#DEFINITION	Reference Metabolome for Coptis chinensis
#IDENTTFIER	RefMeta-Coptis chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Coptis chinensis
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Coptis chinensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
53.03960	3.4
54.33614	0.4
55.01876	1.0
55.05521	80.1
57.03444	36.0
57.07090	0.6
59.05008	19.6
59.06135	0.5
60.04522	2.9
64.20621	0.4
71.01344	0.7
73.02905	2.5
73.06559	50.4
83.04984	12.5
84.09718	0.4
88.20615	0.5
101.02396	0.8
101.06020	100.0
101.10926	0.5
101.11608	0.9
101.13374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.2
51.02383	1.0
53.03954	2.3
53.64958	0.1
55.01877	0.2
71.02963	0.1
77.03927	2.4
79.21974	0.1
80.03497	0.2
81.03410	0.2
81.14704	0.1
95.04320	0.2
95.04962	16.0
102.04679	2.0
103.05465	100.0
105.04513	5.0
106.96918	0.1
112.49677	0.1
120.41331	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03960	3.9
54.80211	0.3
56.34088	0.2
57.03433	0.4
57.07076	1.6
61.50324	0.2
65.03941	1.1
67.05509	6.6
71.02985	0.9
77.03930	2.9
80.03498	1.0
81.03436	0.4
84.15926	0.3
85.06534	1.9
89.04019	0.4
95.04967	24.3
100.02511	0.4
101.19159	0.2
102.04673	1.9
103.05472	100.0
105.04513	8.3
108.93079	0.2
109.17708	0.3
114.14790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
50.87361	0.2
51.02385	1.4
51.21827	0.2
53.03955	4.4
55.05514	0.5
56.96565	0.2
57.03432	0.2
57.07072	1.0
59.05000	1.1
67.05501	0.5
70.01717	0.2
71.02985	1.4
77.03937	2.9
80.03504	2.0
80.04234	0.2
81.03437	0.4
82.01456	0.3
82.69606	0.2
85.02904	0.8
85.06542	0.2
95.04964	24.5
100.02470	2.0
102.04680	2.2
103.05466	100.0
105.04507	9.0
118.03506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
50.87361	0.2
51.02385	1.4
51.21827	0.2
53.03955	4.4
55.05514	0.5
56.96565	0.2
57.03432	0.2
57.07072	1.0
59.05000	1.1
67.05501	0.5
70.01717	0.2
71.02985	1.4
77.03937	2.9
80.03504	2.0
80.04234	0.2
81.03437	0.4
82.01456	0.3
82.69606	0.2
85.02904	0.8
85.06542	0.2
95.04964	24.5
100.02470	2.0
102.04680	2.2
103.05466	100.0
105.04507	9.0
118.03506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03958	4.2
55.01872	0.2
64.48489	0.2
67.05482	0.3
71.02978	0.3
77.03925	3.2
80.03502	0.2
81.03421	0.3
85.02893	0.3
87.13893	0.2
95.04965	25.8
97.19211	0.2
102.04699	2.8
103.05468	100.0
105.04517	9.3
105.05054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0757
Annotation	(S)-(+)-2-Methylbutyric acid
Peak:m/z	Relative Intensity
53.00300	3.1
53.03945	4.1
55.05515	44.9
55.13376	3.4
56.74704	3.8
57.03441	7.5
57.07086	59.6
59.05007	57.7
66.83108	3.9
67.05508	21.1
85.02930	6.4
85.06538	27.2
87.87463	4.0
91.11951	3.3
95.04971	9.6
103.03922	7.9
103.05463	100.0
115.53953	4.9
123.84464	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0759
Annotation	ETHYL PROPIONATE
Peak:m/z	Relative Intensity
51.22530	1.0
53.03957	1.2
55.05523	2.7
56.74206	0.9
57.03447	100.0
57.06823	1.8
57.07084	33.9
57.90358	0.9
59.05004	6.3
61.02911	1.6
65.03950	1.4
66.68673	1.1
67.05525	7.7
71.03002	2.4
71.60040	1.0
73.57571	1.0
80.03493	1.3
82.86290	1.4
85.02892	2.3
85.06549	34.1
94.63686	1.2
95.04984	8.2
103.03934	4.6
103.05475	34.0
103.07597	2.1
103.76430	1.1
112.02876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0758
Annotation	(S)-(+)-2-Methylbutyric acid
Peak:m/z	Relative Intensity
50.66388	2.1
51.89987	2.1
53.00318	2.1
55.05520	81.0
56.98409	2.0
57.03438	5.2
57.07084	100.0
59.04722	3.9
59.05006	86.0
67.05509	28.4
67.05819	3.0
73.06550	9.7
80.16965	2.6
85.02904	9.9
85.06543	43.4
90.51325	2.4
95.04945	5.3
103.05468	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21484	1.3
53.00315	2.5
53.03962	6.5
55.05523	100.0
57.03438	8.3
57.07082	87.8
58.96174	2.2
59.05007	72.8
60.04535	1.8
61.02946	2.6
64.71141	1.6
67.05517	23.1
68.84579	1.8
69.89716	1.8
71.02992	12.6
73.06548	10.5
75.70721	1.5
80.03508	12.2
82.01451	2.1
82.43576	1.7
85.02907	8.7
85.06545	40.0
95.04969	3.6
100.02484	11.8
103.03955	2.7
103.05471	37.0
118.03502	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.73603	0.2
51.02379	0.3
53.03947	1.2
58.65766	0.2
64.47004	0.2
74.76395	0.2
77.03929	1.0
79.05498	18.4
88.04813	0.4
90.77589	0.2
95.04968	7.8
103.05472	12.7
105.04546	3.1
105.07032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.1
51.02386	0.5
53.03959	1.9
55.43945	0.1
58.99590	0.1
60.08159	0.1
61.08492	0.2
64.31273	0.1
77.03925	1.2
79.05497	21.8
81.03427	0.2
88.04829	0.1
95.04970	9.2
103.05470	17.2
105.04559	3.1
105.07034	100.0
105.11058	2.8
116.94340	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01608	0.1
51.02387	0.4
53.03960	1.5
59.57035	0.1
60.08174	0.1
60.77111	0.1
61.08501	0.1
62.77423	0.1
72.36253	0.1
77.03933	1.4
79.05498	22.3
87.04459	0.6
88.04803	0.2
90.16696	0.1
95.04967	10.3
98.59085	0.1
103.05472	16.6
105.04565	3.3
105.07034	100.0
105.11057	2.0
113.75795	0.1
114.35589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.1
51.02387	0.4
53.03960	1.5
59.57035	0.1
60.08174	0.1
60.77111	0.1
61.08501	0.1
62.77423	0.1
72.36253	0.1
77.03933	1.4
79.05498	22.3
87.04459	0.6
88.04803	0.2
90.16696	0.1
95.04967	10.3
98.59085	0.1
103.05472	16.6
105.04565	3.3
105.07034	100.0
105.11057	2.0
113.75795	0.1
114.35589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01627	0.1
51.02391	0.5
53.03955	1.6
54.01923	0.1
60.08176	0.2
61.06788	0.1
64.23216	0.1
64.69340	0.1
66.85413	0.1
67.17904	0.1
71.08601	0.1
77.03931	1.1
79.05493	23.0
80.59940	0.1
81.03426	0.2
88.04808	0.1
91.84301	0.1
95.04964	9.7
103.05466	17.4
105.04553	3.0
105.07029	100.0
105.11067	3.0
121.06523	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.00210	0.2
51.02385	0.4
53.03962	4.3
55.01871	0.4
60.51380	0.2
65.03938	0.5
77.03928	2.6
79.05495	31.6
81.03426	0.4
81.76206	0.2
84.01575	0.4
91.04953	0.4
91.05478	6.4
93.02065	0.4
95.04964	21.9
98.57034	0.2
100.43211	0.2
105.03869	0.5
105.04522	7.1
105.07033	2.4
107.04955	100.0
107.08586	5.9
109.06537	1.8
119.06056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0448
Annotation	Nitrosobenzene
Peak:m/z	Relative Intensity
53.03961	25.1
54.00964	0.5
55.01880	9.3
65.03975	0.6
68.01391	9.8
70.26514	0.6
72.33408	0.7
72.65825	0.6
80.05020	25.3
81.03428	5.1
81.14930	0.6
96.04510	0.8
108.04483	100.0
108.08152	4.8
126.05515	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.79725	0.2
52.82563	0.2
53.03959	2.4
55.01872	2.7
55.05513	1.3
56.52673	0.2
65.03937	1.6
66.04726	0.3
67.05509	17.1
69.07063	0.5
78.97340	0.2
79.05497	18.3
79.12400	0.2
81.03427	2.1
81.07060	27.1
86.00710	3.7
86.50613	0.9
91.05475	5.8
92.20950	0.5
94.04190	1.0
95.01202	1.8
107.04876	0.3
109.02861	1.2
109.06519	100.0
109.10154	18.8
111.96896	2.3
129.97928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00297	0.3
53.03957	2.0
55.05522	7.7
65.03963	1.9
66.54340	0.4
67.05510	100.0
69.07072	2.8
79.05496	6.5
79.48241	0.4
80.06284	0.6
81.03437	3.0
81.07063	29.1
86.00694	9.7
86.50641	2.5
91.05488	0.8
94.07819	0.6
95.01230	2.3
95.51160	0.9
101.19620	0.5
107.08596	4.1
109.02905	1.9
109.06523	10.1
109.07665	2.7
109.10158	89.7
111.96865	3.5
129.97914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52914	0.2
52.62026	0.2
52.80211	0.2
53.00307	0.2
53.03962	0.6
55.05520	6.5
65.03947	2.4
67.05511	100.0
68.05029	0.6
69.07070	3.6
78.62173	0.3
79.05501	3.3
80.06291	1.0
81.07063	25.3
82.06593	1.0
86.00730	0.2
91.05455	0.3
100.64554	0.2
105.07041	0.2
105.92830	0.2
107.08576	2.7
109.02864	0.3
109.06560	2.1
109.07675	3.7
109.10159	83.1
122.97430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.75312	0.2
51.99422	0.2
53.03955	1.3
55.05522	6.5
65.03944	2.5
67.05508	100.0
68.05033	0.7
69.07066	3.5
70.73099	0.3
79.05502	4.4
79.89857	0.3
80.06315	0.5
81.03418	1.4
81.07060	25.8
82.06593	0.7
83.30276	0.3
86.50628	0.5
91.05477	0.4
94.07793	0.4
107.08578	3.0
109.02879	0.5
109.06520	7.9
109.07676	3.9
109.10154	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.97428	0.3
53.03960	2.5
55.05518	6.5
62.57664	0.3
65.03947	3.7
67.05508	100.0
69.07066	2.8
73.30703	0.3
75.50966	0.4
79.05499	8.2
80.06300	0.6
81.03420	5.0
81.07059	31.1
86.00712	4.0
91.05479	0.8
94.07829	0.7
95.01226	0.9
107.08609	3.1
107.20235	0.4
109.02866	2.5
109.06516	23.3
109.07676	1.2
109.10154	93.4
111.96877	0.8
129.97917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03957	1.3
55.05521	9.1
57.08659	0.2
65.03945	2.8
67.05511	100.0
69.07072	4.6
71.09618	0.3
77.00197	0.3
79.05501	5.8
80.06300	0.3
81.03411	2.7
81.07062	33.3
86.00703	5.5
86.50625	0.8
91.05470	0.5
94.04176	0.5
94.07800	0.8
95.01205	1.8
97.51486	0.5
107.08582	3.2
109.02888	0.6
109.06522	11.6
109.07636	2.2
109.10158	89.8
111.96880	1.9
129.97890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	0.5
55.05278	0.4
55.05521	6.0
65.03946	1.9
67.05509	100.0
68.05028	1.5
69.07078	3.1
75.66605	0.2
79.05499	4.3
80.06296	0.4
81.07059	26.9
82.06580	1.0
86.50625	0.3
91.05502	0.3
97.75889	0.2
107.08590	3.9
109.06567	1.8
109.07657	4.7
109.10155	85.4
123.55362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.5
55.05521	3.4
56.96576	100.0
58.50554	4.6
60.04519	4.4
65.19987	2.5
67.51064	38.7
68.42905	2.4
69.35278	2.8
70.01321	3.7
76.51588	63.9
79.01861	84.3
81.03405	4.0
83.04987	13.9
83.06132	3.4
85.52118	30.1
88.01870	5.2
88.02376	85.7
88.53400	2.4
89.92377	2.5
93.03381	3.1
97.02906	14.1
100.02491	32.0
108.53981	4.1
111.04408	6.6
111.05577	12.1
111.07529	5.2
111.09196	4.2
118.03542	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Pyrocatechol
Peak:m/z	Relative Intensity
53.03958	0.7
55.01881	3.0
55.05524	7.4
61.52354	0.4
65.03954	11.8
67.05511	0.9
67.17729	0.5
68.02616	0.6
68.05033	2.5
68.99792	2.1
69.03431	0.6
69.32137	0.5
76.51593	1.0
79.01882	0.7
83.04987	8.5
88.00500	2.9
91.05471	0.8
93.03387	6.3
93.07068	2.2
95.05003	0.5
96.02116	4.4
96.62209	0.6
97.01009	4.9
97.67377	0.5
111.04448	100.0
111.05652	3.0
111.08088	5.7
111.25140	0.5
115.96432	0.9
121.03996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1171
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00322	1.4
53.03955	0.6
53.99820	0.1
55.01873	0.3
55.05520	27.1
56.96577	2.5
57.07081	1.2
57.93575	0.2
60.04527	0.3
60.40499	0.1
65.03930	0.3
65.50056	0.1
67.05516	2.0
67.51067	0.8
67.86092	0.1
68.05022	0.2
69.07072	100.0
76.51598	1.7
79.01865	1.3
83.04973	1.3
83.08624	1.7
85.52103	1.5
87.50537	0.2
88.00475	7.2
88.02367	2.0
88.50359	0.2
93.07076	0.3
93.51939	0.1
97.01003	8.9
97.02897	0.4
99.51288	0.3
106.01519	1.4
111.04446	2.2
111.05587	0.8
111.06406	0.7
111.08073	1.6
111.09216	0.9
111.11724	1.6
115.96429	3.7
116.97207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75591	0.2
67.02979	0.2
68.01385	0.3
69.04555	3.3
70.06597	1.3
74.36233	0.2
80.63096	0.2
94.04064	1.5
95.02451	11.6
104.69340	0.2
112.05088	100.0
124.68923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
50.35430	0.2
50.82363	0.1
54.71056	0.2
55.01883	0.2
56.05043	0.3
67.02966	0.2
67.05499	0.3
68.01383	0.4
68.05018	0.2
69.03439	0.8
69.04548	3.5
69.05357	0.3
70.02949	0.2
70.06586	3.4
70.94272	0.3
70.95856	0.8
81.03432	0.3
84.04504	0.9
84.05297	0.3
84.08130	0.3
89.00240	0.2
93.35322	0.2
94.04049	1.5
94.06585	0.4
95.02447	11.7
95.04834	0.8
95.06091	0.4
96.51209	0.2
98.00754	1.2
98.04531	0.2
98.65698	0.2
102.02213	1.4
112.03975	9.3
112.05081	100.0
112.07568	2.5
112.11220	0.9
117.95977	0.2
120.03270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.076
Annotation	2-Acetyl-1-pyrroline
Peak:m/z	Relative Intensity
53.03961	1.6
56.05064	0.7
56.05847	0.3
56.17631	0.3
59.00805	0.3
65.03951	2.0
67.05516	15.2
68.05035	5.9
69.03438	0.6
69.04552	0.4
70.06600	6.6
70.95876	0.6
71.01389	0.5
77.69399	0.4
78.03468	0.5
84.04531	1.4
84.08164	0.8
89.00261	0.9
93.05798	2.5
94.06573	100.0
95.01351	0.4
95.02468	0.9
95.04952	1.6
96.04501	8.3
98.00768	3.8
112.03973	33.3
112.05092	10.5
112.07611	60.8
112.11233	0.9
115.27160	0.4
117.95994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0917
Annotation	DMPO
Peak:m/z	Relative Intensity
53.45813	0.2
55.01896	0.4
55.05515	1.4
55.07794	0.2
59.52196	0.6
62.02443	0.3
65.76113	0.3
67.05490	0.3
68.05025	1.5
69.07072	4.3
71.02988	17.2
71.99108	2.6
72.04525	0.6
72.08169	0.6
72.93794	6.2
73.02917	0.3
79.05500	6.2
80.03516	10.1
82.53783	1.5
86.06054	1.2
89.04028	1.2
90.77506	0.3
90.94833	1.9
91.00147	1.2
96.04498	0.5
96.08134	4.5
97.06506	1.7
100.00649	1.3
100.02477	0.5
101.55216	0.3
108.95885	0.3
114.02664	0.3
114.03762	3.1
114.05592	2.0
114.09167	100.0
114.12804	9.9
121.95704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
50.12857	0.3
51.22219	0.3
53.00317	0.6
53.03962	4.7
55.05521	100.0
56.96577	1.1
59.05011	0.5
67.23117	0.4
69.03431	5.9
71.04996	11.9
71.06922	2.5
71.07285	0.4
73.02930	0.6
77.80038	0.5
81.03429	2.3
87.04482	7.0
88.93590	0.5
91.05482	12.4
95.06419	0.5
98.97570	1.0
99.04459	16.4
109.98032	0.4
115.05456	29.9
116.06248	1.0
116.98630	0.9
117.05505	53.9
117.07008	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02387	1.0
52.71750	0.6
53.03964	7.7
53.73080	0.6
55.05513	1.5
58.06582	0.7
59.52017	0.6
72.08157	15.8
77.03943	4.3
85.54710	0.6
87.04498	0.7
95.04969	53.5
100.56689	0.6
105.04522	19.4
116.05821	0.8
118.06547	100.0
118.07302	4.8
118.10596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.97464	1.1
53.03959	9.4
53.85479	1.1
55.05519	2.4
56.95985	1.0
58.59537	1.0
62.99656	1.0
67.29569	1.2
72.08161	46.6
77.03928	6.4
84.37207	1.4
87.04450	2.5
95.04971	55.7
97.83595	1.3
100.25005	1.3
105.04517	17.0
118.06543	100.0
118.07268	4.2
118.08682	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	1.2
52.19231	0.7
53.03959	8.7
55.05514	1.0
69.57213	0.7
72.08157	14.8
77.03922	4.7
78.57630	0.7
78.85897	0.8
81.03423	1.3
95.04968	49.1
97.94170	0.8
100.07590	0.8
105.04507	16.6
118.06538	100.0
118.08633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.12415	0.6
51.02389	1.2
53.03959	9.7
55.05519	2.1
63.61811	0.7
72.08160	27.6
77.03912	5.0
87.04449	1.0
89.03513	0.9
95.04971	54.7
105.04517	17.4
118.06547	100.0
118.07309	5.4
118.08582	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	(S)-2-(Dimethylamino)propanoic acid
Peak:m/z	Relative Intensity
53.03960	0.3
55.05516	10.9
56.05047	0.6
56.05847	1.6
56.96577	0.4
57.05804	0.4
58.06604	5.2
58.99866	3.5
59.05003	6.1
59.07383	4.3
62.31154	0.3
69.03433	0.4
69.29192	0.3
70.06563	0.3
72.08155	100.0
75.92559	0.3
77.00913	1.7
78.51495	0.3
82.01448	14.8
87.04478	0.4
91.05463	0.3
95.04957	0.5
100.02478	55.4
100.07610	0.5
101.06013	12.6
118.03513	21.3
118.05821	0.9
118.06533	6.9
118.08645	59.6
118.12264	1.4
123.03999	0.6
133.21713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99850	1.0
59.99947	5.3
62.21866	0.4
64.67628	0.4
69.04558	4.9
73.02723	4.2
77.00903	1.4
78.01003	4.4
79.51454	0.5
80.01358	0.7
82.01432	2.1
82.03252	5.3
83.01508	17.5
84.53516	11.9
86.03462	0.9
87.02465	3.4
91.46795	0.6
92.85367	0.5
93.54036	12.3
93.75534	0.6
96.02983	10.3
98.53230	0.8
99.02509	0.7
100.02493	8.8
101.00914	4.3
101.02560	100.0
105.03491	6.5
107.53766	4.0
116.54302	0.5
118.03514	7.1
118.49134	0.6
119.01920	28.1
119.03606	42.8
129.05112	0.9
130.03479	1.0
131.01962	0.6
136.04588	0.8
137.02965	7.7
137.04628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.60970	0.3
55.05526	4.1
57.03424	0.3
60.10822	0.4
65.03949	8.9
71.23743	0.4
73.08462	0.4
83.04991	1.0
91.05482	100.0
93.07050	0.5
101.02446	0.4
109.40157	0.4
115.05411	0.4
117.07050	3.4
119.04939	83.7
119.08575	15.0
123.61827	0.4
139.82524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.23935	0.6
55.05522	11.5
57.15200	0.5
59.05010	0.7
65.03954	6.6
83.04988	7.0
85.52580	0.8
91.05481	100.0
101.02601	1.1
119.01884	2.8
119.03628	8.8
119.04940	52.2
119.05856	1.8
119.08988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35241	0.2
52.36209	0.2
53.03958	2.3
55.05519	58.2
56.96577	1.8
57.03442	20.2
57.07086	0.2
59.05006	5.4
62.34501	0.2
73.06557	29.0
73.15076	0.2
81.03414	0.4
83.04988	5.7
91.05499	1.6
93.32123	0.2
97.20657	0.2
97.99171	0.8
101.06017	100.0
119.01866	0.2
119.03583	0.2
119.04950	0.4
119.07183	0.3
119.08485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0705
Annotation	(2R,3R)-Nilic acid
Peak:m/z	Relative Intensity
51.35241	0.2
52.36209	0.2
53.03958	2.3
55.05519	58.2
56.96577	1.8
57.03442	20.2
57.07086	0.2
59.05006	5.4
62.34501	0.2
73.06557	29.0
73.15076	0.2
81.03414	0.4
83.04988	5.7
91.05499	1.6
93.32123	0.2
97.20657	0.2
97.99171	0.8
101.06017	100.0
119.01866	0.2
119.03583	0.2
119.04950	0.4
119.07183	0.3
119.08485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
55.05521	4.6
59.34950	0.5
63.02341	0.7
64.69581	0.5
65.03954	6.7
66.77250	0.5
73.08488	0.6
79.05493	1.0
80.12481	0.5
86.85002	0.6
87.53492	0.7
91.05482	96.3
93.07022	1.2
95.04961	1.0
96.05334	1.1
101.06001	2.2
103.05473	3.2
104.06247	3.6
106.26414	0.5
109.06537	0.7
113.28538	0.6
117.07012	12.4
119.04944	56.7
119.06797	2.6
119.08579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.1
54.20276	0.0
55.05518	0.3
56.96576	2.1
58.50553	0.1
58.99866	0.3
59.96185	0.3
59.99983	0.1
60.04538	0.9
60.46180	0.1
60.95860	9.5
60.99623	6.7
64.97754	0.1
67.51067	1.0
67.84711	0.1
68.14758	0.1
68.33285	0.1
69.03434	0.1
70.01337	0.3
74.03246	0.1
74.06096	0.1
76.51590	3.3
77.00919	0.3
78.00992	0.1
78.95278	0.1
79.00665	5.5
79.01859	1.1
81.03424	0.4
82.01460	0.9
84.01203	18.5
85.52107	1.7
86.52699	0.3
87.01384	0.1
87.53474	0.1
88.02373	3.0
88.03550	0.3
97.01099	0.1
97.01729	1.2
97.02386	0.1
97.02885	2.2
97.99169	0.3
98.97604	0.1
100.02486	5.4
101.02586	0.3
101.97216	0.4
102.02240	100.0
102.55810	0.1
104.02645	0.5
106.03402	0.1
108.54010	0.7
111.56340	0.1
111.72561	0.1
116.00258	0.5
116.03786	0.1
118.03516	2.2
119.01895	0.2
119.03686	0.1
119.98258	0.4
120.02019	9.5
120.03276	39.8
121.03570	0.1
122.02396	0.1
122.03728	0.3
125.03809	1.3
134.01247	0.4
134.04825	0.1
136.04553	0.1
137.99303	0.3
138.03073	3.0
138.04297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0446
Annotation	Anthranil
Peak:m/z	Relative Intensity
53.67234	0.2
56.05035	0.3
62.36956	0.2
65.03951	15.8
74.06078	0.9
82.41238	0.2
84.53155	0.2
87.32892	0.2
88.00490	0.3
88.76558	0.2
91.05492	0.8
92.05007	83.3
93.07030	0.3
96.11840	0.2
98.98717	0.2
103.05473	2.1
105.00513	0.2
110.06042	1.9
115.96426	0.2
118.07350	0.2
120.04469	100.0
120.08123	7.9
120.08939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79358	0.5
53.03953	2.5
54.08787	0.5
55.01877	0.9
55.37411	0.4
57.03433	1.0
57.07080	0.9
59.46494	0.5
63.38768	0.5
65.03949	19.2
67.05503	0.7
75.73029	0.5
77.03934	2.3
79.05499	2.1
85.06547	5.9
91.05478	19.6
93.03408	7.0
93.04520	2.2
93.07043	34.5
95.04965	13.8
98.00782	0.6
103.05473	26.3
103.06162	1.0
105.04509	3.0
105.07061	1.3
109.11316	0.7
111.04436	5.7
117.10592	0.5
121.02863	100.0
121.03973	17.5
121.06503	85.2
121.10091	4.5
130.92686	0.5
138.33974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02392	0.6
53.03959	2.7
55.01871	0.7
55.05519	0.7
67.05515	2.1
72.52637	0.4
77.03945	0.6
79.05503	7.3
80.05022	0.7
80.41231	0.4
91.05485	26.7
93.07049	100.0
94.82708	0.5
95.04976	14.2
103.05446	4.2
105.04527	5.6
105.07046	3.7
121.02865	0.9
121.05633	1.0
121.06512	29.9
121.10146	11.5
123.08016	0.7
139.55812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.86578	0.2
51.02380	0.4
53.03960	3.1
55.01868	0.6
60.16357	0.2
70.39827	0.2
75.29592	0.3
77.03925	2.2
79.05489	0.6
82.94296	0.3
88.56674	0.3
91.05483	23.4
93.07043	33.3
95.04465	0.3
95.04964	12.2
103.05470	32.5
105.04514	4.0
116.60146	0.3
121.06505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
52.34900	0.5
53.03946	3.7
55.01876	0.9
55.05506	1.2
57.02073	0.5
57.03432	2.7
57.07083	14.9
65.03948	5.8
67.05521	7.2
75.04480	2.8
77.03938	0.8
79.05487	3.7
85.06547	71.2
91.05479	27.0
93.03397	0.5
93.07044	46.8
95.04970	15.0
98.00817	0.8
103.05470	26.5
105.04510	4.5
105.07036	2.7
111.04427	0.6
121.01995	0.9
121.02862	24.3
121.04047	5.6
121.06505	100.0
121.10131	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
52.34900	0.5
53.03946	3.7
55.01876	0.9
55.05506	1.2
57.02073	0.5
57.03432	2.7
57.07083	14.9
65.03948	5.8
67.05521	7.2
75.04480	2.8
77.03938	0.8
79.05487	3.7
85.06547	71.2
91.05479	27.0
93.03397	0.5
93.07044	46.8
95.04970	15.0
98.00817	0.8
103.05470	26.5
105.04510	4.5
105.07036	2.7
111.04427	0.6
121.01995	0.9
121.02862	24.3
121.04047	5.6
121.06505	100.0
121.10131	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.69932	0.6
53.03941	1.1
55.05519	7.3
61.67346	0.5
63.95771	0.6
67.05511	17.1
79.05498	57.7
80.05000	1.0
80.16170	0.7
83.50618	0.7
85.50351	0.7
85.84052	0.6
91.05476	12.3
93.07042	100.0
95.04971	6.3
103.05465	4.5
105.04518	1.6
105.07028	10.8
119.08552	1.2
119.23118	0.7
121.04041	1.0
121.06503	9.9
121.10142	97.2
123.08101	1.6
133.07565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	0.4
53.18088	0.2
55.05516	0.6
62.49972	0.2
65.03931	0.4
67.05524	0.3
77.03923	0.6
79.05497	12.5
91.05473	5.3
93.07041	18.0
95.04956	4.2
103.05462	6.2
105.04531	1.6
105.07034	63.8
106.07822	4.8
109.73892	0.4
119.08578	10.6
120.05756	0.3
121.02826	0.3
121.06522	4.9
121.10140	100.0
123.08069	15.7
131.53133	0.3
133.07608	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Cumene
Peak:m/z	Relative Intensity
53.03952	0.7
55.05520	4.2
67.05510	30.9
67.08711	0.3
74.03297	0.4
79.05499	67.0
80.65183	0.5
89.36352	0.3
89.37001	0.4
91.05484	5.3
93.07045	78.7
95.04956	3.6
103.05451	1.0
105.04522	0.8
105.07033	3.1
119.08579	0.7
121.06557	4.5
121.10141	100.0
122.58529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0966
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
51.02380	0.1
53.03952	0.1
53.23970	0.1
56.96574	1.9
58.50551	0.1
67.05500	0.1
67.51060	0.7
70.01308	0.1
76.51208	0.1
76.51588	0.7
77.03944	0.2
79.01858	2.6
79.05494	2.6
87.43658	0.1
88.02374	3.9
90.52670	0.1
92.21011	0.1
94.06564	0.7
94.07378	0.1
95.04962	0.8
97.02880	0.4
103.05473	1.7
104.05762	0.1
105.07034	100.0
112.61123	0.1
114.50332	0.1
122.06031	1.2
122.06917	0.4
122.09677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0966
Annotation	N,N-Dimethylaniline
Peak:m/z	Relative Intensity
51.33993	0.1
53.03941	0.2
54.88884	0.1
55.03620	0.2
56.96342	0.1
56.96581	2.8
58.50539	0.2
58.99583	0.7
62.93000	1.9
65.03939	0.3
67.51070	1.4
67.61981	0.2
68.23421	0.2
76.02242	1.7
76.51582	0.9
77.89706	0.2
79.01853	4.0
79.05486	1.1
79.16064	0.2
80.93183	0.2
80.94975	0.4
81.07059	0.2
86.99052	0.4
88.02372	6.2
89.16205	0.2
92.05807	1.0
94.04162	0.3
94.06565	0.4
94.07371	1.5
94.69744	0.2
95.04964	0.4
96.05317	0.3
97.02877	0.9
98.73820	0.2
104.05806	1.3
105.00070	0.2
106.06557	0.2
107.07323	0.4
121.08862	0.2
121.96626	2.6
122.06007	2.4
122.06855	4.8
122.09664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
58.99881	1.0
62.99091	0.5
64.10983	0.4
67.05495	2.1
68.33102	0.4
71.62862	0.4
74.49551	0.4
77.03940	0.8
80.05025	0.8
82.01450	21.2
84.28559	0.4
95.04966	100.0
96.04543	0.4
100.02483	53.7
105.03777	1.8
105.04530	3.6
118.03517	20.3
123.04430	47.1
123.05537	6.6
123.09186	2.0
135.56757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47797	1.3
56.36215	1.2
58.99856	1.3
61.69765	1.4
65.54958	1.3
67.09722	1.6
82.01445	10.8
100.02486	100.0
118.03524	52.0
123.05542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.4
53.03954	2.3
55.01873	0.4
56.96573	2.7
57.07085	0.2
65.03959	0.2
65.35434	0.2
67.05507	4.0
67.51064	1.1
76.51590	1.0
77.03932	1.5
79.01855	2.7
79.05502	0.5
79.52042	2.1
80.05032	1.9
81.03430	0.4
81.06622	0.3
81.07065	5.3
82.01448	1.2
87.79810	0.2
88.02375	4.6
88.52602	1.7
91.05469	0.3
93.07046	0.3
95.04969	100.0
95.08601	3.0
96.04499	0.3
100.02487	4.7
105.04514	4.6
106.35813	0.3
118.03504	1.7
123.04436	44.6
123.05540	15.6
123.08054	4.8
123.09089	0.5
123.11716	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03949	2.3
58.20308	0.6
67.05494	1.1
77.03940	1.3
80.04983	0.6
82.01443	5.9
91.36481	0.6
95.04965	100.0
100.02480	17.7
105.03871	0.7
105.04529	4.0
118.03516	5.5
123.04426	42.2
123.05520	7.4
123.09181	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03951	0.2
54.52539	0.2
56.96561	0.2
67.05481	0.3
80.05020	12.6
82.01451	1.6
85.67101	0.2
94.83456	0.2
95.04971	1.8
95.06030	0.2
96.04480	3.1
100.02483	5.7
106.02915	0.9
118.03542	1.6
123.05547	100.0
124.03955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73857	0.7
67.08359	0.8
73.32876	0.9
76.02676	1.3
78.00995	0.9
80.05028	12.7
82.01426	1.3
83.01534	6.2
84.04468	1.0
84.74297	0.9
89.53227	1.4
92.03485	2.3
96.04485	8.1
100.02470	7.8
101.00883	4.8
101.02557	35.2
101.04006	2.3
107.03246	1.9
107.21639	1.1
118.03526	5.0
119.01921	27.8
119.03612	17.4
124.03955	100.0
124.05879	19.8
124.07588	32.8
124.08701	12.7
133.03464	3.6
137.02959	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21694	0.1
53.84610	0.1
54.78370	0.1
56.50415	0.1
56.96572	0.2
58.28559	0.1
62.50562	0.1
63.89169	0.1
68.05025	0.2
77.56926	0.2
80.05025	3.4
81.04789	0.4
81.05357	10.8
81.05828	0.4
82.06566	0.2
89.52354	2.3
94.07404	0.3
96.04477	1.6
96.08120	0.4
97.04817	2.5
98.52889	1.9
100.02515	0.2
101.02587	0.9
101.03181	0.2
104.05098	0.2
104.05807	0.2
107.03253	1.3
110.03626	0.6
112.03996	0.4
119.01929	1.2
119.03652	0.2
124.03974	6.5
124.05914	100.0
124.07553	5.1
125.04316	1.1
140.03415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	Orcinol
Peak:m/z	Relative Intensity
53.03941	0.6
55.05513	2.4
56.05041	1.5
63.12201	0.6
69.07065	2.7
70.96222	0.6
71.01356	4.8
79.05492	3.6
81.07049	1.0
82.06581	5.1
83.04990	0.8
83.06102	3.3
84.04505	1.4
84.05626	3.1
84.06424	1.4
84.08163	1.0
85.07637	0.7
95.05006	0.7
96.06960	0.6
97.06532	46.8
107.04977	4.6
107.08590	0.8
113.64301	0.7
125.05993	100.0
125.07043	5.6
125.08138	9.5
125.09644	6.9
125.10760	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23114	0.3
51.11497	0.4
52.45908	0.4
53.91098	0.3
55.01873	2.1
55.05506	2.8
65.03947	21.6
67.05505	1.9
69.03436	0.8
69.07069	11.4
72.14941	0.4
79.01845	0.5
79.05500	17.0
81.03416	1.6
82.06584	11.9
83.04978	0.6
83.06124	0.4
93.03411	18.9
95.04964	1.0
97.02892	4.8
97.06512	4.2
102.02211	0.9
107.04951	0.8
107.08602	0.5
108.04473	0.7
110.03661	9.1
111.04439	36.5
125.02339	2.6
125.05991	100.0
125.06997	4.0
125.09595	1.5
125.10709	1.7
132.26250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	Orcinol
Peak:m/z	Relative Intensity
55.01857	0.8
55.05517	1.9
55.69841	0.7
60.95871	0.9
61.06441	0.7
67.04243	1.1
67.05518	0.8
69.03410	0.9
69.07080	1.8
71.01347	4.1
79.05492	6.1
81.01530	1.2
81.07063	1.9
82.06583	75.4
83.05027	1.0
83.06131	1.0
84.04498	4.7
90.02039	0.9
95.05006	1.1
97.02908	3.8
97.06528	50.2
97.10183	0.9
102.02241	4.4
107.04957	1.7
107.06104	4.4
107.08622	1.4
108.04472	6.7
113.45457	0.9
115.53127	0.9
120.03265	1.6
125.02358	1.7
125.04402	3.5
125.05998	100.0
125.07091	15.8
125.08067	3.1
125.09584	7.1
125.10572	0.8
140.53253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0599
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
50.23114	0.3
51.11497	0.4
52.45908	0.4
53.91098	0.3
55.01873	2.1
55.05506	2.8
65.03947	21.6
67.05505	1.9
69.03436	0.8
69.07069	11.4
72.14941	0.4
79.01845	0.5
79.05500	17.0
81.03416	1.6
82.06584	11.9
83.04978	0.6
83.06124	0.4
93.03411	18.9
95.04964	1.0
97.02892	4.8
97.06512	4.2
102.02211	0.9
107.04951	0.8
107.08602	0.5
108.04473	0.7
110.03661	9.1
111.04439	36.5
125.02339	2.6
125.05991	100.0
125.06997	4.0
125.09595	1.5
125.10709	1.7
132.26250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03955	1.1
55.01881	11.9
55.05520	68.7
57.03437	2.2
57.55368	0.5
59.04985	0.5
67.05511	12.4
68.01308	0.6
69.03429	6.1
69.07072	17.9
79.05070	1.1
79.05495	18.0
81.07062	33.7
82.06578	13.9
83.04990	11.4
83.05450	0.9
83.08617	7.9
84.04497	2.3
90.02039	0.8
90.73878	0.5
91.05489	2.7
95.08601	2.9
97.02879	1.1
97.06515	2.6
97.10170	34.7
99.27835	0.6
105.07018	2.4
107.04953	0.6
107.06103	1.0
107.08596	20.5
108.04495	0.6
109.06514	1.0
119.00303	0.6
119.06076	0.7
121.03575	0.5
125.02412	0.8
125.06056	3.9
125.07192	4.0
125.09630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.02141	1.3
52.37044	1.3
55.01877	3.6
55.05518	21.8
59.72907	1.5
65.12643	1.5
67.05511	2.9
69.03440	16.8
69.07053	3.9
71.34284	1.8
78.81962	1.9
79.05502	32.4
81.07068	28.4
82.06580	26.2
83.04543	2.4
83.04991	49.6
83.08605	8.7
85.69216	1.7
91.04965	2.1
91.05441	13.1
93.03413	1.7
97.02894	17.1
97.06523	12.6
97.07663	1.5
97.08453	7.1
97.10093	1.7
102.02245	8.3
105.07018	7.9
107.06094	2.1
107.08595	74.9
109.06508	4.1
113.04305	6.5
116.20768	2.0
120.03268	2.5
125.02349	7.4
125.04271	40.2
125.06029	21.2
125.07010	14.5
125.08071	7.3
125.09633	100.0
125.10574	3.2
141.03746	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	5.5
57.03433	8.8
66.34456	6.4
77.52811	5.8
78.97953	7.3
81.03407	6.9
81.04575	7.2
84.04505	28.1
85.02892	10.3
97.02896	7.6
98.06036	30.2
100.02477	8.0
102.46627	6.8
103.02502	7.2
105.43175	6.4
108.04474	50.3
109.07628	87.5
111.35713	7.6
118.03509	12.2
121.01646	30.3
126.05528	100.0
126.09114	12.0
126.10262	29.0
127.66882	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0551
Annotation	3-Hydroxyaminophenol
Peak:m/z	Relative Intensity
53.03955	1.1
55.01885	0.3
55.05523	0.5
55.37930	0.2
56.05043	1.0
57.03437	1.1
59.91282	0.2
66.81653	0.2
70.02947	0.2
70.06583	1.2
75.04453	0.3
80.05031	2.1
81.03427	0.4
82.06582	0.4
83.06891	1.6
84.04037	0.4
84.04509	7.6
84.08115	0.3
98.06064	1.9
98.07174	0.3
108.04482	30.2
109.04004	0.4
114.04740	0.2
119.52828	0.2
119.81157	0.2
126.05522	100.0
126.06596	10.5
126.09144	1.0
126.12832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0662
Annotation	N(4)-methylcytosine
Peak:m/z	Relative Intensity
50.41352	0.2
57.04564	14.4
57.04845	0.6
57.08747	0.2
67.34998	0.2
71.06089	0.3
81.04543	10.4
98.07176	8.6
98.07781	0.3
126.06632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46040	0.2
55.05518	6.4
56.05035	1.4
58.06594	0.3
69.03439	0.3
70.06587	1.3
72.50869	0.2
79.05469	0.7
80.05023	0.3
81.06604	0.5
81.07060	8.1
83.04977	0.4
83.08624	4.3
84.04505	0.4
84.08154	1.4
85.02892	0.4
85.06573	0.3
89.17261	0.3
91.05431	0.5
96.04494	0.4
97.05264	4.5
98.06052	3.8
98.09695	3.7
101.06503	0.3
108.04487	4.1
108.08115	8.2
109.06519	13.5
126.05518	3.7
126.09149	100.0
134.90381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0155
Annotation	Ethyl dihydrogen phosphate
Peak:m/z	Relative Intensity
67.05503	0.3
67.44185	0.2
71.04988	0.3
75.68652	0.2
98.62433	0.2
98.98466	100.0
109.02882	0.4
109.10135	0.4
111.27775	0.3
116.99504	1.5
127.03917	3.9
144.92650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.02748	0.9
53.03965	13.2
55.01884	10.9
57.03431	4.9
69.03434	47.4
71.04998	18.1
81.03427	62.0
81.07050	6.1
83.01344	8.0
83.04970	1.4
85.02907	5.4
85.06535	1.4
86.06065	2.3
97.02898	14.5
98.98448	1.3
99.04456	13.7
99.08068	1.7
109.02122	1.7
109.02885	53.5
109.06525	1.3
127.03919	100.0
127.07545	1.1
127.11196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.4
82.06596	15.6
83.08632	2.4
86.06060	2.1
87.04429	2.2
96.27720	1.5
100.07636	7.5
110.06036	7.6
110.09676	3.9
112.59047	1.6
128.04277	14.8
128.06213	98.5
128.07092	31.6
128.10713	100.0
128.14345	44.2
145.86513	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	15.4
57.03443	0.6
57.07083	5.2
59.04991	0.4
67.05505	0.9
68.00735	0.4
69.07072	100.0
73.06577	0.4
83.05001	0.6
83.08629	8.9
85.10198	1.6
86.00710	1.0
97.02903	1.0
101.06023	0.7
111.04461	0.4
111.11708	5.0
128.06262	1.9
129.05508	1.0
129.07018	6.2
129.11086	0.8
129.12758	0.5
129.13866	0.8
134.58928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1275
Annotation	6-Methyl-5-hepten-2-ol
Peak:m/z	Relative Intensity
55.05521	15.4
57.03443	0.6
57.07083	5.2
59.04991	0.4
67.05505	0.9
68.00735	0.4
69.07072	100.0
73.06577	0.4
83.05001	0.6
83.08629	8.9
85.10198	1.6
86.00710	1.0
97.02903	1.0
101.06023	0.7
111.04461	0.4
111.11708	5.0
128.06262	1.9
129.05508	1.0
129.07018	6.2
129.11086	0.8
129.12758	0.5
129.13866	0.8
134.58928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	15.4
57.03443	0.6
57.07083	5.2
59.04991	0.4
67.05505	0.9
68.00735	0.4
69.07072	100.0
73.06577	0.4
83.05001	0.6
83.08629	8.9
85.10198	1.6
86.00710	1.0
97.02903	1.0
101.06023	0.7
111.04461	0.4
111.11708	5.0
128.06262	1.9
129.05508	1.0
129.07018	6.2
129.11086	0.8
129.12758	0.5
129.13866	0.8
134.58928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
62.38424	0.4
62.62500	0.4
63.31553	0.4
66.66702	0.4
83.91900	0.4
84.04510	13.6
84.08144	1.9
87.00471	0.5
95.04926	0.5
102.05539	0.6
103.05490	2.5
130.04967	2.8
130.06528	100.0
130.15919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	1723-00-8
Peak:m/z	Relative Intensity
54.03426	0.1
56.05042	2.8
60.05655	4.6
67.05501	0.2
70.06595	100.0
71.04994	8.1
84.04507	73.6
84.08144	94.1
85.02906	0.9
85.06564	0.2
86.50635	0.2
88.07609	1.3
102.05528	0.6
112.08727	19.2
129.46768	0.1
130.03983	0.2
130.04997	13.3
130.08633	36.3
130.09740	11.6
130.12259	2.8
130.15935	0.2
139.57057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	D-Pipecolic acid
Peak:m/z	Relative Intensity
51.66702	0.1
55.05518	0.2
56.05040	3.0
60.04517	0.2
60.05657	2.1
67.05521	0.2
70.02950	0.1
70.06595	26.3
70.35212	0.1
70.94301	0.1
71.04997	4.3
75.20536	0.1
80.25542	0.1
84.04510	80.1
84.08146	100.0
85.02907	2.4
86.50622	0.2
88.03977	0.2
88.07641	0.3
102.05563	1.5
104.80614	0.1
109.19706	0.1
112.03987	0.5
112.07622	0.2
112.07875	0.2
112.08715	3.7
117.90786	0.1
130.05002	16.7
130.08649	40.9
130.09738	5.0
130.12285	0.8
130.15910	0.2
130.18713	0.1
141.78923	0.1
146.06177	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
53.03944	0.2
55.38769	0.2
63.29867	0.1
77.03935	0.3
88.00492	0.3
92.75147	0.1
95.04964	2.6
96.84931	0.2
97.01023	0.3
102.04688	0.4
103.05473	100.0
105.04507	1.2
126.55702	0.2
127.40458	0.2
131.04932	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03962	0.4
71.94116	0.6
76.51581	0.1
77.03937	0.3
88.00486	1.9
91.05506	0.3
95.04976	3.0
96.24737	0.2
97.00999	2.2
99.51259	0.2
102.04665	0.3
103.05470	100.0
105.04523	0.9
108.51866	0.2
113.05993	0.2
115.96482	0.3
122.43078	0.2
131.04924	25.5
131.08560	1.6
131.16273	1.7
133.97516	0.2
134.62904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
51.55759	0.1
53.03956	0.1
57.03434	0.3
63.83356	0.2
68.60770	0.2
70.11354	0.2
71.94094	1.6
75.10053	0.2
77.03922	0.4
85.04822	0.3
87.00465	0.3
87.50533	0.4
88.00491	4.6
88.02380	0.2
91.05479	0.3
95.04959	2.1
96.01021	0.2
97.01003	6.8
97.75446	0.2
99.51257	1.4
101.58936	0.1
102.04685	0.3
103.05469	100.0
105.04482	1.2
106.01521	1.1
108.51808	0.7
112.96705	0.3
115.96468	1.4
116.97219	0.3
131.04927	27.1
131.08577	0.8
131.97435	0.2
133.97513	0.9
138.97995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
56.96566	0.4
58.38863	0.1
59.48281	0.1
59.65908	0.1
71.04999	0.2
77.03928	0.3
85.04827	0.2
85.06505	0.3
91.05437	0.1
95.04968	2.5
97.00966	0.1
99.04459	0.2
102.04713	0.2
103.05470	100.0
105.04509	0.9
120.26781	0.1
131.04929	3.4
131.05952	0.3
131.06923	1.0
131.08542	0.2
131.11815	0.3
140.59210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
56.96566	0.4
58.38863	0.1
59.48281	0.1
59.65908	0.1
71.04999	0.2
77.03928	0.3
85.04827	0.2
85.06505	0.3
91.05437	0.1
95.04968	2.5
97.00966	0.1
99.04459	0.2
102.04713	0.2
103.05470	100.0
105.04509	0.9
120.26781	0.1
131.04929	3.4
131.05952	0.3
131.06923	1.0
131.08542	0.2
131.11815	0.3
140.59210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03959	0.2
54.23720	0.2
54.27393	0.2
60.13621	0.2
66.41846	0.2
78.97749	0.2
80.12695	0.2
85.44731	0.2
86.81316	0.2
87.50542	0.2
91.05482	0.4
95.04977	2.6
103.05472	100.0
105.04529	1.1
107.65687	0.2
131.04929	25.2
131.08554	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.4
60.04531	1.5
67.51052	0.4
76.51583	4.1
78.99944	0.3
82.47175	0.3
85.04849	0.7
85.52104	2.9
87.00468	7.7
87.50645	4.6
88.00483	15.2
88.02364	3.8
90.08385	0.4
91.05480	24.8
96.00983	1.7
96.51108	0.7
97.01003	15.4
97.02893	3.1
98.51216	0.5
99.01377	0.6
99.51275	5.6
103.05462	11.1
106.01538	0.6
108.51777	1.9
109.14265	0.4
111.02023	0.4
113.96381	2.1
115.05476	0.5
115.96427	3.3
116.06245	5.7
116.97234	0.8
123.17541	0.3
128.06244	0.3
129.06999	5.9
131.04936	4.3
131.08563	100.0
131.97386	0.8
133.03168	0.4
133.97473	2.9
137.98897	0.3
138.97998	0.7
147.99118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.53963	0.2
57.03444	0.5
58.06610	0.3
65.42995	0.2
69.07086	0.6
72.93794	3.7
77.03950	0.2
84.04556	0.3
86.06063	0.4
86.09710	16.4
88.00494	0.6
88.50671	0.4
89.00246	2.0
90.94829	1.2
91.05476	0.4
95.04983	2.0
97.00990	0.6
97.51168	0.5
98.00784	2.6
104.05000	20.1
105.96985	0.2
107.01305	0.4
110.59192	0.2
112.55441	0.2
113.96418	1.2
115.05428	0.3
117.05764	1.3
117.96034	0.3
128.04016	0.2
131.97499	0.5
132.04457	100.0
132.08083	8.6
153.74692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
50.64321	0.5
54.35371	0.5
57.03443	0.5
58.86947	0.5
72.93797	10.7
80.33797	0.5
86.09715	6.8
88.00483	1.0
88.50662	1.1
89.00259	3.6
90.94833	3.7
91.05495	1.0
97.01015	3.2
98.00790	3.9
100.51067	1.1
103.05464	0.7
104.05089	0.6
104.05801	3.3
105.07029	1.9
113.96420	5.5
115.05479	4.7
117.05766	13.6
117.95990	0.8
128.93018	0.6
130.06555	1.2
131.07339	0.8
131.97458	0.7
132.04462	2.5
132.06514	2.5
132.08093	100.0
134.92924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03952	0.3
53.52718	0.2
55.05516	2.6
55.13301	0.2
56.05030	0.3
56.96572	0.5
57.03433	1.2
58.02961	0.3
58.06594	0.6
62.06064	0.3
64.81318	0.3
69.07077	3.8
72.08157	33.5
72.93407	0.4
72.93792	8.5
79.05494	0.5
83.06332	0.3
84.04504	0.6
86.06060	1.4
86.09707	46.9
87.04457	0.3
89.00259	0.2
90.94834	3.1
91.05482	4.8
92.21407	0.4
95.04971	0.4
98.00751	0.4
103.05461	2.9
104.05064	0.4
104.05797	10.6
105.07034	8.7
105.34085	0.3
108.95844	0.3
113.96406	3.8
114.05559	0.6
114.09146	0.3
115.03761	0.2
115.05451	6.8
117.05755	8.6
130.06528	32.6
131.07285	0.4
131.97455	1.6
132.04424	1.6
132.06686	3.9
132.08087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43407	0.2
57.16110	0.2
59.34874	0.2
69.07072	2.6
72.93791	1.8
74.66372	0.2
86.09706	100.0
87.59638	0.2
90.94165	0.2
91.05482	0.3
109.04091	0.3
113.96409	1.2
117.01474	0.2
121.19457	0.2
131.97464	0.2
132.04448	0.5
132.06551	0.3
132.08054	0.8
132.10178	2.2
141.52609	0.2
148.28688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
61.30130	0.2
61.85168	0.2
67.93259	0.2
69.07075	2.0
72.93793	0.9
75.06337	0.2
86.06080	0.5
86.09711	100.0
105.76073	0.2
108.20581	0.2
124.08765	0.2
132.08115	0.2
132.10208	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
53.03944	0.4
55.01880	3.4
55.05505	0.4
65.30131	0.4
69.03429	45.5
71.01351	14.0
71.04967	0.6
73.02915	23.0
74.02429	0.4
74.14619	0.3
85.02898	1.7
87.04460	0.9
87.10062	0.9
89.00231	0.4
89.02384	8.0
89.50292	0.7
91.05475	2.5
92.20914	0.4
97.02888	100.0
98.00762	0.5
98.50775	0.7
99.00623	0.5
103.05460	0.4
105.07034	11.3
115.03924	4.8
131.08580	0.4
133.02861	0.8
133.04965	20.9
133.06496	4.6
133.07628	1.7
133.08478	1.3
133.10126	10.4
133.11124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.36569	0.4
54.12042	0.5
55.01886	0.6
71.04982	0.6
74.02451	10.9
79.05492	2.8
85.99022	0.4
86.00378	0.5
87.05598	4.2
88.03999	0.9
90.04704	0.6
90.83074	0.4
91.05463	2.4
91.19592	0.5
94.09660	0.6
98.00813	0.7
98.50873	0.5
103.05449	3.4
105.03368	0.5
105.07034	34.0
116.03436	1.0
118.04155	6.8
133.06494	100.0
133.10103	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.00180	0.4
54.87427	0.4
55.05512	1.1
57.61965	0.5
60.93151	0.5
62.37151	0.4
65.03947	0.8
69.98451	0.4
70.06618	0.6
74.06085	1.3
76.07600	0.6
79.05505	2.4
80.49934	0.5
80.99583	0.7
88.07626	2.4
88.19272	0.5
89.00265	12.9
89.50399	11.7
90.00132	10.2
91.05483	100.0
92.05821	1.0
92.07080	0.6
98.00780	15.0
98.50886	16.3
99.00652	15.7
100.51021	4.3
101.01167	5.2
101.50904	4.6
104.06245	7.4
105.01589	0.6
105.07039	43.8
107.01315	1.3
107.51357	2.7
108.00436	0.5
108.01177	2.7
109.51562	3.5
110.01665	3.8
110.06098	0.7
110.51476	3.8
112.51951	0.6
116.07104	2.1
117.95971	3.9
118.96035	2.1
118.96844	0.7
119.95742	2.3
120.96499	1.3
131.08563	2.6
133.06459	3.7
133.07632	7.0
133.10143	55.8
135.97034	2.3
140.97586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05513	0.4
55.31490	0.3
60.30186	0.3
67.42914	0.3
79.05482	0.8
91.04964	0.4
91.05482	8.7
92.14899	0.4
93.07040	2.2
97.02939	0.4
105.04600	0.4
105.07032	32.7
115.05451	0.9
117.07007	1.7
118.07770	2.6
131.08549	5.4
133.02792	0.4
133.06514	7.5
133.10129	100.0
153.12943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02368	0.3
51.78868	0.2
52.56552	0.2
55.01874	0.5
55.05518	0.7
59.12882	0.3
69.05279	0.2
74.02435	0.4
77.03936	1.3
79.05498	8.2
81.03400	0.3
87.05611	0.5
87.10036	1.2
89.06023	0.5
89.23298	0.3
90.00137	0.5
91.05476	6.4
93.07039	0.7
95.04969	3.2
98.00797	0.4
98.50856	0.7
99.00647	1.3
103.05472	4.3
105.03400	3.3
105.04500	0.7
105.07031	39.1
109.42531	0.3
115.05444	1.7
117.07015	0.4
118.04114	0.6
118.07787	0.6
124.73972	0.3
131.08528	2.8
133.02864	4.7
133.06490	100.0
133.10123	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
56.84416	0.2
56.96574	3.6
64.32658	0.2
70.02959	3.1
70.56374	0.2
74.02447	100.0
75.02775	0.6
86.52773	0.2
87.05605	0.2
88.03996	58.3
88.05909	1.0
93.53495	0.4
97.74030	0.2
100.02515	0.3
102.02415	0.4
103.73876	0.2
111.02945	0.4
116.03467	5.6
116.49913	0.3
119.01920	1.0
122.53739	0.3
134.02957	0.6
134.04521	3.3
134.06081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0601
Annotation	Indolin-2-one
Peak:m/z	Relative Intensity
54.17129	0.3
56.96571	4.0
57.93563	0.4
63.04123	0.3
65.03942	2.3
70.06578	0.4
74.62827	0.4
74.93831	9.8
77.03949	0.3
78.04698	0.5
79.05482	2.8
88.07652	1.5
91.05479	34.3
92.94867	4.6
95.04932	0.6
98.16706	0.4
105.03389	0.8
105.07050	0.4
106.04191	0.5
106.06558	28.6
107.04943	2.3
109.06517	14.2
115.96442	8.8
116.04964	3.0
116.97209	0.8
117.83266	0.4
119.06071	6.6
132.04471	0.5
133.97481	2.5
134.06017	100.0
134.09639	3.6
134.10503	0.7
147.03905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0713
Annotation	5-Methyl-1H-benzotriazole
Peak:m/z	Relative Intensity
50.75233	0.1
51.42025	0.2
56.96560	0.4
58.47519	0.1
74.02437	1.1
74.72313	0.2
74.93842	0.3
87.17661	0.2
88.03965	0.4
88.07610	1.1
93.04520	1.2
93.55112	0.2
94.40552	0.2
98.43968	0.2
104.65913	0.2
111.05553	0.2
112.37834	0.2
134.07137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98688	0.1
56.96573	13.1
57.97340	0.1
61.21786	0.1
62.25167	0.1
64.25437	0.1
65.88464	0.1
71.02984	0.9
71.95261	0.7
72.31204	0.1
79.05499	0.3
80.03526	0.5
82.53793	0.1
91.05462	0.1
91.54291	0.1
93.07034	0.2
96.50582	0.3
98.97585	100.0
100.53327	0.1
107.04962	0.1
107.08580	0.7
112.03231	0.2
116.98619	83.3
118.99092	0.1
121.01625	0.1
134.99657	44.1
135.04387	0.4
135.06572	0.1
135.08078	0.2
135.11685	0.4
140.00189	1.1
141.50185	0.1
152.99454	0.2
153.00703	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
55.05515	0.5
56.31396	0.5
56.96566	0.9
63.02387	0.8
63.14902	0.5
64.20229	0.5
68.29120	0.5
71.02985	0.5
71.04993	2.8
72.46629	0.6
75.95634	0.5
79.05062	1.0
79.05495	15.4
89.03919	34.2
89.06015	1.3
91.05466	2.5
91.55994	0.5
93.07064	3.2
95.04969	4.3
98.97581	2.6
99.04480	1.1
105.04518	0.8
105.07035	0.9
107.04961	17.7
107.08595	9.9
116.98613	3.0
117.03381	28.8
117.04194	1.3
117.05472	1.0
117.07013	1.2
125.96783	0.6
134.99640	0.8
135.04424	100.0
135.06546	2.5
135.08018	7.9
135.09033	1.0
135.11665	4.7
135.83246	0.6
145.04012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03941	1.3
55.05506	3.9
63.02364	1.5
67.05518	1.1
69.07052	1.3
71.58958	0.8
74.32130	0.9
79.05491	26.6
81.07069	1.1
89.03914	41.1
91.05469	20.1
93.07040	47.0
94.07784	1.1
95.04958	7.2
99.42722	1.0
105.04503	1.9
105.07027	10.7
107.04953	15.3
107.08595	90.8
109.06526	4.0
112.90548	0.9
116.30502	1.0
117.03378	27.7
117.07011	1.8
119.08574	13.1
120.09354	1.9
126.08021	1.0
127.62282	1.0
127.77992	1.0
135.04417	100.0
135.08070	11.6
135.11691	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
50.51666	0.9
52.66755	0.5
53.03959	1.4
55.01880	12.5
55.05505	4.9
56.60676	0.7
58.66738	0.6
59.52205	0.8
59.56298	0.6
59.56947	0.6
62.02452	1.2
65.03938	1.3
67.05504	8.7
69.03432	10.1
69.07063	3.8
71.02985	35.8
79.05494	56.0
80.03503	17.9
81.07070	7.7
82.53778	19.7
91.05476	43.0
91.54278	3.7
91.83893	0.8
92.16008	0.7
93.07040	55.9
94.04573	1.2
94.06548	6.9
95.04956	6.8
95.07619	0.7
104.04212	0.7
105.04501	0.8
105.06343	1.0
105.07029	18.8
105.78699	0.7
107.04974	8.8
107.08592	100.0
109.06494	11.1
115.05454	12.8
117.07013	24.8
119.06054	7.0
119.08572	4.2
120.09281	1.1
135.04555	7.7
135.05528	4.6
135.08054	100.0
135.11685	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
50.26719	0.7
53.03962	1.1
55.01878	10.9
63.72176	0.8
65.03944	1.7
67.05515	6.2
69.03426	8.8
71.02982	10.5
72.74225	0.8
79.05498	44.9
80.03504	4.9
81.07066	1.3
82.53762	5.4
91.05481	38.0
91.54276	1.4
93.07040	31.2
94.06554	1.2
95.04981	6.6
105.04534	1.1
105.07037	21.4
107.04979	7.1
107.08595	71.0
109.06528	13.7
115.05448	14.9
117.07023	22.0
119.06071	5.2
119.08549	1.8
135.04463	9.8
135.08058	100.0
135.10793	1.6
135.11690	25.7
141.77431	0.9
145.97208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05506	5.2
55.05749	0.9
59.13272	0.9
59.61964	0.8
63.15435	0.8
67.05505	10.4
69.07056	2.4
71.02929	0.8
72.81261	0.8
73.38340	0.8
79.05498	31.9
81.07060	9.9
81.67922	0.9
87.71853	1.0
89.98707	0.9
91.05476	9.2
93.07038	58.2
95.04957	2.4
95.29359	1.0
105.04505	1.1
105.07002	1.7
107.04967	1.8
107.08593	52.8
107.25159	0.9
117.07086	1.0
119.08582	1.8
135.04422	2.0
135.08061	17.7
135.11691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02393	0.5
52.91777	0.5
53.03947	1.1
55.01889	1.1
55.05527	5.4
57.07084	1.2
58.12107	0.4
67.05511	12.0
69.07089	6.1
71.02985	4.3
76.01755	0.5
79.05502	48.6
81.07064	10.9
82.53786	0.8
85.40211	0.6
91.05484	25.1
93.07047	100.0
94.06568	4.1
95.04977	10.6
104.66290	0.5
105.04517	3.1
105.07032	3.2
107.04956	0.9
107.08599	51.5
109.06525	1.2
115.05424	0.6
117.07024	1.1
119.08578	2.5
133.10165	0.8
135.04492	1.1
135.05547	1.3
135.06644	1.0
135.06847	1.0
135.08064	16.1
135.11696	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.51695	0.8
55.05506	6.2
67.05511	14.9
69.07070	3.5
71.02988	35.3
77.67258	0.8
79.05499	32.6
80.03514	15.1
81.07063	10.4
82.53779	16.9
84.32446	0.9
91.05476	6.3
91.50311	1.0
91.54287	4.7
93.04524	1.0
93.07047	52.6
94.04578	1.5
94.05265	1.2
94.06564	14.6
95.04939	1.7
100.02486	1.0
105.07043	1.9
107.04907	1.2
107.08592	43.7
134.07153	1.4
135.04469	1.1
135.05576	2.2
135.06630	1.9
135.08031	12.9
135.09015	1.7
135.11694	100.0
151.97072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.91052	1.0
53.03963	1.7
55.05504	6.9
55.79321	1.0
67.05505	1.8
69.07062	5.1
71.03011	1.5
79.05498	19.5
81.07067	1.4
81.39082	1.1
83.43307	1.4
84.34883	1.2
85.64417	1.2
91.05480	15.1
93.07050	55.4
95.04974	2.8
105.07060	8.9
107.04956	1.9
107.08600	100.0
109.06545	1.9
117.06995	1.8
119.08578	15.7
120.09360	2.1
135.04439	2.8
135.08072	14.3
135.10669	2.7
135.11696	71.0
149.56744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.2
55.05749	0.9
59.13272	0.9
59.61964	0.8
63.15435	0.8
67.05505	10.4
69.07056	2.4
71.02929	0.8
72.81261	0.8
73.38340	0.8
79.05498	31.9
81.07060	9.9
81.67922	0.9
87.71853	1.0
89.98707	0.9
91.05476	9.2
93.07038	58.2
95.04957	2.4
95.29359	1.0
105.04505	1.1
105.07002	1.7
107.04967	1.8
107.08593	52.8
107.25159	0.9
117.07086	1.0
119.08582	1.8
135.04422	2.0
135.08061	17.7
135.11691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.71926	0.7
53.03950	0.9
55.05515	8.1
55.08342	0.6
57.04024	0.7
57.07074	0.8
67.05531	2.8
67.67930	0.6
69.07078	5.8
71.02992	0.9
77.03910	0.7
79.05497	25.5
81.07065	3.5
85.25157	0.7
85.53825	0.6
89.03922	9.2
91.05478	20.4
93.07047	73.2
95.04974	5.9
98.97604	3.3
105.04496	1.2
105.07012	10.9
107.04977	7.5
107.08600	100.0
109.06515	4.0
115.05542	0.8
116.98594	0.9
117.03381	5.5
117.06997	1.6
119.06071	3.0
119.08577	10.6
120.09387	2.8
128.64534	0.9
135.04416	25.2
135.05527	5.9
135.08084	9.3
135.09044	1.5
135.11696	62.1
137.09541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.87252	0.3
53.03938	0.3
55.05519	5.7
56.74949	0.3
57.07072	0.4
58.17054	0.3
61.37602	0.3
65.03956	0.6
66.25174	0.3
67.05502	0.8
69.07069	2.3
72.74043	0.3
79.05497	12.9
81.07061	1.4
82.38862	0.3
87.48701	0.3
91.05482	13.3
93.07042	42.7
95.04990	3.3
96.22522	0.3
105.04517	1.3
105.07035	7.2
107.04951	0.6
107.08595	100.0
109.06510	3.9
117.07034	0.4
119.06055	2.0
119.08589	6.5
120.09369	1.8
121.67899	0.3
133.10146	0.4
135.04471	2.3
135.08105	2.7
135.11693	40.7
138.45422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05524	10.6
57.07082	0.9
57.33480	0.4
58.68469	0.4
59.19709	0.4
59.80307	0.3
65.03967	0.8
65.46759	0.4
67.05505	2.0
69.07070	7.1
71.04986	1.8
73.75558	0.4
76.18291	0.3
77.03934	0.6
79.05501	23.1
80.05011	0.7
81.07069	3.6
87.81757	0.4
89.03916	0.9
89.06013	2.8
91.05482	21.0
92.05040	0.4
92.21498	0.5
93.07047	71.6
94.07845	1.0
95.04975	6.7
98.97567	0.5
105.04515	1.9
105.07034	10.8
107.04981	6.5
107.06094	7.4
107.08600	100.0
109.06525	5.1
114.66304	0.4
116.98609	0.5
117.07018	0.6
119.06093	2.9
119.08572	9.9
120.09368	2.6
133.10156	0.5
135.04440	4.4
135.05553	22.7
135.06561	0.9
135.08069	3.2
135.11702	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08218	0.8
53.03951	2.3
71.01366	1.4
75.24197	1.0
79.34748	1.0
80.05024	45.8
84.38384	0.9
91.05476	2.6
108.04481	21.9
108.08125	1.0
119.03591	1.3
119.04932	2.6
126.05514	64.5
136.02319	14.1
136.03947	100.0
136.06192	65.0
136.07553	11.4
136.08438	2.5
136.11226	4.2
138.93616	1.2
150.89801	1.2
153.91768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	ACETANILIDE
Peak:m/z	Relative Intensity
54.18967	0.4
62.29128	0.4
68.04089	0.4
68.05023	2.9
69.03432	7.6
76.93369	3.7
80.05025	3.9
85.29611	0.4
87.79193	0.4
88.76495	0.4
91.05479	3.9
94.02931	0.7
94.94384	0.9
94.97630	0.5
102.28899	0.4
108.04475	2.3
108.08123	2.2
117.95975	3.3
118.06548	5.8
118.32685	0.5
119.04929	2.6
119.46024	0.5
135.08640	0.5
135.97018	0.6
136.02182	16.5
136.03961	8.0
136.06190	30.9
136.07576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.37317	0.1
51.78191	0.1
65.03945	0.4
76.93367	0.7
83.89789	0.2
89.57938	0.1
91.05484	100.0
92.05802	0.2
93.94350	0.1
118.06519	1.2
119.04939	0.6
136.02180	4.6
136.03958	0.9
136.06221	3.9
136.07596	23.8
138.82608	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.89991	0.3
52.74197	0.3
57.78570	0.3
57.96165	0.3
65.03937	0.5
66.04690	0.6
79.05484	0.3
81.07027	1.9
84.40228	0.3
91.05488	3.2
94.04189	5.2
95.08585	0.4
105.57446	0.3
107.04949	0.7
108.69559	0.3
109.06519	0.6
109.72532	0.3
119.04905	0.4
122.03654	18.9
137.05923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
53.03963	0.7
55.01868	2.0
55.05513	1.8
59.42384	0.4
65.03960	0.8
67.05510	11.0
69.03416	0.9
69.07054	0.4
71.05011	0.5
71.89248	0.4
79.05492	5.2
81.03418	2.1
81.06618	0.7
81.07064	12.7
91.05480	12.5
93.07050	5.5
94.04189	5.1
94.06554	0.5
95.04984	4.9
95.08610	10.7
103.61533	0.5
107.04938	0.9
108.06957	0.4
109.02879	0.8
109.06546	6.2
109.10160	9.2
119.04934	3.9
119.08596	5.8
120.04456	2.1
121.25703	0.4
122.03649	19.3
122.07253	0.8
127.03927	0.8
137.02371	11.4
137.03548	2.6
137.05975	100.0
137.06938	4.2
137.08029	2.2
137.09612	27.2
137.10689	2.3
137.13239	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
55.05533	0.3
61.37968	0.2
65.03941	0.4
66.04700	0.3
69.03423	0.3
70.59591	0.2
79.05492	1.4
81.03419	0.3
81.07046	1.5
84.52143	0.3
91.05476	4.4
92.13764	0.3
94.04188	4.9
95.04966	0.5
100.12170	0.3
107.04953	0.5
109.06519	0.6
119.01926	0.6
119.04949	2.2
120.04458	3.1
122.03644	19.2
137.05974	100.0
137.10732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	1.8
54.29897	0.6
55.01883	45.9
59.27247	0.7
59.81456	0.6
61.34661	0.7
62.17942	0.7
67.05505	8.3
69.07056	0.7
69.56506	0.8
79.05497	21.9
81.04538	3.3
81.07063	100.0
91.05484	4.3
92.20932	1.7
93.07052	1.6
93.83657	0.7
95.04963	1.7
95.08622	12.1
97.06382	1.2
109.06528	26.8
109.10160	1.5
110.07130	1.3
119.08598	1.3
137.02457	4.8
137.05977	38.2
137.07031	2.1
137.08226	4.6
137.09613	16.7
137.10663	1.9
137.13255	3.7
151.11472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.90108	0.3
53.03956	1.8
55.01882	55.6
60.46016	0.3
61.89039	0.3
61.89594	0.3
65.03931	0.4
67.05520	3.0
69.03416	0.3
79.05500	21.8
81.07063	100.0
83.01347	0.5
91.05494	2.1
92.69530	0.3
93.07075	0.3
95.04958	1.5
95.08604	5.2
96.05623	0.3
109.06522	24.3
109.10148	1.4
110.07182	1.4
119.08578	0.5
137.02510	1.5
137.05981	39.4
137.08156	3.7
137.09596	5.1
137.10634	0.6
137.13246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.1
51.78651	0.1
53.03967	0.1
62.71758	0.1
63.61454	0.1
65.03929	0.5
66.04739	0.9
67.05516	0.5
69.44305	0.2
77.03914	0.1
79.05503	1.1
81.07054	1.2
82.48482	0.1
91.05473	1.6
93.53304	0.1
94.04189	6.2
95.04935	0.5
95.08657	0.4
97.81826	0.1
105.03380	0.2
107.04955	0.7
109.06500	0.2
109.10146	0.2
122.03648	21.6
135.04417	0.2
137.05980	100.0
150.29654	0.1
152.59955	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.54216	0.5
51.65826	0.6
55.01874	0.9
57.07082	4.6
57.30735	0.5
61.20406	0.6
65.89327	0.6
67.05517	5.1
69.07083	1.5
75.66988	0.6
79.05490	3.5
81.07064	24.6
84.53280	0.6
91.05478	2.5
94.04173	5.4
94.06570	0.9
95.04981	1.4
95.08606	35.3
95.09909	0.7
96.04444	0.9
97.06450	0.9
97.49179	0.7
109.06544	0.9
109.07708	0.6
109.10152	4.0
117.49300	0.7
120.04475	1.2
122.03648	21.1
137.02553	4.9
137.05978	100.0
137.08154	2.5
137.09605	7.4
137.10643	1.5
137.13251	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01919	0.5
53.03955	5.9
55.05525	23.8
57.03436	1.5
57.12953	0.5
59.05015	9.3
61.02935	5.2
67.05505	1.1
71.04999	100.0
73.06554	1.4
79.05505	1.2
81.07053	3.0
83.04990	34.3
91.05474	4.0
92.21644	0.6
95.04951	1.0
95.08651	0.8
101.06023	43.2
109.06565	1.4
109.10170	0.7
119.04956	1.2
122.03629	0.9
136.75616	0.6
137.02351	1.1
137.05911	12.6
137.07999	0.7
137.09616	3.5
141.90450	0.6
151.23538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05510	1.4
57.07077	7.3
67.05510	11.9
69.03403	0.6
69.07066	6.0
69.20442	0.5
73.52293	0.5
79.05493	8.4
81.07060	100.0
87.03590	0.7
90.99255	0.6
91.05467	2.9
92.21548	0.7
93.07042	3.0
94.04186	0.9
95.04971	2.6
95.08604	63.0
101.83538	0.6
109.06528	0.6
109.10165	8.7
119.04913	0.7
119.08544	0.9
120.63643	0.5
122.03648	6.1
126.27586	0.6
137.02422	1.4
137.05971	32.2
137.07060	1.1
137.09612	6.6
137.12184	1.0
137.13243	21.8
152.18781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07598	0.1
53.55868	0.1
65.91288	0.1
74.81392	0.2
75.10738	0.1
76.14877	0.2
77.03926	0.2
87.28577	0.1
91.05484	3.1
93.07040	7.7
95.04981	1.6
103.05469	4.3
105.04513	0.3
107.29264	0.1
109.23179	0.1
110.06055	0.2
121.06505	100.0
138.05492	4.9
138.06369	0.4
138.09097	0.3
148.49643	0.2
159.77647	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.1
53.03956	0.2
55.01891	0.1
60.75016	0.1
65.03914	0.1
77.03925	0.5
82.40878	0.1
91.05478	3.4
92.52033	0.1
93.07040	7.5
95.04974	1.5
100.61544	0.1
103.04812	0.2
103.05471	4.0
105.04523	0.5
111.12458	0.1
121.06500	100.0
138.05490	1.4
138.09140	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	Hydroxyphenethylamine
Peak:m/z	Relative Intensity
51.72200	0.1
53.03953	0.2
60.78732	0.1
66.07204	0.1
77.03929	0.3
91.05486	3.0
93.07042	7.5
94.02957	0.2
95.04970	1.6
97.68821	0.1
103.05465	3.7
105.04525	0.6
110.06052	0.2
110.66290	0.1
121.06505	100.0
138.05470	4.5
138.06374	0.7
138.09158	0.2
151.18146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.03947	0.7
53.98010	0.5
55.01869	2.9
55.05521	4.9
56.96575	14.5
65.03950	36.9
67.05508	2.3
68.99793	12.2
69.03418	2.8
72.82852	0.5
79.01840	0.9
81.03421	8.0
81.22339	0.5
83.04980	13.2
83.35918	0.6
89.75934	0.5
91.05518	0.6
93.03402	10.7
93.07034	1.4
95.04967	0.6
95.66644	0.5
96.02084	1.4
97.02882	1.2
97.06525	0.8
111.04440	100.0
117.05334	0.6
121.02898	2.6
121.03990	11.0
127.03922	1.1
132.62975	0.6
139.03914	18.8
139.04956	1.2
139.06174	0.5
139.07532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
52.92295	0.1
55.01867	0.1
55.05509	0.5
56.96574	4.1
65.03944	2.2
67.05513	0.2
70.53628	0.1
79.05494	0.2
83.04983	1.3
93.03392	1.2
93.07046	0.7
95.04974	0.7
95.08585	0.1
96.89986	0.1
97.06544	0.2
97.99200	0.2
107.73262	0.1
111.04436	1.9
121.02864	100.0
139.03906	8.0
139.04903	0.4
139.07535	0.4
139.08690	0.6
139.11218	0.1
139.43568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	4-Ethoxyphenol
Peak:m/z	Relative Intensity
53.03954	1.2
55.01880	5.9
55.05519	28.9
56.96572	100.0
57.03442	0.8
59.82926	0.5
62.51892	0.4
65.03957	5.7
67.05511	10.6
69.03411	0.5
69.07064	5.6
70.07378	0.5
74.97602	0.6
75.07502	0.5
79.05508	5.1
81.07059	3.2
83.04984	12.2
83.08624	36.8
84.26712	0.5
91.05482	7.2
93.03397	4.8
93.07038	24.5
95.04964	9.8
95.08588	3.3
96.08124	0.6
97.02889	0.8
97.06532	6.3
97.99178	5.7
103.05476	2.5
105.04514	0.9
111.04444	17.5
111.08079	51.0
116.00244	0.6
116.97204	2.3
121.00657	0.6
121.02859	4.2
121.06503	14.0
121.10107	0.7
139.03941	10.5
139.04964	1.1
139.05933	2.9
139.07539	48.8
139.08568	2.2
139.11182	2.2
139.12292	0.7
140.03369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Apocamphor
Peak:m/z	Relative Intensity
51.12265	0.5
51.51515	0.5
52.82317	0.5
55.01862	0.6
55.05513	6.7
55.89888	0.5
56.96573	100.0
57.03443	79.8
65.06612	0.5
67.05176	0.9
67.05508	10.6
69.07074	7.5
71.04984	4.0
78.98397	0.6
79.05494	21.3
81.07078	6.0
83.04986	6.4
83.08620	15.7
91.05511	0.7
92.20925	1.0
93.07041	31.6
95.04958	2.6
95.08601	15.5
97.06540	4.9
97.99176	4.8
111.04432	1.4
111.08073	0.7
119.38352	0.7
121.10144	17.0
139.06229	1.0
139.07526	2.7
139.08615	1.1
139.11191	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
54.38384	0.4
55.01875	1.6
55.05519	10.9
56.18749	0.3
56.96294	0.9
56.96571	24.4
65.03945	11.5
67.05143	0.4
67.05507	10.8
68.05040	0.4
69.03407	0.8
69.07056	0.5
76.72696	0.4
79.05489	0.4
81.13802	0.4
83.04980	34.1
93.03401	7.8
93.07019	2.0
95.04955	7.4
96.08141	3.7
97.02871	0.7
97.06483	1.8
97.99155	1.6
105.02061	2.9
111.04439	32.7
111.09193	0.5
114.02592	1.5
116.52829	0.4
121.02851	7.2
121.03970	2.4
121.06471	0.9
121.07619	0.6
122.05946	0.4
122.06828	12.6
139.02182	0.7
139.03947	21.9
139.04977	4.0
139.05876	11.7
139.07570	1.4
139.08673	2.6
139.12297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.9
53.04201	0.6
54.15371	0.3
55.01883	0.5
55.05510	0.3
56.96581	0.6
57.03449	0.3
57.93562	0.4
58.55842	0.3
65.03963	0.4
65.07262	0.3
66.04290	0.7
67.67175	0.3
69.03430	0.5
70.06595	0.5
71.05009	1.8
81.03423	17.5
81.48435	0.3
84.04514	0.4
84.08138	0.3
93.03399	0.4
94.04074	12.8
94.06554	1.2
96.04488	2.0
97.02898	12.3
97.05289	0.4
98.06064	0.8
98.97580	3.1
98.98488	0.6
99.04457	76.5
104.05018	3.1
110.03699	0.3
111.04438	0.8
112.03970	10.9
112.04826	6.8
112.07594	3.5
116.97228	4.1
116.98632	1.6
122.06029	34.2
125.02352	89.6
134.99695	0.5
140.03448	19.4
140.04672	100.0
140.07051	39.8
140.08043	1.4
140.10709	6.9
140.12730	0.5
155.36708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0467
Annotation	N-Monomethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
53.03959	1.9
56.96575	6.5
57.93567	12.0
59.52020	0.4
62.89053	0.4
62.93626	0.4
66.04742	0.8
67.05479	0.4
68.05018	0.6
69.03424	0.7
69.10134	0.5
70.06594	1.1
71.52512	0.4
75.94582	0.4
81.03435	3.0
82.04212	0.6
91.00526	1.1
94.04056	6.7
94.06560	1.1
95.04997	0.5
97.02888	18.0
98.06055	2.2
98.96182	3.0
98.97578	9.2
98.98458	6.2
99.04449	9.0
107.01304	0.9
110.03663	9.0
111.04449	1.8
112.04024	3.6
112.04707	0.7
112.05120	1.0
112.07619	2.4
114.00751	0.6
116.97213	60.1
116.98468	7.6
121.95770	1.8
122.06011	4.2
125.02344	100.0
134.99640	2.9
139.98792	0.6
140.03462	6.6
140.04665	91.6
140.08163	2.1
140.10672	0.5
140.14302	1.1
148.96123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	5-Methoxymethyl furfural
Peak:m/z	Relative Intensity
50.51558	0.1
53.03941	0.8
57.07086	0.1
57.08417	0.1
58.99853	0.2
59.23907	0.2
67.05497	1.2
69.39964	0.2
71.04975	1.0
81.03416	11.4
81.07056	1.2
82.00955	0.2
82.01443	5.0
83.04959	0.6
85.06525	0.3
93.29253	0.2
95.04965	1.1
95.08605	2.7
96.04482	0.2
97.06525	1.0
99.04429	0.3
99.08065	1.3
100.02477	19.7
100.04792	1.0
109.02874	100.0
113.05991	1.1
113.52344	0.1
118.03510	8.1
120.13927	0.2
123.04322	0.3
123.05560	0.3
123.06355	1.9
123.08081	0.4
124.03945	0.7
127.03896	0.8
135.83397	0.2
138.78053	0.2
141.01791	0.7
141.03867	0.3
141.05432	3.3
141.06578	1.0
141.07420	0.9
141.09117	0.6
141.10208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0499
Annotation	Antibiotic MM 14201
Peak:m/z	Relative Intensity
55.01866	0.6
55.05505	0.3
58.06592	0.7
63.63774	0.2
68.05020	0.6
69.03421	0.3
70.62521	0.1
72.04521	0.4
82.01425	0.2
82.06566	0.2
83.01511	0.8
83.04985	0.2
84.08134	0.9
86.06068	0.4
86.84058	0.2
96.04498	1.2
96.08133	0.8
97.02890	0.2
100.02496	1.3
100.04002	0.2
100.07610	0.8
101.00880	6.2
101.02544	3.5
105.02039	0.3
105.04292	0.2
114.04794	0.2
114.05527	0.4
114.09120	0.3
114.78510	0.2
118.03519	0.4
119.01913	27.7
119.03566	1.3
120.88306	0.2
124.02453	1.1
124.03940	3.1
124.07576	0.8
137.02956	7.1
142.03525	11.1
142.04993	100.0
142.08606	3.1
142.12263	1.9
142.15898	7.1
160.04541	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0863
Annotation	Hypoglycin
Peak:m/z	Relative Intensity
51.47948	0.7
53.03946	0.7
55.01865	1.2
55.05504	3.7
62.78781	0.6
67.05527	0.7
69.07071	42.9
70.06590	1.3
71.08636	17.8
72.07805	1.1
72.08159	19.2
79.05496	28.4
81.03420	8.1
81.07058	28.1
82.06578	0.7
89.05508	0.6
95.04946	1.2
96.08131	100.0
97.06525	25.8
98.09663	3.9
100.07620	1.2
100.11228	0.9
101.00888	1.3
101.02576	0.9
112.72790	0.7
114.09162	34.0
118.96755	3.1
119.01923	5.7
124.03903	0.8
124.07585	62.4
125.05991	69.2
137.60202	0.8
142.03502	1.6
142.05022	4.8
142.08635	77.9
142.12262	7.2
142.15909	12.6
143.07034	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	5-hydroxy-gamma-coniceine
Peak:m/z	Relative Intensity
52.82061	0.6
55.01879	6.1
55.05522	53.1
55.45428	0.6
57.07083	18.3
58.06602	4.5
60.04526	0.8
67.05503	3.7
69.03439	11.7
69.07075	7.1
70.06577	0.9
72.04507	3.1
79.05501	4.1
81.07088	6.6
83.04969	3.0
83.08628	87.7
84.08134	1.2
86.06071	18.8
88.72032	1.0
97.10174	100.0
100.07616	10.0
100.11263	16.7
107.08594	11.8
117.90977	0.8
118.96750	4.9
119.01950	0.9
124.11206	1.4
125.09637	53.9
132.33525	0.8
135.97600	0.8
142.05005	4.3
142.08653	1.8
142.12283	80.1
142.15913	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
53.93451	0.9
55.01867	2.4
55.05513	6.0
56.96558	2.5
57.03435	4.6
58.99864	2.0
60.95840	2.5
60.99619	1.2
61.02940	9.5
64.54670	1.0
67.72545	0.9
68.02659	0.9
69.03434	8.6
70.99858	1.3
73.02917	10.8
77.00904	2.4
78.52953	2.3
79.01858	4.7
81.01912	5.6
81.03422	2.5
81.04546	22.9
82.01434	6.3
83.06093	1.0
84.01186	9.1
84.52921	1.5
85.02898	5.6
85.53739	1.9
86.52686	4.2
87.01889	1.8
87.04478	1.0
87.34393	1.1
87.53490	1.6
88.02741	11.1
89.53220	1.9
90.02438	4.1
90.52953	1.6
90.75259	0.9
92.52735	1.5
93.01885	5.2
93.53477	17.3
95.06097	17.1
95.53223	1.9
96.02426	4.5
97.02892	6.5
97.07662	13.2
97.39486	1.0
98.52666	7.8
99.04472	14.5
99.53486	12.4
100.02494	24.5
101.00886	39.9
101.02554	1.8
101.07134	1.3
101.28914	1.1
101.53207	6.8
102.00986	9.6
102.02259	73.0
104.52673	2.1
107.53214	5.5
108.53963	1.2
109.02869	1.5
110.53736	4.6
111.02927	24.3
113.53210	11.9
115.02362	3.7
118.03500	9.9
119.01922	100.0
120.02011	58.1
120.03320	36.3
122.53707	17.1
124.02436	8.1
125.02417	4.4
125.07109	25.4
125.07939	1.7
126.05522	10.8
126.09179	1.6
127.03937	1.8
131.01904	9.7
131.54221	7.0
133.03464	5.4
137.02960	13.4
138.03069	14.0
142.03506	22.6
143.01927	20.4
143.03584	29.7
143.08154	62.4
143.11792	6.3
143.16245	1.1
145.03461	1.1
154.03487	7.5
154.36378	1.0
155.01898	2.0
157.03445	2.0
160.04575	1.3
161.02939	14.2
161.04617	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.80629	0.7
55.01868	1.3
55.05526	15.0
56.96562	1.0
57.07082	11.3
59.05000	1.4
60.95861	1.1
63.33696	0.7
65.03961	1.0
67.05504	5.1
69.03425	7.6
69.07066	3.7
71.04996	100.0
73.06557	14.0
76.49771	0.9
79.01863	4.9
79.05502	4.8
81.07057	7.1
83.04986	9.6
83.08625	12.2
84.01209	1.5
85.06548	58.8
88.02383	6.7
91.46034	0.8
97.02898	4.2
97.06523	1.8
97.10174	17.2
97.50909	0.8
102.02249	10.5
102.09176	1.1
105.07031	1.1
107.08601	48.6
115.05412	0.9
120.01988	1.9
120.03300	3.6
125.02393	7.4
125.09633	35.8
138.82230	0.8
141.96501	0.9
143.03395	37.5
143.08525	1.4
143.10683	13.7
143.16214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Cleroindicin A
Peak:m/z	Relative Intensity
50.76446	0.8
55.01886	1.9
55.05519	16.4
56.96570	1.4
57.03433	0.9
57.07084	10.2
59.05000	2.0
59.69430	0.7
60.95868	1.0
64.39007	0.7
67.05512	6.7
67.51051	1.2
69.03432	8.0
69.07059	4.8
71.04997	100.0
73.06559	13.2
73.07288	0.7
73.08481	1.0
76.54698	0.7
79.01854	4.6
79.05493	7.2
81.07047	5.2
83.04989	11.7
83.08640	8.8
84.01182	1.1
85.06551	51.3
88.02365	6.7
91.05473	1.3
93.60938	0.9
97.02885	4.7
97.06545	16.4
97.09606	0.9
97.10187	16.1
102.02232	5.5
105.07048	1.0
107.08597	45.5
111.04439	0.8
115.07578	1.5
120.02161	1.4
120.03225	2.0
125.02367	10.1
125.04318	1.1
125.06006	6.2
125.09632	33.4
128.06180	0.9
134.97411	0.9
134.98706	0.8
142.28372	1.1
143.03409	65.2
143.07091	9.5
143.08087	1.2
143.10675	11.7
143.11757	1.4
143.16266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.03435	1.3
57.04560	0.3
65.40282	0.2
69.03416	0.5
69.07054	1.8
71.04989	0.4
72.08155	14.7
79.01859	2.7
79.05491	1.6
80.94659	0.3
81.07058	3.2
84.01170	0.4
88.02372	2.1
97.02882	1.4
97.06517	2.1
97.08459	0.6
98.09695	4.3
99.08149	0.6
99.09214	21.4
102.02224	1.6
120.02364	0.5
125.02344	2.1
125.05973	1.5
125.07919	0.4
125.10748	22.0
130.20029	0.3
143.03404	10.0
143.07033	1.5
143.11792	100.0
143.16240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
57.07063	0.4
58.06590	0.2
67.05521	2.1
67.22865	0.2
70.06584	0.5
72.04532	0.2
81.07076	0.3
84.04515	2.3
84.08150	0.4
85.02909	0.3
85.06530	2.2
91.05459	0.3
97.00793	0.5
98.06047	4.2
98.09713	0.3
103.05472	1.0
108.11678	0.2
115.05448	0.6
116.07110	0.3
117.05746	0.3
117.07024	4.9
120.96515	0.6
121.00803	2.4
126.02712	0.2
126.05540	0.4
139.01813	4.8
143.07315	3.2
144.03793	1.7
144.08087	100.0
145.06487	0.3
155.06035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.4
58.06590	0.2
67.05521	2.1
67.22865	0.2
70.06584	0.5
72.04532	0.2
81.07076	0.3
84.04515	2.3
84.08150	0.4
85.02909	0.3
85.06530	2.2
91.05459	0.3
97.00793	0.5
98.06047	4.2
98.09713	0.3
103.05472	1.0
108.11678	0.2
115.05448	0.6
116.07110	0.3
117.05746	0.3
117.07024	4.9
120.96515	0.6
121.00803	2.4
126.02712	0.2
126.05540	0.4
139.01813	4.8
143.07315	3.2
144.03793	1.7
144.08087	100.0
145.06487	0.3
155.06035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69803	0.1
80.46202	0.1
84.04507	0.1
86.02375	0.1
89.03896	0.1
91.05466	0.4
98.06046	0.4
103.05457	0.2
105.10815	0.1
115.05444	1.1
117.05718	0.3
117.07014	6.3
128.04970	0.2
140.56229	0.1
143.07307	3.3
144.08086	100.0
145.06474	0.9
146.06018	0.1
155.05995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
64.69803	0.1
80.46202	0.1
84.04507	0.1
86.02375	0.1
89.03896	0.1
91.05466	0.4
98.06046	0.4
103.05457	0.2
105.10815	0.1
115.05444	1.1
117.05718	0.3
117.07014	6.3
128.04970	0.2
140.56229	0.1
143.07307	3.3
144.08086	100.0
145.06474	0.9
146.06018	0.1
155.05995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1383
Annotation	Conhydrine
Peak:m/z	Relative Intensity
54.64086	0.6
55.05504	0.8
56.05025	0.8
57.07088	13.6
58.06583	0.9
59.84047	0.5
67.05496	0.8
71.04964	1.0
71.08632	0.9
74.06084	10.4
74.53900	0.6
84.04509	2.9
84.08123	1.2
85.02908	1.0
86.06065	0.7
88.07632	33.1
89.10127	0.6
90.36202	0.6
98.06052	11.2
102.09188	12.1
103.05485	6.9
109.10204	0.8
121.00801	2.8
126.05518	1.2
129.06969	1.1
138.63649	0.6
139.01831	5.6
144.03687	1.2
144.06606	5.0
144.08083	4.0
144.09088	0.9
144.13838	100.0
162.14729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
50.55812	0.4
52.22029	0.5
53.03962	5.7
55.01881	4.7
55.05514	0.6
57.03448	6.7
57.78954	0.4
59.04982	0.5
61.02934	1.2
62.92995	2.1
66.58170	0.5
67.02952	0.5
69.03440	8.9
70.63019	0.4
71.01355	0.8
71.04997	30.0
79.62933	0.5
81.03419	10.5
83.01351	0.6
84.99268	0.6
85.02910	18.5
85.54823	0.5
86.02434	0.7
87.04491	0.6
87.43023	0.5
89.03914	3.1
92.21513	0.6
97.02898	5.9
99.04461	100.0
101.02400	1.8
103.57169	0.5
103.95589	0.6
109.02908	0.6
115.03934	0.7
117.03374	3.5
117.07018	2.5
121.96654	8.9
127.03918	24.8
127.04845	1.0
145.04982	13.9
145.06406	3.8
145.08475	1.1
145.10117	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
51.40319	0.6
52.14547	0.6
53.03963	7.5
55.01876	7.7
57.03443	10.6
59.04997	1.0
61.02931	17.1
69.03433	46.0
71.01328	1.0
71.04988	10.7
73.02919	2.7
81.03419	15.5
83.01338	4.6
85.02907	100.0
85.94620	0.7
97.02890	38.6
97.74142	0.7
99.04456	22.5
102.21110	0.7
109.02879	8.6
117.07028	1.4
127.03895	11.7
140.83417	0.7
145.04919	7.0
145.06538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
50.01593	0.4
50.53407	0.4
51.02397	1.0
51.60188	0.5
53.03738	0.8
53.03961	14.8
54.40208	0.4
55.01883	10.8
55.05518	6.2
56.05041	0.5
56.05844	0.5
56.96573	8.1
57.03447	11.8
58.02062	0.4
58.06607	0.6
58.83648	0.4
58.99858	0.7
59.04999	0.8
60.04523	1.0
60.87552	0.4
61.02937	5.4
62.93020	0.6
69.03434	58.6
70.06595	3.8
71.01352	2.0
71.04993	27.3
71.06313	0.6
71.06926	3.8
73.02909	2.7
77.00945	0.7
81.03424	28.6
82.39468	0.5
83.01356	2.8
84.08136	2.2
84.99271	1.0
85.02907	75.0
85.07679	0.9
85.08476	3.4
86.06072	7.4
86.09726	0.9
87.00944	0.5
87.04452	1.0
88.03960	0.8
89.03867	0.7
91.05471	8.8
96.01542	4.9
97.02889	25.9
98.03213	0.8
99.04458	89.6
99.09251	0.7
99.10042	2.8
100.07622	1.0
101.02401	1.1
103.05473	5.7
104.05800	16.1
105.02074	30.2
105.52268	0.8
109.02882	4.3
111.02064	0.9
114.02585	12.6
115.03909	0.9
115.05451	25.9
116.06253	1.1
117.07015	100.0
121.01669	0.9
121.96632	2.6
122.02063	0.7
127.03918	29.7
127.05359	1.1
128.04236	4.6
143.00159	7.5
144.98022	0.6
145.03403	13.0
145.04994	19.5
145.06491	66.0
145.09610	1.1
145.10616	11.0
145.13347	0.7
149.01184	0.6
154.03853	7.3
155.00143	5.2
155.06018	4.4
161.01202	16.5
163.04517	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
56.35697	0.5
59.70288	0.5
64.27700	0.5
69.03411	2.5
69.16125	0.5
71.04995	0.8
85.02903	2.7
91.05476	11.1
97.02885	0.9
99.04459	3.2
103.05493	0.6
115.05451	28.7
117.07014	100.0
125.90184	0.6
127.05476	0.7
145.06487	60.4
148.70273	0.6
155.06024	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32450	0.6
51.88745	0.5
53.03951	1.0
55.01885	1.2
57.03446	0.7
58.26720	0.6
59.91861	0.5
61.32471	0.5
62.92991	1.2
64.01174	0.6
69.03418	2.4
71.04998	9.5
71.56966	0.5
75.77853	0.5
81.03425	4.1
85.02904	5.6
90.02021	0.9
91.05498	4.7
97.02877	0.9
99.04461	30.0
103.05473	0.7
105.07047	11.7
115.03930	0.7
115.05453	1.2
116.06199	0.9
117.07018	20.9
119.86226	0.6
121.96637	9.1
123.98956	0.6
127.03934	6.5
129.07030	1.0
130.07793	9.0
143.08595	2.8
145.04984	4.4
145.06480	7.6
145.10130	100.0
155.06107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01885	0.7
57.03445	0.6
62.93003	4.9
67.05496	0.5
69.03426	1.0
71.04990	6.8
81.01518	0.9
81.03413	2.3
85.02933	3.5
85.07682	0.5
86.06053	0.4
87.18345	0.5
90.02002	0.9
91.05482	5.7
97.02911	0.5
99.03817	0.9
99.04462	24.4
99.06380	0.4
103.05463	0.5
103.95613	0.6
104.05843	0.4
105.07034	10.5
105.91159	0.4
108.13879	0.4
113.30910	0.4
115.05487	1.0
116.06238	0.7
117.07025	23.6
121.96651	15.0
127.03938	6.7
128.06259	0.7
129.07051	0.5
130.07811	8.8
143.08591	2.6
145.05008	4.7
145.06499	4.4
145.10135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
61.80595	0.3
68.52638	0.2
82.06631	0.3
82.96418	0.2
85.31488	0.2
91.05490	1.1
91.34670	0.2
100.58683	0.2
101.60580	0.3
109.00793	0.2
113.47822	0.3
118.06529	3.6
128.04076	0.5
128.04976	12.5
128.05934	0.5
128.07034	0.3
132.63530	0.3
135.57214	0.2
136.21799	0.3
146.06009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
55.05513	0.5
56.05038	0.3
57.03437	0.4
60.08165	1.4
63.93377	0.3
68.06715	0.3
69.03432	0.6
71.05009	0.5
81.03412	0.7
82.06584	0.7
83.04970	0.6
84.04489	0.4
85.02891	0.6
86.03231	2.1
86.06062	2.1
86.09666	0.4
87.04474	4.9
91.05466	0.8
98.03217	0.6
99.04485	0.4
100.07610	1.7
100.11218	1.2
104.07066	0.5
110.06067	1.4
117.05786	0.4
118.03693	0.4
118.06536	7.0
119.82655	0.3
128.04970	13.0
128.07079	2.6
129.05455	0.4
146.06015	100.0
146.08073	3.2
146.11707	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
55.05516	0.3
59.61353	0.2
60.64223	0.3
66.16205	0.3
72.08159	0.3
87.04476	0.6
91.05472	0.6
97.99461	0.3
118.06552	4.4
128.04967	11.3
128.07021	0.5
146.06013	100.0
146.11768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05048	0.3
57.03466	0.2
58.06610	0.3
60.05658	7.2
60.08170	12.7
68.05058	0.2
68.73224	0.2
69.03435	0.4
72.04536	0.2
72.08162	1.0
74.06092	0.2
75.70171	0.2
81.03394	0.4
82.01463	0.3
82.06585	1.8
83.05013	0.3
83.06131	0.3
85.02895	0.3
86.03226	0.4
86.06069	23.3
86.09724	0.3
87.04471	100.0
98.03214	0.2
99.04509	0.3
100.02475	1.7
100.07606	1.3
100.35413	0.2
104.02149	0.4
104.07104	9.0
105.02295	0.2
110.06037	0.4
111.04439	0.4
111.05568	3.8
113.02657	0.4
113.96362	0.5
114.05966	0.2
118.03558	0.3
125.02641	0.3
128.07086	1.7
128.08202	6.0
129.05656	0.3
129.06581	1.7
132.85057	0.2
146.06096	1.7
146.08200	2.1
146.09247	44.3
146.11752	30.3
156.35478	0.2
157.03419	0.3
161.70972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0924
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
50.85359	0.7
53.62674	0.7
55.24255	0.7
60.05382	1.1
60.05655	18.4
60.08170	3.1
60.46049	0.6
62.03783	0.7
63.05017	0.6
69.03439	1.5
70.60715	0.7
72.04501	0.8
72.08135	0.8
75.97949	0.8
81.29341	0.7
83.04977	0.8
86.05539	1.2
86.06068	47.0
87.04470	92.1
100.07626	1.4
101.85229	0.8
104.07111	19.9
111.05556	9.2
112.49317	0.8
118.07349	1.7
128.07190	2.1
128.08165	11.9
129.06587	3.9
146.05988	3.0
146.06992	2.2
146.08243	3.7
146.09244	100.0
146.11658	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Acetylcholine
Peak:m/z	Relative Intensity
52.68838	0.1
53.43131	0.1
55.05521	0.2
56.05035	0.3
56.96540	0.1
57.03431	0.2
58.06591	0.1
60.05645	0.7
60.08167	8.7
67.05502	0.5
68.05008	0.2
69.03410	0.3
70.06583	0.1
72.04513	0.6
72.08171	0.2
72.93786	0.5
80.05030	1.0
81.03415	2.8
82.06585	1.6
83.04985	2.4
84.04520	0.6
85.02900	0.7
86.03249	0.2
86.06063	3.4
86.09726	0.2
87.04465	100.0
90.94846	0.2
98.06030	0.3
99.04414	0.2
100.02479	1.9
100.04805	0.2
100.07603	1.2
104.07087	1.1
107.71987	0.1
110.06033	2.2
111.04449	1.7
111.05550	0.2
113.96388	1.0
114.04063	0.2
118.03490	0.6
118.08654	0.2
119.01807	0.2
128.07066	3.0
128.08179	0.7
129.05476	1.5
129.06427	0.2
131.97476	0.2
132.05089	0.2
136.14157	0.1
146.06055	0.2
146.08098	3.1
146.09242	5.3
146.11755	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27750	0.1
54.83805	0.1
56.05048	0.1
58.06616	0.1
60.05653	1.9
60.08172	5.8
61.78280	0.1
62.90742	0.1
69.03439	0.1
72.04493	0.2
72.08149	0.6
74.51921	0.1
83.06118	0.2
84.08147	1.1
86.06072	5.4
86.09702	0.1
87.04468	100.0
87.71014	0.1
100.07638	0.3
103.13354	0.1
104.07111	2.2
108.02155	0.1
110.06113	0.1
111.05562	0.6
118.00152	0.1
118.07352	0.1
122.85926	0.1
128.07085	0.8
128.08199	1.6
129.06564	0.5
146.05997	0.5
146.08121	1.8
146.09233	9.9
146.11752	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.54879	0.3
55.26411	0.2
56.97501	0.3
60.23000	0.3
65.03948	2.6
91.05481	40.5
95.77807	0.3
101.24180	0.3
119.04939	100.0
131.89565	0.3
147.04408	75.9
147.11728	1.5
147.24658	0.4
165.68941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.12376	0.3
58.56984	0.3
63.02354	0.3
64.92809	0.8
65.03947	6.7
67.71384	0.4
70.68307	0.4
73.00379	0.4
76.03139	0.6
84.04498	0.5
86.62349	0.4
88.03972	0.4
89.03907	5.4
91.05481	78.0
105.07036	5.8
117.06964	0.6
118.04149	0.8
119.04940	78.0
119.08585	8.1
123.96467	5.6
147.04410	100.0
147.08026	6.5
147.11711	7.7
150.03122	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.38010	0.3
54.80025	0.3
55.05537	0.4
55.49386	0.4
55.95914	0.3
58.32020	0.4
65.03945	2.6
71.07236	0.5
75.45309	0.4
84.08144	0.7
90.95303	0.4
91.05479	39.7
91.16895	0.4
105.07039	2.2
119.04941	100.0
119.08549	3.8
123.96456	1.0
147.04410	84.7
147.08029	3.1
147.11678	4.1
164.67055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.55276	0.5
55.05517	2.6
64.92798	1.3
65.03934	2.2
67.05499	1.2
69.07083	1.0
79.05480	2.6
81.07047	0.8
85.21657	0.6
86.93394	0.6
90.39051	0.6
91.05478	55.5
93.07049	1.4
105.07036	27.6
117.07018	1.3
117.99915	0.6
119.04940	100.0
119.08574	33.6
119.09438	1.3
123.96475	7.6
126.13404	0.6
129.06984	1.0
133.63927	0.6
143.72794	0.6
145.10178	1.2
147.04410	79.5
147.08051	15.7
147.11682	50.5
147.12872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05044	1.5
60.04544	0.3
60.08168	0.2
63.21487	0.1
69.03436	0.5
72.16672	0.2
83.04979	0.3
84.04507	100.0
84.08136	3.2
85.02912	1.2
87.04467	3.3
88.04009	2.8
88.04800	4.3
101.01733	0.8
101.07143	6.3
102.05551	4.8
111.04460	0.2
112.04008	0.2
119.01956	0.2
119.04913	0.8
130.04999	67.6
130.08623	1.1
147.01360	0.3
147.04391	0.4
147.07642	3.6
147.12117	1.2
157.75768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.48111	0.4
54.57639	0.4
55.01874	1.1
55.05521	0.9
57.03448	0.6
60.31541	0.4
64.21592	0.4
64.92805	1.7
67.05502	1.1
69.07084	0.4
74.39683	0.4
79.05490	2.1
81.07050	2.1
88.51067	0.5
91.05482	49.7
93.07043	0.9
103.05457	0.8
105.07039	15.8
107.04980	0.8
117.07014	2.9
119.01434	0.4
119.04939	22.0
119.08577	25.6
119.09422	0.9
123.96445	6.3
128.06207	0.9
129.07004	11.5
132.05757	0.8
144.40866	0.4
145.10194	0.7
147.04420	18.1
147.08049	100.0
147.11685	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0916
Annotation	Dimethylbenzimidazole
Peak:m/z	Relative Intensity
61.66574	0.2
61.70919	0.2
69.03443	0.2
81.09354	0.2
84.04495	1.9
84.05325	0.2
84.08139	0.4
88.03984	0.4
91.05504	1.5
96.11242	0.2
101.11601	0.4
102.05573	0.3
102.20111	0.2
105.07002	0.2
106.06542	0.3
119.04960	2.2
119.08543	0.2
123.96426	0.2
124.67258	0.2
130.04993	1.3
130.08641	0.2
132.06828	1.2
147.04425	2.1
147.09172	100.0
152.23433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0392
Annotation	Isatin
Peak:m/z	Relative Intensity
52.79058	0.5
53.78739	0.5
54.03466	0.7
55.01889	0.7
55.63412	0.5
56.05035	0.6
56.96559	0.7
57.97089	0.5
62.83502	0.6
65.03946	8.2
68.99782	1.1
70.21997	0.6
79.05505	2.9
79.38992	0.7
82.02934	4.1
84.04514	10.5
85.04829	1.1
88.04018	0.9
91.05480	4.5
92.05004	26.1
95.01315	1.2
102.05544	4.2
102.09146	1.0
103.05470	3.7
107.04970	3.3
120.04464	21.0
120.05279	1.5
120.08115	5.4
124.03992	1.0
130.05020	1.5
131.05370	1.2
138.05502	12.9
148.03932	100.0
148.07579	13.9
148.08646	1.9
148.11212	24.9
155.51292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
52.33194	0.1
54.17134	0.1
56.05043	3.4
56.53749	0.1
60.04523	0.3
60.05653	0.3
67.53451	0.2
70.03777	0.1
70.06592	1.9
71.05003	0.4
74.02441	1.4
75.15977	0.1
84.04507	100.0
84.08141	0.4
85.02909	2.5
85.04260	0.3
85.04823	2.9
85.06559	0.9
87.04496	0.2
88.03999	2.4
88.07641	0.2
89.04896	0.3
97.98940	0.2
100.07610	0.2
102.05544	32.9
102.09172	0.8
103.03928	0.2
120.04463	0.3
130.04999	21.4
130.08806	0.2
130.09747	1.9
131.03400	0.2
131.05334	2.2
139.16884	0.2
148.03943	0.7
148.06041	4.9
148.07359	0.2
148.07767	0.2
148.09685	0.8
148.10783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	Vinyl benzoate
Peak:m/z	Relative Intensity
50.78275	0.3
52.54886	0.3
55.05518	0.7
65.03954	0.4
67.05186	0.4
67.05493	3.0
69.07078	1.5
69.54996	0.3
70.40523	0.4
71.52612	0.3
76.00416	0.3
77.03929	0.5
79.05506	5.1
81.07058	8.1
91.05475	1.8
93.07041	11.3
95.04948	3.9
95.08624	0.9
105.03395	89.9
107.04957	1.0
107.07915	0.6
107.08599	10.7
108.04483	4.3
108.08144	0.6
121.02882	2.8
121.06473	0.4
121.10136	5.4
126.05517	1.9
131.08621	1.5
149.02368	13.0
149.05975	100.0
149.09595	9.6
149.13251	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.05518	0.6
58.59361	0.3
61.31853	0.3
65.03937	0.8
67.05493	2.4
69.03436	0.6
69.18246	0.3
73.38267	0.3
79.05492	5.0
80.92766	0.4
81.03412	0.8
81.07058	4.4
83.08592	0.4
91.05470	2.4
93.07042	10.4
95.04968	0.6
95.08680	0.4
103.05462	0.5
105.07041	1.5
107.04955	60.8
107.08591	7.5
108.04478	4.8
121.02847	2.0
121.06510	1.5
121.10133	4.4
126.05499	1.8
131.08604	2.8
137.53809	0.3
146.54335	0.4
149.02368	7.5
149.05959	2.9
149.07120	2.1
149.09613	100.0
149.13242	12.7
150.42323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03937	1.0
55.01877	0.9
55.05519	3.1
59.79023	0.3
65.03938	0.9
67.05508	19.0
69.07066	9.7
77.03920	0.6
79.05492	20.5
81.03416	0.5
81.07059	44.6
83.08590	2.9
83.47528	0.4
89.03934	0.7
91.05479	9.5
93.07040	51.3
95.04958	2.9
95.08607	5.7
103.05490	0.7
103.33783	0.5
105.04511	0.8
105.07026	2.9
106.04182	0.9
107.04955	12.2
107.08593	47.2
108.04462	4.7
108.08107	0.6
109.06496	0.7
119.04929	0.5
119.06060	0.5
119.08609	0.5
120.05735	0.8
121.02858	2.7
121.06498	4.5
121.10135	22.9
126.05503	2.1
131.04893	0.5
131.08565	3.9
147.11632	0.9
149.02339	9.3
149.05974	5.9
149.07103	2.0
149.08385	0.8
149.09621	31.0
149.13254	100.0
154.00224	0.4
154.29477	0.4
166.50946	0.4
166.55676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.05503	2.0
65.03938	2.0
67.05508	20.2
69.07066	9.9
70.09042	0.4
79.05499	19.0
81.07059	47.3
83.08627	4.4
89.03900	0.8
91.05476	7.1
93.07042	51.4
95.04955	2.0
95.08602	7.3
105.07035	3.1
106.04173	0.5
107.04950	2.5
107.08595	44.4
108.04467	7.1
108.08108	0.9
109.06497	0.5
119.08597	0.5
121.02864	4.1
121.03940	0.7
121.06487	3.0
121.10133	18.8
126.05518	4.0
131.08578	2.2
147.11705	0.6
149.02347	13.3
149.03450	1.0
149.05975	5.4
149.07028	1.0
149.09631	25.4
149.13252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.23584	2.4
51.50813	2.6
55.05530	3.2
61.16900	3.0
65.03950	6.3
67.05508	14.8
69.07072	5.0
79.05501	18.0
81.07053	36.7
82.57881	2.9
85.03457	2.7
89.65976	3.0
91.05511	12.1
92.21542	5.0
93.07047	45.7
95.04961	4.2
95.08601	4.0
103.05499	3.2
106.04224	4.6
107.08591	41.9
108.04493	24.8
114.43658	3.0
117.03384	5.4
119.31671	2.8
121.02934	4.7
121.06525	11.9
121.10124	18.4
126.05501	2.9
146.24362	3.4
149.02333	46.1
149.05988	32.1
149.09660	3.2
149.12131	6.2
149.13251	100.0
149.14333	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.01873	0.7
55.05510	3.2
61.40192	0.4
62.08582	0.6
65.03947	1.3
67.05510	20.1
69.03416	0.8
69.07081	7.3
74.12865	0.7
77.01514	0.6
79.05500	20.3
81.07063	40.6
83.08626	3.3
88.30728	0.6
88.97858	0.6
89.03883	0.8
91.05484	9.8
93.07045	53.2
95.04951	2.6
95.08607	7.8
103.05441	1.3
105.07033	5.3
107.04976	4.5
107.08596	52.0
108.04483	18.3
119.04880	0.7
119.08534	0.8
121.02837	2.9
121.06505	4.1
121.09293	1.1
121.10132	23.2
121.39643	0.5
125.66918	0.7
126.05532	8.5
129.06868	0.7
131.04947	1.3
131.08543	4.7
146.42848	0.7
148.67621	0.6
149.02315	14.5
149.05968	7.5
149.07117	3.2
149.09619	42.0
149.13255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03939	0.7
65.03938	1.7
67.05507	8.5
69.82919	0.4
79.05499	0.6
86.06083	1.0
87.04448	0.7
88.00823	0.4
88.52989	0.4
93.05797	0.5
94.06564	34.0
94.45257	0.4
95.04955	0.6
104.07103	0.6
104.35102	0.5
106.06554	11.1
109.02880	0.8
121.06482	3.1
122.06027	37.9
132.05547	1.0
143.27686	0.4
148.03853	0.5
150.05499	100.0
150.07768	2.9
150.09125	37.7
168.06532	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.1
56.86720	0.1
58.06597	0.2
58.19754	0.1
63.61701	0.1
65.98531	0.1
70.06593	0.4
72.04519	0.4
73.94882	0.2
76.66952	0.1
85.42020	0.1
86.06057	0.3
88.07637	1.8
92.54984	0.2
94.04070	0.2
100.02493	0.2
104.07115	1.1
109.05135	0.9
118.03539	0.2
119.03588	0.2
123.06700	0.2
127.50062	0.2
129.56313	0.2
132.04488	0.3
132.06577	0.4
132.10220	0.2
133.05104	1.5
135.05292	0.2
138.56819	2.1
147.86264	0.2
150.07750	100.0
151.02388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0774
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
63.52621	0.3
67.05512	0.6
86.06049	0.3
86.09705	0.4
94.06561	2.3
106.06561	0.6
108.04480	0.5
109.04842	1.3
121.06496	0.4
122.06006	2.0
133.05051	1.3
140.17252	0.3
150.05516	8.7
150.07744	100.0
168.06448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02386	0.4
53.03950	2.2
55.01862	0.6
65.03934	3.1
66.34096	0.3
67.05519	5.3
69.03423	0.4
77.03948	1.5
81.03414	0.5
81.07041	0.6
82.26326	0.4
87.00444	0.7
91.05482	5.1
92.20966	0.5
95.04968	25.7
95.08602	0.6
95.48248	0.4
105.03380	2.0
105.04508	4.4
105.07060	0.9
108.02082	3.6
109.06500	0.8
109.10160	0.7
111.04438	0.5
118.17574	0.4
119.04936	4.1
123.04430	1.9
123.08047	0.9
133.65385	0.4
136.01556	19.7
136.05182	0.8
137.06064	0.5
151.03902	100.0
151.07521	12.5
151.11206	1.8
154.02602	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.03967	1.1
53.21795	0.8
55.01880	2.1
56.96568	0.9
65.03941	5.1
67.05510	6.9
71.99792	0.9
81.07053	1.5
91.05474	10.7
95.04959	5.5
95.08670	1.0
105.06995	1.9
107.08619	1.6
108.02100	8.5
109.06493	1.1
111.04475	1.2
112.16618	1.0
116.48199	1.1
119.01791	1.0
119.04948	10.8
123.04462	3.7
123.08080	4.8
128.02290	1.3
133.06560	1.0
133.10098	1.1
141.05466	10.9
151.03899	100.0
151.05040	28.3
151.07541	18.1
151.08664	3.7
151.11148	3.2
151.12283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88352	0.7
53.03957	1.2
55.01881	1.8
55.95975	0.7
56.96571	55.6
57.03441	11.8
58.80036	0.8
60.04526	1.5
60.05130	0.8
61.02928	11.7
67.05492	1.0
68.00273	1.5
69.03436	9.4
73.02916	22.5
74.00264	1.0
74.97608	5.1
75.01958	0.8
77.00789	1.3
81.01060	1.4
81.03412	4.0
83.00787	8.3
84.01546	3.2
84.96037	1.4
85.02914	14.9
86.01292	1.5
87.01043	1.5
87.04469	1.4
89.00767	9.5
90.01549	13.2
92.01273	4.8
93.57245	1.0
94.82710	0.8
95.00733	1.6
95.04991	1.1
96.01542	14.6
97.00521	5.6
97.02892	10.9
97.52074	1.1
97.99180	6.2
98.01287	24.2
98.97580	40.6
99.02075	2.1
99.04449	1.2
100.02473	3.7
100.51550	1.2
101.00753	11.2
101.52328	4.5
103.02437	4.2
104.01293	17.8
105.00375	2.1
105.02062	6.4
105.07059	1.2
106.01028	5.8
107.01810	13.4
107.52351	0.9
109.02884	2.2
109.52128	1.4
110.01283	55.2
110.02048	2.1
110.97552	4.5
113.01770	3.9
115.02425	1.5
115.52042	1.3
116.00250	3.3
116.98618	25.2
118.52630	1.5
119.01795	100.0
121.01581	1.5
121.03471	1.7
121.52048	1.3
123.04415	1.0
123.09245	1.4
125.53367	1.0
127.03914	7.5
128.02322	98.4
128.98550	7.1
130.52579	7.5
131.00089	1.0
133.03467	23.2
134.99644	15.2
135.03156	1.0
137.02844	36.5
137.24358	0.9
139.53137	7.6
139.54057	0.8
140.00223	4.5
140.98563	1.3
144.98090	1.1
146.99667	8.4
149.01228	3.3
149.39801	0.9
151.04631	8.7
151.05879	1.2
151.07465	2.5
151.08731	7.1
151.09677	1.2
158.01221	4.1
158.99583	4.0
161.01205	1.1
162.99159	1.5
165.00714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.69166	0.3
53.03950	0.7
54.58510	0.3
55.01875	2.4
55.05510	0.8
57.03457	0.4
65.03952	4.1
66.53921	0.3
67.05506	9.5
68.99802	0.3
69.03425	0.6
69.84875	0.3
70.84225	0.3
71.04973	0.3
71.91715	0.4
73.07603	0.3
77.03918	0.5
79.05490	3.2
81.03428	1.4
81.07066	6.4
89.06023	0.4
91.05478	12.0
93.07037	3.2
95.04958	9.9
95.08601	4.5
105.03391	0.7
105.04520	0.7
105.07028	14.6
107.04945	0.8
107.08591	9.7
108.02104	5.8
108.05724	0.6
109.02869	1.8
109.06509	2.8
109.10143	4.5
110.03572	1.9
110.05988	0.4
111.04420	2.4
111.07929	0.4
112.01544	0.3
119.04941	7.4
123.04418	6.0
123.08056	7.3
123.11715	3.1
132.95842	0.4
133.02858	2.7
133.06488	6.3
133.10101	3.6
136.01564	0.7
136.05164	0.6
141.05463	11.7
151.03900	100.0
151.05032	29.0
151.06169	6.7
151.07544	19.8
151.08643	1.8
151.11176	7.7
151.12199	1.1
151.13129	1.7
152.04706	0.4
157.58122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
52.78072	0.3
55.01877	0.6
55.05517	0.5
56.96560	0.4
57.07087	0.4
58.12730	0.3
65.03952	3.5
65.04263	0.3
67.05511	4.1
69.03445	0.5
69.07058	0.5
69.82158	0.4
73.33863	0.3
79.05496	2.6
80.06243	0.4
81.03434	1.5
81.07059	7.7
91.00522	0.7
91.05482	76.2
93.07038	4.4
95.04966	11.3
95.08604	3.3
96.83215	0.3
97.15834	0.3
97.82765	0.4
105.04506	0.6
105.07048	4.1
107.04942	0.7
107.08598	4.1
108.02084	0.5
108.05741	3.3
109.06499	5.1
109.10149	4.1
109.67894	0.3
116.51806	0.3
119.04940	65.1
121.06482	0.6
123.04430	1.7
123.08064	8.5
123.11722	5.7
133.06474	0.5
133.10130	3.9
134.06017	0.6
136.05196	12.1
137.05997	7.7
141.05475	0.9
151.03955	15.1
151.07541	100.0
151.11107	7.8
155.76936	0.4
165.64102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
58.69632	0.5
59.97427	0.6
65.03945	2.9
65.25922	0.5
67.05482	1.0
68.92848	0.7
79.05494	0.8
81.07065	0.8
91.05483	89.2
93.07040	0.8
95.04972	16.0
95.08565	0.8
105.07015	2.5
107.08624	1.3
108.05714	0.9
109.06516	1.1
119.04941	76.7
123.04411	3.4
123.08056	2.7
133.02847	3.7
133.07608	3.5
136.05202	11.2
137.05968	7.7
144.91417	0.6
151.03981	9.5
151.04985	2.1
151.07544	100.0
151.08595	4.7
152.47639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	8.8
57.03433	9.5
60.00088	1.6
60.01729	1.6
60.04528	16.5
60.78510	1.6
61.02924	4.8
61.08231	1.7
65.76555	1.6
67.07118	2.1
68.05016	7.8
69.03438	21.1
69.84940	1.9
69.98124	2.0
70.06579	13.0
71.01350	1.7
71.04990	4.8
72.04488	1.9
73.02927	4.7
80.05031	2.7
81.03404	3.4
81.24574	2.0
88.69735	2.0
91.11952	1.8
97.02896	4.2
98.06057	21.3
99.04459	35.0
102.02351	2.2
103.02413	2.3
113.53197	3.4
116.07101	8.2
117.04727	1.9
117.05474	14.4
118.03471	3.8
119.01958	2.1
124.07604	7.5
130.03485	2.8
134.08130	22.3
136.04527	2.2
137.09483	8.5
140.54758	10.6
147.01387	7.1
147.03087	2.3
152.07280	15.4
152.09174	100.0
152.11823	9.1
170.02962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65369	0.2
59.88111	0.2
62.08544	0.3
70.41511	0.2
75.48709	0.2
91.05490	0.6
92.05824	1.5
92.21474	0.3
93.07037	0.3
96.04518	0.4
96.08133	1.4
100.55356	0.3
106.06550	0.4
107.04973	1.6
107.66257	0.3
109.05107	0.6
110.03551	3.4
110.06023	0.4
116.29549	0.3
120.05287	1.8
121.06498	5.9
124.07587	5.8
128.04593	2.2
134.05989	0.5
135.03014	6.4
135.04428	1.6
135.05392	0.4
136.01405	0.4
152.05688	100.0
152.07005	9.6
152.10587	2.2
153.04074	16.4
153.46513	0.2
153.47879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
59.46508	0.2
60.05254	0.2
60.35901	0.2
71.53201	0.3
75.54314	0.2
77.03940	0.3
79.05486	0.4
80.05025	0.4
81.03415	0.3
106.06554	2.5
107.04952	10.1
109.02890	0.7
109.05138	0.7
110.03520	5.1
124.07585	1.6
128.04555	2.8
134.06039	2.9
135.03029	7.1
135.04416	7.6
147.80060	0.3
152.05681	100.0
152.07022	10.9
153.04062	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
55.05518	0.7
56.96577	0.5
57.29793	0.4
59.05564	0.4
60.94588	0.3
61.12181	0.4
62.85412	0.4
64.35282	0.4
67.05505	2.2
68.05033	2.4
69.07075	12.0
78.03455	0.9
79.05506	4.3
80.05025	4.2
81.05814	1.0
81.07056	0.9
82.06596	0.9
83.04980	1.0
88.00485	3.2
91.66867	0.4
93.05762	0.8
94.06567	10.1
95.04957	0.8
95.07322	2.1
96.04527	0.9
96.08136	100.0
97.01019	5.1
97.02873	0.6
99.51251	3.5
106.06554	8.5
107.04977	3.2
108.04480	8.1
108.08184	0.5
109.05302	0.9
110.06040	2.4
111.04435	1.6
115.96435	1.0
121.06446	0.7
122.06052	1.0
123.04381	0.6
123.06805	0.7
124.03984	1.8
124.07597	25.5
133.97481	0.9
134.06013	6.8
135.03075	0.8
135.04359	0.4
152.01643	0.7
152.03445	30.8
152.05704	19.5
152.07083	60.1
152.10654	5.4
153.04076	3.1
170.04478	1.9
173.65753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1434
Annotation	Amantadine
Peak:m/z	Relative Intensity
53.90459	2.0
54.90751	2.6
67.05506	4.5
69.07079	3.2
74.09189	2.4
79.05530	9.5
80.35138	2.6
81.07063	4.9
82.06609	3.0
84.08138	2.5
85.83957	2.7
88.00479	11.9
88.02384	3.2
93.07042	14.7
95.08631	3.1
96.08125	4.8
97.01006	18.5
97.02915	3.2
99.51276	14.4
106.16746	2.5
107.08600	15.8
108.51793	5.6
109.10160	2.9
109.74421	2.5
111.78388	2.6
120.52121	2.4
124.07621	4.4
135.11690	13.1
152.03412	11.1
152.07033	9.9
152.08060	5.4
152.14351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03008	0.7
59.84875	0.3
60.04782	0.4
65.03941	0.9
67.31039	0.4
74.34846	0.4
93.03384	1.9
97.06519	0.4
102.87452	0.4
110.03530	21.1
111.04445	2.1
115.79351	0.4
115.98534	0.4
122.06754	0.4
125.05956	1.0
128.04570	3.4
135.02979	0.5
136.01421	36.2
136.23196	0.4
145.58670	0.4
153.04076	100.0
154.02470	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
52.20260	0.4
52.41491	0.3
53.03971	0.5
55.01873	0.6
55.03003	0.5
55.05509	0.4
57.03443	2.3
59.48906	0.3
61.02932	0.5
65.03958	2.9
67.05498	2.0
69.03440	7.9
69.07066	0.4
70.95868	0.4
71.01332	0.6
71.04983	0.6
72.62724	0.3
73.02924	0.5
79.05495	3.4
81.03429	0.9
81.07067	2.2
82.04057	0.5
83.04977	0.5
85.06561	0.4
87.04456	1.5
93.03426	5.1
93.07085	0.7
94.04176	0.8
95.04967	0.8
95.08635	0.4
97.06527	3.0
98.97556	0.6
99.04469	2.9
107.04967	3.2
109.06520	1.0
110.03532	20.6
111.04448	8.0
117.05525	1.8
121.02853	0.7
121.06482	0.7
122.06851	3.8
125.05996	6.8
125.07986	0.5
128.04553	4.3
135.02992	0.8
135.04443	1.8
135.08112	0.4
136.01428	31.7
136.03961	1.5
153.04088	100.0
153.10179	4.2
153.12764	0.9
154.02477	32.7
161.02896	0.4
168.95819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	alpha-Campholenal
Peak:m/z	Relative Intensity
55.05510	0.9
57.03433	0.2
57.07078	2.3
59.04998	0.3
65.03947	0.4
67.05177	0.3
67.05508	5.8
69.07070	6.9
77.36137	0.2
79.05476	1.9
81.07062	4.5
83.04974	0.4
83.08606	1.1
91.05478	0.4
93.03412	0.2
93.07038	6.0
95.08601	6.0
97.06520	1.8
107.08598	10.2
107.59265	0.2
109.10157	100.0
111.04421	0.5
111.08104	0.4
111.11731	1.7
125.06005	0.5
125.13253	0.2
135.11693	8.4
150.05617	0.2
153.05437	0.3
153.12753	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00319	4.1
53.03957	1.8
55.01884	0.6
55.05525	9.7
57.03440	0.9
57.07077	0.7
58.54176	0.4
59.05006	7.9
65.03945	4.4
67.05521	4.8
69.03428	1.9
69.07068	10.6
70.94242	4.6
70.95866	3.6
71.04996	38.4
73.06557	26.0
77.03923	0.5
79.05501	21.7
81.07061	100.0
81.23115	0.5
83.04965	3.1
83.08601	1.8
85.06551	0.8
88.95292	3.3
88.96898	2.4
89.00269	2.3
91.05474	6.2
93.03399	4.7
93.07043	46.8
95.04975	5.0
95.08617	8.8
95.39380	0.4
97.06532	11.2
98.00761	1.7
100.51057	2.6
105.07018	1.7
107.04965	5.4
107.08598	42.0
109.06528	3.7
109.10158	8.6
110.03697	1.5
110.08408	0.5
110.09669	0.5
111.04441	14.9
111.08073	5.9
111.96874	7.1
111.98474	2.1
119.08578	1.0
120.06881	0.5
121.02872	2.1
123.09185	3.4
125.06004	10.0
125.09608	2.3
129.97949	3.1
135.04414	3.5
135.08060	1.8
135.09166	9.5
135.11694	36.7
136.03931	2.3
153.01849	3.3
153.05460	10.7
153.06744	3.1
153.09081	3.5
153.10228	11.1
153.12747	23.7
171.71269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.09059	1.0
53.00317	2.1
53.03955	1.8
55.05515	9.2
57.07085	2.2
59.04994	7.1
65.03941	6.6
67.05499	6.8
69.03445	2.3
69.07073	12.5
70.94251	8.8
70.95862	7.1
71.04996	40.2
73.06559	20.7
79.05499	33.8
81.07062	100.0
83.04964	5.7
83.08627	1.7
88.95269	1.8
91.05471	2.6
93.03391	11.0
93.07047	43.1
95.04953	7.7
95.08610	7.9
95.51985	1.4
97.06537	14.9
100.37618	1.4
100.51049	1.5
107.04944	6.9
107.08604	40.5
109.06534	2.9
109.10165	12.5
111.04443	18.2
111.08095	10.9
111.96874	11.3
125.05990	21.2
129.97887	2.7
135.04439	2.4
135.08089	2.4
135.11694	32.7
136.03902	2.1
137.66458	1.5
153.05478	21.2
153.06551	2.4
153.09084	8.0
153.10185	1.9
153.12740	22.6
153.13826	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00316	2.2
53.03942	1.4
54.83747	0.8
55.05522	12.4
56.73649	0.8
57.07054	0.8
58.56871	1.1
59.05010	8.7
63.31539	0.8
65.03917	0.8
65.69797	0.8
67.05508	3.9
69.03446	1.6
69.07063	11.4
71.04996	39.4
71.34822	0.8
73.06558	27.6
79.05497	21.2
81.07065	100.0
83.04986	1.5
83.08647	1.0
91.05473	6.2
92.13667	1.0
93.03372	1.3
93.07042	48.8
95.04975	1.7
95.08620	8.9
97.06551	9.6
104.44498	0.9
105.07004	1.0
107.04990	0.9
107.08602	44.8
109.10169	9.7
111.04482	1.2
111.08092	10.6
125.05975	2.1
135.08087	6.7
135.11694	38.3
135.12686	1.7
153.05452	5.2
153.06586	1.2
153.09145	9.0
153.12740	23.1
171.36487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0498
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
53.16127	0.2
55.57829	0.2
55.83192	0.2
56.96582	0.2
60.08167	0.2
60.25554	0.2
65.03946	1.5
68.05034	0.2
71.94090	0.5
79.05527	0.2
80.05022	1.3
82.06580	0.4
84.04506	1.3
86.96254	0.2
92.05017	2.7
93.03389	1.2
94.06581	0.4
95.06097	1.2
105.02050	0.3
108.04476	5.1
108.05273	1.4
108.08120	1.4
109.05275	0.3
110.06039	1.5
111.04437	2.4
112.04727	0.5
112.07575	0.4
112.96697	0.3
126.05484	1.6
126.09145	1.3
131.01898	1.3
136.03931	8.7
136.04819	0.5
136.06226	2.5
136.07573	9.6
144.91135	0.3
149.45674	0.2
154.04988	100.0
154.08556	6.3
154.12233	0.5
154.13383	1.4
170.98320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0499
Annotation	3-Hydroxyanthranilic acid
Peak:m/z	Relative Intensity
52.76596	0.2
53.50067	0.2
56.05035	0.3
58.51796	0.3
65.03954	3.1
65.76879	0.2
66.42767	0.2
68.05016	1.4
69.03434	0.5
70.39008	0.2
71.93735	0.3
71.94104	6.5
80.05038	2.3
80.93645	0.3
81.03423	0.4
82.06584	1.2
84.04511	1.3
84.18826	0.3
86.06061	0.3
87.04457	0.5
89.95128	0.3
92.04999	3.9
92.21416	0.4
93.03411	2.9
94.04041	0.3
94.06544	1.9
98.06055	0.6
108.04487	8.2
108.05227	0.6
108.08103	0.6
109.02888	0.5
109.05276	1.3
109.06500	0.6
110.06039	11.0
111.04452	7.0
112.03988	0.5
112.04735	0.5
112.07619	2.6
112.96698	4.6
126.05510	7.3
126.06387	0.5
126.09142	1.5
127.05816	0.5
130.97751	1.5
136.03937	16.2
136.07562	2.6
137.05951	1.2
139.03873	0.3
154.04987	100.0
154.08551	6.6
154.12192	0.4
155.05266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Dopamine
Peak:m/z	Relative Intensity
51.61223	0.2
54.45517	0.1
61.94542	0.2
63.58773	0.2
65.03941	1.0
70.06586	0.9
71.94094	1.2
81.07037	0.3
91.05482	14.2
94.06608	0.2
95.06086	0.9
95.35793	0.2
109.06527	1.3
110.06055	1.1
112.07600	0.4
112.96706	0.9
116.02528	0.2
116.42707	0.2
119.04943	12.4
126.05524	3.2
129.44057	0.2
136.06203	0.4
136.07544	0.3
137.05981	100.0
144.55096	0.2
154.04979	5.5
154.06041	0.2
154.08614	4.5
154.09766	7.0
154.12282	0.3
154.13440	0.7
171.82800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
79.05511	0.1
79.95430	0.1
81.07057	0.2
87.16949	0.1
91.05485	14.9
95.06094	0.1
109.06517	1.3
112.08852	0.1
119.04945	12.9
126.05539	0.2
137.05981	100.0
141.30945	0.1
154.05002	0.4
154.08611	0.9
154.09792	0.5
154.13358	0.2
163.24811	0.1
173.83699	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	16.5
65.19987	0.6
68.05013	0.8
71.94102	6.6
75.35345	0.8
86.15378	0.7
88.18014	0.8
91.05477	6.1
95.06092	65.6
102.09995	0.7
110.05974	1.0
112.96717	6.1
113.00867	1.8
119.04936	3.8
126.05498	3.6
130.97726	0.9
131.01898	8.8
136.04710	0.8
137.05980	39.6
141.58366	0.8
143.82434	0.9
149.02954	0.8
152.19875	0.7
154.03558	1.5
154.04990	7.0
154.08606	3.3
154.09789	5.4
154.13388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22640	0.5
59.87374	0.6
60.08173	14.3
64.97868	0.7
65.44771	0.6
67.05505	0.8
68.05016	0.9
70.67672	0.6
71.94101	100.0
80.05026	1.1
89.95136	10.3
91.05466	1.5
95.06088	64.8
100.02407	0.9
105.02122	0.8
108.04465	1.1
108.05245	0.7
108.08132	0.9
110.06055	1.1
111.02917	0.8
112.07587	1.0
112.96710	72.6
113.00105	0.7
113.00811	2.3
119.01926	1.2
119.04949	1.4
126.05476	4.0
130.97742	17.7
131.01900	13.6
136.07597	4.6
137.05959	7.3
142.03511	1.5
148.98781	0.9
149.02988	3.1
154.03517	4.7
154.04982	13.9
154.07367	0.9
154.08614	6.8
154.09782	4.2
154.13383	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.5
60.08181	4.3
60.76361	3.1
66.10531	3.1
66.50569	3.1
69.96155	7.0
70.70863	3.7
71.94078	5.5
77.87341	3.6
82.01451	7.3
88.02474	7.2
95.06071	16.5
96.05849	5.4
96.06410	34.0
98.09677	8.4
100.02480	100.0
101.02561	3.4
101.37537	3.7
106.03611	3.8
114.04025	6.8
116.98547	4.3
118.03510	42.5
119.01919	15.4
129.51945	4.0
131.01909	23.3
131.96126	35.1
132.01955	33.7
132.03268	16.7
132.05072	5.8
133.99777	13.6
138.01633	19.7
141.00510	37.0
143.00246	32.0
149.97198	61.9
150.01009	5.2
150.03142	5.1
150.04356	6.8
152.00864	4.8
152.23941	3.8
155.00235	14.4
155.01900	7.6
155.04355	45.8
155.11804	5.1
155.13771	73.1
158.98167	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05516	1.1
56.96579	4.9
57.03437	3.0
58.99871	2.7
62.27673	0.5
62.61988	0.5
65.03947	1.2
65.86095	0.6
66.35072	0.5
67.05510	8.1
68.05023	1.0
69.03419	2.5
69.04548	3.7
69.99493	0.6
70.06593	6.4
71.05003	1.3
72.08154	3.4
72.93790	40.5
73.02914	3.0
73.88847	0.5
77.00884	2.4
81.03419	1.2
81.07047	4.0
82.01450	12.8
83.03482	0.7
83.04964	2.7
83.48326	0.6
84.04504	1.0
84.08146	18.4
85.02901	2.9
86.03078	0.6
86.06069	12.4
87.04454	2.8
88.02728	0.7
90.94827	23.1
91.02396	0.7
91.69973	0.6
94.06561	0.8
95.05004	4.3
95.06107	1.3
95.08561	0.7
96.04490	6.9
97.02875	1.3
98.06094	0.6
98.97563	1.2
98.98462	1.2
99.00828	2.9
100.02485	100.0
101.00862	2.9
101.03455	1.3
102.02412	1.5
103.02479	0.8
103.03184	2.4
108.95862	3.2
109.02875	1.2
109.06529	3.0
109.07639	1.3
109.10133	1.3
109.55515	0.7
110.01319	1.2
110.03957	1.5
110.06040	0.9
110.09663	0.8
111.02083	1.4
111.02930	3.4
111.04434	6.1
111.05569	1.0
111.08131	0.8
111.53067	0.8
112.07563	0.7
113.00883	5.9
113.05993	0.9
113.96401	58.2
114.00958	3.4
114.04021	8.3
114.06646	1.6
118.03519	44.5
119.01896	13.0
123.03907	2.8
125.01777	0.8
126.05527	2.5
127.03917	3.1
127.07489	0.7
127.12305	8.9
128.02303	1.2
131.01906	36.6
131.96336	1.0
131.97432	28.4
132.01967	15.7
132.05112	6.2
133.03464	6.4
134.02310	0.7
134.99657	0.7
135.03233	1.2
137.06015	1.3
137.07086	3.5
137.07982	1.5
137.10725	5.6
138.01855	1.0
138.06342	2.7
138.09155	15.8
141.05016	1.1
144.97928	0.9
145.03467	1.4
147.05029	3.3
149.02959	5.6
149.97192	1.0
150.02998	2.3
151.04483	1.1
155.01904	9.0
155.03505	5.0
155.05414	8.3
155.06934	2.4
155.08026	10.4
155.09227	1.0
155.11774	24.4
155.13728	0.7
161.02919	1.0
173.02928	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05514	0.2
56.96566	1.2
57.03444	0.3
58.99849	1.9
67.05506	0.5
69.03408	0.2
70.06590	0.2
70.54344	0.2
70.67926	0.2
70.99847	0.3
71.58189	0.2
71.94117	0.2
72.93788	21.0
73.02911	0.9
76.65927	0.2
77.00903	1.4
82.01447	18.2
83.04958	0.2
84.08143	3.9
85.02937	0.3
86.06062	0.4
87.04459	0.2
90.94824	10.1
90.95381	0.4
91.02451	0.9
93.53481	0.3
94.06557	1.6
95.04976	0.3
96.04492	0.9
97.02870	0.3
100.02481	100.0
101.00894	1.2
102.02959	0.2
102.52491	0.9
105.00327	0.2
108.95863	1.3
109.06490	0.2
111.02892	0.8
111.04443	0.3
112.07613	3.1
113.00856	2.5
113.96396	27.1
114.00983	0.9
114.03229	0.4
114.04022	9.0
115.02462	0.2
116.02140	0.3
118.03514	39.6
119.01911	4.1
120.01881	0.3
120.46182	0.2
122.53692	0.2
123.04032	2.6
127.12316	1.3
131.01904	12.0
131.96187	1.6
131.97427	11.6
132.01971	5.4
132.05060	5.9
133.03482	1.0
136.04585	0.4
137.02928	0.4
137.07062	0.5
137.10715	0.2
138.01855	2.2
138.05498	1.9
138.09151	1.0
141.05113	1.3
142.03520	0.9
143.03572	0.3
145.03482	0.8
149.02957	1.6
149.97197	2.0
150.03102	1.0
155.01903	2.9
155.03674	1.5
155.05389	0.5
155.06917	0.4
155.08197	1.1
155.11794	3.9
155.13736	0.3
156.02838	0.3
173.02945	2.2
173.04353	0.2
174.05086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
62.82277	0.1
65.00102	0.1
66.58489	0.1
67.05498	0.9
72.93790	8.5
81.07061	0.2
90.94823	2.0
95.04958	0.7
95.08597	0.2
96.27245	0.1
98.98466	100.0
100.91017	0.1
109.10178	0.3
110.90127	0.2
111.56142	0.1
113.26474	0.1
113.96395	9.9
116.34395	0.1
116.99488	1.9
123.04405	0.3
127.01563	6.7
130.86006	0.1
131.97441	3.7
154.99002	0.2
155.04706	0.3
155.07019	0.1
155.08534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0702
Annotation	Musacin D
Peak:m/z	Relative Intensity
50.31040	0.2
51.02395	0.3
53.00319	0.4
53.03963	3.8
55.01889	2.7
55.05529	0.3
57.07087	2.6
65.03952	2.0
67.05506	7.4
67.05836	0.3
71.01279	0.2
71.04986	1.1
72.93793	23.3
75.81227	0.3
77.03938	2.9
80.60367	0.2
81.03425	1.1
81.07056	1.8
81.53667	0.3
85.06561	0.4
90.94831	5.8
93.03451	0.4
95.04970	100.0
95.08618	1.4
98.98517	0.3
99.00812	2.1
99.04474	1.0
99.08113	0.5
105.04523	8.3
108.95869	0.4
109.02883	0.6
109.06557	0.3
109.10163	4.1
111.04460	0.3
111.08110	0.3
113.96401	27.7
121.03993	0.5
123.04429	70.0
127.03920	1.1
131.97438	10.4
137.09627	1.4
140.04655	0.4
155.07034	8.8
155.08450	2.0
155.35239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22683	0.2
53.03962	0.4
55.01873	0.3
65.03947	2.1
67.05514	2.2
71.04993	0.3
72.93790	16.0
75.72440	0.2
77.03949	0.3
79.05506	0.8
81.03430	0.4
81.07060	2.1
90.94827	5.3
91.05481	47.7
93.03394	0.3
94.06567	0.3
95.04965	13.1
95.08581	0.2
97.02870	0.3
98.98473	1.2
99.04436	0.2
105.04517	0.8
107.04991	0.3
108.95873	0.7
109.02888	1.2
109.06525	5.0
109.10136	0.2
111.04456	1.6
112.07632	1.5
113.06000	0.2
113.96400	19.0
119.04940	32.6
119.14624	0.2
123.04424	8.9
124.04749	0.7
125.02401	0.4
127.03918	0.9
131.96297	0.4
131.97429	8.2
134.05818	0.2
137.05981	100.0
138.01849	1.0
138.05492	0.2
140.04677	9.9
149.97102	0.6
155.01654	0.4
155.03418	0.4
155.04399	0.2
155.05420	0.3
155.07011	2.5
155.08258	1.1
155.10597	0.3
156.12685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22683	0.2
53.03962	0.4
55.01873	0.3
65.03947	2.1
67.05514	2.2
71.04993	0.3
72.93790	16.0
75.72440	0.2
77.03949	0.3
79.05506	0.8
81.03430	0.4
81.07060	2.1
90.94827	5.3
91.05481	47.7
93.03394	0.3
94.06567	0.3
95.04965	13.1
95.08581	0.2
97.02870	0.3
98.98473	1.2
99.04436	0.2
105.04517	0.8
107.04991	0.3
108.95873	0.7
109.02888	1.2
109.06525	5.0
109.10136	0.2
111.04456	1.6
112.07632	1.5
113.06000	0.2
113.96400	19.0
119.04940	32.6
119.14624	0.2
123.04424	8.9
124.04749	0.7
125.02401	0.4
127.03918	0.9
131.96297	0.4
131.97429	8.2
134.05818	0.2
137.05981	100.0
138.01849	1.0
138.05492	0.2
140.04677	9.9
149.97102	0.6
155.01654	0.4
155.03418	0.4
155.04399	0.2
155.05420	0.3
155.07011	2.5
155.08258	1.1
155.10597	0.3
156.12685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
52.22683	0.2
53.03962	0.4
55.01873	0.3
65.03947	2.1
67.05514	2.2
71.04993	0.3
72.93790	16.0
75.72440	0.2
77.03949	0.3
79.05506	0.8
81.03430	0.4
81.07060	2.1
90.94827	5.3
91.05481	47.7
93.03394	0.3
94.06567	0.3
95.04965	13.1
95.08581	0.2
97.02870	0.3
98.98473	1.2
99.04436	0.2
105.04517	0.8
107.04991	0.3
108.95873	0.7
109.02888	1.2
109.06525	5.0
109.10136	0.2
111.04456	1.6
112.07632	1.5
113.06000	0.2
113.96400	19.0
119.04940	32.6
119.14624	0.2
123.04424	8.9
124.04749	0.7
125.02401	0.4
127.03918	0.9
131.96297	0.4
131.97429	8.2
134.05818	0.2
137.05981	100.0
138.01849	1.0
138.05492	0.2
140.04677	9.9
149.97102	0.6
155.01654	0.4
155.03418	0.4
155.04399	0.2
155.05420	0.3
155.07011	2.5
155.08258	1.1
155.10597	0.3
156.12685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57618	0.2
53.03968	0.2
57.03464	0.2
61.11657	0.2
65.03941	0.7
65.17985	0.2
67.05512	4.3
68.05037	1.0
70.02923	0.2
70.06588	0.2
71.04984	0.3
72.93790	2.0
79.05503	0.3
81.03436	0.3
81.07079	0.5
90.94839	0.4
91.05484	0.3
93.03419	0.4
93.05780	0.2
94.02936	0.5
94.06572	35.7
95.04973	1.2
95.08624	0.2
95.26490	0.2
96.04488	1.9
98.98460	2.0
107.04953	0.2
109.02899	0.8
109.06544	0.4
109.07668	0.3
109.10126	0.3
111.04410	1.6
112.07608	100.0
113.03513	0.9
113.96402	3.3
123.04438	0.8
126.05516	0.4
127.03905	0.9
131.96216	0.5
131.97427	1.2
137.02286	0.3
137.03401	0.2
137.07124	2.6
138.01840	0.9
138.05508	7.6
138.09079	0.2
140.04639	0.3
149.97203	0.9
155.03305	0.8
155.05447	1.9
155.08139	11.8
155.11792	0.4
156.02872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03967	1.5
55.01884	0.9
55.05515	6.9
57.07087	24.3
59.05015	1.1
59.69048	0.6
65.03944	1.1
67.05508	22.9
69.07070	2.8
69.65086	0.7
69.71428	0.6
71.01346	3.8
71.05000	23.4
72.93792	91.7
77.03901	0.7
79.05486	2.6
81.07069	17.2
83.04967	0.9
83.08598	0.8
85.06543	4.5
87.17336	0.6
90.94834	27.7
93.07052	3.2
95.04974	31.2
95.08612	23.0
97.06544	0.9
98.98470	0.7
99.00826	1.1
99.04462	19.1
99.08109	2.6
105.04514	1.1
107.08590	0.8
108.95861	3.3
109.02850	0.7
109.06519	3.7
109.10158	48.5
111.08090	1.6
113.06005	3.3
113.09665	0.8
113.96402	100.0
118.71845	0.6
119.08561	1.1
123.04434	17.4
131.97440	41.1
131.98442	1.4
135.31226	0.7
137.06009	1.1
137.07060	0.7
137.09616	12.7
140.32127	0.7
155.03325	0.9
155.07130	4.6
155.08977	5.9
155.10660	8.2
155.14302	3.5
159.47986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
55.01884	0.6
55.05520	13.6
55.24809	0.4
57.03445	3.2
57.07084	0.9
59.05011	4.3
65.03957	1.1
67.05509	100.0
67.51704	0.4
67.67100	0.4
69.07076	2.5
71.04994	2.5
72.08147	0.8
72.93799	2.3
78.18726	0.4
79.05511	0.9
80.38037	0.5
81.07062	15.7
83.08618	6.2
85.06545	2.1
87.70480	0.4
88.70045	0.4
88.89614	0.5
90.94848	1.1
91.05474	4.4
93.07042	1.9
94.12678	0.4
95.04948	0.7
95.08581	3.1
97.07626	0.7
98.07117	0.5
98.98457	9.7
102.50850	0.4
104.15972	0.4
107.08604	2.2
109.10154	29.1
110.07172	1.7
111.08080	3.6
112.08727	6.3
112.12767	0.5
113.08289	0.6
113.96399	4.2
114.09156	0.6
114.10296	1.7
119.08565	1.6
131.97475	1.7
137.09648	0.8
138.06635	2.6
138.10243	0.6
155.01112	0.6
155.07153	0.7
155.08476	6.8
155.11760	0.9
155.12900	9.6
163.14259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
55.01876	0.5
55.05519	14.0
56.59178	0.6
57.03434	3.3
57.07075	1.6
59.05005	5.1
64.91661	0.6
65.03940	2.8
65.27170	0.6
67.05509	100.0
68.98924	0.6
69.03410	0.7
69.04554	0.6
69.07066	2.6
71.04987	3.7
72.08150	3.1
72.93787	2.9
75.22660	0.5
79.05495	1.3
81.07061	17.0
83.05442	0.6
83.08614	7.1
84.05624	0.8
85.06533	1.2
85.07679	0.8
90.71259	0.7
90.94827	1.5
91.00133	0.7
91.05479	4.1
93.07024	1.4
95.04994	1.0
95.06083	1.1
95.08618	5.3
95.93822	0.6
98.07180	4.4
98.98462	14.6
100.00646	0.9
102.50908	1.6
107.08572	1.2
109.10155	35.4
110.07172	3.4
111.08071	3.8
112.08718	14.6
113.06017	0.8
113.08315	0.9
113.09499	0.9
113.96411	4.7
114.06679	0.7
114.10291	3.8
119.08569	1.4
127.85876	0.7
131.97452	1.3
134.78955	0.6
137.07098	0.9
137.09608	1.2
138.05380	0.5
138.06589	4.8
138.10269	1.5
148.07982	0.6
153.07124	0.8
155.07115	1.3
155.08360	7.8
155.10689	2.0
155.11772	1.4
155.12898	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.8
55.05521	14.1
57.03431	3.7
57.07075	1.2
59.04993	3.8
65.03949	1.3
67.05510	100.0
69.07056	1.0
71.04988	3.6
71.06128	0.8
72.08157	11.6
72.93793	5.2
79.05505	1.0
81.07061	16.3
81.07505	1.1
83.06110	0.5
83.08623	7.0
85.06535	1.4
85.07667	1.0
90.94807	3.1
91.00104	3.8
91.05478	4.9
91.32583	0.5
92.34623	0.6
93.07025	1.2
94.06531	0.6
95.04933	1.2
95.06100	0.5
95.08593	3.8
97.07667	0.5
98.07187	8.8
98.98467	19.7
100.00621	3.1
102.45791	0.6
102.50903	4.1
107.08591	2.5
109.01180	0.9
109.10155	30.2
110.07174	3.4
111.08074	3.4
111.51416	0.9
112.07598	1.0
112.07891	0.8
112.08729	18.8
112.09496	1.2
113.07113	0.9
113.08269	0.7
113.09494	3.9
113.96417	7.0
114.06657	0.8
114.09179	1.3
114.10284	16.0
114.12814	0.9
119.08572	1.0
127.01554	0.7
131.97421	3.4
137.09637	1.0
138.05598	0.8
138.06631	3.3
138.10255	2.0
155.01050	3.4
155.03290	0.6
155.07088	1.1
155.08411	2.7
155.12907	78.8
158.90108	0.6
161.71289	0.7
165.30557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1177
Annotation	Loline
Peak:m/z	Relative Intensity
50.29760	0.2
64.10917	0.2
67.15066	0.2
70.06585	1.4
76.00928	0.2
94.06560	0.3
96.04479	1.2
97.61956	0.3
99.75405	0.3
108.20076	0.3
112.07584	1.9
113.96369	0.3
137.07135	1.0
137.10750	1.9
155.05383	1.0
155.08144	1.7
155.11787	100.0
173.74715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44137	0.4
55.01873	0.9
55.05528	0.7
56.05038	0.6
56.94311	0.7
56.96573	8.1
57.03433	2.0
58.99878	0.9
59.05002	0.5
61.02924	2.3
66.00535	0.6
67.05515	0.5
68.05013	0.6
69.03434	4.5
69.53289	0.5
70.06587	1.2
70.95865	3.9
71.04970	0.9
72.08163	0.5
72.93788	2.4
73.02926	4.2
73.93826	0.5
74.09704	1.9
75.01038	1.0
77.00932	0.5
77.55511	0.4
80.00221	0.4
81.03437	1.0
81.59541	0.4
82.01443	1.1
82.05350	0.7
82.06599	0.9
82.48607	0.6
83.00785	2.0
83.01517	0.8
83.06093	4.0
84.01572	10.8
84.04457	0.4
84.08147	1.2
85.01411	2.9
85.02892	6.5
85.07713	0.5
86.02421	0.6
86.06091	0.7
87.04460	0.9
88.96900	1.0
89.00776	0.9
90.01556	0.8
90.94834	2.9
92.01302	0.9
93.02095	9.6
93.04521	2.2
95.00781	0.6
95.06089	5.7
96.01532	3.7
96.02442	0.7
96.04498	2.4
97.02890	5.4
97.03448	0.7
97.78091	0.5
98.01283	0.9
98.97580	1.1
99.02052	0.9
99.04455	2.2
100.02496	5.9
100.07644	0.6
100.99165	0.6
101.00863	6.7
101.02544	5.2
102.01540	2.4
103.02450	15.8
104.01242	0.6
105.02080	13.2
105.02824	0.9
108.01532	0.7
109.02260	0.8
109.02921	0.7
110.01242	0.9
110.06088	4.0
110.07167	100.0
111.02071	12.4
111.98463	3.0
112.02835	2.3
112.99133	0.6
113.96394	2.4
114.02588	2.1
114.09136	0.6
114.96758	0.6
115.00630	1.0
115.02424	16.2
115.03158	1.1
115.03894	7.8
116.98585	0.8
117.02065	4.6
118.02817	2.5
118.03562	2.1
119.01907	28.9
119.03637	2.6
120.02615	8.5
120.08107	2.1
121.03510	5.9
124.02834	0.6
124.03625	3.6
126.02567	3.2
126.04054	1.9
127.03970	1.1
128.02341	2.4
129.03035	0.7
129.99548	0.6
130.06281	0.8
131.00174	10.4
131.01889	1.1
131.97429	0.9
132.02023	0.6
132.95833	14.0
133.01700	5.2
133.03464	89.6
135.03130	0.9
136.10228	0.5
137.02956	5.3
138.04018	3.0
138.05499	6.4
138.09149	6.0
142.03511	15.2
144.05096	0.9
147.03114	1.0
149.01221	21.6
150.96884	11.8
151.02679	0.9
151.04509	17.0
155.97433	0.9
156.04155	3.9
156.05084	16.7
156.06534	9.1
156.07712	13.8
156.10182	10.9
156.12146	0.9
156.17465	2.7
160.04550	3.3
167.02277	6.6
173.98451	1.0
174.06114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14726	1.0
51.10743	0.8
52.65050	0.8
54.73964	0.8
56.96538	0.9
65.00945	0.9
70.06573	1.7
70.95879	1.6
71.68285	1.0
73.02920	2.0
74.09715	17.1
82.01472	1.1
83.06075	1.5
84.01548	2.1
85.01401	1.3
85.58718	1.0
88.25361	1.1
93.02071	1.9
95.06067	2.3
96.96889	2.0
97.02863	1.8
100.02460	6.2
101.00883	13.8
101.02580	5.8
103.02451	7.2
105.02073	2.3
110.07162	58.8
111.02032	2.0
111.98466	1.3
112.05278	1.7
112.22930	1.1
115.02418	7.7
115.04088	1.0
117.02031	1.0
119.01913	54.6
119.03613	1.6
120.02594	1.9
121.03487	4.2
124.02450	5.7
126.61246	0.9
128.02338	1.5
130.06293	17.0
131.00168	2.4
132.95831	6.0
133.02518	1.8
133.03468	37.4
137.02032	1.2
137.02951	10.8
138.03848	1.0
138.09123	1.9
142.03488	28.3
147.03226	1.3
149.01190	4.8
150.96872	1.8
151.04509	8.5
151.30682	0.9
156.04190	100.0
156.06433	4.2
156.07576	9.3
156.10185	4.7
156.12169	2.2
160.04510	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
58.99845	0.4
70.06596	0.6
70.95847	2.6
72.93774	1.5
74.09700	0.6
75.45161	0.4
82.01436	2.6
82.05290	0.5
82.06590	0.7
82.99820	0.5
83.01492	4.6
83.06081	3.9
84.04502	0.5
85.01375	0.6
87.04495	0.5
88.96889	0.5
90.94837	0.6
93.04005	0.4
93.04513	3.6
95.06082	6.9
96.04531	0.4
100.02477	8.4
101.00870	24.6
101.02536	17.7
103.02425	3.9
110.07150	98.0
111.02023	0.4
111.98463	2.1
112.03966	0.6
113.66656	0.4
113.96367	0.6
115.02433	3.8
115.04137	1.5
118.03496	3.2
119.01900	100.0
119.03600	6.3
121.03459	2.3
124.02404	6.3
132.01994	0.4
132.95807	6.6
133.01790	3.0
133.03447	25.3
133.05099	0.8
134.30269	0.3
136.17165	0.4
137.02933	26.2
138.04037	0.5
138.05469	2.9
142.03479	71.3
149.03015	0.5
150.96834	5.3
151.02689	0.5
151.04488	6.7
156.03986	3.3
156.05049	3.1
156.06511	4.0
156.07674	13.5
156.10144	1.5
156.17506	0.7
160.04520	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.05050	0.3
56.96967	0.1
59.17689	0.2
67.24010	0.1
68.05036	0.3
69.03433	0.2
69.07093	0.2
70.02953	0.2
70.06593	0.3
70.95885	1.0
72.93791	0.4
73.04047	0.2
81.04545	0.2
82.05328	1.3
82.06590	0.3
83.06119	4.8
84.04524	0.6
84.04971	0.2
89.43068	0.2
93.04533	3.2
94.06593	0.2
95.05529	0.3
95.06095	5.9
95.06715	0.2
96.04503	0.4
100.02476	1.1
101.00881	1.4
101.02557	1.6
109.05219	0.2
110.07169	100.0
111.05535	0.2
111.98483	0.7
112.03946	0.8
114.05466	0.2
115.02419	0.7
118.03502	0.2
119.01927	4.8
119.03605	0.4
120.35959	0.2
124.02449	0.3
125.66943	0.2
128.03453	0.3
128.07094	0.4
132.95830	1.8
133.01717	0.2
133.03468	3.4
137.02956	1.1
138.05492	2.2
138.09135	0.2
142.03503	2.7
150.96877	2.3
151.04477	0.4
156.02989	0.3
156.05174	0.3
156.06514	2.8
156.07678	16.0
156.10225	1.1
156.13797	0.9
156.17455	1.1
160.04480	0.7
163.38295	0.2
163.80161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1019
Annotation	Retronecine
Peak:m/z	Relative Intensity
55.01875	1.3
60.04533	8.4
67.05491	4.9
68.05025	1.5
69.03442	1.4
69.07047	1.3
70.95851	2.5
72.04512	1.2
72.93771	2.1
79.05499	28.8
79.40972	1.0
79.55776	0.9
80.05022	1.4
81.34416	1.0
82.06587	2.1
86.06097	3.2
88.96909	1.4
91.05487	4.1
92.05815	5.1
93.05786	12.2
93.07037	20.9
95.04968	1.7
96.04481	14.2
96.08126	1.2
97.06523	2.1
100.07586	1.2
103.05486	2.4
104.06239	1.0
105.07029	6.5
106.06556	2.3
110.06057	7.4
110.07165	4.8
110.09686	1.4
111.08080	1.7
111.98475	2.0
112.03988	1.5
112.04753	1.8
118.06536	1.7
120.05282	2.3
120.08105	46.5
121.08883	67.8
128.07100	2.4
132.95822	6.7
133.00793	1.2
138.05426	9.3
138.06390	8.6
138.09142	100.0
139.09894	1.5
150.96910	8.0
156.06578	15.6
156.10191	74.5
156.13814	2.4
156.17479	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96887	0.5
55.05497	0.7
55.87774	0.6
60.04536	7.0
67.05489	3.1
69.07063	1.1
70.95861	1.5
79.05496	29.1
80.05022	1.3
81.07072	0.6
82.06567	0.7
83.08638	1.2
91.05476	4.9
92.48495	0.5
93.05793	14.3
93.07045	19.8
94.06581	0.8
94.28552	0.5
95.04964	2.6
95.08572	0.8
96.04481	3.8
96.08121	1.0
103.05473	5.6
104.06233	1.4
105.07043	6.8
106.06553	3.3
110.06026	3.5
110.07159	1.0
110.09633	1.1
115.38158	0.7
118.06522	1.0
120.08107	44.2
121.08884	63.1
132.95847	3.7
138.09142	100.0
139.09901	1.1
150.96887	3.5
151.39720	0.6
156.02921	1.0
156.06581	2.2
156.10193	71.8
156.13776	1.4
156.17508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
54.37536	0.4
55.01886	4.6
55.05523	35.2
57.03437	2.8
57.07084	22.6
58.06601	3.7
60.04539	0.4
64.86349	0.5
65.88611	0.4
67.05173	0.8
67.05511	14.9
68.05840	2.6
69.03442	3.8
69.07075	86.0
70.06593	2.0
71.04996	1.7
71.08269	0.8
71.08634	11.7
71.19258	0.4
72.04521	5.6
72.08157	5.7
73.06569	1.0
75.51326	0.4
76.68867	0.5
79.05499	8.8
80.43217	0.5
81.07063	36.8
83.04536	0.9
83.04988	16.0
83.08619	2.8
84.08160	2.9
86.06071	30.0
91.05559	0.5
93.07047	30.6
93.07640	1.0
95.08608	23.4
97.06535	32.8
97.10173	100.0
98.09684	2.0
100.07620	39.9
110.10487	0.6
111.11723	27.1
111.38907	0.5
114.09174	10.8
114.12806	20.7
121.10143	51.4
138.09212	0.5
138.12814	3.0
138.36452	0.5
139.11185	91.3
156.13847	88.0
156.17328	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1382
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
55.01886	3.9
55.05520	40.9
57.03416	1.7
57.07082	23.6
58.06599	8.0
59.05020	1.9
59.79391	1.6
60.64614	1.7
67.05501	17.9
69.03415	4.0
69.07070	82.4
70.06594	4.4
71.06129	2.4
71.08624	12.6
72.04521	3.1
72.08157	10.8
72.36797	1.9
79.05491	7.9
80.05054	1.7
81.07064	40.0
83.04974	13.6
83.08598	2.4
86.06071	34.9
92.70725	1.9
93.07050	32.7
94.24389	1.9
95.08596	28.5
96.08096	2.9
97.06535	34.6
97.07675	3.5
97.10168	100.0
98.07173	3.3
98.09689	13.7
98.98460	2.9
100.07620	40.1
102.32442	1.8
110.06020	2.9
110.07226	1.9
110.10512	1.8
111.09196	10.6
111.11714	25.0
113.07131	3.2
113.10782	4.4
114.09178	13.3
114.12819	18.8
115.03902	2.6
115.08699	2.7
121.10144	55.9
125.05427	2.2
128.07086	2.5
139.11185	87.7
139.12196	5.3
156.06479	2.5
156.08124	2.1
156.10190	9.7
156.11311	14.7
156.13898	98.1
156.15083	3.8
156.17447	32.5
161.34944	1.9
171.50264	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1222
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.00308	0.9
53.03960	0.8
55.01880	4.2
55.05519	50.7
56.96568	19.7
57.03447	10.6
57.07079	10.9
57.68072	0.7
57.68641	0.7
59.05003	1.2
60.61562	0.8
67.05508	15.8
69.03419	7.2
69.07070	100.0
71.04989	4.7
71.08632	20.1
73.06551	5.2
74.93831	15.3
78.93062	0.9
79.05489	23.8
81.07064	21.8
83.04986	64.3
83.08616	4.6
87.04454	4.6
91.05476	1.6
92.94872	6.1
93.07041	43.6
95.04987	1.6
95.08605	28.0
97.06529	31.9
97.10164	40.4
97.99175	2.1
99.08102	7.1
99.09117	1.0
100.11259	9.0
101.06016	4.3
111.11710	2.0
112.12925	1.0
115.11152	1.2
115.96443	25.5
116.00174	1.0
116.03474	1.3
119.08516	1.1
121.10136	20.9
126.09158	4.9
128.06277	1.0
129.06976	3.8
133.97455	9.4
139.10110	1.6
139.11183	50.2
140.14590	1.1
142.07797	3.8
157.06470	1.4
157.10168	11.7
157.12216	26.5
157.13347	3.1
159.75974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1175
Annotation	Tranexamic acid
Peak:m/z	Relative Intensity
55.05520	1.3
56.05030	0.2
57.03434	1.1
57.07056	0.1
57.21124	0.2
63.24251	0.2
65.49939	0.2
67.05511	6.7
69.07071	4.5
71.04981	0.2
79.05505	1.4
81.07060	3.6
84.08107	0.2
85.06535	0.3
86.06081	0.2
88.07585	0.2
88.30449	0.2
93.07047	1.6
94.73871	0.2
95.08607	100.0
97.06531	3.1
97.10192	0.2
98.09686	0.2
100.07619	0.2
105.07014	0.4
113.09631	0.7
118.82247	0.2
123.03838	0.2
123.08080	3.4
141.09113	8.0
141.10208	0.4
158.11778	1.1
158.12967	0.2
158.15396	1.0
159.10161	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1175
Annotation	Homostachydrine
Peak:m/z	Relative Intensity
50.05098	0.2
50.32162	0.2
53.03961	0.3
55.05527	0.3
56.05040	1.4
56.37495	0.2
56.56416	0.2
56.96573	1.1
58.79925	0.2
69.03432	1.3
69.07071	3.9
70.06591	38.1
71.04990	0.4
72.04514	1.1
74.00246	0.2
81.03439	0.3
81.07044	0.4
84.08144	100.0
87.04455	2.1
90.05566	0.4
94.06565	0.5
95.05000	0.3
95.08591	0.5
98.06060	2.3
98.09689	1.6
98.97576	12.0
99.04465	2.4
99.08083	0.3
112.07598	28.5
112.11237	1.0
112.55753	1.8
113.06013	0.5
116.07087	10.9
116.98614	8.0
118.24019	0.2
122.06040	0.4
134.99658	3.8
135.06773	0.5
140.03362	1.9
140.07054	4.6
141.05467	0.5
158.04492	0.3
158.06042	0.4
158.08139	7.6
158.11752	39.5
158.15329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0803
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
51.73017	0.5
55.83222	0.4
65.32627	0.5
67.05479	0.7
76.93375	3.0
80.73120	0.5
91.05484	6.2
93.99117	0.5
94.94386	0.8
95.08618	1.1
105.07011	2.5
115.05450	2.3
116.06229	1.3
117.07005	8.9
117.95974	6.4
122.94840	0.6
129.06949	2.5
130.07719	1.0
131.08560	19.0
131.11745	0.7
135.97044	1.1
139.77541	0.6
141.06944	2.1
144.05692	20.7
144.09363	2.1
149.06563	0.5
156.62900	0.5
156.88316	0.7
159.08046	100.0
159.11668	34.0
175.90163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.05516	1.2
66.57842	0.7
67.05501	1.6
69.07069	1.5
71.05000	1.2
76.93373	8.0
81.07050	1.5
82.69063	0.8
83.04983	0.8
85.35654	0.8
91.05481	1.0
92.20874	0.7
94.94410	1.2
95.08597	10.8
97.06546	0.9
99.04449	5.7
99.08070	1.3
113.05965	1.0
114.48968	0.7
115.05462	4.1
117.05756	2.8
117.95966	12.1
118.06599	0.9
123.08095	1.7
130.06534	13.1
131.04866	0.9
131.11775	1.5
132.08089	64.2
135.96996	3.1
141.09134	1.3
142.06509	9.1
159.09172	100.0
160.07567	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
50.01944	0.7
53.03964	0.9
55.05520	13.3
57.03437	1.4
67.05511	13.2
67.57298	0.8
69.03426	0.9
69.07069	17.1
71.04987	4.7
72.08163	1.0
73.12570	0.8
76.65666	0.8
76.93372	21.8
79.05495	1.1
79.11214	0.9
80.66907	1.0
81.03444	1.1
81.06610	1.6
81.07062	30.9
82.05322	1.0
83.04990	12.3
83.08628	13.3
85.02910	1.6
85.06538	1.1
91.05480	1.2
93.07040	1.7
94.94415	4.5
95.04942	1.1
95.08608	100.0
97.06522	9.1
97.10152	1.3
99.04458	11.6
99.08089	30.8
105.07038	1.2
109.02931	0.8
111.08079	4.2
113.09653	13.3
115.03976	2.9
116.98598	1.3
117.07014	1.0
117.95980	36.5
117.96822	1.2
123.08063	35.6
127.03905	7.1
129.09146	4.5
130.06531	1.0
131.04956	1.1
131.08569	6.4
131.11781	1.5
132.08105	1.5
135.97038	9.7
141.09106	34.0
159.04391	3.0
159.06494	1.6
159.08047	5.9
159.09160	3.2
159.10248	1.8
159.11639	7.8
174.86261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.70092	0.3
52.71034	0.4
55.43952	0.4
67.05512	3.1
67.35789	0.4
70.41398	0.4
72.08147	0.6
74.45912	0.4
75.83490	0.4
76.93362	2.1
79.05483	2.8
81.07056	2.6
91.05471	7.4
93.07044	1.1
95.08601	2.6
105.07034	7.8
114.02798	0.4
115.05472	0.9
117.07014	28.3
117.96001	3.2
118.07757	0.6
119.08583	0.6
128.06187	0.5
129.07031	2.5
130.07794	1.9
131.08565	39.0
131.11861	0.6
135.97021	0.6
139.12727	0.4
144.05719	0.7
144.09386	4.3
157.10159	2.0
159.08067	8.4
159.11687	100.0
170.85139	0.4
176.78279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.06632	0.5
52.91659	0.5
54.67364	0.7
55.48893	0.5
59.60447	0.5
62.07310	0.5
67.05521	0.9
72.08168	0.6
76.93361	2.2
81.07053	1.0
91.05483	4.8
95.08626	0.9
96.08911	0.8
105.07032	6.8
112.56889	0.7
115.05386	0.9
117.07024	49.6
117.14550	0.5
117.95986	4.8
118.08741	0.6
119.08607	1.3
122.93316	0.6
128.06224	0.7
129.07002	1.2
130.07785	2.7
130.74939	0.6
131.08571	42.6
131.11775	1.2
135.97009	1.1
136.43556	0.6
140.96956	0.6
141.01953	0.6
144.05740	0.6
144.09363	8.0
148.97406	0.8
149.88487	0.7
157.10114	1.4
159.08095	10.7
159.11694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05511	1.3
72.04507	1.0
72.08160	0.8
72.29666	0.5
76.93374	8.6
77.97130	0.6
79.05486	3.8
81.07050	3.5
88.27930	0.6
91.05474	7.0
91.61892	0.7
93.07043	1.5
94.94411	5.4
95.08593	2.5
96.93917	0.7
105.07048	7.6
115.05432	0.8
117.07018	30.6
117.95992	16.4
120.62055	0.7
129.07042	1.4
130.07787	0.8
131.08566	41.5
131.09579	1.4
131.11781	2.6
135.97034	5.5
141.01811	1.6
141.22577	0.8
141.26245	0.7
144.05692	0.9
144.09334	4.5
152.81316	0.6
157.10158	1.5
159.08072	7.7
159.11688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65439	0.4
56.75628	0.6
57.80704	0.5
59.20870	0.5
59.78291	0.6
59.90632	0.5
77.29095	0.6
84.30025	0.5
86.13910	0.6
101.00889	9.2
116.04669	0.8
118.03524	0.8
119.01919	66.4
124.02444	4.6
128.59610	0.6
137.02959	24.8
142.03505	100.0
151.17247	0.6
160.04559	34.2
166.53836	0.7
176.00664	0.6
178.05647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	N-Hydroxy-1-aminonaphthalene
Peak:m/z	Relative Intensity
50.66535	0.2
51.25465	0.3
51.75162	0.2
52.36217	0.2
54.21638	0.2
56.05037	0.3
59.04993	0.4
65.29585	0.3
86.06071	0.4
87.04464	0.3
93.03732	0.3
101.00883	0.6
101.06030	2.7
101.56437	0.3
104.05033	0.5
117.05743	0.3
117.69591	0.3
119.01929	2.6
119.03586	1.3
119.61024	0.3
132.04446	0.5
132.08072	1.2
135.12259	0.3
137.02879	0.5
142.03510	3.7
157.21642	0.3
160.03981	2.0
160.07570	100.0
160.09729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
66.20703	0.2
72.71407	0.2
74.06068	0.5
83.39326	0.2
91.21859	0.2
97.06509	0.3
98.35074	0.2
101.00877	0.4
115.05437	1.3
117.05744	0.5
118.06501	0.4
119.01897	1.6
119.04932	0.3
125.05983	0.5
130.06528	3.3
131.07263	0.4
132.08099	7.9
137.02942	0.3
142.03513	3.7
142.06517	0.3
142.08607	0.3
143.07211	0.3
149.82127	0.2
160.07571	100.0
171.10233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.108
Annotation	delta-Guanidinovaleric acid
Peak:m/z	Relative Intensity
52.11372	0.3
52.32296	0.3
53.29086	0.4
56.05036	0.5
59.05009	15.6
60.05667	0.8
69.03450	0.5
71.04970	0.4
72.08144	0.4
74.06100	0.5
86.06069	7.5
91.05463	0.5
91.74443	0.5
98.09717	1.9
100.07632	1.0
100.28605	0.5
101.00887	3.0
101.06021	100.0
111.05567	0.5
114.05540	2.7
114.09194	0.5
115.05444	1.0
118.06532	0.5
118.08662	8.1
118.95983	0.5
118.96751	0.5
119.01912	15.7
119.03513	3.2
119.04912	0.6
124.02483	2.3
128.07185	0.7
128.08186	4.0
128.60036	0.4
132.04453	0.7
132.06519	0.6
132.08112	4.2
137.02974	5.3
142.03503	23.7
142.08601	0.6
143.08179	0.8
156.78842	0.5
160.00639	2.1
160.04697	7.0
160.06136	2.1
160.07565	42.9
160.09674	7.4
160.10817	37.4
160.13400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33327	0.2
68.12457	0.2
72.54845	0.2
95.66465	0.2
130.06509	0.4
136.43076	0.3
136.44203	0.2
144.08058	2.2
145.08870	24.5
160.11209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10180	0.2
56.82795	0.2
67.47137	0.2
73.16602	0.2
86.06089	0.3
91.05454	0.3
114.02499	0.3
118.07343	0.2
119.08558	0.3
130.06502	0.4
144.08044	2.1
145.07657	0.3
145.08867	27.2
160.11203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.112
Annotation	PARGYLINE
Peak:m/z	Relative Intensity
58.90926	0.2
59.69789	0.2
63.96070	0.2
66.83459	0.2
67.39520	0.2
119.08589	0.2
130.06516	0.3
144.08067	1.9
145.08865	27.2
145.14908	0.2
147.98944	0.2
160.11205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33327	0.2
68.12457	0.2
72.54845	0.2
95.66465	0.2
130.06509	0.4
136.43076	0.3
136.44203	0.2
144.08058	2.2
145.08870	24.5
160.11209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67288	0.2
60.01950	0.2
72.13594	0.2
75.52909	0.2
82.99845	0.9
83.99906	0.2
94.54214	0.2
97.09552	0.2
98.97573	0.3
101.00888	24.2
101.97232	0.4
102.00952	7.3
106.57188	0.2
119.01923	100.0
120.02003	26.3
121.02316	0.3
125.02555	4.2
128.49934	0.2
137.02966	25.9
138.03050	5.4
142.03517	1.6
142.62483	0.2
143.01807	1.2
143.03636	40.5
149.50516	0.9
160.04512	0.2
161.01630	0.3
161.02971	7.2
161.04691	11.6
179.04036	6.1
179.05714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
57.03442	19.9
59.41150	0.9
61.02939	1.1
69.03429	5.1
69.07079	1.1
73.02921	16.3
81.07059	1.3
83.01343	0.9
83.04987	2.0
85.02911	13.9
87.00822	1.8
89.02381	1.7
91.05478	3.2
92.31461	0.9
93.07038	3.4
97.02876	8.3
98.60390	0.9
101.02377	1.7
101.06011	1.3
102.06367	5.2
103.03947	6.3
103.05478	10.5
105.07030	4.3
113.02362	1.2
115.05447	1.5
118.06540	5.6
119.01918	5.1
119.95737	1.1
120.08102	100.0
125.02335	3.3
126.53944	1.0
129.03955	1.4
133.06454	5.0
133.07541	1.8
143.01868	9.2
143.03548	3.3
144.04553	0.9
147.05066	1.8
152.04985	4.4
161.02975	4.8
161.04375	1.0
161.05696	22.7
161.07126	6.5
161.09618	2.1
170.06190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01892	5.7
61.27282	0.6
67.05492	0.5
69.03427	1.1
69.07066	0.5
72.79123	0.5
79.05496	11.1
81.07047	2.4
82.63560	0.5
90.04723	0.7
91.05482	4.6
95.04978	2.1
97.02891	3.0
103.05474	13.8
105.07034	100.0
115.03963	0.9
115.05444	19.9
117.07121	0.6
118.04156	10.9
118.06540	1.0
119.08579	6.3
119.95721	4.2
131.04936	3.4
132.05653	0.7
133.06490	64.2
133.10133	3.7
143.05023	1.0
143.06030	6.5
146.03635	0.7
149.06049	0.6
161.04680	1.2
161.05959	23.0
161.07069	1.6
161.08426	0.6
161.09589	6.4
161.10715	0.7
161.13243	9.0
167.10423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.81666	0.2
54.30081	0.2
57.26115	0.2
60.99831	0.2
69.92402	0.2
79.05485	1.3
91.05466	1.7
95.04961	0.3
103.05455	1.5
105.07032	9.3
107.04945	0.3
115.05446	1.4
118.04161	5.0
119.04948	1.1
119.08580	0.4
121.06467	0.3
128.06378	0.2
129.06998	0.3
131.04935	5.4
132.05670	0.4
133.06476	3.3
133.10133	0.5
139.70453	0.3
146.03612	5.4
146.07245	1.6
161.05966	100.0
161.09586	16.5
161.13214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08753	0.8
55.05515	0.9
67.05510	7.0
69.07060	1.5
79.05492	9.3
81.07063	11.9
83.08601	1.0
91.05479	23.0
93.07036	9.9
95.08615	7.0
103.32335	0.8
105.07034	37.5
107.08596	1.5
117.06976	1.4
119.07751	1.9
119.08578	49.5
119.95666	1.6
133.10121	41.5
137.96762	1.0
159.11700	1.2
161.09587	11.3
161.13245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05517	1.4
57.02944	0.5
63.53381	0.5
64.60022	0.5
67.05511	7.5
69.07067	2.2
78.93114	0.7
79.05138	0.6
79.05509	10.3
81.07067	11.5
83.24212	0.6
91.05482	17.1
93.07062	7.3
95.08611	4.7
102.98289	0.7
104.21752	0.5
105.06326	1.2
105.07039	35.0
107.08594	2.7
115.05527	0.7
115.70066	0.6
117.07010	0.9
118.06557	3.0
119.08585	44.6
119.95720	1.2
120.05578	0.9
120.09324	0.7
131.08574	0.8
133.06447	0.8
133.10139	30.9
134.57938	0.6
144.04391	0.8
155.52354	0.6
157.47826	0.6
159.11697	1.4
161.05896	1.1
161.07109	2.5
161.08331	1.2
161.09622	13.4
161.13258	100.0
163.23500	0.6
173.76256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	0.2
55.01879	2.8
55.05523	1.2
58.60864	0.2
61.22888	0.2
65.21991	0.3
67.05509	3.6
68.00709	0.2
69.03436	0.2
69.07067	1.9
73.34699	0.2
74.33322	0.2
77.03962	0.2
78.93129	0.6
79.05502	8.9
81.07062	10.0
89.03911	0.4
90.04674	0.5
91.05477	5.2
93.07047	3.7
95.04965	2.2
95.08615	2.0
102.04697	0.3
103.05475	8.1
105.07036	100.0
107.08603	1.9
115.05452	13.9
117.07034	0.4
118.04166	8.9
118.06518	0.5
119.01949	0.3
119.08574	20.5
119.95716	1.3
131.04965	2.6
131.08569	0.3
133.06491	44.5
133.10124	7.9
143.04968	0.5
143.06041	5.0
159.11740	0.5
161.05957	14.2
161.09592	0.5
161.10986	0.8
161.13249	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01879	2.8
55.05523	1.2
58.60864	0.2
61.22888	0.2
65.21991	0.3
67.05509	3.6
68.00709	0.2
69.03436	0.2
69.07067	1.9
73.34699	0.2
74.33322	0.2
77.03962	0.2
78.93129	0.6
79.05502	8.9
81.07062	10.0
89.03911	0.4
90.04674	0.5
91.05477	5.2
93.07047	3.7
95.04965	2.2
95.08615	2.0
102.04697	0.3
103.05475	8.1
105.07036	100.0
107.08603	1.9
115.05452	13.9
117.07034	0.4
118.04166	8.9
118.06518	0.5
119.01949	0.3
119.08574	20.5
119.95716	1.3
131.04965	2.6
131.08569	0.3
133.06491	44.5
133.10124	7.9
143.04968	0.5
143.06041	5.0
159.11740	0.5
161.05957	14.2
161.09592	0.5
161.10986	0.8
161.13249	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.05035	1.8
57.03441	0.5
58.06602	4.9
59.07382	2.5
60.04530	4.2
60.08172	15.8
69.03427	3.0
70.06591	4.3
70.16525	0.3
72.04517	8.4
73.06546	0.5
74.06103	0.4
76.03989	2.4
78.96148	0.3
84.04516	11.0
84.08166	0.7
85.02914	7.6
86.06066	0.6
87.04472	16.2
90.05551	0.5
96.04488	2.1
97.02894	4.9
98.06052	25.8
99.71425	0.4
101.93195	0.4
102.05550	3.9
102.09191	7.3
103.00665	0.4
103.03945	23.6
114.05570	0.8
115.03895	0.7
116.07086	6.8
120.01997	0.9
121.01669	2.9
124.14674	0.4
126.05499	2.9
127.03953	1.6
130.04994	1.7
134.06015	0.7
144.03319	3.1
144.06567	7.5
162.04312	0.7
162.05516	2.8
162.07622	9.2
162.11246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
55.01857	0.6
56.34706	0.4
61.02935	0.7
65.00169	0.4
65.18962	0.4
69.03426	2.1
69.19127	0.5
75.87684	0.4
79.05504	4.7
81.07047	0.6
85.02916	4.0
89.03919	26.5
91.05462	0.7
93.07032	0.6
95.04975	2.0
97.02912	1.7
103.05484	3.2
107.04966	10.6
117.03378	43.5
117.07058	1.1
121.06522	0.7
131.04944	6.9
135.04420	96.4
145.02855	48.1
145.06503	0.8
145.10069	0.8
148.09973	0.9
163.03897	100.0
163.07574	3.9
163.11172	2.1
163.12303	40.8
175.78893	0.4
184.04263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
53.03954	0.9
55.01873	1.0
55.05507	0.7
61.02906	1.2
65.65492	0.8
67.05497	1.6
69.03434	1.7
69.07085	0.8
70.69020	1.0
71.21484	0.7
75.44874	0.8
79.05489	9.4
81.07052	4.1
85.02896	4.5
88.53233	1.0
89.03905	2.1
91.05457	2.0
92.02595	0.9
93.07026	6.9
95.04965	8.5
95.08588	0.8
97.02889	1.2
103.05466	7.2
105.04550	0.9
105.07021	4.2
107.04957	7.7
107.08582	10.2
117.03397	1.6
117.07021	2.2
117.15269	0.9
119.08534	1.8
121.06509	1.9
121.10140	5.4
122.06165	1.0
131.04938	17.6
133.02859	14.3
133.62776	0.9
135.04416	26.2
135.08055	3.8
135.11697	5.0
145.02863	2.1
145.10165	6.7
163.03885	100.0
163.07498	14.0
163.08699	1.2
163.11169	38.9
163.14844	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
60.33163	0.4
63.02381	0.6
65.80972	0.4
78.18797	0.5
79.05515	4.4
85.02934	0.7
89.03922	26.9
92.07651	0.4
95.04975	0.8
98.15624	0.5
103.05493	1.9
107.04968	12.7
117.03386	41.1
122.51848	0.6
131.04918	3.0
135.04424	93.6
145.02863	51.5
145.03896	2.1
147.18645	0.5
163.03903	100.0
163.12323	1.0
163.46515	0.4
179.52594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.45027	0.7
51.77775	0.6
51.92761	0.6
53.03955	1.1
55.01863	1.6
57.03438	5.9
61.02927	9.9
66.12607	0.6
67.05502	0.8
69.03429	16.4
71.04983	3.3
73.02928	4.8
79.05484	5.9
81.03428	5.2
85.02905	49.0
87.04453	0.8
89.03918	22.6
91.03934	1.2
92.92517	0.6
95.04959	1.4
97.02895	9.0
97.10189	0.6
99.04449	2.5
100.40502	0.7
103.05476	4.7
105.97631	0.7
107.04955	12.4
107.08593	1.2
109.02869	5.2
117.03370	36.3
117.06994	2.9
127.03944	5.9
131.04910	9.3
135.04411	89.5
135.08090	0.9
135.11708	0.9
135.75662	0.7
145.02837	41.3
145.03827	1.9
145.06512	1.6
145.10147	1.2
146.05959	0.9
163.03891	100.0
163.05977	9.1
163.07542	6.7
163.08658	2.1
163.11157	10.2
163.12340	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.03962	2.2
55.01881	3.9
57.03443	10.4
59.05003	0.5
61.02933	19.3
69.03432	29.9
71.01363	1.1
71.04997	2.4
73.02917	7.9
81.03423	10.7
83.01331	0.7
85.02907	100.0
87.04482	3.2
91.03944	2.8
97.02895	17.8
98.15792	0.3
99.01637	0.3
99.04460	4.0
100.47043	0.3
101.02379	2.1
103.03963	1.4
105.07084	0.3
109.02879	8.9
115.03925	0.7
117.07010	0.6
122.36882	0.3
127.03915	6.9
135.08078	0.6
138.13968	0.3
145.04994	0.5
145.06505	0.3
153.25053	0.3
163.03932	0.5
163.07492	2.5
175.60814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.51518	0.2
53.03965	2.4
55.01880	3.8
57.03449	9.2
59.05020	0.7
61.02934	17.0
63.02369	0.3
69.03434	31.6
71.01353	0.7
71.04997	3.3
72.92276	0.3
73.02920	8.7
79.05507	2.5
81.03429	10.2
83.01356	0.5
85.02910	100.0
87.04476	2.7
88.89837	0.3
89.03918	8.5
91.03944	3.2
91.05494	1.3
93.07035	0.4
95.04992	0.5
95.58266	0.4
97.02896	18.3
99.04467	4.2
101.02392	2.4
103.03925	0.6
103.05466	1.6
107.04957	4.6
107.08603	1.2
109.02885	8.6
110.63354	0.3
115.03933	0.7
117.03379	12.6
117.06996	1.7
120.13280	0.3
121.06483	0.4
121.95773	0.5
127.03916	8.3
127.11197	0.7
131.04976	2.5
131.05765	0.3
135.04417	30.2
135.08044	2.1
137.92854	0.3
145.02852	13.9
145.04912	1.1
145.06477	1.3
163.03893	33.6
163.05890	1.9
163.07510	3.8
163.08670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.51518	0.2
53.03965	2.4
55.01880	3.8
57.03449	9.2
59.05020	0.7
61.02934	17.0
63.02369	0.3
69.03434	31.6
71.01353	0.7
71.04997	3.3
72.92276	0.3
73.02920	8.7
79.05507	2.5
81.03429	10.2
83.01356	0.5
85.02910	100.0
87.04476	2.7
88.89837	0.3
89.03918	8.5
91.03944	3.2
91.05494	1.3
93.07035	0.4
95.04992	0.5
95.58266	0.4
97.02896	18.3
99.04467	4.2
101.02392	2.4
103.03925	0.6
103.05466	1.6
107.04957	4.6
107.08603	1.2
109.02885	8.6
110.63354	0.3
115.03933	0.7
117.03379	12.6
117.06996	1.7
120.13280	0.3
121.06483	0.4
121.95773	0.5
127.03916	8.3
127.11197	0.7
131.04976	2.5
131.05765	0.3
135.04417	30.2
135.08044	2.1
137.92854	0.3
145.02852	13.9
145.04912	1.1
145.06477	1.3
163.03893	33.6
163.05890	1.9
163.07510	3.8
163.08670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02379	0.5
55.01870	0.5
63.13433	0.4
67.05478	0.5
69.03436	1.0
72.64365	0.4
74.95505	0.5
76.75615	0.5
79.05505	3.5
81.07058	1.1
85.02906	3.1
89.03903	0.7
91.05469	0.8
93.07049	3.0
95.04961	2.3
95.08608	0.8
103.05471	40.2
105.04532	0.5
105.07043	1.0
107.04939	8.1
107.08601	5.1
117.03358	1.1
117.07002	1.2
119.08620	0.8
121.06500	0.6
121.10129	4.0
121.95853	0.6
127.03905	0.5
130.07788	0.7
131.04927	100.0
135.04404	4.6
135.08067	2.7
135.11678	2.4
143.61746	0.6
145.02806	1.1
145.10115	3.8
148.05142	2.1
153.60770	0.5
163.03918	8.0
163.07533	64.4
163.11169	20.3
163.12599	0.7
163.14828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
53.84718	1.1
55.01863	9.4
57.03445	10.6
57.03663	1.3
61.02932	10.6
66.45487	1.2
67.87373	1.3
69.03428	26.1
71.04966	1.5
72.04489	2.3
73.02927	11.0
81.03407	2.9
85.02441	2.5
85.02904	49.9
85.04854	2.1
86.03226	1.7
87.04459	1.7
91.05510	4.6
96.91910	1.6
97.02899	14.7
99.04442	5.4
99.06413	1.5
101.02357	8.5
103.03954	2.2
103.05751	1.3
103.09526	1.5
107.04950	1.7
109.02907	2.0
115.05443	13.3
117.07009	73.0
119.01843	1.5
121.01633	6.4
127.03915	9.4
142.77194	1.7
145.01636	1.5
145.06479	100.0
163.02707	2.6
163.05893	8.7
163.07504	93.3
163.08633	4.3
163.11528	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
51.73834	1.3
56.11624	1.5
61.02909	1.5
62.01443	1.6
68.48314	1.5
69.03427	7.9
85.02895	16.9
89.32002	1.8
91.05466	3.0
93.49075	1.7
105.49875	1.6
106.06590	16.4
109.50643	1.9
114.52081	1.6
115.05416	13.0
117.05700	7.1
117.07010	73.0
120.08099	3.8
122.06787	2.2
127.03910	2.8
130.06511	25.3
131.04871	1.8
132.08098	51.3
141.62810	1.6
145.06487	94.4
163.07535	100.0
163.08876	3.8
163.12302	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
55.01875	1.8
57.03428	1.3
61.01327	1.1
67.05525	1.5
68.82852	1.1
69.03442	1.5
78.25812	1.1
79.05498	12.8
81.07041	6.2
85.02906	5.7
91.05491	5.9
93.07048	17.7
95.04972	5.0
95.08584	2.0
103.05487	19.7
105.03389	1.4
105.07020	8.3
107.04967	11.0
107.08606	18.9
117.07005	7.9
119.08583	5.6
121.06510	7.5
121.10147	13.6
121.95758	1.4
127.41045	1.2
130.07835	1.9
131.04926	37.0
133.06557	1.2
133.10167	1.8
135.04420	7.3
135.08067	4.9
135.11664	9.9
145.10121	22.8
148.05194	2.4
155.49666	1.5
163.03859	11.8
163.07544	36.2
163.11176	100.0
163.14810	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
50.56216	1.5
53.26916	1.4
55.05510	4.1
57.03429	1.6
60.19762	1.3
67.05499	10.5
69.03405	1.9
69.07070	11.4
75.48730	1.5
79.05501	22.7
81.07063	34.8
83.08633	6.6
85.02917	8.0
89.03880	2.4
91.05479	2.4
93.07048	34.0
95.04921	2.0
95.08611	39.9
103.05478	20.2
107.04964	8.6
107.07923	3.0
107.08598	55.1
117.06986	2.4
121.10137	54.1
121.95786	2.5
122.07070	2.0
131.04938	39.8
135.04445	7.6
135.11740	12.2
145.06509	8.3
163.03868	20.9
163.06068	3.3
163.07533	27.7
163.11208	12.6
163.14825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72195	0.0
58.99844	1.3
65.01186	0.1
77.00880	0.5
79.99301	0.0
82.01447	32.1
83.02180	0.0
84.01882	0.1
100.02480	100.0
101.02923	0.1
102.02876	0.3
104.95487	0.0
114.04018	0.2
118.03513	36.3
120.03940	0.1
121.01654	0.2
122.02038	0.0
123.04048	2.6
132.05063	0.0
133.38385	0.0
136.04562	1.7
138.49942	0.0
138.51100	0.0
139.02727	0.0
141.05084	2.8
144.03235	0.0
146.03746	0.1
150.00665	0.1
159.06134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00636	0.6
50.56080	0.5
61.91292	0.7
73.02549	0.7
83.01545	0.8
100.02499	4.3
101.00887	24.5
101.02573	2.6
101.45358	0.6
118.03541	0.9
119.01921	100.0
124.02461	8.0
130.12291	0.7
137.02959	24.3
137.46288	0.7
142.03505	93.0
148.03941	1.3
160.04538	24.8
160.54932	0.6
161.90854	0.6
165.05122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.05507	0.3
58.56224	0.2
62.72812	0.3
65.03931	0.5
65.65910	0.3
67.05508	3.1
73.86136	0.3
79.05480	0.6
81.07059	1.8
91.05492	9.0
93.07029	1.5
95.04976	2.4
95.08586	0.5
95.69195	0.3
100.02479	0.7
101.00898	1.8
101.02577	0.7
105.07045	0.4
107.08585	0.5
109.06537	1.0
109.10154	8.0
119.01949	5.4
119.04948	33.1
119.08574	3.9
121.10135	1.4
123.04448	4.2
123.08041	2.1
124.02489	0.3
124.03910	0.3
133.02893	0.4
137.02942	1.1
137.05952	1.3
137.09596	2.5
142.03511	4.2
147.04417	100.0
147.08105	2.1
157.72829	0.3
160.04546	1.4
165.01768	0.4
165.05460	3.0
165.07387	2.3
165.09109	3.4
165.10214	0.4
165.13921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
55.01868	1.5
59.04974	0.6
64.70127	0.6
65.03922	0.7
67.05505	1.0
71.90861	0.7
79.05474	4.3
81.07073	1.1
83.01509	1.3
86.15640	0.8
91.05484	8.5
95.04956	4.6
95.08595	0.8
99.93797	0.7
100.02475	1.7
101.00877	9.1
101.02563	6.1
105.07051	1.2
107.04951	19.1
109.06506	2.8
119.01914	35.5
119.02769	1.2
119.03638	1.4
119.04930	27.7
123.04433	8.7
123.47678	0.7
124.02467	3.0
133.02875	3.0
135.04410	36.9
137.02911	8.1
137.05975	3.0
142.03502	36.7
147.04407	100.0
160.04578	9.0
165.05457	85.4
165.09090	3.0
165.10114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
55.05512	0.7
67.05506	6.7
69.07079	0.4
74.93637	0.4
79.05489	0.5
81.07071	4.0
83.04971	0.9
91.05469	1.7
95.05015	0.4
95.08598	1.4
100.02483	2.0
101.00885	2.9
101.02554	5.1
105.07035	0.7
107.08597	0.5
109.06493	0.7
109.10154	11.1
118.03523	0.6
119.01919	14.0
119.03615	2.1
119.08581	8.1
121.06473	0.7
122.07278	5.5
123.08033	0.7
124.02477	1.4
124.04025	0.7
133.02814	0.7
137.02986	3.9
137.05983	0.5
137.09622	32.5
142.03510	12.6
147.04443	0.4
147.11646	0.5
160.04530	2.9
165.05370	2.0
165.09102	100.0
165.12727	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
55.05510	1.2
55.14116	0.3
67.05507	7.5
71.93483	0.3
79.05490	0.8
81.07059	5.3
82.01455	0.5
83.01530	1.7
83.04974	2.2
87.93804	0.3
91.05476	3.0
93.07043	1.3
95.04991	1.5
95.08582	1.3
100.02486	4.3
101.00887	4.1
101.02555	9.9
105.07013	2.9
107.08595	2.0
109.06509	0.6
109.10160	11.1
110.63214	0.4
118.03532	1.9
119.01919	25.9
119.03621	4.2
119.08572	9.9
121.06525	0.5
121.10163	3.1
122.07301	4.9
123.08102	0.6
124.02436	1.5
124.03932	0.7
132.42424	0.3
133.02856	0.7
137.02960	8.0
137.05968	1.5
137.09616	35.9
139.31447	0.4
142.03500	28.7
147.04410	0.4
147.08014	0.6
147.11681	3.9
160.04558	5.4
163.98355	0.3
165.05479	2.8
165.09102	100.0
165.12730	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.58464	0.3
55.01882	2.8
59.00790	0.3
69.03439	0.6
77.03965	0.4
79.05495	4.3
81.03430	0.4
81.07063	1.3
83.01524	0.3
85.02918	0.6
85.06504	0.3
91.05486	1.9
93.07027	0.6
95.04955	2.7
95.08607	0.3
101.00918	1.3
101.02538	0.4
103.05482	3.3
105.07038	64.1
106.06069	0.3
107.08593	0.4
109.06519	2.1
111.51207	0.3
115.05473	0.4
119.01914	7.0
119.04919	1.5
119.08580	1.3
121.06514	0.4
122.03612	0.3
123.04476	2.6
123.08057	0.4
124.05214	1.3
133.06497	100.0
137.02991	1.1
137.05983	38.5
137.09634	0.6
142.03529	6.0
144.44331	0.4
147.04430	1.3
147.08061	0.7
150.06750	0.5
151.07610	0.3
152.09352	0.3
160.04550	1.7
165.05431	1.2
165.06635	0.4
165.07703	0.6
165.09100	18.9
165.10219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58464	0.3
55.01882	2.8
59.00790	0.3
69.03439	0.6
77.03965	0.4
79.05495	4.3
81.03430	0.4
81.07063	1.3
83.01524	0.3
85.02918	0.6
85.06504	0.3
91.05486	1.9
93.07027	0.6
95.04955	2.7
95.08607	0.3
101.00918	1.3
101.02538	0.4
103.05482	3.3
105.07038	64.1
106.06069	0.3
107.08593	0.4
109.06519	2.1
111.51207	0.3
115.05473	0.4
119.01914	7.0
119.04919	1.5
119.08580	1.3
121.06514	0.4
122.03612	0.3
123.04476	2.6
123.08057	0.4
124.05214	1.3
133.06497	100.0
137.02991	1.1
137.05983	38.5
137.09634	0.6
142.03529	6.0
144.44331	0.4
147.04430	1.3
147.08061	0.7
150.06750	0.5
151.07610	0.3
152.09352	0.3
160.04550	1.7
165.05431	1.2
165.06635	0.4
165.07703	0.6
165.09100	18.9
165.10219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
54.07547	0.8
55.01853	1.1
55.05508	2.0
57.03440	2.4
67.05492	5.8
69.07059	1.9
71.04986	1.2
79.05498	14.6
81.07059	37.7
83.04980	7.4
83.08632	1.0
91.05474	13.2
93.07042	32.3
95.04977	3.8
95.08612	18.6
97.06519	2.6
105.07030	52.2
107.08593	47.1
109.06511	16.3
109.10143	4.8
119.01904	1.4
119.07751	1.7
119.08571	37.0
121.10135	68.3
123.08064	14.2
123.11694	15.9
127.07536	2.1
133.02930	1.0
137.09595	6.4
137.13239	1.2
140.22548	1.2
142.03502	1.9
145.10101	1.7
147.11681	100.0
165.05466	1.4
165.09084	2.3
165.12733	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
55.01879	1.2
55.05507	3.2
56.86100	0.5
57.03448	5.4
63.52290	0.4
67.05507	18.5
69.03435	2.0
69.07067	4.8
71.04996	1.0
79.05494	11.3
81.07060	40.0
83.01509	0.9
83.04995	5.2
83.08611	0.6
85.06537	2.6
91.05480	21.7
93.07044	19.3
94.04133	0.6
95.04971	8.0
95.08614	12.9
97.06524	4.3
99.08117	0.9
100.02481	2.1
101.00903	1.0
101.02541	5.1
104.63652	0.5
105.07036	32.0
107.08596	16.9
109.06532	9.4
109.10159	6.2
117.07004	0.7
119.01913	8.2
119.03603	2.2
119.04934	1.0
119.08576	33.6
121.10142	47.8
123.08085	5.8
123.11695	7.4
124.03922	1.3
137.02956	1.3
137.09644	8.1
137.13219	1.3
142.03494	9.4
147.04416	3.5
147.08051	3.1
147.11687	79.9
151.77164	0.6
160.04544	2.3
165.05553	1.2
165.06966	4.1
165.09087	11.2
165.12741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
55.01855	1.3
55.05513	2.5
56.55617	0.8
57.03436	2.1
67.05504	16.8
68.68631	0.8
69.07058	4.4
74.89776	1.0
79.05148	1.1
79.05502	18.6
81.06616	1.8
81.07063	41.8
83.01507	1.5
83.04977	5.8
85.06554	1.8
87.01210	0.9
91.05488	23.0
93.07047	22.3
95.04967	8.8
95.08611	14.3
97.06516	13.5
100.02473	1.5
101.00912	3.5
101.02541	8.2
105.07030	37.9
107.08591	20.3
107.33391	1.0
109.06532	11.6
109.10153	6.0
113.97750	1.0
118.03511	2.0
119.01926	17.0
119.03630	2.2
119.04955	10.0
119.08571	34.2
121.10138	40.7
123.08031	9.1
123.11700	7.9
124.02399	1.4
133.02875	2.1
137.02911	3.8
137.09624	10.0
142.03493	15.7
145.10135	1.2
147.04405	30.1
147.08054	1.4
147.11682	83.5
160.04562	4.8
165.05457	4.9
165.07095	6.2
165.09097	19.6
165.10374	2.7
165.12741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0499
Annotation	4-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
53.03937	0.2
61.91951	0.2
64.29557	0.2
69.03427	0.3
75.50652	0.2
80.05024	0.9
80.94954	0.7
83.88184	0.2
87.04447	0.8
94.06569	0.3
99.69572	0.2
99.70383	0.2
102.02210	0.5
107.04944	0.2
109.05241	0.3
110.02393	0.4
110.06014	0.7
120.01965	0.2
120.05263	0.2
120.08092	3.2
121.06464	0.3
121.97552	0.5
122.06025	0.8
123.04426	0.2
124.07572	0.2
124.93838	0.3
138.05496	12.4
138.06541	0.4
142.94955	0.3
143.03624	0.3
148.03867	0.9
160.96027	0.4
166.04982	100.0
166.08583	1.9
175.59518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
80.06278	0.6
80.12528	0.5
92.20943	0.8
95.04948	0.6
102.02240	3.1
107.04939	3.1
108.05752	5.3
120.03250	0.7
121.02856	9.9
123.04406	0.7
135.04405	4.7
136.05220	3.3
142.96684	0.8
151.03903	36.3
165.05479	26.0
166.06244	100.0
166.08588	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
69.03419	0.8
80.05019	12.8
80.94961	0.5
83.93029	0.5
84.01208	0.5
84.21819	0.3
87.04014	0.4
87.04469	7.1
90.44366	0.3
95.04943	0.4
96.04433	0.4
102.02252	3.6
106.07333	0.4
118.06520	1.4
120.01972	1.7
120.03255	1.5
120.08102	10.6
121.06487	0.5
121.97496	0.4
123.06823	0.4
124.03981	0.6
130.06496	1.5
134.05937	0.4
134.06812	0.4
136.07578	29.9
142.96693	3.7
143.03622	1.7
148.07555	4.7
161.04703	0.5
166.04932	3.7
166.08623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.30279	0.5
67.40921	0.6
70.75846	0.7
71.60259	0.6
80.04668	0.6
80.05029	10.7
80.07610	0.7
87.04468	7.5
102.02227	1.4
112.56014	0.6
120.08113	12.0
134.06812	0.9
136.07576	26.2
142.96706	1.1
143.17639	0.7
148.07556	1.6
166.04953	2.7
166.08623	100.0
174.85565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02393	0.1
53.77327	0.2
56.75834	0.2
57.95651	0.2
63.34425	0.2
63.38294	0.2
65.30080	0.2
65.92635	0.4
70.63013	0.2
75.97967	0.2
79.05489	0.4
80.05017	1.0
80.94962	1.4
87.04461	0.9
91.05429	0.2
93.07037	0.8
95.04982	0.8
95.27783	0.2
102.02244	0.5
103.05471	4.8
107.04941	1.6
120.02022	0.3
120.08105	100.0
121.97593	1.4
122.09643	0.3
124.03996	0.3
124.93913	0.3
131.04924	2.8
142.94942	1.3
143.03665	0.4
143.05548	0.4
148.11179	0.3
149.05997	1.0
151.16019	0.2
160.95967	0.4
166.04987	2.7
166.06177	1.4
166.08606	3.8
166.12251	2.5
180.92793	0.2
183.97682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30279	0.5
67.40921	0.6
70.75846	0.7
71.60259	0.6
80.04668	0.6
80.05029	10.7
80.07610	0.7
87.04468	7.5
102.02227	1.4
112.56014	0.6
120.08113	12.0
134.06812	0.9
136.07576	26.2
142.96706	1.1
143.17639	0.7
148.07556	1.6
166.04953	2.7
166.08623	100.0
174.85565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
67.05511	3.7
69.07083	1.8
70.06579	2.4
71.41794	1.3
79.05498	9.0
81.07055	11.5
82.06590	2.2
83.08640	1.8
84.08151	3.0
85.26418	1.4
93.07061	12.0
95.04951	1.8
95.08627	2.9
96.08136	8.1
97.93696	1.5
98.09664	1.8
102.02232	13.2
107.04965	2.3
107.08596	7.7
108.05739	1.9
110.03239	1.8
110.09705	3.4
120.03264	3.9
120.08091	9.7
121.02877	6.8
121.10128	6.3
123.03996	8.0
124.11263	1.9
135.04387	2.4
136.05173	3.6
138.05392	2.1
138.12788	2.0
142.96671	2.9
143.03595	2.1
149.13257	8.7
151.03906	49.3
154.43806	1.5
165.05470	21.7
166.06187	100.0
166.08592	11.7
166.15904	97.1
166.17322	2.4
169.04478	2.7
170.28444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
73.48918	0.4
84.01206	0.8
84.99623	1.5
89.41173	0.3
102.00983	0.5
102.02233	2.9
103.00641	27.4
103.01256	1.3
103.02589	0.5
105.20011	0.3
110.67832	0.3
119.01937	0.3
120.01998	3.6
120.03274	0.7
121.01663	94.4
126.02180	9.7
138.03088	0.8
139.02686	22.0
143.03569	2.7
144.03227	100.0
161.04698	0.7
162.04268	23.7
167.04886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
52.82621	0.2
65.03935	0.3
66.04720	0.3
67.05498	0.2
68.02637	0.2
69.40079	0.2
78.04717	4.0
79.05502	3.0
80.43560	0.2
81.07044	0.8
87.55204	0.2
91.05490	0.4
93.07028	0.3
94.04188	0.4
95.04976	1.7
96.05721	0.4
105.04512	0.2
106.04186	3.4
107.04962	3.5
109.06521	0.4
110.03676	0.2
121.02870	0.3
122.03663	0.4
123.04425	12.9
123.05328	0.4
124.05208	5.5
125.06027	0.3
134.03627	1.2
135.04410	0.8
137.05984	0.8
139.03984	0.3
139.07556	0.4
147.69920	0.2
149.02324	0.2
151.03917	3.0
152.04672	4.3
165.05382	0.2
167.07031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08244	0.2
65.03951	0.3
78.04713	5.2
79.05487	2.0
81.07055	0.4
83.04979	0.3
85.02892	0.3
86.75370	0.2
92.21524	0.5
93.07039	0.4
95.04955	1.4
96.05761	0.3
106.04177	4.1
107.04955	1.2
121.02763	0.3
121.10121	0.5
122.03594	0.8
123.04427	13.3
124.05228	5.3
127.09026	0.3
134.03638	1.9
135.04427	0.5
137.05968	1.1
151.03899	2.6
152.04688	4.1
167.07028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
55.61501	0.3
58.55884	0.3
65.03956	3.2
67.05512	1.2
71.66359	0.3
77.38207	0.3
78.04718	4.6
79.05502	1.7
83.04983	0.4
93.03422	3.3
95.04974	1.5
106.04193	2.6
107.04945	1.7
109.06576	0.4
111.04454	0.4
121.02884	1.6
122.03638	0.7
123.04429	12.1
124.05221	4.6
125.02400	0.6
134.03644	1.6
135.04391	0.3
137.06030	0.5
149.02347	2.0
149.14555	0.3
151.03900	1.9
152.04706	3.3
163.32680	0.3
167.03366	1.9
167.07040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61911	0.2
53.03952	0.2
58.23632	0.2
65.03941	2.1
65.04227	0.2
67.05508	0.5
71.50923	0.2
78.04710	4.8
79.05503	3.0
81.03436	0.3
81.07063	1.1
83.04984	0.4
87.18375	0.3
91.05495	0.3
93.03392	1.5
93.07032	0.6
94.04161	0.4
95.04961	1.3
105.03384	0.3
106.04175	2.9
107.04948	3.5
107.08592	0.5
109.06508	0.3
111.08100	0.3
121.01656	0.5
121.02853	1.0
121.06479	1.1
121.10159	0.5
122.03664	0.6
123.04427	12.7
124.05206	5.6
125.05997	0.5
125.96400	0.3
134.03633	1.4
135.04428	1.6
137.05969	0.6
139.07507	0.4
144.03154	0.7
147.31076	0.2
149.02339	1.0
149.07106	0.2
150.05525	0.3
151.03873	2.2
152.04689	5.1
159.62212	0.2
167.03339	1.6
167.07028	100.0
172.57921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03941	0.2
55.01863	0.4
62.72087	0.2
65.03916	0.3
65.25068	0.2
78.04713	3.3
79.05493	5.3
81.03407	1.1
81.07058	0.4
81.95104	0.3
83.04958	0.2
83.08610	0.3
85.02861	0.2
91.05470	1.2
91.65225	0.2
93.03388	0.3
93.07039	1.2
95.04951	1.9
96.05757	0.3
102.16001	0.2
103.00605	0.3
106.04165	2.8
107.04958	7.1
107.08585	1.0
107.97530	0.3
109.02866	0.4
109.06490	0.4
111.04439	0.5
111.08097	0.4
120.08067	0.6
121.01674	2.7
121.02884	0.5
121.06502	4.1
121.07669	0.7
121.08427	5.6
122.03651	0.5
122.05990	1.5
123.04420	11.5
124.05186	4.9
125.05997	0.4
125.95399	0.3
127.99104	0.2
134.03644	1.3
135.04408	5.6
137.05965	1.0
139.02682	0.5
139.07524	1.8
139.08664	0.4
143.95042	0.2
143.96573	0.3
144.03204	2.7
149.02354	0.5
149.05972	1.6
149.07042	0.5
150.05478	1.0
150.09138	3.3
151.03886	2.3
152.04675	6.2
162.04262	0.3
167.03317	1.6
167.07016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
58.48843	0.3
66.04712	0.5
67.05472	0.5
71.04997	0.5
78.04723	4.3
79.05490	3.9
81.03408	0.5
82.69889	0.3
91.05523	0.4
91.76523	0.3
93.07046	1.4
94.04225	0.4
95.04963	1.7
97.02888	0.5
97.06572	0.4
102.94859	0.4
105.04531	0.4
106.04182	2.6
107.04974	3.9
107.08579	2.2
109.06494	0.5
109.34118	0.3
111.04462	0.5
121.01674	3.2
121.06488	0.7
121.07635	0.6
121.08430	1.6
121.10159	1.3
123.04430	11.7
124.05209	5.6
125.06022	0.6
125.96394	0.5
134.03642	1.3
134.63220	0.4
135.04420	0.8
138.03036	0.3
139.02750	0.6
139.03874	0.4
139.07564	1.6
143.96596	0.5
144.03252	2.2
149.02322	0.5
149.06032	0.6
149.09605	0.7
151.03905	1.8
152.04706	4.0
167.03392	2.6
167.07033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
50.73688	0.2
55.05499	0.2
61.56800	0.2
67.05506	0.2
77.98158	0.2
78.04711	4.2
79.05500	3.1
79.66738	0.2
81.07044	0.9
84.90923	0.2
85.02927	0.2
85.13995	0.2
85.58450	0.2
91.05478	0.4
94.04144	0.2
95.04964	1.3
106.04173	3.1
107.04951	4.0
107.05597	0.3
108.53398	0.2
109.02863	0.3
122.03641	0.5
122.81421	0.2
123.04421	13.0
123.05326	0.5
124.05218	6.6
125.05994	0.5
134.03654	1.1
135.04414	0.4
137.05969	1.1
139.03879	2.5
151.03876	2.2
152.04692	4.8
167.07025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
54.03480	0.2
55.05525	0.3
56.05051	1.7
57.53947	0.2
58.06609	0.4
59.06130	2.7
66.04736	0.3
68.05034	1.0
68.45425	0.2
69.04542	0.3
69.07074	0.3
70.06597	1.0
78.04697	1.8
79.05496	1.0
81.04562	1.0
81.07062	0.5
82.06582	1.5
83.06103	2.3
84.04517	0.3
84.05640	1.6
84.08143	0.9
85.03996	0.3
85.07674	1.9
93.07035	0.3
95.04965	0.5
95.06099	0.5
97.06530	0.3
97.07649	1.3
98.06046	1.0
98.07173	1.3
99.05566	0.4
106.04150	1.1
107.06085	0.3
107.08591	0.4
108.05614	0.6
109.06512	0.6
109.07646	7.4
110.07142	1.1
110.08434	1.5
111.05548	0.3
111.07995	0.9
111.09202	2.5
112.08736	1.3
122.03605	0.4
122.07148	1.4
123.04422	5.4
123.09142	0.5
124.05186	2.7
124.08717	2.6
125.08237	100.0
126.06664	2.5
126.10268	4.6
127.07407	0.3
134.03621	0.3
134.07152	0.5
135.04440	0.3
135.07944	0.5
136.08745	0.4
137.05951	0.4
137.08209	0.6
138.10220	0.4
139.07576	0.4
139.09825	0.5
149.08186	0.3
149.09485	0.3
150.06631	1.2
150.10252	8.4
151.03877	1.1
152.04645	1.8
166.09767	0.5
167.07033	49.1
167.09190	8.9
167.12906	11.1
167.14125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.6
65.84266	0.5
68.05025	1.0
78.04713	4.4
79.05503	13.8
81.03433	2.1
83.04977	0.7
91.05450	1.1
93.07038	1.1
94.06564	5.0
95.04956	2.9
106.04197	2.4
107.04960	17.3
107.08628	0.8
109.02911	0.9
111.04431	1.1
112.07615	9.4
120.79869	0.5
121.01669	3.2
121.02821	0.5
121.06509	6.0
121.10210	0.7
122.03602	0.5
122.06847	0.9
123.04425	12.0
123.05541	5.4
124.05223	5.6
124.07647	0.7
125.06094	0.9
125.07119	8.0
126.05560	1.1
134.03616	1.2
135.04420	9.8
137.05969	2.4
138.06337	1.0
139.02690	0.8
139.03896	0.6
139.08626	4.1
144.03261	2.5
149.02386	0.6
149.05994	3.2
149.07155	2.4
150.05386	0.9
150.06468	0.8
151.03915	2.4
152.04636	4.2
165.06662	0.7
167.03308	2.1
167.07001	86.2
167.08185	100.0
167.11700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.6
65.84266	0.5
68.05025	1.0
78.04713	4.4
79.05503	13.8
81.03433	2.1
83.04977	0.7
91.05450	1.1
93.07038	1.1
94.06564	5.0
95.04956	2.9
106.04197	2.4
107.04960	17.3
107.08628	0.8
109.02911	0.9
111.04431	1.1
112.07615	9.4
120.79869	0.5
121.01669	3.2
121.02821	0.5
121.06509	6.0
121.10210	0.7
122.03602	0.5
122.06847	0.9
123.04425	12.0
123.05541	5.4
124.05223	5.6
124.07647	0.7
125.06094	0.9
125.07119	8.0
126.05560	1.1
134.03616	1.2
135.04420	9.8
137.05969	2.4
138.06337	1.0
139.02690	0.8
139.03896	0.6
139.08626	4.1
144.03261	2.5
149.02386	0.6
149.05994	3.2
149.07155	2.4
150.05386	0.9
150.06468	0.8
151.03915	2.4
152.04636	4.2
165.06662	0.7
167.03308	2.1
167.07001	86.2
167.08185	100.0
167.11700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03949	1.8
55.01890	2.1
55.05513	9.4
57.03447	13.6
67.05508	24.3
69.07082	11.3
71.01359	44.8
71.04993	2.3
74.49245	1.4
78.04716	1.5
79.05498	44.8
81.03424	23.8
81.07062	23.3
83.04987	18.5
83.08640	10.4
84.96017	6.7
85.02869	1.8
85.06552	3.0
87.69141	1.3
91.05491	12.8
93.06480	2.3
93.07048	45.1
93.69903	1.4
95.04964	5.6
95.08595	14.2
97.06527	2.5
97.10160	2.8
102.94839	2.2
105.07038	7.5
106.04176	2.3
107.04961	12.8
107.08595	30.1
108.04449	1.6
109.10145	1.8
111.08065	2.2
119.08620	1.8
121.01670	13.6
121.06525	3.0
121.08410	2.1
121.10141	42.2
123.04457	11.0
123.08068	6.4
124.05200	7.0
125.06036	2.0
125.07075	1.7
125.09592	2.5
125.96399	1.5
126.05516	2.0
131.08556	19.5
139.02707	2.9
139.07555	2.5
142.96761	1.8
143.96686	2.6
144.03255	13.9
149.09612	28.3
149.13258	7.8
150.05501	5.4
152.04649	5.5
167.07027	100.0
167.08209	5.7
167.10655	75.6
167.11998	3.1
167.14273	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03958	0.6
55.05509	4.5
57.07076	0.8
59.05003	3.4
65.03928	1.0
67.05514	3.1
69.03421	1.0
69.07074	32.2
78.04723	1.3
79.05490	12.1
81.07054	8.6
83.05006	1.5
83.08605	1.1
91.05481	5.1
93.03391	0.7
93.07046	59.5
94.15570	0.7
95.04971	3.8
95.08622	9.9
97.06536	6.1
97.10198	1.2
105.04572	0.9
105.07032	8.0
106.04189	1.6
107.04951	4.6
107.08594	5.0
109.06561	0.8
109.10198	0.9
111.11725	7.7
114.86689	0.8
119.08584	1.7
121.01717	0.7
121.06474	1.1
121.10143	100.0
123.04436	5.2
123.08077	4.9
124.05232	1.7
125.05981	0.7
133.07570	1.1
135.04350	0.8
139.07574	0.9
139.11182	3.7
144.03250	0.8
149.05997	1.1
149.09621	13.1
149.13324	0.7
152.04678	3.0
167.07042	54.2
167.08447	4.9
167.10658	50.1
167.12038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
55.05519	16.5
57.03430	2.9
59.05005	2.0
59.97446	1.5
67.05510	30.7
69.06696	2.8
69.07068	66.5
71.05009	13.0
71.08620	1.7
79.05492	12.6
81.07059	43.3
83.04972	2.8
83.08620	66.2
85.06532	7.7
90.05351	1.9
93.07031	23.5
95.08605	11.0
97.06539	14.1
97.10178	3.0
99.08086	4.0
107.08580	36.5
109.10164	4.0
111.08081	20.2
121.10133	11.8
123.04443	2.2
123.11661	3.1
124.05157	2.2
125.09589	3.5
149.13249	95.0
159.69653	1.8
167.07018	27.5
167.14301	100.0
167.15717	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
54.70528	1.3
55.05511	1.0
56.96562	7.2
58.99880	1.4
60.18023	1.1
69.03426	7.8
70.15891	1.2
71.04989	2.0
73.02908	5.5
81.03435	1.9
82.01418	1.2
82.06580	2.4
82.94866	1.8
85.02892	5.1
94.06568	2.0
96.01500	1.7
97.02889	5.2
98.06106	1.1
98.97615	9.9
99.04483	9.0
100.02497	9.8
105.02090	2.6
107.04932	1.4
109.02857	1.5
110.97604	1.4
111.02023	1.4
113.60693	1.3
116.98607	2.8
118.03507	2.4
119.04848	1.2
121.01684	1.3
121.06491	1.5
122.05989	6.2
122.09686	1.5
123.04478	1.4
123.97430	2.1
124.02812	1.5
124.07578	2.8
126.02554	2.6
126.05605	2.0
126.06613	9.5
127.02423	6.4
127.03843	1.6
128.98636	2.5
130.02852	1.7
132.02592	7.0
132.04410	2.3
139.64394	1.3
139.91664	1.2
140.05676	2.5
140.07106	6.1
140.11847	3.0
141.03156	1.3
143.00145	5.5
144.94824	1.8
144.98106	1.6
145.03468	100.0
150.05516	27.3
150.06621	2.8
150.09142	2.4
151.06201	5.4
154.04993	1.6
155.00186	1.8
158.99692	1.9
161.01247	2.7
163.04506	63.2
168.05083	52.5
168.06552	27.0
168.07742	2.0
168.09001	3.8
168.10181	23.6
168.11378	11.9
168.13837	2.4
173.01225	12.9
177.04076	4.9
181.94644	1.4
186.06108	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	C20821
Peak:m/z	Relative Intensity
51.51382	0.2
53.03955	0.3
55.01881	0.4
56.96586	0.6
57.03452	0.2
57.57803	0.2
62.07286	0.2
62.56022	0.2
63.22012	0.2
64.44163	0.2
65.03965	0.3
67.05518	3.2
68.28004	0.2
69.03415	0.3
73.02927	0.3
79.05495	1.3
81.03455	0.4
81.07068	0.2
84.04527	0.3
85.02921	0.4
90.82002	0.2
93.05758	1.1
94.06568	11.8
95.04961	3.1
96.04510	0.3
98.97612	1.8
99.04453	0.5
102.10321	0.2
105.02041	0.2
105.04522	0.3
106.06556	5.4
107.04943	0.5
108.04475	0.5
109.02875	0.3
110.03069	0.2
116.98639	0.6
121.05246	0.9
122.06020	19.2
124.07545	2.2
126.02557	0.2
126.05566	0.5
126.06644	1.6
127.03873	0.4
136.07558	0.3
140.07066	72.3
142.07452	0.3
144.95863	0.3
145.03474	4.2
150.05486	7.5
150.09149	0.6
151.06165	1.6
158.99596	0.3
163.04483	2.8
168.06546	100.0
168.10173	8.4
173.01122	0.4
186.06122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
55.05511	2.1
56.30187	0.4
82.01432	0.4
82.02950	0.7
82.06546	0.8
95.04961	0.8
95.06089	0.9
96.04489	1.0
99.04462	0.5
100.02482	0.5
104.04993	15.3
109.07658	3.8
112.03990	0.5
112.96675	0.5
118.77966	0.4
122.06030	2.3
123.04424	24.8
123.06799	0.7
124.03951	9.7
124.07497	0.5
126.05503	1.7
127.02478	0.8
127.03923	0.5
132.04451	100.0
133.02838	7.5
138.05507	1.6
140.03392	1.7
140.07094	0.6
145.03487	10.9
146.47748	0.5
149.97223	0.6
150.05501	38.1
151.03891	7.0
153.09093	1.5
155.30696	0.5
156.72670	0.4
163.04558	4.6
168.05125	8.9
168.06557	36.9
168.10146	0.9
168.11337	1.5
168.14955	2.2
186.06157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1018
Annotation	3-Methoxytyramine
Peak:m/z	Relative Intensity
51.92719	0.3
57.20498	0.2
58.61458	0.3
65.03944	0.6
81.98819	0.3
87.20502	0.3
91.05484	16.1
95.04964	4.6
107.04963	3.0
119.04946	22.8
122.06026	0.5
123.08086	0.4
136.05197	2.2
136.58278	0.4
137.05975	1.6
140.07091	0.4
144.94884	0.4
150.05434	0.4
151.07545	100.0
154.05016	0.5
161.35898	0.3
164.24080	0.3
168.06577	1.6
168.10199	0.5
168.63002	0.4
173.07787	0.3
186.93785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
50.20432	2.2
53.67759	2.2
55.05514	17.9
57.07082	11.2
67.05515	32.4
68.93537	2.9
68.99789	3.8
69.07067	2.7
71.01364	30.9
71.04996	5.7
81.07062	48.5
83.08611	11.3
85.06554	4.4
89.76302	2.5
90.61082	2.6
91.05485	4.7
95.08607	3.8
95.64772	2.4
99.04456	10.1
105.39579	2.4
109.02880	13.1
109.06440	3.1
109.10181	3.2
110.05994	2.7
111.09193	5.0
113.05987	16.6
120.37949	2.5
123.11689	4.1
126.03148	4.7
126.09268	3.0
127.07530	5.4
128.04311	3.2
128.10709	100.0
141.05478	35.0
151.08598	4.0
152.03496	4.1
169.04941	15.0
169.07539	5.0
169.09908	4.1
169.12216	60.7
170.84734	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
51.14996	2.5
53.12711	3.0
53.42532	2.9
55.05521	7.2
57.07076	14.4
65.58473	3.6
67.05506	14.2
68.99789	15.3
69.07085	5.2
71.01360	63.7
79.81005	3.3
81.03405	6.4
81.07066	27.6
82.52235	3.1
83.08647	8.1
85.02910	4.1
85.07706	4.9
95.08586	8.8
96.46938	4.2
99.04461	26.8
106.64288	4.0
109.02885	8.5
109.10231	5.1
110.07114	3.2
111.09214	7.4
112.99957	5.2
113.06006	36.1
126.03078	4.3
127.07646	5.0
128.10730	42.9
141.05507	34.9
152.03456	4.0
169.04962	19.8
169.07556	8.8
169.09915	8.0
169.12206	100.0
169.14444	4.0
182.85437	3.5
184.81328	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27578	0.5
67.70515	0.6
70.57613	0.4
76.13194	0.5
79.36871	0.5
81.03412	0.7
84.04500	3.5
96.08138	1.1
103.02439	0.7
109.02892	4.1
112.01608	1.3
119.21660	0.6
124.04814	0.5
124.07579	3.6
127.03918	24.5
128.03458	2.9
129.02449	0.5
134.03181	0.9
140.04698	0.8
142.05954	0.6
147.01360	1.1
152.07085	3.8
155.03395	83.5
156.02972	4.6
163.26581	0.6
170.05740	100.0
170.08121	5.5
170.11746	0.9
173.10641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07050	0.5
82.06567	0.4
85.93111	0.4
89.12528	0.4
96.08089	0.7
110.05985	0.5
115.05453	12.6
124.07587	10.6
125.25190	0.5
134.06064	1.0
135.80133	0.4
138.75473	0.4
142.06528	18.4
152.07057	13.6
160.07544	0.8
170.06001	100.0
170.08264	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.82901	0.9
53.56843	1.0
54.47441	1.0
56.05036	1.7
63.12531	1.1
69.04552	5.7
71.89481	1.1
81.07077	4.0
83.04958	1.3
84.04490	1.2
85.81157	1.3
86.09698	1.3
89.53764	1.1
92.55993	1.2
96.04441	1.3
96.08139	5.4
98.16955	1.1
104.85364	1.2
110.03217	1.5
110.07165	6.5
111.05573	2.2
111.09199	1.8
120.40917	1.2
124.07592	78.0
128.08208	4.8
128.10724	7.1
129.11084	18.0
138.06616	1.5
142.05847	8.0
152.07068	100.0
155.08598	1.3
167.87556	1.2
170.05635	1.4
170.08113	7.8
170.09572	10.2
170.11671	1.8
170.15338	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1175
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
55.01885	0.7
57.07084	0.5
65.85368	0.4
76.80467	0.5
86.09709	100.0
124.07607	0.8
125.09672	0.6
128.10719	28.9
139.77090	0.5
140.45853	0.6
141.49104	0.5
152.07068	1.0
154.55128	0.5
170.08211	0.9
170.09511	0.8
170.11783	6.8
183.60187	0.5
183.80109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30253	1.0
55.05520	11.0
57.03435	3.1
57.07084	17.4
58.06604	2.1
61.02602	1.8
65.88120	1.2
67.05499	6.0
68.63901	1.4
69.03403	1.3
69.07070	100.0
71.04998	6.1
71.08638	10.5
71.57235	1.3
72.04519	2.8
72.08141	5.7
79.05505	11.7
79.91908	1.3
81.07063	19.2
82.27126	1.5
83.04974	7.2
83.08627	22.9
84.08134	1.5
86.06075	16.1
86.09725	1.8
93.07041	17.2
95.08622	20.2
97.06528	26.7
97.10167	2.1
100.07623	26.9
100.11249	1.6
105.82197	1.4
107.08588	23.5
109.10160	11.8
109.79285	1.5
111.08090	13.0
111.11723	33.6
114.09166	25.3
124.11198	2.1
125.09619	2.6
125.13273	2.8
128.10710	5.3
128.14363	10.6
135.11696	53.1
147.46800	1.5
153.12758	43.0
170.06026	1.3
170.08069	2.8
170.09398	2.4
170.15387	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1539
Annotation	Nitramine
Peak:m/z	Relative Intensity
51.76528	3.4
55.05521	6.4
57.03430	3.2
57.07082	15.3
58.55186	2.8
67.05518	4.5
69.07078	100.0
71.08649	8.1
72.08163	5.3
79.05511	5.3
81.07071	19.2
83.04987	5.4
83.08634	20.0
84.08186	3.7
86.06093	14.6
93.07058	26.3
95.08621	23.9
97.06544	33.3
100.07621	31.3
107.08620	20.0
109.10174	6.4
111.08116	12.7
111.11725	33.2
114.09205	15.0
125.09558	3.8
128.14369	6.3
135.11693	74.1
153.12755	61.3
170.15396	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1538
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.05524	15.6
56.05025	2.6
57.03436	4.1
57.07071	13.9
58.06599	4.0
59.06129	2.5
67.05518	4.1
67.52373	2.1
68.05019	3.9
69.07074	100.0
70.06590	3.4
71.04995	3.1
71.08627	11.4
72.08154	17.5
77.92290	2.2
79.05490	9.9
81.07058	16.9
83.04993	3.5
83.06078	4.3
83.08630	21.6
86.06063	13.4
93.07014	20.1
94.02309	2.0
95.08607	18.7
97.06530	22.3
97.07644	4.8
97.10213	2.1
100.07626	25.4
107.08572	20.2
109.07658	2.6
109.10146	8.9
110.07182	9.4
110.09710	3.1
111.08072	15.3
111.09232	17.3
111.11720	29.9
112.09571	3.0
114.09181	24.8
114.97215	2.2
124.07556	3.4
124.08661	2.5
125.07162	4.0
125.10692	3.1
125.13287	3.1
125.23351	2.3
127.08671	2.3
128.08176	4.7
128.10689	4.6
128.14359	13.7
128.31242	2.3
128.95110	14.9
135.11685	48.8
135.90041	2.3
141.65858	2.5
146.96165	5.2
153.10225	3.1
153.11414	5.1
153.12735	46.8
170.05948	3.9
170.09279	20.9
170.11618	4.1
170.12938	20.5
170.15405	58.0
170.19043	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	18.4
84.04504	14.2
84.08128	12.0
89.33717	9.0
112.71426	10.1
130.05023	12.5
170.64415	10.5
171.11288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44490	10.1
84.04496	21.1
103.97437	12.5
104.67525	13.7
120.32182	12.1
130.05046	43.6
171.11322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.05519	1.0
65.03944	8.1
67.05509	1.1
68.99801	4.5
69.00114	0.5
69.03409	0.6
72.08156	10.3
80.31824	0.5
81.03420	0.9
83.04989	8.3
84.04535	4.2
93.03415	6.0
97.02901	0.8
106.78136	0.5
107.08580	0.7
108.97649	0.6
111.04445	63.6
112.03986	0.6
116.24986	0.6
121.02867	1.3
121.03991	6.5
130.04999	1.1
130.15935	2.8
139.03909	100.0
143.11798	0.8
171.02693	0.7
171.06573	7.7
186.35043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03949	0.3
55.01873	1.0
55.05519	1.0
57.34475	0.4
63.67258	0.4
65.03950	10.3
67.05497	0.7
68.99785	3.5
69.03416	0.7
69.39629	0.4
71.35580	0.4
72.04523	0.6
72.97112	0.4
81.03424	1.6
83.04991	6.8
84.04501	6.4
86.09715	0.6
89.07150	0.6
89.85298	0.5
93.03404	6.3
97.02890	0.6
97.06599	0.5
107.08600	0.5
109.02894	0.5
111.04441	61.2
115.05479	0.6
119.16608	0.4
121.02825	1.7
121.03968	4.8
125.06003	0.7
125.07105	0.5
127.03905	0.5
128.04266	0.5
128.93814	0.4
130.05013	4.4
139.03903	100.0
155.03339	0.4
156.03725	2.2
166.81046	0.5
171.04468	2.1
171.06401	8.0
171.14900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
54.21221	0.4
55.01874	0.9
65.03947	8.4
67.05497	0.7
68.99787	3.1
69.03422	0.4
72.28912	0.5
75.05914	0.4
79.05473	0.6
81.03436	0.6
83.01347	0.6
83.04990	7.2
84.04512	5.5
89.07182	0.5
91.31830	0.5
91.61260	0.4
93.03403	6.4
97.02867	0.7
107.04947	0.5
109.06508	0.4
111.04445	64.3
112.03990	0.5
121.02883	0.7
121.03973	6.0
130.04988	3.2
133.29489	0.5
139.03906	100.0
153.07498	0.5
156.03723	0.5
171.04395	1.8
171.06517	7.5
171.14964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.03519	0.6
55.05523	1.0
63.47143	0.5
70.07418	0.7
79.05495	0.8
82.34065	0.5
84.04517	1.3
86.79840	0.6
89.07156	1.1
91.05496	1.2
105.07046	1.1
109.72125	0.6
115.05431	0.7
128.06204	5.5
129.07002	15.5
130.05032	0.9
130.07788	1.1
131.08600	0.6
132.52248	0.6
141.07013	0.9
142.07793	4.3
143.08565	36.2
154.13098	0.6
155.08492	0.8
156.09348	22.7
158.94691	0.6
171.08006	2.7
171.11687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.5
55.05771	0.2
56.05071	0.3
57.03442	1.9
57.07091	1.1
58.06621	0.3
59.05008	4.7
63.24788	0.2
65.03954	0.3
67.05510	64.9
69.03422	0.4
69.07060	1.9
70.06607	0.2
71.04996	3.4
72.75301	0.2
74.06078	1.0
79.05476	0.3
81.07063	7.2
83.08627	8.2
83.09113	0.4
85.06562	2.8
86.06081	0.5
91.05475	3.7
91.05988	0.2
93.07036	2.5
95.08604	8.4
99.08121	0.4
100.07585	0.2
100.79666	0.2
107.08604	1.1
109.10157	100.0
111.08083	4.2
113.05913	0.2
119.08578	6.3
125.09651	0.4
127.11208	0.8
135.20364	0.3
137.09618	4.1
154.12277	1.2
155.10661	7.8
172.09685	0.8
172.13286	1.9
172.16986	0.4
173.11725	27.1
193.65063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1331
Annotation	gabapentin
Peak:m/z	Relative Intensity
53.09162	0.8
55.05514	6.5
57.03444	1.7
57.07093	1.1
58.06583	2.1
59.04995	4.7
67.05510	66.1
71.04991	3.6
74.06079	10.5
77.83395	1.0
78.55435	0.9
81.07059	10.0
83.08629	10.2
85.06530	1.6
86.06065	1.9
88.07602	1.5
91.05477	2.0
93.07053	4.4
95.08593	7.9
99.08089	4.9
100.51761	1.3
106.38236	1.1
109.10159	100.0
111.08086	2.2
119.08583	6.5
132.41850	1.0
137.09610	5.2
148.12152	1.0
154.12355	1.6
155.10654	8.0
172.07556	6.4
172.09741	6.7
172.13400	1.4
172.16931	9.4
173.11729	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.133
Annotation	gabapentin
Peak:m/z	Relative Intensity
51.28116	0.6
55.05519	6.2
55.83144	0.5
57.03430	1.5
57.22101	0.6
58.06601	0.9
59.04999	4.2
67.05511	59.7
69.07077	1.3
71.04985	3.7
71.50220	0.7
72.04578	0.8
74.06089	5.9
80.30587	0.6
81.07063	10.2
83.08611	7.3
85.06538	2.8
86.06058	1.1
91.05504	2.3
93.07028	1.6
93.18496	0.7
95.08600	8.2
99.08102	3.3
109.10159	100.0
111.08058	4.3
112.45379	0.8
119.08588	5.7
137.05402	0.8
137.09622	4.2
144.08063	0.7
154.12250	0.8
155.10654	8.6
158.07777	3.0
172.09776	2.9
172.13344	1.3
172.16989	0.8
173.11725	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43180	0.8
51.54384	0.9
55.05508	4.7
57.03444	1.7
59.05002	4.7
62.69426	0.9
66.95114	1.0
67.05509	62.1
69.07063	1.2
70.01208	1.0
71.04987	1.9
74.06092	1.4
81.07056	10.6
82.50808	1.1
83.08633	7.4
85.06544	1.5
91.05467	4.5
93.07053	1.9
95.08614	6.7
107.08625	1.3
108.10704	1.2
109.10155	100.0
111.08097	2.4
111.75608	1.1
119.08562	6.0
122.28653	1.1
137.09616	5.2
155.10645	10.7
172.13324	1.7
173.11725	24.4
187.20480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1331
Annotation	gabapentin
Peak:m/z	Relative Intensity
55.05515	5.1
57.03451	1.2
58.06596	1.1
59.04998	4.5
67.05515	64.2
68.94090	0.7
69.07066	1.1
71.04999	4.8
72.04540	0.9
74.06086	7.5
77.81361	0.7
81.07084	8.7
83.08633	8.1
85.06549	1.7
86.06061	1.7
91.05487	1.8
92.53836	0.8
93.07029	1.9
95.08611	5.5
99.08089	4.4
109.10166	100.0
111.08082	4.0
119.08550	7.1
134.89201	0.8
137.09631	4.7
154.12288	1.7
155.10693	7.2
172.07538	1.1
172.09671	1.9
172.13359	3.4
172.16936	1.1
173.11725	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1332
Annotation	gabapentin
Peak:m/z	Relative Intensity
52.11189	1.3
55.05516	6.9
57.07080	7.7
57.51942	1.5
58.06594	8.0
59.05001	4.0
60.80002	1.6
63.35104	1.6
67.05511	64.8
70.86046	1.4
71.04993	2.5
72.08136	1.6
74.06069	15.7
81.07055	6.8
83.08625	10.7
85.04858	2.1
86.06052	2.3
91.05502	2.4
95.08604	4.0
99.08078	9.2
109.10161	100.0
111.08031	1.8
114.09230	1.5
119.08572	6.8
121.68903	1.6
137.09557	3.1
154.12263	6.8
155.10663	6.8
155.11784	1.8
172.07430	2.1
172.09683	8.1
172.10918	3.7
172.16985	2.7
173.11740	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33002	1.0
53.00300	1.4
55.05502	1.0
57.03428	1.1
57.07072	7.5
64.07384	1.1
67.05512	17.4
69.07049	2.1
69.13084	1.0
71.04969	1.5
71.08634	4.6
74.06071	14.6
81.07072	1.7
83.08640	7.9
83.25224	1.1
84.04487	1.2
86.06051	2.5
88.07626	25.7
92.20960	1.6
95.08583	2.3
99.08103	2.3
100.07625	1.3
101.03712	1.0
102.09174	12.0
107.42058	1.1
109.10150	29.1
116.10719	5.0
119.01844	1.2
137.09589	1.3
149.00185	1.3
155.10667	1.7
172.07510	2.8
172.09700	2.3
172.16951	100.0
173.11740	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0444
Annotation	cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
Peak:m/z	Relative Intensity
53.03952	10.9
55.01865	2.6
55.05541	1.7
57.03445	10.4
61.02922	2.2
62.59272	2.0
64.69138	2.0
69.03434	100.0
71.01339	1.9
71.04979	8.3
73.02911	2.6
79.99421	1.9
81.03424	69.9
83.01337	8.5
85.02901	75.8
85.03377	3.8
86.09694	3.0
97.02879	13.1
98.97594	2.8
99.04454	19.6
109.02850	15.1
111.08101	2.2
113.02370	12.7
114.05534	2.6
117.07044	2.9
127.03925	37.7
128.10788	2.3
134.19670	2.2
139.07539	2.7
145.61906	2.2
149.97163	3.4
156.10193	3.5
161.54857	2.9
173.04439	32.4
189.56656	2.3
192.70042	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1171
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.22706	0.5
55.05512	7.8
57.03432	2.3
57.07083	0.9
59.05004	5.1
65.03943	0.9
67.05508	100.0
69.07063	0.9
71.05003	3.7
72.93793	0.6
79.05527	0.6
81.07056	11.6
81.58421	0.4
83.08615	10.2
85.06547	4.2
91.05470	4.0
93.07039	2.2
95.08601	5.0
96.36282	0.7
107.08588	1.3
109.10154	96.6
111.08073	3.6
117.06989	0.7
119.08572	3.9
131.08510	1.1
137.09627	3.0
145.27170	0.5
149.96053	0.7
155.10626	1.3
173.04495	0.6
173.05923	0.7
173.09727	0.5
173.10309	0.7
173.11714	8.9
173.13220	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1171
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.53843	0.3
54.23043	0.3
55.05526	8.0
57.03447	3.2
57.07084	0.8
59.05007	5.6
61.93127	0.4
65.03961	0.5
67.05511	96.4
69.07086	1.6
70.06325	0.4
71.04988	3.5
79.05473	1.4
81.07060	12.2
83.08624	10.7
85.06554	3.9
86.09722	0.4
91.05469	3.9
92.20982	0.4
93.07049	1.9
93.87434	0.4
95.08614	6.0
99.08063	0.4
105.07067	0.8
107.08616	0.9
109.10160	100.0
111.08061	3.5
112.31638	0.5
114.05611	0.4
115.05483	0.4
117.07015	1.9
119.08572	4.9
131.08568	11.4
131.09477	0.8
137.09596	2.3
143.84744	0.4
145.06519	0.8
145.10120	5.8
155.10709	2.7
158.07266	0.5
158.10927	0.8
173.04622	0.6
173.06027	0.6
173.09584	4.5
173.11726	7.4
173.13252	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.54948	0.4
54.76637	0.4
55.05513	1.2
60.13144	0.5
60.22372	0.4
67.05500	2.4
79.05496	2.7
81.07049	4.8
91.05467	4.5
93.07027	3.8
95.08613	0.9
105.07027	5.3
107.08566	2.4
109.10149	0.7
116.06242	0.8
117.07013	12.6
119.08566	7.2
129.07014	2.3
131.08565	48.5
132.09343	1.1
143.08607	2.8
144.09312	2.1
145.06467	0.6
145.10118	22.2
147.64247	0.6
155.08563	0.6
158.10945	5.4
171.11685	1.0
173.09671	9.3
173.13255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.76537	0.6
55.05516	3.2
57.07077	0.9
59.04988	0.9
67.05507	31.4
69.03409	0.8
71.05005	1.2
78.53272	0.7
79.05477	1.6
81.07047	4.9
83.08595	3.3
84.12957	0.9
85.06544	0.9
90.98407	0.8
91.05466	5.4
92.81439	0.8
93.07040	1.1
95.08575	1.3
105.07066	6.1
109.10150	28.8
113.12286	1.0
117.06988	5.4
119.08578	6.6
129.07004	1.8
130.07787	1.0
131.08565	56.4
136.40538	0.8
143.08545	3.6
144.09319	5.3
145.10118	19.1
155.08559	0.9
155.10645	1.0
158.07213	1.3
158.10910	13.0
171.11729	1.2
173.04590	1.0
173.09634	12.6
173.13243	100.0
173.17256	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
60.04529	2.8
69.03422	1.1
70.95862	1.9
72.93775	0.8
73.67619	0.2
84.04520	1.8
84.08147	0.3
85.01146	0.4
85.02892	0.5
86.09673	0.3
88.96877	0.3
89.03912	0.2
96.04495	1.2
96.63287	0.2
97.02888	6.5
102.05485	0.4
111.98479	3.1
114.05527	3.0
115.03925	0.4
116.04960	0.5
118.06516	0.3
126.03691	0.5
128.07037	0.4
129.99516	1.2
132.06569	0.3
132.95844	5.5
138.05540	0.3
150.96896	8.5
155.97395	2.4
156.04797	0.8
156.06508	0.4
168.78703	0.2
173.98547	2.6
174.05498	100.0
174.07599	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0549
Annotation	Atrazine-desisopropyl
Peak:m/z	Relative Intensity
57.03436	0.4
60.04529	2.8
69.03422	1.1
70.95862	1.9
72.93775	0.8
73.67619	0.2
84.04520	1.8
84.08147	0.3
85.01146	0.4
85.02892	0.5
86.09673	0.3
88.96877	0.3
89.03912	0.2
96.04495	1.2
96.63287	0.2
97.02888	6.5
102.05485	0.4
111.98479	3.1
114.05527	3.0
115.03925	0.4
116.04960	0.5
118.06516	0.3
126.03691	0.5
128.07037	0.4
129.99516	1.2
132.06569	0.3
132.95844	5.5
138.05540	0.3
150.96896	8.5
155.97395	2.4
156.04797	0.8
156.06508	0.4
168.78703	0.2
173.98547	2.6
174.05498	100.0
174.07599	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1125
Annotation	Swainsonine
Peak:m/z	Relative Intensity
51.64665	0.9
55.01875	4.5
55.05524	16.5
61.02942	1.3
61.75890	0.9
67.05518	1.6
69.07074	22.5
75.07090	1.0
79.05499	5.5
83.08629	83.6
85.10182	2.6
86.06065	1.9
86.09715	12.6
93.07067	13.3
95.04961	1.3
95.08590	10.0
97.06524	4.7
102.72218	1.1
110.09698	20.3
111.08089	80.6
112.36037	1.2
115.65010	1.1
121.06522	11.8
128.10727	58.4
129.09134	2.6
132.95818	1.6
138.09148	24.1
139.07552	100.0
156.10207	88.3
157.08611	14.2
167.44717	1.1
174.05374	1.4
174.11234	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98615	0.5
52.25985	0.5
55.27038	0.5
56.68546	0.5
57.07080	0.8
61.02928	2.4
78.04828	0.5
85.14532	0.5
86.09710	100.0
89.06026	2.7
121.13312	0.7
121.25708	0.6
136.75336	0.7
157.45198	0.6
167.86902	0.5
174.05423	0.9
174.06712	1.0
174.13492	1.2
174.14896	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
50.38907	0.4
50.62898	0.5
55.01868	0.8
55.05523	4.9
57.03414	0.6
57.07089	1.0
59.15096	0.5
67.05505	4.0
69.03429	0.8
69.07072	16.8
70.61723	0.5
70.95863	6.0
72.93796	2.2
79.05486	3.1
81.07056	4.8
81.12014	0.7
83.04984	2.3
83.08605	0.5
86.06052	0.7
87.04456	0.7
88.96915	1.0
93.07057	8.4
95.08593	5.3
97.06530	4.5
97.10174	11.5
101.06017	0.7
111.11729	3.2
111.98477	9.3
113.96439	0.8
121.10155	8.3
128.07088	0.8
129.99518	3.1
131.97488	0.7
132.95833	15.6
138.12807	2.2
139.11211	4.1
146.05972	1.2
150.96906	19.0
155.97437	5.6
156.13840	100.0
173.98499	6.7
174.05475	3.0
174.06683	2.0
174.09158	1.3
174.14890	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.1
57.83836	0.7
65.03949	6.4
69.07073	0.8
69.79045	0.7
81.07047	1.5
89.03924	4.3
91.05485	100.0
95.08589	1.3
101.03925	1.9
105.07053	4.9
107.08596	1.6
117.03349	3.6
119.04948	81.2
119.08570	12.9
129.03380	1.7
129.04465	1.0
129.20163	1.0
132.02089	3.5
133.10112	11.8
143.04919	1.1
145.02849	4.4
147.04417	50.7
147.11700	1.4
157.03958	8.8
160.05190	1.4
175.03909	38.5
175.07529	10.2
175.14807	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49830	0.6
63.56952	0.6
64.70178	0.7
65.03956	5.6
65.86283	0.6
71.42201	0.7
77.03925	1.2
77.10968	0.6
89.03937	5.4
91.05482	100.0
101.03909	0.8
103.05485	1.2
105.07028	0.8
115.05450	1.6
117.03401	0.8
117.07013	1.4
119.04942	82.2
119.08582	3.2
122.03649	1.0
129.03365	3.2
129.04449	0.9
132.02043	1.6
133.10141	1.3
135.04431	0.9
145.02841	4.6
147.04410	48.8
147.08047	3.2
157.03996	7.9
160.05139	6.1
163.03969	1.0
175.03903	38.3
175.07532	24.3
175.14742	2.9
181.46921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0391
Annotation	Lawsone
Peak:m/z	Relative Intensity
51.26575	0.8
51.32128	0.9
53.88960	0.8
65.03943	6.0
65.65565	0.9
77.03930	1.4
82.39232	1.0
89.03919	4.5
89.90480	0.9
91.05486	100.0
97.66586	1.0
101.03919	1.2
103.05460	1.0
117.03387	2.1
117.30083	1.0
119.04942	81.4
119.08586	1.8
122.03634	1.3
129.03392	2.3
129.04413	1.2
132.02060	1.2
145.02895	5.0
147.04420	44.3
157.03963	9.7
160.05220	1.8
175.03912	39.5
175.07458	11.0
175.14854	1.2
182.79283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.57459	0.7
59.40328	0.7
65.03941	5.4
69.07062	3.9
75.28977	0.7
77.03924	1.4
81.07104	0.9
89.03915	5.2
91.05485	100.0
95.04956	1.3
95.08617	1.5
101.03889	1.7
105.07011	4.6
107.08604	1.2
115.05446	4.0
117.03391	1.4
117.07001	1.6
119.04943	84.9
119.08579	15.9
122.03665	1.0
127.03861	1.1
129.03415	1.7
132.02101	1.9
133.10139	13.1
143.04930	2.0
145.02859	6.0
147.04411	46.8
147.08006	1.1
147.11710	1.1
150.03163	1.2
150.96831	0.9
157.03970	8.6
160.05153	8.3
175.03900	49.3
175.07500	21.9
175.14838	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0388
Annotation	Lawsone
Peak:m/z	Relative Intensity
56.65458	0.7
57.33730	0.8
65.03950	6.3
69.07064	1.7
72.63851	0.8
77.03934	1.4
89.03915	6.9
91.05482	100.0
101.03909	1.7
101.47495	0.9
105.07056	1.9
112.52839	0.8
117.03413	2.0
119.04939	74.5
119.08597	10.2
122.03651	1.5
129.03362	1.5
132.02071	2.1
132.95831	1.5
133.10121	8.3
139.67207	0.8
145.02826	4.0
147.04414	49.7
147.76918	0.9
150.03105	3.3
157.03963	6.8
160.05185	1.3
175.02359	1.2
175.03885	38.4
175.07477	13.0
175.14813	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65458	0.7
57.33730	0.8
65.03950	6.3
69.07064	1.7
72.63851	0.8
77.03934	1.4
89.03915	6.9
91.05482	100.0
101.03909	1.7
101.47495	0.9
105.07056	1.9
112.52839	0.8
117.03413	2.0
119.04939	74.5
119.08597	10.2
122.03651	1.5
129.03362	1.5
132.02071	2.1
132.95831	1.5
133.10121	8.3
139.67207	0.8
145.02826	4.0
147.04414	49.7
147.76918	0.9
150.03105	3.3
157.03963	6.8
160.05185	1.3
175.02359	1.2
175.03885	38.4
175.07477	13.0
175.14813	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65458	0.7
57.33730	0.8
65.03950	6.3
69.07064	1.7
72.63851	0.8
77.03934	1.4
89.03915	6.9
91.05482	100.0
101.03909	1.7
101.47495	0.9
105.07056	1.9
112.52839	0.8
117.03413	2.0
119.04939	74.5
119.08597	10.2
122.03651	1.5
129.03362	1.5
132.02071	2.1
132.95831	1.5
133.10121	8.3
139.67207	0.8
145.02826	4.0
147.04414	49.7
147.76918	0.9
150.03105	3.3
157.03963	6.8
160.05185	1.3
175.02359	1.2
175.03885	38.4
175.07477	13.0
175.14813	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05235	0.5
56.96568	2.3
60.05657	48.1
62.40081	0.5
69.03426	2.0
70.06595	100.0
71.04974	0.6
72.08165	5.4
78.44036	0.5
83.82975	0.5
84.08148	0.9
85.01424	1.2
85.02843	0.5
86.06051	3.5
88.07631	0.6
97.02883	0.6
97.07681	0.6
98.06037	2.3
101.00885	6.0
103.02448	12.0
112.07600	13.0
112.08730	5.2
112.15009	0.6
114.10282	0.9
115.02438	2.3
115.03901	0.7
115.08661	2.2
116.07093	47.9
119.01096	1.1
119.01922	25.5
121.01696	0.5
121.03504	8.2
127.02397	2.3
128.50871	0.5
129.10179	0.7
130.08876	1.0
130.09769	18.8
131.01898	2.2
132.95807	2.5
133.01765	2.1
133.03465	48.7
134.03729	1.1
137.02960	8.0
143.01927	2.6
143.03680	0.7
145.03467	18.9
146.53587	0.6
151.04520	20.8
152.04651	0.7
156.05052	0.8
157.03468	4.2
157.10786	1.0
158.08066	1.0
158.09253	14.8
161.02992	3.8
163.04503	4.8
165.05476	0.6
175.04518	78.5
175.11919	50.1
193.05563	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81658	0.7
56.96576	1.3
57.03448	0.8
60.05654	41.7
69.03441	1.3
70.06594	98.1
72.08173	6.6
72.08487	0.8
77.00903	0.8
77.86889	0.7
81.95767	0.8
83.04985	1.3
84.08143	1.1
85.01415	1.6
86.06067	1.0
97.07664	1.2
101.00842	7.9
103.02447	18.7
111.04442	1.4
112.07600	14.1
112.08714	6.7
115.02414	4.4
115.03915	1.4
115.08649	1.2
116.06268	1.6
116.07092	47.5
119.01914	36.7
121.01628	1.2
121.03481	10.6
127.02444	1.4
130.08836	1.5
130.09756	14.8
131.01921	3.5
133.03467	67.4
134.03606	3.3
137.02956	9.8
139.04027	1.0
143.01877	1.4
145.03471	25.0
146.72226	0.9
151.04520	29.0
152.04561	1.2
157.01648	0.8
157.03444	7.2
157.04880	1.4
157.10840	1.1
158.08092	3.3
158.09248	12.8
161.02966	4.2
162.45607	0.9
163.04523	6.9
174.34863	0.9
175.04515	100.0
175.07196	4.7
175.11913	48.0
193.05588	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15546	0.5
54.62240	0.6
57.17064	0.5
61.34595	0.6
66.60892	0.6
87.94124	0.5
88.27757	0.6
92.20894	0.6
99.89229	0.6
104.73166	0.6
118.06541	65.2
130.06525	50.6
133.59561	0.6
140.04930	0.9
143.04916	1.2
156.06854	3.8
157.07611	100.0
158.06006	24.2
160.05203	1.0
162.93297	0.8
175.07353	4.7
175.08844	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0865
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.15546	0.5
54.62240	0.6
57.17064	0.5
61.34595	0.6
66.60892	0.6
87.94124	0.5
88.27757	0.6
92.20894	0.6
99.89229	0.6
104.73166	0.6
118.06541	65.2
130.06525	50.6
133.59561	0.6
140.04930	0.9
143.04916	1.2
156.06854	3.8
157.07611	100.0
158.06006	24.2
160.05203	1.0
162.93297	0.8
175.07353	4.7
175.08844	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
50.87423	0.4
58.06610	0.6
60.04519	2.8
60.05658	49.1
67.05497	1.3
69.03402	0.7
70.02957	4.4
70.06596	100.0
71.02474	0.8
71.05007	0.6
72.08162	6.7
74.02454	4.5
83.04974	2.5
84.04489	0.8
84.08135	1.1
85.02927	0.5
87.05578	2.5
88.03997	11.6
93.03390	0.6
95.04986	1.2
97.02882	2.2
97.03999	0.8
97.07645	0.7
98.06081	0.7
102.05560	2.2
103.02457	2.3
111.04446	3.5
112.07619	4.3
112.08749	6.7
114.10272	0.9
115.03952	0.8
115.08698	0.9
116.03452	7.8
116.07095	57.5
119.01907	3.4
121.03542	0.7
129.06593	4.6
129.07439	1.0
129.10291	0.8
130.04999	3.0
130.08763	1.3
130.09760	22.9
132.95837	0.7
133.03455	3.1
133.06068	1.2
134.04495	0.6
139.03946	0.6
143.02682	0.9
145.03383	0.7
151.04547	0.6
157.10857	2.9
158.04472	0.9
158.08051	1.2
158.09251	15.1
169.43558	0.6
175.03043	0.6
175.04570	7.2
175.07162	3.4
175.11900	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	0.7
60.05656	47.9
70.06594	100.0
71.05002	0.9
72.08160	6.7
77.16849	0.4
84.08116	3.1
85.01405	0.8
92.26948	0.4
97.07666	0.6
98.06036	0.5
101.00883	2.2
103.02440	4.7
111.30792	0.4
112.07625	2.1
112.08729	6.7
113.07120	1.0
114.10289	1.1
115.02464	1.6
115.08699	0.9
116.07092	51.8
119.01910	9.2
121.03464	1.7
130.08743	1.9
130.09758	19.3
131.01881	0.5
133.03474	16.9
137.02939	2.8
141.06659	0.4
142.38026	0.4
143.03708	0.5
145.03470	7.0
151.04510	5.6
157.03479	0.9
157.10825	2.4
158.08049	1.1
158.09241	14.8
161.02927	0.5
163.04463	1.8
175.02965	1.0
175.04517	32.6
175.11897	53.0
193.05559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.123
Annotation	alpha-Methyltryptamine
Peak:m/z	Relative Intensity
50.53802	0.5
59.26715	0.5
70.06603	0.6
72.80761	0.5
91.05479	2.9
94.06575	6.7
94.71339	0.5
96.53204	0.5
106.06623	0.6
111.08135	0.6
116.07087	0.6
118.91712	0.5
119.04937	0.9
139.01057	0.5
139.07530	1.1
143.07289	0.6
146.09615	0.7
147.04413	1.0
147.08054	0.8
147.09160	0.8
148.11217	32.8
148.12402	1.2
158.09657	14.0
160.05254	0.6
160.09927	1.3
175.03874	0.7
175.07451	2.3
175.08890	6.6
175.12306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.25155	0.3
53.80557	0.4
55.05523	3.6
57.07106	0.3
69.06702	0.5
69.07071	15.1
72.65305	0.4
79.05495	0.4
80.04390	0.4
80.21017	0.3
81.07065	3.7
83.08618	3.7
91.05472	7.2
93.07055	0.5
95.08618	3.5
105.07037	11.5
107.08594	3.2
115.05431	0.4
117.07029	0.6
119.04923	3.1
119.08577	60.9
121.10122	2.0
131.08524	1.5
133.10130	49.7
145.10081	2.7
146.10880	0.5
147.04396	1.8
147.11673	8.3
160.05148	0.8
160.12454	2.8
173.13263	2.1
175.03882	2.0
175.07556	4.2
175.14815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05506	5.8
56.56531	0.9
57.10091	0.8
63.89767	1.0
65.09367	1.1
69.07065	13.3
81.07064	2.0
83.08629	1.5
91.05479	13.2
95.08589	4.3
97.31338	1.1
98.23557	1.0
105.07032	13.0
107.08596	3.8
119.04939	8.9
119.08579	61.4
119.09439	2.2
121.10183	1.6
129.27101	1.0
133.10133	60.3
145.10106	2.0
147.04410	1.8
147.11710	8.0
160.12518	1.8
173.13223	1.1
175.03935	2.5
175.07495	4.1
175.14821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67597	0.8
50.81200	0.8
53.51231	0.7
55.05505	4.2
65.03934	1.2
65.37603	0.7
67.22212	0.8
69.06755	0.9
69.07075	13.7
78.91032	0.8
79.05495	1.1
79.69192	0.8
81.07054	5.6
83.08595	1.6
89.03901	0.9
91.05479	32.5
91.18233	0.8
93.07026	1.6
95.08610	5.5
105.07035	15.4
107.08573	2.0
113.42947	0.8
117.06947	1.1
119.04176	1.2
119.04945	19.7
119.08579	59.2
121.10126	1.0
125.33712	0.9
129.01152	1.0
133.10130	67.3
145.10135	1.8
147.04405	12.9
147.08008	0.9
147.11722	9.4
157.03947	3.5
160.12427	1.7
173.13336	1.6
175.03879	8.3
175.07518	7.2
175.14810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.5
59.45383	1.1
60.05643	1.7
70.06595	1.6
70.92661	0.9
71.06904	1.2
87.04448	4.3
98.06063	5.1
98.97578	1.3
108.33106	1.0
132.02115	100.0
176.01089	22.2
176.04710	1.7
176.07053	12.9
176.10420	1.4
176.12769	5.1
183.38503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09719	0.7
54.11002	0.8
55.54378	0.8
60.05658	1.2
70.06627	1.2
71.06950	2.0
73.19408	0.9
75.78527	0.8
87.04488	7.2
92.88306	1.1
98.06050	6.4
98.97581	6.2
99.04448	1.0
112.20884	0.9
116.07086	3.4
116.98613	1.8
117.05517	6.2
117.07455	1.3
126.05468	1.0
130.03485	1.1
132.02113	100.0
134.03540	1.8
144.03313	1.0
146.03670	1.0
147.37331	0.9
153.03937	1.4
176.01106	23.5
176.04689	5.7
176.07098	9.0
176.09152	2.2
176.12582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0706
Annotation	4-methoxy-1H-indole-3-carbaldehyde 
Peak:m/z	Relative Intensity
55.34997	0.2
57.23194	0.2
98.61202	0.3
98.97568	0.5
115.47090	0.3
116.97223	0.4
116.98612	0.4
120.08076	0.3
130.06544	0.3
131.99535	0.3
133.05206	0.4
134.95848	0.3
136.44205	0.3
148.07561	2.2
153.05815	0.3
176.07059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0916
Annotation	2-AMINOPIMELIC ACID
Peak:m/z	Relative Intensity
55.01874	0.7
58.06601	3.9
60.04520	0.8
60.05647	5.1
62.37531	0.7
68.05019	1.3
69.03416	5.4
70.06594	15.2
71.04980	4.5
71.06905	3.4
74.02431	1.0
74.83652	0.8
83.11974	0.8
84.04507	3.4
84.08142	11.5
85.02922	0.9
86.06052	4.2
87.04466	100.0
88.03992	3.6
88.07608	1.5
89.04324	1.0
90.05552	14.6
98.06053	76.2
99.04381	0.9
102.05545	1.0
112.07606	67.9
113.07146	1.6
113.07889	1.0
114.09166	2.1
116.03432	3.8
116.07085	43.7
116.97192	1.7
117.05484	3.8
117.07447	3.7
126.05508	3.3
128.07077	0.9
130.04979	3.4
130.07642	1.7
130.08638	38.9
130.09738	9.0
130.12267	1.1
131.01599	3.3
131.10135	1.0
134.08078	1.7
140.07057	12.5
148.03886	0.8
148.09698	1.0
158.08118	7.0
159.04730	1.5
159.07649	3.5
176.03372	1.4
176.05586	1.2
176.07071	22.8
176.09164	43.7
176.10350	4.9
176.12650	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1029
Annotation	O-(L-Norvalyl-5)isourea
Peak:m/z	Relative Intensity
58.06597	0.5
60.05653	13.3
65.70438	0.4
68.94112	0.5
69.54078	0.4
70.06600	10.5
70.07919	0.5
70.56938	0.5
71.04998	38.4
85.52599	0.4
87.04471	5.7
88.07641	2.9
98.06086	5.5
99.04450	4.1
101.91347	0.5
112.07570	2.2
114.05551	0.5
114.09164	1.2
116.07095	4.7
117.05496	9.8
130.09764	88.0
134.08128	15.1
159.07651	1.3
176.10309	100.0
188.55605	0.6
194.85802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.128
Annotation	(-)-Echinobetaine A
Peak:m/z	Relative Intensity
54.09400	0.4
55.13850	0.5
57.03437	0.5
58.06607	39.6
59.07387	7.8
60.04533	0.8
60.08178	5.2
66.45065	0.5
67.05521	0.6
69.68730	0.5
70.06601	3.7
71.04977	1.1
71.06924	0.5
72.08159	0.5
85.02881	1.2
85.06565	3.6
86.06060	0.9
87.04467	3.0
94.46725	0.5
98.06070	4.7
98.97582	2.1
100.07603	0.7
102.09203	0.6
110.17178	0.5
112.11185	2.0
114.09164	1.0
116.07095	0.7
116.97247	1.9
116.98587	0.9
117.05489	7.6
130.09720	0.5
130.12279	2.9
131.01643	2.8
134.08147	0.7
144.13821	7.7
152.96837	0.7
158.09273	0.7
158.11746	0.6
158.12901	0.5
174.02180	0.5
176.04871	0.7
176.06982	2.0
176.08220	5.5
176.12813	100.0
176.16296	7.2
179.64211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.3
55.16490	0.2
56.96577	6.1
61.26486	0.2
67.40946	0.2
71.95287	0.3
76.70099	0.2
98.97590	100.0
99.97918	3.7
100.69722	0.2
105.02233	0.3
113.00854	0.3
116.98624	62.6
117.03357	0.4
117.98969	3.0
121.01668	0.3
131.01907	4.2
134.99666	23.4
135.03221	1.4
136.00006	0.6
136.02527	0.3
145.02844	0.5
149.02934	0.5
153.00705	2.7
154.03481	2.0
159.01607	0.3
177.00745	1.5
177.04207	3.1
195.01678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.49162	0.2
63.02368	0.6
66.77086	0.3
74.72715	0.3
74.78692	0.2
78.04713	0.5
82.58562	0.3
86.23222	0.3
89.03916	14.0
89.30433	0.3
90.71531	0.3
91.05495	1.1
103.05487	1.1
106.04185	1.1
115.23807	0.3
117.03378	52.5
117.49039	0.3
119.04881	0.3
121.06496	0.5
123.55431	0.3
124.05228	0.3
126.59424	0.3
133.23273	0.3
134.03647	3.9
135.04411	3.6
145.02850	100.0
146.07254	0.3
147.04402	0.4
149.05977	21.5
162.03145	0.5
163.03928	1.3
173.81912	0.3
177.05466	25.1
177.08957	0.5
186.05501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36591	0.4
67.79510	0.4
67.84652	0.4
78.04748	0.7
86.66630	0.4
89.03920	13.4
91.05475	1.9
95.08634	0.8
106.04186	2.1
107.08598	2.1
114.67813	0.5
117.03379	51.3
121.06503	0.8
121.10156	2.7
134.03644	4.7
135.04391	3.9
137.69603	0.5
145.02849	100.0
149.05975	23.5
162.03098	3.7
163.03891	1.0
177.05461	34.6
177.07753	1.1
177.09094	1.2
177.16385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01855	0.7
56.80669	0.5
63.02381	0.7
78.04707	1.2
89.03925	13.5
90.20071	0.6
91.05471	5.5
93.07053	2.9
95.04971	1.2
95.08624	0.9
103.05457	2.6
106.04175	11.4
106.04844	0.9
107.08587	1.1
117.03381	49.9
117.07003	1.0
119.04887	0.6
121.06522	6.6
121.10159	3.3
124.05154	0.7
130.89575	0.5
131.08603	0.7
134.03644	5.1
135.04427	4.0
135.11711	0.8
145.02853	100.0
147.04521	0.9
149.05981	30.9
159.11711	0.9
162.03139	3.1
162.06729	0.8
163.03922	3.2
171.45238	0.5
177.05467	41.8
177.09077	24.0
177.12639	5.1
177.16412	1.2
186.05475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.93697	0.3
55.05523	0.6
56.64052	0.4
57.24407	0.4
63.02382	0.7
69.07085	1.8
79.05511	0.8
79.37036	0.5
83.08610	0.9
89.03918	14.2
91.05495	1.7
93.07052	1.1
95.08613	0.6
103.05481	0.8
106.04185	2.7
107.08588	5.5
110.27493	0.5
117.03379	53.9
117.07053	0.7
121.06518	0.8
121.10140	7.2
129.13869	0.5
134.03603	4.3
135.04417	3.0
135.11743	1.1
145.02847	100.0
149.05977	24.3
162.03075	0.6
163.03917	1.8
177.05458	27.6
177.08997	5.6
177.16376	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58093	0.5
63.02392	0.6
89.03918	17.6
91.05493	1.0
91.24597	0.5
97.58768	0.5
102.15530	0.5
106.04176	0.8
116.15243	0.6
117.03381	56.8
119.04915	0.6
119.08675	0.6
121.06474	1.1
134.03629	6.5
135.04425	5.7
142.12889	0.5
145.02852	100.0
149.05980	26.3
159.81430	0.6
162.03102	3.3
163.03894	4.9
171.42482	0.5
177.05476	37.1
177.06927	2.2
177.13855	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02354	1.0
87.84037	0.6
89.03918	14.0
91.05485	1.1
103.05437	0.9
117.03379	53.3
121.06526	1.0
134.03653	4.6
135.04405	4.2
145.02852	100.0
149.05980	29.4
162.03099	1.6
163.03925	3.4
175.05408	0.7
177.05466	37.4
177.06879	2.0
177.13895	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.31149	0.7
78.04700	0.7
81.07036	0.8
89.03911	13.9
91.05475	7.8
93.06990	0.8
95.08601	1.4
107.08562	3.2
109.10142	0.7
117.03376	51.6
117.07041	0.7
121.10137	4.7
124.05172	0.7
134.03627	4.2
135.04396	4.0
135.11661	0.9
136.07582	4.5
145.02847	100.0
149.05986	22.5
162.03082	4.8
163.03902	1.0
177.05452	35.4
177.09045	2.4
177.12679	1.3
177.16417	4.3
198.15015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05499	0.4
61.43484	0.3
63.02406	0.5
67.05518	0.4
69.07060	1.7
78.04701	0.7
79.05479	1.6
81.07041	1.7
89.03922	15.6
91.05492	3.8
93.07052	3.3
93.39247	0.3
95.04988	0.8
95.08592	2.6
103.05480	0.7
105.07070	1.4
105.18767	0.3
106.04187	3.0
107.08601	5.5
109.10180	0.6
115.05479	0.4
117.03383	52.9
117.07020	1.8
119.04947	0.5
119.08612	0.5
121.02840	0.8
121.06512	2.9
121.10154	8.6
124.05109	0.4
131.04890	0.7
131.08592	0.7
134.03635	5.7
135.04433	4.7
135.08049	0.5
135.11694	2.3
136.07570	0.4
145.02852	100.0
149.05986	27.6
149.09567	0.4
159.08025	0.4
159.11684	0.8
162.03113	4.6
162.06731	2.4
163.03868	2.3
176.94180	0.3
177.05476	32.0
177.09087	26.3
177.10654	0.7
177.12660	3.1
177.16437	5.3
186.05525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.3
55.01881	0.5
58.56511	0.2
63.02373	0.8
78.04718	1.6
79.05509	0.3
81.07061	0.3
89.03917	13.7
91.05480	4.8
93.07056	1.9
95.04988	1.5
103.05463	3.3
104.75000	0.2
105.04507	0.4
105.07016	0.3
106.04178	10.1
107.04993	0.6
107.08622	0.5
109.06499	0.3
115.05506	1.0
117.03383	50.7
117.07029	2.5
117.94542	0.3
119.04958	0.7
121.06511	6.6
121.10172	1.3
124.05244	0.6
131.04951	1.3
131.08589	0.3
134.03650	6.4
135.04428	6.4
135.11790	0.3
145.02853	100.0
145.06503	1.8
146.07292	1.2
147.04404	0.6
149.05984	31.7
149.13304	0.3
158.06036	0.4
159.11757	0.3
162.03101	4.8
162.06776	2.7
163.03894	3.2
165.01784	0.3
177.05467	43.9
177.09084	33.1
177.12735	1.5
177.16281	0.5
178.54564	0.3
186.05534	2.1
186.60385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
62.27735	0.6
63.02366	0.6
81.03408	0.7
81.07001	0.7
89.03912	9.7
89.19707	0.6
91.05470	3.4
91.74479	0.6
100.15662	0.6
103.05463	1.2
106.04173	8.1
117.03369	46.2
117.07001	1.3
120.26900	0.6
121.06488	4.7
131.04913	1.3
134.03644	4.7
135.04391	3.1
145.02841	100.0
145.25304	0.6
147.04422	0.8
149.05977	26.3
162.03140	1.4
163.03940	1.5
177.05444	38.5
177.09084	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	0.4
63.48970	0.2
78.04729	0.3
89.03917	14.7
91.05482	1.2
95.04975	0.5
103.05473	1.3
106.04177	1.1
108.28317	0.3
117.03379	53.2
121.06470	0.4
124.05203	0.5
124.41607	0.2
125.77522	0.2
129.04512	0.3
134.03630	4.2
135.04411	4.4
145.02849	100.0
147.04393	0.4
149.05980	24.4
151.53171	0.8
162.03108	1.8
163.03883	2.2
177.05461	29.4
177.08958	1.0
186.05481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.45695	0.5
59.77360	0.4
68.05022	0.5
72.03620	0.5
78.04675	0.8
82.05325	1.1
83.05644	0.7
89.03912	10.8
91.05489	0.7
91.35426	0.5
93.07037	0.9
93.12252	0.6
95.04947	0.7
95.06079	2.2
96.06399	0.6
106.04153	0.8
109.07645	0.7
117.03374	51.4
121.10136	0.8
134.03661	4.0
134.07129	1.1
135.04439	3.9
136.08659	3.4
137.09515	1.1
145.02844	100.0
149.05971	22.1
163.03961	0.8
176.10120	0.8
177.05452	27.1
177.06783	0.9
177.11240	8.7
177.12715	1.6
177.16386	0.6
186.05498	0.9
187.32869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	0.4
56.90951	0.5
63.02372	0.5
75.69083	0.5
77.59462	0.5
78.03465	0.5
78.04710	1.1
86.56151	0.5
89.03918	14.5
89.04449	0.7
91.05493	3.9
93.07047	2.3
93.22082	0.5
95.04993	1.3
99.33849	0.6
103.05492	0.7
106.04191	4.2
107.08572	0.8
117.03378	49.1
117.06946	0.9
120.68885	0.6
121.06510	3.6
121.10198	0.8
131.71437	0.5
134.03606	5.5
135.04427	6.3
145.02849	100.0
145.98511	0.5
147.00774	0.9
149.05977	28.5
150.16103	0.5
162.03119	5.4
163.03888	1.2
165.01837	0.8
177.05472	36.8
177.09036	6.7
177.16356	1.9
186.05487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
54.79697	0.2
58.24465	0.2
63.02383	0.4
65.86472	0.2
69.07061	0.2
72.33746	0.2
78.04709	0.9
79.05499	0.3
79.91495	0.2
81.07079	0.2
89.03920	13.8
91.05498	2.7
93.07043	0.4
95.04977	0.4
95.08606	0.3
103.05437	1.4
106.04193	2.5
107.08604	0.3
117.03378	51.8
119.04919	0.4
121.06491	1.7
121.10136	1.1
124.05201	0.4
128.95935	0.2
129.04488	0.2
131.04956	0.8
134.03632	5.5
135.04417	5.2
135.11652	0.2
145.02847	100.0
146.07266	1.0
147.04410	0.5
149.05977	24.4
158.05978	0.2
159.04398	0.2
160.52779	0.2
162.03098	2.0
163.03902	2.7
165.01843	0.3
165.44106	0.2
177.05461	32.5
177.08919	2.9
177.12743	0.5
177.16385	1.3
186.05516	1.7
194.61043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28743	0.4
53.81207	0.4
56.79885	0.4
67.40520	0.4
77.34061	0.4
89.03907	1.9
101.18412	0.5
116.98640	1.1
117.03378	6.6
120.08152	0.5
131.01898	0.6
132.08121	0.9
134.03722	0.5
135.04465	0.7
135.05598	0.5
145.02852	11.1
146.08371	2.1
148.07567	10.8
149.06036	3.6
149.07155	1.2
149.08368	26.6
150.42265	0.5
154.03447	0.7
159.09088	0.8
160.03757	0.5
160.07629	0.5
162.05714	0.5
176.07076	3.3
177.05368	4.5
177.07848	100.0
177.10132	17.6
179.65062	0.5
199.51648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.72836	0.2
53.77952	0.1
55.76183	0.1
63.02314	0.3
70.82733	0.2
78.04645	0.9
79.05441	0.2
81.80413	0.2
84.68359	0.2
89.03920	7.4
89.04468	0.4
91.05470	2.8
93.06988	0.4
94.77359	0.2
95.04947	0.3
103.05419	0.9
105.04451	0.2
105.07008	0.3
106.04172	2.8
115.05408	0.8
116.06185	0.2
117.03376	28.7
117.07015	6.4
117.95171	0.2
119.04925	0.4
119.08544	0.3
121.06498	2.7
121.10116	0.3
124.05184	0.4
129.04449	0.3
131.04884	0.2
131.08589	0.2
133.06400	0.4
134.03630	2.7
134.07277	0.7
135.04422	2.7
135.08029	1.0
137.00133	0.2
144.05788	0.3
145.02847	57.2
145.06470	1.3
146.07309	0.2
147.08072	0.3
149.05977	15.7
149.09610	0.7
161.06044	0.2
162.03127	1.5
162.06758	7.7
162.08009	0.3
163.03958	1.0
177.05530	17.5
177.09097	100.0
186.05688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
58.69676	0.3
63.79926	0.3
79.05486	0.4
86.82241	0.3
87.30651	0.3
89.03897	1.5
91.05463	1.6
92.21752	0.3
103.05502	0.3
105.07034	0.4
115.05436	0.6
117.03369	5.8
117.07024	6.3
119.08575	0.4
121.06500	0.8
133.06534	1.2
133.12268	0.3
134.03641	0.6
134.07266	1.5
135.08083	0.7
144.05699	0.8
145.02847	10.6
145.06493	0.8
146.07228	0.4
147.08052	0.3
149.05989	3.2
149.09642	1.5
156.13820	0.4
159.08064	0.4
162.06776	5.9
164.38283	0.3
177.05511	3.1
177.07188	3.0
177.09102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0908
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
65.01610	0.4
67.05516	0.5
78.04719	1.0
79.05476	1.6
89.03910	9.5
91.05473	5.5
93.07066	3.0
95.04951	2.0
103.05464	2.0
105.04523	0.6
106.04176	8.4
107.04993	0.5
107.08585	0.8
112.10745	0.4
115.05444	0.8
117.03376	35.2
117.07006	8.4
118.34441	0.5
118.59215	0.4
119.04924	0.7
120.91190	0.4
121.06509	7.4
121.10146	0.8
128.84695	0.4
131.04962	0.9
131.08591	0.8
131.33836	0.4
134.03650	3.0
134.07222	1.6
135.04436	3.9
135.08040	0.8
135.11714	0.5
145.02844	68.4
147.04330	0.5
149.05980	21.0
149.07150	0.8
149.09563	0.8
159.11647	1.7
162.03105	3.2
162.05557	0.6
162.06763	8.7
163.03922	1.8
177.05475	34.8
177.09088	100.0
177.16330	0.7
186.05435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
62.69707	0.2
69.07058	0.4
78.04714	0.2
79.05486	0.3
81.07059	0.3
83.08635	0.3
89.03911	5.2
91.05479	1.7
93.07026	1.1
95.04955	0.4
95.08589	0.9
99.78898	0.2
103.05471	0.4
105.07026	0.5
106.04173	1.1
107.08611	1.8
115.05433	1.0
116.06223	0.3
117.03374	19.1
117.07014	6.7
119.04919	0.3
119.08504	0.3
121.06506	2.0
121.10140	2.3
131.04878	0.3
131.08586	0.3
133.06537	0.4
134.03656	2.1
134.07231	0.8
134.30670	0.2
135.04376	1.5
135.08058	0.9
135.11713	0.4
144.05670	0.4
145.02844	35.4
145.06482	0.9
147.04414	0.2
149.05975	8.9
149.09624	1.3
149.13205	0.3
159.11726	0.3
162.03119	0.9
162.06746	7.0
163.03889	1.1
165.80685	0.2
175.07535	0.2
177.05559	12.4
177.09094	100.0
177.16342	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87878	0.3
58.90502	0.2
64.21825	0.3
69.02393	0.3
75.66990	0.3
79.05509	0.4
81.07047	0.4
89.03928	5.3
91.05479	4.0
93.07056	1.4
95.04980	0.6
95.08624	0.5
98.47656	0.3
103.05466	0.8
105.07047	0.8
106.04199	3.0
107.08604	0.6
114.54439	0.3
116.06277	0.5
117.03378	15.9
117.07043	4.7
121.06515	4.3
121.10128	0.8
124.88988	0.3
131.04956	0.4
131.08562	0.7
133.06509	0.6
134.03610	1.6
134.07269	0.7
135.04433	1.8
135.08052	1.5
141.00824	0.4
145.02859	33.6
145.06477	0.6
149.05998	10.4
149.09660	0.5
149.13251	0.4
159.08066	0.4
159.11705	0.6
162.03091	0.6
162.05511	0.6
162.06755	7.7
163.03937	0.4
177.05542	13.3
177.09105	100.0
186.05388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.03469	0.8
55.05513	0.6
56.05024	1.4
68.05036	0.9
69.07060	1.2
79.05489	1.4
81.07029	1.1
82.05324	1.0
83.05636	0.9
83.23438	0.7
84.71653	0.7
86.08134	0.7
89.03910	1.7
91.05497	6.5
93.07066	5.1
95.06100	2.9
95.08612	1.8
105.07019	4.4
107.04955	0.8
107.08614	5.2
108.05576	1.1
109.07662	1.4
109.10166	1.1
111.09150	0.8
111.37159	0.7
117.03402	11.9
117.07030	3.1
119.06098	0.9
119.07749	1.4
119.08585	36.0
121.06525	1.0
121.10143	6.5
122.07155	1.8
131.08566	1.5
133.10123	10.9
134.07159	1.8
134.10916	3.2
135.06598	1.1
135.08105	13.7
135.11732	1.2
136.02150	1.1
136.05180	1.4
136.06172	7.1
136.08746	8.7
137.09621	39.8
143.24597	0.7
144.09346	1.5
145.02852	21.9
145.03940	1.5
147.09174	4.3
149.05956	4.4
149.09618	6.6
149.13277	13.7
150.10268	1.0
155.37637	0.7
159.11670	4.6
160.08716	1.4
161.09641	11.0
177.05435	6.5
177.07729	1.8
177.09055	2.7
177.11327	12.4
177.12737	100.0
177.16331	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.26923	0.7
53.03946	0.9
55.01880	1.1
56.11216	0.7
57.03439	1.4
60.18754	0.9
60.59328	0.8
67.05177	0.9
67.05502	9.8
69.07077	3.4
79.05495	11.7
81.03438	1.6
81.07065	16.6
83.04974	1.2
83.08616	1.1
91.05482	14.5
93.07037	27.7
95.04965	5.0
95.08612	3.6
97.06523	4.2
103.79627	0.9
105.07013	8.6
107.04945	1.6
107.08590	10.0
109.06425	0.9
117.03347	5.2
117.07018	12.3
119.08566	4.6
121.06512	1.8
121.10149	6.9
128.40665	0.8
131.08566	13.7
133.10126	21.7
135.08029	7.9
135.11696	5.4
145.02840	10.1
149.05934	1.2
149.09636	1.3
149.13274	12.5
154.12782	0.9
154.97066	0.9
159.11684	36.9
166.24785	0.9
177.05411	5.8
177.12735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.21177	0.7
55.01883	1.3
55.05517	1.6
57.03441	1.9
57.15369	0.8
59.58704	0.9
66.56754	0.8
67.05510	10.1
69.07063	4.5
70.21004	1.0
74.64899	0.8
79.05492	12.6
80.78369	0.8
81.03431	1.5
81.07065	17.4
83.04965	1.3
83.08613	3.1
89.03925	9.1
91.05475	15.9
93.07040	27.3
95.04954	5.2
95.08584	7.0
97.06529	6.0
105.07029	8.3
106.04160	2.1
107.04912	1.8
107.08592	16.4
109.06522	1.8
109.10182	0.9
117.03371	35.2
117.07027	13.0
119.08570	4.5
121.06510	6.2
121.10138	12.8
131.08557	16.9
133.10139	23.8
134.03625	1.7
135.04417	4.4
135.08032	4.9
135.11699	7.8
145.02847	66.0
149.05998	18.5
149.09593	3.6
149.13255	12.3
159.08044	1.4
159.11693	33.9
162.03105	2.0
163.03914	1.3
174.67819	0.8
177.05460	24.1
177.06795	2.3
177.09106	8.0
177.12735	100.0
177.16354	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.44134	0.2
60.32204	0.2
71.99074	0.5
85.27766	0.2
102.36652	0.2
114.03784	1.6
118.03664	0.3
118.26456	0.2
118.96749	0.9
132.04433	1.2
137.05988	0.4
137.07022	0.3
146.03177	1.2
150.05367	0.4
150.06386	0.3
154.96448	0.4
160.03931	10.3
161.04645	0.3
162.25739	0.3
163.03568	0.2
178.04985	100.0
178.08505	11.1
178.12241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0498
Annotation	Isalexin
Peak:m/z	Relative Intensity
54.76101	0.3
55.05513	0.6
56.58707	0.3
58.94780	0.3
59.45381	0.3
67.34375	0.3
71.99096	0.6
86.06078	0.4
105.76521	0.3
108.04481	0.5
110.12704	0.3
114.03767	3.9
115.05433	0.5
118.03741	0.5
118.96726	3.1
119.05282	0.3
128.88104	0.3
132.04439	2.7
132.08069	2.8
133.99088	0.7
134.06006	2.7
135.04445	0.7
143.04938	2.3
146.03177	0.7
146.06033	1.3
150.05476	0.4
150.08934	0.6
154.96448	0.7
160.03905	2.8
161.04727	28.1
161.05933	2.2
163.06261	3.3
164.60718	0.3
177.98064	0.4
178.05005	87.8
178.08620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08446	0.2
54.94047	0.3
55.05504	0.4
55.99318	0.3
57.67230	0.2
58.23120	0.3
66.44929	0.3
67.09830	0.3
69.74248	0.3
71.99118	0.6
72.18083	0.3
76.80721	0.3
80.87868	0.3
91.05506	0.4
93.07052	0.5
103.05463	0.7
105.07034	0.7
109.17072	0.3
111.55659	0.3
114.03774	2.8
114.09997	0.3
117.03361	0.3
118.03702	1.5
118.06531	0.5
118.96744	0.4
119.04973	0.5
119.07303	1.2
120.08102	5.3
130.06520	1.5
131.04929	4.0
132.04488	2.3
132.07143	0.5
132.08093	12.7
133.06500	0.5
134.09654	13.4
135.04388	1.7
135.94106	0.3
143.04854	0.4
146.03139	2.7
148.07579	4.7
149.05974	17.9
150.06332	0.6
160.03920	9.4
160.07555	0.5
161.04683	0.7
161.05951	9.7
178.04980	100.0
178.08606	57.9
178.12230	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1225
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
55.05519	0.5
60.34699	0.3
60.98131	0.4
66.07026	0.3
71.99102	1.5
79.04222	0.4
82.33076	0.3
105.07005	0.4
106.25805	0.3
114.03770	2.4
117.03259	0.4
118.03693	0.5
118.06522	2.0
118.96777	0.7
119.05289	0.4
119.07313	2.0
120.08109	1.4
124.76311	0.4
130.06496	0.4
131.04942	0.8
132.04445	0.7
132.08096	7.7
132.96257	0.3
134.09647	30.3
135.04282	0.4
143.05000	0.5
146.03125	3.2
148.07607	0.8
149.05974	3.3
150.09079	0.7
160.03940	2.4
160.07527	0.4
160.11224	0.5
161.04770	0.4
161.05940	2.8
162.09177	0.4
178.04945	22.8
178.08659	26.2
178.12254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
60.34699	0.3
60.98131	0.4
66.07026	0.3
71.99102	1.5
79.04222	0.4
82.33076	0.3
105.07005	0.4
106.25805	0.3
114.03770	2.4
117.03259	0.4
118.03693	0.5
118.06522	2.0
118.96777	0.7
119.05289	0.4
119.07313	2.0
120.08109	1.4
124.76311	0.4
130.06496	0.4
131.04942	0.8
132.04445	0.7
132.08096	7.7
132.96257	0.3
134.09647	30.3
135.04282	0.4
143.05000	0.5
146.03125	3.2
148.07607	0.8
149.05974	3.3
150.09079	0.7
160.03940	2.4
160.07527	0.4
160.11224	0.5
161.04770	0.4
161.05940	2.8
162.09177	0.4
178.04945	22.8
178.08659	26.2
178.12254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41906	0.1
57.07068	0.1
60.00657	0.1
82.99837	0.6
83.95465	0.1
89.17773	0.1
100.02479	0.2
101.00879	16.1
103.15887	0.2
115.02408	0.6
115.03326	0.1
118.03558	0.2
119.01916	100.0
120.02003	0.2
121.02320	0.2
133.01663	0.3
133.03464	2.5
137.02956	32.0
142.03540	1.3
143.01862	0.8
143.03664	1.1
151.04523	0.2
156.05026	1.8
158.86938	0.2
160.04520	0.5
161.02940	21.4
161.04645	4.0
174.06075	0.2
179.04004	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.69898	0.4
54.87622	0.4
55.01860	0.5
65.03935	0.8
66.14391	0.5
75.49208	0.5
79.22340	0.4
80.05025	0.6
91.05482	14.0
95.15566	0.6
105.07014	0.5
119.01919	1.2
119.04943	55.9
121.06505	22.2
133.06543	0.7
136.05093	0.6
136.07582	0.7
137.05997	6.8
147.04413	100.0
151.07523	2.0
156.03061	0.5
161.05928	2.1
164.04677	1.3
179.07010	19.8
179.08916	5.9
179.14352	0.5
184.58577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.12868	3.4
55.01867	8.0
55.05513	13.2
55.32644	3.3
66.26429	3.3
67.05511	73.4
69.07063	14.6
69.76837	3.5
73.98131	3.5
79.05487	47.9
81.03413	16.5
81.07059	77.7
83.04980	27.4
83.08614	17.8
91.05478	43.6
93.07039	35.4
95.04996	6.1
95.08604	72.7
97.06541	26.3
105.07033	18.8
107.08610	4.3
109.06522	5.9
109.10151	15.5
111.08096	4.6
113.09647	4.5
119.08569	36.4
121.10109	8.3
133.10133	23.2
135.11662	5.3
136.58092	3.6
137.08122	4.3
161.13225	29.7
165.56001	3.7
179.10608	4.7
179.14273	100.0
181.26971	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.25386	1.8
54.42128	1.6
55.01891	2.7
55.05515	12.6
57.07067	2.9
57.16885	1.5
63.26911	1.5
67.05511	66.6
68.05032	4.3
68.35960	1.8
69.04555	2.3
69.07063	8.8
71.04989	2.9
79.05491	21.2
81.03430	3.6
81.07063	100.0
83.04975	11.9
83.08615	7.0
83.60397	1.9
85.06569	2.2
91.05470	10.5
92.21544	2.3
93.07029	13.0
95.04999	2.9
95.06096	28.5
95.08607	78.8
97.04034	7.0
97.06552	14.0
97.07668	2.2
97.10170	2.8
99.08110	2.6
105.07045	15.2
107.08605	4.2
109.06529	4.5
109.10165	28.2
110.07158	3.3
111.08028	3.0
119.08582	18.5
120.05606	4.1
121.10110	3.2
123.08018	2.2
123.11718	10.6
127.33850	1.6
133.10124	13.7
135.11668	3.7
137.07211	2.5
137.08224	70.7
137.09456	2.8
137.09712	2.9
138.06607	3.2
138.10262	7.0
142.12898	1.9
147.04407	3.2
151.44325	1.8
156.49907	1.8
161.13264	23.1
162.10280	2.4
179.09491	13.7
179.10748	6.2
179.12881	9.1
179.14293	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26009	7.3
60.04525	31.3
72.04513	18.1
84.04507	52.9
85.02903	44.9
96.04490	14.7
97.02898	8.6
98.06045	9.1
109.00531	9.0
110.64211	7.5
116.07109	7.6
120.02003	16.0
126.78163	6.8
127.03890	12.8
136.49654	8.1
144.06561	34.7
156.97496	80.8
157.03409	13.7
157.04596	8.2
162.03012	9.2
162.07602	81.9
165.08971	36.9
174.98518	77.0
178.97234	8.1
179.99054	100.0
180.11281	10.6
198.00119	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0656
Annotation	Iseluxine
Peak:m/z	Relative Intensity
56.96585	3.8
56.96805	0.5
69.03430	0.8
79.05508	0.6
84.04531	0.5
85.02905	4.1
91.05486	5.5
97.99216	1.0
106.06567	0.6
108.04493	1.9
117.06998	2.6
118.10381	0.5
119.04957	3.4
121.02879	11.3
124.07555	0.6
127.03899	0.6
134.06027	4.1
135.04369	0.9
136.07576	1.0
137.05986	43.6
139.03908	5.3
145.05376	0.5
145.06499	6.5
151.03874	0.7
151.07584	0.8
152.07072	6.2
162.05504	8.4
162.07716	0.6
162.09186	2.2
163.03899	0.8
163.07550	8.3
180.06557	100.0
180.10094	11.0
180.13834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84637	1.1
54.91330	1.2
55.01873	2.3
56.96565	13.4
57.03436	6.1
60.04523	1.8
61.02922	8.5
62.18798	1.1
65.03922	1.2
69.03432	15.6
73.02914	5.6
81.03421	2.6
85.02908	100.0
87.04450	1.6
91.03935	3.1
94.06579	1.4
97.02888	12.5
97.99186	2.2
99.04465	2.4
106.06460	1.3
108.04482	2.4
109.02911	2.3
110.05994	1.4
111.04427	1.8
115.03922	1.5
120.96519	1.4
121.06507	10.4
127.03912	26.1
134.06017	6.4
136.07600	4.9
137.06027	2.2
139.08597	2.0
143.98337	1.3
144.06557	2.4
145.02423	1.3
145.04947	14.6
145.06502	1.7
148.04755	1.9
152.07040	2.8
155.16724	1.1
162.07608	1.8
163.03915	1.8
163.07567	6.8
180.06529	14.9
180.08345	5.9
180.10185	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45029	1.7
55.01878	3.0
56.96566	14.7
57.03430	4.5
57.19731	1.7
60.04536	2.9
61.02930	15.5
61.36372	2.0
69.03432	22.5
70.54863	1.6
73.02912	11.2
79.05479	2.2
79.38290	1.8
80.74093	1.7
81.03430	2.4
83.19292	2.3
83.59108	1.9
84.84962	1.7
85.02903	100.0
91.03954	11.2
91.05458	2.3
97.02887	24.4
97.61852	2.0
99.04449	4.7
106.06557	3.1
107.04928	2.6
108.04482	10.9
109.02834	3.4
117.07018	10.2
119.04945	2.5
120.05318	2.1
121.06480	2.6
127.03931	24.1
131.48605	2.0
134.05977	3.4
135.04395	3.3
137.05948	15.7
138.05493	10.5
144.06577	3.8
145.05006	14.0
145.06490	29.7
148.04805	3.4
152.06989	19.0
158.31953	2.0
162.05450	3.2
162.07550	3.3
162.09146	2.5
163.03877	13.9
163.06165	3.6
163.07501	42.3
172.51970	2.0
177.04443	2.0
180.04167	2.7
180.06490	38.1
180.08711	9.3
180.10124	42.3
180.13786	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1381
Annotation	Mexiletine
Peak:m/z	Relative Intensity
51.12847	0.3
56.96574	27.2
66.85641	0.3
93.07075	0.4
97.99181	6.5
100.80730	0.3
107.08607	0.8
110.06042	0.6
116.00233	1.6
121.10152	0.4
124.07587	27.8
124.08501	0.9
136.07545	0.6
137.08359	26.5
138.09172	3.5
151.44090	0.4
180.13823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1746
Annotation	Memantine
Peak:m/z	Relative Intensity
51.69056	1.0
55.05504	2.1
56.96573	100.0
61.53546	1.1
69.07047	2.2
79.05485	1.7
81.07056	5.6
84.08154	2.8
93.07033	3.2
95.08604	2.2
96.08124	1.4
97.99187	25.7
107.08582	2.2
110.09698	2.6
114.75404	1.4
116.00224	7.7
117.52280	1.3
121.10170	2.3
124.11182	1.4
126.87793	1.2
135.11623	1.8
138.12692	1.6
149.01114	1.7
163.14799	2.6
180.04526	1.2
180.10185	3.0
180.17467	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.60265	0.2
55.01867	1.0
55.05508	0.4
56.96579	3.4
57.93563	1.6
67.05502	0.5
68.99786	2.0
69.03433	0.2
79.05527	0.8
83.01348	2.3
83.04968	0.4
87.72935	0.2
91.63242	0.2
93.39322	0.2
95.04971	1.4
97.02863	0.3
97.06500	0.4
97.99173	0.3
98.97591	43.7
107.08614	0.2
110.03659	1.5
116.97271	10.4
116.98618	25.8
125.02340	2.9
125.06003	0.6
134.98630	0.3
134.99664	10.6
138.03133	11.9
139.98799	1.9
140.00192	1.3
141.05519	0.3
148.88437	0.2
151.03935	2.3
153.00812	0.7
153.01839	11.4
153.05475	1.7
158.01271	1.5
165.01793	1.1
166.02618	14.8
181.04958	100.0
184.03659	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
55.53428	0.4
60.58793	0.4
67.05523	0.5
74.89798	0.4
78.04693	0.5
91.05477	2.4
93.07042	0.5
95.04975	0.8
98.97595	8.5
103.12029	0.5
107.04969	0.8
109.06535	0.9
109.45168	0.4
116.98586	4.3
118.64699	0.4
120.05729	0.6
121.06458	0.8
123.04417	2.2
134.99689	1.0
135.04376	0.5
136.05202	2.9
137.05980	7.3
138.06750	4.0
140.31563	0.4
148.05200	28.4
149.06027	0.9
151.03915	2.5
165.05440	0.9
166.06229	5.6
181.08600	100.0
182.45187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30757	0.4
65.03877	0.6
66.24104	0.4
68.29610	0.4
70.06532	0.5
70.06899	0.4
71.34196	0.4
74.88002	0.4
78.40803	0.5
79.05409	0.6
79.13409	0.5
80.27297	0.5
83.78001	0.4
86.21053	0.4
91.05380	4.0
93.03306	4.4
93.06979	0.7
98.97595	3.6
98.98056	0.5
107.04967	3.5
108.05172	0.5
110.07122	1.7
111.04453	17.3
116.05715	1.1
116.98551	1.9
117.06932	1.2
118.07354	12.1
119.04851	2.2
121.06454	0.9
135.03529	0.6
135.04424	12.2
135.09998	0.5
136.04735	0.7
136.08548	1.1
136.92368	0.4
137.06001	6.4
138.06282	2.3
139.03908	28.5
146.06819	27.6
146.07993	0.8
152.07867	0.8
153.05426	0.7
163.03880	6.4
163.04918	0.5
163.07530	3.1
164.07881	100.0
181.02927	0.8
181.05008	2.8
181.10561	77.9
202.46152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
55.05516	4.6
56.96571	13.1
57.03463	0.6
57.07070	3.9
67.05495	3.4
67.50755	0.7
69.07059	1.1
71.04984	0.6
79.05476	3.1
81.03393	0.8
81.07054	3.9
83.04968	5.4
83.08587	0.8
85.06543	1.0
91.05468	1.5
93.07041	9.5
95.04954	2.9
95.08598	7.5
97.06538	4.5
98.97585	100.0
105.07008	1.2
107.08585	9.6
109.06516	1.1
109.10190	0.7
111.04452	19.6
111.08094	4.5
113.43833	0.6
116.97228	6.4
116.98618	79.3
117.06990	0.9
119.08562	1.2
121.06487	2.9
121.10134	5.5
123.08101	1.1
125.05992	26.5
134.99658	39.6
135.08096	5.1
135.11687	12.3
138.03110	1.3
138.06793	0.9
139.07550	1.0
139.98759	1.2
140.00203	3.0
145.10121	8.3
149.05952	1.3
153.00708	4.5
153.01758	0.7
153.12764	2.6
158.01263	2.5
163.03889	0.8
163.11171	15.5
166.02617	3.2
166.07753	1.3
181.04938	6.3
181.06384	1.3
181.08696	1.6
181.10133	5.6
181.12225	43.7
184.03703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.50653	2.0
55.24688	1.9
56.07523	1.7
56.96559	2.2
57.93560	2.7
66.45972	1.9
67.05518	3.0
70.28463	1.7
79.05479	1.9
80.12799	1.7
81.07056	2.8
93.07040	11.3
95.08599	8.6
97.06521	4.4
98.97585	56.5
107.08593	9.4
111.04409	9.2
111.08090	3.4
116.97231	30.9
116.98603	26.2
118.37389	2.1
125.06005	44.7
134.99672	11.3
135.08112	2.6
135.11685	12.4
138.06706	2.8
139.98776	2.7
145.10158	3.8
146.77739	1.9
153.12643	4.1
163.11179	16.9
181.12231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
56.12696	0.4
56.96578	0.7
57.07079	0.8
58.88738	0.4
59.05005	0.9
67.93474	0.5
72.78893	0.5
79.05501	1.0
81.07061	2.4
81.67803	0.5
93.07039	6.0
95.08612	7.8
98.96984	1.1
98.97585	16.0
107.08597	13.1
116.98618	8.4
119.08549	0.7
121.06461	0.9
121.10134	7.7
123.08064	2.6
125.06007	1.3
134.99692	3.0
135.11703	27.9
137.09569	0.7
137.13367	0.6
139.07539	5.5
145.10141	4.9
146.90138	0.6
153.12740	1.2
154.26974	0.6
163.09799	0.7
163.11168	21.3
181.12233	100.0
200.73425	0.6
204.28462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
55.05518	21.6
56.96564	1.4
57.07080	13.1
67.05497	5.1
69.03439	1.2
69.07079	1.9
79.05503	3.0
81.07060	6.3
83.04989	13.4
85.06535	1.8
91.05473	4.5
93.07042	16.6
95.04974	1.8
95.08611	16.5
97.06519	5.5
98.97582	25.7
99.15861	1.2
102.03151	1.3
105.07034	2.7
107.08590	29.5
109.06528	7.1
109.10156	2.2
111.04439	100.0
111.08091	6.6
113.06008	3.0
116.98615	12.9
121.06511	5.4
121.10135	4.6
122.07233	1.9
125.05996	37.4
127.07558	3.1
134.99680	4.8
135.08069	23.2
135.11685	28.7
138.06866	1.3
139.07523	2.2
141.87677	1.2
145.10110	22.1
153.12775	5.1
158.07802	1.1
163.11180	23.2
172.68964	1.1
172.84694	1.1
181.12238	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01860	0.9
55.05511	5.8
56.72342	0.7
56.96566	9.1
57.03422	0.8
57.07082	0.9
62.02029	0.7
65.03934	0.7
67.05513	6.1
69.03409	0.9
69.07066	3.8
71.05008	1.1
79.05499	12.7
81.07062	10.5
83.04967	5.0
83.08621	3.7
85.02853	0.9
91.05480	4.9
92.41913	0.7
93.07037	18.8
95.04964	6.0
95.08607	21.2
97.06516	3.7
98.97582	100.0
103.05472	1.4
105.07023	3.5
107.04967	4.2
107.08604	17.6
109.06497	0.9
111.04424	1.3
111.08096	1.4
116.97232	5.0
116.98613	68.9
117.06998	1.6
119.08601	3.1
121.06482	10.6
121.10139	11.7
123.08086	0.8
125.05977	7.4
125.06757	0.7
134.99654	28.8
135.11696	22.2
140.00194	3.4
145.10127	12.0
149.05975	4.7
153.00708	3.6
153.09105	0.8
153.71780	0.9
158.01234	1.7
163.03886	1.1
163.11162	28.4
163.41595	0.9
181.05013	2.1
181.08592	4.4
181.10049	2.0
181.12222	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.13717	1.1
53.57373	1.1
55.05515	1.7
57.07074	1.7
58.02974	14.5
67.05502	6.3
67.42255	1.4
69.07072	37.6
81.07061	7.7
83.08633	2.9
84.08146	5.8
92.21565	1.6
93.07034	3.4
96.67503	1.6
98.97592	13.0
99.97932	5.2
100.07599	3.0
105.07043	7.5
107.08613	8.4
109.10167	29.0
112.60413	1.6
114.09167	9.8
116.98636	9.9
117.98978	2.9
123.11679	6.1
126.09148	10.0
133.10129	21.4
134.99666	3.0
135.11688	10.3
138.12772	6.6
147.11661	2.9
151.11195	9.5
153.12740	13.4
182.15405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
56.96569	0.4
67.05493	0.8
69.07058	0.7
81.07042	1.8
82.15186	0.4
84.08144	0.9
94.06534	0.4
95.04980	1.6
95.08601	2.1
98.97593	5.2
99.97935	1.4
107.08549	0.4
108.08111	1.9
109.06538	3.5
109.10128	0.5
110.06038	0.6
111.06821	5.5
112.07615	11.0
116.98619	1.7
117.98961	0.5
123.08099	0.7
123.11671	0.6
124.07649	0.4
134.99718	0.4
135.99994	0.4
137.13260	0.9
140.14305	0.9
147.11658	0.5
164.14386	4.3
165.12759	1.5
165.18106	0.4
167.13062	0.4
182.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47954	37.9
59.40730	35.4
66.45422	47.3
78.32469	39.5
82.02331	42.0
116.34660	51.4
142.03548	100.0
160.04546	49.2
166.65469	56.3
182.94576	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01877	1.2
57.03436	4.4
58.06612	0.9
61.02919	3.4
69.03422	3.2
71.37157	0.7
72.32897	0.6
73.02926	10.4
73.03320	1.0
77.93568	0.7
81.03429	2.5
85.02901	5.8
88.80136	0.6
97.02895	5.2
100.02467	0.6
101.00880	15.4
102.02391	1.3
103.03977	0.7
104.05514	0.6
108.02358	0.8
109.02950	1.4
111.02921	3.4
113.00916	0.8
114.02422	1.2
115.03160	1.2
118.03543	1.5
119.01917	51.2
123.02919	2.5
124.02459	9.4
127.03954	1.5
129.02910	1.2
131.01894	4.1
132.03406	1.4
136.04584	1.3
136.50093	0.7
137.02953	12.9
137.07915	0.8
138.03410	2.7
141.03996	0.9
142.03499	100.0
143.01892	6.6
144.03435	2.6
145.03459	3.8
149.02927	0.8
153.03955	0.8
155.01874	4.4
157.03477	1.2
160.04546	46.9
161.02931	7.8
165.05144	1.2
167.01909	2.8
169.03497	1.0
173.02939	8.4
173.55583	0.7
175.04510	1.2
178.05623	8.1
183.06213	1.1
183.11296	1.0
185.02930	7.2
187.04541	0.9
197.02890	1.0
203.04012	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01877	1.2
57.03436	4.4
58.06612	0.9
61.02919	3.4
69.03422	3.2
71.37157	0.7
72.32897	0.6
73.02926	10.4
73.03320	1.0
77.93568	0.7
81.03429	2.5
85.02901	5.8
88.80136	0.6
97.02895	5.2
100.02467	0.6
101.00880	15.4
102.02391	1.3
103.03977	0.7
104.05514	0.6
108.02358	0.8
109.02950	1.4
111.02921	3.4
113.00916	0.8
114.02422	1.2
115.03160	1.2
118.03543	1.5
119.01917	51.2
123.02919	2.5
124.02459	9.4
127.03954	1.5
129.02910	1.2
131.01894	4.1
132.03406	1.4
136.04584	1.3
136.50093	0.7
137.02953	12.9
137.07915	0.8
138.03410	2.7
141.03996	0.9
142.03499	100.0
143.01892	6.6
144.03435	2.6
145.03459	3.8
149.02927	0.8
153.03955	0.8
155.01874	4.4
157.03477	1.2
160.04546	46.9
161.02931	7.8
165.05144	1.2
167.01909	2.8
169.03497	1.0
173.02939	8.4
173.55583	0.7
175.04510	1.2
178.05623	8.1
183.06213	1.1
183.11296	1.0
185.02930	7.2
187.04541	0.9
197.02890	1.0
203.04012	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
53.03951	4.0
53.84378	0.5
55.01875	1.0
65.03950	1.1
67.05508	5.7
70.06610	0.6
70.30872	0.5
72.08158	2.3
77.03915	1.1
81.03432	0.6
81.07058	0.9
91.05464	0.8
94.67440	0.7
95.04964	94.5
95.08569	0.8
98.98467	9.1
101.00860	1.0
105.03410	1.1
105.04514	8.4
108.02106	1.1
109.06531	2.3
111.04442	0.9
118.96737	4.3
119.01910	7.8
121.03954	0.6
123.04424	100.0
125.02358	0.7
127.01561	1.3
137.03030	0.7
137.05983	3.2
137.07904	1.1
138.05511	0.8
138.09195	0.6
140.04680	33.4
141.05542	1.1
141.69409	0.6
142.03488	11.1
155.07019	26.6
160.04544	4.7
165.05385	1.1
165.10307	1.0
166.05864	2.3
166.08543	0.6
183.06546	12.4
183.09134	17.4
183.11269	2.7
183.15091	0.7
203.31635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
53.84378	0.5
55.01875	1.0
65.03950	1.1
67.05508	5.7
70.06610	0.6
70.30872	0.5
72.08158	2.3
77.03915	1.1
81.03432	0.6
81.07058	0.9
91.05464	0.8
94.67440	0.7
95.04964	94.5
95.08569	0.8
98.98467	9.1
101.00860	1.0
105.03410	1.1
105.04514	8.4
108.02106	1.1
109.06531	2.3
111.04442	0.9
118.96737	4.3
119.01910	7.8
121.03954	0.6
123.04424	100.0
125.02358	0.7
127.01561	1.3
137.03030	0.7
137.05983	3.2
137.07904	1.1
138.05511	0.8
138.09195	0.6
140.04680	33.4
141.05542	1.1
141.69409	0.6
142.03488	11.1
155.07019	26.6
160.04544	4.7
165.05385	1.1
165.10307	1.0
166.05864	2.3
166.08543	0.6
183.06546	12.4
183.09134	17.4
183.11269	2.7
183.15091	0.7
203.31635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0779
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
95.04964	1.0
98.98467	100.0
107.81837	0.1
116.99511	2.2
118.96751	0.5
123.04410	0.8
127.01564	24.1
140.04674	0.2
142.03448	0.2
155.04675	6.6
155.06950	0.2
157.23909	0.1
160.04501	0.2
168.04129	0.2
183.06473	0.3
183.07867	1.0
183.11627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06042	0.6
58.06593	0.8
67.05517	0.7
70.02984	0.7
72.04522	1.2
86.06055	0.9
87.04473	4.4
88.04826	2.8
90.08881	0.8
91.05486	4.6
92.05817	13.2
94.06566	1.6
95.04958	9.6
96.04486	3.6
96.05296	3.7
97.02917	1.1
97.04815	3.3
98.98470	7.8
99.04408	1.9
101.00866	3.3
112.03948	1.1
114.04581	0.7
119.01913	19.9
119.04937	5.0
120.04576	1.1
120.05270	31.7
121.06487	1.0
121.20894	0.7
122.06815	0.9
123.04424	19.3
124.03847	1.0
124.04759	40.9
136.07582	13.8
137.02968	4.9
137.07933	100.0
138.05482	5.4
140.07114	0.9
141.92784	0.8
142.03494	36.0
146.06812	1.5
148.04761	21.8
148.07382	3.6
160.04558	15.5
165.05351	3.5
165.06654	3.3
166.05869	35.5
166.08220	7.7
178.05542	1.5
183.05061	1.0
183.06352	2.1
183.07483	6.0
183.08626	2.5
183.11134	11.7
196.65781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
50.01347	2.2
55.05516	5.7
57.07078	21.0
57.40132	2.0
57.66895	2.5
59.93114	3.6
63.73172	2.4
67.05512	16.5
68.90980	2.2
69.03438	10.9
69.07078	22.7
71.04993	13.9
81.07066	56.5
85.06551	18.5
88.75586	2.8
91.76208	2.3
93.07020	6.0
94.49225	2.4
95.04978	28.2
95.08611	83.5
95.52174	2.4
95.83139	2.4
98.98464	44.8
99.04479	3.2
105.03391	20.5
107.08611	5.8
109.06500	21.0
109.10171	31.6
110.59866	2.1
111.08073	2.9
113.06010	19.7
118.96758	27.7
119.01966	2.4
119.08603	4.0
121.10143	3.4
123.04421	14.1
123.08075	38.6
123.11709	15.4
127.01573	6.1
127.07504	6.2
137.13261	100.0
137.64685	2.7
140.04663	5.2
141.07001	4.0
147.11719	2.8
155.08545	12.3
165.12767	58.7
168.09393	12.1
183.06586	5.6
183.08026	3.2
183.11687	54.1
183.13814	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.05508	21.1
56.83405	4.1
57.03444	6.7
57.07072	17.0
61.44891	3.5
67.05503	18.0
68.99795	10.3
69.07069	21.7
71.01350	83.9
71.04966	4.8
80.62806	4.4
81.03421	6.7
81.07079	30.0
95.04977	25.0
95.08622	23.2
97.10178	5.2
98.98476	52.0
99.04449	18.0
105.07036	4.9
113.05992	31.6
118.96754	83.7
121.10166	5.7
123.04421	10.4
125.07084	4.9
127.01563	22.0
127.07545	8.8
141.98340	23.9
147.11713	7.2
155.08530	9.6
165.12666	4.4
166.46278	4.1
168.09335	9.1
183.06512	5.0
183.11699	55.0
183.13788	100.0
186.46382	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Nordavanone
Peak:m/z	Relative Intensity
54.52253	2.9
55.05502	6.5
56.92669	3.1
57.07079	5.5
59.06141	4.6
59.93114	5.7
66.49486	3.1
67.05521	6.4
68.99789	5.5
69.07066	4.7
70.72427	2.8
71.01357	41.3
72.61079	3.3
73.76512	3.2
81.07057	13.1
83.04967	3.6
95.04964	3.6
95.08614	13.5
97.07648	3.7
98.98482	24.6
99.04470	6.6
102.90639	3.3
109.07675	4.9
111.07954	3.8
112.08737	7.2
113.06024	16.2
118.96758	100.0
124.08722	4.6
125.07131	13.2
127.01620	4.6
127.07558	6.0
131.42004	3.9
141.98367	21.4
160.04535	3.2
165.11494	3.9
183.12329	19.1
183.13824	68.4
199.03842	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95245	0.7
54.03480	4.1
57.03431	1.2
58.06609	1.5
60.08171	17.5
63.05196	0.7
69.03443	0.9
70.63463	0.7
73.02915	1.7
77.35997	0.6
85.02890	1.8
86.06065	4.9
86.09707	18.5
95.06105	1.3
97.02844	1.1
98.04633	0.7
98.06020	0.9
98.98487	1.4
99.04466	4.8
100.02481	1.2
101.00877	23.1
102.00998	1.6
103.02423	3.8
104.10748	16.9
107.06096	0.9
110.07134	2.8
112.03976	0.9
115.02438	3.1
119.01920	100.0
120.02000	13.3
120.03286	1.2
120.08088	1.6
121.03503	1.2
124.99993	16.9
125.02575	2.5
125.03465	18.2
131.01903	1.2
133.03479	2.8
135.05029	0.9
135.67889	0.8
137.02962	29.3
138.03069	3.6
138.04323	1.1
138.05473	1.4
138.10222	5.4
140.03423	9.5
142.03510	23.5
142.04733	1.1
142.04967	0.8
143.01921	20.2
143.03632	30.5
143.04828	1.4
147.01416	7.4
147.03166	3.2
148.03943	1.2
160.04573	10.4
160.53143	0.8
161.01469	1.4
161.02953	41.3
161.04643	13.6
161.06024	1.0
161.06631	0.9
163.02701	1.1
166.08548	1.6
166.09821	1.3
167.03406	1.6
170.02972	12.1
175.02733	1.1
175.04472	0.7
179.04019	11.7
179.05571	1.6
184.04547	6.0
184.06136	8.9
184.07547	23.4
184.09453	6.9
184.11017	2.4
184.13298	1.0
187.02667	1.0
202.05592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96524	0.2
55.01902	0.3
64.25617	0.2
64.71445	0.2
65.03977	0.5
65.92686	0.3
67.05547	1.4
69.03438	3.4
70.06601	0.4
80.94991	2.7
84.08206	0.2
86.06072	2.0
86.09721	1.7
87.04511	0.5
93.07092	1.1
95.04967	3.6
96.05345	0.4
96.08162	0.5
98.02454	1.6
98.06129	0.3
102.09196	0.3
108.47197	0.2
110.02409	11.2
110.06071	0.9
111.08138	0.4
112.07633	0.4
113.06046	0.9
114.59761	0.2
119.01964	0.3
120.04501	0.3
121.97587	4.0
122.06046	0.4
123.04428	0.3
124.04798	1.1
124.07596	16.9
124.93933	1.5
125.00024	0.6
133.11336	0.2
138.05510	20.4
138.09160	0.8
139.07567	2.2
141.05023	0.3
142.05005	1.1
142.08643	1.7
142.94905	1.8
143.03564	0.3
148.03940	43.1
156.10225	0.3
160.96002	2.4
165.96527	3.0
166.04996	100.0
166.08621	2.5
167.07025	0.5
171.42505	0.2
179.04066	0.2
183.97568	2.4
184.06035	15.4
184.07414	1.3
184.09676	10.9
197.47404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
51.96524	0.2
55.01902	0.3
64.25617	0.2
64.71445	0.2
65.03977	0.5
65.92686	0.3
67.05547	1.4
69.03438	3.4
70.06601	0.4
80.94991	2.7
84.08206	0.2
86.06072	2.0
86.09721	1.7
87.04511	0.5
93.07092	1.1
95.04967	3.6
96.05345	0.4
96.08162	0.5
98.02454	1.6
98.06129	0.3
102.09196	0.3
108.47197	0.2
110.02409	11.2
110.06071	0.9
111.08138	0.4
112.07633	0.4
113.06046	0.9
114.59761	0.2
119.01964	0.3
120.04501	0.3
121.97587	4.0
122.06046	0.4
123.04428	0.3
124.04798	1.1
124.07596	16.9
124.93933	1.5
125.00024	0.6
133.11336	0.2
138.05510	20.4
138.09160	0.8
139.07567	2.2
141.05023	0.3
142.05005	1.1
142.08643	1.7
142.94905	1.8
143.03564	0.3
148.03940	43.1
156.10225	0.3
160.96002	2.4
165.96527	3.0
166.04996	100.0
166.08621	2.5
167.07025	0.5
171.42505	0.2
179.04066	0.2
183.97568	2.4
184.06035	15.4
184.07414	1.3
184.09676	10.9
197.47404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05506	2.2
57.03440	0.5
57.07072	1.2
60.08170	14.5
60.95850	2.3
67.05492	0.7
69.07063	6.7
71.07360	2.6
73.92784	0.6
77.13529	0.5
78.22662	0.5
80.00442	0.5
81.07052	2.2
83.08627	6.3
86.06059	2.1
86.09707	64.5
93.07038	1.1
94.84366	0.5
95.08619	2.1
97.06525	0.7
97.10136	1.0
98.98475	6.3
100.07597	2.6
104.10770	1.3
107.07147	0.6
107.08523	0.8
109.10173	2.0
111.08047	1.2
114.09148	1.2
118.96743	2.2
121.10165	0.6
124.99998	51.0
125.09575	0.7
125.13254	0.7
127.95648	0.5
128.10744	0.8
135.55542	0.5
142.15929	0.7
142.27870	0.5
142.93225	0.5
143.03423	0.9
149.13257	5.6
167.14278	3.5
184.07335	100.0
184.09952	4.8
184.16913	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.71731	0.9
60.08173	11.8
60.95833	1.1
69.07072	1.2
71.07372	2.0
76.62741	0.8
78.37930	0.9
86.09706	62.8
98.98442	5.1
104.10738	1.6
125.00005	49.9
184.07338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.51290	1.2
51.54224	1.2
51.68333	1.4
55.58843	1.3
56.21207	1.7
60.08175	13.9
60.89000	1.2
60.95861	1.3
71.60102	1.3
83.08661	1.7
86.09712	66.8
92.12170	1.4
98.98461	2.6
114.13631	1.4
122.71371	1.3
124.99998	47.7
130.08049	1.4
143.61200	1.7
149.13258	1.8
161.04877	1.9
184.07346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	13.5
60.95841	7.4
71.07380	2.4
83.05385	1.8
86.09703	60.9
87.74741	1.8
98.98447	2.4
124.99990	51.7
143.03387	3.0
159.46242	2.6
162.28172	2.2
184.05670	4.5
184.07323	100.0
184.09848	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05515	3.2
57.07073	2.5
59.06124	1.6
60.08184	11.9
60.95847	5.9
69.07066	16.4
71.07387	1.6
72.42170	1.2
81.07069	3.3
82.06541	1.5
83.06116	2.2
83.08633	13.0
86.06066	7.1
86.09714	69.2
93.07045	1.5
95.08605	1.3
97.06528	2.4
97.10162	2.5
98.98460	8.0
100.07625	3.6
104.10753	2.2
107.08601	2.9
108.95849	1.7
109.07674	1.8
109.10131	2.1
111.08081	6.3
112.72463	1.3
114.09117	2.8
118.96741	6.8
119.96817	3.5
121.10128	3.1
124.08702	2.0
125.00001	53.3
125.07069	1.8
143.03445	3.0
149.13255	13.9
166.15987	1.5
167.14290	5.6
183.15173	1.6
184.07346	100.0
184.09764	22.6
184.16957	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63689	0.9
58.06612	1.2
59.38488	0.8
60.08166	11.9
60.95855	1.0
62.54654	0.8
68.95005	0.8
71.07376	2.2
71.79443	1.0
84.01104	0.8
86.09705	66.0
89.28110	0.9
95.27488	1.0
98.98450	1.9
104.10699	1.4
124.99998	48.5
146.48296	1.2
177.24876	1.0
184.07333	100.0
188.55756	1.0
202.87639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.88435	0.7
53.62355	0.5
55.84594	0.6
58.06614	0.8
58.50520	0.6
58.90206	0.8
59.82582	0.6
60.08176	13.2
71.07382	3.2
86.06065	2.9
86.09709	71.2
86.78983	0.8
96.23313	0.7
98.98490	3.7
99.04468	1.1
104.10748	19.2
110.07188	1.0
112.03989	4.3
119.01950	3.3
124.99998	61.8
138.05540	1.5
138.45670	0.8
140.03429	18.9
161.02997	2.7
166.08698	1.3
167.03403	1.4
182.00342	0.6
184.07402	100.0
184.09889	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03960	1.8
55.05529	0.5
56.66541	0.4
60.50167	0.4
69.03447	0.5
80.95000	0.5
81.03426	3.1
86.02415	0.5
86.06068	100.0
87.04470	0.4
90.43479	0.5
95.05025	0.6
98.06046	5.3
99.04456	61.1
108.82988	0.5
119.01871	0.9
136.84584	0.6
138.05486	0.8
161.01276	0.6
166.08652	2.5
184.06189	0.8
184.09688	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0966
Annotation	Levonordefrin
Peak:m/z	Relative Intensity
60.08304	0.4
61.90986	0.4
65.03922	0.4
66.91489	0.4
70.06582	0.8
71.05260	0.4
74.22993	0.4
79.05509	0.6
80.05035	0.4
81.07047	0.7
82.02961	0.5
84.86381	0.4
86.06048	0.5
93.07032	1.1
94.10405	0.5
95.08603	2.1
96.04478	1.1
96.08140	3.8
103.81750	0.5
110.06060	6.5
110.09657	1.0
111.16206	0.5
120.08186	0.4
121.06496	2.1
122.09669	2.6
123.08064	2.0
124.07590	100.0
138.09148	25.8
149.05916	1.6
149.77092	0.5
156.10274	0.7
166.08623	21.6
167.07024	0.9
184.09697	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.8
55.05529	0.5
56.66541	0.4
60.50167	0.4
69.03447	0.5
80.95000	0.5
81.03426	3.1
86.02415	0.5
86.06068	100.0
87.04470	0.4
90.43479	0.5
95.05025	0.6
98.06046	5.3
99.04456	61.1
108.82988	0.5
119.01871	0.9
136.84584	0.6
138.05486	0.8
161.01276	0.6
166.08652	2.5
184.06189	0.8
184.09688	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
51.62220	0.8
55.01893	1.1
55.77683	0.8
57.07076	2.2
57.57364	0.8
58.26760	0.8
67.05500	4.7
68.96785	0.9
69.03441	1.3
69.07097	1.5
70.06575	1.1
72.04498	1.3
80.94965	5.0
81.07021	0.9
85.06541	1.4
86.06064	4.2
86.09711	5.3
87.04462	1.3
88.40974	0.9
95.04971	21.3
96.05309	6.2
96.08121	5.0
100.84399	1.3
101.67105	0.9
104.10684	1.0
110.02370	4.0
112.07615	1.2
113.06006	5.7
119.01914	1.5
121.97555	6.0
123.04424	1.4
124.04759	6.5
124.07592	100.0
124.93915	1.5
125.00010	1.0
125.06071	0.9
138.05501	9.9
139.07552	1.5
142.05057	1.1
142.08672	10.6
142.29140	1.0
142.94942	1.9
148.03871	1.3
156.10095	0.9
160.96011	2.2
165.96535	2.0
166.04977	9.6
166.08629	14.0
167.06967	1.5
183.97626	4.0
184.06035	1.3
184.09700	66.7
184.13240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
51.62220	0.8
55.01893	1.1
55.77683	0.8
57.07076	2.2
57.57364	0.8
58.26760	0.8
67.05500	4.7
68.96785	0.9
69.03441	1.3
69.07097	1.5
70.06575	1.1
72.04498	1.3
80.94965	5.0
81.07021	0.9
85.06541	1.4
86.06064	4.2
86.09711	5.3
87.04462	1.3
88.40974	0.9
95.04971	21.3
96.05309	6.2
96.08121	5.0
100.84399	1.3
101.67105	0.9
104.10684	1.0
110.02370	4.0
112.07615	1.2
113.06006	5.7
119.01914	1.5
121.97555	6.0
123.04424	1.4
124.04759	6.5
124.07592	100.0
124.93915	1.5
125.00010	1.0
125.06071	0.9
138.05501	9.9
139.07552	1.5
142.05057	1.1
142.08672	10.6
142.29140	1.0
142.94942	1.9
148.03871	1.3
156.10095	0.9
160.96011	2.2
165.96535	2.0
166.04977	9.6
166.08629	14.0
167.06967	1.5
183.97626	4.0
184.06035	1.3
184.09700	66.7
184.13240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60839	1.9
55.05519	25.6
57.03424	3.4
57.07079	24.3
59.16957	2.0
60.95848	5.2
62.82466	2.7
67.05498	11.5
67.41737	2.1
69.07071	97.7
69.43475	2.3
71.04997	6.2
71.08624	13.3
72.04520	2.8
72.08156	6.1
77.29749	2.2
78.04982	2.2
79.05519	5.0
81.06641	3.3
81.07043	25.9
83.08624	100.0
84.08128	2.7
85.06552	2.7
85.10195	3.1
86.06066	18.0
86.09702	5.0
93.07048	31.9
95.08622	20.2
97.06527	31.0
97.10154	17.1
100.07624	37.5
107.08606	34.6
109.10172	18.3
111.08101	29.9
114.09157	22.6
118.96764	11.0
119.96844	4.2
120.80390	2.7
121.10139	29.1
123.11658	3.6
124.08682	2.7
125.09603	10.7
125.13262	12.8
128.10681	12.2
138.12819	4.3
142.15909	9.8
144.34596	2.5
149.13263	77.2
167.14287	55.7
184.09862	19.5
184.16956	92.6
198.66374	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23515	3.5
55.01875	4.0
55.05507	25.6
57.07072	24.8
58.05440	3.6
60.08157	6.1
60.95857	4.1
67.05504	6.8
69.07069	100.0
71.08619	7.9
72.35149	3.5
79.04470	3.7
81.07048	25.7
83.04958	4.8
83.08626	83.7
86.06059	23.1
86.09688	46.8
93.07049	26.5
94.88499	4.4
95.08582	16.5
97.06539	27.2
97.10162	16.5
98.98462	5.6
100.07593	39.4
107.08574	27.5
109.10163	19.1
111.08068	26.5
111.58925	4.4
114.09132	20.5
119.96822	6.7
121.10152	26.8
124.99997	33.3
125.13280	22.1
128.10689	5.4
142.15865	6.0
149.13242	84.1
167.14278	46.2
169.31470	4.8
170.89670	4.5
184.07359	56.9
184.09943	23.7
184.16954	67.7
191.76123	4.8
204.02193	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05593	8.3
51.05432	7.3
55.05513	22.9
58.41280	9.3
60.95848	17.1
67.05495	12.8
69.07067	100.0
78.29017	9.1
81.07039	11.1
83.08618	81.6
86.06055	11.2
93.07038	37.5
95.08598	10.8
97.06517	42.2
97.10168	16.5
98.98462	46.9
100.07598	20.2
107.08588	21.1
109.10145	12.7
111.08078	17.7
114.09152	13.2
121.10136	50.2
138.12764	9.9
139.11206	11.5
142.15811	9.4
149.13246	87.7
158.47090	9.9
162.91907	8.9
167.14334	47.0
184.09932	16.7
184.13330	20.3
184.16968	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05521	26.7
57.03453	2.8
57.07085	22.4
60.95863	38.2
64.37557	2.6
67.05503	12.5
69.07072	100.0
71.04989	4.3
71.08625	10.8
72.04517	5.1
72.08163	4.3
79.05494	5.4
81.07059	23.4
83.04983	9.9
83.08626	95.5
85.06535	3.9
85.10167	3.7
86.06069	28.6
93.07048	27.3
95.08595	13.1
97.06538	27.3
97.10159	24.7
98.98467	3.6
100.07623	31.1
101.95037	9.8
101.98473	4.9
107.08595	27.4
109.10166	20.2
111.08102	26.2
114.09161	24.2
119.96867	3.1
119.99556	2.8
121.10136	31.7
123.11730	9.5
125.09642	5.7
125.13283	14.3
128.10719	13.5
138.09073	2.7
139.11227	3.0
142.15939	11.5
143.03494	19.7
149.13274	90.6
167.14310	46.5
182.00650	2.6
184.09886	33.6
184.13365	9.7
184.16972	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08174	18.4
67.10019	13.5
75.67593	14.6
84.99607	15.1
102.21993	17.1
105.15514	15.2
119.01902	23.6
131.01944	19.8
149.07059	18.1
161.41739	17.8
185.06474	16.0
185.12843	100.0
193.41463	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	4-Hydroxy-3,5-dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
55.01880	0.5
63.61198	0.3
68.61027	0.3
71.25988	0.3
74.14136	0.3
78.04686	0.5
78.97672	0.3
79.05485	2.7
81.07026	0.3
81.95579	0.3
86.09673	0.3
91.05466	4.3
93.07041	4.4
95.04954	2.5
96.62563	0.3
97.02877	0.5
98.06058	0.4
99.04466	0.3
103.05441	0.6
105.04496	0.5
106.04175	0.4
107.04957	26.5
109.06448	0.4
111.08061	0.4
120.61357	0.3
121.00719	0.3
121.06497	11.3
123.04441	0.4
135.04413	36.9
139.01807	0.3
139.07507	0.7
144.03276	0.4
149.05974	1.7
152.04678	17.0
153.05739	1.7
161.06557	0.7
167.07024	100.0
185.05907	0.6
185.08032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.28142	1.7
52.31302	1.7
55.05505	11.1
56.03090	1.7
57.03445	96.8
60.25194	1.9
67.05509	23.0
69.07071	9.0
71.01361	28.2
71.03046	1.9
71.04982	12.5
75.77952	1.9
79.05499	59.8
81.03419	8.6
81.07068	17.5
83.04982	12.2
83.08623	27.3
85.02927	1.9
86.16701	2.2
91.05495	4.3
93.07044	86.7
95.08613	22.7
97.06552	2.5
99.08067	2.3
102.95465	2.0
102.96875	10.7
105.07014	5.0
107.08590	10.4
119.08545	2.6
120.97894	4.3
121.00783	15.1
121.10141	100.0
123.08016	2.4
125.09644	2.9
129.06998	4.9
130.27710	2.4
131.08559	11.3
138.95267	2.1
139.01811	27.9
139.11174	26.6
140.34442	2.2
143.08629	6.9
144.02394	9.7
149.09605	10.7
156.09343	2.3
157.10130	10.5
162.03394	11.2
167.10675	10.0
170.10881	3.7
185.09647	3.9
185.13255	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1323
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.10834	0.8
50.11646	0.7
55.05506	0.8
67.05466	1.2
69.07034	1.3
71.44048	0.8
78.32272	0.8
79.05471	1.2
81.07006	0.8
90.26589	0.9
91.05466	5.1
93.06967	1.3
102.96886	1.2
103.32731	0.9
105.07014	7.6
117.07031	3.3
119.08552	1.4
119.66982	0.8
120.97920	0.9
128.06157	1.1
129.06984	18.6
131.08530	1.6
139.01840	1.6
142.07750	3.8
143.08557	33.5
144.09319	0.9
147.47212	0.9
156.09288	1.0
157.10123	15.2
165.80087	0.8
170.10875	3.4
185.09691	10.1
185.13243	100.0
203.75690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1124
Annotation	Ecgonine
Peak:m/z	Relative Intensity
52.21447	0.5
53.03977	0.7
53.89713	0.5
55.05521	0.8
55.51118	0.6
67.05500	0.7
68.05013	3.4
70.06590	2.8
71.04996	1.5
74.45210	0.7
77.67395	0.6
79.85788	0.5
80.05031	1.0
81.03415	1.5
82.06570	0.8
84.04510	2.3
85.02887	2.9
88.07638	34.5
90.88971	0.6
92.75461	0.5
94.06580	1.0
95.08592	3.3
96.04405	0.8
96.08140	16.2
98.06051	2.6
99.04462	18.7
106.08442	0.6
112.07607	1.2
113.06027	0.6
114.05515	3.0
121.00786	1.1
121.01623	0.8
122.06011	4.8
122.09669	8.5
126.05524	5.6
128.02264	0.6
130.08624	1.2
136.26689	0.7
138.05501	3.7
138.09134	6.1
139.01825	1.1
139.07533	5.6
140.07074	24.3
140.10715	1.5
142.05037	7.4
145.03490	1.3
150.05499	0.8
150.09125	4.0
162.06163	0.9
163.01801	9.7
163.04437	0.6
168.05165	1.3
168.06535	4.9
168.10199	100.0
181.02893	10.3
186.06082	6.5
186.07626	22.9
186.11250	89.9
204.07098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84607	0.4
67.05511	0.6
67.92500	0.8
68.76517	0.5
70.06595	38.5
71.04979	0.8
75.59554	0.5
82.94855	4.9
85.02905	1.0
85.06540	1.0
85.25379	0.6
87.48692	0.6
94.06564	1.5
99.04449	0.7
101.46580	0.6
102.05538	2.8
111.70766	0.6
112.07590	2.3
112.08749	0.8
117.03348	1.1
121.00780	3.4
122.05988	0.6
123.97462	4.3
126.05504	0.6
126.09094	0.9
126.93790	1.1
127.07565	3.3
127.08688	4.3
137.07114	3.5
138.09180	0.7
139.01851	2.7
140.07043	2.2
140.14333	1.0
144.10202	35.1
144.94794	1.1
145.02853	3.6
154.09749	7.0
155.08221	1.1
158.05992	1.0
162.95851	2.4
163.01819	14.1
167.96422	2.7
168.10185	2.3
169.09702	5.5
181.02892	11.1
185.97549	1.1
186.05473	0.8
186.12395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53421	1.0
55.05521	9.4
59.05003	2.5
60.09543	0.9
62.04823	0.9
66.32710	0.9
67.05511	44.7
69.07067	2.2
70.60634	1.1
71.04984	8.9
79.05489	2.0
81.07063	100.0
83.08621	6.1
85.06088	1.1
85.06554	19.1
91.05476	8.1
91.49700	1.1
93.07071	1.5
95.08585	2.1
97.10181	4.1
105.07021	1.9
107.08612	6.0
109.10154	7.2
121.10152	1.1
121.96639	1.1
123.11687	26.6
132.38409	1.1
133.10123	15.6
151.11211	11.9
162.97742	1.2
169.12180	7.7
186.11238	9.8
186.14958	1.9
187.13277	23.7
193.05042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
57.07068	1.6
59.05000	1.7
67.05511	53.3
69.07072	3.9
70.53731	0.9
71.05003	8.5
79.05497	1.9
79.10132	1.0
81.07063	100.0
83.08627	5.0
85.02946	1.3
85.06544	18.8
87.04450	1.6
91.05489	6.3
95.08614	2.2
96.34445	1.0
97.10172	2.1
98.06071	1.4
99.04462	1.9
105.07052	1.4
107.08586	4.2
107.21791	1.0
109.09514	1.1
109.10167	7.1
122.22779	1.0
123.11704	23.5
126.05499	4.0
133.10141	13.2
140.07097	1.4
151.11188	11.7
169.12218	5.2
186.07649	2.4
186.11188	1.8
186.13593	4.2
186.15067	1.8
187.13297	23.3
191.68532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.7
57.03423	0.8
57.07067	3.4
59.04993	1.1
67.05508	45.7
69.07069	1.6
71.04995	9.5
71.82428	0.7
72.93453	0.6
73.06551	0.9
79.05484	2.9
79.07484	0.6
81.07059	100.0
83.04967	0.7
83.08641	5.2
85.06544	16.7
91.05484	8.9
93.07049	1.2
95.08603	4.0
96.74450	0.6
97.10167	3.3
97.21794	0.8
105.07033	1.1
106.35880	0.7
107.08606	6.2
109.10152	6.9
119.26222	0.6
121.10137	0.9
123.11706	27.2
133.10136	14.5
151.11183	10.3
168.13806	0.8
169.12233	7.6
186.05464	0.8
186.11295	6.6
186.14925	3.7
186.22095	0.8
187.13283	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41792	1.2
55.05521	13.1
59.05018	1.5
61.63670	1.1
63.63247	1.3
63.92667	1.2
67.05515	60.8
69.07075	3.2
71.04990	11.0
79.05515	2.1
81.07063	100.0
83.08624	3.6
85.06551	18.9
91.05496	7.4
95.08624	2.3
105.07036	5.9
107.08572	1.7
109.10146	13.0
111.15414	1.6
112.07597	1.6
123.11720	31.0
126.05527	6.7
133.10127	22.0
151.11208	11.6
153.97144	1.4
163.07918	1.4
169.12241	8.1
186.07654	2.1
186.11301	2.2
186.13576	3.3
186.15022	2.2
187.13295	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11390	1.0
51.53687	0.9
57.07084	11.0
63.06823	1.0
69.07065	1.2
72.41348	1.0
74.06074	5.7
85.10190	2.1
88.07634	20.0
96.12133	1.1
102.09182	14.7
116.10763	2.6
120.75118	1.2
161.60660	1.2
163.01862	1.8
186.11263	5.5
186.18527	100.0
195.82141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18772	0.5
55.05517	0.8
57.07084	27.8
69.07063	1.1
71.05007	0.6
71.08633	12.7
74.06070	6.0
81.07053	3.0
83.08649	0.7
85.10180	6.5
88.07122	1.1
88.07630	24.7
95.08638	0.8
99.04411	0.7
100.07619	0.9
102.09185	14.1
112.49917	0.5
114.05531	0.9
115.14532	0.5
116.10724	5.7
117.03333	0.6
121.00756	0.9
124.99307	0.5
126.05513	1.1
139.01799	2.4
145.02859	1.1
146.48016	0.6
156.93250	0.5
181.02892	2.5
186.05466	0.8
186.07742	1.0
186.11316	5.3
186.18529	100.0
186.22108	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.05514	4.9
57.07085	100.0
67.05508	41.6
69.07080	2.5
71.05003	5.8
71.08635	61.1
79.05499	3.0
81.06616	4.8
81.07065	92.4
85.02915	5.0
85.06551	15.5
85.10167	26.6
91.05491	3.6
95.08617	4.3
99.04448	3.6
101.94112	2.5
109.10160	2.8
114.05543	5.4
121.00771	3.6
121.96655	2.6
123.11708	25.2
126.05525	5.7
133.10138	16.4
139.01811	11.5
140.07066	2.9
151.11201	5.1
163.01820	10.4
169.12166	2.8
181.02878	19.8
186.05403	2.4
186.07579	10.9
186.11238	9.3
186.13536	2.9
186.14992	4.3
186.18610	10.8
186.22171	92.9
187.13324	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91588	2.0
53.98020	2.2
55.05510	4.8
57.07083	100.0
61.09428	2.3
67.05503	16.6
71.04983	2.4
71.08637	70.6
77.54781	2.5
81.07066	34.3
83.08594	2.7
84.33156	2.6
85.02906	4.4
85.06538	5.2
85.10191	30.3
95.08593	2.6
99.04456	3.0
121.00821	3.6
123.11708	11.4
126.05534	6.2
133.10167	3.3
139.01801	4.7
145.02870	3.4
145.04918	3.2
153.90794	2.7
163.01851	3.9
181.02858	10.6
186.07610	5.3
186.11261	23.8
186.22160	84.1
186.23676	4.7
187.13329	4.7
208.23274	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
70.30714	0.5
91.05471	2.8
99.37762	0.5
102.66715	0.4
110.20422	0.5
115.05497	0.8
116.06221	1.9
128.06198	2.8
129.06996	7.3
131.04962	3.5
131.08588	3.5
134.31126	0.5
139.10118	0.5
144.05707	8.5
145.06502	0.7
147.08044	0.8
155.04878	1.2
155.06013	0.7
156.05685	6.1
157.07593	0.6
159.08051	54.9
172.05235	2.6
187.07539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
54.94138	0.2
59.00380	0.2
63.71682	0.2
69.03420	0.2
73.66664	0.2
81.07081	0.8
95.57830	0.2
101.94290	0.2
103.89640	0.2
115.05463	0.6
116.06193	0.3
131.08537	0.5
131.76534	0.2
141.06955	0.2
144.05707	10.4
144.08009	0.3
155.04890	0.3
156.05804	0.2
159.08044	2.0
172.05185	27.8
187.07539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.05492	1.2
67.05499	5.6
69.03418	4.5
69.07062	2.2
79.05503	2.1
81.07061	8.7
88.02197	1.2
91.05490	9.8
93.07069	1.8
95.04939	1.4
99.19822	0.9
103.05466	1.4
105.07032	6.6
107.04949	12.9
107.08593	1.5
115.97493	1.0
117.06995	8.7
119.05003	1.1
119.08585	3.5
119.20695	1.0
123.11704	1.4
129.07076	2.2
131.04909	2.4
131.08565	16.0
133.06494	4.9
134.66994	1.0
141.06984	7.1
143.08571	5.1
145.06493	37.3
145.10130	30.0
159.08029	10.0
159.11696	14.9
169.10107	11.9
172.08893	1.1
172.12463	1.7
187.07564	4.6
187.11185	100.0
187.14803	39.7
201.30548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.123
Annotation	Calligonine
Peak:m/z	Relative Intensity
50.16359	0.3
51.72269	0.2
52.73856	0.3
57.60431	0.3
69.07049	0.5
71.04979	0.3
81.07060	3.9
83.04970	0.3
88.35185	0.3
98.01769	0.4
99.08099	0.4
103.43175	0.3
107.08613	0.4
109.10139	0.7
118.06488	0.5
123.11684	1.3
126.53411	0.3
141.42903	0.3
151.11128	0.4
187.07605	4.2
187.12303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.97519	0.6
55.05516	1.1
57.03449	0.7
57.51605	0.6
58.90714	0.6
61.27301	0.6
67.05502	3.2
67.53555	0.6
69.02268	0.7
69.07037	0.8
79.05492	3.0
81.03432	0.8
81.07066	6.7
88.02238	0.8
91.05465	5.8
93.07053	6.4
94.25590	0.8
95.04970	0.9
95.08603	3.1
105.07037	8.6
107.08598	3.4
117.07006	9.3
119.08567	7.5
129.06920	1.4
131.02925	0.7
131.08565	36.9
133.10094	4.2
143.08588	1.5
145.06487	2.8
145.10120	44.3
159.08044	1.7
159.11674	14.2
169.10011	1.2
171.67261	0.7
172.08809	0.8
172.12495	0.8
184.65497	0.8
185.13217	1.4
187.07506	6.3
187.11205	20.6
187.14813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.13206	0.7
57.07076	4.5
67.05508	4.4
68.05833	0.9
70.33573	0.9
70.43814	0.7
81.07055	6.1
82.07379	1.1
83.08597	0.9
88.02217	1.0
91.05495	1.0
95.08668	1.0
100.13306	0.8
105.07045	4.6
105.53559	1.1
107.08579	1.0
109.10155	1.2
117.07005	4.4
119.08557	7.6
121.11848	0.8
123.57226	1.6
128.06184	1.7
129.07057	1.0
131.08563	10.6
132.57779	10.2
133.10191	1.0
141.58327	7.9
143.08571	1.9
144.09413	2.0
145.10138	100.0
153.09123	0.9
154.07779	1.3
157.10187	4.4
158.10948	1.4
159.11682	16.6
164.02954	1.3
169.10117	4.5
172.08809	3.1
172.12437	9.0
187.07599	4.6
187.11211	19.5
187.14828	87.8
187.22488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.57536	0.7
53.86047	0.7
55.97366	0.7
56.36375	0.6
77.51189	0.7
84.04489	3.4
86.65797	0.7
90.45102	0.7
115.23438	0.7
117.06933	1.1
118.05767	1.3
118.06550	35.1
128.07048	1.2
128.10681	0.8
142.06523	2.9
142.08653	1.0
143.07281	5.4
144.08087	22.1
146.06009	100.0
147.04378	0.9
148.96918	0.8
158.68605	0.8
160.07533	1.4
170.06012	11.1
170.08125	1.1
188.07050	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76023	0.1
53.67374	0.1
64.76672	0.1
69.03593	0.1
91.05485	1.6
96.03406	0.1
115.05415	1.5
117.05791	0.2
117.07006	2.3
118.06544	36.0
132.08069	0.5
142.06529	3.4
143.07315	5.4
144.04451	0.5
144.08093	22.2
145.06499	0.2
146.06013	100.0
146.40750	0.1
155.06018	0.3
160.07567	0.9
167.00319	0.1
170.06007	8.1
188.07066	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.44568	0.5
57.03361	0.5
69.98928	0.5
79.12482	0.5
87.24478	0.5
91.05458	0.6
109.10172	0.5
115.05453	0.8
117.07000	2.3
118.06540	32.2
142.06503	3.2
143.07315	5.7
144.08080	21.1
146.06004	100.0
160.07524	1.0
170.05988	9.2
185.53806	0.7
188.05402	1.1
188.07066	28.4
188.10692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1279
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
53.79938	0.8
55.01878	3.6
55.05515	21.4
57.07078	4.2
58.06597	0.8
58.52539	0.9
66.64007	0.8
67.05505	12.2
67.67999	0.9
69.03431	5.0
69.07069	3.4
72.04512	0.9
73.61807	0.8
79.05503	13.6
81.07060	5.9
82.06565	1.1
83.04982	1.3
83.08133	1.4
83.08627	37.7
86.06055	8.0
93.07044	8.1
97.10172	58.5
97.76449	0.9
100.07642	3.5
100.11272	6.2
107.08602	50.2
109.10164	6.1
117.06973	1.3
124.11232	29.3
125.09628	66.2
135.01666	0.9
135.08057	31.1
142.12276	34.3
152.10712	11.3
153.09099	22.7
170.11755	100.0
171.10179	4.3
188.08241	1.2
189.11237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.128
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
55.01874	3.7
55.05518	50.8
57.07082	3.4
67.05499	7.2
69.03419	2.7
69.07059	10.9
79.05494	7.3
81.07056	6.1
83.04961	2.3
83.08627	40.6
86.06056	7.8
97.10170	100.0
100.07597	2.6
100.11247	3.6
107.08612	14.2
114.02996	2.5
119.95467	1.4
125.09627	68.3
129.08424	1.4
131.75583	1.7
142.12265	17.3
167.71411	1.5
188.07034	2.7
188.09200	2.7
188.12822	3.8
189.11229	28.9
193.74352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
51.39126	0.7
55.01872	1.9
55.05521	15.0
56.37102	0.7
57.07075	2.1
60.31531	1.0
61.77750	0.8
67.05511	10.4
69.03427	4.0
69.07069	3.4
79.05502	12.9
81.07054	6.1
82.42786	1.0
83.08625	28.2
86.06069	5.2
91.05500	1.2
93.07044	6.8
97.10172	47.4
100.07590	1.2
100.11253	4.6
107.08601	46.7
109.10166	5.5
111.08083	1.3
112.90755	1.0
124.11224	20.9
125.09631	54.9
128.07079	1.0
135.08061	26.6
142.12285	27.9
152.10713	13.0
153.09116	18.5
168.54585	1.0
170.11755	100.0
171.10159	4.8
180.33879	0.9
187.46252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Bullatenone
Peak:m/z	Relative Intensity
58.31820	0.4
69.85746	0.5
70.76768	0.5
105.07061	0.8
116.74387	0.6
121.40847	0.5
128.06226	4.5
129.07001	23.6
129.07962	0.8
130.47949	0.6
131.08557	3.8
133.06467	0.6
133.10158	0.8
143.08598	0.8
145.06471	0.5
146.07214	1.9
157.06480	13.3
158.07254	6.4
160.60794	0.6
161.05930	1.1
161.08371	1.8
161.09644	3.8
174.06760	43.8
189.09105	100.0
200.06531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Bullatenone
Peak:m/z	Relative Intensity
66.10786	0.6
72.54810	0.6
78.10656	0.6
78.31789	0.6
91.05477	9.2
105.07030	3.6
107.04928	2.7
107.47652	0.8
115.05416	0.9
116.06147	0.6
119.04933	3.5
121.06478	3.6
128.06201	2.8
129.06999	16.3
130.07733	0.9
131.04948	1.3
131.08568	4.4
133.06509	3.1
133.10112	1.6
146.07265	8.1
147.07997	0.8
148.05182	6.1
157.06461	9.6
159.08043	1.5
161.05968	47.1
161.09598	52.1
171.08118	0.9
171.11653	0.7
174.06769	16.2
189.05676	6.0
189.07188	4.0
189.09100	100.0
189.12640	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
54.80943	0.7
55.01869	4.4
55.05516	45.8
57.03431	1.5
59.04717	0.7
59.04994	1.6
67.05507	14.7
69.03438	8.4
69.07063	8.4
69.94289	0.8
78.07063	0.8
79.05489	11.9
81.07052	15.5
83.04986	4.3
83.08128	1.7
83.08618	42.0
85.06553	1.1
91.05463	8.2
93.07039	8.3
95.04926	0.9
95.08591	5.0
97.10165	100.0
101.09635	1.5
105.07005	6.4
107.08585	25.7
109.10162	1.3
111.08154	1.5
117.07013	1.7
119.08597	3.7
121.10134	3.6
125.09622	77.6
129.06987	4.9
131.08511	1.4
133.06493	1.5
133.10115	5.7
135.08080	5.9
143.08517	1.8
143.10667	1.5
145.10121	3.5
147.08026	7.1
147.11676	3.3
153.09087	1.6
161.09608	5.8
161.13251	3.3
171.10152	3.3
171.11679	6.0
189.05405	1.2
189.09125	11.5
189.11176	26.0
189.12747	30.3
189.14424	1.8
189.16344	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1119
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.16940	1.0
55.01878	2.5
55.05519	40.8
57.09643	1.0
59.04995	1.7
61.54232	1.2
67.05513	11.0
69.03424	8.0
69.07065	7.7
79.05501	11.0
81.07062	16.2
83.04971	3.0
83.08624	37.5
91.05503	9.2
93.07063	11.1
95.08609	6.2
97.10172	100.0
99.03971	1.3
105.07017	10.5
107.08591	26.9
109.10115	1.6
117.07014	2.0
119.08556	9.5
121.10185	1.9
121.43809	1.3
125.09627	66.6
131.08534	5.1
133.06439	2.3
133.10149	11.8
135.08070	5.4
143.08582	7.0
143.10715	2.0
145.10150	3.0
147.08047	6.4
147.11705	10.9
153.09114	1.3
156.09291	1.6
161.09645	6.2
161.13243	2.7
171.08058	1.7
171.10272	2.6
171.11711	8.4
173.62633	1.5
189.05467	1.4
189.09129	26.5
189.11194	23.4
189.12752	36.9
189.16431	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1233
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
68.67632	0.4
72.08155	1.7
74.72746	0.4
84.04517	1.0
84.08163	0.5
86.09711	100.0
91.05463	0.4
116.10744	0.4
126.05482	0.4
128.29128	0.5
130.05006	1.6
133.06496	0.8
143.08981	0.5
160.21033	0.5
161.05966	8.7
161.07147	0.6
171.08527	0.6
172.00697	0.7
189.05423	4.7
189.09056	0.8
189.12447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01908	1.8
61.86903	2.2
69.03435	4.8
72.86438	2.3
81.03414	2.5
81.07056	2.4
86.09696	16.9
91.05473	4.3
99.04456	35.3
105.07037	14.2
115.05434	4.4
119.08595	16.5
128.06267	3.5
129.07014	3.7
131.08568	3.3
132.10208	3.9
133.06519	8.7
133.10109	4.1
136.17050	2.9
141.07007	3.1
143.04927	5.1
143.08565	12.1
143.11818	8.2
145.10156	15.0
147.08018	3.6
147.11641	15.1
156.09357	27.9
157.06470	2.8
159.11705	13.1
161.05939	16.6
161.09622	5.0
171.04395	8.3
171.11676	55.7
174.06767	8.8
174.10365	3.7
179.28732	2.3
189.05431	21.2
189.07181	4.1
189.09033	34.0
189.12723	100.0
189.16301	2.7
205.34923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25600	1.0
60.08173	34.1
70.06597	25.6
74.07211	18.0
81.13364	1.5
84.08151	100.0
85.06587	1.4
97.87050	1.4
104.33147	1.2
110.59518	1.1
113.17440	1.2
116.07095	20.8
118.02084	1.3
130.08647	65.2
144.11333	6.2
144.13785	4.5
158.09248	3.0
161.84970	1.3
171.06120	1.4
172.10838	2.4
189.13484	19.5
189.15990	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.05513	4.9
55.75421	0.7
59.67560	0.5
60.37547	0.6
64.59341	0.6
67.05511	10.8
67.83083	0.7
69.03418	0.9
69.07050	2.7
70.60276	0.6
75.31871	0.6
79.05502	14.6
81.03434	0.8
81.07073	14.4
81.50748	0.6
83.08624	1.7
86.78114	0.6
91.05486	18.7
93.07052	16.5
95.04974	0.9
95.08609	22.3
95.46664	0.8
97.10178	6.2
105.07031	12.4
107.04925	5.1
107.08604	27.8
107.09341	1.0
109.02895	3.8
109.10149	6.9
117.07009	3.1
119.08580	15.4
121.10139	29.2
121.11008	1.1
123.04417	1.8
124.73789	0.8
125.09625	3.1
128.06212	1.6
129.07008	3.7
131.08508	1.1
133.06473	3.4
133.10136	21.1
135.11746	1.5
143.08542	7.4
145.10124	4.4
147.04498	0.9
147.08035	5.7
147.11697	16.5
156.09311	0.9
159.11601	0.9
161.05965	3.1
161.09589	10.3
161.13264	5.3
171.08105	5.4
171.11678	4.2
174.10284	0.9
189.05399	0.9
189.09102	20.2
189.12753	26.3
189.16380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.21946	0.8
51.74948	0.9
51.84501	1.0
52.20773	0.7
54.03962	0.8
55.05516	4.3
55.89706	1.0
58.27756	0.9
67.05511	11.2
67.57591	1.0
69.03429	1.8
69.07063	2.6
79.05495	14.3
79.80928	0.9
81.07052	15.3
83.08617	4.6
91.05473	17.9
93.07040	17.2
95.04971	1.7
95.08606	20.6
97.10157	5.1
104.32170	1.1
105.07041	14.5
107.04944	5.2
107.08591	28.6
109.10149	4.7
117.07022	2.1
119.08559	14.7
121.10137	28.1
125.09624	5.0
129.06993	1.4
131.08582	4.9
133.10120	27.4
135.11705	1.3
138.42967	1.1
143.08565	6.6
145.10143	7.7
147.08061	9.8
147.11679	19.8
156.09314	2.0
159.07993	1.5
161.05988	2.3
161.09616	10.4
161.13261	6.2
171.08043	2.7
171.11711	5.8
189.05507	1.8
189.09129	23.2
189.10893	2.0
189.12743	39.9
189.16379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	1-Nitronaphthalene-5,6-oxide
Peak:m/z	Relative Intensity
53.39914	0.2
82.66469	0.2
102.15424	0.2
132.04445	1.5
142.82242	0.2
149.02350	2.0
160.03941	2.2
172.03947	2.7
190.04987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27554	1.3
52.41838	1.4
54.19556	1.2
58.14882	1.6
62.88229	1.4
64.98716	1.7
72.10626	1.8
77.02732	1.5
81.25587	1.6
91.05447	3.0
94.89884	1.5
96.08290	1.6
102.04689	21.1
104.06267	2.2
105.07043	2.2
109.01099	1.4
115.05406	3.7
116.06224	2.9
117.03367	6.0
119.04951	14.4
130.04140	21.0
131.04904	19.7
132.02061	2.6
132.05711	93.7
133.06459	2.2
144.05679	1.8
147.04413	67.8
147.05592	2.3
149.02322	8.4
149.99159	1.6
160.05177	38.4
161.05968	13.3
172.05223	5.9
173.02319	7.5
175.03906	54.2
175.06281	2.1
190.04921	32.4
190.06265	100.0
190.08641	3.8
191.03247	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96381	1.1
91.05485	6.9
98.35170	1.2
102.04683	15.2
103.05492	1.5
104.06262	4.7
105.07048	2.5
110.48957	1.1
112.26415	1.0
115.05469	4.9
116.06245	1.8
117.03395	6.7
119.04945	11.9
129.03355	2.3
130.04146	24.5
131.04906	13.7
131.45264	1.1
132.02075	2.0
132.05707	83.8
133.06506	2.4
144.05760	1.4
147.04404	64.4
147.05592	2.1
149.02408	1.7
159.04430	1.4
160.05190	35.8
161.05984	12.8
162.06758	1.6
172.05269	4.9
173.02411	5.9
173.68631	1.1
175.03886	52.3
176.22568	1.1
190.04982	9.6
190.06308	100.0
190.08815	2.6
191.03458	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67992	0.2
100.94398	0.3
147.04424	0.3
149.05957	0.4
160.07642	0.4
175.06285	0.6
190.08632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	1-Methyl-4-methoxy-2-quinolone
Peak:m/z	Relative Intensity
76.76579	0.3
82.08203	0.3
101.73327	0.5
108.90542	0.4
125.84902	0.4
147.06821	3.1
162.05486	0.5
175.04745	0.5
175.06288	16.4
190.05115	3.1
190.08626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.086
Annotation	Phensuximide
Peak:m/z	Relative Intensity
58.06575	0.2
62.72765	0.1
70.06636	0.2
75.12772	0.2
90.15340	0.2
91.05458	0.2
104.96514	0.2
117.03378	0.7
120.08096	2.0
136.81451	0.2
137.55161	0.2
141.86842	0.2
146.06030	0.3
147.06804	2.5
149.02336	0.4
162.09125	30.1
173.06029	0.2
175.04739	0.3
175.06277	13.6
190.04987	5.0
190.08617	100.0
190.18013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.094
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84454	0.3
81.07059	0.5
84.08169	0.4
96.08950	0.6
103.03999	0.7
131.08549	0.5
135.04445	0.8
145.08873	1.9
146.03636	1.8
147.04469	0.5
148.05168	0.7
150.28087	0.4
155.16203	0.9
173.08345	2.6
173.17337	3.8
174.09161	6.8
176.07047	14.2
190.08655	4.3
191.01323	2.7
191.05371	2.2
191.09407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05511	1.1
57.07075	0.6
58.01439	0.2
60.13301	0.3
67.05492	0.5
69.03437	5.7
69.07068	2.7
73.41768	0.3
73.53297	0.3
73.56151	0.3
79.05501	1.6
81.07072	1.5
83.04987	6.4
83.07710	0.3
83.08623	0.3
91.05484	1.4
92.20990	0.4
93.07030	2.2
95.05009	0.3
95.08598	1.8
97.06520	0.8
103.05469	6.2
105.07037	2.6
107.04972	0.5
107.07922	0.6
107.08600	13.1
109.06506	1.2
109.10153	0.5
117.06976	1.2
118.04174	2.4
119.08549	2.4
121.06499	1.7
121.10136	6.2
123.08050	0.6
130.04144	0.6
131.04930	4.7
131.08578	4.3
133.06490	0.4
133.10121	7.2
135.08052	8.1
135.11703	1.5
137.09630	0.4
144.09363	0.5
145.10127	2.8
146.03513	0.3
147.11693	3.7
148.05203	4.6
149.09598	2.7
149.13275	3.3
158.10893	3.3
161.09665	1.1
163.07533	7.3
163.14787	0.6
173.05946	0.4
173.13255	9.8
173.15567	0.4
176.04625	0.3
176.11925	1.3
177.70552	0.3
191.07088	5.5
191.14304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.97036	1.1
55.01885	1.9
55.05518	2.1
60.93102	1.2
67.05517	9.6
69.03422	6.7
69.07066	6.9
71.05024	1.3
72.02048	1.2
74.54184	1.4
79.00616	1.2
79.05505	13.3
81.07070	12.7
83.05000	2.6
83.08620	6.3
88.22839	1.5
90.12045	1.4
91.05486	26.3
93.07050	16.2
95.04970	2.1
95.08597	12.6
95.96255	1.2
96.20105	1.2
105.07040	10.5
107.08616	15.6
109.06519	2.5
109.10152	2.7
111.08080	1.6
115.05418	1.5
117.07029	18.9
119.08566	2.8
121.06496	6.3
121.10131	7.2
122.05391	1.3
123.08019	1.5
131.08577	32.5
133.10135	11.7
135.08052	9.3
145.10103	7.5
147.11699	5.6
149.09578	5.8
149.13252	1.5
150.02634	1.5
158.10956	2.0
163.11159	1.8
163.14803	1.5
173.09607	2.6
173.13249	20.1
191.07153	1.7
191.10648	7.9
191.14308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.03215	1.1
55.05511	3.0
61.39391	1.2
64.20420	1.0
65.52242	1.1
67.05502	7.0
69.03430	15.5
69.07055	2.1
71.04989	6.7
79.05490	6.5
81.07059	9.8
83.04988	4.9
83.08639	1.6
85.06542	6.0
91.05453	10.8
93.07047	10.0
95.04964	8.3
95.08595	7.8
97.06535	2.9
99.09986	1.2
103.05457	6.0
105.07030	18.5
107.04944	6.1
107.08595	33.8
109.06511	14.1
109.10166	32.3
109.35386	1.2
117.07001	6.3
118.04146	1.5
119.08549	8.7
121.06491	7.5
121.10130	30.1
123.08057	9.7
130.04134	1.4
130.07809	1.5
131.04965	5.4
131.08560	26.1
133.10123	100.0
135.08049	26.5
135.11681	6.8
137.09636	10.1
145.06479	1.9
145.10109	20.4
147.08086	1.5
147.11707	13.1
148.05180	5.0
149.09567	9.1
149.13263	14.5
158.10907	6.1
163.07559	9.5
163.11122	2.4
163.14818	6.1
173.05948	2.4
173.09592	9.5
173.13239	41.9
176.04678	2.8
191.05310	7.5
191.07037	13.3
191.08688	4.3
191.10605	14.4
191.14310	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.00740	0.7
52.35072	0.7
54.66047	0.7
55.01873	0.8
57.07084	1.0
59.05013	1.0
67.05497	5.1
69.03439	1.2
69.07079	8.6
71.04995	3.9
76.73900	0.7
79.05492	4.1
81.07066	16.8
83.04982	1.6
83.08675	3.0
85.06539	4.0
91.05476	5.6
93.07031	11.5
95.04981	6.9
95.08613	11.4
97.06535	6.9
103.05491	1.3
105.07060	9.6
107.04980	1.4
107.08604	20.8
109.06520	5.2
109.10165	10.9
117.07026	1.6
119.08561	4.2
121.06508	1.9
121.10146	24.5
123.08076	9.2
123.11710	100.0
130.07855	0.9
131.04942	4.1
131.08583	16.1
133.10135	37.6
135.08058	50.0
135.11685	7.3
145.10083	7.4
147.11703	7.9
149.09583	6.8
149.13237	5.8
158.10922	2.1
163.07455	2.1
163.11154	1.7
163.14787	9.2
167.03516	0.9
173.09627	2.2
173.13248	33.5
191.05434	2.1
191.07031	6.3
191.10753	7.4
191.14317	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
84.34573	0.3
91.05489	2.8
100.51073	0.3
100.64905	0.3
106.06554	0.4
106.14083	0.3
109.73420	0.3
118.13494	0.3
119.04939	5.5
134.06058	0.4
137.05968	0.8
147.04391	2.3
149.05983	36.0
163.03883	0.6
164.07071	0.6
170.43083	0.3
174.05493	6.2
175.03943	2.8
192.06555	100.0
195.68948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
84.34573	0.3
91.05489	2.8
100.51073	0.3
100.64905	0.3
106.06554	0.4
106.14083	0.3
109.73420	0.3
118.13494	0.3
119.04939	5.5
134.06058	0.4
137.05968	0.8
147.04391	2.3
149.05983	36.0
163.03883	0.6
164.07071	0.6
170.43083	0.3
174.05493	6.2
175.03943	2.8
192.06555	100.0
195.68948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
52.14922	0.5
52.34335	0.6
60.24544	0.5
62.53160	0.5
66.35737	0.5
68.36725	0.5
69.07057	0.7
77.06205	0.7
86.59034	0.6
91.05483	4.1
93.07047	0.6
102.05618	0.6
105.25652	0.6
112.65450	0.7
119.04939	5.0
137.06029	0.8
149.05971	33.1
163.03809	1.1
164.07022	3.5
174.05447	6.6
174.13466	0.7
175.03886	2.2
192.06543	100.0
192.14618	1.0
197.08286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
57.00486	0.4
65.03959	0.5
67.05499	0.5
69.07067	0.5
69.09393	0.5
76.58654	0.5
78.88152	0.4
87.99976	0.5
88.86496	0.5
91.05473	5.2
107.08595	0.7
109.06571	0.5
119.04956	4.2
125.51984	0.5
128.05331	0.5
133.10165	1.0
134.05991	0.5
137.05922	0.9
147.04333	1.1
149.05983	38.8
151.11119	0.7
163.03909	1.1
174.05507	6.9
174.13660	0.7
175.03839	0.9
175.28171	0.5
189.08963	0.5
192.06551	100.0
192.10114	2.1
192.14685	0.7
192.17426	0.6
199.87994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71639	0.5
51.86085	0.5
53.12449	0.5
54.04252	0.5
58.16692	0.5
60.76041	0.4
60.97039	0.4
62.31788	0.4
62.73687	0.4
64.25372	0.5
67.20353	0.5
79.41973	0.5
91.05463	3.7
101.92617	0.5
102.80134	0.5
118.07384	0.6
119.04973	4.4
127.26315	0.6
137.05977	1.0
141.95689	0.5
147.04402	0.8
148.05208	0.6
149.05983	37.3
163.03847	1.3
164.07990	0.8
174.05461	4.9
175.03874	1.3
192.06543	100.0
192.10136	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
56.32963	0.4
60.88546	0.4
61.92325	0.5
62.57430	0.4
69.07050	0.7
73.98304	0.4
91.05470	3.0
119.04929	5.2
147.04428	0.8
149.05978	34.7
151.11185	0.9
164.06934	0.9
174.05513	7.0
175.03882	2.9
192.06540	100.0
192.13811	1.0
192.17462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
65.63760	0.5
67.92884	0.5
76.34212	0.4
91.05461	3.2
102.20126	0.5
110.07185	0.5
119.04954	3.5
126.45199	0.5
128.81740	0.5
130.14600	0.5
134.05951	0.5
136.75972	0.4
137.05957	1.1
147.04372	0.8
149.05980	35.0
151.09781	0.8
151.11185	0.6
153.50206	0.6
163.03836	0.5
164.07021	0.8
174.05536	6.1
175.03897	2.5
181.14217	0.5
192.06544	100.0
192.12398	1.8
192.17381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
Peak:m/z	Relative Intensity
55.30742	0.2
59.46387	0.2
61.55369	0.2
71.04994	0.3
83.34171	0.2
90.88828	0.2
91.05469	3.2
108.08955	0.3
109.06529	0.3
109.10149	0.9
110.06877	0.3
110.10455	1.8
119.04948	4.9
122.10435	0.5
131.08582	0.3
132.05490	0.2
132.08878	1.1
134.06023	0.5
134.10489	0.5
135.08093	0.8
136.08380	1.4
137.06000	1.5
147.04385	1.5
149.05981	36.4
163.03889	1.2
164.06985	0.7
174.05490	5.9
174.13618	1.6
175.03918	2.1
192.06554	100.0
192.14552	3.1
194.65434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88003	1.7
77.83640	1.9
91.05496	2.7
101.48284	2.3
118.28124	2.3
120.08070	2.2
121.06481	3.5
130.90298	2.1
134.10440	5.7
146.09619	3.5
149.05936	13.6
160.03941	17.7
164.07025	4.1
164.10765	5.0
174.05490	3.5
174.13582	4.5
177.07803	24.7
192.04051	2.4
192.06523	80.3
192.10199	100.0
192.14639	10.8
209.77426	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
51.47072	0.1
61.24345	0.1
97.61943	0.2
102.77812	0.2
113.90971	0.2
142.16725	0.2
146.06015	0.2
148.07532	0.8
149.05931	1.5
149.08348	0.9
173.98497	0.2
174.05405	0.4
177.07837	26.1
179.11807	0.2
192.06589	5.5
192.10184	100.0
195.32408	0.2
205.87476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
53.55757	0.4
55.55467	0.3
65.89539	0.3
116.32886	0.4
131.16330	0.4
148.07562	1.0
149.08429	0.5
151.07767	0.3
177.07846	26.4
192.06680	3.2
192.10188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67994	0.1
62.80738	0.1
64.72551	0.1
73.77300	0.2
96.29472	0.1
107.48798	0.2
109.85360	0.1
121.06497	0.2
126.02529	0.1
148.07556	0.9
149.05959	0.2
149.08330	0.6
152.27924	0.2
163.07564	0.2
177.07840	27.1
192.10187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	DEET
Peak:m/z	Relative Intensity
53.29460	0.4
60.74871	0.4
72.04517	3.6
78.95329	0.4
91.05473	3.8
91.96536	0.5
100.07618	6.2
109.06535	2.3
119.04941	100.0
122.06033	0.6
131.74280	0.5
149.05965	3.1
151.19727	0.4
151.80722	0.4
192.06557	10.8
192.13826	55.7
208.53175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.94178	0.4
57.07084	0.7
61.42421	0.5
66.45641	0.5
67.05515	0.7
68.33905	0.5
76.12506	0.5
79.05498	5.4
81.07087	2.1
83.04974	0.6
88.54003	0.6
91.05472	3.4
92.83700	0.5
93.07038	2.7
94.04180	0.6
95.04955	1.5
95.08608	3.9
103.05483	0.7
105.07031	7.8
107.04969	4.4
107.08597	1.2
109.02877	3.6
109.06534	0.7
109.10161	2.9
111.08094	1.0
119.08573	3.0
121.02859	4.5
121.10197	0.7
122.03648	7.8
133.02765	1.1
133.06499	6.1
133.10132	3.5
135.04422	11.4
135.11659	0.7
135.41827	0.6
137.02319	1.4
146.97476	2.7
147.11678	1.3
149.02359	5.4
149.13269	1.0
150.03099	7.4
150.06348	1.5
160.06400	0.6
161.05974	6.8
163.03906	25.0
165.05487	1.1
175.11288	0.7
175.14832	6.9
178.02614	8.3
193.04973	100.0
193.06836	5.0
193.12247	2.2
193.15866	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
50.71910	0.4
51.73601	0.5
51.90451	0.4
63.29819	0.5
79.05513	0.8
83.04942	0.8
91.05453	1.4
95.04971	1.2
97.02882	0.6
103.05458	2.3
105.03371	0.6
105.07038	10.6
111.04404	0.8
115.05499	0.9
128.98567	0.7
129.01871	0.9
133.02841	14.4
133.06499	9.5
133.10138	1.2
137.05966	1.3
139.00227	0.7
142.00079	0.7
146.97432	1.2
147.04408	1.3
149.05888	2.1
150.03122	4.7
151.03876	1.0
157.01318	0.6
161.02374	5.5
161.05968	10.2
165.05469	1.2
169.99045	0.8
175.03943	0.7
178.02602	51.2
193.04961	100.0
193.06758	4.7
193.08636	4.7
193.10376	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
54.96444	0.2
55.01881	0.3
66.04719	0.3
71.85928	0.2
77.03907	0.2
79.05485	0.2
91.05479	1.1
93.52801	0.2
94.04200	0.3
95.04943	0.3
102.42762	0.2
103.05492	1.3
105.03381	0.4
105.07038	7.3
111.04424	0.2
115.05421	0.4
116.22850	0.2
117.82809	0.2
118.04183	0.3
119.04933	0.4
122.03653	0.4
127.01377	0.2
131.04927	0.3
132.02084	0.3
133.02850	11.4
133.06503	6.7
137.05934	0.8
143.06042	1.1
147.04378	0.9
149.05951	1.6
150.01981	0.3
150.03120	5.3
151.03932	0.3
161.02359	4.8
161.03682	0.3
161.05971	8.0
165.05467	1.6
173.41513	0.2
175.04027	0.2
178.02609	61.0
193.04965	100.0
196.00800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0706
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.85041	1.2
52.00881	1.0
55.01873	1.2
55.05520	2.6
65.03949	3.0
66.11703	1.6
66.23042	1.0
67.05510	13.7
68.99787	1.4
69.03432	46.7
83.04982	51.6
85.02915	10.5
85.50655	1.1
85.71000	1.2
87.00833	2.9
87.04476	1.2
93.03413	13.8
95.04966	78.8
97.02885	6.2
101.05999	2.6
103.52480	1.3
111.04437	100.0
115.03927	2.9
121.02881	10.6
129.05472	67.7
131.15050	1.2
133.06482	1.5
139.03908	29.9
147.06520	24.1
147.08415	2.2
157.04947	10.5
159.97000	1.3
187.92824	1.9
193.04999	6.4
193.06963	6.0
193.09723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85041	1.2
52.00881	1.0
55.01873	1.2
55.05520	2.6
65.03949	3.0
66.11703	1.6
66.23042	1.0
67.05510	13.7
68.99787	1.4
69.03432	46.7
83.04982	51.6
85.02915	10.5
85.50655	1.1
85.71000	1.2
87.00833	2.9
87.04476	1.2
93.03413	13.8
95.04966	78.8
97.02885	6.2
101.05999	2.6
103.52480	1.3
111.04437	100.0
115.03927	2.9
121.02881	10.6
129.05472	67.7
131.15050	1.2
133.06482	1.5
139.03908	29.9
147.06520	24.1
147.08415	2.2
157.04947	10.5
159.97000	1.3
187.92824	1.9
193.04999	6.4
193.06963	6.0
193.09723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	25.5
55.05521	7.4
56.96561	8.1
57.03433	11.3
58.52979	4.5
58.65292	4.4
61.37676	3.7
61.77272	3.6
67.05502	19.1
69.03435	35.0
71.01321	4.8
73.02923	34.1
79.05501	26.9
81.03098	3.7
81.03427	59.3
81.07045	25.7
83.04983	22.6
85.02904	19.5
85.06552	8.0
91.05471	39.3
93.07037	27.6
95.01305	8.6
95.04945	35.1
95.08624	9.8
97.02884	34.0
97.06506	8.0
98.97569	28.7
105.07041	36.7
107.04943	18.5
107.08582	8.9
109.02880	18.9
109.06516	25.5
110.97596	19.0
111.04445	26.9
116.98608	5.7
117.07014	18.4
119.08568	60.6
121.06512	32.6
123.04397	22.3
123.08060	18.5
128.98615	20.7
129.06995	10.1
132.05696	5.0
133.06497	45.1
135.08041	7.0
137.05968	11.6
137.09628	18.3
141.02234	7.2
147.08037	88.5
149.05946	33.9
151.07518	10.7
152.04123	7.2
158.99603	6.3
159.03256	9.8
161.04639	55.0
161.05969	18.0
165.09065	27.1
168.97758	4.9
170.05182	58.3
175.07530	33.3
177.04382	23.8
178.08220	8.0
183.03192	6.7
193.04929	27.2
193.06798	15.9
193.08612	100.0
193.10533	91.3
201.04184	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01868	25.5
55.05521	7.4
56.96561	8.1
57.03433	11.3
58.52979	4.5
58.65292	4.4
61.37676	3.7
61.77272	3.6
67.05502	19.1
69.03435	35.0
71.01321	4.8
73.02923	34.1
79.05501	26.9
81.03098	3.7
81.03427	59.3
81.07045	25.7
83.04983	22.6
85.02904	19.5
85.06552	8.0
91.05471	39.3
93.07037	27.6
95.01305	8.6
95.04945	35.1
95.08624	9.8
97.02884	34.0
97.06506	8.0
98.97569	28.7
105.07041	36.7
107.04943	18.5
107.08582	8.9
109.02880	18.9
109.06516	25.5
110.97596	19.0
111.04445	26.9
116.98608	5.7
117.07014	18.4
119.08568	60.6
121.06512	32.6
123.04397	22.3
123.08060	18.5
128.98615	20.7
129.06995	10.1
132.05696	5.0
133.06497	45.1
135.08041	7.0
137.05968	11.6
137.09628	18.3
141.02234	7.2
147.08037	88.5
149.05946	33.9
151.07518	10.7
152.04123	7.2
158.99603	6.3
159.03256	9.8
161.04639	55.0
161.05969	18.0
165.09065	27.1
168.97758	4.9
170.05182	58.3
175.07530	33.3
177.04382	23.8
178.08220	8.0
183.03192	6.7
193.04929	27.2
193.06798	15.9
193.08612	100.0
193.10533	91.3
201.04184	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Nocapyrone E
Peak:m/z	Relative Intensity
50.32065	0.8
51.28544	0.8
53.64048	0.9
55.01857	1.1
59.63663	0.8
60.62609	0.9
67.05490	1.3
69.07068	1.1
73.60011	0.9
78.39678	0.8
79.05492	1.8
81.03412	4.8
81.07028	1.7
91.05482	2.2
93.07025	1.6
95.04979	2.1
95.08594	5.0
103.44900	1.0
105.07019	6.6
107.08583	1.4
108.62244	0.9
109.06543	1.3
109.10158	1.4
119.08573	1.0
123.04445	10.0
133.06497	4.5
133.10141	1.5
138.39752	1.1
146.97432	2.3
150.06285	1.7
158.72066	0.9
161.05951	1.1
169.99078	1.2
175.11006	1.0
175.14825	4.1
193.04907	4.1
193.06862	7.7
193.12230	100.0
193.15910	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03944	1.5
55.01878	2.9
55.05515	5.6
57.03420	1.4
65.03925	1.8
67.05509	18.6
69.03426	1.3
69.07048	2.4
71.04978	1.9
74.37465	1.2
78.17603	1.3
79.05492	22.1
81.02950	2.8
81.03426	85.6
81.07053	17.8
83.04983	3.0
83.08646	12.0
84.07191	1.2
88.19254	1.1
91.05479	16.6
93.07044	13.0
95.04970	35.1
95.08614	12.5
97.02877	2.8
97.06541	1.7
100.09361	1.3
101.45431	1.3
105.07030	32.1
107.04950	14.7
107.08610	9.5
109.02895	1.5
109.06497	6.6
109.10139	6.3
111.04477	2.0
111.08099	2.6
115.05442	3.0
119.04999	1.4
119.08573	16.4
121.02838	3.1
121.06502	2.5
121.10126	6.5
122.03667	2.6
123.11718	1.3
129.07030	9.8
131.08533	9.8
131.27750	1.3
133.02814	2.4
133.06494	30.5
133.10133	19.0
135.04443	9.8
135.11674	1.7
137.02324	2.9
137.05899	1.3
139.27002	1.5
143.06065	1.4
146.97408	1.6
147.08046	2.4
147.11671	13.1
149.02379	5.5
149.09592	6.3
149.13231	2.6
150.03114	7.6
157.10109	8.2
161.05975	29.1
163.03908	25.1
165.05444	2.0
175.11256	9.1
175.14807	19.4
178.02643	2.6
180.32495	1.5
193.04955	100.0
193.06670	4.0
193.08582	8.2
193.10454	1.9
193.12260	22.2
193.13939	2.0
193.15872	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73545	0.5
52.67482	0.5
53.03965	0.7
54.09236	0.6
55.01877	1.2
55.05522	13.5
57.07086	1.1
59.05010	1.3
59.51113	0.5
60.71552	0.6
61.01985	0.7
67.05508	7.8
69.03448	1.1
69.07081	7.8
71.04993	3.0
74.17651	0.6
79.05494	6.9
81.03434	1.0
81.07067	21.2
83.04989	43.7
83.08607	1.1
85.02870	0.7
85.06570	0.9
91.05481	9.3
91.61649	0.6
92.21451	0.8
93.07048	9.3
95.04972	4.2
95.08607	10.1
97.06551	1.7
99.08106	0.9
103.05466	1.5
105.03405	9.1
105.04462	0.9
105.06333	1.0
105.07037	23.9
107.04981	0.9
107.08590	9.5
109.06508	5.2
109.10178	14.4
111.04399	1.0
111.08087	3.2
115.05437	3.1
118.04183	0.8
119.04938	5.2
119.08580	12.3
121.10157	3.5
122.03640	1.6
123.08054	5.2
123.11708	4.3
125.09652	0.7
128.96407	1.0
128.98590	1.0
133.02858	100.0
133.06490	17.8
133.10121	11.2
135.11693	12.2
137.05978	1.6
137.09641	10.2
146.97423	3.7
147.04340	5.7
147.09166	1.2
147.11685	1.5
149.13268	1.1
150.03166	5.3
150.06340	1.2
151.03876	16.2
151.11163	1.2
161.02345	48.5
161.04630	1.7
161.05966	24.7
162.06708	0.9
165.05507	9.5
175.03938	4.9
175.07454	1.0
175.14813	11.0
178.02612	10.7
178.08246	1.4
193.04968	37.7
193.06821	4.9
193.08623	4.4
193.10158	4.9
193.12180	1.6
193.15863	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.99750	0.8
55.05514	6.0
65.11066	0.9
67.05508	2.5
69.07066	7.6
71.04978	5.1
79.05503	10.0
81.03418	4.2
81.07063	14.0
83.04970	1.3
83.08620	1.7
89.49762	0.9
91.05474	15.0
93.07047	69.4
93.07645	2.3
95.04967	5.9
95.08611	17.0
95.33814	0.9
96.18909	1.1
105.07039	21.1
107.08598	63.6
109.02869	5.6
109.06509	13.5
109.10137	6.2
110.97586	1.0
119.08581	24.4
120.74254	1.1
121.02823	1.4
121.10174	1.8
122.03652	1.3
123.08046	4.6
123.11713	6.4
133.06491	7.9
133.10139	22.7
135.04419	2.1
135.11697	100.0
137.05977	2.5
137.09608	5.9
147.11720	8.1
150.03201	1.2
150.06332	5.5
151.07558	10.9
152.08325	2.1
161.05939	7.9
163.03896	9.3
175.07440	1.3
175.11157	2.3
175.14810	21.4
178.02650	4.2
193.04961	35.7
193.06825	8.3
193.08580	3.4
193.10056	6.7
193.12140	7.9
193.14293	1.4
193.15898	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.13995	1.4
51.83408	1.1
53.03944	1.3
55.01876	1.6
55.05510	10.8
58.92348	1.2
59.04992	3.2
67.05491	8.4
69.03421	8.7
69.07063	12.9
71.05005	2.0
79.05488	6.9
81.07056	19.0
83.04981	18.2
83.08608	7.9
85.06551	2.7
91.05463	7.4
93.07047	15.3
95.04974	5.9
95.08612	44.4
99.08093	1.2
103.05472	2.7
104.13348	1.3
105.07035	69.0
107.08593	32.6
109.06532	16.8
109.10155	64.5
111.08080	8.1
115.05448	10.8
116.85165	1.5
118.04163	1.5
119.07750	2.3
119.08575	40.2
121.10139	27.7
123.08078	29.3
123.11720	10.7
125.09620	2.1
133.02863	8.1
133.06490	66.9
133.10124	36.0
135.11687	79.6
137.06033	1.9
137.09624	30.7
138.10428	5.1
143.06052	3.2
147.11684	4.7
149.13281	15.9
151.11154	12.9
151.14816	11.6
161.02336	2.6
161.05966	79.5
163.56180	1.4
165.05566	1.7
165.16364	2.7
175.14825	48.3
193.05054	9.0
193.06935	4.0
193.08598	32.9
193.15878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01876	0.8
55.05518	25.4
57.07080	1.6
57.40939	0.6
59.05006	1.5
64.73743	0.7
66.77193	0.7
67.05516	11.8
69.03442	1.5
69.07069	17.4
69.07441	1.2
71.04989	4.3
79.05500	8.4
81.07060	44.7
83.04984	100.0
83.08630	3.6
85.06536	1.6
91.05479	4.6
93.07049	13.9
95.04973	5.0
95.08610	26.3
97.06526	4.3
97.10139	1.0
99.08073	1.7
105.03381	1.1
105.07041	9.6
107.08601	16.6
109.06518	12.5
109.10159	29.6
111.08080	7.7
111.11683	1.6
119.08575	23.3
121.10146	8.9
123.08070	10.1
123.11707	8.6
125.09591	3.1
133.02858	10.6
133.06497	3.1
133.10124	26.5
135.11694	25.6
137.09621	20.2
147.11684	3.9
149.13260	4.2
151.11267	2.6
161.02345	5.2
165.05476	0.9
175.03909	0.9
175.14810	23.1
178.02538	1.2
193.04935	4.5
193.06570	1.4
193.08340	0.9
193.15869	29.6
193.17593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
54.36503	1.3
55.05516	4.5
60.55892	1.5
67.05500	7.1
69.07064	20.4
71.04999	16.6
79.05470	2.8
81.07076	18.6
83.08599	2.1
84.94736	2.0
85.06551	8.3
91.05455	7.0
93.07041	20.7
95.04968	26.2
95.08599	23.0
97.06541	2.4
97.10175	9.9
99.08082	2.8
105.07030	15.3
107.08594	33.5
109.06528	83.8
109.10143	12.4
111.08065	7.6
111.11778	1.8
119.08577	23.9
121.10127	9.5
123.08067	6.9
123.11729	20.9
129.71002	2.1
133.06487	3.2
133.10161	29.4
135.11697	41.6
137.09631	15.4
138.23067	2.0
147.11620	4.3
149.02277	2.5
149.13254	12.5
149.58809	2.1
150.06294	2.3
151.11200	3.8
161.05917	2.8
175.14822	53.1
178.02687	2.5
193.04964	14.1
193.06895	13.5
193.10052	8.5
193.12268	7.4
193.15875	100.0
207.58673	1.8
208.95103	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.73545	0.5
52.67482	0.5
53.03965	0.7
54.09236	0.6
55.01877	1.2
55.05522	13.5
57.07086	1.1
59.05010	1.3
59.51113	0.5
60.71552	0.6
61.01985	0.7
67.05508	7.8
69.03448	1.1
69.07081	7.8
71.04993	3.0
74.17651	0.6
79.05494	6.9
81.03434	1.0
81.07067	21.2
83.04989	43.7
83.08607	1.1
85.02870	0.7
85.06570	0.9
91.05481	9.3
91.61649	0.6
92.21451	0.8
93.07048	9.3
95.04972	4.2
95.08607	10.1
97.06551	1.7
99.08106	0.9
103.05466	1.5
105.03405	9.1
105.04462	0.9
105.06333	1.0
105.07037	23.9
107.04981	0.9
107.08590	9.5
109.06508	5.2
109.10178	14.4
111.04399	1.0
111.08087	3.2
115.05437	3.1
118.04183	0.8
119.04938	5.2
119.08580	12.3
121.10157	3.5
122.03640	1.6
123.08054	5.2
123.11708	4.3
125.09652	0.7
128.96407	1.0
128.98590	1.0
133.02858	100.0
133.06490	17.8
133.10121	11.2
135.11693	12.2
137.05978	1.6
137.09641	10.2
146.97423	3.7
147.04340	5.7
147.09166	1.2
147.11685	1.5
149.13268	1.1
150.03166	5.3
150.06340	1.2
151.03876	16.2
151.11163	1.2
161.02345	48.5
161.04630	1.7
161.05966	24.7
162.06708	0.9
165.05507	9.5
175.03938	4.9
175.07454	1.0
175.14813	11.0
178.02612	10.7
178.08246	1.4
193.04968	37.7
193.06821	4.9
193.08623	4.4
193.10158	4.9
193.12180	1.6
193.15863	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.41127	1.5
50.41350	1.3
51.22054	1.3
55.01875	6.7
55.05512	8.8
57.07092	2.4
67.05506	9.9
68.43595	1.5
69.03439	4.0
69.07062	11.7
79.05485	8.4
81.07067	19.7
83.04971	18.9
83.08606	9.0
85.06537	2.3
91.05471	8.6
93.07056	16.1
95.04974	4.0
95.08607	37.8
97.06548	3.0
97.10178	2.0
99.08115	2.0
103.05453	2.9
104.55650	1.6
105.03363	1.6
105.07042	88.1
107.04995	1.9
107.08605	34.7
109.06514	14.1
109.10159	58.7
109.10889	2.4
111.08064	3.9
111.64515	1.6
115.05466	12.1
117.06998	1.7
119.08576	51.2
119.79875	1.8
121.06506	3.5
121.10138	24.6
123.08057	26.8
123.11700	7.9
133.02841	7.3
133.06493	84.5
133.10126	37.9
135.08096	8.7
135.11705	68.2
137.09637	30.2
138.10455	2.4
143.06070	7.9
147.11668	13.8
148.27637	1.8
149.05986	2.5
149.13283	15.0
151.03903	2.4
151.11195	10.6
151.14798	4.3
152.04288	2.6
161.05978	94.9
161.07330	3.9
162.06767	32.6
165.09102	7.7
165.16365	4.1
173.74326	1.7
175.03860	2.1
175.07489	2.7
175.11206	2.3
175.14803	51.4
178.02438	2.1
178.06190	3.6
193.04961	14.8
193.06944	3.6
193.08601	43.9
193.10152	4.4
193.12245	7.8
193.15897	100.0
203.98709	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0447
Annotation	5,6-Dihydroxyindole-2-carboxylate
Peak:m/z	Relative Intensity
53.23758	0.3
60.00439	0.3
82.56433	0.3
82.84213	0.3
96.76009	0.3
105.18922	0.4
107.04319	0.3
107.04953	2.7
111.04422	0.3
125.05867	0.4
135.04404	1.9
136.07561	0.4
138.67067	0.3
148.03928	12.7
148.07588	0.4
151.07603	0.5
152.07071	0.3
153.05423	0.6
159.85503	0.3
166.08598	0.5
176.03299	0.5
176.07083	0.3
194.04483	100.0
194.08083	3.9
194.11752	1.6
214.80663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23758	0.3
60.00439	0.3
82.56433	0.3
82.84213	0.3
96.76009	0.3
105.18922	0.4
107.04319	0.3
107.04953	2.7
111.04422	0.3
125.05867	0.4
135.04404	1.9
136.07561	0.4
138.67067	0.3
148.03928	12.7
148.07588	0.4
151.07603	0.5
152.07071	0.3
153.05423	0.6
159.85503	0.3
166.08598	0.5
176.03299	0.5
176.07083	0.3
194.04483	100.0
194.08083	3.9
194.11752	1.6
214.80663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.11497	0.4
54.48766	0.5
59.45154	0.5
68.05022	1.4
69.03431	2.5
76.38003	0.5
76.60583	0.5
79.22001	0.6
80.05025	24.2
82.06593	0.7
87.04471	100.0
93.05877	0.6
93.07040	0.9
103.05506	0.7
106.06527	1.1
108.04486	79.9
118.06573	3.0
120.08118	10.1
132.08028	0.6
133.05243	0.6
134.06027	0.8
136.07584	63.9
148.07579	13.2
164.07045	12.4
166.08633	99.2
194.08173	11.1
194.11763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0811
Annotation	Cerpegin
Peak:m/z	Relative Intensity
51.40942	0.5
53.03952	0.5
61.70750	0.5
68.05009	0.6
69.03430	2.7
72.93812	0.6
80.05021	24.4
86.21640	0.6
87.04468	100.0
106.06545	1.1
108.04478	74.7
118.05760	0.7
118.06528	4.6
120.08115	8.8
132.08083	0.7
133.03011	0.7
134.03209	1.5
136.07578	62.4
148.07562	12.9
149.08311	0.7
151.07552	1.1
160.98247	0.7
162.02655	0.7
164.07051	11.0
166.08621	97.7
186.83167	0.6
194.05260	0.6
194.08102	8.5
194.11807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	Heliamine
Peak:m/z	Relative Intensity
66.06575	0.5
87.04472	1.4
91.05482	0.8
92.00187	0.5
95.04966	0.8
96.04533	0.6
103.05428	0.7
104.55954	0.5
108.04465	0.9
108.08100	0.7
109.02912	0.7
109.06517	2.7
121.06508	0.7
131.04916	3.7
131.08522	4.9
134.09656	2.5
137.06026	3.9
137.09691	0.6
138.06720	0.8
145.94620	0.7
147.06792	0.8
148.07626	0.6
151.07538	46.5
152.03468	0.8
159.08038	13.2
162.09038	0.8
163.07544	5.2
165.09099	22.1
166.04976	0.8
177.09108	18.2
179.09479	1.3
194.08145	8.2
194.11781	100.0
201.40009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	SALSOLINE
Peak:m/z	Relative Intensity
53.30709	0.6
54.44071	0.6
54.55381	0.5
56.62885	0.7
58.41214	0.7
76.79900	0.5
78.51880	0.6
80.29279	0.6
81.03400	0.8
87.04459	0.8
91.05474	2.8
95.04931	1.2
105.07008	0.7
108.04445	1.1
115.05447	3.7
117.07011	34.6
119.04929	2.8
120.04428	0.8
121.06533	4.7
124.03956	0.6
134.09653	1.2
137.05965	0.7
138.18457	0.6
145.06479	100.0
148.03954	1.5
148.07443	1.2
148.08516	1.0
149.06023	0.7
149.09602	1.1
151.07532	29.1
155.05997	0.8
162.06749	2.9
162.09093	1.0
165.09093	4.4
176.07103	1.1
177.09090	84.1
194.03072	0.7
194.04457	47.0
194.08038	10.2
194.11760	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13277	6.4
55.05517	15.2
56.05035	6.6
57.07085	11.6
61.17728	6.4
67.05508	44.1
69.07067	27.8
70.06590	13.1
70.94237	8.7
70.95890	8.5
79.05511	49.3
81.07066	71.7
82.06573	25.3
83.08607	31.6
84.08141	29.1
88.02258	5.9
91.05477	8.4
93.07041	93.6
95.08602	13.1
96.08128	67.2
98.06039	9.8
98.09689	13.4
105.07035	9.1
107.08595	46.4
110.09707	52.9
111.35354	6.2
111.96861	27.2
111.98481	6.9
117.06974	6.3
121.10143	26.4
123.11732	8.0
124.11197	44.8
129.97890	7.3
135.11700	10.8
149.13235	13.2
151.07561	9.4
151.64455	7.2
166.15906	100.0
176.14357	6.3
177.12674	8.6
194.08191	14.5
194.11731	13.3
194.15431	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.01859	0.7
57.32454	0.5
63.24625	0.5
65.03936	2.4
67.02399	0.7
76.97626	0.6
79.05494	5.1
84.08141	1.3
91.05473	6.2
93.03412	5.9
95.04966	2.5
103.05476	10.5
105.07040	4.8
107.04957	100.0
110.03648	0.8
111.04440	10.0
115.05460	4.1
117.03398	0.7
117.07011	2.5
119.04919	3.4
120.05723	3.6
121.06480	0.8
123.04464	0.6
125.05989	18.5
131.04922	9.1
133.06487	1.0
135.04507	1.1
135.05545	9.0
135.08052	44.1
145.02878	2.7
145.07619	5.9
149.05980	7.1
153.05470	46.1
154.05112	0.6
154.06206	4.3
163.07533	98.0
165.05467	1.1
167.06996	12.5
177.05446	4.8
177.12665	0.7
180.07823	3.2
195.03114	0.6
195.04903	2.9
195.06310	1.6
195.07809	2.8
195.10118	22.1
196.41824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.4
68.99795	1.8
71.95270	0.2
73.76365	0.2
79.05487	0.4
81.07050	1.0
83.08600	0.2
84.32736	0.2
85.10160	0.8
91.05476	0.3
93.07059	0.4
95.08623	0.4
98.35250	0.3
102.43045	0.2
107.08570	0.8
117.07015	0.4
125.09600	1.8
130.99963	0.3
135.11662	0.4
141.06960	0.5
152.06197	0.2
153.07016	4.0
153.09073	5.0
154.07817	0.2
155.08553	1.2
159.11696	0.4
165.06981	17.9
166.07735	2.6
167.08543	8.2
177.05420	0.4
178.07794	0.4
179.08528	2.2
180.09331	24.7
185.87570	0.3
193.10144	1.5
195.11687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.08379	1.7
53.03959	2.2
54.43092	1.6
55.05513	12.0
57.03432	4.0
59.97212	1.8
66.91518	2.0
67.05514	64.1
67.55853	1.8
68.70963	2.1
69.07069	16.0
71.04987	4.0
76.11780	2.4
79.05499	42.5
81.03422	43.0
81.07066	100.0
83.04991	15.2
83.08623	9.6
85.02880	2.0
85.06531	2.9
91.05489	33.0
93.07050	62.1
93.11725	2.1
95.04976	12.4
95.08610	34.6
96.92440	2.2
97.06517	21.2
105.07043	13.9
107.04963	23.1
107.08585	28.6
109.06537	3.7
109.10165	3.2
109.98951	2.5
111.08080	5.2
117.03393	2.9
117.07050	16.2
121.06525	20.1
121.10165	15.3
123.08057	2.2
123.11726	3.5
131.08566	20.1
133.10127	47.4
133.11069	3.6
135.04431	8.2
135.08099	4.2
135.11696	45.9
140.63054	2.5
145.02847	9.3
148.97441	4.5
149.13258	31.8
151.11139	2.9
154.04961	10.2
159.11685	22.1
163.03908	19.4
177.05492	8.9
177.12758	14.4
188.57518	2.3
195.06528	10.1
195.11903	3.2
195.13789	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.23523	3.0
55.05514	6.0
57.03445	4.5
67.05506	63.1
69.07050	16.0
71.04986	5.7
71.94102	5.3
71.95296	5.3
79.05508	30.3
81.03427	16.9
81.07061	100.0
83.04995	8.0
83.08626	7.7
86.71756	3.0
91.05505	27.2
93.07041	58.5
95.04965	3.9
95.08591	45.3
97.06522	13.8
98.49256	3.4
105.07030	6.8
107.04935	8.9
107.08589	37.5
109.10181	4.1
109.98947	4.9
111.08093	7.1
112.96738	6.1
117.07014	15.0
119.08598	6.2
121.06505	6.5
121.10123	5.7
130.96271	8.1
131.08589	21.2
133.10150	41.3
135.07991	4.8
135.11684	59.3
145.02858	19.6
149.13246	29.8
151.11201	5.0
153.73219	3.7
153.97801	4.5
159.11723	28.0
163.03915	5.6
171.98924	4.9
177.05495	15.6
177.12733	24.8
187.29303	3.8
192.75809	4.4
195.12022	6.9
195.13817	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01876	3.2
55.05532	14.4
57.03434	3.9
57.41755	1.5
57.59718	1.4
67.05514	69.6
69.03436	2.0
69.07080	15.7
69.80266	1.7
71.04990	7.4
71.15778	1.5
71.94099	2.2
71.95265	4.4
79.05499	39.0
81.03430	18.8
81.07063	100.0
83.04985	18.0
83.08636	11.4
85.06543	3.8
89.06042	2.5
91.05489	24.1
93.06486	2.7
93.07047	65.2
95.04977	10.5
95.08604	46.9
97.06513	14.1
99.08131	1.9
105.07041	10.3
105.32083	1.6
107.04949	3.4
107.08589	32.4
109.06542	3.7
109.69760	1.9
111.08099	7.4
112.96715	7.2
117.07018	11.3
119.08573	1.9
121.06522	12.4
121.10125	15.2
131.08588	18.1
133.10121	29.1
135.08047	8.6
135.11699	39.2
145.02838	7.5
149.01201	1.7
149.13248	30.1
159.11693	28.8
163.03900	2.6
177.05432	4.2
177.12718	21.4
195.07971	2.5
195.13803	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01883	2.8
55.05514	11.8
57.03436	3.3
67.05511	63.0
69.07073	9.3
70.79995	1.8
71.04975	3.7
71.94090	2.4
71.95260	4.6
79.05499	44.8
81.03415	14.1
81.07064	100.0
83.04993	33.0
83.08620	8.6
85.06561	2.5
91.05486	24.8
93.07044	74.8
95.04958	9.1
95.08609	42.9
97.06532	19.1
105.07040	11.3
107.08598	25.4
109.06541	3.5
109.10188	2.6
111.08028	3.5
112.90547	2.1
112.96719	3.6
117.07003	19.1
119.08561	4.8
121.06503	9.3
121.10130	11.3
130.97789	2.3
131.08604	21.4
133.10114	22.9
135.08032	5.0
135.11700	33.5
145.02794	2.8
149.13271	17.2
159.11716	25.2
171.26010	2.3
177.05435	4.5
177.12769	13.2
180.09334	3.6
195.11752	12.1
195.13817	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01878	2.6
55.05529	15.0
55.05738	1.6
57.03447	4.2
57.07075	2.4
60.51499	1.6
67.05507	62.9
67.35439	1.8
69.03419	3.1
69.07069	19.4
71.04989	10.9
79.05501	38.8
81.03426	61.0
81.07065	100.0
83.04996	25.7
83.08612	12.1
85.06537	8.1
91.05482	37.2
93.07042	68.4
95.04961	9.9
95.08611	47.0
97.06526	15.6
105.07053	15.9
107.04951	9.1
107.08607	32.6
109.06497	2.2
109.10173	7.7
111.08086	3.0
117.07021	20.0
119.08587	8.7
121.06499	24.7
121.10130	10.8
126.28645	2.1
131.08582	19.3
133.10124	45.2
135.08087	7.4
135.11697	52.7
136.15918	2.1
145.02831	10.2
149.09642	2.2
149.13255	21.6
149.19856	2.0
149.28145	2.1
151.11192	7.9
153.09157	3.8
159.11661	28.7
163.03862	3.5
165.07048	3.0
177.05432	12.4
177.12720	24.0
180.09358	3.2
195.08069	4.3
195.11708	13.6
195.13805	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
55.01873	2.1
55.05519	14.1
60.83504	0.9
65.03915	1.2
65.06184	1.0
67.05511	62.3
69.07070	17.0
71.04987	7.0
71.94112	2.5
71.95258	6.1
72.31183	1.0
74.69489	1.1
75.73830	1.0
79.05499	32.6
81.03429	7.3
81.07063	100.0
82.07383	1.8
83.04990	14.3
83.08622	15.8
83.42972	1.2
85.02898	5.9
85.06524	6.9
91.05479	22.8
93.07043	70.1
94.07379	1.5
95.04958	9.6
95.08606	40.8
95.19067	1.0
96.59773	1.1
97.06528	27.8
97.10133	2.3
99.04431	1.2
99.08096	4.4
105.07043	8.1
107.08597	28.9
109.06512	6.9
109.10160	2.7
111.08090	12.3
112.96693	5.4
112.97820	1.5
113.09632	2.1
117.07010	15.8
119.08577	7.8
121.06498	6.3
121.10162	14.6
123.08067	1.7
123.11700	1.4
126.31725	1.0
130.97801	1.3
131.08548	14.1
132.08984	1.1
133.10120	25.0
135.08098	9.5
135.11687	46.6
136.12015	1.9
137.09663	1.7
142.79346	1.2
149.09581	5.2
149.13252	40.4
150.13625	1.4
151.11148	7.1
152.10706	2.6
153.12737	1.1
159.11687	40.9
160.12042	7.6
166.12215	2.8
177.05432	1.6
177.12735	29.6
178.13150	4.7
195.07817	1.4
195.13821	53.9
195.15665	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01871	5.5
55.05522	24.3
57.07080	4.6
60.86200	2.3
67.05511	43.9
69.03422	2.6
69.07057	31.5
71.94098	3.6
71.95277	2.9
77.67693	2.4
79.05483	13.5
81.07055	50.5
83.04964	28.7
83.08623	22.2
85.06555	2.6
89.01118	2.3
93.07040	26.5
95.03202	2.3
95.08607	100.0
97.06543	19.8
97.10154	14.6
98.67844	2.7
99.08121	3.6
107.08598	18.3
109.10154	22.5
111.08102	4.3
112.96703	5.6
117.84962	2.4
121.10089	25.7
130.46799	2.4
130.47762	2.2
135.11743	22.3
149.13225	3.9
177.05460	3.6
177.16370	15.6
195.13774	3.3
195.17421	45.3
207.06506	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0968
Annotation	3-methyltyrosine zwitterion
Peak:m/z	Relative Intensity
50.01600	0.2
50.61752	0.2
56.96572	1.1
77.72150	0.3
80.51514	0.2
82.39388	0.3
82.78970	0.3
86.46906	0.3
86.58564	0.3
87.04465	2.3
91.05486	2.1
93.07045	5.8
94.83340	0.3
95.04971	1.3
103.05463	2.3
110.06043	3.9
111.98806	0.3
121.06504	100.0
131.96159	0.4
139.72917	0.4
149.13170	0.3
150.09204	1.2
151.07594	0.4
155.01920	0.5
161.05984	0.7
178.08633	0.6
179.09731	0.3
196.06053	0.4
196.09708	6.4
196.13312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.097
Annotation	Damascenine
Peak:m/z	Relative Intensity
53.17527	0.5
55.05517	1.3
56.69717	0.5
57.03438	1.0
58.21321	0.5
59.05016	6.6
59.05255	0.7
59.80228	0.5
71.60401	0.6
73.06541	1.1
73.40042	0.5
87.04435	1.1
89.05984	0.6
92.56411	0.6
94.06598	0.8
96.04495	91.1
98.15421	0.6
105.69713	0.6
110.05994	0.7
121.06555	1.1
136.07552	1.2
137.05949	0.8
150.05484	0.7
150.09154	5.0
155.05145	0.7
157.16782	0.6
163.80815	0.6
178.08623	15.0
196.06023	5.1
196.09698	100.0
212.04193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0968
Annotation	3-methyltyrosine zwitterion
Peak:m/z	Relative Intensity
52.33660	0.7
58.46503	0.7
59.82365	0.7
62.06099	2.5
70.08017	0.7
71.66480	0.7
72.61436	0.8
75.44227	0.7
81.03437	3.2
87.04473	42.1
91.05476	1.8
93.07043	4.9
95.04980	1.5
103.05472	4.0
105.07068	1.7
107.04947	3.2
110.06049	49.9
115.05455	1.2
119.01916	0.8
121.06506	100.0
122.05950	1.1
124.07593	3.7
132.08086	1.1
133.06491	2.0
135.04469	7.8
137.05965	1.4
143.04910	1.9
149.05991	1.5
150.05501	4.6
150.09154	10.2
151.07532	7.1
152.07101	6.1
155.01881	1.0
160.07600	1.7
161.06009	7.2
173.02960	1.5
178.07117	1.1
178.08632	24.8
179.07036	7.3
196.06003	6.8
196.09697	61.5
196.13416	1.3
203.27795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	5-Hydroxyconiferyl alcohol
Peak:m/z	Relative Intensity
56.49210	0.3
57.24144	0.3
70.95865	0.4
73.02930	0.3
84.61745	0.3
90.65721	0.3
91.05479	5.4
95.04994	0.6
107.08634	0.4
110.03640	0.5
111.04444	0.4
111.98486	1.6
119.04932	6.4
125.05988	4.0
125.34417	0.3
127.42851	0.3
132.95822	2.3
135.11662	0.4
137.05984	1.6
147.04411	100.0
150.96857	2.7
151.03937	2.6
151.07539	22.4
155.97412	2.0
173.98483	1.4
179.07031	12.7
179.10599	0.7
180.02893	0.5
197.08022	0.4
197.11604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
54.32748	0.4
55.01892	0.5
55.05514	1.0
57.03447	0.7
64.62829	0.5
69.07080	0.5
70.06594	1.0
70.95858	3.5
71.50114	0.5
72.08153	2.6
72.93810	1.7
73.02928	13.8
81.07069	0.6
88.96929	2.1
91.05482	2.2
95.08559	0.6
98.06105	0.8
107.08597	0.9
110.03678	1.0
111.04449	0.6
111.98485	11.3
113.96356	1.1
116.20161	0.5
119.04939	2.6
122.03649	1.0
123.04375	0.6
125.06004	12.6
129.99550	4.2
132.95844	13.3
133.02835	0.6
133.10170	1.1
135.11659	0.8
137.05989	100.0
138.05502	3.5
138.06560	0.6
141.05466	0.6
147.04413	13.9
149.05983	0.9
150.96892	18.7
151.03918	71.9
151.07550	6.7
151.08691	0.9
155.97423	14.6
168.97995	0.9
169.06393	0.6
169.13324	0.7
173.98471	12.8
179.07022	17.8
179.10696	1.3
180.02925	2.7
180.06535	0.8
197.05977	4.5
197.08115	5.6
197.09737	1.6
197.11324	0.7
197.12935	2.6
206.62227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
55.01874	0.9
65.03938	0.5
65.15202	0.5
70.95860	7.3
71.57563	0.5
72.93774	2.8
73.02916	1.1
77.03931	1.1
79.05503	5.6
80.05000	0.8
81.07059	6.0
88.96909	1.0
90.76644	0.6
90.77232	0.5
91.05480	34.0
91.84480	0.5
93.07035	0.6
94.04173	3.2
95.04977	5.7
98.10339	0.5
105.03400	14.5
107.04980	4.7
107.08631	0.6
109.06524	31.2
111.05540	0.8
111.98474	18.6
113.96410	1.2
119.04943	13.9
119.05785	0.9
119.06110	0.6
122.03632	2.4
123.04465	2.2
125.05973	1.0
128.64145	0.5
129.99536	5.0
132.95845	24.8
133.02856	100.0
135.04431	4.8
135.11703	1.1
136.07585	2.5
137.05980	80.1
138.05482	2.4
147.04407	3.7
150.96889	27.4
151.03922	8.7
151.07506	0.8
151.08665	1.3
152.07072	1.3
153.05466	2.9
155.97421	23.6
161.09552	0.9
165.05460	46.2
167.06970	2.6
173.98492	21.6
173.99686	0.5
179.06912	1.3
179.08173	2.4
179.10643	4.0
180.06578	3.5
197.06291	1.0
197.08025	3.7
197.09369	3.2
197.11604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49210	0.3
57.24144	0.3
70.95865	0.4
73.02930	0.3
84.61745	0.3
90.65721	0.3
91.05479	5.4
95.04994	0.6
107.08634	0.4
110.03640	0.5
111.04444	0.4
111.98486	1.6
119.04932	6.4
125.05988	4.0
125.34417	0.3
127.42851	0.3
132.95822	2.3
135.11662	0.4
137.05984	1.6
147.04411	100.0
150.96857	2.7
151.03937	2.6
151.07539	22.4
155.97412	2.0
173.98483	1.4
179.07031	12.7
179.10599	0.7
180.02893	0.5
197.08022	0.4
197.11604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Atraric acid
Peak:m/z	Relative Intensity
56.57552	0.4
60.71117	0.4
62.49302	0.4
62.70905	0.4
70.06584	0.8
70.95854	6.8
72.93785	3.2
77.03883	0.5
79.05511	1.0
80.05027	0.9
81.03404	0.6
81.07035	0.7
87.04456	0.6
88.96895	1.0
90.94821	0.8
91.05495	11.7
94.04191	0.7
95.04967	0.8
96.54615	0.5
105.03400	0.9
107.04961	0.9
107.08568	0.8
108.04494	0.7
109.06495	4.9
110.06072	1.0
111.05568	0.5
111.98473	20.4
113.96416	0.7
117.13705	0.5
119.04945	30.0
121.06499	0.7
122.03649	3.1
122.05989	0.5
122.06849	2.0
124.04010	1.2
129.99512	4.8
131.97504	0.5
132.95840	24.0
133.02872	3.8
133.10139	0.9
134.06003	1.0
135.04417	1.1
135.11743	0.7
136.07530	1.7
137.05980	100.0
138.05522	2.6
144.23737	0.5
147.04410	38.8
150.96884	25.8
151.03925	0.8
151.07520	1.9
151.08604	0.8
152.07076	3.5
153.05505	3.9
154.08601	1.2
155.97421	22.9
165.05510	3.8
167.07018	0.9
168.97932	0.6
173.98486	23.6
179.05539	0.7
179.07011	3.9
179.08336	0.7
179.10649	2.6
180.02849	0.7
180.06566	3.9
187.37071	0.5
197.05681	0.6
197.09308	3.9
197.11829	2.8
209.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34965	0.3
68.05029	8.7
69.03426	2.1
70.95854	1.7
72.93789	0.4
79.05498	0.4
80.05011	0.5
80.89200	0.3
87.04466	15.4
88.96905	0.5
91.05469	0.4
94.02927	1.7
98.03242	0.3
105.91419	0.3
107.08609	0.5
108.08129	0.5
109.06509	0.4
111.98475	5.7
113.30548	0.3
118.06520	2.7
119.04931	0.4
129.99582	0.6
132.95818	6.9
133.02800	0.5
133.10139	0.5
135.11697	1.2
136.07573	100.0
137.06021	0.5
141.67671	0.3
147.04355	0.5
150.96880	7.8
151.03905	0.7
151.07529	0.5
153.05501	0.7
154.08620	21.2
155.97408	6.2
161.09586	0.4
162.05476	14.4
168.98041	0.3
173.98480	5.0
179.08180	1.5
179.10738	2.1
180.06514	5.5
183.36388	0.4
197.09167	7.8
197.11751	1.1
207.52431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34965	0.3
68.05029	8.7
69.03426	2.1
70.95854	1.7
72.93789	0.4
79.05498	0.4
80.05011	0.5
80.89200	0.3
87.04466	15.4
88.96905	0.5
91.05469	0.4
94.02927	1.7
98.03242	0.3
105.91419	0.3
107.08609	0.5
108.08129	0.5
109.06509	0.4
111.98475	5.7
113.30548	0.3
118.06520	2.7
119.04931	0.4
129.99582	0.6
132.95818	6.9
133.02800	0.5
133.10139	0.5
135.11697	1.2
136.07573	100.0
137.06021	0.5
141.67671	0.3
147.04355	0.5
150.96880	7.8
151.03905	0.7
151.07529	0.5
153.05501	0.7
154.08620	21.2
155.97408	6.2
161.09586	0.4
162.05476	14.4
168.98041	0.3
173.98480	5.0
179.08180	1.5
179.10738	2.1
180.06514	5.5
183.36388	0.4
197.09167	7.8
197.11751	1.1
207.52431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
55.01863	0.4
55.05524	0.5
59.05000	1.3
64.66110	0.5
70.95870	3.1
72.93796	0.7
79.05492	2.2
81.07046	2.6
88.96908	0.6
91.05474	5.5
93.07045	13.1
95.04978	4.2
95.08571	0.8
105.07037	8.1
107.08598	49.4
109.06493	3.1
109.10162	4.4
111.98483	6.9
113.96403	0.7
116.66850	0.5
119.04868	1.0
119.08601	4.7
119.09341	0.6
121.06505	3.8
123.04430	1.0
123.11687	2.2
129.99503	1.2
132.95834	8.6
133.10130	49.0
135.11696	49.8
137.05962	2.8
137.09596	3.2
150.96886	12.0
151.11156	7.1
155.97426	7.2
161.09604	33.1
161.92227	0.5
173.98492	7.5
176.22147	0.5
179.10663	100.0
185.93826	0.5
197.05827	0.9
197.11728	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
55.05515	1.7
57.07079	3.7
57.82646	1.4
67.05499	7.2
69.32425	1.5
70.11409	1.3
70.95868	6.1
72.93812	1.8
81.03421	6.7
81.07056	8.5
88.96915	2.4
89.85928	1.5
91.05476	6.7
93.07043	18.0
95.04968	8.2
95.08614	6.8
102.05573	1.9
105.03414	13.8
105.06995	10.9
107.08608	41.0
109.06510	3.5
109.10159	3.8
111.98466	19.0
113.96394	2.4
119.04945	8.2
119.08595	6.0
121.06490	8.7
123.11712	2.6
129.07014	1.6
129.99472	2.3
132.95836	18.6
133.10136	45.9
135.11703	46.4
136.07643	1.8
137.06026	3.5
137.09586	5.6
138.05566	1.8
139.36908	1.7
141.09093	2.5
150.96889	23.8
151.11176	6.7
152.10748	2.6
155.08524	12.2
155.97423	22.9
161.09610	27.8
167.08510	2.3
169.08714	1.6
169.10100	11.3
173.98488	20.5
178.91850	1.4
179.07097	2.1
179.10663	100.0
179.12238	3.3
180.03001	2.0
182.10951	11.5
184.81671	1.8
196.99983	2.4
197.09642	13.3
197.11720	90.9
197.13298	41.8
197.15411	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
54.11501	1.7
54.51710	1.5
55.05512	12.2
60.09224	1.6
62.97753	1.6
64.94598	2.0
67.05494	2.7
69.03416	2.2
70.74117	2.0
70.95854	23.0
72.93781	8.7
75.03458	1.8
79.05478	3.6
81.07059	10.4
88.96884	2.4
90.94870	2.9
91.05498	4.0
93.07056	9.3
95.04974	11.7
95.08601	3.1
97.06574	3.4
99.04453	3.9
105.07036	9.7
107.08591	43.3
107.09263	3.1
109.02863	4.3
109.06500	15.9
109.10155	6.7
111.04388	2.2
111.98477	65.2
113.96426	4.2
119.08560	4.1
121.06477	3.3
121.27604	1.9
122.49017	2.0
123.04465	2.0
125.05997	63.0
127.03925	27.8
129.99527	14.0
132.95833	87.3
133.10126	50.3
135.08095	2.2
135.11690	51.0
137.05991	68.6
137.09612	7.4
139.07559	3.1
143.08551	3.0
150.96884	90.3
151.03926	10.2
151.07510	4.0
151.11150	4.6
153.09044	3.1
155.97423	66.3
161.09601	36.4
167.07028	3.6
173.98473	59.9
179.10664	100.0
197.11739	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1322
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05513	2.1
67.05490	1.0
69.07035	0.6
80.04974	0.6
81.07050	1.2
91.05466	3.2
93.07043	1.0
95.08589	1.1
96.08998	0.6
102.23904	0.6
105.07039	2.8
107.08583	2.7
111.98470	1.4
112.61156	0.6
117.07034	0.7
118.13379	0.6
119.08585	1.1
129.06972	0.8
132.95827	3.2
133.10112	2.9
135.11691	3.4
141.06973	6.3
143.08546	0.9
150.96881	3.7
151.11201	0.8
153.07010	0.6
154.07710	1.1
155.08542	31.6
155.97418	2.6
156.09305	4.0
161.09564	1.0
162.13506	0.6
167.08539	4.1
168.09294	4.7
169.10114	19.0
173.98521	1.2
179.10648	6.7
180.14728	0.9
182.10895	23.0
195.11661	1.0
197.09540	3.7
197.11763	6.0
197.13258	100.0
217.90913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05523	18.9
55.10091	0.8
57.03448	0.9
57.07080	1.2
58.11778	0.8
62.33136	0.8
67.05511	38.7
69.07067	21.9
71.05000	9.2
75.60050	0.8
79.05496	11.4
81.07062	61.8
83.04998	2.2
83.08620	18.5
85.06537	16.0
87.04443	0.8
91.05488	10.5
93.07042	13.7
95.04992	1.0
95.08609	100.0
97.06532	23.3
97.10183	5.1
99.08076	1.8
99.86054	0.8
105.07041	12.4
107.08595	8.5
109.10160	16.1
111.08076	2.3
111.98485	2.1
113.09595	1.0
119.08571	17.7
121.10148	4.4
123.08085	4.5
132.95831	3.9
132.99591	0.9
133.10123	18.9
135.11699	14.2
137.09608	2.1
137.13206	6.4
150.96904	5.6
155.08611	4.2
155.97430	4.0
161.09647	1.8
161.13254	28.1
169.10094	2.0
172.06902	0.9
173.98459	3.7
179.10724	8.5
179.14290	16.4
182.10927	1.1
197.09714	1.3
197.11731	7.6
197.13287	12.2
197.15375	14.9
197.17152	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03954	1.1
55.05523	18.9
55.10091	0.8
57.03448	0.9
57.07080	1.2
58.11778	0.8
62.33136	0.8
67.05511	38.7
69.07067	21.9
71.05000	9.2
75.60050	0.8
79.05496	11.4
81.07062	61.8
83.04998	2.2
83.08620	18.5
85.06537	16.0
87.04443	0.8
91.05488	10.5
93.07042	13.7
95.04992	1.0
95.08609	100.0
97.06532	23.3
97.10183	5.1
99.08076	1.8
99.86054	0.8
105.07041	12.4
107.08595	8.5
109.10160	16.1
111.08076	2.3
111.98485	2.1
113.09595	1.0
119.08571	17.7
121.10148	4.4
123.08085	4.5
132.95831	3.9
132.99591	0.9
133.10123	18.9
135.11699	14.2
137.09608	2.1
137.13206	6.4
150.96904	5.6
155.08611	4.2
155.97430	4.0
161.09647	1.8
161.13254	28.1
169.10094	2.0
172.06902	0.9
173.98459	3.7
179.10724	8.5
179.14290	16.4
182.10927	1.1
197.09714	1.3
197.11731	7.6
197.13287	12.2
197.15375	14.9
197.17152	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97249	0.3
56.05082	0.3
58.88651	0.3
60.08172	24.4
67.05479	0.3
68.05026	2.8
69.03440	0.6
80.05003	0.4
80.25140	0.4
82.01441	0.5
82.02953	0.4
83.05016	0.4
85.02901	2.0
87.04463	2.0
94.06624	0.4
95.06093	100.0
96.04509	0.5
97.02885	0.5
100.02493	2.1
103.02455	1.5
110.06012	0.7
110.07186	0.7
111.04420	0.4
111.05583	0.7
112.03968	3.9
118.03510	0.7
121.03493	0.5
124.03959	0.5
124.07603	0.6
129.57390	0.4
131.01961	0.7
131.96112	0.5
134.06071	0.4
138.05504	0.8
143.01970	0.4
143.03668	0.4
147.01450	0.6
148.03534	0.4
152.07091	1.7
154.13391	34.3
156.97479	1.7
157.03568	0.4
162.05591	0.7
170.03033	2.0
174.98587	1.7
175.04602	0.6
179.99055	3.6
180.06604	0.8
181.04916	0.5
198.00169	2.3
198.07605	5.4
198.09450	0.6
198.12416	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07754	0.2
60.08173	25.2
66.48101	0.3
68.05032	2.5
87.04482	0.4
89.61253	0.3
91.92673	0.3
95.06094	100.0
102.39832	0.3
109.03047	0.3
111.05502	0.5
112.03985	0.3
154.13393	37.8
158.14043	0.3
174.99081	0.4
192.52383	0.3
193.00226	0.3
198.07582	1.7
198.09566	0.8
198.12415	11.1
201.25415	0.3
217.91266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
55.05516	4.3
57.03446	3.0
57.07076	11.7
67.05507	17.6
69.06701	3.6
69.07072	100.0
70.89731	1.9
71.04996	3.8
71.08655	3.4
71.20335	1.8
72.08153	3.0
79.05502	26.6
81.07066	23.0
82.06564	2.1
83.04999	4.3
83.08620	17.6
85.06536	2.9
86.06066	13.1
93.07044	35.3
95.08619	19.5
96.08133	8.7
97.06536	28.7
100.07603	17.5
107.08595	46.9
109.10167	15.0
111.08094	20.3
111.11738	22.3
114.09163	14.7
115.96446	10.4
121.10136	5.0
123.86227	2.4
128.14333	4.8
132.95839	3.3
135.11694	90.4
141.62024	2.9
145.10136	5.0
150.96819	4.0
152.14337	77.5
153.12759	35.0
156.97617	3.3
163.11113	4.9
170.15390	16.3
177.46973	2.3
180.11087	2.9
180.13878	2.5
181.12141	2.7
198.14886	90.2
199.13329	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	30.6
57.07082	21.7
62.69260	2.4
67.05511	6.5
69.07072	40.5
70.06577	3.2
71.04999	3.8
71.08638	5.8
72.08143	3.9
74.93822	28.5
79.05490	4.1
80.98802	2.5
81.07072	21.4
83.08624	76.7
85.06533	4.3
85.10170	2.4
86.06059	13.1
92.94856	10.1
93.07042	15.1
95.08606	21.8
97.06516	23.2
97.10167	54.2
100.07634	17.9
107.08582	20.3
109.10137	9.6
111.08077	11.3
114.09133	19.0
115.96432	100.0
121.10134	21.9
123.11708	4.7
125.09637	13.0
128.10724	5.6
133.97485	29.6
135.11670	10.3
139.14841	2.9
140.11551	3.9
156.99101	4.6
157.14203	3.7
163.14786	54.3
180.13858	2.9
181.15897	25.7
198.05365	3.2
198.14903	3.2
198.18526	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99761	1.7
55.01878	2.4
55.05516	30.0
56.05033	1.9
57.03440	2.4
57.07088	34.7
58.06602	2.0
64.91979	2.0
67.05507	13.6
69.07076	56.6
70.06593	2.4
71.05020	7.1
71.08614	9.8
72.04521	3.3
72.08167	8.8
74.77135	1.9
74.93832	2.8
79.05491	7.9
81.07066	32.3
83.04978	2.3
83.08126	3.8
83.08627	100.0
85.06557	3.1
85.10184	3.1
86.04292	2.0
86.06073	12.2
86.09685	2.9
93.07062	19.0
95.06133	2.1
95.08611	18.8
97.06528	26.5
97.07644	4.3
97.09579	4.0
97.10165	58.5
99.08105	2.6
100.07623	25.5
107.08601	23.1
109.10142	9.4
111.08089	21.4
112.08717	5.2
114.09174	24.8
114.10350	2.6
115.96460	30.3
121.10144	19.4
123.11698	10.8
125.09639	10.9
128.10725	12.1
133.97517	14.8
135.11717	8.5
138.10249	4.9
139.11177	2.0
139.14891	3.4
142.12282	8.4
156.09723	2.6
156.17482	9.4
163.14824	68.2
180.17538	2.2
181.15869	33.8
198.18536	95.4
198.22203	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46626	1.1
55.01864	1.8
55.05514	21.1
56.61297	1.1
57.07091	12.9
65.43999	1.5
66.09190	1.7
67.05520	2.8
69.07072	23.6
71.04976	1.9
71.08619	6.5
72.04527	1.7
72.08152	3.5
72.67071	1.2
74.93832	29.1
78.38951	1.5
79.05479	2.6
81.07063	17.9
83.04975	1.4
83.08626	43.6
85.06535	1.6
86.06068	6.0
92.94832	10.2
93.07049	6.4
95.08595	11.2
97.06519	11.0
97.10168	27.3
100.07618	12.4
107.08586	13.2
109.10144	5.8
110.95910	1.3
111.08075	8.2
114.09162	9.4
115.96440	100.0
121.10140	11.2
123.11661	3.2
125.09608	5.9
128.10748	4.8
133.97478	36.1
135.11708	5.7
142.12302	3.1
156.17479	1.5
156.99072	1.7
163.14813	27.9
180.11093	1.4
181.15929	17.5
193.53842	1.6
198.15100	1.9
198.18526	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	13.5
56.77509	1.1
57.03444	1.6
57.07085	14.4
57.93584	1.5
63.65881	1.2
67.05508	2.6
68.82181	1.4
69.07070	17.1
71.08644	6.1
72.08148	1.9
74.93825	26.6
79.05514	2.8
80.24581	1.4
81.07075	10.7
83.04981	1.9
83.08624	31.2
86.06049	6.1
91.33086	1.3
92.94825	4.7
93.07040	5.8
95.08604	7.2
97.06528	8.0
97.10168	19.6
100.07628	8.5
107.08617	12.6
109.10136	2.9
111.08085	8.4
111.11700	1.8
114.09166	9.5
115.96441	100.0
120.93527	1.5
121.10144	6.6
123.11647	1.8
125.09650	7.2
128.10727	6.8
133.97481	34.6
135.11696	11.5
139.11151	1.9
139.14825	1.8
142.12219	1.8
152.14377	2.6
153.12683	2.1
156.17575	2.0
156.99100	2.8
163.14795	27.9
174.98920	1.5
181.05310	1.4
181.15811	11.6
185.24782	1.5
198.14906	7.0
198.18541	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	50.0
57.07088	31.8
62.00555	2.6
67.05508	12.5
69.07077	57.8
71.04999	5.6
71.08630	13.8
72.08158	6.4
74.04690	2.8
74.93840	25.1
79.05499	7.5
81.07066	39.9
83.04969	5.7
83.08627	100.0
85.06548	5.9
86.06087	25.0
92.94864	5.1
93.07043	20.2
95.03277	3.3
95.08593	19.3
97.06518	22.6
97.10178	68.2
100.07632	27.9
107.08604	34.4
109.10163	14.0
110.72978	3.0
111.08090	23.8
111.11713	5.5
112.03893	3.0
114.09173	28.8
114.27981	2.8
115.96445	99.8
121.10149	23.7
123.11682	5.2
125.09623	17.1
128.10750	16.3
133.97473	38.1
135.11678	14.6
136.81125	3.1
139.11195	6.8
139.14784	4.0
142.12294	5.6
156.17467	5.8
163.14818	80.0
181.15886	42.3
198.14995	3.3
198.18530	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	56.6
55.05751	5.7
57.07076	29.7
57.79049	7.8
68.07985	7.8
69.07085	58.2
69.10396	7.4
69.53685	6.6
71.05005	9.2
71.08644	7.3
74.93842	8.9
81.07043	36.9
83.04991	10.7
83.08615	100.0
84.70643	7.3
85.78764	6.5
86.06083	12.0
92.21466	12.5
94.16068	7.5
95.08604	29.0
97.06532	13.7
97.10143	66.5
100.07621	29.3
107.08598	41.4
111.08088	17.4
113.95502	8.4
114.09181	34.7
115.96423	64.1
121.10148	26.1
125.09605	13.1
128.10732	9.6
132.95782	12.7
133.95927	9.5
133.97411	9.4
150.96901	29.6
154.64781	7.2
156.97643	13.8
163.14842	70.3
174.98694	8.9
180.30626	8.1
181.15852	47.5
198.05469	10.1
198.18497	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63510	1.1
54.74365	1.0
62.60334	0.9
92.53370	1.2
96.06432	1.3
97.98730	1.2
98.97598	17.7
99.63212	1.3
101.00884	1.6
101.02575	5.3
115.97961	1.2
116.98619	7.0
119.01900	5.4
131.01924	2.5
133.01645	1.2
134.02963	2.4
134.99841	5.8
138.96425	5.3
153.00839	1.3
153.02101	1.4
156.97481	100.0
157.04605	1.4
157.97572	7.5
158.01329	2.0
167.02884	1.8
171.03122	2.4
174.98523	88.4
175.98578	5.5
176.03571	2.3
179.32631	1.3
179.98941	1.3
180.99219	14.4
196.51472	1.7
198.98557	22.9
199.00204	7.2
199.04425	1.4
216.99580	39.3
217.01382	2.1
219.02025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.6
55.46499	1.2
56.96583	1.7
62.67076	1.8
74.95885	1.4
75.34930	1.3
81.03433	17.5
82.99856	1.5
98.97584	100.0
99.04431	7.2
100.02496	2.0
101.00870	16.9
116.01936	7.2
116.97318	12.2
116.98618	73.5
118.03481	1.7
119.01926	87.0
131.99525	3.5
134.02995	36.9
134.99673	33.8
137.02960	22.6
140.00133	2.2
145.03409	3.4
152.03987	2.4
152.92369	1.5
152.96959	2.7
153.00656	3.3
156.97478	3.3
157.03459	33.8
157.04588	5.3
157.97464	2.1
158.01237	8.9
158.03600	2.2
158.04834	1.9
171.05022	3.3
172.04543	6.5
174.98537	2.8
175.04498	39.7
175.05925	1.9
175.98482	7.2
176.02327	6.1
176.04210	13.8
181.03458	2.4
187.04517	23.9
189.06187	1.7
190.71011	1.5
194.05063	7.3
199.04495	79.7
199.06027	5.2
205.05528	8.5
217.05547	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82928	3.0
54.01476	3.0
60.39387	3.1
69.07059	3.7
84.60273	3.2
88.04795	4.7
93.21477	3.1
95.04964	25.0
97.02872	4.2
98.97579	37.7
101.00884	19.3
101.02566	3.6
101.61954	3.2
102.05528	3.4
107.04981	3.6
109.01228	3.5
110.06028	4.1
112.03961	7.7
115.94965	3.2
116.97248	24.1
116.98622	21.2
118.00922	3.4
119.01917	90.2
121.07588	3.5
122.06026	14.8
123.04420	8.5
131.01886	8.4
131.99527	4.6
134.99649	14.2
137.02974	21.1
140.04694	100.0
140.07063	38.5
142.25912	3.5
145.03496	6.7
146.03592	7.2
152.96924	4.4
154.05029	4.0
154.08620	20.0
155.07065	5.8
157.03482	5.6
157.06107	6.4
157.97403	4.8
163.04590	5.0
164.04651	4.7
169.03421	5.3
169.05186	5.7
171.03191	5.2
173.03052	7.2
174.03061	4.5
175.04539	25.7
175.98555	24.7
176.04584	8.5
176.13168	3.8
181.04994	7.1
181.09651	6.7
182.04578	4.8
182.08109	13.5
187.04518	94.8
187.06160	7.8
199.04601	38.6
199.06190	7.0
199.07957	4.5
199.10654	27.2
199.14398	6.5
205.05646	28.3
217.05560	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78557	1.5
61.62460	1.9
67.05500	2.2
72.08126	1.9
95.04952	4.1
95.57337	1.7
96.06441	1.8
96.24843	1.8
98.97596	9.5
101.00875	21.0
113.00870	1.9
116.97229	4.1
116.98651	2.3
119.01919	63.8
123.04453	3.3
129.07147	1.7
131.01913	3.5
137.02960	14.1
140.04712	25.2
145.03476	10.1
146.03633	3.4
157.03424	3.5
163.04532	6.8
164.04645	3.3
169.03476	4.5
169.05183	7.3
171.05055	2.2
173.02888	2.4
175.04552	15.2
175.98592	3.1
176.04688	11.5
181.10828	2.0
182.04532	2.7
183.08867	1.8
187.04533	100.0
187.06110	6.4
198.00952	2.0
199.04488	28.7
199.07993	3.4
199.10852	2.7
205.05591	19.3
217.05568	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78557	1.5
61.62460	1.9
67.05500	2.2
72.08126	1.9
95.04952	4.1
95.57337	1.7
96.06441	1.8
96.24843	1.8
98.97596	9.5
101.00875	21.0
113.00870	1.9
116.97229	4.1
116.98651	2.3
119.01919	63.8
123.04453	3.3
129.07147	1.7
131.01913	3.5
137.02960	14.1
140.04712	25.2
145.03476	10.1
146.03633	3.4
157.03424	3.5
163.04532	6.8
164.04645	3.3
169.03476	4.5
169.05183	7.3
171.05055	2.2
173.02888	2.4
175.04552	15.2
175.98592	3.1
176.04688	11.5
181.10828	2.0
182.04532	2.7
183.08867	1.8
187.04533	100.0
187.06110	6.4
198.00952	2.0
199.04488	28.7
199.07993	3.4
199.10852	2.7
205.05591	19.3
217.05568	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23428	0.3
53.03952	0.5
55.01885	0.4
55.82434	0.2
62.42509	0.3
62.91985	0.3
65.03932	0.3
67.05497	1.3
77.03923	0.7
79.10054	0.3
86.57130	0.3
93.03395	0.4
95.04967	26.8
97.02884	0.5
98.97594	1.5
102.90513	0.3
105.04495	2.5
107.04981	0.6
107.36218	0.3
110.03611	0.3
111.04462	1.4
116.97228	8.1
116.98598	0.6
117.05880	0.3
121.02853	1.5
123.04430	13.9
125.02346	4.1
131.99536	3.2
134.95880	1.7
135.04420	1.9
137.05968	4.0
139.03899	1.3
140.04683	100.0
149.02383	0.4
152.96906	2.3
153.05453	1.3
155.07028	14.3
157.97520	1.7
159.29868	0.3
166.02547	0.5
166.54231	0.4
167.03355	1.9
170.97934	0.4
175.98508	6.2
181.04959	5.4
199.05960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
53.03947	1.3
55.01860	1.0
58.05131	0.7
61.02935	1.7
65.03949	1.8
67.05495	1.4
69.03436	2.0
70.06590	7.0
79.05509	10.6
83.04971	1.0
84.04523	1.4
91.05479	1.1
93.03404	1.8
95.04970	26.4
96.04467	1.3
97.06533	1.2
98.97585	10.6
99.04485	1.1
103.97374	0.8
105.04519	2.1
107.04960	43.2
109.07655	1.0
110.06030	1.1
111.04459	20.8
112.03985	1.0
114.51051	0.8
116.97230	23.4
116.98612	5.0
119.04925	0.9
121.02866	1.7
121.07614	18.5
123.04420	15.2
125.02335	4.2
125.06003	1.5
125.07101	8.3
131.99574	7.4
133.07607	4.2
134.95856	3.7
134.99706	1.7
135.04424	80.4
135.09146	15.7
136.03891	0.9
137.07091	4.6
138.09158	1.1
139.03914	41.5
140.04689	100.0
143.06367	1.0
145.07607	1.6
151.08656	3.5
151.98448	1.0
152.96904	6.4
153.05470	51.7
153.06709	1.7
153.10248	11.2
154.05013	1.4
155.03410	1.3
155.07034	14.5
156.06509	1.4
157.06139	1.4
157.97466	5.3
158.01163	1.0
163.03915	4.7
163.07388	1.2
163.08670	30.5
167.03409	1.3
175.98544	21.4
181.04961	7.5
181.09726	25.4
182.04475	1.6
199.05502	5.5
199.07697	1.0
199.10794	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0601
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
53.03945	1.8
54.07285	0.4
55.05501	0.5
56.51455	0.3
63.06673	0.3
63.32792	0.4
65.03957	0.7
67.05496	2.2
69.07056	0.7
77.03917	0.8
81.03409	0.4
81.07028	0.4
93.03397	0.6
95.04964	29.7
96.06438	0.6
97.02892	0.9
98.97579	2.5
105.04504	2.7
111.04403	0.9
116.97213	8.2
116.98590	2.1
121.02844	2.1
123.04420	16.7
125.02316	4.4
126.96062	0.5
131.99588	3.0
134.99648	0.7
139.02965	0.5
139.03938	1.8
140.04678	100.0
149.02333	0.8
152.96928	2.1
153.05452	2.2
155.07013	13.2
157.97406	0.5
167.03375	1.7
170.98065	0.4
173.08093	0.6
175.72723	0.5
175.98524	5.7
181.04901	4.4
182.04495	0.5
199.05994	2.5
205.31865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0752
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
56.96558	0.6
61.56686	0.4
62.40654	0.4
69.07063	0.9
73.88283	0.4
74.09728	1.0
86.09698	6.2
98.97577	13.4
112.07590	1.9
115.05444	0.8
116.97258	6.3
116.98612	10.7
128.06207	6.6
131.99550	2.1
134.63365	0.4
134.99644	5.4
140.00197	0.6
141.06992	3.8
143.08554	1.0
152.96902	1.8
153.00665	0.8
153.05499	0.5
156.05658	6.4
157.10101	0.8
157.97495	1.6
158.01189	1.8
168.02090	0.7
168.05704	2.8
169.06427	0.5
171.08034	4.9
175.98492	5.7
176.02296	0.6
184.03516	1.0
184.05188	31.7
199.07533	100.0
199.14819	2.5
199.18059	1.9
203.62393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0753
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
50.42620	0.3
53.36144	0.3
71.56183	0.3
98.97596	3.9
115.05441	1.6
116.97215	0.5
116.98622	2.4
128.06219	5.7
134.99654	0.7
140.00104	0.4
141.06981	2.0
143.08556	0.7
156.05692	6.5
168.05743	3.6
169.06494	0.3
171.08023	4.5
175.98524	0.4
184.05197	38.4
197.73698	0.3
199.07538	100.0
199.14740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Diplobifuranylone B
Peak:m/z	Relative Intensity
53.03954	2.3
53.08341	0.5
55.01875	3.1
55.05511	2.8
57.03435	2.6
57.07084	0.7
61.02923	1.0
65.03937	2.5
66.79205	0.5
67.05505	4.0
69.03439	12.6
69.07064	3.2
71.01333	1.4
71.04997	3.8
73.02895	0.9
79.05508	4.4
80.04143	0.7
81.03429	5.0
81.07071	4.4
83.05006	4.7
83.05381	0.5
85.02901	4.7
85.06548	2.2
86.39309	0.6
91.05464	0.9
93.07037	4.0
95.01351	1.0
95.04969	39.2
95.08610	3.1
97.02892	11.6
97.06522	4.4
99.04436	1.1
101.02416	0.7
103.03963	0.7
103.57967	0.5
105.04510	2.8
105.07044	0.9
107.04960	2.1
107.08578	4.7
109.02874	1.2
109.06529	14.1
111.04477	6.8
111.08083	3.0
113.02351	1.2
113.05990	1.3
115.07564	0.6
116.97237	3.0
116.98608	1.1
117.07022	1.4
121.02869	2.5
121.06491	3.5
123.04437	18.0
123.08028	1.3
125.02353	3.8
125.05991	1.4
126.43076	0.7
127.03899	2.4
133.06531	0.7
135.08055	3.6
137.05989	1.0
137.07925	0.9
139.03893	1.2
139.07556	5.3
140.04689	100.0
140.62105	0.6
141.05463	3.0
141.09091	0.9
149.02324	0.8
151.07550	4.0
151.08708	0.7
152.96896	1.1
153.05527	0.8
153.09053	2.4
155.07033	16.6
163.07518	4.5
167.03409	0.9
169.08604	0.7
175.98494	1.1
181.04977	7.1
181.06856	9.7
181.08574	4.8
199.05927	1.0
199.07854	2.1
199.09663	10.5
205.60413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0964
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
50.93208	0.3
52.82012	0.2
53.03958	0.6
53.78174	0.2
53.91401	0.2
55.01878	1.2
57.27321	0.3
65.03936	0.5
67.05499	0.6
69.13461	0.3
69.53237	0.3
77.03947	0.5
79.05482	1.8
81.03433	0.4
81.07052	0.4
83.05038	0.3
91.05481	18.3
93.07043	20.9
95.04971	4.4
97.06548	0.8
98.96868	0.3
98.97577	1.8
99.04459	0.3
103.04824	0.4
103.05478	11.0
105.03432	0.4
105.04524	1.6
106.04340	0.3
107.04946	0.5
107.08614	0.6
109.06474	0.8
110.03634	0.7
111.04440	0.7
116.97231	3.7
116.98606	0.6
119.04960	3.5
120.05723	2.9
121.06507	29.6
123.04468	1.5
123.08033	0.5
124.05190	0.4
125.05971	2.0
125.09645	0.4
131.04901	0.6
131.06050	0.6
131.99564	1.3
133.02840	0.7
134.99628	0.4
135.08022	0.7
136.05215	0.5
137.05995	2.9
138.06770	3.1
139.03941	0.5
139.07538	1.3
147.04404	0.7
148.05182	3.7
149.05978	10.6
151.03894	3.5
151.07539	0.5
152.96922	0.8
153.04253	0.4
153.05482	0.4
153.09102	0.4
153.29105	0.4
157.97469	0.5
166.06244	24.4
167.07043	0.7
175.98546	3.1
181.08589	100.0
186.02986	0.3
188.74474	0.4
199.05945	0.7
199.07567	0.4
199.14615	0.6
199.17921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0964
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
53.03953	1.1
55.01868	2.9
55.05502	1.1
57.93554	1.7
62.05658	0.7
79.05495	1.2
81.03405	1.7
81.07025	1.4
83.04990	1.0
91.05480	13.3
92.68047	0.8
93.07037	23.4
95.04967	6.3
97.02895	1.3
98.96157	1.5
98.97572	20.5
99.04468	1.0
103.05462	9.4
105.04454	1.3
107.04941	0.9
107.08574	0.9
109.06512	1.1
111.04436	5.6
111.55143	0.8
112.79752	0.9
113.98526	1.1
116.97220	51.6
116.98563	16.8
119.04945	2.0
120.05725	3.2
121.06500	31.9
123.04467	1.3
125.05988	3.5
131.99544	18.5
134.95851	5.3
134.99648	7.4
135.08076	1.2
137.05933	4.0
138.05096	1.4
138.06778	4.4
139.07526	1.7
140.04652	1.0
148.03386	0.8
148.05182	1.8
148.96217	1.0
149.05965	12.1
151.03882	1.9
152.96924	13.3
153.05440	1.4
157.97464	9.7
158.01273	1.8
166.06241	19.0
168.56529	1.5
170.97932	1.3
173.70599	0.8
175.98512	49.5
181.08577	100.0
185.06296	1.1
185.29958	0.9
191.57903	0.9
199.07617	1.5
199.09441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1077
Annotation	Pedatisectine D
Peak:m/z	Relative Intensity
54.47076	0.9
59.03754	1.0
60.04517	2.1
61.02928	7.1
66.03464	1.0
70.02931	1.3
70.06583	1.3
71.04968	1.0
79.05473	0.9
80.05023	1.4
95.04922	1.0
95.06072	1.0
98.78622	0.9
98.97580	6.8
106.77296	0.9
107.04964	2.3
108.06824	1.5
109.07650	7.4
111.04393	1.2
112.03967	3.9
116.97210	13.6
116.98605	3.8
118.06548	2.2
119.01897	2.0
120.08083	6.8
121.07628	55.8
124.03964	1.0
125.07113	5.8
129.06589	5.0
131.99568	4.2
133.07608	12.3
134.08374	1.5
134.99658	1.3
135.04405	6.1
135.09178	48.5
135.10165	2.1
136.07578	5.1
137.07076	11.9
139.03894	5.0
140.06999	1.3
145.07620	9.2
146.06024	1.4
151.08704	7.8
152.96895	4.9
153.05438	4.7
157.03470	1.5
157.06097	9.9
157.97334	1.5
163.08656	100.0
164.03311	1.4
164.07072	2.0
171.07683	1.6
175.98477	11.5
181.06497	1.0
181.09708	48.6
182.04449	14.6
194.82985	0.9
199.04497	2.3
199.07135	2.1
199.10779	64.5
199.88806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.54827	1.0
55.05515	8.4
56.96553	1.1
57.03428	1.1
57.07088	10.0
67.05502	1.8
69.07075	2.0
72.04495	1.2
79.05515	1.8
81.07066	2.7
83.04990	4.6
85.06543	3.0
93.07041	7.6
95.04965	1.7
95.08614	8.9
97.06529	2.0
97.21143	1.4
98.97576	17.3
102.09196	18.0
105.07001	1.9
107.08601	11.9
109.06574	2.7
111.04440	64.5
111.08078	2.5
113.06024	1.4
116.97234	7.3
116.98617	9.4
117.07059	2.2
119.08559	1.8
125.05997	13.3
127.07591	1.6
129.07042	2.8
131.08572	5.1
131.99562	1.8
134.99712	5.4
135.08067	7.3
135.11703	15.4
143.08546	12.2
145.10129	16.5
153.12733	5.5
153.52878	1.3
157.10149	15.7
158.15396	100.0
163.11157	13.2
171.11673	5.3
175.98486	8.9
176.02383	2.4
181.12248	20.3
184.12392	1.6
199.07611	2.1
199.11150	8.7
199.14847	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23399	1.0
55.05513	4.8
56.96568	1.4
59.60670	1.0
60.37253	1.0
67.05495	5.7
67.07346	1.0
69.07064	2.2
69.30597	1.0
74.09715	2.4
79.05502	4.8
81.07049	4.7
83.08611	5.3
91.05470	6.3
95.08611	4.1
98.97578	36.0
99.30102	1.2
102.20496	1.0
105.07016	5.8
107.08597	2.7
111.04407	2.3
115.96404	1.1
116.96442	1.4
116.97248	31.3
116.98597	29.1
117.07013	24.0
119.08540	4.0
128.06200	2.5
128.67326	1.1
129.07001	11.8
131.08568	21.1
131.99532	12.5
133.10149	2.1
134.95816	2.6
134.99657	16.3
135.11647	1.4
140.00160	2.1
143.08575	25.3
145.10136	13.2
152.96901	8.1
153.00714	1.6
157.10114	31.2
157.97488	6.7
158.01311	4.2
158.15388	7.3
168.02155	3.7
171.11679	8.9
175.98502	23.9
176.02374	3.9
194.03540	1.1
199.11098	5.0
199.14809	100.0
199.66800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1481
Annotation	Vetivazulene
Peak:m/z	Relative Intensity
55.05503	2.3
57.93557	1.6
67.05502	3.0
69.07063	5.8
74.09708	5.3
74.95029	1.3
75.94582	1.4
79.05476	2.7
81.07044	5.4
83.08627	2.6
91.05466	5.0
93.07053	5.4
95.08600	2.2
98.68465	1.3
98.96207	2.3
98.97581	62.8
105.07021	2.9
107.08522	1.3
111.04428	7.6
112.04002	1.2
115.96464	1.8
116.97240	62.7
116.98601	62.2
116.99442	1.8
117.07016	24.0
119.08549	2.9
128.06190	2.0
129.06993	31.9
131.08560	15.7
131.99554	23.2
133.97455	1.2
134.95842	2.8
134.99649	43.2
135.11652	1.8
139.98816	1.3
140.00171	3.1
143.08557	26.8
145.10136	8.9
152.96933	26.4
153.00713	5.2
157.10110	25.2
157.97464	14.9
158.01245	13.6
158.15375	9.3
163.08563	1.8
168.02119	6.9
170.97911	2.3
171.11639	10.7
175.96947	2.0
175.98505	58.4
176.02274	9.3
181.12172	2.2
199.00053	3.0
199.07518	4.8
199.11160	17.6
199.14815	100.0
199.17789	2.8
206.60039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	Vetivazulene
Peak:m/z	Relative Intensity
55.05495	1.1
63.55247	1.2
67.05499	1.9
69.07057	2.1
69.35193	1.2
73.73013	1.1
74.09723	1.2
74.88183	1.3
79.05502	1.7
81.07044	6.0
83.08619	2.5
91.05484	2.6
93.07037	1.7
95.08607	5.7
98.97588	19.9
105.07022	2.8
116.97238	8.9
116.98627	12.0
117.07020	17.4
119.08569	2.6
126.53271	1.3
128.06143	1.5
129.07004	11.0
131.08578	21.2
131.99490	1.5
134.99660	7.3
142.07838	1.6
143.08557	19.1
145.10162	9.5
152.96916	2.3
155.08554	1.9
157.10132	31.8
157.74326	1.4
168.02243	1.6
171.11621	12.2
175.98505	5.5
197.86964	1.3
199.07613	2.2
199.11111	5.8
199.14824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1481
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
50.16124	0.9
51.41809	0.9
56.96558	1.1
57.93559	1.9
64.99519	1.1
67.88536	1.1
69.07064	2.9
74.09727	2.4
78.70070	1.1
79.05501	1.4
84.44590	1.3
91.05448	2.0
93.07053	9.7
98.96188	2.3
98.97587	47.3
105.07028	8.7
107.08589	6.3
113.98463	1.1
115.96462	1.4
116.97232	66.0
116.98590	41.0
118.10378	1.1
119.08588	16.1
121.10058	1.4
123.86406	1.3
128.06244	1.9
129.06984	5.3
130.54337	1.4
131.08614	1.6
131.99544	20.3
134.95863	5.9
134.99661	19.6
136.58876	1.4
139.98827	1.7
140.00056	1.5
142.07776	6.4
143.08546	22.5
145.10197	2.3
152.96939	21.3
155.08469	1.1
156.09319	6.3
157.10132	44.4
157.97470	12.1
158.01222	7.2
158.15387	1.6
168.02150	4.1
169.10144	4.7
170.10902	2.7
170.97911	1.4
171.11690	15.4
175.98529	59.5
176.02313	6.0
184.12495	11.9
199.14822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89951	1.4
61.01217	1.8
62.72657	1.6
84.81709	1.9
92.53281	1.9
94.30042	2.0
98.97570	2.2
111.48296	1.9
113.00010	7.5
122.12686	1.9
146.02345	1.8
167.03452	44.7
182.05786	39.8
182.11731	2.4
183.11282	2.1
200.06854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
56.96557	1.5
59.19536	1.5
61.54090	1.4
67.05499	2.4
69.03421	3.1
69.07064	2.0
70.06586	6.3
70.67966	1.5
71.10712	1.4
74.06062	3.8
78.66022	1.5
80.05027	20.7
91.05487	7.0
93.07053	9.5
94.06561	6.9
97.02913	2.0
97.06540	1.9
98.06047	6.6
98.97589	7.8
108.08118	12.1
110.06025	10.3
111.08077	2.5
112.03951	3.3
112.07597	7.7
116.98580	6.2
121.05630	3.1
121.06509	77.8
122.06027	55.2
136.07590	70.1
136.08499	1.8
137.05927	2.3
138.09143	3.1
139.07495	2.4
140.07079	100.0
154.05063	2.4
154.08630	78.0
164.07042	17.4
168.06494	1.7
172.05986	2.9
182.08139	65.3
182.11812	2.1
183.04799	2.3
200.09167	82.5
200.10780	15.3
200.12715	3.8
200.20105	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68742	0.3
73.85704	0.3
76.93382	0.4
98.97593	1.6
116.98616	0.8
117.96004	2.5
120.90265	0.4
130.12477	0.4
131.59396	0.4
135.35670	0.4
151.59506	0.3
154.08585	0.8
156.08081	35.5
177.13596	0.4
200.10698	100.0
200.20201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55140	1.1
55.05524	9.3
57.03460	1.2
67.05505	45.6
69.07072	20.2
69.26468	1.4
71.04997	14.0
76.93368	2.5
77.89193	1.1
79.05502	5.1
81.07062	100.0
83.04977	1.2
83.08620	7.3
85.06547	26.5
91.05486	6.4
93.07049	2.3
95.08607	95.1
97.06522	2.2
99.08074	2.9
105.07033	8.4
107.08591	2.0
109.10172	1.4
116.97250	1.6
117.95978	17.2
119.08566	10.5
121.10165	9.1
123.11704	8.4
131.78821	1.3
135.11690	1.4
135.96977	2.4
136.51582	1.3
137.13268	8.3
141.55563	1.3
147.11682	26.2
153.12682	1.7
162.99986	1.5
165.12767	22.2
176.98804	1.9
183.13802	10.7
200.16508	5.5
201.14856	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29428	0.5
55.05519	8.6
55.70765	0.5
57.03441	0.9
57.07090	1.2
60.35640	0.5
61.35685	0.6
62.36788	0.5
67.05508	41.9
69.07073	20.6
71.04993	13.9
71.08618	1.0
73.88780	0.5
76.93349	1.0
79.05492	5.1
81.07061	93.4
83.04989	2.7
83.08620	7.0
85.06544	31.2
87.04481	1.0
91.05474	6.8
93.07058	4.6
95.08607	100.0
97.06539	4.5
97.10178	2.5
98.97617	0.8
99.08089	4.3
101.05996	0.7
105.07031	8.2
107.08585	2.6
109.10158	1.1
111.08118	0.8
114.21316	0.8
116.97221	0.9
117.95992	4.9
117.97552	0.9
119.08579	8.4
121.10132	8.4
123.08101	1.4
123.11681	7.6
135.11685	0.6
135.97043	1.4
137.13245	8.2
147.11682	27.7
165.12738	20.6
176.10728	0.7
176.98773	1.0
182.11823	0.6
182.15353	1.1
183.13806	10.1
200.09184	0.7
200.12434	0.6
200.14938	1.0
200.16469	3.8
200.18121	0.7
201.14877	8.4
202.83017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05520	8.8
57.03430	1.2
57.07076	1.5
59.06129	2.2
59.40991	0.9
63.15475	0.8
67.05511	36.2
69.07068	25.3
71.04996	13.3
76.93385	1.9
78.14537	0.9
79.05492	5.4
81.07063	94.6
83.08636	7.9
85.06549	28.2
89.91425	1.0
91.05484	7.5
92.21548	1.1
93.07051	4.3
94.14442	1.0
95.08608	100.0
97.06547	2.1
97.10161	1.6
98.97609	1.7
99.08086	5.2
100.08263	1.1
105.07029	8.9
107.08597	1.6
109.06596	1.1
109.10186	1.5
111.35851	1.1
116.97194	2.2
117.95992	15.2
117.97578	1.4
119.08569	8.2
121.10182	8.2
121.78658	1.1
123.11699	11.0
135.11720	1.4
135.97026	6.3
137.13249	7.8
147.11682	32.5
165.12766	19.3
176.98778	5.4
182.15385	2.1
183.13811	9.5
200.09282	1.2
200.16426	5.2
201.14780	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35670	0.8
54.94945	0.9
55.05518	7.4
57.03428	1.6
57.07088	1.4
67.05505	41.2
69.07070	22.9
71.04993	14.3
76.93370	2.2
78.58941	0.9
79.05483	5.8
81.07056	100.0
83.04983	1.9
83.08616	8.5
84.12498	0.9
85.06541	32.1
91.05470	5.8
93.07026	2.3
95.08601	98.2
97.06522	5.3
97.10182	1.6
98.97586	1.1
99.08103	3.9
105.07037	7.9
107.08595	1.7
109.06503	1.0
109.10175	1.3
110.20595	0.9
111.08096	1.0
111.75403	1.1
117.95981	11.2
119.08582	10.1
121.10136	9.1
123.08009	1.6
123.11674	9.4
135.11722	1.2
135.96986	4.5
137.13281	8.7
147.11681	31.2
153.12755	1.3
165.12730	24.3
176.98776	1.5
182.15425	1.3
183.13821	11.3
200.16458	4.7
201.14816	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35670	0.8
54.94945	0.9
55.05518	7.4
57.03428	1.6
57.07088	1.4
67.05505	41.2
69.07070	22.9
71.04993	14.3
76.93370	2.2
78.58941	0.9
79.05483	5.8
81.07056	100.0
83.04983	1.9
83.08616	8.5
84.12498	0.9
85.06541	32.1
91.05470	5.8
93.07026	2.3
95.08601	98.2
97.06522	5.3
97.10182	1.6
98.97586	1.1
99.08103	3.9
105.07037	7.9
107.08595	1.7
109.06503	1.0
109.10175	1.3
110.20595	0.9
111.08096	1.0
111.75403	1.1
117.95981	11.2
119.08582	10.1
121.10136	9.1
123.08009	1.6
123.11674	9.4
135.11722	1.2
135.96986	4.5
137.13281	8.7
147.11681	31.2
153.12755	1.3
165.12730	24.3
176.98776	1.5
182.15425	1.3
183.13821	11.3
200.16458	4.7
201.14816	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12727	1.3
55.05512	8.6
57.03444	2.2
59.05008	1.5
59.06093	1.5
67.05511	35.2
69.07065	23.4
71.05003	17.1
75.90482	1.6
76.33662	1.7
76.93365	7.5
79.05492	6.2
81.07064	89.2
83.04964	2.5
83.08612	8.7
84.08193	1.4
85.06547	21.1
91.05476	8.0
93.07035	3.3
94.94446	1.6
95.08610	100.0
97.06521	2.1
98.97566	1.9
99.08066	3.7
105.07067	3.9
111.75032	1.4
112.02968	1.5
116.97219	7.8
117.95987	40.9
119.08583	10.8
121.10127	7.3
121.31510	1.6
122.55784	1.6
123.11694	8.9
134.99687	2.2
135.11685	1.6
135.97026	9.3
137.13234	8.1
140.66223	1.8
147.11693	31.0
165.12741	20.2
175.98383	1.5
176.98737	3.7
182.15529	2.3
183.13795	12.9
200.16518	6.8
201.14885	6.7
204.79285	1.5
208.02362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.0
57.03423	0.8
57.07072	1.3
67.05508	38.0
69.07073	22.3
71.04997	14.5
71.08623	1.7
76.01810	1.0
79.05495	5.2
81.07063	97.4
83.04993	1.9
83.08622	6.3
85.06549	31.2
91.05451	7.0
93.07050	2.1
95.08606	100.0
97.06522	2.5
97.10139	1.4
99.08101	4.7
102.67287	0.9
105.07060	7.8
107.08598	1.8
109.06528	1.2
117.95985	1.1
119.08556	8.7
120.33916	0.9
121.10132	8.9
123.11717	10.5
127.07598	1.2
137.13269	9.0
147.11682	32.5
153.12709	1.5
165.12729	19.4
166.82953	1.2
182.15408	1.2
183.13805	13.6
189.35356	0.9
200.16476	6.1
201.14836	9.2
203.84790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.07064	2.5
61.57248	1.2
64.93316	1.3
66.58542	1.3
67.05510	33.0
69.07067	23.0
71.04996	13.8
76.93378	12.1
79.05498	6.8
81.07059	91.2
83.04984	1.9
83.08630	9.1
85.06078	2.1
85.06545	30.3
86.40356	1.4
91.05472	6.8
93.07064	3.2
94.94394	2.1
95.08602	100.0
97.10182	1.8
99.08069	2.6
99.90357	1.3
105.07037	9.6
107.08569	2.5
109.10144	1.6
111.01363	1.5
116.97202	11.4
116.98632	2.3
117.95984	48.8
119.08584	10.9
121.10143	8.0
123.11684	8.8
131.99522	2.3
132.96317	1.5
134.27199	1.5
135.97031	24.5
137.13240	6.0
147.11667	26.1
152.96982	2.4
165.12758	21.1
166.07683	1.8
168.58925	1.5
175.98520	5.5
176.98802	7.9
182.15547	1.6
183.13785	10.3
198.50237	1.7
200.11137	1.6
200.12753	2.0
200.16539	3.4
200.20143	2.3
201.14879	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2008
Annotation	Halaminol B
Peak:m/z	Relative Intensity
57.07084	10.1
61.90514	1.4
69.07079	1.4
71.08619	6.2
74.06082	3.2
76.93364	5.7
81.07052	1.6
81.27601	1.2
85.60772	1.2
86.23180	1.2
88.07635	16.4
92.21468	2.3
102.09180	11.3
109.85593	1.4
116.10695	2.8
117.95992	9.8
200.20088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06829	0.8
57.07085	16.8
63.69802	0.6
65.21373	0.6
66.85903	0.6
67.05487	0.9
71.08634	9.3
76.93375	5.6
78.49590	0.6
85.10184	3.5
92.21497	0.9
94.67811	0.7
94.94392	1.6
95.08613	2.6
98.97551	0.9
112.57068	0.7
116.97210	2.9
116.98565	0.7
117.55193	0.6
117.95986	22.8
117.97562	0.7
134.99675	1.3
135.97011	9.4
153.96660	0.8
175.98573	1.0
176.98633	1.5
200.23738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08576	0.5
52.31648	0.5
53.10889	0.5
55.71535	0.5
56.36300	0.5
57.06824	0.8
57.07086	15.4
57.37928	0.6
64.31905	0.5
66.92427	0.5
71.08631	10.8
74.23846	0.5
76.93360	0.8
80.52276	0.5
81.07069	1.3
85.10191	4.6
90.86155	0.7
93.86411	0.5
95.08607	1.2
96.99401	0.5
117.95995	9.7
135.97026	3.2
165.12785	0.7
200.23738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37748	0.5
54.77747	0.5
57.06827	0.7
57.07082	14.0
58.24228	0.5
67.05517	0.6
67.71326	0.5
71.08633	9.4
76.93364	3.8
85.10184	4.6
92.45783	0.5
94.46210	0.5
94.94427	1.0
95.08585	0.9
116.97216	1.3
116.98595	0.8
117.95968	12.8
121.82219	0.6
135.97038	6.3
175.56572	0.6
176.98871	0.8
200.23727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0908
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.02647	0.4
55.33167	0.5
57.42136	0.4
61.18082	0.5
65.33080	0.5
66.60371	0.5
66.87509	0.5
75.92811	0.5
78.28171	0.5
90.72719	0.5
99.04473	0.8
115.05442	1.1
118.96748	2.7
129.06969	0.7
141.06998	21.6
143.08553	0.8
145.06416	0.8
158.07254	9.5
159.08134	0.6
168.05751	0.6
169.06485	15.1
170.07271	10.1
171.08000	0.9
172.05078	0.6
173.09598	2.7
177.98068	2.0
183.07941	0.7
186.06773	28.6
201.09105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
50.29691	0.6
55.95940	0.8
58.68145	0.8
59.11781	0.8
65.32991	0.9
67.05498	1.2
69.03430	3.5
69.27463	0.8
79.05460	1.2
81.07047	1.4
84.09360	0.8
85.27454	0.8
91.05455	1.4
92.21622	1.0
93.07042	1.4
95.08616	3.6
96.36670	0.8
100.57954	0.8
106.33364	0.8
107.08582	1.2
114.55292	1.0
115.05451	5.5
117.07005	1.8
119.08632	1.5
121.30386	0.8
128.06229	12.2
129.07027	0.8
130.04153	1.4
131.08594	1.3
135.04437	1.0
141.06964	1.3
143.04922	6.7
143.08563	31.4
143.09615	1.9
145.06477	4.3
145.10141	8.6
153.07030	1.5
158.03497	0.9
159.04445	3.5
159.11668	5.3
160.05202	11.0
167.31949	0.9
171.08047	38.6
172.05154	4.0
173.05989	34.8
186.03235	1.1
186.06776	5.1
201.05490	12.7
201.09108	100.0
201.12915	2.8
201.14645	20.2
201.16414	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1483
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.05518	6.6
56.94043	1.5
61.61517	1.3
67.05495	8.2
69.07069	21.7
74.16814	1.4
79.05499	2.3
81.07060	44.3
83.04980	3.3
83.08624	6.9
85.06535	18.8
91.05493	2.8
93.07037	11.4
95.08586	11.3
97.06524	3.1
105.07027	29.9
107.08599	23.6
109.06506	14.0
110.24774	1.6
118.96746	10.2
119.08585	17.7
121.10134	39.6
123.08057	11.8
123.11700	77.2
127.07555	15.2
133.99104	2.0
137.13243	8.9
141.06966	2.0
145.06425	6.6
146.56216	1.8
147.11684	100.0
158.03592	9.7
165.12753	53.7
173.05966	17.9
177.98074	8.1
183.13812	6.7
186.03090	8.1
201.05440	58.9
201.09108	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49197	8.8
59.82182	9.3
60.70848	8.5
70.61503	8.9
74.28380	8.5
76.48892	9.3
108.24551	9.3
108.41543	8.7
119.01911	81.3
137.02965	16.4
142.03532	45.8
161.02933	45.2
171.96770	10.8
179.04030	41.9
184.05562	11.6
202.06693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0863
Annotation	Simazine
Peak:m/z	Relative Intensity
57.03787	0.2
58.27296	0.1
86.06065	0.9
87.04475	0.2
88.34838	0.2
98.06007	0.3
99.04458	1.1
104.07103	0.3
116.07061	0.3
119.01912	0.3
124.07625	0.2
125.80541	0.2
139.07541	0.6
142.08646	0.4
156.08107	0.2
161.02832	0.2
166.08603	0.2
174.09155	0.7
178.98346	0.2
184.09663	0.8
202.08623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1436
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
55.05511	6.4
57.07074	5.1
67.05505	5.0
69.07079	20.5
72.08135	0.9
79.05492	8.4
81.07057	14.1
83.04954	3.4
84.06002	0.9
84.85787	0.8
86.06059	5.1
92.19816	0.9
93.07043	17.6
95.08607	6.5
97.06528	9.6
97.10175	18.7
100.07614	7.4
105.07008	0.8
107.08610	7.2
109.35743	1.1
111.11730	5.4
114.09193	1.5
114.12833	1.0
121.10139	54.9
121.11015	1.8
131.08618	2.0
138.12773	29.3
139.11182	36.9
139.12227	1.6
149.09593	10.1
156.13837	20.9
166.12286	5.2
167.10654	4.1
174.06422	1.5
184.13321	100.0
185.11687	1.9
187.03581	1.0
190.51833	0.9
202.05936	6.4
202.07562	1.0
203.12807	2.1
220.51398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52533	2.1
54.31946	2.2
55.05521	31.5
57.03432	4.0
57.07074	17.2
62.20510	2.1
63.00941	2.2
67.05503	13.2
69.07072	82.5
71.04989	5.1
71.08639	5.6
77.16326	2.4
79.05468	4.5
81.07072	22.6
83.05001	4.2
83.08627	84.4
84.17617	2.4
86.06059	4.4
93.07048	34.9
95.08601	21.9
97.06538	23.0
97.10178	18.9
100.07628	11.0
101.06008	2.7
107.08611	24.8
109.10128	21.0
111.08080	24.1
114.09162	9.8
121.10146	21.9
121.27271	2.1
123.11732	3.4
125.09640	5.9
125.13290	5.1
128.10747	3.1
130.84627	2.6
132.36571	2.9
142.15913	2.8
149.13260	100.0
167.14307	49.8
184.17007	17.7
202.12363	3.0
202.18036	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92480	0.4
53.99437	0.4
54.81170	0.5
55.05522	0.5
57.06829	0.5
57.07088	10.9
58.06600	2.5
62.06096	12.2
66.55511	0.4
71.08648	5.2
72.24474	0.6
73.75594	0.5
81.07018	0.4
85.10202	3.6
97.34739	0.5
137.37506	0.5
139.11200	0.6
144.99667	0.5
184.20598	10.0
202.12437	0.7
202.21666	100.0
217.69376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24706	0.5
55.22414	0.5
56.30484	0.6
57.07081	10.7
58.06588	1.1
62.05836	0.7
62.06095	11.0
71.04990	1.1
71.08653	4.6
72.04493	0.8
72.91448	0.5
74.47753	0.6
77.11008	0.5
79.05470	0.6
79.31313	0.6
81.07047	1.1
84.29145	0.5
85.10175	3.5
92.21468	0.7
93.06985	0.5
107.33010	0.7
139.11252	0.9
141.56552	0.7
174.09125	1.3
174.18477	3.5
184.16934	1.2
184.20586	9.9
185.00670	0.6
202.04942	2.9
202.12320	3.6
202.21652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
57.07082	9.8
58.06591	2.0
62.06097	12.2
62.15388	0.4
69.93085	0.6
71.08628	4.7
71.39055	0.4
71.41576	0.4
73.65772	0.5
85.10201	3.7
92.28529	0.5
105.81975	0.5
119.10417	0.5
162.50455	0.5
172.95772	0.5
184.20598	10.6
202.04982	0.7
202.12209	0.9
202.21658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	11.6
58.06594	2.7
62.05800	0.5
62.06102	11.8
63.73899	0.3
71.08645	4.3
76.32949	0.3
76.76070	0.4
77.88210	0.4
82.50317	0.3
85.10204	3.9
87.39527	0.4
133.06801	0.5
184.20598	10.3
202.12315	0.7
202.21666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58926	0.9
66.41522	1.2
66.57201	1.0
68.31467	1.0
102.00954	1.3
102.05541	1.7
105.59840	1.1
108.66628	1.2
114.05507	5.0
115.06943	1.1
119.01909	5.5
120.01987	10.0
125.02528	1.3
126.47344	1.1
138.96429	6.0
143.03586	4.9
155.87337	1.2
156.97470	61.2
161.02937	1.4
161.04655	1.1
161.98062	5.6
162.03029	2.2
168.48267	15.0
170.23053	1.1
174.98520	31.0
179.99069	100.0
180.04091	1.3
198.00107	45.7
203.05251	1.8
223.63557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	2.0
63.70131	1.5
67.05513	2.0
68.69610	1.5
70.06599	15.0
71.06090	1.8
74.06052	2.0
86.06055	2.8
87.60291	2.1
95.04952	2.1
98.06047	7.9
99.04469	13.2
99.06380	4.4
103.18071	2.0
114.05535	3.9
115.08704	2.2
116.07079	24.2
117.05481	10.3
117.07411	15.7
119.01905	14.8
134.02238	2.8
143.01877	8.3
143.08946	3.8
144.06602	3.1
157.03430	2.5
161.02969	18.1
185.02896	2.1
185.09976	2.9
195.04919	1.8
203.05283	100.0
203.08176	2.7
203.10989	10.6
203.15010	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80595	1.3
56.05988	1.4
62.97430	1.3
63.24437	1.3
65.94156	1.3
70.06581	23.2
71.06101	2.9
72.08139	2.9
84.08131	2.1
86.06050	7.4
86.09690	8.1
87.04440	2.5
87.06417	2.8
88.04768	1.8
88.08751	6.3
92.66785	1.6
98.06059	11.4
99.06404	11.1
100.07609	3.5
115.08698	1.9
116.07086	34.5
117.07420	20.7
119.01900	13.7
143.01920	8.4
143.08995	2.5
144.06606	6.9
145.03448	1.6
157.03477	2.0
158.12918	3.0
161.02965	17.8
203.05278	100.0
203.11064	9.9
203.15240	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.05519	11.5
56.05029	0.4
68.99805	0.7
70.06580	0.8
71.04980	2.0
72.62241	0.4
77.42583	0.4
81.03412	5.1
86.09702	15.2
87.00836	9.2
87.04463	0.9
99.04453	90.7
114.05546	1.9
117.05485	100.0
119.01951	1.5
132.10201	9.8
134.07414	0.4
141.05205	0.4
157.13332	2.4
162.05336	0.4
175.07523	0.5
185.04443	3.8
185.06467	0.6
203.05345	0.8
203.08186	16.3
203.13869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76606	0.3
53.03948	2.1
53.31166	0.2
55.05518	10.6
65.09858	0.3
68.99786	0.7
71.04986	2.5
81.03414	4.5
86.09709	2.2
87.00827	8.6
87.04448	0.7
88.65313	0.3
99.04451	91.9
105.01880	0.5
117.05485	100.0
120.96488	0.3
123.04657	0.3
128.63606	0.3
132.10208	2.8
143.05040	0.3
179.97858	0.4
185.04434	3.3
186.05461	0.4
203.06873	0.4
203.08485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.05276	0.7
55.05521	11.6
56.87285	0.4
71.04979	0.9
75.22164	0.4
81.03412	4.8
87.00832	7.6
87.04493	0.9
99.04455	95.2
117.05488	100.0
120.96537	0.8
128.06215	0.5
156.96141	0.5
163.37189	0.4
171.07968	0.9
175.07442	0.6
179.97798	0.8
185.04431	2.7
203.05284	0.5
203.06827	0.9
203.08452	0.9
203.10591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49651	0.5
53.03944	2.1
55.05516	11.3
62.89340	0.4
68.99786	0.7
69.03403	0.7
71.04976	0.8
74.23776	0.4
81.03414	5.2
81.06725	0.6
85.55374	0.5
86.09695	6.7
87.00829	8.0
87.04447	0.9
93.79245	0.5
99.04447	85.9
102.39120	0.5
117.05481	100.0
120.96484	0.6
132.10193	3.2
139.59196	0.5
185.04411	2.5
185.09979	0.5
203.05267	2.0
203.08232	5.9
203.11810	0.6
203.13911	0.6
214.97144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.05519	11.5
56.05029	0.4
68.99805	0.7
70.06580	0.8
71.04980	2.0
72.62241	0.4
77.42583	0.4
81.03412	5.1
86.09702	15.2
87.00836	9.2
87.04463	0.9
99.04453	90.7
114.05546	1.9
117.05485	100.0
119.01951	1.5
132.10201	9.8
134.07414	0.4
141.05205	0.4
157.13332	2.4
162.05336	0.4
175.07523	0.5
185.04443	3.8
185.06467	0.6
203.05345	0.8
203.08186	16.3
203.13869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.5
55.05522	12.0
67.20142	0.4
68.99805	0.7
70.06597	2.1
71.05000	2.4
72.08168	7.3
73.34237	0.4
81.03436	5.3
84.08153	0.8
85.53037	0.4
86.09699	0.8
87.00826	8.9
87.04452	1.0
89.94495	0.4
95.66100	0.4
99.04459	91.0
102.05544	0.9
108.19874	0.4
114.05534	1.7
116.07070	2.4
117.05493	100.0
129.10265	0.5
131.01611	0.6
140.14282	0.7
147.04366	1.8
157.06369	0.5
158.12881	0.4
168.06676	0.5
175.07478	0.5
185.04617	3.2
185.06006	0.9
186.14857	0.8
203.05307	1.4
203.06866	6.0
203.15054	0.8
218.91643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	L-Leucyl-L- Alanine
Peak:m/z	Relative Intensity
69.07067	0.4
77.39013	0.3
83.04970	0.2
86.09715	100.0
115.03951	0.3
130.06529	1.1
143.03410	0.3
143.08972	0.3
149.41473	0.3
156.97501	0.4
157.07610	5.4
172.87067	0.2
179.99120	1.1
185.07210	0.3
198.00145	1.1
203.05260	1.5
203.08235	3.9
203.11079	0.4
203.13873	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1389
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03944	0.7
55.05519	6.0
56.21422	0.4
60.81762	0.4
68.99788	0.4
69.07063	3.1
70.06586	0.9
71.04992	0.7
81.03412	2.9
86.06042	0.8
86.09706	100.0
87.00830	3.8
87.04457	0.6
88.03976	0.6
99.04453	44.0
107.08651	0.6
114.09203	0.8
115.05464	0.6
117.05489	50.9
119.01959	1.1
120.02034	0.5
120.08139	1.0
120.96507	3.3
129.07016	0.7
132.10202	67.1
140.70926	0.5
143.05037	0.8
143.20830	0.5
144.02982	0.6
144.06705	0.5
156.96280	0.6
156.97481	0.8
157.13354	17.2
160.05246	2.0
161.03099	0.7
161.05984	0.7
161.96799	0.6
171.04434	1.1
172.05215	0.8
175.07486	4.5
176.07132	1.1
179.97844	1.9
179.99167	2.1
185.02873	0.9
185.04520	1.9
185.06834	0.7
186.05446	0.8
198.00105	0.8
203.05240	2.3
203.08234	56.8
203.13860	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	(-)-Nootkatene
Peak:m/z	Relative Intensity
50.34378	1.7
55.05503	2.7
55.37842	1.6
67.05479	2.2
69.07080	4.2
72.02776	2.1
74.39656	2.1
80.22530	2.0
81.07051	9.5
83.08608	2.3
91.05470	3.8
93.07032	9.6
95.08614	14.2
105.07064	17.5
107.08582	10.8
108.74670	2.2
109.10143	9.6
119.08582	32.3
121.10139	11.0
123.33182	2.2
133.10117	31.5
135.11708	2.2
145.10106	2.1
147.11679	50.8
161.13234	36.3
162.03477	9.1
166.36060	2.2
175.14850	8.9
180.04483	10.6
185.13326	3.3
203.10631	2.5
203.14394	25.1
203.17947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05518	2.9
59.14200	1.5
59.50504	1.3
64.91406	1.5
67.05502	1.7
68.81271	1.6
69.07064	12.3
69.07575	1.3
72.37017	1.5
79.05502	3.0
81.07053	13.7
83.08611	3.5
91.05489	4.3
93.07024	4.2
95.08602	18.4
105.07026	22.0
107.08601	9.2
109.10155	16.3
115.05437	3.4
117.06992	3.5
119.08574	43.4
121.10137	15.0
123.11711	2.0
130.77528	1.7
133.10130	37.7
135.11714	2.6
143.04916	7.9
145.06439	4.4
145.10124	4.5
147.08006	2.1
147.11685	49.2
159.11702	3.9
160.05208	10.4
160.12474	4.1
161.13261	33.4
162.03369	8.1
171.04309	3.4
172.05164	3.2
175.07544	26.9
175.14809	2.6
180.04489	7.8
188.04688	3.3
203.07021	37.0
203.10696	2.8
203.14412	8.4
203.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0655
Annotation	Anibine
Peak:m/z	Relative Intensity
54.04231	0.4
56.55088	0.5
60.04528	3.7
62.05642	0.4
69.03412	0.6
69.93664	0.5
84.04483	2.2
85.02901	4.9
87.04459	0.5
87.74426	0.5
91.11562	0.5
96.04523	1.6
97.02885	3.6
99.04441	0.7
102.43839	0.5
114.05507	1.2
121.06483	2.6
126.05494	3.9
127.03895	0.6
128.04974	4.7
138.05566	1.0
156.04456	16.2
163.01819	3.1
168.06633	0.8
176.07053	0.7
181.02875	2.7
186.05502	100.0
191.70552	0.5
204.06554	73.9
204.08372	2.9
218.45296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0654
Annotation	Doryanine
Peak:m/z	Relative Intensity
50.05532	0.3
50.05756	0.3
51.71889	0.4
52.00370	0.4
57.17449	0.3
63.43264	0.3
77.72186	0.3
83.24521	0.3
85.02885	0.9
86.54404	0.4
92.33780	0.4
96.04506	0.5
126.05545	0.9
147.96790	0.5
161.86954	0.4
169.10716	0.4
172.03903	1.7
173.43867	0.4
174.05450	0.7
176.07065	1.7
189.04216	39.2
190.04964	3.8
204.06563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0654
Annotation	Doryanine
Peak:m/z	Relative Intensity
50.27262	0.5
51.22879	0.6
51.50613	0.5
55.85740	0.6
60.04513	0.9
89.47766	0.8
97.02881	0.9
102.88837	0.7
116.15831	0.6
118.06518	1.2
119.04958	2.7
126.05513	1.6
149.05965	4.1
161.04652	2.6
163.01813	1.5
168.68243	0.6
176.07059	100.0
181.02907	1.0
186.07668	0.8
203.06639	0.7
204.06552	69.8
204.13803	1.2
223.30878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0655
Annotation	Indolepyruvate
Peak:m/z	Relative Intensity
56.57496	0.4
60.04542	4.6
74.16074	0.5
84.04465	2.7
85.02911	6.0
86.06059	0.6
86.09695	0.8
86.88264	0.4
94.07655	0.4
95.08571	0.6
96.04462	2.8
97.02887	3.1
98.06045	0.7
102.05521	0.7
102.89042	0.4
103.05415	0.6
109.02798	0.6
110.06050	0.7
112.11191	0.7
114.05480	2.7
121.06520	5.2
126.05517	5.4
127.03911	0.6
128.04927	5.6
130.06456	0.7
138.05429	0.9
144.06512	1.0
145.04958	0.7
147.81836	0.5
156.04440	14.6
158.08080	0.7
158.11737	2.3
163.01778	2.9
181.02872	2.7
186.05501	100.0
188.55069	0.5
204.06573	66.5
204.08530	5.3
204.10077	4.4
204.15863	0.6
216.35297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0656
Annotation	Doryanine
Peak:m/z	Relative Intensity
50.35688	0.4
54.36242	0.4
60.04537	6.0
61.05211	0.4
63.21871	0.4
66.38364	0.5
68.05029	0.8
68.05367	0.4
69.03429	7.7
77.53848	0.5
83.92657	0.5
84.04498	2.3
85.02910	4.9
86.62488	0.4
91.00325	0.6
93.05756	0.6
96.04508	1.2
97.02884	3.1
98.97594	0.7
99.04452	0.5
107.04958	0.8
110.06044	0.5
112.11243	1.2
114.05490	1.2
120.08070	3.6
121.06505	1.1
126.05515	3.6
127.03930	0.6
130.06517	2.2
131.98508	0.5
136.03952	3.6
144.06599	1.2
145.06514	2.2
148.03946	2.1
148.07581	22.0
158.11739	4.5
160.07603	1.8
162.05521	1.1
163.01784	3.9
176.07027	6.1
180.04465	0.5
181.02861	5.2
186.05496	9.8
188.07103	0.6
189.07785	0.9
204.06567	100.0
204.09933	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85123	0.3
60.04535	0.5
70.14146	0.3
75.99679	0.3
85.02915	0.5
87.12854	0.3
90.01949	0.3
91.97172	0.3
101.37221	0.3
111.71436	0.3
121.06484	0.5
160.07558	6.3
160.88725	0.3
163.01848	0.6
168.13823	0.4
171.07007	0.3
174.05475	0.4
181.02849	0.4
186.14848	0.8
188.07036	7.4
189.07852	9.5
204.10193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02896	0.8
75.57081	0.7
84.06651	0.7
85.02882	1.1
92.20848	0.9
126.43137	0.9
146.06076	0.8
160.07587	27.9
163.01839	0.9
172.07541	1.7
182.51636	0.8
188.07077	27.6
189.07855	63.5
193.50079	0.8
204.06551	7.1
204.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02896	0.8
75.57081	0.7
84.06651	0.7
85.02882	1.1
92.20848	0.9
126.43137	0.9
146.06076	0.8
160.07587	27.9
163.01839	0.9
172.07541	1.7
182.51636	0.8
188.07077	27.6
189.07855	63.5
193.50079	0.8
204.06551	7.1
204.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Nigellimine
Peak:m/z	Relative Intensity
50.09809	0.2
52.38549	0.2
52.59356	0.2
60.04523	1.2
61.02924	0.4
61.50706	0.2
66.96126	0.2
69.03396	0.2
84.04483	0.3
84.29353	0.2
85.02905	2.4
94.76838	0.2
95.08615	1.7
96.04469	0.5
97.02879	1.0
99.04440	0.3
102.37777	0.2
112.21699	0.2
114.05492	0.4
121.06464	0.3
126.05505	0.9
126.09155	0.2
127.03886	0.9
130.06526	0.3
138.05501	0.3
141.09126	0.9
144.06531	0.4
145.06544	0.4
158.11774	1.1
159.10196	1.0
161.15665	0.2
163.01793	1.5
174.09137	0.5
175.07622	0.3
181.02832	0.5
186.05533	0.5
189.07843	1.3
204.10187	100.0
208.32048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Nigellimine
Peak:m/z	Relative Intensity
73.02896	0.8
75.57081	0.7
84.06651	0.7
85.02882	1.1
92.20848	0.9
126.43137	0.9
146.06076	0.8
160.07587	27.9
163.01839	0.9
172.07541	1.7
182.51636	0.8
188.07077	27.6
189.07855	63.5
193.50079	0.8
204.06551	7.1
204.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89203	0.2
55.74852	0.3
57.94289	0.2
60.04527	0.5
61.44078	0.2
79.81664	0.3
84.08163	0.4
85.02893	1.4
92.21024	0.4
97.02876	0.5
121.06524	0.4
159.06763	0.5
160.07562	6.0
163.01773	1.5
168.13802	0.6
181.02884	1.4
186.05481	0.5
186.15013	0.5
188.07065	7.6
189.06100	0.4
189.07826	10.6
190.34390	0.4
190.57323	0.3
200.05995	0.3
204.10196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.123
Annotation	Acetylcarnitine
Peak:m/z	Relative Intensity
60.05648	0.4
60.08167	12.7
61.02950	0.5
69.03412	0.4
70.06579	0.4
73.02920	1.7
84.04515	0.8
85.02905	100.0
86.06062	0.4
93.35143	0.4
97.02871	0.7
111.53017	0.4
114.05493	0.5
119.59267	0.4
121.01639	0.7
126.05525	0.8
127.03938	0.5
138.05482	1.7
139.06920	0.5
140.07040	0.4
144.06567	0.7
144.10204	2.5
145.04959	11.6
158.08138	1.7
162.03152	0.5
163.02609	0.4
173.02951	0.5
174.03151	0.4
177.60214	0.4
186.03082	0.4
204.04179	0.5
204.10004	1.4
204.12303	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26377	0.3
57.03418	0.3
60.04530	0.9
60.08173	14.6
60.08469	0.7
67.62067	0.3
69.03411	0.6
70.06598	0.8
72.08181	0.4
84.04505	3.4
85.02908	100.0
96.04478	0.7
97.02932	0.6
114.05515	0.7
121.01645	0.6
126.05535	3.7
127.03228	0.7
138.05458	2.5
140.07059	0.4
144.06563	1.3
144.10210	4.4
145.04962	10.1
158.08092	2.2
158.10403	0.4
158.11749	1.9
158.12912	0.8
163.01727	0.7
168.06512	0.4
181.02841	0.6
185.09688	0.4
186.06007	0.7
186.07550	0.8
204.06998	0.5
204.08739	3.0
204.10274	0.9
204.12247	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
52.60188	0.4
57.68819	0.6
71.04964	0.5
72.04864	0.5
76.19759	0.5
79.05489	0.5
89.03912	0.5
91.05478	2.4
102.04685	4.4
105.07004	0.6
105.72614	0.5
108.28717	0.5
109.06476	0.8
115.05431	3.3
115.06210	0.4
116.06250	0.9
117.03384	1.1
117.07045	0.8
119.04921	1.1
121.06501	1.1
122.69680	0.5
130.04144	18.2
131.04921	1.3
132.05719	11.3
134.03613	0.7
144.05717	1.1
145.02748	0.7
145.06473	3.6
147.04413	21.0
147.08101	0.7
149.02415	0.7
149.05972	1.2
160.05193	29.3
161.06033	6.8
162.03156	1.0
162.06786	6.5
172.05089	0.6
175.03896	19.6
175.07410	1.0
177.05450	2.2
177.09033	0.8
181.98009	0.6
190.06247	100.0
190.39281	0.5
205.05009	2.1
205.08600	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0858
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
82.87049	0.5
91.05473	2.7
96.49619	0.6
98.03167	0.6
102.04675	3.8
115.05432	4.1
116.06206	0.8
117.03387	2.7
117.06979	0.7
119.04949	1.4
119.08572	0.8
121.06466	0.9
127.01062	0.7
130.04137	18.0
131.04919	1.0
132.05707	10.7
133.06488	1.3
134.03590	0.7
135.04390	0.7
143.06049	0.9
144.05782	1.0
145.02864	2.3
145.06464	1.1
146.07274	0.8
147.04413	21.5
147.07993	2.2
149.02399	1.2
149.05928	1.1
159.60022	0.7
160.05191	26.1
161.06007	7.2
162.03139	1.5
162.06767	7.2
162.35040	0.7
172.05171	2.5
175.03888	18.7
177.05460	4.9
177.09177	1.0
190.02567	4.1
190.06245	100.0
205.05136	4.4
205.08597	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
62.18689	0.4
63.92945	2.3
65.66817	0.4
66.05524	0.5
71.26997	0.4
74.02432	0.9
78.95281	9.4
80.32339	0.5
86.07539	0.5
91.05482	0.6
97.95406	0.4
109.43966	0.4
115.05467	0.8
115.88356	0.5
117.05672	0.5
117.07015	0.6
118.06552	16.0
119.97885	18.4
122.94219	5.8
130.06514	2.2
131.52014	0.4
132.08102	7.9
140.95256	8.3
142.06538	1.1
143.07324	2.1
144.08093	17.9
146.06009	100.0
158.96320	7.5
159.09158	9.6
160.07603	0.5
163.96840	19.7
166.02820	0.5
170.06009	6.2
181.97906	14.8
188.07063	88.6
205.10652	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
55.01892	1.3
55.05505	0.9
57.03437	1.0
67.05501	5.0
69.03439	2.3
71.04989	4.4
73.63708	1.0
79.05498	8.0
81.07058	11.3
85.02924	1.7
85.06532	1.2
88.27380	1.3
91.05473	13.4
93.07044	14.5
95.04964	4.4
95.08614	4.1
97.06519	1.5
103.05416	1.1
105.07030	16.6
107.04956	7.3
107.08595	9.8
109.06522	6.7
115.86577	1.0
117.07021	9.4
119.08582	30.9
119.97885	1.7
121.06507	11.0
121.10140	20.3
123.08050	2.6
125.06018	2.3
129.06976	8.0
130.07762	5.3
131.08551	5.9
133.10109	4.1
135.08070	2.3
135.11696	4.6
139.79886	1.0
140.58578	1.0
143.08568	4.6
145.06461	2.6
145.10121	100.0
147.08046	77.1
147.11746	1.3
149.02304	2.5
149.13268	4.4
159.11670	13.4
161.09642	2.7
162.10466	1.8
163.11163	52.6
163.96773	4.0
169.10083	1.8
177.12723	14.6
187.11171	16.8
187.14720	5.1
205.08539	1.7
205.10260	2.1
205.12221	45.0
205.14059	2.2
205.15816	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45722	0.7
57.07080	0.8
70.06586	1.7
79.05530	0.9
91.05488	1.9
93.07032	1.7
103.05482	9.2
108.04572	0.8
115.05427	1.3
117.07030	9.4
119.97928	1.0
121.06483	5.4
122.06846	6.3
123.04409	4.0
131.04930	38.6
131.08572	1.5
137.05997	1.9
145.06491	24.8
149.05981	100.0
158.07225	1.0
159.08025	1.5
159.11717	1.1
162.06744	2.0
163.07538	42.9
163.96832	1.5
175.07527	1.6
176.08328	1.8
177.05469	1.0
187.11162	5.5
205.12239	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.45722	0.7
57.07080	0.8
70.06586	1.7
79.05530	0.9
91.05488	1.9
93.07032	1.7
103.05482	9.2
108.04572	0.8
115.05427	1.3
117.07030	9.4
119.97928	1.0
121.06483	5.4
122.06846	6.3
123.04409	4.0
131.04930	38.6
131.08572	1.5
137.05997	1.9
145.06491	24.8
149.05981	100.0
158.07225	1.0
159.08025	1.5
159.11717	1.1
162.06744	2.0
163.07538	42.9
163.96832	1.5
175.07527	1.6
176.08328	1.8
177.05469	1.0
187.11162	5.5
205.12239	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45722	0.7
57.07080	0.8
70.06586	1.7
79.05530	0.9
91.05488	1.9
93.07032	1.7
103.05482	9.2
108.04572	0.8
115.05427	1.3
117.07030	9.4
119.97928	1.0
121.06483	5.4
122.06846	6.3
123.04409	4.0
131.04930	38.6
131.08572	1.5
137.05997	1.9
145.06491	24.8
149.05981	100.0
158.07225	1.0
159.08025	1.5
159.11717	1.1
162.06744	2.0
163.07538	42.9
163.96832	1.5
175.07527	1.6
176.08328	1.8
177.05469	1.0
187.11162	5.5
205.12239	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45722	0.7
57.07080	0.8
70.06586	1.7
79.05530	0.9
91.05488	1.9
93.07032	1.7
103.05482	9.2
108.04572	0.8
115.05427	1.3
117.07030	9.4
119.97928	1.0
121.06483	5.4
122.06846	6.3
123.04409	4.0
131.04930	38.6
131.08572	1.5
137.05997	1.9
145.06491	24.8
149.05981	100.0
158.07225	1.0
159.08025	1.5
159.11717	1.1
162.06744	2.0
163.07538	42.9
163.96832	1.5
175.07527	1.6
176.08328	1.8
177.05469	1.0
187.11162	5.5
205.12239	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.88784	0.9
57.07079	5.3
59.38778	1.1
60.04535	1.1
60.38759	0.9
67.05495	1.2
69.03437	2.4
69.07059	2.1
78.95281	9.5
81.03396	1.4
85.02905	7.2
91.05469	1.3
93.07042	1.6
97.02906	6.7
103.05466	10.2
103.27280	1.2
105.07041	2.5
109.02875	2.6
117.07032	12.8
119.97909	16.5
121.06498	6.1
122.94225	4.5
123.04459	2.0
127.03909	5.2
129.07001	1.9
131.04941	44.1
131.08569	5.0
137.05975	1.8
140.95221	6.1
145.05231	1.7
145.06479	23.7
146.05998	5.8
147.08014	1.8
149.02422	2.1
149.05988	100.0
158.96317	8.3
159.08047	5.2
159.11694	5.2
161.06001	2.6
162.06750	5.6
163.07547	29.8
163.96869	19.6
175.07535	9.1
176.08340	3.0
181.97891	16.3
183.97026	1.3
187.07495	2.3
187.11153	6.4
188.07088	2.8
205.08466	4.6
205.10335	3.3
205.12221	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
62.85837	1.8
67.05503	9.4
73.56965	2.2
74.17909	2.1
79.05511	16.1
81.07053	18.5
83.04955	2.5
91.05496	17.5
93.07048	42.3
95.04948	2.4
95.08604	24.9
97.06539	10.4
105.07039	27.4
107.08601	40.1
109.06522	5.0
109.10157	9.5
112.83048	2.2
113.96370	4.4
117.07009	5.6
119.08618	16.1
121.06586	2.5
121.10117	23.8
123.08097	3.9
131.08586	31.2
133.10106	12.2
135.08037	3.0
140.98497	2.6
145.06493	4.3
145.10124	46.7
147.11661	12.0
148.50313	2.7
149.02345	11.9
159.11717	17.5
161.13240	28.8
163.96841	5.5
177.07370	10.2
181.97829	2.6
187.11311	3.2
187.14815	100.0
205.06902	4.4
205.12267	12.6
205.15889	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97881	0.3
74.06110	0.4
74.37983	0.3
82.35339	0.4
83.39075	0.3
86.06084	0.5
91.05502	0.4
97.02972	0.4
119.01908	1.5
119.04947	1.0
121.06474	0.4
121.30769	0.3
126.62292	0.4
132.04453	4.9
136.07578	0.6
137.02989	0.4
142.03500	4.4
146.05948	0.5
147.04407	7.3
147.06311	0.7
150.09103	0.4
154.04987	2.5
165.05478	0.7
178.04988	100.0
188.03487	0.7
188.07135	0.9
188.09149	0.5
189.07416	0.6
190.08586	0.7
191.09467	0.6
192.84323	0.4
205.37381	0.5
206.04482	57.8
206.08098	4.7
206.10153	1.2
206.11797	13.1
206.15404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
67.62644	0.2
69.97829	0.2
70.06573	0.3
72.37946	0.2
76.83408	0.2
78.54070	0.2
79.12878	0.2
80.38367	0.2
85.02874	0.3
104.05004	0.3
123.40790	0.2
132.04443	5.3
142.03465	1.0
144.04437	0.8
146.05933	0.2
147.04416	1.5
162.03130	1.1
174.05487	9.1
178.04982	100.0
191.05743	0.5
206.04492	58.2
206.08104	59.5
209.12048	0.2
225.55803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
50.69485	0.4
65.36782	0.4
92.19807	0.4
94.48702	0.4
108.04463	0.9
109.74091	0.4
119.01907	2.1
120.43317	0.4
142.03500	4.8
160.04120	2.9
178.04985	100.0
188.09270	0.6
206.04488	67.0
206.08185	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13761	0.4
52.63515	0.3
54.47436	0.3
54.53551	0.3
69.44423	0.4
82.73979	0.4
86.06030	0.4
90.91800	0.5
105.07001	0.4
108.04469	0.5
119.01926	0.9
119.04937	2.7
132.04459	6.1
132.08086	5.4
134.09688	0.5
142.03511	2.8
147.03310	0.6
147.04428	11.4
149.05905	1.8
150.06595	3.1
162.79128	0.4
165.05405	0.4
178.04982	100.0
191.05707	0.5
191.09349	0.7
197.60454	0.7
206.04480	62.5
206.07907	2.9
206.09502	2.9
206.11746	15.3
206.15338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
62.06092	0.2
68.78150	0.2
81.03430	0.3
85.99205	0.2
86.06058	0.3
98.67369	0.2
106.66927	0.2
119.04903	0.2
132.04463	5.2
142.03517	0.9
147.04425	0.2
147.06323	0.3
154.05000	0.4
160.07552	1.3
164.07027	0.4
171.41154	0.2
174.05853	0.2
178.04980	100.0
180.05357	0.2
188.07123	0.4
188.09183	0.3
188.10744	0.2
195.83800	0.3
206.04478	58.2
206.08008	9.0
206.11754	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55793	0.2
56.05574	0.2
58.06593	0.2
61.74436	0.2
69.66808	0.2
70.31145	0.2
76.07642	2.4
85.98230	0.2
102.05537	0.4
109.30537	0.2
118.47939	0.2
119.01908	0.5
120.08040	0.3
135.29089	0.2
142.03513	1.6
148.03951	1.3
154.16573	0.2
154.57355	0.3
158.02399	0.3
160.03999	1.1
160.18779	0.3
162.09102	0.4
163.09911	0.9
164.07082	0.3
176.03435	2.4
178.04987	41.2
188.03409	2.0
188.07190	2.2
188.12859	0.3
191.05856	1.9
191.09416	19.6
206.04492	71.6
206.08195	17.4
206.11763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88117	0.2
61.10364	0.2
66.02235	0.3
70.06596	0.6
91.05484	0.5
95.04897	0.3
119.04932	1.6
126.84626	0.3
132.04439	2.7
134.05927	0.4
142.03488	0.7
144.04387	2.0
146.06004	0.7
147.04405	8.7
147.06158	0.3
157.16559	0.3
162.03035	1.7
164.52223	0.3
165.05392	0.6
174.05486	17.6
178.04979	48.8
188.07088	0.3
191.05734	2.4
206.04526	30.1
206.08107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Integriquinolone
Peak:m/z	Relative Intensity
56.96572	0.3
64.72086	0.3
70.06580	0.5
70.64420	0.2
106.69559	0.3
112.78702	0.3
116.04929	0.5
119.01894	0.6
126.02697	0.3
134.03607	0.3
134.06108	0.3
142.03493	2.4
144.04428	1.6
146.06006	0.5
147.04416	2.9
162.03099	1.7
170.90672	0.3
174.05493	13.7
178.04993	0.4
188.08981	0.3
191.05730	1.9
191.17542	0.3
206.08122	100.0
206.15451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Integriquinolone
Peak:m/z	Relative Intensity
59.11300	0.5
59.59794	0.6
59.79054	0.6
60.46946	0.6
77.35009	0.7
78.44804	0.7
79.38039	0.6
80.96308	0.7
86.44697	0.6
91.05469	4.0
119.04945	4.9
122.22942	0.8
147.04430	1.0
149.05977	39.6
152.10320	0.8
175.03886	1.0
178.08661	0.8
188.07066	3.3
206.08122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.081
Annotation	Integriquinolone
Peak:m/z	Relative Intensity
51.88117	0.2
61.10364	0.2
66.02235	0.3
70.06596	0.6
91.05484	0.5
95.04897	0.3
119.04932	1.6
126.84626	0.3
132.04439	2.7
134.05927	0.4
142.03488	0.7
144.04387	2.0
146.06004	0.7
147.04405	8.7
147.06158	0.3
157.16559	0.3
162.03035	1.7
164.52223	0.3
165.05392	0.6
174.05486	17.6
178.04979	48.8
188.07088	0.3
191.05734	2.4
206.04526	30.1
206.08107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
56.05039	9.1
58.06607	1.9
62.06095	19.0
67.57838	2.0
69.03436	4.3
72.04512	3.1
74.05684	3.2
74.06079	59.7
77.10352	1.9
81.03433	3.5
82.06575	1.8
83.87241	1.8
84.04491	3.8
85.02899	4.8
86.06071	84.8
97.02882	27.2
97.31922	2.3
98.06065	17.4
99.04441	2.7
100.07629	3.5
101.00883	2.8
102.05526	3.5
103.03924	11.4
104.07055	2.2
110.06050	2.7
116.07052	4.4
119.01859	10.8
124.07622	8.6
126.05486	16.6
127.03893	4.8
127.59634	1.8
128.07097	23.8
137.02863	3.2
140.07048	13.0
142.03532	27.5
142.08653	10.2
143.05759	3.8
158.08119	26.5
170.08107	17.8
188.09180	77.6
188.10858	2.6
206.10220	100.0
206.12140	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1174
Annotation	Bellendine
Peak:m/z	Relative Intensity
64.56333	0.2
67.23091	0.2
70.06593	2.5
74.66463	0.2
84.41983	0.2
85.02900	0.2
86.06052	0.2
88.73960	0.2
98.03208	0.2
108.39342	0.2
119.01888	0.5
142.03510	2.2
145.08855	1.1
147.04431	0.2
147.06326	1.2
160.04593	0.3
161.08311	0.3
162.09125	4.0
170.62473	0.2
173.08350	1.3
174.09158	0.3
177.07867	0.4
178.04948	1.4
179.80014	0.2
188.07074	0.8
188.09138	0.3
188.10674	0.3
189.07401	1.0
190.08617	10.6
191.05719	0.5
191.09419	12.4
199.20738	0.2
206.04453	5.5
206.08109	6.2
206.11755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93062	0.5
65.43562	0.6
108.04476	0.7
119.01934	0.6
142.03537	4.0
147.03172	0.7
160.04198	0.6
160.08615	0.7
164.97231	0.6
178.04976	21.9
188.07100	1.1
191.09409	24.2
206.04474	20.9
206.08153	7.0
206.11763	100.0
210.25488	0.6
216.34729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42638	0.4
74.95135	0.5
80.04999	0.4
86.06046	0.5
90.54009	0.4
96.84638	0.5
97.55933	0.5
108.04511	0.6
117.66698	0.5
119.01897	2.2
124.03926	2.3
131.00409	0.5
131.01530	0.5
138.40872	0.6
142.03488	5.7
142.05017	0.7
145.08788	0.9
160.04572	0.8
160.09619	0.7
162.09117	4.3
162.56308	0.6
163.75322	0.5
172.26370	0.5
173.08310	0.9
176.05539	0.5
176.07002	0.6
178.05002	3.2
182.98000	0.7
182.99557	0.7
188.03296	0.9
188.07062	0.6
190.08640	10.0
191.05707	1.0
191.09401	13.0
206.04477	44.8
206.08383	8.7
206.11755	100.0
222.10515	0.6
226.40050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
56.32176	0.2
63.75258	0.3
70.06598	100.0
74.48601	0.2
95.95284	0.3
119.01905	0.5
119.04913	1.0
132.05292	0.7
132.86906	0.3
142.03502	0.6
147.04414	3.2
149.06042	1.0
150.06349	1.7
163.07454	0.3
164.07851	0.4
178.04974	0.4
178.08556	0.5
188.03400	0.3
188.07005	0.3
206.04518	4.5
206.08244	3.0
206.11745	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79328	0.3
74.06057	0.6
75.03259	0.3
86.06062	0.8
90.69536	0.3
101.00895	0.4
108.04482	0.5
119.01897	2.0
120.05605	0.4
128.07115	0.4
133.83159	0.4
137.78442	0.4
142.03497	2.3
145.08775	0.7
146.06059	0.4
147.04419	1.9
147.06328	1.4
160.07547	0.5
160.09506	0.6
162.09135	4.3
164.04501	0.8
173.08333	0.8
178.04929	3.0
178.08592	1.7
188.03452	0.4
188.07062	2.4
188.09183	0.6
188.10683	0.5
189.07364	0.9
190.08623	10.5
191.09393	11.3
206.04474	2.6
206.08141	7.8
206.11763	100.0
210.84334	0.4
224.00752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21218	0.3
92.20989	0.4
132.08064	0.4
145.08850	0.8
153.76062	0.5
156.60246	0.5
161.08360	0.4
161.79669	0.5
162.09120	4.7
173.08377	0.7
174.49821	0.5
177.07785	0.6
190.08623	13.2
191.09396	12.2
206.08171	4.5
206.11749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79328	0.3
74.06057	0.6
75.03259	0.3
86.06062	0.8
90.69536	0.3
101.00895	0.4
108.04482	0.5
119.01897	2.0
120.05605	0.4
128.07115	0.4
133.83159	0.4
137.78442	0.4
142.03497	2.3
145.08775	0.7
146.06059	0.4
147.04419	1.9
147.06328	1.4
160.07547	0.5
160.09506	0.6
162.09135	4.3
164.04501	0.8
173.08333	0.8
178.04929	3.0
178.08592	1.7
188.03452	0.4
188.07062	2.4
188.09183	0.6
188.10683	0.5
189.07364	0.9
190.08623	10.5
191.09393	11.3
206.04474	2.6
206.08141	7.8
206.11763	100.0
210.84334	0.4
224.00752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.3
70.06598	15.6
78.95289	1.8
80.05032	1.1
81.03420	1.3
85.02859	1.1
86.06065	2.0
88.07635	26.7
100.11212	1.7
102.09174	9.7
108.04490	3.9
119.01938	2.3
119.97880	4.5
120.08157	1.1
120.98257	2.1
142.03506	10.3
144.13837	100.0
149.05972	2.2
156.03557	1.1
158.96312	1.4
160.04185	7.2
160.09665	1.1
163.96860	2.6
164.07069	2.5
164.97179	4.6
178.04971	50.6
178.08507	1.3
179.42563	1.1
181.97891	1.6
182.98239	4.5
188.07196	1.2
188.09206	2.3
188.16467	5.8
191.05736	4.5
206.04492	49.3
206.08119	27.1
206.10072	3.5
206.11832	4.6
206.17508	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0288
Annotation	Pisonin D
Peak:m/z	Relative Intensity
56.99149	0.3
60.23211	0.4
65.03956	0.9
67.05477	0.5
67.97549	0.4
74.31094	0.4
79.05509	0.9
79.66800	0.4
91.05480	6.3
93.07037	1.7
95.04945	1.8
105.07069	0.8
107.08579	0.8
115.96417	2.1
119.04951	7.7
120.02032	1.7
121.02887	0.5
121.06525	1.6
123.04447	0.9
123.08028	0.9
133.02852	0.8
133.06412	0.5
136.05170	2.6
142.94838	0.5
143.03618	2.6
144.97624	0.4
146.03627	0.9
147.04411	7.1
147.11664	1.0
149.02336	2.5
149.05931	0.7
151.07568	3.3
153.11053	0.4
154.34940	0.4
163.03880	0.9
164.04681	8.5
171.11597	0.5
174.03214	1.8
175.03885	3.3
177.01834	15.9
179.03400	0.5
179.07039	7.8
182.02156	0.6
183.97604	0.4
189.12747	0.7
192.00562	1.6
192.04132	3.3
195.02849	1.7
207.02890	100.0
207.06409	19.6
207.13794	1.8
212.37076	0.4
228.82497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
54.09730	0.5
57.19888	0.4
58.10884	0.5
64.79283	0.5
65.03934	3.3
66.36251	0.5
73.91305	0.5
89.03932	2.5
91.05479	61.4
103.05469	2.1
103.50488	0.5
108.05742	0.9
118.04158	0.7
119.04941	100.0
124.59653	0.5
132.02061	5.2
135.04448	0.8
136.05190	2.3
137.56429	0.6
145.02841	2.4
146.03624	2.6
147.04408	86.4
149.02351	4.6
157.03963	10.2
160.01563	0.9
161.05981	2.0
162.03035	0.8
164.04680	5.8
174.03053	1.0
175.03899	91.0
179.07039	10.5
192.04187	10.6
207.06523	36.7
207.09705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
58.63454	0.7
58.96799	0.6
65.03951	1.6
65.88161	0.6
68.01803	0.7
82.15830	0.7
88.74887	0.7
91.05480	62.3
103.05450	0.9
105.03381	0.8
118.04105	1.2
119.04941	100.0
119.14149	0.8
129.03236	0.8
132.02089	3.6
133.02826	1.1
135.04350	1.0
136.05191	1.1
145.02850	3.6
146.03636	3.2
147.04410	81.2
149.02324	3.2
157.03981	9.3
162.03137	1.3
164.04686	4.9
174.03011	1.1
175.03899	86.2
179.06995	9.7
192.04237	6.4
207.06512	30.3
210.26436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
56.12934	0.5
58.26003	0.6
65.03944	3.4
68.22178	0.6
69.10725	0.6
72.73704	0.6
76.76403	0.7
85.02921	1.4
89.03920	1.2
91.05480	59.8
103.05417	0.8
104.02590	0.7
118.04166	1.7
119.04940	100.0
119.08620	1.1
121.97586	1.2
123.08051	1.1
129.03358	0.8
131.04958	0.7
132.02048	3.7
135.04370	1.0
136.05196	1.5
145.02901	1.1
146.03598	2.8
147.04411	89.3
149.02359	3.4
149.09587	1.6
156.09180	0.7
157.03957	10.5
161.05916	4.0
162.03192	0.7
164.04671	6.2
170.11899	0.7
174.03128	1.8
175.03899	93.3
179.07002	11.1
189.12901	0.8
192.04161	10.7
207.06506	39.8
207.08435	1.7
207.12019	3.4
207.13852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
54.84263	0.8
57.49377	0.7
57.75690	0.9
65.03940	2.2
69.20097	0.7
71.88747	0.8
78.12241	0.9
91.05480	57.5
95.24982	0.8
96.50191	1.0
103.05466	0.9
106.73644	0.8
119.04942	97.0
130.92961	0.8
132.02089	7.4
133.02798	1.0
135.04346	0.8
136.05234	1.4
145.02852	2.0
147.04410	82.3
149.02341	3.7
157.03978	12.7
160.01573	1.2
164.04697	3.7
174.03099	2.1
175.03899	100.0
179.06995	12.2
192.04184	11.7
207.06522	34.0
207.08437	1.6
217.42999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.04509	1.0
65.03929	1.7
66.47890	1.1
69.80756	1.2
88.64069	1.2
89.03908	1.3
91.05484	60.6
94.22579	1.3
103.05505	2.0
110.77904	1.3
119.04944	100.0
123.04379	2.2
126.29959	1.2
132.02029	1.6
136.05188	8.8
145.02882	1.8
146.03635	1.9
147.04411	83.1
149.02319	6.3
149.05997	4.6
150.06332	12.6
151.07547	6.7
157.03975	11.3
161.05966	2.8
163.03873	2.1
164.04686	23.3
174.03160	2.0
175.03911	70.2
179.07021	22.5
187.64980	1.5
192.04201	18.6
207.06535	58.7
207.08485	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
72.04517	21.2
80.05006	2.3
87.92484	0.5
88.75004	0.6
99.15301	0.5
100.82773	0.6
108.04489	4.0
119.05019	0.6
120.04440	0.8
120.08090	3.7
122.06086	0.7
126.05521	7.7
136.03943	100.0
148.03932	16.3
172.03894	6.1
172.53947	0.5
183.97516	0.5
190.04996	7.6
193.34465	0.6
207.04825	0.7
207.07658	2.6
207.11497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.59521	0.3
53.03955	0.5
64.87794	0.5
65.03936	0.6
65.16087	0.5
65.95171	0.4
66.66227	0.4
67.05495	0.9
69.03405	1.0
71.04994	0.7
79.05519	1.6
81.03427	0.7
81.07057	1.1
83.04961	0.5
85.02902	1.8
85.06548	1.2
91.05478	25.2
93.07042	3.0
95.04945	0.9
95.08612	0.7
95.60246	0.4
101.35497	0.5
103.05453	1.1
105.07026	13.4
107.04951	2.8
107.08588	4.8
109.02892	0.6
109.06503	4.5
115.05383	0.6
117.07044	1.2
118.04133	0.6
118.61967	0.4
119.04937	30.2
119.06831	1.0
119.08569	10.8
121.06462	2.1
121.10143	4.8
122.59654	0.4
123.08057	2.2
123.11699	0.7
124.62328	0.5
128.06201	0.8
129.06985	6.2
130.06474	0.5
130.07796	0.9
131.04919	2.1
131.06888	0.5
131.08539	6.2
132.02020	1.0
133.02876	0.6
133.06487	1.0
133.10135	1.1
137.09633	0.8
141.06982	0.6
143.08578	1.2
145.06514	1.0
145.10135	4.5
146.07275	3.2
146.10912	1.0
147.04407	24.6
147.06226	0.7
147.08052	4.4
147.11679	16.5
148.05197	3.4
149.02325	1.9
149.09619	3.3
151.07552	2.9
156.09360	3.6
157.03961	2.4
157.06480	1.9
159.08037	2.0
160.08849	0.7
160.95859	0.5
161.05965	100.0
161.09586	24.8
161.13181	1.8
163.11169	3.8
164.04686	2.3
165.12677	0.5
171.11635	1.8
174.03116	1.1
174.06699	2.4
174.10432	2.3
175.03893	28.0
179.06989	4.7
189.07539	1.1
189.09094	27.3
189.12732	12.0
192.04099	4.7
207.06514	15.5
207.08266	1.3
207.10094	5.3
207.13782	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
56.49645	1.0
64.95630	1.3
74.28814	1.0
81.07014	1.9
83.04971	8.7
91.05463	6.7
93.07031	1.8
95.08600	13.2
97.06506	2.1
105.07054	13.4
107.08598	12.3
109.06479	2.7
111.62309	1.2
119.04960	11.5
119.08582	11.3
121.06525	1.3
121.10140	7.0
123.08067	52.8
123.11683	7.5
131.08592	1.9
133.06482	9.0
133.10135	1.7
143.08583	1.8
145.10162	3.1
147.04408	8.4
147.08099	2.7
147.11685	8.2
149.09612	21.1
151.07538	28.0
151.84517	1.3
156.09296	2.1
161.13264	13.9
165.12752	12.2
171.11684	9.1
174.10359	3.1
175.03917	8.7
179.14340	1.4
184.66064	1.4
189.12750	71.4
192.04198	1.9
207.06506	3.1
207.13797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.85246	1.5
53.03952	1.6
55.01868	1.6
55.05510	7.1
57.03444	16.5
58.20851	1.6
65.03934	2.4
67.05502	8.7
69.03429	2.3
69.07052	3.9
76.53537	1.4
79.05499	22.2
81.03395	2.6
81.07062	17.2
85.02863	1.6
85.06521	2.2
88.19186	1.7
88.89089	2.0
91.05477	28.5
93.07044	40.5
95.04966	22.9
95.08594	7.3
97.06531	2.6
105.07053	14.2
107.08587	13.1
109.06512	21.7
109.10117	2.6
115.96410	4.1
119.04919	20.1
119.08559	11.9
121.06477	2.5
121.10137	3.1
123.08064	3.9
125.06006	12.8
129.06950	2.2
129.94368	1.7
133.10136	12.2
135.08067	7.2
137.05942	2.2
137.09689	1.7
143.03659	8.4
145.10123	9.3
147.04474	13.0
147.08038	2.3
147.11676	29.9
149.09608	11.8
150.15004	1.7
151.07539	3.2
151.11194	8.3
161.09535	3.7
161.13249	9.1
165.12735	9.1
165.38087	1.8
166.09039	3.1
171.11621	9.4
175.03951	13.9
175.09679	2.5
179.07054	3.5
183.95409	1.7
186.13158	1.7
189.12749	13.0
189.16324	2.0
192.04092	1.7
207.06412	22.1
207.11777	7.1
207.13791	100.0
207.17445	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05513	1.5
59.04995	1.9
69.07072	1.2
79.05496	3.3
81.07054	5.7
81.92824	1.5
83.04969	6.8
85.06532	2.1
89.29557	1.3
91.05491	13.6
93.07030	2.5
93.14894	1.3
95.08636	9.8
99.18286	1.3
105.07024	12.8
107.08598	40.4
109.06495	3.2
119.04927	23.0
119.08574	23.2
121.10130	9.1
123.08070	47.3
123.11691	7.4
131.08578	1.9
133.06497	5.6
133.10153	3.0
135.04385	1.5
135.08107	1.8
137.06023	1.8
143.08568	1.9
145.10109	2.7
147.04431	19.3
147.08044	2.5
147.11717	10.0
149.09613	19.1
151.07541	32.0
157.03911	1.5
161.09624	2.3
161.13251	35.7
165.09157	2.3
165.12723	9.5
171.11684	10.3
174.10336	2.6
175.03873	22.5
176.08313	3.2
179.14191	1.7
189.12727	66.1
192.04149	2.2
207.06512	11.6
207.13795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.17376	2.7
51.69241	2.2
55.01878	4.4
55.05511	5.7
67.05511	10.9
69.03426	10.3
69.07048	5.3
71.04974	4.1
78.57153	2.5
79.05496	10.2
81.07041	16.8
81.45147	2.7
83.04949	2.9
85.02914	17.7
85.06537	14.5
91.05477	38.7
93.07043	37.6
95.04977	21.9
95.08606	12.5
97.06546	18.5
105.07045	27.3
107.08594	32.5
109.06526	100.0
109.10148	5.5
111.08077	76.8
115.96463	3.9
119.04946	49.5
119.08556	33.7
121.06519	6.4
121.10155	18.7
123.04394	3.3
123.08073	20.3
123.11691	19.5
129.06993	3.3
131.08574	3.1
133.06499	3.5
133.10139	15.7
135.08037	5.3
137.05986	6.2
137.09616	14.0
137.13228	3.0
143.08615	8.4
145.10143	3.7
146.03706	3.3
147.04391	45.9
147.08080	12.9
147.11682	71.2
149.02356	5.8
149.09634	23.9
151.07562	25.1
152.05911	4.8
156.09303	12.4
161.06000	3.0
161.09624	18.3
161.13251	21.0
163.03918	3.8
164.04680	21.3
164.08383	5.5
165.09113	4.3
165.12804	31.3
171.11659	24.6
174.10387	12.3
175.03900	42.8
179.07001	19.1
183.97507	3.2
189.05508	3.5
189.12723	48.9
189.16374	3.4
190.08101	11.8
192.04147	15.4
207.06485	74.3
207.08218	5.5
207.09904	4.3
207.11899	5.5
207.13782	89.9
207.15750	3.9
215.06236	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.37933	0.7
53.03944	0.9
55.01859	1.0
55.05517	7.2
57.03424	3.3
65.03912	1.0
66.27930	0.8
67.05510	18.2
69.03433	1.2
69.07080	7.0
71.05016	0.7
71.71597	0.8
77.03950	0.8
79.05495	34.4
81.07059	17.7
81.40971	0.8
83.04983	2.2
83.08603	1.4
85.06538	2.2
86.80635	0.7
91.05478	40.2
93.07037	100.0
95.04968	13.9
95.08605	8.2
97.06523	1.7
99.04412	1.0
105.04486	1.8
105.07021	19.8
107.08593	13.9
109.04662	1.0
109.06522	8.5
109.10137	3.8
115.96431	5.8
117.07003	4.7
119.04934	14.4
119.08563	15.4
120.02050	1.1
121.06499	4.8
121.10126	4.6
121.97577	1.3
123.04456	0.9
123.08042	5.2
123.11720	1.7
125.05946	2.0
129.06998	8.2
133.06491	1.2
133.10133	7.9
137.06000	6.3
142.03516	1.4
143.03603	5.7
143.08553	5.2
145.10123	8.9
147.04399	12.7
147.08026	2.2
147.11679	60.9
149.09604	4.3
151.07536	6.3
161.09637	6.1
161.13220	12.0
165.12669	1.1
165.96556	1.2
171.11673	22.5
175.03888	12.0
179.06984	1.5
183.97580	1.7
189.12743	17.8
189.16389	1.2
192.04047	3.4
207.06490	17.5
207.08263	1.4
207.11867	3.3
207.13780	59.4
207.17351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62265	1.1
83.56415	1.0
103.00634	7.5
103.67175	0.9
119.01907	6.8
120.01984	4.9
121.01657	39.4
126.02203	4.5
126.85429	1.1
131.01872	1.3
133.31526	1.2
139.02701	13.3
143.03616	2.5
144.03224	85.2
153.27478	1.0
157.03445	5.9
162.03084	3.8
162.04263	17.2
164.51665	1.6
165.09050	0.9
167.01901	9.1
182.52730	1.5
184.50792	1.3
185.02954	100.0
190.03561	1.4
203.04010	16.1
205.52969	1.4
208.04536	22.7
226.05692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0603
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
58.06578	1.7
78.11443	0.3
87.04418	0.4
88.89915	0.3
89.03871	0.4
93.07033	0.5
97.02856	0.3
98.06053	0.4
103.35829	0.4
104.92142	0.4
106.06541	2.1
116.04939	2.1
119.04893	0.5
121.06503	4.1
133.05281	0.4
134.06032	6.3
135.04410	3.4
136.06171	2.4
137.05952	1.4
144.04446	0.7
148.07582	0.5
150.09094	0.8
151.07568	0.4
162.05493	100.0
162.09146	1.8
164.49866	0.4
165.09113	2.3
178.08669	2.0
180.06537	9.2
185.02965	2.5
190.06235	0.4
190.08653	6.6
190.10641	9.0
207.24028	0.4
208.06075	55.5
208.09720	44.4
208.11461	3.0
208.13374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0605
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
58.06607	18.9
68.05048	0.5
70.06548	0.4
71.43589	0.4
81.03405	0.5
86.06094	0.5
88.03948	0.7
88.26836	0.6
89.03901	0.7
98.06069	3.2
103.66916	0.5
106.06525	1.0
116.04960	2.5
116.07096	7.3
118.05039	0.6
122.06046	0.6
126.05528	0.5
132.06631	0.6
134.06007	6.1
134.06902	0.6
135.04410	3.4
136.58553	0.5
136.81850	0.4
137.05885	0.5
144.06551	2.7
150.06700	0.6
162.05496	100.0
162.07474	8.9
163.03967	1.9
165.06601	0.6
165.09106	6.5
178.08638	2.0
179.03519	2.0
180.06546	8.8
190.04965	3.0
190.07135	0.9
190.08649	5.6
190.10345	0.7
208.06067	61.2
208.09744	25.8
208.13297	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
82.66118	0.2
90.84536	0.2
91.05479	0.3
106.11717	0.2
118.06531	1.3
120.08107	2.6
121.07649	0.3
121.08443	4.3
128.04977	3.3
134.05988	0.3
136.06303	0.2
140.36438	0.2
144.03268	0.2
146.06009	100.0
148.03906	2.3
148.07549	1.2
162.05457	2.1
162.07700	0.3
162.09149	0.9
165.06570	0.3
165.09062	0.8
167.08958	0.9
176.06976	0.3
180.06502	0.3
180.10179	0.4
189.10846	0.3
190.03523	0.3
190.04910	1.7
190.08633	0.3
193.07310	0.5
208.06006	2.3
208.09644	4.4
208.11575	0.5
208.13463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	18.9
68.05048	0.5
70.06548	0.4
71.43589	0.4
81.03405	0.5
86.06094	0.5
88.03948	0.7
88.26836	0.6
89.03901	0.7
98.06069	3.2
103.66916	0.5
106.06525	1.0
116.04960	2.5
116.07096	7.3
118.05039	0.6
122.06046	0.6
126.05528	0.5
132.06631	0.6
134.06007	6.1
134.06902	0.6
135.04410	3.4
136.58553	0.5
136.81850	0.4
137.05885	0.5
144.06551	2.7
150.06700	0.6
162.05496	100.0
162.07474	8.9
163.03967	1.9
165.06601	0.6
165.09106	6.5
178.08638	2.0
179.03519	2.0
180.06546	8.8
190.04965	3.0
190.07135	0.9
190.08649	5.6
190.10345	0.7
208.06067	61.2
208.09744	25.8
208.13297	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1331
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
58.06603	60.3
58.64828	0.4
58.73299	0.4
61.00603	0.4
71.05032	0.4
71.25165	0.6
72.04498	0.5
80.32843	0.4
96.83953	0.5
102.16180	0.5
109.06461	0.6
113.05992	1.0
121.97592	0.5
122.97666	0.8
124.11136	0.6
135.04405	1.0
136.06165	0.5
146.05989	2.7
162.05455	11.7
162.07626	0.6
163.03860	4.2
165.09090	9.3
166.96614	2.1
170.81973	0.6
184.97665	0.7
190.04979	2.7
191.74841	0.4
193.07294	0.9
193.11015	1.1
208.06149	11.0
208.09676	7.8
208.13307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1332
Annotation	(+)-Salsolidine
Peak:m/z	Relative Intensity
54.16751	0.6
58.06613	0.7
66.09908	0.6
85.60275	0.7
95.10979	0.7
103.05460	0.8
105.07008	1.0
117.07040	5.8
117.07755	1.0
120.04439	0.8
121.06446	1.8
122.09665	1.1
123.08038	1.4
131.04945	2.9
134.05988	1.6
145.06471	19.1
145.10123	1.3
146.05992	1.0
149.05957	4.5
151.07556	7.5
162.05460	3.2
162.09117	1.4
165.09103	27.5
165.10423	1.5
173.09651	3.3
177.09079	15.7
179.10637	16.9
191.10654	11.8
193.10933	0.9
201.80984	0.7
208.05954	1.8
208.09845	4.2
208.13322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24556	0.3
52.26272	0.4
52.70413	0.4
58.06602	2.0
59.22133	0.4
76.02253	0.7
76.38320	0.4
81.95084	2.4
87.04475	63.9
91.05473	0.8
93.05767	1.1
105.07003	0.5
118.06516	0.6
120.08183	0.5
121.01694	0.6
121.06496	0.8
121.27531	0.5
121.97558	0.5
122.09671	96.3
122.18329	0.5
122.97699	1.8
125.94026	0.6
128.04907	1.4
131.04944	0.9
137.05943	1.0
143.97343	0.5
144.03270	2.2
146.06013	59.6
147.06381	1.0
148.03917	0.5
148.06508	0.8
149.05896	5.3
149.07025	0.9
151.07535	1.0
161.08282	0.5
161.96120	2.1
162.05542	0.9
162.09190	0.6
165.06624	0.9
165.09094	8.4
166.96742	2.7
173.09612	0.6
176.07112	1.9
177.09172	0.7
179.10704	2.2
180.06450	1.1
184.97705	0.9
191.07993	3.9
191.10611	5.5
193.07349	2.5
208.06018	2.0
208.09895	17.6
208.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1331
Annotation	(+)-Salsolidine
Peak:m/z	Relative Intensity
64.83286	0.9
71.28255	0.8
72.80539	0.8
80.68174	0.9
87.04467	5.6
91.05499	1.2
93.07046	1.1
103.05446	2.0
108.08165	1.5
117.07033	2.4
119.04980	1.5
120.05259	1.4
121.06486	4.6
122.09647	6.7
123.04415	1.6
131.04930	21.8
134.06046	1.3
137.05954	6.1
143.63644	1.0
144.05678	1.3
145.06477	7.6
145.10109	9.7
147.04416	18.0
149.05975	100.0
151.07561	1.4
158.07243	1.9
162.05498	3.9
162.06778	3.6
162.09074	4.7
163.07433	1.3
164.08278	1.6
165.09102	23.2
173.09604	19.9
176.04305	1.5
179.10672	6.9
180.10178	2.0
190.08644	1.7
191.10669	90.2
208.09756	21.7
208.13319	83.2
208.15381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1332
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
55.98000	0.6
58.06590	1.0
64.10065	0.7
75.59669	0.6
81.95075	1.6
87.04475	31.6
91.05476	1.1
92.05835	1.4
93.52494	0.7
94.53684	0.8
109.94633	0.9
111.22150	0.8
119.04948	1.2
120.04469	4.6
120.05295	4.2
120.08194	0.8
121.01646	1.3
122.09669	43.4
122.97705	5.1
134.09619	0.7
136.03940	1.2
143.95132	0.9
144.03281	4.4
145.08992	1.0
147.04367	6.7
148.04825	3.1
149.06010	3.3
150.06773	1.8
151.07523	4.0
152.07040	0.8
161.08356	2.0
161.96100	1.3
162.04294	1.3
162.05470	1.7
162.09117	6.1
164.08350	4.4
165.05396	1.1
165.06853	1.4
165.09105	50.9
166.05023	0.8
166.96672	6.2
176.04276	6.3
176.10614	2.6
177.09120	4.2
177.11575	0.9
178.08678	1.0
179.10675	15.9
180.10173	1.4
184.97758	4.3
190.04988	3.2
190.08594	1.3
190.10799	0.9
190.98074	0.9
191.10661	3.8
193.11111	1.4
208.05930	6.6
208.09781	21.4
208.13347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	33.1
56.08501	4.3
57.07071	11.7
57.77288	4.9
58.06607	8.2
67.05501	44.2
67.73118	4.0
67.75374	4.3
69.07063	27.0
70.06584	9.6
71.08614	18.3
79.05489	55.5
81.07066	58.3
82.06567	26.2
83.08622	11.4
84.08151	26.9
89.94476	5.0
91.05477	24.7
93.07048	54.4
95.08617	47.7
96.08142	56.9
97.10172	7.8
98.09666	6.1
107.08601	48.7
110.09700	44.7
120.05283	5.7
121.10127	26.1
124.11195	44.7
131.08582	5.7
138.12804	42.0
144.03252	8.3
147.11710	7.8
148.04767	7.3
163.14810	7.6
165.05045	18.1
165.09125	11.5
173.13252	26.7
180.07413	10.7
180.17450	100.0
190.15884	12.1
192.77538	5.8
193.04730	6.4
207.06549	28.4
208.06972	38.2
208.09650	18.7
208.17024	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01480	4.8
54.17302	5.3
64.18523	5.0
70.82198	4.5
80.29066	5.0
84.18868	5.3
87.04478	39.5
104.10678	6.1
106.02984	6.5
119.01827	7.2
123.05565	27.8
153.00020	7.1
181.58669	6.3
191.94589	27.8
200.98401	5.9
208.97256	100.0
209.09276	12.9
209.12987	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75277	6.3
87.04474	32.3
91.54604	6.4
96.75466	6.4
98.68209	8.8
117.14585	7.3
123.05557	57.7
124.36353	6.7
152.98494	6.8
163.36584	7.3
168.05040	7.6
176.60289	6.4
186.06131	6.5
191.94574	32.8
208.97250	100.0
209.09196	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
64.03188	0.5
65.03947	0.8
68.02602	0.4
73.28417	0.4
79.05477	2.3
81.07095	0.7
83.04981	0.5
91.05458	0.8
92.02608	1.0
92.48073	0.5
93.07050	0.8
94.04163	0.9
95.04968	2.3
95.68452	0.5
103.01829	14.5
106.00555	0.8
106.04215	0.6
108.02097	0.7
109.06496	0.6
115.54723	0.5
120.02116	0.6
121.02829	1.9
121.06483	3.2
121.10181	0.5
122.03609	1.0
123.97456	1.0
131.08542	1.1
132.02087	1.0
133.02838	6.8
135.00769	2.5
136.01575	1.0
138.03127	5.7
138.14293	0.5
148.01547	2.9
149.04909	0.6
149.05920	1.6
149.09561	0.7
150.03130	3.2
151.03795	0.6
153.01855	0.7
155.07018	1.1
165.01817	6.4
165.05461	2.4
166.02606	2.5
176.01030	2.5
177.01830	6.1
177.05481	2.7
179.03391	15.2
194.02135	3.4
195.02913	2.5
209.04449	100.0
209.09729	2.2
213.30429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01868	4.0
55.67775	1.7
58.07406	1.7
59.93560	1.5
65.03936	4.0
75.04495	13.8
79.05513	3.0
85.02914	3.8
88.10954	2.0
91.05492	32.8
93.03421	21.6
93.07048	12.8
95.04979	13.1
97.06513	4.9
103.05468	14.3
106.04175	73.0
107.04980	4.5
119.04919	2.9
121.06506	77.1
123.04440	2.2
123.08059	1.9
123.97452	3.7
125.05999	17.5
131.04918	10.3
133.67583	2.2
134.03662	8.1
135.04434	3.8
135.08153	2.0
137.05989	7.9
138.06778	7.4
139.07503	2.8
145.02911	3.6
148.05205	8.8
149.05983	100.0
150.05496	2.0
151.07561	2.6
151.31192	2.3
153.05466	3.6
153.09062	14.4
159.04420	8.6
163.07504	3.1
167.96471	2.7
177.05464	63.8
181.08569	14.1
185.97539	2.0
191.07013	4.0
194.05838	1.9
209.04507	3.2
209.08011	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03926	1.2
55.01876	1.8
56.96554	1.4
62.22747	0.9
66.88078	1.0
68.05057	1.4
74.96863	1.1
79.05489	1.4
82.94831	2.7
87.04453	14.3
89.03934	1.1
91.05442	4.3
93.07036	4.6
93.08592	1.1
95.04955	2.0
99.04447	1.2
103.05473	17.2
107.04960	8.5
109.06514	1.3
117.03356	2.7
119.04949	2.2
120.05609	1.3
121.06513	25.7
123.05553	22.8
123.97424	4.7
131.04935	25.8
135.04399	1.7
140.22754	1.1
141.72992	1.1
144.94792	1.4
145.02831	4.5
147.04422	4.7
148.05231	5.2
149.05974	40.7
159.04414	16.4
162.03091	1.3
163.03853	5.3
163.07457	1.9
167.07057	4.7
167.96292	7.9
176.04654	4.7
177.05458	100.0
181.08546	1.3
185.97440	4.4
191.07014	6.8
194.05750	5.9
204.98517	1.2
209.04390	2.7
209.07866	18.3
209.09245	39.8
209.13550	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01877	3.7
55.11797	0.8
58.06604	10.9
59.06949	3.2
65.27473	0.8
70.06583	4.5
81.26514	0.8
82.94857	0.8
84.04489	2.1
87.04464	4.7
89.03930	3.4
91.05499	7.5
93.07039	5.0
93.20538	0.8
95.04978	3.8
97.03063	0.9
103.05476	13.8
106.77926	0.8
107.04990	9.7
110.07169	10.5
117.03375	4.6
119.05005	3.2
119.36497	0.8
121.06503	23.6
123.04463	1.0
123.05566	3.6
123.09189	2.2
123.97416	1.2
131.04926	26.6
134.03641	2.1
135.04401	4.6
136.08688	4.0
137.10716	3.4
145.02811	6.8
147.04425	3.6
148.05177	7.7
149.05977	39.3
150.04213	1.1
150.05441	1.1
151.07524	5.0
153.05495	1.5
159.04384	18.7
159.05620	1.0
163.03860	6.0
163.06070	1.5
163.07549	7.2
164.06981	1.5
165.32802	0.8
166.06119	1.6
166.09445	3.5
167.07033	1.6
167.96474	2.2
174.30894	0.8
176.04716	5.2
177.05461	100.0
178.06247	1.6
181.10881	2.0
191.06952	8.5
191.08463	0.8
192.06439	1.5
194.05766	6.1
200.03242	0.9
209.04448	5.0
209.07828	29.6
209.09378	6.7
209.09987	6.2
209.13751	25.5
212.56952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28915	0.5
50.70943	0.5
55.01866	0.7
56.96560	0.8
68.05033	2.7
69.03425	0.6
70.95554	0.6
76.03189	0.6
76.70321	0.7
79.05492	0.9
81.03410	1.3
82.94859	3.1
87.04471	25.5
88.04832	0.7
91.05477	1.7
93.07033	0.8
95.05001	0.7
95.06077	1.3
96.04536	0.8
103.01809	0.9
103.05476	4.3
107.04975	2.5
117.03365	1.0
121.06506	9.1
123.05547	53.4
123.10001	0.9
123.97463	4.3
131.04930	9.0
133.02907	0.7
134.03593	0.7
136.07614	3.7
144.94836	0.7
145.02859	1.6
147.04410	0.8
148.05200	2.9
149.05980	14.9
159.04390	7.6
162.03049	0.8
162.95927	1.3
166.08676	3.4
167.07071	1.0
167.96388	6.0
176.04665	1.0
177.02174	0.9
177.05470	33.3
179.03340	1.5
181.09854	1.3
185.97542	3.8
191.06912	1.4
194.05762	1.4
209.04576	12.6
209.09271	100.0
209.13550	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68753	0.2
55.01868	0.2
57.03439	1.1
57.63419	0.2
57.63740	0.2
60.55343	0.2
67.05502	0.4
74.78365	0.2
75.04504	0.9
77.68797	0.2
79.05496	0.4
81.07047	0.5
91.05469	0.2
93.07066	0.3
95.04977	3.1
95.08600	0.2
107.04955	17.1
107.08638	0.3
108.92937	0.3
117.95982	0.3
121.06516	0.3
127.76041	0.2
135.08051	100.0
149.05965	0.4
166.09302	0.3
167.96330	0.3
177.05469	0.3
191.06953	0.3
209.11710	12.3
209.15251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
64.46660	0.2
67.05508	0.8
68.30511	0.2
75.04478	1.3
79.05502	0.3
81.07070	1.0
91.05479	0.4
93.07059	0.8
95.04965	3.6
95.08605	0.9
105.07052	0.3
106.04192	0.2
107.04955	17.5
107.08601	1.2
109.10145	0.3
111.08047	0.3
117.07027	0.2
117.95979	1.3
121.06524	0.3
121.10132	0.4
123.97437	0.3
135.08051	100.0
135.97063	0.3
145.00932	0.3
149.05954	1.1
149.13220	0.3
163.01907	0.3
177.05557	0.7
184.02496	0.2
185.97462	0.4
209.04306	0.3
209.07970	0.4
209.09814	1.1
209.11693	12.4
209.15028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03952	2.8
54.01238	1.3
55.01882	17.1
55.05523	31.6
55.61999	1.2
57.03435	2.9
61.35669	1.4
63.96302	1.4
65.03934	1.5
67.05182	1.8
67.05515	38.0
69.07066	21.6
71.04988	7.8
73.02905	3.3
75.04457	1.5
75.13329	1.6
79.05499	65.2
79.13415	1.3
81.03430	9.7
81.06610	2.6
81.07066	51.2
81.73484	1.6
83.04980	8.0
83.08638	21.5
85.02900	2.8
88.86251	1.4
89.29398	1.4
91.05474	22.4
93.03403	6.8
93.07046	96.3
93.67467	1.4
95.04971	21.9
95.07995	3.3
95.08609	100.0
97.02888	9.2
97.06561	12.5
99.04471	12.5
103.05447	6.4
105.04549	1.6
105.07030	17.4
106.04173	15.3
107.04950	30.9
107.08598	67.8
109.02948	1.4
109.06522	15.6
109.10175	6.8
111.04449	5.4
117.07012	22.1
119.08586	23.8
121.06509	35.4
121.10130	21.1
123.08087	2.0
125.06007	9.8
130.07739	5.6
131.04889	1.7
131.08577	1.8
133.10136	7.1
135.08070	11.1
135.11694	93.9
139.07547	2.8
145.10141	62.5
149.05988	24.5
153.09096	3.0
163.11182	75.8
177.05455	10.0
181.08598	3.5
181.12190	5.7
194.10916	1.8
209.08112	6.7
209.13290	7.2
209.15228	2.2
221.08003	1.6
227.12775	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03968	2.9
55.01882	5.7
55.05282	4.1
55.05523	73.8
57.03438	2.8
57.07759	2.2
59.05012	3.2
65.03953	3.3
65.24920	2.5
67.05495	8.1
69.03428	6.0
69.07069	9.1
71.04991	5.6
78.04723	2.4
79.05505	5.5
79.74329	3.0
81.07056	22.6
83.04990	100.0
83.08633	42.5
85.02895	4.3
85.06556	4.7
91.05492	29.0
93.03397	15.3
93.07049	25.6
95.04976	46.9
95.08609	13.3
97.06540	21.1
97.10161	13.7
99.04459	10.0
103.05469	12.3
105.07059	11.4
106.04179	51.4
107.04989	3.1
107.08613	40.0
109.06526	35.0
109.10151	37.8
111.08077	21.5
121.06515	59.9
121.10149	47.8
123.08105	9.7
123.11700	20.3
123.97478	5.6
125.05974	14.7
125.09639	18.3
131.04953	8.8
133.10147	22.6
134.03648	4.1
135.04416	4.1
135.08064	11.5
137.05997	5.0
138.06723	4.6
139.07544	3.3
148.05179	5.1
149.05981	81.7
149.13281	16.1
151.11194	55.7
153.05435	4.1
153.09102	31.2
159.04396	3.6
163.07487	4.8
163.14836	9.0
167.14294	98.2
167.96500	4.4
173.13268	13.7
177.05490	48.0
181.08633	15.8
184.41623	2.3
191.07028	3.6
191.14330	11.6
194.05826	3.4
209.04457	3.0
209.07805	17.6
209.09598	12.9
209.13551	12.6
209.15410	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	0.4
57.07082	4.5
67.05502	1.7
69.03403	0.6
69.07078	0.7
71.04983	2.8
79.05478	0.7
81.07056	1.9
83.04965	0.5
85.06536	0.6
91.05477	1.0
93.03473	0.4
93.07039	2.5
95.04951	2.8
95.08592	3.9
97.06551	0.6
100.31676	0.4
105.07029	2.7
106.04173	1.0
107.08595	4.8
109.06516	100.0
109.10154	6.3
111.08080	0.9
118.80774	0.4
121.06508	2.6
121.10143	2.7
123.08063	12.3
131.08572	4.6
133.10156	3.3
135.08044	24.0
139.11150	0.6
145.10097	0.6
147.11685	0.8
148.08804	0.5
149.05956	2.3
149.07755	0.5
149.09628	2.3
149.13283	1.9
150.10435	0.7
151.11136	3.2
153.09120	3.8
156.48491	0.4
158.10869	0.7
165.12831	0.5
173.13258	7.4
173.58049	0.5
177.05394	0.5
191.14296	27.5
209.04555	0.6
209.08153	0.5
209.13367	0.7
209.15346	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01891	2.1
55.05516	8.8
55.87409	1.4
57.03441	1.6
61.01228	1.3
67.05512	46.2
69.07066	8.8
71.04995	8.6
79.05484	15.6
81.07063	100.0
83.04981	3.0
83.08630	7.2
85.06549	3.4
91.05463	9.4
93.07053	26.6
95.04980	8.1
95.08005	2.5
95.08611	71.0
97.06524	9.9
97.10186	2.1
99.08047	2.3
105.07037	3.4
107.08607	34.7
109.06509	11.0
109.10162	17.1
111.08073	8.9
117.07041	1.9
117.95969	1.8
119.08623	2.1
121.06526	1.8
121.10187	12.3
123.08014	2.6
131.08580	16.5
133.10147	11.2
135.08054	6.1
135.11716	2.9
146.60225	1.5
147.11697	10.4
149.09679	1.6
149.13272	18.0
151.11215	6.6
163.14795	9.9
165.12595	2.2
173.13255	24.3
182.55104	2.0
191.14325	12.3
194.11028	1.9
209.13281	9.8
209.15385	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	0.7
53.72983	0.6
55.01867	1.3
55.05521	7.3
56.73286	0.6
57.03431	1.2
57.07086	0.9
65.03947	1.2
67.05513	50.1
69.03417	1.5
69.07062	6.7
71.04974	2.8
79.05503	21.7
81.03449	1.0
81.07065	100.0
83.04977	4.5
83.08629	7.9
85.06525	4.0
91.05489	8.2
93.06477	1.3
93.07043	26.8
95.04962	3.7
95.08611	72.8
97.06538	5.9
97.10160	1.3
99.08070	1.5
101.38980	0.7
105.07027	7.2
107.08601	29.5
109.06538	6.8
109.10162	18.2
111.08060	3.9
111.34492	0.7
117.06993	4.0
119.08563	3.4
121.06503	1.0
121.10144	11.3
123.08086	1.3
123.11700	1.2
125.09607	1.4
127.07529	1.3
127.24067	0.7
131.08566	17.4
133.10124	3.1
135.08054	4.6
135.11639	1.6
145.10118	6.9
147.11661	8.2
149.09584	4.3
149.13261	19.0
151.11194	0.8
153.09103	1.6
163.14830	11.0
165.12756	2.8
173.13255	23.9
180.83965	0.7
191.14325	13.2
194.10832	0.9
209.09770	1.3
209.13390	3.6
209.15353	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.12592	1.7
55.05505	3.3
56.89558	1.8
57.03441	29.1
57.07098	2.0
58.67467	1.9
67.05247	1.8
67.05518	31.4
69.07060	3.9
70.75352	1.6
71.04979	2.4
79.05489	10.2
81.07062	52.6
83.08637	2.7
85.06541	26.1
91.05505	6.4
93.07034	20.4
95.04968	3.1
95.08611	54.3
97.06522	3.4
99.04453	100.0
99.08083	3.2
105.07011	3.0
107.08607	22.8
109.06516	11.3
109.10146	20.9
111.08068	8.2
117.06968	2.0
117.95975	9.1
119.08576	11.2
121.10114	9.3
123.11678	2.1
125.09662	2.7
131.08537	9.9
133.10153	4.1
134.17076	2.1
135.08076	2.6
135.11710	10.3
137.09570	2.7
141.44415	2.2
145.10106	2.3
147.11687	3.2
149.09636	2.3
149.13258	12.1
151.11104	2.2
153.12692	3.4
161.51451	2.0
163.14786	9.2
173.13266	11.9
191.14299	9.6
209.09807	3.5
209.13278	12.1
209.15358	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	0.5
55.01878	2.8
55.05520	14.2
57.03444	0.5
57.07088	1.0
67.05507	8.3
69.03475	0.4
69.07067	2.8
71.04984	0.8
76.14513	0.4
79.05496	5.4
81.07063	15.5
83.04987	100.0
83.08626	3.3
85.06548	2.0
89.48463	0.4
91.05477	2.3
93.07048	17.0
95.04965	0.7
95.08613	14.4
97.06523	0.6
97.10151	0.7
102.73695	0.5
105.07019	0.7
107.08602	14.2
109.06518	0.7
109.10165	4.5
111.08076	7.5
117.96005	2.2
119.08581	1.1
121.06464	0.6
121.10147	8.6
123.08044	0.7
123.11729	0.9
125.09631	2.1
131.08574	2.2
132.32910	0.5
133.10132	2.0
135.08076	2.5
135.11670	1.7
137.09636	0.7
139.11192	0.5
147.11725	0.5
149.09656	0.9
149.13231	6.8
153.09163	0.9
163.14812	8.1
173.11852	0.5
173.13283	2.5
181.15851	1.0
191.14296	5.2
194.10960	0.7
205.02728	0.5
209.13289	2.2
209.15392	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
57.11802	0.7
60.34318	0.8
64.05970	0.9
67.05519	1.7
69.03427	10.2
69.07088	1.7
71.04998	0.9
71.99718	0.8
73.80759	0.8
81.03433	8.1
81.07058	4.0
81.82800	1.0
83.04984	3.7
87.57926	0.8
91.05482	1.4
92.20918	1.5
93.07049	3.9
94.66526	0.8
95.04964	5.0
95.08614	6.2
100.89597	0.9
105.07052	1.0
107.08607	9.4
109.06509	8.7
114.94173	0.8
119.08578	3.9
121.06505	1.0
121.10130	14.1
123.08063	8.6
123.11707	8.0
127.99635	0.8
134.77448	0.9
137.09601	1.4
137.13228	5.0
147.11682	4.3
149.05988	1.8
149.09666	7.8
149.13211	6.5
151.11163	6.1
165.12741	100.0
177.05548	1.4
191.14389	1.1
209.13522	1.6
209.15358	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.076
Annotation	3-Carbamoyl-2-phenylpropionic acid
Peak:m/z	Relative Intensity
86.09429	1.1
87.04459	6.1
95.08956	1.0
109.00992	1.1
112.05098	1.2
121.06484	1.4
124.03943	13.1
136.07553	1.4
147.04367	1.6
148.23402	1.2
149.02299	1.3
150.05487	1.5
163.03886	78.8
164.05782	1.9
164.07056	21.7
166.08603	2.1
175.03813	4.2
175.07494	1.4
178.05750	1.6
181.04956	7.2
192.06541	100.0
192.10255	2.3
193.04965	18.9
210.05968	3.9
210.07602	88.0
210.11095	9.0
212.32645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.076
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
51.25562	0.3
61.49985	0.4
81.56741	0.3
87.04464	1.9
91.05494	0.4
96.33265	0.3
111.04372	0.3
115.05465	1.5
119.04996	0.4
119.34650	0.3
121.06493	3.7
121.15228	0.3
124.03948	3.5
136.07635	0.4
137.05981	2.2
143.04930	4.4
146.05980	4.4
154.85272	0.4
161.05940	2.4
162.05464	0.4
164.07057	100.0
165.06635	0.3
178.08630	12.7
181.52003	0.3
192.06511	2.7
192.10190	0.8
210.05672	0.8
210.07547	13.5
210.11281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
53.92785	0.2
55.46144	0.2
62.06673	0.2
86.40959	0.3
90.05548	0.5
91.05473	2.1
93.07047	4.3
95.04945	0.6
103.05453	2.1
103.06099	0.2
107.81287	0.3
121.06503	100.0
125.46625	0.3
132.33455	0.2
135.10329	0.3
149.74266	0.3
150.09158	2.8
164.07053	16.0
178.08691	0.3
185.99562	0.3
192.10188	0.4
210.07639	1.6
210.09395	0.4
210.11241	8.2
210.13055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96658	0.6
52.62035	0.6
63.32150	0.9
65.03922	0.6
81.03419	4.5
87.04483	9.2
91.05479	4.4
93.07032	1.9
95.04968	1.0
96.04492	1.8
103.05470	3.4
105.07002	1.0
107.08580	1.2
108.04467	5.0
109.02887	1.1
111.93810	0.8
115.05456	8.5
117.06998	1.4
119.04851	0.9
121.06501	38.0
122.06027	2.0
124.03948	25.3
131.04926	4.3
132.08098	3.6
133.06497	3.1
136.06169	1.1
136.07561	1.2
137.05972	8.4
140.03397	1.4
140.36282	0.9
143.04922	31.3
145.06458	0.9
146.06020	9.5
147.08054	3.1
149.04845	1.4
149.05943	9.9
150.05505	28.8
152.06973	1.8
160.07547	8.4
161.05962	41.1
161.07314	1.4
163.07498	1.3
164.07039	22.2
164.08282	1.2
164.10675	13.0
166.08656	1.8
167.07127	0.8
175.07521	7.2
178.08623	100.0
182.08205	1.1
183.40903	0.8
187.06197	1.6
192.06557	15.0
192.08516	1.6
192.10231	7.9
193.08572	10.6
206.84579	0.8
210.04326	1.0
210.07646	24.6
210.09773	2.5
210.11255	64.7
210.13100	4.6
217.58188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1125
Annotation	Anhalamine
Peak:m/z	Relative Intensity
66.04134	0.4
66.12127	0.3
71.72800	0.4
72.04511	0.5
73.43047	0.3
74.84434	0.3
81.03431	0.6
87.04455	3.2
88.30801	0.4
91.05484	0.6
93.07048	0.8
99.04463	0.5
103.05454	0.4
108.04489	1.5
110.06010	0.5
116.07091	7.5
120.95663	0.4
121.03217	2.3
121.06510	19.7
121.07357	0.7
122.05968	0.7
122.09659	0.6
124.07583	4.0
134.06042	2.0
136.07576	4.0
138.09137	2.3
140.03444	0.4
147.31078	0.4
147.83960	0.4
148.07663	0.4
149.08405	0.5
150.07945	0.5
150.09138	10.7
152.07037	0.4
160.07643	0.5
163.97743	0.5
164.07047	4.2
164.10728	3.0
166.08633	2.3
167.04526	0.4
170.19487	0.4
178.08632	100.0
182.08084	0.4
192.06514	0.8
192.10181	2.0
210.07634	3.8
210.11252	80.3
219.07280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1125
Annotation	Anhalamine
Peak:m/z	Relative Intensity
57.06829	2.1
57.07085	42.7
58.58903	1.1
72.47073	1.4
87.46367	1.4
92.05019	2.3
110.06042	29.7
126.38873	1.3
126.41535	1.5
136.03902	6.6
144.55861	1.2
145.96664	1.6
150.06285	1.8
154.04991	100.0
164.10735	1.8
210.11234	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05015	0.2
55.01886	0.6
55.05532	0.5
57.03438	0.2
59.04977	0.3
59.47494	0.2
59.71406	0.2
67.03704	0.2
67.58578	0.2
69.07072	6.9
69.91016	0.2
73.02916	5.9
73.06554	3.8
91.05495	0.3
94.06562	0.2
96.04493	62.0
97.06542	1.2
120.08115	0.4
121.06501	1.4
122.06832	0.5
122.98644	0.3
136.07526	0.3
145.96693	1.1
150.06442	0.7
163.97716	1.2
164.07097	1.0
164.10684	0.4
167.07083	0.5
178.05861	0.4
186.31949	0.2
192.06699	0.3
210.03267	2.2
210.11249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Anhalamine
Peak:m/z	Relative Intensity
55.01900	0.6
61.12817	0.4
62.68497	0.6
69.07069	6.8
70.34741	0.6
73.02911	5.2
73.06565	4.1
84.64851	0.5
87.65546	0.5
96.04491	60.3
97.06528	1.2
101.11638	0.5
106.04174	0.6
107.04499	0.8
121.06526	1.1
122.06862	1.1
150.06308	2.9
163.97702	2.3
164.55266	0.8
168.06064	0.6
175.57404	0.7
178.05875	2.1
189.90889	0.6
192.10249	1.2
195.07863	4.8
202.59038	7.4
210.03242	4.9
210.11273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86753	4.1
53.08204	3.0
55.05514	27.8
66.71046	3.4
67.05495	23.2
68.42484	3.5
69.07076	30.2
72.08141	8.8
74.12610	3.8
79.05485	5.6
81.07061	57.1
83.08609	39.6
85.07650	4.6
85.94624	6.0
86.06066	7.8
93.07034	23.1
95.08608	100.0
97.06517	6.1
97.10198	14.8
100.07600	16.7
101.07126	4.9
105.07031	16.5
107.08587	19.9
109.07643	7.0
109.10159	63.3
110.07206	14.8
111.08055	23.2
112.08736	4.0
114.09147	9.8
119.08549	15.5
121.10180	5.4
124.08692	5.6
128.10738	23.3
133.10117	34.0
135.84843	4.0
145.96640	25.1
147.11646	19.2
149.13249	6.7
150.10289	6.9
151.09830	6.6
151.14851	16.7
152.11783	5.3
163.97707	47.1
169.04929	6.4
170.02223	4.0
175.14806	97.9
181.98814	9.7
186.99393	8.6
193.15904	70.3
210.13528	16.9
210.16690	4.3
210.18549	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05320	2.0
55.05524	29.8
56.71547	2.0
57.03476	2.2
57.07061	2.8
61.23660	2.2
62.35009	2.1
67.05507	33.2
67.53481	2.3
69.07066	27.0
70.06612	2.2
71.08620	3.8
72.08127	2.6
79.05487	4.3
81.06609	3.5
81.07058	50.0
83.08620	36.7
84.08150	3.1
86.06049	5.9
91.05482	6.1
93.07035	14.7
95.08606	100.0
97.06522	11.1
97.10162	15.3
100.07589	10.7
105.07061	5.8
107.08598	10.7
109.10153	67.5
111.08048	19.6
112.07595	3.0
114.09155	21.3
114.69419	2.7
119.08559	18.1
121.10133	3.0
123.08076	4.7
128.10710	11.0
133.10118	23.0
133.10997	3.5
135.11667	5.8
141.05444	3.7
142.12251	2.2
147.11693	15.5
149.13258	9.7
151.14766	17.6
163.97679	4.0
175.14821	94.6
175.19823	2.5
193.15887	61.7
194.65715	2.3
210.09967	2.8
210.13501	3.9
210.18524	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16761	49.6
59.64550	35.8
70.87830	44.0
73.69959	43.2
89.88239	42.7
90.53646	40.7
108.04527	48.1
151.96548	48.3
191.70555	45.9
202.86461	45.7
210.94086	100.0
211.08890	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42480	16.9
58.01263	17.6
61.27290	17.9
77.14996	17.5
86.26521	16.9
87.04436	23.0
87.05597	45.6
91.52996	18.5
95.04967	22.8
96.04483	30.8
107.25486	18.9
108.04490	42.0
122.06061	80.3
146.73575	18.8
152.03464	43.8
166.05054	26.0
193.09688	24.7
194.04521	81.1
210.94115	100.0
210.97057	27.8
211.07138	36.6
211.09024	31.9
211.10820	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0712
Annotation	5-aminosalicyluric acid
Peak:m/z	Relative Intensity
57.06922	3.3
68.46705	3.1
72.04513	23.5
78.46159	4.0
80.05013	6.1
80.32011	3.1
81.03429	15.7
87.05582	46.2
88.29338	3.6
95.04968	23.7
96.04488	61.8
108.04466	89.7
119.01978	4.5
122.02409	15.5
122.06020	93.4
128.39273	3.6
148.03871	4.4
150.05505	21.3
152.03430	52.3
165.06590	30.5
166.05003	62.5
167.08101	5.5
193.09477	3.9
194.04475	100.0
195.78517	3.5
210.97070	4.4
211.07130	58.6
211.10710	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0866
Annotation	Pyocyanin
Peak:m/z	Relative Intensity
52.85536	0.2
53.17967	0.2
54.04099	0.3
54.22695	0.3
55.05529	0.4
57.03436	0.3
58.56771	0.3
61.28442	0.2
69.07083	0.4
71.93510	0.3
76.86401	0.3
79.05500	0.6
81.03404	2.0
81.07064	1.5
83.04987	0.8
83.08631	0.5
91.05472	0.6
93.07027	1.3
95.04958	1.3
95.08584	0.7
97.10201	0.3
105.07033	0.5
107.08636	0.3
109.10147	0.6
119.08597	0.7
133.10123	0.5
147.08104	0.4
155.08569	0.8
157.10109	0.4
169.07616	7.6
169.10091	2.0
177.55063	0.3
181.10049	0.4
183.11595	0.6
185.07082	1.7
193.07587	8.9
193.12259	0.7
196.12529	0.4
211.08659	100.0
211.14810	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.51298	0.7
53.38490	0.7
55.01884	1.2
61.77248	0.9
66.67120	0.7
67.05497	0.9
70.22771	0.6
79.05487	4.5
91.05487	6.0
95.04965	3.7
103.05488	3.4
105.07035	16.2
107.04977	1.7
108.05719	1.1
109.02911	1.0
109.06521	1.1
118.04146	5.3
119.04931	4.9
121.06468	1.5
123.04429	35.2
123.08036	3.2
133.06480	15.9
135.04419	1.1
135.08034	1.9
137.05954	4.8
147.04404	4.7
148.05115	1.0
149.05975	1.8
150.06757	8.4
151.03877	1.9
151.07533	30.4
161.05942	3.5
161.07144	3.2
165.09087	9.8
167.06969	7.7
168.10814	0.9
179.07016	100.0
189.34648	0.8
193.08575	24.7
211.09653	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.71568	1.7
52.18815	2.1
55.01875	3.0
57.03431	2.4
58.52400	1.9
64.11857	1.9
79.05499	13.7
81.03429	10.4
81.07098	2.6
91.05485	13.5
95.04969	10.5
95.45560	2.2
102.60619	2.4
103.05468	10.6
105.07030	59.9
107.04948	4.8
107.08599	2.3
109.06500	2.3
115.05486	3.4
118.04144	12.0
119.04926	9.5
121.06517	8.7
123.04433	34.6
123.08042	4.5
124.05208	4.1
133.06491	52.4
133.10092	2.6
135.04408	9.7
135.08063	3.6
137.05971	10.9
146.03595	3.0
147.04373	4.5
148.05109	2.4
149.05974	10.5
150.06732	33.1
151.03891	2.3
151.07600	28.8
161.05988	10.2
165.09122	33.5
167.07016	94.5
167.08357	4.4
178.06198	3.0
179.07027	100.0
181.08604	3.9
193.08601	73.9
193.12282	3.7
211.09659	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
52.47186	1.9
53.03946	4.0
53.11241	2.0
55.01884	26.5
55.05524	17.1
56.25037	2.0
57.03439	3.4
57.07059	2.2
66.02444	2.0
67.05511	23.8
67.54580	2.0
68.99783	2.9
69.03430	100.0
69.07047	4.2
71.01361	4.5
71.04992	5.1
73.02901	3.7
73.37559	2.4
77.74902	2.0
79.05492	27.3
81.03419	48.1
81.07064	30.0
82.08910	2.3
83.04980	28.3
85.02907	20.6
85.06579	8.6
85.68745	2.2
91.05492	33.7
93.07045	39.2
95.01328	2.6
95.04968	63.0
95.08604	27.0
97.02905	23.6
97.06527	32.3
99.04445	27.0
101.02428	3.5
103.03927	4.4
103.05468	2.7
105.07046	34.7
107.04960	17.3
107.08598	21.4
109.02893	23.7
109.05794	2.7
109.06522	63.3
109.10173	13.8
111.04443	55.5
111.08073	10.5
113.02343	3.1
113.06013	35.6
115.03878	4.7
117.07016	11.2
119.04884	21.2
119.08571	37.7
121.06507	42.9
123.04430	43.9
123.08078	28.6
125.02325	4.1
125.05975	5.7
125.09628	20.6
127.03926	14.3
129.06985	5.0
131.04942	2.6
133.06462	19.7
135.08020	22.3
137.05948	10.0
137.09619	12.3
139.07582	5.3
145.06479	3.3
147.08049	32.4
149.05965	12.4
151.07530	32.5
153.09053	10.9
163.07570	19.2
165.09137	28.4
167.06996	10.9
175.07533	14.8
175.11171	2.9
181.08597	22.0
193.08604	29.3
196.37845	2.2
211.07532	11.5
211.09595	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03956	3.9
53.32891	4.3
55.01884	17.2
55.05517	8.0
57.03440	6.9
61.96567	3.3
63.12854	3.7
63.98660	3.8
65.71153	4.0
66.39330	3.5
67.05505	31.8
69.03429	100.0
70.48426	4.0
71.01375	7.6
79.05492	25.1
81.03416	42.8
81.07049	26.7
83.04971	42.4
84.66841	3.6
85.02877	14.8
85.06548	5.3
91.05466	35.9
93.07032	40.8
95.04956	46.9
95.08604	24.7
97.02908	23.2
97.06522	21.3
99.04457	10.3
103.03930	4.2
105.07033	24.2
105.85683	4.2
107.04977	8.8
107.08594	24.9
109.02874	23.7
109.06504	50.0
109.10200	5.2
111.04449	43.8
111.08088	7.8
111.49329	4.0
113.06003	23.6
117.06992	13.7
119.08560	27.7
121.06487	26.2
123.04433	37.6
123.08037	22.5
125.02390	3.8
125.05983	6.8
125.09583	5.8
127.03909	21.0
133.06483	9.1
135.08046	22.7
137.05904	6.2
137.07866	4.2
137.09657	7.8
139.07532	6.4
147.08022	28.5
149.05916	4.6
151.07555	23.5
161.64679	4.1
163.07571	23.3
165.09123	21.6
166.45332	4.7
167.06943	4.2
181.08600	22.2
193.08560	17.4
211.09592	71.8
225.60867	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01867	25.6
55.05508	18.5
57.03442	8.4
57.07097	4.6
61.02902	4.2
67.05504	29.2
69.03430	100.0
69.07056	11.5
71.04980	11.3
79.05487	29.7
81.03415	30.1
81.07058	32.3
83.04984	21.1
83.08630	8.7
85.02888	7.3
85.06532	20.6
91.05482	49.6
93.07056	53.8
95.01286	4.3
95.04965	81.0
95.08602	57.7
97.02893	28.3
97.06536	32.9
99.04457	24.6
99.08094	28.0
103.03951	5.6
103.05486	5.5
103.88136	5.1
105.03403	6.1
105.07053	37.5
107.04962	28.7
107.08593	36.5
109.02895	21.1
109.06499	63.6
109.10140	42.8
111.04447	56.4
111.08041	5.5
113.05991	29.8
114.50687	4.7
117.07023	6.3
119.04933	47.3
119.08570	56.2
121.06512	52.2
123.04427	37.4
123.08037	40.4
125.06004	7.8
125.09628	56.7
127.03928	19.4
133.06514	23.9
133.10141	32.9
135.08063	25.3
135.11691	20.3
137.05956	19.5
137.09636	34.4
139.07484	7.1
147.08069	36.0
147.11665	6.4
149.05945	24.1
151.07539	38.4
153.09053	5.7
155.10791	5.3
161.02249	7.3
161.05948	6.1
163.07474	11.2
165.06970	25.0
165.09091	30.2
167.06985	36.4
175.07530	6.3
175.14807	10.1
179.07118	7.6
181.08585	30.9
183.08049	9.2
193.04956	17.3
193.06685	6.4
193.08632	31.9
193.10271	5.0
193.15929	8.2
196.05246	17.2
198.51508	5.0
211.07524	47.6
211.09666	81.4
211.11462	6.8
211.14528	7.0
211.16867	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86069	0.6
63.00591	0.6
64.91612	0.5
65.88701	0.6
73.76622	0.6
74.47050	0.6
91.05492	5.5
93.07029	7.5
95.04984	1.5
103.05457	4.5
105.07056	1.5
107.04955	0.8
121.06496	15.8
122.05993	0.7
123.04417	2.9
124.05231	1.0
131.05986	0.8
133.06465	3.2
137.05984	5.8
149.05980	32.9
151.03888	1.2
152.04720	0.8
156.39899	0.6
161.05969	4.4
166.06267	5.6
167.07033	100.0
180.07799	1.5
181.08595	24.0
193.08591	1.3
207.72879	0.7
211.05826	1.0
211.09712	3.2
229.91899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03960	1.0
55.01879	3.1
55.05520	26.7
57.03446	7.1
57.07107	0.4
59.04999	1.0
59.29693	0.4
61.60784	0.4
63.63490	0.4
67.05511	24.2
69.03429	8.6
69.07069	10.2
71.04994	5.5
73.02910	0.5
78.79532	0.4
79.05496	25.0
81.03423	100.0
81.07062	34.7
81.07552	1.0
83.04984	44.6
83.08624	36.5
85.02915	1.0
85.06543	3.5
91.05482	27.6
93.07046	17.3
95.04967	33.9
95.08600	15.0
97.02895	3.9
97.06527	6.1
97.10168	9.6
98.12364	0.5
99.08103	2.1
104.94193	0.4
105.07030	22.5
107.04974	7.5
107.08590	9.9
107.09267	0.7
109.06527	7.1
109.10126	4.9
111.04438	3.1
111.08084	10.1
111.32357	0.4
113.05988	0.7
115.05464	1.1
117.07026	0.8
119.04974	0.6
119.08580	23.3
121.06512	2.1
121.10142	9.0
123.08059	3.8
123.11689	0.7
125.09628	2.9
127.07549	0.7
129.07005	11.1
131.08571	14.6
133.06508	4.4
133.09195	0.7
133.10139	14.0
135.07951	0.4
135.11597	0.8
137.09570	2.4
142.07739	3.3
145.10080	1.9
147.08047	4.5
147.11679	18.6
149.09601	9.0
151.11150	0.8
155.08589	0.6
157.10120	19.3
163.11217	0.6
165.12709	3.6
175.11172	20.6
175.14801	2.6
186.32863	0.5
193.12242	49.8
211.07561	2.4
211.11226	0.9
211.13274	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.31549	2.3
54.83190	2.1
55.01875	3.2
55.05272	3.1
55.05521	40.4
55.18121	1.9
57.03442	5.6
57.80841	2.1
67.05513	40.9
69.03431	17.1
69.07067	23.7
69.60324	2.7
71.04994	5.4
71.93918	2.5
73.81493	2.2
79.05500	35.0
81.03429	100.0
81.07065	55.7
83.04980	48.9
83.08631	51.2
83.72633	2.4
91.05482	38.8
93.07043	27.9
95.04976	38.0
95.08608	52.4
96.38493	2.7
97.02888	2.6
97.06524	16.6
97.10166	15.6
97.24797	2.8
99.08100	2.6
104.81328	2.3
105.07032	28.8
107.04959	3.8
107.08601	17.4
109.06529	6.5
109.10168	25.5
111.08121	9.8
114.36539	3.0
119.08598	33.9
121.10133	12.9
123.08147	3.5
123.11692	3.1
129.07016	17.8
131.08582	16.9
133.10129	27.4
135.11707	6.0
137.09573	5.0
147.11694	27.9
149.09625	4.6
149.13254	5.2
151.14832	3.4
157.10147	16.3
165.12746	3.7
167.06946	3.0
175.11203	24.4
175.14842	16.9
183.08200	3.6
193.12260	52.7
193.15846	10.8
196.02071	2.8
211.07565	22.5
211.09367	3.7
211.11185	11.6
211.13310	24.1
211.15034	3.8
211.16798	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05520	8.9
57.07076	3.6
57.74257	0.6
59.05012	1.4
67.05511	14.3
69.03433	8.1
69.07069	12.1
71.04979	3.3
71.08621	0.8
79.05499	1.6
81.07063	20.0
81.30891	0.6
83.04987	10.7
83.08627	9.5
85.06557	2.9
91.05488	1.3
93.07047	8.1
95.04975	1.4
95.08603	33.6
97.06516	1.3
97.10144	1.3
99.08111	3.3
102.58122	0.6
105.07033	4.7
107.08603	21.0
109.06531	11.9
109.10158	100.0
111.08084	4.1
119.08571	16.7
121.10151	10.4
123.08067	15.1
123.11681	10.5
125.09599	1.1
133.10124	18.3
135.11696	68.8
137.09612	18.5
137.10582	1.1
139.11205	2.8
147.11769	1.0
149.13258	4.3
151.11195	11.4
151.14816	14.6
153.12733	3.0
165.16341	1.5
175.13307	0.8
175.14824	21.0
193.15871	18.6
211.16899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.9
57.07076	3.6
57.74257	0.6
59.05012	1.4
67.05511	14.3
69.03433	8.1
69.07069	12.1
71.04979	3.3
71.08621	0.8
79.05499	1.6
81.07063	20.0
81.30891	0.6
83.04987	10.7
83.08627	9.5
85.06557	2.9
91.05488	1.3
93.07047	8.1
95.04975	1.4
95.08603	33.6
97.06516	1.3
97.10144	1.3
99.08111	3.3
102.58122	0.6
105.07033	4.7
107.08603	21.0
109.06531	11.9
109.10158	100.0
111.08084	4.1
119.08571	16.7
121.10151	10.4
123.08067	15.1
123.11681	10.5
125.09599	1.1
133.10124	18.3
135.11696	68.8
137.09612	18.5
137.10582	1.1
139.11205	2.8
147.11769	1.0
149.13258	4.3
151.11195	11.4
151.14816	14.6
153.12733	3.0
165.16341	1.5
175.13307	0.8
175.14824	21.0
193.15871	18.6
211.16899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05516	5.6
57.07077	3.5
60.42224	0.8
60.46933	0.8
64.91479	0.8
67.05177	1.0
67.05507	12.6
68.16898	0.8
69.03424	5.9
69.07076	14.2
71.04981	1.9
73.10904	0.8
79.05495	1.8
81.07056	17.8
83.04993	9.7
83.08618	9.2
85.06548	1.6
85.20900	1.1
91.05466	1.0
93.07037	7.0
95.04927	1.2
95.08606	30.8
97.06517	1.0
97.10165	3.6
99.08113	1.9
101.67314	0.8
105.07036	4.6
107.08588	21.7
109.06499	14.2
109.10155	100.0
111.08070	2.1
113.06150	0.8
119.08570	20.2
121.10149	11.7
123.08071	14.0
123.11689	7.9
125.09688	1.4
133.10127	16.9
135.11690	67.5
137.09608	19.0
139.11171	1.8
149.13240	7.4
151.11151	11.4
151.14793	14.6
153.12701	3.2
165.16412	3.3
167.07045	1.1
175.14809	18.2
193.15849	19.0
211.16940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45450	1.3
60.08171	2.0
71.92243	1.9
82.01472	7.3
85.01409	14.9
85.02882	1.8
87.04467	2.4
98.06075	4.5
100.02489	33.2
101.00875	7.1
103.02455	47.7
108.04470	2.0
109.07681	2.5
112.56143	1.7
114.04049	22.1
114.06630	4.5
117.04008	31.0
118.03516	6.9
119.01901	20.5
121.03469	23.4
122.06030	2.5
126.04034	7.4
126.05534	2.1
127.02426	2.1
129.00336	15.4
129.29968	1.6
131.01910	2.0
132.05083	17.6
133.03519	2.5
135.05042	23.8
137.02963	2.8
143.01909	2.3
144.05075	8.8
145.03477	32.5
147.01390	92.4
147.03192	3.1
150.05501	7.8
152.01910	15.1
152.07137	2.9
153.06548	3.2
157.03577	2.1
158.06647	3.2
161.02979	23.6
163.04518	32.3
164.07088	2.2
165.02460	27.4
166.05003	1.9
168.05084	2.9
170.02988	100.0
171.01329	6.7
171.02829	2.4
179.03943	3.2
183.03468	2.2
186.06189	3.1
189.02449	38.3
189.04044	3.5
194.08203	4.0
198.06110	3.5
207.03517	37.9
212.03810	2.8
212.05571	7.0
212.09218	11.5
212.13985	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
55.01863	1.0
60.04509	1.1
65.03925	1.3
67.05488	1.1
68.05045	1.3
69.03418	4.4
70.06563	1.5
72.93775	1.5
81.03424	2.3
83.04950	1.3
85.02892	1.3
85.15419	0.9
86.06075	7.9
87.04485	10.4
90.94807	5.1
91.05492	1.5
93.03379	1.8
94.06625	0.9
96.04465	1.8
97.02344	1.3
97.02902	23.5
98.06065	24.0
106.06540	5.1
108.04462	4.9
109.02840	1.4
109.07650	29.6
110.06047	2.0
111.04427	6.0
113.96405	2.0
116.96352	1.3
118.58401	1.1
119.04939	1.1
121.06488	5.9
122.06055	2.1
124.03930	1.6
124.07582	5.0
125.05972	13.2
125.07072	3.8
126.05517	8.9
127.03908	3.7
128.96359	1.1
130.97937	1.0
131.02625	1.2
134.06009	10.4
136.07570	1.4
137.05959	1.6
138.09128	1.7
140.94075	1.2
148.07498	3.4
149.05977	41.3
151.07504	1.2
152.07062	19.2
153.05473	52.0
153.06635	1.9
158.97363	12.5
164.07008	2.0
166.05016	1.8
166.08630	56.5
168.14888	4.2
170.08073	1.5
176.07059	6.1
176.98462	7.6
177.05403	1.2
177.30243	1.0
181.98973	1.3
182.08086	1.6
184.09619	1.4
186.96864	14.8
188.98453	22.3
194.08127	100.0
195.06241	17.7
195.07837	6.2
204.97935	8.4
206.99512	5.8
209.98514	1.9
212.00011	4.4
212.05482	7.4
212.09154	63.9
212.12784	11.2
216.23528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	3-Hydroxy-5-methyl-L-tyrosine
Peak:m/z	Relative Intensity
50.65142	1.0
55.67830	0.9
58.09878	1.0
66.82468	1.0
69.03416	2.2
70.06573	5.4
75.86474	1.1
84.04539	1.4
85.02888	1.9
86.06064	9.3
87.04453	2.3
96.04477	2.6
97.02880	15.7
98.06059	20.9
108.04486	1.9
111.04411	1.5
113.17525	1.3
120.08134	2.1
124.07553	1.6
125.05994	1.4
126.05490	2.7
127.03928	2.6
133.02895	2.6
134.05988	2.3
136.07570	1.4
137.05969	1.9
137.08356	21.1
138.05470	1.5
138.09085	1.8
139.03885	1.9
147.04413	2.5
148.07558	5.6
149.05901	1.4
150.08995	1.2
152.07076	6.1
152.42853	1.2
153.06613	1.5
161.02971	1.7
162.05472	6.9
165.05486	1.7
166.08621	100.0
167.03354	1.7
167.06926	1.8
168.07405	1.7
175.35493	1.1
176.07063	8.8
182.08035	4.1
183.06502	6.5
188.92474	1.4
194.08089	30.3
195.07774	1.3
212.05612	6.5
212.09163	83.4
212.12648	4.3
219.96115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1393
Annotation	Isouron
Peak:m/z	Relative Intensity
55.05507	0.3
57.03434	2.2
68.84003	0.3
72.04504	0.3
79.05499	0.5
81.07059	3.9
86.06059	1.3
87.04459	0.8
98.06019	0.4
99.08079	0.7
106.68430	0.3
112.03956	0.7
114.06650	27.7
124.07566	0.5
126.05530	1.4
127.03990	0.4
129.36548	0.3
134.06033	0.5
136.07552	1.7
137.06032	0.5
148.07578	0.8
152.07088	0.7
155.11743	0.6
163.03894	1.3
166.05051	0.5
166.08614	3.6
168.09872	0.8
168.11310	21.9
176.06989	0.5
180.06548	2.0
194.04517	0.7
194.08093	2.9
195.06516	1.6
210.91510	0.4
212.05614	4.4
212.09477	4.5
212.13939	100.0
233.32927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.0
55.05527	18.7
57.07086	13.4
58.06603	2.0
58.85906	1.3
61.48512	1.6
61.79116	1.6
67.05508	21.4
67.34003	1.4
69.07076	52.2
71.04977	2.1
71.08615	6.9
72.04530	2.2
72.08144	2.3
79.05488	9.6
81.07063	40.6
82.06561	1.8
83.04991	6.6
83.08624	57.9
85.06555	2.7
86.06062	3.8
86.09705	3.0
91.05491	2.4
93.07048	34.4
93.07577	2.9
95.08606	17.8
96.08125	5.9
97.06544	19.7
97.10162	7.6
100.07614	14.4
107.08608	25.0
109.10157	8.8
110.09696	6.9
111.08079	12.5
114.09170	9.4
117.07066	1.7
117.78120	1.8
121.10143	15.4
123.11706	3.5
124.11229	2.9
125.09624	3.0
125.13292	3.0
128.10728	1.9
131.08551	2.3
133.10144	2.6
135.11719	3.3
137.63011	1.5
138.12810	1.9
142.15948	1.5
149.13258	65.2
159.11725	9.2
166.15904	80.0
167.14323	19.4
169.15831	1.8
177.12764	3.8
184.16998	17.3
194.15463	2.6
195.13826	3.0
201.00728	1.8
212.16472	100.0
212.19800	2.9
213.14873	6.4
214.22368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	48.4
55.40602	4.8
55.50337	3.9
57.07074	29.9
67.05505	11.2
69.07077	86.4
71.08636	6.8
72.08163	6.3
79.05481	7.9
81.07053	35.7
83.04982	5.5
83.08629	65.3
84.08160	6.1
85.10206	5.5
86.06066	29.6
93.07056	18.6
95.08585	30.1
97.02908	8.9
97.06535	22.4
97.10155	57.5
98.06057	21.5
100.07639	25.7
107.08606	19.3
109.10165	6.5
111.05602	6.3
111.08090	24.5
111.11722	7.8
112.08704	5.3
114.09165	26.8
121.10152	40.7
125.09611	12.6
128.10756	9.9
135.11703	31.7
137.75554	5.5
139.11136	10.2
142.12260	6.1
152.07040	9.0
177.16385	52.8
195.17458	30.6
197.82472	4.8
212.09137	10.8
212.14476	8.0
212.16490	28.9
212.20078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	42.0
57.03438	5.0
57.07080	41.6
60.07232	4.1
63.48244	4.7
67.05509	9.9
69.07066	82.5
71.04981	6.7
71.08623	21.6
72.04495	5.9
72.08171	8.0
79.05473	7.9
79.43608	4.8
81.07063	24.9
83.04958	4.4
83.08617	59.5
86.06058	19.4
89.06403	5.4
93.07040	9.0
95.08619	33.8
97.06526	23.8
97.07630	5.7
97.10165	90.6
100.07597	33.6
105.42188	5.0
107.08585	20.8
109.10170	10.9
111.08075	24.2
111.11715	25.8
114.09151	26.5
121.10139	36.9
125.09639	18.6
128.10646	16.9
131.40985	4.4
135.11685	29.9
136.06245	6.0
139.11267	14.0
139.18318	4.2
140.35234	4.3
140.69408	5.3
153.16502	4.9
170.15503	4.9
170.19121	6.7
177.16356	61.9
195.17429	33.3
212.16566	11.0
212.20094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53174	4.0
53.33189	4.4
55.05518	34.4
56.68753	5.2
57.07081	42.3
67.05505	12.2
69.07069	96.4
71.08624	29.6
72.04519	6.0
79.05470	6.7
81.07065	32.4
83.04966	5.2
83.08627	59.1
85.06551	8.4
85.10205	5.4
86.06082	11.6
93.07052	12.2
95.08624	41.7
97.06529	12.2
97.10166	79.4
100.07600	25.9
101.08544	4.5
107.08612	33.3
109.10156	22.9
111.08079	10.7
111.11705	26.7
114.09174	22.5
121.10136	42.3
123.11674	6.4
125.09654	9.0
125.13307	5.8
135.11705	26.7
139.11212	22.8
142.12286	7.3
153.91788	5.1
155.37878	5.5
167.10651	9.9
177.16359	64.5
195.17442	30.7
200.51952	4.6
212.20049	100.0
212.23662	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56278	3.5
55.05528	54.3
57.07084	38.9
57.67777	4.0
60.59759	4.2
63.19747	3.7
67.05502	18.3
69.07072	95.9
69.08537	3.8
71.08622	21.7
72.08142	7.1
73.87984	4.4
73.88421	4.0
79.05486	6.6
81.07047	39.0
83.04972	5.0
83.08628	88.8
85.06532	4.8
85.10201	6.2
86.06078	29.5
93.07041	25.8
95.08600	38.4
97.06520	30.9
97.10177	100.0
98.06055	8.7
100.07617	27.9
107.08582	26.5
109.07583	5.2
109.10163	21.5
110.07145	5.8
111.05547	7.2
111.08070	22.7
111.11712	26.3
112.97341	4.6
114.09161	26.3
121.10130	49.4
125.09606	7.3
128.10716	23.7
135.11661	8.0
139.11214	6.6
149.13286	5.0
153.11349	8.9
153.12614	7.0
177.16353	78.3
183.93686	5.1
195.17462	39.6
205.74609	5.0
212.20096	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32406	5.9
55.05512	35.7
57.07079	34.0
57.40341	7.4
67.05495	11.0
69.07073	82.8
71.08630	8.4
79.05499	8.2
81.07063	46.0
83.08622	74.1
86.06061	17.1
87.27016	6.1
92.21586	7.4
93.07034	9.9
95.08620	49.6
97.02879	7.3
97.06526	42.0
97.10159	70.4
98.06049	10.5
100.07609	43.3
107.08608	17.1
111.08101	9.6
111.11723	13.3
113.26108	7.0
114.09140	12.1
121.10107	33.8
124.46745	6.9
125.09666	7.9
126.15682	6.3
127.03879	9.7
127.82113	6.3
128.10646	9.2
135.11664	17.8
137.86874	7.5
140.01804	8.5
147.96719	8.0
157.92572	7.0
158.55847	7.6
165.97667	9.8
166.15907	28.0
177.16374	52.8
183.89429	8.6
194.08110	9.0
195.17484	29.1
212.07204	13.3
212.09120	13.8
212.16536	33.3
212.20093	100.0
234.16153	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	GEIR-1
Peak:m/z	Relative Intensity
52.99495	0.3
53.60392	0.3
55.01860	0.8
55.05510	0.4
55.56803	0.3
67.05499	2.0
69.03436	0.6
70.06598	3.5
72.08152	0.5
74.11707	0.3
79.05488	0.7
81.03476	0.3
81.07067	0.6
86.09696	2.2
87.04430	0.4
91.05486	2.9
93.07034	2.2
95.04980	2.5
95.08598	1.2
97.02874	0.7
99.04463	0.7
99.06437	0.4
105.07047	0.7
107.04961	0.4
107.08562	0.6
111.08090	0.4
113.05947	0.5
116.07069	0.7
119.04928	3.9
121.06508	1.4
135.22217	0.3
137.05984	1.6
139.03940	0.5
139.07547	0.8
141.05452	0.5
149.05954	2.0
151.07507	0.6
153.05435	0.6
155.07031	9.0
157.06497	0.8
160.61754	0.4
167.07054	5.6
177.05464	0.8
183.06606	0.5
185.04448	17.2
185.06075	0.8
195.06454	0.9
195.08212	0.4
203.05479	2.9
213.07570	100.0
213.16019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
52.17366	0.3
55.01865	1.9
55.05515	0.4
55.79664	0.3
58.02272	0.3
60.28849	0.3
62.95059	0.3
65.03943	0.5
70.06583	2.1
73.02517	0.8
73.02921	21.4
75.89365	0.4
81.03442	0.5
107.04945	0.8
109.02872	4.9
109.06492	0.4
121.06376	0.4
124.03902	0.4
125.02320	0.6
125.05982	0.4
126.03149	3.1
135.04410	2.0
136.24527	0.4
141.04422	0.7
141.05475	19.4
153.05461	2.2
157.04967	4.1
165.04265	0.4
165.05420	2.9
167.03392	100.0
167.07043	8.5
195.06563	20.6
195.08406	3.2
213.03284	0.6
213.07707	7.6
213.12347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Gelsemide
Peak:m/z	Relative Intensity
51.08138	0.9
57.02968	0.9
57.03428	1.1
69.03437	1.1
70.06572	4.7
71.01357	15.2
73.02906	1.3
76.92162	1.0
79.05474	2.1
87.03946	1.6
87.04465	31.7
97.02913	8.7
97.06539	9.3
107.04944	1.8
109.02870	1.3
123.04426	14.5
125.02356	44.7
125.05968	1.8
127.03906	42.3
135.04405	6.1
139.03900	11.2
141.05464	1.5
145.37158	1.0
149.05988	5.5
151.03828	1.6
153.05466	38.2
167.03403	10.8
167.07007	11.9
177.05460	51.7
195.06525	97.3
196.13271	1.3
213.07571	100.0
213.12273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.79535	0.8
51.21325	0.7
58.70910	0.9
59.23094	0.8
61.02932	8.3
65.03954	1.8
73.02914	2.5
79.05507	10.1
91.05470	1.9
93.03403	4.0
95.04967	2.2
95.36258	1.0
107.04953	24.4
109.02856	1.1
109.16537	1.0
110.03653	19.1
110.06046	5.0
111.04453	10.4
114.05486	1.2
121.06499	7.0
123.04453	1.0
125.00489	1.0
125.05064	2.1
125.05990	64.5
127.98026	1.2
133.02852	10.1
133.09715	1.1
135.04410	31.7
136.09677	1.1
137.05956	4.6
141.05484	5.3
149.05983	28.5
150.03093	7.1
151.03911	100.0
151.04988	5.3
153.05467	19.3
156.11375	1.1
163.03889	9.8
165.05467	45.3
167.03372	20.2
167.07031	24.3
177.05463	24.9
195.06528	19.9
195.08174	1.7
213.07513	9.5
213.12328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
52.54885	0.6
54.85249	0.7
55.01861	1.0
58.21700	0.6
64.77466	0.6
73.02919	22.4
98.51298	0.7
103.35034	0.7
107.35931	0.7
109.02903	3.8
116.29684	0.8
125.05978	0.8
126.03131	3.4
132.27312	0.8
132.41605	0.7
135.04326	1.0
135.09192	3.7
141.05475	18.8
149.10736	3.3
153.05452	1.3
153.06590	0.7
157.04959	4.4
161.95297	0.6
165.05473	4.3
167.03387	100.0
167.07054	4.7
177.05437	0.8
177.10229	7.7
195.06520	22.8
195.11290	3.5
213.05672	1.2
213.07579	10.6
213.12318	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.90383	0.6
61.02922	8.4
65.03944	2.9
69.79552	0.6
70.06593	3.1
72.08154	1.3
73.12036	0.6
75.32645	0.6
79.05489	11.4
85.66663	0.6
86.09702	4.0
91.05466	0.9
93.03405	3.9
95.04958	2.6
98.02445	1.1
98.06110	0.6
104.51456	0.7
105.07028	0.8
107.04951	22.4
109.06514	1.1
110.03667	17.4
111.04444	8.2
121.06487	9.2
122.03654	1.2
124.03967	3.3
125.05991	67.5
125.09689	0.7
133.02856	11.0
135.04413	28.6
137.05942	3.5
141.05515	1.3
148.48717	0.7
149.05984	25.9
150.03142	7.3
151.03906	100.0
151.04967	5.5
153.05472	16.5
153.06601	1.9
163.03899	7.2
163.43736	0.8
165.05463	45.0
167.03386	1.3
167.07013	17.1
167.08301	0.8
177.05455	20.9
179.73840	0.7
195.06500	17.2
213.05765	1.2
213.07454	8.6
213.12267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.83902	0.6
59.39849	0.6
60.94743	0.6
61.25623	0.7
70.06582	1.4
79.05493	3.6
82.70775	0.7
91.05490	1.0
103.05468	3.9
105.07019	3.0
107.04957	45.3
109.02927	0.9
109.20347	0.6
110.03694	1.2
115.05442	1.3
117.06969	0.8
121.06521	0.9
123.04424	1.4
124.05222	1.6
125.06017	7.3
131.04933	1.5
135.04396	1.3
135.08057	14.8
139.07539	0.8
140.04538	0.6
140.41882	0.7
145.07649	1.0
146.29349	0.8
149.06033	2.4
151.03917	7.5
152.04712	1.4
153.05434	1.0
154.06267	2.8
163.07527	27.9
165.05466	4.1
167.07031	100.0
180.07817	2.6
195.06546	1.6
195.10185	14.8
213.09138	1.1
213.11139	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.9
70.06578	5.8
76.90756	0.7
79.05490	1.5
80.05030	1.1
87.05567	0.8
95.04942	3.0
95.71792	0.7
98.02392	4.1
106.96125	0.7
107.04948	18.1
109.91122	0.7
121.06449	0.8
122.05980	0.9
122.08385	3.6
123.04389	3.4
123.08272	0.8
123.09161	9.6
123.25937	0.7
124.03924	7.5
125.03515	0.9
125.05916	0.8
132.06924	0.8
132.08217	0.8
134.08397	1.6
135.04419	6.8
135.09174	63.3
136.03931	0.8
139.03992	1.1
139.08664	3.4
140.04683	29.4
142.04982	1.4
145.98167	0.8
147.09187	10.0
148.09958	3.2
149.06033	0.9
149.10739	49.6
151.03938	1.3
151.08635	11.8
153.05464	4.8
155.07018	20.8
159.09132	7.4
163.03879	19.4
165.10158	6.1
167.03360	3.3
167.06989	7.9
177.10216	100.0
190.99483	0.8
195.06476	6.3
195.11282	46.0
213.12329	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1233
Annotation	Pro-Pro
Peak:m/z	Relative Intensity
50.41632	1.4
56.96531	1.4
57.23330	1.4
59.85799	1.6
61.02921	4.6
70.06583	8.9
73.02917	12.2
77.56100	1.6
78.36086	1.9
81.84354	1.8
93.34772	1.9
107.64594	2.0
116.71436	2.2
123.09212	12.5
125.31111	2.0
129.85770	2.0
135.09177	62.8
139.08629	3.3
141.05475	8.1
147.09171	9.3
149.10739	48.7
151.08669	7.9
151.49940	1.7
159.09163	3.9
164.28874	1.8
165.10234	9.8
167.03391	39.0
177.10229	100.0
177.11797	3.5
195.06496	7.6
195.11296	49.8
213.07538	2.5
213.12335	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
52.79414	1.1
55.05499	1.4
56.79603	1.1
57.94712	1.4
62.04821	1.3
63.80223	1.2
65.91242	1.5
67.05502	3.2
69.07068	2.5
71.04999	3.3
81.07043	6.0
93.07043	1.8
99.01936	1.3
105.07024	7.9
107.08578	2.0
109.10264	1.4
119.08579	3.0
129.07034	2.8
131.08589	2.2
133.15118	1.4
142.07788	1.7
143.08536	18.0
153.07018	2.8
155.08505	19.0
156.09319	11.5
157.10114	14.6
159.11679	2.1
165.06979	21.9
167.08551	6.2
169.10107	9.6
170.10887	7.4
171.08031	2.9
171.11662	46.1
172.08818	3.2
180.09311	30.2
183.08090	2.3
185.13269	8.1
195.11688	85.2
198.10422	9.9
213.12735	100.0
213.16180	22.5
213.24126	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.40448	0.7
51.76432	0.6
53.03957	1.3
55.01881	1.4
55.05519	16.3
57.03433	4.3
57.07075	1.5
67.05512	69.0
69.07070	25.7
71.04993	5.4
78.16367	0.8
79.02354	0.9
79.05500	36.4
81.03426	4.4
81.07064	100.0
83.04979	7.9
83.08620	22.2
85.06541	4.3
91.05485	22.6
93.07045	61.8
95.04975	5.8
95.08607	29.2
97.06522	13.3
97.10173	1.3
105.07046	8.4
107.08595	38.5
109.06521	1.7
109.10152	4.4
111.08067	7.0
117.07019	11.4
119.08630	3.7
120.96529	1.0
121.06487	4.1
121.10136	12.5
123.11697	8.4
129.06966	1.0
131.08556	12.3
133.10129	25.0
133.11053	1.7
135.08081	1.5
135.11687	20.3
145.10092	1.0
147.11613	1.0
149.01059	0.9
149.13243	27.8
151.11217	2.0
157.10129	1.3
159.11685	20.4
159.79662	1.0
167.14351	1.0
167.81728	0.9
171.11652	1.3
177.12756	5.0
195.13797	15.7
200.16670	0.9
213.09206	1.0
213.12828	1.3
213.16502	8.7
218.79440	0.9
223.40273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.94325	1.0
55.01882	1.5
55.05523	12.1
57.03448	1.3
57.07084	2.2
65.67664	1.2
67.05512	69.0
69.07069	25.6
71.04993	9.0
79.05502	38.0
81.03416	5.2
81.07065	100.0
83.04984	6.6
83.08624	24.5
85.06551	7.4
85.10201	1.6
88.07633	1.7
91.05473	22.3
91.77628	1.3
93.07049	59.8
95.04971	7.5
95.08607	37.8
97.06533	13.8
97.10165	2.0
101.03991	1.3
105.07025	9.1
107.08607	35.8
109.06521	2.2
109.10164	5.4
111.08080	2.6
117.07016	8.9
119.08557	2.1
121.06528	2.0
121.10131	16.0
123.11698	9.7
131.08546	15.6
133.10130	25.0
135.08069	5.5
135.11682	20.1
143.08591	2.0
145.10190	2.1
149.13263	29.3
151.11139	2.1
157.10086	5.3
159.11717	14.2
169.47307	1.3
171.11717	2.0
173.55231	1.5
177.12785	5.0
185.13214	2.0
195.13821	21.3
213.12749	6.0
213.14799	1.5
213.16473	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.16434	1.3
55.01866	2.6
55.05519	14.1
57.03434	2.7
67.05511	60.6
69.03472	1.7
69.07069	24.5
71.04986	3.8
79.05495	32.1
81.03426	3.8
81.07062	100.0
83.04978	6.4
83.08628	26.3
85.06561	3.8
90.89648	1.6
91.05474	22.7
93.07042	55.9
95.04961	6.8
95.08601	24.9
97.06535	12.6
99.08088	1.7
99.78336	1.7
105.07028	15.3
107.08588	38.5
109.10141	3.4
111.08111	6.2
117.07015	11.3
119.08560	7.3
121.06546	2.3
121.10161	13.8
123.11723	4.0
131.08563	14.3
133.10136	22.5
135.11670	20.7
143.08595	3.3
145.10136	3.2
149.13266	38.0
149.81400	1.7
157.10126	15.0
159.11659	14.6
171.11649	12.2
177.12703	2.7
190.96725	1.9
195.12051	2.2
195.13817	21.3
213.12605	2.0
213.16331	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.51115	1.4
55.01873	6.4
55.05517	26.1
67.05506	16.8
69.03416	3.9
69.07060	7.3
71.04995	51.3
74.23520	1.4
79.05505	13.1
81.07065	21.5
83.04981	2.3
83.08628	27.6
85.06551	3.7
87.04453	9.7
89.27370	1.8
91.05466	3.5
92.20996	2.3
93.07012	14.2
95.08585	10.7
97.06532	78.7
97.10169	57.2
107.04977	1.8
107.08596	17.4
109.10162	12.6
111.08067	2.8
117.07007	2.5
121.10134	2.6
125.09619	39.3
131.08522	3.9
133.10123	3.8
135.08095	6.0
135.11650	3.1
149.09615	2.2
149.13347	6.3
159.11632	2.0
167.07019	2.9
175.82253	1.7
177.12769	6.8
189.11232	6.5
195.13802	38.9
213.09155	1.8
213.14853	100.0
231.88092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(2S-cis)-5-(Acetyloxy)-5-methyl-2-(1-methylethyl)-cyclohexanone
Peak:m/z	Relative Intensity
50.50652	1.7
53.00338	2.5
55.05506	3.8
57.07089	24.8
57.97753	1.7
61.11082	1.9
64.05246	1.9
66.75472	1.7
67.05514	19.6
69.07059	9.7
71.05002	2.3
71.08636	14.7
71.08954	1.7
78.87124	2.2
79.05505	22.7
81.07071	15.6
83.04971	8.8
83.08596	2.0
85.10190	93.8
91.05490	3.7
93.07047	24.9
95.08622	19.3
97.06547	4.4
99.08107	17.4
107.08608	16.1
109.10167	3.2
111.04431	9.1
113.08897	3.9
113.09654	100.0
113.10446	4.0
119.08600	2.0
121.10163	8.4
125.05982	2.1
135.11703	11.6
149.13260	26.4
153.12750	71.7
153.13945	3.4
157.10191	2.3
159.11784	2.3
167.14316	7.7
171.13780	2.6
195.13803	8.7
203.22345	2.2
213.12849	2.6
213.14828	64.5
213.16452	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.17329	1.3
53.82602	1.2
55.05517	13.5
57.03439	3.5
57.07079	1.6
57.24999	1.3
63.15571	1.5
67.05514	65.7
69.07072	24.9
71.04992	6.1
79.05502	29.4
81.07063	100.0
83.04992	6.1
83.08627	20.9
85.02884	1.4
85.06544	6.1
88.07640	2.1
91.05476	15.3
92.21524	2.4
92.36058	1.6
93.07044	65.8
95.04968	7.5
95.08607	22.9
96.86663	1.7
97.06540	13.6
97.10146	2.5
100.29681	1.4
105.07031	6.2
107.08603	30.0
109.10165	2.9
111.08087	7.2
114.85808	1.6
117.07012	10.5
121.10142	14.6
123.09772	1.4
123.11697	7.4
131.08572	12.0
132.95787	1.6
133.10127	20.4
135.08044	2.0
135.11705	22.9
143.01341	1.5
149.13260	35.1
159.07372	1.5
159.11696	13.7
167.14359	1.4
177.12746	5.5
181.04970	3.4
195.13837	8.6
213.05434	2.3
213.09041	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01903	2.0
55.05510	15.5
55.05756	2.0
57.03435	13.4
57.07109	2.0
60.17240	1.8
67.05507	76.2
69.07072	22.4
70.07605	1.9
71.04990	10.2
79.05503	27.8
81.03413	3.0
81.07058	100.0
83.04971	10.1
83.08622	16.2
85.06547	3.7
87.01558	2.1
91.05484	17.3
93.06488	3.6
93.07047	71.1
95.04953	4.0
95.08602	30.0
97.06523	13.0
97.42233	2.1
105.06986	3.7
107.08595	40.7
109.10165	3.5
111.08075	10.4
117.07011	10.9
121.10106	18.4
123.11695	2.2
131.08577	14.6
133.10138	17.9
135.08086	2.3
135.11664	13.3
149.13237	52.5
153.82890	2.6
157.10139	3.0
159.04219	2.4
159.11687	23.1
160.72845	2.4
165.07004	2.4
177.12756	10.7
195.11833	4.3
195.13826	14.6
195.15596	2.8
213.09088	5.6
213.12701	4.6
213.16496	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08442	0.6
55.05518	0.8
56.01471	0.6
57.16798	0.6
57.80167	0.5
61.56364	0.6
64.68123	0.5
67.05496	3.7
69.07075	1.2
79.05486	1.5
81.07079	5.6
82.22023	0.6
83.08625	1.3
85.16012	0.6
91.05468	3.1
93.07038	5.4
93.67126	0.6
95.08588	4.3
99.64931	0.6
105.07037	6.9
107.08604	3.7
108.69141	0.6
109.10127	0.7
117.07011	2.6
119.08560	4.6
121.10173	1.4
128.06161	0.9
129.07030	6.2
131.08551	6.3
133.10117	4.2
135.11722	0.7
142.07779	0.8
143.08556	9.5
145.10123	8.1
147.11702	1.1
156.09360	1.5
157.10118	23.3
159.11665	3.2
169.10059	1.1
171.11673	22.1
184.12437	1.6
185.13283	5.7
198.13989	1.3
213.12839	3.9
213.16379	100.0
227.42297	0.7
231.35324	0.6
234.08815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56289	0.1
55.05511	0.3
57.03439	0.2
57.07081	3.6
67.05496	1.2
69.07064	1.2
70.06557	0.2
71.04975	0.4
71.08627	1.7
74.06080	2.7
76.12232	0.2
79.05510	0.9
81.07040	1.5
83.08605	1.1
85.10179	0.8
86.06062	0.3
87.46902	0.2
88.07629	13.4
92.20966	0.3
93.07035	1.2
95.08588	1.2
100.07598	0.3
102.09180	6.9
105.07009	1.3
107.08568	0.4
116.10735	1.8
119.08575	1.5
121.10142	0.3
129.06941	0.4
131.08527	0.2
133.10120	0.2
143.08563	1.8
148.96881	0.2
149.13246	0.4
153.12761	0.2
157.10114	1.8
171.11693	2.2
171.13020	0.3
172.16948	100.0
178.05000	0.2
185.13271	0.2
190.18021	0.2
196.16994	0.7
198.13928	0.2
213.12607	0.3
213.14523	0.3
213.16396	5.5
213.19604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1073
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
67.05502	1.2
69.07045	1.2
70.06586	1.4
74.54456	1.0
75.37354	0.9
83.50812	1.2
87.04452	1.1
91.05466	2.1
93.07015	5.6
94.06573	7.5
95.04945	1.3
96.08155	1.3
107.97588	0.9
108.08137	7.5
109.06548	4.1
110.06039	9.3
119.04897	1.5
121.06567	1.5
122.06024	60.2
123.04431	2.4
124.07585	1.4
136.07578	34.0
137.05984	1.6
138.38272	1.2
139.07570	1.3
140.07068	100.0
154.08624	27.4
156.10208	2.2
164.07024	7.9
165.05449	2.4
168.10178	4.2
169.08614	2.3
182.08124	23.2
196.09726	16.8
214.06979	1.5
214.08815	2.7
214.10725	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68525	0.2
56.96571	2.9
67.19089	0.2
69.03451	0.3
70.06595	2.3
80.82632	0.2
81.03440	0.3
82.06597	2.4
85.02889	0.4
87.08161	0.2
97.02881	0.5
100.07614	13.9
100.99113	0.5
110.97676	0.2
116.00243	0.3
119.00203	0.2
128.07074	100.0
128.98575	0.3
133.04236	0.3
145.03520	0.9
155.00140	0.5
165.00804	0.2
168.10181	16.8
173.01233	1.3
173.02812	0.4
191.02393	0.3
191.03957	0.3
196.09631	0.4
208.99725	0.2
214.10727	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
70.06593	20.4
74.82402	0.6
75.43072	0.8
76.02395	0.8
82.06586	0.7
84.08183	0.7
87.04482	1.5
91.05494	3.3
93.07032	7.3
94.06569	50.7
99.04462	1.0
100.07652	1.0
103.05492	4.6
107.13307	0.7
112.07600	4.7
121.06507	100.0
122.02443	0.7
128.07077	3.9
130.08699	5.9
130.09500	0.9
148.78008	0.8
168.10144	0.9
168.13850	1.0
196.09750	1.5
196.13336	0.8
214.06963	1.2
214.12271	31.1
214.14394	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
70.06593	20.4
74.82402	0.6
75.43072	0.8
76.02395	0.8
82.06586	0.7
84.08183	0.7
87.04482	1.5
91.05494	3.3
93.07032	7.3
94.06569	50.7
99.04462	1.0
100.07652	1.0
103.05492	4.6
107.13307	0.7
112.07600	4.7
121.06507	100.0
122.02443	0.7
128.07077	3.9
130.08699	5.9
130.09500	0.9
148.78008	0.8
168.10144	0.9
168.13850	1.0
196.09750	1.5
196.13336	0.8
214.06963	1.2
214.12271	31.1
214.14394	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81874	0.4
55.05522	10.3
57.03444	0.8
57.07076	2.0
62.20964	0.5
67.05511	24.1
67.28772	0.4
69.07075	17.5
71.04997	2.8
78.99741	0.5
79.05490	5.0
81.07061	43.5
83.04987	0.7
83.08624	18.1
83.81423	0.5
85.06540	10.9
90.97643	0.6
91.05477	4.3
93.07043	4.9
95.08608	100.0
97.06548	7.4
97.10191	4.7
99.08086	3.1
101.06018	0.9
105.07048	4.3
106.21324	0.5
107.08636	1.0
109.06536	0.6
109.10162	24.5
111.08085	2.3
115.07558	0.8
119.08594	8.4
121.10147	2.9
123.08080	2.7
127.07581	0.5
133.10138	5.9
134.89920	0.6
135.11710	5.5
137.13251	7.4
140.49420	0.5
141.09148	0.6
147.82585	0.5
151.14816	2.4
160.13373	0.5
161.11890	0.9
161.13245	26.2
179.14316	14.1
196.16985	1.0
197.15366	6.8
214.18068	5.8
215.16481	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41569	1.1
52.82210	1.2
55.05506	8.1
58.30410	1.2
63.17937	1.1
67.05510	30.0
69.07065	19.7
71.04989	2.2
79.05482	6.2
81.06612	2.4
81.07061	44.3
83.08627	17.9
85.06535	12.8
91.05447	2.3
93.07047	5.6
95.08607	100.0
97.06527	8.3
97.10178	3.0
99.08108	1.9
105.07027	4.9
108.38051	1.5
109.10159	20.1
111.37509	1.2
119.08562	11.1
121.10169	1.6
123.08035	2.4
133.10147	8.3
135.11694	2.3
137.09637	1.9
137.13246	5.7
161.13246	29.6
172.64517	1.3
179.14301	14.3
196.17014	2.2
197.15350	7.6
214.17975	6.4
215.16457	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.7
57.07082	4.0
65.20378	0.7
67.05178	1.4
67.05513	25.6
69.07070	16.9
71.04994	3.2
71.08648	1.5
75.04491	0.7
76.29398	0.9
79.05510	4.2
81.07063	45.7
83.08625	16.4
85.06563	8.7
85.10210	0.8
90.94849	1.1
91.05468	4.5
93.07059	1.8
95.08613	100.0
97.06536	9.9
97.10189	5.5
98.98475	9.0
99.08090	3.6
105.07040	5.3
107.08638	3.1
109.10159	22.1
111.08118	1.8
119.08601	9.0
121.10197	0.9
123.08106	1.3
133.10123	8.8
135.11713	5.1
136.07462	0.9
137.09592	1.3
137.13223	6.2
149.96066	1.6
151.14816	1.9
158.20451	0.9
158.42982	0.9
161.13258	27.6
164.31049	0.8
171.60843	0.9
179.14323	12.8
196.17018	1.2
197.15373	8.1
214.18088	5.6
214.25304	18.0
215.16393	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34913	1.1
55.05513	7.8
57.07066	1.4
65.93027	1.2
66.01508	1.3
66.15425	1.1
67.05511	28.3
69.07068	13.7
71.04994	3.1
79.05519	4.8
81.07060	37.6
83.08613	15.8
85.06543	8.7
87.97723	1.3
91.05539	2.0
93.07044	3.3
95.08610	100.0
97.06522	7.4
97.10170	5.8
98.98482	1.4
99.08071	1.5
105.07052	2.0
109.10146	27.1
119.08572	8.1
121.10159	1.6
133.10136	8.8
135.11690	6.5
137.13281	6.3
137.45953	1.7
151.14851	2.4
156.38480	1.6
161.13248	25.8
179.14342	11.0
197.15350	6.4
197.89095	1.6
201.57159	1.5
214.18063	2.0
214.25272	8.3
215.16458	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.1
57.07082	2.5
67.05508	24.0
69.07079	19.3
71.04996	2.6
75.78978	1.7
79.05499	7.6
81.07063	42.7
82.02134	1.7
83.08620	17.1
85.06544	9.7
90.94843	3.1
91.05462	2.3
91.89902	1.7
93.07031	2.6
95.08603	100.0
97.06551	8.5
99.08065	2.7
100.30040	1.7
105.07059	2.1
107.08625	2.2
109.10159	27.5
119.08578	10.1
120.71949	1.9
121.10106	3.0
133.10072	3.4
135.11711	3.7
137.13243	2.4
149.96046	2.5
161.13234	23.0
167.97162	3.0
179.14313	15.9
186.45169	1.8
197.15355	4.4
214.10724	3.1
214.17963	7.0
214.25275	3.4
215.16447	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52174	0.9
54.66011	0.9
55.05514	9.0
57.07075	2.4
65.82284	0.9
67.05508	25.2
69.07075	17.0
71.04984	5.6
71.08653	1.4
79.05489	4.6
81.07058	40.2
82.64332	1.0
83.08627	18.7
85.06543	6.6
90.94797	2.1
91.05473	2.3
92.48914	0.9
93.07052	5.3
95.08604	100.0
97.06509	9.2
97.10166	4.7
99.08067	1.7
105.07063	1.8
107.08569	2.1
109.10164	24.0
111.08055	1.6
119.08545	7.5
121.10133	1.9
131.81747	1.4
133.10118	8.1
135.11684	5.8
137.09509	1.6
137.13272	6.5
146.26540	1.1
149.94008	2.0
149.96077	1.6
151.14851	2.1
161.13242	24.6
177.81586	1.1
179.14261	13.5
190.66084	1.3
196.17012	6.5
197.15408	5.2
214.10741	1.5
214.18001	14.5
214.21585	1.6
214.25285	2.6
215.16299	3.8
218.33842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16621	0.6
55.05522	9.3
57.03425	0.8
59.96453	0.7
67.05511	29.2
68.05811	0.9
69.07072	15.1
71.04992	4.8
72.93797	1.2
78.58891	0.7
79.05496	5.1
81.07066	40.7
81.07549	1.4
82.07382	0.9
83.08626	18.6
85.06549	10.8
90.03829	0.9
90.94809	1.6
91.05468	3.2
93.07061	5.7
95.08611	100.0
97.06538	7.5
97.10166	5.1
99.08073	1.8
105.07048	3.9
107.08585	1.7
109.10160	22.0
111.08083	1.5
113.09604	0.9
113.96403	1.0
115.07572	0.8
119.08595	8.9
120.62522	0.7
121.10147	3.7
123.08045	1.5
127.07569	1.1
133.10132	7.5
135.11681	5.7
137.13242	6.6
149.94086	1.8
149.96095	4.3
150.13574	1.1
151.14792	1.6
161.13252	24.4
167.97127	3.9
172.97632	0.8
179.14308	13.1
196.16913	0.8
197.15401	6.8
198.21773	0.8
201.54120	0.6
214.08701	1.2
214.10817	1.2
214.18050	4.0
215.16472	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
81.97752	3.6
84.34791	3.6
88.17541	3.5
100.02481	15.1
101.00874	6.9
107.38430	4.5
108.04464	8.9
111.04108	5.7
118.03520	60.2
119.01910	27.5
126.04034	4.5
127.03572	8.3
129.05099	55.2
130.03485	16.3
136.04555	20.0
138.05580	5.4
142.03514	4.1
144.05087	34.3
145.04593	26.0
147.06136	40.2
148.04555	15.5
150.05466	4.2
154.03517	16.2
156.06583	6.2
160.04570	5.8
162.06085	5.8
167.08154	5.0
170.02930	15.9
171.06116	9.5
172.04550	38.8
173.04056	68.6
174.02548	5.0
180.01384	8.6
188.04021	16.2
190.05621	5.6
191.05157	33.1
198.02431	7.9
215.05148	100.0
215.10344	5.0
216.03604	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69801	2.1
60.33646	1.9
61.76071	2.1
63.02365	2.0
63.07737	2.3
72.08144	9.3
78.62174	2.1
81.03426	8.8
92.21513	2.6
101.06023	2.8
108.04496	3.0
110.06122	2.1
119.01866	3.0
121.60969	2.4
123.05597	3.0
127.03925	2.2
128.07059	2.5
134.06044	2.8
136.07562	3.1
150.05519	2.9
152.07115	3.2
156.06566	5.3
167.08109	3.5
180.06532	3.6
197.04208	4.5
197.09204	3.9
197.83195	2.7
198.07565	5.2
215.05269	100.0
215.10298	17.5
215.13933	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69801	2.1
60.33646	1.9
61.76071	2.1
63.02365	2.0
63.07737	2.3
72.08144	9.3
78.62174	2.1
81.03426	8.8
92.21513	2.6
101.06023	2.8
108.04496	3.0
110.06122	2.1
119.01866	3.0
121.60969	2.4
123.05597	3.0
127.03925	2.2
128.07059	2.5
134.06044	2.8
136.07562	3.1
150.05519	2.9
152.07115	3.2
156.06566	5.3
167.08109	3.5
180.06532	3.6
197.04208	4.5
197.09204	3.9
197.83195	2.7
198.07565	5.2
215.05269	100.0
215.10298	17.5
215.13933	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1429
Annotation	7-Hydroxycadalene
Peak:m/z	Relative Intensity
55.15265	3.7
67.05494	5.2
72.03791	3.3
81.07070	22.4
93.07059	27.8
95.08599	4.3
105.07019	6.4
107.08588	7.3
109.02195	3.6
117.06992	5.4
131.08562	8.5
135.08015	4.9
135.30739	3.4
138.59810	3.6
143.08569	8.2
145.10088	5.0
155.08516	4.5
157.10133	44.0
171.11678	19.3
172.12465	68.6
173.09567	3.8
173.13254	71.4
182.10921	7.2
187.14929	5.0
195.57095	4.5
197.13277	21.4
200.11995	8.3
215.14346	100.0
215.17915	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.143
Annotation	4,7-Dimethyl-2-(1-methylethyl)-1-naphthalenol
Peak:m/z	Relative Intensity
54.02517	0.7
55.05517	1.4
57.41881	0.7
59.47032	0.7
67.05494	3.5
69.07059	1.2
79.05492	4.6
81.07054	5.5
83.08615	1.2
89.75182	0.9
89.87064	0.8
91.05480	7.5
93.07014	3.0
95.08636	5.8
103.05482	1.2
104.19434	0.7
105.04136	0.9
105.07038	10.1
107.04971	4.8
107.08612	1.2
109.10130	1.7
117.07047	6.3
119.08572	4.4
121.10144	1.4
129.07027	3.4
131.04942	21.2
131.08595	7.5
133.06474	3.7
133.10130	1.1
141.07031	1.8
143.08537	1.9
144.84608	0.8
145.06491	7.7
145.10167	7.5
147.08086	1.4
155.08551	4.5
159.08063	2.0
159.11696	3.8
169.10112	1.6
173.09608	3.7
173.13245	3.6
187.14819	17.8
197.13217	3.4
215.14314	100.0
215.17886	10.0
222.20564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0654
Annotation	Robustine
Peak:m/z	Relative Intensity
53.61974	0.3
55.98329	0.3
64.67723	0.3
67.62048	0.3
69.07059	0.4
75.01864	0.3
77.03620	0.3
79.05457	0.5
81.66805	0.3
85.02899	0.8
86.09682	1.4
95.08585	0.8
97.24467	0.3
113.50841	0.3
121.00809	2.5
121.10108	0.4
135.11710	0.5
137.15828	0.3
139.01819	5.6
144.02353	1.6
144.21011	0.3
144.40901	0.3
147.39154	0.4
151.93806	1.4
162.03375	2.2
170.11769	0.6
174.05472	5.9
181.12212	0.4
190.04968	2.1
198.05482	11.8
198.14914	2.4
199.13341	0.4
207.47101	0.4
216.06546	100.0
219.88670	0.4
235.25343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.7
55.05527	0.6
56.05045	1.9
58.06621	0.9
58.18613	0.4
60.04530	0.5
66.09677	0.5
67.06226	0.4
70.06610	2.2
72.08167	3.2
73.02934	2.9
81.03447	0.5
82.06596	0.7
83.04959	0.4
83.90028	0.6
84.04511	30.2
84.08155	5.0
87.04464	0.8
98.06066	0.8
99.04481	5.0
100.03992	8.2
100.07621	0.7
102.05550	36.5
102.82822	0.5
105.59940	0.5
110.06068	1.1
112.07633	1.0
116.07108	0.8
118.05022	11.0
124.07538	0.9
126.05537	1.0
126.09152	1.0
128.07045	0.5
138.05525	0.8
152.07104	0.7
156.06558	100.0
157.08600	2.7
170.08112	2.9
198.07600	1.8
198.11261	4.7
216.06592	3.4
216.08640	24.0
216.12198	14.1
216.15730	0.7
232.24107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16106	0.5
59.13371	0.4
63.50754	0.4
65.67807	0.5
70.06596	0.5
91.05496	1.2
93.07047	5.5
95.04965	0.9
96.04490	22.5
98.06049	2.6
98.09703	0.5
103.05452	1.3
109.65504	0.5
117.22420	0.6
121.06503	100.0
138.30431	0.5
144.10197	0.7
216.10242	13.1
216.12273	2.5
216.15994	0.5
218.04964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16106	0.5
59.13371	0.4
63.50754	0.4
65.67807	0.5
70.06596	0.5
91.05496	1.2
93.07047	5.5
95.04965	0.9
96.04490	22.5
98.06049	2.6
98.09703	0.5
103.05452	1.3
109.65504	0.5
117.22420	0.6
121.06503	100.0
138.30431	0.5
144.10197	0.7
216.10242	13.1
216.12273	2.5
216.15994	0.5
218.04964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02982	0.3
55.05511	0.4
56.96563	1.0
62.86112	0.2
65.50358	0.2
67.05507	0.4
68.05041	2.6
81.07068	0.4
86.09702	3.1
91.05497	3.5
93.07047	7.0
94.06562	0.4
95.04951	1.5
103.05451	3.3
107.04948	1.4
121.00791	0.5
121.06502	100.0
128.10695	2.3
129.03831	0.3
131.04938	0.4
139.01825	0.6
158.05997	0.3
170.09610	1.1
170.11789	2.2
184.09328	0.6
188.10692	16.9
198.09164	0.6
211.27205	0.3
216.10126	3.5
229.78685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1229
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
55.05495	1.5
56.96578	1.1
58.06609	1.6
70.06585	7.2
71.04971	2.0
72.08123	4.9
73.23848	1.2
73.49061	1.0
82.06570	1.6
83.04970	1.6
84.08144	75.4
86.06049	6.2
86.09705	1.4
87.04453	7.5
96.04483	1.7
97.02824	1.4
99.04444	1.8
102.09180	18.6
112.07606	2.4
121.06506	10.0
126.09176	3.0
128.07030	2.0
129.31689	1.3
130.08632	39.8
130.94968	1.2
142.06119	1.2
142.08661	20.7
147.72969	1.5
152.10751	1.4
156.10188	6.1
165.97914	1.4
167.59700	1.2
170.11748	100.0
174.01553	1.9
174.99113	4.8
175.04512	8.8
178.24606	1.2
180.10121	1.5
192.02542	1.3
193.00128	2.7
198.06110	2.2
198.07707	2.4
198.11253	16.8
216.06772	2.3
216.08678	2.4
216.10381	4.4
216.12274	73.6
216.14360	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06255	0.4
55.05511	1.2
56.98537	0.4
57.03437	2.9
57.07096	1.7
58.06616	1.0
60.40147	0.4
67.05508	6.0
67.47586	0.5
69.07071	23.2
70.06576	0.6
71.04976	2.5
71.08619	1.2
72.04520	0.5
72.08157	1.1
73.40644	0.5
73.47640	0.5
79.05505	5.8
81.07054	6.8
82.06559	0.7
83.04980	2.2
83.08619	5.0
84.08134	0.9
85.06540	1.2
86.06046	2.5
86.09688	0.8
91.05524	0.5
92.90466	0.5
93.07043	11.6
95.08620	7.2
96.08126	0.7
97.06535	10.0
100.07639	5.8
100.08965	0.5
106.15635	0.5
107.08601	12.3
109.10151	3.4
110.09670	0.6
111.08097	4.8
111.11700	6.6
114.09158	5.8
118.22148	0.5
121.09354	0.5
121.10078	3.6
128.10678	1.1
128.14316	1.0
133.93010	3.8
135.11694	39.1
138.99806	0.5
139.82454	0.6
145.10135	2.5
151.94083	7.7
152.14339	27.3
153.12741	22.3
163.11191	5.6
169.95065	0.6
170.15366	9.9
174.95685	0.6
180.13814	3.2
181.12198	2.4
198.14885	100.0
199.13297	3.3
217.14308	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1593
Annotation	N-Nonanoylglycine
Peak:m/z	Relative Intensity
53.90870	1.2
57.03437	1.9
57.07087	2.2
67.05502	5.6
67.65710	1.3
68.36011	1.5
69.07069	26.0
71.04975	2.2
72.08147	1.9
79.05496	6.0
80.30321	1.3
81.07047	8.4
83.04951	1.4
83.08599	5.7
85.06577	1.3
86.06065	1.9
86.09678	1.3
93.07040	13.0
95.08601	6.5
97.06541	11.0
100.07629	7.0
101.46429	1.5
107.08592	12.8
109.10165	6.1
111.08055	3.2
111.11714	6.6
114.09183	2.2
114.33833	1.7
121.10149	1.9
129.01877	1.4
135.11696	38.7
145.10095	2.5
152.14331	32.6
153.12750	20.8
163.11162	2.4
170.15404	10.5
180.13843	5.7
193.91261	1.6
198.14891	100.0
203.96138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.7
67.05515	3.9
69.07077	26.5
72.08143	1.9
79.05482	9.4
81.07050	7.5
83.08640	4.4
92.90400	3.4
93.07037	10.8
97.06526	10.8
107.08594	11.7
109.10165	2.1
111.08108	3.2
111.11716	8.9
114.09186	3.3
116.19888	1.6
116.97176	2.2
121.10135	3.0
130.34776	1.9
133.93039	15.2
135.11699	37.4
151.94072	37.8
152.14334	27.0
153.12701	17.8
153.89021	1.9
161.98636	1.7
169.95168	2.2
170.15414	12.2
174.95660	3.4
180.13776	4.1
198.14880	100.0
199.13373	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1594
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
57.07058	0.4
62.23349	0.4
70.25443	0.4
73.18998	0.4
83.45080	0.4
85.28794	0.4
86.09706	100.0
93.07015	0.6
112.05817	0.4
116.10712	0.6
117.45614	0.4
121.06503	12.6
128.10710	57.6
139.01801	0.5
170.11752	55.6
174.14894	10.8
188.10736	2.5
216.06593	0.5
216.15921	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09976	1.6
52.96161	1.8
54.57322	1.6
55.01880	2.0
55.05517	44.9
57.07085	25.3
59.04985	2.3
67.05495	13.4
69.07068	59.3
69.07433	2.4
71.04997	3.9
71.08620	13.4
71.91855	2.0
72.08158	8.6
79.05495	9.5
81.07057	44.5
83.04983	3.0
83.08620	100.0
85.06528	11.4
86.06040	7.8
86.09698	3.5
93.07056	20.9
95.08598	33.2
97.06540	32.1
97.10167	71.2
99.08128	2.7
100.07603	15.4
107.08590	53.5
109.10168	15.8
111.07343	3.6
111.08056	33.4
111.11732	3.6
114.09136	10.5
114.39104	2.0
115.07552	3.3
118.08651	2.8
121.00785	2.5
121.10127	37.0
123.11687	3.7
125.09651	16.2
128.10704	3.6
135.11693	13.1
138.12582	2.2
139.01820	13.8
139.11200	5.0
139.14874	2.3
157.97304	2.3
162.03572	2.5
163.14810	95.7
181.15846	56.8
198.18517	21.9
216.06505	4.3
216.19559	14.1
234.52176	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02343	1.3
54.16183	1.4
84.17242	1.7
85.01425	2.4
101.00899	19.9
103.02478	9.4
106.73752	1.7
119.01917	67.4
120.03245	2.7
121.01688	1.9
121.03448	2.9
127.02438	8.4
131.01933	9.4
131.04893	2.1
137.02930	12.7
145.03464	100.0
145.04561	3.4
146.04817	2.2
147.01401	2.9
156.97478	2.5
163.04517	24.6
171.01395	7.2
174.98523	3.2
175.03905	3.1
189.02467	22.9
193.02016	2.7
194.90698	1.8
197.66298	1.7
207.03557	3.8
216.99698	4.1
217.01903	3.7
217.05077	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41403	0.8
53.03960	1.1
55.01887	1.3
55.05517	0.9
56.96572	3.5
57.03436	1.2
61.02933	1.3
61.66142	0.8
63.27298	0.8
69.03426	7.1
70.06574	1.1
71.04967	1.0
72.08137	7.4
73.02905	4.3
81.03427	5.6
84.08119	1.7
85.02884	5.9
85.08487	1.0
87.04449	1.0
97.02876	5.4
98.97573	5.7
99.04473	8.0
101.00877	12.8
103.02397	1.5
105.02040	1.8
109.02895	1.1
111.04475	1.1
116.98595	1.7
117.05486	1.9
119.01922	64.9
122.06745	1.0
123.03069	1.0
127.03923	1.6
128.02319	1.8
128.98607	1.1
129.00905	0.9
130.02740	1.3
131.01915	1.5
132.02539	1.7
133.03377	1.4
137.02979	15.4
138.02596	1.1
139.03352	1.5
143.00134	1.8
145.03464	23.2
147.03120	3.7
149.01189	1.2
149.05890	1.0
155.00122	1.5
157.03435	1.7
158.08168	1.7
159.02988	3.8
161.01198	4.3
163.04472	7.3
168.03606	18.2
169.03465	5.8
171.01372	1.3
171.05026	1.4
171.12004	2.3
173.01224	9.4
173.02917	4.8
175.02980	1.6
175.04512	14.3
177.04166	8.8
187.04521	100.0
189.02466	4.7
191.02271	7.3
191.03816	1.1
199.04503	51.9
205.03833	1.0
205.05569	29.3
207.03598	1.4
215.02338	1.4
217.05554	99.6
217.12640	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
57.03428	0.5
69.03413	0.8
77.00861	0.6
81.03425	7.4
82.37962	0.5
82.99845	0.7
84.08113	0.6
98.97548	2.3
99.04482	5.3
101.00861	9.2
103.02442	1.2
103.43697	0.5
116.98608	1.2
118.03499	0.9
119.01917	60.1
120.02094	0.9
127.04207	1.3
127.23636	0.5
129.03905	0.6
131.01910	1.1
133.03490	2.7
134.02982	2.9
135.84799	0.5
137.02963	16.7
138.96404	3.2
139.02443	0.5
143.01912	0.9
145.03461	11.9
150.05817	2.2
153.03961	1.1
156.97473	62.8
157.03455	16.9
157.04547	0.7
159.04938	0.6
161.02937	3.5
163.04462	4.5
168.05043	0.7
169.03365	4.2
171.01408	8.7
171.02818	1.1
171.03554	0.8
171.05034	12.5
173.02957	2.7
174.98523	62.4
175.02936	1.2
175.04507	23.8
176.02318	0.8
176.04628	7.7
181.03398	2.4
187.04518	58.5
189.02467	3.0
189.06093	4.1
193.05530	1.0
194.03043	3.4
194.04906	1.2
194.06636	4.5
198.98537	46.2
199.04509	100.0
205.03842	0.9
205.05588	19.2
212.07637	0.7
216.96312	1.5
216.99590	67.8
217.05559	90.7
217.09055	2.2
217.15500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.98730	0.9
69.07055	1.5
87.91060	1.2
91.05471	2.6
95.08539	1.1
96.69945	0.9
105.06999	1.0
108.71156	1.0
115.05459	4.3
128.06206	5.1
129.06996	61.3
129.07962	2.2
129.29298	1.1
131.08563	25.7
133.10207	1.2
135.04427	1.3
136.11981	1.3
141.06995	34.6
143.04889	2.5
143.08534	1.2
144.05676	1.2
145.06410	1.5
156.05693	1.8
157.06480	63.2
157.10106	1.3
159.08055	23.7
161.05878	1.9
169.06418	21.9
169.07533	1.3
172.05161	4.5
173.05952	12.1
186.06769	4.9
187.07536	91.0
189.09090	10.1
199.07521	37.9
199.15099	2.7
202.06172	1.5
217.08591	100.0
217.15875	2.6
221.92976	1.1
225.52879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0857
Annotation	3,4-Methylenedioxycinnamylideneacetone
Peak:m/z	Relative Intensity
52.34625	1.5
68.60477	1.4
91.05495	1.9
107.36210	1.9
115.05434	2.1
128.06258	4.1
129.06989	13.4
131.02072	1.5
131.08559	3.6
143.08517	2.1
144.05659	3.0
146.07286	2.1
153.23985	1.6
156.05681	2.3
157.06491	9.9
159.08038	21.6
161.09615	22.1
171.08022	9.1
172.05177	54.8
174.06770	11.2
178.85442	1.8
184.05182	12.5
185.05984	4.1
186.06757	3.6
187.07530	68.5
189.05414	3.5
189.09145	8.3
199.07535	100.0
202.06171	2.7
214.24617	1.7
217.08600	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
58.54899	0.6
67.02576	0.6
75.93591	0.7
91.05478	2.9
100.60165	0.8
115.05430	5.5
117.07014	1.6
128.06216	5.2
129.06999	63.6
131.04886	1.8
131.08560	28.9
135.04396	1.6
141.06992	32.4
143.04933	3.5
143.08592	1.4
144.05656	1.3
145.06485	1.3
151.83972	0.7
157.06477	60.9
159.08047	26.8
159.11720	4.7
161.05966	1.3
169.06473	21.7
169.07776	1.3
172.05202	4.4
173.05942	9.4
185.05927	1.0
186.06754	6.3
187.07532	97.8
189.09103	6.7
199.07536	39.0
199.14658	1.1
217.08594	100.0
217.15852	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
51.21007	0.8
53.66294	0.7
55.05516	1.7
67.05508	2.5
69.07072	1.9
79.05478	1.4
80.52596	1.0
81.07069	6.9
83.04940	1.1
83.08611	1.0
88.46526	0.9
91.05491	9.8
93.07028	2.1
95.08616	9.0
96.38102	0.9
99.48919	1.1
105.07032	7.2
107.08588	7.0
109.10139	7.8
115.05444	4.8
117.07024	5.1
119.08563	8.7
121.10135	6.6
123.11697	4.0
128.06233	5.0
129.07001	45.5
131.04814	3.3
131.07654	1.7
131.08562	28.3
133.06520	1.1
133.10115	7.3
135.04387	1.4
135.11653	1.1
141.06990	26.6
143.08554	4.0
144.05693	2.2
145.06441	1.9
145.10100	1.6
147.11700	3.2
151.96063	0.9
153.22041	1.0
157.06477	48.8
157.10120	5.0
158.31880	1.1
159.08029	19.5
159.11719	1.4
161.06081	1.3
161.13240	7.1
169.06487	18.8
171.11768	1.8
172.05161	1.3
173.05972	8.7
173.13309	1.2
175.11102	1.7
175.14857	1.3
183.45554	1.0
186.06735	2.4
187.07539	88.5
189.09087	6.5
199.07526	30.1
199.09344	1.3
199.14793	6.2
200.65607	1.1
202.06255	1.2
217.08598	100.0
217.12187	5.4
217.15880	17.8
217.19476	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
53.05572	0.6
56.32640	0.6
59.43110	0.7
65.98367	0.8
68.15941	0.7
77.03954	0.7
80.14847	0.6
81.03394	0.8
81.07056	1.6
87.47705	0.9
90.16454	0.7
91.05470	3.3
93.07025	0.9
95.08622	1.0
98.14818	0.9
105.07041	1.6
115.05447	1.9
117.07047	1.8
119.08587	1.9
125.76415	0.7
128.06227	1.8
129.07013	35.4
131.04890	1.1
131.08562	14.6
133.06514	1.0
133.10088	1.0
135.04359	1.2
141.05991	1.2
141.06999	19.5
143.08522	3.0
144.05725	0.8
145.06520	1.3
145.10118	1.2
156.05670	5.0
157.06493	31.6
157.10118	0.9
159.08073	12.7
161.05940	1.4
161.09654	0.9
169.06482	13.4
171.11682	1.3
172.05191	1.3
173.05978	6.2
174.06723	1.3
175.07428	1.0
184.05173	0.8
186.06746	1.3
187.07547	50.9
189.09055	6.2
199.07533	21.9
199.11159	0.8
199.14857	1.2
202.06252	7.3
217.08597	100.0
217.12247	5.5
217.15822	7.7
217.19463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
57.03439	1.4
67.05495	1.5
69.03439	1.2
73.02933	2.2
81.07055	2.1
85.02878	1.6
91.05482	2.3
93.07049	1.3
95.08585	2.1
98.97594	1.7
105.07036	2.8
107.04960	2.8
115.05481	2.8
119.08567	4.9
121.06548	1.8
128.06261	4.8
129.07004	54.6
129.07962	2.1
130.51616	1.1
131.08560	21.5
133.06459	1.7
133.10129	2.6
135.04523	1.4
135.08046	2.4
141.06987	25.9
143.08582	4.7
145.10078	1.7
147.08047	1.3
147.11626	1.5
156.05722	2.4
157.06488	51.4
157.10162	2.5
158.99707	1.6
159.08057	21.3
159.11635	3.0
161.05974	2.3
161.09586	7.4
169.06459	16.0
171.08037	1.2
172.05254	3.0
173.05962	5.1
173.13223	1.7
174.06726	1.5
175.07722	1.3
175.11142	2.3
186.06831	1.6
187.07535	79.1
189.09082	2.9
199.07541	32.1
199.14888	5.1
202.06349	2.5
217.08603	100.0
217.15849	20.2
217.19395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	O-Desmethylnaproxen
Peak:m/z	Relative Intensity
50.83157	1.1
53.03950	1.7
55.01646	1.5
55.01878	28.0
57.03430	1.8
67.05486	2.6
67.91723	1.0
69.03421	15.5
69.04533	1.2
69.07058	1.2
71.05000	1.2
73.02907	9.2
75.02010	1.2
81.03429	12.5
85.02896	8.5
85.86996	1.1
86.06052	1.6
91.05455	1.5
97.02865	7.8
99.04448	4.1
109.02837	4.9
109.10132	7.0
111.04324	1.1
115.05390	4.4
117.06957	2.2
127.03889	11.9
128.06206	20.3
128.37910	1.1
129.06987	4.7
131.04892	2.3
131.08533	1.3
137.09723	1.4
137.51408	1.3
141.06972	2.6
143.08537	8.0
145.06482	5.8
153.06982	6.4
155.04857	1.3
155.08553	1.9
155.10622	5.9
156.05618	1.7
157.06447	10.5
158.07227	12.9
159.08031	7.3
171.08002	23.8
173.11725	10.4
174.28249	1.2
181.06441	2.9
181.08661	1.3
183.10173	2.3
187.07539	6.1
189.09065	4.5
199.07559	21.5
217.05054	5.1
217.08563	100.0
217.13226	2.5
233.17570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51793	0.3
58.17731	0.4
59.81018	0.4
61.19330	0.5
74.02444	5.9
80.01378	0.4
125.91405	0.4
130.06548	0.6
132.08073	0.9
135.90517	0.4
144.08086	100.0
156.08156	0.7
171.09177	2.9
173.10744	0.8
188.07094	0.5
217.09711	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
55.51793	0.3
58.17731	0.4
59.81018	0.4
61.19330	0.5
74.02444	5.9
80.01378	0.4
125.91405	0.4
130.06548	0.6
132.08073	0.9
135.90517	0.4
144.08086	100.0
156.08156	0.7
171.09177	2.9
173.10744	0.8
188.07094	0.5
217.09711	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
52.66323	0.9
56.05038	1.1
59.91783	1.1
69.29785	1.2
86.09699	1.8
88.68913	1.1
98.97726	1.0
100.21097	1.2
106.06552	2.5
130.06532	12.0
143.07187	1.5
144.08086	58.3
145.07617	34.2
146.09651	15.5
154.06532	5.1
156.08064	5.3
158.08398	22.5
171.09149	24.3
172.26904	1.2
173.10736	100.0
178.91637	1.4
184.06358	6.7
199.08710	10.1
200.07057	1.7
202.07483	1.6
217.09741	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66323	0.9
56.05038	1.1
59.91783	1.1
69.29785	1.2
86.09699	1.8
88.68913	1.1
98.97726	1.0
100.21097	1.2
106.06552	2.5
130.06532	12.0
143.07187	1.5
144.08086	58.3
145.07617	34.2
146.09651	15.5
154.06532	5.1
156.08064	5.3
158.08398	22.5
171.09149	24.3
172.26904	1.2
173.10736	100.0
178.91637	1.4
184.06358	6.7
199.08710	10.1
200.07057	1.7
202.07483	1.6
217.09741	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1069
Annotation	Longiflorone
Peak:m/z	Relative Intensity
53.03948	3.0
53.43301	1.3
55.01881	4.2
55.05515	10.0
56.18767	1.5
57.03436	10.9
60.81067	1.7
61.02927	8.3
64.20226	1.4
67.05511	7.8
69.03432	100.0
69.07053	4.0
70.06591	2.3
71.01357	1.6
71.04982	4.1
73.02900	3.7
73.06551	8.6
78.75236	1.9
79.05498	7.8
81.03424	33.3
81.07066	17.9
83.04990	29.7
85.02903	20.5
85.06532	8.6
86.09711	3.5
87.04465	11.4
91.03954	2.7
91.05466	3.7
93.07043	15.7
95.04960	15.8
95.08604	11.6
96.04482	8.8
97.02901	13.3
97.04812	3.0
97.06527	24.1
99.04451	12.8
104.07085	2.9
105.07022	6.2
106.73078	1.6
107.08590	9.0
109.06501	29.4
111.04430	9.3
113.06008	39.1
115.03961	1.9
117.07023	3.3
121.06514	35.5
122.06833	44.8
123.04469	2.1
123.08079	21.7
125.05988	3.6
127.03938	7.9
127.07539	3.5
129.05461	2.5
133.06476	2.6
135.08060	10.6
139.07526	10.5
144.08009	1.9
145.04977	6.8
151.07550	19.0
153.09097	6.7
163.07532	7.9
169.08606	15.2
181.08557	12.6
181.50568	1.8
187.09669	10.3
199.09641	12.0
217.04907	2.5
217.10828	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1071
Annotation	Longiflorone
Peak:m/z	Relative Intensity
54.25730	3.2
55.01884	5.0
55.05518	7.3
57.03439	28.9
61.02917	6.4
62.17112	3.1
69.03431	100.0
69.07081	5.6
71.04991	16.1
73.02914	17.3
79.05433	3.9
81.03416	42.5
81.07046	7.7
83.04985	29.2
85.02903	46.9
85.06547	5.5
87.04457	4.5
87.06375	3.5
93.07041	4.1
95.04977	16.6
97.02880	23.7
97.06526	20.1
99.04433	14.5
103.03979	3.9
109.06510	17.3
111.04440	18.2
111.08066	4.8
113.05991	8.6
115.03959	3.8
121.06487	3.6
127.03898	34.0
127.07533	23.0
129.05473	27.9
135.08095	6.3
139.07532	18.1
145.04916	3.7
181.08591	23.5
188.23663	4.7
188.25462	3.7
199.09648	16.9
217.10745	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.107
Annotation	Longiflorone
Peak:m/z	Relative Intensity
53.03947	5.5
55.01878	5.2
55.05514	23.7
55.73927	4.1
57.03448	41.8
57.04317	3.9
60.05331	4.0
60.82247	3.7
61.02952	6.1
61.11761	4.7
61.61862	4.4
67.05513	6.1
69.03435	100.0
69.07050	5.3
71.04996	21.1
71.49949	3.6
73.02911	11.0
77.60246	4.3
81.03419	44.1
81.07062	18.5
83.04970	42.0
85.02902	64.2
85.06546	8.9
93.07051	4.4
95.04981	9.0
97.02896	11.7
97.06532	27.8
99.04452	19.6
99.28699	4.6
103.03936	6.5
109.06512	28.0
111.04454	9.6
113.05992	6.1
127.03888	44.0
127.07533	21.1
129.05482	48.7
135.08096	9.3
139.07564	25.5
144.43208	4.6
149.29604	4.9
151.07478	8.7
157.08659	5.7
171.08041	4.6
181.08617	30.8
182.65985	4.5
199.05435	5.6
199.09654	24.9
200.12819	6.4
217.10213	25.1
217.13327	7.1
223.02174	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
55.01876	6.9
57.07082	2.6
69.07082	13.1
72.08177	2.1
81.03429	2.8
85.02927	2.4
91.05454	1.7
105.07055	2.0
105.75618	1.8
107.76331	1.8
108.62882	1.6
109.02898	2.8
112.68619	1.5
115.05431	2.6
123.04407	10.6
123.07275	1.6
129.07014	12.8
137.06020	1.7
143.04930	3.6
143.08565	7.3
144.08051	1.7
147.04453	3.1
148.05176	2.0
149.05960	13.4
156.05597	2.0
157.06476	16.0
160.05305	2.0
161.05989	62.9
162.06720	2.2
171.08057	4.2
171.11671	8.7
174.06717	1.9
175.07556	57.5
188.08330	9.7
189.09055	9.3
199.11162	11.2
199.49002	1.8
217.08786	3.8
217.12227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1434
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.05531	8.1
57.07071	3.0
61.01125	3.7
66.17065	3.0
67.05499	19.7
69.07072	83.9
69.32422	3.3
71.04977	3.3
79.05505	8.1
81.07049	25.7
83.08623	19.4
84.95498	3.3
91.05479	8.6
93.07042	40.1
95.08602	26.2
97.06543	27.5
101.05975	3.6
101.57996	3.5
107.08602	37.4
109.10165	14.7
111.11740	14.6
116.30488	3.3
119.08583	7.8
121.10138	8.7
131.08549	4.3
133.10135	19.6
135.11703	100.0
143.08604	4.1
145.10117	16.5
153.12752	52.9
159.11671	7.1
161.13200	4.1
164.39430	3.7
167.45355	3.6
187.07582	5.8
199.14815	7.3
217.12367	7.7
217.14171	47.2
217.16022	17.5
217.19556	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43045	0.9
55.05525	11.2
57.06840	1.4
57.07081	13.3
58.19800	1.0
67.05508	5.7
68.05903	1.0
69.07078	100.0
71.08643	1.7
72.04507	8.4
72.08183	1.2
81.07069	1.9
83.05013	1.2
83.08634	35.1
85.10195	2.5
86.06070	2.7
86.09711	14.0
87.09998	8.5
92.20893	1.5
93.07034	4.5
95.08622	2.2
96.08764	1.0
97.06530	2.7
100.07621	5.0
107.08617	5.0
109.10182	4.5
111.08075	2.4
111.11699	2.8
114.09152	1.7
125.13245	4.5
128.10716	7.2
129.11050	8.3
135.11676	6.0
144.28250	1.2
156.05693	4.5
170.11711	1.3
171.12080	12.8
173.42801	1.1
199.14978	1.3
200.12756	13.2
200.27834	1.4
201.55434	1.1
202.06213	1.5
217.08658	11.7
217.15479	17.7
218.13878	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
52.02810	1.3
52.03026	1.3
55.05524	4.0
57.03422	1.2
67.05502	12.0
67.46827	1.4
69.07057	2.9
71.04977	1.3
79.05502	16.1
81.07050	14.6
83.08622	2.3
91.05479	36.8
91.67049	1.6
93.07056	13.5
95.05000	2.1
95.08587	10.3
97.06513	1.8
99.08078	2.8
102.23521	1.4
103.05408	1.8
105.07041	33.9
107.04972	2.4
107.08592	9.1
109.10122	3.3
109.29359	1.7
113.09619	2.1
117.07024	21.2
119.08585	33.1
121.06476	2.8
121.10129	10.2
123.08069	1.9
129.06989	19.5
131.08554	23.5
133.10165	13.5
135.08044	3.2
143.08546	15.9
145.10139	3.5
147.11717	2.1
153.31384	1.9
157.10100	12.5
161.13173	2.1
164.44115	1.6
171.11691	8.8
173.13216	2.3
189.16414	1.9
199.07494	1.9
199.14836	22.6
217.08635	4.0
217.15875	100.0
217.19232	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
55.01892	0.7
55.05523	5.5
67.05513	16.6
69.07068	4.4
79.05495	15.8
81.07065	12.7
82.52752	0.7
83.04988	0.9
83.08598	5.4
84.98774	0.6
85.06527	1.5
91.05482	45.9
92.20976	0.8
93.06480	1.0
93.07049	18.4
95.04959	1.6
95.08613	12.1
97.06551	1.4
97.10167	1.6
97.65112	0.7
99.08089	1.2
103.05479	1.5
105.03421	1.4
105.07036	43.0
107.04989	5.6
107.08604	9.2
109.06493	2.7
109.10160	4.2
109.76829	0.7
113.09663	0.9
115.05474	1.3
117.06175	0.9
117.07011	29.0
119.08579	36.5
121.06506	4.5
121.10136	8.2
123.08062	0.9
128.06174	1.2
129.06996	18.3
131.08562	25.8
133.06448	0.7
133.10129	16.5
135.08060	4.0
135.11685	1.2
142.07753	0.8
143.08559	12.6
145.10152	6.1
147.11678	1.1
157.10152	12.4
159.11673	1.5
171.11713	5.7
173.13240	1.6
175.14751	1.0
189.16377	4.9
199.14833	20.1
217.08562	1.1
217.15878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
52.22344	2.2
54.01557	2.0
55.05524	4.8
55.47533	2.3
67.05501	17.6
69.07080	10.0
69.18187	2.2
79.05494	25.7
81.03400	2.8
81.07066	26.1
83.08629	4.4
91.05487	38.2
93.07034	23.3
95.04973	4.5
95.08623	17.9
97.06543	3.8
105.07032	45.5
107.04952	3.1
107.08591	17.9
108.32679	2.8
109.06525	10.0
117.07013	30.9
119.08599	33.8
120.52948	2.5
121.06477	6.3
121.10130	5.6
128.06244	3.6
129.06967	24.7
131.08562	33.0
133.10143	20.3
134.49448	2.7
135.08047	4.6
135.11659	10.0
141.06941	9.4
142.61560	2.6
143.08574	22.3
144.82677	3.2
145.10088	11.0
147.08150	2.9
147.11714	8.9
157.06465	10.7
157.10144	20.9
159.10455	2.4
159.11702	16.1
171.11687	12.5
173.13239	3.8
175.14828	5.8
187.07545	15.6
189.16325	2.9
196.03183	2.9
199.07552	4.7
199.14848	23.6
217.08536	32.9
217.12187	9.6
217.15874	100.0
217.19211	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
50.10740	1.0
54.77327	1.0
55.05505	5.1
57.03400	1.2
57.71834	1.1
67.05525	10.0
69.03436	1.6
69.07075	2.5
79.05496	12.7
81.07050	16.0
83.08598	1.8
91.05479	37.1
93.07054	13.9
95.04972	2.1
95.08601	14.4
105.07033	25.6
107.04951	2.2
107.08606	11.5
109.10149	6.2
115.05436	2.2
117.07021	39.8
119.08586	32.9
121.10148	13.1
128.06274	2.0
129.06999	33.1
131.08563	48.0
133.10124	26.7
135.08054	7.9
135.11696	2.1
137.09592	2.2
139.28624	1.3
141.06982	8.7
143.08583	20.2
145.10159	11.8
147.08063	1.8
147.11682	8.0
149.09647	2.4
156.09322	1.3
157.06474	14.8
157.09135	1.3
157.10143	17.2
159.08038	8.4
159.11650	5.8
161.06081	1.5
161.09619	2.2
161.13214	5.1
169.06467	2.9
171.11653	10.3
173.06061	1.2
173.13312	11.8
175.11180	3.1
175.14792	2.5
187.07532	22.9
189.09067	1.6
189.12770	2.8
189.16368	7.1
199.07524	9.5
199.11359	1.7
199.14810	41.2
217.08575	40.9
217.12328	3.5
217.15865	100.0
217.19446	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.05505	0.6
55.80772	0.3
56.05842	0.4
62.79091	0.3
65.91058	0.3
66.39023	0.4
67.05490	0.4
69.03413	0.4
72.04507	2.4
78.22858	0.3
81.03411	0.6
83.04984	0.7
86.06039	0.4
86.61120	0.5
99.04451	2.6
116.98506	1.0
118.04999	5.7
144.97946	0.6
154.12309	0.8
157.01613	0.4
172.03891	5.5
190.04980	100.0
193.00044	0.5
218.04466	43.0
218.08096	4.2
218.10066	0.7
218.11800	1.0
218.15492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.05505	0.6
55.80772	0.3
56.05842	0.4
62.79091	0.3
65.91058	0.3
66.39023	0.4
67.05490	0.4
69.03413	0.4
72.04507	2.4
78.22858	0.3
81.03411	0.6
83.04984	0.7
86.06039	0.4
86.61120	0.5
99.04451	2.6
116.98506	1.0
118.04999	5.7
144.97946	0.6
154.12309	0.8
157.01613	0.4
172.03891	5.5
190.04980	100.0
193.00044	0.5
218.04466	43.0
218.08096	4.2
218.10066	0.7
218.11800	1.0
218.15492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83474	0.2
55.01908	0.3
59.94058	0.2
62.71896	0.3
67.76021	0.2
69.03446	0.3
76.93630	0.3
85.02914	0.4
89.54885	0.2
90.06532	0.2
98.06031	1.2
99.04443	1.3
112.50453	0.3
121.06517	3.8
147.06859	0.3
148.69997	0.3
175.06274	12.5
176.07040	1.2
190.04987	0.4
218.08237	2.9
218.11765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1175
Annotation	SECURININE
Peak:m/z	Relative Intensity
50.75208	0.2
58.75087	0.2
60.34867	0.2
69.64595	0.2
70.27904	0.2
74.01238	0.2
84.97234	0.2
95.96710	0.2
96.73090	0.2
116.05732	0.2
118.28902	0.2
121.06511	0.5
129.75301	0.2
138.04419	0.2
162.06335	0.9
175.06264	8.8
175.07695	0.4
176.07857	0.5
188.07072	0.3
218.11754	100.0
229.28448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75208	0.2
58.75087	0.2
60.34867	0.2
69.64595	0.2
70.27904	0.2
74.01238	0.2
84.97234	0.2
95.96710	0.2
96.73090	0.2
116.05732	0.2
118.28902	0.2
121.06511	0.5
129.75301	0.2
138.04419	0.2
162.06335	0.9
175.06264	8.8
175.07695	0.4
176.07857	0.5
188.07072	0.3
218.11754	100.0
229.28448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	(plusmn)-Propionylcarnitine
Peak:m/z	Relative Intensity
57.03448	2.0
60.08170	8.8
64.54130	0.3
67.05501	1.8
69.03441	0.3
72.08157	0.6
73.02915	0.3
81.03410	0.5
84.04475	0.3
85.02908	100.0
85.06540	0.6
86.06091	0.4
87.04443	0.5
88.04052	0.3
92.65201	0.3
97.02894	0.5
98.06060	0.4
99.04449	0.8
107.24184	0.3
113.40347	0.3
125.02665	0.4
142.08719	0.3
144.10181	3.2
145.03456	0.5
153.05724	1.4
154.08630	0.5
159.06522	9.8
172.06348	0.3
172.09688	2.6
207.03387	0.4
218.08142	1.5
218.11751	4.5
218.13794	23.3
231.03418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
60.08170	8.8
64.54130	0.3
67.05501	1.8
69.03441	0.3
72.08157	0.6
73.02915	0.3
81.03410	0.5
84.04475	0.3
85.02908	100.0
85.06540	0.6
86.06091	0.4
87.04443	0.5
88.04052	0.3
92.65201	0.3
97.02894	0.5
98.06060	0.4
99.04449	0.8
107.24184	0.3
113.40347	0.3
125.02665	0.4
142.08719	0.3
144.10181	3.2
145.03456	0.5
153.05724	1.4
154.08630	0.5
159.06522	9.8
172.06348	0.3
172.09688	2.6
207.03387	0.4
218.08142	1.5
218.11751	4.5
218.13794	23.3
231.03418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	3.3
57.35509	0.5
70.06596	5.8
71.08617	1.4
86.06113	0.6
88.07625	17.2
102.09184	3.6
106.08663	9.8
117.33999	0.7
119.17570	0.7
121.76002	0.6
133.55309	0.6
156.17456	2.6
200.20070	10.6
204.37053	0.6
218.21140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	3.8
64.43288	0.6
70.06602	6.9
71.08614	3.4
72.44491	0.5
75.94412	0.6
87.68214	0.6
88.07632	14.5
94.30990	0.6
102.09180	2.9
106.08663	9.1
109.10151	0.6
111.72228	0.6
121.10762	0.6
126.97093	0.6
135.84946	0.6
140.02521	0.7
156.17439	1.3
174.18553	0.9
200.20094	10.3
218.21146	100.0
234.64079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	4.8
61.19521	0.4
63.55558	0.5
70.06594	6.2
71.08621	2.7
72.61027	0.5
88.07638	14.8
89.54175	0.5
92.21477	0.8
102.09187	5.4
106.08681	9.0
156.17505	1.2
174.18529	1.2
200.20105	8.2
218.21144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34060	0.5
57.07069	3.6
62.93636	0.4
70.06595	5.8
71.08614	3.6
72.81590	0.5
78.20641	0.6
80.30057	0.6
86.06049	0.6
88.07115	1.0
88.07624	14.4
88.28294	0.5
99.54739	0.5
102.09195	4.5
106.08675	8.7
156.17467	1.1
174.18535	0.7
200.20097	9.5
209.52031	0.5
218.21138	100.0
226.52740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
84.52980	35.9
91.52991	36.4
113.41991	42.2
129.01442	100.0
173.02950	88.5
178.99837	39.5
180.67572	40.4
196.04559	53.0
214.05705	47.2
219.02690	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08505	43.0
95.67271	43.5
105.19692	41.7
109.01788	45.7
119.01938	90.4
201.02443	59.4
219.02824	100.0
219.13486	51.9
236.67656	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0974
Annotation	5-L-Glutamyl-L-alanine
Peak:m/z	Relative Intensity
56.05046	1.8
65.03917	1.1
72.08157	8.3
74.06084	1.5
82.06652	1.0
84.04505	100.0
84.08143	6.9
85.02930	2.2
86.09704	36.7
86.33228	1.1
87.04412	1.2
88.04000	1.4
90.05553	71.7
93.03391	2.3
102.05544	7.6
110.06057	1.5
112.07605	6.3
121.02890	1.8
128.07077	11.2
128.71458	1.2
130.05000	43.7
130.08701	1.2
150.26732	1.0
156.06546	63.1
156.10138	1.7
160.05997	1.3
163.12689	1.2
173.09073	1.5
184.09740	2.1
189.46701	1.1
200.98340	2.3
202.07103	19.9
219.09698	18.6
219.13393	2.2
236.31392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.00319	1.1
57.38517	1.4
78.33712	1.3
81.07031	2.5
85.63564	1.3
91.05477	2.5
91.24575	1.3
96.27878	1.4
97.96848	1.6
105.07053	3.3
116.06235	1.6
117.98247	1.6
125.58279	1.7
128.06215	2.9
129.07019	18.4
131.04901	2.5
131.08556	24.6
133.10139	6.2
137.05951	1.6
138.26151	1.6
141.06987	17.6
144.05730	1.8
145.06488	1.8
157.06485	16.6
158.07251	9.5
159.08061	19.2
160.05136	2.0
169.06461	13.6
170.07260	7.2
173.05965	2.7
174.06752	44.8
175.07538	11.6
186.06783	12.6
187.07434	1.7
189.09103	75.5
190.07773	7.2
191.06882	2.5
191.08560	37.7
191.10513	5.3
201.09059	28.8
219.08020	100.0
219.10170	70.8
219.17381	3.6
229.07430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.05093	0.8
55.05498	1.1
60.93969	1.1
65.45268	0.9
69.07053	1.5
71.05004	1.4
76.29020	1.1
80.51023	1.0
81.07053	6.5
82.90565	1.0
91.05474	7.1
93.07005	1.7
94.96187	1.1
95.08582	2.4
97.06532	1.3
105.07045	14.0
107.04936	1.8
107.08595	2.0
109.06474	1.3
109.10166	3.8
115.05438	4.4
117.07002	2.4
117.83075	1.2
119.08601	6.0
120.87848	1.1
121.06519	2.2
121.10112	2.3
125.09642	1.2
128.06258	4.4
129.07001	26.7
131.04897	4.9
131.07646	2.1
131.08566	39.0
133.10136	16.4
134.74089	1.2
135.11713	1.7
137.05980	1.6
140.45602	1.0
141.06973	24.7
143.04897	1.4
143.08562	1.7
144.05679	5.4
145.06511	5.2
145.10118	5.6
146.07233	2.4
147.11649	1.5
150.03558	1.2
151.07471	1.3
157.06485	20.4
158.07263	12.8
159.08060	30.0
159.11642	6.2
160.05243	2.6
161.05928	1.4
161.09656	4.6
161.13159	4.0
161.98590	1.1
163.07495	1.5
168.05646	1.2
169.06454	13.5
169.07651	1.4
170.07233	6.1
173.05971	4.3
174.06755	62.8
175.07536	12.5
186.06752	18.5
187.07576	4.3
188.08284	2.4
189.09100	95.5
191.10695	8.9
201.05392	2.0
201.09105	40.6
201.16377	2.0
206.39943	1.3
219.10144	100.0
219.17358	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
65.03953	0.3
67.05501	0.3
91.05474	4.3
95.08576	0.2
102.04615	0.3
103.05465	1.3
104.06209	0.3
105.07014	1.2
115.05451	4.9
116.06224	0.5
117.07010	3.5
119.04938	0.3
119.08572	1.1
128.06201	2.0
129.06995	7.9
129.07947	0.4
130.07793	0.5
131.04909	3.2
131.08566	10.9
132.05678	1.7
133.06396	0.3
133.10095	0.4
135.08063	0.4
137.05954	1.1
141.06992	7.8
143.04910	1.2
143.08585	0.4
144.05688	1.7
145.06480	6.6
146.07278	1.1
147.08015	3.9
148.05194	1.1
149.05968	0.6
157.06483	6.4
158.03622	1.7
158.07243	4.9
159.04463	0.5
159.06715	0.4
159.08043	10.1
159.09300	0.5
159.11760	0.4
160.05200	5.1
161.05949	1.3
161.09634	1.0
163.07500	1.6
168.05721	0.3
169.06458	5.0
169.07742	0.4
170.07265	2.1
173.05959	6.7
173.09550	0.9
174.06752	24.4
175.07535	30.8
176.04543	0.5
176.08340	0.9
177.05478	1.8
177.58519	0.2
186.03069	0.5
186.06775	5.5
187.07530	1.8
188.08282	1.4
189.09099	32.2
191.07018	1.4
191.10696	2.5
201.05449	9.2
201.09099	14.3
219.06577	4.1
219.10152	100.0
219.49159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.38489	0.6
55.05584	0.6
57.03428	0.6
59.67030	0.5
63.30087	0.7
75.67909	0.6
91.05471	4.2
103.05448	0.9
105.07078	0.8
105.95110	0.6
110.27800	0.6
115.05442	2.9
116.06195	1.2
117.06988	1.3
128.06198	3.9
129.07002	28.1
130.07793	0.9
131.04901	6.6
131.08560	34.2
132.05708	0.7
133.06476	2.8
137.05988	3.4
141.06984	27.8
143.04965	0.7
143.08548	1.0
144.05711	4.5
145.06462	3.2
146.07253	2.6
148.05214	1.0
157.06482	19.5
158.07265	12.6
159.08037	29.9
160.05180	4.9
161.05959	1.1
161.09560	3.7
163.07549	1.5
169.06458	15.8
169.07736	1.3
170.07271	8.2
173.05907	1.3
174.06754	63.0
175.07556	11.3
176.08331	0.9
186.06747	17.0
187.07516	1.6
188.08319	3.8
189.09097	100.0
190.06178	5.3
191.07050	1.4
191.10669	6.7
201.07617	0.9
201.09096	45.6
219.10147	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Bitalin A
Peak:m/z	Relative Intensity
52.43850	1.0
57.80163	1.0
64.43124	1.0
64.51926	1.1
72.64356	1.3
75.09468	1.2
91.05479	5.3
92.21518	2.4
95.56713	1.2
101.54169	1.1
115.05441	1.8
117.07025	1.8
128.06252	1.8
129.06992	22.8
131.04944	3.0
131.08572	34.0
137.05934	2.9
141.06993	20.1
143.04916	1.8
144.05702	5.5
145.06523	5.6
146.07239	2.0
157.06493	23.1
158.07253	11.6
159.08051	29.8
160.05157	6.6
161.05840	1.4
161.09592	2.9
169.06476	12.7
170.07314	6.9
173.05998	5.5
174.05229	2.0
174.06757	61.1
175.07504	13.6
186.06758	14.7
188.08336	3.0
189.09109	100.0
191.07004	2.4
191.10654	7.6
201.05511	1.3
201.09122	43.1
219.06680	2.3
219.08307	3.5
219.10147	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
77.20338	2.0
79.05481	1.9
91.05442	3.9
99.04575	2.2
115.05483	2.6
117.06969	2.7
128.06166	2.7
129.06984	20.7
131.04948	4.5
131.08551	33.6
141.07002	18.0
143.08580	2.6
145.06487	4.0
146.07161	2.3
157.06442	16.6
158.07275	4.7
159.08043	29.6
159.11575	2.5
160.05203	3.8
163.07555	2.5
169.06467	9.6
173.05980	9.7
174.06744	41.7
175.07533	22.9
186.06750	12.2
188.08344	2.8
189.09096	77.6
190.28128	2.2
191.10657	3.1
201.05452	4.2
201.09117	37.1
219.06543	4.4
219.08142	3.7
219.10130	100.0
219.12173	4.2
239.17433	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03949	2.3
57.03434	1.8
64.04015	0.8
69.88309	0.9
71.04993	1.0
73.02906	2.1
79.63441	1.0
81.03414	6.9
85.02905	12.8
91.05477	2.3
91.61156	1.0
92.21507	1.2
96.59796	1.0
99.04458	31.4
103.03924	6.8
115.05446	5.6
117.07015	1.5
126.03503	1.0
128.06169	1.7
129.06998	28.4
130.07710	1.1
131.04915	4.9
131.07668	1.6
131.08575	32.8
132.87769	0.9
137.05997	1.9
138.07129	0.9
141.07004	24.4
143.05002	1.3
143.08569	1.5
144.05673	4.3
145.06473	2.3
146.07251	3.8
149.05946	2.4
152.53047	0.9
157.06488	20.5
158.07272	12.7
159.08052	28.7
160.05191	2.0
161.05968	1.4
161.09549	2.2
163.07529	2.3
169.06445	15.0
169.27718	1.1
170.07301	7.1
171.08093	1.2
173.05977	5.5
174.05234	2.1
174.06752	63.0
175.07523	11.1
186.06775	17.8
187.07501	1.2
188.08348	1.3
189.09100	100.0
191.07010	4.8
191.10704	7.1
201.05482	2.4
201.09102	44.3
219.08299	3.6
219.10156	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.65576	1.7
65.85635	1.7
88.67229	1.8
89.12142	1.8
91.05448	2.2
99.04457	2.0
115.05437	3.0
117.06996	2.3
128.06224	3.6
129.07025	21.0
131.04938	4.2
131.07628	3.3
131.08556	37.4
141.06998	23.8
143.04962	2.9
144.05682	4.0
145.06499	4.7
157.06493	20.8
158.07263	12.0
159.08038	34.4
160.05154	3.5
161.09451	2.1
169.06441	10.9
169.07750	2.3
170.07265	3.6
173.06049	4.0
174.06757	59.1
175.07559	17.0
186.06792	10.7
187.07567	10.9
188.08301	4.5
189.09094	91.6
191.06996	4.1
191.08562	19.1
191.10645	8.3
201.09056	40.8
219.08029	60.2
219.10168	100.0
236.40558	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.10976	0.6
57.03432	0.6
61.40798	0.7
64.49764	0.7
67.05488	0.9
68.01600	0.6
69.07071	0.7
72.47330	0.7
81.07049	1.3
87.94742	0.6
91.05475	7.5
92.14340	0.7
92.21453	0.8
93.07045	1.1
95.08608	1.0
103.05458	1.7
105.07034	1.6
115.05452	5.4
116.06186	1.1
117.07001	4.4
119.12930	0.8
121.00948	0.7
121.06499	0.7
128.06232	4.0
129.07005	25.4
130.04167	1.0
130.07768	1.5
131.04912	5.6
131.08566	37.8
133.10117	4.2
137.05963	3.5
141.06992	24.8
143.04907	1.8
143.08545	1.7
144.05666	6.9
145.06493	10.3
145.10101	1.0
146.07239	1.6
147.08029	0.8
148.05208	0.9
157.06477	21.4
158.03644	1.4
158.07269	11.7
159.04378	3.2
159.08055	32.2
159.11765	1.0
160.05132	5.7
161.05978	0.8
161.09602	1.8
163.07501	3.7
169.06468	14.8
169.07719	1.5
170.07233	6.3
171.08020	1.2
172.05211	0.8
173.05960	9.0
173.13219	0.9
174.06761	60.0
175.07547	19.4
176.04686	1.2
177.05486	1.9
186.06746	14.8
187.07561	5.3
188.08293	5.0
189.09111	91.7
191.07050	5.5
191.08742	1.3
191.10620	7.9
191.14221	1.5
201.05460	6.2
201.09113	38.3
201.16460	0.8
219.06712	10.3
219.08328	4.9
219.10146	100.0
219.17494	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Toxol
Peak:m/z	Relative Intensity
64.40872	1.3
68.62009	1.3
83.88698	1.3
90.27390	1.6
91.05465	1.6
108.61053	1.7
118.27381	1.4
119.66248	1.6
125.04478	1.5
128.06180	2.0
129.07011	22.9
131.04941	2.2
131.08571	28.8
137.05952	2.4
141.06999	24.9
143.08542	2.0
145.06485	2.6
145.75887	1.7
157.06494	21.8
158.07321	11.3
159.08054	26.1
160.05089	2.7
161.09651	2.2
169.06471	13.7
170.07256	3.5
173.09612	1.8
174.06767	60.9
175.07542	13.5
176.79979	1.4
186.06779	13.8
188.08295	5.4
189.09100	100.0
190.06273	2.4
191.06995	2.4
191.10614	8.6
201.09111	38.8
219.10170	81.5
223.12967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
60.04531	100.0
65.50529	0.8
66.25034	0.6
66.72594	0.6
70.02966	0.8
73.50182	0.7
84.04511	3.2
86.09705	75.6
87.04456	0.9
87.05592	4.6
90.03774	1.1
96.80328	0.6
97.71946	0.6
98.97582	2.8
113.66684	0.7
116.98637	1.4
118.50351	0.7
119.01921	0.9
128.10725	3.0
132.10202	66.9
133.07593	1.6
135.08020	0.8
135.30675	0.7
137.05977	2.5
145.06474	3.2
146.05977	0.8
147.04381	0.9
173.01257	0.9
173.05937	1.2
173.12837	33.2
174.05540	0.7
187.77493	0.6
201.12297	2.8
219.08305	6.6
219.11259	4.0
219.13426	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	100.0
65.50529	0.8
66.25034	0.6
66.72594	0.6
70.02966	0.8
73.50182	0.7
84.04511	3.2
86.09705	75.6
87.04456	0.9
87.05592	4.6
90.03774	1.1
96.80328	0.6
97.71946	0.6
98.97582	2.8
113.66684	0.7
116.98637	1.4
118.50351	0.7
119.01921	0.9
128.10725	3.0
132.10202	66.9
133.07593	1.6
135.08020	0.8
135.30675	0.7
137.05977	2.5
145.06474	3.2
146.05977	0.8
147.04381	0.9
173.01257	0.9
173.05937	1.2
173.12837	33.2
174.05540	0.7
187.77493	0.6
201.12297	2.8
219.08305	6.6
219.11259	4.0
219.13426	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73558	5.0
58.06606	10.4
84.83645	5.2
86.06071	22.0
96.94980	6.1
98.08458	7.4
99.09219	94.2
100.07611	11.8
101.00886	7.5
111.09231	8.6
119.01933	66.5
121.01707	7.2
129.10252	22.8
129.52776	5.9
137.02960	10.9
142.92110	5.7
158.08133	47.3
159.01358	9.9
161.02942	35.8
176.09161	100.0
177.02419	25.3
183.84337	6.2
191.02315	5.9
196.04549	6.7
201.12302	21.7
219.02652	34.0
219.13371	48.9
220.04362	6.1
225.74274	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.05517	3.7
57.07083	2.8
67.05511	9.3
69.07072	36.3
76.88453	1.6
77.22984	1.8
79.05491	9.6
79.10224	1.7
81.07074	17.1
83.08616	2.9
91.04960	1.9
91.05487	34.3
91.06018	2.9
93.07037	17.0
93.83220	1.7
94.37336	1.7
95.04959	2.2
95.08619	13.8
97.06532	2.7
99.04430	1.9
105.07040	25.7
107.04992	2.5
107.08572	14.2
109.10173	3.1
111.08036	3.1
115.05424	4.4
117.07017	36.0
119.08585	47.1
119.95056	1.8
121.06504	8.2
121.10149	37.8
125.05981	4.3
128.06198	2.7
129.07021	11.0
131.04880	2.2
131.08575	83.7
133.06459	3.3
133.10139	25.2
135.08034	8.3
139.07539	2.9
141.06998	10.4
143.08563	3.3
144.09288	2.1
145.06514	14.2
145.10139	46.2
147.11673	19.7
149.06030	14.5
151.07581	2.7
157.06470	8.4
158.07231	4.3
158.10863	8.6
159.08061	28.4
159.11707	10.3
161.09596	3.7
163.07541	63.3
169.06488	3.3
173.09686	2.5
173.13264	100.0
174.06763	25.0
175.07527	6.6
175.14839	7.4
177.09090	21.6
183.11665	6.7
186.06795	4.5
186.10376	2.8
188.08278	2.5
189.09103	34.3
191.10619	2.2
191.14249	3.3
201.09117	13.1
201.12769	45.2
219.08061	6.2
219.10236	47.3
219.13786	82.0
219.17276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.7
57.07083	2.8
67.05511	9.3
69.07072	36.3
76.88453	1.6
77.22984	1.8
79.05491	9.6
79.10224	1.7
81.07074	17.1
83.08616	2.9
91.04960	1.9
91.05487	34.3
91.06018	2.9
93.07037	17.0
93.83220	1.7
94.37336	1.7
95.04959	2.2
95.08619	13.8
97.06532	2.7
99.04430	1.9
105.07040	25.7
107.04992	2.5
107.08572	14.2
109.10173	3.1
111.08036	3.1
115.05424	4.4
117.07017	36.0
119.08585	47.1
119.95056	1.8
121.06504	8.2
121.10149	37.8
125.05981	4.3
128.06198	2.7
129.07021	11.0
131.04880	2.2
131.08575	83.7
133.06459	3.3
133.10139	25.2
135.08034	8.3
139.07539	2.9
141.06998	10.4
143.08563	3.3
144.09288	2.1
145.06514	14.2
145.10139	46.2
147.11673	19.7
149.06030	14.5
151.07581	2.7
157.06470	8.4
158.07231	4.3
158.10863	8.6
159.08061	28.4
159.11707	10.3
161.09596	3.7
163.07541	63.3
169.06488	3.3
173.09686	2.5
173.13264	100.0
174.06763	25.0
175.07527	6.6
175.14839	7.4
177.09090	21.6
183.11665	6.7
186.06795	4.5
186.10376	2.8
188.08278	2.5
189.09103	34.3
191.10619	2.2
191.14249	3.3
201.09117	13.1
201.12769	45.2
219.08061	6.2
219.10236	47.3
219.13786	82.0
219.17276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1378
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
55.05496	1.3
58.85185	0.7
60.22159	0.6
70.00063	0.8
71.08672	0.6
74.12455	0.7
81.07060	1.3
91.05475	3.2
93.07025	1.4
103.05457	7.3
105.07037	3.4
115.05425	0.9
117.07008	9.9
121.06522	0.9
123.04431	5.1
129.06963	1.2
131.04932	37.4
131.08560	4.3
133.06427	1.0
133.10120	8.1
137.05963	1.8
145.06488	22.0
145.10120	1.3
149.05983	100.0
159.08052	5.5
159.11699	1.4
162.06775	1.3
163.06183	1.6
163.07527	39.6
173.13388	0.8
175.07579	6.7
177.09137	6.2
189.09175	1.5
194.47154	0.7
201.05508	1.6
201.12682	1.3
201.16386	1.1
219.10176	4.4
219.13788	45.9
219.17215	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
51.79165	1.5
54.40301	1.5
55.05523	1.9
56.33282	1.4
65.51459	1.4
67.05511	6.9
79.05492	7.4
81.07067	13.8
82.20881	1.6
85.02908	8.7
91.05480	8.0
93.07047	16.0
95.04974	1.6
95.08612	7.9
97.10186	1.7
99.04462	8.6
105.07020	9.5
107.05011	1.9
107.08617	15.4
109.06557	1.8
109.10195	2.6
111.04454	7.0
117.07022	3.3
119.08577	7.3
121.10143	100.0
123.08094	1.7
125.05998	19.3
129.06982	2.3
131.08513	5.5
133.10129	2.7
135.11687	14.3
145.10197	2.7
159.11668	3.9
161.09642	2.6
173.13271	2.3
174.06850	1.8
177.09175	2.4
177.12784	3.3
189.09132	3.2
201.12822	6.4
201.16403	2.3
219.08189	1.8
219.10214	7.8
219.13812	99.6
219.17328	41.5
219.20775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
58.85185	0.7
60.22159	0.6
70.00063	0.8
71.08672	0.6
74.12455	0.7
81.07060	1.3
91.05475	3.2
93.07025	1.4
103.05457	7.3
105.07037	3.4
115.05425	0.9
117.07008	9.9
121.06522	0.9
123.04431	5.1
129.06963	1.2
131.04932	37.4
131.08560	4.3
133.06427	1.0
133.10120	8.1
137.05963	1.8
145.06488	22.0
145.10120	1.3
149.05983	100.0
159.08052	5.5
159.11699	1.4
162.06775	1.3
163.06183	1.6
163.07527	39.6
173.13388	0.8
175.07579	6.7
177.09137	6.2
189.09175	1.5
194.47154	0.7
201.05508	1.6
201.12682	1.3
201.16386	1.1
219.10176	4.4
219.13788	45.9
219.17215	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
52.98854	0.9
55.05506	2.8
64.53933	1.2
65.32487	1.0
66.37263	1.2
67.05487	2.3
69.07066	5.4
71.04990	9.2
79.05476	8.8
80.96159	1.1
81.07053	27.3
83.04974	1.9
83.08652	1.9
91.05470	15.3
93.07048	14.4
95.08591	11.2
97.06523	5.3
105.07026	50.3
107.08605	14.7
109.06481	1.5
109.10149	9.5
117.07017	6.2
119.08601	13.7
121.06451	2.1
121.10159	10.4
123.08032	1.9
123.11674	1.7
125.09623	20.3
128.72084	1.2
129.06995	7.1
130.07625	1.3
131.08545	15.9
132.92458	1.2
133.10124	100.0
135.08124	1.3
135.11674	1.9
137.09622	2.4
141.06996	5.8
141.57896	1.1
145.06458	2.8
145.10115	15.7
145.98836	1.2
147.11697	11.7
157.06476	2.4
159.08002	7.1
159.11668	16.9
161.13254	9.4
163.11118	1.8
166.17628	1.2
168.83467	1.2
168.84924	1.2
171.11966	1.3
173.05978	6.8
173.13210	1.9
174.06761	6.9
175.07585	1.7
186.06836	1.8
189.09131	16.1
191.34045	1.4
201.05446	6.6
201.09116	6.2
201.16345	13.5
219.06642	3.7
219.10081	17.3
219.17436	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.05494	0.4
56.96557	0.5
57.52390	0.4
58.95351	0.4
67.05530	0.7
81.07042	1.1
82.72585	0.5
83.04990	0.6
91.05482	2.2
93.07047	0.6
102.66791	0.4
105.07036	2.9
112.85990	0.5
117.07041	0.6
119.08555	3.0
120.71617	0.5
121.06573	0.6
121.10151	1.9
131.08543	2.1
133.10139	2.3
141.07088	0.7
159.04448	0.7
159.08041	1.0
159.11691	0.9
161.09570	0.7
161.13229	1.0
173.13286	0.7
174.06776	0.7
175.14832	0.9
176.04640	0.6
184.59511	2.7
189.09111	1.2
189.82195	0.5
191.07008	2.1
201.09161	0.8
203.14301	24.5
219.06537	1.2
219.10307	3.7
219.13913	3.2
219.17436	100.0
225.78239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
61.11100	0.5
67.05507	0.7
71.04989	0.6
71.51494	0.5
79.05502	1.3
81.07045	2.8
87.76333	0.7
91.05465	3.7
93.07034	3.2
95.08593	1.3
105.07020	3.9
107.08624	1.2
109.06474	1.0
109.10143	0.7
117.06969	1.4
119.08546	3.4
121.06502	1.1
121.10149	3.4
129.06981	0.7
131.04907	1.3
131.08545	4.6
133.10153	1.2
135.11646	0.8
141.06941	0.9
145.10138	1.6
159.04414	0.9
159.08150	2.2
159.11681	1.2
161.09621	1.0
173.13188	0.9
174.06824	2.7
176.04576	1.4
189.09105	4.8
191.06953	1.2
191.85435	0.7
201.09103	0.7
203.14302	26.1
204.11414	0.7
219.06593	3.7
219.10110	6.1
219.13832	5.4
219.17422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
55.05516	3.0
58.21401	1.0
59.81127	1.1
59.83561	1.1
67.05506	9.7
69.07050	2.8
79.05502	10.8
81.03413	2.2
81.07071	14.3
83.08632	1.8
91.05490	16.1
93.07053	18.7
95.08585	10.5
97.10184	1.5
105.07039	6.0
107.04938	3.0
107.08617	12.2
109.10130	3.0
110.57459	1.4
117.07000	7.6
117.07816	1.0
119.08570	8.3
121.06531	2.8
121.10142	10.9
121.21045	1.4
131.08563	14.9
133.10141	5.6
135.11682	3.1
145.10129	6.2
154.50720	1.4
159.11678	3.2
161.13231	1.5
173.13235	2.0
187.94348	1.4
201.16409	2.7
202.42912	1.4
219.13979	2.5
219.17427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Bisacumol
Peak:m/z	Relative Intensity
52.18421	0.8
55.01883	1.0
55.05504	1.8
58.50270	0.7
59.61895	0.8
65.64179	0.8
67.05219	0.9
67.05511	12.6
69.07059	4.1
79.05076	1.1
79.05495	16.6
79.34067	0.9
81.07066	12.2
83.08617	3.8
84.65168	0.8
91.05486	16.4
93.07053	18.3
95.04977	1.1
95.08619	9.7
97.06500	0.9
97.10181	1.2
100.14374	0.8
102.06610	0.9
105.07040	7.0
105.07623	0.9
107.04952	5.1
107.08599	12.7
109.06505	0.9
109.10152	4.0
117.07037	6.5
119.08563	9.9
121.06470	2.0
121.10108	9.2
131.08580	14.5
133.10088	4.9
135.11711	5.8
141.10071	0.9
145.10143	5.9
149.13126	1.0
159.11725	3.5
173.13179	0.8
174.06622	0.9
189.08989	1.2
192.63541	0.7
201.16408	5.0
219.17430	100.0
220.79515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
55.05505	7.4
57.07093	2.1
63.19921	1.7
63.75352	1.4
66.86782	1.4
67.05512	20.0
69.07065	10.0
71.35928	1.5
79.05496	27.1
81.07061	35.0
83.05016	2.0
83.08627	7.2
91.05479	17.2
93.07041	41.2
95.04948	2.9
95.08610	29.1
97.06501	1.7
97.10170	2.9
105.07027	6.4
107.04945	3.9
107.08588	33.8
109.06498	1.9
109.10155	12.5
117.07024	6.9
119.08562	8.3
121.06499	1.8
121.10146	33.5
123.08080	2.1
123.11666	3.5
129.07048	1.9
131.08577	13.0
133.10123	7.8
135.11694	31.5
137.13263	3.0
145.10129	9.7
147.11745	1.9
149.13264	19.8
159.11693	3.5
160.43039	1.8
163.14807	7.7
189.09137	7.5
201.16429	2.5
219.10158	6.0
219.17451	100.0
219.20958	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05513	6.3
56.02458	1.2
67.05512	2.3
69.07071	5.5
71.05000	10.2
79.05499	11.2
81.07058	23.9
83.04980	2.7
91.05484	17.3
93.07053	18.5
95.04980	2.0
95.08605	8.0
97.06519	6.4
97.10212	2.0
100.55821	1.3
105.07034	49.3
107.08605	10.1
109.10180	6.9
117.07025	2.8
119.08561	13.5
121.06461	1.5
121.10146	10.1
123.11650	1.4
125.09628	18.2
129.06995	2.9
131.08609	11.8
133.10132	100.0
135.11748	2.1
137.09634	1.5
141.06949	2.7
145.10126	13.8
147.11688	9.4
149.09641	1.5
157.06485	1.6
159.08043	7.8
159.11673	14.1
160.07544	2.1
161.13289	8.8
163.11143	1.5
169.06506	2.2
173.13225	2.6
174.06754	8.4
175.07501	2.3
180.15446	1.3
186.06944	1.6
189.09113	18.1
192.71133	1.2
201.09128	6.9
201.16411	14.4
219.06534	2.5
219.10130	21.7
219.13742	4.5
219.17409	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16852	0.7
57.07082	1.6
59.04998	1.9
60.12941	0.7
62.42762	0.7
65.14639	0.7
67.05495	0.7
69.07060	1.9
70.02927	1.7
72.04511	5.2
76.86977	0.9
77.67954	0.9
78.90714	0.9
85.06545	6.2
86.06069	0.9
90.05558	53.9
90.06125	1.9
91.05503	1.1
95.04966	1.6
98.02429	8.2
100.03970	2.0
103.07578	4.1
113.06061	1.0
116.03456	5.9
124.07575	9.6
137.05986	16.0
142.08650	4.1
144.04486	6.1
146.05968	1.0
147.04436	7.6
152.60208	0.9
160.09776	1.0
162.05450	1.4
166.04974	0.9
174.05498	100.0
174.11311	1.8
184.09688	9.6
192.06563	22.0
193.36293	0.9
202.10756	18.4
202.46436	0.8
220.06053	69.0
220.09650	7.7
220.11818	16.8
220.51878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0603
Annotation	8-Methoxykynurenate
Peak:m/z	Relative Intensity
50.17002	0.3
53.44211	0.4
54.13586	0.3
54.13906	0.4
55.05508	0.7
57.44825	0.3
59.04986	0.4
60.04528	1.9
61.29359	0.4
65.95159	0.4
66.26017	0.4
72.04523	1.1
74.02459	0.7
81.03415	0.5
82.55144	0.4
85.06542	0.9
86.06094	0.5
86.09702	0.6
87.00795	0.5
87.04445	0.6
87.10036	0.7
90.05558	14.3
95.04963	1.0
97.21931	0.4
98.02412	2.7
99.04459	26.1
100.04031	0.5
103.07604	0.9
113.06054	0.6
116.03468	2.0
116.07085	0.9
117.05492	24.8
124.07594	2.4
128.04976	0.8
131.33566	0.4
142.08632	0.8
156.10127	0.8
174.05493	4.7
174.11354	0.9
174.13181	0.7
184.09758	3.3
185.04439	4.7
192.06549	100.0
202.10747	4.4
203.05501	4.2
220.06033	65.7
220.09619	2.6
220.11752	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0603
Annotation	8-Methoxykynurenate
Peak:m/z	Relative Intensity
56.16852	0.7
57.07082	1.6
59.04998	1.9
60.12941	0.7
62.42762	0.7
65.14639	0.7
67.05495	0.7
69.07060	1.9
70.02927	1.7
72.04511	5.2
76.86977	0.9
77.67954	0.9
78.90714	0.9
85.06545	6.2
86.06069	0.9
90.05558	53.9
90.06125	1.9
91.05503	1.1
95.04966	1.6
98.02429	8.2
100.03970	2.0
103.07578	4.1
113.06061	1.0
116.03456	5.9
124.07575	9.6
137.05986	16.0
142.08650	4.1
144.04486	6.1
146.05968	1.0
147.04436	7.6
152.60208	0.9
160.09776	1.0
162.05450	1.4
166.04974	0.9
174.05498	100.0
174.11311	1.8
184.09688	9.6
192.06563	22.0
193.36293	0.9
202.10756	18.4
202.46436	0.8
220.06053	69.0
220.09650	7.7
220.11818	16.8
220.51878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Hyacinthacine C1
Peak:m/z	Relative Intensity
54.31034	0.4
56.05040	2.1
56.44080	0.4
58.54773	0.3
60.04536	0.5
66.74157	0.4
68.05045	0.5
69.03433	2.1
70.06234	0.7
70.06595	11.6
72.08614	0.4
74.06081	0.9
80.94737	0.4
84.04495	2.4
85.02978	0.7
85.03608	0.3
85.04848	0.9
86.06071	13.8
86.06553	0.6
87.04467	18.1
88.03996	1.5
90.05544	1.0
96.04501	0.7
97.02901	2.2
98.06058	50.6
99.04473	3.1
102.05561	3.7
114.05503	1.6
116.07092	100.0
124.03954	0.6
128.07074	0.5
132.06537	1.6
134.08099	0.9
138.09233	0.5
142.04974	2.1
142.28981	0.4
143.03445	0.7
156.06583	2.6
156.10208	0.5
157.06898	0.6
160.06076	1.5
161.04529	0.5
174.05540	1.8
174.07648	4.0
174.11292	0.9
184.09697	3.6
189.82434	0.4
192.06554	1.6
202.07079	1.5
202.10724	2.0
217.73598	0.5
220.06110	2.5
220.08185	3.5
220.11783	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.94833	0.8
57.07080	5.0
59.05004	2.3
67.05490	1.0
69.07066	4.0
70.02966	2.0
72.04528	13.0
73.02936	1.4
85.06540	7.7
86.09716	1.6
86.64497	1.0
90.05559	100.0
95.04974	6.0
98.02425	16.3
100.03996	3.3
103.07574	8.5
113.06017	2.1
116.03461	17.3
124.07582	18.1
142.08640	7.4
156.10208	1.1
160.09627	1.5
166.08667	1.8
174.11325	3.8
175.96851	0.9
184.09689	21.3
184.11214	1.3
192.06416	3.1
202.10776	31.6
206.24739	1.2
220.09827	2.7
220.11743	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	2.2
59.04996	2.4
67.05476	1.1
67.25833	0.9
69.07063	4.4
70.02950	2.0
72.04526	11.8
73.02939	2.3
74.02506	1.3
85.06541	12.4
87.08117	2.4
90.05556	100.0
95.04965	7.6
98.02429	12.0
100.03979	1.7
103.07578	9.6
113.06014	2.0
116.03460	14.0
124.07579	19.8
142.08681	9.7
147.04475	1.2
156.10300	1.2
160.09683	1.3
166.08603	1.3
174.05498	37.5
174.11343	1.7
184.09656	19.5
192.06590	8.1
202.10732	34.0
219.98891	1.0
220.06117	23.5
220.09726	2.8
220.11647	35.1
220.13341	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38041	1.5
57.07077	5.5
57.30495	1.2
59.05012	1.7
60.40408	1.1
64.74730	1.1
69.03429	2.3
69.07059	3.2
70.02956	3.2
72.04523	11.5
73.02918	1.7
85.06547	8.8
86.06070	14.6
86.09722	1.5
87.08157	1.7
90.05559	100.0
95.04970	5.3
96.08025	1.4
98.02412	17.5
100.03961	2.0
103.07598	11.0
110.02416	6.4
113.06038	1.5
116.03478	14.1
124.07594	22.4
137.05986	10.3
138.05502	17.7
142.08644	7.9
160.09599	1.8
166.04979	35.7
166.08669	1.3
174.05492	6.1
184.06059	5.7
184.09715	22.5
192.06522	3.0
200.03378	2.5
202.10728	28.3
220.06102	7.9
220.09767	4.8
220.11765	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38041	1.5
57.07077	5.5
57.30495	1.2
59.05012	1.7
60.40408	1.1
64.74730	1.1
69.03429	2.3
69.07059	3.2
70.02956	3.2
72.04523	11.5
73.02918	1.7
85.06547	8.8
86.06070	14.6
86.09722	1.5
87.08157	1.7
90.05559	100.0
95.04970	5.3
96.08025	1.4
98.02412	17.5
100.03961	2.0
103.07598	11.0
110.02416	6.4
113.06038	1.5
116.03478	14.1
124.07594	22.4
137.05986	10.3
138.05502	17.7
142.08644	7.9
160.09599	1.8
166.04979	35.7
166.08669	1.3
174.05492	6.1
184.06059	5.7
184.09715	22.5
192.06522	3.0
200.03378	2.5
202.10728	28.3
220.06102	7.9
220.09767	4.8
220.11765	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74828	0.3
72.10599	0.3
87.04493	0.4
89.38432	0.3
90.21641	0.3
105.07072	2.7
105.07640	0.3
116.68732	0.3
116.69698	0.3
134.09663	4.5
137.05972	0.5
150.09131	0.7
160.07648	0.7
164.07121	0.3
174.09763	0.4
176.07018	0.5
177.07870	2.4
178.04956	4.8
178.08614	2.5
192.08965	0.6
206.04448	0.6
220.06035	1.8
220.13322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.8
69.03429	1.2
70.06594	11.6
70.57039	1.0
79.05490	8.8
81.03425	0.9
81.07059	57.3
82.06602	1.2
86.06073	7.4
90.05556	1.4
98.06063	1.3
103.62866	1.0
105.07014	1.4
107.08570	1.8
109.06515	38.2
110.06010	2.3
111.39945	1.0
135.08073	8.9
138.05507	100.0
149.06078	1.2
150.09167	1.7
174.05444	2.1
176.35818	1.1
177.59395	1.1
182.13141	1.1
191.01312	1.2
192.06540	1.3
213.29520	1.0
220.06001	2.6
220.09749	2.6
220.13336	15.4
220.20567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Ritalinic acid
Peak:m/z	Relative Intensity
56.74828	0.3
72.10599	0.3
87.04493	0.4
89.38432	0.3
90.21641	0.3
105.07072	2.7
105.07640	0.3
116.68732	0.3
116.69698	0.3
134.09663	4.5
137.05972	0.5
150.09131	0.7
160.07648	0.7
164.07121	0.3
174.09763	0.4
176.07018	0.5
177.07870	2.4
178.04956	4.8
178.08614	2.5
192.08965	0.6
206.04448	0.6
220.06035	1.8
220.13322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.133
Annotation	Ritalinic acid
Peak:m/z	Relative Intensity
52.66606	0.5
62.97834	0.6
86.09679	0.6
87.04459	1.4
110.07217	0.8
110.78194	0.6
136.06195	5.4
137.06010	8.9
152.27063	0.7
166.05049	0.8
166.25040	0.8
176.10677	3.8
190.08617	0.9
202.08458	2.8
202.09872	3.5
204.10207	11.4
205.10976	11.2
220.05157	8.0
220.09712	6.7
220.13319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.63683	0.4
54.71140	0.3
59.83271	0.4
66.34899	0.4
74.70810	0.4
81.32887	0.4
118.06544	2.0
130.07336	0.4
132.08032	0.5
134.10497	0.4
141.76425	0.4
142.07294	0.4
146.09657	0.5
162.09123	0.8
175.07100	0.8
176.10722	0.9
176.14330	18.8
190.09425	1.8
190.12247	0.9
194.29388	0.4
202.09418	0.7
220.10483	2.3
220.16949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	Polygonolide
Peak:m/z	Relative Intensity
51.68498	0.4
55.01881	0.9
55.05520	0.6
55.99593	0.5
60.51595	0.5
60.84510	0.5
65.66177	0.5
65.71860	0.5
67.05521	0.7
68.15955	0.5
68.25761	0.5
79.05481	3.7
81.07049	1.2
89.06628	0.5
91.05480	2.4
93.07042	6.8
95.04966	1.0
95.08533	0.7
103.05460	0.7
105.07037	4.3
107.04955	0.8
107.08590	2.8
109.06516	0.6
111.60032	0.6
119.08524	2.6
121.06507	2.3
123.08080	0.6
132.05711	1.4
133.06488	3.1
133.10144	0.9
135.04436	2.9
135.08034	0.9
136.05206	14.2
147.04373	2.5
147.08073	0.6
147.11682	0.8
149.05962	9.8
150.06747	15.1
151.07542	6.3
160.05185	7.5
161.05937	0.8
161.13271	1.2
162.06746	19.5
163.03905	1.3
163.07588	0.8
165.09106	8.8
175.07512	7.4
177.05487	2.4
178.06252	9.9
185.13249	0.9
188.04803	0.8
193.08601	100.0
194.73430	0.6
203.01413	0.6
206.05719	13.4
221.08075	72.2
221.15262	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	(S)-beta-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.33283	0.7
80.58161	0.7
90.05563	4.6
103.05459	1.2
106.06557	7.2
110.54601	0.9
116.01590	1.0
120.08102	1.1
121.06504	1.1
130.06509	1.3
131.04872	1.3
134.06009	6.3
139.05824	1.1
144.57080	0.9
147.04416	3.7
148.07573	6.8
149.06013	4.1
158.06004	3.6
161.06000	1.8
162.05515	1.0
175.06003	6.2
175.08673	29.4
176.07076	20.9
177.07912	1.2
178.08615	6.3
193.06854	1.1
203.08264	13.3
203.11090	1.5
204.06557	100.0
221.06503	5.1
221.09218	64.8
221.12245	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05526	1.0
67.09073	0.6
73.92751	0.6
74.02429	0.8
82.02993	1.2
94.06602	3.5
99.04482	2.9
102.16952	0.7
117.05482	9.5
130.06531	44.9
132.04446	26.5
132.05342	1.2
135.06770	0.7
148.07596	3.3
157.03540	1.3
157.07607	44.2
158.06009	77.4
162.97328	1.1
164.02551	0.7
175.08661	100.0
176.07094	3.5
180.10066	0.9
186.05513	3.8
203.08162	22.1
204.06609	4.7
221.06895	1.8
221.09177	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46458	0.4
60.65924	0.5
64.54764	0.4
74.29979	0.5
99.04469	0.6
113.09383	0.6
121.06496	2.8
123.05554	1.1
124.03916	0.7
132.08022	0.6
134.06042	0.8
159.05617	1.0
175.05017	0.9
176.05814	15.6
177.06586	26.4
177.09126	2.6
178.08673	0.7
193.06683	0.5
210.63158	0.5
221.09213	100.0
221.12791	3.7
226.59471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Jasminine
Peak:m/z	Relative Intensity
56.46458	0.4
60.65924	0.5
64.54764	0.4
74.29979	0.5
99.04469	0.6
113.09383	0.6
121.06496	2.8
123.05554	1.1
124.03916	0.7
132.08022	0.6
134.06042	0.8
159.05617	1.0
175.05017	0.9
176.05814	15.6
177.06586	26.4
177.09126	2.6
178.08673	0.7
193.06683	0.5
210.63158	0.5
221.09213	100.0
221.12791	3.7
226.59471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99538	0.2
55.88758	0.2
59.91495	0.2
78.50052	0.2
81.07050	0.4
91.05463	0.4
93.15913	0.2
105.07036	0.5
107.08622	0.4
109.10123	0.3
115.05449	0.3
117.07005	1.4
121.74207	0.2
129.07002	0.3
133.01015	0.2
133.06482	0.5
135.11719	1.4
143.08551	1.2
145.06450	0.4
147.08096	0.3
150.31163	0.2
151.90854	0.2
158.85396	0.2
161.05949	1.5
161.09645	0.4
162.06757	2.1
169.53555	0.2
171.08052	1.3
175.07527	2.9
177.09109	100.0
189.49452	0.2
193.06441	0.3
203.10657	0.5
203.18039	0.4
221.06061	0.6
221.08070	1.1
221.11679	1.0
221.15433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Sohirnone A
Peak:m/z	Relative Intensity
53.03956	1.2
53.80899	1.1
55.01866	1.1
55.05512	3.3
57.03433	1.5
67.05501	10.7
67.71833	1.4
72.53751	1.4
79.05479	9.3
81.03410	21.0
81.07059	18.5
83.08605	3.3
85.02866	1.6
91.05486	15.9
93.07053	13.9
95.04970	17.8
95.08595	9.0
99.00839	2.7
105.07044	20.0
107.04934	2.7
107.08630	10.4
109.02876	100.0
109.06499	6.6
109.10137	3.2
111.04483	2.3
111.80956	1.4
115.89992	1.3
117.07008	3.1
119.04960	2.3
119.08585	26.3
121.06483	2.3
121.10141	6.5
123.04417	28.8
123.08083	6.5
129.07014	14.4
131.08534	8.3
133.06528	10.0
133.10156	7.7
135.08020	1.8
137.05954	3.5
142.07768	2.2
147.08026	8.5
147.11674	18.9
151.03888	38.7
157.10118	27.0
161.05946	1.6
161.13271	2.6
165.05508	2.3
165.12764	10.5
175.07498	1.6
175.11154	16.5
193.12231	26.6
203.10658	6.4
221.08070	5.3
221.11699	44.2
221.15131	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01865	0.8
55.05502	4.0
60.60735	0.6
65.03955	0.7
67.05505	21.1
69.07063	5.2
71.04987	1.0
79.05491	12.7
81.03403	5.2
81.07058	14.8
83.04938	0.6
83.08611	1.4
85.06521	0.8
91.05479	8.8
93.06485	0.9
93.07040	23.4
94.04195	0.7
95.04964	27.0
95.08595	7.9
97.06524	1.0
97.10168	1.4
105.07030	10.3
107.04953	7.1
107.07950	0.7
107.08600	14.3
109.02830	1.4
109.06488	6.4
109.10182	2.5
111.08077	1.0
117.06984	3.8
119.08583	10.4
119.10402	0.7
121.06501	1.2
121.10120	2.6
123.08044	1.4
125.09618	0.9
129.78510	0.6
131.08562	1.3
133.06454	1.0
133.10117	5.0
143.08549	3.0
145.10150	1.1
147.08052	1.1
147.11705	0.7
157.10092	1.6
159.11716	1.1
161.09615	1.6
161.13257	7.4
163.11137	1.0
168.91176	0.6
175.11165	1.0
175.14812	3.1
179.53255	0.6
185.13254	3.5
203.14267	3.3
221.15341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.27438	1.8
53.03960	2.5
55.05512	9.5
56.00457	1.8
63.57484	1.7
67.05501	12.9
68.05813	1.8
69.07079	17.4
71.04980	4.6
79.05497	55.5
81.07062	27.2
83.08620	1.8
85.06561	3.5
91.05476	33.8
93.07046	97.1
93.07647	4.0
95.04974	10.7
95.08614	18.0
97.06527	3.0
105.04510	2.8
105.07033	25.4
105.21457	1.7
107.08595	100.0
109.06522	9.4
117.07037	4.3
119.06094	2.1
119.08573	63.4
121.06490	2.0
121.10131	36.0
127.07607	1.9
129.07002	2.8
131.08571	10.2
133.10144	14.5
135.11703	3.1
143.08571	6.8
147.08054	2.8
147.11699	4.1
151.52214	2.1
157.10069	4.0
159.11696	13.3
161.09564	3.3
161.13243	49.1
175.11214	4.4
175.14786	4.7
177.09033	17.7
185.13248	17.4
203.14294	12.1
211.63290	2.0
221.15343	49.9
231.97966	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Madolin F
Peak:m/z	Relative Intensity
55.05519	9.1
56.04562	3.6
61.73363	3.2
64.72026	3.5
67.05500	28.7
69.02615	3.7
69.07079	18.9
71.04982	16.4
79.05495	43.4
81.07056	39.1
83.04973	4.3
83.08610	7.6
91.05466	37.6
93.07043	80.9
95.04972	87.8
95.08619	33.5
97.06525	25.5
103.51772	3.9
105.07053	41.4
107.04967	23.8
107.08607	50.1
109.06516	8.1
109.10184	8.9
111.04462	9.2
117.07015	8.3
119.08567	28.8
121.10139	16.0
123.08120	7.2
129.06995	7.7
133.06464	9.8
133.10127	21.5
143.08621	7.3
145.10130	8.2
159.11731	5.9
161.13245	26.0
161.39798	4.0
163.11169	9.8
175.14796	4.0
179.14334	27.7
185.13258	22.6
203.14409	8.4
221.15381	100.0
221.18941	7.3
222.90840	4.2
241.72394	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.56146	1.3
55.05504	2.0
67.05516	2.1
69.07059	6.6
70.02776	1.2
73.48744	1.2
79.05497	2.7
81.07042	8.7
83.08620	2.0
85.02897	2.8
85.75237	1.3
90.04044	1.4
91.05450	1.7
93.07032	8.6
95.04931	1.6
95.08598	6.4
98.68759	1.5
105.07095	4.4
107.08591	3.0
109.10133	3.2
116.00218	1.9
119.08543	9.1
121.10119	7.2
123.08059	2.4
133.10139	15.6
135.11682	2.8
145.10146	2.3
147.11665	2.4
151.07552	17.5
161.13239	42.7
163.11174	2.4
175.14775	3.3
179.14272	2.3
193.15894	1.5
203.14241	2.2
221.09378	2.2
221.13510	3.7
221.15337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Madolin F
Peak:m/z	Relative Intensity
55.01870	4.0
55.05511	11.6
65.03928	3.2
67.05508	49.4
69.07070	21.3
71.04977	19.5
79.05492	50.8
81.07056	77.3
81.07493	4.2
83.04977	6.1
83.08630	3.6
85.02903	4.7
85.06536	6.9
85.51565	2.7
91.05467	42.0
93.07041	80.0
95.04964	95.4
95.08606	71.8
97.06503	25.6
97.10168	4.4
105.07026	40.8
107.04939	30.7
107.08597	58.8
109.06541	19.9
109.10143	27.5
111.04425	13.5
111.08128	3.3
116.66507	2.6
117.07030	12.4
119.08548	30.5
121.06512	5.9
121.10132	17.9
123.08061	5.9
123.11712	4.5
129.07011	6.1
131.08562	11.6
133.06503	17.5
133.10155	15.1
135.08037	3.6
135.11690	12.4
137.09642	4.0
143.08582	16.4
145.10135	10.9
157.10091	3.2
159.11687	6.2
159.97713	2.8
161.09634	3.3
161.13235	34.3
163.11203	22.7
168.61436	16.8
175.11148	3.4
175.14816	5.0
177.61945	53.9
179.14246	34.8
185.13222	13.7
185.93637	2.6
186.62570	3.6
203.14310	17.8
221.15364	100.0
221.18990	11.8
232.41156	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.47839	1.6
54.29210	1.7
54.60273	1.6
55.05511	4.8
67.05510	4.0
69.07051	11.2
71.04992	16.2
79.05494	17.2
79.23139	2.2
81.07059	62.3
83.08601	2.0
85.61610	2.0
91.05472	5.2
92.21017	2.6
93.07038	35.3
95.04948	2.6
95.08604	19.9
97.45786	1.9
99.08104	2.2
105.07015	22.4
107.08596	49.2
109.10165	17.9
109.34650	1.9
110.88741	2.2
117.07011	3.8
119.08580	47.0
119.09409	2.6
121.06390	2.4
121.10135	12.9
123.08076	2.0
123.11714	12.9
127.11154	2.8
133.10135	17.7
135.11696	92.8
137.05978	2.4
137.09659	3.1
139.11148	2.1
143.08591	3.7
147.11694	20.5
149.13278	2.8
151.03873	2.9
151.11206	4.2
161.06006	3.4
161.13237	13.5
163.14885	2.7
175.07504	3.5
177.09099	100.0
203.17964	21.3
206.05692	2.4
221.05937	3.6
221.09666	3.2
221.11702	7.5
221.15341	7.9
221.18983	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
55.05521	2.4
57.07075	1.9
60.89557	1.3
61.87097	1.2
67.05503	2.3
69.07056	3.3
71.04991	8.5
74.25843	1.3
79.05489	8.3
81.07059	47.1
89.88979	1.3
90.92758	1.6
91.05490	2.6
93.07046	22.7
95.08601	13.6
96.56062	1.5
105.07029	16.2
107.08596	45.9
109.10167	13.4
115.54520	1.7
119.08581	25.1
121.10142	3.1
123.11709	13.7
127.11242	5.8
133.06543	2.4
133.10144	18.8
135.11697	100.0
137.13258	2.4
147.11693	13.7
149.13211	1.9
151.11182	2.7
161.05969	2.5
161.13239	9.3
169.05286	1.5
175.07542	2.6
177.09111	6.8
193.08693	2.8
203.17955	22.8
221.18988	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	4.3
59.29227	1.2
67.05514	2.6
69.07073	6.1
69.83033	1.1
71.04996	11.6
79.05492	6.8
81.07062	37.5
83.08619	1.9
91.05486	5.0
93.07033	20.3
95.08607	16.3
99.08060	1.4
105.07027	11.0
107.08589	36.1
109.10173	8.9
111.08073	1.5
119.08592	20.1
121.10143	6.6
123.04507	1.3
123.11726	12.4
127.11208	6.6
133.06506	1.7
133.10153	13.9
135.11696	100.0
137.09637	2.3
137.13333	1.2
142.34132	1.2
147.11679	16.4
149.13335	1.5
151.11177	2.6
161.06013	4.8
161.13269	9.5
165.05412	1.4
170.39265	1.1
175.07590	1.9
175.14941	1.2
177.16389	1.4
193.08598	5.0
198.90204	1.4
203.17946	21.9
221.06128	1.3
221.07974	4.0
221.15491	2.1
221.18997	30.2
224.45433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.95758	0.3
55.05518	0.6
57.07066	0.3
67.05498	0.6
69.07054	0.8
70.51455	0.3
71.04984	2.2
79.05489	2.0
79.59477	0.3
81.07065	9.3
83.08670	0.3
91.05464	1.9
93.07045	5.7
93.64186	0.4
95.04955	0.6
95.08611	3.7
105.07030	4.7
107.08592	6.9
109.10165	2.7
115.05498	0.6
116.06212	0.3
117.07010	2.0
119.08583	6.3
121.10133	0.7
123.08096	0.5
123.11644	2.4
127.11190	0.5
129.37703	0.3
133.06497	0.6
133.10127	3.3
135.08070	0.5
135.11702	13.4
137.09639	0.7
143.08559	1.4
147.08017	0.3
147.11664	3.4
149.13286	0.7
151.07654	0.3
153.29085	0.3
161.05960	0.8
161.13223	1.8
162.06737	1.4
165.09044	0.3
171.07996	0.7
175.07550	2.7
177.09100	100.0
193.08612	2.5
203.10632	0.4
203.17929	4.6
221.07967	0.5
221.11703	1.7
221.15529	0.4
221.18964	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
53.03978	1.1
55.05512	2.5
56.49646	1.2
57.07069	1.3
67.05511	3.4
67.42094	1.2
69.02771	1.1
69.07070	1.8
71.04989	7.8
72.14420	1.2
79.05490	7.4
81.07064	37.3
83.08619	5.0
91.05452	2.8
92.20921	1.8
93.07050	21.2
95.08616	13.9
97.02908	3.0
99.08091	2.1
105.07027	13.4
106.07360	6.8
107.08588	41.5
109.06522	1.7
109.10180	11.2
109.10823	1.3
119.08573	25.6
121.10111	6.7
123.11687	12.3
133.10126	17.9
135.11694	100.0
137.06010	1.9
137.09540	1.4
147.11696	13.0
148.08279	2.4
149.13266	5.8
154.68422	1.3
157.08765	1.5
161.06027	5.1
161.13271	8.5
165.05432	1.5
177.59734	1.6
203.17926	27.2
218.34885	1.4
221.18964	27.1
221.20953	1.6
224.90662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07751	2.3
61.78968	2.4
71.97526	2.5
118.27927	2.5
138.96431	4.5
156.97478	100.0
174.98521	84.3
198.98488	33.0
199.00150	4.2
216.99576	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03959	0.3
56.71915	0.2
66.68298	0.2
68.50752	0.2
80.04093	0.2
80.31808	0.2
84.04535	0.3
96.63992	0.2
97.67231	0.2
98.97590	1.4
108.04484	19.4
109.05264	19.7
115.03932	12.7
116.98625	0.3
121.06513	1.5
121.15462	0.2
121.23982	0.2
122.06049	0.4
122.06819	0.4
126.05518	3.8
134.99594	0.3
135.06769	0.3
136.07562	2.5
136.69331	0.2
138.05452	0.4
146.05991	0.3
148.03873	0.9
148.07541	1.0
162.05489	0.3
163.03947	0.5
163.06291	2.5
164.07062	21.6
166.08636	0.4
176.06998	2.2
178.08656	0.5
193.25554	0.2
194.04457	1.5
194.08090	1.1
204.06534	1.4
222.07608	100.0
222.14865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
51.12158	0.6
55.18164	0.6
57.07051	0.8
80.04993	1.1
81.03413	0.8
83.22090	0.7
87.04472	18.8
92.05041	0.8
95.13683	0.8
98.97577	1.5
102.70358	0.7
103.90247	0.7
108.04479	14.4
110.24323	0.7
117.05481	1.0
117.32143	0.8
131.04918	1.2
132.08099	0.9
136.03989	5.9
136.04951	0.9
136.06178	4.2
136.07526	2.7
138.28424	0.8
148.07625	2.6
150.09166	1.4
156.97403	1.4
158.07983	0.8
159.06410	1.3
160.07555	4.6
163.07542	1.3
166.06110	9.0
175.06171	0.9
176.07066	100.0
176.08762	3.2
177.06461	0.8
178.04910	1.4
179.08179	1.2
180.06473	3.0
190.06104	1.7
194.08139	22.1
199.04517	1.4
204.06415	6.8
209.66521	0.9
222.07590	72.4
222.09184	3.0
222.11230	6.3
222.12541	3.9
222.15961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
56.05828	0.5
59.70492	0.5
60.03676	0.5
60.04513	0.8
61.30862	0.5
64.64021	0.5
69.03431	7.5
76.32433	0.6
87.04469	4.0
98.97582	17.4
99.04451	0.6
108.04473	2.7
112.25857	0.6
116.98623	13.7
117.05479	1.1
118.05825	3.6
120.08086	1.4
121.06544	1.1
130.06586	1.1
134.99677	5.6
136.03951	4.1
140.00172	0.9
140.03471	2.6
148.07600	10.5
158.01277	3.3
158.04570	1.2
160.07655	1.0
161.08324	0.9
162.05473	1.2
163.03880	2.3
176.07036	4.8
178.08630	3.0
186.05504	3.8
194.08101	6.2
204.06560	100.0
207.08954	1.1
222.07645	26.6
222.09528	4.4
222.11284	8.6
222.14700	0.7
228.34969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	bk-MDEA
Peak:m/z	Relative Intensity
56.93954	0.1
57.03434	0.3
58.06612	2.3
61.41199	0.2
83.65279	0.2
91.05450	0.9
98.97564	1.2
116.98600	0.3
119.04898	0.7
121.06451	1.1
121.50825	0.1
130.24748	0.2
130.91553	0.2
131.30289	0.2
134.05975	0.7
135.04376	0.4
136.06207	0.2
137.05986	8.9
144.08093	0.4
149.05946	0.3
151.03897	0.2
151.07497	0.2
157.66998	0.2
158.09616	0.5
159.08017	0.8
161.05942	0.3
162.05490	3.6
163.03920	0.3
164.07034	0.8
174.60161	0.2
175.07516	1.1
177.05487	0.5
177.09084	1.1
178.08670	0.2
179.07080	0.4
186.09154	0.4
193.07144	0.4
193.08786	1.6
194.11768	0.4
204.10201	54.6
222.11253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	4-(3-Indolyl)butane-1,2,3-triol
Peak:m/z	Relative Intensity
64.07710	0.5
65.17686	0.4
70.85986	0.4
82.55300	0.4
83.75329	0.4
85.02881	0.5
87.04464	0.4
89.03907	0.5
91.05476	1.0
98.97585	5.2
99.94411	0.5
106.06547	0.6
112.68353	0.5
116.04964	2.1
116.98625	3.0
120.08123	0.6
121.06504	12.4
130.06522	7.6
132.04442	1.1
134.06027	4.6
134.99658	0.8
135.04466	3.5
136.07610	0.6
137.05984	9.4
142.85727	0.5
148.07529	3.6
158.06039	3.2
161.05957	0.5
162.05495	48.3
163.03952	4.4
175.07533	0.5
176.07040	10.5
176.10725	0.9
177.09076	0.7
180.06496	1.8
193.08617	1.8
204.06699	4.1
204.10199	51.6
205.12364	0.5
222.07739	40.6
222.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07710	0.5
65.17686	0.4
70.85986	0.4
82.55300	0.4
83.75329	0.4
85.02881	0.5
87.04464	0.4
89.03907	0.5
91.05476	1.0
98.97585	5.2
99.94411	0.5
106.06547	0.6
112.68353	0.5
116.04964	2.1
116.98625	3.0
120.08123	0.6
121.06504	12.4
130.06522	7.6
132.04442	1.1
134.06027	4.6
134.99658	0.8
135.04466	3.5
136.07610	0.6
137.05984	9.4
142.85727	0.5
148.07529	3.6
158.06039	3.2
161.05957	0.5
162.05495	48.3
163.03952	4.4
175.07533	0.5
176.07040	10.5
176.10725	0.9
177.09076	0.7
180.06496	1.8
193.08617	1.8
204.06699	4.1
204.10199	51.6
205.12364	0.5
222.07739	40.6
222.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	exalamide
Peak:m/z	Relative Intensity
57.07074	0.5
59.70140	0.3
83.90429	0.4
84.24755	0.4
88.10097	0.4
92.21465	0.5
98.97579	1.0
103.05479	2.6
110.89113	0.5
116.98607	0.7
117.07024	3.4
121.06513	1.0
123.04407	3.2
131.04919	16.8
133.52415	0.5
137.05956	4.5
145.06490	14.0
149.05983	100.0
153.55583	0.4
159.08043	0.8
159.11685	0.9
162.06799	0.7
163.07532	28.6
187.11211	4.0
205.12241	60.8
222.11273	3.6
222.14890	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	exalamide
Peak:m/z	Relative Intensity
57.07075	2.1
69.07076	1.1
81.07077	0.6
103.05479	3.0
117.07052	2.1
121.06522	1.8
123.04424	2.5
129.13083	0.6
131.04939	16.4
132.05740	0.6
137.05945	3.9
145.06483	10.3
149.05983	100.0
159.08020	0.5
159.11737	0.5
161.06026	0.7
162.06810	2.2
163.07547	18.0
166.08646	2.7
187.11169	2.7
204.06639	0.5
205.12244	48.5
222.14885	40.4
242.42677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30439	0.2
55.09873	0.3
55.16422	0.2
56.63359	0.2
57.07090	2.1
64.42494	0.2
69.07072	1.1
71.33408	0.3
71.87439	0.3
75.99741	0.2
82.14896	0.2
86.09694	0.3
96.78905	0.3
98.97601	0.5
103.05462	2.8
116.98620	0.5
117.07006	2.1
120.08074	0.3
121.06507	1.8
123.04399	1.8
130.06494	0.7
131.04930	17.3
131.92311	0.3
137.05998	4.2
145.05467	0.5
145.06493	9.0
149.05980	100.0
159.08052	0.7
159.11674	0.6
161.05972	0.4
162.06750	1.6
163.07533	20.0
166.08632	2.6
176.07071	1.1
176.08376	1.0
187.11140	2.5
205.12234	53.0
222.14880	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1484
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
50.99886	0.3
52.71309	0.2
60.36969	0.2
71.33692	0.3
77.75565	0.2
82.06589	0.6
87.04467	54.9
93.05769	2.0
94.06569	0.4
98.97568	1.5
116.98592	0.5
117.06979	0.3
131.04916	1.6
134.15231	0.3
136.11214	100.0
136.52948	0.3
145.06477	1.2
149.05974	10.2
163.07504	3.7
165.06958	6.1
166.07784	4.9
180.05676	0.5
187.11200	0.5
190.08583	0.5
193.06487	7.1
194.07269	15.6
205.12251	5.9
207.08670	0.6
221.05936	10.8
222.06737	87.3
222.11232	6.6
222.14868	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1486
Annotation	exalamide
Peak:m/z	Relative Intensity
53.39627	0.2
56.38835	0.2
57.07084	0.4
68.05112	0.2
86.09719	0.3
93.07041	0.3
98.97579	5.5
103.05456	3.5
107.04993	0.3
116.98599	2.4
117.07001	3.4
117.43739	0.3
121.06500	3.1
123.04443	3.1
131.04918	17.5
131.08556	0.4
133.06493	0.3
134.99619	0.4
137.05960	5.2
145.06483	12.6
147.04463	0.4
147.67300	0.3
149.05972	100.0
158.01230	0.4
158.07219	0.3
159.08061	1.1
159.11661	1.2
159.31886	0.3
159.33749	0.3
161.05862	0.3
162.06763	1.0
162.09070	0.4
163.07524	29.2
177.04169	0.5
187.11183	4.1
190.08585	1.5
192.06523	0.5
194.04520	0.3
204.10278	0.5
205.12228	60.0
207.08821	0.6
219.97232	0.3
222.07607	1.3
222.11459	9.5
222.14862	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	exalamide
Peak:m/z	Relative Intensity
62.40462	0.5
64.95892	0.5
74.89869	0.6
76.33583	0.6
86.09709	0.9
87.04478	2.9
89.74174	0.7
98.97622	0.7
103.05469	3.2
112.36449	0.6
115.38264	0.6
117.07014	4.5
123.04427	3.1
131.04941	15.9
136.11235	4.8
137.05991	4.7
145.06488	14.3
149.05981	100.0
163.07544	31.0
165.06947	1.0
166.07761	1.0
167.12677	0.6
187.11186	4.3
190.08623	1.4
192.06630	0.7
194.07280	3.5
205.12239	64.3
207.08768	1.1
221.05978	1.5
222.06737	21.4
222.11494	9.4
222.14888	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	exalamide
Peak:m/z	Relative Intensity
57.07077	1.8
58.24775	0.4
63.71537	0.4
69.07058	0.6
77.03957	0.4
82.54733	0.4
85.02898	1.8
91.05460	0.6
93.07054	1.6
95.04951	0.5
98.97599	0.5
103.05495	3.7
103.41208	0.4
117.07022	2.1
121.06506	61.8
123.04426	1.9
130.06441	0.6
131.04918	17.6
137.05956	4.0
138.09125	2.8
145.06476	9.7
149.05981	100.0
150.30785	0.4
159.08046	1.0
159.11717	0.6
162.06786	1.7
163.07526	20.8
166.08632	2.8
176.06960	0.9
176.08351	0.7
187.11156	2.6
194.04453	0.9
204.10222	8.5
205.12238	50.0
222.11249	4.2
222.14876	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
57.07089	2.6
57.07309	0.3
69.07053	1.3
72.09995	0.3
75.45784	0.3
87.04490	0.4
98.97581	12.0
103.05455	3.9
105.01105	0.3
105.46017	0.4
110.07207	0.3
115.05493	0.4
116.98615	8.8
117.07009	2.2
121.06522	2.1
123.04408	1.6
123.70164	0.4
131.04918	16.6
134.99654	3.0
137.05989	5.1
140.00171	0.6
145.06468	9.7
149.05974	100.0
158.01218	1.3
159.11673	0.5
161.05833	0.5
162.06717	1.9
163.07535	21.4
163.11139	0.5
166.08655	2.9
176.08258	0.6
178.09438	2.3
187.11156	1.8
205.12231	53.8
222.07616	0.6
222.11327	1.8
222.14873	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	EXALAMIDE
Peak:m/z	Relative Intensity
53.45782	0.5
58.06607	61.1
85.23226	0.6
86.09709	0.7
97.70309	0.7
111.28728	0.6
115.67490	0.6
123.64090	0.5
145.06479	3.5
174.09929	0.6
176.07050	1.0
177.09093	3.4
179.10681	10.7
199.42467	0.6
222.14885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46909	0.3
56.96576	5.4
58.00358	0.3
58.28688	0.3
58.51843	0.3
64.69205	0.3
65.22925	0.3
74.34018	0.4
79.05466	0.4
89.53107	0.4
91.05463	0.5
98.97582	100.0
102.78883	0.4
116.98618	87.5
119.08569	2.3
121.06473	0.4
133.10120	0.5
134.99655	53.3
135.08058	2.2
137.09618	4.3
140.00180	8.9
147.09126	0.5
149.13263	1.9
153.00705	7.5
158.01247	24.8
161.09601	1.0
163.96790	0.4
176.02251	3.4
177.12729	92.1
181.02711	0.7
222.11252	2.9
222.14729	1.6
222.18497	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46909	0.3
56.96576	5.4
58.00358	0.3
58.28688	0.3
58.51843	0.3
64.69205	0.3
65.22925	0.3
74.34018	0.4
79.05466	0.4
89.53107	0.4
91.05463	0.5
98.97582	100.0
102.78883	0.4
116.98618	87.5
119.08569	2.3
121.06473	0.4
133.10120	0.5
134.99655	53.3
135.08058	2.2
137.09618	4.3
140.00180	8.9
147.09126	0.5
149.13263	1.9
153.00705	7.5
158.01247	24.8
161.09601	1.0
163.96790	0.4
176.02251	3.4
177.12729	92.1
181.02711	0.7
222.11252	2.9
222.14729	1.6
222.18497	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.03943	0.4
67.05497	2.7
69.03439	0.5
69.07047	1.1
72.09301	0.4
73.60058	0.4
74.50893	0.4
79.05487	2.4
81.03419	5.0
81.07069	4.2
83.05001	0.9
83.08611	1.8
91.05484	2.6
91.79475	0.5
93.07040	2.7
95.04971	6.7
95.08609	4.7
97.02911	0.5
97.06549	0.6
98.97583	5.7
99.97897	2.0
105.06996	1.9
107.04947	0.9
107.08578	6.0
109.02865	3.0
109.06493	0.8
109.10165	2.3
116.53661	0.5
116.98622	5.5
117.07001	0.9
117.98936	1.1
119.08522	0.7
121.02856	0.6
121.06470	0.9
121.10123	2.2
122.03645	5.5
123.08036	0.9
125.06017	0.5
131.08575	0.9
133.02844	0.7
134.03622	0.7
134.99640	2.2
135.00731	0.6
135.04457	3.3
135.08095	0.5
135.11687	4.6
135.99991	0.6
137.02322	2.6
137.09622	1.0
138.03125	2.1
140.00146	0.7
143.08479	0.6
144.09387	0.5
145.10107	1.8
148.01561	0.8
149.02341	6.1
150.03105	5.8
151.03850	0.6
158.01280	0.8
159.11662	3.2
162.03163	0.6
163.03870	1.7
163.11212	2.7
164.04692	1.0
165.01874	0.8
165.05420	0.5
165.09045	0.5
167.03471	3.2
167.07065	0.9
169.10132	0.5
176.01077	0.7
177.12695	0.8
179.03374	5.0
180.04135	1.0
181.10146	0.8
181.12132	0.9
187.11169	0.6
193.01329	8.6
193.04955	16.8
195.02888	3.1
195.06429	0.6
195.11664	0.6
205.12262	1.7
207.02946	0.7
218.04478	0.5
223.06001	100.0
223.13004	7.8
223.14885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	Fraxidin
Peak:m/z	Relative Intensity
52.98774	0.9
55.05502	0.9
56.96574	2.4
67.05492	4.3
74.60583	1.0
79.05484	4.2
81.03418	1.9
81.07051	9.4
93.07022	1.8
95.04974	7.9
95.08610	8.6
98.97587	61.0
99.97926	16.1
107.08611	2.2
109.02859	4.6
109.06551	1.3
109.10158	1.9
109.94949	1.0
116.98618	55.4
117.98957	15.7
122.03646	2.3
133.13548	1.0
134.99666	38.8
135.04402	4.3
135.08115	1.1
136.00000	11.0
136.04964	1.0
137.02338	2.3
138.03133	1.1
140.00189	4.1
141.00494	1.9
145.10100	1.0
149.02370	12.0
150.03079	7.0
153.00674	6.9
158.01250	12.8
159.01619	12.3
159.11673	1.3
163.03802	3.6
163.11127	1.3
167.03328	1.3
176.02293	1.5
179.03424	4.9
180.04214	2.2
193.01318	5.6
193.03333	1.7
193.04918	16.2
195.02911	2.3
208.03708	1.4
210.69536	1.0
216.54131	1.2
223.06006	100.0
223.13255	4.4
223.16783	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	Fraxidin
Peak:m/z	Relative Intensity
56.96573	1.1
62.88826	0.5
67.05523	1.2
67.51267	0.7
72.62083	0.5
79.05478	0.6
81.07055	2.9
85.38605	0.5
93.07050	1.1
95.04946	2.6
95.08607	2.8
98.97591	27.6
99.31068	0.6
99.97924	7.4
103.01842	0.7
107.04976	0.5
109.02893	4.5
109.10127	1.1
116.98621	26.2
117.98980	7.0
121.02844	0.6
121.10155	0.6
122.03654	5.7
127.76872	0.5
127.86278	0.6
133.02872	0.8
134.99678	12.6
135.04462	4.1
135.99995	3.0
137.02347	3.0
138.03125	0.9
140.00171	2.9
141.00499	1.4
148.01509	0.9
149.02338	5.2
150.03143	4.6
151.03865	0.7
152.04645	0.8
153.00690	0.9
158.01256	4.4
159.01598	2.9
163.03900	2.7
163.11166	0.8
164.04643	0.7
165.05434	0.6
167.03392	2.4
167.07085	2.6
179.03369	7.7
180.04147	2.6
181.01372	0.6
182.15276	0.7
184.37590	0.5
193.01343	6.2
193.04973	19.8
195.03011	4.7
208.03667	0.8
223.06015	100.0
223.13214	2.0
237.08327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Fraxidin
Peak:m/z	Relative Intensity
56.96569	1.4
63.42205	0.5
67.05495	1.1
68.02215	0.5
70.74445	0.6
70.96240	0.5
73.25695	0.5
79.05495	0.7
81.03394	0.6
81.07047	3.7
93.07043	0.7
95.04947	1.2
95.08585	2.4
96.64524	0.6
98.97581	22.0
99.97918	5.5
101.96240	0.6
105.03307	0.6
105.06974	1.0
105.86005	0.6
107.04919	1.0
107.08598	0.9
109.02876	4.3
109.10143	0.7
116.98619	20.4
117.98923	6.3
121.02800	0.8
122.03640	4.5
134.99666	14.6
135.04388	4.9
135.99957	4.0
137.02342	1.4
138.03143	1.1
140.00182	1.1
142.45238	0.5
149.02319	6.9
149.09688	0.7
150.03091	5.2
152.04686	0.8
153.00670	2.1
154.12746	0.5
158.01244	4.3
159.01581	4.6
163.03886	2.6
163.11186	0.7
164.04655	0.7
164.69325	0.6
165.05391	0.6
167.03395	2.3
167.07095	0.8
177.12659	0.8
179.03436	4.1
180.04201	2.6
193.01366	6.1
193.04967	16.3
195.02878	3.3
201.80505	0.6
208.03691	0.8
223.05998	100.0
223.13283	3.4
223.15041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid
Peak:m/z	Relative Intensity
54.19329	1.7
55.01876	6.9
64.89577	1.6
65.03958	3.0
67.05496	7.0
67.38322	1.7
68.99782	9.5
78.43720	1.6
79.05495	21.3
81.03406	2.3
81.07046	13.6
89.03919	14.1
91.05488	32.1
93.07053	3.4
95.04958	14.6
95.08633	14.2
98.97583	41.2
99.97931	14.7
103.05461	3.2
105.03384	2.0
106.04175	8.1
107.04960	21.4
108.05746	2.1
108.12460	2.3
109.06503	1.9
109.10165	3.5
110.03642	1.9
111.04420	2.0
116.98618	29.8
117.03362	30.1
117.98956	7.3
118.04135	3.1
119.04937	20.7
120.02072	3.4
121.02903	4.0
121.06525	14.3
121.10172	2.4
124.05234	7.6
125.06015	2.8
131.04921	1.9
133.02856	7.9
133.06519	3.8
134.03633	17.8
134.99672	18.3
135.04419	60.6
136.00015	2.8
136.05191	12.4
137.05994	2.2
139.07558	21.2
140.00159	3.5
145.02844	39.3
146.03612	4.1
147.04422	15.4
149.02341	3.8
149.05986	26.1
151.07567	2.7
152.04680	6.8
153.05461	7.6
158.01274	7.8
159.01590	3.7
162.03073	13.8
163.03906	96.1
163.05284	3.1
164.04649	3.8
165.01839	2.1
165.05536	2.5
167.07040	19.0
175.03896	2.2
177.05460	49.0
178.02589	4.3
178.06308	2.3
179.07057	3.2
180.04117	9.0
181.05009	7.0
187.14833	2.3
190.02638	3.4
191.03419	43.7
191.07022	4.2
192.04170	4.5
192.07800	17.6
193.04964	4.1
195.06506	18.7
200.04942	1.9
205.12332	2.2
208.03751	10.0
212.06247	1.8
223.06010	100.0
223.09628	7.5
223.13261	4.4
223.16924	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.80448	0.8
55.05514	1.5
56.96564	4.8
67.05508	20.7
68.61080	0.9
69.07053	1.7
76.24868	1.2
79.05483	7.2
81.07062	57.3
83.08584	1.4
83.71546	1.1
92.20954	1.1
93.07037	8.2
95.04945	4.9
95.08610	63.6
96.85746	1.0
96.86653	0.9
98.97585	50.6
99.97923	14.2
107.08589	8.1
109.02837	1.5
109.06535	1.6
109.10146	18.3
116.98618	49.1
117.98962	16.0
119.08565	1.5
121.06467	1.1
121.10126	7.0
122.03609	2.4
123.08048	2.3
123.11684	1.4
125.06059	1.3
130.66103	1.1
131.08586	4.1
134.98747	1.7
134.99672	31.3
135.04408	4.7
135.99991	10.4
137.02341	5.1
140.00150	4.7
141.00484	2.0
142.04649	1.7
142.75400	1.0
145.10072	1.7
149.02347	7.5
149.09613	2.4
150.03088	4.7
153.00711	5.8
158.01254	9.0
159.01585	7.7
161.13141	1.1
163.03906	1.9
163.14786	1.5
164.04802	1.3
167.03395	1.3
175.44688	1.1
176.02315	1.8
179.03320	7.4
180.04161	1.7
187.14758	6.4
191.08226	1.9
193.01302	6.8
193.04950	17.0
195.02917	2.2
200.08748	5.0
205.15858	1.8
210.56238	1.0
221.57655	1.1
223.05995	100.0
223.11180	1.8
223.13106	8.6
223.16808	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	Fraxinol
Peak:m/z	Relative Intensity
55.01882	13.5
56.87884	1.6
65.03940	3.1
68.99790	26.6
75.40247	2.0
79.05500	26.4
82.07567	1.6
89.03928	4.6
90.64268	2.0
91.05478	40.9
93.03409	2.2
95.04950	13.5
98.97576	3.4
103.05450	3.4
103.57958	1.8
106.04182	2.7
107.04944	31.1
109.06541	3.2
111.04437	8.0
111.08141	2.4
117.03349	31.5
119.04933	18.2
120.02066	2.7
121.02828	14.1
121.06524	14.3
123.04428	1.8
124.05200	7.4
125.05979	8.3
131.04970	2.3
133.02879	4.3
133.06496	2.4
134.03638	13.8
135.04420	59.4
136.05185	7.3
137.05965	2.5
139.07547	28.5
140.04715	8.5
145.02856	17.2
147.04414	13.3
149.02328	2.8
149.05994	19.5
152.04704	4.1
153.05481	3.3
154.29202	2.2
162.03145	9.9
163.03905	100.0
163.07515	4.4
165.01872	2.2
165.05516	2.8
167.07071	21.7
177.01865	4.2
177.05469	43.9
178.02551	6.4
180.04189	28.0
180.07805	4.9
181.04964	3.5
181.08705	2.6
191.03415	18.2
191.07100	13.6
192.04143	2.4
192.07805	86.6
193.01343	2.4
193.04919	2.9
195.06532	33.8
195.10213	3.2
196.03671	2.0
205.08589	2.7
208.03717	27.3
208.07204	3.3
223.06000	90.7
223.09479	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
54.81804	0.7
55.01878	0.9
55.10957	0.7
58.40661	0.7
63.88727	0.7
66.63863	0.8
79.05477	1.1
85.40257	0.8
91.05457	6.2
93.07046	1.5
95.05000	1.2
95.08506	0.8
98.97561	1.7
103.05440	1.5
105.07024	1.8
107.04942	1.6
108.04442	1.3
111.04412	1.0
111.37692	0.8
115.05452	14.7
116.98600	1.5
117.06178	1.3
117.07015	38.6
119.04917	1.2
121.06473	7.0
126.63172	0.8
131.04886	2.0
132.05698	1.0
133.06451	4.9
134.07224	3.2
135.08012	4.3
137.06003	10.2
137.10721	3.6
139.96794	0.9
143.04866	1.6
144.05679	5.7
145.06490	26.5
147.04413	1.8
147.08034	1.5
149.05981	4.1
149.09674	2.9
151.07509	3.7
153.05440	1.2
155.06041	0.9
159.08049	4.1
160.05136	3.6
161.05927	4.7
162.03110	1.0
162.05504	1.0
162.06734	7.3
163.05827	2.0
163.07516	6.2
164.08325	2.8
167.08502	1.1
172.05171	1.1
173.05933	3.9
174.06705	0.9
175.07472	4.9
176.08368	0.8
177.00638	0.9
177.05446	5.3
177.09097	100.0
187.07550	7.4
190.06195	1.8
193.08556	1.0
195.08000	6.0
195.10066	3.6
205.08537	13.0
205.10403	2.4
208.03668	1.8
223.05910	2.6
223.07605	13.7
223.09601	84.2
223.11378	3.6
223.14240	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1076
Annotation	Gly-L-Phe
Peak:m/z	Relative Intensity
72.04506	0.4
84.08179	0.3
87.04485	0.3
91.05465	0.3
95.12824	0.2
108.08144	0.3
110.53786	0.2
116.86560	0.2
122.02719	0.5
124.67696	0.2
130.26909	0.2
136.07579	0.4
137.06020	0.5
137.07130	0.3
164.07057	100.0
205.09695	0.9
223.07358	0.3
223.10725	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
55.05522	1.1
63.17286	0.5
67.05511	5.3
69.07065	0.8
79.05497	1.4
81.03420	6.5
81.07063	9.7
91.05456	1.2
93.07031	1.0
95.04963	11.6
95.08610	9.1
98.97614	6.0
99.97952	1.1
102.39317	0.6
107.04983	2.9
107.08585	1.3
109.06474	1.2
109.10139	3.3
116.98576	2.8
121.10123	1.5
134.99623	1.0
145.10083	0.8
151.68555	0.8
156.48492	0.7
158.01225	0.9
159.11652	0.7
163.11168	0.8
173.56197	0.7
205.12231	1.3
218.08011	0.6
223.13274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.4
69.07059	0.9
71.46541	1.0
79.05476	1.3
81.07053	11.1
91.05473	3.8
93.07023	4.2
95.04935	1.8
95.08619	6.8
95.94369	0.9
98.97566	7.1
105.07050	2.1
106.23827	0.9
107.08612	2.1
109.10152	0.9
116.98607	5.0
117.06976	1.3
117.98959	1.3
129.07013	5.3
131.08566	4.4
134.99655	3.8
141.07021	3.8
143.08565	7.8
155.08568	7.6
163.11079	1.2
165.06828	1.0
166.07767	2.4
167.08554	12.2
169.10112	3.5
179.08542	4.8
180.09235	1.1
181.10106	35.3
182.10925	1.5
193.10190	7.1
194.10931	5.5
195.11705	16.7
204.92397	1.3
208.12491	9.0
208.70807	1.0
214.55858	1.0
223.11259	3.1
223.14812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
55.05515	4.8
56.96566	1.3
67.05508	28.1
69.07074	3.1
79.05499	9.9
81.03413	1.6
81.07062	98.5
83.04990	1.1
83.08613	1.7
93.07042	13.0
95.04971	1.4
95.08607	100.0
98.97583	18.7
99.64095	0.8
99.97921	6.4
105.07043	1.5
107.08591	13.6
109.06476	1.0
109.10153	27.3
115.09000	0.8
116.98628	12.5
117.98944	1.8
119.08567	1.8
120.45465	0.7
121.10130	9.0
123.08079	1.3
123.11720	2.1
127.03932	0.8
130.51616	0.8
131.08548	4.6
132.25558	0.8
133.10132	1.5
134.61377	1.0
134.99649	6.3
135.08028	1.3
135.11703	1.7
136.00015	1.9
140.00185	1.1
145.10130	6.6
149.09608	2.1
150.03178	0.8
153.00645	1.0
153.09164	1.0
158.01250	1.5
159.11732	0.9
161.13190	1.1
163.11256	2.9
163.14857	2.1
177.16409	1.5
181.12187	1.8
181.78477	0.9
182.12598	2.1
187.14816	8.3
205.15891	4.0
223.06061	3.8
223.11215	1.5
223.13121	1.8
223.14932	3.3
223.16876	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
51.88065	1.0
55.05511	1.5
67.05505	22.4
69.07076	1.1
79.05492	6.6
81.07063	100.0
81.84685	1.1
89.11890	1.1
93.07040	8.0
95.08609	90.3
98.97578	2.0
105.07027	2.0
107.08591	10.4
108.93127	1.1
109.10156	23.4
119.08545	2.3
121.10114	5.4
123.11720	1.5
131.08574	2.0
145.10149	2.5
149.09645	2.1
163.14777	2.1
169.08336	1.4
173.06090	1.5
187.14821	5.8
205.15875	2.0
223.13199	2.0
223.16875	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	Laggerol
Peak:m/z	Relative Intensity
55.01690	2.7
55.01888	46.2
55.05518	12.2
57.07080	11.5
57.49750	2.4
67.05511	32.1
69.07067	36.6
73.05708	2.3
74.43782	2.6
79.05495	6.6
81.07060	35.8
83.04997	20.3
83.08611	12.8
85.06533	4.1
92.21590	3.0
93.07035	12.5
95.04995	4.1
95.08607	46.7
97.06531	100.0
97.10156	5.8
98.97598	36.9
99.97917	13.0
103.10500	3.5
107.08600	11.1
109.10145	21.6
116.98606	26.4
117.98919	5.4
121.10132	17.3
123.11683	6.6
125.09601	5.4
129.77911	2.7
134.99673	18.0
135.11700	5.2
135.99937	3.2
140.00185	3.8
140.65578	2.7
149.13196	3.4
158.01251	5.3
159.01598	3.1
163.11200	3.5
163.14815	4.4
205.19537	4.4
223.14868	4.9
223.16949	4.8
223.20561	49.6
236.24887	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84918	0.5
57.40985	0.4
62.06097	0.8
63.94016	0.5
72.72651	0.5
74.06081	5.0
75.20113	0.5
81.76698	0.5
86.06081	4.8
87.04471	3.0
88.72692	0.5
91.05470	0.6
120.08236	0.8
121.06506	7.4
126.05592	0.8
128.07076	0.7
132.08112	2.4
136.06265	1.0
136.07469	0.6
137.05991	3.1
138.05511	2.8
138.09142	0.6
140.07028	0.7
150.09142	1.3
153.04097	3.5
157.29773	0.6
158.08134	2.1
161.06006	2.2
164.07059	40.1
177.05484	1.2
178.07239	100.0
178.08574	5.7
179.05580	0.8
188.07658	0.6
188.09189	5.0
196.09787	0.7
206.08138	2.5
206.10237	8.0
224.07768	15.0
224.09343	8.3
224.12755	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43354	0.6
58.62944	0.5
67.53911	0.5
69.69644	0.6
69.74258	0.5
71.36449	0.5
74.06083	0.6
74.50657	0.5
79.05482	0.8
91.05457	1.1
103.05471	4.7
105.07045	7.5
107.05000	1.5
108.04479	3.8
110.06065	1.1
117.05766	1.1
120.08095	0.9
121.06530	1.2
130.06548	2.6
131.04926	3.1
132.08092	100.0
149.05997	1.5
150.09077	1.0
164.07117	0.7
174.23308	0.6
175.03894	5.9
178.08627	98.4
188.38770	0.6
190.14200	0.6
192.06548	1.3
192.10114	0.7
201.66907	0.6
207.04617	1.0
207.06483	11.7
224.09190	5.2
224.12794	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
79.05495	1.8
87.04462	0.5
91.05499	1.9
91.93095	0.4
100.79878	0.4
103.05472	3.6
105.07043	6.8
107.04967	1.7
115.05495	0.5
117.05754	2.1
117.79536	0.4
119.07327	1.7
120.08070	0.4
121.06506	2.1
123.04398	0.5
130.06526	1.9
131.04956	2.9
132.08089	89.4
136.07574	4.0
149.06018	0.8
150.09128	1.8
164.07057	0.7
165.05461	0.6
165.09065	0.9
175.03905	0.7
178.08624	100.0
182.08165	0.5
192.06267	0.9
193.04955	1.8
206.04419	0.5
206.08005	2.1
206.10043	1.0
206.11807	0.9
224.09207	7.3
224.12794	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
57.43354	0.6
58.62944	0.5
67.53911	0.5
69.69644	0.6
69.74258	0.5
71.36449	0.5
74.06083	0.6
74.50657	0.5
79.05482	0.8
91.05457	1.1
103.05471	4.7
105.07045	7.5
107.05000	1.5
108.04479	3.8
110.06065	1.1
117.05766	1.1
120.08095	0.9
121.06530	1.2
130.06548	2.6
131.04926	3.1
132.08092	100.0
149.05997	1.5
150.09077	1.0
164.07117	0.7
174.23308	0.6
175.03894	5.9
178.08627	98.4
188.38770	0.6
190.14200	0.6
192.06548	1.3
192.10114	0.7
201.66907	0.6
207.04617	1.0
207.06483	11.7
224.09190	5.2
224.12794	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
54.94949	0.4
60.50256	0.4
70.71078	0.4
71.85152	0.5
74.06045	2.9
75.75542	0.5
86.06042	2.5
86.34125	0.4
87.04427	2.0
88.03957	2.8
89.57608	0.5
91.05474	0.9
93.11105	0.5
94.91294	0.4
97.02870	0.9
105.76817	0.5
110.07134	0.6
114.05515	1.9
115.05462	0.6
119.04929	0.6
121.06481	1.0
128.07047	0.7
132.06572	2.1
136.06189	2.3
137.05975	8.3
138.05464	3.0
143.04881	0.7
145.06453	0.7
146.06105	0.6
147.04407	0.7
149.05942	2.3
150.09122	0.6
151.07578	0.9
152.07042	0.6
158.08031	0.6
160.06100	0.5
160.07614	0.9
161.05997	5.8
163.07581	0.6
164.07062	100.0
165.07498	2.7
167.33809	0.5
178.07231	2.3
178.08626	40.2
179.07085	0.5
180.10182	1.2
188.09174	2.8
189.05475	1.0
195.04121	0.5
200.98230	1.0
206.08109	3.4
206.10216	6.1
206.11769	0.9
207.06490	0.9
224.05586	1.5
224.09203	40.2
224.12524	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	1.8
87.04462	0.5
91.05499	1.9
91.93095	0.4
100.79878	0.4
103.05472	3.6
105.07043	6.8
107.04967	1.7
115.05495	0.5
117.05754	2.1
117.79536	0.4
119.07327	1.7
120.08070	0.4
121.06506	2.1
123.04398	0.5
130.06526	1.9
131.04956	2.9
132.08089	89.4
136.07574	4.0
149.06018	0.8
150.09128	1.8
164.07057	0.7
165.05461	0.6
165.09065	0.9
175.03905	0.7
178.08624	100.0
182.08165	0.5
192.06267	0.9
193.04955	1.8
206.04419	0.5
206.08005	2.1
206.10043	1.0
206.11807	0.9
224.09207	7.3
224.12794	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
56.05039	4.3
57.03436	4.5
58.06591	1.2
61.02924	3.6
62.06094	13.3
68.26060	0.7
69.03429	6.6
72.04523	1.4
73.02914	10.6
74.06079	46.5
74.06501	1.5
81.03411	4.9
85.02908	12.3
86.06068	46.9
87.04478	3.5
95.53345	0.7
97.02886	21.6
98.06049	7.2
99.04462	3.2
100.07594	2.7
101.00902	0.7
101.02387	1.1
102.02406	3.5
102.05531	0.7
103.03928	4.3
104.07120	3.1
108.27132	0.7
109.03214	1.0
110.06035	0.8
111.02930	3.2
115.02137	0.7
115.03896	1.0
116.07088	4.6
117.02920	1.5
119.01913	2.7
121.03173	0.9
122.06011	0.8
123.02886	3.1
124.07590	1.1
126.03349	0.8
126.05512	6.5
127.03894	7.0
128.07068	9.9
129.01820	5.4
129.02823	1.6
131.01888	2.9
132.03415	1.8
132.99527	0.9
135.02908	1.3
138.03372	5.5
138.05453	1.0
140.07077	9.0
142.03529	1.0
142.08667	2.9
143.01855	6.2
144.03439	3.5
145.03427	1.2
145.04958	1.0
146.08160	1.0
147.02867	4.7
147.03920	1.5
152.07050	2.6
153.03928	3.2
155.01907	7.5
157.03461	0.9
158.08127	17.5
160.04565	5.2
161.02922	7.2
161.05911	1.6
164.07054	17.2
165.03932	1.2
167.01935	1.2
169.03432	1.3
170.08125	8.1
173.02982	9.7
174.04483	3.8
176.98206	1.1
178.08659	3.4
179.00085	2.9
183.05096	2.4
185.02887	7.7
187.04478	1.0
188.09166	56.1
192.05544	10.7
200.98412	1.3
201.02443	0.9
201.04416	1.1
201.06023	7.4
203.04013	5.3
206.10234	100.0
207.03220	5.9
221.05013	2.7
224.01801	0.9
224.05821	2.6
224.09050	5.5
224.11320	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01742	0.8
56.05041	5.7
57.03435	1.3
61.02935	1.3
62.06094	12.4
69.03415	2.2
72.04498	2.5
73.02905	2.3
74.06081	53.3
78.24306	0.9
81.03430	1.9
85.02903	4.8
86.06072	47.7
87.04448	2.2
97.02893	17.3
98.06063	6.1
99.04451	2.3
100.07608	1.7
103.03931	1.9
104.07131	3.8
109.93468	1.1
110.06069	1.3
116.07063	1.7
122.06067	1.2
124.07571	1.5
126.05489	8.3
126.30073	1.1
127.03931	4.5
128.07068	11.3
132.03423	1.1
138.05539	1.9
140.07079	8.3
142.08670	2.4
143.01886	1.4
143.05832	1.7
152.07077	1.4
158.08145	17.7
164.07039	11.8
165.07408	5.1
170.08179	8.8
178.08617	5.1
188.09172	58.5
200.98314	1.4
206.10229	100.0
224.09172	7.7
224.11290	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	6.0
57.03434	1.1
58.06601	3.0
61.02925	1.0
62.06094	12.1
65.94045	0.7
69.03429	3.1
73.02917	1.6
74.06081	47.1
81.03432	1.8
82.06583	0.8
85.02901	4.4
86.06071	47.6
90.23695	0.7
97.02897	15.6
98.06068	7.0
99.04467	1.3
100.07590	1.0
103.03951	4.0
104.07116	3.3
116.07089	1.7
124.07638	1.1
126.05509	7.0
127.03905	4.9
128.07077	11.2
137.06050	1.2
138.03433	0.8
139.81622	0.7
140.07068	7.3
142.08650	3.7
143.05812	1.5
145.04916	1.4
152.07030	3.7
158.08110	16.7
164.07036	11.3
170.08109	9.2
178.08623	0.7
188.09169	56.8
200.39351	0.8
206.10229	100.0
223.59679	0.8
224.01802	0.9
224.09267	2.0
224.11259	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39034	0.7
52.28167	0.5
53.19307	0.6
53.20111	0.5
53.24352	0.5
60.04528	4.9
62.15480	0.6
67.49119	0.6
72.04518	23.9
74.06081	0.9
86.06051	1.3
87.04478	0.9
91.48238	0.7
103.05483	0.6
117.06998	4.1
121.06503	4.5
123.04443	0.7
132.08075	4.6
133.06429	0.7
133.30193	0.6
136.07559	4.2
137.06001	3.8
141.77650	0.7
141.78801	0.7
145.06494	10.7
151.07561	3.2
152.08333	17.5
153.04190	0.8
163.07532	1.3
164.07048	1.1
165.05470	1.1
165.09114	18.2
167.07013	0.7
174.09111	1.3
176.08299	0.8
177.09103	11.0
178.07201	12.2
178.08641	11.8
179.05698	0.7
179.10611	4.4
192.10208	24.3
196.09659	1.3
206.08105	3.2
206.10040	1.8
206.11835	2.5
207.12503	4.3
224.09213	4.6
224.12807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.128
Annotation	Anhalidine
Peak:m/z	Relative Intensity
51.39034	0.7
52.28167	0.5
53.19307	0.6
53.20111	0.5
53.24352	0.5
60.04528	4.9
62.15480	0.6
67.49119	0.6
72.04518	23.9
74.06081	0.9
86.06051	1.3
87.04478	0.9
91.48238	0.7
103.05483	0.6
117.06998	4.1
121.06503	4.5
123.04443	0.7
132.08075	4.6
133.06429	0.7
133.30193	0.6
136.07559	4.2
137.06001	3.8
141.77650	0.7
141.78801	0.7
145.06494	10.7
151.07561	3.2
152.08333	17.5
153.04190	0.8
163.07532	1.3
164.07048	1.1
165.05470	1.1
165.09114	18.2
167.07013	0.7
174.09111	1.3
176.08299	0.8
177.09103	11.0
178.07201	12.2
178.08641	11.8
179.05698	0.7
179.10611	4.4
192.10208	24.3
196.09659	1.3
206.08105	3.2
206.10040	1.8
206.11835	2.5
207.12503	4.3
224.09213	4.6
224.12807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Stemoamide
Peak:m/z	Relative Intensity
56.07724	1.7
71.08632	29.0
71.08951	1.7
72.85972	1.5
73.93420	1.4
75.09623	1.5
110.06055	33.6
136.03964	4.0
154.04991	100.0
160.04558	1.8
224.06459	2.9
224.12839	31.8
241.35298	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1279
Annotation	(-)-Deacetylanisomycin
Peak:m/z	Relative Intensity
54.27780	0.3
57.53750	0.3
58.32497	0.3
91.05490	1.7
93.07029	3.8
95.04958	0.7
103.05468	3.3
104.07123	4.9
120.08085	0.5
121.06500	100.0
121.30097	0.4
136.07594	0.6
150.09138	10.1
160.11217	3.4
163.03883	0.5
178.12276	2.4
224.09396	0.5
224.12807	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
53.00312	1.3
57.46914	1.1
71.08629	26.0
92.04979	1.9
110.06047	29.2
111.04489	1.4
126.28757	1.2
130.76642	1.3
136.03912	6.1
154.04991	100.0
224.12811	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1279
Annotation	(-)-Deacetylanisomycin
Peak:m/z	Relative Intensity
53.55809	0.3
59.42860	0.4
63.06294	0.3
74.06075	1.6
78.20411	0.3
79.05453	0.4
85.02890	0.5
86.06041	2.1
87.04440	0.4
91.05464	2.4
93.07037	4.1
95.04957	0.6
97.02856	0.5
103.05455	2.6
104.07104	4.5
105.21475	0.4
107.04971	0.5
117.07049	0.5
118.06493	0.4
120.38056	0.4
121.06493	100.0
127.03844	0.5
131.04857	0.6
132.08090	9.0
136.07607	0.5
137.05949	3.3
138.05531	0.5
143.08540	0.4
145.06483	2.8
149.05957	2.3
150.06641	0.4
150.09068	2.6
158.08115	0.6
161.05943	4.1
163.07512	5.8
164.07039	9.4
164.10696	9.5
171.07996	0.8
178.07198	11.3
178.08630	12.9
179.07008	0.6
180.10194	5.3
188.09152	1.8
189.09114	5.4
196.09784	0.8
201.06113	0.4
206.08095	4.5
206.10187	2.6
206.11920	3.1
207.10208	0.5
224.09528	3.9
224.12788	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74729	0.8
55.01877	2.2
55.05523	16.4
56.05041	1.0
57.03437	4.3
57.07079	1.9
61.37196	0.8
66.04701	0.7
67.05515	19.3
67.60661	0.7
69.07069	17.8
69.86963	0.8
70.06575	1.3
71.04981	4.3
71.08627	2.1
72.04513	1.9
72.08165	1.8
76.49721	0.8
77.78458	0.9
79.05489	7.6
81.07062	62.9
83.04992	4.6
83.08618	14.7
84.08137	5.1
85.06539	1.7
86.06068	7.3
91.05497	8.2
93.07043	11.5
95.04972	3.7
95.08608	100.0
97.06532	8.3
97.10155	5.8
97.66434	0.8
98.06087	1.0
98.09679	1.8
98.98476	3.2
100.07624	12.3
105.07047	17.5
107.08589	6.9
109.06534	4.2
109.10153	6.8
111.08084	6.5
112.07603	1.7
112.11219	1.1
114.09158	9.9
114.16016	1.0
118.98186	1.1
119.08579	29.8
119.96822	0.8
121.10133	10.9
123.08019	8.0
126.09164	5.0
127.01527	1.4
128.10701	1.9
129.07039	1.0
133.10136	18.7
135.11693	16.4
137.09596	1.9
137.13266	20.7
140.10698	3.7
147.11636	1.5
151.14778	1.1
160.04541	1.4
161.13245	64.8
171.11714	1.6
178.15910	3.3
179.14304	27.5
181.08594	4.5
182.15445	3.7
195.10191	1.2
196.16962	28.1
207.13771	1.4
224.07083	1.3
224.16496	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33889	0.2
54.02747	0.2
58.06606	3.1
62.18452	0.2
67.26221	0.2
69.07072	6.4
98.88486	0.2
100.11260	100.0
140.39769	0.3
196.16966	10.0
224.10750	0.6
224.16518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2005
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
52.73785	3.4
55.05523	32.2
57.07074	6.7
67.05497	28.9
69.07063	46.6
79.05513	4.6
81.07055	50.3
83.08621	53.4
86.06077	7.3
91.05447	16.4
93.07023	10.0
95.08612	84.2
97.06522	7.0
97.10162	30.2
98.98464	18.2
100.07623	9.2
105.07000	5.0
107.08598	27.0
109.10163	75.0
111.08074	7.7
114.09167	24.1
118.98158	7.0
119.08588	10.5
121.10152	11.3
123.08028	8.9
123.11705	36.6
125.09635	8.7
128.10724	18.8
133.10130	24.7
142.12271	6.4
146.39203	5.0
147.11697	28.0
151.11159	5.1
160.04533	9.7
163.14807	4.8
164.80759	4.4
170.29637	4.5
189.16373	95.3
207.17426	56.3
224.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05520	28.6
57.07074	5.9
61.81469	2.7
67.05505	39.0
69.07076	34.3
70.06615	3.7
79.05485	3.8
81.07066	56.9
83.08618	39.8
84.08133	3.1
84.51394	3.5
86.06078	4.1
91.05480	5.2
93.07018	13.8
95.08606	62.8
97.06519	3.6
97.10168	37.2
98.98455	5.5
99.08048	4.5
100.07610	19.2
107.08599	26.4
109.10160	74.5
111.08080	20.5
114.09180	15.5
119.08572	13.7
119.79819	3.3
121.10136	14.0
123.11723	40.3
125.09628	13.9
126.36713	3.0
127.01552	5.3
128.10707	13.4
133.10097	31.0
137.09578	3.9
139.11125	4.2
139.77518	3.3
142.12297	6.5
144.29364	3.2
147.11690	16.0
160.04567	12.5
161.13197	7.6
163.14728	3.2
165.16373	5.5
178.05806	3.8
189.16368	96.6
207.17468	64.5
224.20093	100.0
224.22292	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43396	2.9
55.05516	27.6
56.32147	3.5
57.07066	4.1
59.52566	3.1
60.49633	3.2
67.05515	29.6
67.60857	3.1
69.07059	46.4
71.08620	3.7
79.05523	5.7
80.38832	3.3
81.07057	62.3
81.68568	3.1
83.08619	44.5
85.06570	4.0
86.06061	6.7
86.09742	3.5
90.51128	3.1
91.05505	7.0
93.07041	14.6
95.06138	3.3
95.08614	83.1
97.06519	8.9
97.10173	35.6
100.07615	17.6
105.07005	3.7
107.08595	27.4
109.10162	66.8
111.08073	18.8
111.09198	4.8
114.09180	25.0
119.08602	15.1
121.10133	13.5
123.11714	35.9
125.09624	14.8
128.10728	17.6
133.10144	31.1
135.11681	4.1
137.43588	3.7
140.10693	3.9
142.12198	6.8
147.11690	23.7
161.13251	5.0
163.14799	7.1
165.16368	5.3
174.67421	3.8
189.16377	100.0
205.50938	4.0
207.17439	51.9
224.16620	5.8
224.20045	94.3
224.22028	5.8
243.40697	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.2007
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
52.63160	2.4
54.30930	2.4
55.01858	2.9
55.05521	24.4
56.93961	2.1
57.07072	4.3
61.59332	3.1
67.05506	39.8
69.07066	36.5
71.08622	4.0
79.05479	4.2
81.07053	51.5
82.07390	5.6
83.08610	39.3
84.08155	3.3
85.06548	6.1
86.06059	5.6
91.05472	5.9
93.07026	12.9
95.04964	3.3
95.08597	74.4
96.08943	4.5
97.06529	6.5
97.10168	31.9
98.98437	4.8
100.07615	13.0
100.97993	5.2
103.34945	3.0
105.07034	5.1
107.08580	25.1
109.10148	75.2
111.08088	12.6
114.09140	14.2
118.99000	3.0
119.08576	16.8
121.10149	13.4
123.11694	38.2
125.09607	13.7
126.09090	3.7
128.10719	20.9
132.65050	3.6
133.10120	21.6
135.40154	2.9
137.09599	3.6
142.03508	3.6
142.12263	5.2
147.11664	17.7
150.70607	3.3
160.04541	15.5
161.13223	3.9
165.16389	6.0
178.05443	3.9
189.16367	78.7
207.17435	41.1
224.20058	100.0
237.01788	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88329	2.1
57.23537	2.2
64.83966	2.6
67.05529	3.5
68.36530	2.8
69.03413	2.8
71.04964	3.0
71.69022	2.2
72.57617	2.2
74.06087	6.2
75.06426	3.6
83.04971	2.9
85.02898	6.3
86.06082	5.4
92.21485	3.7
97.02859	6.5
98.98449	2.8
99.04464	4.2
119.01915	19.6
123.04397	3.1
127.37399	2.8
129.04070	2.9
130.04985	11.7
137.02962	4.7
139.03755	13.7
142.03494	6.6
145.03481	5.6
155.97282	2.9
161.02962	4.1
165.07541	3.5
179.04057	4.0
181.04716	92.2
187.92870	4.2
189.09521	17.5
207.06461	5.6
207.10567	29.2
225.00195	4.2
225.03688	100.0
225.08737	17.0
236.77528	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0392
Annotation	2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Peak:m/z	Relative Intensity
53.03954	0.7
58.06555	0.3
59.20074	0.5
73.44873	0.3
79.05481	0.5
81.03415	3.0
85.02898	0.9
89.70657	0.4
95.04948	0.5
97.02885	0.8
99.04451	1.7
109.02883	10.9
123.04419	2.5
126.03171	0.5
127.03895	0.4
154.02605	3.4
155.06999	0.9
165.01813	7.0
175.04060	0.4
179.03378	0.9
182.02086	1.7
183.06583	0.8
193.04836	0.5
197.04431	0.6
197.68549	0.4
207.10294	0.4
210.01590	100.0
225.03932	97.3
225.07249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61640	5.2
55.05518	8.7
56.96574	6.0
69.03423	9.3
84.08153	9.9
85.02908	9.9
85.35010	6.5
87.04481	11.3
95.04967	17.3
97.02901	14.5
106.85762	7.3
110.06002	6.7
117.05501	17.4
119.01914	32.5
122.06041	8.4
123.04449	33.7
127.04012	8.7
136.03972	29.1
136.07549	8.8
142.03546	16.8
143.00192	46.5
144.04381	8.0
145.03485	85.4
154.95326	7.7
155.07030	12.2
161.01241	61.7
163.04504	64.3
165.07477	53.6
166.05002	92.9
175.04486	11.8
179.02399	10.3
179.03973	11.5
179.09113	12.3
180.06631	15.5
180.25789	7.7
183.06541	16.9
189.09502	14.5
190.05057	13.0
207.07642	47.4
207.10719	31.7
213.06137	100.0
225.06105	26.6
225.09158	38.6
225.12151	73.7
231.07143	39.5
243.07243	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24068	0.9
55.40862	1.0
56.05040	4.6
57.05383	1.1
60.55070	1.0
62.06110	10.5
63.06424	2.9
72.04527	1.4
73.02905	1.8
74.06091	25.2
75.05773	1.4
75.06412	15.3
76.13999	1.0
85.02898	2.8
86.06071	26.7
87.05857	1.8
87.06398	20.9
88.95231	1.1
97.02885	6.7
98.03223	7.8
98.06080	1.1
99.04467	1.4
99.06384	2.8
101.00861	8.9
103.03934	2.2
104.07145	1.6
104.88469	1.1
116.07063	1.1
119.01921	65.3
124.02471	2.8
127.05842	4.6
128.04228	2.6
128.07083	2.3
129.07445	6.8
137.02974	21.4
141.07382	7.0
142.03513	48.6
155.01042	1.4
158.08035	1.4
159.08473	15.1
160.04521	12.6
161.02948	26.7
165.05005	1.2
171.08435	7.1
175.26706	1.1
179.00708	1.9
179.03995	29.9
184.04532	2.1
189.09523	58.4
202.05684	2.4
207.10588	100.0
225.11609	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.14498	0.2
55.01884	0.3
56.14736	0.2
59.42838	0.2
60.22136	0.2
65.03955	1.8
69.07059	0.3
77.03937	0.5
79.05521	0.3
89.03914	0.5
91.05482	25.0
93.03458	0.2
95.04978	1.6
95.08604	0.2
95.84319	0.2
99.04454	0.9
103.05479	2.2
105.03426	0.4
105.07034	0.3
107.04942	0.4
107.08609	0.4
109.06561	0.3
116.51203	0.2
118.04181	2.1
119.04940	54.9
121.02816	0.3
121.06503	1.0
123.04459	1.8
123.08015	0.4
123.11677	0.3
125.05994	0.4
129.03355	0.5
131.04933	1.0
132.02068	1.5
133.02858	0.6
135.04434	0.9
136.05205	0.5
137.05994	0.5
145.02855	1.1
146.03667	1.1
147.04408	55.2
149.02342	2.0
149.05977	0.3
149.09648	0.3
151.07578	0.4
153.05479	1.4
155.07021	0.5
157.03969	6.1
157.05179	0.4
161.13144	0.2
162.03082	0.3
163.03905	0.3
164.04683	4.5
165.05504	0.3
166.06458	0.2
167.06990	0.3
174.03137	1.2
175.03899	91.2
177.01880	0.8
177.05562	0.3
179.07001	4.6
181.08655	0.5
183.06540	1.6
192.04167	32.0
193.05066	1.9
197.05887	0.3
207.06523	100.0
225.07401	0.6
225.09254	0.3
241.83638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.69417	0.6
67.28813	0.6
69.03425	0.6
69.08630	0.7
70.57345	0.6
75.04459	0.7
79.05481	1.3
80.15305	0.7
81.03426	0.7
91.05482	24.3
93.07023	1.0
95.04965	4.3
95.08601	1.0
99.04473	0.8
103.05434	0.9
105.03321	0.8
107.04952	1.0
107.08563	1.2
109.06493	1.1
109.10143	1.0
110.95684	0.8
118.04126	0.9
119.04940	61.9
123.04404	3.9
132.02089	1.1
134.03569	0.8
135.04436	1.2
135.11699	2.8
136.05228	0.8
137.05981	1.6
147.04405	57.8
149.02379	1.7
153.05409	2.8
157.03955	5.9
163.03873	1.0
164.04643	3.3
165.05470	1.0
167.07056	2.9
174.03116	2.9
175.03900	93.6
179.07007	7.0
179.14218	1.5
180.04167	1.8
181.08574	2.7
183.06500	1.4
192.04163	31.3
193.04997	1.7
207.06520	100.0
220.38606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.53897	0.8
53.03954	6.3
55.01883	1.9
65.03941	1.0
69.03428	5.7
71.04993	2.3
79.05490	1.1
81.03424	15.8
81.07047	3.7
81.96762	0.9
83.04968	1.5
83.08604	1.0
85.02917	4.7
91.05485	24.9
95.04980	2.2
95.08548	1.1
97.02885	4.4
99.04456	47.4
102.51405	1.0
103.05465	1.4
105.06994	1.1
107.04947	1.8
107.08596	1.3
109.02882	19.5
109.06523	4.2
109.10144	1.1
113.05980	1.2
118.04179	1.7
119.04946	56.0
119.08595	1.5
121.06522	1.2
121.10143	1.6
123.04421	4.9
123.08093	1.6
123.11681	2.1
125.05965	2.2
127.03919	9.6
131.08636	1.0
135.04462	1.1
137.05984	2.0
139.03819	0.9
147.04404	62.0
149.02315	1.4
149.09656	1.3
151.07526	3.6
155.07037	1.9
157.03970	5.6
163.03831	1.2
164.04675	5.6
165.05493	1.8
167.07112	1.4
175.03905	97.9
179.06958	6.8
179.08501	1.3
180.04146	3.7
181.08725	1.0
183.06523	6.5
192.04172	30.2
192.05821	1.9
193.04970	6.1
207.06506	100.0
207.13768	4.2
210.06639	2.1
225.05565	1.8
225.07430	4.9
225.09048	7.6
225.16385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	Plumbagic acid
Peak:m/z	Relative Intensity
53.03961	23.4
55.01881	1.2
57.03456	1.4
58.80107	1.4
63.85010	1.1
64.14205	1.1
69.03429	5.4
71.04993	8.8
73.50204	1.2
73.57565	1.2
75.35297	1.2
79.05473	1.2
81.03425	45.7
81.07050	1.6
85.02905	2.3
85.55531	1.2
91.05487	10.3
97.02886	8.4
99.04456	100.0
109.02877	26.5
119.04933	24.1
127.03896	17.9
129.71260	1.2
131.59569	1.3
136.87682	1.3
147.04398	23.9
151.03896	2.8
151.07509	1.6
157.03894	1.7
164.04700	2.3
175.03896	48.7
177.55287	1.3
179.07071	2.5
192.04211	13.8
207.06512	54.2
225.07510	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03944	0.6
55.01883	0.7
55.05522	0.6
55.19933	0.4
65.03965	0.7
67.05502	1.1
69.03445	0.7
69.07076	1.9
71.04986	2.0
79.05495	2.6
79.67767	0.4
81.03400	1.0
81.07053	1.2
81.28718	0.5
83.04978	0.8
83.08595	0.9
89.03924	0.6
91.05479	28.2
93.07043	1.2
94.66199	0.6
95.04977	2.1
95.08575	1.1
97.02898	1.1
97.06574	0.5
98.98470	20.1
99.04447	5.3
103.05486	2.4
105.03391	0.6
105.07027	1.1
107.04966	3.6
107.08569	1.2
107.75051	0.4
108.05772	0.6
109.02873	10.7
109.06507	2.0
109.10139	1.0
118.04188	2.1
119.04941	55.6
119.08558	1.1
121.06534	0.7
121.10107	0.5
123.04451	2.9
123.08040	0.7
123.11719	0.7
125.06027	0.9
127.01579	4.9
128.01915	2.5
131.04886	0.6
132.02069	1.9
133.10124	2.0
135.04433	0.7
136.05215	0.9
137.05956	1.1
143.08583	0.9
145.02887	0.7
146.03662	0.6
147.04405	58.8
147.11716	0.7
147.52626	0.5
149.02362	2.6
149.09624	0.7
151.07620	1.0
151.32632	0.4
153.05470	0.9
155.04668	1.1
156.05016	2.6
157.03975	6.3
161.09604	2.6
161.13280	0.6
163.03967	0.9
164.04672	5.1
165.05385	0.7
165.12688	0.5
166.06357	0.7
167.07039	2.9
167.10873	0.5
174.03114	0.8
175.03893	98.6
177.01871	0.6
179.07014	6.1
180.04207	0.7
183.06508	1.2
183.11728	0.9
184.08159	1.1
189.09142	2.6
192.04166	34.5
193.04974	2.3
195.06500	0.6
207.06517	100.0
225.07378	1.5
225.09325	1.2
225.11082	0.7
225.16495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.08926	1.0
52.40514	1.3
65.03949	1.8
66.14719	1.1
66.84283	1.2
68.27636	1.1
69.03432	1.4
71.04969	1.3
76.37734	1.4
81.03420	2.1
88.29429	1.8
88.80123	1.5
91.05479	29.0
93.07031	2.7
95.04955	15.0
95.08592	1.6
96.84603	1.3
99.04460	6.5
103.05501	2.9
104.33726	1.4
105.07009	1.6
109.06533	2.0
119.04943	56.8
121.06493	2.9
123.04437	27.0
123.11777	1.6
125.06016	1.9
140.04698	3.0
147.03311	2.6
147.04417	57.6
149.06024	2.4
149.09538	1.7
155.07068	15.8
157.04002	5.9
163.11148	2.1
164.04671	2.9
169.42216	1.7
175.03891	84.4
179.07083	8.3
183.06548	23.6
189.09270	1.6
189.12810	2.1
192.04179	35.6
193.04926	2.7
198.39594	1.5
207.06519	100.0
207.13759	2.4
224.06946	1.8
225.07596	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.40328	0.4
55.01880	1.2
57.47683	0.5
60.29281	0.4
63.05317	0.4
64.09084	0.4
65.03935	0.8
67.05519	0.5
68.50736	0.5
71.01368	0.9
76.56461	0.5
77.03937	0.5
78.08385	0.4
79.05486	1.1
79.46217	0.5
80.85442	0.5
81.07077	0.6
84.20709	0.4
91.05483	27.2
92.21465	0.6
93.07060	0.7
95.04971	3.7
99.04436	1.0
103.05466	3.6
105.03377	2.5
107.04974	0.9
108.67794	0.5
109.06512	2.1
111.04406	0.7
112.68159	0.4
118.04162	2.3
119.04943	61.3
121.06518	1.1
122.03646	0.8
123.04436	4.2
125.05999	0.9
129.03384	0.9
132.02080	1.8
133.02869	2.3
136.05188	0.8
137.06017	6.3
140.04666	0.9
145.02841	1.0
146.03598	0.6
147.04419	58.6
149.02330	3.0
149.05922	0.7
151.07597	2.2
153.05475	6.0
155.07042	1.9
157.03964	6.0
161.09546	0.5
163.03873	1.0
164.04736	5.1
165.05444	2.9
165.06743	0.6
167.07047	7.7
174.03152	0.9
175.03905	96.0
177.01883	0.7
179.07076	8.4
180.04192	2.1
181.04909	1.0
181.08528	0.8
182.05739	0.6
183.06499	2.5
183.11740	0.5
192.04178	31.2
193.04968	3.0
195.06560	0.7
204.36089	0.6
207.06528	100.0
210.06821	0.8
225.07549	2.5
225.09319	0.9
225.16408	0.6
241.46919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Sinapate
Peak:m/z	Relative Intensity
55.01877	1.2
65.03938	1.2
67.05499	1.0
77.67078	1.0
79.18384	1.1
81.07060	1.6
87.04451	1.2
91.05476	23.0
93.07039	1.6
95.04951	2.5
99.04436	2.5
103.05476	2.3
107.04948	6.7
109.06527	2.0
119.04942	56.3
121.06473	2.3
123.04417	9.8
127.04016	1.1
133.02853	1.5
134.03627	1.3
134.09660	1.3
135.04439	2.1
137.05974	6.9
147.04405	53.8
149.02299	1.5
155.07123	1.4
157.04001	5.1
161.10811	1.1
162.05495	6.1
163.03871	8.0
163.11147	1.4
164.04698	4.0
164.07033	1.7
165.05473	5.8
166.05020	2.3
167.07059	1.8
174.03146	1.2
175.03896	89.5
179.07013	6.2
179.08345	1.4
180.04158	17.4
183.06522	7.4
190.05002	7.2
192.04166	29.2
193.04973	11.9
195.06522	4.2
197.08118	1.2
207.06436	100.0
208.06044	20.7
225.03694	1.5
225.07668	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0869
Annotation	D-3-Hydroxykynurenine
Peak:m/z	Relative Intensity
53.03940	0.5
55.25712	0.4
60.04538	4.7
61.35727	0.4
63.38748	0.5
72.04525	5.6
78.83588	0.5
80.04995	0.6
95.04956	2.8
120.04464	0.9
123.04429	0.6
136.03944	45.6
148.03947	4.6
166.04996	100.0
172.03906	1.3
179.08960	1.0
188.71315	0.6
190.04967	8.9
207.07654	19.2
208.06108	2.2
225.08745	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.12291	1.0
53.03948	5.2
55.01876	3.0
55.05500	2.1
55.85050	1.2
56.96565	2.2
57.03424	1.5
64.43442	1.2
67.05511	11.8
67.72966	1.2
69.07066	6.9
71.04987	6.1
74.64466	1.2
75.68880	1.4
78.99483	1.1
79.05486	7.1
81.03408	6.3
81.07059	7.5
83.08616	2.9
86.43786	1.2
89.98766	1.1
91.05479	12.8
93.07053	9.7
95.04971	5.4
95.08617	12.6
97.02882	10.9
97.06570	1.6
99.00831	2.0
99.04446	1.9
99.08089	1.3
100.24648	1.4
105.07030	10.8
107.04944	23.4
107.08585	2.9
109.02878	100.0
109.06563	1.7
109.10119	3.2
111.04430	1.4
111.08053	8.2
117.06982	6.1
119.04897	4.4
119.08559	6.6
121.06543	1.7
123.04408	6.1
129.06995	1.8
131.26414	1.2
133.06477	2.7
133.10114	18.7
135.05646	1.8
137.06062	1.4
143.08563	9.6
145.06499	2.2
147.04404	5.8
147.08078	1.7
151.11183	2.0
153.06850	1.7
161.09608	29.9
171.08023	12.7
175.03981	1.8
179.10623	3.2
184.09441	1.8
189.09094	26.5
192.04150	2.4
202.13443	1.3
204.74266	1.3
207.06509	3.0
207.10172	5.5
207.13644	1.6
225.11107	17.6
225.13159	1.8
225.14110	1.4
225.16232	2.1
229.07596	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03952	3.3
55.01877	1.9
55.05510	3.5
55.19050	0.7
56.96564	3.6
57.03437	1.2
59.04993	0.9
64.48569	1.0
67.05507	12.1
69.03416	0.8
69.07066	8.0
71.04998	3.6
77.50138	0.8
78.21141	0.8
79.05492	7.6
81.03425	5.0
81.07067	5.4
83.04984	1.0
83.08622	4.4
85.06532	1.1
89.25477	1.2
91.05471	10.1
93.07038	9.1
95.04960	6.0
95.08613	10.8
97.02891	12.0
97.06522	5.0
99.00832	1.9
99.04469	1.2
105.07060	8.7
107.04964	25.6
107.08596	4.3
109.02884	100.0
109.10139	1.8
111.04424	1.4
111.08083	9.2
117.07005	3.9
119.04919	4.2
119.08569	5.8
121.06567	1.1
121.10123	1.1
123.04437	5.9
128.06195	1.5
129.06981	1.6
131.08481	1.1
133.06470	2.1
133.10118	23.4
143.07552	1.0
143.08528	9.3
145.06453	2.1
147.04419	4.1
147.08038	1.7
148.81265	0.9
151.11211	1.5
153.07025	1.7
154.04990	4.2
155.05344	4.0
157.03928	0.9
161.06044	1.2
161.09616	31.7
171.08057	14.2
175.03958	2.1
175.08798	2.0
179.10677	5.9
180.21858	1.0
189.09097	28.1
193.09837	1.0
200.75333	0.9
207.06583	5.0
207.10161	5.8
225.11176	19.2
225.13219	2.9
225.16405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
53.43699	0.4
57.55779	0.4
69.03413	0.9
70.06586	0.5
79.05506	0.8
80.05005	0.8
81.03407	2.1
81.07069	1.8
82.06541	0.6
83.04982	0.5
84.08147	17.8
91.05471	2.4
93.07014	0.6
95.04964	0.5
97.06501	0.7
97.10120	0.5
99.04467	4.3
99.08089	0.4
107.08636	0.8
109.02868	1.0
109.10183	0.4
117.67892	0.4
119.04959	3.3
120.08109	0.5
121.06490	2.0
122.06828	2.3
123.04380	0.7
125.05968	2.8
127.03895	0.7
130.08641	7.7
133.08374	0.5
134.09651	100.0
139.09428	0.4
147.04395	5.2
151.07504	0.7
151.12387	0.5
152.10681	0.5
161.10728	70.8
162.09122	1.7
163.11157	4.9
165.09065	0.5
175.03876	6.4
179.07002	0.8
179.08974	0.8
179.11771	6.4
192.04193	2.5
193.04500	0.4
197.12842	12.9
197.14505	0.8
207.06465	9.1
225.03731	1.0
225.07509	0.9
225.12268	8.0
225.14384	0.6
225.16817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01880	3.7
55.05513	20.2
57.03442	5.0
67.05506	39.1
69.03406	3.0
69.07063	15.8
70.14664	3.2
71.04990	14.2
79.05493	35.1
81.07066	75.2
83.04993	26.1
83.08642	21.1
85.06554	4.5
87.04459	2.9
91.05483	47.1
93.07045	35.1
95.04968	100.0
95.08611	41.2
97.06541	35.3
99.04445	7.1
99.08123	3.3
101.95038	15.5
105.07026	46.2
107.04974	23.4
107.08589	22.9
109.06524	38.0
109.10162	6.3
111.08079	11.1
113.05952	3.1
119.04970	3.8
119.08568	34.1
119.96075	7.4
121.06509	3.7
121.10120	14.7
123.08073	37.6
123.11738	5.4
125.06036	4.8
127.07525	5.4
129.06996	17.9
131.08563	16.1
133.06499	4.1
133.10114	35.4
135.11710	6.6
137.09622	4.5
137.97089	3.5
143.08557	18.6
145.10129	24.3
147.11673	55.6
149.09651	25.2
155.08511	4.1
159.11742	4.9
159.62726	3.8
160.98694	4.7
161.09583	3.8
161.13260	32.9
163.11172	6.6
165.12741	12.5
169.10124	13.8
171.11719	39.3
175.03889	3.6
179.14322	5.6
183.09259	4.7
183.11655	7.4
184.09387	3.6
189.12738	47.5
207.06520	5.6
207.13803	64.7
225.09146	3.8
225.12840	3.5
225.14766	48.8
225.16515	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.81181	0.8
55.05511	0.9
57.07077	4.4
59.05010	0.9
64.62199	0.8
66.38494	0.9
67.05520	13.7
67.21081	0.8
69.03458	1.5
69.07076	1.2
79.05479	1.2
80.06063	0.9
81.07061	19.3
83.04983	1.0
85.02912	100.0
85.06541	5.8
86.56014	1.1
91.05473	5.6
93.07051	6.1
95.04971	1.5
95.08611	65.5
99.04459	4.3
105.07034	4.8
107.08604	8.4
109.02851	1.1
109.06529	1.9
109.10176	13.0
113.05989	4.1
119.04913	8.2
119.08585	13.4
121.06515	1.5
121.10139	12.0
123.08084	23.0
123.11710	91.7
124.31876	1.0
125.05978	6.1
128.11482	1.0
135.11693	6.5
139.07474	1.0
145.10178	1.4
147.04388	10.4
147.08049	3.7
147.11673	6.9
149.09624	19.8
151.07565	5.2
156.86145	1.1
157.32718	1.1
161.13260	7.8
163.11215	1.8
165.12730	2.1
167.10725	1.3
174.85423	1.1
175.03909	16.3
189.12758	8.4
192.04146	5.1
195.07758	1.0
197.06119	1.3
207.06516	17.2
207.13802	23.0
225.14894	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.48762	2.2
53.54132	1.9
55.05513	15.2
57.03188	4.6
57.03444	100.0
59.04992	2.9
67.05511	20.2
69.07069	5.7
71.04991	3.9
79.05491	19.7
81.07066	30.0
83.08617	6.2
85.06550	20.9
91.05478	44.6
93.07037	25.4
95.04971	39.2
95.08601	17.2
95.85238	3.0
96.09925	2.7
97.06534	4.3
99.04459	4.9
101.95031	18.2
105.07043	11.8
107.04948	23.6
107.08607	13.3
107.78454	2.7
109.06523	95.9
111.08070	18.5
117.06965	3.3
119.04932	2.9
119.08589	5.7
119.96036	4.3
121.10175	3.6
123.08062	11.1
125.05994	23.9
129.06998	10.8
131.08531	6.0
133.10097	31.9
134.94347	3.1
135.08043	32.9
137.97174	3.6
147.08057	4.4
147.11734	3.9
149.09605	25.2
151.11185	42.4
160.98698	4.2
161.09622	6.3
161.13264	11.5
179.14305	5.8
189.12764	14.3
207.06573	4.7
207.13750	30.6
217.49509	3.0
225.13957	3.0
225.19583	5.1
233.83586	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.2212
Annotation	2,3-Dihydrofarnesol
Peak:m/z	Relative Intensity
55.05515	2.9
57.07069	2.4
59.33188	1.7
67.05499	8.4
68.22865	1.5
69.07064	16.4
69.69772	1.5
71.04987	1.8
71.08634	100.0
72.82120	1.6
73.30552	1.9
78.15585	1.6
81.07059	18.3
81.66717	1.6
83.08630	11.7
85.06522	1.8
87.08102	1.9
95.08602	15.1
97.10187	2.9
99.04443	2.1
99.08096	63.6
101.95031	7.4
108.11121	1.6
109.10156	11.5
123.11694	9.9
127.11198	2.6
137.13261	3.9
160.98705	2.2
174.86977	2.1
183.09190	2.5
207.21075	7.6
225.13869	8.1
225.22293	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.107
Annotation	3-hydroxy-5-methyl-o-methyltyrosine
Peak:m/z	Relative Intensity
54.58881	0.3
68.71452	0.3
68.94720	0.3
70.06593	0.3
81.03419	0.6
86.06636	0.3
87.04459	2.1
91.05475	2.0
93.07039	5.2
95.04958	1.4
96.04468	0.7
96.08154	1.3
99.04446	0.5
103.05469	2.2
118.21214	0.4
121.06499	100.0
122.06034	0.6
125.91966	0.3
137.05991	1.9
140.03423	0.7
140.07059	5.2
145.03490	0.4
150.09132	1.9
152.07098	0.3
168.03603	0.5
177.04079	0.3
180.06461	0.5
180.10136	2.5
185.03015	0.3
201.81866	0.3
203.04025	0.4
208.09654	2.7
209.12842	1.3
226.07086	1.7
226.10710	22.5
226.14314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43997	0.6
57.35555	0.6
87.04458	1.4
89.21313	0.7
91.05496	1.4
93.07055	1.0
103.05499	1.1
106.06587	1.4
118.06561	1.2
120.08101	18.8
121.06506	9.0
123.04417	1.0
130.06544	6.2
133.05238	28.5
133.92673	0.8
134.06007	1.1
138.09177	0.7
140.07077	0.7
146.05988	1.0
147.06792	1.0
148.07574	75.6
149.05962	3.4
152.07033	1.4
162.05550	1.2
162.09142	1.4
166.04942	1.3
167.05356	1.7
176.07065	100.0
177.05482	9.6
177.07846	5.1
180.06583	1.8
180.10229	0.8
181.08553	3.1
193.07317	3.0
194.08159	2.9
198.07739	0.9
208.05998	0.8
208.09686	20.4
209.08110	1.8
210.75929	0.8
226.08612	3.5
226.10738	6.7
232.58360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52338	0.3
55.15474	0.3
56.96483	0.3
62.68987	0.3
67.05417	0.4
69.03335	0.4
70.06483	9.1
70.06908	1.6
84.04405	0.7
84.08026	9.4
84.08572	1.0
85.82387	0.3
87.04353	4.3
87.04929	0.6
95.04852	0.5
96.04397	0.6
97.02779	1.7
98.05978	0.7
111.05502	0.4
111.18812	0.4
112.03854	0.5
112.07470	1.8
122.05946	0.5
124.03900	1.0
125.07111	25.2
125.07974	0.9
129.10132	1.7
130.05016	2.6
134.05916	0.3
136.07529	0.3
140.03424	11.2
140.06953	1.6
151.03841	0.7
153.06506	2.1
154.07373	2.9
162.05394	0.8
166.04913	1.5
180.06548	0.6
181.13358	7.0
182.08098	0.6
183.65434	0.4
195.06508	0.4
208.05992	0.7
208.09766	1.2
209.12836	100.0
211.07719	0.6
226.07379	2.6
226.10722	8.5
226.15503	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32182	4.6
55.05513	26.1
57.07076	33.6
58.06599	3.9
64.89134	3.9
67.05512	8.3
68.37852	4.1
69.07072	91.3
71.08622	11.8
79.05491	5.5
81.07045	28.5
83.08631	62.4
85.10191	7.1
86.06110	6.5
92.11190	5.1
93.07030	19.8
95.08607	23.6
97.06535	19.7
97.10172	49.1
99.15216	4.8
100.07602	19.2
101.07171	4.9
107.08603	21.0
109.10155	29.5
111.08107	16.2
111.11741	20.2
114.09192	7.8
121.10190	20.2
125.09599	8.4
125.13280	6.7
128.10728	8.0
135.11702	22.3
139.11183	5.5
140.37314	5.4
142.12250	5.1
149.13275	11.7
167.14301	9.1
184.20670	6.9
189.82289	5.8
191.17963	30.2
204.61690	6.3
209.19043	27.3
211.12332	27.4
220.45102	5.8
226.14569	23.3
226.18054	25.7
226.21620	100.0
238.10233	6.2
245.80544	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29846	5.0
50.44849	4.5
52.38190	4.6
54.12252	4.9
55.05512	31.2
57.07076	36.9
58.54645	4.5
67.05492	10.0
69.07068	100.0
71.08640	24.2
72.08161	6.1
76.83094	5.5
77.31546	5.7
78.26743	5.4
81.07051	22.3
83.08620	50.9
86.06056	6.8
93.07072	8.1
95.08610	27.1
97.06515	29.9
97.10147	52.8
100.07621	11.9
107.08635	20.6
108.32562	6.3
109.10139	13.7
111.08076	12.4
111.11716	31.7
114.09151	11.0
121.10138	35.3
121.86954	6.6
125.09667	8.5
135.11690	24.8
138.10249	6.8
149.13321	10.5
155.17764	5.7
155.96935	5.8
167.14264	11.3
191.17923	41.7
209.19028	35.8
211.12315	59.9
213.74777	5.7
226.14551	25.8
226.18164	14.5
226.21600	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	26.7
57.03457	2.6
57.07079	31.9
67.05500	13.2
69.07069	99.9
71.04980	4.2
71.08620	19.6
72.08166	4.8
79.05490	5.2
81.07053	20.2
83.05020	3.7
83.08619	58.7
85.06547	3.9
85.10172	5.5
86.06076	20.5
93.07043	19.0
95.08630	29.6
97.06509	21.4
97.10165	45.1
99.08077	5.5
100.07610	27.2
102.96864	33.7
107.08587	17.5
109.10155	17.0
111.08091	20.9
111.11703	25.3
114.09161	22.4
117.35979	2.6
120.97897	31.4
121.10113	23.9
123.11716	3.9
125.09618	11.6
125.13287	3.4
128.10666	6.7
135.11713	30.5
138.98946	16.7
139.11174	5.6
149.13284	12.2
153.12756	6.0
156.13809	4.1
162.00493	11.4
167.14253	4.0
184.20621	5.8
186.95216	3.3
191.17935	54.9
209.19060	28.3
211.12317	4.4
226.14369	6.8
226.18106	4.1
226.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.01871	3.9
61.74527	0.5
63.41959	0.5
65.03933	1.0
70.22710	0.5
73.02917	33.7
73.26119	0.5
82.04230	0.7
85.02894	0.7
86.09712	0.8
91.05515	0.6
92.20916	0.7
95.04966	3.2
104.77771	0.7
104.78703	0.7
106.93289	0.6
107.04947	0.8
109.34869	0.6
119.04916	0.6
121.06499	1.2
123.04447	5.9
125.05935	0.7
140.04681	42.2
142.02615	0.6
149.05984	0.9
149.10764	3.4
153.05460	2.3
155.07022	51.1
163.01840	0.9
163.12317	1.0
167.07024	6.9
167.08446	1.4
171.06511	3.4
173.08095	2.3
177.05411	0.7
179.07082	2.2
181.04944	100.0
181.08339	4.5
184.09924	3.5
191.11833	6.7
195.08124	1.3
198.32761	0.7
199.08653	4.2
209.08128	15.9
209.12849	1.0
210.03944	0.8
227.09033	12.1
227.10933	1.5
227.13939	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.43251	0.9
55.01884	2.3
62.86675	1.1
64.05571	1.1
67.05514	2.1
72.72187	1.1
73.02920	28.3
79.05527	1.6
81.07034	2.1
86.09706	2.4
91.89575	1.3
93.07067	1.8
93.13126	1.3
95.04966	7.9
95.08608	1.4
107.04951	1.3
121.06464	2.4
121.10195	2.0
123.04440	9.1
125.06039	1.9
127.03927	3.1
133.10158	2.2
135.08112	1.7
140.04681	37.5
140.93445	1.1
149.05952	1.7
153.05440	2.4
155.07025	39.1
163.01819	5.7
167.07040	6.3
179.06964	1.7
181.04955	100.0
181.08478	9.5
184.09918	12.7
209.00134	1.4
209.08060	23.1
209.15385	1.7
227.09314	19.1
227.17555	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.01879	0.4
57.89927	0.3
62.47461	0.3
73.87057	0.3
78.04729	0.5
79.05528	0.5
89.03892	0.4
91.05479	2.3
93.07040	2.4
95.04990	1.3
103.05471	4.9
105.07027	0.7
106.04157	0.5
107.04947	3.3
109.06514	0.5
117.03390	0.7
119.04922	0.5
121.06502	10.6
121.63574	0.3
123.04427	2.6
131.04929	5.7
133.02852	0.9
134.03566	0.5
135.04420	0.7
137.05981	8.2
140.04691	2.8
145.02808	0.6
148.05177	2.1
149.05984	14.9
152.04726	0.7
155.07014	0.7
159.04353	4.0
163.03896	0.5
167.07031	100.0
176.04623	0.7
177.05463	23.7
178.06300	0.5
180.07806	0.5
181.04907	0.6
181.08594	0.8
184.09998	3.2
184.77580	0.3
191.06982	0.8
194.05859	0.6
206.60136	0.7
209.08090	6.2
227.09154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
54.56932	0.4
55.01878	0.8
55.05518	3.2
57.03436	0.7
60.40933	0.3
67.05497	1.9
69.03429	2.8
69.07067	5.9
71.04967	0.6
71.80815	0.3
73.02913	0.5
73.06570	0.5
79.05497	5.2
81.03420	4.2
81.07054	2.0
83.04982	10.3
85.02903	1.7
85.06560	0.5
87.04518	0.4
88.10880	0.3
91.05463	2.1
93.07031	2.2
95.04969	3.7
95.08613	0.5
96.08132	27.7
97.02897	4.6
97.06510	2.0
99.04465	3.1
103.05482	0.5
105.07011	1.7
107.04963	1.9
109.02867	0.9
109.06512	2.3
111.04457	5.7
113.05997	0.9
113.10773	7.2
114.09163	25.0
115.07575	0.6
117.06992	1.6
119.04910	0.5
121.06503	2.3
123.04411	1.6
123.08090	0.6
125.05968	0.4
127.03907	2.2
131.04933	0.7
133.06483	0.7
135.08047	1.0
137.06007	2.7
140.97569	0.4
145.06496	0.8
149.05966	2.5
151.07567	0.4
153.05492	0.6
158.93756	0.4
161.05879	0.5
163.07515	2.3
167.05310	2.2
167.07028	6.8
168.14336	0.4
173.20100	0.4
177.05435	1.9
179.07016	1.8
181.02927	0.4
181.08499	0.4
184.09944	2.3
191.07050	2.0
194.05725	0.6
197.08070	0.5
209.06366	0.4
209.08109	2.5
209.16495	19.8
227.07106	0.8
227.09137	2.9
227.17529	100.0
239.15112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
52.68702	0.4
70.06579	2.6
82.35093	0.6
84.04483	4.1
91.05494	2.5
93.07043	3.2
95.04998	0.8
103.05473	3.8
107.04948	3.8
109.44950	0.5
116.07063	5.3
121.06489	12.3
123.04427	1.1
131.04948	5.5
133.02870	0.9
134.03561	0.6
135.80110	0.6
137.05984	7.7
140.04694	1.1
141.10217	2.5
145.02820	0.8
148.05208	1.0
149.05974	16.1
155.07045	1.3
159.04396	5.7
159.14526	0.6
163.03755	0.6
164.07069	0.6
167.07016	100.0
176.04724	0.8
177.05455	27.3
181.09726	0.8
184.09941	0.9
191.07097	0.6
194.05724	1.1
195.06470	0.8
197.32390	0.6
201.60583	0.5
209.08022	7.2
227.10486	1.1
227.13829	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92971	0.4
70.06603	0.9
72.04517	0.6
75.83368	0.5
76.34335	0.5
78.07898	0.5
79.05497	0.6
79.68745	0.6
81.07047	0.6
84.04507	0.7
87.04475	1.1
91.05489	3.0
93.07047	2.6
95.04974	2.2
95.08599	0.5
103.05470	3.9
107.04977	1.4
112.03960	2.3
115.50669	0.6
116.07110	1.1
117.03368	0.7
117.05691	0.5
121.06509	9.7
123.04435	2.4
124.05190	0.9
131.04933	7.0
135.04404	1.0
137.05988	8.4
140.04688	3.2
141.10208	0.7
145.02898	0.7
147.04414	0.8
148.05212	1.1
148.73709	0.6
149.05984	19.3
152.04703	0.7
155.07004	1.2
158.29305	0.5
159.04378	4.2
160.61864	0.5
163.01721	0.7
164.07114	0.9
165.05463	0.7
166.08649	0.8
167.07036	100.0
170.08194	1.1
176.04646	1.0
177.05464	25.3
181.08522	0.6
184.09944	3.9
194.05734	1.0
203.99213	0.5
209.08124	5.1
210.04024	0.7
210.07660	2.4
227.06813	1.0
227.13873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1025
Annotation	carbidopa
Peak:m/z	Relative Intensity
55.30668	0.5
56.05032	1.1
56.34158	0.5
56.43724	0.4
59.05479	0.5
64.82596	0.5
69.07061	0.5
70.06596	46.7
73.02914	0.6
83.05019	0.6
84.04509	74.7
84.08170	0.8
87.04462	3.3
93.07034	0.7
99.04455	0.6
103.05476	0.8
107.04902	0.7
112.04008	0.6
116.07095	100.0
121.06515	3.3
124.07588	2.3
137.06015	0.6
141.06581	3.4
142.04985	1.0
149.05994	3.7
152.06960	0.8
159.04477	0.9
163.01820	2.1
164.07071	1.2
167.07037	19.7
167.08359	1.2
168.06500	0.6
177.05524	4.3
181.02914	1.1
181.09724	10.8
181.20755	0.6
184.09937	6.0
191.17857	0.6
206.97464	0.5
209.09291	8.2
210.07632	0.9
227.10275	30.8
227.13794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01873	16.7
55.05518	3.8
57.75932	2.5
65.31741	2.5
67.05512	34.9
68.86818	2.5
69.07044	5.4
71.05004	4.7
79.05499	13.3
81.07068	15.9
83.04978	56.7
83.08630	6.4
83.10976	2.5
85.02902	4.0
85.06551	3.8
91.05482	5.5
92.21636	2.6
93.07044	26.4
95.04933	11.0
95.08598	13.6
97.06524	14.8
99.04459	13.6
105.07069	5.2
107.04967	6.5
107.08595	29.4
109.06557	3.5
109.10147	19.1
111.04446	100.0
111.08083	36.8
111.69786	2.6
119.08566	6.2
121.06485	3.3
121.10159	18.1
125.05999	4.3
131.08591	4.2
135.08046	3.3
135.11674	40.6
145.10065	20.7
149.09578	3.8
153.09134	2.9
153.12729	76.2
157.10182	3.5
163.11168	54.0
167.07100	4.5
169.08601	6.5
173.09563	6.1
181.12215	61.4
184.10017	4.4
191.10649	26.5
197.30583	3.1
209.11670	5.9
227.10693	7.0
227.12767	32.2
227.17892	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.32182	1.3
55.01869	6.0
55.05515	13.4
55.13968	1.3
57.03439	2.4
57.07088	1.8
58.25971	1.6
61.23264	1.5
67.05512	17.2
69.07055	7.6
71.04995	3.1
75.26194	1.5
79.05502	23.4
80.36233	1.6
81.03417	2.2
81.07066	26.2
83.04980	2.8
83.08624	15.6
85.06505	2.1
91.05444	5.8
93.07047	38.8
95.04961	7.3
95.08611	54.7
97.02901	2.3
97.06533	2.8
97.10172	6.7
99.04421	8.6
105.07047	13.0
107.04934	8.8
107.08598	37.1
109.06538	2.4
109.10196	3.6
111.04459	3.0
111.08076	2.0
117.07005	7.2
119.08585	17.2
121.06487	8.7
121.10158	20.7
123.97665	1.8
125.06010	4.0
125.09618	6.7
129.07025	2.0
133.10098	9.1
135.08086	3.6
135.11705	71.0
139.07523	1.9
143.08528	3.9
145.10139	48.8
157.10117	11.7
163.11179	92.4
167.06990	8.3
171.11702	14.3
181.02885	2.7
181.10895	1.6
181.12241	19.4
183.11662	2.4
184.09988	13.3
184.12375	1.9
185.13272	12.2
187.80183	1.5
189.11255	2.6
199.14775	2.0
227.07024	2.3
227.10486	3.3
227.12724	100.0
227.17920	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Stagonolide
Peak:m/z	Relative Intensity
52.45108	0.9
55.01867	2.4
55.05515	23.3
57.03449	1.5
64.61355	1.1
67.05510	16.3
68.99185	1.1
69.03429	2.2
69.07056	5.3
74.58829	1.2
79.05495	12.3
79.95891	1.1
81.07052	11.1
83.04967	1.3
83.08613	12.4
93.07054	2.7
97.10170	46.9
107.08598	19.0
109.10162	6.4
117.07030	1.9
125.09626	47.0
135.08055	5.9
143.10719	1.7
153.09137	2.5
171.10153	7.3
184.09982	17.8
189.11218	24.4
227.12770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.1
55.93160	3.1
56.30766	2.7
56.93890	3.1
64.34903	3.3
67.05520	7.4
68.39040	3.6
69.07056	6.5
79.05501	15.1
81.07031	12.8
83.04992	5.4
83.08621	4.6
83.65842	3.8
91.05473	7.6
93.07034	7.4
95.04961	5.9
97.10159	22.8
105.07037	20.0
107.08612	18.9
109.10179	5.8
117.06999	6.4
119.08580	22.6
121.06516	8.3
125.09621	24.7
129.07013	22.5
131.08574	34.0
135.08072	7.3
141.07063	4.2
142.07777	8.2
143.08575	32.3
144.09352	21.0
145.10117	24.3
155.08528	5.5
157.10139	45.5
169.10100	6.3
170.10933	8.8
171.11693	18.4
179.08543	18.7
181.10110	3.7
183.11639	7.9
184.09972	100.0
185.09587	15.8
189.11250	5.5
191.26126	3.8
194.10887	17.9
197.09631	5.0
199.14841	7.5
209.13261	14.8
213.42136	4.0
227.12677	25.2
227.14532	61.2
227.17766	37.7
229.91165	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05516	3.2
57.03437	3.3
57.07074	1.6
59.05006	1.5
67.05495	3.2
69.03460	4.1
69.07069	5.7
71.04996	16.2
73.57130	1.3
79.05493	3.4
81.03421	2.1
81.07063	14.6
83.04984	2.9
83.08630	3.4
85.02917	2.0
85.06536	8.6
87.04462	1.6
91.05490	5.2
93.07050	14.4
95.04968	100.0
95.08611	12.9
97.06547	18.7
97.10180	6.3
99.04448	16.7
99.08090	25.5
105.07047	10.3
107.08596	15.9
109.06504	19.0
109.10175	11.8
111.08063	6.8
115.07493	1.5
117.07009	1.7
119.08576	7.0
121.06440	1.9
121.10131	19.2
123.08087	6.9
123.11706	12.2
125.09629	23.6
127.07565	8.3
131.08559	6.2
133.10123	24.9
135.08064	6.0
135.11700	6.2
137.09688	1.4
137.37354	1.5
139.03966	1.8
139.11176	8.5
143.10680	6.6
145.10143	3.3
147.11696	13.4
149.09584	12.4
149.13246	8.1
151.11166	6.3
153.09099	33.1
155.06998	1.5
163.11134	2.5
163.14815	3.1
165.12656	1.7
167.07025	10.0
167.10667	10.2
171.10207	17.5
171.11540	2.6
173.13229	17.6
181.04939	3.3
184.09946	10.5
188.86780	1.6
191.10718	3.4
191.14313	10.6
199.08678	7.3
209.08087	2.7
209.15375	21.0
227.08978	3.5
227.12807	1.7
227.16400	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.44164	0.5
55.05505	0.6
64.79236	0.7
69.07060	4.7
69.14956	0.5
72.56977	0.6
73.02925	1.5
79.05508	4.3
86.04428	0.6
86.09697	1.0
90.41323	0.6
94.19093	0.6
96.08131	28.6
97.06528	0.9
113.10794	5.2
114.09165	21.0
115.07558	1.4
117.16589	0.6
140.04651	1.4
149.05936	0.7
155.07025	3.3
158.06122	0.7
163.01875	0.7
167.05431	1.6
167.07013	7.4
177.05481	2.9
181.02951	0.9
181.04944	5.3
184.09958	3.6
209.08009	0.9
209.16489	17.6
212.04562	0.6
227.07040	2.4
227.17526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44164	0.5
55.05505	0.6
64.79236	0.7
69.07060	4.7
69.14956	0.5
72.56977	0.6
73.02925	1.5
79.05508	4.3
86.04428	0.6
86.09697	1.0
90.41323	0.6
94.19093	0.6
96.08131	28.6
97.06528	0.9
113.10794	5.2
114.09165	21.0
115.07558	1.4
117.16589	0.6
140.04651	1.4
149.05936	0.7
155.07025	3.3
158.06122	0.7
163.01875	0.7
167.05431	1.6
167.07013	7.4
177.05481	2.9
181.02951	0.9
181.04944	5.3
184.09958	3.6
209.08009	0.9
209.16489	17.6
212.04562	0.6
227.07040	2.4
227.17526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49001	3.1
56.96563	23.4
61.02944	14.0
69.03431	7.4
70.65547	3.6
73.02937	29.7
79.55912	3.3
81.03418	5.6
84.01610	3.6
85.02898	22.5
87.04456	6.0
90.71143	4.3
91.03966	4.7
97.02892	39.1
98.97568	6.2
99.04454	6.8
101.00852	3.8
105.02075	8.7
110.58217	3.3
110.97561	3.8
111.04330	4.1
112.99117	6.4
116.98587	6.1
118.02835	14.2
119.01869	21.1
120.02546	6.9
128.02353	4.0
128.98624	5.7
130.57376	3.6
131.00159	23.7
137.77238	3.9
139.03838	3.8
141.03101	24.6
142.04985	4.7
147.03127	19.0
149.01236	48.1
150.03601	23.7
156.03606	100.0
158.99734	7.4
165.04172	4.3
167.02263	6.0
168.10306	5.5
171.80208	3.9
177.00662	4.7
180.06570	4.3
182.03319	7.7
182.09355	4.8
185.10339	6.1
187.02858	8.1
187.04468	13.8
191.02271	9.4
203.02254	5.1
205.03740	7.3
205.05479	5.6
210.11292	4.9
228.05563	40.4
228.08670	4.9
228.12234	36.1
237.06270	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01862	0.4
55.05518	0.5
58.26915	0.4
58.41337	0.4
60.53551	0.4
65.42960	0.5
66.50269	0.4
67.13346	0.5
68.05032	0.9
70.06593	100.0
71.04990	0.7
75.43812	0.5
81.03419	6.2
86.06119	0.5
87.04469	33.8
97.06519	0.7
99.04457	32.8
110.06054	0.6
112.07574	0.8
114.05499	2.5
115.43013	0.6
122.06017	0.5
130.08638	78.7
136.07549	0.7
142.04996	43.9
154.08635	6.4
164.10762	1.0
167.07050	1.1
168.07372	2.8
174.09171	0.8
178.05766	0.7
182.08171	0.8
182.11769	1.0
185.10228	0.7
192.10262	0.7
210.07645	0.6
210.11235	3.3
228.08650	40.7
228.12192	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53661	0.5
56.01435	0.5
68.08605	0.5
70.06596	100.0
84.04503	0.8
87.04467	3.6
99.04459	0.9
112.07594	0.9
124.03924	3.3
124.04737	0.5
130.08615	0.6
137.59109	0.5
142.04987	2.9
154.08667	0.6
164.07100	0.7
166.04909	0.7
167.07053	1.1
168.07417	4.1
176.46284	0.5
178.05812	1.2
182.08018	0.9
186.23363	0.6
196.09619	0.8
228.08925	6.2
228.12296	52.2
228.23076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27320	0.2
70.06604	0.3
71.60842	0.2
71.81157	0.2
71.90125	0.2
74.06387	0.2
79.05481	0.4
86.06046	0.3
87.04478	3.5
91.05489	2.8
93.07042	5.5
95.04967	1.6
103.05489	2.6
105.07028	3.2
108.08124	35.6
121.06506	100.0
124.07598	0.5
142.04974	3.3
145.67073	0.3
182.11815	0.4
185.74126	0.3
210.12459	0.3
216.34669	0.3
228.08533	3.2
228.10384	0.7
228.13864	21.2
228.15741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47901	0.4
69.96929	0.4
73.02905	2.0
74.03292	0.4
77.32402	0.5
83.56516	0.4
86.09748	0.6
87.04455	2.2
87.41397	0.4
91.05459	2.3
93.07033	6.4
95.04986	0.6
103.05465	2.4
105.07005	0.9
108.08118	42.8
121.06499	100.0
126.55296	0.5
140.04706	0.5
141.05028	2.1
142.05019	3.6
156.07370	2.7
164.44460	0.4
181.04941	0.6
182.05269	5.5
185.10263	0.6
199.94968	0.4
210.08389	0.8
228.06679	0.6
228.08839	2.3
228.13850	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1382
Annotation	lycorenan
Peak:m/z	Relative Intensity
66.47901	0.4
69.96929	0.4
73.02905	2.0
74.03292	0.4
77.32402	0.5
83.56516	0.4
86.09748	0.6
87.04455	2.2
87.41397	0.4
91.05459	2.3
93.07033	6.4
95.04986	0.6
103.05465	2.4
105.07005	0.9
108.08118	42.8
121.06499	100.0
126.55296	0.5
140.04706	0.5
141.05028	2.1
142.05019	3.6
156.07370	2.7
164.44460	0.4
181.04941	0.6
182.05269	5.5
185.10263	0.6
199.94968	0.4
210.08389	0.8
228.06679	0.6
228.08839	2.3
228.13850	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20406	0.4
54.02446	0.5
55.05288	0.9
55.05518	18.4
57.03424	0.8
57.07073	5.2
57.96300	0.5
60.04530	10.6
63.94299	0.4
65.03947	0.5
67.05507	38.4
67.60968	0.4
69.07070	19.2
71.04973	3.2
71.08615	2.8
73.99155	0.5
78.91032	0.5
79.05477	3.8
81.07057	41.9
83.04980	1.1
83.08620	34.8
85.06540	6.0
91.05469	4.8
93.07046	10.6
95.04955	0.7
95.08604	100.0
97.06512	5.7
97.10160	20.4
99.08077	3.0
100.07613	0.7
105.07042	3.8
107.08586	6.5
109.10155	53.5
111.08092	7.1
111.11692	3.1
113.09628	1.0
115.07599	1.8
119.08573	10.1
121.10146	4.3
123.08044	3.0
123.11685	7.0
125.09591	2.4
127.07531	0.6
129.09114	1.2
133.10117	12.8
135.11641	4.0
135.89780	0.6
137.09599	4.9
141.09114	2.5
147.11679	6.2
149.13260	4.7
151.11134	2.4
151.14824	6.9
155.10674	0.7
155.57498	0.5
165.16330	2.1
175.13274	1.2
175.14810	36.0
185.10240	2.7
193.15868	16.6
210.14897	2.1
210.18483	3.2
211.16878	5.4
228.15932	0.9
228.19696	9.7
228.23184	27.4
229.17929	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11598	1.1
52.39955	0.9
55.05519	20.7
56.08032	1.1
57.03438	1.9
57.07079	3.0
67.05512	40.3
69.07069	22.2
71.04990	2.5
79.05499	5.2
81.07063	43.9
83.08625	35.6
85.06557	2.8
91.05493	2.8
93.07044	10.8
95.08611	100.0
97.06509	4.8
97.10171	19.3
99.08069	1.7
99.95490	1.1
102.19616	1.1
102.76069	1.0
105.07040	3.0
105.31671	1.1
107.08599	6.0
109.10156	56.8
111.08076	5.6
111.11723	1.7
115.07585	1.5
119.08578	9.3
121.10114	2.1
123.08098	2.5
123.11673	6.7
133.10121	16.5
135.11688	4.6
137.09589	6.0
147.11717	5.1
149.13271	4.9
151.11140	1.5
151.14819	8.0
175.14816	42.0
175.16289	2.6
183.17514	1.4
193.15855	15.2
210.18602	1.5
211.16928	6.7
228.19640	8.7
228.26862	10.0
229.17955	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17783	0.4
55.05509	0.9
57.07082	7.1
67.05504	0.6
69.07047	0.7
70.91711	0.5
71.08621	2.5
74.06081	4.1
81.07055	0.9
83.08596	0.7
85.10160	1.1
88.07126	0.8
88.07632	15.7
95.08610	0.6
97.10176	0.7
102.09200	10.6
109.10141	0.8
116.10709	3.6
172.74336	0.5
175.60327	0.6
184.60989	1.1
185.10278	1.1
228.23216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2321
Annotation	Halaminol C
Peak:m/z	Relative Intensity
50.91961	0.8
52.34085	0.8
55.05494	1.0
57.07084	7.8
61.72041	0.9
69.07059	1.2
71.08630	1.8
74.06070	1.9
74.91873	0.9
78.18213	1.0
81.07047	1.4
83.08620	1.6
88.07624	16.7
92.21490	1.2
95.08602	4.0
97.10127	1.4
102.09178	8.3
107.08614	1.0
109.10147	1.5
116.10739	3.8
143.57886	1.1
175.14816	2.0
185.10254	5.0
193.15962	1.0
228.23221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0859
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
54.88115	0.9
56.14090	0.9
57.07077	0.9
60.77623	1.1
67.05514	12.1
69.03394	1.2
69.07056	1.1
70.06580	1.1
78.05772	1.1
81.07066	4.8
95.04981	5.7
95.08629	2.1
99.04449	1.7
99.14913	1.1
105.03396	50.8
105.07030	7.7
107.08568	2.3
109.10162	11.7
119.08587	4.4
121.10101	1.7
131.08519	2.1
133.10139	1.4
145.10129	7.9
146.91779	1.4
147.11713	1.8
151.03908	100.0
159.11696	2.2
171.11659	2.7
173.11752	1.5
183.11617	2.2
185.13306	2.2
211.14899	2.6
229.08591	55.6
229.12260	4.9
229.14050	2.3
229.14813	2.3
229.16086	11.5
229.19583	7.4
238.23361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0859
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
55.05518	0.8
56.68175	0.6
57.03445	0.9
61.31411	0.7
61.36183	0.8
67.05508	6.2
68.99773	0.8
78.01353	1.0
81.07044	1.6
86.01942	0.7
91.05524	0.9
95.08624	1.0
103.05473	1.5
109.10153	8.1
118.79097	0.7
119.08598	1.1
129.06978	1.3
131.04927	35.1
131.08604	1.0
141.07004	14.3
145.10143	1.2
146.91846	1.0
152.06255	1.9
153.07063	1.1
155.04883	1.6
155.08604	1.3
168.05699	3.0
169.06503	8.4
173.09610	3.8
173.11661	0.8
173.75607	0.9
179.04852	3.3
183.08034	7.3
186.06761	10.6
197.06032	1.8
201.01878	0.9
201.09105	27.5
211.07532	4.4
229.08597	100.0
229.12260	3.9
229.14264	3.0
229.16107	2.2
229.19577	1.1
229.23476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0971
Annotation	Isoaaptamine
Peak:m/z	Relative Intensity
62.30471	0.7
65.27248	0.8
68.05019	0.8
69.03426	3.8
69.07083	1.2
70.06593	12.5
79.05475	0.9
81.03445	1.3
85.02895	1.1
85.06567	1.6
86.09715	35.4
87.04459	1.5
93.07014	1.0
95.04974	1.4
97.02881	3.7
99.04433	1.3
101.49751	0.9
109.02982	1.0
116.07104	44.5
118.06574	8.5
129.06985	6.4
134.65860	1.0
144.08101	12.2
146.06006	19.2
156.08093	93.7
166.06523	1.0
168.08087	43.2
169.07581	5.1
170.05984	2.0
170.08400	1.3
183.09184	65.7
184.07475	0.9
185.10762	6.8
188.07106	15.8
216.17751	0.8
229.09720	100.0
229.15512	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
53.35199	2.3
55.01881	12.5
55.05517	12.3
56.91309	2.5
57.03434	12.3
57.07080	4.3
61.02921	3.4
67.05504	21.4
69.03434	100.0
69.07069	5.6
71.01359	4.0
71.04982	9.6
73.02917	12.4
75.77481	3.0
79.05495	15.3
79.61732	3.0
80.37985	2.9
81.03424	62.2
81.07063	19.4
83.04996	28.8
85.02902	21.3
85.06551	21.4
91.05463	11.4
93.07036	32.4
95.01322	3.2
95.04956	52.9
95.08596	22.0
97.02886	25.4
97.06516	24.8
99.04439	25.5
101.02357	5.0
103.03959	6.4
105.07035	12.2
107.04951	4.0
107.08605	15.3
109.02886	3.6
109.06533	34.9
111.04447	20.5
111.08066	16.2
113.05988	42.2
115.07609	9.9
117.07047	6.6
119.08581	13.8
121.06500	17.9
121.53970	2.7
123.04426	14.5
123.08045	15.8
124.56772	2.9
125.06013	4.5
127.03886	6.4
129.05484	6.2
133.06502	14.6
135.08032	11.2
137.09657	3.1
139.07518	27.2
141.05495	3.0
141.09103	4.1
147.08054	15.8
151.07532	32.4
156.60255	3.1
163.07530	13.2
165.09087	12.5
167.06999	4.2
169.08653	3.1
181.08589	18.2
193.08559	12.7
203.14647	3.2
211.09648	15.1
229.10713	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03943	2.8
53.35199	2.3
55.01881	12.5
55.05517	12.3
56.91309	2.5
57.03434	12.3
57.07080	4.3
61.02921	3.4
67.05504	21.4
69.03434	100.0
69.07069	5.6
71.01359	4.0
71.04982	9.6
73.02917	12.4
75.77481	3.0
79.05495	15.3
79.61732	3.0
80.37985	2.9
81.03424	62.2
81.07063	19.4
83.04996	28.8
85.02902	21.3
85.06551	21.4
91.05463	11.4
93.07036	32.4
95.01322	3.2
95.04956	52.9
95.08596	22.0
97.02886	25.4
97.06516	24.8
99.04439	25.5
101.02357	5.0
103.03959	6.4
105.07035	12.2
107.04951	4.0
107.08605	15.3
109.02886	3.6
109.06533	34.9
111.04447	20.5
111.08066	16.2
113.05988	42.2
115.07609	9.9
117.07047	6.6
119.08581	13.8
121.06500	17.9
121.53970	2.7
123.04426	14.5
123.08045	15.8
124.56772	2.9
125.06013	4.5
127.03886	6.4
129.05484	6.2
133.06502	14.6
135.08032	11.2
137.09657	3.1
139.07518	27.2
141.05495	3.0
141.09103	4.1
147.08054	15.8
151.07532	32.4
156.60255	3.1
163.07530	13.2
165.09087	12.5
167.06999	4.2
169.08653	3.1
181.08589	18.2
193.08559	12.7
203.14647	3.2
211.09648	15.1
229.10713	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Loganetin
Peak:m/z	Relative Intensity
50.64314	3.6
53.03928	4.3
55.01862	10.6
55.05519	18.4
57.03438	11.7
60.08963	3.8
63.76654	4.9
67.05506	25.8
69.03436	100.0
69.07059	8.2
70.38401	4.9
71.01348	6.1
71.04987	7.5
73.02920	9.1
79.05500	18.6
81.03426	86.1
81.07071	30.1
83.04985	44.0
83.08638	4.7
85.02919	39.3
85.06530	27.8
87.04473	4.2
87.15739	4.2
89.19163	4.2
91.05478	11.1
91.90008	4.2
92.21012	6.2
93.07054	43.2
95.04983	45.7
95.08599	23.0
97.02890	28.4
97.06519	26.4
99.04479	36.0
101.02391	20.7
103.03945	6.6
105.07011	19.6
107.04916	7.2
107.08584	11.6
109.02838	5.6
109.06528	47.2
110.99775	4.4
111.04436	30.6
111.08065	19.7
113.06017	51.0
115.07584	6.0
117.07040	8.9
119.08568	11.0
119.97076	4.5
121.06496	24.8
123.04405	33.6
123.08054	31.4
127.03925	25.0
129.05479	8.5
133.06505	11.0
135.08049	18.5
139.07545	32.2
145.06491	6.4
147.08028	20.8
151.07573	39.9
163.07515	9.7
165.09009	7.3
175.07492	6.3
181.08597	10.1
193.08633	9.9
211.09663	18.8
229.10638	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62621	3.8
54.86425	3.6
55.01878	22.9
55.05516	10.3
57.03440	10.2
61.02929	5.0
66.13692	3.8
67.05500	27.9
69.03433	100.0
69.07072	16.9
71.01363	4.4
71.04992	26.5
73.02915	19.6
79.05500	10.7
81.03431	65.3
81.07055	29.4
83.04984	44.5
85.02914	31.4
85.06541	28.3
87.04497	4.9
91.05476	16.2
93.07050	30.6
95.04977	70.3
95.08607	28.6
97.02859	16.5
97.06525	30.0
99.04452	29.9
101.02406	7.9
105.07031	27.4
107.08599	58.9
109.02837	4.9
109.06525	35.1
109.10152	9.1
111.04445	40.1
111.08083	16.4
113.05997	37.3
115.07539	5.3
117.07006	5.7
119.08578	25.3
121.06509	20.2
121.10140	8.6
123.04411	10.8
123.08011	18.6
123.11683	4.2
123.58891	4.5
125.09651	6.7
127.03925	20.9
133.06499	6.2
133.10138	5.5
135.08049	9.9
137.09560	5.9
139.07509	17.7
141.05457	5.4
141.09178	7.8
147.08070	9.7
151.07535	30.6
153.12791	5.2
163.07559	7.6
165.09062	10.8
165.60258	4.5
169.08597	4.7
175.14804	8.8
181.08540	6.5
193.08580	7.7
193.15942	7.0
211.09671	20.1
229.10635	29.8
229.18068	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.107
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03948	5.9
53.69219	2.7
55.01878	6.5
55.05518	34.3
57.03439	32.6
57.07080	3.6
61.02921	7.4
64.22380	2.6
67.05508	23.6
69.03432	100.0
69.07048	21.2
70.06596	29.3
71.01341	4.2
71.04988	19.9
73.02907	14.7
74.64702	2.5
79.05485	7.7
81.03423	61.2
81.07076	21.8
83.04984	32.5
85.02917	45.2
85.06547	35.3
86.09702	27.9
87.04468	10.8
88.04787	5.4
91.05479	22.3
91.15095	2.9
93.07067	43.4
93.07601	5.1
93.51077	2.7
95.04973	39.2
95.08593	14.5
97.02884	51.0
97.06525	37.5
99.04469	26.0
101.02417	4.1
103.03916	4.0
105.07017	11.9
107.04938	6.2
107.08600	6.7
109.02878	19.5
109.06522	45.7
111.04449	26.9
111.08083	18.1
113.06047	4.0
115.07604	10.3
116.07078	22.3
117.07005	5.4
119.08552	22.2
121.06477	19.8
123.04442	17.1
123.08064	14.6
125.05988	6.8
127.03894	37.6
129.05484	21.1
135.08063	7.2
137.09596	5.9
139.07524	4.1
141.09097	4.3
142.04990	4.8
143.05359	6.0
145.04919	3.1
145.96680	7.1
147.08008	12.3
151.07556	7.1
157.06499	3.7
163.07506	15.7
163.97688	6.0
165.09058	11.0
167.07024	6.6
175.07603	3.5
181.08577	15.1
183.08116	3.5
187.97722	5.2
193.08607	6.2
205.98758	22.2
211.09485	8.2
229.08838	14.0
229.10791	42.7
229.15433	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62621	3.8
54.86425	3.6
55.01878	22.9
55.05516	10.3
57.03440	10.2
61.02929	5.0
66.13692	3.8
67.05500	27.9
69.03433	100.0
69.07072	16.9
71.01363	4.4
71.04992	26.5
73.02915	19.6
79.05500	10.7
81.03431	65.3
81.07055	29.4
83.04984	44.5
85.02914	31.4
85.06541	28.3
87.04497	4.9
91.05476	16.2
93.07050	30.6
95.04977	70.3
95.08607	28.6
97.02859	16.5
97.06525	30.0
99.04452	29.9
101.02406	7.9
105.07031	27.4
107.08599	58.9
109.02837	4.9
109.06525	35.1
109.10152	9.1
111.04445	40.1
111.08083	16.4
113.05997	37.3
115.07539	5.3
117.07006	5.7
119.08578	25.3
121.06509	20.2
121.10140	8.6
123.04411	10.8
123.08011	18.6
123.11683	4.2
123.58891	4.5
125.09651	6.7
127.03925	20.9
133.06499	6.2
133.10138	5.5
135.08049	9.9
137.09560	5.9
139.07509	17.7
141.05457	5.4
141.09178	7.8
147.08070	9.7
151.07535	30.6
153.12791	5.2
163.07559	7.6
165.09062	10.8
165.60258	4.5
169.08597	4.7
175.14804	8.8
181.08540	6.5
193.08580	7.7
193.15942	7.0
211.09671	20.1
229.10635	29.8
229.18068	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01867	5.8
55.05505	5.0
57.03440	7.5
59.05007	1.3
67.05508	43.3
68.51841	0.8
69.07074	9.0
70.06585	1.4
71.04977	1.5
79.05487	6.3
81.07062	42.3
83.04967	3.4
83.08628	6.0
85.06524	3.8
91.05478	17.9
93.07040	8.6
95.04957	3.7
95.08613	8.2
97.06523	11.2
97.10204	0.9
99.08051	3.6
105.07035	23.4
107.08595	8.1
109.06522	6.9
109.10155	41.4
110.40605	0.8
111.08088	1.6
113.05992	2.1
119.08570	21.3
121.10140	17.3
123.08080	1.0
123.11694	27.9
126.58433	0.8
127.07544	2.1
129.06982	5.1
131.08575	3.4
133.10115	6.9
137.13266	1.4
146.91808	1.7
147.11687	99.2
149.09641	3.8
155.10661	3.0
157.08954	1.5
157.10127	23.9
165.12749	42.2
173.11729	9.9
175.11194	24.3
183.13855	0.8
185.61723	1.0
188.84354	0.8
193.12294	9.7
211.13293	3.9
229.14326	100.0
229.19284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
57.03444	20.4
57.07083	1.5
58.12765	0.9
59.04996	6.7
63.56815	0.8
67.05513	83.7
69.07061	4.3
71.04983	3.9
79.05478	1.0
81.07068	15.1
83.08615	11.6
83.94735	0.9
85.06533	5.0
86.97779	0.8
91.05469	4.5
93.07043	5.4
93.91509	0.8
95.08614	9.3
96.08940	1.0
103.01503	0.8
103.03931	1.2
107.08618	1.1
109.10163	100.0
111.08056	6.5
115.96412	0.9
119.08582	8.8
121.10149	0.9
131.08589	1.0
137.09618	4.0
139.11195	1.0
144.79976	0.9
155.10709	7.0
173.11716	23.9
185.13622	1.1
185.61729	2.2
205.98743	0.9
229.12120	1.9
229.14368	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34935	0.5
55.05513	5.7
57.03442	16.7
59.05008	5.7
65.86234	0.6
67.05509	82.0
69.07052	1.4
71.04984	3.4
72.05820	0.6
81.07059	11.3
83.08630	9.2
85.06538	4.6
91.05462	4.1
93.07032	3.2
95.08603	4.3
107.08595	1.1
109.10156	100.0
111.08057	4.7
113.06065	0.8
119.08569	8.2
122.90727	0.7
130.24669	0.8
137.09628	4.2
146.91827	0.8
155.10677	10.0
173.11725	23.4
212.75877	0.7
223.25522	0.7
229.14334	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.28640	0.6
52.54290	0.7
55.05503	5.1
57.03447	15.9
57.58138	0.7
59.05008	5.6
60.49304	0.8
67.05511	83.4
67.48542	0.7
69.07047	1.1
71.04980	3.3
81.07066	10.6
83.08602	7.5
85.06521	4.0
85.16119	0.7
91.05475	5.5
92.21771	0.8
93.07025	3.2
95.08581	5.2
107.08585	1.5
109.10159	100.0
111.08041	3.5
119.08606	6.4
137.09583	3.9
146.91766	1.4
155.10712	9.5
173.11749	24.6
194.40968	0.7
229.14301	38.7
229.19325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97015	1.2
55.05510	4.9
55.98714	1.1
57.03444	17.3
59.05004	5.3
67.05510	87.3
71.05006	2.0
72.52572	1.2
72.69778	1.2
75.49902	1.3
76.64101	1.1
81.07062	7.9
81.62595	1.2
83.08629	6.1
85.06548	2.3
91.05466	5.6
93.07034	3.0
95.08610	6.1
99.02667	1.3
103.03914	2.0
109.10156	100.0
119.08575	6.3
137.09641	2.6
155.10690	6.5
173.11714	20.2
229.14325	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01874	3.5
55.05518	7.8
57.03435	3.4
60.45347	1.5
67.05516	27.0
69.03441	3.5
69.07066	12.0
71.04992	3.3
71.05611	1.8
79.05489	9.9
81.03392	2.4
81.06618	2.9
81.07068	51.5
83.04994	7.4
83.08620	9.1
83.66349	1.8
85.02898	3.0
85.06551	3.3
91.05486	22.5
92.40571	1.9
93.07031	13.0
95.04976	4.7
95.08582	4.8
97.06532	11.7
99.08111	2.2
105.07022	30.3
107.08595	14.7
109.06525	9.5
109.10143	21.5
113.06012	1.9
119.08588	28.6
119.56570	1.9
121.10130	22.7
123.11710	29.4
129.07001	8.8
131.08546	9.1
133.10110	14.4
141.06955	2.3
143.08597	3.8
145.10133	12.8
147.07986	2.0
147.11684	100.0
149.09639	2.6
155.08458	3.0
157.10129	28.1
159.11716	2.6
165.12743	39.1
169.10139	3.0
173.09509	2.0
173.11847	2.4
175.11179	27.5
183.11688	3.8
185.13281	7.5
193.12236	10.6
197.20012	2.3
211.13107	2.4
211.14839	8.0
229.08662	3.6
229.12308	6.4
229.14325	72.7
229.15932	13.0
229.19485	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.39220	0.8
55.05515	4.6
57.03441	18.1
59.05003	5.3
62.37713	1.0
67.05508	88.0
69.07040	1.1
71.04986	2.1
79.05500	1.3
81.07057	10.9
83.08611	8.8
85.06548	2.2
91.05481	6.3
93.07037	2.5
95.08608	5.5
107.08546	1.3
109.10156	100.0
111.08034	2.0
119.08578	7.6
137.09613	2.5
155.10629	8.9
173.11731	20.0
197.41620	1.0
229.08568	4.3
229.14285	43.4
229.19637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Pro Leu
Peak:m/z	Relative Intensity
55.01868	0.5
67.05527	0.4
69.03407	0.5
69.07079	0.7
70.06580	0.9
79.05515	0.6
81.07038	0.6
83.04990	0.6
93.07033	1.1
95.04980	0.5
95.08599	3.0
108.08130	0.7
109.08466	1.1
111.04469	0.7
116.72906	0.5
118.41596	0.4
121.06516	2.5
121.10139	2.7
122.06832	2.0
122.09638	0.5
140.10699	4.5
149.09607	1.0
150.09174	0.5
158.11763	10.0
165.05566	0.5
166.12296	2.0
167.10599	0.9
168.10297	0.5
184.13347	1.0
185.12851	10.1
193.13319	0.7
205.98755	1.0
211.14430	8.4
229.15472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Leucylproline
Peak:m/z	Relative Intensity
51.57099	0.4
69.03423	0.9
70.06236	0.9
70.06594	18.3
70.75640	0.4
73.61085	0.5
74.24207	0.4
74.97076	0.5
77.08988	0.5
80.02202	0.4
81.07087	0.5
85.02925	0.6
85.06538	0.9
86.09709	68.0
87.04459	2.5
88.04842	0.8
97.02895	0.7
98.06035	0.6
99.04436	0.9
109.06598	0.5
116.07092	100.0
121.06511	0.5
122.77079	0.5
127.03880	2.1
142.05037	1.9
143.05341	2.0
153.05548	0.5
205.98778	0.9
206.20692	0.6
229.09512	4.2
229.15440	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68881	0.3
52.65905	0.3
52.95743	0.3
53.34793	0.4
55.68813	0.4
55.99403	0.3
58.06596	2.7
59.07402	0.5
60.08174	5.6
60.83286	0.3
70.06595	14.0
75.55508	0.4
80.59126	0.4
87.36753	0.4
98.06007	0.4
114.05507	1.0
119.01909	0.6
124.07606	2.1
126.09035	0.4
139.36095	0.4
142.08641	22.3
158.53369	0.5
166.04932	0.5
168.56985	0.5
170.08127	2.1
187.04417	0.5
196.30571	0.4
220.91402	0.4
229.15472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.21358	0.3
51.40394	0.3
58.06595	2.8
60.08177	5.1
70.06590	14.6
114.05508	2.1
116.07078	0.4
124.07584	2.9
133.07558	0.4
139.65182	0.4
142.08635	24.2
170.08115	0.6
175.08652	0.4
205.98773	0.4
211.10808	0.4
229.15462	100.0
235.58757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39031	1.4
53.71733	1.2
55.05518	2.1
56.90014	1.0
56.97861	1.3
58.20144	1.3
61.58020	1.2
63.22509	1.2
67.05506	6.2
76.82208	1.4
79.05492	3.0
81.07069	12.3
91.05462	2.6
93.07036	22.0
95.04974	1.5
95.08611	22.8
99.94988	1.3
105.07007	8.7
106.14368	1.3
107.08588	19.6
108.18137	1.3
109.10158	2.1
111.08091	1.7
117.07041	1.7
119.08559	14.5
121.06481	1.9
121.10139	7.8
123.08056	2.9
128.06227	1.4
129.07010	1.5
131.08546	7.7
133.10133	8.6
135.08078	14.9
137.09612	2.0
143.08559	15.6
145.10139	15.2
147.08052	2.6
149.09627	5.8
155.08540	5.7
157.10106	3.2
159.07983	1.4
159.11652	6.7
169.10121	13.1
171.11681	8.1
173.09583	2.9
173.13106	1.6
182.10895	1.9
183.11624	3.4
185.13257	18.2
186.14059	2.2
187.11189	3.4
187.14821	15.8
187.80750	1.6
190.45816	1.4
196.12442	1.9
197.13226	3.0
201.16370	2.1
207.14404	1.4
211.14836	15.9
224.66017	1.5
227.02643	1.3
229.08603	1.9
229.12274	4.2
229.15866	100.0
229.19453	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Sarmentol D
Peak:m/z	Relative Intensity
55.05503	1.8
57.03441	1.3
57.07078	3.5
67.01313	0.7
67.05503	1.9
69.07068	4.9
71.05008	8.4
75.04489	1.7
79.05493	1.4
79.56055	0.8
81.07063	17.8
83.08629	3.3
93.07043	4.5
93.89774	0.8
94.69632	0.9
95.08612	19.6
97.06532	1.3
97.10129	1.1
99.04471	1.5
99.08114	1.8
101.06002	1.7
105.07034	4.3
107.08614	11.7
108.00676	0.8
109.06467	0.9
109.10152	11.2
111.08048	1.4
113.09637	3.4
115.07526	4.9
119.07861	1.2
119.08600	17.5
121.10145	63.8
123.08026	1.9
123.11705	100.0
127.07562	3.7
129.09149	1.0
133.10139	17.1
135.11697	22.7
137.09570	5.8
137.12320	0.9
137.13271	15.6
139.11168	1.1
139.37947	0.8
141.09097	1.0
141.12679	0.9
147.11694	2.1
149.13252	1.6
175.13313	1.1
175.14810	31.1
193.15892	14.5
211.02350	1.0
211.16907	20.1
229.17958	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27192	0.7
55.05492	1.2
57.03440	2.2
57.07080	3.9
57.46313	0.8
67.05512	3.8
69.07063	5.0
70.72138	0.8
71.04977	6.5
73.06535	0.9
75.04485	1.5
79.05453	1.4
81.07063	16.4
83.08643	1.1
85.06528	1.0
91.05473	1.0
93.07055	5.2
93.70572	0.8
95.08604	17.1
97.06534	1.3
99.08112	1.3
101.05988	1.0
105.07012	6.2
107.08598	12.5
109.06523	1.0
109.10159	9.9
111.06708	0.9
111.08056	1.6
113.09648	1.9
115.07549	5.2
119.08568	17.6
119.09324	1.5
121.10142	62.7
123.08078	3.9
123.11701	100.0
129.09036	1.3
133.10136	19.0
135.11697	22.8
137.09633	3.7
137.13249	18.9
139.11139	1.0
141.09177	0.8
147.11755	1.3
149.13200	6.2
151.14807	1.3
175.14818	33.9
193.15868	18.9
196.18591	0.8
211.16936	20.8
229.17984	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.081
Annotation	FENAMISAL
Peak:m/z	Relative Intensity
50.78499	0.2
51.14793	0.2
52.07948	0.2
61.03134	0.2
73.12926	0.2
82.06601	0.3
86.06062	0.6
87.04484	0.3
98.06052	1.2
100.49520	0.2
113.96414	1.4
115.89349	0.3
116.96355	0.3
122.06053	0.5
127.44442	0.3
130.37085	0.3
131.97496	0.3
140.07086	0.5
152.07002	0.3
154.08641	1.1
156.10164	0.4
176.10608	0.3
182.08034	0.4
184.09521	0.4
194.08118	0.5
194.11806	0.4
202.08760	0.2
212.12773	0.3
215.05775	3.2
230.08112	100.0
230.13925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0923
Annotation	Caerulomycin A
Peak:m/z	Relative Intensity
55.05505	0.3
56.69545	0.2
60.08160	0.5
63.20837	0.3
63.30537	0.2
63.48688	0.3
63.68213	0.3
69.03418	1.6
69.04546	0.3
69.07060	0.3
70.06543	0.3
71.72820	0.2
72.08157	0.4
81.03423	0.4
84.08124	0.3
85.02909	10.5
86.06075	2.3
87.04446	0.4
88.03996	2.6
91.05462	1.3
94.06583	0.5
97.02883	1.4
98.06049	2.5
98.09676	1.5
110.06061	0.5
110.64851	0.3
119.04923	0.4
121.06531	0.4
122.05991	0.4
128.38733	0.3
132.99963	0.3
137.05998	6.8
140.07082	1.5
144.10127	0.7
154.08659	2.3
162.05493	1.2
167.06981	0.7
168.07373	3.1
171.06491	1.4
182.08200	0.4
184.09647	2.0
184.13318	4.5
194.08125	1.9
194.11882	0.9
203.08189	0.4
212.09119	0.7
212.12761	0.6
213.06604	0.7
230.09230	100.0
230.13792	7.2
235.98961	0.3
253.81001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01866	1.2
55.92373	0.5
56.05020	0.7
57.59804	0.6
59.24155	0.7
59.39866	0.6
60.04539	0.9
62.35293	0.6
68.05022	1.4
69.03440	10.2
69.05599	0.6
70.06602	6.7
72.04510	1.0
73.02908	0.9
73.03851	0.7
81.03421	1.7
84.08195	1.0
85.02890	3.1
86.06071	77.1
86.09705	11.1
87.04467	1.0
88.11240	1.1
96.04466	3.4
96.13766	0.7
97.02898	55.5
98.06058	100.0
98.09696	13.3
99.04448	3.9
100.11206	0.8
101.02298	0.7
102.05545	0.8
108.04243	0.7
109.02898	7.9
110.06029	4.7
110.09647	1.2
111.04392	0.9
113.02401	0.9
113.96415	1.3
121.25244	0.7
124.03972	0.9
124.07581	1.1
126.05489	3.2
126.09157	1.0
127.03903	4.6
128.07031	1.0
128.10741	6.4
138.05510	1.4
138.09123	3.0
142.08649	1.1
143.08995	1.4
148.07652	0.8
152.07019	1.1
166.08589	3.6
170.11766	0.8
176.07076	1.5
182.08109	30.1
190.34332	0.8
194.08127	49.4
211.96922	0.7
212.09177	27.0
212.12617	7.2
217.67137	0.7
230.10376	13.2
230.13840	66.3
230.15829	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29565	0.8
50.56538	0.9
50.79182	0.8
55.01858	1.3
58.02971	1.0
59.09113	0.9
61.02925	1.1
69.03434	4.1
70.06592	5.6
70.53961	0.9
81.03412	1.9
84.48534	1.1
85.02922	7.6
86.06071	43.9
86.09712	2.1
92.21454	1.4
97.02895	23.9
98.06056	100.0
109.02879	8.2
110.06055	7.7
112.61327	1.3
121.06499	16.3
124.07555	1.3
126.05508	8.9
127.03896	4.4
138.09152	1.2
140.07071	7.8
142.08624	5.8
166.08649	1.7
170.08113	8.3
180.59090	1.0
182.08116	14.1
194.08133	19.3
209.68053	1.1
210.99954	1.1
212.09122	16.5
212.16495	1.1
213.07571	7.2
230.08211	2.1
230.10110	6.9
230.11784	12.0
230.13893	7.1
230.17535	1.7
240.17444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11010	0.3
56.05049	0.7
66.08642	0.4
66.48623	0.4
68.05033	0.8
69.03441	2.5
69.07085	3.0
70.06580	3.6
72.04541	0.5
75.93632	0.4
81.03431	2.1
84.04499	1.0
85.02917	1.9
86.06074	6.7
86.09737	2.0
87.04472	14.8
88.04000	5.2
96.04516	1.7
97.02892	9.5
98.06059	19.3
98.09696	73.7
99.04445	1.9
109.02876	1.9
111.04472	0.5
116.07096	7.3
116.10725	13.2
126.05537	2.6
127.03889	0.5
128.10686	0.5
138.05510	0.6
140.07057	1.0
142.08699	0.7
144.06543	1.7
144.09047	0.8
144.10202	25.9
152.07092	0.6
164.07103	0.9
166.08627	1.0
182.08041	4.3
184.09770	2.4
184.13326	100.0
194.08121	4.6
205.94482	0.5
212.09229	4.4
212.12831	2.7
230.10277	21.7
230.13847	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1386
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
53.95496	0.8
55.01872	1.2
57.03428	1.3
58.06598	0.7
68.05032	1.6
69.03431	7.6
69.07052	1.3
70.06588	6.0
72.04518	1.1
72.93776	0.8
73.02902	0.9
78.41023	0.8
81.03403	3.2
83.05000	1.0
84.04494	1.0
84.08115	1.0
85.02908	6.2
86.06073	37.1
86.09708	14.9
87.04447	1.3
96.04516	1.1
97.02892	24.2
98.06057	44.4
98.09704	17.9
99.04440	3.3
109.02878	4.3
110.06025	3.2
110.09644	1.1
113.02316	1.2
113.96370	3.2
124.07550	1.0
126.05473	1.7
127.03902	3.4
128.07076	1.6
128.10725	7.1
130.44380	0.8
138.05548	1.1
138.09142	1.2
140.10634	1.1
142.08630	1.2
152.10663	1.0
166.08565	1.6
170.11731	3.7
170.28786	0.8
182.08102	14.2
184.13411	0.9
194.08125	23.4
212.09242	16.0
212.12698	8.6
230.08008	2.0
230.10451	10.9
230.13847	100.0
230.15788	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1387
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
50.77427	0.4
51.27387	0.4
53.03975	0.6
55.01887	0.6
55.05522	1.9
57.03445	1.9
58.03781	0.4
59.21436	0.5
60.08173	4.4
67.05520	0.6
67.65222	0.4
69.03437	11.5
69.07082	0.6
70.03764	1.9
70.06573	0.6
70.07426	0.7
71.04993	0.7
73.02950	0.7
74.06087	2.9
81.03427	2.1
81.07101	0.6
81.18323	0.4
82.03764	1.2
83.04977	0.8
84.05343	1.7
85.02911	100.0
85.06547	0.8
86.03266	0.6
86.06862	0.7
86.09718	0.8
87.04463	3.1
88.03995	9.8
92.05818	0.5
94.07336	1.7
95.04979	0.7
96.05300	0.9
97.02886	2.4
98.03205	1.0
98.06865	0.8
98.09697	5.0
99.04473	0.5
105.55016	0.5
110.03248	0.7
110.05997	0.6
110.06842	0.9
111.04447	0.7
111.08091	0.7
112.05090	0.8
120.08868	0.9
122.06034	0.7
122.06817	0.6
123.08042	0.6
124.04749	0.7
124.07620	0.6
127.03122	0.5
127.03967	0.9
128.04236	1.8
128.05203	0.5
133.68372	0.5
134.06850	0.6
137.07106	2.3
140.07040	3.1
144.10222	3.3
148.08374	0.9
154.08630	2.2
166.12219	0.6
168.07503	1.5
171.06546	11.2
180.07629	1.1
184.09685	0.8
184.13327	17.0
194.11739	0.9
198.08760	2.2
212.09875	0.8
212.12791	0.9
230.09305	11.2
230.11288	4.8
230.13826	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24615	1.2
55.05521	5.0
57.03435	1.3
57.07080	2.8
67.05508	10.8
68.05853	1.4
68.79088	1.4
69.07073	16.8
70.06608	1.5
71.08622	2.2
79.05485	1.3
81.07069	10.9
83.08636	23.3
86.06065	8.9
93.07032	13.1
95.08619	7.8
97.02883	2.6
97.06533	6.6
98.06059	8.9
100.07635	2.6
107.08599	8.0
109.02866	1.7
109.10157	7.6
110.09757	1.4
110.10464	1.9
111.08123	9.6
114.09174	5.2
119.18113	1.2
121.10156	4.8
123.11746	1.8
124.11220	1.7
125.13290	2.1
135.11725	2.6
149.13257	30.5
166.15915	31.5
167.14288	13.0
184.16963	7.6
194.08144	6.0
195.13950	1.6
212.09169	2.4
212.16452	100.0
213.14958	2.4
230.10094	4.1
230.14558	2.5
230.24812	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86701	0.5
55.01875	0.5
55.05515	5.9
57.03447	0.9
57.07086	5.9
67.05511	10.7
69.07072	17.0
70.06599	0.8
71.04977	2.3
71.08630	2.5
71.30611	0.6
72.08150	0.5
79.05487	2.8
81.07063	12.0
83.04982	0.9
83.08622	22.6
84.08129	0.6
85.06564	1.2
86.06066	4.2
86.09716	1.1
92.21552	0.7
93.07054	11.4
95.08596	6.1
96.08125	0.8
97.06540	6.1
97.10162	3.4
98.06081	1.0
99.08120	0.6
100.07617	4.1
107.08608	9.6
109.10149	4.8
110.09726	2.0
110.32913	0.6
111.08106	6.9
114.09168	4.5
119.08536	0.9
121.10151	6.4
123.11696	2.3
124.11184	1.3
124.37406	0.5
125.13264	3.0
128.10701	1.2
128.83257	0.6
133.10136	1.3
135.11707	3.5
142.15906	0.7
143.03308	0.5
148.08690	0.8
149.13260	33.6
149.14459	1.2
153.07254	0.6
159.11670	5.1
162.10385	0.6
166.15910	35.5
167.14304	13.5
167.98853	0.6
175.77103	0.7
177.12733	3.4
184.16917	8.9
194.08209	0.7
194.15396	3.7
195.13811	0.9
212.16451	100.0
213.14867	2.8
213.54594	0.6
230.14146	0.7
230.24788	12.5
231.15967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.175
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.05514	5.7
56.27671	0.9
56.96564	4.0
57.07074	3.9
62.72331	0.8
67.05525	7.3
69.07070	15.9
70.06595	1.2
71.04997	1.2
71.08626	1.3
72.08153	1.6
79.05486	4.2
81.07055	11.1
83.08618	24.6
85.06544	2.2
86.06058	6.5
87.04482	1.4
93.07048	13.8
95.08602	5.2
96.08127	1.0
97.02882	1.2
97.06531	6.6
98.06044	6.8
100.07623	5.4
107.08578	8.3
109.10155	4.5
109.93112	1.1
110.09671	1.7
111.08097	5.0
114.09138	1.8
115.88501	1.0
121.10146	6.3
123.11713	3.9
128.10695	1.4
149.13251	31.1
159.11670	5.5
160.56505	1.1
166.15894	33.9
167.14301	8.5
167.66899	1.1
174.09810	8.3
177.12701	1.9
183.10364	6.7
184.16977	8.2
189.10298	1.5
192.10861	1.1
194.08168	5.9
194.15364	2.5
198.10912	8.3
206.54668	1.0
207.09705	1.6
207.11438	24.4
212.09167	2.2
212.16444	100.0
213.14792	2.1
230.10277	2.3
231.15929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	33.5
57.07079	13.2
59.03753	1.5
59.17163	1.3
62.06092	1.6
67.05510	13.9
69.07068	59.8
71.04990	5.7
71.08621	6.1
71.67810	1.2
72.83242	1.6
75.32130	1.4
79.05490	6.7
81.07052	26.7
83.08624	100.0
85.02898	2.2
85.06533	6.1
85.10170	1.6
86.06059	8.5
93.07043	25.6
95.08595	12.0
97.06528	13.1
97.10175	31.7
98.06066	6.8
100.07621	7.7
107.06683	1.7
107.08591	25.4
109.10141	12.2
111.08044	10.4
114.09138	2.6
121.10123	16.4
123.11683	1.8
125.09627	5.5
128.10704	1.7
149.13254	81.1
167.14296	54.2
171.46275	1.5
184.16928	7.5
194.08109	3.5
195.13858	2.3
202.18106	1.6
212.16469	6.4
212.23749	1.6
213.14859	2.7
216.33308	1.7
230.17517	6.3
230.24763	17.3
231.15897	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.07088	10.2
58.06591	2.4
62.05845	0.6
62.06096	10.0
71.08633	6.0
76.66716	0.5
84.14979	0.6
85.10183	2.7
92.80199	0.6
98.90543	0.5
144.56691	0.6
179.60052	0.6
212.23750	7.0
230.24785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59731	0.4
57.07085	10.6
58.06594	1.9
59.31321	0.4
62.06089	10.4
66.44605	0.4
71.08639	5.3
73.94028	0.4
81.34515	0.5
85.10177	2.6
107.72491	0.5
132.44664	0.5
148.47188	0.5
204.32576	0.5
212.23705	7.8
230.24777	100.0
232.97792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60351	0.5
57.07082	12.1
58.06591	1.2
62.06090	8.3
71.08646	7.0
85.10178	2.8
93.80450	0.6
126.42784	0.6
152.00089	0.6
212.23721	9.6
225.44360	0.7
230.24780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41550	5.1
60.98738	5.7
68.94138	5.0
80.42612	5.2
84.08176	6.3
105.00172	9.2
116.07032	7.3
121.48274	5.9
126.05508	37.1
139.34363	5.6
145.05014	7.1
145.06093	33.9
168.06525	67.2
172.06062	100.0
183.08411	6.7
185.03006	11.0
185.09210	12.3
213.09047	7.3
231.02802	6.7
231.09837	37.0
231.13496	13.9
231.16211	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45664	1.5
55.05513	2.2
85.01409	2.7
87.04464	1.7
101.00881	17.0
103.02448	13.3
117.03991	12.1
119.01899	37.2
121.03484	8.5
126.05506	20.1
127.02367	3.1
128.03416	3.0
129.00336	2.8
131.01956	2.0
133.03462	3.9
135.05011	10.9
137.02966	7.3
143.01886	2.5
145.03465	61.4
145.06050	20.1
147.01385	21.4
158.81165	1.8
161.02985	12.9
163.04539	20.7
165.02386	3.1
168.06554	48.9
171.01399	21.3
172.06026	54.3
185.02928	2.3
185.09242	14.4
186.07632	4.1
189.02448	100.0
207.03447	19.9
216.16563	1.9
231.03453	28.1
231.09825	17.7
249.04448	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58441	0.6
53.03960	8.5
55.01873	3.9
55.22987	0.6
55.83867	0.6
59.94978	0.6
69.03433	18.6
71.01353	1.7
71.04982	6.1
72.08134	5.3
73.02918	5.9
81.03422	15.3
87.04448	1.2
89.02396	3.8
97.02891	59.0
99.04454	100.0
115.03914	16.4
133.04970	43.5
163.03860	1.0
185.16502	1.2
190.04947	1.6
213.05380	0.8
231.06369	0.9
231.08395	3.0
231.11182	4.5
231.17030	2.8
240.13295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51282	1.0
55.05515	7.0
60.04541	1.1
63.32350	1.0
70.06579	1.3
74.83040	1.0
84.04510	5.3
84.52027	1.2
85.01432	1.4
86.02409	2.1
87.05592	1.3
87.20608	1.3
88.03988	1.5
94.79123	1.1
99.04461	1.9
99.05566	1.9
101.00880	7.3
101.07157	2.5
103.02455	7.3
116.07085	7.1
117.04007	2.8
117.06633	4.5
119.01910	19.5
120.35404	1.1
121.03430	1.3
126.05519	42.4
127.02387	2.7
128.03433	5.2
129.00395	1.4
131.01897	2.6
133.03470	6.2
135.05072	2.5
137.02919	2.0
142.08646	2.7
145.03479	27.7
145.06079	35.2
147.01402	8.7
151.04562	1.9
161.02954	7.6
163.04501	10.6
165.02472	2.5
168.05118	2.7
168.06555	84.8
171.01337	11.5
172.06036	100.0
173.03008	1.2
185.02969	2.3
185.09204	22.8
186.07565	8.7
187.04518	2.9
189.02429	49.0
196.06194	1.4
207.03490	10.4
213.00081	1.4
218.12334	1.2
231.01282	2.5
231.03395	17.8
231.09767	34.0
231.16048	2.7
249.04506	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77840	1.0
55.05524	7.4
80.66388	0.9
84.04501	7.3
87.05592	1.4
99.04446	2.0
99.05548	1.7
99.93665	0.9
100.03982	1.8
101.00854	1.3
103.02454	2.0
116.07092	3.7
117.06599	4.0
119.01908	5.0
124.07633	1.3
126.05517	36.9
128.03450	5.4
140.75545	0.9
142.08659	2.2
145.03529	8.2
145.06087	32.5
147.01353	2.1
161.02937	1.4
163.04504	1.8
168.06549	77.1
171.01375	5.6
172.06038	100.0
185.03008	1.3
185.09207	21.1
186.07579	10.4
189.02467	16.4
207.03564	2.1
214.06999	1.6
231.03554	1.2
231.09732	33.9
252.17619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88721	0.8
55.05517	7.7
56.05041	3.5
60.04525	1.1
60.05729	0.9
60.16257	0.9
66.84037	0.8
70.02956	1.1
70.06596	6.8
84.04500	5.7
86.02447	1.5
87.04445	1.1
87.05613	1.4
88.03996	1.6
90.49892	0.9
99.04488	1.5
99.05592	2.2
100.03952	1.4
101.07162	1.0
101.11917	0.8
116.07114	3.9
117.06618	2.2
119.01911	4.8
126.05521	40.9
128.03432	7.4
131.01782	1.0
133.03500	1.5
142.07608	1.1
142.08611	2.0
145.03571	2.8
145.06090	45.3
147.01437	1.0
161.02979	3.7
168.06564	93.5
171.01384	5.5
172.06044	100.0
185.02863	3.3
185.09204	26.1
186.07645	10.6
188.92497	1.8
189.00005	1.1
189.02438	5.2
192.16983	1.0
198.98502	5.0
203.04056	2.2
207.03432	1.1
212.99918	1.2
214.07094	6.9
216.99609	2.1
230.93468	1.3
231.03429	1.7
231.07402	1.4
231.09761	38.3
231.13397	2.3
231.15883	1.3
254.12927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1015
Annotation	Naproxen
Peak:m/z	Relative Intensity
61.61506	0.6
83.01340	4.4
83.08634	1.2
91.05479	95.9
105.07034	51.4
115.05441	2.9
119.08573	0.9
132.05695	1.6
133.06526	9.6
140.04671	12.5
143.04999	1.3
143.08533	1.0
144.05769	0.8
160.05188	4.9
161.06029	0.9
170.07166	0.9
171.04414	1.0
171.07979	1.2
175.04027	0.9
175.07516	4.4
177.87181	0.7
185.39465	0.9
187.07530	3.0
188.04639	2.9
188.08353	1.7
190.05031	1.0
194.35083	0.7
198.03030	1.6
198.06761	1.1
201.05414	5.1
203.06985	3.2
216.04048	3.0
216.07913	1.3
221.08246	0.7
231.06612	24.2
231.10133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07687	1.1
64.39303	1.4
67.29238	1.3
70.06583	2.9
73.06425	11.3
73.54208	1.1
85.06399	9.7
97.02903	1.6
97.37813	1.5
99.04470	2.7
113.09505	72.1
126.09415	2.5
126.10287	55.9
140.11833	84.5
145.08453	3.6
157.07643	1.9
159.95036	1.7
184.10829	11.1
185.11586	43.0
188.46516	1.5
194.08344	1.5
211.31898	1.6
231.07466	2.6
231.08403	4.8
231.10872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92809	0.2
51.43172	0.2
52.88530	0.2
55.01890	0.3
55.05521	7.0
57.05828	0.4
64.48120	0.2
66.10208	0.2
69.03429	0.5
72.08159	100.0
81.03429	0.4
83.00797	0.3
85.02896	0.3
86.09702	5.2
97.02883	2.1
98.06025	0.3
99.04476	2.0
115.03948	0.3
121.06586	0.4
132.10222	3.9
133.05009	0.7
152.43256	0.3
185.09555	0.3
185.16541	1.1
231.08482	0.6
231.11215	0.6
231.14543	0.5
231.16989	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.8
53.87771	0.3
55.01880	0.6
55.05521	7.9
57.05834	0.3
66.96947	0.3
69.03433	2.5
69.07054	0.4
71.04995	0.7
72.08162	100.0
73.02921	0.3
79.05539	0.3
81.03428	2.2
83.88265	0.3
86.09708	4.8
88.46926	0.3
96.50076	0.3
97.02901	7.3
98.06078	0.5
99.04459	12.6
99.05093	0.6
111.05574	0.4
115.03970	2.0
121.06537	0.4
127.03919	0.4
132.10196	4.1
133.04979	4.1
159.08134	0.5
185.09650	1.6
185.16570	0.8
202.41530	0.3
203.10834	0.4
205.81303	0.4
213.09322	0.6
231.08362	1.8
231.11478	2.5
231.17049	3.2
234.01976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57372	1.8
55.05519	29.5
56.07513	2.0
57.07090	24.8
63.98784	1.9
67.05502	4.8
69.07075	47.3
71.08630	9.2
72.04497	3.7
72.08106	2.1
75.20249	1.8
79.05518	2.5
81.07057	17.5
83.08625	100.0
84.08141	2.6
85.32831	1.8
86.06068	4.1
93.07034	9.9
93.07591	2.2
95.08588	4.2
97.06519	3.0
97.10154	39.8
97.10734	2.4
98.06049	2.8
100.07623	3.8
104.26019	2.3
107.08598	4.5
109.10130	4.9
114.09164	3.7
114.67103	2.2
121.10155	3.5
149.13260	4.7
157.10216	3.5
171.11629	2.8
178.32976	2.1
189.06221	2.4
198.90498	2.3
214.14337	14.8
231.04706	4.4
231.13850	4.7
231.17128	32.5
231.21014	4.1
232.15446	71.8
232.78737	2.5
250.60080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1701
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
50.33791	0.4
55.05515	2.8
57.90807	0.5
61.91397	0.5
65.94085	0.6
72.08158	37.3
75.43334	0.7
80.15665	0.5
86.09708	100.0
98.88559	0.6
118.08631	4.5
132.10217	1.0
163.15273	0.6
168.06493	0.6
182.40472	0.6
185.16489	2.9
223.83507	0.6
231.07681	7.2
231.17043	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.92809	0.2
51.43172	0.2
52.88530	0.2
55.01890	0.3
55.05521	7.0
57.05828	0.4
64.48120	0.2
66.10208	0.2
69.03429	0.5
72.08159	100.0
81.03429	0.4
83.00797	0.3
85.02896	0.3
86.09702	5.2
97.02883	2.1
98.06025	0.3
99.04476	2.0
115.03948	0.3
121.06586	0.4
132.10222	3.9
133.05009	0.7
152.43256	0.3
185.09555	0.3
185.16541	1.1
231.08482	0.6
231.11215	0.6
231.14543	0.5
231.16989	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Ile-OH
Peak:m/z	Relative Intensity
52.14291	0.2
53.03960	0.4
55.05519	6.6
56.05048	0.4
57.05841	0.4
58.06610	0.2
61.69403	0.2
69.03433	2.6
69.07069	0.3
70.06584	0.5
71.44905	0.2
72.08156	100.0
72.64484	0.2
73.02898	0.2
74.11913	0.2
81.03414	0.5
84.04492	0.3
85.02902	1.6
86.09706	54.3
87.00828	0.5
96.20370	0.2
97.02873	1.8
99.04449	1.0
109.02921	0.3
116.07051	0.6
117.07463	0.2
118.07501	0.6
118.08645	1.5
120.54661	0.2
126.09129	1.1
127.03909	1.0
132.09294	0.3
132.10205	6.0
166.66893	0.2
168.10207	0.4
172.09618	1.2
185.16513	2.8
189.06508	0.4
203.07295	0.3
203.11829	0.2
206.36894	0.3
213.13815	0.3
213.15802	0.3
231.08102	3.6
231.11180	1.2
231.17050	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1742
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
50.26615	1.4
55.05522	2.5
56.52799	1.3
67.05507	6.7
69.07063	7.5
73.96540	1.5
74.86360	1.5
79.05487	1.8
81.07053	9.4
83.04971	3.2
83.08640	3.2
91.05476	2.4
93.07021	10.6
95.08604	6.1
105.07000	5.7
107.01263	1.6
107.08606	7.2
109.10150	3.3
119.08590	11.6
121.10122	14.3
123.08040	3.1
129.11888	1.4
131.08600	1.5
133.10110	13.0
135.08052	6.8
143.08556	8.0
143.09645	1.4
145.10095	6.0
147.11688	11.9
149.09625	1.6
149.13289	2.6
157.10120	11.5
159.11664	3.3
161.09615	36.0
161.13251	9.8
163.11174	6.2
171.11703	9.6
173.13286	2.8
175.11156	25.8
175.14827	1.8
185.13261	1.7
189.12798	7.2
192.28775	1.6
203.14229	1.8
203.17970	10.2
213.16318	17.8
231.13928	2.7
231.17450	100.0
231.21072	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
52.73681	2.0
55.05515	5.4
57.03435	2.2
65.69283	2.3
67.05508	5.2
69.07060	10.2
72.46138	2.8
75.30645	2.2
79.05507	11.5
81.07062	12.4
83.04974	4.6
85.19417	2.7
87.68143	2.3
91.05482	12.8
93.07067	19.5
95.08607	13.4
97.02901	2.9
104.02498	2.5
105.07031	18.9
107.08590	12.4
109.10194	5.3
111.18001	2.4
117.06963	4.2
119.08596	21.2
121.10155	11.6
123.11769	3.1
129.06999	5.8
131.08551	6.1
133.10155	21.7
135.08054	10.3
135.11679	5.6
143.08586	11.7
145.10158	6.2
147.08038	3.2
147.11671	20.8
149.13274	3.9
156.09329	2.4
157.10130	13.4
159.11737	4.2
161.09621	26.1
161.13307	12.9
163.11214	4.8
171.11711	14.9
173.13315	4.5
175.11176	23.3
177.95518	2.4
185.13287	6.1
189.12733	12.5
203.14404	3.6
203.17947	5.7
213.16460	16.7
231.06467	5.1
231.13898	23.7
231.17439	100.0
231.20924	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	CHEBI:67918
Peak:m/z	Relative Intensity
51.72261	1.4
54.14151	1.5
55.05520	3.7
67.05505	4.2
69.07069	3.4
75.85326	1.7
79.05484	2.1
81.07053	4.3
83.04986	3.6
91.05498	2.1
93.07047	9.7
95.08614	10.4
105.07016	4.1
107.08593	4.4
109.10160	2.8
119.08581	13.6
121.10139	10.2
123.08029	3.5
130.73720	1.6
131.08531	2.2
133.10110	11.1
135.08014	3.6
135.11670	2.5
143.08572	7.0
145.10136	7.5
147.08028	1.8
147.11708	14.5
157.10115	16.2
159.11601	3.4
159.35425	1.6
161.09621	36.5
161.13231	7.4
163.11266	6.5
171.11685	6.3
175.11208	28.3
175.14812	3.1
176.25424	1.7
179.89398	1.9
183.06044	1.8
185.13127	2.4
189.12724	8.3
190.04845	2.4
203.17979	11.2
213.16408	17.9
231.17436	100.0
231.21046	11.6
231.25015	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1743
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
55.05505	6.8
57.03421	1.8
57.07078	3.1
67.05496	10.3
67.05800	1.3
69.03426	3.7
69.07072	7.7
71.04973	2.0
71.08649	2.0
78.05319	1.5
79.05483	8.2
81.03447	2.0
81.07057	12.9
83.05019	2.6
83.08630	6.5
85.06499	2.0
91.05495	21.4
93.07047	13.9
95.04969	2.4
95.08628	12.3
95.09144	2.0
97.06524	2.2
105.07042	33.6
107.08601	13.6
109.10162	9.5
111.08141	1.9
117.06992	8.7
119.08606	33.2
121.10142	14.3
129.07057	13.0
131.08566	16.5
133.10127	33.7
135.08025	2.5
135.11688	6.5
142.07779	2.0
143.08537	9.3
145.10147	20.6
147.08066	6.9
147.11687	44.8
149.09547	2.4
157.10121	22.7
159.11678	12.8
161.09619	6.7
161.13301	4.0
170.10895	1.8
171.11693	26.0
173.13248	6.6
175.11197	6.3
175.14708	2.5
184.78477	1.7
185.13219	6.5
187.14796	11.4
189.12787	3.9
190.05086	1.9
203.17955	3.7
206.10320	1.7
213.13206	1.9
213.16367	41.0
225.52209	1.6
231.13806	10.0
231.17447	100.0
231.21075	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44300	2.2
52.65221	2.3
53.40742	2.1
55.05500	3.0
55.93088	2.2
57.07075	2.8
66.89109	2.7
67.05527	20.7
67.05805	2.4
68.24031	2.7
69.07053	3.1
69.45023	2.4
79.05503	13.5
81.07064	20.6
81.44406	2.8
83.08614	3.8
91.05473	18.2
93.07040	32.7
95.08626	21.7
105.07043	17.2
107.08598	16.4
109.10147	11.4
119.08588	17.3
121.10133	15.0
133.10112	34.5
135.11661	13.3
147.11722	23.8
149.13248	13.8
161.13222	23.2
166.59920	3.4
175.14816	18.7
189.16353	5.2
231.17444	10.6
231.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31660	1.0
52.83057	0.7
56.96556	1.2
63.91591	0.7
67.16757	0.9
69.03439	1.6
70.02958	10.0
70.03304	1.1
70.06589	1.0
71.01357	16.3
74.02438	17.7
80.01373	1.6
81.47826	1.0
84.03989	0.9
85.02901	1.1
87.05571	1.2
88.03992	100.0
89.02391	17.8
96.04478	4.8
97.02892	2.2
98.02415	72.3
99.00805	13.1
114.05508	8.0
116.03448	29.5
118.33421	0.9
122.02402	1.4
124.03947	70.4
126.01873	37.4
127.51145	0.9
140.03413	17.3
142.04990	21.8
144.02924	8.4
149.01247	1.3
150.01863	59.0
158.04509	7.1
160.91817	0.9
168.02904	28.7
172.13354	1.4
186.03996	29.6
196.02431	6.2
204.05048	2.1
206.87003	1.0
208.95963	1.1
208.99588	1.2
214.03462	20.0
232.05997	3.8
232.09712	16.7
232.11668	2.7
232.17369	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22615	0.4
56.25594	0.5
63.52242	0.4
67.44495	0.5
71.13270	0.4
73.75547	0.4
80.04461	0.5
88.30434	0.6
103.74880	0.5
123.92848	0.6
172.03931	4.5
183.23062	0.6
190.04974	100.0
218.04471	20.5
218.06458	1.1
221.57274	0.6
232.06020	26.6
232.13290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0966
Annotation	p-Hydroxyphenopyrrozin
Peak:m/z	Relative Intensity
53.39787	0.8
66.59894	0.7
78.89379	0.9
92.26125	0.8
116.78097	0.8
128.75671	0.8
151.59322	0.9
157.42532	1.0
166.68710	0.9
188.07062	26.5
200.07068	1.1
209.14288	1.0
216.06535	22.4
217.05222	1.7
217.07330	47.2
232.09671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83752	0.8
50.89182	0.7
53.91631	0.9
65.31715	0.9
69.03436	0.9
70.06586	3.9
72.08167	1.4
77.35773	1.0
79.05507	2.5
80.25623	1.2
82.06601	1.8
84.04506	6.5
84.08141	34.8
86.06053	4.8
87.04472	7.2
87.27009	1.3
97.06541	1.4
98.06039	2.2
99.04507	1.2
100.03933	0.9
100.07625	4.9
102.05513	1.9
110.06028	2.4
111.04405	7.3
116.07107	4.5
126.05524	2.5
127.05872	2.1
128.03429	2.3
128.07071	32.6
129.03818	0.9
142.08638	11.7
144.06494	1.2
145.05974	1.1
146.04515	2.1
146.08153	1.4
158.08244	1.2
168.06575	6.2
168.10159	1.8
169.06891	6.3
172.06030	2.5
172.09674	56.2
173.06415	9.8
178.08580	3.9
186.07683	1.8
186.09593	1.5
186.11287	4.3
196.09612	7.2
214.10756	8.3
232.11807	100.0
246.99886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83752	0.8
50.89182	0.7
53.91631	0.9
65.31715	0.9
69.03436	0.9
70.06586	3.9
72.08167	1.4
77.35773	1.0
79.05507	2.5
80.25623	1.2
82.06601	1.8
84.04506	6.5
84.08141	34.8
86.06053	4.8
87.04472	7.2
87.27009	1.3
97.06541	1.4
98.06039	2.2
99.04507	1.2
100.03933	0.9
100.07625	4.9
102.05513	1.9
110.06028	2.4
111.04405	7.3
116.07107	4.5
126.05524	2.5
127.05872	2.1
128.03429	2.3
128.07071	32.6
129.03818	0.9
142.08638	11.7
144.06494	1.2
145.05974	1.1
146.04515	2.1
146.08153	1.4
158.08244	1.2
168.06575	6.2
168.10159	1.8
169.06891	6.3
172.06030	2.5
172.09674	56.2
173.06415	9.8
178.08580	3.9
186.07683	1.8
186.09593	1.5
186.11287	4.3
196.09612	7.2
214.10756	8.3
232.11807	100.0
246.99886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.133
Annotation	(plusmn)Fenfluramine
Peak:m/z	Relative Intensity
52.92354	0.2
54.94900	0.2
64.51354	0.2
67.57758	0.2
69.03477	0.2
80.71419	0.2
86.06039	0.2
86.09702	0.3
87.04488	0.3
91.05481	0.4
92.20891	0.3
96.08109	2.2
97.15829	0.2
113.65670	0.2
119.04894	0.2
121.06435	0.3
137.05959	4.6
159.85284	0.3
176.09294	0.4
201.07848	1.0
201.97551	0.2
214.07082	0.5
214.14221	1.0
230.11746	4.0
232.09616	4.2
232.13322	100.0
232.15274	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	2.7
57.37718	0.6
59.74437	0.6
60.08173	6.7
64.30996	0.6
64.91372	0.6
70.83144	0.6
72.08160	3.1
73.08474	1.3
81.94266	0.7
83.10125	0.6
84.32574	0.7
85.02911	100.0
86.09702	8.0
87.10040	5.8
116.97215	1.0
118.96436	0.8
123.92013	0.6
131.99500	0.7
144.10199	1.3
144.98183	0.8
153.29247	0.7
159.99022	0.8
173.08055	8.6
190.98692	2.6
208.99739	3.5
232.09848	1.1
232.15433	25.0
232.17247	1.1
243.79845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1541
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
50.36408	0.6
57.03431	0.7
58.18637	0.6
60.08167	6.8
61.92363	0.6
62.23341	0.6
71.04990	1.5
72.08153	1.6
73.08494	0.6
80.49930	0.6
81.61065	0.7
82.20459	0.7
85.02908	100.0
85.66325	0.7
86.09695	3.0
87.10036	2.8
95.57275	0.7
97.84979	0.7
101.78772	0.7
110.89508	0.7
115.72279	0.6
144.10201	3.1
173.08080	12.5
185.31317	0.8
186.90654	0.7
232.15413	21.9
232.17566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.05047	4.2
67.05506	1.5
69.07069	2.8
70.91832	0.7
84.00803	0.7
86.09706	8.2
91.05469	1.9
93.05893	0.8
93.07062	3.5
95.04924	0.9
109.10165	10.4
111.11747	1.2
112.03974	13.5
119.08564	1.1
121.06504	29.7
132.10173	1.7
133.10127	6.0
136.11218	1.5
137.09590	3.7
143.08597	0.9
151.11201	4.1
154.12271	45.2
161.09645	1.4
172.13318	100.0
174.05821	0.8
176.06821	0.7
179.10756	1.0
196.13316	6.8
214.14249	1.1
232.09721	13.7
232.13338	2.9
232.15419	33.5
243.98277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09532	8.4
57.33496	11.3
64.13417	9.6
69.03394	11.9
72.04527	11.4
74.61964	12.9
84.04498	46.1
84.08134	26.7
85.02905	14.2
86.06051	26.1
87.04449	23.5
94.44651	10.1
99.47697	12.6
103.02473	17.0
104.07102	54.5
108.04486	37.9
119.01907	16.3
119.87009	12.5
124.48591	11.1
126.05514	13.5
133.03484	46.6
137.02974	13.4
138.05475	18.0
143.01897	65.2
145.03467	54.4
149.01180	15.0
150.05487	51.2
152.04944	17.7
156.06560	27.4
161.02885	77.3
161.05403	11.7
167.08195	100.0
173.02924	13.6
174.07553	21.7
175.04605	15.1
187.02768	14.2
187.04414	21.8
191.03951	44.1
197.09209	20.2
215.10301	93.5
216.08694	26.1
233.04622	20.0
233.06531	53.4
233.11317	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19204	18.9
57.93964	24.9
72.08148	38.1
81.48844	23.0
84.04498	45.6
86.06051	84.0
86.09679	42.7
87.04483	97.8
104.07115	100.0
145.03606	26.0
233.04237	55.5
233.12569	28.1
242.42740	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36407	1.8
66.01115	2.2
72.06506	2.0
81.07058	3.3
93.07014	3.1
105.07029	9.5
107.08569	3.5
115.05437	3.0
117.07046	10.9
121.06533	2.3
129.06932	2.9
129.30432	2.1
131.08522	3.0
135.08058	100.0
137.05989	3.7
138.66205	2.3
144.05682	3.1
145.06502	12.3
145.10085	4.7
151.07529	3.7
155.04829	2.9
157.06441	3.3
159.11688	4.5
161.06039	2.5
172.05147	5.0
172.08818	4.2
173.05949	10.8
173.09628	12.7
174.06818	3.9
174.10400	2.4
175.07547	12.1
187.07555	11.2
187.11182	4.8
189.09103	11.3
190.06296	3.5
191.07066	3.8
200.64105	2.2
201.05412	5.0
203.07083	3.0
205.06744	4.2
205.08501	17.8
205.12146	2.3
211.38264	2.3
215.10725	19.2
215.14195	2.5
218.05807	3.4
233.05995	5.0
233.08035	28.1
233.11697	11.8
233.15366	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.35529	2.7
55.01879	4.0
55.05508	4.6
55.15953	3.6
58.60135	2.3
67.05506	17.0
69.11050	2.9
71.05000	4.9
74.51645	2.7
75.35830	3.6
77.17801	3.2
77.39297	2.7
79.05495	19.8
81.03429	6.8
81.07061	18.2
83.04986	38.0
83.52048	3.4
91.05459	25.0
93.07040	18.6
95.04969	21.1
95.08629	12.8
99.04489	3.7
103.49561	3.1
105.07013	43.9
107.04948	18.0
107.08632	11.3
107.40710	3.3
108.57126	3.1
109.06515	72.0
115.05362	3.1
117.07013	19.5
119.08559	26.4
121.06506	29.2
121.10149	11.0
123.04427	5.7
123.11746	4.2
125.06055	4.4
128.06102	3.2
129.07001	12.6
130.07693	4.2
131.08560	29.2
133.06517	13.8
133.10101	7.4
135.04347	4.5
135.08032	21.7
137.05930	3.8
141.06982	5.8
143.08569	12.4
145.06488	19.9
145.10138	75.5
147.08090	6.7
147.11684	4.1
155.08603	5.8
158.07281	5.3
159.08044	7.6
159.11690	38.1
161.09752	4.0
163.11107	3.4
166.70796	3.1
169.10149	19.3
173.09621	80.1
173.13182	5.5
187.11174	65.6
187.14830	5.8
191.05327	14.7
191.10670	38.3
197.09706	6.7
201.09045	5.5
205.12190	6.9
206.42189	3.6
215.10719	39.2
215.14238	6.9
215.17891	4.2
218.05838	3.4
219.04811	4.1
233.05998	5.2
233.08051	18.6
233.11685	100.0
233.15253	40.4
233.18980	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
55.01877	3.7
55.05517	4.8
57.72113	2.4
67.05505	11.2
69.03434	69.8
69.07073	3.7
71.04999	2.8
79.05512	18.0
81.07044	22.1
83.08607	3.5
91.05505	19.8
93.07047	20.6
95.04969	11.3
95.08614	20.7
99.04462	4.0
105.07039	56.7
107.04948	9.9
107.08599	18.3
109.06517	11.4
109.10154	16.7
111.08130	2.3
117.07005	14.0
119.04953	3.6
119.08565	29.1
121.05729	2.5
121.06460	20.4
121.10122	11.5
123.08094	3.8
129.06973	5.7
130.07790	3.5
131.08565	37.6
133.06505	5.6
133.10150	21.3
135.08061	5.7
135.11707	4.5
141.07014	4.7
143.08543	13.3
144.09349	10.6
145.06480	14.9
145.10123	100.0
147.08005	5.0
147.11697	11.8
149.06021	3.1
154.07753	5.3
155.08522	3.7
158.07339	4.4
159.08014	11.9
159.11687	78.2
161.09669	3.1
161.13229	4.3
169.10092	32.0
171.11720	11.4
173.06027	4.5
173.09608	99.4
173.13235	18.6
175.07339	2.5
175.14812	3.9
177.09134	3.2
187.11159	99.4
187.14821	6.0
191.10591	5.2
192.06520	15.3
197.09608	10.3
197.13226	3.7
205.08621	4.3
215.10687	94.1
215.14301	12.5
215.17950	18.0
233.08044	9.8
233.11684	50.8
233.15361	40.9
233.18977	23.3
233.20978	2.6
235.50996	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
54.56129	0.4
56.05051	0.4
59.66061	0.5
62.36510	0.5
64.59988	0.5
65.12865	0.5
69.07084	0.5
72.08147	1.1
74.02461	1.7
74.06084	2.4
84.04504	4.8
84.35390	0.6
86.06067	3.3
86.09710	100.0
87.04449	3.8
88.04004	1.2
98.97577	0.6
102.05547	1.9
102.31705	0.5
104.07122	4.7
108.24103	0.5
117.22581	0.5
120.06565	7.9
124.07561	0.7
130.04988	3.6
139.47643	0.4
139.79816	0.5
154.93886	0.6
160.07570	43.6
162.05450	0.9
170.08112	1.8
173.01221	0.9
187.64722	0.5
191.02325	0.6
198.07655	0.7
215.13925	1.0
216.08751	2.8
232.86528	0.6
233.03156	0.5
233.09186	2.0
233.11507	3.1
233.15018	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.01887	0.4
51.41509	0.5
55.05505	0.4
56.05043	11.4
56.96579	0.6
57.03443	0.7
57.65818	0.4
58.06598	3.5
61.28020	0.4
62.95416	0.5
66.96049	0.4
69.03429	0.6
69.07073	0.8
72.08108	0.5
73.02925	0.7
74.06081	100.0
84.04497	4.0
85.02922	0.8
86.09705	21.1
87.04492	0.5
98.97598	2.0
101.07159	2.3
101.36662	0.5
116.98631	0.8
119.37083	0.5
121.06467	0.5
127.20914	0.5
132.10201	20.2
135.95479	0.5
136.08725	0.4
141.13982	0.6
142.12340	0.6
143.11789	0.5
156.10216	0.4
159.03207	0.6
161.04611	0.9
169.13382	1.9
170.05209	2.7
187.08685	1.1
187.14400	10.4
195.17195	0.5
200.04431	0.6
205.06238	0.5
215.08156	8.5
215.13864	3.7
233.06834	0.9
233.09337	3.7
233.12791	1.5
233.14867	11.1
234.05125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.05514	6.7
57.24200	2.2
59.60736	2.6
66.09534	2.7
67.05503	26.9
69.03461	2.8
69.07082	3.4
79.05492	39.5
81.03413	3.3
81.07078	19.6
87.86833	2.3
91.05482	17.9
93.07038	26.1
95.04981	5.4
95.08590	12.3
97.10188	4.1
102.28934	2.5
103.05482	2.5
105.07021	42.1
107.04964	46.3
107.08602	17.5
109.10163	6.4
111.08093	4.2
117.06997	14.5
119.08571	26.1
121.06505	26.5
121.10141	10.8
129.07036	3.9
131.08598	21.8
133.10152	14.2
135.08095	5.5
135.11688	2.9
145.10106	17.3
147.08116	3.4
159.08018	3.1
159.11673	4.1
171.11536	2.9
173.13258	16.2
187.14749	26.1
192.06633	6.1
197.13196	4.0
205.15842	5.3
215.14314	24.8
215.17969	4.1
233.13086	4.0
233.15349	100.0
233.18906	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.05505	6.5
61.54329	1.3
65.14841	1.1
66.93381	1.4
67.05513	20.5
69.07066	10.1
78.88873	1.5
79.05487	20.3
80.60851	1.3
81.07063	18.3
83.04977	1.4
83.08622	3.4
85.06519	1.2
90.91728	1.3
91.05477	49.7
93.07047	26.9
95.04958	6.6
95.08616	12.6
97.06527	1.9
102.67890	1.4
103.05450	1.7
105.07030	51.4
107.04961	8.8
107.08607	15.9
109.06514	3.5
109.10149	6.1
111.43513	1.3
117.07030	15.0
119.04954	1.7
119.08577	40.4
121.06487	9.3
121.10134	6.1
123.07984	1.5
129.07019	6.0
131.08562	31.7
133.06438	2.1
133.10120	11.3
135.08060	3.1
135.11671	5.5
143.08571	2.2
145.10132	16.7
147.07997	1.6
147.11702	3.1
149.05965	10.2
149.13280	2.5
151.03256	1.9
155.08542	1.7
159.11650	3.2
160.48322	1.7
169.10120	5.2
171.11682	8.5
173.13274	10.1
187.14870	11.1
192.06566	36.0
197.13255	8.4
205.15822	7.0
215.14334	6.6
215.17900	1.8
233.15346	100.0
233.18997	5.1
233.22650	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36730	1.5
53.88249	1.2
55.05515	3.6
57.07066	2.9
67.05515	14.8
69.07066	8.3
71.04979	3.0
79.05495	21.7
81.07060	25.3
83.08628	3.2
85.06551	1.8
91.05477	16.7
93.07047	35.7
95.04960	2.5
95.08617	22.7
97.06547	6.6
99.08078	3.9
105.06425	1.7
105.07005	14.0
107.08593	29.1
109.10168	9.4
111.08083	4.0
117.06999	3.7
119.08601	12.5
121.10147	29.3
123.08080	1.9
123.11667	3.6
125.09650	2.4
131.08580	15.3
133.10123	14.0
135.11688	43.0
137.09665	1.8
145.10117	18.4
147.11743	11.7
149.09648	3.2
149.13255	20.2
151.11198	2.9
159.11688	20.0
161.13216	2.7
163.11099	2.1
173.13242	15.8
173.92987	1.5
175.14861	2.1
187.14786	2.6
189.16335	2.6
205.19469	2.2
205.68542	1.6
215.17955	49.5
233.15285	8.3
233.18996	100.0
233.22639	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.46515	3.0
52.68126	2.7
54.30551	2.8
55.05504	7.3
64.50016	4.0
66.58051	3.2
67.05511	50.4
69.07069	7.4
71.04999	3.7
72.32177	3.3
72.32579	3.0
79.05502	28.8
81.07062	50.3
83.08600	3.8
91.05473	15.9
92.21225	4.5
93.07041	39.4
95.08615	49.3
105.07021	20.0
106.64148	3.2
107.04947	3.6
107.08614	34.6
109.10146	19.5
111.08107	5.5
119.08600	8.6
121.10136	28.1
123.11694	8.1
131.08568	16.5
133.10129	22.4
135.11713	45.5
136.27408	3.3
139.95567	3.1
144.21458	3.6
145.10103	15.5
147.11678	16.5
149.13254	16.8
151.14804	5.4
157.10120	3.8
159.11659	20.9
160.38805	4.3
173.13269	15.3
180.42081	3.7
183.91316	3.9
187.14786	6.6
192.06554	6.8
215.17941	48.0
224.08723	4.4
233.15373	19.2
233.19017	100.0
233.22488	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36730	1.5
53.88249	1.2
55.05515	3.6
57.07066	2.9
67.05515	14.8
69.07066	8.3
71.04979	3.0
79.05495	21.7
81.07060	25.3
83.08628	3.2
85.06551	1.8
91.05477	16.7
93.07047	35.7
95.04960	2.5
95.08617	22.7
97.06547	6.6
99.08078	3.9
105.06425	1.7
105.07005	14.0
107.08593	29.1
109.10168	9.4
111.08083	4.0
117.06999	3.7
119.08601	12.5
121.10147	29.3
123.08080	1.9
123.11667	3.6
125.09650	2.4
131.08580	15.3
133.10123	14.0
135.11688	43.0
137.09665	1.8
145.10117	18.4
147.11743	11.7
149.09648	3.2
149.13255	20.2
151.11198	2.9
159.11688	20.0
161.13216	2.7
163.11099	2.1
173.13242	15.8
173.92987	1.5
175.14861	2.1
187.14786	2.6
189.16335	2.6
205.19469	2.2
205.68542	1.6
215.17955	49.5
233.15285	8.3
233.18996	100.0
233.22639	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.48082	2.6
55.05522	13.2
57.07073	5.8
58.98837	3.0
62.00603	3.2
64.98760	3.1
67.05520	37.8
69.07064	6.4
75.33454	3.1
79.05499	61.3
79.40788	3.0
81.07056	39.3
83.04996	4.1
83.08638	6.7
85.06532	4.7
91.05492	34.0
91.09836	3.3
93.07047	53.9
95.04974	7.5
95.08606	40.9
97.06499	3.5
97.10207	5.8
103.05511	4.0
105.07044	45.8
107.04936	36.3
107.08619	44.5
109.10174	23.8
111.08095	3.5
114.19963	3.6
117.07030	14.8
119.08602	29.6
119.09335	3.6
121.06529	4.7
121.10148	52.0
123.08078	4.2
123.11690	14.3
125.09623	5.6
131.08574	37.9
133.10138	22.7
135.08080	14.1
135.11711	56.6
145.10120	33.4
147.11708	14.0
149.05960	4.3
149.09654	7.1
149.13235	29.4
155.08582	3.9
159.11714	23.1
171.11684	3.4
173.13269	25.3
187.14832	38.4
192.06554	19.9
205.15781	3.6
215.14429	39.0
215.17946	51.7
233.15457	51.4
233.18994	100.0
233.22658	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
55.90426	3.3
57.48293	4.0
65.08619	4.1
67.05505	54.8
69.07058	10.0
79.05484	34.9
81.07060	60.4
89.28355	3.9
91.05462	10.2
93.07056	44.6
95.08607	53.4
105.07039	8.3
107.08607	40.2
109.10136	19.4
109.74571	4.3
111.93182	4.0
117.07024	5.1
121.10143	100.0
131.08487	4.7
135.11684	68.8
145.10069	4.9
147.11659	5.1
149.13258	23.0
173.13274	4.4
192.06528	9.6
197.13422	4.2
208.95811	4.8
233.15317	19.0
233.19023	6.6
233.22632	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
56.21965	1.5
57.07077	1.9
61.36014	1.7
66.51816	1.9
67.05513	40.4
69.07069	4.1
71.08633	2.0
79.05498	22.9
81.07059	36.0
83.08615	8.0
93.07033	39.6
95.08609	38.4
97.10159	2.5
106.01498	1.9
107.08595	27.8
109.10152	16.9
121.10136	100.0
135.11687	72.1
137.13231	4.1
142.51581	2.0
149.13240	16.2
151.14801	7.2
163.14807	2.2
192.06566	9.0
233.19022	4.5
233.22615	72.3
234.46823	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
55.05514	5.9
57.07065	4.2
67.05513	53.2
68.67400	2.5
69.07062	13.0
79.05504	32.3
81.07062	72.7
83.08623	15.4
91.05485	4.2
92.19639	2.5
93.07037	49.2
95.08604	59.3
97.10163	3.3
107.08579	30.8
109.10145	20.3
119.08563	3.9
121.10143	100.0
121.11014	4.5
123.11729	5.0
135.11693	69.3
137.13246	5.9
149.05991	4.7
149.13269	29.7
151.14769	12.0
163.08707	3.0
163.14888	3.3
192.06558	16.3
233.15361	9.9
233.19121	6.5
233.20175	3.5
233.22606	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.076
Annotation	Mimosamycin
Peak:m/z	Relative Intensity
54.06378	0.2
55.05511	0.4
56.96523	0.2
60.77567	0.3
69.07056	0.4
72.08163	4.0
77.14178	0.3
92.96452	0.4
98.02401	0.4
107.04976	0.3
120.95909	0.3
124.07584	0.4
128.04947	0.6
136.06143	0.3
142.08609	1.1
147.19844	0.3
152.07120	2.9
156.04454	0.3
161.05975	1.5
170.08128	4.5
173.04668	0.5
188.07060	5.6
188.09152	4.4
188.11722	0.4
191.09419	1.1
206.08121	100.0
216.06560	6.4
216.08612	0.9
234.07599	60.3
234.11060	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0759
Annotation	Mimosamycin
Peak:m/z	Relative Intensity
64.27068	0.4
66.31603	0.4
68.59667	0.4
86.06081	0.5
97.27506	0.4
109.23994	0.5
147.04440	1.7
149.05933	0.5
158.46912	0.4
162.05527	0.5
168.10208	0.5
174.05524	1.7
175.06325	0.8
188.07066	8.6
188.08836	0.7
190.08662	2.0
194.26503	0.5
206.08134	1.8
216.06561	46.8
234.07614	100.0
234.11406	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36724	1.3
53.62932	1.7
56.05042	19.8
57.03432	1.6
58.06587	2.5
69.03428	11.7
70.06585	2.7
71.04972	1.8
72.04523	3.0
72.08155	12.6
73.02903	3.5
74.06085	21.4
84.04504	11.2
84.08142	18.0
85.02893	10.7
86.06061	3.9
87.03204	10.3
90.05539	29.2
97.02888	45.4
98.06065	6.9
99.04447	9.1
102.05546	54.3
104.07040	1.7
106.06522	1.9
108.04509	1.8
112.03967	16.4
116.07123	2.6
119.01886	2.3
122.06026	13.5
122.64825	1.7
124.07612	3.4
126.05536	15.8
127.03876	17.2
128.07042	3.8
132.06613	2.5
133.03470	8.4
138.05481	2.9
140.07028	3.2
143.05760	27.5
144.06551	3.9
145.04984	1.8
152.07019	8.0
156.06538	10.3
159.63695	1.9
161.06841	12.1
168.06569	18.8
170.08105	29.6
174.07573	6.6
187.04556	3.6
188.09157	38.4
198.11339	2.4
206.10149	2.4
216.06830	3.6
216.08679	100.0
216.12228	59.2
234.04532	2.3
234.07648	3.2
234.09695	78.8
234.13242	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36724	1.3
53.62932	1.7
56.05042	19.8
57.03432	1.6
58.06587	2.5
69.03428	11.7
70.06585	2.7
71.04972	1.8
72.04523	3.0
72.08155	12.6
73.02903	3.5
74.06085	21.4
84.04504	11.2
84.08142	18.0
85.02893	10.7
86.06061	3.9
87.03204	10.3
90.05539	29.2
97.02888	45.4
98.06065	6.9
99.04447	9.1
102.05546	54.3
104.07040	1.7
106.06522	1.9
108.04509	1.8
112.03967	16.4
116.07123	2.6
119.01886	2.3
122.06026	13.5
122.64825	1.7
124.07612	3.4
126.05536	15.8
127.03876	17.2
128.07042	3.8
132.06613	2.5
133.03470	8.4
138.05481	2.9
140.07028	3.2
143.05760	27.5
144.06551	3.9
145.04984	1.8
152.07019	8.0
156.06538	10.3
159.63695	1.9
161.06841	12.1
168.06569	18.8
170.08105	29.6
174.07573	6.6
187.04556	3.6
188.09157	38.4
198.11339	2.4
206.10149	2.4
216.06830	3.6
216.08679	100.0
216.12228	59.2
234.04532	2.3
234.07648	3.2
234.09695	78.8
234.13242	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0981
Annotation	(R)-8-Methylsulfinyloctyl isothiocyanate
Peak:m/z	Relative Intensity
50.55669	0.4
51.42661	0.4
51.94879	0.4
52.27607	0.4
52.74470	0.4
53.03963	0.4
56.05025	2.2
58.59936	0.4
60.79683	0.4
69.07062	1.9
70.06582	1.9
72.08132	0.7
73.34673	0.4
74.06047	0.6
84.08129	0.9
85.02911	0.6
86.06050	2.5
87.04465	1.7
90.05586	0.5
97.02930	0.7
98.06065	4.1
99.04456	0.7
100.77647	0.5
102.05531	2.1
102.09151	0.5
103.69383	0.5
104.06593	0.6
107.01396	0.5
115.96387	0.9
116.07098	5.3
124.07632	0.6
127.03887	0.6
128.07065	0.6
130.08650	2.8
131.01620	2.8
136.06151	0.9
137.05769	0.5
159.04697	2.0
160.06165	11.0
170.11635	0.7
173.06943	4.8
174.07741	4.6
187.08517	2.2
188.07448	0.6
188.09239	7.5
188.12785	0.6
202.07303	0.7
203.07979	1.9
206.08099	2.4
216.06740	1.3
216.08754	16.0
234.07823	4.8
234.09824	100.0
234.13139	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49339	0.2
51.14568	0.2
67.84858	0.2
71.14771	0.2
77.06593	0.2
79.81306	0.2
109.06482	0.3
111.30245	0.2
118.74503	0.3
129.05829	0.2
133.30905	0.2
146.06015	1.0
173.08324	0.3
174.05548	1.0
175.06235	2.2
188.07047	4.9
190.08617	21.3
202.08597	2.1
203.09473	0.3
204.06563	1.4
205.07295	0.3
216.06500	2.0
216.15918	0.3
218.05942	0.5
218.08116	22.1
219.08899	44.9
234.11240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1124
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
50.49339	0.2
51.14568	0.2
67.84858	0.2
71.14771	0.2
77.06593	0.2
79.81306	0.2
109.06482	0.3
111.30245	0.2
118.74503	0.3
129.05829	0.2
133.30905	0.2
146.06015	1.0
173.08324	0.3
174.05548	1.0
175.06235	2.2
188.07047	4.9
190.08617	21.3
202.08597	2.1
203.09473	0.3
204.06563	1.4
205.07295	0.3
216.06500	2.0
216.15918	0.3
218.05942	0.5
218.08116	22.1
219.08899	44.9
234.11240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19619	0.9
62.47486	0.8
63.95547	1.0
67.20536	1.1
69.03419	2.0
70.06583	5.8
74.59375	1.0
78.61710	0.8
84.08124	3.4
86.06070	11.4
87.04465	15.2
90.05531	1.3
98.06056	52.9
99.04464	4.8
101.06055	1.1
101.35357	0.9
104.07111	1.1
116.07091	100.0
130.08678	1.8
136.06175	25.6
137.93622	1.0
138.47916	1.0
148.09830	1.1
156.10149	1.7
164.64153	1.0
170.11855	1.3
174.11240	1.2
184.09720	3.9
188.12862	1.6
216.06531	1.5
216.08601	1.6
216.12354	6.4
234.07776	3.5
234.09836	76.1
234.13373	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.3
57.07064	1.1
58.06609	1.5
69.07071	24.8
70.64655	1.0
72.08162	9.3
81.07074	1.2
81.58363	1.3
85.72697	1.3
105.07132	1.1
114.49067	1.1
121.06512	2.8
123.04427	11.4
128.06252	1.2
129.06998	14.2
131.04974	2.8
133.06534	1.9
136.06242	6.9
137.06013	5.6
143.04988	6.7
143.08591	2.8
145.06548	1.7
147.04445	7.5
148.05225	2.3
149.05989	16.7
157.06474	12.4
160.05240	2.4
161.05974	71.4
162.06815	3.0
163.07585	1.8
164.07066	86.1
165.78496	1.3
170.07324	1.8
171.08049	6.4
171.11649	11.0
175.07542	100.0
178.07504	1.4
184.08885	1.4
187.89664	1.3
188.08362	5.3
189.09088	9.4
199.11198	15.0
206.06970	7.4
214.13959	1.4
217.12241	79.3
234.06572	31.8
234.11137	2.9
234.14980	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1486
Annotation	Methylphenidate
Peak:m/z	Relative Intensity
51.05632	1.1
55.05513	7.1
55.22714	0.9
57.07066	1.6
58.06605	2.4
61.24520	1.3
69.07072	24.0
72.08163	2.8
79.05486	1.6
81.07060	2.1
86.09716	1.6
95.08598	1.9
96.08133	4.9
100.19497	1.1
103.05443	1.4
105.07060	8.9
107.08571	1.5
108.08134	1.2
115.05436	2.3
121.06496	4.4
123.04436	14.0
129.07013	10.5
131.04913	9.1
136.06187	2.7
137.05959	6.1
137.09628	1.6
143.04900	7.7
143.08588	4.4
145.06461	2.1
146.06024	4.4
147.04366	8.7
148.05215	10.1
149.05972	49.5
151.07513	1.8
157.06477	15.9
160.05138	1.7
160.11168	1.6
161.05965	76.6
161.07317	2.6
162.06712	10.3
163.07549	1.6
164.07057	96.9
170.07237	2.3
171.08035	7.2
171.11665	13.6
175.07541	87.3
178.07745	1.2
178.12315	5.4
184.08789	1.8
188.08321	4.5
189.09137	6.8
199.11154	15.8
206.08194	38.5
216.06628	1.2
217.10094	2.3
217.12230	85.2
234.07855	18.5
234.11240	6.6
234.14902	100.0
234.18387	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1487
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
52.49098	0.2
55.56380	0.2
58.02114	0.2
85.60050	0.2
102.93730	0.2
136.11375	0.2
161.05983	1.1
164.07062	1.0
170.68007	0.2
175.07545	1.4
176.06999	0.2
177.07826	2.3
178.08591	0.8
206.08035	0.8
217.12167	0.8
234.14879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81271	0.4
53.03954	1.9
55.01878	6.9
57.03440	5.8
61.02934	5.0
67.05474	0.4
69.03434	38.7
70.06580	0.8
71.04989	3.7
73.02919	100.0
80.68334	0.4
81.03423	14.7
85.02907	71.9
87.04472	1.9
91.03955	25.8
93.07033	0.5
97.02893	30.2
99.04454	9.6
101.02400	2.5
103.03953	2.7
109.02884	10.8
111.04479	0.6
115.03954	2.1
127.03911	45.5
134.05818	0.5
145.04953	15.4
147.04427	0.9
149.07137	0.9
163.06032	0.7
217.07066	3.9
235.07744	3.7
235.10800	5.6
235.14542	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0964
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
65.55116	1.3
79.05484	2.4
81.07059	2.8
83.98715	1.2
84.62481	1.0
91.05505	2.4
93.07043	2.1
95.04945	1.6
95.08604	5.7
107.04978	1.4
109.10201	1.3
111.24319	1.2
119.08572	1.6
121.06496	1.7
121.10056	1.5
128.06177	1.5
131.04892	1.7
133.06456	1.4
135.11781	1.8
139.82413	1.2
144.05711	1.3
145.06514	2.6
150.06734	2.3
151.07539	2.1
157.07961	1.3
158.07278	9.0
159.04402	1.8
159.08107	2.0
160.08824	10.9
161.05986	2.0
163.07600	1.9
165.09099	7.8
174.06763	28.3
176.08362	18.4
177.05463	4.7
178.06252	1.6
179.10686	1.5
189.09106	69.0
191.06976	1.6
191.10701	2.3
192.07816	13.5
193.04977	5.0
193.08531	1.7
202.06210	2.1
205.05022	2.8
207.10165	100.0
210.53676	1.3
217.19498	3.0
220.07298	23.8
235.09641	91.5
235.20508	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03626	0.5
55.01893	1.0
57.03439	1.0
61.02923	0.8
69.03434	6.6
71.05002	1.0
73.02919	0.7
75.95061	0.7
79.05982	0.6
81.03412	4.2
83.04982	0.8
85.02906	19.7
87.04474	1.1
95.04964	1.1
97.02891	4.0
99.04471	0.8
109.02880	2.4
111.04405	0.9
124.84523	0.6
127.03922	5.4
131.06047	1.1
134.05984	0.7
145.04942	1.5
152.07045	6.6
157.06461	2.6
161.05968	1.3
164.07048	100.0
175.07579	1.0
176.07036	0.6
189.09158	0.9
206.08109	31.3
217.06873	5.5
217.09671	8.0
218.08257	1.2
222.35785	0.7
235.08076	1.3
235.10774	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.68564	1.2
55.01877	7.4
55.89772	1.6
57.85059	1.2
60.00977	1.1
60.06618	1.1
63.87784	1.4
66.28782	1.2
69.07092	1.6
73.02909	5.3
81.07055	2.6
91.05461	1.7
92.20940	2.8
92.21478	3.4
105.07047	11.5
115.05412	1.4
117.07021	3.2
119.08585	8.7
121.10127	1.6
127.80300	1.3
129.06998	5.6
131.08543	7.1
131.26407	1.4
131.30150	1.3
142.07779	5.9
143.08594	13.3
145.10121	100.0
147.08022	3.1
147.11684	22.0
156.09328	18.6
156.20979	1.4
157.10130	35.3
159.11691	13.6
161.06030	1.6
171.11678	54.0
173.13252	18.4
175.07530	2.6
176.08321	1.6
181.10117	7.1
187.11201	8.9
189.12755	5.8
199.11205	15.7
204.07813	1.6
205.12297	14.4
217.12250	33.2
235.09647	6.5
235.13239	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Caulolactone A
Peak:m/z	Relative Intensity
50.58052	1.3
53.03937	1.7
55.01870	1.8
55.05513	9.1
57.07086	1.6
58.03115	1.2
67.05506	32.1
69.03429	53.9
69.07074	11.1
79.05499	38.8
81.03456	1.6
81.06619	2.6
81.07059	46.7
83.04955	3.3
83.08629	7.3
85.06539	3.1
86.09698	2.8
91.05488	31.5
93.07042	100.0
93.07635	3.4
95.04962	8.6
95.08619	25.3
97.06538	8.2
97.10133	1.5
99.43829	1.4
105.07047	16.4
107.08588	38.9
109.06512	15.2
109.10145	11.4
111.08073	2.4
116.33224	1.5
117.07018	1.8
119.08566	15.5
121.06448	2.1
121.10136	33.3
123.04455	2.1
123.08039	9.9
123.11689	2.5
129.06984	1.9
131.08548	6.2
133.10133	34.1
135.11681	9.5
137.09628	2.5
137.13281	2.8
143.08545	3.0
147.08220	1.8
147.11707	8.5
149.09616	2.5
151.11134	2.6
157.10194	4.7
161.13228	3.8
175.05939	1.7
175.11240	2.2
175.14824	8.3
183.08476	1.6
189.16420	5.7
199.14845	3.4
217.15862	7.6
217.19502	3.3
235.14862	3.4
235.16878	58.4
235.20511	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.93824	2.9
55.05510	6.0
57.77680	3.7
67.05513	40.3
69.07056	8.2
72.66608	3.8
79.05490	62.4
81.07050	37.4
83.08616	4.7
86.09669	5.2
91.05472	24.4
93.07037	89.8
95.04934	7.0
95.08586	35.5
105.07050	14.9
107.08594	55.0
109.10166	5.9
119.08572	21.3
121.10128	67.1
131.08533	7.0
133.10100	21.6
135.08038	5.8
135.11697	7.2
147.11676	6.1
149.09790	4.2
157.10168	4.8
175.14729	5.6
189.16316	6.7
190.41795	3.8
199.14792	9.1
215.55190	3.6
217.15915	17.3
235.16890	100.0
235.20535	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03957	0.9
55.05519	2.4
67.05509	18.9
69.03439	2.1
69.07070	6.9
69.51863	0.8
71.04992	2.0
73.28741	0.9
79.05500	30.5
81.07070	15.6
83.04977	1.4
83.08624	1.9
85.06532	1.4
91.05479	22.8
93.07043	100.0
95.04971	7.4
95.08604	12.1
97.10169	1.2
99.08111	1.1
102.13525	0.9
105.04452	1.3
105.07022	7.6
107.04989	1.1
107.08605	24.3
109.06483	1.1
109.10169	6.9
117.06999	1.9
119.08589	9.7
121.10142	32.0
123.11725	1.8
129.70123	1.0
131.08627	1.4
133.10158	9.8
135.08032	4.3
135.11678	9.1
147.11751	1.3
149.09619	2.0
149.13182	1.2
153.09077	1.3
157.10104	2.5
161.09735	1.1
161.13234	1.2
171.11676	1.0
175.14767	4.4
184.97801	1.1
189.12730	1.8
189.16373	2.5
199.14716	2.6
217.15892	5.2
217.19524	1.3
235.09674	2.3
235.16899	27.6
235.20512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
51.59869	2.4
53.93317	2.8
55.05523	4.7
56.12651	3.0
67.05502	14.7
68.98705	2.8
69.07069	12.6
75.23461	3.2
79.05503	38.6
81.07072	24.4
83.08599	5.5
91.05482	36.2
93.07050	100.0
95.04958	7.4
95.08629	23.7
105.07035	5.5
107.08604	57.1
109.10159	3.3
117.07099	2.8
119.08610	15.6
121.10142	46.8
133.10143	20.0
135.11661	3.6
143.08635	3.1
143.58623	3.2
147.11728	5.2
157.10104	3.4
217.15829	5.2
235.14914	5.2
235.16910	46.9
235.62732	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
55.05513	11.0
57.03477	1.8
63.60438	1.7
67.05508	37.3
69.03442	3.2
69.07062	9.7
71.04985	1.8
72.56567	1.5
79.05495	51.4
81.03414	2.1
81.07059	30.9
83.04973	3.3
83.08615	2.2
85.06541	2.1
91.05479	30.7
93.07040	100.0
95.04974	14.7
95.08599	24.8
97.06544	2.4
97.10182	3.1
105.04518	4.1
105.07016	14.8
107.04959	4.6
107.07919	2.8
107.08597	47.1
109.06512	9.6
109.10152	11.6
111.08131	1.9
117.07072	3.5
119.08585	19.4
121.06514	2.1
121.10135	51.3
123.08076	2.8
129.07042	3.4
131.08585	13.3
133.10124	21.6
135.08014	4.7
135.11705	12.9
137.09656	3.1
142.02406	2.1
147.11673	8.6
149.09583	3.1
157.10126	3.7
171.11769	2.6
173.13277	4.0
174.06804	7.6
175.05772	2.0
175.14839	9.3
179.10707	2.4
189.16321	4.2
199.14812	9.2
202.06300	4.6
217.12172	1.9
217.15829	11.2
217.19473	2.0
218.11226	3.6
235.09512	18.8
235.16928	79.5
235.20506	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
51.54155	1.4
53.03956	2.4
55.01868	2.8
55.05516	15.9
57.03440	19.8
57.07075	4.0
59.24783	1.5
59.38463	1.4
67.05506	31.4
69.07059	16.4
71.04990	3.3
77.51482	1.8
79.05495	59.5
81.07053	42.8
82.21198	1.7
83.04990	4.1
83.08621	7.8
85.06522	8.3
86.09693	2.1
91.05469	45.7
92.03082	1.9
93.07038	100.0
95.04990	13.4
95.08604	47.8
95.53674	1.7
97.06536	6.8
97.10132	1.7
99.04466	2.3
99.08071	2.4
105.04501	2.3
105.07014	25.6
107.04955	8.3
107.08589	99.1
109.06525	27.7
109.10130	13.4
111.08092	7.0
113.09631	2.0
117.07015	7.2
119.08561	38.9
121.10134	54.3
123.08057	4.2
123.11658	2.9
125.05968	2.8
129.06987	3.2
131.08569	7.3
133.10104	29.6
135.08025	2.7
135.11656	14.5
137.09593	3.2
137.13225	1.9
143.08551	3.7
145.10103	4.0
147.08072	6.9
147.11678	11.1
157.10118	7.4
161.09613	7.3
161.13240	9.6
163.11157	7.1
165.09048	2.1
171.11646	2.8
173.13298	3.5
175.14856	16.5
179.14294	18.7
189.09093	4.4
189.16397	7.3
193.05208	2.0
199.14859	13.7
217.15941	15.0
217.19502	7.1
235.09467	2.6
235.16873	75.8
235.20573	10.1
246.24565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.01883	1.6
55.05510	3.6
57.07074	1.5
60.32348	1.6
61.74811	1.6
62.64681	1.5
67.05511	22.6
69.07055	6.5
79.05498	25.9
81.07047	16.6
83.04971	2.0
83.08621	4.1
91.05479	21.9
92.05686	1.7
93.07040	100.0
95.04951	8.7
95.08578	13.1
105.07040	8.0
107.08603	17.8
109.06474	1.9
109.10163	7.3
111.04472	2.4
119.07870	1.5
119.08559	13.0
121.06458	2.1
121.10143	25.9
123.04424	21.9
123.08063	3.0
129.07028	2.4
131.08575	2.5
133.06499	2.0
133.10106	17.8
135.08096	2.7
135.11690	8.0
143.08607	3.4
145.10143	3.6
147.08035	6.8
147.11673	11.2
149.13300	1.7
151.11121	2.2
161.09586	6.4
171.11720	2.2
175.14816	2.5
179.10751	1.7
189.16411	11.7
199.14836	6.0
207.17537	3.1
217.15817	7.1
226.96527	1.9
235.09631	3.8
235.16887	30.0
235.20485	2.3
248.66577	2.1
258.80746	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Confertifoline
Peak:m/z	Relative Intensity
55.62193	0.9
57.07079	27.4
67.05498	2.2
79.05503	1.9
81.07048	4.9
83.08622	1.0
86.42332	0.9
91.05487	2.0
93.07040	3.9
95.08616	5.1
107.08593	4.7
107.66164	0.9
108.08200	0.9
109.10152	1.8
119.08540	1.4
121.10102	4.0
123.04398	1.6
133.10124	1.6
157.28032	1.0
161.13206	1.0
174.06691	3.8
179.10646	29.9
201.04480	1.2
217.12225	1.0
217.19475	2.2
235.09659	8.5
235.16905	100.0
235.20604	5.0
244.94623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
55.05506	8.7
55.45546	1.7
56.12529	1.8
57.03431	2.5
61.08652	1.8
67.05507	35.7
69.07060	16.7
70.56255	1.8
71.04974	2.5
79.05493	67.7
81.03398	4.3
81.07052	48.0
83.04976	2.4
83.08600	8.7
85.06519	4.3
91.05472	40.4
93.07038	97.2
95.04965	15.9
95.08603	33.4
97.06516	4.3
105.04507	2.4
105.07033	25.3
107.04940	20.4
107.08592	75.0
109.06509	8.3
109.10188	15.0
109.52451	1.6
111.52288	1.9
117.07017	12.3
119.08566	34.2
119.74748	2.1
121.06477	8.6
121.10128	77.6
123.08051	3.8
123.60249	2.1
125.09567	1.9
126.96706	2.1
129.07014	6.8
131.08546	20.6
133.10132	29.5
135.08044	11.9
135.11710	19.7
137.09592	8.7
143.08513	3.9
145.10094	10.1
147.08102	4.5
147.11685	8.0
149.09644	15.1
149.13258	2.7
153.09084	2.5
157.10115	8.0
161.09558	3.4
161.13217	4.5
171.11642	8.2
173.13251	10.7
175.11186	2.9
175.14816	11.6
189.12753	2.5
189.16367	12.0
193.12254	3.1
199.14818	19.8
214.60616	1.8
217.08562	3.4
217.15840	21.4
219.19835	1.9
235.07791	2.3
235.13158	9.4
235.15179	3.7
235.16905	100.0
235.20430	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.01871	3.1
55.05516	17.6
67.05508	40.9
69.03448	4.8
69.07065	17.0
71.05009	20.3
79.05074	3.8
79.05498	70.1
79.15334	2.4
81.03423	3.6
81.07057	84.4
83.04990	6.6
83.08626	6.6
86.09695	4.0
91.05473	41.8
93.07037	94.9
94.30874	3.2
95.04978	25.2
95.08590	41.9
97.06512	11.6
97.10197	4.5
99.04457	3.2
99.08087	14.6
105.07024	40.1
107.04947	91.5
107.08595	62.7
109.06492	22.7
109.10149	25.9
117.07005	6.5
119.08565	42.3
121.06502	19.1
121.10139	63.7
123.04409	5.3
123.08042	5.5
125.09663	6.0
127.11185	17.3
129.06979	4.4
131.04887	3.2
131.08566	27.2
133.06467	7.0
133.10127	28.3
135.08047	11.0
135.11687	17.5
137.05992	5.5
137.09589	14.8
142.15755	2.9
143.08553	10.6
145.10136	20.2
147.08034	6.4
147.11710	24.3
149.09622	75.4
149.13274	4.0
151.11185	5.0
157.06410	3.7
157.10097	17.3
159.11658	5.8
161.09589	12.7
161.13263	7.2
163.11143	4.9
171.03189	2.8
171.11702	18.2
173.13225	6.3
175.11136	4.8
175.14769	15.0
179.10637	4.0
189.12726	12.2
189.16362	12.0
199.11121	3.8
199.14795	20.3
203.33293	3.3
207.06441	4.0
217.12357	6.4
217.15842	34.5
235.09604	10.3
235.13144	14.0
235.14949	7.1
235.16875	100.0
235.20435	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
50.42509	1.0
51.65638	1.0
55.05507	1.1
56.77135	1.0
67.05505	19.2
69.07082	2.0
74.48157	1.2
79.05502	19.2
81.07058	6.7
83.08594	1.3
91.05479	21.4
93.07043	100.0
95.04964	7.3
95.08600	8.2
97.10155	1.8
105.07045	5.9
107.08585	18.0
119.08568	6.5
121.06523	1.2
121.10145	23.0
123.08035	1.7
131.08525	2.3
133.10112	7.6
135.08081	2.0
135.11697	2.6
147.11693	2.3
163.66724	1.3
165.42575	1.5
171.11682	1.7
175.14877	1.7
189.16389	1.6
199.14816	2.2
217.15933	2.6
235.16879	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75005	0.2
57.35555	0.3
58.06601	1.7
65.30813	0.3
71.39864	0.3
86.09709	100.0
92.20915	0.3
97.57312	0.3
131.21172	0.3
212.43211	0.3
235.18030	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Lidocaine
Peak:m/z	Relative Intensity
54.16985	0.2
58.06607	2.4
67.14592	0.3
76.00394	0.3
83.66167	0.3
86.09707	100.0
128.19447	0.4
128.95619	0.4
157.28876	0.4
175.02538	0.4
178.07845	2.5
179.08540	9.0
184.17871	0.4
189.07088	0.7
189.09120	1.4
191.08542	1.5
206.07245	0.5
207.08051	11.9
209.22816	0.4
209.71915	0.3
210.46927	0.4
217.06522	0.8
220.05164	2.5
228.60168	0.4
235.07523	35.7
235.18034	17.3
237.70490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06609	2.1
74.08566	0.3
83.20889	0.4
84.08258	0.4
86.09708	100.0
106.94353	0.3
144.07326	0.4
160.00670	0.4
235.07553	0.7
235.18031	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48272	0.3
56.93546	0.3
58.06605	2.2
58.30125	0.3
66.39782	0.3
66.48022	0.4
86.09711	100.0
157.63750	0.4
172.18921	0.4
206.95599	0.3
235.18047	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21869	0.1
58.06606	2.4
74.88361	0.1
79.05447	0.2
86.09705	100.0
91.78238	0.2
103.18012	0.2
143.28795	0.1
207.08029	0.2
216.56059	0.2
220.05193	0.7
235.07495	2.2
235.18034	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50951	0.3
52.89251	0.3
58.06602	2.4
61.97498	0.2
64.67175	0.2
86.09712	100.0
149.22847	0.3
207.08307	0.3
235.07614	0.4
235.18051	16.2
253.19431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	2.7
66.87047	0.4
71.05002	0.6
79.88583	0.5
86.09708	100.0
87.31398	0.5
113.86338	0.5
149.09651	0.7
170.78969	0.5
217.15767	0.5
235.07246	0.6
235.18063	19.7
257.28976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06606	2.3
82.45351	0.2
86.09707	100.0
92.20969	0.2
143.95056	0.2
178.07767	0.3
179.08609	0.9
191.08490	0.2
200.16833	0.2
207.08072	1.6
235.07564	6.0
235.18036	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.4
58.06855	0.4
65.18450	0.3
72.09109	0.4
78.33366	0.4
81.37384	0.4
86.09710	100.0
93.07036	0.7
95.08598	0.5
105.07047	0.8
107.08603	0.5
121.06484	0.8
133.10164	0.5
156.34190	0.5
162.06306	0.5
207.08200	0.5
235.07663	0.7
235.18050	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00148	0.2
58.06615	2.1
61.18853	0.2
86.09715	100.0
86.20662	0.3
162.06264	0.5
176.07899	0.4
200.11542	0.3
218.12488	0.7
235.15480	1.0
235.18036	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85939	0.4
58.06596	2.2
59.89045	0.4
86.09709	100.0
114.78082	0.4
174.54442	0.4
178.07774	0.5
179.08560	2.9
188.94598	0.4
191.08560	0.4
207.07994	3.5
220.05240	0.8
235.07507	11.0
235.18056	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06600	2.7
66.87047	0.4
71.05002	0.6
79.88583	0.5
86.09708	100.0
87.31398	0.5
113.86338	0.5
149.09651	0.7
170.78969	0.5
217.15767	0.5
235.07246	0.6
235.18063	19.7
257.28976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47745	0.2
58.06600	2.4
59.06949	0.2
59.83447	0.3
86.09712	100.0
91.29307	0.3
92.21495	0.3
100.57796	0.3
108.33259	0.3
152.33562	0.3
161.15340	0.3
176.07898	0.3
186.19215	0.3
193.86206	0.3
203.01201	0.3
235.18053	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05516	11.3
56.67747	2.1
57.07075	10.5
59.76056	1.8
64.54279	1.8
65.03948	2.3
67.05509	63.1
67.24575	1.9
69.07066	18.7
71.08629	3.2
78.30490	2.0
79.05501	34.2
81.07062	100.0
83.04994	3.4
83.08627	15.7
85.06560	9.7
85.10202	2.2
91.05468	31.1
93.07042	60.3
94.23065	2.2
95.04975	5.3
95.08604	86.4
97.06525	10.9
97.10130	4.2
99.08115	4.8
99.13445	2.2
105.07019	16.9
107.08598	27.0
109.06530	2.8
109.10162	26.9
110.67154	2.2
111.08092	3.4
113.09653	3.8
117.07002	4.7
119.08586	26.6
121.10127	52.8
123.08105	3.2
123.11721	24.7
127.11234	2.5
131.08543	3.5
133.10106	24.1
135.11659	22.6
137.09602	4.3
137.13260	18.5
147.11722	18.7
149.13185	4.6
151.14801	9.4
151.21530	2.3
161.13181	18.9
175.14804	10.1
178.34531	2.3
181.81523	2.3
189.16318	4.1
199.14862	5.2
217.19458	40.2
235.14751	3.9
235.16913	53.7
235.20528	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14510	1.1
55.05510	5.5
57.07068	6.8
61.85304	1.1
63.81201	1.1
67.05508	32.4
69.03412	1.7
69.07054	8.4
70.87649	1.2
71.04988	1.3
74.90774	1.0
75.90316	1.3
77.77798	1.2
79.05504	14.2
81.06625	2.2
81.07060	42.5
83.08598	4.9
85.06535	5.3
91.05479	14.9
93.07047	25.5
95.04958	2.3
95.08612	38.4
97.06539	2.7
97.10181	1.5
99.08067	5.4
105.07038	11.1
107.04939	2.1
107.08601	14.0
109.06516	1.8
109.10166	16.8
111.08051	2.3
113.09617	1.8
119.08572	10.0
121.06524	3.1
121.10146	22.1
123.08070	1.3
123.11678	9.0
131.08553	3.1
133.10121	13.1
135.07944	1.7
135.11703	11.9
137.09586	1.7
137.13245	10.1
147.08035	1.9
147.11691	9.5
149.03311	1.2
149.13287	2.3
150.06787	2.1
151.07492	2.3
151.14752	5.0
158.07266	8.3
159.04344	1.9
159.08000	2.2
160.08806	8.7
161.06001	2.2
161.13216	5.4
163.07515	4.6
164.08357	1.6
165.09094	6.7
174.06741	34.4
175.07520	2.1
175.14796	5.4
176.08324	21.1
177.05428	8.2
178.06148	1.3
189.09090	67.0
189.16345	2.1
191.07024	2.2
191.10651	5.2
192.07776	12.6
193.05025	2.8
193.08641	2.7
199.14763	2.5
203.56447	1.3
205.04903	2.6
207.10158	100.0
217.19499	21.7
220.07326	19.9
235.09615	80.1
235.14792	4.4
235.16881	13.1
235.20541	40.7
235.22835	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22840	3.1
57.79208	3.0
81.03430	4.0
83.94461	4.0
92.20905	4.3
93.46893	3.7
99.04447	14.1
106.44010	3.7
107.04913	4.9
121.06522	44.4
123.04404	5.3
127.03934	47.4
136.07570	5.8
145.02849	7.8
145.04944	18.7
147.04346	3.8
150.09160	6.4
155.03381	100.0
165.96953	3.8
173.04462	18.4
177.05484	24.4
190.08658	16.5
201.03957	35.2
218.08209	7.2
219.05000	19.6
236.07495	20.0
236.09235	19.7
236.12872	17.6
236.14882	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69615	2.7
66.19745	3.1
71.10267	2.8
71.10664	3.1
75.20067	2.8
81.03430	3.9
81.44892	3.0
97.02828	4.5
99.04461	14.8
109.02821	5.1
121.06506	13.4
122.06026	7.2
127.03889	29.2
136.06169	19.7
136.07590	8.8
145.02870	6.1
145.04968	20.6
150.09128	3.4
151.44107	3.6
155.03392	100.0
157.53473	3.4
171.81712	4.2
172.07561	6.6
173.04485	8.4
176.07004	4.7
177.05428	15.8
188.07028	14.9
190.08572	6.4
192.10190	3.6
201.03920	28.2
218.08047	12.2
219.04942	6.2
236.07512	17.5
236.09215	19.9
236.13034	31.4
236.14893	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41967	2.5
67.63457	3.0
73.02936	3.1
73.45486	3.4
81.07076	4.0
99.04475	23.0
107.04997	4.3
109.02894	7.0
121.06532	26.2
121.33926	3.6
123.04398	3.6
127.03946	39.3
128.38176	3.1
134.06088	3.0
136.07590	4.2
137.02330	4.4
145.04987	13.8
150.09137	5.0
155.03392	100.0
162.09151	4.5
169.28511	3.2
173.04468	6.3
177.05446	6.4
190.08662	17.9
201.03960	26.0
218.08159	5.9
219.05080	8.1
236.07344	10.9
236.09566	27.7
236.12808	21.9
236.16624	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36196	0.5
53.88423	0.6
57.03431	4.4
58.06595	8.6
59.07383	4.9
60.08154	4.1
62.52446	0.7
69.03457	0.7
69.38194	0.6
72.04519	0.9
75.04486	3.2
85.02899	1.1
86.06069	6.0
87.04479	10.4
88.80067	0.6
90.73723	0.6
97.02900	5.8
98.06044	4.9
104.10759	5.1
106.67741	0.7
114.05513	1.2
116.07104	1.1
116.78557	0.8
128.07056	3.0
131.07045	1.3
132.06528	0.9
140.07091	1.1
149.01120	13.2
162.04283	6.2
164.07076	2.6
176.05801	3.6
177.06656	2.9
182.08107	6.0
192.08929	1.0
200.09193	7.9
201.22725	0.7
218.10225	24.4
236.07997	16.8
236.11533	5.7
236.14914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0915
Annotation	Cherianoine
Peak:m/z	Relative Intensity
52.27648	0.6
56.28054	0.7
72.56247	0.6
82.61129	0.6
91.05477	1.4
102.87637	0.6
119.04961	1.2
121.06461	0.9
146.06012	0.8
149.05984	13.7
150.09195	1.0
156.34445	0.7
175.03947	4.7
176.07062	100.0
177.05455	1.0
180.08913	0.9
188.27342	0.7
208.08559	2.9
221.05957	2.7
236.08925	18.7
236.12770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0917
Annotation	Cherianoine
Peak:m/z	Relative Intensity
53.13565	0.6
53.16066	0.6
54.55973	0.6
60.03972	0.6
72.08154	1.0
74.10137	0.6
85.92050	0.6
87.04500	1.0
105.07059	1.2
119.05984	0.7
121.06506	2.8
132.29388	0.7
136.06201	7.8
147.06795	1.7
162.09172	1.7
171.16745	0.7
174.09096	1.1
175.06252	10.0
176.40594	0.7
177.07860	1.2
179.12523	0.7
179.90518	0.6
188.07082	5.6
190.08643	100.0
210.60530	0.7
218.08150	5.8
221.06853	1.7
236.09201	95.4
236.11263	6.2
236.13037	2.8
236.14981	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66252	0.5
53.81652	0.5
83.13100	0.5
91.05460	0.7
93.07049	4.7
102.60971	0.6
103.05455	1.1
116.07094	1.1
121.06502	100.0
132.08080	1.2
133.06523	0.7
136.06180	0.8
146.40099	0.6
150.07925	1.1
150.09138	30.8
162.09216	1.0
164.07024	0.9
190.08478	0.7
208.09744	0.7
218.10104	1.2
236.05688	0.9
236.09103	2.8
236.12836	17.9
258.71533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25880	1.0
53.47896	0.9
57.03435	2.0
58.06604	10.9
59.07376	2.6
60.08165	5.2
62.43747	1.0
64.15891	1.0
71.69718	1.0
75.04469	2.5
75.90771	1.1
78.11781	1.0
80.79752	1.0
87.04456	5.4
99.63672	1.3
105.05493	1.2
117.46383	1.2
131.06999	2.3
135.44020	1.2
195.11435	2.1
236.14909	100.0
254.67079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18012	0.3
51.88543	0.3
55.06504	0.3
56.88919	0.3
57.03446	4.1
58.06345	0.5
58.06603	7.3
58.23890	0.3
59.07384	4.6
60.08160	4.6
60.28044	0.3
63.22604	0.3
73.02904	0.6
75.04504	2.9
81.46556	0.3
85.02882	1.4
87.04467	4.9
92.45895	0.3
98.06105	0.3
100.20617	0.3
103.03988	0.4
105.05482	0.6
116.07107	0.4
131.07036	2.4
144.10179	0.4
146.03406	0.4
185.67369	0.4
218.10222	0.4
236.14915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
58.06609	9.1
59.07378	4.0
60.08175	5.1
73.02908	0.6
75.04467	3.3
85.02885	1.9
87.04463	5.4
105.05453	0.8
131.07031	2.5
138.05486	0.6
144.10204	0.8
190.08667	0.6
190.14369	1.0
206.84457	0.5
208.12393	0.4
218.10109	0.4
218.13794	1.0
231.00861	0.5
236.09242	11.9
236.14909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55778	0.2
57.03442	4.1
57.62161	0.2
58.06311	0.4
58.06605	8.0
59.07382	4.3
60.08167	5.0
68.28215	0.2
69.03400	0.4
72.04504	0.4
73.02908	0.7
75.04488	3.4
81.03441	0.3
85.02885	1.8
86.06076	2.2
87.04464	8.5
93.05502	0.5
97.02882	2.2
98.06059	2.7
101.00897	0.3
103.03946	0.5
104.07096	0.4
104.10751	0.4
105.05521	0.6
112.07610	0.4
116.07090	0.4
119.01836	0.3
120.02010	0.3
128.07048	0.7
131.06995	2.1
132.06563	0.5
140.07053	1.2
144.10211	1.2
146.03601	1.3
158.08154	0.4
162.15160	0.3
164.07106	1.0
182.08093	2.6
187.70088	0.3
190.02594	0.5
195.05122	0.3
200.09183	3.7
201.86940	0.3
208.06323	0.3
213.06021	0.5
218.02161	0.3
218.10242	11.2
218.13727	0.4
221.67604	0.3
236.11122	3.5
236.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68060	0.4
54.12899	0.4
56.10450	0.5
56.93659	0.5
70.98656	0.6
71.08622	3.9
91.05491	1.0
93.07039	3.6
95.04945	0.9
99.08083	2.3
103.05460	1.2
109.49334	0.7
116.10762	0.7
121.06509	100.0
122.85970	0.8
138.09158	15.3
157.27292	0.6
158.19348	0.7
177.05516	0.7
194.08092	2.6
236.12820	1.1
236.16437	7.2
239.95952	0.6
244.01831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23998	0.9
57.96844	1.0
60.55071	1.2
62.70956	1.1
65.73444	1.1
72.69075	1.2
99.04444	1.4
103.05453	2.6
107.25982	1.2
117.07019	1.7
121.06514	6.8
131.04927	15.9
132.08084	1.6
137.05992	2.1
138.14415	1.1
145.02829	1.5
145.06473	12.9
149.05977	100.0
159.08031	2.7
163.07533	34.1
163.08865	1.9
177.05457	8.0
177.09126	2.2
192.13803	2.3
216.17519	1.5
219.13799	45.1
236.12866	2.4
236.16460	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15777	2.0
58.06597	5.1
59.38126	2.6
60.08165	2.6
68.77217	2.6
72.04154	4.9
72.04525	100.0
83.68721	2.7
86.06068	3.5
89.82213	2.7
99.09214	6.6
116.38526	3.0
147.03275	3.2
149.01175	4.8
150.01414	4.6
158.08131	19.4
166.06158	11.7
173.04086	3.9
176.09177	17.6
191.02277	3.0
210.66847	3.3
219.13420	6.0
237.06476	20.6
237.10097	56.8
237.12328	6.6
237.15237	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15777	2.0
58.06597	5.1
59.38126	2.6
60.08165	2.6
68.77217	2.6
72.04154	4.9
72.04525	100.0
83.68721	2.7
86.06068	3.5
89.82213	2.7
99.09214	6.6
116.38526	3.0
147.03275	3.2
149.01175	4.8
150.01414	4.6
158.08131	19.4
166.06158	11.7
173.04086	3.9
176.09177	17.6
191.02277	3.0
210.66847	3.3
219.13420	6.0
237.06476	20.6
237.10097	56.8
237.12328	6.6
237.15237	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71064	0.8
55.01881	3.9
68.06335	0.8
79.05505	1.7
86.01740	0.8
91.05508	1.2
93.07061	4.2
95.04971	1.0
103.05460	10.9
105.07043	1.6
107.04944	5.9
109.68540	1.0
121.06505	21.0
124.12357	0.9
131.04938	12.3
135.04451	1.4
147.04437	3.2
149.05971	19.4
153.05501	1.5
159.04422	4.0
163.03944	1.2
165.07018	1.9
166.07800	2.0
167.07108	3.8
167.08498	1.2
172.27728	0.8
177.05469	34.5
179.08505	0.9
181.06563	1.5
181.08652	1.6
181.10207	4.3
191.07001	3.0
191.08536	16.9
191.10004	1.1
194.05734	1.6
194.07373	10.0
195.06499	1.2
204.04305	1.3
205.04915	20.3
205.06593	4.0
206.05756	1.1
207.08086	1.3
208.08826	1.6
209.08119	12.0
209.09738	17.4
219.06425	1.1
219.08150	16.7
222.06779	56.3
237.09213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
60.24937	0.2
74.02444	7.4
84.08129	0.4
87.04488	0.3
95.69488	0.3
104.26202	0.3
118.06511	0.4
126.06447	0.3
130.06487	0.4
132.04515	0.3
146.06006	100.0
148.03899	0.6
158.05997	0.7
173.07098	0.6
191.08141	0.7
219.05435	0.3
219.07605	2.1
228.31067	0.3
237.08699	6.0
237.12817	0.4
237.15222	5.3
257.69379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.091
Annotation	cis-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
54.38719	0.2
55.05479	0.2
58.83170	0.2
69.03407	0.3
71.04959	0.2
79.05457	0.3
81.03355	0.2
81.07057	0.6
91.05430	0.4
94.06563	2.9
95.08580	0.4
105.06980	0.3
107.08570	0.4
116.03413	0.2
121.06503	0.8
121.10133	0.3
127.11150	0.2
133.10106	0.4
135.07970	0.4
135.11641	0.3
139.22824	0.2
141.06908	0.3
145.02811	1.1
146.05969	1.2
151.11087	0.8
152.06204	0.3
153.06984	0.4
159.11642	0.2
161.05907	0.8
161.09589	0.3
163.07318	0.2
165.06940	2.7
166.07756	3.5
167.08490	0.4
174.05473	1.0
177.05412	1.4
177.06995	1.6
178.05765	0.4
178.07777	0.8
179.08533	1.8
181.06544	2.0
181.10085	4.2
189.06989	0.8
190.07735	1.7
191.07120	0.8
191.08537	17.2
192.06500	0.4
193.06442	0.9
194.07251	9.6
195.08054	1.8
205.06493	4.7
206.07178	0.3
207.08075	1.8
208.08813	2.2
209.09602	17.0
212.49030	0.2
219.08054	12.8
219.10042	0.6
220.08829	0.3
221.05872	2.0
222.06734	54.8
223.07484	1.2
235.07590	0.2
236.08194	0.5
237.09076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.091
Annotation	cis-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
53.07069	0.2
57.02367	0.2
58.66255	0.2
59.02520	0.2
74.66411	0.2
90.48888	0.2
91.88611	0.2
100.07121	0.2
106.10233	0.2
111.39658	0.2
127.76616	0.2
136.07516	0.3
141.06935	0.4
153.06969	0.5
163.11296	0.2
165.06993	2.6
166.07782	3.2
167.08539	1.2
168.05640	0.4
170.45442	0.2
177.05568	0.2
177.06955	1.5
177.76933	0.2
178.07663	0.3
179.08542	1.9
181.06505	1.7
181.10147	3.9
189.06947	0.2
189.97884	0.2
190.07776	1.7
191.08539	16.0
193.06401	0.9
194.07254	9.4
195.08011	1.4
205.06503	3.8
207.08043	1.5
208.08850	3.2
209.09602	15.9
219.08035	11.6
221.05981	1.7
222.06738	53.3
223.07607	0.8
236.08205	0.4
237.09082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.05024	0.8
64.57327	0.4
67.05486	0.8
74.02436	1.1
74.42558	0.4
80.05013	0.6
82.06581	6.9
84.08144	18.4
85.47652	0.4
87.62808	0.5
94.06562	11.7
96.08140	4.7
98.09679	0.7
106.06565	0.8
107.07352	0.5
107.08580	0.7
108.08099	0.7
110.06002	0.5
117.05784	0.5
118.06438	0.6
120.08112	7.5
121.06508	3.3
122.06003	2.1
122.06843	3.9
128.07086	1.7
131.08524	1.3
132.08089	2.9
133.08875	3.8
134.09648	4.6
143.07306	0.9
146.06090	0.5
146.09610	3.3
147.09155	1.0
147.10365	0.5
148.07549	1.7
148.11203	100.0
150.09149	0.6
151.09479	0.6
155.03427	1.0
158.09648	16.0
160.09947	2.4
163.12289	4.9
165.13876	0.4
173.10715	0.9
175.12292	77.2
176.10692	7.6
178.10992	0.5
192.10222	1.1
219.11334	3.9
237.07164	0.8
237.09485	2.3
237.12476	5.2
237.15622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45980	0.5
55.01887	0.8
55.05524	0.7
56.05055	0.7
66.17773	0.6
67.05515	1.2
69.07058	1.3
73.02924	1.6
73.06547	0.6
74.02464	0.5
80.05025	1.4
82.06583	8.4
84.08150	18.6
86.09714	0.8
89.62756	0.7
94.06567	8.9
96.08138	4.2
98.09720	0.8
107.07265	0.7
108.04467	0.9
117.07021	1.2
118.06526	1.3
120.08082	5.0
122.06039	1.0
123.05544	12.4
128.07097	1.0
131.08556	1.6
132.08104	2.5
133.08899	2.9
134.09673	3.0
135.03053	0.7
136.07555	0.7
143.07327	2.7
146.09654	3.5
147.09282	0.8
148.07544	3.0
148.11214	100.0
158.09656	14.9
160.09958	3.0
163.12317	2.8
172.97499	0.9
175.12305	70.8
176.10745	5.4
192.06433	1.1
206.83546	0.9
219.11400	6.4
237.02840	0.7
237.07059	4.1
237.09213	2.9
237.12305	25.9
237.14359	1.6
240.90263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47745	1.0
56.21314	0.9
58.06612	11.8
68.05024	4.6
69.03431	1.3
70.06586	1.5
71.06084	1.8
74.06100	1.8
75.09240	7.6
81.03416	7.6
86.06062	10.7
87.09225	1.4
97.02864	1.1
99.09216	58.2
100.07623	7.4
100.88489	1.2
101.69173	1.2
105.46470	1.1
110.06036	5.4
111.09194	2.8
116.07119	1.5
119.01909	2.0
122.17163	1.0
127.03882	1.3
129.10225	23.1
130.63713	1.2
140.07062	8.6
147.03223	2.3
148.77316	1.3
152.00084	1.1
158.08116	54.5
172.09793	1.7
176.09171	100.0
177.00755	1.5
177.02402	2.0
183.11240	2.6
191.02194	1.9
201.12331	20.0
219.13399	55.7
222.55127	1.1
237.14444	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.44064	1.4
55.05503	1.4
61.11366	1.3
67.05502	6.8
69.07061	1.5
75.68530	1.5
81.03453	1.8
81.07056	11.3
83.04992	2.3
83.08619	2.7
85.02895	1.8
91.05431	2.7
93.07003	8.8
95.04942	6.9
95.08603	6.4
99.04430	2.7
105.07027	2.8
107.04921	2.7
107.08578	3.7
109.06520	29.5
109.10169	2.8
111.08044	1.8
117.07025	2.6
119.08575	2.9
121.06474	9.4
121.10138	2.3
131.08484	8.3
133.10126	6.6
135.08012	3.6
135.11723	2.2
137.05998	3.9
139.07491	3.0
151.07535	3.3
152.96063	1.9
159.11687	18.4
161.09604	1.8
163.07516	9.7
163.11150	3.6
173.13148	2.1
177.12686	7.7
181.08545	16.8
191.14281	2.5
201.12686	2.3
219.13751	8.1
227.82678	1.6
237.14778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38751	0.4
69.75523	0.4
87.04452	3.4
104.47557	0.4
105.07040	0.5
107.08568	0.8
151.11180	2.2
151.12289	18.8
179.08829	0.5
219.11256	0.6
237.09468	3.4
237.15958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1596
Annotation	DROPROPIZINE
Peak:m/z	Relative Intensity
62.38751	0.4
69.75523	0.4
87.04452	3.4
104.47557	0.4
105.07040	0.5
107.08568	0.8
151.11180	2.2
151.12289	18.8
179.08829	0.5
219.11256	0.6
237.09468	3.4
237.15958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02454	0.5
67.05501	0.8
70.80344	0.5
79.05492	0.8
80.34095	0.6
81.07043	4.2
83.04961	0.6
87.94720	0.6
91.05457	2.8
93.07039	2.8
95.08591	3.6
105.07025	4.1
107.08562	1.3
109.10034	0.6
109.65055	0.6
117.07000	1.2
129.07051	2.7
131.08557	3.5
143.08623	5.3
145.10092	2.4
149.66187	0.6
155.08571	7.3
157.10107	3.5
165.06987	1.4
166.07785	0.8
167.08553	3.7
169.10121	4.1
179.08542	1.3
180.09291	0.7
181.10097	16.4
182.10904	1.3
193.10185	1.5
194.10883	1.5
195.11690	25.3
196.12422	0.9
207.11754	1.1
208.12462	2.8
209.13229	8.3
209.79849	0.7
222.13992	8.3
237.16362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.47767	0.9
53.00315	2.5
53.03962	1.1
53.36596	0.9
55.01870	1.4
55.05507	7.9
55.31871	0.9
57.03440	1.8
57.07072	2.5
59.05001	2.6
67.05497	12.6
69.03429	23.7
69.07077	10.4
69.07381	1.1
71.04992	53.2
73.06556	1.7
79.05482	10.1
81.07056	73.1
83.04991	2.4
83.08603	5.1
85.06525	2.4
91.05473	10.8
91.09161	1.5
93.07037	32.0
95.04948	10.6
95.08598	21.7
97.06524	7.3
97.10168	5.1
99.08087	28.4
105.07036	39.0
107.08586	40.6
108.38834	1.2
109.06513	31.6
109.10153	37.3
111.08073	5.1
117.07049	2.1
119.08582	13.7
121.06539	2.3
121.10152	19.2
123.08054	7.1
123.11689	21.9
125.09623	16.0
127.07551	13.7
127.11186	62.1
131.08549	8.9
133.10120	94.4
135.07991	1.7
135.11684	6.5
137.09627	17.0
139.11168	7.8
143.10637	10.3
145.10117	33.7
147.11655	15.7
149.13188	1.7
151.11168	100.0
155.10660	23.5
159.11629	11.6
161.13217	5.4
163.11174	5.0
173.13268	2.2
174.06731	1.4
175.14862	1.4
177.12733	1.7
191.14281	1.2
192.26048	1.1
201.16364	15.2
219.10141	6.0
219.17419	32.9
237.09154	2.2
237.18471	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
55.05505	4.2
63.76999	2.7
67.05502	18.6
69.03433	31.4
69.07063	11.3
71.04996	52.4
71.29190	2.6
73.52803	3.0
74.36275	2.7
75.17910	2.6
78.65020	2.5
78.86421	2.4
79.05486	11.8
81.07065	68.3
83.08623	5.2
91.05480	18.9
91.13766	3.1
93.07055	37.7
95.04970	13.7
95.08624	32.5
97.06538	5.2
97.10155	5.2
99.08103	26.1
105.07040	36.7
107.08595	44.8
109.06520	32.7
109.10162	57.7
111.08081	3.5
119.08566	20.2
121.10151	16.9
123.08092	7.0
123.11706	24.4
123.64207	2.7
123.81326	2.6
123.98581	2.6
125.09640	22.8
127.07614	4.5
127.11195	74.2
131.04933	5.7
131.08578	17.9
132.05298	4.2
133.10130	85.9
135.11656	3.5
137.05991	3.4
137.09637	31.7
139.11179	4.3
143.10683	11.9
145.02756	3.4
145.10139	24.2
146.06804	5.8
147.11699	16.4
149.05994	35.1
150.06305	53.3
151.11192	100.0
155.10681	23.1
159.11693	14.2
161.13242	5.6
163.07483	4.6
163.11092	2.7
164.07886	24.2
166.01390	2.8
189.09219	2.9
201.16373	15.9
207.10164	3.2
219.10257	4.2
219.17432	63.0
220.14159	41.3
237.05339	5.5
237.09184	5.5
237.16452	34.6
237.18848	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47767	0.9
53.00315	2.5
53.03962	1.1
53.36596	0.9
55.01870	1.4
55.05507	7.9
55.31871	0.9
57.03440	1.8
57.07072	2.5
59.05001	2.6
67.05497	12.6
69.03429	23.7
69.07077	10.4
69.07381	1.1
71.04992	53.2
73.06556	1.7
79.05482	10.1
81.07056	73.1
83.04991	2.4
83.08603	5.1
85.06525	2.4
91.05473	10.8
91.09161	1.5
93.07037	32.0
95.04948	10.6
95.08598	21.7
97.06524	7.3
97.10168	5.1
99.08087	28.4
105.07036	39.0
107.08586	40.6
108.38834	1.2
109.06513	31.6
109.10153	37.3
111.08073	5.1
117.07049	2.1
119.08582	13.7
121.06539	2.3
121.10152	19.2
123.08054	7.1
123.11689	21.9
125.09623	16.0
127.07551	13.7
127.11186	62.1
131.08549	8.9
133.10120	94.4
135.07991	1.7
135.11684	6.5
137.09627	17.0
139.11168	7.8
143.10637	10.3
145.10117	33.7
147.11655	15.7
149.13188	1.7
151.11168	100.0
155.10660	23.5
159.11629	11.6
161.13217	5.4
163.11174	5.0
173.13268	2.2
174.06731	1.4
175.14862	1.4
177.12733	1.7
191.14281	1.2
192.26048	1.1
201.16364	15.2
219.10141	6.0
219.17419	32.9
237.09154	2.2
237.18471	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.00309	1.4
53.50600	1.0
55.01885	2.9
55.05512	7.0
56.52061	1.1
57.07085	3.0
59.05004	3.2
60.68595	1.4
67.05508	13.9
69.03432	13.0
69.07064	7.9
71.04991	28.8
79.05505	18.3
81.07063	100.0
82.09612	1.3
83.04985	1.7
83.08610	5.8
85.06552	5.8
91.05481	14.4
93.07036	25.6
95.04945	7.5
95.08604	17.7
97.06521	6.0
97.10145	2.8
99.08100	48.3
105.07033	36.1
107.08588	28.7
109.06528	21.6
109.10149	25.9
117.07003	2.1
119.08578	18.0
121.10126	15.4
123.08071	2.6
123.11715	14.3
125.09630	12.8
127.07543	19.5
127.11189	27.5
131.08574	8.1
133.10132	74.0
135.11678	8.4
137.09616	2.1
139.11224	5.6
143.10661	6.5
145.10147	20.0
147.11665	17.5
149.13243	8.0
151.11183	44.4
155.10645	11.9
159.11732	10.0
161.13231	6.6
165.12761	2.8
169.12215	5.6
173.13316	2.4
177.12679	1.5
191.17900	2.1
200.20782	1.3
201.16420	6.8
210.88408	1.4
219.17432	10.7
237.09193	2.8
237.12523	3.7
237.14552	12.3
237.18402	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
54.07553	3.1
55.05516	18.6
57.07062	4.4
59.05013	24.3
67.05505	5.9
69.07063	13.6
71.04992	6.7
79.05483	16.3
81.03419	4.1
81.07062	73.6
83.04977	15.7
83.08648	5.5
85.06538	6.5
91.05499	6.0
93.07043	41.5
95.04959	6.3
95.08607	40.6
97.06529	18.9
97.10165	4.0
99.08083	4.6
105.07013	27.8
107.08599	60.7
109.06516	19.3
109.10167	20.9
109.35172	3.3
119.08577	23.0
121.06514	7.0
121.10138	37.9
123.08121	12.9
123.11687	14.7
125.09624	17.4
127.11152	4.7
131.08612	7.6
133.10136	34.1
135.11693	100.0
137.06004	3.3
137.09618	5.6
143.10767	3.3
145.10101	16.7
147.11716	7.0
149.13249	29.4
151.11116	4.4
156.06357	3.4
159.08031	3.2
159.11699	18.5
161.09653	4.6
161.13283	22.3
163.07596	6.6
172.55046	3.1
173.13277	5.0
175.14842	7.2
177.12755	14.3
177.16310	3.3
179.14214	4.3
182.63348	3.1
191.17999	4.2
195.11583	4.1
201.16379	14.0
219.13840	18.8
219.17377	39.0
237.09167	18.5
237.11162	3.7
237.14745	84.1
237.18469	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.16984	1.1
51.32915	1.1
53.00313	2.5
55.01869	1.5
55.05508	6.5
56.83678	1.2
57.03427	1.5
57.07069	1.2
58.25322	1.3
59.04992	2.9
59.79111	1.5
62.16221	1.2
67.05509	10.8
69.03426	26.2
69.07066	9.5
71.04992	53.1
77.78292	1.3
79.05484	10.3
80.13702	1.3
81.07059	63.0
83.08611	2.8
85.06551	2.3
86.92101	1.4
91.05499	10.0
93.07044	29.1
95.04961	12.2
95.08617	20.4
96.42541	1.4
97.06544	3.1
97.10170	3.2
99.08096	23.1
105.07023	32.9
107.04995	2.2
107.08595	33.5
109.06513	28.3
109.10156	38.8
111.08083	5.5
112.29819	1.4
113.09667	2.2
117.07001	3.2
119.08586	17.7
121.06506	1.9
121.10128	15.1
123.08073	5.8
123.11695	20.6
125.09612	15.8
127.07562	8.0
127.11196	59.1
131.08568	9.9
133.10130	82.0
135.11694	8.6
137.09608	18.9
139.11224	3.0
143.10695	11.6
145.10126	30.6
147.11681	13.1
149.09616	1.6
149.13281	3.0
151.11176	100.0
152.70395	1.5
155.10674	23.9
158.65314	1.4
159.11618	11.4
161.13231	8.3
163.11171	3.2
167.80855	1.6
169.12325	1.8
173.13261	5.5
177.05453	2.1
177.07225	1.7
177.12723	2.4
191.08527	7.8
191.17966	2.3
194.07298	3.6
200.25926	1.6
201.16298	14.3
205.06454	1.6
209.09642	2.4
219.08055	2.9
219.17415	36.6
222.06790	20.1
228.59427	8.2
237.09143	47.3
237.18478	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2211
Annotation	Bombykal
Peak:m/z	Relative Intensity
55.05521	25.5
56.96570	33.9
57.03435	2.5
57.07075	15.4
67.05516	32.7
69.07072	45.5
69.93733	1.9
70.03838	2.9
70.72275	2.1
71.04971	2.9
71.08637	3.0
79.05493	24.2
79.88757	2.3
81.07059	45.4
83.08620	50.1
84.91560	2.1
85.06556	3.4
91.05468	11.6
92.20959	2.8
93.07043	37.0
95.08598	38.4
97.06541	10.7
97.10177	25.1
99.08094	2.2
100.99161	5.8
105.07015	4.3
107.08607	25.5
109.10158	16.7
111.08068	5.4
111.11791	4.3
112.01723	2.4
112.99121	4.2
119.08542	4.1
121.10152	32.2
123.11695	10.0
125.09624	3.1
131.00166	41.3
131.96158	4.1
133.10114	4.2
135.11696	23.5
137.13251	4.5
149.01218	100.0
149.02406	3.8
149.13257	14.2
149.97168	4.7
154.97714	3.2
163.14745	2.9
167.02292	27.6
172.02814	4.2
172.98836	4.7
173.13145	2.5
179.60757	2.4
187.10710	2.7
194.16309	2.4
196.11130	41.6
219.21001	19.6
221.81790	2.3
237.22115	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.221
Annotation	Bombykal
Peak:m/z	Relative Intensity
55.05518	49.7
57.07072	34.4
67.05509	50.7
69.07067	78.4
71.08645	10.9
71.38885	5.1
72.78850	6.5
79.05476	12.1
81.07063	94.6
83.08627	82.8
84.10754	5.0
93.07074	49.6
95.08611	88.5
97.06518	26.1
97.10172	39.6
105.07035	6.1
107.08579	35.9
107.98801	6.1
109.10151	37.2
111.08081	25.3
111.11735	7.1
118.06541	6.7
121.10139	98.2
123.11752	13.4
135.11688	55.5
137.13254	14.5
140.17590	5.9
149.13258	26.6
155.14313	14.6
163.14771	11.3
195.11766	8.1
219.21028	57.3
237.16443	22.8
237.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2212
Annotation	Bombykal
Peak:m/z	Relative Intensity
50.94598	1.1
51.61043	0.9
55.05519	26.1
57.03456	2.6
57.07085	14.9
58.03473	1.3
67.05177	2.1
67.05509	30.9
69.07074	48.3
71.05008	2.6
71.08623	8.5
79.05495	11.8
79.88837	1.2
81.07062	58.9
83.08629	50.9
85.06544	3.2
85.10191	1.9
93.07047	21.0
95.08612	43.2
97.06535	6.4
97.10170	32.1
99.08088	2.1
101.72202	1.2
104.24797	1.1
107.08587	15.9
109.10159	17.6
111.08067	7.8
111.11707	5.6
113.09619	2.5
121.10146	34.3
123.11667	14.3
131.96118	1.6
135.11688	29.7
137.13272	10.0
137.80772	1.4
139.11102	1.8
149.13248	13.3
151.14798	1.2
163.14793	8.5
177.16391	2.4
178.30472	1.3
208.38704	1.4
219.21039	26.7
237.22125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22707	4.0
55.05520	35.6
57.07067	25.5
59.28617	4.8
67.05512	45.0
69.07072	76.5
71.08653	7.2
79.05525	17.6
81.07056	84.6
83.08623	83.6
91.15812	4.3
93.07056	28.6
95.08620	63.9
97.06498	18.5
97.10165	42.4
107.08582	29.1
107.97042	4.6
109.10177	39.9
109.88040	5.9
111.08104	11.3
111.11719	9.3
117.64748	5.4
120.08907	4.7
121.10152	63.6
123.11720	21.9
131.96159	24.1
135.11739	48.6
137.13263	6.5
149.13251	26.0
149.97252	22.7
154.97716	19.6
163.14850	20.3
172.98761	11.0
219.21092	48.3
237.22118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2212
Annotation	Bombykal
Peak:m/z	Relative Intensity
55.05519	31.5
57.07089	17.1
57.40823	1.5
60.02542	1.8
67.05513	37.0
69.07074	51.6
71.08619	10.8
79.05504	15.6
81.07066	56.8
83.04987	2.9
83.08627	55.3
93.07050	26.8
95.08611	48.5
97.06541	11.7
97.10176	28.8
103.29823	2.3
107.08601	16.5
109.10173	21.1
111.08080	12.7
111.11715	4.3
121.10133	49.7
123.11733	15.0
135.11694	38.2
137.13252	13.4
139.11191	3.2
148.57808	2.0
149.13235	16.5
154.97772	2.2
163.14853	7.6
219.21100	33.4
237.09270	3.8
237.22125	100.0
255.03722	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39433	1.2
55.05274	2.4
55.05517	35.9
56.72662	1.4
57.03433	1.8
57.05796	1.4
57.07089	18.6
67.05508	32.3
69.06702	2.3
69.07071	53.8
71.04982	2.8
71.08630	13.0
76.27508	1.3
78.69382	1.5
79.05487	11.8
81.07059	55.2
83.08626	47.0
85.06541	8.6
85.10172	2.6
85.68839	1.5
93.07042	20.6
95.08607	48.9
97.06525	7.6
97.10173	36.1
99.08080	3.4
107.08588	15.0
109.10164	16.9
110.07114	1.7
111.08093	7.5
111.11681	6.0
112.26645	1.5
113.09622	2.4
121.10142	39.8
123.11707	16.8
125.09628	2.8
128.91335	1.5
131.96111	3.2
135.11693	31.5
137.13252	14.2
149.13300	15.5
149.97226	2.0
160.25096	1.7
163.14748	3.7
177.16405	2.1
201.59801	1.5
219.21082	27.9
232.49527	1.9
237.22124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2211
Annotation	Bombykal
Peak:m/z	Relative Intensity
55.05521	31.0
57.03440	3.5
57.07088	21.2
64.73590	1.4
67.05189	2.1
67.05509	32.3
68.04034	1.4
69.07075	64.3
71.04977	2.9
71.08631	8.8
79.05489	12.5
81.06614	2.9
81.07063	52.6
81.71838	1.8
83.04948	1.8
83.08626	61.8
85.06548	7.6
85.10181	4.2
93.07039	25.1
95.08611	52.4
97.06529	10.3
97.10181	36.1
99.08087	3.6
107.08605	20.8
109.06436	2.0
109.10170	28.9
111.08070	7.3
111.11700	9.9
121.10142	42.7
123.11703	20.9
125.09625	2.7
131.96126	3.3
135.11685	33.2
137.13260	9.0
139.11179	3.3
149.13277	18.0
149.97198	12.2
151.10971	2.0
154.97720	3.7
163.14818	10.8
172.98837	3.2
177.16336	4.2
219.21083	47.4
237.09050	2.9
237.22119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.1
58.06605	0.8
58.29271	0.6
68.43284	0.6
71.04980	1.2
79.07348	0.6
87.04456	0.7
93.39599	0.6
99.04456	6.8
110.03526	0.9
117.05489	52.1
132.95906	0.8
136.07614	0.6
151.07574	0.7
153.04099	1.0
155.97411	1.0
163.03931	0.8
163.06194	0.8
173.98479	3.0
175.06139	1.4
178.07327	1.6
178.08620	44.9
192.06824	3.9
192.08786	100.0
193.07222	7.6
220.06114	1.4
232.97462	1.0
238.06981	2.6
238.08936	13.9
238.11191	1.9
238.14320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0933
Annotation	Fructosyl-glycine
Peak:m/z	Relative Intensity
55.01864	0.6
55.05498	0.5
56.96556	0.6
57.03408	0.5
58.06592	0.7
59.93924	0.3
60.92056	0.3
70.06576	0.6
73.02932	2.9
74.00635	0.5
81.03409	0.7
84.08133	0.5
85.01081	0.3
87.04482	0.7
99.00793	0.5
99.04430	0.6
102.98517	2.5
105.00080	0.9
110.03427	0.4
111.98424	0.5
117.05499	8.0
120.99571	4.5
132.01103	1.7
132.95778	0.6
136.06140	0.5
146.09624	0.8
148.98997	3.6
149.11662	0.5
150.06618	0.4
150.96835	0.6
151.04924	0.4
153.04053	0.6
153.07561	0.4
155.97383	0.8
156.01175	2.0
161.05937	0.5
163.03856	0.6
164.06998	0.8
173.98514	0.9
174.02209	1.6
175.06111	1.5
178.04979	0.5
178.08568	0.5
181.53078	1.5
184.00612	2.2
192.08791	100.0
193.07181	7.7
202.01749	3.2
215.00156	0.5
220.06165	0.8
220.08037	0.5
221.01187	3.1
221.12846	0.5
238.04114	1.1
238.07030	3.0
238.09131	16.2
238.14153	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1072
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
60.74257	0.6
66.12158	0.6
66.26994	0.6
82.12359	0.6
91.05495	0.8
98.86993	0.7
114.81078	0.6
117.06944	1.0
123.04414	0.8
127.83587	0.6
137.05992	3.4
143.04898	4.1
145.06476	3.8
151.07553	9.6
161.05949	4.3
163.06233	1.5
163.54816	0.7
164.07100	2.3
175.07501	11.7
177.09050	1.8
177.73091	0.7
178.08623	100.0
192.06639	1.0
192.10265	10.7
202.08604	1.2
203.07109	1.1
211.77388	0.8
217.73479	0.7
220.09624	6.8
221.07976	2.6
238.07123	1.1
238.10776	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1071
Annotation	Funebral
Peak:m/z	Relative Intensity
89.74697	1.0
91.05457	1.0
93.35513	1.1
99.04444	1.0
100.50684	0.9
102.05539	2.2
117.05506	1.6
119.92370	1.0
129.06978	1.5
137.05991	23.1
143.04895	2.3
145.06421	1.0
146.06001	1.7
147.04472	1.2
147.06369	8.5
151.30856	1.0
157.06480	4.2
159.02080	1.0
161.05968	71.6
163.07436	1.7
164.07053	19.9
175.07542	24.6
177.09076	1.8
178.08629	5.3
185.05969	2.0
191.07002	1.5
192.10175	4.0
202.08620	7.1
203.07024	18.6
220.09715	16.9
221.08064	20.8
238.06966	3.7
238.10736	100.0
247.47932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
56.96574	1.6
57.07071	1.5
60.75081	1.9
64.60540	1.8
67.05508	23.7
69.07073	7.1
70.95860	11.7
72.93771	2.2
79.05480	16.2
79.68098	1.7
81.07067	19.1
83.05000	2.6
83.08626	4.1
85.06564	3.7
88.96928	2.9
90.57825	1.8
91.05450	20.8
93.07044	53.2
95.04964	45.9
95.08598	18.5
97.06535	25.3
97.10159	3.3
99.08081	2.1
105.07040	12.0
107.08582	17.3
109.06521	3.3
109.10158	14.2
111.04439	29.2
111.08073	11.5
111.98475	37.7
113.61046	1.8
117.07035	3.8
119.08581	55.6
119.16767	1.9
121.10136	12.3
123.08061	20.3
125.06004	4.1
125.09657	2.6
129.09459	2.4
129.99510	10.1
132.95830	45.1
133.10133	7.7
135.08067	2.5
135.11690	2.9
137.09613	22.6
143.08585	4.5
143.52245	1.8
147.11688	3.7
150.96899	50.7
155.96255	2.5
155.97418	72.8
159.11618	2.9
161.09743	2.3
161.13242	11.9
173.98479	72.2
175.11174	2.5
175.14813	29.0
179.10670	2.3
183.63278	1.9
185.13257	31.0
193.15849	10.1
197.11728	2.2
203.14319	41.4
221.15361	100.0
238.18048	18.9
239.16260	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.2164
Annotation	(+)-Isoaminobisabolenol a
Peak:m/z	Relative Intensity
54.04755	2.2
54.73006	2.3
55.05515	29.3
56.05033	4.1
57.07081	5.2
62.43002	2.8
67.05502	23.2
69.07072	40.1
70.06584	3.8
71.08615	2.8
79.05520	10.0
79.74856	2.6
81.07062	63.3
83.08626	50.8
84.08123	3.7
85.06543	5.0
86.06071	3.4
91.05431	2.7
92.21603	3.8
93.07044	6.2
95.08616	62.2
97.06546	5.7
97.10160	38.1
99.08105	4.2
100.07631	11.1
103.41908	2.7
105.07032	4.5
107.08597	18.8
109.10162	45.1
111.08080	6.7
111.11681	10.8
114.09186	14.2
119.08601	11.5
121.10144	50.5
123.11700	36.6
125.09627	5.3
128.10730	7.2
133.10168	6.4
135.11705	14.9
137.09631	4.1
137.13266	16.1
139.11180	14.6
142.12285	11.0
147.11690	18.0
156.13718	4.4
161.13242	6.9
173.98514	3.9
179.17879	3.9
196.18768	2.9
203.17970	64.7
221.18980	52.0
238.21651	100.0
238.25394	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1023
Annotation	Felbamate
Peak:m/z	Relative Intensity
50.55062	0.7
52.20853	0.8
56.69392	0.7
69.03413	0.8
69.08706	0.7
72.94163	0.8
78.65820	0.9
79.50607	1.0
82.06572	1.2
87.04464	35.1
108.04463	16.5
110.05982	1.0
135.05519	12.2
136.07614	1.3
138.95424	1.0
150.09151	13.8
152.03522	1.2
160.07570	2.1
168.09988	0.9
175.08650	15.2
176.07007	3.5
178.08612	54.4
180.06573	1.9
194.08110	100.0
196.09692	9.5
203.08157	11.1
204.06549	1.9
221.09175	31.8
222.07596	44.7
239.10208	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1063
Annotation	4'-Methoxychalcone
Peak:m/z	Relative Intensity
50.11406	0.4
52.58417	0.4
53.24678	0.5
54.93325	0.4
55.01890	0.6
56.34155	0.5
57.34405	0.5
65.03933	0.6
69.99255	0.5
85.02908	0.7
91.05481	100.0
105.07034	1.3
115.05441	4.2
121.06545	1.0
122.06845	1.1
123.04424	12.8
128.06212	0.7
129.06998	17.7
133.06497	0.9
133.10103	2.3
143.04919	9.3
143.08473	0.6
143.45717	0.5
145.02840	2.9
147.04486	0.7
148.05179	2.2
153.07050	0.9
155.08543	0.8
161.01257	0.7
161.05962	20.0
165.06987	10.8
166.04953	6.7
175.12357	0.5
177.05470	4.7
178.07777	5.9
179.08586	6.8
179.10510	0.6
181.06535	0.8
182.07339	1.0
183.08089	4.1
193.06485	12.6
193.10213	7.8
195.07942	0.9
196.05177	1.2
196.08884	2.3
202.07690	0.7
203.08534	1.3
206.07253	1.0
207.04213	3.4
207.08075	4.4
209.05884	3.9
210.06760	2.9
211.07510	9.1
211.10907	0.6
221.06184	4.5
221.09637	12.2
221.12872	2.0
224.08426	14.7
237.08910	0.7
239.07019	26.7
239.10625	84.4
239.17769	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
55.68969	1.7
60.47088	1.8
63.20092	2.2
67.05515	3.1
69.07075	2.2
69.69775	1.9
71.04977	2.0
71.47207	1.9
79.05465	2.6
81.07070	8.4
83.04987	22.2
85.02908	100.0
89.09753	2.2
93.07035	13.1
95.08599	35.7
97.02939	2.3
97.06519	30.2
101.26297	2.1
105.06990	3.8
107.08598	40.9
109.06513	11.2
109.10170	19.0
111.04430	11.0
111.08089	10.1
113.09642	12.6
119.08616	3.9
121.06527	22.2
123.04440	2.8
125.09620	78.1
133.10147	4.7
135.08063	5.0
137.05983	2.2
137.09610	57.5
139.07536	25.1
151.11191	8.9
153.09079	15.0
155.10667	14.1
161.09654	24.2
163.07487	18.3
169.32025	2.0
179.10655	35.1
181.08582	12.9
183.11743	3.2
193.12234	5.0
197.11737	18.3
203.10661	17.9
221.11719	38.1
239.12701	22.6
239.17934	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.05509	14.5
55.35027	5.9
60.57533	6.2
66.41117	5.8
67.05500	44.0
69.07083	16.6
69.70367	6.6
71.05007	10.1
74.83318	6.8
79.05487	29.4
80.78095	6.1
81.07056	43.5
85.02895	7.7
91.05464	33.7
93.07031	47.7
95.04974	63.3
95.08572	47.1
97.06530	52.7
97.72114	6.5
99.14357	7.0
105.07023	35.1
107.04926	14.0
107.08598	26.7
109.10159	26.9
117.07050	7.8
119.08570	35.1
121.95203	7.7
122.97242	8.2
123.08210	6.6
129.06976	15.4
130.74252	6.6
133.06494	12.7
133.10170	8.3
143.08513	8.4
157.10115	11.5
159.11661	7.3
161.13228	12.7
163.11111	10.5
163.86899	7.6
169.10115	10.0
179.14317	43.8
183.11740	30.1
185.13277	14.8
197.13223	16.3
218.02917	7.2
221.15359	73.5
239.18010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41234	1.5
55.05521	2.5
63.79408	1.5
67.05504	10.0
69.07066	8.6
76.99033	1.5
79.05499	4.1
81.07066	13.7
83.08604	2.2
88.31319	1.9
91.05495	2.3
93.07046	10.1
95.04995	2.9
95.08619	9.7
97.10164	2.4
99.04460	3.1
100.54765	1.6
105.07028	8.6
106.24667	1.8
107.04945	1.7
107.08577	3.6
109.02883	2.3
109.10175	2.1
117.07020	2.9
119.08595	11.4
120.45199	1.6
121.10146	4.0
126.45441	1.9
129.07002	8.5
133.10149	8.8
141.07021	3.6
143.08572	8.1
143.20871	1.8
145.10139	7.8
155.08542	10.3
157.10178	14.1
159.11681	7.7
168.09306	2.2
169.10138	21.8
171.11714	15.7
181.10034	1.9
183.11685	38.5
195.11679	2.5
196.12396	3.6
197.13258	33.0
209.13309	2.5
211.14844	3.8
224.15619	1.9
239.10736	2.5
239.14378	3.7
239.17947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83282	1.5
53.00315	1.9
55.05523	15.2
57.07083	100.0
60.27028	1.4
62.00726	1.4
67.05512	40.9
69.07068	21.1
71.08633	60.9
81.07063	39.0
83.08627	33.5
85.06529	2.1
85.10185	30.0
92.21575	2.6
95.08006	2.2
95.08610	63.8
97.10180	9.7
109.10185	21.2
123.11713	7.0
125.48920	2.1
186.03090	1.8
192.50714	2.1
218.77802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.7
57.07083	100.0
61.29731	3.1
67.05515	34.9
69.07059	16.0
71.08633	54.6
80.36362	3.1
81.07051	28.8
83.08636	22.9
85.10190	26.8
88.93024	2.6
95.08607	47.9
97.10150	6.5
109.10177	22.6
110.18613	3.3
127.42981	3.0
131.28705	3.1
183.02145	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85845	3.7
57.53465	4.0
64.41541	4.0
89.22661	4.0
93.25129	4.2
98.64130	4.1
134.08064	4.1
153.01228	4.1
156.97491	72.8
174.98557	79.8
195.39825	4.0
198.00186	4.9
198.98555	63.9
205.81367	4.2
216.99609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20971	0.6
57.39953	0.6
58.29796	0.7
60.38888	0.7
62.68336	0.7
65.83660	0.7
69.03411	3.1
77.89381	0.7
87.04471	82.1
92.05005	1.1
93.03390	0.7
110.06044	14.7
136.03934	15.8
141.09177	0.7
148.07578	5.1
154.03728	1.8
154.04990	47.3
176.07047	1.3
204.06557	100.0
222.07603	20.1
240.08647	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	4.4
70.49693	1.1
71.99644	1.1
74.64640	1.0
80.05047	1.1
87.04468	93.7
92.05006	1.3
99.04484	1.5
107.69971	1.1
110.06053	17.1
111.04400	1.3
132.25249	1.1
136.03947	13.8
142.03214	1.2
144.55534	2.5
148.07570	5.4
154.04994	45.5
159.55949	2.0
178.08592	4.0
186.05437	1.2
204.06549	100.0
222.07631	21.3
224.26195	1.1
240.08611	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83041	0.1
63.52049	0.1
72.84824	0.1
91.05456	0.2
103.05433	0.2
104.05048	0.2
109.91882	0.1
134.06056	0.2
135.04350	0.5
136.07594	0.2
137.05995	0.3
148.04729	0.3
162.05492	1.4
194.88327	0.2
223.07556	0.2
225.07835	1.1
240.10185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1016
Annotation	Aspergillitine
Peak:m/z	Relative Intensity
51.15234	0.2
60.10189	0.2
64.57815	0.2
82.60276	0.2
84.46111	0.2
136.07579	1.1
137.06012	0.5
137.09564	0.3
162.05443	0.5
208.27644	0.3
222.76872	0.3
225.07851	0.7
226.46222	0.3
237.60234	0.3
240.10167	100.0
246.30345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46437	0.2
61.91428	0.2
65.51469	0.2
65.52769	0.2
75.04182	0.2
98.63738	0.2
103.05466	0.3
121.06516	0.2
130.06512	0.2
135.04427	0.5
137.05954	0.3
162.05478	1.4
180.51791	0.2
181.62584	0.2
187.26544	0.2
225.07880	1.0
240.10179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83041	0.1
63.52049	0.1
72.84824	0.1
91.05456	0.2
103.05433	0.2
104.05048	0.2
109.91882	0.1
134.06056	0.2
135.04350	0.5
136.07594	0.2
137.05995	0.3
148.04729	0.3
162.05492	1.4
194.88327	0.2
223.07556	0.2
225.07835	1.1
240.10185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13020	0.7
56.05026	5.2
56.85454	0.8
58.06604	9.8
63.67496	0.9
64.62015	0.8
66.28747	0.9
74.06081	36.3
91.05451	1.1
101.36707	0.9
107.04977	1.2
111.04437	0.9
116.44257	0.9
118.61298	0.8
119.04925	4.6
119.66517	0.9
135.04401	5.1
137.05980	1.7
139.03899	1.1
149.05977	5.7
151.07538	11.3
153.05438	5.2
154.05028	1.0
167.06955	1.9
177.05467	56.0
179.07060	8.2
190.08632	1.2
191.09343	0.9
193.53366	0.9
194.11809	1.7
195.06532	100.0
222.11243	26.0
230.47786	1.0
240.08588	5.3
240.12285	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62843	0.7
57.53635	0.7
58.06605	14.6
58.60064	0.9
59.96063	0.8
62.11993	0.7
66.69795	0.7
66.86992	0.7
67.48654	0.7
75.03640	0.7
117.03381	0.8
149.06004	6.0
151.07539	1.9
163.03909	2.0
167.07048	1.3
177.05463	69.9
179.06975	7.1
195.06538	100.0
204.10184	1.8
222.11261	26.7
240.12296	43.2
240.15894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.2
57.07071	6.9
67.05505	21.6
69.07082	30.9
71.05015	3.8
71.08617	11.9
79.05495	6.6
81.07063	31.1
83.08618	27.6
85.40477	2.7
86.06089	4.6
93.07047	21.9
95.08617	43.2
97.06550	6.3
97.10167	28.8
98.97584	20.8
99.08093	3.8
100.07591	4.2
105.98529	3.2
107.08611	17.0
109.10157	17.0
109.45839	3.0
111.08051	5.4
114.09187	4.1
116.97234	13.6
116.98608	13.8
121.10142	26.5
124.11198	7.1
131.99466	3.3
134.99718	3.6
135.11697	19.4
138.12773	16.6
146.25194	3.1
152.14349	7.6
152.96959	3.2
157.97498	4.8
171.47021	3.4
175.98508	25.6
176.02277	13.5
177.16380	15.4
191.82852	4.3
194.19011	44.1
195.17363	9.8
212.20120	15.0
222.18524	4.0
240.06557	25.0
240.19632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31912	1.5
55.05519	7.8
55.28206	1.7
57.07079	14.8
57.93564	3.6
69.07066	24.8
71.08636	4.0
71.73682	1.9
72.08144	4.0
74.58119	1.7
81.07052	9.0
83.08636	22.4
85.10186	2.1
86.06082	3.9
86.95073	1.7
93.07062	4.2
95.08605	8.4
97.06536	2.8
97.10159	13.4
98.96205	2.2
100.07617	3.7
107.08595	3.4
109.10163	3.6
111.08050	3.0
111.11747	3.4
114.09154	3.9
114.11525	1.7
116.97218	75.5
121.10117	3.8
122.40630	2.0
123.11715	3.8
126.96812	1.9
128.10683	3.7
131.99551	21.9
134.95947	2.5
135.11690	10.1
139.98781	2.6
149.13208	4.1
152.96910	19.8
157.68320	2.0
157.97462	25.3
163.14862	2.5
175.98534	100.0
176.00069	3.3
198.22198	2.8
199.00084	14.8
199.01701	3.9
205.19507	10.2
223.20584	12.2
240.23239	35.3
240.26840	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41114	2.9
55.05524	31.4
57.07082	42.2
67.05505	16.1
69.07069	85.6
71.08633	26.0
72.08152	6.6
72.08958	3.2
79.05496	5.7
80.15228	3.3
81.07073	31.4
83.08627	64.3
85.06540	4.0
85.10197	7.7
86.06071	7.3
87.08480	3.4
93.07046	19.0
95.08628	26.9
97.06524	20.2
97.10162	44.1
98.92956	3.2
100.07623	18.0
107.08613	16.3
109.10165	20.1
111.08089	13.3
111.11727	13.9
114.09152	21.5
116.97239	14.0
121.10149	14.5
123.11673	6.9
125.09635	6.2
131.99556	7.3
135.11688	19.0
139.11194	5.0
149.13251	8.0
153.12779	5.5
155.02841	3.5
175.98582	18.1
194.19019	4.8
199.01639	6.4
205.19524	27.3
223.20471	31.5
240.19676	12.4
240.23196	90.7
240.26862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	35.7
56.30534	4.2
57.07094	30.8
67.05500	17.0
67.44618	3.4
69.07072	81.9
69.70605	3.6
71.08639	24.8
72.08150	6.8
81.07065	17.9
83.08624	70.1
85.10185	7.9
86.06077	6.9
88.26826	3.9
93.07020	7.8
93.64473	3.9
95.08605	23.3
97.06526	9.5
97.10189	28.6
100.07622	14.3
107.08581	16.5
109.10171	16.5
111.08095	10.2
111.11736	5.7
114.09173	20.9
116.97225	39.5
121.10146	18.5
123.11729	5.2
125.09578	5.6
127.09542	4.3
128.10686	5.4
128.78990	3.9
131.99556	18.5
135.11703	17.5
139.11206	4.2
143.94521	4.1
149.13307	8.4
152.96930	18.0
153.12718	4.0
157.97478	16.0
163.14839	4.8
175.98499	65.4
192.54512	4.6
199.00113	5.9
205.19562	34.3
223.20451	30.7
232.11694	4.3
238.59770	3.7
240.06624	4.6
240.23228	100.0
240.26860	95.7
256.92191	4.2
259.17184	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08436	2.1
55.05520	32.3
57.06824	3.6
57.07084	74.7
57.93578	2.2
58.07412	9.9
67.05499	20.3
68.05855	2.8
69.07069	93.5
71.08628	42.6
72.04518	3.7
72.08136	3.7
72.08949	5.9
75.94642	2.1
79.05499	6.0
79.42388	2.1
81.07056	35.8
82.07397	4.8
83.05005	2.5
83.08623	83.2
84.08929	3.2
85.06565	3.3
85.10188	19.3
86.06053	12.0
86.10532	4.0
90.71909	2.3
92.69723	2.2
93.07043	19.9
95.08602	51.7
96.08961	5.8
97.06521	15.7
97.10181	37.5
98.97617	8.1
100.07597	23.0
107.08612	15.4
109.10144	21.0
110.10470	3.4
111.08083	20.0
111.11690	17.4
114.09168	20.3
115.66759	2.6
116.97218	53.8
116.98580	4.9
121.10140	20.5
123.11702	14.5
125.09631	11.0
125.13261	3.0
128.10718	13.6
131.99527	20.3
134.95903	3.0
135.11714	23.8
137.13297	3.7
139.11182	3.7
142.12257	3.2
149.13263	16.0
150.19461	2.6
152.96892	13.6
156.13756	2.5
157.97496	16.9
163.14810	3.6
170.08112	2.4
175.98521	73.3
198.22267	4.4
199.00104	3.6
205.19511	39.6
223.20573	26.8
240.23201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98606	0.7
55.05516	1.5
56.05377	0.7
57.07081	9.1
57.67400	0.7
58.06597	2.0
65.18791	0.7
67.05498	5.0
69.03442	0.8
69.07082	1.8
71.08624	5.3
76.15788	1.0
79.05480	3.5
81.07063	9.4
83.08607	4.1
85.10172	5.4
87.25001	0.8
93.07013	6.4
95.08597	19.6
97.10148	1.9
98.97578	15.6
107.08598	6.2
109.10146	9.0
116.97217	12.2
116.98605	10.3
121.10131	5.5
123.11677	0.9
125.96212	1.0
131.08672	0.8
131.99541	7.0
134.95903	0.8
134.99637	5.6
135.11725	1.6
145.10081	1.4
152.96918	4.0
157.97447	6.4
158.01251	5.7
175.98526	20.2
176.02283	11.5
183.17401	5.7
187.14842	1.4
194.03314	1.4
199.03973	1.1
223.16927	1.9
240.06596	1.1
240.23192	100.0
241.17928	1.9
263.06763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61513	1.4
52.71141	1.4
52.73201	1.4
55.05513	13.0
55.93800	1.2
57.06853	1.5
57.07085	21.0
57.93578	2.5
58.06595	1.3
64.90818	1.2
67.05512	6.7
67.50399	1.4
69.07073	37.4
69.59956	1.2
70.47665	1.2
71.08632	9.3
72.08153	2.7
75.82405	1.3
75.94626	2.3
78.18392	1.3
79.05495	2.8
79.23952	1.3
81.07070	14.8
83.08628	28.1
85.10179	2.7
86.06076	7.4
93.07047	3.6
95.08607	13.5
97.06548	8.4
97.10177	20.2
97.34917	1.9
98.96178	7.5
98.97560	10.2
100.07630	8.1
107.08634	10.3
109.10158	9.1
111.08077	7.0
111.11706	6.2
113.98544	2.2
114.09174	9.9
116.97226	71.6
116.98631	8.2
121.10180	11.5
123.11679	5.5
125.09641	3.3
125.13297	1.6
128.10722	6.2
131.99547	27.7
134.95894	7.8
134.99672	3.2
135.11679	10.9
139.11212	2.3
149.13284	7.9
152.96954	16.2
157.97453	23.0
158.01282	1.7
170.97981	1.7
173.08556	1.7
175.98529	100.0
176.02342	2.5
193.99675	2.7
198.22183	2.9
199.00116	7.1
205.19513	17.1
218.80617	1.7
223.20544	9.9
226.27234	1.5
240.23232	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84042	0.5
55.05519	1.2
57.07088	4.0
57.93566	1.3
67.05506	1.1
69.07079	4.7
71.08630	2.9
72.04513	6.2
75.94606	2.4
81.07065	1.2
83.08618	4.8
85.10183	1.3
85.88457	0.7
86.58042	0.5
93.07049	1.0
93.95630	0.8
95.08614	1.3
97.06565	0.8
97.10167	3.0
98.96178	3.6
98.97566	5.3
100.07594	0.9
107.08588	0.8
109.10137	1.0
111.08050	1.0
111.11694	0.7
113.98484	0.8
114.09200	0.8
116.97219	63.8
116.98602	4.5
118.77842	0.6
121.10124	2.4
125.09518	0.7
126.96707	0.7
131.99551	21.8
134.95883	6.4
134.99655	2.7
135.11674	1.0
139.98775	2.6
148.96217	0.9
149.13263	1.0
152.96935	18.4
155.01231	1.0
157.97456	24.2
157.98732	1.1
170.97942	3.3
175.98521	100.0
176.02151	4.3
193.99564	1.0
194.94583	0.6
199.00124	8.2
205.19472	2.4
213.02124	0.6
223.20605	2.2
240.23198	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64076	0.7
53.03943	0.7
55.05524	1.0
55.86575	0.7
56.96572	1.1
57.03410	0.9
58.06594	5.3
61.02924	1.3
67.05523	0.8
67.48550	0.6
69.03418	1.7
71.05011	0.9
73.02905	3.0
73.90459	0.7
81.03420	4.7
83.04955	0.9
84.08132	1.8
85.02911	6.6
87.04488	1.0
92.20821	0.7
97.02868	3.5
98.97582	3.1
99.04453	7.3
101.00887	1.1
102.00945	1.0
104.10751	16.2
114.00704	0.7
116.98630	1.3
119.01904	4.2
120.02011	1.5
127.03947	1.7
128.10712	3.5
131.00140	0.9
133.03436	1.8
143.01924	3.6
149.01233	1.8
151.04422	1.4
158.03593	1.0
158.99644	1.6
160.04800	1.1
161.02907	5.7
167.02164	1.0
169.04491	5.5
171.23749	0.8
173.02975	1.6
175.04507	1.5
176.04680	1.4
177.00598	1.0
177.04166	0.9
177.07394	0.9
178.04921	1.5
182.03568	1.0
185.02829	1.5
187.04463	1.0
188.04675	1.1
193.03835	1.0
196.09674	3.6
199.04498	10.1
200.04643	11.2
201.06215	0.9
203.03961	1.2
215.63062	0.8
217.05574	3.1
218.05721	6.7
241.01208	1.0
241.05762	1.7
241.11691	3.7
241.15450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07032	0.2
54.97702	0.2
58.06603	4.4
59.99038	0.2
70.06580	0.4
84.07754	0.2
84.08159	3.2
98.09696	0.3
121.88297	0.3
128.10733	2.3
136.50194	0.2
144.10286	0.3
163.44289	0.3
196.09721	3.1
241.01086	0.4
241.15457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	3.0
79.31600	3.4
88.15652	3.1
109.76922	3.2
149.79167	3.2
160.93417	2.9
241.01103	14.4
241.15422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.27296	2.6
55.05511	15.9
57.03189	4.2
57.03444	94.7
67.05518	25.8
69.07076	6.8
71.01365	6.9
71.04964	4.6
79.05500	56.3
81.03433	5.5
81.07065	18.2
83.04964	14.6
83.08618	32.2
91.05470	21.7
93.07047	98.6
95.08601	31.6
98.97609	4.6
105.07032	7.2
107.08566	6.8
109.10178	3.4
121.10145	100.0
123.08107	3.4
128.59521	3.9
131.08566	21.2
136.45073	3.2
139.11171	33.9
142.42004	3.3
149.09631	14.7
167.10605	25.4
169.04440	3.5
171.11615	4.4
179.18872	3.2
185.13223	4.9
220.22437	3.1
241.14156	50.3
241.19444	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.61501	1.6
51.25046	1.4
53.03956	1.8
55.05520	14.8
57.03445	100.0
66.69762	1.5
67.05507	24.5
69.07063	7.7
71.01357	7.4
71.05000	2.4
74.28747	1.5
78.41340	1.6
79.05083	2.3
79.05505	55.9
81.03413	3.1
81.07069	19.8
83.04976	10.9
83.08631	32.5
91.05447	6.0
93.07040	77.3
95.04940	2.0
95.08596	23.3
96.53017	1.7
97.06560	3.1
97.10136	2.2
98.97628	2.0
105.07033	9.9
107.04931	2.3
107.08585	9.5
119.08599	3.7
121.10143	77.6
131.08557	14.2
139.11201	25.0
143.08600	2.2
144.96983	1.7
145.58112	1.8
149.09610	13.4
159.11731	9.7
167.10663	14.7
171.11664	1.8
173.13383	1.7
185.13293	9.1
199.14751	3.0
241.14200	37.2
241.19576	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61501	1.6
51.25046	1.4
53.03956	1.8
55.05520	14.8
57.03445	100.0
66.69762	1.5
67.05507	24.5
69.07063	7.7
71.01357	7.4
71.05000	2.4
74.28747	1.5
78.41340	1.6
79.05083	2.3
79.05505	55.9
81.03413	3.1
81.07069	19.8
83.04976	10.9
83.08631	32.5
91.05447	6.0
93.07040	77.3
95.04940	2.0
95.08596	23.3
96.53017	1.7
97.06560	3.1
97.10136	2.2
98.97628	2.0
105.07033	9.9
107.04931	2.3
107.08585	9.5
119.08599	3.7
121.10143	77.6
131.08557	14.2
139.11201	25.0
143.08600	2.2
144.96983	1.7
145.58112	1.8
149.09610	13.4
159.11731	9.7
167.10663	14.7
171.11664	1.8
173.13383	1.7
185.13293	9.1
199.14751	3.0
241.14200	37.2
241.19576	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42006	1.0
55.05526	10.2
57.03445	100.0
67.05509	22.4
69.07063	10.3
71.01350	7.0
71.05005	2.4
79.05497	64.1
81.03419	5.3
81.07056	18.0
83.04983	17.8
83.08624	33.5
91.05499	6.7
93.07046	98.1
95.04952	2.8
95.08621	28.0
97.06526	3.1
98.97579	3.1
103.03942	1.8
105.07043	5.8
107.08601	10.4
109.10117	2.1
111.08107	1.4
116.98599	3.1
119.08566	5.1
121.10143	84.1
123.08044	1.8
131.08586	13.4
134.99652	1.9
139.11192	19.6
145.10138	1.5
145.22144	1.5
149.09616	9.7
157.10179	1.4
167.10623	11.9
171.11736	2.3
175.98473	1.5
185.11748	1.5
185.13277	4.8
192.55095	9.0
199.14806	2.3
204.05847	2.4
228.29366	1.3
241.14293	36.7
241.16548	1.7
241.19427	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51344	1.7
52.01419	2.1
52.60526	2.1
55.05518	5.8
57.03444	100.0
57.33098	2.4
60.82426	2.1
65.30785	2.1
67.05505	26.6
67.60257	2.4
69.03448	3.6
69.07066	6.2
71.01353	12.2
71.04993	3.0
71.91943	2.8
77.26259	2.3
79.05500	50.5
81.03407	6.1
81.07055	16.2
83.04974	16.4
83.08612	33.3
85.95686	2.3
91.05468	10.4
93.07036	91.4
95.05022	2.7
95.08600	20.2
105.07019	2.8
107.08602	6.2
109.10154	3.1
121.10139	73.6
124.11833	2.9
131.08542	12.0
139.11176	21.0
149.09616	15.6
167.10687	14.7
171.11740	2.6
241.08684	2.8
241.14220	37.0
241.19547	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.3
57.03183	5.1
57.03444	97.4
58.06591	4.0
63.46672	2.8
67.05517	33.7
67.59058	2.8
69.07073	7.8
71.01347	7.1
71.05003	4.2
71.29356	2.9
72.71364	2.9
79.05499	68.6
79.35909	3.3
81.03408	4.7
81.07050	19.7
83.04984	16.2
83.08624	35.5
84.75200	2.8
91.00065	3.0
91.05473	7.3
93.07040	95.6
95.08617	30.2
97.06490	3.0
98.97579	5.5
105.07067	6.1
107.04936	4.5
107.08602	17.3
109.10183	12.5
116.98635	3.9
119.08575	5.3
121.06527	4.2
121.10146	100.0
131.08604	18.2
139.11150	29.1
149.09633	20.2
167.10670	20.2
175.41655	3.5
230.45093	3.5
241.14282	43.2
241.19408	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14372	0.2
52.53172	0.2
52.91732	0.2
58.06599	5.5
60.39689	0.2
70.06554	0.3
73.02941	0.3
73.44131	0.3
73.68956	0.2
83.49082	0.3
84.08140	2.8
91.71804	0.2
97.02877	0.4
98.09686	0.4
99.04467	0.4
101.00868	0.4
104.10713	0.5
116.35007	0.3
128.00969	0.3
128.10707	1.9
143.01830	0.5
144.10214	0.4
167.24162	0.3
196.09706	3.5
199.04507	0.7
200.04010	0.5
241.15450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06349	0.3
58.06604	4.6
81.54234	0.2
84.08141	2.7
84.83176	0.2
90.06301	0.2
92.20838	0.3
97.96146	0.2
98.09661	0.4
126.09081	0.3
128.10710	2.2
144.10159	0.3
196.09692	2.9
207.13155	0.2
241.15450	100.0
247.67552	0.3
248.95830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.05960	0.2
56.90797	0.3
57.42504	0.3
58.06601	4.9
61.35085	0.2
70.02006	0.3
70.06584	0.6
84.08144	2.5
97.98565	0.3
98.09702	0.6
101.50712	0.3
106.44812	0.3
126.05477	0.4
128.10712	2.2
144.10136	0.3
153.08046	0.3
184.98999	0.3
196.09714	3.6
199.04457	0.4
241.15448	100.0
254.37476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31792	1.5
55.05465	1.9
57.07088	5.2
69.07078	3.5
71.08636	2.3
85.67103	1.7
88.75060	2.1
93.07029	2.7
98.97600	4.1
105.07043	3.7
116.97208	3.8
116.98637	2.9
117.07043	20.0
121.10110	4.0
129.07028	16.7
131.08565	15.7
134.99696	3.4
138.98564	2.0
143.08591	16.9
145.10237	2.4
147.11667	9.7
151.45047	2.0
156.94745	2.1
157.10121	4.5
161.13243	3.8
171.11707	20.0
173.13229	33.1
173.31868	2.6
185.13255	31.9
198.86502	2.4
199.14825	32.4
208.40279	2.1
226.24843	2.4
241.15797	3.2
241.19511	100.0
241.23422	6.8
254.33743	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.2
60.19478	1.9
61.88423	1.9
61.96967	2.1
67.05529	2.2
79.05482	2.3
84.27646	2.6
84.88899	2.0
91.05448	2.7
95.08598	2.7
116.97285	2.7
116.98635	3.4
117.07024	9.4
129.06989	18.5
131.08589	11.3
143.08563	19.0
147.11757	2.3
157.10144	18.4
159.11699	4.3
171.11684	21.4
173.13229	12.4
175.98567	3.6
176.98872	3.1
185.13257	23.2
199.14822	22.9
241.08620	3.2
241.12228	3.8
241.19516	100.0
241.21851	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
58.22416	1.8
67.05505	2.7
69.07069	9.4
71.08630	3.0
76.17096	1.9
79.05524	2.2
80.61974	2.5
81.07053	4.0
83.08626	2.5
89.57140	1.9
93.07043	2.4
95.08609	2.5
98.97576	4.1
105.06978	4.1
107.08592	3.0
116.97215	19.6
116.98604	8.7
117.07039	12.4
119.08614	3.5
129.07048	16.3
131.08563	13.5
131.99565	3.3
134.99658	5.4
143.08575	18.4
147.11717	2.6
147.53255	2.2
157.10135	5.3
158.97861	3.4
159.11697	9.5
161.13293	5.5
171.11693	22.5
173.13252	20.3
173.54291	2.3
175.98553	12.2
176.98799	11.5
185.13274	26.5
199.14789	31.3
213.16396	3.2
241.15933	21.6
241.19524	100.0
241.23436	2.7
255.49959	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66781	2.8
51.61345	3.0
63.49842	4.1
63.50567	4.0
69.03419	5.6
70.06578	3.5
73.02925	4.9
81.03416	7.4
82.99855	4.1
85.02898	20.0
87.04449	16.1
97.02895	15.2
98.97581	5.0
99.04470	4.6
101.00877	5.6
108.04467	6.1
109.02861	4.2
114.06637	6.5
119.01928	43.9
127.03883	5.6
128.98566	4.3
131.01855	9.2
133.03467	6.9
137.02992	5.8
138.05510	9.0
145.04953	5.4
152.04999	53.2
155.01857	7.3
156.06580	5.0
158.99643	4.9
159.05075	14.9
160.19102	4.2
161.05574	7.9
173.02963	31.9
191.03876	5.5
194.08171	16.5
201.00642	3.9
201.02443	94.9
201.04256	6.4
201.06075	15.9
201.31046	3.8
206.96088	3.8
219.01564	7.8
219.03485	100.0
219.05443	7.7
224.09152	5.5
237.02734	4.9
242.04272	15.2
242.10228	23.2
242.13725	7.5
242.15869	66.4
251.05890	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64463	2.5
74.07256	3.3
81.07060	3.5
81.27064	3.0
85.07179	3.0
90.44057	2.9
95.08607	4.6
109.10159	3.5
145.90866	3.5
153.01959	3.8
172.42354	3.2
189.16397	3.9
242.05766	100.0
242.08049	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74496	3.8
62.75472	4.0
66.62173	3.2
67.05508	4.7
72.12904	3.6
78.16496	2.8
81.07072	5.0
86.33421	3.8
91.00213	4.2
93.06980	3.7
95.08621	7.4
102.83818	4.4
111.42490	3.5
119.08559	4.3
125.43724	4.2
153.01871	7.1
157.81439	3.6
159.79008	3.8
161.13287	4.3
224.16611	4.3
242.05695	100.0
242.08037	6.7
242.14275	6.2
242.19884	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.081
Annotation	Lansine
Peak:m/z	Relative Intensity
55.05514	3.0
57.07087	0.6
63.05069	0.3
67.05518	3.6
69.07065	3.0
69.94823	0.3
71.04990	1.7
81.07060	8.4
83.08631	8.0
85.06528	0.5
91.05470	0.5
93.07024	0.7
95.08614	14.4
97.10174	5.9
99.08074	0.4
100.23499	0.3
105.07024	0.3
107.08577	2.3
109.10155	10.1
111.08045	0.7
111.11717	0.5
114.87972	0.3
115.11217	0.7
118.96790	2.2
119.08586	0.5
121.10122	0.6
123.11688	4.8
125.09548	0.4
133.10115	1.5
133.99115	0.5
137.13260	0.6
147.11693	0.5
149.13249	1.3
154.96599	0.4
170.05992	1.9
171.06866	0.5
177.98105	2.9
179.17929	2.2
181.39758	0.3
182.06000	0.4
189.16388	2.8
197.19067	0.8
198.05489	0.4
199.06265	1.3
207.17419	0.5
210.05443	5.0
227.05763	33.3
242.08107	100.0
242.21013	2.4
242.28319	0.7
243.19537	19.2
243.22018	0.8
257.27701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23611	0.7
51.74141	0.6
52.15398	0.6
53.09394	0.8
53.09644	0.8
54.03397	0.7
55.05506	1.2
56.05021	1.4
57.40895	0.7
61.61587	0.9
72.15103	0.7
79.42387	0.8
84.08128	1.1
87.04429	1.2
99.04453	40.5
112.07523	4.3
124.07574	0.8
128.07076	100.0
131.98936	0.9
136.06091	1.2
142.04919	4.9
142.08615	5.8
142.92775	0.8
144.06552	15.1
147.50172	0.8
156.06543	93.5
177.97975	0.9
196.13107	1.1
215.82478	0.9
229.01552	0.8
242.10007	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1172
Annotation	Carbazomycin B
Peak:m/z	Relative Intensity
50.68862	0.4
51.84343	0.5
59.33912	0.4
87.04468	52.4
92.05836	0.6
98.97565	0.8
119.04959	0.8
123.15303	0.6
133.67627	0.5
140.34792	0.6
147.04478	1.3
155.03444	0.7
156.08080	100.0
163.05807	1.2
175.03891	4.6
177.98004	0.7
207.06493	6.6
222.24387	0.6
242.11749	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77569	0.4
68.45862	0.4
82.83241	0.5
87.04472	55.9
126.76971	0.5
130.20207	0.5
155.98305	0.6
156.08089	100.0
166.97113	0.5
242.11757	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1174
Annotation	Carbazomycin B
Peak:m/z	Relative Intensity
53.38570	0.9
59.51679	0.7
59.55317	0.8
63.27960	0.8
87.04467	60.7
87.04997	2.0
88.13068	0.9
122.06019	10.0
156.08084	100.0
177.98016	1.1
186.49542	0.9
196.11217	6.5
201.47049	1.3
242.11752	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77569	0.4
68.45862	0.4
82.83241	0.5
87.04472	55.9
126.76971	0.5
130.20207	0.5
155.98305	0.6
156.08089	100.0
166.97113	0.5
242.11757	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1384
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
50.63074	0.3
56.05040	0.8
59.78341	0.3
69.03429	0.5
70.06593	0.8
71.73407	0.4
81.98547	0.3
84.08143	100.0
85.02888	0.6
86.06071	0.4
86.09711	0.7
87.04461	0.5
92.20968	0.5
107.04974	2.1
111.04483	0.4
113.06011	0.7
126.05517	0.4
126.09178	0.8
129.10197	0.7
133.56613	0.4
136.06186	5.9
144.10194	1.6
156.06517	0.5
182.08208	0.5
196.09631	0.5
199.96068	0.4
200.09178	0.4
224.09177	1.4
242.13834	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.07071	3.3
67.05518	17.5
69.07071	14.6
71.04993	4.6
79.05485	2.2
81.07060	47.2
83.08627	49.5
83.61521	1.8
85.06554	3.0
93.07057	8.0
95.08610	74.7
97.10165	24.4
105.07014	2.2
107.08575	4.3
109.10165	51.0
111.08097	4.2
113.09646	2.0
115.11183	3.6
118.96718	2.4
121.10114	3.0
123.11713	24.6
133.10129	7.4
137.13251	3.9
147.11678	3.6
149.13269	8.4
154.96420	1.9
177.98074	3.8
179.17967	12.4
189.16344	14.6
197.18959	3.8
207.52518	2.3
225.18481	3.4
242.21114	13.2
243.19540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98282	1.1
55.05523	27.0
57.07080	5.3
65.80885	1.2
67.05183	1.9
67.05513	40.5
68.23406	1.1
69.07074	33.5
69.32031	1.2
71.05019	1.7
71.08637	1.4
71.64241	1.2
79.05501	5.8
80.67406	1.2
81.07065	59.3
81.07542	1.9
83.08626	29.8
85.06520	4.5
91.05498	2.6
93.07034	10.0
95.08608	100.0
97.06502	2.4
97.10172	40.0
99.08059	5.0
105.07052	2.0
107.08609	13.5
107.13494	1.2
109.10157	50.7
111.08080	2.0
111.11719	8.3
118.96748	5.8
119.08585	8.8
121.10193	9.4
121.10917	1.2
123.08041	1.6
123.11718	19.3
125.09645	8.4
133.10130	13.4
135.11716	1.4
137.09593	6.6
137.13235	2.2
143.10739	1.6
147.11719	11.0
149.13306	2.0
151.11133	3.0
154.96475	2.0
161.13289	2.4
163.14793	2.8
165.16521	1.7
177.98074	8.5
189.16382	35.9
193.78761	1.6
207.17455	18.7
222.98792	1.4
224.20055	1.8
225.18573	7.5
242.21336	12.1
242.24690	1.9
243.19437	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08327	0.4
56.05030	0.7
57.07081	1.3
58.06604	0.6
71.08647	0.5
74.06078	3.4
88.07631	100.0
118.96743	2.7
154.37831	0.6
177.30666	0.5
177.98053	2.3
192.59198	0.6
212.23718	2.5
242.19551	0.8
242.24760	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.94912	0.5
56.05040	1.1
57.07073	1.2
58.06610	0.7
63.49016	0.5
71.08633	0.7
74.06077	3.6
88.07632	100.0
106.55271	0.5
112.61356	0.5
120.68654	0.5
133.99095	0.6
147.21066	0.5
157.28400	0.5
161.72525	0.5
165.66107	0.5
167.40265	0.6
172.87491	0.6
177.98071	0.7
196.20537	0.5
200.04384	2.7
202.54630	2.4
208.03169	1.1
211.55209	3.4
242.24773	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99217	1.0
57.07097	10.3
67.15285	1.1
71.08633	2.5
71.23685	1.2
73.29800	1.1
74.06084	1.7
74.34688	1.2
75.14194	1.2
75.14634	1.3
81.07042	1.2
83.75610	1.1
86.56051	1.3
88.07627	19.9
90.02100	1.1
94.47780	1.2
95.08546	1.7
102.09177	7.2
116.10677	1.6
118.96761	18.1
133.99083	7.0
154.96471	6.1
159.96988	6.4
177.98041	32.4
178.36751	1.5
242.24767	100.0
242.28352	18.3
263.74295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40538	2.9
55.05511	4.6
57.07052	4.3
66.35336	3.5
67.05502	9.7
71.08646	6.0
81.07066	8.2
83.08609	8.3
88.07632	19.8
90.70516	3.5
95.08591	17.0
97.10163	5.0
108.06571	3.9
109.10162	6.1
118.96755	68.7
133.99083	15.7
136.95401	4.8
141.98288	6.3
154.96504	25.4
159.96999	25.7
169.11658	8.5
177.98050	100.0
242.08133	4.1
242.24763	97.1
242.28381	59.9
255.70901	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48050	1.3
62.81694	1.6
64.70592	1.4
65.08097	1.6
67.42199	1.3
87.76083	1.4
91.67300	1.7
99.04424	1.6
102.51144	1.5
119.01922	7.0
137.02977	1.8
142.03529	3.5
142.41396	1.8
160.04543	21.1
177.00896	7.4
178.05615	2.4
179.44182	1.6
201.02502	2.2
217.04050	2.1
219.01987	26.6
219.03848	2.1
220.02133	17.5
225.07262	1.6
243.01720	11.3
261.03055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31630	2.5
65.10063	2.6
66.76761	3.0
71.94073	5.9
79.29211	4.2
84.08127	2.9
85.02863	2.9
94.06567	4.5
96.97185	5.1
97.02885	3.8
99.04494	3.8
99.97193	6.9
110.07188	5.2
112.96729	7.8
115.96658	6.7
117.03994	4.1
122.32433	3.2
127.00002	15.2
131.01895	4.7
139.03653	14.3
143.01830	3.2
145.03430	48.9
147.01358	5.8
147.99342	4.7
157.03481	8.0
159.95616	64.1
163.04488	79.4
173.03024	4.0
175.04588	22.8
177.96674	29.7
181.05583	5.8
183.01405	4.6
189.02443	3.9
193.05582	29.8
197.16454	34.5
199.05685	5.3
201.02420	6.8
207.03635	3.6
219.97771	25.0
237.98758	4.1
243.04825	77.0
243.17104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02221	1.6
53.03947	13.1
55.05506	3.9
55.93526	2.9
56.96545	2.5
57.03448	4.4
59.60192	2.0
60.74745	1.7
61.02920	3.4
69.03443	2.9
71.04999	2.2
72.08154	2.7
72.93786	4.1
76.79469	2.1
78.99918	2.1
80.04987	2.1
81.03433	36.6
84.08144	2.9
85.02907	87.2
86.09712	3.0
87.04468	4.8
89.94030	3.4
90.94784	2.4
91.05490	10.5
95.04971	8.8
96.04527	2.2
97.02901	5.1
99.04455	95.6
102.94765	2.1
107.04986	4.0
109.02883	14.1
109.06541	5.4
114.09140	9.3
117.05491	61.5
119.04944	2.6
123.04435	11.3
127.00041	12.9
127.03922	18.2
133.02844	5.2
137.06001	17.5
138.05516	10.9
139.03699	10.6
140.04666	59.6
141.05519	2.6
145.03491	15.5
145.04938	19.5
145.96591	3.4
149.96095	10.8
151.07536	8.3
154.08588	3.1
155.07027	52.9
163.04539	24.9
165.05432	14.7
167.97255	2.5
173.96063	2.7
175.04573	3.2
175.19420	2.1
178.98488	2.8
179.05441	2.3
179.07057	12.2
180.04121	10.8
180.06567	11.3
181.04938	55.0
182.57007	2.6
184.06076	2.3
191.97147	5.2
193.05119	16.1
195.06537	5.3
197.07982	2.3
199.05798	10.0
207.06480	24.1
208.06131	4.0
211.57361	3.5
212.05504	5.3
213.56180	4.1
219.96585	5.0
225.07565	11.2
226.07108	11.3
234.57582	5.2
243.04781	100.0
243.08510	27.7
243.11259	10.9
243.13379	3.3
244.08311	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03984	1.0
53.03958	15.0
57.03438	2.7
67.05487	1.3
69.03433	11.4
70.06609	1.6
71.04980	6.8
73.02907	1.6
81.03420	47.8
81.07038	1.8
84.44138	1.0
85.02895	15.7
92.01131	1.1
95.04969	1.9
97.02884	26.2
99.04456	100.0
101.02411	1.8
101.67160	1.4
107.04949	1.4
109.02857	15.9
109.06539	1.8
114.09171	7.0
117.05472	7.9
121.06479	1.8
123.04413	2.1
127.00027	2.2
127.03900	8.0
137.06029	4.7
139.03685	8.0
140.04678	6.9
145.03490	5.2
145.04965	2.3
151.07439	1.2
155.07008	10.8
163.04556	9.7
165.05473	2.5
175.04440	1.4
180.04134	1.8
181.04982	6.7
193.05165	2.8
199.05675	2.7
207.06563	5.0
232.20343	1.3
238.91505	1.3
243.04709	31.3
243.08546	14.7
243.10864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
53.03961	12.4
55.05498	1.7
56.06689	0.9
57.03437	4.9
61.02929	1.8
68.73515	0.9
69.03436	9.3
71.04993	9.9
73.02893	1.4
79.05476	1.0
81.02946	2.0
81.03418	45.9
84.04534	1.2
84.08138	7.6
85.02906	23.6
86.09700	1.2
87.04451	1.0
89.06029	2.2
97.02890	22.4
99.04456	100.0
101.02383	1.4
109.02878	22.9
117.05493	11.2
119.04951	1.5
127.03921	12.2
140.01601	1.3
145.04944	7.2
173.79700	1.2
177.25537	1.0
179.07042	1.8
181.08630	3.8
193.81993	0.9
197.02954	1.7
197.06056	1.3
207.06522	1.6
220.04617	1.2
225.07516	1.6
235.39267	1.1
243.06467	1.7
243.08574	14.0
243.11258	13.1
243.17151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.8
55.01865	1.1
57.03436	3.8
67.59811	0.5
69.03428	9.4
70.37576	0.6
71.05013	5.1
71.05314	0.5
73.02921	37.5
73.09491	0.5
81.03423	28.8
81.07024	0.8
84.06765	0.7
85.02911	7.5
87.04480	8.4
91.45258	0.7
97.02900	15.4
99.04456	100.0
101.02367	1.1
109.02879	8.2
117.07346	0.6
121.06492	1.4
121.49757	0.7
122.06777	0.8
127.03930	8.9
134.47368	0.6
151.29428	0.7
172.08633	0.9
243.08606	6.3
243.17155	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03737	0.8
53.03960	12.7
55.01854	0.8
55.60120	0.4
57.03442	10.1
69.03433	20.2
70.06595	0.9
71.01356	0.7
71.04996	9.7
71.29498	0.7
72.48550	0.6
73.02924	3.5
81.03423	67.6
83.04982	0.9
84.04499	0.8
84.08133	2.4
85.02422	1.0
85.02903	14.5
87.04440	1.3
95.04877	0.6
96.04474	0.6
97.02893	30.4
99.04456	100.0
100.07656	1.3
101.02383	8.2
109.02882	24.7
109.59379	0.6
114.84239	0.7
127.03923	13.2
132.02072	0.6
138.05515	0.5
140.01781	0.8
143.93295	0.5
143.94701	0.6
145.00671	0.6
145.04980	1.2
163.01869	0.7
188.49176	0.6
243.04738	0.8
243.08534	16.4
243.10571	1.6
243.13356	6.1
243.16936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	1,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
Peak:m/z	Relative Intensity
53.03742	0.6
53.03958	11.4
54.28828	0.5
55.01857	0.9
57.03453	4.8
61.02908	0.7
69.03111	0.6
69.03430	11.7
71.04999	8.5
73.02901	1.4
81.03426	44.7
82.74388	0.5
84.08139	1.0
85.02911	16.1
86.09682	1.4
87.95291	0.5
97.02889	27.9
99.04455	100.0
101.02356	3.6
109.02201	0.9
109.02888	17.3
117.05492	6.6
127.03901	9.5
133.82780	0.7
145.04955	2.9
181.04779	0.7
197.02965	1.1
215.08092	1.2
220.04546	0.9
225.07431	0.8
225.19830	0.7
243.08618	10.6
243.11235	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49652	0.7
53.03962	10.9
55.01872	1.9
57.03437	1.5
58.06580	1.1
59.74366	0.9
61.52424	0.9
69.03414	10.7
71.04991	8.3
73.02914	3.3
81.03421	39.3
84.08163	1.9
85.02886	4.6
91.05475	1.5
93.07053	2.0
97.02894	29.1
99.04456	81.7
101.02381	2.0
103.05477	2.3
109.02881	29.1
117.05496	0.9
121.06504	97.2
123.05507	4.7
124.61156	0.9
125.53468	1.0
127.03906	10.4
127.04995	4.6
128.07042	2.2
139.03523	1.0
140.04707	1.6
155.07004	4.0
168.06549	1.2
171.82385	0.9
179.07008	2.3
181.04994	2.1
188.86037	0.9
190.43523	0.9
197.16495	39.3
207.06396	1.2
225.07568	1.3
243.04446	1.3
243.08517	7.1
243.11301	12.3
243.17023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
56.25391	0.2
57.03443	0.6
58.51600	0.2
68.37634	0.2
69.03420	1.8
71.04990	1.2
74.88261	0.2
81.03422	5.9
84.08142	0.5
85.02904	1.6
86.09641	0.3
97.02890	4.3
99.04459	13.2
101.02341	0.6
109.02869	2.2
127.03902	1.4
181.08595	0.3
197.02937	0.6
207.06532	0.3
215.08200	2.7
243.11272	100.0
259.58994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1127
Annotation	Arenarine B
Peak:m/z	Relative Intensity
53.03944	1.6
56.25391	0.2
57.03443	0.6
58.51600	0.2
68.37634	0.2
69.03420	1.8
71.04990	1.2
74.88261	0.2
81.03422	5.9
84.08142	0.5
85.02904	1.6
86.09641	0.3
97.02890	4.3
99.04459	13.2
101.02341	0.6
109.02869	2.2
127.03902	1.4
181.08595	0.3
197.02937	0.6
207.06532	0.3
215.08200	2.7
243.11272	100.0
259.58994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27069	1.2
51.73546	1.2
53.03953	3.4
55.05523	15.7
57.03431	2.2
57.79181	1.4
61.02933	1.4
63.99001	1.3
67.05516	8.7
69.03425	9.4
69.07066	1.9
70.06581	1.6
71.05001	3.3
71.46169	1.5
73.02908	2.0
79.05489	10.1
81.03426	20.6
81.07059	14.3
83.04997	6.0
85.02912	1.9
91.05486	15.9
92.05803	3.1
93.07036	11.3
95.04960	23.9
95.08611	9.4
97.02911	8.1
97.06509	5.8
97.14098	1.5
99.04456	40.7
105.07037	43.9
107.04984	2.7
107.08595	16.4
109.02876	6.4
109.06526	9.3
109.10157	45.9
111.04431	1.6
119.08580	100.0
121.10114	9.1
123.04417	18.2
123.08083	3.6
128.15553	1.4
133.06494	6.7
133.10129	69.7
137.06068	2.2
137.09631	31.2
140.04665	7.4
147.08037	11.2
151.07523	24.6
155.07031	7.5
155.10664	6.6
161.09605	27.4
163.11171	6.8
165.09096	34.1
169.08661	2.4
179.10652	31.6
180.04131	5.7
183.06503	9.5
183.08049	2.4
183.10175	10.5
185.26233	1.6
189.09161	9.2
193.05028	2.9
197.11742	14.3
207.10149	7.0
208.08391	3.2
225.07625	6.0
226.09390	7.4
243.08600	4.7
243.12161	15.0
243.16937	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55233	0.4
52.52381	0.4
52.83651	0.4
53.03949	3.1
55.01874	0.8
57.03439	0.7
58.06615	2.0
61.87608	0.4
63.12141	0.4
66.42654	0.4
69.03422	3.0
71.04976	2.3
73.02900	0.9
76.30463	0.5
81.03427	9.8
84.04475	0.5
84.08160	2.4
85.02899	2.6
91.05495	1.2
93.07042	4.3
95.04970	0.7
97.02901	7.5
97.57607	0.5
99.04461	20.2
103.05453	2.1
109.02877	6.9
121.06506	59.7
123.04703	0.5
123.05520	4.3
123.59425	0.5
127.03922	3.2
127.04935	0.9
127.14122	0.5
138.05440	0.6
154.01947	0.7
155.02745	1.0
180.01105	0.8
197.03856	5.6
197.16493	38.4
212.87891	0.5
225.08495	0.7
243.04445	4.2
243.08705	2.1
243.11324	7.6
243.17029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.3
55.01887	1.5
60.05657	31.2
65.33232	0.9
69.03429	2.0
69.07074	25.5
70.06593	59.2
71.05005	5.1
72.08164	6.5
73.02937	1.5
77.61424	1.1
81.03416	18.3
84.04501	9.0
84.08144	4.1
85.02927	1.6
85.08498	2.1
86.09720	14.2
88.39159	1.1
97.02888	13.6
97.07614	1.3
99.04453	41.0
109.02885	27.2
112.08710	7.8
113.04110	1.1
114.10272	1.5
115.08706	9.0
116.07095	55.9
119.05038	1.9
121.06522	1.4
123.08041	1.1
127.03923	3.8
128.11852	11.3
129.06874	1.1
130.09760	18.3
132.10245	5.6
133.09749	8.1
135.04547	1.0
156.10246	4.7
158.09250	20.4
165.09111	1.9
175.11887	20.6
197.09709	2.1
197.12886	4.2
198.16008	11.7
225.09201	1.7
225.12390	1.2
225.17342	1.3
243.08720	4.6
243.14201	4.4
243.18217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.6
57.07079	2.2
57.93447	1.2
67.05498	9.6
69.07057	3.8
79.05479	2.5
81.07057	10.4
85.06519	3.7
91.05460	9.4
93.07034	6.9
95.08593	10.4
105.07008	8.1
109.10141	6.5
117.07022	6.3
119.08580	8.5
120.26443	1.6
121.10131	3.1
123.11720	2.5
131.08566	24.2
133.10124	8.9
135.11745	5.9
145.10127	18.4
147.11711	13.9
159.11694	15.9
161.13263	11.8
173.13277	20.3
175.14746	2.2
187.14853	11.4
201.16388	3.3
216.97525	1.6
226.08090	2.9
229.14381	2.1
243.08334	2.4
243.13733	2.8
243.17471	3.7
243.21074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0925
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
55.05510	0.4
70.06590	3.3
72.07375	0.4
72.08156	0.7
84.04503	0.9
84.08142	6.6
86.09712	0.8
87.04459	1.0
95.02422	1.0
97.02889	1.9
100.07619	1.0
112.05088	100.0
128.07088	1.1
129.10260	1.7
130.05000	0.8
147.11307	0.7
150.09128	0.7
166.06114	2.4
180.10211	3.8
184.07204	0.7
198.11259	6.7
226.08699	0.8
226.10484	3.5
244.06250	1.9
244.09372	2.6
244.11856	8.6
244.15988	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0968
Annotation	Isotaifine
Peak:m/z	Relative Intensity
50.11882	0.9
52.47584	0.8
54.53549	0.9
55.62774	0.9
62.46741	0.8
65.65659	1.0
79.05507	9.0
81.03471	1.2
82.22630	1.1
93.07033	1.3
96.04491	77.8
96.78903	1.0
99.04475	1.2
100.04755	1.2
103.05468	73.9
103.06157	2.8
105.06973	1.2
107.04956	43.3
108.16756	1.0
110.11625	1.0
119.53122	1.3
121.06470	1.6
129.24677	1.2
131.04926	62.5
141.65459	1.1
143.28000	1.1
149.05975	9.7
165.09154	2.4
191.10658	1.6
209.08064	5.5
227.09122	5.4
235.58342	1.4
244.09669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.4
55.01884	0.5
55.86753	0.3
58.99804	0.3
60.06271	0.4
68.04000	0.3
69.03427	0.5
70.06591	1.5
72.08151	0.6
72.36079	0.3
75.40380	0.3
77.22659	0.4
81.03403	0.7
82.03738	0.6
83.58244	0.3
84.08137	2.5
91.05488	2.1
93.07044	5.8
95.04965	2.4
96.04524	1.2
97.02863	3.2
98.06067	0.5
99.04439	2.2
100.04767	0.5
100.07626	4.5
103.05453	3.9
107.04944	0.7
109.02872	0.5
110.06042	0.5
112.05089	2.5
112.07597	4.3
116.07123	0.7
116.79768	0.4
120.08077	0.4
121.06496	100.0
122.06837	1.5
124.03955	4.9
124.07550	0.7
127.03899	0.6
128.06290	0.5
129.10240	0.4
131.04921	0.4
131.64215	0.4
136.07581	0.5
138.05635	0.4
140.07068	0.5
143.08517	3.6
144.50575	0.4
151.57005	0.3
151.58334	0.4
153.06915	0.7
162.05565	0.6
164.07091	0.8
171.08012	5.9
194.21739	0.4
196.09778	1.8
198.09163	5.3
202.04469	0.4
208.09694	10.9
226.07140	0.5
226.10674	3.8
244.06143	0.9
244.09657	14.5
244.11821	10.7
244.15459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05484	0.8
56.96577	0.9
57.03444	0.9
62.17427	0.5
64.22902	0.6
66.57966	0.7
69.03406	1.3
70.06578	2.8
71.15504	0.5
72.08168	8.8
73.02890	0.9
81.03406	3.4
82.06575	1.0
84.04498	1.6
84.08128	3.2
85.02893	1.3
85.08518	0.6
87.04458	1.6
91.05450	0.6
95.02477	1.0
96.04446	0.6
97.02897	17.3
97.06528	1.0
98.06042	1.4
98.97614	0.9
99.04437	2.6
100.07584	0.9
102.00053	0.7
110.06042	1.3
112.03973	12.2
112.05093	100.0
114.09160	0.7
115.05296	0.6
116.98579	0.8
118.02853	0.8
121.06496	0.6
126.09150	1.2
127.03931	1.2
128.07060	0.9
131.00151	0.9
136.07610	1.3
138.05516	1.6
138.09146	1.3
140.02234	0.9
141.04810	1.1
143.01884	1.3
143.05788	10.1
144.10257	0.9
146.08162	1.3
149.01169	0.9
150.09145	11.1
152.10670	1.5
154.08614	5.1
155.01917	2.3
156.03587	1.3
158.08122	1.0
161.02928	1.3
162.69685	0.7
163.04424	1.6
164.10692	1.0
168.10147	4.6
169.04433	0.9
173.02931	2.6
175.02719	1.0
178.04936	2.8
180.10164	4.3
182.11852	0.8
185.02950	1.0
191.59099	0.7
196.09705	8.0
198.11238	22.4
200.04314	0.9
200.12814	1.1
203.05249	3.5
208.09665	1.3
221.05069	1.3
226.05746	0.8
226.10709	10.1
244.11772	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
60.08169	2.8
65.73368	0.5
83.04483	0.9
83.04984	21.7
85.02907	100.0
85.52241	0.6
87.44978	0.5
90.14102	0.5
101.06017	6.3
121.06509	1.0
144.10216	2.6
149.50475	0.5
165.62454	0.5
166.04070	0.6
185.08084	20.2
244.09834	4.8
244.15424	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1542
Annotation	2-ethylacrylylcarnitine
Peak:m/z	Relative Intensity
55.05515	0.5
57.03442	0.5
60.08163	2.8
72.07056	0.4
77.28056	0.4
83.04988	17.8
85.02911	100.0
88.69219	0.4
101.06026	6.9
119.08052	0.5
144.10220	1.0
185.08096	18.9
244.09860	0.7
244.15437	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
57.07073	5.4
63.23650	1.0
64.32537	0.9
67.05508	10.3
69.07066	16.6
69.66516	0.9
70.06588	1.6
71.05003	2.5
71.08629	1.8
79.05488	1.5
81.07063	15.6
83.08614	21.1
85.06545	1.7
86.06078	1.2
88.07626	1.8
93.07046	12.7
95.08612	7.7
97.06524	8.8
97.10154	2.2
99.08075	1.2
100.07623	2.1
107.08584	9.1
109.10161	4.3
111.08066	8.6
118.08676	1.4
121.10153	7.5
123.11660	1.1
125.09639	1.5
125.13314	1.2
131.08592	1.5
135.11635	2.1
149.03499	1.0
149.13246	41.6
159.11671	5.5
166.15887	26.5
167.14291	13.9
168.82872	1.1
176.14392	1.1
177.12738	4.4
184.16962	7.5
184.20663	1.9
194.15408	2.2
195.13670	1.1
212.16429	100.0
213.14838	1.5
226.21713	1.7
230.24190	1.1
244.06097	2.3
244.18993	2.1
244.22861	8.3
245.17493	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1907
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
53.33678	1.3
54.20436	1.7
55.05519	3.7
56.19079	1.5
57.07082	4.2
67.05505	7.2
69.07075	7.5
70.94727	1.6
71.08652	2.0
78.62713	1.5
79.05483	3.6
81.07063	20.0
81.29901	1.8
83.08623	19.6
93.07030	8.1
95.08617	16.4
97.06524	7.2
97.10180	11.1
100.07594	2.7
107.08588	10.4
121.10134	11.0
123.11665	2.1
124.11243	4.3
125.09585	2.6
163.14769	15.2
173.13278	4.0
180.17482	26.3
181.15900	7.6
198.18501	2.5
226.18024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.227
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
57.07073	9.5
58.06601	2.0
64.27162	0.9
69.07052	1.0
70.06577	1.2
71.08640	1.1
81.07068	1.0
82.90997	1.0
83.08607	1.1
85.10177	1.0
86.06063	16.9
88.58436	0.8
94.50929	0.9
95.08608	0.9
100.07619	22.4
104.07088	1.2
111.34830	0.8
113.00211	0.8
118.08659	1.8
121.10172	0.9
184.20628	3.6
202.10175	0.9
226.21635	100.0
244.06694	1.1
244.22734	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49638	0.3
55.05511	0.3
57.07083	4.4
58.06609	8.4
61.71750	0.3
61.87361	0.3
71.08624	2.0
72.08150	1.7
76.07646	9.1
85.10203	0.5
110.88229	0.4
115.65913	0.4
129.23637	0.4
148.12917	0.3
210.06685	0.4
226.25331	3.6
244.21207	2.0
244.26343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.9
58.06358	0.5
58.06603	9.9
62.06101	3.9
71.08625	2.6
72.08141	2.4
74.37917	0.3
76.07639	9.0
85.10178	0.9
101.60584	0.3
120.46112	0.4
226.25221	3.1
244.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31393	0.2
55.21431	0.3
56.96596	0.3
57.07078	3.7
58.06361	0.4
58.06609	8.5
63.55355	0.3
68.46329	0.3
71.08643	2.3
72.08161	2.4
74.06076	0.4
76.07642	9.3
79.23499	0.3
85.10177	0.5
131.00101	0.4
149.01236	0.4
158.98552	0.4
167.12521	0.3
167.13933	0.3
197.84299	0.3
226.25294	3.3
237.62582	0.4
244.21408	2.7
244.26335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06875	0.2
57.07086	4.1
58.06606	9.8
60.06311	0.2
67.30487	0.3
68.39474	0.3
71.08636	2.5
72.08154	2.3
73.29997	0.3
76.07640	9.3
82.20282	0.3
83.20620	0.2
85.10171	0.7
87.04453	0.4
106.44745	0.3
107.19559	0.3
120.96477	0.5
152.59981	0.3
179.97884	0.4
185.25778	0.3
202.21687	1.8
226.25345	3.4
244.26337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07180	1.6
73.80107	1.5
84.34788	1.7
99.04465	2.8
101.00879	3.8
119.01914	22.6
127.03919	17.2
131.01883	2.3
134.75537	1.7
137.02934	2.3
143.01878	16.6
145.03442	3.6
147.01465	2.2
148.82085	1.8
151.19153	2.1
155.01942	3.4
157.03497	21.5
159.04991	2.3
161.02951	35.5
162.03059	2.2
167.01822	2.5
169.03453	4.2
171.05054	2.5
173.02946	9.5
175.04523	10.4
179.03946	2.3
185.02966	96.3
187.04535	11.2
191.04016	3.2
191.66727	2.0
199.04463	13.0
203.02618	2.2
203.04012	58.6
204.04416	2.3
207.78995	2.1
209.02840	2.8
215.04045	14.7
221.01064	2.5
221.05038	12.2
222.00873	22.6
227.03986	44.0
233.05048	4.3
239.12364	2.2
240.01840	2.1
245.05057	100.0
245.08966	3.4
263.02890	17.5
263.06082	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
57.60550	0.6
57.81675	0.6
64.66776	0.7
76.61602	0.7
78.36192	0.6
128.06236	4.3
131.04918	1.2
133.92406	0.8
143.04961	1.2
144.05701	1.7
145.06540	1.6
146.07291	1.9
146.45045	0.8
156.05667	4.1
157.06441	1.6
158.07275	1.2
159.04402	3.8
159.08104	0.9
171.04422	4.9
172.05180	1.2
173.06021	1.0
174.06758	13.0
174.85776	0.8
176.09053	0.8
184.05215	7.6
186.06779	4.7
187.03874	4.9
189.08989	2.7
201.05455	6.0
202.06245	72.6
212.04662	4.2
216.04156	5.8
229.04913	1.5
229.08640	0.9
230.05762	8.0
234.05223	23.8
245.08076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1169
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.13162	2.3
54.67202	3.0
55.01862	3.0
55.05496	3.5
55.38068	3.1
55.63482	2.7
56.21738	3.1
63.43988	2.4
64.32156	2.8
65.46163	2.7
67.05490	4.7
69.03428	15.8
79.05521	10.3
79.45276	2.6
81.07051	13.7
83.04973	13.5
91.05465	6.3
93.07045	5.9
95.08587	3.7
97.02906	6.4
100.35748	2.9
107.08589	12.7
109.02891	4.4
110.55544	3.4
117.06997	5.7
119.08578	18.7
121.06484	6.7
121.10132	6.1
123.04490	3.7
128.06213	6.6
129.07068	5.0
131.08565	12.5
135.08044	25.6
135.11707	4.0
137.05995	3.4
142.07787	5.5
143.08563	22.9
145.06413	3.2
145.10143	6.5
147.08066	13.4
147.11678	6.1
149.09630	4.2
150.23074	3.0
153.07072	5.2
155.08580	3.9
156.09348	21.5
157.06540	11.5
157.10112	28.8
158.07362	4.6
159.08052	14.9
159.11699	7.4
161.09511	3.5
166.07809	3.6
168.09390	5.3
171.06790	3.4
171.08092	12.1
171.11661	24.2
173.09587	5.9
175.07533	6.4
181.10173	12.7
183.11591	4.2
184.08832	19.3
185.09644	44.4
185.13251	3.6
186.10420	5.1
187.11234	4.0
199.11165	73.0
203.10608	24.1
209.09605	7.3
212.08330	18.3
217.08699	5.6
217.12251	5.6
227.10718	33.7
245.08148	12.8
245.11681	100.0
245.13736	5.5
245.15607	4.1
245.18951	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58980	3.5
52.94583	3.6
53.89933	4.1
55.05516	41.2
57.03438	24.5
57.07099	4.6
67.05495	21.2
68.22551	4.0
69.07072	9.3
75.52068	4.4
79.05489	10.6
81.07066	21.8
83.04966	5.0
83.08611	34.5
89.87109	4.9
93.07040	6.6
95.08604	5.7
97.10166	100.0
98.08411	3.7
105.07027	4.4
107.08548	32.9
108.82225	4.6
117.07113	4.0
121.10087	6.1
125.09627	95.6
133.10124	7.4
145.10117	4.8
147.11690	10.5
161.13318	6.5
171.10175	5.6
178.59520	5.0
189.11235	62.7
213.50954	5.6
236.76274	4.7
245.11449	9.2
245.13843	60.5
245.19095	8.9
245.22676	29.6
262.12491	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01866	1.9
55.05518	36.1
57.03451	20.2
66.79582	1.2
67.05508	16.9
69.03430	7.6
69.07076	6.9
73.39277	1.2
79.05505	13.9
81.07075	14.5
83.04984	3.3
83.08624	33.2
89.58844	1.6
91.05467	1.5
93.07047	6.8
95.08602	2.4
97.10169	100.0
105.96986	1.4
107.08594	22.9
109.10165	5.5
111.08013	2.1
119.08611	1.9
121.10173	2.9
125.09634	77.7
125.53214	1.5
133.10139	1.8
135.08054	2.8
153.09175	3.2
161.08189	1.7
161.13234	2.5
163.09767	1.7
171.10146	9.1
175.13045	1.4
189.11214	58.5
207.27760	1.5
245.11411	3.1
245.13763	63.1
245.22581	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	4.5
55.05507	37.1
57.03437	21.4
62.24800	3.9
66.70850	3.5
67.05507	25.2
69.03436	5.4
69.07044	9.8
74.11948	4.3
79.05495	18.5
81.07063	21.7
83.04972	3.7
83.08615	43.9
84.92451	3.7
91.05452	3.6
93.07041	6.1
95.08629	7.2
97.10175	96.4
105.07044	4.7
106.32545	3.8
107.08617	32.1
109.10172	6.2
119.08550	5.5
125.09633	100.0
133.10104	15.3
135.08066	8.7
161.13318	5.4
171.10161	9.8
175.14706	5.2
189.11179	69.0
202.23592	4.4
245.13725	81.2
245.22647	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
69.07069	6.6
72.96073	0.2
86.09708	100.0
90.89793	0.2
110.73096	0.2
121.06472	0.2
132.10210	2.2
189.28485	0.2
199.17995	0.6
208.26941	0.2
245.13454	0.8
245.18600	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26930	0.3
59.94003	0.3
69.02824	0.3
69.03432	0.6
69.12537	0.3
81.03424	0.4
83.04996	0.6
85.02916	0.4
86.09707	100.0
91.05489	0.5
97.02892	0.5
99.04472	0.4
108.23795	0.3
110.09734	0.3
121.06514	0.5
121.10139	0.4
132.10219	3.5
137.05986	1.6
138.09215	0.4
199.18040	0.7
215.58849	0.4
237.08762	0.3
245.06079	0.5
245.09474	0.4
245.12798	2.2
245.18608	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
55.05517	54.1
57.03441	3.2
57.07085	40.5
66.15124	2.6
67.05522	16.6
68.40872	3.2
69.03411	4.0
69.07077	70.3
71.08640	37.5
79.05503	17.4
81.07060	36.9
83.04990	5.2
83.08639	62.5
85.10210	5.7
86.06046	12.7
90.45163	3.8
91.05441	14.3
93.07047	22.2
95.08601	34.3
95.50512	3.6
97.10178	91.4
100.07607	6.1
100.76710	3.3
105.07043	15.3
107.08584	23.8
108.04454	4.0
108.51816	3.3
109.02928	3.4
109.10168	13.4
111.11692	16.4
119.08570	24.7
121.10114	17.7
125.09636	18.1
129.06999	4.1
131.08598	8.5
133.10158	18.4
135.08078	4.1
140.10173	3.4
143.08562	8.9
145.10133	8.9
147.08025	3.8
147.11711	7.5
157.10168	8.8
159.11714	19.1
163.14807	5.2
167.35457	3.6
171.11623	7.3
183.11696	3.4
185.13284	5.8
187.14818	8.7
189.11243	7.9
199.14726	5.6
227.17998	13.4
228.15950	21.1
245.15358	19.2
245.18828	90.6
245.22748	4.3
246.16992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26930	0.3
59.94003	0.3
69.02824	0.3
69.03432	0.6
69.12537	0.3
81.03424	0.4
83.04996	0.6
85.02916	0.4
86.09707	100.0
91.05489	0.5
97.02892	0.5
99.04472	0.4
108.23795	0.3
110.09734	0.3
121.06514	0.5
121.10139	0.4
132.10219	3.5
137.05986	1.6
138.09215	0.4
199.18040	0.7
215.58849	0.4
237.08762	0.3
245.06079	0.5
245.09474	0.4
245.12798	2.2
245.18608	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71162	1.6
55.05518	3.5
57.07097	6.5
61.12325	1.5
67.05516	14.2
67.05834	2.0
69.07058	10.5
71.08633	2.3
73.20823	1.7
79.05490	13.2
81.07049	23.5
83.08615	3.1
86.79947	1.8
91.05003	1.8
91.05485	19.4
93.07049	20.2
95.08614	23.7
97.10163	2.7
105.07034	19.3
107.08572	13.2
109.10155	9.1
116.42349	2.0
119.08582	27.2
121.10155	19.3
122.18585	1.9
123.11717	4.8
125.77750	1.9
131.08498	1.9
133.10127	44.5
135.11642	4.6
146.43050	1.9
147.11678	25.9
149.13260	7.9
159.31999	2.1
161.13266	27.6
163.14822	10.3
175.14818	16.2
177.16357	2.2
189.16321	8.0
236.34430	1.9
245.22627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03706	2.8
53.03959	81.9
55.01886	22.9
65.68464	1.2
69.03427	6.7
71.04993	5.3
81.03432	34.1
85.39352	1.4
97.02898	34.4
99.04446	14.0
109.02883	100.0
115.03922	1.8
116.67802	1.3
127.03907	46.6
145.04903	1.8
232.89871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0759
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
59.32355	0.5
84.08146	0.9
87.04453	1.2
98.19341	0.7
109.81623	0.7
121.06535	4.9
126.05482	2.0
136.03912	1.4
144.76036	0.6
149.20708	0.6
156.64761	0.6
160.03970	1.4
186.05492	3.3
200.07056	12.0
218.08173	0.8
228.06541	100.0
246.07573	62.9
246.11156	4.4
246.65649	0.6
252.48886	0.6
260.49078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82131	1.6
54.04646	1.6
54.17959	1.8
55.01885	21.5
57.05808	2.0
61.72550	1.7
69.97656	1.8
73.02922	100.0
78.86612	2.0
84.04692	1.8
105.06995	2.3
137.28899	2.1
141.05138	8.9
149.06023	14.0
150.06766	9.9
151.07523	8.5
155.70949	2.1
163.07513	3.0
164.08336	13.5
165.09131	26.2
167.57520	2.5
168.90266	2.1
191.07054	2.2
192.10110	2.3
197.02686	2.9
201.57300	4.8
205.57388	3.2
207.57219	3.7
208.09680	4.1
214.57938	18.5
220.04097	4.0
222.05971	2.7
223.09344	60.8
236.83145	2.0
238.05334	33.3
239.06131	15.2
261.70590	2.1
264.07126	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1123
Annotation	Pyrrolezanthine
Peak:m/z	Relative Intensity
57.69802	0.4
68.39945	0.5
70.48914	0.5
80.05023	7.3
91.05488	2.9
93.07028	6.2
94.06574	3.7
95.04990	0.7
103.05473	2.7
105.07050	1.1
107.04959	5.0
108.04469	2.2
121.06503	100.0
126.63298	0.5
133.06499	9.3
147.04417	0.8
182.09557	0.6
183.08075	0.7
185.08391	1.3
188.10670	6.2
198.09184	2.2
200.10710	31.0
205.24458	0.7
210.09117	0.6
218.11702	2.3
228.10176	61.2
246.11203	3.7
256.49792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.9
70.06597	100.0
70.68198	0.6
71.04993	1.6
71.86834	0.6
80.79066	0.6
81.04871	0.6
84.08122	0.6
87.04480	1.2
99.04455	4.5
99.91592	0.6
107.04042	0.7
112.07590	0.8
117.05495	17.4
130.08644	87.0
136.08679	0.6
136.84157	0.6
137.89330	0.6
162.95331	0.9
175.12155	0.7
182.08029	0.7
190.49953	0.9
228.12285	0.8
246.13371	31.1
252.97833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15609	0.7
54.19548	0.7
54.85598	0.8
55.05512	4.1
56.10330	0.8
62.20597	0.7
69.03409	0.9
70.06595	99.1
71.04987	1.3
76.68345	0.9
81.00557	0.8
82.77964	0.8
84.08140	1.5
86.06062	1.0
86.09707	3.7
87.04461	1.5
99.04446	3.5
117.05488	17.8
120.10652	1.0
121.06470	1.9
128.07060	5.2
130.08641	100.0
163.60593	0.8
182.08105	1.4
197.79762	0.9
199.04791	1.0
200.09280	1.7
200.12788	1.2
203.17714	1.0
228.12154	1.5
246.09628	1.2
246.13353	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.4
64.87140	0.3
78.78605	0.3
83.08623	0.8
90.08653	0.3
137.05954	1.2
149.05930	0.6
161.05986	1.3
162.05469	0.8
164.07056	25.7
175.07553	1.4
176.07097	0.6
177.07840	15.7
178.08604	1.9
190.08734	0.4
193.22150	0.4
198.39745	0.4
218.11726	0.4
244.13315	5.0
246.14873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13700	0.2
54.26339	0.2
55.05519	7.6
55.59532	0.2
57.15527	0.2
58.31472	0.2
59.97058	0.2
61.22586	0.2
63.58012	0.2
76.78824	0.2
79.76933	0.2
83.08611	1.2
88.52142	0.2
110.09613	0.3
123.04372	0.3
134.47536	0.2
137.05960	1.4
149.04790	0.3
149.05983	1.0
153.08936	0.2
156.28737	0.2
161.05952	1.2
162.05505	0.4
163.06238	0.4
164.07050	26.8
171.08032	0.2
175.07599	1.5
176.07047	0.8
177.07835	16.6
178.08566	0.9
217.12250	1.0
218.11848	0.3
227.59058	0.3
244.13301	5.5
246.14873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94577	0.2
58.06606	3.6
58.81885	0.2
60.16770	0.2
69.66689	0.2
91.05476	15.1
94.14096	0.2
94.42262	0.2
100.11256	100.0
101.94488	0.2
218.13326	0.4
218.15395	10.7
246.14928	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1486
Annotation	Tropacocaine
Peak:m/z	Relative Intensity
55.05517	8.4
64.87140	0.3
78.78605	0.3
83.08623	0.8
90.08653	0.3
137.05954	1.2
149.05930	0.6
161.05986	1.3
162.05469	0.8
164.07056	25.7
175.07553	1.4
176.07097	0.6
177.07840	15.7
178.08604	1.9
190.08734	0.4
193.22150	0.4
198.39745	0.4
218.11726	0.4
244.13315	5.0
246.14873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03623	0.3
55.05518	8.6
69.07076	0.4
73.86060	0.3
83.08614	1.8
86.52786	0.3
104.58295	0.3
128.64754	0.3
137.05974	1.3
149.04846	0.3
149.06001	1.6
153.95360	0.3
161.05930	1.3
162.05490	0.6
164.07047	27.7
175.07486	1.6
176.07045	0.5
177.07837	15.4
178.08574	1.4
209.50821	0.3
217.12291	1.7
240.53482	0.4
244.13306	5.6
246.14868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1487
Annotation	Tropacocaine
Peak:m/z	Relative Intensity
56.65865	0.3
58.06588	0.4
58.19541	0.3
69.89300	0.3
84.08131	0.3
92.51553	0.3
101.46159	0.3
117.05408	0.3
124.39109	0.3
147.56474	0.3
158.09586	0.4
182.18048	0.3
186.09071	0.4
187.09933	3.5
202.12260	8.5
203.13020	0.4
218.15315	1.7
228.06538	2.3
231.12515	17.5
246.07671	1.7
246.14877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1811
Annotation	Valyllysine
Peak:m/z	Relative Intensity
55.73569	2.6
58.06598	11.6
60.08176	3.0
84.08136	5.5
100.07619	86.9
111.75024	2.8
117.10281	26.2
118.08633	6.6
126.05280	15.5
143.03149	16.0
152.07169	3.2
246.09401	20.6
246.18117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22363	0.3
57.07077	3.8
64.05061	0.5
70.06585	6.3
71.08623	0.8
79.87889	0.5
83.66888	0.4
85.10192	1.8
88.07630	14.5
93.81437	0.5
102.09183	4.2
106.08669	11.2
121.08916	0.4
202.21628	0.8
206.16650	0.5
222.25410	0.5
228.23215	8.8
243.27144	0.5
246.24265	100.0
256.98819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.3
59.51932	0.4
61.09369	0.4
62.06092	0.4
63.51525	0.4
64.74953	0.4
66.14002	0.4
70.06609	4.4
70.06932	0.4
71.08613	1.0
74.56828	0.4
85.10201	0.8
88.07632	13.8
92.20935	0.9
97.79547	0.4
102.09178	3.0
106.08675	8.6
169.53777	0.4
194.11029	0.5
202.21741	0.9
212.42345	0.5
222.53903	0.4
228.23232	8.3
246.24266	100.0
259.43124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	3.6
57.07308	0.4
70.06591	6.5
71.08640	0.7
81.69403	0.4
85.10164	0.5
88.07634	13.5
102.09168	2.8
106.08665	8.9
114.06194	0.4
116.87309	0.4
228.23210	8.9
246.24269	100.0
267.41769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.6
61.47530	0.5
70.06597	6.1
71.08630	0.7
86.98877	0.6
88.07633	12.6
102.09180	4.6
106.08669	8.5
116.02979	0.5
130.29726	0.5
228.23198	8.7
246.24268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18221	0.4
57.07075	3.1
67.26944	0.4
70.06597	6.4
71.08623	0.6
88.07123	0.7
88.07639	15.2
99.08080	0.5
102.09179	4.5
104.59707	0.5
106.08680	9.6
120.88799	0.5
148.39630	0.5
202.21609	0.8
228.23241	7.7
246.24275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1175
Annotation	(+)-Musacine A
Peak:m/z	Relative Intensity
55.05517	8.1
57.03433	23.5
61.02929	8.1
62.82895	3.7
63.44563	3.7
67.05495	4.8
69.03436	100.0
69.07066	10.7
71.01383	13.8
71.04997	8.5
73.02914	8.5
73.06556	16.3
79.19680	3.7
81.03429	20.1
81.07063	22.2
83.04985	38.3
85.02914	64.3
85.06528	23.9
93.07040	11.1
95.04973	34.5
95.08616	6.7
97.02885	21.2
97.06538	45.5
99.04471	5.7
101.00248	4.1
103.03896	5.0
103.58067	4.2
107.08552	4.1
109.02885	7.4
109.06520	33.5
109.33551	3.8
109.47585	4.5
110.59380	4.8
111.04443	17.8
111.08039	9.8
113.06007	26.3
115.07581	63.4
117.07011	5.2
119.08570	4.9
121.06535	18.1
123.04383	19.7
123.08073	7.2
127.03918	31.3
127.07578	23.4
129.05478	21.3
135.08057	10.8
139.07545	21.4
145.05022	9.5
147.07988	5.4
149.62909	5.0
151.07565	20.5
157.08603	21.7
163.07564	8.7
174.02762	4.6
181.08571	19.0
190.80835	5.2
193.08679	6.2
199.09616	7.2
211.09622	8.9
223.33305	5.2
225.16521	4.9
229.10754	44.7
247.11693	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1172
Annotation	(+)-Musacine A
Peak:m/z	Relative Intensity
53.44293	4.4
55.01889	8.5
57.03441	9.1
58.26365	4.5
61.02932	8.2
65.54421	4.0
67.05513	8.6
69.03429	100.0
69.07047	12.2
71.01360	9.8
71.04973	11.0
73.02913	6.5
78.38294	4.4
81.03409	55.4
81.07040	23.5
83.04978	26.7
84.17490	5.0
85.02904	46.3
85.06535	8.2
89.72695	5.5
91.03983	6.0
91.05468	9.2
93.07029	10.6
95.04977	48.5
95.05476	6.2
95.08626	8.6
97.02885	9.9
97.06546	47.0
99.04493	6.3
105.07063	8.4
107.28859	4.9
109.02872	6.9
109.06521	32.6
111.04436	11.6
113.06001	31.9
115.07561	49.6
121.06483	9.9
123.52975	5.3
127.03912	24.5
127.07552	10.0
129.05482	7.4
129.40602	4.8
133.06519	6.1
135.08049	10.9
139.07523	20.8
147.08067	6.8
151.07556	11.2
153.95996	7.3
155.07010	6.5
157.08588	23.5
162.94565	5.9
163.07571	11.8
163.34824	6.6
164.07109	6.4
181.08553	30.5
184.88124	5.7
193.34206	5.1
211.09686	9.7
217.08623	8.3
229.10765	43.5
247.11841	21.6
247.15216	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73549	4.1
55.01881	4.7
55.05510	17.7
55.61726	5.0
57.03428	18.8
57.07080	5.3
59.05014	4.7
61.02930	20.2
62.10790	4.2
67.05510	25.3
69.03435	100.0
69.07066	20.7
71.01363	9.3
71.04984	9.8
73.06538	4.9
75.73149	5.0
79.05508	7.6
81.03435	52.5
81.07066	23.8
82.01122	4.9
83.04993	48.4
85.02905	68.9
85.06540	28.5
93.07043	30.6
95.01257	5.5
95.04961	52.7
95.08592	6.9
97.02902	30.5
97.06549	68.1
99.04444	21.5
103.03969	6.9
105.07066	8.4
107.04947	8.2
107.08546	4.7
109.02832	7.3
109.06510	56.7
111.04402	12.0
111.08096	22.9
113.06003	51.4
115.07549	68.9
117.07012	8.8
119.08572	6.1
121.06487	31.4
123.04429	26.1
123.08083	20.8
127.03910	23.8
127.07570	28.2
129.05490	6.6
129.32498	4.9
133.06476	10.0
135.08040	23.6
137.05986	5.7
139.07544	35.9
140.06944	4.8
141.05495	8.4
141.09167	4.8
147.08041	8.8
151.07578	25.0
153.09137	7.7
157.08614	28.6
163.07512	23.1
169.08664	11.3
181.08572	42.3
183.10291	5.3
184.62775	4.7
190.65578	5.0
193.08582	8.6
199.09579	12.2
202.07773	12.4
203.08476	8.2
211.09721	20.7
219.08047	21.6
221.29094	5.7
229.10706	49.6
229.12994	9.0
247.07533	88.7
247.11600	35.1
261.22510	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14008	5.4
55.01887	8.4
55.05513	10.2
57.03436	28.7
61.02939	7.4
67.05510	10.4
69.03431	100.0
69.07059	7.7
69.83252	6.5
71.01339	8.0
71.04989	11.2
73.06551	15.0
74.02447	7.3
79.05491	9.9
81.03410	42.1
81.07040	36.2
81.08633	6.1
83.04984	29.6
85.02905	63.7
85.06533	28.6
86.09713	48.6
89.32996	6.0
93.07027	15.2
95.01286	6.1
95.04968	45.4
95.08623	7.9
97.02898	42.6
97.06522	56.2
99.04440	24.9
100.67049	6.1
105.01488	5.6
105.07014	8.5
109.06538	55.3
111.04475	10.4
111.08086	14.0
113.06007	13.8
115.07550	78.3
121.06434	8.8
123.04439	32.2
123.08085	10.1
127.03892	36.0
127.07533	27.4
129.05473	25.2
131.01563	6.6
132.10298	6.2
137.06039	6.5
139.07506	13.2
141.09087	11.3
141.10268	6.5
145.06416	7.2
147.07977	9.6
148.95557	6.9
151.07547	12.7
153.21075	7.3
157.08607	33.4
163.07541	14.4
173.05927	33.0
173.14220	7.0
176.43896	6.4
181.08585	37.2
199.09709	11.1
201.12299	10.6
202.60332	6.2
211.09715	10.4
229.10730	40.7
247.07182	20.9
247.11609	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73549	4.1
55.01881	4.7
55.05510	17.7
55.61726	5.0
57.03428	18.8
57.07080	5.3
59.05014	4.7
61.02930	20.2
62.10790	4.2
67.05510	25.3
69.03435	100.0
69.07066	20.7
71.01363	9.3
71.04984	9.8
73.06538	4.9
75.73149	5.0
79.05508	7.6
81.03435	52.5
81.07066	23.8
82.01122	4.9
83.04993	48.4
85.02905	68.9
85.06540	28.5
93.07043	30.6
95.01257	5.5
95.04961	52.7
95.08592	6.9
97.02902	30.5
97.06549	68.1
99.04444	21.5
103.03969	6.9
105.07066	8.4
107.04947	8.2
107.08546	4.7
109.02832	7.3
109.06510	56.7
111.04402	12.0
111.08096	22.9
113.06003	51.4
115.07549	68.9
117.07012	8.8
119.08572	6.1
121.06487	31.4
123.04429	26.1
123.08083	20.8
127.03910	23.8
127.07570	28.2
129.05490	6.6
129.32498	4.9
133.06476	10.0
135.08040	23.6
137.05986	5.7
139.07544	35.9
140.06944	4.8
141.05495	8.4
141.09167	4.8
147.08041	8.8
151.07578	25.0
153.09137	7.7
157.08614	28.6
163.07512	23.1
169.08664	11.3
181.08572	42.3
183.10291	5.3
184.62775	4.7
190.65578	5.0
193.08582	8.6
199.09579	12.2
202.07773	12.4
203.08476	8.2
211.09721	20.7
219.08047	21.6
221.29094	5.7
229.10706	49.6
229.12994	9.0
247.07533	88.7
247.11600	35.1
261.22510	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88438	0.6
54.22021	0.6
55.05518	4.8
56.05051	1.0
56.18374	0.7
56.84547	0.7
57.03427	0.6
57.89914	0.8
66.73363	0.6
69.03422	0.9
70.06614	0.6
72.08158	100.0
81.03391	1.2
84.04510	61.4
84.08150	1.2
97.02943	0.7
98.98457	4.8
101.05993	1.7
102.05544	3.0
118.08654	50.1
130.05006	17.0
144.10197	0.9
145.06476	1.6
156.10182	6.0
161.63718	0.8
173.05954	8.0
184.09686	25.0
201.05452	3.3
205.04991	1.1
230.10197	12.6
230.13707	0.8
247.12987	14.8
247.20200	1.6
265.82611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1286
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
50.68410	0.6
55.05513	4.6
56.05040	1.5
62.48156	0.7
69.03428	1.2
70.01440	0.7
70.06564	0.8
70.55299	0.7
71.34293	0.9
72.08158	100.0
84.04509	60.7
84.08141	1.1
85.02905	0.8
86.09737	0.7
88.07675	0.8
90.41193	0.9
98.98470	3.6
102.05560	3.1
118.08651	49.5
118.09496	1.6
119.71329	0.7
130.05002	15.5
138.09169	0.8
144.10210	1.3
145.06474	3.9
147.64664	0.8
156.10178	6.7
173.05981	10.4
184.09686	25.8
184.11253	1.5
201.05519	1.9
217.73830	0.9
230.10211	12.5
247.10715	3.4
247.12888	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Fischeric acid
Peak:m/z	Relative Intensity
55.21344	3.5
60.24163	3.2
62.91299	3.3
66.58608	3.0
69.03429	13.6
70.21260	3.1
80.52272	2.9
83.04997	8.1
91.05517	5.0
93.07050	6.2
95.04993	4.2
97.02869	5.6
105.07080	6.1
107.08625	7.6
109.02911	13.9
109.06548	8.3
110.00299	3.7
111.04488	4.8
121.06548	6.8
121.10250	4.1
131.08643	16.7
133.10126	5.3
135.08070	25.3
137.06073	3.7
144.32782	3.9
145.10214	5.6
149.09676	22.2
159.08095	15.8
159.11674	30.6
161.09685	5.1
163.07573	21.8
172.08829	7.8
173.09579	28.3
173.13242	35.4
186.10452	21.7
187.07542	8.1
187.11163	100.0
191.07048	30.9
196.08862	6.0
201.12743	52.8
211.11189	8.7
219.10300	3.9
229.12299	52.3
247.07504	5.6
247.09677	6.8
247.10794	4.6
247.13274	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
55.05502	1.6
56.34142	0.7
67.05468	0.9
69.03429	0.9
69.07072	6.6
79.05487	1.5
81.07066	5.6
83.04981	4.3
83.08614	3.9
91.05489	1.0
93.07040	4.9
95.04961	5.9
95.08604	4.5
98.98492	1.3
105.07043	3.2
107.08592	4.6
109.06540	3.6
109.10155	5.0
111.04441	3.7
111.08026	0.8
119.08538	4.9
121.06510	1.8
121.10141	6.2
123.08054	1.7
131.08594	4.2
133.10133	4.3
135.08041	3.3
135.11671	5.6
137.09602	3.8
139.34659	0.9
145.10109	7.0
147.08014	1.2
147.11694	1.6
149.09660	5.6
159.08060	4.6
159.11714	3.6
161.13298	6.4
163.11195	3.7
165.12752	1.3
171.11687	1.9
173.09630	3.5
177.09082	11.8
177.16399	1.4
187.14886	5.6
191.10623	3.4
201.16412	1.6
203.14395	1.6
205.15820	5.9
229.16045	0.9
247.16927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05506	9.3
55.95993	1.7
57.03442	1.6
67.05508	16.1
69.03424	2.3
69.07046	10.8
79.05496	16.6
81.07071	20.8
83.04971	3.3
83.08624	3.4
84.01917	1.6
91.05486	26.9
93.07022	14.1
95.04954	4.2
95.08582	12.7
97.06534	2.7
103.05439	2.3
105.07041	45.1
107.04932	7.3
107.08623	9.4
109.06512	3.4
109.10150	13.3
111.08087	2.1
117.07024	17.5
119.08577	43.8
121.02843	2.9
121.06511	8.6
121.10143	4.2
122.06763	2.5
129.06998	3.6
131.08572	26.3
133.06491	3.1
133.10127	39.1
135.08038	7.3
135.11703	2.7
143.08525	11.9
145.10123	37.2
147.08058	3.3
147.11641	19.4
149.09601	2.6
155.08688	2.6
157.10144	8.8
159.11685	12.9
161.09608	3.7
161.13229	2.2
163.11186	2.7
169.10080	7.3
173.09673	3.3
173.13260	9.3
175.11195	3.7
175.91937	2.2
181.63782	2.1
183.11649	3.5
185.13222	7.4
187.11140	3.5
187.14813	10.5
190.35059	1.9
201.12743	7.7
201.16360	10.1
211.14780	10.6
229.15984	12.9
238.93610	1.9
247.13329	9.3
247.16917	100.0
247.20631	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.15191	0.3
55.05516	0.5
56.31435	0.3
56.98408	0.3
57.07090	3.5
59.45021	0.4
67.05496	1.8
68.17324	0.4
69.07066	0.6
79.05492	1.7
81.07071	3.1
84.80000	0.4
91.05462	0.7
93.07043	0.7
95.04989	0.7
105.07049	1.6
107.08559	1.2
117.07015	0.7
119.08597	0.5
121.10186	0.8
131.00212	0.4
131.08588	1.8
133.10159	0.6
144.08063	0.4
145.10124	2.1
149.09602	1.8
159.11707	0.5
162.10338	0.6
163.11220	0.6
175.11105	0.6
179.14336	1.5
200.31956	0.4
229.19495	0.5
247.20566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2417
Annotation	Estrane
Peak:m/z	Relative Intensity
55.05509	3.9
57.07069	4.8
67.05189	2.2
67.05493	20.4
69.07057	10.8
71.08616	3.0
79.05507	22.8
81.06690	1.9
81.07063	38.2
83.08616	10.5
93.07044	46.9
95.08611	40.5
97.10161	5.0
107.08601	37.4
109.10163	22.6
121.09297	3.5
121.10142	57.9
123.11686	4.6
134.59360	2.0
134.92654	1.9
135.11678	56.4
137.13229	3.3
149.13255	30.9
163.14832	13.7
165.16429	4.2
177.16389	4.2
191.17920	4.8
210.00397	1.9
237.33447	2.3
247.24173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2419
Annotation	Estrane
Peak:m/z	Relative Intensity
51.75801	1.9
55.05520	5.4
57.07085	4.1
58.75845	2.0
61.25449	1.7
67.05512	40.8
69.07062	12.4
69.69456	2.0
79.05499	41.5
81.07063	43.1
83.08628	12.8
91.05485	9.9
93.07049	60.6
93.98485	1.9
95.08602	40.5
96.67759	2.3
97.10164	3.5
105.07014	5.0
107.08591	51.1
107.23897	2.0
109.10138	19.7
114.03002	2.1
118.50709	2.4
119.08562	10.7
121.10149	100.0
123.11705	3.8
126.12175	2.3
133.10101	4.1
135.11688	69.8
145.00485	2.3
145.10106	3.4
149.13242	29.5
151.14679	2.7
163.14804	11.8
165.16457	5.4
173.13203	2.9
177.16435	8.8
191.17909	4.3
201.16388	3.1
229.19487	3.4
234.25621	2.2
247.16994	11.2
247.20488	10.8
247.24191	94.7
249.29245	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95390	1.5
53.48635	1.4
55.05507	4.8
57.07083	3.4
67.05507	25.4
69.07068	15.3
71.08640	3.4
79.05492	19.8
81.07058	36.6
83.08608	13.2
91.05459	2.3
93.07049	51.3
95.08611	43.7
97.10156	4.2
107.08604	34.6
108.01730	1.9
109.10148	21.1
111.11703	2.3
121.09300	3.2
121.10146	69.7
123.11678	7.3
135.11693	63.2
142.17393	2.0
149.13260	36.9
151.14888	4.0
163.14821	17.3
165.16431	3.6
176.78389	2.0
177.16394	8.3
191.17932	8.1
205.19295	2.7
247.24190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54500	2.5
55.05511	5.7
57.07087	3.3
57.39222	2.4
58.79836	2.2
66.12628	2.3
67.05506	27.9
69.07067	10.3
79.05489	35.6
81.07059	41.1
81.34148	2.4
83.08622	11.4
91.05456	2.9
93.07038	42.0
95.08614	43.2
97.10144	4.1
107.08588	37.2
109.10165	18.4
115.99954	2.4
121.10147	93.8
123.11694	6.8
135.11694	60.9
137.13257	3.4
149.13319	23.2
163.14854	12.5
177.16313	4.0
191.67654	2.9
227.20528	2.9
247.24174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2418
Annotation	Estrane
Peak:m/z	Relative Intensity
54.54500	2.5
55.05511	5.7
57.07087	3.3
57.39222	2.4
58.79836	2.2
66.12628	2.3
67.05506	27.9
69.07067	10.3
79.05489	35.6
81.07059	41.1
81.34148	2.4
83.08622	11.4
91.05456	2.9
93.07038	42.0
95.08614	43.2
97.10144	4.1
107.08588	37.2
109.10165	18.4
115.99954	2.4
121.10147	93.8
123.11694	6.8
135.11694	60.9
137.13257	3.4
149.13319	23.2
163.14854	12.5
177.16313	4.0
191.67654	2.9
227.20528	2.9
247.24174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0916
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.87986	0.2
58.06592	0.3
64.04068	0.2
69.03427	0.4
70.06576	1.0
73.94667	0.3
81.03426	0.2
84.04517	0.3
85.02899	0.6
86.06073	2.5
86.09683	0.4
87.04480	3.0
96.04427	0.3
97.02898	1.9
98.06056	3.3
98.09671	1.0
104.07131	0.3
109.02866	0.4
112.07638	0.3
116.07079	1.4
128.07066	1.1
132.06528	0.3
140.95056	0.3
144.10129	0.3
149.45871	0.3
164.55910	0.3
174.09052	0.9
175.09470	3.1
182.08101	1.9
183.55505	0.3
184.04463	0.5
185.07863	0.3
194.08083	1.3
202.08601	4.2
203.09421	3.3
212.09134	1.1
227.91486	0.3
230.10306	2.6
230.13829	2.8
231.08350	0.4
248.09142	100.0
248.11258	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1127
Annotation	Linamarin
Peak:m/z	Relative Intensity
50.23380	1.1
57.03442	1.2
69.03419	8.2
70.06579	7.4
71.04952	1.2
81.03435	1.5
85.02895	6.2
86.06067	23.7
87.04471	42.3
96.04512	2.4
97.02889	24.8
98.06057	62.8
99.04458	1.6
104.07080	5.8
109.02885	2.5
110.06034	1.7
111.04427	1.4
112.07610	1.3
116.07087	16.4
126.05508	2.4
127.03889	2.5
127.30848	1.2
128.07066	14.4
144.06535	2.2
146.08101	2.2
161.84525	1.4
164.07060	6.8
170.08064	1.5
182.08092	19.5
194.08014	9.8
212.09161	8.1
230.10216	35.0
240.51030	1.3
248.11273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.149
Annotation	3-hydroxybutyryl-L-carnitine
Peak:m/z	Relative Intensity
55.01865	0.7
57.03419	1.0
59.14413	0.9
69.03423	3.4
69.07076	1.0
70.06580	3.3
70.13139	0.7
71.04983	0.8
71.86352	1.0
72.08145	1.8
81.03439	1.2
81.04543	1.8
84.04512	2.0
84.08151	1.6
85.02909	1.9
86.06066	9.6
86.09718	11.2
87.04464	13.5
88.03992	100.0
96.04475	0.9
97.02885	8.5
98.06045	20.4
98.09687	31.0
99.04433	1.9
103.34869	0.8
104.07037	0.9
109.02880	1.8
112.07613	1.0
115.04048	0.9
116.07097	8.3
116.10728	3.8
116.79327	0.8
118.08753	0.9
124.07628	0.8
128.07098	6.3
130.08635	1.2
136.06183	3.0
144.10196	35.6
160.05438	0.8
166.08632	1.0
170.05191	0.8
182.08092	5.9
184.13321	42.6
194.08170	3.4
202.07201	1.4
202.09637	6.4
202.14363	27.4
204.11371	1.1
212.09195	1.7
230.10364	10.0
230.13841	36.2
232.30772	0.9
248.09187	3.8
248.11241	28.5
248.14914	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20720	1.5
57.03424	1.9
60.04524	2.5
69.03423	7.8
69.07061	2.2
70.06598	9.8
71.04980	3.1
72.04481	1.4
72.08161	12.5
73.02924	2.0
73.08502	2.2
81.03426	2.4
81.04546	2.5
84.04504	11.1
84.07634	1.8
84.08144	53.3
85.02908	6.5
85.04830	1.5
86.06062	25.8
86.09695	6.9
87.03947	2.2
87.04469	48.6
88.03993	76.2
95.06091	1.9
96.04481	2.3
97.02886	20.1
98.06056	75.0
98.09683	22.8
99.04474	7.2
101.06023	3.4
102.09181	24.3
103.03978	2.9
104.07106	10.9
104.28001	1.4
109.02868	2.6
110.06038	2.5
116.07088	22.7
116.10721	2.5
118.08665	3.2
119.09029	2.8
121.06545	2.3
124.07595	2.3
126.05506	8.1
127.03913	3.4
128.07088	16.9
130.08627	49.8
140.07158	2.6
144.06546	6.2
144.10205	28.7
145.04982	2.0
146.08107	5.4
162.07625	2.1
164.07004	3.2
170.08168	2.0
170.11731	22.9
182.08128	17.7
184.13310	37.4
185.10136	3.0
186.22176	1.5
194.08157	7.9
202.09821	8.1
202.12601	2.8
202.14374	44.2
204.11287	2.0
212.09137	2.5
216.08710	2.4
230.10236	29.4
230.13812	25.2
248.09288	6.5
248.11252	100.0
248.14912	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01530	3.1
80.09901	3.2
85.02904	5.0
86.06077	13.6
87.04444	26.5
87.06415	6.3
88.04810	19.9
89.47252	3.1
91.98766	2.9
94.93010	15.3
96.04482	4.3
97.02879	19.5
98.03228	7.8
98.06042	21.3
99.06384	23.7
101.00866	5.3
103.02438	4.4
116.07096	13.7
117.07417	5.9
119.01926	7.7
126.05514	7.6
128.07053	3.7
131.01813	3.2
133.03477	35.0
142.05209	3.5
143.01912	6.4
145.03355	5.0
145.06064	12.6
151.04489	8.1
159.04990	14.9
161.02956	13.2
168.06570	8.0
168.63412	4.1
172.06003	23.9
173.02988	4.9
175.04558	4.9
183.08459	7.6
187.04472	42.5
203.04008	5.4
206.88652	4.8
231.03525	20.3
231.10468	35.5
249.03947	19.0
249.11597	100.0
256.71234	3.5
259.68533	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01530	3.1
80.09901	3.2
85.02904	5.0
86.06077	13.6
87.04444	26.5
87.06415	6.3
88.04810	19.9
89.47252	3.1
91.98766	2.9
94.93010	15.3
96.04482	4.3
97.02879	19.5
98.03228	7.8
98.06042	21.3
99.06384	23.7
101.00866	5.3
103.02438	4.4
116.07096	13.7
117.07417	5.9
119.01926	7.7
126.05514	7.6
128.07053	3.7
131.01813	3.2
133.03477	35.0
142.05209	3.5
143.01912	6.4
145.03355	5.0
145.06064	12.6
151.04489	8.1
159.04990	14.9
161.02956	13.2
168.06570	8.0
168.63412	4.1
172.06003	23.9
173.02988	4.9
175.04558	4.9
183.08459	7.6
187.04472	42.5
203.04008	5.4
206.88652	4.8
231.03525	20.3
231.10468	35.5
249.03947	19.0
249.11597	100.0
256.71234	3.5
259.68533	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75827	8.3
58.66028	8.7
79.62182	9.2
87.04469	11.9
88.04848	10.4
94.93032	56.0
98.06027	10.8
99.06400	15.0
108.39732	8.6
116.07120	13.0
201.57158	8.9
231.10567	18.1
249.03674	93.8
249.11623	100.0
267.51331	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42519	1.6
66.21117	2.2
67.92879	1.9
70.02956	13.1
70.08560	1.8
71.01348	17.3
74.02431	14.7
85.02902	2.9
87.05589	57.0
88.03442	3.3
88.03989	96.6
89.02390	17.2
89.07512	2.0
98.02415	86.6
99.00822	12.9
114.05531	11.5
115.05022	3.4
116.03461	46.6
122.38762	2.1
124.03954	74.3
126.01878	36.1
126.77230	2.1
133.06099	17.2
140.03413	16.0
142.04999	42.1
144.02934	14.0
150.01863	50.1
158.04466	8.7
166.25349	2.1
168.02905	63.1
175.07497	3.7
185.05537	4.3
186.03966	63.5
195.04059	2.4
196.02428	12.0
203.06647	8.6
204.05025	31.9
213.05045	12.3
214.03447	100.0
231.00720	2.9
231.06134	9.7
232.04486	59.3
249.07108	4.3
249.12144	3.7
249.15826	3.0
269.70120	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0716
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
56.42519	1.6
66.21117	2.2
67.92879	1.9
70.02956	13.1
70.08560	1.8
71.01348	17.3
74.02431	14.7
85.02902	2.9
87.05589	57.0
88.03442	3.3
88.03989	96.6
89.02390	17.2
89.07512	2.0
98.02415	86.6
99.00822	12.9
114.05531	11.5
115.05022	3.4
116.03461	46.6
122.38762	2.1
124.03954	74.3
126.01878	36.1
126.77230	2.1
133.06099	17.2
140.03413	16.0
142.04999	42.1
144.02934	14.0
150.01863	50.1
158.04466	8.7
166.25349	2.1
168.02905	63.1
175.07497	3.7
185.05537	4.3
186.03966	63.5
195.04059	2.4
196.02428	12.0
203.06647	8.6
204.05025	31.9
213.05045	12.3
214.03447	100.0
231.00720	2.9
231.06134	9.7
232.04486	59.3
249.07108	4.3
249.12144	3.7
249.15826	3.0
269.70120	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.1
60.04552	1.8
69.03434	2.2
70.06591	2.0
71.04972	1.0
71.06911	1.1
73.02896	1.2
74.06051	1.3
74.54684	1.0
75.55168	1.1
75.74962	1.1
78.24049	1.1
84.04504	8.4
85.02911	2.0
86.02410	1.4
87.04478	1.5
87.05566	2.3
88.04002	2.0
97.02921	2.5
97.70652	1.2
98.06069	1.9
99.04467	2.5
99.05577	4.4
99.06337	1.1
100.03983	1.6
101.07169	1.2
116.07152	3.4
117.06622	7.9
123.91388	1.1
124.07594	1.2
124.54395	1.2
126.05518	53.1
127.03906	2.1
128.03415	12.7
129.52039	1.3
133.06105	1.5
144.06615	1.9
145.04968	1.8
145.06078	56.0
168.03612	4.7
168.06552	46.0
168.07927	2.3
172.06044	100.0
185.09216	9.0
186.07571	10.0
190.07045	12.7
203.10165	2.4
231.09738	12.6
249.08723	2.1
249.10789	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.8
56.05036	3.8
70.06572	4.0
73.02910	3.2
74.06093	3.1
78.78727	3.2
84.04504	15.0
85.02896	4.1
86.02419	4.8
99.05569	3.3
102.09178	35.8
115.78702	3.7
117.06614	4.2
126.05525	48.1
128.03435	16.2
142.08620	5.3
142.66254	3.4
145.06090	57.3
152.05084	3.9
162.06361	4.2
168.06526	42.5
172.06036	100.0
178.08679	4.3
185.09204	8.1
186.07597	13.9
190.07083	19.8
203.16641	5.0
210.96555	3.5
231.09869	14.3
249.10793	40.4
249.14766	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57685	1.3
58.47511	1.4
65.14183	1.3
67.05496	2.2
67.53336	1.3
70.64940	1.3
81.07050	2.9
91.05479	2.4
93.07040	7.2
95.08598	7.1
105.07095	1.7
107.04955	2.6
107.08581	8.3
117.06931	2.4
119.08571	2.8
121.10130	7.4
129.07001	3.0
131.08554	7.7
133.10078	2.6
144.05696	1.8
159.08023	14.1
161.09618	4.0
171.08057	2.7
173.06018	1.9
187.07553	7.2
204.07794	4.1
216.07910	1.9
231.10036	2.1
249.08543	4.0
249.11069	100.0
249.15031	7.8
249.18483	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
54.31518	1.0
57.29983	1.1
60.11137	1.0
63.89604	1.1
69.03437	2.3
73.89622	1.0
75.85534	1.1
81.03429	2.2
85.02892	5.3
87.00840	1.2
89.05132	1.1
91.05477	2.9
95.04935	1.6
95.08584	1.7
105.06990	2.9
107.04953	2.4
117.07051	2.5
119.04933	1.5
121.06498	1.8
128.06186	6.0
128.17667	1.1
129.07013	18.9
131.08572	21.6
133.10168	2.4
135.52995	1.2
136.74754	1.2
141.06972	5.6
143.08525	6.4
144.05707	5.5
145.06473	6.7
147.04395	7.4
151.83640	1.2
153.06995	1.8
156.27988	1.1
157.06454	6.4
158.07202	1.9
159.08043	40.7
161.05975	2.1
161.09624	11.6
169.07553	2.2
170.07231	7.6
171.08012	8.9
172.05180	1.7
173.06009	5.3
174.06810	1.5
175.07523	4.5
187.07565	20.9
189.05487	2.0
189.09103	14.5
190.06267	2.1
190.08519	1.9
193.08563	2.8
198.06868	2.0
199.07520	5.7
203.07004	2.8
204.07863	16.2
204.09819	2.1
205.08589	2.4
216.07773	5.1
218.09352	2.0
219.10112	3.0
221.11699	2.4
231.10130	6.8
249.09280	4.5
249.11194	100.0
249.18480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
52.20546	0.6
59.99391	0.6
69.03413	0.8
72.52995	0.6
77.80951	0.9
85.02862	0.8
91.05470	1.3
91.17380	0.8
107.04917	1.1
109.02919	0.8
117.06989	1.4
126.18420	0.8
127.03809	0.8
128.06203	5.3
129.07010	14.0
131.08583	17.2
133.06525	3.8
141.06958	3.2
142.07776	1.1
143.08618	5.5
144.05656	3.8
145.06487	5.3
146.07242	1.6
153.07010	1.1
156.05759	1.0
157.06459	7.0
159.08047	35.3
161.05975	0.9
161.09601	11.3
169.06389	1.2
169.07637	4.4
170.07278	7.2
171.08018	6.7
172.05170	1.2
173.05984	3.1
174.06714	1.8
175.07535	3.7
187.07521	24.1
188.08362	1.0
189.05473	1.5
189.09109	9.7
190.06219	0.9
191.07040	1.8
193.08626	1.4
199.07600	3.5
203.07080	6.6
204.07832	20.5
205.08598	3.2
206.09428	1.0
216.07779	4.8
218.09381	3.2
219.10182	1.3
221.08070	1.3
221.11769	4.1
227.02266	1.3
231.10117	8.4
249.11198	100.0
262.18268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01860	0.5
55.21402	0.4
55.91618	0.4
59.93289	0.5
60.02571	0.4
62.46884	0.4
67.05481	0.5
68.29340	0.5
88.65953	0.4
91.05475	3.1
96.85191	0.4
97.02882	0.6
103.05515	0.7
105.07006	1.7
106.49382	0.5
107.04938	0.8
112.30329	0.5
115.05454	3.7
116.06231	0.9
117.06996	2.7
128.06218	5.9
129.06998	14.4
130.07793	0.7
131.04930	2.3
131.07658	0.9
131.08565	18.8
132.05711	0.8
133.06496	2.9
133.10132	1.0
141.06979	5.5
142.07747	1.0
143.04901	2.9
143.08582	4.6
144.05699	6.8
145.06494	7.4
146.07240	2.6
147.04411	0.9
153.06987	2.9
155.05962	1.1
156.05693	0.6
157.06468	7.8
158.07271	2.4
159.04437	0.7
159.08049	37.3
160.05168	2.9
160.08731	0.5
161.05978	4.2
161.09601	10.4
167.07040	1.0
169.06367	0.8
169.07620	3.9
170.07263	6.7
171.08028	8.5
172.05139	2.1
173.05966	4.3
174.06743	2.7
175.07544	9.5
178.06236	1.0
185.05984	1.1
186.06712	0.9
187.07530	23.7
188.08337	0.9
189.05466	4.0
189.09081	14.3
190.06291	1.9
191.07051	2.8
193.08562	0.6
198.06757	2.8
199.07506	4.2
201.05550	0.6
203.07037	7.0
204.07829	16.4
205.04994	0.6
205.08594	3.2
206.09358	2.7
216.07803	5.9
217.08635	0.8
218.09436	2.8
219.10132	2.1
221.08051	2.1
221.11655	3.5
231.06526	0.7
231.10168	8.7
234.08841	1.0
249.11203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.12937	1.3
91.05500	2.3
107.04939	2.1
115.05444	3.0
128.06230	2.2
129.06998	14.6
131.08585	22.0
133.06488	2.6
141.07016	5.9
143.08595	2.4
144.05676	3.0
145.06509	2.1
147.04263	1.4
153.07033	1.7
157.06487	8.1
159.08055	35.3
161.09650	10.9
169.07576	1.7
170.07260	3.2
171.08060	5.7
173.05995	5.7
187.05991	2.1
187.07561	29.2
188.08369	1.7
189.09109	9.2
198.06836	2.8
199.07549	2.3
203.06961	5.2
204.07809	14.1
205.08632	2.9
216.07874	5.5
221.11897	1.6
231.10175	7.6
234.08669	1.7
249.11224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
60.16164	0.9
69.07079	1.3
81.03408	5.8
91.05462	2.3
95.04976	1.9
95.08615	1.3
105.07043	2.1
107.04937	2.7
109.10149	1.2
115.05435	1.5
117.07031	2.0
119.08554	1.4
121.06556	2.0
126.16350	1.2
128.06227	2.1
129.07005	12.2
131.08562	19.7
133.06473	1.5
133.10121	1.9
141.06993	4.6
143.08549	2.3
144.05687	4.3
145.06482	6.0
146.07234	2.6
147.04407	1.5
147.08055	1.4
153.07033	1.5
153.15341	1.2
157.06502	6.7
159.08047	30.8
161.06038	1.7
161.09612	10.5
169.07646	1.5
170.07256	5.1
171.08028	7.0
172.05197	1.4
173.05962	4.3
175.07602	2.2
187.07556	19.7
189.05469	1.5
189.09082	11.6
189.12662	1.3
196.70984	1.2
198.06683	2.5
199.07533	4.8
203.07021	2.6
204.07806	12.4
205.08588	4.2
206.07303	1.6
206.09273	2.3
216.07808	5.4
218.09361	1.5
219.10190	2.1
221.11781	1.8
231.10208	9.1
234.06804	1.3
249.05560	2.0
249.09117	6.6
249.11215	100.0
249.15010	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.04486	1.4
73.42386	1.8
73.48080	1.9
77.92316	1.5
82.11499	2.0
85.38955	1.6
91.05446	3.8
115.05411	2.1
117.06956	4.2
129.06999	12.5
131.08540	20.1
133.10103	2.0
141.06955	3.0
143.08543	3.9
144.05702	2.8
144.63445	1.8
145.06471	2.6
146.07230	3.4
147.04300	2.0
149.05974	2.4
153.06952	3.3
157.06462	8.2
159.08046	35.2
161.09587	7.8
164.64145	2.3
170.07259	4.2
171.08005	7.3
175.07605	2.9
187.07558	23.9
189.09073	10.3
192.14937	2.1
199.07628	2.5
201.05399	2.8
203.06911	2.9
204.07819	17.5
216.07707	3.4
218.09344	2.2
219.61816	2.4
220.07654	2.3
221.52618	1.9
231.10161	9.9
249.09227	5.1
249.11197	100.0
249.14981	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
62.36309	0.7
84.75034	1.0
91.05477	2.1
97.04577	0.9
102.15793	1.2
102.89459	1.1
105.07017	1.4
107.04954	2.2
115.05411	1.4
117.06981	1.2
128.06197	6.8
129.06989	17.4
131.08559	21.4
133.06467	1.5
133.10112	1.3
141.06982	7.3
142.07785	1.5
143.08551	5.7
144.05673	4.8
145.06454	4.0
146.07239	2.2
153.06966	3.7
156.05690	1.2
157.06467	10.5
159.08047	34.0
161.05948	1.8
161.09598	9.2
169.07643	4.0
170.07213	6.8
171.08012	7.7
172.05176	1.9
173.05901	3.1
174.06744	1.8
175.07558	1.7
187.07527	24.5
188.08353	1.1
189.05518	1.6
189.09117	11.9
190.06296	1.9
198.06764	2.4
199.07532	4.6
201.05443	1.1
203.07019	4.4
204.07823	17.8
205.08612	1.3
216.07756	5.7
217.08505	1.0
219.10239	1.6
221.07910	1.4
221.11734	5.0
231.10210	7.4
249.11194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48130	0.6
54.84074	0.6
55.05506	3.4
57.03235	0.7
57.03445	12.6
59.05011	1.1
61.02924	0.9
62.40306	0.7
67.05521	1.1
67.28790	0.8
69.03429	6.5
69.07063	0.7
69.53787	0.6
71.01358	1.6
71.04994	46.0
73.02915	7.8
75.04475	13.4
79.05477	0.8
81.03409	1.8
81.07064	1.7
83.04974	8.2
83.78931	0.6
84.08135	0.9
85.02907	100.0
85.06540	3.7
87.04468	1.8
88.03951	0.9
91.05443	1.1
93.07043	1.8
95.04966	4.5
95.08618	1.2
97.02866	1.1
97.06525	4.3
99.04462	3.5
101.06046	1.6
103.57579	0.8
109.06525	8.9
111.04444	3.4
113.06010	1.8
114.34669	0.8
123.08073	0.8
125.05987	1.2
127.04012	0.8
129.05473	17.2
131.08519	0.9
135.08032	1.0
139.07581	2.9
143.07118	1.1
144.08151	0.8
144.55234	0.7
146.05972	1.4
147.06517	5.7
155.06973	1.1
157.08618	0.9
165.09125	1.0
177.09084	0.9
183.10022	1.1
188.07161	1.9
195.10129	1.5
201.74203	0.8
213.11179	1.5
226.61732	1.0
231.00690	0.8
249.12810	1.4
249.15755	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
50.83413	2.5
50.87975	3.1
55.05523	11.7
57.07072	5.1
67.05506	21.6
69.03434	3.4
69.07066	15.3
79.05498	21.5
81.07062	35.2
83.08636	3.8
85.44749	2.7
88.53635	2.9
91.05467	12.2
93.07050	31.6
95.04993	5.0
95.08611	28.7
101.16140	3.0
105.07046	20.0
107.08599	24.1
109.06583	4.8
109.10168	13.4
113.02372	18.4
117.29460	3.3
119.08572	14.8
121.06484	3.4
121.10139	46.4
123.04421	3.8
123.08077	6.0
124.13779	2.9
133.10109	12.7
135.11694	12.0
137.05998	19.5
137.09630	3.3
137.13252	6.7
143.08519	3.3
145.10071	3.8
147.08067	3.5
147.11658	6.1
149.13214	5.0
151.07559	5.7
161.06015	3.6
161.09624	4.5
161.13194	11.6
162.06805	3.0
163.07495	3.9
170.10944	3.8
175.07516	18.3
179.07021	74.7
185.13123	4.3
189.12717	4.7
191.32085	2.7
193.08678	6.6
203.14430	4.7
213.12662	11.9
231.13774	100.0
231.21060	4.5
239.79810	3.0
249.14796	79.2
249.18530	22.5
249.22066	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
55.01861	3.5
55.05518	13.9
57.07095	2.7
59.05027	2.0
62.59031	2.0
65.03944	2.4
65.56989	2.1
67.05511	89.4
69.07072	15.7
73.02908	2.5
79.05501	36.1
80.73270	2.2
81.03445	2.7
81.07060	100.0
81.54582	2.2
83.04979	4.1
83.08607	3.0
91.05482	45.2
93.07044	45.8
94.75710	2.1
95.04958	11.0
95.08611	71.7
97.02891	17.6
105.07037	51.0
107.04963	26.9
107.08594	20.0
109.10180	20.2
117.07010	11.0
119.04922	4.3
119.08578	49.0
121.06518	11.7
121.10157	17.5
123.08092	2.6
123.11731	13.6
127.75625	2.3
129.06987	13.2
131.08537	4.1
133.06496	33.3
133.10123	30.6
135.08089	4.3
135.11688	26.2
137.06078	3.1
137.13266	5.4
143.08578	10.3
145.10123	2.9
147.08083	15.0
147.11667	20.4
149.09726	2.9
151.07483	2.8
157.10130	3.9
159.11690	5.1
161.09607	4.2
161.13254	18.9
173.27670	2.4
175.14806	19.3
185.13286	11.6
203.14359	13.0
218.81216	2.9
231.13741	3.1
249.14883	12.6
267.15891	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05519	4.8
57.07089	2.5
57.76453	2.3
60.49230	2.1
61.40975	2.2
67.05506	11.0
69.07063	11.9
79.05498	12.7
81.07050	33.0
83.08627	4.1
91.05464	4.3
93.07050	16.1
95.04967	4.8
95.08616	17.9
98.61304	2.3
104.87241	2.8
105.07039	4.7
107.08600	16.9
109.06509	16.8
109.10153	13.7
111.04440	14.0
119.08608	10.0
121.10127	19.4
133.10129	12.1
135.08115	6.1
135.11707	6.6
137.05980	100.0
147.11693	17.6
149.09601	4.2
151.07536	3.8
151.11172	2.8
151.90187	2.7
157.10094	2.9
161.09613	17.4
161.13171	4.4
175.11221	11.5
185.04852	6.1
193.12160	3.6
203.05937	6.0
203.17946	17.6
213.16451	5.5
221.18935	3.3
231.17462	20.7
234.00270	2.7
249.18582	25.0
249.22124	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01870	3.4
55.05529	5.6
57.07088	3.5
57.25959	2.7
61.12547	3.1
67.05505	20.0
67.50969	2.6
69.07069	13.7
71.08607	4.1
74.69591	3.2
77.83448	3.3
79.05490	17.6
79.40446	2.9
81.07062	49.4
83.05029	4.4
83.08620	5.1
91.05490	7.6
93.07043	19.6
95.04959	4.6
95.08616	25.6
97.25766	3.2
105.07043	5.1
107.08603	18.7
109.06522	15.5
109.10156	13.4
111.04440	17.2
119.08591	13.3
121.10131	21.3
125.06004	6.4
133.10094	14.4
135.11688	17.4
137.05984	100.0
137.09644	8.7
147.08043	4.4
147.11693	14.9
149.09613	7.4
151.11147	5.7
161.09602	19.7
161.13229	5.8
163.11226	4.1
163.59331	4.0
165.09096	4.1
171.11707	3.8
173.84758	3.6
175.11154	8.6
176.18356	3.3
182.52647	3.6
191.53500	3.6
200.53810	6.6
203.17960	29.1
207.52902	5.8
213.16400	4.0
231.17419	18.8
249.11258	4.6
249.14859	4.7
249.18466	43.2
249.22163	15.2
265.10419	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.55371	2.5
55.01870	3.0
55.05507	4.3
67.05501	5.3
69.07064	12.4
79.05505	6.3
81.07064	22.9
86.37241	2.3
93.07050	6.8
95.08613	15.5
101.23238	2.8
107.08622	5.4
109.06521	3.8
109.10153	6.0
111.04459	21.1
112.96114	2.5
119.08566	4.0
121.10169	6.7
123.08070	3.0
123.11710	5.4
125.05989	3.3
125.96578	3.2
133.10101	11.4
135.08093	5.3
135.11790	3.8
137.05986	100.0
147.07982	3.3
147.11711	12.5
151.11168	2.8
160.92247	2.6
161.09627	13.9
161.13428	3.3
163.11256	3.3
165.09143	4.2
171.11693	3.1
175.11188	14.6
189.12621	3.2
193.12119	4.5
203.17957	15.8
231.17491	19.5
249.18570	21.2
249.22182	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.00462	1.8
55.01869	3.2
55.05513	4.7
57.03436	2.3
57.07090	3.4
62.55225	1.7
67.05509	11.8
69.07060	10.9
79.05503	9.2
81.07072	32.9
83.04996	2.7
91.05460	4.0
93.07023	15.6
95.08603	18.5
104.37988	2.2
105.07053	5.2
107.08597	13.3
108.50072	2.2
109.06524	11.1
109.10161	11.6
111.04423	15.6
115.28645	2.3
119.08599	12.4
121.10147	13.4
123.11691	4.2
127.87866	2.2
130.25465	2.5
133.10139	5.0
134.87753	2.3
135.08026	3.7
135.11674	5.4
137.05991	100.0
137.09601	2.8
147.08081	4.3
147.11723	16.1
149.13196	3.3
151.07600	2.7
160.46475	2.3
161.09531	17.0
161.13254	5.1
163.11198	3.7
165.09093	3.0
175.11211	11.4
175.14894	3.3
177.12761	2.7
179.10643	2.4
184.05318	2.4
189.12848	2.7
193.12222	2.6
203.17978	15.1
213.16324	3.5
221.19075	3.9
231.17409	18.7
231.21149	3.0
249.18661	22.1
249.22015	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03967	2.8
53.29976	2.7
55.05511	14.6
57.07080	3.0
58.16351	2.6
59.37896	3.0
61.54562	2.7
63.31596	2.6
67.05508	28.4
69.07072	20.5
79.05496	79.8
80.27316	2.7
81.07059	40.3
81.44030	2.8
83.08621	6.5
85.06522	3.6
89.08497	3.4
91.05483	21.1
91.94595	3.1
93.07042	100.0
95.04959	5.6
95.08609	30.8
98.59742	2.6
105.07031	26.4
107.08599	55.3
109.10156	21.8
114.26259	3.3
119.08582	27.1
121.10136	67.0
129.26413	2.9
131.08557	5.8
133.10132	37.6
134.01215	3.0
135.11693	42.4
139.00841	3.6
145.10167	4.4
147.11668	32.1
149.09602	3.9
149.13254	5.9
152.83324	3.4
171.11656	11.3
175.11188	5.2
179.06996	3.5
189.16351	5.3
213.16386	12.0
231.17374	5.2
249.14639	5.2
249.18469	92.2
249.21303	4.4
249.22089	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05514	16.0
67.05504	21.9
69.07060	24.5
71.04962	2.5
72.39606	2.3
72.43517	2.3
79.05495	73.8
81.07056	24.4
83.08609	12.4
85.06541	3.8
89.00175	2.2
91.05455	17.5
93.07037	100.0
94.39056	2.4
95.08591	27.0
105.07034	19.9
107.08601	70.6
109.06490	2.4
109.10158	5.8
117.06969	3.1
119.08571	20.7
119.93672	2.6
121.10133	61.2
129.06960	3.6
133.10110	26.7
135.08032	2.8
135.11670	34.1
147.11711	22.7
149.09714	2.7
149.13242	9.6
157.10069	5.0
161.13257	4.3
171.11653	5.5
189.12733	2.9
189.16316	5.1
203.14455	2.6
213.16394	4.6
231.17494	5.7
249.18466	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05519	15.8
58.27341	1.5
67.05513	21.5
69.07072	19.1
71.04970	2.7
73.06535	2.2
79.05496	76.8
81.07060	32.8
83.05014	1.9
83.08610	9.6
85.06495	2.3
88.57333	1.6
91.05487	28.5
91.24529	2.1
93.07040	100.0
95.04922	2.8
95.08611	32.7
97.10112	2.0
104.57374	1.5
105.07030	25.7
107.07933	2.9
107.08596	60.2
109.06511	2.1
109.10195	13.6
111.08006	2.0
117.06945	1.9
119.08571	24.6
121.10133	59.7
123.08117	1.8
123.11716	2.7
129.06943	2.0
131.08536	9.4
133.10135	26.0
135.08028	2.6
135.11684	47.7
142.58516	1.9
143.08589	3.4
145.10121	8.8
147.08066	2.1
147.11679	35.0
149.09605	3.0
149.13290	12.6
157.10120	5.9
159.11699	2.8
161.09576	7.1
161.13185	3.1
163.11136	2.4
171.11710	11.1
171.71194	1.7
175.11147	3.7
179.10658	3.5
187.14795	2.1
189.12698	2.8
189.16396	11.5
193.12276	6.7
203.05734	1.8
203.17810	2.1
207.13799	3.8
213.16376	10.8
231.17409	8.2
249.18448	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
55.05499	1.8
56.51136	1.0
57.07088	22.5
58.00145	1.1
65.37991	1.2
66.10590	1.0
67.05505	4.9
79.05484	6.4
81.07061	5.5
91.05475	5.2
93.07046	14.3
95.04986	1.8
95.08605	5.9
97.14835	1.2
105.07025	2.6
107.08595	6.5
107.71963	1.2
111.41843	1.4
117.07017	1.3
119.08546	5.2
121.10151	10.8
131.08536	1.8
133.10117	2.6
135.11665	2.3
137.06000	12.9
147.11707	2.0
148.27518	1.2
193.12239	66.7
200.39172	1.5
233.45334	1.2
249.18501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	Madolin L
Peak:m/z	Relative Intensity
52.23934	0.4
54.76293	0.3
57.94278	0.3
61.19303	0.3
67.05492	2.0
69.07062	0.8
79.05473	1.6
81.07037	1.8
81.64439	0.4
85.43004	0.3
91.05456	0.4
92.21007	0.6
93.07024	0.8
95.04384	0.7
95.04960	12.3
95.08603	0.7
99.69438	0.4
102.63355	0.3
106.99581	0.3
107.08574	0.5
109.06515	1.6
119.08636	0.5
121.06486	0.7
123.04436	1.7
133.10129	0.7
137.05980	4.8
199.28577	0.4
249.18477	100.0
261.30481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.27394	3.2
53.03958	5.3
55.05515	18.2
61.75975	3.2
67.05516	36.5
69.07076	43.9
79.05489	16.6
81.03429	75.1
81.07066	36.5
83.04981	15.8
83.08638	8.8
83.97892	3.2
91.05483	8.9
93.07044	19.8
95.04982	50.6
95.08606	19.1
97.10188	5.4
98.31757	3.9
105.07037	21.8
107.08594	14.5
109.06522	7.5
109.10145	9.1
111.09240	3.8
119.08572	6.3
121.10123	9.7
123.08072	4.8
123.11693	6.4
133.10156	15.3
135.11722	6.3
147.11731	5.6
151.11171	31.1
161.13278	5.4
165.12796	7.4
203.18001	6.2
205.85574	3.8
228.97531	4.2
249.18388	14.2
249.22119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
51.28628	1.2
53.35632	1.2
55.05519	22.5
56.12410	1.1
57.06836	2.1
57.07084	37.8
61.36089	1.5
67.05507	12.4
69.07073	73.3
71.04977	2.3
71.08617	7.7
71.23311	1.3
79.05480	3.1
81.03391	2.8
81.07055	21.1
83.08627	27.1
85.06512	1.8
91.05462	2.0
93.07036	13.5
95.04974	13.9
95.08611	35.2
97.06531	3.3
97.10188	17.2
97.20597	1.8
105.07029	8.4
107.08608	14.4
109.06525	61.7
109.10150	63.4
111.08082	2.6
111.75162	1.3
119.08587	17.2
121.10139	17.5
123.08074	10.9
123.11710	25.4
133.10152	10.5
135.11688	7.7
137.09602	32.3
137.13231	3.3
147.11681	5.7
149.13249	1.9
151.11147	7.4
151.14764	1.8
155.39452	1.5
157.15858	1.5
161.12065	1.8
161.13232	13.2
175.14803	6.8
179.14316	3.4
185.04721	2.3
189.09102	1.9
189.10712	1.4
191.17899	1.8
192.15251	1.5
193.15927	1.5
203.05878	3.2
214.88649	1.5
217.08466	1.5
231.21007	8.8
249.18301	2.7
249.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
55.05515	23.6
67.05510	42.3
69.07076	42.9
79.05512	36.0
81.03429	66.4
81.07069	59.5
83.04978	21.0
83.08616	6.3
85.90682	3.8
91.05473	18.5
93.07050	52.9
95.04999	37.0
95.08597	42.4
97.10163	8.5
105.07036	26.7
107.08593	40.7
109.06522	5.0
109.10171	20.4
112.16070	4.2
119.08583	26.4
121.10122	19.6
123.11672	9.8
133.10146	18.0
135.11696	9.0
147.11667	8.1
151.11209	38.6
161.13225	7.0
165.12758	10.8
168.33934	4.7
185.13364	4.9
189.12657	6.0
249.14706	7.3
249.18504	27.3
249.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
50.63387	1.9
53.03961	4.5
55.01897	2.3
55.05525	19.4
57.07075	5.4
57.82340	1.9
65.17388	2.2
67.05509	33.2
69.07079	37.9
71.08649	3.0
72.51640	2.2
79.05500	20.3
81.03431	48.4
81.07068	40.1
83.04974	16.6
83.08626	4.0
88.72762	2.2
91.05486	4.4
93.07040	13.2
95.04964	45.4
95.08620	18.2
97.10162	4.3
105.07021	9.5
106.31796	2.3
107.08601	12.2
109.06514	13.0
109.10168	15.1
119.08607	10.7
121.10167	10.9
123.08026	3.1
123.11747	5.8
125.61333	2.4
128.04958	2.9
133.10139	13.8
135.11732	5.1
137.05986	14.9
141.05714	3.4
147.11670	5.1
150.06187	20.5
151.08965	2.2
151.11194	35.0
159.06741	5.9
161.13219	4.8
165.12746	9.6
179.14302	5.4
185.10120	3.2
186.84395	2.3
194.10661	13.1
209.20157	2.7
218.62527	2.5
231.21028	5.9
237.86777	2.7
249.18457	2.9
249.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52565	1.8
55.01887	2.5
61.08971	1.9
67.85651	2.2
68.72615	2.1
70.06596	5.6
81.03407	3.5
86.09710	3.0
87.04459	2.4
91.05476	2.9
99.04432	16.4
109.02881	39.5
113.06012	21.9
115.03922	16.8
118.04957	3.2
121.06509	2.4
127.03931	32.8
137.02339	100.0
137.06012	3.7
141.05470	61.1
147.04448	4.7
151.03935	10.1
152.07082	19.0
155.03412	32.6
158.11757	4.2
164.07079	3.7
169.04965	39.6
187.06003	84.4
201.03897	9.4
202.18063	2.9
204.12349	9.1
213.40408	2.4
215.05511	85.2
218.65341	2.4
219.05049	2.6
222.99724	2.2
232.06165	2.9
250.06990	3.8
250.09290	15.0
250.10904	3.3
250.20079	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71684	0.7
69.03453	1.3
69.19183	0.8
71.08621	1.2
72.04513	1.5
81.03423	1.4
85.02913	1.3
87.04463	1.2
88.11289	3.3
89.66502	0.8
93.07047	1.1
96.04510	1.0
97.02898	3.6
99.04461	6.5
100.11249	12.1
102.36028	0.9
109.02877	11.0
111.85345	0.7
112.07594	2.9
113.05995	6.6
115.03924	3.2
121.06496	25.5
126.34386	0.8
127.03914	12.6
130.12260	0.9
136.06206	5.4
137.02338	28.6
141.05473	18.1
144.06519	0.9
145.05005	1.3
151.03889	1.1
155.03387	9.4
158.08142	1.4
164.07034	1.3
164.10736	1.6
169.04915	9.9
172.13280	1.5
173.04480	2.0
176.09175	7.2
187.06013	26.3
192.08754	7.4
201.03976	3.6
204.08629	2.8
214.14365	11.7
215.05489	30.0
222.09708	1.6
232.13393	5.4
232.15407	100.0
250.09190	8.3
250.10747	4.3
250.12726	4.1
250.14317	13.6
250.16574	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50249	2.4
57.03420	2.8
59.44762	2.3
59.54039	2.3
61.11135	2.5
62.65228	2.5
70.06585	19.5
70.45885	2.4
74.78014	2.5
78.41984	2.8
81.03403	4.4
86.09734	4.6
89.07293	3.1
96.80327	2.9
97.32141	3.6
99.04467	13.1
109.02879	27.4
109.83260	2.7
113.06007	29.8
115.03949	13.0
121.06528	3.1
127.03925	29.5
136.06126	4.3
137.02339	93.3
141.05463	57.6
147.04466	3.6
151.03833	4.1
152.06999	5.0
155.03374	35.3
169.04951	42.0
173.04449	4.6
187.06010	100.0
190.08673	3.8
201.03973	13.4
204.10121	3.5
215.05527	78.7
219.04816	3.5
232.00821	3.1
232.09637	4.1
246.50298	3.3
250.09210	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12649	1.6
55.03687	1.3
56.38989	1.9
60.34763	1.6
65.03819	1.8
71.08629	1.9
71.25797	1.4
72.17086	1.6
72.92168	1.6
73.26715	1.5
81.03400	4.4
90.59634	1.6
99.04447	11.4
100.11250	13.1
109.02891	28.1
113.06021	16.4
115.03923	7.7
121.06521	8.8
127.03915	23.6
136.06181	2.1
137.02339	82.0
141.05466	45.5
145.06467	1.7
151.03888	3.7
155.03413	22.7
162.07660	2.1
164.07176	2.0
169.04903	27.1
171.36731	1.8
173.04405	2.0
176.09200	1.8
187.06015	69.3
201.03992	9.5
214.14380	9.8
215.05489	61.2
215.07495	2.8
219.05013	2.0
232.11902	2.8
232.15427	100.0
250.06992	3.7
250.10692	12.1
250.12991	6.7
250.16554	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48178	1.1
62.22516	1.2
67.25092	1.2
69.03438	1.5
71.08630	2.5
80.39645	1.3
81.03429	2.0
85.02902	2.3
86.06004	1.2
87.04452	2.5
97.02885	3.1
99.04469	9.0
99.84213	1.3
100.11264	15.0
109.02893	14.8
113.05984	11.1
115.03924	2.6
124.44639	1.6
127.03909	15.7
130.12285	1.8
137.02322	44.4
141.05464	27.5
142.12369	1.4
145.04915	1.9
151.03899	4.8
152.05692	2.3
155.03340	12.0
164.07089	5.5
169.04942	16.0
173.04491	1.8
187.06023	45.5
187.07471	1.8
201.03996	3.1
204.06567	1.8
214.14348	9.3
215.05484	38.1
231.17087	1.4
232.05954	1.3
232.09799	1.7
232.15419	100.0
250.08952	7.7
250.10785	13.8
250.14352	2.3
250.16501	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.5
59.05008	0.6
69.03432	0.8
84.04502	0.8
84.08124	1.2
85.02913	3.4
86.09701	1.0
87.04459	0.8
88.11288	1.0
91.05479	2.6
93.07017	5.9
95.04955	1.0
96.89386	0.6
97.02881	1.6
99.04409	1.2
100.11264	6.5
102.05559	2.9
103.05512	1.1
109.02840	0.7
113.52571	0.6
117.81262	0.7
121.06505	100.0
127.03932	0.8
130.05003	61.5
130.12306	1.1
136.06192	19.0
137.02333	1.3
141.05457	0.8
142.12234	1.1
155.10638	0.7
161.05910	6.2
162.05547	1.0
163.06247	12.8
166.12282	1.3
173.05984	3.9
176.06979	0.8
176.09186	11.6
177.07867	0.8
178.08582	2.9
204.10182	1.2
206.11729	9.7
214.14349	9.6
215.05598	1.2
215.10625	1.4
232.06221	1.0
232.09718	14.1
232.13370	4.8
232.15428	61.9
250.10728	43.7
250.14308	9.8
250.16519	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
55.55865	0.5
56.34573	0.5
57.03448	11.7
57.93938	0.5
60.04530	0.7
69.03426	1.2
72.04507	0.6
81.03425	0.6
83.84912	0.5
84.04516	1.2
84.08145	2.7
84.66397	0.5
85.02908	1.3
87.04459	0.6
88.11275	1.1
91.05474	2.4
91.33199	0.6
93.07046	4.5
95.04964	1.3
97.02893	1.2
100.11261	7.4
102.05548	0.8
103.05477	0.9
104.56699	0.7
104.65336	0.6
114.09183	1.3
118.90607	0.6
121.06506	64.5
123.04482	1.0
123.25208	0.7
127.03915	0.9
130.05005	36.3
130.12254	1.1
136.05144	1.0
136.06190	26.9
136.07188	1.2
137.05986	2.5
139.90881	0.6
143.08510	0.7
146.06071	0.7
149.05986	1.1
158.08159	0.7
161.05974	18.1
162.05475	7.0
163.06282	29.8
163.07642	1.3
164.07036	0.8
166.12292	0.8
169.06485	0.8
169.10297	0.6
173.05969	12.7
175.07535	0.8
176.07095	3.9
176.09158	9.2
178.08650	16.2
186.09149	0.7
187.07573	1.2
189.09102	3.6
190.08644	1.3
197.09598	0.7
197.31950	0.7
203.10732	1.1
204.06711	4.7
204.08270	0.6
204.10239	3.4
206.11800	0.9
214.08569	0.8
214.12489	1.0
214.14378	9.2
215.10767	7.0
217.07384	1.4
222.07530	1.2
232.05981	3.7
232.09691	100.0
232.13338	9.3
232.15399	50.6
232.17885	1.1
233.08168	0.7
233.11752	2.4
250.07053	3.4
250.10730	41.9
250.14371	16.4
250.16521	6.4
254.20091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.53154	0.6
64.62592	0.5
68.05042	0.6
72.04531	0.7
85.02877	0.7
87.04478	0.8
88.11247	0.6
91.05479	0.9
93.07028	2.5
95.02879	0.5
95.04976	0.6
97.02925	0.7
100.11231	4.0
103.05467	1.4
112.07604	10.8
115.01308	0.5
121.06499	95.5
127.03941	0.7
130.08614	5.0
137.02397	0.7
137.05908	0.9
158.08128	1.0
158.69229	0.6
164.07103	0.9
164.10616	1.0
173.05894	0.6
176.09135	4.1
178.08647	3.3
189.09261	0.6
190.08635	2.6
204.10202	14.8
214.14357	4.4
232.09679	64.5
232.13303	16.8
232.15445	30.7
242.08185	0.8
250.10722	100.0
250.14352	61.3
250.16397	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1436
Annotation	Ruspolinone
Peak:m/z	Relative Intensity
57.03443	37.7
70.06585	1.6
74.40978	1.0
84.08140	6.2
85.02875	1.2
85.06532	1.3
87.04462	1.5
92.56359	1.2
93.07050	1.6
100.11273	1.4
114.09185	1.2
114.37531	1.3
115.05439	1.4
116.18117	1.1
120.48585	1.2
121.06499	17.7
123.04440	1.9
130.04982	10.1
136.06163	7.4
137.05959	4.7
143.04886	1.5
146.06000	2.1
147.04497	1.3
149.05965	2.3
161.05966	45.8
162.05531	11.0
163.06271	100.0
164.07047	2.8
164.10661	1.9
169.06477	1.8
169.10141	4.5
173.05949	25.5
175.07500	4.7
176.07072	11.8
177.07791	1.6
178.08611	4.5
188.16461	5.1
197.09605	6.8
203.10686	2.7
206.11748	31.6
214.14359	2.1
215.10645	18.1
232.09627	5.5
232.13295	33.2
232.15460	14.5
233.11749	7.8
250.06961	2.1
250.10751	17.1
250.14491	53.2
250.20119	4.7
262.56067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77670	0.5
57.03441	0.7
57.71063	0.6
61.02910	0.6
63.94191	0.6
69.03436	0.8
70.06602	1.3
74.06069	1.3
84.04511	0.9
84.08106	1.0
85.02914	2.9
86.01494	0.7
87.04465	1.3
88.11256	3.0
91.05473	0.8
93.07043	1.6
97.02898	1.0
99.04475	1.1
100.11261	20.8
101.00932	0.6
103.05449	0.8
116.07101	0.7
117.92466	0.7
121.06503	41.0
127.03964	0.7
130.05009	25.4
130.12277	3.2
136.05139	1.5
136.06183	43.0
142.12291	1.4
143.05818	1.2
156.37282	0.8
163.06189	0.9
166.12262	2.8
170.11736	1.2
172.13383	1.6
176.09196	11.7
178.08643	5.7
204.06630	3.1
214.14368	17.9
222.07588	3.0
232.06067	1.2
232.09766	6.1
232.15434	100.0
250.07034	3.8
250.10992	21.7
250.14397	1.0
250.16513	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81161	0.4
57.03440	0.4
69.03433	1.9
71.08632	1.2
72.04519	1.0
73.02905	0.8
74.06077	0.9
81.03415	0.8
84.04499	0.7
85.02912	0.8
86.06065	0.5
86.09680	1.0
87.04454	0.7
88.11251	4.2
97.02879	2.4
98.09711	0.6
100.11256	19.1
116.07096	0.7
117.09949	0.5
127.03899	2.1
130.12253	3.2
133.15106	0.5
136.06206	1.2
142.12225	1.1
144.06566	0.5
154.12259	0.6
158.08101	2.0
158.11754	0.6
166.12177	1.6
170.11732	0.8
172.13312	2.1
176.09169	9.6
196.13408	0.6
204.10205	3.7
214.12468	0.9
214.14360	14.1
214.16289	0.8
232.09706	10.8
232.15416	100.0
250.06885	0.8
250.10800	18.2
250.14336	0.8
250.16486	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16143	5.3
72.08158	11.5
73.26248	5.4
84.04505	7.8
85.02948	7.5
89.07141	8.1
93.91431	6.2
96.92838	9.7
101.07130	7.3
108.04489	7.7
126.05492	7.1
133.03493	6.3
138.05528	11.0
150.05482	31.0
152.07027	6.4
156.06528	12.0
167.08142	98.5
170.05110	12.1
174.07663	10.6
197.09254	11.6
198.11276	6.5
215.10277	100.0
233.05090	7.9
233.11420	10.0
250.97205	95.0
251.10092	58.6
251.12433	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
60.37913	3.0
67.05523	4.8
69.03420	14.1
79.05508	8.1
81.07042	6.2
84.30173	3.3
84.63241	3.1
88.60435	3.3
91.05490	21.4
93.07034	31.0
95.04960	6.2
99.04481	13.8
105.07022	32.8
107.04943	8.3
107.08601	5.0
109.06523	14.6
111.08060	19.1
113.02354	4.0
117.07018	7.6
119.04903	5.6
119.08564	15.4
121.06516	21.0
125.06007	50.1
128.06210	7.2
131.08556	16.4
133.06506	5.2
133.10130	22.4
135.08015	6.9
137.05972	35.7
139.07565	7.8
143.08548	13.6
145.02820	7.2
145.06477	17.8
146.49680	3.2
147.08057	27.0
149.09674	5.9
159.08064	6.4
161.09642	39.5
163.07547	15.8
165.09065	4.4
171.08057	14.5
175.03836	3.4
175.07538	13.8
177.05450	7.1
177.09117	21.0
187.07544	7.1
189.09087	33.7
191.07048	17.5
193.08604	13.9
195.10133	4.3
205.08594	24.3
207.10188	22.8
221.07974	12.4
223.07541	3.8
223.09589	5.6
233.08057	79.7
251.06883	9.4
251.09138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	(+)-Goniopypyrone
Peak:m/z	Relative Intensity
55.01880	3.7
60.37913	3.0
67.05523	4.8
69.03420	14.1
79.05508	8.1
81.07042	6.2
84.30173	3.3
84.63241	3.1
88.60435	3.3
91.05490	21.4
93.07034	31.0
95.04960	6.2
99.04481	13.8
105.07022	32.8
107.04943	8.3
107.08601	5.0
109.06523	14.6
111.08060	19.1
113.02354	4.0
117.07018	7.6
119.04903	5.6
119.08564	15.4
121.06516	21.0
125.06007	50.1
128.06210	7.2
131.08556	16.4
133.06506	5.2
133.10130	22.4
135.08015	6.9
137.05972	35.7
139.07565	7.8
143.08548	13.6
145.02820	7.2
145.06477	17.8
146.49680	3.2
147.08057	27.0
149.09674	5.9
159.08064	6.4
161.09642	39.5
163.07547	15.8
165.09065	4.4
171.08057	14.5
175.03836	3.4
175.07538	13.8
177.05450	7.1
177.09117	21.0
187.07544	7.1
189.09087	33.7
191.07048	17.5
193.08604	13.9
195.10133	4.3
205.08594	24.3
207.10188	22.8
221.07974	12.4
223.07541	3.8
223.09589	5.6
233.08057	79.7
251.06883	9.4
251.09138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
66.22929	0.8
70.06598	1.1
80.08998	1.0
84.08166	2.0
87.04465	65.2
92.05016	1.1
93.07069	1.1
94.06573	6.0
97.02903	2.4
100.99168	1.0
105.07054	1.1
118.96411	1.2
120.04476	8.1
121.06561	1.6
122.06059	4.2
129.07025	1.3
131.04965	1.1
131.08595	1.3
137.06044	1.1
145.06476	1.8
147.04437	1.6
148.03938	23.7
148.05051	1.6
149.06035	2.2
154.03673	1.1
157.06490	1.6
163.03839	1.1
165.05432	2.3
165.06595	41.8
175.07625	4.1
177.05516	1.1
179.74483	1.0
187.07593	2.0
188.07124	2.3
189.05429	1.2
191.07083	2.3
193.08662	1.1
198.44481	1.1
203.07126	3.8
208.08466	1.9
233.07635	9.6
242.81960	1.1
251.10359	100.0
251.13205	3.1
251.14117	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.05520	1.3
56.96569	2.8
57.03443	2.1
61.02925	2.3
63.48977	1.0
69.03429	7.2
72.04528	9.2
72.08170	9.6
76.86874	1.3
81.03426	2.9
83.04984	1.8
84.04514	7.9
85.02898	15.2
89.07151	11.5
97.02884	16.6
98.97566	1.6
99.04477	1.9
101.07156	9.7
108.04485	19.3
109.02886	2.7
110.06039	1.9
112.03967	5.8
114.05505	1.5
119.04475	1.5
122.05968	1.9
126.05508	10.7
127.03893	6.3
128.04333	1.3
129.03947	1.4
131.00177	3.1
131.02077	1.3
132.03433	6.6
133.03452	2.7
134.06001	2.7
135.08270	1.3
138.05507	11.1
143.01880	2.2
144.06613	1.9
145.03423	2.3
145.04895	2.0
146.04958	1.9
149.01236	3.1
150.05505	34.2
152.05011	1.6
152.07085	5.1
154.04988	2.0
156.06548	17.1
159.05008	2.9
161.05573	18.3
162.05519	5.6
167.08142	92.9
168.06584	2.1
170.06181	13.6
173.02988	1.8
174.07631	23.5
177.06027	6.3
179.08044	2.3
180.06538	2.3
189.04382	1.7
191.03952	2.9
195.07133	2.7
197.09233	19.4
198.07648	2.4
215.10274	100.0
216.12138	2.0
219.07156	20.9
231.07162	2.7
233.05147	1.4
233.11319	22.0
241.58188	1.2
250.96939	2.3
251.06389	1.7
251.10103	5.7
251.12308	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04553	1.3
64.33039	1.4
69.03442	2.9
72.04519	10.5
72.08130	2.9
81.03433	1.9
84.04512	10.4
85.02907	1.6
89.07162	10.2
94.92995	3.1
95.04996	1.7
96.04495	2.1
96.92833	6.0
97.02898	2.3
98.06036	1.8
99.76079	1.2
101.07138	13.3
108.04472	22.6
110.06004	1.6
110.19616	1.4
112.03953	2.7
117.16328	1.3
126.05518	9.7
127.03878	2.8
134.06010	2.4
138.05469	10.5
150.05496	32.8
152.07126	1.9
156.06566	21.1
162.05479	2.7
167.08150	89.7
168.06621	1.8
174.07600	22.5
179.08144	2.6
180.06552	2.7
197.09219	18.4
198.07660	3.0
215.10262	100.0
218.87788	1.6
226.32661	1.5
233.11281	22.0
250.89597	1.7
250.97101	9.0
251.10095	2.9
251.12384	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1387
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
54.70303	0.4
57.03413	0.5
66.76534	0.4
68.08659	0.4
71.52729	0.5
72.08154	22.0
80.57127	0.4
89.03901	0.8
89.10787	15.9
98.06035	0.7
117.03397	0.9
121.06470	2.7
122.06820	4.3
130.04997	1.1
131.05305	2.0
135.04416	4.1
137.06078	0.5
145.02838	4.7
163.03885	100.0
164.06622	0.5
174.06279	0.6
179.08978	0.7
191.07002	0.5
197.25620	0.5
207.12070	0.7
233.09877	1.0
234.11237	11.6
251.11153	2.1
251.13840	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1388
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.53584	0.7
63.04875	0.6
66.86130	0.7
79.38108	0.7
80.49516	0.6
83.69037	0.7
84.04505	26.4
85.02894	0.8
95.04959	0.9
105.07035	100.0
107.04944	1.0
122.09666	38.4
130.04979	6.7
131.21028	0.7
145.10112	0.7
191.06993	1.2
205.13397	4.3
223.07593	1.1
234.11250	25.8
251.06882	3.0
251.10609	1.1
251.13896	7.8
251.17621	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.89108	7.1
55.01878	36.8
55.05515	43.4
56.03127	6.8
56.83625	6.3
57.07069	36.8
60.28103	6.3
67.05515	75.8
69.07075	42.5
71.08645	13.2
72.24661	8.3
79.05492	42.9
81.07066	100.0
83.08619	16.1
93.07036	42.4
95.08598	80.0
97.06512	10.8
97.10166	34.3
105.06995	11.6
107.08573	32.6
109.10184	59.7
117.06991	10.0
121.10141	40.2
123.08020	9.0
123.11726	30.5
125.09679	53.0
128.70842	7.1
131.08563	10.3
133.10182	9.4
135.11659	33.0
142.63161	7.8
145.10051	9.4
149.13269	11.1
153.12813	11.3
159.11632	15.7
163.97690	12.5
169.15793	8.6
169.29114	7.5
186.99376	9.2
195.10176	13.9
207.63034	14.9
208.08868	8.1
233.18993	18.8
251.16405	18.7
251.20059	81.9
251.23874	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.05513	6.8
56.79608	1.1
57.07087	2.1
67.05510	100.0
69.07075	10.2
71.05013	1.4
77.38765	1.1
79.05499	10.2
81.07064	90.4
83.08599	5.5
83.61153	1.2
85.06543	1.6
91.05442	1.7
92.10838	1.2
93.07034	16.1
95.08604	82.4
97.06556	1.9
97.10191	1.8
105.07042	2.6
107.08589	13.5
109.10159	60.6
111.11687	1.4
115.96202	1.4
119.08613	2.7
121.10146	16.8
123.11713	32.2
131.08560	5.6
133.10144	6.4
135.11697	13.2
137.09676	1.5
137.13280	6.6
145.10110	5.9
147.11650	2.5
149.09711	2.0
149.13269	8.0
159.11667	6.4
159.22858	1.2
163.11168	3.0
167.10687	2.2
173.13284	2.8
177.12727	4.8
177.33575	1.2
181.12178	1.8
187.14841	1.7
191.17992	2.5
195.13803	5.2
209.15210	1.5
215.17932	5.6
233.18913	2.0
251.20074	50.2
251.23721	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.10622	2.1
55.01871	5.7
55.05517	22.5
57.03421	2.2
57.05958	1.9
57.07085	100.0
60.06174	2.1
67.05183	3.4
67.05514	70.8
69.07066	15.9
71.04994	4.6
72.95581	2.4
74.58528	2.2
79.05496	22.2
81.06613	4.2
81.07066	88.8
83.04980	2.8
83.08607	11.7
85.06079	3.7
85.06555	86.9
91.05486	25.9
93.07052	36.3
95.04980	3.6
95.08616	67.5
97.06515	3.2
97.10183	14.6
105.07043	12.3
107.08593	29.4
109.06542	4.6
109.10156	51.8
111.08091	3.5
117.06982	4.0
119.08571	5.6
121.06477	3.8
121.10148	25.4
123.08089	3.6
123.11724	19.4
123.12469	2.4
124.55060	2.5
125.09634	18.5
131.08543	6.1
133.10117	43.7
135.08084	5.9
135.11699	22.7
137.09612	6.0
143.57016	2.6
145.10130	9.9
147.11703	4.3
149.09645	5.3
149.13280	10.4
151.11185	10.5
153.12790	4.0
159.11691	4.1
167.14273	5.2
191.17969	5.5
205.19508	3.1
215.17953	5.9
233.15363	3.7
233.18993	15.5
251.10640	5.3
251.16232	11.9
251.20096	92.6
258.37405	2.6
261.15839	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
54.39129	1.2
55.01882	34.9
55.05519	20.4
56.62989	1.2
57.03445	2.4
57.07070	7.4
57.28068	1.2
60.45420	1.2
66.85420	1.2
67.05512	55.0
69.03420	1.9
69.07072	21.8
71.01357	1.8
71.05000	6.5
71.08632	24.8
79.05495	23.9
81.07063	100.0
83.04974	8.4
83.08627	23.6
85.06535	7.0
91.05479	7.8
93.07041	24.2
95.05006	1.6
95.08612	90.5
97.06530	19.1
97.10165	8.1
99.08091	17.8
100.71554	1.5
105.07057	2.6
107.08605	23.0
109.06525	2.1
109.10164	39.1
111.08087	45.4
117.06993	2.1
119.08548	7.2
121.10126	23.0
123.11714	13.2
127.11198	8.3
131.08542	6.9
133.10120	6.8
135.08037	2.4
135.11670	15.0
137.13234	3.3
139.11174	5.2
141.09120	34.3
145.10103	3.1
147.11696	2.4
149.09590	7.0
149.13257	11.0
152.16255	1.6
153.12714	1.5
159.11659	1.9
167.14348	1.7
173.13205	3.1
177.12776	1.3
181.12222	2.5
191.17921	3.0
195.13794	1.7
205.19368	1.5
215.17824	2.0
223.20511	7.1
233.19017	7.6
251.20062	49.7
251.23586	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01645	2.7
55.01883	52.2
55.05524	30.8
57.03439	3.5
57.07076	12.6
59.05020	3.5
61.26413	2.4
62.84425	2.2
67.05512	27.8
69.07074	98.6
71.05013	3.2
71.08629	2.5
79.05495	15.5
81.07050	30.1
82.35897	2.2
83.04985	18.4
83.08630	44.0
85.10135	2.5
93.07055	22.1
95.08619	32.3
97.06526	16.0
97.10179	14.3
107.08606	21.5
109.10169	15.4
111.08072	4.6
121.10143	5.4
123.11743	4.8
135.11705	22.9
136.53419	2.3
139.34285	2.3
149.13254	4.4
152.60382	2.0
153.12755	75.8
181.15851	3.0
192.55914	2.2
226.04440	2.5
233.22598	11.3
251.23659	100.0
262.10416	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.8
55.05516	19.9
57.03199	1.4
57.03448	29.5
57.07085	90.8
59.05025	1.8
60.04186	1.4
67.05509	60.2
69.07081	20.2
70.27740	1.4
71.04984	7.2
76.58237	1.7
79.05489	10.5
81.06618	3.4
81.07065	67.0
83.04988	3.9
83.08624	18.6
85.06533	9.0
85.10176	7.4
87.08098	2.3
92.83891	1.8
93.07049	14.5
95.08611	74.2
97.06507	2.7
97.10177	12.9
107.08591	12.2
107.95535	2.1
109.10157	52.5
113.93305	1.7
121.10130	16.1
123.11676	3.9
125.09635	4.1
127.11194	25.8
135.11700	18.7
137.13245	4.3
137.43571	1.8
149.13229	4.1
155.14304	81.5
167.14326	1.8
169.15874	10.2
169.66753	1.7
181.15921	3.8
183.01163	1.8
183.17447	3.8
206.23718	1.7
233.22606	14.6
248.08830	1.7
251.19844	2.7
251.23686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2367
Annotation	Civetone
Peak:m/z	Relative Intensity
55.01881	52.1
55.05515	32.5
57.07070	7.2
61.33357	3.9
67.05505	30.5
69.07071	75.4
79.05519	4.4
81.07062	35.3
83.04971	21.4
83.08610	47.8
93.07030	26.2
95.08604	46.6
97.06541	10.9
97.10169	10.5
103.71784	4.3
107.08608	10.5
109.10159	8.9
111.08031	6.0
121.10121	11.7
123.11659	6.0
123.65218	4.8
124.41651	5.2
125.09607	25.9
135.11679	9.4
138.45610	4.8
141.38786	4.4
145.96672	6.5
153.12749	54.3
163.97696	19.5
176.11766	5.1
186.99345	8.1
251.23668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2365
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.43035	2.6
55.01879	19.0
55.05511	18.0
55.83386	2.7
57.03432	17.2
57.07087	31.9
66.62614	2.8
67.05515	50.6
69.07066	22.2
69.21004	3.7
71.08623	4.1
79.05490	13.6
81.07059	78.1
83.04989	13.8
83.08633	27.0
85.06551	3.5
85.10192	37.8
90.25391	2.8
93.07017	22.0
95.08595	37.1
97.06539	4.0
97.10158	6.2
107.08559	6.8
109.10159	12.2
111.08086	15.5
113.09628	37.1
121.10138	16.0
123.11690	27.9
135.11696	15.8
141.12717	27.7
149.13219	15.9
151.14825	3.6
167.14330	12.7
169.15883	15.2
233.22603	6.2
251.23663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2367
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
55.01879	34.7
55.05520	28.8
57.03432	6.3
57.07083	6.0
58.36807	2.9
60.47971	3.0
61.26984	3.3
63.25056	3.2
67.05505	36.4
69.07063	69.7
71.08623	4.8
79.05494	14.7
79.45335	3.0
81.07057	52.1
83.05002	14.5
83.08627	43.2
87.55723	4.3
91.05508	5.2
93.07037	27.8
95.08613	54.6
97.06531	8.7
97.07689	3.9
97.10170	16.8
107.08596	23.1
109.10167	22.3
111.08067	4.7
112.17263	3.6
117.07129	4.1
121.10128	16.0
123.11678	6.5
135.11658	30.2
145.96626	6.2
152.66484	4.7
153.12698	55.8
163.97697	16.5
169.15942	13.6
186.99272	5.9
193.14850	3.2
215.08203	3.7
233.15332	4.1
233.22751	5.2
234.13472	3.6
241.10297	4.0
251.16176	16.5
251.19962	7.0
251.21065	5.8
251.23640	100.0
251.31194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2368
Annotation	Civetone
Peak:m/z	Relative Intensity
52.46408	2.3
55.01882	43.6
55.05516	26.3
57.03438	3.2
57.07074	11.4
59.05025	2.8
63.95190	2.4
67.05514	25.8
69.07072	70.4
69.20470	2.6
72.35820	2.9
79.05489	11.6
81.07061	38.8
83.04974	17.1
83.08624	44.1
91.05489	3.9
93.07049	19.7
95.08615	40.4
97.06528	16.8
97.10154	10.5
100.40071	2.9
107.08597	22.1
109.10147	23.0
111.08060	5.4
121.10131	15.4
123.11655	3.2
130.03355	2.9
135.11700	16.5
145.96693	4.4
153.12721	56.1
163.97701	14.2
169.15875	5.1
186.99309	6.5
233.19017	3.0
233.22719	4.6
251.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34572	0.5
53.67828	0.4
56.05033	0.5
57.03429	0.7
65.46826	0.5
70.06612	0.5
72.08128	0.6
72.60641	0.5
76.02231	0.4
79.60940	0.5
84.04523	0.6
84.08155	2.1
85.02908	10.5
86.06061	0.7
86.09655	0.7
86.99002	0.5
87.04469	5.4
88.03986	2.3
90.05541	0.8
96.04440	0.6
99.02666	0.8
102.05530	2.6
113.02358	19.2
113.03155	0.9
117.00074	18.0
121.95770	0.5
122.06051	0.6
127.03915	0.7
131.03404	51.0
137.31790	0.5
142.03241	3.7
143.05725	0.6
144.20674	0.5
144.99547	100.0
149.03406	0.6
163.00589	53.2
166.06093	4.3
170.02701	18.4
170.08142	0.5
173.75203	0.5
177.06609	0.9
188.03777	2.7
188.09221	1.0
190.98813	0.5
198.02209	2.0
206.04829	2.8
206.08072	0.7
211.04434	0.6
216.03285	8.4
216.08759	2.4
217.01691	1.0
223.98981	1.0
234.04378	1.0
234.07637	1.0
234.09692	3.5
235.02676	19.1
252.05339	10.1
252.08824	4.8
252.12178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56266	0.6
55.30554	0.6
59.22235	0.5
59.49773	0.5
62.81998	0.6
68.98367	0.7
80.06821	0.6
91.40288	0.7
99.00833	0.8
121.06530	1.0
123.70024	0.7
136.06194	46.2
137.04634	1.0
148.06174	7.8
162.07753	84.7
188.05664	25.0
188.07007	0.8
192.05168	48.5
192.10175	9.0
206.04958	1.1
206.06741	17.1
206.10129	0.9
234.06165	13.3
252.07259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56266	0.6
55.30554	0.6
59.22235	0.5
59.49773	0.5
62.81998	0.6
68.98367	0.7
80.06821	0.6
91.40288	0.7
99.00833	0.8
121.06530	1.0
123.70024	0.7
136.06194	46.2
137.04634	1.0
148.06174	7.8
162.07753	84.7
188.05664	25.0
188.07007	0.8
192.05168	48.5
192.10175	9.0
206.04958	1.1
206.06741	17.1
206.10129	0.9
234.06165	13.3
252.07259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45038	0.7
56.05043	3.6
60.04526	1.7
60.61074	0.8
69.03427	1.2
70.06599	1.1
72.04504	2.3
74.06067	3.9
80.35017	0.9
85.02897	2.2
86.06064	4.2
87.04470	95.0
88.03947	1.2
90.05561	8.8
90.09173	2.1
91.67151	0.9
97.02905	7.0
97.60553	1.0
102.05552	14.7
104.07080	1.2
106.05040	1.1
107.45711	0.9
114.05527	1.3
116.07066	1.0
119.93710	1.0
122.06036	2.2
126.05521	1.6
127.03943	1.2
127.05721	1.0
128.07021	1.6
130.04947	1.2
137.07059	1.1
142.04982	1.1
143.05745	5.5
149.03458	20.2
152.07100	1.3
156.06519	1.4
161.06889	1.5
166.06114	100.0
168.06512	5.0
170.08096	6.3
188.09192	8.3
193.09720	28.4
206.10225	5.3
213.04584	1.2
216.08670	22.6
226.02283	1.1
234.09694	32.1
235.06960	2.0
252.09763	55.2
252.16928	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	3.2
57.96333	1.1
69.03409	2.2
72.04525	1.8
72.09442	1.3
74.06079	5.6
79.73161	1.3
84.04485	1.8
85.02887	2.7
86.06067	1.8
87.04474	100.0
88.04053	1.4
90.05575	10.0
90.09204	2.3
95.06122	1.6
95.66263	1.3
97.02902	8.1
98.06013	1.8
102.05556	18.7
122.06068	2.3
126.05521	2.0
127.03902	2.6
130.04987	1.8
137.07133	2.6
143.05817	6.0
149.03479	17.5
152.07007	1.7
157.97702	1.5
161.06888	1.6
163.41121	1.3
163.46132	1.3
166.06125	99.6
168.06517	7.3
170.08083	3.3
180.86617	1.4
187.12790	1.4
187.98663	1.7
188.09164	9.7
193.09732	40.6
206.10257	2.7
216.08658	21.0
232.12308	1.4
234.09753	26.7
235.07159	3.2
252.09741	58.0
252.17059	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1075
Annotation	aldehydo-muramic acid
Peak:m/z	Relative Intensity
55.01880	0.9
55.61087	0.8
55.65977	0.7
56.05038	7.4
57.03441	1.1
68.04961	1.1
69.03432	6.0
72.04521	3.7
72.08141	1.2
73.02910	0.8
74.06080	9.3
81.03443	1.0
82.47840	0.9
84.04504	11.1
85.02903	6.5
86.06071	4.1
87.03217	1.1
90.05548	19.6
97.02899	19.2
98.06055	1.8
99.04469	3.5
102.04863	1.6
102.05541	46.6
102.09200	1.0
103.10662	0.8
109.02927	0.8
110.06036	1.8
111.04448	1.2
112.03971	5.9
114.05522	1.2
114.09178	1.1
116.07053	1.5
120.02619	1.1
121.06525	1.0
122.06034	4.9
126.05507	9.9
126.54018	1.0
127.03931	10.1
128.07074	2.2
132.06596	1.7
133.03467	2.3
138.05486	2.1
140.07089	1.6
141.07848	5.3
143.05762	10.0
144.06523	1.1
145.04962	1.7
152.07059	1.7
156.06589	7.6
161.06764	3.5
168.06572	16.0
170.08134	10.9
171.04160	1.7
174.07588	6.4
187.04504	0.9
188.09198	17.8
193.09732	5.1
198.07663	2.2
206.10254	3.3
216.08667	63.0
216.12108	3.1
234.04657	4.2
234.09695	100.0
234.13107	7.5
252.05835	1.5
252.10605	9.4
252.14534	1.9
252.16896	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	7.5
64.48654	1.0
69.03416	5.2
70.06602	1.5
72.04505	1.0
72.08128	1.4
73.02928	2.6
74.06071	14.7
75.04451	1.1
75.63300	0.9
81.03407	1.5
84.04501	8.6
85.02906	9.0
86.06069	12.6
87.04463	9.5
90.05548	19.8
96.04462	1.4
97.02886	15.6
98.06013	1.6
99.04466	2.0
102.04861	1.7
102.05539	46.1
104.07109	1.4
109.02859	1.5
110.06041	1.2
111.04423	8.8
112.03954	4.6
114.05501	1.9
116.07098	1.6
122.06010	6.1
126.05460	8.2
127.03901	6.6
128.02341	1.7
128.07057	2.5
132.06561	1.6
138.02159	1.1
140.07016	9.1
141.07841	42.4
143.05772	10.4
144.06578	1.5
145.04922	2.1
149.01181	1.3
152.07066	1.8
154.97952	1.4
156.06534	4.8
161.06825	4.3
161.94644	1.3
166.06146	6.5
168.06531	12.3
170.08095	11.5
171.04056	2.2
174.07570	1.6
188.09161	19.6
193.09686	10.7
195.66547	1.1
198.07597	2.6
206.10387	2.1
216.08662	81.5
216.10474	3.8
234.09691	100.0
234.13443	2.6
252.08751	1.3
252.10715	22.8
252.16795	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1089
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
51.16379	0.2
51.60764	0.2
52.03383	0.2
57.03437	0.3
69.03417	0.3
71.04990	0.4
73.02914	0.9
78.49903	0.2
81.03415	0.2
86.09679	0.2
99.04445	2.0
99.75625	0.2
101.87866	0.2
106.28602	0.2
117.05482	4.1
136.06184	100.0
160.11647	0.2
197.95865	0.2
252.10892	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	7.3
60.04509	1.0
69.03406	2.6
72.04480	1.7
73.72167	1.1
73.84078	1.1
74.06059	7.5
84.04488	2.2
84.08118	1.8
85.02873	7.7
86.06049	5.1
87.04471	100.0
90.05560	17.2
92.33409	1.1
97.02891	15.5
99.04442	2.2
102.05546	41.2
106.05080	1.4
112.03927	4.9
116.06984	1.4
122.05992	7.3
126.05492	2.6
127.03860	8.1
128.07076	4.7
130.04984	2.8
132.06578	2.0
139.04907	1.6
143.05791	11.9
149.03497	16.5
152.07004	2.8
156.06432	1.7
161.06802	4.9
166.06114	94.4
168.06548	13.5
168.08330	1.3
170.08116	13.8
188.09177	23.5
193.09741	1.6
206.10185	2.5
216.08649	48.6
216.10527	2.8
234.07452	2.8
234.09712	64.7
235.07030	2.8
235.58246	1.3
252.09726	61.2
252.14102	2.2
252.16920	2.0
253.33174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	3097C2
Peak:m/z	Relative Intensity
87.04492	1.1
115.05421	0.9
137.05952	1.3
143.04884	2.1
145.06493	3.6
151.06352	0.9
151.07513	3.3
161.05988	7.8
162.06743	5.8
163.07568	1.4
167.07011	3.4
171.04437	1.4
175.07512	12.7
177.07751	2.1
177.09138	3.7
178.08742	1.3
179.07048	1.2
189.09175	0.9
192.10187	100.0
203.07037	3.9
208.13405	2.0
209.08127	3.5
221.08211	1.5
226.23692	0.9
234.07634	1.2
234.11163	3.9
235.05751	6.6
240.44888	1.0
252.08531	8.4
252.12302	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47336	0.8
53.03950	1.8
55.05511	0.9
56.96553	1.0
57.07075	1.6
63.61309	0.8
67.05512	8.6
68.53220	0.7
69.07065	6.0
73.02917	1.6
79.05499	8.5
81.03405	1.8
81.07066	15.4
91.05482	10.6
93.07037	11.4
95.04962	2.3
95.08607	11.3
97.02893	9.9
97.06529	1.5
97.12120	1.0
105.07027	14.4
107.04945	4.7
107.08611	8.3
109.02883	85.1
109.06548	1.3
109.10155	4.3
111.04455	1.3
119.04957	6.7
119.08569	35.7
121.06467	4.1
121.10149	12.4
123.04438	4.4
123.08011	1.8
123.11722	9.8
125.06004	2.5
129.06995	3.9
133.06487	27.2
133.10129	10.7
135.08049	4.3
135.11691	1.8
137.05997	6.7
137.09624	2.4
139.07571	3.7
143.08572	2.4
145.10112	2.4
147.08063	13.9
147.11684	7.1
151.07526	5.2
161.09613	1.6
161.13246	57.5
165.09105	1.8
171.11691	11.5
179.14319	2.4
189.12738	21.6
193.51898	1.1
197.05424	1.2
205.98787	1.9
207.13817	9.6
217.19585	1.2
235.13200	9.9
252.16020	11.6
252.18326	1.0
253.14322	100.0
272.18860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78166	0.7
55.05510	1.8
55.53662	0.8
57.19417	0.8
60.22549	0.7
60.68364	0.8
69.07054	3.6
71.96760	0.9
72.08154	1.8
86.09686	0.9
91.05433	0.8
97.07044	1.0
97.26625	0.9
98.95105	0.9
102.86281	1.0
105.07028	1.5
107.27370	0.7
111.70567	0.8
115.72530	0.8
117.06995	6.7
118.06675	1.0
123.04435	1.2
131.04915	1.3
132.07132	1.9
132.08084	40.5
137.05981	9.9
137.72623	0.9
143.04860	1.5
145.06488	26.2
146.05998	5.6
147.04370	1.2
149.05977	11.2
161.05952	19.9
163.06187	2.1
163.07532	48.6
164.07053	54.7
171.11644	1.5
174.09138	5.5
175.07518	9.6
178.08665	7.5
180.10182	38.9
199.11063	3.1
206.11755	26.9
217.12227	17.8
234.14876	26.8
236.61427	0.9
252.12286	6.7
252.15918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
55.07644	0.5
56.00596	0.5
57.07060	0.7
69.07083	4.4
72.08138	3.9
73.82191	0.6
86.09731	1.9
91.05470	0.9
96.78047	0.7
107.08523	0.6
117.07001	6.9
118.06554	1.1
121.06496	16.4
123.04396	1.1
131.04890	0.9
137.05989	10.8
142.56863	0.6
143.04927	0.9
145.06488	27.2
146.06000	5.7
147.04440	0.8
149.05971	12.4
151.07521	2.8
157.06500	0.9
161.05959	20.2
163.07535	51.5
164.07050	56.0
171.11578	1.1
175.07538	13.1
177.07828	1.3
180.10187	44.9
189.09070	1.1
192.13850	1.4
196.49818	0.6
199.11185	3.2
217.12253	16.0
234.14862	28.2
235.13219	0.9
252.15900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
69.07066	2.5
72.08163	2.6
85.19758	1.0
86.09686	1.7
113.64832	1.0
117.07030	7.7
117.19804	1.1
118.06503	1.9
121.06513	4.1
123.04435	1.3
137.05992	9.0
145.05339	1.2
145.06488	30.6
146.06058	2.0
147.04405	1.3
147.11539	1.0
149.05946	11.0
151.07590	0.9
161.05978	19.8
163.06207	2.5
163.07529	52.7
164.07063	63.0
175.07509	10.0
177.07858	1.4
180.10193	45.2
189.09093	2.3
199.11118	1.8
217.12228	17.7
234.14906	30.7
252.07547	2.4
252.15892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92279	1.6
55.01864	1.6
55.05511	3.7
55.18184	1.7
56.96562	1.7
61.74648	1.5
61.81015	1.7
67.05508	29.0
69.07059	8.8
79.05500	24.2
81.07067	27.2
83.08616	11.2
85.06547	4.7
91.05495	24.8
93.07047	45.8
95.04967	1.9
95.08606	24.5
97.06530	19.4
97.10149	2.8
97.97167	1.7
100.04606	2.0
105.07028	9.5
107.08601	28.7
109.10145	15.4
111.08084	26.2
117.07005	8.2
119.08578	31.4
121.10146	46.4
123.08067	17.1
123.11661	3.2
125.06036	14.2
125.09613	3.5
131.08542	11.5
133.10124	43.2
133.11040	3.3
135.08011	16.5
135.11707	10.0
135.22119	1.8
137.09627	36.9
139.07526	2.9
147.11745	3.0
151.11186	8.3
157.10123	2.8
161.13147	2.0
171.11694	3.5
175.14824	3.9
189.16365	22.2
199.14828	28.5
205.98788	2.5
207.17522	2.0
217.15889	31.1
229.07536	2.6
234.18468	2.8
235.16922	100.0
252.07552	1.9
252.19557	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2319
Annotation	dodeca-2E,4E-dienoic acid isobutylamide
Peak:m/z	Relative Intensity
55.05306	2.5
55.05521	33.7
57.07076	15.8
57.09245	2.6
58.75311	2.2
67.05505	52.6
69.07072	64.4
71.08626	6.0
79.05497	11.8
81.07057	84.5
83.04980	5.0
83.08620	41.9
84.08192	2.9
85.10183	3.8
86.06078	6.7
91.05470	6.0
93.07019	18.9
95.08614	90.1
97.06516	11.8
97.10168	37.9
99.08067	5.2
100.07607	13.0
105.07019	12.5
107.08598	11.5
109.06536	3.1
109.10159	47.9
109.47539	2.9
111.08073	6.0
111.11716	6.1
114.09156	15.1
119.08566	21.4
121.10158	19.8
123.11708	36.8
125.09665	5.6
126.09171	3.3
128.10701	6.5
133.10114	30.9
135.11696	23.1
137.09669	3.7
137.12318	2.6
137.13258	31.3
139.11183	4.8
142.12198	3.4
145.96666	3.6
147.11674	24.6
149.13303	3.9
151.11153	4.1
151.14789	23.6
152.27330	2.8
153.12808	3.9
154.87219	2.5
156.13698	3.8
161.13251	18.4
163.97708	4.8
165.12630	3.7
175.14804	5.8
187.97649	4.4
189.16402	4.2
191.18069	3.7
193.15947	3.3
193.19429	3.0
205.98711	24.1
217.19518	76.3
229.00385	5.7
229.07541	6.6
235.20563	75.2
240.67799	3.8
247.08356	3.7
252.12495	2.8
252.23178	100.0
252.25656	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.4
55.05519	36.0
56.96550	3.4
57.07093	17.0
61.01645	2.0
62.95949	2.5
67.05509	58.5
69.07072	56.1
70.06601	3.9
71.08635	11.1
78.28379	2.1
79.05495	13.1
81.06614	4.7
81.07064	91.8
83.08629	42.7
84.08155	10.0
85.10168	2.9
86.06053	6.1
91.05479	13.9
93.07043	17.3
95.04978	3.3
95.08608	100.0
97.06533	5.5
97.10168	29.1
98.09764	2.7
99.08089	3.4
100.07633	15.8
105.07045	11.2
107.08615	20.6
109.06556	4.1
109.10158	49.5
111.08107	5.1
111.11704	4.4
113.09607	3.1
113.27060	2.6
114.09167	4.6
119.08598	16.8
119.58074	2.5
121.10135	22.6
123.08078	8.4
123.11733	31.7
125.09643	5.5
126.09144	3.5
128.10709	5.7
133.10147	29.3
135.11658	21.3
137.09656	4.0
137.13252	25.1
139.11220	3.8
140.10701	4.2
142.12306	3.6
147.11650	18.4
149.13228	10.6
151.11150	3.5
151.14799	14.8
156.56247	2.4
161.13266	19.1
165.12721	2.7
168.13794	2.9
170.15404	4.1
175.14801	4.3
191.17957	9.3
193.19518	5.9
205.98717	3.3
217.19502	58.3
235.20581	49.9
247.73297	2.4
252.23212	65.2
273.52228	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00841	4.9
55.05520	44.9
56.96582	7.1
57.07079	26.7
67.05510	64.2
69.07081	62.8
69.85334	5.0
71.08627	8.0
78.53202	4.4
79.05505	7.7
81.07064	100.0
82.07418	5.6
83.04982	9.5
83.08637	57.2
84.08167	5.1
86.06053	7.6
91.05476	12.3
93.07049	29.2
94.26658	4.3
95.08605	99.3
97.06532	6.7
97.10159	27.6
99.08105	6.0
100.07608	9.7
105.07048	18.9
107.08614	11.6
109.10161	59.4
111.11731	6.6
112.07641	5.0
114.09120	16.2
119.08568	21.2
121.10123	19.3
123.08060	11.7
123.11688	24.0
133.10118	35.8
135.11722	24.6
137.13251	21.5
140.10674	4.9
147.11714	27.9
151.11139	6.3
151.14873	7.4
153.12775	7.6
161.13283	11.3
163.97748	6.0
205.98825	23.2
217.19487	66.1
229.15544	5.3
232.13339	5.5
235.20555	65.2
237.85550	5.3
252.20670	10.1
252.23137	64.7
260.81793	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.232
Annotation	dodeca-2E,4E-dienoic acid isobutylamide
Peak:m/z	Relative Intensity
53.50763	3.7
55.05512	28.9
56.24596	3.9
56.96576	18.4
56.96883	3.6
57.07058	16.1
60.22644	4.1
62.36831	3.6
65.37103	4.1
67.05517	45.4
69.07080	63.4
70.06596	4.8
75.68067	4.5
76.15846	4.3
79.05498	6.6
81.07068	68.3
83.08632	44.0
84.08154	8.3
85.10176	5.3
86.06078	6.2
91.05468	7.2
93.07036	16.9
95.08611	100.0
97.06503	6.8
97.10182	23.0
100.07616	16.2
105.07047	9.0
107.08614	16.0
109.10174	44.7
111.11776	5.4
119.08587	19.3
121.10163	10.2
123.08063	7.1
123.11715	19.8
133.10141	21.0
135.11731	8.6
137.13254	17.9
147.11682	19.2
149.13307	5.1
151.11172	5.2
151.14842	16.4
161.13281	15.9
163.97792	5.6
164.66003	4.5
175.14761	5.1
193.19469	4.8
205.98749	17.5
217.19536	51.0
223.89919	4.2
229.00266	4.8
232.94086	4.6
235.20520	44.3
252.23207	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2321
Annotation	dodeca-2E,4E-dienoic acid isobutylamide
Peak:m/z	Relative Intensity
55.05524	37.2
56.05036	2.4
57.07082	19.4
67.05508	58.4
67.07473	2.3
69.07072	64.0
70.06598	4.3
70.16759	2.1
71.08626	4.9
79.05500	13.8
81.07065	95.2
83.08624	51.7
84.08156	3.0
85.06536	3.4
85.10198	3.4
85.68147	2.2
86.06055	10.7
91.05478	16.0
93.07049	23.1
95.08000	3.5
95.08610	100.0
97.06551	12.7
97.10175	29.7
97.99171	2.6
99.08104	4.8
100.07639	17.3
105.07022	14.9
107.08587	20.1
109.06586	2.4
109.10168	60.1
111.08078	9.6
111.11720	5.6
113.09644	3.0
114.09163	16.2
119.08566	24.5
121.10141	16.9
123.08089	3.2
123.11724	26.1
126.09136	4.2
128.10744	5.8
133.10109	33.0
135.11708	19.5
137.09642	4.8
137.13274	22.6
139.11189	3.3
142.12282	2.8
147.11693	22.5
149.13246	5.4
151.11227	3.2
151.14801	18.1
153.12726	2.5
161.13191	20.6
175.14758	5.6
191.17969	3.8
193.19408	3.0
205.98784	14.0
217.17502	2.6
217.19508	64.5
229.34393	2.4
235.20554	54.6
238.80389	2.6
252.23212	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	31.0
56.96555	5.8
57.07079	12.3
67.05516	53.5
67.05820	6.3
69.06808	4.2
69.07077	68.1
69.12147	4.5
71.08636	7.6
79.05484	5.7
81.07059	100.0
83.08624	49.3
85.06496	4.7
85.10255	4.8
86.06059	5.4
91.05453	11.7
92.75205	5.1
93.07043	9.2
95.08608	82.6
97.06519	9.4
97.10181	32.5
100.07609	9.1
105.07039	11.4
107.08636	6.2
109.10168	54.3
111.08082	9.7
111.11732	11.0
114.09184	12.2
118.61076	4.8
119.08565	11.4
121.10146	32.3
123.11717	19.9
128.10669	6.2
133.10139	22.7
135.11687	24.9
137.13237	25.6
145.96663	6.4
147.11693	24.8
151.14798	10.3
161.13284	8.4
163.97783	6.9
171.43570	4.4
193.15868	5.8
205.98782	29.7
217.19507	74.5
235.20473	65.8
252.23138	92.9
257.10989	4.6
272.17044	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72394	2.9
51.55304	2.7
52.66849	2.9
55.05521	36.3
56.04621	3.0
57.07066	7.8
67.05508	55.6
68.86384	3.1
69.07066	61.8
70.06574	4.1
71.08639	8.2
72.08157	3.7
72.57743	3.2
76.72128	3.4
79.05507	14.8
81.07056	79.6
83.08632	33.1
85.10190	5.8
86.06068	4.2
86.38925	3.3
91.05470	6.5
93.07050	16.3
95.08601	100.0
97.06525	7.3
97.10155	22.4
97.29655	3.8
100.07627	8.4
105.07018	7.2
107.08609	19.9
109.10136	53.2
111.08062	5.5
111.11722	5.7
112.36127	3.2
114.09167	7.5
119.08572	20.4
121.10147	13.0
123.08028	5.3
123.11710	25.9
133.10123	22.7
134.46770	3.7
135.11676	15.0
137.09625	8.0
137.13252	21.1
145.33975	3.5
147.11650	15.1
149.13210	5.5
151.14819	8.1
161.13254	8.0
175.14781	6.0
177.16228	5.1
189.16235	4.4
191.17874	4.3
193.19498	5.7
205.98686	7.0
213.34845	3.8
217.19511	58.2
235.20514	51.5
252.23140	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96740	2.3
55.05524	29.1
57.07071	14.7
57.45116	2.4
67.05506	50.6
67.26570	2.3
69.07069	69.7
70.06590	3.3
71.08640	5.1
72.08159	2.9
79.05503	10.7
81.07067	79.3
83.04960	2.7
83.08620	48.7
85.10199	3.1
86.06079	11.6
91.05463	3.9
93.07050	20.0
95.08604	81.0
97.06524	18.1
97.10166	42.0
99.08112	2.9
100.07616	16.3
105.07059	12.2
107.08594	16.7
109.10158	47.5
111.08094	13.5
111.11710	4.8
114.09175	17.2
119.08610	18.9
121.10151	24.4
123.08101	3.7
123.11697	25.7
125.09612	10.4
128.10713	10.5
133.10071	20.7
134.62181	2.7
135.11697	23.6
137.09654	3.6
137.13245	28.3
139.11180	12.1
142.12277	11.1
147.11635	22.6
149.13202	3.6
151.14816	12.7
153.12665	3.2
154.25435	2.6
156.13803	4.4
161.13280	15.7
163.14883	2.9
167.14328	2.7
175.14970	2.7
177.16264	3.0
191.17964	6.1
193.19543	4.1
200.12878	3.1
205.98795	14.1
217.19534	76.9
229.00270	2.8
235.20558	87.8
252.20590	4.1
252.23169	100.0
252.25662	4.5
262.51080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.2
87.04482	59.5
88.04803	16.4
110.07101	8.4
119.01925	9.2
125.77768	6.3
125.85253	6.4
154.03638	7.1
166.06148	14.9
167.06398	31.2
169.08672	9.3
182.00616	21.2
184.04562	25.5
189.01883	10.5
202.05551	10.8
209.01735	13.3
210.00110	13.8
217.10727	8.7
228.01202	14.2
230.05008	11.0
244.55276	7.4
252.96957	23.3
253.00798	66.1
253.05829	100.0
253.10139	28.6
271.73004	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22223	1.0
53.23928	1.0
54.15014	1.0
55.01858	1.2
55.05516	9.5
56.74941	1.0
57.03442	5.5
59.93085	1.2
61.02916	6.3
62.95181	1.4
68.07820	1.0
69.03432	14.7
71.04960	1.5
73.02904	2.1
73.06555	52.1
75.11329	1.1
77.15118	1.1
79.36021	1.0
81.03414	7.3
85.02907	100.0
87.04490	2.2
91.03946	2.0
96.27009	1.3
97.02875	16.8
99.04457	4.9
109.02885	10.7
120.08094	2.6
127.03918	18.9
132.03694	2.7
144.99530	1.9
145.04951	17.8
145.99881	2.5
150.05493	38.8
163.00584	1.9
163.06009	5.1
164.00899	1.6
171.03030	1.5
193.67656	1.2
236.03267	1.4
253.08267	3.0
253.12128	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84835	0.9
55.05503	1.0
55.61807	1.0
57.82001	1.0
67.05527	1.8
69.07034	1.2
78.39077	1.2
79.05494	1.5
81.07050	5.7
86.11578	1.1
91.05482	8.5
92.20969	1.8
93.07028	2.3
95.08593	7.2
105.07031	17.3
107.08578	2.0
109.10155	4.7
117.07001	5.0
119.08575	47.0
121.10182	1.3
121.88799	1.4
129.06940	1.3
131.08551	16.0
133.10132	2.5
135.11681	1.2
143.07542	1.9
143.08559	33.9
145.10164	2.0
147.07971	1.3
155.08549	7.7
156.09392	2.6
157.10124	13.7
165.06863	1.4
168.09271	1.3
169.10112	9.1
170.10912	1.6
171.11703	2.2
179.08585	2.0
181.10107	4.7
183.11702	5.3
194.10863	2.1
195.11641	14.0
196.12434	6.1
197.13287	2.6
207.11722	1.4
209.13260	6.8
210.13951	6.9
211.11153	6.3
211.14847	7.0
220.12553	2.3
235.14832	6.2
238.13504	4.6
253.15842	100.0
253.19565	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
51.16571	1.5
51.24939	1.3
54.36750	1.6
55.01879	2.5
55.05524	7.8
55.70960	1.6
57.03434	7.7
57.07085	2.7
59.05001	4.1
62.33047	1.5
65.09483	1.9
67.05518	22.9
69.03438	8.9
69.07076	21.6
71.04991	2.8
75.04485	10.4
79.05502	20.8
81.07066	100.0
83.04981	6.9
83.08632	2.4
85.02910	22.6
85.06531	7.8
87.04461	7.8
91.05482	10.9
93.07049	25.9
95.04971	9.0
95.08613	29.6
97.06538	48.4
99.04453	3.5
99.08092	3.7
99.59239	1.9
105.07043	30.5
107.07999	2.4
107.08600	30.1
109.06518	8.7
109.10152	27.8
111.08074	3.1
113.05970	2.0
115.07610	6.2
117.07053	2.4
119.08587	20.6
121.06518	2.7
121.10169	20.4
123.08059	4.1
123.11710	9.7
125.06001	11.8
125.09619	2.3
126.11371	1.8
127.07550	2.1
128.54738	1.6
131.08574	8.8
133.10136	29.2
135.11685	29.4
137.09619	9.0
139.11295	1.9
141.09122	2.5
142.07863	2.3
143.08574	9.0
145.10153	8.1
147.11708	19.7
149.09653	4.0
149.13249	18.6
151.11191	7.4
157.10143	7.3
159.11655	14.4
161.13216	11.8
165.06918	2.0
171.11646	7.0
173.13216	3.1
175.11188	4.3
175.14836	3.5
177.12724	8.4
179.07097	2.5
179.14339	3.0
199.14848	4.3
217.15916	9.8
221.06071	2.5
225.09052	2.8
235.13214	2.7
235.16931	7.2
235.20572	1.9
245.57220	2.1
253.08582	16.5
253.12180	2.1
253.14182	2.3
253.18001	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01878	1.8
55.05523	17.3
55.88652	0.9
56.81321	1.0
57.03441	1.8
57.07092	1.1
67.05513	61.3
69.07072	20.7
71.04996	5.0
76.10281	1.1
77.03935	1.2
79.05499	88.8
81.03407	1.9
81.07063	74.9
81.07552	2.8
83.04964	8.1
83.08630	12.8
85.06541	2.9
90.49762	1.2
91.05479	63.3
93.07046	100.0
95.04960	11.2
95.08611	58.0
97.06528	8.6
97.10175	5.4
98.79923	1.1
99.08094	1.8
99.96783	1.1
105.07038	33.1
107.04943	1.7
107.08598	58.8
109.06526	5.6
109.10157	18.8
111.08105	5.1
113.09638	1.3
117.07013	21.1
119.08582	36.4
121.06480	5.3
121.10139	65.0
123.08053	7.3
123.11666	1.9
129.07001	9.3
131.08553	27.4
133.10129	34.4
135.08051	10.2
135.11682	13.8
137.09630	9.5
143.08531	10.9
145.10110	10.2
147.11676	12.2
149.09651	5.6
149.13182	1.3
151.11143	1.7
157.10123	13.8
161.13184	2.0
163.15074	1.2
170.81734	1.3
171.11726	8.7
173.13277	12.5
175.14836	7.7
179.99109	1.4
189.12700	2.9
189.16429	13.5
191.14259	1.5
193.12364	1.3
197.13225	1.8
199.14758	15.3
207.17387	2.4
217.15868	11.1
221.06010	1.8
235.16927	24.3
253.08702	4.3
253.19502	7.3
268.82272	1.3
270.55783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03957	2.6
54.27393	1.6
55.05524	22.5
59.22447	1.6
65.15343	1.8
67.05180	3.6
67.05511	62.4
69.07069	20.3
71.04992	3.2
75.16394	2.2
79.05499	75.2
81.03435	5.0
81.07063	84.0
83.04970	4.8
83.08628	14.0
85.06535	9.0
87.98267	1.9
91.05480	58.4
93.07046	100.0
95.04970	11.7
95.08604	68.0
97.06549	8.7
97.10153	4.2
105.07037	35.9
107.04947	2.9
107.08600	65.9
107.09292	2.7
109.06534	3.2
109.10146	18.3
111.08102	2.5
117.07028	16.0
119.08582	37.3
120.69276	2.1
121.10133	66.0
123.08059	8.4
123.11688	3.7
129.07008	4.3
131.08565	36.6
133.10130	32.0
135.08054	8.3
135.11707	13.2
137.09650	5.3
143.08582	5.2
145.10170	11.2
147.11705	10.7
149.09660	7.4
151.11200	9.1
153.09155	3.8
157.10115	11.4
171.11729	4.3
173.13260	11.5
175.14769	4.9
189.16403	10.9
197.13150	3.1
199.14902	18.0
207.17657	2.6
217.15912	12.6
235.16852	19.2
253.08543	10.7
253.14043	8.5
253.19757	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01876	2.0
55.05514	15.6
57.03438	4.3
65.03941	1.8
67.05508	60.8
69.03410	1.3
69.07070	18.8
71.04994	2.2
72.92021	1.0
73.04813	1.1
78.94939	0.9
79.05495	75.5
80.62614	1.0
81.03430	4.4
81.07061	71.9
83.04973	5.1
83.08607	12.4
85.06528	4.8
91.05479	54.9
93.07043	100.0
95.04944	11.2
95.08610	57.5
97.06541	10.3
97.10148	7.7
99.08083	1.9
101.06035	1.1
105.04478	1.4
105.07026	31.4
107.04942	2.3
107.08590	56.1
109.06506	7.1
109.10139	15.4
111.08063	6.2
115.39088	1.1
117.07017	18.3
119.08569	33.6
121.06521	4.7
121.10133	66.0
123.08077	5.0
123.11671	1.7
125.09637	1.5
129.07028	8.3
131.08549	32.5
133.10123	34.7
135.08052	9.5
135.11703	15.1
137.09592	8.3
143.08568	10.9
145.10120	7.0
147.11664	9.8
149.09651	2.3
151.11183	2.2
157.10124	12.9
159.11710	1.4
161.13257	2.1
169.10020	1.7
171.11676	8.6
173.13261	13.0
175.14815	5.3
189.16403	10.6
191.14273	1.9
197.11392	1.2
197.13152	1.9
199.14847	14.0
207.17450	2.4
217.15791	9.5
235.16916	22.0
242.78586	1.3
253.17828	6.9
253.19942	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14497	0.8
54.97424	0.5
55.05516	0.9
57.05756	0.5
67.05502	1.7
67.25823	0.9
68.34729	0.7
69.07036	1.1
76.61117	0.6
81.07066	5.7
91.05481	2.9
93.07037	2.8
95.08598	4.7
105.07021	5.7
107.08592	3.5
109.10130	3.9
119.08559	3.9
121.10118	1.4
123.11697	1.0
129.07043	2.6
131.08585	3.6
133.10097	3.0
135.11745	1.3
141.06967	1.0
143.08606	5.8
145.10127	4.8
147.11729	1.0
155.08554	3.0
157.10110	12.2
159.11700	5.6
168.05849	0.8
169.10089	4.2
171.11679	11.3
173.13243	2.5
183.11694	5.5
185.13257	3.3
197.13246	16.9
211.14853	8.7
224.15479	0.9
225.16237	1.2
238.17102	0.9
253.08644	4.6
253.15968	4.2
253.19493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22395	0.5
55.05507	1.5
67.05499	4.0
69.07058	1.4
79.05473	1.7
81.07061	4.4
83.08624	1.3
84.31126	0.6
84.75541	0.7
86.02426	0.8
91.05487	3.7
93.07040	4.2
95.08600	4.6
95.93231	0.6
97.06485	0.6
105.07022	7.5
107.08591	4.4
109.02879	0.8
109.10164	2.8
117.07015	0.8
119.08543	4.3
121.10138	1.2
129.07034	1.0
131.08565	3.5
133.10049	2.6
135.11714	0.9
137.06018	1.4
141.07013	1.3
143.08556	5.7
145.10139	8.4
147.11682	4.3
151.07523	4.2
155.08563	4.1
157.10141	8.1
159.11708	7.8
161.13268	1.3
169.10126	2.9
171.11703	7.9
173.13271	2.9
183.11711	7.6
185.13307	3.4
185.73225	0.7
193.12308	2.7
197.13248	19.1
198.14043	1.1
199.14832	1.0
211.14824	6.8
225.16463	2.7
238.17165	3.1
253.19499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2159
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.00301	2.0
55.05519	50.6
56.99149	1.8
57.07078	31.1
66.60754	1.4
67.05509	30.1
69.07071	100.0
71.04993	2.7
71.08632	17.5
75.13615	1.5
79.05495	10.1
81.07059	52.4
83.04950	5.9
83.08623	45.8
85.06535	15.7
85.10189	3.6
91.05473	13.6
93.07042	20.9
95.08601	69.3
97.06532	9.2
97.10174	38.8
99.04442	1.6
99.08091	12.7
105.07051	14.5
107.08595	19.7
109.06483	2.5
109.10148	36.5
111.08077	2.5
111.11732	18.1
119.08578	25.1
121.10149	25.5
123.08044	3.4
123.11697	20.0
125.09613	2.9
125.13231	6.5
127.07599	3.2
133.10138	25.0
135.11699	17.8
137.09613	7.7
137.13260	10.1
139.11174	3.4
147.11687	21.0
148.12204	1.8
149.13261	3.6
151.11165	8.2
151.14867	3.5
153.12749	1.9
159.11659	3.3
161.13243	14.9
165.12727	8.2
175.14801	6.8
179.14273	9.2
188.88742	1.6
191.17934	4.0
193.15843	1.9
193.19527	6.2
217.15958	3.6
217.19511	22.3
218.19843	2.6
218.66432	1.6
235.16922	2.8
235.20583	9.3
238.09773	1.7
253.21506	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
51.24431	2.1
55.05527	40.7
57.07082	32.5
57.84600	2.5
67.05515	46.3
69.07073	100.0
71.04992	5.9
71.08273	3.7
71.08638	61.6
79.05498	12.2
81.07063	70.3
83.04967	3.1
83.08626	62.0
85.06564	21.4
85.10175	3.3
91.05472	11.3
93.07040	26.9
95.08612	61.1
97.06523	13.0
97.10187	40.5
99.04520	2.4
99.08076	35.6
102.52536	2.7
105.07034	12.9
107.08589	12.7
109.10139	40.2
109.66772	2.9
109.86956	2.3
111.08076	2.6
111.11730	20.3
113.09684	4.2
119.08579	15.6
121.10137	26.0
123.11720	23.8
125.13319	3.4
133.10101	21.8
135.11678	15.8
137.09569	3.3
137.13261	15.0
139.11185	2.8
145.16754	2.7
147.11697	17.3
151.11194	5.9
151.14914	3.9
161.13243	17.2
164.43887	2.7
165.12723	5.1
169.10046	2.7
175.14861	3.3
179.07019	2.5
179.08591	2.8
179.14285	6.4
189.16446	3.2
208.16971	4.2
217.19550	26.9
235.20587	23.2
236.16476	13.2
253.08702	2.7
253.12196	6.3
253.21552	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.2
57.07082	100.0
63.29407	2.3
63.59277	2.4
67.05525	18.3
67.61815	2.3
67.96700	2.1
69.07074	20.0
71.08640	31.7
81.07066	38.1
83.08624	18.1
85.06567	2.2
85.10197	23.1
92.28572	2.6
95.08606	29.9
97.10176	10.3
102.30126	2.3
109.10162	27.7
111.01429	2.5
113.09621	13.5
123.11713	10.9
127.11199	25.3
127.11999	3.3
137.13235	4.0
141.12741	12.0
155.14349	2.6
165.16405	2.9
191.90453	2.4
196.61285	2.6
235.24190	9.4
253.08603	3.1
253.22986	3.1
253.25201	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88501	3.5
55.05512	18.0
57.07082	71.8
67.05499	29.6
69.07069	28.0
70.07404	4.2
71.08630	100.0
81.07063	71.2
83.08614	22.5
84.08955	6.1
85.10175	28.6
85.87827	3.6
90.33698	3.7
95.08614	70.1
96.08913	4.1
97.10155	7.1
109.10160	43.1
111.42636	4.1
123.11707	19.3
129.45499	3.9
130.98828	3.7
141.12691	20.8
155.14302	28.9
164.27931	4.1
206.98421	4.6
218.19867	6.2
236.20943	5.8
253.25500	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2522
Annotation	Civetol
Peak:m/z	Relative Intensity
50.66407	1.5
52.24993	1.6
53.00298	2.2
55.05513	18.0
57.07082	84.5
59.05008	3.4
66.60773	2.0
67.05511	28.4
69.07074	22.2
70.07372	2.3
70.07980	2.2
71.08636	100.0
81.07063	59.9
83.08626	19.7
85.06543	2.1
85.10185	29.4
93.07069	2.8
95.08611	73.4
96.08949	2.2
97.10191	15.7
109.10157	29.6
123.11683	25.7
133.10039	2.3
136.31340	1.7
137.13254	10.9
139.09270	2.1
140.49475	2.2
141.12724	24.8
147.36980	1.9
155.14316	26.2
183.17586	1.8
211.56062	2.5
218.19873	9.8
227.88921	2.3
235.24216	7.8
236.20859	7.6
253.25291	47.3
268.56876	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.9
53.07468	1.3
55.05515	9.6
57.07081	100.0
67.05504	24.4
69.07063	22.4
71.05872	1.5
71.08627	18.0
81.07065	26.2
83.08638	15.3
85.06532	2.7
85.10186	23.6
87.08066	1.7
95.08611	34.6
97.10171	10.8
99.08089	3.6
104.72193	1.6
107.08562	2.0
109.10143	22.9
110.06048	2.4
110.38593	1.6
111.11669	1.8
113.09644	18.7
123.11681	10.3
127.11204	24.9
137.13243	7.3
151.14839	2.3
191.89610	2.2
202.12816	1.8
206.98860	2.7
208.16859	2.7
208.71169	1.9
222.29755	1.8
235.24156	10.0
236.16464	11.7
253.19417	3.8
253.25304	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44398	0.5
77.03941	0.6
84.08147	0.7
87.04450	4.1
93.27635	0.6
102.17278	0.6
109.07601	0.8
112.08736	0.6
119.08604	0.6
122.05964	0.8
124.07488	0.6
131.04898	2.5
133.06490	0.7
147.02658	1.2
147.08098	0.8
153.06564	4.0
159.04378	4.7
160.05151	3.2
161.05965	14.1
162.05534	1.8
162.06761	19.9
162.09064	7.6
163.02052	0.7
165.03667	0.9
166.08563	2.9
167.01711	0.8
168.02345	2.5
175.02116	6.2
175.07510	3.8
176.02899	3.7
177.07863	1.1
178.08514	0.9
179.09351	1.2
189.03708	4.8
190.08730	1.0
191.05208	3.9
193.03191	21.1
194.03973	3.2
195.11264	6.2
201.03659	2.4
204.07870	0.8
207.04733	2.6
208.06029	0.8
208.09688	2.8
209.06328	21.7
210.05872	4.3
211.04242	3.4
211.06651	1.4
219.04723	5.4
236.09322	2.1
237.03648	1.1
237.05803	23.0
254.08412	100.0
254.16025	3.0
258.97632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1132
Annotation	Pyricarbate
Peak:m/z	Relative Intensity
51.37834	0.8
66.83099	0.8
67.17738	1.1
67.80679	0.9
69.03429	2.5
70.70126	0.9
86.06078	19.5
87.82436	0.9
109.07693	1.0
110.06129	1.2
119.06067	22.4
122.06051	2.3
123.04467	1.7
131.31729	1.0
137.07095	6.3
147.05536	5.2
148.03908	1.4
148.06316	4.9
149.07103	30.5
150.05516	10.8
152.07104	9.3
165.06589	100.0
166.07394	6.0
167.08156	5.4
210.12363	12.8
220.60387	1.1
254.11357	96.8
271.33780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30782	1.0
58.06601	18.0
58.38122	1.0
117.03377	1.2
118.93634	1.2
140.48772	1.3
149.05989	6.8
151.07558	1.3
163.03839	2.9
177.05463	100.0
179.06992	5.5
179.58823	1.3
180.87975	1.2
195.06525	7.6
204.10188	1.3
208.47046	1.4
209.08095	90.3
222.11250	24.6
254.13846	64.9
272.36774	1.1
272.62869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1384
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
54.41755	0.5
68.25801	0.6
79.20573	0.7
91.05481	0.9
93.07030	2.6
95.04939	0.8
103.05479	1.4
104.09769	0.6
116.07077	2.6
121.06498	100.0
133.06422	0.9
134.08130	5.8
150.09143	41.8
161.87726	0.6
192.79018	0.6
203.39261	0.7
222.20580	0.7
236.12569	0.7
254.13844	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.161
Annotation	CI 4
Peak:m/z	Relative Intensity
59.56525	0.4
60.08170	15.9
61.72448	0.4
63.89970	0.4
70.06594	4.7
84.08125	0.5
87.04428	0.7
98.06049	2.6
111.04434	0.6
119.04925	2.0
120.08066	2.6
120.61320	0.5
121.06503	2.8
121.08421	2.7
123.04421	0.4
125.05965	5.1
125.07083	3.6
136.06160	0.5
148.07587	0.6
149.05969	19.3
150.09152	0.7
153.05475	27.5
153.06596	5.7
162.05473	2.7
166.13362	0.7
167.11800	8.2
168.06523	0.5
177.05470	1.1
194.12865	9.8
195.06548	14.4
195.11288	100.0
208.09659	2.3
212.13937	0.8
237.13432	3.1
254.10471	3.5
254.13803	8.7
254.16124	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66096	0.4
60.38360	0.4
62.06079	0.7
69.07064	0.8
84.09861	0.5
85.10976	0.5
87.04466	10.6
91.05476	0.8
93.07074	0.7
95.08646	0.8
99.04398	0.6
103.75360	0.5
110.06035	0.5
110.09687	15.0
119.04917	2.5
121.06510	6.2
122.05989	1.0
123.04399	3.2
134.06044	1.2
135.06810	2.1
136.07608	1.1
137.05980	11.9
146.05989	0.7
147.04341	1.6
147.11702	1.0
148.07529	4.2
157.10078	0.9
162.05469	0.6
162.09120	5.6
165.05502	2.3
168.13837	27.8
175.11180	2.6
178.08672	0.6
180.08081	4.7
180.10112	1.2
190.08717	0.7
190.12263	0.7
192.10303	0.6
192.46333	0.5
194.08109	5.8
195.11121	0.6
196.13261	3.7
208.07571	4.7
208.09694	7.1
212.07176	0.6
222.07558	0.7
226.08722	0.7
236.07126	1.3
236.09207	3.6
236.12958	0.8
238.88506	0.6
252.09254	0.6
254.08020	1.6
254.10478	8.0
254.14163	3.6
254.17503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.5
55.39909	2.5
67.05506	18.9
69.07095	3.5
71.05006	3.0
73.07729	2.6
79.05500	24.5
81.07059	35.2
83.04994	4.0
83.08643	4.1
88.31085	3.1
91.05475	18.7
93.07059	38.0
95.08620	25.9
97.06499	10.8
105.07035	13.7
107.04956	38.4
107.08595	22.5
109.06515	6.0
109.10135	5.9
111.04443	3.1
117.07060	24.1
119.04956	6.1
119.08578	5.6
121.06499	73.8
123.08075	13.6
125.05942	3.6
131.08548	18.8
133.06506	22.8
135.08063	90.7
137.09628	3.9
141.07024	11.3
145.06453	4.9
145.10126	12.0
147.11693	4.2
149.13255	6.9
155.08554	4.6
157.10109	17.1
159.11678	34.5
173.09732	3.5
173.13228	54.2
183.11688	29.6
191.14261	15.7
201.12741	84.4
218.15446	7.1
219.13771	100.0
236.16426	49.8
254.17517	19.6
255.15950	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.5
55.39909	2.5
67.05506	18.9
69.07095	3.5
71.05006	3.0
73.07729	2.6
79.05500	24.5
81.07059	35.2
83.04994	4.0
83.08643	4.1
88.31085	3.1
91.05475	18.7
93.07059	38.0
95.08620	25.9
97.06499	10.8
105.07035	13.7
107.04956	38.4
107.08595	22.5
109.06515	6.0
109.10135	5.9
111.04443	3.1
117.07060	24.1
119.04956	6.1
119.08578	5.6
121.06499	73.8
123.08075	13.6
125.05942	3.6
131.08548	18.8
133.06506	22.8
135.08063	90.7
137.09628	3.9
141.07024	11.3
145.06453	4.9
145.10126	12.0
147.11693	4.2
149.13255	6.9
155.08554	4.6
157.10109	17.1
159.11678	34.5
173.09732	3.5
173.13228	54.2
183.11688	29.6
191.14261	15.7
201.12741	84.4
218.15446	7.1
219.13771	100.0
236.16426	49.8
254.17517	19.6
255.15950	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	24.9
57.07088	33.0
67.05521	6.8
69.07077	57.2
71.08636	18.3
79.05493	5.1
81.07059	31.4
83.08629	65.8
85.10196	11.5
86.06062	11.7
91.18475	2.6
93.07035	12.9
95.08612	26.6
97.06532	11.8
97.10168	45.6
100.07631	17.0
107.08576	12.2
109.10162	6.3
111.08066	16.5
111.11732	17.9
114.09168	17.6
121.10149	13.9
123.11704	6.3
125.09644	5.9
128.10707	4.3
135.11751	21.6
139.11209	4.7
140.78270	3.2
142.12260	2.8
149.13263	12.5
156.13821	4.0
156.72719	3.3
163.14751	4.7
197.68405	3.1
219.21039	20.6
237.22134	25.0
254.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02784	2.5
55.05515	27.9
57.06846	2.5
57.07082	37.0
64.71434	2.5
67.05500	6.3
69.07069	73.9
71.04989	4.0
71.08632	21.1
72.04506	5.2
72.08167	5.1
79.05463	4.3
81.07052	20.5
81.52353	2.7
83.04981	3.6
83.08624	87.4
85.10193	6.8
86.06074	6.8
87.17472	3.1
91.54405	2.5
93.07038	15.6
95.08623	24.5
95.09105	2.5
97.06538	14.3
97.10175	53.4
97.77610	2.6
100.07603	23.0
107.08595	15.7
109.10147	12.2
110.69697	2.5
111.08072	15.1
111.11721	10.7
114.09149	17.5
121.10142	22.1
123.11716	12.7
125.09637	12.5
125.13247	3.4
128.10701	5.3
135.11662	20.6
136.84595	2.8
137.13210	4.7
139.11174	4.5
142.12248	4.6
143.69864	2.9
149.13252	13.7
153.12679	3.4
156.13870	3.3
163.14821	5.7
219.21071	34.6
237.22127	30.8
254.24742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37246	0.9
55.01878	1.5
55.05521	29.8
57.03427	2.0
57.07085	39.0
58.06610	1.0
65.05978	0.9
67.05516	12.6
67.58019	0.9
69.03430	1.3
69.07074	71.4
70.06543	1.3
71.04994	1.7
71.08640	21.3
72.04510	2.5
72.08151	5.2
79.05494	5.2
80.77814	1.0
81.07059	27.3
83.04980	2.5
83.08627	63.6
85.10176	7.2
86.06068	13.7
86.09683	0.9
93.07056	15.3
93.60826	1.2
95.08604	21.7
97.06528	15.8
97.10173	52.1
99.08092	1.2
100.07620	20.1
100.11266	1.7
107.08607	16.1
109.10161	15.0
111.08073	19.2
111.11730	13.2
113.09669	1.3
114.09157	17.7
121.10143	20.3
123.11701	11.4
125.09617	11.0
125.13240	2.5
128.10704	11.3
135.11697	23.0
137.13257	5.5
139.11153	7.1
141.12796	1.3
142.12305	4.5
146.98703	1.0
149.13272	11.6
151.14845	1.2
153.12758	2.3
153.44028	1.2
156.13846	1.3
161.75264	1.1
163.14830	7.2
167.14291	1.1
167.78598	1.2
170.15421	1.3
171.34419	1.0
177.16377	4.9
184.17017	2.1
198.18546	1.4
212.23868	4.0
219.21074	34.4
237.22139	22.3
254.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05041	0.9
57.07072	4.1
58.06595	2.6
65.59505	0.4
68.05939	0.4
69.07067	1.1
70.06589	3.0
71.08626	2.5
72.08150	0.5
81.07056	0.6
83.69656	0.4
86.06065	14.7
95.08591	1.0
97.10137	0.5
100.07616	30.0
109.10213	0.6
135.11684	0.5
139.22652	0.5
139.72591	0.6
154.96719	0.5
181.64417	0.6
200.59941	0.5
254.24767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
57.07083	12.5
67.05508	6.8
69.07073	15.6
70.06590	1.8
71.08627	2.7
72.08125	1.4
79.05471	1.5
81.07057	7.8
83.08618	12.4
86.06058	12.8
90.68897	1.3
93.07033	6.6
95.08619	9.9
97.06491	4.7
97.10171	11.4
100.07628	29.5
104.24467	1.1
107.08593	2.6
109.10134	3.0
111.08091	2.6
111.11734	1.8
114.09173	3.1
119.12447	1.6
121.10136	6.9
123.11721	2.7
128.10678	1.7
135.11688	7.0
138.95309	1.1
139.11194	2.1
142.12234	1.7
149.13310	2.0
219.21106	6.2
237.22110	5.4
244.22849	1.2
250.56337	1.4
254.24777	100.0
270.81451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2839
Annotation	(-)-Solenopsin A
Peak:m/z	Relative Intensity
55.05509	5.3
57.07074	5.6
58.06602	6.4
62.72933	0.5
62.94480	0.5
67.05502	1.0
69.07076	8.3
70.06589	1.1
71.03225	0.5
71.08623	1.2
75.10796	0.5
81.07059	2.5
83.08630	4.8
85.10180	0.9
94.16836	0.5
95.08595	1.4
97.10151	4.3
109.10161	0.8
111.11720	1.0
116.82643	0.5
121.10099	1.3
134.31285	0.8
135.11708	0.9
235.49632	0.6
254.24768	15.2
254.28404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.8
55.95877	2.7
57.07075	6.7
65.17194	2.7
69.07074	40.2
70.22932	2.8
71.08615	2.9
74.47958	2.9
76.20316	2.4
83.08629	24.3
84.08149	2.7
85.10232	4.1
95.08609	3.0
96.05600	2.7
97.10161	19.8
111.11740	4.5
128.14369	5.8
128.89110	3.1
254.24548	8.7
254.28432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48954	58.6
59.10403	61.4
62.87370	71.5
131.25844	72.0
183.73201	75.8
254.97490	100.0
255.00404	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11708	0.3
52.13927	0.4
62.01922	0.4
63.40251	0.3
71.42722	0.4
79.83613	0.4
88.75700	0.4
91.34864	0.4
100.98982	0.4
102.06464	0.5
111.67957	0.4
128.80618	0.4
154.06419	0.5
161.51114	0.4
181.07600	11.9
182.05977	0.5
208.99641	0.5
209.07002	3.7
227.08130	100.0
255.07620	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33926	0.2
55.01878	1.9
57.03434	2.9
61.02925	0.6
69.03417	1.2
71.01350	1.3
72.47193	0.2
73.02911	3.4
73.35392	0.2
80.05021	1.1
85.02916	2.8
87.04480	0.4
91.03989	0.3
96.04469	0.4
97.02877	1.1
98.06102	0.2
103.03947	0.5
106.02932	3.9
106.58589	0.3
109.41699	0.2
115.03919	2.0
123.05547	100.0
133.04997	2.8
140.10738	0.4
209.09967	0.3
218.17784	0.2
222.07487	0.2
255.10664	0.7
255.13820	1.0
255.16927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23079	0.3
55.68459	0.4
56.66913	0.3
69.37059	0.3
71.46956	0.3
79.05511	0.5
79.52277	0.4
85.46622	0.4
87.99517	0.3
91.05486	0.8
95.04954	0.9
105.07047	0.4
107.04957	100.0
115.05470	3.5
117.07005	0.8
123.04418	11.3
131.04924	0.4
133.06512	1.0
137.05960	0.5
138.54549	0.4
143.04909	10.4
145.06497	14.0
149.05968	2.1
161.05971	25.8
163.09543	0.4
167.08513	0.9
177.06927	0.6
181.10156	0.6
191.08521	2.2
193.27318	0.4
194.07344	0.7
195.08070	5.0
209.09639	5.8
219.08073	0.8
223.07556	9.9
226.06290	1.8
227.06979	0.5
237.09084	8.4
240.07745	2.2
255.10149	64.8
255.17604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
57.03428	1.1
59.93163	0.8
68.24969	0.8
74.02435	1.0
84.08148	0.8
84.11266	0.7
87.04464	0.9
87.05604	1.5
95.04926	1.1
95.08590	1.5
96.08114	1.0
99.77018	0.7
107.04959	100.0
107.31787	0.9
115.05435	3.4
123.04430	12.4
123.05264	1.2
123.08078	3.8
124.07627	1.1
131.04941	1.0
133.06085	3.5
137.05972	4.1
143.04922	9.6
145.06483	15.0
149.06007	1.6
152.07033	1.1
154.06975	0.9
161.05978	26.5
166.04916	1.1
181.10097	0.8
192.10332	0.9
209.09587	6.2
226.06247	1.5
237.09056	7.9
237.12306	0.8
240.07954	1.2
255.10150	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
73.29905	0.7
75.11781	0.6
107.04958	100.0
115.05454	3.7
117.06979	1.2
123.04433	11.7
131.04903	1.0
143.04900	9.6
145.06496	15.2
161.05965	27.9
191.08604	0.9
195.07941	1.0
209.09691	5.3
226.06403	1.4
237.09128	8.6
240.07935	0.9
255.10152	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	Corsifuran C
Peak:m/z	Relative Intensity
53.23079	0.3
55.68459	0.4
56.66913	0.3
69.37059	0.3
71.46956	0.3
79.05511	0.5
79.52277	0.4
85.46622	0.4
87.99517	0.3
91.05486	0.8
95.04954	0.9
105.07047	0.4
107.04957	100.0
115.05470	3.5
117.07005	0.8
123.04418	11.3
131.04924	0.4
133.06512	1.0
137.05960	0.5
138.54549	0.4
143.04909	10.4
145.06497	14.0
149.05968	2.1
161.05971	25.8
163.09543	0.4
167.08513	0.9
177.06927	0.6
181.10156	0.6
191.08521	2.2
193.27318	0.4
194.07344	0.7
195.08070	5.0
209.09639	5.8
219.08073	0.8
223.07556	9.9
226.06290	1.8
227.06979	0.5
237.09084	8.4
240.07745	2.2
255.10149	64.8
255.17604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	Corsifuran C
Peak:m/z	Relative Intensity
57.03996	0.4
58.67685	0.4
58.83962	0.4
69.83487	0.4
72.27605	0.4
74.89140	0.4
75.69742	0.4
91.05479	0.5
95.04975	1.8
105.03364	0.4
107.04954	100.0
115.05466	4.5
117.06958	1.6
123.04420	11.6
131.04921	0.5
133.06453	0.7
143.04918	10.8
145.06485	11.8
149.05959	0.7
161.05965	26.9
161.07297	0.9
166.07819	0.7
167.08533	0.9
172.92287	0.4
181.10158	0.7
191.08586	0.8
193.15292	0.6
194.07326	0.8
195.08047	4.4
208.99719	0.6
209.09602	6.6
216.32294	0.4
219.08072	0.8
223.07524	6.3
226.06294	2.0
237.09093	7.5
240.07803	2.8
255.10143	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	Corsifuran C
Peak:m/z	Relative Intensity
60.02955	0.3
64.92712	0.3
66.88418	0.3
72.78828	0.2
79.05489	0.7
85.05562	0.4
91.05488	0.6
95.04977	0.4
99.98038	0.3
100.99198	0.5
105.07008	0.3
107.04952	100.0
114.16383	0.3
115.05431	4.4
117.07014	1.2
121.43649	0.3
123.04427	12.0
131.04950	0.7
133.06422	1.1
134.72014	0.3
143.04907	11.7
143.06032	0.5
145.05324	0.5
145.06477	15.1
145.21533	0.3
146.07179	0.4
149.05968	1.6
155.06046	0.6
159.07652	0.3
161.05963	27.4
164.48506	0.3
165.06908	0.4
166.07701	0.5
181.06503	0.6
181.10205	0.3
190.98581	0.5
191.08572	1.5
194.07253	1.5
195.08063	4.1
208.99591	0.5
209.09566	5.4
219.08049	1.3
222.06819	0.4
223.07561	6.1
226.06197	1.7
227.07069	0.6
237.09099	7.7
240.07817	3.4
255.10133	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68251	1.7
57.03452	16.3
58.06594	2.7
64.54037	2.0
68.47191	1.9
75.04473	5.5
88.62457	2.1
90.83656	2.2
91.05497	10.6
93.07061	3.6
103.05486	22.1
105.07043	2.3
107.04919	3.5
110.03645	9.7
119.04938	17.4
121.06509	15.5
123.04435	20.6
131.04932	100.0
135.08049	4.2
137.05995	30.5
138.06775	32.0
149.05931	2.7
151.07533	12.6
163.07530	35.1
166.06261	42.8
172.56549	2.1
177.05550	5.2
178.05827	14.0
179.06914	3.3
180.07462	2.8
181.08659	20.2
198.95879	2.4
207.10280	2.7
209.07986	3.7
210.08434	14.9
223.11646	8.1
255.08244	4.2
255.11301	11.7
255.14244	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68251	1.7
57.03452	16.3
58.06594	2.7
64.54037	2.0
68.47191	1.9
75.04473	5.5
88.62457	2.1
90.83656	2.2
91.05497	10.6
93.07061	3.6
103.05486	22.1
105.07043	2.3
107.04919	3.5
110.03645	9.7
119.04938	17.4
121.06509	15.5
123.04435	20.6
131.04932	100.0
135.08049	4.2
137.05995	30.5
138.06775	32.0
149.05931	2.7
151.07533	12.6
163.07530	35.1
166.06261	42.8
172.56549	2.1
177.05550	5.2
178.05827	14.0
179.06914	3.3
180.07462	2.8
181.08659	20.2
198.95879	2.4
207.10280	2.7
209.07986	3.7
210.08434	14.9
223.11646	8.1
255.08244	4.2
255.11301	11.7
255.14244	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29039	0.6
67.05503	1.0
73.02915	1.4
76.32523	0.8
82.06575	4.7
84.07692	1.3
84.08154	22.8
94.06572	11.3
95.04968	0.8
96.08128	4.3
96.63000	0.7
99.04448	5.8
106.06549	1.3
107.04983	1.7
110.06092	0.8
111.10022	0.9
112.07615	0.8
118.06606	0.7
120.08127	4.1
122.05988	0.9
123.04663	1.0
123.05549	12.3
127.03809	0.9
128.07109	1.7
131.08539	1.0
132.08096	1.3
133.08876	3.4
134.09657	3.9
139.57126	0.7
143.07320	1.1
146.09662	3.4
147.09200	1.1
148.11217	100.0
158.09644	17.7
160.09966	2.9
160.35068	0.7
163.12321	4.0
169.14166	1.7
174.63004	0.8
175.12309	86.4
176.10692	7.1
178.76228	0.9
219.11292	6.1
223.07971	3.0
237.09352	1.1
237.12326	8.1
255.04660	0.8
255.10381	6.8
255.13599	5.8
255.17825	13.4
259.80905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86663	1.7
53.03932	2.4
55.01880	100.0
55.05511	11.2
56.02586	1.9
57.03437	3.9
65.32529	1.9
67.05509	44.5
69.03442	5.1
69.07069	33.7
71.04998	18.7
79.05498	38.8
81.03443	3.4
81.07056	44.8
83.04986	18.0
83.08619	4.8
85.02897	2.5
85.06538	4.5
91.05473	26.9
93.07038	54.2
95.04977	8.1
95.08607	36.2
97.02856	3.5
97.06540	20.4
97.10163	18.5
99.04460	10.3
99.08094	4.8
105.07027	25.7
105.81586	2.2
107.04955	71.2
107.08598	46.8
109.06520	18.3
109.10172	9.1
111.04456	2.8
111.11712	2.9
117.07013	9.7
117.63742	2.3
119.08583	33.7
121.06470	18.2
121.10136	95.4
123.08084	16.6
125.09565	4.0
129.07050	3.7
131.08560	35.8
133.06520	5.4
133.10129	10.6
135.08040	13.1
135.11685	4.3
136.75288	2.4
137.09645	4.1
139.11171	22.8
141.06999	8.6
143.08514	3.0
145.10109	13.9
147.11737	17.2
149.09604	73.8
149.13272	3.0
155.08537	4.6
157.10085	18.3
157.28781	2.1
159.08035	3.6
159.11671	14.2
163.11198	3.0
167.10657	17.4
169.10080	3.9
171.11678	5.0
173.13257	11.7
182.10905	2.8
183.11710	16.8
185.13283	4.2
190.98549	2.2
191.14331	3.6
195.11700	2.9
197.13205	23.1
201.12651	15.5
203.12791	9.1
209.15289	2.9
211.14781	11.9
213.16365	4.8
219.13794	17.7
219.92197	2.5
227.12024	2.8
237.14677	32.8
237.18541	4.1
240.05360	2.4
255.11346	4.4
255.17851	32.4
255.21104	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01879	2.5
55.05518	22.5
57.03445	49.0
57.07072	3.9
63.27498	1.6
67.05508	73.6
69.03407	1.8
69.07070	33.0
71.01360	3.6
71.04990	12.1
79.05495	66.2
81.03409	8.9
81.07069	35.3
82.38612	1.5
83.04971	26.1
83.08611	10.7
85.06540	4.0
91.05467	23.9
93.07043	98.1
95.04941	8.4
95.08614	17.0
97.06518	20.8
97.10178	19.7
99.08080	3.8
105.07044	8.6
107.04976	2.1
107.08596	57.2
109.10157	15.1
111.08108	3.0
117.07010	8.7
119.08559	14.1
121.06521	3.5
121.10148	15.3
125.09644	3.8
133.10098	7.9
135.11696	100.0
137.09604	2.6
143.08597	2.4
145.10118	20.2
155.08467	1.9
157.10133	3.2
163.11163	13.3
169.10118	1.9
181.12186	13.4
183.11694	1.9
185.13321	2.2
197.13255	1.7
199.11273	1.7
199.13391	2.8
208.89757	1.7
213.12709	1.7
237.16356	1.8
250.36830	1.7
255.15675	82.7
255.21164	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
55.01874	2.1
55.05503	7.0
57.03423	1.1
57.07066	2.3
67.05245	1.1
67.05512	19.2
69.03426	2.4
69.07069	26.9
71.04977	1.5
71.08615	2.2
73.02915	1.4
79.05499	17.2
81.03397	2.0
81.06618	1.8
81.07062	38.9
83.04987	3.1
83.08624	11.8
85.06503	1.7
89.49251	1.3
91.05460	3.2
93.07053	27.9
95.04945	6.9
95.08067	2.0
95.08604	27.4
97.02882	7.0
97.10133	5.5
99.04429	5.6
105.07013	6.1
107.04936	6.5
107.08600	33.2
109.06497	6.4
109.10172	13.1
111.04405	2.0
111.08084	1.7
111.11706	2.9
117.06969	6.1
119.08532	9.1
121.06478	8.3
121.09412	1.5
121.10151	26.3
122.53201	1.2
123.08080	2.5
123.11694	28.4
125.05987	2.0
125.09666	1.4
131.08565	12.8
133.06468	1.4
133.10101	5.3
135.08057	13.7
135.11697	5.0
137.09583	1.8
139.07494	7.2
145.10074	5.7
147.11656	3.1
149.09583	7.3
149.13274	13.1
153.09064	2.9
157.10139	2.0
159.11659	1.4
163.14812	40.9
167.10684	1.6
173.13281	18.8
176.35402	1.4
190.08968	1.3
191.14304	44.4
195.11588	1.7
197.13235	1.8
209.13332	1.3
209.15276	11.6
237.14743	6.4
255.15826	100.0
255.20625	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03940	3.1
55.05510	24.4
57.03441	54.3
58.35923	3.4
64.24728	3.4
67.05510	62.5
69.07068	23.3
71.04988	7.4
79.05499	75.3
81.03408	8.6
81.07057	39.7
83.04990	34.1
83.08629	9.3
85.06543	6.0
91.05464	24.4
93.07043	100.0
95.04952	7.9
95.08595	22.7
97.06533	30.5
97.10180	22.8
99.08080	4.2
105.07058	4.5
107.04958	3.5
107.08608	53.6
109.10191	9.0
111.08111	4.4
117.07030	6.7
119.08590	7.9
121.10142	21.8
125.80308	3.9
133.10146	6.7
135.11705	94.5
137.09647	5.5
143.08530	4.0
145.10106	19.1
149.13138	3.5
155.08588	4.4
157.10129	6.7
163.11163	5.6
171.11708	3.9
173.09673	4.2
181.12218	19.2
184.86896	4.0
197.13199	3.9
200.43851	3.8
205.47958	4.5
206.61754	4.2
209.13284	5.0
214.95253	4.0
255.11613	4.9
255.15923	62.7
255.21059	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.174
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
51.00917	1.4
55.89707	1.2
69.07076	2.2
71.04987	7.8
81.07067	2.6
83.08635	1.8
85.06556	12.3
90.98256	1.5
91.05476	1.6
93.07043	2.9
95.08603	3.3
95.55811	1.5
105.07034	6.2
107.08582	2.6
117.07025	2.0
119.08567	6.2
119.75587	1.6
131.08582	6.3
133.10135	2.2
143.08553	3.5
145.10146	7.7
147.11623	2.9
155.08546	9.3
157.10088	14.2
159.11646	6.7
161.13176	1.5
169.10072	10.7
170.10913	6.0
171.11700	14.1
173.13181	3.2
181.10139	5.7
182.10912	8.7
183.11676	6.4
185.13232	12.4
193.10147	7.5
195.11700	8.5
195.60493	1.6
196.12482	2.2
197.13297	11.3
199.14816	3.3
207.11649	5.7
208.12447	11.3
209.13327	2.7
211.14775	16.0
213.16524	2.9
222.13983	10.1
237.16371	32.8
255.17426	100.0
255.21013	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.01865	1.3
55.05517	3.7
57.03429	2.8
62.57054	1.4
62.73655	1.1
67.05517	8.9
69.07068	5.5
71.04984	2.7
75.28677	1.4
79.05491	11.3
79.50264	1.3
81.07057	15.9
83.04986	3.4
83.08630	3.0
85.02927	1.4
91.05484	7.1
93.07040	13.8
95.04950	3.5
95.08608	7.2
96.60865	1.4
97.06541	8.8
97.10193	1.7
101.43051	1.4
105.07052	10.9
107.08610	10.4
109.06522	6.6
109.10178	7.0
111.08115	2.9
116.28083	1.5
117.07032	2.0
119.08559	20.4
121.06521	2.0
121.10157	7.7
131.08580	8.2
133.10132	10.2
135.08090	9.6
135.11693	7.8
143.08591	9.5
145.10129	3.3
147.08078	2.3
147.19513	1.4
149.09669	1.7
149.13306	1.4
155.08588	9.2
156.09386	3.3
157.10132	17.0
159.11697	6.1
161.09660	1.8
163.38269	1.7
169.10124	14.1
170.10841	2.1
171.11694	15.6
173.09644	3.3
173.13243	2.0
175.11238	2.4
181.10152	7.1
182.10968	7.4
183.11755	9.3
185.09653	1.9
185.13268	7.4
187.11168	23.2
195.11745	9.9
196.12579	2.6
197.13240	26.0
199.11168	20.3
209.13321	2.8
211.14799	16.1
212.15558	12.0
213.12842	8.5
213.16370	24.2
222.13972	2.5
227.17833	1.8
237.16541	13.8
248.71593	1.4
255.17490	100.0
255.20918	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.05515	3.9
55.52606	1.4
57.03465	1.4
67.05523	11.7
69.07079	6.7
71.04967	1.4
79.05504	13.4
81.07053	12.4
83.08619	1.9
89.85529	1.7
91.05489	6.9
93.07008	12.3
95.08614	16.7
97.10217	1.9
100.11452	1.7
105.07019	6.7
107.08601	3.7
109.10139	6.0
117.07009	4.0
119.08577	6.9
121.10189	6.9
128.06218	2.9
129.07011	11.4
131.08553	15.4
133.10146	6.4
135.11679	6.4
141.06992	3.7
142.07758	2.0
143.08556	43.8
145.10110	23.1
147.11664	3.7
155.08530	7.1
157.06516	1.6
157.10126	20.7
159.08047	7.9
159.11720	11.4
161.13303	2.5
167.08549	2.7
169.10098	13.0
171.08041	1.9
171.11653	12.3
173.09659	3.0
173.13263	3.0
175.11116	1.8
181.10155	7.9
181.17592	2.1
183.11723	8.2
185.09660	16.5
185.13278	3.7
195.11748	15.8
197.13301	2.1
199.11227	3.0
199.14845	8.4
209.13293	6.8
211.14844	3.1
213.12787	3.7
227.17958	10.7
237.16393	18.1
255.13570	3.0
255.17427	100.0
255.21051	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
51.44369	1.9
57.03437	2.2
57.07075	1.9
58.98816	1.8
60.88654	1.9
67.05506	5.4
69.07069	5.5
71.04997	2.4
79.05519	5.4
81.07064	10.7
83.08604	2.9
85.83003	1.9
91.05502	3.3
93.07025	17.0
95.08608	9.5
97.06519	3.1
105.07043	10.7
107.08604	5.1
109.06534	3.9
109.10160	4.3
119.08599	17.6
121.10150	4.4
125.16553	2.3
131.08536	5.2
133.06471	5.1
133.10104	2.7
135.08083	9.5
135.11734	3.4
143.08545	14.0
145.10110	11.1
147.11664	8.8
149.13297	2.8
155.08536	4.4
157.10083	19.8
159.11676	9.3
167.08583	2.8
169.08830	2.7
169.10083	16.8
171.11700	15.8
173.13213	5.2
180.09244	2.8
182.10901	5.0
183.07874	2.6
183.11784	2.6
185.13283	12.1
187.14758	2.6
195.11644	5.1
197.13258	41.9
199.11147	3.9
199.14836	5.4
211.14807	25.2
212.15564	9.3
213.12836	2.8
213.16356	21.5
216.96915	2.4
222.14114	3.0
224.53490	2.9
235.25777	2.4
237.16409	9.9
255.11246	4.1
255.17430	100.0
255.21080	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
67.05510	3.6
69.07065	1.6
74.42490	0.7
79.05478	4.2
81.07057	10.6
83.08635	0.9
91.05470	3.5
93.07051	6.5
95.08586	9.5
105.07029	11.2
107.08601	8.6
109.10152	5.8
117.07009	3.5
119.08565	7.5
121.10174	6.6
123.11642	1.1
129.06894	1.4
131.08537	6.7
133.10135	6.6
135.11682	3.4
143.08615	2.0
145.10127	19.8
147.11688	14.6
149.13234	1.4
149.69110	0.8
157.10161	1.5
159.11688	16.0
161.13251	8.7
171.11647	4.8
173.13222	10.2
175.14706	1.0
184.42900	0.9
185.13271	4.7
187.14833	1.7
196.81052	0.8
197.13231	0.8
199.14767	11.3
212.15355	0.7
213.16399	5.0
227.17876	1.7
237.16447	0.9
243.37248	0.8
255.17285	8.4
255.21046	100.0
270.15308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2317
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
54.01543	3.6
55.05519	52.3
57.03451	9.4
57.07087	68.1
67.05505	29.5
69.07074	100.0
71.08636	37.1
79.05492	6.3
81.07061	60.1
83.04988	5.3
83.08616	74.5
85.06542	7.2
85.10163	17.7
90.85197	5.4
93.07045	38.4
95.08614	49.2
97.06538	27.2
97.10178	52.0
107.08575	37.1
109.10155	23.3
111.08092	9.6
111.11746	10.6
121.10143	36.9
123.11713	8.1
125.09616	20.3
125.13287	5.0
129.09116	4.6
135.11713	42.5
137.13258	7.3
139.11189	22.7
139.46390	4.4
149.13268	28.2
153.12735	23.4
163.14841	29.2
195.39566	4.7
214.25253	16.6
219.21092	46.1
237.22179	24.4
255.06546	4.3
255.10048	4.8
255.19458	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83187	0.2
51.97079	0.2
55.35223	0.1
55.55155	0.2
61.37676	0.2
84.29871	0.2
106.06591	0.2
116.04977	0.3
118.06496	0.2
119.04956	0.3
134.06015	0.8
135.04413	0.7
144.04468	0.2
162.05484	3.2
170.50119	0.2
180.99670	0.2
207.11328	0.2
241.07423	0.8
256.09671	100.0
264.16333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83187	0.2
51.97079	0.2
55.35223	0.1
55.55155	0.2
61.37676	0.2
84.29871	0.2
106.06591	0.2
116.04977	0.3
118.06496	0.2
119.04956	0.3
134.06015	0.8
135.04413	0.7
144.04468	0.2
162.05484	3.2
170.50119	0.2
180.99670	0.2
207.11328	0.2
241.07423	0.8
256.09671	100.0
264.16333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33887	0.3
56.52433	0.3
57.00898	0.3
59.87199	0.3
66.95249	0.3
68.09406	0.4
70.99527	0.4
110.65683	0.4
119.00441	0.5
134.06032	0.7
151.58099	0.4
162.05487	3.9
256.09665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11781	0.2
64.60777	0.2
94.13838	0.2
97.79572	0.2
104.88750	0.2
113.56831	0.2
121.06493	1.0
124.08789	0.2
181.74509	0.2
217.27933	0.2
226.08647	0.9
241.07268	1.8
256.09674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0967
Annotation	Ketorolac
Peak:m/z	Relative Intensity
53.11989	0.2
58.53965	0.2
77.38002	0.2
98.41547	0.2
121.06518	0.4
143.99484	0.2
159.50615	0.2
213.07735	0.3
226.08644	0.5
228.10260	0.3
241.07225	1.5
250.05118	0.2
256.09674	100.0
256.26321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.0
56.96555	0.9
57.07097	0.8
57.34975	0.6
60.36224	0.8
61.74432	0.8
75.45232	0.7
81.07103	0.8
88.07608	1.4
95.08618	4.4
102.64367	0.8
109.10170	1.3
117.88998	1.0
131.97404	1.7
132.95856	5.5
150.96927	8.2
156.08087	3.6
173.98517	3.7
175.14818	1.4
179.14288	0.9
182.49825	0.8
184.07620	1.5
191.97206	5.7
192.56129	0.9
209.98183	1.1
210.18497	1.3
213.07852	27.8
214.08632	100.0
238.17937	1.5
256.09683	30.2
256.26392	8.5
265.95218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33887	0.3
56.52433	0.3
57.00898	0.3
59.87199	0.3
66.95249	0.3
68.09406	0.4
70.99527	0.4
110.65683	0.4
119.00441	0.5
134.06032	0.7
151.58099	0.4
162.05487	3.9
256.09665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53897	0.4
61.88104	0.3
69.47301	0.4
70.06583	0.4
71.80710	0.3
90.05547	1.0
91.05476	1.9
93.07041	5.0
94.06525	0.7
94.94128	0.4
95.04988	1.5
95.06091	0.5
95.67451	0.4
96.08147	0.7
97.02918	0.5
97.36662	0.4
98.97586	0.5
103.05468	2.0
110.07178	3.7
112.07665	0.5
113.05968	0.5
121.06501	100.0
122.06004	0.9
136.06067	3.1
137.06000	0.5
140.07062	6.7
166.08626	0.9
180.10168	0.6
192.10197	0.6
194.08055	0.6
208.09631	0.7
210.11261	7.0
210.16066	0.6
220.09650	1.0
238.10722	1.6
238.14362	0.5
256.11765	42.5
256.16336	3.5
256.26425	0.9
266.91086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1177
Annotation	Rubrobramide
Peak:m/z	Relative Intensity
58.53897	0.4
61.88104	0.3
69.47301	0.4
70.06583	0.4
71.80710	0.3
90.05547	1.0
91.05476	1.9
93.07041	5.0
94.06525	0.7
94.94128	0.4
95.04988	1.5
95.06091	0.5
95.67451	0.4
96.08147	0.7
97.02918	0.5
97.36662	0.4
98.97586	0.5
103.05468	2.0
110.07178	3.7
112.07665	0.5
113.05968	0.5
121.06501	100.0
122.06004	0.9
136.06067	3.1
137.06000	0.5
140.07062	6.7
166.08626	0.9
180.10168	0.6
192.10197	0.6
194.08055	0.6
208.09631	0.7
210.11261	7.0
210.16066	0.6
220.09650	1.0
238.10722	1.6
238.14362	0.5
256.11765	42.5
256.16336	3.5
256.26425	0.9
266.91086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53897	0.4
61.88104	0.3
69.47301	0.4
70.06583	0.4
71.80710	0.3
90.05547	1.0
91.05476	1.9
93.07041	5.0
94.06525	0.7
94.94128	0.4
95.04988	1.5
95.06091	0.5
95.67451	0.4
96.08147	0.7
97.02918	0.5
97.36662	0.4
98.97586	0.5
103.05468	2.0
110.07178	3.7
112.07665	0.5
113.05968	0.5
121.06501	100.0
122.06004	0.9
136.06067	3.1
137.06000	0.5
140.07062	6.7
166.08626	0.9
180.10168	0.6
192.10197	0.6
194.08055	0.6
208.09631	0.7
210.11261	7.0
210.16066	0.6
220.09650	1.0
238.10722	1.6
238.14362	0.5
256.11765	42.5
256.16336	3.5
256.26425	0.9
266.91086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.55662	0.3
65.03940	0.4
74.55427	0.3
89.63252	0.2
91.05481	100.0
91.80431	0.3
103.05464	0.3
105.07062	2.6
107.04974	1.7
115.05438	2.6
120.08131	0.5
123.03554	0.7
123.04426	14.7
129.07002	11.7
133.06494	0.4
137.05977	1.3
143.04907	8.0
147.04419	1.6
148.05176	2.2
161.05971	19.6
164.07062	5.0
178.07764	1.4
189.15688	0.4
193.10109	4.4
203.08545	1.5
210.06801	1.3
211.07443	0.4
221.09613	8.8
224.08234	0.4
233.00978	0.5
237.08951	0.4
239.10655	43.0
256.13306	59.0
275.57214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1329
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
52.61106	0.4
65.03934	0.8
65.75808	0.4
65.91457	0.4
70.02446	0.4
74.69185	0.4
79.66664	0.4
91.05478	100.0
105.07060	2.4
107.05000	0.6
115.05470	1.0
123.04416	12.5
129.06990	11.4
132.95859	0.6
137.05969	1.0
143.04927	7.5
147.04469	0.7
148.05135	0.8
161.05974	21.8
161.07323	0.9
164.07076	4.6
178.07776	1.0
193.10165	4.8
203.08618	0.7
211.07571	0.5
221.09634	7.8
239.10654	44.2
256.13312	54.6
256.26300	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.133
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
51.68317	0.5
55.52200	0.7
60.25216	0.6
60.76222	0.6
62.50105	0.7
63.12206	0.6
74.12673	0.6
75.11324	0.6
83.93661	0.6
91.05482	100.0
92.53236	0.6
95.34509	0.6
105.07027	1.6
109.01889	0.7
115.05428	0.8
116.05772	0.8
123.04423	12.6
129.06989	9.4
143.04907	6.2
147.04401	1.0
148.05194	0.9
161.05966	17.3
164.07072	4.5
178.07797	1.6
193.10184	5.5
203.08501	0.9
221.09570	8.5
225.16698	0.7
239.10661	42.4
256.13315	55.2
256.26312	1.4
272.07043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00433	0.5
59.28145	0.7
73.17091	0.6
77.89113	0.5
78.92477	0.5
79.66688	0.5
91.05482	100.0
105.07037	1.5
112.40192	0.6
113.30799	0.6
115.05466	1.2
123.04420	13.5
129.07002	11.4
137.05997	1.1
143.04924	6.2
148.05263	0.9
161.05981	18.8
164.07040	3.9
178.07745	1.2
193.10075	4.6
203.08498	1.2
210.06866	1.2
221.09619	7.7
224.08299	0.8
239.08192	0.8
239.10660	40.4
256.13312	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73862	0.3
63.21808	0.3
65.03959	0.5
73.78910	0.3
84.33770	0.3
91.05481	100.0
105.07037	2.1
112.01604	0.4
115.05447	1.9
120.08086	0.5
121.06553	0.5
121.84709	0.4
123.03555	0.7
123.04424	13.7
123.61008	0.4
129.06998	10.9
137.05974	1.5
143.04915	6.3
147.04416	0.6
148.05208	1.7
155.87505	0.4
161.05971	21.8
164.07047	4.0
178.07732	1.7
193.10132	5.2
203.08516	1.5
210.06740	0.4
221.09599	10.6
237.09276	0.4
239.10654	45.2
256.13312	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1329
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
59.57597	3.2
64.35920	3.0
75.64499	3.4
120.13094	3.9
121.06506	9.0
127.31664	3.3
180.50436	4.3
212.10675	20.0
213.05014	4.5
240.10208	31.0
241.10947	43.1
256.06778	17.3
256.10516	4.4
256.13306	100.0
256.26401	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69045	0.8
55.05520	14.2
57.07080	5.2
67.05514	18.5
69.07072	32.3
71.04989	8.9
71.08640	1.8
77.94534	0.9
79.05492	4.1
80.39878	0.9
81.07064	50.7
83.08622	38.7
85.06543	4.5
85.10199	1.2
93.07035	5.7
95.08610	82.3
97.10171	27.2
99.08117	1.8
107.08582	6.7
109.10159	54.2
111.08092	1.1
111.11701	13.1
112.65755	1.0
115.11150	1.1
119.08584	1.2
121.10147	16.2
123.11707	21.7
125.13230	1.2
125.55840	1.0
129.12732	2.2
132.95856	1.9
133.10150	4.9
135.11700	5.4
137.09654	1.4
137.13237	10.2
139.11212	1.6
147.11700	5.8
150.96933	1.2
151.14806	1.8
161.13257	4.0
163.14799	1.2
165.12857	1.0
191.97249	1.7
193.19530	9.7
203.17989	11.4
209.98311	1.0
211.20538	4.1
211.47150	1.0
221.19023	8.2
239.20041	5.7
256.22693	21.8
256.26382	9.5
257.21094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.7
57.07076	9.4
59.81654	1.5
67.05517	51.2
69.07074	60.5
69.35853	1.4
71.08642	3.0
79.05495	8.7
81.07063	61.1
83.04993	2.5
83.08626	42.1
85.06533	6.5
85.10181	1.8
88.07636	2.9
93.07050	12.9
95.08613	100.0
97.06512	2.8
97.10175	40.3
99.08108	3.1
103.29453	1.8
105.07052	4.1
107.08601	8.7
109.10162	41.7
111.08011	1.9
111.11740	15.6
119.08591	9.7
121.10142	21.9
121.73083	1.6
123.08037	2.5
123.11734	17.6
125.09634	2.7
126.33465	1.6
133.10133	17.4
135.11691	10.3
137.09647	3.7
137.13264	9.0
139.11227	7.5
147.11667	12.1
151.11191	6.8
153.12746	2.1
157.12198	2.7
161.13252	4.2
165.12766	2.7
175.14851	2.1
179.17899	2.9
203.17981	29.1
221.18990	23.3
238.21606	3.8
239.19992	9.8
256.22827	21.0
256.26233	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.7
57.07076	9.4
59.81654	1.5
67.05517	51.2
69.07074	60.5
69.35853	1.4
71.08642	3.0
79.05495	8.7
81.07063	61.1
83.04993	2.5
83.08626	42.1
85.06533	6.5
85.10181	1.8
88.07636	2.9
93.07050	12.9
95.08613	100.0
97.06512	2.8
97.10175	40.3
99.08108	3.1
103.29453	1.8
105.07052	4.1
107.08601	8.7
109.10162	41.7
111.08011	1.9
111.11740	15.6
119.08591	9.7
121.10142	21.9
121.73083	1.6
123.08037	2.5
123.11734	17.6
125.09634	2.7
126.33465	1.6
133.10133	17.4
135.11691	10.3
137.09647	3.7
137.13264	9.0
139.11227	7.5
147.11667	12.1
151.11191	6.8
153.12746	2.1
157.12198	2.7
161.13252	4.2
165.12766	2.7
175.14851	2.1
179.17899	2.9
203.17981	29.1
221.18990	23.3
238.21606	3.8
239.19992	9.8
256.22827	21.0
256.26233	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	15.3
57.07085	95.7
65.50587	1.9
65.78196	2.0
67.05512	37.0
69.07072	27.1
71.08620	9.5
74.59380	2.0
81.07061	81.8
83.08621	21.0
84.23499	2.0
88.07635	10.4
91.05532	2.4
93.07043	4.6
95.07992	4.3
95.08608	100.0
97.06509	4.4
97.10164	27.1
102.09173	4.1
107.08589	8.9
109.10162	72.8
111.11716	18.0
119.08570	3.5
121.10134	11.6
123.11707	33.3
127.11182	52.1
132.95845	2.6
133.10124	8.6
135.11636	3.2
137.13254	17.7
147.11684	4.6
151.11079	2.8
152.96521	2.2
193.19531	40.5
203.17955	39.5
221.19002	40.6
233.09480	2.1
239.20059	34.6
239.44568	2.0
256.22705	27.4
256.26315	42.7
257.21051	11.3
257.33243	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20874	0.5
55.05505	0.8
57.07084	5.4
58.06591	1.0
59.68225	0.5
63.86661	0.4
66.70754	0.5
67.05498	2.2
67.86781	0.5
69.07056	1.2
70.06284	0.5
70.06597	6.9
71.08627	3.3
74.00925	0.5
79.32334	0.5
81.07040	2.4
83.08628	1.3
85.10188	1.1
88.07627	19.4
89.03055	0.5
92.44638	0.5
93.07021	0.6
93.61724	0.5
95.08601	3.6
97.10155	0.7
102.09181	13.2
109.10150	0.9
121.10170	0.6
123.11726	0.7
125.44593	0.6
151.02351	0.6
154.11804	0.6
203.17960	0.9
208.59996	0.5
221.18893	0.6
252.44243	0.6
256.26334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2635
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.06871	0.2
57.07090	4.0
70.06599	2.7
71.08648	2.1
72.44148	0.2
78.60728	0.2
85.10210	0.4
88.07639	10.7
89.69299	0.3
100.03250	0.3
102.09219	0.6
107.59892	0.3
120.71319	0.3
214.82217	0.3
222.75603	0.3
256.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2631
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
55.05518	2.3
57.07085	4.4
58.06589	0.9
67.05508	2.3
69.07062	3.4
70.06596	8.0
71.08617	1.2
76.01687	0.5
81.07056	3.3
83.08600	1.4
85.10181	0.9
88.07121	0.9
88.07634	20.1
93.23430	0.5
95.08619	5.6
97.02875	0.6
97.10164	2.6
100.07625	0.5
102.09186	18.1
109.10125	2.3
121.10179	0.6
123.11713	0.6
137.80722	0.5
150.96870	0.7
171.98843	0.6
203.18022	1.0
210.67203	0.5
221.18962	1.0
249.20000	0.6
256.06863	0.6
256.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	3.2
59.88107	0.3
63.95136	0.3
70.06591	3.1
71.08619	2.0
85.10115	0.5
85.81490	0.3
88.07630	10.7
102.09164	0.7
132.95863	0.4
256.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2634
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.07072	4.3
60.04247	0.9
66.49393	0.9
69.07062	1.1
71.08622	1.3
74.06083	1.7
85.75526	0.9
86.84009	1.0
88.07635	11.3
102.09168	7.6
116.10716	2.0
171.87988	1.3
187.02278	1.2
194.15552	1.1
253.93282	1.3
256.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13445	2.9
56.96577	3.9
61.75586	2.8
64.76569	2.7
79.39110	2.5
83.22942	2.8
96.37299	2.6
98.97588	100.0
100.88148	3.2
103.82330	2.9
116.98623	38.7
124.65090	3.3
134.99651	6.7
232.96411	3.6
274.97556	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	17.0
58.12645	3.4
68.24785	3.7
69.03422	21.8
73.02935	5.9
81.03409	9.4
83.04990	7.2
85.02917	34.5
85.11863	3.6
93.03382	6.0
95.04961	9.1
97.02892	9.5
98.97601	27.2
99.04464	4.3
100.46556	3.8
101.00905	19.1
116.98626	7.0
118.08622	5.8
119.01906	100.0
121.02850	59.1
123.05544	6.1
127.03875	6.8
128.98640	5.0
131.01979	4.6
134.06012	5.9
137.02942	26.8
139.04001	4.5
145.03467	7.5
147.04936	4.7
150.06310	7.8
151.07545	5.2
152.07010	7.3
155.01849	6.3
157.03474	19.7
158.99625	15.1
159.05011	16.2
161.05647	4.5
169.04512	10.3
170.03349	5.1
170.05077	18.5
171.05043	9.1
173.02959	7.5
175.02907	5.0
175.04510	23.6
177.00673	4.9
177.04195	5.6
179.08835	5.0
180.07375	21.0
192.27795	4.3
193.03558	6.1
195.05000	5.7
197.02864	29.7
201.00705	8.3
201.06047	6.0
203.01987	8.0
208.02057	4.6
209.06552	5.9
211.04553	24.8
213.05902	6.0
215.04034	21.2
216.04120	5.1
221.02922	44.4
227.07581	20.5
229.05602	8.2
233.04999	4.9
239.03958	19.3
239.07733	8.0
239.11050	5.4
239.13824	8.4
251.04456	7.5
257.05014	87.0
257.12106	60.0
275.06070	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
67.05525	0.7
79.05476	0.8
91.05501	1.4
95.04927	0.7
95.08625	0.7
99.48003	0.6
103.05476	6.4
104.57150	0.5
105.07037	1.0
107.04951	3.0
111.00641	0.6
112.93587	0.7
117.07015	0.8
121.00741	0.9
124.00843	0.8
131.04927	48.4
131.08545	0.7
139.01782	0.9
144.02371	1.1
145.10149	1.2
147.08038	0.7
151.03894	3.4
153.01826	77.8
157.10049	0.7
159.11633	0.8
162.03421	1.5
171.02843	1.1
173.05968	1.2
185.13283	1.0
191.06952	1.0
206.03520	2.2
207.52820	6.6
215.04012	8.9
215.07130	1.2
216.53354	1.1
219.03662	0.7
226.54800	0.9
227.35754	0.8
239.17902	0.7
257.08069	100.0
257.18958	3.9
267.34424	0.6
270.63412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34263	0.3
65.43991	0.3
85.06532	0.6
109.02786	0.4
121.06536	0.7
137.05962	0.6
177.09070	1.2
229.09689	4.0
257.12827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12406	0.2
80.95682	0.3
85.98681	0.3
89.62337	0.3
100.55995	0.3
108.81405	0.3
122.05419	0.3
135.60699	0.3
179.75902	0.3
229.09695	3.7
246.28264	0.3
257.12830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05504	1.1
56.13485	1.1
56.45662	1.0
57.03437	2.1
60.23658	1.1
65.03961	1.4
67.05494	6.9
69.07056	2.0
79.05496	1.4
81.07055	7.7
86.54074	1.2
92.05030	1.5
94.06550	1.5
95.08598	9.7
112.89960	1.3
117.07021	1.4
120.04446	2.2
122.06042	3.1
124.56838	1.5
129.07040	1.9
131.08556	3.3
133.10086	1.8
141.06984	1.9
143.08574	2.0
145.10138	9.7
157.10153	2.4
159.11751	2.7
160.07617	2.1
168.08098	1.8
168.70335	1.3
169.08864	2.3
169.10164	2.6
171.11665	1.6
173.13292	2.9
183.11768	2.5
184.07526	2.4
184.11227	7.7
185.13362	5.5
186.11504	2.9
187.08795	2.4
188.10751	1.6
197.08438	6.6
197.13315	2.3
200.09465	10.4
201.10258	2.1
201.13889	14.6
211.08707	2.7
212.10748	17.3
213.06458	5.2
214.10835	10.0
227.08211	3.1
228.08929	11.4
229.09821	21.1
229.13329	74.3
239.17970	3.1
240.10123	2.1
241.09778	3.0
242.10477	16.8
257.12848	100.0
257.19122	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1281
Annotation	Albonoursin
Peak:m/z	Relative Intensity
51.53997	2.0
55.05515	3.5
62.41959	2.1
62.55596	2.4
67.05506	11.7
67.08080	2.2
69.07055	3.1
79.05499	3.9
81.07059	10.2
83.04979	2.9
91.05479	5.3
92.04954	3.2
93.07030	3.2
95.08611	13.6
95.40759	2.3
96.89278	2.4
97.06503	4.4
97.08016	2.5
99.74285	2.3
105.07040	9.5
105.07751	2.0
107.08599	4.4
109.10127	5.5
110.67275	2.2
117.07053	2.5
119.08580	5.3
120.04448	3.2
129.06979	4.7
129.87901	2.4
131.08560	100.0
133.10164	3.0
143.08525	12.2
145.10104	43.7
147.08060	2.8
157.10132	23.6
159.11703	22.6
169.10060	4.9
171.11635	11.2
173.13283	4.9
183.11671	9.8
184.11169	5.9
185.13248	5.9
186.11604	2.8
187.08809	4.9
197.08272	3.5
197.13274	11.7
198.05525	3.2
199.14850	5.0
200.09467	10.7
201.13953	5.9
208.25136	2.8
212.10684	14.7
213.06577	5.1
213.10310	2.4
214.07347	4.9
225.61566	2.4
227.08136	4.6
228.08899	20.2
229.09853	17.0
229.13379	53.4
239.08391	2.5
239.17924	14.7
240.10081	5.3
241.09683	3.9
242.10486	34.4
257.09079	10.9
257.12866	87.5
257.19168	51.4
257.22546	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.13485	1.1
56.45662	1.0
57.03437	2.1
60.23658	1.1
65.03961	1.4
67.05494	6.9
69.07056	2.0
79.05496	1.4
81.07055	7.7
86.54074	1.2
92.05030	1.5
94.06550	1.5
95.08598	9.7
112.89960	1.3
117.07021	1.4
120.04446	2.2
122.06042	3.1
124.56838	1.5
129.07040	1.9
131.08556	3.3
133.10086	1.8
141.06984	1.9
143.08574	2.0
145.10138	9.7
157.10153	2.4
159.11751	2.7
160.07617	2.1
168.08098	1.8
168.70335	1.3
169.08864	2.3
169.10164	2.6
171.11665	1.6
173.13292	2.9
183.11768	2.5
184.07526	2.4
184.11227	7.7
185.13362	5.5
186.11504	2.9
187.08795	2.4
188.10751	1.6
197.08438	6.6
197.13315	2.3
200.09465	10.4
201.10258	2.1
201.13889	14.6
211.08707	2.7
212.10748	17.3
213.06458	5.2
214.10835	10.0
227.08211	3.1
228.08929	11.4
229.09821	21.1
229.13329	74.3
239.17970	3.1
240.10123	2.1
241.09778	3.0
242.10477	16.8
257.12848	100.0
257.19122	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
64.34263	0.3
65.43991	0.3
85.06532	0.6
109.02786	0.4
121.06536	0.7
137.05962	0.6
177.09070	1.2
229.09689	4.0
257.12827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45863	0.7
55.01873	0.8
57.03458	5.4
61.72432	0.7
70.99232	0.7
75.04482	3.4
79.05475	0.8
80.78779	0.6
83.42757	0.6
83.79075	0.8
105.07042	23.7
107.04958	1.3
109.06520	0.8
122.03637	0.8
133.06496	56.9
135.08060	0.7
137.05983	100.0
147.08049	0.8
159.75562	0.7
163.07535	5.9
165.09103	26.7
175.07571	4.8
181.08611	1.0
182.09395	0.9
183.10184	4.9
187.43665	0.8
201.13763	0.8
221.11758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70819	1.2
53.76866	1.0
54.87358	1.2
55.05514	5.5
57.03451	15.1
67.05508	37.3
69.07066	19.5
71.04987	6.3
79.05495	6.0
79.65224	1.3
81.07064	85.7
83.04968	2.2
83.08610	6.7
85.06544	18.9
91.05470	7.4
93.07050	5.5
95.08608	100.0
97.06532	2.7
97.10157	2.4
99.08085	3.1
102.25208	1.3
105.07034	10.5
107.08601	2.3
109.06543	1.8
109.10223	1.7
117.07006	2.6
119.08588	8.5
121.00824	2.0
121.10130	5.3
123.11721	2.6
131.08574	9.1
135.11691	2.1
137.13203	2.5
139.01801	3.0
144.02415	3.1
145.10156	12.6
147.11694	16.1
157.10136	3.1
159.11656	9.7
162.03444	2.0
165.12732	8.2
171.11711	5.4
173.13252	2.2
179.50922	1.6
183.11700	3.2
183.13834	5.9
185.13231	1.9
197.13287	2.7
201.14803	3.2
204.43140	1.4
212.10814	1.7
228.09122	2.1
229.09686	1.7
229.13373	7.1
239.17911	7.0
242.10486	2.5
252.80859	1.6
257.12885	9.8
257.17209	57.2
257.21722	2.4
257.22836	1.8
260.29025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1858
Annotation	Paecilopeptin
Peak:m/z	Relative Intensity
52.22762	0.2
55.00665	0.3
58.06598	1.8
63.06343	0.2
68.60503	0.3
75.44865	0.2
75.69972	0.3
77.26496	0.3
84.08135	1.8
103.55295	0.3
116.10720	1.2
128.10706	1.5
155.11737	0.6
174.55466	0.4
189.56152	0.3
211.18044	34.9
212.12749	0.6
212.56168	0.4
257.18579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29797	0.2
57.39662	0.2
58.06599	1.3
66.14603	0.2
66.42612	0.2
70.06573	0.5
84.08134	1.3
116.10741	0.2
128.10809	0.3
174.55431	0.4
177.56020	0.3
203.55655	0.2
205.09209	0.4
211.02690	0.3
211.18053	14.9
212.56334	0.5
229.09741	3.8
235.09178	0.2
242.08020	0.3
253.79677	0.2
257.10187	5.8
257.12817	100.0
257.18561	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.56941	2.8
51.14725	2.8
57.03445	6.0
64.88551	3.3
67.05512	13.7
69.07076	3.3
74.60064	3.0
75.38844	2.8
78.99691	3.3
81.07054	14.1
83.08597	4.9
91.05473	4.4
93.07043	5.2
95.08591	16.3
99.45159	3.5
105.07037	8.0
109.64735	3.0
117.06999	17.1
119.08581	4.7
121.10089	5.1
129.07005	5.2
131.08571	37.2
133.10146	6.3
143.08589	16.9
145.10127	59.0
147.11644	4.6
155.08601	5.7
157.10141	24.2
159.11729	37.3
169.10136	14.9
170.50002	4.3
171.11681	12.0
173.13203	12.4
173.24210	3.4
183.11754	7.3
185.13252	21.1
197.13260	12.2
199.14822	6.2
201.16417	5.1
239.17909	20.6
257.18991	100.0
257.22781	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.43932	1.3
50.48859	1.1
53.47636	1.2
55.05503	2.8
57.03431	3.6
67.05502	8.7
69.07066	3.6
71.04990	1.4
79.05479	6.6
81.07072	12.1
83.08609	3.0
85.06542	2.2
91.05460	3.0
93.07064	12.2
95.08594	8.4
99.08087	2.4
104.97131	1.3
105.07030	12.7
107.08591	10.2
109.06538	2.7
109.10126	8.2
111.08118	1.5
113.83643	1.5
115.53294	1.4
117.07000	9.6
117.98069	1.3
119.08608	11.1
121.10143	36.0
128.86090	1.4
129.06972	3.7
131.08577	24.9
133.10127	9.5
135.08043	8.4
137.09724	1.5
139.01720	2.3
143.08600	16.1
144.02412	1.5
145.10121	44.1
147.11650	2.2
155.08580	2.2
157.10107	24.2
159.11696	28.6
162.03387	2.3
163.11235	2.7
169.10068	8.0
171.11658	10.8
173.09560	2.3
173.13286	17.0
175.11157	2.1
183.11737	16.4
185.13258	19.9
187.11172	2.2
187.14850	3.6
197.13174	11.0
199.14842	19.4
201.12822	2.5
211.14815	2.9
213.16400	7.0
215.18036	6.8
229.19609	2.1
239.17900	20.6
257.12958	5.4
257.18979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.6
55.44458	1.2
57.03440	7.7
64.62015	1.4
64.91834	1.4
67.05491	8.8
67.09946	1.6
69.07061	7.5
69.80331	1.3
79.05490	2.9
81.07056	11.4
83.08633	2.5
85.06545	1.9
91.05478	6.9
93.07027	6.1
95.04941	1.9
95.08613	10.2
105.07034	12.4
107.08573	9.1
109.06487	1.5
109.10186	3.3
117.07011	22.0
119.08600	10.8
121.10149	15.4
123.76491	1.5
129.07013	17.4
131.08551	33.8
133.10132	7.6
135.08060	1.8
135.11699	2.3
139.01881	1.6
141.07022	7.1
143.08548	18.4
145.10132	46.3
147.08087	2.1
147.11705	6.0
149.09622	1.9
155.08530	6.7
157.10109	26.0
159.07983	1.5
159.11690	46.3
161.13231	2.5
169.10109	14.2
171.11720	19.4
173.13261	19.3
175.11221	2.3
175.14807	1.6
183.11664	19.3
185.13249	46.7
187.11203	3.2
197.13260	14.7
198.23866	2.0
199.14725	10.2
201.12743	2.9
201.16400	2.5
213.16386	7.5
215.17987	2.2
239.17905	35.8
257.18979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05524	5.0
57.03441	3.6
63.10999	1.9
65.80862	1.8
67.05510	22.9
67.11025	2.3
69.07063	9.2
75.11530	2.0
79.05505	5.0
81.07073	22.0
83.08636	8.6
91.05488	9.9
93.07048	5.0
95.08599	22.8
105.07042	11.1
107.08588	8.7
109.10164	5.4
117.07001	18.5
119.08587	12.6
121.06493	5.4
121.10146	8.4
129.07021	13.8
131.08582	44.6
133.10121	10.2
139.07652	2.4
143.08539	14.6
145.10117	67.1
147.11673	11.2
155.08524	9.1
157.10165	18.7
159.11678	30.7
161.09503	2.4
161.13190	2.5
165.12646	2.3
169.10106	13.4
171.11731	17.4
173.09624	3.9
173.13254	18.5
183.11691	21.1
185.13295	20.8
187.11247	4.3
196.13863	2.1
197.13258	19.5
199.14825	11.3
201.16415	3.7
211.14862	3.2
213.16266	2.8
215.14349	4.2
229.13356	8.0
229.19612	3.2
239.17937	24.2
257.07977	3.3
257.12817	10.8
257.19073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.18394	2.3
55.04503	2.5
55.05520	4.8
58.22371	2.6
58.99252	2.4
59.52148	2.7
67.05516	31.0
68.09575	2.4
69.07063	5.8
71.85217	2.6
79.63299	2.6
81.07079	24.2
83.08606	3.7
85.06549	3.1
91.05476	15.1
93.07041	5.4
95.08619	14.6
104.58745	3.1
105.07037	14.5
107.08615	3.3
109.10177	4.6
117.07014	37.2
119.08568	6.5
121.10133	16.5
128.06264	3.0
129.07011	41.9
131.08560	86.1
131.09474	5.0
133.10126	14.5
135.08080	5.2
141.06989	15.1
143.08559	36.2
145.10124	90.6
147.11716	3.1
155.08562	13.6
157.10138	38.1
159.11679	70.2
169.10144	19.0
171.11710	52.7
173.13242	35.0
175.11224	3.8
183.11679	52.8
185.13257	11.3
197.13210	31.8
199.11339	3.1
199.14761	9.9
211.14825	3.3
213.16272	2.9
229.19621	3.4
233.13625	3.3
239.17897	59.2
240.09583	5.0
257.18982	100.0
257.26660	17.6
260.50903	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
55.83489	1.6
57.03428	1.7
57.91906	1.4
67.05508	17.9
69.07061	3.5
75.04772	1.7
79.05497	3.8
81.07056	22.5
83.08611	8.8
85.06491	1.9
91.05482	10.3
91.36478	1.8
93.07032	18.6
95.08611	29.1
96.58947	1.6
97.06510	1.7
98.61596	1.7
105.07018	20.4
106.03644	1.8
107.08617	18.9
109.10153	19.6
110.70701	1.7
115.05407	1.7
117.07021	15.4
119.08575	14.8
121.10154	15.4
123.11714	3.8
128.06216	1.9
129.07004	11.1
131.08568	51.2
133.10156	11.8
135.11668	14.7
141.06975	2.1
143.08572	18.8
145.08965	3.3
145.10123	96.8
147.11697	12.9
149.13248	12.5
155.08521	3.8
157.10106	22.8
159.11671	41.1
160.15210	2.0
160.82790	1.8
161.13237	13.2
163.14795	10.7
169.10147	9.1
171.11639	16.9
173.13254	32.5
175.14818	8.4
183.11603	15.2
185.13290	19.5
187.14830	11.9
197.13220	13.8
199.14925	3.5
201.16365	23.2
215.17938	8.0
229.19484	8.4
239.17911	21.6
257.12976	2.8
257.15289	2.4
257.15906	2.5
257.18985	69.7
257.22620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54387	1.4
54.90853	1.4
55.05521	2.8
65.58159	1.5
67.05518	3.5
69.07085	2.1
79.05489	2.6
81.07064	15.3
83.08632	2.3
91.05482	3.4
91.36240	1.4
93.07056	15.0
95.08618	20.8
99.95954	1.7
105.07053	8.5
107.08585	17.9
109.10165	19.8
119.08579	13.3
121.10161	25.8
123.11706	8.0
131.08545	3.1
133.10149	12.7
135.11703	22.6
144.02415	1.9
145.10107	12.8
147.11684	18.1
149.13258	14.8
151.17950	1.8
159.11676	8.2
161.13249	17.3
163.14832	5.9
169.10123	1.5
171.11732	2.1
173.13274	9.1
175.14836	6.8
183.11723	1.8
185.75137	1.6
187.14816	16.3
201.16420	18.8
215.17975	3.3
257.19156	8.7
257.22638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0759
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
60.04517	0.5
60.84225	0.3
63.41048	0.4
69.03409	0.5
69.34866	0.3
72.08084	0.3
81.03391	0.4
84.08144	0.4
85.02882	0.4
104.10766	0.7
107.40539	0.4
129.10266	0.5
166.06535	0.9
167.04872	0.4
184.07648	2.7
185.05942	0.7
194.06006	4.4
212.05150	0.7
212.07068	14.4
234.98959	0.8
243.05254	1.4
249.90889	0.4
258.07562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.11
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
50.78080	0.3
55.06318	0.3
56.01440	0.3
60.08167	6.0
71.07359	0.7
79.28844	0.3
80.34194	0.3
84.08160	0.5
85.02897	0.7
86.09707	12.2
87.04461	0.8
95.06067	0.4
96.04494	0.9
98.98438	0.6
101.00896	0.8
101.19622	0.3
103.02453	0.5
104.10745	100.0
108.90974	0.5
110.07176	1.7
119.01913	3.1
125.00005	17.9
127.02434	0.5
129.10277	1.4
142.08678	0.4
144.98836	0.4
145.03474	7.1
154.08777	0.5
155.08167	0.7
163.04544	2.2
172.11880	0.4
184.07315	12.0
189.02489	2.2
212.14023	3.1
217.01997	2.5
222.11305	0.5
226.30762	0.4
231.40302	0.4
235.03024	0.8
240.12419	1.6
258.11099	21.6
258.13858	4.1
265.89130	0.4
272.99475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
55.14850	0.3
57.11729	0.3
58.06599	0.4
60.21629	0.3
70.06593	0.5
72.08151	0.3
84.08135	0.5
86.06010	0.3
86.09718	0.5
137.09578	0.4
172.38864	0.3
185.85695	0.3
197.08339	0.6
200.06989	0.6
213.07858	0.3
214.08626	24.9
222.14830	0.4
226.08662	0.5
228.06491	0.7
242.08095	17.7
243.08896	39.3
258.11218	100.0
258.16678	2.3
263.70187	0.3
275.58545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11482	1.0
57.59397	1.1
61.25903	1.1
61.98045	1.0
64.07136	1.1
70.06580	1.4
83.29325	1.2
84.88701	1.2
91.05460	2.1
93.07034	1.6
97.02887	2.0
98.06010	2.5
104.10738	1.7
107.04954	100.0
107.07469	1.1
111.04435	3.0
116.07114	3.1
118.06531	44.4
121.06503	24.8
122.05999	6.3
131.04935	2.6
135.04407	5.9
138.05478	5.9
142.04980	4.9
142.08597	1.7
143.05785	2.1
146.06003	97.5
147.04433	5.9
151.83197	1.3
152.07060	89.4
162.05458	3.1
164.07043	81.6
195.08035	5.9
212.12987	1.2
216.97890	1.2
223.07535	18.0
234.98953	15.9
240.08672	2.1
241.08548	26.7
244.41884	1.3
258.00555	2.1
258.07190	2.8
258.11227	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
51.51606	0.3
60.28973	0.2
74.02430	1.3
106.07370	0.7
107.60017	0.3
109.10149	0.3
133.06509	1.4
134.06819	2.4
137.05963	2.8
138.06339	3.4
144.08095	16.4
156.08234	0.3
166.09468	0.4
194.15474	0.3
200.07025	0.3
212.16536	0.6
214.08626	21.6
217.09673	3.9
226.08661	1.3
228.06514	1.0
229.07385	0.3
234.98961	0.7
242.08116	15.5
243.08910	37.0
258.11243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51606	0.3
60.28973	0.2
74.02430	1.3
106.07370	0.7
107.60017	0.3
109.10149	0.3
133.06509	1.4
134.06819	2.4
137.05963	2.8
138.06339	3.4
144.08095	16.4
156.08234	0.3
166.09468	0.4
194.15474	0.3
200.07025	0.3
212.16536	0.6
214.08626	21.6
217.09673	3.9
226.08661	1.3
228.06514	1.0
229.07385	0.3
234.98961	0.7
242.08116	15.5
243.08910	37.0
258.11243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51606	0.3
60.28973	0.2
74.02430	1.3
106.07370	0.7
107.60017	0.3
109.10149	0.3
133.06509	1.4
134.06819	2.4
137.05963	2.8
138.06339	3.4
144.08095	16.4
156.08234	0.3
166.09468	0.4
194.15474	0.3
200.07025	0.3
212.16536	0.6
214.08626	21.6
217.09673	3.9
226.08661	1.3
228.06514	1.0
229.07385	0.3
234.98961	0.7
242.08116	15.5
243.08910	37.0
258.11243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
52.96747	0.3
53.65332	0.3
56.49616	0.4
56.98313	0.4
57.03443	0.4
59.32746	0.3
67.05514	0.5
72.01205	0.4
79.05499	2.7
80.91438	0.4
81.07053	1.5
82.07386	0.7
86.06070	1.0
86.90150	0.4
88.87012	0.5
95.08614	1.0
96.08945	0.9
96.45255	0.4
103.05486	1.7
105.07037	100.0
112.30013	0.4
166.04968	0.6
166.51251	0.4
258.07721	2.3
258.11246	8.8
258.13617	0.5
258.17963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89199	0.6
54.96569	0.6
69.03404	1.3
74.06069	3.3
84.04510	4.1
84.08146	10.4
86.09684	0.9
87.04471	16.2
97.02884	3.4
98.06058	0.9
99.04470	5.1
108.04477	0.9
108.08102	1.5
111.11977	0.7
112.03951	1.7
119.01911	0.8
124.07618	1.3
126.05517	4.2
129.10240	19.7
129.49789	0.7
130.04955	1.4
132.10204	0.9
136.07642	0.7
142.08638	12.7
143.05801	1.2
145.03423	1.0
150.09155	1.5
154.08624	18.9
160.09677	5.6
164.10703	0.8
170.08133	0.8
172.09654	4.1
210.11301	0.8
212.12801	1.5
217.01895	1.1
222.11258	15.3
240.12268	30.9
249.67201	0.8
258.13348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15825	0.8
55.49536	0.9
57.08159	0.8
60.41343	0.8
69.03442	1.4
69.07040	1.2
70.06557	1.0
73.02906	1.6
74.06049	1.1
81.03416	3.7
82.22972	1.0
84.04496	1.3
84.08138	7.8
86.09697	5.5
87.04462	9.1
88.89297	1.1
96.04484	2.1
97.02890	13.2
98.06030	1.3
99.04427	2.5
108.04460	5.2
108.08132	1.1
108.54730	0.9
111.04436	1.0
112.03957	8.4
112.27583	1.1
113.06038	1.8
116.07101	1.2
124.07540	1.4
126.05518	10.6
126.09100	1.2
128.07086	4.4
129.10258	12.3
138.05521	1.3
142.08627	5.4
143.05812	8.6
154.08617	7.3
160.09673	2.4
164.10690	9.8
166.04964	1.3
168.10173	2.4
180.10260	1.3
182.11748	2.5
194.08307	1.2
194.11765	1.5
205.38835	1.1
208.09694	4.7
210.11177	10.6
212.12750	17.2
222.11266	10.6
223.93095	1.0
226.10721	25.0
234.98940	5.1
240.08716	1.6
240.12224	17.9
258.00558	1.9
258.09869	6.5
258.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51524	0.8
56.03976	0.8
61.95905	0.9
62.38598	0.8
63.23476	0.8
63.47117	1.0
65.17278	0.8
65.37695	0.8
66.07174	0.8
74.32461	0.9
84.08145	1.7
87.04458	6.3
95.11067	0.9
110.06001	1.8
112.03953	1.3
113.05996	11.7
126.05407	1.1
128.07069	11.9
129.10242	4.6
140.07060	5.1
142.08661	4.2
143.05803	1.2
145.03452	3.9
150.09122	1.5
154.08615	7.9
160.09671	1.8
163.55161	1.2
164.10690	2.5
180.06561	4.6
180.10155	7.3
182.11737	1.2
189.02498	1.3
191.87663	1.0
194.11664	1.1
208.09662	13.9
212.12852	1.6
222.07758	1.1
222.11206	6.3
226.10732	61.9
234.99072	1.4
240.12315	16.5
258.13361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	0.7
57.03434	0.5
57.06652	0.4
60.27243	0.4
61.02928	0.7
67.30915	0.5
69.03416	1.1
70.06591	1.1
73.02902	3.6
81.03426	0.8
82.03723	0.6
82.06590	0.7
83.04983	0.7
84.04041	0.9
84.04507	17.8
84.08147	60.9
84.14911	0.5
85.02897	1.3
86.09690	1.1
87.04430	0.9
97.02874	1.1
100.07596	0.6
101.10786	1.3
104.10751	4.1
108.04481	9.8
110.06052	1.1
111.82060	0.5
113.02360	0.9
114.02688	0.6
125.00009	0.6
126.04588	0.8
126.05515	22.7
127.03909	0.5
128.04216	0.7
128.07085	0.7
129.10240	100.0
130.04990	7.1
139.06444	0.6
143.05759	0.6
150.06781	1.0
162.06720	0.9
164.07048	4.4
187.10776	1.0
195.11308	2.6
203.92082	0.6
226.10677	4.1
234.99001	1.0
240.13348	2.7
241.11842	0.7
258.07422	0.8
258.09967	1.0
258.13516	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2062
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
51.21158	1.1
52.84667	0.9
55.05519	5.4
57.07079	5.7
58.51029	1.2
67.05507	7.6
69.07077	12.6
71.08627	6.2
79.05501	2.8
81.07057	10.8
83.08642	10.9
85.06527	1.2
85.10184	2.2
86.06085	1.4
92.28883	1.1
93.07043	6.3
94.44315	1.3
95.08610	27.5
97.06512	5.7
97.10187	16.9
98.35563	1.2
100.07620	2.6
107.08585	7.0
109.10168	8.5
110.09692	2.7
111.08079	2.1
111.11722	1.9
114.09187	2.4
121.10143	15.8
124.11221	5.9
125.09641	1.6
128.10709	2.2
135.11781	9.0
135.12637	1.9
138.12775	6.8
139.11171	1.3
141.63182	1.1
152.14406	5.2
177.16408	13.0
185.61424	1.2
187.14822	2.2
193.25073	1.2
194.19028	22.7
195.17456	2.8
200.17000	1.1
200.69460	1.2
204.17513	1.3
212.20145	2.4
222.18518	2.2
240.19562	100.0
254.99574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2425
Annotation	Andrachamine
Peak:m/z	Relative Intensity
51.26571	1.2
57.07086	19.8
58.06606	1.3
62.06093	11.3
71.08625	9.8
72.04532	15.3
73.44345	1.3
85.10153	2.2
86.06060	2.0
86.09695	3.5
104.10749	40.6
125.00029	7.7
154.57236	1.7
158.58771	1.6
184.07375	7.8
195.94684	1.8
212.23723	11.3
230.24776	100.0
240.23204	33.7
247.66708	1.8
258.10922	6.7
258.24271	60.6
260.30267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	11.3
58.06588	2.2
62.06093	10.2
66.67998	0.5
71.08635	7.5
73.67316	0.4
73.79865	0.4
74.44617	0.5
79.69103	0.5
85.10156	3.7
98.45887	0.6
240.26817	7.5
249.66049	0.6
258.27911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62278	0.4
57.07083	11.1
58.06595	0.9
61.05004	0.5
62.06096	10.5
71.08639	6.0
73.67403	0.5
77.60255	0.5
81.13205	0.5
85.10178	2.8
111.61026	0.6
171.59441	0.6
224.83850	0.6
240.26785	8.4
251.91220	0.6
251.98851	0.6
258.07468	0.5
258.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	9.0
58.06597	1.3
62.05797	0.5
62.06097	10.5
71.08617	5.2
85.10168	3.3
97.23820	0.6
117.63544	0.5
137.12566	0.5
179.92799	0.6
240.26828	6.9
253.16689	0.6
258.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	9.5
58.06603	2.4
61.95726	0.4
62.06097	11.0
67.56490	0.4
71.08639	6.4
83.41855	0.5
85.10165	3.1
90.75761	0.5
104.10728	2.5
106.07227	0.5
113.11167	0.4
135.73378	0.5
240.26874	8.1
251.42653	0.6
258.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97986	23.4
66.46918	22.0
93.83304	21.7
98.97586	100.0
100.88795	23.3
105.75176	21.8
193.97292	27.2
198.63731	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90762	2.9
52.84038	3.0
54.08184	3.3
69.03443	3.9
72.04487	4.1
80.05004	5.8
81.03412	42.1
82.02932	3.7
83.05003	4.7
84.04502	9.3
84.08143	4.4
87.05592	62.3
95.04973	15.4
96.04486	21.2
97.02882	52.2
108.04484	45.1
110.06035	6.1
112.03931	16.6
120.04432	8.3
122.06029	68.7
124.03912	5.6
126.05508	9.1
134.05968	9.0
138.05499	17.7
143.05800	15.5
148.04015	4.3
150.05492	36.7
152.03415	41.8
152.07030	15.8
154.04947	40.7
165.06581	23.7
166.04977	43.3
167.08121	4.9
178.05022	8.3
194.04506	66.7
195.07663	16.3
195.17735	4.4
196.06044	7.3
197.09229	18.5
200.05450	7.5
208.82040	4.3
211.05316	6.3
211.07140	100.0
213.08687	8.9
259.02094	6.7
259.09229	37.4
259.13062	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50995	10.0
56.78300	9.6
66.11457	9.1
67.53654	9.3
79.17742	9.4
81.03415	48.6
84.04562	14.3
84.15881	10.6
85.02974	12.2
87.05598	53.2
96.04471	18.0
97.02890	63.5
101.41077	11.1
108.04473	60.5
112.03945	16.0
114.81887	11.2
122.06037	87.9
138.05499	11.1
146.88898	12.0
148.03932	20.9
150.05519	65.9
152.03458	51.7
154.04965	52.1
156.06590	21.5
165.06641	18.7
166.04956	22.4
178.04965	21.4
181.48537	11.3
193.06213	12.3
194.04483	81.2
195.07658	15.0
211.07140	100.0
259.02246	18.3
259.09348	28.7
259.13040	23.9
262.24475	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58734	2.4
63.62273	2.7
69.03427	4.9
70.02960	3.4
72.04520	4.8
73.02929	4.3
80.04993	2.9
81.03431	33.4
82.02951	5.3
83.04995	5.8
84.04521	18.0
84.08155	6.2
84.25226	3.2
87.05598	52.3
95.04977	28.4
96.04500	30.7
96.78564	3.3
97.02898	43.5
99.04448	4.9
100.03958	3.7
106.06561	4.7
108.04482	62.2
108.58451	3.2
109.02901	3.7
110.06049	17.5
112.03960	19.6
112.05100	3.2
113.05444	5.4
120.04472	12.6
122.02399	11.5
122.06017	64.3
126.05541	15.6
134.06018	18.0
136.03964	4.0
138.05489	18.8
143.05786	12.9
144.06625	4.1
148.03891	11.0
150.05516	36.7
152.03459	30.8
152.07109	13.4
154.04993	35.9
156.06589	13.2
159.05025	3.7
163.08615	6.6
165.06616	18.0
166.04976	41.9
167.08150	13.8
168.06496	4.1
177.10268	4.4
178.04982	21.3
179.08180	3.4
182.04366	3.3
194.04504	74.1
195.07631	14.5
196.06070	4.0
197.09213	22.9
200.05589	12.5
205.09705	12.2
211.07164	100.0
213.08751	4.1
223.10703	3.1
241.05647	4.3
241.08076	5.2
241.11838	6.7
250.46211	3.1
259.09302	47.1
259.12894	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76437	0.3
58.06593	1.6
85.02998	0.4
85.93444	0.4
97.02872	1.4
117.26696	0.3
121.06515	0.5
128.87088	0.3
132.04448	0.7
136.06136	0.3
141.07014	0.6
148.07535	0.4
149.86319	0.3
158.06021	3.7
168.08064	0.4
170.09644	3.4
172.07570	2.6
174.75879	0.4
180.08047	3.3
183.06770	4.2
185.05936	0.7
186.09135	2.5
196.07542	0.6
197.10735	11.7
198.09140	100.0
201.05496	0.6
213.05486	0.6
215.11798	36.4
231.06566	1.3
259.05966	2.6
259.10849	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
55.05516	1.3
59.36871	1.1
70.06593	1.8
72.08159	1.8
74.02446	100.0
81.03404	5.1
84.04507	85.8
84.08150	9.3
86.09715	6.2
87.05602	5.1
95.04965	2.3
97.02891	6.5
99.04458	5.0
102.05541	5.0
106.92216	1.7
108.04507	2.9
110.06041	1.3
110.07172	1.5
113.06014	2.9
122.06036	5.8
128.07092	1.4
130.05002	58.3
130.08640	40.3
139.22675	1.1
150.05498	2.9
150.09140	15.6
152.03453	1.7
154.04971	1.3
161.01512	1.2
165.06590	2.3
166.04982	4.9
169.08582	2.1
182.04340	1.7
185.40327	1.3
194.04449	5.1
196.09662	22.2
197.09163	2.6
207.08519	1.2
211.07164	6.6
213.05388	1.7
241.11836	2.1
242.10231	6.7
259.07263	2.3
259.09848	2.0
259.12891	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1693
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
50.93110	2.4
52.83431	2.4
53.17199	2.4
55.05504	4.1
56.53828	3.1
57.07071	3.5
60.10778	2.7
61.24157	2.6
63.28536	2.6
64.08566	3.5
67.05515	22.3
69.07074	13.0
70.74794	2.9
79.05503	18.0
81.07069	43.3
83.05004	5.4
85.06527	3.1
87.11422	3.0
88.08769	3.0
90.04047	2.6
91.05480	33.9
93.07050	20.6
95.04964	4.0
95.08612	18.3
97.06547	4.2
105.07046	45.7
107.08642	24.6
109.06556	4.3
109.10136	12.1
117.07018	19.9
119.08570	45.3
121.10136	15.0
123.11678	3.5
125.05981	16.0
129.06911	10.2
131.08589	41.7
133.10130	43.4
135.08076	7.9
135.11629	24.3
137.05954	28.5
143.08575	17.4
145.10136	26.4
147.08090	4.1
147.11691	46.3
148.94850	3.9
149.09651	5.6
157.10110	24.8
159.11713	45.9
161.09630	7.9
161.13199	11.5
163.11208	3.8
171.11627	28.8
173.13268	28.1
175.11160	13.3
175.14784	3.3
177.09097	4.6
185.13271	23.7
197.13240	6.2
199.14822	5.8
201.16313	6.1
213.16350	29.8
217.15944	3.5
223.14786	23.9
241.15878	56.5
241.19504	23.5
246.06905	3.3
259.16962	64.5
259.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	(S,S)-traseolide
Peak:m/z	Relative Intensity
50.25447	2.6
50.83376	2.9
55.05520	5.1
57.03444	4.9
64.02806	2.8
64.77348	3.1
67.05507	7.3
69.07083	3.9
70.99121	3.6
71.08630	6.5
79.05487	20.0
81.07076	15.4
83.08603	8.3
85.17243	3.0
89.36395	4.5
91.05483	19.0
91.92934	3.7
93.07043	16.3
95.08601	12.6
97.10185	4.4
99.08102	6.4
105.07025	55.4
107.08588	5.1
109.10221	4.7
114.88822	3.7
117.07007	19.4
119.08590	18.7
121.10133	16.2
129.07028	14.0
131.08569	16.4
133.10117	15.5
137.32619	4.2
143.08545	17.2
145.10117	32.8
147.11684	31.7
157.10118	8.6
159.11649	16.6
161.13226	38.0
171.11642	8.3
173.13251	17.2
175.11179	5.9
175.14864	5.8
185.13263	18.5
189.12801	4.3
199.14854	20.5
213.16435	4.4
241.19479	42.1
252.80876	3.6
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25336	1.6
55.05511	8.6
55.85084	1.7
57.07087	14.4
58.07421	2.1
62.06095	1.8
65.13516	1.8
67.05515	4.0
69.07059	8.8
71.08594	4.2
72.04533	2.4
73.06307	1.9
79.05495	7.6
81.07059	11.5
83.08637	14.4
86.59756	1.8
91.05474	18.3
93.07056	7.8
93.24614	1.8
95.08597	4.0
99.08105	8.6
105.07035	100.0
107.08620	3.7
111.08059	2.4
111.84217	1.8
117.07043	21.0
119.08582	12.6
121.06454	3.0
126.20661	1.9
128.06209	1.9
129.07014	25.2
131.08568	28.7
133.06479	4.2
133.10117	7.4
135.90633	1.9
143.08562	44.7
145.10118	15.7
147.11696	59.4
151.61804	1.9
157.10095	14.3
159.11710	11.9
161.13252	65.8
163.11134	2.7
171.11687	14.5
173.13242	50.6
175.14822	4.1
185.13274	26.5
187.14761	7.5
189.12755	31.5
199.14816	32.9
213.16391	3.2
231.25116	24.1
241.19501	49.2
241.23566	10.5
248.30362	2.2
259.16730	2.0
259.20575	74.2
259.24533	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	(S,S)-traseolide
Peak:m/z	Relative Intensity
57.07087	4.2
59.23395	2.5
67.05499	12.2
69.07062	4.8
79.05499	4.7
81.07056	16.4
83.08636	4.8
90.70524	2.7
91.05479	19.6
93.07039	16.9
95.08617	13.0
105.07038	30.7
107.08552	3.0
109.10148	4.1
117.07064	22.7
119.08604	25.1
121.10132	12.8
129.07033	7.6
131.08585	20.3
133.10098	25.4
143.08601	5.1
144.89835	3.4
145.10136	13.7
147.11708	21.4
157.10161	17.3
159.11679	33.8
161.13251	13.7
171.11679	18.0
173.13203	27.5
175.14772	6.2
184.90979	3.5
185.13263	21.0
189.12732	4.0
199.14778	6.3
241.19502	33.6
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05502	4.2
57.07090	5.1
62.24279	3.0
63.30222	3.5
63.58865	3.1
64.99712	3.6
67.05492	5.0
69.07073	9.1
71.08633	4.5
72.93265	3.7
79.05477	4.7
81.07067	8.8
82.15882	3.8
83.08633	4.3
88.20737	4.1
91.05487	23.4
93.07052	8.4
95.08598	15.0
105.07031	95.8
105.92947	4.5
109.10172	5.1
117.07005	24.6
119.08562	25.8
121.10164	4.4
129.07004	32.8
131.08563	41.4
133.10129	17.4
143.08586	47.9
145.10136	16.1
147.08037	5.0
147.11697	50.7
157.10117	20.7
159.11586	6.2
161.13234	71.4
171.11702	20.7
173.13284	41.4
174.12135	4.1
185.13303	32.4
187.14830	5.0
189.12698	6.0
199.14874	25.7
241.19531	66.8
259.20535	100.0
259.28217	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99643	1.0
55.05518	5.7
66.81733	1.1
66.90270	1.2
67.05510	6.8
69.07073	21.1
70.64944	1.0
71.04992	17.7
75.92666	1.1
79.05499	5.0
81.07060	14.1
82.74133	1.3
83.04996	2.7
83.08628	6.5
85.06548	13.8
91.05515	4.4
93.07046	11.7
95.04976	1.2
95.08595	15.1
97.06525	2.6
97.10181	1.4
101.10244	1.1
105.07031	19.4
107.08591	17.9
109.06532	7.2
109.10160	12.7
111.08076	11.9
117.07029	4.6
119.08575	44.3
121.10103	10.6
123.08097	2.0
123.11696	29.8
131.08542	11.5
133.10126	27.8
135.08038	15.8
135.11671	5.9
137.09634	5.6
143.08542	7.1
145.10129	30.1
147.11670	18.0
149.09619	1.4
149.13293	1.5
156.09346	2.7
157.10141	12.3
159.11678	24.2
160.12511	1.5
161.09621	1.7
161.13249	28.6
163.11208	1.5
171.11679	14.7
173.13251	10.9
175.11205	2.4
175.14810	74.1
176.15689	2.3
177.12718	2.6
177.16380	2.6
178.46124	1.2
185.13217	16.5
189.12738	5.1
189.16379	2.9
190.13542	2.1
191.14238	1.9
199.14822	5.7
201.16373	23.7
203.14287	13.1
215.17941	5.3
217.19560	2.0
222.73547	1.3
241.19501	14.7
259.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.30404	1.5
55.05512	4.5
57.07081	2.2
67.05501	7.7
69.03417	2.0
69.07068	21.0
69.45229	1.7
71.04990	13.8
75.61102	2.3
79.05502	3.7
80.93869	1.9
81.07050	14.3
83.04979	3.0
83.08631	4.7
85.06548	13.3
91.05477	10.0
93.07030	15.7
95.08582	17.4
97.06514	2.5
105.07018	17.2
107.08598	18.1
109.06542	7.8
109.10152	14.1
111.08060	9.8
119.08573	41.5
121.10136	15.7
123.11720	31.7
129.06993	2.6
131.08553	12.3
133.10132	30.1
135.08046	18.2
135.11656	8.5
137.09673	2.1
143.08586	4.1
145.10104	27.8
147.11697	21.7
157.10109	7.8
159.11691	26.8
161.13275	28.7
171.11671	11.2
171.33549	1.9
173.13245	9.8
175.11304	2.1
175.14816	65.4
176.15581	3.0
185.13228	14.7
189.12749	3.5
189.16422	4.4
196.74910	2.3
199.14825	7.9
201.16391	21.2
203.14383	4.8
241.19444	20.0
256.06116	2.0
259.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05513	9.4
57.07075	3.8
67.05495	10.5
69.07047	5.6
71.49191	1.8
79.05482	13.3
81.07056	14.0
83.08633	9.3
91.04987	2.4
91.05475	25.4
93.07036	11.4
95.08605	12.6
105.07028	74.0
107.08590	10.0
109.10126	3.1
109.99673	2.4
117.07013	46.4
119.08578	45.7
121.10131	9.7
128.06125	2.2
129.06998	26.8
131.08563	49.8
133.10129	62.7
135.11690	3.5
138.26628	2.5
139.45297	2.2
143.08548	27.4
145.10144	42.6
147.11674	48.6
149.13173	4.2
157.10094	18.3
159.11690	97.0
161.13234	23.3
171.11665	32.2
173.13237	70.8
175.14903	4.5
185.13251	36.4
187.14833	5.6
199.14816	24.3
232.80713	2.5
241.19472	41.1
259.16849	3.6
259.17325	4.0
259.20554	100.0
259.28235	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35770	6.8
56.50965	7.7
63.75842	7.3
69.03404	9.3
70.06602	8.1
78.13406	7.2
80.33494	8.5
84.08150	70.5
97.02877	18.3
99.04467	14.8
112.11295	8.5
116.07132	15.0
128.07097	15.1
137.05455	7.7
144.10214	88.5
155.06958	64.8
160.03972	11.3
183.06471	17.9
183.22389	10.9
194.08179	82.3
242.10239	50.0
260.05347	100.0
260.11368	85.2
260.15009	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40462	1.0
53.03952	6.7
54.65402	1.0
55.01887	1.9
55.05516	5.1
56.05041	1.9
57.03441	2.0
60.04531	17.1
66.02490	1.0
68.05029	2.7
69.03432	9.7
70.06582	8.6
71.04997	5.1
72.04523	12.6
72.08161	18.0
80.05026	13.3
81.03413	18.3
84.04501	17.4
84.08148	68.4
85.02909	24.8
85.06508	1.0
86.09705	13.8
91.12689	1.1
96.04481	15.9
97.02893	49.0
98.03234	1.2
98.06057	23.7
99.04455	42.3
102.05565	2.1
103.03976	2.2
108.04481	100.0
109.02896	8.3
114.05533	4.8
115.03904	1.9
116.07044	2.8
117.05473	1.8
126.05521	54.0
127.03931	11.1
129.10236	6.3
130.05003	5.2
130.08633	6.7
131.01614	2.4
143.11806	7.9
144.06557	71.9
144.10194	11.8
145.04967	5.9
147.07661	1.4
147.11284	6.6
162.07620	40.5
171.01125	4.9
171.11298	5.7
201.09367	1.6
212.07547	1.7
224.09207	5.4
242.10208	6.8
243.16992	2.4
246.54922	1.5
255.92458	1.2
260.11545	15.6
260.14880	11.7
260.19537	15.3
270.02719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40462	1.0
53.03952	6.7
54.65402	1.0
55.01887	1.9
55.05516	5.1
56.05041	1.9
57.03441	2.0
60.04531	17.1
66.02490	1.0
68.05029	2.7
69.03432	9.7
70.06582	8.6
71.04997	5.1
72.04523	12.6
72.08161	18.0
80.05026	13.3
81.03413	18.3
84.04501	17.4
84.08148	68.4
85.02909	24.8
85.06508	1.0
86.09705	13.8
91.12689	1.1
96.04481	15.9
97.02893	49.0
98.03234	1.2
98.06057	23.7
99.04455	42.3
102.05565	2.1
103.03976	2.2
108.04481	100.0
109.02896	8.3
114.05533	4.8
115.03904	1.9
116.07044	2.8
117.05473	1.8
126.05521	54.0
127.03931	11.1
129.10236	6.3
130.05003	5.2
130.08633	6.7
131.01614	2.4
143.11806	7.9
144.06557	71.9
144.10194	11.8
145.04967	5.9
147.07661	1.4
147.11284	6.6
162.07620	40.5
171.01125	4.9
171.11298	5.7
201.09367	1.6
212.07547	1.7
224.09207	5.4
242.10208	6.8
243.16992	2.4
246.54922	1.5
255.92458	1.2
260.11545	15.6
260.14880	11.7
260.19537	15.3
270.02719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.4
56.05026	1.1
59.66417	0.5
62.33515	0.5
69.03407	0.7
69.07056	0.7
70.06584	2.5
71.04980	1.0
72.08117	0.8
74.02434	3.8
74.06053	0.7
81.03415	0.8
83.06102	1.0
83.63264	0.6
84.04504	6.4
84.08147	66.2
85.02903	0.8
85.04796	0.7
86.06062	1.0
86.09312	0.6
86.09707	10.0
87.04443	1.4
88.03976	0.9
91.05462	3.3
93.07048	0.7
95.04461	0.7
95.04971	9.1
96.04491	100.0
98.06046	0.9
98.09668	1.1
99.04437	3.5
103.05470	1.3
106.89864	0.5
116.07075	1.0
117.05502	9.2
119.04949	30.6
121.06475	3.3
123.04427	71.5
128.07056	1.2
130.03571	0.7
130.05017	1.1
130.08624	2.5
131.01770	2.6
131.05322	1.1
132.10150	2.2
142.08659	1.5
144.10197	60.8
145.07329	1.2
147.04411	28.6
156.06541	0.8
165.05461	29.6
174.07649	2.4
184.66162	0.6
188.09026	0.6
193.91791	0.7
197.10016	1.5
197.12769	0.7
207.98476	0.7
214.10750	2.4
214.14310	5.1
242.10133	1.4
242.14792	3.2
243.10902	0.6
243.13316	1.3
260.09122	38.2
260.15005	37.0
262.73279	0.7
282.66608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1967
Annotation	Lys Leu
Peak:m/z	Relative Intensity
52.32579	0.2
56.05034	1.2
56.25199	0.2
67.05499	0.3
76.55273	0.3
84.08146	100.0
86.09725	2.5
101.10777	2.5
102.09218	0.4
103.13635	0.2
112.07587	0.3
129.10245	11.2
130.08643	3.3
147.11284	6.5
183.57372	0.3
191.01184	0.4
197.16490	0.3
200.07085	0.6
202.05038	0.3
225.16023	0.4
226.14386	0.4
242.08049	0.6
242.18660	0.3
243.17036	7.9
260.09225	1.5
260.12860	0.4
260.19662	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17502	0.5
51.62648	0.6
51.95176	0.6
56.05039	3.1
57.07084	4.4
58.06611	10.7
61.13456	0.6
71.08636	3.4
74.06065	1.3
85.10196	1.2
88.07652	12.2
92.07117	11.9
179.95525	0.8
212.23752	62.9
242.24817	3.3
260.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75745	0.7
56.05044	1.9
57.07075	4.2
58.06356	0.7
58.06609	8.7
63.49174	0.8
71.08634	1.3
74.06053	1.9
86.75212	0.7
88.07632	16.0
92.07114	12.3
102.93016	0.8
120.18803	0.9
148.60861	0.9
162.05583	0.9
163.45895	0.9
172.94183	1.2
190.95326	1.2
212.23732	64.5
242.24834	4.7
260.03119	0.9
260.25836	100.0
276.83887	0.8
281.60571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28968	0.4
54.39689	0.4
57.07078	4.3
64.12830	0.4
68.67990	0.4
70.06601	5.7
71.08620	1.9
77.97984	0.4
88.07628	15.4
92.20972	0.5
102.09200	4.3
106.08665	9.8
125.88230	0.4
154.94200	0.7
172.95352	1.0
175.45798	0.6
183.10323	0.5
187.06570	0.5
198.22090	0.6
216.23189	0.9
218.60388	0.4
242.24771	10.1
260.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99973	0.5
52.75394	0.5
56.05034	3.3
57.07076	5.5
58.06362	0.5
58.06609	10.0
71.08627	2.9
74.06065	1.4
82.65763	0.7
84.74085	0.5
88.07127	0.8
88.07633	15.9
91.31792	0.5
92.07120	11.3
92.21564	0.6
95.56882	0.6
150.72807	0.6
153.59653	0.6
212.23723	69.3
242.24780	3.2
256.99759	0.7
260.21167	2.5
260.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17502	0.5
51.62648	0.6
51.95176	0.6
56.05039	3.1
57.07084	4.4
58.06611	10.7
61.13456	0.6
71.08636	3.4
74.06065	1.3
85.10196	1.2
88.07652	12.2
92.07117	11.9
179.95525	0.8
212.23752	62.9
242.24817	3.3
260.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.2
57.07087	4.3
57.07306	0.5
58.06350	0.7
58.06607	11.1
71.08620	3.2
71.21879	0.5
74.06063	2.6
85.10163	0.8
88.07633	15.6
88.85390	0.5
92.07122	10.8
104.62772	0.6
115.60615	0.6
151.34938	0.6
184.72066	0.6
212.23729	65.8
218.17111	0.7
242.24873	4.4
260.25833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0304
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
57.53298	0.1
65.30373	0.1
87.68300	0.1
98.97585	0.2
99.04473	0.2
101.00870	0.2
108.11749	0.1
116.98601	0.3
119.01912	1.5
131.94055	0.1
137.02936	0.2
167.41621	0.1
167.68567	0.1
176.82739	0.1
177.00945	2.4
182.99796	0.2
201.00912	0.7
209.58691	0.2
217.03954	0.9
219.01994	9.1
220.06293	0.1
221.32440	0.2
225.00792	2.0
237.98657	0.3
243.01961	11.4
261.03040	100.0
263.03546	0.3
275.04395	0.1
279.00583	0.3
284.04654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0368
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
50.80867	0.4
53.03959	0.5
54.04292	0.6
57.03434	1.0
57.42765	0.4
61.02925	2.5
68.24941	0.5
69.03436	5.2
71.04989	0.8
72.88972	0.4
73.02926	0.9
81.03413	6.7
83.04946	0.4
85.02906	37.5
86.09692	0.5
91.03949	2.7
97.02890	13.0
98.98465	100.0
99.04446	2.4
109.02880	9.5
116.99487	2.9
127.03922	10.8
141.05409	0.6
145.04953	8.0
163.05977	2.3
178.54227	0.5
225.01553	0.9
243.04884	0.6
261.03625	1.2
261.10980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	8.9
55.62406	0.7
65.19296	0.6
66.07216	0.6
69.03423	4.5
71.04972	2.8
79.05510	1.1
81.03422	15.0
81.07057	0.9
84.06149	0.6
85.02416	1.2
85.02904	16.0
93.07071	1.2
97.02884	4.1
99.04456	100.0
107.08631	0.6
109.02890	2.7
117.05469	3.7
117.07014	0.8
121.10146	0.8
127.03908	3.3
141.06989	0.9
145.04971	0.8
145.06503	3.2
173.06082	1.0
183.19197	0.7
190.06163	1.1
197.06078	0.9
200.04680	5.0
201.09103	3.9
228.04129	5.6
229.08519	6.1
230.13007	0.8
233.08044	0.8
233.11604	0.7
246.05222	4.2
246.08839	1.0
261.07559	18.2
261.11157	9.7
261.14786	1.5
261.22086	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03558	0.2
53.03957	7.1
55.01888	0.3
55.33661	0.2
57.03429	0.9
61.02939	0.9
69.03429	4.7
70.06566	0.2
70.19419	0.2
71.04993	3.1
73.02927	0.4
81.03420	14.8
82.93620	0.2
85.02908	9.1
86.09700	0.4
97.02885	5.8
99.04453	100.0
101.02388	0.4
109.02864	1.6
117.05486	5.3
121.06521	0.2
127.03915	2.6
143.47072	0.2
145.04933	2.1
162.03365	0.2
241.69899	0.3
258.60150	0.2
261.13187	0.6
261.15802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.5
55.01873	0.5
55.12174	0.2
57.03427	1.0
57.33693	0.2
60.00946	0.2
60.02470	0.2
61.02931	0.5
63.69757	0.2
69.03432	5.5
70.03102	0.2
71.04989	3.5
73.02894	0.5
79.99763	0.2
81.02946	0.5
81.03419	15.3
85.02906	10.1
89.06058	0.3
97.02895	6.9
99.04452	100.0
100.04784	0.4
101.02361	0.4
109.02865	2.3
117.05489	6.1
121.06472	0.4
123.04387	0.3
127.03907	3.5
134.04097	0.3
145.04909	2.6
217.10379	0.4
243.08690	0.3
243.11133	0.4
244.09029	1.5
244.15726	0.4
245.10020	1.1
246.10706	1.9
261.08792	0.4
261.13159	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15113	0.3
53.03706	0.4
53.03959	8.9
55.01868	0.5
57.03436	0.8
58.32797	0.3
61.02927	0.8
61.19032	0.3
62.56396	0.3
69.03436	5.5
71.04991	3.4
73.02927	0.5
81.03422	14.2
85.02904	11.0
97.02896	5.1
99.04456	100.0
101.02334	0.6
109.02895	1.7
109.64370	0.3
113.76782	0.3
117.05480	5.3
127.03878	2.8
145.04970	1.9
163.03886	0.5
261.09641	0.6
261.15891	0.5
273.35376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.9
57.03442	1.6
69.03432	5.4
71.04997	3.8
73.02902	0.5
81.03425	14.4
85.02908	10.3
97.02899	5.3
99.04456	100.0
101.02392	0.7
109.02892	2.1
117.05490	5.6
118.64645	0.4
121.06534	0.6
127.03918	3.1
140.07245	0.4
145.05005	1.6
248.99849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.3
55.01876	0.4
56.05053	0.3
61.02937	0.6
69.03434	6.5
71.05000	3.5
73.02907	0.5
74.88063	0.3
81.03424	13.4
81.07305	0.3
85.02912	8.2
97.02895	6.1
99.04459	100.0
109.02872	1.9
117.05491	5.4
122.09685	0.4
127.03922	2.2
145.04967	2.1
156.07358	0.8
238.11391	0.4
255.81683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.8
55.01884	0.3
57.03434	0.6
57.28121	0.3
57.91046	0.3
61.02918	0.4
69.03433	3.9
71.04995	3.7
81.03426	14.9
82.34419	0.3
84.04518	1.4
85.02911	9.1
85.18790	0.3
86.09704	2.9
95.87801	0.3
97.02883	4.1
99.04459	100.0
101.02404	0.4
108.99154	0.3
109.02898	1.4
117.05477	5.3
121.06493	0.4
127.03890	2.7
132.10213	1.2
145.05013	0.7
192.57750	0.3
211.08488	0.3
261.16003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.2
55.01869	0.6
57.03436	1.3
64.36360	0.5
66.88861	0.5
69.03432	6.8
71.05001	4.1
72.23200	0.5
73.02896	0.8
81.03422	16.8
84.08134	2.9
85.02903	13.0
85.08476	0.6
97.02892	12.8
99.04454	100.0
101.02384	1.3
109.02872	4.2
116.57903	0.6
117.05468	3.9
127.03897	5.3
145.04950	2.3
261.10068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43222	0.2
50.86205	0.2
53.03959	6.3
55.01880	0.3
57.03434	1.4
61.02928	0.5
66.93478	0.2
69.03438	4.8
71.04681	0.2
71.05006	3.2
73.02905	0.3
74.06044	0.3
79.89056	0.2
81.03426	13.9
81.04733	0.2
85.02908	9.8
87.04439	0.3
97.02895	4.1
99.04462	100.0
101.02411	0.5
101.21538	0.2
109.02892	1.6
112.70558	0.2
117.05493	5.8
127.03917	3.4
145.04974	1.5
150.55234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
57.03434	0.7
59.93304	0.6
61.02913	1.2
62.26217	0.6
69.03432	4.4
69.07071	4.4
71.04974	0.5
81.03425	10.9
84.04502	3.3
84.08179	0.7
85.02908	18.1
86.09710	100.0
97.02908	7.0
98.98473	48.9
99.04460	14.9
102.05551	1.0
109.02873	8.3
121.06513	0.9
127.03913	6.1
130.05006	3.4
134.63890	0.7
145.05028	4.8
148.06058	13.7
163.05952	0.8
193.18144	0.7
261.03610	1.0
261.14404	7.1
280.78540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
50.76453	0.5
51.95312	0.5
53.03956	6.0
55.01884	0.6
56.05043	0.6
57.03440	1.4
58.06598	0.6
61.02928	0.5
69.03428	3.4
71.04995	3.1
81.03429	14.3
84.04506	48.1
84.17834	0.5
85.02912	11.0
86.06056	2.8
86.09707	96.3
86.13297	0.5
97.02889	3.7
99.04456	100.0
102.05544	0.9
109.02865	1.0
114.05544	0.7
117.05495	10.0
121.06483	0.6
127.03900	4.0
130.05006	13.8
132.10199	42.6
142.04977	5.4
142.05945	0.6
145.04953	2.4
152.10735	2.3
169.08583	3.5
170.11844	0.7
197.12770	0.7
198.11237	12.8
243.08688	0.8
244.11780	10.3
251.07263	0.6
261.09879	1.2
261.14755	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
50.78291	0.3
51.10228	0.3
51.32710	0.3
53.03964	7.4
55.01888	0.6
56.05057	0.6
57.03442	0.5
58.06607	0.6
61.02927	0.5
63.68451	0.3
69.03441	5.0
69.07049	0.7
71.05009	2.6
73.02931	0.7
73.06580	0.3
81.03427	15.5
82.06615	0.6
84.04510	40.2
85.02908	10.8
86.06070	2.4
86.09709	76.7
96.40540	0.3
97.02907	5.2
99.04459	100.0
101.02382	0.6
102.05555	1.6
109.02899	2.1
114.05539	0.7
117.05482	5.6
121.06506	2.4
127.03915	2.7
130.05003	9.7
132.10205	35.4
135.13301	0.4
142.05013	4.5
145.05006	0.7
152.10722	1.8
161.06091	0.4
169.08575	2.3
198.11264	10.5
217.09769	0.5
243.13426	0.5
244.11798	7.6
247.73239	0.4
248.26613	0.4
261.09372	1.6
261.12296	7.6
261.14468	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1442
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
53.03737	0.3
53.03958	6.6
55.01884	0.2
55.05507	1.3
56.05039	0.3
57.03439	1.1
61.02922	0.9
65.09280	0.2
69.03432	6.7
71.04998	3.7
73.02922	0.4
81.03418	14.0
84.04504	18.4
85.02905	10.5
86.06061	1.2
86.09705	33.0
87.04434	0.3
96.21803	0.2
97.02892	4.9
99.04453	100.0
101.02356	0.4
102.05518	0.8
103.90128	0.2
109.02892	2.3
117.05487	10.7
121.06513	1.6
127.03909	3.3
130.04993	4.1
130.06621	0.3
132.00322	0.2
132.10194	15.6
142.04950	1.7
145.04918	2.6
147.84235	0.2
152.10652	0.5
163.04010	0.3
169.02766	0.2
169.08626	1.4
170.06055	0.4
170.11763	0.5
175.03894	0.6
182.45862	0.2
188.06975	0.3
198.11247	4.4
243.08717	1.6
243.10931	0.3
244.11778	3.5
261.07330	0.2
261.09500	2.4
261.12363	1.6
261.14706	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
51.02399	0.2
51.90166	0.1
53.03959	6.2
53.49386	0.2
53.78843	0.1
55.01876	0.3
56.05053	0.3
57.03445	0.9
58.06605	0.2
61.02929	0.4
62.35179	0.2
69.03437	5.0
69.07063	0.3
71.04999	3.5
73.02915	0.4
81.03423	14.8
84.04508	19.8
85.02911	9.2
85.03434	0.2
86.06068	1.0
86.09707	39.8
87.04468	0.2
96.80956	0.2
97.02290	0.2
97.02892	5.0
99.04457	100.0
101.02393	0.2
102.05550	1.1
109.02884	2.1
114.05515	0.5
117.05488	5.5
117.19607	0.2
121.06487	1.7
122.06931	0.2
124.07546	0.4
127.03903	2.9
130.05013	5.1
132.10205	18.0
142.04999	1.8
145.04939	1.5
152.10692	0.3
152.95505	0.2
169.08597	1.0
170.11752	0.9
198.11253	5.7
243.08641	0.4
243.13358	0.4
244.11780	4.1
261.09528	0.4
261.12350	1.5
261.14661	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1442
Annotation	Ile Glu
Peak:m/z	Relative Intensity
60.33379	0.3
64.21207	0.3
68.68094	0.3
69.06741	0.5
69.07075	7.2
72.35387	0.3
81.03436	0.7
84.04502	2.1
84.08152	0.5
85.02882	2.8
86.09706	100.0
91.57805	0.4
96.55838	0.4
97.02914	0.6
98.98464	8.9
100.48835	0.4
102.05548	2.0
109.02876	1.7
113.15768	0.4
127.03897	0.5
128.59837	0.3
130.04951	3.1
134.61510	0.4
148.06035	10.4
225.92690	0.4
261.14389	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.0
59.89506	1.4
62.83636	1.5
67.05510	17.7
69.07065	8.6
71.05026	1.9
74.15050	1.4
74.52071	1.8
75.00421	1.7
79.05498	24.8
81.07066	29.6
83.08595	3.8
85.06512	1.8
91.05506	5.5
93.07047	37.7
95.08594	25.4
99.08079	3.1
105.07041	8.3
107.08599	30.4
109.10178	11.5
111.08094	1.6
113.12292	1.4
119.08580	9.6
121.10136	35.0
123.11695	2.3
131.08545	11.1
133.10164	13.1
133.11084	1.5
135.11696	34.7
137.98846	1.5
145.10139	10.9
147.11682	8.0
149.13254	27.0
159.11711	10.6
161.13281	8.7
163.14851	13.7
173.13251	10.0
175.14812	2.1
177.16383	3.7
187.14830	2.9
187.33372	1.8
194.60765	1.7
215.06119	1.9
233.77365	2.0
243.20999	30.2
261.18259	2.7
261.22137	100.0
265.78024	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
50.92977	1.7
53.03963	1.9
55.05521	3.2
65.98538	2.3
67.05505	19.6
69.07039	2.2
79.05495	33.9
81.07076	23.9
82.47084	2.0
83.08625	3.7
91.05484	9.8
93.07038	35.0
95.08614	18.9
101.96729	2.0
105.07027	10.6
107.08598	30.4
109.10152	10.1
117.07045	3.5
119.08587	10.1
121.10137	32.7
131.08607	9.7
133.10143	10.0
135.11702	25.6
145.10173	11.2
147.11700	11.4
149.13289	22.4
159.11661	8.8
161.13222	10.5
163.14787	15.4
173.13217	7.8
175.14767	2.3
187.14809	4.4
243.21010	27.2
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05518	2.5
57.07094	2.8
67.05515	21.4
68.10819	2.0
69.03443	2.0
69.07063	11.0
71.08624	2.1
79.05497	33.0
81.07060	34.1
83.08635	3.8
85.06544	3.5
89.57927	2.5
91.05473	13.7
93.07042	50.4
95.08605	27.1
97.06481	2.8
97.10194	2.2
99.08099	3.5
99.39784	2.2
104.32945	2.1
105.07030	10.9
107.08603	39.6
109.10159	14.1
117.07014	8.1
119.08560	10.7
121.10152	36.3
131.08577	14.0
133.10126	11.6
135.11665	28.8
137.13292	2.5
145.10133	15.1
147.11696	9.9
149.09549	4.1
149.13261	23.6
159.11700	14.7
161.13191	14.6
163.14809	12.4
173.13269	14.0
175.14806	2.9
177.16399	9.0
179.14505	2.3
187.14806	5.3
191.54211	1.9
215.18053	2.7
217.19386	3.2
243.21078	44.6
261.22122	100.0
267.03659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
52.82692	2.0
55.05531	3.2
57.07079	4.2
61.88706	2.1
62.56543	2.2
67.05502	14.4
69.07056	14.6
79.05498	15.0
81.07076	20.7
83.08599	5.3
91.05482	6.3
92.21595	3.2
93.07038	20.6
93.60500	2.4
95.08609	24.6
97.64793	2.6
105.07063	10.5
107.08598	12.8
109.04889	3.0
109.10154	11.8
109.59111	2.5
113.09660	2.7
117.06979	2.7
119.08582	5.0
121.10166	21.3
123.11714	3.5
131.08569	6.2
133.10150	5.5
134.84174	2.5
135.11702	14.5
135.12834	2.4
141.70862	2.3
145.10120	6.2
147.11697	13.4
149.13231	13.8
151.11305	2.5
153.85564	2.8
159.11679	6.4
161.13284	4.4
161.26408	3.1
163.11157	14.5
163.14807	4.1
173.13283	4.1
177.12724	3.2
187.14848	3.8
201.16403	3.2
222.99290	2.6
243.21167	29.0
248.89824	2.8
261.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	11.0
72.08157	49.8
82.18162	4.0
82.52923	5.6
84.08140	29.6
85.02879	5.0
86.09694	4.0
89.63863	4.8
93.49903	4.7
97.02902	10.4
101.06020	7.2
118.08634	18.4
123.37675	4.9
127.03949	6.7
130.08644	19.1
143.05818	9.0
150.09138	9.1
154.08600	5.9
159.32762	4.3
161.06818	6.3
180.53140	5.0
186.65727	4.5
191.44923	4.1
196.09766	6.1
198.11311	31.1
207.32233	4.8
216.12308	83.5
244.11845	60.4
262.06943	84.3
262.10376	5.6
262.12906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1072
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
54.20389	0.4
55.05523	0.9
56.43477	0.4
62.28709	0.4
62.31437	0.4
69.95016	0.4
73.32896	0.4
74.74917	0.4
79.47685	0.4
86.06092	0.7
91.05484	2.6
93.07050	6.9
95.04979	1.0
98.00734	0.5
99.04455	2.3
100.04799	2.2
103.05472	3.0
105.78477	0.4
121.06503	100.0
142.04996	35.9
145.06752	0.4
150.03102	0.5
161.05977	2.8
162.05499	2.0
178.08662	0.5
180.06578	2.0
190.05058	0.6
192.06573	0.7
216.10240	0.6
244.06128	0.6
244.13416	0.6
262.10745	37.9
262.14328	10.0
262.17999	1.0
267.15646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1072
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
53.02386	0.3
58.48928	0.3
62.20268	0.4
63.33989	0.4
67.49597	0.3
71.17537	0.4
80.16331	0.4
80.41041	0.4
84.04529	0.5
84.08133	0.6
85.02888	0.5
98.09683	0.5
99.04443	2.7
100.04745	0.6
100.07620	0.4
101.02398	0.4
109.07634	0.9
110.36855	0.4
111.70080	0.4
121.06470	0.4
131.04979	0.5
136.06189	2.8
150.42953	0.4
164.07074	2.1
176.88496	0.4
177.07890	5.5
178.08575	0.5
216.12289	2.4
217.06190	0.7
218.08034	0.6
229.56764	0.4
245.05663	0.6
262.10730	100.0
281.95770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1283
Annotation	O-methylmalonylcarnitine
Peak:m/z	Relative Intensity
54.36845	1.8
55.05513	4.3
56.58471	1.6
57.03435	4.3
59.03730	1.9
59.73914	1.9
69.03432	5.4
72.08156	61.4
75.84528	2.2
79.81467	2.2
84.04519	20.8
84.08139	35.1
85.02900	14.8
86.03268	2.8
86.09695	3.6
87.03217	14.5
87.04410	2.3
87.05604	17.0
97.02906	21.2
98.03172	2.4
98.06034	2.8
98.98451	19.6
99.04431	4.6
101.06027	2.8
102.05522	2.0
102.09181	13.0
109.02911	2.3
112.03951	10.4
114.09153	11.5
118.08649	22.5
126.09215	4.1
127.03893	12.9
130.05005	17.6
130.08598	17.6
133.06078	25.3
143.05780	14.3
147.07643	5.3
150.09117	13.0
154.08560	2.4
161.06828	13.4
174.25528	2.4
195.13658	2.2
196.09698	10.8
198.11276	34.7
216.12297	94.7
234.13252	12.5
244.09535	2.9
244.11786	69.1
249.06216	2.2
262.10193	8.8
262.12805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1282
Annotation	O-methylmalonylcarnitine
Peak:m/z	Relative Intensity
52.15771	1.8
54.25496	1.6
59.04999	2.5
64.14293	1.8
69.03436	8.1
69.24526	1.7
70.06584	2.8
72.08157	57.6
73.02965	2.4
73.53588	2.1
84.08140	30.8
85.02925	11.8
86.09715	15.3
87.03220	4.9
87.04482	4.4
87.10052	9.4
92.87808	2.2
97.02914	20.2
97.03497	2.4
98.06097	7.7
99.04463	7.4
101.06044	3.8
102.09210	10.3
108.04494	2.6
108.99587	1.8
112.03989	8.8
114.09179	5.1
115.03987	2.1
116.07103	2.9
118.08644	23.4
127.03958	9.3
130.08678	13.7
133.06274	2.1
143.05797	4.8
145.05005	3.1
150.09206	10.3
154.08755	2.9
156.10216	4.7
161.06882	11.8
173.02843	2.0
174.11310	3.9
196.09778	11.8
198.11273	27.3
201.07939	4.1
202.08737	3.8
216.12305	85.4
234.13460	9.7
244.11775	49.9
244.15549	8.0
262.07059	21.7
262.10703	18.2
262.12973	100.0
262.15277	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1436
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
53.87466	0.6
55.05525	7.4
58.06607	1.1
65.39009	0.6
68.77204	0.7
69.03444	1.1
69.07066	0.8
76.47524	0.6
81.03415	0.7
83.08627	6.6
87.04467	55.7
93.07004	0.8
97.02892	1.4
99.04433	1.6
100.04790	1.2
112.11240	2.8
115.03905	0.9
121.06446	1.2
124.11229	0.8
144.06534	1.5
148.62479	0.7
158.09653	10.4
162.07610	2.9
176.10698	81.2
216.12271	0.8
221.09146	5.4
226.14365	3.2
233.84538	0.8
244.15417	29.7
262.10867	7.6
262.14355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87466	0.6
55.05525	7.4
58.06607	1.1
65.39009	0.6
68.77204	0.7
69.03444	1.1
69.07066	0.8
76.47524	0.6
81.03415	0.7
83.08627	6.6
87.04467	55.7
93.07004	0.8
97.02892	1.4
99.04433	1.6
100.04790	1.2
112.11240	2.8
115.03905	0.9
121.06446	1.2
124.11229	0.8
144.06534	1.5
148.62479	0.7
158.09653	10.4
162.07610	2.9
176.10698	81.2
216.12271	0.8
221.09146	5.4
226.14365	3.2
233.84538	0.8
244.15417	29.7
262.10867	7.6
262.14355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.04282	1.7
55.05518	1.2
56.05042	0.7
61.16075	0.7
65.01187	0.9
67.05517	1.2
67.48075	0.7
69.03436	1.1
69.78726	0.8
70.06586	2.2
71.04991	2.2
73.53263	0.8
79.05520	1.5
79.34524	0.9
81.03408	5.3
81.07063	6.2
82.03747	3.8
83.04986	4.3
85.02906	4.4
86.03236	1.3
88.03985	14.4
91.05466	0.9
93.07035	3.8
97.02888	1.3
98.03226	1.0
99.04453	30.8
100.04785	26.4
105.07085	1.1
107.04945	2.2
107.08633	0.9
121.06500	33.1
121.10127	5.2
124.03939	6.8
135.11722	2.0
138.12752	6.0
142.04984	4.1
142.62038	0.9
145.10098	4.0
149.09636	3.6
163.03801	1.4
163.11148	3.8
164.04228	1.8
166.12265	18.7
173.09673	1.1
181.12213	1.1
182.15390	15.4
184.13319	100.0
191.10670	3.5
202.14357	4.9
208.13286	6.5
226.14355	16.9
244.06215	1.1
244.09566	1.5
244.15350	8.1
262.07797	1.6
262.10709	15.7
262.16519	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.4
53.90274	0.7
55.05521	10.6
58.06610	100.0
61.05621	0.8
62.37043	0.7
69.03451	1.5
71.04996	1.5
72.04521	5.1
72.08135	1.3
81.03426	3.2
82.03757	1.6
83.08627	6.6
84.04520	7.7
84.08164	1.6
85.02888	1.8
85.04840	4.3
86.09705	12.9
87.09566	0.8
87.10007	7.2
88.03994	7.1
96.04477	0.8
97.02900	1.8
98.06069	3.5
98.09686	1.5
99.04469	20.5
100.04791	13.4
109.55838	0.8
112.11237	7.8
115.03951	0.9
117.05434	0.9
119.04914	0.9
121.06495	2.9
127.03928	1.1
130.05037	1.1
132.10233	5.7
133.10544	4.8
135.92624	0.9
144.10194	0.8
156.13843	3.6
164.07062	4.5
166.51657	0.9
176.06963	0.9
180.13887	0.9
184.13313	3.1
187.61932	0.8
198.11356	1.0
198.13158	1.1
198.14911	13.7
199.11629	3.5
202.14423	1.9
210.88394	0.7
216.10237	5.0
216.12408	4.2
216.15945	37.6
217.08730	1.0
218.08147	4.2
219.10304	1.0
225.27864	0.7
226.14342	3.2
244.06154	0.8
244.11659	2.7
244.15456	41.6
245.12016	0.9
246.07564	1.3
247.08347	5.9
262.07581	1.3
262.10733	44.2
262.14359	53.3
262.16638	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30113	0.4
53.03949	0.8
54.04288	0.5
57.03436	1.0
57.07127	0.5
59.05008	6.2
60.08170	7.7
69.03417	0.5
70.02946	1.0
72.04511	0.6
72.08165	0.5
75.22169	0.4
81.03415	3.3
82.03738	1.0
83.04965	0.5
84.04507	2.2
85.02903	100.0
85.06506	0.7
86.03220	0.9
86.06066	0.7
87.05588	1.2
94.62148	0.4
96.04489	0.9
97.02901	2.7
97.68087	0.4
98.03228	1.2
99.04454	14.0
100.04786	11.6
103.03918	0.5
112.03963	0.9
113.06006	0.5
114.05510	1.0
117.05437	0.6
124.03889	0.6
128.07080	0.8
132.06560	1.1
133.06088	0.9
134.79655	0.5
142.04951	0.8
144.10136	4.3
145.04958	15.0
146.08070	0.7
160.06061	2.1
185.08076	3.1
188.05559	4.4
197.54822	0.5
199.10292	0.5
204.12309	0.8
206.16660	0.6
244.11664	2.9
247.08391	0.5
262.07666	0.8
262.10538	12.4
262.16473	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1649
Annotation	3-hydroxyisovalerylcarnitine
Peak:m/z	Relative Intensity
53.03961	1.4
53.90274	0.7
55.05521	10.6
58.06610	100.0
61.05621	0.8
62.37043	0.7
69.03451	1.5
71.04996	1.5
72.04521	5.1
72.08135	1.3
81.03426	3.2
82.03757	1.6
83.08627	6.6
84.04520	7.7
84.08164	1.6
85.02888	1.8
85.04840	4.3
86.09705	12.9
87.09566	0.8
87.10007	7.2
88.03994	7.1
96.04477	0.8
97.02900	1.8
98.06069	3.5
98.09686	1.5
99.04469	20.5
100.04791	13.4
109.55838	0.8
112.11237	7.8
115.03951	0.9
117.05434	0.9
119.04914	0.9
121.06495	2.9
127.03928	1.1
130.05037	1.1
132.10233	5.7
133.10544	4.8
135.92624	0.9
144.10194	0.8
156.13843	3.6
164.07062	4.5
166.51657	0.9
176.06963	0.9
180.13887	0.9
184.13313	3.1
187.61932	0.8
198.11356	1.0
198.13158	1.1
198.14911	13.7
199.11629	3.5
202.14423	1.9
210.88394	0.7
216.10237	5.0
216.12408	4.2
216.15945	37.6
217.08730	1.0
218.08147	4.2
219.10304	1.0
225.27864	0.7
226.14342	3.2
244.06154	0.8
244.11659	2.7
244.15456	41.6
245.12016	0.9
246.07564	1.3
247.08347	5.9
262.07581	1.3
262.10733	44.2
262.14359	53.3
262.16638	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.04282	1.7
55.05518	1.2
56.05042	0.7
61.16075	0.7
65.01187	0.9
67.05517	1.2
67.48075	0.7
69.03436	1.1
69.78726	0.8
70.06586	2.2
71.04991	2.2
73.53263	0.8
79.05520	1.5
79.34524	0.9
81.03408	5.3
81.07063	6.2
82.03747	3.8
83.04986	4.3
85.02906	4.4
86.03236	1.3
88.03985	14.4
91.05466	0.9
93.07035	3.8
97.02888	1.3
98.03226	1.0
99.04453	30.8
100.04785	26.4
105.07085	1.1
107.04945	2.2
107.08633	0.9
121.06500	33.1
121.10127	5.2
124.03939	6.8
135.11722	2.0
138.12752	6.0
142.04984	4.1
142.62038	0.9
145.10098	4.0
149.09636	3.6
163.03801	1.4
163.11148	3.8
164.04228	1.8
166.12265	18.7
173.09673	1.1
181.12213	1.1
182.15390	15.4
184.13319	100.0
191.10670	3.5
202.14357	4.9
208.13286	6.5
226.14355	16.9
244.06215	1.1
244.09566	1.5
244.15350	8.1
262.07797	1.6
262.10709	15.7
262.16519	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	3-hydroxyvalerylcarnitine
Peak:m/z	Relative Intensity
53.33395	1.0
61.99385	0.8
69.03425	1.8
69.07063	2.0
71.04989	2.4
72.08157	1.4
81.03423	1.6
82.03743	1.0
84.04515	5.5
84.08148	1.3
85.02908	2.1
85.04833	2.1
86.09692	16.7
87.04487	1.7
87.10035	9.6
88.03989	100.0
97.02882	1.2
98.06062	1.3
98.09692	50.7
99.04453	27.1
100.04788	15.6
101.05993	8.5
113.06006	2.2
116.07108	1.7
116.10732	11.7
121.06516	2.4
128.07037	1.0
130.08620	8.6
132.10223	5.9
132.11147	1.0
133.10599	5.1
136.06155	1.3
144.10199	43.4
144.11275	2.0
148.62637	1.0
164.07034	7.7
184.13319	41.5
198.14830	12.6
203.55879	1.0
216.12479	2.2
216.15933	43.4
230.13928	1.3
244.11746	2.2
245.12132	1.0
262.10681	42.9
262.13177	2.5
262.16528	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
50.71727	0.6
56.05044	8.2
57.07093	5.9
58.06618	5.5
64.15988	0.7
67.46812	0.6
71.08620	1.0
74.06084	9.0
80.95958	0.7
85.10189	1.7
86.06081	1.1
88.07627	11.7
101.29877	0.7
116.53117	0.7
116.94173	0.7
117.88828	0.8
118.08656	5.1
122.08115	9.1
155.35065	0.8
166.00003	0.8
182.93668	0.8
214.21651	57.0
244.22673	3.4
262.10709	1.3
262.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	8.7
57.07081	6.5
58.06593	6.1
60.04521	1.5
65.46857	0.7
70.01937	0.7
71.08627	3.1
74.06088	13.1
85.10166	1.5
85.79591	0.6
86.06085	1.0
88.07629	16.0
118.08652	8.1
122.08121	9.4
170.44986	0.7
175.28017	0.7
200.20012	0.8
214.21646	67.1
244.22731	1.4
262.23755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	8.8
57.07071	4.7
58.06607	6.8
63.85848	0.6
67.23065	0.6
71.08624	2.7
74.06082	10.7
85.10188	2.7
86.06065	1.4
88.07635	13.3
104.07127	0.8
118.08660	6.7
121.06538	5.2
122.08124	8.9
170.51756	0.7
176.00847	0.7
177.12758	0.9
200.20111	1.4
214.21643	67.0
244.22714	1.5
262.23761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07664	1.5
65.73895	1.7
70.90859	1.7
72.08155	1.9
79.99420	1.8
82.25949	1.8
83.97102	1.6
84.00334	2.0
93.52332	1.9
96.46728	2.0
101.00897	3.7
113.00861	3.4
119.01929	13.0
131.01900	13.0
141.99710	2.1
143.01903	55.1
155.01918	22.4
160.09093	2.4
161.02953	100.0
173.02975	36.5
179.03929	3.7
185.02927	9.1
191.03996	20.7
197.03070	2.6
203.03964	19.0
217.12585	8.9
221.05017	3.1
245.12108	3.8
263.06104	27.6
263.13290	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12325	2.6
52.58321	2.9
53.32414	3.2
66.63799	2.9
66.65363	2.6
72.08120	3.9
75.81292	2.6
84.79441	3.1
104.86245	3.5
108.62432	3.2
119.01881	12.2
131.01877	5.6
143.01906	59.5
155.01881	18.3
161.02957	100.0
173.02946	40.5
185.02921	5.2
191.04005	20.4
202.80031	3.4
203.03998	17.0
206.82536	3.3
217.12457	3.7
245.12024	4.8
263.05954	30.9
263.13126	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32124	0.8
58.88570	0.8
67.65218	1.0
70.71548	1.1
73.81684	1.0
80.59881	0.9
82.97070	0.9
83.30907	0.9
85.02877	1.0
94.68504	1.1
95.42182	1.0
101.00889	4.5
113.00861	1.2
119.01910	13.8
131.01930	13.9
143.01904	53.7
145.03494	2.3
149.02982	1.8
153.86903	1.1
155.01875	11.9
157.03470	1.6
161.02953	100.0
168.01849	1.1
173.02963	37.0
174.68709	1.1
175.04504	2.1
185.02983	8.0
191.03995	20.8
197.03166	1.3
203.04021	16.9
213.36536	1.1
221.05124	7.6
239.06232	2.3
241.27203	1.2
245.04959	1.7
263.06104	42.9
263.13864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37061	0.9
54.72655	0.9
63.22273	0.8
72.08164	2.0
79.52137	0.9
84.08119	1.5
101.00861	8.3
113.00879	2.4
117.95395	0.9
119.01922	12.9
122.94270	1.1
131.01907	13.5
143.01898	57.6
149.02902	1.1
155.01878	14.8
157.03435	1.4
161.02943	100.0
167.01910	1.0
173.02954	33.2
179.03978	1.5
185.02905	7.2
191.03981	13.4
203.03978	18.4
217.12749	3.7
220.36998	1.0
221.05054	5.1
245.05284	1.5
245.12093	4.9
263.06024	21.7
263.13086	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17537	0.4
82.99847	0.8
96.21613	0.3
101.00861	3.9
105.00385	0.4
113.00872	1.6
119.01922	13.0
121.72549	0.4
131.01915	7.0
137.02921	1.7
143.01900	47.5
145.03514	0.9
149.02977	0.5
149.09036	0.5
155.01888	7.4
156.97508	0.6
157.03448	2.0
161.02953	100.0
167.01892	0.5
169.03453	0.4
173.02950	16.5
174.98520	0.5
177.02452	0.5
179.04018	2.3
184.04573	0.8
185.02928	3.7
191.03998	9.7
197.02940	0.5
198.98479	0.8
203.04005	21.3
216.99634	0.5
221.05055	3.1
233.05075	0.7
239.06163	0.7
245.04997	0.8
263.05890	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
58.06590	1.5
68.53230	1.0
80.05025	1.5
84.04507	9.6
86.02397	1.3
87.05582	4.6
99.04469	2.9
99.05576	5.7
100.03979	2.4
101.00880	7.6
101.06011	10.7
113.06039	9.5
116.07098	1.4
117.06624	2.8
118.08649	26.2
119.01927	15.0
123.85461	1.3
124.07582	1.7
126.05520	52.9
128.03429	8.0
130.08606	2.0
131.01910	10.0
133.06091	1.5
140.07013	1.7
142.08611	2.4
143.01909	58.4
145.03485	1.2
145.06091	50.0
146.09253	5.6
155.01884	11.3
155.47186	1.1
157.03456	1.9
161.02956	92.7
167.01865	1.4
168.05161	1.6
168.06555	37.1
172.06041	100.0
173.02956	25.0
185.02954	2.9
185.09209	10.2
186.07610	53.7
191.03963	11.1
199.10724	1.1
200.09283	8.6
203.04010	21.9
204.08694	18.9
207.50177	1.4
217.11931	5.4
221.04976	4.8
231.09656	9.6
263.05817	16.9
263.12372	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0913
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.52711	3.0
54.41410	3.1
54.42399	3.3
55.01869	5.8
57.48674	3.4
66.71544	3.4
68.25488	3.2
69.03407	5.0
72.04528	8.0
78.55394	3.7
81.03425	39.0
85.02428	5.1
85.02915	73.2
90.91849	3.2
91.05480	5.1
97.02883	25.5
99.04475	3.8
105.07002	4.7
107.04943	5.1
111.04443	14.5
115.05418	4.3
119.04880	4.9
121.06497	4.3
123.04422	35.1
128.06268	6.0
129.06992	23.4
131.04933	14.7
131.08606	3.9
133.06577	5.3
135.04416	4.9
137.05994	74.1
141.06993	8.9
143.08559	17.3
145.06445	6.0
147.04388	43.8
147.08072	4.3
148.11229	67.4
149.05983	45.6
151.07526	8.7
153.06981	19.0
157.06483	29.1
159.08145	13.2
160.05231	4.6
161.06003	30.9
163.03893	18.6
165.05467	49.7
167.07050	15.7
169.06458	6.8
171.08028	25.7
173.05994	19.6
174.06714	4.0
174.12775	14.1
175.07524	68.0
175.08867	6.0
177.05443	21.6
181.06483	29.5
185.05972	26.4
187.07520	38.8
189.05606	17.0
189.09109	25.9
191.07088	6.6
197.05923	6.9
199.07559	53.4
200.10739	26.1
201.05550	5.5
201.07420	5.7
203.07025	40.2
205.08632	43.2
209.05829	6.0
215.07066	8.0
217.08582	45.1
218.33119	4.3
219.14931	17.8
227.07014	43.3
233.08064	15.8
245.08075	100.0
246.11188	29.4
263.09088	83.0
263.13806	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
53.07329	0.8
53.39105	0.7
55.05515	0.8
57.66909	0.7
75.09675	0.8
84.08138	3.7
85.02859	1.0
85.14169	0.8
86.02436	1.5
91.05435	1.0
94.99304	0.8
99.04473	1.1
103.05519	0.9
118.06533	14.6
130.06497	1.8
132.08087	14.7
137.05971	1.5
142.06570	1.3
143.07281	1.7
144.06386	0.9
144.08095	25.9
146.06018	100.0
147.04369	1.3
155.53458	0.8
158.08365	3.7
160.07561	1.4
164.07082	1.1
170.06003	6.8
171.09134	1.6
175.50586	1.0
188.07076	94.7
189.05534	1.4
201.07399	2.0
204.10260	1.2
217.09721	9.0
245.12723	1.2
246.07695	1.3
263.10803	14.3
263.13947	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.7
56.04997	1.5
59.32053	1.3
60.11250	1.3
60.95873	1.6
67.39669	1.2
79.17197	1.4
84.04491	17.5
84.08139	8.5
85.02919	7.0
86.02424	2.2
86.03254	1.5
87.05571	3.0
87.06097	1.3
96.04519	1.7
98.06068	2.8
99.04449	8.8
99.05536	2.0
101.00871	8.4
101.06014	7.8
102.05520	2.1
104.57982	1.5
113.06000	9.6
116.07094	2.7
117.06594	3.0
119.01933	15.9
126.05518	44.2
128.03432	6.8
130.05011	9.0
130.08633	1.8
131.01912	7.5
133.03508	15.1
133.06050	2.5
137.02979	1.6
142.08627	2.2
143.01910	51.9
145.03438	7.8
145.06071	35.5
147.01370	2.6
147.04926	1.7
149.02959	2.0
151.04543	2.8
155.01938	14.2
156.97482	7.1
159.05061	2.3
159.07640	1.9
159.73444	1.5
161.02951	100.0
168.06564	33.7
172.06041	80.1
173.02917	28.6
174.98499	2.5
175.04507	10.5
179.03993	3.5
182.08139	3.9
185.02971	7.9
185.09218	9.8
186.07611	46.8
187.04552	8.2
189.02426	9.7
191.04018	16.4
197.02820	1.9
198.98512	9.7
199.10730	2.2
200.09216	10.3
203.04015	21.3
204.08698	15.3
207.03380	2.2
213.75124	1.7
216.99527	8.2
217.11916	8.1
221.05040	2.7
228.08905	2.2
231.03448	13.3
231.09738	10.7
245.05170	2.7
263.06052	26.6
263.12369	66.5
263.16684	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96754	1.6
55.05517	11.9
56.71136	1.6
70.95728	1.8
84.04500	4.4
84.08176	2.1
86.02438	3.5
87.05602	2.9
96.04492	2.8
97.02870	2.0
98.06086	2.5
99.04443	3.8
99.05573	4.1
101.06022	6.5
102.05528	4.3
113.06001	11.8
117.06578	3.2
126.05505	54.8
128.03473	8.3
128.07080	1.7
130.05008	3.9
133.06070	2.7
145.06079	47.6
161.02980	3.2
167.30318	1.6
168.06538	38.2
172.06030	100.0
173.61284	2.0
185.09200	10.5
186.07611	56.3
200.09219	11.1
204.08652	20.2
217.11806	4.2
231.09782	8.5
244.62672	2.0
263.06863	1.6
263.07922	1.5
263.12387	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
51.17471	0.3
51.47733	0.3
56.56451	0.3
57.35529	0.3
59.50163	0.4
68.45969	0.4
73.68976	0.5
82.46510	0.4
84.08164	0.6
97.02937	0.4
112.07674	0.4
129.80025	0.4
137.06023	0.7
187.07518	0.8
189.07661	0.6
202.08662	7.0
204.10194	100.0
233.89673	0.5
241.19063	0.4
245.12830	36.6
248.08707	1.9
263.04916	4.2
263.11035	17.6
263.13840	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11060	0.5
54.48994	0.5
79.20557	0.5
84.08185	0.6
101.16182	0.7
110.06157	0.6
111.21951	0.8
112.07620	0.6
187.07541	0.9
202.08667	6.7
204.10197	100.0
229.40775	0.6
245.12834	36.9
257.32449	0.7
263.13876	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
52.97535	1.2
55.01876	6.9
55.05517	2.0
57.07065	1.9
67.05502	13.8
67.63342	1.4
69.03427	2.0
69.07055	7.0
79.05478	7.4
81.07059	11.0
83.04987	2.1
83.08629	2.2
86.96771	1.3
91.05506	4.8
92.43937	1.3
93.07066	10.3
95.04951	6.2
95.08582	10.5
97.02895	3.2
97.06481	1.5
98.97580	1.8
105.07018	8.2
107.04993	1.7
107.08603	6.1
109.10164	2.9
111.04448	6.2
118.66828	1.4
119.08582	8.7
121.06481	2.8
121.10140	6.9
123.04428	100.0
123.11734	2.0
131.08592	2.4
133.10114	15.5
135.08054	5.9
135.11696	7.5
137.05963	3.4
143.08594	2.4
145.10095	2.2
146.57907	1.3
147.08049	8.6
147.11661	6.9
149.09607	2.1
151.03896	3.0
153.13115	1.5
161.09612	7.8
161.13257	2.1
171.11646	1.6
175.11189	2.5
179.10692	2.2
189.16321	6.8
199.14830	3.0
199.91931	1.4
214.98166	1.9
215.22148	1.9
217.08966	1.7
217.15782	9.7
235.16901	5.1
263.10574	3.1
263.13080	2.8
263.16437	10.1
263.20065	3.3
263.24026	2.7
281.17465	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
55.05499	1.5
57.07074	1.6
64.66590	0.9
67.05479	1.3
69.07061	1.1
77.46323	1.0
79.05507	1.6
79.92252	1.1
81.07038	5.4
85.06538	2.1
91.05461	2.2
93.07027	7.0
94.15449	1.2
94.22543	1.1
95.04962	2.5
95.08608	4.8
98.97578	1.8
99.04436	1.7
105.07016	4.5
107.08585	6.3
109.06490	2.2
109.10128	2.5
111.04426	1.6
116.05084	1.1
117.07007	1.3
119.08588	10.8
120.18815	1.2
121.06447	1.8
121.10168	4.1
123.08051	1.5
125.05940	1.3
129.26282	1.2
131.08562	2.1
133.10126	9.6
135.08057	4.9
135.11700	2.1
141.73785	1.1
143.08546	4.8
145.06525	1.5
145.10075	1.4
147.08051	14.4
152.19101	1.2
157.10109	2.7
158.01183	1.2
159.11632	5.2
161.09608	13.3
163.07492	4.2
163.10883	1.0
177.09106	1.8
185.13202	2.4
187.11049	1.1
189.09096	8.3
203.14276	5.5
207.10149	12.9
217.07098	1.8
245.15327	4.7
263.16385	100.0
263.19992	4.7
279.29736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
55.01876	17.2
55.05514	15.1
55.19043	3.3
57.03435	25.2
61.55922	2.9
65.84223	3.3
66.78082	3.7
67.05507	44.0
67.15649	3.0
69.07066	45.8
71.04993	7.2
79.05492	74.3
81.07059	68.3
83.04993	4.2
83.08622	5.1
85.06532	7.0
91.05479	57.4
93.07046	100.0
95.04976	20.4
95.08588	32.0
97.06524	9.2
97.10143	7.1
99.08084	3.6
105.07029	41.7
107.04960	15.9
107.08597	72.5
109.06510	28.0
109.10164	18.1
111.08093	5.8
117.07000	21.7
119.08578	70.6
121.06490	25.1
121.10151	51.0
123.08038	8.6
125.09556	4.6
129.07024	31.9
131.08574	30.2
133.06467	5.8
133.10124	23.9
135.08051	39.1
135.11696	40.7
137.06009	5.4
143.06972	14.4
143.08583	33.5
145.10129	22.2
147.08049	72.0
147.11664	7.8
149.09641	19.5
149.13309	4.1
151.03938	18.2
157.10135	38.1
159.11728	5.1
161.09615	16.5
163.11139	5.2
171.11699	27.5
173.09586	6.0
175.11267	6.8
185.09627	5.5
189.12741	5.7
199.14796	39.3
203.10779	4.5
209.13304	4.5
217.15857	7.2
227.14235	6.5
245.15402	38.7
263.12607	7.2
263.16406	90.9
263.20032	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.14417	2.1
55.05513	19.3
55.05734	2.0
57.03451	4.3
67.05502	25.6
69.07078	18.5
71.05006	2.5
72.01463	2.1
79.05095	2.3
79.05508	46.3
81.07060	38.3
83.05019	2.4
83.08626	5.2
85.06541	2.8
91.00163	2.0
91.05468	19.6
93.07043	78.7
95.04954	9.4
95.08606	37.3
97.10172	4.3
99.04454	11.5
105.07032	23.4
107.08599	62.2
109.06516	4.8
109.10129	16.4
111.08039	3.8
116.16640	2.5
119.08582	20.2
121.06513	3.8
121.10151	66.1
123.08075	13.4
125.05936	2.4
129.07019	2.9
133.10114	20.3
135.08080	2.6
135.11708	33.3
137.05934	3.4
137.09639	4.8
143.08548	3.8
145.10112	8.7
147.08086	4.6
147.11702	9.9
149.09610	3.0
149.13277	17.1
157.10104	2.6
159.11665	3.2
161.09624	4.0
161.13205	5.1
165.09033	3.5
171.11635	2.2
185.13196	2.8
199.14737	3.1
227.17949	3.4
245.15280	4.0
245.19041	4.5
263.16501	15.0
263.20059	100.0
277.51434	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	12-Acetoxyeremophilene
Peak:m/z	Relative Intensity
55.05524	3.7
57.03428	0.5
57.07072	3.1
59.27810	0.5
67.05511	20.9
69.07059	5.6
71.08624	2.1
79.05486	6.0
81.07063	29.7
83.08634	5.8
84.38396	0.5
85.06561	1.2
85.10178	0.6
90.13212	0.5
91.05482	2.6
93.07045	7.7
95.04958	0.6
95.08603	27.1
97.06535	2.7
97.10171	0.9
98.97594	0.7
99.08115	1.3
105.07049	4.0
107.08602	7.6
109.06523	12.6
109.07231	0.7
109.10155	15.7
111.08105	2.3
113.09625	1.0
116.98579	0.5
119.08582	5.1
121.10129	7.0
123.08063	1.9
123.11700	6.8
125.09653	0.8
133.10126	4.8
135.11708	3.8
137.09615	0.9
137.13251	3.3
140.28587	0.5
143.68082	0.5
147.11690	4.8
149.13269	4.0
151.07555	2.5
151.14833	1.2
159.11742	0.6
161.13248	4.0
163.14783	2.2
165.16382	2.8
168.87939	0.6
175.14798	3.2
189.16437	0.7
245.22626	8.8
246.14694	0.6
263.20065	100.0
263.23645	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
55.01876	3.7
55.05514	14.6
57.03448	17.7
57.07053	1.9
66.44415	2.0
67.05509	19.6
67.05802	1.8
69.07063	9.7
72.34853	2.0
78.13010	2.2
79.05495	27.6
81.07056	23.4
83.05013	3.3
83.08608	2.3
84.45735	2.2
85.06505	3.2
91.05479	13.7
93.07040	36.8
95.04968	28.4
95.08604	21.9
97.06528	2.8
97.10174	4.6
99.04446	2.6
105.07011	28.5
107.04935	10.5
107.08613	32.3
109.06524	9.6
109.10174	10.7
113.06012	3.2
117.06988	3.6
119.08591	26.0
121.06459	4.4
121.10137	21.2
123.08051	20.6
129.06999	2.8
131.08542	9.7
133.10179	16.6
135.08031	30.2
135.11714	10.0
137.09619	10.6
143.08549	4.4
145.10138	3.8
147.08067	5.4
147.11671	14.2
149.09631	14.5
151.11098	3.8
153.37349	2.2
157.10118	4.2
159.11720	4.5
161.09575	3.9
161.13235	3.2
165.09065	8.5
171.11713	3.9
173.13252	17.3
175.11165	8.9
179.10620	5.7
185.13284	8.9
189.12782	4.5
191.14368	3.9
192.09322	2.5
193.12279	2.5
207.13847	4.3
217.15962	3.9
227.14182	3.6
227.17905	3.1
229.78883	2.3
245.15323	10.5
245.18950	9.4
263.12732	3.0
263.16479	30.5
263.20062	100.0
263.59503	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60436	1.9
55.05520	4.0
57.07072	10.6
63.99244	2.4
65.83618	2.3
67.05515	58.3
69.07072	9.7
71.08618	10.0
73.14407	2.2
79.05497	15.9
81.06611	4.3
81.07063	81.6
83.08630	14.1
85.06538	2.6
85.10196	3.3
91.05496	9.7
93.07041	17.6
95.08613	67.9
97.10189	5.3
99.08102	2.8
104.93971	2.2
105.07051	6.1
107.08631	8.5
109.10163	40.9
112.21483	2.5
117.96554	2.5
119.08577	11.7
120.88814	2.2
121.10133	21.6
123.08079	2.3
123.11720	15.8
133.10129	17.7
135.11694	11.1
136.35997	2.1
137.13271	9.9
147.11719	13.6
151.14816	4.4
161.13248	12.3
163.14787	5.9
165.16380	5.5
172.30487	2.8
175.14764	5.4
189.16353	5.1
193.15950	2.6
223.24858	2.7
235.10904	2.6
245.22591	28.0
263.23672	100.0
263.26212	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.49245	1.8
55.05514	10.8
57.07087	12.5
65.74707	1.8
67.05510	70.7
69.07070	16.7
71.08618	9.0
79.05486	12.3
81.07063	87.3
83.04968	2.2
83.08631	15.1
85.06545	4.1
85.10208	2.6
91.05476	10.8
93.07059	18.6
95.04992	3.3
95.08002	2.8
95.08609	85.2
97.06521	2.7
97.10164	3.6
99.08088	3.8
105.07016	4.6
107.08575	13.0
107.82707	1.9
109.10156	52.8
111.08068	2.6
111.87280	1.9
113.09645	3.1
119.08555	12.8
120.98009	2.1
121.10172	17.7
123.11702	20.6
124.42300	2.1
133.10164	16.9
135.11681	9.4
137.09604	2.9
137.13248	9.4
147.11655	10.6
149.13248	8.9
151.11180	2.3
151.14809	4.9
161.13216	12.1
163.14868	8.6
165.16368	8.9
165.19820	2.5
175.14771	4.0
189.16367	2.4
245.22589	32.7
263.23685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18154	3.3
55.05506	8.2
57.07072	17.1
67.05510	58.2
69.07066	17.2
71.08633	8.1
79.05484	17.8
79.15154	3.6
81.07064	72.1
83.08621	6.2
91.05490	7.8
93.07029	24.8
95.04968	5.3
95.08604	61.9
97.06492	4.4
97.10162	6.0
98.97566	4.8
99.08112	7.3
102.30956	3.9
105.07035	19.3
107.08575	18.5
109.10141	37.9
111.18282	4.6
116.98643	5.5
118.04183	4.4
119.08567	16.3
121.10129	17.4
123.04425	57.5
123.08028	5.7
123.11693	17.3
133.10136	27.1
135.11656	14.6
147.11702	24.2
149.13271	7.2
151.14752	6.0
161.13249	9.1
175.14854	5.3
189.16331	6.1
223.84875	3.8
240.40001	4.0
245.22630	30.4
263.19992	7.3
263.23682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05519	11.8
56.01379	4.9
57.07086	8.5
60.55834	4.6
67.05512	72.1
69.07076	40.0
71.04987	5.8
79.05496	25.4
81.07068	100.0
83.08630	9.5
91.05492	29.4
93.07021	47.5
95.08607	93.9
97.06538	23.6
97.10201	7.7
102.91690	6.4
105.07047	8.7
107.08604	32.0
109.10189	51.5
113.59338	5.6
119.08577	27.3
121.10129	32.7
123.11715	8.3
124.64163	5.2
126.92354	5.3
133.10161	32.5
135.11674	25.7
136.93756	5.9
137.13237	8.9
147.11650	10.7
149.13298	9.4
151.11134	7.7
157.44087	5.6
161.13211	8.0
163.14900	9.4
188.53081	6.0
199.06438	22.7
203.17987	6.7
205.37946	6.2
217.07417	11.5
245.22546	40.1
263.20023	42.0
263.23694	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	10.9
57.07080	16.2
65.03942	1.4
67.05183	2.3
67.05514	53.7
69.06747	1.2
69.07071	13.9
71.04999	1.6
71.08633	8.7
79.05490	14.5
79.67981	1.6
81.07064	77.3
83.08611	9.3
84.71797	1.5
85.06538	6.1
85.10172	1.8
91.05463	11.5
93.07045	25.9
95.04950	2.6
95.08002	2.8
95.08607	73.1
97.06519	3.6
97.10146	2.8
98.97574	2.0
99.00155	1.3
99.08107	5.9
105.07043	14.6
107.08589	19.8
109.10153	46.3
111.08074	3.7
113.09660	2.7
119.08568	15.5
121.10143	20.5
123.11700	18.7
127.11203	2.2
133.10136	20.5
135.11694	13.6
137.09573	2.8
137.13251	10.8
147.11700	16.9
147.12675	1.9
149.13261	10.8
150.12630	1.7
151.11205	6.1
151.14848	6.6
158.01279	2.6
161.13260	10.7
163.14803	7.6
165.12756	2.0
165.16414	3.2
175.14772	10.5
179.18024	1.7
189.16391	3.0
203.17868	2.0
205.19501	1.8
241.12393	1.5
245.22643	32.7
263.16489	2.2
263.20593	3.5
263.23688	100.0
277.04858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05500	10.3
67.05499	40.4
74.23776	7.9
79.05499	13.2
81.07034	68.1
85.16248	9.6
91.05499	15.4
91.72305	7.6
92.35121	8.2
92.36371	9.5
93.07063	17.8
95.08607	56.0
105.07017	13.2
107.72694	10.1
109.10153	45.1
111.08005	10.9
119.08541	11.5
121.10101	14.9
123.11721	16.9
131.65195	8.7
133.10156	20.1
134.78706	9.7
136.59154	9.5
167.43845	9.9
217.84549	9.8
245.22615	47.2
263.23709	100.0
278.70752	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27615	1.2
53.03953	6.0
55.01884	99.7
57.03435	10.4
57.73700	1.2
61.02894	1.2
66.93737	1.2
69.03435	45.0
71.04990	9.6
73.02921	28.9
81.03422	39.0
85.02911	100.0
87.23425	1.2
97.02902	20.0
99.04463	32.5
102.01913	15.5
102.34724	1.3
109.02889	31.5
115.03926	31.8
120.02933	2.9
121.06487	10.8
124.07529	1.5
125.07870	1.5
126.03220	1.6
127.03915	57.3
129.07170	1.6
132.08087	1.5
136.06111	1.5
137.05956	2.2
145.04997	10.1
146.61301	1.5
154.29436	1.4
161.05968	1.8
162.03944	2.8
164.07027	1.8
178.08571	2.7
192.10179	2.5
198.05463	6.5
199.06035	12.1
210.75122	1.8
218.08052	10.7
221.05969	1.5
242.09877	5.1
256.09683	1.5
264.08606	8.2
264.11438	3.0
264.15970	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1228
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
56.37883	0.7
57.03434	1.4
69.03425	1.2
69.63544	0.7
69.94704	0.7
73.02930	0.9
75.91115	0.7
85.02903	5.0
91.05484	11.8
97.02895	1.7
99.04434	1.1
103.05461	1.2
105.07031	18.7
112.03975	1.4
117.05746	0.9
117.06999	1.3
119.07310	1.3
120.08100	30.9
127.03954	1.2
129.07025	2.8
130.06532	5.7
132.08084	42.6
134.09673	7.1
144.08104	14.4
156.08089	3.3
162.09146	7.3
168.08093	1.3
169.46718	0.8
174.09178	1.3
177.07866	0.9
186.09129	3.5
190.08549	0.9
204.10307	1.7
216.10150	1.0
219.10156	3.8
246.11250	4.4
264.12305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98252	0.2
55.01871	0.2
57.40168	0.2
59.39204	0.2
63.84405	0.3
72.15598	0.3
77.00619	0.2
85.02903	1.3
86.06056	1.1
99.99853	0.3
100.64895	0.3
115.08657	0.5
117.49892	0.3
126.87661	0.3
159.48166	0.2
165.06931	2.2
166.07780	1.9
167.08421	0.9
177.06993	0.6
178.07796	0.5
179.08534	1.7
181.06487	1.3
181.10056	2.4
181.82266	0.3
189.07011	1.4
190.07803	2.3
191.08545	22.2
194.07246	5.8
195.08054	1.8
202.07698	0.4
203.08493	0.4
205.06480	6.8
207.08054	5.0
208.08818	1.8
209.09596	13.4
217.06514	0.3
218.07198	1.2
219.05876	0.7
219.08031	19.5
221.06015	0.4
222.06741	22.9
223.07492	3.6
229.07532	0.5
233.05925	2.4
234.06688	0.6
235.07523	1.3
236.08334	1.7
237.09079	27.9
247.07489	5.0
248.08357	1.0
250.06194	9.6
265.08569	100.0
281.17911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0858
Annotation	2'-Hydroxyfurano[2'',3'':4',3']chalcone
Peak:m/z	Relative Intensity
51.57085	0.3
55.01873	0.6
57.75539	0.3
69.03412	0.6
81.03423	0.4
85.02911	4.2
85.06548	0.5
90.57362	0.4
97.02889	0.6
127.03904	0.6
147.04453	0.7
163.03891	1.6
165.05566	0.4
165.06973	2.1
166.07739	0.8
167.08559	0.7
176.06187	0.4
177.06937	1.2
179.08548	2.0
181.06508	0.7
181.10118	1.7
183.99478	0.4
189.07019	0.6
190.07764	2.0
191.08549	23.5
193.30103	0.3
194.07259	6.0
195.08084	3.2
202.07649	0.4
205.06474	7.6
206.07286	0.5
207.08034	3.9
208.08839	2.0
209.09607	14.7
217.06363	0.4
219.08044	15.9
221.05893	0.5
222.06729	24.5
223.07503	3.1
229.07622	0.4
233.05943	3.7
234.06746	0.5
235.07520	0.7
236.08267	0.7
237.09082	31.1
247.07419	5.6
247.90637	0.4
248.08281	0.7
250.06197	8.9
265.08572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0857
Annotation	R162
Peak:m/z	Relative Intensity
50.34916	0.2
53.04547	0.2
61.03542	0.3
64.26334	0.2
64.70487	0.3
85.02897	1.5
97.02870	0.3
165.06998	1.7
166.07808	1.3
167.08624	0.6
169.21440	0.3
177.07014	1.9
178.07727	0.4
179.08565	1.6
181.06483	1.3
181.10138	3.1
189.06979	0.6
190.07822	2.2
190.73384	0.3
191.08557	24.8
193.06523	0.4
194.07281	6.3
195.08090	2.6
203.08521	0.3
204.13585	0.3
205.06477	6.2
206.07246	0.5
207.08005	4.4
208.08820	1.8
209.09641	13.9
218.07130	0.4
219.08051	18.5
221.06033	0.7
222.06741	23.6
223.07495	2.9
229.07745	0.6
233.05957	3.0
234.06729	1.2
235.07442	0.5
236.08273	1.4
237.09091	29.4
241.97752	0.4
247.07495	5.3
248.08368	0.7
250.03839	0.6
250.06250	10.0
265.08588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36722	0.1
53.03955	0.1
57.03439	0.1
68.31256	0.1
69.03429	0.8
77.18851	0.1
81.03440	0.2
81.07040	0.2
85.02914	2.8
85.03387	0.2
85.06554	0.2
91.05469	0.1
95.05005	0.2
97.02898	0.5
99.04482	0.2
109.02873	0.6
117.32481	0.1
121.02820	0.1
121.06467	0.2
122.06873	0.1
127.03937	0.7
133.06387	0.1
145.04912	0.5
145.10114	0.2
147.04468	0.2
159.08076	0.3
165.07018	0.7
166.07733	0.2
167.07059	0.2
167.08405	0.2
176.06190	0.3
177.05634	0.2
177.07021	2.9
181.10060	0.3
187.07550	0.2
189.06987	0.7
191.08511	2.3
193.06447	0.2
194.07248	3.5
202.06244	0.2
204.05730	0.3
205.06483	24.4
206.07315	0.3
207.08057	0.3
209.09584	1.1
215.07033	0.2
217.08614	3.0
218.07224	0.2
219.04382	0.2
219.08046	2.0
221.06024	0.3
222.06754	10.0
233.05966	29.0
234.06664	1.8
237.09084	32.5
243.73553	0.1
247.07448	1.2
247.09656	0.1
250.06219	7.8
251.06953	0.3
265.08575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.88612	0.2
57.03418	0.3
59.09760	0.2
61.02941	0.3
69.03408	1.2
72.06344	0.2
81.03413	0.5
85.02909	5.2
85.06573	0.5
91.53487	0.3
92.21569	0.3
97.02879	0.4
109.02897	0.4
127.03903	1.5
134.52240	0.3
145.04964	1.5
145.06485	0.4
155.69968	0.3
165.06912	2.2
166.07791	1.7
167.08560	0.4
176.06345	0.3
177.06999	1.3
179.08569	2.0
181.06471	1.1
181.10139	2.7
189.07030	1.4
190.07768	1.8
191.08549	24.9
193.06528	0.3
194.07274	5.0
195.08081	2.7
202.07657	0.4
203.08553	0.3
205.06476	6.2
206.07227	0.5
207.08044	4.6
208.08812	1.8
209.09622	13.4
218.07303	0.5
219.08037	20.3
220.08955	0.5
221.06032	1.0
222.06740	25.6
223.07530	3.7
229.07689	0.6
233.05923	4.4
234.06656	1.2
235.07542	1.5
236.08261	1.4
237.09084	30.5
247.07518	5.6
248.08287	0.3
250.06215	10.4
265.08572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36636	0.2
56.84883	0.1
69.03419	0.3
77.00635	0.2
81.03376	0.2
85.02909	2.9
86.06049	0.3
91.03951	0.2
97.02851	0.2
108.95806	0.2
115.08652	0.3
120.68069	0.2
127.03899	0.3
130.60086	0.2
139.84831	0.2
140.07036	0.3
145.04994	0.3
147.04335	0.3
152.06192	0.3
153.06908	0.2
165.06924	1.8
166.07756	2.0
167.08586	0.8
168.05777	0.2
173.23578	0.2
176.06209	0.2
177.07024	1.4
178.07787	0.3
179.08591	1.8
179.09906	0.2
181.06476	1.8
181.10085	3.6
189.06985	1.3
190.07779	2.2
191.08548	24.7
194.07275	6.4
195.08046	3.3
201.07039	0.2
202.07805	0.3
204.05594	0.2
205.06482	6.6
206.07169	0.7
207.08035	4.6
208.08774	2.5
209.09604	15.1
217.06514	0.3
217.08659	0.3
218.07259	1.2
219.08046	21.3
220.08701	0.4
221.05977	0.8
222.06741	27.3
223.07487	3.6
229.07620	0.8
233.05965	4.2
234.06721	1.2
235.07532	1.6
236.08231	1.9
237.09085	33.0
247.07513	5.1
248.08351	0.9
250.06221	10.3
265.08572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
52.50510	0.2
55.05517	0.2
55.60317	0.2
65.03943	0.5
66.30769	0.2
72.08156	0.3
79.73786	0.2
83.04973	1.0
85.02888	0.9
91.05474	3.2
112.43441	0.2
119.04942	12.6
120.08101	7.5
147.04407	100.0
165.05470	1.3
224.47572	0.2
237.09201	0.3
251.11758	0.2
265.15457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.01883	2.8
65.87569	1.9
68.91642	1.6
70.65999	1.6
72.44840	1.8
76.17058	1.9
79.05466	2.8
81.03427	12.4
85.02902	8.6
91.05451	1.9
92.20987	3.2
93.74842	2.0
107.04955	18.9
115.05457	7.9
117.07019	21.2
124.05260	2.1
124.95737	1.9
129.06992	4.8
129.50710	2.2
131.04932	3.3
131.08592	13.2
133.06453	2.2
141.07047	7.9
144.05716	10.6
145.06488	62.1
147.08069	4.8
155.04865	3.3
155.06009	4.7
156.05728	2.6
157.06488	8.3
158.07275	2.7
159.08061	27.7
161.05991	8.9
167.07033	48.8
167.08363	3.5
169.06403	4.3
172.05205	2.2
173.05978	100.0
175.07578	9.8
187.07550	24.2
190.06242	37.4
191.07091	10.2
192.07794	3.8
193.08675	8.5
203.07019	12.5
205.06776	3.4
205.08606	86.1
207.10208	3.8
215.07010	11.1
217.08609	50.9
218.09407	15.3
219.10150	24.1
219.13756	4.9
230.56081	2.0
235.09680	11.0
247.09650	37.7
259.02451	2.1
263.60809	2.8
265.08496	11.9
265.11044	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.128
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.19893	0.8
55.01877	1.8
57.03437	4.7
57.07072	1.5
61.02927	7.0
65.88503	1.0
67.05508	1.6
69.03432	20.9
71.04993	1.8
73.02902	2.4
79.05498	1.5
79.09650	0.8
81.03439	8.5
81.07072	1.6
85.02910	100.0
85.06532	7.9
87.04457	1.7
91.03942	2.3
95.04957	1.8
95.08598	1.2
97.02898	17.9
97.06534	1.4
99.04460	6.5
103.03961	1.5
103.07578	1.6
109.02883	13.5
109.06514	1.8
111.04443	1.3
119.08576	2.3
123.08076	1.3
127.03910	25.0
137.05966	1.2
145.04951	15.4
161.99425	1.0
163.15401	1.0
181.08690	1.0
185.68054	1.2
191.08575	5.3
209.09645	2.1
217.08615	4.4
217.10634	1.2
219.08122	2.3
222.06720	6.9
237.09062	6.0
250.06282	4.1
265.08585	25.2
265.15793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	1.3
57.03436	4.7
57.07074	1.3
59.04996	0.7
61.02931	8.3
65.96282	0.5
67.05495	1.1
69.03428	18.6
71.04985	1.5
73.02908	2.8
79.05508	0.7
81.03417	8.7
81.07069	0.7
83.04987	1.5
85.02905	100.0
85.06546	9.4
87.04465	0.9
89.80409	0.5
91.03929	3.2
92.20950	0.9
95.04952	0.9
97.02891	18.2
97.06522	3.1
99.04453	5.3
103.03930	1.4
103.07555	3.6
108.20004	0.7
108.88281	0.6
109.02866	9.3
109.06508	3.3
113.06005	1.2
121.06503	0.7
123.08061	0.7
127.03915	21.9
131.21428	0.6
137.06007	4.5
139.07506	1.1
145.04961	14.9
151.07545	0.9
163.06017	4.4
163.07375	1.8
181.08461	0.6
229.10612	1.2
237.91113	0.6
265.15482	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03433	4.3
57.07079	1.7
59.04989	1.1
61.02924	8.3
67.05508	1.8
69.03435	21.5
71.04993	1.9
73.02904	4.1
77.42460	0.8
77.89378	0.7
78.12715	0.8
81.03419	9.1
85.02905	100.0
85.06541	8.3
86.85467	1.1
87.04468	1.7
91.03959	6.9
93.07078	1.1
97.02898	20.5
99.04443	4.9
102.29397	0.9
103.07600	2.1
106.71326	0.9
109.02872	8.8
109.06513	1.8
115.03922	1.1
121.06580	1.0
122.42454	0.9
127.03906	21.5
128.32782	0.8
131.60205	0.9
131.89627	1.0
145.04951	20.2
153.85893	1.0
163.05988	2.1
224.44341	0.9
265.11795	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1282
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.51527	0.8
53.00302	0.9
53.03955	0.9
54.95454	0.8
56.64774	0.8
57.03436	5.4
57.07077	4.1
59.05003	1.5
60.42786	0.9
61.02939	11.7
66.52587	0.8
67.05493	0.8
69.03440	17.4
71.04989	1.7
73.02929	4.4
74.85541	0.9
76.04315	1.0
81.03417	7.3
81.07082	1.4
85.02910	100.0
85.06563	9.3
87.04478	4.2
91.03949	4.8
91.37173	0.9
95.04982	1.3
97.02887	18.8
99.04444	4.8
103.07597	10.1
109.02877	9.2
109.06484	1.4
117.07095	0.8
117.86548	0.9
127.03917	18.5
145.04955	15.8
157.28345	1.0
163.06065	1.3
171.08022	1.0
174.88663	0.9
181.08540	1.2
247.33794	1.0
265.11844	20.8
265.15024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.128
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.27651	1.0
57.07075	6.5
65.03951	1.5
67.05174	2.0
67.05512	33.8
69.03420	2.0
70.06591	1.6
73.24166	1.1
81.03434	1.6
83.04984	1.9
85.02927	12.2
85.03364	1.5
85.06546	100.0
87.43497	1.0
93.07056	1.2
97.02892	2.5
97.06551	1.3
99.04474	8.4
103.07587	4.4
103.09547	1.1
122.07151	1.7
130.05000	2.1
145.04997	1.6
161.89375	1.5
174.29735	1.2
178.08606	1.4
179.08946	5.4
189.09198	1.1
205.52640	1.2
265.12424	2.4
265.15289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	1.3
57.03436	4.7
57.07074	1.3
59.04996	0.7
61.02931	8.3
65.96282	0.5
67.05495	1.1
69.03428	18.6
71.04985	1.5
73.02908	2.8
79.05508	0.7
81.03417	8.7
81.07069	0.7
83.04987	1.5
85.02905	100.0
85.06546	9.4
87.04465	0.9
89.80409	0.5
91.03929	3.2
92.20950	0.9
95.04952	0.9
97.02891	18.2
97.06522	3.1
99.04453	5.3
103.03930	1.4
103.07555	3.6
108.20004	0.7
108.88281	0.6
109.02866	9.3
109.06508	3.3
113.06005	1.2
121.06503	0.7
123.08061	0.7
127.03915	21.9
131.21428	0.6
137.06007	4.5
139.07506	1.1
145.04961	14.9
151.07545	0.9
163.06017	4.4
163.07375	1.8
181.08461	0.6
229.10612	1.2
237.91113	0.6
265.15482	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92905	0.3
54.86738	0.3
55.01878	0.3
55.05499	0.3
57.03436	0.3
57.07084	3.1
61.02945	0.3
67.05514	3.7
69.03432	1.6
81.03429	0.6
83.04971	0.4
83.25159	0.3
83.57313	0.3
85.02914	9.0
85.03431	0.3
85.06548	100.0
86.09717	0.5
88.91879	0.3
91.03946	0.4
97.02895	1.6
99.04460	0.6
99.14863	0.3
103.07575	2.6
120.08144	0.4
121.08629	1.7
127.03925	1.9
142.30125	0.3
145.04982	1.8
149.01234	0.3
168.30350	0.3
233.07878	0.3
233.47679	0.3
265.08539	0.4
265.12082	1.6
265.15485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1279
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	1.3
57.03436	4.7
57.07074	1.3
59.04996	0.7
61.02931	8.3
65.96282	0.5
67.05495	1.1
69.03428	18.6
71.04985	1.5
73.02908	2.8
79.05508	0.7
81.03417	8.7
81.07069	0.7
83.04987	1.5
85.02905	100.0
85.06546	9.4
87.04465	0.9
89.80409	0.5
91.03929	3.2
92.20950	0.9
95.04952	0.9
97.02891	18.2
97.06522	3.1
99.04453	5.3
103.03930	1.4
103.07555	3.6
108.20004	0.7
108.88281	0.6
109.02866	9.3
109.06508	3.3
113.06005	1.2
121.06503	0.7
123.08061	0.7
127.03915	21.9
131.21428	0.6
137.06007	4.5
139.07506	1.1
145.04961	14.9
151.07545	0.9
163.06017	4.4
163.07375	1.8
181.08461	0.6
229.10612	1.2
237.91113	0.6
265.15482	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.128
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.80252	0.6
53.03948	0.9
55.01873	1.5
57.03435	4.6
57.07071	1.8
59.05006	4.0
61.02934	10.4
63.61022	0.7
64.87603	0.8
67.05504	3.4
68.27544	0.9
69.03435	21.3
71.04978	3.0
72.24577	0.8
73.02922	4.9
73.81027	0.8
75.04516	1.1
81.03429	8.0
83.04977	1.3
85.02907	100.0
85.06542	25.1
87.04482	2.0
91.03966	5.9
97.02899	18.3
99.04460	4.8
103.03916	1.0
103.07592	6.8
109.02892	10.7
109.06528	2.0
110.43338	0.8
111.04461	0.8
115.03931	1.0
127.03910	23.5
132.83336	0.9
145.04945	24.3
147.08116	1.1
163.05998	3.2
203.11725	1.3
217.10764	1.6
247.10896	1.0
265.12302	1.9
265.15460	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Jesterone
Peak:m/z	Relative Intensity
53.16988	0.6
55.01883	1.1
57.07092	0.8
59.05001	0.8
67.05503	0.7
69.03416	1.0
75.39451	0.6
79.05492	2.8
81.07055	5.2
82.46108	0.6
83.45907	0.7
85.02887	0.9
85.06570	0.7
86.68523	0.7
91.05485	1.4
93.07066	1.4
95.08611	1.6
97.02876	0.7
105.06973	0.9
107.08618	4.5
109.06492	1.3
113.02348	4.3
117.06971	1.6
119.08575	3.5
121.06525	1.6
123.04401	1.0
123.08077	0.9
131.08572	0.8
133.10123	1.3
135.08041	9.1
135.11662	0.7
137.06013	0.7
142.69266	0.7
143.08537	1.1
145.06454	2.4
145.10104	1.5
147.08035	1.6
149.05992	1.6
157.10072	1.2
159.08057	0.8
159.11681	4.2
161.06113	0.8
162.06731	0.8
163.07541	14.1
172.08852	2.5
173.05948	1.4
173.13280	0.8
179.07037	4.0
183.11743	1.0
187.11133	8.5
191.07028	100.0
196.08794	1.4
201.12721	3.3
205.12285	1.0
209.08076	14.3
209.13304	0.8
211.11140	4.0
229.12221	17.3
247.13278	37.0
250.13902	0.7
265.14316	22.4
265.19556	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	6-Hydroxyisoquadrone
Peak:m/z	Relative Intensity
55.01865	1.0
55.05502	2.0
55.14259	1.0
57.07076	2.3
59.05008	4.0
67.05498	1.9
69.03410	4.8
69.07063	6.2
71.01348	4.7
71.04994	1.7
79.05488	4.6
81.03406	1.7
81.07059	8.3
83.04990	1.7
85.02903	10.2
91.05462	4.6
93.07042	9.0
95.04965	1.5
95.08598	2.3
96.05259	1.1
97.02871	1.5
97.06535	2.4
97.10162	1.3
99.04440	5.9
105.07034	5.5
107.04942	6.5
107.08593	8.3
109.02911	1.2
109.06510	4.9
109.10160	2.7
111.04429	2.4
111.08096	1.7
113.02377	10.8
113.17327	1.6
119.04890	1.1
119.08580	8.3
121.02857	15.4
121.06496	9.2
121.10129	2.9
123.04421	5.0
123.08025	2.0
125.05997	1.8
127.03931	1.2
131.08546	1.8
133.10103	1.8
135.04428	5.9
135.08031	6.1
135.11685	2.5
137.05981	6.1
137.09671	1.8
145.10078	10.7
147.08035	5.3
149.05959	8.2
151.07585	1.2
157.10083	1.8
159.08040	1.5
159.11656	6.9
161.06003	1.3
161.09634	1.3
163.03889	2.1
163.07521	11.4
163.11179	5.7
165.05475	7.2
167.07060	18.9
169.10060	1.7
173.13234	2.5
177.12788	2.2
179.06995	6.8
181.08551	2.5
181.10030	1.6
183.11713	5.0
187.11205	10.4
191.07021	27.9
195.06496	6.1
198.77483	1.4
201.12790	5.4
205.08551	1.6
205.12198	14.1
209.08101	31.1
209.13252	2.1
219.13800	7.2
222.06654	1.8
223.13133	2.3
229.12283	10.1
233.06049	2.0
247.10947	2.4
247.13290	29.2
247.16713	1.5
265.08585	12.1
265.14331	100.0
265.19812	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Enokipodin C
Peak:m/z	Relative Intensity
55.01874	5.9
55.05521	5.8
67.05507	12.5
69.03437	2.6
69.07053	2.0
70.09074	1.3
72.17797	1.3
78.31059	1.3
79.05491	10.2
81.03413	5.8
81.07056	10.0
83.05003	2.6
83.08611	2.9
85.02907	10.1
85.06556	2.3
91.05481	9.0
93.07030	8.8
95.04995	11.0
95.08607	9.1
97.06554	2.4
105.07025	2.4
107.04956	31.6
107.08581	7.8
109.02874	1.7
109.06524	3.1
109.10139	2.0
111.08095	1.8
117.07025	7.1
119.08556	6.1
121.02870	66.8
121.06517	8.8
121.10136	3.5
123.04401	1.8
123.08080	1.8
131.04968	1.7
131.08536	10.6
133.06485	3.2
133.10136	1.7
135.04434	41.9
135.08067	2.7
135.11711	2.7
137.05997	3.0
141.07007	2.8
145.10133	1.8
147.08020	2.5
147.11771	1.9
149.05980	2.1
155.08549	5.6
157.10143	1.7
159.08081	2.6
159.11691	2.5
173.13255	6.6
183.11681	10.3
201.12691	10.1
211.11298	1.6
218.01717	3.4
219.13768	16.7
229.12169	3.0
237.09076	2.2
247.13286	100.0
265.08487	6.0
265.17981	2.1
265.21863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90057	0.5
55.05517	8.1
57.05809	0.6
57.07074	2.7
58.02943	0.5
59.22562	0.6
61.02924	1.0
62.14190	0.4
67.05504	8.9
69.03423	2.5
70.53558	0.5
72.08154	100.0
73.02924	0.5
76.86323	0.5
81.03429	2.1
85.02892	11.1
85.06541	30.5
85.40251	0.4
87.04488	0.6
89.36568	0.6
95.05008	0.7
95.08526	0.5
97.02889	2.0
103.07555	0.7
109.02885	1.3
113.06010	0.6
120.08089	11.7
121.02850	0.7
127.03900	3.0
131.04938	0.7
145.04950	2.2
166.08627	9.7
247.17363	3.6
265.08536	0.8
265.15543	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90057	0.5
55.05517	8.1
57.05809	0.6
57.07074	2.7
58.02943	0.5
59.22562	0.6
61.02924	1.0
62.14190	0.4
67.05504	8.9
69.03423	2.5
70.53558	0.5
72.08154	100.0
73.02924	0.5
76.86323	0.5
81.03429	2.1
85.02892	11.1
85.06541	30.5
85.40251	0.4
87.04488	0.6
89.36568	0.6
95.05008	0.7
95.08526	0.5
97.02889	2.0
103.07555	0.7
109.02885	1.3
113.06010	0.6
120.08089	11.7
121.02850	0.7
127.03900	3.0
131.04938	0.7
145.04950	2.2
166.08627	9.7
247.17363	3.6
265.08536	0.8
265.15543	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
55.01872	0.3
55.05522	0.4
57.03438	0.8
57.07078	0.6
58.43015	0.4
61.02918	0.6
65.15343	0.3
67.05505	1.9
69.03420	2.0
72.08154	5.4
81.03407	0.8
84.14291	0.5
85.02913	7.8
85.06537	4.9
86.09701	0.6
93.07039	0.6
97.02910	3.6
99.04475	0.8
102.21653	0.4
103.05463	1.8
103.07575	0.8
109.02903	0.5
117.03360	0.4
118.08665	1.0
120.08105	100.0
121.02870	0.9
121.06509	0.6
127.03925	2.2
129.90590	0.4
145.02849	7.0
145.04912	0.7
150.29329	0.4
163.59978	0.4
177.05466	23.3
219.14963	1.9
247.14507	0.6
248.12846	1.8
265.08774	1.6
265.12543	1.6
265.15424	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71680	0.3
54.14342	0.3
63.31503	0.3
72.07885	0.3
72.08163	4.9
81.82926	0.3
85.01892	0.4
85.02904	0.5
89.03916	0.6
89.10798	3.5
93.76448	0.4
98.06042	0.6
115.08657	0.6
117.03381	3.7
120.08076	2.8
145.02847	34.9
149.05927	1.7
174.02542	0.3
177.05461	100.0
191.08556	0.4
204.67310	0.4
222.06456	0.4
248.12880	4.2
265.08591	2.3
265.12607	1.1
265.15451	15.4
289.89502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.60535	0.2
55.05278	0.4
55.05519	7.6
57.05819	1.0
57.13856	0.2
61.02940	0.2
72.08158	100.0
74.58530	0.2
85.02905	2.9
89.70956	0.3
97.02853	0.4
120.08100	11.9
127.03906	0.4
145.05016	0.3
149.06056	0.3
153.81181	0.2
166.08635	11.0
219.14966	1.1
237.11809	0.3
243.58142	0.2
247.17363	1.0
265.15451	4.4
267.16122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1545
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.04989	0.4
64.24818	0.3
69.03443	0.7
72.08165	5.8
85.02895	2.4
85.06564	1.5
89.03931	0.7
89.10800	3.1
97.02907	0.6
103.07592	0.8
115.08698	0.7
117.03360	2.8
120.08102	12.9
127.03915	0.3
145.02850	34.1
146.65669	0.3
149.05995	1.6
168.72432	0.3
177.05463	100.0
191.08588	0.7
209.09642	0.6
219.08102	0.8
219.14662	0.4
222.06779	1.3
223.78177	0.4
237.09093	1.2
248.12794	6.1
265.08630	8.5
265.12622	1.3
265.15417	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	Nardosinanol G
Peak:m/z	Relative Intensity
55.01874	5.7
55.05515	8.1
55.96229	4.1
57.03428	6.1
59.04998	5.5
67.05511	31.3
69.03431	8.8
69.07075	24.6
79.05509	44.5
80.06272	3.9
81.03437	4.6
81.07059	47.8
83.04982	6.6
83.08627	23.0
85.02903	23.9
85.06547	7.0
91.05512	30.1
93.07047	47.0
95.04978	8.0
95.08601	36.7
97.02906	4.6
97.06529	22.6
105.07034	40.6
107.04980	5.7
107.08588	79.7
109.06516	10.2
109.10159	20.0
111.08073	27.9
117.07030	24.0
117.54710	4.0
119.08549	33.1
121.02889	4.9
121.06512	6.8
121.10135	43.0
123.08044	6.3
123.11733	6.2
127.03838	5.1
129.07079	5.5
131.08553	52.5
133.06514	7.8
133.10121	34.1
135.08055	28.1
135.11710	16.7
137.06018	5.8
137.09628	21.9
143.07057	4.7
143.08534	5.6
145.06520	8.5
145.10127	43.9
147.08064	7.6
147.11736	18.8
147.13290	3.9
149.09610	59.4
151.11133	6.2
155.08377	5.4
157.10143	16.4
159.08038	6.4
159.11699	5.9
163.11137	16.7
165.09085	6.6
167.07083	7.8
167.10588	5.7
169.10152	10.2
173.05974	6.2
175.11235	6.6
183.11632	7.4
183.33559	4.2
187.14844	26.9
190.06326	5.1
191.07036	14.4
201.12749	7.2
201.16385	25.1
205.08559	9.8
211.14821	52.1
219.13725	17.7
229.15878	46.4
237.09148	4.7
247.13254	16.3
247.16936	100.0
260.35034	3.9
265.08575	19.3
265.14786	8.2
265.17789	77.6
277.44305	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17388	2.9
50.55201	1.9
67.05518	6.2
69.07053	3.6
73.02982	2.4
73.29260	2.3
81.07059	13.0
81.93945	2.5
85.02901	14.7
89.02306	2.8
91.05465	4.0
93.07021	4.3
95.08599	12.0
96.25380	2.5
105.07049	3.5
107.08585	4.5
108.05312	2.9
109.06503	3.7
109.10153	4.6
109.31212	2.4
111.08051	2.6
119.08627	2.9
121.10157	2.4
131.08501	3.0
157.10143	4.7
167.08615	2.8
169.10057	4.1
171.11687	3.4
173.05988	3.6
173.13191	2.6
181.10155	5.8
183.11670	12.3
195.11656	14.6
197.13298	3.5
208.12460	2.9
209.13319	27.4
223.14839	32.3
236.15370	4.8
250.17075	5.5
265.08798	2.8
265.19516	100.0
265.22128	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29404	1.1
56.34579	1.1
66.85209	1.1
67.05499	1.9
69.07066	2.0
79.05501	1.7
81.07062	5.2
82.91571	1.4
85.02907	2.9
91.05464	1.6
92.21539	1.6
95.08605	7.1
105.07043	6.3
107.08620	2.7
109.10139	1.9
119.08580	5.6
121.10114	2.0
131.08568	1.7
133.10129	2.2
135.02466	1.2
135.11754	2.0
143.08569	1.8
145.10138	2.1
157.10152	6.1
167.08646	5.6
169.10138	3.0
171.11693	6.0
177.19011	1.3
179.08588	2.5
180.09375	2.3
181.10115	14.1
183.11621	12.1
185.13269	2.3
189.84953	1.3
193.10175	3.0
194.10866	6.2
195.11711	21.8
197.13309	5.7
197.75630	1.2
208.12593	1.8
209.13231	33.1
211.14763	1.8
221.13374	2.4
222.14009	4.9
223.14806	31.5
236.15642	8.6
237.16275	2.2
250.17189	6.3
265.08609	2.0
265.19543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05523	3.3
67.05509	93.4
69.07060	11.8
71.04958	2.9
79.05495	11.5
81.03420	2.7
81.07059	100.0
83.08613	4.7
85.02902	13.9
91.05463	3.9
93.07034	14.2
95.08612	86.0
105.07016	2.9
107.08595	9.9
108.62175	2.8
108.84628	2.5
109.10164	79.9
117.06976	3.2
119.08549	4.0
121.10134	11.5
122.78971	2.9
123.08017	3.5
123.11711	38.8
124.14413	2.7
124.32441	2.5
131.08606	5.0
133.10091	5.6
133.61771	2.7
135.11690	9.7
137.13219	3.5
145.06529	5.0
145.10201	3.0
149.13287	4.9
159.08949	2.6
167.07025	3.1
173.05980	13.7
178.75977	2.5
190.06277	4.0
205.08598	10.0
217.08521	9.4
218.09415	3.5
237.09048	4.7
265.08588	19.5
265.19077	3.9
265.21658	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26931	1.7
55.05519	31.8
57.07084	16.7
67.05513	34.1
69.07070	42.7
71.08627	10.8
79.05509	15.0
81.07060	44.8
83.08629	43.0
85.10184	4.2
93.07048	18.5
95.08607	48.8
97.06544	10.3
97.10162	29.2
99.08073	4.2
107.08583	15.7
109.10137	20.7
111.08082	11.0
111.11730	10.4
121.10139	37.0
122.15487	2.0
123.11706	5.0
135.11708	36.2
135.61136	2.1
137.13174	2.3
149.13266	14.1
151.14767	2.7
163.14792	3.2
163.57022	2.0
165.16376	2.9
180.94331	2.6
189.75917	2.2
221.94930	2.2
247.24146	27.4
265.25232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	27.7
57.07088	18.9
58.80300	2.1
61.89213	2.1
64.95976	2.1
67.05499	26.8
69.07074	67.3
69.83237	2.5
71.08616	11.8
79.05492	5.2
81.07063	39.1
83.08614	49.0
85.06564	4.7
85.10185	3.2
93.07046	15.5
95.08607	45.7
97.06545	4.8
97.10172	43.5
107.08605	12.5
109.10169	21.6
111.08098	6.1
111.11723	22.5
121.10145	26.2
123.11691	11.5
125.13242	2.7
129.12720	2.5
135.11691	30.3
149.13249	18.6
151.14842	2.9
163.14827	10.2
242.40738	3.0
247.24165	23.9
259.40131	2.4
265.25229	100.0
272.67999	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	32.9
57.07071	17.9
67.05515	30.2
69.07072	80.2
71.08625	8.0
79.05486	7.9
81.07056	44.1
81.96135	3.0
83.08614	60.4
85.06556	4.7
85.10189	4.3
89.40679	2.9
93.07049	20.6
95.08611	48.3
97.06537	6.4
97.10172	60.1
107.08577	7.0
109.10155	35.7
111.08095	6.0
111.11726	15.8
117.80709	4.2
119.11424	3.2
121.10143	23.7
123.11700	6.6
125.09589	4.4
135.11700	31.6
149.13266	18.4
247.24310	35.3
265.25238	100.0
265.27838	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.67255	1.7
53.79081	2.1
55.05321	1.8
55.05522	31.0
57.03434	2.7
57.07092	15.9
61.14957	1.7
61.31394	1.6
67.05514	25.9
69.07073	63.0
71.05000	2.8
71.08625	10.9
76.60461	1.9
78.85516	2.5
79.05491	15.7
81.07060	37.2
83.08618	60.8
85.07642	2.2
85.10196	3.0
93.07033	16.1
95.08611	43.0
97.06531	9.2
97.07629	3.9
97.10159	42.1
102.63246	1.9
107.08591	9.8
109.07629	3.7
109.10169	24.2
111.08045	11.5
111.11728	15.1
121.10141	22.9
123.11699	14.6
125.09673	3.2
135.11693	34.5
147.71086	2.3
149.13269	15.6
163.14784	5.1
171.18491	2.1
174.10329	2.3
186.47359	2.1
247.24146	24.6
255.42445	2.2
265.17575	10.6
265.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19048	1.8
53.59303	2.0
55.05522	27.3
57.07074	13.7
57.83640	2.0
67.05495	22.3
69.07073	65.4
71.04988	4.1
71.08640	10.9
75.65157	2.0
79.05489	12.6
81.07062	44.6
83.08633	49.4
83.18186	2.4
85.06522	4.9
85.10215	2.4
89.81815	2.1
93.07047	19.7
95.08614	49.1
97.06528	12.3
97.10173	41.3
99.08097	2.7
107.08591	14.1
109.10152	26.2
111.08043	9.7
111.11723	14.4
121.10162	21.9
123.11688	8.9
135.11740	27.2
137.13257	4.1
149.13249	11.8
150.24167	2.3
163.14903	4.4
191.17960	3.4
247.24219	25.4
265.25256	100.0
266.04877	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.38681	3.8
55.05516	33.7
55.64122	3.6
57.07069	17.9
66.53675	3.9
67.05506	26.4
69.07076	72.1
71.06105	3.9
71.08627	6.6
79.05506	8.2
81.07065	51.4
83.08634	47.6
88.59684	4.3
91.86393	3.9
93.07039	21.5
95.08593	37.5
97.06527	5.1
97.10195	35.0
106.62530	4.3
107.08623	10.7
109.10153	24.4
111.11765	6.8
121.10126	25.8
122.71375	5.0
123.11707	11.0
135.11696	30.7
149.13228	7.1
165.16292	4.8
172.97397	4.1
199.06763	4.7
223.11382	4.3
247.24261	29.1
265.25229	100.0
265.31958	4.4
270.77252	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	22.3
57.07069	16.3
67.05508	38.6
67.85491	2.5
68.92014	2.1
69.07072	57.2
71.08637	5.7
74.43752	2.6
75.72222	2.4
79.05489	17.2
81.07049	40.9
83.08627	44.2
92.20959	3.0
93.07040	24.3
93.19316	2.8
95.08599	51.9
97.06544	4.3
97.10161	33.2
102.94249	2.7
103.37292	2.6
107.08593	16.9
109.10175	25.6
111.08075	5.3
111.11698	11.1
121.10124	48.1
123.11719	4.9
135.11690	32.4
147.18834	2.4
149.13248	15.5
163.14777	6.7
200.65945	2.5
247.24142	28.1
247.26328	3.2
265.25232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	28.2
57.03437	4.5
57.07077	22.1
65.91006	2.6
67.05517	33.0
69.07070	62.0
71.08623	11.3
79.05495	17.1
81.07062	51.1
83.08620	52.0
89.39489	2.7
91.05524	3.1
93.07043	26.3
95.08608	55.1
97.06506	13.1
97.10168	38.6
107.08579	24.1
109.10165	31.6
111.08085	5.1
111.11713	13.9
121.10152	51.1
123.11713	12.6
125.09574	3.4
127.59106	2.8
135.11664	38.1
139.11142	5.4
139.35913	2.6
139.40236	3.4
149.13249	14.7
151.14827	3.2
231.04298	3.0
247.24164	29.2
265.21652	5.9
265.25198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
51.04097	2.7
51.41808	2.7
52.96844	3.4
55.05521	27.5
57.07083	25.0
59.04998	3.3
67.05502	40.1
69.07071	55.2
71.08616	4.3
74.68066	3.2
79.05491	16.3
81.07063	43.6
83.08631	52.8
85.75222	3.2
86.76723	3.4
93.07044	21.3
93.27015	3.5
95.08614	52.4
97.06530	16.0
97.10175	36.9
102.31386	3.2
107.08604	18.6
109.10172	25.0
111.08060	7.3
111.11737	6.5
121.10143	52.3
123.11721	7.6
125.09714	4.2
135.11665	42.2
149.13258	15.4
163.14896	3.6
247.24144	32.6
265.25229	100.0
265.27884	5.6
270.51147	4.6
279.33875	4.5
288.60452	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05524	22.3
57.07069	16.3
67.05508	38.6
67.85491	2.5
68.92014	2.1
69.07072	57.2
71.08637	5.7
74.43752	2.6
75.72222	2.4
79.05489	17.2
81.07049	40.9
83.08627	44.2
92.20959	3.0
93.07040	24.3
93.19316	2.8
95.08599	51.9
97.06544	4.3
97.10161	33.2
102.94249	2.7
103.37292	2.6
107.08593	16.9
109.10175	25.6
111.08075	5.3
111.11698	11.1
121.10124	48.1
123.11719	4.9
135.11690	32.4
147.18834	2.4
149.13248	15.5
163.14777	6.7
200.65945	2.5
247.24142	28.1
247.26328	3.2
265.25232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02537	0.8
52.77302	1.0
85.02927	1.2
86.65412	1.2
101.31199	1.2
104.39834	1.0
116.98621	1.7
119.01906	2.2
134.33189	1.2
177.01031	2.8
182.99791	1.6
201.00749	5.6
201.02498	4.1
219.02000	19.8
219.94498	1.3
220.02011	3.9
243.01894	12.1
261.03043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02537	0.8
52.77302	1.0
85.02927	1.2
86.65412	1.2
101.31199	1.2
104.39834	1.0
116.98621	1.7
119.01906	2.2
134.33189	1.2
177.01031	2.8
182.99791	1.6
201.00749	5.6
201.02498	4.1
219.02000	19.8
219.94498	1.3
220.02011	3.9
243.01894	12.1
261.03043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1018
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
51.21946	0.5
55.01879	3.9
56.94654	0.6
69.03453	1.0
73.02921	2.9
75.43236	0.7
78.82650	0.6
80.05019	4.0
85.02913	4.1
86.06054	0.7
87.04474	31.0
91.05503	0.7
94.25941	0.7
97.02872	1.0
98.03288	0.7
98.06071	3.1
101.02388	9.5
106.06521	1.2
108.02248	0.6
110.03386	0.6
116.07063	1.1
118.06557	1.3
118.77610	0.7
120.08083	3.4
121.06496	8.5
127.03990	0.7
134.06013	52.6
136.06226	2.8
136.07582	18.5
147.41197	0.7
148.07567	8.1
149.94125	0.7
153.65678	0.7
162.05490	28.2
163.03653	0.8
164.07207	1.0
166.08626	100.0
174.09171	1.1
175.03809	0.7
179.61574	0.8
180.06570	11.2
190.08612	7.8
192.06621	1.7
202.08572	4.9
207.06456	1.4
218.08192	3.6
220.09698	4.8
220.13318	0.8
230.10239	2.6
236.09248	3.7
248.09044	2.5
248.11333	7.2
266.10229	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1387
Annotation	3097B2
Peak:m/z	Relative Intensity
69.03436	2.2
70.06605	1.5
79.05521	1.9
81.03449	1.6
85.02902	4.2
86.06075	4.6
87.04456	8.2
96.04566	1.3
97.02888	5.1
98.06066	10.4
99.04446	1.0
103.05464	1.3
104.07147	1.4
105.07037	100.0
106.58822	1.1
109.02897	4.0
116.07085	9.4
117.07063	1.4
117.22359	1.0
121.06518	19.2
122.09669	1.8
126.05596	1.1
128.07114	1.6
130.95250	1.0
132.08099	1.4
134.09653	34.2
136.06212	1.9
144.06558	1.0
146.09677	1.3
148.07509	1.6
162.09117	1.4
164.07033	2.4
165.98990	1.1
174.05933	1.1
174.07535	1.1
182.08197	4.3
182.29077	1.2
183.97797	1.1
192.10175	13.2
193.07455	1.1
194.08215	4.9
202.08650	2.5
206.11890	1.7
212.09204	1.7
220.13350	2.0
230.10304	6.3
248.11021	30.4
266.09943	2.2
266.13953	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88843	0.5
60.08171	1.2
68.46069	0.4
69.03431	3.2
70.06589	0.9
73.02905	2.6
81.03419	0.8
85.02901	3.0
86.05605	0.5
86.06078	8.5
87.04480	10.6
97.02898	5.3
98.06055	16.1
99.04464	1.9
104.07083	2.5
104.10746	50.2
105.11064	1.2
105.62415	0.5
109.02885	2.1
110.06081	0.7
116.07089	12.1
126.05497	0.8
127.03903	2.6
128.07051	3.3
128.11722	0.5
144.06581	1.0
146.08133	0.7
153.05518	0.7
155.63379	0.5
164.07045	1.0
182.08153	7.7
194.08102	4.0
212.09204	1.0
230.10258	10.2
247.56230	0.6
248.11282	35.9
266.12451	10.0
266.15970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88843	0.5
60.08171	1.2
68.46069	0.4
69.03431	3.2
70.06589	0.9
73.02905	2.6
81.03419	0.8
85.02901	3.0
86.05605	0.5
86.06078	8.5
87.04480	10.6
97.02898	5.3
98.06055	16.1
99.04464	1.9
104.07083	2.5
104.10746	50.2
105.11064	1.2
105.62415	0.5
109.02885	2.1
110.06081	0.7
116.07089	12.1
126.05497	0.8
127.03903	2.6
128.07051	3.3
128.11722	0.5
144.06581	1.0
146.08133	0.7
153.05518	0.7
155.63379	0.5
164.07045	1.0
182.08153	7.7
194.08102	4.0
212.09204	1.0
230.10258	10.2
247.56230	0.6
248.11282	35.9
266.12451	10.0
266.15970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2113
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
52.77697	1.3
55.05507	2.8
56.05040	2.2
56.75616	1.2
58.06604	5.6
61.61013	1.5
62.65220	1.3
67.05505	15.4
69.07066	6.2
71.05009	1.5
78.13144	1.7
79.05490	8.3
81.07069	14.6
82.06583	3.4
84.08127	5.5
91.05476	2.7
93.07043	11.9
95.08597	14.5
96.08129	3.0
98.09692	3.1
101.92806	1.4
105.07018	2.2
107.08577	7.3
110.09669	8.8
112.11225	2.1
119.08603	3.1
119.59531	1.4
121.10140	2.9
124.11232	2.5
126.08984	1.4
133.10097	3.1
135.11743	2.3
152.00278	1.5
152.10696	2.2
212.16527	2.0
248.20105	11.5
266.21127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	5.8
59.78117	3.0
63.61117	3.6
67.05508	32.2
68.80818	4.2
69.07064	7.4
79.05486	17.6
81.07057	33.5
83.08619	25.9
91.05489	22.4
93.07037	28.5
94.06548	5.9
95.08598	37.2
97.06534	7.5
99.08114	4.3
105.07050	7.7
107.08607	23.7
109.10168	8.8
111.08072	4.9
119.08584	27.3
121.10137	63.4
123.08094	5.5
125.09657	7.9
131.08597	16.3
133.10168	35.8
135.08070	8.9
135.11722	20.7
137.09593	48.9
139.07532	8.3
141.70549	3.5
145.10126	8.8
146.28169	4.2
147.11699	18.4
149.09592	9.4
151.11189	9.0
157.29494	4.4
170.07730	4.3
189.79874	4.2
203.17963	7.2
203.98790	4.3
212.61623	4.8
213.16365	26.1
220.16988	16.7
231.17445	23.2
232.90384	4.6
248.11411	4.0
248.20148	5.0
249.18460	100.0
266.17413	4.8
266.18137	5.3
266.21136	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98222	1.9
54.73268	2.3
55.05519	36.2
55.55241	2.2
56.05035	3.3
56.05859	2.9
57.07071	14.7
57.45892	2.0
66.60455	2.4
67.05511	33.6
68.05843	3.6
69.07076	53.9
70.07412	20.2
71.08624	9.5
72.08984	2.8
72.34291	2.8
79.05499	5.5
80.05813	2.3
81.07062	52.3
82.07391	14.4
83.08625	40.1
84.08955	21.2
85.10178	4.7
91.39013	2.4
93.07059	12.4
94.07398	8.1
95.08604	53.9
96.08949	19.3
97.06541	3.3
97.10165	35.8
98.10516	22.6
107.08616	3.5
108.08948	10.4
109.10167	18.3
110.10492	5.8
111.08047	3.1
111.11717	8.3
112.12031	5.1
121.10132	15.1
122.10474	13.9
123.11699	3.9
124.12009	4.0
135.11685	14.4
136.04655	2.1
136.12012	12.9
149.13206	4.6
150.13602	5.8
168.09178	2.6
191.18117	2.6
192.18263	2.3
248.24554	32.5
266.25589	100.0
266.28442	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34307	0.2
59.04997	0.4
60.00609	0.2
64.39173	0.2
67.05504	0.4
68.34484	0.2
69.56216	0.3
70.06590	0.3
72.04488	0.4
85.02903	0.3
85.06565	0.2
86.09713	0.3
87.04463	1.4
94.06583	2.8
100.03980	1.0
106.06533	0.4
109.06458	0.3
112.03969	0.2
118.05028	0.5
122.06036	2.5
134.19453	0.3
135.57204	0.2
150.05501	100.0
162.05457	0.9
168.06544	1.3
208.06169	0.4
249.08827	0.3
249.11655	1.0
267.09808	6.7
267.12460	0.4
267.13702	0.3
267.16324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
57.03448	18.9
61.02929	15.3
67.05505	1.8
69.03433	57.4
71.04994	2.4
71.96342	1.4
73.02931	2.2
75.08575	1.3
75.09058	1.3
81.03406	3.3
82.17734	1.5
83.04984	19.5
85.02911	20.9
87.04483	2.0
90.16032	1.4
91.03956	9.3
91.05486	9.1
93.07037	51.4
95.04994	1.8
95.08616	2.4
99.04456	2.8
105.07044	10.2
107.08589	2.1
109.10130	2.0
111.04436	9.0
121.06502	100.0
129.05464	12.0
147.06523	8.6
147.11694	2.2
147.76277	1.6
168.25381	1.6
201.21625	1.5
267.21078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02100	0.7
54.15396	0.6
55.37811	0.6
58.54179	0.7
60.97438	0.6
62.75734	0.7
69.03448	1.1
71.06924	1.0
73.27379	0.8
73.87056	0.8
77.99290	0.7
85.02908	1.2
86.06075	7.9
87.04471	15.0
87.05946	0.7
87.06398	6.4
88.04798	8.5
96.04490	0.8
96.52313	0.6
97.02896	4.3
98.03227	4.9
98.06052	13.5
99.06394	15.2
104.04258	0.8
104.07114	3.3
104.10747	1.2
105.07457	1.5
109.02857	0.8
116.07108	12.1
117.07439	8.7
117.99786	0.8
127.03923	1.0
127.05823	1.0
128.04326	1.1
128.07085	2.8
129.07433	4.9
129.31558	0.7
138.05515	3.0
141.07381	0.9
144.06537	0.8
145.06918	1.4
165.07358	1.8
177.07373	0.8
183.08479	13.7
195.08508	6.7
213.09578	4.1
231.10558	21.7
249.11624	100.0
267.12692	23.1
267.16272	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02100	0.7
54.15396	0.6
55.37811	0.6
58.54179	0.7
60.97438	0.6
62.75734	0.7
69.03448	1.1
71.06924	1.0
73.27379	0.8
73.87056	0.8
77.99290	0.7
85.02908	1.2
86.06075	7.9
87.04471	15.0
87.05946	0.7
87.06398	6.4
88.04798	8.5
96.04490	0.8
96.52313	0.6
97.02896	4.3
98.03227	4.9
98.06052	13.5
99.06394	15.2
104.04258	0.8
104.07114	3.3
104.10747	1.2
105.07457	1.5
109.02857	0.8
116.07108	12.1
117.07439	8.7
117.99786	0.8
127.03923	1.0
127.05823	1.0
128.04326	1.1
128.07085	2.8
129.07433	4.9
129.31558	0.7
138.05515	3.0
141.07381	0.9
144.06537	0.8
145.06918	1.4
165.07358	1.8
177.07373	0.8
183.08479	13.7
195.08508	6.7
213.09578	4.1
231.10558	21.7
249.11624	100.0
267.12692	23.1
267.16272	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
56.15112	0.5
69.03430	0.5
69.07062	0.6
84.04502	18.6
85.02901	3.3
91.14908	0.4
93.06989	1.7
103.05485	0.6
108.31990	0.5
119.38795	0.5
121.06499	100.0
130.04996	16.0
138.09145	15.5
207.12128	0.9
221.12802	3.8
249.11925	1.0
250.10706	12.6
267.13373	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	Phe-Thr
Peak:m/z	Relative Intensity
56.05059	0.9
58.06599	1.5
61.02924	1.2
69.03429	2.2
69.07063	4.9
69.76501	0.9
71.04995	1.0
84.04507	46.6
85.02897	16.1
87.47610	0.8
87.63072	0.8
93.07043	1.0
97.02895	3.7
102.05553	1.2
103.05471	6.7
105.07005	1.9
106.07364	1.7
120.08098	100.0
121.06502	13.6
127.03921	1.3
130.04999	19.6
137.06003	1.1
138.09160	3.7
139.53133	0.9
145.04921	3.5
147.04422	4.1
152.05519	1.0
153.97876	0.8
165.05386	1.6
179.24562	0.9
186.09131	3.6
193.05008	1.9
193.10612	1.5
207.08051	1.1
226.54355	0.9
232.09662	16.7
235.07520	1.1
238.74016	0.9
249.12297	18.3
267.10434	1.7
267.13574	11.8
267.16516	0.9
287.76459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1335
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05049	12.6
58.06587	4.1
64.42628	1.0
64.93236	1.0
71.70599	1.0
74.06081	100.0
84.04522	10.7
101.07150	1.8
110.11187	1.1
120.08099	55.1
121.06503	32.7
130.05020	6.3
131.05011	1.2
138.09126	5.5
166.08632	38.2
192.10202	7.1
193.10545	21.4
203.11772	1.6
209.03874	1.6
219.39415	1.2
221.12894	6.1
231.10777	1.2
232.04419	1.4
249.11963	5.0
250.10680	4.5
265.81543	1.2
267.13528	24.9
275.70541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
56.05046	1.4
57.03430	2.6
61.02938	6.9
66.55853	1.7
67.05508	1.5
69.03428	14.5
69.07068	24.9
69.89522	1.3
71.04962	1.4
74.06084	25.1
76.53409	1.3
77.74982	1.3
81.03420	7.1
81.07097	1.7
84.04508	28.0
85.02908	100.0
87.04464	1.9
87.08117	5.9
91.03966	2.9
91.47095	1.5
92.73695	1.3
97.02904	20.1
99.04465	6.1
99.06432	1.7
109.02869	9.5
116.07052	2.0
120.08105	57.5
121.06485	41.6
127.03918	23.8
130.05042	13.5
138.09145	7.9
145.04953	20.1
163.06032	2.7
166.08615	12.7
180.61725	1.6
189.06546	1.6
221.12793	2.3
222.11247	2.5
231.07710	3.2
232.09659	9.8
247.97008	1.5
249.12057	17.0
250.10767	8.0
267.10306	4.4
267.13464	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81131	1.3
56.05034	2.1
56.57911	1.4
57.03447	1.8
61.02931	7.9
61.42180	1.4
62.45715	1.5
65.70894	1.3
66.83620	1.5
69.03445	15.8
69.07073	25.5
71.60224	1.5
73.02949	1.9
74.06079	33.6
81.03420	8.2
84.04523	19.9
85.02909	100.0
85.06581	1.7
87.04436	2.7
87.08111	7.2
91.05486	2.2
93.07082	2.6
97.02885	23.2
99.04427	3.1
109.02876	9.5
110.73554	1.5
120.08109	41.7
121.06505	32.8
127.03918	23.3
130.04982	11.0
138.09132	4.1
145.04967	19.0
163.05994	2.3
166.08640	10.0
181.45039	1.7
183.08424	1.9
186.09169	1.9
199.39812	1.6
203.11684	1.8
204.10132	2.1
206.11714	3.1
207.12106	24.9
231.07643	1.8
231.10486	3.1
232.09706	6.5
249.11673	14.3
250.10831	4.0
267.13766	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07006	0.4
57.07072	2.0
57.80389	0.4
67.05500	0.7
69.07050	0.5
81.07067	1.0
98.98464	100.0
116.99503	2.5
133.10161	0.6
155.04683	7.1
211.10985	2.8
241.88879	0.6
267.17517	0.7
267.20914	0.6
280.21155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1952
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
55.01879	1.6
55.05523	15.2
55.05729	1.5
55.08877	1.3
57.07074	1.9
60.45335	1.5
67.05518	16.6
69.07066	14.7
71.08634	100.0
79.05505	11.8
81.03423	12.8
81.07061	18.0
81.08215	1.6
83.04983	2.5
83.08615	18.3
85.06534	1.8
91.05466	16.4
93.07047	15.8
95.04958	9.6
95.08576	13.5
97.06523	8.2
99.08092	62.9
105.07050	4.3
107.04971	9.1
107.08619	9.2
109.06548	3.5
109.10161	10.2
111.08089	3.7
117.07005	7.6
119.08580	11.6
121.10136	6.7
129.07018	2.5
131.08562	3.0
133.10130	15.2
135.08058	14.8
135.11705	2.8
137.09622	12.6
139.11203	3.5
147.11693	3.5
149.09625	14.3
151.11186	34.8
157.10112	2.2
167.10683	10.8
169.10066	3.2
183.11746	3.1
197.13138	2.0
203.17873	2.6
211.14664	2.1
214.32384	1.7
222.21950	1.9
231.17484	4.1
249.18491	29.1
267.19345	2.3
267.21109	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
50.44414	1.3
50.99757	1.4
51.07717	1.4
55.05514	8.8
57.07084	3.3
57.25227	1.3
67.05511	23.9
69.07075	36.7
71.08632	3.1
71.40419	1.6
79.05488	28.0
81.03418	9.9
81.07056	26.0
83.04964	2.6
83.08607	1.6
91.05471	49.9
93.07040	26.8
94.52028	1.6
95.04960	7.3
95.08626	12.5
97.06485	1.6
104.02939	1.8
105.07034	26.9
107.08599	9.7
109.06524	3.5
109.10173	15.3
112.51338	1.8
117.07030	6.4
119.08575	100.0
121.10153	14.2
123.11647	3.2
125.05988	3.7
129.06964	2.3
131.08548	3.7
133.10129	85.0
135.11690	7.6
137.09624	16.0
145.10057	2.3
147.08041	8.5
147.11699	25.9
151.11230	2.6
157.10062	2.3
161.09612	3.2
161.13237	10.4
165.09076	23.4
176.59494	1.9
179.10696	2.6
183.50557	1.9
203.17950	80.6
213.53456	1.5
225.16394	1.9
231.17471	13.7
249.18463	15.8
267.21021	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
55.01878	2.7
55.05522	29.2
55.58039	2.5
57.07080	2.9
67.05508	62.5
69.03432	4.2
69.07073	21.5
71.04996	92.6
79.05496	94.0
81.03424	3.9
81.07061	79.8
83.04992	3.4
83.08628	22.6
85.02901	3.0
85.06541	9.4
85.98716	2.3
91.05472	47.7
93.07043	100.0
95.04941	23.7
95.08601	53.3
97.06542	28.2
97.10165	32.5
105.07046	28.1
106.77924	2.4
107.08598	58.7
109.06531	11.8
109.10155	16.9
109.59846	2.3
111.08077	16.2
117.07025	19.5
119.08569	26.4
121.06526	4.5
121.10127	53.9
123.04412	3.8
123.08083	5.2
123.11690	10.5
125.09649	22.6
129.06992	5.6
131.08562	25.0
133.10120	22.5
135.08035	6.4
135.11693	20.1
137.09627	5.8
143.08537	11.2
145.10164	4.9
147.11702	13.4
151.11200	3.4
153.09109	4.4
157.10095	10.1
161.13210	4.8
163.11072	2.6
163.14893	2.8
165.12714	2.8
171.11729	4.4
173.13249	9.7
175.14850	2.9
189.11139	3.7
189.16356	5.7
199.14812	13.9
203.14304	3.7
217.15865	3.6
235.16862	35.0
249.14717	9.9
249.18440	6.1
267.15771	4.6
267.16837	3.7
267.19180	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1952
Annotation	(+)-Ro 09-1547
Peak:m/z	Relative Intensity
55.01878	3.3
55.05529	18.5
57.03442	34.7
57.07078	3.0
67.05515	31.8
69.03428	10.8
69.07075	27.3
71.04998	5.9
72.49429	2.3
79.05466	18.8
81.07065	44.3
83.04958	5.1
83.08619	30.3
85.02920	5.1
85.06550	11.6
91.05468	4.5
93.07051	34.3
95.04969	4.6
95.08602	53.1
97.06558	6.2
97.10181	20.7
99.04449	76.9
105.07006	11.2
107.08595	26.9
109.06520	16.5
109.10151	34.7
111.08085	17.1
119.08569	4.3
121.06484	17.2
121.10134	16.2
123.11724	14.5
133.10168	11.3
135.11687	12.1
137.09682	3.0
145.10086	2.3
147.11662	11.0
149.13272	17.7
159.11789	4.1
165.16368	3.0
179.17998	4.4
189.16428	13.8
195.13821	35.9
197.19026	2.9
207.17390	3.5
211.16930	6.1
225.18478	100.0
229.18048	3.7
243.19508	65.9
249.18521	56.3
267.19485	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
55.70852	1.0
60.65463	1.1
61.56319	1.3
62.54138	1.2
67.05514	2.3
69.07060	2.4
73.22559	1.5
79.05465	1.5
81.07042	6.9
91.05433	1.2
93.07025	6.7
95.08618	12.0
101.66323	1.2
105.07017	6.5
107.08607	8.4
109.10135	7.3
119.08540	6.6
121.10115	2.7
127.78059	1.6
131.08553	6.4
133.10098	6.9
135.11732	2.4
143.08516	2.8
145.10104	8.8
147.09894	1.5
147.11601	1.8
155.08582	6.1
156.09346	1.8
157.10080	9.6
159.11682	10.8
161.13237	2.1
169.10155	12.7
171.11681	6.8
173.13235	6.9
182.11053	2.1
183.11693	13.8
185.13252	11.1
187.14668	2.2
197.13243	15.6
199.14786	6.7
211.14832	24.5
213.16154	1.9
224.15611	1.8
225.16336	17.3
239.18028	2.1
267.21054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13860	1.0
55.05507	0.9
56.17712	0.9
56.61089	1.0
57.07080	0.9
57.61037	0.9
60.59598	1.0
66.85013	0.8
69.07059	2.3
79.05481	2.4
81.07049	7.2
83.08636	1.4
91.05463	2.0
93.07027	6.5
95.05003	1.2
95.08602	7.2
105.07029	6.2
107.08591	8.2
109.10174	5.3
117.07056	1.4
119.08548	7.5
121.10145	5.4
121.10954	1.2
123.11723	1.5
129.07004	1.6
131.08559	5.5
133.10133	4.1
135.11688	1.5
143.08582	7.8
145.10141	7.9
147.11685	2.4
155.08530	8.6
157.10065	7.6
159.11691	7.3
161.13322	1.5
169.10095	14.1
171.11658	5.7
172.29468	1.1
173.13286	4.4
175.09648	1.2
182.10930	1.3
183.11671	12.9
185.13155	7.9
187.14838	1.4
195.11713	1.6
196.12509	2.3
197.13303	11.8
199.14824	6.9
211.14803	27.1
212.80234	1.1
224.15601	1.2
225.16354	16.2
238.17088	2.0
239.17897	4.2
249.14853	1.3
267.21078	100.0
277.04031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65090	0.8
54.39251	0.8
55.05514	4.0
57.03434	1.0
57.07084	1.1
65.27726	0.9
67.05494	5.5
69.07054	4.9
79.05495	3.9
81.03407	1.5
81.07064	11.3
81.07465	1.3
83.04974	1.8
83.08626	1.3
87.00819	1.4
91.05476	5.2
93.07018	6.3
95.04961	1.6
95.08601	8.9
98.54087	1.0
105.07020	4.6
106.29529	1.0
107.04981	1.1
107.08597	6.0
109.06472	1.4
109.10172	10.1
119.08572	11.4
121.10125	6.1
123.11701	1.1
129.06960	1.4
131.08563	6.8
132.54886	1.2
133.06454	1.1
133.10110	6.3
135.08017	1.5
135.11627	1.9
143.08521	5.6
145.10078	7.1
147.07997	1.1
147.11662	5.3
155.08528	6.9
156.09424	1.4
157.10089	5.5
159.11679	9.9
161.13301	1.2
169.10104	15.0
171.11642	8.1
173.13260	3.7
181.10139	1.0
182.10835	2.2
183.11662	15.6
185.13170	7.1
191.93456	1.1
195.11659	2.2
196.12430	2.0
197.13235	14.0
199.14690	1.4
203.14445	2.0
209.13280	4.1
210.14032	2.1
211.14813	20.7
213.12808	1.8
221.15326	1.3
224.15634	4.1
225.16377	13.0
231.13847	1.6
238.17178	1.4
239.17940	1.4
249.14796	2.4
252.18788	2.2
267.16077	4.7
267.21039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.6
57.07082	100.0
61.87645	3.4
67.05498	39.9
69.07069	36.7
71.08633	59.9
79.05492	4.4
81.07056	66.7
83.08620	27.9
85.10178	32.9
90.87175	3.4
95.08606	81.7
96.35393	4.0
97.10158	19.8
109.10153	37.2
111.11718	7.2
123.11712	6.0
124.92323	3.3
134.28496	3.7
145.66788	4.2
161.59818	3.5
228.56343	4.5
239.14282	4.6
267.13785	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0603
Annotation	2-Methyl-1-nitroanthraquinone
Peak:m/z	Relative Intensity
50.13603	0.2
62.87003	0.2
69.03436	0.3
73.02905	0.3
84.04487	0.4
85.02886	1.5
102.01724	0.3
105.07047	0.5
120.08080	1.4
121.06504	5.9
124.03970	0.5
134.00932	0.3
136.06187	21.3
137.05963	1.0
138.09058	0.9
139.43918	0.3
140.14432	0.2
154.04971	0.3
156.04376	0.3
169.04953	1.3
170.08145	0.5
174.05473	1.2
180.06552	11.6
181.07335	1.9
182.07971	0.4
190.04984	0.3
192.79623	0.3
204.06583	2.3
208.09795	0.7
209.08118	1.3
222.05479	0.4
222.07610	0.7
222.11253	1.3
224.06987	0.4
226.38646	0.3
238.04968	0.3
250.10619	3.4
255.41301	0.3
268.06030	100.0
268.11893	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40157	0.3
58.06588	0.6
71.52458	0.3
76.04199	0.3
76.11809	0.3
84.08142	4.5
86.09693	1.4
102.04060	0.4
120.08107	3.2
120.08783	0.3
128.04967	2.2
129.10225	0.9
136.06201	3.7
156.04417	6.3
166.08652	0.4
174.05492	38.0
216.96909	0.4
225.07843	0.5
235.78032	0.4
239.09377	0.7
240.10184	0.6
251.03691	0.8
259.67120	0.4
268.09662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0967
Annotation	PD 98059
Peak:m/z	Relative Intensity
52.40287	0.4
78.19768	0.5
86.09705	0.5
101.41850	0.5
110.07117	0.5
116.36768	0.5
120.08095	1.0
124.03979	0.8
128.04955	2.5
136.06209	6.0
156.04434	7.0
156.07545	0.8
174.05499	40.6
175.02174	0.6
181.95015	0.5
192.70662	0.5
268.09686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0966
Annotation	PD 98059
Peak:m/z	Relative Intensity
55.07293	0.3
57.07084	0.7
60.23251	0.4
65.91972	0.4
79.41528	0.4
85.02924	0.7
86.09711	1.8
92.21474	0.5
94.76953	0.5
98.97536	0.5
110.07161	8.5
119.93159	0.5
120.08141	0.6
121.06478	1.0
124.03945	0.7
128.04948	2.8
136.06181	14.6
156.04410	7.6
156.07672	3.8
174.05490	36.9
179.12532	0.6
222.12482	0.9
222.78600	0.5
223.11572	0.7
225.13145	0.5
239.09383	0.7
268.09680	100.0
273.63266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98232	0.2
60.38716	0.1
62.51126	0.1
69.90868	0.1
94.32535	0.1
136.06197	2.6
172.45578	0.1
174.05499	0.7
180.08896	0.2
193.06435	0.1
194.06915	0.2
208.03761	0.1
208.08337	0.3
210.09073	0.2
222.06441	0.2
224.07066	0.3
225.07971	0.8
236.07874	0.5
238.04846	0.2
238.08739	0.2
240.07330	0.7
240.10318	0.6
253.07182	2.0
257.06708	0.2
268.09677	100.0
270.65735	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87215	0.2
52.63740	0.2
53.03485	0.2
54.06996	0.2
65.23277	0.2
81.31039	0.2
104.63773	0.2
107.86146	0.2
120.78989	0.2
136.06209	3.2
174.05504	2.1
210.05460	0.2
224.07158	0.5
225.07877	1.2
236.07892	1.0
238.08647	0.4
240.10181	0.4
253.07191	2.7
268.09677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.95163	0.3
78.31421	0.4
83.23266	0.4
83.81632	0.3
85.02916	0.4
87.46603	0.3
91.59804	0.3
92.94550	0.3
94.81368	0.4
96.95286	0.4
108.02258	0.3
109.72260	0.3
118.60957	0.3
135.45998	0.3
136.06192	100.0
155.06876	0.4
163.61697	0.4
164.14476	0.4
165.04044	0.4
207.77086	0.4
227.33484	0.4
239.48466	0.4
268.10425	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60538	0.4
56.38743	0.3
58.06600	0.7
60.74352	0.5
62.56797	0.4
64.46764	0.3
65.41399	0.4
85.02910	15.7
91.05466	0.5
93.07037	0.9
121.06506	100.0
122.06776	0.4
130.05095	0.4
131.03439	0.6
136.06187	6.4
138.09145	22.4
142.76433	0.4
150.09152	0.6
204.10252	2.5
222.11238	28.8
268.11926	13.8
268.15073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1176
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
54.43588	0.3
57.03440	0.6
57.80834	0.4
58.06599	6.6
65.32877	0.4
70.92509	0.4
84.26416	0.4
93.04518	0.8
105.07039	0.6
118.08260	0.4
119.04927	2.1
121.03989	25.4
121.06496	2.1
131.04903	3.9
133.06512	0.5
136.06181	100.0
140.83768	0.4
143.11047	0.5
146.09668	0.7
147.04440	0.8
148.06100	0.6
152.07040	2.2
161.06026	3.5
164.04698	4.5
164.07135	0.6
166.99336	0.5
168.06581	2.0
174.09135	0.6
177.05432	5.8
179.07008	19.7
187.03905	3.7
195.06602	0.9
206.11676	1.7
208.06119	0.6
223.05977	7.8
268.12061	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.133
Annotation	cinnamoyltyramine
Peak:m/z	Relative Intensity
55.05512	0.5
64.71194	0.5
69.07062	0.4
77.59541	0.5
81.07061	0.9
85.38962	0.5
85.51249	0.5
91.05492	1.2
93.07048	6.4
95.08573	1.0
99.19656	0.5
103.05470	12.6
107.08611	0.6
121.06503	57.2
131.04930	100.0
148.07503	0.8
171.39543	0.5
215.18085	0.8
247.52286	0.6
249.16006	0.6
251.20062	2.0
268.10434	0.8
268.13312	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1542
Annotation	Codonopsine
Peak:m/z	Relative Intensity
59.35123	0.4
70.06583	1.0
71.04971	0.4
84.04491	3.0
84.08177	0.5
85.02911	0.8
85.04851	0.7
86.03235	0.6
88.07629	4.2
88.50790	0.4
91.05487	1.9
93.07041	4.8
95.04967	1.8
95.54910	0.5
96.27248	0.4
99.04469	0.5
102.95557	0.6
103.05457	1.0
112.07640	0.8
113.06021	0.6
121.06507	100.0
122.06033	0.8
122.06850	11.2
127.03947	0.7
130.04997	1.8
130.08649	3.2
131.05383	0.9
131.22533	0.5
136.06195	35.5
137.05991	0.8
138.09152	1.9
139.09491	2.4
143.04936	0.5
148.09685	8.7
151.07573	2.9
153.78947	0.5
156.04448	0.8
161.05986	1.0
162.05489	2.3
164.07100	2.9
174.05447	6.3
178.08672	0.8
179.07072	1.0
190.12343	1.8
196.09763	0.9
199.72739	0.5
206.11806	5.5
208.09825	0.7
208.13350	6.3
222.11171	0.7
232.09621	0.6
250.10709	1.0
250.14423	3.6
251.11087	2.6
268.09604	16.5
268.15521	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1542
Annotation	632-93-9
Peak:m/z	Relative Intensity
53.07535	0.4
53.53465	0.4
63.68340	0.4
85.02918	7.8
87.04478	0.9
91.05502	0.8
93.07051	3.6
101.06020	0.8
103.05468	0.7
106.06551	0.7
116.07111	1.0
121.06507	100.0
121.96186	0.4
125.24032	0.5
133.06477	0.7
136.06187	14.0
136.07289	0.5
138.09140	8.9
143.94919	0.5
148.09709	3.8
150.07928	0.8
150.09151	25.7
164.07123	0.6
169.15027	0.5
178.08698	0.6
204.10150	0.6
212.04578	0.5
216.86378	0.4
222.11249	10.8
268.11874	5.8
268.15448	32.2
275.26889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1541
Annotation	632-93-9
Peak:m/z	Relative Intensity
66.26672	0.5
67.81400	0.7
69.03420	1.0
74.06062	1.2
85.02905	1.5
87.04470	1.6
91.05475	1.5
93.07065	1.7
97.02866	0.7
99.04425	1.1
101.06000	1.4
103.05457	0.8
105.07045	1.2
106.06573	2.7
107.05016	0.8
109.02875	0.8
116.07069	4.4
118.06531	1.2
120.08099	1.3
121.06503	100.0
130.08646	1.1
133.06465	0.8
134.06029	1.2
136.06187	52.4
138.09166	1.4
148.09680	6.5
150.09140	41.4
152.07106	1.3
170.08115	0.7
173.44548	0.7
176.10623	0.8
204.10127	1.0
206.11777	2.6
222.11150	5.5
236.05302	0.7
250.10847	3.0
250.14182	1.2
268.09598	2.7
268.11887	5.0
268.15424	53.6
268.18906	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	1.5
56.24960	1.6
56.91519	1.6
56.96572	28.4
67.05504	4.6
69.07050	3.3
71.08630	3.0
72.95525	1.7
79.05499	4.1
81.07069	18.8
83.08646	3.0
86.06070	17.9
88.82903	1.9
89.14846	2.1
91.05477	4.6
93.07056	3.8
95.08614	31.1
97.99191	11.6
98.06062	14.8
100.81249	2.0
107.04933	4.3
107.08614	7.3
109.06528	26.1
109.10132	2.3
111.08092	2.7
116.00223	2.8
117.06993	3.0
119.08589	4.1
121.06561	2.5
121.10178	4.7
123.08076	2.7
124.07593	10.9
130.26170	1.8
131.04774	2.1
131.08554	9.3
135.08104	2.9
136.06215	13.8
136.81297	1.8
137.13254	34.8
141.06886	2.2
145.10138	3.5
147.11693	2.7
149.09631	11.7
159.11826	2.3
165.12738	23.3
171.11734	2.7
173.13226	2.8
182.15446	16.7
186.09875	12.4
187.14847	2.8
194.15428	9.4
195.10344	12.0
197.13255	4.5
204.10881	2.4
206.61189	3.6
215.14383	10.4
215.61691	8.3
216.34972	1.9
222.16359	3.2
222.18518	100.0
224.62170	2.3
233.15327	11.5
233.62715	2.7
236.13139	2.3
250.12279	2.3
250.18004	94.9
251.20032	3.4
268.09732	9.3
268.16391	2.2
268.19101	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	40.6
55.05518	37.6
56.56702	2.7
56.96569	4.5
57.07071	5.0
67.05499	45.4
69.07060	18.6
79.05492	18.7
81.07067	49.3
83.04969	7.5
83.08605	18.0
85.06567	6.2
92.20326	3.0
93.07054	31.1
95.08587	40.5
97.10161	24.2
102.00539	2.9
107.08594	36.9
109.06487	3.3
109.10161	37.3
111.08076	5.6
119.08558	4.2
121.10136	37.8
123.11695	17.4
125.09630	100.0
131.08553	5.7
135.08023	30.3
135.11690	21.3
136.06245	4.9
137.09618	6.5
149.09613	5.9
149.13222	13.2
153.12752	13.9
155.00186	3.3
169.05141	6.9
170.11725	4.1
178.05692	4.2
188.68045	3.2
205.19568	16.3
215.17989	12.4
223.20685	4.7
233.18979	19.6
245.09419	3.8
246.35231	3.2
251.20036	99.7
268.09821	4.0
268.22705	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2269
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
55.05502	4.2
67.05508	14.1
69.07054	10.2
78.95877	1.5
81.07056	17.1
82.39454	1.7
83.08614	3.4
91.05423	2.0
93.07045	8.1
95.08598	16.9
97.10149	2.2
107.08578	3.6
109.10143	9.2
114.12789	3.8
121.10098	3.7
123.11681	3.8
126.12804	2.3
136.06221	2.8
138.12759	3.2
140.14464	2.3
184.10020	2.5
209.24210	2.0
210.71317	2.0
250.21666	13.8
268.22717	100.0
270.32507	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	29.5
55.05513	21.6
55.22553	3.0
57.07079	3.9
65.22427	3.3
65.28320	3.4
67.05524	28.7
69.07066	21.2
71.04994	6.1
71.08611	4.2
75.10856	3.5
79.05485	20.0
81.07078	44.5
83.08627	34.5
85.06568	4.9
93.07038	21.3
95.08604	40.6
97.06555	5.4
97.10175	6.9
99.08135	4.6
107.08611	24.0
109.10155	28.1
111.08078	84.9
121.10114	30.7
123.11678	7.7
135.11658	8.9
136.06282	13.7
139.11217	5.1
141.86382	4.0
149.13254	8.4
198.22675	3.9
215.18008	7.3
223.20598	8.6
233.18988	7.9
251.20000	100.0
268.22733	28.9
268.26346	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	18.8
55.05519	23.2
57.03446	4.3
57.07069	6.3
62.41646	3.4
67.05505	53.1
69.07079	34.2
71.08633	100.0
79.05502	32.4
80.37469	4.1
81.07063	71.3
83.08627	22.5
91.05466	8.6
93.07041	49.9
95.08607	66.8
97.06530	8.3
97.10166	8.3
99.08091	77.8
105.07042	4.2
107.08597	48.6
109.10173	48.9
111.08109	5.5
119.08585	9.2
121.10126	59.3
123.08070	4.2
123.11738	31.2
125.09617	5.7
127.11219	8.4
131.08556	5.7
135.07991	4.6
135.11700	64.5
136.06209	6.2
139.07552	6.2
139.11188	32.6
141.09116	61.2
149.13263	19.6
153.12750	18.0
205.19510	62.6
214.80600	4.2
215.17984	21.8
216.45956	4.1
230.81161	4.1
233.19035	33.1
251.20073	78.4
268.09799	7.8
268.22897	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13916	2.8
55.05515	20.1
57.07089	27.8
62.49969	2.8
66.54906	3.6
67.05508	5.4
69.07078	42.9
71.08617	18.2
79.05469	5.7
81.07056	19.2
83.08628	40.4
85.10209	6.0
86.06071	5.2
93.07036	14.4
95.08593	17.4
97.06520	5.7
97.10159	30.4
100.07627	13.5
107.08585	12.7
109.10165	3.5
111.08052	8.1
111.11713	14.9
114.09162	12.8
121.10131	15.3
123.11662	3.8
125.09624	5.0
133.15578	3.5
135.11687	17.6
139.11200	3.8
149.13255	7.0
184.09985	4.3
192.44086	3.6
222.52058	3.1
225.28804	3.2
233.22643	21.0
251.23701	21.4
261.47708	3.1
268.09671	12.7
268.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97238	2.3
55.05520	27.7
57.07085	34.9
60.92064	2.4
67.05503	17.9
69.07074	53.9
71.08631	21.1
72.08142	4.2
78.05640	2.6
79.05495	6.0
80.92973	2.7
81.07063	28.9
83.08627	51.6
84.18436	2.5
85.10200	11.1
86.06086	15.4
93.07053	17.2
95.08611	31.3
97.06534	13.1
97.10166	50.8
100.07614	17.9
107.08589	14.6
108.40339	2.5
109.10165	9.5
111.08077	14.0
111.11712	16.2
114.09161	16.7
116.15753	2.7
121.10146	19.3
123.11734	4.0
123.45811	2.5
124.50840	2.6
125.09631	10.3
125.13300	3.1
126.89639	2.5
128.10725	3.4
134.61768	2.7
135.11705	16.4
136.02052	2.7
137.13219	3.7
139.11169	4.1
142.12225	3.0
149.13261	12.7
163.14812	5.4
177.16270	4.5
225.29216	2.9
226.25275	2.8
233.22621	20.5
251.23746	24.4
268.13828	4.1
268.17715	4.4
268.23145	3.8
268.26312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43346	1.9
71.60085	2.4
80.97278	2.6
90.55477	2.0
91.23854	2.0
94.93011	2.8
97.07613	2.7
103.99758	2.5
113.15862	2.3
136.94003	9.1
158.73581	2.5
171.00238	2.2
183.11392	2.7
191.51669	2.3
212.33748	2.1
251.12094	3.4
268.98254	100.0
269.05286	14.0
269.14850	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72183	1.6
56.15895	1.6
70.67414	1.7
71.01110	1.9
87.83263	1.8
90.44917	1.9
98.09684	29.2
108.34842	2.1
116.10719	49.0
133.13359	26.6
136.94090	2.9
137.02341	53.3
142.87236	1.9
218.55965	2.3
251.13936	8.1
268.95218	3.8
268.98221	100.0
269.05191	17.1
269.11197	2.3
269.12125	2.3
269.14944	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76492	3.9
60.92285	3.4
62.84259	3.8
63.31882	3.2
70.57559	3.8
71.63032	3.6
96.05531	4.5
99.06387	4.6
131.06039	5.0
136.94063	5.1
149.07124	8.8
164.93405	4.3
205.34724	4.5
251.12230	6.0
268.98239	100.0
269.05362	75.5
269.11365	23.0
269.14810	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18817	2.6
54.48005	2.1
55.28043	2.5
56.81504	2.8
68.33501	3.0
87.04456	3.9
94.28469	3.0
97.07666	4.2
119.91739	3.5
129.98325	2.9
131.65997	3.0
183.11295	5.5
251.12004	6.9
268.98212	100.0
269.05344	70.7
269.14948	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61298	2.7
58.03037	2.7
73.16216	3.0
73.43861	2.8
146.02171	3.1
156.07719	3.5
240.07654	3.2
251.04262	3.2
269.05316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0765
Annotation	Portulacaxanthin III
Peak:m/z	Relative Intensity
54.30553	0.5
57.07429	0.5
60.04531	4.6
80.05016	0.8
87.04465	0.9
98.02429	0.7
99.00802	0.7
110.07172	1.3
116.03442	3.9
126.05485	2.1
136.03940	100.0
159.31419	0.5
160.03940	9.0
162.05536	1.2
164.03415	78.0
188.03407	7.8
192.02838	5.2
205.06123	3.0
206.04453	0.7
210.03943	9.5
216.02893	3.7
223.07130	3.7
224.05516	1.2
233.05557	0.8
234.03987	8.0
251.06616	47.9
269.07751	1.0
269.11530	0.7
269.15051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30553	0.5
57.07429	0.5
60.04531	4.6
80.05016	0.8
87.04465	0.9
98.02429	0.7
99.00802	0.7
110.07172	1.3
116.03442	3.9
126.05485	2.1
136.03940	100.0
159.31419	0.5
160.03940	9.0
162.05536	1.2
164.03415	78.0
188.03407	7.8
192.02838	5.2
205.06123	3.0
206.04453	0.7
210.03943	9.5
216.02893	3.7
223.07130	3.7
224.05516	1.2
233.05557	0.8
234.03987	8.0
251.06616	47.9
269.07751	1.0
269.11530	0.7
269.15051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.27596	0.2
60.02786	0.2
120.37048	0.2
150.07056	0.2
167.03368	0.6
176.68167	0.3
195.07964	0.3
226.06223	3.1
254.05739	2.9
269.08066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41996	0.5
50.48967	0.6
55.01880	0.6
57.03420	0.6
69.71323	0.6
78.36351	0.8
81.84975	0.7
84.75327	0.7
98.01879	0.7
100.97946	0.7
104.85909	0.6
136.06187	100.0
137.05656	4.2
137.06627	81.8
177.29749	0.7
242.17833	0.7
269.10681	17.1
277.11472	0.7
284.37494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.8
84.08151	0.6
95.04915	0.4
107.04954	100.0
110.07188	0.7
115.05447	4.7
117.06999	1.7
120.08064	0.6
129.10220	0.5
131.04947	2.5
137.05975	9.5
143.04926	12.0
145.06488	10.7
150.06354	0.7
160.05199	3.6
162.06754	0.8
163.07553	1.7
166.64229	0.4
167.07037	0.9
168.07362	1.4
174.05499	1.6
175.06013	1.1
175.07532	18.8
175.09013	0.7
181.06528	0.9
181.10089	1.5
191.08542	3.2
194.07315	2.5
195.08055	0.9
209.09610	11.1
210.08484	0.5
219.08141	2.1
237.09071	20.1
238.09978	0.7
240.07771	0.9
254.09416	1.8
269.11804	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93901	0.4
55.01886	0.6
55.41075	0.4
60.39207	0.4
79.05504	0.8
91.05479	1.1
94.57979	0.6
95.04976	1.2
103.05441	0.7
107.04955	100.0
115.05454	10.2
117.07021	2.8
119.04948	2.0
121.02854	3.5
121.06477	1.0
129.93015	0.6
131.04929	2.9
137.05972	17.8
143.04924	19.4
144.05737	1.1
145.06474	22.8
145.07571	1.0
145.30814	0.5
147.08026	0.6
149.05992	0.6
152.61246	0.5
155.05986	0.9
160.05182	2.6
161.05905	0.6
163.07489	1.2
166.07841	0.8
175.07533	16.1
181.06508	2.1
181.10127	1.3
182.77496	0.5
190.07755	0.8
191.08522	6.2
194.07246	5.7
195.08141	1.4
209.09608	24.7
219.08084	4.0
222.06789	1.1
225.05508	0.6
227.07941	0.6
233.09959	0.6
236.08293	1.1
237.09100	21.1
239.07077	3.1
240.07849	2.3
251.10588	2.3
254.09311	5.5
269.11707	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.9
63.01122	0.4
64.00966	0.4
79.05516	0.7
81.32614	0.5
84.08131	2.1
86.23069	0.5
87.37148	0.4
91.05471	0.7
92.25675	0.4
93.71173	0.4
107.04954	100.0
110.07152	0.8
113.32425	0.5
114.11765	0.4
115.05448	4.5
117.07066	1.5
120.08105	1.2
131.04936	2.9
136.06172	0.6
137.05986	8.5
143.04933	12.9
145.06477	11.8
160.05185	2.9
162.06778	0.7
163.07576	2.5
174.05487	1.1
175.05904	3.0
175.07501	19.2
175.09010	0.7
181.10213	2.1
190.78481	0.5
191.08598	2.8
194.07294	2.0
197.06128	0.6
209.09592	15.6
209.11479	0.8
212.33690	0.5
219.08150	3.1
237.09097	19.4
237.11452	0.8
238.10071	0.8
239.06938	0.6
240.07788	0.9
254.09476	2.4
269.11865	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10200	0.6
90.29101	0.6
99.69744	0.6
107.04954	86.2
115.05451	4.3
117.06996	1.0
121.06496	1.1
131.04898	1.3
137.05971	8.6
143.04929	9.3
145.06485	10.6
145.74278	0.6
160.05206	3.0
161.06052	0.8
163.07581	1.1
166.07742	1.5
167.08536	0.9
175.07541	17.7
181.06487	2.9
181.10136	7.5
191.08566	8.8
192.02544	0.6
194.07227	4.5
195.08131	1.6
207.08182	0.9
209.06120	1.5
209.09613	25.9
211.11070	0.6
219.08055	7.9
221.05901	0.9
223.07527	2.6
225.05464	0.8
226.06143	1.2
226.09552	1.0
236.08276	2.8
237.09093	42.5
238.09911	1.5
239.06871	5.1
240.07709	4.5
241.08514	1.6
251.07085	0.7
251.10684	5.4
253.04955	1.2
254.05746	5.2
254.09389	10.9
269.07947	9.4
269.11923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1169
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
56.94529	0.4
72.12510	0.4
78.00986	0.4
79.05496	0.7
80.78928	0.4
81.07064	0.5
91.05473	0.8
95.04964	1.1
104.45267	0.5
107.04962	100.0
109.06521	0.6
115.05455	7.6
116.80695	0.5
117.07005	2.0
121.02859	1.9
121.06455	0.7
131.04968	2.9
137.05978	21.8
143.04922	19.0
145.06494	24.7
155.06047	0.9
160.05229	0.7
160.98077	0.5
163.07513	0.6
165.06964	1.1
167.08574	0.5
175.05988	0.9
175.07555	14.6
176.08311	0.5
181.06535	2.1
181.10187	2.6
185.38383	0.5
187.19072	0.5
191.08560	4.0
194.07280	4.0
195.08136	2.3
197.05936	0.6
199.35963	0.5
208.08870	0.5
209.05994	0.7
209.09647	18.6
219.08165	3.1
221.25418	0.4
223.07558	0.7
223.11060	0.5
224.05527	0.4
225.05582	1.0
235.07613	0.5
236.08414	1.1
237.09116	23.6
238.10016	0.8
239.07109	2.2
240.07938	2.0
241.08704	0.9
251.07071	0.6
251.10738	2.7
254.05798	1.4
254.09280	4.8
268.45175	0.5
269.11810	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05516	1.0
58.08391	0.8
71.13840	0.8
77.04012	0.9
79.05514	1.1
84.00751	0.9
91.05447	1.8
107.04962	100.0
110.07171	1.6
115.05432	4.1
117.07021	1.2
121.06510	1.6
122.23811	0.9
137.05983	7.7
143.04927	11.8
145.06490	11.3
160.05225	3.6
163.07530	1.1
175.06023	1.7
175.07520	18.3
191.08524	1.8
194.07289	1.9
209.09618	13.8
219.08003	2.1
237.09077	20.9
246.60622	0.9
251.11743	1.3
254.09395	2.1
261.02460	1.0
269.09525	14.1
269.12198	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.9
63.01122	0.4
64.00966	0.4
79.05516	0.7
81.32614	0.5
84.08131	2.1
86.23069	0.5
87.37148	0.4
91.05471	0.7
92.25675	0.4
93.71173	0.4
107.04954	100.0
110.07152	0.8
113.32425	0.5
114.11765	0.4
115.05448	4.5
117.07066	1.5
120.08105	1.2
131.04936	2.9
136.06172	0.6
137.05986	8.5
143.04933	12.9
145.06477	11.8
160.05185	2.9
162.06778	0.7
163.07576	2.5
174.05487	1.1
175.05904	3.0
175.07501	19.2
175.09010	0.7
181.10213	2.1
190.78481	0.5
191.08598	2.8
194.07294	2.0
197.06128	0.6
209.09592	15.6
209.11479	0.8
212.33690	0.5
219.08150	3.1
237.09097	19.4
237.11452	0.8
238.10071	0.8
239.06938	0.6
240.07788	0.9
254.09476	2.4
269.11865	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1169
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.67061	0.9
70.48912	0.8
72.65326	0.9
81.41262	1.0
97.06572	1.1
101.89322	1.0
101.95956	0.9
107.04958	100.0
115.05434	9.3
117.07066	2.1
121.02888	2.5
121.06547	2.0
131.04977	1.4
137.05975	13.8
141.24298	1.1
143.04924	17.1
145.06497	24.7
145.07568	1.6
153.23869	1.1
160.05252	1.7
163.07622	1.7
174.05531	1.9
175.05946	6.0
175.07625	20.2
181.06589	2.3
181.10225	2.1
191.08562	7.3
194.07263	8.3
195.08179	1.6
197.06169	1.2
209.09637	22.9
211.11317	1.4
212.17299	1.2
219.08107	5.2
237.05524	1.5
237.09085	26.8
238.25069	1.1
239.07106	1.9
240.07890	1.3
241.94637	1.1
254.09506	5.1
269.11896	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35863	1.0
70.74216	0.9
72.89424	1.0
74.13587	0.9
81.07043	2.1
86.43793	0.9
98.09696	52.9
110.07188	1.8
115.12315	1.3
115.98190	0.9
116.10730	71.8
133.13368	44.1
136.06186	1.5
137.02345	100.0
137.04575	2.3
154.55122	1.0
234.11182	5.8
251.13860	9.9
252.12303	2.4
269.12018	2.9
269.14941	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04310	0.3
56.56460	0.3
78.73262	0.3
81.07043	0.4
87.04469	20.3
87.24437	0.3
93.13380	0.3
97.07655	36.0
136.06203	1.2
137.06584	0.6
145.15211	0.3
152.36447	0.3
153.05540	0.4
156.13152	0.3
165.10231	1.5
183.11282	30.1
200.53500	0.3
251.10435	0.4
269.10159	2.6
269.14948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48655	0.6
55.01871	0.7
57.03431	0.5
59.54462	0.9
62.60004	0.7
62.64662	0.6
81.03400	1.3
81.07060	6.5
85.02905	1.7
90.27097	0.7
98.09691	52.8
99.04417	1.1
107.04958	31.7
115.05476	1.0
115.12294	1.1
116.10723	61.2
120.08099	3.3
121.08397	2.6
122.06806	1.1
124.19447	0.8
133.12401	1.5
133.13361	33.4
137.02338	100.0
137.05960	3.8
143.04898	4.1
145.06485	3.9
153.05435	1.2
160.05278	1.1
174.05513	3.3
175.05872	3.7
175.07561	8.7
181.10025	0.9
191.08632	1.6
194.07256	1.0
209.09645	6.8
234.11281	4.4
237.09055	7.8
251.13846	9.3
252.12361	3.6
269.09708	8.6
269.11868	18.6
269.14966	46.0
276.41931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.91366	1.4
54.61438	1.3
55.01860	2.0
55.05527	15.4
56.83175	1.3
57.03192	1.3
57.03449	28.0
57.07076	7.3
64.18644	1.3
65.03937	1.4
67.05513	65.3
69.07076	32.2
71.04982	9.6
79.05505	38.3
81.07066	100.0
83.04975	8.4
83.08633	23.3
84.34199	1.5
85.06539	3.2
85.15961	1.3
91.05479	21.8
93.07044	80.3
95.04938	7.5
95.08074	2.4
95.08614	38.3
97.06540	17.7
97.10154	3.0
99.08108	3.0
105.07033	18.3
107.07925	2.8
107.08603	43.4
109.06516	2.9
109.10153	12.5
111.08096	11.3
114.29946	1.4
117.07013	16.6
117.96600	1.6
119.08562	8.2
121.10156	26.0
123.11690	7.9
131.08574	20.6
133.10144	22.7
135.08051	1.6
135.11711	15.2
143.08574	6.7
145.10141	5.8
147.11688	8.8
149.13263	42.4
151.11151	3.1
157.10135	8.8
159.11700	29.0
161.13225	9.1
165.07062	1.5
167.14346	1.6
171.11673	7.4
173.13205	5.6
175.14944	1.8
177.12714	12.2
179.14369	1.8
185.13232	8.8
187.14810	2.4
195.08052	33.3
195.13789	15.1
199.14822	7.7
209.13373	1.9
209.15691	1.6
211.14752	1.8
213.16499	11.6
227.17845	1.9
269.11508	2.5
269.17447	76.0
269.22607	63.7
280.30991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
54.88580	1.1
55.01875	1.1
55.05272	1.3
55.05512	15.6
57.03441	32.1
57.07058	5.4
58.63237	0.9
64.83106	1.2
65.03943	2.5
65.30199	1.1
67.05509	64.5
69.07069	29.6
70.06454	1.1
71.04977	5.5
71.08620	1.9
78.87946	1.1
79.05494	40.5
81.03426	1.2
81.07057	100.0
83.04539	1.2
83.04980	11.2
83.08610	18.3
85.06538	6.6
91.05476	17.6
93.07039	67.7
95.04961	2.9
95.08601	30.0
97.06543	16.5
97.10138	2.2
99.08074	4.6
105.03382	9.4
105.04552	1.1
105.07018	8.4
107.08593	38.9
109.06510	1.3
109.10139	5.8
111.08077	8.9
113.09625	1.5
117.06998	7.3
119.08556	2.2
121.06462	1.5
121.10136	29.5
123.11701	2.5
129.07022	1.2
131.08585	9.9
133.10098	12.0
135.08058	1.7
135.11734	11.5
139.11232	1.4
149.12134	2.1
149.13251	44.7
153.66235	1.4
159.11659	19.1
177.12738	9.5
181.08878	1.4
195.08022	7.3
195.13824	11.6
225.10132	2.2
226.10992	5.0
239.08160	5.2
241.13380	1.5
251.20033	2.3
254.10522	16.8
258.42548	1.4
269.08215	1.5
269.13171	12.3
269.17450	79.6
269.24905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05519	13.2
57.03447	28.1
57.07076	7.0
63.16724	2.6
67.05515	61.4
69.07069	30.5
71.04983	6.8
79.05505	36.3
81.03477	3.0
81.07056	99.2
83.04983	6.7
83.08612	23.6
85.06532	6.2
91.05469	22.4
93.07040	74.8
95.04967	4.6
95.08617	32.5
97.06529	23.7
97.10114	3.9
99.08123	3.3
105.07037	5.9
107.07486	3.1
107.08607	39.8
109.10161	6.6
111.08047	5.3
117.07022	15.6
119.08562	5.9
121.10132	23.8
123.11687	5.0
131.08568	18.2
133.10175	17.0
135.11711	17.0
145.10063	4.2
149.13271	35.0
149.92670	3.3
159.11737	24.1
177.12750	15.0
184.39493	3.3
195.08098	12.4
195.13817	5.7
211.14795	4.0
227.88809	3.1
228.23524	3.5
253.41982	3.1
269.17392	100.0
269.22302	5.9
284.06665	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.32612	1.6
55.05515	13.2
57.03445	29.1
57.07063	2.4
67.05509	69.9
68.17908	1.6
69.07072	31.7
71.04993	3.3
73.33630	1.7
77.01374	2.0
79.05502	40.3
81.07058	99.8
83.04980	9.0
83.08627	25.8
85.06537	3.8
91.05463	16.2
93.07041	71.2
95.04964	3.7
95.08599	26.4
97.06531	20.6
97.10198	2.1
99.08113	1.9
105.07001	3.7
107.08605	36.9
109.10163	3.0
111.08065	4.5
117.07024	9.8
121.10182	23.0
123.11642	2.8
131.08592	14.0
133.10139	20.8
135.11684	16.0
149.13269	33.9
159.11693	23.9
161.13203	3.0
177.12790	15.7
195.13823	14.1
269.08063	3.5
269.17474	100.0
269.22607	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	15.2
57.03453	33.7
57.07074	3.1
58.79801	2.6
67.05512	70.8
67.52183	2.8
67.78082	3.1
69.07076	27.8
71.04997	5.8
77.02559	3.3
78.37263	3.1
79.05486	36.0
81.07055	100.0
81.07497	5.2
83.05020	6.6
83.08644	21.2
89.60586	2.9
91.05482	26.9
93.07043	80.8
95.04974	5.2
95.08619	33.6
95.29665	3.3
97.06544	23.7
98.22616	3.3
105.07059	20.4
107.08583	54.7
109.10182	15.3
111.08094	5.1
117.07053	15.6
119.08620	16.2
121.10166	18.9
123.11711	4.2
131.08537	25.7
133.10120	26.1
133.62036	3.3
135.11722	16.1
143.08571	5.4
145.10204	17.3
147.11713	8.2
149.13246	30.6
155.08597	4.5
157.10139	8.3
159.11661	41.1
169.10091	3.9
171.11722	4.6
173.13326	5.4
177.12744	4.2
181.10204	4.8
183.11815	4.5
185.13330	6.0
193.90750	3.8
195.11833	3.6
195.13837	8.0
197.13284	11.8
213.16393	5.8
225.16513	6.5
227.18030	5.5
238.68507	3.4
251.18068	5.2
251.20346	5.8
269.08347	4.7
269.12720	6.9
269.17471	57.2
269.19330	33.3
269.22681	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01883	1.8
55.05521	18.2
57.03441	32.4
57.07085	2.6
67.05509	75.5
69.07069	34.5
71.04977	8.1
78.90496	1.2
79.05499	42.7
79.81995	1.3
81.07059	100.0
83.04971	7.9
83.08628	25.2
85.06540	7.5
91.05477	20.9
93.07039	77.5
95.04964	7.6
95.08607	25.1
97.06531	21.9
97.10159	1.8
99.08076	6.4
105.07017	5.3
107.04939	2.0
107.08597	38.8
108.05348	1.3
109.06525	5.8
109.10167	6.9
111.08087	9.5
117.07011	13.6
119.08581	1.9
121.10158	20.0
123.11690	8.4
131.08556	8.7
133.10118	21.4
135.11679	15.1
147.11719	2.8
149.13249	36.6
159.11668	29.6
161.13242	2.6
177.12714	15.1
195.07986	5.2
195.13753	14.4
207.67139	1.4
247.90669	1.5
252.20276	2.4
269.08093	5.8
269.17487	96.9
280.33942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01865	2.5
55.05512	13.0
55.55293	2.6
57.03439	26.1
57.07071	12.4
61.17633	2.6
67.05507	70.8
69.07072	30.3
71.04985	4.5
79.05499	35.5
81.07056	100.0
83.04971	11.0
83.08616	21.3
85.06552	4.0
91.05486	22.5
93.07041	80.6
95.04942	4.0
95.08627	26.4
97.06512	18.8
99.08083	5.2
105.07072	4.0
107.08598	41.2
109.10137	5.3
111.08069	10.9
117.07021	10.3
121.10160	22.3
125.09696	3.1
131.08571	15.8
133.10141	20.8
135.11710	5.5
144.82642	2.7
147.75288	2.7
149.13252	43.9
150.97929	2.5
153.91023	2.6
159.11690	33.8
177.12766	10.2
180.81575	3.0
195.13785	11.7
252.20546	3.8
269.08002	13.5
269.14893	4.9
269.17462	85.2
288.36115	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1898
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.01880	3.9
55.05516	7.3
57.04739	2.7
58.16336	2.7
63.73124	2.5
64.42673	3.1
67.05513	24.2
69.07069	20.1
70.47992	3.3
79.05488	22.4
81.07064	31.0
83.08631	5.0
91.05482	19.5
93.07041	43.8
95.04947	23.0
95.08600	37.7
97.06544	8.1
105.07031	31.2
107.08604	33.2
108.08984	3.8
109.06492	13.3
109.10159	18.3
117.07008	6.1
119.08588	53.5
121.10152	25.3
123.08119	6.7
123.11762	3.5
129.07018	5.5
131.08542	37.5
133.10121	41.4
135.08134	3.3
135.11739	6.3
139.11134	3.9
140.11615	4.1
142.07758	5.4
143.08560	24.8
144.09396	5.6
145.10110	39.9
145.40474	3.3
147.11684	12.3
149.09613	4.6
156.09305	5.3
157.10133	42.3
158.10927	7.1
159.11703	28.6
161.09627	4.5
161.13235	4.0
162.62544	3.5
169.10132	7.0
170.10896	13.9
171.11676	47.0
172.12502	4.0
173.13239	43.0
175.11241	3.6
179.08571	4.0
183.11720	7.0
185.13268	44.1
186.14063	6.8
187.14767	16.3
195.08070	18.7
195.11711	6.0
197.13277	6.4
199.11276	4.0
199.14842	15.3
209.13202	5.4
211.14859	12.0
213.12721	18.8
227.14360	6.6
236.15488	4.2
241.19527	5.6
251.17990	12.8
269.19000	100.0
269.22681	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05505	8.7
57.07057	5.5
67.05492	19.3
69.07068	17.7
79.05511	8.5
81.07046	25.5
83.08635	6.5
84.13464	3.3
91.05470	16.2
93.07032	29.2
95.04916	13.3
95.08611	39.7
97.06534	14.8
105.07023	23.2
107.08577	26.6
109.10166	9.1
117.06976	4.5
119.08562	36.7
121.10116	18.1
123.08029	4.7
123.11709	4.0
130.07825	4.9
131.08559	22.9
133.10132	32.4
135.08047	6.1
135.11696	5.2
143.08524	17.3
145.10106	31.7
147.11652	9.5
155.90952	4.0
157.10170	29.0
158.10912	6.9
159.11678	25.6
169.10146	5.7
170.10944	7.9
171.11700	42.2
173.13254	40.2
183.11678	8.1
185.13254	39.1
186.13972	6.3
187.14778	21.0
195.08034	16.5
197.13277	4.3
199.11189	4.9
199.14772	20.1
209.13283	4.6
211.14851	17.7
213.12674	7.0
213.16388	4.9
241.19501	6.5
251.17950	14.8
251.20265	5.2
269.18967	100.0
269.22565	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2108
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
54.19505	1.9
55.01882	5.3
55.05510	11.9
56.18959	1.9
57.03435	4.4
57.07080	42.6
63.85354	1.9
67.05508	45.7
69.07067	56.2
71.04976	8.8
71.08621	11.6
79.05495	15.4
81.07060	55.2
83.04987	20.8
83.08632	18.9
85.06537	28.8
91.05468	4.8
93.07035	29.2
95.08607	58.5
95.99294	2.2
97.06532	43.0
97.10129	7.5
99.08088	5.3
107.08587	36.2
108.92261	2.1
109.10144	33.6
111.08099	5.5
111.11702	4.4
114.71754	2.2
119.08611	3.5
121.10144	18.7
123.11681	13.4
133.10126	11.9
135.11699	61.9
137.09673	2.8
139.11156	2.1
141.09093	11.8
142.09409	2.8
145.10143	4.5
149.09624	2.5
149.13246	13.2
151.11115	2.5
153.12764	22.9
163.11205	9.7
165.01746	3.0
167.14355	2.8
167.42632	2.0
169.80829	2.1
173.13234	2.2
181.12129	2.8
183.80336	2.3
195.13780	2.6
205.19496	3.1
215.17996	3.7
217.14423	20.3
223.20523	4.7
233.18939	9.3
251.20032	100.0
251.24574	8.3
252.20367	3.7
269.21167	12.4
269.25772	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
54.29206	1.3
55.01881	51.3
55.05318	1.4
55.05521	21.7
57.07075	2.1
67.05509	25.3
69.07066	14.2
71.05012	1.8
71.08636	5.7
73.04086	1.4
73.06553	1.5
76.67515	1.4
78.06165	1.3
79.05500	15.8
81.07066	32.8
83.04971	8.8
83.08618	21.1
85.06547	3.0
91.05461	3.3
93.07053	18.7
95.08604	29.0
97.06515	8.9
97.10154	2.8
99.08088	2.4
105.07043	2.0
107.08592	23.2
109.10122	12.5
111.08078	100.0
119.08562	6.0
120.57507	1.4
121.10124	20.8
123.11702	14.5
125.09645	2.5
131.08553	2.5
133.10135	5.7
135.11731	11.8
137.09589	2.0
137.13264	2.5
139.11174	7.7
145.10172	2.1
149.09540	5.4
149.13260	8.9
159.11693	2.3
163.11279	1.8
163.14801	2.6
167.10658	3.2
167.14352	2.5
173.13263	2.9
181.12154	1.7
195.08047	6.3
195.13667	2.7
205.19472	3.2
215.18030	6.9
221.52412	2.2
223.20587	15.5
233.19026	9.7
246.27541	1.6
251.20024	75.7
262.15329	1.6
269.15332	1.9
269.19144	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05499	2.0
56.46178	1.8
57.07078	1.9
65.89999	1.7
67.05493	7.9
69.07073	3.9
72.19831	1.6
79.05466	3.5
79.53281	1.8
81.07063	18.6
89.13013	1.7
91.05470	4.1
93.07030	11.7
95.08597	20.0
97.10177	2.9
105.07047	7.9
107.08584	12.8
109.10141	15.6
111.11749	2.6
117.07022	2.3
119.08563	10.9
121.10146	4.6
123.11669	4.1
131.08598	10.1
133.10103	10.1
135.11731	4.5
143.08574	3.6
145.10101	12.6
147.11659	10.4
149.13283	2.6
157.10075	3.3
159.11700	14.1
161.13232	11.5
166.98183	2.3
171.11674	8.7
173.13251	19.2
175.14819	7.8
183.11754	2.1
185.13284	8.5
187.14828	17.1
195.08047	9.1
199.14835	13.5
199.51176	2.4
206.94876	2.0
213.16335	14.3
227.17908	4.5
269.15182	2.4
269.19611	4.9
269.22632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.06099	0.8
50.96693	0.9
53.33051	0.8
55.05508	2.2
55.49758	0.9
57.07072	1.4
58.32491	1.2
67.05502	7.3
69.07060	7.2
76.75442	1.1
78.39619	1.0
79.05499	4.5
81.07065	14.1
83.08613	5.5
88.07626	1.5
91.05491	1.8
93.07034	10.9
95.04972	1.6
95.08613	15.0
97.06532	1.5
102.09240	1.4
102.48296	1.1
105.07019	8.9
107.08617	10.6
109.10180	14.6
119.08604	8.2
121.10134	5.9
123.11686	2.8
130.93170	1.1
131.08566	5.0
133.10124	9.8
135.11684	1.1
143.08598	2.8
145.10149	13.5
147.11684	7.4
149.13242	4.8
151.78792	1.3
157.10135	5.6
159.11685	14.6
161.13214	9.4
171.11661	5.6
172.92926	1.1
173.13225	12.3
175.14809	2.8
185.13239	12.9
187.14807	5.1
195.08066	9.1
199.14859	10.7
201.16397	2.0
211.14709	1.3
213.16360	13.4
217.77554	1.1
227.17960	5.4
228.23264	33.9
228.26874	2.1
241.19524	2.3
256.15808	1.3
269.22626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.02941	0.8
55.01865	0.8
55.05512	4.8
57.03431	2.1
57.07076	1.9
67.05518	12.4
69.07076	11.5
71.04996	1.4
76.44589	0.8
79.05489	7.1
81.07070	25.1
83.04987	1.5
83.08616	5.0
91.05474	5.5
93.07045	16.0
95.08618	16.6
97.06528	2.1
97.10164	2.4
99.08108	1.0
105.07030	9.4
107.08614	18.3
109.10162	12.4
109.77635	1.1
117.07024	2.0
119.08587	12.6
121.10155	9.8
123.11715	4.9
129.07011	1.0
131.08554	10.7
133.10135	9.2
135.11673	7.0
143.08551	5.2
145.10126	12.2
147.11687	10.4
149.13257	8.7
157.10091	8.4
159.11702	16.2
161.13268	9.8
163.14832	0.9
171.11694	10.3
173.13290	10.5
175.14833	5.0
177.12708	1.0
183.11894	1.0
185.13232	9.9
187.14882	6.9
195.13779	3.9
199.14796	13.9
200.15599	1.6
201.16414	4.3
211.14865	1.9
213.16374	16.4
227.17850	7.9
241.19493	1.9
251.20024	1.3
269.08176	1.0
269.17639	6.0
269.22641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94007	2.3
55.05517	27.6
57.03416	2.9
57.07081	23.0
64.72391	2.5
67.05511	33.5
67.12218	2.0
69.07075	58.3
71.08629	16.2
76.61883	2.2
79.05496	14.9
81.07067	51.8
83.04986	4.6
83.08624	42.4
85.10149	2.9
91.05495	3.7
93.07043	37.3
95.04992	3.8
95.08604	42.5
97.06540	15.9
97.10170	34.5
105.07043	11.1
107.08601	38.0
109.10144	22.9
111.08102	14.6
111.11713	11.6
113.27277	2.2
119.08578	14.9
121.10150	33.6
123.11703	14.6
125.09618	4.5
126.34525	2.2
128.43083	2.7
131.08537	5.0
133.10120	10.4
135.11705	38.4
137.13248	3.5
139.11140	2.4
143.08563	5.1
145.10124	12.5
147.11684	9.8
149.13281	25.9
157.10133	15.7
159.11703	19.5
161.13229	5.2
163.14806	10.3
171.11726	11.3
172.73299	3.1
173.13275	13.5
175.14839	4.3
185.13271	5.2
187.14748	4.4
195.07973	24.9
199.14851	14.0
213.16359	17.5
215.63287	2.5
219.21088	36.7
227.17906	4.4
228.23131	5.8
237.22174	23.8
269.17438	2.7
269.22604	100.0
269.25195	4.4
269.26990	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90495	0.5
55.05505	3.9
56.05051	0.8
57.07072	2.8
58.24892	0.6
67.05523	6.3
69.07066	8.0
70.06580	0.9
71.08618	1.7
75.97634	0.8
79.05501	1.2
81.06680	0.7
81.07064	10.8
83.08613	6.6
84.08118	2.4
88.11575	0.6
93.07024	2.9
95.08597	11.0
97.06529	1.1
97.10172	4.0
98.09711	0.9
100.07594	1.0
105.07004	1.0
107.08573	3.1
109.06490	1.0
109.09577	0.5
109.10168	7.4
111.08035	1.1
111.11687	0.6
113.36650	0.7
114.09158	1.0
119.08561	0.9
121.10136	1.5
123.11706	2.8
133.10124	1.5
135.11691	2.9
137.13295	2.8
147.11674	3.3
149.13211	1.0
158.53673	0.7
161.13181	1.3
195.08092	4.0
210.22099	0.9
217.19513	3.7
224.23729	1.2
228.23331	0.8
235.20569	4.9
252.20551	1.9
252.23198	61.8
269.25864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44492	0.0
53.00320	0.2
55.01863	0.1
55.05515	0.4
56.05045	0.0
57.03438	0.2
57.07078	4.4
58.06597	0.0
59.03749	0.1
67.05499	0.3
67.27103	0.0
69.03415	0.0
69.07068	1.1
70.06606	0.1
71.04988	0.3
71.08631	1.8
72.04533	0.2
72.08145	0.2
74.06075	2.7
79.05499	0.0
81.07058	0.4
83.04959	0.1
83.08621	0.6
85.06540	0.2
85.10183	0.9
86.06033	0.3
86.09658	0.0
88.07624	10.4
93.07032	0.2
95.08587	0.6
97.06526	0.2
97.10198	0.3
100.07601	0.6
102.09176	6.0
107.08592	0.1
109.10154	0.3
111.08078	0.2
111.11710	0.1
114.09171	0.2
116.10717	2.1
120.96489	0.0
121.10114	0.1
123.11696	0.0
124.06128	0.0
125.09576	0.1
128.10687	0.1
130.12279	0.7
135.11717	0.1
141.17570	0.0
142.12292	0.1
144.13812	0.4
149.13321	0.1
149.77917	0.1
158.15370	0.3
169.20474	0.0
172.16943	0.2
186.18468	0.1
195.07956	0.3
210.22226	0.1
228.23201	100.0
246.24181	0.1
252.23271	0.1
269.23047	0.1
269.25775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.89776	1.7
76.74913	1.6
81.07175	1.6
84.11345	1.7
127.94598	1.7
130.72006	1.8
153.01889	2.2
242.05725	100.0
270.05228	61.0
270.07843	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83296	1.8
73.00620	1.8
81.07062	2.2
84.13098	2.0
102.93597	2.1
104.01319	2.5
104.03326	1.9
105.03382	16.2
121.06484	2.8
126.65308	1.7
138.88623	2.0
153.01918	2.9
242.05737	100.0
270.05206	67.7
270.08002	3.8
270.18051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23486	0.2
73.96961	0.2
75.54511	0.2
84.75195	0.2
99.52055	0.2
102.26674	0.3
105.07062	0.9
127.59073	0.2
128.63181	0.2
148.12437	0.2
149.21217	0.2
167.46562	0.2
180.13005	0.3
204.23296	0.2
225.07874	0.4
255.05176	3.0
268.05847	0.3
270.07590	100.0
270.11139	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23486	0.2
73.96961	0.2
75.54511	0.2
84.75195	0.2
99.52055	0.2
102.26674	0.3
105.07062	0.9
127.59073	0.2
128.63181	0.2
148.12437	0.2
149.21217	0.2
167.46562	0.2
180.13005	0.3
204.23296	0.2
225.07874	0.4
255.05176	3.0
268.05847	0.3
270.07590	100.0
270.11139	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.076
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
53.57143	0.3
56.59290	0.3
61.11734	0.3
70.06596	0.4
70.14510	0.3
80.40503	0.3
107.04963	0.5
137.05968	0.5
161.32175	0.3
207.08183	0.5
212.73416	0.4
227.25012	0.3
234.02139	3.1
242.08057	0.5
252.03200	0.5
255.05284	1.6
270.07617	52.8
270.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0759
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
54.12120	0.4
57.74377	0.3
71.78236	0.5
77.35157	0.4
101.49892	0.4
171.35133	0.4
175.05667	0.5
184.98257	0.4
204.64262	0.4
204.94586	0.5
224.07018	0.6
234.02182	0.7
255.05193	3.1
270.07596	100.0
270.10822	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.076
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
52.25125	0.2
55.81406	0.2
58.50616	0.2
64.15890	0.2
78.92092	0.2
80.04298	0.2
115.13329	0.2
118.63478	0.2
120.87807	0.2
183.06735	0.4
192.11398	0.2
196.07581	1.1
197.08363	0.5
198.09099	0.3
211.06265	0.5
212.07071	0.3
224.07077	1.7
225.07855	1.9
226.08611	0.9
240.06503	1.6
242.08119	4.2
252.06502	1.5
255.05344	0.6
268.05978	1.5
270.07593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00210	0.7
70.06586	1.2
75.05022	0.9
84.08150	0.9
84.28397	0.7
86.06059	1.2
87.04471	3.8
93.34106	0.8
97.07641	1.2
98.49509	0.9
104.07101	3.8
107.04990	7.5
108.04516	0.9
108.06396	1.2
110.07182	1.1
115.05428	1.0
119.55833	0.8
121.06454	0.9
121.98331	0.8
122.06034	1.4
124.57050	0.8
126.81957	0.8
128.07079	1.0
131.04953	1.3
133.06575	0.9
139.03900	5.3
144.05751	1.0
145.06506	4.8
149.05962	1.2
159.04424	10.8
161.04210	1.4
161.04562	1.5
161.05968	15.8
162.05484	18.2
162.06761	20.1
163.01956	1.2
163.06271	5.5
164.07060	1.9
167.03369	6.2
167.06949	0.9
168.02409	4.4
173.05981	1.8
174.06726	2.8
179.09396	4.6
181.03123	3.5
182.03949	1.7
184.11638	1.4
189.03668	31.5
191.01572	0.9
193.03194	4.1
194.03987	6.4
195.04807	3.8
204.36522	0.9
207.02911	1.8
207.04742	30.2
209.02681	1.4
210.05873	1.8
211.06754	1.2
224.07414	5.6
227.03749	4.2
235.04239	3.9
245.94496	1.8
252.06665	1.3
253.05341	7.6
270.07941	100.0
270.11182	16.5
270.15366	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98445	0.4
98.06041	1.6
111.96144	0.4
121.06486	0.7
124.07636	0.5
125.09599	0.9
137.05991	0.7
137.84583	0.4
140.10641	0.4
146.08089	0.6
162.05534	0.5
170.09171	0.4
186.11168	0.6
235.07512	0.6
270.08075	3.7
270.11227	100.0
270.16891	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27243	0.2
53.89289	0.2
55.24239	0.2
67.99624	0.2
73.27724	0.2
98.06039	0.5
99.96233	0.2
121.06583	0.3
121.86924	0.2
159.58708	0.2
194.09222	0.2
215.59891	0.2
218.77608	0.2
227.07207	0.3
240.10088	0.5
240.26350	0.3
252.10164	2.6
252.20464	0.2
255.06468	0.4
255.08899	0.5
270.08002	4.3
270.11221	100.0
289.22070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50714	0.2
56.99419	0.2
61.18750	0.2
66.31600	0.2
70.06221	0.3
70.06583	3.2
86.09708	1.0
92.21581	0.3
107.04938	0.5
137.05965	0.9
162.05457	0.5
163.06274	0.4
165.92380	0.3
183.14970	0.3
203.31590	0.3
207.08110	0.4
208.71069	0.2
212.59650	0.2
229.53824	0.2
235.07489	0.3
249.67352	1.0
270.11230	100.0
279.76166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	p-Hydroxytriamterene
Peak:m/z	Relative Intensity
54.98445	0.4
98.06041	1.6
111.96144	0.4
121.06486	0.7
124.07636	0.5
125.09599	0.9
137.05991	0.7
137.84583	0.4
140.10641	0.4
146.08089	0.6
162.05534	0.5
170.09171	0.4
186.11168	0.6
235.07512	0.6
270.08075	3.7
270.11227	100.0
270.16891	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1123
Annotation	p-Hydroxytriamterene
Peak:m/z	Relative Intensity
70.06611	0.4
88.00301	0.2
104.57767	0.3
107.04939	0.7
115.68652	0.3
137.05968	0.4
142.89655	0.3
149.69466	0.3
154.42798	0.3
162.05449	0.4
163.06230	1.1
164.06931	0.3
207.08081	0.5
227.07027	0.4
237.90669	0.3
243.35161	0.4
270.11234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
84.15652	0.2
104.81524	0.2
107.04961	0.9
128.47884	0.2
131.03621	0.2
137.05997	0.5
163.06261	0.9
170.06270	0.2
207.08116	0.9
235.07462	0.2
270.11237	100.0
294.74789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	p-Hydroxytriamterene
Peak:m/z	Relative Intensity
52.27243	0.2
53.89289	0.2
55.24239	0.2
67.99624	0.2
73.27724	0.2
98.06039	0.5
99.96233	0.2
121.06583	0.3
121.86924	0.2
159.58708	0.2
194.09222	0.2
215.59891	0.2
218.77608	0.2
227.07207	0.3
240.10088	0.5
240.26350	0.3
252.10164	2.6
252.20464	0.2
255.06468	0.4
255.08899	0.5
270.08002	4.3
270.11221	100.0
289.22070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56995	0.1
50.79130	0.1
52.67208	0.1
57.83710	0.1
66.02432	0.2
66.14385	0.2
71.76275	0.2
102.58439	0.2
107.04984	0.9
107.78664	0.2
121.06492	0.2
127.01733	0.2
137.05954	0.4
162.05481	0.4
163.06244	0.4
207.07939	0.7
208.12404	0.2
225.07704	0.2
227.06985	0.3
235.07513	0.3
240.06618	0.2
255.05153	1.0
270.07645	32.6
270.11221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90547	0.2
55.37096	0.2
66.57349	0.3
75.71106	0.3
80.55820	0.2
96.68536	0.3
111.52931	0.3
171.05128	0.3
227.07022	0.5
238.09322	0.4
252.10150	2.2
255.06480	1.6
255.08841	0.5
270.11240	100.0
291.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18766	0.3
60.28174	0.2
64.70175	0.3
66.88483	0.3
70.06581	0.5
72.04523	2.0
73.06547	0.3
85.02909	1.5
91.05481	0.7
93.07044	2.5
95.04949	0.4
103.05450	2.1
114.05518	0.5
121.06499	100.0
129.97894	0.3
132.06554	9.6
136.06197	0.4
137.05965	0.4
138.09180	0.3
150.07620	0.4
150.09154	0.8
162.09224	0.3
178.08684	0.4
180.10143	0.3
181.45844	0.3
184.09695	0.4
217.91220	0.4
224.09212	2.5
237.39252	0.3
252.12285	35.0
270.09897	1.3
270.13336	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75989	1.4
51.35539	1.6
55.05518	3.6
57.07078	4.6
60.05574	1.8
67.05515	23.5
67.07314	2.3
68.66225	2.0
69.07070	11.7
71.99155	1.7
79.05511	19.0
79.23629	1.7
81.07053	29.2
83.08618	13.3
85.06532	3.0
91.05490	29.0
93.07053	51.4
95.04951	2.5
95.08617	26.7
97.06524	11.9
97.10158	3.6
99.08114	3.4
105.07016	8.0
107.08607	29.4
109.10172	16.8
111.08080	10.6
117.07018	8.6
119.08594	26.0
121.10131	39.7
123.08079	13.8
123.11701	4.2
125.05978	9.3
125.09626	2.9
127.11131	2.2
131.08559	3.8
133.10132	35.3
135.08037	9.6
135.11705	9.3
137.09590	22.7
139.07532	3.4
143.08527	2.8
143.15186	2.6
145.10153	3.1
145.73035	2.2
151.11166	8.8
153.09149	2.3
157.10168	2.4
161.13277	2.8
161.81328	2.3
171.11671	2.4
175.14789	7.3
189.16379	21.0
193.04970	8.4
199.14801	20.9
217.15858	29.3
217.19504	3.1
235.16925	100.0
252.19576	27.8
253.18028	3.6
269.07999	4.9
270.08392	10.0
270.24167	2.8
271.19110	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
67.05510	17.7
67.11640	2.3
69.07079	3.7
72.12691	2.3
79.05500	21.8
80.70708	2.6
81.07058	58.5
83.08623	24.6
86.06094	2.6
91.05467	14.6
93.07054	23.1
95.08609	13.1
97.10163	34.9
99.08133	2.6
105.07030	11.4
107.08596	48.5
109.06513	55.8
109.10153	12.0
111.08102	4.5
117.07023	18.9
119.08556	4.4
121.10151	23.8
124.11237	15.2
125.09624	51.6
131.08543	20.2
133.10126	6.1
135.08064	25.3
137.09653	3.1
142.12279	19.8
143.08548	4.6
152.10690	5.0
153.09113	15.8
157.10118	5.5
170.11775	100.0
171.10156	2.6
189.11237	9.3
189.16397	19.9
199.14857	16.7
206.70125	2.2
217.15895	14.1
235.16924	64.9
252.19553	63.0
255.06683	4.4
270.07739	12.0
270.20541	9.2
270.23087	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15063	1.4
55.05519	15.1
56.05019	1.6
57.07085	81.5
65.72678	1.4
67.05515	20.5
69.07071	45.7
71.04998	3.2
71.08636	2.5
79.05523	6.1
81.07068	36.1
81.07509	3.1
83.08623	33.7
85.06549	88.1
91.05479	3.5
93.07047	8.7
95.08614	43.8
97.06492	2.1
97.10180	22.7
99.08089	3.2
101.09666	3.0
101.48908	1.8
105.07017	3.0
107.08618	3.2
109.10174	18.0
111.08083	2.9
111.11707	10.3
113.09639	7.2
119.08595	8.1
121.10156	8.9
123.11701	18.4
127.11202	2.1
133.10130	11.4
135.11711	20.4
137.13271	11.5
139.11188	2.3
147.11694	6.6
151.11151	2.0
151.14806	3.3
153.06726	1.8
153.12776	4.0
161.07980	1.6
161.13229	9.3
168.97801	1.4
175.14830	2.4
185.05025	1.6
193.19620	1.7
194.60316	1.7
207.21144	3.0
217.19519	15.8
225.22180	7.0
235.20700	11.6
253.21538	2.7
265.72726	1.8
270.07416	3.2
270.24304	48.9
271.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.4
57.07076	7.3
63.66662	4.7
64.77487	5.4
67.05511	25.7
69.07072	57.2
71.04997	8.3
81.07069	58.4
83.08643	42.2
87.00533	4.9
88.07626	22.0
93.07040	10.4
95.08608	100.0
97.10160	38.1
102.05568	7.4
109.10168	72.9
111.11739	12.7
121.10152	19.4
123.11732	28.4
135.11681	8.5
151.14798	6.8
199.02618	7.9
207.21066	11.9
208.03273	30.7
235.20708	7.0
240.10484	6.7
242.24840	6.4
270.24365	68.2
271.22714	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90166	4.2
55.05516	35.0
57.07082	71.4
58.53203	4.1
67.05511	56.0
69.03407	5.4
69.07076	100.0
71.08629	11.1
79.05495	13.0
81.07067	94.5
83.08622	73.1
85.10181	43.8
86.23163	4.8
88.07656	5.2
91.05533	8.5
93.07037	35.0
95.08616	85.9
97.06537	10.8
97.10184	46.4
99.08086	10.9
105.07002	12.3
107.08597	27.1
109.10184	53.9
109.66576	5.5
111.11732	26.8
113.09669	41.9
119.08579	30.2
121.10133	22.7
123.11711	29.5
125.13194	6.1
127.11178	23.5
129.24345	6.3
133.10143	36.0
135.11700	12.7
137.13258	11.2
147.11676	27.2
151.11191	9.4
151.14790	9.8
161.13300	20.8
172.11981	6.9
174.13602	6.6
193.19479	7.3
217.19534	47.9
235.20699	38.6
252.23230	23.3
253.21599	11.7
270.19296	30.9
270.24551	57.4
271.22681	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94320	1.0
55.05516	15.7
57.06834	1.3
57.07079	9.3
66.61038	1.1
67.05508	13.1
69.07071	38.1
71.04993	1.3
71.08632	96.0
72.17327	1.1
79.05489	6.8
81.07056	35.4
83.08628	31.5
85.06533	3.1
85.10176	1.7
87.08096	1.6
88.07605	1.4
91.05472	3.0
93.07034	11.6
95.08609	32.4
97.06522	7.5
97.10174	19.0
99.08093	76.1
105.07026	4.7
107.08575	5.2
109.10163	23.9
111.08125	1.3
111.11742	11.5
115.07556	1.5
119.08573	6.4
121.10133	25.0
123.08051	2.1
123.11722	15.6
124.41428	1.4
125.09638	1.7
125.13263	2.3
127.11173	7.2
133.10156	12.9
135.11694	8.9
137.09631	3.1
137.13216	9.5
139.11163	2.1
141.12730	1.6
147.11707	9.7
151.11177	2.6
151.14864	5.2
153.12755	4.9
155.10703	1.9
161.13214	7.0
165.12733	2.8
175.14854	2.8
176.14374	3.1
179.14371	4.9
193.15846	1.3
193.19484	1.6
196.08371	1.7
207.21051	2.1
217.19514	17.0
225.22110	10.2
230.48557	1.3
235.20580	11.4
253.21620	8.1
270.24286	44.6
270.27036	2.2
271.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09651	1.1
53.00312	1.3
55.05526	16.9
57.03463	1.8
57.07082	26.8
58.64985	1.2
67.05505	19.3
69.07075	41.0
69.07437	1.8
71.04994	1.8
71.08647	6.2
73.06572	5.9
76.23375	1.2
79.05490	10.6
81.07059	36.2
83.04984	1.2
83.08618	25.9
85.06563	1.7
85.10188	100.0
90.93436	1.2
91.05499	7.0
93.07059	7.2
95.08609	49.1
95.09188	2.4
97.06558	2.5
97.10162	29.8
98.05022	1.3
99.08113	2.8
101.06097	1.3
105.07061	5.9
107.08608	20.1
109.10149	22.4
111.08099	1.4
111.11725	11.4
113.09643	90.6
119.08566	9.0
121.10176	8.4
123.08083	1.8
123.11681	16.0
125.09651	1.9
125.13248	1.7
133.10146	13.4
135.11708	7.8
137.09644	2.7
137.13284	8.0
139.11176	4.8
141.12770	5.5
147.11674	10.2
149.13235	2.6
151.11240	8.3
151.14848	2.7
153.12735	4.2
161.13293	7.8
165.12804	5.3
175.14787	2.6
179.07967	1.2
179.14336	1.7
207.21182	2.8
217.19519	19.4
225.22177	8.4
235.20529	16.2
253.21631	7.8
270.24393	38.5
271.22656	80.7
291.33194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	42.0
57.07081	100.0
60.09811	4.6
67.05504	44.2
68.45996	6.5
69.07079	85.5
71.08658	7.5
79.05499	10.4
81.07061	77.2
83.08617	66.2
85.10155	7.1
88.07642	7.0
91.05495	12.3
93.07037	13.3
94.14703	6.2
95.08617	81.2
97.06597	8.8
97.10164	44.3
97.18127	6.8
99.08131	7.3
107.08611	11.8
109.10146	64.6
111.11752	14.0
113.09637	7.0
119.08620	10.4
121.10127	11.0
123.11717	38.5
125.13332	9.5
127.11233	39.2
133.10132	34.0
135.11716	15.5
137.13303	27.9
147.11705	11.8
148.71074	6.4
149.13358	8.1
161.13249	11.7
217.19511	51.1
232.46570	7.2
235.20528	49.9
241.71365	8.2
247.53854	7.3
252.23148	27.1
253.21608	16.8
270.07553	8.8
270.24252	65.6
271.22626	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36509	1.7
51.98327	1.7
55.05510	12.2
57.07081	50.6
67.05511	41.1
69.07066	38.5
71.08631	42.1
72.50705	1.8
74.77995	1.8
78.16318	2.0
79.05488	4.1
81.07063	100.0
83.08617	22.4
91.05505	3.1
93.07032	4.9
95.08605	86.5
97.10186	17.4
107.08614	3.5
109.10160	59.3
111.11715	11.9
119.08553	4.2
121.10165	8.1
123.11705	34.2
125.13192	4.7
133.10129	8.4
135.11667	12.8
137.13274	10.7
141.09091	2.7
141.12749	29.5
144.53899	2.1
147.11693	11.9
149.13231	2.7
151.11206	3.8
151.14848	4.7
153.48151	2.1
153.71245	2.0
161.13229	10.1
165.16321	2.9
175.14755	2.7
207.21022	25.4
217.19519	29.8
235.20575	30.5
253.21591	33.9
270.19449	4.3
270.24338	28.6
271.22748	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00345	1.6
55.05523	16.1
57.07079	3.8
67.05508	18.0
69.07072	37.3
71.04997	77.0
71.08609	1.7
71.34712	1.7
72.08327	1.5
79.05478	1.7
81.07065	31.3
83.05005	1.8
83.08630	27.4
85.86985	1.5
91.05481	2.0
92.33276	1.8
93.07046	7.1
95.08614	38.3
97.10176	24.5
99.08096	12.6
105.07045	2.5
107.08612	3.6
109.10165	23.3
111.08067	3.3
111.11736	13.2
115.11293	2.2
119.08604	2.4
121.06456	1.8
121.10125	7.8
123.11725	19.5
133.10124	7.7
135.11652	6.6
137.09622	2.6
137.13274	8.3
138.42004	1.7
139.11162	1.8
147.11705	4.2
149.13269	3.1
151.14816	3.0
161.13237	3.9
170.14868	1.8
175.14848	2.2
207.21126	7.5
217.19510	11.3
225.22131	3.9
235.20549	6.4
253.21690	4.2
270.19385	2.5
270.24338	32.4
271.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.4
55.33969	2.5
57.07074	11.0
60.59991	2.3
67.05502	14.7
69.07079	27.2
71.08638	3.6
81.07050	22.5
83.08616	18.3
91.33874	2.5
95.08594	25.5
97.10171	12.8
101.04253	3.3
109.10170	12.3
121.10128	3.1
126.09176	4.2
142.15926	12.0
144.10164	5.2
148.88280	2.8
157.47424	3.2
158.15393	5.0
165.12738	3.0
191.71762	2.5
217.19513	4.4
252.23250	16.2
265.77136	2.6
270.24350	100.0
270.27890	12.4
271.96005	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26137	1.1
52.19985	1.4
52.20230	1.1
55.05515	1.4
56.94164	1.1
57.07073	6.0
67.05519	1.8
69.07048	2.3
71.08636	1.4
81.07043	2.4
83.80009	1.4
85.10171	1.4
88.07624	2.5
93.07066	1.2
93.34628	1.2
95.08611	3.2
102.09179	8.9
116.10767	2.3
135.31224	1.3
179.54478	1.4
196.08252	2.0
270.07495	2.1
270.11331	1.7
270.24600	5.4
270.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2789
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
53.68615	1.0
57.07079	3.9
58.35692	0.8
61.88537	0.8
71.08624	1.2
72.04506	1.3
73.26234	0.9
73.74212	0.9
82.35212	0.9
87.29388	0.9
88.07626	2.2
92.20905	1.0
102.09175	2.4
116.10718	4.3
117.09012	0.9
126.56777	0.9
189.36568	1.0
196.08452	6.7
201.03236	1.0
207.31616	1.0
242.08951	1.0
270.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60015	10.2
55.41120	10.4
58.13057	10.7
62.36605	9.1
62.43626	10.1
63.13463	9.3
81.03398	15.6
87.04474	17.7
97.02872	13.8
104.84206	9.4
109.08453	11.6
121.06494	12.9
122.06854	25.8
123.09483	11.0
134.05962	12.0
142.44646	11.3
191.90233	10.5
213.57214	10.8
271.02139	51.0
271.06622	21.1
271.10391	13.3
271.12891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74643	9.3
54.19851	7.8
56.82857	8.1
82.93193	10.8
87.04478	10.6
95.06107	9.8
108.04452	18.6
122.02397	11.5
126.05545	10.3
127.03925	22.4
147.04471	15.0
165.15331	10.1
179.20238	9.6
230.93642	10.4
254.06560	14.6
271.02200	100.0
271.07697	21.0
271.10556	47.6
271.13742	45.3
271.16602	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94643	13.3
55.99949	9.4
59.88552	9.5
72.53439	11.7
90.41028	10.4
181.05780	12.5
245.95923	12.8
271.02148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Galangin
Peak:m/z	Relative Intensity
67.05516	0.5
77.75461	0.4
81.07057	0.6
81.13659	0.4
84.18591	0.4
95.08605	0.4
99.08081	0.4
105.03396	1.0
108.54184	0.3
111.10477	0.4
153.01808	1.9
165.01837	0.8
211.07535	0.5
215.07076	0.6
215.09138	0.4
271.06003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.39048	0.3
54.04120	0.2
55.49202	0.3
56.08142	0.2
57.03714	0.2
60.91296	0.3
61.72417	0.3
67.95135	0.3
74.58764	0.2
81.07011	0.4
89.20682	0.3
92.20882	0.3
95.08619	0.6
103.81874	0.3
105.07047	0.3
105.73533	0.2
107.08600	0.4
109.10155	0.6
109.62119	0.3
111.08055	0.3
117.07091	0.3
119.04936	0.7
119.08549	0.3
145.06526	0.3
151.08476	0.3
153.01749	2.1
157.10095	0.3
159.08047	1.4
168.52240	0.3
171.02769	0.5
183.95140	0.3
186.70316	0.3
223.78076	0.3
225.05440	0.3
225.16425	0.4
243.06274	0.4
250.63405	0.4
271.06000	100.0
271.16980	1.6
271.20508	1.1
271.24182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Galangin
Peak:m/z	Relative Intensity
52.72014	0.3
106.99925	0.4
119.04966	0.5
121.02828	0.5
131.38261	0.4
145.02824	0.7
153.01799	4.4
171.02872	0.7
245.83376	0.4
271.06009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.11476	0.5
52.14745	0.6
55.01908	0.6
67.05500	1.6
67.49638	0.6
68.52937	0.6
78.71655	0.7
81.07050	1.3
89.31236	0.7
91.05463	2.6
93.07035	1.2
95.08611	1.6
95.11742	0.6
97.06532	1.1
105.07068	1.1
107.08574	3.2
109.10162	4.0
117.07005	0.9
119.04976	1.2
119.08595	0.6
121.02938	0.6
121.10170	0.9
131.08502	0.9
133.10143	2.8
141.07037	0.8
145.06621	0.7
145.10129	1.0
149.09650	0.7
151.37918	0.6
153.01846	4.8
155.08504	1.3
159.08055	7.8
159.11650	0.9
165.06984	4.7
171.02876	1.1
173.09573	1.2
183.08054	3.1
210.06714	0.8
211.07568	4.8
239.07082	0.9
243.10097	0.9
253.15898	0.9
271.05997	100.0
271.09525	9.6
271.16879	9.2
271.20471	3.7
271.24048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Galangin
Peak:m/z	Relative Intensity
54.51495	0.3
56.87571	0.3
58.03825	0.3
59.69536	0.3
71.52823	0.3
91.05431	0.3
93.46627	0.3
103.08450	0.3
115.32169	0.4
116.59310	0.3
119.04948	0.7
122.45253	0.3
130.68597	0.3
145.02856	0.6
153.01801	2.7
170.80762	0.3
197.58916	0.3
225.05333	0.4
247.38954	0.3
263.08414	0.4
271.05997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67719	3.9
60.57004	4.9
69.03427	5.3
70.06589	34.5
76.16832	5.1
78.83174	4.8
81.03416	100.0
82.02921	7.6
82.06568	6.8
83.04985	7.4
95.04987	6.5
96.04488	10.9
97.02888	23.7
99.04433	6.7
108.04509	6.8
110.06055	37.5
111.04436	20.7
116.07094	21.7
119.49289	5.6
120.04487	9.1
122.06015	21.3
126.05418	5.3
134.05997	58.3
138.02962	7.4
138.05423	8.0
148.03949	9.1
150.05482	31.6
152.03421	6.2
152.07001	11.7
154.04987	30.4
165.06557	21.6
166.04962	21.1
168.06480	6.2
170.08064	9.3
178.04968	19.8
180.06581	9.1
192.06589	7.0
194.04510	27.0
195.07710	38.0
196.91689	6.3
210.07625	35.9
223.07076	24.2
228.08630	12.3
236.05563	11.8
242.06535	12.1
253.08093	76.4
271.09140	43.7
293.23770	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
68.44392	1.3
87.57870	1.3
91.05463	3.3
92.20878	1.6
95.08622	1.6
97.10200	1.4
103.05470	7.1
105.06994	1.7
107.08566	1.9
119.04944	2.0
131.04933	29.3
153.06979	6.0
155.08574	2.8
165.05630	2.5
165.06992	20.2
165.53842	1.4
167.03394	100.0
167.08644	1.6
181.06454	1.5
182.07280	2.0
183.08049	15.7
187.14928	1.5
204.26787	1.5
211.07550	17.3
221.06055	2.8
242.09183	1.8
271.09610	96.4
271.16782	1.9
271.23907	1.6
290.82074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
50.41595	0.3
51.96356	0.4
57.07077	0.6
65.94617	0.3
67.01864	0.8
67.05503	0.4
71.41569	0.4
72.78664	0.3
77.61092	0.3
79.05524	0.8
85.54942	0.4
89.37388	0.3
90.79678	0.4
91.05471	1.8
91.63011	0.4
99.04437	0.7
101.66124	0.4
103.05465	11.5
107.04967	3.0
121.10130	0.5
131.04926	67.2
137.05956	0.8
141.05359	0.4
159.93558	0.4
165.05467	5.8
167.03387	90.1
169.03380	0.5
173.06038	4.1
174.97403	0.4
185.04466	2.5
193.04953	0.9
227.22478	0.5
229.08609	0.9
243.10118	0.6
264.43365	0.4
271.09631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.34500	0.5
57.07073	0.6
67.05490	0.7
69.07062	2.8
71.05010	0.6
81.07061	2.7
83.08629	2.4
89.53869	0.6
92.20993	0.6
92.77380	0.6
95.08613	5.4
96.08958	0.8
97.10201	1.1
103.05451	2.5
104.49075	0.6
105.36113	0.6
109.10144	3.3
110.10476	0.9
111.88418	0.7
125.03103	0.7
131.04916	8.0
137.37041	0.6
151.85785	0.6
167.03394	100.0
170.02039	0.9
172.32288	0.7
208.53455	1.3
230.24780	7.7
271.09659	25.1
271.22485	1.2
272.23035	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0961
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.51346	0.5
55.82384	0.5
70.40276	0.5
72.48706	0.5
91.05464	2.1
91.91661	0.5
103.05471	7.1
104.11478	0.5
105.03367	0.5
107.04979	2.0
127.98113	0.6
131.04921	47.1
165.05444	3.4
167.03384	84.2
173.05936	2.1
178.76778	0.6
185.04456	1.2
191.07086	0.6
193.04919	0.5
209.01405	0.6
215.06914	0.6
229.08630	1.2
240.79425	0.6
271.06342	4.5
271.09613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.95835	0.2
56.61304	0.2
90.02299	0.3
121.06502	0.3
124.78903	0.2
130.95966	0.2
133.24799	0.2
137.05994	0.4
151.08624	0.2
206.06325	0.2
215.67253	0.2
222.54285	0.2
229.09708	0.3
243.11304	1.1
256.12079	0.5
271.14386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95835	0.2
56.61304	0.2
90.02299	0.3
121.06502	0.3
124.78903	0.2
130.95966	0.2
133.24799	0.2
137.05994	0.4
151.08624	0.2
206.06325	0.2
215.67253	0.2
222.54285	0.2
229.09708	0.3
243.11304	1.1
256.12079	0.5
271.14386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.06090	2.9
58.07076	3.2
65.54319	2.7
67.05542	4.1
69.07073	4.8
81.07043	6.9
92.74044	3.4
95.08607	3.3
96.08031	3.8
107.08537	3.0
108.08109	17.7
110.40719	3.1
163.31673	3.3
174.09036	5.0
181.10208	3.9
196.07689	3.5
197.08382	22.3
198.12746	15.3
199.08690	6.8
202.33275	3.7
211.09869	25.4
213.10205	13.7
214.10989	3.5
215.15424	5.0
226.12303	49.7
227.11852	7.1
228.12619	41.3
243.15001	27.4
248.49004	4.0
253.13301	6.4
256.07376	3.7
256.12057	23.3
271.14426	100.0
271.17227	5.9
271.24268	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48470	1.9
51.02498	1.5
51.54582	1.6
54.43158	1.5
55.05514	9.6
57.07082	11.2
62.06097	4.7
64.20181	1.5
67.05503	16.2
69.07069	28.7
70.07409	2.2
71.04982	12.7
71.08630	9.6
79.05491	4.4
81.07063	34.4
82.07413	6.7
83.08213	2.0
83.08628	20.1
84.08940	1.9
85.06544	2.8
85.10197	3.6
87.06837	1.8
91.05481	4.3
91.50517	1.6
93.07035	10.9
95.04984	2.2
95.08605	41.1
96.08934	10.4
97.10166	13.1
98.10496	3.5
105.07051	8.8
107.08596	12.4
109.06519	21.0
109.10181	24.4
110.10510	7.2
111.11723	7.7
116.72443	1.8
119.08607	4.5
121.10139	3.2
123.08064	2.0
123.11717	12.5
124.12057	3.4
129.06984	2.9
131.08580	4.8
133.10158	2.7
135.08057	17.2
135.11736	4.2
137.09613	2.5
143.08565	10.4
145.10152	16.9
147.11720	2.1
149.09615	4.0
155.08563	4.6
156.09344	2.2
157.10124	4.8
159.08029	3.3
159.11594	3.2
161.09673	1.8
161.13283	2.5
165.06927	2.5
169.10107	4.3
171.11697	13.0
180.09296	3.1
183.11676	2.7
185.13257	3.7
187.11145	3.0
187.14835	2.5
195.11722	17.3
201.12656	2.2
209.13365	2.5
211.14816	12.3
212.23676	4.7
213.12766	21.9
221.90196	1.9
229.15858	7.9
230.24777	100.0
235.14789	3.0
253.15904	8.9
271.06360	1.9
271.17050	14.9
271.20157	4.2
271.22498	7.3
271.24905	5.9
272.23059	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	Hexestrol
Peak:m/z	Relative Intensity
55.05520	3.6
55.17300	1.2
57.03442	2.5
62.41441	1.4
63.78904	1.3
66.12104	1.2
67.05506	5.9
67.64400	1.4
69.07069	2.6
79.05513	2.6
81.07070	9.6
83.08628	1.5
85.06570	1.6
91.05472	2.9
93.07040	3.3
95.08630	7.0
97.10165	2.0
105.07038	3.5
107.08611	8.1
109.06570	2.6
109.10170	8.5
117.07026	8.0
119.08588	8.8
121.06519	2.4
121.10136	6.1
122.06818	1.7
129.07050	2.6
131.08580	3.7
135.08067	5.8
135.11748	3.0
138.04547	1.9
143.08618	2.1
144.05722	2.0
145.06499	1.7
145.10133	8.4
147.08037	2.0
147.11699	2.2
157.06497	2.1
157.10187	7.6
159.08047	85.9
159.11696	2.2
161.13281	1.7
169.10152	2.5
173.09673	9.0
173.13220	2.3
175.07588	1.7
175.14893	2.0
177.16586	1.6
185.09708	8.5
187.14865	2.2
197.13324	1.9
201.16434	3.5
209.19295	1.7
211.11301	2.9
211.14844	5.2
215.14403	7.8
222.67549	1.5
243.17383	2.0
253.09044	1.5
253.15866	10.1
271.06067	2.5
271.16995	100.0
271.20416	3.0
271.21091	3.2
271.24170	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2054
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
61.76728	1.6
63.66653	1.9
67.05508	3.9
69.07059	1.8
69.51648	1.9
72.40458	1.8
76.15454	1.6
80.72243	1.5
81.07050	8.6
89.71114	2.2
91.05496	2.7
93.07034	9.0
95.08607	12.1
105.07047	8.1
107.08576	3.9
109.10168	8.7
119.08561	8.2
121.10135	2.0
131.08548	4.6
133.10146	7.7
135.11725	2.7
143.08568	8.0
145.10124	18.1
147.11682	11.8
149.13272	4.1
155.08511	3.7
157.10138	10.5
159.11678	12.6
161.13216	2.6
169.10098	2.4
171.11665	9.8
173.13254	2.7
175.11122	3.4
183.08002	2.2
183.11742	4.1
187.14920	2.9
197.13246	18.0
199.14790	30.4
207.94473	2.2
211.07463	2.4
211.14821	12.5
225.16377	3.7
227.17946	3.5
243.21223	2.6
253.19519	76.6
271.09634	4.0
271.17511	3.7
271.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2055
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
55.05529	1.7
56.96048	1.4
64.49908	1.6
64.62852	1.6
67.05502	3.6
68.63251	1.4
69.07072	2.7
76.59053	1.6
79.05495	7.2
81.07060	12.9
82.61071	1.6
83.08615	2.1
83.64432	1.6
91.05462	8.9
93.07040	12.6
95.08600	13.7
105.07036	13.1
107.08610	13.5
109.06532	2.2
109.10153	10.8
117.07037	3.1
119.08572	7.8
121.06535	2.2
121.10140	7.2
129.06999	1.8
131.08540	9.7
133.10126	7.7
135.08055	3.6
135.11769	2.9
137.09631	2.9
141.07008	2.5
143.08586	8.5
145.10121	17.9
147.11665	13.1
149.09602	3.8
149.13239	2.2
153.07010	2.0
155.08562	10.5
157.10120	11.8
159.11670	7.6
161.09596	3.2
161.13249	2.9
163.11186	4.3
165.06964	17.6
168.05661	2.3
169.10100	8.9
171.11681	10.0
173.13318	2.7
175.11160	7.1
181.06497	2.5
183.07993	9.0
183.11710	3.5
185.13242	7.4
187.11165	7.0
187.14832	7.1
193.06543	2.2
197.13205	17.3
199.14839	34.0
201.16383	1.9
209.37320	1.8
211.07582	11.1
211.14827	9.9
212.08354	2.1
213.16393	3.2
225.16545	2.9
227.17957	2.5
229.15785	2.5
238.17226	3.2
253.19507	62.5
271.09695	25.1
271.17023	17.0
271.20551	100.0
284.57202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2055
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
50.83673	1.0
52.05430	1.1
53.51603	1.0
55.05512	5.5
57.03437	1.4
58.29280	1.1
67.05493	5.9
69.07072	8.2
74.74509	1.1
79.05497	2.5
79.67411	1.2
81.07066	10.4
83.04960	1.5
83.08627	8.0
91.05470	5.3
91.80211	1.1
93.07047	16.8
95.08612	17.5
97.20675	1.2
105.07053	13.3
107.08594	14.5
109.06500	1.4
109.10156	14.8
110.62152	1.2
111.08069	2.6
117.07020	1.6
119.08581	15.8
120.62119	1.3
121.10126	11.7
123.08060	5.7
123.11662	1.8
131.08569	14.3
133.10112	24.9
135.11679	8.3
137.09657	1.8
143.08536	6.6
145.10141	10.1
147.11685	16.4
149.13229	1.7
153.06970	1.3
155.08530	8.4
157.10123	13.4
159.11678	15.7
161.09557	2.0
161.13246	13.4
163.11134	1.4
169.10071	8.0
171.11682	11.8
173.09665	1.8
173.13252	8.5
175.11215	1.5
175.14705	1.6
183.11655	8.3
185.13229	6.6
187.14850	6.9
197.13254	15.7
198.14101	1.5
199.14801	12.4
210.13982	1.3
211.14821	8.0
213.16309	11.0
215.14336	3.0
224.15585	2.8
225.16364	6.2
227.17937	5.9
243.17271	2.4
243.21057	6.0
253.19505	32.6
271.09857	5.0
271.17532	3.9
271.20544	100.0
274.77884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
55.05513	21.4
57.07081	82.4
62.03688	5.0
66.02227	4.6
67.05513	38.9
69.07069	60.6
71.08637	77.8
79.05496	6.8
81.07063	55.4
82.00153	4.6
83.08619	39.3
85.06531	68.0
86.38728	5.6
93.07060	18.7
95.08606	53.0
96.63258	4.9
97.10151	25.6
99.08088	56.7
104.49735	4.8
105.07025	6.2
107.08609	12.2
109.10169	44.1
109.93954	5.1
111.11715	23.0
113.09627	7.5
119.08588	8.5
121.10114	20.3
123.11714	28.1
133.10141	23.5
135.11681	22.6
137.13216	6.6
147.11681	6.5
151.14771	6.0
159.08069	6.0
161.13257	9.1
171.09145	5.0
171.14046	5.6
183.07974	5.3
207.21193	7.6
211.07526	20.3
215.10797	5.9
217.19556	23.4
225.09012	6.7
225.22261	10.2
235.20546	7.8
248.73019	6.3
253.21770	5.1
256.07193	5.5
271.09616	24.2
271.16873	54.7
271.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	16-Hydroxyhexadecensaure
Peak:m/z	Relative Intensity
50.49199	1.1
51.63742	1.2
54.47430	1.1
55.05512	17.4
57.06820	2.0
57.07083	30.7
63.32871	1.4
67.05508	24.4
69.07072	49.0
71.08633	100.0
72.42523	1.4
79.05497	3.1
81.07058	46.4
83.08623	39.4
85.06544	21.9
85.10149	1.4
87.08115	2.0
87.34088	1.7
91.05484	6.9
93.07037	16.1
95.08606	46.6
97.06519	8.5
97.10168	27.3
99.08089	54.8
105.07017	8.1
107.08595	7.9
109.10154	28.0
111.08059	2.3
111.11723	13.8
111.39899	1.5
113.09606	3.2
119.08561	12.4
121.10140	23.4
123.08053	2.3
123.11684	16.7
125.13283	3.5
126.99483	1.7
127.11213	2.9
133.10127	15.2
135.11690	10.3
137.09618	3.4
137.13264	9.1
139.11122	1.8
147.11714	13.4
149.13240	2.5
151.11081	2.0
151.14833	7.0
153.12758	6.4
161.13251	10.4
165.12709	3.8
175.14825	3.2
179.14366	2.7
183.07967	1.7
189.16460	1.9
193.19580	3.0
201.41104	1.5
207.21046	3.8
211.07590	5.8
217.19527	23.2
225.22205	11.6
235.18558	1.8
235.20567	16.1
253.21625	6.2
271.09470	2.9
271.13403	2.0
271.16742	3.1
271.22583	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.92118	6.3
53.46432	6.5
54.62646	7.7
55.05514	41.0
57.07089	54.2
57.07320	7.0
62.71575	7.4
67.05503	47.6
69.07069	80.8
70.87278	7.1
71.04994	8.8
71.08633	86.0
79.05500	14.1
81.07056	75.3
83.08622	59.3
85.06550	14.5
85.10181	100.0
91.05447	7.2
93.07019	17.5
95.08612	97.0
97.10169	59.2
99.08077	58.5
107.08622	32.4
109.10163	54.3
109.60159	7.4
111.11767	27.6
113.09638	78.5
119.08557	10.8
121.10103	32.7
123.11666	34.3
133.10156	18.4
137.13240	10.9
146.55923	8.0
147.11705	17.9
153.12766	8.7
156.95943	9.1
172.50217	8.7
179.14371	9.4
183.08093	9.8
211.07463	34.2
217.19398	17.3
225.22110	8.6
235.20563	38.8
271.09622	38.9
271.13086	14.2
271.16754	17.1
271.22668	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2417
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.78011	1.0
51.88048	1.1
55.05510	3.2
57.07076	1.6
60.30531	1.1
67.05502	6.5
69.07076	11.8
71.04923	1.3
71.08611	1.4
79.05490	3.2
80.33952	1.3
81.07066	22.6
83.08605	3.1
91.05464	2.7
93.07044	9.9
95.08610	25.1
105.07027	11.0
107.08588	15.0
109.10150	25.4
117.06943	1.9
119.08566	12.4
121.10124	14.0
123.11696	11.3
131.08551	5.3
133.10124	13.1
135.11722	13.4
137.13246	1.8
140.78703	1.4
145.10147	9.6
147.11679	16.0
149.13216	15.2
150.49074	1.4
159.11714	11.7
161.13251	17.9
163.14812	7.0
173.13246	6.7
175.14833	13.6
177.16275	3.1
187.14857	11.2
189.16318	13.5
201.16324	12.2
215.17935	16.0
229.19582	4.7
271.05881	1.5
271.17130	2.0
271.24173	100.0
286.71451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.49578	0.9
50.98567	1.1
53.74546	0.9
55.05505	2.4
56.54325	1.2
60.16915	1.0
67.05500	8.2
69.07083	12.0
71.08633	1.3
79.05482	1.4
81.07054	20.7
83.08629	10.5
93.07047	8.5
95.08607	26.6
97.10154	2.1
105.07027	11.4
105.58107	1.4
107.08576	14.5
109.10163	27.1
119.08587	17.8
121.10130	14.3
123.11679	10.5
131.08563	5.6
133.10124	12.0
135.11711	11.9
137.13185	2.6
138.11737	1.5
145.10077	11.5
147.11691	18.4
149.13231	11.9
159.11687	15.1
161.13271	15.4
163.14787	10.9
171.11757	1.7
173.13263	7.6
175.14832	14.8
187.14743	12.1
189.16417	6.1
189.56049	1.6
201.16357	15.4
213.15904	1.4
215.17978	15.8
229.19521	6.6
229.32674	1.4
271.20779	4.5
271.24188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.91385	1.5
55.34996	1.2
57.95048	1.6
60.74512	1.5
62.84630	1.8
67.05514	3.0
69.07063	7.4
81.07057	11.0
83.08598	1.9
85.65320	1.7
87.45801	1.5
91.05458	2.1
93.07054	8.4
95.08611	22.1
97.10149	2.1
98.92631	1.8
105.07033	8.3
107.08585	14.1
109.10168	16.4
119.08566	8.4
121.10133	12.4
123.11717	9.7
131.08582	3.5
133.10121	11.0
135.11711	6.6
145.10103	10.2
147.11732	7.9
149.13243	9.1
155.08522	2.0
159.11696	11.5
161.13220	10.0
163.14813	12.4
165.07010	3.6
173.13229	10.1
173.58614	1.8
175.14775	13.4
176.61641	1.7
177.16382	7.1
183.08022	3.4
186.46423	1.9
187.14844	7.5
189.16379	2.7
201.16356	13.2
201.20805	1.8
211.07539	6.9
211.14919	1.7
215.18008	20.4
254.24359	2.0
268.51257	1.8
271.09570	7.8
271.17249	4.6
271.24185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45969	11.4
54.27048	13.5
55.05513	24.1
57.07077	37.2
69.07065	20.4
75.52074	13.2
79.46805	14.9
168.60951	16.0
229.12387	17.0
259.41583	15.6
261.19989	17.0
271.09723	19.5
271.12531	21.5
271.16821	38.2
271.26389	35.5
271.31900	100.0
291.27060	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
56.68502	1.9
57.07076	11.1
67.05515	9.1
69.07061	15.6
71.08629	4.8
71.66456	2.6
81.07056	11.3
83.08622	28.3
92.21529	2.6
95.08611	14.3
96.55265	2.3
97.06516	2.7
97.10169	18.7
100.02092	2.1
100.07639	4.1
107.08587	4.1
109.10170	10.9
111.08109	5.4
111.11714	3.6
114.09157	9.3
121.10131	5.7
123.11678	4.8
125.09625	2.9
125.13282	3.2
134.67824	2.5
135.11659	9.8
139.11136	2.8
149.13246	10.8
194.48900	2.4
219.21089	11.5
237.22052	9.8
254.24782	45.7
271.27411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17318	0.5
69.06712	0.5
81.04490	0.6
82.05319	0.7
83.06115	0.9
84.18132	0.6
87.04451	0.7
89.02386	0.9
93.04522	1.3
95.06087	5.1
98.42226	0.6
110.07166	100.0
111.05569	10.0
123.43237	0.5
136.67114	0.6
137.57326	0.6
156.07675	32.5
177.77525	0.6
190.06091	1.3
192.07655	0.6
208.07140	7.0
226.08206	21.2
236.06670	0.6
254.07759	4.6
272.08737	32.6
272.11093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43287	0.5
56.35423	0.6
60.33272	0.6
70.06576	1.4
71.01375	0.8
72.02137	0.8
80.55754	0.6
83.06096	1.6
89.02398	1.1
92.05025	2.1
92.32728	0.6
93.04486	1.2
93.51611	0.7
95.06088	5.1
107.06042	0.9
110.07166	100.0
111.05556	9.0
112.08698	0.8
126.06590	3.0
141.04730	1.0
156.07680	29.0
169.04279	4.8
190.06035	1.3
208.07190	5.5
208.09171	0.6
213.08813	0.7
219.86061	0.8
226.08234	25.5
228.11549	3.3
254.07722	6.7
272.08658	34.9
272.11108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43287	0.5
56.35423	0.6
60.33272	0.6
70.06576	1.4
71.01375	0.8
72.02137	0.8
80.55754	0.6
83.06096	1.6
89.02398	1.1
92.05025	2.1
92.32728	0.6
93.04486	1.2
93.51611	0.7
95.06088	5.1
107.06042	0.9
110.07166	100.0
111.05556	9.0
112.08698	0.8
126.06590	3.0
141.04730	1.0
156.07680	29.0
169.04279	4.8
190.06035	1.3
208.07190	5.5
208.09171	0.6
213.08813	0.7
219.86061	0.8
226.08234	25.5
228.11549	3.3
254.07722	6.7
272.08658	34.9
272.11108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64249	0.4
82.99383	0.3
89.03929	0.3
95.41914	0.3
101.38760	0.3
107.04954	28.2
115.05479	0.6
123.04413	2.6
133.06447	0.5
134.05988	0.8
135.04398	0.4
137.05983	0.6
143.04970	2.5
145.06467	2.6
161.05988	7.8
162.05470	3.9
209.09624	1.3
211.71066	0.4
237.09132	2.0
255.10120	10.6
272.09174	100.0
272.12704	15.6
280.39749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	1.7
70.65828	0.3
72.08150	0.5
84.08156	0.4
101.06048	1.2
104.71080	0.3
107.04976	0.6
116.07101	0.7
121.06525	2.7
129.10211	0.7
129.49538	0.4
152.07077	1.6
173.04701	0.4
178.81096	0.3
194.62039	0.3
201.07864	0.4
228.06526	3.8
229.07335	28.4
254.08249	1.4
257.06812	18.3
272.09161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69611	0.3
54.67890	0.3
107.04955	38.5
115.92132	0.5
116.05035	0.6
121.06529	1.5
123.04440	3.7
132.91432	0.4
134.06027	1.0
135.04399	0.4
137.05988	0.5
143.04921	3.7
145.06497	3.2
149.05960	0.6
161.05969	10.4
162.05447	4.0
164.06999	0.5
209.09612	1.9
237.09044	2.2
240.07779	0.6
255.10149	12.8
272.09152	100.0
272.12701	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53934	0.3
61.34097	0.3
72.93927	0.3
73.78728	0.3
93.57401	0.4
101.84430	0.3
107.04955	28.0
116.05013	0.5
123.04462	2.6
128.28679	0.4
134.06032	0.5
135.04440	0.8
143.04906	2.3
145.06503	2.9
149.05936	0.5
161.05971	7.5
162.05487	4.6
209.09666	0.6
237.09109	2.0
255.10114	8.7
272.09161	100.0
272.12698	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69798	0.3
71.18404	0.3
105.96770	0.3
107.04957	25.8
109.15483	0.3
115.05392	0.5
116.05013	0.3
123.04428	2.5
126.55815	0.4
133.06494	0.4
134.06032	1.2
135.04454	0.5
143.04938	2.5
145.06483	1.6
149.05975	0.4
152.01547	0.3
161.05971	6.7
162.05484	5.0
203.31436	0.3
209.09753	0.5
226.06281	0.3
237.09218	0.7
255.10156	8.0
272.09180	100.0
272.12692	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69611	0.3
54.67890	0.3
107.04955	38.5
115.92132	0.5
116.05035	0.6
121.06529	1.5
123.04440	3.7
132.91432	0.4
134.06027	1.0
135.04399	0.4
137.05988	0.5
143.04921	3.7
145.06497	3.2
149.05960	0.6
161.05969	10.4
162.05447	4.0
164.06999	0.5
209.09612	1.9
237.09044	2.2
240.07779	0.6
255.10149	12.8
272.09152	100.0
272.12701	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23589	0.1
51.44205	0.1
52.06553	0.1
107.04965	1.3
135.31616	0.2
154.17055	0.2
158.05942	0.1
161.05956	0.3
161.27661	0.2
183.06810	0.7
194.06093	0.3
198.09117	0.9
211.06284	0.2
223.08820	0.1
224.06956	0.2
226.08588	0.9
242.08157	1.0
244.09679	4.9
254.07831	0.4
255.10132	1.0
257.06799	3.7
270.07520	1.0
272.09158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0917
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
50.02607	0.1
51.80934	0.1
54.74747	0.2
57.84096	0.2
76.43254	0.1
84.07077	0.2
84.10680	0.1
91.05494	0.2
95.05002	0.2
105.04594	0.2
106.06565	0.3
107.04956	31.5
115.05470	0.3
116.04975	0.7
121.06526	0.2
123.04417	3.4
134.06015	1.1
135.04408	1.0
137.05962	1.0
143.04927	2.9
145.06473	2.7
149.06000	0.4
161.05965	8.9
162.05487	4.7
164.07162	0.2
194.07297	0.2
209.09688	1.1
227.06932	0.2
237.09062	2.0
240.07819	0.4
244.09691	0.4
255.10138	8.4
272.09177	100.0
272.12708	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	Deidaclin
Peak:m/z	Relative Intensity
61.02918	1.8
62.01107	0.3
69.03412	3.3
70.06572	1.8
81.03423	0.6
85.02905	9.4
87.04465	1.0
91.03936	0.4
92.05015	2.6
97.02895	3.0
98.42587	0.4
99.04475	0.4
107.06085	0.5
109.02897	1.6
110.06042	100.0
112.05062	1.9
118.85417	0.4
127.03923	2.0
145.04984	1.6
156.06516	0.4
169.04344	0.9
192.10226	0.7
214.71118	0.4
272.08649	1.0
272.11258	8.7
272.15927	1.5
272.62289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.8
62.01107	0.3
69.03412	3.3
70.06572	1.8
81.03423	0.6
85.02905	9.4
87.04465	1.0
91.03936	0.4
92.05015	2.6
97.02895	3.0
98.42587	0.4
99.04475	0.4
107.06085	0.5
109.02897	1.6
110.06042	100.0
112.05062	1.9
118.85417	0.4
127.03923	2.0
145.04984	1.6
156.06516	0.4
169.04344	0.9
192.10226	0.7
214.71118	0.4
272.08649	1.0
272.11258	8.7
272.15927	1.5
272.62289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.128
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
51.15272	0.7
53.96583	0.7
62.63954	0.9
67.80373	0.7
69.03743	0.9
70.06597	1.0
74.77608	0.7
76.95425	1.0
95.04948	1.3
103.83308	0.8
105.04478	0.8
107.04961	100.0
111.01891	0.9
115.05450	4.8
120.39435	0.7
121.06496	6.6
123.04428	10.6
128.74747	1.0
133.06505	1.4
135.04422	1.2
143.04933	19.0
145.06496	8.6
153.42200	0.9
159.25464	1.0
161.05966	18.6
164.07074	6.2
172.91592	0.9
209.09595	4.7
226.06273	0.9
237.09135	7.8
255.10159	41.9
272.09027	3.4
272.12793	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.128
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
52.12517	0.4
57.25467	0.4
66.61248	0.5
67.05543	0.5
91.05500	0.6
92.20991	0.6
96.22243	0.5
107.04960	100.0
108.35239	0.5
115.05445	4.8
117.06998	0.6
119.04944	0.6
121.06512	6.8
123.04428	9.5
130.08684	0.6
133.06509	1.2
135.04399	1.1
140.77110	0.5
143.04936	16.1
145.06496	8.7
149.05939	0.6
152.07068	0.7
161.05971	19.2
161.46982	0.5
164.07066	6.7
181.10127	0.7
209.09654	5.4
211.94759	0.6
226.06332	0.8
237.09109	7.2
255.07469	1.0
255.10156	33.9
257.10452	3.1
272.12805	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1281
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
70.06590	0.8
86.06046	1.4
87.04437	1.2
98.06071	6.6
107.04932	1.8
109.10110	4.2
114.59790	0.7
121.06463	1.6
144.86841	0.9
214.08583	1.1
228.10204	26.1
239.74498	0.9
240.09973	3.4
242.08057	5.9
254.17421	1.2
256.09689	27.0
257.07663	1.6
257.10437	44.2
257.13184	1.4
272.12653	100.0
272.18561	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	0.8
86.06046	1.4
87.04437	1.2
98.06071	6.6
107.04932	1.8
109.10110	4.2
114.59790	0.7
121.06463	1.6
144.86841	0.9
214.08583	1.1
228.10204	26.1
239.74498	0.9
240.09973	3.4
242.08057	5.9
254.17421	1.2
256.09689	27.0
257.07663	1.6
257.10437	44.2
257.13184	1.4
272.12653	100.0
272.18561	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93819	0.5
63.31399	0.5
66.16044	0.6
67.47073	0.6
70.06599	5.4
71.91478	0.7
72.08165	0.8
81.03381	0.6
84.78150	0.5
86.06049	2.5
86.65466	0.5
87.04471	18.5
87.33199	0.5
88.07612	2.3
89.54172	0.5
89.83173	0.5
96.08121	2.2
98.06046	1.3
99.04459	3.2
107.04962	5.6
110.06022	0.6
116.07088	3.1
118.86824	0.6
121.06501	1.1
122.05991	0.6
122.09651	3.7
127.58845	0.6
140.07059	7.4
156.10204	5.8
161.05905	0.9
162.26060	0.6
164.10681	4.3
168.10182	27.9
169.58546	0.6
173.09207	1.2
174.11244	3.6
186.11221	2.8
190.08525	0.7
208.09721	1.2
208.13358	2.9
218.11751	0.9
226.14383	3.6
236.12790	12.0
254.13837	38.8
255.10124	1.1
272.14929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
53.28917	0.5
53.84089	0.5
55.62779	0.5
57.20115	0.5
60.00011	0.6
61.02922	0.9
69.03436	0.7
69.52519	0.6
70.06593	7.7
71.04975	1.5
72.08162	0.8
79.05464	0.6
81.03430	1.2
85.02893	2.6
86.06059	4.3
87.04466	14.9
88.07607	3.7
94.06519	1.0
96.08132	1.3
97.02913	0.8
98.06056	2.6
99.04454	9.8
106.01714	0.7
106.06581	0.6
107.04936	5.9
110.06047	13.2
112.07581	0.7
116.07112	1.2
121.06481	1.4
122.09698	2.2
123.04474	1.2
124.07520	0.7
128.10657	4.8
134.05997	1.2
140.07050	3.7
145.06474	0.7
152.07060	1.0
154.08546	1.0
156.10179	11.7
161.05946	0.8
164.10710	3.0
168.10204	14.9
174.11302	6.3
174.12660	1.0
201.12317	0.9
208.09763	0.6
208.13312	26.0
226.08565	0.8
226.10880	1.4
226.14360	37.1
228.10188	1.0
236.12825	13.4
254.10071	1.1
254.10918	1.2
254.13841	35.2
255.10223	1.4
272.09058	21.2
272.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2217
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
50.58435	0.8
55.05520	1.8
57.07072	7.1
59.81610	1.0
67.05502	6.8
67.60822	0.9
68.84487	1.0
69.07068	15.8
69.64845	0.9
69.78676	1.0
71.04987	1.2
71.08617	5.9
74.79278	0.9
79.05497	2.0
81.07066	10.3
83.08617	11.4
85.10167	1.9
93.07048	5.6
94.20046	1.2
95.08604	17.9
96.08128	1.3
97.06525	1.6
97.10176	6.7
100.07623	2.3
107.08610	2.6
109.10173	14.6
110.09662	2.7
111.08057	2.0
111.11726	1.6
114.09167	2.4
121.10151	9.1
123.11720	1.8
124.11237	1.8
125.09647	1.6
128.10745	2.2
129.33502	0.9
131.90862	0.9
135.11707	13.0
138.12831	2.5
139.11130	1.1
140.03738	1.0
147.40097	1.2
148.20122	1.1
148.59096	1.3
149.13255	2.4
152.14377	7.7
166.15918	1.8
185.28474	1.1
191.17926	5.6
208.20633	15.4
209.18947	2.3
226.21651	2.6
236.20157	4.7
254.21130	100.0
272.17032	1.3
273.20636	1.7
290.40836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2583
Annotation	142-58-5
Peak:m/z	Relative Intensity
54.34609	8.3
57.07070	9.0
58.52699	8.6
71.08623	13.0
93.46790	8.9
131.68053	9.7
149.58693	9.6
254.24838	17.9
272.16220	10.5
272.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2581
Annotation	142-58-5
Peak:m/z	Relative Intensity
55.05520	17.7
56.75743	9.2
57.07077	16.0
69.07063	58.6
71.08636	12.8
72.72107	8.8
76.28777	8.2
77.45620	8.1
83.08604	36.8
86.56156	8.4
93.92006	8.9
97.10181	20.1
99.83072	11.0
135.11722	10.5
159.02440	9.2
209.37071	9.2
219.21103	9.5
226.63026	9.7
272.25827	100.0
272.29303	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
60.37318	1.5
66.53601	1.6
69.03436	4.0
69.70348	1.8
73.02899	1.8
81.03436	2.7
84.08156	2.1
85.01374	1.6
85.02907	8.5
97.02884	3.8
110.06009	16.3
111.06374	11.7
113.00875	2.7
127.03952	3.1
131.01924	29.1
143.01901	6.9
145.03467	33.0
145.04681	2.4
149.02942	9.6
153.03899	1.6
155.01936	3.2
157.03477	10.9
161.02960	3.5
163.04512	22.2
171.05035	11.5
173.01457	4.3
173.02979	18.0
174.99118	11.4
175.04509	68.9
181.03548	3.6
183.05098	13.3
185.03058	2.7
187.04535	4.2
189.06093	7.6
191.02295	1.9
191.04077	2.6
192.05379	2.3
193.00215	3.3
193.05565	3.6
199.04523	73.3
201.06093	100.0
203.04005	2.7
211.04532	58.0
213.06073	9.6
215.04094	2.5
217.05608	37.1
219.07191	4.2
219.46722	1.8
225.06079	8.5
227.03992	7.8
229.05574	73.1
231.07111	12.7
237.08815	2.6
243.03452	7.1
243.07184	26.4
245.04961	4.0
255.03540	24.8
255.07112	14.1
255.09560	2.5
263.06195	3.9
273.04688	56.9
273.08075	7.3
273.11731	4.0
273.14926	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
Peak:m/z	Relative Intensity
56.39798	1.9
64.68060	1.8
79.10480	1.6
80.22720	1.8
82.65340	1.8
97.02846	1.9
109.50191	1.8
112.77938	1.9
129.06995	8.6
142.07791	3.7
153.06949	2.0
157.06480	16.4
165.07018	3.5
167.08498	3.2
169.06465	3.9
170.07260	4.5
171.08081	2.6
173.05919	2.4
181.06458	9.4
183.08057	11.6
184.05096	3.1
184.08881	10.0
185.05974	12.5
185.09622	10.2
195.08032	33.6
197.05980	13.5
198.06767	47.6
199.07509	3.5
209.05963	2.3
211.03996	3.7
211.07417	16.2
212.04727	11.8
212.08315	10.2
213.05493	4.7
213.09081	34.1
214.09885	8.3
215.07053	8.2
216.07838	2.1
225.05537	7.4
226.06241	46.6
227.07071	17.6
230.05708	9.0
230.09399	8.8
240.04245	9.9
240.07834	7.8
241.08578	55.9
242.09378	29.0
243.06538	26.4
245.08070	12.9
245.11723	14.2
255.10068	4.4
258.05225	10.3
258.08859	38.9
273.07617	33.6
273.11191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
64.04211	2.5
73.51639	2.2
87.50452	2.4
93.07007	2.8
115.05436	3.1
119.43800	2.4
142.07774	2.6
148.36009	2.9
167.08531	4.2
169.06544	9.1
170.07230	14.7
171.07996	3.2
181.06456	17.5
183.08044	21.3
184.05278	3.1
184.08836	15.8
185.09619	16.5
195.08080	58.5
195.29936	2.6
197.05952	28.1
198.06757	79.5
199.07536	4.6
209.05894	4.1
211.03975	3.9
211.07561	13.9
212.08492	3.2
213.09087	59.5
215.07082	5.9
223.07498	11.7
225.05428	5.9
226.06248	84.1
227.07050	15.1
229.08636	3.6
241.08559	100.0
242.09378	5.4
243.06520	42.7
245.11658	5.3
255.10245	6.2
257.08231	3.0
258.08859	77.5
273.08105	5.1
273.11179	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57655	0.4
55.05527	0.6
69.02097	0.5
70.34172	0.5
86.09668	0.6
93.07052	3.1
95.04951	0.8
99.31995	0.5
103.05464	1.0
108.04477	2.0
110.06025	3.0
121.06505	100.0
135.05577	4.0
149.06017	0.7
181.06502	0.8
228.10178	36.3
230.11766	18.9
241.08633	1.0
255.11272	8.7
256.09641	22.3
256.13968	0.7
273.09409	1.2
273.12402	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.5
57.03441	28.1
57.44211	2.7
57.89822	2.8
67.05515	21.1
69.07072	65.3
71.04956	3.6
73.96317	2.9
77.49448	2.9
79.05496	15.5
81.07066	21.7
83.04967	5.5
83.08617	15.7
93.07034	26.9
95.08601	16.7
96.56372	2.8
97.06555	29.2
101.06030	4.1
105.07034	5.8
107.08595	36.3
109.10154	12.3
111.08078	6.3
111.11716	13.2
121.10114	5.5
135.11694	89.7
145.10075	5.0
149.05966	7.3
153.06969	16.1
153.12753	44.8
163.11235	7.3
167.08600	3.2
181.06480	29.1
181.12097	3.7
198.06729	4.2
199.13147	4.0
208.65643	3.4
209.05984	4.1
213.09081	28.0
217.14316	72.9
241.08537	15.8
273.11282	25.1
273.16922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45029	0.5
67.05505	0.8
67.82755	0.4
69.07042	0.6
71.04457	0.4
71.06101	2.2
76.13747	0.5
79.05526	0.5
80.05016	1.1
81.03411	3.2
81.04539	2.7
81.07078	1.6
83.04990	0.8
83.08620	1.9
83.27968	0.4
85.02917	0.7
91.05501	0.8
93.07057	1.7
95.04994	0.5
95.06108	0.7
95.08618	0.6
99.05590	1.8
105.07011	0.6
107.06033	0.5
107.08582	0.7
109.06622	0.6
111.08126	0.5
119.08575	1.0
121.06499	0.6
121.10146	0.8
126.73019	0.4
131.08575	0.5
133.10123	0.7
138.12813	0.6
147.11667	1.9
149.09657	1.0
150.12775	3.1
157.10146	2.0
164.14307	0.6
166.12222	1.0
170.95497	0.5
175.11229	1.8
176.10719	0.5
182.15352	5.1
184.13307	3.0
191.15417	3.2
192.13843	2.9
193.12082	3.4
194.11734	3.4
195.09114	0.6
200.16403	1.8
210.14891	7.7
211.13347	4.3
219.14877	11.6
220.13268	0.5
227.17662	0.6
228.15860	0.7
229.15535	0.6
237.15984	7.6
255.17035	13.7
257.72473	0.4
273.18082	100.0
277.06842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.68759	1.6
55.01882	3.2
55.05511	12.6
65.10802	1.8
67.05505	11.0
69.07013	2.1
78.45531	2.1
79.05493	10.4
81.07061	16.5
83.08633	3.9
91.05473	18.4
93.07050	9.6
95.08585	8.5
97.10189	3.2
105.07027	12.9
107.08582	11.1
109.06522	4.0
109.10145	3.2
116.87050	2.0
117.06994	11.6
119.08569	29.4
121.06524	3.0
121.10143	3.1
123.08053	2.9
129.06981	4.5
131.08557	27.4
133.10182	8.4
135.08054	3.5
139.11913	2.1
143.08559	3.8
145.10114	29.7
147.08043	15.6
150.78186	2.2
157.10117	10.9
159.11702	9.1
161.09616	10.1
163.11125	3.0
171.11713	3.8
173.13306	3.6
175.11130	3.3
199.11201	3.1
201.69264	2.3
220.39113	2.8
255.17348	11.2
273.12350	2.5
273.18460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.35620	1.6
55.05510	8.0
57.03444	4.6
67.05506	12.9
69.07078	5.3
71.04966	2.0
79.05493	8.8
80.78042	2.1
81.07062	12.6
83.08631	2.7
91.05478	14.5
93.07023	10.7
95.08611	8.7
105.07050	17.7
107.08615	4.9
109.06535	3.5
109.10146	3.0
111.47882	2.2
117.07035	21.9
119.08563	20.3
129.07014	9.1
131.08574	37.1
133.10110	8.4
135.08049	3.5
141.06992	2.7
143.08592	14.0
145.10130	41.2
147.08069	18.1
147.11725	2.5
155.08629	2.1
157.10086	12.5
159.08034	3.8
159.11687	14.4
161.09650	9.7
161.13113	2.3
163.03957	2.3
171.11688	9.4
172.25154	2.6
175.11086	2.9
176.04628	2.8
177.05463	13.7
193.53075	5.3
195.11568	3.0
211.14658	2.6
217.15878	3.6
222.03001	2.6
224.41414	2.4
227.17891	3.4
229.54164	12.6
231.03534	4.1
237.16447	3.4
238.54640	14.5
241.70638	2.2
255.17345	10.9
273.18518	100.0
282.02621	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Estradiol-17alpha
Peak:m/z	Relative Intensity
53.27368	1.4
55.01875	3.3
55.05511	16.1
55.05730	1.6
57.03428	1.6
63.48206	1.4
67.05511	12.3
69.07060	7.8
69.86982	1.9
79.05478	12.5
81.07054	10.5
81.27966	1.7
83.04966	3.2
83.08618	3.0
91.05473	18.7
93.07037	16.0
95.08588	14.0
100.21650	1.9
105.07039	20.4
107.04959	4.1
107.08633	14.4
109.06504	2.0
109.10155	9.2
117.06973	14.1
119.08575	18.7
121.06484	2.8
121.10115	3.3
123.08055	2.9
129.07037	7.0
129.59456	1.7
131.08563	14.1
133.06494	9.9
133.10162	20.7
134.51089	1.7
135.08041	3.7
135.11649	1.8
138.97659	1.7
143.08554	11.7
145.10098	18.9
147.08076	17.8
147.11674	4.3
149.09622	4.2
157.10110	8.2
159.11690	7.8
161.09615	42.7
161.13223	4.4
163.11171	2.8
169.10136	2.1
171.11685	3.2
173.09584	2.5
173.13257	2.7
175.11182	8.1
185.13257	2.3
210.57661	2.1
213.12842	2.3
213.24033	2.3
227.17987	3.0
237.16393	3.5
245.18945	16.9
255.17278	7.8
255.25136	11.7
273.18481	100.0
273.26160	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Flexibilene
Peak:m/z	Relative Intensity
57.07077	2.3
67.05498	13.5
69.07064	2.8
79.05492	9.9
80.68535	2.1
81.07057	17.5
83.08617	4.5
91.05491	11.8
93.07039	13.0
95.08615	18.7
97.10161	3.2
105.07038	14.3
105.07755	2.3
107.08577	12.6
109.10155	5.9
109.77620	2.3
112.05705	3.4
119.08586	19.9
121.10137	22.2
123.11746	2.9
133.10132	26.9
135.11690	4.6
145.10178	3.3
145.30949	2.3
147.11691	17.8
149.13310	3.9
154.27289	2.1
161.13254	26.8
175.14803	12.6
177.16359	3.2
191.17966	4.1
212.12421	2.5
273.18597	4.9
273.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	Flexibilene
Peak:m/z	Relative Intensity
50.00015	1.4
53.35154	1.4
55.05519	3.8
57.07070	8.8
60.59398	1.6
64.09254	1.4
67.05508	17.2
69.07043	6.9
70.75253	1.3
70.91138	1.5
71.08628	3.4
75.46421	1.4
75.97326	1.4
79.05502	14.7
81.07062	17.7
83.08599	2.6
83.98324	1.6
91.05479	19.5
93.07051	21.9
95.08617	22.3
97.10197	3.5
105.07045	16.8
107.08572	14.7
109.10152	11.4
119.08562	24.7
121.10132	20.2
123.11718	3.0
130.30721	1.8
133.10112	27.4
135.11731	12.4
139.22055	1.6
147.11681	22.4
149.13292	2.2
161.13277	23.9
175.14828	14.4
177.16367	3.9
177.95959	1.7
180.08018	1.9
189.16331	1.9
191.17949	3.7
203.17899	2.4
240.41068	1.6
255.21133	2.4
265.77225	1.6
273.25763	100.0
273.29947	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05527	7.3
56.45815	0.8
57.07088	8.0
61.70062	0.8
67.05515	17.5
69.07076	7.1
71.08624	4.5
79.05494	12.2
79.58707	0.8
81.06619	1.2
81.07063	21.3
83.08630	7.4
83.25350	0.9
86.09573	1.0
90.91543	0.9
91.05482	20.8
93.07047	22.1
95.08611	26.0
96.98798	0.8
97.10183	5.1
105.03333	1.0
105.07056	18.2
107.08597	18.2
109.10155	13.5
117.06968	0.9
119.08595	23.4
121.10146	27.3
123.11718	1.9
131.08543	4.0
133.10141	31.3
135.11717	13.6
138.71455	1.0
143.08710	1.1
147.11699	26.5
149.13281	4.2
157.10147	1.9
161.13257	23.5
163.14818	2.3
165.16331	1.1
175.14816	17.2
177.16362	5.4
185.09642	1.3
189.16405	6.2
191.17984	8.3
203.17978	2.3
205.19421	1.5
217.19482	1.4
227.10545	1.5
227.18036	1.4
240.15167	4.5
255.17426	45.4
273.11459	1.5
273.18539	42.0
273.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05502	3.2
57.07080	8.1
58.44118	0.7
67.05515	16.5
69.07087	7.3
71.08624	4.0
79.05496	11.0
80.31567	0.9
81.07069	20.7
83.08612	6.8
90.67569	0.8
90.93999	0.9
91.05475	20.4
92.20965	1.0
93.07045	23.2
94.76831	0.8
95.08611	23.3
97.10159	3.7
105.07037	14.7
107.08601	15.0
109.10167	14.2
116.19624	0.9
119.08587	22.8
121.10147	22.3
123.11691	4.8
130.82915	0.8
133.09196	1.6
133.10132	30.2
135.11714	14.1
137.13295	1.1
145.10086	0.9
147.11682	24.1
149.13277	6.9
151.14787	1.2
161.13249	25.7
163.14827	1.5
175.13498	1.1
175.14862	15.1
177.16473	5.4
189.16365	5.4
191.17981	7.4
203.18019	1.4
205.19620	1.1
217.19528	1.2
225.98845	0.8
231.21046	1.2
273.25760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	beta-Springene
Peak:m/z	Relative Intensity
50.28571	1.3
53.79845	1.3
55.05508	6.0
57.07074	7.6
67.05509	22.0
69.07056	8.1
69.24379	1.7
71.08637	2.5
79.05494	13.1
80.62581	1.7
81.07060	18.9
83.08604	7.2
91.05483	19.4
93.07042	17.2
95.08604	22.4
105.07039	18.8
107.08604	15.2
108.68250	1.6
109.10155	15.0
117.07023	2.5
119.08578	27.8
121.10135	20.9
123.11675	6.7
131.08557	9.5
133.10135	28.3
135.08064	1.9
135.11697	14.7
143.08574	3.0
145.10114	3.1
146.22278	1.6
147.11703	25.0
149.13287	2.5
157.10118	2.0
159.11668	2.6
161.13226	24.1
162.85413	1.6
163.14771	3.1
175.11053	1.8
175.14825	20.7
177.16408	3.9
189.16386	4.0
191.17984	6.7
255.17337	3.2
273.18546	23.1
273.25742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.34407	5.8
57.07076	6.8
65.59584	4.8
67.05509	10.4
69.07061	26.0
76.47672	5.7
81.07074	54.9
81.07481	6.0
83.08608	9.5
91.05453	5.3
93.07016	23.1
95.08611	60.1
105.07053	10.9
107.08600	32.9
109.10162	49.3
119.08583	8.7
121.10112	41.8
123.11707	31.1
131.08611	6.6
133.10144	21.0
135.11707	26.8
137.13277	7.5
139.01648	5.7
145.10091	5.7
147.11693	11.0
149.13246	40.8
161.13225	26.1
163.14772	27.5
171.09344	5.4
175.14732	7.6
177.16315	8.0
189.16359	12.1
191.17899	6.6
196.03732	5.3
203.17975	9.5
209.35515	7.1
217.19501	11.7
273.18457	25.3
273.25751	100.0
293.88614	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05500	1.1
55.01870	1.5
56.67270	1.2
59.29189	1.0
63.72010	1.1
64.17411	1.2
68.05025	2.3
69.03437	1.6
69.15245	1.3
70.06585	11.1
71.04993	1.6
81.03413	3.1
84.04509	33.1
85.02863	1.2
97.02892	98.5
98.03533	5.0
109.02888	19.3
114.05528	20.3
116.07103	2.7
125.07182	1.5
127.03937	2.9
130.04999	100.0
136.07588	6.5
142.05020	20.6
154.04988	14.2
158.05594	3.0
162.55891	1.4
164.07079	12.8
180.06499	2.4
192.06567	24.2
210.07588	2.5
214.08266	7.1
216.83882	1.5
226.07100	19.1
238.07111	56.8
256.08115	23.0
256.12845	6.1
274.09906	13.4
274.12827	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20647	1.0
59.82814	1.2
68.05028	3.6
72.23550	1.1
81.03433	7.0
84.04511	41.4
85.02917	14.2
86.09726	11.5
87.04472	2.2
91.80375	1.4
93.87388	1.4
96.04494	3.2
97.02898	100.0
98.06026	1.4
99.04484	1.8
99.51731	1.3
101.36083	1.4
107.97637	1.5
109.02885	13.7
112.07584	2.8
114.05531	55.8
126.05511	1.4
127.01281	1.6
127.03930	11.2
130.05006	73.3
135.04434	1.6
136.07469	1.4
138.05540	1.6
140.07063	10.1
142.05002	66.3
154.04985	6.9
157.13329	3.3
164.07048	19.2
168.06613	1.9
180.06599	1.9
184.06047	5.7
185.04289	1.5
185.12904	2.2
188.07040	3.1
192.06557	17.7
214.07065	3.1
226.07138	17.9
238.07068	34.2
245.65768	1.6
256.08133	27.6
274.06970	2.0
274.10565	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12651	1.1
56.13380	1.1
56.95662	1.1
58.49849	1.3
69.03410	1.5
70.06564	1.4
73.02909	2.5
74.08352	1.4
80.35428	1.2
85.02885	6.6
95.54563	1.3
97.02867	1.4
127.03901	2.4
140.06900	1.3
141.14922	1.7
145.01630	3.2
171.04169	1.8
175.02621	1.9
187.03673	69.6
187.36247	1.5
205.03719	1.6
215.03271	7.7
233.05017	2.3
274.10474	100.0
274.12827	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37148	1.1
71.48409	1.3
85.02934	1.8
89.67604	1.2
92.05637	1.2
114.49575	1.5
114.75620	1.2
187.03682	68.9
215.03130	6.7
274.10507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.105
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92599	1.2
62.97467	1.3
64.09520	1.5
64.38463	1.4
70.06586	2.5
79.62176	1.4
84.65824	1.4
85.02907	2.5
85.78468	1.3
92.20982	2.0
148.01468	1.6
181.05260	1.6
187.03683	76.5
190.09886	2.7
204.45432	1.9
215.03294	1.7
260.56137	1.6
274.07910	4.1
274.10489	100.0
274.18542	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1071
Annotation	L-thyronine
Peak:m/z	Relative Intensity
73.04197	0.1
88.99564	0.1
91.05492	2.8
93.07047	6.6
95.04964	1.7
103.05476	3.2
105.04525	0.3
121.06507	100.0
187.78474	0.1
274.10815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41761	0.5
51.60685	0.4
51.68449	0.5
55.47546	0.4
57.07075	3.7
59.44504	0.4
65.09600	0.5
70.06597	4.3
71.08630	2.5
88.07620	11.7
91.56653	0.4
102.09180	3.6
106.08655	9.1
212.23642	7.5
228.48827	0.6
228.86967	0.6
233.41579	0.5
248.29355	0.7
256.26315	8.5
274.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	4.5
62.06094	0.5
70.06584	6.1
71.08612	2.2
88.07623	13.3
102.09181	4.9
106.08672	9.7
113.82791	0.5
179.88011	0.6
230.24800	0.7
256.26266	8.4
274.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2736
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.60330	0.4
57.07080	3.7
60.63858	0.4
68.06647	0.4
70.06592	5.7
70.43752	0.4
71.08623	2.6
75.99662	0.4
85.10172	0.8
88.07123	0.8
88.07629	13.4
102.09173	4.3
106.08668	11.4
135.56917	0.4
230.24715	0.9
256.26358	9.2
274.27377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55538	0.3
57.07085	4.4
60.11471	0.3
62.06103	0.4
67.05704	0.4
70.06591	6.2
71.08619	2.4
82.79771	0.4
85.10175	0.7
88.07117	0.8
88.07629	14.7
94.03347	0.4
100.49326	0.4
102.09167	3.4
104.29530	0.4
106.08662	10.1
140.24539	0.4
230.24815	0.7
231.65993	0.4
256.26300	9.4
274.27386	100.0
298.35977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24837	0.5
57.07090	5.0
70.06597	5.0
71.08624	3.1
73.30999	0.6
88.07645	13.0
102.09200	4.9
106.08649	8.5
117.11932	0.7
135.97888	0.6
145.82330	0.7
147.82237	0.7
212.23727	12.5
256.26321	8.9
270.45374	0.8
274.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98420	0.6
56.96562	3.6
85.29315	0.7
98.97579	100.0
101.00888	1.5
104.28420	0.7
109.42432	0.7
116.98611	49.8
119.01929	7.1
121.02862	3.7
134.99638	12.8
137.02986	1.4
147.16139	0.9
161.02965	0.9
169.03481	4.6
171.04900	1.2
172.94333	3.4
185.03023	0.8
187.04565	3.5
190.95409	3.4
197.02896	1.4
205.85852	0.7
211.04509	1.4
214.95337	4.4
215.03984	1.0
221.02953	1.7
226.95572	0.8
232.96375	8.8
247.06454	0.9
250.97324	6.3
256.96402	14.3
257.05042	4.5
274.97464	69.6
275.06122	12.6
292.98520	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0525
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
53.48782	7.3
57.74021	8.8
60.00303	9.1
61.97355	7.8
62.95144	8.4
64.69453	8.4
80.87063	8.5
82.27845	8.8
92.20910	9.2
98.20187	10.1
113.07129	12.1
119.01853	11.1
124.82233	10.0
145.03412	11.0
169.03487	16.0
170.01341	10.4
187.04517	10.8
200.57111	11.0
275.05606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26423	2.0
54.67809	1.9
68.87309	2.3
69.41219	2.3
70.09937	2.4
72.29967	2.4
77.04533	2.2
77.85511	2.6
77.90356	2.2
79.20415	2.0
80.06699	2.2
85.02847	3.2
88.53901	2.6
93.03342	3.1
95.04928	10.8
95.06108	2.8
101.00896	16.0
113.07124	33.4
118.09610	2.5
119.01916	83.1
121.02868	34.9
137.02983	9.2
139.03928	4.1
159.05020	11.6
169.03493	19.6
171.04987	4.0
172.06158	4.6
173.02933	3.2
180.06584	4.2
185.03001	4.1
187.04520	25.2
195.05064	13.2
197.02968	17.9
198.07671	3.6
203.01888	5.1
211.04517	15.6
213.06100	13.8
215.04004	11.8
215.75562	2.7
221.02948	33.1
229.05565	6.0
239.03864	3.6
257.05017	38.2
275.06094	100.0
275.12711	13.3
293.07117	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26423	2.0
54.67809	1.9
68.87309	2.3
69.41219	2.3
70.09937	2.4
72.29967	2.4
77.04533	2.2
77.85511	2.6
77.90356	2.2
79.20415	2.0
80.06699	2.2
85.02847	3.2
88.53901	2.6
93.03342	3.1
95.04928	10.8
95.06108	2.8
101.00896	16.0
113.07124	33.4
118.09610	2.5
119.01916	83.1
121.02868	34.9
137.02983	9.2
139.03928	4.1
159.05020	11.6
169.03493	19.6
171.04987	4.0
172.06158	4.6
173.02933	3.2
180.06584	4.2
185.03001	4.1
187.04520	25.2
195.05064	13.2
197.02968	17.9
198.07671	3.6
203.01888	5.1
211.04517	15.6
213.06100	13.8
215.04004	11.8
215.75562	2.7
221.02948	33.1
229.05565	6.0
239.03864	3.6
257.05017	38.2
275.06094	100.0
275.12711	13.3
293.07117	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0608
Annotation	Dimethylmyleran
Peak:m/z	Relative Intensity
51.10339	2.4
69.38091	2.3
74.39686	2.5
83.29985	2.4
101.00874	15.2
119.01931	39.1
121.02849	5.5
122.69301	2.6
127.02428	4.1
131.19310	2.7
137.02919	6.0
145.03444	19.0
157.03558	4.1
166.56485	2.6
169.03453	74.0
171.05092	20.5
181.54579	2.8
182.20389	2.7
185.02922	22.4
187.04550	58.5
188.04027	4.3
195.05060	3.8
197.02956	27.7
203.03914	3.5
205.05539	6.7
215.03996	32.2
221.02980	6.2
229.05550	26.2
239.03975	4.6
247.06606	18.7
257.05042	10.9
275.06100	100.0
275.10892	13.5
293.07248	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01883	0.9
56.76353	0.5
57.03447	7.4
57.03687	0.9
59.08921	0.7
61.02927	3.2
65.88369	0.5
69.03436	21.2
71.01359	0.7
71.04980	3.1
73.02911	3.8
81.03416	10.1
84.08135	3.7
85.02905	100.0
87.04472	0.8
88.07586	0.6
91.03902	1.7
97.02895	34.6
99.04454	7.0
103.03959	0.8
108.82632	0.7
109.02894	7.3
113.02363	78.1
113.07050	0.5
127.03912	26.3
131.03401	5.2
133.37476	0.6
137.05978	0.7
139.82880	0.6
143.98009	0.6
145.04967	11.8
160.70979	0.6
231.11226	0.8
244.09276	0.8
257.06503	3.3
275.07022	2.4
275.10934	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05509	7.8
57.03418	1.4
57.12196	1.4
65.90202	1.2
67.05501	13.5
68.34695	1.4
69.03439	1.8
69.07056	8.8
79.05490	7.6
81.07066	15.4
83.08635	3.1
86.45074	1.3
91.05489	22.5
93.07029	10.5
95.04915	1.9
95.08618	14.3
105.07032	36.0
107.04957	2.6
107.08591	11.1
109.10138	3.2
111.08096	2.2
117.07005	6.6
119.08586	30.0
121.06471	1.8
121.10117	7.8
125.09637	3.4
131.08562	8.0
133.10136	35.4
135.11722	5.9
137.09628	1.8
140.86461	1.4
143.08595	1.7
145.10075	13.0
147.11685	25.5
149.09615	6.6
157.10141	6.2
159.11690	11.8
161.09554	1.6
161.13239	7.7
163.11142	3.0
163.81517	1.6
169.10214	1.8
171.11630	1.6
171.76616	1.4
173.13245	3.6
177.12816	1.5
197.13141	1.6
239.17975	2.9
257.18948	8.7
275.20032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05518	10.7
67.05505	9.9
69.07063	9.6
71.04990	1.9
79.05506	9.9
80.77485	1.4
81.07068	14.8
83.04995	1.7
83.08629	6.3
91.05489	21.8
93.07025	15.3
95.08596	16.2
97.10131	1.3
105.07038	39.8
107.04934	3.2
107.08591	15.4
109.06544	2.2
109.10189	5.4
117.07007	5.8
119.08585	28.5
121.06538	2.2
121.10150	7.4
131.08568	10.3
133.10149	32.5
135.08067	1.6
135.11731	2.7
137.09543	1.4
145.10086	11.5
147.11674	32.1
149.09596	5.8
149.13287	1.7
157.56358	1.6
159.11641	9.7
161.13252	6.9
163.11194	2.5
171.11649	2.7
173.13304	3.0
183.11658	2.1
185.13173	1.8
218.05840	1.4
218.50520	1.4
239.17955	1.6
247.20386	1.6
257.19113	6.5
275.17032	3.5
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.79166	1.4
55.05519	12.1
67.05499	10.7
69.07063	9.2
69.50593	1.8
79.05496	7.1
81.07067	16.2
83.08614	7.9
91.05478	30.6
93.07038	14.2
95.08586	4.0
97.10181	3.3
103.53949	1.9
105.07036	55.6
107.08595	7.2
109.10220	2.4
117.07008	2.7
119.08591	36.8
121.10140	2.2
131.08603	15.1
133.10130	69.9
145.10135	23.8
147.11685	32.9
157.10101	2.1
159.11710	12.7
161.09708	1.8
161.13252	8.8
162.38727	1.8
169.10098	1.6
171.11723	3.6
173.13200	3.3
183.11676	3.0
231.67348	1.8
257.18994	11.7
275.16983	3.2
275.20047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05511	7.5
57.03432	1.5
67.05505	8.3
69.07058	5.7
71.04984	1.4
75.66793	1.3
79.05486	9.0
81.03340	1.5
81.07066	14.7
83.04978	1.5
83.08614	3.3
83.82432	1.2
85.06570	1.6
91.05481	25.7
93.07048	8.4
95.08602	8.0
105.07043	48.2
107.04919	2.2
107.08609	8.1
109.10170	2.6
117.07001	6.5
119.08575	36.1
121.10121	6.0
131.08549	8.6
133.09193	2.5
133.10129	43.4
135.11726	1.9
143.08591	1.7
145.10114	15.5
147.11682	28.7
156.53584	1.4
159.11697	11.7
161.13258	6.0
169.10202	2.5
171.11647	1.7
173.13239	2.6
183.11771	1.6
185.13136	1.6
229.19531	2.0
257.19043	9.9
275.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01854	1.7
55.05508	9.2
57.03440	1.6
62.27386	1.2
63.84941	1.3
67.05507	11.2
69.07069	10.5
79.05500	11.8
81.07053	21.9
82.41071	1.3
83.08608	2.6
91.05483	30.9
93.07032	19.2
95.04978	1.5
95.08595	9.4
97.06534	1.7
105.07033	47.8
107.04940	6.1
107.08604	11.1
109.06525	2.3
109.10148	5.5
117.07001	7.6
119.08578	31.6
119.32043	1.3
121.10113	3.1
123.08022	1.7
127.25543	1.3
129.07076	1.9
131.08575	10.9
133.10124	42.4
135.08005	2.4
135.11707	2.9
145.10112	11.8
147.11682	23.4
149.09637	3.0
155.08653	1.4
157.10158	2.2
159.11655	9.6
161.13271	2.8
171.11621	2.0
173.13223	5.5
177.12671	1.6
185.13257	1.7
201.16457	1.4
219.17474	15.2
229.19658	1.6
257.18988	7.8
275.20035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01860	1.3
55.05507	8.2
57.07081	1.6
67.05521	9.4
69.07058	5.9
79.05504	11.7
81.07072	15.5
83.05010	1.7
83.08613	2.9
85.06518	1.3
86.74725	1.1
89.02415	1.2
91.05482	18.0
93.07056	13.0
95.04971	1.7
95.08616	9.8
97.06551	1.7
105.06412	2.0
105.07043	29.2
107.04942	2.7
107.08580	13.5
109.06510	2.7
109.10153	5.3
117.07011	5.3
119.08581	28.2
121.06521	2.0
121.10153	7.1
123.08062	1.4
131.08589	10.2
131.96484	1.2
133.10135	27.4
135.08086	1.2
135.11646	2.8
137.09657	1.2
145.10156	8.8
147.11705	22.1
149.09634	6.5
157.10156	1.5
159.11743	4.8
161.13255	2.6
163.11107	4.3
171.11746	2.0
173.13269	2.5
193.95631	1.4
247.20438	1.6
257.19037	9.8
259.33411	1.4
275.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.27369	0.8
55.05524	8.1
57.03421	1.2
67.05517	8.5
69.07074	10.5
71.04980	0.8
79.05513	7.5
81.07063	15.6
83.08659	7.0
85.06529	1.1
91.04947	1.8
91.05483	28.2
93.07032	11.4
95.04994	1.2
95.08612	10.7
97.06541	1.0
97.10161	1.6
103.06554	0.9
105.07040	48.2
107.04951	4.1
107.08588	9.1
109.06516	1.6
109.10159	5.9
117.07016	7.6
119.08575	35.0
121.06454	1.1
121.10143	6.4
123.08095	1.1
129.07043	1.6
131.08580	10.8
133.10126	39.3
135.08066	1.3
135.11711	1.9
141.07062	1.0
141.90099	1.0
145.10139	17.5
147.11684	30.2
149.09669	2.3
155.08522	1.2
157.10072	1.8
159.11670	11.8
161.13246	6.5
163.11143	1.3
169.10071	1.4
171.11667	3.4
173.13275	2.0
175.14755	1.1
183.11635	1.5
185.13231	1.5
187.11250	1.3
197.13332	1.4
218.15988	0.9
239.17926	3.8
257.18976	8.6
275.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.04491	0.9
55.05282	0.9
55.05518	9.0
55.05745	1.0
55.28475	0.8
57.03420	0.9
58.04724	0.9
61.71523	0.9
67.05182	1.1
67.05502	10.4
69.07062	8.3
71.04995	1.4
72.22902	1.0
72.89137	1.1
75.24021	1.0
79.05482	12.5
81.07051	15.8
82.39394	1.1
83.04975	1.2
83.08608	4.8
85.06573	1.0
91.05482	24.0
93.07048	12.5
95.08603	8.1
99.53630	1.1
101.47002	1.2
105.07037	40.4
107.04935	2.3
107.08591	9.3
109.06499	1.4
109.10145	2.7
117.06980	4.6
119.08569	28.3
121.06509	1.8
121.10114	10.1
123.08036	1.5
131.08563	9.7
133.10121	35.5
135.08051	2.4
135.11681	4.5
137.09627	1.4
145.10103	10.2
147.08052	1.7
147.11694	20.5
149.09633	7.2
152.47824	1.2
157.10117	2.3
159.11644	10.4
161.13225	5.5
163.11165	2.6
164.13570	1.3
165.12784	1.8
169.10139	1.8
171.11679	1.3
173.13229	2.4
183.11766	1.3
194.70149	1.2
197.13298	1.7
223.63213	1.1
239.17998	2.4
247.20514	1.3
257.18936	8.2
275.20050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.93820	1.5
55.01884	1.7
55.05523	10.4
57.59832	1.4
67.05509	11.4
69.07060	9.2
79.05492	13.4
81.07059	16.0
81.21430	1.5
83.08621	2.5
85.06554	2.1
90.19107	1.4
91.05486	18.8
93.07051	15.0
95.04987	2.1
95.08591	11.3
102.09267	1.4
105.07033	38.3
107.04934	5.8
107.08611	14.1
109.06494	1.4
109.10143	5.6
117.07008	6.5
119.08583	28.4
121.10132	8.2
122.10839	1.5
123.11703	1.3
126.16079	1.4
131.08577	9.5
133.10133	35.2
135.08078	1.7
135.11740	2.4
141.01192	1.4
143.08553	1.6
144.62860	1.5
145.10147	10.1
147.11673	18.1
149.09642	16.5
159.11661	7.6
161.13293	6.5
173.13248	3.0
173.64676	1.7
185.13318	2.0
196.63130	1.5
203.14435	2.0
208.06659	1.4
208.86633	1.6
229.19466	2.1
239.17941	2.5
247.20712	1.8
257.18982	8.4
275.09375	2.9
275.20071	100.0
275.27664	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01868	1.3
55.05508	7.7
67.05501	11.8
69.07063	9.0
79.05506	13.1
81.07066	19.7
82.81599	1.5
83.08615	3.0
91.05469	23.3
93.07033	15.8
95.08603	14.4
97.06523	2.9
105.07027	46.2
107.04949	9.1
107.08595	12.4
109.06524	3.1
109.10142	3.7
117.07041	3.5
119.08577	36.8
121.06560	2.1
121.10097	3.8
131.08588	10.5
133.10123	33.9
135.08064	2.5
135.11694	3.0
137.09593	1.9
143.08505	2.3
145.10133	13.5
147.11697	25.5
149.09639	2.8
150.38971	1.4
157.10121	2.3
159.11673	10.9
161.13214	6.6
163.11171	2.4
173.13184	3.6
183.11633	2.9
239.17906	1.7
245.39713	1.6
257.18958	7.7
275.16974	3.6
275.20047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01875	1.3
55.05508	6.3
56.31085	1.1
57.03431	2.1
57.07088	1.2
59.56822	1.1
66.93107	1.3
67.05503	8.4
67.05857	1.2
69.07070	7.1
71.04987	1.7
75.01428	1.2
79.05504	10.4
81.07076	10.5
83.08626	4.5
91.05481	19.4
93.07038	10.0
95.08598	11.2
105.07037	31.5
107.04996	1.8
107.08603	12.0
109.06470	1.9
109.10151	2.8
117.06989	4.8
119.08582	27.3
121.06490	2.7
121.10107	2.8
123.11607	1.4
129.07042	1.3
131.08543	13.6
133.10129	31.7
135.08086	1.5
135.11641	2.0
143.08580	1.8
145.10164	13.1
147.11691	26.3
149.09584	5.9
157.10110	1.9
159.11714	10.6
161.13216	7.6
163.11159	2.2
169.10117	1.6
171.11580	1.6
172.50304	1.3
173.13237	5.4
175.14819	1.4
185.13237	2.6
201.12714	1.6
203.14194	2.0
239.17915	1.6
257.18918	13.0
275.20059	100.0
282.20264	1.4
295.46729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.16043	1.0
52.55927	0.9
55.01867	1.5
55.05512	7.8
57.03433	1.8
59.66590	1.3
67.05511	9.2
69.07047	8.3
71.04989	6.5
72.13443	1.3
79.05486	6.9
81.07056	14.0
83.04974	3.0
83.08602	5.5
85.06536	2.5
91.05477	22.3
93.07046	12.7
95.04972	1.8
95.08611	12.5
95.60736	1.3
97.10171	1.8
105.07031	31.8
107.08600	13.0
109.06515	5.3
109.10155	6.1
111.08067	2.6
117.07008	6.1
119.08566	32.8
119.10590	1.3
121.06485	1.8
121.10128	12.5
123.08034	1.3
123.11673	1.5
129.06926	1.3
131.08585	14.1
133.10136	31.7
135.08047	4.8
135.11662	2.3
141.06989	1.5
143.08536	2.1
145.10115	13.4
147.11685	24.4
149.09599	5.1
157.10121	6.3
159.11719	12.1
161.13252	6.0
171.11736	1.9
172.40030	1.7
173.13263	17.4
174.14024	2.1
175.11188	2.4
175.14799	1.4
175.62653	1.4
177.12654	2.2
183.11632	2.2
185.13205	1.5
187.11247	1.4
191.14261	2.0
196.11603	1.3
197.13179	2.4
199.14844	1.4
201.12747	2.7
239.17970	6.0
257.18933	15.2
258.52972	1.4
275.20041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	0.6
55.05516	9.0
65.71099	0.6
67.05515	14.3
69.03410	0.8
69.07070	9.8
71.05000	1.0
73.06525	0.9
74.61810	0.6
79.05499	10.0
81.06620	0.8
81.07063	17.7
81.77393	0.6
83.04973	0.9
83.08626	9.1
85.06568	0.9
91.05483	29.8
93.07037	12.8
95.04961	1.4
95.08608	12.0
97.10160	3.7
105.07039	55.0
107.04962	0.7
107.08604	9.0
109.06491	1.2
109.10146	4.6
111.08105	0.7
117.07019	7.5
119.08586	42.2
121.10158	4.4
123.08084	0.9
125.09657	1.1
129.07019	0.9
131.08577	16.1
133.10132	53.4
135.08110	0.7
135.11699	3.7
143.08578	3.1
145.10121	19.4
146.10909	0.7
147.11684	32.4
149.09627	1.6
155.08556	1.3
157.10121	2.8
159.11681	12.9
161.13271	7.9
169.10123	2.8
171.11769	4.9
173.13249	6.2
175.14838	1.2
183.11696	3.6
185.13191	1.0
193.12149	0.9
197.13312	1.5
201.12758	1.1
211.14870	1.0
219.13844	1.3
229.15910	1.2
233.15315	0.8
239.18008	4.5
257.19080	9.2
275.20059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2731
Annotation	Kaurane
Peak:m/z	Relative Intensity
54.17781	3.0
55.05516	8.6
55.08570	3.2
55.53827	3.5
57.59827	3.6
57.69851	3.0
67.05514	31.7
69.07073	20.8
71.08600	4.5
77.85532	3.9
79.05491	25.8
81.07066	52.1
83.08648	8.4
83.56823	3.8
91.05479	9.3
93.07060	34.9
95.08607	50.1
97.10175	5.8
104.61402	4.4
105.07052	18.0
107.08618	32.6
109.10160	23.4
117.07997	4.5
119.08562	8.2
121.10131	54.2
123.11724	8.5
133.10164	16.0
135.11714	49.1
141.95213	4.0
149.13327	30.6
163.14819	9.0
177.16432	7.7
202.85782	3.8
275.20090	45.9
275.27365	100.0
277.53500	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0655
Annotation	3-Nitrobenzanthrone
Peak:m/z	Relative Intensity
58.38160	0.8
59.56526	0.9
61.58612	0.9
81.56800	0.9
83.76173	0.8
85.89394	0.8
93.07021	1.7
145.10129	1.4
153.50726	1.0
276.06546	100.0
276.20218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
72.81066	0.3
81.07027	0.3
87.01221	0.3
100.10193	0.3
107.08568	0.4
119.08607	0.4
133.10152	0.4
136.34785	0.3
147.45627	0.3
174.05470	0.5
188.07007	0.4
200.18558	0.3
216.06561	100.0
268.81857	0.3
276.08685	9.7
276.15710	0.5
276.20462	2.4
276.23038	0.5
290.60822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1441
Annotation	O-glutarylcarnitine
Peak:m/z	Relative Intensity
59.03758	2.3
65.73241	2.1
69.03423	5.2
69.07073	1.9
69.59301	1.9
81.03404	4.7
84.04498	8.9
85.02914	11.3
85.45335	1.8
86.09705	55.3
87.03210	15.4
88.03991	37.8
97.02896	23.7
98.09689	3.9
99.04441	2.5
112.03970	14.5
127.03912	16.5
128.10715	9.5
132.10161	21.3
135.92477	2.3
138.05444	3.1
143.05760	16.2
144.10208	9.5
156.06578	3.1
161.06804	23.6
164.10736	11.4
168.10051	2.2
194.11856	4.6
200.08545	3.9
210.11307	14.1
212.12830	42.9
220.08170	3.6
230.13873	93.7
248.14883	9.6
258.13348	87.2
264.03876	3.2
276.06207	2.8
276.14432	100.0
294.07217	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99435	1.7
56.61582	2.3
57.03442	2.8
59.03744	3.0
60.28577	1.6
69.03433	17.1
69.07052	2.0
74.11002	2.0
81.03399	2.3
84.04530	9.0
85.02909	10.1
86.09218	4.3
86.09700	59.4
87.03217	21.4
88.03991	40.6
97.02908	20.4
97.04678	2.3
98.09695	12.8
99.04472	4.0
107.09564	2.2
112.03964	13.9
127.03922	14.7
128.10710	9.3
130.05034	2.2
132.10208	20.8
132.76451	2.1
140.10667	2.8
143.05762	13.2
144.10205	11.0
161.06815	24.4
164.10669	10.9
170.11671	2.4
176.54498	2.2
194.11722	2.1
200.08481	3.3
202.07091	2.9
210.11266	12.0
212.12813	35.9
220.08263	2.2
230.13860	94.9
248.14825	5.0
258.13333	73.6
276.14407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2321
Annotation	Lanyuamide III
Peak:m/z	Relative Intensity
53.96317	2.4
55.05512	5.0
56.05033	14.0
57.07072	11.8
58.06604	6.3
59.54074	2.2
67.05503	19.0
69.07087	5.4
71.08616	3.0
74.06058	11.0
79.05489	19.4
81.07067	30.7
83.08634	4.2
86.06063	3.5
88.07633	13.9
91.05471	17.2
92.20920	4.4
93.07045	37.5
95.08600	23.1
100.07652	3.9
101.81600	3.1
103.16981	3.5
105.07040	21.0
107.08591	30.5
109.10129	6.7
117.07104	3.7
118.08713	4.0
119.08566	26.2
121.10128	26.3
122.08142	14.1
131.08583	3.9
133.10156	26.8
135.11708	28.3
143.08536	3.0
145.10117	5.3
147.11711	28.4
149.13295	23.0
159.11670	6.3
161.13266	38.2
163.14854	12.0
171.11694	5.5
173.13278	14.5
175.14819	21.7
177.12703	2.8
185.13261	6.2
199.14825	3.5
217.19583	3.7
228.23228	60.3
231.21147	3.7
241.19357	22.7
259.20557	47.2
272.93231	3.1
276.20331	13.0
276.23105	50.8
276.25378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	3.0
59.18433	0.6
87.04770	0.6
98.97584	81.7
100.60034	0.5
116.98621	50.4
119.01913	1.4
121.01682	3.3
121.02953	0.8
123.70952	0.7
134.98747	0.6
134.99663	16.4
143.01912	1.0
153.00696	1.2
157.03503	0.6
161.02962	3.9
173.61749	0.7
177.01051	0.8
213.09634	0.9
219.02026	0.9
223.02766	0.9
240.98596	6.2
251.49319	1.3
257.96844	0.8
258.99738	61.1
263.00101	0.8
263.02969	1.2
277.00812	100.0
277.05746	3.1
295.01755	1.0
295.05365	0.7
295.08835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75579	1.4
53.63096	1.4
56.96589	1.8
69.03429	7.7
70.02952	1.7
72.04514	1.7
80.66360	1.7
81.03418	17.7
82.02938	3.0
82.72320	1.5
83.04986	3.0
84.04506	2.9
84.08130	2.6
85.02909	7.8
86.43575	1.6
87.05589	48.0
88.03979	1.7
93.03406	4.0
95.04956	15.5
96.04483	8.4
97.02880	18.9
99.04452	3.2
103.00636	7.6
108.04462	23.0
110.06034	2.9
111.04449	2.1
112.03978	7.7
116.03462	2.2
119.01907	7.4
120.01985	3.0
120.04427	1.7
121.01672	41.9
121.02877	22.9
122.06020	20.3
126.05492	2.6
127.03907	7.2
132.95828	2.4
133.06061	19.3
134.05983	8.3
136.03935	1.9
137.02893	2.2
138.05511	4.1
139.02682	10.6
139.03716	2.0
143.01897	2.5
143.05777	7.3
145.03497	1.9
145.06100	2.1
147.03226	6.5
148.03897	2.2
150.05492	18.4
152.03418	12.5
152.07074	8.9
154.05029	17.2
155.01895	2.6
156.06555	6.0
161.02948	3.9
165.06566	19.4
166.04974	22.8
167.08144	9.5
171.03186	13.6
172.06078	2.8
173.02954	3.5
173.04738	2.3
178.04999	3.1
179.08144	1.8
182.04417	2.8
185.02888	2.1
187.02798	3.2
187.04434	2.9
189.04288	19.2
194.04466	49.4
195.07657	7.3
196.06033	3.6
197.03065	3.2
197.04832	7.6
197.09229	10.6
199.02760	9.9
200.05528	3.9
205.01627	2.3
211.07126	100.0
213.00763	2.5
213.04288	11.0
213.08690	3.5
214.07170	2.2
217.03709	14.7
218.06657	3.2
223.02647	15.2
224.05452	2.7
231.01607	8.9
231.05415	6.9
241.03925	9.0
241.08189	9.3
242.06615	2.5
249.02734	6.7
249.06656	2.4
259.04965	20.7
259.09216	79.7
277.05923	65.9
277.10361	15.2
277.13354	3.1
295.06638	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1029
Annotation	Glutamyl-glutamic acid
Peak:m/z	Relative Intensity
56.05038	1.4
58.06590	0.6
69.07081	0.9
70.06595	5.1
72.08141	1.4
79.05524	0.7
81.03406	1.6
84.04510	100.0
84.08173	1.3
85.02911	3.2
86.09688	1.8
89.40046	0.7
93.07063	1.1
102.05552	29.4
106.40988	0.8
129.10211	1.1
130.05003	49.7
136.07587	0.9
137.05983	1.5
141.10201	3.2
148.06053	50.0
154.23038	0.8
162.05383	1.0
162.61571	0.7
168.06558	10.5
196.06044	4.0
214.07132	7.5
235.16765	1.0
242.06769	1.2
260.07629	4.7
277.10110	12.7
277.14996	5.9
277.18143	0.9
277.21451	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27129	0.9
53.96214	0.8
65.44077	1.0
68.05014	1.8
69.03422	0.9
70.30930	0.9
81.03431	1.1
83.97090	1.0
84.04508	2.6
93.06998	1.3
99.04449	1.0
100.03980	2.6
105.03392	1.3
105.07036	1.9
119.04889	0.9
123.05566	1.9
130.04990	1.2
130.06516	20.8
131.01677	1.0
132.04445	4.0
134.06021	1.6
140.27071	1.1
144.08069	1.5
146.06015	17.3
155.06046	4.7
156.08073	2.4
157.07620	1.0
158.05997	4.4
160.07622	1.4
171.09145	2.2
172.07544	29.5
173.07074	5.5
174.05473	1.9
181.07579	9.2
182.06046	1.4
182.08426	1.6
183.09163	12.6
184.06250	4.1
184.07590	18.2
185.07167	1.7
187.08652	5.5
199.08659	67.6
200.09430	1.4
201.10211	12.2
213.10310	1.4
217.09724	1.9
221.34596	1.2
227.08134	7.2
231.11394	4.0
245.09198	100.0
259.10764	32.9
277.11835	74.8
277.15283	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06060	0.7
52.76478	1.0
65.26420	0.8
65.57925	0.9
68.48636	1.0
69.03434	7.0
69.04562	0.9
70.06603	1.0
70.36195	0.8
72.08158	1.4
84.04499	4.4
87.04458	1.0
93.07043	1.4
97.02866	1.6
99.04449	1.0
100.04000	3.7
105.03397	4.2
105.07011	1.6
114.10272	4.5
115.08674	0.9
116.20056	1.1
121.06507	5.3
123.05503	1.8
124.03981	1.4
130.05016	1.9
130.06523	17.0
131.12912	1.2
132.04503	2.4
146.06021	16.9
147.04428	25.3
155.06070	4.3
156.08104	1.7
158.06055	2.5
160.07545	1.4
171.09213	1.4
172.07574	24.9
173.07156	2.3
179.04713	1.8
181.07613	8.2
182.05971	2.1
182.08472	3.5
183.09169	14.5
184.06311	4.1
184.07690	13.9
185.07100	1.1
187.08693	6.9
199.08667	61.4
200.09517	2.0
201.10281	12.5
217.09682	1.4
227.08177	9.1
228.18153	1.2
231.00830	1.3
231.07611	4.2
231.11450	1.7
245.09218	100.0
259.10751	32.8
277.11951	69.6
277.15985	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05842	0.5
67.08334	0.5
68.99789	2.8
81.07086	0.6
87.00860	2.2
93.07085	0.8
105.01868	10.5
111.00813	1.0
112.41909	0.6
115.03935	5.9
127.74431	0.6
129.01830	16.7
133.04973	39.1
135.11739	0.7
139.00253	7.6
157.01363	2.4
157.04962	100.0
185.04466	1.0
203.09135	6.8
205.24881	0.7
223.27734	0.6
234.06602	2.3
246.10345	1.3
249.09024	0.9
251.64391	0.7
255.12660	0.7
262.06137	1.1
262.09799	2.7
277.08560	13.1
277.12012	7.1
277.21564	1.3
296.07611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1294
Annotation	Clandonensine
Peak:m/z	Relative Intensity
52.18768	0.3
56.05042	4.1
56.05300	0.5
67.50763	0.3
69.04549	0.4
70.06578	2.0
75.19640	0.3
75.95777	0.4
81.03408	0.7
83.06124	1.6
87.05588	1.7
95.06094	1.7
97.02907	0.6
108.04449	0.6
111.05579	4.4
112.03922	0.4
113.07126	5.9
113.09447	0.4
118.06609	0.4
120.04453	0.7
126.06638	2.2
127.07410	1.6
130.06508	0.4
132.04449	0.7
132.08054	0.5
133.05989	0.4
134.06033	0.6
140.08183	1.0
146.06018	0.4
148.03925	0.9
150.05489	4.1
165.06621	2.0
174.05536	0.5
176.07005	0.7
178.98509	0.6
187.08659	3.9
194.04440	0.6
199.08653	2.3
202.09784	1.7
203.08195	1.5
211.07127	3.2
216.11179	0.5
230.09262	2.2
231.07639	20.4
232.10829	0.9
233.09149	1.6
233.13948	4.6
245.09241	3.1
246.08788	0.9
259.09351	1.4
259.11856	19.2
260.10303	2.8
277.12946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1434
Annotation	9-Methoxyverboccidentalactone
Peak:m/z	Relative Intensity
50.88500	4.9
51.07302	4.8
58.42647	5.0
67.05495	12.0
72.98373	4.7
79.05493	11.9
81.07061	49.0
121.10210	6.8
122.05583	6.0
123.04394	26.3
142.99759	6.1
166.06258	9.7
173.06049	8.7
173.09604	9.0
181.08566	65.5
185.09717	7.2
188.08340	24.4
189.09160	25.2
190.09920	26.1
192.07724	8.7
195.06651	7.6
195.10179	12.3
202.09891	25.1
203.10655	37.8
204.07802	29.7
205.08641	21.8
206.09537	10.3
207.10167	28.9
209.08018	6.4
213.09090	13.7
216.11459	39.1
217.08618	24.0
218.09401	38.3
218.12973	57.5
219.10132	51.2
220.07373	10.2
221.08142	32.0
221.11633	10.4
228.11490	58.0
229.08656	6.7
231.10109	25.1
232.10919	32.6
233.11693	50.6
244.10997	7.9
246.08839	6.9
247.13237	42.3
249.14760	72.4
259.09692	30.2
259.13193	42.0
277.10709	77.7
277.14328	100.0
277.21658	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65866	1.5
59.03740	1.7
59.70535	1.6
63.81630	1.6
64.25317	1.6
69.03422	10.9
69.07065	8.7
70.03750	3.2
70.07364	2.0
71.05004	1.8
72.77542	1.5
76.02221	10.1
79.64722	1.6
84.04499	2.4
85.02895	10.1
86.03242	2.5
86.09706	43.6
87.03196	10.1
87.10037	27.5
88.03528	3.8
88.04029	2.5
96.04462	1.8
96.32677	1.9
97.02866	11.2
98.03230	3.6
98.09665	13.2
99.04454	20.1
99.10033	15.1
111.02696	1.9
112.03947	8.3
113.04247	7.6
116.10698	3.4
116.76665	2.0
117.11058	2.6
117.92153	1.7
127.03922	7.4
128.04257	6.7
128.10715	2.8
129.11032	7.3
131.01617	73.8
132.10173	11.5
133.10526	13.1
141.03604	1.9
143.05777	4.0
144.06122	2.4
144.10184	8.9
145.10585	7.7
156.04764	15.5
157.03217	2.3
161.06805	7.1
162.07155	8.2
165.11015	3.4
167.01613	1.8
169.10489	2.3
171.12141	1.9
172.90555	1.6
174.05893	14.0
185.02669	8.5
191.17247	1.9
195.12141	2.1
211.11507	7.5
213.13115	33.2
230.13846	10.1
231.14201	97.0
245.42178	2.0
249.15247	11.2
252.31953	2.3
259.07513	2.8
259.13684	56.4
260.05853	23.9
277.08585	15.3
277.14755	100.0
277.52161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1659
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.12996	0.6
60.05645	1.3
61.33491	0.5
65.49380	0.6
72.08154	6.1
85.31618	0.6
88.31919	0.7
91.05463	1.1
97.07600	0.7
99.04633	0.5
114.10289	18.3
115.08673	1.4
119.04932	4.7
128.88686	0.6
131.12910	5.8
147.04405	100.0
160.50642	0.7
200.37074	0.7
202.77567	0.7
217.13359	4.3
218.11803	6.8
260.13992	5.6
272.79590	0.7
277.13034	3.3
277.16577	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89413	0.5
63.77097	0.6
72.08119	1.3
91.05431	0.7
98.55476	0.6
107.04896	0.8
114.10289	13.4
115.08652	1.5
119.04874	1.5
121.06535	4.6
131.12907	1.4
132.06525	0.7
132.08041	1.1
139.61530	0.6
144.08000	0.9
146.06001	7.8
147.04411	76.3
149.05893	3.0
163.07457	0.7
186.56313	0.6
188.07101	8.6
206.03859	0.7
217.13269	3.7
218.11751	5.9
231.11272	0.9
259.11411	0.8
259.14441	1.0
260.13974	4.8
277.15417	100.0
292.29037	0.6
292.51852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01882	4.2
55.05514	4.7
55.78049	0.7
57.07085	2.9
63.51041	0.6
64.00114	0.7
64.20573	0.6
64.52850	0.6
65.70302	0.7
67.05514	12.4
69.07078	8.1
71.08628	4.0
74.14200	0.7
79.05497	10.8
81.07060	27.2
83.04991	1.5
83.08624	5.2
83.19833	0.7
85.06532	1.0
90.12626	0.6
91.05473	5.6
93.07050	17.0
95.04977	0.9
95.08609	10.8
97.10171	1.1
99.08094	1.6
105.07031	6.5
107.08595	11.9
109.06015	0.6
109.06533	9.4
109.10163	4.6
111.04444	12.0
111.08098	1.3
117.07064	0.9
119.08564	7.2
121.10141	10.9
123.08085	1.2
123.11698	1.4
125.05970	2.7
125.09634	1.0
131.08559	1.0
133.10078	5.1
135.08023	1.2
135.11707	10.7
137.05984	100.0
137.13272	1.6
142.16594	0.7
143.08585	1.4
145.10115	1.7
147.07962	0.9
147.11667	7.1
147.99457	0.7
149.09628	4.0
149.13266	5.3
151.07568	3.3
151.11188	1.0
157.10144	1.3
161.09630	3.9
161.13211	6.1
163.11154	4.8
163.14844	1.6
165.09044	0.9
165.12863	1.2
175.11200	4.1
179.10603	0.9
189.12851	1.0
203.17984	4.3
207.13841	1.0
213.16452	1.0
231.17363	6.7
249.18448	4.5
259.20508	3.5
277.17981	10.8
277.21603	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
55.05512	2.7
67.05516	4.6
69.07071	3.1
79.05495	6.9
81.07056	17.8
83.05007	1.0
83.08610	1.0
85.06525	0.6
91.05467	2.5
93.07036	8.9
95.04967	1.2
95.08602	5.7
97.06541	0.9
105.07043	2.3
107.08608	6.9
109.06522	8.5
109.10157	2.9
111.04435	11.7
111.08086	0.6
119.08570	3.9
121.10143	6.2
123.08085	1.1
125.05994	2.9
131.08635	0.7
133.10109	2.7
135.11720	6.6
137.05975	100.0
147.08090	0.9
147.11690	4.7
149.09634	2.7
149.13213	0.9
151.07520	2.4
157.10152	1.1
161.09596	3.6
161.13277	1.2
162.96109	0.6
163.11234	1.0
163.14771	0.7
165.09177	0.8
167.76619	0.6
175.11194	3.4
175.14853	0.7
179.10646	0.9
189.12805	1.0
203.17993	4.1
213.16458	0.6
231.17435	4.7
231.33305	0.6
249.18474	5.0
277.17966	11.8
277.21573	9.0
293.82816	0.6
295.19052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.77050	0.5
51.85339	0.5
52.97359	0.5
55.01876	1.4
55.05511	3.5
57.07095	0.6
61.40146	0.5
66.22942	0.5
67.05501	5.3
69.07066	3.9
71.08629	0.8
73.38864	0.5
79.05505	6.4
81.07060	18.3
83.04984	0.7
83.08606	1.0
90.13316	0.6
91.05479	3.2
93.07040	7.4
95.04940	0.9
95.08599	6.3
97.06517	0.8
99.08099	0.6
105.07030	1.2
107.08603	7.0
109.06522	6.8
109.10162	3.4
111.04452	9.1
114.47556	0.6
119.08576	3.0
121.10149	5.7
123.08011	1.2
123.11701	1.3
125.05982	3.1
131.08551	0.9
133.10117	4.2
135.08057	0.9
135.11685	5.9
137.05981	100.0
143.08568	0.7
145.10152	1.4
147.07971	0.8
147.11674	4.0
149.09618	1.4
149.13248	1.5
151.07530	1.3
151.11157	0.7
153.09486	0.5
157.10126	1.1
159.11714	0.6
161.09619	4.1
161.13188	1.2
163.11169	3.3
163.14815	0.6
165.09093	1.3
165.12746	0.7
171.11678	1.0
175.11186	3.1
179.10646	0.8
203.17989	3.7
213.16463	1.4
221.19000	1.0
227.00307	0.6
231.17455	5.5
249.18521	5.3
250.89119	0.6
259.20688	0.6
277.17969	12.4
277.21585	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01875	1.7
55.05512	4.4
56.80045	0.6
57.07083	1.0
59.01537	0.7
59.05926	0.6
67.05510	8.4
69.07057	4.5
70.65542	0.8
73.72120	0.7
79.05502	9.5
81.07064	22.4
83.04962	1.1
83.08622	3.4
84.60069	0.7
85.06529	0.8
90.12322	0.7
91.05481	3.9
93.07056	11.3
95.04961	1.4
95.08590	7.2
105.07017	4.8
107.08599	7.7
109.06528	6.6
109.10168	3.8
111.04446	9.9
111.08057	1.6
116.28712	0.8
119.08574	4.4
121.10154	6.7
123.08066	1.2
125.05963	2.9
131.08572	1.4
133.10123	4.7
135.08041	1.0
135.11670	7.3
137.05980	100.0
137.09604	1.5
143.08609	1.1
145.10104	0.8
147.08070	1.3
147.11673	5.0
149.09628	3.3
149.13260	3.3
151.07506	3.3
157.10123	1.5
159.11647	1.8
161.09592	4.4
161.13184	3.3
163.11243	1.3
165.09109	0.9
171.09163	1.1
172.41057	0.8
173.13260	1.4
175.11177	3.9
175.14821	1.1
179.10793	1.0
179.14337	1.3
185.13367	1.1
203.17986	1.7
207.06508	1.2
213.16537	0.9
231.17374	3.9
235.17014	1.1
249.18420	4.8
259.20508	1.2
277.17999	10.5
277.21600	18.7
277.24066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01874	3.1
55.05511	4.1
67.05518	8.7
69.07075	5.2
71.08632	1.5
76.83359	0.7
79.05497	8.2
81.07063	26.9
83.04964	1.7
83.08625	1.9
91.05474	1.6
92.86255	0.8
93.07043	13.0
95.04967	3.6
95.08596	6.6
97.06511	1.1
101.93123	0.7
105.07027	3.6
107.08607	8.9
109.06507	8.9
109.10166	4.5
110.49037	0.8
111.04420	9.5
119.08599	4.0
121.10132	5.9
123.08082	1.6
123.11698	1.9
125.06003	3.4
133.10101	4.2
135.08054	1.4
135.11687	6.5
137.05978	100.0
137.13228	0.8
143.08459	0.9
147.07922	1.0
147.11696	6.2
149.09636	1.4
149.13213	3.4
151.07515	1.0
151.11212	1.5
161.09583	3.7
161.13258	3.2
163.11119	1.0
163.14870	1.0
165.12715	3.2
171.11719	1.6
175.11172	3.9
175.14796	0.9
189.12804	1.3
198.05582	1.0
203.17940	3.8
213.16373	1.6
231.17317	5.3
249.18480	5.0
254.69505	0.8
259.20557	1.2
277.17975	11.8
277.21597	17.4
277.24399	0.8
295.19022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.23354	1.1
55.01894	1.9
55.05513	6.5
57.07065	1.3
66.86887	1.1
67.05510	11.3
69.07070	9.2
77.11731	1.4
77.85212	1.2
79.05505	23.4
81.07066	28.8
83.04978	2.4
83.08616	5.8
91.05475	7.9
93.07042	41.6
95.04989	1.7
95.08599	14.6
97.10191	1.6
105.07045	5.3
107.08601	23.4
109.06522	9.0
109.10167	9.3
111.04436	9.3
117.07007	2.1
119.08596	7.0
121.10135	19.2
122.00770	1.4
125.06004	2.1
133.10158	6.4
135.08107	2.6
135.11687	22.6
137.05981	100.0
145.10085	1.4
147.11682	6.7
149.13272	6.8
151.07552	1.8
151.11145	1.8
152.01749	1.4
159.11647	1.9
161.09663	2.5
161.13277	2.9
163.11142	2.3
163.14816	1.9
171.11845	1.7
175.11212	1.8
189.12817	2.1
207.14255	1.4
213.16403	2.8
231.17424	5.6
249.18430	2.3
252.55341	1.4
277.18030	10.8
277.21616	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.02923	0.5
55.01874	3.1
55.05512	4.1
57.03442	0.9
57.07079	2.4
67.05512	10.0
69.03427	0.7
69.07072	4.3
71.08632	1.1
79.05496	9.0
81.03421	1.4
81.06616	1.2
81.07063	27.3
83.04979	2.6
83.08633	1.3
91.05488	3.9
93.07047	16.7
95.04971	4.7
95.08620	9.3
97.06549	1.0
97.10168	0.7
105.07027	4.9
107.08601	10.2
109.06515	14.1
109.10191	5.0
111.04456	10.3
111.08111	1.1
117.07034	0.8
119.08577	4.6
121.10154	8.5
121.65443	0.7
123.08064	3.2
123.11702	1.5
125.05978	2.5
131.08554	1.3
133.06548	0.6
133.10139	5.8
135.08064	1.1
135.11696	7.6
137.05984	100.0
137.09625	1.3
137.13290	0.9
143.08551	0.7
145.10147	1.3
147.11684	6.8
149.09651	2.8
149.13251	3.9
151.07536	2.6
151.11160	2.5
157.10161	0.8
161.09561	5.2
161.13257	3.1
163.11186	1.5
165.09129	1.2
165.12793	1.1
175.11157	3.1
193.12236	0.9
198.05577	1.1
199.15025	0.7
203.18010	3.2
221.19121	0.9
231.17490	4.7
232.38068	0.6
235.17184	0.8
241.19501	1.0
249.18536	5.1
259.20581	2.5
270.09399	0.7
277.18008	13.5
277.21603	26.0
287.30072	0.7
295.19077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.05514	8.0
57.07072	1.9
59.20924	1.5
65.94065	1.6
67.05515	14.6
69.07076	13.8
78.75360	1.4
79.05499	24.0
81.07055	24.4
83.04971	1.9
83.08600	3.0
89.87140	1.8
91.05482	9.7
92.84572	2.1
93.07032	32.5
95.05005	2.8
95.08591	13.4
105.07042	17.9
107.08591	20.4
109.06509	8.3
109.10154	3.8
118.13431	1.6
119.08585	9.6
120.39455	1.7
121.10117	18.4
123.04411	10.4
131.08595	2.5
133.06497	12.2
133.10110	8.2
135.08066	27.6
135.11679	13.0
137.05972	38.7
137.09569	2.4
147.11687	4.5
149.09631	2.6
149.13266	7.6
151.03979	2.5
151.07571	10.2
151.11209	2.5
159.83992	1.9
161.13252	4.5
163.11212	2.3
165.03703	13.7
165.05482	11.3
175.11244	2.4
178.26140	2.0
198.05525	3.8
222.21167	2.1
231.17705	1.8
235.16876	3.8
247.02992	2.3
277.17972	100.0
277.21588	49.5
282.24631	1.8
291.56885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.191
Annotation	Hederacine B
Peak:m/z	Relative Intensity
54.44835	0.5
62.23952	0.5
67.05492	0.6
67.07937	0.5
70.06591	1.4
79.05507	0.7
81.07053	0.8
84.08145	8.7
93.07028	0.8
95.68570	0.6
96.89692	0.6
99.10477	11.4
107.08603	0.7
114.12875	0.8
120.08174	0.7
130.06474	0.6
132.08083	1.0
160.07568	0.9
164.07068	17.0
176.06952	2.8
178.08649	11.6
188.07077	1.0
188.60466	0.6
216.10223	0.8
218.11726	4.5
231.11377	0.9
235.06750	0.8
251.97226	0.6
259.14285	0.6
262.16779	11.5
277.12213	3.0
277.15558	10.9
277.19083	100.0
296.48456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1947
Annotation	Callytetrayne
Peak:m/z	Relative Intensity
50.70053	1.0
55.05520	8.3
57.07037	1.2
67.05499	11.8
69.07040	8.3
74.26141	1.0
79.05091	1.2
79.05499	28.1
81.06629	1.1
81.07059	21.4
83.08597	1.8
91.05460	9.2
93.06498	2.1
93.07040	45.5
95.08591	14.7
101.71287	1.1
105.07043	11.6
107.08592	29.2
108.24890	1.2
109.10128	7.0
109.49267	1.5
117.06961	2.7
119.08583	9.3
121.10140	27.9
121.29117	1.6
129.06960	2.5
131.08521	5.5
133.10159	10.1
135.10823	1.4
135.11693	27.2
137.05928	2.9
143.08493	6.8
145.10080	4.7
147.11635	7.7
149.13269	10.5
155.08539	10.5
157.10071	8.6
159.11719	1.3
161.13188	1.2
163.14783	2.0
169.09988	6.5
171.11700	1.5
179.08496	2.7
181.10034	4.8
183.11574	2.9
189.91089	1.2
192.09200	2.2
193.10112	8.9
194.10873	1.3
195.11710	9.5
195.13307	1.7
196.00169	1.3
197.13185	1.6
206.10861	1.9
207.11690	25.0
209.13194	4.8
219.11633	4.3
220.12201	1.4
221.13216	23.1
233.13133	6.3
234.13757	1.9
235.14784	18.6
247.14610	2.4
248.15422	8.1
249.16252	4.6
262.17029	6.5
277.19305	100.0
277.21674	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
55.05510	9.5
56.18830	2.0
57.07071	3.8
67.05512	31.0
69.07065	14.8
71.08630	12.5
78.63372	2.0
79.05499	34.5
81.03415	9.8
81.07059	39.3
83.04984	4.0
83.08621	5.4
88.87696	2.0
91.05482	15.0
93.07041	66.0
95.04997	18.6
95.08607	29.1
97.10169	3.2
99.08094	5.4
105.07037	10.4
107.08594	36.9
109.06500	3.0
109.10149	8.7
116.81274	2.3
119.08582	13.1
121.10138	26.7
131.08574	2.7
133.10146	14.9
135.11694	32.4
145.10124	4.3
147.11679	14.0
149.13266	17.9
151.11180	14.7
161.13257	5.6
163.14871	2.5
164.85413	3.3
165.12735	2.5
171.11697	2.6
175.14839	4.0
179.14261	5.1
193.12154	2.6
241.19449	2.6
259.20456	3.4
277.18561	4.3
277.21622	100.0
277.88260	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01870	1.7
55.05511	10.6
57.07073	3.0
61.67707	1.6
63.07347	1.8
67.05512	24.9
69.07082	12.7
71.04960	1.7
71.08626	12.8
79.05509	22.9
81.03421	2.6
81.07065	32.6
83.08601	4.3
91.05479	12.0
93.07054	46.9
95.04954	8.0
95.08601	19.8
97.06540	2.1
99.08076	8.3
105.07012	13.5
107.08606	29.5
109.06536	4.2
109.10152	13.3
111.04430	1.9
117.06986	2.0
118.52074	1.8
119.08575	13.6
121.10138	20.6
121.61088	1.8
125.04426	1.9
133.10132	12.1
135.07999	2.2
135.11697	23.3
137.05966	16.1
137.09610	2.4
141.12776	2.0
143.19151	1.9
145.10097	3.9
147.11702	10.7
149.13266	9.7
151.11180	3.7
159.11664	2.8
161.13254	4.4
163.11160	9.7
163.14764	3.1
171.11632	3.4
175.14702	2.5
179.14264	2.0
201.22597	1.9
231.21097	2.1
241.19522	2.7
259.20618	10.6
277.18405	4.0
277.21619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
50.98668	1.3
51.65407	1.5
55.05508	8.2
57.55960	1.4
67.05508	20.9
67.41100	1.4
68.16985	1.4
69.07064	9.0
69.19035	1.5
79.05077	2.3
79.05502	38.1
81.07056	34.3
83.05016	1.6
83.08613	7.5
84.76926	1.4
91.05471	12.4
93.06483	3.2
93.07045	68.6
95.04941	2.7
95.08620	19.1
97.06582	1.6
97.10149	2.0
105.07055	11.9
107.08608	40.2
107.09283	3.3
107.66053	1.6
109.06550	1.8
109.10178	12.1
111.08105	1.9
117.06985	1.7
118.37778	1.6
119.08589	9.5
121.10143	41.2
123.08033	2.3
131.08553	3.6
133.10088	12.1
135.11688	52.5
137.05995	2.9
137.09587	2.2
139.11211	2.1
145.10065	2.8
146.78644	1.6
147.11711	4.0
149.13254	21.8
159.11665	3.8
161.13272	3.2
163.14804	6.6
175.14796	2.0
195.13811	2.4
214.56509	1.7
241.19539	1.9
259.20700	3.8
264.22226	1.7
277.21609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03951	3.1
54.66412	2.0
55.05511	10.5
57.03461	1.9
57.07073	2.0
67.05512	34.1
68.01437	1.6
69.07078	15.7
71.08617	3.1
79.05077	3.7
79.05492	45.6
80.98029	1.6
81.03426	11.8
81.07060	31.9
83.04952	2.1
83.08607	7.7
91.05473	12.0
93.07045	67.1
95.04977	12.6
95.08622	27.1
97.06557	2.4
97.10164	1.9
99.08077	2.5
105.07055	13.4
107.08607	42.8
109.06522	3.3
109.10155	11.0
117.06984	2.1
119.08574	12.1
121.10149	38.1
133.10141	18.3
135.11697	38.4
141.22940	1.9
145.10089	2.7
147.11682	9.7
149.13261	20.5
151.11168	7.4
159.11650	2.7
161.13248	7.1
163.14781	4.3
165.12692	2.6
171.11687	3.7
197.30501	2.0
198.05626	2.0
231.89793	1.7
249.22223	2.6
259.20502	3.1
277.18497	3.4
277.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.22746	1.4
52.97971	1.5
53.03953	1.4
54.17637	1.5
55.01883	2.4
55.05521	14.1
57.07079	3.5
66.66498	1.6
67.05192	1.7
67.05516	34.3
69.07076	19.3
71.08640	2.5
71.65453	1.5
76.20755	1.5
79.05497	54.7
81.03422	2.0
81.07063	43.5
83.08613	8.2
85.06535	2.2
88.02718	1.7
91.05485	14.8
93.07048	87.3
95.04967	9.4
95.08615	24.1
97.06528	8.6
97.10191	1.9
105.07056	17.3
107.07929	2.4
107.08604	44.7
109.06518	10.2
109.10143	16.4
111.04439	10.4
117.07003	2.7
119.08562	16.5
121.10145	42.6
123.08073	1.9
123.11713	2.8
129.00322	1.9
131.08565	7.8
133.10150	13.7
135.11696	47.6
137.05988	79.3
137.09598	2.7
137.13210	2.1
144.78172	1.7
147.11679	14.3
149.09572	2.7
149.13242	20.9
151.07486	2.6
151.11194	2.8
155.99150	1.7
159.11671	2.4
161.09602	3.3
161.13272	3.3
163.14821	3.4
171.11688	3.0
175.11139	1.9
175.14792	2.6
179.14294	1.8
189.12753	2.3
193.15894	3.8
203.17993	2.5
221.15358	2.1
231.17470	4.1
249.18503	4.0
259.20697	3.2
269.59671	2.0
277.18152	7.3
277.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05521	9.1
57.07077	4.3
58.34556	1.5
63.28986	2.3
65.90465	1.9
67.05514	23.6
69.07075	11.4
71.04984	2.5
71.08640	4.3
77.41794	1.6
79.05141	2.0
79.05508	32.1
81.07069	30.2
83.08611	4.8
91.05488	16.1
93.07051	61.9
94.91197	1.9
95.04975	4.0
95.08624	22.9
97.10162	3.2
98.33901	2.3
99.08058	3.3
105.07055	14.6
107.08614	40.6
109.06524	4.2
109.10161	11.0
113.09667	2.1
117.07011	2.4
119.08598	10.7
121.10152	36.2
123.11739	3.4
124.06963	1.8
129.07019	3.0
131.08580	4.6
133.10147	11.0
135.11694	34.5
137.06001	7.7
137.09604	4.3
145.10159	3.6
147.11688	9.7
149.13274	17.6
159.11786	3.1
161.13248	2.7
163.11214	3.0
163.14790	4.3
171.11620	3.2
175.14766	3.0
179.10680	2.1
179.14307	2.7
185.13431	2.6
198.05615	2.6
207.13904	1.9
211.08234	1.9
213.16299	1.9
221.15291	2.3
231.17416	2.1
231.21158	2.6
235.16913	25.4
259.20520	4.6
277.18069	25.9
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
53.12047	2.0
55.05512	13.9
57.07071	3.5
62.39479	2.2
65.32033	2.1
65.62774	2.2
67.05513	28.9
69.07063	14.6
71.34179	3.2
79.05069	3.8
79.05497	60.4
79.45769	2.4
81.07064	45.9
83.08617	12.2
87.42788	2.1
91.05473	11.8
93.07036	87.9
95.08590	24.5
105.07031	10.9
107.08599	52.9
109.10145	16.6
117.07053	2.7
119.08584	11.5
121.10138	53.2
123.11692	3.0
133.10141	5.9
135.11681	54.2
136.02377	2.4
137.05936	3.3
145.10129	3.5
147.11690	5.8
149.13225	27.5
161.13242	3.9
163.11266	2.6
163.14772	4.7
221.15482	4.1
223.42982	2.4
259.20523	10.7
277.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
54.65431	2.6
55.01878	2.5
55.05513	16.5
57.07084	5.5
62.85155	2.3
67.05507	22.4
69.07065	20.7
71.08627	5.6
75.63280	2.1
79.05499	45.4
80.80350	2.6
81.07065	36.4
83.08622	5.4
85.06549	2.7
85.66578	2.2
88.28937	2.3
91.05490	13.9
93.07040	95.5
95.04949	6.0
95.08624	25.3
97.10089	3.0
99.08125	5.7
105.04560	3.6
105.07030	17.5
106.67188	2.5
107.08607	56.6
114.47118	2.3
119.08583	13.2
121.10158	25.3
121.64710	2.5
123.11668	2.7
129.06961	4.5
131.08560	3.9
133.10138	5.8
135.11697	26.4
136.73868	2.5
139.49509	2.3
147.11716	12.3
149.13245	19.1
151.11191	3.6
161.13243	5.7
163.11066	3.0
163.14792	5.4
171.11766	5.3
179.10657	3.3
179.14273	4.7
221.15355	3.5
235.16853	31.2
241.19272	3.2
258.04520	2.9
264.94366	2.6
277.18134	12.6
277.21597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03951	4.6
55.05517	20.5
55.80890	1.9
57.07084	3.7
67.05511	38.6
69.07066	17.2
71.08623	10.4
79.05509	32.3
81.03419	29.7
81.07064	42.7
83.04977	10.0
83.08614	9.2
91.05468	21.7
93.07042	47.5
95.04965	35.7
95.08627	28.5
97.06593	3.0
99.08091	3.0
105.07044	21.5
107.08595	29.3
109.06532	10.6
109.10159	19.8
111.08103	2.7
119.08577	14.3
121.10173	17.3
123.11763	4.5
125.09646	2.5
129.07066	3.4
131.08563	3.1
133.10124	14.1
135.11705	11.7
143.08598	3.2
147.11722	12.9
149.13261	12.7
151.11247	18.3
156.04451	2.8
159.11694	3.0
161.09634	3.6
161.13235	11.5
163.11076	3.2
163.14745	3.6
165.12743	10.0
165.42258	2.5
171.11674	2.6
173.13272	2.9
179.14308	3.2
207.92215	2.8
231.21085	3.8
235.16800	3.6
241.19487	3.4
259.20551	4.7
277.18576	3.7
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
55.01875	6.3
55.05513	9.1
56.96538	1.3
57.07083	3.2
67.05509	17.2
68.38751	1.4
69.07075	10.3
71.08630	2.8
72.35263	1.3
79.05499	20.1
80.44952	1.3
81.03416	8.6
81.07066	32.5
83.04982	2.9
83.08626	6.4
91.05477	9.7
93.07053	38.1
95.04961	6.6
95.08606	16.4
97.10161	1.9
105.07041	9.7
107.08589	21.0
109.06530	12.2
109.10157	8.8
111.04484	10.3
119.08589	7.8
121.10172	10.2
123.08006	2.1
123.11736	1.7
125.06011	1.9
129.07004	1.5
131.08556	3.2
133.10132	9.6
135.08032	1.6
135.11687	14.6
137.05986	100.0
137.13304	1.8
143.08588	2.2
145.10117	1.8
147.07985	1.6
147.11700	8.6
149.09651	2.9
149.13261	6.4
151.07498	1.6
151.11203	3.5
161.09615	3.0
161.13271	6.8
163.11253	2.7
163.14879	1.8
165.12770	1.9
167.14355	1.4
175.11243	1.4
203.17990	2.8
213.07999	7.2
231.09024	5.9
231.17455	6.1
235.16904	2.6
249.18611	2.6
259.20450	1.9
277.18054	15.8
277.21597	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
55.05525	13.2
56.17012	1.1
59.65653	1.2
60.76591	1.2
67.05510	24.1
67.29082	1.1
68.40553	1.3
69.07074	13.8
71.08659	1.3
75.31030	1.2
77.14702	1.4
79.05501	46.4
81.03420	1.3
81.07066	28.7
83.08613	8.2
91.05488	12.4
93.07049	85.4
95.04967	5.5
95.08613	20.1
97.06561	2.2
97.10171	5.0
99.08135	1.7
105.07045	8.7
107.08603	41.7
109.10155	14.9
117.07021	1.7
119.08575	9.2
121.10152	44.7
123.11674	1.5
131.08578	1.6
133.10144	15.1
133.72110	1.3
135.11693	48.4
145.10060	1.3
147.11699	7.3
149.13261	19.9
159.11617	1.5
161.13222	5.5
163.14862	5.6
165.12820	1.6
168.86287	1.3
171.96492	1.3
173.13260	2.1
179.79335	1.2
185.06232	1.5
185.13306	1.4
224.15616	1.4
235.16940	5.6
239.39268	1.3
259.20584	2.5
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.57882	1.9
55.01888	4.0
55.05497	5.6
57.07071	2.7
58.03921	2.2
59.02170	2.2
60.24276	2.7
61.19485	2.2
61.50488	2.6
67.05505	26.8
69.07062	10.7
69.55058	2.8
70.15929	2.9
71.04995	4.4
71.08620	14.6
71.75977	2.7
76.22660	2.3
79.05498	32.1
81.07043	34.8
83.04952	3.9
83.08627	3.6
91.05484	14.7
93.07047	64.6
95.04961	11.3
95.08623	23.7
97.06567	2.5
97.10203	2.6
99.08086	6.4
105.07034	6.7
106.81996	2.6
107.08607	35.8
109.10140	12.5
117.07011	3.3
119.08573	16.1
121.10129	18.4
123.11678	2.8
131.08549	4.5
133.10095	15.5
135.08025	3.1
135.11702	21.2
137.09679	4.0
145.10121	6.4
147.11702	3.7
147.68698	3.3
149.13246	10.4
151.11250	5.8
161.13345	9.8
163.11272	4.5
175.14771	4.0
179.14346	2.8
229.69029	3.2
241.19547	3.8
259.20587	14.9
277.21552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.66981	1.5
55.00441	1.6
55.05511	12.8
57.07066	2.7
59.80317	1.7
65.03989	1.6
67.05507	28.3
69.07079	17.5
69.72602	1.7
79.05085	2.1
79.05504	45.3
81.03426	2.2
81.07063	33.4
83.08614	11.2
85.07085	1.7
91.05482	14.3
93.07047	86.3
95.04977	8.8
95.08601	25.7
97.10182	3.3
99.08073	2.0
105.07034	12.4
105.07713	1.7
107.08603	54.6
109.06554	3.3
109.10146	13.5
111.08056	2.3
117.07006	2.1
119.08560	13.0
121.10145	45.2
133.10147	14.7
135.11693	43.5
137.05984	7.4
137.39999	2.4
141.05681	1.9
145.10083	3.7
147.11722	3.6
149.13289	19.5
161.13190	6.7
163.14854	2.5
171.11693	3.0
175.14827	2.0
221.15399	3.5
235.16862	2.5
241.19499	2.1
259.20532	3.8
277.18555	3.5
277.21622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.23184	1.6
55.01871	1.9
55.05519	15.5
57.03433	2.4
57.07065	8.4
60.37872	1.4
64.74233	1.6
67.05506	31.8
69.07069	23.0
71.08616	3.7
75.29861	1.5
75.39827	1.6
79.05499	36.5
81.03429	3.5
81.07062	37.5
83.04955	2.7
83.08613	9.9
83.44949	1.6
83.78352	1.6
91.05467	14.7
93.07044	61.8
95.04967	15.8
95.08594	28.5
97.06524	4.0
97.10114	2.5
97.32369	1.8
99.08082	2.9
99.89227	1.7
105.07043	20.5
107.04993	2.1
107.08603	39.2
109.06505	9.1
109.10149	11.2
111.04453	2.7
117.06956	3.5
119.08581	21.2
121.10143	33.5
123.08035	4.3
123.11711	2.5
129.06976	2.9
131.08554	7.5
133.10117	19.2
135.11708	26.9
137.05984	43.9
137.09613	4.2
143.08574	4.4
145.10109	2.2
147.08043	2.8
147.11673	13.2
149.09581	2.9
149.13266	10.9
151.11147	3.4
157.10149	4.0
161.09608	3.2
161.13263	9.3
163.11150	2.5
163.14798	2.7
165.12672	7.5
167.10730	2.1
171.11694	7.4
173.13219	1.8
175.11124	1.9
175.14731	2.1
177.12688	2.1
179.14259	3.4
182.00839	1.8
185.13280	2.7
189.12621	1.8
193.12242	4.2
203.14301	2.0
207.13763	8.0
217.19470	2.4
221.15260	3.4
231.17419	4.0
231.21036	2.4
235.16818	3.8
241.19543	2.3
249.18338	2.5
259.20599	6.9
261.96671	2.0
277.18057	8.7
277.21573	100.0
280.22336	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
55.05511	11.2
57.07076	3.2
67.05510	23.6
69.07072	14.4
74.06397	1.3
79.05495	58.8
81.07061	30.6
83.08611	7.5
87.36125	1.3
89.52168	1.3
91.05474	15.1
93.07040	100.0
95.04954	6.3
95.08617	26.4
97.10172	2.5
97.57532	1.5
104.49335	1.5
105.07043	12.0
107.08595	52.4
109.10147	10.0
117.06979	1.5
119.08568	8.5
121.10134	51.8
123.08099	1.8
123.11705	2.7
133.10126	11.3
135.11693	45.9
147.11691	7.8
149.13260	15.7
159.11633	2.0
161.13301	3.0
171.11728	2.0
175.14702	2.0
188.25874	1.6
199.14684	1.8
221.15405	1.9
235.16876	2.3
241.19400	1.7
277.21597	78.0
292.48682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
55.05516	11.3
57.07066	1.8
57.48588	1.9
64.21508	1.8
67.05518	24.7
69.07066	12.5
71.04986	4.2
79.05495	36.4
81.07069	40.9
81.07505	3.2
83.05003	2.6
83.08620	4.9
85.06537	3.2
91.05483	13.8
92.19118	2.0
93.06483	3.4
93.07046	65.4
95.04976	8.9
95.08634	30.1
97.06513	3.0
105.07035	11.7
107.08604	50.0
109.06496	3.2
109.10165	17.8
111.04438	2.1
119.08597	12.5
121.06481	2.0
121.10151	44.9
123.08085	4.0
123.11672	3.3
131.08546	5.0
133.10107	16.9
134.23796	1.8
135.11703	30.6
135.44868	2.6
137.05998	19.8
143.08569	2.5
145.10144	7.8
147.11720	9.0
149.09682	2.5
149.13304	21.1
151.11122	1.8
157.10091	2.9
159.11729	8.4
161.09605	2.3
161.13258	4.0
163.14745	4.0
166.77693	2.4
171.11700	2.4
173.13293	4.1
175.14877	2.5
191.14297	2.3
213.07935	2.1
220.25612	2.1
241.19487	4.9
249.18456	2.1
259.20575	10.6
260.20981	2.4
277.18439	4.0
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68739	1.1
69.30530	1.2
75.28741	1.2
137.98874	1.3
162.72676	1.4
263.05536	1.6
278.08109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65417	1.3
82.38815	1.2
83.30267	1.4
90.48595	1.2
182.01123	1.6
235.06264	1.5
247.69283	1.5
265.68982	1.4
278.08093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61793	1.2
71.54135	1.4
74.80273	1.3
75.70036	1.3
101.24736	1.3
125.73924	1.3
131.13069	1.6
143.87976	1.3
152.78990	1.3
263.05948	1.7
278.08102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84407	1.0
51.98017	1.0
54.75795	1.2
66.58393	1.3
68.56992	1.2
109.52538	1.3
118.77711	1.2
121.97559	1.3
131.37901	1.4
148.56647	1.2
150.05080	1.3
178.95963	1.3
248.07133	1.7
278.08109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08484	2.0
50.54254	2.0
54.41052	2.2
55.89451	2.3
87.73210	2.4
226.41838	2.7
278.05234	3.3
278.08081	100.0
278.10904	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45893	1.0
67.86426	1.3
79.02955	1.2
91.41136	1.0
104.99555	1.0
109.10716	1.1
165.05464	1.2
263.05548	1.3
278.08121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11238	0.8
56.70390	0.9
61.75895	1.0
68.67721	1.0
69.33521	1.0
120.23930	0.9
151.44637	1.0
232.05618	1.0
263.05789	1.5
278.08115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0804
Annotation	PPM-18
Peak:m/z	Relative Intensity
66.30623	1.2
77.91979	1.1
87.42017	1.1
131.21855	1.2
141.35876	1.2
241.91986	1.4
255.89009	1.4
263.05814	2.1
278.08112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10338	1.3
81.10204	1.5
90.02508	1.9
155.84006	1.6
196.89824	1.9
278.08112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96266	0.9
56.41596	0.8
57.22466	1.0
57.95863	1.0
61.49471	0.9
70.72411	1.0
74.88939	1.0
75.48088	1.0
80.82209	1.2
96.97351	1.0
99.16225	1.1
112.93569	1.2
157.09767	1.4
200.26906	1.0
227.51440	1.2
263.05844	2.0
278.08121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0803
Annotation	PPM-18
Peak:m/z	Relative Intensity
65.72807	1.6
85.31575	2.0
143.75800	1.7
191.07231	2.4
263.05710	2.1
278.08121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
69.03427	18.8
74.02447	7.8
81.03438	6.4
82.02913	4.5
85.02914	18.9
85.69337	3.6
86.02428	14.9
87.03207	16.5
88.03993	42.8
88.77615	3.5
92.20930	3.4
93.55244	3.3
94.81416	3.2
96.04498	14.1
97.02897	62.6
99.04441	14.0
100.03990	17.0
103.56847	3.6
108.04483	5.6
109.02884	4.6
111.01883	3.2
111.63265	3.3
112.03954	32.1
116.03469	15.0
122.06046	17.3
124.03872	4.8
126.61809	3.4
127.03919	20.2
128.03435	32.5
128.07100	24.6
134.04507	58.3
135.21257	3.8
143.05779	36.3
146.04506	20.0
152.03410	14.6
154.04980	23.6
161.06931	11.3
166.05017	32.7
168.06558	3.8
170.04509	5.6
170.08095	3.8
172.06015	8.1
178.05072	3.8
194.04492	51.8
194.08186	4.0
195.04726	4.1
196.05983	15.2
200.05525	18.7
212.05583	56.2
212.07381	11.8
214.07057	17.4
214.10706	6.2
232.08194	8.2
232.11794	5.9
237.33755	3.7
242.06575	6.2
242.10275	29.6
260.07626	100.0
260.11420	45.3
278.08734	71.3
278.12048	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
69.03427	18.8
74.02447	7.8
81.03438	6.4
82.02913	4.5
85.02914	18.9
85.69337	3.6
86.02428	14.9
87.03207	16.5
88.03993	42.8
88.77615	3.5
92.20930	3.4
93.55244	3.3
94.81416	3.2
96.04498	14.1
97.02897	62.6
99.04441	14.0
100.03990	17.0
103.56847	3.6
108.04483	5.6
109.02884	4.6
111.01883	3.2
111.63265	3.3
112.03954	32.1
116.03469	15.0
122.06046	17.3
124.03872	4.8
126.61809	3.4
127.03919	20.2
128.03435	32.5
128.07100	24.6
134.04507	58.3
135.21257	3.8
143.05779	36.3
146.04506	20.0
152.03410	14.6
154.04980	23.6
161.06931	11.3
166.05017	32.7
168.06558	3.8
170.04509	5.6
170.08095	3.8
172.06015	8.1
178.05072	3.8
194.04492	51.8
194.08186	4.0
195.04726	4.1
196.05983	15.2
200.05525	18.7
212.05583	56.2
212.07381	11.8
214.07057	17.4
214.10706	6.2
232.08194	8.2
232.11794	5.9
237.33755	3.7
242.06575	6.2
242.10275	29.6
260.07626	100.0
260.11420	45.3
278.08734	71.3
278.12048	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22182	0.4
56.05037	3.3
70.06582	0.9
81.03407	0.6
84.04520	0.6
85.02884	1.1
85.40006	0.4
99.04468	2.7
99.05585	0.5
103.05495	0.9
105.05754	0.7
113.07108	5.1
117.05492	4.6
120.04463	15.9
130.06537	2.4
131.04938	0.6
132.04474	3.2
132.08070	6.5
134.05986	0.8
141.06583	34.2
145.04912	0.5
148.03923	0.9
150.05493	6.0
158.06012	2.0
160.07552	0.7
170.58557	0.5
174.05484	0.8
176.07079	8.6
201.06625	0.7
206.08092	4.7
215.55772	0.5
217.09814	0.8
231.07710	0.9
232.10805	22.2
232.13188	0.8
234.07658	3.4
242.13846	0.5
243.08667	2.4
260.10275	51.3
260.14941	2.5
261.12201	3.9
263.07742	0.7
278.11365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1384
Annotation	Convolidine
Peak:m/z	Relative Intensity
51.47519	0.6
54.02647	0.7
68.02130	0.7
69.03436	0.7
71.60234	0.7
77.89746	0.7
86.09692	0.9
87.04462	1.5
95.11944	0.7
97.02927	0.9
98.00663	1.0
99.04452	1.7
104.50970	0.7
116.01694	3.4
116.07084	8.4
117.07043	3.5
121.06548	6.2
128.07080	47.9
134.04503	0.8
135.04445	1.7
135.08055	1.3
137.06027	1.2
142.08656	3.4
145.06490	12.0
151.07545	1.5
161.06004	1.1
162.05528	12.1
162.06729	1.6
163.06264	2.6
163.07520	19.7
165.09132	8.1
171.01259	0.7
174.09135	1.5
177.07755	1.1
179.09344	2.8
192.10191	97.3
194.08173	0.9
212.07317	0.9
275.65808	0.9
278.10275	31.0
278.13873	100.0
283.40091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.7
64.73804	0.7
67.05470	0.9
69.07051	1.6
71.90756	0.6
75.09232	0.7
81.07052	3.5
89.60200	0.6
95.08600	1.7
103.05436	3.2
110.87510	0.8
117.06985	2.8
122.47446	0.8
123.04416	4.6
128.04826	0.8
131.04913	14.4
131.08571	1.1
131.19186	0.8
135.11697	0.8
137.05949	5.3
145.06483	13.5
149.05972	100.0
151.07549	1.7
159.08057	3.7
163.07529	40.0
177.09114	4.9
185.62631	0.7
227.86995	0.8
233.74721	0.8
239.73048	0.8
261.18463	27.8
278.08127	1.2
278.21140	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2114
Annotation	Stenine
Peak:m/z	Relative Intensity
55.05508	1.2
57.07075	1.3
67.05492	4.4
69.07051	1.2
76.57479	0.6
79.05482	2.4
81.07059	4.8
82.07362	0.7
86.43887	0.7
93.07032	1.6
94.07368	0.8
95.08614	4.9
96.08931	0.7
103.05453	2.5
107.08546	1.0
109.10113	2.9
117.06985	2.3
121.10108	1.5
122.06024	0.7
122.10458	1.0
123.04413	4.6
125.35190	0.6
131.04909	15.3
133.10094	0.7
135.11674	2.2
137.06007	7.2
138.06337	0.8
145.06470	10.2
145.10165	0.9
149.05977	100.0
150.13655	0.9
151.07518	3.7
159.08038	3.4
163.07530	39.2
177.09116	5.1
177.21884	0.6
224.68272	0.6
261.15756	1.4
261.18478	26.7
261.21616	1.2
274.09836	0.6
278.08105	3.9
278.17667	3.6
278.21136	62.6
278.24484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Stenine
Peak:m/z	Relative Intensity
57.07073	1.7
64.73804	0.7
67.05470	0.9
69.07051	1.6
71.90756	0.6
75.09232	0.7
81.07052	3.5
89.60200	0.6
95.08600	1.7
103.05436	3.2
110.87510	0.8
117.06985	2.8
122.47446	0.8
123.04416	4.6
128.04826	0.8
131.04913	14.4
131.08571	1.1
131.19186	0.8
135.11697	0.8
137.05949	5.3
145.06483	13.5
149.05972	100.0
151.07549	1.7
159.08057	3.7
163.07529	40.0
177.09114	4.9
185.62631	0.7
227.86995	0.8
233.74721	0.8
239.73048	0.8
261.18463	27.8
278.08127	1.2
278.21140	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90559	0.7
52.90648	0.6
55.05508	1.5
57.07084	1.5
59.08885	0.7
64.15890	0.7
67.05515	7.4
67.82861	0.8
69.07060	1.9
72.56987	0.8
79.05473	2.8
81.07056	11.4
83.08616	1.6
91.05497	1.0
93.07032	4.9
94.07391	1.0
95.08603	12.8
99.93286	0.8
100.07613	0.7
100.44885	0.9
103.05473	3.4
103.35533	0.8
105.06992	1.1
107.08607	3.7
109.10165	7.0
114.09158	0.9
117.07020	4.1
119.08535	1.0
119.62268	0.8
121.10124	3.3
123.04434	3.4
123.11727	1.7
131.04932	14.4
131.08577	1.5
135.11693	3.7
137.05995	5.8
145.06473	12.1
145.10144	1.0
147.11626	0.9
149.05977	100.0
149.13242	3.2
151.07541	4.3
159.08054	3.7
163.07526	42.0
177.09119	5.6
193.98665	0.8
243.21072	1.1
260.20206	5.1
261.18509	32.0
261.22070	5.8
278.08041	6.3
278.21158	77.7
278.24567	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13155	0.6
53.73584	0.7
56.05039	1.9
57.07081	3.5
58.06615	7.2
58.06836	0.7
60.04488	0.7
67.94882	0.8
69.17144	0.8
71.08630	3.2
74.06075	4.8
80.76519	0.9
86.06084	6.5
88.07625	13.9
104.07096	6.4
105.80850	0.7
109.72466	0.7
118.08680	1.5
132.10187	3.9
136.06142	0.8
152.15396	0.8
162.11201	2.9
166.10771	5.2
186.18529	54.1
230.21169	19.2
252.58437	0.7
260.22214	1.2
278.08121	21.8
278.11023	1.5
278.23264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13155	0.6
53.73584	0.7
56.05039	1.9
57.07081	3.5
58.06615	7.2
58.06836	0.7
60.04488	0.7
67.94882	0.8
69.17144	0.8
71.08630	3.2
74.06075	4.8
80.76519	0.9
86.06084	6.5
88.07625	13.9
104.07096	6.4
105.80850	0.7
109.72466	0.7
118.08680	1.5
132.10187	3.9
136.06142	0.8
152.15396	0.8
162.11201	2.9
166.10771	5.2
186.18529	54.1
230.21169	19.2
252.58437	0.7
260.22214	1.2
278.08121	21.8
278.11023	1.5
278.23264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83470	0.5
55.98994	0.5
56.05042	2.6
57.07072	3.0
58.06606	6.4
59.04244	0.4
60.04530	0.7
60.58120	0.5
71.08635	1.5
74.06080	4.8
86.06081	4.6
88.07629	13.8
89.06056	1.0
90.95570	0.6
92.21532	0.7
100.07622	0.6
104.07117	4.4
116.99880	0.7
118.08634	0.8
132.10205	3.6
142.28650	0.7
162.11200	2.3
166.10742	4.1
168.31827	0.7
186.18527	57.3
204.11372	0.6
230.21155	19.7
251.43007	0.7
260.22195	1.0
278.08102	7.4
278.23257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2477
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
53.25328	2.4
53.41821	2.3
55.05503	10.4
56.52750	2.2
56.97751	2.5
57.07081	3.5
67.05511	70.4
69.07063	13.1
79.05489	15.0
81.07059	100.0
83.08618	13.5
86.06083	3.2
86.09712	3.5
91.05472	5.6
93.07037	28.8
95.08608	79.0
97.10159	4.9
99.08080	3.1
100.07639	4.0
105.07038	4.8
107.08582	26.1
109.06496	3.1
109.10168	46.6
114.09152	5.1
119.08558	5.4
121.10100	22.7
123.11722	30.8
128.10741	3.8
131.08546	5.5
133.10161	12.7
135.11711	25.1
137.05995	6.8
137.09596	3.0
137.13286	13.0
138.06358	11.4
142.12263	3.2
145.10098	10.3
147.11702	11.2
149.09682	2.8
149.13268	18.9
151.14862	4.9
153.12840	3.5
159.11679	5.6
161.13203	5.4
163.14809	17.4
173.13292	13.0
177.16324	5.2
184.07576	2.8
187.14827	6.4
194.15572	3.1
201.16409	3.3
243.20993	26.4
261.22165	55.9
278.18262	3.9
278.21982	5.8
278.24805	43.9
278.63736	4.3
289.61334	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2477
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
50.61581	1.9
52.13474	1.9
55.05513	11.4
57.07089	3.5
67.05179	4.3
67.05509	78.9
69.07073	16.1
73.52540	2.2
76.52905	2.2
79.05492	19.5
81.07066	100.0
83.05005	2.8
83.08608	12.4
85.41447	2.2
86.06083	2.9
91.05487	9.0
93.07043	35.5
93.75198	2.5
95.08614	83.7
97.06573	2.5
97.10149	10.4
100.07601	4.6
105.07043	9.7
105.52225	2.2
107.08590	29.3
108.08983	2.5
109.10159	49.1
111.08073	4.3
113.87239	2.7
114.09117	8.7
117.07039	3.1
119.07808	3.0
119.08586	14.1
121.10143	31.4
122.10503	2.4
123.08076	4.1
123.11729	30.9
128.10693	4.2
131.08569	11.2
133.10146	9.6
135.11700	28.1
137.09615	4.4
137.13235	9.7
145.10114	10.8
147.11707	9.4
149.13264	15.0
151.11148	2.7
151.14871	2.9
154.12355	3.1
156.13820	2.7
159.11681	11.2
161.13263	4.6
163.14833	12.8
173.13228	11.6
174.13736	3.1
175.14803	2.4
177.16339	9.7
187.14830	5.9
191.14398	3.0
243.21075	32.7
261.22150	71.4
278.08151	3.5
278.18808	2.8
278.21909	20.4
278.24786	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2476
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
50.55383	2.4
51.60863	2.0
55.05518	4.1
57.07082	5.5
58.42604	3.0
63.86909	2.6
65.55067	2.5
67.05513	73.1
69.07064	17.8
76.25102	2.7
79.05495	17.6
81.07062	100.0
81.07496	5.3
83.08632	13.1
85.06551	4.1
91.05464	5.1
93.07045	31.2
93.07536	4.0
95.08607	86.1
97.06540	3.4
97.10157	6.2
99.75764	2.9
105.07005	7.4
107.08598	29.5
109.10150	55.6
111.08058	5.9
114.09151	4.8
117.07011	3.7
119.08576	15.0
121.10133	35.7
123.08018	3.2
123.11707	27.0
128.10709	3.6
131.08548	15.7
133.10104	12.2
135.11703	26.8
137.09607	3.6
137.13274	12.9
142.12337	4.8
145.10123	7.3
147.11731	12.6
149.13261	19.3
149.92728	2.8
151.14856	5.3
154.12212	2.8
159.11668	12.7
161.13298	6.2
163.14882	22.5
170.15408	3.7
173.13300	13.2
177.16371	17.4
187.14815	5.9
233.18787	3.6
233.22636	4.3
243.21045	37.0
261.22134	66.2
278.24744	74.5
282.44427	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	3.0
57.03441	3.4
65.15891	2.8
66.89690	2.8
69.03433	5.3
70.06601	3.9
71.04964	4.3
72.69175	2.7
81.03397	5.5
84.08130	3.1
85.02910	21.1
87.04488	5.4
97.02909	6.6
99.04471	18.5
105.24610	2.9
117.05484	100.0
127.03958	3.7
149.02362	6.3
156.06581	4.9
193.06128	4.8
211.49712	3.5
232.95200	3.3
261.09674	3.1
261.14392	4.4
279.03784	19.5
279.09943	17.2
279.13391	18.9
279.16153	7.3
280.21985	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.9
66.34449	1.7
69.03435	2.5
73.02910	2.6
81.03439	2.2
85.02904	13.4
97.02888	3.5
98.97584	100.0
99.04436	8.3
110.97588	17.6
111.30695	1.9
116.98611	46.4
126.32672	1.6
127.03939	2.7
128.98607	17.5
134.99648	9.6
146.99641	7.0
158.99655	65.6
161.03033	1.9
169.03473	2.6
170.99644	18.6
177.00717	50.9
187.04552	2.6
189.00691	22.6
192.23016	1.7
195.01877	2.4
204.88893	1.9
207.01735	9.5
215.04082	2.1
219.01782	11.2
237.02773	8.3
238.62906	2.0
261.11639	3.9
275.06177	8.7
279.04437	20.7
279.09967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07194	4.3
74.07777	4.1
76.49081	4.2
78.48325	3.5
85.02908	19.0
97.02909	8.4
98.97575	34.1
99.04445	5.0
100.07645	5.5
100.52760	4.0
110.97575	4.6
116.00578	4.4
116.98626	8.0
158.99643	18.0
162.95605	9.7
177.00705	10.5
180.99287	4.6
189.00829	4.9
261.11652	9.7
262.08215	8.4
275.06107	18.2
279.04736	100.0
279.10849	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07194	4.3
74.07777	4.1
76.49081	4.2
78.48325	3.5
85.02908	19.0
97.02909	8.4
98.97575	34.1
99.04445	5.0
100.07645	5.5
100.52760	4.0
110.97575	4.6
116.00578	4.4
116.98626	8.0
158.99643	18.0
162.95605	9.7
177.00705	10.5
180.99287	4.6
189.00829	4.9
261.11652	9.7
262.08215	8.4
275.06107	18.2
279.04736	100.0
279.10849	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19286	0.2
51.66851	0.3
55.01853	0.3
55.05194	0.2
67.05492	0.4
68.99770	0.6
70.43167	0.3
81.07057	0.5
86.09696	2.5
99.04462	2.3
105.68206	0.3
120.08067	2.8
125.25606	0.3
138.62570	0.3
147.04372	0.5
149.02318	1.3
152.06210	2.1
162.05495	1.3
165.06966	1.4
167.04910	4.3
167.08530	3.2
168.05617	0.5
177.06969	1.1
178.07758	0.4
179.08554	0.4
180.05693	4.6
183.08067	0.4
191.04890	0.6
192.05685	0.4
193.06427	2.8
195.04390	3.0
195.08070	4.2
198.57051	0.3
205.06485	1.3
208.05182	9.6
219.04367	0.7
221.05952	6.4
223.07520	14.3
223.09685	0.5
226.79033	0.3
229.13332	3.1
233.06010	0.7
236.04645	10.5
237.05461	0.4
239.07040	1.3
249.05457	2.3
250.06314	0.5
251.06998	37.7
264.04123	0.7
269.08118	2.3
279.06503	100.0
279.11127	26.5
279.16873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.065
Annotation	Pongaglabol
Peak:m/z	Relative Intensity
50.19286	0.2
51.66851	0.3
55.01853	0.3
55.05194	0.2
67.05492	0.4
68.99770	0.6
70.43167	0.3
81.07057	0.5
86.09696	2.5
99.04462	2.3
105.68206	0.3
120.08067	2.8
125.25606	0.3
138.62570	0.3
147.04372	0.5
149.02318	1.3
152.06210	2.1
162.05495	1.3
165.06966	1.4
167.04910	4.3
167.08530	3.2
168.05617	0.5
177.06969	1.1
178.07758	0.4
179.08554	0.4
180.05693	4.6
183.08067	0.4
191.04890	0.6
192.05685	0.4
193.06427	2.8
195.04390	3.0
195.08070	4.2
198.57051	0.3
205.06485	1.3
208.05182	9.6
219.04367	0.7
221.05952	6.4
223.07520	14.3
223.09685	0.5
226.79033	0.3
229.13332	3.1
233.06010	0.7
236.04645	10.5
237.05461	0.4
239.07040	1.3
249.05457	2.3
250.06314	0.5
251.06998	37.7
264.04123	0.7
269.08118	2.3
279.06503	100.0
279.11127	26.5
279.16873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82803	0.3
66.63150	0.3
67.05526	0.3
68.99764	0.4
86.09707	0.6
90.21087	0.3
120.08120	1.4
135.64268	0.3
149.02385	0.3
152.06194	3.0
161.74097	0.3
165.05742	0.4
165.06963	3.6
167.04921	4.6
167.08553	2.2
177.06996	0.6
179.05029	0.4
180.05682	4.7
183.08041	0.6
190.56526	0.3
191.04878	0.8
192.05647	0.3
193.06485	3.5
195.04454	3.6
195.08083	2.6
205.06483	0.7
208.05183	10.0
219.04489	0.6
221.05965	8.3
223.07526	15.3
229.13292	1.7
236.04704	11.1
237.05334	0.5
239.06985	1.4
249.05511	2.1
250.06050	0.5
251.07018	41.1
264.04184	1.5
269.08069	1.4
279.06516	100.0
279.10944	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0861
Annotation	Coumarleucasin
Peak:m/z	Relative Intensity
55.01862	0.8
57.03433	2.1
61.02946	1.8
62.97551	0.4
67.40784	0.4
68.99804	0.6
69.03446	4.5
71.04997	11.3
73.02908	0.8
81.03416	2.5
85.02912	25.4
87.04464	2.7
91.03977	1.0
94.55997	0.5
97.02892	7.6
99.04453	18.8
109.02875	2.2
111.04443	0.9
117.05492	100.0
121.06520	0.8
122.49459	0.5
127.03941	5.2
131.04924	0.6
131.22043	0.5
133.06456	0.8
137.69904	0.5
145.04947	4.6
145.06508	3.0
147.04451	2.1
149.02338	3.3
154.02621	2.4
161.06108	0.6
163.03876	3.5
163.05942	0.8
164.04550	0.7
169.04962	5.5
170.05717	0.8
173.06004	2.1
174.63451	0.5
177.05463	2.6
189.05457	2.1
190.06339	0.5
191.07047	1.8
192.04205	1.0
193.04863	0.6
200.04700	0.8
201.05515	1.1
205.04971	0.7
207.06532	5.4
214.10675	0.6
218.05721	1.1
219.06422	0.8
221.08093	0.6
229.05019	1.0
231.02954	1.1
233.08119	5.3
235.06065	2.2
237.07455	1.0
246.05264	0.9
247.06073	2.4
261.07550	7.0
261.12170	0.5
279.08530	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0861
Annotation	Coumarleucasin
Peak:m/z	Relative Intensity
55.01880	2.8
57.03449	2.3
68.82833	2.7
85.02908	4.7
91.20979	2.5
99.04468	6.1
103.05464	2.4
105.07014	3.4
109.02854	4.3
111.04437	10.3
112.87886	2.4
115.05489	3.8
117.05487	9.9
117.07017	4.2
119.04936	3.0
124.30072	2.6
131.04890	4.5
133.06514	5.6
141.05478	3.0
145.06471	16.2
147.04416	16.3
154.02596	15.7
158.99231	2.7
159.04390	3.5
161.06032	9.3
163.07475	3.3
169.04973	38.6
170.05659	4.1
173.05968	15.3
175.03938	2.9
176.04811	3.7
177.05460	17.7
185.40150	2.5
187.03917	6.1
189.05469	13.6
190.06258	9.6
191.07019	5.6
191.08603	4.6
192.04202	5.2
193.04970	13.7
200.04764	4.5
201.05487	15.5
205.04849	3.6
207.06497	29.6
208.08859	4.4
209.08083	9.2
218.05736	5.8
219.06470	13.1
219.08168	11.1
221.07983	4.2
228.04062	2.9
229.04915	11.3
231.02867	10.6
233.07933	26.1
235.05960	15.0
236.08345	24.9
237.07500	4.2
246.05290	3.1
247.06026	11.5
251.10640	17.1
261.07510	54.5
279.08197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0931
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
50.06926	0.3
52.49245	0.3
56.15288	0.3
57.07076	0.5
57.20705	0.3
58.52181	0.3
60.92914	0.3
61.98571	0.3
67.05493	2.3
69.07067	0.6
70.06807	0.4
71.30077	0.3
79.05499	0.5
79.64736	0.3
81.07055	3.7
82.07399	0.4
83.08615	0.4
85.49146	0.3
88.01611	0.4
93.07023	1.4
95.08597	3.1
96.36578	0.3
107.08605	0.7
109.10137	1.6
121.10154	0.6
131.08585	0.5
137.30412	0.3
147.11691	0.4
149.02342	2.0
149.09622	0.4
173.05150	0.8
174.15012	0.4
187.99434	0.4
201.04651	9.3
216.53009	0.4
219.05690	42.5
262.22501	0.5
279.09323	100.0
279.23224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1071
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
53.03956	4.5
57.03442	0.6
59.43502	0.1
61.02924	0.3
69.03435	2.6
70.06583	0.3
71.04993	1.6
72.64476	0.1
73.02895	0.3
81.03423	10.5
85.02906	7.9
87.04488	0.2
94.10942	0.2
95.44497	0.1
97.02901	2.5
98.06055	1.0
99.04456	100.0
107.47535	0.1
109.02889	1.9
116.07069	1.1
117.05489	10.4
127.03902	2.9
145.04942	1.6
149.02354	0.9
200.74234	0.2
243.08759	0.9
261.09729	0.8
264.08881	1.2
279.08853	0.7
279.11420	0.5
279.13776	0.2
279.17786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1072
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
53.03965	4.4
55.01910	0.4
57.03439	0.5
68.24525	0.4
69.03432	4.7
70.06593	0.9
71.04988	2.4
73.02932	0.6
81.03423	10.9
85.02912	7.8
97.02891	4.0
99.04458	100.0
103.80222	0.4
109.02850	1.9
115.95840	0.4
117.05489	9.1
127.03935	3.0
145.04984	1.8
149.02391	1.0
152.07056	1.0
173.07130	1.4
174.05363	0.5
188.96338	0.5
191.04593	0.5
219.07649	0.5
219.13089	0.5
243.08588	0.8
261.09521	0.4
279.10016	2.5
279.13486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97382	0.2
52.83401	0.2
53.03960	3.8
55.05511	1.0
56.29431	0.2
61.02925	0.5
69.03172	0.2
69.03435	3.1
70.06595	0.5
71.04995	2.1
73.02929	0.4
81.03426	10.5
82.23170	0.2
85.02908	8.4
87.04524	0.3
95.28417	0.2
97.02888	2.8
99.04457	100.0
109.02884	2.0
116.19898	0.3
117.05489	14.8
127.03899	3.3
145.04967	2.3
149.02325	1.4
152.07051	0.6
168.81572	0.3
227.97424	0.3
243.08624	0.9
261.09628	0.4
279.10104	2.0
279.13489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1073
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
53.03942	0.5
53.29816	0.4
55.05517	15.0
56.26463	0.3
69.03418	0.9
71.04988	2.1
72.54216	0.3
81.03405	0.6
85.02901	0.9
87.04462	2.0
97.02887	0.6
99.04446	7.0
109.02949	0.4
110.02736	3.3
117.05486	100.0
137.08649	0.3
149.02376	3.5
152.60017	0.3
157.68596	0.5
163.03854	0.5
184.61832	0.4
189.25163	0.4
202.80424	0.4
208.06354	3.7
256.36053	0.4
279.10150	2.8
279.13443	2.1
279.16745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37185	0.3
53.03946	0.4
55.01868	0.8
56.89610	0.4
57.03434	2.6
61.02921	2.0
61.97731	0.4
62.56836	0.3
65.33768	0.4
69.03436	3.9
71.04639	0.6
71.05000	9.7
81.03429	0.9
85.02905	23.9
87.04468	2.2
91.03949	1.0
97.02895	5.4
99.04459	13.2
109.02869	2.3
117.05492	100.0
127.03930	4.0
128.85753	0.5
135.06519	0.6
145.04959	4.5
145.06522	0.5
149.02341	3.1
154.02654	0.5
163.03934	0.8
163.05946	0.5
164.04204	0.7
191.07173	0.5
193.04857	0.5
207.06514	0.9
233.08142	0.5
247.10728	1.5
279.08847	2.3
279.13211	0.8
304.14261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39957	0.3
55.05517	0.4
56.31473	0.3
57.03435	2.2
61.02921	2.1
66.84555	0.3
69.03437	4.2
71.04993	9.9
73.02905	1.6
81.03413	1.6
81.07057	0.5
85.02907	23.6
87.04475	2.7
91.03943	0.7
93.51232	0.4
97.02879	5.7
99.04458	13.0
107.04983	0.4
109.02892	2.6
117.05491	100.0
127.03899	4.5
132.61847	0.4
145.04979	3.7
149.82484	0.4
163.03883	0.6
179.04306	0.4
203.11835	1.7
247.10829	0.9
279.10580	0.5
279.13455	1.3
279.17239	0.6
289.30533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84761	0.2
55.85038	0.2
57.16389	0.2
60.53518	0.2
61.42786	0.3
73.98086	0.2
78.13873	0.2
99.69257	0.2
112.65864	0.2
122.76031	0.3
141.75670	0.2
221.08296	1.7
223.07552	0.3
233.08264	0.5
234.09058	0.2
236.10713	1.5
247.09995	1.4
248.07018	1.6
249.07826	7.7
264.10181	36.6
278.11722	3.7
279.12537	100.0
302.06543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1337
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
57.62379	0.6
65.42053	0.6
66.16557	0.6
70.06232	1.3
70.06592	22.2
72.62090	0.6
76.76951	0.6
81.07063	0.8
91.05479	7.7
99.04465	2.5
114.05515	3.5
116.07093	82.2
116.98690	0.8
119.04940	10.8
121.06536	0.8
136.07579	100.0
139.13623	0.7
147.04419	3.8
149.02342	7.2
202.03166	3.6
262.10703	3.0
279.08090	3.4
279.10385	1.5
279.13403	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
52.92581	0.4
54.85678	0.4
55.01869	0.4
56.05038	0.4
67.05502	0.6
69.03438	0.9
69.07070	14.2
70.06591	2.5
71.04979	0.9
81.03435	0.7
81.07081	0.7
85.02917	0.8
86.09706	100.0
93.07023	0.7
97.02876	0.6
99.04456	11.3
111.11732	2.8
116.10632	0.4
116.21822	0.5
117.05466	0.8
120.08106	5.9
121.06504	4.8
122.06828	0.6
129.12752	2.2
147.04385	1.1
149.02315	3.7
160.83736	0.6
166.08627	4.3
177.05481	0.8
191.08565	0.7
205.06508	0.6
219.08084	0.8
219.11526	0.5
236.08340	0.6
251.10611	1.0
268.90958	0.4
279.06564	1.0
279.10190	2.2
279.14075	0.8
279.17001	10.1
282.80563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.05526	26.1
55.05748	2.6
55.18070	3.1
57.07078	14.4
67.05512	70.7
68.05839	4.9
68.97381	2.9
69.03458	3.3
69.07072	54.7
70.07441	3.0
71.08641	5.8
75.88676	3.3
79.05500	6.2
81.07061	100.0
82.07397	7.8
83.04983	6.4
83.08609	26.4
85.10170	4.4
91.05502	5.4
92.78266	2.9
93.07052	40.0
95.08607	77.4
96.08947	7.1
99.08119	6.0
105.07070	4.8
107.08598	43.9
109.06551	6.9
109.10169	41.2
110.10493	4.5
111.04444	50.3
111.08086	8.2
113.06016	3.4
119.08572	3.8
121.10157	32.9
123.08073	19.0
123.11691	28.8
125.05984	31.0
125.09650	4.6
127.07600	3.3
131.08580	13.8
133.10139	14.7
135.08064	17.9
135.11687	22.1
136.11983	3.7
137.13254	7.6
145.10159	13.8
147.11705	4.3
149.02333	5.8
149.09619	7.5
149.13261	22.1
151.11153	6.4
159.11685	14.5
161.13399	5.1
163.11198	19.8
163.14792	6.9
164.15132	4.2
173.13220	3.9
177.12767	20.5
177.16322	4.2
181.12230	8.1
191.14412	5.5
195.13857	14.7
205.19540	6.8
209.15463	4.9
215.18065	6.3
233.19061	30.8
241.51628	4.1
244.21465	7.5
251.20015	67.1
261.57648	3.6
262.22482	18.2
279.19553	55.2
279.23114	22.8
279.25638	4.8
297.20670	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
57.07073	2.2
57.10917	1.1
62.23158	1.0
65.36581	1.2
67.05506	18.0
69.07048	6.0
79.05508	9.7
80.05831	1.9
81.06699	1.2
81.07066	20.3
83.08609	4.9
83.59776	1.1
91.05444	2.0
93.07049	8.5
95.08611	19.2
97.06509	1.9
97.10146	1.4
105.06998	7.2
107.04917	1.6
107.08591	10.3
109.06445	1.7
109.10168	12.2
117.06992	2.2
119.08588	4.3
121.10122	7.8
123.11701	1.4
131.08517	5.0
133.10110	7.3
135.08035	1.5
135.11714	1.9
143.08551	1.9
145.10127	5.0
147.11664	1.9
149.02347	11.6
149.13289	2.8
155.08618	3.9
157.10091	5.6
159.11688	4.3
162.13579	1.5
169.10104	4.3
171.11647	5.1
181.10052	5.1
183.11681	7.0
185.13187	2.2
191.14168	1.3
195.11674	12.1
197.13275	9.4
199.14899	1.6
209.13271	10.9
211.14784	5.3
219.05635	1.5
223.14786	21.0
223.16737	1.8
224.15720	1.2
233.15372	1.5
235.14769	2.3
237.16472	8.3
250.17126	4.9
251.17917	2.5
261.14789	1.9
261.18564	1.6
262.22437	1.3
279.09171	7.0
279.15991	5.2
279.21011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.88143	1.5
52.10699	1.5
55.05514	10.8
56.47353	1.4
57.07073	7.3
67.05511	88.6
69.07061	10.5
71.08622	3.6
79.05489	9.5
81.07063	100.0
83.08617	10.0
84.88972	1.4
85.10180	1.8
89.85390	1.9
91.05478	7.8
93.07045	14.1
93.77412	2.0
95.08610	86.4
97.10178	2.3
102.21091	1.8
105.07040	4.0
107.08584	6.7
109.10165	39.6
109.14349	1.9
119.08578	3.4
121.10133	10.4
123.11700	15.8
131.08583	6.9
133.10167	2.9
135.11687	9.3
137.13255	11.8
145.10118	2.3
147.11702	4.3
149.02339	21.2
149.13249	3.9
151.14807	2.5
159.11774	2.2
159.20775	1.9
161.13338	1.9
163.11234	2.0
163.14813	1.8
173.13220	4.0
187.09840	1.6
193.86546	1.7
195.13646	2.2
212.51753	1.9
223.16991	2.0
261.22021	3.4
279.23163	48.8
286.29660	1.9
303.24509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05518	9.1
57.07075	2.9
62.52677	2.2
67.05181	4.6
67.05511	85.0
69.07065	11.8
71.82208	1.9
76.52978	2.2
79.05511	5.6
81.07059	100.0
83.08609	5.4
93.07046	14.3
95.08604	97.1
107.08585	12.2
109.10158	28.8
119.08616	3.5
121.10149	9.7
121.17889	2.2
123.11691	15.0
131.08524	3.3
135.11710	5.2
137.13280	9.1
147.11713	2.3
149.02287	20.2
149.09596	2.7
151.14743	3.0
173.13264	10.0
177.12764	2.5
177.16325	2.5
181.12277	3.0
187.14888	2.8
209.15300	3.2
243.20964	3.0
279.23074	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
53.19513	2.2
53.47021	2.7
55.01877	6.2
55.05518	15.7
56.37128	2.4
57.07072	14.6
67.05512	92.2
67.75916	2.6
68.05834	3.1
69.07066	30.2
71.08624	11.9
79.05503	18.3
81.06617	4.6
81.07067	100.0
81.07549	3.5
82.07398	3.3
83.05002	4.1
83.08615	14.8
85.06554	3.7
91.05473	6.6
93.07040	32.6
95.05020	3.3
95.08606	83.1
96.08903	3.4
97.06556	6.3
97.10181	5.7
99.08092	6.3
105.07047	5.2
107.08607	18.3
109.10157	41.9
110.10482	4.6
119.08577	11.1
121.10165	23.9
123.11703	32.9
131.08588	6.1
133.10167	4.5
135.11691	20.7
137.13293	13.0
140.04582	2.9
145.10080	4.2
147.11716	3.8
149.02356	22.6
149.13287	4.5
153.12698	4.0
163.14883	2.9
171.28889	2.9
173.13234	4.0
195.13847	3.4
227.36046	3.0
239.75421	2.7
260.36191	2.8
261.22064	14.4
262.22406	9.9
279.23077	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.76671	1.3
55.05507	6.6
55.28585	1.4
57.07073	1.5
61.32720	1.4
66.50476	1.3
67.05509	85.3
69.07067	9.5
79.05502	7.4
81.07061	100.0
83.08620	2.6
93.07037	11.5
95.07996	3.1
95.08605	88.0
107.08614	8.7
109.10155	45.9
117.06963	1.5
119.08591	3.1
121.10123	7.8
123.08042	2.2
123.11706	25.1
131.08563	2.4
133.10129	1.9
135.11717	6.4
137.13269	10.1
145.10129	1.9
147.11629	2.1
149.02365	2.3
149.09570	2.1
159.11700	2.1
163.11118	1.7
163.14841	2.0
173.13345	2.5
187.14827	2.2
206.30531	1.6
209.15286	1.7
260.33005	1.5
261.22153	2.2
279.15921	1.6
279.23193	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
55.05512	7.0
57.07108	1.6
64.43520	1.5
65.03944	1.5
67.05512	44.3
68.97355	1.6
69.07064	8.3
71.08637	19.9
79.05482	13.0
81.07066	92.9
81.07557	3.0
83.08627	9.1
91.05493	2.3
91.06024	1.5
93.07027	8.4
95.08609	100.0
97.06554	1.8
99.08087	15.9
105.07036	2.4
107.08597	3.4
109.10163	34.8
113.67510	1.7
119.08634	2.4
121.10168	7.9
123.11703	11.1
135.11714	3.2
137.13257	2.0
147.11691	13.2
151.11057	1.8
161.13248	2.6
163.14807	1.9
165.12761	2.1
173.13307	2.3
239.74706	1.7
261.22144	4.0
276.92593	1.7
279.23169	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
55.01871	17.6
55.05526	26.8
57.07070	9.4
67.05511	60.7
69.03446	2.8
69.07074	35.5
71.05022	2.2
79.05508	20.8
79.21534	2.4
81.06615	4.6
81.07063	85.0
83.04987	5.8
83.08609	10.7
85.06534	10.6
93.07050	28.6
95.08617	73.4
97.06541	9.4
97.10130	8.5
105.07040	2.8
107.08598	21.8
109.10162	34.1
109.26304	2.1
119.08585	3.7
121.10129	25.6
123.11700	15.5
125.09631	19.3
131.08582	9.3
131.64275	2.2
133.10101	3.9
135.11719	16.3
137.13269	9.6
145.10130	3.5
151.14819	3.6
161.13237	4.2
163.14729	3.2
195.13782	2.7
209.15459	2.3
251.23766	3.0
261.22122	11.8
279.23181	100.0
283.04138	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.97554	1.3
55.05512	9.9
57.07086	100.0
59.05254	1.6
67.05514	76.9
69.07066	11.4
71.04966	2.0
77.97446	1.5
79.05500	12.5
81.07064	73.5
83.08602	7.5
85.06525	2.0
91.05457	6.6
93.07059	13.7
95.04949	2.2
95.08610	80.3
97.06554	2.4
97.10182	1.8
97.60174	1.7
105.07027	2.8
107.08609	14.1
109.10165	46.5
117.06964	1.5
119.08560	7.9
121.10137	10.3
123.11708	19.9
127.11196	33.7
127.12069	3.0
131.08574	3.4
133.10086	7.1
135.11720	16.5
137.09625	3.4
137.13210	2.3
145.10135	1.6
147.11674	2.7
153.12784	2.8
169.12253	18.3
173.13197	2.1
188.95276	1.9
189.75757	1.6
223.16899	2.1
261.22137	7.3
262.22427	1.8
279.23114	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.57553	1.5
55.01867	11.2
55.05519	11.0
57.07080	10.7
60.78481	2.2
67.05507	83.5
67.69718	2.0
68.14995	2.3
69.07066	24.5
70.10558	1.8
71.04987	2.5
71.08640	2.8
79.05501	18.2
81.07061	100.0
83.05011	3.5
83.08632	8.3
85.06543	2.8
91.05456	2.3
93.07040	18.2
95.08602	82.5
95.09197	3.9
97.06532	3.2
97.10169	3.7
105.07052	2.6
107.08591	13.1
109.10163	37.0
117.06984	2.3
119.08556	4.6
121.10143	19.5
123.11695	16.8
127.11201	2.7
131.08554	5.4
133.10094	4.4
135.11691	14.0
137.13260	4.9
139.11156	3.9
145.10098	8.0
147.11591	2.1
149.09631	3.0
149.13289	3.5
151.14804	2.3
173.13176	3.0
174.64032	2.4
187.14825	3.2
217.90027	2.1
232.16646	2.0
233.06094	2.6
261.22186	2.6
279.23132	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.09409	1.8
55.01879	15.6
55.05521	19.9
57.07081	4.7
67.05515	89.4
69.07074	39.2
77.58059	2.2
79.05499	14.9
81.07069	100.0
81.42673	2.4
83.04989	3.7
83.08633	23.3
84.42583	2.1
85.06544	3.1
85.39874	2.3
91.05473	3.8
93.07037	25.4
95.08615	82.1
97.06524	5.7
97.10178	5.4
99.08115	2.6
105.07039	3.4
107.08585	21.9
109.10152	30.2
119.08611	3.7
121.10163	18.3
123.11689	10.2
131.08578	10.1
135.08026	2.9
135.11742	16.8
137.13283	11.7
137.88251	2.8
145.10144	3.7
149.09657	2.9
151.14903	3.1
152.57552	2.5
153.12813	17.7
159.11742	3.4
163.14835	3.3
167.53188	2.4
233.22758	3.4
243.21066	8.9
252.70020	2.6
261.22153	11.6
271.02518	2.7
279.23175	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.33385	1.2
55.01889	1.9
55.05508	7.2
57.07069	3.0
67.05510	81.6
69.04795	1.4
69.07069	13.2
70.54465	1.4
71.04989	1.6
79.05505	10.6
81.07061	100.0
83.08639	10.9
91.05480	2.2
93.07051	15.6
95.08607	86.8
97.06519	2.8
97.10191	2.4
105.07034	3.2
105.30963	1.5
107.08607	13.8
109.10159	34.3
121.10139	10.5
123.11695	13.4
123.18783	1.5
131.08589	3.7
133.10104	2.5
135.11665	10.4
137.13266	10.7
145.10123	1.8
147.11620	2.0
149.02315	2.5
149.09625	2.4
149.13274	6.2
151.14876	1.7
153.12750	2.9
159.11684	3.4
173.13232	3.2
191.14223	1.7
195.13849	3.0
209.15332	2.2
214.44119	1.7
223.16951	2.1
243.21021	1.8
261.22128	3.5
262.22742	2.1
279.23074	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.01871	3.4
55.05518	12.2
55.09804	1.2
57.07083	8.0
57.54901	1.3
67.05514	82.0
67.18776	1.4
69.07079	16.3
71.08656	1.6
79.05493	16.8
81.07066	100.0
83.04981	10.5
83.08624	15.2
83.20222	1.5
84.68026	1.3
85.06525	2.0
91.05484	2.9
93.07045	20.0
95.08613	93.8
97.06544	5.5
97.10169	3.6
103.75700	1.4
105.07021	3.5
107.08612	17.3
109.06504	3.2
109.10161	28.4
111.08094	3.2
119.08603	2.3
121.10161	17.1
123.08085	2.0
123.11722	15.7
125.06007	1.6
125.18201	1.4
131.08553	5.9
133.10127	5.5
135.08072	1.7
135.11719	14.5
137.09595	2.2
137.13271	14.9
145.10149	3.3
147.11703	2.7
149.02307	1.7
149.09663	3.0
149.13286	9.8
151.14864	5.9
159.11691	5.9
161.13289	1.6
163.11203	5.9
163.14761	2.0
167.14264	3.1
173.13258	7.9
177.12805	2.3
177.16516	1.4
195.13821	6.1
205.15915	2.7
209.15369	6.1
223.16954	2.2
223.20552	5.2
233.22603	5.4
238.12634	1.6
243.21091	6.3
250.31482	1.6
251.20111	1.6
261.22156	9.2
279.19678	7.4
279.23193	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
55.01871	7.6
55.05517	15.6
57.07080	10.2
59.92499	1.7
67.05508	82.0
69.03493	1.6
69.07073	25.7
71.08643	4.0
79.05496	18.7
81.07063	100.0
81.63721	1.6
82.07431	1.9
83.04976	4.4
83.08631	18.7
85.06538	3.1
91.05482	3.2
93.07037	25.6
95.08608	82.9
97.06537	3.2
97.10204	3.6
99.08075	2.8
105.07030	4.4
107.08595	24.8
109.10152	44.8
110.10464	2.1
111.08083	2.8
111.11720	2.2
119.08566	9.1
121.10120	13.1
123.11713	24.3
125.09657	1.9
131.08575	7.1
133.10156	7.2
135.11728	13.0
137.13272	12.9
145.10110	7.6
149.02345	15.9
149.09508	2.3
149.13228	7.9
151.14845	3.0
153.12766	12.9
159.11642	2.8
161.13232	2.8
163.11186	2.9
163.14786	3.5
173.13249	3.8
179.14363	2.7
187.14937	2.2
195.13730	2.8
209.15381	2.6
218.14044	2.1
219.21182	2.7
223.16913	3.6
243.21262	2.5
261.22159	12.5
262.22522	2.2
279.23181	71.9
279.25919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.21635	1.7
55.05516	7.8
57.07082	75.2
62.82983	1.8
66.01024	1.8
67.00746	1.6
67.05510	83.3
69.07052	13.3
71.05081	1.9
71.08630	59.1
77.67004	1.9
79.05492	19.6
81.07059	100.0
83.08626	10.4
84.93286	1.7
85.06532	4.3
91.05465	3.5
92.21446	3.2
93.07041	23.1
95.08604	88.0
96.41685	1.9
97.10131	3.7
105.07043	3.3
107.08589	3.8
109.10148	35.5
113.09680	2.1
119.08559	2.2
121.10133	26.5
123.08051	5.0
123.11695	20.3
131.08582	4.3
133.10165	6.6
135.11690	9.3
137.13257	8.7
141.12752	38.0
145.10104	2.4
147.11723	2.1
149.09592	4.1
149.13202	4.1
151.14830	3.7
159.11754	2.6
161.13242	4.1
173.13255	2.7
181.15813	3.0
183.13763	4.0
200.47032	2.3
233.22578	3.3
243.20935	3.4
261.22055	13.4
266.09644	2.1
279.20126	2.9
279.23145	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
50.12496	2.3
52.43436	1.9
55.01884	58.6
55.05510	23.8
57.03444	3.8
57.07079	15.4
59.35609	2.1
67.05169	4.5
67.05505	64.7
69.07068	100.0
71.04985	2.8
71.08608	4.2
79.05489	27.8
81.07056	74.1
82.67641	2.8
83.04977	15.5
83.08627	60.7
85.06539	5.4
85.10143	3.7
91.05498	4.3
92.20955	3.1
93.07037	47.4
95.08599	63.0
97.06520	16.9
97.10149	10.8
107.08597	35.5
109.10164	32.1
111.08043	5.0
111.11692	3.3
119.08566	3.5
121.10155	28.9
123.11681	11.3
125.09583	3.1
127.21220	2.8
131.08542	5.1
133.10164	4.5
135.08006	2.8
135.11676	32.0
137.13297	5.4
145.02303	2.3
145.10136	4.0
147.11632	3.7
149.02318	16.1
149.09627	3.4
149.13242	14.1
153.09126	2.3
153.12733	65.9
159.11676	3.2
163.14876	4.1
164.42093	2.4
177.12807	3.2
181.15823	6.2
189.23314	2.6
219.20993	3.4
233.22725	3.1
243.21043	4.2
261.22122	16.1
279.23148	56.8
279.26785	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
79.18545	0.7
80.07546	0.8
97.02933	1.1
100.06787	0.8
102.00909	3.4
116.98604	10.8
119.01937	8.2
120.01989	11.1
134.99612	15.6
140.00061	1.3
143.01884	4.0
144.02003	12.0
158.01184	4.3
161.02959	6.3
162.01659	1.3
162.03087	18.7
174.03050	1.5
176.04855	0.9
177.00931	3.3
178.01070	1.8
178.02562	1.8
181.00134	4.8
193.00160	0.8
211.01166	1.9
213.07365	0.9
215.95576	1.6
216.01804	3.5
216.88116	0.8
228.96840	1.6
238.95351	12.5
238.97673	1.1
256.96533	100.0
261.96945	5.5
262.04755	6.7
268.49063	1.0
274.97617	32.7
279.98199	48.6
280.05716	11.1
297.99152	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05852	1.4
69.07107	1.4
70.02945	9.7
70.70850	1.5
72.08162	1.9
86.09716	1.9
87.05596	45.9
91.05485	37.8
98.02410	1.6
99.64537	1.7
103.05502	8.0
107.04944	6.7
120.08119	53.1
121.64140	1.7
130.06534	11.0
131.04913	17.2
143.24893	1.9
147.09126	2.1
149.05951	6.9
154.04974	2.5
157.06480	6.2
166.06126	3.2
166.08612	20.9
172.07576	17.5
175.08673	77.4
182.06006	19.1
200.05212	3.6
200.07080	100.0
203.08113	2.3
208.49988	1.8
217.09781	3.8
221.09221	38.2
228.06519	2.3
234.12425	10.2
245.09218	3.5
246.07588	48.8
263.10257	30.7
280.12918	17.5
282.89093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1291
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
53.05852	1.4
69.07107	1.4
70.02945	9.7
70.70850	1.5
72.08162	1.9
86.09716	1.9
87.05596	45.9
91.05485	37.8
98.02410	1.6
99.64537	1.7
103.05502	8.0
107.04944	6.7
120.08119	53.1
121.64140	1.7
130.06534	11.0
131.04913	17.2
143.24893	1.9
147.09126	2.1
149.05951	6.9
154.04974	2.5
157.06480	6.2
166.06126	3.2
166.08612	20.9
172.07576	17.5
175.08673	77.4
182.06006	19.1
200.05212	3.6
200.07080	100.0
203.08113	2.3
208.49988	1.8
217.09781	3.8
221.09221	38.2
228.06519	2.3
234.12425	10.2
245.09218	3.5
246.07588	48.8
263.10257	30.7
280.12918	17.5
282.89093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62953	0.7
59.49126	0.9
67.16020	0.9
70.02955	7.4
82.60841	0.9
84.08166	1.2
87.05592	46.2
89.56899	1.0
91.05479	34.2
98.02428	1.8
99.12475	1.0
103.05469	8.6
107.04947	5.3
120.08106	55.3
129.10124	0.9
130.06494	8.6
131.04936	14.9
144.08066	1.9
147.09166	1.6
149.05983	6.3
154.05022	1.6
157.06467	6.5
163.36000	0.9
166.06096	1.7
166.08620	21.3
172.07520	10.9
175.08662	79.3
182.06010	15.4
184.50664	0.9
189.10193	4.0
200.07066	100.0
203.08162	4.2
214.76277	0.9
217.09634	4.2
217.26433	0.9
221.09190	31.0
226.21344	0.9
228.06636	3.4
234.12303	8.2
237.03336	1.0
245.09113	8.3
246.07619	41.1
262.11829	3.9
263.10263	23.8
280.09808	1.6
280.12756	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05512	3.2
55.63458	0.7
57.03434	1.0
59.04995	3.4
69.03433	6.3
72.08156	32.6
84.08147	17.1
85.02896	8.4
86.06095	0.8
86.09695	1.0
87.03207	3.9
97.02892	7.6
98.06056	3.4
99.04428	1.4
101.06024	17.5
102.09171	11.8
111.04483	0.8
112.03953	3.4
114.09145	5.0
118.08657	16.6
127.03923	9.0
130.08638	28.7
139.92773	0.8
143.04741	0.9
143.05756	7.0
145.04912	1.0
150.09119	5.2
154.08646	1.9
156.10190	1.5
156.88814	0.9
160.09686	1.2
161.06816	6.5
168.10156	1.1
180.10214	1.7
196.09708	11.8
198.11249	16.7
216.12296	66.5
234.13353	7.3
244.11778	44.6
259.92004	0.8
261.62253	0.8
262.12839	100.0
280.11215	0.9
280.14102	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11791	1.4
51.64364	1.5
55.05522	1.9
56.49650	1.5
69.03430	3.3
72.08157	30.6
81.78808	2.0
84.08133	13.6
85.02914	9.7
95.06074	1.8
97.02919	4.3
98.06046	4.4
99.04471	4.1
101.06031	25.1
102.09189	9.9
110.02709	3.6
112.03957	2.3
114.09182	3.2
116.07060	1.7
117.05486	10.7
117.28603	1.7
118.05850	6.5
118.08633	14.9
126.09125	2.2
127.03916	6.8
128.07076	1.8
128.62924	1.7
130.08647	29.9
137.78317	1.6
143.05777	10.0
150.09204	7.5
152.10638	1.8
161.06866	3.2
164.07062	3.9
176.07053	9.5
180.10284	2.1
194.08134	1.6
196.09647	14.6
198.11287	16.9
198.82297	1.8
209.06870	2.6
211.04602	2.9
216.12312	66.6
225.02496	2.3
234.06015	13.1
234.13345	8.3
239.04013	4.4
244.11809	52.2
252.07135	8.6
262.05554	2.5
262.12857	100.0
280.11713	10.8
280.13922	10.5
280.16763	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45509	1.0
54.77548	1.5
55.05523	1.6
57.01133	0.9
63.09009	1.0
63.14300	1.1
64.67883	1.1
67.02065	1.1
69.03428	6.4
70.06562	1.6
70.59585	0.9
72.08157	35.5
73.02909	2.0
82.06651	1.6
84.04509	2.1
84.08144	22.1
85.02893	11.0
86.06061	5.8
86.09758	1.0
87.03211	2.0
87.04456	11.5
97.02895	29.1
98.06058	11.6
99.04468	1.9
101.06039	4.5
102.09187	10.9
104.07159	1.6
112.03975	2.7
112.07630	1.6
114.09188	6.0
116.07068	1.6
118.08662	19.3
122.20411	1.4
126.09145	1.2
127.03905	12.4
128.07077	2.8
130.08640	23.2
135.93900	1.3
138.05475	1.2
143.05774	6.2
145.04944	2.5
150.09084	9.8
154.08647	4.6
158.04471	2.0
161.06842	5.4
164.07043	1.4
182.08096	1.7
182.74579	1.1
196.09650	14.3
198.11255	16.3
208.06088	1.6
216.12308	65.9
226.07097	5.1
234.13380	8.5
244.08084	12.2
244.11761	39.8
262.09277	15.5
262.12839	100.0
280.10229	21.4
280.13882	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1541
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
55.05524	0.7
59.17807	0.3
62.67382	0.3
62.89232	0.3
63.60735	0.3
67.05491	1.8
69.03410	0.4
69.07052	0.9
73.57370	0.3
74.23771	0.3
79.05490	0.4
80.35499	0.4
81.07050	2.4
85.06545	2.4
87.04460	0.4
91.05444	0.5
93.07047	0.7
97.06506	0.5
101.06027	0.4
103.05461	0.9
109.06535	0.7
116.07106	0.7
117.06985	0.6
121.06491	4.3
123.04419	10.2
126.09112	0.6
127.07504	0.5
131.04913	9.5
137.05994	8.0
143.04951	0.7
145.06479	5.0
146.06029	0.7
147.04396	9.7
149.05975	66.6
151.07468	0.4
153.05406	0.4
154.04993	0.8
157.06523	0.9
161.05952	9.7
162.05487	0.4
163.07524	10.9
164.07056	17.3
165.05463	42.1
165.41710	0.4
171.08078	0.5
173.05978	1.6
175.07529	3.7
179.07056	0.5
181.10078	0.8
183.08070	0.9
185.09575	1.9
189.09241	0.4
199.11121	2.9
201.09100	4.1
203.10652	2.9
209.09608	2.4
213.16496	0.4
217.12222	8.7
227.10660	9.6
245.11633	4.4
262.14514	3.9
263.12759	6.1
280.15421	100.0
302.36362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.7
59.17807	0.3
62.67382	0.3
62.89232	0.3
63.60735	0.3
67.05491	1.8
69.03410	0.4
69.07052	0.9
73.57370	0.3
74.23771	0.3
79.05490	0.4
80.35499	0.4
81.07050	2.4
85.06545	2.4
87.04460	0.4
91.05444	0.5
93.07047	0.7
97.06506	0.5
101.06027	0.4
103.05461	0.9
109.06535	0.7
116.07106	0.7
117.06985	0.6
121.06491	4.3
123.04419	10.2
126.09112	0.6
127.07504	0.5
131.04913	9.5
137.05994	8.0
143.04951	0.7
145.06479	5.0
146.06029	0.7
147.04396	9.7
149.05975	66.6
151.07468	0.4
153.05406	0.4
154.04993	0.8
157.06523	0.9
161.05952	9.7
162.05487	0.4
163.07524	10.9
164.07056	17.3
165.05463	42.1
165.41710	0.4
171.08078	0.5
173.05978	1.6
175.07529	3.7
179.07056	0.5
181.10078	0.8
183.08070	0.9
185.09575	1.9
189.09241	0.4
199.11121	2.9
201.09100	4.1
203.10652	2.9
209.09608	2.4
213.16496	0.4
217.12222	8.7
227.10660	9.6
245.11633	4.4
262.14514	3.9
263.12759	6.1
280.15421	100.0
302.36362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.7
57.07080	7.7
67.05505	50.7
68.00591	3.2
69.07063	21.5
72.44556	2.9
79.05513	34.7
80.45473	3.1
81.07063	52.0
82.07404	4.3
83.04979	5.8
83.08619	24.2
91.05451	26.2
93.07047	41.5
95.04914	3.5
95.08604	41.2
96.08950	4.1
97.03478	3.4
97.06525	13.3
97.10175	26.3
105.07026	12.6
107.08603	44.7
109.10123	22.1
111.08030	4.4
117.07068	3.8
119.07873	3.0
119.08575	34.1
121.10150	75.3
123.11751	5.6
127.11176	3.5
131.08589	13.6
133.10136	25.8
135.11705	42.8
137.09602	20.9
139.11177	7.8
145.10109	13.5
147.11632	13.3
149.09622	6.1
149.13226	13.1
151.11159	33.2
153.09169	3.6
157.73898	3.3
161.13292	13.3
163.11143	13.9
165.12723	6.3
166.99713	3.2
167.10652	4.1
227.17969	11.7
235.20427	4.2
245.18994	20.3
262.21783	7.4
263.20044	100.0
263.22864	5.4
280.09686	12.8
280.22754	74.1
280.26007	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	1.1
55.05518	22.4
56.41365	1.2
57.07078	11.2
57.20018	1.2
58.47174	1.3
65.92571	1.2
67.05507	75.5
67.14094	1.4
68.05841	16.1
69.07076	35.8
70.07407	2.4
71.05017	1.8
71.08624	5.9
79.05486	7.5
80.05834	2.8
81.07059	100.0
82.06920	2.1
82.07391	29.3
83.04969	8.2
83.08614	30.4
84.08157	2.0
84.08971	2.1
85.06496	1.6
91.05478	3.6
93.07034	18.1
94.07375	6.1
95.08604	92.2
96.08929	26.3
97.06497	5.2
97.10183	16.1
100.07619	7.5
101.37617	1.3
105.07016	1.4
107.08595	11.2
108.08905	2.1
109.06506	2.0
109.10153	37.3
110.10493	8.2
111.08079	3.1
111.11726	3.3
114.09179	6.9
119.08545	2.8
121.10130	13.2
122.10484	5.6
123.08024	1.6
123.11721	14.5
124.12084	5.7
125.13221	1.8
128.82172	1.5
133.10117	10.9
134.42609	1.7
135.11687	9.4
136.12018	2.6
137.09601	2.1
137.13243	6.8
138.13579	3.4
146.10544	1.4
146.89168	1.7
147.11699	7.4
149.13260	5.8
150.13585	2.6
151.14839	2.6
152.15063	1.5
160.12059	1.7
161.13213	3.1
163.14787	2.3
165.16354	3.0
173.13266	2.0
174.13560	2.5
175.14790	1.6
198.59470	1.4
224.20978	2.8
228.86404	1.6
239.23633	6.4
245.22577	16.1
252.20407	2.1
262.25320	1.6
263.23676	21.7
280.19888	6.0
280.23419	30.5
280.26373	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	32.5
55.05520	46.8
56.02215	4.2
56.05835	2.6
57.04522	2.4
57.07084	27.2
62.01383	2.3
67.05513	80.5
68.05830	19.3
69.07073	100.0
70.07394	19.3
71.04988	5.2
71.08632	13.0
79.05497	22.4
81.07067	98.7
82.07384	18.8
83.04999	6.2
83.08614	58.7
84.08949	11.9
85.10181	3.1
91.05471	12.8
93.07042	42.7
94.07372	19.9
95.04955	4.0
95.08608	89.4
95.68410	2.7
96.08927	24.7
97.06528	18.8
97.10169	31.2
100.07616	6.3
105.07011	13.4
107.08586	34.9
108.08916	18.4
109.10151	38.7
110.10511	13.6
111.08105	5.0
111.11712	4.5
113.09621	3.6
114.09172	6.7
119.08585	19.8
121.10136	33.1
122.10452	15.5
123.08056	4.4
123.11703	24.3
124.12057	4.7
133.10115	19.8
135.11671	23.9
136.12025	15.1
137.09631	7.2
137.13280	13.6
147.11694	15.2
149.13258	6.5
150.09923	4.7
150.13626	4.3
151.14879	3.1
153.12717	22.3
154.13095	27.6
161.13254	7.0
163.14827	6.5
175.14822	4.5
179.17957	5.4
189.16260	4.0
219.20845	3.8
223.23586	3.5
234.23053	6.2
244.21400	5.1
245.22604	35.0
262.22443	16.2
263.23709	39.5
272.64539	2.9
280.23441	43.4
280.26431	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	32.5
55.05520	46.8
56.02215	4.2
56.05835	2.6
57.04522	2.4
57.07084	27.2
62.01383	2.3
67.05513	80.5
68.05830	19.3
69.07073	100.0
70.07394	19.3
71.04988	5.2
71.08632	13.0
79.05497	22.4
81.07067	98.7
82.07384	18.8
83.04999	6.2
83.08614	58.7
84.08949	11.9
85.10181	3.1
91.05471	12.8
93.07042	42.7
94.07372	19.9
95.04955	4.0
95.08608	89.4
95.68410	2.7
96.08927	24.7
97.06528	18.8
97.10169	31.2
100.07616	6.3
105.07011	13.4
107.08586	34.9
108.08916	18.4
109.10151	38.7
110.10511	13.6
111.08105	5.0
111.11712	4.5
113.09621	3.6
114.09172	6.7
119.08585	19.8
121.10136	33.1
122.10452	15.5
123.08056	4.4
123.11703	24.3
124.12057	4.7
133.10115	19.8
135.11671	23.9
136.12025	15.1
137.09631	7.2
137.13280	13.6
147.11694	15.2
149.13258	6.5
150.09923	4.7
150.13626	4.3
151.14879	3.1
153.12717	22.3
154.13095	27.6
161.13254	7.0
163.14827	6.5
175.14822	4.5
179.17957	5.4
189.16260	4.0
219.20845	3.8
223.23586	3.5
234.23053	6.2
244.21400	5.1
245.22604	35.0
262.22443	16.2
263.23709	39.5
272.64539	2.9
280.23441	43.4
280.26431	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55017	1.6
53.03952	1.9
55.01890	2.7
55.05522	37.6
56.05853	2.1
57.07085	22.9
57.25058	1.8
67.05512	61.8
68.05841	10.7
69.07075	67.5
71.05001	3.0
71.08638	17.7
72.08154	1.9
73.06644	1.7
79.05486	12.1
81.07063	96.3
82.07401	16.4
83.05009	4.0
83.08630	55.6
84.08160	8.2
85.06569	2.0
85.10194	3.8
86.06062	4.6
91.05485	11.5
93.07056	25.5
95.08614	100.0
96.08947	11.4
97.06524	8.0
97.10173	33.6
98.09680	3.5
99.08095	7.6
100.07630	9.9
100.31686	1.9
105.07042	12.4
107.08595	17.7
109.06538	3.2
109.10169	58.5
110.10513	8.8
111.08096	11.6
111.11736	8.4
113.59056	2.1
114.09177	9.9
115.10482	2.3
115.45267	2.0
119.08619	14.8
121.10139	19.9
122.10426	2.3
123.08064	4.0
123.11729	21.8
124.12087	2.5
125.09654	4.5
125.13149	2.0
127.11227	3.2
128.10680	4.3
133.10136	25.0
135.11696	16.5
136.12044	2.8
137.09618	4.0
137.13237	5.1
139.11145	3.0
140.27315	2.0
142.12308	2.3
147.11691	18.9
148.12091	2.3
149.13264	10.7
151.14803	3.1
161.13269	12.6
163.14816	8.8
165.12753	11.3
165.16371	9.1
170.60501	2.2
174.98734	1.9
175.14877	8.2
177.58957	2.1
178.62265	2.2
179.17905	4.6
181.32448	2.5
189.16483	3.1
203.17992	2.1
209.62723	2.3
210.92093	2.7
245.22673	40.5
257.04773	3.6
262.22534	4.4
263.20001	3.6
263.23703	43.4
280.05927	2.2
280.09680	2.6
280.23486	42.6
280.26385	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
50.49261	1.9
50.89016	1.7
51.45391	1.8
55.05519	34.5
57.07080	27.7
67.05510	59.0
68.05853	1.9
69.03445	2.1
69.07073	71.0
71.04990	3.0
71.08641	15.6
72.08151	2.0
79.05492	16.6
81.07059	100.0
83.04993	5.1
83.08633	52.0
84.08126	3.3
85.06553	2.8
85.10172	3.8
86.06069	13.8
86.85490	2.0
91.05501	15.9
93.07041	24.0
95.08606	91.4
97.06526	11.6
97.10161	33.2
98.09705	2.7
99.08079	2.3
100.07626	10.7
105.07047	15.8
107.08588	22.5
109.10159	53.9
111.08066	5.3
111.11732	5.0
114.09179	11.0
119.08564	20.5
121.10132	23.9
123.08076	4.6
123.11709	25.2
125.09624	3.0
128.10695	5.0
133.10144	32.3
135.11700	14.0
137.09583	3.4
137.13274	10.6
139.11183	3.0
142.12270	3.8
147.11688	18.1
149.13275	14.0
151.11166	5.0
151.14815	7.7
154.12178	2.8
161.13281	12.8
163.14801	11.5
165.12842	3.6
165.16360	9.9
167.14226	3.0
175.14803	12.5
179.17917	14.0
241.57536	2.2
245.22635	50.0
263.23676	65.9
263.26517	2.8
280.20151	3.8
280.23471	14.4
280.26352	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	36.7
57.07091	25.8
67.05509	65.2
68.05850	8.9
68.12360	3.8
69.07071	47.8
79.05496	17.6
81.06621	4.6
81.07066	100.0
82.07400	17.4
83.04981	4.6
83.08628	57.0
85.06567	6.3
86.06071	4.2
91.05479	16.3
93.07047	25.4
94.07372	6.9
95.08601	84.7
96.08948	18.9
97.06533	14.9
97.10180	24.1
100.07626	15.2
104.78987	3.2
105.07011	6.0
107.08602	22.9
109.10151	55.4
110.10480	6.9
111.08111	5.9
111.11710	4.9
114.09151	6.0
119.08573	13.9
121.10140	25.5
123.08057	7.2
123.11713	26.4
133.10139	18.4
135.11723	17.1
137.13228	5.5
142.12209	5.6
147.11617	6.2
149.02466	3.6
149.13258	4.8
150.02623	4.7
150.13612	7.2
152.08109	3.3
161.13269	8.5
163.14819	7.9
165.16518	3.5
171.34175	3.7
175.14912	4.1
234.18547	6.2
245.22708	36.8
257.04657	5.9
262.22388	4.4
263.23700	50.4
280.09366	4.6
280.20023	7.3
280.23438	45.6
280.26370	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.48595	3.9
55.05514	30.0
55.94166	3.8
57.07074	20.0
61.71755	5.0
67.05508	47.1
69.07081	59.2
70.27731	4.2
71.08636	6.7
79.05509	9.7
80.12745	4.9
81.07067	72.7
83.08636	35.0
91.05470	9.0
93.07041	21.1
95.08607	82.9
97.10167	20.8
105.07063	8.8
107.08617	11.6
109.10149	34.9
111.11770	7.9
114.09171	7.6
119.08608	9.9
121.10133	8.3
123.11694	17.6
133.10126	8.0
135.81523	5.0
137.09647	6.7
147.11668	22.9
161.13286	10.0
163.14853	6.6
175.14844	5.8
245.22670	31.1
263.23618	40.2
280.20663	16.6
280.23535	13.4
280.26361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.11911	5.0
55.05521	49.6
55.80013	5.6
57.07083	27.8
61.32335	6.5
63.46522	5.9
64.03584	5.9
67.05510	65.8
69.07070	86.5
71.08596	6.5
79.05478	11.4
81.07063	99.0
83.08634	64.8
86.06090	7.9
91.05474	12.9
93.07050	27.5
95.08611	100.0
97.06538	11.6
97.10155	36.5
99.78748	6.9
100.07600	15.4
105.07031	12.8
107.08600	28.5
109.10155	75.8
114.09154	15.9
119.08590	10.8
121.10146	13.6
123.11694	26.7
125.09628	8.1
127.51344	5.8
133.10144	16.5
135.11714	9.3
137.13268	13.0
139.11118	8.9
140.10669	7.0
147.11691	9.1
165.16406	8.5
191.79955	7.1
245.22610	49.6
263.23706	85.2
280.23541	21.7
280.26358	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	39.6
57.07085	38.4
66.07117	3.2
67.05512	60.7
67.09410	3.5
69.07069	75.4
71.08619	8.6
76.56087	3.2
79.05486	7.2
81.07062	87.8
83.08614	47.0
84.08163	6.4
91.05482	16.6
93.07041	21.3
94.50967	4.4
95.08607	82.4
95.60934	4.2
97.06493	14.1
97.10163	40.0
99.08112	3.5
100.07618	19.6
105.07003	8.5
107.08574	27.4
109.10149	56.4
111.08080	6.8
111.11692	7.7
114.09177	9.0
116.15801	4.2
119.08578	24.8
121.10133	25.5
123.11711	31.7
128.10738	6.4
133.10158	29.5
135.11702	24.0
137.09590	5.6
137.13277	6.4
147.11705	21.8
149.02327	54.2
149.13210	4.7
150.02660	50.0
151.14877	4.7
161.13295	13.6
163.14799	8.7
165.16417	9.2
166.09467	4.5
175.14854	6.3
179.17900	9.0
245.22655	59.6
263.23685	56.3
270.61737	4.1
280.26309	100.0
302.24243	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.71697	2.2
55.05517	30.6
57.07074	14.8
67.05515	32.8
69.07076	54.1
71.08632	4.9
73.22272	2.4
81.07067	64.0
83.08624	44.7
84.08133	2.8
85.06502	2.8
85.10194	3.1
86.06069	3.1
91.05474	6.7
93.07035	14.1
95.08610	67.3
97.06547	3.2
97.10172	30.7
98.68373	2.8
100.07614	13.4
105.07025	4.6
107.08601	14.2
109.10155	41.8
111.08086	5.1
111.11738	6.1
114.09170	15.9
116.12174	2.7
119.08554	12.6
121.10146	17.4
123.11703	23.0
125.09646	3.2
128.10727	5.5
131.07246	2.7
133.10135	12.9
135.11694	16.2
136.65218	2.9
137.09663	2.9
137.13242	13.0
142.12206	3.1
147.11676	14.4
149.13234	18.2
151.14879	6.0
161.13235	5.3
163.14827	10.7
165.16374	11.1
167.14436	3.4
170.15376	3.1
175.14825	5.0
179.17838	3.3
189.16351	5.2
203.16032	3.0
245.22644	40.8
263.23685	69.0
280.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	39.9
56.09621	2.4
57.03458	3.1
57.07084	24.6
57.18684	2.8
62.63811	3.0
64.36368	3.6
67.05505	57.2
68.21426	2.7
69.07075	59.5
70.92667	2.7
71.04980	2.8
71.08633	18.9
72.08138	3.1
79.05502	6.4
81.06611	6.3
81.07060	100.0
83.08623	58.9
84.08159	4.0
86.06063	3.8
90.07281	3.2
91.05476	16.9
93.07034	17.9
95.08601	84.2
97.06539	7.6
97.10168	44.0
100.07603	14.4
105.07042	20.8
105.47681	4.7
107.08584	15.4
109.06467	3.5
109.10162	58.1
109.25210	3.0
110.10430	3.5
111.08053	7.9
111.11718	4.3
114.09148	11.8
119.08566	20.3
121.10131	25.0
123.08101	3.9
123.11721	26.9
125.09695	3.5
128.10715	6.3
133.10126	33.8
134.57635	3.1
135.11688	17.8
137.09595	6.9
137.13275	6.0
138.94064	3.2
139.14714	3.3
142.12357	5.2
147.11693	20.4
149.13263	7.9
151.14835	5.1
156.13763	3.8
157.19789	3.4
161.13217	18.4
163.14861	5.4
165.16360	12.9
175.14767	11.5
179.14278	3.3
179.17865	6.3
182.11089	3.1
189.16313	5.5
213.42146	3.6
221.22559	6.1
243.08142	3.1
245.22649	57.6
263.23621	72.7
280.26297	82.6
284.81155	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2635
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05525	46.2
57.07087	17.9
67.05517	70.4
69.07079	70.5
70.06622	4.6
71.08630	6.9
71.47064	2.9
79.05493	7.8
81.07066	100.0
82.07406	3.8
83.08628	48.5
86.06078	6.1
91.05481	7.2
93.07069	27.3
95.08614	96.3
97.06530	7.7
97.10184	30.7
100.07623	12.2
105.07037	8.0
107.08607	22.8
109.10184	53.2
111.08078	7.7
111.11710	5.8
114.09188	8.1
119.08578	15.3
121.10159	23.0
123.11708	30.3
128.10733	5.4
129.74426	3.6
133.10147	31.1
135.11700	16.1
137.13254	6.0
139.11163	3.3
139.60120	3.6
142.12247	5.1
147.11690	16.5
149.13205	4.5
151.14763	6.1
161.13293	15.3
163.14780	4.7
165.12653	3.8
165.16356	5.5
179.17989	6.4
180.98976	3.7
245.22568	41.9
262.25235	3.8
263.23697	62.7
280.23483	10.2
280.26331	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87047	1.8
51.22640	2.0
55.05328	2.3
55.05527	42.2
57.07084	20.1
60.56874	1.9
67.05513	55.5
69.07072	60.3
71.04970	3.2
71.08640	11.5
79.05489	15.8
81.06616	4.4
81.07068	100.0
83.04974	2.6
83.08632	59.6
84.08149	5.2
85.10190	5.6
86.06075	5.1
91.05492	12.2
93.07041	19.6
95.08616	78.4
97.06535	4.2
97.10175	37.2
99.08087	2.7
100.07608	15.0
105.07040	11.9
107.08621	23.8
109.10157	58.5
111.08081	8.9
111.11757	4.6
114.09163	14.3
119.08569	18.2
121.10175	20.7
123.08101	5.6
123.11745	25.1
125.09641	3.5
126.09182	3.7
127.11154	2.9
128.10727	10.4
133.10118	21.7
135.11702	17.4
137.09641	4.4
137.13300	5.4
139.11205	3.7
142.12302	6.0
147.11710	17.3
149.13249	14.5
151.11160	3.6
151.14769	5.0
154.12186	3.8
161.13232	16.0
163.14836	12.1
165.16371	6.1
175.14786	5.5
179.17938	5.4
184.17039	3.5
195.35657	2.4
196.46422	2.3
221.69763	2.5
245.22617	45.2
245.72223	2.7
263.23703	72.3
280.26346	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.32465	3.4
52.22238	3.5
55.05519	41.5
57.07077	21.7
60.74018	3.5
66.87662	3.7
67.05520	56.4
69.07069	71.0
71.08630	18.2
79.05502	9.3
79.29058	4.5
81.07058	94.0
83.08629	46.6
86.06051	4.6
91.05495	6.1
93.07023	24.8
93.86157	4.4
95.08607	100.0
97.06539	10.4
97.10179	29.9
100.07623	10.3
105.07011	8.2
106.55158	4.0
107.08600	21.4
109.10147	57.5
111.11713	4.5
114.09173	8.2
119.08583	23.5
121.10141	17.4
123.11723	21.8
133.10127	32.3
135.11693	18.2
137.13266	5.6
147.11702	8.1
149.13278	8.7
151.11200	5.6
151.14969	3.8
161.13239	18.3
163.14769	5.8
165.16417	5.2
175.14722	7.8
189.16434	4.4
231.11978	3.9
245.22603	55.0
263.23669	64.0
274.05402	4.8
280.26364	70.2
297.72287	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48227	3.1
55.05514	40.6
56.65491	3.3
57.07072	23.2
67.05509	66.7
69.07066	73.7
71.08616	13.4
79.05482	18.1
81.07058	100.0
83.08624	50.5
85.10175	3.8
86.06056	5.6
91.05466	6.5
93.07043	23.0
95.08599	87.0
97.06553	5.6
97.10173	40.9
97.95971	3.7
99.08032	4.7
100.07606	18.7
101.76033	3.6
105.07022	19.4
107.08580	28.9
108.88771	3.9
109.10150	52.3
111.11740	4.1
114.09142	18.6
119.08593	16.2
121.10135	23.0
123.11706	22.1
133.10133	28.9
135.11691	16.1
137.09618	5.6
137.13272	5.4
139.11188	3.8
147.11685	25.6
149.13242	17.0
151.11142	4.5
151.14803	7.8
158.20450	3.5
161.13202	17.1
162.54970	3.6
163.14790	6.1
165.16438	4.1
179.18002	5.4
189.16537	3.7
221.22681	4.2
245.22636	48.1
263.23639	71.6
280.23462	8.3
280.26279	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.41994	2.7
54.07952	2.7
55.05518	34.1
57.07079	19.9
60.31339	2.9
67.05512	53.7
69.07070	67.8
71.08643	24.6
78.85968	3.3
79.05501	8.5
81.07064	93.9
83.05022	3.6
83.08634	55.2
84.08149	5.9
86.06078	8.2
91.05466	8.3
93.07039	15.7
95.08620	100.0
97.06548	6.6
97.10159	35.9
100.07625	18.7
105.07017	16.4
107.08585	18.8
109.06540	6.1
109.10169	57.8
111.08128	5.7
111.11709	5.3
114.09177	18.7
119.08585	21.3
121.10138	21.3
123.11700	27.9
123.25450	3.2
128.10677	4.3
133.10136	23.8
135.11685	14.3
137.09648	7.3
137.13283	4.6
147.11691	18.2
149.13264	5.3
151.11131	3.8
151.14833	6.6
161.13235	14.4
163.14818	7.5
165.16354	5.1
166.06810	3.5
175.14854	5.8
179.14218	4.1
179.17975	6.4
191.06773	3.3
198.18571	4.2
245.22638	52.2
263.23648	74.1
280.26358	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58823	2.3
55.05520	32.4
57.07069	13.6
67.05515	32.4
69.07074	52.2
71.04986	2.8
71.08617	4.5
72.08138	2.7
78.93598	2.7
79.05477	6.7
81.07056	61.3
83.08621	38.7
90.32450	2.8
91.05503	5.0
92.80894	2.3
93.07035	11.6
95.08604	65.4
97.06500	3.2
97.10147	40.2
100.07610	15.0
100.61289	2.6
104.83858	2.8
105.07032	5.4
107.08584	14.9
109.10161	43.3
111.08080	11.1
111.11755	4.2
114.09150	12.6
119.08591	6.6
119.76657	3.4
121.10152	13.4
123.08108	3.5
123.11698	16.3
128.10716	3.6
133.10121	14.4
135.11708	13.5
137.13239	12.3
142.12337	3.4
144.63660	2.8
147.11703	12.4
148.47951	3.1
149.13217	10.6
161.13246	12.3
163.14816	4.7
165.16466	5.9
169.02536	3.0
170.15334	3.4
175.14806	11.2
179.17975	3.2
189.16304	3.3
207.17276	3.6
245.22626	35.9
263.23672	67.0
280.26318	100.0
294.13806	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98792	3.3
55.05523	27.3
57.07076	20.4
64.49471	3.5
67.05504	45.6
69.07070	56.7
69.25227	3.4
71.08624	5.6
79.05479	5.0
81.06622	4.0
81.07064	78.7
83.08625	53.9
85.10196	3.6
86.06082	3.9
86.77569	2.9
91.05468	5.9
93.07047	15.9
95.08604	78.1
97.06526	18.7
97.10154	39.2
100.07636	6.3
105.07030	7.7
107.08578	19.4
109.10158	54.3
111.08078	5.0
111.11732	4.7
113.09637	3.4
114.09167	8.6
119.08599	6.5
121.10162	19.5
123.11707	23.8
125.09634	7.0
128.10722	5.3
133.10104	24.9
135.11740	8.1
139.11200	6.3
142.12326	7.2
147.11687	16.6
149.13232	6.0
151.14778	5.0
156.13800	5.3
161.13240	19.4
163.14833	13.3
165.16359	7.9
175.14833	7.8
189.16341	4.4
232.64386	3.4
245.22694	34.9
263.23636	61.6
280.26346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.9
57.07087	25.8
60.22627	2.7
62.86197	2.7
67.05506	59.2
68.05879	3.5
69.07077	72.9
71.08618	16.1
76.84762	3.1
79.05512	6.5
81.07064	82.6
83.04967	5.2
83.08625	46.4
84.08129	4.4
85.10188	4.6
86.06070	5.8
91.05474	14.2
93.07035	21.8
94.07391	3.7
95.08608	100.0
96.08919	6.0
97.06538	5.9
97.10169	39.4
99.08079	3.6
100.07613	13.0
105.07056	7.6
107.08599	19.7
109.10145	44.9
111.08112	11.6
111.11706	5.5
114.09177	12.1
119.08553	16.5
121.10149	22.7
123.11700	23.3
128.10736	4.4
133.10162	22.7
135.11688	16.8
137.09587	6.7
137.13272	14.5
137.91281	3.4
145.34854	3.3
147.11703	16.9
149.02333	4.3
149.13240	4.1
151.11186	4.3
161.13228	12.5
163.14848	6.9
165.16324	4.2
177.16464	3.6
179.18062	4.0
245.22633	41.6
263.23666	45.9
280.23526	11.3
280.26337	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	31.9
57.07077	19.8
67.05505	64.9
69.07066	76.1
71.08620	7.2
79.05476	7.2
81.07062	92.1
82.07406	4.5
82.09516	4.4
83.08630	65.6
84.08083	6.3
91.05463	5.6
93.07024	28.4
95.08592	100.0
97.10147	39.3
100.07620	21.5
105.07073	5.9
107.08616	21.3
109.10160	66.1
109.99078	4.4
111.08091	10.7
111.11686	9.3
111.64615	5.1
114.09164	18.2
119.08584	24.5
121.10139	25.3
123.11695	29.0
125.09618	6.3
133.10129	26.3
135.11699	6.0
137.13258	7.8
139.11205	7.2
147.11690	23.6
149.13297	9.3
153.12535	5.0
156.13957	4.5
161.13196	7.8
165.16368	9.1
175.14844	10.0
179.17920	5.2
189.16444	5.4
245.22615	51.1
263.23669	58.3
280.23462	10.0
280.26312	95.8
284.52051	4.9
286.92065	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	50.3
57.07074	24.0
67.05509	59.6
69.07069	72.0
71.08627	6.9
79.05481	18.9
81.07064	79.0
83.08627	73.4
84.08125	3.4
86.06025	4.0
91.05476	16.0
92.20972	5.7
93.07064	25.9
95.08607	100.0
97.06522	14.7
97.10156	40.7
100.07610	19.4
100.21041	3.5
103.50018	4.0
105.07037	17.1
107.08603	23.9
109.10153	49.5
111.08056	4.4
111.11715	8.4
114.09146	5.2
119.08596	16.5
121.10143	22.5
123.11707	29.8
128.10704	5.4
133.10156	23.9
135.11662	5.6
137.13272	6.7
142.12314	6.3
147.11699	20.6
149.13263	7.2
151.11108	4.3
158.97110	3.8
161.13257	13.8
163.14812	8.7
165.16356	6.5
175.14815	5.2
179.17935	4.0
184.16939	5.1
245.22635	46.3
263.23648	66.3
280.23474	15.5
280.26352	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0806
Annotation	Neodunol
Peak:m/z	Relative Intensity
55.05497	0.6
55.31127	0.5
57.03437	0.6
61.73957	0.6
62.85764	0.6
67.05495	1.3
69.07063	1.6
79.05503	1.6
81.07054	2.5
83.05000	0.7
83.08607	1.0
85.06557	1.6
91.05448	2.3
93.07032	1.3
95.04982	1.6
95.08578	3.0
105.07043	0.8
107.08608	0.9
109.10154	1.1
113.06000	8.6
114.33492	0.7
119.08625	1.1
121.10201	0.7
123.08065	1.2
129.06987	0.9
129.61168	0.6
135.08006	1.3
137.09566	0.7
147.11713	1.5
157.10045	1.1
160.05165	2.9
165.07008	0.7
170.02220	0.6
178.07765	0.9
179.08528	0.9
183.08058	3.6
189.07150	0.9
197.05995	9.7
207.08015	8.9
221.06052	1.0
235.07512	9.3
238.06215	29.2
245.15381	0.9
252.07645	1.1
253.08563	100.0
263.16446	1.1
281.08072	76.3
281.17557	2.8
281.22488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83858	1.0
53.03948	1.1
53.86062	1.1
55.05519	3.0
66.09883	1.3
67.05528	4.4
68.59797	1.2
69.07066	7.5
75.73770	1.1
76.27391	1.4
81.03432	1.9
81.07072	2.4
82.43971	1.4
83.08637	3.3
88.81323	1.5
91.05478	7.0
92.08099	1.5
93.07031	5.7
95.04942	2.2
95.08609	6.2
96.08904	1.4
96.52309	1.2
97.02905	13.7
97.10176	1.5
98.84589	1.2
99.04431	1.7
105.07057	2.3
107.08593	2.6
109.06496	1.6
109.10166	3.0
111.11718	1.9
113.68429	1.3
119.04939	100.0
121.10136	2.0
127.03893	2.1
129.92455	1.4
133.10172	2.1
137.05984	7.5
145.10254	1.2
171.11588	1.5
281.18738	2.4
281.26770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1019
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
59.93227	3.3
66.14572	4.3
69.03436	4.3
78.37212	4.8
81.03432	7.0
85.02909	7.3
96.49261	4.9
97.02317	7.4
97.02895	100.0
98.12743	3.8
111.04469	4.5
116.02425	4.4
121.06506	9.0
123.04442	19.3
129.07010	20.8
131.04910	9.4
135.04402	6.7
137.06012	31.4
141.06927	5.4
143.08607	9.9
145.02800	8.5
145.06468	7.6
147.04410	6.9
149.05959	31.7
157.06496	35.7
160.61700	4.6
161.05956	19.6
163.03888	84.4
163.84808	4.3
165.05475	17.9
167.07030	17.3
171.08017	9.5
173.05978	20.2
174.06775	7.8
175.07520	53.1
179.07040	8.1
181.06438	5.4
185.05948	8.4
187.07541	10.1
189.05499	20.5
189.09045	6.2
191.07065	34.2
199.07542	27.9
201.05508	5.7
203.07025	36.4
205.08586	5.7
206.11746	5.1
207.06523	7.7
217.08626	9.1
223.04858	5.0
227.07054	17.9
233.08069	22.2
236.12868	18.2
245.08072	68.6
251.09126	15.7
263.09137	60.6
264.15887	90.8
281.10364	33.9
281.18640	32.7
302.25504	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17236	4.2
73.21658	4.5
79.14345	5.0
81.03433	19.9
85.02898	22.2
89.60436	4.9
91.05503	5.5
97.02898	97.4
121.06480	12.5
123.04447	41.8
128.06219	7.3
129.06972	6.7
131.04866	6.6
137.05986	50.1
141.07007	6.7
143.08539	9.4
145.06476	21.0
147.04440	12.1
149.05952	52.0
151.07515	7.9
153.07025	11.8
157.06491	30.2
159.08058	8.4
160.05156	6.9
161.06015	38.3
163.07549	13.3
165.05435	39.8
167.07022	21.3
169.06419	6.4
171.08032	31.7
173.05984	24.8
174.06738	11.4
175.07536	79.9
179.07025	13.1
181.06462	24.3
185.05972	11.0
187.07582	13.2
189.05460	28.6
189.09091	10.6
191.07059	56.5
199.07536	48.3
201.07347	8.0
203.06985	43.6
207.06473	7.6
209.06119	6.5
215.06975	7.6
217.08617	33.3
227.06953	30.6
233.08069	13.6
245.08127	89.5
263.09137	100.0
281.10089	62.3
281.14984	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1018
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
53.17236	4.2
73.21658	4.5
79.14345	5.0
81.03433	19.9
85.02898	22.2
89.60436	4.9
91.05503	5.5
97.02898	97.4
121.06480	12.5
123.04447	41.8
128.06219	7.3
129.06972	6.7
131.04866	6.6
137.05986	50.1
141.07007	6.7
143.08539	9.4
145.06476	21.0
147.04440	12.1
149.05952	52.0
151.07515	7.9
153.07025	11.8
157.06491	30.2
159.08058	8.4
160.05156	6.9
161.06015	38.3
163.07549	13.3
165.05435	39.8
167.07022	21.3
169.06419	6.4
171.08032	31.7
173.05984	24.8
174.06738	11.4
175.07536	79.9
179.07025	13.1
181.06462	24.3
185.05972	11.0
187.07582	13.2
189.05460	28.6
189.09091	10.6
191.07059	56.5
199.07536	48.3
201.07347	8.0
203.06985	43.6
207.06473	7.6
209.06119	6.5
215.06975	7.6
217.08617	33.3
227.06953	30.6
233.08069	13.6
245.08127	89.5
263.09137	100.0
281.10089	62.3
281.14984	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1231
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.03959	1.2
55.05526	73.6
57.77166	1.2
59.05003	7.9
61.02916	1.3
69.31528	1.0
70.56909	1.4
71.04959	1.6
71.34251	1.1
73.06568	3.1
79.39452	1.2
83.04993	100.0
84.43555	1.2
85.02919	11.3
91.05486	1.5
95.01402	1.3
101.06021	14.8
109.02850	2.6
119.07070	11.7
120.08087	12.6
159.84962	1.2
161.10796	1.5
162.11520	15.4
166.08647	2.9
183.23785	1.4
203.03160	1.3
217.13435	2.4
235.10660	2.0
235.14461	7.1
263.10358	1.4
279.63821	1.2
281.11807	3.1
281.15005	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1495
Annotation	L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
55.05516	0.5
57.35525	0.2
65.03929	0.2
70.06589	0.9
72.08156	5.8
73.02918	0.2
83.08182	0.2
84.04504	0.3
84.08137	0.3
85.02900	0.4
87.04479	0.9
87.38388	0.2
88.34794	0.2
91.05479	7.3
97.02867	0.5
98.06069	0.3
98.98512	0.3
99.04438	0.3
101.06020	3.0
107.04936	0.3
116.07084	1.8
118.06561	0.4
118.08687	1.1
119.04940	9.0
119.07044	0.3
119.20471	0.3
120.08097	4.2
121.06526	2.9
127.03889	0.3
129.10210	0.2
135.04393	0.3
136.07579	100.0
137.05960	0.4
147.04414	0.4
152.07080	1.2
165.05246	0.2
173.96919	0.2
177.00804	0.3
178.08488	0.3
195.11243	0.3
235.14433	2.1
236.12813	0.5
263.10974	1.8
264.12329	1.3
281.08444	0.4
281.11765	0.9
281.14914	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
54.40497	0.7
55.01884	2.2
55.05512	1.6
58.79370	0.7
59.52869	0.8
59.73243	0.8
67.05521	9.1
69.03408	0.9
69.07068	5.8
71.08606	1.9
78.48464	0.9
79.05511	1.2
81.07079	7.4
83.08620	1.5
91.05466	4.2
93.07043	5.6
95.04984	3.8
95.08597	9.3
97.02898	4.7
105.07020	6.0
107.08582	5.7
109.06513	1.4
109.10165	2.2
111.04429	4.5
111.50140	1.0
119.08607	6.5
121.06528	1.6
121.10137	3.6
123.04433	100.0
123.08040	1.7
123.11716	1.2
129.06963	1.3
131.08566	1.4
133.06516	1.5
133.10133	10.7
135.08089	3.7
135.11703	5.3
137.05913	3.1
137.13264	1.2
143.08575	1.1
145.10126	1.4
147.08078	10.3
147.11667	6.3
149.09647	5.4
149.13287	0.9
151.07631	1.4
153.09079	1.2
157.10107	1.1
161.09599	9.0
161.13254	1.7
162.76047	0.9
163.03952	1.0
163.90709	1.0
165.09154	1.9
175.11215	1.8
175.14757	0.8
179.10710	2.2
189.16400	14.9
191.17824	0.9
193.04973	19.3
194.05231	1.0
199.14882	4.1
217.15903	10.1
235.16951	8.6
238.06215	1.0
249.03513	1.6
263.12643	1.6
263.13239	1.6
263.16431	30.8
263.99426	5.0
266.05725	1.3
281.17487	32.1
281.20523	1.1
282.00494	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.24532	3.2
55.05514	30.5
57.03445	37.4
66.52829	3.2
67.05512	80.4
68.09263	3.3
68.83137	3.3
69.07079	20.4
69.94713	3.6
79.05078	5.2
79.05499	93.8
80.16832	3.6
81.03423	7.7
81.07065	78.5
82.07403	3.7
83.04983	45.6
83.08629	15.9
91.05480	59.4
93.07054	74.1
95.04974	28.1
95.08618	46.7
97.06533	6.4
97.10164	6.6
105.07035	52.7
107.08589	30.1
109.06510	8.2
109.10181	4.9
117.07027	7.2
119.08578	42.4
121.06551	7.9
123.08078	20.0
127.07555	4.6
129.06999	19.8
133.10136	20.9
143.08514	13.7
145.10127	6.8
147.11691	48.1
161.09669	5.2
161.13239	27.3
171.11717	34.4
189.12721	15.0
207.13869	18.9
225.14815	4.8
250.53413	4.2
281.11917	4.9
281.17377	100.0
295.59537	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2109
Annotation	Restrictinol
Peak:m/z	Relative Intensity
51.22398	0.8
53.03947	1.6
55.01876	1.6
55.05521	8.4
57.03437	4.1
57.07074	2.3
61.02938	0.9
67.05510	20.4
69.03429	6.6
69.07059	6.0
71.04990	1.7
71.08636	25.4
79.05492	10.2
80.67571	0.7
81.03433	9.6
81.07056	13.8
83.04979	7.3
83.08634	7.8
85.02950	1.5
85.06541	1.2
91.05482	7.1
93.07028	15.4
95.04970	14.0
95.08603	13.7
97.06529	2.0
97.10174	8.3
99.08085	16.9
105.07029	6.0
107.08588	15.8
109.06526	1.7
109.10160	15.0
110.06335	0.9
111.08107	1.6
111.73344	0.9
115.98418	0.9
117.07019	1.1
119.08595	8.0
121.10146	5.2
122.24848	1.0
123.08066	1.6
125.09639	4.3
127.11153	1.2
130.69597	1.0
130.95805	0.9
131.08578	2.0
133.10120	4.7
135.08043	9.3
135.11707	4.5
137.09639	13.5
139.11185	1.3
140.22647	0.9
147.11682	5.6
149.09628	5.6
150.38852	1.0
151.11186	30.9
153.12749	1.3
157.10136	1.9
161.13240	1.6
163.11259	1.3
165.12683	6.5
168.86310	0.9
179.14342	1.4
207.13788	1.8
235.20613	1.1
263.20044	43.3
281.21109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2476
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
52.57619	5.0
55.05514	35.7
55.43942	5.5
57.07082	57.1
57.42634	4.3
67.05515	53.7
69.07075	83.1
70.07433	6.1
71.08623	36.2
79.05502	23.8
81.07069	100.0
82.07401	11.9
82.60075	5.4
83.08621	59.1
85.06525	7.7
91.05507	8.0
93.07044	13.0
95.08615	89.3
96.08955	14.7
97.10165	28.5
98.10558	9.3
105.07033	8.3
107.08598	35.0
109.10173	61.9
111.11642	7.2
111.59675	7.5
119.08575	13.0
121.10109	8.9
123.04464	5.9
123.08082	7.6
123.11677	29.0
126.01765	7.6
127.05733	7.8
133.10132	32.6
135.11661	8.7
137.09608	10.8
141.12856	7.5
142.98460	8.3
147.11690	23.9
151.11253	7.6
155.14319	6.8
234.09993	6.8
245.22488	9.1
246.23055	9.9
263.23712	10.9
264.23953	11.7
281.24371	11.8
281.26898	28.0
282.09366	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2471
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05519	34.9
57.06822	3.3
57.07079	52.2
58.14716	2.1
67.05505	62.2
68.05827	2.5
69.07066	63.8
70.07411	4.1
71.04988	3.8
71.08629	40.4
79.05496	12.0
81.07060	100.0
81.07541	4.4
82.07387	9.3
83.04994	3.3
83.08624	51.7
84.08955	4.2
85.06536	5.2
85.10172	20.9
91.05479	16.3
91.19727	2.4
92.21011	2.8
93.07053	21.7
94.07399	2.3
95.08603	84.2
96.08933	14.6
97.06503	4.8
97.10162	35.6
98.10496	3.3
99.08064	3.1
105.07031	12.0
106.07375	2.7
107.08566	22.3
108.08891	2.8
109.10160	45.3
110.10482	10.4
111.08044	10.3
111.11725	9.6
114.09180	2.9
119.08578	18.0
120.08917	2.7
121.10130	14.8
123.08038	4.4
123.11702	18.6
124.11990	3.0
133.10100	22.2
134.10439	5.7
135.08055	2.7
135.11639	4.4
137.09605	3.0
137.13249	11.6
141.12769	4.6
143.91826	2.3
147.11688	15.6
149.13271	4.1
151.11188	2.8
151.14777	2.7
155.14304	14.6
161.13266	10.6
163.14882	3.5
165.12732	3.6
166.00177	2.2
166.13075	3.5
175.14749	2.5
190.16661	2.4
220.21388	3.4
245.22617	15.6
246.22992	19.8
263.23657	19.7
264.24023	21.8
277.87186	2.5
281.11826	3.7
281.24188	7.8
281.27133	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	2.2
61.58527	1.7
66.21291	2.1
73.02929	2.8
74.06071	2.5
85.02898	8.1
85.50145	1.8
86.06078	2.9
91.32514	2.1
93.07037	3.9
97.02901	10.8
98.06033	3.2
102.05548	3.1
121.06507	100.0
126.29572	1.7
127.03914	2.3
132.06577	4.3
144.06517	15.4
150.07758	18.8
150.09004	3.4
156.06589	2.3
162.03152	2.0
162.07730	2.4
186.07669	3.4
192.05588	2.2
218.44427	2.0
246.09720	13.5
264.10574	13.5
282.01831	2.5
282.04865	50.3
282.13412	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0884
Annotation	Nitrazepam
Peak:m/z	Relative Intensity
51.07206	0.2
55.05505	0.4
56.96532	0.3
57.03437	0.4
57.07086	0.7
57.23031	0.3
58.19924	0.2
66.13742	0.3
69.03418	1.3
69.07072	0.3
81.03391	0.4
83.08593	0.4
85.02903	4.2
87.32178	0.3
97.02872	0.8
97.10146	0.4
98.97543	1.1
99.04449	0.5
103.07615	0.4
109.02882	0.4
110.17757	0.3
120.08083	1.3
123.04522	0.4
124.12992	0.3
127.03880	1.3
136.07545	0.7
145.04935	1.6
150.07759	0.4
150.19923	0.3
158.99640	0.5
165.06950	2.0
165.60435	0.3
178.07779	0.4
179.08551	0.3
180.09302	0.4
180.31371	0.3
189.06932	0.5
190.07555	1.0
191.08499	0.5
193.06432	5.2
194.07239	1.6
195.07953	0.4
196.08786	0.6
204.87396	0.4
205.06502	1.3
206.07191	0.5
207.07999	2.9
208.08798	5.2
211.07491	1.6
218.07191	3.1
219.07999	1.7
221.05962	8.1
222.06714	3.5
223.07559	1.2
224.08382	0.6
234.06828	0.5
235.07616	3.5
236.08302	5.5
239.07008	28.2
246.06876	0.6
249.05402	8.6
250.06197	1.3
252.07744	4.4
253.08498	1.8
254.09315	0.7
263.07013	3.6
264.07834	1.8
266.93555	0.4
267.06494	56.7
282.08823	100.0
282.27896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10732	0.2
57.07070	0.4
58.06589	1.1
63.93254	0.2
69.03420	1.0
69.07050	0.9
69.34148	0.2
73.47453	0.2
74.62937	0.2
74.63480	0.2
76.38839	0.2
76.71237	0.2
79.05479	0.3
83.08582	0.5
85.02895	3.7
85.06535	0.3
97.02892	0.9
97.10162	0.4
99.04453	0.5
103.07558	0.5
103.74369	0.2
107.04947	2.0
109.02846	0.3
110.06030	0.3
116.98607	0.2
121.06493	1.2
127.03916	1.0
129.82541	0.2
135.79979	0.2
135.85260	0.2
145.04929	1.2
148.80885	0.2
159.57208	0.2
168.24976	0.2
176.07021	0.5
215.16225	0.2
223.07472	0.3
267.08865	1.1
282.07947	4.3
282.11221	100.0
282.27908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1123
Annotation	Oxoassoanine
Peak:m/z	Relative Intensity
52.10732	0.2
57.07070	0.4
58.06589	1.1
63.93254	0.2
69.03420	1.0
69.07050	0.9
69.34148	0.2
73.47453	0.2
74.62937	0.2
74.63480	0.2
76.38839	0.2
76.71237	0.2
79.05479	0.3
83.08582	0.5
85.02895	3.7
85.06535	0.3
97.02892	0.9
97.10162	0.4
99.04453	0.5
103.07558	0.5
103.74369	0.2
107.04947	2.0
109.02846	0.3
110.06030	0.3
116.98607	0.2
121.06493	1.2
127.03916	1.0
129.82541	0.2
135.79979	0.2
135.85260	0.2
145.04929	1.2
148.80885	0.2
159.57208	0.2
168.24976	0.2
176.07021	0.5
215.16225	0.2
223.07472	0.3
267.08865	1.1
282.07947	4.3
282.11221	100.0
282.27908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10732	0.2
57.07070	0.4
58.06589	1.1
63.93254	0.2
69.03420	1.0
69.07050	0.9
69.34148	0.2
73.47453	0.2
74.62937	0.2
74.63480	0.2
76.38839	0.2
76.71237	0.2
79.05479	0.3
83.08582	0.5
85.02895	3.7
85.06535	0.3
97.02892	0.9
97.10162	0.4
99.04453	0.5
103.07558	0.5
103.74369	0.2
107.04947	2.0
109.02846	0.3
110.06030	0.3
116.98607	0.2
121.06493	1.2
127.03916	1.0
129.82541	0.2
135.79979	0.2
135.85260	0.2
145.04929	1.2
148.80885	0.2
159.57208	0.2
168.24976	0.2
176.07021	0.5
215.16225	0.2
223.07472	0.3
267.08865	1.1
282.07947	4.3
282.11221	100.0
282.27908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09602	0.5
55.01875	0.9
57.03429	2.7
57.07065	0.9
59.05011	0.6
61.02932	1.1
67.05515	0.9
69.03425	5.1
73.02898	0.7
81.03435	1.1
83.08592	0.7
83.85954	0.6
84.04514	0.8
85.02903	33.3
85.06538	4.3
87.04474	0.8
91.03931	1.3
93.07025	0.9
97.02872	6.5
99.04437	2.3
103.05505	0.6
103.07580	4.0
107.04958	2.1
109.02884	2.5
121.06490	21.3
127.03919	10.2
132.08084	4.7
136.06168	3.1
145.04944	11.5
150.07744	100.0
158.63153	0.6
162.07671	0.8
163.06009	2.8
164.07053	1.3
178.08784	2.0
218.08124	0.9
221.70761	0.7
237.92506	0.6
282.12158	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01876	0.6
57.03435	2.0
59.04993	0.3
61.02917	1.4
67.83811	0.3
69.03428	3.2
69.07075	0.3
71.05000	0.5
71.23519	0.3
73.02915	1.3
73.52597	0.3
81.03426	0.5
85.02908	18.1
85.06544	1.8
87.04450	0.5
91.03958	0.7
97.02910	3.7
99.04420	0.5
103.07580	2.2
109.02889	1.4
109.06417	0.3
115.03909	0.4
121.06513	0.6
127.03902	5.2
132.08083	0.7
133.04999	0.3
136.03998	0.3
136.06158	2.5
145.04958	7.9
150.07747	100.0
163.06026	2.4
203.20656	0.3
217.10495	0.4
278.20801	0.3
282.11859	14.3
282.27786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81797	0.3
63.07560	0.3
75.35447	0.4
78.17557	0.4
85.02917	1.6
91.05483	2.0
93.07044	4.8
95.04959	0.6
96.04478	1.6
97.02888	2.2
101.06039	0.4
103.05476	1.7
107.04916	0.7
115.03912	0.7
121.06503	100.0
122.06090	0.5
127.03905	0.6
135.04466	0.6
144.06561	3.2
148.07639	0.4
148.73453	0.4
150.09123	2.7
152.07051	3.5
162.07597	4.0
162.08969	0.7
178.08565	3.9
179.11836	0.4
194.08194	0.5
218.08081	1.0
236.09085	0.8
264.12320	3.4
282.09933	1.8
282.13339	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.4
90.49332	0.4
91.05474	1.7
93.07036	4.6
96.04482	0.5
97.02890	2.1
98.71996	0.4
102.83408	0.4
103.05467	2.5
107.04919	0.5
115.03902	0.6
121.06499	100.0
127.03888	0.9
144.06577	4.0
150.07791	1.0
150.09137	3.3
162.07608	4.7
178.08603	2.7
220.90201	0.5
264.12360	3.0
282.04883	1.1
282.13339	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Harzianopyridone
Peak:m/z	Relative Intensity
54.22856	0.4
58.32573	0.4
91.05470	1.8
93.07037	3.7
97.02850	1.6
99.04393	0.4
103.05474	2.9
109.43462	0.5
121.06498	100.0
127.03939	0.8
144.06566	2.9
150.09116	2.6
162.07574	5.3
169.15085	0.5
264.12283	3.1
282.13333	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98627	0.5
55.22559	0.5
73.02878	0.7
83.68253	0.6
85.02894	5.9
85.06529	1.4
91.05479	1.2
93.07027	4.1
95.04999	0.8
96.04477	1.2
97.02873	3.4
103.05463	1.1
109.02845	0.6
121.06503	100.0
127.03886	2.5
129.66162	0.7
144.06578	3.9
145.04944	3.0
150.09129	1.4
162.07607	4.0
162.08968	0.9
163.05936	0.7
220.82982	0.7
247.71147	0.7
264.12338	4.0
282.13345	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46822	0.5
56.94468	0.5
68.05030	0.6
69.01143	0.5
69.03435	2.3
70.06602	14.1
70.06951	1.1
70.52458	0.5
71.23396	0.5
84.08145	9.9
85.02904	0.7
86.06076	2.8
86.09715	1.0
87.04475	19.6
92.21507	0.7
98.06061	72.4
101.90637	0.5
112.07601	7.5
116.07097	100.0
120.08135	2.8
126.04803	0.7
130.08731	0.6
140.07079	0.9
146.05997	3.2
153.94189	0.6
169.33217	0.6
173.82707	0.8
175.11923	0.8
178.08659	1.2
180.29459	0.7
184.95886	0.7
232.09708	0.8
240.15204	0.7
246.11325	0.8
264.12354	3.2
273.67291	0.6
282.08023	0.8
282.13376	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96322	0.6
55.05523	2.0
57.03458	0.7
57.07083	1.3
57.83750	0.8
59.05012	0.7
61.02957	0.8
61.45806	0.7
68.05065	0.9
69.03452	5.0
69.07063	1.7
70.06596	13.8
83.05009	1.7
83.08620	1.4
84.05347	1.1
84.08164	1.1
85.02906	16.3
85.06557	1.9
86.06096	1.6
87.04469	26.9
87.04993	1.3
87.15189	0.8
88.06334	0.8
95.08630	1.1
97.02934	4.7
97.10182	1.1
98.06058	70.7
99.04466	1.6
100.07688	0.9
103.07616	4.9
109.02924	0.9
112.07604	16.4
116.07092	100.0
119.04921	1.1
121.06512	1.4
127.03940	5.8
130.08687	3.6
136.06219	4.3
136.07614	1.6
140.07065	1.5
145.04915	7.1
146.06061	5.6
147.04454	4.1
148.03969	3.8
163.06084	1.1
177.07903	1.6
178.08659	3.8
186.09196	1.3
214.08681	1.3
215.73164	0.9
232.09711	4.0
246.11345	2.0
247.24194	1.3
264.08588	1.5
264.12363	7.6
282.07135	2.0
282.13385	22.7
282.28024	4.8
283.32526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85133	0.4
55.05514	0.8
56.31017	0.4
61.02928	0.9
63.68357	0.4
67.05498	0.5
69.03429	1.1
69.07062	0.5
70.06599	1.9
83.04967	0.7
85.02914	8.9
85.06535	2.1
87.04465	2.3
91.03966	0.5
91.05486	0.7
97.02892	2.6
98.06059	7.7
99.04467	0.7
101.02383	0.7
103.05499	0.8
103.07575	3.2
105.07040	0.7
109.02941	0.5
116.07089	9.7
119.05004	0.5
120.08079	4.6
121.06495	10.2
123.04424	1.1
127.03923	2.2
130.06523	2.4
131.04967	0.5
132.08089	100.0
136.06192	1.8
136.07591	4.3
137.05948	0.6
145.04959	2.9
150.09084	3.7
161.78841	0.5
163.06049	0.7
165.05516	0.7
174.43323	0.4
176.07121	0.5
178.07060	0.9
178.08623	26.7
182.08087	0.8
205.10962	0.6
206.11778	0.8
218.11766	19.5
218.13765	1.0
236.09261	0.6
236.12814	8.6
264.08841	0.8
264.12308	6.1
282.13361	40.4
282.27924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85133	0.4
55.05514	0.8
56.31017	0.4
61.02928	0.9
63.68357	0.4
67.05498	0.5
69.03429	1.1
69.07062	0.5
70.06599	1.9
83.04967	0.7
85.02914	8.9
85.06535	2.1
87.04465	2.3
91.03966	0.5
91.05486	0.7
97.02892	2.6
98.06059	7.7
99.04467	0.7
101.02383	0.7
103.05499	0.8
103.07575	3.2
105.07040	0.7
109.02941	0.5
116.07089	9.7
119.05004	0.5
120.08079	4.6
121.06495	10.2
123.04424	1.1
127.03923	2.2
130.06523	2.4
131.04967	0.5
132.08089	100.0
136.06192	1.8
136.07591	4.3
137.05948	0.6
145.04959	2.9
150.09084	3.7
161.78841	0.5
163.06049	0.7
165.05516	0.7
174.43323	0.4
176.07121	0.5
178.07060	0.9
178.08623	26.7
182.08087	0.8
205.10962	0.6
206.11778	0.8
218.11766	19.5
218.13765	1.0
236.09261	0.6
236.12814	8.6
264.08841	0.8
264.12308	6.1
282.13361	40.4
282.27924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Harzianopyridone
Peak:m/z	Relative Intensity
51.79025	0.3
61.02921	0.4
69.03429	1.4
69.07066	0.5
73.02900	0.6
81.03419	0.6
81.91856	0.3
84.04501	0.4
85.02892	3.2
91.05471	1.6
93.07043	4.9
95.04955	0.5
95.08619	0.4
97.02889	1.5
99.04426	0.3
103.05463	2.4
103.07582	0.3
104.49075	0.3
107.04969	0.4
108.88354	0.4
120.08093	0.4
121.06501	100.0
127.03928	1.7
132.08105	7.9
136.06226	0.5
136.07555	0.4
138.09129	0.7
140.36670	0.3
144.06540	1.9
145.04961	1.5
150.09155	1.4
162.07584	4.4
178.08615	3.1
180.10207	0.5
192.58530	0.4
218.08167	0.7
218.11716	1.5
236.09270	0.5
236.12912	0.7
251.97853	0.4
264.08789	0.4
264.12292	2.8
282.13339	44.2
282.27936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.5
70.06608	0.3
72.40578	0.3
85.02904	2.9
87.04475	0.6
97.02905	0.7
99.04462	0.8
105.07036	0.7
107.04937	0.7
109.02936	0.4
111.46190	0.4
115.05412	0.5
116.07082	0.7
120.04472	0.7
120.08085	3.9
121.06490	3.4
127.03826	0.6
130.06500	1.7
131.04965	0.6
132.08093	100.0
140.36029	0.4
145.04982	0.5
149.06075	0.5
150.09140	3.8
161.09637	0.4
178.08633	26.0
187.28096	0.4
201.06102	0.4
202.80640	0.3
218.11766	19.9
236.12769	6.8
264.12375	5.1
264.14972	0.4
264.16138	0.3
266.08090	0.4
282.07550	3.9
282.11166	20.1
282.13431	27.0
282.17090	4.0
282.27863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20052	0.5
57.03426	0.7
58.88319	0.4
59.05009	0.4
60.08165	2.0
61.02935	0.8
62.13077	0.4
66.24320	0.4
69.03429	3.3
72.53103	0.4
73.02914	0.8
75.78265	0.5
81.03413	0.7
85.02907	100.0
85.06553	2.3
85.36148	0.5
91.03957	0.9
94.98489	0.4
95.04982	0.8
97.02898	3.4
99.04425	1.1
103.07587	1.1
109.02912	0.8
110.99016	0.5
121.02866	12.0
121.06531	0.8
127.03931	3.9
139.03903	9.8
144.10213	1.1
145.04955	6.8
149.20033	0.5
150.07755	24.4
152.07065	3.0
155.94763	0.5
161.48534	0.5
163.06021	2.3
177.46770	0.6
223.06027	13.4
229.10770	0.5
237.15469	0.5
237.29184	0.5
250.58992	0.4
282.13568	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39092	0.9
60.08151	2.4
61.55736	0.9
66.02186	0.8
67.05508	1.2
69.03413	4.1
70.06583	1.0
73.02917	0.8
81.03469	1.0
83.04942	1.1
85.02913	26.0
85.03696	1.1
85.06557	10.1
85.33231	1.1
87.04475	1.5
91.03943	1.2
91.05473	1.1
93.07042	4.9
96.04477	1.8
97.02890	5.2
107.04974	1.0
109.02873	3.6
114.10271	2.3
118.18280	1.0
121.06504	100.0
127.03893	6.8
130.05042	1.2
135.04332	1.3
136.06169	1.1
137.05916	1.2
142.04901	1.1
144.06569	4.3
145.04991	10.9
150.09146	6.4
152.07056	7.0
162.07613	3.9
163.06015	2.2
178.08624	7.5
201.45474	1.1
218.08055	2.4
223.07172	1.1
236.09081	2.4
250.09438	1.2
264.12283	4.3
265.08176	1.2
282.09784	4.9
282.13330	55.6
282.19064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14098	1.0
53.03950	1.7
55.69378	1.1
57.03433	4.5
57.07070	0.9
60.84108	1.1
61.02936	9.8
67.05493	1.4
69.03433	14.9
71.04999	2.2
73.02901	4.7
81.03435	5.5
84.81051	1.1
85.02911	100.0
85.06538	12.1
87.04471	4.7
91.03944	4.4
95.04933	1.2
95.45653	1.1
97.02896	18.9
99.04449	4.9
103.07589	6.7
109.02908	8.1
121.06581	1.4
123.68503	1.2
126.40995	1.1
127.03921	26.3
132.08098	17.3
136.06172	1.3
145.04962	31.2
146.18462	1.0
151.28232	1.0
163.06035	11.0
178.08600	7.2
218.11766	2.2
229.10651	2.2
247.11627	1.5
282.07419	2.2
282.13333	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90240	0.4
55.05510	1.0
57.07084	3.1
67.05507	0.9
69.07072	2.9
71.08631	1.1
81.07064	2.1
83.08621	0.9
85.10153	0.6
93.07035	0.5
95.08607	2.4
97.06533	1.9
97.10201	0.7
105.09457	0.4
107.08630	0.7
109.10146	1.8
111.11748	0.6
121.10144	0.5
123.11649	0.7
140.91977	0.4
145.96768	0.5
182.24158	0.4
249.52402	0.5
265.21625	2.7
282.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Oleamide
Peak:m/z	Relative Intensity
51.53874	1.5
55.01885	1.8
55.05521	18.0
57.07079	24.9
63.97534	2.5
67.05498	10.7
69.06702	2.2
69.07076	42.5
70.50421	1.8
71.08630	18.2
71.98930	1.8
72.04524	2.4
72.08170	2.4
73.87391	1.7
79.05493	3.5
81.07063	21.8
83.08630	42.8
85.06493	1.8
85.10185	9.1
86.06065	3.9
91.61472	1.9
93.07040	4.8
93.69790	2.0
95.08613	21.4
97.06547	11.8
97.10168	41.3
100.07596	11.3
101.79932	2.0
107.08575	12.1
107.89520	1.9
109.10162	13.4
111.08060	5.1
111.11703	12.4
114.09171	8.4
121.10146	12.5
123.11719	2.6
125.09628	3.4
128.10698	8.6
135.11693	14.2
139.11198	2.5
142.12256	3.3
149.13251	7.7
167.14258	3.0
177.16359	2.5
199.38593	2.2
201.09409	1.9
240.26906	2.7
247.24150	17.4
257.31317	2.3
265.25226	23.4
282.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77150	2.6
52.58564	2.4
55.05507	18.9
56.49535	2.5
57.07080	34.2
60.03051	2.3
63.76075	2.3
67.05504	13.3
69.07068	48.6
71.08627	16.8
71.60509	2.2
72.08114	3.0
80.15189	2.6
81.07042	22.1
83.08621	46.9
85.10168	6.5
86.06071	11.4
91.15494	2.7
92.35280	2.7
93.07031	15.0
95.08606	21.4
97.06520	13.1
97.10168	33.1
100.07612	13.0
107.08603	3.8
109.10136	7.0
111.08066	5.6
111.11731	15.5
114.09154	15.0
121.10159	16.0
123.11842	2.8
125.09595	4.8
135.11668	21.1
149.13306	3.6
177.16344	4.1
197.12459	2.8
247.24130	23.5
265.25153	21.1
282.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91988	2.0
54.43549	2.1
55.05513	12.3
56.31257	2.4
56.37452	2.0
57.07080	24.9
62.85211	2.2
67.05499	4.8
69.07074	36.3
69.48093	2.4
71.08624	13.9
71.10625	2.5
75.96954	2.6
79.05491	4.7
81.07053	14.6
83.08627	31.4
86.06063	4.5
93.07048	5.7
94.70894	2.6
95.08603	12.9
97.06506	8.9
97.10165	28.5
100.07620	10.0
107.08662	4.1
109.10148	5.4
111.08100	5.5
111.11726	5.4
114.09161	11.8
121.10150	5.9
125.09613	3.4
128.10773	9.6
135.11693	9.9
135.12746	2.7
139.11203	3.1
149.13274	3.6
247.24213	17.1
265.25275	19.1
282.27878	100.0
282.30826	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05843	1.5
52.85477	1.9
55.05520	19.7
57.07087	27.0
57.62389	1.8
64.80721	1.9
67.05502	12.5
69.07069	39.8
71.08646	14.7
72.04510	2.1
72.08157	3.2
79.05497	3.3
81.07082	18.2
83.08622	44.0
85.10187	3.4
86.06075	8.5
93.07055	11.3
95.08611	19.6
97.06525	10.8
97.10175	36.8
99.08156	1.8
100.07611	14.9
107.08601	9.8
109.10158	10.9
110.02283	1.8
111.08064	11.5
111.11691	13.4
114.09176	14.3
121.10104	12.9
123.11707	4.4
125.09629	10.2
128.10715	3.0
135.11681	19.6
139.11201	2.9
149.13251	9.6
163.14856	3.8
170.15456	2.4
240.26971	2.1
247.24205	20.4
265.25305	19.4
282.27927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	18.5
56.64951	1.6
57.07081	23.3
65.28987	1.6
67.05507	8.2
68.72800	1.4
69.06698	2.6
69.07069	55.8
71.08630	18.7
71.13040	1.4
72.04483	1.7
72.08114	2.7
79.05496	2.8
81.07083	16.7
83.04981	2.5
83.08630	44.3
84.67511	1.5
85.10175	6.8
86.06058	7.3
86.77708	1.7
93.07055	8.3
95.08601	21.0
97.06527	9.1
97.10170	33.0
100.07590	12.8
107.08584	7.6
109.10146	11.8
111.08061	9.8
111.11723	11.9
114.09151	9.5
121.10121	13.3
123.11746	2.7
125.09624	9.6
128.10706	7.4
135.11700	18.0
139.11151	2.1
149.13277	10.0
151.14740	2.1
151.64250	1.9
163.14848	3.1
177.16307	1.8
209.85062	2.4
247.24147	18.5
265.25168	20.3
282.27899	100.0
293.42813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Oleamide
Peak:m/z	Relative Intensity
55.05518	19.1
57.07082	31.2
67.05498	10.3
69.07073	52.7
70.07401	1.5
71.04960	1.7
71.08638	15.5
72.08171	2.7
74.53212	1.4
79.05479	3.1
81.07062	17.4
83.04968	1.7
83.08626	42.3
85.10194	3.8
86.06059	9.6
93.07054	13.5
95.08632	20.4
97.06532	14.6
97.10181	35.9
100.07634	13.3
105.69121	1.6
106.45963	1.4
107.08580	11.1
109.10172	10.7
111.08083	14.1
111.11759	14.4
114.09153	14.8
121.10173	15.7
123.11702	3.1
125.09653	3.5
128.10696	6.2
135.11688	14.5
139.11160	3.7
141.01729	1.5
142.12286	2.9
146.67976	1.6
149.13251	9.1
150.04735	1.5
153.12685	2.3
156.13838	1.9
156.71255	1.6
163.14839	2.9
177.16420	2.3
210.92850	1.8
229.66968	1.7
247.24265	20.6
253.76932	1.7
265.25235	17.2
282.27911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44367	0.2
55.01863	0.4
55.05528	0.4
57.07074	2.6
65.68077	0.2
67.05500	1.5
69.07052	1.0
71.08630	1.1
78.89161	0.3
79.05512	0.2
81.07042	1.8
83.08614	0.5
85.02911	0.5
85.06547	0.5
85.10179	0.5
85.89380	0.3
95.08598	2.5
95.99537	0.2
97.06508	1.1
100.98548	0.3
107.08566	0.3
109.10159	1.5
113.09576	0.3
121.10136	0.4
123.11704	0.4
128.98625	0.3
252.68738	0.3
265.21741	2.2
282.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
54.90240	0.4
55.05510	1.0
57.07084	3.1
67.05507	0.9
69.07072	2.9
71.08631	1.1
81.07064	2.1
83.08621	0.9
85.10153	0.6
93.07035	0.5
95.08607	2.4
97.06533	1.9
97.10201	0.7
105.09457	0.4
107.08630	0.7
109.10146	1.8
111.11748	0.6
121.10144	0.5
123.11649	0.7
140.91977	0.4
145.96768	0.5
182.24158	0.4
249.52402	0.5
265.21625	2.7
282.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.06
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
50.17199	0.4
51.33432	0.5
53.71027	0.4
53.87102	0.5
55.05507	0.8
57.07086	0.7
61.35093	0.5
67.05516	0.7
69.07043	0.9
79.05461	0.7
81.07053	1.3
83.04971	0.7
83.08636	0.9
85.02925	0.8
93.07064	0.9
95.08566	0.6
101.60583	0.5
105.03410	4.0
107.08604	0.7
108.91714	0.5
109.90411	0.6
119.04953	14.2
137.02431	0.6
141.01843	1.9
165.01843	1.3
183.02922	2.1
197.60252	0.6
219.72292	0.6
255.06363	0.8
283.06012	100.0
299.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0963
Annotation	3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
65.41705	0.2
69.07059	0.2
74.97745	0.2
81.07070	0.3
91.17164	0.3
135.93513	0.3
181.04962	1.1
237.09007	0.3
281.08051	0.9
283.09631	100.0
299.15936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0963
Annotation	Agrostophyllin
Peak:m/z	Relative Intensity
55.01858	0.5
60.69084	0.4
70.48176	0.4
108.96118	0.5
118.74280	0.4
121.06467	0.7
123.04389	1.0
132.72986	0.4
137.02341	42.6
137.03349	1.7
145.06523	3.6
147.04376	0.7
147.08055	0.8
159.09171	0.4
165.06900	0.7
166.07614	0.5
179.08536	2.2
194.07274	3.6
195.08015	1.0
200.71812	0.4
205.06381	0.6
206.07321	0.7
207.07965	0.5
209.09593	6.4
212.08339	0.7
221.05898	0.6
222.06750	3.0
223.07495	3.6
224.08212	0.9
225.05444	0.7
225.09102	1.1
237.09099	7.8
239.08006	0.8
240.07687	3.8
250.06171	1.9
251.07004	0.9
252.07788	3.7
253.04996	1.9
253.08426	0.6
255.10130	18.1
265.08493	4.5
268.07230	16.4
283.09613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20331	0.5
62.88386	0.4
63.21622	0.4
65.03940	0.6
67.05522	0.6
69.03443	3.6
69.07067	0.5
71.08621	0.5
72.44549	0.4
81.07057	0.8
83.04973	1.9
83.08624	0.5
87.04439	0.7
91.05471	3.2
93.07054	1.8
99.04412	0.6
100.15298	0.5
100.20633	0.4
102.39920	0.5
107.08555	0.5
109.06502	1.9
111.04410	0.8
115.96297	0.4
119.04939	100.0
121.10116	0.8
127.16713	0.5
129.05464	2.1
137.05959	1.1
149.13176	0.5
163.65910	0.5
168.54752	0.5
170.09023	0.5
177.05475	0.9
227.10692	2.3
251.60544	0.5
255.10139	0.5
265.10651	2.6
283.09387	1.7
283.12170	0.7
283.19189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18758	2.5
54.28650	1.8
55.01875	4.9
57.03435	10.9
67.25796	2.1
71.04993	3.8
79.05477	4.4
91.05477	14.8
93.07028	5.1
95.04958	5.5
103.05470	4.5
105.07027	5.9
106.04166	5.1
107.04940	4.9
109.06524	10.4
119.04925	5.2
121.06524	36.3
123.04443	9.8
133.06470	5.3
135.04439	11.7
137.05975	20.4
138.06754	4.9
138.46158	2.7
148.05212	17.0
149.05983	55.1
150.06715	3.6
151.03914	2.3
151.07500	4.1
153.05470	15.2
161.05977	11.5
163.03848	3.2
163.07516	11.9
165.05418	18.3
165.09000	3.7
167.07056	12.4
168.04166	3.5
168.07750	3.3
177.05481	32.2
179.07066	5.6
181.08551	19.1
183.06577	3.9
189.05362	4.5
191.07068	9.6
193.04979	5.8
193.08670	4.0
195.06442	3.3
196.07310	16.1
203.07007	4.0
207.06497	3.1
209.08067	53.3
219.06454	4.1
220.06873	2.6
221.08159	19.2
223.09673	31.8
224.06824	15.5
224.10425	26.8
233.08047	4.5
234.08836	44.6
235.06012	4.3
236.59250	2.5
239.09177	34.5
250.08328	11.2
251.09134	100.0
252.09888	22.0
253.10663	15.0
265.10596	4.7
283.09091	3.8
283.11795	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
57.03437	14.3
62.34203	2.7
71.03490	3.5
76.79082	3.3
79.05487	5.1
91.05503	5.9
93.07038	6.0
100.88950	3.8
101.72232	3.4
103.05466	6.1
105.07037	4.6
107.04977	4.2
109.06489	6.0
118.04174	3.2
119.04929	13.7
120.05732	3.9
121.06513	34.0
123.04398	4.8
135.04424	16.1
136.05313	4.3
137.05998	17.2
138.06757	6.1
139.07556	5.6
147.04430	4.9
148.05190	22.6
149.05986	49.6
150.06805	3.9
151.34439	3.5
153.05467	13.8
161.06030	5.7
163.07552	15.8
165.05443	27.4
167.07040	16.5
168.04265	3.8
168.07784	6.3
177.05472	31.1
179.07036	7.3
181.08537	28.2
183.06493	5.4
191.06950	6.8
193.04872	5.0
193.08600	6.8
194.05742	3.9
195.06364	6.5
196.07361	20.4
209.08138	60.0
218.32806	3.4
221.08089	22.5
223.09605	32.7
224.06737	14.9
224.10431	34.2
234.08894	65.2
238.08301	8.1
239.09097	37.0
250.08295	6.9
251.09142	100.0
252.09943	30.1
253.10631	14.9
265.10718	5.7
273.81598	4.4
274.38074	3.8
274.47308	3.6
275.14267	3.2
283.06284	7.6
283.11902	91.5
301.76208	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33094	0.5
73.04038	0.5
75.44254	0.5
83.08614	0.7
84.04509	18.9
87.04458	0.7
89.09493	0.6
91.05492	3.3
119.04935	3.6
127.81375	0.6
130.05005	17.9
130.05869	0.7
132.07979	0.6
136.07588	1.1
137.05986	100.0
138.08199	0.9
154.08629	15.8
157.21106	0.6
219.08435	0.9
220.09709	4.2
237.09438	2.7
237.12312	3.0
265.12094	0.6
266.10214	14.8
283.09698	2.7
283.12833	18.2
283.28384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.8
67.05511	1.5
69.03442	0.9
81.03411	1.2
81.26629	0.6
85.02914	4.7
85.06546	100.0
91.29829	0.7
93.07027	0.9
97.02900	0.8
99.96682	0.7
103.07588	5.5
114.42105	0.7
121.06528	1.4
121.08601	7.1
141.22701	0.7
173.70004	0.7
206.97635	0.8
221.40477	0.8
228.44073	0.7
228.53976	0.7
250.75467	0.9
251.07310	0.8
283.07837	0.9
283.10052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10022	0.4
57.07055	2.9
59.13559	0.5
67.05491	2.4
67.71059	0.5
69.03387	0.6
76.87058	0.5
81.48987	0.5
83.42482	0.4
85.02897	4.7
85.06547	100.0
86.20036	0.5
89.30365	0.5
103.07588	5.8
120.95284	0.5
121.06480	0.7
121.08636	4.3
127.41992	0.6
161.05911	0.7
162.06677	2.5
164.07027	0.8
177.06943	0.7
181.06238	0.5
195.08032	2.1
205.06497	6.9
223.07552	17.3
233.05977	9.5
233.60239	0.5
237.05377	0.6
237.09003	0.8
240.07686	2.2
251.04370	0.7
251.07005	30.8
265.08447	2.5
268.07199	5.8
283.09549	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.8
67.05511	1.5
69.03442	0.9
81.03411	1.2
81.26629	0.6
85.02914	4.7
85.06546	100.0
91.29829	0.7
93.07027	0.9
97.02900	0.8
99.96682	0.7
103.07588	5.5
114.42105	0.7
121.06528	1.4
121.08601	7.1
141.22701	0.7
173.70004	0.7
206.97635	0.8
221.40477	0.8
228.44073	0.7
228.53976	0.7
250.75467	0.9
251.07310	0.8
283.07837	0.9
283.10052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1691
Annotation	Diethylstilbestrol monomethyl ether
Peak:m/z	Relative Intensity
55.05507	2.8
56.32172	0.5
57.07071	3.0
60.92293	0.5
65.88316	0.5
67.05493	1.2
69.07076	5.2
70.07389	1.0
76.78613	0.6
77.09580	0.6
79.05505	0.7
81.07051	2.3
83.08631	3.2
83.11049	0.6
84.08948	1.1
91.05460	3.6
92.21503	0.6
93.07027	3.2
95.08610	2.6
97.06559	1.0
97.10172	0.9
98.10490	1.0
100.07581	0.6
105.07037	12.5
107.04974	0.9
107.08601	5.1
109.10140	1.0
119.04980	0.7
119.08584	24.9
121.06477	4.9
121.10139	49.1
133.06470	1.2
133.10126	21.6
135.11668	0.9
142.07820	1.1
145.10118	3.9
147.08041	2.4
147.11684	45.4
151.11191	0.8
157.10133	2.5
160.08803	1.3
163.11099	0.8
175.11171	21.9
177.12691	1.0
238.91914	0.6
248.24568	0.8
266.25494	1.2
283.16925	100.0
283.28149	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.92592	1.0
55.05515	2.3
57.07063	1.1
58.69679	1.0
67.05505	2.2
69.07047	1.6
76.64795	1.1
77.87086	1.1
79.05501	1.5
81.07053	6.6
83.04980	5.1
85.71616	1.3
91.05470	5.3
92.84635	1.2
93.07045	13.0
95.08615	11.1
97.06516	1.4
99.90053	1.3
105.07037	9.4
107.08593	21.8
109.10127	5.4
117.07047	2.0
119.08571	9.1
121.10117	9.9
122.09949	1.3
125.09653	11.6
129.07037	1.5
131.08580	7.8
132.69652	1.2
133.10115	8.8
135.11647	1.9
137.09531	1.4
141.06898	1.7
142.87872	1.3
143.08554	9.1
145.10150	12.3
147.11659	6.2
155.08543	5.5
157.10100	10.1
159.11681	11.2
161.13266	2.0
167.08560	2.3
168.09451	1.4
169.10155	9.7
171.11684	8.6
173.13254	3.1
175.14804	1.4
181.10141	9.7
182.10880	1.8
183.11716	17.3
185.13290	10.3
187.14822	2.5
194.10831	2.0
195.11674	9.5
197.13254	20.3
199.14819	17.5
201.16370	12.1
208.12389	1.4
209.13297	13.1
210.14046	2.8
211.14919	2.3
213.16309	1.6
221.13211	1.9
223.14764	10.9
224.15417	1.5
225.16386	6.9
227.14397	3.0
236.15541	2.1
237.16310	7.7
252.18686	4.9
253.19556	2.2
255.21011	6.5
265.19516	23.0
283.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.69496	1.5
55.05519	4.0
57.07083	2.2
67.05515	3.6
69.07077	4.1
71.08631	1.9
81.07063	13.0
82.07427	1.8
83.04983	100.0
83.08629	3.1
91.05506	1.8
93.07034	9.9
95.04976	3.4
95.08599	11.0
96.08897	2.1
105.07027	9.6
107.08591	7.9
109.06515	11.4
109.10162	3.4
119.08593	8.9
121.10129	10.7
131.06046	1.5
131.08585	14.3
133.10126	11.0
145.10146	12.2
147.11694	9.5
149.49796	1.8
157.10130	3.1
159.11699	7.9
169.10078	2.3
173.13283	4.3
175.11163	2.4
183.11761	3.3
201.16364	26.5
209.13304	2.3
225.16371	7.4
227.46770	1.8
255.20984	2.3
265.19540	3.9
283.16922	17.7
283.20538	44.7
283.27386	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
55.05511	2.0
57.27228	0.7
67.05500	4.2
69.07059	4.8
71.05006	1.0
73.69593	0.7
79.05494	4.0
81.07066	7.7
83.05002	6.0
83.08560	0.9
91.05482	4.5
93.07043	9.4
95.04984	1.7
95.08616	10.5
105.07045	8.3
107.08602	23.7
109.10168	6.0
111.08131	1.2
117.07031	1.8
118.79714	0.9
119.08583	12.8
121.10152	10.5
123.11684	1.0
125.09639	11.6
129.07007	2.1
131.08589	12.9
133.10117	6.2
135.11653	1.3
141.07001	1.8
142.07771	1.2
143.08575	10.1
145.10124	14.0
147.11710	3.5
155.08582	6.1
156.09280	1.0
157.10120	9.3
159.11693	11.9
167.08537	4.0
169.10120	7.2
171.11652	9.7
173.13274	4.9
179.08527	1.2
181.10118	7.7
182.10873	1.9
183.11676	15.8
185.13277	9.2
187.14871	1.6
194.10941	3.1
195.11674	9.9
196.12509	1.5
197.13258	23.4
199.14847	12.4
201.12837	3.5
201.16377	15.6
207.11812	1.1
208.12460	1.7
209.13261	14.5
211.14919	3.8
213.16293	1.8
221.13257	1.4
222.14037	2.0
223.14824	12.5
225.16345	7.8
227.14212	2.0
236.15620	4.2
237.16396	5.3
239.18071	1.7
240.15126	1.0
241.15953	1.2
250.17130	2.1
252.18793	4.0
253.19484	5.8
255.21098	6.3
265.19516	17.8
283.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
55.05520	2.9
57.07100	1.1
60.61787	1.3
67.05488	5.0
68.41019	1.2
69.07068	2.2
78.20300	1.1
79.05489	5.0
81.07059	11.3
83.04986	3.2
83.08602	1.3
91.05466	2.3
93.07054	12.2
95.08617	15.5
105.07032	11.5
107.08596	27.4
109.10149	5.6
119.08588	8.6
121.10133	10.2
125.09650	11.1
131.08595	10.3
133.10153	6.0
137.09659	1.3
139.89931	1.2
143.08577	11.1
145.10089	12.9
147.11702	7.5
155.08527	5.2
156.09322	1.5
157.10123	11.2
159.11644	10.7
163.11284	1.3
167.08540	2.5
169.10126	8.6
171.11681	9.5
173.13268	2.9
181.10172	7.5
182.10928	2.3
183.11644	15.9
185.13266	8.5
187.14725	2.3
194.10918	2.1
195.11684	9.5
196.12486	2.0
197.13251	19.0
199.14803	11.3
201.16359	11.5
207.11716	2.1
209.13234	14.9
211.14740	3.1
221.13353	1.8
223.07617	1.4
223.14845	13.1
225.16353	8.4
236.15501	3.1
237.16309	4.8
239.17880	1.6
240.07907	4.7
252.18704	2.6
253.19478	3.1
255.21057	3.2
265.19525	19.7
268.07278	8.2
268.18045	1.4
283.09692	19.9
283.20557	100.0
293.89209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
58.17873	1.3
62.43285	1.2
66.75136	1.2
67.05486	4.8
69.07059	1.8
70.50191	1.1
71.74142	1.3
76.31506	1.3
79.05483	5.4
81.07055	11.2
83.04974	3.2
85.57104	1.3
86.86167	1.1
91.05471	6.0
93.07043	12.7
95.04939	2.0
95.08592	8.4
100.95555	1.4
105.07035	9.6
107.08596	23.7
109.10146	7.0
111.08074	1.7
119.08536	10.0
121.10114	8.3
123.11711	1.3
125.09629	11.7
129.06995	2.3
131.08543	9.9
133.10121	6.5
141.06931	1.4
143.08574	7.2
145.10077	11.0
147.11682	5.4
155.08568	5.9
156.09348	2.0
157.10104	11.8
159.11668	8.5
159.27727	1.4
161.13252	1.9
167.08633	1.4
169.10117	8.1
171.11676	9.0
173.13246	5.1
175.11105	1.6
181.10088	7.9
182.10931	1.9
183.11684	14.5
185.13260	7.7
194.11011	2.0
195.11678	7.9
197.13263	21.0
199.14815	11.7
201.16353	10.8
208.12619	1.3
209.13277	11.6
211.14749	2.9
223.14761	8.6
225.16335	8.6
227.14331	2.7
227.17841	1.8
236.15559	1.6
239.17947	2.3
252.18619	2.5
253.19505	6.3
255.21117	3.1
265.19556	17.0
283.10825	15.2
283.20535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24210	1.7
54.36480	1.7
62.36552	1.7
67.05511	5.0
69.07065	2.5
70.90472	2.0
79.05508	5.4
81.03437	2.3
81.07064	12.2
83.05000	5.3
83.08640	2.5
91.05495	2.9
91.18314	1.9
93.07050	14.5
95.04935	2.9
95.08608	14.8
105.07008	9.7
107.08612	25.5
109.10186	4.2
117.07016	3.5
119.08569	10.4
121.10172	12.5
125.09655	12.6
129.07007	2.4
131.08609	9.7
133.10120	8.3
135.11726	3.6
141.07155	2.2
143.08592	10.7
145.10147	11.6
147.11766	2.7
155.08528	3.5
157.10124	11.1
158.90674	2.1
159.11673	5.3
169.10156	5.1
171.11632	4.9
173.13229	4.1
181.10118	8.3
183.11678	15.0
185.13232	12.0
195.11662	9.1
197.13246	18.7
199.14844	14.8
201.16383	11.3
209.13301	12.6
223.14862	12.3
225.16377	9.4
236.15549	2.9
237.16394	4.2
255.21149	3.6
265.19513	17.0
268.07327	4.5
283.09485	15.6
283.20569	100.0
283.23715	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2267
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
54.73763	1.3
55.01884	36.5
55.05523	23.9
57.03428	5.6
57.07077	7.4
59.31398	1.2
67.05517	29.0
68.05020	1.7
68.32010	1.3
69.07075	16.6
71.04992	2.3
73.06578	1.6
79.05495	14.7
81.07067	36.1
83.04987	11.6
83.08627	18.6
85.06544	2.8
85.10197	6.3
91.05489	2.7
93.07040	21.7
95.08610	30.4
97.06518	8.2
97.10170	9.9
99.08080	3.0
105.07004	3.0
107.08600	22.3
109.10162	19.9
110.35652	1.5
111.08086	83.1
113.09628	6.5
119.08540	2.4
121.10138	27.4
123.11678	12.8
125.09651	2.0
131.08572	6.2
133.10124	2.5
133.20119	1.5
134.65526	1.6
135.11696	13.2
137.09630	1.9
137.13235	2.0
139.11189	7.7
141.09100	2.2
141.12749	2.6
145.10083	3.2
147.11671	1.9
149.09639	6.4
149.13271	8.2
151.11148	2.1
153.12686	2.2
155.10730	11.5
159.11700	3.3
163.11223	2.3
163.14960	1.9
167.10622	3.6
167.14336	2.8
181.12206	6.7
195.13780	2.6
203.80382	1.8
205.19540	2.9
215.17839	5.8
223.20547	14.2
233.19051	8.9
251.20038	100.0
283.15445	3.0
283.22955	6.0
283.28250	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.5
57.03453	2.9
57.07073	4.3
60.93057	2.6
67.05510	29.0
69.07063	7.4
79.05494	23.5
81.07069	33.9
83.04948	3.4
83.08598	26.1
85.06496	3.7
91.05471	26.1
93.07052	38.3
95.04988	3.1
95.08606	38.6
97.06541	13.9
97.10155	4.4
99.08083	5.9
105.07043	7.5
107.08585	33.5
109.10154	18.5
111.08090	3.1
117.07049	4.5
119.08578	31.8
121.10146	84.1
123.08066	6.7
123.11707	3.7
125.09660	6.5
131.08574	14.2
133.10112	35.9
135.08069	7.7
135.11688	38.0
137.09619	41.5
137.13329	3.1
139.07518	5.5
139.11208	4.1
145.10059	5.2
147.11708	26.1
149.09613	15.7
149.13243	3.5
151.10106	3.4
151.11147	24.5
153.09123	13.0
163.14832	3.2
171.11723	4.7
188.54878	3.2
196.96664	3.0
203.17986	6.8
204.09142	2.9
209.07993	3.3
213.16415	28.6
231.17458	29.3
248.20067	11.9
249.18483	98.1
265.14334	6.3
266.21161	100.0
268.07254	3.8
283.09705	40.4
283.20764	10.3
283.23822	46.6
292.46808	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.8
57.07087	20.6
57.09346	1.6
58.07409	2.7
61.08281	1.8
67.05502	3.6
69.07069	20.7
70.07407	8.5
71.08636	9.1
81.07047	10.0
82.07401	2.6
83.04966	1.9
83.08637	15.3
84.08958	4.8
85.10167	7.1
86.06036	2.7
92.20867	3.9
92.72923	1.9
93.07024	5.3
95.08587	11.6
97.06497	3.6
97.10164	9.2
97.50180	2.0
98.10501	3.2
100.07590	2.6
105.07042	8.9
107.08589	2.5
108.08916	2.6
111.11761	3.2
114.09167	2.5
119.08575	10.8
121.06458	2.2
121.10137	33.8
122.24588	2.1
133.10133	17.9
135.11754	2.5
147.11684	29.2
150.13684	2.1
169.12259	3.7
175.11174	15.1
181.04536	2.1
196.51422	2.0
197.46887	2.1
248.24568	4.6
266.25586	8.8
283.16928	65.8
283.20224	3.6
283.28226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.4
55.35663	1.8
56.05847	2.9
57.07069	16.6
58.07403	3.7
67.05502	9.3
69.07076	25.6
69.96440	2.2
70.07401	5.1
71.08634	3.7
79.05494	3.1
81.07042	10.2
83.08618	23.0
84.08935	5.1
85.10181	2.8
88.02274	2.2
91.05490	2.8
93.07040	5.3
95.08615	5.3
96.08933	4.1
97.06560	7.5
97.10159	15.7
98.10490	11.0
100.07597	2.2
105.07043	8.8
107.08595	3.5
108.08942	2.7
109.10130	10.6
110.10503	2.2
111.11723	4.0
112.12047	2.9
114.09152	4.4
117.59895	2.0
119.08603	21.4
119.59024	2.1
121.06579	3.2
121.10139	40.6
122.10502	2.5
125.09616	3.6
128.10672	2.3
133.10118	17.8
135.11699	4.0
136.12032	3.6
137.41830	2.4
142.96617	2.4
147.11665	41.5
149.47958	2.6
163.11133	3.9
175.11203	21.8
210.58015	2.3
248.24561	9.5
266.25577	14.1
280.91861	2.5
283.14435	3.8
283.16928	100.0
283.20111	7.2
283.28256	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74354	0.6
67.43655	0.6
85.60361	0.7
90.38054	0.6
99.99138	0.7
109.76389	0.6
117.14892	0.7
119.01994	1.0
136.50261	0.7
158.97246	0.9
176.98303	0.8
196.91553	0.7
202.15779	0.7
218.99400	1.4
219.01988	8.4
225.00873	1.2
226.95322	0.8
243.02005	9.2
261.03036	100.0
284.04523	1.2
284.29459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13295	0.3
56.05034	0.3
62.06803	0.3
64.70204	0.3
66.96494	0.3
70.06583	0.6
85.02941	0.3
86.06052	0.3
87.04448	0.3
91.06010	0.3
98.06043	0.6
105.07054	0.4
108.08210	0.3
116.07103	0.5
118.90701	0.3
121.02861	1.4
121.06507	0.5
122.03198	1.6
136.07565	0.4
137.05875	0.4
145.00771	0.3
164.07022	0.8
166.08600	0.8
183.12527	1.4
190.51085	0.3
194.08112	0.3
206.08130	0.5
207.06563	0.3
210.07600	9.4
238.17931	1.9
239.09358	3.8
240.10092	0.3
242.10222	0.6
252.08688	3.9
266.08041	0.6
266.13724	0.5
267.08469	0.4
269.06750	1.5
284.09137	100.0
284.18430	1.7
307.26828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0914
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
55.01870	0.5
58.87456	0.4
100.19984	0.6
139.61589	0.6
162.64758	0.5
191.44937	0.6
195.07912	0.9
196.08548	0.7
223.07368	2.1
235.07480	0.9
238.08449	0.8
241.08606	4.9
251.06749	2.9
252.07462	1.0
269.08051	8.2
273.82211	0.6
283.09464	0.7
284.09064	100.0
302.30927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28062	0.2
60.81540	0.2
62.99282	0.2
94.50039	0.2
97.26178	0.3
156.45250	0.2
162.05479	2.1
182.56331	0.3
238.08617	1.7
240.10077	0.3
254.08107	0.4
256.09702	0.4
266.08139	0.4
268.09756	0.3
269.06769	2.1
284.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72195	0.3
72.14606	0.3
238.08655	1.6
240.10081	0.5
269.06808	1.9
284.09171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
58.87456	0.4
100.19984	0.6
139.61589	0.6
162.64758	0.5
191.44937	0.6
195.07912	0.9
196.08548	0.7
223.07368	2.1
235.07480	0.9
238.08449	0.8
241.08606	4.9
251.06749	2.9
252.07462	1.0
269.08051	8.2
273.82211	0.6
283.09464	0.7
284.09064	100.0
302.30927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0987
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.01192	0.2
55.01887	0.3
56.96557	0.2
57.65264	0.2
67.01174	0.2
70.06587	0.9
73.02911	0.2
73.45060	0.2
84.08153	3.2
85.02904	0.9
85.08474	1.3
87.04463	1.8
96.20264	0.2
100.39222	0.3
110.03504	0.3
117.62490	0.2
121.06499	0.5
127.05045	0.2
135.03047	1.0
137.05988	0.6
139.11868	0.2
141.10214	0.3
146.51027	0.2
152.05676	100.0
153.04097	2.8
164.58961	0.3
185.21216	0.3
195.02722	0.4
215.19756	0.3
226.99248	0.3
237.22679	0.2
248.12221	0.3
261.02805	0.3
284.11328	0.9
284.14136	0.9
284.29495	0.4
305.16693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01566	0.3
57.03429	0.7
85.02908	19.4
91.05469	3.7
102.05559	0.5
106.78645	0.4
107.07719	0.4
119.04930	2.6
122.18686	0.4
130.05016	0.6
133.61867	0.4
137.05980	100.0
142.26378	0.4
144.56885	0.4
154.08630	23.9
169.73224	0.4
196.94351	0.4
220.09679	6.1
238.10715	22.1
284.11319	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59678	0.3
57.03440	0.7
59.94999	0.3
69.34244	0.3
71.80945	0.3
78.30756	0.3
85.02909	21.7
91.05477	3.8
102.05544	0.7
117.70866	0.4
119.04924	2.6
122.49449	0.4
130.05011	0.5
131.01657	0.4
131.03386	0.5
137.05981	100.0
154.07378	0.8
154.08629	24.2
162.05499	0.6
165.05539	0.5
176.07127	0.7
177.05406	0.4
183.85513	0.3
193.05005	0.7
214.43694	0.3
220.09680	5.7
221.04384	0.4
238.10724	21.5
266.10269	0.6
284.11258	19.6
284.18292	0.5
284.29361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1279
Annotation	(+)-Semecarpine
Peak:m/z	Relative Intensity
50.74335	0.2
51.20547	0.2
58.47159	0.2
60.20696	0.2
60.28901	0.2
65.03662	0.2
70.12276	0.2
70.17808	0.2
109.74209	0.2
134.05107	0.3
137.02325	1.5
137.05989	1.2
138.02687	1.3
151.86548	0.2
154.08643	0.2
162.05481	1.3
204.13812	0.2
210.09827	0.2
223.09834	0.4
224.07803	0.2
226.08658	0.2
238.08775	1.2
239.09492	0.4
240.06584	1.4
240.10172	10.1
252.10167	1.0
254.04413	0.4
254.08112	1.4
256.10242	1.5
266.08301	0.4
268.06094	2.6
268.09674	12.5
269.06995	4.8
269.10468	15.5
282.07498	0.2
284.09210	100.0
284.12775	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66003	1.1
62.81203	1.1
68.84808	1.0
97.48004	1.3
99.04440	1.3
105.07030	88.5
118.06522	9.8
118.07202	1.2
122.09612	5.2
125.11279	1.3
132.07941	1.3
134.09653	32.6
145.04834	1.2
146.05988	21.9
146.09605	2.2
162.05690	1.4
164.10649	2.0
167.08485	2.1
176.07021	5.1
178.08626	26.0
188.10529	1.3
195.08054	13.8
206.11742	1.4
207.08038	16.6
209.05815	1.4
223.05466	1.4
223.07515	35.0
224.08171	1.5
235.05579	1.3
235.07495	21.8
239.10736	1.5
241.08383	1.9
248.12769	16.6
252.07663	1.7
255.10234	11.7
266.13858	100.0
267.09952	5.4
284.09125	6.6
284.12610	90.2
284.61194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66003	1.1
62.81203	1.1
68.84808	1.0
97.48004	1.3
99.04440	1.3
105.07030	88.5
118.06522	9.8
118.07202	1.2
122.09612	5.2
125.11279	1.3
132.07941	1.3
134.09653	32.6
145.04834	1.2
146.05988	21.9
146.09605	2.2
162.05690	1.4
164.10649	2.0
167.08485	2.1
176.07021	5.1
178.08626	26.0
188.10529	1.3
195.08054	13.8
206.11742	1.4
207.08038	16.6
209.05815	1.4
223.05466	1.4
223.07515	35.0
224.08171	1.5
235.05579	1.3
235.07495	21.8
239.10736	1.5
241.08383	1.9
248.12769	16.6
252.07663	1.7
255.10234	11.7
266.13858	100.0
267.09952	5.4
284.09125	6.6
284.12610	90.2
284.61194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66003	1.1
62.81203	1.1
68.84808	1.0
97.48004	1.3
99.04440	1.3
105.07030	88.5
118.06522	9.8
118.07202	1.2
122.09612	5.2
125.11279	1.3
132.07941	1.3
134.09653	32.6
145.04834	1.2
146.05988	21.9
146.09605	2.2
162.05690	1.4
164.10649	2.0
167.08485	2.1
176.07021	5.1
178.08626	26.0
188.10529	1.3
195.08054	13.8
206.11742	1.4
207.08038	16.6
209.05815	1.4
223.05466	1.4
223.07515	35.0
224.08171	1.5
235.05579	1.3
235.07495	21.8
239.10736	1.5
241.08383	1.9
248.12769	16.6
252.07663	1.7
255.10234	11.7
266.13858	100.0
267.09952	5.4
284.09125	6.6
284.12610	90.2
284.61194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.128
Annotation	Norcinnamolaurine
Peak:m/z	Relative Intensity
59.66003	1.1
62.81203	1.1
68.84808	1.0
97.48004	1.3
99.04440	1.3
105.07030	88.5
118.06522	9.8
118.07202	1.2
122.09612	5.2
125.11279	1.3
132.07941	1.3
134.09653	32.6
145.04834	1.2
146.05988	21.9
146.09605	2.2
162.05690	1.4
164.10649	2.0
167.08485	2.1
176.07021	5.1
178.08626	26.0
188.10529	1.3
195.08054	13.8
206.11742	1.4
207.08038	16.6
209.05815	1.4
223.05466	1.4
223.07515	35.0
224.08171	1.5
235.05579	1.3
235.07495	21.8
239.10736	1.5
241.08383	1.9
248.12769	16.6
252.07663	1.7
255.10234	11.7
266.13858	100.0
267.09952	5.4
284.09125	6.6
284.12610	90.2
284.61194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56427	0.4
63.16373	0.3
68.11337	0.4
69.03427	0.7
70.06577	0.9
72.04440	0.4
79.05490	0.7
81.03406	0.7
85.02902	0.8
85.06544	0.7
91.05465	0.7
94.11035	0.4
97.02882	0.8
99.04469	0.9
103.05485	0.5
105.07035	83.1
117.06970	0.9
118.06548	0.5
121.06487	0.6
122.09667	3.3
127.03901	1.1
129.07043	0.8
132.08073	0.9
134.09654	37.0
145.05132	0.4
146.06004	1.1
146.09639	2.0
164.10669	3.1
178.08661	2.1
188.10681	0.9
195.08072	0.7
204.10074	0.8
206.11794	1.9
223.07579	2.0
235.07530	0.9
248.12784	13.2
252.07645	0.6
255.10229	1.1
266.13861	100.0
284.09274	0.9
284.12662	7.2
284.15442	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1489
Annotation	Codonopsinol
Peak:m/z	Relative Intensity
69.03414	1.0
79.05509	1.0
85.02901	1.4
91.56654	0.5
97.02882	1.2
103.05483	0.6
105.07033	79.8
117.06947	0.8
119.07318	0.6
122.09641	3.4
127.03957	0.8
134.09656	27.3
137.05952	5.7
143.05800	0.8
146.09604	2.5
164.10689	3.0
200.10707	3.8
204.10104	0.9
206.11761	1.0
225.07507	2.7
238.10722	1.4
248.12791	19.0
266.13858	100.0
284.09119	17.4
284.12567	1.5
284.15115	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.2
57.07081	18.4
67.05515	16.4
69.07068	39.4
70.07412	2.2
71.04980	1.8
71.08620	2.2
77.35165	1.9
79.05499	4.9
81.07063	35.0
83.08615	32.2
85.10186	72.2
87.04491	3.0
91.05482	2.4
93.07039	12.0
95.08601	35.6
97.06525	8.1
97.10176	26.8
106.70802	1.8
107.08627	2.9
109.10143	19.2
111.11723	10.8
113.09641	65.2
114.42737	1.9
119.08580	4.1
121.10140	24.6
123.11693	13.0
125.13231	2.4
133.10143	3.6
135.11713	4.3
137.13313	3.5
141.12755	2.7
143.66202	2.0
147.11674	5.0
149.13229	4.1
151.14838	1.9
153.12694	2.0
154.33693	2.0
161.13248	4.1
163.57903	2.5
167.14302	2.4
175.14813	2.7
179.14305	2.4
231.21056	8.7
239.23766	8.4
249.22174	14.7
267.23178	2.6
270.75433	2.1
284.25827	46.1
284.28647	6.2
284.32721	2.3
285.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	15.2
57.07084	89.1
59.04994	2.5
61.35437	2.0
62.91168	1.8
65.32078	1.6
67.05506	38.4
69.07075	41.6
71.04997	2.2
71.08631	100.0
79.05460	1.9
80.96834	2.0
81.06622	3.8
81.07061	83.7
83.05005	2.4
83.08627	48.4
89.44186	2.2
91.05479	4.1
93.07047	17.3
95.08608	54.9
97.06503	2.7
97.10171	25.7
100.81033	2.0
106.17651	2.2
107.08570	7.9
109.10164	38.7
110.85378	1.8
111.08084	8.7
111.11717	11.8
119.08572	11.0
121.10136	12.9
123.08043	4.0
123.11701	38.2
125.13248	3.8
133.10156	16.4
135.11710	9.8
137.13298	4.4
139.11122	2.8
141.12750	59.3
147.11615	8.2
149.13260	4.6
151.11174	3.2
161.13243	4.7
165.12738	3.5
165.16418	3.1
175.14853	4.8
179.14288	4.2
189.09996	2.2
216.30475	1.9
221.22563	8.6
231.21075	23.6
239.23767	3.5
249.22133	28.7
267.23123	22.4
284.06339	11.8
284.25867	56.5
284.32968	2.3
285.24237	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40728	2.2
52.93766	2.1
54.45580	1.9
55.05514	3.6
57.07083	26.9
59.84442	2.1
67.05514	24.5
69.07065	23.8
71.08623	38.4
74.33746	2.3
81.07062	42.7
83.08606	18.1
85.10159	2.1
87.86770	2.3
95.08606	30.7
97.10155	12.9
105.07103	2.2
107.08573	2.9
109.10148	19.0
111.11696	11.2
116.07070	4.7
121.10144	2.3
123.11702	14.3
125.19740	2.4
133.10152	11.2
135.11720	3.0
141.12715	21.8
147.11674	2.9
149.13249	4.3
164.49895	2.5
221.22621	3.2
224.23660	10.6
231.21068	10.8
249.22104	12.1
266.24796	9.7
267.23157	12.5
284.09555	2.7
284.13599	2.6
284.25854	100.0
284.28802	4.6
284.33099	13.2
285.24298	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
54.44762	0.5
57.07069	1.3
67.40518	0.4
67.67930	0.4
71.08643	1.0
72.04510	1.3
83.63396	0.5
85.10149	0.5
102.09155	0.9
113.21191	0.5
116.10725	4.4
121.96827	0.5
126.48910	0.6
130.12270	1.1
134.18762	0.5
143.83649	0.5
147.85455	0.5
147.86609	0.6
182.61629	0.6
248.34781	0.6
284.29465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.331
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
53.36237	0.3
55.87336	0.3
57.07074	2.1
58.06612	0.6
59.37603	0.4
59.96608	0.3
60.08166	9.0
61.48515	0.3
61.63254	0.3
66.25715	0.3
82.18444	0.4
85.10171	0.7
140.26826	0.4
179.53606	0.4
184.95645	0.4
192.33102	0.4
284.16135	0.5
284.33105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0392
Annotation	Coccineone A
Peak:m/z	Relative Intensity
51.26536	0.4
84.08140	0.5
85.02900	0.8
92.20903	0.8
106.07310	0.6
121.43497	0.6
139.05360	1.2
157.06505	3.4
161.05960	1.1
167.04881	3.3
173.05957	0.9
183.04509	0.8
185.05962	4.3
187.03915	1.3
195.04353	5.3
201.05479	2.1
211.03931	3.6
213.05467	64.0
215.03394	13.5
223.03888	9.3
225.09021	2.2
229.04950	13.2
239.03424	2.6
253.08694	4.1
257.04440	21.0
267.02820	0.8
285.03931	100.0
285.11057	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Obtusifolin
Peak:m/z	Relative Intensity
50.44383	0.1
57.74462	0.1
59.25638	0.1
65.03947	0.4
73.95390	0.2
74.74881	0.1
104.96206	0.1
105.03384	0.2
111.04427	0.2
112.40630	0.2
121.02859	100.0
137.05876	0.2
139.99774	0.2
161.06012	0.2
163.03902	0.8
165.07039	0.2
181.08543	0.9
193.06451	0.2
221.06071	0.6
225.09085	0.7
239.07063	0.9
242.05936	0.2
242.92311	0.2
253.08629	1.0
267.06494	41.7
270.05356	0.2
270.08704	0.2
281.15543	0.2
285.07590	8.9
285.11139	1.4
285.22128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.02456	0.4
61.70967	0.4
67.05505	0.5
67.33076	0.4
69.07060	0.4
81.07066	0.8
86.64955	0.5
95.08601	0.7
97.71127	0.5
109.28131	0.5
116.13105	0.5
119.08633	0.7
119.12649	0.5
123.11720	0.6
131.89865	0.5
147.11711	0.8
153.01830	1.0
161.05946	1.1
175.11221	1.0
181.04953	2.7
193.06560	0.8
210.06810	0.6
213.06580	1.9
221.05981	1.9
221.59764	0.5
225.09081	4.3
242.05701	4.7
253.08533	5.9
270.05267	9.7
285.07584	100.0
285.11002	6.5
285.22098	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33133	0.3
54.76640	0.2
55.39372	0.2
59.05187	0.3
62.74220	0.2
63.63840	0.3
81.07047	0.3
85.15498	0.3
89.45593	0.3
91.74914	0.3
92.20964	0.4
108.72675	0.3
123.04664	0.3
126.00225	0.3
133.06512	0.4
153.01801	1.9
171.03075	0.4
212.58942	0.3
223.58800	0.3
225.08965	1.1
234.21573	0.3
239.07080	0.4
242.05656	4.0
253.08496	2.4
254.09425	0.4
270.05203	8.0
285.07562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
66.43780	0.3
83.70507	0.3
91.60789	0.3
102.08255	0.3
115.11202	0.4
119.13644	0.3
133.06473	1.3
153.01828	3.5
153.42738	0.3
156.10031	0.3
159.04425	0.8
171.02853	0.4
239.07022	0.5
242.05716	3.8
270.05188	8.3
285.07562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.02907	0.3
54.93580	0.2
57.19509	0.2
57.21762	0.2
57.40758	0.3
59.86940	0.3
63.11679	0.3
67.59357	0.3
81.07073	0.3
91.68877	0.3
93.07041	0.4
95.17413	0.3
105.07018	0.5
107.08581	0.7
121.10137	0.6
133.10129	1.2
141.41809	0.3
144.02748	0.3
147.11693	0.5
153.01837	0.7
183.11766	0.5
197.13185	0.5
211.14694	0.6
242.05737	4.7
267.21063	0.6
270.05200	9.7
285.07556	100.0
285.22043	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93616	0.4
65.71995	0.4
89.84618	0.4
93.44482	0.4
105.06109	0.4
126.12457	0.4
133.06473	1.6
153.01805	1.0
242.05684	5.0
270.05246	9.4
270.75427	0.4
285.07553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51446	0.3
53.80637	0.3
57.97308	0.3
68.25922	0.3
75.52254	0.3
80.16023	0.3
81.07027	0.4
81.15125	0.3
133.06506	0.5
135.04427	0.5
153.01826	2.2
159.04356	0.5
171.02986	0.6
218.93361	0.4
242.05743	5.7
270.05231	8.8
285.07562	100.0
285.22073	1.4
296.05548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.09777	0.5
55.08963	0.4
108.96603	0.5
133.06567	0.9
147.11755	0.5
153.01845	2.2
199.57817	0.5
238.93633	0.6
242.05711	5.6
269.54071	0.6
270.05157	8.8
285.07568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
60.73439	0.3
63.06546	0.3
66.47653	0.3
78.43915	0.3
79.17823	0.3
89.48726	0.3
89.98779	0.3
103.31045	0.3
120.68562	0.4
133.06503	1.4
135.04361	0.4
139.60889	0.4
153.01874	3.2
159.04387	0.6
171.02797	0.5
240.73926	0.4
242.05748	4.6
253.42818	0.4
260.16330	0.4
261.07605	0.4
270.05157	8.7
283.75473	0.4
285.07571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
67.05510	0.6
69.07044	0.3
79.05459	0.3
81.03431	0.3
81.07058	1.5
83.08614	0.3
93.07034	1.4
95.08605	1.5
105.07021	1.0
107.08575	1.0
109.10159	1.1
119.08611	0.5
121.10117	1.1
127.03084	0.3
128.11003	0.3
131.08577	0.6
133.06462	1.1
133.10136	0.4
135.11703	0.5
145.10120	0.6
147.11696	0.4
153.01772	1.3
159.11690	0.4
168.34389	0.3
171.11713	0.3
183.11655	0.4
197.13272	0.4
199.14816	0.3
201.16470	0.3
211.14818	0.3
227.17798	0.3
242.05679	5.9
247.40422	0.2
260.30463	0.3
267.21078	0.6
270.02304	0.4
270.05212	10.0
270.08322	0.3
285.07559	100.0
285.22058	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.29593	0.3
53.58548	0.3
55.46769	0.2
100.09100	0.4
111.38946	0.3
133.06517	0.3
153.01822	1.6
205.01894	0.3
242.05742	5.1
270.05212	10.1
275.75220	0.4
285.07559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
57.35176	0.2
62.44133	0.3
105.03419	0.5
112.68533	0.3
144.33633	0.3
167.03345	0.5
172.85782	0.3
179.03366	0.6
183.47087	0.4
201.57095	0.3
283.05875	0.5
285.07550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Acacetin
Peak:m/z	Relative Intensity
58.67587	0.2
67.05502	0.6
69.07071	0.6
71.20544	0.2
79.05508	0.6
79.45155	0.3
81.03413	0.3
81.07064	3.0
83.04994	0.6
83.08614	0.5
91.05494	0.4
93.07070	2.0
95.08607	1.9
105.07009	1.9
107.08600	1.8
109.06522	0.6
109.10149	1.1
117.07040	0.3
119.08578	1.9
121.10116	1.2
129.07004	0.3
131.08537	0.6
133.06532	0.6
133.10110	1.8
135.08061	0.6
135.11646	0.6
137.09666	0.4
143.08479	0.3
145.10104	1.4
147.11652	1.2
149.05931	0.4
151.07532	0.3
151.11188	0.3
153.01866	1.2
157.10115	0.5
159.11678	1.6
161.09518	0.4
161.13213	0.4
166.56053	0.3
169.10124	0.6
169.12294	0.5
173.13248	1.0
175.11139	0.4
175.14812	0.4
181.75261	0.3
183.11824	0.4
185.13252	0.4
191.20399	0.3
197.13286	0.3
199.14839	0.5
206.01880	0.3
207.58952	0.3
211.14775	1.5
217.15750	0.3
225.16347	0.3
239.18111	0.3
240.23227	3.8
242.05727	5.2
243.13783	0.4
266.12204	0.3
267.21082	1.4
270.05194	9.7
285.07565	100.0
285.22067	6.5
285.28983	1.8
305.86853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.31186	0.3
55.01877	0.3
55.05507	1.4
58.24472	0.2
64.05711	0.3
67.05501	2.1
69.07059	0.5
69.20036	0.2
72.33064	0.3
74.97533	0.3
79.05432	0.4
81.07064	4.1
83.04982	0.5
83.08627	0.4
91.05487	1.3
93.07031	1.7
95.04967	0.4
95.08572	2.5
103.87678	0.3
105.07031	3.5
107.08606	2.5
109.06473	0.4
109.10162	3.8
117.07020	0.4
119.08575	2.4
121.10130	1.4
123.08107	0.5
131.08524	2.6
133.06462	0.7
133.10129	1.9
133.43185	0.3
135.08116	0.3
135.11699	0.5
137.09607	0.4
143.08546	1.2
145.10101	2.4
147.11700	1.8
149.09610	0.3
151.11108	0.5
153.01820	1.7
155.08536	0.5
157.10081	1.2
159.04506	0.3
159.11656	2.3
161.09572	1.3
161.13246	1.2
169.10176	0.5
171.11653	1.2
173.13281	1.1
175.11070	0.4
175.14822	0.5
183.11676	1.6
185.13246	0.7
187.14774	1.2
189.12756	0.5
197.13159	0.7
199.14801	1.5
201.12706	0.4
201.16316	0.4
203.14285	0.5
211.14865	1.1
225.16373	0.6
227.17937	0.5
229.15906	0.5
242.03502	0.5
242.05708	5.5
267.17294	0.4
267.21072	2.9
270.05212	9.6
285.07556	100.0
285.18445	3.2
285.22073	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
65.14527	0.5
83.98832	0.5
85.82008	0.5
100.22856	0.6
107.08583	1.0
121.10123	0.5
125.33356	0.5
136.19324	0.7
145.42944	0.5
152.90947	0.5
153.01860	2.6
160.22618	0.5
193.06432	0.7
197.13248	0.7
197.66113	0.6
221.06152	0.6
225.08968	0.8
242.05809	4.8
253.08545	2.4
253.19415	0.6
270.05164	9.2
285.07562	100.0
285.21991	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98347	0.3
62.78373	0.3
63.20498	0.4
77.62545	0.5
81.07036	0.4
90.62902	0.4
95.98580	0.4
107.93224	0.4
119.08574	0.4
124.19312	0.4
133.06487	0.8
145.10338	0.5
153.01807	1.6
229.15921	0.4
242.05756	5.4
270.05228	9.3
285.07581	100.0
285.22110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.5
66.96884	1.4
70.06590	9.7
70.10051	1.4
73.53626	1.4
84.08148	10.1
85.64394	1.5
86.09701	7.8
86.88778	1.4
107.04972	11.6
121.02907	1.9
121.06504	8.0
123.04414	1.6
129.10249	3.7
133.06512	2.3
135.04359	1.5
137.06021	2.2
145.06593	1.5
149.05981	2.0
150.06775	3.8
159.04379	1.7
161.05904	2.6
165.06970	2.3
179.08574	3.0
182.07275	2.7
193.06451	2.9
197.09618	5.9
207.08028	7.3
210.06674	16.5
221.05952	26.3
224.04643	8.1
225.09082	25.8
235.07491	3.3
242.05710	8.1
253.08606	20.0
255.06433	2.9
257.10062	2.1
257.12540	2.0
267.10428	2.9
270.05209	15.4
270.08704	9.0
285.07584	98.8
285.11328	100.0
285.21725	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
51.01939	0.4
52.31458	0.5
57.02439	0.4
59.94935	0.4
61.65508	0.4
68.58485	0.4
70.17040	0.6
71.89838	0.4
80.05362	0.5
91.05494	1.0
94.45523	0.5
95.05002	0.5
103.05472	14.2
105.03433	0.5
107.04949	0.8
111.69324	0.5
111.86578	0.4
131.04927	59.8
151.07516	1.1
173.05994	3.3
179.07033	2.1
181.04945	100.0
194.05630	0.8
243.10106	0.6
270.05252	0.8
285.07587	30.6
285.11179	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
54.52790	0.4
55.56102	0.4
57.07072	0.7
65.87812	0.5
69.07079	0.5
71.08642	0.8
71.69016	0.4
79.05491	0.9
81.07037	0.9
83.08603	0.6
84.40550	0.6
84.81789	0.5
91.05454	2.5
95.08613	1.2
103.05465	6.8
105.03390	0.8
107.04989	0.8
109.10123	0.7
119.08617	0.5
123.11658	0.7
131.04932	57.1
133.10081	0.6
168.74921	0.6
173.05988	3.1
179.07045	3.4
181.04948	81.7
199.05930	0.8
242.05692	2.9
243.10127	1.1
267.10416	0.5
270.05215	6.4
285.07578	72.7
285.11194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.21595	0.3
59.72738	0.3
61.05481	0.4
65.77975	0.4
67.05506	1.0
71.08620	0.4
72.86903	0.3
81.07055	0.9
93.07003	0.5
95.04954	0.7
95.08607	0.6
95.47421	0.4
103.05453	3.8
105.03403	1.8
107.05004	0.5
107.08637	0.4
122.54394	0.4
125.83623	0.4
129.07027	0.5
131.04927	25.9
132.16417	0.4
133.06479	0.6
144.10486	0.4
151.04118	0.4
173.05931	0.5
179.07008	0.8
181.04942	39.6
197.09555	0.5
242.05707	4.1
270.05188	7.9
285.07571	100.0
285.11169	46.6
285.21994	2.1
301.34445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
64.92992	0.4
77.82355	0.5
99.98671	0.5
104.87081	0.5
131.04918	1.2
138.03146	2.0
153.01848	0.7
156.12244	0.5
166.02594	1.8
181.04950	100.0
246.02155	0.5
285.07599	7.7
285.11212	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
57.75019	0.3
70.15699	0.3
75.74775	0.3
79.05475	0.4
84.90606	0.4
105.07059	0.5
118.71684	0.4
131.04916	2.4
138.03064	0.4
153.01857	0.6
166.02600	1.6
181.04951	100.0
184.03722	0.7
193.04913	0.9
269.07965	0.9
270.08786	0.7
285.11200	41.5
285.21902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58688	1.1
51.97243	1.2
55.01878	1.6
57.02287	0.9
57.03441	2.4
58.06594	1.3
58.82283	1.0
71.75054	1.1
75.04518	1.2
80.38306	1.0
87.77229	1.3
91.05482	8.9
95.04964	1.2
101.59043	1.1
103.05519	1.4
105.03396	2.1
105.07051	12.6
107.04951	5.6
109.06551	1.5
119.04942	15.8
121.05745	1.2
121.06480	9.9
123.08038	1.9
127.06220	1.0
128.74934	1.5
133.06511	15.2
135.04352	1.2
136.05157	1.8
137.06009	1.7
140.04663	7.4
140.05708	1.3
145.70688	1.5
147.04410	5.9
149.05983	14.2
151.07541	12.3
153.05469	38.4
161.05977	32.5
165.05444	2.3
167.07042	11.7
168.07811	100.0
179.07019	5.6
181.08620	2.1
193.06845	1.5
193.08603	33.9
196.07312	58.3
209.08109	6.2
211.09644	43.3
221.05989	1.7
225.09102	5.2
253.08557	5.4
272.72128	1.3
285.09564	17.5
285.18146	2.0
286.04733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45316	1.5
52.25272	1.3
59.55949	1.2
59.85448	1.4
61.47318	1.5
69.03442	2.5
69.82059	1.5
70.06608	2.4
70.25011	1.4
75.65793	1.3
76.15141	1.3
79.05494	2.2
81.03433	10.5
85.02903	2.3
87.03231	2.8
87.04465	7.4
92.21638	2.0
94.06563	1.8
99.04465	3.6
106.06568	8.6
107.07350	25.9
108.08087	2.1
120.08089	1.5
121.07620	1.5
123.09194	99.0
124.07588	45.1
127.03880	2.7
133.07629	10.7
135.09190	14.5
138.05502	1.9
143.05809	1.7
148.07611	2.0
148.51865	1.5
149.10753	8.5
152.05687	3.5
152.06844	1.5
153.07556	2.3
161.06931	2.9
164.21085	1.5
165.10184	10.9
174.09201	2.4
189.10213	6.5
191.11784	2.5
201.10214	51.8
205.09790	6.9
213.10260	2.9
231.11287	15.0
241.08833	1.6
249.12344	100.0
267.10532	2.4
267.13406	56.3
285.07626	33.6
285.11407	10.7
285.14413	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21415	2.5
55.05508	5.7
57.03433	10.0
57.07079	2.5
63.02121	2.4
67.05503	17.6
69.07075	18.4
69.87189	2.2
71.04964	2.3
73.43152	2.1
77.75828	2.3
79.05476	8.3
81.07044	25.0
83.08617	20.4
85.06528	2.5
91.02658	2.2
93.07027	20.2
95.04929	3.3
95.08606	29.3
97.06477	2.9
97.10168	4.8
99.04449	41.6
105.06999	2.6
107.08593	14.9
109.10158	17.1
111.08073	15.0
119.08541	3.8
121.10143	12.8
123.11701	9.5
130.55867	2.8
133.10172	8.5
135.11649	4.1
147.11694	3.4
149.13245	13.2
159.11780	3.6
167.14357	2.8
207.17496	3.3
210.06725	3.3
211.11116	5.2
211.16934	3.0
224.08276	5.9
225.09344	2.7
225.18483	100.0
231.15834	5.6
239.10732	14.2
241.99283	2.9
243.19530	30.0
249.18423	40.0
256.87167	2.6
267.10046	23.3
267.19473	30.8
270.08844	3.1
285.07632	16.6
285.11188	81.9
285.14526	8.6
285.17941	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.23096	0.4
51.78214	0.5
55.05526	0.6
66.22630	0.3
67.05503	1.0
69.07050	0.5
79.05492	1.1
80.30099	0.4
81.07050	1.9
83.04950	0.4
83.08641	0.6
85.71177	0.4
91.05462	0.7
92.21547	0.5
93.07049	2.9
95.08648	3.5
99.08073	0.9
105.07016	2.2
107.08608	3.5
107.94099	0.5
109.10172	3.6
119.08548	3.4
121.10161	3.6
123.11723	0.9
127.43423	0.5
131.08549	1.0
133.06488	0.7
133.10098	3.2
135.11688	2.1
143.08530	1.8
145.10124	2.4
147.11716	3.1
149.13229	0.5
151.11214	0.7
153.01857	0.8
157.10097	2.8
159.11679	2.1
161.06003	1.7
161.13264	0.8
165.07068	1.0
169.10085	0.7
171.11714	2.1
173.13243	1.0
183.11676	1.1
185.13255	1.1
187.14819	1.0
193.06500	0.9
197.13272	2.5
199.14844	2.2
201.16415	0.6
210.06717	0.5
211.14780	0.9
213.16536	0.7
221.05997	2.9
225.09230	4.4
227.17838	0.7
241.19571	0.9
242.05745	4.0
243.21121	0.5
253.08591	8.9
254.09444	0.5
267.21118	5.6
270.05258	10.8
270.08182	0.7
285.07587	100.0
285.11041	8.3
285.22089	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.34162	0.7
55.05521	1.1
57.07070	1.0
63.00041	1.8
63.88648	0.8
67.05511	3.5
69.07068	2.0
71.04996	1.2
77.05505	0.8
78.55086	1.0
79.05502	3.4
81.07066	5.1
83.08612	1.6
85.10120	0.9
87.33360	0.7
90.36979	0.8
91.05470	1.8
93.07047	5.6
95.08612	9.9
97.06543	1.6
99.08136	1.1
100.40254	0.8
105.07041	8.8
107.08603	11.0
109.06540	1.0
109.10163	10.1
117.06972	1.2
119.08601	11.0
121.10155	8.5
123.11726	3.9
124.99985	1.1
131.08571	5.2
133.10146	10.4
135.11699	5.0
143.08559	4.0
145.10129	8.9
147.11679	13.3
149.13258	3.8
151.11209	2.1
155.08577	1.7
157.10130	7.5
159.11708	9.9
161.06007	3.8
161.13275	4.5
165.07039	1.0
169.10106	3.4
171.11700	5.6
173.13269	4.3
177.12747	1.1
183.11688	4.7
185.13277	6.0
187.14882	4.0
193.06436	1.4
197.13268	5.9
199.14943	6.2
201.16412	3.6
211.07527	1.3
211.14781	6.6
213.16437	1.7
215.14478	1.3
221.06020	3.9
225.09070	7.6
225.16360	2.1
227.17882	2.1
229.05956	1.0
229.15860	1.7
239.17807	0.9
241.19527	5.2
242.05759	4.0
243.21190	4.0
252.18784	1.1
253.08592	13.2
255.21138	1.7
257.22681	3.8
267.21088	19.2
270.05273	12.1
270.08231	1.4
285.07611	100.0
285.11182	11.5
285.22131	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05520	1.9
57.07072	2.7
62.52074	1.2
67.05506	3.4
69.07064	6.9
79.05510	2.6
81.07063	16.8
82.46840	1.4
83.04994	2.2
91.05477	3.1
93.07042	15.2
95.04958	2.8
95.08610	19.7
105.07028	13.7
107.08594	21.5
109.10189	12.8
111.08079	3.9
117.06995	2.1
119.08606	12.9
121.10124	8.9
123.11716	3.9
125.09624	3.3
129.06995	1.9
131.08566	10.3
133.10139	16.0
135.08104	1.7
135.11705	2.4
141.06956	1.7
143.08566	3.8
145.10118	13.1
145.88934	1.8
147.11720	8.1
147.38553	1.8
149.13229	2.5
155.08551	3.3
157.10136	6.4
159.11685	10.6
161.13266	8.1
163.14828	1.7
169.10115	7.4
171.11725	10.7
173.13245	8.8
175.14807	6.7
183.11638	6.6
185.13264	7.8
187.14822	2.9
189.16446	3.8
197.13261	3.5
199.14743	4.0
201.16342	8.8
211.14806	14.8
225.09134	6.6
225.16393	7.9
227.17825	3.9
229.15883	3.0
242.05666	2.5
250.18576	1.8
253.08542	8.2
255.21146	2.6
257.22665	9.2
267.21100	23.1
270.05267	6.3
285.07587	100.0
285.10867	7.7
285.18878	2.6
285.22104	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05515	3.1
56.41293	2.1
67.05502	4.6
67.48395	2.1
79.05495	5.2
81.07062	18.7
83.08618	2.2
91.05484	12.8
93.07043	23.1
95.08630	19.5
105.07034	16.1
105.69846	2.6
107.08611	34.5
109.06525	2.3
109.10180	19.8
117.06967	3.0
119.08574	18.4
121.10164	25.3
123.11703	5.4
125.09608	4.7
131.08583	12.1
133.10136	26.7
135.11700	15.6
143.08583	3.4
145.10121	12.0
147.11664	20.3
149.09581	4.9
157.10110	11.8
159.11700	18.4
161.13254	10.7
169.10115	5.3
171.11697	4.1
173.13272	13.0
175.14861	5.1
183.11650	5.7
185.13226	11.7
187.14771	5.9
197.13255	13.7
199.14839	9.5
201.16391	5.8
211.14839	13.3
213.16188	2.3
218.59137	2.4
225.16113	6.6
227.18069	3.3
242.05789	3.9
253.45293	2.5
255.21004	3.3
257.22678	10.2
267.21017	27.7
270.05261	4.1
285.07556	84.2
285.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05514	1.1
62.44770	1.1
73.44139	1.2
75.06573	1.3
76.53293	1.1
76.75419	1.1
78.72868	1.2
79.05494	1.5
81.07050	7.0
83.85243	1.1
91.05436	1.8
93.07034	6.8
95.08610	7.7
105.07021	6.6
107.08607	9.2
109.06519	1.6
109.10133	4.5
119.08569	6.1
121.10136	5.1
123.11694	4.2
131.08575	4.7
133.10141	8.3
135.11671	1.7
143.08583	2.0
145.10121	4.5
147.11661	6.1
149.09608	1.4
149.13277	1.3
155.08525	1.5
157.10126	2.3
159.11691	5.8
161.13213	1.7
169.10138	5.1
171.11635	5.8
173.13223	5.3
183.11742	4.4
185.13310	2.4
187.14844	4.5
197.13158	4.8
199.14737	2.7
201.16333	2.5
211.14816	4.5
225.09135	1.6
225.16492	2.4
239.17924	2.1
241.19498	3.7
242.05699	4.7
253.08524	5.5
261.97647	1.5
267.21024	10.2
270.05255	10.6
285.07562	100.0
285.18903	1.3
285.22147	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19656	0.8
55.98832	1.0
57.07084	1.0
71.08649	1.0
72.08913	0.9
89.37896	1.0
89.48470	0.9
90.78295	0.9
92.20977	1.3
98.10374	0.9
106.51165	0.9
106.75961	1.0
114.89830	1.0
130.40028	1.0
147.36227	1.2
178.54819	1.1
204.19194	1.2
226.34088	0.9
285.14954	1.2
285.29803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60408	1.5
57.19272	1.6
63.63961	1.6
69.03411	2.5
70.06590	2.4
73.02918	2.5
76.93908	2.2
92.49152	2.0
94.18742	1.8
97.02862	4.5
99.67923	2.1
124.03918	11.5
131.61456	1.8
133.29425	1.9
137.05939	16.6
147.54288	2.0
149.05908	11.4
151.07494	10.7
152.06985	2.5
161.05974	9.8
163.07484	2.0
164.07033	2.9
165.05377	2.2
175.07561	1.8
178.08612	17.0
179.06979	10.4
188.26352	1.8
196.09677	7.9
232.01570	1.9
233.08069	2.5
268.11710	4.2
271.05499	3.5
286.03262	5.5
286.07779	41.7
286.12766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92140	2.2
59.87248	2.2
72.03796	2.2
72.08157	2.4
73.02908	2.3
75.13383	2.3
87.04475	4.2
97.02884	2.8
124.03968	4.5
137.05986	16.3
145.03340	2.8
149.05974	12.2
151.07555	11.3
152.07106	2.8
157.03499	2.5
158.14381	2.8
161.02998	6.4
161.05945	3.2
167.01865	2.6
173.02855	3.1
178.08624	15.6
178.53117	2.6
179.07033	16.9
185.02844	4.0
196.09680	3.0
203.04100	3.5
210.91646	3.2
219.66635	3.1
245.05029	10.1
247.33771	2.5
250.45503	2.9
268.11911	4.6
286.03400	5.8
286.07272	29.4
286.12811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56242	2.3
67.28971	2.2
70.06595	22.6
83.53370	2.3
85.02921	3.0
86.09679	9.2
87.04461	3.0
91.22691	2.3
98.06108	2.5
101.06017	2.9
106.06581	2.5
108.68980	2.4
112.07592	23.8
113.75338	2.9
121.06490	42.8
124.03946	31.2
124.07603	5.0
126.05547	2.8
129.20612	2.6
140.07062	13.8
142.08595	4.5
152.05655	22.5
152.07025	10.4
153.06021	12.3
154.06137	3.6
158.65234	2.5
160.09731	2.7
169.03075	3.5
170.08090	2.8
171.96300	2.9
183.02846	3.2
197.02736	2.5
261.14493	2.5
268.11630	3.3
273.12363	2.7
286.06757	100.0
286.12531	36.0
289.13290	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80434	2.9
51.82695	2.7
54.09414	3.6
54.52132	2.7
57.21605	2.7
60.46271	3.4
70.06598	4.3
76.72051	3.2
98.06083	4.6
103.63592	3.6
116.07096	4.4
121.06518	18.4
127.00553	4.0
137.05981	7.0
149.05943	8.9
154.07196	4.1
161.02940	4.4
161.05945	5.7
163.37686	4.5
178.08591	17.0
179.07042	6.5
196.09698	19.6
208.04402	3.6
229.51869	4.3
245.05069	7.8
268.11746	3.8
286.06680	88.2
286.09290	14.9
286.12759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.3
65.15289	2.4
66.84184	2.7
68.70252	2.3
70.06577	20.2
74.06079	4.5
79.97679	3.0
85.02901	4.9
86.06067	7.1
86.09750	3.4
87.04470	21.4
92.21536	3.1
93.07018	4.7
104.07140	6.1
112.05065	4.5
112.07606	17.8
114.23589	3.0
121.06512	100.0
122.06098	3.4
124.03957	33.6
124.07575	13.7
126.05537	3.1
127.03904	13.7
134.06062	2.9
136.06148	3.8
140.07091	6.3
142.08675	25.6
152.05682	11.2
152.06964	4.6
160.09642	31.2
165.01822	3.3
169.03151	4.3
170.08018	3.7
183.02878	11.9
240.12376	3.6
268.08237	3.9
268.11627	6.2
286.06754	83.9
286.12711	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.071
Annotation	Marcanine D
Peak:m/z	Relative Intensity
60.58324	0.1
92.20878	0.1
99.04448	0.2
100.04794	0.2
136.48718	0.1
154.06477	0.2
162.06355	0.1
182.06033	0.2
188.10732	0.2
210.05515	0.2
212.07080	0.2
212.10834	0.1
216.06522	0.1
222.06288	0.5
224.07062	1.9
226.09464	0.7
238.05025	0.2
240.06480	1.4
240.10196	0.2
254.08904	1.5
268.06012	2.1
286.07092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
50.56313	0.3
60.50159	0.3
69.03423	0.7
70.06588	0.8
72.08124	0.4
73.26723	0.4
81.03413	0.4
85.02905	2.0
88.84502	0.3
91.05479	0.4
92.21478	0.4
96.04483	0.6
97.02900	0.5
106.02921	7.9
106.06567	0.8
109.02891	0.4
112.05076	6.7
112.07579	0.7
116.07105	0.5
121.06500	12.9
124.03951	100.0
124.07545	2.6
127.03878	0.6
128.07063	4.4
133.90492	0.3
137.05974	0.8
154.06131	1.6
190.05046	0.3
200.19942	0.3
226.07205	0.3
240.12199	0.6
241.83499	0.3
250.07111	1.7
268.08182	0.5
268.11780	0.5
269.36230	0.3
286.09207	32.3
286.12512	4.2
286.15948	0.7
293.88651	0.5
303.19073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1072
Annotation	Arborinine
Peak:m/z	Relative Intensity
53.01331	0.3
55.27715	0.3
58.20003	0.3
58.21275	0.2
62.33606	0.3
70.06605	0.3
76.09271	0.3
79.71327	0.3
79.78497	0.3
87.04457	0.4
107.04961	5.2
121.06525	0.3
121.95657	0.3
123.04387	0.5
145.06531	0.4
161.06012	1.3
179.00597	0.4
196.42683	0.4
199.39600	0.3
209.19550	0.3
237.09123	0.7
240.10214	0.6
242.07965	0.7
243.08934	1.8
255.10129	1.3
268.15213	0.7
271.05328	0.6
271.06134	0.7
271.08374	38.2
286.10742	100.0
286.14255	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01331	0.3
55.27715	0.3
58.20003	0.3
58.21275	0.2
62.33606	0.3
70.06605	0.3
76.09271	0.3
79.71327	0.3
79.78497	0.3
87.04457	0.4
107.04961	5.2
121.06525	0.3
121.95657	0.3
123.04387	0.5
145.06531	0.4
161.06012	1.3
179.00597	0.4
196.42683	0.4
199.39600	0.3
209.19550	0.3
237.09123	0.7
240.10214	0.6
242.07965	0.7
243.08934	1.8
255.10129	1.3
268.15213	0.7
271.05328	0.6
271.06134	0.7
271.08374	38.2
286.10742	100.0
286.14255	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1071
Annotation	Toddaliopsin A
Peak:m/z	Relative Intensity
54.13230	0.7
74.40412	0.7
75.23706	0.7
81.50255	0.7
195.92523	0.7
206.45329	0.8
226.09109	0.9
242.08118	34.3
243.06474	4.5
243.08904	0.9
254.08261	3.8
256.06021	3.5
268.09674	6.4
270.07584	27.4
271.05859	3.6
271.08380	38.9
286.07953	11.3
286.10770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66819	0.2
53.37177	0.2
86.09687	0.5
93.07057	0.4
121.06514	0.3
140.74213	0.3
188.02603	0.3
225.07813	1.6
238.25159	0.3
241.07256	0.5
242.08154	4.7
254.08319	0.5
270.07587	24.5
271.05630	0.6
271.08405	13.5
286.10727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66819	0.2
53.37177	0.2
86.09687	0.5
93.07057	0.4
121.06514	0.3
140.74213	0.3
188.02603	0.3
225.07813	1.6
238.25159	0.3
241.07256	0.5
242.08154	4.7
254.08319	0.5
270.07587	24.5
271.05630	0.6
271.08405	13.5
286.10727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91328	0.3
53.03947	0.4
57.95282	0.4
71.17364	0.3
82.24637	0.4
91.05486	2.7
92.59398	0.4
93.07051	6.0
103.05497	3.4
106.02952	0.7
112.05093	0.7
121.06510	100.0
122.51297	0.3
124.03967	10.8
154.12262	1.8
166.06145	1.0
171.14864	0.4
172.45288	0.4
206.11792	3.1
210.43236	0.4
253.22565	0.4
268.08417	0.4
275.38654	0.4
286.09122	3.5
286.11884	17.9
286.17166	3.0
303.68002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13305	0.3
53.03945	0.7
53.96658	0.3
55.01873	0.7
56.05044	0.6
60.04513	0.7
62.92077	0.2
69.03450	0.6
69.10571	0.3
70.06593	10.4
71.04987	1.3
72.04529	1.5
72.08150	0.7
74.06054	0.4
80.05026	0.3
81.03423	3.1
82.06593	0.6
84.04504	0.4
84.08128	0.4
84.66316	0.3
85.02914	1.3
86.09713	0.5
87.04475	0.4
91.05466	2.5
92.61993	0.3
93.07051	4.7
94.06547	0.4
94.80611	0.3
95.03635	0.4
95.04961	1.9
96.08122	1.1
97.02885	3.9
98.06056	2.1
99.04457	6.0
100.03995	1.1
100.07615	2.1
102.05536	2.1
103.05466	2.9
106.06557	0.7
107.04946	0.3
108.04464	1.4
109.02901	1.4
110.06102	1.1
111.04420	0.4
112.07603	13.0
116.07112	1.6
120.06575	3.3
121.06502	100.0
122.06039	5.7
122.06834	0.7
124.03945	14.2
124.04821	0.6
124.07581	8.9
125.04730	3.0
126.05487	2.3
127.03908	0.5
127.06334	0.3
128.07079	3.5
128.42845	0.4
137.05983	1.8
140.07072	5.7
142.08635	2.9
148.06076	0.5
148.07445	0.3
152.05693	2.8
152.07071	14.0
153.04088	0.5
153.05934	0.4
154.06140	0.6
156.03615	0.8
158.08168	1.2
160.09691	1.7
164.06989	0.5
166.07114	7.8
168.10204	0.4
169.13289	0.7
170.08105	10.9
182.08084	0.4
188.09206	1.5
197.12701	0.5
204.10326	0.3
222.11441	0.4
240.12204	4.5
243.05736	0.4
268.11694	2.1
286.06961	1.8
286.09622	2.0
286.12833	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52510	0.5
85.44217	0.5
91.05467	0.6
96.92250	0.7
107.04951	100.0
115.05441	2.9
121.06507	2.5
131.04947	1.1
134.80165	0.6
137.05986	8.2
143.04918	10.2
145.06479	7.6
151.07530	3.5
160.05179	1.3
163.07558	2.2
164.07018	1.3
175.07520	20.2
178.08556	0.8
181.10110	0.7
185.10478	0.5
191.08574	0.8
209.09566	10.8
219.08005	1.4
221.51129	0.7
237.09090	14.8
254.09360	3.7
269.11700	33.0
271.08316	0.9
276.32864	0.6
286.10532	3.9
286.14334	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1437
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
51.61388	0.3
54.44969	0.4
62.63015	0.3
70.84009	0.3
104.61023	0.5
107.04960	100.0
115.05437	2.6
117.07019	0.6
119.04980	0.5
121.06509	3.8
123.04427	1.6
131.04924	1.7
137.05992	7.8
143.04915	10.1
145.06468	8.4
147.21033	0.4
151.07484	3.0
160.05153	0.9
161.05952	2.5
163.07509	2.3
175.07552	17.7
178.08603	3.1
181.06613	0.5
181.10114	0.8
191.08592	1.7
194.07327	0.8
194.94804	0.5
209.09616	10.9
219.08134	2.0
237.09116	14.7
242.08075	1.7
254.09488	3.0
255.10144	4.3
259.59171	0.5
268.09531	0.7
269.11710	28.6
270.07428	0.7
271.08469	3.2
286.10843	8.4
286.14334	68.7
305.09473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
54.96028	0.2
63.47765	0.2
72.73896	0.3
77.03994	0.3
78.89548	0.3
88.13377	0.3
91.05468	0.4
95.04967	1.2
107.04961	100.0
107.49313	0.3
115.05433	2.4
116.07073	0.3
117.07021	0.5
119.04936	0.6
121.06502	1.7
131.04900	2.0
137.05966	9.1
143.04919	11.1
145.06491	9.2
151.07532	2.9
160.05170	2.3
163.07515	2.3
175.07536	19.5
178.08606	1.5
181.06456	0.6
181.10066	0.7
191.08521	1.7
194.07277	0.6
209.09633	10.5
219.08038	2.0
222.06415	0.5
237.09096	16.9
238.09761	0.7
240.07869	0.5
241.08478	0.3
254.09294	3.2
268.09656	4.2
269.11710	32.8
271.08444	1.3
286.10861	7.3
286.14337	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1438
Annotation	N-Methylhigenamine
Peak:m/z	Relative Intensity
52.33454	0.9
62.33849	0.9
70.06541	1.2
74.89476	0.9
91.75969	0.9
98.25201	1.0
107.04955	78.4
121.06455	5.6
123.04432	9.4
128.21898	1.3
133.06471	1.5
142.12267	1.6
143.04942	4.5
145.06480	8.9
149.05916	2.1
161.04733	1.1
161.05971	26.5
178.08632	1.1
196.19547	1.1
197.09470	2.1
209.09525	1.8
212.09158	1.4
222.14854	10.3
237.09001	2.7
240.15892	18.5
243.10005	2.7
253.36014	1.4
255.10121	24.2
268.15100	5.2
271.08472	4.1
286.07568	3.2
286.10583	17.7
286.14163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
51.52510	0.5
85.44217	0.5
91.05467	0.6
96.92250	0.7
107.04951	100.0
115.05441	2.9
121.06507	2.5
131.04947	1.1
134.80165	0.6
137.05986	8.2
143.04918	10.2
145.06479	7.6
151.07530	3.5
160.05179	1.3
163.07558	2.2
164.07018	1.3
175.07520	20.2
178.08556	0.8
181.10110	0.7
185.10478	0.5
191.08574	0.8
209.09566	10.8
219.08005	1.4
221.51129	0.7
237.09090	14.8
254.09360	3.7
269.11700	33.0
271.08316	0.9
276.32864	0.6
286.10532	3.9
286.14334	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	N-Methylhigenamine
Peak:m/z	Relative Intensity
51.08145	0.3
77.10037	0.4
82.74064	0.4
83.86328	0.4
107.04958	72.1
110.64837	0.4
115.05446	1.6
119.04921	1.7
121.06493	4.9
123.04419	9.2
126.09034	0.4
133.06456	2.7
134.07440	0.4
135.04352	0.5
137.06006	1.2
143.04926	6.4
145.06477	6.9
149.05981	2.6
161.04678	0.8
161.05975	19.5
163.07489	0.5
166.08533	0.7
176.37048	0.4
178.08601	2.0
181.06331	0.5
183.12811	0.4
194.07179	0.4
197.09525	1.8
209.09593	2.3
225.09113	0.6
226.06313	0.5
237.09091	4.0
240.07794	0.7
240.10002	0.5
243.10168	3.5
255.10130	18.1
257.11749	0.8
271.08398	3.9
286.10867	9.1
286.14334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1435
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
50.12870	0.6
52.81104	0.6
59.79349	0.6
69.76968	0.6
76.80217	0.7
80.73221	0.7
86.09711	1.1
93.70988	0.8
99.69294	0.7
107.04961	100.0
115.05476	3.1
121.06526	1.4
131.04980	0.9
136.38745	0.7
137.05972	8.7
139.18799	0.9
143.04922	11.5
145.06480	9.3
151.07571	3.2
160.05234	1.7
163.07590	1.8
175.07542	18.6
181.10023	0.8
191.08606	1.2
194.07196	0.9
209.09641	12.0
209.11517	1.1
219.08115	1.6
237.09090	14.2
242.08121	20.5
254.09521	1.2
256.06049	1.3
269.08774	1.1
269.11703	34.6
270.07608	18.9
271.08374	25.1
286.10739	64.1
286.14362	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	Isococlaurine
Peak:m/z	Relative Intensity
52.60732	0.5
56.01188	0.6
60.39293	0.5
91.05492	0.7
91.70987	0.7
107.04960	100.0
107.85859	0.6
115.05447	1.5
121.06419	0.7
127.10013	0.6
131.04883	1.2
137.05983	9.9
143.04924	9.3
145.06488	6.9
151.07530	2.9
163.07504	2.8
175.07539	21.7
178.08644	0.7
191.08688	0.7
194.07179	1.1
209.09615	10.4
219.08018	2.9
237.09081	13.9
238.09807	0.8
254.09326	2.7
268.09827	5.6
269.11710	32.6
286.10858	5.6
286.14334	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58533	0.5
52.16895	0.5
54.05200	0.5
67.96055	0.6
91.05462	0.6
95.04980	0.6
98.42702	0.6
107.04959	100.0
114.16486	0.6
115.05477	2.3
119.04914	0.8
121.06522	2.3
121.97546	0.6
129.62915	0.6
131.04916	1.2
137.06010	8.6
138.02678	0.7
138.87883	0.6
143.04930	9.7
145.06485	8.2
151.07530	3.0
160.05191	1.5
163.07549	2.9
175.07536	19.8
178.08650	1.1
181.06448	0.9
181.10066	1.0
191.08501	1.2
194.07265	1.0
209.09619	11.4
212.59615	0.6
219.08084	2.2
225.07831	0.9
237.09088	17.3
242.08086	24.6
254.09326	3.2
256.06049	0.9
269.11713	39.1
270.07599	19.7
271.08398	32.9
271.11395	1.1
286.10736	72.9
286.14355	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60732	0.5
56.01188	0.6
60.39293	0.5
91.05492	0.7
91.70987	0.7
107.04960	100.0
107.85859	0.6
115.05447	1.5
121.06419	0.7
127.10013	0.6
131.04883	1.2
137.05983	9.9
143.04924	9.3
145.06488	6.9
151.07530	2.9
163.07504	2.8
175.07539	21.7
178.08644	0.7
191.08688	0.7
194.07179	1.1
209.09615	10.4
219.08018	2.9
237.09081	13.9
238.09807	0.8
254.09326	2.7
268.09827	5.6
269.11710	32.6
286.10858	5.6
286.14334	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78607	0.5
62.33075	0.6
70.06580	0.9
73.02925	0.8
86.06074	0.8
93.07005	0.7
94.06572	1.5
99.04498	5.0
99.05030	0.7
106.86880	0.7
107.04986	0.8
108.08115	1.0
109.08915	1.4
113.15129	0.7
116.07127	1.0
121.06499	7.5
132.12003	0.6
142.12286	9.8
150.12747	0.9
153.07843	3.7
166.08562	4.7
180.10233	0.7
184.09735	1.1
188.12782	1.0
194.11836	0.8
198.11269	1.2
212.09193	15.3
222.14883	77.6
240.15916	100.0
242.08109	1.4
268.15421	23.0
270.07596	9.4
271.08359	5.1
286.07471	15.2
286.10770	42.8
286.16504	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03615	0.9
69.07082	1.3
70.06582	8.6
75.57249	0.8
76.56839	0.9
86.06086	1.3
86.09693	1.3
87.04473	2.1
93.07071	0.8
94.06594	1.7
98.09712	1.8
99.04480	4.9
106.06580	1.3
107.04959	9.2
108.08163	1.2
110.00572	1.2
116.07129	1.8
121.06533	7.0
124.07700	1.2
138.05545	1.7
141.57260	0.9
142.12273	9.5
145.06609	1.3
147.03307	1.1
153.07880	2.0
153.52982	1.0
154.08629	8.4
157.25548	0.9
164.04277	1.3
166.08646	2.1
170.08121	1.2
170.11807	1.4
182.11790	1.9
188.12914	1.6
212.09164	1.3
222.14899	63.7
240.15938	100.0
250.14432	3.6
255.10168	3.9
268.15439	25.3
271.08356	1.9
286.07236	35.4
286.10883	25.3
286.16620	93.5
309.84091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78607	0.5
62.33075	0.6
70.06580	0.9
73.02925	0.8
86.06074	0.8
93.07005	0.7
94.06572	1.5
99.04498	5.0
99.05030	0.7
106.86880	0.7
107.04986	0.8
108.08115	1.0
109.08915	1.4
113.15129	0.7
116.07127	1.0
121.06499	7.5
132.12003	0.6
142.12286	9.8
150.12747	0.9
153.07843	3.7
166.08562	4.7
180.10233	0.7
184.09735	1.1
188.12782	1.0
194.11836	0.8
198.11269	1.2
212.09193	15.3
222.14883	77.6
240.15916	100.0
242.08109	1.4
268.15421	23.0
270.07596	9.4
271.08359	5.1
286.07471	15.2
286.10770	42.8
286.16504	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21069	1.0
52.12756	0.9
52.21292	1.0
56.05040	5.1
60.66481	1.0
65.98765	1.5
67.05514	9.0
69.07076	1.1
70.02962	8.2
70.06576	6.6
70.36474	1.2
72.08152	1.2
77.27306	1.4
84.08134	1.6
86.02483	1.1
87.05577	12.8
88.03986	1.3
90.30914	1.0
91.05503	1.7
93.07057	3.9
95.08614	2.3
96.04523	1.3
108.04478	6.7
109.10168	17.0
110.06030	2.2
119.08565	5.2
121.06556	1.8
133.06087	17.8
134.09654	1.8
135.08043	5.0
136.11209	1.6
137.09619	15.2
138.12775	2.3
138.50742	1.3
152.14316	1.3
154.04959	4.1
154.12268	54.6
154.92957	1.2
155.10712	1.3
164.10738	7.8
166.12247	8.9
171.14931	23.0
172.13298	9.5
178.12289	13.4
180.13824	16.2
182.11856	2.6
183.14900	5.3
188.10689	6.8
197.16524	17.4
206.11760	100.0
208.13379	1.4
210.11220	4.6
223.14381	16.7
224.12804	17.1
241.15575	8.5
242.18596	7.4
252.12354	2.3
269.14920	7.8
286.07007	4.5
286.17596	84.6
298.43866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	100.0
75.03252	0.4
86.09707	10.0
94.50842	0.4
96.22971	0.4
107.04980	2.2
107.38670	0.4
113.42230	0.4
116.07090	0.6
131.36581	0.4
146.05998	0.7
169.03262	0.5
183.14917	20.3
189.12358	4.9
206.11752	0.8
211.14398	11.2
222.09174	2.7
240.10254	0.9
250.08598	3.0
251.09428	2.1
268.09677	43.8
286.07681	1.8
286.10831	6.6
286.14398	1.9
286.17532	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2376
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
51.58193	1.2
55.05502	1.9
56.05045	1.2
57.07086	14.2
63.04469	1.4
67.05508	9.3
69.07062	8.7
71.05006	2.2
71.08617	2.8
73.61263	1.3
74.51145	1.4
81.07046	10.8
83.08625	6.4
83.11499	1.3
85.06544	15.7
93.07030	3.3
95.08604	15.6
97.06536	2.2
98.09678	1.7
107.08582	3.6
109.10164	8.5
111.08084	2.2
112.89819	1.7
123.11731	2.6
126.96593	1.4
128.50999	1.6
133.10085	2.0
134.62947	1.6
135.11670	3.9
149.13258	2.4
152.14326	1.7
226.09482	1.9
229.45320	1.5
250.21620	24.3
251.20123	1.8
254.08862	2.8
268.22745	40.0
271.05530	2.4
286.07803	34.0
286.10904	4.2
286.23770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2375
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.05516	5.2
55.15581	0.9
57.03438	1.2
57.07084	8.5
57.54625	0.7
61.72395	0.8
67.05514	13.4
69.07077	14.4
71.04988	1.0
71.08627	4.6
72.08152	1.2
79.05496	1.7
81.07065	18.2
81.95510	0.7
83.08633	16.0
85.10188	3.9
93.07044	4.1
95.08611	16.4
96.08100	1.4
97.06501	4.1
97.10172	9.8
100.07646	2.1
107.08596	7.0
109.10155	11.8
110.09676	1.2
111.08087	1.2
111.11679	3.2
114.09157	1.3
121.10168	8.3
123.11690	8.1
124.11199	1.5
125.09636	1.2
133.10109	1.2
135.11673	10.1
138.12808	6.7
149.13225	6.3
152.14343	5.9
163.14830	1.5
166.15891	7.0
166.46059	1.0
167.52678	1.0
180.17502	3.4
205.19551	6.6
222.22150	10.0
223.20583	2.1
232.20532	1.5
240.23192	1.9
268.22705	100.0
286.23828	1.3
287.22061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65514	0.9
55.05506	1.2
57.07082	18.5
58.06606	15.3
59.03744	1.0
62.06094	100.0
67.05505	2.3
69.07067	2.6
71.08633	14.8
72.41974	0.9
74.29432	0.8
76.07645	42.6
81.07083	4.1
83.08640	1.6
85.10197	8.3
95.08614	8.2
109.10165	2.6
116.69485	1.1
123.11719	2.0
149.01282	1.3
252.00186	1.2
252.03058	1.2
255.23230	2.4
268.26376	6.6
269.24777	11.9
286.27402	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63807	0.5
57.07077	8.1
58.06596	2.3
62.05832	0.6
62.06094	8.3
66.16095	0.7
70.54302	0.5
71.08624	3.5
85.10177	2.4
86.58527	0.5
91.49081	0.5
114.39678	0.7
169.13583	0.7
200.45001	0.6
212.23727	14.0
228.23326	1.0
230.24776	82.4
286.07541	1.1
286.31027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49783	0.6
56.83512	0.5
56.91307	0.5
57.07080	8.4
58.06608	1.1
59.00033	0.5
61.23486	0.6
62.06097	8.1
62.79729	0.6
71.08624	3.9
72.43391	0.6
85.10190	1.4
87.49621	0.6
92.20947	1.5
93.59116	0.6
97.70274	0.6
104.02382	0.7
111.87183	0.7
132.69463	0.7
136.70943	0.7
137.94591	0.6
173.57370	0.6
180.66975	0.7
212.23717	14.7
230.24783	89.6
286.07495	1.3
286.31049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53873	0.5
57.07076	7.8
58.06616	1.1
59.25468	0.4
62.05833	0.7
62.06099	10.2
71.08627	2.4
83.01514	0.5
85.10178	1.1
88.25539	0.6
95.67049	0.6
98.77036	0.5
101.08836	0.6
200.98282	0.7
212.23732	16.3
228.23209	0.6
230.24770	87.4
286.07730	3.2
286.31033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35879	0.4
53.54787	0.4
53.95237	0.4
56.01739	0.4
57.07076	6.9
58.06601	1.0
62.06105	7.9
62.06400	0.9
64.57328	0.5
71.08624	3.9
75.43365	0.4
79.43475	0.5
85.10181	1.1
168.87662	0.5
174.18552	1.0
176.15138	0.6
212.23715	13.8
228.23267	0.6
230.24786	74.8
239.42096	0.5
286.07733	1.1
286.31042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87181	0.7
57.07081	7.8
58.06589	1.0
62.06097	9.9
65.09051	0.6
67.18312	0.6
70.94298	0.6
71.08630	4.1
78.15317	0.6
85.10200	1.0
95.15600	0.7
104.43959	0.7
147.88779	0.8
176.38737	0.6
212.23737	14.4
228.23238	0.9
230.24782	81.0
270.14447	0.7
286.07831	2.7
286.31042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.75333	0.1
68.99805	0.3
69.27622	0.1
71.24203	0.1
97.74329	0.2
105.03398	0.2
107.04978	0.2
109.02895	0.2
111.00813	0.6
116.01622	0.2
121.02866	2.3
133.02818	0.2
137.02351	0.8
147.04430	0.3
151.07584	0.2
153.01816	3.4
165.01833	1.8
183.02916	1.1
185.05963	0.3
195.07953	0.2
213.05469	1.0
227.10683	0.7
231.06458	0.7
241.04929	0.9
258.05319	1.1
259.06119	0.3
287.05484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37145	0.2
68.99785	0.3
71.45346	0.3
72.95110	0.2
88.68587	0.2
92.40311	0.2
111.00842	0.6
121.02858	2.7
133.02864	0.3
153.01816	3.2
161.32397	0.3
165.01808	2.2
183.02863	0.5
185.05972	0.3
192.45309	0.3
213.05328	0.9
231.06604	0.4
241.05031	0.6
258.05197	1.0
259.06119	0.3
285.60284	0.3
287.05490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94488	0.1
52.21733	0.1
58.84768	0.1
66.35885	0.1
66.54486	0.1
68.67662	0.1
68.99789	0.2
72.80959	0.1
77.24880	0.1
84.80304	0.1
94.68339	0.1
107.04949	0.2
111.00803	0.9
121.02863	2.6
127.03810	0.1
133.02856	0.5
135.04361	0.1
137.02379	0.6
145.06522	0.1
147.04419	0.5
153.01820	2.8
157.06442	0.2
165.01825	1.9
183.02927	0.8
185.05992	0.5
189.05518	0.2
203.06956	0.2
213.05453	1.2
216.79088	0.1
231.06543	1.2
241.05003	0.9
258.05148	1.2
259.06076	0.3
262.50778	0.1
269.04333	0.1
276.54559	0.1
287.05499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.39087	0.5
70.06593	0.7
79.40214	0.6
83.04961	0.5
86.09679	0.6
90.14774	0.6
96.38660	0.5
98.06057	2.1
116.07067	0.6
123.04306	0.6
137.02335	1.2
137.06030	0.9
144.10240	1.0
160.78294	0.6
185.30121	0.5
227.07111	1.1
241.04985	0.7
245.97719	0.6
272.08646	3.1
287.05496	100.0
287.10797	25.5
287.19696	2.4
293.49319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99416	0.2
61.25867	0.2
68.99772	0.2
97.88532	0.2
111.00822	0.5
118.73023	0.2
121.02850	2.4
122.86645	0.2
133.02869	0.5
137.02324	0.4
147.04388	0.3
153.01816	3.5
165.01857	2.1
166.72218	0.2
183.02887	1.3
213.05504	1.5
231.06505	1.2
241.04890	1.3
258.05264	1.2
259.06100	0.4
269.08551	0.2
276.08713	0.3
287.05478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29132	2.1
59.05623	2.3
62.64665	1.9
65.52755	1.9
68.52398	2.4
73.66437	2.2
104.10736	12.7
111.04061	3.1
118.03529	9.9
129.05083	20.6
130.03539	3.3
142.80011	2.5
145.04584	4.0
147.06166	15.4
151.95879	2.3
153.05093	3.3
159.06215	4.0
171.06084	23.9
173.04068	90.7
182.07726	9.9
183.06099	16.6
184.06349	13.2
189.07162	9.4
191.05118	47.3
198.07237	36.0
200.08823	3.4
201.07219	11.9
216.08394	3.0
221.46706	2.7
225.03548	4.7
226.06766	9.8
227.05124	3.2
228.04607	5.3
242.06248	10.5
252.04659	20.8
269.07379	3.0
270.05731	5.2
273.78900	3.1
287.08374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Aristogin A
Peak:m/z	Relative Intensity
55.01874	6.3
56.59089	0.9
59.96171	0.8
68.99767	1.9
69.03436	1.2
69.33064	1.1
70.06608	1.0
71.01335	1.0
71.05016	1.5
85.02911	31.2
85.03412	1.1
91.05466	1.1
95.04964	2.0
99.04413	1.3
106.06565	9.6
107.06898	9.5
107.08594	2.2
111.93450	1.1
116.07143	1.8
121.06519	2.1
125.09613	2.6
126.75372	1.2
137.09621	2.6
144.10201	4.0
153.07014	2.1
155.04903	1.5
159.08128	1.1
167.04944	9.0
167.10690	1.7
169.06494	4.1
171.04382	1.3
171.08087	1.3
181.06465	12.4
183.08069	1.4
184.05154	11.4
185.05980	5.2
195.04427	11.0
196.05228	7.1
197.06012	5.7
199.07539	18.2
209.05951	7.9
209.11618	1.9
211.07513	2.1
212.04678	30.3
213.05457	10.0
223.03891	14.1
225.05530	1.6
226.06314	2.3
227.07025	100.0
228.07826	2.1
237.05394	8.3
240.04251	2.3
241.04848	1.3
241.08681	2.5
244.07272	6.1
250.24480	1.3
255.06525	32.7
259.09628	14.3
269.08273	1.6
283.98877	1.4
284.86212	1.3
287.05499	26.2
287.09143	67.5
287.14163	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.3
56.59089	0.9
59.96171	0.8
68.99767	1.9
69.03436	1.2
69.33064	1.1
70.06608	1.0
71.01335	1.0
71.05016	1.5
85.02911	31.2
85.03412	1.1
91.05466	1.1
95.04964	2.0
99.04413	1.3
106.06565	9.6
107.06898	9.5
107.08594	2.2
111.93450	1.1
116.07143	1.8
121.06519	2.1
125.09613	2.6
126.75372	1.2
137.09621	2.6
144.10201	4.0
153.07014	2.1
155.04903	1.5
159.08128	1.1
167.04944	9.0
167.10690	1.7
169.06494	4.1
171.04382	1.3
171.08087	1.3
181.06465	12.4
183.08069	1.4
184.05154	11.4
185.05980	5.2
195.04427	11.0
196.05228	7.1
197.06012	5.7
199.07539	18.2
209.05951	7.9
209.11618	1.9
211.07513	2.1
212.04678	30.3
213.05457	10.0
223.03891	14.1
225.05530	1.6
226.06314	2.3
227.07025	100.0
228.07826	2.1
237.05394	8.3
240.04251	2.3
241.04848	1.3
241.08681	2.5
244.07272	6.1
250.24480	1.3
255.06525	32.7
259.09628	14.3
269.08273	1.6
283.98877	1.4
284.86212	1.3
287.05499	26.2
287.09143	67.5
287.14163	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
58.14571	0.2
59.65747	0.2
62.29779	0.2
64.24428	0.2
67.01866	1.4
91.05465	1.4
95.04936	0.5
107.04964	1.8
111.04433	0.5
119.04942	8.8
121.02840	0.3
121.06526	0.2
123.04441	3.2
137.06026	0.3
147.04408	59.6
159.39365	0.2
165.05458	1.5
167.03387	100.0
185.04457	4.0
189.05457	0.9
193.04916	1.1
269.07913	0.4
287.09122	80.3
309.96646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
50.91082	1.5
51.72972	1.4
53.59009	1.6
57.03094	1.5
57.60181	1.4
63.16484	1.9
64.77208	1.6
74.65186	1.5
78.75682	1.7
79.22832	1.5
83.04992	2.1
91.05485	14.3
103.05481	2.1
105.07040	6.5
163.03902	42.2
167.03377	88.0
185.09619	2.1
195.08083	2.3
199.07367	1.8
203.70525	1.7
213.09100	100.0
226.40565	1.8
241.08582	55.9
241.12212	3.8
269.08020	24.9
287.08768	33.6
287.13330	1.6
287.19968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47449	1.0
56.57666	1.1
56.96888	1.1
57.02769	1.0
57.82698	1.1
82.06580	7.5
87.04468	1.5
88.03995	5.6
91.05474	3.1
93.07043	2.3
94.06551	13.5
99.35373	1.2
107.04958	1.3
119.04866	2.6
120.08096	1.5
121.06504	29.5
122.06837	25.8
125.00568	1.7
128.39894	1.3
135.02655	2.1
135.04417	3.0
136.07565	1.5
148.07628	4.6
150.05602	1.4
151.02107	6.6
153.03697	10.8
154.07445	1.5
160.07536	2.7
165.07851	60.0
166.03210	100.0
181.03168	19.7
188.07106	2.8
198.05823	12.6
201.83435	1.3
204.06505	3.3
207.04756	25.9
208.09723	6.7
216.06496	3.2
221.09254	2.0
224.07414	1.7
226.10733	12.5
233.09253	2.8
242.08430	2.0
253.05331	7.5
269.11356	8.0
270.07837	17.8
287.10306	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04990	1.0
70.06586	2.6
72.08120	1.3
79.52257	1.0
80.30872	1.1
116.07081	2.0
121.06525	1.5
144.10204	9.7
145.10268	1.3
164.96776	1.0
186.69373	1.1
201.06677	2.6
221.33110	1.3
287.05402	10.4
287.11005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32492	0.5
57.22378	0.6
61.61384	0.6
64.97263	0.6
70.06584	0.9
93.35249	0.7
99.08031	0.7
102.02300	0.6
141.23277	0.7
184.97774	0.7
202.60100	0.7
269.09848	0.9
277.95764	0.7
287.11002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64870	0.8
82.81327	0.8
102.25508	0.9
110.92850	0.9
132.62857	1.0
144.48102	1.1
179.34547	0.9
197.06657	1.1
271.32642	1.0
287.10989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40754	0.8
60.39539	0.9
70.00919	1.0
82.06583	1.0
84.08135	1.2
94.06553	1.5
101.78484	0.9
121.06510	5.0
122.72626	1.0
150.20035	1.1
165.07817	1.0
166.03212	6.2
174.47725	1.0
175.90157	0.9
187.14650	1.1
287.10968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72401	1.7
54.69569	1.5
63.55743	1.6
66.87198	1.4
70.06584	2.1
72.45072	1.7
81.03434	9.1
82.06590	40.4
84.08146	4.3
91.60813	1.5
94.06575	59.8
96.08154	2.1
97.02879	3.0
105.18568	2.0
108.04475	3.0
108.08112	2.3
116.13580	1.9
120.08096	16.6
121.06512	19.7
123.04456	2.3
124.07581	3.5
125.07133	2.3
127.03905	3.3
136.07556	7.3
137.06030	1.9
137.07124	8.8
148.07585	11.3
153.76509	1.7
160.07561	22.3
162.09166	2.7
187.58505	1.8
188.07100	11.2
190.08672	13.9
204.06540	12.2
208.09718	19.0
216.06609	16.7
221.09296	7.0
222.07582	3.6
226.10744	62.2
226.98058	2.3
233.09209	7.1
233.89436	2.1
244.11755	2.8
252.08574	1.9
257.65329	2.3
264.00201	1.8
267.16989	1.9
269.11365	32.1
270.09680	4.1
287.11169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72401	1.7
54.69569	1.5
63.55743	1.6
66.87198	1.4
70.06584	2.1
72.45072	1.7
81.03434	9.1
82.06590	40.4
84.08146	4.3
91.60813	1.5
94.06575	59.8
96.08154	2.1
97.02879	3.0
105.18568	2.0
108.04475	3.0
108.08112	2.3
116.13580	1.9
120.08096	16.6
121.06512	19.7
123.04456	2.3
124.07581	3.5
125.07133	2.3
127.03905	3.3
136.07556	7.3
137.06030	1.9
137.07124	8.8
148.07585	11.3
153.76509	1.7
160.07561	22.3
162.09166	2.7
187.58505	1.8
188.07100	11.2
190.08672	13.9
204.06540	12.2
208.09718	19.0
216.06609	16.7
221.09296	7.0
222.07582	3.6
226.10744	62.2
226.98058	2.3
233.09209	7.1
233.89436	2.1
244.11755	2.8
252.08574	1.9
257.65329	2.3
264.00201	1.8
267.16989	1.9
269.11365	32.1
270.09680	4.1
287.11169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	Myrigalone H
Peak:m/z	Relative Intensity
53.27618	0.5
53.51582	0.6
79.05489	0.7
79.23960	0.5
86.54311	0.6
91.05480	90.5
105.07036	100.0
115.05474	5.1
115.42735	0.6
132.88623	0.7
133.06493	11.2
152.02051	0.6
153.05539	0.6
155.07037	9.1
155.08961	0.8
157.06450	1.5
159.89194	0.6
167.07036	2.7
179.07063	3.9
179.61041	0.6
181.04948	1.4
181.10196	0.7
183.06522	7.7
188.93031	0.7
191.06992	3.3
209.09702	0.9
241.12303	1.1
264.23413	0.7
269.11734	3.9
287.12775	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1276
Annotation	Myrigalone H
Peak:m/z	Relative Intensity
53.00293	0.9
57.05130	1.0
59.67307	0.9
65.44011	1.0
67.05492	0.9
67.32872	0.9
67.68364	0.9
69.03408	1.1
79.14143	1.0
91.05482	83.6
95.08634	1.5
95.91548	1.2
105.07034	100.0
107.24454	1.3
114.97180	1.4
115.05460	15.2
117.07022	27.6
119.32163	1.1
124.58076	1.0
125.05997	2.3
129.07021	11.4
133.06450	8.2
136.45193	1.1
137.05998	2.6
144.45804	1.0
153.05461	43.0
155.07062	5.6
157.06494	4.6
165.05536	2.0
166.07790	1.7
167.07083	4.6
167.08525	2.0
169.10167	1.7
170.89426	1.1
176.04744	1.6
177.05411	2.4
179.07077	1.1
181.10088	19.4
183.06552	5.3
191.07016	36.0
191.08615	2.7
209.09615	10.4
223.11293	1.5
237.09123	12.0
238.09906	4.7
240.22260	1.2
241.12357	2.5
251.10660	1.3
253.08594	2.7
254.09392	10.8
269.11707	64.6
287.12814	67.1
287.16016	2.8
287.23712	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32166	1.6
67.05501	11.4
70.02959	15.0
80.05045	1.6
86.09692	1.8
87.05595	12.0
88.03968	6.3
89.77988	1.7
91.05482	3.0
93.07021	2.8
96.04451	3.2
108.04471	10.5
109.10143	18.9
117.74288	1.7
117.87051	1.8
119.08570	3.2
135.08035	3.5
136.07552	2.7
136.10248	1.8
136.11235	8.3
137.09587	23.9
154.05006	2.1
154.12251	17.3
162.12747	2.5
164.10710	12.4
166.12263	3.6
172.13335	18.5
173.11766	2.3
178.12285	16.5
180.13817	39.1
182.11743	11.4
184.13313	3.3
188.10730	9.0
198.14845	1.9
206.11757	73.8
210.11317	12.4
223.14362	2.5
224.12788	36.0
228.12195	4.0
236.47220	1.7
241.15477	14.9
241.17606	1.7
242.13840	8.5
243.16968	2.0
252.12347	3.7
269.14865	2.2
287.11133	30.3
287.16013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78579	1.9
61.94075	1.8
67.05501	4.3
69.07066	1.7
70.02951	5.0
70.06578	11.5
75.45501	1.9
81.57310	1.9
82.06590	3.1
82.27784	1.9
86.09716	4.8
87.05590	12.4
88.03962	2.6
93.07072	4.2
96.04502	2.9
98.09672	2.9
99.04449	3.3
107.04952	7.7
108.04459	9.3
109.10154	14.6
109.21925	2.2
116.01392	1.8
119.08610	2.6
122.06007	2.9
123.04473	3.9
128.07082	17.1
131.01640	2.9
131.04926	3.6
136.11263	4.8
137.05977	96.6
137.09570	17.2
137.66495	2.0
140.07002	2.6
144.10219	14.5
154.04933	2.4
154.12259	12.5
163.03912	2.8
163.07481	3.1
164.10696	4.8
166.12271	3.5
172.13271	16.2
173.11737	3.9
178.12236	12.4
180.13831	32.3
182.11736	12.3
184.13332	3.4
188.10625	3.2
189.12329	2.5
198.14857	2.3
206.11751	65.7
210.11211	11.3
213.05411	2.5
223.15187	11.9
224.12782	31.2
227.07086	3.0
228.74248	2.1
241.16180	21.0
242.13832	11.3
269.14926	6.8
287.05618	38.1
287.11130	95.8
287.16171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40730	1.9
55.01886	3.1
55.05513	15.4
57.03444	18.5
57.07083	3.7
67.05518	23.4
69.07066	42.2
71.04987	2.7
71.08643	3.2
79.05491	13.0
81.07056	42.2
83.08616	50.6
85.06560	4.4
91.05476	5.9
93.07042	36.1
95.08605	30.8
97.06541	21.5
97.10163	13.6
105.07011	15.2
107.08594	29.8
109.10172	21.7
109.13945	2.3
111.08086	17.1
115.07554	3.0
117.07010	3.7
119.08562	13.2
120.13892	2.5
121.10116	22.3
123.11654	4.5
131.08557	4.3
133.10136	11.9
135.11684	11.6
140.98680	2.4
145.10121	10.0
147.11671	4.6
149.13283	47.4
155.94402	2.9
157.10078	5.1
159.11708	15.8
167.14345	18.8
171.11656	3.1
171.13434	2.8
175.74768	2.6
177.12697	5.9
201.16475	3.6
213.14793	3.4
231.15854	44.6
269.22665	10.0
287.08325	22.3
287.10913	17.9
287.18549	100.0
287.23520	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
54.98393	2.1
66.66916	2.1
67.05505	4.4
76.69002	2.1
81.07066	24.7
83.08596	4.1
86.03310	2.3
91.05523	2.4
93.07048	14.0
95.08605	27.1
101.59290	2.7
105.07032	16.7
107.08599	16.1
109.10168	31.0
109.75976	2.4
110.04831	2.8
119.08575	12.4
121.06499	2.3
121.10157	15.6
123.11706	4.4
131.08537	4.4
133.10133	16.8
135.11711	21.0
145.10146	12.4
147.11699	18.2
149.13211	9.3
157.10121	2.9
159.11717	12.6
161.13264	22.4
171.11632	5.1
173.13283	10.4
175.14818	17.7
179.14316	2.7
185.13161	2.7
187.14839	11.9
199.14832	4.0
201.16457	5.1
205.15877	3.8
213.16341	10.1
227.18004	4.1
231.17509	2.9
231.25185	10.4
259.24097	2.8
269.22607	35.6
270.88910	3.2
287.20483	4.8
287.23697	100.0
287.31287	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	SCHEMBL13039025
Peak:m/z	Relative Intensity
67.05505	7.1
72.74229	3.1
78.66019	3.1
81.07060	37.9
84.80164	3.3
92.21512	4.5
92.22162	3.3
93.07017	8.6
95.08601	32.2
105.07040	15.6
107.08584	20.4
109.10170	26.2
117.06997	4.1
119.08586	15.8
121.10130	8.9
131.08539	6.6
133.10133	8.2
135.11708	4.9
145.10159	7.2
145.18434	4.2
147.11682	15.8
149.13173	4.1
157.10117	5.2
159.11723	15.5
161.13271	19.2
163.14740	4.3
173.13229	18.5
175.14821	8.5
180.08063	34.6
181.08855	15.1
183.65483	3.9
185.13347	4.9
186.93040	3.7
187.14796	7.0
191.14174	4.1
197.63899	4.3
199.14851	8.3
199.93333	3.8
200.55919	3.4
201.16359	4.7
203.17786	4.8
213.16382	16.6
217.17981	4.0
224.84494	4.2
227.17940	4.9
229.19539	5.1
241.19551	4.9
262.27008	4.0
269.22565	37.3
287.11023	16.9
287.15817	7.8
287.20264	7.8
287.23676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0861
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
58.06628	0.2
70.06580	0.4
72.08141	0.4
72.93784	0.7
78.67856	0.1
86.09706	0.3
87.04449	0.4
90.94832	0.7
107.04939	0.4
113.96395	2.4
121.06514	0.2
129.10201	0.6
130.97917	0.3
131.97433	1.0
132.95853	0.7
135.04422	0.2
137.05988	1.4
140.55602	0.1
150.96895	0.9
158.97409	0.8
160.95335	0.2
161.30855	0.2
171.06783	0.2
171.42235	0.2
174.08775	0.2
176.98491	0.3
181.99005	0.8
192.98036	0.2
197.98563	0.4
199.06271	0.9
200.00023	0.3
202.08681	1.4
203.05806	0.7
214.08640	0.8
218.08134	0.7
226.08638	3.9
227.05696	3.7
227.95772	0.2
242.08083	6.6
244.09677	1.0
246.78960	0.2
270.07605	1.8
272.09152	1.3
273.06366	0.9
273.09952	2.3
288.08667	100.0
288.12207	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1078
Annotation	Volkenin
Peak:m/z	Relative Intensity
57.03441	1.0
60.05658	8.5
61.02928	3.9
69.03416	1.7
70.06597	40.7
73.01735	0.7
73.30148	0.9
73.98697	0.8
79.39858	0.7
81.03424	2.0
84.04499	0.9
84.08141	1.4
85.02902	13.1
86.09711	7.3
94.43127	0.8
97.02884	4.2
98.06052	1.6
99.04475	0.8
108.04484	50.8
108.05213	2.0
109.02903	1.0
112.08730	8.2
116.07103	4.4
124.05157	1.1
126.05518	100.0
127.03905	1.8
138.05679	1.2
154.08653	3.4
158.09241	1.7
167.06923	2.0
172.09698	4.9
175.11902	16.1
177.05566	0.9
184.09688	1.7
184.13300	1.0
210.07637	1.4
212.12820	0.9
228.16960	1.1
229.08992	1.6
229.15491	3.3
255.48929	1.0
270.13364	0.9
271.17618	5.7
278.67767	0.9
284.60013	0.9
288.10788	9.6
288.14716	11.7
288.20279	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1228
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
55.05509	0.3
58.56202	0.2
58.70937	0.2
64.69433	0.2
70.06586	1.0
72.08158	4.6
73.44044	0.2
86.09698	1.5
92.21484	0.3
105.24317	0.2
107.04955	0.3
118.48287	0.2
119.02692	0.2
121.06516	0.4
129.10231	0.4
132.10187	1.2
132.11119	0.2
135.04410	0.3
137.05957	0.5
141.55516	0.2
143.11772	0.3
157.09671	0.4
172.71179	0.2
183.29070	0.2
189.12347	0.4
224.16495	0.4
227.09387	1.3
230.08122	0.8
242.17520	1.0
243.08798	0.3
244.09665	19.1
256.09637	3.1
258.07590	2.5
270.07547	0.3
271.09586	0.4
272.09158	23.6
273.09940	38.3
288.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1229
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
65.28019	0.3
69.41850	0.3
70.06591	0.3
71.37411	0.3
72.08154	7.5
86.09702	1.7
112.33292	0.3
121.06512	1.5
132.10194	1.8
137.06053	0.3
143.11787	0.6
175.24294	0.4
189.12370	0.8
227.09392	0.4
242.17444	0.6
243.16844	0.4
244.09677	21.8
256.09714	2.7
258.07620	3.5
270.07693	0.5
272.09167	24.2
273.09940	39.7
288.12289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1226
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
54.46191	0.5
58.06593	0.7
60.05623	0.5
70.06587	2.2
71.06580	0.5
84.08131	0.5
86.09699	3.5
87.04490	0.5
98.06042	0.6
112.08727	0.5
116.07063	1.1
123.04410	2.3
124.04732	1.1
125.09709	0.9
137.05966	2.9
138.06319	2.7
143.10664	1.1
150.87569	0.5
168.50386	0.5
175.11899	0.7
189.07805	0.5
201.07750	1.1
202.71602	0.5
212.07085	1.8
230.08110	17.6
244.09639	13.0
245.10460	31.2
253.09535	0.6
254.57933	0.6
256.09634	6.9
258.07562	0.7
260.75385	0.5
270.11258	2.8
271.06122	0.9
272.09119	4.8
273.09961	15.0
284.28873	0.5
288.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15598	0.3
51.59343	0.3
61.55047	0.3
62.93024	0.3
72.08150	2.3
79.78729	0.4
83.08060	0.3
84.07623	0.3
165.86542	0.3
196.94258	0.3
226.08591	0.4
227.05727	0.6
227.09300	0.5
242.08070	0.4
244.09660	21.5
256.09644	2.4
258.07681	3.4
270.07541	0.7
272.09146	27.0
273.09921	39.3
288.08710	14.6
288.12228	100.0
292.77106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1229
Annotation	Tetrahydropapaveroline
Peak:m/z	Relative Intensity
51.32124	1.0
53.43448	0.9
72.08160	1.3
86.09694	1.4
108.04485	1.5
115.05446	4.9
123.04429	99.7
133.06447	1.3
134.79593	1.2
137.05965	5.3
143.04926	31.7
149.05966	1.5
149.41159	1.0
160.31529	1.2
161.05968	61.5
162.05519	1.1
164.07057	100.0
172.10910	1.3
192.99568	1.2
196.53526	1.1
207.08098	1.8
225.09096	2.0
235.07573	1.7
253.08588	5.2
270.07635	1.7
270.11130	1.2
271.09680	21.7
288.08685	25.4
288.12241	83.2
305.97092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32124	1.0
53.43448	0.9
72.08160	1.3
86.09694	1.4
108.04485	1.5
115.05446	4.9
123.04429	99.7
133.06447	1.3
134.79593	1.2
137.05965	5.3
143.04926	31.7
149.05966	1.5
149.41159	1.0
160.31529	1.2
161.05968	61.5
162.05519	1.1
164.07057	100.0
172.10910	1.3
192.99568	1.2
196.53526	1.1
207.08098	1.8
225.09096	2.0
235.07573	1.7
253.08588	5.2
270.07635	1.7
270.11130	1.2
271.09680	21.7
288.08685	25.4
288.12241	83.2
305.97092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32124	1.0
53.43448	0.9
72.08160	1.3
86.09694	1.4
108.04485	1.5
115.05446	4.9
123.04429	99.7
133.06447	1.3
134.79593	1.2
137.05965	5.3
143.04926	31.7
149.05966	1.5
149.41159	1.0
160.31529	1.2
161.05968	61.5
162.05519	1.1
164.07057	100.0
172.10910	1.3
192.99568	1.2
196.53526	1.1
207.08098	1.8
225.09096	2.0
235.07573	1.7
253.08588	5.2
270.07635	1.7
270.11130	1.2
271.09680	21.7
288.08685	25.4
288.12241	83.2
305.97092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08834	0.9
51.54571	1.0
56.80418	1.0
68.66702	1.2
70.06583	5.8
73.76147	1.1
75.34351	1.2
78.52937	1.3
79.05495	2.2
81.07054	2.8
83.04980	2.8
83.87391	1.1
86.06067	31.1
87.04469	25.3
91.05478	3.1
93.07027	10.9
95.08660	1.2
97.02931	1.3
98.06052	100.0
107.04932	2.2
110.69801	1.3
121.06501	49.3
121.10127	10.8
126.05521	14.7
131.08598	2.1
137.05992	2.7
139.11197	2.3
142.08640	5.9
149.09627	16.7
149.69098	1.2
154.08643	11.5
166.12270	8.4
167.10684	1.6
168.13834	39.0
172.11208	1.5
174.03899	1.4
184.13234	12.1
198.54155	1.2
202.14349	1.9
206.15459	5.2
224.16472	9.9
234.14844	4.8
252.15926	35.9
274.07117	2.2
288.09103	1.6
288.12656	3.7
288.18109	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08834	0.9
51.54571	1.0
56.80418	1.0
68.66702	1.2
70.06583	5.8
73.76147	1.1
75.34351	1.2
78.52937	1.3
79.05495	2.2
81.07054	2.8
83.04980	2.8
83.87391	1.1
86.06067	31.1
87.04469	25.3
91.05478	3.1
93.07027	10.9
95.08660	1.2
97.02931	1.3
98.06052	100.0
107.04932	2.2
110.69801	1.3
121.06501	49.3
121.10127	10.8
126.05521	14.7
131.08598	2.1
137.05992	2.7
139.11197	2.3
142.08640	5.9
149.09627	16.7
149.69098	1.2
154.08643	11.5
166.12270	8.4
167.10684	1.6
168.13834	39.0
172.11208	1.5
174.03899	1.4
184.13234	12.1
198.54155	1.2
202.14349	1.9
206.15459	5.2
224.16472	9.9
234.14844	4.8
252.15926	35.9
274.07117	2.2
288.09103	1.6
288.12656	3.7
288.18109	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.203
Annotation	Arg Leu
Peak:m/z	Relative Intensity
59.34819	0.6
60.05396	0.9
60.05658	18.1
66.47176	0.7
68.04996	0.7
68.42885	0.8
70.06593	88.2
71.04971	0.8
72.08144	0.9
84.08131	1.5
85.02879	1.4
86.09692	12.8
98.06023	4.1
108.04500	5.5
111.01887	0.8
112.08737	13.3
115.08673	2.1
116.07088	6.5
121.06522	1.1
126.05509	10.6
127.03910	0.9
130.09775	2.0
137.05951	1.0
140.08244	1.6
149.06000	1.4
154.08624	1.1
156.11328	1.0
157.10870	1.9
158.09235	4.6
165.45465	1.0
166.08632	1.2
167.07028	6.5
172.09676	1.5
175.11894	37.9
177.05495	3.3
181.25319	0.9
183.14891	1.1
184.09697	5.4
208.14432	1.1
212.12852	3.6
223.74019	0.9
225.17122	3.6
227.09154	1.8
228.16980	6.1
229.09052	1.1
229.15486	6.5
254.14995	1.0
270.13284	1.5
271.17639	13.2
288.06519	1.0
288.10815	4.5
288.14474	9.3
288.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.253
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.75019	0.8
56.05034	7.4
57.07069	6.2
65.21790	1.0
68.61292	0.9
68.83555	1.1
69.07049	1.3
70.06587	1.2
71.08620	2.3
74.06084	24.5
74.55181	1.0
85.10191	1.6
88.07628	58.6
102.05537	4.8
114.19949	1.3
116.07050	1.6
118.08637	4.2
120.06549	6.9
120.30404	1.1
130.08635	2.2
204.13069	1.2
240.23215	2.7
242.24727	30.9
265.02908	1.5
270.24200	2.4
288.25308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.0
56.43758	0.6
57.07090	6.3
61.95418	0.7
71.08628	4.7
72.04496	0.7
73.02925	23.2
84.04520	1.1
85.10172	1.7
86.06071	3.7
88.07633	1.1
98.06059	0.9
98.09693	1.1
102.05550	28.8
116.07096	92.9
120.06586	1.2
159.64499	0.7
185.38979	0.9
205.81679	0.7
210.22197	3.6
253.23784	0.9
270.24200	1.6
281.06961	0.9
288.25320	100.0
291.50693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	1.4
57.07077	7.0
59.04725	0.5
61.27708	0.6
68.16791	0.6
70.12504	0.6
71.08623	4.3
72.04469	0.7
73.02917	19.5
79.70039	0.6
84.04502	1.0
85.10198	0.9
86.06080	3.0
88.07646	1.1
98.06036	1.0
102.05549	25.2
103.06322	0.9
116.07095	84.6
116.58588	0.6
194.69406	0.7
210.22154	2.7
221.91501	0.7
258.50696	0.7
270.24219	3.2
288.25317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53286	0.3
53.12573	0.2
54.68189	0.3
57.07055	4.7
62.29202	0.4
66.70212	0.3
70.06569	6.2
71.08596	1.7
82.08224	0.4
85.10123	1.3
88.07597	13.8
94.82379	0.4
102.09150	4.1
106.08634	10.6
138.61224	0.3
140.88812	0.3
156.44553	0.4
166.72328	0.4
244.26297	0.8
256.26239	0.7
270.27811	8.1
288.28848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34861	0.4
57.07082	3.8
57.07300	0.4
61.39183	0.4
68.23334	0.4
70.06299	0.4
70.06599	6.6
71.08620	2.4
75.35679	0.4
83.96964	0.5
85.10183	0.9
88.07628	14.8
102.09181	4.4
106.08659	11.0
126.12685	0.5
160.87595	0.5
162.19405	0.4
244.26338	1.0
256.26398	0.9
270.27905	8.7
271.11029	0.4
288.28958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03690	0.4
54.05984	0.4
57.07082	3.9
60.88683	0.4
66.72552	0.5
70.06599	4.9
71.08621	2.2
86.79246	0.6
88.07631	13.7
102.09207	5.0
106.08679	9.5
137.54121	0.5
138.58990	0.5
146.49001	0.4
244.26286	0.8
270.27979	7.9
288.28961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23377	0.4
57.07084	4.4
62.81366	0.4
68.42303	0.4
70.06593	7.3
71.08626	2.7
88.07632	13.9
88.75786	0.5
95.47105	0.4
102.09190	4.5
106.08673	10.8
136.34944	0.5
244.26360	0.8
256.26361	0.4
270.27853	8.6
288.28958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.9
70.06589	6.3
71.08630	2.2
80.20269	0.4
80.29970	0.4
80.41456	0.3
85.10178	0.5
88.07635	12.5
89.94315	0.4
102.09203	3.2
106.08681	8.7
119.16698	0.4
120.03326	0.4
147.54860	0.5
224.09659	0.4
244.26271	0.5
256.26413	0.8
270.27881	8.7
288.28952	100.0
293.19357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24224	0.4
57.07083	10.6
58.06606	0.8
58.47475	0.4
62.57554	0.5
69.07069	0.5
70.06602	8.8
70.67843	0.5
71.08631	7.8
71.14532	0.4
74.77009	0.5
85.10197	4.8
88.07629	24.8
105.88107	0.5
106.08671	41.0
112.06435	0.6
185.69339	0.5
188.85583	0.6
226.25371	2.5
227.19971	0.9
259.86484	0.6
270.27902	1.1
288.28952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12435	1.8
59.96531	1.9
71.07199	2.0
84.57161	2.1
108.31103	2.3
113.67732	2.1
115.63703	2.3
118.03524	13.0
127.03629	2.9
127.51187	2.0
129.05107	41.6
130.03481	3.1
131.01929	2.4
136.04552	9.5
145.04572	10.8
147.06134	22.0
148.04581	5.5
156.05032	12.1
173.04070	100.0
174.06171	5.2
175.03883	11.8
182.02928	2.4
184.04512	3.5
191.05130	63.3
193.04860	10.8
199.05702	19.1
200.04053	2.6
200.07002	5.6
217.06683	3.8
219.64954	2.3
222.02313	2.8
227.05104	30.1
253.03076	14.6
254.04445	3.4
271.04132	34.0
289.05093	19.2
289.08032	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04485	7.0
57.82259	7.3
62.84952	9.0
64.41302	8.7
70.06596	13.7
74.26627	7.6
81.06522	7.8
90.00567	9.5
133.22305	11.2
254.82191	9.7
257.12207	12.4
289.06516	100.0
289.11743	16.3
289.14783	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.068
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01930	6.6
69.03430	8.2
72.98260	6.7
73.02926	9.6
84.08140	46.3
85.02876	29.8
91.19039	7.9
93.41837	8.7
99.95091	7.1
126.59860	8.5
127.03873	20.1
142.41971	8.6
170.92767	8.0
185.02760	8.8
263.86038	8.7
289.03766	12.2
289.06790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99152	3.5
84.08109	29.1
93.52345	3.8
96.49657	4.2
97.12463	4.0
99.78725	3.7
128.66104	4.0
169.03629	4.0
199.10901	5.6
207.62987	4.3
208.68027	4.3
210.51251	4.3
221.45381	3.9
267.00018	4.0
289.07959	100.0
289.10895	8.1
289.13992	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0856
Annotation	Irenolone
Peak:m/z	Relative Intensity
51.56988	0.2
58.96728	0.2
88.53833	0.2
91.81979	0.2
92.20918	0.5
131.44302	0.2
189.06964	1.2
190.07729	1.7
198.33237	0.2
202.07745	0.5
203.08511	1.0
205.10025	0.4
210.97124	0.2
215.08556	1.2
218.07294	5.5
229.06477	2.4
230.07167	0.6
231.08122	0.5
232.08769	0.4
233.09604	4.3
243.08038	1.1
246.06766	8.4
248.87964	0.2
257.03302	0.3
257.05981	6.3
258.06735	1.4
259.07465	0.3
260.08228	0.3
261.09094	11.9
271.07434	0.5
274.06216	22.7
289.08569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.09642	0.3
53.03951	0.3
57.03416	0.4
61.02924	0.5
67.17957	0.3
69.03443	0.9
69.49883	0.4
73.02930	0.5
78.07796	0.3
80.18435	0.3
81.03420	1.4
85.02903	5.1
87.96216	0.3
91.03940	0.6
97.02892	1.7
98.47422	0.5
99.04446	0.6
109.02868	0.7
127.03920	100.0
132.23114	0.4
145.57983	0.4
223.84776	0.4
230.06989	0.6
245.09279	2.1
274.09357	2.7
289.08420	1.7
289.11737	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10598	2.6
50.13837	2.0
56.05036	3.1
57.03451	4.9
66.28674	2.7
69.03423	11.7
69.94669	2.7
72.04523	5.9
72.59777	2.5
73.02925	3.0
75.46173	2.6
81.03426	54.7
82.02942	12.3
83.05005	5.5
84.04516	14.7
85.02915	24.4
86.02426	11.9
87.05582	7.1
88.03996	6.0
96.04494	13.3
97.02903	37.9
97.03955	3.0
98.02430	4.6
99.04464	12.0
100.03979	11.5
101.07159	3.8
108.04485	6.3
109.02861	6.9
110.06080	11.0
111.04403	6.2
111.05570	3.9
112.03950	4.8
114.05505	3.9
115.03893	3.0
116.03470	5.6
117.06609	5.5
118.26569	2.5
120.04494	3.7
122.06046	11.6
126.05531	5.5
127.03902	40.0
128.03413	21.5
130.05000	3.9
134.06012	26.1
136.03938	3.6
138.05566	4.7
143.04544	3.0
143.05679	3.6
145.04967	5.5
145.06062	55.7
148.03966	3.8
150.05502	16.6
152.03416	4.8
152.07053	6.0
154.05000	23.7
156.06599	3.2
157.06052	6.7
162.05452	5.0
165.06509	6.5
165.73273	3.0
166.04971	11.5
167.08188	3.4
170.08072	3.1
172.05995	20.8
174.07603	6.7
178.04942	12.9
180.06564	12.0
182.04512	13.1
194.04480	36.6
195.07660	25.8
196.06183	3.8
200.05542	18.4
206.04532	3.7
210.07632	20.6
211.07318	3.7
212.05547	5.1
213.08614	4.0
214.06955	3.5
218.06540	4.4
223.07158	18.4
228.08696	4.5
230.06647	21.1
232.08276	3.7
236.05518	3.1
242.06554	15.6
253.08163	100.0
259.09259	5.9
260.07581	4.3
271.09250	63.0
289.10406	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1181
Annotation	Limazepine A
Peak:m/z	Relative Intensity
56.31766	0.5
60.19543	0.6
67.05524	1.0
69.03424	0.8
74.56036	0.6
79.05505	0.8
81.07045	1.0
83.04975	3.8
83.24432	0.6
93.07049	1.1
95.08611	1.3
96.20257	0.6
105.07021	3.0
108.08101	1.2
109.06507	1.1
109.10178	0.7
119.08609	2.8
120.08087	2.9
121.06526	0.9
121.10123	0.6
123.08058	0.6
131.08568	1.6
136.03957	0.9
143.08553	0.7
145.06509	0.9
147.08054	1.3
148.07599	1.0
154.04951	1.0
158.09657	0.9
159.08014	2.7
160.09950	2.9
161.09659	1.3
161.13374	0.6
169.11597	0.7
172.07564	2.5
172.11192	2.6
173.09656	1.3
175.12315	6.0
186.04042	0.7
186.05510	6.3
186.07697	0.7
186.09196	1.4
188.09433	7.4
198.09128	1.4
200.07108	4.6
203.11795	5.7
204.06592	0.7
213.06523	1.2
214.07361	6.8
215.08199	2.8
215.11803	4.1
226.08609	4.3
228.08887	4.8
229.09796	4.9
232.08522	0.8
241.05971	1.2
243.11263	23.9
243.17477	0.7
259.07129	1.5
261.12347	10.0
271.10773	27.8
271.16913	3.8
272.19897	0.7
289.11823	100.0
289.17853	15.5
289.22687	2.7
289.25543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
55.05515	2.2
55.32225	0.8
57.03445	7.2
58.79586	0.8
67.05514	5.2
79.05493	4.5
80.79340	1.0
81.07043	4.8
85.22486	1.0
88.07640	1.3
91.05470	4.7
93.07034	1.8
95.05001	1.0
95.08601	1.8
97.10132	1.8
103.05407	1.0
103.39198	0.9
105.07026	1.6
107.04973	2.2
107.08578	2.3
109.06527	1.8
109.10155	1.6
117.07037	1.8
119.08586	8.8
121.06518	4.1
123.11684	1.2
125.09587	1.1
131.08556	1.4
133.10158	1.4
135.08026	5.0
137.09668	1.3
145.06496	1.2
147.08037	4.3
159.08046	17.2
160.08813	1.5
161.09641	1.2
163.07574	1.2
173.09579	1.5
215.14301	1.5
233.15388	7.6
243.17332	1.5
253.15814	1.2
271.16925	15.0
289.17975	100.0
289.29050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
54.22306	1.4
55.05507	7.0
55.81340	1.3
55.96389	1.3
57.03444	10.4
57.07067	1.1
67.05498	5.1
69.07055	1.6
74.06082	1.4
79.05489	6.0
81.03395	1.9
81.07048	6.3
82.37908	1.2
83.08619	2.6
88.07623	8.8
89.07960	1.9
91.05464	5.5
93.07038	2.3
95.04953	2.0
95.08590	2.4
97.10170	1.7
105.07034	3.3
107.04938	3.0
107.08601	3.4
109.06523	1.7
109.10126	2.5
111.38480	1.3
117.07021	5.8
119.08588	9.4
121.06484	3.0
121.10112	2.3
133.10120	1.7
135.08025	8.3
145.10042	1.8
147.08075	3.0
149.05954	2.7
159.08041	17.9
161.09634	3.1
165.12822	1.7
169.10002	1.9
171.11600	1.7
175.50227	1.5
177.09087	2.4
185.09703	1.7
187.14995	1.6
197.09758	1.7
201.07140	1.9
211.14911	2.2
215.14311	2.9
233.15337	6.6
243.17363	2.0
253.15916	2.8
271.16907	21.3
289.17947	100.0
289.25452	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
60.46278	0.8
67.05491	1.6
79.05482	4.5
81.07074	6.8
83.08588	1.6
93.07043	7.4
93.32127	1.0
95.08618	10.7
100.98025	1.0
105.07059	4.6
107.08566	4.8
109.10168	4.2
109.18104	1.0
117.06973	1.1
119.08565	5.2
121.10130	12.4
122.23295	0.9
131.08551	5.5
133.10132	6.4
135.11685	2.3
143.08534	3.9
145.10133	8.8
147.11629	7.6
149.13271	6.2
150.11760	1.1
150.37584	1.0
155.08551	5.1
157.10161	8.1
159.11702	12.1
161.13242	8.4
169.10107	4.0
171.11678	5.8
173.13243	5.3
177.12697	1.7
183.11737	1.6
185.13242	8.2
187.14828	4.5
189.12724	2.2
197.13269	6.7
199.14815	6.7
199.18008	1.1
201.16389	3.9
211.14861	2.2
213.16385	10.3
215.14388	2.1
225.16316	2.0
231.17464	1.5
241.19495	27.3
243.21130	12.6
253.19519	9.5
259.20560	100.0
271.20538	31.3
272.19891	1.1
274.06082	1.1
289.08408	7.8
289.21591	52.1
289.24854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.75011	2.7
55.05511	13.3
57.03447	3.5
57.07079	3.8
65.76474	2.6
67.05517	5.8
68.56669	3.3
69.07069	12.1
79.05480	6.9
81.07059	19.5
83.08624	5.2
88.84917	3.0
91.05483	16.2
93.07046	27.2
95.08614	22.6
97.10208	4.9
105.07009	34.2
107.08597	18.0
109.06516	6.6
109.10197	5.2
119.08585	30.3
121.06503	13.4
121.10136	7.3
123.11768	3.5
131.08553	14.3
133.10109	25.3
135.08043	16.1
139.20384	2.9
143.08574	3.9
145.10144	11.6
147.11705	15.2
149.13254	4.0
159.11676	5.5
161.09650	4.9
161.13260	6.1
163.11166	6.4
172.90080	2.9
175.14838	3.9
177.12793	18.1
196.32408	3.1
201.12689	3.5
233.15492	3.4
244.79713	2.9
261.22144	19.0
271.16760	4.7
289.17944	37.8
289.21622	100.0
289.24927	6.4
289.29126	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
54.12595	2.4
55.05515	23.2
57.07093	2.7
63.85813	2.4
67.05497	11.8
69.07081	5.3
79.05482	12.0
81.07059	16.9
87.51400	2.3
88.88655	2.5
91.05483	4.5
93.07047	16.8
95.08611	15.1
97.10185	4.3
105.07013	26.2
107.08580	20.0
109.10112	3.7
109.81966	2.5
119.08598	20.9
121.06483	16.3
121.10146	13.2
131.08565	10.7
133.10150	11.1
135.08051	6.3
141.91196	2.5
145.10165	4.7
147.11699	12.7
149.09657	3.4
149.13222	3.3
155.08534	3.6
159.11610	3.4
161.13216	13.1
163.11183	13.7
163.14760	3.5
165.04376	2.6
177.12738	20.5
183.11697	2.5
187.14728	2.8
189.68713	3.2
191.14343	2.7
230.57819	2.7
243.20872	3.3
261.22116	25.0
271.20480	4.7
289.18442	4.2
289.21606	100.0
289.24887	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
55.05505	1.3
60.46278	0.8
67.05491	1.6
79.05482	4.5
81.07074	6.8
83.08588	1.6
93.07043	7.4
93.32127	1.0
95.08618	10.7
100.98025	1.0
105.07059	4.6
107.08566	4.8
109.10168	4.2
109.18104	1.0
117.06973	1.1
119.08565	5.2
121.10130	12.4
122.23295	0.9
131.08551	5.5
133.10132	6.4
135.11685	2.3
143.08534	3.9
145.10133	8.8
147.11629	7.6
149.13271	6.2
150.11760	1.1
150.37584	1.0
155.08551	5.1
157.10161	8.1
159.11702	12.1
161.13242	8.4
169.10107	4.0
171.11678	5.8
173.13243	5.3
177.12697	1.7
183.11737	1.6
185.13242	8.2
187.14828	4.5
189.12724	2.2
197.13269	6.7
199.14815	6.7
199.18008	1.1
201.16389	3.9
211.14861	2.2
213.16385	10.3
215.14388	2.1
225.16316	2.0
231.17464	1.5
241.19495	27.3
243.21130	12.6
253.19519	9.5
259.20560	100.0
271.20538	31.3
272.19891	1.1
274.06082	1.1
289.08408	7.8
289.21591	52.1
289.24854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.82432	1.1
55.05523	9.6
57.03425	1.3
57.07074	2.8
59.04977	1.0
67.05517	10.8
69.07071	28.2
71.04981	2.3
79.05492	9.1
81.07063	55.5
83.08637	13.5
85.06530	2.9
91.05450	6.6
93.07043	28.3
95.04970	2.1
95.08612	43.9
97.10176	5.5
99.08085	1.5
105.07043	12.8
107.08591	36.4
109.06490	1.3
109.10159	32.6
111.08096	2.7
111.11695	7.4
119.08584	21.9
121.10136	28.2
123.08105	1.5
123.11694	26.3
125.09632	1.7
127.11221	2.1
131.08548	3.0
133.10135	13.4
135.11703	28.2
137.09660	1.7
137.13252	6.2
138.04427	1.3
139.11188	4.8
141.12648	1.2
145.10152	10.8
147.08038	5.4
147.11685	17.9
149.13258	35.5
151.11200	5.1
159.11717	10.8
161.13232	13.0
163.14769	10.9
165.12740	2.2
167.14330	2.7
173.13300	9.2
175.14815	8.9
177.16386	9.6
187.14761	6.7
189.16344	9.5
191.17924	5.6
193.39284	1.3
201.16316	9.6
203.17926	8.9
215.17967	7.6
229.19469	2.2
231.21132	2.5
271.24176	22.9
289.18250	13.8
289.21826	3.2
289.25229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.42327	1.5
55.05519	7.6
57.03436	4.8
57.07056	3.0
63.80258	1.8
67.05504	18.4
69.07072	27.3
69.31217	2.0
72.90364	2.0
79.05482	14.4
81.07060	100.0
81.54903	1.9
83.08607	15.8
85.06536	2.5
87.81231	1.9
91.05492	15.3
93.07037	28.4
95.04955	8.8
95.08611	51.4
97.10169	12.3
105.07047	24.0
107.08581	20.3
109.06485	2.9
109.10156	40.8
111.08125	7.3
117.07081	2.3
119.08562	18.2
121.10149	18.3
123.11712	23.9
131.08563	9.4
133.10121	26.1
135.11717	10.3
137.09647	2.9
145.10123	10.8
147.11705	12.1
149.13264	8.9
151.11208	8.4
159.11743	8.0
161.09637	12.4
161.13286	9.6
163.14836	7.4
169.12247	2.7
173.13263	7.6
175.14850	3.5
177.16386	3.1
179.10677	4.5
179.14247	2.5
189.16362	9.9
201.16284	2.8
215.12604	2.4
215.17982	4.4
231.21123	2.7
271.16965	2.4
271.24100	13.4
289.17862	15.4
289.21634	6.9
289.25162	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19375	0.4
69.07083	0.5
79.85649	0.4
81.07055	0.5
91.05473	0.5
93.07047	0.6
95.08604	0.6
97.49443	0.5
110.10504	0.8
121.06485	0.5
121.10217	0.6
140.72667	0.6
233.47919	0.5
247.07097	0.9
258.06451	0.7
260.07257	0.7
262.08484	0.9
272.20853	2.6
273.09106	2.6
275.06763	3.3
290.08124	100.0
290.21841	5.8
290.26938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96207	0.4
84.69949	0.4
108.77599	0.4
141.70247	0.4
262.08539	1.1
273.20517	1.0
275.06583	0.5
290.08096	100.0
290.22931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1384
Annotation	Pseudolycorine
Peak:m/z	Relative Intensity
62.83093	0.4
66.14005	0.4
69.07008	0.4
72.08131	0.7
74.00013	0.4
81.79626	0.5
86.09718	2.3
110.06094	0.6
155.06047	0.5
168.08084	2.9
185.08386	2.2
186.09123	3.0
198.09178	1.2
200.10797	0.8
202.12280	0.6
212.10771	0.7
224.20784	0.5
228.10159	8.9
228.86960	0.6
229.10960	74.2
230.11774	10.8
272.11337	0.8
290.13858	100.0
300.73959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	9.2
57.07094	5.5
57.07306	0.6
58.06591	4.9
60.04526	1.5
62.69370	0.7
66.93935	0.6
71.08617	3.3
74.06076	9.8
75.13755	0.7
76.81028	0.8
85.10178	1.6
86.06060	1.9
88.07626	12.8
97.65151	0.8
104.26518	0.8
118.08646	5.2
122.08125	8.6
223.24049	0.8
242.24770	56.5
250.76863	1.0
272.25870	1.6
290.26862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97145	0.7
53.70545	0.7
56.05043	9.4
57.07080	7.8
58.06613	7.8
59.82452	0.7
60.04507	1.1
70.75191	0.7
71.08617	5.0
73.97948	0.7
74.06087	9.8
84.67735	0.7
85.10208	1.0
86.06094	0.9
87.97473	0.7
88.07618	16.9
104.07109	1.2
118.08672	6.2
122.08150	9.1
136.68857	0.9
137.87212	0.9
242.24750	69.8
272.25720	1.9
277.34250	0.9
277.87711	1.0
290.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02158	0.8
56.05038	8.8
56.64203	0.7
57.07085	6.7
58.06603	7.1
58.56252	0.7
60.04509	1.0
71.08630	3.5
74.06077	9.8
75.39526	0.7
79.88724	0.7
85.10196	1.1
86.06064	1.5
88.07624	16.9
96.34237	0.9
118.08665	6.1
122.08139	8.0
203.33275	0.9
210.22368	0.8
242.24780	69.8
290.26889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	9.4
57.07087	6.9
58.06608	6.2
71.08626	3.7
74.06080	10.8
82.24911	0.7
85.10181	1.1
86.06091	1.3
88.07631	16.1
104.07100	0.8
118.08656	7.6
122.08167	7.1
141.68929	0.7
161.04634	0.6
189.39786	0.7
197.84831	0.8
242.24780	54.2
272.25836	3.3
290.26898	100.0
314.14243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	8.2
57.07076	5.9
58.06605	7.0
60.04529	1.2
71.08624	4.2
74.06086	10.5
82.91041	0.6
85.10189	1.5
86.06067	1.1
88.07631	13.9
111.57685	0.6
118.08645	7.1
118.17551	0.7
122.08147	8.9
169.17035	0.7
194.07603	0.7
196.18715	0.9
242.24763	58.5
260.60138	0.7
272.25745	1.7
290.26889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	4.3
58.43652	0.4
60.45313	0.5
60.81179	0.4
61.56948	0.5
67.98242	0.4
70.06600	7.0
71.08640	0.8
71.51150	0.5
83.93230	0.4
85.10151	0.8
88.07125	0.8
88.07632	20.8
95.40342	0.4
102.08564	0.7
102.09186	13.3
104.52088	0.4
146.11810	0.7
150.11330	0.6
184.20546	0.8
228.23213	70.1
272.25873	5.2
290.26874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40261	1.0
55.05519	11.6
57.07089	1.7
57.89848	1.0
59.28770	1.1
67.05497	1.5
69.07076	21.6
70.06590	2.7
74.06050	1.1
82.61722	1.2
82.83973	1.0
83.08633	13.3
88.07625	11.3
97.10178	10.8
105.07080	1.2
106.08673	44.7
111.11715	1.5
118.08656	32.1
131.08482	1.2
135.60800	1.1
272.17358	1.9
272.25891	25.4
290.08228	4.2
290.17743	7.6
290.21246	10.2
290.26889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40261	1.0
55.05519	11.6
57.07089	1.7
57.89848	1.0
59.28770	1.1
67.05497	1.5
69.07076	21.6
70.06590	2.7
74.06050	1.1
82.61722	1.2
82.83973	1.0
83.08633	13.3
88.07625	11.3
97.10178	10.8
105.07080	1.2
106.08673	44.7
111.11715	1.5
118.08656	32.1
131.08482	1.2
135.60800	1.1
272.17358	1.9
272.25891	25.4
290.08228	4.2
290.17743	7.6
290.21246	10.2
290.26889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	4.3
70.06590	8.6
85.34841	0.9
88.07634	23.0
94.05781	0.9
102.09191	15.1
118.08646	3.9
126.69881	0.9
133.61728	0.8
153.79526	1.0
184.20645	1.3
210.16309	0.9
228.20923	2.0
228.23224	73.9
272.25812	5.4
290.26880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39867	0.5
57.07075	4.2
58.06590	0.8
70.06582	7.1
71.08624	1.2
71.39082	0.6
72.16462	0.5
88.07121	1.1
88.07629	21.2
96.25731	0.5
102.09186	14.2
132.10219	1.4
183.58154	0.6
184.20631	0.9
208.65378	0.6
228.23222	72.0
266.07565	0.6
272.25781	5.7
274.89447	0.6
290.26883	100.0
309.96667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10000	9.2
55.73435	10.7
56.96564	25.8
58.16685	8.4
59.50726	10.0
60.84912	10.8
74.57433	10.0
84.08170	14.8
98.77145	11.0
98.97571	67.0
101.54751	10.2
103.96156	10.0
108.47247	10.7
116.98628	51.9
124.99061	20.0
134.99693	17.1
143.00166	69.3
149.76912	10.9
161.01288	24.0
161.02884	10.6
170.99667	52.0
171.48767	12.7
182.04422	12.5
185.01183	44.5
189.00708	67.2
213.00775	21.9
219.03532	19.8
231.01816	27.5
249.02786	48.7
253.31656	12.5
267.03922	21.1
291.03903	54.8
291.08627	33.6
309.04935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75284	1.7
55.01866	1.8
55.05522	2.5
57.31176	1.7
60.08862	1.8
65.03931	2.6
66.32085	1.6
67.05501	4.1
68.82421	1.7
70.64387	1.9
83.78906	2.6
85.96497	2.1
93.03409	17.5
93.07072	4.2
95.04981	2.4
95.08587	2.6
97.02890	13.9
98.76646	2.0
102.73421	1.8
105.07077	2.4
111.04436	2.4
116.97607	1.9
119.08574	2.0
121.02872	3.1
125.05987	8.4
129.07057	17.6
131.08578	2.9
139.03880	2.0
141.06956	7.1
145.10091	2.0
151.03911	9.1
156.05573	2.3
157.06482	37.5
159.38280	2.1
161.06053	2.5
161.09666	2.0
167.04924	12.2
169.06470	18.2
174.06805	3.4
175.04004	1.9
185.05923	17.8
187.07487	3.9
188.08328	8.3
189.09138	50.9
195.04422	3.7
199.07559	38.5
201.09091	4.4
213.05402	4.4
214.06277	3.0
215.07014	4.4
217.08627	53.5
227.07028	34.2
245.08083	59.0
261.40088	2.3
263.09470	9.2
273.07581	10.9
273.18445	3.3
274.21582	9.3
291.08606	100.0
291.12274	7.5
291.19614	15.3
291.24197	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Gerfelin
Peak:m/z	Relative Intensity
52.75284	1.7
55.01866	1.8
55.05522	2.5
57.31176	1.7
60.08862	1.8
65.03931	2.6
66.32085	1.6
67.05501	4.1
68.82421	1.7
70.64387	1.9
83.78906	2.6
85.96497	2.1
93.03409	17.5
93.07072	4.2
95.04981	2.4
95.08587	2.6
97.02890	13.9
98.76646	2.0
102.73421	1.8
105.07077	2.4
111.04436	2.4
116.97607	1.9
119.08574	2.0
121.02872	3.1
125.05987	8.4
129.07057	17.6
131.08578	2.9
139.03880	2.0
141.06956	7.1
145.10091	2.0
151.03911	9.1
156.05573	2.3
157.06482	37.5
159.38280	2.1
161.06053	2.5
161.09666	2.0
167.04924	12.2
169.06470	18.2
174.06805	3.4
175.04004	1.9
185.05923	17.8
187.07487	3.9
188.08328	8.3
189.09138	50.9
195.04422	3.7
199.07559	38.5
201.09091	4.4
213.05402	4.4
214.06277	3.0
215.07014	4.4
217.08627	53.5
227.07028	34.2
245.08083	59.0
261.40088	2.3
263.09470	9.2
273.07581	10.9
273.18445	3.3
274.21582	9.3
291.08606	100.0
291.12274	7.5
291.19614	15.3
291.24197	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.097
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
74.82053	1.0
87.00858	1.0
93.16171	0.8
94.22146	0.8
101.44180	0.9
113.56348	0.9
118.06514	4.2
129.07063	1.0
130.06522	77.7
132.08105	18.6
142.06458	1.7
144.08058	4.5
146.06010	19.2
156.08098	5.2
157.06444	2.0
158.08342	4.1
159.09164	100.0
160.07553	4.7
169.06386	1.2
169.07646	1.1
170.05981	29.8
179.67688	1.0
181.07588	1.6
182.05949	1.3
183.09206	4.6
184.07596	20.2
185.07109	43.7
187.08653	6.1
188.07047	42.3
189.09105	1.8
199.07306	1.5
200.07092	11.5
201.10197	11.0
209.07054	3.8
217.08672	1.7
227.08142	43.7
229.09801	1.2
231.07907	2.9
245.09216	72.7
255.07695	3.4
263.09378	5.9
273.08722	12.7
275.09488	0.8
291.08878	19.9
291.12161	1.7
306.07666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1224
Annotation	Oidiolactone C
Peak:m/z	Relative Intensity
50.33858	1.9
50.66013	2.3
56.90218	2.5
66.42364	2.6
77.88959	2.9
79.05469	4.0
81.07063	3.5
81.67893	3.0
84.60285	2.8
91.05473	10.9
93.07029	4.5
105.07098	2.9
107.04930	4.2
107.08565	3.5
107.45065	3.5
109.06527	4.0
111.53635	2.7
117.06995	12.3
119.04917	24.7
131.08571	5.7
133.72299	2.8
143.08607	4.6
144.05788	3.7
145.06413	20.1
147.04445	40.0
150.08249	2.8
155.08533	11.5
157.06537	3.6
157.10133	4.1
159.08098	5.4
161.05960	3.3
167.06992	6.3
167.08484	3.4
170.07234	4.3
171.08023	6.3
172.08742	3.5
173.05937	25.9
173.09703	3.5
175.03882	84.8
175.05295	4.5
181.06445	6.1
182.09338	3.5
183.08035	11.0
184.08759	4.3
185.09612	12.1
187.07538	6.2
187.11136	7.1
189.09129	3.8
190.06207	3.9
191.06982	6.6
194.68509	2.9
195.08057	11.5
198.06749	23.5
199.07439	5.9
200.08289	4.7
203.06993	3.4
204.07706	3.4
205.08578	15.2
207.06516	100.0
209.06018	2.8
213.09074	33.9
215.10703	6.6
217.04887	3.3
217.08563	3.2
219.10040	6.8
226.06227	14.3
227.07028	11.7
230.09273	5.0
231.10139	6.6
241.08615	18.3
243.06509	3.6
245.08040	3.4
245.11777	36.8
247.13185	4.5
257.92853	3.1
258.08865	6.1
259.09518	21.1
273.11115	21.7
273.18320	4.6
291.09286	6.1
291.12326	85.5
291.19412	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1224
Annotation	Antibiotic LL-Z 1271gamma
Peak:m/z	Relative Intensity
51.81519	6.4
55.01875	7.3
60.52294	6.2
62.17332	6.0
69.03421	14.3
69.07076	15.2
70.06594	7.3
71.05016	11.3
80.02612	7.4
81.03420	57.8
83.08643	7.7
85.02888	39.5
91.05492	8.3
93.07017	12.5
95.04939	7.6
97.02905	7.8
105.07024	13.6
107.08607	13.8
109.02889	15.7
109.10207	8.8
111.04425	16.6
111.11737	7.5
114.32722	6.9
119.04924	11.8
121.10138	42.6
125.09625	10.8
129.06996	17.3
131.04948	10.7
131.08601	7.8
133.06480	9.7
133.10129	29.7
137.05968	13.9
141.06900	7.8
143.10669	29.3
145.06447	11.5
147.04411	88.3
149.06006	12.1
151.07553	74.3
153.55418	8.0
157.06464	13.9
160.05177	9.4
163.07533	11.4
167.08542	12.7
169.06442	16.9
171.08057	10.6
175.07549	98.4
177.05447	13.6
177.09109	31.8
185.09669	8.8
187.07556	12.9
189.09097	15.4
189.16429	8.8
189.40028	8.2
191.06966	8.7
193.08575	28.8
195.08025	33.1
199.07628	8.5
201.05441	8.4
201.09071	32.9
203.06950	12.9
207.06497	13.7
213.09088	14.1
215.07138	9.1
217.08513	15.9
227.07080	9.1
229.08644	35.7
231.10164	11.3
245.08058	40.3
245.11758	7.4
246.07585	31.8
263.09787	8.3
264.62073	7.4
273.11240	33.5
291.08838	15.6
291.09467	15.2
291.12311	100.0
291.16669	12.2
291.19687	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Oidiolactone C
Peak:m/z	Relative Intensity
58.13497	2.6
64.43043	3.0
81.07069	4.4
91.05489	18.2
93.07045	7.1
95.08666	3.3
101.91359	4.0
107.04988	4.9
114.52152	3.9
117.07018	15.1
119.04937	27.8
121.10175	5.9
129.06950	6.7
131.08571	8.6
142.07761	3.9
143.08527	6.8
144.05743	5.3
145.06500	33.1
147.04410	36.4
153.06993	7.3
155.06044	4.1
155.08571	15.4
157.06483	7.3
159.08037	15.5
167.08598	6.9
170.07260	3.9
171.08008	7.2
172.08806	8.5
173.05963	42.4
175.03911	87.9
177.35374	3.3
181.06511	14.2
183.08058	14.5
184.08856	7.0
185.05916	3.7
185.09598	23.7
187.07521	15.0
187.11189	16.2
190.06149	5.5
191.07071	4.8
195.08101	18.4
198.06786	31.0
199.07552	18.3
200.08252	5.7
205.08635	23.4
206.09604	5.9
207.06526	86.5
209.05966	6.1
213.09091	57.1
215.10652	18.8
217.08635	18.0
219.10255	14.8
226.06244	35.6
227.07059	18.4
230.09401	8.0
231.10190	6.0
232.10953	13.9
235.06094	4.2
241.08534	45.1
245.11620	41.4
247.13235	4.7
258.08878	13.4
259.09723	47.2
273.11215	36.1
274.21591	4.8
291.08826	16.3
291.12296	100.0
291.19504	8.1
291.24283	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	4.0
60.05652	12.1
61.00653	2.4
63.61414	1.9
68.83953	1.8
70.06593	42.7
71.04974	4.9
72.08141	3.4
73.37746	1.9
74.02443	2.3
75.01299	1.8
76.83277	1.9
78.75871	2.1
82.31020	1.9
84.08146	31.5
87.04476	3.4
87.70243	2.5
89.99336	2.0
95.06100	4.6
112.08748	14.7
113.07095	3.1
115.08704	12.3
116.03436	3.5
116.07107	25.1
116.21059	2.1
129.10266	3.5
130.08636	10.7
130.09761	10.6
134.04483	4.6
140.29826	2.4
158.09264	8.8
161.09187	3.2
162.11247	11.4
168.06580	2.5
175.11897	53.7
186.07593	4.1
195.07758	3.3
196.06084	2.4
214.07129	3.2
232.08189	13.8
256.09140	2.6
273.10989	4.3
291.13068	100.0
291.15668	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33319	0.3
57.04554	0.4
60.31109	0.3
60.99837	0.4
62.14691	0.3
65.03937	0.4
70.06609	1.4
71.02955	0.5
72.08158	7.0
82.97790	0.4
89.10798	3.3
91.05510	0.7
114.10280	7.1
115.08683	2.6
119.04900	2.1
121.06499	0.6
128.11838	17.7
129.07628	0.4
129.10242	5.9
131.23309	0.3
138.09219	0.4
140.18987	0.4
147.04408	100.0
160.07547	2.3
187.57324	0.4
217.13364	11.0
218.11765	21.5
235.14430	4.5
260.14011	2.8
274.15482	5.6
291.13089	1.5
291.18140	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33319	0.3
57.04554	0.4
60.31109	0.3
60.99837	0.4
62.14691	0.3
65.03937	0.4
70.06609	1.4
71.02955	0.5
72.08158	7.0
82.97790	0.4
89.10798	3.3
91.05510	0.7
114.10280	7.1
115.08683	2.6
119.04900	2.1
121.06499	0.6
128.11838	17.7
129.07628	0.4
129.10242	5.9
131.23309	0.3
138.09219	0.4
140.18987	0.4
147.04408	100.0
160.07547	2.3
187.57324	0.4
217.13364	11.0
218.11765	21.5
235.14430	4.5
260.14011	2.8
274.15482	5.6
291.13089	1.5
291.18140	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.92793	1.4
53.01896	1.5
55.01879	3.7
55.05518	13.2
57.03436	13.3
60.65194	1.7
67.05515	13.1
69.07095	2.9
75.38404	1.6
79.05486	18.9
81.07065	30.4
83.08637	10.3
85.06576	2.4
87.85067	1.8
90.28722	1.7
91.05484	14.3
93.07061	15.0
95.04974	4.7
95.08604	8.8
97.10185	12.3
103.52368	1.8
105.07063	13.5
105.98805	2.1
107.04967	7.1
107.08610	14.2
109.06536	12.3
109.10122	2.3
109.76599	1.8
117.07024	24.0
119.08566	32.2
121.06499	14.6
121.10136	8.3
125.09626	4.1
125.21604	2.0
129.06979	8.2
131.08554	19.9
133.10104	3.3
135.08055	24.9
143.08571	8.5
145.10165	19.5
147.08060	22.4
147.11786	2.5
149.09634	4.3
157.10165	4.1
159.11670	3.9
161.09578	9.7
163.11174	2.2
171.11690	3.0
185.13354	2.3
189.11148	2.6
217.15900	4.5
236.86044	2.1
273.18506	40.3
291.19537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01891	1.4
55.05518	4.5
57.03432	1.1
58.56641	1.1
62.98266	1.0
67.05510	12.1
69.07071	5.7
69.29494	1.0
71.04984	2.1
72.03334	1.0
79.05499	20.2
81.03425	2.7
81.07063	87.2
83.05013	1.4
83.08629	1.3
91.05500	8.3
92.62841	1.0
93.07040	8.4
95.04956	5.2
95.08598	6.5
97.06464	1.2
105.07021	8.8
107.04949	4.6
107.08589	5.6
109.06525	100.0
111.08025	1.1
117.07031	7.2
119.08584	5.7
121.06462	1.3
121.10113	2.7
123.08109	1.8
127.53069	1.1
129.06981	1.2
131.08553	4.5
133.10135	2.1
143.08578	1.3
145.10112	6.5
149.09627	5.8
157.10196	1.2
161.09590	7.3
187.11079	1.3
273.18448	8.8
291.19516	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1946
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01863	9.4
55.05509	33.4
57.03420	4.3
67.05495	54.3
69.03432	3.7
69.07057	35.5
79.05464	62.7
81.03405	5.8
81.07046	72.7
83.04967	5.8
83.08601	9.1
84.34554	5.4
90.94735	4.0
91.05460	80.8
93.07024	79.7
95.04922	26.3
95.08592	91.6
97.10133	6.1
103.39417	4.6
105.07014	53.7
107.04942	100.0
107.08556	49.4
109.06496	29.8
109.10127	33.5
110.78344	4.3
117.06966	33.1
119.08543	77.8
121.06465	16.7
121.10098	18.4
123.04490	4.5
123.08044	4.9
125.09625	10.6
129.06946	7.5
130.19508	5.0
131.08524	43.0
133.10112	29.8
135.08066	43.4
135.11594	6.1
137.09630	34.9
143.08534	20.4
145.10107	46.2
146.32401	4.8
147.08023	27.2
147.11656	7.4
149.09554	23.9
157.10107	26.7
159.11668	17.6
161.09552	22.6
163.11244	4.9
165.09114	6.6
171.11635	8.9
177.09070	40.9
189.11157	5.0
221.39159	4.5
227.17879	19.8
243.24980	8.5
245.18912	17.9
255.17360	19.5
273.18402	83.0
291.19489	87.5
291.27148	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.54753	1.9
55.01869	4.0
55.05510	17.3
57.03437	13.4
67.05502	16.7
67.80141	2.2
68.40447	2.5
69.03438	4.2
69.07056	5.4
79.05511	17.6
81.07066	32.3
83.04983	2.9
83.08608	5.2
91.05479	17.5
93.07050	25.9
95.04968	4.9
95.08576	17.9
97.10151	2.9
105.07040	24.7
105.28725	2.4
105.80023	2.3
107.04957	15.2
107.08589	22.0
109.06527	18.9
109.10162	4.8
117.07014	11.4
119.08592	25.2
121.06499	6.1
121.10083	3.4
123.08089	10.5
125.09612	2.9
127.07552	2.5
129.06940	3.6
131.08540	19.1
133.06522	3.6
133.10126	18.8
134.77049	2.4
135.08029	24.6
137.09622	3.0
143.08545	11.6
145.10118	14.1
147.08078	14.7
147.11633	4.2
149.09587	21.4
157.10129	10.6
159.08113	2.9
159.11681	4.6
161.09595	16.5
163.11246	4.0
165.09123	2.9
171.11679	4.9
173.13148	2.9
175.11201	10.7
183.11655	2.7
217.15799	3.0
243.09814	2.7
245.18985	13.0
255.17473	5.3
273.18457	96.0
283.18594	3.2
291.16205	4.0
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.01397	2.0
53.03962	4.4
55.01868	4.0
55.05515	14.6
57.03436	4.5
58.26840	2.1
65.03979	1.9
67.05514	24.1
68.06182	2.0
68.50542	2.2
69.03432	24.2
69.07063	4.4
79.05511	23.9
81.03417	20.9
81.07063	100.0
83.04984	4.7
83.08621	5.7
84.34782	2.2
91.05508	18.2
93.07047	25.7
95.04979	16.5
95.08624	17.9
97.06528	3.6
97.10200	7.8
99.31702	2.4
105.07045	22.2
107.04976	9.9
107.08597	18.6
109.06530	63.0
109.10188	5.1
111.08105	4.9
114.81194	2.3
117.07000	15.5
119.08602	11.8
121.06499	9.2
121.10153	11.2
123.08057	13.0
129.07028	3.1
131.08603	12.3
133.10147	9.5
135.08051	10.0
135.11702	3.6
143.08603	11.7
145.06487	3.5
145.10118	16.8
147.08049	11.2
149.09607	12.3
156.14973	2.7
157.10124	5.5
159.11725	12.1
161.09587	4.7
163.11156	2.6
169.10164	3.7
175.11234	2.6
177.12758	4.9
189.11252	4.1
195.13805	4.1
223.13374	5.2
241.14322	11.2
245.19150	2.8
273.18399	29.7
274.21729	3.9
287.52930	2.8
290.37195	2.4
291.19522	51.1
291.24481	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.01868	5.3
55.05519	13.6
57.03439	9.8
67.05505	14.7
69.03427	3.3
69.07077	3.4
78.14204	1.9
79.05488	21.3
81.07062	27.4
83.04984	3.1
83.08623	11.3
85.06546	2.6
91.05480	22.0
93.07047	21.3
95.04957	4.9
95.08611	11.6
97.10151	11.8
105.07047	20.7
107.04958	13.3
107.08619	17.7
109.06541	17.9
109.10201	5.2
117.07014	13.5
119.08569	26.2
121.06510	11.5
121.10142	9.3
123.08058	8.7
125.09636	3.4
129.07019	5.2
131.08607	21.1
133.06549	2.9
133.10158	11.3
135.08072	33.9
135.11700	3.1
143.08575	8.8
145.10126	18.4
147.08026	16.7
147.11690	3.5
149.09624	8.4
151.07524	3.5
157.10085	5.3
159.07956	2.5
159.11694	8.6
161.09639	14.2
163.11150	3.4
171.11720	4.3
199.14738	2.8
201.12743	2.9
217.15973	9.6
235.19209	2.3
245.19055	2.6
273.18481	49.1
291.19510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03968	3.2
55.01863	5.1
55.05514	28.6
57.03441	5.8
61.83497	2.5
67.05509	26.1
69.03414	12.5
69.07071	18.6
79.05504	31.5
81.07072	47.3
83.05000	3.6
83.08624	13.1
85.06517	3.1
91.05485	28.8
93.07037	21.7
95.04966	5.5
95.08603	20.3
95.26160	3.2
95.61082	3.5
97.10177	17.7
104.53609	2.9
105.03331	3.0
105.07039	26.8
107.04950	11.9
107.08600	20.9
108.96133	3.1
109.06523	11.7
109.10149	14.0
111.08057	7.1
117.07022	23.4
119.08582	41.0
119.09350	4.3
121.06509	17.7
121.10141	7.5
123.08120	5.5
125.09643	7.3
129.07031	6.8
131.08582	32.8
133.06476	4.2
133.10124	12.2
133.17146	3.2
135.07991	21.8
143.08522	10.8
145.06503	3.2
145.10132	25.5
147.08063	37.3
147.11732	4.0
149.09633	18.3
151.07539	7.6
157.10123	7.3
159.11694	5.8
161.09648	5.4
163.11172	4.2
171.11641	4.7
173.13181	3.7
175.11110	8.8
188.21472	3.3
189.11250	5.6
189.12761	6.5
207.13815	3.6
217.15892	4.2
249.14668	6.1
255.17349	3.5
273.18472	80.2
288.56830	3.5
291.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.01864	2.7
55.05518	13.1
57.03450	6.7
57.07079	3.1
60.58692	2.6
67.05502	16.7
69.03427	9.9
69.07066	13.7
70.06607	3.3
70.48791	2.5
79.05479	21.6
81.07056	26.8
83.04964	5.5
83.08595	4.9
88.07633	12.4
91.05457	21.0
92.20978	3.8
93.07060	31.3
95.04960	6.1
95.08608	14.6
97.06514	3.7
97.10151	6.3
99.08131	3.4
102.09218	4.2
105.07015	20.0
107.04944	10.8
107.08604	15.9
109.06518	14.6
109.10164	12.6
111.08095	3.7
117.07034	11.8
119.08595	20.9
121.06506	5.8
121.10158	16.9
123.08088	11.7
128.88275	2.6
131.08572	17.3
133.10147	16.1
135.08049	15.0
137.09682	2.9
142.02309	2.7
143.08574	12.8
144.50671	4.0
145.10155	17.2
147.08076	21.1
147.11681	5.7
149.09628	20.1
151.07509	20.8
157.10141	10.8
159.11697	3.3
161.09642	17.6
163.11200	6.2
171.11681	3.2
175.11221	4.5
177.66666	2.9
189.12749	4.9
203.43510	2.8
205.12288	4.1
207.13806	12.0
217.15894	3.5
229.23549	36.9
231.17172	4.0
245.19040	5.4
255.17360	4.8
273.18500	72.0
291.19504	100.0
291.27206	58.4
304.39749	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
54.62546	4.1
55.01876	13.9
55.05531	37.1
57.03454	3.4
62.16700	3.2
67.05516	32.2
69.03403	4.4
69.07054	9.0
71.61313	3.7
72.32580	3.3
75.46552	3.1
79.05503	49.8
81.07063	61.4
83.04987	4.7
83.08630	19.8
86.72997	3.6
89.17649	3.6
91.05493	44.8
92.70154	3.8
93.07051	18.4
95.04974	14.5
95.08632	8.1
97.10168	33.8
98.72942	3.3
105.03405	4.5
105.07030	24.5
107.04967	6.5
107.08596	27.6
109.10148	6.0
117.07033	28.8
119.08572	74.3
121.06536	8.9
121.10162	5.2
123.08012	5.5
125.09635	22.4
129.06985	14.7
131.08563	40.0
133.06525	5.8
133.10153	4.9
135.08084	13.4
143.08559	22.2
145.10143	30.3
147.08064	67.1
149.09644	6.3
157.10152	5.3
159.11633	7.6
161.09615	8.9
163.11179	5.0
171.11700	6.7
182.81911	3.5
189.11157	6.7
249.14902	5.8
255.17584	6.6
273.18475	100.0
291.19577	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05512	18.6
55.48228	2.1
57.03415	2.4
57.07081	5.6
67.05510	68.7
69.07085	18.6
71.08616	2.8
79.05510	30.6
81.07061	74.6
81.07499	4.6
83.08627	14.1
85.06536	4.9
88.07662	2.3
91.05480	18.9
93.07046	58.0
95.04940	2.4
95.08615	77.4
97.06484	3.6
97.10179	8.6
99.08046	3.0
105.07035	14.6
107.08601	43.3
109.06487	2.6
109.10157	40.0
119.08562	20.3
121.10123	27.9
123.11727	20.4
131.08534	3.2
133.10150	19.6
135.11674	17.9
137.13235	5.5
147.11693	19.9
149.13245	19.9
151.14868	3.1
157.10094	2.6
161.13251	15.7
163.14806	9.5
173.13158	2.7
175.14810	15.5
185.13222	3.1
189.12720	3.4
189.16354	3.1
206.71942	2.6
217.19499	5.1
231.21124	3.0
241.19429	4.0
243.25133	3.7
259.20517	9.2
273.25653	16.5
291.19922	4.1
291.23187	69.4
291.26855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05513	12.5
55.59518	1.4
57.07079	3.3
65.91773	1.4
67.05510	41.7
69.07076	20.7
71.51105	1.6
79.05502	57.9
81.07066	48.9
83.08614	10.0
91.05482	16.9
93.07044	94.7
95.04964	3.0
95.08607	40.3
97.06538	2.0
97.10168	4.3
105.07034	20.9
107.08601	60.5
107.09332	2.2
109.06518	2.4
109.10188	24.7
112.39426	1.7
113.46643	1.9
117.07006	2.8
119.08537	15.6
121.10153	52.0
123.07987	1.9
123.11697	10.8
124.32001	1.6
131.08549	6.9
133.10124	17.9
135.08025	2.1
135.11702	58.9
137.09633	2.6
145.10110	3.0
147.11688	12.2
149.09625	9.2
149.13251	34.3
159.11661	6.7
161.13260	9.5
162.33969	1.9
163.11192	3.1
163.14804	10.1
169.58824	1.7
171.11691	2.4
173.13148	2.8
175.14821	9.6
177.12762	3.8
179.14174	1.8
209.15230	2.4
213.16385	2.3
231.17308	2.1
241.19479	9.0
243.25136	3.3
259.20520	9.4
273.25806	3.6
291.19894	4.6
291.23169	100.0
291.26920	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.01884	2.5
55.05512	20.6
57.03428	1.4
58.27719	1.7
67.05500	31.3
67.85018	1.6
68.79542	1.6
69.07065	18.2
71.04964	2.2
79.05492	62.9
81.07059	55.1
83.04974	3.3
83.08620	10.7
83.35686	1.5
85.06537	2.1
91.05475	19.3
93.07040	100.0
95.04958	10.3
95.08611	38.0
97.10159	11.1
105.07042	20.3
107.04940	4.5
107.08588	73.7
109.06518	12.4
109.10149	20.8
117.07024	7.0
119.08580	28.7
121.06489	3.0
121.10130	57.8
123.11720	4.5
125.09636	3.3
129.07022	2.3
131.08556	11.4
133.10101	15.8
135.08038	10.1
135.11681	55.4
137.05992	15.7
143.08510	6.4
145.10123	12.0
147.08063	2.7
147.11655	12.8
149.09627	4.1
149.13254	31.4
151.11069	2.3
157.10100	3.5
159.11694	7.8
161.09659	2.1
161.13258	9.1
163.14793	8.7
171.11665	6.8
173.13223	2.1
175.14839	7.6
185.13292	2.2
199.14708	2.5
203.14304	2.3
203.49533	1.7
213.16289	1.9
235.14700	1.9
259.20605	8.7
263.19867	2.1
273.18442	11.8
291.19571	38.0
291.23163	95.4
291.26996	11.3
296.44528	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.42296	2.3
53.89594	2.4
55.05515	12.3
55.20255	2.4
57.07078	12.2
67.05508	50.5
69.07061	18.7
71.08622	5.0
79.05491	22.4
81.07056	64.9
83.08611	6.6
85.06551	3.9
88.47453	2.8
91.05470	6.1
93.07026	22.8
95.08607	70.5
97.10154	5.9
105.07026	7.7
107.08601	19.0
109.06533	4.0
109.10161	39.6
117.07002	3.1
119.08565	17.4
121.10138	19.6
123.11700	19.3
133.10127	11.6
135.11673	5.7
137.13255	5.8
147.11679	4.7
149.13345	3.7
157.18900	3.2
161.13286	4.9
243.25180	16.6
273.18369	3.9
273.25803	20.2
291.19769	23.2
291.23462	15.8
291.26843	100.0
293.90457	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.34228	1.1
54.34288	1.6
55.01879	1.5
55.05517	11.8
56.30645	1.2
57.03413	1.8
57.07072	11.1
59.30293	1.5
59.90719	1.3
63.12486	1.5
67.05508	64.0
68.70908	1.4
69.03421	1.3
69.07067	16.5
71.08611	6.0
72.00387	1.4
79.05486	19.2
81.07060	88.1
81.07545	3.0
83.08591	12.3
85.06564	3.3
85.10191	2.4
91.05502	11.4
93.07028	33.8
95.04928	1.6
95.08603	88.8
97.10165	7.7
99.08098	3.0
105.07011	11.0
107.08589	17.9
107.35609	1.6
109.06522	1.6
109.10158	47.7
110.10722	1.4
111.08058	2.6
111.11709	2.3
119.08619	12.7
121.10125	21.7
123.08092	2.2
123.11701	19.9
131.08672	1.8
133.10150	16.1
135.08046	3.0
135.11676	14.0
137.09587	2.3
137.13264	9.8
145.10132	1.9
147.11641	13.2
149.13234	9.8
151.14786	2.9
159.11699	2.0
161.13220	10.1
163.14793	3.4
175.14848	7.9
177.16376	3.3
189.12752	1.7
195.38246	1.4
203.17932	1.6
217.19617	1.8
234.69946	1.5
241.19453	2.1
243.25085	1.9
259.20566	3.1
273.25754	17.0
291.19513	8.2
291.23224	20.4
291.26825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
51.83682	0.5
53.92191	0.5
55.05521	8.1
57.06855	0.6
57.07084	8.4
65.03926	0.7
67.05512	58.8
69.07063	14.4
71.05002	1.1
71.08632	6.2
74.39290	0.7
79.05499	13.4
81.07064	73.6
83.04967	1.0
83.08629	11.2
85.06539	1.5
85.10178	1.6
85.40237	0.6
91.05464	7.1
92.20948	0.7
93.07049	17.3
95.04950	0.8
95.08610	80.5
97.06541	4.7
97.10178	6.5
99.08078	2.7
105.01214	0.6
105.07023	7.2
106.72400	0.7
106.73122	0.9
107.08604	11.9
109.06552	1.3
109.10159	44.1
111.08067	1.5
111.11706	3.0
117.17226	0.8
119.08601	7.0
121.10141	16.6
123.08092	0.8
123.11703	22.1
133.10138	9.9
135.11708	10.0
137.13245	5.9
147.11694	7.2
149.13237	5.1
151.14774	3.2
161.13239	5.9
163.14798	0.8
165.16446	2.0
165.75240	0.6
175.14746	3.5
177.16411	0.9
179.17979	1.4
189.16443	1.6
191.18005	1.5
193.19551	1.2
207.21111	1.1
243.25121	2.5
245.04881	0.7
273.18466	0.6
273.25778	17.5
291.19678	2.6
291.23615	3.6
291.26819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05504	8.5
57.07072	9.6
57.60134	1.3
59.49421	1.2
63.93056	1.5
67.05187	2.2
67.05515	50.5
69.06769	1.1
69.07072	15.7
71.08628	3.0
73.21020	1.4
79.05491	16.5
81.06628	2.5
81.07069	65.4
83.08624	8.1
83.16803	1.3
85.06544	3.0
85.10176	5.9
91.05471	9.5
93.07045	24.0
95.04943	3.4
95.08612	64.4
97.10164	9.5
99.08070	2.3
105.07042	7.9
107.08607	14.7
109.06519	2.0
109.10158	32.6
111.08074	2.2
111.11667	1.5
117.07017	2.1
119.08578	7.0
121.10167	22.9
123.08040	2.2
123.11691	11.8
132.34773	1.4
133.10124	10.3
135.11688	14.9
137.09608	1.7
137.13243	7.5
138.38159	1.6
145.10133	1.6
147.11652	7.6
149.13243	8.8
149.51839	2.0
151.11197	1.7
151.14819	2.9
155.14313	1.6
161.13255	8.4
175.14841	3.1
177.16295	2.2
179.14319	2.0
185.31671	1.6
243.25114	10.1
273.18326	2.0
273.25760	15.6
291.19510	9.3
291.23239	14.3
291.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.79505	1.0
55.05513	7.5
57.03432	1.4
57.07076	9.1
60.54635	1.0
67.05509	52.1
69.07082	13.3
71.08624	5.4
79.05488	10.6
81.07061	71.8
83.08619	12.6
85.10161	1.3
91.05466	5.8
93.07040	13.5
94.84085	1.2
95.08608	76.4
97.06531	1.8
97.10165	7.5
99.08087	1.7
105.07010	6.7
107.08617	11.0
109.10161	45.0
111.08067	2.2
111.11699	1.6
119.08566	5.2
121.10165	14.7
123.11703	16.2
133.10191	9.1
135.11699	9.0
137.13263	6.2
147.11688	6.9
149.13251	2.3
151.14815	4.6
159.11595	1.2
161.13263	6.2
163.14799	1.4
165.16379	1.9
175.14830	4.5
177.16367	1.6
189.16302	1.5
191.17918	4.4
203.17970	1.2
238.81097	1.1
273.25760	15.9
291.26819	100.0
299.80295	1.2
308.05716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2675
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05501	7.5
57.07069	5.7
60.39253	1.2
61.18990	1.4
65.03939	1.5
67.05504	44.2
69.07063	13.4
71.08602	2.7
79.05473	8.5
81.07053	70.8
83.08616	7.7
85.75737	1.4
88.69371	1.3
89.36581	1.4
91.05442	3.4
93.07026	15.2
95.08598	65.6
97.06528	1.9
97.10151	8.2
99.08073	1.9
105.06988	5.9
107.08566	9.9
109.10145	32.0
116.50213	1.4
119.08543	6.5
121.10147	12.3
123.11703	16.5
124.89898	1.5
133.10109	5.8
135.11694	8.4
137.09581	1.6
137.13239	6.3
147.11665	6.0
149.09537	1.5
149.13191	2.9
161.13286	2.0
163.14766	1.8
175.14745	3.5
189.16409	1.6
197.30638	1.4
207.20868	1.5
223.14621	1.6
225.65041	1.4
243.25073	8.7
263.09473	1.9
273.18384	3.2
273.25735	13.0
291.08875	6.6
291.19604	16.4
291.26828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05513	10.6
57.07084	4.4
57.18895	2.8
67.05511	48.6
69.07075	16.3
69.09259	2.2
71.08620	3.8
79.05479	17.5
81.07059	82.8
81.50751	2.7
83.08620	10.5
85.10188	2.7
86.05277	2.2
91.05480	10.4
92.20928	3.6
93.07058	33.5
95.08611	67.4
97.10170	5.9
105.07010	3.4
107.04988	3.5
107.08598	28.5
109.06493	2.7
109.10146	42.8
111.11755	2.9
115.75134	2.4
119.08579	14.4
121.10132	24.1
123.08053	3.5
123.11733	18.0
133.10133	11.1
135.08148	3.1
135.11652	23.1
137.13275	3.7
147.11705	6.1
149.09549	3.0
149.13318	5.4
161.13232	3.3
163.11266	2.9
243.25150	10.5
273.18552	3.7
273.25833	13.9
286.61957	3.1
291.19608	14.8
291.23233	18.3
291.26907	100.0
291.98981	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05050	6.7
57.05364	1.3
57.07076	4.8
58.06604	3.0
58.07414	1.2
60.04506	1.2
71.08637	1.5
74.06086	9.3
75.06399	1.0
77.11272	0.6
85.10151	1.0
87.06454	0.9
88.07631	11.8
89.07964	4.7
106.93195	0.8
118.08652	3.9
119.09004	0.9
122.08146	5.5
123.08489	1.1
131.91286	0.7
135.90889	0.9
199.94977	0.7
242.24797	3.3
243.25102	50.8
273.26151	1.1
288.81442	0.8
291.27222	100.0
311.16779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0967
Annotation	Pareitropone
Peak:m/z	Relative Intensity
55.84217	0.2
58.76002	0.2
60.60140	0.2
73.62328	0.2
76.73142	0.2
87.24648	0.2
112.56154	0.2
140.62294	0.2
146.78293	0.2
177.14964	0.2
196.35529	0.2
234.08995	0.2
249.07785	0.4
249.15916	0.2
262.08609	0.4
264.10062	1.4
277.07294	1.8
287.15744	0.2
290.07849	0.2
292.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1025
Annotation	Sarmentosin epoxide
Peak:m/z	Relative Intensity
51.63279	2.1
55.01880	2.7
57.03413	2.3
57.77462	2.0
60.04548	3.3
60.05655	5.1
62.31283	2.2
64.44857	2.1
66.00258	2.0
68.05042	4.3
69.03436	17.4
70.06594	27.3
71.04985	4.5
71.06924	9.3
81.03410	4.9
84.04506	57.4
85.02911	23.6
86.36410	2.5
87.03196	15.6
96.04480	6.1
97.02892	77.6
98.06054	10.1
100.04002	2.7
102.05556	26.0
109.02905	4.0
112.03963	11.6
112.08675	4.7
114.05518	30.5
115.08666	3.3
116.07124	3.1
117.07413	5.9
122.06020	4.0
126.05508	17.3
127.03920	12.4
130.05019	34.3
134.06020	12.5
136.07599	3.8
138.05540	4.9
142.05016	18.4
143.05812	12.0
144.06503	4.4
145.04967	2.3
148.06039	33.6
148.07040	3.0
154.04982	4.2
160.03917	3.1
160.06033	12.1
161.06830	12.7
162.05524	16.9
164.07034	4.7
168.06497	3.6
169.06897	2.6
172.05998	3.9
175.11917	11.0
176.12263	23.9
180.06519	19.0
182.08086	2.8
192.06599	11.2
208.06042	23.5
210.07677	5.1
215.07451	3.3
226.07080	62.1
226.09102	4.1
228.08638	10.9
232.08206	3.0
233.08549	4.0
238.07019	3.8
246.09799	19.3
268.89417	3.3
274.09167	58.5
292.10205	100.0
292.13297	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56141	1.0
51.31046	1.0
52.65619	1.0
57.07067	1.9
66.65255	1.2
69.03444	2.5
81.03419	1.9
85.02916	1.5
91.05479	33.6
91.22855	1.1
96.04498	1.8
97.02895	35.3
99.04407	1.3
103.05444	10.8
105.07061	2.0
107.04961	6.8
107.59161	1.0
109.42953	1.2
112.03970	31.5
117.06994	1.4
119.07336	1.5
120.08109	12.7
126.34521	1.2
129.06990	5.5
130.06519	11.9
131.04973	8.5
132.08078	2.1
143.05789	16.7
143.08542	4.5
155.08630	1.1
156.08087	7.1
158.09647	1.4
168.08046	1.4
171.08076	6.5
174.09163	1.8
176.07051	9.3
182.09615	1.6
189.19525	1.3
198.09149	13.3
202.08565	4.8
216.10167	4.8
224.60847	1.2
228.10104	1.3
234.98973	9.3
244.09770	12.6
246.11275	16.8
292.11780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.154
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
64.51379	1.0
65.64944	0.8
74.06073	1.8
78.94608	0.9
85.69818	0.9
93.07034	3.9
99.04457	2.4
121.06498	100.0
154.08604	9.0
164.07040	4.0
172.09674	22.8
189.94560	0.9
190.93115	1.1
193.66997	1.0
194.08145	0.9
194.11771	1.7
234.82190	1.0
239.72079	1.1
274.14178	1.6
292.12189	3.1
292.15402	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.154
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51379	1.0
65.64944	0.8
74.06073	1.8
78.94608	0.9
85.69818	0.9
93.07034	3.9
99.04457	2.4
121.06498	100.0
154.08604	9.0
164.07040	4.0
172.09674	22.8
189.94560	0.9
190.93115	1.1
193.66997	1.0
194.08145	0.9
194.11771	1.7
234.82190	1.0
239.72079	1.1
274.14178	1.6
292.12189	3.1
292.15402	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46829	0.3
54.96219	0.3
60.03545	0.4
64.19610	0.4
79.05500	2.2
91.05452	0.4
92.05006	0.7
95.04965	0.8
106.06558	35.6
107.07297	0.7
108.08097	0.4
114.92406	0.4
120.08091	3.2
124.93919	0.5
133.07605	4.0
144.08080	1.0
145.08881	3.6
145.10065	0.6
149.05977	0.5
158.09679	1.1
159.10435	1.6
160.11212	100.0
171.09079	0.7
172.11185	0.9
185.10727	2.3
274.18909	1.7
275.20120	0.5
277.15765	1.6
292.18051	48.2
292.22852	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07454	0.4
77.95875	0.5
79.05485	2.6
92.04972	0.8
92.54836	0.4
95.04987	0.7
106.06556	41.1
107.07369	0.5
108.08141	0.7
118.05328	0.8
120.08108	3.3
133.07594	3.5
135.76146	0.6
144.08090	1.1
145.08841	4.2
158.09758	0.7
159.10393	1.0
160.11206	100.0
179.35007	0.5
184.10085	0.5
185.10684	2.1
186.11623	0.5
216.72424	0.5
272.23981	0.5
277.15594	1.1
282.77591	0.7
292.18054	47.3
307.17847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29687	0.4
53.98133	0.4
62.55230	0.4
62.80978	0.5
66.43275	0.4
78.10602	0.5
79.05480	2.0
85.98035	0.5
92.04998	0.9
95.04978	0.9
106.06563	38.8
106.07288	1.3
107.04978	0.6
107.07338	0.7
107.08580	0.7
108.08155	0.8
120.08101	3.6
131.08539	0.5
133.07616	4.7
133.08466	0.5
135.08002	0.6
139.47348	0.6
144.07990	0.7
145.08862	3.8
156.05441	0.5
158.09508	0.5
159.10417	3.0
160.11208	100.0
171.09206	0.9
172.11224	0.7
185.10768	4.2
202.24513	0.6
228.01619	0.5
274.18771	2.7
275.19937	1.9
277.15738	1.0
292.18045	55.0
292.22858	1.8
292.27383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1806
Annotation	Vasicoline
Peak:m/z	Relative Intensity
53.29687	0.4
53.98133	0.4
62.55230	0.4
62.80978	0.5
66.43275	0.4
78.10602	0.5
79.05480	2.0
85.98035	0.5
92.04998	0.9
95.04978	0.9
106.06563	38.8
106.07288	1.3
107.04978	0.6
107.07338	0.7
107.08580	0.7
108.08155	0.8
120.08101	3.6
131.08539	0.5
133.07616	4.7
133.08466	0.5
135.08002	0.6
139.47348	0.6
144.07990	0.7
145.08862	3.8
156.05441	0.5
158.09508	0.5
159.10417	3.0
160.11208	100.0
171.09206	0.9
172.11224	0.7
185.10768	4.2
202.24513	0.6
228.01619	0.5
274.18771	2.7
275.19937	1.9
277.15738	1.0
292.18045	55.0
292.22858	1.8
292.27383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55484	0.4
61.66240	0.4
62.08862	0.5
78.34482	0.4
79.05490	2.1
80.67425	0.4
85.40974	0.4
90.87982	0.5
92.04986	0.6
95.04944	0.6
104.95391	0.4
106.06557	37.4
107.07362	0.7
120.08103	4.0
133.07623	3.7
136.68657	0.5
145.08835	4.4
158.09651	2.0
159.10426	2.1
160.11200	100.0
166.54308	0.6
171.09151	1.1
172.11194	0.9
185.10718	2.1
277.15619	0.8
292.18048	44.7
292.22934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2265
Annotation	senecionan
Peak:m/z	Relative Intensity
52.29383	0.8
53.11312	0.8
55.01873	2.0
55.05511	6.4
56.05031	6.4
56.05273	0.8
56.11235	0.9
57.03461	0.8
57.05389	1.0
57.06821	1.8
57.07081	28.3
57.36028	0.7
58.06593	4.2
58.07405	0.9
59.06923	1.5
67.05515	7.1
69.07096	1.6
71.08620	2.0
72.08970	1.1
73.70599	0.9
74.06071	7.2
75.06414	2.2
79.05497	5.0
81.03418	5.2
81.07057	7.7
83.04976	1.5
83.08623	4.0
84.08136	1.5
88.07632	9.3
89.07955	4.2
90.08041	1.5
91.05460	2.2
93.07052	7.6
95.04974	11.3
95.08578	5.2
105.07018	5.0
105.89464	1.0
107.04949	7.5
107.08596	9.4
109.06503	4.1
109.10167	3.6
111.08070	1.8
112.57312	1.1
117.07010	1.7
118.08620	1.4
119.09029	1.2
120.09022	1.2
121.06519	1.1
121.10175	2.0
122.08139	1.6
126.09162	4.1
127.11193	6.7
128.10692	1.1
131.08557	6.3
133.06511	4.5
135.08069	1.6
135.11725	1.4
138.09190	1.0
138.13852	1.0
139.07550	1.9
145.10037	1.2
147.08032	1.5
149.09601	23.3
150.09163	1.7
156.10126	1.9
159.11659	1.7
163.11130	4.5
166.12299	4.5
173.09576	1.1
177.12666	6.7
179.10469	1.1
179.14296	24.6
191.10658	1.7
194.15413	1.2
215.17764	1.4
231.17416	1.6
242.24806	9.6
243.25092	5.1
244.25449	47.7
247.20595	7.8
257.18906	1.4
274.26511	1.5
275.20041	37.6
276.67697	0.9
292.22668	21.3
292.27463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
55.05507	23.8
57.03433	6.3
57.07079	23.0
63.72127	5.4
67.05498	32.8
69.03429	19.4
69.07059	11.5
71.08612	4.9
79.05480	28.8
81.03384	7.4
81.07050	46.8
83.08609	12.7
85.06541	11.1
86.06031	4.6
88.01414	5.0
91.05504	21.2
93.07040	34.5
95.04954	23.8
95.08588	35.1
97.06550	8.1
97.10210	10.1
105.07036	30.5
106.07401	4.9
107.04933	10.9
107.08585	59.1
109.06526	7.5
109.10159	23.2
111.08011	5.0
114.06062	6.1
119.08566	12.0
121.06522	9.8
121.10108	9.5
123.08051	9.9
125.09532	5.3
125.67554	4.9
131.08611	18.7
133.10107	22.1
135.08034	23.1
135.11711	8.8
137.09595	33.3
145.10149	23.5
147.11693	7.8
149.09624	30.1
149.13365	5.5
151.11169	11.0
159.11676	8.7
163.11218	9.2
170.11771	33.5
173.13315	8.0
175.11205	7.1
179.14322	8.1
184.76448	6.0
191.14258	10.3
208.16972	5.6
257.18997	21.6
268.63889	5.8
274.18787	10.5
274.21460	5.7
275.20035	100.0
292.09735	24.4
292.19672	20.0
292.22766	78.1
311.77826	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.5
55.05516	25.6
57.03432	4.4
57.06820	3.9
57.07083	60.0
67.05510	31.6
69.07065	15.0
71.08626	7.7
79.05492	22.4
81.03416	18.4
81.07062	44.1
83.08615	21.9
85.10207	28.4
87.55138	3.7
91.05461	15.5
93.07040	18.0
95.04975	52.6
95.08605	45.9
97.06525	5.4
97.10146	6.9
105.07036	25.7
107.04945	17.2
107.08598	30.1
109.06542	5.0
109.10154	8.5
111.07993	5.3
113.09649	19.9
117.06992	4.7
119.08554	9.0
121.06516	7.1
121.10137	18.4
123.08046	7.2
125.09673	5.9
126.09151	6.7
127.11198	9.9
131.08559	25.3
133.06433	4.6
133.10098	5.2
133.93443	3.7
135.08029	5.7
135.11684	20.7
145.10146	22.2
147.08052	18.0
147.11809	4.7
149.09622	56.4
163.11165	45.1
165.12730	49.8
169.10214	5.7
170.11772	16.9
177.12712	9.6
179.10754	4.4
179.14307	44.2
180.13838	6.6
183.17470	5.5
186.05321	4.8
191.14281	5.2
230.30577	4.1
231.17412	5.3
247.20622	22.0
251.23645	25.2
257.18997	9.2
275.20093	100.0
292.09589	9.8
292.19836	6.1
292.22723	51.6
292.26086	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33339	2.4
55.01876	2.3
55.05519	12.5
57.07074	11.2
58.02964	15.4
62.97821	3.1
67.05507	55.6
69.03424	2.2
69.07062	16.7
69.31322	2.5
73.73092	2.3
79.05486	14.2
81.07059	76.3
83.05006	2.6
83.08630	6.1
88.36432	2.5
91.05491	5.1
93.07068	19.3
95.08612	65.2
97.10178	5.5
99.08068	3.6
100.07636	14.3
105.07011	4.0
107.04955	2.6
107.08591	14.1
109.06501	3.0
109.10166	50.9
114.09151	5.0
114.99484	3.1
115.14405	2.5
119.08582	10.3
121.10126	15.3
123.08088	3.1
123.11692	15.9
128.10701	12.2
131.08615	6.2
133.10100	3.9
135.08055	4.4
135.11690	11.9
137.13249	6.4
142.12289	6.5
145.10106	4.0
145.68437	2.6
147.11664	4.5
149.13235	5.0
151.14795	2.8
154.12215	3.1
156.13838	6.4
159.11711	9.5
163.14851	5.3
170.15331	4.5
177.12724	3.1
177.16451	3.1
182.15384	3.2
184.16898	3.9
198.18498	3.3
208.16959	2.9
210.18596	3.3
233.78203	2.7
243.20959	6.1
261.22131	14.1
274.18668	3.8
275.20047	5.7
292.09726	26.7
292.19760	10.5
292.22836	10.8
292.26279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05516	1.4
56.05043	7.0
57.05365	2.7
57.07079	11.1
58.06614	6.6
58.07400	0.7
59.06931	1.0
59.98761	0.5
60.04530	1.0
67.05516	0.9
69.07067	0.7
71.08628	3.2
72.05602	0.6
72.06039	0.6
72.08962	0.7
73.73931	0.6
74.06080	6.2
75.06403	3.2
76.06489	0.8
79.05489	2.8
79.70317	0.5
81.03397	1.1
81.07053	1.3
83.08580	0.7
84.08132	1.1
84.54075	0.6
85.10197	0.7
88.07629	10.5
89.07419	0.6
89.07953	3.5
90.08015	0.6
91.23376	0.7
93.07016	2.7
95.04957	5.1
95.08618	0.9
97.10143	0.9
105.06995	0.9
107.04952	1.5
107.08590	2.7
109.06507	0.9
109.10202	0.8
110.21870	0.8
111.08092	0.7
118.08672	2.7
119.09023	1.5
120.09129	0.8
121.06518	0.7
121.10154	0.7
122.08142	3.3
124.08597	1.3
126.09117	0.8
127.11176	1.2
131.08553	1.2
131.12917	0.6
140.79018	0.6
145.10069	0.8
149.09610	8.1
156.10300	0.7
163.11153	0.7
177.12700	2.4
179.14288	6.6
202.06625	0.7
234.67038	0.7
242.24739	11.9
243.25165	5.9
244.25409	45.0
247.20470	2.7
256.28333	0.6
274.26193	1.0
275.20032	11.0
284.86398	0.7
292.22827	10.0
292.27490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	4.2
77.13988	0.3
84.41864	0.3
98.97586	82.9
99.12312	0.3
101.00835	0.3
116.98623	46.6
119.01931	1.3
134.99666	16.8
137.02960	0.5
140.00192	0.4
140.26407	0.3
145.03416	0.5
153.00711	1.6
169.03447	2.7
172.94376	2.2
173.84444	0.3
177.00896	0.3
179.35452	0.3
185.03043	0.6
187.04463	3.3
190.95459	2.3
192.20364	0.3
197.94983	0.3
203.02411	0.4
208.96472	0.4
214.95393	4.3
219.01768	0.3
221.03168	0.5
229.05568	1.9
230.98680	0.3
232.96460	9.5
246.99254	0.3
247.01358	2.4
247.06584	0.5
250.97502	4.9
256.96408	20.7
274.97498	100.0
275.05963	5.5
292.98557	76.2
293.05374	0.5
293.07431	0.6
297.99106	0.7
310.99591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18784	1.8
55.85383	3.0
55.92977	2.0
60.79210	2.2
68.41939	2.4
72.42867	2.1
86.56853	2.3
112.27856	2.6
117.30570	2.2
119.01916	3.5
151.74886	2.4
161.29987	2.6
169.03459	5.7
187.04526	4.7
266.83530	2.6
275.05954	9.6
293.06311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63982	2.6
53.80650	2.6
58.25441	2.6
80.40621	2.9
84.97753	3.0
92.21515	4.2
209.04552	3.4
267.26239	3.6
293.06311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47366	2.2
81.63661	2.3
98.20501	2.6
114.05522	3.5
143.01830	4.2
160.69095	2.9
161.02942	4.3
187.04506	3.8
275.06210	3.3
282.74619	2.6
293.06308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32750	0.3
53.34113	0.3
67.05514	0.7
68.28239	0.5
69.10388	0.3
87.83385	0.4
87.90215	0.4
95.04949	0.9
99.70177	0.5
101.00861	3.4
109.01337	0.5
114.10264	0.5
119.01916	21.9
121.02873	2.7
127.02417	0.9
137.02977	5.8
139.03870	0.4
143.01909	2.1
145.03474	9.0
157.03479	1.8
159.04988	1.0
161.02969	3.7
163.04424	0.7
167.01842	0.8
169.03456	35.1
171.01413	1.0
171.05008	5.0
175.04453	1.5
185.01433	0.8
185.02954	17.2
185.06581	0.7
187.04518	49.1
189.02425	1.8
189.06044	0.8
195.04999	4.7
197.02950	6.9
203.02361	1.6
203.04045	3.8
205.05545	7.5
211.04524	3.5
213.02473	1.9
213.06039	3.7
215.03995	12.8
221.03069	5.9
229.05577	24.9
231.03526	3.3
239.04059	3.0
240.57031	0.4
247.06595	11.9
249.04552	0.7
257.04990	4.8
275.06104	100.0
292.93277	0.5
293.03656	0.9
293.07047	20.5
293.18182	1.0
302.04156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.5
58.06594	0.5
70.02940	2.6
70.06577	0.8
71.70873	0.6
72.04498	0.6
72.20015	0.6
75.30640	0.5
80.04993	0.9
84.60416	0.5
87.05101	1.0
87.05595	21.7
88.03983	0.6
105.07049	0.7
116.03386	0.9
131.04985	0.7
133.06082	9.1
137.05962	1.2
146.03645	6.5
147.97583	0.6
149.88733	0.6
158.05991	2.6
160.06102	0.6
161.05968	100.0
163.07524	2.2
170.06021	1.0
172.07524	0.7
178.08553	2.4
179.07028	3.1
188.07051	11.6
190.08646	4.9
202.08586	2.7
204.10197	7.9
216.06558	2.2
230.08130	4.0
234.07631	4.9
247.10733	1.0
248.09169	1.0
249.12405	0.9
276.08734	2.6
293.11295	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59586	0.6
55.95190	0.6
58.06596	0.6
58.80365	0.6
60.05637	0.8
62.40415	0.6
68.79865	0.6
70.06628	0.6
72.08154	7.2
86.09698	0.9
89.10764	1.0
97.07661	0.7
98.06109	0.7
114.10288	24.6
115.08665	3.7
131.12903	1.6
135.04443	1.6
145.02869	1.6
163.03888	100.0
178.08810	0.7
233.12773	6.7
234.11212	9.8
251.13783	0.8
276.13467	5.4
293.06073	1.2
293.09131	13.6
293.16061	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25560	0.6
70.22426	0.7
72.08170	5.8
97.07632	1.0
102.80448	0.7
114.10303	20.5
115.08695	4.1
131.12929	1.5
145.02843	3.1
163.03899	100.0
233.12843	7.2
234.09177	1.0
234.11205	8.1
276.13409	7.3
293.16071	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1746
Annotation	Salinipyrone B
Peak:m/z	Relative Intensity
52.88868	4.0
55.05507	26.4
57.03431	6.2
57.07064	7.0
57.80309	4.9
60.24054	3.6
61.78113	4.0
67.05515	43.1
69.03448	6.5
69.07076	67.6
71.05011	8.9
72.26112	4.3
74.30140	4.5
79.05485	46.7
81.07066	49.8
83.04993	32.8
83.08640	9.1
85.06550	7.6
91.05504	21.8
93.07049	67.8
94.26199	4.6
95.04976	8.1
95.08610	46.6
97.06526	33.1
97.10172	6.6
105.00177	4.3
105.07035	28.0
107.08601	68.4
107.19387	4.5
109.06499	9.7
109.10162	25.2
111.04468	19.5
111.08089	8.0
113.05997	36.7
119.08593	21.9
121.10128	25.0
123.08059	6.6
125.06034	34.7
127.03974	5.7
131.08578	8.9
133.10141	37.0
135.08080	10.6
135.11694	100.0
136.67482	4.7
137.06000	46.3
137.09572	6.3
139.03902	45.6
141.05493	8.4
145.10121	23.8
147.11717	9.1
149.09637	23.2
149.13274	6.9
151.11194	6.8
153.05505	20.0
153.12727	25.0
155.07024	4.7
157.70944	5.0
159.11670	7.2
163.07597	5.6
163.11133	9.5
171.11864	5.1
177.09105	19.2
201.16475	8.0
201.65031	4.8
219.17316	7.7
229.15872	6.4
247.16927	19.5
257.19116	5.2
265.18015	32.8
275.16428	18.2
275.20084	43.2
276.20306	5.2
293.17447	83.4
293.21027	36.6
311.18488	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
55.16257	0.9
62.80989	0.9
64.33224	0.7
67.05486	5.5
69.03419	1.1
69.07053	1.7
79.05476	4.0
80.87247	0.7
81.07084	7.8
83.04947	1.1
83.08623	1.4
91.05454	3.8
93.07038	4.7
95.04973	1.5
95.08621	6.0
97.10155	1.9
105.07011	3.8
107.08617	9.4
109.06525	3.4
109.10119	3.6
117.07047	1.1
119.08570	4.1
121.10127	2.0
123.08028	5.5
125.09583	2.0
129.06984	1.8
129.51945	0.9
131.08577	1.6
133.10121	1.9
135.08043	1.0
138.78584	0.8
142.07765	5.4
143.08524	1.4
145.10133	2.0
147.11659	1.3
149.09554	4.8
151.11099	1.0
152.21655	0.9
155.08531	1.0
157.10132	100.0
159.11642	1.7
171.11627	4.0
173.18597	0.8
183.11649	1.1
257.18979	1.8
275.20145	12.9
293.18909	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03452	1.7
55.05516	4.0
56.97465	1.6
57.03422	2.6
67.05517	14.4
69.03413	2.2
69.07056	4.8
71.04987	4.6
79.05495	13.7
81.07042	23.0
81.09591	1.8
83.08601	4.1
91.05502	14.0
93.07065	17.5
95.04923	8.6
95.08611	21.6
97.06494	3.6
97.80665	1.8
105.07055	14.1
107.08624	15.5
109.06490	4.5
109.10111	8.1
111.08064	4.5
111.25006	1.8
117.06987	8.2
119.08610	14.4
121.10105	7.9
123.08043	3.9
131.08517	8.4
133.10083	12.1
135.08043	3.4
135.11693	4.1
137.09583	4.1
143.08539	2.2
145.10080	8.9
147.08046	2.7
147.11617	8.8
149.09575	4.2
151.11131	3.0
157.08986	3.1
157.10135	61.1
159.11632	8.3
161.13084	2.5
171.11597	3.5
173.13196	3.2
177.12718	2.5
183.11655	4.0
185.09444	3.0
193.10078	4.4
195.11583	2.9
201.25607	1.9
205.15912	2.9
207.11609	2.5
209.13130	4.5
235.14696	8.1
239.17766	2.3
247.20313	2.4
249.16214	7.5
250.16968	2.7
251.14006	2.8
251.17827	9.5
257.18896	4.6
275.20111	40.1
278.16525	3.6
289.28775	2.1
293.18805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24883	1.2
55.05489	2.7
57.03424	3.7
60.02110	1.2
61.03994	1.3
67.05510	12.6
69.03417	2.3
69.07058	7.7
71.04984	2.3
72.77372	1.4
76.70842	1.3
79.05499	16.2
81.07069	19.7
83.08615	1.8
85.06519	1.8
91.05479	14.6
92.13692	1.4
93.07061	15.5
93.54462	1.6
95.04937	5.9
95.08598	14.9
95.60651	1.4
97.06485	2.1
103.74178	1.4
105.04575	1.7
105.07018	14.4
107.04904	2.0
107.08591	15.0
109.06507	5.3
109.10135	2.8
111.08065	3.0
117.06994	3.7
119.08569	11.1
121.10104	10.4
123.08012	7.1
129.06952	2.4
131.08522	10.4
133.10075	5.8
135.08051	3.0
135.11705	1.7
137.09579	2.0
142.07777	2.7
143.08511	7.4
145.10085	12.0
147.11641	7.1
149.09570	6.3
157.10120	45.0
159.11627	8.2
161.13269	1.9
163.11073	1.6
166.99739	1.7
169.10150	2.6
171.11615	6.3
173.13229	2.8
183.11694	3.4
185.09541	2.0
193.10066	6.8
195.11586	6.5
197.09517	2.2
199.11163	2.7
201.16396	1.6
205.15831	2.7
207.11682	5.9
209.13145	2.3
221.13124	2.7
223.14760	2.8
235.14830	12.2
237.12584	6.1
249.16223	6.5
249.31822	1.9
250.17043	6.3
251.14418	1.7
251.17740	3.7
257.18927	3.1
275.20114	28.2
278.16537	6.6
293.18845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01875	3.8
55.05524	25.6
57.03429	9.2
57.07082	3.6
67.05499	32.4
69.03418	3.8
69.07058	22.9
71.04980	5.8
79.05505	33.4
80.61658	2.2
81.03434	3.2
81.07063	59.5
83.04990	6.2
83.08622	16.2
85.06544	10.8
91.05470	26.4
93.07049	38.7
95.04987	21.4
95.08619	38.2
97.06528	14.6
97.10174	11.8
99.08088	3.2
105.07024	36.1
107.04923	4.7
107.07928	3.8
107.08598	51.5
109.06522	18.4
109.10166	19.5
111.08084	12.4
117.07015	14.8
119.08598	34.3
121.06561	5.5
121.10163	26.0
123.08096	10.7
123.11724	5.9
125.09653	5.9
129.06987	2.8
129.71025	3.2
131.08566	14.8
133.10123	32.6
135.08040	5.3
135.11687	14.8
137.09613	14.3
137.48776	2.8
145.10107	25.5
147.08026	3.8
147.11671	23.9
149.09624	17.9
149.13342	4.1
151.11159	10.7
157.10117	19.3
159.11662	17.2
161.09573	3.3
161.13255	10.7
163.11133	13.8
169.10104	2.9
171.11612	3.9
173.13237	12.6
175.14832	3.1
177.12773	4.0
183.11836	3.2
185.13182	5.0
189.11163	3.9
203.14352	3.1
205.15846	5.9
213.30666	2.5
218.35565	2.8
219.17540	4.9
239.17844	3.4
247.20540	3.5
257.18982	5.4
275.20035	100.0
278.16632	3.7
293.18616	18.0
293.21564	36.6
303.17993	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.09158	2.2
51.12192	2.2
54.06299	1.9
55.01881	3.7
55.05521	26.8
55.73200	2.2
57.03438	13.9
57.07059	3.4
67.05507	60.6
69.03445	5.7
69.07072	87.2
71.04984	13.0
78.38296	2.3
79.05501	53.3
80.78648	2.1
81.07062	63.6
83.04984	19.9
83.08614	26.4
85.06542	5.4
91.05483	28.5
93.07041	81.5
95.04971	15.9
95.08599	42.4
97.06534	38.8
97.10161	4.7
99.04474	6.0
102.13154	2.4
105.07054	33.0
107.04975	5.4
107.08596	68.7
109.06515	20.9
109.10182	22.1
111.04432	13.2
111.08067	18.1
113.06010	31.4
117.07001	11.5
119.08568	25.0
121.06496	4.1
121.10149	29.7
123.08069	11.8
123.11709	4.0
125.05994	35.4
125.09612	5.1
127.03923	11.3
131.08557	20.5
133.10127	35.4
135.08072	18.7
135.11691	100.0
135.12688	5.0
136.74434	2.6
137.05983	45.5
137.09621	4.1
139.03902	42.5
139.07571	3.1
141.05470	16.1
143.08568	3.1
145.10159	28.1
147.11676	20.5
149.09634	17.7
151.07501	4.4
151.11217	10.9
152.65930	2.9
153.05487	24.5
153.12727	30.2
159.11674	15.5
161.09625	4.5
163.07553	13.1
163.11183	14.6
165.09096	4.5
168.00941	2.6
169.10095	3.2
173.09608	5.5
173.13277	3.6
177.09126	12.1
177.12622	4.6
179.10645	3.0
185.13242	3.9
191.10698	6.0
201.16385	10.7
205.15968	4.6
209.19066	5.1
219.17424	11.2
223.13281	4.6
229.15889	16.7
237.18463	2.7
239.14459	3.4
247.16930	13.2
257.15332	9.9
257.18979	5.4
265.17947	32.6
275.16483	18.1
275.20016	54.8
276.20367	4.8
293.17453	76.8
293.21094	48.9
311.18439	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01883	7.4
55.05527	25.2
57.03441	21.3
67.05517	40.2
69.03416	3.5
69.07081	23.6
71.04990	6.1
71.09400	3.2
78.40878	2.9
79.05507	52.7
81.07066	78.0
83.05009	5.9
83.08630	16.5
85.06569	4.1
91.05491	37.2
93.07045	53.7
95.04963	16.0
95.08612	51.8
97.06519	7.0
97.10188	6.0
99.08107	3.1
105.07053	45.8
107.04963	6.2
107.08598	53.5
109.06535	62.7
109.10178	24.3
111.08092	13.4
117.07019	7.3
119.08584	45.0
121.10176	35.2
123.08059	21.6
123.11740	6.0
131.08591	21.6
133.10152	30.2
135.08008	4.6
135.11711	25.8
137.09653	6.8
143.08568	6.2
145.10124	21.0
147.11711	26.4
149.09628	19.0
151.11174	5.3
152.13292	3.2
157.10133	5.3
159.11681	14.0
161.13239	13.0
161.28049	3.2
163.11168	12.7
165.12656	4.4
173.13194	3.7
185.13301	5.4
201.16536	4.7
219.17487	30.5
229.19646	3.6
239.18036	4.7
257.19019	5.7
275.20023	94.0
293.18051	6.0
293.21094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01873	3.4
55.05521	28.1
55.56855	2.5
57.03432	3.9
67.05508	47.4
69.07079	27.5
71.05005	4.9
76.53425	2.9
79.05482	37.7
81.03433	5.5
81.07066	52.1
83.04983	15.5
83.08629	17.2
91.05495	29.9
93.07049	36.6
95.04971	30.2
95.08611	42.7
97.06529	13.7
97.10176	19.5
105.07043	34.7
105.72096	2.8
107.04934	5.2
107.08596	54.7
109.06506	15.1
109.10159	31.1
111.08086	3.1
117.07027	6.4
119.08583	40.6
121.06577	3.4
121.10119	25.4
123.08043	13.6
123.11712	5.1
125.09688	14.5
131.08516	19.9
132.58607	3.1
133.09256	4.2
133.10109	29.4
135.08052	3.8
135.11678	6.4
137.09596	14.5
143.08586	5.3
145.10132	20.9
147.11647	21.0
149.09612	22.0
149.13225	5.3
151.11188	4.0
157.10080	3.5
159.11699	13.3
161.09721	3.5
161.13254	4.3
163.11136	13.1
171.11667	3.4
173.13243	6.0
189.11252	5.0
223.13298	6.8
229.07503	3.8
237.14940	3.6
257.19061	14.7
275.20044	100.0
293.21033	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	1.6
53.42787	1.6
55.01878	6.8
55.05513	11.7
57.03422	1.7
60.28459	1.3
61.54787	1.5
67.05506	37.3
69.03436	1.7
69.07070	19.0
71.04996	2.5
74.77175	1.8
79.05499	24.8
81.03423	1.9
81.07065	45.0
83.04981	3.4
83.08624	10.9
86.74740	1.5
91.05462	20.8
93.07046	26.9
95.04977	14.9
95.08603	26.3
97.06532	9.4
97.10170	8.4
105.07015	25.8
107.04925	4.1
107.08595	29.9
109.06501	16.0
109.10143	14.7
111.08031	2.2
117.07003	7.7
119.08577	21.2
121.06472	4.1
121.10141	18.1
123.08047	8.3
123.11661	3.6
125.09638	4.2
131.08551	12.2
133.10095	21.7
135.08040	4.0
135.11699	10.7
137.09612	6.4
145.10074	12.6
147.11699	18.4
149.09621	14.0
149.13297	2.3
151.11194	3.6
157.10094	2.1
159.11688	10.9
161.09578	2.4
161.13226	6.8
163.11203	10.1
169.10193	3.1
171.11783	2.5
173.13174	3.0
177.12811	2.8
187.15056	2.1
189.11198	3.2
201.16411	1.8
207.13715	1.8
219.17354	3.6
229.19540	1.9
235.87291	1.8
247.20554	9.6
257.19052	8.2
265.21756	2.0
275.20044	100.0
293.21121	35.8
302.19455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01873	1.9
55.05517	11.6
57.03441	19.0
67.05518	22.5
69.03443	2.5
69.07074	14.5
71.04995	3.6
75.91177	1.7
79.05499	34.7
81.07072	34.7
83.08617	18.4
85.06561	10.7
91.05472	21.3
92.20863	3.6
93.07048	48.6
95.04979	15.5
95.08611	25.6
97.06539	10.8
97.10159	9.5
98.04626	2.0
99.08080	2.5
105.07040	36.9
105.86851	1.7
107.04991	3.6
107.07928	3.4
107.08604	57.5
108.64388	1.9
109.06530	12.6
109.10154	9.3
111.05568	1.6
111.08157	2.8
117.07032	10.0
119.08572	24.1
121.10175	19.9
123.08102	3.3
125.09607	4.1
129.07034	2.1
131.08569	14.3
133.10118	22.0
135.08064	2.4
135.11670	9.3
137.09663	3.8
139.69534	1.9
143.08603	4.3
145.10118	20.0
147.11711	22.6
149.09622	15.8
151.11249	3.4
155.08534	2.6
159.11685	20.3
161.13217	13.7
163.11143	4.3
171.11722	2.5
173.13246	8.9
183.11758	3.6
185.13232	22.5
187.68977	1.9
189.11288	3.1
191.14301	1.9
197.13370	2.5
201.16425	7.4
203.14359	12.1
219.17416	33.3
221.15385	15.3
236.26285	2.1
239.17941	4.7
257.18893	15.0
275.17004	3.2
275.20050	100.0
293.21045	38.5
298.31592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.01875	13.0
55.05516	22.4
57.03434	19.6
61.27257	2.2
64.44164	2.2
64.86476	2.4
66.33770	2.5
67.05510	26.2
69.07078	12.6
71.05003	3.9
77.74000	2.3
79.05499	26.4
81.03424	3.3
81.07066	46.8
82.18960	3.1
83.08627	5.9
83.68856	2.3
85.06543	3.3
91.05478	26.0
93.07057	34.5
95.04978	15.5
95.08611	51.8
97.06525	6.1
97.10168	5.9
105.07028	28.6
107.04952	4.4
107.08601	29.1
109.06514	14.7
109.10146	20.4
111.08027	2.9
117.07035	6.3
119.08593	26.9
121.10126	13.5
123.08088	4.1
123.11680	2.6
125.09624	11.7
127.45599	2.4
131.08566	19.6
133.10118	23.6
135.08063	5.9
135.11687	6.4
137.09642	6.7
140.42114	2.8
145.10130	13.0
147.11728	18.2
149.09576	12.4
149.13260	3.1
151.11215	5.8
159.11737	11.7
161.13277	3.4
163.11205	3.5
173.13235	3.3
177.12730	4.2
201.16373	5.3
219.17422	100.0
226.23378	2.6
229.19675	3.5
242.33264	2.9
247.20612	6.0
257.19073	5.5
275.20044	58.9
293.10458	2.8
293.21152	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01875	23.7
55.05517	28.1
57.03441	3.8
59.36504	2.1
60.78238	1.8
61.90048	2.0
65.73875	2.1
67.05514	33.5
69.07071	19.6
71.04993	3.0
71.08607	2.0
74.04723	2.1
77.31414	1.8
79.05497	55.5
81.07053	38.0
83.04987	11.7
83.08636	19.5
85.06556	3.0
88.75880	2.1
91.05470	25.6
93.07047	60.4
95.04975	15.1
95.08622	27.8
97.06539	12.6
97.10158	17.7
105.07036	28.9
107.04964	22.8
107.08587	42.5
109.06517	9.4
109.10160	14.8
111.08077	34.0
117.07008	8.8
119.08591	26.2
121.06500	2.7
121.10140	28.7
123.08014	3.9
123.11694	4.5
125.09644	13.5
128.77832	2.4
131.08556	12.5
133.10132	25.1
135.08047	8.3
135.11700	5.0
137.09602	2.5
143.18056	2.5
145.10124	10.4
147.11682	18.4
149.09637	40.6
149.13280	2.1
151.11250	2.6
159.11679	5.4
161.13272	3.6
163.11142	4.7
173.13216	7.7
177.12744	4.2
181.61784	2.2
187.50693	2.1
189.11217	8.8
215.18069	2.2
219.17413	10.2
220.70003	2.1
229.19527	3.7
236.10760	2.2
257.19046	9.7
270.51996	2.3
275.20047	100.0
293.10059	12.8
293.21094	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.09900	1.2
52.23396	1.6
53.90937	1.4
55.01873	8.5
55.05521	13.9
57.03435	1.9
57.07071	3.1
57.52921	1.5
59.49377	1.4
66.05768	1.7
67.05505	25.0
69.03439	1.8
69.07068	13.4
71.04960	1.9
71.08623	8.8
75.27853	1.5
79.05499	16.4
81.03403	9.1
81.07063	24.6
83.04960	6.5
83.08610	9.1
85.02877	1.9
85.06506	2.8
91.05473	10.1
93.07048	20.7
95.04961	52.4
95.08611	35.0
97.06517	3.8
97.10158	3.3
99.08076	7.1
105.07034	14.2
107.04935	9.6
107.08598	16.6
109.06492	8.6
109.10165	11.4
111.08064	8.9
117.07002	3.2
119.08583	14.4
121.06499	2.2
121.10123	12.4
123.08076	12.4
123.68114	2.4
125.09647	2.2
131.08525	6.8
133.10094	13.6
135.08067	7.6
135.11708	6.6
137.09587	11.4
141.09055	2.9
145.10081	8.3
147.11636	3.7
149.09587	13.1
149.13275	2.1
151.10089	2.9
151.11195	55.0
152.11543	2.7
155.08649	1.6
155.10645	13.5
155.12646	1.7
159.11667	8.3
161.09631	7.1
163.11179	15.1
165.12744	2.8
173.13301	2.5
177.12688	10.0
179.10637	2.3
191.14316	2.1
223.13298	11.3
252.22981	2.0
270.23145	2.0
275.20026	32.3
276.20322	8.7
293.21039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.51078	1.4
55.01876	1.4
55.05516	4.0
56.19410	1.8
57.03447	3.1
58.51406	1.6
60.53788	1.4
67.05511	14.6
69.03427	10.3
69.07059	9.0
70.06180	1.5
71.05003	3.2
74.34401	1.6
79.05486	17.2
81.03377	2.4
81.07056	26.1
83.04967	2.2
83.08636	7.9
84.87218	1.8
85.06590	1.6
86.97256	1.7
91.05497	15.3
93.07058	19.2
95.04967	4.3
95.08620	15.2
97.06579	2.9
97.10152	4.0
103.58933	2.0
105.05904	1.9
105.07016	13.2
107.04983	2.2
107.08587	15.7
109.06524	4.5
109.10130	8.3
111.08121	4.3
117.07032	3.6
119.08574	13.5
121.06438	2.2
121.10133	10.3
123.08051	4.1
125.09612	2.2
131.08562	10.1
133.10124	13.5
135.08090	2.2
135.11655	7.3
137.09607	2.5
145.10104	9.5
147.11708	7.9
151.11238	2.9
159.11707	3.2
163.11140	2.8
173.13225	3.3
177.12743	1.7
180.21048	1.9
199.14723	2.0
211.44830	1.8
239.17778	2.2
251.60718	2.3
257.18921	2.3
275.20099	30.4
293.21097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.01872	21.7
55.05514	26.0
57.70231	3.6
59.30277	3.6
59.65290	4.0
63.91988	3.5
67.05510	36.5
67.50862	4.1
69.07074	9.3
79.05499	60.8
81.07063	23.8
83.04985	18.9
83.08624	6.9
91.05476	9.3
93.07031	37.3
93.14066	5.3
95.04980	4.6
95.08608	9.7
97.06506	31.4
97.10152	17.9
105.06413	3.9
105.07044	27.9
107.04954	22.7
107.08589	51.4
109.10179	21.0
119.08586	25.4
121.10146	6.3
125.09615	22.6
131.08582	9.3
133.10135	21.8
135.08041	7.0
145.10172	5.7
147.11687	7.6
149.09621	83.1
159.11728	7.6
172.74600	4.6
189.11227	7.2
239.17958	4.9
247.20512	5.6
257.19006	10.6
275.20059	100.0
293.21170	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.91115	0.7
55.05515	1.0
57.07078	1.9
58.00607	0.7
67.05521	8.4
68.12899	0.8
69.07067	1.6
71.08643	8.7
78.67861	0.9
79.05487	4.0
81.03419	9.6
81.07066	6.7
85.06532	2.2
91.05457	5.5
93.07026	4.7
95.04965	15.7
95.08601	5.5
99.08093	3.9
99.85136	1.0
103.46089	0.7
105.07018	2.0
107.08607	3.7
109.06508	1.3
109.10128	1.3
111.08094	1.0
117.06991	1.1
119.08609	3.4
121.06497	1.0
121.10128	3.5
131.08549	1.2
133.10124	1.6
135.11707	1.1
137.09633	1.9
137.10643	0.9
141.57321	0.9
143.08598	1.0
149.09572	2.1
151.11177	100.0
159.11713	1.3
161.09590	1.1
163.11121	1.2
165.12737	3.7
177.12724	7.4
191.14194	1.1
195.08200	0.9
247.20474	0.9
257.19016	1.3
275.20065	6.0
293.21088	51.3
295.86487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.69009	2.1
52.15676	2.0
55.05511	10.2
57.03440	2.5
57.07076	2.9
67.05180	4.3
67.05511	84.3
69.07066	18.1
75.43112	2.3
77.67124	2.4
79.05492	12.6
81.07056	100.0
83.08614	13.2
91.05470	4.0
93.07018	19.9
95.04955	10.5
95.08598	85.7
97.06549	3.8
97.10160	3.6
105.07001	3.8
107.08602	4.3
109.10143	55.1
110.89188	2.7
112.77267	2.7
121.10137	12.2
123.11716	27.6
130.67476	2.8
131.08594	5.3
133.10112	4.2
135.11687	12.1
137.13231	5.5
145.10156	6.4
147.11658	5.7
149.13249	5.9
151.11179	4.0
159.11711	3.7
163.11241	3.7
164.37228	3.3
173.13171	3.4
177.12714	4.2
223.17113	3.5
243.21193	6.1
261.22095	11.7
275.19971	10.9
293.21097	31.7
293.24744	49.3
293.28192	3.1
293.29327	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01871	7.1
55.05519	19.0
55.47313	1.7
57.03437	4.5
57.07069	7.7
67.05509	72.4
69.07069	21.6
71.04971	2.6
71.08643	2.0
73.58177	1.9
79.05502	29.3
81.07063	100.0
83.04991	8.3
83.08610	17.4
85.06521	3.2
91.05474	16.3
91.06499	1.9
93.07045	37.6
95.04971	8.0
95.08000	3.5
95.08609	91.0
95.09200	4.1
97.06547	8.5
97.10160	16.3
99.08079	2.4
100.99777	1.9
105.07035	23.2
107.05012	2.7
107.08598	45.1
109.06524	11.3
109.10155	35.1
111.08082	3.3
111.11668	1.8
117.07018	8.2
119.08575	24.5
121.10155	22.7
121.12285	2.3
123.08099	4.6
123.11732	14.0
125.09657	10.4
127.87412	1.8
131.08580	14.5
133.05672	2.0
133.10130	13.3
135.08072	4.4
135.11734	15.5
137.09610	2.4
137.13295	8.9
139.11206	3.0
145.10114	13.3
147.11708	13.2
149.09645	10.7
149.13217	4.9
151.11208	3.0
151.14755	2.3
157.10078	2.3
159.08066	2.4
159.11720	10.1
161.09554	2.7
161.13228	3.8
163.11211	4.1
165.12752	2.4
173.13239	12.4
177.12810	4.7
187.14793	2.7
189.11249	4.9
191.14452	2.9
203.14333	2.0
209.15393	2.5
215.14462	2.0
217.85815	2.0
219.17426	11.9
239.17995	3.0
242.68646	2.0
243.21031	3.2
257.19003	8.6
261.22040	7.7
275.20090	42.6
287.99335	2.1
293.21146	33.5
293.24750	19.7
293.27695	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05509	5.1
56.83718	2.0
57.45448	1.8
63.35179	1.7
67.05183	3.8
67.05513	79.5
69.07063	9.9
72.91493	2.1
79.05502	13.4
81.07066	100.0
83.08638	9.5
85.06566	2.5
85.94739	2.0
91.05458	3.2
93.07053	11.5
95.08611	91.5
105.07086	3.2
107.08601	12.7
109.10160	34.6
113.56696	2.0
119.08598	2.6
121.10139	13.1
122.28706	2.3
123.11694	13.5
131.08553	4.2
133.10153	3.6
135.11688	7.8
137.09622	2.7
137.13263	11.8
145.10181	2.9
147.11702	5.3
149.13304	4.2
151.14828	3.1
159.11682	9.2
161.13268	3.9
163.11208	3.3
163.14792	2.4
165.16461	2.3
170.58493	2.1
173.13235	10.1
177.12796	2.8
187.29732	2.1
223.16942	2.7
243.21046	10.7
261.22064	11.5
293.24765	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50869	2.0
55.05514	9.2
57.07088	2.5
60.27103	2.0
67.05508	88.2
69.07064	13.9
71.62798	2.2
75.54519	1.8
79.05479	16.3
81.07061	100.0
83.08624	5.5
85.06540	2.4
89.07577	2.1
89.61240	1.9
91.05472	3.4
93.07040	27.5
95.04959	3.2
95.08607	89.6
97.10176	3.3
105.07043	5.3
107.08572	17.7
109.10155	42.8
119.08613	4.4
121.10146	13.3
123.08054	2.4
123.11657	16.0
124.33062	1.9
125.09682	2.1
131.08582	10.8
133.10107	9.4
135.11699	9.8
137.09605	3.9
137.13255	5.0
141.63200	2.1
147.11659	2.7
149.09561	3.3
149.13252	4.3
151.11188	2.9
151.14836	3.8
155.67601	2.4
157.41078	2.4
159.11681	4.9
161.09668	2.7
163.11223	4.4
163.14781	3.0
173.13228	4.1
191.14056	2.8
219.21153	2.9
229.07463	2.8
232.64148	2.8
243.21078	4.5
261.22086	13.1
275.20102	11.9
293.07104	2.2
293.21088	18.9
293.24777	35.5
293.27997	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86632	1.5
53.70832	2.0
55.01883	3.5
55.05516	11.8
56.39619	1.9
57.03434	2.3
57.07081	5.1
65.03939	1.9
67.05511	99.8
69.03395	2.5
69.07089	18.2
69.07385	2.4
70.06606	2.1
71.08626	5.0
74.37971	2.3
79.05491	23.0
81.03433	4.3
81.07066	100.0
83.08620	14.1
85.06545	5.1
91.05465	11.0
92.20902	2.2
93.07042	27.3
95.04981	32.6
95.08600	98.0
96.08133	3.0
97.06549	3.5
97.10151	2.5
99.08130	3.6
103.67667	2.1
105.07020	15.2
107.04971	2.3
107.08612	22.1
109.06544	3.8
109.10153	37.8
115.72025	1.9
119.08560	10.2
121.10152	19.3
123.08051	8.8
123.11683	17.7
125.97061	2.0
131.08595	11.4
133.10114	12.7
135.08051	4.3
135.11697	20.7
137.09663	3.9
137.13257	3.6
144.73250	2.2
145.10104	10.4
145.90627	2.1
147.11751	8.1
149.09645	11.4
149.13258	8.9
151.11188	39.1
159.11691	5.0
163.11182	9.5
163.14902	3.4
165.12706	3.3
167.41017	1.9
173.13258	5.0
175.98592	2.2
177.12761	7.5
187.11011	2.1
187.14879	2.2
223.13290	8.6
243.20984	10.4
261.22058	10.8
275.20001	11.9
276.23221	9.5
293.21094	69.7
293.25418	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.9
57.07078	15.4
67.05514	48.5
69.07072	49.5
71.08642	4.9
79.05510	8.1
81.07067	57.5
83.08627	45.5
91.05475	4.2
93.07034	19.0
95.05004	6.4
95.08604	59.4
97.10196	29.3
105.07051	4.3
107.08614	24.5
109.10142	28.1
111.11630	4.8
113.56537	4.0
121.10149	23.0
123.11723	15.2
135.11696	9.4
149.09668	5.1
149.13232	4.8
151.11121	7.7
216.62190	3.8
250.13063	4.4
275.20074	24.0
275.27283	9.0
293.21271	41.5
293.25070	8.1
293.28311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.22382	2.5
51.70924	2.4
55.05514	33.8
57.03478	2.9
57.07073	18.1
58.58341	2.8
67.05515	30.2
69.07072	55.6
71.08645	5.7
79.05500	7.4
81.07054	53.6
82.17091	2.9
82.63332	3.0
83.08616	47.4
91.05508	3.4
93.07038	18.7
95.08600	49.9
97.06609	3.4
97.10167	37.4
107.08595	14.0
109.10155	33.4
111.08088	6.1
111.11713	7.6
121.10129	28.7
123.08064	16.6
123.11706	5.5
125.09664	4.0
130.38837	3.2
133.10136	4.1
135.11697	18.2
137.13313	3.6
149.13245	12.5
183.02986	3.2
275.19977	11.2
275.27252	17.2
293.21320	34.5
293.24966	7.9
293.28339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0963
Annotation	Megistonine II
Peak:m/z	Relative Intensity
50.34509	0.6
56.99589	0.5
57.03415	0.7
65.48138	0.5
69.03400	1.2
73.02875	0.8
81.03398	1.3
84.08131	27.3
85.02895	9.1
86.09698	11.6
87.03172	1.0
88.03987	8.1
97.02879	2.4
98.09655	1.0
99.04436	1.2
101.10825	0.7
111.04427	0.6
113.02341	9.6
116.10684	0.9
120.08086	7.3
127.03897	2.5
128.10712	1.5
129.10240	4.6
130.04996	2.9
130.08589	1.5
131.03406	6.5
132.10214	6.1
136.82927	0.6
137.06004	0.8
138.05478	0.8
143.05820	0.8
144.10162	2.5
147.07646	2.5
161.06783	2.4
164.07027	42.2
164.10704	2.9
168.10190	0.9
177.07727	4.5
178.08546	1.2
190.08614	3.3
192.97830	0.6
201.07901	3.1
204.06612	0.9
210.11237	7.0
212.12798	3.7
219.08890	3.9
230.13838	20.6
248.14926	3.1
258.13327	11.2
259.07678	0.6
276.08603	6.6
276.14349	29.8
277.15546	1.2
294.09692	100.0
294.13248	6.7
294.18124	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1182
Annotation	N-Acetylmuramate
Peak:m/z	Relative Intensity
53.86865	0.7
56.99342	0.8
58.41339	0.8
68.02649	2.2
70.02964	1.1
70.06585	4.2
73.68478	0.9
77.89516	0.9
81.03423	1.8
83.05005	1.2
84.04510	1.1
86.06076	23.7
87.03943	1.7
87.04475	42.2
93.07047	2.0
96.04496	17.7
97.02882	2.4
98.06055	57.4
103.05482	2.3
111.04443	100.0
116.07086	4.8
121.06511	4.3
126.05559	1.2
128.07094	19.2
136.07552	2.1
140.19447	1.0
144.44536	1.1
152.07056	1.6
154.08611	1.4
156.06509	1.4
164.07050	20.0
168.10027	1.0
172.06038	8.8
180.06583	2.0
182.08128	25.0
196.09657	2.0
208.06091	4.0
223.69640	1.0
226.07103	1.7
240.08647	11.1
258.09708	35.9
258.12518	1.4
262.87015	1.1
276.10773	92.9
276.13989	3.2
294.11832	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68127	0.3
55.01878	0.5
56.05020	0.4
56.46503	0.3
56.47666	0.3
57.03449	0.8
59.03753	0.7
60.04564	0.4
68.02657	0.4
69.03437	5.9
69.07064	4.0
70.06600	1.4
71.04987	0.5
72.04537	0.5
73.02930	0.5
81.03446	1.6
84.08150	0.5
85.02900	8.3
86.06086	2.6
86.09708	44.5
87.03213	5.2
87.04454	5.8
88.03999	2.8
96.04491	3.6
96.08163	0.4
97.02898	7.0
97.05270	0.5
98.06056	9.6
98.09695	13.5
99.04436	3.2
100.04012	0.5
100.11269	1.4
109.02908	0.7
110.06005	0.5
111.04443	13.4
112.03957	2.5
116.07077	0.5
116.10734	6.1
116.44867	0.4
117.05521	0.5
124.07613	0.4
125.04865	0.4
126.05506	0.7
127.03912	10.4
128.07074	1.2
128.10716	6.5
129.10245	0.6
130.08614	0.4
132.10204	18.2
133.05101	0.4
136.07600	0.5
140.10707	1.3
143.05779	4.7
144.06573	0.8
144.10196	11.9
145.04930	2.1
152.07072	0.4
152.10748	0.7
156.06587	1.6
158.11809	0.7
161.06813	8.1
164.07108	3.0
164.10683	3.3
166.12285	0.5
168.10188	2.0
170.11783	2.0
172.06038	0.7
174.11328	0.5
182.08098	3.0
182.11719	0.5
194.11801	2.4
203.06941	0.3
204.56543	0.3
208.06026	0.4
210.11266	4.2
212.12817	18.9
221.81990	0.4
226.07285	0.3
230.13860	70.7
240.08725	1.5
240.12233	0.4
240.42250	0.3
248.14928	10.1
248.17345	0.7
258.09799	5.2
258.13339	29.1
276.10864	13.0
276.14380	100.0
294.08850	0.5
294.11807	9.3
294.15396	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	87.0
71.04996	2.0
71.61989	0.7
77.88683	0.7
80.25425	0.8
86.09086	0.8
86.09665	1.7
86.78957	0.7
95.04967	1.7
97.06552	1.0
99.04441	4.5
100.07624	0.8
107.04856	0.8
119.04939	8.6
121.06514	1.2
123.04422	18.6
127.23715	0.9
128.06233	1.0
128.07051	7.5
130.08641	81.5
147.04425	7.8
160.44685	0.8
164.07069	21.1
165.05449	8.5
177.07896	1.0
178.08635	1.2
230.13724	3.5
258.13333	1.6
262.10468	1.4
276.14594	5.7
294.09988	4.0
294.13330	100.0
294.16586	6.1
310.45020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1486
Annotation	Drazepinone
Peak:m/z	Relative Intensity
61.67344	0.2
75.29840	0.2
83.20277	0.2
92.18890	0.2
101.46236	0.2
103.06083	0.2
111.14892	0.2
118.93914	0.2
143.92410	0.2
168.37335	0.2
210.28719	0.2
216.71222	0.2
249.07851	0.4
264.10147	3.8
266.08109	0.3
279.12537	100.0
294.07687	1.2
294.10956	1.7
294.14862	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40714	0.2
55.01884	0.4
56.05038	0.2
57.03426	0.6
59.03739	1.1
66.50159	0.3
69.03437	7.1
69.07074	4.9
70.02969	0.3
71.04997	0.4
73.02907	1.2
79.63915	0.3
81.03412	1.3
82.06607	0.4
83.01334	0.3
83.04970	0.4
84.04503	0.5
84.08152	0.4
85.02908	7.2
86.06065	0.6
86.09709	49.8
87.03222	4.0
87.04453	1.2
88.03992	3.5
96.04496	1.3
97.02895	6.7
98.02891	0.3
98.06065	1.3
98.09698	15.0
99.04459	3.0
100.03978	0.4
100.11267	1.9
103.03965	0.5
103.43811	0.2
105.31279	0.3
109.02853	0.4
110.09633	0.4
111.04469	2.3
112.03968	2.8
114.05510	0.4
116.10735	6.9
126.05556	0.3
127.03916	11.1
128.06990	0.4
128.10727	6.5
132.10210	16.6
138.05516	1.0
140.10712	1.3
142.04988	0.3
143.05800	5.1
144.06537	1.3
144.10201	12.8
145.04988	2.3
147.43788	0.2
152.10750	0.4
156.06532	0.4
158.11723	0.4
161.05504	0.3
161.06828	8.8
164.10715	3.4
168.10208	2.2
170.11772	2.4
174.11237	0.6
182.08134	0.5
182.11786	1.0
186.11172	0.5
192.06375	0.3
194.11819	1.6
210.11247	4.0
212.12805	17.6
216.12376	0.3
230.13867	73.0
240.12253	0.3
248.14915	10.8
258.13354	31.6
270.27441	0.3
276.14407	100.0
294.11942	1.6
294.15433	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1547
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
53.82960	1.1
55.07478	1.0
59.47899	1.1
61.02945	1.2
69.03415	6.2
81.03395	3.0
85.02908	7.3
86.09715	28.1
87.03214	5.8
88.03993	53.9
97.02895	9.3
98.09693	5.8
99.04475	2.2
112.03947	3.3
116.10724	1.5
121.33186	1.4
127.03942	9.8
128.10727	6.1
132.10197	12.4
140.42769	1.3
143.05803	6.9
143.88658	1.5
144.10201	22.9
161.06839	9.8
164.10710	7.4
168.10187	1.7
210.11247	12.4
212.12810	18.8
230.13875	64.3
230.16159	2.4
248.14870	10.0
258.13342	43.5
275.64926	1.5
276.14398	100.0
294.15469	11.4
298.09421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	1.6
70.94132	1.2
81.03435	2.8
85.02892	6.2
86.09708	38.8
87.03200	7.1
88.03996	33.8
95.06073	26.2
97.02896	74.1
98.09676	2.2
112.03950	2.1
118.05019	1.6
127.03931	8.4
128.10710	5.8
132.10201	15.6
143.05742	7.3
144.10196	16.0
144.59477	1.6
161.06821	6.6
164.10732	8.7
173.07137	1.8
184.05986	1.8
191.08159	100.0
194.11792	2.4
207.07718	2.5
210.11288	13.1
212.12820	18.5
229.39780	1.7
230.13860	59.0
248.14941	3.6
250.15508	56.6
258.13318	39.9
260.14236	1.6
276.14386	100.0
294.09714	3.3
294.14612	30.3
311.33069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1699
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
51.02974	0.2
55.05516	1.9
67.05480	0.4
69.07061	2.3
71.04990	0.4
79.05489	0.4
81.07063	2.6
83.08620	1.9
86.09715	0.4
88.03994	0.3
91.05480	0.6
93.07025	0.4
95.08602	1.8
97.06534	0.4
99.99463	0.3
103.05464	1.7
107.08643	0.5
117.07028	1.1
119.04908	0.3
121.06514	2.3
123.04426	8.6
123.08048	0.7
131.04926	10.4
137.05981	7.3
143.04881	0.5
145.06494	5.8
147.04430	5.7
148.07613	0.6
149.05978	85.8
150.09077	0.4
151.07487	0.4
157.06514	2.2
158.11742	0.4
159.08038	1.6
161.05956	6.6
163.07530	24.3
164.07048	6.8
165.05461	19.6
166.08626	0.6
168.06659	0.4
171.08003	0.5
173.05971	4.0
175.07532	6.7
177.05360	0.3
177.09111	2.7
181.06502	0.5
185.09576	0.4
189.09109	1.4
195.11707	1.3
197.09605	0.4
199.07526	2.3
208.13396	0.3
213.12682	1.6
215.10719	1.6
223.11223	3.0
231.13792	2.8
232.09659	0.4
241.12221	8.0
248.12791	4.6
258.13361	0.4
259.13235	5.5
276.16306	2.5
277.14328	8.1
294.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1699
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
51.02974	0.2
55.05516	1.9
67.05480	0.4
69.07061	2.3
71.04990	0.4
79.05489	0.4
81.07063	2.6
83.08620	1.9
86.09715	0.4
88.03994	0.3
91.05480	0.6
93.07025	0.4
95.08602	1.8
97.06534	0.4
99.99463	0.3
103.05464	1.7
107.08643	0.5
117.07028	1.1
119.04908	0.3
121.06514	2.3
123.04426	8.6
123.08048	0.7
131.04926	10.4
137.05981	7.3
143.04881	0.5
145.06494	5.8
147.04430	5.7
148.07613	0.6
149.05978	85.8
150.09077	0.4
151.07487	0.4
157.06514	2.2
158.11742	0.4
159.08038	1.6
161.05956	6.6
163.07530	24.3
164.07048	6.8
165.05461	19.6
166.08626	0.6
168.06659	0.4
171.08003	0.5
173.05971	4.0
175.07532	6.7
177.05360	0.3
177.09111	2.7
181.06502	0.5
185.09576	0.4
189.09109	1.4
195.11707	1.3
197.09605	0.4
199.07526	2.3
208.13396	0.3
213.12682	1.6
215.10719	1.6
223.11223	3.0
231.13792	2.8
232.09659	0.4
241.12221	8.0
248.12791	4.6
258.13361	0.4
259.13235	5.5
276.16306	2.5
277.14328	8.1
294.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02974	0.2
55.05516	1.9
67.05480	0.4
69.07061	2.3
71.04990	0.4
79.05489	0.4
81.07063	2.6
83.08620	1.9
86.09715	0.4
88.03994	0.3
91.05480	0.6
93.07025	0.4
95.08602	1.8
97.06534	0.4
99.99463	0.3
103.05464	1.7
107.08643	0.5
117.07028	1.1
119.04908	0.3
121.06514	2.3
123.04426	8.6
123.08048	0.7
131.04926	10.4
137.05981	7.3
143.04881	0.5
145.06494	5.8
147.04430	5.7
148.07613	0.6
149.05978	85.8
150.09077	0.4
151.07487	0.4
157.06514	2.2
158.11742	0.4
159.08038	1.6
161.05956	6.6
163.07530	24.3
164.07048	6.8
165.05461	19.6
166.08626	0.6
168.06659	0.4
171.08003	0.5
173.05971	4.0
175.07532	6.7
177.05360	0.3
177.09111	2.7
181.06502	0.5
185.09576	0.4
189.09109	1.4
195.11707	1.3
197.09605	0.4
199.07526	2.3
208.13396	0.3
213.12682	1.6
215.10719	1.6
223.11223	3.0
231.13792	2.8
232.09659	0.4
241.12221	8.0
248.12791	4.6
258.13361	0.4
259.13235	5.5
276.16306	2.5
277.14328	8.1
294.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
55.05510	15.9
56.05854	3.0
57.03462	21.0
57.07070	4.5
62.37682	3.1
67.05167	4.5
67.05495	37.6
68.05850	13.4
69.03428	4.8
69.07062	15.9
70.07406	3.6
70.39213	2.3
71.05024	4.0
71.08616	3.2
79.05490	28.6
80.05822	14.7
81.03452	3.6
81.07061	49.3
82.07385	19.2
83.08614	11.3
85.06552	4.3
89.25074	2.9
91.04964	2.7
91.05455	24.2
92.05812	18.7
93.07047	45.0
94.07371	21.4
95.04981	13.4
95.08603	33.3
96.05296	3.4
96.08938	16.5
97.06530	6.8
97.10171	4.3
105.03225	3.6
105.07041	32.6
106.07351	19.6
107.08589	27.0
108.08910	15.1
109.06503	27.2
109.10169	16.5
110.06837	11.1
110.10476	5.0
111.08084	4.9
117.06986	6.7
118.07381	5.9
119.08554	28.6
120.08906	21.7
121.10136	19.1
122.10481	14.1
123.08051	6.9
124.08408	6.1
130.09869	3.3
131.08578	7.2
132.08865	9.6
133.10106	20.6
134.10445	17.9
135.11682	4.6
137.09572	7.4
138.09875	4.2
144.08891	4.3
145.10118	5.2
146.10472	6.3
147.11722	10.4
148.11978	16.9
149.09669	3.2
150.09918	4.4
151.11182	4.2
156.76263	3.1
158.10497	4.3
159.11613	6.1
160.12053	12.0
163.11139	4.0
164.11537	3.8
169.10071	3.0
174.13591	7.2
185.13193	3.8
186.13640	5.1
188.11478	3.1
202.16719	4.3
204.14598	4.7
219.17252	6.2
220.17830	24.1
222.15804	3.5
240.18236	4.7
255.51039	3.0
258.19293	14.7
276.20395	100.0
276.23184	6.2
277.21472	34.3
294.21423	62.5
294.24350	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85833	2.1
55.01887	2.6
55.05515	15.0
57.03442	20.2
57.07074	12.7
67.05513	41.4
69.03440	16.1
69.07068	15.3
71.04996	15.8
73.06486	2.0
79.05503	29.4
79.92650	2.0
81.07066	56.0
83.04989	20.6
83.08614	13.3
85.06558	18.7
91.05476	19.1
93.07042	55.6
95.04974	5.0
95.08607	52.2
96.05242	2.3
97.06536	11.2
97.10154	11.9
99.04439	2.4
99.08076	3.3
105.07082	21.6
107.08608	47.6
109.06524	5.0
109.10166	27.9
111.08099	15.3
117.07017	3.9
119.08591	25.8
121.10135	42.8
123.08060	14.2
123.11720	8.8
125.09635	3.4
131.08565	17.7
133.10136	29.8
135.11696	21.8
137.09599	10.0
139.11185	4.5
143.08618	2.2
145.10139	14.1
147.11685	22.0
149.13213	16.5
151.11195	15.5
159.11652	11.2
161.13228	14.6
171.11633	4.1
173.13255	5.2
175.14856	12.5
177.12849	3.1
179.14301	3.8
185.13260	4.8
187.14813	30.8
189.16389	3.2
193.15837	9.5
203.18001	2.9
205.15894	14.6
210.18576	2.4
212.16586	2.7
221.18967	9.5
222.18506	2.8
234.55060	2.5
238.21608	4.2
241.19507	10.7
259.20514	23.6
276.23199	5.1
277.21628	100.0
277.24472	4.8
279.44769	2.4
294.21399	11.6
294.24301	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41429	2.0
55.01882	19.5
55.05515	16.9
57.07078	17.4
61.22070	2.2
66.61900	2.2
67.05511	35.2
69.03398	3.2
69.07063	26.3
71.05015	5.0
71.08628	18.2
73.51566	2.3
78.27388	2.3
79.05495	24.7
81.03428	3.2
81.07064	53.4
82.07369	3.7
83.04970	6.2
83.08624	15.3
85.06550	13.0
91.05488	18.1
92.21535	3.2
93.07052	38.7
94.07432	2.9
95.04952	12.7
95.08600	43.7
97.06542	40.4
97.10165	15.1
99.08101	5.0
105.07043	21.0
107.08589	24.8
108.08888	3.5
109.06533	5.1
109.10176	14.3
110.06861	3.0
111.08047	4.8
117.07041	4.4
119.07835	2.8
119.08560	21.4
121.10145	31.1
123.08089	3.4
125.09583	5.1
131.08592	13.9
133.10159	22.1
135.08044	4.4
135.11714	17.1
137.09579	12.0
141.12796	2.8
145.10139	9.7
146.05699	3.0
146.10599	3.6
147.11696	26.2
149.09683	3.9
149.13278	11.5
151.11171	14.7
159.11678	16.2
161.13237	13.5
163.11162	4.2
163.14751	3.3
165.12796	5.7
171.11642	4.5
175.14796	6.6
179.14359	6.3
187.14861	3.6
193.15851	16.0
241.19514	4.2
249.22137	5.3
259.20566	17.1
276.20407	18.0
277.21643	100.0
294.21591	14.1
294.24329	38.2
313.73389	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2425
Annotation	Lanyuamide I
Peak:m/z	Relative Intensity
55.05503	4.7
56.05036	2.2
57.07071	1.3
58.06611	9.0
66.72953	0.8
67.05231	1.0
67.05512	15.1
68.05042	0.9
69.07064	5.1
70.06573	1.0
71.04982	0.7
72.08157	1.4
75.84153	0.8
79.05500	10.5
79.73167	1.0
81.07063	19.6
82.06586	4.2
83.08604	1.5
84.08135	7.4
90.09472	0.8
91.05476	1.8
92.21167	1.1
93.07053	12.6
95.04974	1.3
95.08613	11.9
96.08144	1.8
97.10184	1.7
98.09694	4.0
105.07043	1.5
107.08595	7.0
109.10142	6.2
110.09692	5.1
110.86090	0.9
112.11255	1.6
119.08598	2.1
121.10177	8.2
123.11745	1.3
124.11230	1.9
125.76565	0.8
127.76965	1.0
133.10133	1.7
135.11719	4.2
138.12816	1.4
145.10170	1.0
147.11720	1.9
149.13258	1.0
152.96391	1.0
154.12218	3.5
162.70482	0.8
172.13287	1.1
194.15410	1.6
222.18295	1.4
240.19580	5.4
276.20502	1.8
276.23190	12.5
277.21442	1.6
281.31769	0.9
294.21738	3.8
294.24283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Lepadiformine
Peak:m/z	Relative Intensity
51.88802	1.0
55.01877	1.2
55.05520	12.7
56.94241	0.9
57.07080	17.5
58.06605	2.2
66.79395	1.0
67.05507	11.5
69.07066	24.5
70.06596	1.1
71.08635	11.9
72.08140	2.5
79.05489	4.5
81.03427	1.5
81.07068	17.8
83.08620	12.4
84.08147	1.5
85.06537	1.5
85.10176	5.1
86.09730	1.2
87.85886	1.3
91.05508	1.1
91.38568	1.0
93.07029	9.2
95.04971	9.0
95.08604	25.7
97.06523	1.3
97.10177	11.0
98.06055	10.5
98.09682	2.0
100.07626	1.1
105.07025	2.4
107.08589	7.6
109.06507	1.9
109.10155	16.2
111.08083	1.6
111.11740	1.8
112.07614	12.6
113.53573	1.1
119.08585	4.8
121.06447	1.4
121.10141	7.1
122.09604	1.0
123.08079	6.0
123.11694	8.6
125.13244	1.4
126.09116	1.9
131.08563	1.7
133.10123	4.2
135.11723	5.2
137.09595	6.3
137.13252	4.3
140.10724	5.1
147.11681	2.5
149.13254	1.6
151.11212	4.4
152.11551	2.0
154.12305	5.9
163.89203	1.0
165.12723	1.3
179.14352	2.4
182.15475	1.3
196.16953	1.1
241.19225	1.5
259.20618	1.7
276.23129	1.4
277.21655	21.7
294.07443	2.5
294.21310	4.5
294.24332	20.6
294.27905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.2
56.05045	2.3
57.07072	3.5
58.02964	15.1
58.06598	6.5
62.07557	1.4
67.05514	23.0
69.07068	23.1
71.08623	2.7
71.20452	1.3
72.08174	2.9
79.05494	8.6
81.07062	29.5
82.06591	3.0
83.08626	18.2
84.08142	3.9
85.10196	2.5
91.05482	3.5
93.07034	16.5
95.08617	24.4
96.08108	2.9
97.10179	11.4
98.09667	2.2
100.07637	2.6
105.07014	2.4
107.08587	12.6
109.10142	15.8
110.09659	3.3
114.09164	6.4
119.08545	2.0
121.10145	9.2
123.11710	1.9
124.89510	1.8
128.10739	7.9
133.10135	3.1
135.11700	7.0
142.12263	2.4
147.11700	1.9
149.13269	2.6
156.13924	1.7
212.20004	2.0
240.19591	7.6
245.22621	2.4
248.23627	1.6
276.23260	12.9
277.21701	2.8
294.21719	4.0
294.24274	100.0
294.27887	55.9
294.31104	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	19.5
56.05021	11.1
57.07079	12.6
66.97736	1.4
67.05511	26.0
68.05011	6.6
69.07072	29.0
70.06596	3.2
71.08620	3.6
79.05497	18.1
80.87239	1.6
81.07063	30.7
82.06599	2.3
83.04965	2.1
83.08629	18.8
85.10152	10.2
86.06072	41.7
88.24860	1.5
91.05459	10.9
93.07032	13.7
94.06580	4.0
95.04986	16.7
95.08613	30.7
97.10148	9.9
100.07621	6.1
105.07030	13.0
107.08575	9.6
108.08085	3.1
109.10165	13.8
109.16659	1.4
111.11750	2.0
113.09621	3.1
119.08549	9.2
121.10115	9.4
121.60496	1.8
123.11665	2.3
131.08519	2.2
133.10097	7.6
134.44453	1.6
135.11687	3.8
147.11647	9.3
161.13234	2.4
165.12727	36.9
179.14301	3.2
207.13849	1.8
264.26694	3.8
276.26822	2.8
277.21597	59.1
294.21133	6.7
294.24286	15.1
294.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2791
Annotation	Lepadiformine
Peak:m/z	Relative Intensity
55.05514	19.4
56.05034	3.7
56.33046	2.8
57.07076	17.8
58.02965	3.4
67.05515	24.3
69.07076	36.0
71.08627	4.6
75.71894	2.9
79.05494	17.3
81.07058	42.7
82.06551	3.4
83.08614	26.6
85.10191	4.8
86.06079	47.7
91.05467	14.4
93.07039	22.5
95.04966	12.4
95.08597	34.9
97.10184	15.5
105.07040	16.2
107.08593	18.8
109.10178	23.2
119.08566	13.1
121.10165	12.4
129.47983	3.2
133.10158	7.8
135.11719	6.4
147.11682	4.6
151.11133	3.3
152.72758	3.3
155.60664	3.7
165.12709	27.3
214.77583	3.7
263.96619	3.5
276.26691	5.1
277.18820	5.7
277.21613	56.0
277.24698	5.6
294.07553	4.3
294.21399	4.5
294.24335	24.6
294.27917	100.0
309.59030	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22430	1.1
55.05523	15.6
56.05046	10.3
57.07091	12.1
60.04531	2.4
67.05509	15.8
68.05029	9.0
69.07069	22.5
70.06608	2.2
71.08610	3.5
72.04494	1.3
79.05498	10.9
81.07058	24.1
82.06590	3.4
83.08614	15.2
86.06068	45.4
91.05463	7.8
92.20915	1.8
93.07030	8.3
94.06571	2.9
95.04964	2.1
95.08607	24.1
96.08155	1.9
97.06562	1.5
97.10152	6.1
100.07616	5.3
105.07021	9.2
107.08598	8.3
108.08090	2.4
109.10162	11.5
119.08587	6.2
121.10138	6.5
133.10109	6.9
146.48535	1.6
147.11713	2.5
179.14302	11.5
264.26886	6.4
276.26691	5.5
277.21634	6.9
294.27905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.05521	3.9
56.25240	3.0
57.03447	54.2
61.02908	14.6
67.05503	7.8
67.25249	4.0
69.03436	49.6
69.07063	4.8
71.01326	5.6
71.05004	5.2
73.02917	100.0
79.05492	3.9
81.07059	18.5
83.05008	4.1
83.08636	4.8
85.02905	70.2
86.44039	3.8
87.04447	6.0
91.05483	9.7
93.07058	7.5
94.95437	3.7
95.01331	7.0
95.04932	4.8
95.08617	9.6
97.02908	63.8
99.04488	4.6
107.08636	7.1
109.06581	5.3
109.10147	5.8
115.03928	73.2
117.81704	4.3
119.04911	6.6
119.08565	4.4
119.91739	3.5
121.10128	4.5
127.03899	17.0
133.04945	21.6
135.11699	9.0
135.70111	3.8
145.02763	4.5
145.04968	9.7
147.04453	13.7
173.54604	4.3
175.03949	16.4
177.05444	5.4
205.04958	45.6
224.26511	4.1
241.07190	5.2
245.40762	4.3
249.07584	23.7
254.74948	4.0
267.13654	5.3
277.21426	16.9
295.09729	21.6
295.13251	20.4
295.16751	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1136
Annotation	N-Glycosyl-L-asparagine
Peak:m/z	Relative Intensity
55.01871	1.5
65.00600	1.6
69.03439	3.2
81.03414	16.4
81.34366	1.5
82.56022	1.8
85.02905	3.2
87.04458	1.8
87.05594	40.6
93.57935	1.8
95.04985	3.8
96.04489	8.0
97.02890	9.7
98.06005	3.2
99.04451	3.6
108.04497	13.4
110.06061	2.8
112.03983	2.3
117.06655	2.7
120.04462	1.8
122.06023	11.8
126.05530	4.1
127.03931	4.2
128.03430	4.1
133.06055	16.1
134.06036	7.9
142.04948	2.7
143.05765	3.9
145.06088	20.3
150.05502	15.5
152.03430	8.0
152.07094	3.7
154.04965	13.1
154.08620	14.9
156.06541	7.5
162.05537	2.6
164.07172	2.3
165.06624	11.3
166.04996	9.7
167.08133	4.3
178.04951	3.1
179.07933	2.5
182.04510	3.4
194.04478	49.0
195.07703	3.6
196.01131	2.0
197.09218	9.5
200.05573	3.7
211.07137	81.3
211.16418	2.0
213.08669	2.3
224.05568	2.9
241.08176	4.1
259.09244	100.0
277.10544	20.6
277.14804	1.9
295.12939	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
56.05033	0.6
58.09035	0.5
60.31871	0.5
69.03398	0.9
73.86387	0.6
84.04507	28.7
85.02911	0.8
86.09706	1.0
86.88016	0.5
91.05506	1.0
102.05530	0.6
103.05487	3.2
107.04938	1.2
119.04933	0.7
120.08099	100.0
121.06519	1.4
130.04999	6.3
131.04907	6.5
136.07570	16.8
149.05995	2.9
150.07747	3.1
166.08626	38.8
186.09148	10.1
204.88474	0.6
211.07188	0.9
229.88266	0.6
232.09637	5.4
259.09329	0.7
278.10162	4.6
295.09824	1.6
295.12869	13.3
295.16504	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01711	4.1
52.68758	4.5
52.86054	4.3
55.05527	11.7
55.59723	4.2
57.07070	12.9
60.11315	4.4
66.64237	4.4
67.05506	32.8
69.07078	37.6
71.08617	27.8
74.83681	5.1
79.05505	25.4
81.07066	36.1
83.08601	28.6
84.53626	4.9
85.10164	5.5
91.05477	8.9
93.07044	31.6
95.04978	10.1
95.08599	35.9
97.10179	11.1
98.67086	4.7
99.08112	6.8
101.01802	5.6
102.02477	4.5
105.07029	77.1
107.08635	18.7
109.06480	5.0
109.10140	9.2
111.08064	6.2
111.21974	5.9
119.08617	7.3
121.10172	11.9
133.06506	78.1
134.07289	42.1
135.08060	100.0
135.11696	9.3
137.05997	7.9
147.11740	6.4
147.72136	5.6
151.07561	23.6
151.11195	9.7
161.13281	8.6
165.03685	73.9
179.05241	10.9
187.58884	5.3
230.12363	5.6
254.12354	12.7
254.24841	40.1
272.13492	11.2
277.16025	37.7
277.21481	52.4
277.96613	5.8
282.40686	5.5
292.13596	5.6
295.17398	48.5
295.22635	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Embelin
Peak:m/z	Relative Intensity
51.24586	0.7
51.93573	0.6
54.74960	0.8
55.01875	4.0
55.05519	6.6
57.07080	0.9
67.05508	12.9
69.07055	4.5
71.08626	2.1
77.26462	0.9
79.05489	4.3
81.07060	17.7
83.04987	2.0
83.08620	5.5
85.06548	1.1
89.98621	1.0
91.05476	1.5
93.07047	6.4
95.04973	1.0
95.08611	6.4
97.06528	2.1
97.10162	1.7
99.08075	1.1
101.09638	1.1
105.07014	1.7
107.04958	1.0
107.08609	6.1
107.98353	0.9
109.06528	7.2
109.10171	7.5
111.04434	9.5
111.08086	4.4
119.08592	3.5
121.10121	5.8
123.08103	2.1
123.11741	1.4
125.05979	1.7
125.09586	3.8
133.10156	4.4
134.81648	0.9
135.11708	5.7
137.05978	100.0
141.55727	0.9
147.11699	5.0
147.96921	0.9
149.09633	2.1
149.13254	1.8
151.07497	1.6
151.11215	1.8
161.09653	3.7
161.13249	3.3
163.11166	1.6
165.09132	1.4
175.11209	2.1
203.17987	3.4
213.16304	1.1
231.17381	5.3
249.18515	6.1
259.20560	1.9
277.17969	46.8
277.21573	11.9
278.22009	4.5
295.19031	6.4
295.22681	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1903
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01868	2.0
55.05518	3.6
57.07084	1.6
59.09023	0.8
67.05505	4.9
69.07064	4.0
71.08628	5.4
79.05501	4.8
81.07077	10.8
83.05003	2.1
83.08611	1.6
91.05469	2.2
93.07040	6.0
95.04941	1.0
95.08595	7.1
97.06566	1.4
97.10150	1.2
99.08109	2.3
104.54802	0.9
105.07059	1.5
107.08613	4.9
109.06526	4.3
109.10157	1.4
111.04429	10.2
111.08084	1.7
117.07059	1.3
119.08562	4.0
121.10164	5.1
125.06001	1.1
131.08572	1.2
133.10124	1.6
135.11650	4.2
137.05983	100.0
139.11200	1.2
145.10139	2.0
147.11662	5.2
149.09627	2.0
151.07581	1.5
151.11157	1.1
157.10155	1.4
159.11700	1.6
161.09631	4.9
161.13248	3.9
163.11232	1.7
165.09084	1.5
171.11711	1.5
175.11197	4.4
179.10634	1.4
196.17038	1.3
203.17967	4.7
231.17365	4.7
249.18512	7.0
270.21390	1.1
277.17966	48.7
278.21893	1.6
295.19449	1.6
295.20203	1.6
305.82388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.07371	1.1
55.01880	6.8
55.05519	13.9
55.99916	1.2
57.03425	1.5
57.07083	3.4
63.51552	1.4
64.79084	1.5
67.05508	26.1
69.07077	17.9
71.04979	1.4
71.08630	12.5
74.07732	1.5
75.11340	1.4
79.05497	15.6
79.82656	1.5
81.03441	2.3
81.07059	38.7
83.04990	10.0
83.08616	16.5
85.06534	2.8
91.05475	10.8
93.07037	23.0
95.04960	8.4
95.08623	17.3
97.06518	8.0
97.10170	10.4
99.08100	3.5
101.96223	1.6
105.07040	9.7
107.08598	16.3
109.06532	6.6
109.10193	12.6
111.04396	12.0
111.08076	4.0
113.09618	1.8
119.08577	8.5
121.10125	11.9
123.08060	7.3
123.11720	3.3
125.05992	3.1
125.09629	6.6
131.08534	3.3
133.06558	5.9
133.10127	11.2
135.08055	1.8
135.11688	9.6
137.05977	100.0
137.09680	5.5
137.13231	1.7
145.10132	3.0
147.11681	10.7
149.09615	3.2
149.13266	3.1
151.07590	5.9
151.11180	7.8
153.12740	6.6
157.10124	6.1
159.11679	3.2
161.09665	7.8
161.13231	3.2
163.11211	2.6
171.11642	1.9
173.13216	2.1
175.11212	2.4
185.13211	1.8
189.11151	2.5
203.17984	3.5
213.16347	2.1
249.18365	5.9
259.20456	6.2
260.20816	1.8
277.17999	37.4
277.21600	40.6
278.21979	14.5
295.19827	3.7
295.22620	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03959	1.4
55.01876	1.7
55.05512	5.0
57.07079	3.8
64.53005	0.7
65.58739	0.7
67.05499	10.3
69.07074	13.8
71.08621	1.6
79.05506	9.0
81.03433	9.7
81.07063	21.1
83.04987	5.4
91.05470	4.7
93.07027	10.3
95.04958	9.1
95.08607	7.9
97.10142	3.8
99.08107	0.9
105.07016	7.8
107.04855	0.8
107.08605	8.3
109.06519	6.6
109.10150	5.1
111.04443	11.9
119.08585	4.0
121.10136	4.8
123.08096	1.6
123.11714	1.6
125.06011	3.6
125.09689	1.6
129.07042	1.0
131.08562	1.7
133.10126	5.8
135.08113	1.6
135.11707	3.6
137.05977	100.0
140.60373	1.1
145.10115	1.2
147.11693	7.9
149.09671	3.1
149.13284	3.4
151.07570	1.3
151.11163	10.4
153.09093	1.3
159.49760	0.8
161.09622	3.8
161.13235	4.3
163.11214	1.9
163.14902	1.3
165.09055	1.1
165.12744	1.7
173.13298	1.2
175.11179	5.7
175.14853	1.3
179.14400	1.3
203.17981	3.5
221.18990	1.1
231.17436	4.9
241.19580	1.5
249.18446	7.0
259.20590	2.0
277.17984	39.5
277.21597	30.2
295.18994	4.8
295.22644	3.9
296.18860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	25.2
55.05513	22.8
56.80546	3.3
57.03442	28.8
57.07076	4.6
58.16186	3.4
62.78084	3.7
67.05508	68.8
69.07077	41.1
71.04993	27.1
71.08624	21.2
79.05484	58.1
81.03441	4.5
81.07062	93.3
81.27811	4.6
83.04993	25.2
83.08617	24.0
85.02902	5.6
85.06536	5.1
91.05475	61.7
93.07029	66.3
94.40484	4.6
95.04962	89.0
95.08601	69.1
97.06512	48.4
97.10147	8.2
99.08070	5.1
105.07014	51.8
107.04954	35.5
107.08601	54.6
109.06505	9.1
109.10146	43.6
111.04404	5.0
111.08079	24.2
113.09628	9.7
117.07019	22.8
119.08575	45.6
121.06478	6.3
121.10149	26.0
123.08081	6.9
125.09618	6.9
126.44238	4.8
129.06996	8.7
131.08575	6.3
133.06487	19.7
133.10126	44.1
135.11667	9.9
137.09607	15.1
143.08553	16.5
145.10130	15.7
147.11688	18.6
149.13193	6.6
151.11165	8.1
157.10123	4.6
159.11687	7.5
161.13225	40.4
163.11163	25.5
165.12769	7.8
175.14825	8.4
177.12781	4.9
179.14285	58.3
185.13234	21.5
203.14317	16.8
221.15366	93.7
259.20486	6.6
277.21524	60.7
278.21991	17.0
295.19025	100.0
295.22629	52.2
310.44028	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00276	2.1
55.01885	20.6
55.05513	32.9
57.03445	25.0
57.07070	4.1
65.97457	2.3
66.34451	2.1
67.05512	73.4
69.03436	2.6
69.07084	29.7
71.04997	33.2
71.08619	13.1
79.05075	3.3
79.05497	56.3
81.03414	4.4
81.07059	83.6
83.04987	27.5
83.08636	30.6
85.02903	4.5
85.06534	10.9
85.10162	5.2
91.05490	57.2
93.07043	77.1
95.04964	91.5
95.08604	68.2
97.06533	49.0
97.10149	12.1
99.08105	14.0
105.07049	50.7
105.17595	2.7
107.04958	34.6
107.08609	47.5
109.06528	15.1
109.10174	29.8
111.04428	16.5
111.08096	35.6
113.09653	11.2
117.06995	22.5
119.08576	45.6
121.06480	11.1
121.10144	20.2
123.08078	13.5
123.11657	4.0
125.09594	5.6
129.06987	5.4
131.08565	13.2
133.06514	27.4
133.10124	29.4
135.08035	4.8
135.11707	29.2
137.09636	5.9
139.11160	4.1
143.08589	19.1
145.10136	17.4
147.08078	4.4
147.11697	17.0
149.13237	3.3
151.11203	19.5
155.58395	2.6
157.10127	5.4
159.11662	13.8
161.09619	4.4
161.13234	32.4
163.11205	26.2
165.12755	11.2
175.11212	2.7
175.14793	5.7
177.12714	5.3
179.14302	63.1
185.13255	16.2
203.14360	13.3
221.15344	89.9
241.19560	4.2
259.20602	4.3
277.21603	64.2
278.21976	10.0
295.19022	100.0
295.22665	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.4
56.11784	0.9
67.05508	7.0
69.07047	1.2
79.05486	5.5
81.07055	9.3
83.08638	1.1
85.06544	1.9
91.05464	10.8
93.07044	13.7
95.04977	1.2
95.08609	7.4
97.06548	1.2
102.03060	0.9
105.07028	23.3
107.08585	13.4
108.68805	1.0
109.06532	2.2
109.10159	4.0
111.08091	9.0
117.07008	7.3
119.08579	13.1
121.10137	7.5
123.08089	1.6
129.06989	6.4
131.08583	13.3
133.10143	10.8
135.08060	6.1
135.11716	1.8
137.09615	3.7
142.07730	1.2
143.08582	12.4
145.10127	30.9
147.08009	7.6
147.11641	8.4
149.09648	4.2
155.08534	6.4
157.10098	16.4
159.11700	24.4
161.09648	1.2
161.13252	6.2
163.11102	1.6
167.08601	1.4
169.10127	6.4
171.11668	7.6
173.13237	8.4
175.11182	3.9
181.10100	4.4
183.11671	6.7
185.09676	1.8
185.13248	13.5
187.11168	3.9
187.14870	1.4
193.10109	4.1
195.11707	10.5
197.13246	7.5
199.14859	1.9
200.27682	0.9
201.12723	1.6
207.11810	5.1
209.13260	5.2
211.14880	5.6
213.12723	2.3
215.14311	4.0
221.13283	5.7
223.14877	3.7
233.13297	1.2
235.14896	1.6
237.16354	5.5
239.14244	1.6
248.15497	1.3
249.16309	1.2
251.17902	8.5
252.18808	5.0
253.15762	2.3
253.19527	4.2
267.17596	1.1
277.19543	14.1
280.17993	1.4
295.20560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.97026	1.4
67.05484	2.4
68.53071	1.5
76.53249	1.6
79.05479	6.7
81.07041	10.4
83.27287	1.7
91.05466	4.0
93.07054	12.4
95.08580	9.9
97.10139	1.7
105.07024	14.6
107.08570	8.4
109.06487	2.0
109.10114	6.5
111.08069	3.7
117.06992	7.0
119.08560	9.7
121.10093	6.6
123.08025	2.7
129.06984	3.7
131.08559	9.6
133.10092	7.2
135.07994	7.4
135.11671	2.2
142.07785	1.9
143.08516	9.6
145.10106	25.5
147.08000	8.0
147.11641	8.4
155.08521	7.1
157.10060	11.8
159.11679	19.1
163.11246	1.8
169.10094	4.2
171.11635	2.3
173.13219	6.8
181.10063	2.3
183.11604	7.2
185.09613	2.1
185.13245	10.4
195.11626	2.8
197.13235	4.0
199.14865	3.0
209.13277	3.0
211.14781	2.8
215.14055	2.1
221.13297	6.7
237.16280	3.9
251.17950	3.9
252.18623	3.2
253.15781	2.2
253.19476	2.2
277.19379	12.1
295.20523	100.0
295.23718	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05505	1.8
67.05495	4.5
69.07047	2.4
71.04986	1.2
71.08633	1.1
79.05489	1.8
81.07039	6.0
83.08619	1.1
85.06521	4.6
91.05476	4.7
93.07021	5.4
95.04941	1.4
95.08586	4.4
97.06512	1.9
99.04459	1.1
99.08088	1.3
104.41928	1.2
105.07031	5.3
107.08595	10.1
109.06524	1.8
109.10165	4.2
111.08076	1.1
117.06990	1.4
119.08545	2.1
129.06984	1.3
131.08574	1.8
133.10135	2.0
133.28833	1.1
137.09544	1.6
142.07738	2.7
145.10104	2.1
147.11632	1.3
151.11156	2.6
155.08467	1.1
157.10120	100.0
164.37407	1.4
169.10117	1.6
179.10622	6.3
181.10141	1.5
183.11659	4.5
195.11656	6.2
197.13210	4.0
207.11658	1.8
209.13199	4.2
210.13947	2.0
211.14813	4.6
221.13126	2.5
225.16295	6.7
235.14835	1.9
237.16412	6.1
237.18828	1.1
238.19550	1.2
248.15535	2.1
262.17142	1.8
268.91031	1.2
277.19427	6.1
277.21863	2.4
279.83105	1.4
295.20514	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03275	0.7
54.03705	0.8
55.01885	1.3
55.02946	0.7
55.05507	5.1
56.67746	0.9
57.07073	0.8
59.91476	0.8
63.09651	0.8
63.85222	0.8
67.05511	12.0
69.07056	4.4
71.04975	1.3
71.08656	1.1
73.82021	0.8
79.05471	5.9
81.06704	0.8
81.07062	15.8
83.08598	4.0
85.06536	1.7
91.05472	7.9
93.06558	1.2
93.07045	17.3
95.05004	1.4
95.08609	10.6
97.06528	1.9
97.10165	1.9
99.08108	1.0
105.07021	18.8
107.08604	13.9
109.06508	1.9
109.10165	7.0
110.10371	1.2
111.04415	3.7
111.08047	8.4
117.07016	7.5
119.07861	0.8
119.08556	8.3
121.10147	9.5
123.08046	4.9
123.11717	1.5
128.06244	1.0
129.07001	1.5
131.08560	9.2
133.10120	10.5
135.08040	5.4
135.11685	5.6
136.12096	1.0
137.05980	24.6
137.09618	4.4
141.06937	0.9
142.07716	0.9
143.08530	9.2
145.10139	18.8
147.07999	5.9
147.11681	9.9
149.09605	4.0
151.11118	1.9
155.08528	3.7
157.10138	13.4
159.11697	18.9
161.09702	1.1
161.13254	5.8
163.11150	2.1
169.10110	4.8
171.11639	5.7
173.13318	8.2
175.11119	4.2
181.10097	3.9
183.11644	4.4
185.09660	1.7
185.13251	9.6
187.11221	2.1
189.12756	1.4
193.10100	2.1
195.11662	6.1
197.13245	7.1
199.11134	2.0
201.12671	1.0
207.11664	4.3
209.13242	3.5
211.14813	1.7
215.14236	2.8
221.13222	5.7
221.15260	1.5
223.14754	3.7
225.16376	1.5
235.14775	5.7
237.16299	6.0
239.14294	4.2
251.18001	6.5
252.18724	3.9
253.15837	1.5
253.19514	4.4
259.20386	1.2
262.17374	1.2
277.18179	5.5
277.19629	6.7
277.21732	6.4
278.21893	1.7
287.18741	1.2
295.20505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	3.8
55.01881	10.9
55.05512	25.8
57.03435	6.3
57.07079	10.1
67.05508	54.5
69.07064	34.6
71.04977	5.5
71.08628	24.9
72.04505	22.1
79.05497	33.5
81.03426	20.1
81.07060	66.4
83.04977	20.5
83.08640	36.7
85.06508	4.7
85.10177	7.4
91.05487	20.3
93.07051	50.4
95.04975	17.1
95.08611	50.3
97.06532	7.3
97.10163	20.4
99.08101	22.6
105.07025	20.0
107.08580	26.0
109.06484	7.0
109.10175	23.6
111.08076	8.4
113.09657	5.9
114.19361	4.7
119.08598	9.5
121.10126	26.9
123.11691	7.1
125.09603	6.8
131.08591	6.4
133.10141	24.1
135.08072	5.1
135.11690	20.5
147.11708	20.7
149.13264	19.8
151.11172	19.3
161.13264	6.5
163.11150	5.9
165.12711	8.3
165.69226	4.7
171.11557	5.5
179.14282	22.9
183.72061	4.7
189.11317	6.3
254.24730	92.2
277.21521	100.0
278.21844	8.1
295.22293	64.8
295.27817	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.05513	13.9
57.03452	1.8
57.07064	2.7
67.05506	36.7
69.07072	17.7
71.05001	2.3
71.08261	2.2
71.08630	58.7
77.21610	1.9
79.05495	32.0
81.03423	4.2
81.06612	3.0
81.07063	51.2
83.04980	10.3
83.08637	14.7
91.05476	20.1
93.07044	59.7
95.04956	6.8
95.08607	34.9
97.06524	6.8
97.10168	3.4
99.08102	35.5
105.07035	14.2
107.04977	3.8
107.08607	36.4
107.33151	1.7
108.33876	1.9
109.06547	2.1
109.10165	15.9
111.08024	3.9
113.09541	1.8
119.08578	16.4
121.10136	34.6
131.08556	2.7
133.10121	16.8
135.11708	38.8
137.09566	5.8
141.09065	3.4
145.10117	2.9
147.11659	3.3
149.13280	12.8
151.11185	18.1
153.12750	3.4
161.13235	11.1
162.24300	1.7
163.11192	8.2
163.14819	2.4
167.10577	1.9
171.11723	2.1
173.13223	1.9
175.14754	2.6
177.12781	3.2
179.14293	100.0
195.77699	1.7
221.15358	3.5
235.16940	3.9
241.19736	1.9
259.20523	3.8
277.21613	71.2
295.22723	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01871	2.9
55.05526	22.2
57.03442	3.3
57.07091	3.8
60.57000	2.1
64.30584	2.2
67.05515	39.1
69.07076	20.3
71.05003	3.3
71.08639	99.9
79.05495	34.9
81.03428	3.9
81.07062	41.3
83.02018	2.5
83.04995	14.3
83.08611	11.4
85.06541	3.7
91.05476	26.7
91.37315	2.6
93.07046	54.5
95.04964	6.2
95.08611	31.8
97.06516	5.5
97.10168	5.4
99.08097	52.5
105.07040	23.2
107.04935	5.0
107.08596	28.2
109.10152	16.5
117.07007	5.3
119.08594	18.5
121.06503	3.5
121.10125	20.4
123.11680	3.5
125.09590	2.9
129.06990	5.8
130.12660	2.4
131.08537	4.5
133.10136	14.1
135.11681	19.1
137.09651	4.3
145.10181	4.2
147.11716	12.8
149.13257	12.5
151.11188	37.6
153.12737	10.3
154.00565	2.6
161.13239	26.7
163.11165	15.5
163.14845	5.0
165.12788	3.2
167.10626	5.3
171.11658	3.8
173.13315	5.0
175.14742	4.2
179.14296	36.0
185.13220	3.5
221.15332	4.5
241.19461	11.3
259.20493	4.0
277.21613	100.0
295.22629	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.58561	1.5
53.03939	2.5
55.01885	2.1
55.05512	10.7
57.07084	3.1
67.05517	34.2
69.07074	28.2
71.08641	9.0
75.82903	2.0
76.17525	2.0
79.05486	22.3
80.47173	1.9
81.03427	35.7
81.07063	33.0
83.04971	9.1
83.08621	8.9
88.57169	1.8
91.05468	12.5
93.07047	29.9
95.04985	28.3
95.08620	22.2
97.06522	3.9
97.10156	4.7
99.08112	3.1
100.83693	1.9
105.07030	13.3
107.08592	21.8
107.39311	1.9
109.06514	8.6
109.10154	14.3
110.17238	2.5
111.08087	3.2
117.07001	1.9
119.08584	13.6
121.10162	3.5
123.08108	2.9
123.11692	4.0
125.09649	4.5
132.87779	2.2
133.10118	16.2
135.11713	2.9
145.10205	2.6
147.11673	9.7
149.13258	2.9
151.11211	32.1
156.42549	2.3
161.13263	9.1
163.14789	2.5
165.12723	4.9
165.47313	2.1
166.34518	1.9
171.10222	1.9
171.11650	4.4
179.14326	2.7
231.21164	8.3
241.19472	3.1
259.20624	4.8
277.18588	3.7
277.21637	100.0
295.22910	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.79181	1.9
55.01873	13.1
55.05520	25.7
57.03420	3.3
57.07077	10.4
66.57318	1.9
67.05508	52.3
69.03426	4.3
69.07063	23.5
71.05001	4.4
71.08623	15.0
79.05495	32.9
81.03416	11.1
81.07067	53.9
83.04974	5.3
83.08619	23.3
85.06551	3.0
85.10176	9.8
91.05471	13.4
93.07047	43.6
95.04956	11.6
95.08613	40.5
97.06535	8.9
97.10183	19.4
99.08096	3.5
99.93967	2.2
105.07024	17.7
107.08602	32.6
109.06521	12.1
109.10158	31.4
110.20778	2.3
111.04430	11.2
111.08073	3.7
113.09648	3.4
116.07906	2.4
117.07005	3.2
119.08580	14.4
121.10150	18.5
123.08048	9.8
123.11668	8.7
125.09627	14.5
129.07043	2.5
131.08578	8.6
133.06488	19.4
133.10089	19.9
135.08119	3.4
135.11685	18.5
137.05984	100.0
137.09584	5.4
143.08569	3.8
145.10115	9.8
147.08002	2.6
147.11694	11.8
149.09589	4.8
149.13268	11.9
151.11182	11.2
153.12692	4.7
157.10086	8.8
159.11682	4.8
161.13214	12.5
163.11172	3.1
163.14812	2.9
165.12724	13.2
171.11652	3.0
173.13249	3.1
181.05933	2.1
185.13367	2.4
189.11238	10.8
203.17863	3.5
213.16187	2.2
217.19189	2.9
221.19237	3.1
223.14851	2.2
241.19305	3.8
249.18571	9.6
249.22025	2.9
249.38016	2.7
259.20456	5.6
277.18015	35.7
277.21585	80.3
278.21857	12.6
293.74655	2.3
295.22693	56.4
309.07028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01873	1.9
55.05510	11.3
57.03437	2.1
57.07093	5.4
67.05506	33.5
69.07066	33.1
71.04953	2.3
71.08626	6.7
79.05497	23.6
81.03423	29.8
81.07059	42.6
83.04990	13.4
83.08617	11.1
85.06538	2.7
91.05482	11.2
93.07043	33.0
95.04960	30.3
95.08611	18.8
95.35814	1.6
97.06519	2.2
97.10151	7.0
99.08079	2.8
105.07027	16.0
107.08595	23.3
109.06521	7.4
109.10160	13.3
111.08091	1.9
117.07001	2.1
119.08585	11.0
121.06386	1.9
121.10153	7.9
123.11728	2.5
125.09602	10.0
133.10092	15.1
135.11671	10.1
137.05925	15.6
147.11674	12.1
149.13277	4.4
151.11171	31.9
153.09171	2.2
161.13255	14.9
165.12698	6.5
171.11697	2.2
175.14804	1.9
179.14310	3.8
185.13223	2.2
210.19609	2.3
231.21007	3.6
241.19397	3.0
249.22046	3.8
259.20663	3.6
277.18463	5.1
277.21588	100.0
282.98077	2.0
295.22574	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	2.8
54.02384	1.4
55.01866	7.7
55.05318	1.5
55.05523	24.0
57.03434	2.7
57.07066	10.0
59.18159	1.6
67.05509	36.1
69.03419	8.2
69.07078	21.7
71.04978	3.7
71.08620	17.3
76.48218	1.7
79.05486	25.9
81.03430	7.5
81.07061	45.6
83.04976	11.7
83.08627	20.4
85.10168	8.6
91.05497	14.8
93.07043	31.3
94.07368	2.4
95.04967	20.9
95.08598	35.4
97.06511	3.5
97.10174	15.7
99.08083	7.4
105.07027	11.3
107.04946	2.2
107.08607	25.1
108.08926	2.3
109.06509	3.3
109.10170	14.9
111.08076	7.5
113.09629	11.4
117.07018	2.9
119.08569	10.5
121.10117	14.6
123.08019	4.0
123.11711	2.9
125.09623	8.7
131.08582	3.5
133.06509	2.9
133.10168	14.6
135.11670	10.1
137.05966	3.9
137.09587	3.7
145.10107	3.5
146.10370	1.9
147.11707	11.3
149.09630	2.3
149.13225	4.0
151.11238	15.1
153.12787	2.5
159.11699	2.9
161.13216	3.6
163.11200	2.2
165.12753	25.5
175.14836	2.1
179.14299	6.8
189.11229	4.1
207.13931	2.3
260.20734	2.2
277.18539	3.9
277.21558	60.5
278.21921	4.0
283.77676	2.2
295.17337	2.8
295.19577	3.5
295.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.08867	3.3
55.01884	4.7
55.05515	35.1
56.27765	3.2
56.56689	3.8
57.07066	3.4
59.49025	3.1
67.05508	62.3
69.07069	28.9
71.04980	4.0
71.08636	36.6
79.05495	37.3
81.03392	5.0
81.07056	67.2
83.04974	15.9
83.08622	25.9
91.05465	26.6
93.07034	53.2
95.04964	7.5
95.08616	56.1
97.06541	23.7
97.10154	34.9
99.08092	19.8
105.07034	21.7
107.08592	38.3
109.10159	69.4
111.08126	4.2
119.08567	19.8
121.10136	23.6
123.08051	6.1
123.11705	5.8
125.09633	16.5
131.08553	16.1
133.10143	16.9
135.11691	32.6
137.09622	16.8
143.08549	4.9
145.10130	8.6
147.11688	17.5
149.09660	4.4
149.13310	13.9
151.11159	21.5
161.13268	9.6
163.11174	6.1
163.14885	5.4
173.13202	7.0
175.14781	6.6
179.14281	22.3
181.12401	4.0
185.13339	4.8
189.11166	15.1
193.93765	4.0
241.19524	5.4
259.20587	7.3
277.21631	100.0
295.22583	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01881	19.9
55.05520	37.2
57.07084	4.3
65.16989	3.4
66.46677	3.4
67.05508	68.5
69.07087	28.6
69.07401	3.0
71.08636	39.5
79.05511	33.7
79.32057	3.0
81.03417	6.2
81.07061	54.8
83.04982	15.5
83.08629	23.6
85.06544	6.1
85.10185	5.7
91.05473	7.9
93.07043	39.7
95.04972	6.8
95.08602	34.2
97.06538	7.8
97.10159	26.6
99.08092	18.9
104.62920	3.6
105.07041	24.2
107.08616	24.3
109.06563	4.4
109.10147	28.4
111.08076	20.9
113.09638	4.2
117.06984	5.2
119.08565	19.6
121.10172	19.1
123.11684	4.6
123.84022	3.8
125.09624	17.5
133.10155	22.3
135.11716	17.2
137.09612	8.7
139.11177	5.9
142.15599	4.6
147.11719	19.5
149.13228	8.2
151.11191	23.8
161.13219	13.9
163.11153	8.7
165.12727	15.6
179.14343	4.5
185.13234	5.1
208.88606	3.9
231.21085	4.4
259.20551	6.3
277.21619	100.0
292.71881	3.9
295.22586	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.10983	2.1
53.44258	2.9
55.01880	34.0
55.05526	26.3
55.38690	2.7
56.32320	2.8
57.03427	5.0
57.07075	4.7
67.05512	50.2
69.07072	25.2
71.04977	3.0
71.08635	7.1
79.05494	29.4
81.03446	6.7
81.07066	43.1
82.07390	3.3
83.04989	7.2
83.08619	29.0
85.06552	4.8
85.10175	5.1
91.05479	24.0
91.50494	3.5
93.07037	41.5
95.04974	19.9
95.08612	35.9
97.06523	13.6
97.10165	20.1
97.55657	3.2
99.08121	5.4
105.07064	24.8
107.08582	28.8
108.08959	4.6
109.06513	6.2
109.10170	20.7
111.04435	3.9
111.08076	60.9
113.09674	5.6
119.08592	17.3
119.67210	2.8
121.06527	3.9
121.09400	2.9
121.10133	26.5
123.08092	4.4
123.11704	5.6
125.05978	3.4
125.09637	13.3
131.08582	6.3
133.10141	23.1
135.11710	14.9
137.05980	44.7
137.09599	13.6
139.11197	6.2
145.10133	13.3
147.11694	24.1
149.09636	11.6
149.13263	14.9
151.07533	3.7
151.11200	18.9
153.12694	3.4
157.10081	12.2
161.09709	3.4
161.13222	13.4
165.12727	26.6
171.11790	4.2
173.13322	3.0
175.11127	4.3
179.14285	3.7
180.81927	2.7
185.24094	2.8
186.91432	3.0
249.22194	3.4
259.20615	5.0
277.17993	28.6
277.21591	100.0
278.22083	6.5
295.19669	3.2
295.22861	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.66460	2.2
55.01873	11.9
55.05522	64.6
57.03444	2.5
57.07080	5.7
59.14101	2.3
66.31348	2.7
67.05515	42.5
69.07080	22.6
71.08625	18.4
79.05489	26.6
81.03407	6.3
81.07060	46.3
83.04992	4.6
83.08627	100.0
85.06519	2.6
91.05495	20.4
93.07054	33.6
95.04953	12.4
95.08585	31.5
97.06544	5.0
97.10201	4.9
99.08089	14.7
105.07055	19.5
107.08609	21.2
109.06573	4.3
109.10145	17.4
111.04572	2.6
111.08098	20.1
119.08579	16.6
121.10194	21.2
123.11665	5.4
133.10135	43.7
135.11699	18.9
137.06013	11.7
137.09598	5.2
139.11185	11.9
145.10127	2.9
147.11696	31.2
149.09688	10.7
149.13258	15.0
151.11163	21.2
153.37737	2.9
157.10127	13.0
161.13211	5.8
163.11311	3.1
165.12738	13.1
168.28711	2.8
175.11203	6.9
181.26297	2.6
185.13153	4.7
203.74091	2.7
241.19548	5.7
259.20532	16.1
261.39679	2.9
277.18484	5.3
277.21606	83.5
278.22061	5.8
295.22424	27.6
296.47293	2.8
299.42368	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.263
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
51.06536	5.3
53.64432	5.4
55.05513	38.5
57.07076	39.0
67.05515	52.1
69.07072	100.0
71.08618	30.9
72.22166	6.2
79.05501	35.7
81.07053	89.7
83.04978	9.6
83.08622	60.8
85.06520	9.5
85.10184	15.1
91.05496	30.1
93.07038	42.6
95.04949	7.9
95.08604	79.8
97.06538	11.2
97.10184	50.8
105.07026	77.3
107.08586	42.0
109.10155	54.8
111.08066	9.4
111.11720	26.5
119.08575	30.1
120.55238	6.6
121.10133	26.2
123.11678	27.1
133.06477	51.0
133.10123	46.6
134.07260	32.5
135.08044	75.4
135.11740	12.9
138.25682	6.9
147.11687	35.1
149.13222	11.4
151.07518	28.5
161.13231	27.8
163.14795	11.0
165.03667	33.6
165.12737	26.3
165.16278	7.0
175.14925	8.5
175.26060	8.8
179.05254	9.5
179.14310	11.5
245.22525	70.0
263.23688	90.6
277.16190	30.8
277.21588	46.0
295.17169	39.1
295.22769	15.2
295.26160	25.5
295.31564	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11787	1.2
52.12836	1.1
55.01869	2.1
55.05515	8.9
56.05021	1.9
57.07074	2.5
58.06610	8.5
64.00066	1.0
67.05183	1.5
67.05510	30.0
67.05848	2.4
67.75112	1.1
68.57350	1.1
69.07064	16.3
70.06626	0.9
71.08616	5.1
72.08141	2.2
76.32140	1.2
79.05502	9.7
81.03420	7.2
81.06621	1.8
81.07061	41.8
83.05017	3.9
83.08610	9.0
84.08122	2.5
86.06077	1.7
86.09687	1.6
91.05472	5.6
92.45815	1.1
93.07043	19.6
95.04960	5.7
95.08604	29.5
97.06504	2.5
97.10146	8.9
98.09659	4.7
99.08094	2.3
100.07568	1.4
100.11215	1.4
105.07050	10.2
107.08591	14.5
109.06547	1.4
109.10165	22.5
111.08090	1.8
113.09602	1.4
114.09161	1.8
114.12779	1.2
119.08581	7.7
121.10155	14.5
121.18803	1.2
121.75977	1.3
123.08073	1.4
123.11718	9.3
125.09657	1.6
128.10704	1.5
131.08588	2.5
133.10120	7.2
135.11699	7.3
137.09694	1.6
137.13272	2.6
140.10727	1.9
145.10130	2.2
147.11722	5.4
149.13206	6.3
150.08203	1.1
151.11128	8.7
153.12703	1.3
154.12294	1.6
159.11597	2.4
161.13298	1.9
163.14781	4.9
165.12770	2.7
168.13889	2.7
173.13234	2.4
177.16359	1.1
179.14278	5.1
182.15303	1.8
189.11241	1.7
201.57443	1.4
241.19456	1.5
243.20999	1.3
259.20554	1.3
261.22083	8.1
277.21634	29.4
278.22031	2.2
278.24747	20.7
295.22455	5.7
295.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47207	1.4
50.69604	1.4
50.80389	1.3
51.05677	1.3
51.46904	1.3
53.83135	1.4
55.05512	8.4
55.99151	1.5
56.05024	2.1
57.07081	2.9
58.06625	1.7
61.96705	1.4
67.05508	24.4
69.07060	17.4
71.08630	8.3
79.05492	10.0
81.03432	2.4
81.07062	33.2
83.08606	10.6
85.06568	2.0
91.05473	7.5
93.07052	18.7
95.04984	3.1
95.08613	29.3
97.06561	2.1
97.10169	3.0
100.07597	1.9
100.11260	3.5
105.07031	7.8
107.08607	13.7
109.10192	12.8
111.08101	2.2
114.09161	2.5
114.12787	2.0
119.08566	7.1
121.10124	9.8
123.08048	2.1
123.11701	7.4
135.08070	2.5
135.11708	7.2
137.09660	2.0
140.14359	2.4
143.01076	1.8
145.10080	2.7
147.11655	2.8
149.13217	3.8
151.11203	2.5
154.12250	4.1
161.13309	3.5
163.14796	2.3
165.12700	3.1
168.13817	2.3
173.13297	2.1
176.60510	1.8
179.14346	3.7
249.38365	1.7
261.22144	7.4
268.41656	1.7
277.21536	14.9
278.21817	7.2
278.24820	30.9
295.24728	3.9
295.27451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2741
Annotation	Pseudodistomin D
Peak:m/z	Relative Intensity
52.48844	1.3
55.05519	6.4
55.70303	1.2
57.07087	2.3
58.06596	1.6
67.05511	22.4
69.07058	8.7
70.06583	2.9
71.08627	6.9
79.05479	7.7
81.07063	29.8
83.08620	7.0
91.05478	3.9
93.07046	7.7
95.04941	2.0
95.08599	22.2
95.65121	1.5
97.06551	1.9
99.08062	2.7
100.11240	7.7
101.02266	1.4
105.07049	3.2
107.08591	8.7
109.10165	11.1
111.08071	1.7
114.12815	1.6
119.08575	3.5
119.73052	1.6
121.10109	9.5
123.08105	1.7
123.11717	3.7
126.12833	1.8
126.36945	1.4
128.10713	2.0
131.08566	2.2
131.35550	1.5
131.58453	1.7
133.10091	2.5
135.11691	6.1
137.13214	3.2
147.11734	2.0
149.13211	2.6
151.11174	3.7
154.12196	2.1
159.11662	2.4
161.13136	2.0
168.13867	2.8
177.12778	1.7
243.20959	2.7
261.21936	3.0
277.21616	11.3
278.22083	1.9
278.24817	29.3
295.22574	5.4
295.27438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0913
Annotation	Piperumbellactam A
Peak:m/z	Relative Intensity
56.27924	0.3
77.72729	0.4
80.78442	0.4
86.09690	0.5
90.24249	0.4
99.04479	0.4
162.10229	2.4
224.07028	0.5
236.07465	0.5
252.10034	0.5
261.22122	0.4
263.08850	0.9
266.07965	0.7
268.09744	1.8
279.09006	0.8
281.06839	0.9
296.09174	100.0
296.15723	8.1
315.40271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.7
59.66115	0.8
61.93186	0.9
62.34533	0.8
69.03412	1.5
70.06609	1.0
72.08152	3.6
74.92529	1.0
75.72911	0.9
83.85048	1.0
85.02876	1.1
87.04444	1.2
97.02921	1.4
99.04459	4.3
100.01164	1.0
102.05544	94.5
114.09175	18.5
117.05540	2.2
127.03928	3.6
127.06263	1.6
128.07112	5.2
137.02339	58.9
137.03403	2.3
137.53029	0.9
142.08640	23.0
160.09683	32.6
175.75827	1.0
178.08611	31.3
192.10179	4.5
195.04849	1.4
212.07414	4.2
250.10739	32.9
260.09518	1.6
268.11826	14.0
296.11319	100.0
296.14893	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.128
Annotation	Crykonisine
Peak:m/z	Relative Intensity
55.54729	0.3
57.03431	0.6
63.11847	0.3
64.87103	0.3
69.03432	0.7
71.92056	0.3
99.04437	0.6
107.04960	23.8
132.08067	3.4
147.06770	0.4
161.09416	0.6
161.64078	0.3
162.10266	36.1
164.09288	2.9
174.10300	0.7
175.06284	22.0
175.78793	0.3
178.08624	0.5
190.08615	3.8
204.11304	0.5
230.12984	0.3
252.07738	0.5
278.12198	0.3
278.14871	2.1
280.09753	0.6
281.07294	0.6
281.10449	15.5
296.09149	4.6
296.12799	50.5
296.16049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59636	0.4
53.03954	3.2
66.16372	0.5
69.83485	0.5
70.06612	0.5
71.04999	0.9
79.36562	0.5
81.03426	7.4
83.25470	0.6
84.56577	0.5
85.02904	3.5
86.23109	0.5
97.02878	1.2
99.04457	100.0
109.02913	0.7
117.05491	38.6
127.03896	0.9
137.05992	6.4
147.04420	3.3
163.03902	2.8
165.05458	2.8
193.01108	0.6
193.04984	3.2
223.05882	0.7
237.03854	2.5
251.05447	1.1
253.07040	3.8
272.99142	0.6
279.04868	0.6
296.07904	0.8
296.11026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74816	1.0
53.03952	1.8
54.29716	1.3
60.00152	1.0
67.80534	1.0
68.37440	1.0
69.03429	2.8
70.99193	1.1
71.04989	1.9
79.22417	1.0
81.03449	8.8
83.63685	1.0
85.02895	6.3
97.02892	2.1
99.04461	100.0
109.02921	2.2
117.05494	25.8
121.06544	1.4
127.03944	2.1
128.07034	2.1
136.06209	1.7
145.04938	1.9
145.64104	1.2
192.10182	6.5
193.09822	2.0
236.09082	1.2
261.09714	6.7
296.08087	1.4
296.11246	6.6
296.15018	5.6
306.44370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
54.59285	1.4
66.88661	1.3
67.21347	1.3
69.03416	3.2
79.24159	1.3
79.89611	1.6
81.03414	9.4
82.45208	1.4
85.02911	7.7
97.02904	7.7
99.04459	100.0
117.05499	29.8
127.03897	3.0
128.07042	8.0
137.05988	17.9
145.04985	2.2
147.04411	7.8
163.03920	6.9
163.07532	1.9
165.05478	3.1
166.02399	1.4
191.03401	1.8
192.10231	9.9
193.04970	7.9
193.09738	3.4
251.05518	3.7
253.07034	11.6
261.09756	3.3
278.10223	2.0
296.07974	3.5
296.11356	10.4
296.14993	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59636	0.4
53.03954	3.2
66.16372	0.5
69.83485	0.5
70.06612	0.5
71.04999	0.9
79.36562	0.5
81.03426	7.4
83.25470	0.6
84.56577	0.5
85.02904	3.5
86.23109	0.5
97.02878	1.2
99.04457	100.0
109.02913	0.7
117.05491	38.6
127.03896	0.9
137.05992	6.4
147.04420	3.3
163.03902	2.8
165.05458	2.8
193.01108	0.6
193.04984	3.2
223.05882	0.7
237.03854	2.5
251.05447	1.1
253.07040	3.8
272.99142	0.6
279.04868	0.6
296.07904	0.8
296.11026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18869	0.4
55.16414	0.4
57.03410	0.4
65.58681	0.4
87.04435	1.8
92.21522	0.5
98.06052	0.9
99.04453	2.2
101.06025	3.4
105.07043	0.7
113.05968	0.8
114.85625	0.4
117.05745	0.6
120.05293	0.5
120.08088	4.9
130.06520	2.8
130.08638	3.5
131.04935	0.8
132.08086	100.0
136.07596	4.6
137.07899	2.2
150.09142	2.1
151.08098	0.6
164.09302	27.4
164.10690	1.0
175.05537	0.4
175.68187	0.5
178.08630	21.5
204.72299	0.4
218.11726	16.6
218.13719	0.6
232.13326	4.2
250.14319	8.9
250.16470	0.5
264.12384	2.1
296.09592	6.0
296.14987	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18869	0.4
55.16414	0.4
57.03410	0.4
65.58681	0.4
87.04435	1.8
92.21522	0.5
98.06052	0.9
99.04453	2.2
101.06025	3.4
105.07043	0.7
113.05968	0.8
114.85625	0.4
117.05745	0.6
120.05293	0.5
120.08088	4.9
130.06520	2.8
130.08638	3.5
131.04935	0.8
132.08086	100.0
136.07596	4.6
137.07899	2.2
150.09142	2.1
151.08098	0.6
164.09302	27.4
164.10690	1.0
175.05537	0.4
175.68187	0.5
178.08630	21.5
204.72299	0.4
218.11726	16.6
218.13719	0.6
232.13326	4.2
250.14319	8.9
250.16470	0.5
264.12384	2.1
296.09592	6.0
296.14987	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
69.03439	0.4
99.04443	0.4
112.78043	0.3
160.11412	0.3
162.10257	37.8
199.92513	0.3
204.11255	1.2
218.12837	0.4
220.82962	0.3
234.12210	0.4
247.05359	0.3
278.14984	2.6
296.13025	5.3
296.16034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
69.03407	0.7
70.00813	0.6
70.46778	0.4
71.06289	0.4
71.20512	0.4
77.63696	0.4
78.71577	0.4
81.51992	0.5
88.47849	0.4
89.02456	0.6
129.69685	0.4
162.10252	33.7
174.10173	0.5
230.12906	0.6
278.14859	3.0
281.10730	0.6
288.53723	0.5
296.16025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74413	0.3
56.57590	0.3
57.03426	0.3
61.02940	0.5
64.83634	0.3
69.03436	0.4
73.02867	0.3
79.23808	0.3
79.79870	0.3
99.04462	0.3
161.09541	0.4
162.10251	36.0
174.10269	0.5
200.91376	0.4
204.11305	0.8
254.98785	0.3
260.22195	0.3
278.15012	2.7
296.13031	5.8
296.16028	100.0
296.60416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.4
69.20970	0.3
85.15163	0.3
89.30416	0.3
95.58025	0.3
107.04948	0.7
120.08094	0.4
161.09576	0.6
162.10254	36.9
164.09286	1.8
174.10213	0.4
204.11362	0.4
278.15097	2.7
290.74738	0.4
296.13068	5.0
296.16034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87027	0.2
54.10355	0.3
55.05511	1.4
60.08174	0.4
75.80730	0.3
82.29272	0.3
83.46529	0.3
84.08567	0.3
85.02893	1.3
95.06099	6.2
97.02899	0.7
98.06065	0.4
99.04469	4.6
104.10690	0.4
107.06094	0.4
108.06871	0.5
111.04463	0.4
117.05476	4.5
120.01127	0.5
127.03922	0.6
133.06084	0.3
134.04517	0.5
134.08080	0.4
137.19574	0.3
139.03897	0.3
147.09235	0.3
175.08682	0.5
193.09726	100.0
194.08087	0.3
195.04805	0.7
209.09184	1.5
212.07483	1.3
219.07564	0.7
233.42308	0.3
237.08611	1.3
252.17056	28.0
260.09564	1.4
278.08554	0.4
278.12338	1.4
296.13696	0.8
296.16077	13.5
305.96747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1602
Annotation	Butralin
Peak:m/z	Relative Intensity
55.74413	0.3
56.57590	0.3
57.03426	0.3
61.02940	0.5
64.83634	0.3
69.03436	0.4
73.02867	0.3
79.23808	0.3
79.79870	0.3
99.04462	0.3
161.09541	0.4
162.10251	36.0
174.10269	0.5
200.91376	0.4
204.11305	0.8
254.98785	0.3
260.22195	0.3
278.15012	2.7
296.13031	5.8
296.16028	100.0
296.60416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68415	0.3
53.62616	0.3
57.03440	0.6
57.79307	0.3
64.98965	0.3
69.03442	0.5
72.14486	0.3
73.97163	0.3
115.75129	0.4
161.09506	0.5
162.10255	36.5
174.10291	0.6
204.11420	0.6
278.14951	2.1
296.16034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
67.89800	0.3
69.03434	1.3
71.73330	0.3
78.03935	0.3
85.75830	0.3
90.51600	0.3
99.04470	0.5
133.45535	0.4
147.07892	0.5
162.10255	36.4
174.10277	0.4
200.88882	0.3
204.11351	0.6
217.16768	0.4
242.71112	0.4
278.15024	2.8
278.17578	0.3
293.08975	0.3
296.12921	7.2
296.16022	100.0
305.87695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1604
Annotation	Butralin
Peak:m/z	Relative Intensity
57.03432	0.4
57.35611	0.4
60.36798	0.3
69.03421	0.6
71.04996	0.5
72.12432	0.3
72.94725	0.4
81.36877	0.3
107.01613	0.4
120.50984	0.4
124.68353	0.4
154.65239	0.5
162.10252	36.9
174.10216	0.8
202.53505	0.4
205.08456	0.4
234.36742	0.5
241.63260	0.4
278.14975	2.6
295.73874	0.4
296.16037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
57.35611	0.4
60.36798	0.3
69.03421	0.6
71.04996	0.5
72.12432	0.3
72.94725	0.4
81.36877	0.3
107.01613	0.4
120.50984	0.4
124.68353	0.4
154.65239	0.5
162.10252	36.9
174.10216	0.8
202.53505	0.4
205.08456	0.4
234.36742	0.5
241.63260	0.4
278.14975	2.6
295.73874	0.4
296.16037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73010	0.2
54.27772	0.2
55.05497	1.2
55.97367	0.2
60.08155	0.6
68.04996	0.4
69.03420	0.7
71.04968	0.3
84.08099	0.4
85.02884	1.1
86.09696	0.4
87.04453	0.5
87.05602	0.5
88.05885	0.3
95.06089	7.4
97.02850	1.2
98.06090	1.0
99.04456	5.7
104.10773	2.0
107.06067	1.1
107.49330	0.3
111.04435	0.4
114.05436	0.3
116.07030	0.6
117.04738	0.4
117.05498	10.1
120.01157	0.7
127.03923	0.5
128.07066	0.7
133.06136	0.3
134.08122	0.6
136.31319	0.3
139.03922	0.5
145.06085	0.3
158.08070	0.3
166.08694	0.3
167.05319	0.3
174.07605	0.4
175.08699	0.5
193.09724	100.0
194.04463	0.3
194.08144	1.9
195.04828	0.7
209.09248	2.4
212.07477	2.3
219.07663	2.8
237.08598	2.5
252.17065	27.8
260.09521	1.9
260.11722	0.6
278.12595	2.9
279.05270	0.4
296.06564	0.7
296.11102	0.5
296.13416	1.0
296.16083	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
60.08161	0.3
61.77652	0.2
80.03400	0.2
80.05011	0.3
95.05534	0.4
95.06094	6.9
107.06062	0.4
108.06846	0.4
114.05557	0.3
127.42573	0.2
132.30713	0.2
137.05949	0.6
147.09148	0.3
151.07484	0.3
154.08627	1.1
155.08922	1.5
164.07066	0.5
166.08595	0.4
174.26915	0.3
175.08722	0.5
178.08647	0.5
193.09720	100.0
209.09225	1.8
236.09274	0.3
237.08804	0.3
252.17064	29.0
254.63152	0.3
278.09866	0.5
296.11249	15.7
296.16031	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95850	0.3
53.93828	0.3
54.21815	0.3
56.28846	0.3
69.03440	0.6
79.87290	0.3
84.96400	0.3
93.44917	0.4
99.04539	0.4
160.14844	0.5
162.10252	34.6
171.81592	0.4
174.10310	0.8
177.93250	0.4
204.11313	1.3
230.13074	0.4
231.55447	0.4
266.31476	0.3
278.14948	1.8
296.16037	100.0
311.25986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1642
Annotation	Nuciferine
Peak:m/z	Relative Intensity
53.03952	0.3
60.44889	0.4
60.48804	0.4
63.52519	0.3
69.05156	0.4
90.57432	0.4
91.05483	2.1
93.07040	5.5
95.04964	1.0
103.05480	2.8
105.45700	0.4
121.06506	100.0
156.06004	0.4
162.10248	0.7
175.64107	0.4
176.10693	32.7
180.02010	0.4
206.98871	0.4
224.07170	0.7
296.05548	2.8
296.09210	9.0
296.16412	41.2
300.92764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1646
Annotation	Nuciferine
Peak:m/z	Relative Intensity
60.11259	0.3
60.95221	0.3
88.98257	0.3
90.41848	0.3
91.05470	2.2
93.07038	6.9
95.04982	0.4
103.05486	2.9
105.04507	0.6
113.20082	0.3
120.69084	0.4
121.06506	100.0
136.07561	0.9
136.95497	0.4
176.10699	35.9
177.05429	0.4
218.08269	0.4
296.09149	1.5
296.16412	46.3
302.30582	0.4
304.34390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
60.44889	0.4
60.48804	0.4
63.52519	0.3
69.05156	0.4
90.57432	0.4
91.05483	2.1
93.07040	5.5
95.04964	1.0
103.05480	2.8
105.45700	0.4
121.06506	100.0
156.06004	0.4
162.10248	0.7
175.64107	0.4
176.10693	32.7
180.02010	0.4
206.98871	0.4
224.07170	0.7
296.05548	2.8
296.09210	9.0
296.16412	41.2
300.92764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11259	0.3
60.95221	0.3
88.98257	0.3
90.41848	0.3
91.05470	2.2
93.07038	6.9
95.04982	0.4
103.05486	2.9
105.04507	0.6
113.20082	0.3
120.69084	0.4
121.06506	100.0
136.07561	0.9
136.95497	0.4
176.10699	35.9
177.05429	0.4
218.08269	0.4
296.09149	1.5
296.16412	46.3
302.30582	0.4
304.34390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11259	0.3
60.95221	0.3
88.98257	0.3
90.41848	0.3
91.05470	2.2
93.07038	6.9
95.04982	0.4
103.05486	2.9
105.04507	0.6
113.20082	0.3
120.69084	0.4
121.06506	100.0
136.07561	0.9
136.95497	0.4
176.10699	35.9
177.05429	0.4
218.08269	0.4
296.09149	1.5
296.16412	46.3
302.30582	0.4
304.34390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
53.42492	0.5
54.71450	0.6
55.01882	1.0
55.05511	3.1
55.58516	0.6
57.07084	9.5
59.71059	0.5
65.37803	0.5
67.05510	9.4
67.62655	0.6
69.07071	5.2
70.06561	0.6
71.08620	3.2
72.08948	0.8
79.05494	3.2
81.07056	12.0
83.04958	0.5
83.08614	2.5
91.05435	0.9
93.07062	5.8
95.08611	11.2
96.08127	0.9
97.10168	2.6
105.07020	1.3
107.08616	3.1
108.08133	5.1
109.10166	5.6
110.06056	13.8
111.06847	0.8
111.08071	1.4
112.07610	3.3
113.09644	0.7
119.08572	1.6
121.10156	3.0
123.11714	2.7
124.07594	12.6
127.11198	2.8
131.58604	0.6
133.10104	1.2
135.11705	3.2
137.05959	1.2
138.06340	1.0
138.09109	1.1
143.23914	0.8
145.10123	0.9
147.11671	0.8
149.09599	0.8
149.13203	1.3
153.12764	0.7
159.55560	0.7
161.13268	1.0
169.12166	0.9
186.57886	0.8
189.98996	0.7
222.22188	5.7
232.20488	0.9
233.22650	0.8
240.69414	0.6
243.21147	1.1
244.29240	0.6
250.21645	75.7
260.20361	1.0
261.22079	3.2
278.21140	100.0
279.23169	8.5
296.22302	13.5
296.25873	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.4
55.05516	19.3
55.32687	3.2
57.03434	8.7
57.07080	48.1
59.34090	3.5
62.88328	3.4
67.05514	61.4
67.80202	3.6
69.07078	54.0
70.24447	3.3
71.05008	4.1
71.08640	41.0
79.05496	27.0
81.07057	89.2
83.08623	27.6
85.10179	8.0
91.05466	4.6
93.07043	35.6
95.08604	57.2
97.06535	10.0
97.10158	17.3
99.08074	5.0
105.07005	8.2
107.08580	30.7
109.10141	25.9
113.88245	4.3
121.10133	36.5
123.08092	7.5
123.11718	24.9
127.11197	7.4
131.08589	8.6
135.11699	32.1
139.11176	8.1
141.12717	23.3
145.10158	4.7
149.13254	8.4
153.12759	25.9
163.14854	5.3
183.13803	5.2
243.21074	8.3
251.23718	16.8
261.21951	29.4
277.17639	4.2
278.21661	6.4
278.24695	5.1
279.23175	100.0
296.23026	11.5
296.25793	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22096	2.2
55.01879	3.5
55.05524	5.8
57.07081	32.6
58.06606	2.8
67.05512	39.3
69.07077	33.4
71.04974	2.9
71.08635	13.6
77.22849	2.4
79.05490	15.6
81.07064	56.7
83.05025	2.5
83.08616	14.9
85.10190	4.6
91.05465	6.4
93.07053	25.8
95.08608	55.6
97.06526	6.1
97.10180	16.2
105.03717	3.2
105.07009	3.9
107.08607	19.3
109.07658	3.1
109.10185	30.1
111.08040	5.6
121.10155	22.8
123.08106	2.7
123.11717	12.5
124.56549	2.8
131.08615	3.5
133.10146	10.9
135.08096	2.3
135.11661	19.2
135.27599	2.6
137.13248	4.3
147.11690	4.8
149.13243	4.3
153.12689	4.2
167.14302	3.5
169.12225	3.0
180.31416	3.3
217.68681	2.8
233.22691	3.8
243.21129	10.5
261.22116	19.2
278.24832	16.4
279.23163	56.3
296.09558	3.0
296.17249	3.6
296.25790	100.0
296.28827	5.3
307.76181	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62260	2.2
55.05510	12.8
57.03437	23.0
57.07086	17.9
57.07314	2.3
58.22247	1.9
67.05504	35.2
69.03439	3.2
69.07068	22.4
69.60059	2.5
71.05000	10.6
74.32978	2.3
79.05486	12.2
81.07057	70.8
83.08624	21.9
85.06533	22.5
91.05493	4.3
93.07049	32.4
95.08607	67.7
97.06538	11.1
97.10179	16.3
105.07048	11.8
107.08619	22.0
109.10146	48.1
111.08051	4.0
113.09647	3.9
119.08582	10.8
120.49473	2.4
121.10122	38.6
123.11681	19.0
127.11212	2.6
128.54457	2.3
133.10107	6.1
135.11691	19.2
137.13251	5.6
139.11185	6.0
144.04807	2.7
145.10136	3.4
147.11703	14.3
149.13248	4.9
161.12036	3.2
161.13210	21.5
173.13219	3.8
175.14819	2.5
177.16393	3.4
189.16325	4.9
194.23039	2.6
200.10587	2.7
204.10645	2.9
223.17044	3.9
243.21135	14.6
261.22244	20.2
279.23163	100.0
282.90042	2.8
296.22766	5.6
296.25824	52.1
296.29379	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
55.05516	7.9
57.03439	2.6
57.07084	100.0
57.49783	1.2
59.08111	1.2
67.05184	2.0
67.05512	39.0
69.07073	19.9
71.01331	1.4
71.05012	2.5
71.08637	2.8
73.10660	1.7
79.05496	6.7
81.07063	44.4
82.29324	1.3
83.04977	1.6
83.08621	8.8
83.09084	1.4
85.10182	1.5
91.05466	2.6
92.20951	1.6
93.07050	11.6
95.08614	45.2
97.06561	2.6
97.10176	3.7
105.06985	2.8
107.08582	12.4
109.10162	40.0
111.08098	1.7
119.08568	8.7
121.10120	12.9
123.11707	14.5
125.09621	7.8
127.11191	41.8
127.48318	1.8
131.08574	2.8
133.10120	2.5
135.11673	22.4
137.09616	3.7
137.13281	3.2
149.13261	3.3
153.12746	9.6
155.14339	5.7
161.13223	3.0
169.12239	30.0
170.15349	6.2
181.12221	2.2
181.15898	1.7
184.87852	1.6
193.29671	1.7
223.16867	2.0
233.22720	1.6
243.21005	5.5
251.23639	1.8
261.22107	12.6
278.24802	2.0
279.23175	85.0
296.25821	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40269	1.0
55.05512	6.8
57.03438	6.1
57.07084	2.9
59.36063	1.2
67.05177	2.1
67.05512	43.2
69.07073	11.4
71.08637	46.7
71.62674	1.4
79.05502	10.6
79.76607	1.2
81.07066	79.2
83.04976	2.0
83.08611	8.9
84.66550	1.4
85.06534	2.5
91.05478	6.4
93.07026	10.2
95.07998	3.2
95.08611	100.0
97.06540	2.5
97.10166	2.8
99.08101	32.0
105.07027	7.7
107.08604	8.6
109.09438	2.2
109.10168	41.4
119.08610	6.4
121.10127	10.3
123.11727	12.7
127.11206	12.4
133.10117	2.5
135.11697	7.2
135.98921	1.4
137.13293	5.8
141.09172	1.9
145.10172	3.3
147.11693	17.3
149.13283	1.9
151.14771	1.5
153.12715	3.3
161.13211	3.5
163.14803	6.1
165.12657	2.3
173.13326	2.0
181.15926	5.3
196.99030	1.5
198.18587	2.7
209.15318	1.7
223.16869	1.6
243.21048	5.2
261.22156	7.0
279.23193	82.8
296.25839	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	24.9
55.05513	14.8
57.07071	17.7
67.05507	40.3
69.07066	54.7
70.18316	2.2
71.04992	3.6
71.08649	2.9
75.55753	2.0
77.02354	1.9
79.05492	24.3
81.07060	56.8
83.04977	12.2
83.08622	10.4
83.75096	2.1
85.06542	5.3
86.57363	2.4
89.55602	2.4
91.05466	2.7
93.07054	30.8
95.08601	53.6
97.06522	13.7
97.10157	11.8
99.08089	2.5
105.07027	2.5
107.08628	20.3
109.10159	24.2
111.08055	2.6
111.11723	2.7
118.87322	2.4
119.08615	2.8
121.10130	27.7
123.11704	16.5
127.11201	6.0
131.08582	5.5
133.10117	2.9
135.11670	11.5
137.09592	3.3
137.13350	3.1
139.11183	61.3
145.10120	2.6
149.09650	3.2
149.13232	9.4
150.99173	2.3
153.12659	4.2
159.11577	2.4
167.14308	9.6
184.13429	3.7
243.21008	4.9
251.23624	3.8
261.22101	10.8
279.23193	100.0
286.13492	2.5
296.22690	4.8
296.25812	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05511	8.3
57.03436	3.3
57.07075	18.1
67.05182	3.4
67.05511	63.6
69.07063	17.5
69.49386	2.0
71.08640	2.3
72.70638	1.6
77.86548	1.6
79.05488	8.5
81.00568	2.3
81.07064	88.8
83.04990	2.1
83.08639	13.4
85.10192	57.7
91.05498	10.6
93.07045	12.7
95.08005	2.8
95.08609	75.9
97.06553	2.9
97.10179	3.9
98.75047	2.0
99.08081	3.3
104.16669	2.2
105.07051	4.4
107.08587	14.8
109.10153	57.9
111.08076	4.0
113.09642	53.2
119.08627	4.1
121.10145	13.6
121.91595	1.9
123.11710	21.6
131.08598	2.3
133.10135	26.6
135.11688	8.7
137.13231	4.2
141.12744	10.0
145.10190	2.4
147.11702	3.5
149.09608	2.2
149.13225	15.7
151.11172	4.3
155.10657	7.8
163.14781	2.1
167.14293	9.7
173.13385	1.8
184.16927	3.2
187.09627	1.8
241.28954	2.0
243.21132	4.0
245.66321	1.7
260.04102	2.1
261.22156	11.1
279.23193	100.0
296.25833	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20592	1.3
55.01879	23.2
55.05513	15.6
57.03429	2.2
57.07076	8.6
58.03966	1.6
59.90686	1.6
66.89853	1.5
67.05508	36.9
69.07072	58.5
71.05001	3.6
71.08610	1.7
79.05518	17.3
81.07063	42.2
83.04980	8.0
83.08617	40.7
91.05468	3.4
93.07045	33.1
95.08611	36.2
97.06528	12.7
97.10175	10.6
107.08607	26.2
109.10143	25.6
110.44962	2.0
111.08075	9.2
117.06975	2.0
121.10137	19.8
123.11700	8.6
124.11253	1.8
125.09576	3.6
131.08589	2.0
133.10164	2.6
135.08070	8.6
135.11702	26.4
137.09651	2.2
137.13292	2.9
145.10107	3.3
149.09589	2.5
149.13263	7.0
151.14830	2.6
153.12733	52.3
153.13930	2.9
161.13190	1.8
163.11110	2.2
170.11748	7.4
173.13181	3.0
179.14279	1.9
181.12268	2.1
233.22617	10.4
243.21069	10.5
251.23709	2.8
261.22116	15.7
279.23175	100.0
296.25845	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55674	2.1
52.19304	2.4
55.01878	18.6
55.05515	18.2
55.93059	2.5
57.07069	14.2
67.05517	49.7
67.49551	2.5
69.07074	54.4
69.76288	2.5
71.08618	5.4
78.83776	2.4
79.05491	18.6
81.07060	63.6
83.04992	6.3
83.08623	36.9
85.06539	3.2
85.10182	6.7
91.05460	2.9
92.21552	2.7
93.07037	29.2
95.08613	59.8
97.06527	6.8
97.10175	11.3
107.08595	34.3
109.10164	41.9
111.08052	3.3
113.09637	4.1
117.07053	3.9
119.08568	5.9
121.10159	26.4
123.11709	10.8
125.09651	5.9
131.08624	4.2
133.10146	4.0
135.11684	27.3
137.13290	6.1
149.09550	3.6
149.13261	11.5
153.12749	39.3
162.54771	3.1
163.11259	3.5
163.14850	5.2
167.14351	2.8
170.11778	5.3
233.22566	4.1
242.85925	3.1
243.21094	12.2
251.23834	4.8
261.22186	16.7
279.23199	100.0
296.25830	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14307	4.7
52.40570	4.2
54.35820	4.2
54.93988	5.1
55.01874	13.4
55.05507	25.6
57.07085	89.4
67.05508	76.5
69.07063	48.5
71.08626	25.3
72.08961	9.8
79.05490	41.7
81.07066	89.6
83.08639	48.4
86.85936	5.3
93.07031	60.9
94.07412	8.4
95.08614	88.5
96.08933	5.8
97.06521	7.7
97.10171	14.4
99.08094	8.3
107.08611	43.4
109.10136	57.7
111.08118	8.2
121.10126	78.1
123.11701	9.6
127.11205	33.1
131.08640	5.8
135.11694	45.5
139.07594	7.5
145.10211	6.8
149.13304	11.9
151.11250	7.7
151.14847	8.2
161.13290	7.6
163.14819	6.1
167.14297	9.6
169.12221	42.1
178.05933	6.3
179.14265	6.7
208.79990	6.2
213.35693	6.0
233.22600	36.4
243.21036	9.1
261.22076	25.1
278.22012	28.5
279.23242	100.0
296.25851	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
55.05518	9.4
57.03426	6.4
57.07083	85.9
61.52623	1.4
67.05509	51.8
69.07070	19.7
71.05000	2.3
71.08636	64.0
71.92570	1.5
79.05505	12.2
81.07063	65.5
83.05007	1.8
83.08644	13.2
85.06551	18.5
85.36075	1.7
91.05485	2.9
91.27557	1.5
93.07034	16.3
95.08611	59.5
97.06573	3.5
97.10162	9.3
107.08590	7.5
109.10162	33.8
112.23493	1.6
113.09641	14.4
119.08586	2.9
121.10139	28.0
123.08070	10.4
123.11716	23.9
127.11194	3.8
131.08485	2.1
133.10072	1.9
135.11671	12.5
137.09583	2.0
137.13258	3.8
139.11176	17.7
139.44843	1.7
141.12746	49.6
145.10127	2.1
145.78442	1.9
149.13268	2.4
151.14806	2.2
156.13846	2.1
159.11658	2.6
161.13260	4.0
169.15871	7.2
173.13338	2.3
179.14268	2.0
181.15794	1.9
183.13791	26.4
195.17467	6.5
232.25667	1.6
233.22656	2.2
243.21078	2.6
247.46657	2.0
251.23694	3.1
261.22049	15.8
278.24802	3.1
279.23184	100.0
296.25848	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66833	3.0
51.76230	3.0
54.47174	3.0
55.01878	4.4
55.05521	26.8
57.07083	57.8
61.66459	3.3
63.62036	4.1
67.05518	53.5
69.07072	70.7
71.08629	32.3
75.97800	3.6
79.05508	16.8
81.07065	76.4
83.04977	4.8
83.08636	47.4
85.06538	6.3
85.10176	7.4
86.10519	5.5
93.07065	45.0
95.08610	56.2
97.06518	9.3
97.10149	33.9
100.07629	6.9
101.89116	3.5
105.07024	3.6
107.08622	24.2
109.10153	33.3
109.57436	3.6
111.08114	14.7
111.11703	7.0
113.09636	7.5
114.09160	6.9
121.10150	31.7
123.11746	19.2
125.09641	9.0
127.11214	7.8
127.99873	3.9
133.10144	5.8
135.08078	3.8
135.11725	26.9
139.11250	6.9
149.13268	16.6
151.14719	4.6
153.12759	5.5
163.13435	4.2
163.14877	4.3
170.15424	5.1
233.22664	5.4
243.21123	4.7
261.22131	6.1
261.25839	8.6
279.23203	69.3
279.26822	16.8
296.25818	57.9
296.29492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34710	3.7
55.01879	5.9
55.05522	38.2
57.07085	87.5
65.24531	4.6
67.05511	46.8
69.07059	78.5
71.04979	9.6
71.08626	29.3
72.04524	5.2
75.14552	4.3
79.05489	20.2
81.07065	80.7
83.08612	51.3
85.10191	7.9
92.51601	4.7
93.07040	40.8
95.08597	97.0
97.06522	22.4
97.10159	34.0
97.54929	4.9
99.08114	5.3
100.07626	11.5
107.08582	26.4
109.10152	48.2
111.08062	25.1
114.09147	7.5
119.08570	5.4
121.10146	47.9
123.11688	27.8
125.09695	9.2
127.11198	21.2
135.11668	29.1
139.11119	8.2
145.10190	6.8
149.13281	20.5
153.12730	8.2
159.11621	4.8
163.14801	7.1
261.22235	11.2
261.25848	20.9
279.23288	93.8
279.26523	11.1
296.25833	74.3
296.29498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91807	1.5
64.77017	1.5
69.96176	11.1
85.78938	1.7
91.06589	1.9
96.56183	1.7
119.01912	13.3
121.01690	2.7
121.53363	1.7
131.96146	11.6
142.03465	4.0
149.97237	12.9
150.82808	1.7
207.96295	3.8
216.50673	1.8
231.96201	10.3
249.97310	44.2
250.99231	10.1
256.96710	4.4
257.96750	2.7
258.96423	9.1
261.03171	12.3
262.03235	3.5
262.49991	16.9
263.02753	6.8
273.97278	34.0
274.97714	2.6
276.97336	2.2
291.98364	100.0
301.01157	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31176	0.5
54.27289	0.4
58.06596	1.0
60.50937	0.4
65.87156	0.5
69.03416	1.0
69.07070	0.6
70.06586	0.6
79.05505	1.0
81.07055	0.6
84.08138	2.9
85.02924	0.6
86.09711	0.6
87.04449	0.7
93.52694	0.4
98.42776	0.5
98.98467	100.0
99.04462	2.4
100.04785	0.8
107.04946	11.4
111.04450	5.0
116.99515	2.9
117.05499	0.8
121.06507	1.1
123.04414	0.7
135.04419	39.0
136.07600	0.6
137.05986	1.2
138.06294	0.7
139.03906	28.8
150.09186	0.6
153.05461	85.9
163.03868	4.4
181.04961	18.0
183.31468	0.5
199.06003	7.6
208.04097	0.6
210.05756	0.7
237.09016	0.6
265.08560	0.6
297.11459	2.0
297.14725	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
54.44238	0.6
56.83854	0.6
69.03421	1.2
74.48338	0.8
79.05486	2.9
81.03421	0.7
81.07069	8.7
85.06061	0.7
97.02876	1.3
109.02874	0.9
120.08099	0.8
121.06576	0.8
125.06021	5.7
127.03904	0.7
151.67502	0.8
153.05455	3.9
156.22740	0.9
167.58212	0.8
171.06528	0.9
174.61472	0.7
177.07018	1.0
191.08577	1.2
205.06493	21.3
209.09637	2.9
219.08084	1.2
222.06812	9.2
233.05963	37.0
234.06668	2.9
237.09111	36.4
239.07094	1.3
247.07478	0.9
250.06247	10.4
251.07028	1.3
254.09352	5.7
256.26471	0.8
265.08578	100.0
266.09180	1.2
267.06573	2.8
282.08813	9.1
297.11224	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
58.67091	0.5
62.63259	0.4
66.55913	0.4
74.48660	0.4
83.34118	0.4
83.92701	0.4
84.27286	0.4
160.62111	0.5
165.06952	2.1
166.07797	2.3
177.07030	0.6
178.07730	2.0
178.55513	0.5
179.08543	4.1
181.06506	0.7
181.10088	3.4
189.07008	1.9
190.07768	0.6
191.08557	13.4
194.07265	4.3
195.08040	1.1
202.07796	0.5
205.06487	7.8
206.07164	0.6
207.08046	18.3
208.08868	3.7
209.09610	11.1
209.17084	0.6
217.06476	1.0
218.07240	0.9
219.08006	13.3
220.08826	0.9
221.05988	2.8
222.06754	12.2
223.07474	0.8
233.05893	6.1
235.07489	6.5
236.08321	6.5
237.09087	20.3
239.07033	2.2
247.07504	4.8
248.08376	0.7
249.05511	0.5
250.06264	3.5
251.07089	0.9
251.10732	0.6
253.08600	1.1
254.09352	0.9
255.10164	3.4
263.07019	3.2
264.07776	4.2
265.08575	57.4
266.09320	1.8
267.06506	6.2
279.09967	1.0
282.08844	48.6
297.11197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28322	0.4
54.33844	0.4
54.83915	0.4
55.62040	0.4
56.43644	0.4
71.35856	0.4
72.04509	0.5
84.04047	0.6
84.04514	13.6
87.04478	1.1
88.36260	0.4
91.05473	2.8
95.04966	2.1
98.06039	0.7
116.07108	0.7
117.37672	0.4
119.04934	4.6
130.05008	8.8
137.06029	0.7
138.06604	3.1
151.07538	100.0
163.92336	0.5
168.10216	7.0
174.36497	0.5
234.11194	2.8
240.12292	1.7
251.13937	0.7
276.73889	0.6
279.09418	0.5
280.11752	9.0
294.92178	0.5
297.08755	2.7
297.11334	1.4
297.14404	19.7
298.06720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1696
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03968	9.5
55.01877	5.9
55.05503	5.7
57.03441	17.9
57.07094	4.8
62.72569	3.3
64.49467	4.7
67.05511	52.8
69.07058	10.1
79.05494	28.7
81.03413	52.8
81.07059	83.8
83.04984	7.8
83.08606	17.4
91.05495	29.1
93.07048	45.1
95.04978	22.2
95.08614	56.8
102.48092	4.1
105.07030	15.2
107.04964	41.7
107.08604	27.2
109.10152	6.8
111.08099	4.2
117.07010	18.4
121.06525	5.5
121.10164	8.9
123.08090	40.3
131.08559	18.0
133.10182	5.7
135.11687	34.3
140.96292	4.6
141.07010	7.4
145.06500	27.3
145.10185	9.3
149.13237	8.0
159.11705	30.4
169.10178	8.5
177.12767	9.8
187.11159	20.1
195.13727	8.5
205.06551	4.8
223.13171	6.2
237.09167	17.7
241.14331	36.7
250.06349	5.0
256.26392	10.2
265.08627	32.7
276.33255	4.1
279.15887	39.3
280.23428	6.3
282.08850	15.7
297.11636	44.4
297.16989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2055
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
55.01881	2.1
55.05516	18.8
57.07080	41.6
58.07407	5.4
59.05017	1.9
67.05510	35.6
68.05830	9.7
68.80837	2.0
69.07072	43.5
70.07383	3.3
71.04984	4.2
71.08640	27.1
71.36311	2.0
71.76144	2.9
72.08959	9.2
79.05499	12.2
81.07056	61.4
82.07391	12.4
83.04964	3.5
83.08614	21.1
85.10178	3.7
91.05464	5.1
93.07027	29.0
94.07380	4.9
95.08597	45.6
96.08932	14.5
97.06532	11.2
97.10166	13.4
99.08088	9.5
107.08584	28.5
108.08904	3.4
109.06510	2.9
109.10150	28.5
110.10485	5.6
111.04428	36.0
111.08058	4.7
119.08561	4.1
121.06457	2.8
121.10126	28.9
122.10466	12.6
123.08039	9.7
123.11725	20.0
124.12072	3.0
125.05939	22.9
125.09629	2.6
127.07539	4.1
131.08574	5.0
133.10149	9.5
135.08063	10.3
135.11687	19.7
136.12022	3.7
137.13293	3.0
139.11188	2.4
141.12767	12.0
142.13110	9.1
145.10110	9.1
147.11661	5.4
149.09625	5.1
149.13239	16.1
151.14857	2.4
153.08919	2.5
159.11693	4.8
163.11182	18.0
163.14844	5.5
165.12788	3.3
167.10670	4.2
173.13199	3.6
177.12770	17.2
181.12248	5.5
183.13762	4.0
184.14153	4.0
188.31560	2.3
191.14287	3.9
205.19511	9.4
215.17952	9.4
233.19026	18.6
234.22945	5.3
244.21237	3.2
251.20021	46.5
256.26346	11.4
262.22424	13.1
279.19568	100.0
279.22916	11.3
280.23474	46.1
297.20755	34.5
297.26169	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76215	0.6
54.40910	0.5
55.05522	1.2
57.07076	1.0
61.57786	0.5
67.05505	3.6
69.07079	1.2
71.04992	8.0
77.85980	0.6
79.05476	4.4
81.07069	8.1
81.58205	0.6
83.08623	0.7
84.35821	0.6
85.06542	12.1
91.05480	3.5
93.07043	12.7
95.04929	0.9
95.08608	8.6
96.08945	1.2
102.44254	0.6
104.57735	0.8
105.07050	11.4
107.08605	17.3
109.10149	6.5
111.08073	0.8
117.07021	2.6
119.08585	6.9
119.09298	0.8
121.10136	6.3
123.11736	0.8
129.07002	0.8
131.08560	6.9
133.10126	9.1
135.11707	1.4
142.07762	0.7
143.08562	7.0
145.10135	22.0
147.11679	6.8
155.08549	2.8
157.10150	11.5
159.11684	15.6
161.13217	1.3
169.10127	4.0
171.11705	10.8
173.13284	7.6
175.14774	0.8
181.10077	1.1
183.11723	6.6
185.13275	5.3
187.14835	0.8
189.12741	1.4
191.14465	0.9
195.11705	4.2
197.13264	8.6
199.14847	6.5
201.12859	1.2
203.14275	4.8
209.13261	4.0
211.14810	4.5
213.16399	13.7
215.14336	1.4
217.15984	0.8
223.14902	7.1
225.16501	0.9
227.17923	7.7
237.16429	2.8
239.18042	6.8
241.15900	2.7
250.17041	1.0
251.17908	0.9
253.19499	10.0
255.17416	2.9
255.21045	2.6
259.61374	0.8
262.71616	0.7
279.21048	14.9
279.23816	0.8
280.23532	5.0
297.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	CHEBI:70044
Peak:m/z	Relative Intensity
52.09755	1.7
61.51383	1.7
67.05510	9.2
68.05831	2.4
69.07071	4.1
70.32698	2.0
71.04998	12.5
72.92340	1.7
79.05505	2.6
81.07070	13.6
82.07397	3.4
85.06533	11.2
85.46327	2.2
91.05447	7.5
93.07045	13.8
95.08622	15.4
96.08922	2.5
99.08110	2.4
105.07027	9.8
105.99548	2.1
107.08601	15.5
109.10164	9.3
110.10502	4.0
117.07036	2.8
119.08571	3.9
121.10151	9.3
131.08597	2.9
133.10149	9.3
135.11623	2.1
145.10089	21.7
145.27321	2.0
147.11674	4.1
157.10170	4.6
159.11703	11.3
171.11578	2.7
173.13272	3.7
183.11745	2.2
197.13322	9.4
203.14438	2.9
209.13254	2.6
211.14874	2.8
211.69366	2.0
213.16382	8.9
223.14746	2.9
227.17897	7.8
239.17900	4.4
253.19400	8.6
264.60556	2.3
274.66766	2.1
279.21057	11.7
280.23480	24.5
297.22177	100.0
297.25903	8.5
316.23303	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
52.47292	1.5
55.05514	2.0
56.43007	1.5
57.07078	2.9
66.33578	1.6
67.05502	8.8
69.07066	3.6
70.74567	1.4
71.04976	6.2
71.08593	1.8
79.05494	2.8
81.07071	12.1
83.08630	2.7
85.06532	9.0
91.05466	2.8
92.20995	2.6
93.07040	16.1
95.08601	16.5
105.07018	10.7
107.08624	16.7
109.10173	11.5
117.07043	3.2
117.15970	1.6
119.08580	7.3
121.10139	8.0
131.08553	9.3
133.10127	3.8
135.11665	2.9
143.08565	3.5
145.10112	19.5
147.11684	3.2
149.13342	1.8
157.10133	12.7
159.11658	16.5
169.10074	3.4
171.11662	7.9
173.13239	6.6
185.13206	3.2
189.12752	2.1
195.11760	2.3
197.13313	8.0
199.14809	2.9
203.14247	2.2
211.14713	3.2
213.16322	12.0
215.14351	2.2
223.14896	6.4
227.17969	10.9
237.16324	2.8
239.17952	9.6
251.17894	2.3
253.19476	13.4
255.21239	1.8
256.26376	5.8
264.26691	1.8
279.21085	11.0
282.08530	2.5
297.22137	100.0
298.25751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
55.52398	1.3
57.07072	3.0
67.05499	7.4
69.07063	3.1
71.04985	6.3
71.08616	2.5
79.05500	2.9
81.07069	16.0
83.05002	1.9
83.08631	6.3
85.06540	10.0
85.10181	1.8
91.05470	3.6
93.07055	11.8
95.08607	13.9
96.11082	1.5
97.10174	1.8
105.07030	8.4
107.08589	17.7
109.10146	10.6
111.08116	2.1
113.09702	1.7
115.32268	1.5
117.07040	2.4
119.08573	8.1
121.10149	8.1
131.08563	6.5
133.10110	6.4
135.11696	3.6
143.08568	7.5
145.10098	18.6
147.11667	6.8
149.09660	2.6
151.11229	1.7
157.10091	11.8
159.11633	13.2
163.07529	1.7
169.10152	2.2
171.11670	8.0
173.13208	7.0
183.11719	6.5
185.13277	2.6
195.11658	2.5
197.13240	9.1
199.14790	3.5
203.14281	1.6
209.13112	2.3
211.14821	2.3
213.16406	8.6
215.14355	3.6
223.14879	6.3
227.17839	3.0
235.93230	1.6
237.16389	3.5
239.18071	3.1
240.71783	1.5
253.19464	7.2
269.18991	2.1
279.20862	13.7
280.23532	6.9
297.22125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	CHEBI:70044
Peak:m/z	Relative Intensity
54.42751	1.1
55.05507	1.8
57.07105	1.4
60.04322	1.1
67.05509	5.4
69.07085	2.4
71.04995	3.2
79.05489	3.0
81.07059	12.5
83.08636	2.9
85.06554	7.4
91.05495	2.3
93.07044	10.0
95.08613	10.6
105.07044	9.9
107.08620	12.7
109.10151	7.0
117.07030	2.4
119.08584	3.0
120.86845	1.5
121.10147	7.8
131.08574	6.8
133.10135	8.6
135.11719	5.8
135.84380	1.2
137.09634	2.8
140.90276	1.2
143.08594	2.8
145.10138	16.4
147.11690	6.7
150.48227	1.3
157.10098	3.2
159.11720	9.9
161.13239	3.1
171.11697	6.1
173.13271	5.4
176.17496	1.3
177.12543	1.5
183.11656	3.2
185.13370	1.9
195.11664	2.9
197.13260	5.6
199.14792	2.2
201.12758	1.5
203.14236	2.0
209.13164	1.6
213.16315	9.2
215.14404	1.7
223.14774	5.6
227.17998	3.0
237.16533	1.9
239.17920	8.1
241.15923	2.6
253.19464	7.1
255.17383	1.4
256.26187	2.5
263.19983	2.8
269.18948	1.5
279.20981	10.8
280.22989	5.5
297.07953	1.6
297.11279	8.1
297.22141	100.0
297.25345	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.59134	1.2
52.34179	1.4
55.05515	6.8
55.97494	1.1
57.07074	3.6
58.07407	1.3
67.05518	11.0
69.07063	9.4
71.04982	2.8
71.08624	8.8
79.05504	7.3
81.07072	19.3
83.08630	2.9
85.06544	10.4
85.10183	2.4
91.05486	3.1
93.07036	12.2
95.08607	19.1
96.08902	1.9
97.10111	1.4
105.07024	10.3
107.08607	18.4
109.10181	11.7
117.07034	2.2
119.08572	8.8
121.10130	13.1
123.11671	3.5
125.88239	1.5
131.08554	6.2
133.10138	11.1
135.11690	7.2
141.12790	1.7
143.08521	5.0
145.10115	22.0
147.11684	8.6
147.84062	1.4
149.13237	3.0
155.08563	2.2
156.14630	2.3
157.10146	10.8
159.11703	17.7
169.10086	2.0
171.11688	9.3
173.13264	6.3
183.11688	6.4
185.13297	3.2
191.14223	2.4
193.35760	1.5
195.11658	3.2
197.13237	9.6
199.14772	3.6
203.14323	2.0
209.13333	6.5
211.14790	3.2
213.16293	11.3
215.14284	1.8
219.36522	1.6
223.14923	6.3
225.16229	1.7
227.17926	1.9
237.16234	3.3
239.17964	2.8
251.17862	1.6
253.19431	11.9
255.17368	2.4
255.21085	2.4
256.26382	2.3
269.19058	1.7
279.20764	11.6
279.23581	3.0
279.27826	3.7
280.23557	13.0
297.22122	100.0
297.25851	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
55.05519	2.3
55.22217	0.9
57.03424	2.4
67.05499	10.1
69.07066	2.4
71.04983	6.9
79.05493	7.4
81.03410	4.2
81.07061	14.7
83.04965	2.2
83.08611	1.8
85.06548	8.3
91.05484	5.9
93.07037	14.9
95.04948	1.5
95.08615	13.1
105.07036	9.0
107.04958	6.1
107.08617	11.5
109.10168	7.6
111.08154	1.2
112.26701	1.3
117.07064	2.1
119.08569	7.8
121.06479	1.8
121.10152	7.1
123.08075	2.5
131.08554	9.5
133.10123	8.9
135.08031	1.2
135.11664	5.1
141.06943	1.0
143.08607	4.2
145.06511	1.8
145.10133	14.2
147.11681	9.3
149.13255	1.5
157.10114	6.7
159.11707	14.6
161.13191	2.1
169.10167	2.4
171.11690	6.5
173.13261	6.2
177.12717	2.5
181.10039	1.5
183.11823	1.7
185.13242	2.4
189.12814	1.7
195.11783	1.2
197.13284	6.0
199.14859	4.3
203.14285	1.1
205.12077	1.1
209.13210	2.5
211.14737	1.6
213.16360	12.6
215.14323	1.7
223.14819	6.2
225.16278	1.3
227.17885	5.1
235.14619	1.2
237.16402	1.5
239.17920	5.2
253.19504	8.3
256.26373	3.7
264.18369	1.2
279.16055	1.8
279.21005	14.1
282.08969	1.4
297.08072	1.5
297.11176	8.7
297.17038	16.3
297.22119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2213
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
55.05519	1.2
67.05504	3.2
69.07063	5.1
71.04988	6.8
77.79882	1.3
79.05479	5.7
80.57005	1.2
81.07067	13.5
83.08611	2.0
85.06534	8.5
87.89649	1.1
90.68475	1.1
91.05473	3.1
93.07045	9.4
95.04983	1.3
95.08611	13.7
105.07039	7.7
107.08588	14.9
109.10139	8.1
111.08080	1.9
117.07011	5.7
119.08561	5.7
121.06506	2.2
121.10149	8.2
121.83508	1.2
123.08034	2.5
129.06996	1.7
131.08611	10.7
132.28432	1.3
133.10120	7.7
135.08061	1.6
135.11710	1.8
143.08577	6.1
145.10123	23.2
147.11714	9.5
155.08510	2.1
157.10088	9.8
159.11710	15.2
161.13258	2.0
169.10175	2.8
171.11676	8.5
173.13228	9.4
183.02946	1.4
183.11687	6.8
185.13264	5.7
187.14857	1.9
195.10155	1.6
195.11714	5.1
197.13258	7.8
199.14835	8.2
203.14267	1.8
209.13211	2.9
211.14835	5.2
213.16391	16.5
215.14169	1.5
223.14871	8.9
227.17989	8.1
237.09100	2.1
237.16357	5.3
239.17912	7.5
253.19533	6.9
255.20995	1.7
256.26340	2.9
264.18835	1.6
265.08667	2.9
269.08292	1.5
279.21100	25.9
297.07639	6.0
297.11368	8.2
297.16916	4.7
297.22125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
67.05501	12.4
69.07076	1.7
71.04993	6.3
74.38947	1.2
79.05505	11.9
81.07051	24.5
83.08615	2.4
85.06541	10.4
91.05475	9.4
93.07042	27.3
95.04972	1.9
95.08614	31.6
97.06541	3.2
105.07024	14.3
107.04983	1.5
107.08595	32.0
109.10159	12.6
117.06989	3.2
118.25213	1.7
119.08582	11.1
121.10133	23.2
123.08031	2.6
131.08545	15.0
133.10124	12.6
135.11653	6.5
143.08574	2.6
145.10126	31.2
147.11696	13.4
152.00168	1.9
157.10135	9.0
159.11681	18.5
161.13222	3.1
163.14867	2.0
171.11717	2.7
173.13300	3.0
174.34827	1.7
177.16357	2.8
183.11662	3.4
185.13304	2.3
187.14801	22.9
197.13301	3.8
199.14854	6.1
201.12738	2.2
203.33649	1.7
205.15872	27.2
211.14793	2.2
213.16368	12.4
223.14951	2.9
223.16945	1.7
227.17998	3.7
237.09033	2.2
237.16562	2.3
239.17784	2.9
253.19550	6.9
253.84180	1.7
265.08679	2.4
279.21274	14.5
297.07751	2.9
297.11346	7.2
297.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2214
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
51.00777	1.5
53.93752	1.3
55.05509	1.2
67.05512	20.3
68.59075	1.3
69.07050	2.3
71.04980	2.2
77.72066	1.6
79.05511	12.0
81.07063	67.3
83.04999	2.6
83.08609	2.5
85.06548	14.6
91.05491	6.2
93.07036	21.1
93.51501	1.4
95.08611	28.9
99.08125	2.2
105.07037	17.4
107.08584	17.4
107.66359	1.4
109.10170	9.6
111.08112	2.8
113.09686	1.6
117.07037	3.9
119.08579	7.4
121.06435	2.4
121.10165	6.8
123.08067	20.7
131.08557	21.8
133.10106	12.7
135.11728	3.3
137.09637	2.0
141.07062	2.5
142.07751	2.1
143.08571	10.8
145.10130	35.9
147.11699	17.1
151.07556	3.2
155.08559	11.6
157.10121	52.7
159.11688	31.2
161.13271	5.9
169.10170	5.9
171.11642	13.6
173.09758	2.1
173.13211	11.5
181.10049	2.1
183.11684	16.4
185.13258	9.7
192.05685	1.7
195.11710	9.3
197.13229	12.7
199.14906	3.7
205.06566	1.7
209.13208	14.8
211.14777	3.8
213.16422	9.4
215.14404	3.7
217.62068	1.8
223.14803	12.3
227.17850	1.6
237.09038	2.9
237.16377	3.6
239.17976	8.0
251.17998	2.0
253.19495	18.5
255.17648	1.8
265.08658	8.1
279.15851	6.2
279.21045	38.6
297.07620	12.3
297.11334	11.2
297.17072	18.4
297.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26550	1.2
55.01881	2.0
55.05519	3.7
57.07083	2.3
67.05512	14.8
69.07069	3.3
71.04986	3.7
77.59020	1.5
79.05515	12.7
81.03415	2.5
81.06615	2.7
81.07060	62.1
83.04946	1.7
85.06530	11.8
85.07005	1.7
88.83421	1.8
91.05483	11.1
93.07048	18.2
95.08597	28.0
105.07035	18.0
107.08598	15.9
108.07809	2.1
109.06464	2.3
109.10172	12.8
117.07002	9.8
119.08564	7.9
121.06421	2.5
121.10152	12.8
123.08047	17.4
131.08559	18.6
133.06442	2.7
133.10123	12.7
135.04344	2.5
135.08119	2.3
135.11697	8.8
142.07722	2.2
143.08548	9.3
145.10124	33.1
145.52638	1.8
147.11633	13.8
149.13243	1.9
151.07515	3.8
155.08525	9.6
157.10117	41.4
159.11679	31.0
165.01869	2.1
169.10063	7.7
171.11655	12.7
173.13260	8.2
181.10045	2.6
183.11623	17.1
185.13255	11.7
187.14705	2.3
195.11720	7.2
197.13220	12.5
199.14796	3.1
205.15921	2.5
209.13249	9.2
211.14865	2.1
213.05801	8.6
213.16351	9.2
215.14261	3.2
223.14832	9.3
237.09111	9.9
237.16391	3.7
239.17932	3.4
250.06232	2.2
250.60411	2.0
253.19479	10.3
256.26260	3.3
261.14929	2.8
264.07721	2.4
265.08643	19.8
266.09366	2.2
279.16040	3.0
279.20938	35.0
282.08682	7.0
297.07565	15.0
297.11206	42.1
297.16714	16.7
297.22095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05518	12.2
57.03434	3.5
57.07088	33.2
62.24548	2.6
67.05510	34.1
69.07069	12.8
76.22333	2.5
79.05487	13.5
81.07065	29.8
83.08636	6.6
85.10187	100.0
91.05473	16.2
93.07034	18.2
95.08585	27.8
97.06521	5.3
97.10166	4.7
100.53631	2.9
104.16116	3.1
104.49223	3.4
107.08620	6.9
109.10153	16.6
111.08089	5.1
113.09647	96.2
115.47798	3.1
121.10133	5.7
123.11750	3.8
129.21913	2.6
131.10672	4.3
133.10132	49.7
135.11726	4.6
147.11682	3.9
149.09618	6.0
149.13274	30.2
151.11154	6.3
153.12794	4.8
167.14374	7.5
173.13290	3.5
214.17194	3.4
243.21211	6.2
261.22131	19.4
279.23163	99.3
280.23651	4.4
297.24057	24.9
309.99347	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
54.44954	2.4
55.01871	5.0
55.05516	25.2
55.05758	2.6
57.03437	4.7
57.07085	39.5
58.07409	5.4
63.98624	2.4
65.48698	2.6
67.05503	53.7
69.03418	4.3
69.07071	60.1
70.07400	3.0
71.04984	4.7
71.08630	40.3
72.08952	10.7
79.05511	25.9
81.07061	88.8
82.07401	5.2
82.13259	3.0
83.04976	12.4
83.08624	23.2
85.06555	5.3
91.05524	3.9
93.07039	41.2
93.55181	2.6
94.07373	5.0
95.08609	75.8
96.08931	5.9
97.06550	19.0
97.10165	31.7
105.06994	4.1
107.08593	27.6
109.10169	32.3
111.11685	3.1
121.10140	48.1
122.10461	10.9
123.11700	14.4
125.09638	11.2
131.08586	4.2
133.10170	6.0
135.11699	18.1
137.13243	5.4
139.11179	20.5
141.12732	11.5
142.13142	4.2
145.10211	3.3
147.11667	3.7
149.13263	3.9
151.14833	3.6
163.14812	3.0
173.13284	4.5
178.07997	2.6
183.13748	4.7
203.12688	2.9
211.80101	3.0
233.22621	3.0
243.21146	3.2
252.24104	3.6
256.26251	4.8
261.22055	22.0
262.22559	4.2
279.20117	3.9
279.23160	100.0
280.23550	26.8
297.07877	3.4
297.24176	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
53.85094	3.9
55.05522	35.0
57.03429	6.3
57.07072	33.1
58.07409	4.9
67.05505	64.7
69.07069	64.2
71.04983	7.4
71.08633	27.1
71.49845	4.5
79.05496	32.9
81.07057	100.0
82.07359	8.0
83.04988	8.5
83.08612	26.2
87.82472	5.1
93.07053	63.5
95.08602	84.2
96.08926	5.2
97.06534	9.8
97.10164	30.9
107.08602	24.8
109.10154	33.8
121.10137	49.0
123.11705	30.8
131.08545	7.0
133.06493	10.0
135.11714	20.5
137.13239	7.6
139.11194	12.0
205.19675	5.1
256.26294	20.3
261.22183	23.4
264.07599	5.7
279.23105	95.1
280.23450	20.7
282.08960	12.2
297.11252	10.6
297.23981	75.0
310.87741	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.93886	0.5
53.00320	0.5
55.01860	0.7
55.05518	10.1
57.03449	8.9
57.07085	17.3
59.14744	0.5
59.50885	0.5
67.05509	21.7
68.99785	0.5
69.07069	12.9
71.01349	4.8
71.04999	1.3
71.08633	18.5
79.05497	5.9
81.07062	34.1
83.08623	8.1
85.06541	2.7
85.48701	0.5
91.05486	1.2
93.07053	8.0
95.08606	31.0
97.06530	3.4
97.10161	11.0
99.08082	5.5
105.07040	1.3
107.08582	8.6
108.50326	0.6
109.10154	14.9
111.08063	1.3
113.05987	3.5
119.08580	0.9
121.10132	8.0
123.08078	1.1
123.11718	4.5
125.09631	3.0
127.07555	0.9
127.11208	0.9
131.08562	0.7
133.10147	1.0
135.08075	0.7
135.11684	8.3
137.13240	2.3
139.11166	0.8
141.12709	5.6
145.10162	1.0
147.11682	3.8
149.13277	0.9
151.11259	0.6
151.14796	2.7
153.12796	1.4
157.83157	0.6
159.11674	1.0
163.11192	1.2
163.14841	2.4
165.12769	0.9
169.15869	14.1
173.13240	1.0
177.16423	1.2
181.15923	1.1
183.13795	100.0
189.11270	2.3
233.22554	0.8
243.21115	1.0
251.23645	17.1
256.26349	7.1
261.22119	4.9
265.08777	0.7
279.23172	20.6
280.23477	1.0
297.24124	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.93773	2.1
55.01884	36.0
55.05515	17.8
55.99810	2.9
57.03443	3.0
57.07100	9.5
67.05503	37.2
69.07072	69.1
71.04987	2.5
79.05497	20.2
81.07060	40.7
83.04989	5.4
83.08621	41.1
87.21767	2.5
91.14406	2.5
93.07049	33.0
95.08604	35.5
97.06546	6.2
97.10162	5.9
107.08582	23.6
109.10159	22.5
111.08081	3.5
117.07066	2.7
121.10164	22.0
123.11695	5.5
125.09682	2.5
135.08049	3.4
135.11713	22.2
137.09547	2.6
149.13261	4.7
153.12747	49.8
157.31146	2.6
181.12146	3.4
181.15910	3.3
183.13853	5.6
233.22586	11.9
243.21036	4.5
251.23727	4.2
261.22003	18.1
279.23199	100.0
310.45654	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.42572	2.6
51.82801	2.8
55.01882	8.2
55.05520	48.6
55.65193	3.0
57.07079	5.4
60.57949	2.9
66.68457	3.0
67.05505	72.1
68.86322	2.7
69.03430	5.4
69.07076	58.9
71.04999	3.5
71.08629	12.2
72.46068	2.9
75.15232	3.1
77.03884	2.9
79.05496	21.1
79.10026	3.4
81.07058	65.8
83.04998	5.1
83.08630	43.7
85.06539	4.7
91.05487	6.4
92.21410	4.7
93.07050	29.7
94.84453	2.9
95.08607	60.4
97.06553	7.1
97.10165	70.9
99.08108	5.6
102.03870	3.3
105.07026	4.8
107.08607	48.1
109.10160	45.8
111.08091	5.3
111.11734	5.9
119.08582	5.7
121.10173	15.4
123.11684	14.8
125.09642	42.3
131.08559	4.7
133.10101	3.8
135.08054	13.1
135.11702	22.7
137.13286	4.5
144.46968	3.1
145.10054	6.3
147.11726	3.8
149.13264	6.9
153.12747	21.6
173.11832	4.6
173.13243	3.9
183.13811	16.1
185.13304	3.9
187.14905	4.2
189.11166	37.0
243.21138	7.0
251.23778	3.5
256.26340	6.7
261.22208	16.0
279.23242	100.0
297.24539	27.9
319.58618	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.2
57.07068	19.0
67.05499	33.7
67.17971	4.7
69.07067	27.3
70.45107	4.3
71.04987	4.3
72.48605	4.0
79.05495	29.4
81.07059	49.7
83.04934	4.8
83.08617	25.8
91.05495	9.2
93.07044	33.3
93.67714	4.7
94.07405	4.4
95.08624	34.6
97.06528	5.6
97.10189	8.1
105.07024	5.7
107.08605	37.7
109.10168	22.7
118.53109	4.2
119.08538	17.6
121.10132	86.0
123.11676	4.3
131.08546	6.7
133.10130	28.2
135.11694	40.9
137.09650	9.0
145.10109	10.2
147.11679	26.7
149.09630	8.3
149.13263	9.6
151.11169	18.5
161.13260	8.9
163.11208	5.9
215.71042	4.5
227.17830	6.3
234.23061	4.9
245.19083	10.7
256.26389	7.1
262.21829	7.4
263.20071	70.7
280.22794	100.0
297.11282	6.8
297.25568	38.9
314.73273	4.3
315.26328	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38358	1.0
55.05508	2.6
57.07088	8.3
67.05482	4.4
68.48441	1.2
69.07074	8.6
71.08624	5.0
72.55619	0.9
74.06099	1.7
77.40518	1.0
79.05511	1.8
80.59477	1.0
81.07057	4.8
83.08627	8.1
85.10175	2.6
88.07638	10.9
91.50512	1.1
93.07027	4.4
95.08602	6.5
97.06527	2.3
97.10170	4.5
102.09204	6.0
107.08607	5.0
109.10149	5.4
111.08101	1.4
111.11678	2.2
121.10139	2.7
135.11717	4.8
149.13278	1.4
163.14813	1.3
247.24217	4.6
256.26343	100.0
264.20541	1.3
265.25241	2.6
279.23132	1.7
297.15765	1.2
297.27988	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.4
56.05040	1.2
57.03434	0.7
57.07085	6.8
66.60361	0.7
67.05215	0.7
67.05508	9.7
69.07065	18.2
71.04998	0.7
71.08257	0.7
71.08617	5.0
74.06091	0.7
79.05489	3.0
81.07056	21.4
83.08624	14.9
83.56745	0.7
84.08115	0.9
86.06058	1.6
88.07616	5.0
93.07038	3.0
95.08590	20.0
97.06528	3.0
97.10173	9.6
98.45092	0.7
100.07615	3.7
102.09184	3.5
105.07034	1.8
106.24113	0.7
107.08570	3.7
109.10144	13.0
111.08096	1.7
111.11687	3.3
114.09164	3.9
116.10726	0.7
119.08565	3.3
121.10124	4.6
123.11692	6.4
125.09608	1.6
128.10693	1.5
128.14362	0.7
133.10152	5.6
135.11697	3.5
137.09631	1.0
137.13219	1.1
140.10681	0.8
142.12277	1.1
142.15950	5.7
147.11703	5.0
149.13260	3.1
154.12233	4.7
161.13246	1.2
163.14803	0.9
168.13857	1.0
171.14946	1.0
175.14830	1.8
180.17336	0.7
245.22528	3.2
256.26324	53.0
263.23679	6.1
280.23639	2.1
280.26331	31.8
297.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95339	0.8
55.05524	7.5
56.05049	0.8
57.07079	11.5
58.38092	1.0
65.82863	0.9
67.05511	9.9
69.07068	14.8
71.04996	1.1
71.08624	5.4
71.90880	0.8
72.08152	0.8
74.06095	1.2
75.72847	0.7
81.07054	14.9
83.04956	0.8
83.08633	11.9
86.09710	1.1
88.07625	10.8
91.05456	1.4
93.07032	4.5
95.08611	19.2
97.06532	1.2
97.10185	10.5
100.07620	1.5
100.11282	2.1
102.09183	5.7
105.07050	1.8
107.08578	4.3
109.10147	10.5
111.08044	3.5
111.11736	1.2
113.49338	0.9
114.09172	2.0
116.10706	1.4
117.22633	1.0
119.08587	2.1
121.10146	5.2
123.11697	5.6
125.09655	1.4
133.10156	4.5
135.11705	2.2
139.11217	1.5
142.15906	3.3
147.11682	1.2
149.13257	1.2
154.12178	1.3
156.17502	1.0
161.13235	2.0
163.14755	1.3
175.14836	1.0
177.16249	1.4
196.16858	1.3
245.22823	2.1
256.26321	88.9
263.23642	4.3
280.23532	2.1
280.26315	31.1
297.26129	3.6
297.28998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05332	0.8
55.05525	15.1
56.05050	2.2
56.05839	1.0
57.07077	11.3
58.06602	1.0
67.05511	19.9
68.05837	1.5
69.07068	25.7
70.06583	4.4
70.07394	4.1
71.05006	1.6
71.08628	5.5
71.36034	0.9
71.41223	0.9
72.08153	2.1
74.06073	1.6
74.73691	1.0
79.05499	5.3
80.41912	1.0
81.07059	27.8
82.07398	5.1
82.51150	1.0
83.04988	1.6
83.08612	16.2
84.09012	1.2
85.06540	1.5
85.10175	2.2
88.07629	8.6
91.05469	4.4
93.07043	8.7
94.92769	1.0
95.08603	28.2
96.08936	6.4
97.06527	5.0
97.10181	8.9
98.09697	1.6
99.08086	1.3
100.07626	2.4
100.11278	4.6
101.11628	1.7
102.09195	8.5
102.09769	1.4
105.07053	2.0
107.08604	6.8
109.10158	12.0
110.10464	1.6
111.08058	1.6
111.11758	1.5
112.39187	1.0
114.09171	2.3
114.12790	5.9
115.13172	1.5
116.10735	1.6
119.08584	2.4
120.08900	1.1
121.10112	5.5
123.08057	1.6
123.11687	8.2
125.09594	1.5
126.12767	1.0
127.96190	1.0
128.10739	1.3
128.14334	5.2
133.10097	4.3
135.11681	4.3
136.12029	1.7
137.13263	2.1
140.14391	1.1
146.77779	0.9
153.12759	1.1
154.12334	1.4
161.13234	1.2
163.14799	1.3
165.12740	1.2
168.01668	1.2
168.13818	6.5
169.14168	1.8
173.13576	1.2
189.67273	1.2
245.22523	4.0
256.26337	89.2
263.23654	5.9
279.25317	19.8
280.23514	2.6
280.26306	32.8
297.26102	100.0
297.29047	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59640	0.8
52.79168	0.9
57.10937	1.2
60.67504	1.0
65.36553	1.1
69.59145	1.0
70.12863	1.0
70.95868	6.8
72.39757	1.0
88.96902	1.9
98.97585	15.5
112.75860	1.1
116.98624	12.3
119.01913	4.8
121.02858	1.2
134.99677	7.1
137.02965	1.7
177.00989	2.2
190.94826	2.0
193.10876	2.7
201.75272	1.2
203.02562	5.8
208.95956	11.6
219.02019	2.5
232.95932	35.8
233.96745	2.8
239.11391	5.6
250.96982	47.4
256.96194	5.2
261.03177	8.2
274.97052	100.0
275.04581	2.4
292.98163	60.2
293.05676	2.3
298.18665	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07508	10.9
52.49602	10.5
54.63570	11.4
55.50092	13.4
58.53340	11.3
59.90425	12.6
79.31938	12.6
79.68703	11.6
80.67075	12.5
82.32801	11.9
98.97601	66.1
103.58501	13.4
116.98627	26.5
122.67611	15.8
134.99663	35.1
149.80293	16.2
151.98489	15.0
154.52339	15.6
274.97409	100.0
281.06693	15.9
292.98511	94.6
304.90326	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65536	0.2
58.06599	0.3
59.39362	0.2
70.06585	0.5
77.23489	0.2
79.77131	0.3
86.09725	1.8
93.07040	0.5
107.04942	0.3
111.29944	0.2
121.06501	13.7
144.72186	0.2
170.07104	0.3
174.09070	0.3
175.11894	0.5
176.07076	0.5
177.07904	0.3
185.01152	0.9
188.98462	0.5
191.09406	17.1
192.10158	1.9
211.06303	0.5
224.07097	1.8
226.10696	0.3
234.11063	0.3
237.07924	0.4
239.05756	1.6
252.06694	0.5
254.08092	7.2
255.05293	0.4
268.05966	4.4
269.06821	1.0
270.07581	8.5
272.17236	1.2
275.00665	1.6
280.06024	6.5
280.11606	0.4
293.01843	0.4
298.07089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45981	0.1
59.10824	0.2
65.40543	0.2
74.79646	0.2
82.03793	0.2
84.08112	0.2
87.04462	0.3
95.03680	0.2
97.48235	0.2
98.06010	0.2
101.06058	0.2
103.94641	0.2
121.06479	0.4
123.05490	0.2
132.08128	0.7
132.74182	0.2
136.06227	0.4
136.07579	0.2
136.11221	0.4
178.06525	0.2
182.08076	0.2
183.44965	0.2
195.08081	0.7
204.06689	0.2
223.07558	2.1
224.07025	0.7
237.09171	0.3
252.06494	0.9
254.08150	2.3
255.10115	2.0
280.02945	0.4
280.06024	10.0
280.11725	0.4
281.61795	0.2
298.07111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
56.78978	0.7
65.03947	1.5
67.05514	1.1
73.95770	0.7
75.13866	0.8
81.03417	0.9
81.23657	0.7
83.04987	1.9
93.03402	6.2
95.04958	8.7
101.00871	8.2
101.06019	7.6
110.55061	0.9
111.04440	0.9
119.01918	65.4
119.07052	1.6
121.02863	40.5
136.06178	1.7
136.07631	1.0
137.02963	18.5
139.03886	6.5
159.91237	0.9
166.07195	1.2
169.03477	1.6
171.05049	4.8
183.04927	0.9
193.03494	1.9
195.05045	8.7
197.02974	11.8
203.01903	7.6
211.04510	13.3
213.06085	4.0
215.03952	12.5
221.02934	39.1
221.05067	1.5
226.56886	0.8
229.05611	3.1
233.05051	1.2
239.03955	13.9
239.05881	0.9
257.05008	38.7
275.06091	100.0
298.13202	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06882	0.3
53.70512	0.3
55.05522	6.2
57.03436	2.8
59.04990	0.4
61.02933	3.8
69.03413	1.8
71.04982	0.5
73.02892	0.8
73.06570	3.3
81.03423	1.8
83.04961	0.5
85.02911	4.2
87.04463	0.4
97.02905	3.0
99.04462	0.6
101.06017	100.0
103.03941	3.5
106.06562	1.1
110.06028	0.7
119.07053	25.4
120.08114	0.5
121.06509	0.8
127.03928	1.8
132.04448	0.8
133.05289	0.6
134.06032	2.4
136.03937	2.2
136.07568	0.7
146.05991	0.7
148.03954	0.6
148.07590	3.4
150.05464	1.8
152.03426	0.7
152.05655	0.5
154.04965	2.6
154.06154	0.5
160.03938	3.6
162.05516	3.4
164.03429	3.3
166.04988	31.2
166.07227	1.6
174.05469	3.5
176.03416	0.8
178.04987	21.6
180.06534	1.0
188.03455	0.7
190.04959	6.8
192.02942	3.5
192.06612	2.0
194.04535	0.6
194.08127	0.5
202.05040	3.4
208.06067	3.6
209.08127	2.2
214.04968	0.7
216.06459	3.3
218.04515	1.6
220.06065	2.3
226.05186	0.5
232.06017	3.9
234.11284	0.7
239.09181	1.7
244.06033	2.3
262.07019	3.0
264.95953	0.5
280.08176	7.8
291.74722	0.5
298.09225	22.2
298.12762	3.4
298.16422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
51.20798	0.2
51.36484	0.2
53.43135	0.2
58.55150	0.2
61.01150	3.8
70.06672	0.3
75.02694	1.5
76.92306	0.2
82.19836	0.2
97.02874	1.8
121.06477	0.6
123.74921	0.3
136.06184	100.0
145.03178	1.2
163.04256	1.3
174.17149	0.3
191.09448	2.6
215.33119	0.4
233.41660	0.3
265.26724	0.3
284.83859	0.4
298.06815	0.6
298.09720	7.8
298.13330	0.4
298.14291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41925	0.2
56.36465	0.2
60.35601	0.2
68.13213	0.2
121.06525	0.9
164.89409	0.3
180.08116	0.2
181.53114	0.2
210.09062	0.3
238.08594	4.4
263.63980	0.2
266.08215	2.8
268.09723	0.4
269.14203	0.3
283.08362	1.1
298.10739	100.0
315.04617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81248	0.2
58.06610	0.9
84.07028	0.2
110.58292	0.2
121.06528	0.4
137.06015	0.3
192.10210	0.2
238.08611	5.0
239.09355	0.4
266.08124	4.3
267.08884	1.1
268.09644	0.5
283.09085	1.9
283.12088	1.7
298.10742	100.0
298.14352	20.8
303.52301	0.3
308.90103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98776	0.3
55.31200	0.2
61.50247	0.2
80.64952	0.3
86.80801	0.3
87.04476	0.4
116.08956	0.3
137.46747	0.3
180.08073	0.4
210.09056	0.3
238.08597	4.9
239.09219	0.4
266.08096	3.3
268.09671	1.4
283.08536	1.4
298.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1072
Annotation	Norcularicine
Peak:m/z	Relative Intensity
61.12638	0.4
96.74591	0.5
121.06393	1.9
121.18243	0.6
132.14630	0.6
149.28705	0.5
151.60001	0.4
165.30148	0.5
168.31520	0.4
186.94632	0.5
224.77852	0.5
239.27136	0.5
255.06458	0.6
255.08807	0.9
283.08371	100.0
298.10742	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98776	0.3
55.31200	0.2
61.50247	0.2
80.64952	0.3
86.80801	0.3
87.04476	0.4
116.08956	0.3
137.46747	0.3
180.08073	0.4
210.09056	0.3
238.08597	4.9
239.09219	0.4
266.08096	3.3
268.09671	1.4
283.08536	1.4
298.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1077
Annotation	Norcularicine
Peak:m/z	Relative Intensity
61.00510	0.6
71.09740	0.7
73.16663	0.8
97.94531	0.8
109.76683	0.9
121.06552	0.9
168.42503	0.7
174.78981	0.8
199.36266	0.9
238.08650	4.4
254.08015	0.9
266.08279	4.2
283.08994	4.1
298.10770	100.0
298.14377	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00510	0.6
71.09740	0.7
73.16663	0.8
97.94531	0.8
109.76683	0.9
121.06552	0.9
168.42503	0.7
174.78981	0.8
199.36266	0.9
238.08650	4.4
254.08015	0.9
266.08279	4.2
283.08994	4.1
298.10770	100.0
298.14377	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1073
Annotation	Norcularicine
Peak:m/z	Relative Intensity
54.59726	0.3
56.15047	0.3
61.97454	0.3
67.15178	0.3
67.15541	0.3
79.11259	0.3
81.07070	0.3
82.07389	0.4
88.22581	0.3
121.06495	0.8
129.22786	0.4
145.02965	0.4
146.03178	0.4
151.92799	0.3
174.09067	0.4
177.05481	0.6
178.05884	1.3
238.08563	4.3
239.09274	0.5
249.22098	0.4
266.08145	2.6
269.13904	0.4
277.14896	0.3
283.08432	1.3
298.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63590	0.3
66.03510	0.4
75.21291	0.4
86.06104	0.4
87.97397	0.4
97.31020	0.4
121.06530	1.1
129.11308	0.4
136.42029	0.5
162.40254	0.5
217.12231	0.5
240.53413	0.4
283.08380	100.0
298.10721	65.4
299.34048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1284
Annotation	5574-80-1
Peak:m/z	Relative Intensity
58.06610	0.4
70.06605	0.4
86.09715	0.5
90.36351	0.3
91.05485	2.0
93.07043	5.7
97.23303	0.4
103.05460	2.7
107.04948	1.8
112.40681	0.4
121.06501	100.0
125.72337	0.4
150.09119	0.6
160.95235	0.4
174.09145	0.7
176.07054	2.5
177.07829	0.9
178.07213	0.4
178.08699	1.4
188.98715	0.4
189.47795	0.4
190.08511	0.6
191.09402	39.9
192.10179	4.5
218.05258	0.4
224.07048	0.4
226.10750	5.0
234.11278	0.6
252.12410	0.6
254.08200	1.5
255.10178	0.4
268.06348	0.4
270.07669	2.2
272.17188	0.4
280.06171	1.4
280.11899	0.7
298.07117	23.8
298.10724	15.3
298.13919	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Anibacanine
Peak:m/z	Relative Intensity
55.75988	0.4
60.23980	0.5
62.42152	0.6
66.98045	0.5
85.84790	0.5
97.25678	0.6
141.62766	0.6
191.09386	3.0
255.12547	0.6
257.72873	0.5
266.08990	1.1
268.10019	0.6
282.11023	0.7
283.09274	1.4
283.12009	22.2
298.14346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Anibacanine
Peak:m/z	Relative Intensity
51.41098	0.2
58.06597	1.4
70.06586	0.2
72.08141	0.2
75.97043	0.2
81.39928	0.2
81.77272	0.2
86.09692	0.4
92.21556	0.3
93.07027	0.3
103.05439	0.4
107.04950	3.4
108.12723	0.2
111.80215	0.2
115.26627	0.3
121.05633	0.5
121.06499	14.3
136.07611	0.2
146.09705	0.3
161.06073	0.4
163.07497	0.4
174.09102	1.9
175.11894	0.4
176.07054	4.6
177.07878	3.5
178.08589	2.3
190.08640	1.4
191.09402	100.0
192.10181	10.5
217.44922	0.2
224.07190	0.3
225.62784	0.2
226.10828	0.4
235.07542	0.3
239.05785	0.5
253.08459	0.6
254.08153	2.8
264.76450	0.2
268.06110	0.9
270.07571	3.2
272.17035	0.3
275.00702	0.4
280.06055	1.1
282.07220	0.3
296.12723	0.3
298.07092	25.9
298.10715	4.6
298.14331	20.1
298.19373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Anibacanine
Peak:m/z	Relative Intensity
52.70816	0.5
53.63316	0.4
68.94717	0.4
74.36213	0.5
87.84348	0.5
107.04932	1.2
112.22465	0.5
121.06472	0.7
134.11711	0.5
141.87904	0.5
177.07866	0.5
181.37851	0.5
191.09404	2.2
226.42162	0.6
254.05597	0.5
254.08069	3.8
254.11659	0.9
280.16507	0.6
282.07489	1.9
283.08395	5.2
283.11996	17.0
298.10806	16.9
298.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1434
Annotation	Anibacanine
Peak:m/z	Relative Intensity
60.39026	0.5
65.50484	0.5
79.05499	1.1
95.08595	0.8
99.95660	0.6
103.05440	0.7
105.07028	39.2
117.03372	6.0
137.43861	0.6
145.02841	52.5
149.05949	2.3
149.07126	0.8
163.03940	0.8
177.05453	100.0
178.04842	0.7
186.05489	0.7
188.32515	0.6
227.50710	0.6
241.17250	0.6
269.47800	0.7
298.11444	1.8
298.14349	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95967	0.4
58.20181	0.4
60.90766	0.4
62.53005	0.4
78.26595	0.4
80.00485	0.4
86.28430	0.4
107.04967	2.3
152.40041	0.4
170.97461	0.5
176.07193	0.6
177.07887	0.8
190.08647	0.9
191.09389	6.6
192.10168	2.3
254.08102	2.6
254.11813	0.9
255.12517	0.6
272.16296	0.5
282.07565	2.1
283.08435	2.8
283.11990	15.7
298.10886	8.1
298.14343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Oripavine
Peak:m/z	Relative Intensity
91.57933	1.0
92.11662	1.1
103.44393	1.0
111.81645	0.9
126.54404	1.1
136.07529	1.4
152.80739	1.1
155.68732	1.1
160.07529	4.2
163.07573	1.3
167.08525	2.1
175.41386	1.1
179.08490	1.0
190.08687	2.2
191.08571	1.7
192.10182	6.8
194.07335	2.0
195.08069	20.1
206.58891	1.0
207.08076	1.7
209.09662	6.3
223.07529	49.7
224.48268	1.1
235.07491	1.2
237.09045	8.4
239.10626	1.6
240.07623	3.5
255.10156	35.8
269.11783	7.9
298.14386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Oripavine
Peak:m/z	Relative Intensity
62.92691	0.3
80.24177	0.3
87.04484	0.4
91.35596	0.4
98.06031	0.4
125.75247	0.4
132.08063	1.6
152.06122	0.5
160.07536	3.2
161.08336	0.5
163.07533	2.1
165.06952	0.5
167.08498	3.5
177.06960	0.7
181.06558	0.6
181.10132	1.4
182.08208	0.5
190.08656	0.8
191.08530	0.7
192.10196	6.0
194.07234	0.6
195.08046	21.6
205.06558	0.7
207.08075	1.7
208.05199	0.5
209.05975	1.6
209.09595	6.3
219.08002	3.0
221.09520	0.8
223.07515	45.4
225.05524	0.5
227.07008	2.6
227.10594	0.9
235.07585	3.4
237.09070	9.6
239.10612	2.6
240.07846	3.4
241.08771	0.4
249.08995	0.5
252.12495	0.6
254.09299	2.5
255.10129	35.2
269.11752	7.3
280.05960	0.6
298.07147	18.6
298.14371	100.0
317.50021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1434
Annotation	Anibacanine
Peak:m/z	Relative Intensity
70.69083	0.4
107.04924	0.5
107.79625	0.3
136.87614	0.4
177.07922	0.5
191.09412	2.7
192.10150	0.4
211.42574	0.4
254.08165	1.4
254.11615	0.8
255.12659	1.1
268.09537	0.4
282.07593	0.8
282.10669	0.4
283.08539	1.5
283.12012	19.4
298.14349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1434
Annotation	Oripavine
Peak:m/z	Relative Intensity
54.00685	0.5
58.78510	0.6
65.55314	0.5
72.68008	0.5
89.71947	0.7
98.60455	0.7
124.08305	0.7
162.10255	3.4
163.10580	1.4
166.07195	0.7
191.09340	1.3
192.08820	1.2
196.07610	0.6
206.06728	1.1
208.08295	1.2
210.10014	0.7
223.06966	1.5
237.08521	0.8
238.09319	3.3
254.08113	0.7
255.12523	1.0
266.08972	7.9
268.09503	2.4
280.09625	0.7
280.28299	0.7
282.11209	1.5
283.09036	6.2
283.11935	21.3
298.07068	5.2
298.11130	20.0
298.14230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36327	0.2
54.93447	0.2
55.51124	0.2
78.47533	0.3
107.04948	1.6
114.35828	0.3
121.06571	0.4
140.77483	0.3
173.82187	0.3
177.07870	0.4
190.08633	0.3
191.09404	2.1
192.10182	0.6
254.11761	0.5
255.12468	0.6
262.76563	0.3
282.11191	1.0
283.08588	1.1
283.12021	19.6
298.14371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1434
Annotation	Anibacanine
Peak:m/z	Relative Intensity
64.23387	0.4
75.82603	0.3
78.92531	0.4
107.04970	0.8
177.13835	0.4
191.09329	0.8
192.10089	0.7
254.08133	4.0
254.11707	0.6
275.00583	0.5
282.07709	2.9
282.10809	0.6
283.08380	5.6
283.11966	17.4
298.10782	15.5
298.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Anibacanine
Peak:m/z	Relative Intensity
50.95967	0.4
58.20181	0.4
60.90766	0.4
62.53005	0.4
78.26595	0.4
80.00485	0.4
86.28430	0.4
107.04967	2.3
152.40041	0.4
170.97461	0.5
176.07193	0.6
177.07887	0.8
190.08647	0.9
191.09389	6.6
192.10168	2.3
254.08102	2.6
254.11813	0.9
255.12517	0.6
272.16296	0.5
282.07565	2.1
283.08435	2.8
283.11990	15.7
298.10886	8.1
298.14343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36327	0.2
54.93447	0.2
55.51124	0.2
78.47533	0.3
107.04948	1.6
114.35828	0.3
121.06571	0.4
140.77483	0.3
173.82187	0.3
177.07870	0.4
190.08633	0.3
191.09404	2.1
192.10182	0.6
254.11761	0.5
255.12468	0.6
262.76563	0.3
282.11191	1.0
283.08588	1.1
283.12021	19.6
298.14371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.5
57.03438	1.7
58.06604	0.5
59.04987	0.4
69.03429	0.3
73.02911	0.3
73.06562	4.1
81.03436	0.6
83.04973	0.5
85.02897	2.9
87.04453	0.3
91.04021	0.3
95.71705	0.3
97.02879	0.7
99.04449	1.3
101.06020	100.0
119.07056	30.0
136.06166	0.4
152.05704	2.3
166.05074	0.5
166.07246	4.9
178.05020	0.4
184.56654	0.3
208.28874	0.3
215.02301	0.3
255.09990	0.3
268.07077	0.4
298.08945	0.4
298.14081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87803	0.5
55.05515	5.5
56.78339	0.5
57.03434	2.7
67.86293	0.5
73.06546	3.6
81.03410	0.6
82.55071	0.6
83.04971	0.7
84.88667	0.5
85.02901	3.3
91.33192	0.5
97.02879	0.8
101.06022	100.0
110.30614	0.5
119.07057	28.0
120.08185	0.5
121.06512	2.1
136.06210	0.6
136.07506	0.5
136.27850	0.5
154.04974	0.7
159.96626	0.6
164.03439	0.7
166.05006	2.4
170.99599	0.6
178.04929	0.6
190.04967	1.0
192.02898	2.9
208.20062	0.6
232.06146	0.8
234.11090	0.7
262.06870	0.8
271.63547	0.7
280.08151	2.5
298.09305	2.1
298.12534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.5
55.05513	4.4
55.28357	0.4
57.03436	1.3
59.18710	0.5
60.59602	0.5
61.02921	0.7
73.06564	4.1
74.31894	0.5
77.17867	0.6
81.03414	3.4
83.04971	0.6
84.04400	0.5
85.02887	4.2
86.90685	0.5
99.04462	1.1
101.06017	100.0
112.84069	0.6
114.05514	3.4
119.07047	28.3
130.90578	0.6
136.06165	2.9
150.09045	0.7
194.08084	0.8
206.99829	0.7
226.55060	0.6
236.77238	0.6
238.05319	2.6
252.06761	1.3
252.12349	0.8
254.08018	1.2
298.07260	2.6
298.13107	6.6
319.85260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.2
55.48764	1.7
56.05844	2.6
57.07063	8.9
61.89013	2.2
67.05514	31.6
68.05837	14.7
69.07067	38.8
69.81432	1.9
70.07396	13.8
71.05005	8.7
71.08627	11.7
79.05484	18.8
79.11247	2.3
80.05836	4.2
81.07060	64.0
82.07393	22.4
83.04998	5.3
83.08624	10.8
85.06548	3.8
86.06861	3.4
91.05499	2.7
93.07048	25.9
94.07365	20.5
95.08604	47.7
96.08936	21.6
97.06533	11.9
97.10159	17.7
98.06853	4.1
98.10475	4.8
107.08604	9.2
108.08918	4.4
109.10187	15.0
110.10486	14.0
111.11703	3.3
112.12027	2.4
116.48703	2.4
119.08578	2.9
121.10141	27.1
122.10468	22.7
123.11729	5.1
124.12035	9.8
131.08598	2.1
132.08876	3.6
135.11659	3.2
136.11996	2.4
137.52983	2.3
139.11192	10.1
140.11502	10.1
150.13605	2.7
150.76483	2.1
164.15129	2.1
182.91780	1.8
262.22470	28.7
280.23508	100.0
298.07108	2.5
298.10773	4.1
298.24536	33.6
298.27496	6.1
298.30997	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.03438	4.2
57.07081	22.7
58.07414	4.2
67.05501	15.8
68.05830	2.7
69.07066	17.6
70.07397	2.2
71.01352	3.8
71.08634	23.4
72.01654	3.1
72.08958	8.1
74.39571	2.2
78.04270	2.1
79.05494	2.3
81.07063	34.5
82.07391	9.4
82.30244	2.2
83.08615	14.9
93.07052	7.8
95.08607	36.6
96.08937	15.1
97.10177	10.4
99.08040	2.8
104.75498	2.3
105.07047	2.3
107.08594	4.0
109.10153	16.9
110.10503	5.3
121.10141	5.1
122.10532	2.9
123.11726	4.3
131.78937	2.7
135.11691	3.6
137.13182	2.7
141.12741	4.3
142.13017	2.5
154.12909	2.3
169.15857	5.1
170.16164	11.8
183.13794	70.7
184.14131	100.0
221.54788	2.1
228.35933	2.3
252.24011	39.4
280.23511	14.5
280.26276	3.6
298.27438	4.8
309.61667	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.03438	4.2
57.07081	22.7
58.07414	4.2
67.05501	15.8
68.05830	2.7
69.07066	17.6
70.07397	2.2
71.01352	3.8
71.08634	23.4
72.01654	3.1
72.08958	8.1
74.39571	2.2
78.04270	2.1
79.05494	2.3
81.07063	34.5
82.07391	9.4
82.30244	2.2
83.08615	14.9
93.07052	7.8
95.08607	36.6
96.08937	15.1
97.10177	10.4
99.08040	2.8
104.75498	2.3
105.07047	2.3
107.08594	4.0
109.10153	16.9
110.10503	5.3
121.10141	5.1
122.10532	2.9
123.11726	4.3
131.78937	2.7
135.11691	3.6
137.13182	2.7
141.12741	4.3
142.13017	2.5
154.12909	2.3
169.15857	5.1
170.16164	11.8
183.13794	70.7
184.14131	100.0
221.54788	2.1
228.35933	2.3
252.24011	39.4
280.23511	14.5
280.26276	3.6
298.27438	4.8
309.61667	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
54.28642	3.4
55.05518	38.4
57.07077	19.4
66.37485	3.9
67.05502	42.6
69.07077	100.0
71.08620	9.0
79.05500	9.6
81.07067	79.8
83.08625	64.0
83.39007	3.8
85.06504	6.8
90.78889	3.3
91.05486	14.9
92.21480	4.9
93.07047	35.2
95.08616	96.4
97.06525	18.4
97.10172	60.9
104.54761	5.6
105.07061	6.6
107.08582	23.8
109.10155	65.5
111.08095	16.1
111.11729	16.3
114.09159	6.6
119.08574	19.9
121.06472	5.6
121.10120	29.5
123.11700	21.5
133.10132	16.5
135.11707	16.6
137.13258	5.7
147.11716	7.4
149.13286	23.0
151.14848	6.3
161.13234	7.7
163.14786	8.0
175.14810	5.4
245.22588	26.0
263.23645	45.6
280.26266	28.2
281.24548	8.3
298.27496	37.9
298.30524	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	23.3
56.73564	3.1
57.07078	43.4
62.67049	2.9
65.00060	2.5
67.05511	40.4
69.07064	52.5
71.08630	41.1
72.72060	2.6
75.90327	2.8
79.05476	5.3
81.07056	88.3
83.08626	46.4
83.51626	3.6
85.10167	30.6
91.05482	5.7
93.07053	15.8
95.08602	100.0
97.06548	4.6
97.10171	34.5
99.08079	3.3
105.07027	7.3
107.08578	4.8
109.10155	54.0
111.11719	3.9
115.76436	2.9
119.08550	3.5
121.10139	18.0
122.10487	3.1
123.11723	27.9
129.17889	3.0
133.10132	17.0
135.11670	6.4
137.09615	6.0
137.13234	12.3
139.71252	3.0
147.11641	3.8
151.11183	3.8
151.14795	3.4
155.14340	6.9
161.13240	6.6
163.14777	4.9
165.12750	6.3
169.15875	4.8
169.42282	3.6
235.24168	5.2
245.22621	24.8
259.25055	3.1
263.23688	34.5
279.78381	3.5
280.23502	12.5
281.24744	33.2
298.24493	3.9
298.27481	53.5
299.25751	26.6
318.62491	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05526	13.3
57.07086	14.7
67.05500	11.0
69.07071	42.3
71.08640	16.1
79.07609	6.9
79.10405	8.5
81.07061	16.2
83.08629	33.1
95.08596	31.7
96.81587	6.6
97.10143	15.3
109.10137	13.8
119.08579	12.7
122.19890	9.0
133.44496	7.9
138.95123	7.7
199.45683	8.4
219.81650	7.5
245.22617	9.1
257.26660	84.3
263.23691	11.9
266.08133	9.5
269.37531	8.1
269.94760	9.4
280.26401	16.9
298.07397	10.7
298.10812	8.6
298.27399	100.0
298.31012	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14064	3.1
55.05528	41.7
56.32722	4.0
57.07075	19.0
66.64376	4.2
67.05518	41.8
69.07076	85.2
71.08629	8.5
75.12791	4.3
79.05482	7.8
81.07063	100.0
83.08631	65.7
91.05484	8.0
93.07037	28.8
95.08611	89.8
97.06530	9.7
97.10178	47.6
99.08093	4.6
103.93719	4.9
105.07041	8.2
105.52446	4.2
107.08612	20.5
109.10158	66.0
111.08054	8.4
111.11725	9.9
114.09137	6.5
119.08575	18.9
121.10128	22.2
123.08104	5.6
123.11720	29.8
125.09592	7.2
125.13324	5.8
133.10130	23.8
135.11745	9.4
137.09621	5.6
137.13382	5.1
139.11131	4.7
147.11690	10.5
149.13235	9.7
151.14793	5.8
161.13301	8.1
163.14833	4.4
175.14789	10.5
177.50385	5.0
205.07619	4.9
245.22696	32.9
257.26477	5.8
257.77933	4.3
263.23691	63.0
280.26297	54.9
281.24396	4.9
298.11447	7.7
298.27469	47.5
298.30826	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2734
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
52.67949	3.5
55.05516	26.8
57.03440	4.6
57.07089	42.3
60.71820	3.9
61.53828	4.0
67.05511	48.7
69.07063	61.2
71.08640	43.0
73.55775	3.9
74.68814	4.2
79.05483	7.3
81.07052	100.0
83.04983	5.1
83.08635	40.5
85.10169	22.9
92.21529	5.6
93.07050	10.8
95.08604	76.2
97.10161	40.0
104.29422	4.4
105.07027	7.8
107.08582	7.5
109.10153	48.7
111.11695	10.7
115.98560	4.5
119.08600	7.2
121.10154	18.8
123.11674	30.7
133.10101	20.1
135.11703	7.8
147.11653	8.9
151.11337	6.1
155.14345	6.4
165.12819	4.6
245.22704	26.5
263.23590	32.5
280.26117	13.7
281.24606	28.6
287.37192	5.7
298.27365	65.4
298.30994	28.0
299.25745	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
55.05522	39.6
57.03445	2.4
57.06821	3.4
57.07081	62.4
67.05503	44.3
69.07072	100.0
71.04984	2.4
71.08630	23.4
79.05498	9.2
81.07063	63.3
83.05003	2.9
83.08621	70.1
85.06524	4.7
85.10184	14.1
91.05476	5.5
92.67141	1.8
93.07025	17.0
95.08613	76.4
97.06522	5.7
97.10175	65.3
99.08134	3.4
105.07031	12.4
107.08603	14.8
109.10164	47.8
111.08078	4.3
111.11726	26.6
113.09660	5.4
114.09127	2.9
119.08560	15.1
121.10131	19.3
123.07999	4.3
123.11662	18.1
125.09647	3.5
125.13272	3.4
127.11173	13.1
133.10144	21.0
135.11700	11.5
137.09648	3.0
137.13263	5.1
141.12735	3.9
143.48026	2.4
147.11688	14.0
149.13228	9.8
151.11166	4.3
151.14789	4.7
153.12724	3.6
161.13249	13.8
163.14769	10.0
165.12692	4.5
167.14290	2.5
169.15849	2.7
175.14763	10.3
179.14261	8.9
179.17924	5.3
189.16402	4.2
193.15939	4.3
209.14993	2.4
245.22633	27.0
263.23654	38.6
270.61646	2.4
280.26324	26.6
281.24771	13.6
298.24332	3.3
298.27438	66.1
299.25781	40.9
308.34991	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
50.67620	3.0
55.05521	21.2
55.90159	2.6
57.07085	47.4
63.61988	2.9
66.12604	3.5
67.05504	38.4
69.07069	55.2
71.08635	89.2
73.87128	3.3
74.64487	3.6
79.05502	7.5
81.07063	93.7
83.08636	46.0
83.50404	3.5
85.06561	3.4
85.10184	49.3
85.84251	3.6
91.05478	6.6
93.07039	18.0
95.08610	100.0
97.10169	37.0
105.07053	5.6
107.08630	5.7
109.10153	41.8
109.86449	3.1
111.08066	5.1
111.11717	16.0
116.69006	3.3
119.08565	16.8
121.10134	17.1
123.11689	17.3
125.13306	4.8
133.10153	13.4
135.11745	7.3
137.09674	4.2
137.13272	13.7
147.11742	4.3
149.13263	6.5
155.14288	36.9
175.14981	4.6
195.81851	3.2
235.24321	3.9
245.22684	29.5
253.25357	5.2
263.23776	31.8
280.26328	95.0
281.24765	19.7
298.27380	57.1
299.25797	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
50.86251	3.6
55.05518	41.7
57.07091	33.8
59.95027	4.2
67.05512	52.3
68.80834	4.5
69.07072	79.5
71.08634	50.3
75.07413	3.9
79.05489	5.6
81.07066	100.0
83.05076	4.1
83.08622	75.9
85.06537	6.5
85.10181	21.0
91.05475	10.7
93.07042	21.8
95.08610	83.3
97.10175	50.9
99.08072	4.6
100.07658	4.8
105.07066	5.5
107.08599	10.7
109.10165	57.5
111.08040	4.7
111.11744	10.1
119.08601	19.7
120.75877	5.5
121.10110	10.1
123.11699	20.4
129.45750	4.1
133.10124	22.0
135.11723	9.6
137.13318	7.1
141.12790	5.3
146.30351	3.8
147.11670	17.0
149.13208	6.9
151.11177	6.6
161.13226	9.3
163.14827	7.1
165.12708	5.5
165.16443	5.3
175.14822	16.4
179.14264	5.5
179.17923	5.2
189.16402	5.7
245.22658	37.3
263.23752	54.9
280.26382	43.4
281.24753	21.9
298.27490	65.2
298.30673	7.1
299.25818	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
51.50644	2.5
55.05520	43.8
57.07080	40.0
59.67752	3.0
60.02124	3.1
67.05511	44.8
69.07069	92.8
71.04998	5.8
71.08648	29.6
79.05471	14.0
80.82152	3.0
81.07059	95.9
82.07397	4.0
82.26648	3.2
83.08627	79.9
84.50105	3.0
85.06553	6.5
85.10185	13.4
91.05479	14.5
92.20856	3.6
93.07024	22.6
95.08604	100.0
97.06538	5.1
97.10178	60.4
99.08089	7.1
100.07596	4.4
101.96291	3.8
104.17199	4.0
105.07030	13.7
107.08606	25.9
108.08984	5.7
109.10153	62.3
111.11723	16.2
119.08575	17.3
121.10123	15.5
123.08089	5.9
123.11680	23.9
125.13261	7.1
133.10112	24.0
135.11716	14.0
137.13284	5.4
147.11662	27.6
149.13203	4.6
151.14809	6.2
161.13240	7.6
163.14804	3.9
165.12759	4.9
165.16394	4.8
174.13641	3.7
175.14864	4.4
179.14281	7.3
245.22627	26.3
252.72200	3.8
257.26614	5.0
262.22525	5.9
263.23697	34.9
280.23520	12.3
280.26355	18.3
281.24719	19.8
298.24548	3.8
298.27490	60.9
298.30670	7.4
299.25696	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	Spiroxamine
Peak:m/z	Relative Intensity
55.05519	12.7
57.07079	20.9
65.79550	2.6
67.05511	14.2
69.07065	29.5
71.08631	19.0
75.76346	2.6
79.82555	2.7
81.07054	22.6
83.08633	27.0
85.10205	6.1
88.07626	11.7
89.48211	2.6
94.80276	3.1
95.08607	27.8
97.10168	22.8
102.09213	2.9
107.08585	4.7
109.10156	16.0
111.11741	4.6
121.10122	6.2
123.11714	4.5
133.10109	5.7
135.68645	3.1
137.13208	2.8
147.11626	3.9
150.47012	2.9
155.96735	2.9
245.22473	4.0
256.26294	3.2
257.26657	57.5
263.23694	7.0
266.08237	4.1
280.26288	6.7
281.24777	4.5
298.10843	4.2
298.27368	100.0
298.31021	25.7
299.25812	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Spiroxamine
Peak:m/z	Relative Intensity
53.03937	8.6
55.05526	63.8
57.07078	96.8
58.68556	7.3
65.65157	7.4
67.05519	53.0
67.27415	7.1
69.07069	100.0
71.08634	43.4
79.05492	10.5
81.07057	99.5
83.08610	71.5
85.10126	10.0
88.87227	7.6
91.05473	13.4
91.75932	7.9
93.07040	19.5
95.08594	86.8
97.10184	66.0
107.08575	33.4
108.09004	8.2
109.10149	56.3
111.11702	13.8
119.08607	15.3
121.10179	12.3
123.11735	17.1
133.10182	29.3
135.11703	16.2
141.12775	12.0
147.11632	12.4
149.13255	13.0
161.13216	15.5
169.16113	8.8
179.14117	8.0
236.31537	9.0
245.22537	17.9
263.23746	35.5
280.23526	13.7
281.23956	14.2
298.27292	95.5
299.25677	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	Spiroxamine
Peak:m/z	Relative Intensity
51.15976	2.3
55.05518	38.2
57.03450	25.0
57.07082	29.5
65.33162	3.3
67.05518	44.3
69.07074	100.0
71.05008	28.2
71.08630	21.2
79.05474	3.8
81.07066	70.9
83.05013	4.1
83.08623	87.5
85.06556	18.8
85.10201	3.6
91.05464	5.9
93.07059	18.1
95.08613	82.9
96.08962	4.5
97.06533	6.1
97.10184	65.2
99.08107	7.5
105.07018	5.4
107.08607	16.5
109.10153	54.2
110.10480	4.6
111.11729	29.7
116.98587	4.3
119.08605	11.7
121.10132	17.7
123.11729	29.4
125.13280	3.1
133.10147	8.0
135.11710	14.0
137.13257	13.8
146.28308	3.0
147.11717	14.7
149.13269	12.8
151.14813	5.4
161.13322	7.5
163.14790	4.8
165.16405	4.1
175.14763	3.8
179.14305	4.3
179.18005	4.2
245.22705	7.6
257.19183	5.7
263.23651	23.8
280.23508	6.3
280.26410	12.3
281.24576	20.2
292.98544	4.5
298.27390	71.8
299.25827	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
51.17357	5.8
55.05516	42.9
57.07080	84.5
57.99131	6.1
67.05505	37.0
69.07069	86.3
71.04985	7.5
71.08635	56.0
71.80664	6.1
74.76167	6.6
79.05489	13.0
81.07055	89.1
81.91010	6.3
83.08629	81.0
85.10177	11.6
91.05482	9.3
93.07027	15.6
95.08604	100.0
97.06499	10.1
97.10161	53.3
104.05701	6.2
107.08578	17.4
109.10149	46.0
111.11710	11.7
119.08575	16.4
121.10151	15.7
123.11694	17.0
123.70753	8.4
127.11222	8.6
133.10071	24.8
139.11183	8.3
141.12706	13.3
147.11578	10.4
161.13217	10.1
173.17953	6.5
198.54851	8.3
205.52898	6.7
245.22662	41.8
263.23718	35.7
280.26364	28.6
298.27341	88.1
298.31064	35.6
299.25766	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05288	2.2
55.05521	47.7
55.89437	1.7
57.06824	3.6
57.07085	67.6
67.05510	53.1
69.07070	100.0
71.08632	71.1
79.05495	11.0
81.07064	96.7
81.07545	3.3
83.08629	89.4
85.06554	5.0
85.10189	25.4
91.05467	13.5
93.07033	23.7
95.08611	91.7
97.06522	9.1
97.10167	65.5
99.08089	2.9
104.02094	2.1
105.07030	14.4
107.08565	20.1
109.10160	54.5
111.08088	10.7
111.11729	23.8
119.08569	23.2
121.10149	20.0
123.08044	4.7
123.11716	28.6
125.13284	4.1
127.07494	3.1
133.10135	27.6
135.11700	11.5
137.09608	9.5
137.13254	10.8
139.11197	3.0
141.12720	14.1
147.11707	18.8
149.13255	5.3
151.11180	5.2
151.14850	3.1
155.10667	2.2
155.14276	19.5
161.13255	12.5
163.14848	4.1
165.12733	5.5
165.16396	5.2
167.14267	5.2
168.21223	2.1
175.02306	2.4
175.14842	5.2
179.14336	11.1
179.17926	3.0
183.13849	2.8
189.16313	3.6
193.15851	4.8
216.70273	2.5
235.24339	3.2
245.22649	35.5
253.25259	10.0
263.20142	3.2
263.20840	3.7
263.23672	41.2
280.22916	2.2
280.26312	9.4
281.24716	27.1
283.87250	2.5
298.11261	2.7
298.27411	78.6
299.25797	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.01879	1.2
55.05522	12.3
56.05030	2.7
56.52015	1.1
57.03461	1.2
57.07083	11.0
58.70959	1.0
60.04531	63.0
60.47938	1.3
62.40611	1.1
67.05182	1.8
67.05509	36.2
68.05837	1.8
69.07076	22.2
70.07408	1.9
71.08627	8.7
79.05506	13.1
81.06611	1.9
81.07061	33.2
82.06581	2.2
82.07403	1.7
83.05011	1.3
83.08620	17.8
83.64127	1.2
84.68774	1.3
85.06516	1.8
85.10198	2.2
86.06084	2.3
91.05473	21.6
93.07040	18.4
94.06547	2.0
95.07298	1.7
95.08604	33.7
96.08145	2.2
96.08945	2.9
97.10176	11.9
99.08105	1.5
105.07018	10.4
107.08587	13.1
109.10155	16.0
111.08080	1.6
111.11694	1.9
113.09673	1.2
119.08560	11.8
121.10136	12.1
122.09650	1.6
122.81194	1.2
123.08051	1.3
123.11694	4.9
126.09148	1.5
133.10136	15.2
135.11690	5.7
136.11952	1.6
137.09642	1.6
137.13251	1.6
147.11687	5.6
159.11667	2.2
165.12717	2.1
204.21536	1.4
242.97649	1.3
245.22728	6.2
252.20325	1.5
262.22852	1.7
262.25189	9.5
263.16458	2.8
263.23383	1.5
280.23489	9.0
280.26379	23.9
281.17825	1.7
281.24054	2.9
289.28256	1.4
298.07062	2.5
298.27396	100.0
299.25909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
50.22707	5.4
51.14899	6.1
55.05503	25.3
55.86346	4.8
56.52856	5.4
57.07077	92.4
59.79214	5.1
60.75260	6.2
63.42549	5.0
64.50531	6.0
67.05501	61.4
69.07083	61.6
71.08627	96.3
71.51244	6.2
79.05470	8.9
81.07066	80.5
83.08636	55.3
83.45346	7.1
85.06544	8.0
91.05509	8.2
93.07040	6.4
95.08614	57.6
97.10167	53.9
107.08575	25.4
109.10141	39.1
111.08087	6.7
111.11723	13.0
119.08611	7.9
123.11697	33.7
133.10089	12.4
135.11745	7.2
141.12772	44.1
147.11655	10.0
149.13217	7.4
151.11194	9.0
154.53284	6.7
160.00226	5.8
245.22685	12.9
263.23694	27.0
280.26373	13.2
281.24658	14.0
298.27371	98.0
299.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.1
55.01866	0.1
55.05511	0.4
56.05032	0.0
56.05848	0.1
56.76417	0.0
57.03429	0.2
57.07078	4.2
58.06602	0.1
58.07410	1.2
59.03486	0.0
59.03741	0.1
60.04525	0.1
67.05513	0.3
68.05824	0.0
69.07072	1.0
70.07392	0.4
71.04987	0.4
71.08628	2.0
72.04547	0.2
72.05328	0.1
72.08152	0.2
72.08961	0.7
73.08467	0.0
74.06078	2.5
75.06416	0.4
79.05495	0.0
81.07063	0.4
82.07394	0.1
83.08617	0.8
84.08960	0.4
85.06565	0.1
85.10184	0.8
86.06077	0.3
86.06882	0.0
86.09691	0.0
86.10503	0.3
87.06419	0.0
88.07627	9.6
89.07359	0.2
89.07951	2.6
93.07030	0.1
94.07378	0.1
95.08605	0.4
96.08942	0.1
97.06517	0.2
97.10168	0.5
98.06857	0.1
98.10482	0.3
100.07610	0.5
101.07969	0.2
102.09177	5.4
103.08913	0.1
103.09507	1.8
107.08580	0.1
108.08913	0.0
109.10152	0.2
110.10479	0.0
111.08073	0.1
111.11724	0.1
112.08432	0.1
114.09155	0.2
115.09477	0.1
116.10722	1.6
117.11063	0.8
121.10169	0.1
121.50069	0.0
122.10487	0.1
124.12014	0.0
125.09490	0.0
126.09861	0.0
128.10718	0.1
129.11061	0.1
130.12285	0.5
131.12631	0.3
135.11734	0.1
136.12061	0.0
140.11444	0.0
144.13828	0.3
145.14252	0.3
149.13405	0.0
158.15381	0.2
159.15666	0.2
172.16949	0.2
173.17247	0.2
184.46184	0.0
186.18512	0.2
187.18819	0.2
201.20461	0.1
215.22054	0.1
239.25542	0.0
245.22722	0.0
256.26334	14.3
257.26651	100.0
297.28940	0.1
298.29489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3103
Annotation	Tridemorph
Peak:m/z	Relative Intensity
55.05513	3.6
57.07075	11.8
67.05497	2.5
69.07073	14.3
71.08638	4.5
75.23705	2.4
81.07066	11.6
83.08611	5.9
85.10211	2.6
88.07672	2.4
95.08598	9.8
97.10174	2.7
102.09167	3.9
103.36591	2.5
109.10159	2.5
115.76882	2.2
116.10751	2.7
120.84806	2.4
121.10248	2.7
178.44478	2.4
239.00421	2.6
257.26706	19.7
266.08136	5.0
280.26407	3.6
298.07162	5.1
298.10779	3.1
298.27466	15.6
298.31027	100.0
298.34579	11.0
299.25778	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3104
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
55.05527	0.8
57.03420	0.5
57.07071	4.6
60.08157	1.6
65.72274	0.7
67.05510	0.8
69.07056	3.6
71.08630	3.2
75.96342	0.7
77.18668	0.6
81.07053	3.0
83.08608	2.9
85.10155	0.9
88.07614	3.6
95.08582	3.3
97.10148	0.9
99.18367	0.7
101.03723	0.6
102.09206	1.2
109.10127	1.3
116.10720	1.7
121.10142	0.7
130.12282	1.1
133.10089	1.0
158.15390	1.0
161.13187	0.7
256.26315	10.6
257.26599	5.0
266.08142	1.6
280.26117	0.9
298.07315	1.1
298.27469	11.8
298.30997	100.0
299.25586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40741	0.9
53.49699	0.9
65.47539	1.0
85.02906	1.6
89.58894	1.1
91.71159	1.1
101.00885	11.0
101.06001	1.8
102.06367	1.4
119.01109	2.4
119.01927	57.1
119.93829	1.0
126.49015	1.1
130.92601	1.0
135.04420	4.8
137.02989	14.3
163.03867	4.3
183.05081	1.2
191.01889	14.5
192.92476	1.1
193.03430	5.9
194.03564	1.2
195.05055	20.6
196.05338	1.5
201.06050	1.3
209.02963	66.9
210.03680	2.2
211.04498	5.7
213.06035	7.8
217.03407	10.8
219.05078	2.5
221.02908	4.4
222.03113	1.2
225.06091	1.3
227.04034	1.2
229.05545	6.1
235.04471	53.8
235.06374	4.0
237.06046	9.3
238.53448	1.1
239.04045	11.6
240.04350	3.7
249.32668	1.0
253.05522	95.0
263.03998	5.3
271.06528	7.1
276.06458	2.1
281.04977	32.1
299.06085	100.0
309.71866	1.1
317.07214	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
67.05486	0.6
69.03429	4.4
69.07050	0.7
71.08624	0.7
83.04957	1.3
85.02920	0.8
99.04386	0.6
101.27570	0.6
105.03358	0.9
107.08585	4.7
111.04432	0.9
129.05472	1.3
135.08043	3.2
147.06528	1.1
166.73045	0.8
183.21797	0.6
183.94420	0.6
241.04974	0.7
256.07242	3.1
281.20193	1.0
283.06003	9.6
284.06775	70.4
299.09125	100.0
299.16364	2.5
299.25726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0911
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
52.49170	0.3
57.07066	0.4
66.15435	0.4
69.07056	0.6
83.08632	0.5
105.03391	0.8
119.39216	0.4
123.71380	0.4
181.04927	1.6
193.05017	0.5
216.22614	0.4
299.09131	100.0
299.25836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0911
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
52.72399	0.4
53.22984	0.4
55.05516	0.5
67.05493	0.6
69.07057	2.0
81.07066	2.0
83.08610	0.8
95.08602	2.4
97.10167	1.2
109.10172	0.8
111.11680	0.7
121.10141	0.6
141.92447	0.5
173.70778	0.5
240.45531	0.5
251.66212	0.5
255.06595	0.5
256.07260	2.9
283.06000	9.9
284.06781	78.2
299.09143	100.0
300.26193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3-Hydroxy-3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
58.84085	0.2
64.31996	0.2
65.40369	0.2
71.04968	0.3
72.52036	0.2
81.07072	0.5
83.08606	0.3
85.06483	0.3
87.32020	0.3
88.00458	0.2
95.08591	0.5
99.02408	0.2
105.03402	1.0
109.10145	0.3
141.22861	0.2
145.07735	0.3
154.16762	0.3
157.13382	0.3
170.11508	0.2
181.06474	0.6
182.07259	0.3
210.06763	3.5
238.06224	17.5
253.05009	0.4
255.06500	4.9
256.07101	0.4
265.04919	15.3
266.05716	13.6
267.06567	1.7
270.05103	2.1
283.05972	18.1
284.06775	13.8
299.09122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
62.55593	1.1
66.97433	1.0
74.50598	1.1
83.40459	1.0
85.58419	1.4
91.42107	1.3
122.32316	1.3
138.94878	1.3
155.08525	2.1
165.06982	11.1
179.04846	1.9
181.06509	2.2
183.08043	12.2
193.06398	8.6
196.05174	19.9
203.12791	1.6
207.04404	60.1
209.05992	2.4
210.06815	1.7
211.07507	34.0
221.05975	7.1
224.04631	6.8
225.05507	1.8
235.03879	6.1
238.06190	2.0
239.07022	48.2
241.04926	4.7
255.06512	2.0
256.07297	21.4
260.58994	1.5
267.06528	6.4
270.08759	2.1
281.09073	2.7
284.06863	4.8
299.09122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55593	1.1
66.97433	1.0
74.50598	1.1
83.40459	1.0
85.58419	1.4
91.42107	1.3
122.32316	1.3
138.94878	1.3
155.08525	2.1
165.06982	11.1
179.04846	1.9
181.06509	2.2
183.08043	12.2
193.06398	8.6
196.05174	19.9
203.12791	1.6
207.04404	60.1
209.05992	2.4
210.06815	1.7
211.07507	34.0
221.05975	7.1
224.04631	6.8
225.05507	1.8
235.03879	6.1
238.06190	2.0
239.07022	48.2
241.04926	4.7
255.06512	2.0
256.07297	21.4
260.58994	1.5
267.06528	6.4
270.08759	2.1
281.09073	2.7
284.06863	4.8
299.09122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89400	0.3
71.45808	0.3
74.06634	0.3
88.94375	0.3
94.75785	0.3
99.04507	0.4
101.06039	2.5
102.06347	1.5
115.47781	0.3
127.03977	0.4
137.02351	0.3
144.11926	0.3
146.01147	0.4
146.92270	0.4
177.19943	0.3
185.90474	0.3
210.08781	0.3
226.08624	5.8
227.11765	0.4
234.99025	0.4
238.08661	0.6
239.09389	7.6
240.08923	0.5
249.40987	0.3
255.11263	100.0
260.37134	0.4
281.08914	0.6
299.10242	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86675	3.3
54.68506	3.4
55.01874	3.3
58.46294	3.2
69.03434	5.0
73.02907	4.7
78.63494	4.0
81.03401	8.2
85.02908	25.5
89.18951	4.7
91.05494	4.9
97.02914	46.9
103.03928	9.4
105.07074	17.7
115.05473	6.9
119.04971	6.5
123.04427	16.9
129.07001	23.1
131.04951	8.5
133.06474	20.7
137.05981	99.0
143.04948	8.8
143.08595	4.9
145.06502	9.6
147.04410	16.2
147.08112	5.1
149.06003	47.9
151.07544	43.3
155.07115	5.0
157.06467	37.5
161.05981	63.8
163.07553	7.0
165.05481	30.3
171.04431	4.9
171.08078	5.3
173.05995	16.7
174.06796	6.8
175.07565	50.5
177.03351	3.9
177.05432	17.4
179.07025	53.9
181.06537	6.8
185.05991	26.3
187.07521	9.9
189.05455	18.1
191.07010	23.5
195.06532	6.0
199.07520	26.3
203.07013	100.0
205.08638	22.9
215.06848	6.6
217.08546	18.6
221.08005	26.4
227.07080	9.3
233.08052	23.4
234.99049	6.2
245.08099	48.7
251.09099	6.7
263.09186	56.7
281.10168	7.2
299.12732	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
54.18872	0.3
69.16618	0.3
74.23473	0.3
104.06736	0.4
122.06027	0.3
124.05247	0.4
131.04924	1.9
152.04669	2.0
162.66359	0.3
165.05573	0.5
167.03400	1.4
180.04163	4.4
195.06529	100.0
198.05258	0.6
231.78270	0.4
257.11862	0.6
299.09225	1.4
299.12741	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
50.57748	0.3
51.38570	0.3
54.38632	0.3
54.71215	0.3
57.07072	0.3
57.11117	0.3
58.22449	0.3
58.38080	0.3
61.55416	0.3
67.26566	0.3
75.42795	0.3
76.25855	0.4
80.55489	0.3
83.08620	0.3
91.32372	0.3
95.08581	0.5
103.05460	0.4
112.58199	0.3
131.04956	2.0
139.03844	0.4
152.04665	1.7
167.03427	0.7
180.04195	5.6
195.06528	100.0
198.05235	1.5
207.06509	2.1
266.09430	0.4
274.91074	0.4
283.09671	2.0
284.10413	2.4
299.09613	1.8
299.12759	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05521	7.2
55.22090	0.8
59.04996	4.4
59.51698	0.8
61.02937	3.2
69.03441	1.1
71.04998	64.5
73.06561	1.1
83.04988	21.5
84.08177	0.8
85.02905	13.2
87.04457	0.9
89.06023	1.0
89.92532	0.7
97.02892	2.9
101.06023	100.0
109.02904	1.1
119.07056	15.6
127.03938	3.2
137.02353	1.0
137.08086	19.4
164.60321	0.8
168.55563	0.9
183.90878	0.8
208.98697	0.9
255.11246	1.2
263.10907	1.2
281.12195	1.8
299.09262	3.8
299.12997	2.6
299.16293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	0.7
70.06588	3.9
80.73952	0.6
84.08148	5.8
121.35445	0.6
125.65566	0.5
132.04436	0.8
137.05989	2.5
143.04936	0.8
148.07520	0.8
166.08615	23.8
175.07549	2.8
198.05495	4.7
201.10211	43.0
216.06551	27.9
216.08638	0.9
227.15518	0.8
271.14380	26.5
281.12900	5.0
299.13895	100.0
308.64487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55669	0.4
67.05527	0.5
67.38164	0.5
70.06594	2.3
84.08142	5.4
89.10995	0.6
104.66476	0.5
111.70967	0.5
137.05977	2.6
143.04985	1.1
148.28827	0.6
166.08621	20.4
168.10309	0.7
173.10773	0.7
175.07539	1.3
198.05540	4.9
201.10217	38.7
216.06561	25.9
216.08656	0.9
271.14386	25.3
281.12729	4.8
299.13901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15528	0.5
60.50891	0.5
62.67621	0.5
63.62175	0.5
68.03201	0.5
70.06241	0.6
70.06583	3.6
83.64032	0.5
84.08147	6.4
84.49865	0.5
92.21549	0.5
119.76061	0.5
132.04414	0.6
137.05957	4.0
139.08534	0.5
143.04942	2.2
148.07568	0.8
166.08623	23.8
168.10263	0.6
170.06081	0.8
173.07124	0.8
175.07518	2.3
198.05568	4.9
201.10217	44.1
207.08167	0.6
216.06552	23.0
271.14371	25.7
271.17294	0.9
272.09546	0.5
281.12817	4.6
299.13885	100.0
316.68692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.185
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
55.01870	12.4
55.05530	15.6
55.43563	7.5
67.05508	18.3
69.07067	43.2
81.07066	48.0
83.05009	8.6
83.64197	7.7
85.02867	9.1
86.79870	7.8
91.05485	11.1
93.07052	19.6
95.08614	42.3
97.06561	8.7
107.08621	14.3
111.04420	11.0
115.80581	9.1
117.07061	13.7
121.10157	18.0
122.60146	8.1
123.04417	100.0
133.10138	33.4
133.38930	8.7
135.11656	13.6
142.03415	9.3
143.07072	14.0
143.08575	11.9
145.10175	12.4
147.08075	11.5
147.11758	11.9
161.09604	11.3
189.16400	12.6
215.10675	10.3
243.10191	18.1
263.16370	76.5
279.10690	9.2
281.17389	92.5
299.09351	15.4
299.12695	55.4
299.16373	57.2
299.19543	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05508	3.6
57.07072	2.2
58.13069	1.8
63.07633	2.1
63.39973	2.4
67.05510	5.5
67.83622	2.2
69.03412	2.7
69.07076	11.7
79.05488	3.4
81.07067	13.9
82.24949	2.1
83.08633	2.4
91.05480	5.5
93.07043	11.5
95.08617	13.4
105.07047	11.3
107.08614	13.3
109.10172	10.4
113.70010	2.1
119.08608	19.4
121.10162	29.2
123.11691	2.6
125.05978	2.2
131.08543	10.0
132.23666	2.1
133.10158	14.9
135.08116	4.0
135.11731	8.4
143.08594	4.3
145.10155	20.2
146.07362	2.2
147.11667	5.0
149.09581	3.9
157.10165	12.1
159.08057	8.9
159.11699	12.9
161.09625	10.7
169.10152	4.5
171.11728	14.1
173.13274	14.0
175.14752	4.3
177.09038	3.4
182.11014	2.7
183.11664	10.8
185.13292	11.5
187.14859	2.7
197.13278	12.1
199.14798	20.9
200.15610	9.9
211.11162	13.4
211.14868	8.9
225.12708	4.7
229.12177	2.9
239.18040	4.3
243.13936	3.1
253.19574	16.9
256.07275	2.4
257.15222	2.7
281.18961	14.1
284.06912	4.4
299.09036	24.0
299.16672	3.8
299.20056	100.0
299.23074	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2365
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
55.05523	2.8
55.66440	1.5
57.07074	10.2
58.07412	2.7
60.04529	23.1
61.04836	2.1
67.05502	11.8
69.07062	10.4
71.04994	8.2
71.08631	2.4
79.05509	2.9
81.07063	17.5
83.08586	2.5
85.06535	8.8
89.74960	1.9
91.05463	3.6
93.07037	13.9
95.08598	22.5
96.08987	2.2
97.10178	2.8
105.07034	8.9
105.28714	2.0
107.08591	12.6
108.11636	1.8
109.10165	16.1
110.10460	2.0
115.90623	1.8
119.08515	4.2
121.10149	11.5
123.11698	1.9
128.11536	2.5
131.08597	7.4
133.10150	11.3
135.11703	9.3
145.10106	13.6
147.11687	17.7
149.13287	2.7
155.72525	2.0
157.10051	2.6
159.11702	16.9
161.13248	11.3
171.11652	2.1
173.13240	7.5
175.14799	3.8
185.13263	10.6
187.14706	6.7
189.12714	2.5
191.14322	3.9
197.13199	3.1
199.14830	4.0
201.16379	3.1
203.14281	8.1
211.14925	2.3
215.17949	8.6
225.16327	3.9
227.17903	1.9
229.19476	2.8
239.17963	2.4
241.19504	4.7
243.57407	1.9
253.19484	6.9
255.21117	10.5
281.22614	33.5
281.26151	4.5
282.24200	3.3
299.20111	10.1
299.23672	100.0
299.27606	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51711	1.0
55.05514	2.0
55.78122	1.3
67.05502	5.1
69.07059	1.6
71.04985	6.1
76.83849	1.3
79.05494	2.4
81.07066	15.0
83.08624	1.3
85.06557	12.2
86.06075	15.7
87.06406	5.0
91.05476	6.3
93.07043	13.8
95.08628	10.5
99.08087	1.2
103.03500	1.5
104.07113	1.4
105.07024	8.2
107.08571	12.9
109.10136	13.7
117.07043	2.1
119.08569	7.2
121.10139	11.1
123.11729	1.7
131.08557	6.9
133.10127	12.0
135.11694	6.2
143.08554	2.3
145.10149	12.3
147.11687	16.6
149.13261	5.6
157.10107	6.5
159.11723	12.3
161.13295	9.2
163.14729	1.6
165.06926	1.5
169.10086	1.7
171.11629	3.1
173.13249	8.3
174.10359	1.3
175.14798	8.4
183.11650	2.0
185.13251	6.1
187.14821	3.0
189.12733	5.6
191.14243	2.0
197.13254	2.0
199.14806	5.4
201.16309	1.9
203.14359	9.2
205.15866	2.2
211.14865	2.9
213.16354	2.1
215.17923	6.8
217.15977	2.0
225.16377	5.6
229.19559	5.8
239.18002	2.1
241.19467	9.4
253.19412	1.7
255.21082	12.0
281.19434	2.2
281.22580	26.2
284.06793	1.6
299.09134	12.2
299.12564	1.6
299.20676	4.3
299.23669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2366
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
52.80103	1.6
53.16100	1.5
53.86744	1.5
57.07056	2.4
63.64620	1.9
66.39268	1.8
66.39625	1.7
67.05493	8.2
69.07053	7.6
71.08601	2.2
72.50235	1.6
79.05458	2.1
81.07049	15.2
83.08600	2.5
91.05484	7.8
93.07047	13.6
95.08627	14.6
105.07034	14.8
107.08591	13.8
109.10154	15.9
119.08568	12.2
121.10106	4.7
123.07967	2.1
123.11717	3.4
131.08603	6.5
133.10127	11.4
135.11684	8.6
137.13228	2.8
143.08524	2.9
145.10114	12.2
145.96782	2.0
147.11681	8.8
149.13208	2.6
155.08521	2.3
157.10155	4.5
159.11717	16.9
161.13208	8.9
171.11613	9.7
173.13251	12.0
175.14796	2.2
185.13257	7.3
187.14883	3.8
189.12730	4.1
197.13239	11.7
199.14809	8.5
201.16368	2.8
203.14200	2.6
204.35762	2.1
211.14864	7.9
213.16432	4.4
225.16333	11.5
252.18536	2.7
255.21133	16.3
281.22614	49.3
281.26096	3.2
299.09137	3.5
299.20361	5.4
299.23651	100.0
299.31067	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51711	1.0
55.05514	2.0
55.78122	1.3
67.05502	5.1
69.07059	1.6
71.04985	6.1
76.83849	1.3
79.05494	2.4
81.07066	15.0
83.08624	1.3
85.06557	12.2
86.06075	15.7
87.06406	5.0
91.05476	6.3
93.07043	13.8
95.08628	10.5
99.08087	1.2
103.03500	1.5
104.07113	1.4
105.07024	8.2
107.08571	12.9
109.10136	13.7
117.07043	2.1
119.08569	7.2
121.10139	11.1
123.11729	1.7
131.08557	6.9
133.10127	12.0
135.11694	6.2
143.08554	2.3
145.10149	12.3
147.11687	16.6
149.13261	5.6
157.10107	6.5
159.11723	12.3
161.13295	9.2
163.14729	1.6
165.06926	1.5
169.10086	1.7
171.11629	3.1
173.13249	8.3
174.10359	1.3
175.14798	8.4
183.11650	2.0
185.13251	6.1
187.14821	3.0
189.12733	5.6
191.14243	2.0
197.13254	2.0
199.14806	5.4
201.16309	1.9
203.14359	9.2
205.15866	2.2
211.14865	2.9
213.16354	2.1
215.17923	6.8
217.15977	2.0
225.16377	5.6
229.19559	5.8
239.18002	2.1
241.19467	9.4
253.19412	1.7
255.21082	12.0
281.19434	2.2
281.22580	26.2
284.06793	1.6
299.09134	12.2
299.12564	1.6
299.20676	4.3
299.23669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2369
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
50.72115	1.1
55.05505	2.2
64.79225	1.5
66.06971	1.4
66.16743	1.4
67.05496	2.2
69.07050	1.9
71.04966	1.8
71.41814	1.2
75.39658	1.4
77.67307	1.2
78.32168	1.4
79.05506	2.8
81.07047	9.2
85.06534	1.7
91.05470	2.7
93.07040	10.4
95.08597	12.6
100.55027	1.6
104.01002	1.3
105.07035	8.0
107.08615	11.6
109.10157	13.4
117.07020	2.1
119.08553	8.1
121.10124	8.9
123.11665	3.0
131.08549	7.5
133.10114	8.9
135.11690	7.0
143.08563	2.2
145.10124	11.3
147.11691	13.7
149.13274	2.1
157.10078	3.1
159.11658	13.5
161.13213	5.7
163.14821	2.0
169.10168	1.9
171.11671	8.9
173.13284	13.1
183.11664	2.1
185.13277	7.2
187.14836	3.5
189.12798	2.1
197.13304	12.1
199.14798	10.5
201.16293	2.2
203.14240	2.6
211.14803	6.3
213.16371	8.4
213.36615	1.4
225.16403	8.0
229.19629	1.4
239.17941	2.0
241.19414	2.7
252.18855	1.9
253.19514	1.8
255.21024	8.8
258.13388	2.4
266.84790	1.4
271.91211	1.4
281.22629	51.7
299.05627	1.4
299.09573	9.6
299.20132	6.8
299.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	44.6
56.05841	13.3
57.03446	3.8
57.07083	86.1
57.12352	2.4
57.15123	2.3
58.07426	21.2
59.30186	2.3
59.66350	2.5
67.05511	53.5
67.26992	2.2
68.05837	10.5
69.07075	100.0
70.07414	24.4
71.04995	5.0
71.08637	95.4
72.08981	21.3
79.05494	12.3
81.06615	4.8
81.07067	95.2
81.80616	2.2
82.07404	32.4
83.08626	79.4
84.08953	25.7
85.06557	11.3
85.10188	26.3
86.10500	6.4
86.92133	2.6
91.05473	13.3
92.20951	3.7
93.07043	21.0
93.82711	2.6
94.07409	5.0
95.08607	93.3
95.74191	3.1
96.08945	32.9
97.06548	5.2
97.10174	57.2
98.10507	23.7
105.07028	6.4
106.07364	3.9
107.08601	16.1
108.08942	5.0
109.10163	58.2
110.10503	26.3
111.08054	3.8
111.11725	24.5
112.12035	6.5
115.07629	3.1
117.61926	2.6
119.08577	13.8
120.08911	6.1
121.10152	10.2
122.10516	4.8
123.08042	3.8
123.11699	26.4
124.08410	5.4
124.12035	15.0
125.13274	4.7
127.11160	3.3
133.10138	20.5
134.10460	11.5
135.11729	5.4
136.12030	4.5
137.09612	5.4
137.13295	5.8
138.09930	3.1
138.13560	4.1
141.12761	15.4
142.13077	6.3
147.11694	10.9
148.12039	14.8
149.13237	3.4
150.13600	5.0
152.11461	3.9
155.14310	11.0
156.14636	10.5
161.13292	4.7
162.13631	6.1
162.39009	2.7
163.14799	3.7
164.15169	4.2
166.13173	3.6
175.14819	4.6
176.15210	4.4
179.14354	4.0
180.14658	3.3
194.16136	4.4
205.23587	2.7
208.17720	2.9
235.24069	3.8
236.24467	2.8
245.22585	4.9
246.23015	34.3
254.25615	4.3
259.98834	3.2
263.23718	4.2
264.24030	42.6
281.24335	4.0
281.26871	10.4
282.25043	29.4
284.06943	3.7
299.09265	20.6
299.12460	4.1
299.16470	6.7
299.20123	3.5
299.28021	77.8
300.26190	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36801	5.6
55.05513	33.5
55.86769	6.2
57.07079	42.1
67.05510	29.8
67.89278	7.1
69.07076	100.0
70.07407	28.0
71.08633	42.5
79.05482	11.4
80.99917	6.3
81.07067	59.3
82.07410	9.0
83.08624	74.6
84.08956	11.2
85.10194	29.9
86.10537	7.3
95.08612	57.5
96.08932	31.2
97.06532	7.8
97.10181	70.9
97.15524	7.0
98.10501	28.5
99.08088	37.6
107.08589	9.8
109.10128	13.4
112.12022	9.3
113.09648	11.2
121.10146	13.5
125.09631	8.9
125.13242	6.8
126.13583	7.3
133.10088	9.4
139.11230	8.7
147.11687	9.1
197.15393	9.0
218.62135	7.2
246.23041	9.4
264.23978	10.2
281.26837	9.1
282.25134	13.0
284.06772	30.4
299.09171	44.0
299.28137	60.2
300.26331	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.4
55.05524	49.4
56.05849	11.2
57.03428	3.4
57.06875	1.9
57.07088	36.8
58.07393	3.0
60.04534	2.8
67.05509	45.3
68.05836	10.4
69.07076	95.3
70.07407	18.5
71.08633	67.2
72.08973	11.3
79.05496	9.5
81.07063	66.9
82.07411	22.3
83.04965	2.5
83.08627	91.2
84.08948	26.5
85.06540	5.7
85.10193	54.3
86.10506	9.0
91.05483	10.7
91.95526	2.4
93.07046	18.0
94.07381	4.6
95.08609	82.5
96.08931	25.4
97.06527	5.0
97.10168	73.6
97.10743	4.1
98.10506	26.1
99.08086	54.4
100.08457	11.1
105.07015	9.0
107.08612	15.2
108.08920	8.9
109.10158	35.4
110.10486	13.6
111.08054	9.8
111.11710	22.7
112.08417	3.8
112.12057	13.3
113.09641	39.3
114.03295	2.4
114.09955	10.2
119.08580	14.8
120.08907	5.8
121.10158	8.9
122.10418	3.3
123.08091	2.8
123.11707	16.3
124.12088	5.6
125.09621	5.0
125.13297	5.2
127.11230	5.1
133.10133	17.2
134.10472	10.8
135.11673	11.1
136.12032	3.8
137.13269	5.2
139.11185	2.8
141.12709	2.6
142.13188	2.3
146.30983	2.4
147.11693	14.2
148.12070	14.0
149.13293	5.8
151.11125	3.5
151.14816	4.0
152.15132	3.5
157.12192	3.0
161.13275	11.6
162.13617	10.8
163.14751	3.6
164.15184	4.9
164.44333	2.5
165.12836	2.3
166.13080	2.7
168.14644	2.8
175.14812	3.1
176.15213	3.5
181.15891	3.2
189.16460	3.1
193.15891	4.8
194.16174	3.7
245.09685	5.6
245.22607	10.9
246.22905	17.3
253.25267	9.3
254.25688	5.7
263.23709	4.1
264.23978	24.4
281.26871	4.1
282.24939	12.1
299.08987	10.7
299.20151	3.9
299.25333	23.8
299.27740	71.6
300.26178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35571	0.2
53.13049	0.2
58.06612	0.5
70.85356	0.2
71.71278	0.2
95.56707	0.2
121.06487	1.9
129.22298	0.2
171.29268	0.2
180.62109	0.2
198.05502	0.3
238.08328	0.3
254.08060	1.1
256.09607	0.9
267.05267	0.3
282.04584	0.3
282.07581	6.1
282.13428	1.0
285.06342	0.5
300.08646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28911	0.3
58.06604	9.5
63.73574	0.3
68.83549	0.3
70.06573	0.5
75.12218	0.3
79.05459	0.3
83.54842	0.4
87.01379	0.3
89.03894	0.6
106.06545	1.9
107.04941	3.0
116.04966	3.1
116.07076	0.6
117.03398	0.4
121.06458	0.5
123.04423	0.6
134.06001	11.3
135.04410	5.5
137.02345	10.8
137.05977	1.5
144.04468	0.8
147.08089	0.5
161.06023	0.6
162.05487	100.0
164.07051	2.1
178.05016	1.5
180.06535	2.0
206.01199	0.4
220.13304	0.5
236.07056	5.1
244.09833	0.5
254.08127	4.3
255.10149	0.6
264.06451	2.9
265.07312	0.7
272.09122	5.6
282.07608	7.7
283.08450	2.2
300.08655	94.7
300.15796	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0866
Annotation	Normelicopine
Peak:m/z	Relative Intensity
54.85039	0.4
71.67027	0.5
72.65300	0.4
80.04529	0.4
97.09334	0.5
121.06498	2.7
134.06050	0.6
162.05501	6.5
181.65416	0.6
238.08664	0.8
254.07907	0.8
256.09729	0.7
282.07608	6.4
282.13400	1.1
300.08670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0864
Annotation	Normelicopine
Peak:m/z	Relative Intensity
58.06604	8.1
60.29702	0.4
70.06596	1.5
71.04955	0.3
83.04977	0.4
84.08184	0.3
87.33675	0.4
99.04451	0.5
104.83953	0.4
107.04966	5.0
112.07580	0.4
117.05475	1.6
121.06499	5.1
122.06030	7.3
124.03921	1.8
135.68001	0.4
137.05981	0.7
140.80602	0.4
145.06476	0.6
148.03934	18.6
161.05951	1.9
166.05019	2.9
184.06009	1.8
189.86069	0.4
197.08217	0.4
212.07004	0.5
213.07817	3.3
226.05008	0.5
239.09537	0.5
241.07309	11.7
245.06738	0.5
254.08098	1.7
255.10178	0.8
256.09662	55.1
257.06577	0.5
257.11551	0.4
258.07700	0.5
272.09076	1.5
282.07202	0.5
282.09766	1.8
282.13205	0.8
285.06320	3.5
300.08618	100.0
300.15839	14.5
321.58765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0865
Annotation	Normelicopine
Peak:m/z	Relative Intensity
55.01865	0.8
56.46803	0.4
58.06593	3.1
60.31906	0.4
70.06583	4.0
83.04952	0.6
86.09717	3.7
95.12643	0.5
106.06564	0.9
107.04945	2.1
116.04977	1.2
116.07092	4.6
121.06501	5.9
134.06012	5.1
135.04398	2.7
137.02354	5.3
138.09155	0.6
141.07425	0.5
144.04388	0.6
147.04405	2.0
150.68605	0.5
157.13300	1.2
161.05914	0.6
162.05490	51.5
164.07053	0.7
179.06996	2.7
184.09679	0.6
211.04205	1.0
236.07089	2.4
254.08043	3.6
256.09714	0.6
264.06445	0.9
272.09125	3.0
273.74219	0.6
282.07611	7.4
282.13467	2.1
283.08514	0.7
285.06720	0.8
300.08661	100.0
300.15665	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0863
Annotation	Normelicopine
Peak:m/z	Relative Intensity
55.20272	0.4
61.02913	0.4
62.83935	0.3
67.05529	0.3
70.06579	1.5
79.81391	0.4
85.02891	0.4
86.09686	1.7
87.11649	0.4
107.04984	1.7
116.07063	1.5
120.04497	0.5
121.06503	19.1
134.05939	0.4
135.35112	0.4
147.04340	0.6
150.09166	0.6
162.05486	1.5
162.07710	0.6
164.07130	0.4
192.58195	0.4
205.56134	0.4
226.08665	0.5
238.08511	0.4
254.08118	2.2
256.09695	1.8
264.12222	0.7
267.05228	0.5
270.07581	2.5
272.09244	0.6
282.07614	13.4
282.13318	9.4
285.09872	4.1
299.11075	3.2
300.08682	100.0
300.12051	10.9
300.15652	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1229
Annotation	Benzyloxyphenylisoserine Methylester
Peak:m/z	Relative Intensity
53.67514	0.2
54.41837	0.2
70.59599	0.2
85.23888	0.2
88.77196	0.2
92.20969	0.3
102.88461	0.2
104.05124	0.2
107.04952	0.4
204.69188	0.3
239.09396	1.1
255.09007	1.1
256.09662	5.1
268.09784	0.3
269.11621	0.3
270.07687	0.5
284.09161	26.6
285.07541	0.3
285.09933	12.6
300.12299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12220	0.4
68.15388	0.5
70.06580	0.9
107.04943	0.7
121.06499	3.4
122.73810	0.5
123.83806	0.4
143.21947	0.4
190.04965	2.6
236.16469	0.6
239.09732	0.6
250.05133	0.6
254.17395	1.1
255.08789	0.6
256.09723	5.0
267.08954	3.5
270.07510	4.5
282.07593	0.9
282.13480	0.7
284.09164	13.6
285.09943	51.9
300.05008	2.7
300.08676	11.9
300.12234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	0.7
85.02895	0.5
91.05438	0.4
93.07045	0.6
96.04494	0.4
97.02875	0.4
103.05463	0.6
109.03075	0.4
115.03976	0.4
120.08091	1.6
121.06506	25.5
137.05971	5.0
138.05553	0.6
138.09128	1.9
144.06529	0.5
150.09116	2.9
151.07509	0.7
152.07066	2.0
162.07556	1.9
163.06264	0.8
164.07072	0.9
232.30164	0.4
254.11670	0.6
264.12308	0.8
282.13443	13.1
284.06351	0.7
284.09183	16.0
285.09949	40.1
285.66827	0.4
290.14990	0.5
300.12238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12220	0.4
68.15388	0.5
70.06580	0.9
107.04943	0.7
121.06499	3.4
122.73810	0.5
123.83806	0.4
143.21947	0.4
190.04965	2.6
236.16469	0.6
239.09732	0.6
250.05133	0.6
254.17395	1.1
255.08789	0.6
256.09723	5.0
267.08954	3.5
270.07510	4.5
282.07593	0.9
282.13480	0.7
284.09164	13.6
285.09943	51.9
300.05008	2.7
300.08676	11.9
300.12234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.123
Annotation	1,3,4-Trimethoxy-N-methylacridone
Peak:m/z	Relative Intensity
51.17123	0.2
53.13241	0.2
53.56462	0.2
54.42817	0.2
58.06600	0.4
59.93628	0.2
64.27667	0.2
66.67393	0.2
70.06583	1.2
85.02892	0.3
86.09689	1.1
86.88105	0.2
104.54293	0.3
107.04949	0.5
116.07079	1.7
121.06504	1.8
123.04411	0.4
134.06023	0.3
137.05989	4.1
138.05394	0.3
138.09123	1.1
151.07512	1.9
152.07063	2.5
162.05496	1.5
163.06268	0.5
164.07092	3.7
176.07086	0.3
187.10776	0.4
254.08167	1.0
254.11798	0.6
256.09589	0.5
269.10614	0.2
271.08356	1.4
272.09204	0.3
282.11084	1.4
282.13477	1.0
284.05991	0.5
284.09152	17.8
285.09946	36.9
300.08875	6.2
300.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	0.7
85.02895	0.5
91.05438	0.4
93.07045	0.6
96.04494	0.4
97.02875	0.4
103.05463	0.6
109.03075	0.4
115.03976	0.4
120.08091	1.6
121.06506	25.5
137.05971	5.0
138.05553	0.6
138.09128	1.9
144.06529	0.5
150.09116	2.9
151.07509	0.7
152.07066	2.0
162.07556	1.9
163.06264	0.8
164.07072	0.9
232.30164	0.4
254.11670	0.6
264.12308	0.8
282.13443	13.1
284.06351	0.7
284.09183	16.0
285.09949	40.1
285.66827	0.4
290.14990	0.5
300.12238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77564	0.4
52.85313	0.4
54.23059	0.5
54.73503	0.4
65.40292	0.4
82.00876	0.4
103.10066	0.4
107.04978	0.9
121.06519	1.1
145.02852	0.7
146.03181	1.9
157.28714	0.5
174.00832	0.5
177.05441	1.2
178.05893	3.6
180.08939	0.7
188.03320	0.5
208.08417	1.1
208.77052	0.5
225.08647	0.6
236.07805	2.8
255.09343	0.5
256.09619	6.5
268.10220	1.9
270.07639	1.1
284.09143	24.4
285.10019	13.8
300.12326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77564	0.4
52.85313	0.4
54.23059	0.5
54.73503	0.4
65.40292	0.4
82.00876	0.4
103.10066	0.4
107.04978	0.9
121.06519	1.1
145.02852	0.7
146.03181	1.9
157.28714	0.5
174.00832	0.5
177.05441	1.2
178.05893	3.6
180.08939	0.7
188.03320	0.5
208.08417	1.1
208.77052	0.5
225.08647	0.6
236.07805	2.8
255.09343	0.5
256.09619	6.5
268.10220	1.9
270.07639	1.1
284.09143	24.4
285.10019	13.8
300.12326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73740	0.5
69.03415	1.0
84.39004	0.6
85.02944	0.9
91.05476	1.1
93.07035	2.6
95.04967	1.0
96.04518	0.9
97.02892	1.0
110.99361	0.6
111.04469	0.7
115.03870	0.6
121.06499	100.0
127.03928	1.2
129.05489	0.7
144.06563	3.3
147.04353	0.7
150.09126	5.9
162.07616	5.1
174.75499	0.6
228.18004	0.9
264.12302	4.2
282.13348	47.9
300.09308	1.5
300.14365	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65883	0.4
72.04128	0.4
75.46217	0.4
79.06544	0.5
79.28519	0.4
82.04091	0.4
91.05465	0.7
91.16644	0.4
92.56604	0.4
93.07036	2.9
95.04960	0.6
96.04509	0.5
97.02876	0.8
103.05463	0.9
115.04006	0.6
121.06505	100.0
127.03921	0.7
144.06577	2.9
150.09132	5.3
162.07625	5.2
162.08914	0.8
173.26596	0.4
179.93837	0.5
218.34354	0.4
264.12439	3.3
282.13354	58.3
300.14435	13.1
305.92590	0.4
323.82693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54483	0.5
78.25874	0.5
84.47878	0.5
84.88456	0.5
85.02885	0.7
91.05475	1.1
93.07056	1.2
96.04481	2.4
97.02879	0.7
103.05526	0.8
104.07115	1.3
119.04913	1.2
121.06505	100.0
137.06015	7.1
144.06537	4.8
146.94952	0.6
147.04419	4.7
150.09161	13.4
162.07619	6.6
179.07001	4.0
239.32231	0.6
246.32137	0.7
264.12302	4.2
282.13324	44.1
300.14456	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12583	0.4
55.95589	0.4
67.19946	0.4
85.02907	0.6
91.05485	1.2
93.07043	3.4
95.04964	0.5
96.04523	0.8
103.05466	0.9
120.96513	0.5
121.06500	100.0
144.06555	4.5
150.09149	11.2
159.98558	0.6
162.07581	5.4
226.61246	0.5
245.69188	0.6
264.12372	4.1
282.13351	48.1
300.14404	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33451	0.2
54.36373	0.3
55.08917	0.2
56.84868	0.2
58.06614	3.5
64.22961	0.2
70.06598	5.6
74.13576	0.3
80.42133	0.2
86.09702	3.8
91.05482	0.4
93.07086	0.4
95.04964	0.4
103.05454	0.3
107.04958	72.5
115.05457	3.0
116.07097	4.9
119.04947	0.7
121.02897	0.4
121.06507	13.9
123.04452	0.6
131.04910	1.2
136.06253	0.5
137.05965	8.3
137.06924	0.4
138.05502	0.3
141.10294	0.5
143.04927	15.2
145.06488	8.0
147.08014	0.5
149.06018	0.3
150.09183	0.4
151.07539	1.4
157.13348	1.4
161.06024	0.6
162.09081	0.4
163.07518	1.3
163.47490	0.3
164.07074	0.4
173.04391	0.3
175.07549	6.8
178.08678	1.2
179.09518	0.3
180.10211	2.5
181.06471	0.4
185.70302	0.3
190.04951	0.4
192.10201	5.8
202.10640	1.0
206.11815	0.4
209.09615	4.9
211.11215	0.6
219.08034	1.1
223.07562	0.4
225.09114	0.4
237.09097	9.8
239.10768	0.3
240.06570	0.4
251.10591	0.5
254.09427	0.5
255.10257	2.0
256.09662	0.6
257.11710	0.3
268.06110	0.5
269.11713	19.5
270.07492	0.4
271.13293	1.3
282.13403	2.8
284.08905	0.5
285.09958	21.4
299.11145	1.8
300.08676	5.2
300.12311	22.6
300.15942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
54.33451	0.2
54.36373	0.3
55.08917	0.2
56.84868	0.2
58.06614	3.5
64.22961	0.2
70.06598	5.6
74.13576	0.3
80.42133	0.2
86.09702	3.8
91.05482	0.4
93.07086	0.4
95.04964	0.4
103.05454	0.3
107.04958	72.5
115.05457	3.0
116.07097	4.9
119.04947	0.7
121.02897	0.4
121.06507	13.9
123.04452	0.6
131.04910	1.2
136.06253	0.5
137.05965	8.3
137.06924	0.4
138.05502	0.3
141.10294	0.5
143.04927	15.2
145.06488	8.0
147.08014	0.5
149.06018	0.3
150.09183	0.4
151.07539	1.4
157.13348	1.4
161.06024	0.6
162.09081	0.4
163.07518	1.3
163.47490	0.3
164.07074	0.4
173.04391	0.3
175.07549	6.8
178.08678	1.2
179.09518	0.3
180.10211	2.5
181.06471	0.4
185.70302	0.3
190.04951	0.4
192.10201	5.8
202.10640	1.0
206.11815	0.4
209.09615	4.9
211.11215	0.6
219.08034	1.1
223.07562	0.4
225.09114	0.4
237.09097	9.8
239.10768	0.3
240.06570	0.4
251.10591	0.5
254.09427	0.5
255.10257	2.0
256.09662	0.6
257.11710	0.3
268.06110	0.5
269.11713	19.5
270.07492	0.4
271.13293	1.3
282.13403	2.8
284.08905	0.5
285.09958	21.4
299.11145	1.8
300.08676	5.2
300.12311	22.6
300.15942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1592
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
54.21685	0.6
58.06607	72.0
70.06593	3.1
71.07364	1.3
72.08161	1.2
84.04523	1.0
85.28426	0.7
87.04465	2.7
92.21545	0.8
101.06009	0.9
106.77530	0.7
107.04958	37.6
114.18661	0.8
121.06495	18.8
121.92485	0.7
123.04409	4.6
124.83072	0.8
133.88612	0.7
136.03944	1.7
137.04343	1.1
137.05977	3.8
140.40283	0.7
143.04942	3.8
145.06491	4.8
147.08060	1.3
150.09021	0.8
153.10953	0.8
158.41795	0.7
161.05998	10.9
162.07678	0.9
179.09306	0.8
180.10152	0.7
181.65282	0.7
188.79436	0.7
191.08031	0.9
192.47615	0.7
193.10977	1.5
222.09688	1.0
235.64284	0.9
237.08887	3.6
240.08549	1.1
241.07266	5.3
254.08122	0.8
255.10229	7.3
256.09637	14.5
257.11688	1.6
265.08173	1.5
282.13440	4.8
285.06400	2.9
300.08566	34.2
300.12555	3.4
300.15942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
57.00194	0.6
58.06608	90.2
58.67034	0.6
65.71094	0.8
71.07378	0.8
72.08141	0.8
92.21593	1.0
107.04957	28.4
119.04913	0.8
121.06500	5.6
123.04418	3.7
135.04433	0.9
137.05974	1.6
143.04924	3.2
145.06505	3.6
147.08049	1.2
161.05927	9.2
162.05466	1.3
163.07541	1.3
164.07076	10.2
166.31679	0.9
169.20357	0.8
210.11055	1.0
237.09082	1.4
255.10175	7.0
257.11719	3.0
259.75757	0.8
300.09219	9.4
300.12357	6.5
300.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.159
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
53.85148	1.2
57.51392	1.3
66.78586	1.3
76.64086	1.5
77.58707	1.5
87.13132	1.5
89.54222	1.6
92.21455	2.4
97.25829	1.4
107.04960	99.1
121.06477	7.4
136.96323	1.6
137.05988	11.5
138.33809	1.5
143.04956	9.3
145.06474	10.2
147.08089	1.9
163.07565	3.3
175.07558	20.5
179.08395	3.5
180.08846	7.1
191.08502	2.3
192.08804	2.2
192.10347	2.3
197.09508	7.5
207.08063	2.6
208.08382	16.1
209.09578	7.0
210.09985	6.4
225.08772	14.0
232.13689	1.7
235.07335	3.8
236.07901	34.1
237.09085	19.4
238.09497	7.5
239.06728	3.0
239.10616	2.4
240.11015	9.8
250.09320	1.9
252.10890	2.0
253.08173	3.0
254.08969	2.6
256.06970	1.7
257.11511	5.9
268.10526	12.7
269.11725	29.4
270.08279	3.5
270.12003	15.2
271.09207	3.5
285.10675	23.9
300.08813	4.9
300.12909	88.0
300.15994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
50.35006	0.8
58.06606	10.9
63.77655	0.7
66.78687	0.8
90.75941	0.8
107.04959	65.3
115.05455	1.7
121.06512	12.9
122.31078	1.1
137.05992	5.8
143.04918	15.7
145.06525	7.4
161.06073	1.0
175.07550	7.9
178.48878	1.0
178.78761	1.0
180.10182	1.7
192.10194	7.4
209.09607	4.9
237.09151	7.8
239.10686	1.1
269.11682	21.6
284.20013	1.0
285.10001	1.7
300.12271	7.1
300.15930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1591
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
51.61448	0.3
54.60993	0.2
66.80697	0.3
79.05517	0.3
79.21870	0.3
107.04951	75.4
115.05424	1.2
117.06984	0.3
119.04939	1.9
121.06507	5.7
131.04929	1.1
133.06494	1.2
137.05968	8.4
143.04915	6.8
145.06480	7.3
147.08023	1.1
149.05977	0.7
149.88037	0.3
151.07564	2.5
160.05229	1.3
163.07532	2.9
175.07516	18.9
176.08386	0.3
178.08606	0.4
180.10167	1.1
181.10257	0.5
191.08572	0.5
192.10269	1.9
194.07301	0.4
197.09576	4.4
209.09601	8.6
209.11462	0.5
211.07567	0.4
219.08095	1.4
221.21286	0.3
225.09058	3.0
236.36096	0.4
237.09077	13.2
238.10100	0.3
239.10733	1.0
243.10144	0.4
254.09375	1.9
257.11606	2.7
268.13257	1.3
269.11691	23.2
271.13251	1.4
282.13513	0.4
300.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
54.49123	0.3
55.90034	0.2
70.75381	0.3
84.47596	0.3
95.04970	0.4
103.05466	0.4
107.04961	72.1
115.05460	1.2
117.07038	0.4
119.04940	1.4
121.06505	4.6
131.04942	0.7
133.06499	1.3
137.05978	7.3
143.04932	6.9
145.06497	8.1
147.08060	0.6
151.07562	1.9
160.05167	1.4
163.07532	2.8
174.26808	0.3
175.07542	17.1
178.08675	0.5
180.10193	1.4
181.36996	0.3
192.10239	1.7
194.07306	0.5
197.09656	3.8
209.09605	7.3
211.07446	0.4
211.11133	0.5
219.08044	1.1
221.41898	0.4
225.09154	2.8
237.09099	12.4
239.10707	0.5
243.01050	0.3
254.09454	1.8
256.09668	0.7
257.11691	2.9
269.11740	22.4
271.13202	1.3
284.09015	1.1
285.09888	1.5
300.12527	6.2
300.15927	100.0
317.61356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55389	0.3
52.76221	0.4
57.37982	0.4
58.06615	0.8
59.19642	0.4
60.80132	0.4
92.21504	0.6
107.04958	71.6
115.05491	3.2
119.04943	0.5
121.02870	0.7
121.06510	7.2
131.04895	0.9
137.05977	8.2
137.66826	0.5
143.04924	15.2
143.79996	0.5
145.06482	8.5
151.07498	0.8
162.09126	0.8
163.07501	1.1
175.07565	7.1
180.10191	2.7
192.10214	7.2
194.07330	0.5
209.09621	5.4
219.08121	0.7
237.09146	9.7
251.10681	1.0
254.09401	0.7
269.11703	20.6
291.10800	0.5
297.94238	0.5
300.15945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1592
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
58.06606	84.7
67.16059	0.9
99.04422	1.5
107.04956	30.5
113.75225	1.3
121.06507	20.5
123.04446	4.1
132.00890	1.1
137.05980	1.7
138.05515	1.3
142.08716	1.0
145.06532	2.2
150.09309	1.2
159.98790	1.1
161.06036	7.2
162.83211	1.2
163.07446	1.5
175.07538	1.2
183.12665	1.2
206.07578	1.1
207.29156	0.9
208.31209	1.0
232.88959	1.1
237.09128	1.5
240.08957	1.1
255.10187	5.4
257.11829	2.0
282.13345	7.0
292.06998	1.1
300.08606	7.0
300.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
56.07909	0.2
58.06605	23.4
60.37284	0.2
70.06583	0.6
71.07360	0.5
72.08154	0.4
82.85013	0.3
86.09708	0.5
89.06028	0.3
91.05475	0.3
95.04942	0.4
99.92366	0.2
104.68937	0.2
107.04958	40.1
115.05414	1.4
116.07076	1.7
119.04915	0.5
121.02876	0.3
121.06505	10.8
123.04420	5.3
128.47702	0.2
133.06477	0.4
135.04362	0.4
136.49417	0.3
137.05951	1.5
143.04933	7.9
145.06499	4.1
147.04362	0.4
147.08034	0.9
149.05959	0.5
157.13338	0.3
161.05975	7.8
163.07491	1.7
180.06599	0.4
180.10187	0.6
193.10913	0.3
209.09569	1.6
211.11107	0.3
226.06310	0.4
237.09058	2.3
239.10548	0.3
254.07977	1.1
255.10158	14.9
256.60745	0.3
257.11655	2.1
268.09680	1.2
282.13373	1.9
283.17667	0.3
284.09229	2.2
285.09906	6.2
300.08582	7.4
300.12289	16.8
300.15863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1592
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
58.06639	0.3
61.47036	0.3
66.57783	0.3
69.92785	0.3
73.48062	0.4
74.81368	0.3
75.50389	0.3
99.80743	0.4
107.04958	75.0
115.05424	0.7
119.04955	1.6
121.06493	4.2
131.04939	0.9
133.06465	0.6
137.05988	8.3
143.04947	8.3
145.06497	6.5
147.08046	1.9
151.07542	2.0
160.05191	1.5
162.05489	0.4
163.07579	2.1
175.06023	0.9
175.07530	18.3
178.08682	0.5
180.10184	0.7
191.08565	0.8
192.10204	2.2
194.07263	0.9
197.09633	3.9
209.09607	8.0
211.11227	0.8
219.08066	0.7
225.09094	2.9
237.09082	12.0
238.02719	0.4
239.10739	1.7
254.09454	2.0
257.11731	2.6
269.11716	22.5
271.13379	1.6
300.08893	6.8
300.15933	100.0
308.84668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.159
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
52.51999	0.9
52.54111	0.8
66.22439	0.9
88.25168	0.9
91.68863	1.0
107.04962	88.8
115.05485	2.1
119.04986	1.4
121.06488	4.8
131.04898	1.6
133.06470	1.3
137.05991	9.9
137.93150	1.0
143.04916	11.6
145.06525	8.4
151.07581	1.4
163.07506	2.4
175.07538	22.5
179.08369	1.5
180.08842	7.3
181.06400	1.6
181.10068	1.4
191.08186	1.5
192.08907	4.4
194.07068	1.5
197.09558	6.1
207.07974	4.5
208.08366	12.7
209.09608	10.8
210.06396	1.2
211.07277	1.4
221.05609	1.7
225.08698	9.3
234.39343	1.1
235.07430	2.4
236.07866	24.7
237.09052	13.8
238.09467	6.2
239.06670	1.4
239.10619	1.6
240.10962	10.0
252.11208	1.3
253.08148	1.8
254.09309	5.0
254.12466	1.4
256.06924	2.4
257.11719	3.5
268.10455	10.6
269.11667	21.4
270.08569	4.1
270.12045	8.4
271.09250	2.3
271.13351	1.6
282.12109	1.2
284.09705	1.4
285.10806	17.9
300.12946	64.2
300.15970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
53.24749	0.2
64.45731	0.3
65.86953	0.3
71.73277	0.3
95.04953	0.6
104.64277	0.3
107.04961	71.9
107.39187	0.3
110.02496	0.3
115.05476	1.9
117.07053	0.6
119.04964	1.6
121.06512	5.0
131.04915	1.8
133.06509	0.7
136.79762	0.4
137.05978	7.5
139.44411	0.3
143.04936	7.9
144.05754	0.3
145.06493	8.0
147.08057	1.3
149.05930	0.4
151.07538	2.0
160.05196	0.8
162.06741	0.4
163.07518	2.7
163.47423	0.3
175.07538	17.9
178.08665	0.5
180.10194	1.3
181.06560	0.4
181.10187	0.5
191.08583	0.6
192.10185	2.4
193.65836	0.3
194.07240	0.8
195.76385	0.3
197.09604	4.5
209.09624	8.5
211.07591	0.3
211.11243	0.6
219.08084	0.8
225.09042	2.6
231.21039	0.3
237.09088	12.7
238.09941	0.4
239.10612	0.6
254.09377	1.8
257.11710	2.9
268.13284	0.4
269.11725	21.8
271.13257	1.6
285.10089	0.5
300.15939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65302	0.6
56.94772	0.7
58.06605	85.6
59.44279	0.8
60.62728	0.7
63.32598	0.7
70.46033	0.8
71.78122	0.7
72.51625	0.9
78.40743	0.7
97.41609	0.9
97.71671	0.9
107.04955	27.7
107.05664	1.0
119.04881	0.9
121.06493	4.7
123.04426	1.9
129.13969	0.9
137.06000	1.9
143.04959	1.9
145.06508	1.8
147.08025	1.2
161.06010	9.7
162.05573	1.8
163.07497	1.3
164.07036	1.8
194.03503	0.8
195.43938	1.0
220.84854	0.9
231.01775	1.0
237.09035	1.0
255.10205	7.8
257.11679	1.0
300.08667	5.8
300.15912	100.0
312.01190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1591
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
60.33459	1.1
61.45312	1.1
61.91404	1.2
63.73949	1.3
74.99155	1.1
82.17420	1.3
92.53809	1.2
98.71849	1.4
107.04251	2.5
107.04962	74.0
115.05455	1.6
121.06514	6.1
135.01884	1.5
137.05989	7.8
143.04907	9.1
145.06487	8.6
147.08224	1.2
163.07600	2.2
175.07564	15.5
178.08733	1.5
180.08907	2.1
191.08360	1.4
192.10358	1.4
197.09634	2.9
208.08389	4.8
209.09595	10.1
219.08017	1.8
225.08832	5.5
236.07774	10.8
237.08960	14.4
238.09433	1.9
239.10555	1.7
240.10992	2.9
256.09561	1.7
257.11679	2.4
268.10428	2.7
269.11673	20.2
270.08072	1.2
270.11932	2.1
274.34399	1.3
285.10605	11.5
300.12796	30.4
300.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(R)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
52.55389	0.3
52.76221	0.4
57.37982	0.4
58.06615	0.8
59.19642	0.4
60.80132	0.4
92.21504	0.6
107.04958	71.6
115.05491	3.2
119.04943	0.5
121.02870	0.7
121.06510	7.2
131.04895	0.9
137.05977	8.2
137.66826	0.5
143.04924	15.2
143.79996	0.5
145.06482	8.5
151.07498	0.8
162.09126	0.8
163.07501	1.1
175.07565	7.1
180.10191	2.7
192.10214	7.2
194.07330	0.5
209.09621	5.4
219.08121	0.7
237.09146	9.7
251.10681	1.0
254.09401	0.7
269.11703	20.6
291.10800	0.5
297.94238	0.5
300.15945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55389	0.3
52.76221	0.4
57.37982	0.4
58.06615	0.8
59.19642	0.4
60.80132	0.4
92.21504	0.6
107.04958	71.6
115.05491	3.2
119.04943	0.5
121.02870	0.7
121.06510	7.2
131.04895	0.9
137.05977	8.2
137.66826	0.5
143.04924	15.2
143.79996	0.5
145.06482	8.5
151.07498	0.8
162.09126	0.8
163.07501	1.1
175.07565	7.1
180.10191	2.7
192.10214	7.2
194.07330	0.5
209.09621	5.4
219.08121	0.7
237.09146	9.7
251.10681	1.0
254.09401	0.7
269.11703	20.6
291.10800	0.5
297.94238	0.5
300.15945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(-)-4'-O-Methylcoclaurine
Peak:m/z	Relative Intensity
50.39082	0.5
53.83898	0.5
58.06601	2.5
70.06602	4.4
74.28133	0.6
84.08141	1.0
86.09718	1.1
104.34576	0.6
105.07030	1.4
107.04990	2.8
115.67344	0.6
120.46938	0.8
121.06506	92.6
123.04424	10.7
135.04431	0.7
135.08069	10.5
137.06029	1.4
138.06381	1.3
143.04933	10.2
145.06439	0.7
147.08061	1.3
149.05995	1.1
157.10915	0.9
158.18558	0.7
159.08040	6.6
161.05972	29.4
163.07581	0.8
166.08543	1.1
167.09030	1.1
168.10225	0.7
175.07588	0.9
176.08083	0.9
178.08617	6.0
198.05606	0.9
201.10339	1.1
202.10501	6.5
208.08788	0.9
211.11212	1.0
216.06755	1.2
217.07028	1.5
223.11247	2.6
236.16539	1.0
239.10751	0.8
242.19737	0.9
251.10837	3.6
256.09772	0.9
257.11853	2.6
269.11780	16.5
272.14893	4.4
282.13556	3.9
284.09329	3.1
285.09940	8.2
299.11157	1.3
300.12527	15.1
300.16052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2318
Annotation	Azitine
Peak:m/z	Relative Intensity
55.05505	4.7
56.45456	0.8
61.98093	0.9
62.06094	6.2
66.66767	1.1
67.05521	8.1
67.05807	1.1
69.07071	2.8
79.05486	7.4
81.07062	15.3
82.06582	1.6
91.05461	6.0
93.07043	11.5
93.53362	1.2
94.06567	2.2
95.08615	8.6
97.10204	1.1
105.07027	8.7
107.08582	7.3
109.10162	2.7
115.00543	1.3
117.07005	4.8
118.06507	1.4
118.95294	1.2
119.08572	10.3
120.08087	1.2
121.10152	4.1
122.09644	4.9
123.11700	1.1
129.07022	4.2
131.07240	1.3
131.08540	6.8
132.08087	5.2
133.10117	8.6
134.09627	4.0
136.11206	2.0
137.08319	1.1
143.08565	4.4
145.10100	7.2
146.09659	4.5
147.11690	5.1
157.10135	1.4
158.09731	1.1
159.11714	5.0
160.11215	6.8
161.13266	2.3
162.12791	2.4
163.11276	1.1
171.11673	5.9
172.11227	1.3
173.13197	2.2
174.12776	5.0
185.13225	1.4
188.14371	4.9
200.14351	1.4
214.15796	1.6
217.46458	1.3
218.15392	5.0
228.17245	1.1
259.20547	4.4
272.23694	5.7
282.22156	8.8
298.21649	2.1
300.23212	100.0
300.28751	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.0
55.08233	2.1
56.96584	18.6
57.03430	2.9
57.07085	41.3
60.08165	5.8
67.05517	23.8
69.07068	60.1
71.08632	24.6
72.08127	3.3
79.05490	3.7
81.07062	30.2
83.08627	49.0
85.10178	20.0
86.06073	2.9
86.09711	54.7
93.07054	15.3
95.08604	27.1
97.06533	19.5
97.10168	39.4
100.07616	10.1
104.10760	28.0
107.08587	13.9
109.10162	15.1
111.11710	14.9
112.99155	5.5
114.09171	3.9
121.10184	17.1
123.11730	3.8
124.99998	35.4
125.09628	13.7
128.10681	3.9
129.52426	10.0
131.00188	13.0
135.11693	25.7
135.12549	2.5
137.13297	3.1
138.52969	83.1
139.11156	4.2
139.63449	2.6
143.10596	2.5
147.53508	9.5
148.53194	2.2
149.01228	9.7
149.13297	15.0
150.03673	2.6
153.12749	3.8
157.53741	34.4
158.15836	2.7
158.54579	3.3
163.14790	4.5
166.54253	19.8
167.14273	3.9
181.02597	21.2
184.07353	61.1
191.17961	3.6
195.17413	2.8
198.96806	10.2
209.19019	2.7
210.96918	3.0
216.97821	2.9
228.97823	4.6
240.09941	63.2
242.62802	3.5
247.24208	15.0
265.25128	25.6
271.31836	2.7
279.61710	4.4
279.64688	100.0
280.14902	11.4
282.27887	57.9
283.26401	2.7
288.65167	21.2
300.28983	28.0
300.32541	11.7
319.19394	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.0
55.08233	2.1
56.96584	18.6
57.03430	2.9
57.07085	41.3
60.08165	5.8
67.05517	23.8
69.07068	60.1
71.08632	24.6
72.08127	3.3
79.05490	3.7
81.07062	30.2
83.08627	49.0
85.10178	20.0
86.06073	2.9
86.09711	54.7
93.07054	15.3
95.08604	27.1
97.06533	19.5
97.10168	39.4
100.07616	10.1
104.10760	28.0
107.08587	13.9
109.10162	15.1
111.11710	14.9
112.99155	5.5
114.09171	3.9
121.10184	17.1
123.11730	3.8
124.99998	35.4
125.09628	13.7
128.10681	3.9
129.52426	10.0
131.00188	13.0
135.11693	25.7
135.12549	2.5
137.13297	3.1
138.52969	83.1
139.11156	4.2
139.63449	2.6
143.10596	2.5
147.53508	9.5
148.53194	2.2
149.01228	9.7
149.13297	15.0
150.03673	2.6
153.12749	3.8
157.53741	34.4
158.15836	2.7
158.54579	3.3
163.14790	4.5
166.54253	19.8
167.14273	3.9
181.02597	21.2
184.07353	61.1
191.17961	3.6
195.17413	2.8
198.96806	10.2
209.19019	2.7
210.96918	3.0
216.97821	2.9
228.97823	4.6
240.09941	63.2
242.62802	3.5
247.24208	15.0
265.25128	25.6
271.31836	2.7
279.61710	4.4
279.64688	100.0
280.14902	11.4
282.27887	57.9
283.26401	2.7
288.65167	21.2
300.28983	28.0
300.32541	11.7
319.19394	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2895
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
53.10303	0.9
55.05513	1.1
57.07084	13.2
60.04520	1.3
62.06096	100.0
67.05499	1.9
69.07060	1.4
71.08635	9.6
74.79976	1.2
81.07061	1.7
83.08634	1.8
85.10175	5.6
92.21464	1.8
93.64632	1.0
95.08610	6.2
109.10179	2.2
109.75182	1.1
147.70164	1.1
190.03058	1.3
206.98112	1.1
282.27936	5.4
283.26273	8.3
300.25702	2.2
300.28970	36.6
300.32327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.069
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.63667	0.1
67.05512	0.3
69.83815	0.2
71.99789	0.2
72.87284	0.2
76.85781	0.2
81.07071	0.4
121.10165	0.2
145.10147	0.3
151.03934	0.3
153.01855	0.8
160.69615	0.2
165.07014	0.2
181.06433	0.3
182.51665	0.2
226.06316	0.2
241.08542	0.3
258.02518	0.2
258.05194	5.7
258.07748	0.3
259.10660	0.2
283.20557	0.2
286.04697	53.0
287.07422	2.0
301.07040	100.0
301.21506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Diosmetin
Peak:m/z	Relative Intensity
56.64370	0.6
90.04247	0.8
90.79621	0.6
121.10174	1.0
145.10056	0.8
153.01826	3.1
210.29053	0.9
241.08510	1.2
255.11270	1.8
258.05188	4.6
285.25195	0.9
286.04706	40.3
286.07898	1.7
301.07062	100.0
301.21631	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
50.28482	0.3
54.51698	0.3
62.94490	0.3
65.03944	0.5
65.49335	0.3
65.74429	0.3
76.60575	0.4
81.43708	0.4
93.03423	0.6
94.81651	0.4
95.04951	0.6
107.42677	0.4
110.54400	0.4
111.04409	0.5
121.02872	4.4
133.02840	2.6
135.04535	0.5
140.04695	2.6
151.03876	3.8
156.59641	0.4
163.03903	0.5
167.03384	11.0
179.03394	1.7
180.04158	2.2
192.04176	1.6
193.04939	1.8
197.04424	7.0
227.07022	1.6
233.08043	1.0
236.86240	0.4
245.08147	2.6
255.06586	2.7
256.07275	13.9
259.05966	0.8
273.07581	8.6
283.05856	0.7
284.06796	48.1
301.07059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
59.42197	0.3
59.74078	0.3
66.57944	0.4
67.02511	0.4
79.06073	0.4
81.07066	0.8
93.07030	0.9
95.08616	0.8
102.40449	0.4
105.07036	0.5
107.08627	1.4
109.10148	0.9
116.90157	0.4
119.08582	0.5
119.15237	0.4
121.06645	0.4
121.10115	0.6
131.08568	0.8
131.52863	0.4
133.06493	0.8
133.10106	0.5
135.04448	0.5
135.57651	0.4
145.10120	0.4
146.47603	0.4
147.11682	0.6
156.34134	0.4
159.11641	0.9
169.01244	0.7
173.13240	0.6
197.13159	0.7
199.14738	0.7
210.11671	0.4
255.06548	0.7
258.05243	6.4
283.06119	0.5
283.20651	1.6
283.24268	1.9
286.04691	11.4
301.07068	100.0
301.21606	3.1
301.25003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0892
Annotation	59-43-8
Peak:m/z	Relative Intensity
72.45511	0.7
100.98797	0.7
121.06510	8.2
122.06845	8.9
150.09073	0.8
157.90784	0.8
199.04341	0.7
283.13654	9.1
301.08926	100.0
301.14670	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42754	0.5
63.30717	0.6
71.29970	0.6
76.49217	0.8
91.63654	0.6
121.06516	9.5
122.06837	15.3
150.09106	0.8
151.09468	1.1
167.43724	0.7
199.04462	1.0
265.12619	1.3
283.13647	13.8
301.08951	100.0
301.14651	3.8
318.91714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.09
Annotation	59-43-8
Peak:m/z	Relative Intensity
51.52085	0.2
57.07078	1.0
58.06610	0.3
67.05505	1.4
69.03434	4.6
70.06597	0.3
71.04964	0.2
73.02923	0.9
79.05481	0.2
81.03423	1.5
81.07002	0.3
83.05019	0.8
85.02918	2.8
85.06557	1.1
95.04970	0.5
97.02893	1.4
97.63349	0.2
99.04436	1.0
109.02890	0.4
109.06535	0.3
111.04432	0.3
111.08170	0.3
113.05991	1.7
121.02883	1.0
121.06496	2.1
123.04450	0.3
127.03906	1.2
139.03946	0.5
145.04958	0.9
147.08028	0.2
147.33766	0.3
151.07484	0.3
158.11806	0.3
158.84985	0.2
187.07555	1.3
193.08568	1.0
205.08577	0.3
211.09630	0.3
211.71165	0.3
217.07039	0.5
239.08881	0.3
252.74707	0.3
255.08427	1.0
256.09534	0.3
257.09949	0.6
283.07925	6.4
286.06644	0.3
301.09006	100.0
321.23926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.09
Annotation	CHEBI:134496
Peak:m/z	Relative Intensity
51.52085	0.2
57.07078	1.0
58.06610	0.3
67.05505	1.4
69.03434	4.6
70.06597	0.3
71.04964	0.2
73.02923	0.9
79.05481	0.2
81.03423	1.5
81.07002	0.3
83.05019	0.8
85.02918	2.8
85.06557	1.1
95.04970	0.5
97.02893	1.4
97.63349	0.2
99.04436	1.0
109.02890	0.4
109.06535	0.3
111.04432	0.3
111.08170	0.3
113.05991	1.7
121.02883	1.0
121.06496	2.1
123.04450	0.3
127.03906	1.2
139.03946	0.5
145.04958	0.9
147.08028	0.2
147.33766	0.3
151.07484	0.3
158.11806	0.3
158.84985	0.2
187.07555	1.3
193.08568	1.0
205.08577	0.3
211.09630	0.3
211.71165	0.3
217.07039	0.5
239.08881	0.3
252.74707	0.3
255.08427	1.0
256.09534	0.3
257.09949	0.6
283.07925	6.4
286.06644	0.3
301.09006	100.0
321.23926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
74.39642	1.1
78.36473	1.1
78.89936	1.4
91.05473	7.5
102.73860	1.4
103.05418	1.4
105.03394	1.8
112.78950	1.3
141.34799	1.3
149.06035	1.7
167.08574	2.0
177.05470	39.1
181.04955	67.9
184.08922	1.3
195.08095	2.4
212.08362	2.4
223.07478	1.4
227.10664	100.0
240.07797	5.1
255.06407	4.5
255.10139	50.8
255.12704	2.7
283.09595	21.2
301.10724	33.0
301.29294	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
51.47493	0.5
55.98158	0.6
58.61068	0.6
67.05479	0.7
69.07030	0.7
74.58709	0.6
83.01337	3.5
91.05486	7.6
92.21600	1.3
93.07023	1.4
103.05453	2.6
105.03384	5.0
108.39899	0.9
116.54569	0.7
133.92981	0.6
149.06003	2.9
153.24019	0.7
166.07680	0.9
177.05475	50.5
178.07660	0.8
181.04956	75.1
181.10135	2.7
195.06389	1.3
197.05975	0.8
197.24690	0.8
199.11147	1.6
209.09610	3.3
212.08316	3.6
227.10661	100.0
237.09125	6.6
240.07785	5.0
254.09279	2.8
255.10156	58.7
283.06699	1.4
283.09634	27.1
283.12775	1.0
301.07010	3.5
301.10645	33.4
301.21561	1.1
305.50131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Onysilin
Peak:m/z	Relative Intensity
58.50523	2.0
59.29922	2.0
64.00318	2.8
71.04175	2.2
74.60314	2.3
83.01349	2.8
83.11414	2.6
91.05508	2.5
91.09971	2.2
98.07278	2.6
105.03356	2.5
105.63013	2.1
107.08509	2.3
117.99897	2.3
119.08556	3.0
119.38272	2.4
123.04406	3.0
128.42444	2.5
131.04922	16.5
131.08647	2.5
137.02357	16.6
151.03932	21.2
169.04906	4.6
177.05453	43.1
179.03395	44.9
181.04935	6.3
181.10199	3.0
185.05959	3.6
197.04442	55.1
199.07362	2.7
209.09578	3.8
223.88358	2.5
227.07213	3.0
227.10649	100.0
237.09026	4.2
255.10129	85.9
257.61615	2.7
283.09665	45.6
296.16302	2.7
301.07016	12.0
301.10657	50.9
301.21594	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	4.6
55.01866	6.5
57.03415	4.3
57.07089	9.9
60.74567	3.7
62.31650	4.2
63.86641	4.0
65.40437	3.8
67.05507	24.0
69.03439	78.0
73.02918	27.5
75.53864	3.9
81.03426	21.2
81.07069	4.5
83.04985	7.7
84.08144	6.0
85.02898	41.7
85.06548	24.7
86.08612	3.9
86.09728	7.2
87.04533	3.9
89.06026	31.1
90.06377	15.7
93.07055	9.4
95.04955	7.8
97.02901	17.0
97.06548	6.9
99.04438	17.7
104.76664	3.8
109.02924	7.7
109.06551	6.8
111.08071	7.6
113.06003	38.3
121.06519	34.7
127.03909	20.7
133.08617	9.9
139.07541	7.3
145.04968	8.2
151.07547	7.9
163.07582	4.9
167.06979	5.4
175.07475	6.6
182.93892	4.0
185.10979	4.0
193.08658	9.5
205.08542	4.5
211.09616	6.2
217.07013	17.6
255.08394	17.2
257.09924	6.9
259.11917	6.6
283.11432	9.4
284.17844	38.4
301.08939	100.0
301.12567	59.0
301.15701	5.3
302.12344	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Salidroside
Peak:m/z	Relative Intensity
53.03951	1.5
55.01882	2.4
55.05538	1.7
57.03455	1.7
57.07080	6.8
57.63570	1.2
58.78385	1.3
59.51473	1.3
61.02915	2.0
67.05513	16.8
69.03436	51.8
71.04993	6.8
71.42246	1.3
73.02928	12.8
79.05512	2.0
81.03419	12.3
81.07060	2.9
83.04984	5.7
85.02919	31.8
85.06544	17.8
87.04475	1.8
91.03986	1.8
91.86573	1.4
93.07047	7.3
95.04969	7.3
95.08594	2.1
97.02885	11.7
97.06530	9.9
99.04464	11.7
103.97903	1.4
105.91385	1.5
109.02873	5.7
109.06531	3.1
110.44119	1.3
111.04440	3.2
111.08114	2.3
113.06013	20.1
119.08628	1.9
121.02906	2.0
121.06502	25.7
122.06840	2.3
123.04420	3.4
123.08063	1.5
127.03935	13.5
133.06471	1.8
139.03908	2.9
139.07556	3.5
145.04962	6.2
145.06534	2.1
147.08063	7.3
151.07634	2.9
154.82080	1.5
158.11786	2.0
159.08043	2.4
163.07491	2.8
169.80194	1.5
175.07574	5.9
176.69493	1.5
187.07556	9.5
193.08614	9.0
199.06084	1.7
205.08606	3.2
211.09814	2.5
217.07021	11.3
271.89072	1.5
283.08026	5.5
283.11484	6.7
295.73010	1.6
301.09006	100.0
301.12601	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1432
Annotation	Myrigalon B
Peak:m/z	Relative Intensity
59.22237	0.8
59.53523	0.7
65.03935	0.8
79.05487	1.1
91.05479	85.5
97.44431	1.1
97.63394	0.8
105.07034	100.0
115.05415	4.4
133.06503	12.9
133.71655	0.9
157.06485	1.9
167.07016	1.7
169.08578	4.8
169.33711	0.9
181.08554	1.9
193.08702	1.1
197.07990	6.6
205.08574	5.8
223.11258	1.2
283.13239	4.9
301.14313	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28001	0.9
51.65133	1.1
51.73636	0.9
55.01874	2.0
55.05519	6.4
57.03445	2.5
66.31229	0.9
66.67535	0.9
67.05525	7.7
69.03435	1.3
69.07056	4.2
69.49004	1.0
71.04983	2.0
76.97754	1.0
79.05499	11.2
81.03442	1.3
81.07070	17.8
83.04977	2.6
83.08631	11.5
86.29709	1.0
91.05489	2.5
93.07053	32.0
95.04987	8.2
95.08611	42.9
97.02892	4.5
97.06537	4.6
99.04477	4.6
101.49249	1.0
103.59000	1.1
105.07019	4.1
105.94662	1.0
106.16125	1.1
107.04956	8.4
107.08606	29.1
109.06529	2.4
109.10199	2.6
111.04446	4.8
111.08108	1.1
112.02861	1.0
117.07028	5.2
119.08595	13.7
121.06519	7.3
121.10130	14.4
121.22166	1.0
125.05974	4.0
131.08588	2.0
133.10138	5.2
135.08070	1.5
135.11696	71.5
135.26279	0.9
139.07509	4.7
142.68478	1.2
143.81990	1.0
145.10129	39.2
151.84837	1.0
159.11642	1.6
163.11179	83.9
165.07063	1.1
167.74577	1.1
176.02162	1.1
181.12189	12.8
205.17114	1.1
227.12775	100.0
283.15421	64.8
301.07068	10.2
301.21564	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05521	6.2
55.39716	2.4
67.05518	12.4
69.07076	5.5
79.05476	4.9
81.07063	27.3
83.08609	3.1
91.05476	5.8
93.07048	24.0
95.04967	2.9
95.08601	28.3
97.06586	2.3
97.10139	2.7
104.18787	2.8
105.07016	26.7
107.08618	18.7
109.06518	5.4
109.10155	23.9
116.66602	2.5
119.08561	24.3
121.06499	3.2
121.10134	11.1
122.65315	2.2
123.11697	4.3
125.09644	2.7
129.07021	3.0
131.08585	22.6
131.72496	2.3
133.10132	19.8
135.08040	3.1
135.11708	4.9
137.13153	2.8
143.08571	14.7
145.10150	28.9
146.34361	2.5
147.11694	13.9
149.09608	3.9
149.13319	2.6
155.08441	3.1
157.10085	20.2
159.08049	3.6
159.11681	22.0
161.09560	3.7
161.13277	5.5
163.11205	3.4
169.10089	4.8
171.11699	14.9
173.09653	3.4
173.13272	10.1
175.14864	9.6
181.10159	4.3
183.11717	12.6
185.13268	14.1
187.11165	3.3
187.14806	5.6
195.11661	13.7
197.13307	18.7
199.11218	4.1
199.14844	30.4
201.12720	4.1
201.16476	4.5
209.13199	6.0
211.14815	6.2
213.12737	3.8
223.14790	11.0
225.16423	6.0
227.14325	8.8
227.17863	3.2
237.16193	3.1
239.17921	9.9
241.15739	3.5
241.19365	4.2
253.19420	4.6
255.20999	28.1
265.19659	20.0
271.20438	2.9
283.20599	50.9
286.04770	2.9
301.07034	34.8
301.14423	5.1
301.17908	14.0
301.21585	100.0
301.25146	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	6,7-Dehydrosandaracopimaric acid
Peak:m/z	Relative Intensity
55.05515	1.0
57.03428	1.0
67.05507	5.5
69.07064	2.2
77.08263	1.1
79.05501	1.9
81.07056	9.2
91.05471	5.7
92.21466	1.3
93.07040	6.4
95.08593	14.9
102.46526	1.1
105.07029	16.8
107.08611	15.2
109.10159	18.8
119.08580	5.7
121.10140	31.5
123.11705	4.9
125.09639	2.9
131.08545	4.8
133.10144	26.0
135.11703	17.5
139.11208	12.2
143.08525	4.9
145.10117	14.8
147.11690	37.0
147.12863	1.5
149.13213	1.4
159.11699	17.3
161.13246	10.0
167.10622	6.6
171.11635	1.5
173.13286	9.0
179.10619	2.6
185.13208	2.5
187.14781	2.2
189.12753	1.5
191.10689	1.8
193.12236	2.7
197.13197	1.3
199.14784	16.4
199.56905	1.3
201.16382	1.1
205.12212	5.5
213.16357	2.4
227.17937	2.1
245.15421	1.3
247.83727	1.2
255.21071	75.6
274.41342	1.3
283.20633	12.8
301.07126	1.4
301.21616	100.0
301.32996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.37757	1.4
66.79676	1.5
67.05490	2.5
69.07076	2.2
78.23840	1.6
81.07075	14.7
83.04974	8.0
85.06509	2.1
85.52644	1.9
91.05471	4.2
92.21545	2.2
93.07024	12.2
95.04958	4.0
95.08624	22.5
97.06517	11.3
105.07016	12.4
107.08574	13.6
109.06551	15.4
109.10165	14.5
111.04446	65.1
119.08591	13.9
121.10130	8.7
127.07572	3.0
131.08537	4.4
133.10155	18.3
135.07997	2.1
135.11682	8.7
143.08572	2.5
145.10130	10.8
147.11671	15.5
157.10109	3.3
159.11702	14.4
161.13263	10.4
163.14786	2.5
169.10170	2.1
172.52660	1.7
173.13257	4.0
175.14793	11.7
187.14853	3.9
191.17894	2.0
197.13225	3.1
199.14801	7.8
201.12741	2.0
201.16374	4.4
203.17972	20.2
223.14825	1.8
255.21011	2.5
283.20523	8.4
301.21582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05518	7.2
62.63682	1.7
67.05502	8.6
69.07069	7.6
71.04968	1.8
75.36483	2.0
79.05507	4.9
81.07068	18.8
83.04984	33.9
90.20351	1.6
91.05484	10.4
93.07047	12.9
95.04985	3.7
95.08611	19.2
97.06515	8.6
98.97594	2.2
99.04460	2.2
105.07061	17.0
107.08598	17.6
109.06507	13.0
109.10178	17.2
111.04440	49.2
116.98649	2.1
119.08578	17.6
121.10152	10.4
123.08083	3.8
126.99450	1.9
131.08537	13.7
133.10147	18.1
135.11697	11.6
143.08534	10.0
145.10146	15.4
147.11673	19.4
149.09595	2.4
157.10114	10.1
158.99661	9.3
159.11707	18.1
161.13268	14.4
163.14888	2.7
169.10109	3.2
170.10857	2.1
171.11707	8.7
173.13312	16.0
175.14827	11.1
177.00719	10.8
183.11700	4.0
185.13263	4.8
187.14796	10.2
189.16339	2.7
191.14325	2.4
191.18033	2.1
195.11699	2.3
197.13260	9.0
199.14798	11.4
201.16374	17.3
203.14377	2.3
203.17946	10.7
207.33441	1.8
223.14758	2.0
225.16354	8.3
227.14285	2.2
227.17920	2.3
255.21104	4.0
265.19623	3.3
269.12207	20.1
283.20587	19.0
283.24127	7.5
301.21625	100.0
301.25259	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
55.05512	4.0
67.05502	8.8
67.53492	1.8
69.03421	2.6
69.07053	9.6
71.04979	2.2
79.05486	9.1
81.07056	33.9
83.04970	31.7
83.08619	2.7
91.05470	5.0
93.07028	22.1
95.04966	3.3
95.08624	17.3
97.06512	3.4
100.21472	1.9
105.07037	23.5
106.57517	2.0
107.04958	2.3
107.08579	30.0
109.06505	15.0
109.10125	13.5
117.07031	3.5
119.08543	20.3
120.06126	2.4
121.06503	9.2
121.10149	17.6
123.08052	8.0
123.11705	3.2
129.06995	3.8
131.08542	11.8
133.10104	15.2
135.08086	10.4
135.11690	4.6
143.08539	12.8
145.10095	21.6
147.08023	3.5
147.11679	12.8
149.09593	39.5
149.13257	3.2
151.11212	15.8
157.10147	11.7
159.08066	3.5
159.11690	12.1
161.09509	7.5
161.13263	3.0
163.11166	41.5
169.10161	4.0
171.08018	2.9
171.11714	9.4
173.09549	3.0
173.13231	12.7
175.11162	4.3
183.11745	4.2
185.13278	9.9
187.11127	16.7
189.12752	12.6
195.11679	4.2
197.13298	9.0
199.14839	3.4
202.13423	4.3
209.13303	5.0
215.14291	96.1
219.13837	8.8
223.14827	3.9
227.14430	3.8
241.08478	3.1
253.19533	4.6
255.21049	3.6
265.19461	8.2
283.20456	28.6
301.07007	16.4
301.10416	9.7
301.18219	6.0
301.21561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05519	1.3
55.25920	1.1
56.77505	1.1
57.09212	1.1
57.47510	1.2
61.70505	1.3
65.07263	1.0
67.05499	2.5
69.07063	2.5
71.05015	1.3
76.92822	1.2
78.83978	1.1
79.05491	2.8
81.07065	14.5
83.04999	9.4
83.08627	1.3
91.05458	5.2
93.07040	10.3
95.04981	4.0
95.08607	15.5
97.06522	6.4
105.07037	10.7
107.08588	9.4
109.06522	11.6
109.10162	11.3
111.04446	37.6
117.06982	1.9
119.08579	12.0
121.10139	9.6
123.11668	1.7
125.09646	1.4
131.08551	5.4
133.10136	14.0
135.11661	6.9
143.08572	2.9
145.10123	9.8
147.11674	13.7
153.07024	1.5
157.10110	2.8
159.11667	10.5
161.13190	10.6
163.14914	1.5
165.06982	2.1
169.10086	2.1
171.11710	6.0
173.13245	8.1
175.14857	8.9
181.06538	2.7
183.11887	1.3
185.13252	2.7
187.14838	2.3
195.07860	1.6
195.11746	1.8
197.13246	2.4
199.14861	8.8
201.12764	1.8
201.16402	5.6
203.17938	11.3
203.19595	1.3
209.13235	2.2
223.14757	2.3
225.16322	1.4
226.06242	2.3
241.08730	2.2
255.21089	7.1
265.19479	2.1
269.06366	2.3
283.20407	12.1
301.10611	17.5
301.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
53.77677	0.9
55.01878	1.3
55.05516	6.6
57.03443	1.8
57.07075	2.1
63.50012	1.1
67.05515	8.5
69.03436	1.9
69.07072	8.5
69.08104	1.1
71.04998	2.6
76.58549	1.0
79.05509	9.0
81.07065	28.1
83.04982	4.2
83.08627	4.3
85.06570	1.3
87.04514	1.4
89.37450	1.2
91.05483	12.6
93.07042	23.9
95.04977	4.6
95.08604	27.1
97.06532	6.4
97.10193	2.4
99.08105	1.9
105.07038	29.8
106.07382	1.8
107.08600	27.3
109.06530	6.6
109.10167	15.6
111.08083	4.6
117.07033	4.9
118.28502	1.1
119.08588	25.1
121.06548	2.4
121.10137	25.8
123.08080	8.4
123.11730	4.5
125.09658	8.7
129.07037	5.5
131.08574	23.7
133.10130	21.2
135.08080	6.2
135.11687	8.9
137.09642	5.2
141.06979	1.6
143.08569	19.5
145.10126	28.0
147.11688	19.5
149.09660	7.3
149.13283	1.8
151.11176	1.8
155.08594	6.4
157.10132	20.6
159.08084	1.6
159.11711	23.9
161.09653	4.6
161.13251	10.7
163.11182	4.6
165.07135	1.8
165.09045	1.3
167.08565	4.8
167.10680	2.2
168.09302	1.7
169.10124	14.8
170.10896	1.7
171.11671	21.6
173.09613	1.7
173.13258	17.4
175.11212	6.1
175.14857	1.7
177.12782	1.1
180.09335	1.2
181.10144	9.1
181.90976	1.1
182.10974	2.9
183.11690	24.2
185.09721	1.5
185.13278	22.2
187.11267	2.0
187.14844	15.5
189.12743	2.0
191.14391	1.9
193.10146	1.3
194.10983	1.4
195.11694	20.5
197.13261	40.3
199.14828	43.7
201.12790	2.4
201.16350	9.5
207.11731	1.6
208.12506	1.5
209.13258	22.2
210.14037	1.2
211.14890	8.7
213.12759	2.1
213.16472	8.4
213.18338	1.1
215.14348	5.5
215.17953	2.0
221.13164	2.3
222.14044	2.3
223.14813	20.9
225.16405	14.3
227.14249	5.8
227.17924	9.6
236.15623	4.7
237.16429	8.1
239.17918	2.6
241.15878	4.2
241.19408	2.5
243.17426	2.2
250.17224	1.6
252.18738	2.5
253.19371	9.3
255.17354	2.2
255.21062	12.7
258.05283	2.0
265.19501	31.1
270.19919	1.5
271.20590	6.8
283.20560	72.4
286.04889	5.6
301.07062	47.1
301.10501	4.3
301.21658	100.0
308.19275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83745	1.0
55.05514	8.0
56.05050	5.2
56.61575	1.2
57.07083	2.2
58.07427	1.6
60.04535	100.0
60.04844	3.4
61.04224	1.6
61.04880	10.7
64.59155	1.2
67.05509	12.2
68.05853	2.4
69.07058	12.3
70.07404	2.3
76.78763	1.2
78.59068	1.1
79.05489	8.3
80.05838	3.0
81.07059	12.8
82.07391	6.0
83.08617	8.3
84.08979	2.2
86.06052	1.4
90.38345	1.4
92.21533	2.5
93.07059	11.1
93.07630	1.3
94.07382	6.6
95.08611	10.5
95.50305	1.4
96.08936	6.0
97.06506	1.4
97.10140	1.9
107.08607	7.9
109.10164	5.9
110.10490	2.7
113.22645	1.5
121.10150	7.3
122.10509	7.9
130.07718	1.3
135.11691	5.5
136.12027	1.6
152.27521	1.3
181.64243	1.5
247.24123	1.4
249.78029	1.4
265.27292	3.3
265.89636	1.4
283.28244	65.0
291.13821	1.5
301.21826	3.3
301.29337	73.8
301.32785	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1021
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
51.98080	0.7
70.06577	1.0
85.02878	0.8
86.09702	4.3
107.04945	4.9
132.04424	1.5
137.02327	1.5
137.05937	1.6
140.07002	0.8
143.04897	1.2
151.03831	1.3
161.05971	1.9
164.07054	3.9
240.06580	1.0
256.09576	1.6
258.07617	31.2
269.06924	1.3
269.09912	3.0
270.07535	3.0
270.10275	14.4
284.06152	0.9
284.08920	7.4
286.07126	23.3
287.07864	36.8
302.06787	4.4
302.10172	100.0
302.13553	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67263	0.4
66.17886	0.3
81.91220	0.4
87.04469	2.1
99.04447	0.7
111.75144	0.3
179.68098	0.4
185.08247	0.6
216.10204	2.0
231.92174	0.4
243.08804	0.8
256.09872	0.5
258.07672	0.9
259.08206	0.8
260.54233	0.4
265.10330	0.4
269.06818	6.0
271.11951	0.6
272.09100	0.9
274.10764	0.6
284.09155	6.9
287.07874	26.4
302.10223	100.0
302.13416	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48800	0.2
70.06571	0.2
86.09700	1.1
123.07184	0.2
162.67690	0.2
180.28618	0.2
213.15932	0.3
240.06480	0.3
241.07442	0.4
243.08852	1.1
256.09543	0.8
258.07596	1.1
258.11145	0.3
259.08389	0.8
261.24911	0.2
269.06802	5.1
272.09140	1.2
274.10736	0.4
284.09183	5.9
284.12241	0.4
287.07870	24.2
302.10217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.102
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
50.67263	0.4
66.17886	0.3
81.91220	0.4
87.04469	2.1
99.04447	0.7
111.75144	0.3
179.68098	0.4
185.08247	0.6
216.10204	2.0
231.92174	0.4
243.08804	0.8
256.09872	0.5
258.07672	0.9
259.08206	0.8
260.54233	0.4
265.10330	0.4
269.06818	6.0
271.11951	0.6
272.09100	0.9
274.10764	0.6
284.09155	6.9
287.07874	26.4
302.10223	100.0
302.13416	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1022
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
56.62067	0.5
56.94006	0.5
65.57681	0.5
70.53413	0.6
76.54832	0.7
79.05505	4.1
84.46206	0.6
93.07027	0.7
98.50834	0.6
102.13448	0.6
103.04814	1.1
103.05477	29.0
105.03410	0.7
105.11831	0.6
107.04964	14.2
108.04475	3.0
118.06582	1.2
119.07335	2.8
120.04477	1.4
124.03915	2.6
131.04922	17.2
134.06020	7.2
136.03955	3.3
149.05957	4.5
150.05502	0.7
152.03421	7.9
153.04199	5.5
154.04985	2.4
160.03920	8.2
164.03387	9.0
166.05052	1.4
178.04984	3.0
211.09891	1.4
212.10759	4.9
220.07571	0.6
238.08557	9.1
256.09677	100.0
302.07233	1.6
302.10321	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03440	1.1
57.84702	0.6
61.02925	1.3
61.35316	0.5
67.05510	11.5
69.03436	8.7
69.07076	4.5
70.06580	0.9
73.02899	0.8
81.03419	4.0
82.29379	0.6
85.02911	32.3
94.06575	1.0
95.04973	42.1
97.02897	28.5
99.04463	3.3
99.75607	0.7
103.03954	3.5
109.02900	7.8
112.07608	32.9
113.05974	1.2
121.06510	3.7
122.06063	1.2
123.04412	0.8
124.07560	1.1
127.03903	4.2
133.05254	0.7
136.07561	0.9
140.07071	100.0
142.08688	0.9
145.04941	3.2
152.07143	0.9
154.08638	8.0
158.08096	0.9
164.07088	1.0
178.08646	4.5
180.10146	2.7
182.08128	51.7
204.10262	3.5
206.08080	10.3
218.08160	1.4
236.09105	1.2
248.09134	7.5
266.10413	0.9
267.85065	0.7
276.65912	0.8
284.11423	1.1
302.09250	11.3
302.14078	6.9
304.96909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90488	0.9
53.03954	2.3
55.01872	1.0
58.06611	1.1
60.05659	38.7
62.43317	1.0
62.73431	1.2
68.05015	1.6
69.03429	2.6
70.06599	62.2
71.05003	2.7
72.00383	1.1
75.75066	1.3
80.05005	2.4
81.03417	14.4
84.04495	1.8
84.08096	1.2
85.02888	6.2
86.03557	1.3
95.06026	1.4
97.02884	5.8
98.03564	9.3
98.06040	14.8
99.04459	26.0
100.05106	2.5
108.04510	1.8
109.02897	19.5
112.05062	6.2
112.06831	2.2
112.07607	60.1
114.06624	2.4
116.07098	18.8
124.05148	1.6
126.05528	5.9
126.06603	1.3
127.03934	7.4
140.03392	1.3
140.07063	15.5
140.08133	4.0
144.06514	1.9
150.06622	6.4
158.08130	14.9
164.07007	5.3
167.41875	1.3
168.07663	15.8
184.09702	5.1
185.09303	1.6
186.08745	20.9
204.09796	18.8
207.87585	1.2
221.18008	1.4
238.08669	1.8
261.62738	1.4
263.98474	1.2
266.08063	9.8
284.09109	7.8
284.12192	14.4
302.07309	2.6
302.10150	15.9
302.13412	100.0
306.41461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51255	0.7
65.59304	0.7
67.05535	0.7
69.03444	1.9
71.06820	1.0
84.08155	1.2
85.02921	4.0
86.03283	0.9
86.09705	5.4
95.04974	4.9
97.02899	1.5
99.04470	1.1
99.68219	0.9
107.04965	1.2
109.06491	0.9
112.07616	3.5
115.05470	3.8
121.06525	3.5
123.04433	5.2
127.03947	1.3
137.05992	58.0
140.07059	7.5
143.04932	30.1
151.07608	3.3
161.05977	41.6
164.07066	100.0
175.07573	1.9
175.63824	1.0
182.08173	6.3
191.00681	1.1
192.04478	1.1
207.07939	1.7
253.08557	2.1
258.07724	1.1
284.09149	2.0
285.11249	13.9
287.07736	1.7
302.09918	13.7
302.13821	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1388
Annotation	(S)-6-O-Methylnorlaudanosoline
Peak:m/z	Relative Intensity
54.51255	0.7
65.59304	0.7
67.05535	0.7
69.03444	1.9
71.06820	1.0
84.08155	1.2
85.02921	4.0
86.03283	0.9
86.09705	5.4
95.04974	4.9
97.02899	1.5
99.04470	1.1
99.68219	0.9
107.04965	1.2
109.06491	0.9
112.07616	3.5
115.05470	3.8
121.06525	3.5
123.04433	5.2
127.03947	1.3
137.05992	58.0
140.07059	7.5
143.04932	30.1
151.07608	3.3
161.05977	41.6
164.07066	100.0
175.07573	1.9
175.63824	1.0
182.08173	6.3
191.00681	1.1
192.04478	1.1
207.07939	1.7
253.08557	2.1
258.07724	1.1
284.09149	2.0
285.11249	13.9
287.07736	1.7
302.09918	13.7
302.13821	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1385
Annotation	Augustamine
Peak:m/z	Relative Intensity
58.06613	5.6
59.06948	0.9
70.06572	0.9
74.75683	0.6
80.65490	0.8
87.04471	37.1
94.10087	0.6
99.04456	3.9
114.23573	0.7
180.08118	1.2
184.07578	1.6
185.08356	22.8
186.09076	0.8
216.10193	46.1
258.07706	5.5
269.06866	2.9
270.11285	1.2
271.12030	15.0
284.09283	5.9
287.07861	24.5
302.06757	6.0
302.10196	100.0
302.13858	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97326	0.4
58.06561	1.8
59.58668	0.4
68.49922	0.4
70.06549	2.4
72.24190	0.3
73.65092	0.4
86.06041	0.6
86.09647	2.8
87.04415	1.7
98.06059	8.9
106.42943	0.5
112.07587	1.4
116.07098	11.2
124.63467	0.4
125.94754	0.4
132.10159	0.4
136.92036	0.4
153.07005	0.7
181.06471	3.2
197.05917	1.9
201.05482	1.0
209.33110	0.4
211.07507	0.6
213.09108	0.8
214.06245	0.5
225.05351	0.6
227.06982	0.5
229.08598	0.6
242.05719	28.1
256.18900	0.4
257.08069	100.0
266.04391	0.4
302.13895	24.1
302.19452	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1386
Annotation	Augustamine
Peak:m/z	Relative Intensity
58.06596	0.8
61.65218	0.3
67.05500	0.7
69.03444	0.7
70.06580	2.2
81.03418	0.5
82.58147	0.4
84.08173	0.6
85.02893	2.4
86.09702	0.5
95.04961	2.7
97.02882	2.2
99.04439	2.4
107.04981	1.5
109.02872	0.6
109.95705	0.4
112.07609	2.0
121.02848	2.5
121.06494	4.1
121.16996	0.4
123.04382	0.5
127.03934	0.5
136.11218	5.3
137.17757	0.5
140.07065	5.0
152.07027	0.4
154.12183	0.4
176.10698	0.7
180.10185	34.7
182.08083	3.2
186.09129	0.7
196.43405	0.4
204.10194	44.6
236.40645	0.4
248.09024	0.6
273.07315	0.5
284.12753	0.5
290.06552	0.5
302.13852	100.0
324.00378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	Cocculitine
Peak:m/z	Relative Intensity
55.47900	0.6
56.05033	0.7
58.06608	8.8
61.40553	0.6
68.24520	0.6
69.03448	0.8
70.06596	10.0
72.08141	3.7
79.05511	1.8
81.07053	1.1
84.08115	1.0
86.09700	6.6
91.05485	3.5
94.07079	0.7
95.04955	1.1
97.06486	1.2
99.04459	1.0
105.07047	0.9
109.06512	1.1
112.07603	4.6
129.07013	1.2
137.05952	4.2
140.07030	1.8
141.91887	0.8
143.11789	3.0
159.09138	3.2
163.07523	1.0
167.08560	2.9
171.11284	1.7
175.07507	5.3
176.08356	1.4
177.09097	1.3
178.07735	1.0
180.10109	1.4
181.06419	2.8
187.07549	3.8
190.08574	8.2
191.09404	1.5
192.10239	1.1
193.06473	1.1
193.10129	10.4
195.08041	6.1
201.09065	1.9
204.10181	3.9
206.07236	1.1
209.09656	1.2
211.07536	3.2
212.08388	1.3
213.09087	1.3
221.09634	16.7
224.08275	1.5
225.09100	5.3
227.10678	11.6
229.12192	1.5
238.09811	4.9
239.10699	0.9
241.12286	1.7
243.13779	1.6
245.11771	5.4
253.12253	16.0
258.11169	1.0
259.98386	0.8
271.13248	7.3
284.16403	5.2
285.12283	1.3
287.11176	1.0
302.13910	5.2
302.17468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	Cocculitine
Peak:m/z	Relative Intensity
51.18024	0.7
56.13375	0.9
58.06610	7.7
61.42947	0.8
69.91004	0.8
71.40377	0.8
79.05489	1.6
81.07055	3.6
84.08126	0.8
86.09679	1.5
88.11577	0.8
91.05450	2.2
97.06535	1.4
99.04435	1.0
105.07045	1.1
107.11182	0.9
132.08105	1.3
137.05974	3.7
145.06516	1.6
159.09178	1.1
163.07497	3.7
167.08537	2.1
175.07515	7.0
176.08212	1.1
177.09151	1.7
181.06496	2.0
183.48419	0.9
187.07504	3.7
190.08577	6.8
191.09451	1.4
193.06544	1.3
193.10097	10.2
195.08034	5.5
201.09145	1.4
204.10225	4.0
209.09677	1.2
211.07495	1.5
211.11130	1.5
213.09096	1.5
221.09602	15.6
224.08327	1.8
225.09113	4.8
227.10654	11.1
229.12111	1.1
238.09772	4.3
239.10645	1.4
243.13791	1.0
245.11702	6.1
253.12218	17.7
271.13245	6.7
284.16394	6.8
302.13943	4.7
302.17468	100.0
322.10373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47900	0.6
56.05033	0.7
58.06608	8.8
61.40553	0.6
68.24520	0.6
69.03448	0.8
70.06596	10.0
72.08141	3.7
79.05511	1.8
81.07053	1.1
84.08115	1.0
86.09700	6.6
91.05485	3.5
94.07079	0.7
95.04955	1.1
97.06486	1.2
99.04459	1.0
105.07047	0.9
109.06512	1.1
112.07603	4.6
129.07013	1.2
137.05952	4.2
140.07030	1.8
141.91887	0.8
143.11789	3.0
159.09138	3.2
163.07523	1.0
167.08560	2.9
171.11284	1.7
175.07507	5.3
176.08356	1.4
177.09097	1.3
178.07735	1.0
180.10109	1.4
181.06419	2.8
187.07549	3.8
190.08574	8.2
191.09404	1.5
192.10239	1.1
193.06473	1.1
193.10129	10.4
195.08041	6.1
201.09065	1.9
204.10181	3.9
206.07236	1.1
209.09656	1.2
211.07536	3.2
212.08388	1.3
213.09087	1.3
221.09634	16.7
224.08275	1.5
225.09100	5.3
227.10678	11.6
229.12192	1.5
238.09811	4.9
239.10699	0.9
241.12286	1.7
243.13779	1.6
245.11771	5.4
253.12253	16.0
258.11169	1.0
259.98386	0.8
271.13248	7.3
284.16403	5.2
285.12283	1.3
287.11176	1.0
302.13910	5.2
302.17468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08070	0.4
58.06601	3.0
62.98444	0.6
66.72172	0.5
69.03432	0.6
70.06596	9.8
72.08157	0.5
85.06535	0.7
86.06066	6.4
86.09709	3.2
87.04469	12.1
89.15803	0.5
92.21472	0.7
98.06054	63.0
112.07603	4.4
116.07092	75.1
119.07370	0.6
121.06454	0.7
135.11688	0.8
140.07077	0.6
163.11163	2.5
181.06476	3.2
181.12219	0.7
196.05026	0.7
197.05966	2.3
198.14896	0.8
201.05379	0.6
223.16559	0.7
225.05444	1.4
229.08583	0.9
242.05713	29.0
257.08069	100.0
266.17325	0.9
284.18530	1.0
302.10257	0.9
302.13977	27.8
302.19592	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08070	0.4
58.06601	3.0
62.98444	0.6
66.72172	0.5
69.03432	0.6
70.06596	9.8
72.08157	0.5
85.06535	0.7
86.06066	6.4
86.09709	3.2
87.04469	12.1
89.15803	0.5
92.21472	0.7
98.06054	63.0
112.07603	4.4
116.07092	75.1
119.07370	0.6
121.06454	0.7
135.11688	0.8
140.07077	0.6
163.11163	2.5
181.06476	3.2
181.12219	0.7
196.05026	0.7
197.05966	2.3
198.14896	0.8
201.05379	0.6
223.16559	0.7
225.05444	1.4
229.08583	0.9
242.05713	29.0
257.08069	100.0
266.17325	0.9
284.18530	1.0
302.10257	0.9
302.13977	27.8
302.19592	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07655	0.7
57.03458	0.8
67.97185	0.8
69.03438	2.1
70.01718	0.8
70.06594	19.9
70.25671	0.8
71.63013	0.8
73.56647	0.8
81.07050	1.5
84.04512	1.5
84.08115	0.7
85.06528	3.5
86.06068	19.4
86.09717	12.4
86.17619	0.9
87.04473	29.3
92.21580	0.9
93.07065	1.1
97.06531	1.3
98.06057	69.1
99.90382	0.9
107.08622	1.1
112.07606	29.2
116.07095	88.0
121.06521	1.4
121.10128	2.1
123.04384	1.4
126.09144	0.9
134.22397	1.0
135.11659	3.8
138.09146	0.9
140.07031	7.2
143.11781	1.8
145.10120	2.1
153.12744	1.9
156.10194	1.5
163.11163	12.2
173.45714	1.0
180.13821	4.2
181.12247	1.1
190.52571	1.0
198.14902	5.9
202.08554	0.9
204.73871	1.0
210.02464	0.8
258.77634	0.9
266.17648	3.6
276.03964	1.0
284.18573	5.1
302.14038	3.6
302.19629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2477
Annotation	(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide
Peak:m/z	Relative Intensity
54.99851	0.4
55.05522	0.7
56.44425	0.4
57.07065	1.9
58.06594	0.7
60.04531	0.7
64.87155	0.4
67.05502	0.9
69.07068	0.6
70.06578	1.1
71.08624	1.1
79.05506	0.5
81.07062	5.3
81.82381	0.4
85.10187	0.7
86.06065	0.6
88.07626	2.9
91.05479	0.6
93.07048	2.3
95.08606	3.9
97.10155	2.1
102.09211	0.7
105.07043	2.4
106.08675	2.0
107.08580	4.2
109.10143	4.2
119.08569	3.0
121.10162	3.9
123.04670	0.4
123.11711	6.3
133.10150	2.5
135.11694	4.2
137.13371	0.6
145.10109	0.7
147.11714	3.4
149.13254	5.0
154.12312	2.1
157.00345	0.4
159.11674	0.7
161.13261	2.8
163.14827	0.8
166.12231	2.2
167.97519	0.5
168.13779	0.5
173.13284	2.1
175.14833	2.5
177.12808	0.7
180.13846	0.6
187.14821	2.9
201.16357	3.2
240.26857	12.7
257.22534	4.3
267.20895	0.5
284.29523	1.9
285.21973	0.5
302.24789	100.0
302.30301	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99156	0.8
57.07080	9.1
61.17633	0.8
69.40927	0.9
70.06590	6.1
71.08631	6.0
75.29285	0.7
85.10191	1.3
88.07635	39.2
102.09171	7.5
110.28083	1.0
116.07090	0.9
134.08087	7.2
143.63373	0.9
157.28400	0.9
168.84073	1.0
187.97659	1.0
201.29796	1.2
224.14473	1.0
252.42476	1.0
256.26337	90.8
284.25827	2.1
302.07779	2.4
302.26895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12923	0.6
56.05036	0.9
57.07076	1.7
59.47284	0.5
63.84958	0.6
64.38200	0.8
71.08623	1.4
71.86597	0.6
73.54013	0.7
74.06083	7.8
80.41504	0.8
88.07632	100.0
98.06051	1.2
107.98901	0.7
180.71117	0.6
207.36090	0.8
242.24770	76.5
284.25714	1.1
302.17538	1.5
302.26898	97.3
311.63074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.63354	1.1
55.05511	8.3
56.05042	1.8
56.55369	1.1
57.07072	5.9
60.04530	100.0
67.05501	15.2
69.07071	11.8
70.06589	2.5
71.04995	1.6
71.08633	2.2
81.07053	22.8
83.08623	13.0
90.44751	1.2
95.08598	28.4
97.10150	8.4
97.39368	1.5
109.10167	10.1
111.11711	1.8
123.11713	2.1
134.05923	1.4
137.13275	1.7
153.39688	1.5
156.58694	1.3
240.26862	2.6
254.28445	21.8
266.28470	10.0
284.29449	69.5
302.25101	2.4
302.30536	74.7
312.44385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
53.82990	0.3
54.40545	0.3
57.07082	4.5
57.29339	0.3
58.06601	0.3
70.06239	0.4
70.06596	6.6
71.08640	2.7
85.10184	1.9
85.47883	0.3
88.07626	14.2
90.44341	0.4
95.50601	0.3
102.09184	3.4
106.08678	11.5
108.94327	0.4
111.14644	0.3
148.64365	0.4
166.14120	0.3
210.14061	0.4
245.44081	0.3
258.27994	0.6
268.38330	0.4
279.90964	0.4
284.29486	8.1
284.60812	0.4
292.82327	0.3
302.30530	100.0
311.48444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89110	0.5
70.36127	0.5
77.25652	0.5
98.97595	4.6
116.98613	2.5
161.70453	0.6
177.00970	1.0
219.01994	7.3
220.02094	0.9
225.00812	0.9
243.01976	4.5
244.02074	0.8
256.96774	5.3
261.03046	100.0
262.00031	2.1
262.03168	25.7
274.97455	0.7
279.00677	2.2
279.98215	2.1
280.01010	3.6
284.99759	1.9
303.00748	2.7
303.05707	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03359	0.2
85.06864	0.2
86.34041	0.2
99.04482	0.4
99.86555	0.3
109.02887	0.3
111.00803	1.0
121.02893	1.0
137.02364	3.2
137.06114	0.3
153.01840	3.6
163.03964	0.4
165.01868	3.1
166.16855	0.3
175.65355	0.3
183.02870	1.0
201.05498	1.3
218.03932	0.3
229.04945	5.2
247.06003	1.4
248.05553	0.2
257.04407	3.6
257.19351	0.3
274.04709	1.1
275.05432	0.4
285.03925	2.3
296.96960	0.3
303.04987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22337	0.1
68.99789	0.2
86.84021	0.1
93.03397	0.2
95.04988	0.1
102.83006	0.1
104.03905	0.1
109.02892	0.2
111.00806	1.5
121.02867	1.4
137.02335	3.8
149.02345	0.6
153.01826	4.0
153.58116	0.1
161.05960	0.2
161.17227	0.1
163.03876	0.7
165.00452	0.2
165.01828	3.5
166.02583	0.6
173.05920	0.2
179.73642	0.1
183.02914	1.5
183.04433	0.2
187.03856	0.2
195.02827	0.4
201.05431	1.7
213.05493	0.2
215.03442	0.1
219.02812	0.2
219.06569	0.5
226.03815	0.1
229.04942	5.5
247.06067	1.2
257.04443	4.9
274.04761	1.0
275.05502	0.6
285.03873	2.8
303.04980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
58.06594	0.4
59.06950	0.3
66.57583	0.2
66.75251	0.2
68.99790	0.5
70.46059	0.3
73.58287	0.3
81.03419	0.4
81.56264	0.3
83.04980	1.3
85.02895	0.4
87.04460	1.4
92.20881	0.3
93.03437	0.4
95.08537	0.3
99.04444	1.5
109.02896	0.6
111.00803	1.8
113.21262	0.3
119.01939	0.5
121.02856	1.4
123.04390	0.3
127.03960	0.5
129.04033	0.4
131.01884	0.5
137.02332	4.7
137.05977	11.8
141.04095	0.3
145.03571	0.4
149.02313	0.6
153.01830	3.3
155.04924	0.3
159.05002	1.5
163.03885	0.7
165.01805	3.3
173.02933	0.7
177.06172	0.5
183.02895	0.5
183.04996	0.5
185.06355	0.3
186.08681	0.6
191.03444	0.5
195.04991	0.6
201.06000	3.3
203.04112	1.2
207.04935	0.5
213.05496	13.1
215.03352	2.5
215.07652	0.3
216.10284	0.5
217.10580	2.1
219.02887	1.8
219.06651	0.3
221.05075	6.6
223.03880	1.9
225.05925	0.4
229.04964	6.5
237.06084	0.7
239.03333	0.4
247.06094	1.2
257.04419	7.7
272.12314	0.7
273.08047	0.3
274.04755	1.3
275.05676	0.3
275.08829	0.4
285.03928	21.2
285.08374	0.6
303.05011	100.0
303.09146	12.9
303.13870	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Delphinidin
Peak:m/z	Relative Intensity
53.95912	0.2
59.09664	0.3
61.91766	0.3
64.82357	0.3
67.05498	0.3
80.30924	0.3
81.03429	0.3
81.63331	0.3
87.04464	1.9
95.04971	0.4
97.02880	0.4
98.66042	0.3
109.02871	0.4
111.00770	0.6
121.02871	0.7
121.06508	0.5
127.03892	0.4
137.02351	3.6
137.05988	1.5
140.07076	0.4
146.05954	0.6
149.02365	0.4
153.01862	3.0
164.07014	0.8
165.01817	2.4
166.02621	0.4
183.02878	1.7
195.02853	0.4
201.05524	1.3
215.08295	0.4
217.09735	9.4
219.02820	0.4
229.05011	5.0
230.10439	0.6
247.06125	1.2
257.04459	4.5
257.12918	0.6
267.11356	0.8
274.04752	0.6
285.03934	2.1
285.12314	0.6
286.10834	0.3
288.08218	0.7
303.05014	100.0
303.13385	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
58.91997	0.1
65.03964	0.1
65.19793	0.1
68.99791	0.6
69.00166	0.1
79.75042	0.1
83.59209	0.1
93.03403	0.3
95.04911	0.4
103.64664	0.1
109.02879	0.2
111.00807	1.2
121.02863	1.3
127.03905	0.2
137.02342	3.6
137.03381	0.2
149.02336	0.8
153.01831	4.1
153.02994	0.2
161.06006	0.2
163.03903	0.7
165.01839	3.2
166.02626	0.5
173.06018	0.2
183.02936	1.2
183.04317	0.2
183.20888	0.1
187.03888	0.2
188.52333	0.1
191.03421	0.2
195.02884	0.5
201.05435	1.2
219.02858	0.2
219.06450	0.3
229.04947	5.0
247.06035	1.6
257.04449	4.2
274.04834	1.3
275.05469	0.5
285.03940	2.3
303.04996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.80421	0.4
52.80737	0.4
61.57515	0.4
62.23053	0.4
68.99797	0.4
111.00845	1.0
121.02862	1.1
129.71567	0.5
137.02316	3.7
138.17052	0.4
149.02301	0.6
153.01823	5.1
165.01808	3.3
183.02942	0.8
201.05473	1.0
208.55978	0.4
229.04997	5.2
241.97821	0.5
247.05997	1.1
257.04330	4.7
274.04620	1.1
285.03940	2.0
303.05002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39799	2.3
57.09557	2.1
63.36861	2.7
73.37663	2.7
75.51746	2.7
83.05002	3.3
84.08159	3.7
108.81655	3.4
115.02559	2.8
115.89791	2.8
117.53588	2.9
121.06499	3.4
122.06844	5.5
135.61275	2.5
138.39557	2.6
159.05110	5.3
190.92688	3.1
201.06082	5.3
203.04097	4.4
213.06084	11.1
221.05127	18.4
285.14169	4.4
303.10315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Hesperetin
Peak:m/z	Relative Intensity
51.72127	5.3
85.71925	6.6
87.22603	6.2
128.12303	7.3
151.57385	6.4
197.99814	8.0
303.08304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22432	3.1
66.98251	3.0
69.03413	3.6
74.53339	2.9
84.08127	3.2
85.02911	8.3
119.01910	15.9
129.05273	3.4
131.01906	4.2
139.03867	4.2
145.03442	3.5
155.01820	7.3
157.03444	4.3
159.05067	5.1
161.02942	3.9
163.04326	5.9
173.02861	6.7
173.04167	7.6
177.06020	13.1
183.04953	6.3
193.03474	8.6
195.05002	5.8
201.04295	6.7
201.06064	82.3
209.02933	4.3
211.04503	17.5
213.04411	4.6
213.06104	58.1
215.07484	4.0
219.07144	28.3
221.03082	6.6
221.05109	14.1
225.02299	4.5
229.05536	7.4
231.07079	18.0
234.06094	39.3
239.03944	28.9
239.06236	4.2
243.07133	21.4
252.07140	31.4
262.05600	7.7
271.83173	3.6
272.65186	4.4
280.06406	4.1
303.10135	100.0
312.60535	4.2
321.10437	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41838	5.3
66.90243	4.9
69.96101	5.4
70.06596	6.9
81.03438	8.0
85.02872	7.6
97.02858	7.2
99.04449	10.0
100.18832	5.2
100.23250	6.4
104.59571	5.6
106.73177	6.2
121.06500	60.8
122.06858	66.0
123.04507	7.2
123.07088	7.7
124.07433	7.7
141.05363	7.0
148.73674	5.1
201.04378	7.4
201.06110	7.3
218.44998	5.8
225.11554	6.4
283.13699	7.9
285.14175	73.8
303.09735	100.0
303.15448	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	CHEBI:70630
Peak:m/z	Relative Intensity
69.03434	1.1
71.49829	0.7
83.09207	0.7
91.05466	0.8
97.02896	38.7
107.08543	0.8
111.00816	1.2
112.47171	0.7
123.61026	0.8
131.04886	1.4
137.05962	4.9
159.04321	1.0
159.08008	0.9
169.06476	0.9
173.05978	3.7
176.04626	1.1
181.04932	1.6
187.07513	1.0
191.07025	4.8
197.05952	1.1
201.05424	4.3
204.04184	3.5
219.06520	100.0
242.05568	0.9
257.08020	1.0
303.05038	6.0
303.08600	42.4
303.12100	2.4
303.23044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	CHEBI:70630
Peak:m/z	Relative Intensity
55.35622	0.7
64.09695	0.8
65.10096	0.9
69.03450	1.7
69.07076	1.4
70.23016	0.9
79.05517	0.9
81.07080	4.6
91.05493	1.4
93.07058	2.0
95.08628	1.8
97.02892	39.0
97.03475	1.6
105.07076	1.9
107.08604	2.2
109.10165	3.6
117.07050	1.1
119.08604	1.2
121.10153	3.4
123.11687	1.0
131.04985	1.8
133.10162	4.5
137.06020	7.5
145.10162	1.2
147.11729	2.2
149.09621	2.0
151.07558	0.9
159.11693	1.5
162.85609	0.9
163.14909	1.1
165.06955	1.1
169.06424	1.0
173.05995	1.7
181.04965	2.1
183.08134	2.0
187.07588	1.5
191.07080	4.7
197.06102	1.0
199.14737	1.1
201.05513	5.1
204.04192	3.3
205.08562	1.0
211.07637	4.0
211.14987	1.1
219.06523	100.0
227.17921	1.0
231.17993	0.9
242.05772	2.1
243.10309	1.4
247.09723	1.9
257.08163	1.7
257.22580	1.2
267.21146	1.9
271.09702	3.8
285.22107	8.3
303.08603	40.2
303.23145	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61275	1.4
90.85538	1.6
92.32925	1.5
101.00817	2.1
119.01895	7.7
131.01862	6.6
150.03581	2.7
155.01837	3.6
159.04977	6.3
170.85602	1.7
173.02866	8.8
177.06053	10.4
183.04965	3.0
185.02960	3.0
187.04446	2.4
188.53397	1.7
201.06078	65.2
205.05508	2.9
213.06108	38.8
215.07674	3.7
219.07111	15.6
221.04944	9.3
225.06079	2.4
227.07561	1.8
231.07109	14.4
237.06032	3.2
243.07195	16.9
249.08107	1.7
254.16356	1.7
285.08194	2.2
303.09525	100.0
321.06726	1.8
321.10245	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12049	1.3
54.03275	1.4
60.86017	1.3
64.94486	1.3
69.03426	1.6
97.02875	2.1
101.00906	1.7
119.01913	7.5
131.01886	9.8
141.03079	2.1
150.03651	3.2
151.95724	1.8
155.01884	3.7
159.05064	3.4
161.02893	2.7
173.02928	10.1
177.06075	8.8
187.04527	2.6
201.04311	3.5
201.06073	54.8
203.03999	2.0
213.06117	32.1
219.07185	13.3
221.05086	9.0
222.05766	1.9
225.06075	3.7
227.07558	2.2
231.07124	13.5
243.07112	17.5
281.05484	2.6
285.08286	2.0
303.10251	100.0
321.10309	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60155	1.3
52.91001	1.7
54.51362	1.4
56.62795	1.4
61.91061	1.6
69.11333	1.7
69.82964	1.6
79.07070	1.7
84.08121	2.2
85.40327	1.6
86.99535	1.6
91.05460	1.8
113.00894	1.6
119.01904	2.9
121.06538	3.3
122.06822	1.9
131.01826	4.0
131.04073	1.7
137.05936	3.7
138.05334	1.7
138.06285	11.0
140.07060	4.3
155.01930	3.5
159.05025	3.3
164.07072	2.7
173.02895	4.1
177.06039	7.9
183.04924	2.8
201.04385	2.1
201.06088	51.3
203.03990	2.6
211.83688	1.9
213.06082	31.8
215.07693	3.5
219.07138	18.9
220.05707	2.0
221.05013	3.9
231.07024	12.3
243.07097	16.1
285.14142	2.0
289.24057	1.8
303.09766	100.0
303.15698	2.3
303.18869	2.0
321.10263	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60155	1.3
52.91001	1.7
54.51362	1.4
56.62795	1.4
61.91061	1.6
69.11333	1.7
69.82964	1.6
79.07070	1.7
84.08121	2.2
85.40327	1.6
86.99535	1.6
91.05460	1.8
113.00894	1.6
119.01904	2.9
121.06538	3.3
122.06822	1.9
131.01826	4.0
131.04073	1.7
137.05936	3.7
138.05334	1.7
138.06285	11.0
140.07060	4.3
155.01930	3.5
159.05025	3.3
164.07072	2.7
173.02895	4.1
177.06039	7.9
183.04924	2.8
201.04385	2.1
201.06088	51.3
203.03990	2.6
211.83688	1.9
213.06082	31.8
215.07693	3.5
219.07138	18.9
220.05707	2.0
221.05013	3.9
231.07024	12.3
243.07097	16.1
285.14142	2.0
289.24057	1.8
303.09766	100.0
303.15698	2.3
303.18869	2.0
321.10263	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88533	0.3
58.06593	0.3
94.06588	0.6
110.06046	0.4
137.05943	0.6
164.07031	0.5
180.60754	0.4
184.07539	0.6
199.17194	0.4
213.10242	0.6
214.05006	0.5
216.06586	2.1
217.09744	0.9
228.06554	9.3
229.05042	0.5
229.07372	0.5
231.07639	0.7
239.08144	0.5
240.06525	0.5
242.06734	0.7
243.07597	1.7
256.06018	19.1
257.09207	100.0
267.07465	0.4
285.08728	8.1
285.11969	0.8
303.05011	17.7
303.09756	57.1
303.13303	4.8
303.16809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78324	1.5
57.22477	1.4
57.22836	1.3
61.38890	1.4
61.98464	1.2
68.79935	1.3
90.98679	1.4
106.23570	1.5
113.00949	1.7
119.01923	7.3
129.04071	1.6
131.01904	6.7
137.05951	3.2
138.06448	1.9
141.05241	2.8
144.96005	1.5
145.03474	2.0
155.01904	6.7
159.05051	7.1
164.07074	2.0
173.02969	8.8
177.06119	11.5
177.40964	1.5
183.05038	3.1
187.04442	1.9
201.06102	55.3
203.03995	2.3
213.06090	36.6
215.07710	3.2
219.07062	14.3
221.05141	3.2
225.06044	2.7
231.07162	14.1
237.06007	1.9
243.07077	14.8
285.14209	1.8
303.09979	100.0
321.10281	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48839	0.9
66.52737	0.8
75.48279	0.8
76.14067	0.8
76.64297	0.9
92.20969	1.0
112.33882	1.1
112.86420	1.1
119.01959	4.2
122.06846	2.2
124.09721	1.0
131.01962	4.4
137.06004	3.9
138.06346	2.2
140.07149	5.5
142.08704	1.1
155.01935	3.9
159.05080	1.8
160.48422	1.1
164.07112	1.4
173.03021	6.1
177.06154	6.5
183.05214	1.5
201.06064	40.1
203.03961	2.3
209.17259	1.1
213.06065	25.6
215.07745	2.0
219.07129	11.8
221.05190	5.9
225.06166	4.6
231.07140	9.9
237.06300	1.1
243.07137	11.9
262.05710	1.1
285.14401	1.7
303.10379	100.0
310.76801	0.9
321.10266	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08139	0.3
53.53754	0.4
58.85997	0.3
83.05002	1.0
84.08147	5.4
92.21465	0.5
101.00866	0.4
103.37132	0.4
119.01936	0.6
122.06854	0.6
127.12354	2.5
131.01973	0.7
133.03511	1.0
140.07095	2.7
141.04097	0.8
142.08760	0.5
143.32669	0.4
145.03456	0.9
146.78137	0.4
147.05107	0.5
155.01926	0.7
156.02655	0.4
159.05090	2.2
164.07022	0.6
170.11845	1.9
173.03004	0.8
183.05077	0.7
187.14485	2.3
201.03865	0.6
201.04141	0.7
201.06165	6.1
203.03976	3.1
207.05072	0.7
213.06084	5.9
215.07666	0.6
219.07330	0.5
221.05067	8.2
225.06192	1.0
237.06218	0.9
243.07253	0.6
285.14465	0.7
303.10532	100.0
303.19327	5.8
321.10406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55039	1.1
60.05658	6.8
66.86485	1.0
69.03430	1.0
70.06606	5.4
80.05919	0.9
84.08139	1.0
85.02934	1.3
98.06049	1.4
99.04445	4.1
112.07634	4.1
113.07943	1.9
117.07435	1.1
140.07083	1.2
141.05273	5.5
169.08067	1.2
177.88585	1.0
199.13170	1.0
201.06171	5.9
205.10115	1.9
221.05145	1.1
239.09085	1.1
280.19693	1.0
285.09546	1.2
285.12567	2.0
286.10870	4.0
303.10559	100.0
303.13770	14.6
321.10352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60831	1.2
70.06583	3.8
73.37720	1.3
76.58997	1.6
79.72026	1.6
81.03423	2.0
84.03151	1.5
85.02899	2.5
112.07579	2.5
113.07950	1.5
119.01908	1.9
141.05319	2.1
152.07018	1.7
155.84018	1.4
159.05017	2.3
173.02957	2.1
177.06023	2.9
201.06084	26.3
204.64383	1.8
213.06061	15.3
219.07124	8.0
221.05022	3.1
225.05942	2.4
235.97775	1.9
243.07117	8.4
285.09473	2.2
303.10727	100.0
303.13611	4.7
321.10242	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47386	0.5
69.59903	0.6
79.31129	0.6
87.04446	0.8
99.04461	0.8
110.07168	1.3
121.06551	0.9
122.06854	0.9
131.54732	0.6
141.05287	3.0
155.01944	1.1
159.05107	1.1
173.02972	0.9
177.06169	2.5
201.06071	12.9
203.04047	0.8
213.06055	9.6
213.07535	0.6
215.07671	0.8
219.07216	3.5
225.06189	1.1
227.07700	0.8
231.07199	2.5
243.07335	2.8
285.14343	1.2
303.10535	100.0
311.64328	0.6
321.10349	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
Peak:m/z	Relative Intensity
54.13807	0.8
59.39013	0.8
60.03220	0.7
60.44724	0.7
63.52579	0.7
64.89060	0.8
68.46764	0.8
72.45103	0.8
83.01349	8.8
91.05485	26.0
91.06010	1.6
97.06583	0.9
105.07030	19.3
111.04432	1.8
117.07027	1.1
126.63162	0.9
131.04933	4.1
133.06569	1.0
139.03946	1.2
143.08623	1.1
145.06522	6.7
153.05455	23.3
155.08516	1.0
173.05980	9.2
175.29102	0.9
181.04955	100.0
182.39023	0.9
183.08047	1.1
193.10127	3.6
194.05724	1.5
197.09653	5.2
211.07501	1.9
211.11151	1.2
224.08348	1.3
225.09100	13.0
229.08737	3.4
239.10634	5.6
240.65599	1.0
243.10173	4.5
249.09076	1.9
257.11786	4.0
267.10052	9.5
285.11215	37.5
303.12173	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.7
60.61146	0.3
67.49001	0.3
68.68258	0.3
71.86956	0.3
72.08121	0.4
85.02885	0.5
87.04471	9.9
95.04944	0.8
96.05296	0.7
99.04428	0.6
104.10770	0.4
121.02783	0.4
121.06525	1.4
137.02345	1.4
137.05986	0.6
140.07071	1.9
141.07390	0.7
144.05070	0.3
153.01840	1.5
165.01744	0.6
181.10527	0.8
183.08279	0.7
183.11403	0.4
197.08073	0.4
202.07413	0.4
205.10477	1.6
207.21948	0.4
217.09712	49.0
229.05002	1.4
229.09683	0.4
233.61900	0.4
246.24207	0.4
257.04306	1.7
257.12866	0.9
267.11264	1.5
285.03723	0.6
285.12479	4.1
303.05020	35.0
303.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
58.75346	0.7
60.50197	0.7
68.42102	0.8
70.06601	0.9
73.02913	1.0
81.03410	4.2
85.02893	1.9
97.02840	0.9
99.04459	27.5
109.02812	1.0
118.06550	11.2
121.06506	1.2
126.05509	12.4
126.95882	0.8
130.06512	1.5
132.08090	45.8
137.06039	0.9
143.07291	1.2
144.08086	37.8
146.06009	93.4
155.97108	0.9
158.08377	2.8
170.06020	6.1
171.09183	12.0
172.06000	13.8
188.07063	100.0
217.09773	5.0
239.11653	0.9
251.04466	0.8
257.12848	22.1
260.10056	0.9
303.10278	2.0
303.13382	43.8
312.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
58.75346	0.7
60.50197	0.7
68.42102	0.8
70.06601	0.9
73.02913	1.0
81.03410	4.2
85.02893	1.9
97.02840	0.9
99.04459	27.5
109.02812	1.0
118.06550	11.2
121.06506	1.2
126.05509	12.4
126.95882	0.8
130.06512	1.5
132.08090	45.8
137.06039	0.9
143.07291	1.2
144.08086	37.8
146.06009	93.4
155.97108	0.9
158.08377	2.8
170.06020	6.1
171.09183	12.0
172.06000	13.8
188.07063	100.0
217.09773	5.0
239.11653	0.9
251.04466	0.8
257.12848	22.1
260.10056	0.9
303.10278	2.0
303.13382	43.8
312.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24051	0.4
52.21488	0.5
69.77618	0.5
79.89857	0.5
84.08145	2.6
97.19370	0.6
110.06049	2.4
116.07122	0.9
134.05989	1.1
137.05951	1.2
140.07065	100.0
150.05496	1.0
152.07063	7.1
162.07831	0.6
164.07051	54.3
205.81796	0.6
241.65332	0.6
256.09598	1.2
263.74225	0.6
285.12344	2.8
286.10730	5.8
303.10464	2.0
303.13364	49.8
303.19092	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53637	0.9
55.95144	0.9
57.03437	1.1
62.26945	1.0
70.06591	11.8
70.88573	1.0
72.08150	2.5
79.43948	1.2
84.08140	5.9
86.09682	1.3
94.37859	1.2
108.40586	1.1
110.06068	2.3
110.07128	2.2
116.07106	1.6
121.06583	1.6
122.06886	1.9
130.04965	1.3
133.06128	1.5
140.07068	100.0
150.05478	2.2
152.07056	8.8
159.90388	1.2
164.07054	53.6
174.08885	1.8
227.11461	2.0
256.09686	7.7
268.09579	2.1
285.12039	2.7
285.14713	1.8
286.10730	4.5
303.10138	16.3
303.13309	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40681	0.3
52.13079	0.4
54.98149	0.4
58.06595	0.5
73.53904	0.3
74.01149	0.3
85.02884	0.7
87.04465	9.4
95.04929	0.7
96.35898	0.4
98.03284	0.4
112.07550	0.5
121.06483	0.7
137.02309	0.7
140.07086	0.7
141.07420	0.7
180.10243	0.4
181.10503	1.6
183.08371	0.8
204.10271	0.4
205.10410	1.7
217.09712	49.1
230.10466	0.5
257.12704	0.5
269.90201	0.5
285.12305	3.5
289.34302	0.4
303.05167	8.4
303.13403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.7
60.61146	0.3
67.49001	0.3
68.68258	0.3
71.86956	0.3
72.08121	0.4
85.02885	0.5
87.04471	9.9
95.04944	0.8
96.05296	0.7
99.04428	0.6
104.10770	0.4
121.02783	0.4
121.06525	1.4
137.02345	1.4
137.05986	0.6
140.07071	1.9
141.07390	0.7
144.05070	0.3
153.01840	1.5
165.01744	0.6
181.10527	0.8
183.08279	0.7
183.11403	0.4
197.08073	0.4
202.07413	0.4
205.10477	1.6
207.21948	0.4
217.09712	49.0
229.05002	1.4
229.09683	0.4
233.61900	0.4
246.24207	0.4
257.04306	1.7
257.12866	0.9
267.11264	1.5
285.03723	0.6
285.12479	4.1
303.05020	35.0
303.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
58.06596	5.7
67.55007	1.1
70.06580	3.2
72.08145	1.1
72.85896	1.3
84.08148	85.8
99.04400	2.0
100.72858	1.3
112.05132	1.4
116.07085	1.3
117.05471	8.0
127.12308	42.9
130.08604	9.3
131.01917	1.4
137.06020	1.4
140.07072	92.1
141.08490	1.5
142.08647	11.2
150.05475	1.9
152.07079	7.9
164.07068	58.2
170.11766	35.6
175.63693	1.3
187.14409	33.3
188.90514	1.4
189.35110	1.3
213.06068	2.8
244.85184	1.4
256.09506	2.2
258.13382	1.6
285.12360	2.7
286.10812	5.1
286.16528	11.3
303.10275	37.3
303.13400	49.4
303.19095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2311
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.25887	1.9
50.27049	2.1
55.05524	5.0
67.05495	11.6
69.07067	11.6
79.05503	5.5
81.07064	35.3
83.04972	3.6
89.65833	2.3
91.05481	12.7
93.07049	36.7
95.04969	2.8
95.08605	53.7
105.07068	24.2
107.08597	61.0
109.10163	50.7
111.08102	3.1
119.08574	36.1
121.06540	4.4
121.10138	48.8
123.08114	4.6
123.11694	21.6
125.09636	4.9
129.06955	3.8
131.08546	11.8
131.84854	2.5
133.10146	30.5
135.08093	8.1
135.11684	28.0
137.05989	10.8
137.09572	3.3
143.08562	4.1
145.10120	24.5
147.11703	21.7
149.09651	4.7
149.13271	12.7
151.11160	4.1
155.08569	3.6
157.10114	11.2
159.11699	32.3
161.13274	15.8
163.11186	11.6
163.14832	5.4
165.07089	2.9
165.12717	3.3
169.10101	5.0
171.11642	20.2
173.13269	16.4
175.14958	7.6
177.12781	17.2
183.08118	3.8
183.11700	9.9
185.13290	15.0
187.14842	5.0
191.14308	5.3
197.13312	10.3
199.14822	10.5
201.12672	3.9
201.16402	9.5
203.14296	4.1
205.76581	2.3
211.07509	2.5
211.14835	10.9
213.16318	4.8
215.17810	7.4
225.16396	4.8
227.17880	11.6
229.15921	5.1
241.19466	4.1
243.17363	9.6
245.18999	4.9
255.21141	13.5
257.22668	22.3
267.21097	16.0
269.90341	2.4
271.09641	3.4
273.22089	19.2
275.23697	3.1
285.12231	12.6
285.15112	2.5
285.22128	74.8
288.05063	2.3
303.04916	30.1
303.07840	6.6
303.13068	5.6
303.23181	100.0
305.67102	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
67.05495	12.6
69.07064	4.4
71.46516	2.0
75.91391	2.0
79.05498	3.1
81.07060	22.0
83.08610	3.6
91.05444	8.2
93.07059	19.8
95.04974	2.4
95.08602	24.6
95.76054	2.2
105.07033	13.1
107.08594	19.6
109.06548	2.5
109.10150	20.0
117.07003	2.4
119.08562	13.2
121.10137	20.2
123.08100	2.8
123.11697	14.9
125.09637	2.3
125.96772	2.1
131.08563	9.5
133.10129	21.9
135.08060	3.8
135.11682	13.1
137.09584	2.9
145.10127	29.2
147.11682	15.1
149.09607	53.8
149.13191	4.3
151.11168	5.0
155.08546	2.9
157.10110	2.9
159.11681	15.0
161.13216	9.0
163.11179	8.5
171.11642	4.2
173.13210	9.0
175.11206	2.8
175.14769	4.5
185.13272	3.2
187.14789	2.8
199.14864	4.4
211.14824	3.6
213.16312	2.5
225.16487	3.3
255.21114	10.1
267.21039	5.3
273.22052	9.7
285.22162	31.1
303.05087	4.4
303.19788	5.5
303.23135	100.0
303.26666	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2311
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.27291	1.5
55.05509	3.0
64.82914	2.0
67.05507	15.0
69.07063	7.9
79.05480	8.7
81.07066	37.4
83.08601	3.7
91.05466	10.0
92.21455	2.9
93.07027	26.3
95.04942	2.2
95.08599	39.3
97.06496	2.1
97.10178	2.0
105.07036	17.1
107.08587	37.0
109.06535	2.8
109.10165	41.3
111.08083	2.4
117.06969	2.8
119.08570	33.0
121.10131	44.3
123.11692	19.5
125.09595	2.5
129.07043	2.4
131.04907	3.3
131.08592	14.2
133.10120	27.9
135.11684	29.3
137.05968	40.8
137.09523	2.0
137.13249	2.3
143.08524	3.0
145.10121	18.6
145.11060	1.9
147.11688	19.6
149.13232	24.5
151.07587	2.9
151.11148	6.3
155.08551	4.6
157.10051	15.6
159.11661	24.9
161.13248	16.6
163.11194	8.9
163.14772	2.5
165.06970	3.8
165.12775	3.6
169.10124	3.7
171.11679	13.4
173.13280	17.5
175.14836	3.8
177.12698	17.1
183.08006	9.6
183.11668	4.2
185.13208	12.7
187.14828	11.1
189.12726	2.9
189.16307	2.3
191.14317	8.8
197.13174	4.4
199.14792	8.6
199.72107	2.2
201.12717	4.7
201.16380	11.8
203.14384	2.5
208.96309	1.9
211.07507	12.3
211.14816	12.3
213.16310	4.0
215.17966	4.4
225.16551	6.7
227.17964	13.7
229.15808	4.2
239.07028	1.9
239.17918	3.3
241.19565	2.8
243.10117	4.3
243.17378	8.2
243.21117	3.1
245.19038	4.6
254.87622	2.0
255.21193	13.7
257.22598	19.5
267.21057	17.2
271.09598	9.6
273.22168	16.0
285.22104	75.5
303.07370	2.1
303.12509	8.7
303.23154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
62.21584	2.2
67.05507	4.6
81.07068	15.3
83.08624	3.2
93.07042	2.3
95.08604	16.3
105.07032	4.9
107.08598	3.9
109.10146	17.7
116.34030	2.3
119.08577	2.9
121.10130	3.7
123.11707	66.3
133.10114	3.8
135.08086	2.6
145.10063	2.7
147.08076	2.9
163.11160	2.7
163.56013	2.4
189.12878	8.1
215.14275	3.9
229.15965	3.4
240.23282	3.8
241.23520	23.9
262.14346	20.2
267.20956	4.4
285.22110	73.2
303.23190	100.0
303.26831	4.7
303.30765	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Flexusine B
Peak:m/z	Relative Intensity
55.05524	2.3
56.52770	1.1
58.01942	1.1
66.03964	1.0
67.05505	2.7
67.83418	1.1
69.07047	1.7
70.71759	0.9
79.05489	2.2
81.07068	8.2
82.57517	1.2
83.08635	2.5
91.05460	1.4
93.07047	5.2
95.08615	11.7
105.07027	7.5
107.08602	10.7
109.10168	9.8
119.08558	6.1
121.10141	5.1
123.11714	4.7
131.08578	2.4
133.10135	9.6
135.08113	1.5
135.11691	7.4
145.10101	9.9
147.08041	2.3
147.11749	8.4
149.09631	2.6
149.13274	2.3
151.11252	1.3
153.09073	1.4
157.10144	1.5
159.11703	7.6
161.09557	1.5
161.13252	7.1
163.11136	15.8
165.12759	1.9
171.11656	2.3
173.13263	4.6
175.14761	2.3
177.12718	2.3
178.89825	1.1
181.27216	1.4
185.13251	2.6
187.14790	1.5
189.12683	4.4
189.16196	1.4
197.13289	1.6
199.14822	1.8
201.16370	2.8
203.14288	1.3
203.30246	1.2
219.14061	1.2
229.15895	1.6
243.25272	1.4
255.21127	1.9
257.22641	8.9
267.21140	4.2
285.22128	19.9
303.23181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
58.65959	1.3
67.05518	2.0
72.94202	1.7
75.97461	1.2
78.44530	1.6
79.05473	2.4
81.07030	5.6
91.05482	2.1
93.07053	7.2
95.08598	7.1
100.38277	1.4
105.07032	10.3
107.08586	9.9
109.10149	25.8
111.08054	1.9
119.08557	7.3
121.10150	8.5
123.11712	7.5
126.07098	1.5
131.08571	10.2
133.10103	24.5
135.11722	15.9
143.08583	2.2
144.45845	1.6
145.10135	8.1
147.11674	20.2
149.13348	1.6
151.11212	3.7
155.08551	2.7
157.10159	2.7
159.11661	6.4
161.13277	9.0
169.10115	3.3
171.11713	2.8
173.13383	5.2
183.11681	7.2
185.13246	7.8
187.14830	9.5
197.13258	8.1
199.14810	14.3
199.25755	1.5
201.12711	1.8
201.16400	3.5
205.15761	1.6
211.14926	13.3
213.16350	7.4
224.15515	2.6
225.16368	6.4
227.17834	2.4
229.15839	2.4
239.17873	2.1
241.19315	2.0
267.21072	65.3
285.22144	30.2
303.23193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
55.05516	6.7
56.30154	3.0
59.36267	3.3
67.05509	6.0
69.07071	6.8
72.13790	3.0
79.05524	6.2
80.71019	3.5
81.07045	32.1
81.84396	2.8
83.08594	4.4
87.30364	4.0
92.22504	3.4
93.07032	19.4
95.08617	22.6
99.08090	4.2
105.07030	29.9
107.08577	22.5
109.06503	3.4
109.10159	23.4
119.08572	26.3
121.10126	8.7
122.20683	3.8
122.21606	3.6
123.11739	6.8
125.09653	5.0
131.08549	21.8
133.10118	27.4
135.08034	5.6
135.11679	7.4
143.08577	7.4
145.10136	19.0
147.11684	29.2
149.09605	4.4
149.13295	4.1
154.81396	3.4
157.10155	14.7
159.11664	14.8
161.13202	14.8
171.11661	12.3
173.13268	5.1
175.14801	4.1
185.13243	8.6
187.14851	6.0
189.99553	3.6
197.13240	7.0
199.14755	5.1
201.16463	4.6
211.14841	12.2
229.15894	5.1
267.21094	29.8
285.22116	42.5
303.20050	6.3
303.23215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
51.86090	3.2
52.69064	3.3
53.78042	3.7
54.86617	3.7
55.05518	15.7
57.07079	4.7
62.09538	3.1
66.61040	3.6
67.05504	18.7
69.03421	6.7
69.07062	16.1
79.05482	8.5
81.07056	85.8
83.04977	5.0
83.08621	7.4
85.06516	6.0
88.35325	3.5
91.05480	17.2
93.07053	38.1
95.04995	4.1
95.08598	70.7
97.06514	8.4
99.08089	4.3
105.07037	51.8
107.08595	72.7
108.89232	3.7
109.06522	7.3
109.10186	44.5
111.08061	8.7
111.94817	4.2
117.06995	17.9
117.29360	4.3
119.08575	47.4
121.10175	28.9
123.08092	6.9
123.11713	24.5
123.25896	4.4
125.09629	18.0
129.06972	7.2
131.08575	64.9
133.10132	45.5
135.08051	5.1
135.11742	19.1
137.09625	7.9
143.08569	23.0
145.10138	68.3
147.11700	29.1
149.09608	6.7
149.13251	8.3
155.08583	7.6
157.10120	24.5
159.11653	44.2
161.13242	30.8
163.11241	5.3
169.10130	26.2
171.11687	35.7
173.13254	35.0
174.09128	20.1
175.14816	25.5
177.12758	4.5
182.10992	5.3
183.11687	24.3
185.13290	26.6
187.14850	29.2
189.12674	4.7
189.16281	5.4
197.13216	22.1
199.14795	26.2
201.16359	34.2
209.13324	5.8
211.14784	50.2
213.16345	6.4
225.16278	29.3
227.17934	23.5
229.15968	14.6
239.17892	4.6
240.17296	7.8
255.20943	6.9
257.22507	8.2
267.21066	70.2
285.18787	7.8
285.22083	85.6
286.18054	7.1
303.04935	9.6
303.16125	6.1
303.20264	27.6
303.23199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
55.05515	9.5
57.17544	2.0
67.05511	20.1
69.03434	4.4
69.07063	19.7
71.05007	4.7
79.05487	10.7
81.07059	55.1
83.04976	5.4
83.08613	4.4
85.06554	2.8
91.05479	15.1
92.36269	2.5
93.07037	31.5
95.04958	3.8
95.08609	42.0
96.45125	2.2
105.07019	31.0
106.55254	2.3
107.08598	38.4
109.06506	11.4
109.10155	30.3
111.04448	20.9
111.11749	2.7
115.72467	2.7
117.07013	4.9
119.08581	34.4
121.06477	4.1
121.10136	25.3
123.08034	3.7
123.11703	15.6
131.08594	12.0
133.10141	29.5
135.08058	4.4
135.11700	16.5
137.09602	5.3
137.13213	5.3
143.08511	4.4
145.10143	17.2
147.11670	20.1
149.09566	5.4
149.13260	14.8
151.11159	12.7
157.10162	4.3
158.59749	2.4
159.11732	12.0
161.13225	11.8
163.11176	3.5
163.14848	4.7
173.13252	12.0
175.14815	9.4
177.12837	2.8
187.14822	3.9
189.16318	3.4
199.14822	4.0
201.16412	3.4
211.14925	2.5
215.18068	3.2
243.21078	14.6
257.22614	3.5
267.20978	3.5
281.19342	2.9
285.22168	20.2
303.23151	100.0
303.30679	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
55.05526	8.2
57.03416	0.9
58.20601	0.9
62.33941	1.2
62.81490	0.9
67.01567	1.0
67.05502	4.7
69.03428	2.4
69.07066	7.0
71.04991	2.0
79.05505	5.0
81.07062	23.8
81.07501	1.8
83.04982	32.4
83.08624	1.6
91.05489	4.9
93.07044	13.8
95.04971	2.1
95.08605	14.3
97.06558	1.9
97.10160	1.2
99.04412	1.4
99.08086	1.5
105.07030	13.2
107.08603	17.1
109.06523	5.8
109.10150	14.6
111.08045	1.8
119.08562	16.2
121.10114	10.7
123.08028	1.6
123.11673	4.5
131.08525	5.1
133.10144	10.3
133.30624	1.3
135.08069	1.9
135.11719	8.9
137.05983	1.7
137.09634	6.5
138.09148	4.4
143.08553	2.0
145.10121	11.3
147.11688	13.2
149.09616	100.0
149.13266	6.1
151.07495	1.4
151.11143	4.4
157.10132	2.4
159.11670	7.7
161.09660	1.1
161.13252	2.5
163.11159	1.8
165.12749	1.9
166.05014	1.1
169.10132	1.3
171.11661	4.2
173.13260	2.6
175.14809	6.3
185.13177	1.6
187.14891	1.2
193.15895	12.6
197.13293	1.9
199.14861	1.7
201.16350	1.3
203.14270	1.9
211.14815	2.0
217.15921	1.7
221.15414	4.7
224.47546	1.2
259.36255	1.2
267.21024	2.3
285.19144	1.3
285.22128	11.0
303.13162	2.0
303.16245	1.6
303.19983	2.6
303.23199	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
55.05515	9.3
57.07073	4.9
58.88340	4.3
67.05507	17.6
69.03437	7.4
69.07059	21.0
71.04991	9.0
75.67110	4.2
79.05489	27.5
79.66833	4.5
81.07061	67.1
83.04968	26.5
83.08625	8.1
88.99859	3.9
91.05482	18.9
93.07046	51.6
95.04977	17.9
95.08617	53.3
105.07025	45.5
107.08565	37.5
109.06498	21.6
109.10142	41.9
111.08136	6.1
117.06992	6.4
119.08575	43.8
120.80630	4.4
121.10149	29.4
123.08080	6.5
123.11703	10.0
125.09564	8.1
131.08545	9.8
133.10115	42.2
135.08041	18.6
135.11708	27.7
137.09633	7.3
145.10127	24.8
147.11719	42.7
149.09612	31.1
149.13261	5.7
150.09503	4.6
151.11165	18.4
157.10120	7.3
159.11708	19.7
161.09596	7.6
163.11130	5.1
163.14836	5.7
165.12759	7.4
171.11650	5.4
173.13225	23.4
175.14790	21.5
185.13216	9.7
199.14818	7.9
201.16483	6.3
203.14360	4.6
211.14868	4.6
255.28645	5.6
267.21011	9.0
272.95392	4.9
285.22217	44.9
303.19904	9.7
303.23132	100.0
303.30783	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
57.07056	0.6
66.38697	0.6
81.07086	0.7
85.06544	1.1
88.07611	1.3
88.92146	0.6
92.21608	1.2
102.05541	0.7
104.13962	0.8
114.17899	0.6
122.08128	0.9
236.96986	0.6
247.35602	0.6
256.22668	5.7
276.06540	100.0
304.06046	67.9
304.09470	5.6
304.24792	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74030	2.1
60.42675	2.1
60.70743	2.1
67.93678	2.5
86.12787	2.5
92.11069	2.5
108.07922	2.6
178.63316	2.8
263.06241	4.7
286.06595	3.4
304.07861	100.0
304.13666	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37061	1.9
57.29698	1.9
62.64058	2.2
72.28490	2.4
73.23127	2.4
73.54681	2.1
74.06054	2.6
74.06451	2.5
98.06063	3.3
99.04438	6.2
115.49753	2.6
126.05519	3.0
128.07021	2.5
136.38864	2.7
142.08585	2.7
143.01884	19.1
152.06996	4.0
161.02942	58.6
170.08083	3.0
173.02937	12.3
191.04056	10.5
203.03966	10.1
206.10313	3.3
219.79137	2.5
262.26572	2.8
263.06094	28.3
304.07846	100.0
304.13409	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0871
Annotation	Chlorambucil
Peak:m/z	Relative Intensity
54.33887	5.6
61.70325	5.9
64.74029	6.8
111.89305	7.6
119.82877	7.2
122.15846	8.0
304.08667	100.0
304.11676	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33887	5.6
61.70325	5.9
64.74029	6.8
111.89305	7.6
119.82877	7.2
122.15846	8.0
304.08667	100.0
304.11676	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57143	0.7
53.15040	0.6
56.70924	0.7
81.25908	0.8
87.10320	0.6
87.15505	0.7
104.31745	0.8
151.35422	0.7
174.15390	0.8
174.53371	0.8
289.07382	3.3
304.09674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1093
Annotation	3-Hydroxyrutaecarpine
Peak:m/z	Relative Intensity
78.77597	0.5
85.10193	2.7
113.09624	1.1
122.06958	0.7
124.34637	0.6
179.35919	0.8
183.17523	0.6
193.80507	0.6
205.10164	0.7
215.08525	1.0
218.07129	0.8
233.09575	7.8
243.08121	2.7
244.08664	0.6
245.09659	1.3
246.06714	3.3
256.22549	1.1
258.06793	1.2
259.07480	2.7
260.08261	2.7
261.09103	23.2
271.07507	1.0
273.09100	17.5
274.06216	3.2
275.10468	0.7
276.06525	14.4
276.11417	3.4
286.09894	2.9
288.07809	0.9
289.08572	73.6
303.10153	23.9
304.06158	9.0
304.10916	100.0
304.24896	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.109
Annotation	3-Hydroxyrutaecarpine
Peak:m/z	Relative Intensity
65.93740	0.3
79.81547	0.4
86.50827	0.4
115.65658	0.4
166.63631	0.4
190.07748	0.5
202.07774	0.6
205.10179	0.7
215.08580	1.8
218.07274	0.7
232.08806	0.6
232.53543	0.5
233.09621	5.5
234.18964	0.5
239.71263	0.4
243.07996	1.6
244.08536	0.6
245.09624	1.5
246.06700	2.3
257.05972	0.7
258.06735	0.9
259.07507	2.0
260.08267	2.2
261.09100	20.0
271.07553	0.9
273.09100	19.4
274.06183	2.8
275.10599	0.9
276.06570	7.0
276.11234	3.6
286.09921	1.5
287.10806	0.5
288.07809	2.1
289.08572	75.8
303.10162	26.7
304.06195	3.1
304.10910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1177
Annotation	4'-Desmethylpiplartine
Peak:m/z	Relative Intensity
54.38309	0.7
55.06479	0.7
58.06581	1.7
69.03424	0.8
69.96072	0.7
70.06576	1.6
73.36830	0.7
81.03434	1.7
84.08166	0.8
86.09693	3.8
88.03981	0.8
97.02860	1.3
99.04432	1.3
104.50373	0.8
111.04413	1.1
119.04894	1.0
123.04416	2.0
137.05971	16.7
142.08632	1.5
151.03870	4.9
162.35524	0.9
174.06914	0.9
188.07068	10.2
199.06262	0.9
203.09558	1.3
216.06558	23.5
217.07350	17.1
223.24626	0.9
232.09666	35.4
258.13290	4.7
258.58224	0.8
260.09140	13.4
262.14081	0.8
286.12683	3.6
287.09161	1.8
287.44452	0.9
288.08646	9.7
289.09406	18.3
304.11725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
77.72168	0.6
84.59158	0.5
86.09709	0.7
87.04484	0.7
91.05453	0.6
95.12661	0.5
107.04961	1.1
114.85162	0.5
118.90845	0.6
123.04477	0.7
130.06580	0.5
133.02841	0.8
137.05974	6.2
151.03938	1.0
152.88480	0.5
190.54030	0.5
240.01837	1.0
242.07982	0.6
243.08885	2.2
244.15421	0.7
258.02908	0.9
258.09323	3.8
258.11279	6.6
260.09152	14.8
272.09149	2.4
274.06979	3.6
287.09286	1.1
288.08670	19.4
289.09430	33.6
289.12677	1.2
304.11801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59885	0.4
52.36435	0.4
61.10601	0.4
67.03202	0.5
69.03455	0.5
69.07061	1.2
73.02908	0.9
81.03411	0.5
85.02896	2.4
86.09717	0.7
97.02900	3.2
109.37538	0.5
114.09178	0.9
121.06482	0.8
127.03898	0.5
137.05994	1.1
142.08653	5.7
143.11926	0.5
162.05510	0.6
170.06041	0.5
174.05484	0.6
184.09673	3.0
188.07071	9.1
200.07135	0.7
202.04852	0.6
214.08618	2.7
216.06558	23.9
217.07336	18.9
228.06526	0.5
232.09689	35.0
244.09715	0.5
246.07700	0.7
258.13300	0.6
260.09192	12.8
262.14377	7.6
266.92123	0.6
272.09070	0.7
274.07068	0.8
286.07092	1.7
288.08740	10.4
289.09448	16.0
304.11813	100.0
304.15353	11.5
304.19101	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16238	0.4
54.19603	0.4
54.65300	0.4
65.03939	0.5
70.06587	0.7
91.05481	6.8
95.04969	1.1
119.04938	6.4
121.27845	0.4
123.04417	35.1
131.33090	0.6
133.02846	9.3
137.05977	100.0
151.03905	9.2
152.43602	0.4
174.05476	1.0
218.08052	0.7
241.38863	0.6
260.09189	4.4
287.09097	30.5
288.08670	6.3
289.09430	8.3
304.11783	39.5
304.14960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42037	2.0
55.05521	4.4
56.05033	3.2
58.06601	4.2
69.03433	3.2
69.18131	2.5
70.27417	2.3
70.65036	3.0
71.01366	4.5
71.04978	4.5
74.06055	4.0
77.59541	2.4
80.40423	2.5
81.03429	21.8
82.06576	11.4
84.04480	3.2
84.08144	6.6
86.06061	4.7
86.09708	45.7
87.03229	13.6
87.04465	4.1
88.04002	5.1
91.05453	4.2
96.04453	3.0
96.08118	3.9
97.02908	4.9
98.09679	13.4
99.04470	22.1
102.05564	3.5
104.07085	5.0
108.04486	3.3
111.04446	26.0
113.06004	4.8
117.05478	6.6
121.06467	4.6
122.06037	4.9
124.07595	10.7
126.05493	16.1
128.07080	88.5
128.10709	16.3
140.07092	5.4
142.08606	35.7
152.03426	4.0
152.07080	16.9
164.10754	14.8
170.08107	14.0
171.05283	3.0
184.09851	3.6
187.14474	2.9
188.09181	44.5
210.11235	13.0
240.12311	17.6
258.13391	56.1
276.14423	11.4
286.12793	54.7
304.13882	100.0
304.17490	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53773	1.3
52.21329	1.3
53.03952	2.7
55.01901	1.4
55.09916	1.4
56.05034	2.1
58.06597	1.7
62.06091	3.4
69.03428	1.8
70.06599	1.6
71.04988	2.7
72.04520	7.8
72.08150	7.4
74.06081	16.4
75.70908	1.4
75.78672	1.5
78.25946	1.6
81.03413	15.6
82.06602	2.1
84.04506	3.0
85.02908	10.7
86.06065	27.0
87.04446	2.6
97.02873	17.5
98.06068	14.4
99.04458	62.9
100.04001	1.7
100.07603	8.5
103.03917	2.6
104.07090	2.6
108.04474	2.2
109.02868	3.4
114.09193	1.9
116.07114	6.6
122.06027	12.7
122.06825	2.8
124.07578	12.0
125.04731	7.6
126.05512	8.9
128.07065	35.8
140.07072	8.5
142.08652	6.7
152.07063	100.0
158.08128	10.6
170.08113	55.3
188.09155	22.3
206.10243	7.5
268.11816	3.5
286.12717	30.2
304.13898	84.1
304.17557	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.4
60.04528	5.5
61.02923	2.1
69.03444	9.9
69.07079	26.2
70.52900	1.0
71.08635	17.8
73.02927	1.1
81.03414	6.0
84.04488	1.6
85.02911	59.6
85.28506	1.1
86.02445	4.3
93.16515	1.1
94.86883	1.4
96.08131	1.2
97.02899	37.3
97.06527	4.8
99.04469	4.8
103.03935	6.5
109.02872	12.0
113.08389	1.2
114.09174	19.6
126.09116	1.2
127.03909	13.6
137.06017	1.8
138.09157	4.9
142.08643	100.0
145.04967	7.6
153.86478	1.1
156.10204	5.4
166.58913	1.1
184.09697	71.1
208.09706	15.8
250.10796	7.8
262.23520	1.5
286.12634	1.3
304.14096	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1538
Annotation	Carinatine
Peak:m/z	Relative Intensity
52.02717	0.4
85.49821	0.4
86.06029	0.5
87.04443	0.5
91.05479	3.9
107.04964	0.6
108.68353	0.4
119.04926	1.9
119.59193	0.5
121.06466	0.6
123.04405	1.8
123.08073	0.4
124.14938	0.4
137.05981	22.5
140.07077	7.2
141.86298	0.5
149.05965	0.5
159.08043	0.7
168.10144	3.6
170.53618	0.5
177.09091	1.0
179.10628	2.1
213.81236	0.5
218.70811	0.4
244.09537	0.9
244.13293	2.7
244.15559	1.9
260.16541	0.8
262.14362	37.5
275.11414	0.8
304.05383	16.3
304.15387	100.0
308.63913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.07080	7.9
59.50168	0.3
60.78861	0.3
67.05512	4.3
68.02036	0.4
69.07059	1.7
71.04990	17.8
71.08630	8.6
72.32857	0.4
76.12449	0.3
81.07063	8.5
83.08636	3.8
85.06548	0.7
90.54649	0.3
92.17042	0.4
95.08603	9.0
97.10159	1.5
109.10159	7.7
112.01323	0.4
122.08122	0.8
123.11676	3.6
141.12720	4.6
183.17435	100.0
203.10445	0.3
214.16940	0.4
230.15425	0.5
276.06577	1.8
304.05975	1.6
304.09381	1.1
304.19104	1.1
304.24817	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2606
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
50.21289	1.4
50.63689	1.6
55.05500	1.6
57.07072	1.6
57.60712	1.6
61.26159	1.7
64.35275	1.9
67.05500	2.9
68.24033	1.7
69.07064	4.1
81.07064	9.2
83.73801	1.8
89.35368	2.0
93.07035	4.5
95.08619	4.2
107.08595	3.3
119.08591	3.2
121.10114	2.2
169.30817	2.1
190.26355	2.1
245.27997	2.1
276.06555	10.6
304.06015	8.2
304.26199	100.0
304.29761	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69703	0.3
53.29887	0.3
54.50719	0.3
55.53796	0.3
57.07087	0.8
60.41483	0.3
67.31399	0.3
69.38968	0.3
70.06579	1.8
73.88001	0.4
81.02265	0.4
86.09223	0.7
86.09708	11.0
87.04469	6.2
87.76986	0.4
88.07640	4.3
93.07040	0.4
102.09171	2.3
103.10994	0.4
104.99223	0.5
117.97240	0.4
121.02960	0.3
161.09471	0.4
172.36765	0.4
198.22089	0.4
201.69341	0.3
203.14320	4.1
206.16068	0.4
217.07526	0.6
219.17432	100.0
242.24774	13.9
276.06540	0.6
286.27365	0.7
304.05652	0.5
304.25888	7.6
304.28473	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03194	0.3
57.07072	0.3
63.69270	0.2
70.06595	0.5
86.09703	11.6
87.04456	3.8
88.07632	1.5
102.09178	1.1
104.99268	0.3
110.20599	0.3
119.08573	0.3
132.66946	0.3
147.07999	0.3
158.66829	0.3
180.56609	0.3
203.14285	4.2
219.17426	100.0
224.97078	0.3
239.23076	0.3
242.24802	5.5
286.18033	0.4
289.11859	0.3
300.66095	0.3
304.19147	0.3
304.25931	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21550	0.3
76.66058	0.3
85.66182	0.3
86.09251	0.5
86.09708	10.3
104.99270	0.4
105.30730	0.3
137.84001	0.3
203.14282	2.9
219.17422	100.0
244.00816	0.3
276.06531	1.8
304.06216	1.0
304.09415	0.4
304.19275	0.3
304.26340	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50642	0.5
55.01884	0.8
55.05518	4.2
57.07090	0.6
63.92354	0.6
67.05512	14.9
68.85281	0.6
69.07069	6.2
69.07375	0.7
72.71064	0.5
79.05490	4.4
81.07066	17.1
82.07397	1.1
83.08611	2.8
85.05276	2.9
91.05482	3.2
93.07051	6.5
95.08608	11.6
97.06528	0.7
98.06065	12.5
105.07029	1.5
107.08598	3.9
109.10188	5.3
112.07589	1.1
119.08566	3.3
120.08937	0.7
121.10118	3.9
121.10907	0.7
123.11711	1.3
124.07626	1.1
131.08548	0.7
133.10100	0.9
135.11633	1.1
138.09161	0.8
140.10677	1.1
147.11670	1.5
148.12088	0.7
149.13235	1.0
154.12309	1.0
159.11702	1.0
182.15456	0.7
208.16972	1.4
217.07600	1.0
222.18550	1.3
222.88504	0.8
263.23502	0.8
286.22336	0.8
304.09402	0.8
304.23450	4.3
304.26346	100.0
305.96146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02055	2.0
54.47741	2.0
56.05035	2.6
57.07085	5.3
58.06596	2.3
61.93843	1.7
64.64867	1.9
67.05498	14.2
69.07070	3.5
72.04518	50.6
74.06090	2.0
79.05488	18.4
81.07070	20.8
88.07641	9.1
91.05475	4.2
93.07032	30.4
95.08586	18.4
97.06523	3.1
105.07051	10.5
107.08602	22.1
109.10209	2.9
114.09170	20.2
118.08637	3.3
119.08598	13.7
120.22401	2.4
121.10155	20.8
128.10727	12.0
133.10129	12.7
135.11700	16.2
135.80589	2.1
142.12286	2.5
143.57320	2.6
147.11690	8.5
149.13280	13.3
156.13824	3.8
159.11690	2.6
161.13214	4.2
163.14824	5.1
168.13785	4.3
175.14801	12.3
179.25520	2.0
193.47971	2.2
199.06447	2.4
212.60307	2.4
217.07413	4.3
217.19505	13.6
220.56351	2.0
224.20070	2.5
231.21120	2.7
256.26413	24.7
259.20645	11.5
263.23703	16.3
276.06662	2.3
304.09732	32.5
304.23215	4.5
304.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
55.05512	4.4
57.07063	1.1
67.05514	16.3
69.07070	7.3
70.26456	0.8
79.05507	5.5
81.07065	15.2
83.08607	1.3
85.05271	1.2
91.05455	0.8
93.07068	6.4
94.29411	0.8
95.04917	0.8
95.08622	11.5
95.85586	1.0
98.06067	14.6
104.99307	1.1
107.08594	4.1
109.10165	5.1
110.09658	1.0
112.07579	1.0
119.08589	3.2
121.10159	2.0
123.08086	1.6
130.19142	0.8
133.10097	1.3
135.11697	0.9
162.12958	0.8
168.82408	0.9
194.15553	1.0
196.17026	1.3
208.16885	0.9
222.18495	1.3
225.58353	0.9
263.23630	2.0
276.06601	4.9
304.06094	3.4
304.09482	1.2
304.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.4
57.07063	1.1
67.05514	16.3
69.07070	7.3
70.26456	0.8
79.05507	5.5
81.07065	15.2
83.08607	1.3
85.05271	1.2
91.05455	0.8
93.07068	6.4
94.29411	0.8
95.04917	0.8
95.08622	11.5
95.85586	1.0
98.06067	14.6
104.99307	1.1
107.08594	4.1
109.10165	5.1
110.09658	1.0
112.07579	1.0
119.08589	3.2
121.10159	2.0
123.08086	1.6
130.19142	0.8
133.10097	1.3
135.11697	0.9
162.12958	0.8
168.82408	0.9
194.15553	1.0
196.17026	1.3
208.16885	0.9
222.18495	1.3
225.58353	0.9
263.23630	2.0
276.06601	4.9
304.06094	3.4
304.09482	1.2
304.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
54.02055	2.0
54.47741	2.0
56.05035	2.6
57.07085	5.3
58.06596	2.3
61.93843	1.7
64.64867	1.9
67.05498	14.2
69.07070	3.5
72.04518	50.6
74.06090	2.0
79.05488	18.4
81.07070	20.8
88.07641	9.1
91.05475	4.2
93.07032	30.4
95.08586	18.4
97.06523	3.1
105.07051	10.5
107.08602	22.1
109.10209	2.9
114.09170	20.2
118.08637	3.3
119.08598	13.7
120.22401	2.4
121.10155	20.8
128.10727	12.0
133.10129	12.7
135.11700	16.2
135.80589	2.1
142.12286	2.5
143.57320	2.6
147.11690	8.5
149.13280	13.3
156.13824	3.8
159.11690	2.6
161.13214	4.2
163.14824	5.1
168.13785	4.3
175.14801	12.3
179.25520	2.0
193.47971	2.2
199.06447	2.4
212.60307	2.4
217.07413	4.3
217.19505	13.6
220.56351	2.0
224.20070	2.5
231.21120	2.7
256.26413	24.7
259.20645	11.5
263.23703	16.3
276.06662	2.3
304.09732	32.5
304.23215	4.5
304.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93518	1.1
56.05044	10.9
57.07082	9.2
58.06606	4.8
60.04531	39.3
67.05515	5.5
69.07067	2.1
71.08629	3.0
74.06074	10.9
79.05474	1.6
81.07052	5.3
82.38181	1.0
85.10162	1.8
86.06045	1.8
88.07628	12.8
91.05495	1.6
95.08597	5.9
97.06519	2.2
97.10172	1.2
109.10155	1.3
118.08652	4.8
121.10136	1.6
122.08148	5.6
137.09505	1.3
166.96863	1.4
206.19217	1.2
240.12691	6.0
245.22614	1.8
256.26324	43.0
258.13733	4.9
263.23706	17.8
268.26520	2.0
276.06479	14.4
286.27283	7.6
304.06128	7.1
304.28482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00758	1.0
54.47781	0.9
55.05533	1.1
56.04802	1.0
56.05040	9.3
57.07086	8.3
57.07308	1.0
58.06602	6.3
59.35364	1.2
60.04532	23.7
60.23024	1.0
67.05505	1.5
69.07082	1.6
70.33475	1.2
71.08632	2.6
74.06078	7.6
80.29968	1.0
81.07054	1.9
81.19355	1.1
85.10166	1.6
86.06102	1.4
86.10270	1.0
88.07639	11.8
95.08641	1.5
104.99265	1.4
107.08604	1.6
118.08659	7.9
122.08154	8.2
199.06451	4.6
217.07547	8.5
219.92474	1.2
256.26337	44.4
263.23801	1.8
268.26447	1.9
274.93423	1.2
276.06598	7.9
286.27423	2.8
304.05997	5.0
304.23318	2.6
304.28488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05036	10.1
57.07076	9.2
58.06590	5.7
60.04529	42.1
61.98415	0.7
62.80882	0.7
67.05498	1.4
69.07059	1.9
71.08623	4.6
74.06081	7.9
79.05489	1.5
81.07060	4.4
83.08604	3.9
85.10186	2.0
86.06072	1.5
88.07621	12.8
91.05503	0.9
95.08601	3.6
97.06544	1.4
97.10168	1.3
106.13501	1.0
107.08568	1.0
109.10132	1.2
118.08660	5.0
118.64085	0.8
119.08585	1.3
122.08125	6.5
123.08085	0.9
123.11655	0.9
133.10097	1.6
147.11752	0.9
180.99454	1.0
217.07524	1.9
240.12646	7.2
245.22597	3.2
256.26318	45.3
258.13675	6.0
263.23663	13.3
268.26257	7.3
276.06638	1.0
286.27365	7.7
304.09897	1.1
304.28445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07591	3.2
60.08160	4.1
62.31728	3.0
69.03429	3.4
70.06589	7.0
81.04527	3.6
84.08142	20.4
85.01395	5.2
87.91813	4.0
103.02448	43.6
110.62625	3.7
114.05523	21.8
117.03973	41.2
119.01893	5.5
119.47532	4.0
121.03505	29.9
129.00383	4.1
129.03996	4.7
131.01881	27.0
135.05035	41.2
142.08641	6.6
143.01932	4.7
143.08141	5.7
145.03514	23.0
147.01375	39.6
147.05000	6.2
155.01892	15.6
157.03467	38.3
159.05035	7.8
161.02979	49.2
163.04498	18.0
165.02437	17.4
169.03456	5.6
173.02948	77.7
175.04485	8.5
183.01418	8.1
185.03056	7.0
186.07600	18.7
187.04491	5.9
189.02444	87.4
191.04042	4.6
191.08253	4.6
196.31615	3.7
199.00958	5.5
201.02464	53.5
207.03503	100.0
215.04045	23.6
217.05345	4.7
227.00287	4.7
229.05466	4.4
233.05070	21.1
239.10268	4.7
243.03529	93.3
245.05045	4.9
259.02972	4.6
275.06320	4.5
287.02509	58.7
287.12503	17.9
305.03506	57.0
305.07098	9.0
305.13168	36.6
305.17093	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05994	1.1
53.01838	1.3
53.21642	1.3
53.90120	1.1
57.40855	1.3
59.80923	1.2
64.93749	1.6
65.03960	2.1
67.05482	1.5
69.03371	1.4
69.84357	1.5
71.87802	1.6
79.22099	1.5
81.07052	1.7
93.03412	8.0
95.04974	2.0
97.02866	7.9
99.04468	1.6
121.02858	3.3
121.06467	2.0
124.05203	6.1
125.72268	1.5
129.06944	2.1
137.05989	2.0
138.06770	11.7
139.07524	2.9
151.07469	1.7
153.06955	1.7
161.05920	3.0
165.05447	3.5
169.06499	2.1
172.08859	8.7
175.07458	1.7
182.07277	3.2
184.08806	2.6
188.08282	8.6
199.07591	2.4
200.08284	3.5
201.09160	2.1
202.07967	1.6
202.09889	8.6
203.10657	36.7
207.06577	3.2
212.29379	1.6
213.09071	29.9
214.06201	1.5
216.07895	1.8
229.08540	2.8
231.08223	2.7
231.10204	20.4
233.09714	2.2
241.08624	18.0
244.08983	2.5
245.09596	9.8
246.10387	15.7
247.07503	9.3
258.06683	2.3
259.07407	3.7
259.09668	38.6
261.09097	10.7
262.09772	12.0
272.08380	2.0
273.09131	15.7
274.09808	23.5
275.06961	7.3
277.06839	19.3
277.12173	8.6
289.08493	3.5
290.09305	24.8
293.88513	1.8
305.06421	7.2
305.11453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1176
Annotation	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
51.93795	0.5
64.33317	0.5
71.75298	0.4
131.22423	0.5
151.22926	0.6
163.95189	0.5
168.50587	0.5
225.90472	0.5
231.08153	0.9
234.06789	0.7
245.06024	0.9
245.09605	2.9
246.10342	1.1
247.07455	0.8
258.06635	0.8
259.07513	1.6
261.09067	3.2
262.06461	1.0
262.09671	6.2
273.09039	6.9
274.09802	5.4
275.06897	1.1
276.06616	0.6
276.11191	0.5
277.06567	2.6
277.08850	2.8
277.12238	2.8
287.06787	0.7
287.16263	0.7
289.08432	1.2
290.09277	37.1
304.10596	3.9
305.07748	10.4
305.11639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1176
Annotation	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
54.39576	0.3
55.83612	0.2
73.38320	0.2
81.07079	0.3
105.07034	0.3
119.08619	0.4
129.06967	0.3
169.72781	0.3
178.07831	0.3
188.16013	0.3
219.08150	0.4
230.07448	0.3
231.08009	1.2
234.06769	1.2
234.10042	0.3
245.05994	0.5
245.09616	3.4
246.10295	1.4
247.07484	1.6
249.09103	0.4
258.06696	1.8
259.07562	2.3
261.08948	1.9
262.06616	0.6
262.09680	5.5
272.08350	0.3
273.09070	8.9
274.09686	4.5
275.06897	1.9
275.10657	0.3
276.11356	0.4
277.08636	2.0
277.12155	2.0
287.16422	0.4
289.08414	1.9
290.06110	1.2
290.09277	35.6
304.10504	3.2
305.08240	6.0
305.11652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74279	0.4
65.10490	0.3
68.77626	0.3
72.94234	0.4
78.31593	0.3
79.41664	0.4
96.89072	0.4
140.00301	0.4
158.63921	0.4
161.05937	0.6
169.58652	0.4
175.15184	0.4
202.07649	0.4
203.08401	0.6
206.07207	0.6
217.67216	0.5
231.08025	0.7
233.09714	0.5
234.06697	0.7
234.10266	0.5
245.09563	2.0
246.10229	1.9
247.07422	0.9
249.09190	0.8
258.06815	0.6
259.07431	2.9
261.09006	2.6
262.06256	1.5
262.09683	6.2
272.08182	0.8
273.09091	6.0
274.09714	4.1
275.06967	1.6
276.11249	0.5
277.08530	2.4
277.11862	1.3
289.08466	1.0
290.09265	34.1
291.91373	0.4
293.83304	0.4
304.10541	3.1
305.07889	9.2
305.11624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07391	0.3
61.36091	0.4
72.62888	0.3
72.76726	0.3
81.07053	0.4
83.29928	0.3
107.61610	0.3
115.97576	0.3
129.07005	0.4
169.26015	0.4
202.07800	0.7
209.32181	0.4
215.08530	0.4
234.06723	0.5
234.10147	0.6
244.08582	0.7
245.09633	2.8
246.10327	1.8
247.07402	0.9
258.06754	1.9
259.07599	1.6
261.09012	2.1
262.06595	0.7
262.09720	5.8
272.08310	0.5
273.09131	8.0
274.09756	4.7
275.07098	2.5
277.08560	1.9
277.12183	1.7
282.51123	0.4
289.08490	2.0
290.09262	33.8
304.10638	2.6
305.08194	6.8
305.11649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00362	0.5
56.95550	0.5
59.93358	0.6
68.07501	0.6
69.03442	1.0
70.06593	1.0
84.06894	0.7
84.08159	9.3
85.02910	3.4
97.02936	1.2
125.10725	0.7
143.03401	34.8
143.08185	0.9
143.11818	1.4
161.06609	1.1
185.06683	1.2
197.06703	0.9
202.09738	0.9
203.04059	1.4
203.07759	3.0
215.05803	0.7
215.07811	2.9
221.05074	7.0
229.48634	0.8
239.07698	0.9
267.23608	0.7
287.09866	3.4
288.09647	0.8
305.12103	100.0
305.16953	5.4
316.80817	0.7
320.89417	0.9
323.86560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1594
Annotation	Creoside I
Peak:m/z	Relative Intensity
54.34365	1.3
55.01863	1.3
55.05517	3.0
57.07087	2.0
61.02934	3.2
61.19165	1.3
67.05508	1.7
69.03426	10.2
70.06552	1.3
71.04639	2.2
71.04997	35.3
73.06559	2.8
79.05495	1.8
81.03403	3.7
81.07030	2.5
83.04981	10.3
83.08618	3.4
85.02907	31.1
85.06546	17.3
91.03961	2.2
91.05499	1.6
95.04978	19.7
97.02894	9.3
97.10165	14.4
99.04462	2.7
103.03940	3.5
107.08600	54.1
109.02884	2.9
121.06520	1.6
123.08054	1.6
125.09631	100.0
127.03885	8.5
131.04897	2.7
137.02339	18.7
137.05943	3.6
137.09596	3.7
139.05058	7.4
143.10678	88.4
145.05017	2.5
149.05983	8.4
149.09581	2.3
160.11517	1.8
161.06493	2.4
167.10635	18.4
174.79425	1.5
189.27000	1.8
203.04085	2.7
203.07707	3.4
203.88451	1.7
209.11719	3.2
215.07603	8.2
221.05061	20.2
241.71761	1.7
245.09206	3.6
259.10678	1.8
269.13864	2.0
287.09915	11.3
287.14825	6.3
305.10907	47.7
305.14780	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34365	1.3
55.01863	1.3
55.05517	3.0
57.07087	2.0
61.02934	3.2
61.19165	1.3
67.05508	1.7
69.03426	10.2
70.06552	1.3
71.04639	2.2
71.04997	35.3
73.06559	2.8
79.05495	1.8
81.03403	3.7
81.07030	2.5
83.04981	10.3
83.08618	3.4
85.02907	31.1
85.06546	17.3
91.03961	2.2
91.05499	1.6
95.04978	19.7
97.02894	9.3
97.10165	14.4
99.04462	2.7
103.03940	3.5
107.08600	54.1
109.02884	2.9
121.06520	1.6
123.08054	1.6
125.09631	100.0
127.03885	8.5
131.04897	2.7
137.02339	18.7
137.05943	3.6
137.09596	3.7
139.05058	7.4
143.10678	88.4
145.05017	2.5
149.05983	8.4
149.09581	2.3
160.11517	1.8
161.06493	2.4
167.10635	18.4
174.79425	1.5
189.27000	1.8
203.04085	2.7
203.07707	3.4
203.88451	1.7
209.11719	3.2
215.07603	8.2
221.05061	20.2
241.71761	1.7
245.09206	3.6
259.10678	1.8
269.13864	2.0
287.09915	11.3
287.14825	6.3
305.10907	47.7
305.14780	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1746
Annotation	Miliusol
Peak:m/z	Relative Intensity
50.30471	4.1
55.01862	5.4
55.05516	23.6
57.03439	52.5
64.99673	5.8
67.05505	25.7
67.58228	4.5
69.07063	8.7
71.04992	11.6
79.05482	30.1
81.07078	41.4
83.08630	12.0
84.91919	5.5
91.05478	25.4
93.07036	37.8
95.04990	39.1
95.08611	28.2
105.07017	27.4
107.04958	9.3
107.08579	28.8
109.06522	37.8
109.10126	7.0
117.06998	13.1
119.08580	20.2
121.06512	13.5
121.10123	24.3
123.11714	5.6
125.06007	6.8
131.08553	22.7
133.06470	23.7
133.10162	9.2
135.08081	41.6
137.05977	29.5
143.08557	6.6
145.10114	10.2
147.08109	12.7
149.09625	10.6
151.07549	22.5
159.07974	7.5
161.05969	29.8
163.11179	6.9
166.34021	5.4
175.07494	11.0
191.14247	5.8
199.14917	7.4
202.36288	5.3
203.10544	6.5
231.13828	12.0
259.17017	26.4
269.15408	8.8
277.17969	7.3
287.16461	54.5
287.19492	9.7
305.17480	100.0
305.21045	26.1
305.24850	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Acalycixeniolide L
Peak:m/z	Relative Intensity
51.67260	1.4
51.84648	1.6
53.03941	2.5
53.54317	1.5
55.01873	8.0
55.05523	34.1
57.03446	100.0
59.05007	1.9
59.36687	1.8
62.05121	1.7
67.05512	53.5
67.05851	3.8
67.56184	1.6
69.03416	3.2
69.07083	17.1
71.05004	2.3
79.05502	40.5
81.07062	47.4
83.04999	7.3
83.08626	23.1
85.06528	18.3
91.05474	50.1
93.07050	40.6
95.04963	7.9
95.08620	20.3
97.06547	4.3
97.10171	26.3
105.03407	2.5
105.07038	35.3
107.04954	9.8
107.08585	33.8
109.06519	29.3
109.10155	12.7
111.08089	3.8
113.13525	2.0
115.07571	2.6
117.07015	38.8
119.08575	58.7
121.06499	4.3
121.10110	18.2
123.08035	4.3
125.09616	24.1
129.07001	15.0
130.31683	1.7
131.08565	44.2
133.06479	3.7
133.10107	21.4
135.08061	29.5
135.11694	8.4
137.09602	2.6
141.06955	2.2
142.07774	2.0
143.08565	20.3
145.06511	2.2
145.10127	40.8
147.08054	47.6
147.11681	11.3
149.09616	9.3
149.13304	2.6
153.09076	3.8
155.08563	3.1
157.10126	26.1
159.08121	2.1
159.11702	20.2
159.25922	2.0
161.09612	19.4
161.13251	2.1
163.11203	2.6
169.10147	4.6
171.11661	14.8
173.09641	3.3
173.13258	7.7
175.11159	8.2
183.11684	7.9
185.13240	3.1
189.12749	2.7
195.11674	3.9
199.14830	12.0
201.12755	12.5
203.12781	22.2
217.15855	40.2
233.15251	17.2
237.16338	4.2
245.15303	2.0
245.18855	3.4
247.16856	2.2
255.17473	18.7
273.18466	93.2
287.20062	4.3
288.19519	2.8
305.21173	71.5
305.24750	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14690	8.6
51.30827	8.5
51.91945	6.0
55.01881	7.1
55.05516	42.2
57.03438	47.8
57.38724	6.1
58.56594	6.8
59.36517	6.2
67.05505	38.2
69.07059	14.0
79.05504	56.1
81.07054	73.6
83.08620	16.9
91.05468	70.3
93.07042	49.7
95.04988	12.9
95.08622	11.0
97.10163	52.8
105.07044	35.0
107.04971	8.4
107.08607	40.0
109.06524	18.5
109.10154	14.3
117.07014	38.8
117.55149	7.6
119.08591	58.2
121.06465	8.5
121.10123	14.8
123.08060	7.8
125.09628	32.6
129.07018	12.3
131.08562	47.8
135.08066	31.2
135.49312	7.4
143.08583	16.8
145.10112	41.3
147.08058	79.6
149.09618	9.2
157.10132	9.7
161.06017	13.1
161.09648	13.9
171.11623	10.6
181.10255	10.4
203.12796	72.4
217.15831	15.6
240.44247	7.6
255.17416	15.2
259.12222	9.3
266.62851	7.4
273.18469	99.7
287.16440	14.5
301.16748	8.4
305.03027	8.6
305.17688	15.6
305.21088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
50.95229	2.8
52.06671	2.8
54.18570	2.5
54.69915	2.5
55.01876	6.9
55.05517	13.8
67.05509	13.9
68.89197	2.6
68.92284	2.6
69.07054	10.7
71.04990	3.2
71.08636	25.2
79.05512	27.0
81.03416	3.0
81.07053	32.5
83.08643	4.7
91.05467	21.1
93.07047	36.9
95.04962	15.3
95.08601	20.6
97.06517	5.0
99.08096	12.7
105.07042	17.8
107.04956	60.5
107.08578	13.3
109.10185	4.8
111.08073	3.2
117.07026	12.4
119.08562	17.5
121.06496	16.3
121.10167	5.2
123.08033	2.9
129.06966	13.7
131.08586	7.0
133.06483	4.6
133.10216	5.6
135.08047	18.1
143.08601	7.1
145.10158	5.2
147.08032	6.4
147.11690	3.5
149.09610	5.1
149.75536	2.8
151.11232	14.5
157.10129	12.3
161.09598	5.4
161.13301	4.0
163.11212	19.4
171.11784	4.1
175.11185	12.6
177.12717	36.0
189.12766	4.8
218.16891	2.6
241.11186	3.6
273.18503	41.8
305.09393	4.1
305.21155	100.0
305.24582	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Fusicogigantepoxide
Peak:m/z	Relative Intensity
51.72449	0.8
55.01862	1.3
55.05519	2.1
57.07083	20.9
67.05510	9.6
69.07075	10.2
71.04979	1.7
79.05473	6.1
80.55338	0.9
81.07058	14.7
83.08620	3.5
85.06543	14.2
85.32320	0.8
91.05499	1.4
93.07037	12.6
95.04942	3.8
95.08607	10.9
97.06493	1.2
98.87552	1.2
105.07008	4.5
107.08588	13.6
109.06529	11.1
109.10160	4.8
111.08101	0.9
117.54955	0.9
119.08576	5.1
121.10138	5.4
123.11707	2.1
131.08565	1.3
133.10144	3.9
133.37506	1.0
135.11682	6.9
137.09622	1.6
137.13329	1.2
139.08405	1.0
145.10168	1.4
147.11684	2.1
149.13269	2.0
153.44598	0.9
159.11668	1.1
161.13255	1.4
163.14786	1.3
165.11526	0.9
165.12750	6.6
178.83165	0.9
195.71249	1.0
219.17444	1.6
221.19012	12.9
226.25539	1.2
249.18555	1.7
264.24066	1.4
288.13193	1.0
305.24734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
54.22353	5.9
56.36582	5.9
67.05505	29.1
69.07069	10.7
79.05489	10.4
81.07063	15.5
88.77461	6.2
93.07035	39.7
95.08609	37.9
97.10196	8.4
107.08582	8.7
109.10141	12.5
121.10136	36.1
123.11726	7.8
135.11674	11.6
149.13234	12.5
173.33456	8.2
190.66072	7.0
204.21330	7.2
305.24414	100.0
305.29901	10.5
311.29346	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0756
Annotation	Atherospermidine
Peak:m/z	Relative Intensity
54.43967	0.3
60.64019	0.4
73.91666	0.3
82.52211	0.4
83.84488	0.3
110.01533	0.4
155.46799	0.4
182.22984	0.4
191.07266	0.4
263.05756	1.8
278.08118	100.0
292.09680	0.6
298.29855	0.4
306.07614	56.3
306.10812	3.1
321.99039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0968
Annotation	Melicarpine
Peak:m/z	Relative Intensity
55.85560	0.4
58.06589	1.0
63.72283	0.5
66.03846	0.5
70.06597	1.2
73.02911	0.8
74.06080	7.8
84.04491	0.6
86.06049	2.9
87.04482	2.6
91.05482	0.7
93.07027	0.7
95.08611	0.6
98.06042	2.1
99.04431	2.2
102.05509	1.0
113.07074	0.5
116.07082	4.7
120.06562	2.2
121.05633	0.9
121.06501	24.6
121.07341	1.2
123.04420	0.9
123.08050	11.1
126.05553	0.6
136.06197	0.7
142.05020	1.0
144.06578	3.8
147.04477	0.8
158.11780	0.8
162.05547	0.6
162.68130	0.5
168.10162	3.6
173.04590	0.7
174.05539	0.8
174.07510	0.8
176.07066	0.6
178.08615	2.4
186.11244	4.6
188.89745	0.6
190.05020	2.5
194.30182	0.5
206.08121	46.7
208.13344	6.0
218.04460	13.7
231.05222	0.7
234.07594	21.6
244.15414	17.5
246.07707	1.0
260.12888	0.9
262.07114	13.6
276.05075	0.6
288.18295	1.6
290.06622	9.1
291.07373	18.4
306.09729	100.0
306.13077	6.7
306.16556	26.7
322.56000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77350	0.5
68.95097	0.5
72.15498	0.7
80.65929	0.6
101.53152	0.7
131.04950	1.3
145.06468	3.7
146.07262	2.7
151.07590	0.6
161.05984	2.4
169.06517	0.8
177.54839	0.6
202.07838	0.8
203.08449	2.9
209.77264	0.7
215.08507	0.8
220.08745	1.3
231.08043	5.9
232.08882	2.2
233.15305	0.8
235.11206	4.2
243.08110	4.7
245.09619	5.9
246.10161	3.6
247.11053	1.2
248.08253	3.3
257.09402	0.9
259.07520	9.0
260.08258	4.7
262.09531	1.0
263.10666	11.5
270.53513	0.7
273.09079	8.5
274.09714	7.3
275.10562	19.6
276.07755	3.2
278.08115	4.2
288.11285	1.2
290.09177	0.8
291.10129	53.0
305.11652	5.1
306.07654	10.9
306.12433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1333
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
50.50018	0.5
53.01984	0.6
60.04531	0.8
70.24666	0.5
86.09708	3.1
91.05453	2.8
93.07071	5.3
97.02863	0.8
99.04508	0.8
102.05542	0.8
103.05467	3.4
107.04976	0.6
121.06507	100.0
122.06050	7.9
123.04472	3.0
124.03950	2.6
136.07617	0.6
138.05501	11.2
142.05034	0.6
144.10277	0.9
147.04424	0.9
150.05504	3.7
162.05470	1.0
164.07059	2.8
168.06570	13.5
174.07751	70.9
186.07614	11.4
193.88947	0.6
208.09723	3.3
214.34756	0.6
224.07501	0.7
242.11861	0.8
245.27711	0.6
258.11255	8.1
262.10812	0.7
270.21683	0.8
288.09430	0.7
288.12100	4.7
306.09708	3.0
306.13327	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1335
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
57.69778	0.7
65.88872	0.6
75.30885	0.6
82.86255	0.6
108.44653	0.7
110.07103	0.7
119.04903	1.1
123.04419	1.4
123.05511	1.6
123.07964	1.0
136.06139	1.0
142.05002	3.8
162.05476	0.7
164.07059	1.1
165.05487	0.7
172.07521	1.0
191.07054	1.1
200.06998	3.1
202.08488	0.7
206.08083	13.1
218.08122	49.0
232.61937	0.7
234.07660	1.2
242.11600	1.3
244.15347	1.6
260.09677	0.9
260.12784	24.6
270.11224	11.7
288.09106	1.5
288.12262	29.3
306.09723	10.3
306.13272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01877	3.6
56.05040	10.8
57.03435	2.6
58.06607	33.0
60.04516	3.0
60.56514	1.9
61.65100	2.1
67.68157	2.0
70.98844	2.1
71.04995	4.0
76.13933	2.2
81.03419	16.3
82.06557	2.8
83.04984	10.5
84.04511	3.3
84.08139	5.5
85.02920	18.0
86.06070	4.2
86.09722	22.9
88.07615	25.2
97.02917	16.7
98.06079	4.1
99.04445	39.0
100.07616	16.8
108.04466	2.9
108.08106	2.2
111.04443	3.0
112.07597	15.0
121.06483	3.7
124.07553	5.5
125.04707	4.1
126.05496	3.7
126.09145	19.0
127.03876	4.0
128.07048	2.5
136.07576	64.2
142.08643	3.4
144.10176	4.8
145.04921	2.3
154.08630	86.8
172.09669	40.5
176.66493	2.7
182.38634	2.2
190.10719	60.8
199.12993	2.5
225.00584	2.1
270.10669	3.5
270.13376	62.0
273.20496	2.6
288.11130	3.2
288.14404	100.0
289.93719	2.3
306.09647	10.7
306.15607	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
59.78066	0.7
62.55909	0.9
69.03442	3.6
72.04509	0.8
74.37198	0.9
83.96607	0.9
84.08147	3.8
86.06082	6.4
86.74059	0.8
87.04469	17.9
91.43900	0.8
95.63170	0.8
99.04464	4.6
104.07113	3.9
112.07613	40.1
112.08371	1.9
117.05473	10.2
130.08640	100.0
154.08704	1.9
190.10725	35.5
201.06354	1.0
204.06682	1.2
242.13893	1.0
288.14465	1.6
289.08228	1.6
306.07498	1.6
306.11319	4.2
306.15454	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03493	1.7
55.01884	2.2
55.05535	1.5
55.81362	1.4
56.05048	6.5
57.03426	2.0
58.06609	29.1
58.06843	1.6
58.94148	1.4
60.04537	2.2
69.03439	1.5
69.07078	2.5
71.05018	2.5
72.08150	1.7
73.02935	1.7
77.14555	1.6
81.03434	7.8
82.06584	1.7
83.05001	7.3
84.04521	2.0
84.08160	4.1
85.02898	14.6
86.06051	6.0
86.09712	42.8
86.10175	2.0
87.04503	1.9
88.07643	28.5
97.02866	17.3
98.06081	3.2
99.04453	43.4
100.07618	17.6
108.08161	1.9
109.02891	2.0
109.87836	1.8
110.06103	2.4
112.07597	15.9
116.07087	4.3
124.07605	7.4
125.04745	3.2
126.05533	3.5
126.09158	17.3
127.03946	2.0
128.07089	3.0
136.07571	50.3
142.08662	3.5
143.05823	2.4
144.10179	3.5
154.08623	68.9
160.58054	1.7
172.09683	37.5
190.09033	3.3
190.10721	41.0
212.98482	4.1
254.12978	1.8
266.28494	2.0
270.13330	49.7
270.15930	2.6
288.11166	3.9
288.14395	100.0
306.09753	9.7
306.15582	66.4
321.99481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76715	0.4
70.06565	0.5
81.03428	0.5
87.04450	0.7
88.07636	1.1
88.08671	0.4
91.05486	0.7
93.07047	4.0
95.04980	0.5
99.04436	4.3
103.05460	1.1
109.16648	0.5
115.55438	0.5
121.06499	99.1
123.08070	5.2
124.49617	0.5
168.10184	13.7
176.07042	2.0
186.11263	15.7
192.73236	0.5
206.08177	5.1
208.13313	6.0
214.68620	0.5
218.04456	0.6
220.13219	1.5
234.07639	2.7
244.15387	6.3
247.56946	0.5
268.66690	0.5
288.15744	0.7
290.06497	1.0
291.07275	1.9
306.09869	10.5
306.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Porritoxin
Peak:m/z	Relative Intensity
50.27701	0.3
72.11045	0.3
88.07632	5.4
90.12562	0.4
91.05497	1.7
93.07042	5.3
94.60737	0.4
95.04964	1.5
96.08089	0.7
99.04467	0.8
103.05479	1.9
121.06503	100.0
122.09662	0.6
136.06122	0.5
139.32533	0.4
140.07053	2.5
151.84637	0.4
158.00874	0.4
168.10193	31.9
186.11252	38.0
188.73148	0.4
191.40115	0.4
208.13303	0.6
288.15866	7.2
306.07431	1.5
306.16974	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1698
Annotation	Convolamine
Peak:m/z	Relative Intensity
67.76715	0.4
70.06565	0.5
81.03428	0.5
87.04450	0.7
88.07636	1.1
88.08671	0.4
91.05486	0.7
93.07047	4.0
95.04980	0.5
99.04436	4.3
103.05460	1.1
109.16648	0.5
115.55438	0.5
121.06499	99.1
123.08070	5.2
124.49617	0.5
168.10184	13.7
176.07042	2.0
186.11263	15.7
192.73236	0.5
206.08177	5.1
208.13313	6.0
214.68620	0.5
218.04456	0.6
220.13219	1.5
234.07639	2.7
244.15387	6.3
247.56946	0.5
268.66690	0.5
288.15744	0.7
290.06497	1.0
291.07275	1.9
306.09869	10.5
306.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27701	0.3
72.11045	0.3
88.07632	5.4
90.12562	0.4
91.05497	1.7
93.07042	5.3
94.60737	0.4
95.04964	1.5
96.08089	0.7
99.04467	0.8
103.05479	1.9
121.06503	100.0
122.09662	0.6
136.06122	0.5
139.32533	0.4
140.07053	2.5
151.84637	0.4
158.00874	0.4
168.10193	31.9
186.11252	38.0
188.73148	0.4
191.40115	0.4
208.13303	0.6
288.15866	7.2
306.07431	1.5
306.16974	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Knightalbinol
Peak:m/z	Relative Intensity
50.74066	0.3
53.02082	0.3
58.06602	0.5
71.50794	0.3
88.19736	0.3
91.05434	0.7
96.63586	0.4
110.09679	3.5
119.04884	0.5
121.06467	1.5
137.05983	7.7
161.05945	0.5
164.07054	8.9
170.11722	1.6
232.13304	0.7
244.13341	0.7
246.14880	100.0
274.10645	0.5
278.08160	2.5
306.07565	1.8
306.17001	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	ANISODAMINE
Peak:m/z	Relative Intensity
61.51895	0.3
70.98385	0.4
75.27193	0.4
89.09515	0.4
92.66041	0.4
93.07056	0.4
93.68091	0.4
116.06985	0.4
116.65584	0.4
121.06496	12.3
164.07076	0.4
177.07854	0.5
186.09137	7.8
190.08589	0.8
203.44865	0.4
232.16859	0.6
246.14888	3.0
260.16556	1.8
278.08203	2.5
288.15918	20.1
306.07883	1.8
306.17065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89037	0.2
66.16750	0.2
89.37563	0.2
121.06503	1.2
177.07788	0.5
178.08621	0.3
190.08611	0.9
232.16919	0.4
246.14799	1.8
260.16440	1.7
278.08154	3.4
288.15915	21.5
299.87164	0.2
306.07639	2.1
306.16983	100.0
328.04010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89037	0.2
66.16750	0.2
89.37563	0.2
121.06503	1.2
177.07788	0.5
178.08621	0.3
190.08611	0.9
232.16919	0.4
246.14799	1.8
260.16440	1.7
278.08154	3.4
288.15915	21.5
299.87164	0.2
306.07639	2.1
306.16983	100.0
328.04010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51895	0.3
70.98385	0.4
75.27193	0.4
89.09515	0.4
92.66041	0.4
93.07056	0.4
93.68091	0.4
116.06985	0.4
116.65584	0.4
121.06496	12.3
164.07076	0.4
177.07854	0.5
186.09137	7.8
190.08589	0.8
203.44865	0.4
232.16859	0.6
246.14888	3.0
260.16556	1.8
278.08203	2.5
288.15918	20.1
306.07883	1.8
306.17065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
67.05505	1.6
69.07057	1.6
70.71230	0.3
79.05473	0.3
81.07063	1.5
83.08614	0.4
91.05476	0.3
93.07050	0.4
94.04099	0.4
95.08591	1.4
97.12773	0.3
99.57460	0.3
107.08578	0.6
109.10141	0.7
114.09123	0.4
121.10134	0.5
122.03653	1.3
128.92612	0.4
133.10115	1.3
135.11670	2.2
137.05978	100.0
153.12746	0.6
165.12805	0.3
169.66182	0.3
170.15442	1.8
175.20767	0.3
182.15437	3.3
182.16777	0.4
271.24139	0.4
278.08124	1.5
284.48047	0.3
306.07596	1.4
306.20660	4.0
306.27936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2424
Annotation	17beta-Nitro-5alpha-androstane
Peak:m/z	Relative Intensity
51.56148	1.5
55.05515	3.5
58.88137	1.8
67.05515	13.9
69.07057	3.4
70.06603	2.2
72.08154	4.1
74.85927	1.7
78.67217	1.8
79.05505	23.1
81.07066	11.7
83.08627	2.8
91.05499	15.1
93.07040	18.3
95.08611	14.0
104.73129	2.4
105.07040	9.0
107.08604	8.7
109.10155	4.5
110.62712	1.7
117.07017	4.6
119.08572	8.5
121.10133	15.2
122.09702	2.0
123.11680	2.2
131.08554	2.5
133.10161	4.3
145.10153	2.6
147.11752	2.9
161.13382	2.2
163.45291	2.0
190.93774	2.1
278.08072	4.5
289.21677	3.2
306.07495	3.9
306.21161	3.6
306.24326	100.0
306.27869	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83438	0.6
57.06821	1.4
57.07083	19.4
67.05486	0.7
81.07053	1.3
88.07640	1.3
95.08591	0.9
107.04948	8.5
116.53471	0.7
119.08515	0.7
137.05984	1.3
152.10777	0.7
152.98134	0.7
163.11130	5.3
169.85999	0.7
194.11771	100.0
210.83841	0.7
219.17455	1.6
223.93773	0.6
250.18005	56.9
258.69299	0.7
271.17813	0.7
278.08127	4.0
306.07581	4.5
306.10971	1.3
306.21103	1.1
306.24280	32.6
306.27832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86606	0.8
55.05518	16.6
56.05038	19.2
56.99895	1.1
57.07074	2.4
58.06606	16.5
60.04518	2.3
63.57334	1.0
67.05476	1.2
67.65196	0.9
69.06702	1.3
69.07068	32.1
71.08636	1.5
74.06080	26.5
78.49223	1.0
81.07069	1.4
83.08620	22.4
86.06054	4.6
88.20125	1.1
95.08564	1.0
97.10164	20.9
104.07124	1.4
111.11726	9.1
119.60980	0.9
122.08136	87.9
128.32613	1.1
136.45702	1.0
151.07535	1.3
151.90013	0.9
154.48608	1.0
172.80006	0.9
183.17444	1.1
195.50172	1.0
258.24347	1.8
278.08093	14.5
288.19620	1.6
289.17856	2.1
306.07642	10.6
306.20624	9.1
306.26389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.4
57.07072	2.7
58.06610	6.5
60.04518	0.7
61.82448	0.4
71.08630	0.7
74.06084	4.5
74.87936	0.4
84.45607	0.5
86.06066	5.2
88.07635	15.7
92.90087	0.6
100.07578	0.6
104.06516	0.5
104.07098	4.9
118.08655	0.6
132.10213	4.9
149.57553	0.6
156.77594	0.5
161.84444	0.5
162.11237	2.9
166.10760	3.2
167.02800	0.5
182.19025	0.6
214.21652	47.8
218.20982	0.7
226.21669	1.1
253.72490	0.6
258.24271	18.2
288.25421	1.9
306.26373	100.0
312.65692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84054	0.6
56.05035	3.1
57.07080	3.0
58.06610	5.9
60.04520	1.0
62.26873	0.6
63.80535	0.7
71.08648	1.0
74.06087	4.1
86.06071	5.7
88.07632	14.5
103.63278	0.9
104.07121	4.4
118.08673	1.0
132.10196	3.4
162.11273	1.6
162.45290	0.8
166.10747	4.1
167.28696	0.7
178.13258	0.7
214.21649	56.8
245.53352	0.7
258.24271	19.3
288.25479	2.7
306.26389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86606	0.8
55.05518	16.6
56.05038	19.2
56.99895	1.1
57.07074	2.4
58.06606	16.5
60.04518	2.3
63.57334	1.0
67.05476	1.2
67.65196	0.9
69.06702	1.3
69.07068	32.1
71.08636	1.5
74.06080	26.5
78.49223	1.0
81.07069	1.4
83.08620	22.4
86.06054	4.6
88.20125	1.1
95.08564	1.0
97.10164	20.9
104.07124	1.4
111.11726	9.1
119.60980	0.9
122.08136	87.9
128.32613	1.1
136.45702	1.0
151.07535	1.3
151.90013	0.9
154.48608	1.0
172.80006	0.9
183.17444	1.1
195.50172	1.0
258.24347	1.8
278.08093	14.5
288.19620	1.6
289.17856	2.1
306.07642	10.6
306.20624	9.1
306.26389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22945	0.7
55.05525	10.3
56.05043	11.8
56.68040	0.8
57.07084	2.1
58.06608	8.1
60.04532	1.7
67.05530	1.1
68.05030	1.3
69.07073	25.3
71.04995	1.1
71.08626	1.5
74.05692	0.9
74.06082	17.0
79.05514	0.9
83.08626	17.0
85.10166	0.9
86.06073	4.4
88.07634	1.5
93.07072	0.9
97.10168	12.9
111.11726	5.8
118.08633	1.5
122.08140	46.9
133.79671	0.8
134.74898	1.0
144.76498	0.8
149.09598	1.1
183.17392	8.6
219.14091	1.1
258.24261	22.7
271.17014	1.2
278.08118	16.5
288.15985	1.2
289.17923	3.8
294.99673	1.1
306.07602	10.6
306.10593	1.2
306.20575	6.2
306.26392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05035	3.2
57.07073	3.5
58.06606	7.5
60.04528	0.8
60.45596	0.6
63.79800	0.6
66.86560	0.6
69.03442	0.9
69.07063	0.6
71.08641	0.8
74.06090	4.9
85.70756	0.7
86.06039	4.6
86.09705	3.0
88.07636	15.4
93.07026	1.0
104.07082	6.4
105.07045	1.0
118.08651	1.3
122.20624	0.7
132.10237	5.1
133.10159	0.7
147.11664	1.0
147.69568	0.7
159.50679	0.6
162.06383	1.5
162.11234	1.7
163.76129	0.7
166.10713	3.2
200.20169	0.9
214.21649	54.8
258.24298	17.2
263.40802	0.7
278.08142	2.7
279.89581	0.8
288.16763	2.8
288.25351	2.5
306.07666	1.5
306.17621	3.5
306.26382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22945	0.7
55.05525	10.3
56.05043	11.8
56.68040	0.8
57.07084	2.1
58.06608	8.1
60.04532	1.7
67.05530	1.1
68.05030	1.3
69.07073	25.3
71.04995	1.1
71.08626	1.5
74.05692	0.9
74.06082	17.0
79.05514	0.9
83.08626	17.0
85.10166	0.9
86.06073	4.4
88.07634	1.5
93.07072	0.9
97.10168	12.9
111.11726	5.8
118.08633	1.5
122.08140	46.9
133.79671	0.8
134.74898	1.0
144.76498	0.8
149.09598	1.1
183.17392	8.6
219.14091	1.1
258.24261	22.7
271.17014	1.2
278.08118	16.5
288.15985	1.2
289.17923	3.8
294.99673	1.1
306.07602	10.6
306.10593	1.2
306.20575	6.2
306.26392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31933	0.2
55.05519	4.4
57.07081	0.6
67.05508	5.1
68.56512	0.2
69.07071	6.0
77.91969	0.2
79.05492	1.5
81.07052	6.3
82.06592	0.3
83.08612	2.9
85.05277	1.4
86.06057	1.4
91.05502	0.3
93.07043	1.5
95.04983	0.2
95.08603	4.8
95.10374	0.2
96.08142	0.2
97.10152	0.5
98.06052	8.7
99.41841	0.2
100.07593	0.3
104.36458	0.3
105.07043	0.4
107.08575	0.6
109.10128	1.7
110.09750	0.2
112.07603	1.5
121.10128	0.5
123.11716	0.4
124.07635	0.3
124.11236	0.4
126.09161	0.3
132.72029	0.3
133.10117	0.4
134.73048	0.2
135.11642	0.4
137.05957	3.4
140.10689	0.6
154.12335	0.4
165.12689	0.3
168.13910	0.3
180.13849	0.3
182.15359	0.5
194.15355	0.4
196.17006	0.5
208.16942	1.1
210.60966	0.3
222.18520	0.6
236.20094	0.5
264.23251	0.4
278.08154	2.2
306.07602	1.7
306.27902	100.0
307.15616	0.3
324.56479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80946	0.5
55.05512	4.2
56.01428	0.6
57.07073	0.8
63.86910	0.6
65.46768	0.6
67.05494	3.9
68.06504	0.6
69.07071	6.4
78.12170	0.6
78.25508	0.6
78.96651	0.6
79.05515	0.8
81.07061	5.5
83.08611	3.0
90.38097	0.6
93.07040	1.3
95.05000	0.7
95.08623	5.1
98.06043	6.8
105.07042	0.7
109.06522	0.8
109.10111	2.6
109.14137	0.7
112.07560	0.9
114.91233	0.5
115.65553	0.5
119.85664	0.6
121.10105	0.9
121.50626	0.6
133.10085	0.8
137.05988	3.8
189.10764	0.7
197.05666	0.6
208.17001	1.2
214.75610	0.7
215.45335	0.6
219.13747	1.4
278.08087	4.6
289.25372	0.8
306.07687	5.6
306.20721	4.5
306.27908	100.0
317.30133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05520	4.7
56.04023	0.5
57.07077	0.5
67.05506	5.5
69.07072	6.5
69.08478	0.4
71.08630	0.9
73.96447	0.5
79.05482	1.0
80.89471	0.5
81.07066	6.1
83.08609	1.0
85.05293	0.6
86.06077	0.7
91.05499	0.5
93.07043	1.1
95.08607	6.0
97.10152	0.7
97.50820	0.5
98.06050	10.0
105.07005	0.9
107.08586	0.8
109.06519	1.0
109.10167	2.1
112.07564	0.8
117.67303	0.6
121.10173	0.7
122.97189	0.5
124.07494	0.5
137.06007	1.1
144.59134	0.5
149.13210	0.6
152.10786	0.5
154.12234	0.5
163.11110	0.6
165.12697	4.0
168.82634	0.5
182.15343	0.6
183.01573	0.5
191.14517	0.5
206.15335	0.6
208.16946	1.0
236.19768	0.6
278.08197	3.7
289.21738	1.2
306.07602	2.7
306.24670	5.0
306.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48745	1.3
55.05523	7.8
55.88994	1.3
57.07066	1.9
65.32489	1.4
66.75472	1.4
67.05187	2.0
67.05516	35.3
67.83807	1.4
69.07084	6.7
71.08647	2.0
72.04515	50.0
79.05489	8.8
79.28769	1.9
81.06612	2.5
81.07064	45.2
82.07397	2.3
83.08626	3.9
85.51065	1.9
91.05497	2.6
93.07041	13.3
95.08615	41.6
105.00642	2.0
105.07034	2.4
107.08583	12.9
109.10162	16.5
114.09158	11.1
117.07008	1.8
119.08571	2.5
121.10140	10.7
123.11687	9.0
128.10687	10.7
131.08583	2.4
133.10136	2.7
135.11690	6.8
137.13275	2.8
139.02747	1.7
142.12241	10.0
149.13338	3.1
154.12241	2.7
156.13835	6.5
159.11620	2.6
163.14774	3.1
170.15410	3.5
182.15482	1.7
184.17003	3.1
196.16833	2.2
198.18417	2.6
261.22134	2.0
263.39606	1.9
278.08121	88.2
289.25275	6.7
306.07620	47.6
306.10773	3.2
306.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.9
65.34585	2.6
67.05520	34.8
69.07062	4.5
69.56490	2.8
72.04155	4.0
72.04519	73.2
79.05502	5.0
79.26875	2.9
81.07060	44.8
83.08643	3.8
85.72892	2.5
87.97536	2.8
88.74908	2.5
93.07054	5.3
95.08617	39.5
107.08604	3.7
109.10146	17.7
114.09167	12.3
117.98243	3.3
121.10125	4.4
123.11717	6.2
128.10751	11.3
142.12299	4.7
147.11575	3.0
163.44940	2.8
168.13823	3.5
198.18488	4.0
246.02348	3.2
250.68349	3.9
278.08072	27.5
306.07770	20.5
306.25061	4.5
306.27884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	4.6
57.07082	10.5
60.91477	2.1
62.51175	2.4
63.37057	2.2
65.75812	2.0
67.05512	53.7
69.07077	17.0
71.08592	2.4
79.05495	12.1
81.07063	71.9
83.08630	14.8
91.05495	5.1
92.20947	2.4
93.07035	25.5
94.35341	2.1
95.04964	2.4
95.08610	70.1
97.10162	5.3
100.07653	3.9
101.00737	2.3
105.07074	4.6
107.08572	20.4
109.10171	39.2
114.09198	2.9
119.08574	10.1
121.10125	20.0
123.11693	9.9
131.08543	9.7
133.10143	4.2
135.11696	14.8
137.13260	3.1
145.10149	4.4
147.11606	4.5
149.13274	10.2
151.14854	2.8
156.13817	3.6
163.11194	3.9
173.13197	4.6
175.14822	3.3
183.71069	2.4
184.17091	2.8
187.14819	4.8
191.14267	2.8
191.18016	3.7
200.59653	2.6
201.16464	3.4
248.07054	3.8
260.20157	2.8
271.24200	16.6
278.08179	19.2
289.25290	43.7
306.07587	100.0
306.20718	10.1
306.24658	4.6
306.27979	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37769	1.2
53.93219	1.3
55.05511	9.3
56.22404	1.1
57.07074	3.7
65.81522	1.5
65.93892	1.2
67.05510	44.9
69.07060	13.7
72.04517	24.5
79.05491	9.9
81.07062	65.3
83.08611	8.4
91.05472	2.2
93.07042	11.9
95.08607	56.9
97.10184	3.0
105.07027	2.6
107.08606	8.7
109.10169	30.0
114.09148	10.0
121.10140	11.9
123.11702	15.9
124.98287	1.4
128.10722	9.3
133.10146	2.7
135.11694	6.3
137.13275	6.9
142.12292	6.2
145.10126	1.8
147.11678	2.7
149.13287	2.1
151.14807	2.2
156.13815	8.1
170.15344	7.6
177.16437	2.7
182.15529	2.0
184.16971	3.3
186.63548	1.8
198.18524	6.0
210.09698	1.5
212.20108	2.7
224.20114	2.9
243.21100	7.3
250.21925	1.6
261.22159	8.2
278.08109	9.5
306.07642	7.5
306.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.4
67.05518	19.7
69.07054	3.7
70.06589	7.3
72.08157	3.8
74.86847	1.5
75.87227	1.7
79.05502	24.1
81.07070	23.5
83.08608	2.2
85.06541	1.9
91.05489	18.4
93.07037	21.8
95.08592	14.9
105.07013	8.9
107.08575	8.0
109.10155	9.3
117.07017	3.6
119.08608	6.8
121.10168	16.1
130.67612	1.6
131.08557	3.8
133.10118	3.7
135.11700	4.0
137.47185	1.8
145.10127	2.3
147.11713	9.7
168.13878	2.7
278.08069	32.4
288.23199	7.5
288.26666	2.9
289.21497	4.0
306.07547	19.7
306.16962	2.2
306.20743	4.4
306.24274	100.0
306.27896	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37863	1.9
56.96297	2.5
56.96571	53.0
69.03451	2.2
74.97580	2.6
84.96050	3.7
92.40414	2.1
100.99142	52.5
101.71743	1.9
110.97583	8.0
115.61575	1.8
119.00169	17.2
126.96993	4.1
127.03880	2.1
128.98608	17.4
137.71376	2.1
144.98087	24.5
146.99646	30.5
154.96489	3.5
162.99129	21.9
165.00700	31.1
172.97580	25.4
183.01758	12.8
190.98622	76.2
208.99683	100.0
209.01663	3.2
227.00732	7.4
244.99644	8.0
263.00720	3.6
270.97583	2.6
288.98639	53.0
306.99747	51.4
307.13333	7.1
307.16693	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01033	0.1
65.03619	0.1
65.44469	0.1
67.58351	0.1
71.15610	0.1
80.22466	0.1
83.93980	0.1
88.07017	0.1
89.07256	0.1
101.00871	0.3
109.84046	0.1
114.60935	0.1
117.06396	0.1
117.69923	0.1
119.01943	1.1
121.42718	0.1
121.86941	0.1
137.02943	0.2
155.04419	0.1
177.00932	1.5
199.82648	0.1
201.00797	0.4
217.04100	0.3
219.01997	6.7
220.55643	0.1
225.00833	1.5
242.23952	0.1
243.01936	8.7
261.03049	100.0
263.03409	0.3
265.02722	0.2
266.03558	0.7
279.03986	0.1
284.04633	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66479	0.9
72.12862	1.0
73.78172	1.2
86.00143	1.1
87.00827	1.5
99.04422	1.6
121.06492	5.8
122.06827	2.0
130.05043	1.4
130.06520	49.3
132.04451	16.2
132.08081	5.5
146.06013	9.2
157.07602	100.0
158.06003	71.1
159.09158	24.2
160.07646	1.6
173.07111	1.8
175.08676	35.7
184.07521	2.0
185.07106	13.9
197.07072	6.0
199.08600	2.2
201.06532	5.1
203.08157	43.7
219.07846	1.2
221.09203	1.2
225.06612	2.2
227.08202	10.5
243.07678	8.9
245.09206	17.1
247.07126	1.8
261.08682	22.4
261.12030	1.7
264.06656	1.4
271.07095	18.4
289.08154	33.5
307.09119	9.1
307.12973	6.9
307.16663	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05513	2.9
53.31975	2.1
56.05030	3.8
57.03434	3.8
64.49641	2.9
69.03423	6.5
71.89833	2.7
72.04505	5.6
81.03412	39.9
83.04997	6.6
84.04508	20.2
85.02910	26.8
86.02428	4.0
87.05579	17.7
88.03990	4.4
96.04459	3.6
97.02906	27.2
99.04433	12.1
99.05569	4.9
100.03954	7.0
108.04477	3.0
109.02862	6.4
110.06020	4.0
111.04465	5.4
122.06049	5.0
127.03930	37.1
128.03453	20.8
133.06067	6.5
134.06000	7.2
136.03949	4.4
138.05519	5.5
144.06537	4.2
145.04993	9.4
145.06056	60.1
150.05516	5.1
152.07176	9.1
154.04977	11.1
156.06512	3.2
157.06120	4.7
160.04219	6.1
165.06590	7.5
166.04968	12.6
167.08148	7.0
168.06534	6.4
172.06064	6.9
174.07594	3.4
178.04961	5.0
180.06551	12.2
182.04500	5.1
186.07622	20.5
190.53342	3.1
194.04469	41.1
195.07642	20.7
196.06073	5.1
200.05522	15.9
206.04343	3.4
210.07666	16.7
211.07111	18.8
212.05536	5.3
213.08786	3.7
218.06732	5.3
223.07111	15.0
225.08636	3.1
230.06575	16.5
231.89122	3.4
239.44627	4.5
242.06683	5.9
253.08183	83.9
259.09131	4.1
271.09201	100.0
289.10303	66.1
307.11713	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05513	2.9
53.31975	2.1
56.05030	3.8
57.03434	3.8
64.49641	2.9
69.03423	6.5
71.89833	2.7
72.04505	5.6
81.03412	39.9
83.04997	6.6
84.04508	20.2
85.02910	26.8
86.02428	4.0
87.05579	17.7
88.03990	4.4
96.04459	3.6
97.02906	27.2
99.04433	12.1
99.05569	4.9
100.03954	7.0
108.04477	3.0
109.02862	6.4
110.06020	4.0
111.04465	5.4
122.06049	5.0
127.03930	37.1
128.03453	20.8
133.06067	6.5
134.06000	7.2
136.03949	4.4
138.05519	5.5
144.06537	4.2
145.04993	9.4
145.06056	60.1
150.05516	5.1
152.07176	9.1
154.04977	11.1
156.06512	3.2
157.06120	4.7
160.04219	6.1
165.06590	7.5
166.04968	12.6
167.08148	7.0
168.06534	6.4
172.06064	6.9
174.07594	3.4
178.04961	5.0
180.06551	12.2
182.04500	5.1
186.07622	20.5
190.53342	3.1
194.04469	41.1
195.07642	20.7
196.06073	5.1
200.05522	15.9
206.04343	3.4
210.07666	16.7
211.07111	18.8
212.05536	5.3
213.08786	3.7
218.06732	5.3
223.07111	15.0
225.08636	3.1
230.06575	16.5
231.89122	3.4
239.44627	4.5
242.06683	5.9
253.08183	83.9
259.09131	4.1
271.09201	100.0
289.10303	66.1
307.11713	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1175
Annotation	Murraculatin
Peak:m/z	Relative Intensity
54.35747	2.6
54.37942	2.7
54.75992	2.4
55.05525	5.5
64.52690	3.1
66.14501	3.4
67.05500	18.1
68.99786	5.8
76.80731	2.8
79.05493	8.2
80.37556	2.8
81.07066	16.3
83.05005	4.6
85.06546	6.7
90.58166	3.0
91.05463	22.7
93.07035	4.7
95.04979	5.4
105.07042	3.6
107.04954	15.3
110.72896	3.0
111.04461	5.6
117.80557	3.1
118.04173	3.4
119.04955	14.0
121.06458	3.2
123.04431	21.8
125.05933	3.1
129.06950	4.5
131.04942	6.2
131.08524	6.2
133.06525	3.7
135.04405	16.6
140.04715	5.8
141.06995	3.6
145.06482	15.2
145.76935	3.1
151.07582	16.0
153.05504	3.8
158.07330	7.0
159.08073	17.1
163.03877	26.1
167.07045	43.5
169.06528	4.6
171.08051	6.6
173.06035	3.4
173.09641	6.8
175.03929	13.3
175.07552	4.2
176.00102	3.1
177.05495	5.2
179.06992	25.6
181.04941	19.2
181.08578	7.3
183.08008	5.3
185.09680	6.7
187.07550	7.9
188.08333	3.9
189.09128	4.6
191.07028	27.2
192.04163	6.4
195.06493	7.1
197.06079	3.4
199.07506	6.6
201.09138	14.3
202.09927	5.4
205.04883	3.2
205.08549	6.2
207.06502	38.4
207.10138	3.9
209.08192	6.2
211.07413	5.2
213.09071	5.1
215.07146	5.2
217.08600	4.1
218.09409	6.0
219.06554	38.8
219.10207	19.0
221.08067	41.6
221.11638	4.1
223.06006	25.0
229.08574	13.1
231.10193	17.9
233.08202	4.1
233.11787	27.1
243.10049	5.9
245.11723	12.3
247.09802	5.5
247.13071	4.4
249.11168	4.6
257.07968	6.4
259.09732	7.6
261.11212	41.5
261.14941	3.8
264.07715	6.1
277.10745	21.2
277.13953	4.2
279.08807	3.7
279.12216	5.3
289.11093	23.1
289.13977	5.7
289.17905	5.6
307.09216	14.1
307.11758	100.0
307.15387	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72674	0.6
53.36398	0.6
54.94867	0.4
56.09799	0.5
85.74778	0.5
109.73470	0.6
139.91074	0.7
140.07074	1.4
157.07640	0.7
158.06062	0.6
163.08669	0.7
168.06538	1.3
178.08630	13.1
188.06958	0.9
196.09625	0.6
202.08652	4.1
205.09705	3.7
206.08110	3.1
216.10190	1.2
219.11186	4.2
220.09721	1.2
226.08672	1.3
229.09703	3.9
230.08147	5.8
235.10956	0.6
244.09700	5.8
247.10767	19.2
248.09081	1.3
254.08183	0.8
261.12393	1.2
262.10831	2.3
265.11804	21.7
271.10828	3.1
272.09155	3.3
289.11786	24.7
292.07184	2.4
307.12872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
52.72674	0.6
53.36398	0.6
54.94867	0.4
56.09799	0.5
85.74778	0.5
109.73470	0.6
139.91074	0.7
140.07074	1.4
157.07640	0.7
158.06062	0.6
163.08669	0.7
168.06538	1.3
178.08630	13.1
188.06958	0.9
196.09625	0.6
202.08652	4.1
205.09705	3.7
206.08110	3.1
216.10190	1.2
219.11186	4.2
220.09721	1.2
226.08672	1.3
229.09703	3.9
230.08147	5.8
235.10956	0.6
244.09700	5.8
247.10767	19.2
248.09081	1.3
254.08183	0.8
261.12393	1.2
262.10831	2.3
265.11804	21.7
271.10828	3.1
272.09155	3.3
289.11786	24.7
292.07184	2.4
307.12872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1325
Annotation	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
Peak:m/z	Relative Intensity
55.05510	0.7
57.03424	0.6
67.05510	0.8
69.07062	0.7
71.08573	0.6
74.64425	0.7
76.24116	0.5
79.05492	1.0
81.07063	1.4
83.08637	0.9
88.70359	0.6
91.05468	0.8
95.08585	1.0
107.05013	1.0
107.08598	1.1
119.08572	0.7
123.08061	2.7
129.07019	0.9
135.08092	1.1
137.09631	1.3
141.09148	0.9
151.07599	2.5
161.47462	0.7
163.07584	0.7
187.34377	0.6
202.07750	0.9
203.08464	4.5
204.09174	0.6
205.10269	0.8
215.08595	1.0
216.09293	1.5
217.10069	1.0
219.08034	0.8
231.08083	4.3
232.08852	1.4
233.09601	8.5
243.08170	0.6
245.09578	6.3
246.10381	3.7
247.07503	1.5
247.11218	1.0
248.08267	1.2
249.09212	5.0
260.08182	0.8
261.09128	14.1
263.10681	6.6
264.11377	0.9
271.16821	1.1
273.09140	1.2
274.09833	12.7
275.10608	4.3
276.11429	35.1
277.08636	18.1
279.08365	1.4
279.78476	0.7
289.17938	4.2
291.10077	3.5
292.07352	1.1
292.10910	17.2
303.59235	0.8
303.62634	0.7
307.08075	26.7
307.13235	100.0
307.19092	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50585	0.7
51.51453	0.7
52.65258	0.7
54.21821	0.7
55.10793	0.7
56.05047	0.7
58.06608	3.6
61.91150	0.8
84.04511	25.9
84.08149	100.0
85.37502	0.9
86.06073	8.0
86.09719	5.0
88.03996	4.7
121.06512	1.0
138.77805	0.9
141.13866	6.1
158.42024	0.9
169.13322	13.9
215.13919	57.6
241.48608	0.9
243.17023	39.9
243.19514	1.5
262.11063	3.3
307.09717	1.5
307.13107	6.2
307.16748	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05653	1.2
72.08147	2.5
89.03903	0.6
89.68510	0.5
114.10296	10.7
115.08672	1.2
117.03373	1.0
131.12929	3.3
145.02846	18.9
152.33794	0.8
177.05463	100.0
201.34158	0.7
209.84639	0.6
247.14391	3.0
248.12813	3.2
290.15030	3.8
307.17636	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35104	0.3
51.38164	0.4
58.58997	0.3
60.05640	1.6
60.75140	0.3
69.76620	0.3
72.08173	3.0
91.03948	0.4
97.07642	1.5
98.06050	0.4
114.10287	9.5
115.08695	2.3
117.03365	1.5
121.06517	1.6
122.06837	1.4
125.42980	0.4
131.12930	2.8
138.04099	0.4
145.02859	17.0
149.05945	0.6
157.10870	0.7
177.05464	100.0
184.00171	0.3
247.14333	2.8
248.12755	4.4
290.14899	3.8
307.17599	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1763
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
60.05645	1.9
66.71560	0.4
72.08158	3.3
89.03917	0.6
89.10790	0.7
97.07677	0.4
114.10296	10.6
115.08678	1.8
117.03387	1.6
121.06503	2.7
122.06828	1.8
125.48265	0.4
131.12952	3.2
138.66478	0.4
145.01685	0.6
145.02844	16.8
149.05960	0.7
157.10881	1.0
177.05467	100.0
223.06886	0.4
247.12102	0.5
247.14207	3.0
248.12878	4.0
265.15555	0.6
290.15012	3.6
307.17618	52.7
317.03998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
60.05652	2.7
65.63362	0.1
70.06562	0.1
71.36538	0.1
72.08152	5.9
89.03908	0.7
89.10774	0.7
92.39405	0.1
97.07651	1.1
98.06052	0.6
114.10281	13.9
115.08681	1.4
117.03363	2.2
128.11819	0.8
129.10164	0.1
131.12918	6.9
134.03569	0.1
135.04382	0.1
145.02838	23.6
149.05965	0.8
151.07578	0.1
157.07619	0.1
157.10858	1.1
158.05978	0.3
163.03883	3.8
175.08635	0.1
177.05452	100.0
232.11990	0.1
233.12848	0.5
234.11143	0.7
247.14369	1.4
248.12788	2.6
265.15488	0.4
290.14948	3.7
292.15005	0.1
307.17609	64.3
322.52896	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
59.74908	0.2
60.05649	1.2
69.03415	0.3
72.07806	0.3
72.08144	2.8
74.59521	0.3
81.03415	1.3
81.84318	0.3
89.03899	0.7
95.04932	0.4
97.07671	0.4
98.06056	0.5
109.02876	0.4
114.10294	9.8
115.08676	2.4
117.03342	2.1
121.06501	1.5
127.11137	0.3
131.12917	3.6
133.06430	0.3
135.04413	0.3
145.02841	17.9
147.04434	0.3
149.05975	0.5
157.10847	0.6
163.03899	2.7
177.05464	100.0
180.00195	0.3
233.05989	0.5
247.14467	3.0
248.12814	4.0
265.15302	0.5
278.08344	0.3
279.06378	0.3
289.12039	0.5
290.15021	2.9
307.09616	0.9
307.13007	2.0
307.17627	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1761
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
60.05653	1.2
72.08147	2.5
89.03903	0.6
89.68510	0.5
114.10296	10.7
115.08672	1.2
117.03373	1.0
131.12929	3.3
145.02846	18.9
152.33794	0.8
177.05463	100.0
201.34158	0.7
209.84639	0.6
247.14391	3.0
248.12813	3.2
290.15030	3.8
307.17636	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01879	8.9
55.05519	27.0
57.03441	38.9
61.94018	1.8
67.05505	31.2
69.03419	3.7
69.07070	10.4
69.52262	2.0
69.57932	2.0
71.04993	3.1
79.05490	24.3
81.07074	18.7
83.04980	4.0
83.08614	16.5
88.04420	2.3
91.05486	14.6
93.07043	22.3
95.04969	5.1
95.08598	12.5
97.06518	5.1
97.10157	26.2
105.07031	11.4
107.04960	15.4
107.08595	24.5
109.06505	13.0
109.10136	14.9
111.08071	3.9
117.07015	14.8
119.08570	16.3
121.06518	11.6
121.10180	4.1
125.05968	2.9
125.09649	20.5
129.06920	2.3
131.08540	10.0
132.99428	2.2
133.06419	3.7
133.10110	9.9
135.08063	24.5
137.05948	3.3
137.09680	8.3
145.10126	11.8
147.08051	2.9
147.11624	3.0
151.07570	3.4
153.09172	3.1
155.08435	2.5
157.10057	3.5
159.08057	36.5
159.11667	4.3
161.09641	5.1
163.07574	5.3
173.09615	3.4
177.09120	3.0
183.96637	2.4
189.11153	4.5
201.25169	2.6
215.14267	10.6
233.15375	18.1
243.17502	3.7
253.15808	10.2
261.18497	11.1
262.26953	2.4
271.16818	29.6
289.17972	100.0
307.08060	14.3
307.18900	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Capsiate
Peak:m/z	Relative Intensity
55.01873	6.8
55.05519	16.9
57.03444	20.2
62.39597	2.6
67.05518	26.1
69.03439	5.8
69.07072	14.2
70.09904	2.4
79.05500	30.3
79.77789	2.8
81.03426	3.5
81.07061	48.5
81.51363	2.6
83.04993	22.0
83.08623	13.1
91.05477	26.5
92.38895	2.5
93.07047	25.9
95.04955	12.4
95.08621	26.5
97.10185	23.0
98.40327	3.0
99.04450	14.6
105.07017	25.2
107.04952	24.7
107.08601	27.0
109.02866	6.6
109.06522	24.8
109.10165	16.8
111.04439	14.1
111.62152	3.1
117.07008	5.4
119.08564	23.3
121.06509	17.2
121.10157	13.9
123.08086	6.8
123.11726	3.2
125.09625	14.7
129.07065	5.9
131.08589	15.7
133.06500	3.9
133.10127	22.3
135.08083	30.8
135.11708	5.4
137.06044	4.6
137.09595	5.5
145.10123	12.3
147.08072	5.5
147.11705	5.4
151.07506	6.0
157.10173	3.4
159.08069	6.8
159.11716	3.7
161.09560	6.4
163.07544	14.0
163.11180	4.6
173.09709	4.9
173.13249	3.4
177.09113	5.2
177.12723	4.6
179.10745	5.2
187.11200	3.7
212.16455	4.3
215.14340	6.5
225.11189	3.9
233.15324	15.7
235.25682	2.7
242.75700	3.0
243.09100	12.7
243.17383	5.9
259.69766	3.0
261.10132	5.8
261.18433	27.4
271.16904	13.2
279.08453	17.5
289.17972	100.0
290.21161	3.6
307.08286	14.8
307.19006	46.8
307.22238	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.94923	3.0
55.05525	7.9
57.03440	16.9
67.05500	24.2
67.26356	3.3
69.07056	9.6
79.05495	27.6
81.03439	5.7
81.07074	37.8
83.05005	9.3
83.08622	9.3
91.05485	41.1
92.52117	4.0
93.07043	88.0
95.04962	26.4
95.08601	23.9
97.10147	6.2
103.05492	5.2
105.04504	4.1
105.07023	25.2
106.03327	4.5
107.04940	9.6
107.08610	28.9
109.06523	9.9
109.10142	9.7
116.59424	4.0
117.07015	4.6
119.08546	18.1
121.06509	100.0
121.10141	6.9
123.08022	8.5
125.09674	6.3
129.07014	6.9
131.08592	9.8
133.06490	9.4
133.10152	4.8
135.08080	18.7
137.09607	9.6
145.10118	6.3
147.08031	16.4
149.09584	7.1
151.07541	7.7
152.40018	3.7
157.10017	5.0
159.08115	6.0
161.09593	15.6
163.07582	16.1
167.10777	5.3
173.09587	6.3
177.09225	4.2
231.03406	4.5
240.91420	5.2
261.18552	6.3
271.16934	19.6
289.17953	91.9
306.70447	4.3
307.19022	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
50.06048	1.8
51.82009	2.1
55.01880	8.4
55.05524	17.8
57.03435	8.7
60.71438	2.0
67.04715	1.8
67.05502	18.6
69.07082	9.7
71.04998	2.5
79.05502	26.0
81.03422	2.7
81.07066	68.5
83.04955	7.6
83.08627	10.6
91.05493	14.5
93.07049	14.2
95.04951	11.9
95.08617	11.1
97.02889	3.1
97.06527	4.1
97.10169	16.6
97.30733	2.2
98.99297	2.0
103.05471	2.1
105.07047	19.3
107.04964	18.7
107.08585	21.6
109.02880	13.5
109.06526	49.0
109.10147	10.0
111.04424	3.6
111.08088	4.4
117.07043	10.4
119.08595	17.5
121.06479	32.1
121.10178	4.2
123.04444	7.5
123.08073	8.3
123.64692	2.2
125.09632	9.2
129.07013	2.2
131.08563	4.9
131.95346	2.2
133.06517	2.9
133.10120	14.4
135.08057	21.3
135.11703	3.9
137.09633	8.4
143.08589	3.5
145.06488	4.3
145.10147	8.5
147.08051	9.7
147.11670	3.8
149.09631	4.7
151.07558	4.8
153.09163	3.5
159.08057	18.2
159.11670	2.4
161.09599	11.7
163.07603	5.1
163.11200	2.3
165.09059	3.4
173.09634	3.1
177.09169	5.0
177.12500	2.0
179.10696	14.0
185.06165	2.0
191.10718	3.1
193.12276	2.2
243.17523	13.5
244.88765	2.3
247.16873	3.7
253.15938	2.5
261.18469	22.7
266.13718	2.1
271.16794	14.7
275.20224	3.6
289.17972	100.0
307.08191	25.2
307.19107	36.7
307.22458	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
51.70395	4.1
53.03930	4.7
55.01872	6.2
55.05515	25.5
57.03436	6.8
57.07076	9.1
59.05011	43.3
64.13561	4.1
67.05515	39.2
67.05805	4.1
67.61430	4.3
68.75383	4.4
69.07073	25.3
71.04993	5.1
76.94667	4.7
79.05497	35.6
81.03468	5.1
81.07071	83.6
82.58723	4.4
83.04985	12.9
83.08636	8.8
86.58517	4.4
87.84428	4.3
89.38035	4.4
91.05473	27.8
93.07051	27.9
95.04985	6.8
95.08616	37.3
97.06554	8.0
97.10167	23.9
105.07027	31.3
107.04953	49.4
107.08595	31.7
109.02881	73.0
109.06514	24.1
109.10149	26.6
111.04426	5.9
111.08070	9.7
114.92522	5.5
117.07001	19.2
119.08575	30.2
121.06464	6.9
121.10152	7.5
123.08127	5.9
125.09660	10.4
131.08571	23.5
133.10135	36.8
135.02417	5.3
135.08070	25.4
137.06027	9.1
138.06250	6.1
143.08487	7.0
145.06525	9.2
145.10103	8.6
147.08028	5.8
151.07503	8.9
159.08092	6.8
161.09592	36.2
163.07542	11.5
163.11128	6.6
171.07994	6.0
179.10649	21.2
189.09047	7.6
189.11180	6.2
225.11131	8.5
233.15541	6.6
243.17435	11.3
248.20120	7.1
261.18463	73.1
271.16965	18.6
282.35172	6.4
289.18011	100.0
307.08243	7.0
307.18781	97.5
307.26315	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
55.05512	2.7
57.07069	2.2
67.05499	6.0
67.56927	1.3
69.03432	1.8
69.07080	3.2
71.05016	1.3
71.08624	7.8
79.05494	2.0
81.07048	10.6
85.53085	1.3
88.15292	1.4
91.05470	1.7
93.07048	2.9
95.04990	10.6
95.08591	13.5
97.06561	4.4
97.10133	1.6
99.08107	3.0
99.59648	1.3
105.07018	3.0
107.08608	6.0
109.06526	14.1
109.10126	2.3
119.08567	1.5
121.06522	2.1
123.08053	1.6
123.87051	1.3
125.05978	3.1
131.08566	2.1
133.10094	1.6
135.11714	1.4
137.09618	1.6
145.10112	1.7
147.11607	1.6
163.07562	1.5
165.12747	100.0
173.13232	1.6
177.12817	1.6
191.14281	2.0
200.92056	1.8
279.08398	2.2
289.18033	5.7
289.21613	8.5
307.08398	10.5
307.11612	1.4
307.19406	2.4
307.22702	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03961	1.8
54.62562	1.8
55.01873	2.4
55.05513	13.9
57.03448	4.9
57.07076	16.9
60.29959	1.9
67.05515	14.6
69.03419	3.3
69.07073	9.8
71.04990	2.1
79.05497	13.9
81.07063	29.7
83.04978	2.9
83.08633	8.3
85.06529	13.0
91.05495	9.4
93.07047	29.3
95.04967	9.2
95.08579	20.2
97.06528	5.2
97.10167	8.7
99.08015	2.6
99.32098	2.2
99.41467	2.1
104.15405	2.1
105.07030	19.2
107.04964	8.6
107.08582	26.7
109.06520	36.9
109.10141	4.6
111.08044	2.2
114.44197	2.1
117.07022	3.9
119.08577	13.2
121.02859	2.7
121.06503	19.3
121.10124	11.7
123.04439	3.9
123.08041	8.2
131.08580	10.5
133.10139	12.3
135.08078	21.0
135.11720	3.9
136.97858	2.1
137.09624	2.7
145.10106	11.5
147.08011	2.8
147.11653	5.1
149.09682	3.5
149.13287	5.0
159.08086	3.7
159.11685	4.7
161.13332	2.5
163.07535	9.5
163.11186	10.8
163.14867	2.8
165.09082	8.8
165.12721	16.7
177.12775	10.2
179.10631	3.8
191.10675	12.8
191.14325	3.4
205.12233	94.3
206.44479	2.1
223.98465	2.0
233.15384	3.2
243.08978	2.5
243.20998	3.2
251.16351	2.3
261.22110	11.9
271.16812	4.1
278.08167	2.3
279.08569	3.6
289.17990	74.5
289.21606	100.0
289.24823	3.4
292.06039	8.3
301.34372	2.0
306.07715	2.8
307.08151	22.1
307.19073	14.9
307.22690	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01874	5.7
55.05512	9.9
57.03437	5.9
57.07079	6.4
60.56385	1.4
65.71729	1.4
67.05510	39.8
69.03416	1.7
69.07072	20.9
71.04993	1.7
71.08638	18.4
78.46730	1.3
79.05491	14.8
80.39194	1.2
81.03440	12.6
81.07062	43.3
83.04997	17.3
83.08626	10.5
85.06564	3.0
91.05472	13.2
93.07050	20.2
95.04964	19.2
95.08615	44.6
97.06526	3.6
97.10164	3.0
99.08137	11.3
99.08649	1.5
105.07040	7.1
107.04981	1.7
107.08604	15.6
109.06528	2.9
109.10143	22.7
111.04462	16.7
111.08058	1.8
116.65813	1.6
117.07040	2.9
119.08567	11.0
121.06506	6.1
121.10127	10.5
123.08076	3.6
123.11707	6.9
131.08588	9.7
133.10135	8.4
135.08051	3.5
135.11714	8.7
137.09634	9.0
137.13307	2.2
141.09109	2.3
147.08009	1.9
147.11658	3.5
149.09598	3.4
149.13274	2.8
151.11183	100.0
153.12689	2.3
159.08012	2.7
159.11647	5.7
161.09595	3.5
163.11169	2.5
165.12793	6.8
173.13220	2.4
177.12752	17.2
182.14366	1.5
187.11096	1.6
187.14870	2.3
233.15401	2.1
243.09064	6.2
247.20506	1.9
257.19089	1.6
261.10123	3.3
261.18176	1.6
275.20029	17.6
279.08630	8.1
289.18112	12.3
289.21365	2.0
289.25235	2.3
307.08282	11.5
307.19159	5.2
307.22665	60.5
307.26309	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
54.12416	2.2
55.01886	3.1
55.05518	4.9
57.03422	2.5
57.07076	4.0
63.00662	1.8
67.05513	16.9
69.07067	14.8
71.04996	2.5
71.08639	3.2
76.34040	2.2
79.05501	11.8
81.07075	25.3
81.72766	1.9
83.05002	3.1
83.08629	11.4
85.06574	2.2
91.05494	10.5
93.07047	9.1
95.05009	9.4
95.08607	25.2
97.06532	4.6
97.10195	2.8
99.08073	2.2
105.07043	13.0
107.08594	9.5
108.27335	2.2
109.06527	64.0
109.10186	13.2
119.08601	5.3
121.10136	5.1
123.08162	4.0
123.11683	4.1
131.08600	9.8
133.10149	3.5
135.11725	2.6
145.10121	9.9
149.09628	4.4
149.13286	2.4
151.11255	2.4
163.11189	3.0
165.12770	12.6
169.10100	3.2
172.06778	2.6
173.13239	3.8
177.12746	2.7
191.10716	25.5
191.14240	2.9
219.13716	4.7
251.16348	15.9
275.19995	4.0
289.18121	4.6
289.21573	9.3
307.08380	5.3
307.19089	5.3
307.22446	100.0
307.27719	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
55.05508	3.7
55.80268	1.6
57.07084	2.4
59.76419	1.5
62.54430	1.6
67.05511	4.7
69.07063	3.6
71.05029	1.7
71.08630	4.2
79.05508	2.5
81.07059	9.9
93.07029	4.4
95.04980	11.2
95.08607	10.3
99.08079	4.2
104.55109	1.7
105.07015	7.5
107.08586	2.6
109.06527	29.5
109.10192	2.7
119.08595	2.5
121.06478	2.5
121.10123	2.1
123.08076	3.6
135.11740	2.2
147.11662	2.9
163.11122	1.9
165.12743	100.0
177.12775	2.8
201.90454	2.1
251.16487	3.0
252.31076	2.3
261.22110	2.7
289.21530	21.9
307.22665	84.3
320.45938	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Epiadejone
Peak:m/z	Relative Intensity
55.01863	1.2
55.05523	9.5
57.03422	5.9
57.07072	2.9
67.05513	12.6
69.03413	2.1
69.07075	11.0
71.05001	1.9
71.08631	1.4
72.26236	1.3
78.17439	1.3
79.05494	11.8
81.03411	1.2
81.07063	21.2
83.04974	1.4
85.06543	2.8
91.05468	7.9
93.07037	17.1
95.04960	1.5
95.08614	18.1
97.06514	2.2
97.10146	5.5
102.12128	1.3
105.07038	18.3
107.04927	1.7
107.08595	22.9
109.06530	29.6
109.10165	9.8
111.08041	2.6
117.06954	2.3
119.08557	14.0
121.06516	16.5
121.10137	10.6
123.04407	1.3
123.08043	7.8
123.11678	2.6
125.09586	2.1
129.07002	1.2
131.08548	8.6
133.06502	1.7
133.10123	10.1
135.08052	12.5
135.11700	5.2
137.09534	1.8
138.45207	1.3
140.54376	1.4
143.08559	1.7
145.10146	8.7
147.08081	5.1
147.11679	9.2
148.19656	1.2
149.09599	2.9
149.13257	7.2
151.07408	1.3
151.11151	2.4
159.08047	5.0
159.11638	7.5
161.09584	2.1
161.13203	6.3
163.11148	11.0
163.14838	1.3
165.12744	19.6
173.13272	2.8
175.14783	1.9
177.09224	1.2
177.12717	6.8
186.14160	1.6
187.14763	2.8
189.12701	2.1
191.10678	2.6
191.14351	2.7
193.15918	1.3
205.12248	24.3
205.15948	2.0
215.14308	1.4
233.15376	2.3
243.21028	1.8
247.16872	2.0
251.16359	5.5
261.18594	2.0
261.22134	18.8
271.16989	2.8
271.20486	1.7
289.17984	44.8
289.21573	100.0
307.08252	6.4
307.19083	9.3
307.22623	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73131	2.8
55.01874	19.6
55.05523	43.2
57.03438	3.5
57.07067	3.3
58.99598	3.3
67.05511	52.4
68.47685	3.5
69.03459	3.7
69.07075	17.9
71.05004	3.9
79.05493	64.7
81.07061	71.8
83.04975	9.9
83.08626	23.0
84.21375	3.3
91.05466	26.4
93.07037	56.2
95.04984	4.7
95.08570	30.0
97.06555	34.7
97.10184	37.8
103.88425	3.4
105.07040	27.9
107.04973	19.8
107.08607	70.9
109.06504	25.7
109.10153	20.5
117.07011	9.0
119.08577	30.9
121.06525	5.6
121.10131	27.6
123.08045	3.9
123.11747	6.9
125.09642	40.8
131.08585	23.0
133.10103	27.7
135.08081	8.0
135.11734	9.4
136.87817	4.1
137.09602	4.5
137.27823	5.2
145.10144	16.8
147.11717	14.1
149.09610	63.5
153.09073	6.4
159.11737	7.9
163.11215	4.7
163.14841	3.9
173.13234	4.5
179.80295	4.4
203.12784	32.3
209.15305	5.0
219.17464	9.2
229.19518	6.0
257.19052	15.7
259.91190	4.0
275.20010	100.0
289.18048	18.8
307.19196	6.9
307.22723	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.07086	14.7
57.97163	0.8
62.90906	0.9
67.05493	6.1
69.07059	1.4
79.05519	0.8
80.05025	65.0
81.07075	7.7
85.10189	32.7
91.05482	1.2
93.07056	1.9
95.08611	8.5
97.02869	0.8
105.06983	1.2
107.08562	1.4
109.10159	4.5
111.08099	1.4
113.09647	18.6
121.10159	1.4
123.72714	1.0
135.11681	1.3
140.89011	0.9
150.12714	1.5
151.01451	0.9
160.11186	5.6
165.12747	5.3
178.12267	100.0
192.13832	1.3
195.14935	70.6
248.04785	0.9
289.18018	3.6
290.20752	6.8
298.15085	0.9
307.08286	1.7
307.23676	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19901	1.0
55.01879	5.4
55.05512	12.3
55.32854	1.4
55.98808	1.1
57.07074	5.5
59.11693	1.3
62.19518	1.4
67.05508	11.4
67.05790	1.2
69.07074	13.6
71.08598	1.2
77.50262	1.3
79.05499	10.5
81.07053	9.6
83.08624	40.0
85.06499	1.3
85.10173	2.1
86.09701	2.1
91.05457	2.9
93.07035	20.2
95.04973	2.5
95.08615	18.2
97.06512	3.2
97.10175	1.6
100.39147	1.6
107.08607	2.2
109.06517	6.9
109.10136	2.4
110.09695	13.8
111.08086	57.4
111.73087	1.6
114.66045	1.4
119.08533	1.6
121.06504	10.3
121.10136	2.1
123.11709	1.4
128.10707	29.4
129.09138	2.0
131.08522	1.8
135.11644	2.2
138.09140	17.3
139.07533	68.2
152.14340	13.8
153.24725	1.3
156.10194	73.8
157.08577	11.6
165.12732	2.0
174.11247	18.6
176.14374	1.6
178.12262	100.0
242.36377	1.4
244.20558	18.9
251.16216	1.5
262.21628	5.5
272.20096	9.6
279.08575	2.1
281.44809	1.4
290.21103	46.4
307.08170	8.2
307.23715	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15802	1.1
55.01858	1.6
55.05519	1.9
57.03461	1.3
66.83402	1.4
67.05512	2.9
69.03427	6.5
69.07061	17.2
71.08633	5.9
72.08143	2.9
79.05498	17.1
81.07058	17.9
82.92404	1.4
83.34963	1.4
93.07044	3.7
95.04962	2.8
95.08609	7.7
96.08128	31.1
97.06531	16.0
105.07040	2.1
107.04944	3.6
107.08584	2.1
109.10123	2.8
114.09163	34.2
119.08571	1.5
121.10111	2.4
124.07595	19.8
125.05994	100.0
131.08562	1.9
135.08067	1.8
142.08638	89.6
143.07048	31.0
145.10115	2.3
159.08159	1.6
165.12761	2.0
166.15906	6.1
187.11325	1.7
192.13832	91.6
208.68584	1.5
219.13988	1.6
221.17198	2.9
244.20609	60.1
256.29523	1.7
262.21335	1.6
271.16995	1.7
272.20071	9.5
279.08365	3.0
289.17905	20.1
289.20956	1.7
289.21970	1.3
290.21112	39.3
292.25882	2.0
307.08322	3.2
307.12012	1.6
307.19110	13.7
307.23727	53.8
307.26373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19901	1.0
55.01879	5.4
55.05512	12.3
55.32854	1.4
55.98808	1.1
57.07074	5.5
59.11693	1.3
62.19518	1.4
67.05508	11.4
67.05790	1.2
69.07074	13.6
71.08598	1.2
77.50262	1.3
79.05499	10.5
81.07053	9.6
83.08624	40.0
85.06499	1.3
85.10173	2.1
86.09701	2.1
91.05457	2.9
93.07035	20.2
95.04973	2.5
95.08615	18.2
97.06512	3.2
97.10175	1.6
100.39147	1.6
107.08607	2.2
109.06517	6.9
109.10136	2.4
110.09695	13.8
111.08086	57.4
111.73087	1.6
114.66045	1.4
119.08533	1.6
121.06504	10.3
121.10136	2.1
123.11709	1.4
128.10707	29.4
129.09138	2.0
131.08522	1.8
135.11644	2.2
138.09140	17.3
139.07533	68.2
152.14340	13.8
153.24725	1.3
156.10194	73.8
157.08577	11.6
165.12732	2.0
174.11247	18.6
176.14374	1.6
178.12262	100.0
242.36377	1.4
244.20558	18.9
251.16216	1.5
262.21628	5.5
272.20096	9.6
279.08575	2.1
281.44809	1.4
290.21103	46.4
307.08170	8.2
307.23715	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.3
56.05836	0.4
67.05510	3.7
69.07069	4.6
70.07406	0.9
71.08622	1.9
79.05494	0.7
80.05020	1.5
81.07075	4.4
82.07388	1.5
83.08619	2.0
84.09111	0.3
85.05276	0.5
86.06075	0.9
93.07021	0.7
94.39711	0.4
95.08598	2.4
96.08918	1.6
98.06042	6.4
99.05824	0.4
99.06386	2.7
99.08095	0.6
105.07042	0.5
105.54205	0.4
107.08603	0.9
109.10159	0.6
110.10484	0.5
111.54448	0.3
112.07592	0.6
113.07937	0.4
119.08596	0.4
121.10114	0.8
127.09503	0.4
135.08090	0.4
136.23029	0.4
138.12740	0.4
140.10718	0.6
146.69888	0.4
151.82709	0.4
154.12254	0.6
192.13800	5.3
209.16479	0.7
223.18848	0.6
307.08438	0.6
307.28232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	0.4
70.06611	0.5
75.95718	0.3
78.26142	0.4
78.95416	0.4
84.40027	0.4
121.06545	2.6
141.12306	0.4
146.06059	1.6
153.66722	0.5
163.72099	0.4
204.10344	2.5
237.55299	0.4
264.04202	22.6
264.06921	0.8
265.07376	0.5
280.09827	0.8
290.16223	0.5
293.06934	0.7
308.03345	49.6
308.09091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49729	0.3
68.87139	0.3
74.51021	0.3
81.82232	0.4
125.92236	0.3
129.29018	0.3
143.53842	0.3
148.61974	0.4
159.05882	0.4
250.08583	0.4
265.07300	2.4
278.08191	1.4
280.09695	13.6
280.12604	0.7
306.07584	2.4
308.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40174	0.1
55.99118	0.1
57.19310	0.1
61.14541	0.1
67.05524	0.1
87.04473	0.3
89.86588	0.1
94.92596	0.1
105.18053	0.1
131.04926	0.2
145.06476	0.2
149.05978	1.9
151.15349	0.2
156.63925	0.1
163.07530	0.7
173.05943	0.2
204.13818	0.6
222.14851	0.2
234.09113	0.1
242.98730	0.1
250.08540	0.5
265.07291	1.8
273.14890	0.2
278.08133	1.5
279.08871	0.2
280.09656	9.7
293.06860	0.3
305.66061	0.1
306.07608	2.3
308.09137	100.0
308.18439	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42012	0.5
72.87154	0.4
88.97639	0.5
188.60652	0.6
236.07091	0.9
237.07918	1.2
241.64874	0.5
251.09431	0.5
265.07327	32.2
269.08594	0.5
279.08850	8.7
280.09689	100.0
292.09753	2.6
293.06870	0.7
293.10117	0.7
307.08368	2.7
308.09204	78.0
308.12729	8.3
314.89630	0.5
329.43900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0917
Annotation	Artabonatine D
Peak:m/z	Relative Intensity
50.41622	0.3
52.88351	0.3
53.41927	0.4
80.64794	0.4
81.90681	0.4
84.77189	0.3
87.42627	0.4
91.39424	0.4
102.99886	0.4
236.07130	0.8
237.07748	1.4
251.09151	0.5
265.07318	31.6
279.08920	6.4
280.09683	100.0
292.09732	0.8
293.06787	1.4
293.09882	0.9
307.08453	2.8
308.09189	74.7
308.12680	6.7
309.29224	0.4
318.38568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63127	0.3
53.95132	0.3
60.64302	0.3
118.67155	0.3
144.50885	0.3
145.09070	0.3
196.29509	0.3
250.08626	0.5
265.07330	2.7
278.08179	1.2
280.09659	13.3
306.07678	3.2
308.09155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0914
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.97192	0.2
52.24722	0.3
53.29201	0.2
54.13065	0.2
60.32966	0.2
72.51795	0.2
75.31625	0.2
76.00790	0.2
78.39405	0.3
81.19832	0.3
85.11947	0.2
86.01783	0.3
147.48817	0.3
161.75824	0.3
251.09193	0.5
265.07291	0.6
278.08066	0.7
279.08682	0.7
280.09454	3.6
281.00839	0.3
293.06763	1.5
303.16232	0.3
306.07523	1.4
308.09128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42316	0.2
53.33039	0.2
53.72679	0.2
59.55379	0.2
62.75299	0.2
92.24191	0.2
104.06234	0.2
162.64017	0.2
165.91653	0.2
177.93813	0.2
187.46323	0.2
265.07437	1.8
278.08118	1.0
279.08792	0.4
280.09689	4.7
293.06906	1.4
303.66827	0.3
306.07388	0.2
308.09155	100.0
323.40445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44073	0.5
62.29599	0.6
162.56712	0.6
181.12440	0.6
197.13976	0.7
237.07828	1.3
245.21269	0.7
265.07315	30.8
273.79352	0.6
279.08820	8.1
280.09674	100.0
292.09766	1.0
293.10251	0.9
307.08398	3.4
308.09164	75.5
308.12631	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66766	0.4
52.63365	0.5
62.57679	0.6
63.03676	0.6
78.94070	0.4
79.13194	0.6
99.47305	0.5
144.30722	0.6
237.07777	2.5
265.07324	30.0
279.08908	7.3
280.09674	100.0
292.09708	3.8
298.57733	0.6
307.08505	2.7
308.09195	82.9
308.12729	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70554	0.3
76.41068	0.3
83.55410	0.3
87.68594	0.3
97.21286	0.3
209.54852	0.4
236.06932	0.4
237.07736	1.8
254.04970	0.4
265.07321	27.6
279.08981	3.6
280.09677	100.0
292.09558	0.7
293.06754	0.6
307.08389	1.9
308.09177	83.2
308.12494	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0914
Annotation	Artabonatine D
Peak:m/z	Relative Intensity
50.67591	0.2
57.25799	0.2
62.95712	0.2
65.10755	0.2
70.43412	0.2
86.12640	0.2
215.28596	0.2
236.07060	0.9
237.07732	1.3
251.09331	0.4
262.08609	0.2
264.10007	0.7
265.07318	27.7
278.08255	0.3
279.08896	7.8
280.09674	91.9
292.09644	3.8
293.06836	1.5
293.10376	1.8
306.07788	0.2
307.08331	2.5
308.09186	100.0
308.12720	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0918
Annotation	Artabonatine D
Peak:m/z	Relative Intensity
58.92128	0.3
61.07525	0.3
72.03021	0.3
92.10826	0.3
94.87658	0.4
100.85922	0.3
132.47945	0.4
163.11156	0.4
236.07030	1.6
237.07800	1.9
265.07315	29.2
274.40930	0.4
276.56924	0.4
279.08963	4.4
280.09668	100.0
292.09589	1.7
293.06763	1.4
300.00241	0.4
307.08411	2.5
308.09171	85.4
308.12521	5.6
310.05667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0917
Annotation	Glutathione
Peak:m/z	Relative Intensity
59.30826	0.2
59.90762	0.2
83.08626	0.3
84.85040	0.2
93.07031	0.3
95.08614	0.4
97.10181	0.3
103.05453	0.4
121.06519	0.3
123.04421	1.1
129.34892	0.3
131.04919	1.5
137.05974	1.6
139.72542	0.2
145.06456	1.2
147.04387	1.3
149.05988	15.1
161.05861	0.7
163.07515	4.8
165.05489	1.6
166.08612	0.3
173.05983	0.3
175.07523	1.4
177.09058	0.4
187.07544	0.4
189.08992	0.3
191.92706	0.2
234.93907	0.3
250.08374	0.3
255.13734	1.0
265.07355	1.6
266.12033	0.4
273.14801	1.7
278.08081	1.5
280.09689	10.4
290.12119	0.4
290.17667	0.4
291.15945	1.1
306.07623	1.9
308.09161	100.0
308.18533	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58137	0.4
62.54552	0.5
65.51659	0.6
74.93559	0.5
78.47803	0.5
176.36005	0.6
237.07748	1.3
252.87917	0.6
265.07321	32.1
279.08856	4.4
280.09686	100.0
293.07013	0.7
307.08487	1.2
308.09167	74.7
308.12396	3.6
319.61423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61522	0.4
61.40689	0.5
69.48955	0.4
73.13110	0.6
85.02931	0.5
90.05563	1.0
91.05467	1.1
91.43030	0.5
93.07044	3.1
93.15180	0.6
95.04975	0.7
99.04435	2.5
103.05461	1.1
106.97003	0.6
111.04461	0.6
113.28843	0.6
120.02752	0.8
121.06496	95.9
129.05463	1.2
140.06981	0.6
146.06032	1.0
152.07059	3.4
164.06889	0.6
170.08084	4.1
188.09157	19.1
189.07838	0.8
195.80380	0.6
204.10187	100.0
207.04851	0.6
210.11237	2.3
222.11218	5.3
246.11290	0.9
262.14438	4.2
264.12274	9.1
290.13797	2.3
294.94022	0.6
301.00766	0.6
308.11243	39.2
308.14902	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1492
Annotation	Convoline
Peak:m/z	Relative Intensity
52.82371	0.6
80.30373	0.5
84.16068	0.6
85.02853	0.5
90.05552	0.8
91.05457	1.2
93.07027	4.2
97.02899	0.7
99.04456	2.1
102.00417	0.6
103.05458	1.3
121.06500	100.0
123.04437	0.6
129.05466	0.9
146.06032	1.0
152.07043	3.6
164.07126	0.6
170.08125	4.4
174.06915	0.6
185.38989	0.6
188.07591	0.8
188.09178	18.3
204.10184	19.5
210.11189	4.0
222.11223	1.4
244.15503	0.9
264.04083	1.3
264.12289	1.2
271.61490	0.6
290.13522	1.1
290.16302	0.9
308.03021	2.5
308.08719	3.1
308.11276	8.9
308.14841	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21858	0.4
51.30103	0.5
53.03962	0.5
55.01874	2.4
55.05513	7.7
57.03435	3.2
61.02934	3.0
62.20093	0.4
69.03436	7.4
69.07077	10.6
71.04984	0.9
73.02913	0.9
73.06549	2.2
81.03413	2.4
82.59187	0.6
83.08128	1.3
83.08625	31.2
85.02909	45.4
85.06547	2.8
85.81961	0.5
87.04517	0.7
87.08105	0.5
88.14954	0.5
91.03973	0.9
91.05503	0.8
93.07052	6.8
97.02895	9.8
99.04465	2.6
109.02876	4.1
111.08084	47.8
112.05783	0.6
114.91817	0.6
120.08112	10.8
127.03920	9.9
129.09120	100.0
145.04974	9.0
146.11742	4.1
155.93694	0.6
163.06001	0.9
178.80319	0.5
180.08670	3.3
191.11806	3.3
208.87393	0.5
219.11270	0.9
236.63745	0.7
265.07101	0.7
267.05457	0.6
280.09436	1.0
308.08942	4.9
308.17203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1855
Annotation	4-Hydroxydendroxine
Peak:m/z	Relative Intensity
55.01871	0.2
55.05518	1.1
60.52635	0.1
62.33732	0.1
66.58511	0.1
67.05497	0.9
69.07070	1.2
70.63194	0.1
71.04991	0.2
74.94210	0.1
79.05483	0.9
81.07058	1.4
83.08621	1.7
83.47871	0.1
85.06534	0.2
87.04463	0.7
91.05473	0.7
93.07036	0.9
95.08607	2.4
97.06568	0.2
97.10175	1.0
103.05472	2.4
106.06498	0.1
106.75610	0.1
107.08575	0.7
109.10150	0.6
111.08054	0.5
113.06062	0.1
115.05468	0.6
117.07024	1.8
119.08567	0.5
121.06490	0.7
121.10155	0.2
123.04425	6.5
125.09595	0.2
128.26216	0.1
129.07022	0.2
131.04921	11.2
131.08543	0.7
133.06480	0.2
135.08067	0.1
137.05972	8.8
137.09593	0.8
143.04884	0.2
143.08580	0.1
145.06480	8.3
146.06062	0.2
147.04407	6.8
147.05597	0.2
147.07994	0.2
149.05975	85.4
151.07553	1.0
152.07080	0.2
154.08617	0.6
154.12286	0.2
157.06480	3.4
159.08011	2.4
161.05971	5.4
162.06734	0.5
163.07529	26.9
164.07071	1.9
165.04039	0.3
165.05453	6.6
166.08620	2.2
167.07076	0.3
167.08611	0.1
169.06476	0.4
171.08052	1.0
172.13300	0.3
173.05971	4.6
173.09605	0.2
175.07532	8.5
177.05473	0.5
177.09087	4.0
180.06528	0.1
185.09610	0.2
187.07521	2.7
189.09103	3.5
191.07054	0.2
191.10680	0.2
195.07979	0.2
199.07520	1.8
199.11101	0.2
201.09007	0.2
203.10701	0.5
204.13792	1.0
209.13177	0.6
211.11298	0.4
213.09062	1.4
213.12466	0.1
222.14926	0.6
227.10617	0.2
227.14326	0.8
229.12212	0.3
237.12741	2.0
245.15431	1.1
255.13789	4.3
262.54327	0.1
266.12000	0.1
272.16434	0.2
273.14819	9.4
280.09808	0.2
290.17523	2.4
291.12601	0.2
291.15897	6.3
308.09152	2.9
308.18533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1853
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
55.05511	0.4
63.73405	0.2
64.44304	0.2
65.48333	0.2
67.05514	0.4
72.37463	0.3
78.03657	0.3
79.05501	0.6
81.07053	0.5
82.26752	0.3
83.08635	0.4
87.83169	0.2
91.05468	0.7
93.07042	2.3
93.07560	0.3
97.10170	1.1
103.05477	1.2
107.08660	2.0
116.16215	0.2
121.06506	100.0
125.09641	1.7
135.08067	0.4
136.07596	1.7
138.09135	5.7
168.58266	0.3
222.79224	0.3
262.18140	0.4
280.63354	0.3
290.17517	14.4
292.09863	0.4
308.09183	5.3
308.12656	0.6
308.18536	3.2
319.87439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1852
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
51.65511	0.3
55.05516	1.4
67.05505	0.7
69.07047	0.7
79.05480	0.5
81.07067	0.9
83.08598	1.4
85.06581	0.4
91.05471	0.6
92.20975	0.4
93.07035	1.5
95.08587	1.9
97.10189	0.5
103.05461	2.6
117.07004	1.3
119.04870	0.3
121.06528	0.6
123.04411	6.2
131.04919	9.8
137.05962	8.4
145.06485	8.6
147.04396	7.1
149.05968	85.2
157.06480	2.5
159.08044	2.8
161.05951	5.1
163.07515	27.0
164.07057	1.6
165.05472	6.4
166.08531	2.6
169.06454	0.5
173.05916	5.4
173.09549	0.4
175.07515	9.3
177.09038	5.0
187.07550	2.0
189.09068	4.0
189.10609	0.4
191.10428	0.4
199.07567	1.8
204.13765	0.7
209.13220	0.7
213.08986	0.8
237.12700	1.9
245.15317	1.6
255.13744	5.0
273.14844	8.8
280.09479	0.5
290.17563	2.6
291.15854	6.1
308.09183	8.2
308.18524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10229	0.3
52.30616	0.3
55.05515	0.7
67.05493	0.5
69.07058	0.6
73.68345	0.3
81.07042	0.6
83.08622	1.5
83.34885	0.4
85.79448	0.3
93.07066	0.6
95.08614	3.3
97.10169	0.6
103.05434	1.9
117.07023	0.8
121.06544	0.4
123.04421	7.3
128.47533	0.4
131.03969	0.4
131.04932	10.2
131.08507	0.4
137.05969	8.5
145.06493	7.5
147.04395	6.3
149.05975	84.3
157.06427	2.5
159.08031	1.7
161.05963	5.5
163.07530	28.2
164.07025	1.7
165.05460	7.4
166.08629	2.0
171.08064	1.5
173.05945	4.5
175.07544	9.5
177.09105	4.4
187.07578	2.4
189.09065	3.8
199.07513	2.1
209.13126	0.8
211.11348	0.4
213.09142	0.7
220.11633	0.4
227.14352	0.7
237.12689	1.8
245.15340	0.6
246.59024	0.4
248.11176	0.6
255.13800	4.8
266.12076	0.4
273.14795	8.7
290.12076	1.5
290.17517	2.6
291.15863	6.3
308.09167	5.4
308.12991	5.3
308.18536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19190	5.1
53.12458	5.3
53.68988	5.0
67.08422	7.5
69.25402	6.1
72.08162	50.9
77.63634	6.9
79.09707	6.9
82.73534	6.3
84.08154	42.2
112.11244	70.6
113.68309	8.4
129.13879	27.9
146.82108	7.3
216.12312	40.2
278.06140	7.2
308.09253	32.5
308.21869	100.0
311.92502	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
53.07282	0.8
55.05507	4.0
67.05504	1.7
69.07066	0.8
71.08649	7.8
72.62963	0.9
79.05499	2.3
80.05014	1.3
81.07060	2.4
95.08583	1.8
97.10150	3.9
99.08090	1.6
107.08582	5.9
109.06508	1.5
109.84824	1.0
110.06836	2.0
125.09615	4.0
135.08018	1.3
139.89079	1.1
142.20351	1.1
149.31476	0.9
164.10701	26.9
165.12715	4.3
166.13086	5.6
192.13857	26.5
204.98471	0.9
240.51730	1.1
262.21658	1.7
280.09680	1.8
290.21188	22.3
308.09155	100.0
308.22537	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	3.3
62.45699	0.8
67.05495	1.9
69.07066	1.0
69.38031	0.8
71.08647	1.1
73.16232	0.9
79.05484	1.5
81.03424	18.5
81.07047	1.4
83.08620	1.3
85.10184	10.1
85.75375	0.8
89.49825	1.1
89.56823	0.8
90.43878	0.8
93.07073	1.9
95.04962	1.1
95.08591	3.8
97.06544	1.0
104.21877	0.8
105.07008	0.9
107.08578	1.6
109.02866	0.8
109.10094	0.9
113.09633	5.7
123.04422	3.3
125.09565	0.9
133.10220	0.9
135.08083	3.3
154.75208	0.8
161.09612	1.2
165.09122	6.8
170.11755	4.9
174.95692	0.9
179.10661	100.0
193.12283	1.2
196.13345	16.8
209.50551	0.8
246.46283	0.9
290.21204	1.1
291.19513	14.3
308.09143	36.3
308.22217	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
57.03430	0.3
57.07087	6.4
67.05515	2.6
69.07065	0.7
79.05486	0.9
81.03410	0.7
81.07057	2.4
83.08630	0.8
85.06545	6.2
91.05447	0.7
93.07030	1.9
94.07401	0.3
95.04968	2.4
95.08604	1.4
97.06531	0.6
97.10197	0.7
99.08065	0.4
105.07028	1.3
106.07329	0.3
107.08580	1.5
109.06541	0.7
109.10136	1.4
109.49071	0.3
111.04408	0.6
111.08086	0.4
119.08556	2.0
121.06501	0.3
121.10154	0.8
123.08041	0.7
125.09621	0.5
129.07146	0.4
131.00490	0.4
131.08568	0.6
133.10144	0.7
135.08038	0.5
137.09627	3.4
137.51407	0.4
143.08534	0.5
144.09010	0.3
145.10118	0.4
146.53200	0.3
147.08124	0.5
149.09633	0.4
150.05487	0.4
159.11754	0.4
163.11211	1.8
165.09113	0.8
170.11725	1.2
171.11653	0.4
173.09615	0.4
179.10730	0.8
185.56152	0.3
189.12718	0.5
207.13792	1.8
222.13445	0.4
245.18965	1.7
262.17969	0.4
263.20099	0.5
265.07370	0.4
273.18524	4.2
280.09668	1.6
290.17889	1.5
291.19522	12.5
292.98563	0.4
293.06760	1.6
308.09164	100.0
308.21967	2.9
316.65875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75989	0.4
55.02646	0.4
57.97680	0.5
63.71594	0.5
66.36195	0.4
79.07278	0.5
85.47657	0.5
101.92928	0.5
103.22462	0.5
136.07559	1.0
152.36330	0.5
179.13029	2.6
192.13866	0.7
205.58757	0.5
262.21664	3.7
266.11597	0.5
280.09677	0.9
280.32248	0.6
290.21143	47.4
293.07138	0.7
308.09155	49.7
308.22183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82412	1.5
51.94342	1.6
55.05494	3.4
57.03446	2.8
57.07068	2.9
59.46522	1.8
61.13863	1.6
65.72527	1.8
67.05499	15.1
69.07071	4.6
71.08640	45.4
79.05486	10.9
80.05846	2.2
81.03427	3.8
81.07054	14.8
82.07343	2.7
83.08618	7.7
91.05480	8.0
93.07030	12.5
95.04954	12.7
95.08607	18.5
97.06509	3.6
99.08098	43.8
105.07031	7.3
107.04966	11.6
107.08572	13.7
109.06574	2.1
109.10146	7.0
111.08060	2.3
117.06983	2.5
119.08601	4.1
121.06518	3.5
123.04391	2.9
123.08057	10.1
128.06241	2.1
131.08556	11.6
133.06512	2.6
133.10161	8.0
135.08066	2.7
139.07607	2.1
143.08669	2.3
145.10074	10.0
147.11681	3.9
149.09602	3.2
151.07562	2.3
151.11176	30.0
157.10139	3.9
171.11584	2.2
175.11172	18.4
177.09117	4.7
179.10713	14.6
185.69481	2.3
189.12631	2.1
193.12251	30.9
239.52071	2.3
245.18980	14.4
272.17279	2.1
273.18411	17.8
290.18158	10.1
290.21130	2.7
291.19516	44.5
308.09164	100.0
308.22156	12.8
308.26669	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	alpha-Lofoline
Peak:m/z	Relative Intensity
51.31561	0.4
54.53233	0.4
93.07046	0.7
95.08606	0.7
105.07052	0.5
107.08618	0.7
119.08561	0.5
122.06008	0.6
123.06740	0.8
131.08559	0.6
133.10114	1.0
135.11691	0.6
136.07571	0.8
145.10110	0.7
147.11726	1.0
161.09647	0.9
171.11667	0.7
178.12326	0.7
179.13046	1.9
192.13875	0.8
228.21141	0.5
262.21732	3.7
272.20102	1.8
273.18512	1.9
278.08008	0.8
280.09808	0.7
290.21140	49.1
291.19464	1.8
293.06885	0.9
308.09171	99.0
308.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2216
Annotation	alpha-Lofoline
Peak:m/z	Relative Intensity
52.73464	0.3
65.70742	0.5
66.90883	0.4
69.50481	0.4
81.07075	0.5
105.07162	0.4
107.48768	0.4
121.06467	0.5
136.07599	0.8
179.13034	2.1
192.13707	0.8
262.21671	3.8
280.09570	0.7
290.21127	47.0
291.19226	0.5
293.06891	0.6
308.06003	1.3
308.09137	38.6
308.22180	100.0
311.71127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67768	0.6
53.15328	0.8
53.56064	0.6
54.69536	0.7
55.01862	0.7
55.05527	9.9
55.69580	0.7
57.07067	4.9
66.01367	0.6
67.05508	12.9
69.07073	15.4
71.04992	1.0
71.08636	9.3
72.04475	0.7
77.96018	0.7
79.05489	4.4
81.06611	1.1
81.07060	21.7
83.08627	13.7
84.08122	0.9
86.06046	1.2
91.05460	1.5
93.07047	10.3
95.04955	1.5
95.07999	1.3
95.08600	23.0
97.06527	4.4
97.10175	8.4
99.08103	6.4
100.07623	1.8
100.40001	0.8
105.07013	3.5
107.08593	7.8
109.06509	6.4
109.10166	12.9
110.06860	1.0
111.08085	1.7
111.11674	1.2
114.09154	3.2
117.70473	1.0
119.08563	5.3
121.10129	5.7
123.08086	2.7
123.11682	4.5
125.09660	1.3
127.58809	0.7
128.10683	1.6
133.10120	5.0
135.11674	5.2
137.09608	1.6
137.13196	1.4
139.11208	0.8
147.11720	5.9
149.13275	3.9
151.11232	1.0
161.13255	1.5
163.14816	1.0
165.12730	13.5
175.14839	3.4
179.14261	1.3
184.16940	1.0
193.15895	3.0
193.19473	0.7
235.16858	1.8
273.25851	7.2
280.09601	3.3
286.76062	0.8
291.23178	28.4
291.26785	11.8
293.06775	1.6
308.09149	100.0
308.22766	4.3
308.25861	34.9
308.29465	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.07064	1.2
62.96358	0.5
65.50092	0.4
67.05501	2.5
69.07082	4.9
69.89180	0.4
71.08621	1.0
74.90292	0.5
79.05479	1.1
81.07043	2.1
82.06573	0.7
83.04471	0.5
83.04953	0.5
83.08603	3.3
86.06039	0.4
93.07021	1.1
95.08586	3.3
97.10143	1.2
98.06033	5.5
103.51558	0.5
109.10137	0.8
109.99016	0.5
111.05409	0.5
112.07611	0.9
121.10197	0.5
135.11702	0.7
142.08597	0.6
143.07056	0.5
245.18878	1.1
280.09641	0.7
291.19592	0.8
291.26904	0.9
307.95096	0.5
308.05765	0.7
308.09131	12.2
308.29443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.0
57.07073	5.0
60.64510	0.7
67.05512	11.9
67.52017	0.8
69.07067	15.1
70.06589	1.0
71.08630	3.9
72.28062	0.8
79.05489	3.1
81.07067	18.4
83.08624	10.7
85.10218	0.8
86.06062	1.2
86.22717	0.8
91.05450	1.3
92.21064	0.8
93.07035	4.9
95.08606	18.8
96.08937	1.0
97.06522	1.6
97.10163	8.3
99.08105	0.7
100.07590	1.4
105.07027	3.2
107.08600	5.4
109.10164	12.3
111.08073	1.7
111.11691	3.1
114.09169	3.5
119.08578	4.3
121.10107	5.0
123.08055	0.9
123.11698	5.5
128.10757	1.4
133.10101	3.8
135.11681	3.1
137.13254	1.8
147.11716	2.8
151.11229	0.9
151.14798	1.2
159.74229	0.8
161.13292	3.1
163.14861	1.4
175.14804	1.1
177.16328	1.1
273.25790	8.2
285.95123	0.9
291.23563	1.4
291.26819	16.7
293.06738	1.6
308.09158	100.0
308.22095	1.5
308.26343	2.1
308.29471	22.3
308.37582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66127	0.4
51.28034	0.4
53.54502	0.4
54.51134	0.4
55.05512	1.1
57.07077	0.7
67.05507	1.1
67.26930	0.5
67.34426	0.5
69.07071	1.3
72.85027	0.5
77.20656	0.5
81.07057	2.7
83.08611	1.5
92.20874	0.6
93.07017	0.7
95.08606	0.9
97.10171	0.6
98.06064	3.6
104.01922	0.5
107.08572	1.0
136.62038	0.6
278.08246	0.7
280.09521	1.3
291.26785	0.7
293.06873	2.4
308.09174	100.0
308.22299	2.4
308.29483	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50463	0.3
52.48052	0.4
55.05513	3.3
56.58448	0.4
57.07064	2.6
60.51901	0.4
66.97684	0.4
67.05499	2.1
68.58174	0.4
69.03406	0.7
69.07063	3.6
71.08614	0.7
79.05485	0.9
80.05006	0.6
81.07066	3.0
82.06570	2.2
83.08611	2.1
86.06052	0.6
93.06993	1.6
94.06549	0.5
95.08623	3.7
97.10167	1.0
98.06040	7.0
98.71931	0.5
105.07046	0.6
109.10167	1.0
110.06033	0.7
112.07571	0.9
121.10120	1.1
122.82201	0.6
128.10803	0.5
135.11671	0.6
188.84036	0.5
220.13985	0.7
245.49304	0.4
280.09769	1.0
300.64249	0.5
304.44916	0.5
308.09134	25.1
308.26199	5.2
308.29440	100.0
325.95389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.0
57.07073	5.0
60.64510	0.7
67.05512	11.9
67.52017	0.8
69.07067	15.1
70.06589	1.0
71.08630	3.9
72.28062	0.8
79.05489	3.1
81.07067	18.4
83.08624	10.7
85.10218	0.8
86.06062	1.2
86.22717	0.8
91.05450	1.3
92.21064	0.8
93.07035	4.9
95.08606	18.8
96.08937	1.0
97.06522	1.6
97.10163	8.3
99.08105	0.7
100.07590	1.4
105.07027	3.2
107.08600	5.4
109.10164	12.3
111.08073	1.7
111.11691	3.1
114.09169	3.5
119.08578	4.3
121.10107	5.0
123.08055	0.9
123.11698	5.5
128.10757	1.4
133.10101	3.8
135.11681	3.1
137.13254	1.8
147.11716	2.8
151.11229	0.9
151.14798	1.2
159.74229	0.8
161.13292	3.1
163.14861	1.4
175.14804	1.1
177.16328	1.1
273.25790	8.2
285.95123	0.9
291.23563	1.4
291.26819	16.7
293.06738	1.6
308.09158	100.0
308.22095	1.5
308.26343	2.1
308.29471	22.3
308.37582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52538	1.0
52.63678	1.0
54.20473	1.2
54.67271	1.1
55.05519	18.2
57.07078	8.2
63.83945	1.1
67.05507	19.1
69.07070	36.0
70.06604	1.3
71.08640	3.1
72.04523	35.6
72.08144	7.1
75.10023	1.3
79.05492	5.2
81.07054	29.1
83.04984	1.6
83.08612	24.2
86.06091	1.6
91.05438	2.5
93.07052	8.0
95.08610	29.5
97.06517	5.2
97.10164	17.3
98.06060	5.0
100.07614	5.4
105.07028	3.1
107.08584	7.0
109.10162	19.5
111.08083	2.7
111.11708	5.4
114.09168	9.3
119.08541	4.9
121.10146	9.7
123.11694	12.5
125.09617	2.0
128.10698	7.9
133.10156	5.6
135.11676	5.7
137.13280	2.2
139.11201	1.4
140.10742	1.8
142.12267	2.0
147.11668	5.0
151.14812	2.0
156.13837	5.1
161.13208	2.2
163.14877	1.8
175.14873	1.8
177.16273	1.7
184.16956	2.7
191.18004	1.7
198.88954	1.3
226.21855	1.9
273.25784	11.6
280.09708	3.0
291.26831	28.8
308.09167	41.7
308.29465	100.0
315.91675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76902	1.1
54.12329	1.1
55.05513	13.1
57.07062	10.3
57.07301	1.2
67.05511	16.1
69.06757	1.5
69.07066	29.8
70.06583	1.9
71.08619	3.1
75.00989	1.2
79.05470	1.9
81.07059	29.4
81.44113	1.3
83.08624	19.3
85.10185	2.1
86.06017	1.9
91.05504	1.8
91.39574	1.3
93.07021	7.4
95.03707	1.7
95.08605	33.2
97.06510	3.1
97.10180	12.0
100.07599	2.2
105.07033	3.1
107.08579	6.7
109.10139	15.5
111.08080	1.8
111.11683	2.7
114.09150	3.3
119.08566	3.3
121.10114	9.0
123.11661	7.1
123.89153	1.6
128.10683	2.1
133.10107	6.5
135.11649	6.6
137.13263	5.9
147.11668	2.8
149.13313	2.5
155.19836	1.5
161.13260	3.7
175.14804	1.4
188.00148	1.7
193.19499	2.1
226.21683	1.8
273.25827	10.5
291.26822	23.8
308.09128	100.0
308.29440	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	42.9
57.07082	21.6
67.05175	3.9
67.05505	51.3
69.07072	77.2
70.25566	2.2
71.08628	14.4
79.05499	13.9
81.07059	72.6
83.08623	59.4
84.08134	4.8
85.10174	10.2
86.06087	5.5
91.05482	12.4
93.07037	22.9
95.08601	89.3
97.06525	5.4
97.10180	44.5
100.07599	12.1
105.07042	15.6
107.08617	18.7
109.10147	50.6
111.08069	5.7
111.11694	12.0
114.09168	10.7
119.08577	11.1
121.10115	18.5
123.08040	3.0
123.11697	21.7
125.09632	4.5
128.10733	6.0
133.10149	25.7
133.81810	2.9
135.11702	21.5
137.09660	4.6
137.13268	6.3
138.53020	2.9
139.11122	4.2
142.12296	3.6
143.60561	2.3
147.11694	16.9
149.13258	6.0
151.11238	3.7
151.14842	3.1
161.13298	11.1
163.14786	4.9
165.12752	4.8
165.16296	4.3
166.73364	2.7
169.04555	3.2
170.15390	3.5
175.14777	3.7
177.16504	3.1
180.44003	2.7
193.19473	2.9
198.18620	5.0
207.21030	3.0
212.20078	3.2
226.21605	2.9
255.92902	2.9
273.25711	40.6
290.29007	2.7
291.26816	72.3
308.09122	61.0
308.29468	100.0
313.01059	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	10.1
57.07075	9.8
67.05508	14.2
69.07063	26.4
71.08648	2.6
79.05490	2.6
81.07059	36.3
83.08622	21.5
91.05471	4.3
93.07040	10.4
95.08598	40.2
97.06537	3.3
97.10169	14.0
100.07594	3.5
107.08624	8.3
109.10165	18.7
114.09173	4.0
119.08586	4.0
121.10175	9.5
123.11707	9.2
128.10794	3.8
133.10159	8.2
135.11702	3.6
147.11659	4.9
152.53984	2.2
161.13229	3.3
165.16463	2.3
178.68465	2.0
221.87062	2.3
273.25772	13.0
291.26767	24.3
308.09192	100.0
308.12805	3.4
308.29483	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.05521	31.7
56.03103	2.1
57.07070	13.0
59.03848	2.2
67.05506	45.1
69.07063	53.1
71.08604	5.8
77.83268	3.0
79.05495	5.5
81.07057	63.4
83.08619	41.6
84.23505	2.3
85.04947	2.5
85.10198	2.8
86.06059	5.8
91.05448	9.4
93.07015	18.1
95.08606	77.4
97.06541	9.7
97.10177	36.4
100.07610	11.8
105.07038	9.9
107.08573	13.4
109.10159	41.8
111.08134	3.3
111.11711	4.5
114.09182	6.1
119.08569	12.4
121.10125	23.1
123.08054	4.2
123.11677	18.4
125.09647	3.0
126.09219	3.1
128.10706	5.5
133.10153	13.6
135.11676	13.8
137.09555	2.9
137.13240	4.9
147.11671	15.0
147.25665	2.7
149.13219	3.7
151.11314	3.0
151.14845	4.5
161.13228	10.4
175.14806	3.2
191.17918	4.5
193.19489	3.7
202.38728	2.8
203.17972	2.9
209.18922	3.1
210.58562	2.4
218.53403	3.2
220.07181	2.9
273.25818	31.0
291.26840	44.9
308.09152	100.0
308.12668	3.8
308.29480	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97621	1.9
55.05513	36.5
57.07082	22.8
59.24298	1.6
61.89544	1.5
61.96464	1.9
67.05505	48.9
68.43382	2.2
69.06702	2.9
69.07070	78.5
71.08626	13.5
78.00889	2.2
79.05485	13.5
81.07063	92.6
83.04969	4.2
83.08622	60.3
84.08149	3.5
85.10176	8.0
86.06042	7.1
91.05460	12.5
93.07037	22.9
95.07999	3.2
95.08604	96.5
97.06537	13.6
97.10167	48.6
99.08113	2.3
100.07620	17.0
105.07009	11.1
107.08570	17.2
109.10154	58.0
111.08066	9.2
111.11694	13.5
114.09171	14.9
119.08578	13.3
121.10137	18.8
123.08106	2.1
123.11703	23.0
125.09622	4.1
126.09132	2.3
128.10687	7.9
133.10129	23.5
135.11685	19.2
137.09599	3.7
137.13229	9.4
140.10707	2.7
142.12311	3.3
147.11708	14.0
149.13254	4.0
151.11252	3.9
151.14827	4.0
154.12334	2.0
159.82156	2.1
161.13251	10.5
163.14751	4.6
165.16273	2.7
167.29353	2.2
170.15379	2.5
175.14839	7.3
177.16325	3.1
179.17853	2.8
189.16400	7.0
191.17958	3.3
193.19475	3.6
195.20995	2.0
196.16983	2.0
207.21075	7.7
212.12320	2.0
217.19449	2.0
273.25742	28.8
291.26797	69.3
308.09274	10.2
308.29456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97009	2.0
55.05515	21.5
57.07072	14.7
67.05505	35.1
69.07066	42.4
71.08641	5.3
78.83245	2.0
79.05527	8.8
81.07063	60.7
83.08627	36.5
86.06077	2.9
90.61323	2.5
91.05458	3.8
93.07050	11.8
95.08609	47.3
97.06551	4.1
97.10166	28.7
99.08085	3.0
100.07598	5.3
105.07011	5.6
107.08590	14.5
109.06565	3.6
109.10170	27.4
111.08089	3.3
111.11732	4.5
114.09161	5.1
119.08578	9.5
121.10129	16.0
122.91371	2.3
123.11691	16.2
128.10701	2.8
133.10133	15.7
135.11707	13.4
137.13263	3.0
147.11685	10.2
149.13301	3.6
153.39368	2.4
156.13974	2.8
156.94400	2.4
161.13251	6.0
174.03596	2.7
175.14749	2.6
198.18489	3.0
226.21619	3.0
226.97084	2.5
231.20972	2.8
232.59811	2.7
273.25726	21.6
280.09457	2.5
291.19489	2.8
291.26813	48.3
308.09140	100.0
308.26309	4.4
308.29477	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	12.3
62.25191	2.0
69.03414	3.3
80.05048	2.4
81.03415	25.7
82.06580	4.7
83.04983	2.5
84.04505	18.0
84.08147	100.0
85.02895	4.4
86.06047	3.8
86.09704	11.1
87.25148	1.8
95.04965	2.4
96.04498	4.9
97.02888	31.0
98.97589	21.7
101.43512	2.0
110.06065	4.8
111.04427	9.1
114.05537	5.0
116.98592	17.2
124.99117	10.5
126.05538	4.3
127.03925	3.5
128.07088	51.2
130.04996	70.8
130.08635	33.9
131.00116	2.4
134.99638	4.1
142.04980	9.2
143.00133	34.5
144.06596	3.2
147.07648	3.6
147.11247	4.4
152.98502	3.8
157.06090	5.2
159.07628	2.5
160.81834	2.3
161.01215	16.9
162.05487	3.7
163.90558	2.5
164.07007	2.6
164.10698	4.1
168.10179	3.1
169.01712	3.5
170.99603	19.7
185.01198	22.8
186.99261	4.0
187.02719	3.6
189.00673	26.6
192.06575	9.2
194.08162	3.1
203.02301	20.3
208.06050	43.0
209.09201	5.3
212.12830	4.4
213.00716	13.4
215.52838	2.3
225.08786	32.6
225.12325	36.8
226.07027	2.8
231.01802	19.9
238.07062	8.1
249.02756	29.7
255.09769	2.6
256.08026	4.3
256.11969	2.2
263.02866	14.9
267.03821	9.5
273.03073	3.4
273.10809	53.1
273.14392	25.8
274.12735	3.4
278.90866	2.3
285.04855	4.4
291.03845	52.7
291.11865	34.1
291.15457	23.2
309.04956	91.9
309.12900	19.9
309.16547	58.4
327.05936	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37867	5.1
69.03440	9.5
81.03409	25.3
84.04520	17.9
84.08157	52.3
85.02908	23.8
97.02883	44.0
102.05552	8.3
113.23483	5.2
114.05532	11.7
117.70068	6.5
126.05560	7.5
127.03954	12.0
128.07097	12.4
130.04999	84.7
130.08626	21.1
142.05022	10.5
147.07645	5.9
164.10718	7.1
177.06586	11.0
187.07564	7.0
199.78368	5.2
204.10101	8.4
208.06010	46.1
225.08713	26.7
225.12303	22.4
236.14838	9.5
237.08679	7.3
273.10776	60.4
273.14139	10.0
291.11884	34.1
291.15219	10.0
309.05899	100.0
309.09171	12.1
309.13959	28.1
309.17355	6.7
309.21948	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0755
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
55.05508	3.2
61.50146	1.3
67.05518	3.1
69.07065	6.5
71.08617	1.4
73.38919	1.4
76.39056	1.7
78.62628	1.4
81.07082	11.3
81.32895	1.3
82.07400	1.7
83.08614	2.9
84.13480	1.4
95.08575	3.2
96.08915	1.7
98.96600	1.5
109.10171	3.3
111.47959	1.4
119.08609	1.7
121.10187	2.2
125.53091	1.7
131.04974	2.0
147.04411	3.0
187.03905	34.5
199.03859	10.8
200.04608	2.0
207.08029	2.3
215.03400	74.7
216.04230	10.6
235.07539	6.9
239.07042	3.3
245.05872	2.8
253.08496	3.2
263.07028	51.5
273.05472	2.7
274.06256	2.6
274.26083	1.9
281.08231	3.1
290.05795	2.5
291.06522	43.7
292.27151	10.4
309.07251	100.0
309.24213	1.7
309.29800	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56723	0.3
57.32542	0.3
69.03443	3.2
71.04988	0.3
73.02925	0.4
73.80796	0.3
81.03023	0.3
81.03423	3.2
85.02911	2.1
91.05492	4.4
97.02885	1.5
99.04440	0.5
109.02887	1.3
113.83868	0.3
119.04948	14.8
127.03941	1.3
140.90970	0.3
147.04414	100.0
165.05482	0.6
193.71867	0.4
284.90933	0.5
291.08600	3.5
291.73349	0.4
294.07730	0.5
309.09607	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56166	0.3
53.03951	0.4
55.01884	0.6
65.03930	0.4
69.03435	3.6
71.04984	0.4
73.02901	0.3
81.03420	7.1
85.02882	2.4
86.99090	0.3
91.05479	2.5
97.02886	3.1
99.04458	4.4
100.10058	0.3
103.67474	0.4
105.07030	2.1
109.02879	3.6
114.05552	0.4
117.83019	0.3
119.04933	9.5
121.06493	0.3
121.61479	0.3
122.09618	0.4
127.03902	5.6
129.55978	0.3
137.61702	0.4
142.04973	0.4
147.04404	100.0
150.30411	0.3
165.05482	3.4
177.05444	0.7
219.06445	0.4
234.11252	0.5
291.08643	4.1
309.09598	5.2
309.14825	0.5
309.17935	0.5
313.27191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	0.6
55.05519	0.7
55.90742	0.4
56.03683	0.4
57.03432	0.5
58.32861	0.4
65.03958	0.8
67.05505	1.8
69.03434	3.9
69.07073	0.7
74.78444	0.4
81.03423	7.3
81.07056	0.8
81.65558	0.5
83.08591	0.6
85.02898	3.5
89.03910	0.4
91.05487	4.1
93.07066	0.4
97.02895	30.4
98.73095	0.4
99.04459	0.9
107.04976	0.6
109.02888	3.6
109.06526	0.9
110.71131	0.5
115.87788	0.5
117.03386	2.4
119.04155	0.8
119.04947	11.8
119.08614	0.5
121.06548	0.6
121.10134	0.5
127.03922	1.1
132.22787	0.5
145.02861	17.0
147.04410	100.0
149.02425	0.7
149.06015	0.7
161.09566	0.6
165.05435	3.5
167.03378	1.1
177.05461	28.8
189.09048	0.7
245.06842	0.5
249.09151	0.8
263.07874	0.9
266.09238	0.6
277.08667	2.9
281.11987	0.6
291.08560	9.3
291.19437	1.8
293.09885	3.2
294.11044	1.6
309.09552	4.7
309.13107	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Moracin D
Peak:m/z	Relative Intensity
55.05503	0.6
57.03439	0.9
59.05003	22.2
59.65125	0.6
64.68582	0.8
67.05505	1.1
71.04981	0.8
72.06583	0.6
74.47952	0.8
81.07063	4.3
82.13441	0.7
85.02894	4.6
87.27076	0.6
91.05457	0.8
95.05003	1.1
95.08608	0.9
97.02888	1.4
107.04964	0.8
107.08622	1.0
109.06499	0.9
117.09117	3.8
128.06212	1.3
129.06999	32.6
145.02872	6.8
145.06491	1.8
175.13362	1.7
177.05457	13.2
178.07738	1.5
189.06956	1.1
191.08551	1.3
193.10164	3.9
202.07761	1.5
203.08574	9.6
205.06471	1.0
206.07272	8.5
207.06482	0.9
217.06458	3.2
218.07240	1.9
219.08060	3.8
220.08859	3.6
221.09610	20.6
223.07495	0.9
231.07935	5.7
233.05821	1.0
234.06792	15.3
235.07574	4.1
245.05894	1.0
247.07491	3.2
248.08344	6.4
249.09097	27.1
250.09854	4.5
251.06918	7.0
262.06284	3.5
263.06857	1.0
265.08533	1.1
266.09290	7.9
276.07837	1.8
277.08533	16.9
278.09335	3.1
279.06570	5.3
281.11731	82.6
291.19595	3.8
294.08838	15.3
309.11447	100.0
309.20682	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	7.3
72.55118	1.6
75.53530	1.7
76.87170	1.7
80.18438	1.7
81.03426	25.4
83.10336	1.7
84.04507	28.2
84.08160	12.7
85.02908	13.0
86.06053	4.2
87.05589	2.8
96.04492	6.5
97.02892	57.2
98.06087	2.5
99.04490	2.2
101.07145	4.1
102.05557	4.1
108.04475	2.3
109.02872	8.5
111.04456	7.3
114.05520	10.3
121.01733	1.8
122.06017	2.2
126.05531	4.3
127.03947	8.5
128.07086	9.4
129.05513	2.1
130.05000	100.0
134.05997	2.7
138.05501	1.6
142.04979	17.1
144.06552	3.7
147.07681	8.6
148.07573	3.9
150.05528	2.1
152.03374	1.9
157.06079	6.8
159.07637	2.8
161.02908	2.4
162.05476	11.1
164.07068	4.1
174.05348	1.9
176.07036	3.4
179.08177	3.8
180.06493	16.8
192.06577	15.8
193.09668	2.6
194.08102	8.1
196.06105	1.8
208.06026	58.5
209.09250	8.7
210.07590	8.9
211.06995	2.3
220.05995	3.6
222.07164	1.8
225.08705	51.3
225.12263	3.9
226.07117	4.1
237.08760	2.6
238.07080	15.0
255.09711	3.3
256.08224	4.0
270.01703	2.0
273.07697	4.1
273.10797	86.5
273.14066	3.9
291.11865	63.1
291.15204	4.2
307.82504	2.1
309.05997	3.7
309.09415	34.1
309.12894	32.9
309.16388	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06493	1.6
54.58711	1.7
54.76340	1.5
57.03845	1.4
69.03429	3.3
75.97049	1.8
76.97413	1.6
81.03417	24.8
82.06582	3.9
82.16180	2.0
83.04970	2.1
84.04505	18.3
84.08144	44.7
85.02905	9.9
86.09716	2.9
94.11033	1.6
95.04929	2.3
95.81383	1.7
96.04475	9.8
97.02882	37.3
98.97582	7.1
99.04469	2.0
99.97860	1.8
102.05550	17.7
108.04466	1.9
109.02868	2.0
110.06005	4.3
111.04415	4.3
114.05530	8.2
116.98592	2.9
122.02369	4.4
122.05988	2.5
126.05492	2.3
127.03897	7.7
128.07086	17.2
130.05000	61.3
130.08626	15.8
138.05524	2.0
139.03882	2.1
142.04985	9.0
142.08646	3.4
143.00156	2.9
144.06577	8.1
147.07675	9.5
148.03940	2.7
148.07564	2.7
150.05469	3.1
154.04991	3.2
158.99638	1.6
159.07632	7.4
161.01237	2.9
162.05525	7.0
164.07002	2.8
165.06641	3.2
170.99603	6.2
172.05946	2.0
176.07001	1.9
178.05063	2.9
180.06567	32.6
182.08154	2.8
185.01266	2.0
189.00652	8.0
192.06543	7.3
194.11745	2.2
195.07643	4.4
196.05898	3.0
208.06052	36.4
209.09158	2.5
210.07593	12.3
220.05956	3.6
225.08705	58.3
225.12210	16.7
225.14491	1.9
226.07141	2.5
228.08574	3.7
231.01659	3.1
237.08649	2.9
238.07135	7.9
249.02763	8.3
255.09692	3.0
256.08038	6.9
273.07806	3.5
273.10791	100.0
273.14078	7.8
291.03864	11.1
291.11862	43.2
291.15439	13.3
309.05444	20.5
309.09378	11.2
309.12933	27.4
309.16498	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06493	1.6
54.58711	1.7
54.76340	1.5
57.03845	1.4
69.03429	3.3
75.97049	1.8
76.97413	1.6
81.03417	24.8
82.06582	3.9
82.16180	2.0
83.04970	2.1
84.04505	18.3
84.08144	44.7
85.02905	9.9
86.09716	2.9
94.11033	1.6
95.04929	2.3
95.81383	1.7
96.04475	9.8
97.02882	37.3
98.97582	7.1
99.04469	2.0
99.97860	1.8
102.05550	17.7
108.04466	1.9
109.02868	2.0
110.06005	4.3
111.04415	4.3
114.05530	8.2
116.98592	2.9
122.02369	4.4
122.05988	2.5
126.05492	2.3
127.03897	7.7
128.07086	17.2
130.05000	61.3
130.08626	15.8
138.05524	2.0
139.03882	2.1
142.04985	9.0
142.08646	3.4
143.00156	2.9
144.06577	8.1
147.07675	9.5
148.03940	2.7
148.07564	2.7
150.05469	3.1
154.04991	3.2
158.99638	1.6
159.07632	7.4
161.01237	2.9
162.05525	7.0
164.07002	2.8
165.06641	3.2
170.99603	6.2
172.05946	2.0
176.07001	1.9
178.05063	2.9
180.06567	32.6
182.08154	2.8
185.01266	2.0
189.00652	8.0
192.06543	7.3
194.11745	2.2
195.07643	4.4
196.05898	3.0
208.06052	36.4
209.09158	2.5
210.07593	12.3
220.05956	3.6
225.08705	58.3
225.12210	16.7
225.14491	1.9
226.07141	2.5
228.08574	3.7
231.01659	3.1
237.08649	2.9
238.07135	7.9
249.02763	8.3
255.09692	3.0
256.08038	6.9
273.07806	3.5
273.10791	100.0
273.14078	7.8
291.03864	11.1
291.11862	43.2
291.15439	13.3
309.05444	20.5
309.09378	11.2
309.12933	27.4
309.16498	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1331
Annotation	5'-Hydroxyasperentin
Peak:m/z	Relative Intensity
50.43758	0.7
53.19293	0.7
55.05507	1.3
57.07106	0.8
67.05508	4.9
69.07066	0.9
69.70147	0.8
79.05486	2.3
81.03439	2.2
81.07074	4.2
83.04973	1.8
91.05485	12.1
93.07051	3.8
95.04965	1.4
95.08620	2.0
97.10103	0.9
99.04444	7.4
99.08082	1.5
105.07063	1.1
107.08595	3.6
109.06515	1.8
111.57463	0.8
119.04945	28.4
119.08601	1.3
121.06525	1.0
121.10126	1.6
123.08067	1.7
131.08592	1.7
132.02063	1.0
133.06528	0.9
133.10129	1.3
137.09624	1.1
147.03304	1.8
147.04408	38.9
151.07542	1.1
157.03955	4.4
157.10168	1.0
159.11636	1.0
161.09593	1.1
174.09508	1.2
175.03905	68.3
179.07024	4.8
185.65826	0.9
195.37463	0.9
203.18405	0.9
204.00838	0.9
207.06525	100.0
211.09653	2.3
225.07539	1.0
249.09181	1.2
273.18573	3.8
291.19528	5.9
309.09402	37.3
309.20355	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01687	1.2
75.80309	1.1
75.99905	1.0
81.07082	1.0
85.02900	1.6
91.05482	11.1
119.04945	27.8
147.04411	32.1
153.73972	1.1
157.03960	1.9
168.50427	1.1
175.03902	79.6
177.05486	2.0
178.87524	1.0
179.07094	1.4
192.04147	10.4
207.06519	100.0
220.23125	1.1
225.07564	8.1
245.11714	1.7
249.09071	1.4
277.08646	1.7
291.12167	6.9
293.10037	1.5
309.09534	29.2
309.13129	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54626	0.4
66.43150	0.6
67.05487	0.6
69.22997	0.6
85.02862	0.7
85.06552	0.7
88.73347	0.5
91.05493	7.8
97.02840	0.7
104.83362	0.5
119.04949	29.0
133.02892	0.7
135.04485	0.6
144.88223	0.6
145.02829	1.1
147.04416	38.9
147.05591	1.4
149.81793	0.5
154.17249	0.5
157.03935	3.1
167.06996	0.6
175.03909	86.6
177.05409	3.0
179.06967	3.0
192.04124	2.2
207.06532	100.0
225.07472	1.1
234.06622	0.9
249.08983	2.2
277.08524	3.0
281.08850	1.1
281.11713	1.2
291.12302	10.8
294.08774	0.7
309.09399	29.4
309.13107	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.35984	2.9
53.96820	3.1
55.01878	7.7
55.05509	13.4
57.03438	22.8
57.07096	4.1
67.05508	50.0
69.03428	8.5
69.07055	15.1
71.04993	7.0
79.05491	32.7
81.03435	5.0
81.07062	52.8
83.04995	6.5
83.08624	8.5
85.06550	19.4
91.05485	16.7
93.07036	34.1
95.04967	28.8
95.08606	32.9
96.09069	3.6
96.28101	3.9
97.06514	16.6
97.10183	4.7
99.08080	6.2
100.21793	3.4
105.07030	17.8
107.04947	8.1
107.08606	23.0
109.06528	34.9
109.10162	15.8
111.04463	6.6
111.08069	5.7
113.06008	84.7
117.07006	6.6
119.08582	14.4
121.06483	7.8
121.10137	15.3
123.08083	21.1
125.09647	4.2
127.07553	18.3
131.08577	15.3
133.10185	12.5
135.08051	20.7
135.11707	7.0
137.05942	4.1
137.09599	4.8
143.08504	4.2
145.10135	19.5
147.04311	5.3
147.08064	5.5
147.11714	5.9
149.09608	14.6
155.08562	4.4
159.11806	5.5
161.09595	6.1
165.09087	5.9
169.10065	4.0
171.11737	8.3
178.52654	3.7
233.69356	3.4
245.04539	4.5
251.16469	4.0
263.20062	4.5
273.03979	4.3
273.18488	29.2
291.19531	100.0
309.09656	7.4
309.20706	40.1
325.15643	3.6
330.94995	4.0
334.45020	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.84441	2.8
55.01866	5.6
55.05515	16.5
57.03225	2.4
57.03442	39.1
67.05515	36.9
69.03436	16.9
69.07074	6.8
71.08612	3.8
74.68762	2.7
79.05496	40.6
79.26563	2.6
81.07063	52.4
83.04974	6.7
83.08602	12.0
84.94608	2.8
85.06556	25.0
89.41685	3.3
91.05473	33.3
93.07043	52.1
95.04995	16.6
95.08609	42.3
97.06527	7.2
97.10182	4.9
99.04460	34.0
99.08055	4.7
101.39460	2.8
105.07017	27.1
105.13354	2.7
107.04958	74.2
107.08591	26.4
108.51745	2.9
109.06516	22.8
109.10161	18.7
111.04440	13.8
111.08098	17.2
113.06003	44.3
117.07018	15.6
119.08569	21.6
121.03609	3.0
121.10149	22.2
123.08080	6.0
125.09658	3.2
129.06984	4.4
131.08566	26.0
133.06509	6.8
133.10121	17.5
135.08046	18.2
135.11714	11.6
137.09647	4.9
139.31363	3.8
143.08600	6.4
145.10126	14.5
147.08046	11.7
147.11682	5.1
149.09604	13.8
151.07567	4.5
153.03918	3.1
157.10089	5.1
161.09645	6.3
163.11208	6.8
165.09103	4.7
171.11635	6.3
173.13263	6.2
174.13969	4.1
187.14816	6.0
199.14888	4.1
217.15851	12.5
219.13823	3.9
235.16866	18.8
245.06908	5.3
249.14856	4.4
255.17332	4.5
263.20026	4.5
273.18524	50.0
291.19540	100.0
309.09509	47.2
309.20978	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01861	6.4
55.05505	21.4
55.83779	3.7
57.03439	27.1
58.73007	3.4
59.94864	4.1
64.33425	3.4
67.05513	36.3
69.03430	7.2
69.07066	17.9
69.89892	4.0
71.04989	6.5
75.83852	4.8
78.06152	3.9
79.05496	49.0
81.07068	70.6
83.04999	8.1
83.08617	8.8
85.06558	8.0
91.05482	32.6
92.21003	5.5
93.07049	57.1
95.04999	17.0
95.08607	26.9
97.06526	19.9
97.10182	26.4
99.08091	6.2
100.38262	4.0
105.07029	28.8
107.04926	9.6
107.08603	30.4
109.06503	44.5
109.10156	7.2
113.06001	8.7
117.06985	16.2
119.08562	43.3
121.06519	7.5
121.10143	25.6
123.08043	30.7
125.09639	10.6
131.08571	24.8
133.06508	8.0
133.10161	31.2
135.08128	8.4
135.11681	7.7
137.09628	10.3
143.08604	7.6
145.10109	19.4
147.08069	21.5
147.11671	7.8
149.09656	32.6
157.10205	13.7
159.08032	5.2
159.11703	7.4
161.09627	23.7
165.09126	6.4
171.11594	6.9
175.11137	6.2
199.14888	7.8
201.12686	5.3
217.15868	7.9
219.13780	9.0
233.12573	4.3
245.18932	10.3
273.18539	100.0
291.19547	93.5
309.09622	35.0
309.20535	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01882	5.7
55.05516	15.1
56.38668	1.8
57.03446	4.8
67.05514	21.7
69.07056	5.4
71.04998	3.6
79.05101	3.1
79.05495	28.4
81.07065	41.3
83.04980	16.4
83.08609	5.2
85.02908	2.9
91.05480	13.5
93.07041	23.1
95.04973	12.0
95.08610	15.4
97.06537	3.3
97.10156	5.5
99.04473	3.1
105.07035	10.9
107.04947	4.9
107.08594	15.2
109.06492	14.4
109.10156	4.8
111.04445	40.3
111.08083	12.1
113.06042	2.8
117.07010	11.1
119.08560	23.3
121.06533	3.8
121.10110	20.3
123.08078	3.7
125.09672	3.4
129.06996	4.4
131.08557	13.1
133.10139	3.6
135.08060	11.6
135.11696	10.2
137.09622	3.4
143.08522	3.9
145.10118	13.5
147.08046	17.8
149.09647	4.1
153.12772	9.8
157.10184	4.5
159.08112	2.6
159.11748	2.8
161.09644	4.8
163.11160	11.7
165.09126	2.7
173.09659	3.6
181.12234	14.7
191.10674	10.6
201.96806	2.4
209.11855	2.4
218.28233	2.6
227.12814	5.1
273.18439	23.2
273.32886	3.0
291.19489	100.0
309.09509	15.3
309.20526	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.05512	12.0
57.03442	23.5
67.05502	22.8
69.07075	11.9
71.04975	3.5
73.35535	2.4
75.76007	2.4
75.83613	2.1
78.10880	2.1
79.05495	17.5
81.03432	2.4
81.07064	36.3
83.04993	3.8
83.08630	10.6
85.06552	4.5
91.05477	12.0
93.07070	18.0
95.04962	11.8
95.08618	19.0
97.06526	12.1
97.10145	16.5
99.08114	2.9
101.98253	2.8
105.07021	22.0
107.04974	15.6
107.08593	22.2
109.06508	25.1
109.10139	9.9
111.08058	4.3
113.06004	15.2
117.07019	12.5
119.08579	27.2
121.06512	5.5
121.10168	11.6
123.08067	15.5
125.09641	10.3
127.07533	6.1
129.07005	3.4
131.08559	10.9
132.35956	2.3
133.10104	10.6
134.16994	2.3
135.08025	13.2
137.09526	3.4
143.08484	3.3
145.10135	11.6
147.08084	6.0
147.11623	3.9
149.09575	3.6
157.10162	3.0
159.08029	2.5
159.11771	3.3
161.09608	4.3
163.11191	3.9
171.11717	5.0
175.11124	5.1
175.41437	2.7
189.11169	4.6
194.16574	2.4
199.14781	3.4
217.15924	4.7
219.13773	4.1
249.14845	3.5
255.17255	3.8
273.18588	26.6
291.19513	100.0
297.76956	2.6
309.09494	12.2
309.20587	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.28669	5.3
53.75439	4.7
54.52866	4.6
55.01869	6.2
55.05514	25.8
64.57001	5.7
66.05840	5.2
67.05499	42.5
67.16568	5.9
69.07060	30.7
71.08643	11.8
71.94399	5.7
79.05485	25.1
81.03423	8.8
81.07059	100.0
82.71944	6.2
83.04984	7.0
83.08618	40.1
91.05473	25.9
93.07028	47.4
95.04970	13.5
95.08604	45.3
97.06507	7.4
97.10173	47.7
98.98456	11.9
99.08102	8.4
103.41721	5.8
105.07027	33.5
107.04949	6.4
107.08578	42.7
109.06497	26.4
109.10138	14.6
111.04432	25.8
111.08076	7.9
119.08571	37.0
121.10107	29.3
123.08058	15.1
125.09653	15.6
129.07013	6.0
135.08054	7.7
135.11731	9.7
137.09602	11.0
145.10091	10.4
163.11185	10.7
166.12274	13.7
189.11241	25.3
207.19852	6.1
227.12709	11.3
233.52538	6.3
273.18488	24.3
291.19568	83.0
292.22653	33.4
309.09531	61.4
309.20587	44.4
309.24393	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97736	0.7
55.01875	1.3
55.05518	1.9
57.07087	1.4
67.05504	4.9
69.07066	5.3
71.08614	1.0
79.05489	1.6
81.07066	13.5
83.04967	0.8
83.08610	1.9
85.10204	0.8
93.07030	3.9
94.38963	0.7
95.08606	9.5
97.10178	1.2
105.07025	3.0
107.08575	3.2
109.06527	4.8
109.10154	4.1
109.30849	0.8
111.04446	13.4
111.07999	0.9
119.08617	1.8
121.10174	3.2
123.08054	1.1
123.11643	0.9
125.05979	1.9
130.51299	0.7
131.08612	0.9
132.15741	0.8
133.10114	3.9
135.08041	1.3
135.11720	3.5
137.05980	100.0
137.13264	1.9
143.08636	0.9
145.10202	1.0
147.11693	4.1
149.09607	3.2
149.13200	0.9
151.07529	1.8
161.09618	5.3
161.13254	3.1
163.11201	3.0
163.14850	0.8
165.09087	0.8
165.12694	0.8
171.11665	0.9
175.11159	3.2
179.10637	0.9
203.17978	3.8
213.16385	1.7
221.18956	1.4
231.17451	4.5
249.18465	5.5
274.26132	0.8
277.17981	62.2
291.23087	1.4
292.27039	1.3
295.19095	10.0
309.09500	30.0
309.14874	0.9
309.24243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2209
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
54.62635	3.1
55.05509	16.7
57.03453	5.0
57.07067	5.2
61.98645	3.1
67.05505	26.7
69.07062	23.0
71.08619	4.0
79.05475	29.0
81.03419	3.4
81.07056	64.7
83.04962	6.1
83.08616	5.7
89.07721	3.4
91.05469	23.7
93.07050	63.5
95.04977	51.3
95.08590	41.7
97.06541	25.5
104.77260	3.2
105.07040	64.0
107.08598	39.1
109.06513	16.3
109.10136	30.3
117.07021	9.1
119.08570	62.3
121.06490	18.5
121.10139	100.0
123.08086	5.6
130.07745	4.4
131.08569	45.7
133.10106	40.4
135.08044	6.9
135.11687	6.4
142.07742	4.5
143.08511	25.8
145.10104	48.8
147.11682	13.4
147.97617	3.8
149.09599	4.5
155.08527	8.2
155.72218	3.4
156.09334	8.1
157.10120	34.7
159.11681	48.9
161.09612	8.4
161.13202	3.8
164.15671	4.1
169.10130	21.8
171.11691	20.3
173.13229	18.6
175.14795	3.9
181.10057	4.4
183.11732	17.1
184.12512	4.0
185.13260	5.0
187.11125	8.1
187.14839	25.5
197.13255	19.0
199.14819	8.1
207.11688	4.9
211.14799	5.6
277.21591	4.6
281.22531	4.6
291.21323	4.6
309.09433	8.6
309.22101	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.52125	2.9
53.54131	2.4
55.05516	18.7
57.03432	4.5
57.07061	4.6
63.00072	2.7
65.97812	2.6
66.33801	3.3
67.05500	38.8
68.47092	2.8
69.07075	23.2
71.08633	70.4
79.05492	27.9
80.74304	2.9
81.03429	4.7
81.07058	43.6
83.04983	5.5
83.08616	18.4
84.77499	2.8
85.06478	3.6
91.05479	17.4
93.07043	49.6
95.04993	13.6
95.08089	3.6
95.08586	27.5
97.06498	6.1
97.10178	6.8
99.08088	48.7
105.07058	15.8
107.04949	3.3
107.08578	26.6
109.06538	4.9
109.10130	24.0
116.96069	2.9
117.06959	4.4
119.08585	6.9
121.10143	18.1
127.11145	3.8
129.06999	3.4
133.10127	15.6
135.11664	26.0
144.09459	3.9
145.10123	4.1
147.11633	13.9
149.13239	7.9
151.11171	39.0
161.13235	19.5
163.11136	12.8
165.12692	3.6
167.10609	5.8
171.11713	3.9
179.14293	36.8
235.77724	4.0
241.19443	5.9
259.20523	5.3
268.26581	3.5
277.21628	100.0
309.09540	39.1
309.24191	17.1
309.29822	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96764	0.8
52.71983	0.9
53.03951	2.5
55.01878	2.4
55.05324	1.0
55.05521	15.7
57.03433	1.3
57.07077	6.1
67.05182	1.8
67.05511	35.0
69.03435	2.1
69.07067	32.8
71.04993	1.3
71.08628	6.0
79.05496	26.1
81.03426	26.0
81.07060	39.8
81.91580	1.0
82.07369	1.3
83.04981	12.5
83.08627	13.2
85.06590	1.2
85.10204	1.8
91.05476	15.0
93.07038	32.3
95.04978	26.6
95.08600	20.1
96.08931	2.0
97.06525	4.1
97.10168	10.4
99.08076	4.8
99.56158	1.1
101.12086	1.0
105.07036	15.7
107.08591	22.7
109.06513	6.6
109.10176	11.5
111.08085	4.6
113.09643	1.2
117.06969	1.7
119.08552	7.5
121.10140	11.2
123.08066	2.3
123.11715	7.2
125.09637	8.0
131.08559	4.9
132.59834	1.0
133.10129	17.8
135.08063	4.3
135.11693	7.1
137.13225	1.3
139.28909	1.0
143.08563	2.0
145.10139	1.9
147.08000	1.2
147.11725	10.3
149.09717	1.4
149.13275	6.4
151.11183	26.6
153.09094	2.2
157.10110	1.3
161.09595	1.7
161.13275	10.2
163.11157	1.2
163.14803	1.8
165.04236	1.0
165.12697	5.8
171.11644	4.1
175.14806	3.9
179.14348	8.3
181.12247	1.1
185.13225	1.6
185.17139	1.1
189.12778	1.8
193.12283	1.7
203.12769	11.9
207.13768	2.0
221.15350	2.0
225.62753	1.1
231.21082	5.2
234.53366	1.3
241.19485	5.6
249.22159	2.2
259.20529	5.0
268.26334	1.7
274.26050	2.5
277.21613	100.0
291.19455	1.2
292.27161	2.4
309.09424	10.2
309.24438	13.8
309.29834	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.4
55.05519	18.4
57.07074	8.5
67.05511	26.3
69.07064	30.2
71.04966	1.9
71.08630	9.3
79.05486	14.7
81.03428	12.1
81.07061	41.1
83.04963	8.6
83.08609	20.5
83.66604	1.8
85.10152	1.9
91.05474	9.0
93.07042	26.6
95.04964	16.8
95.08617	24.5
96.08947	2.0
97.06524	2.2
97.10178	18.2
99.08123	3.5
100.07658	3.8
105.07059	15.9
105.07628	2.2
107.08595	19.0
109.06509	12.9
109.10165	16.9
111.04456	8.5
111.08070	2.9
111.11701	2.7
114.09126	2.2
117.07018	3.1
119.08575	3.6
121.10135	9.7
123.11712	4.6
125.09628	11.6
129.06985	2.5
131.08574	3.2
133.10124	11.0
135.11699	11.5
137.05984	100.0
147.08141	3.0
147.11693	11.7
149.09561	2.7
149.13197	4.4
151.11176	13.6
155.01083	2.6
159.11646	2.3
161.09607	3.3
161.13248	10.3
163.11166	3.8
163.14851	2.0
165.09192	3.4
165.12769	3.4
175.11127	2.4
177.12761	2.6
200.06508	2.3
203.12801	9.6
203.17958	3.8
213.16235	2.3
233.22748	2.9
249.18448	4.0
251.23624	2.6
268.26340	27.8
277.18015	41.6
277.21606	55.5
291.19583	7.6
292.27075	7.9
295.19113	7.4
309.09436	53.4
309.14719	3.2
309.24167	6.9
309.29865	8.7
324.10437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.38563	1.6
51.23158	1.6
55.05513	7.6
57.07067	1.5
57.88214	1.5
64.35301	1.5
67.05497	8.6
69.07084	12.7
71.04996	2.7
71.08636	12.8
79.05481	2.9
80.53419	1.7
81.07059	19.4
83.08607	4.5
93.07056	13.9
95.08614	19.1
97.06503	2.4
97.10164	2.8
99.08091	8.2
105.07038	3.0
107.08579	12.6
109.06541	2.5
109.10152	8.6
111.08036	2.0
119.08545	3.5
121.10104	3.1
123.08086	2.2
123.11676	3.0
133.10126	3.6
147.11670	3.1
149.13263	1.9
151.14703	2.4
165.12727	13.9
168.83772	2.2
186.33119	1.8
187.73798	1.9
188.15826	1.9
193.15820	2.1
291.23331	12.5
309.09396	25.1
309.24231	100.0
309.29440	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.65614	2.2
53.00311	3.1
55.01874	13.4
55.05521	33.6
57.03438	11.7
57.07071	14.2
58.27182	2.5
67.05509	62.2
69.03429	4.9
69.07075	27.5
69.19270	2.4
71.04986	5.7
71.08636	70.7
79.01804	2.6
79.05499	48.4
81.03416	14.0
81.07071	59.0
83.04984	14.5
83.08638	31.0
85.06548	14.5
85.10198	24.4
91.05477	29.5
93.07049	62.0
95.04966	27.1
95.08619	48.5
95.90289	2.5
97.06527	16.7
97.10184	40.1
98.61668	2.9
99.08100	56.4
100.08438	4.6
105.07021	34.3
107.04945	24.0
107.08595	54.4
109.06506	26.0
109.10156	31.2
111.08091	21.9
113.05991	11.9
113.09644	15.9
117.07018	5.0
119.08570	28.9
121.06527	5.9
121.10172	29.7
123.08059	17.9
123.11660	5.0
125.09631	30.3
127.11223	2.5
128.04350	3.1
129.07050	6.6
131.08577	15.1
133.10167	26.9
135.08075	5.8
135.11688	21.7
137.09618	16.6
139.07568	4.1
143.08578	6.0
145.10139	21.1
147.11684	13.8
149.09633	10.5
149.13237	6.8
151.11201	40.3
153.09123	5.4
153.12781	3.5
157.10095	4.8
159.11749	3.6
160.49945	2.6
161.13295	13.9
163.11174	16.3
163.14812	4.0
165.12743	18.5
171.11678	10.3
175.11255	10.3
175.14897	3.6
179.10713	5.2
179.14334	13.9
185.13339	3.3
189.11226	4.6
193.12256	4.7
194.12621	3.4
199.14824	4.6
203.12807	17.1
220.36165	3.4
222.33803	2.6
235.16844	5.7
241.19380	4.0
245.19016	4.1
246.19377	3.0
259.20572	12.2
273.18500	19.1
274.18814	3.2
277.21634	100.0
291.19589	48.9
291.22763	7.5
292.19821	12.0
309.09561	67.1
309.20697	15.6
309.24255	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01859	2.9
55.05521	18.5
57.07092	2.8
60.54217	2.0
67.05520	17.8
69.07053	14.3
71.08623	15.0
76.75757	2.0
79.05498	5.8
81.07057	37.4
83.08624	14.9
86.09705	18.3
93.07035	19.0
95.04963	3.8
95.08603	13.4
97.06551	3.5
97.10164	4.7
98.98477	11.7
99.08060	4.0
104.10747	15.7
105.07015	11.3
107.08598	15.7
109.06535	4.1
109.10155	4.3
111.08061	3.0
119.08540	4.5
121.10129	11.2
121.12457	2.4
123.08090	11.8
124.99971	10.2
127.68826	2.3
129.68996	2.1
131.00023	3.7
133.10100	4.3
135.11700	3.5
147.11684	4.2
149.13266	3.2
153.12704	2.4
157.01543	3.0
158.95099	2.8
165.12703	4.5
169.01532	2.5
184.07346	26.8
193.12146	4.7
229.42328	2.3
240.09929	13.0
256.09485	2.9
265.86099	2.7
277.21643	8.4
288.63318	4.1
291.19470	13.2
291.23175	12.2
292.22598	4.1
309.09494	99.3
309.20850	4.9
309.24237	100.0
325.04080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74665	0.6
53.19287	0.5
55.01884	0.6
55.05519	8.7
57.07080	12.2
67.05508	4.7
68.13361	0.5
69.07061	3.2
70.06580	1.1
70.57162	0.6
70.77625	0.6
79.05492	2.8
81.07059	5.9
82.06567	2.8
83.08633	1.0
85.02901	1.1
91.05495	1.0
93.07001	1.0
95.08578	1.4
96.08151	1.1
97.06522	0.8
97.10145	3.5
98.09709	0.8
107.08642	2.3
108.08104	0.8
109.10160	1.5
109.65164	0.6
111.08103	0.7
115.03938	1.2
119.08554	1.2
120.08076	1.6
123.11673	0.7
124.11214	3.3
125.09615	5.0
127.11233	2.3
134.09683	1.2
135.01053	0.7
136.07582	1.0
136.11223	1.5
138.12787	15.9
140.14355	6.9
148.11235	3.2
166.12247	4.8
168.13866	1.4
172.58342	0.8
175.11249	0.9
176.14362	1.0
190.15967	0.9
194.15347	0.8
204.17538	0.9
208.16957	4.0
209.24368	0.7
222.18575	5.3
236.23618	2.9
241.32611	0.7
246.22083	7.1
264.23209	100.0
264.55063	0.7
274.21652	4.2
292.22696	84.0
309.09476	20.8
309.13123	0.8
309.25351	55.3
325.51941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77547	0.6
54.80407	0.7
55.05519	5.4
57.07083	4.8
57.98251	0.8
60.11645	0.7
61.41079	0.7
66.23663	0.6
67.05498	2.9
69.07054	6.2
70.06605	0.6
71.08619	3.5
71.91879	0.6
76.89362	0.6
79.05490	1.4
79.61773	0.6
81.07065	5.2
82.06598	1.1
83.00218	0.7
83.08625	5.7
84.08144	1.1
84.08937	0.7
89.06940	0.6
93.07043	1.4
93.50381	0.6
95.08598	3.6
96.84776	0.6
97.10184	1.1
107.08624	2.9
109.10169	3.1
110.09684	4.3
110.10391	0.8
111.08009	1.0
119.08578	0.7
120.08117	2.7
124.11224	7.2
126.12846	4.9
148.11217	0.9
152.10757	4.8
162.12784	1.1
182.15430	1.1
198.15950	0.8
222.18565	0.9
236.20093	0.8
236.23730	1.5
246.22275	5.0
250.21786	0.8
264.23218	100.0
277.21741	1.3
292.22705	62.4
309.09464	21.8
309.14862	1.0
309.25378	41.0
309.29617	2.9
323.43100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.39265	3.9
55.05521	10.3
57.07084	50.5
62.33552	3.9
62.77513	4.2
67.05505	17.4
68.25864	3.8
69.07066	43.8
71.08623	26.7
81.07080	68.9
83.08629	36.6
85.10179	11.5
92.20956	5.7
95.08598	79.6
97.10155	29.4
109.06502	5.9
109.10164	69.3
111.11718	8.1
114.38171	4.4
123.11715	50.0
137.09615	5.5
137.13223	23.7
151.14851	6.3
201.27019	4.2
291.19608	5.0
291.26886	6.6
309.27872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	43.6
56.05851	3.9
57.07080	24.2
58.07419	4.4
60.24045	2.1
65.06696	2.8
67.05511	44.2
68.05827	4.1
69.07076	77.6
70.07396	16.1
71.08639	19.6
71.61092	2.4
75.54882	2.3
78.73787	2.6
79.05476	5.9
80.05824	2.8
81.07064	64.3
82.07396	23.4
83.04967	3.0
83.08627	62.0
84.08108	3.7
84.08955	12.1
85.06548	3.7
85.10182	5.1
86.06078	6.0
91.05495	14.5
93.07039	10.6
94.07391	4.2
95.08601	76.4
96.08924	35.9
97.06551	6.0
97.10166	44.1
98.10520	13.8
100.07617	10.5
101.07972	3.9
105.07040	14.8
106.07394	7.6
107.08604	11.8
108.08931	4.0
109.10141	32.6
110.10467	21.3
111.08076	6.1
111.11770	9.1
112.12077	3.8
114.09171	11.8
119.08556	4.3
120.08919	4.9
121.10146	17.8
122.10487	12.1
123.11701	14.6
124.12022	5.2
125.09624	4.7
128.10745	3.9
133.10120	16.8
134.10509	11.6
135.11684	12.8
136.12019	5.1
138.13524	3.0
147.11699	10.1
148.12025	6.1
150.13655	3.7
151.14847	2.8
161.13232	3.7
162.13603	5.1
169.46925	2.7
169.92986	2.6
176.15103	3.3
186.11938	2.7
194.19873	3.5
200.72932	2.6
208.21436	4.4
221.12962	2.7
274.26135	42.9
292.27173	75.3
304.52420	2.6
309.09503	22.2
309.29877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	43.6
56.05851	3.9
57.07080	24.2
58.07419	4.4
60.24045	2.1
65.06696	2.8
67.05511	44.2
68.05827	4.1
69.07076	77.6
70.07396	16.1
71.08639	19.6
71.61092	2.4
75.54882	2.3
78.73787	2.6
79.05476	5.9
80.05824	2.8
81.07064	64.3
82.07396	23.4
83.04967	3.0
83.08627	62.0
84.08108	3.7
84.08955	12.1
85.06548	3.7
85.10182	5.1
86.06078	6.0
91.05495	14.5
93.07039	10.6
94.07391	4.2
95.08601	76.4
96.08924	35.9
97.06551	6.0
97.10166	44.1
98.10520	13.8
100.07617	10.5
101.07972	3.9
105.07040	14.8
106.07394	7.6
107.08604	11.8
108.08931	4.0
109.10141	32.6
110.10467	21.3
111.08076	6.1
111.11770	9.1
112.12077	3.8
114.09171	11.8
119.08556	4.3
120.08919	4.9
121.10146	17.8
122.10487	12.1
123.11701	14.6
124.12022	5.2
125.09624	4.7
128.10745	3.9
133.10120	16.8
134.10509	11.6
135.11684	12.8
136.12019	5.1
138.13524	3.0
147.11699	10.1
148.12025	6.1
150.13655	3.7
151.14847	2.8
161.13232	3.7
162.13603	5.1
169.46925	2.7
169.92986	2.6
176.15103	3.3
186.11938	2.7
194.19873	3.5
200.72932	2.6
208.21436	4.4
221.12962	2.7
274.26135	42.9
292.27173	75.3
304.52420	2.6
309.09503	22.2
309.29877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38744	5.4
55.05513	31.9
57.07088	11.0
61.26408	5.1
62.48915	4.7
67.05502	38.3
68.86655	4.4
69.07072	51.1
70.07387	20.5
71.08620	6.3
74.91273	4.7
79.05496	6.0
81.07058	61.1
82.07394	21.7
83.08610	40.6
84.08955	7.2
93.07058	20.9
95.08598	62.2
96.08952	12.6
97.10160	22.9
98.10476	13.0
100.07615	7.2
105.07049	6.3
107.08569	8.6
109.10163	36.8
110.10490	27.2
111.08105	7.7
114.09170	8.0
119.08597	8.4
121.10193	5.5
122.10461	5.8
123.11690	13.3
133.10095	9.2
134.10451	7.8
136.11935	6.8
137.05981	49.3
231.17360	5.5
233.37273	5.3
274.26132	48.3
277.18002	22.9
292.27115	62.4
309.29807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64178	3.2
55.05510	28.0
56.05853	4.4
57.07079	23.7
61.27747	3.2
67.05509	40.6
68.05841	5.7
69.07075	49.5
70.07410	9.7
71.08629	7.7
71.12531	3.7
72.36797	3.6
79.05477	18.8
81.07055	60.2
82.07394	25.2
83.08627	43.3
84.08957	15.9
87.67426	3.4
91.05464	6.6
93.07034	8.0
95.08603	56.1
96.08932	28.5
97.06517	4.6
97.10160	21.4
98.10506	8.3
100.07612	7.5
104.10739	9.7
105.07005	6.8
107.08604	8.7
108.08935	5.7
109.10158	36.5
109.68012	3.8
110.10491	9.5
111.11657	5.2
112.99151	4.5
119.08591	5.5
121.10155	9.6
122.10477	5.8
123.11723	7.4
124.12027	5.9
124.26705	4.2
133.10129	4.8
135.11674	5.1
136.11998	4.8
138.52971	22.5
150.05739	5.5
157.53770	18.7
161.13231	5.5
166.54306	5.6
184.07339	16.4
273.75592	4.2
274.26004	37.3
277.15359	8.1
292.27155	52.5
309.09470	100.0
309.29758	76.6
334.43143	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12403	0.6
68.68519	0.5
69.03422	0.5
78.01736	0.5
91.05504	0.5
101.01105	0.5
120.08141	0.6
121.06494	0.9
122.06877	0.6
132.08070	0.7
139.95882	0.6
147.04445	0.7
148.04771	0.8
151.60425	0.5
168.64168	0.6
173.06052	0.8
206.00473	0.6
208.07675	0.7
223.06285	5.0
231.51329	0.6
236.07047	2.4
238.08620	1.1
255.05257	2.7
266.08121	100.0
267.08896	20.8
267.11609	1.0
280.06110	0.7
282.11252	5.6
292.11987	0.9
292.15622	1.4
295.08438	2.5
310.07153	96.5
310.10666	14.7
318.32553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0706
Annotation	Cepharanone C
Peak:m/z	Relative Intensity
70.06591	0.7
78.21204	0.4
84.04509	0.7
84.07164	0.4
84.08144	0.7
86.09713	0.5
129.04948	0.4
138.51891	0.4
148.55782	0.5
164.81589	0.5
170.77127	0.5
217.71790	0.5
264.06729	0.5
265.07336	0.6
266.08099	5.9
267.05164	1.8
267.08575	2.0
279.08871	9.5
280.06140	0.9
282.07581	40.9
294.07568	16.3
295.08298	9.6
310.07068	100.0
310.10696	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0709
Annotation	2-Hydroxy-8-methoxycepharanone A
Peak:m/z	Relative Intensity
63.06339	0.6
69.03445	0.8
69.41305	0.5
69.96548	0.4
73.02918	2.3
96.21791	0.5
97.02899	1.1
132.08078	0.8
136.06207	0.9
146.73445	0.5
149.06123	0.6
206.08165	0.8
208.07491	0.6
222.05789	1.1
223.06271	5.8
236.06969	1.9
238.08730	0.6
255.05270	3.3
264.01752	0.6
266.08105	94.3
267.08853	3.5
282.07642	2.6
282.11093	0.6
295.08389	2.3
297.26035	0.6
310.07101	100.0
310.10529	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51404	0.7
74.13036	0.6
113.84966	0.6
177.63159	0.6
222.50659	0.7
258.24463	0.7
266.08160	0.8
267.08777	3.8
271.77274	0.6
278.31177	0.6
282.10974	1.5
295.08377	100.0
310.07208	7.2
310.10663	98.1
332.18738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1071
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
50.51404	0.7
74.13036	0.6
113.84966	0.6
177.63159	0.6
222.50659	0.7
258.24463	0.7
266.08160	0.8
267.08777	3.8
271.77274	0.6
278.31177	0.6
282.10974	1.5
295.08377	100.0
310.07208	7.2
310.10663	98.1
332.18738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1074
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
56.58476	0.3
57.26490	0.3
57.98270	0.3
61.44068	0.3
64.75368	0.3
84.16660	0.3
87.57923	0.3
101.62209	0.4
115.29092	0.4
147.04454	0.4
171.10600	0.3
227.16519	0.4
238.08870	0.4
266.08020	0.5
267.08847	4.6
282.11188	2.1
295.08395	100.0
310.10706	78.7
310.18683	0.9
319.91846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1071
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
57.27792	0.4
70.22379	0.3
71.17808	0.4
109.19390	0.4
111.14296	0.4
266.08032	0.8
267.08896	2.5
273.92654	0.4
295.08377	100.0
310.10684	81.2
317.41467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01637	0.3
53.46254	0.3
63.25961	0.3
79.61834	0.4
79.64182	0.4
98.09759	0.8
102.70196	0.4
113.63724	0.4
116.10760	0.6
121.89533	0.4
137.96138	0.4
144.10265	1.7
146.47002	0.4
250.08936	0.4
266.08112	1.9
267.08932	3.2
279.59885	0.4
282.11261	0.5
286.06711	1.3
295.08374	100.0
310.10684	87.6
310.18140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1071
Annotation	Clausevatine G
Peak:m/z	Relative Intensity
52.66563	0.8
60.19503	0.8
62.84064	1.0
63.80513	0.8
65.24472	0.9
77.02716	0.9
87.06189	1.0
91.29027	0.9
91.52693	1.0
101.86368	1.0
129.20110	0.9
132.41310	0.9
137.09662	0.9
210.05464	16.9
220.07509	7.3
221.08395	10.6
232.07491	2.0
233.08411	1.7
242.96643	0.9
249.07840	21.0
260.07022	1.3
264.10236	4.8
267.08673	1.3
277.07297	10.5
280.06036	41.4
282.11346	1.7
291.08969	1.5
292.09641	15.6
295.08408	15.1
310.10730	100.0
310.23520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1073
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
69.07115	0.5
72.58035	0.4
88.03994	3.1
115.89426	0.4
117.12099	0.4
129.00775	0.4
133.72980	0.4
148.15646	0.5
157.36964	0.4
163.21588	0.4
177.05502	0.7
247.96329	0.5
266.07993	0.6
267.08826	4.1
294.07712	0.5
295.08371	100.0
310.10687	70.2
310.14319	1.1
310.19849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1071
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
67.43707	0.3
71.59534	0.3
75.47650	0.3
81.03476	0.3
83.78643	0.3
98.17236	0.3
109.28043	0.3
110.15329	0.3
116.07114	0.4
121.06548	1.3
122.39102	0.3
130.44263	0.3
145.02921	2.1
148.04744	0.4
177.05473	5.8
198.09224	0.3
266.08014	0.5
267.08887	2.5
282.11337	0.4
288.07333	0.3
295.08392	100.0
310.10712	74.6
310.20084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1131
Annotation	N-Acetyl-alpha-neuraminate
Peak:m/z	Relative Intensity
65.67790	1.4
68.05051	1.9
69.03454	7.6
81.03445	3.5
84.04514	26.2
85.02907	12.8
87.03227	1.8
96.04524	7.2
97.02888	43.3
97.03474	1.9
98.03220	1.9
99.04488	1.9
102.05531	14.8
109.02915	2.3
114.05525	22.8
114.09821	1.4
126.05528	11.3
127.03939	10.2
127.15626	1.5
130.05005	26.6
131.05333	2.5
131.50027	1.6
134.06036	2.5
137.59947	1.5
142.05014	20.3
143.05803	6.7
144.06560	2.5
145.01295	1.5
148.06029	19.9
160.06067	13.2
161.06834	6.3
162.05557	9.7
164.07115	3.3
165.98193	2.3
168.06560	2.1
172.06128	2.4
180.06505	13.2
183.99210	1.5
192.06628	2.8
196.05986	2.1
199.08513	6.1
200.86725	1.7
208.06036	18.5
209.97157	1.8
210.07675	5.8
226.07089	30.9
226.08971	3.1
227.98331	1.9
228.08678	6.3
238.06992	3.2
246.09619	14.6
274.09152	27.0
281.72446	1.6
292.10229	100.0
292.13379	3.4
310.11273	15.9
327.51230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
57.92242	0.3
69.03432	4.3
85.02861	0.5
86.94918	0.4
87.04473	0.5
92.35264	0.4
97.02887	3.0
99.58215	0.4
103.16394	0.4
103.42967	0.4
111.32702	0.3
115.03946	1.6
118.94718	0.4
120.08113	0.5
132.08122	0.6
136.06189	100.0
147.04333	0.4
148.04720	0.7
175.05977	3.5
176.00906	0.4
193.04840	0.4
199.51544	0.4
209.08327	0.6
236.07126	0.5
237.07811	2.1
238.08687	0.4
250.07034	0.6
267.08762	1.5
280.05923	0.8
282.07654	4.3
282.11081	1.4
292.12006	0.7
295.08325	0.8
310.07108	44.6
310.11169	11.8
322.69189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04725	0.3
67.31775	0.4
68.04982	0.4
69.03404	0.5
69.07042	0.6
70.06593	2.9
84.76768	0.4
85.02881	0.4
91.05463	2.3
93.07042	5.6
95.04954	1.5
96.04498	2.7
97.02893	0.4
98.06046	0.6
99.04447	0.9
103.05450	3.7
105.04459	0.4
107.04977	1.5
111.04436	4.4
112.66901	0.4
113.05984	2.1
120.08106	0.8
121.06498	100.0
126.05507	0.4
127.03938	0.5
128.06226	0.4
128.07074	2.4
131.07033	2.3
136.06140	0.5
137.05974	0.5
147.04427	0.7
153.98433	0.3
161.06024	1.7
164.07086	0.8
171.08028	0.8
172.06000	4.7
172.76726	0.4
178.08673	1.5
179.55992	0.4
189.09055	3.1
190.07103	5.4
194.08113	0.8
206.11810	2.9
213.12350	1.7
220.09819	0.7
224.12798	0.6
236.09222	0.8
250.10831	0.4
264.12186	0.6
292.11789	4.2
292.15143	0.6
310.12872	55.0
310.16464	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1284
Annotation	Sporovexin C
Peak:m/z	Relative Intensity
53.25381	2.2
55.19982	2.0
57.03458	2.0
57.24775	1.9
62.93322	2.1
64.43764	2.1
67.86294	1.9
69.03423	13.1
73.02929	2.6
81.03414	2.2
82.07652	2.9
85.02922	17.5
85.63404	2.4
87.03192	17.8
90.93243	2.3
91.05475	23.0
91.23940	2.8
93.27366	2.1
96.04488	2.5
97.02887	24.9
99.04465	5.2
103.05464	9.5
105.07056	3.9
112.03960	20.7
120.08102	84.0
127.03899	10.3
127.92655	2.3
130.06534	13.9
131.04958	4.9
132.08086	71.5
143.05783	16.4
143.08607	2.5
144.08128	14.8
145.05096	2.4
153.43494	2.3
156.07985	4.4
161.06827	14.2
166.08592	21.8
171.08047	9.2
174.09155	3.4
178.08629	5.7
186.09047	3.1
198.09143	17.7
202.08621	5.1
210.09053	2.8
228.10178	4.1
244.09631	17.1
246.11189	15.7
253.22552	2.4
264.12292	54.6
282.13281	4.4
292.11801	65.9
310.07190	3.6
310.12903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53181	0.4
99.89507	0.4
113.34450	0.4
224.08282	3.3
228.33688	0.4
230.63503	0.4
236.10692	1.5
250.12291	1.7
264.10172	0.9
266.11734	2.6
278.11777	0.7
280.09674	8.0
282.10104	0.5
294.11148	3.1
295.12030	100.0
310.14365	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1435
Annotation	Stephalagine
Peak:m/z	Relative Intensity
71.53181	0.4
99.89507	0.4
113.34450	0.4
224.08282	3.3
228.33688	0.4
230.63503	0.4
236.10692	1.5
250.12291	1.7
264.10172	0.9
266.11734	2.6
278.11777	0.7
280.09674	8.0
282.10104	0.5
294.11148	3.1
295.12030	100.0
310.14365	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1433
Annotation	Stephalagine
Peak:m/z	Relative Intensity
50.37115	0.2
50.45204	0.3
51.86582	0.2
67.44069	0.3
69.76582	0.3
82.49252	0.3
108.33557	0.3
114.37657	0.4
115.50694	0.4
210.22942	0.3
224.08200	3.0
227.89066	0.3
236.10707	1.5
250.12262	1.8
263.09204	0.4
264.10190	0.4
265.07425	0.6
266.11789	3.3
278.11725	0.6
280.06909	0.6
280.09695	8.6
282.10294	1.4
294.11127	3.4
295.12024	100.0
310.14355	67.9
325.55164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1649
Annotation	Fulvine
Peak:m/z	Relative Intensity
57.03440	0.9
61.02929	1.0
63.10488	0.7
69.03436	6.2
71.04985	1.6
71.08729	0.7
71.35129	0.9
73.02915	1.1
78.66830	0.8
81.03416	1.3
84.08115	1.1
85.02924	8.5
87.03201	1.1
87.04442	1.5
91.05468	4.8
97.02893	5.9
97.86410	0.8
98.06063	1.8
98.97623	1.4
99.04465	6.9
101.06004	1.3
105.07015	1.2
107.04928	1.4
109.02880	7.3
111.53182	1.0
112.03976	1.5
113.06020	5.4
116.07072	3.2
116.98621	1.2
119.04925	1.2
120.08102	14.0
127.03920	4.8
128.07083	45.1
128.59126	0.9
130.08658	1.4
131.04921	1.1
131.07022	1.6
132.08092	14.5
137.05991	4.5
142.08640	25.6
143.05811	1.1
145.06480	7.6
148.09645	1.3
158.99658	1.9
160.09660	22.9
161.06970	1.0
162.09290	0.9
163.07529	14.0
165.09108	9.1
166.08630	5.2
175.07483	0.9
177.00874	0.9
178.08601	1.3
192.10196	83.0
198.09160	4.0
206.08011	0.9
219.01718	1.3
230.93149	0.9
244.09703	3.4
246.11311	3.9
264.12265	9.7
278.13925	2.1
282.13284	1.5
292.11801	12.2
292.15045	2.2
299.46802	0.9
303.07355	1.2
310.03284	1.2
310.10107	2.7
310.12820	29.2
310.16492	100.0
321.08679	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.3
55.05518	12.3
57.07088	99.9
64.34349	4.8
67.05501	31.9
69.07072	9.8
69.65920	4.8
79.05489	11.5
81.07059	45.7
82.07353	4.9
83.08600	8.9
89.25238	5.0
91.05471	13.3
93.07049	22.4
95.04992	7.8
95.08572	8.5
97.06546	6.9
105.07033	12.4
107.08587	10.5
109.06521	5.4
109.10155	11.3
114.27593	6.8
119.64024	5.7
121.10171	23.9
123.11708	7.5
127.11190	39.0
133.10091	8.2
134.32784	5.2
135.11765	8.2
145.10100	5.7
147.11755	8.5
149.09616	44.5
161.42073	5.4
163.11298	8.4
179.14333	24.6
213.80989	5.1
223.83563	5.5
240.01337	5.8
247.20583	100.0
257.18869	7.5
269.44489	5.8
275.20099	59.3
292.19754	12.7
292.22705	41.1
293.21085	78.1
310.23697	26.9
310.27335	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2376
Annotation	Melophlin M
Peak:m/z	Relative Intensity
53.03915	2.6
55.01881	15.7
55.05511	13.2
57.07088	6.7
67.05515	24.5
69.07056	18.1
71.05017	3.5
73.14202	3.2
79.05488	13.9
81.07064	24.2
83.08621	18.5
85.06526	5.2
85.10195	25.0
91.05476	7.3
93.07047	19.7
95.04973	14.9
95.08602	12.1
97.10190	6.8
104.60204	3.0
105.07010	7.9
107.08597	18.6
109.06532	3.8
109.10152	21.7
111.04445	5.6
113.09644	19.7
119.08556	7.1
121.10151	14.6
131.08618	4.0
133.10155	7.2
135.11703	14.5
139.11205	4.6
145.10121	6.8
149.09624	3.9
155.10719	4.9
159.11685	3.8
163.11162	16.3
165.09026	7.0
165.12711	16.7
169.12410	4.0
170.11761	12.7
177.12746	5.1
181.12332	7.4
247.20587	29.2
257.19110	4.6
265.21689	4.6
275.20084	32.5
292.19818	9.8
292.22729	48.2
293.21143	100.0
295.08377	8.1
310.10333	43.0
310.23758	28.0
310.27142	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2375
Annotation	Melophlin M
Peak:m/z	Relative Intensity
54.49039	4.3
55.01873	26.8
55.05526	5.4
55.95984	3.7
57.07072	21.6
67.05511	30.2
69.07063	32.7
70.95826	4.6
79.05502	23.7
81.07060	39.3
83.04955	7.4
83.08648	9.3
85.06538	30.7
91.05435	7.6
93.07046	30.8
95.04957	10.2
95.08607	24.0
96.95045	4.9
97.06522	6.2
107.08615	10.2
109.10147	12.0
111.04464	7.2
111.08062	8.9
119.08579	11.4
121.10145	11.7
123.08044	6.5
131.08560	9.7
135.08014	6.1
135.11761	12.1
137.09610	26.4
139.80525	5.5
141.09131	6.2
145.10242	5.4
149.86487	4.7
163.11122	5.4
190.59798	4.8
241.16824	5.3
247.20563	29.5
255.10556	5.5
265.21503	6.7
275.20099	27.8
292.19806	31.6
292.22433	36.3
293.21085	100.0
295.08456	35.5
305.66772	5.5
310.06750	8.8
310.10440	84.3
310.23792	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44629	2.1
55.01880	15.7
55.05518	12.9
57.07062	3.8
67.05497	14.6
69.07064	16.1
71.04954	3.5
71.08636	23.9
79.05495	13.0
81.07052	21.4
83.08634	6.7
91.05462	5.4
93.07043	14.3
95.04982	11.3
95.08611	17.4
97.10116	3.5
99.08098	16.9
107.08575	12.6
109.10172	10.3
111.04446	4.5
111.08092	6.6
119.08538	4.6
121.10120	11.6
122.10465	3.0
123.08078	5.9
125.09645	6.6
131.08572	6.3
133.10179	4.9
135.11740	5.0
145.10193	3.6
149.09644	3.5
151.11169	10.7
163.11172	3.3
167.10677	5.8
173.13382	3.0
177.12718	5.4
191.32956	3.4
247.20570	17.7
265.21515	6.2
269.02954	3.2
275.20087	23.1
292.19858	7.4
292.22699	63.4
293.21106	100.0
295.08466	11.2
310.06964	3.3
310.10190	28.6
310.23975	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.5
55.05525	23.9
57.03428	3.9
57.07082	22.9
58.26664	2.7
67.05511	33.4
69.03416	4.1
69.07072	24.4
71.04966	5.9
71.08626	5.5
79.05495	20.1
81.03397	4.6
81.07072	53.9
83.04998	14.1
83.08619	14.2
85.02904	4.9
85.06544	28.7
86.83866	3.3
91.05520	22.5
91.05984	3.8
92.20878	3.0
93.07039	24.4
95.04959	19.8
95.08608	43.0
97.06561	10.7
97.10164	16.3
99.08076	4.2
104.68607	3.1
105.07050	16.4
107.08583	31.9
109.06528	7.0
109.10195	27.8
111.04408	3.6
111.08071	5.5
113.05997	3.2
113.09702	5.8
117.07001	4.5
117.41281	3.1
118.10387	3.3
119.08579	18.9
121.06524	3.8
121.10133	19.0
123.08106	14.0
123.11700	12.5
124.11227	3.8
125.09644	17.6
127.11175	21.1
131.08572	13.7
133.10120	16.9
135.08069	15.6
135.11678	7.5
137.09605	39.5
139.11244	4.4
141.09116	15.0
145.10071	13.8
147.11699	18.9
149.09590	15.1
149.13228	4.8
151.11197	6.8
155.10680	5.5
156.13744	3.2
161.13272	4.4
163.11099	6.5
163.14865	3.8
165.12805	4.2
167.10606	4.7
169.12309	6.3
170.11778	13.2
173.13217	13.7
175.11186	14.2
177.12787	14.3
191.14330	6.6
238.57314	3.2
247.20529	19.3
257.18863	6.2
275.20108	71.1
278.21744	4.0
292.19824	5.8
292.22739	93.5
293.21097	100.0
295.08264	4.3
310.10251	23.6
310.23770	64.9
312.98322	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2374
Annotation	Melophlin M
Peak:m/z	Relative Intensity
51.28032	1.3
53.43699	1.3
53.69013	1.3
55.05507	10.7
56.05035	7.3
57.07076	1.8
58.82530	1.2
60.55373	1.3
66.25047	1.3
67.05514	17.5
69.07077	14.1
70.06593	14.2
70.64205	1.5
71.08636	1.6
79.05491	8.1
81.07061	25.5
82.06580	3.7
83.08632	7.1
84.08138	3.6
85.06510	1.6
86.09718	11.9
91.05489	6.0
93.07055	12.3
95.08609	22.3
96.08119	2.3
97.06543	2.2
97.10178	3.3
98.09708	1.5
101.99226	1.5
105.07022	2.4
107.08570	6.9
109.10152	9.7
111.11704	1.8
112.11243	2.3
119.08582	6.3
121.10150	6.4
126.12775	12.4
133.10124	3.8
135.11662	2.6
136.11162	2.2
154.12257	3.6
166.15904	2.4
172.13318	9.7
179.08798	1.6
194.15408	3.2
212.16457	11.0
224.62437	1.8
228.23207	1.8
252.19510	11.1
266.20834	2.2
275.20227	1.8
292.19879	1.9
292.22729	12.8
293.21304	1.6
310.23758	100.0
310.30991	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
56.05045	5.3
57.03438	1.5
57.07087	1.3
67.05505	6.4
69.07077	7.4
71.08636	0.6
74.06081	100.0
75.06599	0.6
81.07063	7.6
83.08629	6.3
85.10156	0.9
93.07039	4.0
95.08595	5.5
96.09005	0.7
97.10170	4.4
99.08087	0.7
102.85684	0.7
107.08556	2.3
109.10184	1.3
121.10145	3.6
123.11684	0.9
135.11708	1.1
137.49370	0.7
147.11711	1.0
148.61237	0.7
189.10501	0.7
237.22108	1.0
242.34561	0.6
293.21024	2.7
310.23767	2.6
310.27298	13.6
310.30615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54445	1.5
51.82443	1.3
55.05518	19.6
57.07080	32.5
58.06607	1.8
59.85795	1.6
62.66494	1.8
67.05500	9.7
69.07071	43.2
71.08641	15.6
72.08119	3.3
77.36313	1.6
79.05486	6.8
81.07057	22.2
83.08615	42.4
85.10164	8.7
86.06076	4.0
93.07034	9.6
95.08621	20.6
97.06533	10.2
97.10168	30.6
99.08073	1.9
100.07605	11.3
105.06999	2.0
107.08588	12.3
109.10152	12.7
111.08049	13.2
111.11726	9.7
114.09147	8.6
121.10148	11.5
123.11664	3.8
123.69173	1.8
125.09649	3.0
126.28337	1.7
128.10736	7.9
135.11679	10.7
139.11186	3.0
149.13243	10.6
275.20160	3.6
275.27380	7.8
293.21191	3.8
293.28400	15.4
295.08490	1.9
310.06934	3.9
310.10391	7.3
310.23798	3.8
310.31009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25296	0.9
53.00032	0.8
55.01857	1.5
55.05275	1.3
55.05519	19.5
57.06820	1.5
57.07080	28.4
58.06595	0.9
61.22583	0.8
64.48338	0.7
67.05508	9.7
67.42625	0.8
68.56158	0.9
69.03416	1.1
69.06702	1.9
69.07070	45.6
71.04967	2.2
71.08620	17.1
72.04519	1.2
72.08159	2.1
79.05493	5.6
81.07058	22.6
83.04974	2.3
83.08620	44.8
85.06551	1.8
85.10172	7.3
86.06092	6.9
86.09750	1.0
93.07025	11.7
95.08613	21.9
95.85192	0.9
97.06519	10.6
97.10174	26.8
99.08076	1.5
100.07607	12.5
107.08598	11.6
109.10149	12.3
111.08082	9.9
111.11741	9.6
114.09157	9.9
121.10121	14.7
121.15972	0.9
123.11687	5.0
125.09629	5.7
125.13249	1.8
128.10732	5.5
133.10054	0.9
135.11685	13.9
137.13235	1.0
139.11147	4.1
142.12325	2.2
149.13255	9.5
154.15958	1.0
156.13739	1.4
163.14816	2.2
165.21660	1.2
177.16396	1.4
212.20091	2.0
226.21622	1.2
236.74358	1.1
254.24774	1.5
268.29883	1.4
272.12784	1.2
275.27295	12.1
292.22665	2.1
293.21085	9.2
293.28314	14.7
310.06973	1.3
310.10162	2.1
310.23669	6.2
310.31012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83270	1.8
55.01873	2.7
55.05516	21.3
56.25225	2.0
57.07081	30.3
62.74466	2.2
66.76927	2.2
67.05497	12.3
69.03413	2.3
69.07069	44.7
71.08627	14.8
72.08165	3.4
79.05494	10.5
81.07066	24.4
83.08630	32.0
85.10194	4.7
86.06074	3.2
91.93768	2.2
93.07055	11.0
95.04922	2.8
95.08619	26.8
97.06538	9.4
97.10162	28.3
100.07620	12.2
107.08597	13.2
109.10164	10.2
109.82504	2.1
111.08090	10.1
111.11729	12.9
114.09164	10.0
118.56799	2.7
121.10136	13.7
123.11707	3.0
125.09648	4.8
131.62631	2.2
132.91154	2.2
135.11697	15.8
142.29312	2.3
149.13232	4.1
228.28110	2.3
275.20160	3.8
275.27283	9.9
293.21127	16.2
293.28323	9.3
295.08496	5.2
310.07056	5.0
310.10410	29.4
310.23697	10.9
310.27328	3.3
310.30994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
52.39518	0.8
53.00327	0.9
55.01869	0.9
55.05522	20.8
57.03452	0.9
57.06829	1.4
57.07085	30.4
64.72909	0.7
67.05506	12.4
69.07073	50.5
71.04996	1.4
71.08639	20.2
71.95638	0.9
72.04510	1.6
72.08149	5.1
79.05484	6.5
81.07064	24.9
83.04990	2.1
83.08628	46.0
83.79768	1.0
85.06568	1.4
85.10184	8.9
86.06065	5.1
91.05476	1.0
92.08640	0.9
93.07040	14.4
95.08618	23.3
97.06544	9.9
97.10165	34.0
99.08080	1.2
100.07629	14.0
105.07012	1.0
107.08604	12.3
108.00159	0.9
109.10157	14.2
110.69366	0.8
111.08089	11.5
111.11726	10.6
114.09161	8.4
114.16626	0.9
121.10144	13.9
123.11713	5.0
125.09633	5.4
125.13248	1.7
128.10724	5.0
135.11717	11.1
137.13289	2.0
139.11185	4.2
142.12271	4.5
148.40680	0.9
149.13226	7.6
153.12764	1.8
156.13858	2.0
163.11176	1.2
163.14799	4.5
166.27901	1.0
167.14272	1.2
177.16438	1.3
179.17981	0.9
184.17015	1.0
205.19658	0.9
226.21768	1.5
240.23145	1.2
252.26991	1.1
266.08328	1.3
268.29880	1.2
275.20117	2.0
275.27338	15.6
293.21072	6.1
293.28384	17.9
295.08487	1.0
310.06906	1.4
310.10263	5.6
310.23810	5.9
310.31036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.31
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05518	14.8
57.03448	1.7
57.07084	22.6
58.61912	1.2
67.05502	10.0
69.07073	37.7
71.08630	13.5
72.04517	2.5
72.08139	2.7
79.05492	8.8
81.01919	1.4
81.07058	17.4
83.04987	1.9
83.08628	32.7
85.10178	7.9
86.06044	5.9
92.21575	2.7
93.07052	12.4
95.08616	16.2
97.06536	8.5
97.10165	36.5
100.07632	11.4
105.62415	1.8
107.08597	9.8
109.10181	11.8
111.08070	8.8
111.11705	10.1
114.09140	8.9
121.10114	12.6
123.11725	3.0
125.09622	8.6
125.13234	1.6
128.10649	3.1
135.11696	10.9
139.11177	1.8
142.12321	2.5
149.13264	3.7
156.13765	1.6
159.36525	1.9
163.14801	1.8
163.86815	1.7
235.28378	1.5
275.20163	2.2
275.27325	10.6
293.21295	5.8
293.28387	19.7
310.10669	3.0
310.31042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
50.74338	1.7
53.37221	1.8
55.01896	1.9
55.05528	15.4
57.07082	24.8
67.05499	8.0
69.07074	42.2
71.08631	21.0
71.92279	2.3
72.08163	2.9
72.18307	1.9
79.05502	4.7
81.07072	15.9
82.95745	2.0
83.08622	39.6
85.10176	10.7
86.06076	3.8
93.07039	8.1
95.08596	20.5
97.06537	3.5
97.10174	31.4
100.07614	11.9
107.08631	7.1
109.10145	9.7
111.08086	9.2
111.11716	10.2
114.09167	9.4
121.10126	8.8
123.11562	2.7
125.09628	5.0
128.10730	3.3
135.11678	9.6
139.11171	2.0
149.13251	8.7
163.14886	3.3
169.79802	2.1
254.49765	2.0
268.29688	2.0
270.47537	2.1
275.27429	8.5
293.28424	18.8
296.39536	3.0
310.31024	100.0
310.34631	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
52.16294	1.4
55.05527	15.6
57.07086	24.2
67.05505	8.0
69.06757	2.1
69.07079	40.7
71.08617	12.8
72.04504	8.0
72.08135	2.5
79.05486	4.4
81.07063	17.1
83.08630	32.5
85.10172	9.1
86.06063	3.9
93.07038	9.9
95.08610	18.3
97.06536	9.4
97.10170	26.5
100.07601	12.4
107.08585	8.1
107.38965	1.9
109.10137	10.6
111.08061	4.1
111.11712	10.3
114.09140	8.0
121.10128	10.9
123.11686	3.0
125.09608	3.0
128.10689	3.7
135.11676	12.1
139.11168	3.9
142.12291	2.4
149.13274	3.9
163.14807	2.3
167.54097	1.9
275.27322	9.3
293.28448	17.7
310.10492	1.9
310.31012	100.0
325.51913	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44104	1.5
52.93453	2.0
55.05507	9.5
57.07073	13.8
67.05491	5.2
69.07086	22.1
71.08638	9.4
72.08142	3.5
81.07057	10.8
83.08625	18.6
85.10148	4.1
85.12487	2.2
86.06069	3.7
93.07017	3.2
95.08622	18.0
95.32623	2.0
97.06560	3.0
97.10159	16.1
99.08130	2.2
100.07598	2.4
103.88636	1.8
107.08591	3.1
109.10142	8.4
111.08051	3.2
111.11739	4.5
114.09186	2.7
121.10124	2.2
123.11678	3.0
126.38020	2.0
135.11739	3.5
149.13275	2.6
207.61055	3.0
252.82233	2.6
275.27420	3.8
293.28461	10.5
310.07117	3.8
310.31036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0912
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
51.18814	0.4
62.36826	0.5
70.74593	0.6
71.77303	0.5
117.55770	0.5
122.86375	0.6
157.53549	0.6
165.06970	0.9
167.04906	0.6
169.06523	1.0
193.06505	1.3
195.04445	3.4
195.08072	3.5
199.07591	3.7
202.19719	0.5
205.06483	0.7
208.05144	1.2
209.05978	2.7
211.07578	0.8
221.05902	1.2
222.06758	1.0
223.07515	9.0
224.08293	1.1
225.05478	1.2
225.09077	0.8
227.07019	17.6
236.04694	2.7
237.05405	0.7
240.07774	1.2
250.06296	1.2
251.07025	11.1
253.04965	5.9
253.08612	1.1
255.10240	1.0
264.04211	0.7
265.08487	0.8
268.07278	12.6
269.08179	2.3
273.92657	0.6
278.05682	0.6
278.92331	0.7
279.06567	6.5
280.07388	0.7
281.04553	1.0
281.07977	0.9
283.09500	4.8
293.03378	0.7
296.06647	8.7
300.25586	0.6
311.09137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0914
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
56.83798	0.4
57.50144	0.4
60.39962	0.3
68.99784	0.8
77.97975	0.4
92.20934	0.5
137.06026	0.5
140.91232	0.4
151.55084	0.4
152.06189	0.5
164.93623	0.4
165.07019	0.9
167.08549	0.6
169.06459	2.1
172.25830	0.5
180.05684	0.5
183.08113	0.6
193.06561	0.8
193.09279	0.4
195.04362	2.9
195.08070	3.1
197.05951	0.7
199.07495	4.1
205.06493	0.5
208.05145	0.8
209.05882	0.9
210.06697	0.7
211.07651	0.5
221.05997	1.6
222.06708	0.7
223.07542	9.5
225.05434	1.4
225.09122	1.8
227.07004	16.4
227.09065	0.7
236.04677	3.2
237.05492	0.5
238.06163	0.6
239.06972	0.8
240.07860	3.9
250.06250	2.3
251.06976	11.7
253.04958	4.5
253.08583	0.8
255.10088	2.0
264.04144	0.5
265.08618	0.8
267.06555	0.5
268.07278	11.9
269.08136	2.9
278.05798	0.6
279.06525	4.9
281.04391	0.9
283.09677	3.5
296.06760	8.0
304.90555	0.4
308.51059	0.4
311.09122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Picrotin
Peak:m/z	Relative Intensity
50.83715	2.4
57.86038	2.7
69.03441	3.5
72.76015	3.1
73.02908	3.2
85.02885	13.0
91.05464	4.2
97.02890	100.0
103.03945	5.6
107.04954	33.7
109.06483	3.8
111.04459	5.2
132.01085	3.3
137.05954	25.5
145.06458	3.9
147.04404	18.8
151.07495	4.1
153.05490	14.9
159.08028	13.4
165.05489	7.8
167.06992	21.7
169.06526	4.9
173.05951	20.5
176.04735	5.1
177.05495	5.1
179.07077	27.7
185.05913	4.0
187.07498	33.3
189.05464	4.8
191.07076	14.2
191.40881	3.8
195.06558	19.8
197.05960	6.8
197.08066	19.7
201.05447	3.7
203.06906	4.6
204.07767	5.6
205.08617	35.9
207.06496	4.4
209.08090	6.5
215.07034	5.9
219.06474	15.7
221.08060	22.1
229.08624	8.0
229.20297	3.9
231.06496	6.5
233.08057	22.7
236.06694	3.8
247.09644	7.4
251.08983	5.9
257.08121	4.6
260.06619	5.0
263.09152	18.4
275.09088	39.3
281.10184	7.5
293.10178	99.6
311.10941	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57026	0.3
51.68998	0.3
52.80689	0.3
56.82565	0.3
69.03432	4.9
75.82031	0.3
81.03429	3.2
85.02909	6.2
93.71608	0.4
97.02896	3.5
99.04451	0.6
107.04960	100.0
109.02900	3.1
118.39217	0.4
121.06507	3.7
127.03896	5.5
137.05995	1.4
144.60126	0.4
145.04907	0.6
149.05998	4.8
162.41982	0.3
283.95224	0.4
293.10254	1.8
294.10034	1.8
296.08646	1.5
311.10559	2.2
311.13135	0.6
327.34265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26628	0.5
56.05041	1.4
57.31301	0.5
70.02956	0.7
84.04032	0.8
84.04512	21.0
86.02439	16.1
87.05597	5.4
89.61107	0.7
99.05579	13.5
100.03995	12.1
101.07148	3.6
112.04031	1.0
117.06612	12.6
120.08135	1.2
121.08462	1.2
127.05003	1.7
128.03435	22.9
128.34639	0.6
132.08102	0.9
133.06047	0.8
133.08389	1.0
136.84137	0.7
145.06084	100.0
151.03932	3.6
179.07121	1.0
181.04936	1.2
265.12558	0.9
275.19040	0.8
293.12082	3.1
301.52252	0.7
311.12585	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64977	0.9
52.51786	1.1
52.84661	1.2
54.24207	1.0
54.86919	1.1
55.23441	1.3
56.05037	2.3
58.06613	1.6
69.03461	1.3
70.06582	2.1
79.64182	1.2
84.04527	20.7
86.02432	7.5
87.05578	5.7
92.20898	1.6
99.05608	12.2
100.03973	11.4
101.07169	1.9
117.06628	15.6
121.08422	1.9
127.05067	1.6
128.03448	22.4
133.06117	1.6
145.06090	100.0
146.06047	1.7
151.03923	5.6
181.04941	12.0
185.86139	1.4
190.08698	1.5
204.10170	2.9
231.52328	1.4
234.07648	1.8
265.12393	2.7
267.07718	7.7
293.12091	2.1
311.06699	2.2
311.12579	31.1
311.16858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64977	0.9
52.51786	1.1
52.84661	1.2
54.24207	1.0
54.86919	1.1
55.23441	1.3
56.05037	2.3
58.06613	1.6
69.03461	1.3
70.06582	2.1
79.64182	1.2
84.04527	20.7
86.02432	7.5
87.05578	5.7
92.20898	1.6
99.05608	12.2
100.03973	11.4
101.07169	1.9
117.06628	15.6
121.08422	1.9
127.05067	1.6
128.03448	22.4
133.06117	1.6
145.06090	100.0
146.06047	1.7
151.03923	5.6
181.04941	12.0
185.86139	1.4
190.08698	1.5
204.10170	2.9
231.52328	1.4
234.07648	1.8
265.12393	2.7
267.07718	7.7
293.12091	2.1
311.06699	2.2
311.12579	31.1
311.16858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.52930	1.7
54.43962	1.6
57.07059	2.0
60.92443	1.9
65.96238	1.9
69.07090	2.5
81.07036	2.6
82.70172	2.2
91.05472	4.2
95.08622	2.8
105.07029	4.8
109.06506	3.2
109.10136	2.3
115.05410	2.8
116.01138	1.9
129.06990	2.8
131.04871	2.6
133.06468	3.4
137.05988	75.2
149.05937	3.2
156.50850	2.0
157.73721	2.1
159.08028	4.1
161.05963	14.7
175.07652	3.6
187.07523	21.0
190.07767	3.4
191.08498	37.9
202.07741	2.3
208.08830	2.6
218.07263	8.0
219.08031	57.4
220.08781	4.3
233.09619	4.4
236.08267	15.6
247.07471	23.7
248.08571	3.6
249.05510	2.1
250.05995	2.2
251.10632	100.0
261.09131	4.5
264.07840	12.7
265.08514	2.8
269.08459	2.2
279.10181	70.4
280.10962	8.1
281.07999	3.3
293.20724	2.9
296.10309	12.7
311.12946	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
70.09012	1.9
81.28715	3.0
84.15943	2.0
86.09016	2.3
105.07044	4.6
109.06487	3.7
110.37944	2.2
115.21563	2.3
122.03661	3.1
131.08580	3.1
137.05983	97.9
155.04900	4.9
159.08041	10.0
161.05933	9.8
175.07474	3.8
187.07507	26.4
190.07797	4.2
191.08521	43.1
195.72195	2.5
208.08720	3.4
217.36116	2.2
218.07303	9.0
219.08060	80.0
221.17062	2.6
235.07481	2.6
236.08305	15.7
246.06656	2.6
247.07530	26.5
251.10666	100.0
253.08588	3.5
264.07764	14.2
265.08810	3.2
279.10165	64.9
280.10986	4.4
281.08127	5.6
296.10379	11.0
311.09241	4.5
311.12753	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Porphyrin
Peak:m/z	Relative Intensity
56.93274	1.1
57.01609	1.4
77.85004	1.3
77.94001	1.3
78.75941	1.3
79.05499	1.9
81.07048	2.3
90.93569	1.3
105.07021	8.9
109.06489	3.1
111.98835	1.4
115.05483	1.6
121.06519	1.9
122.03621	2.0
123.04386	6.0
129.06926	1.7
131.04958	3.4
133.06474	9.5
134.27380	1.6
135.04404	1.7
135.59593	1.5
137.05974	92.3
149.05986	10.2
155.04892	7.4
159.08025	8.4
161.05930	14.4
175.07452	1.8
187.07533	28.6
190.07843	3.7
191.08549	36.6
205.06567	2.4
208.08820	2.6
218.07225	8.6
219.08041	74.4
220.08827	3.2
233.05858	1.9
235.07359	2.1
236.08325	16.8
246.06639	1.7
247.07497	29.3
251.10649	100.0
253.08444	1.8
261.09094	2.3
264.07724	13.9
265.08612	6.4
268.10858	2.0
279.10126	74.4
279.13220	2.5
280.10910	1.8
281.08075	7.8
283.09637	2.6
283.12894	1.6
293.07990	5.8
296.10361	14.4
311.09283	5.4
311.12741	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Porphyrin
Peak:m/z	Relative Intensity
70.09012	1.9
81.28715	3.0
84.15943	2.0
86.09016	2.3
105.07044	4.6
109.06487	3.7
110.37944	2.2
115.21563	2.3
122.03661	3.1
131.08580	3.1
137.05983	97.9
155.04900	4.9
159.08041	10.0
161.05933	9.8
175.07474	3.8
187.07507	26.4
190.07797	4.2
191.08521	43.1
195.72195	2.5
208.08720	3.4
217.36116	2.2
218.07303	9.0
219.08060	80.0
221.17062	2.6
235.07481	2.6
236.08305	15.7
246.06656	2.6
247.07530	26.5
251.10666	100.0
253.08588	3.5
264.07764	14.2
265.08810	3.2
279.10165	64.9
280.10986	4.4
281.08127	5.6
296.10379	11.0
311.09241	4.5
311.12753	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.05516	1.4
57.07056	1.4
58.99612	1.4
58.99960	1.2
68.12130	1.4
69.07090	2.9
81.07065	2.4
91.10619	1.4
95.08643	6.0
105.03373	2.5
109.10164	2.3
113.92957	1.5
124.56996	1.4
135.04417	68.0
147.04448	2.8
161.09607	100.0
177.05458	11.0
203.10744	2.1
210.56894	1.6
298.39111	1.5
311.12869	2.6
311.16397	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.0
55.05511	20.1
55.47616	3.2
57.03435	7.1
57.78640	3.3
67.05508	51.5
67.85351	3.1
69.07063	65.9
71.04991	25.6
79.05508	39.7
81.03447	4.2
81.07059	68.0
83.04975	8.6
83.08621	23.4
85.06527	5.2
90.46571	3.4
91.05470	26.3
93.07038	77.0
93.99371	3.5
95.04962	15.2
95.08604	49.1
97.06530	60.5
97.10163	4.6
99.04444	34.6
99.08080	5.4
105.07028	39.1
105.94354	4.0
107.04971	17.6
107.08602	47.2
109.06496	14.6
109.10153	31.2
111.04446	13.2
111.08057	20.7
113.06019	20.1
117.07027	19.3
119.08543	29.7
121.06470	4.7
121.10166	31.0
123.08092	6.4
123.11710	7.6
125.05964	12.4
125.09696	5.8
128.06215	3.4
131.08554	22.7
133.06493	4.2
133.10133	23.6
135.08055	7.0
135.11684	77.7
137.06001	7.6
137.09637	7.4
137.85635	3.8
138.97583	3.5
139.03944	14.6
141.05458	15.3
143.08563	5.6
145.10118	21.7
147.08049	4.3
147.11702	20.4
149.09604	16.7
149.13243	8.0
151.11111	5.0
153.12752	23.0
153.64832	3.6
155.06944	4.1
155.08435	5.4
157.10106	20.8
159.08070	8.3
159.11670	20.0
161.09613	14.5
163.11179	19.7
169.10170	4.4
173.09607	4.6
173.13148	3.7
175.11136	6.2
177.12744	4.1
179.10718	5.5
183.11671	7.2
185.13330	4.0
187.11369	4.9
191.14259	3.7
195.11688	6.5
195.13762	13.8
201.16417	4.8
213.14824	7.6
219.17444	3.9
247.16914	16.3
257.19180	5.1
265.17874	15.9
269.19070	5.3
275.20102	48.6
293.17719	17.5
293.21396	5.1
311.18802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2001
Annotation	Longithorone B
Peak:m/z	Relative Intensity
50.66127	3.4
51.03913	3.8
55.01875	4.4
55.05513	5.6
61.79409	3.5
66.94529	4.4
67.05506	39.0
69.07072	15.9
71.04977	6.0
71.08627	18.6
71.72488	4.2
79.05491	21.5
79.25438	5.4
81.07053	50.9
82.07351	4.0
83.04988	10.6
83.08627	8.2
85.06559	6.6
91.05470	21.8
93.07063	34.1
95.04955	8.5
95.08592	48.8
97.10168	8.9
99.08073	8.3
100.90162	4.1
105.07048	35.7
107.04955	6.3
107.08585	30.2
109.10153	26.1
111.08056	7.4
119.08575	23.7
121.10167	11.1
123.08062	6.7
125.09665	5.5
131.08569	21.1
133.10143	10.3
135.08112	8.9
135.11684	8.9
137.09659	8.0
139.11194	17.3
143.08566	21.3
145.10121	9.7
147.07980	4.9
147.11655	9.2
151.11099	6.4
155.08591	5.4
157.10118	54.4
159.11684	17.3
161.09720	4.5
169.10124	6.6
171.11636	7.7
175.11140	9.2
177.12711	7.5
183.11700	7.9
189.85901	4.5
207.11746	5.3
209.13168	10.0
223.14874	5.3
235.14859	8.3
249.16382	9.7
250.17329	5.3
251.17929	18.4
267.17398	7.2
275.20090	23.6
276.20151	5.3
278.16663	9.0
293.18668	100.0
293.21719	10.4
294.21692	5.0
311.19934	99.2
311.23007	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2004
Annotation	Longithorone B
Peak:m/z	Relative Intensity
55.05507	2.6
57.07072	1.9
67.05498	19.6
69.07054	3.4
69.85367	1.9
70.52119	2.4
71.04977	4.9
71.08611	7.7
79.05473	12.2
80.27981	1.8
81.07056	14.9
83.08622	7.4
85.06525	7.8
91.05443	11.9
93.07053	19.5
95.04925	4.5
95.08604	22.8
95.68061	1.9
97.06477	3.6
97.10149	2.6
99.08047	8.1
105.07040	18.1
107.04941	2.7
107.08598	15.6
109.06504	4.2
109.10108	8.7
117.06982	7.8
119.08557	14.3
121.06504	8.9
121.10094	7.6
125.09617	2.7
130.85597	1.9
131.08559	15.1
133.10152	18.8
134.84065	2.6
135.08054	3.4
135.11646	8.2
137.09607	4.5
139.11168	2.5
143.08534	11.4
145.10146	16.7
147.08055	2.1
147.11649	8.8
151.11197	2.5
153.05508	2.1
155.08524	4.5
157.10069	11.4
159.08003	3.1
159.11671	16.7
159.12758	2.0
161.09569	3.3
163.11166	2.9
169.10049	8.9
171.11586	8.3
173.09583	3.1
173.13092	2.8
175.11145	3.5
177.12683	2.8
183.11612	4.4
185.13184	4.4
193.10062	3.2
195.11629	5.0
199.11096	3.0
199.14806	3.0
203.14204	2.7
205.10135	2.6
207.11685	3.6
209.11612	20.0
209.13281	9.2
213.16307	4.6
219.11719	2.4
221.13324	2.9
223.14816	3.9
235.14650	4.0
237.11177	7.8
239.17966	3.8
241.15764	3.9
249.16258	4.8
251.17798	13.4
253.15784	2.6
265.19382	7.7
269.18848	13.2
275.19986	13.1
275.22577	2.0
283.20471	8.4
293.18448	22.8
293.21390	9.8
294.21375	4.5
311.16422	4.5
311.19894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2002
Annotation	Longithorone B
Peak:m/z	Relative Intensity
55.01881	2.7
55.05507	9.4
57.03446	4.7
67.05505	16.4
69.07069	11.2
72.08131	5.0
79.05495	13.4
81.03396	2.7
81.07066	28.1
83.04980	3.4
83.08618	3.8
86.27279	2.7
91.05465	18.3
93.07047	26.5
95.04951	4.5
95.08609	23.6
95.43929	2.4
97.06544	5.1
97.10165	4.3
99.04455	2.6
99.08083	5.8
99.69705	2.4
105.07031	32.4
107.08600	29.4
109.06522	3.6
109.10164	13.4
110.74891	2.3
111.08084	16.6
117.07018	15.2
118.18283	2.5
119.08585	19.6
121.10144	13.4
123.08057	6.2
129.07039	3.2
131.08611	18.3
133.10124	22.5
135.08061	4.6
135.11670	11.5
135.44383	2.4
137.09630	5.4
143.08559	14.9
145.10132	19.2
147.08029	11.5
147.11664	15.6
149.09616	15.6
152.45918	2.6
155.08546	4.4
157.10133	20.3
159.07973	2.9
159.11687	14.9
161.09610	12.1
163.11162	9.5
169.10011	3.1
171.11694	4.2
173.13283	3.1
175.11194	4.9
181.10149	3.1
181.74091	2.7
183.11647	10.5
187.11197	3.0
193.10139	5.6
195.11751	4.9
197.13109	3.5
201.12689	9.1
203.10667	3.3
209.13330	5.5
213.12672	3.2
221.13185	3.0
223.14894	3.2
235.14774	5.6
251.18004	14.8
275.20059	17.5
280.32297	2.6
293.18854	36.1
311.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2004
Annotation	Longithorone B
Peak:m/z	Relative Intensity
54.44051	2.2
54.46860	1.8
54.99540	2.1
57.41739	2.1
59.21827	2.2
65.46881	2.0
67.05492	6.1
68.10220	2.3
69.07072	3.4
71.04987	5.0
79.05499	11.7
81.07053	15.0
85.06509	3.5
91.05470	11.8
93.07059	16.9
95.08600	12.8
97.06521	4.3
105.07025	21.1
107.08582	22.7
109.06509	2.9
109.10138	4.6
111.08096	14.4
117.06998	5.0
119.08568	14.0
121.10146	10.4
123.08084	4.4
129.06956	5.2
131.08560	16.2
133.06427	2.3
133.10129	14.2
135.08035	11.1
135.11659	4.5
137.09589	4.5
143.08583	17.4
145.10139	18.2
147.08037	5.4
147.11661	10.1
149.09624	5.6
151.11160	2.5
155.08562	5.4
157.10121	43.3
159.11674	15.5
161.09579	4.6
161.13297	3.6
169.10089	4.8
171.11649	10.2
173.09558	4.1
173.13293	4.5
175.11168	6.1
181.10150	5.6
183.11696	9.2
185.13194	4.0
187.11255	4.0
195.11748	9.8
197.13251	4.9
198.51042	2.8
201.12752	5.8
207.11806	4.3
209.13225	5.7
211.11064	3.7
211.15033	3.0
220.05641	2.5
223.14874	4.8
227.14282	2.8
229.12312	2.7
235.14764	5.4
237.12671	3.0
237.16353	3.0
239.14391	3.3
239.17819	2.7
249.16362	3.7
249.30782	2.6
251.17982	9.9
253.15833	6.1
265.19467	5.2
267.17389	3.6
269.18964	4.6
275.20151	5.0
279.21234	2.6
283.20605	14.3
293.18848	59.2
311.09503	8.2
311.12753	4.3
311.19995	100.0
311.23135	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01880	81.1
55.05522	49.6
57.03436	4.7
57.07062	3.0
64.30496	2.5
67.05508	47.9
67.88767	2.4
69.07059	22.7
71.04978	4.2
71.08628	10.8
79.05502	25.2
81.03403	12.4
81.07058	42.9
83.04993	9.7
83.08617	15.3
88.92240	2.6
89.02890	2.3
91.05486	19.4
91.20930	2.3
93.07053	32.4
95.04971	18.8
95.08603	33.1
97.06495	3.7
97.10173	15.7
99.08106	4.0
105.07019	11.4
107.04980	20.2
107.08589	16.4
109.06512	12.0
109.10158	22.0
111.04420	4.7
111.08068	5.7
117.06980	9.0
118.72962	2.3
119.08567	24.1
121.06498	4.5
121.10123	13.1
123.08083	10.8
123.11653	3.7
125.09626	100.0
131.08554	9.5
133.10106	3.8
135.08060	21.5
137.09563	20.5
139.11172	2.5
141.07042	3.2
141.09116	3.6
145.06477	2.9
145.10095	10.4
147.08104	3.3
147.11794	3.1
149.09625	5.8
149.13242	3.3
151.11174	42.4
153.12662	2.8
159.11673	5.1
161.09602	4.1
163.11168	3.1
167.10660	4.4
177.12762	27.1
179.10690	2.5
181.12218	10.0
191.14204	5.0
195.13908	4.7
229.19402	4.3
247.20560	12.0
257.18909	14.8
265.21667	3.0
275.20102	40.9
293.21057	74.5
311.12720	2.7
311.22275	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01636	6.4
55.01881	89.3
55.05296	2.9
55.05526	40.0
57.03444	4.5
57.07082	5.5
58.87919	3.8
65.94068	3.8
67.05508	56.9
69.07069	26.0
71.05001	4.4
71.08629	7.1
77.21295	3.7
79.05495	24.4
81.03432	4.8
81.07061	46.9
83.04978	16.2
83.08621	21.3
85.06589	3.5
91.05479	23.5
92.99296	4.2
93.07050	28.2
95.04961	14.8
95.08604	54.6
97.06527	6.3
97.10178	8.8
99.08114	5.5
100.70193	3.8
101.30652	3.2
105.07063	6.0
107.04967	22.6
107.08592	21.2
109.06468	5.6
109.10163	27.5
111.04387	5.2
112.51181	3.9
113.33543	3.6
113.97195	3.5
117.07023	6.2
119.08581	17.4
121.06559	5.9
121.10152	24.4
123.08040	5.3
125.08788	5.4
125.09634	100.0
131.08554	13.8
133.10123	7.0
134.71533	3.2
135.08083	16.7
135.11678	6.6
136.30943	3.8
137.09628	16.4
139.44179	3.8
141.99106	3.6
144.67123	3.9
145.10095	6.6
151.11137	32.3
159.11722	4.2
163.11049	4.1
173.13315	5.2
177.12782	20.2
181.12221	6.6
191.14302	6.5
195.13817	5.8
229.19525	7.9
247.20549	6.8
257.19043	15.9
275.20081	55.8
293.21057	73.0
311.22250	9.0
311.25824	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.11621	2.3
54.31297	2.3
55.01880	21.9
55.05516	19.5
57.03447	5.0
57.07079	3.2
66.46617	3.4
67.05511	33.8
69.07063	20.1
71.04989	5.4
79.05488	30.2
81.07072	54.1
83.04993	32.6
83.08624	24.5
88.20978	2.9
91.05473	20.8
93.07035	29.0
95.04967	12.3
95.08586	25.4
97.06532	37.2
97.10162	31.9
99.08087	7.4
103.18378	2.9
105.07025	26.2
107.08593	95.9
109.06516	13.5
109.10135	15.6
111.04456	4.5
111.08087	11.8
113.05983	7.6
117.07031	4.6
119.08581	13.2
121.10182	21.7
123.08032	6.2
123.11689	4.3
125.06021	5.1
125.09641	67.4
131.08557	12.4
133.10115	12.4
135.11713	18.0
137.09619	5.7
139.11203	6.5
143.10599	4.4
145.10127	12.8
147.11713	6.8
149.09641	12.6
153.12737	7.0
159.11674	5.6
163.11162	13.1
173.13229	3.2
177.12729	6.4
181.12253	3.4
189.11220	18.8
195.13745	4.1
213.14879	3.8
223.13333	19.5
229.19554	3.8
251.16316	3.7
257.19089	4.8
275.20059	76.9
293.21066	100.0
311.16159	6.6
311.22012	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.3
57.03432	3.0
57.07080	9.3
67.05518	13.7
69.07074	24.4
71.08624	6.2
72.34784	1.6
79.05497	3.6
81.07063	22.9
82.51718	1.5
83.08630	19.4
93.07039	8.7
95.08619	18.0
95.36961	1.4
97.10164	8.0
105.07025	1.4
107.08599	10.5
109.06499	2.9
109.10171	12.0
111.04454	21.3
111.08125	3.9
111.11642	1.6
119.08583	1.6
121.10136	17.6
123.08071	8.8
123.10843	1.8
123.11656	11.8
125.05992	17.5
125.09662	1.6
127.07541	3.9
131.08595	2.0
133.10136	6.9
135.08034	3.0
135.11703	9.4
137.09680	1.5
137.13280	2.4
139.07524	2.0
141.91551	1.7
145.10143	6.5
149.09669	1.5
149.13255	11.6
151.11237	2.5
153.12691	2.6
159.11618	5.9
163.11171	10.8
163.14885	2.2
167.10654	3.0
173.13293	1.8
177.12746	8.6
181.12262	8.2
195.13766	8.9
205.19548	9.5
209.15326	2.3
215.17960	6.1
233.18903	16.7
248.81593	1.8
251.20047	27.0
265.24780	1.6
279.19550	100.0
293.21094	7.6
297.20578	31.8
311.25793	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.21379	4.0
55.01880	4.9
55.05513	30.8
57.03466	4.9
57.07087	7.2
67.05511	57.9
69.07067	23.6
71.05006	5.1
71.08630	69.2
79.05502	40.9
81.07066	52.7
83.04961	6.9
83.08614	78.5
85.06525	7.5
88.12214	4.7
91.05487	33.0
91.70396	4.6
93.07048	45.5
95.04960	31.2
95.08617	54.3
97.06506	7.4
97.10180	20.5
99.08099	47.3
105.07024	21.4
107.08608	35.8
109.06496	6.3
109.10175	29.1
111.04442	9.0
111.08085	28.4
117.07057	6.0
119.08593	19.1
121.10146	25.1
122.61989	5.2
123.08074	5.8
125.09612	10.6
130.53566	4.8
133.10100	41.5
135.11685	34.6
137.09502	6.7
139.11177	9.3
145.10139	9.9
149.09622	10.7
149.13264	9.4
155.10641	5.3
157.08646	6.2
159.11687	31.5
161.09602	8.2
163.11153	29.4
173.09598	6.2
173.13322	6.9
175.09654	36.9
175.11101	14.8
177.12779	27.9
181.12198	10.0
189.11269	6.4
194.52307	5.1
201.52782	5.2
202.33067	5.3
209.11729	28.4
223.13272	11.0
224.98985	4.6
225.01610	5.4
247.20601	12.0
257.18933	22.9
275.20001	100.0
293.20721	65.9
294.21542	29.4
311.12888	9.1
311.21976	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
55.01879	2.4
55.05518	10.4
65.02572	2.0
65.28073	1.6
66.29034	1.7
67.05505	37.5
69.03425	2.7
69.07072	9.2
71.04983	2.7
71.08636	45.8
79.05499	13.7
81.03436	2.4
81.07070	20.7
83.04984	14.0
83.08620	11.7
85.02910	8.6
85.06547	2.6
91.05476	12.8
92.76900	1.8
93.07056	22.2
95.04958	8.9
95.08616	42.1
97.06552	9.6
97.10152	11.5
97.76427	2.1
99.08089	28.2
105.07024	10.5
107.08573	9.2
109.06511	3.5
109.10160	47.6
111.08026	2.2
119.08590	11.4
121.10150	4.6
123.08049	3.6
125.09628	4.6
127.11144	2.3
133.10114	11.4
135.08043	3.2
137.09633	13.8
139.11172	46.6
147.11697	2.2
149.09578	4.3
151.11182	26.0
155.10635	22.6
161.09621	4.5
163.11240	3.3
165.12694	3.1
173.11714	11.6
173.13126	2.1
177.12743	12.0
179.10687	3.4
191.14185	3.0
195.13818	8.2
247.20564	2.6
257.18948	4.2
275.20050	23.6
276.20389	3.0
293.21042	100.0
311.22134	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01872	6.9
55.05516	20.5
57.07080	66.9
58.07416	19.5
67.05507	23.2
69.07078	25.9
71.04958	3.1
71.08633	5.4
79.05494	19.2
81.03403	5.4
81.07062	38.2
82.07397	5.9
83.04983	4.6
83.08614	20.7
84.91340	3.1
85.02922	5.8
91.05470	13.4
92.21579	5.8
93.07033	20.3
94.55615	2.8
95.04974	41.9
95.08603	35.4
97.06516	4.8
97.10199	4.7
105.06992	13.1
106.88722	3.2
107.08608	14.1
107.32964	3.1
109.06493	5.9
109.10149	17.8
111.04444	28.6
111.08056	14.0
117.07014	3.8
119.08556	13.2
120.23159	2.8
121.10159	15.9
122.10487	4.8
123.08046	12.7
125.09647	5.4
127.11173	17.8
128.11522	13.0
131.08559	13.2
133.10132	6.6
135.11739	7.0
137.09685	3.5
145.10136	4.7
147.11636	3.9
148.12022	3.9
149.09627	31.5
150.09966	21.1
151.11186	7.5
155.10599	4.6
156.10205	4.6
163.11198	16.4
164.11476	5.1
173.09929	3.3
177.12738	3.3
177.99190	3.0
179.14308	5.8
180.14598	11.0
223.13316	17.2
230.19902	4.6
234.19344	3.6
240.69051	3.2
242.67589	3.3
247.20642	5.9
248.20898	77.9
258.19150	4.0
260.96161	3.4
275.20087	21.0
276.20428	55.9
280.00778	3.9
293.20706	100.0
294.21478	39.2
299.19400	3.6
311.23837	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.9
65.07121	2.5
66.13942	2.4
67.05524	24.3
68.63833	2.5
69.07067	10.8
79.05485	20.8
81.07061	44.3
83.05009	3.0
83.08628	19.2
83.11797	2.8
91.05472	21.2
93.07030	36.0
95.04958	3.5
95.08597	42.2
97.10153	3.7
99.08072	4.6
100.07635	6.2
105.07020	23.7
107.08616	25.7
109.06476	3.3
109.10167	22.6
111.08198	3.1
114.09163	4.2
117.07014	11.4
119.08569	29.3
121.10138	59.6
123.08089	6.0
123.11730	5.5
129.07001	3.8
131.08542	28.0
133.10141	55.3
135.08070	3.6
135.11711	35.3
137.05980	13.0
137.09654	4.5
145.10139	26.7
147.11723	24.0
149.09581	7.5
149.13277	11.9
151.11191	3.6
153.16158	3.1
154.12239	3.5
157.10112	15.7
159.11662	12.8
161.09590	18.1
163.11177	4.8
171.11700	6.5
173.78848	3.1
175.11180	12.8
181.10092	4.9
187.14871	3.7
189.16273	3.9
191.50198	3.0
197.13245	3.5
199.11156	3.9
199.14821	18.2
203.17906	3.2
213.16412	38.7
215.17929	11.6
219.07979	3.4
223.14795	16.3
231.17409	34.1
233.19014	17.0
241.15866	29.6
248.20186	31.3
251.10707	3.4
258.18567	23.7
259.16931	50.4
276.19574	46.8
277.18021	20.1
277.78967	2.9
281.08252	4.2
294.20724	15.1
311.09268	6.5
311.12732	28.5
311.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	5.0
55.90393	2.9
57.89571	3.4
67.05505	31.4
69.07063	16.5
70.06068	3.3
70.31434	3.3
79.05505	32.4
81.07069	51.9
83.08611	5.2
91.05470	25.4
93.07043	36.3
95.04990	5.8
95.08605	40.4
100.07584	4.7
105.07037	22.7
107.08598	40.7
109.00702	4.7
109.10152	18.8
117.07000	5.8
119.08566	26.3
121.06454	5.3
121.10138	73.6
130.06526	21.4
131.08624	33.9
133.10141	57.0
135.08057	5.0
135.11702	41.2
137.05957	28.4
137.09634	5.7
145.10088	26.8
147.08081	6.7
147.11711	28.1
149.09644	9.1
149.13220	4.7
157.10123	24.8
159.11656	15.8
161.09608	25.0
163.11235	5.6
166.04964	70.1
167.97398	4.0
171.11740	8.0
175.11130	7.3
181.10083	5.9
199.14861	15.6
203.17903	7.3
208.05254	3.8
213.16460	42.1
215.17790	13.4
218.39902	4.0
219.08063	18.0
223.14772	7.8
231.17479	27.1
233.19084	9.1
241.15814	25.2
248.20074	34.3
249.18501	6.5
251.10609	8.3
258.18549	21.6
259.16873	51.1
264.07727	5.1
272.82397	4.0
276.19656	39.3
277.18042	8.6
279.10114	19.0
293.21014	4.1
294.20609	20.7
296.08496	5.9
311.09219	5.9
311.13120	43.7
311.23267	100.0
311.91751	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.21895	2.5
53.18958	2.5
53.23316	2.0
55.01878	32.8
55.05515	16.9
57.03442	2.5
57.07075	6.2
60.85876	2.7
67.05508	40.7
69.07069	68.5
71.04984	3.2
71.08632	3.1
76.06144	2.3
79.05495	19.9
81.07060	51.8
83.04971	4.3
83.08622	38.6
87.41302	2.5
89.77670	2.7
92.28358	3.0
93.07034	36.2
94.29873	2.7
95.08607	41.9
97.06501	12.4
97.10174	10.5
99.08088	3.7
107.08594	41.7
109.10169	25.6
111.08102	5.2
113.09600	3.6
119.08569	3.2
121.10133	28.2
123.11691	3.5
135.08110	6.4
135.11685	35.5
137.09715	3.8
137.13278	3.9
149.13243	5.6
153.12761	48.5
161.13235	3.2
163.11183	5.1
233.22694	4.7
243.21098	11.2
251.23766	3.9
261.22125	18.1
279.23154	100.0
311.26010	15.4
315.90604	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.02006	1.4
50.03320	1.4
51.77710	1.3
55.01864	2.5
55.05518	35.3
57.03444	21.6
57.03687	2.7
57.07084	18.1
67.05506	31.1
67.12203	1.6
67.66776	1.5
69.06702	2.6
69.07066	52.5
71.04987	3.5
71.08618	9.1
79.05501	13.6
81.07059	34.4
83.08616	36.5
85.06532	3.6
91.05462	7.3
93.07034	22.4
95.04970	7.5
95.08606	30.3
96.08902	2.0
97.06518	4.1
97.10155	19.8
99.08090	3.6
101.02968	1.7
107.04903	1.7
107.08593	21.7
109.06519	2.0
109.10145	15.6
111.04427	7.7
111.08143	2.0
111.11714	2.4
119.08563	6.6
121.10135	16.8
123.07973	2.2
123.11684	4.2
125.09622	8.9
135.11685	10.8
145.10097	2.3
147.11554	2.3
149.09575	2.5
149.13258	3.6
154.04453	1.8
159.11713	2.4
163.11139	2.0
184.95604	1.9
188.64920	1.6
196.73936	1.6
211.11731	1.6
248.21100	1.6
252.22977	2.4
275.19968	6.8
276.20486	2.6
276.65897	2.0
293.20605	13.8
293.26633	7.0
294.21466	11.8
311.12701	2.2
311.22684	3.4
311.25735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.12870	1.2
55.01863	2.1
55.05519	35.3
57.03443	13.7
57.06865	1.1
57.07085	16.6
67.05499	8.8
69.06706	1.6
69.07072	40.5
71.08636	13.1
76.69388	1.4
79.05478	5.7
81.07053	9.1
83.04985	2.3
83.08133	1.8
83.08619	35.3
85.10176	1.7
93.07014	8.7
95.08595	10.5
97.06517	2.5
97.10159	24.0
105.07002	1.4
107.08588	8.0
109.10152	3.2
111.08047	1.7
111.11694	6.4
121.10117	5.8
125.09599	5.6
131.42305	1.5
135.11658	1.8
139.11218	1.6
144.60338	1.5
167.10669	6.0
217.19080	1.3
235.19649	1.6
293.21140	15.2
309.58514	1.6
311.22250	9.1
311.25760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12870	1.2
55.01863	2.1
55.05519	35.3
57.03443	13.7
57.06865	1.1
57.07085	16.6
67.05499	8.8
69.06706	1.6
69.07072	40.5
71.08636	13.1
76.69388	1.4
79.05478	5.7
81.07053	9.1
83.04985	2.3
83.08133	1.8
83.08619	35.3
85.10176	1.7
93.07014	8.7
95.08595	10.5
97.06517	2.5
97.10159	24.0
105.07002	1.4
107.08588	8.0
109.10152	3.2
111.08047	1.7
111.11694	6.4
121.10117	5.8
125.09599	5.6
131.42305	1.5
135.11658	1.8
139.11218	1.6
144.60338	1.5
167.10669	6.0
217.19080	1.3
235.19649	1.6
293.21140	15.2
309.58514	1.6
311.22250	9.1
311.25760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05515	26.9
57.03445	17.9
57.07078	14.8
67.05508	17.1
69.07066	49.8
69.39319	1.6
71.08620	8.1
79.05498	8.9
81.07059	30.1
81.86310	2.1
83.08620	27.4
93.07063	4.2
95.08609	25.1
97.06516	3.5
97.10176	17.8
99.08121	1.8
107.08594	9.2
109.10154	8.7
111.11771	1.7
121.10144	8.8
123.11671	2.9
135.11682	8.1
139.11182	2.2
149.13239	3.4
163.14862	2.5
179.93275	1.5
237.22192	2.6
296.08734	1.9
311.10086	2.0
311.20184	4.1
311.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	37.7
57.03433	12.0
57.07092	14.7
67.05517	20.1
69.07070	49.9
71.04996	2.0
71.08631	3.8
75.99599	1.5
76.71288	1.5
79.05491	9.3
81.07060	33.5
83.08611	28.0
85.06564	2.7
92.56425	1.8
93.07047	12.0
95.08602	24.7
97.06521	7.4
97.10165	15.9
103.49117	1.8
105.07027	2.2
107.08615	10.3
109.10155	11.0
111.08100	2.7
111.11736	2.8
119.08541	1.9
121.10139	13.9
123.11747	3.4
125.09659	2.2
133.10146	1.9
135.11710	7.0
149.13304	3.7
155.73277	1.8
162.90773	1.6
225.56433	2.0
237.22171	3.4
251.01486	1.8
251.10657	3.9
259.16681	1.7
293.21002	3.1
293.39981	1.8
311.12518	2.1
311.25851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13957	2.5
55.01878	25.5
55.05511	21.2
56.49478	2.5
57.03432	3.0
57.07078	12.9
62.58097	2.9
67.05508	30.2
69.03419	3.2
69.07069	64.3
71.08628	7.9
71.90810	3.0
79.05499	15.7
81.07072	45.4
83.04982	14.2
83.08614	52.8
91.05438	5.0
93.07040	35.6
95.08595	45.6
97.06527	13.5
97.10137	5.6
100.53352	2.8
105.07032	5.3
107.08607	31.0
109.10147	24.1
111.08079	8.1
113.09673	2.7
119.08679	4.3
121.10136	31.8
123.11681	6.6
125.09657	3.4
125.96513	2.9
131.08540	4.9
133.10167	6.2
135.11693	34.9
137.00250	3.1
145.10049	4.2
147.11671	5.0
149.09598	7.1
149.13249	7.9
151.14870	3.8
153.12732	39.7
153.77409	3.5
163.11099	5.4
173.13225	4.1
181.15860	5.4
185.13063	3.3
187.29233	3.0
205.65085	3.5
215.92223	3.2
219.21091	3.5
233.22629	3.3
243.21097	4.7
251.23668	4.0
261.22119	18.7
279.23169	100.0
279.26071	5.5
293.25851	7.2
311.23691	3.9
311.26935	38.7
311.30676	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.9
62.61986	3.7
67.05499	32.7
69.07063	14.0
79.05474	25.2
81.07066	49.2
83.08609	18.0
85.06533	5.6
86.53948	3.6
91.05486	16.1
93.07039	39.0
93.07537	4.2
95.08602	30.0
97.10174	17.2
105.07053	7.7
107.08606	27.2
109.10158	17.4
111.08044	4.4
119.08585	7.7
121.10138	68.6
123.11703	4.4
125.09647	4.4
131.08609	6.5
133.10112	17.2
135.11674	51.8
137.09593	7.8
139.11134	4.6
145.10089	8.7
147.11674	19.2
149.13240	8.4
151.11169	8.7
159.11687	14.3
161.13298	4.9
163.11154	4.8
165.12741	5.4
168.76398	3.9
171.11720	5.8
177.12833	4.6
198.82559	3.3
211.18036	3.4
259.20566	4.8
275.20120	5.4
276.20383	5.6
276.23102	4.5
277.21625	55.4
294.21426	9.1
294.24268	100.0
311.10550	6.3
311.23947	7.7
311.26993	38.1
312.45343	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0502
Annotation	Aristolochic acid II
Peak:m/z	Relative Intensity
58.06612	0.4
80.40779	0.2
81.82375	0.2
86.06076	1.4
87.04475	1.9
92.21554	0.3
93.07029	0.3
104.07089	2.1
107.04962	1.0
121.02869	7.2
121.03701	0.4
121.06532	0.4
137.05963	0.5
141.74680	0.2
151.07581	0.3
151.32680	0.3
176.07114	0.5
177.07883	1.6
178.08705	1.0
183.43500	0.3
183.60594	0.3
192.10178	4.3
202.85588	0.3
209.04494	4.2
210.05574	0.3
212.07024	0.3
220.06105	1.3
220.13362	1.6
222.05501	2.7
224.07138	1.6
226.08594	0.3
232.09703	0.4
235.07350	0.3
238.05032	1.1
240.06592	1.3
240.10266	1.5
241.11069	1.5
248.09187	0.4
250.08823	0.3
252.10252	0.4
267.10138	0.5
268.06052	37.5
268.09671	5.5
269.10309	1.7
276.08713	0.6
279.09070	0.6
280.06918	0.2
280.09793	1.2
281.10660	0.3
282.11115	0.3
284.09525	0.4
284.12891	1.4
294.04105	2.2
294.17004	0.3
296.09189	1.5
296.22128	0.3
297.09927	15.9
310.10925	0.3
312.05099	45.4
312.08847	5.8
312.12274	100.0
330.65115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0864
Annotation	Furoparadine
Peak:m/z	Relative Intensity
53.07292	0.1
57.03434	0.2
61.87686	0.1
64.75707	0.1
66.12965	0.2
69.03424	0.2
69.07070	0.2
69.28782	0.1
70.06589	0.7
82.50154	0.2
85.02908	1.9
87.04486	0.2
90.89710	0.1
97.02863	0.2
102.29691	0.1
105.07001	0.2
107.04938	0.2
116.07111	0.2
121.06489	0.4
123.82845	0.2
125.97009	0.2
127.03878	0.6
145.04974	0.8
147.04382	0.2
150.05542	0.2
163.05972	0.2
169.13412	0.3
197.12831	0.3
219.26477	0.2
220.24707	0.2
255.08919	0.3
256.09604	0.9
256.98547	0.2
266.08084	3.6
268.06058	0.9
268.09689	1.3
279.05151	0.2
282.07663	0.2
284.09152	9.9
293.79080	0.2
294.07541	2.8
294.49863	0.2
297.09921	2.6
312.08640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0864
Annotation	Aristolactam E
Peak:m/z	Relative Intensity
51.02303	0.4
55.79830	0.4
62.47866	0.4
62.73125	0.4
78.59605	0.4
170.20348	0.5
201.30591	0.5
204.07729	0.4
209.04431	0.5
225.07895	2.6
238.05026	0.5
238.08632	1.1
240.10078	1.0
247.45998	0.4
253.07285	5.5
257.06720	1.0
268.09665	60.6
284.09183	3.5
297.09964	1.0
312.08649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	2.7
59.54342	0.3
62.42052	0.3
63.49394	0.4
63.60408	0.3
86.88224	0.4
87.04434	0.5
137.05981	0.7
138.06406	0.4
190.08658	2.4
205.10956	0.8
206.11804	0.7
209.04436	0.8
210.09190	0.7
224.07039	0.7
225.07910	2.1
237.08728	0.5
238.05069	0.6
238.08632	1.4
240.10162	1.5
252.10393	0.6
253.07278	6.7
253.10954	1.6
257.06876	0.9
268.09677	63.6
268.13074	2.9
279.08939	0.6
282.07535	0.6
284.09161	3.9
296.09103	0.4
297.10016	4.9
312.08688	100.0
312.12354	11.7
312.16074	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07292	0.1
57.03434	0.2
61.87686	0.1
64.75707	0.1
66.12965	0.2
69.03424	0.2
69.07070	0.2
69.28782	0.1
70.06589	0.7
82.50154	0.2
85.02908	1.9
87.04486	0.2
90.89710	0.1
97.02863	0.2
102.29691	0.1
105.07001	0.2
107.04938	0.2
116.07111	0.2
121.06489	0.4
123.82845	0.2
125.97009	0.2
127.03878	0.6
145.04974	0.8
147.04382	0.2
150.05542	0.2
163.05972	0.2
169.13412	0.3
197.12831	0.3
219.26477	0.2
220.24707	0.2
255.08919	0.3
256.09604	0.9
256.98547	0.2
266.08084	3.6
268.06058	0.9
268.09689	1.3
279.05151	0.2
282.07663	0.2
284.09152	9.9
293.79080	0.2
294.07541	2.8
294.49863	0.2
297.09921	2.6
312.08640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86708	0.9
59.18245	1.0
60.19711	0.8
69.15623	0.9
70.06618	0.9
72.13922	1.0
72.49220	1.1
73.02896	1.3
99.00803	1.2
99.05573	0.9
100.03986	1.3
117.06662	1.2
121.06435	2.0
128.03429	1.5
129.03806	1.5
131.04889	1.7
133.06488	2.3
137.06009	9.3
140.03535	1.2
143.04942	1.3
145.06114	10.5
146.06413	5.4
148.08698	4.6
149.05968	5.5
151.07535	24.4
160.08688	2.5
161.05972	8.7
164.07050	28.4
175.07498	1.8
178.08284	9.3
178.09885	25.7
179.07045	22.0
188.07158	1.4
191.07042	1.2
191.33347	1.0
194.08093	1.3
194.65591	1.2
196.09662	7.9
202.08595	7.0
204.06494	4.3
206.08125	16.8
209.09181	5.2
212.07176	1.3
214.97131	1.3
218.08249	1.2
220.09708	5.3
222.07654	4.5
230.08133	21.3
234.07573	1.6
246.07724	4.5
248.09238	10.9
258.07681	2.1
276.08667	9.6
294.09708	19.9
294.14450	2.6
296.24207	1.0
305.55157	1.1
312.10767	100.0
312.15485	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74699	0.5
53.30878	0.5
54.96333	0.5
57.39919	0.5
61.02905	1.0
69.74577	0.5
81.03402	0.6
86.09694	1.3
97.02894	0.9
99.00831	1.0
120.01151	6.4
127.03899	0.7
143.51982	0.7
150.09148	6.3
164.29161	0.6
167.06989	0.7
177.07751	1.3
178.08615	23.1
179.08878	2.2
180.85118	0.7
186.42253	0.7
190.08620	5.0
191.05643	1.0
192.06499	1.0
193.01964	0.7
200.07059	0.7
201.07820	2.8
202.08617	1.2
203.06995	1.3
204.06548	13.2
204.10048	1.1
206.08163	6.8
209.64919	0.8
218.08058	2.6
219.08862	4.6
220.09663	2.7
230.08063	2.9
232.09532	1.0
234.07515	0.8
236.09148	27.7
240.06470	0.9
248.09152	2.3
250.10698	3.0
258.07565	2.9
266.10205	10.8
276.08508	0.7
294.06436	1.1
294.09641	13.1
295.04761	1.2
308.94946	0.7
312.07733	4.1
312.10706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	Aeshynomate
Peak:m/z	Relative Intensity
52.74699	0.5
53.30878	0.5
54.96333	0.5
57.39919	0.5
61.02905	1.0
69.74577	0.5
81.03402	0.6
86.09694	1.3
97.02894	0.9
99.00831	1.0
120.01151	6.4
127.03899	0.7
143.51982	0.7
150.09148	6.3
164.29161	0.6
167.06989	0.7
177.07751	1.3
178.08615	23.1
179.08878	2.2
180.85118	0.7
186.42253	0.7
190.08620	5.0
191.05643	1.0
192.06499	1.0
193.01964	0.7
200.07059	0.7
201.07820	2.8
202.08617	1.2
203.06995	1.3
204.06548	13.2
204.10048	1.1
206.08163	6.8
209.64919	0.8
218.08058	2.6
219.08862	4.6
220.09663	2.7
230.08063	2.9
232.09532	1.0
234.07515	0.8
236.09148	27.7
240.06470	0.9
248.09152	2.3
250.10698	3.0
258.07565	2.9
266.10205	10.8
276.08508	0.7
294.06436	1.1
294.09641	13.1
295.04761	1.2
308.94946	0.7
312.07733	4.1
312.10706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47952	0.5
56.86668	0.6
57.03408	0.8
61.02914	1.3
66.34974	0.5
69.03402	4.0
70.06586	0.7
71.04975	0.7
73.02888	0.9
81.02575	0.7
81.03403	1.2
85.02908	10.3
87.04443	3.2
87.66753	0.7
97.02905	4.5
99.04424	1.5
104.07087	0.8
109.02829	1.6
121.06523	4.5
127.03880	2.9
132.05583	32.3
132.06526	3.1
133.08578	1.0
136.06107	3.1
145.04968	0.7
150.06624	100.0
151.07495	3.2
153.16856	0.6
280.10382	1.3
283.68591	0.7
294.13156	0.8
312.11768	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.3
85.02895	0.2
90.28790	0.2
103.70855	0.2
104.83150	0.2
107.04958	0.3
112.66460	0.2
115.03924	0.3
115.07544	0.2
119.69996	0.2
121.02848	7.6
137.05978	1.0
138.06342	0.4
151.07564	0.9
164.07057	0.3
166.06087	0.4
176.06985	0.9
177.07843	2.0
179.14529	0.2
192.10229	3.9
201.83102	0.2
202.87892	0.2
216.60738	0.2
220.08270	0.3
232.57336	0.2
235.07306	0.4
237.08655	0.8
240.10236	0.8
241.10922	1.3
243.09927	0.2
248.07600	0.3
252.10312	1.3
264.06818	0.2
265.08188	0.2
266.08279	0.4
267.08731	0.3
268.09686	4.4
269.10416	2.0
279.09070	0.9
280.10175	1.4
284.09177	1.2
284.12787	1.4
294.07758	0.3
294.11087	0.7
296.09238	0.4
297.06659	0.7
297.09933	17.4
312.08856	5.7
312.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1228
Annotation	Acronidine
Peak:m/z	Relative Intensity
54.53073	0.5
70.06590	0.6
74.53994	0.6
78.30669	0.4
121.02844	7.7
121.06512	0.7
137.05946	0.6
151.07579	0.6
151.78476	0.5
162.05663	0.6
177.07777	0.9
192.10208	4.7
201.52448	0.5
240.10124	0.6
241.10965	2.0
252.10309	0.6
268.09677	4.6
269.10336	0.7
280.09357	0.6
284.09415	0.6
284.12744	1.1
297.09921	15.0
312.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Norisodomesticine
Peak:m/z	Relative Intensity
53.43543	0.3
58.06593	0.4
58.99072	0.3
85.02919	0.6
107.04978	0.4
121.02867	6.6
126.63315	0.4
177.07849	1.5
190.37560	0.3
192.10172	3.8
205.10989	1.6
240.10170	0.5
241.11006	1.4
252.10165	0.8
268.09702	5.0
269.10461	2.1
279.09061	0.6
280.09811	0.5
284.12845	1.3
294.11267	0.8
296.09320	0.5
297.09946	13.6
312.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43543	0.3
58.06593	0.4
58.99072	0.3
85.02919	0.6
107.04978	0.4
121.02867	6.6
126.63315	0.4
177.07849	1.5
190.37560	0.3
192.10172	3.8
205.10989	1.6
240.10170	0.5
241.11006	1.4
252.10165	0.8
268.09702	5.0
269.10461	2.1
279.09061	0.6
280.09811	0.5
284.12845	1.3
294.11267	0.8
296.09320	0.5
297.09946	13.6
312.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35633	0.3
57.03429	0.6
61.02925	2.2
69.03433	3.2
69.07063	2.5
73.02927	0.7
74.80276	0.4
81.03410	1.9
85.02906	25.6
87.04480	0.6
87.08102	3.4
91.03957	2.0
97.02890	6.9
99.04441	1.7
101.42943	0.4
106.10403	0.4
109.02878	2.0
121.51081	0.4
127.03915	6.0
133.08600	2.0
136.06233	0.6
137.06042	0.5
138.06256	0.4
145.04953	11.3
163.05997	3.5
177.14960	0.4
212.07147	0.5
222.05511	2.1
224.07082	0.9
226.08606	0.6
238.04999	0.7
240.06529	0.9
252.11040	0.6
254.08051	2.1
268.06033	39.9
282.07593	59.0
284.09897	0.5
287.30609	0.4
294.03958	2.2
297.09949	100.0
312.05069	49.5
312.08890	4.9
312.12271	69.7
312.15768	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1229
Annotation	Annocherine B
Peak:m/z	Relative Intensity
58.06598	0.3
85.02895	0.2
90.28790	0.2
103.70855	0.2
104.83150	0.2
107.04958	0.3
112.66460	0.2
115.03924	0.3
115.07544	0.2
119.69996	0.2
121.02848	7.6
137.05978	1.0
138.06342	0.4
151.07564	0.9
164.07057	0.3
166.06087	0.4
176.06985	0.9
177.07843	2.0
179.14529	0.2
192.10229	3.9
201.83102	0.2
202.87892	0.2
216.60738	0.2
220.08270	0.3
232.57336	0.2
235.07306	0.4
237.08655	0.8
240.10236	0.8
241.10922	1.3
243.09927	0.2
248.07600	0.3
252.10312	1.3
264.06818	0.2
265.08188	0.2
266.08279	0.4
267.08731	0.3
268.09686	4.4
269.10416	2.0
279.09070	0.9
280.10175	1.4
284.09177	1.2
284.12787	1.4
294.07758	0.3
294.11087	0.7
296.09238	0.4
297.06659	0.7
297.09933	17.4
312.08856	5.7
312.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Norisodomesticine
Peak:m/z	Relative Intensity
51.76973	0.3
52.17391	0.3
57.68774	0.3
80.65512	0.3
86.39767	0.3
92.59554	0.3
111.84373	0.3
121.02851	7.9
122.30833	0.3
176.07039	0.5
177.07835	1.8
179.44778	0.3
192.10197	4.1
195.48672	0.3
240.10240	1.3
241.10880	1.6
252.10114	0.7
268.09723	4.8
269.10431	1.9
280.09650	0.4
284.12772	1.3
294.11273	0.8
297.09952	16.0
312.12268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53073	0.5
70.06590	0.6
74.53994	0.6
78.30669	0.4
121.02844	7.7
121.06512	0.7
137.05946	0.6
151.07579	0.6
151.78476	0.5
162.05663	0.6
177.07777	0.9
192.10208	4.7
201.52448	0.5
240.10124	0.6
241.10965	2.0
252.10309	0.6
268.09677	4.6
269.10336	0.7
280.09357	0.6
284.09415	0.6
284.12744	1.1
297.09921	15.0
312.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35633	0.3
57.03429	0.6
61.02925	2.2
69.03433	3.2
69.07063	2.5
73.02927	0.7
74.80276	0.4
81.03410	1.9
85.02906	25.6
87.04480	0.6
87.08102	3.4
91.03957	2.0
97.02890	6.9
99.04441	1.7
101.42943	0.4
106.10403	0.4
109.02878	2.0
121.51081	0.4
127.03915	6.0
133.08600	2.0
136.06233	0.6
137.06042	0.5
138.06256	0.4
145.04953	11.3
163.05997	3.5
177.14960	0.4
212.07147	0.5
222.05511	2.1
224.07082	0.9
226.08606	0.6
238.04999	0.7
240.06529	0.9
252.11040	0.6
254.08051	2.1
268.06033	39.9
282.07593	59.0
284.09897	0.5
287.30609	0.4
294.03958	2.2
297.09949	100.0
312.05069	49.5
312.08890	4.9
312.12271	69.7
312.15768	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06934	1.2
53.94812	1.1
56.73450	1.2
58.69413	1.2
66.45496	1.3
69.03432	6.7
70.06600	16.6
77.34849	1.3
81.19637	1.1
84.08144	2.3
86.06063	1.9
87.04469	43.9
98.06057	78.4
112.07601	60.0
112.08353	2.0
116.07089	100.0
120.08160	1.8
121.06537	2.6
130.08652	9.8
140.07103	8.4
147.06862	2.1
148.07562	13.6
149.06004	2.9
167.07053	3.1
174.09251	1.3
176.07071	20.8
177.05524	7.8
181.08537	1.6
188.07150	1.8
188.10748	2.1
192.06682	2.0
207.09024	5.9
208.09708	3.4
209.08128	2.4
216.10327	7.5
234.11317	2.9
240.10294	2.1
244.09686	5.7
262.10748	21.5
263.11566	2.8
266.07938	1.9
268.09790	3.1
276.12253	2.2
294.13370	13.7
312.05313	2.6
312.08643	7.0
312.14548	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.155
Annotation	Leonurine
Peak:m/z	Relative Intensity
64.50697	0.6
70.06586	0.8
71.70399	0.5
73.16078	0.5
78.13466	0.6
84.59330	0.6
85.02921	0.6
86.95166	0.7
88.66606	0.6
94.33324	0.5
96.91270	0.5
136.07561	0.9
148.08710	2.4
159.07930	0.7
160.08702	11.2
178.09747	24.3
180.08791	34.5
199.77031	0.6
203.20731	0.7
220.10910	1.0
266.08163	1.0
274.06815	0.6
282.14441	3.4
294.14542	6.5
312.08340	4.4
312.15527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69877	0.4
56.05045	0.5
58.06608	100.0
61.38126	0.5
83.46532	0.5
88.78850	0.5
125.78294	0.5
130.08607	0.8
148.06178	0.9
209.09634	2.0
219.08000	1.1
237.09137	4.2
239.10829	0.5
268.06165	1.0
269.11682	3.1
294.09985	0.6
294.13351	0.7
304.45764	0.6
312.04950	1.0
312.08267	5.2
312.12814	2.6
312.15915	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.16
Annotation	Isothebaine
Peak:m/z	Relative Intensity
51.29007	0.9
58.06606	17.0
59.96249	1.0
61.67348	1.0
65.46214	1.0
90.29623	1.1
90.70036	0.9
103.52685	1.1
107.04951	2.5
135.28278	1.5
174.09090	2.2
175.09944	1.8
190.08626	99.8
191.09438	4.6
192.10233	1.7
205.10979	100.0
206.11743	16.7
235.07671	1.5
267.10049	2.5
280.10315	2.1
280.13199	1.4
297.10156	4.5
312.08615	3.2
312.12494	22.9
312.15930	42.6
327.60904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.159
Annotation	Thebaine
Peak:m/z	Relative Intensity
51.69877	0.4
56.05045	0.5
58.06608	100.0
61.38126	0.5
83.46532	0.5
88.78850	0.5
125.78294	0.5
130.08607	0.8
148.06178	0.9
209.09634	2.0
219.08000	1.1
237.09137	4.2
239.10829	0.5
268.06165	1.0
269.11682	3.1
294.09985	0.6
294.13351	0.7
304.45764	0.6
312.04950	1.0
312.08267	5.2
312.12814	2.6
312.15915	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1591
Annotation	Thebaine
Peak:m/z	Relative Intensity
58.06321	0.8
58.06606	23.2
61.15868	0.5
75.07783	0.6
77.63236	0.6
98.18080	0.6
107.04955	26.3
107.05674	1.1
115.05418	0.7
121.02815	1.0
131.04851	0.8
137.05971	3.2
143.04910	3.2
145.06462	2.3
160.71494	0.6
175.07483	1.0
175.09909	0.9
176.08401	0.7
190.08615	6.8
191.09444	4.2
205.10942	9.5
206.11673	0.8
207.08061	7.7
209.09558	1.2
224.08452	0.8
235.07571	9.0
235.78157	0.7
237.09125	1.4
239.10582	2.6
249.12492	0.6
252.07773	7.0
267.10156	22.8
269.11618	1.1
278.11627	1.2
279.12521	1.4
296.12762	2.4
297.13580	9.2
312.15918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	Thebaine
Peak:m/z	Relative Intensity
53.04739	0.6
56.00956	0.5
57.42092	0.5
58.06609	25.2
60.03711	0.5
62.38415	0.4
66.26322	0.6
66.74856	0.6
84.80659	0.6
101.13865	0.5
107.04961	28.6
107.05683	1.3
109.95188	0.5
121.02879	1.3
123.79343	0.6
127.36158	0.6
137.05972	3.6
143.04933	3.9
145.06491	3.5
175.07497	1.0
176.08345	0.8
190.08633	4.2
191.09435	3.3
192.10193	0.6
205.10944	9.5
206.11736	0.7
207.08047	9.5
209.09560	0.9
235.07558	9.8
237.09050	1.1
239.10713	1.3
252.07773	8.2
267.10162	18.8
269.11642	1.4
278.11813	0.8
279.12567	1.2
282.11261	1.3
296.12845	2.3
297.13696	7.5
312.15930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	(-)-Nuciferoline
Peak:m/z	Relative Intensity
58.06321	0.9
58.06607	23.5
60.65455	0.4
75.56248	0.4
107.04955	28.3
121.02869	4.3
124.06453	0.5
137.05998	4.1
143.04950	4.0
145.06482	3.4
150.09111	0.6
173.08305	1.2
175.07466	1.0
176.08377	0.5
180.75412	0.5
190.08656	4.9
191.09451	2.1
205.10992	10.2
206.11806	0.8
207.08057	8.5
209.09537	0.7
224.08165	0.7
235.07529	9.5
236.08315	1.0
237.09044	0.9
239.10753	3.6
252.07777	9.5
267.10150	33.9
268.09641	3.8
269.11703	2.2
279.12567	0.8
296.12723	2.4
297.13593	8.6
312.08762	6.5
312.15915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	Thebaine
Peak:m/z	Relative Intensity
58.06607	26.2
103.65205	0.6
107.04248	1.2
107.04961	29.8
115.05431	0.6
117.25163	0.7
121.02872	1.3
137.05980	3.8
143.04938	5.5
145.06509	2.9
150.09171	1.0
163.07559	0.6
173.08397	1.0
173.27869	0.6
174.09126	0.9
175.07574	1.3
175.09967	0.7
178.66177	0.6
190.08618	6.1
191.09415	3.7
205.10963	10.9
207.08060	11.5
209.09634	1.0
235.07513	12.9
236.08295	0.7
237.09145	1.3
239.10716	2.6
249.08940	0.6
252.07797	7.4
267.10165	23.4
269.11667	2.6
278.11832	2.0
279.12469	2.7
282.11227	1.1
296.12769	1.4
297.13635	9.3
312.15921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1592
Annotation	Thebaine
Peak:m/z	Relative Intensity
56.81517	0.7
58.06607	100.0
62.25732	0.7
65.15746	0.8
69.07055	1.3
77.93411	0.7
84.28871	0.7
115.07586	3.6
132.04510	1.0
152.01378	0.9
219.08046	1.1
237.09048	3.9
239.10681	1.1
254.09341	1.2
263.77908	0.8
268.06564	1.4
268.09573	10.8
269.11719	1.9
284.08185	3.5
312.04910	2.6
312.08356	12.0
312.12482	5.1
312.15900	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.159
Annotation	Thebaine
Peak:m/z	Relative Intensity
52.29346	0.1
55.43171	0.1
58.06603	22.7
60.81477	0.1
77.03867	0.1
85.74262	0.1
86.31985	0.1
88.56602	0.1
95.04958	0.1
107.04950	27.7
115.05462	0.8
121.02863	1.8
121.06532	0.2
131.04939	0.5
134.05984	0.2
134.90581	0.1
137.05974	3.5
143.04918	4.4
145.06483	2.7
147.08052	0.2
149.06047	0.1
150.09114	1.0
151.07655	0.1
158.07292	0.4
158.09645	0.6
160.05176	0.1
161.05959	0.6
161.08284	0.1
162.09123	0.7
163.07545	0.4
173.08395	0.7
174.06738	0.1
174.09167	0.5
175.07549	1.6
175.09842	0.7
176.06987	0.2
176.08308	1.1
177.09103	0.2
179.08539	0.4
181.06491	0.1
186.09142	0.5
190.08624	4.9
191.09409	3.4
192.10201	0.2
194.07262	0.1
204.10176	0.3
205.10963	10.6
206.07375	0.1
206.11777	1.3
207.08035	8.0
209.09605	1.1
217.06557	0.1
221.09608	0.2
223.07581	0.3
224.08243	0.4
234.06770	0.6
235.07516	9.9
236.08311	0.6
237.09106	1.6
239.10641	2.4
249.09195	0.4
251.06955	0.2
252.07770	7.0
267.10129	21.2
268.10852	0.1
269.11694	2.5
278.11722	1.7
279.12540	1.7
280.13440	0.2
282.11206	0.9
296.12830	2.1
296.15906	0.2
297.13574	8.4
312.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68018	0.4
58.06605	32.4
63.43839	0.4
75.53024	0.5
83.02593	0.5
98.84653	0.5
107.04955	34.2
109.45068	0.5
115.05451	1.1
121.02837	1.7
132.29700	0.5
137.06006	4.7
140.63908	0.5
143.04901	5.1
145.06499	2.9
150.09151	0.7
158.07300	0.6
174.09184	0.6
175.07547	1.2
175.09840	0.9
176.08328	0.9
190.08604	8.8
191.09427	4.8
205.10976	11.6
206.11746	1.1
207.08032	9.1
209.09654	0.6
223.07487	0.7
235.07492	12.0
236.08395	0.6
237.09045	1.2
238.16208	0.5
239.10698	2.2
249.09154	0.7
251.07088	0.7
252.07796	8.5
267.07254	1.0
267.10120	26.7
269.11688	2.3
278.11713	2.0
279.12488	2.1
282.11111	0.6
296.12863	2.7
297.13632	10.6
312.15909	100.0
327.73001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69454	0.6
54.03102	0.8
54.89362	0.7
55.87263	0.7
58.06318	0.9
58.06604	24.8
61.18249	0.8
63.37092	0.7
64.00589	0.9
67.54003	0.9
73.39452	0.7
74.31925	0.8
96.58836	0.9
101.14344	0.9
107.04959	32.9
109.19789	0.8
127.66077	0.8
132.85191	0.9
137.05980	3.3
143.04938	4.1
145.06476	1.8
150.09158	0.9
170.10242	0.9
190.08531	2.9
191.09462	2.0
205.10927	10.1
206.11696	0.9
207.08090	6.4
235.07437	8.9
237.09050	0.9
252.07764	6.2
267.10172	21.5
269.11801	3.2
278.11594	1.0
279.12491	2.0
296.13092	1.0
297.13666	11.4
312.15915	100.0
329.22748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1591
Annotation	Manibacanine
Peak:m/z	Relative Intensity
58.06355	1.3
58.06609	23.3
69.33059	0.8
73.38557	0.7
82.87337	0.9
83.65806	1.0
86.95853	0.8
92.20910	1.2
107.04957	26.7
121.06551	1.2
137.06003	1.9
143.04926	3.9
145.06453	1.2
173.08391	1.1
174.09169	2.2
175.07622	1.2
183.26671	0.9
189.36453	1.0
190.08630	10.8
191.09352	5.8
192.10074	1.0
204.10199	1.2
205.10986	54.4
206.11787	15.4
207.08055	8.5
235.07483	8.8
252.07791	6.3
267.10150	18.4
267.12814	1.2
269.11606	1.4
278.11780	1.2
279.12573	3.5
297.13510	7.6
312.15915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1595
Annotation	Thebaine
Peak:m/z	Relative Intensity
58.06323	0.7
58.06607	20.9
67.06634	0.6
85.13013	0.7
91.82900	0.6
93.90212	0.7
103.05360	0.7
105.63448	0.7
107.04956	22.9
121.02853	3.3
121.06475	1.4
137.05949	2.7
143.04893	3.1
145.06494	1.4
165.53200	0.8
176.70769	0.7
183.75491	0.8
190.08734	4.7
191.09351	1.0
205.10982	7.3
207.08017	7.4
209.09576	1.1
235.07509	7.4
237.09213	1.1
239.10750	4.6
252.07776	6.0
252.10077	0.7
254.29623	0.8
267.10156	31.0
269.11646	3.0
296.12854	3.0
297.13620	12.2
312.12476	6.3
312.15906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1593
Annotation	(-)-Nuciferoline
Peak:m/z	Relative Intensity
54.53957	0.3
58.06608	9.3
60.86306	0.3
78.25562	0.3
81.46331	0.3
91.29288	0.3
99.69548	0.3
106.96945	0.4
107.04957	3.4
121.02866	18.6
131.04938	1.7
143.04939	0.4
145.06490	1.6
188.48196	0.4
207.08093	0.7
208.08824	0.4
209.09554	0.8
223.07350	0.5
224.08293	2.9
224.43602	0.4
235.07500	0.3
236.08275	5.1
237.05452	0.6
237.09041	0.7
239.10646	13.9
252.07791	9.0
267.10147	100.0
269.11703	2.5
281.11765	1.5
291.04053	0.3
312.15921	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99453	0.7
55.01870	0.7
57.03445	1.7
57.41198	0.7
59.17996	0.7
61.02924	8.2
66.69586	0.6
69.03431	13.5
69.07079	10.3
70.26727	0.6
71.04987	0.7
73.02914	2.9
81.03434	6.0
85.02906	100.0
87.04473	1.7
87.08112	17.5
91.03951	7.5
92.20978	0.8
97.02890	27.0
99.04462	4.1
105.09147	1.2
109.02894	8.1
109.03523	1.1
109.19887	0.7
121.06519	1.8
127.03907	26.1
127.04824	1.0
133.08621	3.7
136.06233	1.0
137.05946	1.1
145.04951	44.0
163.06020	14.9
196.53522	0.8
214.04718	0.7
219.79738	0.8
222.05563	1.3
224.07132	1.3
236.34511	0.7
254.08186	1.1
264.53827	0.9
268.06042	27.0
282.07596	47.6
294.04062	1.0
294.13504	1.1
295.14020	3.4
297.09949	79.6
312.05096	30.9
312.08829	4.1
312.12360	63.6
312.15967	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70734	2.0
55.02945	2.2
55.05526	4.9
57.07077	63.0
67.05503	14.8
69.07083	4.6
71.08627	13.6
79.05479	4.2
81.07052	16.7
83.08611	9.8
93.07043	4.6
95.08589	11.0
97.06546	3.8
97.10165	13.3
104.18037	2.6
107.08595	14.4
109.10167	24.3
110.07112	2.6
112.53636	2.4
123.11684	10.1
124.11208	3.4
125.09637	9.2
127.11215	21.9
133.10141	4.4
138.09201	2.6
147.11690	2.6
153.09102	22.3
169.12228	100.0
170.11731	22.5
186.14879	12.8
187.13231	3.5
249.21916	3.1
261.35629	2.5
277.21579	17.2
294.24237	4.4
295.22641	31.5
312.25201	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	4.2
53.21260	2.4
55.01869	13.9
55.05514	24.4
57.03416	3.2
57.07079	71.2
67.05508	55.5
69.03439	3.8
69.07072	29.6
71.04992	13.5
71.08611	4.9
72.60146	2.4
79.05488	17.7
81.03432	6.9
81.07063	93.7
83.04991	6.4
83.08621	19.3
85.06528	30.5
85.10181	100.0
91.05474	18.2
93.07035	22.8
95.04934	5.4
95.08607	74.7
97.06535	11.6
97.10165	19.6
99.08089	4.6
102.45783	2.8
105.07050	15.9
107.04938	5.1
107.08588	22.1
108.26180	2.8
109.06485	3.0
109.10171	29.8
111.08065	20.6
113.09642	78.9
118.72540	2.7
119.08590	24.9
121.10146	19.9
123.08044	6.3
123.11664	18.5
125.09638	11.5
127.11137	4.6
130.37773	3.1
131.08623	4.2
133.10106	24.3
135.08038	4.2
135.11700	14.1
137.09604	6.8
137.13231	4.3
139.11174	3.9
147.11699	44.1
149.09610	15.1
149.13300	3.0
151.11198	14.5
153.12723	4.9
155.10631	19.5
159.11641	3.4
165.12744	63.9
167.10625	3.1
168.13832	12.4
179.14310	14.1
182.15439	15.8
183.13785	65.6
184.13292	6.6
185.07112	15.5
193.15837	3.8
198.14964	4.8
200.16435	83.2
201.14835	14.0
249.22157	3.0
259.20560	6.7
276.23004	4.7
277.21603	74.3
294.21365	11.9
294.24295	41.8
295.22601	34.2
312.25272	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05521	7.5
55.70620	1.5
56.59118	1.5
57.03436	3.6
57.07082	88.2
59.70491	1.5
66.11562	1.6
66.30055	1.5
67.05510	29.9
69.03422	1.8
69.07063	14.9
71.04991	3.0
71.08624	7.4
79.05504	12.2
81.03417	4.3
81.07063	34.6
83.08633	14.4
85.06540	8.8
85.10165	1.7
87.27720	1.8
91.05492	7.4
93.07027	17.0
95.04962	4.0
95.08610	23.6
97.06544	2.6
97.10182	11.8
99.04475	2.4
105.07041	2.8
107.08619	18.7
109.06538	2.1
109.10168	34.2
111.08061	3.2
113.09621	2.1
113.41100	1.7
119.08560	4.0
121.10152	14.6
123.08066	1.8
123.11707	10.6
124.11241	2.5
125.09673	13.1
127.11193	30.7
133.10152	11.2
135.08069	4.0
135.11668	11.7
137.09637	2.3
142.12315	3.4
147.11703	3.1
151.11192	3.2
153.09140	17.7
154.12288	3.4
160.89503	1.9
168.13853	3.3
169.12244	100.0
170.11789	15.5
179.14294	9.1
186.14897	11.4
187.13324	8.3
193.15947	2.5
231.21088	2.2
239.20071	2.9
240.19600	3.5
259.20490	3.2
271.22888	2.6
277.21613	34.9
294.24207	23.9
295.22733	31.4
312.25281	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
55.05521	19.1
57.03436	3.3
57.07083	32.5
59.90842	2.0
62.28275	1.9
62.75111	1.9
67.05514	36.4
69.07072	39.4
71.05000	3.2
71.08632	3.5
79.05498	24.2
81.03408	4.6
81.07066	42.9
83.04977	13.6
83.08620	11.2
85.06555	4.9
85.10167	5.5
91.05470	10.1
93.07043	43.2
95.04979	10.3
95.08598	45.2
97.06551	18.5
97.07115	2.1
97.10162	22.3
100.07644	5.0
103.48866	2.3
105.07021	10.3
107.08589	21.0
109.10152	23.7
111.11739	5.1
113.09637	11.3
119.08582	11.5
121.10146	61.6
123.08083	5.8
123.11749	5.7
125.09615	6.3
127.11179	5.4
131.08594	4.4
133.10141	12.2
135.11664	15.6
137.06020	3.0
137.09615	15.6
138.12779	19.4
139.11157	27.8
145.10054	3.6
147.11720	5.5
149.09564	5.8
149.13274	4.2
151.11185	5.8
155.10635	9.6
156.13849	11.4
161.13246	4.0
167.10600	4.0
183.13840	11.3
184.13339	100.0
189.00041	3.0
198.14931	5.5
203.12935	2.8
259.20502	3.1
277.21616	68.0
294.21368	9.4
294.24280	34.5
295.22684	19.8
312.22275	2.6
312.25458	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
54.62638	1.8
55.01880	4.0
55.05529	22.0
57.03440	3.4
57.07085	37.0
67.05514	41.0
69.03415	2.3
69.07074	23.6
71.05001	2.7
71.08639	15.0
71.50737	1.6
79.05503	27.8
81.03413	3.1
81.07065	37.2
83.04988	4.5
83.08629	35.7
85.02900	2.6
85.10224	1.8
86.64202	2.0
86.94012	1.8
91.05466	4.5
93.07048	25.0
94.37567	2.1
95.04971	3.9
95.08607	26.3
97.06514	4.3
97.10173	44.5
105.07050	9.7
107.08608	50.2
109.06504	2.1
109.10156	32.1
117.06975	2.0
118.57501	1.9
119.08566	10.1
121.10164	9.3
123.08075	15.6
123.11707	9.2
124.11235	20.2
125.09635	38.0
127.11170	8.6
133.10133	7.7
135.08066	20.4
135.11713	13.1
137.09647	12.9
139.11211	2.9
141.12750	3.8
142.12288	11.1
143.08572	2.6
147.11690	7.7
149.13251	2.2
151.11134	3.9
152.10730	3.0
153.09122	20.9
153.12769	9.1
161.13222	2.6
169.12257	46.6
170.11768	100.0
175.14963	2.3
179.10690	2.2
179.14328	2.3
184.13332	2.3
189.11227	3.5
198.37743	2.2
231.21036	2.1
249.22212	4.7
259.20609	8.3
277.21622	44.0
294.21390	25.9
294.24353	28.2
295.22626	19.0
312.25623	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
60.04534	24.0
61.76928	1.5
63.69796	1.2
65.58551	1.6
69.07074	15.4
81.07044	9.6
83.08641	12.6
86.09694	8.3
86.73728	1.6
93.07023	1.9
95.08595	7.8
97.10174	7.9
105.07074	1.9
109.10158	3.4
111.11670	1.7
119.08555	1.9
121.10069	2.0
123.11697	6.7
133.10130	2.1
135.11664	1.5
147.11693	3.0
149.13205	2.1
182.15488	5.6
200.16440	2.9
224.76593	1.9
235.20605	2.8
252.23248	15.1
264.51828	1.6
270.24258	19.1
294.97989	1.7
312.25305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16098	1.7
55.05520	9.4
56.05040	5.0
67.05510	15.8
69.07077	29.0
70.06580	12.5
79.05506	2.8
81.07066	32.6
82.06577	4.4
83.08617	10.5
90.44668	2.1
91.05428	2.4
93.07047	10.9
94.06559	2.3
95.08591	19.9
96.08108	2.5
97.10196	3.2
98.09737	4.1
105.07017	2.0
107.08604	5.4
109.10146	18.5
111.08025	2.2
111.11736	3.5
119.08575	2.9
120.56472	2.1
121.10133	12.3
123.11720	4.1
126.12782	10.3
128.14368	22.8
133.10136	5.3
135.11720	2.6
140.14391	3.2
147.11714	2.2
154.12254	3.3
168.17413	17.1
172.13362	22.2
192.54385	2.1
194.15436	10.4
212.16458	18.5
277.21564	3.6
294.24167	20.5
312.25055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.253
Annotation	N-tetradecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
55.01885	4.6
55.05512	19.3
57.03423	5.3
57.07075	20.7
60.04526	21.1
67.05507	32.6
67.39624	3.6
69.07073	35.8
69.07404	3.9
71.04990	5.1
71.08632	35.8
77.42564	4.1
79.05482	8.5
81.07071	32.1
81.07476	4.7
83.04977	6.7
83.08625	17.1
86.61431	4.3
91.05450	5.7
93.07032	23.8
95.08613	48.9
97.06518	5.1
97.10158	11.0
99.08095	27.8
104.50470	4.4
105.06995	7.4
107.08582	28.4
109.10150	29.3
111.07980	5.0
119.08543	8.6
121.10114	24.7
123.08033	5.4
123.11688	10.4
133.10139	20.3
135.08005	6.1
135.11696	23.3
141.12711	46.7
145.10158	5.4
147.11652	7.8
153.12694	17.2
161.13245	8.6
169.12141	7.3
179.14317	5.2
236.55997	5.1
252.23119	16.9
270.24225	10.4
276.23166	5.7
277.21552	61.5
294.24255	78.9
295.22638	64.1
312.08334	11.1
312.25226	100.0
312.28787	10.0
325.29688	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05500	4.4
57.07084	11.6
58.06588	1.0
59.04995	1.1
62.06073	1.2
67.05500	1.8
69.07058	5.6
71.04969	0.7
71.08641	6.5
81.07047	3.5
83.08604	4.6
85.10159	1.7
88.07635	1.9
95.08569	2.1
97.10159	3.4
102.09193	2.0
103.07576	4.7
111.08058	1.0
117.09105	1.8
121.10098	1.3
129.21019	0.9
135.11713	1.0
220.59947	0.9
248.70128	0.8
271.26300	35.6
292.05670	0.9
312.28940	16.0
312.32538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56295	1.5
57.07077	3.1
60.08155	7.7
73.07777	1.5
73.64605	1.5
95.60959	1.4
127.65936	1.5
170.14369	1.6
206.94611	1.7
273.66669	1.7
298.37720	1.7
312.36230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	2.4
58.06599	0.5
58.21826	0.2
60.07869	0.4
60.08168	8.8
71.08645	1.2
78.98141	0.2
85.10164	0.5
96.34342	0.2
102.26578	0.2
110.07105	0.2
147.66881	0.2
147.68083	0.2
191.63379	0.3
193.73201	0.3
280.34702	0.3
312.36224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35662	31.1
86.83667	42.8
101.81983	37.2
129.57384	39.2
140.88812	40.5
153.40662	46.7
154.64079	41.5
168.25772	46.5
173.92914	43.7
188.59689	37.5
313.01599	100.0
331.02728	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83515	1.6
64.61617	1.6
66.60914	1.7
73.66223	1.7
82.11790	1.5
100.64091	2.0
102.64612	1.8
103.02441	9.8
115.73553	1.8
119.01869	13.5
133.03455	52.8
137.02974	4.5
151.04541	16.1
152.80923	1.9
163.03897	2.8
164.87738	1.8
168.02704	3.2
172.92680	2.3
176.01894	2.1
182.81635	1.9
191.01875	7.1
193.03438	17.2
195.05020	10.3
209.02943	28.4
210.03691	7.9
211.04503	36.1
213.05965	2.2
217.03398	4.4
219.04988	3.0
221.02992	2.4
223.04532	26.9
224.05290	100.0
224.98407	3.2
229.05785	2.9
231.05122	2.4
235.04402	20.5
237.06033	12.2
239.03970	8.3
242.06407	1.9
249.06038	15.8
253.05510	33.4
255.07039	2.8
266.99487	4.2
267.07129	55.0
277.05545	34.5
281.04865	12.7
285.08151	32.9
295.06589	20.4
299.06046	41.7
313.07648	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71645	0.4
80.68881	0.4
84.04509	0.6
88.53143	0.4
89.05177	0.4
106.90670	0.4
179.19841	0.4
211.08617	1.0
213.10281	0.4
224.07065	6.1
224.32428	0.6
225.07683	0.9
226.08807	0.6
239.08199	1.0
241.09668	0.9
254.06847	6.7
265.84259	0.5
269.09201	100.0
296.05502	20.8
313.08206	58.3
313.11517	1.0
328.04449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
53.61255	0.7
67.67182	0.7
67.83486	0.6
74.96896	0.7
89.40616	0.7
99.57120	0.7
105.03419	1.0
210.61760	0.8
220.98061	0.8
268.07318	1.5
269.08020	9.1
280.07257	18.7
297.07642	10.7
298.04926	1.6
298.08353	44.6
313.10693	100.0
313.27322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	Baicalein 5,6,7-trimethyl ether
Peak:m/z	Relative Intensity
56.23681	1.2
57.07082	6.6
61.25723	1.2
67.05512	5.1
69.07055	2.5
70.06596	6.2
71.08614	1.0
81.07063	5.2
83.08608	1.6
88.07627	14.4
91.05458	1.7
93.07080	1.5
94.11329	1.3
95.08579	2.9
102.09193	2.5
105.50449	1.3
106.08678	5.5
107.08591	1.9
108.05150	1.5
109.10178	2.3
110.10584	1.5
119.08572	1.4
127.08688	4.8
145.09665	2.0
148.92433	1.4
201.23537	1.2
208.20670	2.3
226.21817	1.5
251.24860	2.5
255.06590	1.6
270.08911	2.1
274.79544	1.6
295.24377	2.7
295.27432	44.9
296.23038	1.8
297.07538	8.7
298.08359	81.7
299.08960	1.3
313.07861	2.9
313.10736	71.5
313.28506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1067
Annotation	Baicalein 5,6,7-trimethyl ether
Peak:m/z	Relative Intensity
57.03438	3.1
57.07080	8.1
61.09360	0.8
67.05497	1.4
67.40311	0.7
69.07059	0.8
71.08627	6.2
81.07053	1.4
83.08625	1.5
85.10165	3.2
95.08606	4.2
107.62567	0.7
113.74094	0.7
141.24579	0.7
234.61795	0.8
255.06429	4.3
259.48438	0.8
270.08759	1.9
297.07632	11.7
298.08337	91.0
298.43030	0.8
303.25906	0.8
310.63312	0.9
313.10684	100.0
313.27353	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1067
Annotation	Globuxanthone
Peak:m/z	Relative Intensity
53.28217	0.5
53.55050	0.5
55.05518	0.8
59.85255	0.5
65.59337	0.6
67.05510	1.2
69.07066	0.7
71.08629	0.9
78.31808	0.6
79.05471	0.8
80.39389	0.7
81.07051	3.3
83.08598	0.8
85.10164	0.6
88.16571	0.7
89.21552	0.6
92.20911	0.8
93.07070	0.9
95.04987	0.7
95.08605	2.5
97.10193	0.6
99.08059	0.8
107.08577	1.0
109.10144	1.1
124.99174	0.6
131.08556	0.9
141.12756	2.5
150.77487	0.7
224.08356	1.4
241.33910	0.7
252.07808	6.6
267.03824	0.6
269.08014	1.3
277.21561	1.3
278.22000	0.7
279.06494	18.5
279.09283	1.1
280.07312	18.1
283.05981	4.9
295.22769	3.6
297.07562	65.4
298.08344	7.3
299.58563	0.7
313.10715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05510	0.4
57.07087	0.7
67.05507	1.7
69.07076	0.6
79.05486	0.6
81.07050	1.8
83.04943	0.4
83.08613	0.4
85.06572	0.4
85.10208	0.7
91.05486	1.4
93.07065	1.6
95.08596	1.8
96.08930	0.3
97.10149	0.4
105.03362	0.5
107.08595	0.9
109.10143	0.5
113.09613	0.6
121.10131	0.8
141.12767	0.4
148.11993	0.4
218.28168	0.4
224.08411	4.0
235.53470	0.4
251.07101	0.6
252.07784	21.3
267.06537	3.3
268.07388	0.5
269.08102	6.4
277.21613	0.7
278.22064	1.9
279.06546	16.7
280.07324	12.9
284.06793	1.5
295.22693	2.2
296.22986	0.7
297.07596	21.3
298.08359	9.6
313.10715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89805	0.9
54.32111	0.8
75.62386	1.0
108.04504	1.6
122.09642	0.9
136.03955	1.9
136.07709	1.2
146.09598	1.5
150.05481	2.1
160.03903	3.8
164.10733	19.3
180.08809	1.6
180.10199	6.5
181.09222	1.5
189.10269	5.0
192.53111	1.0
199.53963	1.0
204.10277	1.9
206.11789	2.2
208.09697	42.7
210.11281	17.2
218.08110	1.2
220.09848	1.1
222.11234	3.7
223.10754	1.6
224.07095	5.1
224.09189	2.0
226.08612	3.9
234.07454	1.9
235.10754	12.9
236.09163	63.3
239.07964	1.1
250.10762	19.5
253.11850	36.3
254.06850	5.1
254.10506	1.5
260.09113	21.1
268.11798	100.0
269.09207	48.5
269.12686	4.4
271.38708	1.1
277.11853	5.8
278.10229	47.6
279.07687	1.4
284.09235	1.8
295.12891	4.2
296.05527	17.0
296.10739	3.0
313.08249	36.3
313.13913	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1422
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
51.05052	1.7
51.88725	1.8
57.95709	1.7
57.96002	1.8
59.95507	1.7
65.04037	1.8
78.74741	1.9
90.65337	2.3
91.05470	23.2
95.04945	4.0
109.06502	2.9
119.04965	26.1
119.05690	3.3
123.04399	2.5
124.80698	2.1
127.54477	2.1
129.06999	29.0
131.73042	2.1
137.05972	88.8
151.07544	100.0
151.08768	4.3
157.06490	26.6
163.07574	2.9
174.06796	13.6
175.07527	9.9
189.09105	72.9
193.10091	3.9
221.09720	15.8
249.09016	13.9
252.07869	2.6
253.12279	19.0
281.08127	2.6
281.11490	5.3
284.10260	2.6
295.20474	4.0
313.10727	10.2
313.14243	90.3
313.21680	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
56.26554	1.3
82.50802	1.5
83.89337	1.8
85.02927	1.4
91.05486	17.6
91.78728	1.9
95.04971	7.7
107.04956	14.7
111.19138	1.5
119.04956	18.2
121.06493	2.6
123.11015	1.7
129.07005	16.2
131.04916	2.4
133.02859	2.3
135.08020	2.2
137.05983	83.6
144.15637	1.9
149.05977	3.2
151.03873	6.5
151.07541	100.0
157.06464	23.0
161.05908	2.6
163.07538	11.8
174.06767	9.6
175.07536	5.8
189.09096	68.8
193.10178	3.7
206.11400	2.1
213.28308	1.6
220.08760	2.9
221.09590	10.1
249.08983	7.8
253.12183	18.6
269.07990	2.0
272.10498	2.5
281.11664	5.7
284.10321	3.3
295.07904	2.0
313.14334	83.2
313.21329	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Engelhardione
Peak:m/z	Relative Intensity
54.61572	1.9
55.05505	3.6
57.03442	13.4
57.07080	45.4
61.93867	1.8
67.05497	4.4
67.52709	2.2
69.07060	11.4
71.08627	32.1
76.08846	2.0
81.07058	9.0
83.08613	9.9
85.10175	14.6
92.20995	2.1
92.63949	1.7
95.08598	18.4
97.10183	1.9
105.07047	2.5
109.10149	10.4
123.11726	2.3
147.04456	2.2
169.10127	2.7
197.09560	2.9
197.13184	3.8
207.11630	4.2
209.09607	2.8
210.10384	3.4
211.07393	2.2
211.11069	7.2
225.09120	3.2
225.12694	27.0
238.09846	9.8
239.10629	8.3
251.14259	8.3
253.12198	58.1
267.13815	4.2
295.13260	9.4
298.11780	3.0
313.10974	6.5
313.14310	100.0
313.17993	4.2
313.27371	96.7
322.81226	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1643
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
50.20766	1.6
54.84838	1.4
55.01875	3.0
55.05515	10.2
57.03443	3.2
67.05510	30.9
69.07072	10.5
71.04991	8.3
79.05492	11.0
81.03431	7.8
81.07059	33.4
83.04965	8.2
83.08644	3.6
83.37781	1.7
85.06519	6.6
91.05478	26.0
93.07043	30.8
95.04978	7.7
95.08592	13.9
97.06552	4.1
97.10187	2.2
99.04435	3.9
105.07041	25.2
107.04978	2.3
107.08590	39.7
109.06536	3.7
109.10165	55.2
117.05482	15.3
119.08603	8.3
121.10133	7.6
123.08147	3.0
123.11732	9.0
125.22051	1.7
131.08578	2.5
133.10129	92.8
135.11682	6.5
147.11746	3.0
151.11177	100.0
161.09641	4.1
161.13228	2.5
169.12251	12.7
179.10686	4.0
187.29930	1.8
215.12811	15.0
232.74818	1.9
241.35098	1.7
267.15787	7.5
277.18103	3.0
277.21466	4.0
278.21820	3.9
280.00104	1.9
288.70624	2.1
295.18903	6.6
295.24829	3.8
313.08334	4.0
313.16354	21.7
313.25049	2.0
329.42578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20766	1.6
54.84838	1.4
55.01875	3.0
55.05515	10.2
57.03443	3.2
67.05510	30.9
69.07072	10.5
71.04991	8.3
79.05492	11.0
81.03431	7.8
81.07059	33.4
83.04965	8.2
83.08644	3.6
83.37781	1.7
85.06519	6.6
91.05478	26.0
93.07043	30.8
95.04978	7.7
95.08592	13.9
97.06552	4.1
97.10187	2.2
99.04435	3.9
105.07041	25.2
107.04978	2.3
107.08590	39.7
109.06536	3.7
109.10165	55.2
117.05482	15.3
119.08603	8.3
121.10133	7.6
123.08147	3.0
123.11732	9.0
125.22051	1.7
131.08578	2.5
133.10129	92.8
135.11682	6.5
147.11746	3.0
151.11177	100.0
161.09641	4.1
161.13228	2.5
169.12251	12.7
179.10686	4.0
187.29930	1.8
215.12811	15.0
232.74818	1.9
241.35098	1.7
267.15787	7.5
277.18103	3.0
277.21466	4.0
278.21820	3.9
280.00104	1.9
288.70624	2.1
295.18903	6.6
295.24829	3.8
313.08334	4.0
313.16354	21.7
313.25049	2.0
329.42578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1773
Annotation	Tofacitinib
Peak:m/z	Relative Intensity
50.11845	1.1
55.05523	2.0
55.17640	1.4
56.18161	1.2
57.03432	6.3
57.07084	24.1
60.96991	1.1
61.42574	1.1
67.05508	3.6
69.07069	5.3
71.08643	20.8
72.56442	1.3
81.07057	7.5
83.08634	2.7
85.10169	3.6
95.08591	9.4
97.10202	1.7
106.34306	1.6
107.36006	1.4
109.10167	2.9
123.70229	1.5
161.82857	1.8
213.71747	1.5
249.44653	1.4
313.17731	100.0
313.27362	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2006
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.05518	6.1
57.07099	2.2
61.00716	2.7
61.90147	2.8
62.87074	2.3
63.60213	2.1
67.05503	15.9
68.66358	2.3
69.07062	10.0
81.07045	21.2
83.04974	2.7
83.08605	4.2
88.36897	2.4
91.05539	3.7
93.07043	10.0
95.08604	15.2
97.06548	4.8
103.00733	2.5
107.08606	11.6
109.10156	6.6
111.04427	17.1
111.08073	5.3
113.06010	6.2
119.08570	5.4
121.10166	9.4
123.08062	3.2
125.06012	4.7
125.09642	3.3
133.10123	5.9
135.08008	3.9
135.11656	6.1
137.05974	100.0
140.06987	4.1
147.11679	4.5
175.11182	5.0
181.71796	2.8
208.69722	2.5
213.16423	3.6
231.17258	3.3
249.18561	4.4
252.07790	3.1
253.08449	3.3
277.17947	68.9
278.21933	5.7
295.18954	16.7
295.24643	6.3
298.08286	32.9
309.44592	3.1
313.10892	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2008
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.50862	7.3
55.05508	31.6
57.03440	9.0
57.07079	7.5
59.56300	5.8
67.05495	35.7
69.07070	33.4
71.04996	10.5
71.08624	11.2
79.05499	35.3
81.07060	85.5
83.08635	32.7
85.06564	8.6
85.95030	7.4
91.05486	13.8
93.07053	74.7
94.07367	8.8
94.79627	7.2
95.04967	15.5
95.08623	55.2
97.02896	10.4
97.06558	7.5
97.10175	16.8
99.08086	9.2
101.07980	8.0
103.11035	7.1
105.07050	31.9
107.08614	39.0
109.06493	10.7
109.10161	39.3
111.04434	11.6
111.08071	9.3
117.07005	8.5
119.08604	47.9
121.10146	35.4
123.04449	12.4
131.08554	17.2
133.10129	17.7
135.08032	10.6
135.11723	14.2
137.05994	100.0
143.08551	12.5
145.10219	24.5
146.10390	7.6
147.08002	7.6
147.11681	14.2
149.09586	14.3
157.10107	14.4
161.13219	14.7
163.11198	11.2
171.11580	9.3
173.13246	8.6
185.13292	11.3
221.11777	10.3
253.83316	7.8
277.18027	49.9
278.21661	24.0
295.22626	14.0
313.17868	34.5
313.21616	59.9
313.25229	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65336	0.9
55.05521	1.7
57.03437	6.6
57.07080	21.7
58.07418	1.0
62.95026	0.9
67.05502	3.9
69.07051	1.4
71.08636	15.0
79.05515	1.2
81.07051	7.6
83.08615	3.8
85.10191	9.1
95.08622	8.1
97.06522	2.1
97.10188	2.3
101.32224	1.1
105.06980	1.1
105.24376	1.0
106.79295	0.9
107.08585	2.4
109.06522	9.6
109.10168	3.8
123.08058	2.1
123.11712	1.6
131.08531	1.7
135.08081	1.5
143.08525	1.4
145.10159	1.3
146.82138	1.0
147.11707	1.5
159.11775	1.2
171.11615	1.7
182.12485	1.0
183.11723	1.6
187.14944	1.3
197.13338	1.3
201.12607	1.2
215.19768	1.0
251.18068	1.3
278.21979	1.3
295.20529	5.6
313.17722	100.0
313.21552	17.6
313.27383	43.1
324.55731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2159
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.05524	3.8
66.85577	3.2
67.05505	15.7
69.07058	5.0
79.05510	5.2
81.07059	16.2
91.05482	5.6
93.07032	17.3
95.08589	14.3
97.06531	7.1
105.07041	23.0
107.08585	19.5
109.06515	49.1
109.10147	7.5
111.08070	4.7
119.08569	13.4
121.10131	6.0
123.08084	5.0
131.08566	4.3
133.10092	14.9
135.08038	7.1
135.11670	3.2
140.10730	4.6
140.28271	3.3
143.08514	14.4
145.10138	22.9
147.08040	5.4
147.11679	13.3
155.08545	4.8
157.10129	15.1
157.13428	5.9
159.11656	20.1
161.13293	6.7
169.10130	4.5
171.11685	4.2
173.09607	3.7
173.13254	5.1
185.13269	16.3
195.11684	7.7
201.12752	4.8
205.17395	3.2
208.40546	3.2
237.16426	7.1
239.14296	4.1
251.17938	8.1
253.15848	4.1
253.19478	4.6
277.19443	14.2
295.20407	83.0
313.10800	3.5
313.18301	5.7
313.21640	100.0
313.25183	4.2
313.29031	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2158
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.04987	1.9
67.05495	11.0
68.47960	1.9
69.07055	5.1
71.05000	2.4
72.08154	3.1
79.05483	11.0
81.07059	22.3
83.04964	3.6
85.06540	13.7
91.05479	9.5
93.07024	15.8
94.07347	2.2
94.33859	2.0
94.73128	2.3
95.04962	4.5
95.08635	23.1
97.06544	4.9
97.10160	2.4
98.87658	1.9
105.07028	17.1
107.08580	23.5
109.06504	4.3
109.10168	10.6
112.46525	1.9
117.07013	14.6
119.08566	13.5
121.10139	5.1
123.08071	7.8
129.07034	4.3
131.08546	10.6
133.10112	14.0
135.11681	11.3
137.05986	3.5
137.09625	4.4
143.08624	15.0
145.10132	33.8
147.08026	2.8
147.11661	12.7
149.09599	2.9
155.08580	10.0
157.10117	35.8
159.11673	16.6
161.09619	4.3
161.13231	2.4
163.07564	2.3
169.10091	10.0
171.11682	11.3
173.13278	3.6
175.11201	4.1
183.11658	11.9
185.13293	5.3
195.11707	13.2
197.13281	8.2
201.12936	2.1
209.13286	4.5
211.14815	12.1
221.13210	11.1
223.14790	2.5
225.16425	5.3
235.14880	3.7
237.16327	3.8
251.17966	12.2
253.19550	4.9
255.17435	10.4
267.21021	2.7
271.20468	3.5
277.19403	9.7
295.20605	100.0
313.07220	2.6
313.10522	4.1
313.21851	69.3
313.25323	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.216
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.05508	2.0
57.07101	1.7
58.52188	1.1
67.05499	8.0
68.17410	1.2
69.07063	2.2
71.04990	4.9
74.80141	1.1
75.89108	1.2
79.05493	2.5
81.07066	13.1
81.07470	1.6
83.04993	6.3
83.08592	1.4
85.06560	9.7
91.05482	6.1
93.07044	14.5
95.04982	1.3
95.08612	11.5
105.07044	12.5
107.08598	14.2
109.10162	7.5
111.08090	1.5
115.04001	1.0
117.07020	15.2
119.08595	10.1
121.06521	1.2
121.10143	6.7
123.08051	2.6
123.11756	2.1
129.07014	5.9
131.08528	10.3
133.10138	9.7
135.08072	1.3
135.11691	5.5
143.08566	14.6
145.10114	22.0
146.06882	1.1
147.11707	6.8
147.74261	1.2
151.11197	1.9
155.08595	5.9
155.14676	1.2
157.10110	30.6
159.11681	11.2
161.09680	2.1
161.13255	2.3
165.07013	1.3
169.10172	2.2
171.11691	9.3
173.09723	2.6
173.13205	2.7
175.11246	2.2
177.12738	1.4
181.10155	4.9
183.11705	7.8
185.09784	1.5
185.13286	7.4
187.11128	1.9
191.14354	2.2
193.10104	2.6
195.11705	12.4
196.12325	1.3
197.13237	8.2
198.29176	1.2
199.11128	1.7
199.14865	3.0
207.11768	2.8
209.13229	8.4
211.14845	8.7
215.14319	3.1
221.13229	5.5
223.14789	1.7
225.16359	8.7
229.15918	2.7
235.14880	2.1
237.16351	9.3
249.16342	1.3
251.17987	9.5
252.18784	3.1
253.15883	3.0
253.19522	6.8
255.17503	8.9
267.17307	1.6
271.20676	2.8
277.19501	12.6
278.22021	2.2
295.20566	100.0
313.21634	61.6
313.25366	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2163
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.22763	2.6
55.01886	4.0
55.05510	10.9
57.03463	2.6
57.07090	3.2
59.97113	2.7
62.99165	2.9
67.05199	3.3
67.05499	31.4
69.03423	3.4
69.07067	15.4
71.04993	6.6
71.08612	3.5
79.05491	16.6
81.07060	38.5
83.08630	4.7
85.06055	2.6
85.06549	17.6
91.05493	15.7
93.07046	39.6
95.04959	6.9
95.08620	41.7
97.06528	6.6
97.10168	4.2
105.07050	29.3
107.08592	35.4
109.06535	6.7
109.10185	27.5
111.08105	3.4
117.07032	5.5
119.08585	25.7
121.10116	30.5
123.08076	17.7
123.11723	6.7
125.09616	3.9
129.06985	4.9
131.08582	16.9
133.10109	37.0
135.08124	4.3
135.11700	13.6
136.12018	2.7
137.09674	4.4
137.86745	2.5
139.11188	4.1
141.92032	2.9
143.08563	21.6
145.10115	48.4
147.11691	14.6
149.13271	4.7
151.07536	3.4
155.08563	14.1
157.10135	31.6
157.73006	2.9
159.11691	36.6
161.09557	5.0
161.13286	13.1
163.11131	3.7
169.10092	12.4
171.11707	21.5
173.13289	20.2
175.11160	4.1
175.14761	3.8
183.11694	17.0
185.13280	19.6
187.14754	3.9
191.14363	3.0
193.10231	3.2
195.11758	11.1
197.13286	17.2
199.14847	12.6
201.12492	3.5
209.13297	6.9
211.14819	16.3
221.13295	4.9
223.14902	3.4
225.16431	19.5
237.16429	13.1
239.18008	6.1
251.17944	16.4
252.18816	5.5
253.19502	6.7
255.17314	6.5
269.18915	4.5
271.20483	3.2
277.19507	11.9
278.22018	4.9
281.22604	44.1
295.20551	65.8
295.23877	4.5
313.10779	6.0
313.18298	6.1
313.21573	100.0
313.25336	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.33517	1.6
52.49968	1.6
55.05514	8.3
57.03437	8.1
57.07075	2.0
59.55341	1.6
64.33303	2.6
67.05515	24.5
68.10014	1.7
69.07072	16.2
71.04978	7.5
71.08631	45.0
79.05495	12.6
81.07063	24.0
81.51168	1.8
83.04985	8.6
83.08617	10.7
85.06549	4.3
91.05477	2.6
93.07047	16.5
95.04974	2.3
95.08598	16.9
97.06540	3.1
97.10169	11.4
97.64093	2.0
99.08093	29.0
105.07026	7.3
107.08581	12.2
109.10164	13.1
111.08109	3.0
118.01718	2.5
119.08550	3.0
121.10122	10.1
123.08091	2.6
123.11745	3.2
125.09644	2.9
127.11205	12.4
131.08542	2.1
133.10114	8.0
135.11691	12.8
138.67284	2.1
141.12746	65.3
145.10138	9.4
147.11589	3.4
151.11171	9.8
153.12659	3.1
161.13306	9.8
162.62463	2.1
163.11168	12.4
165.12791	2.4
169.12198	15.7
179.14334	4.9
186.73466	2.1
237.10555	2.0
259.20523	3.2
277.21619	38.8
278.22079	2.8
295.22626	100.0
313.08286	11.4
313.23727	11.7
320.09055	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.35364	2.9
52.09774	3.2
53.49936	2.9
55.01869	9.2
55.05517	31.3
57.03455	3.8
57.07090	6.2
58.80440	3.2
63.66317	3.7
67.05512	53.1
68.35445	3.4
69.03429	5.6
69.07066	37.7
71.05007	7.3
71.08631	5.9
79.05494	39.4
81.07063	66.9
83.04987	7.5
83.08630	35.1
85.06532	4.9
91.05478	21.3
93.07059	49.5
94.29335	3.3
95.08618	43.5
97.06533	8.4
97.10164	39.5
99.08071	5.3
105.07056	14.1
107.08590	48.7
109.10168	43.2
111.08092	6.2
118.41950	3.6
119.08580	26.5
121.10149	43.1
123.08016	5.3
123.11687	7.7
125.09637	23.9
133.10133	27.4
135.08067	5.7
135.11702	42.7
137.09622	15.4
139.11205	17.8
147.11665	5.8
149.13289	5.3
151.11217	14.7
157.08670	4.9
161.09718	4.1
161.13193	5.6
181.12245	4.4
241.19485	5.3
247.06564	4.1
259.20560	15.3
277.21564	62.9
278.21884	7.0
291.57462	5.2
295.09271	3.9
295.22617	100.0
298.07791	3.6
313.08374	4.5
313.58859	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.58689	3.5
54.15630	3.6
55.01877	19.4
55.05519	57.0
57.03436	6.2
57.07084	5.0
67.05179	6.1
67.05511	99.0
68.25066	3.3
69.03434	4.2
69.07072	50.6
71.04987	5.1
71.08631	22.2
79.05495	39.6
81.03438	4.7
81.07070	77.2
83.04996	8.8
83.08625	42.3
85.06547	5.3
91.05496	24.8
91.16176	3.8
93.07045	65.8
95.04984	19.9
95.08604	67.0
97.06535	16.1
97.10178	42.9
99.08074	9.0
105.07050	16.1
105.95644	4.2
107.08597	38.0
109.06521	5.6
109.10167	93.5
111.08080	7.7
111.71893	3.7
113.09679	3.7
117.06998	4.5
119.08587	27.1
121.10153	29.1
123.08067	7.4
123.11694	16.0
125.09634	25.7
128.75241	3.8
132.48358	4.7
133.10139	25.6
135.11673	25.8
137.09644	22.3
139.11189	23.4
147.08012	4.0
147.11679	20.0
149.13278	18.1
151.11205	17.7
155.10648	8.3
159.11665	6.7
161.13266	6.2
163.11148	5.7
165.12755	15.5
173.11728	46.1
175.14754	4.1
189.11232	9.5
195.13820	6.5
241.19592	6.9
249.22154	8.5
259.20529	5.9
267.13715	4.6
277.21622	100.0
278.21979	4.5
295.22479	91.2
313.10968	5.7
313.14377	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.6
55.05518	28.6
57.07082	3.2
57.80718	1.7
67.05510	44.7
69.07068	43.8
69.55190	1.9
71.04987	4.1
71.08636	3.4
79.05501	25.2
81.03419	3.0
81.07063	84.6
81.77406	2.1
83.04997	8.2
83.08627	45.3
85.06539	8.6
91.05486	22.0
93.06478	3.2
93.07045	62.4
95.04978	10.5
95.08608	100.0
96.32278	1.7
97.06547	17.1
97.10172	10.8
99.08086	15.4
105.07047	25.9
107.08608	42.6
108.41014	1.8
109.06532	4.0
109.10159	30.8
111.08088	16.8
113.09661	28.5
117.07034	2.9
119.08621	19.6
121.10133	31.3
123.08051	9.6
123.11705	10.4
125.09657	6.6
127.11189	2.5
129.07004	2.8
129.09113	15.5
131.08575	12.0
132.03836	2.1
133.10153	24.1
135.11696	26.9
137.09631	4.3
139.11205	3.3
143.08571	3.7
145.10127	11.2
147.07997	2.1
147.11676	31.1
149.09631	3.4
149.13234	17.1
151.11224	9.9
153.95844	2.6
157.10126	8.2
159.11679	9.0
161.13263	12.7
163.11313	2.4
163.14810	4.5
165.12755	10.7
171.11700	10.0
173.13307	3.0
175.11223	4.0
175.14853	3.8
179.14265	2.3
185.13324	2.5
189.12759	11.9
195.13838	7.7
207.13811	8.6
221.15338	3.2
223.16904	4.7
225.14885	2.5
241.19533	2.4
259.20651	12.4
272.08554	2.3
277.21634	93.5
278.21936	16.3
295.22415	36.5
296.22928	4.6
313.17844	7.1
313.21213	3.7
313.24683	2.5
314.95535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01875	10.6
55.05518	28.6
57.07082	3.2
57.80718	1.7
67.05510	44.7
69.07068	43.8
69.55190	1.9
71.04987	4.1
71.08636	3.4
79.05501	25.2
81.03419	3.0
81.07063	84.6
81.77406	2.1
83.04997	8.2
83.08627	45.3
85.06539	8.6
91.05486	22.0
93.06478	3.2
93.07045	62.4
95.04978	10.5
95.08608	100.0
96.32278	1.7
97.06547	17.1
97.10172	10.8
99.08086	15.4
105.07047	25.9
107.08608	42.6
108.41014	1.8
109.06532	4.0
109.10159	30.8
111.08088	16.8
113.09661	28.5
117.07034	2.9
119.08621	19.6
121.10133	31.3
123.08051	9.6
123.11705	10.4
125.09657	6.6
127.11189	2.5
129.07004	2.8
129.09113	15.5
131.08575	12.0
132.03836	2.1
133.10153	24.1
135.11696	26.9
137.09631	4.3
139.11205	3.3
143.08571	3.7
145.10127	11.2
147.07997	2.1
147.11676	31.1
149.09631	3.4
149.13234	17.1
151.11224	9.9
153.95844	2.6
157.10126	8.2
159.11679	9.0
161.13263	12.7
163.11313	2.4
163.14810	4.5
165.12755	10.7
171.11700	10.0
173.13307	3.0
175.11223	4.0
175.14853	3.8
179.14265	2.3
185.13324	2.5
189.12759	11.9
195.13838	7.7
207.13811	8.6
221.15338	3.2
223.16904	4.7
225.14885	2.5
241.19533	2.4
259.20651	12.4
272.08554	2.3
277.21634	93.5
278.21936	16.3
295.22415	36.5
296.22928	4.6
313.17844	7.1
313.21213	3.7
313.24683	2.5
314.95535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.17170	1.7
55.01868	3.3
55.05516	8.7
57.03439	3.5
57.07085	13.6
59.44337	1.7
60.45530	1.7
67.05517	26.1
68.05822	2.2
69.07056	12.3
71.04987	9.9
71.08633	47.2
74.01205	1.7
79.05499	12.2
79.18632	2.0
80.20551	2.1
81.03419	2.2
81.07061	23.1
82.07394	3.2
83.04971	9.3
83.08598	13.9
85.06534	7.6
91.05508	7.0
93.07030	17.3
95.04956	2.9
95.08611	24.0
96.08974	2.6
97.06523	3.6
97.10150	10.8
98.07577	1.8
99.08079	26.6
105.06999	3.5
107.08598	16.5
107.82714	2.2
109.10140	16.6
110.10427	2.4
111.08003	2.6
119.08588	4.6
121.10133	12.9
123.08050	2.3
123.11671	2.2
125.09637	3.6
127.11205	11.1
133.10114	8.5
135.08018	2.8
135.11691	14.4
137.09615	5.0
141.12749	62.9
143.08328	1.8
145.10114	4.3
147.11700	3.7
149.13286	3.4
151.11163	8.0
153.12758	7.9
161.13231	10.0
163.11205	16.4
169.12206	12.8
171.11732	2.2
179.14262	3.8
193.15936	2.4
259.20532	2.8
277.21567	41.3
278.21939	29.9
294.63666	2.1
295.22366	100.0
296.22925	24.4
313.58450	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
55.05510	2.2
67.05510	18.6
68.80646	2.0
69.07079	16.0
75.37386	2.3
79.05495	9.2
81.07063	35.9
83.08616	8.7
85.06505	2.0
91.05446	2.6
93.07056	15.0
95.08617	40.2
97.06521	8.5
97.10179	4.7
107.08584	13.1
109.10159	35.6
110.09697	4.1
117.07024	3.4
119.08586	4.1
121.10148	33.3
123.08073	2.3
123.11697	10.0
125.09553	3.6
131.08545	2.8
133.10147	13.3
135.11707	16.0
135.29510	2.2
137.09535	2.8
138.09200	3.1
138.12744	2.1
139.07523	26.1
139.11182	10.0
145.10149	4.7
147.11690	2.8
149.09625	9.1
149.13277	3.8
151.11191	4.8
156.10208	4.4
159.11723	8.8
167.10640	11.8
173.13246	3.0
184.13354	11.4
207.06497	2.2
214.89290	2.2
215.17966	15.7
225.16255	3.3
232.20547	12.7
233.19009	11.0
235.20529	3.5
243.17406	2.8
250.21657	8.3
252.07777	2.8
252.23274	4.7
261.18546	16.0
278.21222	2.7
279.19608	14.8
296.22189	100.0
298.07834	2.4
308.09280	2.6
313.07883	16.5
313.24835	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71902	1.7
55.05516	8.8
67.05501	19.4
69.07058	12.8
71.05009	4.8
79.05492	8.8
79.47088	1.9
81.07059	34.5
83.04983	3.2
83.08630	5.6
85.06550	10.4
91.05477	13.9
92.05794	2.3
92.76907	2.0
93.07043	29.6
95.04958	4.3
95.08607	31.0
97.10144	2.4
99.08130	2.5
105.07048	28.2
107.08602	30.9
109.06548	3.9
109.10156	25.7
111.08076	4.5
116.98444	2.1
117.07021	9.6
119.08578	24.6
121.10139	23.1
123.08082	20.5
123.11717	3.9
125.05951	2.4
129.07005	2.4
131.08585	17.6
133.10126	34.5
135.08125	4.8
135.11668	23.3
137.09636	4.2
139.11140	2.5
143.08542	10.6
145.10126	56.8
147.11696	14.5
149.09581	3.7
149.13254	11.6
155.08542	10.9
157.10135	30.1
159.11678	31.7
161.09647	3.4
161.13220	10.0
163.14760	4.1
169.10114	11.1
171.11595	19.1
173.13211	15.7
175.14844	3.7
177.12704	4.2
181.10196	2.8
183.11629	9.4
185.13153	15.5
187.14838	14.5
189.16327	3.6
191.14297	2.6
195.11676	4.3
197.13222	20.6
199.14757	15.5
201.07254	2.6
201.16324	3.9
211.14822	17.7
213.16493	2.4
225.16312	15.6
237.16408	3.3
239.17827	12.5
251.17896	3.9
252.18484	3.5
253.19562	8.8
255.17334	4.2
277.21661	9.5
281.22610	73.2
295.20413	36.0
313.21603	66.5
313.25244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31298	1.7
55.05515	3.3
56.08238	1.6
57.03435	7.9
57.04414	1.6
57.07080	39.7
59.79693	1.6
67.05496	12.4
69.07063	10.7
71.04961	2.4
71.08627	28.2
79.05491	4.0
81.07059	22.3
83.08616	8.1
84.46268	1.6
85.06544	2.6
85.10192	16.2
85.70831	2.0
91.05468	7.7
93.07034	16.8
95.04953	2.0
95.08597	34.1
97.06521	16.7
97.10131	2.6
99.08088	2.3
105.07024	15.7
107.08588	19.2
109.06515	59.5
109.10136	21.1
111.08072	10.0
119.08581	12.4
121.10143	8.1
123.08060	17.0
123.11680	4.7
129.06946	2.8
131.08594	14.7
133.10114	11.5
135.08046	13.4
135.11699	3.6
137.09602	10.3
143.08585	14.2
145.10127	21.1
147.07947	2.4
147.11676	10.0
155.08527	4.1
157.10123	15.7
157.20284	2.0
159.11690	23.2
161.13217	4.7
163.11145	2.3
163.14905	2.6
165.44287	1.8
169.10104	4.3
171.11665	19.0
173.13239	12.9
175.14772	8.1
182.45425	1.9
183.11630	14.0
185.13226	12.1
187.11124	3.4
187.14825	10.0
189.16359	9.9
195.11766	4.5
197.13225	18.9
199.14809	11.0
201.12715	2.3
211.14793	11.1
221.13269	4.7
225.16354	11.8
237.16492	3.8
239.14207	3.0
239.17999	9.6
251.17940	3.4
252.18704	4.6
253.19502	4.6
255.17502	8.9
271.20377	3.4
277.19467	10.1
281.22632	66.4
295.20456	34.7
313.17859	4.9
313.21552	100.0
313.25055	59.1
313.27588	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81200	0.9
55.05514	5.9
57.03446	15.5
57.07082	49.3
60.72561	1.1
61.24434	1.0
61.24797	0.9
62.71363	1.1
67.05520	10.2
69.07076	8.8
71.04961	1.0
71.08630	32.1
76.35468	1.1
79.05470	1.7
81.07063	10.0
83.08628	10.0
85.10182	18.7
89.06045	1.6
93.07027	2.2
95.04929	1.4
95.08613	19.8
97.10169	6.0
98.25828	1.0
100.07608	1.6
103.07519	2.1
105.39758	1.1
109.10158	8.9
111.11695	1.2
113.09618	1.6
117.42508	1.1
121.10117	2.2
123.11687	4.5
130.91803	1.2
154.12260	1.3
163.74809	1.2
165.12759	2.6
174.78523	1.3
185.62392	1.2
257.24863	1.9
277.21661	2.6
278.22037	1.2
295.22665	17.8
313.14493	2.3
313.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
55.20693	0.8
57.03440	9.0
57.07080	41.0
60.38485	1.0
67.05503	6.5
69.07062	6.6
71.08630	27.2
76.76630	0.9
81.07059	9.5
83.08615	5.7
85.10176	17.1
90.49016	0.9
93.07051	1.4
95.08604	16.6
97.10168	4.8
109.10153	6.2
111.11697	1.3
121.10118	1.1
123.11712	4.1
295.17065	1.0
313.17676	1.8
313.27362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21591	0.8
55.05511	4.8
55.88538	0.7
56.82001	0.7
57.03445	14.2
57.07084	47.6
67.05515	9.1
69.07081	8.4
71.08637	31.2
81.07072	11.1
81.62508	0.9
83.08639	9.7
85.10190	16.6
86.08781	0.8
89.06031	1.4
95.08608	15.8
96.89050	1.0
97.06526	1.1
97.10165	4.8
106.55872	0.9
109.10151	8.2
112.59669	0.8
112.73468	1.0
112.76791	0.8
123.11719	1.7
154.81505	0.8
163.44476	0.8
169.68654	0.7
224.69676	1.0
239.23711	3.8
257.24689	2.1
298.08322	4.7
313.10724	7.7
313.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96714	0.6
53.32222	0.5
58.06609	25.4
63.27921	0.5
69.73025	0.6
76.92797	0.6
97.30102	0.6
107.04955	10.0
121.06541	0.8
127.66857	0.6
137.05952	0.8
143.04936	0.9
145.06529	0.9
151.07562	1.2
175.07547	2.9
212.07072	1.2
224.07170	3.0
225.07814	0.7
237.09105	1.2
240.06566	1.2
255.05235	11.5
268.09814	0.9
269.11932	4.4
270.07611	62.2
271.13254	1.0
296.05591	2.9
296.09241	11.0
299.11539	2.8
314.06638	100.0
314.10153	17.6
314.14081	4.1
314.17453	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81875	0.4
55.41943	0.4
61.62397	0.5
68.97375	0.5
75.62108	0.5
95.48192	0.5
116.75418	0.5
121.06507	0.9
137.06042	0.5
137.90854	0.5
163.63945	0.5
166.06409	0.7
212.07025	1.2
214.08569	0.6
224.07014	3.2
227.05664	1.1
240.06543	2.9
242.08073	2.5
254.08202	0.8
255.05275	12.5
257.04694	0.6
270.07590	69.1
282.07425	1.3
296.05527	3.2
298.10742	1.3
299.11429	3.8
314.06555	100.0
314.10184	25.2
314.13843	12.0
329.90173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82029	0.2
55.33634	0.2
60.23911	0.2
61.64386	0.3
65.39301	0.2
66.93195	0.3
71.22401	0.2
92.20891	0.3
121.06477	0.3
136.73534	0.3
152.07019	0.3
211.06186	0.6
212.07039	1.8
214.08688	0.4
219.89114	0.3
224.07047	3.5
225.07846	1.5
226.05199	0.3
226.08640	0.5
227.05757	0.6
231.55075	0.3
240.06560	1.7
242.08195	2.3
255.05252	12.3
268.06079	0.5
270.07593	68.4
286.07126	0.3
291.13922	0.3
296.05603	2.7
298.10553	0.4
299.11511	0.4
314.06577	100.0
314.14017	3.2
314.17554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14503	0.4
54.35783	0.3
56.33901	0.4
60.70026	0.4
72.08160	0.7
72.20426	0.4
84.74947	0.5
88.02014	0.4
116.07102	0.6
164.07039	5.4
212.07127	0.6
224.07042	3.6
225.07829	0.8
240.06587	2.5
242.08076	1.0
250.91049	0.5
255.05261	10.0
268.06049	0.5
269.12186	1.0
270.07574	58.8
294.25925	0.5
296.05548	1.9
314.06586	100.0
314.09937	5.6
314.14081	3.4
337.58090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	5.1
60.47857	0.5
64.97391	0.5
65.01597	0.4
72.04485	0.6
78.62504	0.6
85.48641	0.5
107.04971	0.5
123.58327	0.6
152.04518	0.7
164.07063	6.8
176.07098	0.8
191.09424	9.4
210.07883	0.5
212.06943	1.2
224.07037	3.4
226.08636	0.7
227.05743	1.0
240.06461	1.1
242.08044	1.2
246.50945	0.6
255.05191	11.6
255.07602	0.7
270.07468	60.3
283.09567	1.2
296.05438	3.4
297.05710	2.6
314.06494	100.0
314.13879	12.7
338.84711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91914	0.3
66.39571	0.2
70.11996	0.3
73.00713	0.3
84.85725	0.3
85.58404	0.3
89.91756	0.3
142.40085	0.4
176.18690	0.3
211.06328	0.3
212.07077	2.6
224.07008	4.4
225.07854	1.7
226.08614	0.5
227.05765	1.2
240.06535	2.2
242.08141	2.0
255.05229	13.7
270.07584	74.3
296.05511	3.5
314.06552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.3
97.01060	0.3
125.80831	0.3
128.07072	2.0
212.07056	1.5
224.07050	3.5
225.07823	0.8
226.08524	0.5
227.05942	0.4
240.06558	1.6
242.08119	2.5
255.05251	11.9
270.07593	70.7
296.05536	3.7
314.06573	100.0
314.17145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0915
Annotation	Neoamphimedine
Peak:m/z	Relative Intensity
55.11974	0.4
56.58829	0.5
57.80457	0.4
61.01151	0.7
69.03418	0.6
84.18417	0.5
97.02895	46.7
121.06477	8.2
125.04739	2.8
134.09645	0.5
136.06189	100.0
142.69650	0.6
143.01608	2.2
152.07082	1.0
161.02673	1.1
164.05670	6.8
167.07178	0.5
178.07254	2.7
179.03699	1.3
180.06589	2.0
188.60468	0.5
208.09431	0.6
214.67555	0.5
220.92278	0.5
296.08096	3.8
296.11160	1.6
314.09155	18.1
314.12357	2.5
314.15665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73608	0.4
61.38551	0.6
62.53627	0.4
68.31922	0.5
68.33256	0.6
83.46047	0.5
97.02894	44.9
112.62870	0.6
121.06512	10.1
135.53671	0.6
136.06187	100.0
143.01619	1.1
161.02675	0.8
164.05666	8.5
174.95287	0.6
178.07216	2.2
179.03767	2.3
181.87737	0.6
232.08295	0.7
270.07623	1.1
278.06915	0.6
296.08023	3.6
296.11118	1.7
314.09204	18.9
314.12366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59875	0.5
56.15772	0.4
58.06591	1.0
59.40456	0.5
62.41687	0.5
70.06565	0.9
89.69610	0.5
98.64288	0.6
118.64962	0.5
123.04431	0.6
164.07063	3.2
191.09315	0.9
192.10085	0.9
207.08936	0.8
226.08565	0.8
227.09428	4.0
249.32707	0.6
252.06358	0.6
254.08110	2.4
255.08885	42.6
270.07639	6.4
270.11206	22.1
271.08426	1.1
271.55618	0.6
282.07736	0.8
286.10794	1.1
296.05524	4.3
296.08823	1.6
299.07886	16.6
299.11182	1.1
314.06598	11.3
314.10196	100.0
314.13721	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1022
Annotation	Penicidone B
Peak:m/z	Relative Intensity
51.59136	0.4
58.06610	12.2
58.07068	0.4
59.28205	0.4
60.10397	0.4
69.25780	0.4
107.04952	4.9
107.18002	0.4
121.06506	1.9
135.04353	0.5
137.05983	0.7
145.06494	0.5
147.23051	0.5
151.03964	0.7
151.07521	0.9
152.04294	0.9
154.33876	0.5
163.07549	1.6
174.34569	0.4
175.07597	0.5
193.05013	1.1
209.02718	0.9
209.09779	0.4
225.07904	1.9
226.08743	0.8
253.07397	1.8
254.08090	0.7
257.06879	0.8
268.09689	6.4
270.07642	9.2
270.10446	9.0
281.06778	3.2
286.07159	0.6
296.09158	62.3
298.10794	1.0
299.08170	0.6
299.11322	3.8
314.10199	100.0
314.13828	12.8
314.17633	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1022
Annotation	Melicopine
Peak:m/z	Relative Intensity
58.06605	41.8
60.56653	0.8
70.06587	9.6
72.08135	1.8
77.90023	0.7
79.61418	0.7
86.09688	1.2
86.63494	0.9
107.04957	12.5
107.11419	0.9
112.69254	0.9
121.06512	9.7
134.06068	1.0
135.08014	2.1
136.06201	5.0
137.05995	3.5
143.04733	0.9
145.06458	2.0
151.03903	8.5
151.07547	9.1
152.07031	3.4
165.09088	1.1
169.13318	1.5
175.07545	3.6
178.36925	0.9
179.07007	9.7
192.10110	1.2
197.12770	1.2
222.93283	1.0
237.09149	1.8
239.09265	2.0
251.06999	10.3
254.08167	1.1
255.05347	1.7
269.11694	3.4
270.07626	11.7
270.13330	1.2
283.09790	8.6
284.09116	17.5
285.08273	1.5
296.09094	29.2
296.18820	1.1
298.10709	22.1
299.08133	1.7
299.11517	40.1
314.06476	16.4
314.10196	87.1
314.13773	100.0
314.17505	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1022
Annotation	Melicopine
Peak:m/z	Relative Intensity
54.43388	0.3
56.04652	0.3
59.79524	0.3
79.05480	0.8
85.97098	0.3
90.95462	0.4
95.96798	0.4
98.15487	0.4
103.05463	6.1
107.04955	3.7
131.04926	4.8
149.05923	0.5
166.06119	3.5
191.03526	0.4
192.10315	0.4
226.08607	1.8
227.09373	3.3
254.08168	0.6
255.08881	43.6
270.07620	4.9
270.11203	22.1
270.14169	0.4
271.08411	1.6
286.10770	0.7
299.07864	19.5
314.06693	6.4
314.10196	100.0
321.75421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1023
Annotation	Melicopine
Peak:m/z	Relative Intensity
54.38622	0.6
70.06594	6.8
79.05490	0.8
93.75814	0.5
103.05477	9.8
107.04915	4.5
131.04906	4.7
133.99916	0.6
135.08067	2.9
139.82503	0.6
149.05963	0.7
160.36140	0.7
164.07066	1.3
166.06078	4.2
169.13391	1.3
177.07802	1.3
190.08676	0.8
197.12852	0.7
226.08647	1.0
227.09496	2.3
254.08102	3.3
255.08884	21.3
270.07565	8.3
270.11212	11.9
282.11008	0.7
296.15140	1.0
298.07013	1.1
299.07883	9.3
299.11514	15.9
314.06421	10.0
314.10260	64.1
314.13870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	Pessoine
Peak:m/z	Relative Intensity
50.24804	0.5
50.33517	0.5
50.59568	0.5
51.51837	0.5
53.38763	0.6
55.40376	0.5
58.06605	22.4
60.57615	0.6
77.80759	0.6
78.24302	0.6
86.24615	0.7
107.04961	8.0
117.70444	0.7
129.33325	0.6
137.05934	0.9
141.09978	0.6
151.07509	6.3
152.07077	1.6
162.05493	0.8
165.09094	1.1
175.07521	1.6
268.13351	0.7
269.11740	2.7
271.13306	1.3
278.84174	0.7
296.12811	0.9
298.10736	18.8
299.11508	39.2
314.13809	100.0
314.17484	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1379
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
58.06584	1.1
80.48438	0.6
91.05473	3.4
92.20880	0.7
93.07036	7.0
103.05462	3.2
117.03372	5.2
121.06501	62.5
145.02844	60.5
149.05977	1.3
175.50224	0.6
177.05460	100.0
194.08211	1.0
252.91228	0.7
292.58160	0.8
306.07614	1.0
306.58032	3.0
314.10065	4.1
314.13873	50.9
314.17160	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1384
Annotation	Pessoine
Peak:m/z	Relative Intensity
51.35136	0.7
60.04532	7.7
69.03444	1.1
72.04535	0.8
85.02895	3.4
86.09739	1.1
87.04483	0.7
97.02905	1.0
106.06593	0.8
120.08089	1.5
127.03931	0.9
134.05965	7.0
135.08046	7.4
150.05469	1.0
152.07062	4.5
152.10692	11.4
162.09204	1.3
167.08524	1.0
176.07051	0.9
177.07787	1.1
178.08640	9.1
181.06265	1.1
189.09241	0.9
190.08565	0.8
195.08035	7.7
211.07410	1.1
219.08235	0.8
219.22743	0.8
223.07509	14.2
229.50592	0.8
237.09084	1.1
250.10703	1.3
253.08638	1.7
255.05247	1.2
255.10255	9.7
268.11862	1.8
269.11731	1.3
270.07498	5.6
282.11093	1.0
296.08786	1.1
296.15005	4.2
297.09766	1.3
299.11575	10.8
314.06436	8.9
314.10184	21.7
314.13779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	Pessoine
Peak:m/z	Relative Intensity
50.95272	0.4
58.06354	0.6
58.06607	9.5
60.56735	0.4
65.03827	0.3
96.44664	0.3
121.06506	3.7
123.04480	0.5
133.06483	0.6
135.24525	0.4
137.05969	1.0
143.04991	0.5
151.07645	0.4
161.05997	0.7
162.05533	0.6
165.09111	0.8
248.02177	0.4
258.97772	0.5
268.13223	0.6
269.08112	0.8
281.10214	0.5
284.09180	1.5
287.12476	0.5
296.12671	0.9
298.10739	18.7
299.11508	42.9
313.12222	0.5
314.10178	13.8
314.13834	100.0
314.17453	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81838	0.4
75.43042	0.5
93.82381	0.5
103.38329	0.6
105.52841	0.5
110.29381	0.5
151.07518	7.9
152.07095	2.4
162.05449	0.7
165.09032	0.7
230.23654	0.6
268.13327	0.8
270.07684	1.1
282.10873	0.7
284.09174	0.8
285.09888	0.8
296.12823	2.4
298.10736	21.5
299.11514	37.0
314.13843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Pessoine
Peak:m/z	Relative Intensity
58.06607	2.8
60.94411	0.1
62.74080	0.1
73.14007	0.1
82.62277	0.2
97.81641	0.2
107.04969	1.1
133.06531	0.2
137.06003	0.9
138.05536	0.2
151.07530	6.6
152.07074	2.0
162.05501	0.8
164.07066	0.2
165.09091	1.2
175.07538	0.3
176.06995	0.3
187.67233	0.2
236.10664	0.2
238.08513	0.2
264.10278	0.2
264.20834	0.2
268.13229	0.6
270.07831	0.3
281.10495	0.2
281.88690	0.2
282.11194	0.4
284.09280	1.7
285.10159	1.2
296.09137	1.7
296.12790	1.4
298.10736	21.5
299.11514	36.8
314.10406	6.2
314.13840	100.0
314.17120	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Pessoine
Peak:m/z	Relative Intensity
53.81838	0.4
75.43042	0.5
93.82381	0.5
103.38329	0.6
105.52841	0.5
110.29381	0.5
151.07518	7.9
152.07095	2.4
162.05449	0.7
165.09032	0.7
230.23654	0.6
268.13327	0.8
270.07684	1.1
282.10873	0.7
284.09174	0.8
285.09888	0.8
296.12823	2.4
298.10736	21.5
299.11514	37.0
314.13843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34750	0.2
103.09763	0.2
160.07561	0.3
162.33537	0.3
164.07140	0.3
176.07095	1.1
177.07797	2.2
178.08513	0.4
190.08586	1.1
191.09398	0.4
226.38536	0.2
255.08768	2.6
270.11221	2.7
282.11188	0.4
284.09283	0.5
296.09061	0.3
298.10718	1.1
299.07837	1.3
299.11472	17.6
314.10239	11.4
314.13791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71947	0.2
70.06571	0.4
77.24436	0.3
84.83355	0.3
86.15473	0.3
89.41885	0.3
96.46803	0.3
123.04420	0.4
151.07564	0.3
176.07086	0.7
177.05458	0.5
177.07820	1.7
190.08627	1.8
191.09344	0.4
192.10123	0.3
205.16957	0.4
223.07414	0.6
239.09335	0.6
254.11523	0.3
270.11105	0.6
282.11029	0.5
284.09268	0.4
296.08987	1.4
298.11017	0.5
299.11490	16.1
314.10379	6.1
314.13818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	Pessoine
Peak:m/z	Relative Intensity
52.50218	0.5
54.22731	0.6
60.04530	11.0
70.06596	4.3
72.04520	0.7
79.74920	0.5
85.02895	2.3
91.05491	2.4
91.88412	0.6
97.02876	0.7
106.06564	3.3
109.06511	0.8
116.04967	1.3
127.03870	0.8
134.06013	52.4
135.08083	1.0
140.03387	0.7
147.04414	0.7
148.46123	0.6
149.05972	1.2
152.07051	6.8
164.07051	1.2
167.08574	1.0
169.13237	0.7
184.77127	0.6
190.08618	0.8
195.08055	8.8
209.09550	0.6
211.07649	2.4
219.08083	0.8
223.07520	18.9
230.08238	1.1
235.69130	0.7
237.09058	2.7
243.09932	0.8
253.08582	2.4
255.05394	1.1
255.10289	11.3
270.07587	13.1
270.11026	2.0
296.05588	0.8
296.08908	2.3
298.10712	1.1
299.07944	3.1
299.11517	11.4
314.06451	17.3
314.10199	39.4
314.13852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1384
Annotation	(+)-Norcularidine
Peak:m/z	Relative Intensity
57.50284	0.2
57.89106	0.3
58.06609	2.2
63.12508	0.3
64.35350	0.4
72.08144	1.4
75.86620	0.3
87.04479	0.3
97.53260	0.4
104.38303	0.3
107.04971	0.4
116.07099	1.2
136.06221	0.4
144.71858	0.3
149.16055	0.4
161.05919	0.5
162.05496	1.1
164.07054	100.0
174.05481	0.5
212.07053	0.4
224.07008	1.7
225.07835	0.5
227.05811	0.3
240.06551	0.7
255.05228	5.8
268.09653	1.6
270.07584	29.4
296.05685	1.6
314.06555	45.4
314.10138	5.7
314.13855	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1382
Annotation	(+)-Norcularidine
Peak:m/z	Relative Intensity
58.06600	1.0
64.62012	0.2
72.08141	0.7
116.07092	0.4
137.05984	0.8
138.03049	0.2
161.05968	1.3
162.05482	0.9
164.07053	100.0
191.09421	0.3
193.08450	0.2
225.07852	0.2
251.06779	0.2
255.05251	1.4
270.07550	8.3
296.05685	0.6
296.12726	0.7
299.11530	0.4
314.06659	11.9
314.10312	2.8
314.13812	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Norisosalutaridine
Peak:m/z	Relative Intensity
50.22333	0.7
50.70265	0.7
58.06607	29.2
66.90742	1.0
90.10854	0.9
108.08231	0.9
113.91417	1.0
137.06067	1.1
147.79205	1.0
149.00407	1.1
152.07045	1.5
178.08572	1.0
205.06544	2.0
209.02661	5.0
223.07552	22.8
233.06079	3.8
251.07016	91.7
269.08069	69.5
270.07578	1.9
299.11511	1.0
314.06445	4.0
314.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Benzyloxyphenylisoserine Ethylester
Peak:m/z	Relative Intensity
50.76973	0.2
62.82231	0.2
68.86711	0.2
70.06578	1.0
78.02512	0.2
82.73308	0.2
89.60444	0.2
103.05500	1.5
107.04962	0.4
117.83520	0.2
123.04489	0.3
131.04836	0.3
135.08049	0.5
135.45073	0.2
140.51773	0.2
150.82471	0.2
164.07190	0.3
166.06117	0.8
169.13347	0.3
176.07053	0.4
177.07840	1.4
190.08662	1.9
192.10294	0.3
227.19528	0.2
254.08176	0.3
255.08875	3.2
270.07608	1.0
270.11218	1.5
282.11331	0.5
298.10657	1.2
299.07895	1.3
299.11484	16.3
314.10373	9.2
314.13837	100.0
339.63110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	(+)-Norcularidine
Peak:m/z	Relative Intensity
50.17736	0.2
54.29471	0.2
54.40765	0.2
56.89025	0.2
58.06358	0.3
58.06609	5.7
59.06927	0.9
70.06567	0.3
72.04474	0.2
72.08147	1.5
116.07082	1.0
136.06154	0.4
137.05984	0.4
161.05992	0.3
162.05504	1.2
163.06453	0.3
164.07053	100.0
167.07199	0.3
191.09406	0.4
207.08902	0.3
212.07043	0.4
224.07103	1.5
225.07803	0.3
226.08598	0.3
227.05650	0.3
240.06514	0.8
242.08031	0.5
251.07059	0.4
252.06511	0.4
255.05217	4.8
268.09811	0.4
269.07895	0.3
270.07498	21.6
271.08398	0.2
296.05612	2.7
296.08780	0.4
296.12653	0.4
299.11346	0.3
314.06549	33.8
314.10126	7.6
314.13843	44.0
314.16467	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23207	0.9
58.06607	22.2
63.75337	1.0
74.34724	1.1
83.00157	1.2
107.04956	36.6
117.34825	1.2
121.06530	2.7
137.05937	4.3
143.04912	9.7
145.06445	5.0
151.07629	1.2
175.07550	5.8
177.09151	1.1
192.10289	1.5
194.11664	1.2
209.09546	3.9
227.82535	1.6
237.09074	6.1
269.11667	10.5
271.13309	1.3
288.26392	1.2
314.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06606	97.3
62.55135	0.5
69.12474	0.5
107.04954	36.4
117.06966	0.6
121.06499	4.8
131.04936	0.7
137.05971	5.6
143.04939	3.6
145.06491	4.8
147.08089	1.1
149.06009	0.9
151.07538	2.8
160.05200	0.8
163.07558	0.8
169.38457	0.6
175.07526	8.8
191.08482	0.9
192.10176	1.4
193.10974	0.8
194.11728	0.6
209.09612	3.8
209.43654	0.6
231.92448	0.5
237.09160	5.0
239.10533	2.6
269.11713	11.8
271.13226	3.6
282.14758	0.6
298.10690	2.9
298.91522	0.7
299.11517	1.4
299.15009	0.7
314.13919	8.3
314.17450	100.0
335.37225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	28.3
62.49683	0.7
72.44193	0.7
74.41456	0.7
82.13908	0.7
85.73200	0.7
107.04955	47.3
112.32146	0.9
112.76972	1.0
115.05437	1.5
121.06506	4.9
131.17108	0.9
137.05960	7.0
143.04927	10.8
145.06430	6.4
147.08061	1.1
151.07574	1.4
152.39839	0.8
163.07593	1.1
174.91553	0.8
175.07539	6.0
177.09097	1.1
209.09683	3.2
237.09093	7.3
254.09390	0.9
269.11731	14.4
271.13303	3.5
280.26758	0.9
314.17487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38490	0.5
58.06606	25.3
74.62926	0.5
75.48733	0.6
84.41347	0.5
94.53712	0.6
95.04980	0.6
107.04250	1.4
107.04957	40.3
107.05685	1.4
108.40604	0.5
115.05447	1.1
121.06506	4.2
137.05952	5.3
143.04933	9.0
145.06491	4.9
147.08040	1.3
163.07581	0.8
174.86723	0.7
175.07562	6.4
177.09088	2.6
181.67584	0.6
186.90428	0.6
192.10216	1.0
194.11781	1.0
209.09567	2.6
211.11351	0.7
232.89738	0.6
237.09096	6.0
239.10617	1.0
269.11700	14.2
271.13245	3.4
314.17471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Laurifine
Peak:m/z	Relative Intensity
54.90389	0.9
58.06354	1.5
58.06612	23.6
59.06995	0.9
71.15844	0.9
73.97704	0.9
75.77745	1.0
107.04967	45.7
117.89469	1.2
121.06502	1.8
137.05978	7.1
137.29829	1.1
143.04965	9.7
145.06549	4.7
175.07515	4.2
192.10277	2.1
209.09468	1.8
211.11182	1.5
237.09137	5.9
263.47763	1.2
269.11749	13.1
271.13309	2.5
278.33731	1.3
280.65259	1.0
282.15024	1.2
314.17502	100.0
338.41180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Laurifinine
Peak:m/z	Relative Intensity
56.43795	0.4
57.07085	0.7
60.04523	2.3
65.05521	0.4
67.05476	0.6
71.08606	0.6
75.83865	0.5
78.49349	0.5
79.05478	0.8
81.07037	1.1
91.05509	0.6
95.08616	0.8
107.08574	0.6
109.10166	0.8
111.56112	0.4
121.10128	0.6
132.08076	0.6
165.54767	0.5
172.93172	0.5
188.06976	1.1
189.93658	0.5
197.81598	0.5
200.07062	100.0
212.10698	0.7
214.08644	7.9
222.74747	0.4
226.08600	2.5
228.10155	7.3
240.10182	5.8
242.11737	2.3
270.07541	2.6
296.16437	8.2
296.25775	1.1
314.06537	3.0
314.17502	62.7
314.26965	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1745
Annotation	Laurifine
Peak:m/z	Relative Intensity
55.93437	0.6
58.06608	86.5
72.64996	0.8
74.09777	0.7
75.36499	0.9
88.91816	0.7
96.79543	0.8
107.04959	33.2
109.77776	0.9
118.87478	0.9
121.06502	5.0
137.05951	3.9
143.04933	1.6
145.06508	5.3
147.08061	0.9
151.07550	1.5
160.05229	1.1
175.07538	9.8
192.10268	1.5
193.11102	1.0
209.09608	3.8
237.09100	6.2
239.10561	1.3
269.11615	12.5
271.13287	2.0
276.06458	1.0
299.11475	2.0
314.13968	9.4
314.17462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93759	0.9
58.06612	24.0
69.62814	0.9
73.66328	1.1
80.57674	1.2
107.04965	44.3
110.56442	1.0
115.05453	1.5
121.06475	4.6
137.05981	4.9
143.04929	9.5
145.06497	6.3
148.75194	1.1
151.07524	2.1
163.07541	1.5
175.07552	2.6
177.09093	1.5
197.27473	1.2
207.96042	1.4
209.09627	1.7
237.09038	6.5
252.40227	1.1
269.11688	12.9
271.13278	2.3
314.17490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Laurifine
Peak:m/z	Relative Intensity
54.22429	0.4
57.47949	0.5
58.06607	68.4
64.60766	0.5
74.85988	0.6
77.25895	0.7
81.22251	0.6
92.20967	0.7
107.04959	3.8
121.06504	29.7
123.04426	2.8
135.08044	5.7
137.05971	2.6
143.04909	3.0
159.08060	2.5
161.05972	8.6
163.07578	0.9
199.82066	0.6
250.62770	0.6
269.11630	6.9
271.13287	3.2
282.07602	1.5
294.07825	1.0
298.10754	5.1
299.11539	10.3
310.94617	0.7
314.10117	30.6
314.13797	25.9
314.17474	100.0
334.10596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06607	78.6
60.32790	0.5
63.85553	0.7
70.89829	0.5
84.94006	0.6
107.04958	31.5
121.06479	4.0
137.05959	3.4
143.04909	2.8
145.06451	5.0
147.08014	0.9
151.07532	2.5
163.07451	0.8
175.07538	9.5
192.10204	3.1
209.09637	3.7
211.11166	0.7
237.08989	4.9
239.10646	2.5
269.11664	10.3
271.13239	3.0
298.10721	2.2
299.11533	2.7
314.13928	8.2
314.17459	100.0
331.17905	0.7
337.44330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06319	1.0
58.06604	25.1
63.30156	0.4
93.01962	0.5
103.54262	0.5
106.45957	0.5
107.04954	42.7
107.40131	0.5
115.05421	0.7
119.04926	0.8
121.06509	4.5
125.39995	0.5
137.05038	0.5
137.05963	4.7
142.31203	0.5
143.04922	9.0
145.06483	5.5
147.08061	0.8
151.07585	1.0
157.06355	0.5
158.00052	0.5
162.75723	0.5
163.07571	0.9
175.07614	3.7
177.09084	1.0
178.30727	0.4
181.32613	0.4
192.10205	2.0
194.11746	1.7
209.09641	2.9
211.11250	1.0
233.26694	0.5
237.09132	5.9
239.10635	1.7
251.10512	0.5
254.09561	0.5
269.11703	14.7
271.13281	1.0
283.13226	0.9
314.17477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	23.5
84.97015	0.2
95.04933	0.3
107.04960	40.8
108.24458	0.2
115.05444	2.0
117.07024	0.4
119.04925	0.4
121.06506	3.8
123.70218	0.2
131.04941	0.4
132.91423	0.3
137.05998	5.3
143.04930	9.0
145.06496	5.1
147.08003	0.9
149.05904	0.2
151.07538	1.4
161.05959	0.3
163.07541	0.9
175.07564	5.3
176.08281	0.3
177.09102	2.1
191.08522	0.2
192.10127	2.0
193.10968	1.0
194.11752	0.5
202.92149	0.2
207.12550	0.5
209.09615	3.5
211.11177	1.2
219.08069	0.3
237.09087	5.2
239.10634	1.4
251.10619	0.3
254.09227	0.5
269.11728	13.2
271.13287	3.2
299.11673	0.3
314.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.1
55.47236	2.4
55.62398	2.4
57.07072	4.2
67.60566	2.6
69.07071	86.2
71.08617	3.5
91.25660	2.9
107.08630	2.6
157.10135	4.7
162.06290	2.9
171.08095	5.8
175.33023	2.6
185.09625	53.9
187.07545	5.8
200.08372	2.7
209.09581	3.0
213.09113	46.8
227.10706	16.7
229.08615	24.7
241.08575	87.0
241.12256	5.0
241.15959	10.6
251.14479	4.8
255.13753	6.1
268.10846	3.2
269.15320	61.1
297.14859	100.0
298.07703	3.7
314.06546	3.1
314.14203	5.7
314.17484	62.6
314.27493	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Laurifine
Peak:m/z	Relative Intensity
51.51122	0.8
58.06604	83.8
79.14452	0.8
95.21877	0.9
104.66626	1.0
107.04949	34.2
121.06500	3.9
127.05251	0.9
137.05943	4.1
143.04910	3.6
145.06425	4.7
147.08057	1.3
151.07532	1.4
175.07549	8.9
184.43329	0.9
202.07999	0.9
209.09566	2.0
220.85229	0.8
237.09088	5.0
239.10539	1.9
269.11710	10.4
271.13373	3.4
298.10696	1.6
299.08142	1.0
299.11475	5.7
314.10324	2.6
314.13852	11.4
314.17422	100.0
335.51242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
52.20532	1.1
54.61864	1.0
58.06313	2.4
58.06604	73.9
69.18413	1.1
76.88071	1.2
81.51038	1.1
95.00974	1.1
106.39089	1.1
107.04956	29.0
109.11780	1.2
115.05392	1.2
121.06461	2.2
131.90720	1.1
137.05908	4.2
143.04932	1.4
145.06412	1.8
147.08057	1.6
151.07578	2.7
152.14891	1.1
165.67102	1.2
175.07526	6.9
177.09100	1.3
181.02467	1.2
192.10115	1.4
206.92195	1.1
209.09563	2.7
224.59689	1.3
237.09048	5.5
269.11737	8.0
270.07578	2.1
271.13266	4.6
298.10687	6.1
299.11563	16.7
314.06485	2.2
314.10196	2.9
314.13824	43.9
314.17484	100.0
339.68246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06319	1.0
58.06604	25.1
63.30156	0.4
93.01962	0.5
103.54262	0.5
106.45957	0.5
107.04954	42.7
107.40131	0.5
115.05421	0.7
119.04926	0.8
121.06509	4.5
125.39995	0.5
137.05038	0.5
137.05963	4.7
142.31203	0.5
143.04922	9.0
145.06483	5.5
147.08061	0.8
151.07585	1.0
157.06355	0.5
158.00052	0.5
162.75723	0.5
163.07571	0.9
175.07614	3.7
177.09084	1.0
178.30727	0.4
181.32613	0.4
192.10205	2.0
194.11746	1.7
209.09641	2.9
211.11250	1.0
233.26694	0.5
237.09132	5.9
239.10635	1.7
251.10512	0.5
254.09561	0.5
269.11703	14.7
271.13281	1.0
283.13226	0.9
314.17477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
51.08840	0.6
57.06205	0.6
58.06607	21.2
79.65520	0.7
107.04956	44.4
107.45345	0.8
121.06509	4.9
128.08009	0.8
137.05963	4.5
143.04892	9.8
145.06458	5.6
147.08083	1.2
148.60727	0.8
151.07603	0.9
175.07521	6.7
175.82202	0.8
192.10251	0.9
194.11772	1.0
209.09656	2.9
237.09091	4.8
239.10533	0.8
269.11737	13.8
271.13229	1.7
314.17471	100.0
333.50482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56183	1.2
58.06607	25.6
62.08944	1.3
64.54279	1.1
97.62883	1.4
107.04955	40.0
121.06515	3.4
124.06062	1.3
129.16602	1.6
137.06010	4.8
143.04935	12.2
145.06467	7.1
150.14734	1.4
153.31044	1.4
166.29659	1.5
175.07565	2.6
192.10130	1.5
237.09010	5.8
269.11743	14.6
314.17490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1748
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06609	23.6
91.05454	0.1
95.04976	0.2
95.60439	0.1
107.04957	43.1
115.05439	1.3
117.06995	0.2
119.04926	0.6
121.02896	0.2
121.06503	4.8
131.04921	0.6
133.06512	0.2
137.05978	5.3
143.04922	9.4
145.06488	5.2
147.08037	1.0
149.05952	0.2
149.08351	0.1
151.07552	1.7
157.06476	0.2
160.05083	0.2
163.07599	1.0
166.19978	0.1
175.07535	4.9
176.10704	0.3
177.09131	1.6
189.09041	0.2
191.08502	0.2
192.10118	2.1
193.11021	0.3
194.11781	1.4
207.12534	0.6
209.06131	0.2
209.09590	3.2
211.11139	1.2
219.08102	0.2
237.09102	5.5
238.09920	0.2
239.10576	1.3
240.07796	0.2
251.10606	0.5
254.09360	0.6
256.10538	0.2
269.11710	14.3
271.13290	3.0
282.14825	0.6
283.13211	0.3
298.07877	0.2
299.15332	0.3
314.17493	100.0
314.59393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1748
Annotation	Roefractine
Peak:m/z	Relative Intensity
51.45678	0.4
51.71173	0.4
52.28986	0.4
62.12441	0.5
91.05490	0.9
99.58762	0.6
105.07018	0.7
107.04940	2.5
109.06512	0.7
114.57125	0.5
115.05459	1.1
121.06503	94.4
125.77799	0.5
135.08052	8.3
137.05983	10.6
143.04927	11.5
144.05724	1.0
145.06499	0.8
146.87042	0.5
147.08121	0.8
151.07561	1.9
155.25316	0.5
159.08046	10.0
160.05173	1.1
175.07533	25.4
178.08673	0.6
192.10143	3.5
195.07970	0.5
208.08826	1.9
211.11143	2.1
219.08287	0.4
221.09720	0.6
223.11148	7.8
236.08345	0.9
239.10678	2.6
251.10669	10.8
252.11378	0.5
253.12242	0.9
255.10443	0.5
268.10938	2.3
271.13306	1.8
283.13278	19.5
285.14890	0.7
298.10648	0.6
314.17471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1748
Annotation	Laurifine
Peak:m/z	Relative Intensity
51.68631	0.8
58.06606	28.6
102.27074	0.9
104.98216	1.1
107.04950	44.8
115.05398	0.9
121.06496	5.8
128.07108	1.8
134.09598	0.9
137.05977	5.4
143.04932	9.3
145.06470	5.2
145.45483	0.9
175.07448	7.4
177.09085	1.5
194.11891	1.0
209.09628	1.5
214.26801	1.0
237.09070	7.1
269.11700	19.3
271.13315	4.1
314.17465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06318	0.9
58.06607	26.0
79.06269	0.4
84.50549	0.4
85.98555	0.4
95.04920	0.7
103.29072	0.4
106.69342	0.4
107.04957	47.3
109.40299	0.5
115.05439	2.3
117.06998	0.5
121.06488	5.3
123.59361	0.4
137.05992	6.7
143.04927	10.2
145.06480	5.3
147.08057	0.8
151.07539	0.9
163.07492	0.9
175.07547	4.9
177.09100	1.7
192.10252	0.8
194.11810	1.0
209.09663	3.6
210.26973	0.5
211.11127	0.5
237.09038	5.2
239.10724	0.7
269.11722	15.7
271.13330	3.3
298.85944	0.4
314.17490	100.0
322.41760	0.5
328.62689	0.4
329.51376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13367	0.3
58.06322	0.8
58.06609	22.8
66.03850	0.3
71.63416	0.3
83.20045	0.3
95.04985	0.3
107.04960	39.8
115.05470	2.2
117.88951	0.3
119.04929	0.4
121.06500	4.6
131.04962	0.6
135.07980	0.3
137.05966	4.8
143.04919	9.3
145.06500	4.6
147.08067	1.2
151.07549	1.3
163.07567	0.7
175.07538	5.1
176.10695	0.7
177.09085	2.1
192.10205	1.9
193.11040	0.4
194.11754	0.5
209.09596	2.4
211.11223	1.3
219.08250	0.3
232.36090	0.3
237.09105	6.6
239.10648	1.6
269.11731	13.7
271.13251	2.2
314.17493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2685
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.70502	1.1
53.96215	0.9
54.35256	0.9
55.05510	2.5
55.63855	1.0
55.71380	1.0
56.05033	2.2
57.07082	1.2
60.04533	100.0
67.05507	11.9
69.07070	4.8
72.04510	7.2
77.42285	1.2
79.05498	4.7
80.05002	1.2
81.07078	12.3
82.30373	1.0
83.08615	5.3
91.05482	2.7
93.07041	6.6
95.08621	11.6
97.10173	1.8
105.07041	4.9
107.08586	5.5
109.10150	6.3
110.06033	1.1
119.08578	1.3
121.10146	4.1
123.11695	1.4
131.00568	1.4
131.08513	1.9
133.10176	1.2
135.11682	1.1
137.06010	2.3
138.06322	5.0
176.79001	1.3
278.18314	1.6
278.24759	6.4
288.61575	1.1
296.25803	10.8
314.26874	78.7
339.90857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2686
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05515	4.8
55.18092	2.1
56.05034	5.9
57.07090	16.5
67.05512	33.1
69.07071	16.9
70.87939	2.1
71.08634	11.2
79.05502	5.5
81.07063	55.6
83.08622	5.4
93.07020	11.6
95.08606	46.4
96.77776	2.5
97.10157	12.0
103.34898	2.5
105.06948	2.4
107.08612	4.9
109.10143	18.2
111.11718	3.4
112.07607	3.7
114.12785	14.6
119.08559	3.9
121.10176	4.5
123.11732	5.0
125.09666	2.7
135.11655	4.0
138.09238	2.7
140.10739	21.7
141.12747	3.9
142.15900	3.4
153.55931	2.6
154.12279	5.5
158.11728	28.4
172.13336	11.7
172.16945	25.3
261.22101	2.3
278.24847	18.6
279.23032	5.5
296.25812	100.0
314.26749	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34642	4.1
52.88161	5.5
55.05514	4.4
57.07071	23.5
60.04531	75.1
60.31296	4.4
63.27299	4.4
67.05506	77.4
69.07066	25.7
71.04988	7.0
71.08635	7.7
79.05485	26.7
81.07067	94.8
83.08611	30.4
85.06548	6.5
91.05474	10.8
93.07055	42.1
95.08588	100.0
96.40502	5.3
105.06990	5.9
107.08606	26.0
108.20461	5.1
109.10168	47.8
119.08578	8.1
121.06547	12.4
121.10134	43.0
123.11706	24.0
131.08600	10.1
133.10139	7.8
135.11736	39.5
137.09666	6.4
141.12698	6.2
142.13116	8.1
145.02840	27.1
147.11685	9.3
177.05443	39.7
177.16336	5.2
243.21045	10.1
261.22156	26.8
278.21994	7.7
278.24774	25.1
279.23105	42.0
296.22910	30.6
296.25870	43.0
308.09085	9.8
314.11005	6.5
314.14133	27.3
314.17499	6.8
314.26883	67.5
320.09354	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
50.88575	1.5
51.34458	1.5
52.27321	1.3
55.05505	8.8
56.05040	1.5
57.07077	6.6
58.06593	1.7
59.59878	1.2
60.04543	2.0
67.05495	9.0
69.07076	12.5
70.06590	2.0
71.08614	1.9
75.36102	1.4
81.07058	10.5
81.23391	1.7
83.08620	8.2
83.22137	1.4
84.08146	3.5
85.06554	2.5
86.09692	2.1
95.08606	17.0
97.06536	2.1
97.10162	6.6
98.09673	2.2
101.47598	1.7
109.10154	6.8
111.11720	2.0
112.11244	6.5
114.12816	34.9
119.55201	1.6
121.10159	2.3
123.11674	3.1
135.11703	2.0
142.15924	15.0
182.15404	15.3
200.16475	16.8
202.45763	1.8
210.18539	29.0
227.44186	1.7
228.19524	26.0
230.12973	1.7
240.26628	1.6
252.23199	12.0
255.23172	2.1
270.24185	16.2
296.25848	28.3
314.10056	2.2
314.26886	100.0
314.34186	9.0
339.90192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69745	2.7
55.22245	2.5
55.95951	2.6
59.48856	2.7
66.07458	3.5
68.30281	3.6
69.96167	3.0
76.30298	2.8
89.35091	3.0
127.03857	3.5
149.97168	4.0
217.04080	4.4
219.02019	5.1
226.99937	13.5
245.03633	4.9
249.97345	29.9
250.96989	3.3
255.96147	5.4
272.95261	4.4
273.97290	49.6
291.98331	100.0
292.06491	4.8
314.96646	3.5
315.00250	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	Pinobanksin 3-O-acetate
Peak:m/z	Relative Intensity
53.74012	0.6
58.06596	3.9
65.86761	0.7
79.05497	0.9
80.05009	1.6
81.07031	2.5
83.07361	1.2
100.07631	1.1
107.04947	1.7
108.05296	1.6
110.57631	0.7
125.05966	1.4
132.04504	0.8
159.23236	0.7
170.06021	1.6
180.37915	0.8
182.08247	0.8
188.07115	1.2
193.06567	1.1
194.07317	0.9
195.08182	0.8
196.05159	0.9
197.05995	3.3
198.05476	9.0
200.09412	7.3
208.11771	0.9
210.06721	1.3
212.04698	1.7
213.05519	1.3
216.06561	82.7
221.06036	3.2
222.06837	0.9
223.03871	1.6
225.07254	1.0
225.09171	1.0
227.07025	1.6
229.08858	0.9
238.06252	4.3
239.03366	0.9
240.04083	1.6
241.04955	4.2
243.08508	0.8
251.99954	0.8
253.08578	11.6
254.05679	1.2
255.06496	79.9
256.05609	4.4
269.08167	1.1
270.07825	1.5
270.10953	1.7
271.07922	30.7
271.14297	1.5
297.07758	7.4
300.06238	13.9
315.08472	100.0
315.13370	54.1
315.16833	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71527	0.8
58.06602	1.4
59.46495	0.6
59.72080	0.7
60.17461	0.7
61.06434	0.7
62.59452	0.7
66.96743	0.7
69.03418	1.4
73.02906	1.0
76.86176	0.8
81.03426	0.8
81.07064	1.0
85.02909	5.0
93.72453	0.7
97.02895	3.3
107.04987	0.9
110.62098	0.8
116.41775	0.8
120.08122	5.0
125.06043	1.0
127.03928	1.1
135.04375	0.9
138.09140	9.1
153.05426	4.3
156.10191	9.7
233.09306	1.0
233.16443	1.3
252.07339	6.7
255.11295	4.6
256.05536	5.2
256.12082	1.2
270.08270	5.6
271.07886	25.1
271.14221	6.2
279.09775	3.0
283.07916	10.3
297.10538	1.5
297.18085	3.3
309.59058	0.9
315.06888	38.8
315.10489	100.0
315.13806	13.0
315.19000	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1072
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
50.74760	1.0
53.03932	1.6
55.01877	2.1
57.03426	1.0
60.15233	1.0
64.40340	0.9
69.03431	12.8
79.05493	9.2
81.03425	6.3
81.06617	1.4
81.07061	26.7
83.04977	2.8
85.02908	5.4
85.06516	1.5
91.05483	1.8
93.07004	1.9
95.04967	7.1
97.02892	2.3
97.06543	1.9
98.81797	1.4
99.04472	2.3
107.04955	1.5
109.02869	7.5
109.06492	5.2
111.04412	1.6
113.06011	5.8
121.06499	1.7
123.04449	1.9
123.08055	1.6
125.02364	1.3
125.05985	24.4
127.03902	2.9
147.08012	1.5
153.05492	16.7
163.07559	1.7
171.06532	6.7
171.08006	1.7
175.07635	1.5
179.45755	1.2
185.74194	1.2
193.08615	2.6
198.09154	1.6
211.09616	5.2
221.72719	1.3
225.07439	1.4
256.05530	11.0
269.06467	1.8
270.07669	2.5
271.07901	55.9
283.07819	2.2
297.05878	2.7
297.09525	2.0
315.06931	100.0
315.10522	14.9
315.13232	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	Leridol
Peak:m/z	Relative Intensity
57.07079	3.0
67.05504	2.2
91.05478	100.0
95.53674	1.2
105.07012	1.2
117.07059	1.3
127.28660	1.2
133.34848	1.4
149.05997	6.1
167.48210	1.2
181.10062	1.8
191.06973	6.6
195.06509	24.0
195.08173	1.6
209.09651	4.9
213.12717	2.9
223.07556	2.2
238.09897	25.3
239.07039	9.0
241.12195	28.2
254.09346	36.8
269.11728	65.6
279.24945	1.5
280.23541	2.4
281.07617	1.5
282.08621	1.5
297.11234	25.3
297.26361	2.6
315.12262	65.2
315.15512	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1332
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
51.39864	0.6
53.27525	0.6
56.63798	0.7
57.07067	0.8
61.95608	0.8
67.05487	2.9
69.03412	6.5
70.06612	1.4
79.05487	3.4
80.05023	1.4
81.03417	1.6
81.07072	7.9
81.07468	0.9
83.07334	0.9
85.02917	1.5
85.06556	1.2
86.06039	1.1
88.93719	0.7
90.79373	0.7
93.07019	1.3
95.04969	1.3
96.80317	0.7
97.02868	1.0
99.04442	1.2
100.07603	3.3
109.02866	1.5
113.05980	1.6
116.37944	0.7
121.06503	1.3
125.05965	5.3
139.07455	1.1
153.05466	4.2
164.06914	1.0
165.07785	1.2
166.08607	1.5
170.06006	4.1
171.06589	1.2
182.08083	1.4
188.07097	1.3
198.05540	14.6
198.44759	0.9
200.09489	7.5
216.06555	100.0
227.11836	1.2
271.07907	1.4
271.14407	2.8
297.12158	1.0
315.13403	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1336
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
52.88432	0.5
53.26333	0.4
60.76176	0.5
67.05490	1.2
69.07053	0.7
69.14893	0.6
79.05486	1.1
80.58188	0.6
80.58689	0.6
81.07055	2.4
83.08620	0.9
85.06526	1.3
91.05472	1.1
93.07059	1.3
95.08586	2.5
97.06502	0.7
105.07011	1.1
107.08575	2.9
107.38524	0.5
109.10163	2.0
111.08092	1.0
119.08595	0.9
121.10126	1.0
131.08528	1.1
133.10112	1.3
142.15936	0.7
145.10117	4.2
147.11693	1.1
156.70386	0.6
157.10164	0.8
159.11722	2.8
160.03915	0.6
164.07103	3.1
171.11607	1.3
173.13290	1.3
178.04982	40.7
185.13284	1.0
211.08679	1.2
213.10176	0.8
213.16316	0.9
226.10976	9.6
236.09421	0.7
240.63097	0.6
241.09703	10.9
241.13351	2.6
242.11617	1.0
243.07742	0.6
251.11935	0.7
254.10452	13.4
269.09225	17.3
269.12820	27.6
272.11520	1.3
279.21027	0.9
280.23514	0.7
282.09933	1.0
283.24316	0.7
287.13766	9.3
297.12323	16.4
297.18951	0.9
297.22083	8.4
300.11047	25.6
315.13361	100.0
315.23160	10.8
315.26761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1339
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
50.10273	0.8
58.06596	1.0
67.42787	0.9
70.06586	1.3
71.69775	0.9
83.81793	0.8
84.08148	1.8
85.02906	4.0
97.02902	0.9
107.04956	1.7
109.02543	0.9
117.17452	0.8
127.03948	1.1
130.28961	1.0
145.04839	1.6
156.10202	2.2
159.12001	0.9
198.40683	1.1
227.11809	11.5
242.11702	2.0
255.11240	59.4
256.12048	24.8
271.14398	100.0
315.10342	3.1
315.13434	72.2
315.19272	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1336
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
54.45565	0.5
55.05502	0.7
67.05495	3.7
69.03445	1.0
70.06303	0.6
70.06601	10.2
71.62461	0.6
80.05009	1.4
81.07052	1.7
83.04937	0.9
83.07376	1.3
83.08633	0.7
88.82355	0.6
91.05457	1.2
93.07021	1.4
94.06573	1.5
97.10081	0.9
107.08578	3.1
109.10104	0.8
119.12114	0.9
120.04447	3.6
122.09651	3.4
134.09641	2.9
136.11238	5.4
140.10704	1.2
144.08034	0.7
145.10065	1.5
146.02321	7.0
147.08014	0.9
147.11668	0.8
148.03935	1.7
149.08392	1.6
150.09151	3.1
157.10136	1.4
159.11693	1.4
162.09161	7.0
166.08612	7.9
167.09445	0.9
168.10216	5.7
170.05980	0.9
178.08600	2.8
180.10153	5.1
182.08224	0.8
188.07054	2.8
193.73056	0.8
195.08174	0.9
198.05475	3.8
200.09489	1.8
216.04558	1.4
216.06558	32.5
227.11879	1.1
255.10168	1.1
269.12714	5.1
271.14380	4.1
283.09708	1.2
297.12350	4.0
297.22046	4.4
315.13354	100.0
315.19507	3.5
315.23172	3.8
317.85983	0.8
327.44998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1587
Annotation	O-Methyloctandrenolone
Peak:m/z	Relative Intensity
57.94857	2.5
66.29740	2.3
69.07067	66.9
71.08646	2.6
81.07044	4.8
88.95897	3.1
95.08605	3.1
137.96223	3.6
157.10124	6.6
185.09624	51.2
200.08302	4.1
201.09091	6.0
207.98032	3.1
213.09084	84.3
215.10631	4.5
229.08574	15.9
231.10188	18.4
240.11375	4.8
241.08626	36.4
247.09555	3.7
259.09573	34.4
269.15332	64.0
269.26608	15.6
274.04694	2.9
297.14847	12.3
315.05164	3.3
315.15894	100.0
315.27264	29.1
315.34482	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	Chalepin
Peak:m/z	Relative Intensity
52.73792	1.3
55.05510	1.7
57.07052	1.3
57.33255	1.3
58.24894	1.4
61.17287	1.5
64.19897	1.6
65.46661	1.5
68.59743	1.3
69.06696	2.6
69.07068	53.4
73.30107	1.6
75.05043	1.7
75.68405	1.3
82.78909	1.4
92.03802	1.5
108.75535	1.7
131.08563	2.9
142.50891	1.4
157.10107	7.5
159.11748	1.9
169.10164	2.0
176.07524	1.8
185.09605	46.4
187.07585	6.5
187.11137	4.0
200.08305	8.7
201.09163	8.5
209.09636	2.6
213.09097	70.3
215.10670	3.1
227.10652	2.0
228.07701	2.2
229.08611	13.2
231.10132	22.1
240.11542	2.9
241.08559	37.3
251.14415	1.9
255.13806	2.4
259.09625	30.5
269.15399	53.3
297.14841	13.9
315.05460	1.9
315.15900	100.0
315.19312	5.5
315.27563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Chalepin
Peak:m/z	Relative Intensity
54.33161	2.5
55.36946	1.7
57.27162	1.8
57.30610	1.9
58.64387	2.1
59.44501	2.0
69.07087	5.1
79.45376	2.3
81.07082	2.4
106.75428	2.2
121.06464	2.6
157.10056	2.2
159.11755	2.6
169.10077	5.2
171.08095	5.0
173.09612	8.9
173.89235	2.3
185.09647	8.6
187.07632	3.0
187.11214	3.9
197.09628	3.4
199.07541	14.1
200.08278	3.3
201.09114	4.9
213.09113	31.4
215.10735	24.7
227.10612	3.5
227.14378	2.9
227.45924	2.3
240.11475	2.6
241.08531	9.5
241.12367	2.8
253.15834	3.2
255.13803	13.2
269.15286	16.4
290.35919	2.4
297.14902	3.5
315.15939	100.0
315.19171	3.4
315.28461	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1927
Annotation	E-64c
Peak:m/z	Relative Intensity
56.64701	0.8
82.39040	1.0
99.99346	0.9
121.10130	1.2
139.21477	1.0
156.84354	1.0
193.24623	1.2
244.04335	1.1
253.78825	1.0
315.19305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
50.04317	2.0
67.05511	4.5
69.07088	2.2
72.61893	2.4
75.50784	2.0
75.58002	2.2
79.05460	4.2
79.77342	2.0
81.07064	9.2
84.08194	2.0
85.06533	14.0
91.05462	5.2
93.07047	13.4
95.08604	15.1
97.06573	2.9
105.07021	12.8
107.08575	13.4
109.06506	8.5
109.10139	10.1
119.08553	13.2
121.10149	5.4
123.08040	2.5
123.11698	2.7
131.08530	9.5
132.07983	2.1
133.10141	12.0
135.11655	4.7
143.08562	3.5
145.10115	36.0
147.11702	14.6
157.10115	10.3
159.11665	25.2
161.13228	2.7
163.11191	2.9
169.10054	3.9
171.11691	13.9
173.13246	13.1
183.11685	5.0
185.13286	9.5
191.70566	2.1
195.11578	5.1
197.13264	11.0
199.14839	8.6
203.14278	4.3
209.13179	4.1
211.14859	5.0
213.16357	13.6
215.14294	4.3
223.14876	8.8
225.16389	3.4
227.17998	5.0
237.16290	5.1
239.17969	4.9
240.06651	2.7
241.06894	13.4
250.17114	3.6
251.17946	3.1
253.19429	14.9
255.17456	4.1
255.21146	4.6
257.18985	4.8
279.20886	16.8
297.18738	4.0
297.22122	100.0
315.19666	5.0
315.23154	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05511	1.5
57.44259	1.5
57.81701	1.6
66.88496	1.5
67.05502	4.2
67.38876	1.5
68.15206	1.6
69.07079	3.9
69.31965	1.5
71.04980	3.0
78.35738	1.5
79.05486	4.0
81.07053	9.4
85.06544	12.3
91.05495	2.5
91.19389	1.6
93.07037	13.2
95.08591	13.4
105.07039	12.5
107.07972	1.8
107.08613	17.2
109.06493	3.9
109.10148	7.8
111.08040	2.0
117.07014	2.9
119.08568	10.2
121.10114	11.5
123.11690	1.8
128.14357	9.1
129.14680	7.7
131.08551	8.9
133.10117	11.7
135.11682	2.3
143.08534	3.6
145.10112	32.4
147.11693	10.2
157.10118	10.3
159.11662	23.1
161.13290	2.3
163.11081	4.0
169.10054	2.9
171.11647	9.6
173.13278	8.3
183.11696	3.5
185.13261	8.6
189.12837	2.4
195.11664	2.4
197.13261	9.8
199.14847	3.3
203.14360	3.6
209.13196	4.0
211.14716	2.8
213.16354	13.9
215.14211	2.5
223.14790	9.2
227.17879	12.3
234.17903	1.7
239.17940	7.8
251.17787	2.1
253.19443	12.3
269.18936	2.5
279.21054	17.6
297.22116	100.0
313.26141	1.9
315.19827	5.8
315.23166	95.0
315.26804	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Dehydroabietic acid methyl ester
Peak:m/z	Relative Intensity
54.19976	1.0
55.05512	1.8
55.78632	1.0
55.78908	1.1
59.57903	1.1
60.46054	1.0
67.05502	2.5
69.07053	2.9
76.44847	1.3
79.05489	1.7
81.07066	4.9
83.08649	1.5
87.49749	1.3
91.05454	2.5
93.07039	7.4
95.08619	10.9
95.23463	1.3
105.07019	8.4
107.08612	13.2
109.03548	1.3
109.10165	9.5
117.06996	1.6
119.08604	6.0
121.10133	27.4
123.11688	2.2
131.08563	5.3
133.10143	15.7
135.11716	2.9
143.08574	6.2
145.10146	11.1
147.11685	26.7
147.12750	2.3
149.13249	1.9
157.10117	3.0
159.11699	14.2
161.13277	6.8
171.11705	5.9
173.13255	7.7
174.69411	1.3
176.27759	1.6
181.12222	2.7
185.13222	9.3
199.14821	17.7
200.10652	1.3
213.16383	6.6
227.17961	3.0
255.21053	100.0
283.20657	13.2
297.22150	1.9
315.19766	2.6
315.23163	51.0
316.61078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.36565	1.0
56.01354	1.0
59.29277	1.0
67.05498	5.4
70.41443	1.0
71.04990	4.7
79.05475	5.4
79.84782	1.0
81.07063	9.1
83.04915	1.3
85.06539	11.2
86.33044	1.1
89.12160	1.2
91.05460	2.5
92.20966	2.0
93.07035	12.3
93.07535	1.1
95.04926	1.6
95.08607	11.3
97.06512	1.3
99.08079	1.6
102.35809	1.1
105.07056	12.5
107.08587	16.8
109.06522	1.8
109.10160	9.0
112.75762	1.2
117.07011	1.9
119.08575	6.8
121.10113	9.4
123.11721	2.2
125.09700	1.3
127.29854	1.2
131.08545	9.4
133.10136	12.4
135.11723	2.9
143.08586	6.9
145.10133	21.2
147.11693	17.4
151.30667	1.3
155.08534	2.4
157.10083	9.3
159.11694	22.8
161.13275	6.3
163.11172	1.9
169.10214	2.1
171.11700	7.4
173.13269	10.5
177.12811	1.8
183.11661	5.3
185.13185	5.8
187.11247	5.0
189.12724	5.0
189.47011	1.2
195.11690	2.7
197.13217	9.4
199.14833	6.8
201.12801	1.6
203.14270	2.8
209.13312	2.1
211.14780	5.1
213.16353	11.7
215.14424	1.7
216.06584	1.3
223.14844	9.0
225.16434	1.8
227.17822	8.6
237.16302	2.3
239.17979	7.0
241.15750	1.9
251.91954	1.2
253.19487	10.6
255.17372	1.5
255.21048	5.6
257.19028	2.2
271.20554	1.6
279.21088	12.8
297.22119	69.3
315.12958	6.5
315.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
52.35397	2.4
62.09551	2.3
67.05534	4.0
69.07064	2.5
72.85144	2.2
78.21270	2.4
79.05470	3.3
81.07052	10.5
85.06545	12.7
93.07047	13.3
95.08601	12.9
105.07043	5.0
107.08611	14.7
109.06531	3.1
109.10157	5.3
116.07989	2.8
119.08555	6.7
121.10166	10.0
131.08554	6.4
133.10135	12.2
135.11688	4.4
143.08644	3.4
145.10104	32.2
147.11684	11.9
157.10143	6.8
159.11684	22.6
167.05991	2.9
169.10114	3.4
171.11656	6.5
173.13242	4.6
183.11696	3.4
185.13274	10.5
189.12785	3.7
195.11662	3.0
197.13295	5.7
199.14758	4.8
203.14384	3.1
209.13275	3.3
211.14708	3.8
213.16333	20.9
223.14766	10.5
224.45419	2.8
227.17972	16.6
237.16464	4.4
239.17914	6.0
253.19452	5.8
279.21109	28.2
297.22128	94.4
313.87149	2.8
315.14090	3.6
315.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2318
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05522	1.8
59.78955	1.3
67.05501	3.1
69.07047	2.5
69.75993	1.6
71.04996	3.1
74.17276	1.7
79.05480	1.9
81.07065	15.9
83.08627	1.9
85.06535	9.3
86.09707	1.9
91.05488	7.3
91.44198	1.6
92.09295	1.8
93.07030	15.8
95.04964	2.7
95.08608	12.2
97.06493	2.7
105.07046	8.8
107.08606	19.7
109.06490	8.4
109.10146	9.6
117.07036	3.4
119.08553	13.1
121.10133	4.2
123.11703	3.1
131.08534	7.4
133.10146	16.0
135.08073	2.2
135.11662	2.3
138.74200	1.6
143.08632	6.2
145.10143	34.4
147.11658	11.0
151.11159	2.0
155.08528	2.2
157.10098	13.1
159.11679	23.3
161.13222	6.8
163.11214	3.4
169.10170	2.2
171.11703	12.2
172.07545	7.6
173.13237	10.4
177.12683	1.9
181.10020	2.2
183.11653	4.1
184.07568	4.1
185.13205	7.2
187.11221	1.9
189.12718	3.2
191.14326	3.7
195.11589	6.5
197.13290	10.7
199.14847	6.9
202.08719	2.2
203.14362	3.8
209.13266	3.9
211.14789	6.9
213.16360	17.5
223.14839	10.2
225.16261	2.6
227.17929	8.4
229.15524	2.0
230.08160	4.0
237.16428	6.2
239.17967	7.0
251.18132	1.9
253.19603	15.4
255.17322	2.3
255.21201	3.1
269.18234	1.9
279.21109	21.5
282.05713	1.8
297.18985	3.4
297.22107	100.0
315.08578	2.8
315.17026	2.5
315.19839	5.6
315.23175	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
50.54983	0.4
55.05522	0.8
57.16561	0.6
67.05499	3.6
69.07066	1.1
71.04977	5.6
79.05491	3.4
81.07058	6.9
83.08604	0.6
85.06543	11.7
90.35489	0.5
91.05473	3.9
91.73141	0.5
93.07037	11.7
95.08607	11.2
99.08105	0.9
105.07039	8.9
107.08596	12.2
107.09255	0.8
108.80075	0.5
109.06515	4.7
109.10180	7.5
111.07997	0.6
111.99510	0.6
115.54696	0.5
117.07010	3.7
119.08562	7.1
121.10133	10.1
123.08072	1.4
123.11712	2.2
129.06992	0.8
131.08569	10.2
133.10118	9.5
135.11685	4.1
137.09619	2.8
141.06990	1.0
143.08527	5.9
145.10127	23.8
147.11682	11.3
149.09596	1.0
149.13252	2.2
155.08543	2.4
157.10107	13.7
159.11671	19.2
161.09589	0.8
161.13242	5.7
163.11163	2.6
165.12779	0.9
169.10107	3.7
171.11676	10.4
173.13229	10.8
175.11159	1.1
175.14885	0.7
177.12726	2.0
181.10117	2.2
182.11026	0.6
183.11639	6.6
185.13313	6.6
187.11215	3.3
187.14841	2.0
189.12723	2.4
191.14287	1.2
195.11662	4.7
197.13242	9.7
199.14865	8.2
201.12721	2.7
203.14322	5.2
208.12459	0.7
209.13277	4.4
211.14766	4.2
213.16373	25.6
215.14372	2.6
217.15877	0.8
223.14774	9.1
224.15591	0.7
225.16336	3.0
227.17932	10.2
235.14836	0.9
237.16484	4.3
239.17886	7.2
241.15834	2.4
250.17101	2.3
251.17877	2.5
253.19472	14.5
255.17397	5.1
255.21048	3.9
257.19064	0.9
264.18726	0.7
269.19073	1.2
271.20856	0.7
279.18250	1.1
279.21082	22.2
297.22113	96.9
300.06329	2.9
310.30746	0.6
315.08734	6.6
315.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Cardol triene
Peak:m/z	Relative Intensity
57.07093	7.6
60.25350	5.4
69.07085	71.1
75.00919	5.6
76.41347	6.5
83.08608	22.3
85.93867	5.3
93.07051	13.7
95.08616	6.9
105.07048	7.0
106.53365	6.2
107.08588	14.5
108.74823	6.0
121.10092	8.2
149.13245	13.0
204.79234	7.7
234.29581	7.5
315.23154	100.0
315.28632	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.232
Annotation	Longithorone J
Peak:m/z	Relative Intensity
54.10760	1.9
55.01854	2.1
67.05515	4.4
71.04990	5.6
79.05515	2.7
81.07042	12.8
83.08633	2.9
83.76269	2.3
85.06539	15.6
90.96370	2.5
91.05491	2.6
93.07064	18.5
95.08589	12.2
97.06500	2.3
105.07030	11.8
107.04987	3.0
107.08609	20.4
109.06528	9.8
109.10157	11.5
117.07028	4.7
119.08562	10.8
121.10136	15.7
131.08577	12.4
133.10118	13.1
135.04401	3.0
143.08540	4.9
145.10133	35.8
147.11690	14.8
155.08510	3.5
156.10239	2.3
157.10103	16.3
159.11694	30.0
163.11230	3.0
169.10205	3.4
171.11688	10.8
173.13261	12.4
183.11691	5.3
185.13303	4.0
189.12668	3.0
197.13351	11.1
199.14838	5.9
201.12753	3.3
203.14291	9.0
209.13177	3.5
211.14784	4.1
213.16434	21.2
223.14844	5.5
227.17964	17.2
237.16335	4.2
239.17958	9.7
241.15924	3.3
253.19499	11.8
255.10123	2.8
255.17529	2.9
255.21002	3.7
279.21164	24.5
283.09555	3.5
293.10468	3.5
297.22134	100.0
299.60269	2.7
307.10275	9.6
315.12332	13.7
315.17917	16.3
315.23187	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25991	0.3
55.03838	0.3
58.06600	0.6
60.04525	0.7
62.52465	0.3
70.06594	6.6
71.02372	0.3
85.02917	0.4
86.09700	9.0
92.13354	0.3
100.89360	0.4
102.11373	0.3
105.51186	0.3
107.04939	2.0
116.07106	3.7
136.06186	0.4
137.05963	0.5
154.08672	0.9
159.04323	0.5
173.12868	2.6
199.18007	0.8
203.11380	1.4
226.08673	1.4
227.17456	0.5
228.06575	0.8
229.07291	3.1
239.05905	0.6
254.08081	5.4
257.06805	29.6
257.59869	0.4
270.07581	32.8
272.09174	13.8
298.07089	45.8
300.08609	4.8
301.05765	6.8
301.09406	2.5
316.08130	100.0
316.11746	23.9
316.14908	6.0
316.18832	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72697	0.3
51.70277	0.4
57.74979	0.4
58.06602	0.6
63.68287	0.4
66.42975	0.4
104.82526	0.3
105.54251	0.4
113.77482	0.4
118.20576	0.4
129.09203	0.4
137.05989	0.5
166.04976	0.5
207.08093	0.5
223.07513	0.7
226.08553	1.4
228.06583	2.0
229.07309	6.1
256.05872	0.5
257.06815	56.7
272.09164	23.6
283.04691	0.6
298.07086	2.0
301.05823	14.4
316.08139	100.0
316.15228	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0813
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
56.86222	0.5
73.55978	0.5
86.06093	0.5
95.00185	0.6
107.04954	0.5
119.26563	0.5
136.06340	0.5
142.08505	0.5
168.60861	0.5
173.22708	0.5
181.72256	0.6
205.27495	0.5
223.07184	0.5
226.08694	1.1
228.06616	1.3
228.10190	0.7
229.07399	4.5
230.66190	0.6
254.08226	1.0
254.12163	0.6
256.09741	0.6
257.06812	50.0
270.07599	0.7
272.09180	20.7
288.12408	2.7
298.07132	8.6
301.05792	11.1
316.08179	100.0
316.11716	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86222	0.5
73.55978	0.5
86.06093	0.5
95.00185	0.6
107.04954	0.5
119.26563	0.5
136.06340	0.5
142.08505	0.5
168.60861	0.5
173.22708	0.5
181.72256	0.6
205.27495	0.5
223.07184	0.5
226.08694	1.1
228.06616	1.3
228.10190	0.7
229.07399	4.5
230.66190	0.6
254.08226	1.0
254.12163	0.6
256.09741	0.6
257.06812	50.0
270.07599	0.7
272.09180	20.7
288.12408	2.7
298.07132	8.6
301.05792	11.1
316.08179	100.0
316.11716	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0814
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
50.72697	0.3
51.70277	0.4
57.74979	0.4
58.06602	0.6
63.68287	0.4
66.42975	0.4
104.82526	0.3
105.54251	0.4
113.77482	0.4
118.20576	0.4
129.09203	0.4
137.05989	0.5
166.04976	0.5
207.08093	0.5
223.07513	0.7
226.08553	1.4
228.06583	2.0
229.07309	6.1
256.05872	0.5
257.06815	56.7
272.09164	23.6
283.04691	0.6
298.07086	2.0
301.05823	14.4
316.08139	100.0
316.15228	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06321	0.6
58.06606	16.8
60.04535	0.4
62.26279	0.5
70.06593	9.1
71.04974	0.5
72.44346	0.5
85.02866	0.6
86.09701	6.2
87.04498	0.5
98.06072	0.6
106.84924	0.5
108.08137	0.8
109.21191	0.4
111.05009	0.5
112.08691	0.8
112.89604	0.4
116.07077	2.5
121.06493	1.0
136.80029	0.5
144.06616	0.7
154.08621	6.5
157.09709	0.6
173.12885	0.9
185.09230	0.5
203.11429	4.6
226.08632	0.7
239.05827	1.0
246.82309	0.6
254.08125	8.9
255.05185	0.6
255.08829	0.7
256.15369	0.8
257.06802	1.8
270.07596	55.5
272.09119	5.0
275.00690	1.2
282.07538	0.6
283.08313	3.8
298.07101	79.3
298.10352	2.8
300.08646	16.7
301.09384	12.8
316.08112	74.5
316.11792	100.0
316.14389	4.1
316.19586	5.4
339.36411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66175	0.6
51.66481	0.7
57.03434	0.7
61.02925	1.8
62.23359	0.7
62.53693	0.8
69.03431	1.2
70.06584	1.2
72.78658	0.7
73.02906	1.0
81.03413	1.3
85.02871	3.0
88.29264	0.7
97.02891	1.7
99.04424	1.2
103.03928	1.7
106.06548	1.4
110.06034	1.4
116.07111	0.9
127.03923	1.4
132.04417	1.2
134.05986	1.8
136.03915	4.0
148.03986	1.1
150.05499	4.4
154.04955	5.0
160.03979	6.1
162.05533	3.9
163.30833	0.9
164.03418	3.3
164.07158	0.8
166.04996	56.1
166.06410	1.8
174.05527	5.6
176.03265	0.8
178.04985	27.6
190.04996	8.1
192.06445	1.1
194.04459	1.0
198.05373	1.0
202.05032	6.2
208.06032	4.3
214.04938	1.7
216.06561	3.4
220.06044	1.8
226.08669	3.3
228.06651	1.1
229.07283	5.5
232.03883	0.7
232.06068	6.9
244.06023	3.3
257.04047	1.7
257.06778	53.5
257.09338	1.9
262.07077	3.7
272.09106	21.8
280.08157	7.4
288.40756	1.0
298.09268	54.1
301.05811	11.6
316.08127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47511	0.3
64.02556	0.3
67.05265	0.3
90.58849	0.3
99.71454	0.3
133.35417	0.3
191.57483	0.3
229.07220	0.7
254.08224	0.4
255.08751	1.7
256.09732	0.5
257.06830	8.4
270.11142	0.8
271.08365	0.7
272.09134	7.8
282.07498	2.5
283.08252	1.6
286.07132	0.4
286.10699	1.5
288.12238	0.6
291.53384	0.3
298.10693	5.6
298.13876	0.5
300.08627	18.2
301.05771	2.1
301.09357	10.0
304.35342	0.3
316.08130	14.7
316.11734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47511	0.3
64.02556	0.3
67.05265	0.3
90.58849	0.3
99.71454	0.3
133.35417	0.3
191.57483	0.3
229.07220	0.7
254.08224	0.4
255.08751	1.7
256.09732	0.5
257.06830	8.4
270.11142	0.8
271.08365	0.7
272.09134	7.8
282.07498	2.5
283.08252	1.6
286.07132	0.4
286.10699	1.5
288.12238	0.6
291.53384	0.3
298.10693	5.6
298.13876	0.5
300.08627	18.2
301.05771	2.1
301.09357	10.0
304.35342	0.3
316.08130	14.7
316.11734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1178
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
57.47511	0.3
64.02556	0.3
67.05265	0.3
90.58849	0.3
99.71454	0.3
133.35417	0.3
191.57483	0.3
229.07220	0.7
254.08224	0.4
255.08751	1.7
256.09732	0.5
257.06830	8.4
270.11142	0.8
271.08365	0.7
272.09134	7.8
282.07498	2.5
283.08252	1.6
286.07132	0.4
286.10699	1.5
288.12238	0.6
291.53384	0.3
298.10693	5.6
298.13876	0.5
300.08627	18.2
301.05771	2.1
301.09357	10.0
304.35342	0.3
316.08130	14.7
316.11734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75747	0.3
60.04517	0.7
66.57273	0.4
70.06573	2.8
72.27640	0.4
86.09708	2.3
87.05536	0.6
96.23131	0.5
111.51498	0.4
116.07094	6.9
167.41194	0.5
173.12836	3.5
209.92363	0.5
238.85101	0.5
254.08014	2.1
255.08772	1.9
270.07599	9.7
270.10638	0.7
271.08459	0.5
272.09229	4.0
283.08401	10.5
298.07159	13.3
298.10629	2.5
300.08655	15.4
301.05893	0.6
301.09433	18.8
316.08167	11.7
316.11734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21659	0.3
50.66435	0.2
52.72488	0.3
58.28062	0.2
60.04522	0.3
70.06573	1.2
70.49609	0.3
78.51010	0.3
78.61019	0.3
86.09696	1.4
87.04466	0.3
90.72552	0.3
95.09478	0.2
100.84798	0.3
115.03849	0.3
116.07066	1.6
116.90169	0.3
129.00206	0.3
133.59599	0.3
145.03459	0.4
154.08508	0.3
154.59294	0.3
168.86563	0.3
173.12842	0.5
248.76346	0.3
254.08139	1.9
255.08850	1.4
256.09521	0.3
270.07584	13.0
270.10925	0.5
271.08359	0.5
272.09143	3.5
282.07486	0.4
283.08282	0.5
284.09082	0.4
286.07126	0.4
298.07037	18.2
298.10614	4.0
300.08658	23.0
301.06342	0.5
301.09445	10.9
316.08109	15.4
316.11725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1179
Annotation	4-Hydroxy-3-methoxydihydrocinnamic acid
Peak:m/z	Relative Intensity
54.72453	0.3
55.91434	0.4
58.06606	4.5
60.07830	0.4
67.91748	0.4
70.02943	0.4
70.06589	2.2
84.08144	0.8
86.09714	0.7
88.04003	1.8
88.59599	0.4
91.05457	0.6
92.21485	0.5
107.04961	27.8
115.05414	0.8
119.04954	1.8
120.01139	0.5
121.02901	0.7
121.06512	8.4
122.06020	3.1
123.04415	3.6
125.05989	0.9
129.10178	0.4
131.04910	0.9
133.06538	0.5
135.04472	0.8
135.06783	2.3
136.07597	2.5
137.05968	3.5
139.03879	0.8
143.04933	5.3
145.06485	1.5
146.06003	2.6
149.00581	3.8
149.05954	0.5
152.07086	0.9
153.05461	4.2
159.04413	3.4
160.05173	2.7
161.05978	6.1
162.05475	7.3
163.06290	7.5
164.07063	13.8
165.07384	3.0
165.78928	0.5
166.07587	2.0
169.03235	4.5
176.07091	2.3
177.05452	1.0
177.73756	0.4
179.01611	0.4
179.07111	0.4
179.08589	0.9
181.03174	4.8
183.08002	1.8
187.03897	0.5
189.07043	0.5
191.09418	2.2
192.10214	0.5
195.01079	0.4
195.06474	3.2
197.09637	0.8
200.33733	0.4
207.08066	12.4
208.06076	3.6
209.02690	2.1
217.06546	0.5
225.09090	2.2
227.03812	0.7
235.07544	23.3
239.07048	1.6
241.08679	1.7
253.08591	51.4
255.10178	1.6
263.07010	3.9
266.08136	2.7
270.11243	47.9
272.12976	0.7
281.08044	1.7
284.06314	0.5
284.09201	3.4
286.07373	0.9
298.10715	2.9
299.09122	2.0
301.09308	0.7
316.08575	5.3
316.11801	100.0
316.15228	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1179
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
58.06592	3.8
69.18429	1.0
74.07545	0.9
75.86317	0.9
85.02917	1.0
107.04950	24.6
121.06517	9.7
123.04417	4.6
135.04401	1.0
135.06750	1.7
136.03922	4.5
137.06030	1.8
143.04930	5.8
145.06458	1.6
152.94737	0.9
154.05031	1.2
159.04422	3.5
160.05229	4.0
161.05971	5.8
162.05460	6.5
163.06239	8.8
164.07033	8.9
165.05482	1.1
176.07043	2.3
183.08063	2.1
207.08029	12.1
208.06148	3.8
225.09145	1.1
235.07530	23.8
241.08574	3.6
253.08569	57.1
254.08073	11.7
263.07132	4.3
266.41241	1.1
270.08209	1.8
270.11227	25.6
284.09198	1.9
295.54651	1.0
298.07074	56.9
299.09094	3.3
316.08115	36.0
316.11789	100.0
316.15320	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.118
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
50.21659	0.3
50.66435	0.2
52.72488	0.3
58.28062	0.2
60.04522	0.3
70.06573	1.2
70.49609	0.3
78.51010	0.3
78.61019	0.3
86.09696	1.4
87.04466	0.3
90.72552	0.3
95.09478	0.2
100.84798	0.3
115.03849	0.3
116.07066	1.6
116.90169	0.3
129.00206	0.3
133.59599	0.3
145.03459	0.4
154.08508	0.3
154.59294	0.3
168.86563	0.3
173.12842	0.5
248.76346	0.3
254.08139	1.9
255.08850	1.4
256.09521	0.3
270.07584	13.0
270.10925	0.5
271.08359	0.5
272.09143	3.5
282.07486	0.4
283.08282	0.5
284.09082	0.4
286.07126	0.4
298.07037	18.2
298.10614	4.0
300.08658	23.0
301.06342	0.5
301.09445	10.9
316.08109	15.4
316.11725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21659	0.3
50.66435	0.2
52.72488	0.3
58.28062	0.2
60.04522	0.3
70.06573	1.2
70.49609	0.3
78.51010	0.3
78.61019	0.3
86.09696	1.4
87.04466	0.3
90.72552	0.3
95.09478	0.2
100.84798	0.3
115.03849	0.3
116.07066	1.6
116.90169	0.3
129.00206	0.3
133.59599	0.3
145.03459	0.4
154.08508	0.3
154.59294	0.3
168.86563	0.3
173.12842	0.5
248.76346	0.3
254.08139	1.9
255.08850	1.4
256.09521	0.3
270.07584	13.0
270.10925	0.5
271.08359	0.5
272.09143	3.5
282.07486	0.4
283.08282	0.5
284.09082	0.4
286.07126	0.4
298.07037	18.2
298.10614	4.0
300.08658	23.0
301.06342	0.5
301.09445	10.9
316.08109	15.4
316.11725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1179
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
55.14248	1.0
57.45903	1.1
58.06606	24.6
70.06579	2.5
72.08141	1.1
82.36265	0.9
82.94981	0.9
83.65576	0.9
93.20969	0.9
103.03964	1.3
107.04955	35.2
116.07061	2.2
119.04928	2.2
120.08927	1.0
121.06513	11.6
122.06042	2.1
123.04427	2.6
128.93297	1.0
135.04439	1.5
135.06784	5.3
136.07578	2.4
137.05981	13.3
139.03940	1.3
143.04944	7.6
145.06474	1.2
146.06079	1.5
147.04440	1.7
149.05981	1.8
150.05544	1.4
151.07541	1.3
152.07040	1.3
154.04956	2.1
154.08624	4.9
159.04439	2.4
160.05208	4.2
161.05969	7.8
162.05493	8.4
163.03987	1.5
163.06313	8.5
164.07076	12.7
164.10664	1.5
166.04988	12.9
169.03235	1.7
174.05641	1.0
176.07045	2.4
177.05466	4.4
178.05003	6.3
178.08679	1.3
181.03294	1.6
183.08026	1.4
190.05075	1.3
191.09485	4.9
207.08005	15.5
208.06017	5.1
217.06512	1.5
225.09064	1.8
235.07530	30.6
241.08589	2.5
253.08580	67.0
257.08710	1.4
263.07062	2.6
270.11234	23.2
271.09598	2.4
272.13019	1.8
281.08005	1.3
296.09042	1.6
298.11057	7.4
299.09207	2.3
316.08514	5.4
316.11777	100.0
316.15421	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90753	0.5
57.03413	0.7
61.02929	1.5
69.03415	1.2
73.02905	1.7
80.03838	0.7
85.02910	9.9
91.05478	1.0
95.04944	0.9
97.02898	3.5
98.92564	0.9
101.00869	1.6
102.62761	0.6
103.03951	5.2
105.07037	0.7
115.82429	0.8
119.01923	11.2
121.02859	0.8
126.84358	0.7
127.03911	0.9
133.06482	0.8
137.02972	1.1
137.05980	25.0
143.01865	0.8
143.04884	1.3
145.03476	3.7
149.05981	12.9
151.07536	13.1
154.08655	2.6
157.03445	0.9
157.06429	1.1
161.02942	1.6
161.05960	11.3
163.07587	1.0
164.07091	7.6
165.05460	0.7
166.08623	0.9
169.03468	22.8
171.05016	4.0
175.07521	4.1
177.05391	1.2
178.08635	20.2
179.07030	17.9
181.06480	0.8
184.06401	1.4
185.02962	9.9
185.06065	1.0
187.04527	28.6
191.07030	1.7
195.05049	1.7
196.09669	4.5
197.02878	6.2
199.07578	1.1
203.04007	1.6
203.07005	4.7
205.05580	4.0
208.09782	0.7
211.04539	1.5
213.02461	1.7
213.06059	1.4
215.03995	10.0
216.10176	0.9
218.08142	1.5
220.09744	5.4
221.02942	1.4
227.06955	0.9
229.05518	13.2
234.11383	2.5
239.03954	0.9
245.08115	0.8
247.06696	8.3
257.04572	1.2
257.07053	7.6
257.48215	0.7
262.10864	1.0
263.09155	1.0
272.09174	3.6
275.06110	65.8
280.11688	3.7
284.16220	0.8
293.07169	12.2
295.66302	0.7
298.12790	3.6
316.08539	11.7
316.13895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68093	0.7
57.05383	0.7
61.02922	1.3
61.26749	0.9
63.20884	1.0
69.03438	1.4
81.40414	0.9
85.02901	11.0
90.59553	0.8
91.05469	4.5
97.02867	3.5
108.12460	1.0
110.06021	0.9
114.16518	0.8
119.04961	4.3
120.80110	0.9
127.03932	1.0
136.07596	5.7
137.05978	100.0
149.05934	1.5
151.07545	4.0
153.05461	1.2
154.05000	6.7
154.08620	21.6
161.06006	1.5
162.32140	0.9
164.07062	4.9
178.08621	7.2
179.07004	4.1
185.37711	1.0
289.14774	1.0
316.08243	1.7
316.13919	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1538
Annotation	Nororientaline
Peak:m/z	Relative Intensity
50.85156	0.9
51.11277	1.1
58.06591	7.9
71.49437	1.1
86.09666	2.4
92.89467	1.1
95.04959	5.4
97.68361	1.1
104.52271	1.1
107.04949	4.9
117.16093	1.2
121.06497	37.2
133.06448	1.7
137.05992	2.3
142.84787	1.2
150.09149	22.0
178.08582	2.4
195.07899	1.5
223.07520	2.0
225.09090	36.9
238.06119	1.6
241.08559	2.3
253.08566	61.8
254.09361	7.5
255.10136	5.4
257.11609	1.6
266.22379	1.4
270.08917	16.1
272.09030	2.0
280.09470	1.4
280.18890	7.1
285.11124	8.3
301.09500	1.5
301.12881	1.7
302.06693	2.3
316.07904	2.1
316.11346	17.6
316.15363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1543
Annotation	3'-Hydroxy-N-methyl-(S)-coclaurine
Peak:m/z	Relative Intensity
50.46894	1.4
51.45854	1.0
53.28764	1.0
58.06601	5.9
58.64661	1.2
70.06577	1.6
72.04517	8.0
80.44129	1.4
86.09689	2.4
87.04441	1.6
91.05520	1.1
95.04994	1.7
107.04956	58.1
110.01338	1.2
121.06490	11.8
122.06815	1.4
133.06421	1.2
137.05983	15.2
143.04939	5.6
145.06546	2.5
147.04459	1.9
157.90634	1.2
159.04416	1.4
163.07545	1.3
175.07523	9.2
179.08527	1.7
183.07985	1.4
192.10187	13.8
209.09666	2.7
223.07465	2.1
235.07475	1.6
237.09067	10.9
241.08684	1.5
253.08643	9.1
255.08990	2.4
256.07248	6.2
256.10992	2.4
257.06836	2.7
269.11728	13.7
270.11163	12.4
271.09644	27.3
272.09116	7.8
284.09201	2.1
285.11133	1.8
298.10632	5.8
298.14279	5.2
300.08530	11.9
301.09409	23.1
316.08084	5.4
316.11780	100.0
316.15402	90.5
316.21564	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1542
Annotation	Nororientaline
Peak:m/z	Relative Intensity
58.06596	6.3
72.04515	1.2
76.77617	0.9
78.58472	0.8
80.57008	0.9
103.29324	1.0
107.04952	15.2
121.06517	20.3
137.05957	5.4
150.09132	6.6
175.07549	3.4
178.08588	1.1
192.10158	1.7
195.08073	1.9
221.05923	1.2
223.07538	3.7
225.09103	33.9
237.09145	2.0
238.06271	1.7
241.08562	5.6
253.08594	56.0
254.09387	6.8
255.10170	5.5
257.06891	1.7
269.11661	4.6
270.08893	11.1
270.11386	1.5
285.11325	8.1
301.09595	1.1
301.13025	1.7
316.11578	9.3
316.15414	100.0
316.18753	4.1
334.39120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	(S)-Nororientaline
Peak:m/z	Relative Intensity
64.78600	0.9
72.04516	10.7
73.98534	0.8
92.21519	2.0
107.04953	71.9
110.54674	0.9
121.06532	1.4
133.06461	1.2
137.05992	20.6
138.06737	1.7
143.04892	6.4
145.06464	6.3
151.07474	1.2
163.07393	1.8
175.07542	16.3
176.08221	1.4
192.10196	13.9
195.07982	1.5
197.09480	1.6
209.09543	5.1
219.08014	1.2
223.07498	6.3
225.09105	1.5
237.09039	9.2
255.10101	2.5
256.10846	6.4
257.06015	1.3
257.11823	1.4
269.11725	26.1
270.07578	1.9
271.09683	1.2
272.08197	7.3
283.12003	1.1
285.11017	1.1
298.14380	1.9
314.44125	1.1
316.07458	17.3
316.11731	12.5
316.15347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Cephalotaxine
Peak:m/z	Relative Intensity
58.06607	29.0
68.21143	1.0
73.14420	1.0
86.09727	1.8
107.04956	4.0
119.01932	1.0
121.06515	10.4
137.05879	0.9
140.49889	0.9
143.72687	0.9
150.09125	5.4
165.06804	0.9
179.08478	1.1
181.06306	1.3
187.47292	1.0
195.08052	2.2
221.05971	2.0
223.07562	1.3
225.09088	38.5
227.06950	1.1
228.04102	1.1
238.06223	4.2
241.08508	1.7
243.06516	15.5
253.08591	68.1
254.09348	5.6
254.57516	1.2
255.06503	1.3
255.10114	4.8
267.09848	1.2
270.08871	13.9
272.09088	1.3
275.02426	1.3
285.11093	6.1
316.11667	20.9
316.15347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Oxycodone
Peak:m/z	Relative Intensity
51.23749	0.5
58.06611	53.7
67.91602	0.5
69.03401	0.7
70.06596	4.4
72.08165	0.9
73.43917	0.6
77.34192	0.6
85.02914	1.1
87.04465	0.6
98.06056	1.4
99.04425	0.8
116.07087	2.7
121.06518	0.8
121.12415	0.6
123.04435	8.6
124.38601	0.7
124.79609	0.7
127.04026	0.7
137.05995	4.4
143.04933	3.3
153.05426	5.0
154.04982	0.9
154.08615	1.1
161.05981	7.3
163.07535	0.8
166.05008	1.1
173.12891	1.0
178.04967	0.7
178.08687	0.7
191.09407	0.9
192.10194	2.6
195.06491	0.9
201.12492	0.7
211.07562	0.8
239.07071	2.8
243.10149	1.5
253.08739	0.7
257.06799	5.1
263.39706	0.8
270.14929	0.9
271.09680	2.7
272.09195	10.5
273.11224	0.9
298.07068	1.5
298.14279	3.8
316.08075	32.5
316.15454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59761	0.7
72.04516	11.5
94.77575	0.8
95.04970	0.8
107.04961	65.1
115.05450	1.0
117.07043	0.9
121.06506	3.2
125.71719	0.8
131.04951	3.3
137.04930	0.9
137.05968	21.8
138.06808	1.4
143.04942	7.0
143.05882	0.8
145.06470	6.5
151.07526	2.9
163.07527	1.5
175.07559	16.0
176.06990	1.2
176.08339	0.9
191.08459	0.8
192.10205	14.6
193.52097	0.7
195.08099	3.1
197.09619	3.1
209.09579	5.8
209.91382	0.8
223.07556	4.4
225.09056	1.1
237.09148	10.2
244.10925	0.8
247.12633	0.8
254.09418	1.0
255.10277	1.1
256.10870	5.4
257.11819	1.1
269.11728	23.2
283.11978	1.5
298.14246	1.1
299.15323	1.3
316.12079	5.6
316.15421	100.0
334.51215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	3'-Hydroxy-N-methyl-(S)-coclaurine
Peak:m/z	Relative Intensity
51.34025	0.5
57.42352	0.5
59.91330	0.5
85.06993	0.6
89.13342	0.5
91.05511	0.6
92.67825	0.6
102.73391	0.5
115.05446	0.7
120.54986	0.5
121.06488	2.1
123.04429	28.5
125.06014	0.6
133.02498	0.6
137.05977	6.8
143.04918	10.2
149.06013	0.8
151.07567	1.3
152.07936	1.2
153.08203	0.6
160.05231	0.7
161.05997	1.2
175.07559	15.0
178.08650	0.7
192.10193	31.1
207.07991	0.9
225.09128	0.8
235.07486	1.1
253.08601	3.8
257.06824	4.6
257.09116	4.4
272.09100	2.8
285.11182	4.6
299.10846	0.9
300.11395	16.0
301.06018	0.7
301.08774	1.2
301.12094	27.8
316.08203	9.5
316.14825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1543
Annotation	(S)-Nororientaline
Peak:m/z	Relative Intensity
52.63559	0.6
60.04548	0.7
60.97699	0.6
72.04520	8.8
73.62780	0.7
75.53072	0.8
86.09720	1.7
107.04959	65.7
115.05466	1.5
117.57845	0.8
121.06505	4.2
131.04942	1.2
133.06483	1.0
137.05003	1.2
137.05978	21.8
138.06749	3.4
143.04916	7.4
145.06531	5.4
151.07602	1.1
162.09058	1.1
163.07518	1.4
175.07556	15.7
176.08308	1.7
189.93739	0.8
192.10184	15.5
195.08113	1.6
197.09628	1.5
209.09624	6.7
223.07675	5.9
225.09167	1.5
229.07433	3.1
235.07747	0.9
237.09064	11.6
244.10948	1.1
255.10216	1.8
256.10831	2.9
257.06836	26.5
257.22299	0.8
269.11679	19.0
271.09729	3.7
272.09177	12.4
283.11981	1.5
285.11194	1.4
298.07047	1.0
298.14395	1.2
299.15106	1.1
300.08774	6.3
301.05814	6.7
301.09409	5.6
316.08115	42.9
316.11783	38.0
316.15442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Anomoline
Peak:m/z	Relative Intensity
53.60859	0.7
57.69675	0.8
58.06597	4.1
64.74340	0.8
66.25366	0.7
72.04522	7.5
74.16698	0.7
77.86826	0.7
107.04958	43.2
121.06504	16.2
131.04927	1.8
137.05960	13.0
138.06726	0.9
143.04924	4.7
145.06479	3.5
150.09145	10.2
163.07596	1.5
175.07539	9.3
191.47009	1.1
192.10162	7.4
194.07242	1.1
195.08078	1.6
209.09656	4.8
223.07582	2.0
225.09108	15.1
237.09029	6.4
244.10973	1.2
253.08585	23.3
254.09398	4.9
255.10049	3.0
256.10913	3.3
269.11749	13.6
270.08887	5.6
285.11182	1.9
298.14288	1.2
313.62436	0.9
316.12088	3.6
316.15430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1543
Annotation	(S)-Nororientaline
Peak:m/z	Relative Intensity
67.59761	0.7
72.04516	11.5
94.77575	0.8
95.04970	0.8
107.04961	65.1
115.05450	1.0
117.07043	0.9
121.06506	3.2
125.71719	0.8
131.04951	3.3
137.04930	0.9
137.05968	21.8
138.06808	1.4
143.04942	7.0
143.05882	0.8
145.06470	6.5
151.07526	2.9
163.07527	1.5
175.07559	16.0
176.06990	1.2
176.08339	0.9
191.08459	0.8
192.10205	14.6
193.52097	0.7
195.08099	3.1
197.09619	3.1
209.09579	5.8
209.91382	0.8
223.07556	4.4
225.09056	1.1
237.09148	10.2
244.10925	0.8
247.12633	0.8
254.09418	1.0
255.10277	1.1
256.10870	5.4
257.11819	1.1
269.11728	23.2
283.11978	1.5
298.14246	1.1
299.15323	1.3
316.12079	5.6
316.15421	100.0
334.51215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23749	0.5
58.06611	53.7
67.91602	0.5
69.03401	0.7
70.06596	4.4
72.08165	0.9
73.43917	0.6
77.34192	0.6
85.02914	1.1
87.04465	0.6
98.06056	1.4
99.04425	0.8
116.07087	2.7
121.06518	0.8
121.12415	0.6
123.04435	8.6
124.38601	0.7
124.79609	0.7
127.04026	0.7
137.05995	4.4
143.04933	3.3
153.05426	5.0
154.04982	0.9
154.08615	1.1
161.05981	7.3
163.07535	0.8
166.05008	1.1
173.12891	1.0
178.04967	0.7
178.08687	0.7
191.09407	0.9
192.10194	2.6
195.06491	0.9
201.12492	0.7
211.07562	0.8
239.07071	2.8
243.10149	1.5
253.08739	0.7
257.06799	5.1
263.39706	0.8
270.14929	0.9
271.09680	2.7
272.09195	10.5
273.11224	0.9
298.07068	1.5
298.14279	3.8
316.08075	32.5
316.15454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23749	0.5
58.06611	53.7
67.91602	0.5
69.03401	0.7
70.06596	4.4
72.08165	0.9
73.43917	0.6
77.34192	0.6
85.02914	1.1
87.04465	0.6
98.06056	1.4
99.04425	0.8
116.07087	2.7
121.06518	0.8
121.12415	0.6
123.04435	8.6
124.38601	0.7
124.79609	0.7
127.04026	0.7
137.05995	4.4
143.04933	3.3
153.05426	5.0
154.04982	0.9
154.08615	1.1
161.05981	7.3
163.07535	0.8
166.05008	1.1
173.12891	1.0
178.04967	0.7
178.08687	0.7
191.09407	0.9
192.10194	2.6
195.06491	0.9
201.12492	0.7
211.07562	0.8
239.07071	2.8
243.10149	1.5
253.08739	0.7
257.06799	5.1
263.39706	0.8
270.14929	0.9
271.09680	2.7
272.09195	10.5
273.11224	0.9
298.07068	1.5
298.14279	3.8
316.08075	32.5
316.15454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93388	0.9
57.07077	1.6
60.04526	5.5
70.06583	2.3
81.07069	1.4
83.02928	1.2
85.33440	1.0
87.04469	39.0
88.07620	7.7
92.20985	1.7
102.09173	4.9
166.78737	1.1
174.40160	1.2
206.23418	1.1
230.24632	1.2
256.26358	22.1
302.47787	1.1
315.20084	1.2
316.22495	100.0
316.28290	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73309	0.8
55.05524	1.6
56.05024	4.0
57.07079	1.0
60.04528	100.0
64.74932	0.8
67.05505	8.3
67.05787	1.0
69.07059	5.7
72.04506	1.6
74.06064	1.6
78.86185	1.0
79.05486	3.8
79.85155	1.2
81.07048	6.1
81.37299	0.9
83.08605	1.8
90.05554	1.0
91.05501	1.1
93.07043	4.1
95.08595	8.1
97.10172	1.2
97.11859	0.9
98.06013	1.1
107.08626	1.4
109.10128	1.7
121.10155	1.3
137.32431	1.1
156.17354	1.1
250.25290	1.8
280.26324	8.0
298.27322	11.3
316.28436	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.38094	0.9
55.05507	2.4
56.05027	4.8
57.07075	1.1
59.09351	1.0
60.04531	100.0
67.05503	7.2
69.07063	6.3
72.04523	1.6
74.06078	1.6
79.05500	2.6
80.05068	1.0
81.07066	11.4
83.08614	1.8
90.05511	1.3
91.05495	1.3
93.07030	2.0
95.08595	7.9
109.10184	2.0
113.15269	1.0
119.08588	2.1
121.10142	1.5
124.37644	1.0
133.18500	1.1
158.26697	1.0
158.93741	1.1
170.81723	1.1
209.90379	1.2
250.25157	1.1
262.25381	1.2
280.26410	9.2
298.27353	14.8
316.28442	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36011	0.9
55.05513	1.8
56.05034	5.1
57.07077	1.9
60.04531	100.0
67.05498	6.6
69.07061	7.3
71.08630	1.3
72.04509	1.1
74.06087	2.4
77.34328	1.1
79.05467	1.4
81.07048	10.2
83.08627	2.1
93.07038	2.3
95.08630	8.7
97.10160	2.2
100.20511	1.0
109.10162	2.5
114.31185	1.1
115.92659	1.1
119.08566	1.2
121.10133	1.7
123.11672	1.3
133.10043	1.4
141.51176	1.3
250.25302	1.3
262.25397	1.3
280.26303	10.3
293.39340	1.2
298.27426	14.0
300.44342	1.3
316.28452	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65840	0.7
55.05515	2.0
56.05034	4.0
56.59396	0.8
57.07086	0.9
60.04532	100.0
67.05498	6.6
67.51113	0.9
69.07066	5.2
70.06599	0.9
72.04520	1.4
74.06078	1.5
74.49721	0.9
79.05484	4.8
81.07070	8.3
83.08625	4.2
86.06069	1.1
90.05572	1.3
91.05508	1.0
93.07032	3.8
94.06591	1.2
94.39294	1.1
95.08601	10.0
97.10140	1.3
99.70499	0.9
109.10154	4.1
119.08567	1.2
121.10161	1.8
155.91408	1.0
159.66171	0.9
165.57993	1.0
250.25343	1.2
262.25244	1.2
280.26288	8.4
298.27393	12.6
316.28464	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66987	0.9
54.87917	0.8
55.05519	2.3
55.73154	0.9
56.05031	4.3
57.07074	1.4
60.04529	100.0
65.31333	0.8
67.05496	5.2
69.07054	5.4
72.04499	1.2
74.06080	2.0
79.05524	3.5
81.07063	8.7
83.08603	2.2
93.07021	1.7
95.08617	6.4
100.07672	1.2
104.23405	1.0
105.07013	1.1
109.10165	4.7
121.10121	1.7
133.10159	1.3
135.30290	1.0
146.36237	0.9
159.37349	0.9
209.23602	1.0
215.06134	1.1
222.19714	1.0
231.09329	1.0
262.25436	1.8
275.68521	1.1
280.26303	9.1
298.27332	9.4
316.28455	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41859	2.9
52.89888	3.2
55.05523	34.6
57.03445	19.8
57.07095	26.6
58.11970	2.9
60.04523	18.2
60.41478	2.7
67.05507	46.6
69.07072	100.0
71.04996	9.0
71.08624	7.1
73.97701	3.1
76.43748	4.1
79.05492	5.0
79.08241	3.7
81.07056	83.5
83.08619	76.9
85.06546	13.9
85.10183	4.0
91.05457	3.6
93.07034	7.9
95.08612	92.1
97.06544	4.9
97.10174	76.3
105.07116	4.1
107.08612	15.4
109.10150	67.9
111.08089	5.5
111.11726	25.1
111.84918	3.3
119.08542	6.2
121.10149	23.0
123.11736	25.9
133.10112	26.7
135.11716	21.0
137.13246	5.2
140.89807	4.5
147.11668	8.1
149.13289	7.7
161.13261	7.4
163.14761	5.8
165.16368	5.1
167.14386	5.1
175.14818	3.7
245.22641	16.6
254.24792	4.8
263.23685	36.8
280.26370	34.0
281.24670	29.4
298.21881	3.8
298.27463	77.5
299.25790	86.7
316.22763	7.6
316.28406	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05519	53.4
57.07081	68.1
60.04533	48.0
60.17167	6.7
67.05514	64.2
69.07075	98.8
71.08618	22.8
74.81007	5.3
79.05479	14.9
79.64719	6.0
81.07056	100.0
83.08624	88.3
83.63326	6.3
91.05450	11.1
93.07043	36.3
95.08610	99.0
97.10162	58.0
100.07591	9.6
105.07034	28.8
107.08630	24.3
109.10173	52.5
111.11730	13.1
116.45728	6.6
119.08566	15.0
121.10153	14.3
123.11692	24.6
133.10143	29.5
135.11720	14.2
135.71309	6.5
137.13232	9.8
147.11688	11.3
151.11075	10.4
153.12714	8.2
161.13235	10.2
212.42575	7.1
245.22664	16.4
263.23669	31.0
275.23776	7.0
280.26306	78.9
281.24512	7.7
293.14063	9.8
298.22522	8.1
298.27444	77.1
299.25656	36.1
316.19339	13.4
316.22861	45.0
316.28354	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.05521	47.6
57.07085	62.7
67.05520	46.7
67.99475	2.7
69.07073	80.1
71.08643	56.1
79.05489	6.0
81.07064	94.0
82.25850	3.2
83.08635	69.1
85.06535	3.6
85.10177	14.0
86.06100	3.0
91.05472	4.4
93.07054	19.0
95.08611	100.0
97.06574	6.1
97.10173	50.3
99.23265	3.5
100.07621	5.4
105.07032	19.5
107.08604	27.0
109.10157	79.3
111.08093	6.3
111.11723	16.2
114.09140	4.7
119.08587	23.5
121.10114	28.4
123.11681	25.5
125.09624	6.4
127.11150	3.4
128.10704	4.3
133.10158	22.1
135.11742	7.7
137.09608	4.0
137.13266	12.5
141.09129	3.4
141.12769	6.3
147.11690	15.4
151.11191	6.1
151.14787	4.6
153.12704	3.9
155.14287	6.4
156.13852	4.7
161.13263	14.8
163.14780	4.2
165.12810	5.9
165.16498	3.3
169.12259	3.6
172.13347	3.5
173.11775	4.2
174.55365	3.8
175.14932	4.5
179.17876	5.0
207.17459	4.3
245.22614	40.0
253.25151	3.9
263.23615	48.1
280.26343	64.4
280.29099	4.8
281.24664	24.1
298.27341	57.6
299.01160	3.5
299.25854	41.7
316.28339	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.07890	7.2
55.05517	35.2
57.07085	89.5
58.96962	7.6
60.04528	57.2
64.90513	7.5
65.12038	6.8
67.05501	53.4
69.07068	93.3
71.08624	41.7
75.81110	7.6
78.68669	7.6
79.05499	14.5
80.46762	7.2
81.07053	91.9
83.08614	75.0
83.74537	9.1
91.05482	10.2
93.07034	19.0
95.08611	94.5
97.06491	10.2
97.10136	64.1
100.38901	8.6
104.49461	8.1
105.07027	15.3
107.08594	41.1
109.10162	77.3
111.11742	33.6
121.10119	14.1
123.11702	35.7
125.23715	9.2
133.10152	39.0
135.11664	12.0
137.13304	9.2
137.43269	9.1
147.11632	10.9
151.11208	9.8
161.13251	16.8
163.14897	9.3
163.76480	7.6
165.12816	8.1
175.14778	14.6
180.40517	9.0
245.22701	19.0
253.10951	9.3
256.26276	17.4
263.23679	68.8
280.26300	90.8
281.24927	9.4
298.27399	100.0
299.25772	53.7
316.22662	20.4
316.28415	58.0
316.31866	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05333	1.9
55.05524	31.0
55.72739	2.6
57.06822	4.0
57.07085	74.0
59.04986	2.6
67.05222	2.9
67.05513	43.7
68.01615	2.6
69.07073	70.0
71.08280	3.9
71.08636	73.2
71.82762	3.4
79.05473	10.0
80.11301	2.3
81.06617	5.7
81.07066	100.0
83.08628	65.8
85.06529	3.4
85.10204	20.6
91.05474	12.2
93.07056	12.4
95.08606	93.3
97.06534	6.1
97.10170	47.1
105.07043	10.9
105.74662	2.6
107.08606	16.3
109.10155	56.3
109.57881	2.8
111.08085	11.5
111.11713	18.3
119.08591	16.2
121.10164	16.1
123.08084	3.8
123.11700	32.2
125.04531	2.9
125.13332	3.4
133.10143	23.1
135.11716	12.2
137.09648	3.6
137.13234	12.7
139.11163	3.2
141.12752	17.6
147.11665	13.9
149.13277	3.7
151.11151	4.4
155.14336	16.4
160.17509	3.2
161.13246	11.1
163.14882	4.3
167.14142	2.7
172.13321	3.6
175.14862	6.6
179.14377	3.9
189.16330	4.5
193.15913	4.4
204.54539	2.8
245.22629	32.1
253.25217	12.1
263.23724	43.1
280.26260	26.6
281.24762	24.6
298.27435	70.2
299.25848	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0631
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
54.36164	2.6
56.82919	2.9
59.66347	2.9
74.64671	3.6
81.56258	3.7
84.47168	3.7
111.23926	3.8
123.10403	3.3
126.42642	3.4
147.96669	3.8
250.80247	4.2
271.38028	3.8
303.03979	3.7
317.06158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0632
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
62.64568	3.7
80.20518	3.5
143.27022	3.7
186.00621	4.2
317.06229	100.0
317.13974	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54573	3.7
52.23166	2.9
59.71892	2.7
64.91322	3.1
75.79791	3.6
84.08144	7.1
86.09724	4.5
96.90199	3.5
97.02882	5.0
110.09744	3.3
116.64303	3.7
129.10254	5.5
136.06177	4.9
137.05968	7.3
138.06335	20.4
142.81598	3.6
149.83258	4.4
153.77859	4.1
166.08737	4.3
216.21078	3.4
222.07698	4.4
299.13116	15.3
305.11618	4.2
317.06195	100.0
317.13943	45.1
317.17142	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81750	0.4
58.06600	2.3
59.06931	0.6
84.08169	0.8
89.50887	0.5
91.54939	0.5
107.04930	0.6
108.05258	0.6
110.63654	0.5
126.12792	2.2
215.11826	1.0
227.08902	0.7
231.11308	1.0
243.11284	2.2
255.08635	1.2
256.09109	4.0
258.07181	4.3
271.11505	18.6
272.09128	1.3
273.09488	16.2
283.07916	0.8
284.08664	0.8
299.10849	4.1
299.14053	2.0
301.09018	15.4
302.06415	1.0
302.09753	20.5
317.08609	6.5
317.12076	100.0
317.14914	4.0
317.18335	4.8
320.48892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.0
63.62892	0.5
69.03455	0.7
72.04504	0.7
80.18326	0.5
81.07087	0.7
84.08146	0.8
85.02906	4.2
86.09715	0.7
87.68885	0.5
91.05480	2.3
93.65830	0.5
97.02891	2.7
104.53822	0.5
107.04967	1.3
119.04956	0.9
137.06003	21.8
137.07059	3.3
138.06331	2.2
142.08620	1.3
143.04953	0.7
149.05988	1.2
151.07527	3.5
155.07068	0.8
161.05977	3.1
164.06845	0.8
165.05354	0.8
165.07396	0.8
173.06046	0.9
175.07478	1.1
179.06978	3.9
199.07491	0.9
201.03922	0.9
203.07016	3.8
245.07928	0.9
246.07654	0.7
254.08733	0.6
263.09149	2.8
270.11176	7.8
271.11569	100.0
273.08368	1.3
281.10266	1.1
284.08618	3.0
299.11032	4.4
317.07736	4.2
317.12054	50.6
317.15088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1216
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
58.06595	1.0
63.62892	0.5
69.03455	0.7
72.04504	0.7
80.18326	0.5
81.07087	0.7
84.08146	0.8
85.02906	4.2
86.09715	0.7
87.68885	0.5
91.05480	2.3
93.65830	0.5
97.02891	2.7
104.53822	0.5
107.04967	1.3
119.04956	0.9
137.06003	21.8
137.07059	3.3
138.06331	2.2
142.08620	1.3
143.04953	0.7
149.05988	1.2
151.07527	3.5
155.07068	0.8
161.05977	3.1
164.06845	0.8
165.05354	0.8
165.07396	0.8
173.06046	0.9
175.07478	1.1
179.06978	3.9
199.07491	0.9
201.03922	0.9
203.07016	3.8
245.07928	0.9
246.07654	0.7
254.08733	0.6
263.09149	2.8
270.11176	7.8
271.11569	100.0
273.08368	1.3
281.10266	1.1
284.08618	3.0
299.11032	4.4
317.07736	4.2
317.12054	50.6
317.15088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1229
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
58.21214	4.3
67.28814	4.1
68.18796	5.1
69.51215	4.0
79.99964	5.9
81.03421	16.4
85.02908	65.6
91.05502	6.5
91.75182	4.6
97.02900	50.5
103.03948	9.0
105.07059	5.6
107.04948	9.2
108.05273	7.7
109.02897	5.9
111.04416	5.4
115.05417	6.4
121.06470	5.7
123.04418	9.2
127.03939	8.1
129.06985	19.5
130.39297	4.2
131.04866	6.1
133.06488	19.6
137.05989	86.5
143.04918	20.5
145.06516	9.1
147.04474	6.2
147.08046	6.0
149.05994	44.9
151.07532	90.3
157.06496	22.6
160.05174	5.3
161.05952	59.1
165.05428	48.9
167.07004	23.6
171.08064	7.5
173.05986	17.5
175.07542	52.1
177.05421	7.8
179.07039	100.0
181.06462	5.8
185.06036	19.9
186.88185	4.9
186.99104	4.5
187.07500	5.4
189.09109	8.1
191.07069	26.2
199.07513	7.4
203.07019	83.2
205.08609	8.8
217.08617	18.5
221.08076	24.8
227.07001	10.0
227.29527	5.1
233.08057	24.3
245.08028	46.5
251.09242	5.7
263.09207	72.2
281.10361	17.1
299.11148	18.0
317.11557	5.6
317.15601	28.9
317.20679	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78432	1.7
58.19699	1.7
59.62916	1.5
67.28503	1.5
67.66658	1.9
69.03433	3.1
70.06596	2.3
72.08164	2.0
84.08147	24.7
85.02913	3.2
85.23747	1.7
86.09704	12.3
87.04468	46.2
94.06568	2.8
95.41309	1.9
97.02903	20.6
98.03226	17.3
98.98488	1.7
106.06561	2.1
110.07195	1.9
120.04496	2.7
126.05595	2.4
129.10233	12.8
132.08095	2.0
133.06036	3.2
134.06091	2.2
135.03185	3.8
136.03966	11.4
136.06184	44.1
136.07278	3.2
136.07611	3.5
137.06662	24.1
138.06288	2.7
139.70146	1.8
150.05515	3.3
154.04980	10.4
160.07616	3.1
172.07571	1.8
173.96938	2.0
178.04924	4.5
178.08656	3.0
181.40610	1.8
187.07362	1.9
190.08574	3.7
192.06575	2.0
194.08073	19.7
196.09784	1.9
204.06519	2.6
209.09247	11.6
210.07640	2.9
212.09132	23.4
220.09807	1.8
221.09285	4.1
222.07597	100.0
226.07201	1.8
236.09044	2.4
238.10823	6.3
239.10190	37.5
240.05060	3.0
240.08667	36.9
246.07819	2.2
256.11722	3.6
257.11325	35.7
264.08636	15.5
281.11307	13.8
282.09738	21.1
299.12357	37.1
300.10840	16.8
317.05945	8.1
317.09045	22.6
317.13452	54.1
317.21762	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78432	1.7
58.19699	1.7
59.62916	1.5
67.28503	1.5
67.66658	1.9
69.03433	3.1
70.06596	2.3
72.08164	2.0
84.08147	24.7
85.02913	3.2
85.23747	1.7
86.09704	12.3
87.04468	46.2
94.06568	2.8
95.41309	1.9
97.02903	20.6
98.03226	17.3
98.98488	1.7
106.06561	2.1
110.07195	1.9
120.04496	2.7
126.05595	2.4
129.10233	12.8
132.08095	2.0
133.06036	3.2
134.06091	2.2
135.03185	3.8
136.03966	11.4
136.06184	44.1
136.07278	3.2
136.07611	3.5
137.06662	24.1
138.06288	2.7
139.70146	1.8
150.05515	3.3
154.04980	10.4
160.07616	3.1
172.07571	1.8
173.96938	2.0
178.04924	4.5
178.08656	3.0
181.40610	1.8
187.07362	1.9
190.08574	3.7
192.06575	2.0
194.08073	19.7
196.09784	1.9
204.06519	2.6
209.09247	11.6
210.07640	2.9
212.09132	23.4
220.09807	1.8
221.09285	4.1
222.07597	100.0
226.07201	1.8
236.09044	2.4
238.10823	6.3
239.10190	37.5
240.05060	3.0
240.08667	36.9
246.07819	2.2
256.11722	3.6
257.11325	35.7
264.08636	15.5
281.11307	13.8
282.09738	21.1
299.12357	37.1
300.10840	16.8
317.05945	8.1
317.09045	22.6
317.13452	54.1
317.21762	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	15.5
59.06950	6.3
77.89252	0.6
83.05320	0.7
87.04475	9.0
105.07935	0.7
107.04970	4.4
108.05277	1.2
109.05474	1.2
112.07630	0.8
121.06466	1.5
137.06009	1.5
158.08115	0.9
165.63144	0.7
178.08539	1.4
179.08968	1.2
186.09024	0.7
208.08276	1.2
210.10046	0.9
215.77145	0.9
227.11845	1.0
231.11281	52.3
240.09978	0.8
258.07156	10.1
271.11560	7.7
272.12656	1.6
273.09467	8.8
299.10565	1.2
299.13852	4.0
301.08948	4.7
302.06415	1.1
302.09451	5.5
317.08530	14.0
317.11975	18.4
317.14984	100.0
317.18463	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	15.5
59.06950	6.3
77.89252	0.6
83.05320	0.7
87.04475	9.0
105.07935	0.7
107.04970	4.4
108.05277	1.2
109.05474	1.2
112.07630	0.8
121.06466	1.5
137.06009	1.5
158.08115	0.9
165.63144	0.7
178.08539	1.4
179.08968	1.2
186.09024	0.7
208.08276	1.2
210.10046	0.9
215.77145	0.9
227.11845	1.0
231.11281	52.3
240.09978	0.8
258.07156	10.1
271.11560	7.7
272.12656	1.6
273.09467	8.8
299.10565	1.2
299.13852	4.0
301.08948	4.7
302.06415	1.1
302.09451	5.5
317.08530	14.0
317.11975	18.4
317.14984	100.0
317.18463	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32704	0.9
53.43240	1.2
59.01717	1.0
64.00287	1.0
68.76196	1.1
77.89743	1.1
81.07073	1.2
81.71867	1.2
105.07019	2.4
107.08540	1.4
119.08574	1.2
138.05479	12.2
138.09154	4.8
145.10133	1.5
150.09059	1.4
152.07059	19.4
166.04990	37.3
180.06554	23.3
214.12410	3.7
229.13330	2.2
230.11754	2.2
241.13559	1.9
242.11742	5.2
246.14809	2.8
256.08411	2.0
257.12836	35.5
260.12787	2.5
267.11215	2.0
268.09741	1.3
272.11536	20.9
274.09491	1.9
285.12338	37.0
288.11035	7.3
289.15506	1.7
303.13333	15.8
317.14941	100.0
317.21011	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
69.07059	3.3
81.07038	1.0
82.11571	0.6
92.20837	0.7
109.57139	0.6
119.08586	0.7
130.44127	0.6
135.04436	2.4
143.08589	0.7
147.08043	0.9
149.05975	15.2
157.10109	0.9
161.05942	9.2
163.03856	5.0
171.11708	3.4
173.05922	1.2
175.07539	4.1
175.11143	5.0
177.05464	17.6
182.02196	0.6
187.11197	3.2
188.08235	0.8
189.12717	2.6
199.11166	2.9
201.09093	6.8
202.09921	0.8
203.10736	3.2
205.04956	23.9
205.06773	1.1
205.12238	5.5
215.10658	21.2
215.12605	1.0
217.12230	40.4
219.10065	0.6
229.12071	2.1
231.10172	3.2
233.11707	11.5
243.10088	12.1
257.15424	1.3
257.86395	0.8
261.11218	17.5
271.16885	7.0
273.18488	4.1
299.16397	3.5
317.17459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
56.80350	0.7
69.07065	1.7
70.77266	0.9
115.36964	0.8
133.06499	1.0
135.04419	3.7
149.05984	14.9
155.80000	0.9
161.05991	8.4
163.03908	5.8
171.11641	3.6
175.07544	1.4
175.11165	6.3
176.64555	0.9
177.05478	16.3
187.03958	1.5
187.11252	1.6
188.08354	1.0
189.12794	1.5
199.11182	3.5
201.09074	5.1
203.10611	1.4
205.04955	25.2
205.12219	4.3
215.10672	17.0
217.12233	37.4
229.12215	1.1
231.10138	1.2
233.11755	11.7
235.09833	1.0
243.10216	10.8
253.11009	4.6
257.15341	1.7
261.11237	17.0
271.16843	6.5
273.18457	1.9
299.16330	2.1
317.17459	100.0
319.48923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
68.80248	0.5
69.07064	2.5
75.64212	0.5
79.05495	0.6
81.07047	0.7
83.08601	0.7
89.87685	0.4
91.05459	0.8
93.07037	1.2
95.08591	0.8
96.86832	0.4
105.07049	1.0
107.08611	0.7
112.64337	0.5
119.08569	2.1
121.06533	1.2
131.08551	1.1
133.06500	1.1
133.10104	0.8
135.04399	4.2
143.08516	0.7
149.05968	14.0
153.67088	0.6
157.10106	1.2
159.08054	0.8
159.11668	2.0
161.05978	8.4
163.03900	5.1
171.11705	3.3
173.05939	1.0
173.09625	0.8
175.07565	2.5
175.11168	6.5
177.05453	18.0
187.03899	1.2
187.07605	0.6
187.11104	4.0
188.08328	1.2
189.05482	0.8
189.12749	3.3
197.09576	0.6
199.11140	4.6
201.09148	5.8
202.09958	1.1
203.10637	3.8
205.04955	24.9
205.12216	6.8
213.68465	0.6
215.10667	16.9
217.12231	36.7
219.06610	0.7
222.06085	0.5
229.12199	1.9
231.10115	3.4
233.11736	8.8
243.10139	12.5
243.13892	0.6
243.20976	0.6
245.15456	0.7
253.11069	1.9
255.17557	0.7
257.15390	2.6
260.15097	0.5
261.11200	20.7
271.16922	6.9
273.18521	3.2
299.16422	2.8
299.19748	1.0
317.17474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63076	1.3
50.74577	1.4
55.05499	1.8
57.07067	2.4
58.08245	1.5
60.04534	16.2
61.04867	1.9
67.05528	1.9
69.07079	2.0
70.07398	1.4
73.40284	1.3
81.07072	3.5
88.07639	2.5
90.93487	1.5
91.01296	1.7
95.08634	2.6
106.08687	3.0
110.93661	1.8
155.07016	3.4
159.48792	1.4
215.95747	2.7
220.69298	1.7
225.30084	1.9
253.11252	1.9
267.73825	1.6
317.20865	100.0
317.28635	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77377	1.5
57.17054	1.5
58.36013	1.6
60.04519	2.4
65.33040	1.7
65.65067	1.7
67.05509	2.3
69.07064	3.8
74.36053	1.6
81.07067	2.9
94.00655	1.9
95.08617	3.0
137.05986	2.1
155.07056	3.2
165.05501	9.1
175.03926	2.6
191.31873	2.2
193.04980	24.6
224.36151	2.1
255.25111	11.2
276.84628	1.9
281.27020	2.8
306.78714	2.3
317.17511	5.7
317.20889	100.0
317.24564	3.3
317.28973	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00636	1.0
58.75110	1.1
62.79232	1.0
62.79557	1.1
63.26583	1.0
79.05573	1.4
121.65824	1.1
197.25085	1.6
214.35944	1.3
245.52477	1.6
286.47577	1.4
317.20923	100.0
317.24640	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.6
58.92043	1.4
60.04511	2.2
67.05486	6.3
69.07052	2.2
70.25146	1.6
79.05486	2.5
79.44285	1.4
81.07036	7.2
83.08606	1.6
85.06599	1.5
87.04458	5.6
91.05447	6.2
93.06998	8.4
95.08562	7.5
105.07000	11.2
107.08570	6.3
109.10108	3.7
112.09041	1.6
117.06935	1.8
119.08517	9.4
120.12167	1.7
123.11683	2.0
131.08519	2.5
133.10051	7.5
145.10085	6.3
147.11623	7.2
149.09589	3.3
159.11665	2.3
161.13219	6.3
163.11136	11.6
173.13206	2.0
175.14771	3.0
183.11641	1.8
189.12645	2.5
197.13206	3.0
213.16365	2.3
215.14325	12.3
253.19308	8.2
257.26587	1.9
271.20450	9.8
299.19629	9.0
317.17111	9.4
317.20850	100.0
317.24368	6.7
317.28622	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2097
Annotation	Cespihypotin M
Peak:m/z	Relative Intensity
55.05498	2.6
58.92043	1.4
60.04511	2.2
67.05486	6.3
69.07052	2.2
70.25146	1.6
79.05486	2.5
79.44285	1.4
81.07036	7.2
83.08606	1.6
85.06599	1.5
87.04458	5.6
91.05447	6.2
93.06998	8.4
95.08562	7.5
105.07000	11.2
107.08570	6.3
109.10108	3.7
112.09041	1.6
117.06935	1.8
119.08517	9.4
120.12167	1.7
123.11683	2.0
131.08519	2.5
133.10051	7.5
145.10085	6.3
147.11623	7.2
149.09589	3.3
159.11665	2.3
161.13219	6.3
163.11136	11.6
173.13206	2.0
175.14771	3.0
183.11641	1.8
189.12645	2.5
197.13206	3.0
213.16365	2.3
215.14325	12.3
253.19308	8.2
257.26587	1.9
271.20450	9.8
299.19629	9.0
317.17111	9.4
317.20850	100.0
317.24368	6.7
317.28622	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2472
Annotation	Urushiol III
Peak:m/z	Relative Intensity
51.19687	1.0
55.05507	5.7
57.07082	1.9
58.41221	1.0
63.48173	1.4
67.05495	8.1
69.07066	13.0
79.05473	4.8
81.07070	13.4
83.08614	6.6
91.05457	5.0
93.07040	14.0
95.08620	2.5
95.83028	1.5
105.07046	17.8
107.08575	12.5
109.06512	4.9
109.10170	2.9
117.07010	2.2
119.08577	19.7
121.06499	11.8
121.10120	6.5
123.08038	1.9
131.08548	6.1
133.10123	10.3
135.08087	10.1
135.11708	8.1
136.75688	1.5
145.10110	8.0
147.11688	9.3
149.13298	4.8
159.11694	3.3
161.13248	7.7
163.11180	7.5
163.14717	1.8
165.12732	3.2
165.15292	1.3
175.14836	2.4
177.12729	14.0
202.60281	1.2
210.42097	1.3
275.02576	1.4
289.25067	11.5
299.23483	2.1
317.24722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Urushiol III
Peak:m/z	Relative Intensity
55.01861	0.9
55.05512	6.4
57.03447	1.7
57.07093	4.0
59.43253	0.8
64.35543	0.7
67.05512	7.8
68.13212	0.8
68.83245	0.8
69.03416	3.6
69.07076	9.3
71.04999	1.2
76.93123	0.9
79.05496	4.8
81.07063	18.3
83.08626	4.7
85.06567	1.1
91.05492	3.9
93.07047	17.6
95.04958	1.0
95.08611	16.9
97.06484	1.3
97.10163	1.4
101.17154	0.9
105.07059	14.0
107.08598	16.3
109.06487	3.6
109.10188	4.2
117.07044	1.4
119.08566	10.5
121.06518	8.8
121.07234	1.0
121.10167	11.3
123.08057	4.0
123.11732	5.0
131.08557	4.1
133.10104	8.3
135.08032	7.1
135.11703	7.9
137.93228	0.9
145.10147	7.9
147.11687	7.8
149.09665	2.3
149.13264	5.3
156.45805	0.9
159.11684	4.6
161.13300	2.0
163.11214	5.0
163.14848	0.9
165.12834	4.7
173.13274	4.0
177.12735	5.9
180.08847	0.8
236.21346	1.0
271.24115	1.9
277.31500	1.0
289.25281	25.0
299.24100	1.4
317.24808	100.0
322.80524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	Urushiol III
Peak:m/z	Relative Intensity
52.85359	2.0
55.05524	6.1
55.43866	2.0
57.07067	2.9
60.04515	2.6
65.66273	2.5
67.05513	5.4
69.03417	3.2
69.07062	18.3
79.05470	2.6
81.07057	10.6
83.08614	14.1
90.71642	2.6
93.07049	14.0
95.08614	4.2
98.98465	4.9
105.07030	21.1
107.08606	12.5
112.45146	2.7
119.08560	24.6
121.06505	14.2
121.10134	3.8
123.11716	3.4
131.08536	4.5
133.10146	16.5
135.08037	10.1
135.11653	10.4
145.10133	5.8
147.11693	5.3
155.07039	3.2
159.11725	5.5
161.13252	12.5
163.11159	6.3
177.12692	3.9
282.86353	2.9
289.25226	4.6
317.24747	100.0
337.43268	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2473
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
54.24015	2.1
54.82944	2.2
67.05496	3.3
68.57899	2.4
73.19627	2.3
81.07043	11.4
81.91300	2.5
83.05036	2.3
85.06540	12.7
87.61430	2.3
93.07040	15.3
95.08593	14.1
103.99982	2.6
105.07018	12.3
107.08591	20.0
109.10178	4.2
113.15826	2.4
119.08555	6.8
121.10155	9.7
123.11716	3.8
133.10080	12.0
135.11690	13.5
137.09496	2.7
145.10118	16.3
147.11667	27.1
149.13258	4.9
157.10088	3.8
159.11694	19.6
161.13252	12.0
163.14816	3.4
168.11513	2.9
173.13318	6.4
175.14708	3.4
185.13254	5.0
187.14944	3.0
191.14359	5.9
203.14297	12.4
205.15854	4.7
210.86232	3.1
215.17863	6.3
217.15836	5.7
225.16377	4.5
235.59332	3.1
255.21132	11.2
281.22549	33.4
299.23657	100.0
306.56552	3.1
317.21185	11.0
317.24710	73.1
320.54211	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Urushiol III
Peak:m/z	Relative Intensity
54.88686	1.2
55.05514	8.0
57.07081	3.5
67.05507	12.0
69.07073	18.1
71.08598	1.7
72.23729	1.4
79.05486	5.8
80.34668	1.4
81.07055	16.3
83.08629	7.6
91.05473	5.6
93.07068	13.5
95.08616	13.9
97.10173	2.0
105.07038	24.8
107.08590	13.0
109.06482	1.8
109.10173	2.6
110.22349	1.4
117.07020	2.0
119.08582	26.0
121.06487	11.2
121.10106	8.4
123.11745	2.3
131.08545	2.4
133.10133	13.2
135.08057	9.8
135.11691	9.3
145.10123	6.7
146.67149	1.4
147.11763	5.8
149.13261	3.5
155.07030	2.3
159.11710	2.2
161.09648	1.5
161.13219	8.2
163.11142	7.1
165.12784	1.8
175.14803	3.3
177.12769	12.5
191.14186	2.0
289.25311	11.4
300.26111	2.3
315.24457	2.0
317.12094	2.1
317.24747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
53.93279	1.1
60.63128	1.2
67.05499	2.6
71.04987	2.9
73.70425	1.3
77.27766	1.5
79.05479	3.1
81.07059	11.9
85.06532	14.9
86.06060	2.8
93.07033	14.2
95.08627	11.3
100.21590	1.3
101.06027	1.5
105.07021	8.9
107.08596	22.5
107.37611	1.5
109.10143	9.2
119.08566	8.6
121.10159	12.7
123.11696	3.2
131.08589	3.1
133.10136	14.1
135.11696	8.0
137.05988	6.3
137.09654	1.6
138.13441	1.6
145.10112	11.6
147.11667	21.2
149.13248	5.8
157.10201	2.8
159.11713	15.4
161.13197	12.0
163.14754	1.8
171.11711	2.1
173.13222	9.7
175.14809	6.0
185.13210	7.2
187.14766	7.9
189.12787	2.9
191.14293	11.5
197.13289	2.7
199.14786	6.8
201.16328	2.4
203.14296	11.4
205.15871	8.4
211.14838	2.7
213.16542	1.8
215.17947	7.8
225.16402	3.4
229.19438	3.1
239.17871	3.2
241.19467	8.8
253.34129	1.8
255.21002	13.7
266.26205	1.5
281.22623	33.5
299.23666	100.0
317.21301	4.4
317.24710	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
67.05503	5.9
68.10865	1.3
79.05504	3.0
81.07060	8.6
85.06529	10.2
91.05509	2.1
93.07030	10.4
94.94633	1.4
95.08614	11.4
105.07024	11.6
107.08592	22.5
109.10167	14.5
119.08609	6.9
121.10161	9.3
123.36616	1.5
131.08583	7.5
133.10086	13.3
135.11688	7.8
135.21284	1.5
141.70207	1.3
143.08530	2.2
145.10143	14.9
147.11667	24.3
149.13246	6.0
157.10158	3.2
159.11638	12.1
161.13243	13.4
163.14830	1.9
171.11722	3.3
173.13269	8.9
175.13423	1.4
175.14854	9.4
180.88597	1.5
185.13283	6.4
187.14853	8.1
191.14310	8.2
197.13306	1.9
199.14841	5.9
201.16376	2.8
203.14320	14.1
205.15837	7.3
211.14873	5.7
215.17957	3.1
217.15842	2.0
225.16350	4.7
227.17967	2.1
229.19464	2.3
241.19533	8.9
245.18939	1.6
255.21008	11.4
266.03973	1.7
281.22681	33.6
299.23706	100.0
317.17502	2.1
317.21249	4.1
317.24719	68.7
317.28427	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73085	4.1
55.05519	47.8
55.30655	4.4
55.93274	4.4
57.07084	82.2
58.07418	23.7
64.14335	4.8
67.05508	54.3
67.33904	5.4
68.05857	21.2
69.07080	78.2
70.07396	36.2
71.08632	63.9
72.08977	24.5
79.05490	9.8
79.15353	5.0
81.07066	95.5
82.07388	34.6
82.32673	5.5
83.08634	75.3
84.08948	26.8
85.10152	7.2
91.05489	9.0
93.07057	20.7
94.07373	12.3
95.08600	71.9
96.08949	47.3
97.06492	5.6
97.10165	49.6
98.10471	8.9
100.07603	6.1
105.07023	7.5
107.08597	22.0
109.10151	65.4
110.10490	42.5
111.11687	5.9
119.08564	20.8
120.08961	7.7
120.80207	6.8
121.10116	11.5
122.10476	8.5
123.11694	22.1
124.12029	26.4
131.57114	5.7
133.10121	28.0
134.10481	24.8
135.11708	7.8
141.12706	6.6
147.11691	13.0
148.12039	8.4
162.13548	6.2
166.13057	6.9
166.16739	7.7
176.15297	7.9
190.16603	7.7
212.21127	5.8
238.73291	6.2
246.23022	29.5
264.24036	76.8
281.26730	82.8
282.25043	21.6
299.20065	8.1
299.27777	100.0
300.26187	54.8
317.21103	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73085	4.1
55.05519	47.8
55.30655	4.4
55.93274	4.4
57.07084	82.2
58.07418	23.7
64.14335	4.8
67.05508	54.3
67.33904	5.4
68.05857	21.2
69.07080	78.2
70.07396	36.2
71.08632	63.9
72.08977	24.5
79.05490	9.8
79.15353	5.0
81.07066	95.5
82.07388	34.6
82.32673	5.5
83.08634	75.3
84.08948	26.8
85.10152	7.2
91.05489	9.0
93.07057	20.7
94.07373	12.3
95.08600	71.9
96.08949	47.3
97.06492	5.6
97.10165	49.6
98.10471	8.9
100.07603	6.1
105.07023	7.5
107.08597	22.0
109.10151	65.4
110.10490	42.5
111.11687	5.9
119.08564	20.8
120.08961	7.7
120.80207	6.8
121.10116	11.5
122.10476	8.5
123.11694	22.1
124.12029	26.4
131.57114	5.7
133.10121	28.0
134.10481	24.8
135.11708	7.8
141.12706	6.6
147.11691	13.0
148.12039	8.4
162.13548	6.2
166.13057	6.9
166.16739	7.7
176.15297	7.9
190.16603	7.7
212.21127	5.8
238.73291	6.2
246.23022	29.5
264.24036	76.8
281.26730	82.8
282.25043	21.6
299.20065	8.1
299.27777	100.0
300.26187	54.8
317.21103	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63999	9.8
55.05523	19.4
57.07076	47.5
59.21230	10.4
67.05481	19.8
68.05838	17.3
69.07063	68.4
70.07399	18.5
71.08624	14.0
72.08958	11.8
78.15852	10.3
79.05482	19.1
81.07047	75.7
81.76558	11.2
82.07414	21.7
83.08620	62.7
84.08958	21.9
85.06531	11.8
91.05500	43.9
93.07030	24.9
95.08607	92.8
96.08932	39.6
97.10172	18.9
99.08128	12.8
105.06996	25.1
107.08547	14.4
107.81519	10.7
109.10169	44.6
127.11174	16.7
143.08479	11.7
246.23001	19.2
264.24094	52.6
278.45413	11.3
280.72632	12.8
281.26718	89.7
299.27786	100.0
300.26151	50.2
317.13495	46.2
317.17346	20.4
317.20856	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1328
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
58.06590	0.7
60.04541	1.7
64.22080	0.5
69.07057	0.5
70.06596	0.5
72.08149	0.6
85.02913	3.1
86.09705	10.8
87.21388	0.5
90.70021	0.5
107.04952	0.6
118.08679	0.9
121.06537	3.4
127.03906	0.6
137.06021	0.9
138.39999	0.5
141.93304	0.5
149.05998	0.8
149.65300	0.5
154.84366	0.5
173.12813	2.7
175.03990	0.5
183.08057	0.7
185.05981	2.4
187.07251	1.1
187.10838	0.7
197.06042	0.6
199.07526	4.0
201.12422	2.1
205.11838	1.1
206.08110	35.2
211.07526	2.3
213.09146	2.7
214.00232	0.5
214.08496	0.5
227.07008	2.1
228.10193	0.6
237.10771	0.7
239.07106	0.8
241.08598	2.2
242.08154	2.1
244.09706	0.9
257.10474	0.6
259.09695	0.5
274.10696	7.6
279.20493	0.6
286.10724	2.8
287.09103	1.9
288.08633	0.6
290.08115	0.6
300.07941	3.1
300.12213	2.1
302.10260	9.5
303.11029	12.2
318.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1334
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
56.89158	0.2
58.95527	0.2
60.04520	0.4
63.33968	0.2
72.08164	1.9
86.09724	2.0
121.77370	0.3
125.06014	0.3
127.89349	0.3
132.10211	0.3
159.11308	0.5
173.12880	0.3
187.10747	0.5
201.12314	0.3
201.73799	0.3
205.11740	0.4
219.13425	0.4
223.10892	0.3
257.10327	1.1
260.09079	0.3
272.08884	0.3
273.09851	0.3
274.10724	16.8
277.02618	0.3
285.09854	0.4
286.10709	2.9
288.08612	3.9
300.12228	1.7
302.06665	0.6
302.10205	20.0
303.10995	30.3
318.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1335
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
52.62034	0.2
55.14477	0.2
60.04513	0.4
65.49337	0.2
70.06566	0.3
72.08140	2.8
85.02903	0.3
86.09707	3.8
118.08680	0.4
121.06400	0.3
126.72205	0.3
128.07068	0.3
132.10217	0.5
140.48810	0.3
159.11307	0.6
164.07091	0.3
173.12883	0.7
187.10812	1.2
201.12384	0.5
205.11780	0.6
219.13373	0.6
234.48470	0.3
257.10440	0.6
260.09238	0.5
273.09894	0.3
274.10727	17.8
285.10059	0.5
286.10757	3.2
287.11542	0.3
288.08704	2.8
300.12268	1.2
302.06674	0.5
302.10217	22.0
303.10983	32.2
318.13327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1333
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
52.58924	1.1
53.69581	1.0
56.14169	1.3
57.05051	1.1
58.06588	1.4
74.19218	1.2
85.02887	9.2
86.09701	11.1
96.93118	1.7
97.02917	1.8
104.49555	1.4
118.06523	39.8
118.83463	1.4
119.04929	1.6
119.39131	1.4
121.06475	8.6
123.04416	2.2
127.03850	2.0
131.04877	2.4
137.05952	1.6
138.06302	2.6
142.08530	1.3
146.06001	95.8
147.04399	11.8
152.06978	10.7
162.05449	5.7
164.07056	80.3
167.05605	1.6
167.07025	48.3
174.07590	1.4
179.36401	1.4
180.10175	17.7
182.08105	2.4
191.07079	1.7
195.07971	2.5
201.12332	7.3
220.09671	16.5
223.07536	6.2
229.11800	1.7
241.08594	8.1
251.06920	1.9
254.05627	1.9
269.08041	13.1
270.11288	3.1
272.11801	17.3
283.09766	2.6
300.08496	2.1
301.10666	19.6
318.10138	4.7
318.13254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29824	2.2
57.03439	3.5
58.06364	2.4
58.06602	24.4
61.02939	7.7
69.03416	12.5
70.06584	4.9
71.04991	2.3
72.08157	19.7
73.02930	3.2
74.06077	12.9
81.03432	3.6
85.02908	99.7
91.03955	4.5
97.02892	21.5
99.04449	11.0
109.02876	10.8
121.02850	9.3
121.06506	100.0
127.03928	23.3
128.10760	2.8
130.88608	2.3
133.71994	2.2
136.25858	2.3
138.09123	3.4
139.03940	23.2
145.04974	31.0
145.06607	2.8
163.05995	12.8
173.12852	4.5
179.42520	2.3
187.07520	13.8
201.12354	11.9
205.08601	13.2
229.08611	4.8
247.09631	3.7
256.09564	2.8
260.40164	2.3
265.10831	3.5
274.10910	4.0
318.09686	19.6
318.13336	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96164	2.5
53.47676	2.8
57.03446	3.9
61.02924	5.6
69.03439	16.0
73.02904	5.8
81.03429	3.5
85.02913	100.0
86.09703	23.5
87.04462	8.1
88.03986	4.6
91.03936	4.8
97.02890	32.3
99.04475	3.9
109.02909	4.2
116.64938	3.6
121.06519	72.7
125.52406	3.4
127.03925	17.8
132.10199	5.5
137.05974	8.0
138.06316	8.5
145.04968	31.2
156.10283	7.4
163.06088	7.9
174.07584	4.5
180.08690	26.0
187.07480	8.2
199.35274	3.5
201.12360	7.1
205.08549	4.9
257.06656	4.1
258.07559	17.7
259.08524	5.8
259.11920	16.9
265.10663	4.5
272.09262	40.6
272.11807	7.7
274.08249	5.1
274.10858	8.7
276.14609	6.2
300.08670	59.5
300.11746	5.8
302.12463	6.0
318.10052	90.7
318.13269	28.4
318.19171	16.2
318.76883	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96164	2.5
53.47676	2.8
57.03446	3.9
61.02924	5.6
69.03439	16.0
73.02904	5.8
81.03429	3.5
85.02913	100.0
86.09703	23.5
87.04462	8.1
88.03986	4.6
91.03936	4.8
97.02890	32.3
99.04475	3.9
109.02909	4.2
116.64938	3.6
121.06519	72.7
125.52406	3.4
127.03925	17.8
132.10199	5.5
137.05974	8.0
138.06316	8.5
145.04968	31.2
156.10283	7.4
163.06088	7.9
174.07584	4.5
180.08690	26.0
187.07480	8.2
199.35274	3.5
201.12360	7.1
205.08549	4.9
257.06656	4.1
258.07559	17.7
259.08524	5.8
259.11920	16.9
265.10663	4.5
272.09262	40.6
272.11807	7.7
274.08249	5.1
274.10858	8.7
276.14609	6.2
300.08670	59.5
300.11746	5.8
302.12463	6.0
318.10052	90.7
318.13269	28.4
318.19171	16.2
318.76883	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29824	2.2
57.03439	3.5
58.06364	2.4
58.06602	24.4
61.02939	7.7
69.03416	12.5
70.06584	4.9
71.04991	2.3
72.08157	19.7
73.02930	3.2
74.06077	12.9
81.03432	3.6
85.02908	99.7
91.03955	4.5
97.02892	21.5
99.04449	11.0
109.02876	10.8
121.02850	9.3
121.06506	100.0
127.03928	23.3
128.10760	2.8
130.88608	2.3
133.71994	2.2
136.25858	2.3
138.09123	3.4
139.03940	23.2
145.04974	31.0
145.06607	2.8
163.05995	12.8
173.12852	4.5
179.42520	2.3
187.07520	13.8
201.12354	11.9
205.08601	13.2
229.08611	4.8
247.09631	3.7
256.09564	2.8
260.40164	2.3
265.10831	3.5
274.10910	4.0
318.09686	19.6
318.13336	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28881	0.3
55.05504	1.8
58.06597	0.6
59.02694	0.5
63.67279	0.4
64.71510	0.4
67.02605	0.4
70.06577	0.5
70.20822	0.4
71.04977	0.6
72.08157	0.7
76.30087	0.4
82.06564	0.9
84.08148	0.5
86.09714	0.8
87.04453	0.7
87.95139	0.5
93.73405	0.4
94.82265	0.4
99.04472	1.0
100.07640	1.8
102.27735	0.4
113.78896	0.4
117.05484	5.4
124.07594	0.7
128.07065	0.5
137.05995	0.6
142.08641	100.0
156.06564	0.5
184.09740	2.5
202.10754	16.4
232.09735	0.5
258.13452	3.6
268.51077	0.5
284.96033	0.5
288.70969	0.5
299.63977	0.5
300.14453	1.8
318.06589	0.9
318.09634	2.6
318.15527	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35070	0.4
57.03403	0.5
58.30505	0.4
58.62033	0.5
61.02936	0.6
61.76941	0.4
65.51860	0.4
66.14145	0.4
69.03428	2.5
69.07062	0.6
71.04977	0.5
73.02956	0.5
81.03413	1.0
82.06508	0.4
85.02910	8.1
87.04479	1.0
93.07028	0.8
93.28291	0.4
95.08594	0.6
95.32312	0.4
96.04494	0.9
96.08117	1.0
97.02887	3.0
109.02883	0.8
110.06052	2.8
110.09666	2.0
111.08067	0.8
121.06505	2.5
126.09148	6.1
127.03944	1.0
138.09146	16.6
139.07532	1.0
145.04959	0.8
156.10201	100.0
164.07098	0.7
168.10188	1.9
180.10213	0.8
198.11205	0.5
209.76128	0.5
214.08961	0.5
318.15500	8.5
318.18954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	4.2
58.06594	1.0
60.04510	1.3
70.06586	3.3
71.08625	1.4
81.07063	0.9
88.07627	9.4
91.05513	0.9
102.09185	4.6
108.32890	0.7
131.15341	0.7
136.29677	0.7
137.40988	0.7
151.52415	0.7
190.93753	0.8
208.68259	0.7
212.23727	37.8
212.37636	0.7
213.07930	0.8
231.09116	1.0
250.98579	0.8
254.10748	0.8
256.26331	26.8
288.67264	0.8
300.29129	0.8
318.17688	4.9
318.24069	100.0
318.29898	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2424
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
55.05515	3.8
56.05040	1.9
58.06596	6.4
60.04528	7.6
67.05509	12.3
69.07063	3.7
72.08157	1.5
79.05490	10.5
80.05022	1.1
81.07068	11.3
82.06575	2.1
83.08627	0.9
85.06523	1.0
88.07648	1.1
91.05488	11.3
93.07058	14.6
94.06543	1.4
95.04972	1.3
95.08612	6.8
96.08121	1.9
98.09689	4.8
99.13702	0.8
105.07039	7.8
107.08601	6.0
108.08126	3.9
109.10153	1.2
110.09669	1.7
117.07014	5.4
119.08585	6.4
121.10162	2.2
122.09705	2.2
124.11258	2.1
129.06963	1.8
131.08574	5.3
133.10133	4.2
135.08005	1.4
135.11578	1.0
136.11293	1.3
143.08536	1.9
145.10103	3.4
147.11659	1.4
150.12798	2.0
152.14326	1.0
156.10237	1.1
159.11693	2.1
256.26447	1.2
264.19638	4.2
318.07602	7.8
318.24258	100.0
318.29626	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10808	0.6
54.02197	0.5
57.07069	4.5
70.06602	7.4
71.08630	1.8
75.49913	0.7
78.82473	0.7
82.77306	0.6
85.10229	0.7
88.07630	21.2
89.08697	0.6
90.39785	0.6
92.20988	0.8
102.09188	15.2
102.57446	0.8
126.04848	0.7
212.23755	1.4
256.26337	66.7
272.08258	0.7
300.29010	4.5
318.30026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07072	2.9
57.16846	0.6
63.01308	0.6
70.06589	7.0
71.08620	1.1
75.44492	0.6
78.80929	0.6
80.87310	0.6
85.10182	1.1
88.07627	21.3
102.09180	11.8
107.75359	0.7
122.25363	0.7
146.11790	0.8
170.51559	0.7
189.86179	0.7
202.20721	0.7
212.23738	1.0
245.48109	0.7
256.26318	62.8
300.28946	3.7
314.41058	0.7
318.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57331	0.7
51.59282	0.5
52.84598	0.6
56.36303	0.6
57.07070	4.9
61.71370	0.7
62.26038	0.6
62.79972	0.6
65.65611	0.7
70.06597	12.1
71.08631	1.7
72.71352	0.6
74.26049	0.7
76.56404	0.7
79.63232	0.7
84.18803	0.6
88.07121	1.3
88.07632	28.7
92.44856	0.7
102.09186	15.4
200.60358	0.8
213.30728	0.8
256.26334	85.2
300.28983	7.8
318.30017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82120	0.6
57.07094	5.8
58.95778	0.5
59.43774	0.6
70.06600	7.9
71.08623	3.7
83.94339	0.7
88.07113	1.3
88.07631	22.8
88.83774	0.7
92.73761	0.7
102.09190	15.6
145.78639	0.8
212.23672	0.9
256.26337	72.6
300.29004	4.8
318.30029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56633	2.6
52.61652	2.8
58.71974	3.2
71.42964	3.1
75.22313	3.5
143.07985	3.4
215.67151	3.5
319.07861	100.0
333.94620	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	6.1
66.87240	3.9
70.06570	5.1
75.73112	4.4
84.82478	5.4
86.09686	5.7
103.02421	7.3
112.79478	5.0
113.66938	5.1
117.04002	11.9
121.06532	36.4
122.06055	19.1
122.06885	8.0
135.05063	6.0
138.09171	9.6
139.08681	6.9
142.08646	10.9
143.08968	10.2
145.03467	24.8
147.01372	9.3
161.02997	7.1
164.07114	7.3
165.06541	6.6
173.03052	8.4
175.02792	8.2
182.09325	10.8
189.02417	32.3
199.00945	6.0
207.03500	31.8
217.03844	10.6
225.55461	4.9
231.03534	8.9
243.03481	31.9
259.03030	11.7
273.09061	6.8
284.06387	8.5
287.82800	5.4
319.04898	26.5
319.07938	100.0
319.16019	9.2
337.07803	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11742	5.5
73.53622	5.4
85.67642	5.2
90.34975	5.0
121.84298	4.9
125.02360	22.1
132.95851	7.5
134.85638	5.1
157.04977	23.3
158.97385	21.7
174.96892	6.6
213.36859	5.4
216.97809	11.0
234.98944	100.0
266.38538	5.5
289.03583	10.2
319.04608	30.1
319.07916	96.3
319.12949	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77259	3.7
59.01160	4.4
60.51760	3.9
61.57222	4.4
69.86839	4.5
83.61285	4.4
147.30186	4.1
176.49677	4.1
183.01259	5.2
199.02759	7.6
217.03857	6.4
319.07819	100.0
332.83524	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85851	5.3
72.24266	5.7
85.02893	11.0
125.02356	33.0
138.05486	7.4
157.01347	12.1
157.04939	43.3
178.59061	6.4
227.02222	12.7
273.02695	10.8
279.17349	5.7
319.07632	100.0
319.12900	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0787
Annotation	Brompheniramine
Peak:m/z	Relative Intensity
51.83865	3.2
55.27042	3.5
73.45184	3.7
86.03532	4.1
137.32167	4.7
150.15530	4.0
191.54745	4.1
279.18344	4.3
319.07889	100.0
331.08759	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36005	3.0
54.10152	3.1
59.39611	3.3
88.00132	3.4
133.53909	4.1
140.10710	82.5
164.97778	3.6
166.08652	5.9
177.90939	4.3
181.64937	4.1
191.88469	5.0
217.03833	7.4
234.98911	4.4
235.14478	4.5
301.12024	4.3
301.17203	4.0
301.49591	4.2
319.07837	100.0
319.13058	21.4
319.18576	22.5
337.08109	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.69312	1.1
55.05526	11.4
57.03439	1.8
58.06602	7.4
65.03950	1.7
67.05499	5.6
69.03435	31.1
69.39348	1.4
71.04986	1.9
80.86839	1.4
81.03429	19.5
83.04988	100.0
84.22109	1.2
85.02495	1.7
85.02917	23.8
87.04453	1.3
93.03416	5.5
93.72314	1.3
97.02903	9.8
99.04446	2.9
109.02888	10.3
111.04443	61.5
111.54599	1.3
121.02863	6.6
127.03944	12.9
139.03912	42.9
142.08649	1.7
145.04964	2.8
157.04947	20.4
255.08644	6.3
283.08075	1.6
301.09070	6.6
301.12219	1.6
316.44702	1.4
319.09976	15.3
319.13187	10.7
319.16446	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1023
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
52.79966	1.0
53.03957	2.0
55.05519	13.3
57.03441	1.2
61.02932	1.6
65.03950	1.4
67.05505	5.2
69.03439	34.7
71.04977	1.2
76.17677	1.1
81.03426	14.7
81.08212	1.2
83.04990	100.0
85.02912	29.5
86.09679	1.4
90.85261	1.3
93.03413	8.1
95.52457	1.2
97.02907	13.4
99.04470	2.9
99.58342	1.2
109.02864	9.8
111.03698	2.8
111.04450	56.5
121.02873	8.4
127.03925	13.9
139.03908	40.9
145.04968	2.4
155.06702	1.3
157.04973	19.9
229.10524	2.9
233.09108	1.5
255.08727	5.4
283.08115	5.8
301.09073	7.2
302.12698	1.5
319.09985	18.0
319.13290	6.1
319.16397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.0
59.00483	0.9
60.05659	0.8
64.39257	0.7
83.06094	0.8
87.05640	0.9
111.05560	4.3
113.07091	3.6
120.04478	1.1
131.06746	0.9
132.04462	7.6
140.08205	1.8
142.00809	0.8
143.60109	0.9
150.05533	3.3
187.08623	3.1
202.09711	1.1
230.09319	1.5
231.07651	20.5
233.13968	9.2
242.09100	1.1
257.10388	1.5
259.11868	28.2
267.38339	1.0
277.12955	86.8
284.11417	9.9
302.12473	45.6
319.15140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22060	1.1
53.26557	0.9
54.38130	1.1
62.45892	1.3
63.76221	0.9
65.39367	1.2
70.71421	1.0
95.06039	1.8
105.03439	1.2
111.05536	2.6
113.07160	1.8
117.29440	1.2
121.06479	1.5
127.07469	1.4
132.04480	7.0
137.31813	1.2
140.08185	2.4
187.08717	2.4
211.89288	1.3
231.07626	22.5
233.14006	11.3
234.12408	1.3
255.29039	1.2
259.11868	36.5
277.12946	100.0
284.11542	11.7
302.12448	56.0
318.44452	1.5
319.04944	1.8
319.15146	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.4
58.06602	0.7
60.05653	0.8
70.06609	0.8
84.65934	0.8
105.17657	0.8
111.05576	6.0
113.07114	1.4
120.04506	1.0
127.07346	1.1
132.04443	7.8
134.06070	2.7
140.08167	1.3
150.05521	1.3
151.06189	1.2
156.30840	0.9
176.07039	1.1
187.08640	4.4
198.27068	0.9
202.09732	1.3
230.09082	3.1
231.07652	20.3
233.09082	1.5
233.13997	9.8
242.09349	1.3
246.08368	1.2
254.86728	0.8
257.10339	1.1
259.11868	38.2
277.12943	100.0
284.11398	8.4
302.12473	49.6
319.15128	93.7
341.02957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36449	0.8
54.68541	0.8
60.05642	1.0
63.83695	0.9
83.06091	1.2
97.40488	1.0
109.18522	1.0
110.80262	0.9
111.05589	3.6
113.07098	2.2
132.04428	8.2
140.08192	1.6
150.05479	1.3
151.06177	1.3
187.08688	4.2
190.01257	1.0
202.09688	1.4
230.09167	4.6
231.07642	25.7
233.09242	1.9
233.13922	10.5
234.12285	1.4
251.56985	1.0
259.11871	35.6
277.12943	91.1
284.11353	14.1
302.12497	46.9
319.15112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22060	1.1
53.26557	0.9
54.38130	1.1
62.45892	1.3
63.76221	0.9
65.39367	1.2
70.71421	1.0
95.06039	1.8
105.03439	1.2
111.05536	2.6
113.07160	1.8
117.29440	1.2
121.06479	1.5
127.07469	1.4
132.04480	7.0
137.31813	1.2
140.08185	2.4
187.08717	2.4
211.89288	1.3
231.07626	22.5
233.14006	11.3
234.12408	1.3
255.29039	1.2
259.11868	36.5
277.12946	100.0
284.11542	11.7
302.12448	56.0
318.44452	1.5
319.04944	1.8
319.15146	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1903
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
55.01903	0.9
55.05519	2.0
57.07082	1.9
59.40338	0.8
59.62155	0.9
67.05491	2.2
68.26390	1.0
69.07070	7.5
79.05499	3.7
81.06672	0.9
81.07069	8.5
83.05002	8.0
88.07629	5.1
91.05480	1.9
93.07043	9.5
95.04975	2.1
95.08613	7.3
105.07037	6.8
107.08591	14.3
107.58601	0.9
109.06510	5.1
109.10165	2.1
111.04460	6.7
111.08207	1.1
117.07035	1.5
119.08571	17.5
121.06501	6.7
121.10157	7.6
121.24924	0.9
123.08050	2.4
123.11707	1.2
125.05986	5.8
131.08569	4.1
133.10141	5.8
135.08054	20.0
135.11684	3.4
137.05983	28.7
137.13313	1.7
143.08600	1.6
145.10115	2.4
147.11696	4.1
149.09605	4.7
149.13245	17.9
151.07529	2.0
152.82747	1.1
156.09377	1.2
157.10127	1.3
159.11697	23.3
161.09676	1.5
165.12767	2.2
171.11684	2.5
173.09612	1.3
175.11201	5.2
177.12749	47.2
181.23776	1.0
185.13249	1.6
199.11208	7.3
203.10635	5.5
211.11124	1.0
213.12737	1.5
213.24069	4.9
216.11504	1.0
217.12274	2.2
223.10947	1.2
227.10701	10.6
227.17912	1.9
231.10100	7.4
237.16534	1.3
241.12218	5.0
241.15764	1.1
245.11797	1.7
249.65535	1.1
250.13510	1.1
255.17355	7.0
257.26669	11.8
273.18652	6.9
283.16940	22.1
301.18002	100.0
301.21335	5.2
319.19073	37.0
319.22815	4.5
319.26712	2.5
319.30234	20.5
337.20389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2245
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
56.98029	4.3
59.91077	4.6
59.91377	3.5
60.04527	8.0
65.18269	4.7
70.89307	4.0
71.08640	5.1
78.77415	3.6
80.10477	3.7
81.07069	8.6
88.56489	4.6
91.14861	4.7
93.07028	4.9
100.95077	4.0
115.65963	4.4
153.64175	5.6
163.97562	4.4
182.04958	4.6
318.07599	9.1
319.08420	9.8
319.22397	100.0
319.30264	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
55.05511	16.3
57.03441	6.6
61.93894	2.9
67.05500	21.4
69.07066	19.1
79.05502	7.4
81.07056	31.5
83.08628	5.2
85.04330	3.2
91.05480	14.5
93.07064	27.5
95.04958	12.9
95.08602	21.3
97.06543	5.2
105.07020	25.6
107.08604	17.9
109.06519	8.0
109.10165	5.5
117.06984	5.2
119.08597	24.7
121.06474	6.1
121.10122	8.0
123.08045	5.5
131.08585	15.4
133.10127	23.4
135.08054	5.7
135.11665	4.0
137.09624	5.5
143.08498	4.9
145.10118	25.7
147.11665	24.1
149.09631	12.5
157.10132	7.8
159.11664	22.7
163.11154	6.2
169.10027	4.5
171.11597	6.8
173.13237	5.7
175.11157	4.7
185.13216	7.2
203.14293	3.5
259.20544	15.6
283.20523	7.5
301.21503	49.0
318.02722	3.5
318.07419	5.7
319.08362	5.6
319.18988	5.8
319.22595	100.0
319.30328	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2263
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
54.62988	2.1
55.05521	10.1
57.07106	2.4
59.04943	2.3
59.64675	2.1
63.13943	2.6
65.26033	2.3
66.09559	3.2
67.05500	14.5
69.03424	3.0
69.07064	11.4
70.86370	2.2
71.05003	2.8
79.05482	11.1
79.42047	2.0
81.07052	25.0
82.89773	2.2
83.04984	5.5
83.08601	5.2
84.47955	2.4
87.15553	2.3
90.59636	2.2
91.05476	11.1
92.21547	3.9
93.07035	26.4
95.08585	28.5
97.06553	3.6
105.07019	20.4
107.08596	26.4
109.06506	4.9
109.10149	28.0
111.08076	5.0
117.07007	5.1
117.08674	2.6
117.45868	2.6
119.08597	42.4
121.06505	17.9
121.10113	30.1
123.08073	4.0
123.11723	12.5
129.06990	6.2
131.08551	25.1
133.10121	62.8
135.08044	5.4
135.11696	15.8
137.09598	5.5
143.08562	14.0
145.10132	31.8
147.11690	14.5
149.09651	24.8
151.11200	5.0
157.10121	19.1
159.11671	19.5
161.09589	5.7
161.13210	5.5
163.11165	37.1
165.12714	3.5
169.10150	4.0
171.11662	15.4
173.13251	9.9
175.11201	4.0
175.14761	3.1
177.12756	2.7
183.11620	11.2
185.13278	20.1
187.11133	3.0
187.14816	4.3
189.12723	3.5
191.14268	5.9
197.13239	5.2
199.14818	12.4
201.12775	3.6
203.14343	3.1
209.13312	3.5
211.15002	3.2
213.16580	3.0
215.14301	4.2
217.15781	2.9
223.14807	4.2
225.16446	5.0
227.17862	12.0
229.15924	4.8
239.17944	3.0
241.15826	2.7
241.19559	3.6
243.17468	3.9
255.21094	14.2
265.19571	12.3
273.22101	5.1
283.20502	38.7
301.18115	4.0
301.21530	45.8
318.07632	3.8
319.08224	4.3
319.18860	20.5
319.22211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
55.05520	3.6
59.70920	2.0
66.41490	2.0
67.05505	4.3
69.07063	2.9
79.05483	11.6
81.07073	19.4
85.06554	2.3
91.05462	4.4
92.20885	1.9
93.07050	20.6
95.08588	21.3
97.82603	2.1
99.08112	2.2
103.37708	1.7
105.07045	15.5
106.66650	2.1
107.08602	18.0
109.06523	8.6
109.10142	8.4
117.07016	2.7
119.08583	18.1
121.06458	3.3
121.10138	10.8
123.08086	2.2
131.08568	8.8
133.06467	2.2
133.10147	14.7
135.08110	2.8
135.11667	11.0
143.08568	4.9
145.10126	10.8
147.08035	8.8
147.11685	12.8
149.09575	3.0
149.13185	3.0
155.98961	2.1
157.10077	7.6
158.37990	2.4
159.07976	8.3
159.11700	3.5
161.09598	4.1
161.13280	22.7
162.75365	2.0
163.11148	7.9
171.08022	2.4
171.11690	9.6
173.13176	9.4
175.11130	3.0
185.09590	3.6
185.13219	4.3
187.11108	3.1
189.12726	19.1
199.14803	3.0
201.12689	4.2
203.14275	2.2
215.14272	11.1
227.14203	15.8
241.15788	10.1
241.19507	3.1
244.78716	2.2
245.15230	3.9
271.20468	13.7
283.20508	20.2
301.21539	51.8
318.07407	8.1
319.08405	11.7
319.18933	7.7
319.22620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.05516	5.5
57.65574	2.5
65.23270	2.0
67.05512	14.9
69.03403	2.8
69.07059	6.0
71.04995	2.7
79.05499	11.4
81.07063	26.1
82.74747	2.1
83.04978	13.0
88.45097	3.1
91.05479	13.2
93.07050	28.9
95.04951	10.1
95.08597	30.1
97.06522	6.0
105.07050	30.1
107.08583	45.9
109.06505	3.0
109.10147	24.7
113.20190	2.6
117.07014	3.1
119.08581	36.9
121.06493	5.4
121.10105	26.3
123.08060	4.3
123.11691	12.0
125.09606	13.4
129.07043	3.2
131.08548	22.9
133.10132	25.4
135.07986	3.4
135.11719	13.4
137.09593	5.1
143.08556	16.6
145.10132	31.6
147.08011	3.2
147.11615	22.3
149.09656	19.3
155.08575	3.9
157.10112	17.0
159.11667	17.2
161.09644	10.1
161.13268	5.0
163.11118	8.3
167.10641	3.0
168.09236	2.9
169.10141	13.7
171.11681	16.0
173.13205	19.8
175.11177	3.4
175.14928	3.0
179.88246	2.4
181.10030	5.8
182.10965	3.0
183.11659	20.8
185.13245	18.9
187.14816	12.4
195.11734	5.6
197.13255	29.6
199.14806	33.3
201.16379	4.7
209.13274	21.0
211.14781	2.8
213.16360	4.4
221.19725	2.6
222.13988	2.9
223.14766	17.9
225.16400	11.3
227.14323	3.1
227.17865	2.9
237.16286	3.2
239.17924	3.6
253.19458	11.0
255.09169	3.1
255.21039	14.2
265.19513	31.8
271.20541	12.6
273.21985	4.0
283.20523	100.0
301.21582	38.1
302.08002	2.6
302.24933	2.9
318.07614	10.5
319.08386	10.0
319.15460	3.7
319.18896	11.5
319.22672	56.8
319.26712	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	1.1
62.12822	0.8
78.07205	0.7
92.20967	1.1
100.25992	0.8
117.16383	0.8
142.48154	0.7
162.10205	0.7
199.78282	0.9
212.57616	0.7
319.24402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93051	1.2
60.04513	2.4
63.96394	1.2
81.92358	1.3
95.08617	1.9
105.07036	1.6
111.08045	1.5
175.14853	5.9
205.72398	1.3
275.77994	1.4
301.21838	1.8
319.08090	12.5
319.24408	100.0
319.29813	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69252	0.5
53.24012	0.4
58.51288	0.5
59.79067	0.5
60.04525	1.0
65.38143	0.5
67.05497	0.5
67.93504	0.5
69.69499	0.5
110.50584	0.5
129.73764	0.5
318.07642	0.8
319.24359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45121	0.7
67.66402	0.7
83.09131	1.0
86.72807	0.9
107.55441	0.8
119.49887	0.8
119.65261	0.8
128.99565	1.0
191.51485	0.9
215.46628	1.0
318.07544	1.0
319.24405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.263
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
50.97424	1.1
53.06197	1.4
54.31216	1.2
54.95300	1.3
55.05515	3.1
57.07082	2.9
62.77586	1.7
67.05503	20.5
69.07076	11.7
79.05508	15.5
81.07069	26.9
83.04963	1.7
83.08611	5.7
85.06555	2.3
87.80845	1.4
91.05482	11.3
93.07037	30.3
95.08613	25.3
97.10145	2.3
105.07019	13.9
107.08607	18.1
109.10143	11.1
113.57732	1.7
114.70493	1.4
117.07001	3.0
119.08574	21.4
121.06546	1.8
121.10146	32.2
123.11660	2.4
129.07019	2.1
131.08586	7.1
133.10143	18.6
134.68549	1.7
135.08090	3.4
135.11702	12.5
137.13272	2.7
143.08554	2.8
145.10100	5.6
147.11667	15.3
149.09612	6.3
149.13272	8.0
157.10133	6.1
161.09644	6.9
161.13231	12.4
163.11125	2.1
163.14825	3.5
171.11702	9.8
175.11188	7.6
175.14827	6.2
177.16371	7.2
185.13268	3.4
186.82506	1.6
189.12741	3.3
191.18054	2.0
199.14865	1.9
203.14264	2.4
203.17944	3.3
221.15417	1.9
235.16904	7.9
245.22725	10.1
269.22620	10.0
287.23581	11.2
319.26321	100.0
319.30429	5.6
338.71054	1.5
343.22168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03394	2.3
51.60650	2.3
51.67372	2.0
52.23890	2.4
55.05500	3.4
57.07085	52.0
69.07056	3.5
71.08640	37.5
81.07065	5.1
85.10186	21.1
89.06030	100.0
97.11066	2.6
107.07093	3.0
133.08606	16.3
151.09663	44.6
319.30164	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00625	0.6
57.07067	3.9
57.91718	0.6
58.20842	0.7
68.17533	0.7
70.06597	6.6
71.06931	1.1
71.08620	2.7
73.51019	0.8
74.89783	0.7
74.90218	0.7
76.17290	0.7
77.71394	0.6
82.16737	0.7
82.37125	0.7
85.59872	0.7
88.07628	16.9
89.07960	4.3
102.09183	8.8
103.09496	1.8
106.98255	0.6
122.48317	0.7
122.83633	0.7
146.11830	0.8
146.54367	0.7
156.33571	0.7
163.21310	0.7
166.23845	0.7
166.71107	0.7
195.38506	0.7
216.39195	0.7
256.26358	10.1
257.26675	62.4
301.29349	3.0
319.30356	100.0
344.93237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38696	0.8
55.05515	1.3
56.05043	8.2
57.07073	5.6
60.04534	88.4
61.04868	11.2
67.05511	1.6
69.07075	2.1
71.08635	1.2
74.06040	3.6
79.05505	1.0
81.07063	2.1
82.86034	1.0
83.08607	1.7
84.08977	1.0
88.07659	0.9
92.81577	1.0
95.08603	1.9
96.08907	1.0
116.08863	0.9
133.70508	1.0
265.27213	2.1
271.28256	13.0
283.28253	14.6
301.29373	15.7
318.07309	1.3
319.30356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.1
58.07410	0.5
70.06593	7.3
71.06921	1.0
71.08626	2.1
74.82102	0.5
81.36161	0.5
88.07631	15.3
89.07958	5.3
101.72220	0.5
102.09181	9.0
103.09520	2.2
104.12072	0.4
137.49820	0.5
231.14720	0.6
256.26382	7.7
257.26675	61.4
270.54730	0.5
301.29175	3.8
304.87094	0.6
319.18735	4.8
319.30347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38696	0.8
55.05515	1.3
56.05043	8.2
57.07073	5.6
60.04534	88.4
61.04868	11.2
67.05511	1.6
69.07075	2.1
71.08635	1.2
74.06040	3.6
79.05505	1.0
81.07063	2.1
82.86034	1.0
83.08607	1.7
84.08977	1.0
88.07659	0.9
92.81577	1.0
95.08603	1.9
96.08907	1.0
116.08863	0.9
133.70508	1.0
265.27213	2.1
271.28256	13.0
283.28253	14.6
301.29373	15.7
318.07309	1.3
319.30356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38696	0.8
55.05515	1.3
56.05043	8.2
57.07073	5.6
60.04534	88.4
61.04868	11.2
67.05511	1.6
69.07075	2.1
71.08635	1.2
74.06040	3.6
79.05505	1.0
81.07063	2.1
82.86034	1.0
83.08607	1.7
84.08977	1.0
88.07659	0.9
92.81577	1.0
95.08603	1.9
96.08907	1.0
116.08863	0.9
133.70508	1.0
265.27213	2.1
271.28256	13.0
283.28253	14.6
301.29373	15.7
318.07309	1.3
319.30356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	2.7
61.75674	0.6
70.06598	5.6
71.06914	1.3
71.08623	0.8
71.13563	0.6
78.39603	0.7
88.07636	18.5
89.07940	5.4
92.21738	0.6
94.49683	0.7
102.09175	9.2
103.09525	4.3
110.57103	0.6
137.54993	0.8
140.45038	0.6
256.26294	7.9
257.26685	62.4
301.29388	5.0
319.18808	1.6
319.30350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38696	0.8
55.05515	1.3
56.05043	8.2
57.07073	5.6
60.04534	88.4
61.04868	11.2
67.05511	1.6
69.07075	2.1
71.08635	1.2
74.06040	3.6
79.05505	1.0
81.07063	2.1
82.86034	1.0
83.08607	1.7
84.08977	1.0
88.07659	0.9
92.81577	1.0
95.08603	1.9
96.08907	1.0
116.08863	0.9
133.70508	1.0
265.27213	2.1
271.28256	13.0
283.28253	14.6
301.29373	15.7
318.07309	1.3
319.30356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	2.7
61.75674	0.6
70.06598	5.6
71.06914	1.3
71.08623	0.8
71.13563	0.6
78.39603	0.7
88.07636	18.5
89.07940	5.4
92.21738	0.6
94.49683	0.7
102.09175	9.2
103.09525	4.3
110.57103	0.6
137.54993	0.8
140.45038	0.6
256.26294	7.9
257.26685	62.4
301.29388	5.0
319.18808	1.6
319.30350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.9383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67070	0.1
75.89176	0.1
89.33868	0.1
91.15843	0.1
105.45642	0.1
165.57899	0.1
203.07248	0.1
204.08008	0.1
219.06728	0.1
224.59976	0.1
232.07614	0.1
233.08189	0.2
234.09196	0.3
247.06378	0.1
249.07913	0.5
262.08578	1.3
263.09183	0.1
264.10168	0.8
277.07318	1.7
290.08081	2.3
291.08917	0.2
292.09653	13.0
294.07715	0.1
305.06781	0.4
318.07623	2.7
320.09161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35299	0.1
55.46416	0.1
57.57758	0.1
63.55307	0.1
65.56467	0.1
66.25112	0.1
69.87469	0.1
94.97734	0.1
107.82045	0.1
157.70329	0.1
178.17609	0.1
204.07982	0.2
206.65375	0.1
219.06741	0.2
234.09099	0.5
249.07907	0.4
262.08548	1.3
264.10236	0.5
277.07257	1.3
290.08057	2.1
292.09659	12.2
305.06674	0.2
309.52039	0.1
318.07599	2.3
320.09155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.939
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90418	0.1
70.94308	0.1
122.12708	0.1
144.76340	0.1
175.47861	0.1
204.08075	0.4
232.07510	0.1
234.09032	0.2
248.07048	0.1
249.07822	0.2
262.08578	1.4
263.09250	0.1
264.10168	0.8
277.07309	1.7
290.08078	2.3
291.08804	0.5
292.09665	12.7
305.06784	0.1
318.07660	2.7
320.09167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10952	4.2
53.49488	4.6
55.30317	4.1
64.64882	4.9
71.17850	5.2
98.97617	9.1
121.94672	5.7
152.00285	5.8
158.99649	7.5
245.06337	5.5
275.69360	5.5
277.23334	5.8
279.03629	5.4
320.03802	100.0
320.08154	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0552
Annotation	Cassameridine
Peak:m/z	Relative Intensity
52.08366	0.3
53.51537	0.3
56.27480	0.3
57.47101	0.3
73.34350	0.4
79.17595	0.4
92.21489	0.5
99.04425	0.4
121.06497	2.8
136.06186	12.6
161.43842	0.4
201.80949	0.4
211.59218	0.4
224.07126	1.9
262.04926	1.6
290.04544	0.8
292.06140	0.8
292.09555	0.7
302.17334	0.6
305.03217	8.6
320.05551	100.0
320.09048	8.3
320.17511	5.3
338.06531	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0552
Annotation	Cassameridine
Peak:m/z	Relative Intensity
72.13203	0.3
76.88789	0.3
79.23683	0.4
86.31080	0.3
98.91830	0.3
100.64559	0.3
127.36927	0.4
155.40222	0.3
170.24554	0.4
188.73438	0.4
231.34979	0.4
234.05495	0.5
236.07231	0.4
262.04932	2.0
262.08633	0.5
264.06525	0.8
264.10165	0.5
277.07260	0.9
283.19250	0.4
289.90341	0.4
290.04456	3.9
290.08133	1.5
292.06024	10.5
292.09650	9.7
305.06683	1.9
312.07584	0.4
318.03824	2.3
318.07593	2.5
320.05469	90.9
320.09164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39389	2.2
70.68364	2.2
72.08176	2.9
98.97593	3.9
115.71323	2.5
130.64717	2.6
142.71974	3.2
151.97084	2.3
207.01740	3.0
282.47058	2.8
320.04037	6.9
320.08279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39389	2.2
70.68364	2.2
72.08176	2.9
98.97593	3.9
115.71323	2.5
130.64717	2.6
142.71974	3.2
151.97084	2.3
207.01740	3.0
282.47058	2.8
320.04037	6.9
320.08279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0918
Annotation	Decarine
Peak:m/z	Relative Intensity
50.56481	0.2
51.63108	0.2
52.15502	0.2
61.34007	0.2
81.58716	0.2
93.02283	0.2
139.10432	0.3
234.09071	0.2
249.07907	0.3
262.08740	0.5
264.10226	0.4
277.07349	1.1
282.42682	0.2
290.08081	1.6
292.09680	10.4
318.07660	2.0
320.09171	100.0
320.25623	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0917
Annotation	Decarine
Peak:m/z	Relative Intensity
51.31379	0.1
58.28609	0.1
60.99372	0.1
64.38036	0.1
72.27852	0.1
100.17179	0.1
139.97618	0.1
183.67685	0.1
193.93317	0.1
202.06491	0.1
204.08029	0.1
233.08321	0.1
234.09149	0.2
248.07166	0.1
249.07779	0.2
262.08603	1.0
264.10110	0.6
273.87518	0.1
274.55316	0.1
277.07294	1.5
290.08096	2.0
291.08838	0.2
292.09650	11.5
305.06961	0.4
318.07642	2.4
320.09171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14401	0.1
71.28917	0.2
71.51724	0.2
79.17352	0.2
83.07334	0.2
90.01924	0.2
104.78194	0.2
121.88800	0.2
151.52820	0.2
166.89557	0.2
222.97505	0.2
262.08582	0.9
264.10242	0.3
277.07190	1.3
290.08026	1.6
292.09659	10.8
318.07642	1.8
320.09167	100.0
320.25305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26484	0.3
80.42881	0.3
85.27945	0.3
203.00385	0.3
255.69273	0.4
262.08438	0.4
264.10114	0.6
277.07376	0.5
290.08139	1.5
292.09686	10.3
318.07706	2.3
320.09189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0918
Annotation	Decarine
Peak:m/z	Relative Intensity
58.74329	0.2
85.51601	0.3
88.93019	0.3
94.53706	0.3
98.79294	0.3
120.89559	0.3
130.86829	0.3
139.85049	0.2
197.28525	0.3
249.08138	0.3
262.08548	0.5
264.10330	0.5
277.07428	0.3
290.08063	2.0
292.06522	0.5
292.09677	10.8
305.06589	0.5
318.07608	2.7
320.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04116	0.2
58.27959	0.3
62.69878	0.2
64.04169	0.2
64.36300	0.2
72.58246	0.2
79.43677	0.2
83.75889	0.2
97.34232	0.2
97.47854	0.2
101.71567	0.2
110.94416	0.3
159.25327	0.2
262.08545	0.3
264.10147	0.3
277.07321	1.1
290.08078	1.5
290.55008	0.3
291.07065	0.6
292.09653	8.6
298.07840	1.1
312.07510	1.1
318.07568	2.1
320.09167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0916
Annotation	Decarine
Peak:m/z	Relative Intensity
53.38779	0.2
55.36899	0.2
88.52670	0.3
92.20901	0.3
104.50139	0.3
104.51566	0.3
106.32678	0.3
138.00130	0.3
154.36725	0.3
163.70723	0.3
262.08667	0.5
264.10193	0.4
277.07227	1.6
290.08066	1.6
292.09637	10.7
318.07535	2.4
319.07986	0.5
320.09158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0914
Annotation	Decarine
Peak:m/z	Relative Intensity
53.83856	0.2
55.43493	0.3
60.51368	0.2
68.12881	0.2
94.35947	0.2
119.31823	0.3
173.01924	0.3
243.50613	0.3
262.08667	0.6
277.07236	0.5
290.08090	1.6
292.09637	10.8
293.94025	0.3
310.91934	0.3
318.07706	2.0
320.09177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0917
Annotation	Decarine
Peak:m/z	Relative Intensity
51.43638	0.3
55.85868	0.3
56.13488	0.3
57.15747	0.2
58.33051	0.3
61.89639	0.3
67.55381	0.3
71.45593	0.3
75.84608	0.3
84.15823	0.4
109.07558	0.3
128.45204	0.3
151.15150	0.3
153.02101	0.4
169.56427	0.4
206.95869	0.4
262.08847	0.5
277.07321	1.8
283.74396	0.4
290.08032	2.1
292.09692	10.1
303.23419	0.4
305.06915	1.6
318.07574	2.4
320.09177	100.0
320.25635	6.2
331.21268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49789	0.2
51.54073	0.2
67.42719	0.2
77.18724	0.2
84.39637	0.3
147.26334	0.3
262.08636	0.4
264.10242	0.3
273.64154	0.3
277.07220	0.6
290.08200	1.9
292.09641	11.7
318.07715	3.6
320.09164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0915
Annotation	Decarine
Peak:m/z	Relative Intensity
51.40623	0.3
59.06075	0.4
60.38145	0.4
61.23479	0.3
66.03503	0.4
67.71335	0.4
79.80164	0.4
104.48135	0.5
106.96970	0.4
262.08774	0.6
264.10242	0.6
277.07324	0.8
290.08075	1.7
292.09650	9.5
318.07590	5.6
320.09174	100.0
340.39136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64136	0.3
53.45855	0.4
55.95526	0.4
67.52872	0.4
86.96779	0.4
151.39970	0.5
174.28459	0.5
290.08063	0.9
291.67108	0.4
292.09695	8.3
311.11536	0.5
318.07523	6.5
320.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00385	0.2
53.02663	0.2
63.10608	0.2
67.05505	0.3
81.07022	0.2
99.65369	0.2
107.08612	0.2
118.15111	0.2
169.97971	0.2
262.08566	0.5
277.07397	1.2
279.23096	0.2
290.08139	1.2
291.09308	0.2
292.09650	10.2
318.07608	2.3
320.09164	100.0
320.25647	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52528	0.3
56.96544	0.8
67.05511	0.5
81.07025	0.8
93.07063	0.6
98.06060	0.7
98.97585	8.7
100.48643	0.5
102.91925	0.5
105.07040	0.7
107.08572	0.9
116.98615	7.5
119.08556	0.6
120.08109	0.9
121.06512	0.6
121.10162	0.7
134.99655	4.0
135.11678	0.5
138.69234	0.4
146.41960	0.4
163.11179	3.5
169.46951	0.5
218.25838	0.6
222.11855	0.4
255.09117	0.7
273.10092	0.9
277.07370	0.8
279.03598	0.4
279.08997	5.0
290.07935	1.0
291.08670	0.6
292.09619	9.3
297.10056	21.5
305.06799	0.6
315.11118	7.3
318.07660	4.1
320.09140	100.0
320.22501	2.9
324.02811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54892	1.3
56.45214	1.2
57.03444	1.5
61.02915	2.8
62.19589	1.3
69.03426	7.0
70.06602	2.8
71.07970	1.6
73.02906	1.9
76.50054	1.2
81.03423	6.5
85.02906	36.4
86.09724	5.7
87.04461	2.8
91.03957	1.9
91.80304	1.3
93.06884	1.6
97.02892	10.3
109.02876	91.5
112.07589	2.9
127.03923	10.8
128.23030	1.3
141.05464	100.0
145.04951	11.8
146.13898	1.3
180.08653	3.5
201.08755	3.5
207.44246	1.5
256.09662	15.3
267.08624	2.2
272.09186	6.8
284.09253	2.0
302.10291	8.0
320.08130	6.0
320.11542	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24419	1.0
56.05029	1.8
58.06597	1.6
60.04512	1.9
61.55190	1.0
70.06577	7.0
70.65441	1.2
72.04513	5.3
74.06081	2.8
84.08159	1.5
85.02895	1.3
86.06068	11.5
100.07645	1.3
102.05546	2.0
114.05524	70.5
118.05045	1.8
128.07080	7.5
140.07047	4.5
142.08636	9.3
144.06570	2.6
155.08156	2.2
157.09721	15.1
158.08147	1.2
161.09171	2.1
167.62030	1.3
169.09676	5.0
173.09251	2.7
184.10789	4.4
186.07619	9.4
186.12602	1.2
201.08698	100.0
212.10303	2.0
230.11273	1.9
245.11386	1.9
256.12894	3.0
274.13901	1.6
302.13446	67.7
302.96750	1.2
309.89145	1.2
320.09125	9.6
320.14487	44.2
320.62390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.149
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
55.63891	1.0
58.06585	5.4
67.06749	1.3
70.06596	1.2
79.05512	1.9
84.53059	1.2
87.04457	5.6
88.78472	1.3
91.05450	1.6
98.06030	1.7
99.04434	7.3
103.05466	12.0
105.06973	1.4
107.04945	4.6
109.02925	1.5
114.60081	1.5
121.06461	2.5
131.04922	11.2
144.08080	1.4
150.06317	1.3
151.03792	1.6
153.07880	2.1
154.08630	10.8
158.09676	1.4
163.03859	1.5
176.10681	18.7
178.05856	2.1
184.11169	2.9
204.10197	2.5
222.11230	2.4
228.10098	2.6
254.11719	1.6
256.13297	84.1
258.17197	1.7
274.14374	67.4
284.12698	2.8
292.05743	1.5
302.10648	1.4
302.13885	22.1
320.05289	4.1
320.08945	8.0
320.14856	100.0
320.18091	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74326	0.7
52.89521	0.7
57.17065	0.8
60.04529	1.5
70.06594	1.0
72.27396	0.7
72.28041	0.8
74.06059	3.7
86.09703	4.5
87.04455	0.9
91.21110	0.9
98.06050	1.7
99.04440	0.9
116.07095	12.7
118.06557	3.4
121.05255	5.1
121.06551	1.1
123.06826	1.6
124.07621	1.4
130.08688	1.5
132.10197	2.1
135.06799	5.5
136.07582	100.0
137.05977	68.5
143.08162	4.7
148.07571	14.4
149.05949	1.1
149.08374	3.3
150.09161	21.4
151.06300	2.1
153.05444	1.6
154.17497	0.9
159.09079	1.5
161.09251	3.8
166.02013	1.0
166.08621	25.1
167.09369	2.1
178.08537	1.3
189.08755	7.0
192.10118	7.7
233.14871	1.0
233.73441	1.0
241.10791	1.1
271.11966	7.5
272.12698	3.6
302.13870	1.8
302.17239	1.5
303.09384	1.1
320.08820	6.5
320.14954	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1854
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
54.26646	0.5
55.05517	3.5
67.05508	7.8
69.03432	1.8
69.07068	2.0
71.04993	2.4
71.08630	4.3
76.49674	0.4
79.05515	1.4
81.07066	1.9
83.04997	0.6
85.02907	5.8
85.69880	0.4
91.05489	5.5
92.62366	0.4
93.07044	5.1
95.04951	0.8
95.08006	0.9
95.08610	26.9
96.71474	0.4
99.04470	0.6
99.08095	2.4
101.06022	2.5
103.05464	3.2
103.62772	0.4
107.04973	2.6
107.08632	0.7
109.10158	14.7
111.08033	0.4
113.06013	2.2
117.07001	0.5
119.08575	7.6
120.08103	27.2
121.06484	2.2
127.11181	1.9
131.04951	2.8
133.10149	0.6
137.09618	7.6
143.07333	2.6
143.08806	0.5
144.08124	2.2
149.05957	0.9
155.07347	1.7
155.10669	40.3
156.08063	0.7
164.11748	0.5
166.08623	19.0
168.08110	2.3
170.99646	0.6
174.05548	0.7
196.13377	1.0
233.56902	0.6
246.12759	4.6
256.17078	0.6
264.10318	0.5
274.18137	0.6
277.07236	0.7
290.08310	0.7
291.06921	0.6
292.06479	0.8
292.09720	9.0
292.13312	2.1
297.07266	1.8
302.17657	2.0
304.07745	0.4
304.58380	0.6
305.06741	1.1
318.07571	3.5
320.05734	5.3
320.09189	100.0
320.12723	8.5
320.18558	5.3
320.22443	1.8
320.25696	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38651	1.5
56.29245	1.5
57.07080	2.3
69.07079	2.1
70.60886	1.5
79.05489	2.6
81.07059	10.2
91.48533	1.7
93.07054	2.0
95.08606	4.1
105.07014	2.5
109.10130	2.9
121.10121	6.5
131.08600	2.9
135.11655	2.3
137.09602	9.3
145.10124	2.3
200.06584	1.8
200.74095	1.7
240.74760	1.6
292.09702	8.4
303.23331	8.1
305.07028	2.4
318.07687	3.5
320.09180	100.0
320.25638	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40670	0.9
54.82344	0.7
55.15255	0.7
66.49149	0.7
124.02096	0.7
163.60382	0.8
165.40645	0.9
166.88263	0.9
169.64923	0.9
171.61029	0.8
182.84673	0.7
186.02316	0.8
194.90381	0.9
290.08020	1.5
292.09656	9.0
305.06833	1.7
312.07529	1.8
318.07547	1.7
320.09161	100.0
320.25595	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16693	0.6
54.66427	0.6
57.07065	0.5
63.52866	0.6
64.41305	0.6
72.98431	0.6
81.07050	1.3
87.70925	0.6
111.65961	0.7
113.70113	0.7
119.08594	1.0
168.17416	0.7
179.14391	1.1
211.15135	0.7
292.09738	3.1
303.23328	1.5
320.09158	28.5
320.25607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.05034	0.9
56.97458	0.9
58.06605	0.9
65.28791	1.0
67.05512	9.6
69.07060	2.5
70.06583	2.4
71.60155	0.9
71.91470	1.0
79.05482	8.0
81.07062	10.8
82.06569	5.2
84.08181	1.2
91.05479	4.9
93.07043	12.3
95.08620	9.2
96.08115	4.0
97.08903	1.2
97.10164	1.9
105.07031	5.2
107.08578	6.0
108.08121	5.5
109.10155	5.0
113.96063	1.0
119.08555	5.9
121.10128	4.1
122.09663	6.2
131.08577	1.4
133.10124	2.6
135.11679	2.5
136.11226	1.6
137.11967	1.7
147.11626	1.2
168.11710	1.1
196.79898	1.0
277.21649	1.3
292.09647	1.2
314.22055	1.1
320.09177	29.6
320.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06095	47.6
65.91856	0.9
67.05492	3.9
69.07045	1.5
76.81680	0.8
79.05491	5.7
81.07067	7.2
91.05474	4.0
93.07041	9.1
95.08602	4.2
105.07020	5.6
107.08595	8.8
109.10132	1.7
119.08563	5.8
121.10171	7.7
123.08114	1.0
131.08548	1.1
133.10147	8.0
135.11743	6.1
143.83253	0.9
145.10141	1.8
147.11694	5.2
149.13278	5.2
159.11723	1.2
161.13251	6.9
163.14819	1.8
165.12715	3.7
171.11734	1.4
173.13272	1.1
175.14816	6.5
241.19504	5.1
259.20633	8.6
292.06183	3.1
292.09634	8.6
318.07541	4.6
320.09152	100.0
320.25824	60.1
320.29587	1.9
344.66031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
62.06095	28.8
62.77372	0.4
67.05502	3.5
67.44876	0.4
69.07062	1.1
71.08621	0.7
71.41905	0.5
79.05495	2.8
81.07068	4.6
91.05478	0.9
93.07025	4.0
95.08605	4.1
97.06506	0.6
105.07026	2.6
105.34227	0.5
107.08595	5.2
109.06526	0.7
109.10143	1.1
119.08595	5.0
121.10137	4.3
123.11759	0.6
131.08580	1.9
133.10130	4.0
135.11649	3.4
145.10123	1.1
147.11707	4.7
149.09599	0.7
149.13278	3.0
150.09111	0.6
157.10052	0.5
159.11703	0.6
161.13248	3.7
163.14844	1.0
165.12723	1.2
171.11676	0.9
173.13269	0.7
175.14819	4.0
185.13167	0.6
207.99284	0.5
241.19533	1.1
249.08101	0.5
259.20587	2.9
277.07745	0.7
290.08142	0.8
292.09659	9.8
302.17624	0.8
302.24890	0.7
303.23166	3.1
305.06876	0.7
318.07608	3.3
320.09152	100.0
320.22375	1.7
320.25787	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66594	0.3
59.37562	0.4
62.06094	24.7
62.66774	0.4
67.05498	1.0
69.07058	1.1
79.05496	0.9
81.07048	1.1
87.13042	0.5
91.05479	2.0
93.07041	3.1
95.08580	3.9
102.61765	0.4
105.07025	4.3
107.06168	0.5
107.08575	2.2
108.50965	0.5
109.10154	0.9
112.04019	0.5
117.03518	0.4
117.07026	0.5
119.08567	2.2
119.10037	0.5
120.20857	0.5
121.10180	0.8
131.08574	0.9
133.10117	4.8
134.04941	0.4
135.07936	0.5
135.11697	2.8
136.52925	0.4
140.06995	0.8
145.10118	1.7
147.11705	2.3
149.13257	2.1
157.10165	0.6
159.11618	1.6
161.13226	2.2
163.14777	0.8
165.12737	2.5
169.10069	0.4
171.11624	0.6
173.13202	1.8
175.14825	1.8
199.14767	0.9
217.19591	0.6
241.19504	1.9
259.20578	1.0
264.10309	0.4
277.07156	0.6
290.08261	0.9
292.09650	11.4
302.24960	1.6
303.23123	2.9
318.07568	4.0
320.09167	100.0
320.25851	25.9
320.29617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24561	0.1
64.53522	0.2
83.18412	0.2
118.33405	0.2
121.43964	0.2
141.09131	0.2
177.05481	0.2
221.53502	0.2
252.06667	0.3
257.13455	0.3
263.08206	0.7
275.14703	0.7
291.07645	0.7
293.09229	1.2
294.07626	1.2
306.06332	3.2
320.08896	0.2
321.08688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
79.46633	0.1
82.24321	0.1
83.41688	0.1
109.08133	0.1
116.11612	0.1
121.06484	0.2
123.08132	0.1
134.12248	0.1
141.09042	0.2
263.08206	0.7
277.09692	0.2
278.06754	0.3
291.07700	0.7
293.06116	0.2
293.09091	1.7
294.07584	1.1
303.17007	0.1
304.32477	0.1
306.06357	2.9
321.08701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58378	0.1
55.19562	0.1
64.76403	0.1
84.08173	0.1
110.07156	0.2
133.84802	0.1
138.66298	0.1
164.92494	0.1
252.06625	0.2
263.08185	0.6
265.09851	0.2
266.08240	0.1
277.09528	0.1
278.06891	0.2
291.07510	0.8
293.09213	2.3
294.07526	1.3
306.06378	3.2
320.08682	0.1
321.08694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64791	0.3
73.16183	0.3
107.60332	0.4
125.02363	0.3
127.24451	0.3
159.42276	0.3
160.31931	0.4
233.89970	0.4
265.09750	0.5
267.11337	0.4
272.70197	0.3
275.13736	0.4
278.06866	0.8
285.12167	0.5
293.09195	68.7
303.13269	0.7
311.29977	0.4
320.09128	1.3
321.08691	100.0
321.14746	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24561	0.1
64.53522	0.2
83.18412	0.2
118.33405	0.2
121.43964	0.2
141.09131	0.2
177.05481	0.2
221.53502	0.2
252.06667	0.3
257.13455	0.3
263.08206	0.7
275.14703	0.7
291.07645	0.7
293.09229	1.2
294.07626	1.2
306.06332	3.2
320.08896	0.2
321.08688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58378	0.1
55.19562	0.1
64.76403	0.1
84.08173	0.1
110.07156	0.2
133.84802	0.1
138.66298	0.1
164.92494	0.1
252.06625	0.2
263.08185	0.6
265.09851	0.2
266.08240	0.1
277.09528	0.1
278.06891	0.2
291.07510	0.8
293.09213	2.3
294.07526	1.3
306.06378	3.2
320.08682	0.1
321.08694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43212	2.7
57.55736	3.2
74.55856	3.0
89.76564	2.9
93.67448	2.8
109.00668	3.0
112.19178	3.3
121.06480	4.9
264.76785	3.9
301.78345	3.3
321.09573	100.0
321.13864	4.2
321.14642	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	3.2
60.99608	2.0
70.55433	2.6
99.15585	2.4
105.02202	11.6
117.03958	3.6
119.03773	17.7
123.03246	3.1
133.01656	11.8
136.70634	2.8
137.04770	18.1
141.06564	2.9
143.01855	2.8
144.98087	6.5
145.03445	3.4
147.03214	26.9
149.01134	19.0
155.01875	2.5
157.03479	4.7
159.03180	13.5
161.02956	4.5
162.49188	2.9
162.99208	3.8
163.02693	14.6
165.04297	5.0
168.68472	2.6
173.01259	4.0
173.02995	5.7
174.22385	2.6
175.02673	19.5
177.04306	3.2
185.01183	8.9
189.02473	11.1
190.02536	3.0
191.02150	57.8
201.00705	4.1
201.02478	15.9
203.02223	16.7
205.00220	6.0
207.03418	3.9
209.03256	41.5
217.03873	14.8
219.01672	9.9
219.03494	20.4
223.01221	13.3
231.03604	5.2
233.03345	14.6
235.04822	3.8
245.03197	44.6
247.01108	3.8
251.01892	2.8
261.02573	27.2
289.02130	5.9
303.00269	4.9
303.06723	3.0
321.05087	66.5
321.09479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0944
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
50.21647	0.2
57.87670	0.2
68.44788	0.3
79.42976	0.2
88.09597	0.2
91.72792	0.2
263.08917	1.0
265.10440	0.6
278.07562	1.8
284.61398	0.3
291.08478	2.4
292.09653	0.5
293.09985	12.1
306.07269	0.3
319.07861	2.9
321.09494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60683	0.3
75.90955	0.2
141.28561	0.3
204.08011	0.3
227.51083	0.3
235.09517	0.3
263.08951	1.1
265.10443	0.6
278.07614	1.7
291.08478	2.2
291.69440	0.3
292.09528	1.2
293.09995	11.5
293.13168	0.6
319.07880	2.0
321.09482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.51345	0.3
66.85995	0.3
77.45995	0.2
81.83704	0.3
88.96920	0.3
119.48397	0.3
121.82417	0.3
160.24295	0.3
163.93570	0.3
171.24672	0.2
205.11789	0.3
263.08884	1.4
265.10284	0.4
278.07700	1.4
291.08377	1.9
292.09467	1.1
293.09982	10.8
303.51871	0.3
319.07767	2.5
321.09470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52470	0.9
109.10143	1.8
275.09326	7.5
278.08066	5.9
286.18271	1.2
291.08926	1.4
292.09680	73.0
293.09842	1.6
304.09650	19.3
306.07660	7.0
307.08167	1.3
313.08304	2.6
318.07559	4.3
319.07916	4.4
320.09183	97.9
321.09811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20374	0.5
79.07939	0.5
81.03414	0.8
81.07075	0.9
105.31765	0.6
121.10152	0.8
137.09674	0.6
177.05499	1.0
192.65240	0.6
201.16223	0.6
263.09210	0.7
275.09390	3.8
278.08112	8.2
291.08887	2.6
292.09644	66.5
293.10016	0.7
304.06296	1.2
304.09671	20.0
306.07498	8.7
307.08499	1.2
318.04337	0.8
318.07501	5.9
319.07956	2.6
320.09149	90.5
321.09833	100.0
321.24271	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11164	0.9
66.63508	0.7
81.91979	0.8
91.45221	0.8
112.84956	0.8
148.61972	0.8
151.20786	0.9
165.42451	0.9
204.55031	1.0
230.63074	0.8
275.09387	5.4
278.08163	7.5
291.08954	1.5
292.09659	61.5
293.10040	1.9
304.09668	17.8
306.07590	9.1
307.08310	1.2
318.07553	4.2
319.07971	5.2
320.06036	1.6
320.09152	83.9
321.09821	100.0
333.51483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38583	0.8
60.99830	0.9
63.30102	0.8
66.22586	0.7
83.39278	1.0
121.26942	1.0
139.52538	1.1
144.95485	1.0
156.72955	0.9
275.09412	5.8
278.08096	8.7
291.09006	4.5
292.09689	68.3
297.40454	0.9
304.09714	22.5
306.07477	8.0
307.08463	1.8
318.07608	5.3
319.07962	1.5
320.09189	95.1
321.09888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1
Annotation	Isocoptisine
Peak:m/z	Relative Intensity
60.11616	0.9
71.23052	1.0
75.73158	1.0
79.78175	1.2
81.07060	1.4
102.65128	1.0
105.06964	1.5
132.33035	1.1
137.09592	1.3
145.10049	1.3
153.02258	1.2
158.96741	1.1
165.09032	1.3
190.07718	1.1
201.86403	1.2
275.09360	7.7
278.08105	7.0
291.08731	2.2
292.09671	67.8
304.09634	22.4
306.07574	6.6
307.08173	1.3
318.07526	5.1
320.09164	100.0
321.09808	99.3
321.20471	1.8
321.24124	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47615	1.6
54.08182	1.5
55.05518	1.8
64.45742	1.7
70.06602	1.9
84.08166	2.0
84.86617	1.6
90.18591	1.8
108.34053	1.7
118.06535	9.0
121.06532	3.0
126.04861	1.8
126.05536	29.5
132.08073	50.9
132.08969	3.1
134.08162	3.3
141.09134	8.1
144.08090	47.9
146.06004	83.5
159.10138	2.3
164.07062	2.8
171.03416	2.2
171.09155	8.0
172.06046	34.0
188.07059	96.2
190.07045	14.0
217.09683	3.5
257.12823	7.3
275.13959	8.4
285.12436	2.6
299.14493	1.8
303.13419	7.2
321.11078	6.6
321.14465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.154
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.05519	27.7
58.03114	1.2
59.90921	1.2
67.05482	1.9
68.10111	1.1
69.07070	14.8
76.52093	1.3
79.25117	1.4
81.03422	1.9
83.04977	14.5
85.02888	1.6
88.09253	1.6
95.04920	1.4
95.08604	39.3
97.06559	1.9
97.10161	16.0
99.04453	8.7
106.34665	1.5
113.09660	17.2
118.06552	3.1
121.06493	7.7
122.06890	1.3
123.08031	3.5
126.05525	10.9
127.36018	1.3
132.08080	26.0
134.08156	2.0
134.24963	1.3
134.33083	1.3
141.09102	100.0
144.08087	20.9
146.06007	39.9
147.04399	14.5
158.21432	1.4
159.10150	22.0
160.07629	1.5
160.86206	1.4
172.06075	16.9
177.05476	2.8
188.07076	39.1
190.07097	7.0
217.09729	1.7
253.63879	1.4
257.13544	9.6
265.50446	1.7
275.14474	9.1
277.09738	7.1
303.13403	4.9
306.09891	1.8
321.09808	8.2
321.14566	52.0
321.18295	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50022	0.4
64.75114	0.5
65.30688	0.5
72.08145	3.4
75.09270	0.5
86.74507	0.6
89.10822	0.6
97.61493	0.5
105.98814	0.5
114.10276	3.3
115.08673	0.5
117.03355	1.0
128.11813	11.1
129.10254	2.4
137.94920	0.6
145.02846	17.2
145.14442	0.6
177.05452	100.0
190.08699	0.8
247.14378	4.9
248.12755	7.5
260.76511	0.5
265.15488	2.4
304.16547	2.0
321.19183	43.3
327.62906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82221	0.5
55.34671	0.5
64.94910	0.6
65.42365	0.6
72.08165	6.5
74.07233	2.0
75.54020	0.6
79.35537	0.5
89.03869	0.7
89.10785	2.5
100.75144	0.6
114.10285	3.7
117.03397	0.7
124.50682	0.6
128.11830	16.4
129.10225	0.6
131.24454	0.5
145.02855	21.8
145.14481	2.3
177.05466	100.0
190.08655	0.6
247.14465	3.2
248.12767	5.0
290.14832	0.8
304.16541	2.5
321.19199	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
55.05524	4.8
57.03435	3.8
57.07072	1.0
63.77509	0.6
67.05521	5.4
69.07066	5.1
71.08621	0.8
71.51154	0.6
75.07468	0.7
79.05495	2.7
81.07069	8.0
82.00238	0.7
83.04544	1.0
83.04988	19.3
83.08623	4.0
91.05491	3.1
92.32377	0.7
93.07045	5.8
95.08600	7.0
97.10149	1.1
98.98566	0.6
105.07020	3.7
107.04942	1.6
107.08595	5.7
109.02876	1.0
109.06512	1.1
109.10162	4.9
111.04445	23.1
113.51405	0.7
117.07009	1.1
119.08565	3.7
121.06533	0.7
121.10123	3.4
123.11685	1.3
125.09640	1.0
131.08583	3.1
133.10124	2.9
135.08098	2.4
135.11685	1.5
137.09647	0.7
145.06468	0.8
145.10109	2.9
147.08031	2.4
147.11661	3.1
149.13257	1.6
159.07996	0.9
159.11679	1.4
161.09627	1.4
161.13190	1.1
165.16338	0.7
177.12762	1.3
189.12730	0.8
205.15877	1.0
215.14203	0.9
233.15320	1.6
243.17340	1.0
245.22536	1.1
253.15811	1.0
260.82642	0.7
261.18494	3.7
263.23785	2.9
271.16925	3.8
280.26328	9.0
289.17908	10.6
292.09656	0.9
293.10022	9.9
298.07941	1.0
303.19528	6.9
303.23163	2.9
313.08551	1.3
319.07715	0.9
320.09143	3.4
321.09494	100.0
321.26337	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05519	20.8
57.03431	7.9
57.07072	7.5
59.04033	1.2
60.56673	1.6
61.44081	1.1
67.05509	30.4
69.03421	3.4
69.06747	1.9
69.07072	31.1
71.05000	3.1
71.08640	2.6
73.06546	2.2
74.82983	1.6
79.05501	26.3
81.06615	2.4
81.07061	47.8
83.05018	5.1
83.08620	20.6
84.96024	3.5
85.02859	1.2
85.06538	1.9
85.10178	1.9
87.43031	1.3
91.04958	1.9
91.05491	24.3
93.07042	32.2
95.04953	6.9
95.08606	40.7
97.02894	2.0
97.06519	6.1
97.10175	16.6
99.08165	1.3
100.07644	1.6
105.07048	26.7
107.08604	24.4
109.06527	10.6
109.10174	22.7
111.08085	8.2
111.11675	2.3
114.09196	1.7
115.05444	1.4
117.07001	9.1
119.08573	30.9
121.06477	2.2
121.10155	21.7
123.08057	6.2
123.11685	8.8
125.09609	9.6
129.07004	3.3
131.08562	9.4
133.10130	21.9
135.08035	5.5
135.11708	12.0
137.09615	3.2
137.13220	1.5
143.08548	6.5
145.10130	9.4
147.08063	3.2
147.11676	11.7
149.09618	2.1
149.13274	7.0
151.11165	6.7
157.10109	2.9
159.08055	12.0
159.11670	7.7
161.09641	6.2
161.13249	8.8
163.07574	1.7
163.11194	2.4
163.14790	3.3
165.12662	2.3
171.11693	5.7
173.09616	3.0
173.13249	5.5
175.14854	2.7
185.13245	2.0
187.14818	2.9
189.00647	1.9
189.16383	2.0
199.14764	2.0
240.12039	1.7
241.19608	2.1
245.22647	8.8
253.15872	2.3
259.20535	3.0
263.23672	14.8
271.16812	10.0
277.21460	1.6
278.08188	3.2
280.26321	46.5
289.17899	7.7
292.09680	39.8
293.09821	2.5
303.19473	8.0
303.22998	2.9
304.09805	11.8
306.07632	3.5
307.08179	1.6
320.09180	59.1
321.09766	100.0
321.20584	58.9
321.25720	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2057
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03939	1.5
54.94594	1.2
55.01903	1.3
55.05518	14.7
57.07079	3.8
57.61898	1.6
67.05506	29.8
68.70757	1.6
69.03415	1.4
69.07075	18.4
71.04979	8.2
77.39991	1.2
79.05494	29.5
81.06607	3.1
81.07056	37.5
82.07368	1.8
83.04980	2.0
83.08630	11.6
91.05481	22.1
93.07034	33.8
95.04956	8.4
95.08598	32.3
97.06504	6.5
97.10162	6.3
105.07034	27.7
107.04965	1.8
107.08599	29.6
109.06506	7.4
109.10138	13.9
111.08064	3.7
117.06992	6.3
119.08577	22.3
121.10149	19.6
123.08087	3.2
123.11721	3.1
125.05972	3.3
125.09638	3.1
129.07014	2.4
131.08612	12.3
133.10121	30.4
135.11723	15.1
137.09607	2.5
139.11115	1.7
143.08543	6.2
145.10181	11.9
147.11684	22.5
149.09570	2.4
149.13281	7.3
157.10077	3.6
159.11696	9.4
161.09619	1.9
161.13257	7.9
163.11070	2.1
163.14864	2.5
171.11671	6.5
173.13245	9.2
175.14803	2.8
177.12704	3.7
179.14314	2.6
180.14627	2.4
185.13246	3.1
190.17416	1.6
192.55385	1.6
217.15933	2.7
241.19511	13.4
252.01350	1.8
259.20493	3.8
263.23663	3.5
275.19995	1.7
277.21555	3.2
280.26382	11.6
292.09702	24.2
303.19574	11.9
303.22852	2.5
304.09650	6.4
304.23383	7.0
307.07993	1.8
319.08130	1.9
320.09152	33.0
321.09604	100.0
321.16949	2.8
321.20660	63.8
321.24338	12.6
321.26489	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2056
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03943	5.9
55.05512	7.3
57.03432	2.2
60.77212	1.0
62.06083	9.6
63.06422	1.4
67.05499	16.4
69.07067	5.1
71.04978	2.4
74.61510	1.1
79.05492	18.3
81.03416	15.3
81.07058	38.2
83.05010	1.1
83.08599	7.0
85.06519	1.8
91.05470	7.8
93.07037	29.8
95.04979	4.2
95.08602	48.9
97.06533	6.1
99.04449	100.0
105.07027	14.0
107.04958	1.1
107.08585	35.2
109.06526	2.0
109.10152	22.3
111.08060	1.8
117.06998	5.2
119.08562	11.5
121.10131	25.3
123.08088	1.6
123.11702	5.5
131.08588	12.5
133.10059	11.4
135.08081	4.1
135.11700	6.6
137.09563	2.7
145.10109	15.2
147.11665	2.8
149.09616	4.8
151.11223	1.8
159.11722	7.8
161.09540	2.5
161.13254	2.4
163.11130	1.7
163.14812	5.6
171.13782	1.6
177.12657	1.5
177.16380	2.3
185.13200	1.6
187.14790	33.2
205.15865	26.2
205.17616	1.6
223.16904	21.1
255.20950	1.5
257.04761	1.1
273.22162	8.0
273.49506	1.3
275.09357	1.5
275.20050	1.4
278.07870	1.6
280.26028	1.3
285.22137	2.8
289.18045	1.2
292.09729	15.2
293.10049	5.0
303.15942	1.8
303.19717	2.1
303.23215	6.2
304.09564	4.9
304.23608	1.5
306.07385	1.8
320.09134	26.6
321.09564	82.4
321.17191	2.3
321.20490	6.6
321.24283	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89334	1.4
55.01881	2.0
55.05267	2.4
55.05516	25.3
57.03438	7.1
57.07074	11.3
60.94966	1.7
64.67032	1.6
67.05506	52.4
69.07073	41.2
71.04985	3.9
71.08643	2.1
78.61429	1.7
79.05487	38.7
81.07055	76.2
83.08616	37.1
84.08179	2.0
85.06557	1.6
86.06062	2.4
91.05473	37.4
93.07037	52.4
95.04951	2.5
95.07992	3.0
95.08599	80.9
97.06522	9.2
97.10171	19.7
99.08093	2.9
100.07622	3.5
102.10103	1.6
105.07030	38.8
107.08585	45.1
109.06499	2.3
109.10154	32.8
110.97926	1.9
111.08051	7.1
111.11722	3.0
113.09656	1.7
114.09159	6.9
117.06990	12.6
119.08574	36.1
121.10123	33.8
123.08080	2.8
123.11671	18.3
125.09625	7.7
129.06967	4.1
131.08537	17.4
133.10126	36.3
135.11662	24.2
136.94545	2.0
137.13263	3.0
139.11224	7.7
143.08575	2.3
145.10077	13.1
147.11681	24.8
149.13261	14.0
151.11182	2.8
151.14775	3.1
157.10165	2.6
159.11684	14.0
161.13243	17.1
163.11232	1.6
163.14790	8.0
171.11658	7.0
173.13185	16.5
175.11269	1.7
175.14816	9.0
177.12817	2.3
177.16393	2.0
179.17935	1.6
185.13287	8.1
187.14725	2.8
189.16356	2.2
199.14783	6.2
241.19505	12.9
245.22554	15.6
259.20560	10.9
263.23630	33.4
277.21646	3.3
280.26306	100.0
284.41602	1.9
292.09607	20.3
293.09726	2.2
303.19568	13.3
303.22702	2.4
304.01306	1.8
304.09659	3.3
320.09216	27.8
321.09601	65.5
321.20587	81.0
321.25818	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2419
Annotation	20-HETE
Peak:m/z	Relative Intensity
50.85448	0.5
55.05528	4.2
57.07072	0.8
66.39272	0.4
67.05510	3.0
69.07071	1.4
71.08648	3.9
76.01257	0.5
79.05485	2.9
81.07057	4.8
81.56462	0.5
83.08621	2.7
88.07619	2.4
89.07986	0.8
91.05471	1.1
93.07058	3.8
95.04948	0.8
95.08619	4.6
97.10146	3.5
99.08081	0.9
102.09155	0.9
105.07001	3.0
107.08585	3.1
109.06517	5.2
109.10163	1.9
111.08032	0.6
117.07066	0.9
119.08549	3.4
120.34538	0.5
121.06462	0.7
121.10191	0.8
123.08080	1.2
125.09663	0.7
131.08568	0.9
133.10112	1.3
135.08006	1.1
135.11658	0.6
140.88527	0.5
145.10081	1.3
145.93944	0.6
147.07967	0.6
147.11662	1.0
149.09583	1.0
149.13243	0.9
159.11743	0.6
163.14848	0.8
165.12747	4.7
177.12836	1.2
198.31953	0.6
205.15936	0.8
234.59177	0.7
237.14871	3.0
243.21098	0.9
257.26566	4.9
258.26978	2.8
259.27237	8.8
261.22171	4.3
263.08997	0.7
278.07794	0.9
289.08527	0.6
291.08615	0.7
292.09839	1.2
293.10004	9.2
303.23044	6.1
306.07465	1.2
313.08270	2.6
319.07944	2.4
320.09192	4.6
321.09503	100.0
321.24216	30.3
321.30780	20.4
321.60068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	20-HETE
Peak:m/z	Relative Intensity
54.21264	0.8
55.05511	1.6
56.61213	0.7
57.07051	1.0
67.05495	4.6
67.13683	0.7
69.07053	4.1
69.30630	0.6
74.50169	0.7
79.05501	1.1
81.07068	7.8
83.04950	0.8
83.08588	3.9
91.05445	1.5
92.21452	1.0
93.07037	7.4
95.04967	1.4
95.08611	13.5
97.06503	3.5
97.10148	2.1
105.06988	4.6
107.08611	6.1
109.06529	1.1
109.10164	10.6
111.08080	1.2
111.11710	1.2
119.08593	7.3
121.06484	3.1
121.10139	6.4
123.08053	3.6
123.10829	0.9
123.11707	24.2
133.10136	7.2
135.08023	3.9
135.11644	4.3
137.09601	5.6
137.13240	1.3
138.19923	1.0
145.10146	1.4
147.08018	3.7
147.11673	3.5
149.09557	1.4
149.13220	3.4
156.62170	0.7
159.11674	3.3
161.09647	1.6
161.13202	4.2
163.07686	1.0
163.14789	5.4
165.09134	1.4
165.12718	0.8
169.10040	0.9
171.11696	1.1
173.13234	1.5
175.14799	4.6
185.13174	1.0
187.14810	1.8
189.12836	1.1
191.14314	0.8
193.15819	0.9
197.13179	0.8
199.14798	0.8
203.14236	1.5
211.14725	1.2
215.17862	1.1
229.19580	0.8
233.18948	3.3
243.21043	7.5
245.22862	1.0
255.20934	1.4
259.20517	4.1
261.22168	10.2
263.23615	1.4
267.20969	4.7
273.22009	8.7
278.07813	1.0
280.26273	4.9
284.39972	1.0
285.22168	12.1
291.23270	3.2
292.09644	7.3
303.23175	14.2
306.07098	1.0
320.09167	10.7
321.09717	21.0
321.24152	100.0
337.74451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.8
67.05502	15.5
67.36633	2.8
69.07072	5.1
74.27173	3.2
79.05486	6.5
81.07065	35.9
83.04979	4.0
83.08662	5.0
91.05483	6.4
93.07036	36.5
95.08613	45.8
97.06525	4.0
105.07053	27.5
107.08617	42.3
109.06501	3.4
109.10164	32.3
111.08083	4.6
116.69099	3.6
117.07012	6.0
119.08595	26.5
121.10132	16.0
123.11705	6.6
125.09638	5.8
131.08511	24.2
133.10121	20.5
135.11693	6.7
143.08618	6.9
145.10112	26.9
147.11687	14.8
149.13257	5.0
155.08595	4.9
157.10112	15.9
159.11714	7.0
161.13235	22.0
165.09129	5.8
169.10167	14.9
171.11711	14.2
173.13258	15.2
175.14795	22.0
183.11702	7.7
185.13272	5.5
187.14848	6.3
197.13319	4.5
199.14815	15.2
201.16412	6.7
211.14772	21.8
215.17810	4.1
225.16412	8.5
229.15784	4.5
257.04861	5.2
257.22638	15.1
267.21042	36.6
275.11685	3.6
278.08182	5.8
283.33066	4.5
285.22137	51.8
292.09659	41.3
303.22958	6.8
304.09598	3.9
313.08679	4.8
320.09225	57.3
321.09717	100.0
321.20636	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.9
57.07078	6.3
59.05003	1.2
60.04507	0.9
63.51976	0.7
67.05517	11.9
69.07076	12.3
71.08621	1.8
72.61774	0.8
79.05505	7.3
81.07064	24.3
83.04980	6.3
83.08627	8.7
86.06095	1.1
86.66246	0.8
90.68941	0.8
91.05482	5.7
93.07047	17.0
95.04961	1.0
95.08608	23.1
97.06531	1.6
97.10161	6.3
98.31030	0.8
100.07623	1.3
101.06010	11.8
103.77027	0.9
105.07050	6.9
107.08595	13.8
109.10168	9.9
111.04466	7.5
111.08098	1.6
111.11737	1.1
117.07001	1.4
119.08551	6.1
121.10152	13.3
123.11710	6.8
129.05475	4.3
129.07011	0.8
131.08575	3.9
133.10146	6.5
135.11685	9.2
137.13246	1.9
145.10132	1.5
147.06544	1.3
147.11708	5.3
149.13214	1.9
153.12753	0.9
160.96519	0.9
161.13258	5.4
163.14754	1.5
165.12802	1.5
175.14824	5.2
177.16374	14.5
187.11208	1.1
189.16385	2.0
219.17506	1.5
221.83957	0.9
225.60022	1.0
245.22630	5.5
257.22827	1.5
263.23694	8.5
267.21075	1.4
280.26373	34.5
285.22165	5.2
291.08411	1.5
292.09753	1.0
293.10034	8.2
303.23163	21.7
319.08038	1.1
320.09268	1.5
321.09515	100.0
321.26086	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73653	0.5
55.01879	0.7
55.05517	15.2
56.05043	0.5
57.03438	1.0
57.07083	8.2
65.03936	0.5
66.94962	0.5
67.05511	25.1
69.07068	27.5
71.05014	0.6
71.08636	5.2
72.08149	0.6
75.37911	0.5
79.05499	8.6
80.51852	0.5
81.07061	36.2
82.98631	0.6
83.04975	1.3
83.08624	23.2
84.08137	1.3
85.06522	2.5
85.10199	1.2
86.06061	2.7
91.05495	7.7
93.07042	15.1
95.04993	1.1
95.08605	37.4
97.06537	3.5
97.10165	15.8
97.81046	0.6
99.08118	1.4
100.07623	5.6
105.07048	5.9
107.08584	11.1
109.06525	1.4
109.10150	23.0
111.08076	2.8
111.11722	3.3
113.09641	2.3
114.09158	5.5
117.07038	0.9
119.08569	8.7
121.10139	10.7
123.08075	2.5
123.11691	11.4
125.09605	2.3
125.13366	0.8
126.09181	1.1
128.10703	2.9
130.19243	0.5
130.33963	0.6
131.08530	2.4
133.10143	11.0
135.01117	0.7
135.11679	6.8
137.09602	2.4
137.13264	4.8
139.11203	0.8
142.12228	2.0
145.10153	1.0
147.11685	8.8
149.13260	6.6
151.11194	2.9
151.14807	3.1
153.12738	1.3
156.13867	2.1
159.11578	0.5
161.13266	6.1
163.14813	3.8
165.16388	4.6
167.14371	0.8
170.15436	0.7
175.14850	4.3
179.14262	0.7
179.17950	3.2
182.15498	0.6
186.08116	0.5
189.16376	1.3
198.18565	1.3
224.20096	0.7
228.63268	0.7
245.22610	14.1
259.20520	1.1
263.23669	27.5
278.08157	0.7
280.26328	100.0
280.44189	0.6
292.09637	7.7
304.09750	3.3
306.07596	0.7
318.07651	0.7
320.09201	14.0
321.09717	25.1
321.25934	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59800	0.6
55.04855	0.7
55.05517	4.8
57.07087	1.5
59.13454	0.6
67.05518	6.0
67.17364	0.7
69.07073	10.0
71.08599	0.6
79.05481	0.9
81.07067	10.7
83.08624	9.0
89.04139	0.7
93.07040	2.9
95.08615	14.6
97.06552	1.3
97.10154	6.4
100.07628	1.4
105.07043	1.1
105.64772	0.7
107.08604	3.2
109.10165	6.9
111.08091	1.3
114.09206	1.2
119.08553	0.8
121.10124	3.6
123.11712	6.0
133.10149	1.6
135.11717	1.9
137.13245	1.5
147.11693	1.4
161.13229	1.7
163.14793	1.0
165.16426	1.1
170.12614	0.9
175.14851	1.1
179.17957	0.9
221.22618	0.7
245.22653	5.6
263.23688	11.3
280.26337	37.9
291.11224	0.9
292.09564	1.1
320.09167	4.1
321.09543	17.2
321.25943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2592
Annotation	3beta-Fluoro-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
50.11742	0.5
50.87159	0.4
53.83427	0.5
55.05516	4.8
56.79804	0.5
57.07078	3.6
58.83526	0.5
67.05510	7.5
69.07074	13.6
69.49188	0.5
71.08635	1.0
71.21647	0.5
79.05509	1.2
81.07063	12.5
83.08625	9.9
86.06066	0.8
91.05477	0.7
93.07044	2.4
95.08604	12.5
97.06544	1.0
97.10182	5.6
100.07619	2.6
105.07009	1.0
107.08595	2.8
109.06495	0.7
109.10162	9.7
111.08089	2.4
111.11732	1.3
113.09599	0.6
114.09184	2.5
119.08549	3.2
121.10128	2.5
123.08057	0.8
123.11724	4.3
125.09643	0.9
125.20682	0.6
128.10751	1.9
133.10136	2.5
135.11716	1.3
137.13278	1.2
139.11215	0.9
142.12291	0.8
147.11668	3.0
149.13318	0.9
151.11198	1.3
151.14853	0.7
153.59134	0.6
156.13831	0.7
161.13289	3.4
163.14888	0.6
165.16406	1.1
167.14391	0.6
169.53650	0.6
170.15417	0.8
175.14830	1.3
179.14409	0.7
179.17941	2.7
184.16936	1.0
197.45000	0.6
219.21120	0.7
245.22588	6.8
247.76573	0.5
263.23697	10.5
280.26346	38.9
293.09998	3.1
313.08234	0.7
321.09518	20.8
321.25934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19324	1.0
55.05507	5.5
55.49832	1.2
55.61500	1.2
57.07068	2.8
57.72013	1.1
58.27854	1.3
60.04523	1.4
67.05497	7.4
69.07079	12.6
79.05505	2.8
81.07062	19.0
81.84679	1.3
83.08613	10.3
85.10215	1.3
91.05512	1.4
92.21534	1.5
93.07034	2.5
95.08619	15.6
97.10175	5.6
100.07600	1.9
105.07056	2.3
107.08617	2.3
109.10159	10.4
111.11743	2.0
114.09152	2.1
119.08582	1.2
120.25298	1.2
121.10130	5.0
123.11715	5.2
127.28004	1.4
133.10139	3.0
147.11684	1.7
161.13222	1.6
163.14806	1.7
198.18704	1.4
243.06627	1.4
245.22565	7.0
252.61943	1.4
263.23718	14.7
276.48911	1.3
280.26343	49.0
293.09998	8.8
312.82825	1.5
319.07910	1.5
321.09512	100.0
321.25916	95.3
321.30203	2.8
321.30981	2.7
342.56372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52070	0.6
55.05507	3.0
57.07068	1.5
67.05497	4.4
68.85844	0.7
69.07062	7.7
71.08644	1.2
79.05513	1.0
81.07063	6.9
83.08619	5.4
88.22411	0.6
93.07055	1.2
95.08601	6.6
97.10154	3.0
100.07605	1.2
109.10152	5.5
111.11745	0.8
119.08575	0.8
121.10136	1.2
123.11702	1.2
125.31493	0.6
133.10152	1.3
135.11708	1.1
137.13240	1.0
147.11681	0.9
149.13350	0.7
161.13268	1.2
163.14792	1.2
175.14842	1.1
191.59552	0.8
203.97015	0.7
245.22693	3.2
263.08978	0.7
263.23727	5.9
273.54831	0.7
278.07730	1.1
280.26358	20.4
281.73880	0.7
291.08658	0.9
292.09598	6.7
293.09943	8.1
296.81372	0.7
304.09616	1.1
319.07996	1.4
320.09195	8.2
321.09518	100.0
321.25946	86.8
321.30423	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88082	0.6
51.00037	0.6
54.76747	0.7
55.05518	8.2
55.58463	0.7
57.07071	5.1
63.43861	1.0
63.97224	0.6
67.05525	9.2
69.07085	9.7
71.08653	2.5
77.88400	0.7
79.05499	6.9
81.07065	18.5
81.25158	0.9
83.04983	4.6
83.08618	6.5
84.58880	0.8
91.05483	5.1
91.31359	0.8
91.55751	0.8
92.21474	1.0
93.07056	12.7
95.08620	16.6
97.06509	1.4
97.10187	5.9
99.08096	1.2
101.06017	8.0
105.07032	5.2
107.08588	9.1
109.06525	0.9
109.10141	7.9
111.04435	4.6
111.08055	0.9
111.11716	1.1
114.09174	1.2
119.08577	5.1
121.10175	9.8
123.08086	1.4
123.11719	5.4
125.05981	0.9
125.09673	1.3
125.86565	0.8
129.05475	3.4
131.08575	2.0
133.10104	4.6
135.08041	1.5
135.11691	6.2
137.13266	1.7
141.66422	0.8
143.08606	0.8
145.10123	1.5
147.11690	4.3
149.13246	1.6
151.11218	1.3
153.27229	1.0
159.11697	1.6
161.13202	3.5
163.14828	1.4
171.11719	1.5
173.13268	1.7
175.14751	3.2
177.16360	10.7
193.19617	1.1
229.92285	1.0
245.22607	8.7
247.43752	0.9
263.23651	7.4
264.00272	0.9
267.21405	1.0
280.26407	29.7
280.29437	1.5
292.09705	1.5
293.10019	9.4
303.23221	15.2
319.07822	3.0
320.09146	3.8
321.09509	100.0
321.26059	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60125	0.7
50.82029	0.5
55.05521	12.0
57.06828	0.6
57.07084	10.6
60.05102	0.7
67.05183	1.0
67.05511	18.4
69.03416	0.8
69.07072	28.1
71.04979	1.2
71.08644	4.9
72.08141	1.0
79.05483	4.9
79.12705	0.7
81.07063	34.8
83.04987	1.0
83.08624	23.7
84.08134	1.5
85.06550	0.8
85.10167	0.8
86.06065	3.7
86.09661	0.6
91.05477	4.1
93.07059	8.7
95.08614	40.3
97.06544	4.9
97.10166	16.3
98.09696	1.1
99.08080	0.8
100.07615	4.8
105.07019	5.7
107.08588	9.0
109.06519	1.0
109.10161	23.4
111.08102	3.9
111.11714	4.1
112.07642	1.0
114.09174	5.1
119.08569	6.3
121.10143	8.2
123.08054	2.7
123.11705	11.9
125.09624	4.2
126.09151	0.9
128.10719	4.3
133.10127	10.7
135.11688	6.9
137.09631	2.8
137.13269	3.7
139.11108	0.8
140.10652	0.9
142.12273	3.3
147.11708	5.7
149.13239	3.9
151.11237	2.6
151.14841	2.6
153.12682	0.9
154.12256	0.7
156.13828	0.9
161.13261	4.4
163.14790	4.7
165.16400	3.0
167.14334	0.8
169.15714	0.6
170.15413	0.8
175.14822	4.1
179.14259	1.0
179.17915	2.6
181.15948	0.9
184.16953	0.9
189.16376	3.0
196.16940	0.6
198.18547	1.2
219.21106	0.8
221.22710	0.9
245.22630	17.1
263.23679	29.3
280.26343	100.0
292.09897	0.9
293.09988	5.2
304.19046	1.3
304.23627	1.1
313.08420	2.4
319.07816	1.0
320.09079	2.3
321.09534	43.0
321.25925	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22161	0.5
53.03954	0.7
54.96481	0.6
55.01870	2.5
55.05518	16.2
57.03442	1.3
57.07084	9.4
59.59393	0.6
67.05505	26.3
67.05836	1.0
69.03439	1.0
69.07066	26.2
70.70571	0.6
71.04999	1.2
71.08642	6.0
72.04546	0.7
72.08177	0.9
79.05505	10.2
81.03426	1.2
81.07060	44.1
83.04995	7.0
83.08623	24.5
84.08138	1.0
85.06551	1.5
85.10202	2.8
86.06094	1.7
86.09721	1.0
91.05476	7.4
93.07043	13.6
95.04996	4.6
95.08605	39.7
97.02927	1.2
97.06545	5.1
97.10168	18.2
97.10748	1.1
99.08082	0.7
100.07626	6.4
102.28207	0.6
105.07026	10.8
107.04973	5.4
107.08588	12.7
109.02870	7.2
109.06570	4.4
109.10158	21.1
111.04473	4.8
111.08073	5.9
111.11775	3.8
114.09167	5.1
117.07025	1.2
119.08591	10.5
121.06509	1.5
121.10150	11.5
123.08100	3.3
123.11696	11.6
125.09626	5.1
126.09140	0.8
128.10733	3.0
131.08601	3.0
133.06445	0.8
133.10107	12.8
135.04497	0.8
135.08073	4.9
135.11707	7.3
137.09650	3.4
137.13286	3.9
139.11221	1.5
140.10713	0.9
142.12300	1.5
143.08615	1.5
145.10136	1.6
147.08087	1.0
147.11647	8.7
149.09773	0.9
149.13232	6.1
151.11165	1.4
151.14876	1.8
153.09215	0.8
156.13884	1.6
159.08109	1.0
159.11768	1.1
161.09644	5.4
161.13194	5.8
163.07562	1.1
163.11122	0.9
163.14885	4.9
165.12770	1.5
165.16435	2.8
167.14308	0.8
171.08101	1.1
173.13428	0.8
175.14769	5.1
177.12712	1.1
177.16451	1.2
179.10733	0.8
179.14279	0.9
179.17960	1.4
180.79201	0.7
181.15854	0.8
184.16945	0.9
189.16432	1.0
193.66966	0.8
203.12909	3.4
203.18025	0.9
210.18576	1.0
225.11316	1.6
233.15352	0.9
243.17542	3.5
245.22591	15.7
261.18494	8.9
263.23648	28.0
271.16904	5.0
280.26328	100.0
285.22412	0.8
287.89230	0.8
289.17957	9.4
292.09760	1.6
293.10043	6.7
293.21381	1.2
303.19748	6.8
303.23367	3.8
313.08704	0.8
319.08279	0.9
320.09378	2.9
321.09500	64.8
321.26044	76.9
338.39609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34898	0.8
55.05524	9.8
57.07088	7.8
67.05506	16.6
69.07074	26.8
71.08628	5.4
72.08164	1.2
79.05486	2.0
81.07062	27.8
83.04991	1.4
83.08613	17.7
84.08137	1.1
85.10182	1.2
86.06089	1.6
91.05491	2.4
93.07045	8.9
95.08612	33.2
97.06514	4.7
97.10168	16.9
100.07649	4.3
101.84643	0.9
105.07054	1.6
107.08585	6.6
109.06527	1.5
109.10152	21.2
111.08076	1.8
111.11725	2.1
114.09158	6.8
119.08574	5.6
121.10104	7.9
123.08070	1.2
123.11712	7.8
124.41714	1.1
125.09630	1.7
126.09210	1.1
128.10696	2.4
132.54820	1.2
133.10135	7.5
135.11702	5.2
137.13257	2.1
142.12253	1.6
147.11734	7.0
149.13260	5.9
151.11201	1.8
151.14899	2.1
153.12811	1.7
161.13234	5.5
163.14839	5.1
165.12901	0.9
165.16335	4.4
171.13136	1.0
172.25002	1.0
175.14867	2.5
179.18005	1.1
189.16426	2.0
217.62595	1.0
218.61385	1.3
219.21158	1.0
245.22624	15.7
263.23657	24.6
280.26334	88.3
293.09991	5.2
313.08521	1.1
320.09250	1.5
321.05630	1.1
321.06415	0.9
321.09525	53.8
321.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34898	0.8
55.05524	9.8
57.07088	7.8
67.05506	16.6
69.07074	26.8
71.08628	5.4
72.08164	1.2
79.05486	2.0
81.07062	27.8
83.04991	1.4
83.08613	17.7
84.08137	1.1
85.10182	1.2
86.06089	1.6
91.05491	2.4
93.07045	8.9
95.08612	33.2
97.06514	4.7
97.10168	16.9
100.07649	4.3
101.84643	0.9
105.07054	1.6
107.08585	6.6
109.06527	1.5
109.10152	21.2
111.08076	1.8
111.11725	2.1
114.09158	6.8
119.08574	5.6
121.10104	7.9
123.08070	1.2
123.11712	7.8
124.41714	1.1
125.09630	1.7
126.09210	1.1
128.10696	2.4
132.54820	1.2
133.10135	7.5
135.11702	5.2
137.13257	2.1
142.12253	1.6
147.11734	7.0
149.13260	5.9
151.11201	1.8
151.14899	2.1
153.12811	1.7
161.13234	5.5
163.14839	5.1
165.12901	0.9
165.16335	4.4
171.13136	1.0
172.25002	1.0
175.14867	2.5
179.18005	1.1
189.16426	2.0
217.62595	1.0
218.61385	1.3
219.21158	1.0
245.22624	15.7
263.23657	24.6
280.26334	88.3
293.09991	5.2
313.08521	1.1
320.09250	1.5
321.05630	1.1
321.06415	0.9
321.09525	53.8
321.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.5
57.07071	4.4
66.78686	0.8
67.05514	10.0
69.07068	17.1
71.08620	3.6
72.04524	1.1
72.80410	0.8
76.73064	0.8
79.05504	1.4
81.07056	17.5
83.08622	11.9
86.06097	1.4
90.49761	0.9
91.05489	1.4
93.07041	5.0
95.08607	18.2
97.10156	8.9
100.07609	1.9
105.07050	4.0
107.08582	5.6
109.10180	12.1
111.08095	1.1
111.11721	1.0
114.09135	1.9
119.08570	4.7
121.10132	5.5
123.11686	7.7
125.09610	1.3
128.10698	1.7
133.10143	4.3
135.11681	3.6
137.13232	1.7
139.11182	1.1
144.65375	1.0
146.99591	0.9
147.11687	5.3
149.13263	2.0
151.11096	0.9
161.13248	4.1
163.14795	1.2
165.16441	1.2
175.14822	1.8
179.17897	1.2
245.22668	10.4
263.23645	13.1
280.26334	58.2
292.09583	4.1
293.10068	7.7
299.08902	1.4
304.09784	1.1
304.23370	1.0
313.08557	1.4
319.08002	1.7
320.09015	9.5
321.09521	100.0
321.25955	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	13.1
57.07078	7.8
57.95489	0.8
67.05506	18.0
69.07076	27.1
71.08624	4.0
77.47904	0.9
79.05499	4.6
79.75457	0.8
81.07063	37.9
83.08629	27.0
86.06059	3.3
91.05476	4.8
93.07043	9.6
95.04935	0.9
95.08611	32.1
97.06541	3.9
97.10175	18.1
100.07604	5.5
101.29700	0.8
105.07037	4.8
107.08594	10.2
109.10164	24.0
111.08085	5.8
111.11729	4.8
114.09189	5.4
119.08575	7.4
121.10172	6.5
123.08090	4.1
123.11719	11.5
125.09627	1.3
128.10727	3.8
133.10156	9.4
135.11682	4.4
137.09616	1.6
137.13260	5.2
139.11198	1.2
142.12233	1.2
147.11710	5.4
149.13255	5.2
151.14835	1.6
153.12718	1.5
156.13824	2.2
161.13264	4.9
163.14807	3.8
165.16380	4.5
167.14293	1.5
170.15457	1.2
175.14824	3.9
177.16473	1.4
179.17940	1.5
184.17023	1.6
189.16397	1.4
219.20985	1.6
221.22574	1.0
245.22652	18.0
247.48529	1.0
263.23700	28.5
265.10464	1.0
280.26346	100.0
292.09668	4.9
293.10019	5.9
298.13669	0.9
320.09189	2.1
320.62766	1.0
321.06680	1.5
321.09534	68.0
321.25940	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83756	1.3
55.05515	4.8
57.07095	3.7
67.05496	7.2
68.45776	1.3
69.07058	11.4
70.06564	1.2
70.38751	1.1
71.08614	2.2
77.35986	1.0
79.05492	3.0
81.07069	17.9
83.08628	9.6
84.18039	1.3
85.98084	1.3
91.05478	4.8
93.07039	6.1
94.06575	2.5
95.08608	13.7
96.08102	1.4
97.10159	6.0
102.33830	1.0
105.07045	5.7
107.08601	5.1
108.08121	1.3
109.10151	8.1
111.04394	1.3
119.08575	2.5
121.10149	10.0
122.09667	1.8
123.11726	2.6
133.10127	2.4
135.11711	2.2
136.11240	1.4
137.13261	1.5
138.12801	2.9
138.44778	1.1
147.11650	1.8
150.12798	2.9
152.14380	1.4
161.13313	1.5
164.14273	2.2
178.15883	1.7
192.17412	2.1
206.19162	2.0
263.23819	2.2
276.26825	28.9
279.27896	2.4
280.26242	5.4
281.28613	1.4
286.25211	8.6
291.08484	1.9
293.09872	11.2
300.78036	1.3
304.26266	35.6
319.07629	1.5
320.09094	4.5
321.09470	100.0
321.25574	6.0
321.29025	46.1
322.27377	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05521	14.0
55.49006	0.7
57.07087	8.5
58.06586	1.2
63.27085	0.6
67.05511	21.3
67.28349	0.6
69.07072	31.2
71.05013	0.7
71.08637	4.9
72.04517	0.9
72.08153	1.3
78.99551	0.6
79.05495	6.4
81.07063	41.5
82.06609	0.8
83.04997	1.6
83.08630	24.7
84.08141	2.6
85.06550	1.0
85.10168	1.3
86.06086	4.6
86.09724	1.0
91.05479	3.8
93.07047	13.7
95.04979	0.7
95.08607	41.7
96.08127	2.8
97.06544	7.3
97.10165	17.2
98.09705	1.4
99.08115	1.5
100.07635	6.7
105.07020	5.8
107.08595	12.8
109.06490	0.7
109.10164	25.5
110.09686	0.8
111.08094	4.9
111.11729	5.6
112.07619	1.0
113.09648	0.6
114.09182	6.3
119.08582	8.6
121.10136	14.0
123.08079	1.2
123.11704	11.9
125.09622	3.9
126.09133	0.8
126.12731	0.7
128.10730	5.0
131.08627	1.1
133.10132	10.6
135.11703	11.8
137.09659	1.0
137.13255	6.1
138.12749	0.6
139.11205	2.5
140.10693	1.1
142.12273	3.5
145.10150	1.5
147.11685	6.0
149.13272	8.4
151.11171	1.3
151.14816	4.3
153.12743	1.1
154.12248	0.8
156.13861	2.7
159.11716	0.7
161.13235	7.8
163.14832	6.6
165.12653	0.8
165.16385	4.3
167.14244	1.3
170.15382	3.2
173.13194	0.6
175.14845	5.1
177.16423	1.0
177.50348	0.6
179.14253	1.2
179.17918	1.6
181.15924	0.9
182.15479	0.6
184.16943	2.7
189.16397	3.5
198.18492	2.7
205.19699	0.9
219.21080	0.8
235.60527	0.6
243.21095	1.1
245.22626	15.2
261.22180	1.1
262.25186	0.8
263.23694	30.5
263.26535	1.2
275.20010	0.7
278.24762	1.1
280.26340	100.0
292.09735	0.9
304.26385	5.3
320.09259	3.5
321.09598	15.4
321.29010	49.9
341.43604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62881	0.2
76.24487	0.2
92.25284	0.2
102.96452	0.3
119.01947	0.5
122.97783	0.3
139.22411	0.2
177.00949	2.7
182.99895	1.2
201.00894	4.7
213.52075	0.2
219.01999	100.0
221.02350	0.8
231.89232	0.2
237.03111	0.3
238.95554	0.5
242.03561	3.0
247.00685	0.2
256.96945	7.4
257.96713	0.4
262.95374	0.3
274.97620	1.8
275.97714	0.3
279.98300	0.3
280.96448	0.8
298.97720	27.9
300.98230	0.2
307.08282	1.8
316.98615	0.3
321.99295	9.8
322.10770	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76843	0.9
59.95385	1.0
63.16136	0.9
107.33706	1.1
120.02087	1.3
133.08104	1.2
158.14424	1.1
162.03148	1.4
167.71362	1.4
172.01480	1.6
190.02588	6.4
190.22424	1.2
204.02718	1.3
206.82167	1.4
214.96458	2.1
219.01973	17.5
234.05144	1.6
238.96576	2.7
246.68938	1.3
256.97577	85.1
257.28455	1.5
262.04883	2.3
280.97595	7.8
298.98624	100.0
300.95895	1.2
307.08337	10.1
320.09201	1.5
321.99954	6.2
322.07156	2.3
322.10742	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50630	0.8
70.66560	0.9
172.28885	1.1
193.24738	1.0
276.06601	4.1
278.07758	1.2
279.05276	5.0
279.08737	1.2
292.06155	1.1
292.09564	1.1
294.07587	85.2
304.06125	1.6
305.25073	1.3
307.08377	61.9
322.07040	94.7
322.10718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0698
Annotation	7-oxohernangerine
Peak:m/z	Relative Intensity
66.50630	0.8
70.66560	0.9
172.28885	1.1
193.24738	1.0
276.06601	4.1
278.07758	1.2
279.05276	5.0
279.08737	1.2
292.06155	1.1
292.09564	1.1
294.07587	85.2
304.06125	1.6
305.25073	1.3
307.08377	61.9
322.07040	94.7
322.10718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.071
Annotation	Oxocompostelline
Peak:m/z	Relative Intensity
51.85595	0.3
62.98999	0.4
67.84122	0.3
69.62818	0.4
69.70323	0.3
70.84245	0.4
140.19360	0.5
279.05350	1.7
294.07623	42.7
294.10974	2.2
307.08228	3.1
322.07114	100.0
322.10571	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0708
Annotation	Oxocompostelline
Peak:m/z	Relative Intensity
55.81319	0.3
61.36330	0.4
71.63615	0.3
84.83305	0.4
99.83237	0.4
115.06338	0.3
141.73267	0.3
181.26054	0.5
236.07059	0.4
239.60315	0.5
247.84311	0.4
264.06503	3.5
292.06088	4.6
304.06146	0.4
307.08377	18.7
308.34656	0.5
320.05524	26.6
322.07065	100.0
322.10724	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05851	0.3
53.88298	0.4
65.39334	0.4
66.60392	0.4
70.06585	0.4
73.93108	0.5
83.04978	1.7
85.06539	2.2
90.98277	0.4
97.06538	1.6
121.06499	0.7
125.05984	4.9
125.09627	5.2
143.07034	2.2
143.10674	0.7
145.06435	0.5
163.07497	1.5
164.07072	2.5
166.08644	0.6
180.10175	1.6
243.24327	0.5
244.74429	0.5
264.06448	0.6
264.10162	0.6
279.05396	1.5
279.08893	2.5
294.07605	44.7
294.10831	1.7
307.05151	0.7
307.08374	20.3
320.09167	0.8
322.07077	100.0
322.10745	39.0
322.16342	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0971
Annotation	NSC 663284
Peak:m/z	Relative Intensity
50.47013	0.3
65.92139	0.3
85.79693	0.3
96.91235	0.3
102.34328	0.3
125.22965	0.3
143.82315	0.3
167.99498	0.3
264.09412	0.5
279.08356	0.5
292.09018	1.7
293.09952	1.2
294.10306	8.9
301.15207	0.3
307.08356	25.9
320.08109	2.3
322.09808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0977
Annotation	6-Chlorohyellazole
Peak:m/z	Relative Intensity
50.98741	1.9
62.06084	3.3
62.20080	2.1
64.30505	1.9
74.06081	4.7
74.25301	2.0
85.02908	2.4
86.06079	5.6
90.04669	2.9
97.02911	4.1
99.04449	15.9
120.84277	2.2
124.07565	4.0
125.08607	2.3
128.07056	5.3
148.34343	2.6
152.07074	23.0
170.08136	13.5
188.09154	10.5
189.80153	2.2
202.02643	3.2
206.10162	2.8
220.03648	4.9
263.82678	2.2
265.84503	2.3
286.12793	4.8
304.13901	22.0
307.08350	29.1
322.05594	8.3
322.10123	100.0
322.14954	14.8
339.36505	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1073
Annotation	Teliglazine
Peak:m/z	Relative Intensity
53.15416	0.3
94.02571	0.3
103.82146	0.3
140.94571	0.3
141.96980	0.4
251.09546	0.5
277.07495	0.4
278.08029	0.4
279.08890	8.3
292.06046	0.5
294.11298	2.8
307.08380	43.8
320.09137	0.5
322.10733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1072
Annotation	Teliglazine
Peak:m/z	Relative Intensity
58.62860	0.1
137.61740	0.1
143.47554	0.1
144.71721	0.1
194.50014	0.1
197.47969	0.1
220.07610	0.2
221.08537	0.1
250.08630	0.9
251.09393	0.7
253.93069	0.2
277.07263	0.6
278.08038	0.9
279.08899	7.1
292.09686	0.2
294.07648	0.6
294.11197	2.6
306.07492	0.2
307.08389	43.2
320.09042	0.6
322.10733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13584	0.2
68.61088	0.2
71.60090	0.2
82.80035	0.2
84.23861	0.2
94.35056	0.2
95.97385	0.3
99.31812	0.2
106.97920	0.2
250.08533	0.4
251.09369	0.3
278.08069	0.4
279.08884	5.4
292.09622	0.3
293.10199	0.3
294.11215	2.4
307.08368	43.7
320.09070	0.5
322.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1069
Annotation	Cepharadione B
Peak:m/z	Relative Intensity
54.73075	0.4
54.82376	0.4
58.06593	0.4
60.05734	0.4
75.75986	0.5
93.48240	0.5
101.97007	0.5
119.65752	0.5
145.68593	0.5
185.66708	0.5
198.51198	0.5
212.68486	0.5
233.08124	0.5
249.07744	0.6
250.08623	3.6
253.77646	0.5
265.07397	0.6
278.08087	17.3
279.08862	15.3
294.11234	97.9
304.09821	0.9
307.08331	16.2
314.59650	0.9
322.10727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47306	0.5
56.61158	0.5
62.22561	0.4
82.60484	0.5
100.57841	0.4
112.88951	0.4
114.77940	0.4
189.50481	0.5
216.35199	0.6
251.09370	0.6
277.07370	0.9
278.07986	1.1
279.08871	8.3
292.09613	0.8
294.10876	2.8
307.08356	42.7
311.33621	0.5
320.08905	0.7
322.10672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10491	0.3
85.03641	0.3
99.97731	0.3
105.33538	0.3
109.53101	0.3
109.72603	0.3
250.08676	0.4
251.09483	0.5
267.80508	0.3
277.07449	0.4
278.08011	0.4
279.08942	7.9
294.11343	2.8
307.08371	46.6
320.08997	0.4
322.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09107	0.1
62.84607	0.1
66.20832	0.1
81.39452	0.1
82.32513	0.1
99.73311	0.1
111.47838	0.1
136.45099	0.1
159.21690	0.1
204.76784	0.1
217.06538	0.1
221.07906	0.1
222.09149	0.2
248.06941	0.1
250.08585	0.8
251.09404	0.7
277.07346	0.5
278.08075	0.7
279.08878	7.6
292.09695	0.2
294.11230	2.6
305.06873	0.2
306.07675	0.5
307.08371	47.7
320.09164	0.5
322.10721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59280	0.1
62.91669	0.1
73.39145	0.1
74.53251	0.1
79.38506	0.1
86.82584	0.1
96.46353	0.2
107.57048	0.1
109.28020	0.1
136.45813	0.1
152.70776	0.2
157.78447	0.1
221.08273	0.2
249.96657	0.1
250.08551	0.8
251.09346	0.6
277.07175	0.7
278.08035	0.8
279.08890	7.8
292.05927	0.2
292.09509	0.2
294.11240	2.6
306.07568	0.2
307.08365	44.6
320.09299	0.6
322.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1074
Annotation	Teliglazine
Peak:m/z	Relative Intensity
57.68060	0.3
58.06619	0.3
63.47689	0.3
69.07046	0.4
71.01278	0.4
72.08156	1.5
74.76368	0.3
82.11847	0.4
84.08126	0.3
86.09691	0.7
88.03982	0.4
111.04446	0.4
120.08102	2.8
137.05978	0.7
160.07541	1.8
162.05452	0.7
196.40515	0.4
219.14848	0.5
224.05469	1.8
234.11259	0.6
240.12279	0.7
258.13339	2.3
262.08569	0.6
264.10233	2.2
275.07053	0.4
276.14334	0.8
279.08795	0.7
286.12811	1.6
292.09589	2.9
294.07620	0.6
304.14188	0.8
305.10715	0.5
307.08368	50.9
320.09143	2.1
322.10715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1072
Annotation	Teliglazine
Peak:m/z	Relative Intensity
51.48575	0.1
54.72380	0.1
60.22055	0.1
76.05456	0.1
128.35365	0.2
148.98648	0.1
165.24945	0.1
220.07561	0.2
248.06905	0.1
250.08630	0.8
251.09512	0.3
277.07416	0.6
278.08102	0.7
279.08884	6.8
279.11923	0.3
292.09778	0.2
294.11285	2.6
304.72592	0.1
306.07623	0.1
307.08377	44.6
320.09134	0.7
322.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1067
Annotation	Teliglazine
Peak:m/z	Relative Intensity
73.33385	0.2
73.73260	0.2
75.98025	0.2
79.33887	0.2
121.06507	0.3
125.09622	0.8
139.07559	0.2
143.10681	0.8
151.06187	0.2
164.07100	1.4
279.08783	1.4
294.07632	0.2
307.08377	60.8
322.10724	100.0
322.20148	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54216	0.2
56.33255	0.3
58.45515	0.3
59.85699	0.3
61.70971	0.2
64.48132	0.3
74.88728	0.3
75.80154	0.3
82.69328	0.3
94.60209	0.3
110.61282	0.3
112.27789	0.3
120.57834	0.3
127.49415	0.3
128.07309	0.3
131.00102	0.3
154.90565	0.3
172.24840	0.4
264.09283	0.4
278.08060	0.4
279.08905	2.4
292.08914	1.4
293.09784	0.4
294.10257	5.2
307.08365	98.3
310.98096	0.3
320.08475	1.3
322.10315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54216	0.2
56.33255	0.3
58.45515	0.3
59.85699	0.3
61.70971	0.2
64.48132	0.3
74.88728	0.3
75.80154	0.3
82.69328	0.3
94.60209	0.3
110.61282	0.3
112.27789	0.3
120.57834	0.3
127.49415	0.3
128.07309	0.3
131.00102	0.3
154.90565	0.3
172.24840	0.4
264.09283	0.4
278.08060	0.4
279.08905	2.4
292.08914	1.4
293.09784	0.4
294.10257	5.2
307.08365	98.3
310.98096	0.3
320.08475	1.3
322.10315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1071
Annotation	Teliglazine
Peak:m/z	Relative Intensity
51.26292	0.3
72.68430	0.3
109.51151	0.3
110.59505	0.4
137.41388	0.4
176.39862	0.4
232.80797	0.4
279.08826	0.8
293.09857	0.5
294.10315	6.6
307.08380	59.4
320.08401	2.1
321.09500	0.9
322.10074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1071
Annotation	Teliglazine
Peak:m/z	Relative Intensity
54.28757	0.2
56.47299	0.2
57.98992	0.3
70.31731	0.3
75.80660	0.2
76.02414	0.3
82.37669	0.3
140.58058	0.3
151.42020	0.3
164.57112	0.3
206.30656	0.3
220.71819	0.3
250.08670	0.5
268.17981	0.3
277.07300	0.6
278.07889	0.5
279.08875	8.2
294.11206	2.9
307.08359	49.2
320.09259	1.1
322.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1282
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
51.42558	0.9
54.94057	1.0
55.01859	1.0
57.03428	1.5
58.06601	6.6
61.02921	1.1
69.03419	6.8
70.06611	1.3
72.08134	2.3
73.02914	2.8
78.86750	1.2
81.03428	2.0
85.02895	12.7
87.04449	6.0
97.02885	5.0
99.04433	2.5
121.00835	1.3
127.03888	1.9
129.13985	1.1
132.08102	2.1
142.06512	32.1
143.07294	5.8
144.08087	12.7
145.02875	1.9
147.96497	1.3
152.30388	1.2
158.06042	1.8
160.07561	74.3
177.05412	8.5
203.09315	1.6
234.11237	7.1
238.51045	1.2
294.07642	1.6
304.12088	2.5
307.08264	15.9
311.04950	1.3
321.95557	1.5
322.13190	100.0
322.16537	6.8
322.20792	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42558	0.9
54.94057	1.0
55.01859	1.0
57.03428	1.5
58.06601	6.6
61.02921	1.1
69.03419	6.8
70.06611	1.3
72.08134	2.3
73.02914	2.8
78.86750	1.2
81.03428	2.0
85.02895	12.7
87.04449	6.0
97.02885	5.0
99.04433	2.5
121.00835	1.3
127.03888	1.9
129.13985	1.1
132.08102	2.1
142.06512	32.1
143.07294	5.8
144.08087	12.7
145.02875	1.9
147.96497	1.3
152.30388	1.2
158.06042	1.8
160.07561	74.3
177.05412	8.5
203.09315	1.6
234.11237	7.1
238.51045	1.2
294.07642	1.6
304.12088	2.5
307.08264	15.9
311.04950	1.3
321.95557	1.5
322.13190	100.0
322.16537	6.8
322.20792	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70193	0.6
52.24373	0.6
69.07100	0.9
70.06592	1.2
71.01345	3.6
81.03423	13.9
84.00249	0.7
85.02948	1.0
86.09701	18.0
87.03193	5.3
87.49710	0.9
88.03989	6.4
96.04490	1.4
97.02877	1.3
98.09672	7.2
108.04501	1.6
111.04435	13.9
113.06001	6.8
120.08100	1.6
121.06506	4.0
122.05986	1.0
126.05492	4.6
127.06299	0.8
128.10712	12.7
129.05568	1.0
135.08102	0.8
141.01825	0.8
142.06558	0.9
152.03436	3.8
157.04988	1.5
164.10680	9.8
171.05275	1.8
184.06120	1.1
184.09648	1.0
189.06206	1.3
196.13306	4.5
198.03778	0.8
202.07144	3.5
208.09680	1.8
208.19786	0.9
210.11240	6.0
240.12286	20.7
248.07617	1.2
258.13345	64.3
262.08545	0.9
264.10181	3.8
273.59518	0.8
276.14435	18.2
286.12814	34.4
292.09726	2.9
294.09586	17.1
304.13910	52.5
307.08386	52.3
310.02332	1.0
320.09229	1.9
322.10583	100.0
322.14929	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74202	1.6
53.54493	1.6
54.27813	1.7
60.05638	8.7
61.02951	1.8
63.80467	1.6
69.03439	2.8
70.06600	37.6
71.01369	3.5
72.08160	8.5
73.79324	1.7
80.05061	1.7
81.03428	14.1
85.02909	3.7
86.06039	1.8
86.09703	29.7
87.03196	4.0
88.03983	8.8
97.02863	7.3
98.03654	2.7
98.09681	3.0
99.04455	11.4
111.04454	18.1
112.08736	3.9
113.06001	3.5
114.09128	3.0
116.07082	4.0
120.08090	3.5
124.07597	2.3
126.05452	8.5
127.03896	3.6
128.07056	4.8
128.10658	14.5
136.06383	2.6
142.08618	9.4
145.02750	3.2
152.07074	9.8
157.04985	2.5
164.10715	12.0
170.08183	3.9
175.11914	11.7
177.05496	22.2
202.07050	2.8
209.85094	2.0
210.11273	11.1
234.11249	12.4
240.12271	21.2
258.13397	88.9
262.10767	39.2
264.10162	2.7
276.14474	31.7
286.12851	45.6
304.13895	82.4
305.18713	2.9
307.08386	58.1
320.09003	4.7
322.10693	100.0
322.14880	43.4
322.18710	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Salbostatin
Peak:m/z	Relative Intensity
54.18988	2.2
56.05045	2.4
62.06079	11.1
67.66413	2.4
68.90295	2.4
69.03444	2.8
71.04987	5.7
72.04522	5.4
72.08160	20.3
74.06079	17.0
74.96363	2.4
81.03417	15.6
85.02915	15.4
86.06059	36.1
86.09682	9.5
96.04507	4.1
97.02866	21.6
98.06054	6.3
98.09708	2.7
99.04456	72.5
100.07618	6.6
104.07114	11.3
109.02915	3.5
111.04433	2.8
112.11253	4.0
116.07080	4.9
119.59912	2.8
122.06005	21.4
122.64169	2.4
124.07580	14.6
124.57029	2.4
125.04749	12.1
126.05527	17.3
128.07063	31.1
129.13924	3.0
140.07043	9.8
142.08656	15.3
145.02832	15.4
146.16475	5.0
149.78271	2.6
152.07069	100.0
158.08136	11.3
160.07498	4.2
164.10725	3.4
170.08112	69.2
172.06071	3.2
177.05443	37.8
188.09158	24.7
198.95790	3.5
206.10229	14.5
234.11272	12.0
240.12308	11.7
258.13303	44.6
262.10764	11.0
268.11755	3.6
276.14432	15.3
286.12759	45.8
304.13931	96.9
305.18466	3.4
307.08466	6.2
322.10693	29.8
322.14917	69.3
322.20950	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Salbostatin
Peak:m/z	Relative Intensity
55.71726	0.4
56.05040	2.7
58.06594	0.6
62.06084	1.4
66.57076	0.5
69.03431	1.0
71.89658	0.6
74.06081	27.1
81.03417	1.2
85.02916	4.7
85.58893	0.6
86.06073	7.6
88.07615	0.8
92.69347	0.6
97.02897	2.8
98.06036	2.8
99.04462	6.8
100.29603	0.7
103.03947	1.0
104.07092	0.9
109.02874	0.6
111.96077	0.7
112.07607	1.1
121.06464	0.6
126.05561	1.1
127.03902	3.7
128.07045	1.3
140.07050	0.9
142.08667	1.2
143.01904	1.1
152.07039	1.3
153.05406	0.8
155.01883	2.1
158.08167	1.1
160.04762	0.8
161.02950	2.5
170.08124	0.9
173.02991	2.4
178.06226	0.8
180.10188	1.4
184.09708	7.5
188.09195	5.7
196.09698	2.6
199.04514	1.0
200.09169	4.2
201.06131	3.7
202.02582	0.7
202.06247	9.2
206.10216	6.0
214.06264	3.7
216.07796	0.7
218.10132	0.7
220.03400	1.2
220.07343	2.9
226.10710	9.4
232.07224	2.5
240.12308	0.9
244.07527	1.9
244.11729	1.2
245.05069	0.8
256.11975	0.7
263.06100	0.7
268.11893	1.0
286.12689	5.4
304.09439	7.2
304.13873	12.3
307.08365	14.2
322.10663	31.1
322.14941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Salbostatin
Peak:m/z	Relative Intensity
50.70193	0.6
52.24373	0.6
69.07100	0.9
70.06592	1.2
71.01345	3.6
81.03423	13.9
84.00249	0.7
85.02948	1.0
86.09701	18.0
87.03193	5.3
87.49710	0.9
88.03989	6.4
96.04490	1.4
97.02877	1.3
98.09672	7.2
108.04501	1.6
111.04435	13.9
113.06001	6.8
120.08100	1.6
121.06506	4.0
122.05986	1.0
126.05492	4.6
127.06299	0.8
128.10712	12.7
129.05568	1.0
135.08102	0.8
141.01825	0.8
142.06558	0.9
152.03436	3.8
157.04988	1.5
164.10680	9.8
171.05275	1.8
184.06120	1.1
184.09648	1.0
189.06206	1.3
196.13306	4.5
198.03778	0.8
202.07144	3.5
208.09680	1.8
208.19786	0.9
210.11240	6.0
240.12286	20.7
248.07617	1.2
258.13345	64.3
262.08545	0.9
264.10181	3.8
273.59518	0.8
276.14435	18.2
286.12814	34.4
292.09726	2.9
294.09586	17.1
304.13910	52.5
307.08386	52.3
310.02332	1.0
320.09229	1.9
322.10583	100.0
322.14929	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
56.05045	2.3
58.06613	1.9
62.06091	10.3
69.03437	3.1
71.04985	1.9
72.04510	8.4
74.06092	16.9
80.43987	2.0
81.03406	14.8
84.04543	2.0
85.02901	12.1
86.06067	26.5
86.09676	3.0
89.35963	1.8
95.05007	2.3
97.02883	15.7
98.06071	2.9
99.04457	66.1
100.03974	3.9
100.07661	3.3
103.03927	3.4
104.07119	4.3
105.34595	2.4
108.04507	2.8
109.02885	5.0
110.06033	3.2
120.83413	1.9
122.06046	16.9
124.07552	14.5
125.04734	8.6
126.05509	9.8
128.07071	31.5
140.07043	3.0
142.08635	9.3
152.07060	100.0
158.08147	5.1
165.25179	1.9
170.08119	52.0
188.09108	17.6
206.10260	4.7
240.12515	2.3
258.13348	9.6
276.14453	4.2
286.12866	34.2
304.13940	70.5
305.18579	2.2
307.08417	9.2
322.10800	9.2
322.14917	54.3
322.21606	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1644
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
51.43244	0.6
52.43708	0.7
58.06604	66.7
61.94862	0.7
62.54194	0.7
70.06571	0.8
72.04507	3.4
80.23433	0.8
81.03403	1.2
82.12917	0.9
86.06069	3.2
97.02866	0.8
99.04446	1.5
109.86246	0.7
137.84134	0.7
159.08055	5.2
177.09149	1.4
183.08083	1.3
205.10966	0.8
206.08006	0.9
213.09081	5.0
215.10629	1.7
217.08540	1.0
231.10133	1.5
232.06033	3.7
232.09593	1.5
240.11992	1.1
248.05505	9.4
249.13577	1.8
258.13376	4.8
259.09674	11.8
261.11090	1.1
262.11386	1.1
262.14362	36.4
264.10153	1.8
276.14612	1.7
277.07764	1.2
278.17532	4.7
286.12860	1.8
292.09445	1.2
304.08038	1.4
304.15698	5.7
307.08365	32.4
316.51483	0.8
322.10593	59.2
322.16458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06205	0.5
72.50078	0.7
75.93586	0.6
77.36501	0.7
79.05461	1.1
81.07047	1.0
82.32843	0.7
83.04977	2.9
83.08614	0.8
85.02893	2.7
107.08596	42.0
125.09630	77.2
145.04956	1.5
176.86292	0.7
177.05464	1.5
178.05850	2.6
264.10168	2.5
279.08783	1.5
292.09583	2.7
294.07553	3.0
307.08374	54.5
320.09149	2.4
322.07208	8.0
322.10690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40523	0.5
52.12974	0.5
53.47669	0.6
58.06609	0.8
63.88992	0.6
66.99561	0.5
70.06608	2.7
72.08158	40.4
73.56944	0.6
75.09259	0.6
89.03907	1.2
100.07631	2.9
112.11276	3.2
117.03386	3.3
129.13893	4.1
145.02849	28.9
146.16519	4.9
149.05989	1.1
159.32808	0.8
171.68491	0.6
177.05457	100.0
206.11790	3.9
234.11234	50.3
251.13841	4.4
269.31210	0.7
305.18604	18.8
307.08350	16.2
307.11575	1.1
322.10681	24.9
322.21289	52.0
342.88162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40523	0.5
52.12974	0.5
53.47669	0.6
58.06609	0.8
63.88992	0.6
66.99561	0.5
70.06608	2.7
72.08158	40.4
73.56944	0.6
75.09259	0.6
89.03907	1.2
100.07631	2.9
112.11276	3.2
117.03386	3.3
129.13893	4.1
145.02849	28.9
146.16519	4.9
149.05989	1.1
159.32808	0.8
171.68491	0.6
177.05457	100.0
206.11790	3.9
234.11234	50.3
251.13841	4.4
269.31210	0.7
305.18604	18.8
307.08350	16.2
307.11575	1.1
322.10681	24.9
322.21289	52.0
342.88162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
55.55959	1.6
57.07070	2.1
63.82166	1.5
67.05499	10.9
69.07077	3.3
70.57504	1.4
75.25821	1.3
78.93467	1.8
81.07056	15.8
83.08631	3.5
86.09723	1.8
91.05473	2.0
93.07072	3.2
95.08590	13.9
96.08131	10.5
98.83352	2.0
107.08582	3.6
109.10146	3.7
110.09734	1.7
115.05303	1.7
121.10116	2.6
149.13216	2.1
161.13278	2.1
276.20624	1.9
277.27316	2.0
279.08716	2.1
307.08380	62.2
322.07367	3.8
322.10730	100.0
322.27295	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.1
57.07071	3.3
62.05790	4.7
62.06093	100.0
67.05507	18.5
69.07063	9.7
79.05471	4.6
81.06226	2.9
81.07066	21.7
83.08611	4.8
93.07037	12.6
93.80725	2.1
95.08607	18.9
101.48855	2.2
107.08595	13.7
109.10148	11.0
119.08543	3.0
121.10132	2.5
123.11702	5.0
124.67513	2.6
133.10126	3.4
202.71011	2.4
243.21111	3.4
300.42950	2.5
307.08310	53.0
322.10748	95.4
322.27399	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05518	1.5
57.07069	2.2
59.59251	1.0
62.06087	7.3
67.05508	10.0
69.07077	10.8
71.08623	1.0
79.05487	8.4
81.03424	1.7
81.07069	12.8
83.08604	4.7
85.10165	6.6
90.15180	1.3
90.40759	1.2
91.05425	2.0
93.07043	11.3
95.04954	8.3
95.08620	12.9
97.06542	2.4
103.49577	1.3
105.07013	4.5
107.08619	8.5
109.10167	6.9
111.08080	1.9
113.09615	1.8
119.08623	1.9
121.10136	6.7
125.06127	1.2
133.10074	2.9
135.11659	4.6
142.95982	1.1
143.57941	1.2
145.10164	1.7
147.11685	4.4
149.13210	1.9
150.10030	1.3
151.11201	1.7
152.14360	1.6
153.12766	1.3
165.12735	7.5
175.14708	1.4
193.15852	4.9
198.14868	6.0
210.18556	2.0
235.17043	1.6
287.23581	1.3
304.19196	2.5
304.26477	1.4
305.24759	38.7
307.08405	63.2
321.09628	2.0
322.10712	100.0
322.20502	2.1
322.24350	2.6
322.27539	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.99768	0.7
55.01872	4.2
55.05520	8.2
57.06820	1.3
57.07083	24.1
66.82776	0.7
67.05508	15.0
69.07069	12.1
71.04990	1.2
71.08614	1.1
79.05492	13.2
81.03423	6.3
81.07063	24.8
82.80161	1.1
83.04982	4.9
83.08608	8.0
85.06532	1.1
85.10205	0.8
91.05473	7.1
93.07043	20.1
95.04970	13.6
95.08607	17.4
95.66883	0.9
97.06519	4.6
97.10166	3.9
100.07616	1.2
101.58160	0.9
105.07041	8.3
105.55932	0.9
107.04958	1.0
107.08580	11.6
109.06501	4.1
109.10157	9.3
111.08070	1.0
117.06996	1.9
119.08569	9.7
121.10127	15.1
123.08096	1.4
123.11720	1.7
125.09650	1.6
127.11186	5.4
133.10152	7.3
135.08023	1.2
135.11679	4.6
137.09602	4.1
137.13307	1.2
138.12766	1.9
139.11203	1.9
145.10121	4.7
147.11667	4.4
149.13254	3.7
156.13899	1.0
156.68459	0.8
157.10156	1.0
159.11745	1.6
161.13203	6.3
163.11139	1.6
163.14806	1.2
165.12721	1.9
175.14804	1.5
177.91521	1.0
179.14330	17.8
184.13330	8.6
185.13239	1.5
193.15840	1.5
196.16934	3.8
221.15306	3.9
269.22369	1.1
277.25266	1.5
287.23636	4.2
298.62943	0.9
304.23203	1.2
304.26370	4.2
305.24734	57.5
307.08365	57.6
320.09244	1.4
321.09558	3.5
322.10703	100.0
322.23795	1.9
322.27438	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77251	2.2
69.03411	3.7
70.31946	2.5
81.25172	2.8
97.02890	3.0
122.06001	4.1
152.05046	3.2
161.02869	4.0
169.23032	2.9
173.95390	3.1
192.51358	2.8
203.02306	4.1
206.79137	2.9
221.03186	3.8
239.10220	7.1
249.26413	3.0
287.12451	10.8
303.09271	4.5
323.07236	100.0
323.10510	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91549	2.4
53.30725	3.2
58.06599	14.6
61.59075	3.0
69.03442	5.8
72.74551	3.1
72.77573	3.6
73.03401	2.5
81.03429	6.9
84.08124	3.7
85.02901	24.4
97.02893	14.7
98.97578	4.3
99.04455	3.9
100.07632	7.1
114.09144	3.3
115.91674	3.3
116.98566	3.3
122.06017	14.6
127.03938	6.7
128.55556	3.1
136.07594	28.8
143.01930	19.7
144.06580	7.5
145.03474	3.2
155.01901	4.2
161.02942	18.2
161.09256	5.0
173.02991	14.7
185.02925	7.0
193.09631	4.1
201.06142	5.9
203.04010	6.5
203.05788	4.4
208.06123	4.5
219.07127	3.8
229.96823	4.0
233.05103	5.6
239.10246	57.2
245.05095	6.8
263.06110	4.9
269.11319	5.3
274.90012	3.8
287.12390	35.4
303.09241	4.0
305.13684	13.2
308.08682	22.2
323.07263	100.0
323.10968	30.6
323.15213	37.8
337.10907	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59175	1.0
61.02935	1.6
61.93153	1.0
69.03421	8.5
70.06580	1.5
71.04970	1.1
76.04006	1.3
82.29214	1.3
82.97229	1.2
84.04509	11.3
85.02908	13.6
87.04467	2.0
88.03983	5.0
97.02895	2.8
99.04478	2.2
104.08556	1.2
109.02864	1.6
113.02350	6.9
120.08125	1.5
127.03893	1.9
130.04990	3.0
134.04439	1.2
142.03252	4.9
145.02814	10.7
145.04909	2.4
161.02072	18.9
164.07022	9.5
177.05466	21.8
185.04196	25.7
190.08664	11.0
202.08603	1.8
203.05257	8.0
211.43918	1.4
218.69769	1.2
227.88503	1.2
237.97906	1.2
238.01218	1.3
308.08759	18.6
323.07275	100.0
323.11053	82.1
323.15863	7.0
338.13818	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68325	0.3
61.50717	0.3
65.20246	0.3
143.45853	0.3
255.39822	0.3
265.09668	0.4
267.10886	0.5
280.08383	0.7
293.09943	2.6
294.10193	1.2
295.10516	9.3
307.08063	0.6
308.08685	11.1
321.08646	2.3
322.09552	0.3
323.10037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85371	0.2
77.23360	0.2
82.52509	0.2
82.95975	0.3
84.04520	0.5
89.00569	0.2
92.20874	0.4
98.97893	0.2
101.95731	0.2
117.48155	0.2
122.24981	0.3
130.04965	0.3
144.08070	2.1
164.07030	0.3
165.70735	0.3
178.84836	0.2
230.04361	0.2
249.59366	0.5
257.10413	0.4
279.07654	1.2
280.08472	3.4
295.10565	1.2
296.09204	0.3
308.07895	41.8
314.12100	0.3
323.10233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17048	0.4
67.47821	0.4
69.03436	0.4
75.51321	0.4
85.02895	0.5
86.09701	0.5
107.69438	0.4
130.08658	2.3
144.08086	2.0
161.02165	0.5
164.07077	2.8
185.04204	0.7
225.54454	0.4
234.07619	1.7
237.24667	0.4
248.00653	0.5
259.13690	0.5
260.05490	1.7
268.91785	0.5
279.07690	0.6
280.08325	3.1
295.11069	0.5
305.14459	0.5
306.05988	0.7
308.07925	40.9
323.10312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1025
Annotation	Bipolaramide
Peak:m/z	Relative Intensity
52.17048	0.4
67.47821	0.4
69.03436	0.4
75.51321	0.4
85.02895	0.5
86.09701	0.5
107.69438	0.4
130.08658	2.3
144.08086	2.0
161.02165	0.5
164.07077	2.8
185.04204	0.7
225.54454	0.4
234.07619	1.7
237.24667	0.4
248.00653	0.5
259.13690	0.5
260.05490	1.7
268.91785	0.5
279.07690	0.6
280.08325	3.1
295.11069	0.5
305.14459	0.5
306.05988	0.7
308.07925	40.9
323.10312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1022
Annotation	Bipolaramide
Peak:m/z	Relative Intensity
51.88124	0.4
53.72085	0.4
75.20081	0.5
79.44087	0.4
82.72490	0.5
82.86837	0.4
83.76168	0.5
86.09708	0.7
92.21423	0.5
102.50075	0.5
144.08104	0.9
164.07054	0.8
189.43277	0.5
218.22743	0.5
280.08365	4.6
295.10715	5.3
308.07928	40.5
323.10226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88124	0.4
53.72085	0.4
75.20081	0.5
79.44087	0.4
82.72490	0.5
82.86837	0.4
83.76168	0.5
86.09708	0.7
92.21423	0.5
102.50075	0.5
144.08104	0.9
164.07054	0.8
189.43277	0.5
218.22743	0.5
280.08365	4.6
295.10715	5.3
308.07928	40.5
323.10226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85371	0.2
77.23360	0.2
82.52509	0.2
82.95975	0.3
84.04520	0.5
89.00569	0.2
92.20874	0.4
98.97893	0.2
101.95731	0.2
117.48155	0.2
122.24981	0.3
130.04965	0.3
144.08070	2.1
164.07030	0.3
165.70735	0.3
178.84836	0.2
230.04361	0.2
249.59366	0.5
257.10413	0.4
279.07654	1.2
280.08472	3.4
295.10565	1.2
296.09204	0.3
308.07895	41.8
314.12100	0.3
323.10233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55547	0.6
69.03431	25.7
70.02953	0.8
71.04993	0.9
72.07558	0.7
74.02443	7.5
78.37644	0.7
81.03402	0.8
84.08143	4.9
85.02887	3.2
85.57563	0.7
86.06087	1.1
86.09704	1.3
88.03989	29.0
90.73196	0.8
96.04478	1.4
98.02452	0.7
99.04441	1.5
110.71850	0.9
111.04459	1.0
113.02364	37.3
116.03446	16.2
123.63433	0.7
126.05416	0.8
127.03945	0.8
129.06604	1.9
134.04475	11.1
137.04347	0.7
145.04944	4.5
164.07277	1.0
175.07103	0.8
190.68245	0.7
195.63808	0.9
217.08147	0.9
242.06566	1.4
259.13638	1.9
260.07697	1.1
260.77380	0.8
277.10202	1.6
287.13004	1.3
295.10043	1.5
305.14478	1.6
306.08356	0.9
308.08679	13.6
323.10861	100.0
323.15997	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78905	0.6
59.55690	0.6
74.63297	0.6
93.40108	0.8
94.49948	0.7
100.93921	0.8
242.55423	0.8
254.84045	0.8
265.07336	0.9
277.10999	1.1
279.08899	13.3
280.09647	4.3
282.52554	0.7
294.11246	21.7
306.11273	9.1
307.08286	8.7
308.08743	96.1
320.09311	1.0
322.10745	35.0
323.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29543	0.3
85.94400	0.4
109.44729	0.4
232.09911	0.4
242.65392	0.4
279.08789	0.4
280.08997	0.7
293.09744	0.8
295.10526	6.2
307.08334	6.1
308.08698	100.0
321.08698	0.9
322.09589	0.6
323.10654	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58952	0.4
64.29012	0.3
69.34863	0.3
71.73869	0.3
81.89748	0.3
280.09204	0.9
295.10541	3.8
307.08344	5.9
308.08704	100.0
323.10886	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1133
Annotation	Luisol A
Peak:m/z	Relative Intensity
54.36433	0.5
63.09820	0.6
71.43090	0.7
73.37539	0.6
97.31277	0.8
99.04470	1.0
108.12872	0.8
125.09169	0.7
137.50998	0.7
167.94963	0.6
188.08014	0.6
214.32365	0.6
223.91493	0.7
277.10971	1.4
279.08859	16.7
280.09512	4.9
293.03168	0.8
293.10358	0.7
294.11227	29.0
306.11142	9.1
307.08356	11.9
308.08771	66.2
322.10739	43.2
323.11288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1125
Annotation	Luisol A
Peak:m/z	Relative Intensity
52.47008	0.9
53.03957	12.1
53.15706	1.0
58.82240	1.0
59.95332	0.9
61.28296	1.0
63.34044	1.0
71.05010	4.8
71.54028	1.0
74.59680	1.2
79.01073	1.0
79.05496	2.0
81.03424	40.2
82.55904	1.2
91.05473	2.5
97.02896	1.8
99.04457	100.0
105.07037	1.9
109.02885	48.3
109.06492	1.1
115.05464	4.8
117.07017	2.6
121.06524	1.4
123.04414	1.1
125.02380	4.5
126.41917	1.5
127.03936	19.8
128.79930	1.1
133.06519	1.4
149.14000	1.1
167.09868	1.4
179.07037	1.4
189.69803	1.3
207.06523	20.2
225.07658	5.8
279.08630	4.6
294.10449	7.1
295.11661	10.7
306.17044	1.2
308.08710	6.8
322.09854	7.0
323.11179	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.115
Annotation	Thalifendine
Peak:m/z	Relative Intensity
52.93628	0.8
66.25810	1.0
74.53098	0.9
99.41175	1.2
169.86079	1.0
224.44376	1.0
277.10986	5.6
279.08911	28.7
280.09644	8.7
294.11237	52.2
306.11252	17.2
307.08405	15.6
308.09103	17.7
309.10007	1.3
320.09338	1.8
322.10724	73.0
323.11526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1144
Annotation	Thalifendine
Peak:m/z	Relative Intensity
69.98341	0.8
92.21133	1.3
116.80111	0.8
120.86814	0.8
156.23526	1.0
181.93852	0.9
250.52197	0.9
277.11090	3.5
279.08890	23.9
280.09763	6.3
291.08987	1.5
294.11227	44.6
306.11197	15.7
307.08539	12.6
308.08939	34.2
320.09222	1.4
322.10727	63.3
323.11469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83564	1.0
106.49937	1.1
137.69519	1.1
277.10962	1.6
279.08890	17.5
280.09601	6.3
294.11264	28.4
306.11118	10.7
307.08411	10.0
308.08792	38.1
309.09900	1.5
322.10718	49.4
323.11292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1149
Annotation	Thalifendine
Peak:m/z	Relative Intensity
68.30888	1.0
81.61269	0.8
125.60928	0.8
188.69521	0.9
265.68149	0.9
277.11035	3.9
279.08871	22.3
280.09677	6.7
291.09012	1.8
294.11234	49.5
306.11212	16.1
307.08401	11.2
308.08942	19.8
320.09119	1.0
322.10727	78.5
323.11517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84376	0.8
59.25602	0.8
65.42851	0.8
65.57929	1.1
66.46799	0.9
67.37828	0.8
73.13426	1.2
73.48882	1.1
86.40807	0.9
97.02895	8.2
99.04427	1.5
102.37974	1.1
105.07027	1.1
119.04902	1.3
121.73502	1.0
124.82774	1.1
124.98278	0.9
129.06996	1.3
131.04849	4.2
133.06461	6.0
135.04433	11.9
137.05936	4.3
157.16237	1.0
161.05943	12.7
161.19519	1.1
175.03810	1.1
177.20764	1.0
191.07077	11.0
207.06444	6.2
231.07906	1.9
235.11171	1.2
259.07278	3.6
259.17188	1.2
260.08093	1.6
263.10547	4.3
263.60291	1.1
276.07462	1.8
280.09631	1.5
291.10214	8.7
292.10458	1.9
293.11676	1.4
295.10901	1.3
307.08279	5.2
308.08627	48.8
321.09229	1.2
322.10391	4.3
323.10941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56282	1.4
57.53525	1.7
60.87357	1.8
94.11543	1.8
108.97849	1.8
117.91866	1.9
128.06216	2.1
129.06985	41.3
135.04414	2.8
154.57529	1.9
155.04913	2.1
159.07957	3.1
165.05206	1.8
168.54169	1.8
174.84753	1.9
219.07977	3.1
221.09671	3.8
231.08055	2.6
232.08926	3.0
233.09608	4.3
234.10443	3.4
248.08302	3.5
249.09082	9.5
261.05704	2.0
262.09842	9.8
263.10629	9.8
264.11407	18.5
265.08563	8.2
276.07645	1.9
277.08557	7.3
279.09262	2.6
280.10999	3.8
291.10178	10.6
292.10864	17.5
293.08072	9.5
294.10422	2.1
295.13327	68.6
307.08255	2.7
307.11542	9.6
308.08374	39.6
308.12729	3.9
322.10535	8.7
323.11224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.1
58.06606	6.0
60.70386	1.5
69.03435	2.9
71.04956	1.8
75.68725	1.4
81.03432	11.0
84.08144	7.3
85.02916	8.6
87.05593	1.8
88.75142	1.4
97.02905	2.9
99.04459	100.0
117.05477	8.9
127.03911	2.4
131.04921	6.7
133.06081	2.8
140.56078	1.4
142.08670	3.3
145.04935	1.5
176.04738	2.2
188.09464	1.5
190.12393	1.9
191.07043	39.1
195.23009	1.5
218.08109	1.7
243.08708	1.9
250.82361	1.7
261.09784	2.2
286.44357	1.8
306.74326	1.6
307.08377	2.3
308.08740	26.2
323.11069	87.1
323.16205	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1602
Annotation	Terezine B
Peak:m/z	Relative Intensity
58.06605	2.1
69.03432	2.8
70.06580	1.4
84.04450	1.4
85.02911	2.7
86.06075	13.0
87.04478	10.4
95.92894	1.2
97.02874	1.4
99.04456	5.5
104.07116	18.8
116.07157	1.2
119.04913	1.7
121.06508	5.2
122.06010	1.2
136.06186	2.8
137.05981	82.6
145.04916	1.2
147.08008	1.4
158.99670	2.0
161.05980	9.1
164.07013	1.6
171.54898	1.2
175.07515	20.0
178.08582	1.1
179.08171	1.8
188.07007	1.3
191.06990	1.2
202.08574	5.6
203.07047	6.7
211.28513	1.2
220.09686	100.0
233.06810	1.2
239.10379	1.6
277.08163	1.2
287.12808	1.2
308.08698	14.4
323.11694	27.9
323.16043	91.2
331.39371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97125	1.2
58.06609	3.8
61.01151	3.6
62.92841	1.6
68.02636	2.7
69.07069	4.2
72.08152	7.9
75.02692	9.2
84.04515	16.6
84.08147	100.0
85.02883	2.1
86.06051	6.9
86.09704	20.9
88.03992	67.1
96.04489	3.3
98.09673	2.2
99.04439	1.9
100.07622	19.4
102.48843	1.5
103.02152	6.9
105.07042	6.7
111.35139	1.5
112.07553	2.0
121.06468	1.9
122.09641	2.5
128.07018	2.7
130.08636	2.0
132.10178	2.4
137.05936	3.1
141.00327	1.9
143.05751	3.3
143.06773	2.5
144.10191	13.7
149.02632	3.1
152.10680	8.2
153.11475	13.8
155.53696	2.1
159.08347	3.4
164.07356	14.7
169.13344	3.9
170.11722	6.1
181.10965	2.1
187.07811	2.0
192.06854	1.8
198.11246	24.5
199.11998	22.3
215.13893	9.7
216.12286	12.9
236.26181	1.6
257.92734	2.0
259.16489	20.2
262.11066	49.2
265.06741	1.9
295.66254	1.8
305.11404	2.9
305.14932	1.7
308.08615	14.1
313.28287	1.8
323.10773	24.9
323.16281	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
52.96009	2.0
55.01870	5.1
55.05518	22.6
57.03448	31.0
58.95768	2.5
60.49437	2.6
66.44236	2.4
67.05510	21.7
69.07076	3.3
79.05499	33.3
81.07061	44.9
83.08609	14.0
85.06557	5.5
91.05473	12.0
93.07034	26.5
93.88455	2.9
95.04980	4.1
95.08616	19.9
97.06548	4.4
97.10178	32.8
99.04494	3.7
99.08089	5.7
105.07035	17.2
107.04961	19.3
107.08625	23.8
109.06496	20.7
109.10137	5.4
117.07016	16.1
119.08588	25.0
121.06499	13.8
121.10120	11.4
122.01680	2.6
123.08083	13.1
125.09613	26.2
131.08572	10.8
133.06488	4.1
133.10133	11.1
135.08051	13.2
135.11723	2.9
137.05978	4.5
143.08543	5.0
145.10135	15.1
147.08014	19.0
147.11719	3.1
149.09593	5.4
153.09048	2.8
157.10115	4.2
159.11705	3.4
161.09622	4.4
171.11641	3.3
173.13268	3.1
181.10149	3.3
183.11668	2.9
201.12935	2.7
201.50629	3.0
203.12868	22.1
219.13815	6.6
255.17409	5.0
273.18488	40.0
279.08752	3.2
291.19568	16.9
294.11465	2.7
305.21075	100.0
308.08801	37.2
322.10611	3.5
323.11063	74.1
323.22150	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04815	1.5
54.40326	1.7
55.01872	12.2
55.05316	1.5
55.05524	25.0
57.03403	2.3
57.06857	2.0
57.07085	31.9
57.12093	1.5
59.36283	1.6
67.05513	30.7
69.03431	4.2
69.07075	47.9
71.08636	41.7
72.60197	1.6
79.05505	24.6
81.03413	4.6
81.07070	39.7
83.04978	2.6
83.08623	45.7
85.06555	7.9
85.10187	3.8
86.06071	3.3
91.05490	21.4
93.07047	30.9
95.04978	12.6
95.08609	39.6
97.06536	15.2
97.10178	31.0
99.08086	18.1
100.07638	7.3
105.07030	13.5
107.04974	14.7
107.08604	24.3
109.02885	4.6
109.06543	4.0
109.10163	24.2
111.04455	4.4
111.08102	18.5
111.11743	8.0
114.09184	8.6
117.07031	7.5
119.08614	14.4
121.06516	4.6
121.10152	20.6
123.04419	2.4
123.08079	8.1
123.11727	3.0
125.09650	13.4
128.10774	1.9
129.06985	4.1
131.08588	3.7
131.85146	1.8
133.10124	12.2
135.08086	10.7
135.11688	16.6
137.09621	15.4
139.11220	3.7
141.09065	2.8
145.10126	4.3
147.08009	2.7
147.11702	10.0
149.09669	9.5
149.13257	13.4
149.72458	2.0
151.11217	13.6
153.09137	2.5
155.10590	3.6
157.10139	4.2
161.09607	4.5
161.13324	2.8
163.11186	9.1
165.09109	4.5
165.12744	3.1
167.10667	2.0
171.11630	4.1
175.11198	10.1
176.25490	2.0
177.12727	9.6
179.10674	8.7
181.15889	1.9
189.12752	3.8
191.18019	2.0
193.12247	12.9
199.11324	2.9
217.12213	2.2
221.15352	4.5
227.18057	2.8
241.62131	2.0
245.18932	13.6
247.24214	9.4
255.17429	2.8
263.20020	22.4
265.25302	10.1
273.18549	35.3
282.27908	100.0
291.19531	70.5
295.22812	2.4
305.21121	69.8
305.24524	4.2
306.25183	4.5
308.08771	25.6
309.20554	3.9
323.07837	2.6
323.11145	45.6
323.16281	7.8
323.22171	15.6
323.27606	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.04815	1.5
54.40326	1.7
55.01872	12.2
55.05316	1.5
55.05524	25.0
57.03403	2.3
57.06857	2.0
57.07085	31.9
57.12093	1.5
59.36283	1.6
67.05513	30.7
69.03431	4.2
69.07075	47.9
71.08636	41.7
72.60197	1.6
79.05505	24.6
81.03413	4.6
81.07070	39.7
83.04978	2.6
83.08623	45.7
85.06555	7.9
85.10187	3.8
86.06071	3.3
91.05490	21.4
93.07047	30.9
95.04978	12.6
95.08609	39.6
97.06536	15.2
97.10178	31.0
99.08086	18.1
100.07638	7.3
105.07030	13.5
107.04974	14.7
107.08604	24.3
109.02885	4.6
109.06543	4.0
109.10163	24.2
111.04455	4.4
111.08102	18.5
111.11743	8.0
114.09184	8.6
117.07031	7.5
119.08614	14.4
121.06516	4.6
121.10152	20.6
123.04419	2.4
123.08079	8.1
123.11727	3.0
125.09650	13.4
128.10774	1.9
129.06985	4.1
131.08588	3.7
131.85146	1.8
133.10124	12.2
135.08086	10.7
135.11688	16.6
137.09621	15.4
139.11220	3.7
141.09065	2.8
145.10126	4.3
147.08009	2.7
147.11702	10.0
149.09669	9.5
149.13257	13.4
149.72458	2.0
151.11217	13.6
153.09137	2.5
155.10590	3.6
157.10139	4.2
161.09607	4.5
161.13324	2.8
163.11186	9.1
165.09109	4.5
165.12744	3.1
167.10667	2.0
171.11630	4.1
175.11198	10.1
176.25490	2.0
177.12727	9.6
179.10674	8.7
181.15889	1.9
189.12752	3.8
191.18019	2.0
193.12247	12.9
199.11324	2.9
217.12213	2.2
221.15352	4.5
227.18057	2.8
241.62131	2.0
245.18932	13.6
247.24214	9.4
255.17429	2.8
263.20020	22.4
265.25302	10.1
273.18549	35.3
282.27908	100.0
291.19531	70.5
295.22812	2.4
305.21121	69.8
305.24524	4.2
306.25183	4.5
308.08771	25.6
309.20554	3.9
323.07837	2.6
323.11145	45.6
323.16281	7.8
323.22171	15.6
323.27606	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06862	0.3
57.07088	5.2
60.87242	0.3
67.05501	0.9
69.07069	0.5
81.07057	2.0
85.06551	2.8
92.20876	0.4
93.07051	0.5
95.04972	2.9
95.08584	1.5
109.10172	0.5
119.08612	0.3
121.10239	0.4
130.19133	0.4
137.06013	3.2
179.10657	2.5
221.15364	100.0
249.18491	2.4
302.29803	0.5
305.21112	3.4
308.08636	5.3
323.11050	11.3
323.16360	1.2
323.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06862	0.3
57.07088	5.2
60.87242	0.3
67.05501	0.9
69.07069	0.5
81.07057	2.0
85.06551	2.8
92.20876	0.4
93.07051	0.5
95.04972	2.9
95.08584	1.5
109.10172	0.5
119.08612	0.3
121.10239	0.4
130.19133	0.4
137.06013	3.2
179.10657	2.5
221.15364	100.0
249.18491	2.4
302.29803	0.5
305.21112	3.4
308.08636	5.3
323.11050	11.3
323.16360	1.2
323.25720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01875	2.4
55.05516	11.7
57.07079	6.0
62.50618	1.2
62.75444	1.2
66.92142	1.4
67.05512	34.8
69.07075	30.8
71.04984	2.2
71.08642	3.3
79.05498	25.2
81.03428	33.5
81.07062	32.6
81.07504	2.3
83.05006	12.5
83.08636	11.7
85.10187	1.8
91.05482	13.7
93.07044	30.1
95.04974	27.4
95.08601	14.8
97.06531	2.7
97.10175	10.2
99.08060	1.8
103.03980	1.3
105.07037	13.1
107.08601	20.0
109.06525	7.3
109.10167	15.8
111.08096	5.5
111.11685	1.3
113.09632	1.8
117.06988	1.7
119.08594	8.5
121.10163	11.7
123.08069	2.0
123.11705	7.4
125.09618	9.6
131.08551	2.3
133.10133	12.2
135.08093	2.2
135.11703	10.8
137.09642	1.9
145.10139	2.9
147.11714	8.1
149.09492	1.9
149.13261	6.1
151.11171	26.9
153.09167	1.6
161.13249	6.4
165.12781	9.7
171.11720	3.0
175.14857	5.6
177.12701	1.5
179.14355	2.4
185.13353	1.4
207.13747	2.4
217.14365	9.6
231.21031	1.9
241.19586	5.2
259.20532	2.6
265.25363	1.6
277.21613	100.0
281.12048	1.6
282.27924	12.6
291.23129	2.8
305.25797	7.9
308.08707	15.7
322.10400	1.5
323.08353	3.7
323.11035	27.5
323.16449	5.8
323.26791	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
55.05521	5.3
57.07082	1.9
67.03046	0.9
67.05510	12.0
69.07083	9.8
71.08623	7.0
79.05513	8.2
81.03409	2.3
81.07063	11.8
81.23711	1.1
81.88239	1.2
83.08624	4.4
91.05495	2.7
91.24472	1.2
93.07046	9.5
95.04975	4.8
95.08616	11.1
96.08949	1.6
97.06540	1.7
97.10158	5.2
99.08092	4.5
105.07047	5.0
107.08605	7.8
109.10174	10.7
119.08590	2.3
121.10168	5.6
123.11761	1.4
125.09641	2.6
133.10130	2.3
135.11697	6.0
141.69087	1.1
145.10217	1.3
147.11687	2.4
149.13249	2.4
151.11189	9.1
161.13222	2.7
163.11235	2.2
165.12785	1.4
174.57956	1.3
179.14282	1.9
217.14424	5.0
231.21109	1.6
259.20621	4.2
277.21655	21.9
280.09601	1.3
294.10486	1.9
305.24683	2.7
306.25015	6.1
307.08530	2.3
308.08734	50.7
311.07040	1.2
322.09857	2.5
323.11066	100.0
323.26529	5.4
323.27249	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.01893	3.7
55.05518	17.5
57.07083	12.5
64.08748	2.4
67.05522	21.5
67.05810	2.3
69.03421	11.9
69.07075	64.5
71.04986	6.9
71.08638	3.7
72.08850	2.5
79.05479	17.5
81.03418	3.3
81.07063	63.9
83.04995	5.5
83.08628	42.2
85.06541	5.2
91.05471	16.4
92.21582	2.6
93.07055	39.5
95.04971	18.8
95.08611	64.2
97.06512	4.2
97.10170	15.4
105.07063	20.6
107.04965	3.1
107.08591	47.9
109.06516	15.8
109.10168	58.9
111.04447	2.7
111.08096	5.6
111.11712	3.4
113.06048	4.8
117.07062	5.2
119.08564	33.2
121.06495	12.8
121.10143	45.9
123.04438	10.4
123.11728	19.6
125.09662	3.9
129.07014	2.8
131.08563	18.9
133.06467	3.7
133.10120	35.1
135.08031	6.0
135.11664	19.1
137.09636	48.0
137.13266	6.1
139.07486	3.5
139.11180	4.2
143.08574	5.2
145.10123	5.9
147.08105	6.4
147.11722	19.1
149.09625	15.1
149.13261	21.3
151.07565	11.0
153.12709	4.1
157.10118	4.1
159.08057	6.7
159.11716	13.8
161.09621	47.2
161.13290	11.0
163.11185	6.6
163.14787	3.6
165.09145	20.4
167.10680	12.6
175.11116	12.8
175.14851	11.2
177.09201	3.8
179.10645	11.5
189.16405	3.8
193.12190	10.4
193.15749	3.4
195.63480	3.1
199.14696	3.3
213.16489	3.4
217.15807	4.0
222.92374	2.9
231.17404	6.6
245.22693	5.0
263.16446	4.5
269.22656	4.4
277.18097	3.9
279.08728	3.3
287.16391	6.2
287.23743	12.0
305.17566	13.2
305.24728	31.1
308.08783	46.9
322.10852	4.4
323.11188	94.9
323.18466	32.3
323.22055	6.7
323.25797	100.0
335.93216	2.9
339.99158	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01883	1.8
55.05513	9.5
57.07073	5.2
60.06940	1.1
67.05515	22.3
69.07071	19.3
71.08611	1.8
75.94303	1.2
78.95201	1.0
78.99271	1.1
79.05481	13.2
81.03414	17.2
81.07059	20.5
83.04978	5.5
83.08617	8.2
85.06517	2.0
85.74656	1.2
91.05478	5.9
93.07047	17.2
95.04961	16.5
95.08591	9.7
95.32822	1.0
97.06532	2.4
97.10176	6.0
98.92708	1.2
99.08078	1.4
105.07042	7.8
107.08602	12.7
109.06536	2.6
109.10159	10.0
119.08568	5.0
121.10172	5.9
123.11698	2.9
125.09637	7.9
133.10129	7.3
135.08026	1.7
135.11717	5.6
137.09563	1.9
147.11684	5.7
149.13283	1.9
151.11174	15.1
161.13295	6.6
163.14801	2.6
165.12727	4.8
166.94020	1.2
193.12360	1.3
202.71295	1.2
217.14362	6.4
231.21057	1.9
277.21625	63.2
280.09079	1.6
282.27780	8.9
291.23141	1.7
305.25815	5.0
307.08350	2.3
308.05582	2.2
308.08713	59.2
323.07858	3.5
323.11084	100.0
323.26761	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2692
Annotation	Cermizine A
Peak:m/z	Relative Intensity
55.05513	3.7
57.05826	0.7
57.07071	3.2
58.87895	0.5
67.05509	3.3
69.07073	8.7
69.47533	0.5
70.06570	2.2
70.10226	0.6
71.08646	1.2
74.33014	0.6
74.52835	0.7
79.05489	2.8
79.12679	0.6
81.03417	2.4
81.07061	6.3
82.06567	1.3
83.08631	3.4
85.10165	0.7
93.07040	3.5
95.04996	1.3
95.08583	4.9
97.06592	1.0
97.10169	3.3
99.08192	0.6
105.06999	1.0
107.08609	3.7
108.08127	1.0
109.07620	1.0
109.10151	3.3
110.02263	0.6
111.08044	0.9
112.12669	0.6
121.10117	1.5
123.11752	1.0
124.11248	1.1
133.10091	0.9
135.11710	2.9
136.11218	0.8
137.13228	0.7
147.11647	1.2
150.12798	3.0
151.11067	0.9
152.13106	1.1
153.13844	1.3
163.14871	0.6
165.12672	0.8
178.05489	0.7
220.19440	0.8
221.38333	0.8
234.12093	0.7
234.22278	0.9
260.23755	3.0
261.22186	1.1
277.21695	5.7
277.26410	3.9
282.27850	7.2
288.23239	5.3
305.25861	28.8
306.24435	4.7
308.08600	4.0
323.11038	7.8
323.26941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95839	1.2
55.05528	1.6
55.37500	1.3
56.62915	1.1
58.04462	1.1
62.06099	100.0
63.06428	11.8
67.05515	10.8
68.05840	2.8
69.07066	2.8
70.07413	1.6
79.05511	5.4
79.51843	1.3
81.07064	15.9
82.07397	2.4
83.08645	2.3
84.09039	1.7
86.34053	1.2
93.07040	7.0
94.07397	3.1
95.08608	11.5
96.08941	5.4
107.08611	6.0
108.08915	2.2
109.10161	6.9
110.10484	2.7
119.99319	1.4
121.10133	5.3
122.10464	1.9
123.11713	2.1
135.11653	1.6
136.12036	2.0
188.43591	1.6
202.16745	1.7
262.22372	3.3
273.68225	1.6
305.26517	2.5
306.25122	6.1
308.08698	21.4
323.11087	42.4
323.27859	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.3
53.03931	0.2
55.01818	0.9
55.02060	0.2
55.05463	11.1
55.05758	0.9
55.85862	0.1
56.05001	0.2
57.03386	0.9
57.07024	17.2
58.06544	0.9
58.06806	0.2
59.04954	0.2
61.51696	0.1
67.05506	6.9
67.05832	0.4
69.03410	0.5
69.07069	27.2
69.07587	0.8
70.06535	1.0
71.04992	1.2
71.05280	0.2
71.08632	11.5
71.08987	0.6
72.04516	1.3
72.08153	2.3
72.09014	0.1
74.99270	0.2
75.74211	0.1
79.05491	2.9
81.07060	15.2
81.07517	0.6
83.04994	1.3
83.08621	25.1
83.09319	0.8
84.08141	1.3
85.06542	1.2
85.10182	6.7
85.10667	0.3
86.06068	4.7
86.09706	1.6
91.05454	0.3
93.07040	6.7
94.23164	0.1
95.08604	16.5
96.08079	0.3
97.06532	5.9
97.10165	21.3
98.09623	0.7
99.08028	0.8
99.72212	0.2
100.07615	7.5
100.11199	0.8
107.08590	6.2
109.10157	9.5
110.09640	0.2
111.08078	6.4
111.11714	7.5
112.07596	0.6
113.09573	0.3
114.09162	6.6
114.12795	0.3
119.08511	0.2
121.10136	8.5
123.10948	0.2
123.11690	3.3
125.08788	0.2
125.09620	3.9
125.13284	1.6
126.09097	0.3
126.12709	0.2
128.10721	4.1
128.14320	0.2
129.12709	0.2
133.10066	0.4
135.11691	8.4
137.09575	0.2
137.13242	1.7
139.11172	2.3
139.14700	0.2
142.12285	2.3
143.47662	0.2
147.11647	0.2
147.43071	0.1
149.12158	0.2
149.13257	5.0
151.11124	0.2
151.14828	1.7
153.12727	1.6
156.13858	1.4
161.13182	0.2
163.14813	2.8
165.16293	0.9
167.14252	0.9
170.15341	1.1
171.76181	0.2
173.13203	0.1
176.04266	0.2
176.50240	0.2
177.16399	1.4
179.17993	0.3
181.15842	0.2
184.16959	1.0
184.20735	0.2
191.17953	1.2
195.17397	0.2
196.16998	0.2
198.18469	1.0
201.16139	0.2
205.19458	0.3
209.18967	0.3
212.20033	0.7
221.22536	0.2
223.20560	0.2
226.21547	0.8
239.23668	1.1
240.23166	0.3
240.26833	0.8
245.22699	0.2
247.24176	9.1
252.26842	0.2
261.38535	0.1
263.23706	0.3
264.26865	0.7
265.25250	13.0
278.28378	0.2
280.26334	1.0
282.27896	100.0
306.27893	3.5
308.08765	1.0
323.11133	2.3
323.30542	31.2
324.28992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00338	0.4
53.03957	0.1
55.01906	1.0
55.05519	11.4
57.03469	0.8
57.07083	16.6
58.06627	0.7
58.73771	0.2
59.05022	0.2
60.04557	0.2
67.05510	5.6
69.03432	0.6
69.07072	29.8
70.06596	0.3
70.55616	0.2
71.04685	0.2
71.05027	1.0
71.08634	10.3
72.04551	1.2
72.08153	2.5
73.06557	0.2
75.04681	0.2
79.05502	3.3
80.24650	0.2
81.07062	11.0
83.04986	1.5
83.08625	26.2
84.08180	0.7
85.06573	0.9
85.10181	4.9
85.10666	0.2
86.06069	4.3
86.09716	1.3
87.72012	0.2
88.07683	0.2
91.05529	0.2
93.07044	5.9
95.08611	13.1
96.08213	0.2
97.06532	6.2
97.07089	0.3
97.10168	20.3
98.09701	0.2
99.08109	0.4
100.07618	7.9
100.08228	0.3
100.11320	0.4
107.08594	6.7
109.10156	7.7
109.10908	0.3
111.08089	5.5
111.11722	7.0
111.34065	0.2
113.09674	0.2
114.09163	6.8
121.10142	8.2
121.10989	0.3
123.11716	3.2
125.09622	3.9
125.13251	2.0
128.10732	3.6
135.11702	8.4
137.13268	1.4
139.11186	2.3
139.14775	0.2
141.12712	0.2
142.12299	2.0
149.13263	6.1
151.14861	1.2
153.12706	1.4
156.13829	1.5
163.14790	2.4
165.16428	1.0
167.14334	0.8
170.15421	1.0
177.16418	1.4
181.15967	0.3
184.16977	1.0
189.26744	0.2
191.17947	1.1
195.17329	0.2
198.18544	1.0
205.19521	0.3
208.21341	0.2
208.81627	0.2
209.19075	0.2
212.20113	1.0
223.20526	0.2
226.21671	0.8
240.23192	0.3
240.26929	0.9
244.28531	0.2
247.24193	7.9
247.26706	0.4
264.26797	0.2
265.25244	12.8
273.07602	0.2
282.27905	100.0
283.22961	0.2
306.27866	0.3
308.08673	5.9
323.07623	0.5
323.11029	12.0
323.27332	0.7
323.30725	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0869
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
54.44826	0.2
55.36789	0.2
58.37985	0.2
61.31408	0.2
67.39760	0.2
78.97806	0.2
105.06604	0.2
111.90843	0.2
124.38315	0.2
174.65453	0.2
194.87772	0.3
214.08223	0.3
239.87056	0.3
253.07266	0.5
263.09201	1.7
264.03067	0.2
266.08081	0.5
269.11896	0.2
280.09778	0.5
281.06912	8.5
281.10510	18.9
283.34183	0.2
296.09232	22.9
296.12842	6.4
304.72510	0.2
308.09171	1.2
309.06342	27.0
309.09836	2.5
324.08707	100.0
324.12329	14.8
341.54196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47804	0.3
61.81878	0.3
64.70099	0.3
67.88889	0.3
92.21511	0.7
113.95140	0.3
278.08087	2.1
280.09601	4.6
291.05191	0.5
292.09619	0.6
294.07556	2.3
296.09048	0.5
306.07687	4.4
308.05569	0.5
308.09119	12.5
309.06177	0.7
309.09879	14.0
324.08615	100.0
324.12238	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0865
Annotation	Oxosarcophylline
Peak:m/z	Relative Intensity
56.97828	0.3
62.55777	0.4
80.12045	0.3
89.49262	0.4
125.12846	0.4
185.45844	0.4
188.64464	0.4
212.79701	0.4
227.66681	0.4
250.08511	0.4
278.08008	0.9
279.08914	0.6
280.09671	4.1
294.07608	2.4
296.09241	0.6
306.07538	4.3
308.05878	0.7
308.09143	13.4
309.06113	2.3
309.09888	12.0
324.08618	100.0
324.12280	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42575	0.4
67.05515	0.7
69.07083	0.5
71.94213	0.5
74.37018	0.5
75.63052	0.4
107.08574	0.5
119.08547	0.8
123.70493	0.5
154.12308	4.8
170.11957	0.5
172.03908	6.9
190.04988	100.0
200.72220	0.5
202.05998	0.5
218.04459	6.9
278.08011	1.1
280.09735	4.4
281.06754	0.6
292.09958	2.2
294.00479	0.5
294.07632	2.7
296.09225	2.9
306.07455	0.9
306.20630	0.9
307.19135	0.6
308.05856	1.0
308.09164	14.6
309.09872	21.1
324.08603	40.7
324.12173	51.5
324.21756	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.086
Annotation	Oxosarcophylline
Peak:m/z	Relative Intensity
50.82628	0.2
51.88002	0.2
57.47178	0.2
69.14677	0.2
84.04471	1.0
130.05026	0.3
164.98146	0.2
192.10188	0.3
228.72304	0.2
254.08058	1.1
265.07504	0.2
266.08121	1.1
278.08121	4.7
280.09741	0.2
281.10492	8.8
282.07654	1.6
292.10614	0.2
293.06799	0.4
294.07523	1.4
296.09100	4.3
296.12787	2.7
306.07629	7.7
308.08853	0.3
309.08008	2.0
322.07037	1.2
324.08603	100.0
324.11850	5.4
340.15576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18819	0.8
57.13408	0.7
65.57420	0.9
67.05509	2.3
69.07085	0.9
81.07051	3.9
88.18402	0.8
93.07069	3.8
95.08587	7.2
109.10152	1.9
112.93392	0.9
123.11710	1.0
133.10126	1.1
190.04880	1.4
225.52563	1.1
226.08617	1.4
238.08665	2.2
240.06485	8.4
251.05731	8.9
264.06500	5.2
266.08069	9.8
279.05261	4.2
279.08804	3.5
280.06335	1.7
280.09634	10.7
281.06741	6.2
292.06113	2.0
292.09354	0.9
294.07544	16.4
295.08371	3.6
296.09131	13.2
301.12747	1.1
306.07632	1.3
306.28479	1.2
307.18909	1.0
308.05533	6.4
308.09158	27.5
309.06207	9.0
309.09756	26.1
324.08603	86.7
324.12231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0865
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
61.42575	0.4
67.05515	0.7
69.07083	0.5
71.94213	0.5
74.37018	0.5
75.63052	0.4
107.08574	0.5
119.08547	0.8
123.70493	0.5
154.12308	4.8
170.11957	0.5
172.03908	6.9
190.04988	100.0
200.72220	0.5
202.05998	0.5
218.04459	6.9
278.08011	1.1
280.09735	4.4
281.06754	0.6
292.09958	2.2
294.00479	0.5
294.07632	2.7
296.09225	2.9
306.07455	0.9
306.20630	0.9
307.19135	0.6
308.05856	1.0
308.09164	14.6
309.09872	21.1
324.08603	40.7
324.12173	51.5
324.21756	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0867
Annotation	9-Methoxyaristolactam I
Peak:m/z	Relative Intensity
50.51855	0.5
53.59040	0.4
55.05499	0.6
67.05505	1.9
79.05489	0.7
81.07060	3.2
83.08633	0.6
89.43874	0.4
92.21489	0.6
93.07072	0.8
95.08588	1.1
107.08616	0.9
109.06488	0.8
119.08572	0.6
121.10143	0.7
133.10138	0.7
135.11670	0.6
137.05992	0.6
211.06355	0.6
212.07065	0.7
213.07761	1.1
226.08517	1.0
238.08604	2.6
240.06395	3.8
251.05774	5.5
253.07370	0.7
261.21988	0.8
264.06570	2.0
264.19525	0.6
266.08105	39.3
268.06342	0.5
268.09772	1.8
278.08176	0.9
279.05273	2.9
279.09045	0.6
280.06104	2.9
280.09601	1.1
281.06815	23.9
288.19809	0.5
292.06027	10.2
294.07602	38.6
295.08362	2.5
296.09167	18.0
296.12350	0.6
306.07492	0.6
306.17761	0.9
308.05447	2.0
308.09247	2.0
309.06323	15.0
309.09747	2.5
323.07813	5.9
324.08667	100.0
324.12119	6.9
324.21866	2.7
324.25528	0.9
332.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0867
Annotation	9-Methoxyaristolactam I
Peak:m/z	Relative Intensity
50.19926	0.9
55.01879	1.1
55.05520	1.6
57.07088	1.1
65.81562	1.0
67.05508	10.1
69.07063	5.8
71.08622	6.9
79.05510	2.6
81.07068	18.3
83.08607	4.7
87.30807	1.0
93.07064	4.7
95.08611	19.4
97.10176	1.6
99.08086	2.7
105.07061	1.5
107.08624	1.6
109.10167	12.1
119.95990	1.1
121.10138	5.3
123.11676	2.7
135.11713	2.5
139.11197	1.8
143.96100	1.2
149.13290	1.6
151.14789	1.2
240.06627	1.6
251.05807	5.1
266.08124	30.8
279.05356	2.2
279.08978	1.3
280.09708	6.9
281.06848	21.4
289.25284	1.7
292.06061	10.0
294.07590	36.2
296.09204	13.6
307.26321	18.4
308.05807	2.2
308.09140	25.3
308.12476	2.1
309.06259	10.7
309.09830	19.7
323.07816	5.9
324.08621	100.0
324.12268	81.8
324.28940	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0864
Annotation	Oxosarcophylline
Peak:m/z	Relative Intensity
60.17448	0.3
69.03429	2.0
70.06597	0.5
74.55349	0.3
74.55848	0.4
79.65611	0.4
85.02917	4.2
85.06563	0.4
95.46432	0.4
97.02890	0.9
109.02882	1.5
127.03922	4.2
130.04907	0.4
145.04933	0.6
162.05530	1.8
187.05972	0.8
205.07047	4.6
256.46210	0.4
266.07745	0.5
278.08069	2.8
280.09583	0.5
281.06863	2.9
281.10431	11.0
282.07669	1.8
294.07755	0.4
296.05676	0.9
296.09140	11.9
296.12802	3.2
299.36682	0.5
306.07547	4.8
308.09076	3.4
309.05939	7.3
309.10004	2.7
322.06995	0.6
324.08640	100.0
324.12167	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0869
Annotation	Aristoliukine C
Peak:m/z	Relative Intensity
53.55806	0.5
54.03421	0.6
66.31677	0.5
70.25452	0.5
80.80640	0.6
87.47208	0.6
114.52451	0.6
122.62978	0.7
185.19032	0.7
202.92723	0.7
250.08716	1.6
266.08521	0.7
268.09689	5.2
278.08148	4.0
280.06122	1.0
280.09637	4.3
281.06763	5.0
294.07553	1.5
296.09167	74.5
308.09079	10.2
308.11804	0.7
309.09839	8.0
322.07040	8.8
324.08646	100.0
324.12250	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17448	0.3
69.03429	2.0
70.06597	0.5
74.55349	0.3
74.55848	0.4
79.65611	0.4
85.02917	4.2
85.06563	0.4
95.46432	0.4
97.02890	0.9
109.02882	1.5
127.03922	4.2
130.04907	0.4
145.04933	0.6
162.05530	1.8
187.05972	0.8
205.07047	4.6
256.46210	0.4
266.07745	0.5
278.08069	2.8
280.09583	0.5
281.06863	2.9
281.10431	11.0
282.07669	1.8
294.07755	0.4
296.05676	0.9
296.09140	11.9
296.12802	3.2
299.36682	0.5
306.07547	4.8
308.09076	3.4
309.05939	7.3
309.10004	2.7
322.06995	0.6
324.08640	100.0
324.12167	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1228
Annotation	Rufescine
Peak:m/z	Relative Intensity
58.88829	0.2
66.97792	0.2
81.57629	0.2
88.70248	0.2
174.24922	0.3
234.89458	0.3
266.08005	1.0
280.09515	0.3
281.10190	0.6
294.07599	9.5
308.09082	0.6
309.09946	100.0
324.12259	75.7
337.19235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1228
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
54.32051	0.1
57.29454	0.1
59.81352	0.1
83.23635	0.1
107.19151	0.2
128.75566	0.2
153.22563	0.2
233.74136	0.2
266.08154	1.0
279.95734	0.2
280.09659	1.1
281.10150	0.8
294.07593	10.6
308.09000	1.2
309.09933	100.0
322.15536	0.2
324.12244	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03884	0.3
60.86245	0.2
128.36952	0.3
168.42148	0.3
232.41138	0.3
236.09607	0.3
251.08582	0.3
263.09369	1.4
266.08124	1.9
268.11420	0.3
279.08807	0.6
280.09683	36.7
281.09006	0.5
292.09650	7.8
293.10013	0.3
294.07593	10.1
294.10303	2.9
295.07974	1.0
295.10803	1.0
296.10803	10.9
306.07510	0.5
308.09149	42.3
309.09930	52.5
322.08755	4.2
324.10333	100.0
324.12317	70.0
344.98352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1222
Annotation	Rufescine
Peak:m/z	Relative Intensity
59.32158	1.4
65.45280	1.2
66.75118	1.4
74.60008	1.4
79.18697	1.3
93.73100	1.6
93.80282	1.4
192.63640	1.8
279.09219	2.0
280.09729	33.6
292.09665	7.5
294.07690	8.8
308.09146	45.2
309.09882	43.9
324.12308	100.0
324.37042	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1224
Annotation	Rufescine
Peak:m/z	Relative Intensity
62.11530	0.8
73.38503	0.8
73.44107	0.9
73.80863	0.9
86.15968	1.1
90.10749	1.0
144.09882	1.0
169.70926	1.1
266.08109	1.5
280.09686	32.9
292.03015	1.0
292.09732	8.1
293.10309	1.0
294.07541	12.9
308.09149	33.6
309.09940	41.7
324.12289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1226
Annotation	Rufescine
Peak:m/z	Relative Intensity
50.91184	0.8
52.35395	0.7
70.19305	0.8
132.82428	0.9
228.03201	1.1
266.08090	1.0
280.09705	31.4
292.09735	5.7
294.07584	10.0
308.09149	36.0
309.09915	40.1
324.12326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.123
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
58.06601	0.6
63.61364	0.5
72.08157	0.8
74.06078	0.8
74.39150	0.5
84.04502	3.4
84.08113	1.0
86.09680	0.6
109.38432	0.6
120.08125	2.9
127.40533	0.5
128.12566	0.5
130.04941	1.0
131.08186	0.8
133.91034	0.6
142.03244	0.9
155.62051	0.7
162.05498	1.2
166.08620	0.8
200.24464	0.5
223.10886	0.7
250.08716	0.6
252.09999	0.8
263.09399	7.4
266.07983	4.4
281.10486	100.0
294.07306	0.6
296.12918	34.8
306.07913	0.8
309.08093	16.6
324.11975	51.2
340.15323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43952	0.2
58.06607	0.5
68.24417	0.2
69.71332	0.3
72.99267	0.3
120.09821	0.3
172.66830	0.3
205.57265	0.3
252.06544	0.4
253.07248	0.5
263.09467	2.8
266.07935	2.2
280.09628	1.4
281.06879	9.4
281.10446	44.9
292.10226	0.5
292.13458	0.3
294.07538	0.5
296.09167	24.4
296.12793	15.4
306.07584	1.4
308.09338	1.0
309.02582	0.7
309.06290	29.5
309.09937	8.2
324.08627	100.0
324.12335	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1226
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
50.80037	0.1
54.09270	0.1
58.06573	0.2
63.46231	0.1
64.14614	0.1
64.31264	0.1
74.63112	0.1
79.70725	0.1
80.01789	0.1
182.84041	0.1
253.85753	0.1
265.07391	0.1
266.08063	1.5
278.08231	0.1
280.09686	0.5
281.10345	0.5
294.07602	10.5
296.08899	0.2
308.09192	1.4
309.09940	100.0
311.68539	0.1
324.12274	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1224
Annotation	Rufescine
Peak:m/z	Relative Intensity
66.51653	0.9
69.15498	0.8
70.95562	0.8
81.36031	0.8
87.34149	1.1
88.11348	0.9
95.65018	0.9
96.09640	0.9
117.08123	1.2
160.50793	1.1
181.35791	0.9
202.82774	0.9
280.09705	31.0
292.09650	5.0
294.07660	10.7
300.13928	1.0
308.09131	41.2
309.09921	41.9
324.12292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1228
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
51.57080	0.5
51.75802	0.5
55.66127	0.6
63.87321	0.6
111.26331	0.6
116.58871	0.7
121.06494	1.6
125.42774	0.6
134.06358	0.8
145.91122	0.6
174.08208	0.7
263.06427	0.6
263.09427	1.7
266.08121	1.0
279.09027	0.8
280.09644	32.0
280.12543	1.2
292.09796	5.8
294.07639	10.4
294.10687	1.2
295.11502	5.0
296.10745	1.1
308.09155	38.6
309.09933	52.3
323.10992	6.1
324.12350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1227
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
53.88709	0.5
58.06593	3.2
65.62112	0.6
76.74953	0.6
84.11464	0.7
92.21523	1.3
107.04893	0.6
108.18600	0.6
109.00642	0.6
122.13916	0.7
126.33463	0.5
144.58197	0.6
152.60368	0.7
163.52942	0.7
189.07881	0.8
191.48172	0.7
263.09451	1.3
266.08075	1.2
275.07159	1.1
278.07996	0.8
279.08804	0.9
280.09674	26.5
281.10226	0.8
292.09613	5.0
294.07626	11.9
296.09155	2.9
296.12820	1.0
306.07538	3.8
306.10840	2.1
308.09164	32.1
309.09930	49.8
322.10602	1.0
324.08609	13.6
324.12250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1228
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
67.05511	0.6
70.05331	0.4
72.67482	0.4
74.71758	0.4
79.05526	0.5
81.07082	0.4
91.05515	0.4
95.08574	0.4
97.10157	0.4
109.10158	0.4
110.91615	0.4
113.03033	0.4
181.30409	0.4
220.31406	0.5
266.08002	3.5
279.08939	0.9
280.09674	7.9
292.09839	0.8
294.07584	14.8
296.09186	0.6
305.45905	0.4
306.07632	1.7
306.24307	0.5
307.08334	1.6
308.09146	31.4
309.09872	21.1
311.41806	0.4
324.08609	24.0
324.12241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1225
Annotation	Rufescine
Peak:m/z	Relative Intensity
51.82195	0.7
69.49129	0.7
83.07624	0.8
94.08624	0.7
101.48275	0.8
182.73477	0.8
237.15323	0.9
252.45441	0.8
279.08813	1.7
280.09659	29.7
288.03528	0.9
292.09741	6.9
294.07629	11.2
306.07419	1.1
308.06216	1.1
308.09164	37.2
309.09933	43.2
310.45563	1.0
324.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1226
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
58.06595	1.7
63.20613	0.4
63.90369	0.4
68.09042	0.4
91.50497	0.4
104.73636	0.6
116.58238	0.4
118.17744	0.5
127.01846	0.4
224.70227	0.4
263.09369	1.0
266.08115	0.9
275.06857	0.6
278.08142	0.7
278.11746	0.5
279.08749	0.9
280.09674	27.0
281.10434	0.6
292.09747	3.3
294.07593	9.1
295.08359	0.5
296.09229	0.8
296.12735	0.9
306.07584	3.3
306.10751	0.5
308.09177	33.9
309.09940	40.8
314.58325	0.5
324.08685	8.8
324.12262	100.0
332.29779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.123
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
53.87606	0.4
55.05512	0.8
57.07076	2.3
61.79622	0.4
67.05515	4.1
69.07061	2.3
71.08626	1.0
76.35480	0.4
79.05473	0.5
81.07072	5.4
83.08613	2.1
85.06528	2.2
88.01872	0.4
93.07072	0.8
95.08615	5.8
97.10168	1.0
99.08102	0.7
107.08587	1.6
108.85175	0.5
109.10184	3.3
111.80534	0.4
121.10126	0.9
123.11721	1.0
125.09677	0.6
135.11705	0.9
147.11720	0.5
190.12299	0.6
248.06633	0.5
266.08194	0.6
277.30301	0.5
279.09158	0.7
280.09686	11.8
289.25262	1.0
292.09723	1.1
294.07669	3.1
295.08582	0.6
299.55209	0.5
306.07562	0.6
306.20538	1.9
307.08035	0.5
307.26361	8.0
308.09161	33.7
309.09924	25.0
324.08643	11.9
324.12262	100.0
324.28995	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72805	0.4
53.23602	0.5
61.02932	2.6
63.23709	0.5
67.05499	0.7
69.03432	11.2
70.06579	1.2
71.05016	1.0
73.02874	0.8
81.03428	6.9
84.04510	4.2
84.37215	0.6
85.02909	26.4
85.06538	3.4
87.24905	0.6
92.76610	0.6
94.02377	0.5
95.04932	0.6
97.02875	5.8
99.04446	3.5
103.04011	0.7
109.02191	0.9
109.02877	11.4
109.10207	0.7
123.04427	0.6
127.03909	22.7
130.04994	2.7
134.81018	0.5
136.34067	0.5
145.02840	0.9
145.04996	2.7
149.06023	0.7
162.05534	1.3
169.04956	2.2
177.05473	2.7
187.06018	8.5
188.06985	0.7
205.07071	25.7
263.09448	1.0
266.08124	1.1
271.11713	2.6
278.07962	3.0
280.09839	1.3
281.06906	3.1
281.10431	23.8
282.07474	0.7
296.09195	10.0
296.12817	7.6
306.07455	4.3
308.09253	6.4
309.06299	9.8
309.09573	4.5
324.08630	100.0
324.12244	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1804
Annotation	5-Hydroxy-9-methylstreptimidone
Peak:m/z	Relative Intensity
51.17400	0.7
52.65560	0.7
53.03949	0.8
55.05516	1.3
57.81627	0.7
58.06594	1.1
66.72685	0.7
69.07062	4.4
81.07058	1.4
83.08607	5.2
85.06551	0.9
89.74200	0.8
91.05492	0.9
92.21508	1.1
93.07037	1.0
95.08586	4.2
97.10146	1.1
99.04436	1.5
100.04797	1.2
107.82476	0.8
109.02869	2.0
116.75347	0.9
121.06525	1.3
137.05998	1.8
140.10675	3.0
146.05983	1.2
149.05974	3.9
154.08568	1.3
161.05986	9.7
162.05501	4.1
163.06258	4.0
164.07048	19.4
173.05988	22.5
175.07599	6.9
176.07050	1.9
187.07507	1.7
199.72658	0.9
253.12326	1.8
260.16479	3.9
271.13165	1.1
279.08472	1.3
280.09613	2.1
281.10516	7.4
288.15924	14.0
289.14252	1.8
291.08737	1.0
294.07608	4.7
296.09244	1.9
296.12640	1.6
304.15408	5.7
305.40082	1.0
306.07797	4.2
306.16980	100.0
308.09119	4.0
309.09845	9.6
324.08560	9.4
324.12158	18.9
324.17862	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05510	0.7
57.67382	0.7
67.05492	1.9
69.07069	7.7
79.05495	1.7
81.07062	6.8
83.04978	1.9
84.82680	0.8
86.09705	100.0
86.96276	1.0
91.05457	7.6
93.07050	13.4
95.08595	3.7
105.07031	8.9
107.08603	4.0
109.06533	8.1
109.10130	1.5
111.08059	4.2
116.77438	0.9
117.07039	1.3
119.08566	3.8
120.84976	1.0
121.06457	1.0
121.10123	2.0
123.08067	1.3
128.10722	5.7
131.08559	1.9
132.10194	32.1
133.06516	1.2
133.10123	19.6
147.11646	18.3
149.09589	1.9
151.07523	5.3
151.09952	1.6
151.11174	46.6
157.10135	1.3
175.11169	4.1
193.12228	3.9
207.32336	1.0
218.02785	0.9
222.14835	1.1
246.55640	1.0
251.69597	0.9
260.20123	4.8
264.30856	0.9
278.21115	24.5
280.09650	4.5
294.07550	1.6
306.20642	8.5
308.09082	7.2
309.09784	10.6
324.08502	8.3
324.12167	27.5
324.21664	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01858	0.8
55.05510	0.7
57.67382	0.7
67.05492	1.9
69.07069	7.7
79.05495	1.7
81.07062	6.8
83.04978	1.9
84.82680	0.8
86.09705	100.0
86.96276	1.0
91.05457	7.6
93.07050	13.4
95.08595	3.7
105.07031	8.9
107.08603	4.0
109.06533	8.1
109.10130	1.5
111.08059	4.2
116.77438	0.9
117.07039	1.3
119.08566	3.8
120.84976	1.0
121.06457	1.0
121.10123	2.0
123.08067	1.3
128.10722	5.7
131.08559	1.9
132.10194	32.1
133.06516	1.2
133.10123	19.6
147.11646	18.3
149.09589	1.9
151.07523	5.3
151.09952	1.6
151.11174	46.6
157.10135	1.3
175.11169	4.1
193.12228	3.9
207.32336	1.0
218.02785	0.9
222.14835	1.1
246.55640	1.0
251.69597	0.9
260.20123	4.8
264.30856	0.9
278.21115	24.5
280.09650	4.5
294.07550	1.6
306.20642	8.5
308.09082	7.2
309.09784	10.6
324.08502	8.3
324.12167	27.5
324.21664	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92533	1.3
55.04080	1.6
55.05513	11.5
57.05232	1.4
57.07074	4.2
67.05508	43.0
67.10793	1.4
69.07069	9.0
71.08624	2.0
79.05491	8.8
80.05028	2.4
81.07062	36.2
83.08616	8.9
88.07632	2.5
93.07045	7.2
95.08607	10.5
97.10176	13.6
98.74059	1.6
101.96382	1.8
107.08596	4.0
108.08127	3.2
109.10184	3.2
121.87762	2.0
123.11722	2.6
124.11189	2.2
125.09596	1.9
131.08633	1.8
135.11720	2.0
150.12804	2.9
178.15968	4.0
211.26826	1.8
274.21664	2.5
280.09610	8.8
280.12573	1.8
283.28320	3.3
292.22763	11.6
294.07486	7.4
307.26559	6.6
307.30035	1.9
308.09155	12.2
309.06799	2.1
309.09814	19.6
324.08588	25.6
324.12296	45.5
324.16562	2.8
324.25336	100.0
324.28787	6.0
324.32742	12.4
338.91376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33239	1.7
55.05517	3.7
56.64928	1.9
57.07080	4.8
57.09707	1.8
59.34547	1.9
61.28851	2.2
62.06096	100.0
63.69165	1.5
65.71871	1.5
67.05514	25.8
67.81142	2.0
69.07065	11.2
70.55383	1.7
71.08604	2.3
73.70599	2.7
73.88350	1.7
79.05476	7.5
81.07056	35.1
83.08626	8.8
85.10165	2.0
93.07043	4.5
95.08595	29.0
97.06515	2.6
97.10180	2.2
105.07021	3.1
107.08575	11.6
107.48922	1.9
109.10168	18.5
113.09655	2.6
117.20586	1.9
121.10124	4.7
123.11727	4.9
133.10121	3.6
135.11720	3.3
139.11160	1.9
161.13144	2.2
264.40451	2.0
280.09726	8.3
294.07550	2.4
306.27872	8.9
307.26328	27.2
308.09155	29.5
309.06021	3.6
309.09808	29.0
312.71497	1.9
324.08475	30.9
324.12262	90.5
324.28928	52.1
349.72906	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05523	11.5
57.03416	2.1
57.07082	23.0
57.38581	1.2
61.22805	1.3
67.05185	2.5
67.05511	42.1
69.07064	18.3
71.01731	1.2
71.04974	3.0
71.08638	2.3
79.05484	9.8
81.07059	59.8
83.04990	2.2
83.08610	15.1
85.06531	17.2
91.05479	3.0
93.07047	20.1
95.08607	61.7
97.06548	1.8
97.10184	12.0
99.08129	1.7
105.07029	2.8
107.08579	14.7
109.10168	33.6
111.08077	2.6
111.11739	2.3
113.09676	3.0
119.08545	2.2
121.10137	14.4
123.11687	10.2
125.09600	6.3
131.08521	1.5
133.10146	6.2
135.11681	8.1
137.13269	6.8
145.10107	2.6
147.11690	5.7
149.13280	2.3
154.46791	1.6
163.14789	2.3
177.16507	1.5
179.17973	1.6
219.17563	1.5
271.24384	1.9
271.92401	1.7
280.09680	21.5
289.25198	11.3
292.09445	1.6
294.07535	9.0
306.17496	1.5
306.27905	10.6
307.26282	67.8
308.09119	28.6
309.09909	39.3
324.08585	29.5
324.12219	100.0
324.28912	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	27.8
57.03449	3.0
57.07079	41.7
62.92082	2.8
67.05509	59.6
69.07068	24.0
71.08631	35.1
79.05500	17.7
81.06617	4.8
81.07063	90.3
83.08617	28.8
85.06573	2.9
86.80413	2.7
91.05486	4.2
93.07036	27.1
95.08618	61.7
97.06521	7.2
97.10184	16.2
99.27594	3.1
105.07034	5.2
107.08601	28.1
107.10647	3.2
109.10157	31.0
111.08080	5.1
117.07012	3.9
121.10130	24.9
122.76139	2.8
123.11716	15.2
131.08548	3.4
133.10149	24.2
135.08047	3.8
135.11717	6.9
141.12727	18.2
147.11594	2.9
149.13248	12.4
163.14810	5.5
177.16260	3.3
181.15837	5.9
216.01068	3.3
227.20120	3.0
271.24298	4.8
280.09668	11.8
289.25305	12.2
294.07602	3.6
306.27722	3.2
307.26263	100.0
308.09161	16.2
309.09692	27.6
324.08615	11.6
324.12146	59.6
324.28925	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50749	2.3
55.01863	3.3
55.05514	12.3
57.07080	44.2
58.98563	2.1
59.05006	5.5
60.09042	2.2
67.05223	2.7
67.05517	36.0
69.07098	17.6
71.04984	2.7
71.08592	2.8
74.97043	2.3
79.05501	12.3
81.07059	52.0
83.04989	5.3
83.08631	20.7
89.62427	2.7
89.77251	2.6
91.05485	4.0
93.07042	12.7
95.08608	43.5
97.06529	5.5
97.10166	4.8
99.84563	2.4
104.21559	2.6
105.07008	5.6
107.08599	15.5
109.10152	30.6
119.08588	4.9
121.10125	23.0
122.09597	2.3
123.11676	5.6
127.11202	10.9
131.08537	4.7
135.11687	5.5
138.12671	2.5
147.11673	13.5
163.11101	2.9
202.82686	2.7
208.13380	3.4
279.26907	3.1
280.09683	15.1
289.25330	10.7
292.10385	2.9
294.07620	3.8
306.20981	2.6
306.27820	3.9
307.26321	73.2
308.05835	3.5
308.09073	30.1
309.09793	35.8
324.08591	21.9
324.12158	100.0
324.22049	2.5
324.29065	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57322	1.6
55.01883	2.5
55.05522	20.7
56.40167	1.9
57.07085	17.2
58.07411	4.1
67.05505	30.9
69.07066	49.9
70.06610	2.4
70.07399	12.1
71.08628	5.1
72.08955	2.2
79.05496	5.0
81.07066	56.7
82.07386	3.0
83.04981	3.2
83.08620	41.6
84.08176	6.6
84.08937	8.7
85.10180	4.0
86.06098	4.0
87.27683	2.1
93.07060	13.0
95.08603	57.6
96.08120	1.9
96.08892	2.5
97.06547	8.9
97.10163	25.2
98.10532	10.5
99.78162	2.0
100.07626	10.2
104.51308	2.2
105.07061	2.6
107.08611	13.2
108.08849	2.8
109.10161	16.9
111.08094	4.2
111.11712	4.9
114.09186	4.1
119.08567	2.8
121.10145	12.1
122.10519	4.3
123.11723	10.1
128.10674	2.8
128.14348	2.5
129.11038	3.0
135.11697	11.3
136.12042	3.1
140.14339	3.3
142.15880	3.0
150.13579	3.2
163.14841	3.0
165.16269	2.1
175.85027	2.1
240.73615	2.0
248.24535	4.9
266.25574	14.0
282.28015	16.1
283.28235	100.0
306.27994	4.8
307.25946	3.7
308.09000	4.2
309.09833	3.0
324.08786	3.0
324.12195	24.0
324.28500	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93724	3.2
53.39449	2.8
53.55432	2.6
55.01886	4.7
55.05524	7.6
57.07077	25.3
61.38012	2.7
62.27393	2.7
67.05516	58.3
69.07062	32.0
71.08640	15.2
77.99873	2.8
79.05504	6.6
81.07063	90.3
83.05008	3.5
83.08649	17.3
84.60622	3.1
90.80127	3.1
93.07069	20.8
95.08598	72.2
97.06548	4.9
97.10165	6.0
107.08630	16.2
109.10165	39.9
121.10165	15.8
123.11733	19.4
125.09557	3.3
133.10118	5.4
135.11734	13.7
137.13237	4.0
138.53806	3.6
139.11189	12.6
145.10141	6.0
147.11664	5.2
149.13292	7.0
209.49153	3.3
279.26831	4.3
280.10153	3.7
307.26263	100.0
309.10098	5.9
324.08737	3.4
324.12335	30.3
324.29010	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64380	1.5
55.01874	12.8
55.05515	10.2
57.07082	4.4
60.38756	1.9
62.58736	1.8
63.85201	2.0
67.05511	35.2
69.07069	47.6
71.04988	2.6
79.05492	12.6
81.07064	50.5
83.04985	4.0
83.08633	23.7
85.06536	3.4
93.07037	17.2
95.08613	45.5
97.06531	14.9
97.10175	4.7
107.08572	15.2
109.10155	23.3
111.82735	2.1
119.08597	2.8
121.10146	19.3
123.11713	11.6
124.94696	1.9
135.10750	2.4
135.11685	18.2
149.09639	2.7
149.13258	4.1
151.04059	2.1
153.12735	19.6
163.14798	3.8
181.12144	2.0
181.15907	2.3
271.24149	4.1
279.26846	3.4
289.25250	9.3
307.26297	100.0
324.12183	3.9
324.28995	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
51.10764	1.9
52.36832	2.0
53.47681	2.0
55.01881	12.1
55.05510	5.9
57.07089	18.4
59.53773	2.0
67.05511	46.8
69.07076	47.7
71.08624	13.4
79.05494	12.1
81.07066	59.6
81.30269	2.2
83.04984	11.2
83.08621	25.5
85.10189	3.5
91.05492	4.4
93.07050	31.2
95.08614	57.8
97.06559	11.1
97.10166	4.9
99.08115	2.9
107.08598	22.2
109.10156	31.9
109.36843	2.3
111.08064	3.2
119.08606	5.7
121.10143	23.6
123.11709	14.3
131.08559	5.0
133.10088	4.2
135.11693	19.9
137.13261	9.5
145.10147	4.0
147.11722	3.2
149.13332	2.9
153.12712	18.6
197.15488	3.1
216.54825	3.0
241.64334	2.5
279.26849	3.7
280.09671	3.7
289.25235	14.1
307.26303	100.0
308.09418	5.8
309.09772	13.4
324.08655	10.0
324.12204	37.2
324.28983	76.8
343.46304	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43436	2.0
55.01875	12.8
55.05519	16.4
57.07070	9.0
62.06092	26.3
67.05512	47.2
67.65121	1.9
69.07072	46.0
71.05000	3.6
71.08627	4.0
72.24361	1.8
73.06529	1.8
79.05486	17.0
81.07064	59.1
83.04964	7.4
83.08624	30.1
85.06532	1.9
88.49162	2.2
93.07045	22.7
95.08611	68.5
97.06525	10.4
97.10165	15.3
99.08075	2.8
105.07023	3.2
107.08602	15.4
109.10149	36.3
111.11749	2.1
113.09641	2.3
119.08551	3.6
121.10146	18.3
123.11717	11.5
131.08559	2.6
133.10150	8.3
135.11687	10.6
137.13258	3.3
139.11179	17.1
147.11671	3.4
149.13251	4.7
151.14796	4.5
163.14873	3.2
167.14304	10.6
175.14856	2.3
175.66974	2.2
234.23637	2.0
244.06253	2.2
279.26810	3.4
280.09708	4.2
289.25177	9.4
307.26303	100.0
308.09161	10.0
309.09793	12.4
324.08572	7.7
324.12186	48.4
324.28964	88.2
345.32153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48322	2.0
51.75975	2.1
53.22686	2.0
55.01879	16.9
55.05512	28.2
57.07077	17.7
62.06089	83.3
67.05503	57.1
69.07066	43.3
71.08609	6.1
79.05488	18.3
79.80496	2.9
81.07057	74.1
83.04982	6.1
83.08613	51.8
85.06568	3.6
91.05486	4.0
92.21526	4.9
93.07030	33.8
95.08595	69.2
97.06538	11.6
97.10159	28.7
99.08120	3.1
105.07032	4.9
107.08592	38.6
109.10172	40.2
111.08092	4.5
111.11717	4.9
121.10136	32.0
123.11713	5.4
125.09599	4.0
135.11644	20.2
141.15800	3.0
145.10129	3.1
149.13239	7.3
163.11261	4.6
163.14818	4.4
170.11798	3.2
173.13237	4.8
181.15843	18.9
181.43010	2.9
186.96886	3.4
224.74678	2.8
240.77437	3.0
253.33090	3.1
261.25754	5.8
271.24255	3.6
289.25278	19.5
307.26291	96.7
308.09186	4.4
309.09549	6.3
314.33023	3.2
317.86844	3.3
324.08499	11.0
324.12210	32.1
324.28909	100.0
327.14099	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2893
Annotation	Linoleoyl Ethanolamide
Peak:m/z	Relative Intensity
50.08817	0.7
55.05508	6.0
57.07063	4.7
61.37469	0.9
67.05496	6.7
69.07071	14.3
70.06593	1.4
71.07817	1.0
71.08613	1.2
81.07055	14.5
83.08615	6.5
84.08131	1.4
85.10185	1.3
92.57259	1.0
93.07033	1.9
95.08606	11.6
97.10190	4.4
107.08580	2.0
109.10159	5.8
119.08554	1.3
121.10163	1.9
121.63264	1.0
123.11700	1.9
135.11673	2.4
140.14371	1.3
149.51408	1.1
170.88120	1.0
236.30424	1.1
265.25018	1.4
278.28262	1.2
306.27841	6.7
309.09970	2.1
324.08585	5.5
324.12186	3.9
324.28946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98761	1.1
53.81429	1.4
55.05508	6.8
57.03448	2.9
57.07082	67.0
60.65510	1.2
66.72781	1.3
67.05511	67.9
69.07086	11.0
79.05481	10.4
80.88431	1.2
81.07063	100.0
83.04948	1.7
83.08636	14.8
85.06534	1.9
91.05468	5.3
93.07021	8.9
95.08607	99.2
97.06505	2.4
97.10154	7.5
105.07038	5.9
107.08606	8.2
109.10155	54.9
119.08588	7.1
121.10137	10.5
123.11722	26.9
127.11212	18.9
133.10118	3.0
135.11673	7.6
137.13237	5.8
137.91504	1.3
145.10135	2.7
147.11703	14.9
149.13277	2.1
151.14862	2.3
155.14314	5.8
159.11688	1.9
161.13275	1.6
163.14838	5.3
167.54066	1.5
169.12273	2.1
173.13271	2.6
181.15855	3.4
187.14749	2.1
199.00685	1.8
208.27521	1.4
221.05481	1.5
237.18294	1.7
289.25186	6.6
293.63837	1.4
307.26291	91.6
309.09711	1.5
324.12192	6.3
324.28952	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	27.8
57.03449	3.0
57.07079	41.7
62.92082	2.8
67.05509	59.6
69.07068	24.0
71.08631	35.1
79.05500	17.7
81.06617	4.8
81.07063	90.3
83.08617	28.8
85.06573	2.9
86.80413	2.7
91.05486	4.2
93.07036	27.1
95.08618	61.7
97.06521	7.2
97.10184	16.2
99.27594	3.1
105.07034	5.2
107.08601	28.1
107.10647	3.2
109.10157	31.0
111.08080	5.1
117.07012	3.9
121.10130	24.9
122.76139	2.8
123.11716	15.2
131.08548	3.4
133.10149	24.2
135.08047	3.8
135.11717	6.9
141.12727	18.2
147.11594	2.9
149.13248	12.4
163.14810	5.5
177.16260	3.3
181.15837	5.9
216.01068	3.3
227.20120	3.0
271.24298	4.8
280.09668	11.8
289.25305	12.2
294.07602	3.6
306.27722	3.2
307.26263	100.0
308.09161	16.2
309.09692	27.6
324.08615	11.6
324.12146	59.6
324.28925	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.3
55.05513	17.5
57.07079	13.6
58.14238	2.8
62.06088	21.1
67.05517	40.4
69.07072	35.2
71.08629	4.4
74.67024	2.7
79.05497	24.5
81.07066	62.8
81.29784	2.6
83.04983	6.7
83.08635	36.8
89.69050	3.0
93.07030	27.3
95.08599	52.0
97.06501	10.8
97.10163	17.3
107.08591	21.1
109.10166	18.0
115.48517	3.5
119.08537	3.9
119.95913	3.2
121.10128	37.7
123.11692	11.6
135.11708	13.3
147.11707	4.5
148.61565	3.3
149.13275	14.5
167.14276	16.1
176.69307	3.7
183.71838	3.1
289.25241	6.0
307.26315	100.0
308.09232	17.8
309.09808	16.5
312.22882	3.9
324.08795	5.2
324.12250	54.8
324.29034	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77632	2.7
74.89299	2.9
76.17542	2.8
86.09702	14.3
92.58556	3.1
95.08649	4.2
151.71344	3.5
155.89407	3.2
190.05063	4.9
264.06647	6.4
280.09689	5.0
294.07611	4.7
307.26340	4.2
308.09219	16.9
309.10120	28.7
324.08624	100.0
324.12189	62.3
324.32617	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19158	0.6
55.05524	3.9
57.07087	9.2
57.48892	0.8
67.05508	1.9
69.07075	14.3
71.08636	31.6
72.04503	1.1
81.07077	6.1
83.08624	7.8
85.10154	1.4
86.09704	1.6
88.11272	40.1
93.07032	1.2
95.08602	4.8
96.25552	0.8
97.06525	3.4
97.10167	5.3
100.07623	1.6
106.73970	0.9
107.08593	1.8
109.10180	1.4
111.08049	0.9
114.09181	2.0
121.10128	1.3
125.09628	0.9
135.11761	1.6
149.13217	1.1
156.13826	4.3
170.15373	5.1
184.16980	3.3
198.18463	1.6
212.20074	1.1
226.21609	1.2
235.04800	0.9
244.85742	1.0
283.28259	5.1
307.26215	1.4
308.09149	1.6
309.09943	1.9
324.08630	3.5
324.12262	10.2
324.29379	3.6
324.32599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50225	7.1
72.84966	7.4
111.19350	8.1
220.02156	18.6
221.01726	33.7
222.01953	100.0
223.00067	9.9
238.96410	9.1
261.03125	36.9
276.98178	10.3
283.00528	15.7
301.97760	58.3
302.01920	10.6
325.01764	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
60.70535	1.0
61.02916	7.2
69.03413	5.3
69.17081	1.1
70.06599	1.2
73.02930	2.0
81.03423	1.4
85.02911	21.8
91.03925	7.4
97.02892	9.5
99.04437	1.4
109.02878	1.7
127.03892	6.8
135.04355	1.4
145.04970	8.5
148.07635	1.1
162.05482	1.7
163.05931	6.5
193.13379	2.0
307.08173	1.1
307.16489	2.3
310.05255	1.4
325.08884	100.0
325.13678	11.4
325.17633	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03961	0.6
53.76407	0.5
62.88773	0.6
63.03173	0.6
63.03883	0.8
63.69464	0.5
69.03434	2.6
70.06584	0.8
71.86546	0.5
74.76279	0.5
81.03415	5.2
85.02912	6.1
86.06066	0.7
87.04514	0.7
90.07090	0.6
91.05502	1.0
97.02876	0.9
98.03056	0.7
99.04458	2.7
109.02879	2.6
117.03377	2.4
119.04967	0.8
121.06516	3.7
122.06036	1.2
122.06836	0.8
124.42765	0.7
127.03920	1.0
133.02850	1.4
135.04433	9.0
140.07079	3.7
145.02855	9.9
149.06058	0.7
154.04987	5.0
163.03899	100.0
175.03912	2.7
181.04942	2.7
195.05457	0.7
207.06584	1.4
239.09276	1.0
261.54507	0.7
265.08524	0.9
279.06580	1.1
279.13586	0.9
282.10870	2.8
289.11957	0.7
307.08145	3.3
307.10922	3.1
310.10345	0.9
325.09201	6.6
325.11914	79.2
325.18048	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1068
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01876	2.6
56.70594	2.2
67.05504	4.7
67.09769	2.2
70.91990	2.1
76.30124	2.4
79.05504	2.7
83.05042	2.7
86.83945	2.5
91.05476	5.4
105.06997	2.9
107.08595	11.1
109.10152	10.0
133.10144	4.8
136.16275	2.6
137.05949	12.1
149.05992	2.9
158.03647	2.6
186.03099	16.9
201.05394	21.1
205.06552	20.6
222.06747	5.2
232.85143	2.6
233.06018	22.8
237.09084	13.1
247.07532	3.3
249.05304	3.2
250.06264	19.1
261.05347	3.0
264.07773	11.1
265.08545	29.5
267.06534	5.1
278.05728	15.2
281.09998	3.6
282.08929	10.0
292.07260	30.6
293.08047	28.5
294.08948	3.1
307.09686	37.8
309.05826	2.9
309.09448	17.1
310.10474	12.9
325.10165	100.0
325.19974	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55658	0.8
56.90657	0.8
57.03445	1.7
61.02935	9.4
69.03429	13.1
71.04992	1.2
73.02918	2.1
81.03424	7.8
84.08124	0.9
85.02908	100.0
86.49546	1.1
87.04465	3.7
91.03951	4.5
93.71864	1.0
97.02892	21.6
99.04441	5.9
109.02878	10.2
127.03918	26.8
145.04968	33.5
163.05995	11.2
325.13553	1.0
341.15994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40265	0.6
51.61242	0.5
52.02715	0.6
53.03951	0.6
55.01875	2.7
57.03436	4.3
58.06595	0.8
61.02932	10.7
69.03435	15.3
70.06618	0.9
71.05004	2.8
71.27798	0.5
73.02935	4.7
81.03439	4.8
85.02908	100.0
87.04469	3.5
91.03952	8.3
97.02888	22.3
99.04458	5.8
109.02903	6.8
115.03918	0.8
121.06451	0.7
127.03914	25.9
132.12700	0.6
145.04961	32.4
154.99202	0.6
163.03915	4.8
163.05963	9.3
229.05356	0.7
262.35428	0.7
309.09473	2.4
310.10117	2.4
325.12555	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80442	0.4
55.79951	0.5
59.25981	0.4
97.78244	0.5
99.71264	0.5
163.03911	2.7
189.48671	0.6
205.25014	0.6
250.36208	0.6
262.08350	0.6
264.09872	0.9
267.08575	1.3
280.09521	4.8
281.10007	27.3
293.10022	6.1
295.07938	10.2
296.08771	0.6
308.09113	1.9
309.09491	41.0
310.10254	43.8
325.12643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80442	0.4
55.79951	0.5
59.25981	0.4
97.78244	0.5
99.71264	0.5
163.03911	2.7
189.48671	0.6
205.25014	0.6
250.36208	0.6
262.08350	0.6
264.09872	0.9
267.08575	1.3
280.09521	4.8
281.10007	27.3
293.10022	6.1
295.07938	10.2
296.08771	0.6
308.09113	1.9
309.09491	41.0
310.10254	43.8
325.12643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12402	0.4
64.17020	0.4
90.45145	0.5
92.79342	0.4
200.47206	0.6
233.34152	0.5
260.94974	0.6
267.08405	0.7
295.07916	9.5
309.09839	6.1
310.10278	100.0
325.12604	77.2
325.16776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12402	0.4
64.17020	0.4
90.45145	0.5
92.79342	0.4
200.47206	0.6
233.34152	0.5
260.94974	0.6
267.08405	0.7
295.07916	9.5
309.09839	6.1
310.10278	100.0
325.12604	77.2
325.16776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57872	0.2
59.96294	0.3
61.81977	0.3
92.84533	0.3
121.20004	0.3
140.90654	0.4
164.46832	0.3
264.09586	0.6
267.08444	0.5
280.09421	2.9
281.10001	19.6
281.34418	0.3
293.10043	4.8
294.07660	0.5
295.07877	8.8
296.08823	0.4
296.60904	0.3
308.09106	1.7
309.09509	29.8
310.10260	52.7
325.12613	100.0
333.80377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70724	0.5
55.01879	0.6
57.03444	0.7
61.02925	1.1
61.79131	0.5
64.39163	0.5
64.51678	0.6
69.03436	5.2
71.04988	1.0
73.02915	0.7
78.03748	0.6
79.36427	0.5
81.03426	9.9
85.02886	4.1
89.03916	0.7
97.02839	0.6
102.50949	0.8
117.03401	0.9
127.03992	0.9
133.02844	0.8
135.04420	4.8
137.05948	1.1
145.02827	8.0
163.03897	56.8
173.07057	1.1
175.08688	1.4
181.04948	0.7
191.08157	18.7
239.09219	0.7
250.08585	1.2
251.09297	1.3
264.10205	1.4
267.08853	5.9
282.11221	89.2
292.09619	1.4
295.07944	0.8
297.13388	0.7
303.27475	0.7
305.59271	0.7
307.08041	3.4
307.12991	5.4
307.17136	0.7
310.10724	100.0
324.12302	0.9
325.13071	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03964	1.1
55.01884	2.2
57.03448	1.9
57.58176	1.1
57.60035	1.1
67.25466	1.0
69.03166	0.9
69.03444	14.9
71.04996	7.2
81.03431	14.6
85.02920	4.5
99.04440	9.1
121.06474	1.2
133.02841	13.6
135.04433	1.5
135.28838	1.0
137.05992	1.5
147.09207	2.3
163.03909	7.1
173.07176	1.4
175.03937	1.7
175.08641	10.1
180.76385	1.1
191.08168	100.0
201.05417	1.5
201.95313	1.3
205.06412	1.5
250.06296	1.4
250.08633	1.3
267.08838	4.9
281.10114	1.2
282.11252	53.2
307.12888	27.7
307.17377	5.1
310.10730	69.8
316.11719	1.5
325.09122	5.3
325.13446	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82366	0.5
57.03452	0.9
61.02921	3.9
64.26382	0.6
68.05028	1.5
69.03421	5.5
69.98612	0.5
71.05003	1.0
72.08156	1.1
73.02905	1.2
74.06033	0.6
81.03424	1.2
84.04494	4.1
85.02906	44.0
91.03964	1.6
91.05495	0.9
91.85888	0.6
93.07050	2.6
96.04476	5.3
97.02889	6.9
98.06061	1.6
99.04446	1.4
103.05474	1.4
109.02901	5.3
110.95381	0.8
112.64043	0.7
114.05526	17.3
114.10303	1.6
115.08767	2.1
121.06499	100.0
127.03917	11.1
130.05002	25.0
135.04407	1.2
137.05913	0.7
138.09149	18.9
142.04999	25.3
145.02869	2.9
145.04950	12.6
157.10864	10.2
162.05475	0.9
163.03900	16.8
163.05942	6.1
167.10492	0.7
177.05431	13.1
193.73111	0.7
250.10631	9.9
250.12622	0.6
279.13336	0.8
307.13535	1.4
307.17661	2.9
325.10577	4.0
325.13983	18.9
325.18588	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
55.24350	1.7
79.90924	1.8
91.62420	1.7
105.07012	8.4
107.04993	2.5
121.06475	2.4
129.07019	7.6
133.06520	4.6
136.05196	12.4
137.05965	11.9
151.07541	78.4
155.04933	10.6
158.03490	2.4
159.08051	11.3
161.05975	13.1
163.07599	7.3
175.07495	3.6
187.07544	32.2
201.05493	2.7
203.08530	3.5
205.06480	3.1
205.10098	2.7
218.07239	2.5
219.08063	8.2
221.09895	2.1
231.07925	3.0
232.08791	2.4
233.06035	3.6
233.09615	12.3
234.10390	27.1
235.07465	2.7
237.08984	2.4
247.07512	9.3
249.09048	2.3
250.09938	7.9
251.10690	3.1
261.09116	12.1
262.09894	20.8
263.10690	3.6
265.08994	3.0
265.12228	70.5
267.10123	3.2
277.08469	3.7
278.05890	2.1
278.09332	10.0
279.10187	24.7
281.11819	2.4
292.07269	7.5
293.08173	8.2
293.11688	46.6
294.12506	20.8
295.09668	8.2
297.11246	2.6
297.57153	1.9
307.09460	4.3
309.09943	1.6
310.12329	5.8
313.27719	2.3
325.14520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
55.05519	3.5
57.03432	2.6
66.54070	2.4
67.05505	6.3
69.03431	4.8
71.04987	3.0
81.03465	3.9
83.08624	2.9
83.66734	2.4
85.02927	22.3
86.26243	3.0
91.05491	5.3
95.04993	5.3
95.08604	4.0
97.10196	3.2
105.07010	4.7
107.04948	6.1
107.08611	5.1
109.06482	4.2
109.10127	3.3
113.05975	3.8
119.08630	5.5
121.06470	4.3
123.08035	4.0
125.09613	4.6
127.03841	4.0
129.07016	12.2
133.06499	5.5
135.08057	7.1
136.05197	13.8
137.05997	5.9
151.07550	70.2
153.09128	4.8
155.04884	3.6
159.08090	11.6
161.05989	17.5
163.07536	3.6
175.07472	3.8
187.07564	29.0
198.42487	2.7
205.06586	3.7
218.07401	3.6
219.08153	3.5
233.09596	13.3
234.10297	21.8
235.07655	4.6
238.88664	3.3
246.06660	3.5
250.06015	3.2
250.09941	7.1
261.09052	6.6
262.09875	16.9
263.07117	3.1
263.10391	3.3
265.08945	6.9
265.12219	58.6
267.34802	3.6
269.15433	3.6
271.16852	3.6
278.09363	14.7
279.10184	18.2
289.17896	27.1
293.11807	44.2
294.12436	18.6
295.09897	4.4
307.18958	11.9
309.09454	20.3
310.10321	18.9
312.15314	3.1
325.09232	18.6
325.14795	100.0
325.20959	14.2
337.18546	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03945	1.4
55.01867	1.3
55.05519	2.1
56.93913	1.0
65.25431	1.2
67.05510	7.6
69.03446	1.1
69.07076	2.5
69.47740	1.0
71.05016	1.4
73.16966	0.9
77.75497	1.1
79.05502	22.7
81.04433	1.2
81.07063	100.0
83.04992	1.8
83.08618	1.3
85.02898	1.3
85.06564	1.3
91.05476	4.4
93.07038	4.9
95.04944	1.3
95.08629	7.6
97.06544	1.9
97.10169	5.3
105.07035	4.8
107.04968	5.9
107.08604	5.8
109.02902	4.7
109.06522	87.3
109.10159	6.5
113.05943	1.1
117.07015	2.4
119.08584	7.9
121.06505	1.6
121.10174	2.5
123.04417	8.3
125.09560	3.7
131.08545	2.1
133.10144	4.2
135.08069	10.5
135.11690	1.3
137.05948	1.6
137.09651	2.1
139.07529	1.8
143.08612	1.5
145.10136	1.9
147.08046	1.6
151.07542	6.7
157.10107	1.3
159.07985	1.6
161.09616	5.3
163.07486	2.2
179.10710	4.1
183.98486	1.1
225.11156	2.7
243.17508	5.9
261.18521	6.7
271.16989	5.5
289.17990	47.6
307.18982	22.5
325.09042	5.1
325.12491	1.5
325.20142	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
55.01892	4.6
55.05513	22.0
57.03439	18.8
59.04963	3.4
65.50938	3.6
67.05511	33.6
69.07059	18.1
69.07506	2.8
70.08342	3.7
71.04987	6.4
75.95065	3.7
79.05489	22.3
81.07053	35.6
83.04988	56.3
83.08630	8.1
85.02907	5.5
85.06522	3.7
88.55515	3.5
90.44381	3.7
91.05483	24.7
93.07047	29.1
95.04966	23.1
95.08597	31.7
96.89173	4.1
97.06525	10.0
97.10160	7.6
99.04452	25.2
102.65932	3.9
103.67002	4.0
105.07038	28.5
107.04919	6.4
107.08607	26.0
109.06524	44.1
109.10165	32.0
111.08072	7.8
113.06000	14.5
117.06949	6.4
119.08579	37.0
121.06505	16.4
121.10165	5.7
123.08085	46.7
125.09520	4.7
131.08566	23.0
133.10133	36.1
135.08076	20.4
135.11707	6.3
137.06000	33.1
137.09593	8.0
143.08569	7.1
145.10161	21.1
147.08066	4.8
149.09618	5.8
151.07475	6.2
151.11165	6.0
153.09123	16.2
157.10112	15.7
159.11681	15.6
165.12709	9.2
169.10063	7.3
171.11656	6.0
183.11684	7.8
191.10619	5.8
193.09831	4.8
195.11728	5.3
199.11308	4.6
207.11580	5.0
235.14844	15.9
241.15761	4.8
250.17198	4.8
271.16901	8.0
288.38440	5.4
289.17932	56.8
293.19058	31.1
307.19049	34.1
325.09091	5.6
325.21078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65112	1.3
52.04012	1.3
52.23948	1.4
53.85463	1.3
55.01873	1.9
55.05506	2.1
67.05499	10.0
69.07085	2.1
71.04984	2.7
79.05487	5.9
81.07071	7.5
83.04980	3.3
84.87768	1.4
85.02949	2.1
85.06522	2.0
86.09708	19.0
87.10048	11.4
91.05483	6.9
92.51916	1.6
93.07044	9.5
95.04948	1.8
95.08608	6.8
97.06525	5.8
97.10184	1.6
105.07034	10.2
107.08604	7.8
109.06509	6.0
109.10146	2.7
111.08090	3.6
117.06925	1.7
119.08586	11.5
121.10169	2.7
123.08051	5.5
131.08539	8.2
132.10243	5.7
133.10162	8.8
134.10464	1.7
135.08063	7.8
135.11690	1.7
137.09642	2.5
141.06958	1.8
142.07753	1.7
143.08575	3.3
145.10110	3.6
147.08055	1.8
148.12044	2.4
151.11147	10.0
152.11517	9.3
155.08543	2.2
157.10114	18.2
159.11655	7.8
163.11160	2.2
169.10091	3.3
171.11705	2.5
181.10168	2.8
183.11732	9.9
184.27817	1.6
191.14313	2.6
193.10138	5.6
195.11754	2.8
207.11746	6.0
209.13214	6.2
213.12689	1.5
215.14363	2.2
221.13226	1.4
223.14757	2.0
233.13263	1.9
233.19064	1.6
235.14827	9.9
236.11943	2.7
243.98845	1.6
247.05446	1.6
249.16492	5.6
250.17105	9.7
251.14299	23.1
251.17941	6.0
253.15767	15.0
267.17352	2.1
271.17157	2.1
278.16541	5.7
279.21500	5.7
289.17996	6.1
290.21057	2.4
293.18988	54.7
325.12369	8.0
325.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2158
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
52.29710	1.0
55.05510	4.7
55.61957	1.0
57.03429	1.3
59.50674	1.1
66.00481	1.2
67.05510	7.5
69.07082	3.1
71.04999	2.8
77.47370	1.1
78.36450	1.1
79.05497	2.8
80.49399	1.2
81.03429	1.2
81.07064	9.4
83.04974	2.4
83.08607	2.4
85.06549	1.4
86.09702	11.2
87.10058	5.5
91.05510	5.4
93.07063	9.8
95.04948	1.9
95.08613	6.6
97.06548	6.4
105.07053	11.9
107.08630	9.3
109.06535	6.6
109.10163	5.3
111.08088	2.3
114.56602	1.5
116.89274	1.6
117.07062	2.1
119.08604	11.1
121.06506	1.9
121.10158	4.9
123.08044	4.8
129.07033	1.2
131.08574	9.3
132.10153	1.3
133.10158	8.3
135.08089	6.0
135.11768	1.9
137.09625	2.0
141.03590	1.1
143.08591	6.3
145.10118	7.0
146.91698	1.3
147.08069	1.4
147.11681	1.8
148.36250	1.1
149.09650	1.3
151.11171	2.5
155.08498	4.2
157.10139	17.0
159.08095	2.2
159.11702	6.0
163.11229	4.7
169.10159	2.9
171.11638	2.3
179.08629	1.6
179.21368	1.3
181.10216	2.0
183.11694	10.5
191.14278	1.7
193.10159	6.5
194.11122	1.6
195.11778	2.5
207.11681	5.8
208.12535	1.5
209.13348	10.2
211.11076	1.5
215.14325	4.9
220.12685	2.1
221.13333	2.3
227.12808	7.9
235.14839	10.1
236.12018	2.2
249.16357	5.5
250.17265	6.5
251.14284	26.5
251.17966	8.3
253.15834	17.7
256.23349	1.5
267.17490	1.6
275.17883	1.5
278.16660	2.8
289.18057	5.9
293.19009	51.9
307.19083	6.1
325.21683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.05519	2.7
55.60192	2.3
57.07076	3.9
58.86427	2.5
67.05501	14.1
69.07057	3.1
79.05489	6.0
81.07062	18.5
83.08619	3.9
91.03944	4.1
91.05492	4.4
93.07029	15.7
95.08595	19.5
97.10184	4.0
105.07034	5.8
107.08585	18.9
109.10173	11.6
111.08054	5.2
119.08577	15.3
121.10109	11.7
127.03915	3.6
131.08591	6.7
133.10115	5.7
135.08083	4.4
135.11656	4.3
143.08591	11.6
145.04887	3.4
145.10097	20.4
147.11787	3.2
155.08493	10.2
157.10114	22.0
159.11641	6.4
159.72188	3.2
163.05957	4.3
167.08643	3.5
169.10085	13.8
171.11627	13.6
181.10121	14.9
183.11694	19.6
185.09619	5.6
185.13217	4.2
193.10152	16.5
195.11700	13.9
197.13243	4.9
205.95172	3.1
207.11688	13.4
209.13269	15.9
221.13185	3.4
223.14807	15.1
235.14777	20.5
249.16354	14.6
250.17146	4.8
251.14252	4.7
251.17982	5.5
275.17990	4.5
278.16632	3.2
289.07553	3.4
293.18988	39.6
307.22168	4.2
309.09647	3.1
310.10306	4.0
325.09088	5.1
325.12607	25.0
325.21533	100.0
325.25061	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.3
55.05517	21.6
65.68351	4.7
67.05517	55.5
69.07069	16.8
70.90471	3.9
71.04989	5.7
71.27348	4.2
79.05504	37.4
81.03418	4.3
81.07071	94.2
82.07411	4.3
83.04981	5.9
83.08633	9.0
85.02894	7.5
85.06548	6.7
91.05468	23.6
93.07059	56.1
95.04943	10.6
95.08614	100.0
97.06521	8.4
97.10168	8.1
97.31551	4.2
105.07045	35.8
107.08608	61.1
109.06539	21.0
109.10162	49.9
111.08087	7.2
117.07019	8.1
119.08546	37.4
121.10166	36.8
123.08061	7.0
123.11692	18.0
125.09554	5.1
131.08559	23.3
133.10162	19.4
133.43436	4.7
135.08110	8.8
135.11659	18.9
137.09639	10.4
139.07574	5.1
143.08505	16.8
145.10130	30.3
147.08076	8.1
147.11630	7.9
149.09666	6.4
149.13286	5.6
155.08568	8.1
157.10091	9.3
159.11710	10.8
165.09151	5.9
169.10146	18.3
171.11659	19.6
173.09555	5.1
173.13220	8.0
175.11209	5.7
183.11711	19.1
193.10106	19.1
195.11728	19.2
207.11610	6.3
209.13329	11.1
215.17957	6.0
233.19069	6.3
235.14841	26.7
249.16389	9.0
250.17233	18.3
251.14299	24.4
251.17981	11.5
261.18488	20.1
265.19513	9.5
278.16656	22.5
289.17926	33.5
293.19034	80.0
300.11151	5.5
307.19052	72.2
308.26703	27.4
325.12744	8.4
325.16269	5.0
325.21487	74.5
325.25089	10.1
325.29236	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22178	1.4
55.05516	3.1
57.03422	1.6
57.07072	9.2
63.87613	1.4
65.03946	1.5
66.86172	1.6
67.05524	13.1
69.07054	7.5
71.04986	3.3
79.05498	9.1
81.07057	25.2
82.07398	2.1
83.04980	2.5
83.08583	3.3
83.39002	1.8
85.02871	2.7
91.05468	6.6
92.21549	1.7
93.07055	14.3
95.05029	1.8
95.08609	18.7
97.06530	7.0
97.10153	2.0
98.38689	1.5
101.04933	1.7
105.07019	16.8
107.08606	15.5
109.06527	3.9
109.10155	11.1
111.08085	12.7
117.06994	7.9
119.08588	13.5
120.85577	1.9
121.10130	9.7
123.08072	2.3
123.11688	1.7
127.11182	2.1
129.06999	3.2
131.08571	12.6
133.06424	1.8
133.10133	6.5
135.08034	3.6
135.11693	6.6
136.73209	1.5
137.09618	2.7
141.06972	1.7
142.07738	1.9
143.08554	14.9
145.10118	16.5
147.08063	11.4
147.11690	3.3
149.09634	3.0
155.08548	7.9
157.10110	22.4
159.11659	22.6
160.12485	2.3
161.09598	3.1
163.11124	2.2
168.09277	1.8
169.10126	8.3
171.11684	8.5
181.10092	7.8
183.11699	14.8
185.09637	3.0
185.13284	2.5
193.10126	9.1
194.10902	3.1
195.11719	12.4
197.13342	2.3
205.10071	2.4
205.71002	1.7
206.10890	1.9
207.11702	15.3
208.12444	2.7
209.13229	14.4
211.11212	1.9
213.12822	3.1
219.11766	6.3
221.13315	3.2
222.41258	1.9
223.14784	7.4
227.14207	1.9
231.11697	1.8
233.13234	10.0
233.18953	2.0
235.14818	19.4
237.12717	3.2
239.14288	2.3
246.14032	2.4
247.14815	2.7
249.16446	15.1
250.17230	12.5
251.14258	27.6
251.17949	10.0
260.15707	3.2
261.04178	2.8
263.14386	2.1
265.15820	3.5
275.17896	12.6
278.16626	8.5
289.18103	3.3
293.18997	100.0
307.19464	1.8
308.26669	15.0
309.09448	2.2
310.09927	3.4
325.09198	2.4
325.12735	20.3
325.21573	82.7
325.29288	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.0
55.05515	3.9
57.03439	3.8
57.07098	2.0
67.05514	25.0
68.25589	1.9
69.03432	4.5
69.07064	11.0
69.40288	2.1
71.04990	4.5
72.79316	2.1
77.67776	1.7
79.05484	16.3
81.07077	26.6
81.12671	2.0
82.72104	1.8
83.04974	9.8
83.08611	3.6
85.06544	4.6
90.76355	2.2
90.85882	2.1
91.05474	25.4
93.07041	26.2
95.04969	4.0
95.08624	19.2
97.06532	36.7
99.08107	2.3
102.36270	2.0
105.07018	27.8
107.04992	3.8
107.08617	18.5
109.06496	10.9
109.10168	22.1
111.08085	10.5
116.60825	2.3
117.07023	17.2
119.08554	20.3
120.04710	2.1
121.06519	13.8
121.10129	12.4
123.04378	3.7
123.08041	4.5
125.05907	2.7
128.06316	3.6
129.07002	9.9
131.08571	18.2
133.10130	34.4
135.08055	18.8
135.11693	4.4
137.06052	2.1
137.09595	8.9
143.08568	15.8
145.10182	16.9
147.08032	4.3
147.11742	5.4
151.11212	8.4
155.08551	8.6
157.10106	20.6
159.11682	13.7
163.11142	2.9
169.10132	3.8
171.11661	4.9
173.09586	2.6
175.11160	3.2
179.08476	2.7
181.10172	2.7
183.11705	9.0
185.09692	2.4
185.13264	2.9
187.11169	2.7
195.11652	4.1
219.11636	3.8
245.15327	3.8
261.18585	4.4
271.17072	4.7
275.17892	4.2
286.41910	2.2
289.18002	28.6
290.21368	2.2
293.19016	29.0
307.07913	3.8
307.19031	21.6
309.09488	2.9
310.10254	2.9
325.08975	100.0
325.12552	17.4
325.21768	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01550	0.6
54.36954	0.5
55.05512	1.4
59.18034	0.5
59.78907	0.4
62.20554	0.5
65.91352	0.5
67.05511	5.9
69.07072	2.4
71.04996	7.7
72.37834	0.5
73.35687	0.5
74.85599	0.5
79.05493	7.6
81.07063	7.9
83.04977	5.7
83.08637	0.6
85.02930	0.9
85.06554	3.4
91.05471	10.1
93.07037	13.1
93.16882	0.5
95.04984	2.7
95.08601	5.3
97.06520	2.7
105.07026	15.9
107.08593	17.3
107.09263	1.0
109.06516	2.4
109.10163	3.2
111.08099	4.2
117.07018	4.2
119.08585	10.1
121.06499	1.9
121.10127	5.3
123.08055	3.3
125.09579	0.6
129.06987	4.5
130.07753	0.7
131.08589	9.4
133.10138	5.1
135.08054	4.8
135.11711	1.0
137.09654	3.8
141.07031	1.1
142.07784	1.1
143.08569	14.3
145.10117	12.4
147.08070	3.7
149.09583	1.4
150.59630	0.5
151.11188	0.6
155.07230	1.2
155.08545	8.8
157.10115	17.6
157.11302	0.7
159.07991	0.7
159.11685	8.6
161.09631	3.9
163.11230	1.2
165.07054	0.8
165.12660	0.6
167.08560	2.9
168.09447	0.9
169.10100	8.7
171.11739	6.1
173.09676	3.7
175.11223	2.4
177.12827	0.8
179.08612	4.3
180.09259	0.9
181.10156	7.7
182.10915	1.0
183.11681	12.2
185.09579	6.4
185.13176	0.7
187.11115	4.8
189.12787	1.0
192.09364	1.1
193.10132	12.2
194.10953	3.4
195.11687	14.2
196.12465	1.0
197.09665	1.1
197.13387	2.2
199.11183	5.7
201.12762	1.2
205.10132	1.2
206.10959	1.3
207.11684	11.9
207.13594	1.0
208.12440	4.6
209.13264	11.0
210.14076	1.1
211.11235	3.5
213.12788	3.8
215.14397	1.0
218.10988	0.9
219.11765	4.0
220.12505	2.4
221.13257	7.0
222.10458	0.9
222.14030	1.3
223.11252	1.1
223.14886	4.2
225.12804	0.7
227.14503	0.8
231.11752	0.9
232.12624	0.6
233.13258	5.3
234.14125	2.7
235.14804	24.7
236.11952	3.0
236.15605	0.6
237.12753	9.0
239.14432	2.8
241.15904	1.2
245.13261	0.7
246.14093	0.9
247.14816	2.2
249.16382	19.6
250.17131	14.1
251.14349	24.7
251.17984	19.3
253.15889	2.6
260.15649	3.0
263.14246	6.1
265.15897	1.3
265.19574	1.2
267.17487	1.1
271.17010	1.1
275.17865	6.4
278.16660	25.2
289.18011	3.5
293.18988	100.0
295.16870	0.8
307.18982	2.7
310.19299	2.8
325.13046	2.0
325.21646	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83568	1.4
54.53259	1.3
55.05518	16.5
57.03435	3.4
59.85888	1.5
60.33712	1.6
67.05497	3.1
69.03437	2.0
69.07081	2.0
71.04996	2.1
71.84699	1.3
77.03194	1.3
79.05495	6.5
81.07060	8.1
81.70499	1.5
83.04985	100.0
83.08612	2.5
85.02899	2.0
85.06523	1.5
91.05483	2.9
93.07038	10.4
95.08625	6.9
97.06548	2.8
99.04440	1.6
105.07041	9.4
107.04951	2.0
107.08631	12.0
108.51963	1.6
109.06545	21.0
109.10157	3.0
111.08085	2.7
117.07039	2.1
119.08575	7.6
121.06489	2.6
121.10152	6.0
131.08557	1.9
133.10146	7.4
135.08076	2.3
137.09642	3.7
143.08557	8.0
145.10107	9.4
147.08054	2.6
147.11708	1.5
149.09764	2.6
155.08499	3.2
157.10139	3.9
159.11745	2.8
161.13217	1.6
171.11659	2.7
173.09604	3.2
181.10088	1.5
183.11652	3.7
185.09613	2.3
186.16278	1.5
193.10196	2.8
195.11623	3.1
199.11212	2.0
207.11751	7.5
207.13774	7.1
209.13257	6.3
221.13116	2.2
235.14693	12.9
249.16339	7.7
250.17197	2.7
251.14191	11.3
251.17960	9.9
261.18527	2.5
265.08752	3.2
271.16968	1.7
278.16599	7.4
289.17902	14.5
293.08118	1.8
293.18945	39.4
307.18948	14.1
309.09656	14.9
310.10135	8.2
316.70255	1.9
325.13013	36.7
325.19910	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
50.44756	1.6
50.57378	1.5
51.64015	1.5
55.01876	4.0
58.97503	1.6
62.20322	1.6
67.05511	12.4
69.07052	2.9
69.57298	1.7
71.04980	4.0
75.67161	1.5
79.05499	8.3
81.07048	11.7
83.04977	8.9
85.06527	2.4
85.57838	1.9
91.05471	13.7
93.07042	10.7
95.04974	8.0
95.08601	9.2
97.06540	2.2
105.07053	18.6
107.05063	1.8
107.08588	19.6
109.06492	8.8
109.10147	23.0
111.08105	4.4
117.07011	4.7
119.08558	8.9
121.06497	2.4
121.10169	3.8
123.08067	38.7
123.11651	3.1
125.09588	2.8
128.95782	1.8
129.06995	2.9
131.08548	3.6
133.06456	2.7
133.10103	21.4
135.08046	3.5
137.09621	11.8
143.08562	8.4
145.10139	8.4
147.08064	7.2
147.11711	2.9
148.23526	1.8
151.11182	9.7
155.08525	4.0
157.10135	12.5
159.11719	9.7
161.09654	2.3
169.10112	4.2
173.09557	2.4
175.11249	2.7
181.10164	3.1
183.08009	2.2
183.10197	3.1
183.11694	10.8
185.09634	4.4
189.12721	2.0
193.10194	3.0
195.11710	2.4
207.11687	2.3
209.13365	2.8
211.11142	2.6
223.14786	2.1
235.14806	9.9
241.15945	2.0
244.15573	1.8
247.94339	2.0
249.16620	1.7
250.17282	3.3
267.17398	2.6
278.16592	2.3
288.10037	2.0
289.18002	11.0
293.19016	28.4
307.18939	12.2
325.21744	100.0
336.34238	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.32703	2.8
55.05510	4.9
57.07075	4.1
61.02930	3.7
67.05496	6.5
69.07078	17.4
69.89552	3.3
71.08633	30.7
79.05477	5.5
81.07067	27.8
83.08585	5.3
85.02913	5.9
91.03964	5.4
91.05477	3.8
93.07039	15.7
95.04971	3.8
95.08611	28.8
97.02905	4.8
97.06479	3.4
99.08086	14.7
99.25725	3.8
105.07014	6.2
107.08592	6.8
109.06510	26.7
109.10153	12.2
119.08571	12.5
121.06526	4.1
121.10148	6.5
123.08013	4.0
123.11675	4.1
125.49034	3.0
133.06456	3.4
137.07274	3.2
139.11140	13.4
145.10083	6.6
147.25958	3.4
165.12723	64.0
173.13187	3.6
177.12843	4.7
181.15819	14.0
187.14857	3.6
261.22134	18.7
279.22931	5.7
282.16980	3.1
289.21634	48.6
307.22668	100.0
310.10297	3.7
325.12625	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58957	3.6
55.05505	22.3
57.03437	8.7
57.07069	19.6
60.53835	3.5
60.64417	3.6
67.05508	88.0
69.07076	34.1
71.04990	6.2
71.08624	17.4
79.05502	68.1
81.07066	100.0
83.08607	17.4
85.06525	9.5
91.05476	25.2
93.07047	90.0
93.26345	4.0
95.08604	75.0
97.06525	7.8
97.10172	6.0
99.08069	9.0
105.07036	9.7
107.08591	62.1
109.06451	6.6
109.10165	55.6
111.08044	7.2
117.06982	7.1
119.08633	30.7
121.10139	72.7
123.11704	29.7
131.08554	40.1
133.10123	42.0
135.08150	5.4
135.11707	81.5
137.09700	4.4
139.11203	4.4
145.10110	21.8
147.11674	25.3
149.13243	28.6
157.10178	5.5
159.11646	32.7
161.13327	6.1
163.14799	4.6
165.12708	6.9
173.13258	24.1
187.14828	6.6
189.16188	5.1
205.19547	8.7
215.17960	59.6
233.19006	94.4
284.29437	5.1
289.21487	9.4
293.19324	5.6
301.76239	4.2
303.47421	4.1
305.83011	5.6
307.22476	36.2
308.26593	22.3
309.09293	5.6
310.10214	8.3
319.34320	4.4
325.09088	4.7
325.12631	34.4
325.23874	81.8
335.43155	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.8
55.30262	2.0
56.05857	5.3
57.07080	22.3
58.06597	2.0
58.07412	4.1
58.64899	1.9
62.06089	2.8
65.28630	1.8
67.05505	16.5
68.51164	2.1
69.07067	44.9
70.07390	5.1
71.08629	26.3
72.08166	2.2
79.05515	7.1
81.07056	46.3
82.07367	4.1
83.04999	4.8
83.08630	27.4
84.08940	9.3
86.06085	3.3
90.57668	1.9
93.07054	18.2
94.07331	2.8
95.04961	3.6
95.08607	48.5
96.07304	2.2
96.08957	2.8
97.06512	13.6
97.10155	23.1
98.10502	10.5
99.08100	14.4
99.10803	2.3
100.07628	8.7
102.09183	2.6
105.07052	4.4
107.08593	16.8
108.08924	3.5
109.06514	21.5
109.10146	26.3
110.10476	3.0
111.08080	8.8
111.11718	9.1
114.09135	5.0
119.08572	12.8
121.06529	5.1
121.10157	18.4
123.08086	8.9
123.11702	9.3
131.08539	2.9
133.10112	8.7
135.11690	11.1
137.09560	2.8
137.13208	2.8
139.11220	9.5
147.11714	5.0
149.13188	3.2
151.11183	2.8
161.13272	5.3
163.14792	3.6
165.12730	38.9
169.43265	2.2
173.13315	2.6
181.15915	8.8
191.14447	3.6
209.15471	2.7
209.99794	2.2
245.22672	2.3
251.16530	2.7
251.23746	3.3
261.22134	15.1
266.25632	2.7
267.25836	5.2
279.22998	3.1
280.26340	9.7
281.09979	3.4
283.25406	3.5
283.28189	24.3
284.28619	86.5
289.21616	33.8
291.23123	5.3
307.22641	100.0
308.25958	14.5
309.09467	14.6
310.10068	12.6
325.09006	6.8
325.12585	54.5
325.25354	2.7
325.28552	13.6
325.32080	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77015	1.7
55.01885	3.0
55.05521	15.0
57.03445	23.1
57.07068	12.3
59.02791	1.7
67.05511	54.8
68.38372	2.3
68.65620	1.6
69.07071	20.0
71.04993	39.7
71.08622	2.9
79.05485	13.9
81.07063	81.6
82.07386	2.4
83.04978	2.5
83.08617	12.5
85.02887	3.3
91.05492	2.9
93.07057	20.6
95.08603	88.5
97.06561	3.3
97.10178	8.3
99.08095	56.8
105.07065	4.8
107.08601	18.2
109.06490	2.3
109.10161	46.9
111.08056	3.5
113.05997	8.2
119.08556	8.3
121.10137	14.6
123.11713	17.9
125.09608	3.0
127.11163	3.7
131.08600	2.4
133.10121	2.8
135.11722	15.1
137.13286	4.1
147.11702	8.6
149.13312	3.8
151.33432	2.5
163.06155	1.9
163.14871	4.6
171.21695	2.0
173.13191	2.3
181.15858	13.1
188.33714	1.9
205.19574	2.3
215.17960	4.3
233.19113	3.0
233.88272	2.1
251.20035	57.6
280.09467	2.3
297.49637	2.1
307.19101	7.6
308.26608	17.1
309.09506	3.9
310.10208	4.0
325.08920	3.8
325.12674	18.6
325.23737	100.0
325.27203	6.9
336.00278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.89083	1.4
55.01642	3.0
55.01883	49.3
55.05521	26.0
55.60386	1.2
57.03442	12.2
57.03666	1.3
57.07068	5.9
62.21429	1.4
67.05511	29.5
69.03391	2.3
69.06818	1.2
69.07076	20.7
71.04977	2.4
71.08618	2.6
73.06535	2.2
79.05507	14.2
81.03408	1.7
81.07058	40.8
83.04974	11.4
83.08619	23.5
85.02901	2.2
85.06539	2.7
91.03983	2.7
91.05470	2.8
93.07037	23.8
95.08608	39.2
97.06528	8.9
97.10166	8.8
105.07015	4.0
107.08610	19.4
109.10147	20.1
111.08080	100.0
117.07000	1.7
121.10133	20.5
123.11700	8.5
125.09679	12.9
127.03797	2.0
127.71696	1.8
131.08557	2.2
133.10138	8.4
135.11661	7.7
139.11176	8.9
139.45940	1.8
145.10092	2.8
147.11668	2.1
149.09621	1.9
149.13246	10.2
151.11113	1.8
159.11671	2.4
167.10660	1.6
167.14264	2.6
173.13268	2.4
215.17870	3.1
223.20540	7.2
233.19012	3.4
251.20016	48.7
308.26599	10.6
309.09509	4.0
310.10281	3.3
325.08942	3.1
325.12756	15.7
325.23724	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	16.7
55.05516	23.4
57.03448	7.5
57.07076	18.1
57.30018	3.1
57.40318	3.0
67.05511	80.4
69.07079	27.2
71.04980	5.0
73.80248	4.1
74.43126	3.7
78.05798	3.9
79.05495	61.2
79.57043	3.6
81.03413	4.0
81.07059	100.0
81.07839	3.4
83.04975	19.7
83.08615	15.8
85.06576	4.4
88.35892	3.7
90.12037	3.8
91.05481	27.9
93.07045	89.2
95.04973	32.1
95.08608	64.2
97.10163	23.7
99.08083	4.2
105.07031	37.5
107.04949	25.1
107.08590	42.5
109.06526	31.2
109.10169	61.0
109.77066	3.7
111.08092	4.8
115.05411	4.5
117.07002	19.3
119.08543	34.1
121.06532	6.7
121.10130	48.7
122.07277	6.1
123.08060	4.8
123.11707	37.9
131.08582	28.7
133.06482	5.7
133.10117	29.9
135.08086	5.9
135.11700	60.0
137.09595	42.5
140.98581	4.6
143.08516	5.7
145.06488	4.7
145.10098	26.9
147.07994	7.9
147.11703	19.7
148.36011	4.4
149.13202	27.7
159.11697	18.2
161.09662	13.4
161.13297	4.5
169.10089	4.2
171.11603	6.1
173.13243	20.6
187.14804	6.4
198.20821	4.1
203.85655	3.9
205.15900	5.1
215.14555	4.2
215.17949	52.3
233.15312	17.1
233.18990	84.5
290.18903	13.7
291.19534	4.9
293.18936	7.8
307.22668	5.8
308.26611	9.5
325.23920	61.2
325.29221	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05512	6.3
57.03441	5.6
57.07080	6.7
62.32187	3.4
64.44297	3.2
67.05511	81.9
69.07063	8.8
71.04990	6.4
79.05495	53.2
81.07062	98.6
83.08626	7.5
85.06551	6.7
85.98319	3.2
88.35691	3.8
91.03938	4.4
91.05488	26.5
91.80149	3.8
93.07041	76.9
94.75881	3.2
95.08614	66.5
97.06556	5.8
98.88009	4.6
99.08065	15.5
105.07030	19.9
107.08611	49.8
109.06527	6.6
109.10163	50.4
111.08089	4.0
117.07011	15.4
119.08577	24.2
121.10148	64.3
123.08083	5.2
123.11701	30.6
125.09687	4.2
130.95578	3.9
131.08571	31.9
133.10117	29.5
135.08096	6.1
135.11688	85.9
145.10138	31.3
147.11690	15.9
149.13235	32.7
159.11679	29.6
161.13206	4.2
173.13257	24.2
187.14772	5.2
189.16370	3.9
203.06920	3.2
205.19511	14.9
215.17918	69.7
233.18977	100.0
290.18378	5.8
301.37286	4.6
307.22684	14.5
308.26697	5.0
325.23737	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.70741	2.4
55.05515	24.2
57.03436	6.9
57.07078	15.8
58.07404	2.8
67.05505	52.5
69.03440	3.6
69.07065	28.0
71.05005	4.0
71.08634	60.6
73.48772	2.7
79.05481	14.5
81.07060	48.0
82.07389	4.7
83.04984	6.7
83.08624	45.2
85.02899	7.2
87.29111	3.2
89.90347	3.4
90.09293	2.8
91.03939	3.4
91.05463	15.7
93.07040	28.7
95.04967	5.8
95.08602	54.2
97.06511	17.1
97.10168	18.6
99.08102	28.0
105.07034	7.6
107.08607	13.3
109.06496	16.8
109.10149	44.0
110.35238	3.4
111.08069	13.0
119.08586	20.4
121.10138	19.4
123.11691	3.8
125.09595	5.5
127.11172	3.9
131.08583	13.5
133.10124	21.4
135.11652	12.5
137.09554	11.1
139.11169	31.9
151.11157	16.3
155.10670	21.0
159.11673	13.4
161.09589	6.8
163.11177	6.8
165.12744	27.1
173.11833	5.3
177.12714	13.1
181.15849	11.9
189.11212	15.5
224.67390	3.4
261.22189	6.2
275.20056	34.2
277.36023	3.6
281.09839	3.3
284.29404	5.1
289.21606	21.5
293.21030	68.2
295.08099	4.1
307.22644	62.7
308.26572	15.0
309.09427	25.0
310.10168	34.6
325.08963	8.3
325.12592	100.0
325.23685	42.0
325.27573	22.7
333.77570	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05516	5.7
55.22394	2.1
65.79740	2.8
67.05505	24.0
69.07062	11.7
79.05489	16.5
81.07069	27.0
83.04990	3.5
83.08632	5.5
86.06059	3.1
86.06953	2.5
91.05495	13.8
91.37599	2.5
92.21012	4.0
93.07027	30.3
95.04963	4.3
95.08636	21.4
97.06569	3.8
97.10149	4.5
100.07639	2.8
105.07027	18.1
107.08606	19.3
109.06531	5.5
109.10153	12.6
117.07031	5.4
119.08582	14.1
121.06532	3.4
121.10130	33.9
123.08013	4.9
123.11688	2.7
129.06979	3.0
131.08577	16.2
133.02783	2.4
133.10139	35.9
135.08046	9.7
135.11655	21.4
137.05998	3.4
137.09673	2.9
143.08556	4.9
145.10078	20.7
147.11693	23.8
149.13333	9.9
154.12271	10.7
157.10147	5.1
159.11682	13.8
161.09607	20.5
161.13217	6.2
165.38214	2.9
171.11719	19.9
173.13301	3.1
175.11176	19.7
178.12328	3.4
185.13298	4.8
189.12787	6.3
193.12297	3.3
195.11673	3.6
205.06416	3.3
211.14893	4.1
213.12819	3.5
213.16402	11.7
227.17978	11.2
237.09082	3.9
237.16360	6.1
245.18958	6.2
250.06175	3.2
255.17412	21.0
262.21545	5.6
265.08612	12.2
272.20004	22.0
273.18500	47.4
281.10019	4.0
289.18066	4.2
290.21106	60.9
291.19580	22.8
292.07480	2.7
293.08224	4.3
297.11301	4.1
308.22290	21.1
309.09561	32.2
310.10443	22.1
325.13126	72.5
325.20941	6.1
325.24850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39733	2.6
55.05515	13.7
57.07064	4.1
67.05508	30.5
69.07066	22.4
79.05496	16.6
81.07060	39.0
83.05000	4.0
83.08621	17.8
91.05495	14.7
93.07043	25.8
95.08620	40.1
96.08926	2.9
97.06550	5.7
97.10166	7.1
105.07027	5.7
107.08585	24.5
109.10140	23.4
111.08054	6.3
119.08584	14.2
121.10152	52.8
124.16135	3.1
131.08545	5.7
133.10123	13.4
135.08116	3.8
135.11699	40.1
147.11684	13.8
149.13249	14.4
161.13297	6.0
173.13222	6.1
182.26877	4.8
281.10077	5.1
291.23105	32.4
308.25861	81.0
309.09393	30.9
310.10205	32.1
325.09003	13.3
325.12656	100.0
325.28519	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43583	2.8
57.03429	2.9
57.07083	43.0
58.07417	8.3
67.05507	65.7
68.05840	16.2
68.59287	3.3
69.07075	7.4
71.08630	41.5
71.76265	2.9
72.08961	11.9
81.07056	79.8
82.07378	31.1
83.04959	3.3
83.08598	4.5
85.10181	5.8
91.05490	5.2
93.07050	5.8
95.08614	54.2
96.08939	19.9
97.10178	3.6
98.10538	4.4
107.08587	5.8
108.27245	3.4
109.10139	25.1
110.10497	8.2
121.10149	6.6
123.11706	15.1
124.12067	7.8
133.10117	14.2
134.10451	6.0
135.11607	4.2
137.13272	4.3
141.12759	15.8
142.13124	8.1
149.05879	3.2
149.13258	5.0
150.13512	3.7
252.20364	3.2
290.25348	4.2
308.26648	100.0
325.29321	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
55.05517	18.0
55.99478	2.7
57.03443	3.1
57.07083	17.9
67.05515	42.9
68.05837	8.2
69.07062	22.2
69.89663	3.4
71.08631	28.4
72.08978	5.0
79.05483	5.1
81.07061	53.2
82.07407	25.4
83.08627	16.3
84.08947	4.7
88.61673	3.0
93.07035	15.8
95.08603	66.1
96.08945	28.0
97.10194	6.8
98.10501	6.3
99.08101	4.7
106.43785	3.1
107.08553	12.3
109.10174	25.3
110.10500	12.5
121.10149	14.8
123.11685	4.3
124.12059	4.1
135.11668	6.1
213.67970	4.2
256.02667	3.2
280.27246	4.1
281.09998	4.3
290.25571	3.8
308.26654	96.6
309.09662	29.6
310.10190	19.4
325.08984	12.1
325.12607	100.0
325.29416	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41162	1.6
55.01883	13.6
55.05521	16.4
56.05855	3.4
57.03446	2.2
57.07079	12.8
62.06096	2.0
67.05505	43.5
68.05843	12.3
69.07071	38.3
70.07398	8.8
71.04964	1.9
71.08624	3.8
79.05496	12.8
80.05797	2.4
81.07056	51.1
82.07397	22.2
83.04988	9.4
83.08617	27.5
84.08944	9.0
85.06535	3.2
91.05471	2.8
91.62148	1.6
93.07041	19.5
94.07367	7.3
95.04967	2.5
95.08609	48.0
96.08932	16.8
96.42681	1.5
97.06536	9.3
97.10176	7.6
98.10501	4.1
105.07066	2.2
107.08601	20.4
108.08950	8.6
109.10153	24.3
110.10489	9.3
111.08093	2.7
117.06947	2.0
119.08546	3.1
120.08922	1.7
121.10135	15.1
122.10484	8.9
123.11716	9.9
124.12051	2.3
125.09649	2.5
131.08513	2.4
132.08875	2.0
133.10141	9.6
134.10504	1.7
135.11690	10.2
136.12007	3.5
137.09634	2.3
137.13228	1.8
139.11162	12.5
140.11540	4.1
145.10152	2.9
147.11723	2.0
149.09662	2.8
149.13242	7.0
150.13547	2.1
151.11067	2.5
159.11644	3.6
163.11179	3.7
167.14288	3.1
168.14653	3.3
174.13519	3.0
275.19974	4.3
280.27274	6.1
284.29453	3.7
290.25439	6.8
293.21097	3.7
307.22592	7.2
307.26321	7.7
308.26657	100.0
309.09396	9.7
310.10287	9.8
325.08884	7.4
325.12604	31.2
325.23703	2.8
325.29312	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
55.05510	11.9
57.03417	1.9
57.07073	4.1
62.06091	39.3
63.06425	2.4
67.05495	17.4
68.05841	7.1
69.07052	13.2
70.07399	2.8
71.08609	1.9
78.08715	1.6
79.05489	9.2
81.07057	21.0
82.07391	6.9
83.08632	19.5
84.08954	6.9
85.06519	1.8
91.05469	2.0
93.07028	13.3
94.07352	3.4
95.08611	19.8
96.08934	8.2
97.10151	8.2
98.10499	4.4
107.04926	3.8
107.08604	7.2
108.08915	4.1
109.10191	13.5
110.10430	2.9
117.07047	2.8
121.10157	9.3
122.10493	3.7
125.09578	1.9
130.62347	1.9
131.08733	2.0
135.11678	6.9
136.12038	2.7
136.67598	1.9
142.58301	2.0
153.09172	2.6
158.50667	1.8
177.24234	1.9
181.15843	2.0
182.16234	2.0
262.26126	3.2
267.08414	1.7
272.24844	1.8
280.09598	1.8
281.09964	4.1
284.29565	3.2
290.25687	7.4
295.07983	2.7
308.26642	36.3
309.09442	32.9
310.10248	20.9
325.09106	7.5
325.12622	100.0
325.16064	5.2
325.29330	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3099
Annotation	Henicosane
Peak:m/z	Relative Intensity
53.20998	7.5
55.57433	8.5
57.07074	23.2
71.08630	21.4
71.61423	8.5
107.33466	11.3
185.79758	11.5
193.41605	9.0
214.21428	9.8
225.03114	9.6
284.29520	100.0
325.09015	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02180	1.3
55.05516	14.7
57.07088	14.0
62.49971	1.3
67.05517	13.4
69.07079	27.8
70.07404	3.8
70.97581	1.4
71.08627	6.4
72.08134	1.5
79.05490	6.6
81.07055	23.2
82.07388	3.0
83.04984	2.8
83.08636	24.7
84.08950	7.6
85.10186	1.7
86.06051	3.0
88.37225	1.5
91.05499	3.0
93.07056	8.0
93.48225	1.5
95.08605	26.6
96.08957	2.4
97.06519	7.0
97.10141	11.6
98.09737	1.7
98.10493	3.3
100.07618	3.8
105.07069	2.5
107.08605	10.6
109.10159	18.8
110.10475	2.3
111.08083	3.2
111.11689	2.2
114.09142	3.0
119.08582	8.5
121.10137	8.3
122.10474	1.7
123.11699	6.1
127.24023	1.4
128.10728	2.7
133.10176	6.8
135.11685	7.3
136.12033	2.7
137.09633	3.8
137.13228	1.9
139.11101	1.7
147.11681	3.1
149.13345	2.3
151.11244	1.7
153.72142	1.7
154.80440	1.7
161.13261	3.4
163.14873	2.1
175.14836	2.8
221.81140	1.5
245.22592	2.8
249.24982	2.0
263.23776	2.6
267.25858	2.5
273.25757	1.7
280.26355	13.7
283.28113	6.4
284.28705	44.1
291.23175	6.4
291.26956	2.4
307.04471	1.8
308.26010	6.7
308.29257	9.2
325.12659	3.8
325.28741	21.5
325.32025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.07090	7.0
57.40070	0.7
67.05501	1.6
69.07066	5.5
71.08627	1.8
72.08147	0.7
74.06076	1.1
81.07066	4.3
83.08627	4.8
88.07638	10.1
95.08601	3.5
97.06562	0.9
97.10181	3.2
100.07612	1.3
102.09179	4.7
109.10159	1.7
116.10701	1.4
123.61419	0.8
135.11754	0.9
182.15445	1.1
252.08597	0.8
273.25815	0.8
284.29471	100.0
291.26971	1.4
294.50397	0.9
308.29437	9.2
309.09256	1.1
310.10178	3.4
325.08853	4.1
325.12637	6.0
325.28674	1.2
325.32144	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76677	0.1
53.00306	0.1
55.05518	0.7
56.05038	0.1
57.03417	0.1
57.07079	4.3
60.04499	0.1
61.96977	0.1
62.98940	0.1
65.80372	0.1
67.05511	0.6
69.07066	1.5
71.04994	0.5
72.04520	0.2
72.08170	0.1
73.06588	0.1
74.06081	2.0
79.05479	0.1
81.07063	1.1
83.04966	0.1
83.08625	1.3
85.06558	0.1
85.10186	1.1
86.06046	0.2
88.07629	8.9
89.96651	0.1
93.07056	0.3
95.08630	0.9
95.88329	0.1
97.06515	0.5
97.10171	1.0
98.11629	0.1
100.07629	0.8
100.11245	0.1
102.09183	5.4
107.08595	0.2
109.10143	0.5
111.08047	0.1
111.11744	0.1
114.09169	0.2
114.12818	0.2
116.10734	2.0
121.10142	0.4
123.11667	0.2
125.09630	0.1
130.12268	0.7
135.11659	0.4
144.13847	0.4
149.13190	0.1
151.64819	0.1
158.15385	0.2
167.64020	0.1
171.57957	0.1
172.16956	0.4
186.18489	0.4
200.20081	0.2
210.18555	0.2
214.21626	0.2
228.23315	0.2
281.09940	0.1
284.29471	100.0
308.29459	1.3
309.09531	0.8
310.10309	0.7
325.08856	0.9
325.12589	2.8
325.32150	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27470	1.5
53.64774	1.8
55.05505	9.0
56.05848	1.8
57.03453	2.1
57.07066	8.8
59.75622	1.6
63.05456	1.9
67.05483	10.8
69.07056	12.7
70.07415	2.0
71.08622	4.1
81.07058	15.2
82.07375	2.7
83.08611	10.3
95.08627	17.4
96.08938	2.4
97.10150	8.0
98.10471	3.5
100.07594	3.0
107.08582	3.3
109.10168	4.9
111.08031	2.2
111.11668	2.4
111.30398	2.0
114.09100	2.9
121.10118	3.4
123.11724	3.2
126.51534	1.8
131.08505	2.0
135.11685	3.2
137.13216	1.9
147.11586	2.3
175.07524	4.4
249.24873	2.3
281.09814	2.6
283.28198	3.9
284.28680	26.8
308.26074	3.3
309.09427	30.9
310.10172	20.8
325.08997	10.5
325.12540	100.0
325.28702	5.6
325.32159	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
57.07077	4.2
60.99158	0.3
67.05508	0.9
69.07057	2.4
71.08629	2.0
74.06062	1.7
79.05515	0.5
81.07052	1.7
83.08614	1.7
85.10187	0.7
86.06097	0.3
88.07633	7.1
88.35889	0.3
93.07058	0.3
95.08591	2.3
97.06512	0.5
97.10161	1.9
100.07599	0.8
102.09179	4.6
102.77269	0.3
109.10152	1.5
114.09146	0.4
116.10738	1.5
119.08569	0.7
121.10166	0.5
123.11702	0.4
130.12303	0.6
135.11658	0.4
142.15868	0.5
182.15312	0.4
284.29468	100.0
308.29431	3.7
325.08936	2.2
325.12537	0.7
325.29309	1.0
325.32220	11.7
327.53745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85018	8.7
51.51838	8.3
51.96779	10.1
57.19548	8.7
77.51642	10.7
83.28168	11.8
102.05561	22.3
114.05529	21.5
126.45054	11.7
137.96843	12.1
169.03618	12.2
174.07632	18.4
210.33383	14.0
243.01765	14.5
246.09717	80.6
261.03140	100.0
315.28534	11.9
326.10312	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1019
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
55.05513	1.1
56.05049	0.9
57.06076	0.6
57.07079	1.3
59.58493	0.6
62.06094	1.3
67.05517	1.5
69.03424	3.2
69.07063	3.0
80.05011	2.7
81.07066	1.3
82.06582	7.0
83.08617	2.8
91.05479	1.1
93.07035	1.3
94.06561	3.4
95.08597	1.4
97.10168	0.8
105.07027	3.3
107.08537	1.0
109.80090	0.7
110.06030	2.5
112.07588	2.5
126.26674	0.7
150.35837	0.6
150.60674	0.6
153.44209	0.6
268.09790	1.4
281.06915	0.9
282.07596	29.9
290.25024	0.9
294.07468	5.2
296.05618	8.0
296.08810	1.2
308.25867	13.3
310.07077	33.2
311.07858	41.5
311.11493	1.3
326.10217	100.0
326.26859	3.0
326.30515	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1018
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
63.06446	0.5
67.05537	0.5
70.30718	0.6
70.99837	0.7
72.11469	0.6
76.35931	0.6
91.24220	0.8
98.12628	0.6
112.37351	0.6
119.69601	0.5
120.25410	0.6
125.16828	0.7
140.81535	0.6
147.11601	0.7
273.18774	0.7
283.08490	0.9
291.19403	1.2
292.06149	1.1
293.06903	1.4
296.05548	13.0
310.07059	3.6
310.10184	1.0
311.07846	59.9
311.10919	2.8
324.08670	1.1
326.10175	100.0
326.13034	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1021
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
64.59153	0.2
81.07053	0.7
91.05501	0.2
93.07055	0.3
95.08619	0.4
107.08566	0.4
108.08108	0.3
109.10144	0.4
124.38659	0.3
131.49580	0.3
149.06036	0.9
151.03868	0.3
158.72658	0.3
173.34816	0.3
174.05449	0.3
175.06346	0.6
188.07114	0.6
189.07843	5.4
221.06111	0.3
228.06558	0.4
249.05653	0.4
251.07086	2.1
268.09567	2.2
278.08221	0.4
279.06467	1.4
280.09665	1.1
291.19421	0.5
296.09192	1.1
298.10657	1.2
308.22385	0.5
326.10217	100.0
342.82257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.102
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
58.06594	0.5
62.62786	0.6
67.99929	0.6
69.03420	1.0
75.28226	0.7
81.03416	0.7
85.02887	0.9
99.04469	1.0
109.02896	1.5
127.16295	0.6
130.91145	0.5
136.07632	0.7
163.03888	2.6
164.04236	4.2
164.07100	3.0
191.08122	1.0
192.08505	3.9
203.97250	0.8
265.07095	2.2
266.08246	2.7
268.05951	2.2
281.07217	0.8
282.04529	1.4
282.07623	41.2
283.11459	0.9
294.07581	6.1
296.05557	7.1
296.09158	6.4
308.13184	0.8
310.07089	50.8
311.07901	44.6
311.11508	14.1
324.29749	0.6
326.10239	100.0
326.13861	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82737	0.4
55.38633	0.4
57.46804	0.4
58.06612	0.6
58.46711	0.4
58.84767	0.4
79.44203	0.4
89.46430	0.6
93.32484	0.5
163.03801	0.7
164.04227	0.6
181.40402	0.5
189.49927	0.5
191.08170	2.5
192.08521	4.1
224.41370	0.6
265.07278	1.1
268.05887	1.2
281.06772	0.6
282.07620	41.9
283.11606	5.1
283.89868	0.6
294.07504	5.3
296.05661	9.4
296.08994	2.2
297.06470	0.8
308.13409	2.1
310.07114	45.8
311.07877	42.7
311.11319	13.0
316.85373	0.6
318.03214	0.5
326.10223	100.0
326.13751	13.1
329.65143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39272	0.8
69.03418	1.8
85.02908	7.7
86.03232	1.4
87.04459	1.2
92.74532	1.0
95.27895	0.9
97.02908	1.5
98.06007	1.0
99.04452	1.1
102.75534	1.1
107.04957	1.4
110.07182	6.5
121.06499	14.7
123.04429	2.3
127.03911	3.7
136.07605	4.5
138.09148	4.4
145.05057	1.0
148.07599	4.6
163.04990	1.3
164.07057	100.0
165.05460	3.3
178.08580	1.6
236.09169	20.6
266.10358	1.7
280.11838	4.5
291.42191	1.1
308.11395	2.1
326.12439	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
69.03433	7.9
71.04984	0.4
72.04509	0.5
73.02898	1.0
77.98315	0.4
81.03409	0.8
82.91966	0.5
84.04476	0.5
85.02907	6.8
87.03214	6.1
91.05479	2.4
95.04976	2.1
96.04477	2.6
97.02888	13.5
98.06036	0.7
99.04455	3.2
100.04019	0.5
103.03946	0.5
103.05453	0.6
107.04949	16.4
110.06017	0.7
112.03957	6.9
115.03952	0.6
119.04942	14.7
121.06487	5.4
123.04427	27.3
126.05477	1.8
127.03909	7.4
131.04947	0.6
133.06477	0.5
134.44133	0.5
135.06770	0.5
136.07579	30.0
137.06000	0.8
138.05501	5.0
143.05803	4.2
144.06557	7.2
146.06013	2.7
147.04398	16.1
148.07573	33.2
150.09138	1.1
156.06535	3.1
160.07578	6.2
161.06862	5.4
162.07549	1.7
164.07053	30.7
165.05463	27.1
172.07562	2.4
174.09094	0.5
174.43082	0.5
178.08601	3.1
182.08128	12.6
184.06073	0.6
187.07516	1.1
190.08606	0.7
194.08119	5.6
200.07082	0.6
202.07034	1.1
202.08699	0.7
214.08643	4.2
218.08130	0.5
226.08568	0.6
236.09181	5.5
244.09743	0.9
260.09161	2.2
262.10712	5.7
280.11777	29.3
298.12796	2.2
308.11261	29.7
326.12317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94485	0.6
67.33183	0.7
101.15385	0.7
164.02513	0.7
221.20758	0.8
252.10193	5.0
265.10953	14.6
266.11823	5.1
267.12454	1.3
282.11163	3.8
283.12012	0.8
293.10229	1.0
296.09192	0.8
311.11499	100.0
326.13855	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.4
70.92378	0.3
70.97247	0.3
78.41071	0.3
80.53960	0.3
119.18693	0.3
124.56646	0.3
192.37961	0.3
201.24896	0.3
222.09201	0.4
236.15889	0.3
237.11458	1.9
250.06062	0.3
251.09398	0.3
252.10176	5.5
255.87755	0.3
264.10257	0.4
265.10977	13.4
266.11746	5.4
267.12427	1.6
268.09604	1.3
274.57675	0.3
278.07944	0.6
282.08353	0.4
282.11264	3.3
283.11972	2.1
293.10455	0.7
294.11209	1.6
296.09113	1.3
310.07312	0.3
310.10712	0.4
311.11514	100.0
326.13873	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.4
70.92378	0.3
70.97247	0.3
78.41071	0.3
80.53960	0.3
119.18693	0.3
124.56646	0.3
192.37961	0.3
201.24896	0.3
222.09201	0.4
236.15889	0.3
237.11458	1.9
250.06062	0.3
251.09398	0.3
252.10176	5.5
255.87755	0.3
264.10257	0.4
265.10977	13.4
266.11746	5.4
267.12427	1.6
268.09604	1.3
274.57675	0.3
278.07944	0.6
282.08353	0.4
282.11264	3.3
283.11972	2.1
293.10455	0.7
294.11209	1.6
296.09113	1.3
310.07312	0.3
310.10712	0.4
311.11514	100.0
326.13873	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1383
Annotation	Amurensine
Peak:m/z	Relative Intensity
58.06582	0.4
70.92378	0.3
70.97247	0.3
78.41071	0.3
80.53960	0.3
119.18693	0.3
124.56646	0.3
192.37961	0.3
201.24896	0.3
222.09201	0.4
236.15889	0.3
237.11458	1.9
250.06062	0.3
251.09398	0.3
252.10176	5.5
255.87755	0.3
264.10257	0.4
265.10977	13.4
266.11746	5.4
267.12427	1.6
268.09604	1.3
274.57675	0.3
278.07944	0.6
282.08353	0.4
282.11264	3.3
283.11972	2.1
293.10455	0.7
294.11209	1.6
296.09113	1.3
310.07312	0.3
310.10712	0.4
311.11514	100.0
326.13873	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97493	0.5
53.03953	1.4
57.03435	1.2
60.35551	0.6
62.68604	0.6
63.53251	0.5
69.03442	5.5
70.06593	0.7
71.01348	0.6
71.04995	1.2
72.38135	0.6
75.67822	0.7
77.25501	0.6
81.03429	6.7
81.90896	0.7
85.02908	6.6
87.04446	0.7
89.02393	0.6
97.02876	4.3
99.04459	100.0
101.40814	0.6
102.41958	0.8
103.03937	1.3
105.67950	0.6
107.53660	0.6
110.61306	0.6
113.02360	5.9
115.03923	1.1
116.07085	0.8
117.04661	0.6
125.02338	1.0
127.03872	0.7
129.05473	0.7
133.04959	1.1
143.03430	1.3
158.98627	0.7
161.04434	11.2
164.07034	2.6
164.08215	11.1
175.06058	4.6
192.07774	1.1
194.10370	4.2
236.09259	1.0
259.08179	5.5
273.09683	1.2
277.09290	4.7
291.10687	1.1
326.05161	3.1
326.13138	10.9
333.89716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.0
55.05510	0.8
57.03441	0.5
58.89291	0.4
67.05508	0.8
67.13393	0.4
70.06606	4.2
71.04993	15.4
79.05531	0.6
80.00484	0.4
81.03419	0.6
81.07058	3.0
83.04977	2.6
88.07634	100.0
93.07066	0.7
95.04996	0.5
95.08627	0.9
97.06530	0.7
97.10159	0.5
99.04406	0.5
104.69954	0.4
105.07082	0.6
107.08572	0.9
109.06525	2.1
119.08627	0.5
121.10139	1.7
123.08096	0.9
128.58090	0.4
137.04077	0.4
145.10057	0.4
159.11699	0.6
166.12311	0.6
184.13382	2.1
202.14459	2.0
208.09312	0.5
221.15468	0.7
239.16412	1.0
290.18207	0.8
290.21271	0.9
291.19534	8.7
294.51889	0.5
308.19080	1.0
308.22302	0.9
326.10382	0.6
326.20181	2.3
326.23343	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02922	0.6
52.71994	0.6
55.05526	8.1
57.07082	3.5
60.04533	28.5
67.05513	5.2
69.07068	16.9
71.08595	1.3
79.05494	1.1
80.74464	0.7
81.07063	12.7
83.08622	11.2
85.10173	1.3
86.09712	7.9
91.05484	1.4
93.07043	3.5
95.08607	14.7
97.06534	1.5
97.10164	8.3
105.07046	1.6
107.08582	3.5
109.10186	8.8
111.08086	0.9
111.11707	3.3
119.08549	3.6
121.10133	3.4
123.08125	1.1
123.11713	4.4
133.10085	5.1
135.11690	4.6
137.09631	1.7
137.13268	3.0
139.11148	0.9
147.11691	4.2
151.11151	0.8
151.14832	0.8
161.13237	3.7
163.74016	0.8
165.12758	0.9
182.15306	4.9
211.16328	0.7
214.17978	5.4
217.19507	3.9
235.20538	4.5
252.23177	10.9
284.25827	22.9
294.24377	0.8
326.26892	100.0
326.30002	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08901	3.3
55.05505	4.8
57.07051	4.3
60.04536	5.6
67.05496	7.8
69.07057	17.9
70.06593	45.6
79.05484	4.3
81.07061	17.8
83.08623	6.7
84.04475	4.9
84.06454	4.3
95.08601	27.0
98.09721	4.2
109.10144	7.3
111.11662	4.4
112.11255	19.5
119.08609	3.9
121.10124	4.4
124.74189	4.2
135.11687	5.4
140.14345	7.9
142.52315	4.3
208.16916	7.2
212.16362	10.6
240.19658	30.5
243.42313	4.4
252.23314	7.2
266.08160	22.9
285.29816	22.2
294.07584	7.2
326.06863	6.2
326.10083	49.7
326.26907	100.0
326.30521	7.3
326.33911	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61559	2.2
52.82511	2.2
55.05513	12.4
57.07077	18.3
59.88920	2.1
62.05788	4.1
62.06097	86.2
63.05806	2.6
63.06426	14.2
64.06512	10.2
67.05512	29.6
68.05827	3.8
69.07063	41.4
70.07407	2.7
71.08623	4.5
72.55569	2.0
79.84518	2.1
81.07056	34.5
82.07383	12.5
83.08618	29.1
85.10176	29.6
90.05553	3.1
91.33677	2.8
91.43320	2.3
93.07036	4.1
95.08601	44.5
96.08929	9.0
97.10161	28.3
105.07042	2.7
109.10161	15.7
110.10530	2.8
111.11741	10.8
113.09662	14.3
119.08564	3.4
119.50494	2.4
121.10136	5.1
123.11745	5.4
135.11702	3.0
161.13225	3.2
226.25946	2.5
266.08011	3.6
273.25385	2.5
291.26764	6.0
294.71918	2.7
308.28448	2.6
309.27112	13.7
326.10138	15.0
326.30130	100.0
327.28964	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.5
55.05515	8.8
55.91212	1.7
56.02219	3.2
57.07084	9.1
58.07399	3.0
67.05505	29.9
68.05835	13.4
69.07078	42.1
70.07400	17.5
71.08611	3.1
72.09016	1.8
79.05499	10.1
80.05817	4.0
81.07062	35.1
82.07395	18.4
83.04974	3.2
83.07751	3.6
83.08622	21.0
84.08955	8.8
85.06544	4.0
91.05491	2.8
93.07066	14.5
94.07365	8.3
95.08604	33.4
96.08942	22.1
97.06511	4.4
97.09289	2.6
97.10155	3.4
98.06876	3.4
98.10525	1.8
105.93219	1.8
107.08590	11.9
108.08927	4.6
109.10165	13.8
110.10509	9.9
121.10162	13.2
122.10475	12.7
123.11715	4.1
124.12041	3.5
135.11664	3.7
136.12019	8.1
137.12338	2.9
150.13553	2.8
153.12843	3.0
154.13106	12.7
155.13202	2.9
163.14795	2.7
182.16129	2.6
210.88239	2.1
266.08011	2.1
291.26019	3.6
294.07294	2.0
294.32144	1.9
308.26645	13.2
309.26935	100.0
325.10684	2.2
326.10019	9.7
326.23465	2.1
326.29712	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.6
55.05513	13.2
55.63512	2.9
57.07071	4.7
57.46321	2.6
67.05518	34.6
68.05843	19.9
69.07075	44.8
70.07413	18.1
71.08618	3.6
72.11223	2.9
73.28551	2.9
79.05498	12.8
79.67811	3.6
80.05844	3.7
81.07053	36.2
82.07397	20.4
83.04998	4.3
83.08643	25.0
84.08947	12.9
85.06503	3.2
85.26998	3.2
93.07037	19.7
94.07389	15.0
95.08603	36.8
96.08947	26.9
97.06550	5.1
107.08606	17.1
108.08904	6.3
109.10156	15.7
110.10476	14.9
119.08568	4.4
121.10139	12.9
122.10460	6.3
123.11745	5.4
124.12050	4.5
135.11673	5.7
136.12042	7.4
148.42059	2.9
153.12758	4.7
154.13094	12.1
155.13351	3.8
169.82028	2.9
204.35474	3.0
266.08237	5.8
294.07468	5.4
308.26700	15.7
309.26953	100.0
311.10498	4.2
326.10046	28.1
326.13507	4.6
326.29709	80.9
337.70416	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.305
Annotation	Semiplenamide C
Peak:m/z	Relative Intensity
55.05525	15.9
57.07073	4.2
67.05499	11.9
69.07074	34.7
81.07053	18.3
82.07438	2.1
83.08624	26.4
91.05473	2.9
93.07039	5.1
95.08607	19.1
95.09111	1.9
97.10171	16.4
105.06997	2.5
107.08590	2.9
109.10154	11.8
111.11741	4.8
121.10142	3.8
123.11689	3.6
123.47665	2.0
125.88956	2.5
128.86731	1.9
133.10057	2.9
133.98152	2.4
135.11687	2.3
156.45343	2.4
161.13342	2.4
179.22850	2.4
221.94199	1.9
230.45137	2.6
270.96326	2.3
308.25830	3.2
308.29367	11.9
326.10037	4.6
326.30396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95224	2.6
55.05520	39.5
56.53030	2.5
57.07082	52.5
67.05513	32.9
69.07073	100.0
71.08630	18.9
71.94011	2.3
72.00560	2.9
72.79893	2.3
75.50900	2.9
79.05490	4.6
79.22064	3.2
81.07063	63.9
83.08624	72.4
85.06526	3.8
85.10184	18.1
86.06073	3.4
93.07040	12.4
95.08607	67.8
97.06505	4.5
97.10166	71.1
105.07029	11.0
107.08582	11.7
109.10167	37.5
111.08088	4.5
111.11729	29.9
113.09669	3.4
119.08589	10.9
121.10149	19.6
123.11700	19.1
125.13224	10.7
127.11193	6.6
133.10143	7.0
135.11681	16.0
137.13246	15.9
139.11157	3.2
147.11697	16.6
149.13252	5.6
149.96907	3.5
151.11133	3.7
153.12851	2.9
158.20947	3.0
161.13271	7.1
165.12743	3.1
175.14838	6.4
177.16345	3.0
221.19116	3.3
273.25742	17.9
291.26749	29.7
308.29501	30.9
309.27814	14.1
326.30548	90.0
327.28906	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	37.4
57.03452	2.4
57.07081	40.0
58.48708	1.7
65.03900	1.8
67.05515	34.0
69.06702	3.4
69.07075	100.0
71.08638	41.1
79.05492	8.3
81.06616	3.5
81.07063	73.0
83.08631	84.6
85.06527	7.7
85.10179	17.7
91.05473	2.8
91.07187	1.9
93.07051	19.2
95.08610	78.9
97.06521	10.2
97.10171	69.5
99.08080	2.4
105.07037	9.8
107.08603	18.2
109.09455	2.8
109.10161	43.8
111.08094	4.8
111.11726	29.1
114.09171	4.2
119.08558	12.6
121.10130	22.2
122.36057	2.4
123.08039	3.0
123.11703	21.8
125.09602	4.0
125.13261	7.9
133.10136	20.6
135.11711	17.1
137.09612	7.7
137.13229	12.4
139.11134	4.0
147.11699	14.4
149.13260	3.2
151.11156	4.1
151.14798	2.3
155.14281	3.4
161.13255	10.6
163.14790	3.5
165.12704	6.8
175.14810	4.7
177.16348	3.3
179.14276	3.7
189.16380	3.3
193.15926	4.1
195.17488	2.3
203.18132	2.6
207.17392	4.1
260.44324	2.3
273.25763	17.5
275.35910	1.9
281.28336	4.6
291.26825	32.9
308.29565	31.5
309.27707	18.8
318.22171	2.4
326.30484	95.2
327.28925	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3052
Annotation	Semiplenamide C
Peak:m/z	Relative Intensity
55.03447	4.4
55.05518	44.5
56.27690	4.8
57.07084	63.2
67.05513	49.7
69.07070	97.8
71.08655	38.6
74.61902	4.6
76.47123	5.5
79.05505	9.8
81.07064	83.8
83.08625	83.2
85.06533	6.1
85.10178	25.8
88.05617	5.5
93.07040	21.7
95.08617	74.6
97.06517	5.4
97.10172	79.5
105.07024	4.9
107.08629	17.3
109.10167	48.0
111.08025	5.8
111.11718	24.0
117.72591	4.7
119.08585	24.8
121.10137	27.7
123.11684	23.5
125.09670	4.8
133.10144	19.3
135.11725	19.9
137.13293	7.2
141.12801	4.8
147.11684	12.0
149.13228	8.8
159.95557	5.4
161.13318	8.8
166.69148	5.2
173.67897	5.9
217.00336	5.3
234.21111	6.2
257.40182	6.0
261.89441	5.3
263.43317	5.4
266.08151	8.3
273.25699	10.0
291.26810	35.0
308.29419	43.2
326.10019	24.5
326.13504	9.8
326.18185	8.1
326.27399	6.5
326.30692	100.0
327.28824	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3051
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
53.63807	1.2
55.05518	8.6
57.07073	8.7
60.04525	2.1
62.06096	100.0
67.05502	8.6
69.07072	15.6
69.74371	1.4
72.92863	1.2
76.22966	1.3
79.05478	2.0
81.07066	9.5
83.08628	11.1
93.07033	6.7
93.80437	1.5
95.08630	14.1
97.10166	7.7
99.04443	2.1
107.08572	3.2
109.10168	5.4
110.22605	1.4
119.94087	1.4
121.10162	3.2
133.10130	1.8
135.11714	3.1
225.04485	1.5
291.19650	1.8
308.22144	1.8
308.29596	2.7
309.27975	7.4
326.10117	6.1
326.26907	5.7
326.30508	62.3
327.29074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.01116	0.8
57.07080	2.5
57.46398	0.8
61.39604	0.9
67.05501	2.2
69.06737	0.9
69.07072	9.1
71.08635	2.6
79.01212	1.0
81.07063	7.0
83.08624	8.4
93.07049	2.1
95.08611	7.2
97.10195	8.6
99.84594	1.1
109.10161	2.5
111.08085	1.3
111.11712	1.1
112.11246	1.3
121.10188	2.6
148.11909	1.1
181.04941	4.7
205.40390	1.2
282.07629	35.2
285.11084	1.6
291.26703	1.7
294.07623	6.9
296.05508	5.8
296.08774	1.3
310.07101	37.1
311.07870	39.3
326.10245	100.0
326.30539	9.2
327.28867	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15862	1.6
51.65087	1.7
54.29484	1.6
55.05490	2.4
57.07078	13.7
65.57930	1.6
69.07087	3.0
70.06586	12.5
71.08626	10.8
77.05858	1.8
78.26489	1.8
80.81200	1.6
81.07068	8.7
83.08618	1.9
85.10203	3.5
88.07627	100.0
92.66496	1.5
95.08608	4.4
107.56960	1.9
109.10185	2.9
126.49107	1.7
139.26599	1.7
145.72716	2.0
159.68248	1.7
238.03601	1.8
284.29562	3.9
285.29773	59.7
289.53818	1.9
311.65900	2.0
326.10242	12.1
326.13745	2.9
326.30582	66.4
326.34265	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25460	1.4
57.07068	1.5
71.08630	3.3
87.45305	1.7
88.07611	2.6
90.35408	1.6
92.87701	1.6
95.08543	2.4
102.09170	2.7
119.76300	1.5
177.57329	1.5
188.27644	1.5
248.20377	1.7
254.11890	2.1
256.26328	24.4
266.08105	3.8
285.29861	6.4
294.07620	3.2
326.10223	15.2
326.30750	5.3
326.34143	100.0
336.58276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58611	0.4
64.04005	0.4
66.71130	0.4
69.03439	0.6
79.75594	0.4
81.03411	0.7
83.04980	0.9
85.06520	0.6
91.11869	0.5
97.02897	0.6
97.06542	0.5
98.98453	0.5
99.04449	2.7
113.05964	0.6
121.06467	0.5
122.06034	0.7
136.07579	0.5
137.05977	2.0
138.05460	0.5
147.05513	0.7
148.03954	0.5
151.03894	1.0
163.07428	0.7
165.09050	0.6
166.04968	2.5
178.12299	6.3
179.43480	0.4
193.08533	0.5
194.04369	0.8
194.11807	0.7
222.11259	9.5
224.06982	3.8
224.12817	4.5
225.95633	0.4
232.09575	0.4
239.08730	0.4
249.12283	3.5
250.08363	0.8
250.10751	16.7
264.12253	4.0
267.13425	7.7
274.10660	7.7
282.07626	0.7
284.09253	3.1
291.13293	0.8
292.11771	11.9
295.07077	4.6
299.10257	2.6
302.29388	0.4
312.07904	0.7
312.11798	4.1
317.93198	0.5
327.09775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34247	0.3
53.58744	0.3
54.70962	0.3
60.67271	0.4
67.64133	0.3
70.06599	0.4
71.75193	0.3
75.47777	0.3
76.02491	0.3
79.32513	0.4
83.45653	0.3
94.81912	0.3
97.74439	0.4
115.64011	0.4
174.84023	0.3
224.07143	1.9
267.07672	0.7
269.06769	1.3
283.10791	0.7
284.09137	4.2
295.07227	4.0
299.10193	1.3
312.07446	1.8
312.11121	2.9
325.38785	0.4
327.09775	100.0
327.13358	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58611	0.4
64.04005	0.4
66.71130	0.4
69.03439	0.6
79.75594	0.4
81.03411	0.7
83.04980	0.9
85.06520	0.6
91.11869	0.5
97.02897	0.6
97.06542	0.5
98.98453	0.5
99.04449	2.7
113.05964	0.6
121.06467	0.5
122.06034	0.7
136.07579	0.5
137.05977	2.0
138.05460	0.5
147.05513	0.7
148.03954	0.5
151.03894	1.0
163.07428	0.7
165.09050	0.6
166.04968	2.5
178.12299	6.3
179.43480	0.4
193.08533	0.5
194.04369	0.8
194.11807	0.7
222.11259	9.5
224.06982	3.8
224.12817	4.5
225.95633	0.4
232.09575	0.4
239.08730	0.4
249.12283	3.5
250.08363	0.8
250.10751	16.7
264.12253	4.0
267.13425	7.7
274.10660	7.7
282.07626	0.7
284.09253	3.1
291.13293	0.8
292.11771	11.9
295.07077	4.6
299.10257	2.6
302.29388	0.4
312.07904	0.7
312.11798	4.1
317.93198	0.5
327.09775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	0.5
107.48148	0.2
221.09204	0.3
224.07011	1.0
225.68947	0.2
239.08226	0.4
255.11266	0.4
267.07642	1.1
269.06851	0.4
283.10828	1.0
284.09180	3.4
295.07117	2.8
299.10355	1.0
310.11093	0.3
312.07333	1.4
312.10919	0.6
327.09756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	Egonol
Peak:m/z	Relative Intensity
50.69311	1.6
51.84530	1.5
53.10762	1.8
53.59034	1.5
61.67437	1.5
67.05510	2.3
81.07066	3.4
93.07045	2.0
109.06481	2.5
111.04469	2.3
121.02867	8.2
123.04450	2.0
123.31413	2.0
137.05974	56.4
139.03738	2.1
143.04819	3.2
147.08011	2.7
149.09659	2.5
151.03935	7.6
151.07509	2.5
154.12204	3.2
163.07527	3.3
171.14833	1.9
175.07501	3.8
177.05463	3.0
191.07005	2.6
195.08018	2.2
207.08076	9.4
210.06506	2.1
211.07385	2.5
217.06506	4.7
218.07372	3.0
222.06636	2.4
223.07584	4.5
224.08347	2.3
225.09224	2.4
234.06705	6.9
235.07564	9.8
237.09074	4.2
238.09726	2.3
239.10672	3.3
240.07806	12.8
249.09070	39.3
251.07036	3.7
252.07797	4.1
253.08571	14.0
254.09436	2.3
262.06219	4.7
263.07028	3.6
265.08716	4.2
266.09445	3.6
266.19006	2.2
267.10205	15.5
269.08121	7.2
277.08563	50.4
281.08173	4.3
283.09653	11.4
284.10428	2.6
291.19501	4.6
294.09015	2.6
295.09650	11.2
296.10562	3.8
297.11148	3.0
299.12759	10.8
309.11139	24.3
319.08435	2.7
327.12256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1223
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
63.43425	0.9
98.98547	0.8
135.52531	0.9
141.78360	0.9
143.30759	0.8
164.12701	0.8
251.51404	1.0
266.09314	1.6
279.06485	1.7
283.09631	5.3
293.08063	26.7
294.08893	10.9
297.07626	6.7
311.09122	68.7
312.09946	5.3
327.12241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	2-METHYL-5,7,8-TRIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
57.07068	4.7
58.37444	0.7
59.74916	0.8
65.87447	0.7
67.05491	1.9
69.07058	2.0
71.08652	0.9
76.15815	1.1
81.07057	4.2
83.08585	1.8
85.10179	1.1
95.08597	4.4
97.10139	1.2
105.92616	0.9
109.10162	3.4
111.11703	1.3
121.10124	1.0
126.06667	1.2
147.37352	1.0
265.95352	0.9
282.08957	1.4
283.09662	1.4
293.08145	3.8
294.08884	18.6
297.07581	35.4
311.09152	13.2
312.09912	30.5
312.13269	1.6
327.12259	100.0
327.29044	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
55.01871	5.5
55.05518	1.7
57.07074	0.8
61.29533	0.7
61.40404	0.8
65.87824	0.7
66.53094	0.7
67.05506	1.1
71.08649	0.8
79.05476	0.8
80.49887	1.0
81.07045	1.9
83.08650	1.2
92.00872	0.8
93.07027	2.1
95.08620	1.6
97.02882	1.0
97.10149	1.3
100.61685	0.8
107.08593	1.2
109.10169	1.5
111.08067	8.8
118.07236	0.9
119.08562	2.0
121.10168	1.2
133.10039	0.9
137.09627	1.5
148.99492	0.8
153.09111	2.0
157.19325	0.9
163.11143	1.0
170.71860	0.8
172.52843	0.8
188.32002	0.8
255.70090	0.9
263.20056	1.3
266.09387	5.4
281.07919	1.1
282.08997	1.0
283.09616	1.8
291.19510	11.7
293.08063	26.9
294.08862	17.8
297.07550	1.5
309.20554	1.6
311.09119	77.7
312.09882	12.9
327.12253	100.0
345.33481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03951	8.2
55.01887	2.0
55.05520	2.4
55.57324	0.9
57.03435	1.6
57.07068	6.4
67.05516	9.7
69.03430	28.8
69.07078	2.2
71.01360	2.0
71.04981	4.9
74.36674	1.3
79.05512	2.4
81.03421	22.6
81.07060	8.0
83.04961	9.3
85.02924	10.9
85.06546	11.6
91.05491	2.0
93.07043	8.5
95.04974	11.9
95.08586	2.4
97.02895	3.0
97.06548	10.5
99.00791	1.8
99.04458	100.0
105.07047	2.8
107.04955	1.7
109.02860	5.5
109.06514	7.2
111.04429	2.7
111.08067	1.8
112.18411	1.3
113.06002	16.8
119.08577	2.6
119.51730	1.1
121.06527	2.9
123.04424	2.4
123.08059	4.9
125.05974	2.1
127.03894	17.2
127.18300	1.2
133.06502	1.9
135.08081	1.2
137.09595	1.7
139.07544	5.3
145.04939	1.5
147.08047	4.8
151.07547	8.0
155.07079	1.6
165.09125	2.3
175.07607	1.8
181.08531	1.3
193.08618	9.4
211.09714	9.0
229.10725	6.4
243.08644	6.2
249.41356	1.2
273.67734	1.3
297.09570	8.9
309.13428	2.2
312.11816	24.1
327.14212	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.7
55.01888	2.6
57.03431	2.7
57.07077	5.3
58.06606	4.9
60.23464	1.8
60.92060	1.8
63.72073	1.8
67.05505	10.2
69.03437	33.6
69.07059	2.0
71.05002	4.9
81.03424	33.0
81.07066	9.6
83.04975	11.7
85.02905	14.0
85.06536	12.6
91.05506	2.7
93.07049	11.4
95.04972	13.4
95.08573	2.0
97.02937	1.9
97.06519	14.1
99.00800	2.5
99.04454	100.0
100.43804	2.2
105.07047	2.8
109.02885	8.7
109.06514	9.2
111.08096	3.7
113.05994	14.5
119.08555	3.0
119.95425	2.7
121.06528	3.7
123.04418	4.1
127.03928	20.4
135.08015	3.1
137.05988	3.5
139.07545	4.3
147.04366	9.5
147.07985	2.4
151.07559	3.5
154.59306	2.5
171.06474	2.6
174.32906	2.0
193.08585	4.1
211.09627	8.8
229.10658	2.8
243.08542	4.0
297.09366	2.9
312.11786	20.4
327.14334	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1437
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03957	4.4
53.87874	2.1
55.01887	2.8
57.03421	2.5
57.07075	3.6
64.27750	1.7
67.05497	9.1
68.33341	2.1
68.56713	1.6
69.03431	24.2
69.07038	1.9
71.01353	2.3
71.04997	4.5
79.05494	2.6
81.03425	24.6
81.07060	4.7
83.04975	8.1
85.02887	15.6
85.06554	10.0
91.05482	2.5
91.97408	1.9
93.07034	9.3
95.04957	11.1
95.08607	3.0
97.02890	8.7
97.06535	14.6
99.04453	100.0
105.07020	2.6
109.02901	4.9
109.06525	11.2
109.10146	2.7
111.04425	2.8
111.08082	2.7
113.06001	12.4
115.67909	1.9
116.04357	1.9
119.08592	3.6
121.06487	8.3
123.04496	3.6
125.05981	3.1
127.03915	11.8
133.06497	2.9
137.05983	4.3
139.07568	4.4
151.07526	3.7
151.35458	1.9
163.07500	2.8
165.09154	3.0
181.08534	3.1
190.59523	2.2
193.08635	9.1
211.09624	10.1
213.84578	1.9
221.32271	1.9
229.10715	4.9
266.11328	13.4
267.11990	2.3
284.06851	3.4
297.09662	2.7
299.09024	2.8
311.11221	2.7
312.08313	4.9
312.11865	95.9
327.14224	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
65.00310	1.0
67.56535	1.0
69.03397	1.6
72.38515	1.2
75.86920	1.1
85.02879	1.2
91.05492	2.8
103.05472	9.6
105.07029	7.1
107.04951	1.7
109.06517	1.6
119.04929	1.4
121.06503	7.2
122.03661	1.7
123.04420	8.5
131.04929	20.6
133.06483	36.8
135.08061	13.0
137.05980	100.0
143.04913	1.5
145.06491	11.4
147.04430	10.0
147.08032	1.9
151.07545	11.5
157.06535	5.5
163.07544	57.8
165.05501	2.3
171.08038	2.1
175.07494	1.9
181.08635	1.8
187.07721	1.5
189.09238	1.4
235.11151	2.2
237.85294	1.5
246.42282	1.4
263.10776	5.4
277.08698	1.8
295.13226	14.0
327.16220	20.9
327.23392	1.4
344.66907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.76660	0.8
54.20927	0.8
58.06598	1.1
81.07072	0.9
82.33130	0.9
85.08080	0.9
89.06031	2.0
91.05496	1.4
91.68383	0.9
93.98917	0.9
103.05471	10.3
105.07050	7.4
107.04973	1.5
109.06544	4.2
111.75902	1.0
117.07022	1.9
121.06509	6.6
121.31146	1.0
123.08007	1.2
131.04933	21.4
133.06493	39.2
135.08055	12.1
137.05980	100.0
143.04926	0.9
145.06479	9.6
147.07990	1.2
151.07538	11.5
157.06493	4.1
163.07545	58.7
171.08035	1.8
175.07486	2.3
177.09113	1.6
187.07564	1.3
189.09254	1.1
198.23131	0.9
212.56436	0.9
235.11113	1.9
263.10608	5.2
295.13272	18.6
327.15961	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1953
Annotation	Malabaricone A
Peak:m/z	Relative Intensity
52.93502	0.8
55.01882	1.4
55.05520	2.0
57.03433	1.6
57.07057	1.1
67.05510	4.9
69.03413	1.2
69.07072	2.0
71.04988	3.2
71.60786	0.7
72.08200	0.7
73.75764	0.8
79.05505	4.5
81.07062	11.6
83.04989	3.6
83.08627	3.5
84.72771	0.9
85.06554	2.1
91.05478	4.2
93.07056	9.0
95.04961	1.6
95.08609	7.6
97.06531	7.0
97.10191	1.5
98.98469	0.9
105.07018	9.7
107.04967	3.1
107.08597	9.6
109.06519	5.4
109.10139	4.1
111.08096	4.9
117.07041	1.3
119.08585	8.0
121.06544	3.9
121.10127	3.2
121.89922	0.8
123.08080	7.3
125.09612	1.1
128.06297	1.0
129.07047	1.0
131.08572	11.0
133.10153	4.7
135.08073	5.3
137.09630	4.6
142.07814	1.0
143.08543	6.8
145.06487	1.4
145.10144	8.1
147.08034	7.0
147.11668	1.8
149.09639	8.4
150.68234	0.8
151.11151	1.0
155.08582	4.1
157.10132	7.2
158.07266	0.9
159.08090	3.7
159.11667	1.6
161.09613	8.1
161.13252	1.0
163.07640	1.1
163.11218	3.3
169.10115	3.8
171.08034	1.6
171.11751	3.4
173.09604	17.9
173.13274	1.0
175.07677	0.9
175.11203	4.2
177.12820	1.5
181.10133	1.7
183.11761	4.1
185.09676	1.4
185.13298	3.4
187.11176	3.8
191.10719	3.2
193.10330	1.3
195.11783	4.3
197.13399	2.0
199.11240	3.2
201.12703	1.7
207.11708	1.8
208.12427	1.3
209.13304	3.4
211.11237	1.0
211.14905	3.6
213.12766	1.2
223.14784	2.1
225.12776	1.0
225.16315	0.9
233.13329	1.3
237.16432	1.8
249.16371	3.7
251.14406	5.4
260.47369	1.0
265.15903	2.0
267.17529	5.1
270.16129	5.9
273.18463	1.8
281.18964	1.8
291.19537	4.0
295.20651	10.1
309.18460	14.6
327.08804	1.5
327.19601	100.0
327.23218	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.54882	2.4
55.01643	3.4
55.01886	61.9
55.05529	22.1
57.07082	3.0
61.16910	2.6
67.05510	27.4
69.03442	5.6
69.07065	18.4
71.01345	2.6
71.04999	5.0
71.08624	21.0
79.05484	14.8
81.03415	3.6
81.07069	26.5
83.04990	3.8
83.08628	23.1
91.05468	13.4
93.07040	29.6
95.04945	11.2
95.08615	49.4
97.02899	10.8
97.06549	5.1
97.10196	6.2
99.04422	3.0
99.08090	14.8
105.07019	7.0
106.82936	2.6
107.04979	4.6
107.08581	22.3
109.02914	3.1
109.06508	3.6
109.10164	32.5
111.00834	3.3
111.04456	6.9
111.08090	83.5
119.08552	20.4
121.06474	6.4
121.10165	5.6
123.08083	5.2
125.09648	5.0
131.08549	5.0
133.10149	5.5
135.08061	3.4
135.11711	3.6
137.09636	30.1
143.08511	3.2
145.10121	4.2
147.08098	4.8
147.11726	10.3
149.09624	6.6
151.11150	3.5
153.09105	22.9
155.10684	3.6
161.09654	4.7
163.11143	4.6
165.09125	19.9
173.50613	2.7
179.10686	13.8
181.12216	3.9
184.44969	2.5
191.81046	2.9
193.12411	4.6
195.10300	12.8
203.17960	2.8
245.18935	20.9
246.96953	3.4
253.12106	3.7
263.20001	17.9
267.13834	4.1
273.18488	17.1
277.21658	3.5
291.19547	100.0
295.22708	4.3
296.58136	3.2
298.07806	4.1
309.20642	31.3
309.23776	4.6
327.09891	6.8
327.15878	17.2
327.22791	5.1
327.60004	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96212	7.0
53.04754	6.4
55.05525	10.3
67.05510	46.2
69.07069	40.5
70.64243	6.8
79.05495	19.8
81.07046	38.7
83.08649	9.6
85.06537	7.8
91.05486	37.1
93.07042	100.0
95.04964	84.5
95.08607	80.0
96.34077	7.5
97.06523	32.5
105.07039	59.3
107.08577	65.3
109.10182	58.6
111.08102	13.8
117.06965	11.2
118.39371	7.2
119.08604	69.1
121.10147	43.1
123.08085	52.0
131.08577	36.4
133.10135	52.0
135.11679	33.6
137.09621	10.1
140.10690	31.7
145.10123	47.8
147.11705	18.5
154.12296	40.7
157.10133	43.4
157.13379	11.2
159.11729	54.0
161.09612	10.7
168.13979	8.3
171.11624	13.0
171.14854	11.3
173.11774	11.2
173.13161	14.4
175.14900	12.8
185.13155	11.4
187.11224	11.0
187.13303	11.1
187.14861	18.1
235.14842	10.3
273.55328	9.2
296.25848	14.8
327.10760	10.1
327.23068	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95502	2.1
67.05512	2.9
69.88500	2.0
71.04995	10.3
81.07061	4.0
85.06554	11.1
91.05492	4.5
93.07047	4.2
95.08585	2.7
96.25765	2.2
105.07047	4.4
107.08599	15.2
109.21426	2.0
119.08636	2.6
121.10139	3.6
123.08076	3.3
123.20743	2.6
129.07007	3.2
131.08575	4.4
133.10135	4.5
137.09624	3.0
143.08565	10.8
145.10141	13.0
155.08620	7.4
157.10118	13.8
159.11659	4.2
169.10152	12.5
171.11713	4.4
181.10138	2.5
183.11711	10.4
195.11734	10.7
197.13277	8.9
203.40720	2.4
209.13326	9.0
211.14935	17.5
215.76534	2.4
222.13931	2.4
223.14868	3.8
225.16438	18.8
237.16280	3.9
251.17934	15.2
252.18790	4.6
253.15898	10.4
253.19513	4.2
275.57230	2.0
277.19632	5.0
279.60687	2.4
295.20572	65.7
327.16867	2.4
327.23212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23347	1.4
51.94841	1.5
55.05513	2.5
56.52174	1.8
56.74203	1.5
57.03436	3.8
63.01273	1.7
67.05502	7.5
69.07077	4.0
71.04985	10.4
78.88607	1.7
79.05488	8.2
79.91474	1.7
81.07037	9.2
83.08593	2.7
83.67407	1.8
85.06547	17.7
91.05462	8.9
93.07026	15.0
95.04978	3.2
95.08591	10.2
97.10142	2.2
101.51939	1.8
105.07021	10.9
107.08602	17.9
108.29919	2.3
109.06516	3.2
109.10133	3.3
111.08036	2.1
117.06969	4.3
119.08562	9.1
121.06501	3.2
121.10136	7.5
123.08080	9.5
125.09647	3.1
129.06966	2.4
131.08574	8.2
133.10126	3.5
135.08038	2.4
137.05930	2.2
137.09650	3.0
143.08537	10.9
145.10106	10.8
149.09622	2.4
155.08611	6.2
157.10124	25.7
159.11702	3.8
169.10085	8.3
171.11694	11.5
181.10129	3.4
183.11649	8.6
185.13249	3.4
195.11687	14.8
197.13242	9.6
201.12592	2.2
209.13246	10.6
211.14792	21.9
221.13274	4.7
223.14772	3.1
225.16362	18.8
237.16389	9.5
248.15578	2.8
249.16411	2.6
251.17915	17.6
252.18759	3.6
253.15923	16.5
253.19534	3.0
273.18481	2.6
277.19559	12.5
291.19553	12.0
295.20535	63.7
327.23151	100.0
345.60803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42360	2.8
53.65866	2.6
55.01875	2.6
55.05516	5.1
55.97008	2.7
60.45293	2.5
67.05507	13.8
69.07063	4.7
70.06599	2.7
70.31205	2.6
71.04991	5.8
79.05516	9.3
81.07068	20.4
83.04963	3.9
85.06560	23.2
88.96516	2.5
91.05476	12.2
93.07028	13.1
95.04997	4.1
95.08606	13.0
97.06526	11.3
99.08117	4.7
105.07021	15.4
107.08599	16.6
109.06522	4.9
109.10191	4.0
111.08070	5.9
116.07063	3.5
117.07024	5.7
119.08588	11.3
121.06499	4.3
121.10112	7.1
123.08066	16.0
123.11806	2.9
123.31147	2.7
125.09613	3.9
131.08580	13.4
133.10132	6.0
135.11717	3.8
137.05983	14.0
137.09615	5.0
143.06062	2.7
143.08565	18.1
145.10114	12.7
147.08061	3.5
147.11708	5.9
151.03903	12.2
155.08559	11.7
157.10089	31.2
159.11768	10.0
165.12730	3.5
169.10138	10.9
171.11676	18.0
175.11273	3.4
181.10106	5.1
183.11661	11.5
185.13261	3.5
193.10219	3.5
195.11649	17.9
197.13245	6.6
201.12776	4.1
207.11833	5.0
209.13321	6.1
211.14842	21.5
221.13258	10.7
225.16374	13.5
237.16501	20.6
243.17595	5.1
249.09004	3.8
251.17967	12.2
252.18723	4.8
253.08661	3.7
255.17508	6.3
267.10077	5.6
277.19519	15.0
283.09604	3.7
291.19498	13.6
292.19855	5.1
295.09686	4.8
295.20569	76.3
295.23672	3.9
299.12805	3.7
309.22195	4.8
327.12598	39.8
327.23154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.8
57.03429	4.5
57.07080	11.8
58.81033	2.4
63.80373	2.5
66.63805	2.7
67.05170	4.8
67.05506	72.5
69.07075	33.8
71.08642	4.8
79.05494	16.7
80.32633	2.6
81.07056	100.0
81.84335	2.6
83.08639	22.2
85.06533	4.1
91.05482	21.6
93.07043	34.9
95.08611	97.9
96.54904	2.6
97.06524	6.3
97.10172	5.2
99.08105	6.5
105.07021	20.9
107.08578	23.9
109.10162	47.6
111.08080	16.5
119.08604	33.0
121.10132	29.8
123.08070	30.2
123.11682	22.9
127.11218	3.2
131.08585	6.8
133.10120	31.1
135.11694	30.2
137.09624	12.1
137.13248	11.8
143.08524	3.5
145.10118	5.2
147.11693	27.3
149.13258	11.4
151.14873	5.9
154.12317	3.8
159.11707	4.4
161.13272	27.3
163.14867	3.4
171.11731	3.8
173.13277	6.7
175.14821	7.0
183.82578	3.2
201.16251	3.2
211.77069	2.9
217.19495	70.0
225.16219	4.2
235.20576	60.9
260.63007	3.5
295.20471	23.4
296.25769	5.6
309.24380	19.8
323.56882	3.3
327.22644	23.6
327.26932	20.8
330.52600	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01879	1.4
55.04435	1.4
55.05511	9.6
57.03434	13.4
57.07077	8.1
57.23711	1.4
67.05508	18.3
69.07077	25.2
70.00996	1.3
71.08635	83.4
78.11713	1.6
79.05488	1.8
81.07056	22.5
83.08617	16.2
87.08102	3.1
91.05483	3.1
93.07039	7.3
93.07635	1.4
95.08607	25.0
97.06548	2.2
97.10167	15.1
99.08086	50.8
100.88621	1.5
104.65893	1.6
105.07005	2.7
109.10170	15.5
111.11729	7.4
119.08570	3.3
121.10121	15.4
123.11710	11.9
127.11198	4.1
127.40762	2.2
133.10168	1.7
135.11690	2.2
137.13266	2.2
140.93445	1.5
147.11768	3.0
151.14766	2.2
153.12773	2.2
158.93449	1.8
164.93742	1.7
166.74600	1.6
182.77243	1.6
186.03870	2.1
210.26044	1.7
217.19551	6.6
221.75432	1.7
271.22635	31.3
327.25323	100.0
327.28772	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05973	1.1
55.01880	2.2
55.05517	6.1
57.07089	1.4
59.79183	1.3
67.05505	15.6
69.07075	13.5
71.04974	2.3
74.18697	1.3
79.05506	9.7
81.07059	19.2
83.04977	2.4
83.08636	8.1
85.02875	1.4
91.05495	6.2
91.75721	1.2
93.07037	20.2
95.05009	1.4
95.08620	19.1
97.06546	2.7
97.10174	6.9
105.07015	2.1
107.08601	14.6
109.10159	14.3
113.09679	1.8
119.08587	6.7
121.10146	16.9
123.08094	2.6
123.11716	5.5
125.09647	8.5
133.10112	5.2
135.11729	5.5
137.09656	9.6
139.11182	7.8
143.00021	1.4
147.11763	1.7
149.13277	2.8
159.11679	1.7
167.14354	1.4
175.14825	1.5
181.12225	1.5
185.13277	2.1
193.15883	1.4
259.20624	1.8
265.08560	2.3
266.09406	2.5
277.21655	17.3
293.08054	23.7
294.08942	7.9
295.22708	25.3
297.07681	3.5
311.09125	60.4
312.09888	6.7
327.12305	100.0
327.15521	3.5
327.19739	5.6
327.25238	11.5
327.30994	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.6
57.03450	4.8
57.07087	2.4
61.55226	0.9
62.04234	1.0
66.44810	1.0
66.59634	1.0
67.05511	10.7
69.07072	9.3
71.05003	6.0
71.05412	1.0
71.08632	19.1
79.05508	2.4
79.66845	1.2
81.07060	15.3
83.08638	7.8
85.06561	1.2
89.67915	1.0
91.05521	1.9
93.07068	2.9
95.08592	14.3
96.65605	1.1
96.67157	1.0
97.10193	5.3
99.08092	10.1
105.07077	5.0
107.08620	4.6
109.10157	8.3
111.08114	7.7
119.08598	4.9
121.10160	2.7
123.08047	20.1
123.11745	2.7
133.10147	2.9
135.11711	1.7
137.06010	2.2
137.09682	4.8
145.10201	2.3
147.11757	2.6
151.14879	1.3
157.10118	2.2
159.11688	2.6
161.13292	2.4
171.11728	1.5
171.15010	1.3
183.30952	1.2
217.19640	2.4
235.20609	2.6
251.18175	1.1
253.15852	1.5
265.08798	2.4
266.09579	4.9
271.22607	11.4
276.07892	2.0
283.09940	1.7
293.08084	26.9
294.08902	11.1
295.20615	14.9
297.07565	10.8
311.09216	72.2
312.07791	1.0
312.10175	2.5
327.12402	100.0
327.23071	10.0
327.26126	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	21.3
57.03435	10.9
57.07083	35.1
67.05514	32.0
69.07072	46.5
71.08630	44.2
79.05492	4.7
81.07082	56.5
83.08618	26.8
83.94733	2.8
85.06546	18.6
85.10176	4.0
91.05472	4.7
93.07050	12.3
95.08627	58.0
97.06558	5.4
97.10181	20.4
99.08115	24.2
105.07067	6.3
107.08607	5.4
109.01074	3.1
109.07230	3.0
109.09534	2.6
109.10146	23.1
111.08089	3.1
111.11766	9.2
116.97179	2.7
119.08600	5.6
121.10119	10.6
123.11691	12.8
127.11209	3.6
131.18758	2.7
133.10109	4.1
135.11638	4.5
137.13220	4.8
143.69923	3.0
147.11736	2.8
150.17798	3.1
151.14839	3.2
161.13272	11.0
173.92551	2.6
217.19472	10.8
221.29851	3.0
235.20549	4.3
271.22656	18.5
292.27017	3.5
327.25372	100.0
327.31003	13.9
328.29459	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.8
61.77462	2.2
67.05523	21.1
69.07059	10.6
71.04983	5.9
75.06220	2.4
79.05494	14.9
81.07059	36.7
83.04985	3.4
83.08627	6.2
85.06538	4.3
91.05490	12.0
93.07040	16.8
95.04963	2.9
95.08615	33.5
97.10204	9.4
105.07051	4.7
107.04971	4.1
107.08585	24.0
109.10176	25.0
111.08073	3.2
117.07055	4.3
119.08582	11.5
121.10128	29.4
123.08060	4.6
123.11716	13.1
124.11225	11.5
131.08562	5.0
133.10120	9.9
135.11674	5.4
137.06018	23.7
138.12791	9.7
139.11217	5.1
147.11647	6.5
151.03906	5.3
153.09109	5.5
154.12257	3.0
157.10223	2.7
159.11697	4.9
167.10735	3.1
170.11763	13.6
173.11749	3.6
175.07542	3.1
184.13402	19.3
190.16034	3.1
229.19434	4.9
235.07561	5.8
246.22214	11.1
247.20628	6.0
249.09143	10.9
253.08720	3.2
264.23273	3.4
265.21661	10.4
266.09357	3.1
267.10211	6.2
275.19958	20.2
277.08551	16.5
281.08060	3.6
282.08386	3.0
283.09714	5.5
285.07635	3.5
286.07849	6.0
291.19501	3.4
292.22806	27.8
293.21030	32.1
298.07986	14.4
298.57953	4.8
305.08627	6.0
306.07346	3.9
307.08539	4.3
309.11234	3.2
310.23788	99.9
312.07657	15.5
319.08359	20.3
319.58868	5.5
320.09052	4.3
327.08969	40.0
327.12491	19.4
327.22662	3.6
327.26425	100.0
327.60019	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.2
56.47952	1.7
57.03451	2.2
57.07080	2.8
65.03927	1.9
67.05505	12.7
68.22598	1.7
68.63499	1.8
69.07083	17.8
71.04973	4.4
74.42862	1.5
79.05488	7.2
79.18285	1.8
81.07062	27.9
83.08635	11.3
85.06555	3.8
87.43440	1.9
91.05466	3.4
93.07030	24.2
95.08604	36.2
97.10153	4.8
99.08103	7.4
102.76939	1.9
105.07040	14.7
107.08589	30.4
109.10148	27.1
113.09616	7.6
119.08573	31.4
121.10115	26.2
123.11710	10.1
125.09608	2.4
131.08577	4.5
133.10147	15.5
135.11720	17.6
137.60832	1.7
140.72174	1.9
143.08580	3.9
143.15642	2.1
145.10109	29.2
147.11688	17.6
149.13287	7.9
157.10123	21.0
159.11696	37.8
161.13206	15.5
161.56093	1.9
169.10130	3.7
169.47668	2.1
171.11736	15.1
173.13248	17.9
175.14830	9.1
183.11717	7.6
185.13319	13.5
187.14859	21.1
197.13229	4.8
199.14873	11.6
201.16357	17.2
211.14870	4.1
213.16394	13.1
215.18008	2.9
225.16273	7.1
227.17953	10.1
239.17914	2.5
253.19528	12.4
257.22601	2.6
267.21185	4.8
269.22610	30.5
271.20483	2.2
309.25690	28.4
327.26846	100.0
327.30786	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2889
Annotation	11,15-Epoxy-3(20)-phytene-1,2-diol
Peak:m/z	Relative Intensity
51.52329	1.6
55.05500	7.2
57.03436	13.3
57.06828	2.1
57.07084	48.0
67.05494	9.8
69.07046	11.8
69.07363	1.8
71.08630	39.3
81.07069	13.9
82.07374	2.1
83.08613	8.7
85.10175	16.9
93.07038	2.0
95.08591	21.4
97.10153	4.2
100.18744	1.8
102.19604	1.8
109.10139	8.4
111.11658	1.9
117.93227	1.8
123.11740	2.5
134.61194	1.9
156.68495	1.8
190.33972	2.0
234.64536	1.7
260.55685	1.8
271.26224	1.9
318.94919	2.0
327.10223	4.5
327.28857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.1
57.07082	30.4
58.07415	2.4
59.63596	1.4
63.29784	1.4
63.41370	1.9
67.05503	9.9
67.36161	1.5
69.07064	14.9
70.07407	2.2
71.08632	21.6
72.04518	36.7
72.76901	1.5
73.70522	1.7
81.07061	15.9
83.08630	15.0
85.06577	1.9
85.10170	15.3
89.07153	18.7
95.08620	30.3
96.08948	2.1
97.10191	12.2
98.10499	2.3
99.08112	2.0
107.08565	1.8
109.10168	16.6
111.11712	6.7
119.08532	2.2
121.10168	2.4
123.11705	2.8
134.84592	1.7
135.11668	1.9
182.54465	1.7
239.23708	9.1
268.26135	2.7
310.27374	100.0
327.16278	2.0
327.30505	22.7
328.29251	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.6
55.05524	8.4
55.28434	1.8
57.03450	3.6
57.07087	22.8
62.23122	2.0
64.87260	1.9
67.05523	28.9
69.07071	26.9
70.22768	1.8
71.08636	12.1
74.02903	2.0
77.51491	1.9
78.22931	1.9
78.41071	2.3
79.05492	4.2
81.06600	3.4
81.07067	38.2
83.04938	2.3
83.08635	15.7
85.10197	4.1
85.50005	2.2
87.27903	2.4
93.07036	12.8
94.94970	2.1
95.08617	29.5
97.06524	4.7
97.10169	4.0
98.98520	2.6
107.08598	13.3
109.10152	20.9
119.08582	3.5
121.10161	15.7
123.08137	3.1
123.11736	3.1
131.08656	2.5
135.11687	15.2
145.10191	3.3
149.13252	5.4
153.09087	2.3
153.12769	29.1
161.13306	3.2
163.11237	2.4
174.59236	2.4
221.81551	2.7
261.22119	4.2
265.89883	2.3
279.23117	30.4
296.25827	100.0
300.37393	2.6
327.29126	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05578	2.6
55.05518	42.8
56.05853	6.6
57.07083	65.6
58.07397	13.9
61.82146	2.9
62.05960	2.8
67.05519	34.4
67.38739	2.8
68.05831	5.3
69.07073	100.0
70.07400	21.0
71.08620	23.5
71.51939	2.9
79.05495	5.9
81.07063	53.5
82.07382	26.6
83.08620	92.9
84.08959	29.5
85.10177	18.7
86.10551	5.5
93.07057	7.8
94.07371	4.8
95.08599	62.0
96.08931	24.5
97.06567	3.9
97.10162	61.0
98.10493	30.3
105.07047	13.0
107.08595	14.0
109.10159	39.3
110.10485	16.9
111.08060	4.9
111.11723	21.3
112.12019	6.1
113.09657	5.8
119.08591	8.1
120.08932	5.6
121.10155	12.5
122.10455	7.0
123.11681	14.9
124.12031	8.4
125.13300	4.4
125.19218	3.3
126.94323	3.4
127.11162	8.3
133.10138	16.0
134.10452	6.6
135.11642	5.8
136.12042	4.1
139.11104	4.0
139.14795	3.7
147.11697	7.2
148.12029	5.8
149.13191	5.1
150.13666	3.9
161.13197	4.6
162.13564	5.8
198.08650	3.5
209.69862	3.4
274.26135	7.7
292.27164	30.9
309.29865	41.3
310.28110	16.4
327.31064	97.3
328.29279	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21179	0.8
58.06609	66.7
67.00719	1.1
73.25516	0.9
96.74722	1.0
107.04955	21.8
121.06475	4.0
145.06494	4.7
147.04466	1.6
147.08052	1.0
148.07626	1.7
151.07579	1.6
163.07578	1.2
177.09116	1.8
189.09152	6.1
206.11684	1.1
224.07054	4.3
225.07837	1.9
226.08621	1.2
251.06891	1.5
252.11516	1.3
254.08006	3.6
256.09738	2.0
263.68515	1.0
265.08554	8.5
268.10629	1.2
269.06830	12.5
283.09778	4.3
283.13364	7.4
284.09174	90.0
284.12442	3.7
296.05652	4.7
312.12317	5.7
313.13062	15.2
328.08194	100.0
328.15411	72.7
328.19141	63.1
352.62793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56963	0.5
55.01883	0.5
58.06609	18.7
67.05508	1.0
67.47337	0.4
69.03429	1.0
71.04964	0.5
81.03423	0.9
84.08164	0.5
84.52026	0.6
85.02897	2.0
86.06052	0.7
87.04464	0.5
88.15906	0.5
91.05468	0.7
97.02877	2.5
98.06035	2.3
99.04440	2.3
105.07037	0.7
106.06561	0.6
120.08118	5.1
120.85365	0.5
121.02831	1.7
121.06506	3.7
124.07550	0.8
127.03908	1.1
132.08127	6.0
136.07559	0.6
137.05981	1.1
138.05519	5.8
138.09111	0.7
144.08122	0.6
147.04498	0.6
148.11177	1.0
150.09204	0.7
154.04988	0.9
161.06898	0.8
164.07054	0.6
166.04964	3.9
166.08655	5.2
166.12270	1.0
178.08658	1.2
194.08130	0.9
198.09053	0.6
203.68027	0.5
223.07571	1.0
226.08739	0.6
228.10304	0.6
237.09099	1.1
238.08623	7.1
239.09320	1.0
246.11194	0.9
251.07051	4.9
254.08023	5.2
255.08781	8.7
256.09741	5.1
264.12302	4.6
265.08578	29.8
266.08105	15.5
268.07343	0.9
269.06778	1.1
282.07593	9.2
282.13477	0.7
283.09824	6.4
284.09171	35.9
292.11890	3.8
300.08710	0.6
310.07068	5.5
310.12735	14.3
328.08139	100.0
328.15201	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91706	0.5
55.33923	0.5
58.06605	39.4
66.57792	0.5
70.08288	0.5
79.41199	0.6
92.20957	0.8
95.04977	0.6
107.04951	18.7
109.09658	0.6
119.04944	1.0
121.06483	1.3
134.24068	0.7
140.49452	0.6
145.06506	3.0
151.07558	11.5
163.06288	1.1
163.07562	1.0
174.06772	0.8
176.07066	1.2
178.08618	64.3
189.09103	4.0
206.11751	1.1
224.07089	3.0
225.07843	1.2
226.08669	1.3
233.95079	0.7
252.11458	1.3
254.08069	3.1
256.09583	1.3
268.10873	0.9
269.06790	13.0
283.10370	0.7
283.13138	5.7
284.09155	87.0
296.05484	4.2
298.10861	0.8
312.12207	0.9
313.13156	6.7
328.08154	100.0
328.15390	53.7
328.19104	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	3.6
61.02942	0.4
70.06574	0.4
85.06535	0.8
86.06847	0.4
94.04456	0.4
108.63384	0.4
121.02861	1.4
137.70084	0.4
147.27876	0.4
192.10158	0.9
213.04587	0.4
221.05943	0.6
225.09157	0.5
226.08685	0.6
233.78824	0.4
238.08591	7.1
239.09424	0.9
253.08508	0.9
254.08104	9.0
255.08830	10.6
256.09680	6.2
265.05942	0.4
265.08618	2.4
266.08112	19.8
269.06766	0.5
282.07599	9.3
283.08530	1.9
283.68204	0.4
284.09161	38.0
300.08691	0.8
300.12070	0.7
310.06912	2.9
313.09360	0.6
328.08139	100.0
328.11389	5.1
328.15402	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62225	0.3
55.01921	0.3
55.68416	0.3
58.06601	2.5
60.72541	0.3
84.13326	0.3
85.02907	0.5
86.02407	0.7
121.06420	0.6
132.08096	0.5
137.05978	0.9
138.05502	0.9
141.66644	0.5
153.95224	0.4
159.70613	0.4
166.04906	0.5
178.08612	1.3
212.72963	0.4
221.06012	0.6
235.07303	0.5
238.08557	4.1
239.09370	0.8
253.08627	1.4
254.08089	7.6
255.08861	9.0
256.09601	4.3
258.68878	0.4
265.08707	5.2
266.08099	16.5
282.07596	7.6
283.08624	0.9
284.09161	31.3
300.08600	0.6
310.07056	4.3
310.12842	0.7
328.08139	100.0
328.15344	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21179	0.8
58.06609	66.7
67.00719	1.1
73.25516	0.9
96.74722	1.0
107.04955	21.8
121.06475	4.0
145.06494	4.7
147.04466	1.6
147.08052	1.0
148.07626	1.7
151.07579	1.6
163.07578	1.2
177.09116	1.8
189.09152	6.1
206.11684	1.1
224.07054	4.3
225.07837	1.9
226.08621	1.2
251.06891	1.5
252.11516	1.3
254.08006	3.6
256.09738	2.0
263.68515	1.0
265.08554	8.5
268.10629	1.2
269.06830	12.5
283.09778	4.3
283.13364	7.4
284.09174	90.0
284.12442	3.7
296.05652	4.7
312.12317	5.7
313.13062	15.2
328.08194	100.0
328.15411	72.7
328.19141	63.1
352.62793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79580	2.2
61.02939	2.9
69.03422	5.3
72.04513	16.0
80.04978	3.5
85.02905	18.6
89.95603	2.2
94.06563	2.7
95.79890	2.5
96.47695	2.5
97.02845	9.9
108.04476	11.6
110.06029	11.6
112.53416	2.4
119.27120	2.4
122.05989	2.7
123.04424	2.8
127.03851	4.0
134.06027	12.2
135.05548	9.6
136.03908	3.8
136.07632	17.3
137.06006	27.8
146.05984	3.7
147.05493	14.8
148.03932	13.7
149.05974	16.1
150.05495	4.5
151.08662	5.7
160.03908	10.2
160.07578	2.7
161.07091	4.7
162.05484	21.1
163.05020	3.9
166.05000	9.5
166.07285	5.1
166.08627	100.0
176.06993	5.1
178.04930	22.8
178.08635	5.8
179.08191	34.9
180.06560	5.5
186.05574	3.6
190.04932	20.7
192.06830	2.3
195.07713	3.4
202.05037	5.6
204.06554	13.6
205.06071	4.7
206.04469	25.6
208.06023	24.8
210.07544	4.7
221.09216	3.4
223.07123	63.9
225.08757	19.8
233.05595	15.1
234.04005	32.8
238.08130	2.8
244.06444	3.7
247.07108	4.5
248.05420	9.6
250.08173	20.1
251.06606	60.1
258.03943	11.7
265.08221	11.7
268.09274	81.2
275.06671	26.4
276.05035	11.8
287.01880	2.8
289.90573	3.0
292.08942	15.8
293.07645	88.5
311.08661	11.7
328.10901	15.8
328.14420	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1176
Annotation	Erythbidin B
Peak:m/z	Relative Intensity
57.51463	0.5
57.55613	0.5
58.06606	57.9
70.06580	0.7
91.05457	0.8
95.98058	0.6
103.18436	0.6
107.04951	28.1
121.06536	3.2
137.05972	0.9
145.06493	4.1
147.08038	1.2
151.07527	10.1
151.08647	0.8
159.08025	0.7
163.07585	1.1
165.09116	2.3
174.06760	0.8
176.07016	0.6
176.08389	1.1
177.09143	0.9
178.07062	1.2
178.08633	32.7
180.14767	0.6
189.09088	6.6
206.11761	0.9
207.12337	0.8
239.09341	0.7
240.10214	4.1
252.11594	1.9
254.08133	1.2
265.08679	1.0
268.09586	33.9
269.10446	8.7
283.10095	1.0
283.13181	9.6
284.09216	2.7
284.12772	23.5
285.14813	1.1
298.10754	6.5
300.12183	0.9
312.08624	12.8
312.12271	3.6
313.09390	4.3
313.13062	12.2
328.08545	4.1
328.11746	100.0
328.15417	56.3
328.19080	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51463	0.5
57.55613	0.5
58.06606	57.9
70.06580	0.7
91.05457	0.8
95.98058	0.6
103.18436	0.6
107.04951	28.1
121.06536	3.2
137.05972	0.9
145.06493	4.1
147.08038	1.2
151.07527	10.1
151.08647	0.8
159.08025	0.7
163.07585	1.1
165.09116	2.3
174.06760	0.8
176.07016	0.6
176.08389	1.1
177.09143	0.9
178.07062	1.2
178.08633	32.7
180.14767	0.6
189.09088	6.6
206.11761	0.9
207.12337	0.8
239.09341	0.7
240.10214	4.1
252.11594	1.9
254.08133	1.2
265.08679	1.0
268.09586	33.9
269.10446	8.7
283.10095	1.0
283.13181	9.6
284.09216	2.7
284.12772	23.5
285.14813	1.1
298.10754	6.5
300.12183	0.9
312.08624	12.8
312.12271	3.6
313.09390	4.3
313.13062	12.2
328.08545	4.1
328.11746	100.0
328.15417	56.3
328.19080	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1168
Annotation	Penicidone A
Peak:m/z	Relative Intensity
58.06596	3.1
79.23027	0.6
100.01630	0.6
142.39482	0.8
164.37697	0.7
174.02962	0.7
220.82054	0.7
223.09943	0.9
240.10204	6.2
251.25255	0.7
258.32611	0.7
265.08582	1.2
268.09677	27.0
268.12460	1.2
269.10480	10.4
270.61267	0.7
284.09555	2.3
284.12769	28.5
298.10712	0.8
306.09464	3.0
312.08752	14.8
312.12375	3.6
313.09464	7.0
313.13092	3.3
320.09155	4.6
328.11798	100.0
328.15408	11.9
328.18878	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	8.5
69.03422	6.3
72.08153	7.1
73.02911	2.1
80.38105	1.4
84.04451	2.9
85.02896	3.3
86.06086	2.4
87.03186	3.1
91.05498	7.4
95.28408	1.4
97.02882	11.9
98.06097	1.5
99.04443	2.8
102.53801	1.4
105.07047	2.4
107.04942	3.9
112.03987	2.4
120.08105	49.3
127.03917	11.0
129.07005	1.6
130.06520	3.2
131.04942	2.9
132.07135	3.1
132.08095	62.6
137.05948	2.0
143.05775	9.3
144.06523	1.7
144.08051	7.3
145.06503	1.8
150.05519	21.4
151.05879	12.8
154.36549	1.5
161.06859	8.7
162.09140	6.2
164.07056	2.2
166.07364	3.7
166.08601	17.9
171.08041	6.1
174.09164	1.7
176.07100	2.1
178.08630	32.3
179.08992	11.6
198.09160	9.7
228.10133	2.1
242.10951	1.6
244.09682	11.0
246.11234	11.0
264.12305	36.0
265.08655	3.0
282.13293	3.4
287.10980	8.1
292.11789	26.5
310.12833	100.0
328.08099	9.2
328.13797	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1389
Annotation	Sesbanimide A
Peak:m/z	Relative Intensity
60.62685	0.6
61.54784	0.6
71.10789	0.7
74.04285	0.6
85.02907	0.8
85.06522	0.7
89.88188	0.7
92.07728	0.7
111.77721	0.6
123.09640	0.7
131.04935	0.7
137.05983	4.1
140.17755	0.7
149.06024	1.0
149.08115	0.7
150.84721	0.6
151.07588	0.7
164.07088	5.8
165.07399	0.8
166.08638	13.9
174.07584	5.0
178.08624	44.5
190.08536	6.1
208.09685	1.6
250.10701	1.1
254.94591	0.7
292.11813	10.2
310.12836	100.0
328.13907	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26375	1.0
59.87296	1.1
61.35735	1.1
67.06980	1.4
69.03417	6.3
71.65220	1.0
72.13821	1.1
73.02917	1.2
73.30321	1.1
81.03395	1.7
85.02899	13.1
91.03969	1.6
97.02883	5.8
109.02840	1.1
121.06507	1.8
123.04412	2.1
127.03944	6.2
131.04968	1.4
137.05974	24.3
149.05963	17.2
151.07495	2.0
156.06627	2.0
164.07121	1.8
166.08617	93.2
168.33839	1.2
174.07579	8.7
176.13600	1.3
178.08603	29.2
180.06535	2.0
190.08638	2.2
230.23592	1.2
250.10666	1.5
287.06580	1.2
292.08536	2.1
292.11768	4.4
310.12839	69.6
310.16449	2.6
328.13898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96284	0.3
58.35327	0.3
65.32478	0.3
69.03419	0.4
85.95812	0.3
89.43357	0.4
91.05482	2.4
93.07027	3.8
95.04981	0.5
96.04514	2.0
97.02887	0.6
99.04446	0.4
101.02331	0.4
103.05474	2.3
107.04952	1.6
111.04456	4.1
112.05096	0.5
120.08120	3.9
121.06506	100.0
123.89302	0.5
126.05522	0.4
127.03873	0.5
128.07071	2.7
132.08102	0.8
172.06050	8.3
190.07106	6.3
192.10213	0.5
244.09633	0.5
246.11273	1.6
264.12482	0.8
283.90283	0.5
292.11832	6.9
310.12839	37.7
328.13892	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
58.06605	6.3
62.19947	0.7
63.79300	0.7
66.90293	0.7
69.03424	6.1
70.06601	7.9
70.38271	0.7
71.04964	1.2
71.28151	0.7
81.03425	8.6
84.84728	0.8
85.02895	3.7
86.06070	39.0
86.09700	1.7
97.02884	17.2
98.06053	100.0
99.04440	5.3
109.02868	10.4
110.06034	2.0
110.09667	0.9
112.07573	1.0
116.07071	0.8
124.07574	3.7
126.05499	9.9
127.03933	7.5
128.07072	1.1
138.05583	1.0
138.09132	19.6
140.07037	4.7
142.08627	3.7
148.07571	1.0
150.09184	1.3
152.07079	1.1
164.07047	3.3
166.08679	4.4
170.08098	3.9
176.07161	1.1
182.08131	15.3
194.08115	53.4
212.09155	28.3
213.15947	1.0
230.10196	18.4
265.08521	10.5
283.09644	1.3
292.11749	6.3
310.12805	4.6
328.08096	1.7
328.15341	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90629	0.3
58.06607	8.4
59.01071	0.3
60.20358	0.3
66.61230	0.3
70.06592	1.6
75.36597	0.3
91.44604	0.3
92.20959	0.4
98.35836	0.3
178.08578	0.9
181.11952	0.4
190.08685	0.6
219.08144	0.5
225.15088	0.4
237.09183	0.4
265.08652	3.0
267.12476	0.8
268.07318	1.5
282.08960	0.6
283.09570	5.3
284.12820	4.4
285.11124	0.8
296.12869	0.8
297.11346	1.9
312.12241	9.7
313.13052	17.4
328.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1543
Annotation	Lastourvilline
Peak:m/z	Relative Intensity
52.90125	0.2
54.15041	0.3
57.21897	0.2
57.42930	0.2
58.06609	8.7
59.48980	0.3
95.52888	0.3
107.04957	3.7
121.06455	0.4
145.06488	0.6
151.07495	2.2
152.07082	1.7
163.07582	0.3
165.09106	11.2
174.06798	0.6
176.07069	0.5
178.08656	1.9
179.10696	1.7
189.09111	1.2
206.16591	0.4
251.67274	0.3
252.11462	0.5
252.68893	0.4
268.10767	0.4
282.14896	0.5
283.13290	1.6
284.09225	2.5
297.13715	0.7
298.10925	2.2
299.11560	1.8
310.14313	0.7
312.09207	0.4
312.12280	30.8
313.13086	32.6
328.08502	2.5
328.15463	100.0
328.19055	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	(+)-Coreximine
Peak:m/z	Relative Intensity
54.90633	0.6
58.06609	22.7
59.79615	0.7
63.98782	0.9
67.10169	0.7
70.06596	4.4
71.07388	1.3
72.08158	41.5
91.05493	1.5
97.02905	1.3
97.45893	0.7
101.19139	0.8
104.07755	0.8
104.33642	0.8
114.54324	0.8
120.08115	5.9
121.06521	3.8
127.03990	1.0
132.08101	21.0
143.05719	0.9
144.08078	1.0
163.51712	0.8
166.07274	1.0
166.08646	3.2
178.08650	9.3
192.90656	1.0
198.09212	1.7
199.07516	0.9
201.09090	1.1
223.07597	4.6
229.08536	5.5
244.09753	3.4
251.07028	4.6
252.07884	1.4
252.28406	0.8
257.08228	1.2
264.12451	4.1
264.69467	0.9
268.07425	4.0
283.09665	5.3
287.11041	7.6
287.13776	0.9
292.11783	4.5
310.12787	16.0
328.15454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1543
Annotation	Thebaine N-oxide
Peak:m/z	Relative Intensity
56.36190	0.4
56.67846	0.4
57.22467	0.4
58.06611	43.4
83.53833	0.4
99.55581	0.5
107.04959	5.6
121.02864	3.9
121.06519	1.0
124.61144	0.5
130.00865	0.5
132.08113	0.8
137.06047	0.9
145.08640	0.5
160.07558	2.3
160.11023	0.5
160.42848	0.5
161.05972	1.2
163.07550	2.2
165.07132	0.6
179.08481	0.5
190.08606	1.1
191.09500	0.5
192.10202	2.7
193.06558	4.8
195.08083	2.7
197.09619	0.5
207.07991	8.3
209.09430	0.6
210.06793	0.6
221.05956	9.4
221.10312	0.8
223.07474	4.1
225.09081	8.3
235.07538	8.6
237.09097	2.4
239.10588	0.8
242.09137	0.6
251.06992	4.4
253.08559	17.3
255.10179	2.5
265.08710	3.8
267.10141	4.5
283.09631	1.2
284.09531	0.7
285.11166	6.9
294.11337	0.7
295.11960	1.1
312.12427	0.6
313.13083	5.4
328.08319	2.6
328.15436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Thebaine N-oxide
Peak:m/z	Relative Intensity
50.39663	0.6
52.94154	0.7
58.06606	36.3
59.17788	0.7
86.06075	2.9
97.02870	1.6
98.06042	9.2
99.04435	1.2
107.04968	4.6
109.02863	0.8
116.07104	3.4
120.08057	1.0
121.06465	1.2
123.04422	4.5
138.09148	1.5
166.08612	1.5
175.07552	0.9
181.06491	1.1
190.08652	3.7
192.10323	0.9
194.08105	6.0
205.06526	2.9
205.11023	1.4
206.08105	1.3
207.07999	1.0
212.09125	3.0
221.10442	1.0
222.06737	0.8
222.11243	0.9
223.07487	6.9
230.10213	1.5
233.05885	3.1
237.09187	4.1
240.10080	0.8
251.06985	23.7
251.09448	1.3
252.07709	1.1
255.10052	5.4
264.12271	0.9
265.08566	29.4
268.07242	5.2
269.10397	0.8
282.11179	1.1
283.09625	31.7
285.11261	1.5
310.12872	1.6
313.09583	1.4
313.12918	1.7
328.11981	5.8
328.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1541
Annotation	BOLDINE
Peak:m/z	Relative Intensity
50.89390	0.2
58.06608	6.3
60.50463	0.3
67.00543	0.3
70.06570	0.3
84.50532	0.3
87.39627	0.3
89.25225	0.3
101.19340	0.3
103.93850	0.3
106.59518	0.3
149.81578	0.3
162.15048	0.4
178.08658	0.4
191.09398	0.4
202.13678	0.3
221.10519	0.3
249.11340	0.6
265.08578	1.9
266.11731	0.5
267.12439	1.1
268.07217	0.6
283.09549	3.1
284.12759	5.0
285.11234	0.4
293.87311	0.4
296.12842	0.7
297.11197	1.4
298.10812	0.6
312.12247	10.8
313.13062	21.8
328.15424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Lastourvilline
Peak:m/z	Relative Intensity
51.85101	1.1
59.82098	1.4
65.43806	1.3
91.05499	1.7
125.06155	1.4
151.07477	10.4
163.06288	1.8
164.07048	7.0
178.08629	70.6
178.98183	1.4
205.06430	6.3
233.05969	13.6
237.09067	15.6
250.06216	1.8
265.08585	88.6
282.08820	3.1
283.09793	1.6
283.43170	1.5
297.11197	49.5
313.09418	2.1
313.12747	2.1
328.11746	13.0
328.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	(-)-Isocoreximine
Peak:m/z	Relative Intensity
58.06608	81.8
74.06088	1.4
75.59675	0.2
90.21014	0.3
94.78238	0.2
95.90362	0.2
107.04977	1.8
121.02872	20.5
121.06539	3.2
131.04909	0.6
133.06461	0.4
137.06023	0.4
156.78870	0.3
161.06003	1.2
163.07552	1.4
164.07034	0.4
178.08672	2.0
189.05475	0.4
190.12254	0.4
191.07080	1.3
192.10184	2.5
193.11012	0.3
195.08109	0.7
197.09546	1.0
206.11760	0.6
207.08064	0.4
208.13362	0.6
223.07495	1.3
233.05969	1.1
235.07549	1.3
237.09102	3.7
240.10321	0.3
251.07126	1.3
255.10175	3.8
265.08624	5.0
268.07315	0.6
269.10541	0.3
283.09610	7.1
285.11160	2.0
297.11188	3.0
298.10498	2.6
310.14215	0.4
312.12210	0.3
313.13120	2.2
328.15436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	(-)-Bisnorargemonine
Peak:m/z	Relative Intensity
51.31496	0.7
57.45276	0.6
58.06318	1.1
58.06607	31.9
61.17486	0.9
61.40697	0.7
69.03420	1.4
70.06586	4.4
71.04973	0.7
81.03416	3.4
85.02888	0.9
86.06070	17.4
86.09715	3.1
96.08121	0.8
97.02892	6.6
98.06057	36.9
99.04440	1.7
107.86410	0.7
109.02883	1.9
116.07074	1.7
119.59641	0.8
121.06455	0.9
124.07614	1.6
126.05503	4.1
127.03893	1.1
128.07236	0.8
138.09137	4.1
140.07117	1.0
142.08652	0.9
164.06949	1.0
166.08661	2.9
170.08182	0.9
178.08659	1.2
182.08150	4.6
194.08125	23.2
205.06519	1.8
212.09207	12.2
223.07503	11.9
230.10275	7.1
233.05989	6.0
237.09024	1.4
251.07005	80.3
255.10138	1.1
265.08578	38.2
268.07291	6.2
283.09641	69.5
284.09113	1.3
285.11380	1.1
292.11752	4.8
310.12817	1.6
328.08316	3.8
328.12085	4.3
328.15414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.154
Annotation	N-Methylflavinantine
Peak:m/z	Relative Intensity
54.68386	0.7
58.06609	50.1
107.04955	1.7
116.07052	1.4
139.08609	0.8
160.18588	0.8
178.08641	3.1
205.06532	1.5
207.55516	0.8
208.56508	0.8
223.07579	7.2
233.05980	2.9
237.09050	1.2
251.07008	45.5
253.08669	1.4
255.10046	1.4
265.08578	34.8
268.07245	3.5
283.09625	42.5
285.11160	1.6
310.10815	1.0
313.09433	1.3
328.11777	9.9
328.15396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1906
Annotation	Laurifonine
Peak:m/z	Relative Intensity
51.45248	0.6
55.82718	0.9
58.06607	90.3
61.19387	0.8
63.21671	0.8
64.93057	0.7
81.03424	2.0
85.02974	1.1
91.05482	0.9
95.04936	1.0
97.48142	0.9
107.04955	34.3
109.02863	6.4
119.26899	0.9
121.06501	5.1
124.07563	3.9
136.33063	1.0
142.08601	1.4
145.06500	5.3
151.07526	11.2
163.07538	2.0
165.09055	3.8
166.08716	0.9
174.06670	1.6
177.09209	1.3
178.08632	17.9
184.09720	3.5
189.09108	11.1
202.10745	8.2
206.11687	1.2
207.12502	0.9
240.10109	1.9
252.11453	4.8
265.08585	1.6
268.09485	11.0
269.10529	1.5
283.13208	14.6
284.09473	3.0
284.12817	8.9
285.11255	0.9
285.14853	3.4
298.10587	7.0
312.08694	2.0
312.12231	3.1
313.09723	1.8
313.13016	8.9
328.07886	1.9
328.11752	36.0
328.15350	46.7
328.19083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1904
Annotation	Laurifonine
Peak:m/z	Relative Intensity
50.77499	0.4
51.77348	0.4
53.54150	0.5
53.68058	0.5
54.33076	0.4
58.06609	93.7
61.07987	0.6
66.22009	0.4
69.48904	0.4
70.06289	0.6
70.06599	10.0
72.08150	0.9
84.30769	0.5
97.77976	0.4
98.31557	0.5
102.98351	0.4
107.04959	38.7
121.06497	4.5
130.38193	0.5
145.06485	7.3
147.08055	0.7
151.07539	5.1
158.07228	1.2
163.07515	2.7
165.09114	2.2
169.13306	2.1
174.06744	2.8
176.08333	0.8
177.09079	1.0
178.08643	0.9
189.09134	9.0
190.12256	0.5
197.12802	2.6
206.11768	2.2
208.13266	0.5
248.53326	0.5
252.11357	5.7
258.85855	0.5
265.08521	3.3
268.10953	3.2
282.07513	0.5
283.09653	3.0
283.13232	15.1
285.11743	0.7
285.14835	4.8
312.12228	0.9
313.13019	1.2
328.08203	1.8
328.15366	18.6
328.19003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1904
Annotation	Leonticine
Peak:m/z	Relative Intensity
55.62668	0.7
58.06608	89.5
65.96995	0.7
70.06601	4.5
73.70734	1.2
87.01834	0.8
100.49529	0.9
107.04951	38.8
121.06500	4.0
145.06471	4.8
151.07558	5.2
163.07599	1.3
165.09015	1.9
167.61063	1.0
169.13387	1.2
174.06781	1.7
177.09108	1.2
189.09059	8.5
190.08682	1.6
206.11737	1.4
224.07021	2.1
225.07849	1.8
226.08810	0.9
237.09032	1.2
249.11507	0.9
251.07127	1.2
252.11455	5.3
253.12112	1.1
254.08185	3.9
256.09689	1.1
265.08643	6.7
268.10730	1.4
269.06821	12.0
283.09683	4.3
283.13312	14.8
284.09177	69.8
284.12576	4.8
285.11234	1.2
285.14951	1.2
296.05667	1.8
310.13007	1.2
312.12338	11.0
313.13077	18.1
313.16504	1.3
328.04166	2.2
328.08200	82.6
328.15414	100.0
328.19141	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45248	0.6
55.82718	0.9
58.06607	90.3
61.19387	0.8
63.21671	0.8
64.93057	0.7
81.03424	2.0
85.02974	1.1
91.05482	0.9
95.04936	1.0
97.48142	0.9
107.04955	34.3
109.02863	6.4
119.26899	0.9
121.06501	5.1
124.07563	3.9
136.33063	1.0
142.08601	1.4
145.06500	5.3
151.07526	11.2
163.07538	2.0
165.09055	3.8
166.08716	0.9
174.06670	1.6
177.09209	1.3
178.08632	17.9
184.09720	3.5
189.09108	11.1
202.10745	8.2
206.11687	1.2
207.12502	0.9
240.10109	1.9
252.11453	4.8
265.08585	1.6
268.09485	11.0
269.10529	1.5
283.13208	14.6
284.09473	3.0
284.12817	8.9
285.11255	0.9
285.14853	3.4
298.10587	7.0
312.08694	2.0
312.12231	3.1
313.09723	1.8
313.13016	8.9
328.07886	1.9
328.11752	36.0
328.15350	46.7
328.19083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33866	0.8
58.06605	97.0
60.49664	0.8
84.34510	0.8
104.13173	1.0
107.04955	40.1
107.05678	1.5
121.06493	4.4
130.45969	0.8
145.06474	4.9
151.07521	4.0
163.07507	1.4
163.61986	1.0
165.09155	1.9
174.06767	1.6
177.09091	1.6
189.09094	11.1
195.04153	0.9
195.81638	0.9
206.11829	3.9
223.07491	1.0
251.06969	3.6
252.11421	4.8
265.08554	15.3
268.10873	1.9
283.09613	6.9
283.13266	13.3
284.12912	3.5
285.14880	4.5
300.69028	0.9
307.40192	0.9
312.12207	8.0
313.12997	15.3
328.11731	4.3
328.15353	77.2
328.19083	100.0
340.66025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.19
Annotation	Laurifonine
Peak:m/z	Relative Intensity
58.06605	100.0
69.48311	0.6
70.06569	0.9
74.41439	0.6
85.91725	0.6
90.44987	0.6
91.81342	0.6
107.04954	38.8
107.05682	1.5
121.06511	4.0
145.06512	5.3
147.08043	0.7
151.07520	5.6
158.07315	1.2
163.07570	3.3
165.09024	1.5
174.06720	2.8
177.09105	1.5
178.08615	2.9
189.09076	9.8
206.11720	1.5
207.12479	1.0
208.13213	0.7
208.48303	0.7
233.58524	0.6
251.07050	1.4
252.11389	5.6
265.08493	5.8
266.06573	0.7
268.10803	4.0
269.06815	0.9
283.09644	4.3
283.13278	13.5
284.09149	10.5
284.12836	2.8
285.14838	3.7
312.12366	3.5
313.12985	9.4
328.08124	8.6
328.12119	3.3
328.15356	55.1
328.19061	99.2
332.91043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.19
Annotation	Laurifonine
Peak:m/z	Relative Intensity
50.33866	0.8
58.06605	97.0
60.49664	0.8
84.34510	0.8
104.13173	1.0
107.04955	40.1
107.05678	1.5
121.06493	4.4
130.45969	0.8
145.06474	4.9
151.07521	4.0
163.07507	1.4
163.61986	1.0
165.09155	1.9
174.06767	1.6
177.09091	1.6
189.09094	11.1
195.04153	0.9
195.81638	0.9
206.11829	3.9
223.07491	1.0
251.06969	3.6
252.11421	4.8
265.08554	15.3
268.10873	1.9
283.09613	6.9
283.13266	13.3
284.12912	3.5
285.14880	4.5
300.69028	0.9
307.40192	0.9
312.12207	8.0
313.12997	15.3
328.11731	4.3
328.15353	77.2
328.19083	100.0
340.66025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1897
Annotation	Leonticine
Peak:m/z	Relative Intensity
52.11160	0.7
58.06606	100.0
60.88999	0.8
65.27259	0.7
70.06590	7.1
86.09715	1.4
107.04950	33.0
107.44273	0.8
116.51347	0.9
121.06507	4.2
131.05078	0.8
137.05995	3.5
145.06517	6.3
151.07545	3.5
163.07512	1.5
165.09120	1.6
174.06850	0.8
176.08260	1.0
177.09142	1.2
183.15005	1.6
183.65913	0.8
189.09073	9.5
192.10182	5.0
206.11821	1.5
207.12628	0.9
209.09636	1.0
211.14575	1.2
216.76140	0.9
223.07458	1.1
237.09048	1.5
251.07025	5.5
252.11455	3.3
265.08578	21.0
268.07367	1.8
268.10965	1.8
282.08646	1.7
283.09641	12.2
283.13263	14.0
284.12881	2.0
285.11438	1.0
285.14697	2.9
295.11792	1.1
297.11279	1.2
312.12204	8.3
313.13016	12.5
328.15363	98.9
328.19086	83.9
328.23120	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1893
Annotation	Laurifonine
Peak:m/z	Relative Intensity
50.20801	0.6
50.96693	0.6
58.06606	79.1
62.94538	0.6
99.33295	0.7
107.04958	26.2
108.43169	0.8
114.94834	0.8
121.06484	3.1
126.03645	0.7
145.06508	4.2
151.07568	3.4
151.39684	0.7
163.07425	1.3
174.06757	1.9
185.18898	0.9
189.09105	8.9
206.11693	1.1
209.09698	1.0
219.07971	0.9
223.07460	1.2
237.09061	3.5
251.07065	3.1
252.11401	1.8
265.08557	25.6
268.07239	1.5
268.10712	1.8
282.08856	4.9
283.09619	8.6
283.12946	9.7
284.12790	3.4
285.11203	1.2
285.14810	1.0
297.11194	8.5
312.12256	8.5
313.13007	13.2
328.15366	100.0
328.19083	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1904
Annotation	Laurifonine
Peak:m/z	Relative Intensity
50.58979	0.5
53.52819	0.5
55.82225	0.4
58.06608	91.7
60.75000	0.5
62.08191	0.6
98.93147	0.5
107.04962	36.3
121.06494	5.7
145.06479	6.7
147.08052	1.1
151.07544	5.8
158.07257	0.7
163.07509	2.4
165.09119	2.9
174.06754	2.3
176.08231	1.0
177.09068	2.7
189.09113	12.9
206.11700	2.4
207.12648	0.6
252.11440	5.5
253.12114	0.6
268.10910	3.4
270.12598	0.7
283.10034	0.7
283.13278	15.1
285.14813	3.2
312.12390	0.8
313.12988	1.2
328.15430	11.7
328.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1905
Annotation	Laurifonine
Peak:m/z	Relative Intensity
50.78064	0.4
53.87990	0.4
58.06606	84.8
81.34901	0.4
84.23042	0.4
85.60580	0.5
91.05537	0.4
91.64855	0.4
105.11500	0.4
107.04955	36.3
121.06508	4.8
145.06512	6.0
147.08061	2.3
151.07495	4.6
163.07520	3.0
165.09068	1.7
171.48415	0.4
174.06767	2.2
175.84612	0.5
176.08405	0.7
177.09079	2.2
179.88315	0.5
189.09079	12.4
189.10640	0.7
190.12401	0.6
200.81075	0.5
206.11749	1.8
223.51588	0.5
252.11526	4.5
256.10849	0.8
265.08588	1.1
268.11099	3.2
269.95465	0.5
277.20276	0.6
283.10049	1.0
283.13275	14.9
284.12750	1.1
285.14798	2.9
312.12283	3.2
313.13129	6.7
313.16559	0.9
313.27072	0.5
318.41473	0.5
327.11362	0.5
328.15387	31.4
328.19073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52308	2.5
55.01898	3.3
55.05511	23.9
56.96559	8.1
57.03442	14.1
58.06594	6.0
62.55829	3.1
63.48098	2.8
67.05508	72.6
69.03423	2.8
69.07065	38.2
71.04985	3.4
79.05499	73.3
79.05934	6.2
81.03431	4.6
81.07065	79.3
83.04996	14.6
83.08615	22.4
85.06550	7.2
91.05479	62.2
93.07037	100.0
95.04955	8.4
95.08604	62.4
97.06517	43.2
97.10156	14.3
99.08060	4.6
105.07029	79.1
107.08592	56.8
109.06524	13.4
109.10150	37.6
117.07011	22.0
119.08579	61.5
121.10149	41.2
123.08077	6.8
125.09648	4.4
129.06966	6.4
131.08569	31.3
133.10104	45.2
135.11716	16.5
137.09586	7.2
143.08572	14.4
145.10127	24.4
147.11678	23.2
149.09595	6.8
155.10712	3.7
157.10097	5.1
159.11673	23.5
161.09677	4.1
161.13237	16.1
163.11205	4.7
171.11670	4.2
173.11725	7.4
181.12299	4.2
185.13284	21.5
189.11150	4.3
190.20613	4.4
203.14409	6.5
219.17516	5.2
221.15392	14.7
235.16937	8.1
257.18964	18.0
275.20038	87.5
287.13089	7.4
293.20984	14.8
294.97760	3.8
305.14246	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.2
57.03444	12.0
57.07076	7.6
58.06591	7.0
67.05515	91.8
68.97289	5.9
69.07068	31.7
79.05511	61.0
81.03400	5.9
81.07079	78.5
83.05004	7.5
83.08634	26.1
85.06570	7.4
91.05475	29.4
93.07059	58.2
95.04960	9.7
95.08624	61.1
97.10178	13.4
105.07035	43.9
107.08600	40.9
109.06540	10.6
109.10165	100.0
117.07034	12.1
119.08587	38.3
121.10145	35.6
133.10114	30.3
137.09576	9.6
145.10147	12.5
147.11656	11.7
149.09634	9.7
149.13225	9.0
155.10690	31.4
159.11647	9.2
171.11679	7.1
173.11742	82.4
209.15472	6.8
227.85269	6.9
233.09659	34.1
275.20087	43.3
278.17661	6.2
283.51508	6.6
293.21152	8.7
305.14108	14.3
307.08136	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.5
57.03421	1.5
57.07080	6.3
58.03865	1.4
58.06590	1.5
62.78609	1.1
67.05512	27.5
69.07069	28.1
71.04985	11.0
71.08634	27.4
73.34806	1.2
76.68692	1.4
79.05486	5.9
81.07058	52.7
83.04984	1.9
83.08632	17.6
85.06545	2.2
91.05479	8.6
93.07040	8.6
95.00401	1.2
95.08611	45.1
97.06521	5.6
97.10174	9.1
99.08097	23.9
99.44952	1.3
100.07629	2.1
101.09663	6.6
105.07016	6.3
107.08599	10.4
109.06532	2.2
109.10180	19.2
109.37099	1.3
111.08090	11.2
114.09202	1.8
119.08578	12.9
121.10158	10.5
123.08070	1.8
123.11697	10.4
127.11169	2.2
133.10138	2.0
135.11684	6.5
137.13246	3.0
141.09059	1.8
145.10127	3.1
147.11690	29.2
149.13263	7.4
154.12268	1.8
155.12610	2.7
156.10202	1.6
161.13261	1.9
163.14786	2.9
164.14346	1.8
165.12779	6.3
166.15872	2.5
169.64044	1.3
181.15865	5.9
182.15396	11.8
197.15385	7.3
198.18546	5.6
212.16408	2.6
214.18002	79.5
229.18005	2.4
243.21120	2.2
251.23764	1.7
261.22122	1.9
275.19742	1.6
279.23148	47.4
296.25830	100.0
310.31201	1.5
328.12036	3.1
328.28607	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28939	3.8
55.05512	36.0
57.03454	7.9
57.07073	33.0
58.06593	4.8
60.04531	26.1
67.05505	73.2
69.03431	8.7
69.07070	55.8
71.04974	8.8
71.08627	28.6
79.05509	53.0
80.05031	6.9
81.03429	5.4
81.07059	100.0
82.06572	38.8
83.04966	9.6
83.08599	22.4
85.10165	7.0
91.05481	39.6
93.07044	64.8
94.06584	6.7
95.08600	65.9
97.10153	10.7
105.07052	38.6
107.08601	64.4
109.06512	8.0
109.10168	54.9
110.06062	8.6
111.82092	5.1
117.07025	7.2
119.08559	38.5
121.06486	6.3
121.10139	37.1
123.08102	10.5
123.11693	21.4
131.08557	28.3
133.10112	25.3
135.11705	23.4
136.20790	5.1
145.10146	21.8
147.11749	9.3
149.09612	8.3
149.13348	8.4
159.11691	10.7
185.57434	6.0
195.13776	7.1
233.22482	6.4
234.93893	5.5
257.22501	7.7
266.44241	6.1
275.19974	33.4
275.23679	29.7
283.09692	7.3
292.26239	47.7
293.21115	7.0
293.24677	23.7
310.27374	59.6
311.17474	6.8
320.09073	30.6
328.10849	26.8
328.15494	22.6
328.23721	6.3
328.28543	26.2
328.60480	5.9
336.12418	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
57.07088	39.5
63.85445	2.4
64.39550	2.4
67.05505	28.0
69.07072	54.1
71.04986	19.4
71.08635	38.3
74.99749	2.5
79.05512	5.6
80.00346	3.3
81.07067	35.6
81.26791	2.7
83.08613	14.4
92.20953	3.6
92.73279	2.8
93.07043	7.2
95.08604	75.3
97.06516	4.5
97.10172	17.3
97.38908	3.0
104.42755	3.4
105.07034	5.0
105.87908	3.1
107.08572	4.7
109.10158	11.8
111.11720	6.7
121.10131	14.0
123.08061	38.3
123.11661	5.3
125.09589	5.1
135.08037	4.8
135.11661	12.1
137.13338	3.2
139.11206	11.0
140.10695	17.1
141.12729	26.5
142.12270	4.9
143.83939	3.2
153.12761	6.5
155.10686	3.5
156.13808	6.3
165.89133	3.1
166.28146	2.9
170.11777	12.2
172.13321	57.3
182.55853	2.9
183.13823	14.1
221.13857	3.1
225.46294	3.1
261.22113	4.6
278.24994	3.1
279.23187	51.7
289.96857	3.1
296.25836	100.0
297.26355	5.2
328.11990	3.1
328.15601	4.9
328.25223	5.7
328.29025	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.2
55.05528	5.4
56.81235	1.5
57.07082	82.0
67.05510	30.6
69.07076	15.0
71.04998	28.9
79.05505	2.9
81.07062	23.2
83.04955	2.0
83.08627	4.8
91.05472	4.2
92.21458	3.2
93.07055	14.7
93.42874	2.1
95.05002	2.0
95.08608	36.1
97.06561	3.0
97.10163	8.3
107.08597	7.4
109.06564	2.7
109.10165	43.4
109.93986	1.7
111.11724	2.8
119.08558	21.8
121.10216	3.9
123.11701	2.3
127.11195	36.3
135.11703	18.7
137.09625	43.8
137.11511	1.9
137.13219	3.0
139.11186	2.6
149.13301	2.3
153.12784	8.9
154.12283	27.5
169.12224	14.8
169.93387	1.7
170.15388	12.1
172.13486	2.1
172.15234	2.5
184.13287	2.1
186.14900	100.0
193.23108	2.0
230.52818	2.1
261.21991	4.4
279.23163	46.0
296.25839	85.4
303.50897	2.0
328.28326	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	11.8
71.08630	8.7
76.26082	4.6
85.10165	5.0
87.57481	4.4
90.05560	100.0
92.33011	4.5
95.08574	9.6
109.10120	5.4
136.47469	4.6
138.10588	4.5
143.10782	5.2
145.13519	4.8
175.15909	4.7
230.24783	7.7
328.11859	8.1
328.15582	8.5
328.35718	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16978	0.8
61.21991	0.9
77.74292	1.0
148.71188	1.0
167.40175	0.9
176.72076	1.0
275.07568	1.5
276.13867	1.0
277.57535	1.1
282.08463	4.7
283.07504	1.5
284.08063	4.1
290.08047	1.8
290.58569	5.3
291.08987	14.6
292.07611	10.1
296.07861	1.7
296.58661	1.3
297.09070	1.4
298.07901	4.9
298.60074	4.6
299.08618	7.3
299.59128	1.8
300.09436	35.2
300.12698	1.5
300.59589	3.6
304.58072	3.6
305.08759	13.6
305.59012	2.3
306.07742	5.9
306.59927	5.0
307.06702	1.8
307.10226	54.9
307.60419	1.8
312.09641	3.2
313.10464	17.7
314.09189	11.1
314.59653	1.7
320.09299	1.7
321.09946	70.2
321.60370	11.3
329.11566	100.0
329.61801	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.11569	0.6
57.63874	0.6
57.64206	0.6
58.06601	4.1
63.06391	0.6
69.03424	0.7
75.41496	0.6
91.05491	8.6
119.04945	29.0
121.77065	0.8
145.02823	0.8
147.04410	36.4
151.07623	0.8
157.03955	3.5
175.03903	83.7
178.08640	4.6
179.07034	2.7
179.08939	5.6
207.06522	100.0
208.05969	0.9
209.09163	0.9
266.08731	1.0
299.10965	1.6
314.13370	1.5
329.11975	2.4
329.15735	22.1
329.19333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00764	0.6
67.05479	0.7
79.05485	0.8
81.18945	0.7
96.08122	1.6
113.89668	0.8
114.41305	0.8
117.45601	0.8
119.07702	0.8
124.07586	62.7
125.08332	1.4
144.04453	3.1
146.05978	7.2
162.05530	3.2
172.03915	47.3
172.05423	1.6
174.05518	5.0
177.62938	0.9
178.08783	0.8
204.06552	100.0
206.08096	16.1
255.90318	0.9
284.08081	1.1
300.09479	2.9
307.10172	1.6
311.14001	1.1
313.10159	1.1
315.13370	4.5
321.09866	5.2
329.11002	6.6
329.14859	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14857	0.8
55.05500	1.4
57.07074	8.9
61.02925	7.2
67.05507	1.7
68.99786	7.2
69.07064	4.7
70.46404	0.9
71.08607	0.9
81.07060	5.1
83.00154	0.9
83.08617	4.3
93.07026	1.1
95.08615	2.2
97.10155	1.6
107.08594	1.3
111.00761	6.1
121.01196	0.8
121.10148	4.2
129.01836	100.0
135.11691	1.9
137.13243	1.5
139.00259	30.0
149.08818	0.9
149.13177	1.0
157.01320	32.2
183.92229	1.3
185.08081	16.6
213.07535	1.5
217.03470	7.4
219.21059	1.9
237.22034	1.9
241.13451	1.1
259.15396	1.1
282.27679	1.0
311.31317	1.3
329.11661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61286	1.8
55.05527	2.3
57.03450	3.6
67.05504	5.6
71.05025	2.2
71.32915	2.3
79.05501	5.0
81.07079	4.3
83.08624	3.8
91.05477	3.8
93.07039	11.9
95.04951	3.2
95.08627	9.4
97.10106	2.4
98.98495	2.2
105.07005	3.0
107.08602	9.7
109.10150	3.1
116.50632	2.5
117.07012	2.9
119.08579	3.9
121.10125	2.5
125.09656	3.6
131.08592	3.7
133.10101	9.0
138.17545	2.5
145.10123	3.0
157.10072	2.7
159.11745	2.9
173.13359	2.6
222.60921	2.4
273.18521	2.7
311.22034	2.9
321.09598	4.3
329.11533	5.6
329.17242	100.0
329.20923	5.8
329.25137	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65616	1.0
55.05512	5.1
55.37715	0.9
57.03440	2.1
62.41688	1.0
64.40242	1.1
67.05508	4.9
69.07063	4.6
81.07068	6.6
83.08624	2.6
85.06548	1.8
91.05470	1.7
93.07042	5.6
94.41750	1.1
95.08614	4.2
97.10217	1.5
105.07041	5.3
106.18102	1.1
107.08592	8.1
109.10123	2.3
111.08072	1.3
117.05487	2.7
119.08595	5.7
121.10125	1.8
123.08070	6.9
131.08577	1.9
133.10146	5.3
135.11711	1.7
145.10129	10.1
147.11725	2.4
149.13229	1.2
150.96191	1.3
157.10158	2.1
159.11723	5.9
169.10080	1.1
171.11720	1.8
173.13286	2.1
185.13399	1.5
197.13408	1.3
199.14810	1.6
201.12793	1.2
213.16412	2.4
237.16249	1.5
253.19481	1.5
255.17447	1.8
265.11526	1.2
269.15720	1.2
279.21097	2.2
297.22113	23.6
311.23404	1.5
313.88281	1.3
314.01306	1.2
329.17273	100.0
329.20776	6.5
329.24350	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52242	0.7
52.01219	0.7
55.05517	1.1
65.27843	0.7
67.05500	3.0
67.18147	0.8
68.02251	0.7
69.07056	1.5
79.05482	1.1
81.07051	3.9
85.10251	0.7
93.07043	3.7
93.29827	0.7
94.07368	0.9
95.08604	3.7
96.08932	0.9
97.28780	0.7
98.98466	61.5
99.08115	1.2
102.39748	0.7
105.80940	0.7
107.08601	1.5
109.21319	0.7
110.17720	0.8
114.54434	0.7
116.99516	0.9
119.08547	1.7
121.10126	1.3
125.09608	1.4
133.10147	1.1
135.11650	1.1
171.11494	0.8
174.99147	7.1
176.98969	1.2
177.67451	0.8
252.99590	1.7
275.19943	1.2
275.68359	0.9
276.20410	1.6
277.93515	0.9
293.21100	1.5
300.09451	1.1
311.22192	1.8
321.09741	1.5
329.11237	3.9
329.17230	100.0
329.23169	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52242	0.7
52.01219	0.7
55.05517	1.1
65.27843	0.7
67.05500	3.0
67.18147	0.8
68.02251	0.7
69.07056	1.5
79.05482	1.1
81.07051	3.9
85.10251	0.7
93.07043	3.7
93.29827	0.7
94.07368	0.9
95.08604	3.7
96.08932	0.9
97.28780	0.7
98.98466	61.5
99.08115	1.2
102.39748	0.7
105.80940	0.7
107.08601	1.5
109.21319	0.7
110.17720	0.8
114.54434	0.7
116.99516	0.9
119.08547	1.7
121.10126	1.3
125.09608	1.4
133.10147	1.1
135.11650	1.1
171.11494	0.8
174.99147	7.1
176.98969	1.2
177.67451	0.8
252.99590	1.7
275.19943	1.2
275.68359	0.9
276.20410	1.6
277.93515	0.9
293.21100	1.5
300.09451	1.1
311.22192	1.8
321.09741	1.5
329.11237	3.9
329.17230	100.0
329.23169	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
67.05506	2.4
77.57259	1.6
79.05502	2.9
86.06056	3.0
90.22262	2.1
93.07051	2.5
95.08612	4.5
103.64082	1.6
106.22456	1.7
107.08591	3.2
109.10168	2.2
131.08588	4.3
133.10091	2.2
135.11681	1.9
143.08487	2.2
145.10167	7.8
159.11722	7.7
162.51370	1.9
169.19838	1.9
185.13208	2.2
197.39496	2.1
249.67743	1.9
262.72452	1.9
297.22083	9.7
329.20895	100.0
329.24719	13.8
350.17331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2108
Annotation	Longithorol C
Peak:m/z	Relative Intensity
67.05502	12.9
74.29355	2.1
77.63937	2.1
79.05491	6.3
81.07062	23.6
83.08642	3.5
86.86102	2.2
91.05463	5.9
93.07041	20.8
94.39067	2.5
95.08611	27.0
97.86510	2.5
105.07030	17.0
107.08585	17.5
109.06527	4.2
109.10128	5.7
119.08578	11.1
120.79694	2.8
121.10131	6.0
123.08060	13.2
131.08542	16.6
133.10103	6.1
135.08054	5.5
135.11722	3.5
143.08569	21.4
145.10149	21.1
147.11681	6.4
149.09660	3.8
155.08553	6.5
157.10172	19.4
159.11676	13.1
161.09512	3.8
163.11125	3.5
169.10133	11.2
171.11685	11.7
173.09608	10.8
175.11137	10.2
181.10104	5.8
183.11656	5.9
187.11162	5.4
189.12729	14.0
195.11670	12.2
197.13304	5.1
199.11342	2.9
209.13335	4.2
225.12672	2.7
239.14314	12.2
250.17131	3.2
251.17856	20.7
257.15140	3.3
267.17438	4.7
269.18951	15.6
279.17209	2.6
293.18811	22.2
311.19983	48.4
329.17197	5.9
329.21042	100.0
329.24881	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.232
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01871	3.4
55.05522	26.4
56.43036	1.8
57.03442	2.8
64.63661	2.2
67.05500	22.6
69.03371	2.0
69.07069	13.3
71.04988	4.4
71.08624	9.7
79.05484	13.3
81.03395	4.7
81.07056	24.7
83.04978	11.1
83.08613	30.6
85.06535	4.8
91.05502	3.7
93.07037	18.9
95.04964	16.4
95.08597	15.4
97.06512	3.5
97.10156	31.0
99.08079	14.1
102.87139	2.3
105.07041	10.9
107.08620	22.2
109.06522	3.8
109.10154	10.4
111.04394	3.1
111.08108	8.6
117.07020	3.2
119.08587	10.9
121.10128	11.5
123.08055	3.1
125.09625	30.7
127.07625	2.4
131.08563	11.5
133.10127	10.6
135.08057	4.5
135.11713	5.7
145.10094	9.3
147.07996	2.8
147.11708	9.3
149.09618	9.1
149.13257	2.9
151.11226	3.1
153.09085	4.7
153.12735	2.6
157.10123	3.5
159.11687	10.3
163.11163	18.1
165.12708	2.5
171.11626	2.6
173.11853	2.4
173.13242	3.6
175.11168	4.0
177.12724	3.3
189.11203	9.3
195.13809	9.2
223.13274	2.4
249.22346	2.7
275.20071	16.6
279.21185	2.3
284.07446	2.9
291.58640	3.9
293.21091	100.0
297.22083	3.9
311.22229	58.6
329.11230	22.3
329.17343	24.4
329.20917	7.7
329.24838	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
56.24950	1.2
57.67640	1.3
58.08903	1.0
67.05505	7.7
69.07042	2.7
71.04979	6.8
79.05484	6.6
81.07065	12.8
83.08636	2.3
85.06557	12.5
89.65024	1.2
90.79054	1.3
91.05479	8.9
93.07043	18.8
95.04961	1.7
95.08603	17.2
105.07030	16.6
107.04978	1.3
107.08602	22.0
109.06509	2.2
109.10158	11.2
111.08080	7.5
113.09685	1.3
117.06973	5.3
119.08564	15.9
121.10151	13.7
123.08065	29.8
129.06998	2.0
131.08580	13.8
133.10109	17.9
135.08087	1.9
135.11717	6.3
137.09621	14.3
139.11275	1.7
141.06937	1.3
143.08542	10.2
145.10123	37.2
147.11678	12.2
155.08539	3.3
157.10121	19.9
159.11699	26.6
161.13266	2.8
162.94888	1.4
169.10126	7.1
171.11638	17.2
173.13249	9.4
175.11174	2.7
175.14813	2.1
177.12808	1.6
181.10069	2.6
183.11702	9.1
185.13278	11.2
195.11676	9.4
197.13251	18.0
199.14760	10.5
201.12746	1.7
203.14290	7.7
209.13203	10.3
211.14758	9.9
213.16318	14.6
215.14314	1.8
217.15907	2.0
223.14758	16.3
225.16354	7.2
227.17950	10.8
237.16388	10.1
239.17915	8.7
250.17125	6.0
251.17912	1.7
253.19502	18.7
255.17424	9.5
264.18738	2.7
279.21048	47.6
293.20981	2.2
297.22134	100.0
311.20291	3.1
311.23642	20.2
329.11475	5.6
329.17197	8.4
329.24521	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2471
Annotation	5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
Peak:m/z	Relative Intensity
55.05511	3.9
67.05512	12.8
69.07063	3.3
72.23335	2.1
79.05489	5.4
81.07066	19.0
81.77666	2.1
82.13951	2.3
83.08609	2.7
85.06550	10.5
91.05459	3.4
93.07037	16.2
95.08606	14.7
97.06548	3.8
99.95004	2.0
105.07024	21.4
107.08588	28.3
108.10358	1.9
109.06509	4.1
109.10156	14.8
111.08089	5.0
117.06963	3.8
117.49088	2.2
119.08585	18.9
121.10153	16.9
123.08073	9.1
123.11674	3.7
124.04337	2.0
129.06967	3.0
131.08595	13.9
133.10139	15.8
135.08084	7.6
135.11690	8.8
137.09595	3.5
143.08557	9.1
145.10123	35.7
147.08076	3.0
147.11687	14.5
149.13217	2.8
155.08553	2.7
157.10141	13.6
158.28137	2.6
159.11676	29.9
161.09584	3.1
161.13235	21.8
165.12759	3.1
169.10057	3.9
171.11711	10.1
173.13220	11.4
175.14799	9.3
183.11668	4.7
185.13303	13.1
187.11101	3.2
187.14825	5.0
189.12723	8.5
195.11754	3.5
197.13266	14.1
199.14828	10.5
201.12717	3.8
203.14368	10.6
209.13258	5.0
211.14955	2.8
213.16371	12.1
223.14792	7.3
229.28203	2.4
237.16501	8.7
239.17963	8.3
241.15924	3.2
253.19479	5.0
255.17445	4.3
279.12656	2.6
279.21045	32.0
297.22144	93.9
309.34821	2.6
311.23834	3.1
329.21237	5.5
329.24701	100.0
352.72415	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
56.10213	1.1
67.05510	6.5
69.07059	1.9
71.04988	3.2
74.58485	1.2
79.05494	2.3
79.89868	1.0
81.07059	14.0
83.08611	1.8
85.06522	9.3
86.68839	1.2
91.05464	7.2
93.07037	13.9
95.04968	1.5
95.08597	10.7
97.06537	2.7
99.08113	1.8
105.07037	13.3
107.08606	19.0
109.10143	11.1
111.08077	8.7
117.06986	1.7
119.08566	10.6
120.98056	1.4
121.10133	10.8
123.08073	25.9
123.11713	3.1
125.09628	1.6
129.07011	1.7
131.08609	10.3
133.10121	11.7
135.08055	1.9
135.11687	3.0
137.09599	11.3
143.08534	5.7
145.10124	20.5
146.38078	1.3
147.11684	11.4
149.09575	2.0
153.78825	1.4
155.08531	5.0
157.10126	12.2
159.11671	16.1
161.13264	6.0
163.11276	1.4
169.10146	2.9
171.11673	14.9
173.13264	6.1
177.12752	1.4
181.10194	1.6
183.11667	7.7
185.13225	7.9
187.14856	1.7
189.12737	2.9
191.14427	2.1
195.11691	6.3
197.11626	1.3
197.13185	10.1
199.14841	7.2
202.04930	1.6
203.14291	3.2
209.13261	6.9
211.14810	7.4
213.16348	7.8
215.14314	1.9
223.14786	10.3
225.16338	2.6
227.17908	8.0
233.03584	1.5
237.16397	7.4
239.17928	5.5
250.17064	5.6
251.18100	1.8
253.19493	12.6
255.17439	2.9
264.18698	2.2
265.19366	1.3
269.22522	2.7
275.20084	2.1
279.21045	28.3
285.22205	1.9
297.22095	67.3
311.05444	9.9
311.23691	17.6
329.06476	10.3
329.10114	2.2
329.24716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2473
Annotation	5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
Peak:m/z	Relative Intensity
51.83369	2.0
52.11308	2.2
57.03440	5.7
59.69444	1.9
61.54500	2.0
67.05507	3.1
68.49666	2.1
69.07066	4.6
74.79900	2.1
79.11887	2.3
81.07056	4.4
85.06547	11.2
89.85043	2.4
91.05494	4.3
93.07018	17.8
95.08666	8.2
105.07030	9.4
107.08582	10.8
109.10133	6.0
111.08030	4.0
117.05511	4.1
117.07019	5.1
119.08581	11.5
121.10179	10.5
123.08046	24.7
131.08569	4.3
133.10159	6.0
137.09630	4.7
143.08557	4.1
145.10112	37.5
147.11688	11.3
155.08524	2.9
157.10089	13.9
159.11693	19.4
169.10081	3.4
171.11679	13.2
173.13280	12.1
176.21461	2.3
183.11682	5.2
185.13203	3.5
191.14270	3.9
195.11685	4.9
197.13258	18.0
201.12704	3.1
203.14412	3.2
211.14746	4.6
213.16405	11.6
215.14284	5.0
223.14821	4.6
227.17981	4.5
237.16531	4.0
239.17802	2.6
241.15723	3.3
253.19521	15.0
257.18988	4.5
279.21069	28.0
286.72037	2.6
297.18750	4.4
297.22128	100.0
312.74564	2.5
329.11246	2.9
329.17310	53.3
329.21432	4.0
329.24664	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2473
Annotation	5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
Peak:m/z	Relative Intensity
67.05515	2.6
69.07057	1.8
71.04989	3.3
78.74570	1.6
79.05482	2.1
79.22697	1.4
81.07064	10.6
82.55087	1.5
85.06541	12.7
91.05489	3.1
93.07047	16.7
95.08601	9.9
97.06558	2.0
105.07028	10.7
107.08605	19.0
109.10176	6.8
109.41153	1.5
111.08099	2.4
117.07027	3.2
119.08594	10.8
121.10149	9.6
123.08072	13.5
123.11710	2.4
131.08527	13.3
133.10173	10.7
136.80804	1.6
143.08580	3.3
145.10139	33.2
147.11696	9.1
150.85097	1.6
157.10146	11.0
159.11690	21.1
161.13307	2.1
171.11716	11.9
173.13268	9.7
183.11714	7.3
185.13298	7.4
189.12717	2.5
195.11763	3.4
197.13199	12.8
199.14822	7.5
203.14262	3.3
209.13252	3.4
211.14915	3.3
213.16402	12.9
215.14371	2.5
217.15993	2.4
223.14822	3.6
225.16405	2.5
227.17883	10.2
237.16470	3.6
239.17953	3.6
241.15942	2.8
253.17096	1.8
253.19423	14.0
255.17451	9.1
255.21080	2.4
279.21033	15.2
297.18777	3.2
297.22156	100.0
307.10294	3.1
311.18289	2.3
321.10025	3.9
329.11319	9.4
329.24756	67.8
341.82510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2473
Annotation	5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
Peak:m/z	Relative Intensity
67.05498	3.8
71.04984	3.8
79.05505	2.7
81.07058	11.0
84.47947	1.7
85.06541	13.0
91.05465	3.3
93.07024	14.5
95.08609	9.5
105.07036	9.4
107.08587	14.7
109.06549	2.0
109.10146	4.0
111.08107	3.6
113.96716	1.9
117.06996	3.9
119.08576	7.5
121.10152	9.3
123.08049	18.3
131.08569	7.5
133.10086	15.5
135.11670	3.4
137.09569	1.7
143.08559	2.8
145.10144	33.4
147.11707	7.8
157.10138	9.3
159.11647	18.6
161.13220	1.9
169.10149	2.3
171.11615	4.4
173.13266	12.3
183.11687	2.4
185.13243	9.0
187.11154	2.6
195.11696	2.6
197.13208	10.3
199.14841	4.2
203.14453	2.1
209.13235	2.8
211.14824	3.1
213.16304	14.2
215.14391	2.6
217.15898	3.3
223.14778	8.1
225.16321	3.0
227.14345	1.9
227.17847	10.4
237.16354	3.7
239.17839	2.6
253.19537	13.6
255.17354	11.5
255.21231	2.3
279.20993	16.9
284.08157	2.6
291.08676	2.3
297.22125	100.0
300.09506	12.5
307.10278	13.3
313.10416	2.2
321.10004	13.5
329.11728	23.0
329.17377	4.3
329.21072	3.3
329.24731	77.2
329.61444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2474
Annotation	5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
Peak:m/z	Relative Intensity
55.05504	2.0
56.10213	1.1
67.05510	6.5
69.07059	1.9
71.04988	3.2
74.58485	1.2
79.05494	2.3
79.89868	1.0
81.07059	14.0
83.08611	1.8
85.06522	9.3
86.68839	1.2
91.05464	7.2
93.07037	13.9
95.04968	1.5
95.08597	10.7
97.06537	2.7
99.08113	1.8
105.07037	13.3
107.08606	19.0
109.10143	11.1
111.08077	8.7
117.06986	1.7
119.08566	10.6
120.98056	1.4
121.10133	10.8
123.08073	25.9
123.11713	3.1
125.09628	1.6
129.07011	1.7
131.08609	10.3
133.10121	11.7
135.08055	1.9
135.11687	3.0
137.09599	11.3
143.08534	5.7
145.10124	20.5
146.38078	1.3
147.11684	11.4
149.09575	2.0
153.78825	1.4
155.08531	5.0
157.10126	12.2
159.11671	16.1
161.13264	6.0
163.11276	1.4
169.10146	2.9
171.11673	14.9
173.13264	6.1
177.12752	1.4
181.10194	1.6
183.11667	7.7
185.13225	7.9
187.14856	1.7
189.12737	2.9
191.14427	2.1
195.11691	6.3
197.11626	1.3
197.13185	10.1
199.14841	7.2
202.04930	1.6
203.14291	3.2
209.13261	6.9
211.14810	7.4
213.16348	7.8
215.14314	1.9
223.14786	10.3
225.16338	2.6
227.17908	8.0
233.03584	1.5
237.16397	7.4
239.17928	5.5
250.17064	5.6
251.18100	1.8
253.19493	12.6
255.17439	2.9
264.18698	2.2
265.19366	1.3
269.22522	2.7
275.20084	2.1
279.21045	28.3
285.22205	1.9
297.22095	67.3
311.05444	9.9
311.23691	17.6
329.06476	10.3
329.10114	2.2
329.24716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	35.9
57.07098	30.6
67.05502	52.6
69.07076	100.0
71.08634	17.7
79.05499	17.3
81.07082	69.5
83.08612	52.9
91.05514	9.3
93.07050	47.3
93.73415	10.9
95.08589	70.8
97.06514	10.3
97.10160	37.8
98.98476	10.2
100.90325	8.5
107.08630	31.4
109.10142	36.2
121.10144	84.6
123.11670	9.9
127.40962	9.4
135.11646	70.6
149.13271	15.2
154.00343	9.8
156.86996	9.6
219.21083	21.1
237.22211	67.3
255.23393	11.0
265.11066	44.4
280.26340	12.5
283.12234	16.0
307.10291	18.7
311.25809	49.2
312.37930	8.8
321.09814	45.1
329.11420	72.9
329.17487	15.2
338.13474	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76498	3.2
55.05523	36.4
57.03434	3.9
57.07078	26.5
58.21827	3.8
67.05516	48.9
69.07069	67.6
71.08642	10.6
76.45650	5.0
79.05501	35.1
81.07067	100.0
83.08626	54.8
85.10177	6.1
91.18623	4.0
93.07037	49.9
94.91195	4.2
95.08611	59.0
97.06519	22.7
97.10167	47.5
97.37767	3.9
107.08604	43.3
109.10151	37.2
111.08018	6.8
114.09009	4.3
117.81026	5.0
119.08561	5.7
119.50364	3.9
120.12661	3.9
121.10142	83.4
121.21174	5.0
123.11714	22.0
125.09621	5.1
131.08656	4.1
135.11681	67.3
137.13306	9.8
149.13269	25.5
163.14821	17.9
170.58377	4.7
181.92001	4.4
190.74588	4.7
219.21068	58.0
237.22128	84.4
311.25919	39.3
321.09973	8.3
329.11966	27.6
329.27829	17.7
329.61819	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2684
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.01192	2.7
55.05519	42.7
57.03444	14.1
57.07089	24.7
57.30870	3.4
67.05517	53.6
69.07081	67.0
71.08629	19.5
75.74507	3.5
79.05518	30.1
81.07067	70.9
83.08633	58.0
85.10189	6.2
93.07048	43.1
95.08612	49.6
97.06527	25.8
97.10181	37.0
107.08614	41.9
109.10157	24.0
111.08085	21.3
111.11693	6.7
121.10157	100.0
123.11688	21.4
134.14088	3.8
135.11693	75.8
137.13263	6.0
138.37611	3.5
149.13263	27.3
163.14861	6.6
164.09282	4.3
219.21092	74.5
237.22127	90.6
244.98938	3.6
255.23128	18.7
300.09387	4.8
307.10062	15.5
311.25717	47.0
321.09946	15.2
321.60159	5.8
329.11508	31.6
329.26907	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2684
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.62069	5.8
54.16223	4.9
55.05511	42.7
57.03446	9.2
57.07073	37.9
59.11169	5.2
60.10859	5.8
66.67517	5.8
67.05517	56.0
69.07066	100.0
71.08621	9.7
79.05493	29.1
81.07061	84.0
83.08633	77.4
93.07049	42.9
93.30616	5.6
95.08605	56.5
97.06541	10.8
97.10167	56.5
98.98461	7.8
107.08577	29.0
109.10170	30.2
111.11761	7.0
121.10145	85.6
123.11713	31.8
129.01868	14.7
135.11690	67.0
137.13245	16.5
139.00214	11.3
139.11162	10.7
149.13284	30.3
219.21074	71.1
226.43347	7.0
237.22130	96.1
253.64853	7.6
255.23050	13.7
311.25784	66.0
321.09970	7.5
329.12381	23.7
329.20987	9.3
329.26874	47.1
348.52222	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2836
Annotation	Beilcyclone A
Peak:m/z	Relative Intensity
55.05516	8.1
57.07088	3.7
60.24439	2.1
63.84773	1.9
67.05507	9.0
69.07063	17.4
71.04977	3.1
79.05479	4.2
81.07065	41.5
83.08617	5.4
84.67204	1.9
87.40383	1.9
91.05477	4.6
93.07039	27.3
95.08613	47.2
97.10171	11.2
98.98463	2.4
99.08057	15.4
105.07049	22.9
107.08610	30.6
109.10153	38.8
113.09650	11.6
119.08591	29.8
121.10148	35.8
123.11678	16.5
125.09569	3.0
131.08611	7.8
133.10112	31.3
135.11697	18.5
137.13243	9.6
143.08556	3.1
145.10112	13.9
147.11702	28.8
149.13248	14.2
157.10132	4.6
159.11703	13.3
161.13251	39.4
163.14810	11.7
173.13254	15.7
175.14807	11.9
177.16377	3.7
179.14322	3.5
187.14812	25.5
188.15640	2.4
189.16331	18.8
201.16396	10.8
203.17940	11.9
205.15779	3.0
213.16394	8.4
215.17987	8.7
227.17859	2.7
229.19402	3.3
241.19504	3.6
255.21065	3.8
271.24274	9.3
311.27286	26.6
329.21448	4.2
329.24850	9.1
329.28360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54297	1.3
54.35529	1.4
55.05513	6.6
57.05943	1.3
57.07076	3.5
57.45475	1.3
61.18629	1.2
65.08481	1.4
67.05514	10.9
67.05806	1.4
69.07071	28.7
71.03151	1.2
71.05001	3.3
79.05483	7.5
81.07060	100.0
82.07419	1.4
83.08621	8.4
85.06529	3.2
91.05486	3.2
92.21450	2.3
93.07053	19.7
95.08601	46.7
97.10165	3.2
99.08095	2.6
102.70187	1.4
105.07042	14.6
107.08604	24.7
109.10168	29.1
113.09661	5.3
119.08578	24.1
121.10134	24.9
123.08094	1.9
123.11743	10.7
131.08577	3.4
133.10144	21.3
135.11696	19.4
137.13260	9.7
143.08623	1.9
145.10132	11.7
147.11667	22.2
149.13251	11.9
157.10112	7.5
159.11662	19.4
161.13225	16.1
163.14815	7.7
171.11674	7.2
173.13252	12.7
175.14841	11.7
177.16414	3.3
185.13295	6.9
187.14833	14.0
189.16344	11.7
199.14830	7.4
201.16364	8.2
203.17892	11.7
213.16348	3.3
214.07700	1.5
215.17929	5.9
217.19609	2.5
227.17943	2.6
229.19569	5.6
255.21112	6.4
269.22580	2.7
271.24249	12.0
297.22095	1.7
311.27258	15.1
329.21323	1.8
329.24841	9.5
329.28436	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28622	0.6
58.54272	0.6
59.67918	0.5
64.63870	0.6
70.25235	0.6
74.98271	0.6
79.27765	0.6
86.90484	0.6
88.43009	0.7
89.60835	0.7
97.03967	0.8
111.50581	0.7
177.76465	0.7
178.58806	0.7
197.03032	0.7
227.57695	0.8
289.07666	0.9
312.04684	1.1
330.05832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0585
Annotation	Nitisinone
Peak:m/z	Relative Intensity
53.06945	1.8
68.36348	1.7
150.05359	1.9
241.37109	2.1
244.50008	1.8
330.05850	100.0
340.32483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97982	0.4
54.70651	0.4
60.43512	0.4
84.36040	0.5
111.26120	0.5
137.47421	0.6
151.29924	0.6
177.05434	0.6
221.56792	0.7
225.07898	2.1
240.10217	2.1
241.07259	2.2
242.08109	8.5
254.05632	0.6
256.05905	0.8
270.07590	36.7
271.08371	13.3
286.07227	2.5
286.10715	23.2
312.08740	2.8
314.06598	8.9
315.07468	5.5
330.09735	100.0
330.13205	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69785	0.4
51.73860	0.4
57.93647	0.4
58.06351	0.7
58.06608	11.0
70.06586	0.7
76.51256	0.4
78.91971	0.4
79.76145	0.4
82.75614	0.5
86.09692	3.1
107.04942	2.3
116.07059	3.7
121.06461	0.6
137.06084	0.6
160.04694	0.6
168.06567	2.1
176.07051	0.8
190.08731	0.8
196.07706	0.6
202.84459	0.5
224.06963	2.1
225.07764	4.3
239.59213	0.5
240.10181	9.1
241.07227	0.7
242.08083	39.1
244.09656	0.6
253.07205	0.8
254.08044	4.2
256.05957	4.1
268.06161	2.5
270.07578	35.9
271.08371	29.9
274.10638	0.7
284.09204	2.3
285.11218	3.4
286.07135	7.3
286.10724	15.2
296.05734	1.2
296.09259	2.4
297.06332	6.4
297.09909	2.2
312.08646	7.7
312.12250	3.2
314.06558	5.5
314.14163	0.6
315.07352	7.7
315.10800	1.0
330.09702	100.0
330.12985	5.2
330.16806	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07172	0.3
67.05505	2.4
67.21201	0.4
69.07063	0.7
71.04990	0.5
74.37859	0.4
80.99353	0.4
81.07052	2.9
85.06576	0.4
93.07084	0.7
95.08624	3.8
97.10139	0.6
109.10111	0.6
119.08544	0.7
121.10143	0.6
135.11653	0.5
157.56479	0.6
200.07089	3.7
200.16446	2.4
201.07822	0.6
224.07089	0.5
226.08647	1.1
228.06538	100.0
229.07330	2.1
242.08086	13.8
270.07596	29.1
284.09116	0.6
285.00375	0.5
294.24298	2.3
298.03949	0.8
298.07098	14.4
302.10229	9.2
316.08115	1.0
330.09656	5.1
333.02740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69785	0.4
51.73860	0.4
57.93647	0.4
58.06351	0.7
58.06608	11.0
70.06586	0.7
76.51256	0.4
78.91971	0.4
79.76145	0.4
82.75614	0.5
86.09692	3.1
107.04942	2.3
116.07059	3.7
121.06461	0.6
137.06084	0.6
160.04694	0.6
168.06567	2.1
176.07051	0.8
190.08731	0.8
196.07706	0.6
202.84459	0.5
224.06963	2.1
225.07764	4.3
239.59213	0.5
240.10181	9.1
241.07227	0.7
242.08083	39.1
244.09656	0.6
253.07205	0.8
254.08044	4.2
256.05957	4.1
268.06161	2.5
270.07578	35.9
271.08371	29.9
274.10638	0.7
284.09204	2.3
285.11218	3.4
286.07135	7.3
286.10724	15.2
296.05734	1.2
296.09259	2.4
297.06332	6.4
297.09909	2.2
312.08646	7.7
312.12250	3.2
314.06558	5.5
314.14163	0.6
315.07352	7.7
315.10800	1.0
330.09702	100.0
330.12985	5.2
330.16806	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.097
Annotation	Melanocin B
Peak:m/z	Relative Intensity
51.94853	0.4
54.92976	0.4
86.09710	0.5
92.21581	0.6
97.70290	0.4
119.04948	0.6
120.05257	0.7
147.04405	0.6
148.04851	0.6
152.77542	0.5
175.03885	1.2
176.04262	2.5
185.66068	0.5
205.18202	0.5
207.06548	0.9
208.06866	4.4
225.07852	1.2
240.10222	1.9
241.07219	0.9
242.08110	8.2
256.06012	1.0
259.09732	0.6
270.07574	41.6
271.08374	14.2
277.10672	0.8
286.07230	2.0
286.10699	22.3
286.13864	0.8
309.21658	0.6
312.08701	4.6
314.06573	11.4
315.07391	5.7
330.09723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0969
Annotation	Melanocin B
Peak:m/z	Relative Intensity
58.06595	4.0
61.81413	0.6
65.93472	0.6
66.64083	0.6
70.06578	0.8
84.08135	0.9
92.21478	0.6
93.56579	0.7
101.49497	0.8
105.06976	0.9
111.26357	0.6
113.35275	0.7
116.07067	1.2
120.67423	0.6
121.06480	0.7
178.04994	0.7
225.07784	1.1
240.10219	1.5
241.07385	1.0
242.08060	8.9
246.78046	0.8
254.08067	1.2
255.09105	1.0
257.06857	0.9
270.07547	34.8
271.08301	11.9
271.10428	0.7
286.07220	2.6
286.10608	23.1
312.08661	3.3
314.06586	9.9
314.09940	2.1
315.07370	4.6
315.10968	3.8
330.09689	100.0
330.13293	16.7
330.16498	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1333
Annotation	Melicopicine
Peak:m/z	Relative Intensity
58.06606	9.6
66.37315	0.5
70.06608	0.6
72.17524	0.6
80.24298	0.5
83.02387	0.5
83.57088	0.5
89.14147	0.6
92.03512	0.5
94.61903	0.6
102.55402	0.6
107.04954	4.3
121.06508	0.9
123.04413	1.2
127.03925	0.6
136.17177	0.5
137.05963	0.9
140.06905	0.6
143.04930	0.7
154.65094	0.6
163.06339	0.6
163.07564	3.0
168.06566	0.9
175.07599	1.2
190.05023	2.3
190.08614	2.6
197.09575	0.8
205.10971	28.6
206.11790	6.4
232.09671	93.2
234.52684	0.6
235.07506	3.3
254.08037	0.7
267.10101	0.9
268.05994	1.4
270.07742	2.9
283.08371	31.7
285.11163	6.7
287.07925	2.4
298.07687	0.6
298.10828	3.1
302.10101	3.1
312.15860	7.2
314.10150	2.5
315.10986	14.9
330.09802	9.1
330.13345	100.0
330.17026	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1333
Annotation	Melicopicine
Peak:m/z	Relative Intensity
58.06606	9.6
66.37315	0.5
70.06608	0.6
72.17524	0.6
80.24298	0.5
83.02387	0.5
83.57088	0.5
89.14147	0.6
92.03512	0.5
94.61903	0.6
102.55402	0.6
107.04954	4.3
121.06508	0.9
123.04413	1.2
127.03925	0.6
136.17177	0.5
137.05963	0.9
140.06905	0.6
143.04930	0.7
154.65094	0.6
163.06339	0.6
163.07564	3.0
168.06566	0.9
175.07599	1.2
190.05023	2.3
190.08614	2.6
197.09575	0.8
205.10971	28.6
206.11790	6.4
232.09671	93.2
234.52684	0.6
235.07506	3.3
254.08037	0.7
267.10101	0.9
268.05994	1.4
270.07742	2.9
283.08371	31.7
285.11163	6.7
287.07925	2.4
298.07687	0.6
298.10828	3.1
302.10101	3.1
312.15860	7.2
314.10150	2.5
315.10986	14.9
330.09802	9.1
330.13345	100.0
330.17026	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1337
Annotation	Stephanaberrine
Peak:m/z	Relative Intensity
55.96587	0.3
56.05051	0.6
58.06609	77.3
63.23899	0.3
70.06590	4.9
71.07418	0.4
72.08147	0.4
72.85829	0.3
74.62090	0.3
81.38535	0.4
84.82004	0.3
86.09762	0.4
91.05479	0.4
93.07040	0.4
100.53738	0.4
107.04960	20.4
115.05539	0.3
116.07098	0.6
121.06499	6.0
123.04476	1.5
131.04951	0.6
132.16708	0.3
137.05981	5.5
138.06442	0.4
141.00000	0.4
143.04950	1.4
145.06517	3.3
147.04407	0.6
151.07607	0.4
153.05498	2.4
154.08635	0.6
159.04442	4.2
161.06012	3.3
163.07579	1.9
163.09926	0.6
164.07127	0.8
165.07483	0.4
167.07013	0.7
168.10268	0.4
173.06081	0.4
175.03954	0.6
175.07626	0.5
179.07033	0.6
188.07986	0.4
191.06996	2.8
192.10262	0.8
193.08688	1.4
200.07095	0.8
202.98640	0.4
208.09749	2.3
210.11333	1.4
213.07811	2.6
222.92320	0.5
225.09274	1.4
232.09683	10.3
237.00714	0.4
252.07513	1.8
253.08298	5.9
267.09537	2.3
268.05997	0.5
270.07977	0.4
283.08414	0.6
284.09637	0.7
285.11014	7.9
287.12802	2.5
299.13040	0.5
312.12216	3.4
315.11124	0.5
315.14587	0.8
330.06735	1.7
330.09149	2.6
330.09995	2.9
330.13419	91.8
330.17096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	9.6
66.37315	0.5
70.06608	0.6
72.17524	0.6
80.24298	0.5
83.02387	0.5
83.57088	0.5
89.14147	0.6
92.03512	0.5
94.61903	0.6
102.55402	0.6
107.04954	4.3
121.06508	0.9
123.04413	1.2
127.03925	0.6
136.17177	0.5
137.05963	0.9
140.06905	0.6
143.04930	0.7
154.65094	0.6
163.06339	0.6
163.07564	3.0
168.06566	0.9
175.07599	1.2
190.05023	2.3
190.08614	2.6
197.09575	0.8
205.10971	28.6
206.11790	6.4
232.09671	93.2
234.52684	0.6
235.07506	3.3
254.08037	0.7
267.10101	0.9
268.05994	1.4
270.07742	2.9
283.08371	31.7
285.11163	6.7
287.07925	2.4
298.07687	0.6
298.10828	3.1
302.10101	3.1
312.15860	7.2
314.10150	2.5
315.10986	14.9
330.09802	9.1
330.13345	100.0
330.17026	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24551	0.4
63.28820	0.4
85.02904	1.1
91.05495	5.1
95.04964	2.7
97.02889	0.7
119.04942	8.1
136.06192	4.2
137.05968	1.1
144.06509	0.8
151.07541	100.0
163.07547	3.0
167.07057	0.7
168.06621	0.6
168.10103	0.7
180.10178	4.3
192.10126	4.2
228.33316	0.5
236.07066	0.5
248.12520	0.5
294.13287	2.7
312.14392	40.7
330.05927	0.7
330.09308	1.9
330.15536	18.3
351.58173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.8
70.06590	0.7
70.14307	0.4
85.02904	1.0
91.05482	6.8
95.04957	3.3
104.07102	0.6
109.66512	0.4
113.02354	0.4
116.07081	0.4
119.04929	10.5
121.06465	0.8
121.74117	0.4
123.04434	4.2
123.15309	0.4
131.04910	0.7
136.05171	0.8
137.05995	2.3
144.06528	0.8
147.04414	2.0
149.05885	0.5
151.07541	100.0
154.03702	0.4
160.07536	0.6
162.07658	1.6
163.07544	1.7
165.05507	2.0
166.06142	1.6
167.07039	4.4
168.06528	0.8
177.05449	1.6
178.08562	1.6
180.10121	2.8
192.10191	2.9
209.08015	0.7
223.04425	0.5
227.09132	2.1
229.70166	0.5
268.06067	0.5
294.13324	1.0
312.14398	43.3
330.06522	1.2
330.10748	1.9
330.15527	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Dehassiline
Peak:m/z	Relative Intensity
50.43231	0.6
64.54925	0.8
65.38454	0.7
67.24383	0.7
70.00283	0.6
88.08263	0.8
91.05506	0.9
106.71640	0.7
137.05988	34.6
137.51935	0.7
143.04930	18.8
151.07541	4.5
175.07550	19.9
177.07846	3.4
178.08578	1.0
192.10197	100.0
207.08064	1.1
227.10748	1.6
235.07516	0.9
239.10779	3.1
255.10396	0.8
259.25085	0.8
267.10193	3.7
290.08099	0.8
299.12793	5.1
314.13007	1.1
315.13696	0.8
330.16989	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1696
Annotation	Dehassiline
Peak:m/z	Relative Intensity
57.18642	0.9
66.17985	1.0
68.84473	1.0
72.08186	1.3
134.17703	1.3
137.05983	35.0
138.69180	1.4
143.04898	17.5
151.07552	3.0
175.07582	26.4
177.07849	1.9
192.10201	100.0
196.08113	1.2
207.08015	2.1
239.10620	2.3
242.56100	1.3
255.10014	1.3
267.10138	5.3
299.12781	5.7
330.16992	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54582	1.0
51.06931	1.0
58.06607	74.9
64.85184	1.3
74.35396	1.2
91.02967	1.1
92.20860	1.4
105.78044	1.1
107.04962	23.0
115.80314	1.3
121.06503	6.2
145.06482	2.1
153.05426	2.6
159.04401	2.8
191.07025	2.0
197.55887	1.3
208.09578	2.3
225.09184	1.4
246.01369	1.2
253.08583	7.1
284.09149	1.8
285.11087	9.3
312.08759	1.4
330.10004	4.0
330.13602	4.9
330.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
58.06607	53.2
59.06316	1.0
59.06938	10.8
59.50792	0.8
63.19220	0.7
89.24283	0.7
103.05450	1.8
107.04983	7.4
121.02877	1.2
121.06501	1.2
127.60847	0.7
131.04936	3.2
133.06439	1.3
135.04379	1.4
137.05957	1.4
140.42157	0.9
163.07538	15.5
190.08647	1.1
191.07051	8.2
197.09621	1.2
205.11034	1.7
206.08163	0.9
207.08311	3.4
208.08664	1.0
221.10536	3.4
222.10887	9.6
223.11107	12.7
224.11952	1.5
235.07428	4.8
247.84145	0.9
253.07576	1.6
267.09665	4.3
269.43195	0.8
270.07806	3.5
284.09662	5.6
285.10672	19.4
287.11810	1.6
312.05090	1.0
312.08466	1.4
330.06015	3.6
330.09613	3.9
330.16394	100.0
343.72299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Dehassiline
Peak:m/z	Relative Intensity
56.54974	0.6
58.06608	7.3
58.06840	0.7
59.90179	0.6
72.08157	7.0
73.49437	0.7
86.09710	11.3
88.64584	0.8
115.05440	3.3
121.05354	0.7
123.04421	8.0
137.05978	30.7
143.04929	19.9
151.07555	5.6
152.81660	0.8
161.06084	0.9
163.07486	1.3
175.07530	23.8
177.07823	1.3
185.16516	3.7
192.10194	58.1
196.06314	0.8
207.07993	1.0
210.72226	0.8
213.15973	4.8
235.07565	1.2
239.10736	1.8
253.08794	1.0
255.09328	0.7
267.10068	3.4
268.06348	0.8
268.09598	2.8
270.07648	0.9
270.11267	1.8
284.09683	1.0
285.11203	1.3
286.10376	0.9
287.12808	1.2
297.10022	4.6
298.10861	1.1
299.12839	4.6
312.08612	13.8
314.13092	3.2
315.13794	5.0
330.06207	3.1
330.09750	10.0
330.13315	7.7
330.16843	100.0
341.90878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54974	0.6
58.06608	7.3
58.06840	0.7
59.90179	0.6
72.08157	7.0
73.49437	0.7
86.09710	11.3
88.64584	0.8
115.05440	3.3
121.05354	0.7
123.04421	8.0
137.05978	30.7
143.04929	19.9
151.07555	5.6
152.81660	0.8
161.06084	0.9
163.07486	1.3
175.07530	23.8
177.07823	1.3
185.16516	3.7
192.10194	58.1
196.06314	0.8
207.07993	1.0
210.72226	0.8
213.15973	4.8
235.07565	1.2
239.10736	1.8
253.08794	1.0
255.09328	0.7
267.10068	3.4
268.06348	0.8
268.09598	2.8
270.07648	0.9
270.11267	1.8
284.09683	1.0
285.11203	1.3
286.10376	0.9
287.12808	1.2
297.10022	4.6
298.10861	1.1
299.12839	4.6
312.08612	13.8
314.13092	3.2
315.13794	5.0
330.06207	3.1
330.09750	10.0
330.13315	7.7
330.16843	100.0
341.90878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
50.29153	0.3
55.02991	0.4
55.48896	0.4
57.04098	0.4
58.06607	83.9
60.01947	0.4
71.09425	0.4
71.33007	0.4
71.90038	0.4
91.26973	0.4
92.85963	0.4
98.11568	0.4
105.60875	0.5
115.05494	0.5
123.04424	22.5
137.05954	7.2
143.04938	9.6
145.06416	0.4
149.06026	0.7
151.07550	4.4
160.05252	0.4
161.05951	2.0
163.07542	1.7
175.07542	14.3
176.08311	0.4
177.09093	0.7
192.10225	2.0
193.11002	1.9
207.08055	0.6
209.09706	0.5
225.09158	1.0
227.10707	0.6
235.07605	0.6
253.08589	1.9
255.10213	0.8
285.11157	7.4
287.12793	2.3
315.10913	0.6
330.13565	4.7
330.16977	100.0
351.80151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	65.6
59.45811	0.9
65.28433	1.0
68.12976	1.0
101.60698	1.1
107.04962	21.4
121.06494	2.7
142.48824	1.2
145.06480	1.6
150.09265	1.2
153.05467	1.8
159.04395	1.8
161.06085	1.4
167.06996	1.5
191.07072	2.1
193.08530	1.6
208.09727	1.8
225.09120	2.0
253.08525	7.7
271.07028	1.5
284.09171	4.5
284.13083	1.1
285.11234	6.1
312.08594	1.4
330.10123	4.1
330.13525	5.1
330.16959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13890	0.3
54.70732	0.3
55.76453	0.3
57.78464	0.3
62.05941	0.3
72.08138	0.3
80.64725	0.3
84.73919	0.3
115.05434	0.7
118.92217	0.3
119.04919	0.3
122.03619	0.4
128.20819	0.3
137.05984	36.3
143.04929	17.8
151.07552	5.3
160.05212	0.8
160.07463	0.4
161.05969	0.4
163.07581	0.5
175.07538	21.6
177.07858	3.1
177.09131	0.3
178.08752	0.4
192.10196	100.0
207.08080	2.9
227.10669	2.1
235.07552	2.0
239.10635	2.7
247.85626	0.4
255.10107	1.4
267.10141	4.4
269.08347	0.4
284.10504	0.7
287.12769	0.7
290.87445	0.4
299.12802	5.9
314.13055	0.5
315.13785	0.6
330.16986	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1696
Annotation	Dehassiline
Peak:m/z	Relative Intensity
51.71285	0.5
72.08154	0.8
115.05453	1.5
115.76670	0.6
116.05045	0.6
137.05986	38.1
143.04932	14.2
151.07545	4.0
163.07582	0.7
175.07536	19.5
177.07825	1.5
178.08662	0.8
192.10197	100.0
207.08115	2.7
207.86852	0.7
235.07576	0.8
239.10732	2.3
255.10194	0.8
267.10095	5.2
284.10556	0.8
299.12820	5.7
314.12885	0.7
330.16989	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1701
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
51.26956	0.9
58.06606	44.8
59.06920	6.0
72.95354	1.1
77.00419	0.9
79.01514	1.1
89.58039	1.1
105.30797	1.4
107.04929	2.6
108.05247	1.7
115.05428	4.4
116.36427	1.1
120.77602	1.1
123.04422	31.3
137.05986	12.2
143.04935	12.1
161.05945	1.8
175.07605	13.9
192.10135	7.7
193.10970	2.0
194.11708	2.6
207.07887	1.9
236.27370	1.2
249.91864	1.2
253.08719	1.3
285.11047	7.7
330.16785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
50.29931	0.5
51.62185	0.6
58.06607	24.7
74.03500	0.6
81.90809	0.6
115.05458	4.3
123.04428	27.0
131.04962	1.0
133.27089	0.7
137.05994	10.5
139.44389	0.8
143.04924	11.6
151.07509	1.5
161.06026	1.7
163.07571	1.1
175.07533	15.2
192.10202	3.7
192.40036	0.8
193.11076	1.0
194.11880	0.8
225.09099	1.5
235.07594	1.5
244.09473	0.8
253.08664	1.5
267.10123	1.4
279.57434	0.8
285.11224	11.0
287.12787	0.8
330.16980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Dehassiline
Peak:m/z	Relative Intensity
52.93998	0.7
56.73055	0.7
57.88707	0.8
60.40881	0.7
62.46275	0.7
65.40620	0.7
76.51257	0.7
77.64206	0.7
80.19971	0.9
115.05441	1.2
120.13810	0.9
133.01353	0.8
137.05980	37.0
143.04935	16.8
150.57109	1.0
151.07587	6.6
167.70593	0.8
175.07552	20.8
177.07852	3.7
192.10190	100.0
207.08022	2.0
235.07558	1.3
239.10660	3.9
249.50249	0.8
259.63998	0.9
267.10159	5.5
298.65411	0.9
299.12811	3.4
330.13419	4.5
330.16962	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Sinomenine
Peak:m/z	Relative Intensity
58.06607	65.8
67.07804	0.6
71.08206	0.5
96.85592	0.6
107.04914	0.8
115.05447	1.2
123.04424	17.8
137.05969	6.9
143.04936	7.4
147.25996	0.6
151.07545	2.6
161.06026	1.4
163.07559	1.3
175.07527	9.6
187.14352	0.9
192.10223	1.1
193.10983	1.2
207.08105	0.8
214.27336	0.6
225.09192	0.6
253.08589	2.3
270.09048	0.8
285.11197	7.4
287.12827	1.5
330.16980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Sinomenine
Peak:m/z	Relative Intensity
50.54582	1.0
51.06931	1.0
58.06607	74.9
64.85184	1.3
74.35396	1.2
91.02967	1.1
92.20860	1.4
105.78044	1.1
107.04962	23.0
115.80314	1.3
121.06503	6.2
145.06482	2.1
153.05426	2.6
159.04401	2.8
191.07025	2.0
197.55887	1.3
208.09578	2.3
225.09184	1.4
246.01369	1.2
253.08583	7.1
284.09149	1.8
285.11087	9.3
312.08759	1.4
330.10004	4.0
330.13602	4.9
330.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
51.28772	0.4
58.06608	66.5
72.99172	0.5
88.65453	0.5
107.04961	24.4
121.06516	5.8
131.04926	0.6
137.06006	2.3
143.04861	1.0
145.06491	2.9
151.17815	0.6
153.05493	1.0
159.04376	4.0
161.05965	0.8
163.07504	2.4
190.08673	0.7
191.07053	2.2
193.08853	0.6
205.10977	9.1
206.11847	2.1
207.08102	3.0
208.09665	0.9
225.09044	1.0
235.07541	3.1
236.21437	0.5
251.14404	0.6
253.08524	4.0
267.10019	2.3
269.11624	0.6
285.11157	7.6
287.12640	1.0
312.16040	0.7
330.16989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	53.2
59.06316	1.0
59.06938	10.8
59.50792	0.8
63.19220	0.7
89.24283	0.7
103.05450	1.8
107.04983	7.4
121.02877	1.2
121.06501	1.2
127.60847	0.7
131.04936	3.2
133.06439	1.3
135.04379	1.4
137.05957	1.4
140.42157	0.9
163.07538	15.5
190.08647	1.1
191.07051	8.2
197.09621	1.2
205.11034	1.7
206.08163	0.9
207.08311	3.4
208.08664	1.0
221.10536	3.4
222.10887	9.6
223.11107	12.7
224.11952	1.5
235.07428	4.8
247.84145	0.9
253.07576	1.6
267.09665	4.3
269.43195	0.8
270.07806	3.5
284.09662	5.6
285.10672	19.4
287.11810	1.6
312.05090	1.0
312.08466	1.4
330.06015	3.6
330.09613	3.9
330.16394	100.0
343.72299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1698
Annotation	Dehassiline
Peak:m/z	Relative Intensity
54.49199	0.6
63.33470	0.6
72.08145	0.8
103.81222	0.7
115.05458	1.1
122.13646	0.8
137.05972	35.3
143.04921	19.6
149.72459	0.8
151.07559	5.0
160.05247	1.0
175.07532	26.2
177.07843	3.1
178.08568	0.7
187.50671	0.7
192.10187	100.0
199.29489	0.8
207.08067	1.1
216.91322	0.8
227.10574	1.1
235.07587	1.0
239.10712	3.3
255.10153	1.2
267.10110	3.0
299.12875	4.9
330.16974	82.0
345.66296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32935	0.6
55.05516	1.1
57.07092	0.7
58.91134	0.8
59.18084	0.6
60.96925	0.7
61.19533	0.6
61.54701	0.7
67.05525	0.6
69.07073	1.2
81.07077	1.3
83.08652	0.9
91.05478	7.5
93.07080	0.7
97.10176	0.9
105.07013	6.5
107.08596	1.0
108.08165	5.0
109.06528	1.5
117.07059	0.8
120.08106	1.1
121.10177	0.9
123.08068	1.0
131.08655	0.7
137.13290	1.2
138.37596	0.7
147.11801	0.9
164.14330	5.0
165.12785	0.9
165.15115	6.8
186.12791	1.0
213.57022	0.7
214.12276	9.5
238.22314	0.8
256.20590	23.0
284.20090	100.0
330.20667	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35889	7.6
55.05502	14.5
55.25910	6.5
57.03434	7.7
57.43629	6.3
59.79637	6.9
66.91555	7.9
67.05509	100.0
69.07074	37.2
71.04955	7.2
79.05486	48.6
81.07057	81.0
83.04979	8.3
83.08630	16.7
87.44648	7.3
91.05482	14.9
93.07027	53.1
95.08594	33.9
97.10175	14.3
105.30793	8.7
107.08573	19.1
109.10166	64.4
121.10133	13.3
123.11716	15.3
125.09637	9.4
135.11740	13.0
137.09605	10.1
146.22772	8.0
155.10706	12.0
173.11807	35.5
177.05815	8.5
211.13063	9.3
277.21539	58.3
295.22617	76.3
317.96652	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06972	3.3
55.05514	20.7
57.07077	7.3
57.21392	3.6
67.05525	41.5
69.03439	4.8
69.07074	26.7
71.04983	5.1
71.08623	8.6
75.95901	3.7
79.05507	32.9
81.07054	61.9
83.04982	19.5
83.08630	17.3
89.36591	3.8
91.05472	19.8
93.07053	61.3
93.60935	3.8
95.08617	43.4
96.65077	3.7
97.06521	8.9
97.12058	4.6
103.50182	3.7
105.07095	12.9
107.08601	24.3
109.06590	4.0
109.10160	19.5
111.08035	4.5
117.06998	4.7
119.08561	8.7
121.00471	4.7
121.10155	26.5
125.09624	6.0
131.08559	7.1
133.10141	28.1
135.11676	22.8
139.11195	32.4
147.11726	5.8
149.13258	9.7
151.11194	4.9
159.11694	5.6
161.13269	5.8
163.11320	5.4
165.12680	4.9
195.13843	41.3
237.90303	4.4
277.21692	47.6
295.22626	48.5
330.16617	5.7
330.20425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05518	21.3
57.03432	13.1
57.07088	3.7
66.55119	2.9
67.05510	78.7
67.69463	2.8
69.07059	20.1
71.04993	4.0
71.75964	3.1
79.05501	20.8
81.07058	50.7
83.04966	13.9
83.08611	30.1
83.09388	3.7
91.05482	16.2
93.07038	31.5
95.04967	6.5
95.08619	23.9
97.06506	5.2
97.10152	7.0
99.08083	3.3
105.07057	7.1
106.70631	4.0
107.08588	19.4
109.10163	89.5
111.08036	5.8
117.07079	4.0
119.08556	17.9
121.10127	17.0
123.11686	6.3
125.09692	4.5
133.10176	11.3
137.09619	4.7
139.11171	13.5
147.11697	5.8
149.13257	4.2
151.11224	4.7
155.10672	33.6
159.11681	4.9
173.11748	100.0
193.12254	3.9
211.13289	6.0
212.23680	4.6
242.46402	3.1
277.21631	39.4
295.22745	27.4
330.26208	15.8
352.54861	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12626	3.5
55.05515	34.1
67.05509	18.5
69.07069	15.8
71.08627	4.1
79.05496	8.6
81.07059	20.0
83.08627	50.4
93.07047	16.9
93.60506	3.7
96.14997	4.0
97.10168	99.0
107.08566	20.0
109.10185	4.8
121.10183	4.4
125.09618	100.0
133.10078	5.6
135.08032	5.8
135.11703	5.4
137.05984	17.1
171.10188	16.6
189.11209	91.5
194.17641	3.9
197.70581	4.0
198.75096	4.0
224.47218	4.6
233.46254	4.1
277.21555	50.1
295.22614	42.8
312.25427	4.5
330.22186	6.1
336.68320	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Morusimic acid B
Peak:m/z	Relative Intensity
54.65350	2.4
55.05532	5.4
56.57003	2.9
57.03428	3.1
57.07095	3.0
58.06604	28.0
61.22432	2.5
67.05510	37.8
69.07066	26.0
73.27120	2.7
79.05495	24.3
81.07067	70.3
83.04990	3.9
83.08611	14.4
85.06529	3.6
91.05478	4.8
93.07035	50.7
95.04975	3.8
95.08603	56.7
97.06538	13.3
97.10155	11.5
99.08083	17.6
105.07023	13.7
107.08593	36.3
109.06514	3.5
109.10191	23.6
111.08051	5.0
113.09613	3.8
119.08560	22.5
121.06500	11.3
121.10145	44.1
123.08096	3.9
123.11691	5.3
125.09621	12.7
131.08493	4.9
133.10144	15.4
133.62894	2.9
134.40895	3.0
135.08061	2.9
135.11702	31.2
137.09604	4.9
139.11176	10.8
141.40825	2.8
145.10109	5.6
147.11679	29.7
149.13286	16.8
151.11168	6.6
156.13849	5.5
159.11682	6.0
160.03891	4.2
161.13190	19.6
163.11206	3.4
164.07007	3.2
165.12747	3.7
171.11710	5.2
173.13255	5.2
175.14813	5.9
178.04980	22.7
179.14294	3.2
183.74562	2.5
184.13344	10.9
196.16905	6.5
228.06586	3.3
241.19540	6.1
259.20389	20.3
276.23138	22.4
277.21603	55.7
294.24277	100.0
295.22620	4.1
300.59430	3.9
307.08435	5.3
308.09058	28.5
312.25339	51.7
314.10349	3.8
315.08661	6.0
322.10278	17.9
330.11615	18.5
330.26230	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
56.73481	2.1
57.07093	19.7
57.07304	2.1
60.04537	2.8
65.29877	2.2
67.05511	42.8
69.07063	4.9
71.04981	4.7
71.08622	3.7
79.05521	4.2
81.07070	28.5
83.04932	3.4
83.08622	12.5
84.95650	2.4
85.06557	4.0
93.07054	11.1
95.04981	2.9
95.08614	14.5
99.08104	2.4
105.07011	2.3
107.08604	10.8
107.80800	3.0
109.10165	93.4
111.08089	5.3
119.08574	9.5
121.06510	10.9
121.10196	2.9
123.08076	2.7
125.09633	3.6
127.11168	5.1
133.10150	2.8
134.34238	2.4
137.09677	9.0
139.11172	2.6
149.09596	5.8
155.10684	23.1
156.10339	3.8
169.12288	4.2
170.11748	4.7
172.13326	100.0
173.11742	65.1
174.11284	3.0
182.99025	2.4
192.10233	5.0
193.15825	2.9
202.14406	11.8
277.21591	12.5
294.24274	5.7
295.22693	3.5
322.10223	3.3
330.11685	3.6
330.26382	11.4
335.60010	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3364
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07081	3.3
60.58174	0.3
62.06068	0.3
63.15658	0.3
67.05503	0.5
69.07063	0.6
70.06237	0.4
70.06593	6.9
71.08638	3.0
72.08157	0.3
73.64432	0.3
74.08062	0.3
74.81630	0.3
76.97980	0.3
79.05486	0.6
81.07053	0.8
83.06107	0.3
85.10171	1.5
88.07626	14.0
89.16180	0.3
93.07053	0.4
95.08598	1.8
96.87212	0.3
102.09189	4.7
106.08676	11.3
107.08545	0.5
109.07674	0.4
109.40482	0.4
112.08747	0.5
130.12297	0.5
148.08691	0.5
202.14160	0.3
216.06502	0.5
257.57114	0.4
268.30106	0.5
286.31119	0.6
312.25311	0.6
312.32593	9.5
330.20389	1.1
330.33649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.042
Annotation	3',5'-Cyclic IMP
Peak:m/z	Relative Intensity
72.23795	2.3
96.95097	2.7
99.86404	2.6
108.59999	2.6
163.07053	2.9
179.87520	2.5
255.25584	2.9
287.05927	2.8
331.04224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84006	3.0
70.88681	3.4
76.59208	3.9
91.40185	4.2
131.01920	6.9
179.69289	3.8
197.02945	17.9
233.02946	5.0
259.06525	6.2
277.07602	4.6
287.06116	5.9
290.31213	4.2
331.04312	100.0
338.26254	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73507	0.9
55.80643	0.9
61.61835	1.0
63.03769	0.9
68.11965	1.1
70.06578	1.0
72.08142	1.2
84.08136	1.0
85.02898	1.2
85.42587	1.0
87.04474	1.5
113.41222	0.9
145.73073	1.1
151.03838	1.3
151.07545	1.7
152.07874	1.6
169.04933	4.0
205.66292	1.0
245.09106	1.2
299.07312	18.4
313.08780	7.5
313.14719	2.0
331.09937	100.0
331.13037	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1003
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.30946	0.3
50.46558	0.3
51.08484	0.3
56.09945	0.3
57.28975	0.3
72.08151	1.0
78.49294	0.4
86.09650	0.4
124.05940	0.5
188.46448	0.4
189.03050	0.4
226.08148	2.0
241.10468	1.9
242.07986	3.1
243.08444	7.6
257.06421	1.6
270.07526	5.4
271.07916	34.0
272.08704	10.1
286.10449	1.2
287.07648	1.0
287.11050	21.4
313.08920	3.1
314.06680	0.7
315.06906	10.5
316.07733	5.1
331.09988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Bussealin E
Peak:m/z	Relative Intensity
50.05557	0.6
50.38630	0.6
53.25305	0.5
57.01123	0.7
58.40524	0.5
58.69978	0.5
61.56977	0.6
68.03252	0.6
81.07064	0.9
84.81168	0.6
91.05472	4.4
95.04982	1.1
107.04982	2.9
107.08621	0.8
109.10158	8.6
110.88818	0.7
116.07084	1.6
119.04939	4.0
121.06468	2.7
129.06982	1.4
131.04942	0.9
137.05965	9.9
139.11449	0.7
141.06995	1.0
149.05997	4.3
151.07536	9.1
151.11169	4.4
152.06232	0.9
153.06993	3.2
154.07820	0.8
155.08582	1.5
157.06503	2.6
161.05972	1.5
163.07553	1.5
165.06938	8.2
167.07101	2.0
167.08440	2.1
168.05698	1.3
169.06493	0.9
169.12283	1.4
174.38353	0.7
177.05434	0.8
178.07718	0.7
181.06447	7.1
182.07285	3.5
183.08032	9.4
185.05957	1.5
189.09102	2.9
193.06374	1.4
195.08029	6.7
196.05226	4.5
197.05934	4.4
197.09599	0.9
198.06790	3.2
199.07480	2.9
200.08339	1.1
209.05983	4.2
210.06749	6.9
211.07553	12.3
212.08299	3.3
213.05533	5.1
213.09076	3.0
214.06300	0.9
221.05919	2.7
221.09586	1.0
223.07497	3.0
225.05415	2.7
225.09010	5.0
226.06224	1.5
227.07042	5.7
227.10721	3.1
228.07860	6.1
230.05699	1.0
238.06299	3.3
239.07036	3.6
240.07840	1.0
241.04987	1.7
241.08633	3.3
243.10216	3.8
245.08037	2.7
249.09039	3.1
251.07158	0.9
252.07819	1.0
253.08659	5.6
253.12192	1.5
255.06468	2.8
255.10101	4.0
256.07297	3.8
257.08044	3.7
270.08731	1.3
271.06613	0.9
271.09393	5.8
272.10547	1.1
273.07559	5.4
281.08289	1.0
284.06821	1.2
285.11093	0.8
287.12619	5.6
288.09912	4.4
299.09164	1.4
303.12183	1.2
313.14322	1.7
316.09225	4.4
331.11755	100.0
331.14948	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25728	0.3
61.02930	0.4
69.03431	0.8
70.06570	0.5
81.03411	0.4
84.08134	3.4
85.02902	7.6
86.09734	1.2
97.02882	1.9
99.04433	0.4
107.04956	32.9
108.01740	0.4
109.02891	0.6
111.04470	0.6
112.80181	0.3
116.07104	0.3
121.06470	0.4
123.04422	0.9
125.05981	1.8
127.03929	1.3
129.10254	3.7
130.04971	0.6
139.13139	0.4
145.04887	0.4
147.07654	0.5
152.07063	100.0
168.06590	0.4
169.04970	8.7
193.80482	0.4
291.85175	0.4
331.11194	0.5
331.15179	1.7
331.23334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
57.06807	1.6
69.03431	1.7
74.89164	1.6
79.21824	1.6
91.05485	22.3
95.04971	10.0
103.05517	2.3
105.07059	4.0
107.04940	8.0
109.06524	9.1
110.36523	2.2
114.05016	2.1
119.04918	19.2
121.06515	9.2
122.03678	2.3
122.06096	2.2
122.08176	1.9
127.03895	3.9
129.07016	18.5
131.04968	3.9
133.06497	2.3
135.08064	8.8
136.05203	2.1
137.05981	88.4
145.06511	2.3
149.05962	13.8
151.03893	2.4
151.07541	100.0
157.06506	15.7
161.05971	13.4
161.09604	7.9
163.07550	26.9
164.48047	1.8
165.06975	2.5
165.09082	2.5
167.07213	2.5
167.08519	12.8
169.04939	2.6
172.89076	1.9
174.06779	8.6
175.07588	3.8
177.09224	2.3
179.08646	2.3
181.06410	2.1
182.07193	2.1
189.09090	30.1
190.04962	7.6
193.06468	9.1
193.10179	8.7
195.08000	27.2
207.08200	2.1
207.10182	8.7
209.09608	4.2
210.06619	2.1
212.08292	7.4
213.22130	1.9
221.06010	15.3
221.09593	15.8
223.07523	16.9
224.08241	3.7
225.09105	14.2
227.10657	44.4
237.09169	3.7
240.07675	2.5
249.09065	2.6
252.08066	2.4
253.08572	25.2
253.12108	18.5
255.10074	26.3
267.10190	10.1
269.08203	2.4
270.08740	2.4
272.10486	3.1
285.11240	19.0
287.12796	50.5
313.14359	25.5
331.09198	2.4
331.12393	4.0
331.15524	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.96744	2.0
53.62634	1.8
58.06607	27.1
62.67125	2.3
69.46653	2.3
84.88017	2.1
86.58684	1.9
91.05478	10.6
107.25146	2.2
110.24640	2.0
113.29663	2.5
119.04923	5.4
120.05643	2.8
121.06477	9.2
129.06967	5.6
137.05969	31.8
149.05991	4.4
150.53510	2.0
151.03856	2.7
151.07558	40.8
157.06537	4.7
161.05966	10.0
161.09584	2.8
163.07498	5.4
167.08533	4.8
168.13792	3.3
171.08115	2.7
174.06792	2.7
189.09134	13.8
192.10275	3.2
195.08049	12.2
207.10254	3.4
210.06720	3.4
221.09709	5.5
223.07509	4.9
225.09140	3.3
227.10661	18.0
241.08542	4.4
249.08873	2.6
253.08626	10.5
253.12245	10.1
255.06252	3.1
255.10118	11.2
272.10168	3.0
273.11057	15.9
285.11212	4.7
287.12726	29.1
313.14365	13.5
313.21231	4.1
322.16376	3.8
331.13089	12.8
331.17172	100.0
331.22195	21.9
352.95132	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1531
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
62.24710	1.9
62.25253	1.5
63.16980	1.7
79.21886	1.4
84.78535	1.5
90.51459	1.5
91.05482	20.4
92.20994	2.6
95.04966	3.7
105.07034	2.5
107.04945	7.0
109.06543	2.1
119.04951	21.5
121.06521	7.3
122.03638	2.0
128.06215	1.7
129.06989	17.1
131.04897	6.7
131.08537	2.0
133.06468	2.7
135.08078	7.0
136.05215	2.0
137.05977	94.2
145.06483	3.2
149.06000	16.9
151.03886	7.0
151.07530	100.0
154.13126	1.9
157.06471	23.2
161.05902	14.1
161.09601	4.3
163.07524	23.8
165.06990	3.4
165.09097	3.6
167.08556	9.7
174.06770	7.5
175.07527	2.8
178.07800	2.2
189.09102	31.1
193.06502	8.3
193.10110	10.1
195.08029	29.7
207.10277	2.9
209.09613	4.0
212.08281	7.3
221.05952	14.3
221.09508	18.3
223.07492	13.3
225.09125	15.4
227.10622	45.2
237.09007	2.6
238.06297	1.9
240.08087	2.3
241.06898	2.0
249.09172	3.7
253.08542	21.4
253.12140	21.7
255.10115	25.4
267.10156	8.4
269.08197	2.0
270.08636	2.2
272.10397	7.8
281.11731	7.2
285.11209	16.5
287.12775	62.2
301.14178	1.9
313.05511	2.8
313.14386	26.2
323.92178	1.8
331.12054	4.8
331.15390	21.3
337.52048	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.82018	1.4
58.06600	14.7
61.33811	1.5
65.80341	1.5
68.70119	1.9
80.05733	1.7
90.66598	1.7
91.05457	17.3
95.04940	3.2
102.21982	2.1
103.05441	8.8
105.07006	3.0
107.04972	24.5
109.06532	2.6
115.05492	2.5
117.06937	2.4
119.04941	18.7
121.06494	14.5
129.06979	15.4
129.81467	1.7
131.04929	9.0
131.08609	1.8
133.06506	3.3
135.08067	14.0
137.05977	89.8
145.06531	3.4
147.04445	2.6
149.06013	18.9
150.06761	3.0
151.07541	100.0
155.25005	1.9
157.06454	16.1
161.05974	60.1
161.09575	17.2
163.07529	44.4
165.05531	2.4
165.09097	2.9
167.08546	14.2
174.06747	9.6
175.07565	8.3
177.09210	2.5
188.66057	1.9
189.09064	40.6
190.05014	1.8
193.06494	3.8
193.10263	10.8
195.08002	27.3
207.08231	3.6
207.10159	37.9
212.08247	3.7
221.05966	10.8
221.09599	15.3
223.07590	15.9
224.08438	3.2
225.09079	14.5
227.10648	45.3
237.09135	2.1
238.06395	2.1
238.09718	2.9
240.07776	2.8
249.09160	6.8
253.08537	22.1
253.12228	18.0
254.09259	2.5
255.10103	22.9
267.10205	9.1
269.08054	2.8
272.10522	3.1
281.11691	6.7
285.11209	21.2
287.12750	59.7
313.14374	24.7
322.47653	1.9
331.17468	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
72.20739	0.7
78.35795	0.8
79.05476	1.1
91.05482	18.6
94.04185	1.1
95.04957	7.8
103.05482	1.7
105.07054	1.6
107.04945	7.1
109.06504	5.6
115.05467	1.3
117.07004	1.1
119.04929	16.3
121.06485	7.2
122.03604	1.5
123.04438	1.2
123.08041	1.3
128.06212	1.0
129.06985	15.0
131.04939	6.5
131.08519	1.3
131.13069	0.9
135.04425	0.9
135.08055	6.1
136.05186	3.2
136.21814	0.8
137.05972	86.7
143.04872	1.1
145.06493	3.4
148.05177	1.1
149.05949	11.2
151.03920	4.8
151.07533	100.0
152.06258	1.0
157.06476	11.7
161.05957	12.4
161.09598	4.2
162.06854	0.8
163.07533	20.2
165.06973	5.1
165.09128	4.0
167.08540	9.9
169.06326	0.9
169.10098	1.3
174.06723	8.1
175.07494	3.7
177.09135	3.3
178.07806	1.6
179.08598	0.9
181.06425	1.1
181.10155	1.0
189.09091	32.6
193.06482	5.4
193.10161	7.9
195.08061	28.9
197.09666	1.4
199.11147	1.0
203.08591	1.2
207.08211	1.1
207.10143	4.6
209.09633	2.0
210.06747	4.1
211.07635	1.3
212.08315	5.4
220.08870	1.2
221.06015	14.0
221.09596	14.0
223.07500	10.8
224.08315	5.1
225.05492	1.7
225.09091	13.4
227.07144	1.2
227.10628	38.0
235.07549	1.6
237.09198	1.6
238.06252	3.7
238.09778	1.2
239.06955	1.3
239.10655	2.1
240.07767	4.5
241.08449	0.8
249.09135	6.7
252.07585	2.7
253.08585	20.7
253.12213	20.1
253.41571	0.9
254.09352	1.1
255.06668	1.0
255.07239	1.4
255.10150	25.7
256.10861	0.9
267.10220	8.6
269.08054	6.8
269.11746	1.2
270.08865	3.8
272.10440	5.0
281.11758	6.0
284.10431	2.0
285.11221	19.2
287.12747	56.2
298.11972	1.8
299.12650	1.5
301.14310	4.1
313.10971	1.6
313.14331	25.0
331.11612	1.8
331.15335	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.52370	2.2
69.67728	2.2
75.68100	3.1
77.06481	2.5
91.05463	22.1
105.07014	4.2
105.97190	2.5
107.04958	4.3
119.04952	16.1
121.06507	13.2
126.36073	3.1
129.07001	13.6
137.05980	82.7
147.41045	2.7
149.06010	17.5
151.06409	4.0
151.07550	100.0
153.06821	2.9
157.06493	18.1
161.05963	13.7
161.09573	5.2
163.07558	16.9
165.07018	4.9
165.09224	4.4
167.07060	4.5
167.08530	6.5
180.77573	2.7
183.08038	3.9
189.09113	31.0
193.06511	3.4
193.10123	5.2
194.68907	3.1
195.07962	24.7
197.06105	3.4
198.06781	3.5
207.10207	4.6
209.09627	4.5
210.06688	5.3
211.07591	12.7
213.05348	4.4
214.06458	3.1
221.05974	15.8
221.09621	12.4
223.07516	12.7
224.08438	3.3
225.05336	4.5
225.09196	9.5
227.07141	3.9
227.10664	32.6
228.07872	5.0
238.06375	4.9
241.08586	3.8
242.09477	3.0
243.10175	3.4
249.09030	6.9
251.06955	3.5
253.08643	19.7
253.12227	21.1
255.10202	18.4
267.10080	5.6
269.07816	4.8
270.08701	3.8
271.09695	14.7
272.10373	5.9
281.11716	5.0
285.11176	10.7
287.12784	57.4
295.20660	4.5
298.61404	3.2
313.14334	22.2
331.11722	88.8
331.15384	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65013	0.7
58.06622	0.9
58.57751	0.8
61.38560	0.8
72.08136	1.2
75.01859	0.8
77.48014	0.8
84.04503	1.6
84.66544	0.8
130.65793	0.9
137.05981	30.9
138.06317	19.5
140.50458	0.9
143.04942	12.4
144.05254	10.6
151.07518	4.5
152.07858	3.9
152.67538	0.9
158.62025	0.9
175.07509	12.9
176.07845	16.0
178.08179	1.1
188.14224	1.0
192.10188	60.2
193.10542	77.7
208.08327	3.5
228.10971	1.4
236.07887	1.7
267.09967	1.0
268.10446	5.3
288.13181	1.1
300.13153	8.6
319.10602	1.0
331.09326	3.2
331.17294	100.0
354.17282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66423	0.5
50.91455	0.4
55.62313	0.5
58.06609	21.3
59.06941	4.4
59.40847	0.5
62.93586	0.4
65.85568	0.5
67.59348	0.5
70.58753	0.6
72.49940	0.5
91.88372	0.6
104.80984	0.6
115.05476	0.8
123.04432	18.0
124.04768	10.2
137.05983	4.6
138.06337	4.4
143.04935	6.9
144.05269	7.2
146.06885	0.6
152.07861	0.7
161.05951	2.6
162.06331	0.9
175.07556	5.8
176.07901	6.8
179.98552	0.6
193.10727	1.1
194.11403	0.8
195.12230	0.7
197.94019	0.6
236.07797	0.8
254.08899	3.1
268.10504	1.1
270.12274	0.6
286.11597	8.2
288.13159	2.4
327.79245	0.6
331.17325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74799	0.4
58.06607	63.3
59.06942	10.6
59.07216	1.0
62.06382	0.4
70.06586	0.9
72.08160	0.8
76.81853	0.6
79.06626	0.5
95.64077	0.5
101.04002	0.5
107.04963	15.1
108.05291	8.5
115.04018	0.5
121.06521	4.3
122.06850	2.0
132.05240	0.7
145.06473	1.2
146.06859	1.0
147.04489	0.5
153.05475	1.2
154.05751	1.0
159.04388	2.3
160.04729	3.0
167.07079	0.7
191.07005	0.5
192.07314	2.0
194.08987	0.6
208.09732	1.1
209.10008	2.2
210.11327	0.7
211.11565	0.7
215.29478	0.6
226.09528	0.6
253.08638	0.8
253.18593	0.5
254.08952	4.4
286.11548	6.6
288.12976	0.9
331.17300	100.0
342.89935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72565	1.2
53.62164	1.1
54.87008	1.2
59.71280	1.1
71.37695	1.2
72.33762	1.2
89.42586	1.2
97.88544	1.3
107.75282	1.3
130.55833	1.3
137.05971	30.3
138.06316	22.5
143.04962	11.8
144.05235	12.7
151.07538	7.6
152.07884	2.4
161.05559	2.1
175.07521	14.6
176.07838	15.3
178.08298	1.5
192.10197	64.4
193.10542	80.8
197.46806	1.5
208.08513	1.7
240.11086	1.5
268.10474	4.9
286.11337	3.1
300.13098	2.0
331.17300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
60.04520	1.4
66.70592	1.3
67.05487	2.0
69.07060	1.6
81.07043	2.9
95.08559	1.8
107.08652	1.7
110.09653	1.5
119.08564	1.6
121.10181	1.7
133.64534	1.2
145.10056	1.3
207.09955	4.7
261.14618	3.3
331.12082	2.9
331.18768	100.0
331.26807	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74583	1.3
55.05499	1.6
57.07067	1.6
67.05508	1.8
68.80837	1.3
70.23049	1.2
81.07038	1.6
95.08595	1.6
119.08544	1.6
218.81578	1.6
313.17841	2.4
331.11404	2.4
331.18774	100.0
331.26590	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.82143	0.3
51.75282	0.3
51.87573	0.3
61.51118	0.3
67.05511	0.6
80.64684	0.4
93.07055	0.6
105.07047	0.6
107.08586	0.6
119.08610	0.4
147.11732	0.6
159.11668	0.6
161.13396	0.6
169.93044	0.4
191.03020	0.4
209.13371	0.4
299.23587	2.1
311.09744	0.5
313.17780	6.0
331.18799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	2.5
62.09172	1.2
67.05508	6.3
69.07067	2.2
71.84586	1.4
72.47671	1.5
79.05486	2.7
81.07061	8.2
85.41866	1.6
91.05486	2.3
92.20918	2.0
93.07045	7.2
94.24224	1.6
95.08607	11.4
105.07008	2.0
107.08580	3.8
109.10172	5.9
117.07044	2.1
118.69814	1.6
119.08569	3.3
120.62508	1.3
122.61333	1.5
131.08556	3.0
133.10147	2.8
135.08089	1.6
145.10141	3.8
159.11717	2.3
168.90877	1.8
171.11845	2.7
187.15211	2.1
210.47757	1.8
275.19907	2.2
278.21899	1.7
302.63803	1.9
313.17770	6.9
331.12772	2.7
331.18820	100.0
331.22614	12.2
331.26477	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.61696	0.8
52.31182	0.7
62.75780	0.8
63.54000	0.8
67.05527	1.0
69.07087	0.9
78.58298	0.9
81.07053	1.9
105.07092	1.0
119.08520	1.3
133.10156	1.1
153.56647	0.9
227.24501	1.0
290.15097	1.9
308.16177	2.2
331.18817	100.0
331.22815	7.4
333.36560	1.1
335.29056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
65.50035	0.9
70.84803	0.8
101.32008	1.0
222.51660	1.1
226.11122	3.6
238.19286	0.9
244.12186	1.7
331.18793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.62470	1.1
52.47113	1.2
55.05517	2.0
55.85790	1.2
62.84938	1.3
67.05499	2.2
69.07086	1.6
71.05021	2.0
79.05486	2.7
81.07050	6.8
91.05493	2.0
95.08609	3.6
98.90362	1.5
103.02423	1.5
107.08566	2.4
109.10146	2.5
119.08561	2.5
121.10101	2.3
123.08020	1.8
143.08572	2.1
203.32266	1.7
236.97958	1.6
278.22070	2.7
331.18811	100.0
331.22504	6.4
342.84146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
67.05492	1.1
69.07066	1.3
69.24197	0.9
76.59194	1.0
81.07043	1.5
83.08626	1.5
91.05482	1.9
93.07071	1.2
95.08567	1.9
105.07005	2.0
107.08561	1.8
133.10150	1.1
145.10136	1.1
145.58780	0.9
147.11725	1.1
159.11552	1.2
169.10159	1.1
177.06203	1.0
181.82921	1.2
236.50485	1.2
257.20795	4.5
283.06735	1.3
285.17462	1.5
285.20340	21.6
290.17960	1.8
313.21295	1.1
331.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.83776	1.1
55.05495	1.2
57.07071	2.1
71.08606	1.5
80.56310	1.1
80.64619	1.2
81.07064	1.5
81.51582	1.1
95.08572	1.5
105.06997	1.5
107.08607	1.5
111.09538	1.1
117.59195	1.3
121.10091	1.8
133.10181	1.2
163.64777	1.2
257.20935	2.3
261.26428	1.3
270.19818	1.3
271.58823	1.3
285.20377	14.7
313.27496	2.1
331.18719	100.0
331.21628	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.224
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
56.15525	3.5
56.48470	3.3
74.05683	3.6
74.06106	6.6
81.26027	3.4
83.86880	3.4
88.62939	3.4
139.50703	5.4
225.86557	3.8
331.22403	100.0
331.33768	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63366	0.3
53.04762	0.3
57.63695	0.3
59.44635	0.3
59.81932	0.3
60.09943	0.3
60.38264	0.3
75.89783	0.4
81.07065	0.4
93.07008	0.4
95.08601	0.4
102.20113	0.4
142.20267	0.3
170.00943	0.4
259.84982	0.4
278.43616	0.4
288.45670	0.4
318.51114	0.4
331.22427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2241
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
53.30710	0.7
56.37744	0.6
69.07080	0.9
98.47589	0.9
135.17200	0.8
180.66284	0.8
210.03741	0.9
228.79878	0.8
315.76782	0.9
331.22427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2266
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.05507	2.3
57.18343	2.4
59.53899	2.1
65.79459	2.0
66.83090	1.8
79.05508	5.1
81.07055	11.4
82.65800	2.8
91.05487	2.5
93.07034	5.5
95.08614	11.4
97.06544	5.4
104.91132	2.3
105.07035	20.2
106.76440	2.4
107.08585	11.9
109.06528	29.3
109.10140	4.5
111.08078	5.2
117.06950	2.5
119.08569	16.5
121.06466	2.3
121.10143	9.2
123.08041	4.8
127.51901	2.7
131.08557	10.6
133.10126	14.1
135.08069	5.3
135.11655	2.4
137.09622	3.4
143.08575	14.6
145.10127	31.3
147.08022	4.3
147.11673	10.1
149.09564	4.8
155.08540	4.2
157.10107	13.6
159.11694	23.4
161.13228	5.9
169.10063	5.3
171.11682	5.4
173.13266	9.6
175.11191	4.8
183.11665	4.9
185.13257	14.4
187.11180	3.0
195.11699	5.9
197.13261	11.9
199.10976	3.7
199.14908	3.5
205.50545	2.4
209.13176	10.2
211.14830	4.4
221.13226	5.5
223.14807	2.6
229.06895	5.1
235.14714	3.1
239.14226	4.2
251.18048	9.8
253.15874	9.2
253.19656	5.3
269.81726	3.2
277.19461	10.8
295.20569	98.8
313.21588	100.0
331.18774	56.7
331.22696	11.5
331.26505	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.263
Annotation	15-alpha-Hydroxymansumbinone
Peak:m/z	Relative Intensity
55.05512	3.4
57.07068	9.0
62.29750	2.0
67.05531	2.0
69.07069	2.6
71.08628	7.3
72.89489	1.7
74.78294	1.7
79.05508	2.2
81.07075	14.1
85.06554	3.2
85.10191	3.1
88.35171	1.9
91.05420	2.1
93.07031	4.6
95.08643	14.3
105.07005	8.4
107.08608	14.5
109.10133	16.0
111.08038	13.9
111.36947	2.0
119.08578	9.7
121.10148	8.4
123.08072	50.0
131.08568	3.1
133.10110	10.1
135.02420	2.1
135.11703	8.2
137.09636	9.9
143.08597	4.2
145.10123	18.8
147.11700	13.3
151.94913	2.1
155.08441	2.3
157.10144	2.4
159.11700	13.6
161.13257	10.9
171.11710	4.9
172.20268	2.2
173.13255	8.8
175.14774	9.0
185.13248	8.6
187.14793	8.2
197.13286	12.7
199.14783	9.8
201.16396	2.6
211.14809	7.6
213.16374	3.3
225.16333	12.9
227.17883	2.3
239.17940	8.2
239.23486	3.6
253.19543	3.9
255.21077	21.2
281.22623	54.8
287.23672	4.4
297.08826	2.1
299.23730	53.1
313.22018	2.3
313.25211	9.5
313.28073	2.7
331.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2628
Annotation	(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester
Peak:m/z	Relative Intensity
51.07116	1.9
54.05627	1.9
66.46028	2.0
69.07069	2.4
79.05473	2.6
81.07057	9.5
82.87452	2.0
83.08623	2.1
85.06539	14.3
85.99236	2.2
93.07043	15.6
95.08599	10.4
105.07049	4.9
107.08605	14.4
109.10153	9.5
119.08566	3.9
121.10126	3.9
133.10133	11.8
135.11696	8.3
145.10120	12.4
147.11679	20.2
149.13274	3.6
157.10153	2.5
158.66924	2.2
159.11630	14.4
161.13231	13.1
163.14684	2.1
171.11699	3.6
173.13263	11.6
175.14893	3.5
185.13251	2.9
191.14355	3.3
197.13292	2.2
199.14819	4.9
199.94926	2.0
201.16373	2.7
203.14296	13.5
205.15915	8.1
211.14772	3.3
212.78224	2.2
215.18111	2.9
225.16336	4.1
229.19470	2.6
241.19402	2.3
255.21048	5.3
257.22736	2.2
265.31982	2.2
281.22540	29.1
294.85355	2.4
299.23685	100.0
331.26355	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.03421	1.0
57.07084	1.7
67.05498	3.0
68.41080	1.1
69.07075	2.0
70.07378	1.2
74.62434	1.1
79.05482	2.0
80.08135	1.2
81.07071	8.7
81.11308	1.3
83.08607	2.0
84.26634	1.1
85.06548	2.0
87.69968	1.3
91.05487	5.0
92.21501	1.5
93.07035	6.4
95.08607	7.8
105.06992	2.7
106.37830	1.2
107.08598	6.6
109.10143	6.1
119.08569	2.6
121.10146	5.7
131.08591	2.3
133.10118	4.7
135.11748	2.0
145.10127	5.3
147.11664	7.7
149.13252	2.4
157.10057	1.2
159.11681	7.2
161.13260	2.7
173.13318	2.5
185.13235	1.6
189.12862	1.3
203.14375	2.9
229.19385	1.5
255.21169	2.6
267.12686	2.1
273.19263	1.4
278.22055	2.4
281.22696	11.7
285.13763	1.3
295.24579	2.2
299.23697	35.2
313.17767	1.8
331.11926	6.9
331.18799	100.0
331.26385	23.2
331.44980	4.9
352.91382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67837	1.4
53.67163	1.6
55.05508	6.2
56.94009	1.4
57.03434	7.4
57.07085	94.2
67.05511	22.2
69.07072	20.4
71.05009	1.8
71.08634	76.1
73.53699	1.8
75.04506	2.6
79.05489	3.2
81.07059	35.1
83.08624	29.8
85.06541	2.8
85.10185	50.1
91.05460	2.2
93.07033	6.6
94.17822	1.8
95.08008	1.9
95.08609	53.7
97.10151	18.4
105.07039	2.2
109.10175	25.5
111.11713	2.1
116.06541	1.8
119.08517	2.5
121.10157	1.6
123.11713	11.5
125.97300	1.7
133.10144	2.1
137.13264	4.1
145.10120	2.9
146.10504	2.0
147.11725	2.2
151.14827	2.6
159.11769	1.9
173.13362	2.2
179.12442	2.2
198.82146	2.1
221.22699	2.3
239.23692	51.2
257.24734	9.9
281.21994	2.0
299.22772	13.9
313.27371	100.0
331.25784	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.67837	1.4
53.67163	1.6
55.05508	6.2
56.94009	1.4
57.03434	7.4
57.07085	94.2
67.05511	22.2
69.07072	20.4
71.05009	1.8
71.08634	76.1
73.53699	1.8
75.04506	2.6
79.05489	3.2
81.07059	35.1
83.08624	29.8
85.06541	2.8
85.10185	50.1
91.05460	2.2
93.07033	6.6
94.17822	1.8
95.08008	1.9
95.08609	53.7
97.10151	18.4
105.07039	2.2
109.10175	25.5
111.11713	2.1
116.06541	1.8
119.08517	2.5
121.10157	1.6
123.11713	11.5
125.97300	1.7
133.10144	2.1
137.13264	4.1
145.10120	2.9
146.10504	2.0
147.11725	2.2
151.14827	2.6
159.11769	1.9
173.13362	2.2
179.12442	2.2
198.82146	2.1
221.22699	2.3
239.23692	51.2
257.24734	9.9
281.21994	2.0
299.22772	13.9
313.27371	100.0
331.25784	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.8
57.03439	6.6
57.07082	100.0
63.85887	2.3
67.05498	17.5
69.07048	13.0
69.94118	2.1
71.08631	71.0
75.04502	2.4
79.79652	2.1
81.07054	30.0
83.08611	19.6
85.10168	33.6
87.53809	2.4
95.08607	43.4
97.10158	12.6
101.66220	2.4
103.36708	2.3
109.10171	26.1
123.11691	12.1
128.90666	2.9
153.31705	2.9
228.45741	2.6
239.23656	35.7
257.24713	2.8
313.27325	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.63388	2.2
55.05510	9.7
57.03439	10.1
57.06824	4.6
57.07087	100.0
65.72800	2.3
67.05508	22.9
69.07068	15.3
71.08636	72.5
75.58355	2.2
81.07066	29.8
83.08624	21.7
85.10188	40.9
90.56937	2.3
92.21568	4.7
95.08613	47.7
97.10178	10.1
109.10157	26.1
111.11729	3.5
123.11694	5.1
125.13155	3.0
164.13513	2.3
166.88289	2.8
189.55655	2.3
220.34422	3.1
239.23657	49.0
257.24716	4.1
273.17432	2.7
313.27368	90.6
331.33936	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27447	2.6
57.03442	3.8
57.06821	5.0
57.07085	100.0
62.04821	3.0
67.05506	18.7
68.43974	2.7
69.07052	14.6
71.08637	67.3
77.96666	3.0
81.07075	30.6
81.40855	2.9
83.08624	19.7
85.10174	33.4
89.50119	3.2
89.82863	2.7
95.08610	49.0
97.10177	12.8
101.52050	2.9
105.06973	4.3
107.08533	3.4
109.10188	23.2
111.11742	3.2
123.11725	7.4
201.08092	3.4
239.23729	39.7
250.57024	3.6
273.92191	3.5
313.27344	82.6
331.22629	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.96338	2.7
53.00333	2.6
55.05515	5.0
57.03452	3.8
57.07082	100.0
57.72791	2.8
67.05500	14.2
69.07066	20.7
70.99367	2.9
71.08274	5.3
71.08633	85.7
71.56443	3.5
81.07063	29.5
83.08625	21.2
85.10190	40.3
95.08610	56.4
96.60739	3.1
97.10176	5.8
103.89338	2.9
109.10154	31.3
112.96033	3.6
122.20576	3.7
123.11666	7.0
151.31615	3.2
207.41870	3.6
239.23698	46.3
257.24796	3.7
313.27402	91.7
350.20425	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.2
57.03444	6.3
57.07087	95.5
61.78915	4.2
66.60517	3.7
67.05498	27.9
69.07072	25.9
70.06609	4.2
71.08633	79.5
72.08167	10.1
78.06502	4.2
79.05481	8.7
81.07071	48.9
83.08620	29.4
83.14317	4.7
83.98057	4.2
85.10181	43.8
87.02689	5.6
91.05507	5.4
93.07035	9.1
93.62432	4.3
95.08612	68.5
96.97697	4.1
97.10155	11.0
99.08096	4.4
103.12565	4.9
105.07014	9.6
107.08609	10.2
109.10156	41.2
117.06966	4.7
119.08548	7.2
121.10134	8.5
123.11658	8.3
131.08586	5.3
133.10201	7.6
135.11659	5.0
145.10081	4.4
147.11739	5.7
161.13316	5.0
169.10107	5.0
169.26982	4.1
175.07915	4.0
181.50630	4.3
189.16550	4.5
197.59084	5.3
239.23746	31.7
299.23578	8.9
313.21909	5.8
313.27350	100.0
331.22705	16.5
331.26431	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05508	10.2
56.77208	1.7
57.03444	4.6
57.07084	100.0
67.05513	18.5
69.07063	22.4
71.08636	84.8
71.09041	2.4
75.04516	2.0
81.07059	36.2
83.08622	30.2
84.52750	1.6
85.06593	2.2
85.10191	44.7
85.66674	2.2
88.90247	2.1
89.70112	1.8
95.08607	65.1
97.10168	10.6
109.10178	26.5
111.08100	2.5
111.11753	3.2
123.11720	13.3
125.13272	1.8
126.19384	2.4
137.13289	3.8
165.16310	1.9
239.23666	39.8
257.24609	3.2
293.16064	2.2
313.21838	2.6
313.27374	98.7
331.22461	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02188	1.3
58.06583	1.3
59.31697	1.1
61.90200	1.2
63.41882	1.4
65.40889	1.2
69.03411	1.7
74.13462	1.3
85.02913	17.6
85.32977	1.2
86.09688	8.2
95.05008	12.0
97.02875	2.3
99.04480	1.7
107.04932	5.3
109.02885	11.3
123.04421	33.8
127.03876	5.6
133.02835	1.9
135.02631	6.1
135.04404	7.0
145.04932	2.6
147.04361	1.8
149.00610	2.6
151.02080	7.7
151.03905	54.7
155.01613	13.0
163.02133	12.4
163.03873	7.4
164.04631	5.4
165.00026	6.9
167.01628	5.0
169.03159	6.1
179.01617	12.4
179.03238	3.0
180.08664	2.3
181.03197	2.8
183.01106	73.2
191.01602	15.8
197.02681	100.0
205.03186	1.8
207.01117	6.2
210.05212	22.1
211.00580	42.4
211.02574	1.6
225.02167	3.0
236.44420	1.6
243.03160	14.7
315.05319	56.3
332.07941	68.2
332.11002	2.5
332.13910	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02188	1.3
58.06583	1.3
59.31697	1.1
61.90200	1.2
63.41882	1.4
65.40889	1.2
69.03411	1.7
74.13462	1.3
85.02913	17.6
85.32977	1.2
86.09688	8.2
95.05008	12.0
97.02875	2.3
99.04480	1.7
107.04932	5.3
109.02885	11.3
123.04421	33.8
127.03876	5.6
133.02835	1.9
135.02631	6.1
135.04404	7.0
145.04932	2.6
147.04361	1.8
149.00610	2.6
151.02080	7.7
151.03905	54.7
155.01613	13.0
163.02133	12.4
163.03873	7.4
164.04631	5.4
165.00026	6.9
167.01628	5.0
169.03159	6.1
179.01617	12.4
179.03238	3.0
180.08664	2.3
181.03197	2.8
183.01106	73.2
191.01602	15.8
197.02681	100.0
205.03186	1.8
207.01117	6.2
210.05212	22.1
211.00580	42.4
211.02574	1.6
225.02167	3.0
236.44420	1.6
243.03160	14.7
315.05319	56.3
332.07941	68.2
332.11002	2.5
332.13910	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04434	0.7
53.95040	0.6
54.47843	0.6
82.89468	0.7
114.94061	0.8
146.96356	0.7
159.11584	0.7
166.35907	0.7
182.19389	0.7
246.09151	3.1
261.07935	1.6
274.08627	4.8
275.09360	1.5
276.10233	5.7
289.07379	21.3
302.08139	15.6
303.08893	45.6
304.09680	27.6
314.08041	1.0
317.06924	2.8
330.07623	1.2
332.09183	100.0
332.22211	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09436	2.4
56.14486	2.2
85.02917	4.8
85.65121	3.0
97.02925	3.4
99.04472	3.7
103.74876	2.4
108.08139	25.0
121.06502	11.0
124.07607	2.9
136.07611	4.3
152.07072	30.8
159.30859	2.5
160.10025	3.7
164.06941	2.5
170.08160	6.3
185.01242	3.3
186.48569	2.5
187.02805	2.9
200.06866	3.0
200.80045	2.9
226.11102	2.6
255.76317	3.0
291.03821	6.0
296.11075	3.0
309.04816	6.6
332.10678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62835	2.4
54.35639	3.4
56.75369	2.9
58.41119	2.5
62.29315	3.0
69.03448	3.4
71.28083	2.7
72.08161	14.0
84.39209	3.0
85.02904	21.0
97.02905	14.7
99.04436	7.0
108.08129	20.8
122.05876	3.1
127.03925	6.7
134.06012	5.0
136.07559	3.3
138.09148	3.4
145.04956	3.6
152.07083	27.5
163.06030	5.5
170.08060	12.7
188.09122	5.1
191.84645	3.2
234.03400	3.5
257.58438	3.2
258.63403	3.2
260.12286	3.8
270.88593	3.1
288.23535	3.4
314.12329	7.6
332.10495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56866	1.9
56.96563	5.2
69.03427	3.6
73.02908	2.7
85.02903	10.8
86.09736	2.2
87.38680	2.1
96.88923	2.0
97.02910	5.2
98.97565	14.3
99.04464	2.3
104.10706	3.7
108.08105	10.1
112.37990	2.4
116.98554	2.1
119.49328	2.5
124.99082	5.5
127.03945	3.1
131.09474	2.1
134.99690	3.0
136.23024	2.4
143.00145	20.1
145.05122	2.2
152.07034	10.5
161.01204	11.1
170.05083	5.5
170.99644	15.2
176.07076	2.4
179.02306	3.1
185.01169	13.6
187.02725	2.5
189.00719	13.9
203.02284	13.0
213.00604	8.4
213.93489	2.3
231.01788	15.8
242.07410	2.4
249.02864	16.7
267.03900	11.5
291.03827	24.4
296.11273	10.0
303.80945	2.3
309.04861	40.0
321.10321	3.7
332.07599	5.7
332.10834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56866	1.9
56.96563	5.2
69.03427	3.6
73.02908	2.7
85.02903	10.8
86.09736	2.2
87.38680	2.1
96.88923	2.0
97.02910	5.2
98.97565	14.3
99.04464	2.3
104.10706	3.7
108.08105	10.1
112.37990	2.4
116.98554	2.1
119.49328	2.5
124.99082	5.5
127.03945	3.1
131.09474	2.1
134.99690	3.0
136.23024	2.4
143.00145	20.1
145.05122	2.2
152.07034	10.5
161.01204	11.1
170.05083	5.5
170.99644	15.2
176.07076	2.4
179.02306	3.1
185.01169	13.6
187.02725	2.5
189.00719	13.9
203.02284	13.0
213.00604	8.4
213.93489	2.3
231.01788	15.8
242.07410	2.4
249.02864	16.7
267.03900	11.5
291.03827	24.4
296.11273	10.0
303.80945	2.3
309.04861	40.0
321.10321	3.7
332.07599	5.7
332.10834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40755	0.7
58.06611	9.1
60.04522	1.5
65.41412	0.8
67.46537	0.8
67.71570	0.8
75.07344	0.8
86.09702	12.6
92.20937	1.6
121.06503	2.1
152.07796	1.1
173.12849	8.3
187.68452	0.9
201.12260	1.9
215.05676	1.4
217.01443	0.9
219.13322	1.3
226.17902	1.3
233.57550	1.0
240.06483	5.9
241.07275	17.5
242.07765	1.1
244.06050	5.6
256.09653	7.0
258.07587	100.0
259.08417	8.6
268.06024	63.6
272.09021	2.1
286.16324	1.8
288.12436	2.1
300.08655	61.9
300.11862	2.4
316.11728	1.6
317.12524	1.9
319.39767	1.0
322.10788	1.4
332.11206	85.7
332.14655	10.6
332.17792	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43673	0.4
61.83194	0.4
79.88644	0.4
92.21560	0.7
101.30576	0.5
148.80511	0.5
169.32799	0.5
189.07741	0.6
228.06424	0.9
229.07338	1.9
230.08118	0.8
242.11766	0.8
244.09599	4.4
257.06815	3.2
258.07550	4.8
270.11240	1.0
271.08279	0.7
272.09140	31.8
273.09930	24.6
288.08701	8.1
288.12280	20.6
288.15512	0.8
314.10168	2.9
316.08047	5.2
317.08896	11.4
332.11255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1126
Annotation	Maculosine
Peak:m/z	Relative Intensity
50.38383	0.5
58.06604	4.0
61.02904	0.6
65.53995	0.5
69.03398	0.7
85.02908	4.1
86.09232	0.7
86.09705	13.0
90.05525	0.8
97.02867	0.9
98.97544	1.2
102.05527	0.6
106.19962	0.5
108.08118	1.2
123.04369	2.9
127.03837	0.6
128.92847	0.5
137.05969	6.5
145.04913	0.7
152.07021	2.1
154.96565	0.5
155.08110	0.6
158.99588	0.7
160.08669	0.7
162.05495	12.6
163.06223	0.8
177.00635	0.9
178.04929	0.6
179.03383	0.6
180.06531	3.0
187.09724	0.9
201.08595	2.5
201.99026	0.8
208.06042	35.3
215.13809	1.1
243.13412	4.0
251.06693	0.9
271.05682	0.8
279.06317	1.1
286.10715	100.0
287.11371	5.3
314.10205	4.8
330.79453	0.6
332.11102	60.6
332.18481	4.2
338.62225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.1
65.16242	0.5
71.24529	0.5
73.13279	0.5
73.27792	0.5
74.45055	0.5
75.14746	0.5
81.04534	0.5
91.05495	0.5
94.43958	0.6
97.28091	0.7
107.04922	1.0
111.35721	0.5
121.06484	3.6
137.05991	5.2
149.05966	1.0
153.05424	0.9
173.05984	1.1
185.01428	0.5
195.06487	0.8
201.46144	0.6
229.07370	4.6
244.09625	2.7
257.06720	2.3
258.07608	14.4
270.11215	0.8
272.09158	24.2
273.09955	59.6
286.10947	0.8
288.08643	3.4
288.12286	9.0
300.04980	0.7
314.10165	2.8
315.08112	0.6
315.12601	0.9
316.08038	5.1
317.08878	10.1
332.11240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1128
Annotation	Maculosine
Peak:m/z	Relative Intensity
50.85912	0.9
72.08157	1.4
74.67085	1.0
80.24115	1.0
86.09723	2.6
121.06480	1.9
170.00172	1.1
187.10823	1.2
229.07338	1.6
234.08095	1.2
244.09676	4.5
249.81926	1.2
257.06683	1.3
258.07706	2.3
270.11200	1.6
272.09174	40.0
273.10004	30.0
286.10828	1.4
288.08661	9.4
288.12302	19.0
314.10062	2.0
316.08096	9.0
317.08997	16.3
332.11273	100.0
332.14697	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1126
Annotation	Maculosine
Peak:m/z	Relative Intensity
59.89656	0.7
69.03420	1.5
72.08150	1.0
85.02909	5.1
87.04469	0.9
97.02910	0.8
100.88391	0.6
106.06570	1.6
106.92756	0.6
107.57040	0.6
108.08115	41.5
124.07550	2.7
127.03880	0.9
130.75064	0.7
134.05992	1.4
136.07570	5.8
152.07063	36.7
152.08279	1.5
153.07434	2.8
170.04431	1.0
170.08086	5.9
197.08333	1.0
212.99643	0.7
227.09438	2.9
237.07837	3.3
255.08919	9.0
259.08444	2.9
270.07645	3.2
281.06717	3.6
299.07861	100.0
314.09888	30.5
317.08841	1.3
332.10883	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.8
62.86118	0.7
69.07057	0.9
69.11063	0.7
70.06588	1.4
74.00645	0.7
74.62011	0.6
84.04517	1.5
84.08128	0.8
86.09711	50.9
88.02232	0.8
97.02940	1.0
100.02187	3.1
102.05514	0.9
103.05488	0.7
105.07053	9.6
108.08115	4.0
110.30160	0.8
116.07042	0.8
120.01167	1.0
121.06508	0.8
130.05017	1.7
130.53282	0.7
131.04964	1.1
132.05690	0.9
133.06511	11.3
137.05978	3.2
139.05025	1.6
146.02730	5.8
148.06064	9.0
152.07048	3.2
157.13359	20.8
160.04257	3.2
161.05980	19.4
165.03716	3.5
167.07033	100.0
169.08661	0.8
170.08119	0.7
181.08481	1.3
185.12830	15.0
192.07822	6.1
193.03181	7.5
193.08643	12.8
211.09622	10.5
225.05768	10.0
243.06813	3.9
299.07700	1.4
314.10483	10.7
332.10965	12.5
332.17947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1491
Annotation	Drupacine
Peak:m/z	Relative Intensity
51.23934	0.6
52.36425	0.6
54.55378	0.5
57.43990	0.6
58.06602	20.0
59.06939	4.8
64.39188	0.7
70.06599	0.7
86.09701	1.4
89.21329	0.7
95.05009	0.7
107.04960	5.0
108.05315	1.6
114.05548	4.5
121.06497	3.9
123.04410	1.0
134.06046	0.8
136.11238	1.1
137.02345	2.8
137.06007	2.8
142.04976	1.5
143.04916	4.4
154.91563	0.7
155.07060	0.9
160.06046	0.7
161.05977	6.1
164.07057	100.0
167.06995	1.6
170.11757	0.8
180.10196	7.1
190.08572	1.4
211.07639	1.0
228.10306	1.1
234.11160	4.7
243.04625	0.9
255.09309	0.8
272.06436	0.8
287.09109	4.5
287.11914	1.0
332.11102	8.3
332.14804	29.2
332.17667	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2195
Annotation	Ipratropium
Peak:m/z	Relative Intensity
53.70590	1.0
58.82423	1.2
112.88377	1.1
126.39373	1.2
136.58226	1.2
143.10742	5.7
177.24814	1.4
184.14413	1.3
188.62999	1.3
239.18246	1.3
295.59814	1.6
332.09186	2.9
332.22015	100.0
332.27972	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2196
Annotation	Ipratropium
Peak:m/z	Relative Intensity
50.02558	1.1
52.64968	1.0
67.05501	2.5
81.07072	1.9
95.08612	2.0
116.51439	1.1
129.85284	1.2
141.41597	1.2
206.75244	1.3
232.13625	1.2
242.66051	1.2
297.20602	1.5
332.09268	5.9
332.21967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2195
Annotation	Ipratropium
Peak:m/z	Relative Intensity
60.04549	0.6
62.56190	0.4
65.03835	0.4
69.52918	0.4
69.53586	0.4
72.39425	0.4
95.08584	0.7
163.66905	0.5
169.50218	0.6
251.96526	0.5
304.09750	0.5
314.26782	0.8
332.09171	4.4
332.21960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2193
Annotation	Ipratropium
Peak:m/z	Relative Intensity
53.58209	0.6
57.07080	1.1
60.04532	11.1
67.05492	1.3
71.08623	0.9
73.85204	0.8
81.07067	1.3
82.89459	0.7
87.04453	0.8
93.07053	1.2
94.65480	0.7
95.08601	2.9
97.06532	0.9
107.08556	1.2
135.77165	0.7
152.87862	0.8
296.25699	1.1
314.26816	4.0
317.06689	0.8
317.37207	0.8
332.09085	6.3
332.21964	100.0
332.27731	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.8
56.48732	0.9
57.07077	1.1
60.62386	1.0
61.08598	1.0
67.05516	8.3
69.07061	5.0
71.04980	1.3
71.08637	1.8
71.65224	1.0
79.05481	1.6
79.79430	1.0
81.07070	17.1
83.08595	4.5
85.06548	1.4
93.07024	3.8
95.08603	13.5
97.10198	1.4
107.08596	2.3
109.10180	8.7
109.10853	1.0
111.08133	1.5
111.55643	1.1
113.09605	1.7
119.08582	1.4
121.10165	4.0
123.11691	2.5
135.11705	2.5
137.13306	1.2
146.80779	1.1
147.11699	1.8
164.97978	1.0
181.67114	1.0
260.06772	1.3
261.22156	1.4
278.24759	2.2
279.23212	12.3
296.25894	9.3
315.21469	1.7
332.08975	2.2
332.21930	100.0
332.28085	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2196
Annotation	Ipratropium
Peak:m/z	Relative Intensity
54.50762	1.0
55.05497	1.1
55.86817	0.9
60.04517	5.2
67.05499	1.8
69.07067	1.9
74.39095	0.9
74.96922	0.9
79.05480	1.3
81.07048	4.7
83.19771	0.9
93.07077	1.5
95.08620	1.9
96.15472	1.0
111.15138	1.1
132.34851	1.2
133.10045	1.4
167.98648	0.9
217.14696	1.2
277.54196	1.4
304.22498	5.0
314.27075	1.3
332.22006	100.0
332.28186	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2195
Annotation	Ipratropium
Peak:m/z	Relative Intensity
52.09660	0.7
55.05524	0.7
57.07075	1.6
60.04528	5.7
67.05517	1.3
67.21596	0.8
67.71745	0.7
69.07082	1.4
71.08640	1.0
81.07070	1.4
83.08642	0.9
85.10177	0.9
88.07599	1.6
95.08630	1.9
97.10181	3.7
104.57880	0.8
104.71681	0.7
105.06995	1.0
107.08571	0.9
112.27659	0.8
125.09657	1.4
126.09933	0.8
189.11240	0.9
189.12985	0.9
200.15881	0.8
204.61432	0.8
256.26428	1.7
279.22476	1.5
314.26935	1.7
332.09079	3.4
332.21997	100.0
332.27893	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50762	1.0
55.05497	1.1
55.86817	0.9
60.04517	5.2
67.05499	1.8
69.07067	1.9
74.39095	0.9
74.96922	0.9
79.05480	1.3
81.07048	4.7
83.19771	0.9
93.07077	1.5
95.08620	1.9
96.15472	1.0
111.15138	1.1
132.34851	1.2
133.10045	1.4
167.98648	0.9
217.14696	1.2
277.54196	1.4
304.22498	5.0
314.27075	1.3
332.22006	100.0
332.28186	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39021	0.3
53.69158	0.3
57.07072	0.5
65.13938	0.3
65.94664	0.3
67.05500	0.3
70.06596	0.5
81.07080	0.5
86.06095	0.4
87.04471	100.0
88.07637	1.5
95.08620	0.5
102.09192	0.7
104.07108	1.4
106.52522	0.3
109.10146	0.3
125.43942	0.3
144.62990	0.3
242.24763	0.6
261.22150	0.4
270.27917	4.1
284.25778	1.4
332.09119	0.7
332.27994	32.7
332.31577	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.07085	0.5
62.11523	0.3
81.07069	0.4
81.98753	0.3
86.06076	0.5
87.04467	100.0
88.07639	0.5
95.08624	0.6
104.07095	0.6
105.07022	0.3
122.08208	0.4
228.22942	0.3
242.24886	0.7
284.25854	1.3
314.21570	0.4
332.27933	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70916	0.3
53.85889	0.3
53.94222	0.3
56.12814	0.3
57.07097	0.6
61.99206	0.3
63.98635	0.3
65.25676	0.3
67.05519	0.4
69.74628	0.3
70.06593	0.3
71.08600	0.3
74.12640	0.3
87.04468	100.0
88.07639	1.9
90.86608	0.4
98.61013	0.3
102.09197	0.8
104.07123	1.3
107.04723	0.4
183.77660	0.4
242.24893	0.6
246.24333	0.4
268.15616	0.4
270.27884	4.0
284.25931	2.0
332.09216	1.6
332.28027	32.3
332.31656	5.5
341.20828	0.4
343.44427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51345	2.3
55.05515	10.8
57.07083	44.4
57.14184	1.8
60.04526	4.3
67.05513	50.6
69.07073	30.5
71.05003	3.3
71.08633	45.9
77.27354	1.9
79.05500	28.7
81.07064	64.9
83.04962	4.1
83.08619	29.2
85.06544	4.9
85.10176	23.8
91.05479	4.9
92.20989	2.6
93.07033	30.6
95.04974	3.7
95.08610	100.0
97.06528	9.7
97.10158	20.7
105.07040	9.9
107.08588	31.9
109.10152	58.4
111.08100	3.7
117.07030	3.4
117.47394	2.9
119.08582	4.4
121.06532	5.5
121.10140	45.1
123.08071	9.0
123.11715	10.3
125.09644	15.2
131.08577	9.4
133.10141	11.1
135.08022	5.5
135.11694	22.1
137.09613	3.8
137.13300	3.5
139.07573	3.1
141.09105	13.1
141.12733	10.5
142.12299	5.1
145.10114	5.6
149.09598	5.7
149.13249	10.6
152.83299	2.4
153.03279	3.2
153.09090	9.4
155.10652	5.2
155.14313	9.2
158.11766	36.9
159.10146	17.8
159.11586	3.6
163.11156	3.2
169.15840	4.4
172.13345	15.1
173.11746	18.5
173.13039	2.4
177.16370	9.1
181.15797	5.8
183.13892	2.5
187.14841	2.9
188.12828	3.5
191.14532	2.3
215.17653	2.7
233.22601	13.2
243.21069	12.3
251.23596	18.0
261.22110	33.5
278.24832	23.2
279.23178	52.5
296.25836	70.4
297.20642	3.9
297.24213	3.0
309.13669	2.5
314.26846	19.9
332.18829	11.4
332.22147	86.7
332.28177	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75712	2.0
55.01889	2.7
55.05507	15.1
56.98230	2.3
57.03437	2.5
57.07074	12.4
67.05508	66.1
69.07066	31.5
71.04977	8.7
71.08640	17.0
72.42213	2.4
79.05502	12.7
80.59858	2.7
81.07059	94.9
83.04963	2.6
83.08630	29.1
85.06525	13.6
85.10168	13.6
85.55685	2.6
91.05481	13.1
92.20942	3.2
93.07045	25.7
95.08601	100.0
96.68667	2.0
97.06531	13.5
97.10155	11.3
99.08078	20.2
101.68485	2.3
105.07011	9.6
107.08582	26.0
109.10148	50.3
111.08052	11.8
111.11678	3.0
113.09647	12.9
115.07615	3.0
117.06992	2.2
119.08584	13.0
121.10118	22.3
123.08053	2.9
123.11699	17.9
123.90884	2.4
125.09616	9.1
131.08641	3.1
133.10101	13.5
135.11690	27.4
137.09596	3.4
137.13260	9.8
145.10085	4.3
147.11699	19.8
147.47308	2.2
149.09537	2.4
149.13252	18.3
153.12706	4.7
159.11699	3.3
161.13249	12.7
163.14767	5.2
165.12752	11.6
167.14319	3.0
179.14221	3.3
181.72720	2.3
183.13805	4.7
184.17010	4.6
195.13893	2.6
200.16512	27.0
201.14842	4.0
214.18015	15.0
214.99533	2.2
215.16393	3.5
230.17546	3.3
233.22638	3.8
243.20995	4.7
261.22113	15.6
270.78467	2.1
274.08432	2.4
278.24774	14.9
279.23148	87.0
280.66940	2.3
296.25827	97.1
314.26852	18.1
323.97650	2.1
332.08954	11.7
332.12198	9.4
332.18741	6.1
332.22122	44.0
332.28082	20.9
338.81229	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68945	3.9
55.05509	18.0
57.07072	8.7
67.05524	48.0
69.07076	28.2
71.04995	6.0
71.08626	19.6
78.95158	4.2
79.05502	7.3
81.07058	84.0
83.08627	26.3
85.06557	24.6
85.10197	7.9
91.05479	6.5
93.07045	30.9
95.08604	83.4
97.06541	8.2
97.10172	7.0
99.08085	9.9
107.08625	19.7
109.10139	42.6
113.09651	7.8
119.08586	6.6
121.06458	5.9
121.10099	32.2
123.11719	19.0
125.09639	6.0
133.10094	7.5
135.11685	28.0
136.48708	4.0
137.13329	5.5
147.11679	19.2
149.13286	8.1
151.39670	4.7
160.77127	5.3
165.09076	4.7
178.87227	4.7
181.15909	4.6
195.01311	4.5
200.16472	19.7
214.17973	5.9
233.68285	5.1
242.21188	6.3
261.22055	8.9
278.24786	11.1
279.23196	76.1
296.25879	100.0
314.26642	9.0
332.08841	7.5
332.12424	5.6
332.22260	45.7
332.27795	30.8
346.36380	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19728	2.1
53.36839	2.1
55.05513	3.3
57.07082	12.5
67.05514	25.1
67.44010	2.6
69.07063	12.5
71.05014	2.6
71.08643	10.8
73.45842	2.1
79.05504	3.9
81.07069	37.2
83.08614	10.5
85.06559	5.5
85.10213	5.7
93.07063	17.3
95.08606	35.8
105.07046	3.2
107.08599	12.9
108.33587	2.8
109.10155	21.5
110.85416	2.6
111.08106	2.5
119.08576	3.1
121.10151	10.3
123.11701	4.8
125.09615	3.1
130.16849	2.5
133.10144	3.3
135.11673	12.3
139.70996	2.6
143.45433	2.5
146.34915	2.5
147.11774	3.5
149.13306	3.2
161.13217	3.3
169.12096	2.9
186.14801	3.9
200.16454	5.1
261.22067	4.7
278.24866	4.1
279.23212	27.1
284.25919	3.5
284.79480	2.6
296.25833	38.3
314.26968	4.9
332.09113	11.7
332.21973	100.0
332.27899	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38771	3.5
52.77182	4.4
55.01860	4.4
55.05514	20.3
56.60051	3.8
57.03442	5.1
57.07079	77.2
57.27486	4.3
57.39376	3.3
66.33108	4.1
66.82521	3.8
67.05511	77.3
69.07070	39.8
69.07378	4.5
71.04990	18.4
71.08637	31.9
79.05492	21.2
81.07060	95.9
83.04981	5.8
83.08618	21.3
85.06535	8.1
91.05471	9.2
93.07041	39.3
95.08603	67.8
97.06547	7.0
97.10155	26.8
105.07049	9.5
107.08595	40.3
109.10149	78.2
119.08548	10.2
121.10134	46.8
122.80650	4.2
123.11700	30.6
125.09631	6.4
127.11201	7.1
133.10133	18.1
135.11685	26.6
137.94116	4.5
139.11136	10.8
141.12738	11.0
145.10214	5.2
147.11678	4.9
149.09550	5.3
153.12762	5.6
161.13280	9.4
165.09680	4.3
167.14307	5.2
172.10864	4.4
172.13321	44.5
173.11708	28.7
175.86024	4.3
183.13814	6.9
184.20560	4.5
186.14917	10.8
187.13345	7.8
243.21161	9.2
261.22147	30.1
278.24765	19.6
279.23190	91.5
296.25845	100.0
314.26944	6.9
332.09003	19.0
332.21915	19.9
332.27917	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	3.6
60.04537	9.3
67.05516	1.5
70.06589	6.9
71.08630	3.6
71.69477	0.7
73.46931	0.8
74.20022	0.8
74.92136	0.8
81.07066	1.9
85.10208	1.0
88.07627	12.8
93.07037	1.1
95.08588	1.3
100.07603	1.6
102.09173	3.9
115.28743	0.9
146.08116	6.7
152.10437	1.1
160.09695	3.8
164.09203	4.9
174.36967	0.9
176.23859	1.0
196.44412	0.9
198.04358	1.0
212.23720	1.0
220.32710	0.8
230.24686	1.0
249.96384	0.9
256.26321	14.9
283.90781	1.0
314.26981	15.1
332.09198	3.8
332.22028	23.9
332.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2943
Annotation	N-Methylfuntumine
Peak:m/z	Relative Intensity
52.12463	1.1
54.86416	1.3
55.05521	14.2
56.39555	1.0
57.07063	2.3
67.05508	23.9
69.07066	6.4
70.06595	21.1
70.88194	1.1
72.08158	100.0
79.05473	1.6
81.07069	23.2
93.07040	6.0
95.08607	23.7
97.07832	1.2
98.06059	64.4
107.08587	2.3
109.10153	10.6
110.55662	1.2
121.10145	2.1
123.11691	1.6
126.09188	5.6
140.10683	9.3
143.47383	1.3
154.12280	7.3
168.13834	4.8
177.16312	1.3
182.15421	5.2
194.15517	1.3
196.17055	1.6
210.18503	5.8
224.20053	2.9
250.21597	3.0
274.51169	1.4
332.29474	87.5
332.34055	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81692	0.9
57.33525	0.9
95.84769	1.1
188.48543	1.1
203.25145	1.3
333.06915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08875	1.2
71.12881	1.1
71.71824	1.3
76.89738	1.2
84.08157	2.0
85.02899	1.4
108.08152	9.3
109.08472	6.8
129.10219	1.3
152.07097	5.4
153.07399	6.8
212.58249	1.4
240.95891	1.5
244.09682	1.6
260.31033	1.3
315.12875	1.8
333.06961	100.0
333.13620	8.6
333.17325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1178
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03971	0.5
55.01883	1.4
57.03452	1.7
61.02935	3.2
62.84108	0.3
65.03941	2.8
67.01888	0.3
68.99797	0.7
69.03439	7.2
71.05006	0.5
73.02920	0.7
79.46402	0.3
81.03438	4.0
83.01377	0.4
83.05003	2.1
85.02912	32.4
87.04475	0.9
87.76294	0.3
91.03953	0.8
93.03415	2.4
95.33893	0.3
97.02896	7.8
99.04485	1.7
107.05032	0.4
109.02901	3.4
111.04449	25.1
121.03014	0.4
121.03993	2.4
127.03913	6.0
136.01810	0.4
139.03912	100.0
141.05463	0.6
145.04982	3.3
145.56287	0.4
156.04196	3.3
163.03903	0.6
163.05777	0.5
169.04926	2.3
171.06519	71.7
177.05484	0.5
183.06520	0.6
201.07692	0.4
207.06548	1.3
208.05995	0.5
209.06340	0.8
237.07634	0.4
287.11121	4.2
333.11481	4.3
333.14740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	1.4
57.03440	3.7
61.02928	3.8
64.90233	0.8
65.03944	1.4
68.99787	1.0
69.03435	9.1
73.02898	1.4
77.93079	0.9
81.03427	5.5
83.04977	1.3
84.08154	7.8
85.02909	47.3
86.03244	4.4
86.09734	1.7
87.04476	4.0
93.03419	2.2
97.02892	12.8
98.03238	0.9
99.04462	1.8
107.04957	1.7
109.02888	4.2
111.04440	26.0
112.29963	1.3
121.04000	1.2
127.03927	8.5
135.04446	1.4
139.03905	100.0
145.05000	7.1
146.05322	1.3
147.04312	1.0
149.00554	0.9
150.00887	5.0
153.05467	1.6
156.04193	4.8
159.09108	1.1
169.04942	1.7
171.06516	78.6
180.08632	1.3
193.99835	1.8
262.45358	1.0
263.04391	1.2
287.10962	1.5
316.05524	1.1
333.07770	1.9
333.14297	4.1
333.19199	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03440	3.7
61.02928	3.8
64.90233	0.8
65.03944	1.4
68.99787	1.0
69.03435	9.1
73.02898	1.4
77.93079	0.9
81.03427	5.5
83.04977	1.3
84.08154	7.8
85.02909	47.3
86.03244	4.4
86.09734	1.7
87.04476	4.0
93.03419	2.2
97.02892	12.8
98.03238	0.9
99.04462	1.8
107.04957	1.7
109.02888	4.2
111.04440	26.0
112.29963	1.3
121.04000	1.2
127.03927	8.5
135.04446	1.4
139.03905	100.0
145.05000	7.1
146.05322	1.3
147.04312	1.0
149.00554	0.9
150.00887	5.0
153.05467	1.6
156.04193	4.8
159.09108	1.1
169.04942	1.7
171.06516	78.6
180.08632	1.3
193.99835	1.8
262.45358	1.0
263.04391	1.2
287.10962	1.5
316.05524	1.1
333.07770	1.9
333.14297	4.1
333.19199	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23510	0.7
51.44544	0.7
52.33335	0.8
62.66818	0.8
64.86655	0.8
93.07024	1.9
99.16357	1.0
110.06027	1.7
121.06499	100.0
124.25701	0.9
134.05988	1.1
135.05525	2.0
136.03886	1.2
137.05968	15.1
146.57643	0.9
148.99030	0.9
150.05507	4.7
160.03908	7.6
167.07031	13.4
178.04965	1.0
200.10696	4.4
204.03404	1.2
228.10196	31.1
230.11749	13.2
240.10194	1.4
240.74382	0.9
253.04030	1.1
255.11261	7.4
256.09668	31.8
270.11136	7.5
273.12317	29.5
280.09628	10.9
288.09866	2.0
297.12283	4.4
298.10742	32.3
333.14688	6.6
333.17899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43823	2.4
56.96556	3.5
57.02488	2.2
57.47380	2.7
63.43653	2.6
76.15892	3.0
77.29787	2.7
79.05432	3.8
81.07070	4.4
95.08662	3.1
105.06995	3.3
115.81506	3.3
116.98468	4.7
131.00035	18.4
140.98451	14.8
143.00018	7.3
155.00035	11.6
157.01576	13.1
166.99985	11.3
168.97853	3.1
169.01593	18.9
170.99548	2.9
174.99022	35.4
177.02130	7.1
179.03613	6.1
181.01556	14.3
183.03064	4.2
185.01129	14.5
186.98933	3.5
189.00534	31.5
191.03687	6.3
193.01588	3.1
194.99535	3.9
195.03191	3.9
199.02632	6.6
201.00604	7.4
203.02135	14.4
205.05162	3.1
209.01176	4.3
213.04111	3.9
315.16269	43.7
333.13547	100.0
333.17380	53.8
333.97583	3.7
351.18295	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24270	3.0
55.05501	5.3
56.96578	3.7
57.07076	4.2
60.35126	3.2
61.79446	3.2
67.05515	8.0
69.07066	6.0
79.05495	13.5
79.56705	3.2
81.07069	7.1
83.04980	4.0
87.04457	14.2
90.06860	3.2
91.05462	4.4
93.07041	7.8
95.08607	5.8
101.72284	3.5
105.07051	7.2
107.08632	5.4
109.10093	4.4
119.08568	6.1
121.06477	6.2
121.10138	7.2
127.74474	4.0
128.85014	3.4
131.00058	17.9
133.10133	6.5
135.11653	5.2
140.98491	13.9
143.00023	15.3
145.10127	5.7
153.99208	5.8
155.00034	8.3
159.11742	4.8
167.00046	13.1
169.01579	6.8
171.59538	3.2
174.98973	31.5
177.02061	5.2
179.03714	4.3
181.01581	6.3
183.03111	5.2
185.01102	16.0
189.00531	35.6
199.02670	7.7
201.00632	4.9
203.02159	5.8
205.01564	7.3
249.18686	4.5
256.47284	3.6
263.09427	4.6
269.10767	5.2
315.16238	21.4
315.23380	5.2
333.13541	100.0
333.17307	39.2
333.20441	34.2
333.24219	25.5
333.28049	6.2
351.18509	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.6
57.07077	2.4
60.52256	1.7
67.05505	2.5
72.08154	2.0
79.05490	4.9
81.07060	8.2
87.04465	34.2
88.04790	13.5
93.07053	5.1
95.08598	8.5
97.10113	2.4
105.07080	3.1
107.08584	2.9
119.08566	3.2
121.06518	9.0
121.10094	3.8
131.48875	2.0
133.10222	2.7
135.08052	2.7
135.11708	2.5
149.09659	2.5
159.11659	2.2
161.13275	2.9
177.12743	12.7
239.81799	2.2
251.75247	2.1
261.22131	4.7
269.10513	8.2
271.28259	9.5
287.11761	3.5
289.21671	3.9
333.20306	100.0
333.24207	68.2
333.28296	15.9
333.31857	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.8
79.05491	1.0
91.05499	0.9
93.07040	1.3
94.91899	0.5
95.04918	0.6
95.08586	1.3
99.04478	1.1
105.07034	1.2
107.08619	1.2
109.10115	1.2
119.08540	0.9
121.06498	0.5
128.56129	0.5
133.10091	1.2
147.11668	0.8
207.09937	6.0
221.11467	0.9
289.61319	0.7
315.22800	0.7
316.26233	1.3
333.20322	100.0
333.28909	3.5
334.23462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17184	0.8
59.48884	0.8
88.03997	19.5
93.07028	1.1
95.08606	1.1
105.06998	1.4
119.21889	1.0
121.10108	1.3
131.08549	1.1
143.06847	1.0
149.13329	0.9
244.06871	1.0
269.10788	1.4
333.20328	100.0
333.27576	6.0
333.31268	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.6
58.45917	1.3
63.77371	1.2
66.30315	1.4
81.91349	1.3
117.35383	1.4
119.08588	1.3
127.67446	1.2
139.75014	1.4
175.52928	1.6
199.39565	1.6
209.40221	1.5
215.00415	1.6
315.23230	3.3
333.14001	3.2
333.20285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74039	0.6
67.05466	0.8
72.12022	0.7
91.05441	0.7
93.07007	1.1
93.46706	0.6
94.30616	0.7
105.07006	1.2
107.08560	1.3
145.10016	0.8
163.50621	0.8
191.27827	0.8
213.06725	2.5
226.07272	0.8
227.08267	0.9
315.19366	3.8
333.20328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87879	0.7
55.05525	1.2
57.03440	3.9
67.05521	1.2
69.07071	3.9
79.05490	4.1
81.03409	0.9
81.07064	4.4
91.05479	3.8
93.07043	4.5
95.08612	5.0
96.08987	1.2
97.06541	1.0
105.01784	1.0
105.07037	18.2
110.08548	0.8
110.43912	0.8
117.06985	3.4
119.08618	1.5
121.10097	1.3
131.08572	4.3
133.06436	0.9
133.10147	26.0
137.06023	0.9
143.36592	1.0
145.10136	1.2
147.11717	1.2
159.11731	2.2
171.11751	1.2
173.13243	5.9
185.13162	1.3
197.73730	0.9
227.23352	0.9
269.10748	2.2
269.13602	0.9
280.23535	1.5
297.26276	4.4
315.19455	6.2
333.20352	100.0
333.24203	21.5
352.08447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61916	2.0
55.05507	3.2
57.03432	9.9
65.33533	1.8
67.05502	4.0
69.07059	7.8
71.87121	1.8
78.81055	1.7
79.05490	8.2
79.55299	1.7
81.07044	12.3
83.04996	2.3
83.08607	3.0
91.05474	13.4
92.21497	2.4
93.07039	12.9
94.20792	2.1
95.08593	11.5
97.10160	3.0
105.07030	71.7
106.36966	1.9
107.08607	3.6
117.06998	15.5
119.08578	11.3
121.10127	8.9
129.07011	2.4
131.08566	14.0
133.10130	89.3
143.08629	3.0
145.10149	4.0
147.11676	4.7
159.11673	23.7
161.13246	3.3
171.11632	10.2
173.13272	19.8
185.13264	7.8
199.14789	3.8
203.70737	1.8
207.09865	2.9
259.20676	7.2
305.09299	3.5
315.19104	4.0
333.20316	100.0
333.24228	90.2
342.96127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
57.03434	2.7
67.05520	1.7
69.07087	1.5
76.73345	1.2
76.76565	1.4
79.05495	5.7
81.07057	5.1
91.05452	2.6
93.07022	5.1
95.08617	2.6
97.65348	1.3
105.07046	14.2
107.08582	6.7
109.06548	1.8
109.10198	1.6
117.07080	1.5
119.08580	8.2
121.10160	2.2
131.08609	5.1
133.10156	15.7
143.08531	1.3
147.11671	2.1
149.74071	1.2
159.11670	2.7
161.13208	1.5
173.13187	2.4
185.13275	1.4
259.20419	2.2
269.10562	1.4
316.26416	1.3
333.16583	9.3
333.20386	100.0
333.24139	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
51.14454	1.0
51.44611	1.2
55.05513	2.6
57.03450	15.5
57.07080	1.6
58.06901	1.1
59.51428	1.0
60.04523	1.9
64.34106	1.3
66.10181	1.1
67.05508	6.7
68.61880	1.0
69.07075	10.4
75.68977	1.2
79.05513	2.5
81.07050	8.0
91.05479	10.3
93.07055	11.7
95.08619	10.5
97.06521	1.6
97.10170	1.6
105.07035	67.3
107.08618	2.4
109.10149	1.4
117.07031	14.9
119.08570	10.0
121.10139	5.1
128.26025	1.4
129.07008	1.5
131.08586	11.7
133.10138	91.7
135.11635	1.7
137.06007	1.7
139.11180	1.4
143.08537	2.0
145.10144	5.4
147.08052	1.3
147.11700	5.6
148.21709	1.4
149.13206	1.7
157.10098	1.4
159.11682	27.0
163.63983	1.5
167.07109	1.9
171.11679	6.1
173.13248	17.3
185.13306	3.0
194.43828	1.5
199.14833	5.4
206.55139	1.6
241.19531	2.1
259.20566	8.3
280.23288	1.6
297.26309	1.9
311.10434	1.5
315.19702	2.3
315.23547	1.9
315.27286	3.1
333.20438	10.8
333.24274	100.0
355.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	17alpha,20alpha-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
53.00312	1.5
55.01883	1.6
55.05516	9.5
55.69830	1.2
57.07070	2.2
57.21248	1.5
57.39397	1.3
66.86874	1.3
67.05509	11.9
69.03413	2.1
69.07067	9.1
71.08632	32.6
79.05503	8.1
81.07069	23.8
87.04478	41.6
88.04797	14.2
91.05479	6.9
93.07034	18.5
95.04961	6.6
95.08588	15.5
97.06526	6.4
99.08095	22.4
105.07036	10.1
107.08604	17.3
109.06533	7.4
109.10167	3.3
119.08566	13.1
121.06505	54.7
121.10137	8.8
129.19543	1.5
131.08551	7.1
133.10123	10.1
135.08034	13.2
140.79190	1.6
143.08589	1.9
145.10133	3.9
147.08081	2.6
147.11682	2.0
149.09595	2.9
149.13226	2.0
151.11179	2.5
159.11658	4.0
161.09613	3.7
161.13307	2.8
163.11174	9.9
163.14847	1.8
165.12746	6.7
173.13234	3.6
177.12692	6.1
189.12718	2.6
191.14253	14.1
207.17473	3.0
211.52438	1.6
217.15866	1.9
231.17357	2.0
235.16888	7.2
271.39267	1.8
287.23758	2.2
305.24734	15.9
315.23199	27.5
319.64651	1.7
333.20306	33.5
333.24219	100.0
333.28329	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.242
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
55.05515	2.2
57.03448	13.0
60.20400	0.8
67.05505	2.3
68.65894	0.9
69.07069	9.6
79.05493	5.7
81.07057	6.8
83.08574	1.6
91.05476	11.0
93.07037	9.7
95.04951	1.2
95.08587	8.8
97.10163	3.7
104.07944	1.0
105.06325	2.1
105.07032	61.8
107.08566	1.8
115.80515	0.9
117.07008	11.4
119.08578	5.9
121.10127	5.5
129.06972	1.4
131.08575	12.1
133.10132	93.9
139.11330	0.9
143.08569	4.1
145.10149	2.1
147.11691	6.0
151.43408	0.9
157.10074	0.9
159.11678	28.7
171.11649	4.6
173.13246	19.3
185.13263	5.3
199.14842	5.5
208.30489	1.0
220.65581	1.0
221.93025	0.9
241.19495	5.4
259.20535	6.7
270.86087	0.9
284.22092	1.0
291.43607	1.0
333.20541	7.4
333.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2421
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
55.05518	1.9
57.03454	1.7
59.51588	1.8
67.05512	8.4
69.07063	3.2
71.05009	2.7
73.20219	1.7
77.75362	2.1
79.05496	4.6
81.07067	9.0
85.05765	1.7
85.06531	10.7
88.03300	2.1
91.05486	9.1
93.07056	19.6
95.04996	1.8
95.08608	12.3
97.06519	2.8
105.07043	20.1
107.08600	20.1
109.06526	3.4
109.10172	8.3
119.08575	15.1
121.06539	2.5
121.10139	11.6
131.08546	13.2
133.10110	17.7
135.11710	7.0
137.09546	2.1
143.08618	5.8
145.10129	38.1
147.11665	13.7
149.05981	3.2
155.08508	3.3
157.10097	13.2
159.11679	24.7
161.13318	2.9
162.59195	2.0
163.11195	4.0
169.10129	2.8
171.11679	9.2
173.13290	9.5
185.13187	4.5
187.14877	2.0
189.12750	2.2
195.11754	4.3
197.13251	12.3
199.14870	7.5
203.14330	3.8
209.01511	1.9
209.13257	4.0
211.14825	3.5
213.16441	15.2
215.14365	2.6
223.14931	4.0
225.02122	1.9
227.17957	9.9
237.16312	3.5
239.18018	3.3
241.15804	2.1
253.19460	17.3
255.17393	7.3
255.20895	3.3
258.79129	2.0
261.52161	1.9
279.21048	19.3
292.22809	7.2
297.18729	3.9
297.22134	100.0
315.19577	4.6
315.23175	97.4
333.20319	21.3
333.24265	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14454	1.0
51.44611	1.2
55.05513	2.6
57.03450	15.5
57.07080	1.6
58.06901	1.1
59.51428	1.0
60.04523	1.9
64.34106	1.3
66.10181	1.1
67.05508	6.7
68.61880	1.0
69.07075	10.4
75.68977	1.2
79.05513	2.5
81.07050	8.0
91.05479	10.3
93.07055	11.7
95.08619	10.5
97.06521	1.6
97.10170	1.6
105.07035	67.3
107.08618	2.4
109.10149	1.4
117.07031	14.9
119.08570	10.0
121.10139	5.1
128.26025	1.4
129.07008	1.5
131.08586	11.7
133.10138	91.7
135.11635	1.7
137.06007	1.7
139.11180	1.4
143.08537	2.0
145.10144	5.4
147.08052	1.3
147.11700	5.6
148.21709	1.4
149.13206	1.7
157.10098	1.4
159.11682	27.0
163.63983	1.5
167.07109	1.9
171.11679	6.1
173.13248	17.3
185.13306	3.0
194.43828	1.5
199.14833	5.4
206.55139	1.6
241.19531	2.1
259.20566	8.3
280.23288	1.6
297.26309	1.9
311.10434	1.5
315.19702	2.3
315.23547	1.9
315.27286	3.1
333.20438	10.8
333.24274	100.0
355.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2531
Annotation	Amisine
Peak:m/z	Relative Intensity
58.03836	1.2
58.06599	1.2
58.34683	1.3
66.41280	1.3
67.05506	9.8
67.77462	1.3
69.04542	1.8
69.07059	7.0
70.06599	1.4
79.05494	8.8
81.07090	11.1
82.06572	3.4
87.90430	1.4
91.05489	2.7
93.07043	10.3
94.06582	2.4
95.06116	1.8
95.08589	12.7
105.07014	1.4
105.94606	1.4
107.08610	6.4
108.08088	1.7
109.10165	5.8
110.09694	1.7
111.09198	2.3
119.08574	2.4
121.10170	1.8
122.09650	2.7
123.09183	2.1
131.08606	2.0
132.80981	1.4
133.10086	2.9
137.09714	1.4
137.10735	3.0
149.10701	2.3
154.45088	1.4
166.13678	1.7
200.38174	1.4
277.21533	1.8
306.24304	8.9
315.24268	8.1
315.27713	1.7
333.21289	3.8
333.25354	100.0
333.28635	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39365	0.3
52.09760	0.3
52.85613	0.3
55.17294	0.3
65.74604	0.3
67.95499	0.3
74.64883	0.3
75.57544	0.3
82.33354	0.3
92.21533	0.4
105.29648	0.3
117.41477	0.3
137.05960	1.9
147.04433	1.4
179.07045	0.5
195.41586	0.3
199.25008	0.4
225.92499	0.4
250.08501	0.5
274.10611	1.7
278.08307	0.4
291.05151	2.8
306.07611	35.9
319.10315	0.8
334.07092	100.0
334.12891	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.1
67.73080	0.2
99.48718	0.2
224.07057	0.3
248.06999	0.4
263.05753	0.3
278.08051	0.9
290.10172	0.4
291.05157	2.7
306.07590	40.7
318.09683	0.5
319.04578	0.3
319.10562	0.4
326.74832	0.2
334.07077	100.0
334.12671	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22009	0.3
56.46107	0.3
58.01351	0.3
84.04485	0.4
102.24787	0.4
121.06461	0.9
127.03929	0.6
128.52812	0.4
137.05954	0.9
159.09172	0.5
188.06985	0.9
195.66559	0.4
204.22963	0.3
278.08185	0.8
290.10452	0.8
291.05441	3.3
306.07571	41.2
316.12695	0.6
318.09784	0.9
319.10568	0.9
334.07047	100.0
334.12906	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0709
Annotation	N-Demethyloxysanguinarine
Peak:m/z	Relative Intensity
52.80693	0.2
57.18358	0.3
58.06602	0.3
59.29137	0.3
64.02020	0.3
73.84636	0.3
85.32382	0.3
91.05485	0.5
96.40786	0.3
119.04929	2.1
121.06471	2.3
137.05986	9.7
138.09120	0.5
146.84508	0.3
147.04419	6.3
149.08293	0.4
179.07008	3.9
197.08061	1.2
220.31407	0.3
259.08459	0.4
260.65695	0.3
272.27435	0.3
274.10791	2.4
276.06656	0.4
278.07861	1.2
288.12399	0.4
290.10156	0.6
291.05173	3.2
295.29272	0.3
306.07599	36.9
318.09753	0.7
319.10492	1.9
334.07071	100.0
334.12799	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0709
Annotation	N-Demethyloxysanguinarine
Peak:m/z	Relative Intensity
55.95065	0.7
60.04536	1.6
61.74611	0.7
67.05482	1.1
72.93523	0.8
77.94909	0.7
83.08613	0.8
101.67722	0.8
150.06308	0.8
195.37521	0.9
248.07028	6.9
260.07083	1.2
276.06531	8.6
278.08075	13.6
288.06564	9.5
290.08087	18.7
291.09210	1.0
302.08136	9.5
304.06030	24.3
305.06808	16.1
306.07584	100.0
318.07590	24.4
319.08362	40.6
332.05429	9.4
334.07019	83.7
334.10782	67.8
334.23563	44.3
334.29645	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22009	0.3
56.46107	0.3
58.01351	0.3
84.04485	0.4
102.24787	0.4
121.06461	0.9
127.03929	0.6
128.52812	0.4
137.05954	0.9
159.09172	0.5
188.06985	0.9
195.66559	0.4
204.22963	0.3
278.08185	0.8
290.10452	0.8
291.05441	3.3
306.07571	41.2
316.12695	0.6
318.09784	0.9
319.10568	0.9
334.07047	100.0
334.12906	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57749	1.1
59.22215	1.2
59.62939	1.1
110.72881	1.4
119.01900	10.3
131.48213	1.6
145.03513	5.9
169.03458	33.1
184.04596	1.6
185.02979	8.4
187.04521	38.7
197.03047	2.5
203.04028	1.8
205.05620	7.4
211.04694	1.6
215.04047	9.1
221.03064	2.8
229.05594	23.8
247.06578	10.4
248.53458	1.6
257.05029	3.3
272.01050	1.7
275.06094	100.0
293.04111	2.5
293.07190	20.5
295.05630	1.6
316.06076	1.9
317.18851	1.5
318.07581	2.1
319.08551	2.8
334.07312	93.0
334.10709	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21634	0.3
60.43739	0.3
69.27465	0.3
70.77554	0.3
89.91911	0.4
93.27737	0.4
133.89317	0.3
148.21509	0.3
154.15735	0.4
158.95667	0.3
183.98764	0.4
237.59081	0.4
273.07568	0.7
274.08517	0.4
276.06573	2.8
289.07242	0.4
290.08081	30.2
302.08099	12.0
304.06009	34.1
316.06100	1.3
318.07593	44.2
319.08365	56.1
322.10953	0.4
334.10706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19920	0.4
55.79527	0.5
77.94395	0.5
83.04128	0.5
92.29897	0.5
96.33215	0.6
142.75772	0.5
144.32993	0.5
209.51465	0.5
273.07785	1.2
276.06558	3.6
289.07593	0.8
290.08090	31.4
302.08078	10.1
302.11069	0.9
304.06055	30.5
304.09567	1.1
318.07611	43.2
319.08389	54.8
334.10730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1069
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
67.70007	0.4
73.34082	0.3
107.99255	0.4
111.89594	0.4
124.26384	0.4
142.71388	0.5
205.38921	0.4
276.06448	3.9
290.08112	32.3
302.08075	10.4
304.06033	31.5
304.09610	0.8
305.06818	0.6
316.06104	0.8
318.07608	45.8
319.08392	56.3
334.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47436	0.5
73.66419	0.6
79.38299	0.6
119.07637	0.6
198.99002	0.8
256.09827	0.7
273.07785	1.3
276.06625	3.4
290.08109	25.9
290.11301	1.0
302.08020	11.2
304.06033	29.4
304.09537	1.1
316.06216	0.8
318.03888	1.6
318.07599	49.1
319.08386	55.1
334.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.107
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
59.97444	0.5
60.28853	0.6
63.43758	0.6
69.03194	0.5
82.10270	0.7
91.70373	0.5
92.20957	0.7
102.14160	0.7
104.63846	0.6
104.80189	0.6
213.72525	0.7
244.52402	0.7
263.09390	3.1
264.45770	0.7
273.07806	0.7
276.06693	2.5
290.08093	24.5
291.08853	1.2
302.08072	9.8
304.06021	21.2
318.07608	37.6
319.04605	1.3
319.08374	42.9
334.10730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18600	0.2
61.29657	0.3
71.99866	0.2
77.93816	0.3
80.29633	0.2
124.20850	0.3
144.24643	0.4
190.55501	0.3
261.25565	0.3
273.07819	0.6
276.06573	2.8
290.08102	28.4
302.08096	9.8
303.08832	0.4
304.06027	32.7
316.05917	0.4
318.07611	42.0
319.08386	52.3
334.10730	100.0
351.55652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65186	0.3
56.82817	0.3
80.03150	0.4
90.51291	0.3
112.90214	0.3
175.44736	0.3
223.69597	0.4
257.69806	0.4
273.07855	0.6
276.06381	3.1
290.08096	26.8
302.08084	9.3
304.06021	29.1
316.05960	0.6
318.07599	40.7
319.08383	49.7
334.10718	100.0
353.35004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1069
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
51.31616	0.3
55.83508	0.4
58.06591	2.9
61.02086	0.4
66.45858	0.4
70.06578	0.7
70.69228	0.4
73.46487	0.4
84.08104	0.5
86.09702	6.3
86.31652	0.5
99.37630	0.4
101.14428	0.4
112.23815	0.4
115.44820	0.4
127.33858	0.5
137.05928	0.7
150.05765	0.5
157.13350	2.7
181.05005	0.5
185.12657	0.6
194.97414	0.5
235.53355	0.5
273.07794	0.7
276.06638	3.6
290.08078	30.7
290.11343	1.0
302.08099	10.7
304.06018	33.9
306.07489	5.0
309.96860	0.5
318.07596	49.1
319.08371	55.9
334.07056	12.0
334.10641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18575	0.4
57.08372	0.4
58.76250	0.4
99.66183	0.5
121.00815	0.5
164.18726	0.5
253.33626	0.6
263.09439	2.7
273.07660	0.8
276.06494	3.4
284.84799	0.6
290.08124	23.7
302.08170	8.7
304.06027	25.0
318.07617	35.4
319.04593	1.1
319.08386	44.4
334.10727	100.0
351.29669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12729	0.3
58.30225	0.3
69.54903	0.3
69.63364	0.3
70.57278	0.3
75.72851	0.2
75.88559	0.2
105.61051	0.3
158.29430	0.3
177.37564	0.3
178.08614	0.4
203.28433	0.3
229.13756	0.3
263.09378	10.6
276.06537	1.4
290.04990	0.4
290.08099	10.3
291.08893	5.1
302.08112	4.1
304.06024	11.8
304.09293	0.6
306.07626	1.6
306.68298	0.3
316.06113	0.4
318.07590	16.1
319.08377	20.1
320.08981	0.6
334.10721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75550	0.6
54.06499	0.6
54.45395	0.7
55.20932	0.7
55.46031	0.7
57.03728	0.7
61.27934	0.6
71.57755	0.6
126.16267	0.7
157.84688	0.7
167.97099	0.8
218.98029	0.8
251.58641	0.9
273.07697	0.8
276.06522	2.9
290.08130	25.4
302.08063	9.9
304.06036	28.1
316.06326	1.1
318.07602	47.8
319.04602	1.6
319.08398	57.8
334.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87786	0.6
70.16684	0.7
72.07458	0.7
81.76707	0.7
94.52142	0.7
100.75694	0.7
100.95068	0.7
108.73841	0.6
153.85913	0.7
190.91557	0.8
203.07703	0.7
255.61505	0.7
273.07889	1.4
276.06519	4.2
290.08090	30.8
302.08151	10.8
304.05988	33.0
318.07584	45.5
319.04611	1.7
319.08380	54.1
334.10727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88522	0.2
53.80946	0.2
58.06607	4.3
61.14748	0.2
63.62134	0.2
65.57343	0.2
70.06630	0.4
78.59274	0.2
95.59289	0.3
110.56987	0.2
121.06591	1.5
122.06871	0.6
123.47118	0.3
137.06012	0.4
183.11925	0.3
190.80663	0.3
198.51692	0.3
200.85962	0.3
245.67783	0.3
257.09915	0.4
271.13330	0.4
273.07736	0.7
276.06531	2.7
289.07550	0.4
290.08093	29.1
299.11163	0.3
302.08136	10.7
304.06018	32.5
305.06870	0.6
306.07800	1.4
307.50662	0.3
316.05872	0.4
318.07599	46.0
319.08383	54.5
326.51703	0.3
334.07364	4.0
334.10709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1074
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
52.65395	0.7
61.66375	0.6
62.96847	0.7
85.49098	0.7
92.21210	4.1
118.73283	0.7
212.84297	0.7
227.09766	0.7
250.93396	0.8
270.79791	0.7
276.06558	3.3
290.08090	27.8
302.08063	10.3
304.06027	27.4
316.06125	1.7
318.07614	46.3
319.08386	47.6
334.10730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56590	0.7
79.61495	0.6
81.67321	0.6
86.24709	0.6
91.91067	0.6
102.02938	0.6
106.96154	0.7
123.28482	0.8
131.35901	0.7
153.23314	0.6
206.25989	0.7
215.02104	0.7
273.07800	1.4
276.06625	3.2
290.08069	30.3
290.11346	1.0
300.54218	0.7
302.08096	12.5
304.03391	0.6
304.06027	34.1
318.07590	44.1
319.08380	58.8
334.10715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.9
63.09658	0.4
70.15133	0.4
82.60724	0.4
137.06010	0.6
181.04973	0.8
252.06474	0.5
273.07813	1.9
276.06335	3.3
278.08377	0.7
289.07364	0.6
290.08081	26.5
291.05356	1.6
302.08075	10.9
304.06012	32.5
306.07590	28.9
318.07596	45.6
319.08374	57.8
334.07065	74.0
334.10800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86090	0.4
56.56086	0.4
71.02827	0.5
81.09650	0.5
91.25912	0.5
92.09467	0.6
96.67992	0.5
123.87288	0.6
139.66579	0.6
152.70964	0.6
273.07892	1.1
276.06674	2.7
290.08096	27.3
302.08057	9.8
304.06027	29.2
304.09537	1.0
318.03824	1.0
318.07608	42.9
319.08383	49.2
334.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27132	0.7
50.30230	0.6
50.40712	0.6
55.01633	0.7
56.70234	0.6
67.82605	0.6
83.42416	0.7
86.39740	0.7
95.88782	0.6
120.04303	0.8
120.46841	0.7
123.05611	0.7
124.18372	0.7
133.52977	0.7
162.59685	0.8
164.40707	0.7
166.91225	0.8
171.13649	0.8
273.07819	0.9
276.06589	4.6
289.07059	1.1
290.08054	28.1
291.08698	1.0
302.08148	12.3
304.06033	32.2
318.03821	1.6
318.07614	46.7
319.04639	1.7
319.08386	51.1
334.10736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63068	0.6
65.76662	0.5
67.32540	0.5
75.87061	0.7
111.63319	0.7
130.30824	0.6
150.85393	0.7
202.76212	0.6
264.21017	0.7
276.06573	2.5
290.08118	27.4
295.08838	0.6
302.08075	10.1
304.06024	29.8
316.05954	0.8
318.07611	43.2
319.08392	51.4
334.10718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63068	0.6
65.76662	0.5
67.32540	0.5
75.87061	0.7
111.63319	0.7
130.30824	0.6
150.85393	0.7
202.76212	0.6
264.21017	0.7
276.06573	2.5
290.08118	27.4
295.08838	0.6
302.08075	10.1
304.06024	29.8
316.05954	0.8
318.07611	43.2
319.08392	51.4
334.10718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31616	0.3
55.83508	0.4
58.06591	2.9
61.02086	0.4
66.45858	0.4
70.06578	0.7
70.69228	0.4
73.46487	0.4
84.08104	0.5
86.09702	6.3
86.31652	0.5
99.37630	0.4
101.14428	0.4
112.23815	0.4
115.44820	0.4
127.33858	0.5
137.05928	0.7
150.05765	0.5
157.13350	2.7
181.05005	0.5
185.12657	0.6
194.97414	0.5
235.53355	0.5
273.07794	0.7
276.06638	3.6
290.08078	30.7
290.11343	1.0
302.08099	10.7
304.06018	33.9
306.07489	5.0
309.96860	0.5
318.07596	49.1
319.08371	55.9
334.07056	12.0
334.10641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1072
Annotation	Norchelerythrine
Peak:m/z	Relative Intensity
53.64550	0.6
61.41061	0.8
61.66960	0.7
90.35742	0.7
125.73085	0.8
135.55579	0.8
185.44678	0.8
258.47968	0.8
266.91666	0.9
273.07602	1.6
276.06485	4.8
290.08124	27.8
297.99005	0.8
302.08090	10.2
304.06015	32.5
316.06113	1.2
318.03806	1.6
318.07587	49.0
319.08389	57.3
334.10715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42835	0.9
58.06600	7.3
61.02928	2.5
63.15232	1.0
65.13973	1.1
69.03435	5.6
70.06602	1.9
73.02924	1.4
74.06100	1.3
81.03413	1.2
84.08105	1.5
85.02913	28.8
86.09705	1.2
87.04479	2.5
91.05468	4.7
97.02866	8.6
98.06090	1.5
103.51903	1.4
109.02889	2.7
109.47658	1.0
119.04941	2.7
121.06502	1.8
124.53294	1.2
127.03905	5.2
129.10257	1.2
129.64755	1.4
134.08128	1.1
137.05983	100.0
145.04982	7.2
151.07556	2.1
152.53352	1.3
155.07059	11.2
172.04337	1.5
180.08681	5.7
201.12430	1.1
214.87881	1.2
263.09210	1.2
316.14224	1.2
317.12619	1.4
334.13235	2.6
334.19965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27755	0.3
51.58685	0.4
53.03951	0.5
54.96814	0.4
57.03436	1.1
58.06621	0.4
61.02919	2.9
69.03429	4.9
71.04990	0.7
71.60599	0.4
73.02900	0.5
81.03403	2.0
85.02904	28.7
87.04457	0.7
90.06418	0.5
91.03933	1.0
91.05476	3.7
97.02895	7.5
99.04465	1.6
99.44173	0.4
109.02857	1.8
119.04909	3.1
127.03922	7.0
133.21686	0.5
137.05974	100.0
145.04950	6.6
149.06003	0.7
151.07564	2.3
155.07027	10.0
161.05952	0.6
163.06027	1.9
172.07561	9.7
175.07521	0.7
179.07039	3.3
180.08659	2.8
197.06363	0.4
203.06973	1.9
219.91129	0.4
221.08133	1.8
245.07982	0.7
263.09088	2.5
281.10202	1.9
299.11313	0.6
299.23257	0.5
317.12628	0.6
334.12341	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
56.20042	1.0
58.06602	6.1
61.44703	1.3
69.03419	1.3
70.06606	1.8
74.06077	1.5
79.36612	1.2
85.02908	30.6
86.09731	1.8
87.04507	2.0
91.05475	2.6
97.02908	5.3
109.02939	1.8
119.04975	2.4
121.06497	5.3
123.04423	2.0
127.03902	8.4
127.05248	1.3
137.05981	100.0
145.04988	5.8
155.06984	11.1
179.07010	1.3
180.08694	5.9
192.70372	1.3
263.09192	1.5
305.99661	1.3
334.13339	6.6
338.74127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
61.01687	1.8
67.32186	1.9
70.40900	1.8
87.12025	1.9
103.74791	2.1
126.76581	2.5
143.32082	2.2
156.98091	2.1
244.85902	2.0
263.98026	2.3
280.26340	2.3
290.08127	12.7
300.01932	1.9
302.08157	4.4
304.06149	11.2
318.07651	20.8
319.08371	28.3
334.10672	37.7
334.21402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2349
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
52.41978	0.5
58.94957	0.5
61.22298	0.4
61.45110	0.5
63.91836	0.4
68.44920	0.6
75.89221	0.6
76.25748	0.4
87.15833	0.6
94.96135	0.5
95.08607	0.6
109.10175	0.5
121.39302	0.5
154.27664	0.6
158.92371	0.6
176.67470	0.6
180.19170	0.5
194.11670	0.7
210.30492	0.6
242.24728	2.0
286.27328	0.7
290.08151	6.5
302.08167	3.2
304.06076	8.2
318.07559	9.8
319.08392	13.0
327.76572	0.6
334.07120	1.3
334.10712	23.1
334.23541	100.0
334.29196	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2348
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
60.69810	1.0
62.13387	1.0
82.59339	1.1
182.49103	1.2
206.11536	5.7
273.53625	1.1
273.57043	1.2
276.89059	1.2
318.07483	2.0
319.08359	4.8
334.10544	2.9
334.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37428	0.6
93.07002	0.9
131.20471	0.7
198.66057	0.7
220.13106	1.0
276.06604	2.7
289.16043	0.7
290.08099	11.0
302.08096	3.3
304.06058	11.8
318.07614	17.1
319.08398	23.0
334.07059	4.4
334.10712	45.0
334.23566	100.0
339.48825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
60.86441	0.8
105.07029	4.0
107.93762	0.9
120.34296	0.7
126.16050	0.9
127.98562	0.9
133.10155	1.1
190.46069	0.7
224.12593	1.3
229.14658	1.1
282.79401	0.9
290.08127	5.2
302.08234	1.2
304.06061	6.1
318.07663	10.6
319.08353	11.9
334.10690	20.1
334.23596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14248	0.6
59.50937	0.7
63.55472	0.7
67.01108	0.7
68.40867	0.7
68.87892	0.7
88.78709	0.8
106.60345	0.9
115.87696	0.9
203.54680	0.9
221.82137	0.8
224.12592	4.9
290.08121	4.1
302.08014	1.2
304.06046	5.3
318.07507	7.2
319.08463	10.8
326.37296	0.9
334.10696	20.0
334.23523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75239	2.6
55.05514	18.7
57.07079	18.1
67.05508	31.3
69.07066	35.0
71.08622	5.1
74.33597	2.9
81.07061	44.7
83.08615	32.4
83.49081	4.0
86.06086	6.6
91.05487	6.2
91.25405	3.1
93.07025	6.5
95.08621	66.2
97.06525	4.1
97.10177	22.2
100.07605	5.9
105.07019	6.5
107.08604	7.8
109.10140	34.8
111.11678	3.4
114.09169	6.1
118.09633	2.8
119.08574	5.4
121.10184	7.7
123.11671	13.4
125.09654	4.2
128.10753	3.8
133.10146	12.8
135.11699	7.6
137.13292	4.7
142.12300	3.6
147.11726	8.2
149.13269	5.3
151.11240	3.1
161.13242	5.6
163.14876	3.9
165.16353	4.9
175.14845	4.5
197.82219	3.6
242.24850	6.7
245.22708	26.9
263.23730	48.3
280.26318	96.8
290.08020	24.1
302.08261	5.2
304.05936	25.9
314.20932	4.9
316.24045	17.8
318.07520	41.5
319.08401	40.2
334.10754	100.0
334.29471	17.2
352.20370	3.7
355.89929	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51221	2.2
52.37005	1.8
55.05521	21.5
57.07088	19.7
67.05510	33.7
69.07079	38.4
71.08631	11.4
75.96444	2.3
79.05495	4.6
81.07058	49.6
83.08620	34.3
84.08154	4.3
86.06071	8.7
91.05492	5.0
93.07043	17.4
95.08609	53.1
97.10175	18.8
100.07628	5.3
105.07030	8.7
107.08585	17.0
109.10159	41.9
111.11709	4.0
112.07579	2.3
114.09163	3.4
119.08587	14.2
121.10165	14.2
123.11729	11.5
126.09087	3.2
128.10753	2.8
128.62946	2.4
133.10135	19.0
135.11696	5.4
137.09644	5.0
137.13274	4.2
147.11742	17.8
147.12723	2.4
149.13289	3.8
151.11121	3.0
161.13225	11.4
162.82838	2.6
165.16376	4.7
175.14882	6.0
179.17981	2.9
184.16875	2.6
189.16316	3.4
200.15758	2.5
245.22697	19.6
263.23633	40.6
280.23392	4.6
280.26349	100.0
290.08151	18.1
299.26178	2.6
304.06049	18.7
316.23804	17.3
318.07574	31.1
319.08386	46.8
334.10724	71.6
334.23975	4.8
334.29617	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05506	1.7
62.75448	1.1
67.05484	2.5
69.07052	3.1
69.80690	1.3
71.08640	12.2
72.04526	46.9
79.05441	2.4
81.07034	8.3
85.06515	1.3
86.89546	1.3
88.07626	1.9
91.05457	1.8
93.07016	8.2
95.04922	1.9
95.08617	12.7
97.06493	3.0
99.08060	2.4
105.07007	3.0
107.08556	9.2
109.06493	6.0
109.10152	4.5
114.09180	12.8
118.82675	1.4
119.08514	2.4
123.07983	2.0
128.10733	1.9
130.79344	1.4
131.08560	1.7
133.10094	5.9
135.08020	1.8
142.12273	2.0
145.10088	1.9
147.11586	2.2
149.13219	2.0
153.56064	1.3
154.12288	1.7
165.12747	77.6
173.13245	3.1
174.94806	1.4
175.11163	1.9
179.14200	1.8
182.15289	8.6
191.14252	3.2
212.16420	3.1
220.16963	5.5
236.20084	21.6
242.24701	6.4
271.20547	5.2
289.21719	2.6
290.08029	11.7
302.08014	2.4
304.06021	13.1
316.26251	7.2
318.07623	16.5
319.08380	23.9
334.06924	2.1
334.10757	49.3
334.21259	33.2
334.27246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64367	1.1
55.05546	1.1
56.18761	1.2
61.82439	1.1
63.18476	1.1
64.98997	1.1
67.86182	1.1
68.47975	1.3
69.07050	2.2
71.08632	3.0
72.04525	14.7
79.05550	1.2
81.01928	3.1
81.07059	2.9
88.07628	2.5
93.07038	5.2
95.08598	4.7
107.08614	5.9
109.06509	3.0
114.09137	2.5
119.08526	1.6
120.79493	1.2
122.92075	1.4
133.10130	1.7
165.12743	39.6
182.15450	2.6
191.14326	1.7
216.44302	1.4
216.49780	1.5
220.16924	2.0
236.20135	9.3
242.24803	10.3
251.11716	1.3
288.19302	12.3
290.08304	3.0
304.05994	6.7
314.56384	1.3
316.26218	2.4
318.07535	8.0
319.08365	11.9
334.10733	22.5
334.23773	100.0
334.27435	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.5
56.61504	0.6
57.07077	1.6
58.06616	5.4
60.04539	1.0
67.94107	0.6
69.96989	0.6
71.08620	1.1
74.06064	4.5
86.06065	5.4
88.07637	16.7
95.71098	0.8
100.07630	0.9
104.07118	4.0
117.17194	0.9
132.10184	5.1
162.11253	1.5
166.10777	3.2
174.31589	0.7
207.09660	0.7
223.54770	0.7
242.24783	43.0
248.87177	0.7
286.27386	16.8
314.15097	0.8
316.28503	1.2
334.29517	100.0
343.19412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73244	0.9
54.60038	0.9
54.77649	0.9
57.07068	1.5
58.06589	1.4
60.04523	1.1
70.06589	12.0
72.08157	1.4
81.07051	1.6
82.60645	1.2
84.08131	1.6
86.09717	1.6
88.07621	2.6
94.28296	1.1
111.11668	1.1
113.71189	1.1
116.07500	1.2
123.01064	1.0
127.62659	1.1
132.10179	11.6
132.86099	1.1
145.22876	1.1
146.11769	11.8
184.20566	4.5
228.23267	4.9
272.25815	75.1
276.06668	1.7
286.27472	2.2
290.08032	16.4
302.08160	7.5
304.06061	18.9
306.07672	4.5
316.22482	1.4
316.27585	1.3
318.07639	28.4
319.08386	43.0
334.07083	5.0
334.10709	68.2
334.19528	2.3
334.23505	63.0
334.29480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.5
58.06617	0.5
59.63829	0.5
69.18133	0.5
70.06598	10.8
71.08628	0.8
72.08151	1.0
84.08133	1.0
85.10186	1.0
86.09698	1.2
88.07628	6.5
89.06009	0.6
89.88422	0.6
95.18291	0.7
102.09184	3.2
114.09206	0.6
114.21134	0.6
132.10214	12.1
136.68233	0.6
146.11765	13.0
184.20613	4.1
186.45782	0.8
210.22188	1.0
228.23213	20.6
234.06926	0.7
272.25830	60.7
290.04941	0.6
290.08145	3.8
302.08099	1.0
304.06042	6.0
316.22476	3.1
316.28342	2.5
318.07520	8.8
319.08371	13.4
334.06885	1.4
334.10739	21.6
334.23502	87.5
334.29498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.5
58.06617	0.5
59.63829	0.5
69.18133	0.5
70.06598	10.8
71.08628	0.8
72.08151	1.0
84.08133	1.0
85.10186	1.0
86.09698	1.2
88.07628	6.5
89.06009	0.6
89.88422	0.6
95.18291	0.7
102.09184	3.2
114.09206	0.6
114.21134	0.6
132.10214	12.1
136.68233	0.6
146.11765	13.0
184.20613	4.1
186.45782	0.8
210.22188	1.0
228.23213	20.6
234.06926	0.7
272.25830	60.7
290.04941	0.6
290.08145	3.8
302.08099	1.0
304.06042	6.0
316.22476	3.1
316.28342	2.5
318.07520	8.8
319.08371	13.4
334.06885	1.4
334.10739	21.6
334.23502	87.5
334.29498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97215	2.8
73.96604	2.7
79.56306	2.8
105.60932	3.1
119.01890	5.5
133.03473	15.3
139.29565	3.2
145.03467	15.7
151.04466	4.3
163.04501	16.9
171.05000	3.9
175.04500	46.7
184.54916	3.2
187.04555	4.1
193.05583	5.3
201.06039	34.8
217.09149	6.2
218.92294	16.4
219.07146	6.4
231.07225	13.0
243.03529	4.6
248.93353	4.5
249.08183	11.8
253.23633	3.3
260.11972	3.4
261.08157	5.7
275.05981	5.4
291.09195	12.3
335.07196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.076
Annotation	5,5'-Dehydrodivanillate
Peak:m/z	Relative Intensity
53.03948	0.6
58.06600	1.1
59.70277	0.6
60.99369	0.8
61.12781	0.7
62.88129	0.8
79.79700	0.8
86.71739	0.8
89.72111	0.7
101.18493	0.8
102.50937	0.7
108.04455	1.6
109.05283	0.8
123.04462	1.2
137.02344	100.0
137.03308	3.8
137.05927	1.2
146.05968	1.3
148.03944	6.6
150.05716	0.9
151.03908	14.6
152.07069	1.9
177.79826	0.9
179.03357	1.2
197.05943	9.1
215.07098	1.9
225.05455	6.6
243.06480	6.6
249.12199	0.8
253.04955	16.6
257.04340	1.5
259.10818	4.3
271.06000	60.9
275.10941	1.3
277.11807	1.1
289.07028	28.3
300.85883	0.8
304.88763	0.8
307.07816	5.9
317.06552	47.5
320.35184	0.9
335.07501	33.8
335.12466	16.1
335.16153	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	2.9
63.78625	2.1
72.04495	3.1
80.81614	2.5
92.20985	2.8
99.04443	2.7
121.06492	3.7
122.05997	3.8
142.08659	5.0
184.07625	10.2
186.09155	3.2
198.09186	10.0
200.07037	15.2
201.10146	5.9
212.06975	3.4
214.08691	3.6
215.11824	12.7
217.09743	19.0
226.08676	3.1
228.06519	4.1
229.09703	76.1
243.11293	44.9
245.09184	94.6
253.09637	12.6
254.08408	2.8
257.09189	13.3
259.10806	12.1
271.10770	100.0
281.09262	21.3
287.10266	42.7
289.11801	11.3
299.10220	40.0
305.11362	18.6
307.07596	2.8
317.11292	36.3
335.07504	12.7
335.12405	53.2
335.15625	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.7
55.05516	3.5
59.10355	2.3
59.48589	2.4
61.19957	2.3
62.81017	2.4
63.21096	2.3
69.03419	5.8
72.04476	2.8
81.03421	10.6
83.04984	4.4
85.02914	15.8
92.08330	2.4
99.04458	52.8
109.02888	4.2
121.06499	11.3
122.06087	4.9
127.03893	5.4
136.07565	6.4
148.29361	2.5
160.07564	3.3
164.07086	13.1
172.07550	3.3
175.08585	2.6
181.10129	2.8
184.07591	4.6
186.09254	9.9
198.09174	5.2
200.07121	6.0
201.10287	6.0
214.08615	12.7
215.11853	21.8
217.07083	5.5
217.09726	12.1
226.08768	4.8
227.08154	5.9
228.06615	3.2
229.09712	39.7
230.10431	3.1
231.11362	4.3
239.08118	3.4
242.08165	3.7
242.10492	10.4
243.11275	79.0
245.09212	52.7
253.36638	2.8
257.09186	14.4
258.10019	14.3
259.10754	15.5
270.56149	2.9
271.10739	100.0
271.13525	4.8
276.60486	3.4
281.09195	3.7
287.10211	26.6
289.11893	25.5
299.10263	30.6
299.13541	4.9
305.11295	22.6
317.11377	33.4
335.12354	77.4
335.16483	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17323	0.6
55.01874	0.8
58.04335	0.7
61.02921	4.9
69.03420	6.0
69.31194	0.7
70.03748	1.4
71.04961	0.7
73.02922	0.8
81.03410	2.0
82.03773	0.9
85.02906	34.7
86.03226	10.2
86.60891	0.8
91.03954	3.2
91.05476	3.9
92.05814	3.2
94.88332	0.8
95.04419	0.9
97.02885	9.5
98.03214	4.8
99.04471	1.3
119.04967	3.7
120.05300	3.5
120.08105	1.2
127.03932	7.5
128.04269	1.6
137.05980	80.2
138.06313	100.0
138.09142	4.2
145.04939	5.6
146.05324	3.8
149.03171	0.8
155.07065	6.1
156.07393	9.7
156.10197	17.6
179.07085	1.5
180.07297	1.6
180.08690	6.1
181.09016	4.9
181.10730	0.8
204.07426	1.0
218.89070	0.9
219.01807	0.8
222.01501	0.8
264.09464	2.0
282.10501	2.0
318.12601	1.6
335.15439	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17323	0.6
55.01874	0.8
58.04335	0.7
61.02921	4.9
69.03420	6.0
69.31194	0.7
70.03748	1.4
71.04961	0.7
73.02922	0.8
81.03410	2.0
82.03773	0.9
85.02906	34.7
86.03226	10.2
86.60891	0.8
91.03954	3.2
91.05476	3.9
92.05814	3.2
94.88332	0.8
95.04419	0.9
97.02885	9.5
98.03214	4.8
99.04471	1.3
119.04967	3.7
120.05300	3.5
120.08105	1.2
127.03932	7.5
128.04269	1.6
137.05980	80.2
138.06313	100.0
138.09142	4.2
145.04939	5.6
146.05324	3.8
149.03171	0.8
155.07065	6.1
156.07393	9.7
156.10197	17.6
179.07085	1.5
180.07297	1.6
180.08690	6.1
181.09016	4.9
181.10730	0.8
204.07426	1.0
218.89070	0.9
219.01807	0.8
222.01501	0.8
264.09464	2.0
282.10501	2.0
318.12601	1.6
335.15439	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17323	0.6
55.01874	0.8
58.04335	0.7
61.02921	4.9
69.03420	6.0
69.31194	0.7
70.03748	1.4
71.04961	0.7
73.02922	0.8
81.03410	2.0
82.03773	0.9
85.02906	34.7
86.03226	10.2
86.60891	0.8
91.03954	3.2
91.05476	3.9
92.05814	3.2
94.88332	0.8
95.04419	0.9
97.02885	9.5
98.03214	4.8
99.04471	1.3
119.04967	3.7
120.05300	3.5
120.08105	1.2
127.03932	7.5
128.04269	1.6
137.05980	80.2
138.06313	100.0
138.09142	4.2
145.04939	5.6
146.05324	3.8
149.03171	0.8
155.07065	6.1
156.07393	9.7
156.10197	17.6
179.07085	1.5
180.07297	1.6
180.08690	6.1
181.09016	4.9
181.10730	0.8
204.07426	1.0
218.89070	0.9
219.01807	0.8
222.01501	0.8
264.09464	2.0
282.10501	2.0
318.12601	1.6
335.15439	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1746
Annotation	Strychnine
Peak:m/z	Relative Intensity
55.01870	1.7
58.06606	1.7
60.47491	1.4
70.62911	1.3
86.06068	60.6
98.06055	100.0
115.08688	88.5
125.07103	11.5
130.08621	7.1
137.05981	9.8
138.06343	9.6
142.08606	2.2
146.06239	1.7
148.09685	9.4
164.01547	1.7
210.90744	1.5
227.13901	45.5
245.14920	15.7
259.18994	1.6
335.17453	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91934	0.4
50.92202	0.5
60.04520	0.8
65.84212	0.5
72.85954	0.5
79.05492	1.3
84.08130	1.2
85.02922	5.9
86.03257	0.8
93.05784	0.5
93.07053	3.9
97.02927	0.6
120.08105	8.7
121.08927	4.1
127.03954	1.0
131.15765	0.5
137.05994	6.4
138.06339	5.0
138.09160	22.9
139.98125	0.5
155.07112	0.6
156.10204	100.0
172.07626	0.6
185.93208	0.6
289.11816	0.6
335.12857	2.4
335.18015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77251	1.4
55.05514	3.2
57.03443	3.2
62.41011	1.5
62.77759	1.2
66.84493	1.4
67.05514	20.4
69.07064	2.7
71.45139	1.4
78.94610	1.4
79.05480	11.3
80.28954	1.4
81.07060	17.9
83.08614	1.5
86.65490	1.5
91.05466	3.4
93.07047	16.3
95.08607	19.7
97.96803	1.3
98.98469	2.8
105.06986	1.6
107.08601	6.8
109.10142	6.4
116.93542	1.4
121.10098	6.0
131.08549	2.2
135.11670	3.0
149.52467	1.7
190.04973	1.7
205.49106	1.8
291.08456	9.9
303.08545	2.0
305.06345	11.3
319.08072	17.7
320.08734	24.3
335.07281	2.4
335.11124	47.4
335.21857	100.0
335.25781	41.1
351.16437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34519	0.6
55.05507	0.6
55.93058	0.6
57.03418	1.0
58.57456	0.7
67.05497	1.1
67.39040	0.6
70.85139	0.6
81.07052	1.6
81.14084	0.7
93.07022	0.9
95.08601	1.7
107.08609	1.1
109.10105	0.9
121.10117	0.8
196.02895	0.8
238.83118	0.8
286.07498	0.8
289.06900	1.0
291.08408	1.5
298.07617	1.5
305.06219	1.4
306.07404	3.1
307.07938	5.1
313.08389	1.0
319.07867	4.8
320.05673	1.9
320.08798	6.3
335.07623	7.3
335.11267	9.3
335.21817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
56.41402	0.8
67.05495	0.9
68.12518	0.9
150.16766	0.9
167.38161	1.1
171.26250	1.2
275.00851	1.1
277.64398	1.1
290.33990	1.0
317.20468	1.0
335.07605	1.1
335.11151	1.6
335.21902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.03441	0.8
57.07076	4.6
67.05509	6.0
69.03426	2.0
69.07071	8.6
79.05526	3.2
79.57696	0.8
81.07056	16.1
81.48991	0.8
83.05004	1.0
83.08618	3.9
87.06330	0.8
88.07647	1.4
91.05470	1.5
93.07063	10.9
95.08609	13.9
97.06512	0.9
97.10180	2.0
105.07018	12.1
107.08591	11.2
109.06525	13.8
109.10158	6.4
119.08544	8.0
121.06522	5.7
121.10139	6.0
123.08083	5.2
123.11712	3.8
131.08588	2.2
133.10141	7.3
135.08060	5.1
135.11742	7.5
137.13275	1.7
145.10129	4.6
147.11687	10.4
149.09657	1.1
149.13237	7.2
151.11142	1.9
153.12698	0.9
159.11703	5.3
161.13264	5.9
163.11156	4.7
163.14842	1.7
165.12784	11.8
172.98750	0.9
173.13284	1.6
175.14859	1.4
177.12735	5.8
187.14775	1.1
189.16487	1.4
191.14348	1.6
191.17931	1.3
201.16324	1.4
243.25107	6.0
271.24136	3.2
287.27823	1.5
289.25266	23.6
305.06305	1.4
317.24734	100.0
319.07898	1.5
320.08734	3.7
335.11304	7.1
335.21890	95.6
335.25815	28.7
335.29907	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17505	1.6
55.05518	2.0
57.03438	4.0
67.05508	16.6
69.07074	2.8
72.04528	3.4
79.05475	3.7
81.07072	16.7
83.04973	1.7
83.08607	2.1
86.10673	2.0
91.05463	3.4
92.21077	4.2
93.07045	9.3
95.08614	18.5
105.07011	3.1
106.33374	1.6
107.08595	9.1
109.06531	3.2
109.10151	3.7
119.08646	2.9
121.10128	8.0
131.08571	2.1
133.10110	2.6
135.11693	2.4
137.05981	2.2
145.10153	2.2
147.11700	2.7
149.13356	2.0
158.66396	1.7
159.11641	1.9
165.12712	3.7
166.13065	2.1
172.47038	1.5
199.09604	2.0
222.85185	1.7
223.71941	1.8
305.06351	4.2
317.20880	3.8
319.08044	4.2
320.08801	11.1
335.10995	13.1
335.21960	100.0
335.25906	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
51.31002	1.6
55.05516	3.7
67.05510	4.3
69.07065	13.3
71.08598	3.2
79.05494	3.6
81.07067	11.2
83.08617	3.2
84.79804	2.4
89.81245	2.1
93.07053	7.8
95.04986	7.7
95.08618	9.9
97.10199	2.8
99.08117	2.3
105.07116	7.6
107.08571	4.3
109.06533	28.1
109.10210	3.4
119.08589	11.2
121.06535	3.2
121.10176	4.5
121.60917	2.1
123.08033	3.1
133.10170	4.3
135.08112	3.0
135.11693	3.9
147.11702	3.8
156.58600	2.2
163.11160	4.7
165.12747	91.0
176.98700	2.1
177.12701	4.6
179.14206	2.6
181.10190	2.5
278.41873	2.3
289.25198	3.8
317.24725	44.4
319.07846	2.4
335.10953	5.2
335.19757	2.6
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17684	0.9
55.05517	6.7
57.03452	10.2
58.06593	1.1
59.42028	1.0
67.05512	26.2
68.59259	1.2
69.07088	8.5
79.05508	15.0
80.00038	1.1
81.07064	34.8
83.08624	2.7
86.06116	1.3
88.07619	3.0
90.14239	1.0
91.05486	6.3
93.07047	19.6
95.08608	33.8
97.10172	1.9
105.07008	9.1
107.08602	16.9
109.06509	1.7
109.10177	14.9
119.08558	5.8
121.10148	14.3
123.11704	1.9
129.05472	1.7
131.08588	2.1
133.10110	5.9
135.11707	11.8
145.10094	4.6
147.11722	2.1
149.13252	8.0
159.11700	2.7
161.13289	2.6
162.99628	1.2
163.14798	2.2
173.13319	1.6
242.24722	2.4
243.21143	5.5
243.24992	13.3
261.22220	5.4
287.27716	2.8
291.08444	6.4
303.08606	1.7
305.06186	2.7
317.24838	2.3
319.07867	8.0
320.08813	14.4
335.11124	21.0
335.21848	27.2
335.25784	100.0
335.29849	28.2
337.23428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
54.49409	1.2
55.05512	5.3
57.03438	9.2
59.11983	1.1
62.32074	1.2
62.56264	1.2
67.05511	28.0
68.62716	1.1
69.07068	6.3
79.05487	12.6
81.07055	35.2
81.07497	2.2
83.08606	4.9
85.06493	1.2
90.80845	1.1
91.05463	8.2
92.20919	1.6
93.07044	20.4
95.08611	38.9
97.06544	1.4
97.10171	1.7
98.98451	2.5
105.07047	7.4
107.08590	15.4
109.10165	20.3
117.07034	1.4
119.08563	6.0
121.10136	11.8
123.11686	5.5
131.08572	2.9
133.10143	7.1
135.11703	13.3
137.13268	2.8
145.10162	2.9
147.11710	6.6
149.13219	9.9
159.11707	1.8
161.13206	5.1
163.14810	6.9
173.13287	2.5
175.14713	1.5
177.16360	1.3
187.14824	1.8
243.21144	5.2
243.25023	1.6
261.22125	6.3
291.08423	2.3
302.35013	1.3
305.06369	2.4
317.24829	1.5
317.71216	1.4
320.08725	6.7
335.07709	1.5
335.11041	9.4
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
55.05515	9.9
57.03445	20.8
58.43200	1.6
59.53902	1.3
60.51629	1.5
61.46220	1.4
67.05508	52.2
69.07076	16.4
71.17429	1.5
79.05137	1.6
79.05503	23.8
81.07061	46.0
81.45700	1.6
83.08601	3.9
91.05482	9.5
93.07046	32.3
95.08610	43.4
105.07030	7.8
107.08598	12.7
109.10174	11.7
117.68830	1.6
119.08556	3.8
121.10148	12.3
131.08577	3.2
133.10129	3.1
135.11720	2.9
145.14021	1.7
147.11755	1.6
149.13379	1.7
194.76392	2.0
200.90503	1.5
305.06778	2.3
319.07837	3.3
320.05435	2.9
320.08807	10.4
335.11383	11.6
335.22137	3.6
335.25766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
51.85231	0.7
55.01877	2.9
55.05507	3.2
57.03434	0.7
57.07089	1.2
67.05524	5.7
69.07069	7.3
71.04968	1.0
79.05501	1.7
81.07061	12.1
83.08615	4.6
85.06548	1.1
91.05427	1.3
93.07021	6.1
95.04965	3.9
95.08593	10.3
97.06525	5.5
98.98440	0.9
105.07040	7.0
107.08608	8.2
109.06518	64.2
109.10164	4.5
119.08558	3.4
121.06499	1.8
121.10155	4.1
123.08041	5.6
123.11671	1.3
133.10130	4.0
135.08162	0.9
135.11720	1.0
137.09673	0.8
140.89438	0.9
144.33217	0.8
145.10101	1.5
147.11682	1.6
149.09630	3.0
149.13344	1.2
159.11679	3.8
161.13170	1.0
163.11147	0.9
165.12726	4.4
219.17348	1.1
243.36504	0.8
261.18478	1.8
279.19562	7.3
317.24835	3.2
319.08072	1.7
320.08722	3.7
335.11230	5.6
335.25797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
51.88106	1.1
54.01697	1.0
55.05504	6.3
56.19245	1.3
57.03426	6.3
57.07065	1.4
58.36706	1.2
58.42639	1.1
64.06197	1.2
67.05512	26.5
69.07057	6.1
79.05505	11.9
81.07058	36.3
83.08615	3.5
91.05470	8.2
93.07039	19.2
95.08607	29.1
97.10133	3.2
105.07016	6.6
107.08610	18.5
109.06533	2.2
109.10143	13.8
119.08585	6.3
121.10143	10.5
123.11633	3.2
131.08545	2.2
133.10120	7.4
135.04504	1.3
135.11676	13.9
138.09302	1.6
145.10135	2.4
147.11656	2.2
149.13242	8.5
159.11700	1.9
161.13263	2.1
163.14774	3.4
165.12688	3.5
170.11726	3.1
175.14825	1.6
187.14836	1.7
192.13881	1.8
243.21112	2.7
261.22144	5.7
277.32803	1.5
291.08356	5.6
303.08432	2.5
305.06259	6.9
317.24680	1.6
319.08035	11.9
319.66122	1.6
320.08783	11.2
335.11087	19.8
335.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
50.43283	0.8
53.67809	1.0
55.01877	0.9
55.05505	7.0
57.03444	14.6
57.90130	1.0
58.84664	0.9
65.27869	0.9
67.05145	0.9
67.05511	36.5
69.07067	10.0
79.05502	12.1
81.06618	1.9
81.07063	38.3
83.04997	1.1
83.08614	4.3
85.06557	1.4
91.05475	7.8
93.07041	23.0
95.04942	1.3
95.08611	36.9
97.06515	2.0
105.07026	6.2
107.08604	14.6
108.80064	1.0
109.10151	13.1
112.01039	1.1
119.08561	7.0
121.10135	15.0
123.11714	6.6
126.52094	1.0
131.08582	5.4
133.10144	7.6
135.11688	13.9
137.13188	1.2
145.10115	5.1
147.11603	3.5
149.13217	7.4
159.11673	2.0
161.13184	3.8
163.14818	2.0
165.12735	1.3
173.13240	2.4
187.14766	1.9
200.66953	1.1
243.21065	4.6
261.22174	4.8
294.59277	1.2
317.24741	1.4
335.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
51.63530	1.9
55.05529	4.6
60.28937	1.8
67.05505	8.9
69.07066	14.0
71.08632	4.8
79.05501	3.7
81.07061	13.5
83.08634	3.6
86.75802	2.3
91.05464	2.4
93.07040	13.3
95.04986	8.2
95.08585	8.9
105.07034	5.5
107.08611	10.1
109.06528	34.8
109.52795	2.3
119.08569	10.7
121.10135	4.2
135.08054	2.8
135.11769	4.3
145.10126	2.7
147.11679	5.7
149.13321	2.4
161.13251	2.5
165.12747	91.1
177.12735	5.0
289.25232	4.2
317.24741	45.9
335.11426	3.8
335.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24408	0.8
55.05509	5.0
60.49549	0.8
61.48788	0.9
67.05506	12.0
69.04551	2.1
69.07063	5.8
70.06588	1.2
73.11321	0.8
75.05627	1.3
78.81796	0.8
79.05485	2.2
81.07054	12.7
83.08617	1.5
84.16249	1.0
86.16647	0.8
91.05463	1.9
93.07034	1.9
94.06553	1.3
95.08604	9.6
96.08139	1.4
100.11256	1.5
105.07077	1.5
107.08591	4.1
109.07633	4.1
109.10159	5.3
119.08576	1.9
121.10097	1.7
123.11679	1.5
126.12776	2.1
133.10043	1.0
135.11707	1.1
138.12865	1.1
139.12291	1.2
152.14342	4.5
153.13860	3.8
164.14323	1.4
179.15428	1.5
192.17522	1.9
206.15395	1.2
224.16418	1.4
225.15927	1.0
276.23230	1.2
279.23172	1.7
290.24741	1.5
294.24255	4.5
300.23373	1.2
308.25836	8.3
317.25867	13.7
318.24329	2.0
319.07782	1.2
320.08722	5.0
335.11038	7.7
335.20166	6.1
335.26929	100.0
335.30347	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19843	0.7
56.05029	1.6
57.07079	1.8
58.06611	6.7
59.20753	0.6
59.60219	0.6
60.04532	0.8
66.73124	0.8
71.62388	0.8
74.06080	4.6
86.06060	4.9
87.04475	0.8
87.06385	0.9
88.07629	17.4
89.07956	3.2
104.07103	4.4
132.10172	3.6
133.10570	1.9
137.83383	0.8
162.11246	1.4
166.10724	2.0
172.31335	0.8
179.40921	0.8
203.95894	0.9
242.24823	9.2
243.25113	44.8
287.27740	17.8
317.28714	1.3
319.15793	1.0
335.11240	1.4
335.29837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19843	0.7
56.05029	1.6
57.07079	1.8
58.06611	6.7
59.20753	0.6
59.60219	0.6
60.04532	0.8
66.73124	0.8
71.62388	0.8
74.06080	4.6
86.06060	4.9
87.04475	0.8
87.06385	0.9
88.07629	17.4
89.07956	3.2
104.07103	4.4
132.10172	3.6
133.10570	1.9
137.83383	0.8
162.11246	1.4
166.10724	2.0
172.31335	0.8
179.40921	0.8
203.95894	0.9
242.24823	9.2
243.25113	44.8
287.27740	17.8
317.28714	1.3
319.15793	1.0
335.11240	1.4
335.29837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24514	0.1
54.26178	0.1
56.82236	0.1
86.22102	0.1
122.64962	0.2
163.05356	0.2
186.38614	0.2
194.94827	0.2
212.89708	0.2
230.43857	0.2
263.05716	0.2
263.09079	0.2
264.10388	0.2
275.09348	2.0
278.08038	3.3
278.23737	0.2
291.08862	1.3
292.09662	40.2
304.09674	8.4
305.10550	0.3
306.07605	15.2
307.08380	0.7
318.07629	1.1
320.09164	46.2
321.09949	44.4
336.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96981	0.1
56.20687	0.2
84.71688	0.2
87.84507	0.2
101.24672	0.2
127.47511	0.2
152.16588	0.2
191.07094	0.2
262.77643	0.2
275.09341	2.0
276.10138	0.3
278.08020	2.8
290.61716	0.2
291.08835	1.2
292.09653	37.7
304.09650	7.7
304.13074	0.3
305.10437	0.2
306.07581	14.9
307.08301	0.8
318.07776	0.8
320.09164	44.0
321.09933	42.5
336.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57590	0.2
60.38267	0.1
60.41825	0.1
60.96936	0.1
61.87375	0.2
62.88435	0.2
86.93382	0.2
101.57571	0.2
109.51781	0.2
113.53024	0.2
175.36833	0.2
185.86415	0.2
195.59958	0.2
235.05989	0.2
241.84798	0.2
258.61346	0.2
263.09549	0.2
275.09402	2.0
278.08115	3.0
291.08963	1.2
292.09656	37.5
304.09671	7.8
306.07578	12.8
307.08246	0.3
318.07550	1.3
320.09167	43.9
321.09940	42.0
321.13898	0.4
336.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31173	0.1
83.49043	0.1
98.23180	0.1
116.33653	0.1
156.98827	0.1
275.09354	2.1
278.08038	3.4
291.08862	1.8
292.09662	38.6
303.08838	0.2
304.09668	8.2
305.10474	0.6
306.07593	14.0
307.08154	0.5
318.07602	0.7
320.09174	45.1
321.09952	44.1
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9568
Annotation	Unknow
Peak:m/z	Relative Intensity
111.17760	0.2
118.51262	0.2
153.86487	0.2
235.45837	0.2
275.09290	1.5
278.08023	3.1
291.08890	1.3
292.09668	32.3
304.09674	7.2
305.10406	0.2
306.07608	12.8
318.07535	0.8
320.09174	36.9
321.09949	37.0
336.12289	100.0
358.74683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30965	0.1
59.12113	0.1
59.15314	0.1
60.38137	0.1
89.62672	0.1
185.15250	0.1
200.03571	0.2
206.71002	0.2
263.09293	0.2
275.09445	1.6
277.07190	0.2
278.08047	2.8
291.08878	0.9
292.09662	33.5
304.09656	6.9
305.10645	0.2
306.07590	13.0
307.08383	0.7
318.07712	0.3
320.09171	40.0
321.09949	39.7
336.12283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65580	0.1
56.85786	0.2
63.62624	0.2
66.79051	0.2
86.79718	0.2
94.48574	0.2
115.92274	0.2
122.24099	0.2
155.50496	0.2
174.34639	0.2
200.50609	0.2
217.53729	0.2
262.19644	0.2
275.09360	2.3
278.08130	2.9
291.08936	1.5
292.09665	45.7
304.09659	9.9
305.10364	0.4
306.07605	16.1
307.08444	0.8
318.07770	1.0
320.09174	55.2
321.09949	53.8
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24236	0.2
70.01859	0.3
109.64305	0.2
120.29570	0.2
123.12955	0.3
169.79539	0.2
244.48242	0.3
275.09598	1.0
278.08203	2.0
285.84769	0.3
291.08868	0.6
292.09653	25.4
304.09732	5.0
306.07605	8.7
318.07349	0.3
320.09174	30.8
321.09955	30.0
336.12296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25820	0.1
60.91168	0.2
66.34711	0.1
75.17965	0.1
98.33032	0.2
119.72595	0.2
144.83578	0.1
264.10236	0.2
267.74707	0.2
275.09445	1.4
278.08072	2.2
291.08871	0.8
292.09668	31.0
295.26343	0.2
299.24231	0.2
304.09683	6.4
305.10327	0.3
306.07611	10.6
306.11166	0.3
307.08307	0.4
318.07562	0.7
320.09171	36.1
321.09949	34.4
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21370	0.2
67.74843	0.2
119.26979	0.2
275.09375	1.6
278.08047	3.2
291.08835	1.5
292.09668	39.3
304.09665	8.4
305.10458	0.3
306.07620	13.9
308.80930	0.3
318.07608	0.5
320.09174	45.2
321.09949	43.6
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01636	0.2
51.25628	0.2
53.52232	0.2
58.46723	0.2
60.18918	0.2
64.69018	0.2
67.41466	0.2
68.08198	0.2
193.60268	0.2
194.09302	0.2
215.73688	0.2
263.09424	0.2
271.58679	0.2
275.09351	1.8
278.08078	2.2
291.08954	1.7
292.09668	37.3
304.09668	8.3
305.10583	0.3
306.07608	14.2
307.08215	0.4
311.35028	0.2
318.07578	1.0
320.09180	42.4
321.09958	43.2
336.12292	100.0
337.00400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72470	0.2
58.35858	0.2
69.88567	0.2
69.88953	0.2
82.93054	0.2
153.34128	0.2
238.61905	0.2
275.09445	1.5
278.08069	2.5
291.08948	0.5
292.09653	33.4
304.09692	7.3
306.07584	11.5
307.08417	0.4
318.07703	1.1
320.09155	39.5
321.09930	38.7
336.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13895	0.2
58.69933	0.1
71.34486	0.2
78.27053	0.2
115.54964	0.2
275.09348	1.9
278.08060	2.2
291.08759	1.0
292.09644	31.2
304.06238	0.4
304.09644	6.7
305.10413	0.4
306.07547	11.9
307.08188	0.3
318.07648	0.3
320.09134	38.4
321.09921	35.8
336.12256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55784	0.1
56.40964	0.2
62.35140	0.1
84.82821	0.1
87.17867	0.2
94.35616	0.2
115.02961	0.2
164.64833	0.2
213.05524	0.2
235.21309	0.2
263.09360	0.2
275.09467	1.4
278.08026	3.0
291.08881	1.1
292.09653	37.8
304.09659	8.0
305.10376	0.6
306.07593	13.1
307.08289	0.4
318.07684	1.2
320.09155	43.3
321.09943	40.0
323.97028	0.2
336.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81491	0.1
56.62842	0.1
69.30869	0.1
72.14545	0.2
92.21223	0.2
129.07330	0.2
246.26349	0.2
275.09378	1.6
278.08011	2.5
291.08868	0.9
292.09656	32.5
304.09656	5.9
305.10458	0.3
306.07605	11.5
307.08292	0.4
318.07739	0.7
320.09164	36.4
321.09937	33.1
336.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38976	0.1
54.75760	0.1
54.89418	0.1
103.45477	0.1
143.19064	0.1
273.07343	0.2
275.09448	1.4
278.07993	1.8
287.46603	0.1
291.09045	1.0
292.09656	27.3
303.08804	0.1
304.09683	5.6
306.07605	9.1
307.08255	0.3
318.07562	0.6
320.09164	30.5
321.09943	30.3
336.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24236	0.2
70.01859	0.3
109.64305	0.2
120.29570	0.2
123.12955	0.3
169.79539	0.2
244.48242	0.3
275.09598	1.0
278.08203	2.0
285.84769	0.3
291.08868	0.6
292.09653	25.4
304.09732	5.0
306.07605	8.7
318.07349	0.3
320.09174	30.8
321.09955	30.0
336.12296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35779	0.3
57.63076	0.3
58.50308	0.3
90.98672	0.3
106.78526	0.3
275.09448	0.9
278.08066	2.0
291.08896	0.6
292.09647	28.0
304.09647	4.5
306.07541	10.0
308.09091	0.6
312.57938	0.5
313.08401	0.7
320.09180	34.3
320.59537	0.5
321.06360	3.5
321.09921	38.7
336.09070	4.3
336.12283	100.0
336.25183	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61420	0.2
66.55156	0.2
75.42477	0.3
123.18427	0.2
139.11212	0.3
224.07106	0.4
225.07835	1.2
249.07877	0.6
257.06879	0.5
265.07339	0.5
280.09521	0.5
281.06662	0.3
284.18900	0.3
293.06812	7.0
306.07526	1.3
308.09143	5.3
321.06406	2.0
321.09805	0.5
334.07089	0.3
336.08633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0863
Annotation	8-Oxocoptisine
Peak:m/z	Relative Intensity
62.91774	0.5
78.03324	0.6
79.63293	0.6
85.54130	0.6
107.97597	0.6
108.55266	0.5
128.16853	0.6
138.08754	0.6
181.85753	0.7
278.07974	1.1
290.97235	0.7
291.00345	0.7
291.08820	0.8
292.06381	1.3
292.09644	20.1
293.06622	1.2
304.09698	3.7
306.07602	8.1
308.09207	5.2
308.12515	0.8
320.05630	2.1
320.09122	32.1
321.02255	1.0
321.06262	66.8
321.09958	26.4
336.08557	52.8
336.12296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0862
Annotation	N-Formyldehydroovigerine
Peak:m/z	Relative Intensity
54.21435	0.6
57.43044	0.6
67.74947	0.7
82.11304	0.6
103.49995	0.7
120.85300	0.8
138.84920	0.7
141.56226	0.7
250.08586	0.9
273.06390	0.8
275.09457	1.5
278.08066	3.0
280.09589	3.1
292.06409	1.6
292.09610	29.5
304.09711	4.9
306.07602	9.3
306.83704	0.7
308.09146	39.5
320.05405	1.2
320.09146	33.0
321.06207	2.0
321.09924	40.4
334.07095	3.4
336.08560	52.9
336.12286	100.0
336.25104	1.4
358.03079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16895	0.2
59.70082	0.2
62.55119	0.3
146.40302	0.3
164.44734	0.3
225.07762	0.6
237.07700	0.3
249.07880	0.5
265.07324	0.5
293.06836	6.3
306.07529	1.1
308.09149	6.6
320.09207	0.4
321.06241	1.4
321.09845	0.3
336.08643	100.0
346.13974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52496	0.3
63.24944	0.3
77.14181	0.3
87.41920	0.3
92.21463	0.4
98.02692	0.2
98.97575	0.3
105.84599	0.3
121.06517	0.5
135.93112	0.3
222.79739	0.3
224.07384	0.4
225.07849	1.1
233.07376	0.5
237.07726	0.4
249.07962	1.2
257.06931	0.6
265.07404	0.4
292.09662	1.2
293.06818	6.2
306.07684	2.1
308.09116	6.4
320.08975	2.1
321.06232	1.3
321.09964	1.8
336.08661	100.0
336.12070	5.1
338.08951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99638	0.3
63.90366	0.4
65.24214	0.3
70.51124	0.4
75.90794	0.4
93.03474	0.4
137.88921	0.4
153.96104	0.4
192.08934	0.5
237.65353	0.5
266.08096	0.6
281.17941	0.4
290.08102	3.4
291.08862	0.6
292.09665	9.8
294.07535	1.7
304.09717	1.9
306.07526	3.9
308.09116	3.9
318.07559	5.9
320.05420	0.6
320.09180	13.5
321.09937	15.5
334.07028	0.8
336.08609	100.0
336.12326	33.4
344.75595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0865
Annotation	Oxocrebanine
Peak:m/z	Relative Intensity
52.74223	0.5
64.05775	0.5
79.46778	0.6
275.05768	2.6
278.08331	0.6
288.00003	0.6
291.05261	0.6
291.09009	2.3
292.06042	23.8
292.09674	24.8
292.12964	1.0
304.06140	1.3
304.09625	3.6
306.04218	1.2
306.07538	8.2
320.05478	27.1
320.09183	33.9
321.06265	18.4
321.09955	32.6
321.13947	0.7
336.08591	51.4
336.12317	100.0
336.25061	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59003	0.3
66.37004	0.3
71.54195	0.3
72.74513	0.3
73.01023	0.3
73.47858	0.3
95.08618	0.3
97.09013	0.3
97.98154	0.3
111.86027	0.3
145.34975	0.3
154.11845	0.3
160.07562	0.4
161.05916	1.3
164.07082	0.4
167.42624	0.3
178.08614	3.9
225.07855	0.6
265.07327	1.3
280.10040	0.4
287.83084	0.4
293.06760	6.1
306.07629	1.8
308.09232	4.7
321.06473	1.0
321.09842	1.0
336.08636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62447	0.2
72.86540	0.2
92.94123	0.2
105.76088	0.2
137.97667	0.2
155.09619	0.3
225.07851	0.5
249.07681	0.4
265.07401	1.2
278.07910	0.4
280.09732	0.5
292.09518	0.5
293.06824	6.1
306.07593	1.5
308.09177	6.0
310.83670	0.3
320.08954	0.4
321.06296	1.8
321.09729	0.6
336.08649	100.0
336.11868	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47710	0.2
68.25902	0.2
111.23786	0.2
113.35282	0.2
116.39629	0.3
138.22150	0.3
225.07874	0.6
249.07817	1.5
265.07297	0.6
280.09665	0.4
281.06796	0.5
293.06845	5.9
306.07529	1.6
308.09158	5.5
321.06302	1.6
321.09857	0.3
336.08649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99638	0.3
63.90366	0.4
65.24214	0.3
70.51124	0.4
75.90794	0.4
93.03474	0.4
137.88921	0.4
153.96104	0.4
192.08934	0.5
237.65353	0.5
266.08096	0.6
281.17941	0.4
290.08102	3.4
291.08862	0.6
292.09665	9.8
294.07535	1.7
304.09717	1.9
306.07526	3.9
308.09116	3.9
318.07559	5.9
320.05420	0.6
320.09180	13.5
321.09937	15.5
334.07028	0.8
336.08609	100.0
336.12326	33.4
344.75595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42566	0.4
53.03960	0.4
54.55256	0.2
55.01875	3.0
58.27928	0.2
68.10752	0.3
69.03426	3.2
71.22579	0.3
72.08152	0.7
73.02910	2.1
75.70835	0.3
81.03428	2.9
81.74377	0.3
85.02902	7.0
97.02889	1.2
99.04407	0.5
109.02898	3.7
124.92576	0.3
127.03900	4.8
132.84993	0.3
143.11755	1.1
145.04982	0.5
153.09309	0.3
160.69395	0.3
161.05980	0.6
171.11331	0.4
178.08589	2.9
181.04961	0.7
199.06058	1.9
217.07062	8.7
221.24796	0.3
224.16652	0.4
225.07866	0.3
257.06940	0.4
265.07294	0.4
277.19418	0.3
292.09558	1.4
293.06796	5.1
306.07516	1.9
308.09161	4.7
312.31540	0.4
320.09180	2.0
321.06311	1.2
321.09976	1.7
336.08652	100.0
336.12039	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35163	0.2
81.46745	0.2
86.09705	0.3
88.79424	0.2
156.18243	0.2
159.56819	0.2
211.14627	0.2
230.99997	0.2
234.43814	0.2
266.07993	0.7
278.08209	0.3
280.22821	0.2
288.06491	0.4
290.08078	3.6
291.88474	0.2
292.09570	2.0
294.07614	1.6
304.09589	0.2
305.06757	0.7
306.07626	1.7
308.09140	4.2
318.07617	6.4
320.09097	2.4
321.09900	2.4
334.07114	1.0
336.08658	100.0
336.12164	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0868
Annotation	8-Oxocoptisine
Peak:m/z	Relative Intensity
51.79922	0.1
55.65772	0.1
72.50876	0.1
121.06487	1.8
127.24521	0.1
171.33470	0.2
216.10219	0.9
225.07848	0.8
235.99274	0.3
237.07770	0.2
249.07864	0.8
257.06769	0.5
265.07227	0.7
278.08023	0.2
280.09741	0.8
281.06876	0.3
291.08820	0.2
292.09589	0.2
293.03464	0.2
293.06784	5.6
306.07492	1.4
308.09149	5.5
308.11819	0.2
321.06662	0.9
321.09747	0.2
336.08643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0863
Annotation	8-Oxocoptisine
Peak:m/z	Relative Intensity
72.69463	0.2
74.42081	0.2
83.27960	0.2
136.06184	2.1
139.41563	0.2
143.86560	0.2
266.08099	0.8
268.53381	0.3
277.07367	0.2
278.08087	0.4
288.06546	0.4
290.08090	3.8
292.09607	3.1
294.07605	1.3
304.09818	0.3
305.06818	1.0
306.07529	2.0
308.09116	4.5
316.06033	0.3
318.07581	6.0
320.09152	3.6
321.09930	4.2
334.07092	0.8
336.08655	100.0
336.12238	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1077
Annotation	RD 01A7
Peak:m/z	Relative Intensity
58.06599	1.8
60.04510	0.9
62.12970	0.7
70.06605	8.6
70.86170	0.7
74.02458	0.7
74.29250	0.7
75.30773	0.7
77.29675	0.8
84.08144	5.2
86.09687	1.7
93.09357	0.8
95.06100	0.8
98.06050	0.9
98.36871	0.9
105.44706	0.7
110.07170	0.9
112.08743	1.1
120.08121	4.3
129.10248	0.9
136.07567	6.3
154.90984	0.9
161.05946	2.9
170.06012	1.4
172.07591	0.8
178.08588	3.6
179.32246	0.8
188.07089	3.7
204.05035	1.0
207.07715	1.4
217.07224	1.3
218.08086	8.5
244.09753	0.9
244.11946	1.2
246.07600	13.9
246.11360	1.5
262.07092	100.0
272.09125	2.7
276.08630	1.1
288.08591	7.3
290.10214	3.7
292.09659	1.5
297.67926	1.1
306.07712	1.0
308.09152	5.6
318.09784	4.6
320.09207	4.5
321.06360	1.3
321.09958	4.4
336.10852	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
75.95579	0.2
161.50809	0.2
219.62802	0.2
263.09387	0.7
264.10242	1.1
275.09375	0.9
278.08286	0.2
290.08069	0.8
291.08939	2.3
292.06525	0.4
292.09698	10.9
293.10486	1.0
304.09610	0.2
306.07608	0.8
308.12842	2.9
318.07733	0.3
320.09195	36.3
321.09970	11.1
334.10767	0.4
336.12311	100.0
351.19653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66549	0.2
60.65091	0.2
61.61737	0.2
82.28548	0.2
83.11136	0.2
200.13013	0.2
263.09366	0.5
264.10135	1.4
275.09497	0.4
278.07886	0.4
290.07990	0.9
291.08768	2.5
292.09647	12.6
293.06882	0.2
293.10382	1.3
304.09714	0.4
306.07733	0.4
308.12750	3.2
318.07657	0.4
320.09158	41.1
321.09949	11.4
334.10593	0.4
336.12277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78563	0.2
57.06247	0.1
59.31797	0.1
71.57180	0.2
74.91308	0.2
113.42953	0.2
159.06526	0.2
192.60069	0.2
202.33241	0.2
262.08798	0.2
263.09329	0.7
264.10141	0.3
268.00107	0.2
290.08292	0.3
291.08899	1.7
292.09656	11.7
293.10483	0.9
306.07669	0.9
306.11151	0.4
307.08432	0.2
308.12802	2.5
318.07904	0.3
320.09161	34.2
321.09924	8.9
334.10721	0.4
336.12280	100.0
346.30954	0.2
346.81296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1227
Annotation	Berberine
Peak:m/z	Relative Intensity
52.40622	0.4
55.09893	0.4
87.04536	0.4
92.52036	0.4
120.08079	0.5
121.10137	0.8
122.35210	0.5
175.66354	0.4
184.35698	0.4
197.65633	0.4
225.07945	0.4
249.07848	0.6
275.09293	1.0
278.08112	2.8
280.09540	0.5
291.08759	0.6
292.09665	30.6
293.06961	4.3
302.80432	0.4
304.09668	5.8
306.07605	12.9
308.09183	3.7
320.09158	34.6
321.06644	1.4
321.09946	36.6
336.08591	53.8
336.12305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99997	0.1
67.63831	0.1
84.16439	0.1
89.02371	0.1
97.97915	0.1
121.36771	0.1
203.41754	0.1
234.09103	0.2
262.08636	0.3
263.09341	0.7
264.10178	1.1
275.09360	0.5
278.08063	0.1
290.08099	0.7
291.08911	1.5
292.09653	11.0
293.07315	0.1
293.10367	1.1
304.09665	0.1
306.07571	0.7
306.11041	0.3
308.12805	2.6
309.47849	0.1
318.07578	0.2
320.09158	35.1
321.09943	10.4
334.10669	0.5
336.12274	100.0
345.26068	0.1
359.19516	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1227
Annotation	Berberine
Peak:m/z	Relative Intensity
58.62477	0.5
58.71931	0.5
59.78555	0.5
67.84767	0.5
68.03464	0.5
74.77282	0.6
77.30499	0.5
79.27130	0.5
81.07056	1.3
87.37219	0.5
91.31682	0.5
93.07034	0.7
95.08602	1.2
109.06534	0.8
121.10143	0.6
156.36775	0.6
160.08763	0.6
165.12688	0.6
175.07904	0.5
186.30679	0.5
200.50597	0.6
223.24608	0.6
244.25365	0.5
275.09311	0.8
278.08099	1.2
290.25455	0.9
291.08856	1.1
292.06494	0.9
292.09647	25.9
294.24344	0.6
304.09705	6.7
306.07568	13.2
308.08948	1.0
318.25015	7.6
320.05637	1.9
320.09131	36.4
321.06198	0.9
321.09961	28.1
336.08752	7.2
336.12277	100.0
336.25775	4.7
336.30078	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16948	0.1
64.71857	0.1
64.85416	0.1
74.89646	0.1
76.00820	0.1
76.97179	0.1
77.41077	0.1
80.95455	0.1
92.53983	0.2
94.15141	0.1
95.94557	0.1
114.00562	0.1
154.17877	0.1
158.52565	0.1
204.08107	0.2
235.19212	0.1
262.08670	0.6
263.09396	0.8
264.10202	0.8
271.98938	0.1
275.09409	0.6
278.08099	0.2
281.64346	0.1
290.08154	0.5
291.08911	1.6
292.09665	12.1
293.07199	0.2
293.10199	0.9
306.07550	0.9
306.11011	0.2
307.08133	0.1
308.12772	2.7
318.07541	0.2
320.09174	35.0
321.09952	9.1
334.10742	0.7
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1228
Annotation	Berberine
Peak:m/z	Relative Intensity
50.55743	0.4
55.56337	0.4
55.72038	0.5
58.33849	0.4
60.06316	0.4
74.14191	0.5
87.76078	0.5
92.20927	1.2
127.58510	0.6
133.19069	0.5
161.43903	0.5
163.67354	0.5
202.89822	0.6
222.52419	0.5
275.09387	0.7
278.08157	2.1
291.08878	0.6
292.09653	23.9
304.09616	5.0
306.07684	9.5
320.09180	31.9
321.06094	1.2
321.09940	31.2
336.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1228
Annotation	Berberine
Peak:m/z	Relative Intensity
51.79078	0.4
75.80785	0.4
86.16334	0.4
145.00421	0.5
148.18565	0.6
258.49051	0.5
264.09937	0.4
275.09360	1.0
278.08182	1.9
292.09644	24.0
304.09723	4.4
306.07666	9.2
307.08649	0.5
320.09171	34.2
321.09940	33.3
336.12283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1229
Annotation	Berberine
Peak:m/z	Relative Intensity
55.88719	0.9
66.15995	0.8
87.95916	0.9
130.16913	1.2
194.89876	1.1
259.14786	1.2
278.08240	1.5
292.09641	34.4
304.09744	4.0
306.07620	13.1
320.09219	42.3
321.06125	1.8
321.09958	43.3
336.12305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.135
Annotation	Vasnetine
Peak:m/z	Relative Intensity
53.49525	0.6
102.38076	0.7
127.92542	0.8
131.04947	1.4
161.06033	0.8
165.49359	0.7
175.07556	3.5
233.09679	3.8
260.08203	1.0
261.09082	9.1
262.09921	4.1
273.09125	3.2
275.10699	0.9
277.12045	1.2
278.09311	4.4
287.10678	0.9
289.08530	9.7
290.09378	7.0
292.06375	1.4
292.09616	13.3
293.06906	0.9
293.11655	6.7
303.10156	3.6
304.09988	3.6
305.11707	27.1
306.07819	8.0
320.09113	24.7
321.10992	39.7
335.13123	1.1
336.12897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13274	1.0
54.04975	0.8
58.06612	6.7
63.54602	0.8
63.94025	0.8
70.06601	1.2
72.04520	47.9
85.02927	1.5
88.03996	1.7
89.41273	1.1
90.05585	1.8
99.04442	1.3
115.09136	1.1
116.03496	1.4
121.85672	1.0
128.07117	1.7
131.01590	1.8
137.07126	4.3
142.08577	1.1
145.04982	1.1
160.11273	3.7
163.08479	1.0
167.67787	1.0
174.05551	1.7
186.09172	1.9
192.03917	0.9
192.06662	1.1
193.73344	0.9
195.06718	1.0
203.11818	22.1
204.10234	1.4
208.10893	4.4
221.12839	46.0
229.13469	4.2
247.14432	10.1
247.16631	1.2
250.10771	3.9
274.15460	6.4
277.08643	1.3
290.10333	1.6
290.15024	6.5
292.16568	16.3
301.11972	3.8
318.14514	13.4
319.12836	11.0
336.15475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33376	2.1
53.03954	2.6
58.06603	17.7
69.03430	19.4
72.04517	58.3
73.94160	2.7
81.03428	10.5
85.02903	30.6
88.45744	2.6
90.05553	100.0
97.02906	19.8
99.04470	6.0
102.38432	2.4
109.02891	21.4
121.06509	17.9
127.03902	33.7
127.89893	2.9
128.07072	13.6
132.06578	13.2
143.89619	2.8
145.04939	45.9
161.05922	3.7
174.05493	4.8
174.09140	5.0
187.06070	4.8
188.33778	3.1
192.82314	2.7
194.66229	2.7
198.07620	10.9
205.07098	5.2
216.08673	30.3
234.09711	59.0
250.10684	18.4
289.12817	4.9
318.15381	6.3
336.14008	25.6
336.16541	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19626	0.3
65.87315	0.4
66.27430	0.3
69.07057	0.4
76.03980	0.4
81.07072	0.4
82.75800	0.4
84.92191	0.4
93.07072	0.5
95.08583	0.6
109.06521	0.6
109.10196	0.4
110.06887	0.6
124.31093	0.4
165.12720	1.9
166.13115	2.7
171.73624	0.4
193.25505	0.5
225.71269	0.4
240.92825	0.4
278.07907	0.5
280.09344	0.5
290.08310	0.5
291.08917	0.6
292.06546	0.8
292.09656	19.9
304.09622	2.0
306.07654	6.6
307.04962	0.5
307.08231	0.5
308.09088	2.8
308.12567	0.7
318.25107	2.4
320.05817	1.3
320.09167	34.2
321.06213	0.9
321.09940	22.3
336.08713	8.4
336.12286	100.0
336.22910	2.2
336.26175	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37077	0.6
61.70523	0.5
61.80579	0.5
63.24397	0.5
67.05505	0.7
70.68768	0.6
70.94400	0.5
151.05478	0.6
158.90430	0.6
179.20219	0.5
187.25519	0.8
191.79111	0.6
206.11536	13.6
213.17325	0.6
214.97676	0.6
217.82193	0.7
264.58102	0.6
275.09454	0.9
278.07974	1.2
286.76083	0.6
291.08908	0.9
292.09671	27.7
304.09595	4.7
306.07565	9.9
308.09302	0.9
318.24570	0.8
320.09177	36.4
321.06241	1.0
321.09958	34.3
336.09174	3.9
336.12274	100.0
336.25146	7.0
355.36053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60952	0.4
58.54519	0.4
68.39524	0.4
70.32960	0.5
72.49487	0.4
79.30470	0.4
99.86265	0.5
105.01414	0.4
112.85724	0.6
194.11421	0.8
275.09427	1.1
278.08185	2.1
280.09433	0.6
291.08704	0.5
292.06088	4.7
292.09680	21.1
304.06488	0.5
304.09555	3.7
306.07611	8.8
307.08521	0.5
308.09186	8.6
308.12531	0.9
318.24271	0.6
320.05560	4.7
320.09137	34.0
321.06348	3.9
321.09912	31.6
334.07080	1.2
336.08615	23.4
336.12323	100.0
336.25110	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37077	0.6
61.70523	0.5
61.80579	0.5
63.24397	0.5
67.05505	0.7
70.68768	0.6
70.94400	0.5
151.05478	0.6
158.90430	0.6
179.20219	0.5
187.25519	0.8
191.79111	0.6
206.11536	13.6
213.17325	0.6
214.97676	0.6
217.82193	0.7
264.58102	0.6
275.09454	0.9
278.07974	1.2
286.76083	0.6
291.08908	0.9
292.09671	27.7
304.09595	4.7
306.07565	9.9
308.09302	0.9
318.24570	0.8
320.09177	36.4
321.06241	1.0
321.09958	34.3
336.09174	3.9
336.12274	100.0
336.25146	7.0
355.36053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19787	0.3
57.59499	0.3
61.51208	0.3
96.29166	0.4
97.83388	0.3
121.96406	0.3
141.92473	0.4
275.09308	1.8
278.08023	2.3
291.08868	0.7
292.09641	30.7
304.09601	5.8
306.07538	10.4
307.08368	0.8
320.09164	35.7
321.09930	38.3
336.12271	100.0
336.25171	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35702	0.9
55.05506	5.6
57.07061	1.0
67.05495	5.2
68.25868	1.0
69.07064	10.9
70.52518	1.0
71.04971	0.9
71.08640	7.9
72.04514	9.7
79.05486	2.5
80.13615	0.9
81.07059	15.5
83.08629	9.0
91.05479	1.3
93.07043	5.3
95.08610	13.0
97.10144	7.0
99.08105	3.7
105.07014	2.3
107.08591	5.1
109.10162	8.3
109.89613	1.0
111.11719	1.6
114.09170	2.2
119.08630	1.6
121.10126	2.5
123.11671	3.9
128.10677	2.1
130.08562	1.0
132.53001	1.1
135.11726	2.4
142.12280	1.2
147.11681	1.4
149.13350	1.1
156.07642	1.2
156.13835	2.2
165.12727	6.3
168.13811	1.3
175.14836	1.5
191.92929	1.2
204.22647	1.2
220.10036	1.1
222.13063	1.0
232.07518	1.0
238.21671	7.4
244.49609	1.1
244.77705	1.1
248.20294	1.0
271.16620	1.0
291.23264	2.1
292.09650	19.1
301.28705	2.5
304.09494	1.4
306.07538	8.9
308.09195	2.4
319.29922	5.4
320.05508	1.6
320.09146	34.0
321.06204	1.6
321.09888	26.9
336.08640	11.0
336.12265	100.0
336.29010	72.0
336.32617	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14550	0.6
51.38417	0.7
55.05516	1.2
57.07072	5.5
57.13619	0.7
67.05495	4.9
69.07061	7.8
71.08642	1.8
81.07050	9.5
83.08629	6.5
87.37352	0.8
89.06036	4.6
93.07026	1.8
95.08607	10.0
97.10173	4.2
107.08593	1.4
109.10130	5.7
111.11713	0.9
119.08571	1.5
121.10131	1.1
123.11652	1.4
128.10675	0.9
132.03418	0.9
133.10129	1.9
134.81737	0.8
135.11720	1.7
151.09669	3.4
153.50369	0.8
207.58992	1.0
245.99271	0.9
252.23141	0.8
278.08249	1.0
291.09085	0.9
292.09656	31.9
301.28812	1.7
304.09689	5.7
306.07669	12.6
319.29791	5.5
320.09164	37.9
321.06155	1.5
321.09958	44.8
336.08978	4.7
336.12277	100.0
336.32840	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98631	1.9
69.03417	3.7
70.06583	12.9
73.50455	2.4
81.03416	2.8
84.08149	4.4
85.02908	13.3
96.04485	3.6
96.48888	2.7
97.02861	4.7
98.97603	3.3
111.04432	2.7
119.01913	13.3
121.65299	3.2
127.02430	14.4
127.03944	3.9
128.07034	2.9
131.01875	12.9
139.02420	4.0
143.00349	3.1
143.01903	4.7
145.03465	73.7
146.75908	2.6
155.01871	42.4
157.03439	45.2
161.02863	5.8
171.01372	23.9
173.02948	65.9
175.04527	14.1
183.01442	4.1
185.02942	10.7
187.04465	3.6
189.02434	24.4
193.05527	4.6
199.00867	5.1
201.02420	6.5
203.03938	3.1
211.06570	3.6
217.01933	100.0
217.05276	3.3
221.05049	4.1
229.01938	36.7
235.02997	23.6
235.06650	5.5
247.02936	26.3
247.06828	8.6
253.11662	3.2
265.04132	4.4
277.03931	11.7
294.05664	10.7
319.05197	4.6
337.05890	18.3
337.09070	64.1
337.17044	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47096	1.4
53.51748	1.6
68.28590	2.1
73.41902	1.6
99.83993	1.9
174.75240	2.1
279.84714	2.3
337.08945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21142	1.3
52.84019	1.4
60.05634	1.5
62.52837	1.5
66.68011	1.5
67.42259	1.9
70.06581	8.6
73.17139	1.5
75.17289	1.4
75.33697	1.4
85.02923	1.9
92.91429	1.6
111.65263	1.8
127.60543	1.6
131.01831	1.5
133.03473	7.7
145.03462	10.7
151.04543	1.8
155.01886	6.9
156.98079	1.9
157.03471	6.6
171.01370	2.3
173.02972	8.8
174.99149	7.4
175.04514	8.5
185.02888	2.1
187.04565	4.0
189.02501	2.0
193.00209	3.9
199.04515	2.1
201.06084	1.8
217.00203	2.4
217.01964	11.3
217.05595	2.6
235.03065	1.8
295.08768	6.4
324.14188	1.7
337.09003	100.0
337.17090	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98451	0.3
57.60254	0.2
64.16587	0.2
107.34419	0.2
121.78871	0.2
136.68416	0.3
224.91870	0.3
251.08949	2.5
253.86154	0.3
279.08521	4.3
280.09360	0.4
281.09988	4.7
291.08441	2.3
291.39969	0.3
292.09451	0.3
293.06433	1.5
293.10013	3.9
294.07205	1.9
300.09534	0.3
305.10117	0.3
306.59821	0.3
307.07745	3.1
308.09009	4.4
309.09500	74.8
321.05942	0.5
321.09500	5.6
322.06628	0.5
322.10309	5.5
329.11670	0.3
335.07413	7.7
337.09018	100.0
337.12714	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
56.07864	0.2
56.67713	0.2
58.91480	0.2
66.84846	0.3
77.12177	0.2
79.27329	0.3
81.07046	0.3
81.93147	0.3
82.67531	0.3
115.76040	0.3
142.24266	0.3
232.47849	0.3
233.08026	0.4
251.08989	2.3
278.08118	0.4
279.08459	3.7
281.10013	5.3
291.08411	2.3
293.06366	1.1
293.09988	1.9
294.07181	3.3
300.61203	0.3
307.07785	2.5
308.08960	4.6
309.09494	74.5
319.70370	0.3
321.09467	2.5
322.10336	3.1
335.07397	8.1
337.08997	100.0
337.12625	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.05516	2.5
56.13412	0.5
57.03434	1.4
65.20145	0.6
67.05496	3.7
69.07067	3.5
70.03604	0.6
71.30061	0.6
79.05487	0.7
81.07066	7.4
83.97230	0.5
85.23428	0.5
91.05492	0.6
92.93522	0.6
93.07046	0.8
95.08610	4.7
97.10153	1.0
105.07037	0.6
107.08572	1.3
109.10150	3.2
121.10129	0.8
192.49083	0.6
279.08447	0.6
292.09534	2.4
293.06558	1.7
293.09970	10.5
305.10010	1.3
307.07632	2.2
309.09521	1.1
319.22482	0.9
320.09137	0.9
321.06143	6.8
321.09561	18.3
322.06680	100.0
322.10269	14.0
329.11566	0.8
337.08908	71.7
337.12677	52.2
337.23727	1.5
337.27228	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77452	0.4
57.36171	0.4
73.42333	0.5
75.15649	0.5
79.80573	0.4
89.94884	0.4
115.58825	0.6
190.98285	0.5
193.00880	0.5
234.16628	0.6
238.43936	0.5
255.98718	0.6
279.05307	0.8
292.09537	0.6
293.09909	4.7
294.07584	18.6
294.10867	0.7
305.09909	2.0
307.07913	0.9
308.09106	9.1
309.09747	0.6
318.07581	1.0
319.08450	4.3
320.09073	3.0
321.09470	7.3
322.07062	100.0
322.10284	7.4
336.08615	2.5
337.09357	63.3
337.12775	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1181
Annotation	Daibucarboline C
Peak:m/z	Relative Intensity
51.02359	0.1
58.06605	0.7
70.06590	0.3
84.08150	0.2
87.04467	0.2
146.06053	0.2
154.08607	0.4
172.09694	0.2
233.12822	0.2
234.07602	0.6
234.98917	0.3
239.08104	0.7
248.09419	0.4
264.08926	0.7
265.09698	3.7
276.08905	0.6
279.07605	0.6
280.08426	0.3
292.08472	0.6
293.09192	18.3
294.09998	9.7
294.13297	0.4
305.09058	0.2
307.07263	0.3
308.07983	0.3
309.12332	67.9
321.08704	11.6
322.09528	5.4
337.11813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90223	0.5
51.24027	0.6
57.19601	0.6
58.06595	0.5
67.96316	0.5
74.78295	0.5
85.02856	0.5
97.00340	0.5
106.59634	0.5
138.94586	0.5
248.09450	0.7
265.09760	3.3
293.09183	18.1
294.09958	10.0
309.12329	75.4
321.08713	10.3
322.09442	4.8
337.11813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
73.81909	0.4
90.70924	0.4
124.13125	0.4
127.24315	0.4
133.95345	0.5
265.09705	2.6
293.09195	18.6
294.09995	10.2
309.12311	68.0
321.08829	11.4
322.09515	3.8
337.11826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69719	0.2
60.49770	0.2
63.91312	0.2
79.66271	0.2
89.29856	0.2
90.81532	0.2
95.50477	0.3
107.91636	0.2
110.53387	0.2
118.62355	0.3
122.06791	0.3
134.33669	0.3
157.37743	0.3
278.06903	0.4
293.09204	13.3
294.07291	0.6
306.09836	0.3
309.09482	1.0
319.10770	0.6
321.08530	2.1
322.06516	0.3
322.09760	1.3
337.11975	100.0
347.72614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05166	0.3
58.06602	0.4
82.97922	0.4
85.68076	0.4
89.41764	0.4
90.56942	0.4
99.04462	0.7
111.94089	0.4
123.74541	0.4
142.77930	0.4
190.04980	0.7
201.52574	0.5
201.58693	0.5
215.32137	0.4
216.54053	0.5
248.09334	0.5
261.41373	0.4
265.09647	2.8
276.08865	0.7
293.09201	20.2
293.12607	0.8
294.10004	9.3
307.07758	0.6
309.12314	67.2
319.17038	0.4
320.09137	0.5
321.08752	13.0
322.09589	6.2
337.11819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
74.41943	0.4
83.78215	0.5
130.58543	0.5
168.15588	0.4
192.63031	0.5
230.74763	0.5
243.31215	0.5
265.09869	0.5
293.06232	0.6
293.09265	13.7
293.12637	0.8
294.07309	2.4
307.07733	0.8
309.09439	2.2
319.10916	0.7
321.08722	10.3
322.09689	3.5
337.08780	28.5
337.11847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69998	0.3
58.06595	0.3
62.24611	0.3
66.03159	0.4
75.27037	0.4
149.06941	0.4
154.06546	0.4
175.86255	0.4
276.08957	2.5
292.08386	1.4
293.09219	6.8
293.12262	0.6
307.07089	0.9
308.07938	0.8
321.08701	30.8
322.09509	13.0
337.11841	100.0
352.47299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.118
Annotation	Daurioxoisoporphine B
Peak:m/z	Relative Intensity
50.41802	0.1
58.06596	0.2
59.76978	0.1
72.08139	0.1
86.09668	0.1
94.98826	0.1
132.05409	0.1
146.41740	0.1
148.46013	0.1
160.00905	0.1
191.07048	0.1
192.54408	0.1
263.08148	0.2
264.08832	0.2
276.08929	1.4
277.09756	0.1
292.08426	0.8
293.09195	7.5
294.06937	0.3
305.08978	0.5
306.09991	0.2
307.07224	1.2
308.07690	1.2
309.09396	0.8
309.12323	0.3
319.07309	0.4
319.10852	0.4
321.08688	25.5
322.09506	9.3
337.11890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69719	0.2
60.49770	0.2
63.91312	0.2
79.66271	0.2
89.29856	0.2
90.81532	0.2
95.50477	0.3
107.91636	0.2
110.53387	0.2
118.62355	0.3
122.06791	0.3
134.33669	0.3
157.37743	0.3
278.06903	0.4
293.09204	13.3
294.07291	0.6
306.09836	0.3
309.09482	1.0
319.10770	0.6
321.08530	2.1
322.06516	0.3
322.09760	1.3
337.11975	100.0
347.72614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69719	0.2
60.49770	0.2
63.91312	0.2
79.66271	0.2
89.29856	0.2
90.81532	0.2
95.50477	0.3
107.91636	0.2
110.53387	0.2
118.62355	0.3
122.06791	0.3
134.33669	0.3
157.37743	0.3
278.06903	0.4
293.09204	13.3
294.07291	0.6
306.09836	0.3
309.09482	1.0
319.10770	0.6
321.08530	2.1
322.06516	0.3
322.09760	1.3
337.11975	100.0
347.72614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04203	0.3
51.73775	0.3
53.01508	0.3
57.72537	0.3
59.01947	0.4
73.36902	0.3
74.93649	0.4
114.77092	0.4
116.53014	0.4
122.26493	0.4
263.08990	0.4
265.10419	0.5
291.08569	0.6
292.09338	2.3
293.09973	8.8
294.10941	0.7
307.07895	0.5
309.13120	3.4
320.09161	2.1
321.09488	36.1
322.10284	10.1
336.11853	0.4
337.12619	100.0
337.49905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21912	0.5
82.28659	0.5
86.59786	0.5
142.73782	0.5
186.22449	0.5
276.09796	1.8
279.08429	1.0
292.09671	4.7
293.10010	27.5
305.09943	5.3
306.07526	0.6
307.07861	8.4
320.09021	1.0
321.09506	36.1
322.10281	39.6
326.28241	0.5
337.12610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82281	0.6
148.22841	0.5
159.40677	0.6
159.92592	0.6
186.68637	0.5
276.09714	1.2
279.08414	2.4
292.09659	5.2
293.09991	36.2
305.10043	9.5
306.07639	1.2
307.07883	14.5
320.09189	1.0
321.09525	43.6
322.10281	46.0
337.12619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03434	2.7
57.07055	0.8
63.04152	0.6
67.05510	8.8
69.07074	6.3
77.95705	0.7
79.05495	3.5
81.06679	0.9
81.07072	12.0
83.04939	0.7
83.08612	3.9
88.42558	0.8
91.05478	3.1
93.07039	4.3
95.04961	2.8
95.08599	10.0
97.06532	1.2
97.10162	1.2
99.04456	1.2
101.84137	0.6
105.07034	2.9
107.04980	0.7
107.08596	3.1
109.06496	0.7
109.10162	4.7
110.57328	0.6
117.04644	0.7
118.60654	0.7
119.08559	1.6
121.10143	1.2
123.11674	1.1
133.10107	1.3
135.22873	0.7
137.31947	0.6
147.11740	1.0
161.13228	1.1
179.14336	1.6
185.13286	0.7
197.18385	0.7
221.15373	6.6
223.73958	0.7
279.08627	1.0
292.09561	3.8
293.09998	27.2
299.10703	1.0
305.10156	6.1
307.07758	9.5
315.11691	0.9
319.22675	0.9
320.09140	2.7
321.09503	35.9
322.07260	1.7
322.10281	34.9
336.12503	0.9
336.92145	0.7
337.09177	5.3
337.12634	100.0
337.23608	9.6
337.27805	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02077	0.3
66.62115	0.3
70.95568	0.3
84.43967	0.4
96.25136	0.4
139.17468	0.4
231.21251	0.4
246.24057	0.4
276.09753	1.3
279.08374	0.7
292.09680	3.3
293.10004	25.4
305.10037	4.7
306.07602	0.8
307.07986	8.3
320.09143	1.9
321.09531	34.7
322.10294	37.9
337.12631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95603	0.4
75.90306	0.4
89.11580	0.4
92.20901	0.5
147.87656	0.4
182.21573	0.5
194.51732	0.4
200.41930	0.4
276.09717	1.8
279.08398	0.6
292.09702	3.9
293.10001	27.0
305.09988	5.7
306.07550	0.8
307.07910	9.4
320.09250	1.8
321.05530	0.7
321.09521	36.9
322.10284	39.3
337.12619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
57.03437	2.9
57.07085	0.7
67.05511	7.3
69.07082	4.6
71.04988	0.4
75.02151	0.4
76.73799	0.6
79.05493	2.4
81.07070	8.8
83.04958	0.5
83.08604	2.7
91.05472	0.8
91.22260	0.5
93.07029	1.9
93.73463	0.5
95.04973	0.5
95.08600	7.8
97.10153	1.1
105.07038	0.6
107.08590	2.0
109.10165	4.6
119.08621	0.7
121.10132	1.1
123.11674	0.8
133.10146	1.0
135.11714	0.8
146.37482	0.5
147.11644	0.7
159.54755	0.5
165.86356	0.5
175.14709	0.5
183.90947	0.4
186.25403	0.4
245.22725	0.6
267.63513	0.5
279.08481	0.8
283.46832	0.5
292.09570	3.1
293.10004	27.7
305.09982	6.3
306.07626	0.7
307.07867	8.2
311.05371	0.5
320.09021	1.1
321.05615	0.8
321.09494	35.5
322.10269	36.5
329.11520	0.6
336.12244	0.7
337.09372	3.8
337.12592	100.0
337.27325	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1257
Annotation	Avicennone B
Peak:m/z	Relative Intensity
52.88919	0.4
67.59097	0.4
69.29945	0.4
77.80831	0.4
150.45311	0.4
185.02608	0.4
276.09680	2.2
279.08469	2.3
292.09546	4.8
293.06683	1.1
293.09995	30.5
305.10004	7.6
306.07590	0.9
306.10837	0.5
307.07947	11.9
319.07529	0.7
320.09238	2.3
321.09500	39.5
322.10269	34.7
337.12598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1261
Annotation	Avicennone B
Peak:m/z	Relative Intensity
69.21912	0.5
82.28659	0.5
86.59786	0.5
142.73782	0.5
186.22449	0.5
276.09796	1.8
279.08429	1.0
292.09671	4.7
293.10010	27.5
305.09943	5.3
306.07526	0.6
307.07861	8.4
320.09021	1.0
321.09506	36.1
322.10281	39.6
326.28241	0.5
337.12610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.143
Annotation	Hemileiocarpin
Peak:m/z	Relative Intensity
58.72819	1.5
58.75094	1.5
62.95102	1.4
66.54542	1.6
80.71148	1.4
91.64075	1.6
97.34419	1.5
115.05441	2.0
119.18166	1.8
119.97230	1.8
133.06499	2.1
136.05167	3.1
145.06540	2.4
151.07518	25.6
159.08031	1.9
160.03964	2.8
160.05196	47.2
161.05943	2.5
171.08044	1.5
175.07533	92.1
184.16087	1.7
199.07520	9.7
202.85239	1.7
231.07910	2.4
241.42651	1.8
243.08006	1.9
245.09679	7.0
246.10484	13.6
247.07474	7.0
259.07495	3.9
261.09076	2.8
262.09976	6.4
263.10568	3.7
273.09183	11.7
274.09903	21.6
275.07187	2.2
275.10684	12.4
277.12125	20.6
279.10104	2.2
289.08640	2.2
290.09372	8.9
291.10141	28.0
293.10031	3.4
294.12408	1.9
305.11823	27.0
306.12500	41.5
307.09753	12.1
321.09537	7.8
322.10529	9.7
337.14532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.6
55.01872	3.8
57.03443	2.8
58.88954	2.0
61.02934	3.7
65.06771	1.8
66.12739	2.2
67.11272	1.9
69.03435	26.7
70.06622	2.6
71.04995	4.5
73.02921	100.0
81.03431	26.7
83.05001	2.7
85.02916	59.6
85.06556	3.2
86.06112	2.0
91.03963	50.4
91.07320	2.4
95.04982	5.7
97.02888	27.5
99.04462	85.1
109.02873	17.9
109.06525	3.2
116.87422	2.0
117.05508	5.7
120.08166	2.5
121.06489	3.9
123.04426	2.4
127.03920	54.2
135.04446	3.3
139.03812	3.1
145.02849	3.7
145.04970	25.3
163.03911	55.7
217.07060	10.4
235.08138	13.2
261.09567	3.1
301.12384	4.2
319.13242	4.3
337.09058	30.5
337.13770	20.3
337.17786	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05658	12.9
68.31355	1.2
70.06237	2.1
70.06598	49.9
70.61964	1.1
72.08164	9.8
84.08134	9.3
85.02922	1.4
97.07627	1.9
98.06066	1.3
101.00933	1.1
103.02417	1.3
112.07601	2.2
112.08726	11.0
114.09171	6.6
114.10296	16.6
116.07069	10.4
119.01935	1.2
119.42650	1.5
127.02409	2.9
128.07072	6.2
130.08743	2.2
130.09763	9.5
131.01889	3.0
131.12921	1.4
134.06033	1.7
136.07721	1.6
139.02402	1.7
139.18808	1.1
143.01886	1.6
145.03464	24.3
150.09148	5.5
155.01935	14.8
157.03461	13.7
158.08128	2.6
158.09261	7.8
163.04550	1.5
167.01794	1.6
171.01404	10.5
173.02963	20.0
173.13962	2.1
175.04523	2.1
175.11909	13.1
177.06554	1.3
180.10118	1.4
183.01364	1.4
185.02997	4.8
187.04498	1.2
189.02457	9.7
198.11252	7.5
199.00912	4.7
201.02434	1.6
211.79652	1.3
214.10687	2.0
216.12376	2.5
217.01932	33.5
221.05072	2.9
224.10388	1.6
228.71033	1.4
229.01973	10.6
232.11897	4.3
235.02901	9.8
242.10205	7.6
247.02844	8.7
247.06595	1.9
253.11856	6.9
257.16077	1.5
260.11298	2.5
261.06799	1.4
275.06177	1.7
277.04028	2.5
294.05838	6.7
301.10556	1.4
301.14035	1.6
319.15768	6.3
337.08871	54.5
337.17145	100.0
355.08319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01878	2.6
55.05513	13.1
56.42838	1.3
57.03449	13.8
57.07089	18.7
61.02943	1.8
67.05511	13.9
69.03423	8.9
69.07073	16.0
71.01365	2.2
71.04987	9.5
73.02911	9.0
73.06538	1.6
74.09705	1.6
79.05500	25.3
81.03410	2.1
81.07063	32.2
83.04979	3.9
83.08616	7.2
85.02889	11.8
85.06555	21.3
91.05486	11.2
93.07056	17.0
95.04990	2.2
95.08619	11.6
97.06548	4.1
97.10188	2.3
99.04478	4.2
99.08112	2.2
103.03947	3.3
105.07014	2.0
107.08601	8.0
109.06548	18.1
110.31108	1.7
111.04415	2.6
111.08077	31.0
115.03918	3.8
123.08067	3.0
125.09650	3.6
127.07538	16.8
129.05453	2.6
129.09088	3.2
133.10143	38.2
135.08032	3.3
141.09102	2.6
149.09622	100.0
153.09114	20.3
171.10173	36.7
189.11246	19.4
198.63789	2.1
235.20500	1.6
293.10071	17.4
300.97842	1.7
307.08002	8.1
321.09390	25.9
322.10333	20.4
337.08777	2.8
337.12726	64.6
337.27390	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05520	16.4
56.56770	0.8
57.03442	10.0
57.07074	4.3
58.85620	0.8
67.05512	42.9
69.07066	25.2
79.05494	10.8
81.06615	1.8
81.07063	41.9
83.08642	9.6
90.69521	1.0
91.05481	3.9
93.07024	11.5
95.04974	1.1
95.08617	33.2
97.06528	1.5
97.10156	4.9
105.07017	5.7
107.08600	6.7
109.10173	13.3
119.08568	5.5
121.10130	6.6
123.11652	5.1
133.10100	4.9
135.11664	2.5
147.11700	1.9
149.13339	1.1
163.14824	2.0
169.08563	1.1
205.36852	1.2
293.10031	8.5
295.27469	1.3
305.09961	1.4
307.07706	2.4
309.09406	1.3
321.09421	13.6
322.10208	12.3
337.09113	2.6
337.12662	50.8
337.27365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.7
57.03447	11.6
57.07075	2.1
67.05179	1.6
67.05509	31.2
69.07071	20.7
71.94950	1.0
75.49907	0.9
79.05489	7.3
81.07057	40.5
83.08608	13.7
91.05480	5.0
93.07047	12.3
95.08601	37.1
97.06511	1.9
97.10136	5.2
97.10813	1.1
105.07006	4.1
107.08578	6.0
109.10146	17.7
111.08044	1.2
119.08566	2.2
121.10154	5.2
123.11666	4.9
125.64595	1.2
133.10127	5.0
135.11697	4.4
137.13235	2.2
137.87947	1.3
147.11694	2.2
161.13216	1.4
163.14795	1.8
202.64943	1.1
263.23654	2.1
293.09982	7.0
305.09738	1.3
307.07901	4.3
311.07999	1.1
321.09476	10.3
322.10294	13.2
337.12643	31.4
337.27328	100.0
343.70734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.9
57.03445	5.0
57.03668	0.6
57.07079	1.2
67.05177	1.0
67.05508	16.8
67.18990	0.6
69.07076	6.9
71.05007	0.7
79.05492	4.4
81.07056	19.8
83.08613	4.3
91.05492	1.6
93.07050	4.4
94.62167	0.6
95.08602	16.8
95.22398	0.7
97.10154	3.6
105.07025	2.4
107.08591	3.6
108.49166	0.6
109.10165	8.0
111.08072	1.0
119.08572	1.5
121.10116	2.5
123.11690	3.0
125.38934	0.6
133.10214	1.0
135.11697	1.0
147.11694	1.2
165.12892	0.7
276.09683	0.8
279.08340	0.7
292.09570	3.9
293.10062	20.5
300.09164	0.9
305.09970	4.9
307.07407	6.0
307.10715	2.5
308.10785	0.8
309.09576	1.0
315.61496	0.7
320.09183	2.6
321.09512	35.8
322.10291	33.7
329.11508	3.0
329.61505	0.9
336.12363	0.8
337.09283	4.2
337.12662	100.0
337.27505	39.3
337.63477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.3
57.03437	9.8
61.83624	1.7
67.05505	25.9
69.07078	22.1
79.05474	2.7
81.07057	37.0
83.08625	10.3
91.05511	2.5
93.07031	7.9
95.08606	37.4
96.93798	1.8
97.06474	2.0
97.10159	2.6
104.01871	1.9
105.07016	3.1
107.08622	7.3
109.10167	20.9
121.10145	10.6
123.11710	7.9
125.84076	1.9
135.11700	2.3
147.11720	2.1
161.13197	2.7
189.00552	8.5
223.94849	2.2
245.22762	2.9
263.23676	7.8
292.35690	2.1
293.09998	12.1
307.07910	3.6
321.09631	14.0
322.10327	18.2
337.12692	59.9
337.16611	4.9
337.27365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25523	1.4
55.05507	1.9
59.06126	2.2
59.48846	1.8
59.59666	1.4
65.82072	1.4
67.05495	4.0
69.07058	7.7
71.49033	2.0
73.86730	1.5
77.63089	1.5
81.07055	7.5
83.08620	3.0
83.37147	1.6
86.49753	1.6
87.15695	1.6
93.07010	2.4
95.08594	7.6
96.08131	2.7
96.40601	2.0
98.09638	1.9
109.10150	3.1
110.09680	2.5
154.12280	1.9
160.57578	2.0
181.17010	2.3
198.14908	2.6
224.16277	3.0
250.25237	2.6
278.24765	3.8
292.09351	2.4
293.09970	10.4
296.25961	3.2
296.29413	1.8
302.24579	5.8
303.74588	1.9
305.10120	2.1
307.07919	3.3
310.27383	9.3
319.27417	19.0
321.09518	13.4
322.10294	15.8
327.79309	2.0
337.09082	4.8
337.12634	43.4
337.19766	2.7
337.28467	100.0
337.32019	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25523	1.4
55.05507	1.9
59.06126	2.2
59.48846	1.8
59.59666	1.4
65.82072	1.4
67.05495	4.0
69.07058	7.7
71.49033	2.0
73.86730	1.5
77.63089	1.5
81.07055	7.5
83.08620	3.0
83.37147	1.6
86.49753	1.6
87.15695	1.6
93.07010	2.4
95.08594	7.6
96.08131	2.7
96.40601	2.0
98.09638	1.9
109.10150	3.1
110.09680	2.5
154.12280	1.9
160.57578	2.0
181.17010	2.3
198.14908	2.6
224.16277	3.0
250.25237	2.6
278.24765	3.8
292.09351	2.4
293.09970	10.4
296.25961	3.2
296.29413	1.8
302.24579	5.8
303.74588	1.9
305.10120	2.1
307.07919	3.3
310.27383	9.3
319.27417	19.0
321.09518	13.4
322.10294	15.8
327.79309	2.0
337.09082	4.8
337.12634	43.4
337.19766	2.7
337.28467	100.0
337.32019	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0656
Annotation	Sauvagnine
Peak:m/z	Relative Intensity
50.38544	0.3
62.14085	0.2
70.13367	0.3
81.07079	0.3
121.06487	0.3
141.09070	0.5
192.41913	0.3
234.99054	0.4
235.99162	0.4
254.08151	1.2
268.05908	0.7
292.06015	6.5
294.07645	0.7
296.02698	0.3
296.05640	1.8
307.04587	0.5
310.07059	21.1
320.05511	12.6
320.08276	0.3
321.05896	0.5
322.10699	0.7
323.11493	1.8
338.06549	100.0
338.09604	4.0
338.13660	5.8
349.28088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38544	0.3
62.14085	0.2
70.13367	0.3
81.07079	0.3
121.06487	0.3
141.09070	0.5
192.41913	0.3
234.99054	0.4
235.99162	0.4
254.08151	1.2
268.05908	0.7
292.06015	6.5
294.07645	0.7
296.02698	0.3
296.05640	1.8
307.04587	0.5
310.07059	21.1
320.05511	12.6
320.08276	0.3
321.05896	0.5
322.10699	0.7
323.11493	1.8
338.06549	100.0
338.09604	4.0
338.13660	5.8
349.28088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45692	3.1
63.82919	2.9
64.38143	3.2
86.09686	3.7
101.61574	3.0
114.80262	3.4
124.59659	3.2
131.01657	28.5
159.04735	23.7
164.07007	3.7
172.53241	3.5
176.07059	97.4
219.27194	3.9
245.29221	3.5
287.87415	3.5
320.11688	20.8
322.10657	7.2
338.09958	100.0
338.13434	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1017
Annotation	Artabonatine E
Peak:m/z	Relative Intensity
52.43158	0.5
52.63926	0.5
53.42894	0.5
53.63725	0.5
55.05481	0.7
59.19107	0.6
67.05505	2.5
80.94903	0.7
81.07054	1.4
95.08608	0.9
202.00298	0.7
283.85794	0.7
292.09515	1.0
294.10837	2.9
308.05438	14.6
308.08701	1.7
322.06992	2.3
322.10477	4.1
323.07864	72.5
323.11301	7.0
338.10153	100.0
338.13702	13.4
338.27670	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1021
Annotation	Oxosarcocapnine
Peak:m/z	Relative Intensity
50.49777	0.8
54.69565	1.0
58.89564	0.9
60.35515	0.9
70.08957	0.9
70.71351	1.0
71.53210	1.0
276.06418	1.5
277.07086	0.9
292.06119	1.5
294.07559	8.0
294.11154	8.9
304.06088	6.6
305.06741	14.2
306.11218	2.5
308.05496	23.9
308.09116	6.6
320.05679	1.5
321.06348	2.4
322.07028	16.1
322.10599	14.3
323.07806	19.3
323.11459	20.7
336.08615	10.6
338.10162	100.0
338.13803	48.4
338.26630	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1022
Annotation	Oxocularine
Peak:m/z	Relative Intensity
53.52196	0.3
60.30628	0.4
64.90224	0.4
76.31602	0.4
85.15355	0.5
87.12585	0.4
104.79189	0.4
111.45844	0.4
125.55337	0.4
136.06165	0.8
140.58125	0.4
277.07327	2.4
293.06784	0.6
294.07495	6.6
295.08371	2.1
308.05481	0.6
310.10699	22.3
322.07068	16.3
322.10788	0.6
323.07898	9.3
338.10187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1019
Annotation	Oxocularine
Peak:m/z	Relative Intensity
62.57994	0.2
92.21500	0.3
116.10742	0.2
233.02985	0.3
243.08908	0.2
266.08127	1.1
277.07352	1.5
278.08197	0.5
293.06906	0.4
294.07623	8.6
294.11185	2.1
295.08215	2.0
305.06491	0.3
306.07809	1.0
306.11093	0.4
307.08493	0.4
308.05716	0.7
308.09106	5.1
309.06201	0.4
310.10727	20.5
322.07108	16.2
322.10745	3.6
323.03943	0.4
323.04877	0.3
323.07864	12.2
323.11554	8.7
338.10226	100.0
338.13873	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.102
Annotation	Oxocularine
Peak:m/z	Relative Intensity
50.83675	0.3
58.14378	0.3
59.47423	0.3
62.18555	0.3
62.48934	0.3
65.50529	0.3
72.45914	0.3
80.39458	0.3
151.24365	0.4
159.17705	0.4
278.08289	1.3
295.08304	1.7
305.06827	0.7
306.07617	7.8
310.07172	0.6
310.10757	1.8
320.09290	3.6
322.10580	0.4
323.07858	25.0
323.11334	2.0
338.10147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1021
Annotation	Roelactamine
Peak:m/z	Relative Intensity
51.70262	0.4
65.46964	0.5
88.76719	0.5
110.95162	0.5
121.71413	0.5
177.41852	0.5
205.71582	0.4
224.34845	0.5
227.18367	0.6
230.64990	0.5
294.11026	3.2
306.11227	2.2
308.05566	19.7
308.09106	2.6
320.09125	1.7
322.06976	1.9
322.10535	5.4
323.07883	100.0
323.11343	9.7
325.74036	0.5
338.10193	53.9
338.13785	19.1
338.25235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1021
Annotation	Oxocularine
Peak:m/z	Relative Intensity
71.12150	0.2
95.08568	0.3
99.04439	3.2
117.34431	0.3
121.06468	0.4
125.69877	0.3
136.06213	0.4
141.09117	1.9
159.10078	0.4
181.19028	0.4
294.07626	0.7
295.08380	6.0
303.10657	0.4
308.05511	0.4
310.07379	0.4
310.10590	2.3
323.07864	43.8
338.06738	5.8
338.10193	100.0
338.19077	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.102
Annotation	Oxocularine
Peak:m/z	Relative Intensity
56.29211	0.3
56.65636	0.3
61.67344	0.3
65.82942	0.4
66.72638	0.3
87.65989	0.4
118.99821	0.3
141.09116	0.5
267.08829	0.6
293.07001	0.6
294.07538	1.5
295.08417	6.4
310.07095	2.4
310.10779	2.4
322.07138	0.5
322.10895	0.5
323.07901	39.4
323.11343	2.1
338.10211	100.0
338.13641	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.102
Annotation	Artabonatine E
Peak:m/z	Relative Intensity
64.63101	0.4
73.47346	0.4
106.51373	0.4
108.24634	0.4
253.02327	0.5
292.09680	0.8
294.07263	0.5
294.10916	4.2
306.11023	2.0
307.11917	0.6
308.05582	17.9
308.09058	3.0
320.09146	3.1
322.06937	1.4
322.10580	7.8
323.07874	100.0
323.11206	7.6
338.10196	57.1
338.13763	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1234
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
58.06610	0.4
60.08164	0.6
67.04238	1.4
85.02876	0.7
87.69352	0.4
92.02478	0.4
102.66210	0.3
103.24436	0.3
121.06535	0.5
125.01676	3.4
126.02478	0.5
127.03240	1.5
131.01656	0.5
136.06207	0.7
136.18741	0.4
148.07549	0.5
159.04726	0.4
176.07063	100.0
206.10452	0.8
207.94714	0.4
216.34941	0.4
235.05394	3.3
248.09219	1.3
294.12814	3.5
306.11411	0.6
307.11987	0.8
308.09363	0.4
322.10651	0.9
323.11374	0.5
331.86011	0.4
338.12231	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1233
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.81654	0.4
61.53212	0.3
62.78538	0.4
68.93111	0.4
85.02917	0.6
91.05506	0.3
97.06557	0.4
121.06491	0.5
123.04482	0.5
128.31996	0.3
131.01645	3.6
137.05986	3.9
159.04720	3.5
161.05991	0.7
176.07063	100.0
201.05463	0.8
203.06993	0.4
229.04950	0.8
229.08510	0.5
243.06592	0.6
246.07561	1.5
267.06619	0.4
278.10034	0.5
304.09515	0.5
306.11252	0.5
320.11542	1.8
322.10638	1.6
323.11346	2.9
338.12347	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04829	0.2
79.12211	0.3
89.46600	0.2
90.67475	0.2
100.52459	0.3
153.35930	0.2
155.09055	0.3
173.89758	0.3
185.35817	0.2
266.10855	0.4
292.09119	0.5
293.09680	2.5
294.10300	7.0
295.10754	0.4
306.10336	0.3
308.08673	0.3
308.12469	0.3
310.13376	2.1
321.09485	2.7
322.09744	31.7
323.10556	9.9
336.11353	0.5
338.12885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
51.62871	0.3
71.33747	0.3
72.07790	0.4
84.75130	0.4
105.16239	0.4
124.54324	0.4
154.05139	0.4
191.05801	0.4
208.38866	0.3
218.51120	0.4
221.25380	0.3
233.71710	0.3
277.10153	1.5
279.08566	0.6
280.08798	0.7
292.09750	2.9
293.09903	4.4
294.10297	21.0
304.09879	0.4
306.10355	5.3
307.07901	2.0
308.08249	10.0
309.13098	0.9
320.08304	0.4
321.09491	1.4
321.12973	0.4
322.09848	36.7
323.10648	36.9
337.12503	3.0
338.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
81.19899	0.2
121.58569	0.2
150.76163	0.3
180.80527	0.2
205.17529	0.3
206.06096	0.2
250.08789	0.3
265.07388	0.5
277.11066	1.8
279.08865	3.8
280.09662	2.9
291.08551	0.3
293.10364	1.3
294.11234	31.9
296.94385	0.2
306.11243	7.0
307.08423	1.3
308.09158	15.2
322.10718	39.2
323.11502	42.3
338.13837	100.0
355.81436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90875	0.2
107.45392	0.2
130.59369	0.2
159.64732	0.2
164.98790	0.2
184.87086	0.2
265.07336	0.4
277.10962	1.5
279.08945	3.5
280.09619	2.8
293.10342	0.9
294.11240	31.1
306.11224	7.3
307.08493	1.7
307.11847	0.3
308.09180	16.6
309.09891	0.4
322.06744	0.5
322.10733	40.9
323.11514	43.8
338.13849	100.0
359.24509	0.2
363.38815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1382
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
50.32468	0.8
66.10928	1.0
76.99401	0.8
95.32132	0.9
112.22943	1.1
155.49373	1.0
179.82549	1.0
188.09309	1.0
195.40907	1.0
291.09436	1.2
294.11337	1.8
306.11276	12.0
307.08389	4.4
308.09286	7.3
322.10709	76.2
323.11496	65.1
338.13815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
54.48772	0.5
56.98020	0.4
65.62994	0.4
81.20584	0.4
84.14864	0.5
85.30621	0.4
85.80982	0.5
88.33827	0.4
89.04480	0.4
92.94403	0.5
123.17482	0.4
139.89699	0.5
159.16127	0.5
161.69711	0.4
237.09283	0.6
249.09140	0.6
263.07028	0.7
278.11670	3.4
284.86777	0.5
289.08591	0.6
294.11346	0.8
295.09637	2.0
306.11230	11.2
307.08368	5.8
307.11682	1.0
308.09146	4.6
321.10010	1.0
322.10736	79.7
323.11520	66.0
334.96399	0.5
336.12207	1.0
338.13849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04934	0.1
63.13808	0.1
73.61435	0.2
73.61841	0.2
79.15453	0.2
100.39697	0.2
142.01402	0.2
236.07050	0.4
265.07501	0.4
277.11026	1.7
279.08926	3.0
280.09705	2.1
293.10458	1.2
294.11234	28.7
306.11230	5.9
307.08377	1.3
307.11758	0.2
308.09164	15.8
322.10727	37.6
323.11508	38.2
338.13843	100.0
362.54654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86155	0.1
77.47623	0.2
166.31654	0.1
186.82494	0.2
226.32027	0.1
236.07056	0.2
250.08569	0.3
265.07355	1.0
277.10947	1.8
278.08023	0.2
279.08844	3.4
280.09641	2.6
291.08945	0.2
293.10425	1.0
294.11240	30.2
306.11221	6.7
307.08401	1.7
307.11826	0.4
308.09161	15.6
309.10028	0.6
322.10730	36.8
323.11517	42.5
338.13852	100.0
344.25958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46412	0.2
67.94670	0.2
69.35311	0.2
90.15122	0.2
110.07780	0.2
117.32676	0.2
141.62364	0.2
143.06506	0.2
227.82652	0.2
236.07172	0.2
250.08601	0.2
265.07126	0.2
277.10944	1.7
279.08881	3.3
280.09625	2.2
293.10449	1.1
294.11227	28.6
306.11234	7.7
307.08218	1.3
307.11557	0.2
308.09131	14.3
309.10144	0.3
322.10721	36.8
323.11496	40.7
338.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51618	0.1
54.88428	0.1
56.00428	0.1
73.29573	0.1
117.36830	0.1
120.59045	0.1
177.37714	0.1
236.06992	0.3
250.08804	0.1
262.08789	0.2
265.07346	0.7
277.11053	1.7
278.08005	0.2
279.08838	3.2
280.09619	2.6
291.09021	0.2
293.10495	1.2
294.11227	29.6
306.11237	6.8
306.14758	0.2
307.08377	1.3
307.11777	0.3
308.09155	16.2
309.09900	0.7
320.09045	0.2
322.10721	40.0
323.11502	39.2
338.13840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
51.26426	0.2
60.45522	0.2
80.62672	0.2
89.38754	0.2
121.42802	0.2
146.80327	0.2
148.06412	0.2
149.76762	0.2
156.55113	0.2
176.36046	0.2
236.06979	0.3
262.08301	0.3
265.07425	1.0
277.11020	2.1
278.08188	0.3
279.08881	4.3
280.09616	3.6
293.10352	1.6
294.11230	34.0
306.11234	8.2
307.08432	1.9
307.11588	0.3
308.09158	18.0
320.09256	0.3
322.10724	44.1
323.11499	45.5
338.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1381
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
51.64568	0.9
52.65693	0.7
53.09970	0.7
53.99213	0.7
55.91908	0.8
57.41126	0.9
77.26396	0.8
82.59218	0.8
130.65460	0.9
163.06970	1.0
177.09576	0.9
191.82610	0.9
278.11810	2.0
295.09848	1.4
306.11215	12.1
307.08429	5.4
307.11938	1.1
308.09213	5.9
321.09915	1.2
322.10742	84.1
323.11508	72.4
338.13852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03121	0.1
57.66076	0.2
61.47907	0.2
65.01701	0.2
117.00719	0.2
191.07234	0.2
209.49423	0.2
236.06892	0.3
250.08693	0.2
264.18835	0.2
265.07336	0.4
277.11014	1.8
279.08868	3.9
280.09662	3.1
293.10452	0.8
294.11227	29.0
306.07892	0.4
306.11234	8.1
307.08582	1.6
307.11868	0.3
308.09155	16.4
309.09811	0.7
320.09058	0.2
322.10718	39.3
323.11496	40.3
338.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29822	0.2
59.25423	0.2
88.29975	0.2
166.46045	0.2
250.78926	0.3
277.10962	1.0
279.08887	2.8
280.09659	1.8
291.09000	0.4
293.10455	1.3
294.11230	28.4
306.11197	6.3
307.08447	0.5
307.11911	0.4
308.09152	13.9
309.10010	0.3
322.06802	0.3
322.10727	34.9
323.11502	44.1
338.13843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46412	0.2
67.94670	0.2
69.35311	0.2
90.15122	0.2
110.07780	0.2
117.32676	0.2
141.62364	0.2
143.06506	0.2
227.82652	0.2
236.07172	0.2
250.08601	0.2
265.07126	0.2
277.10944	1.7
279.08881	3.3
280.09625	2.2
293.10449	1.1
294.11227	28.6
306.11234	7.7
307.08218	1.3
307.11557	0.2
308.09131	14.3
309.10144	0.3
322.10721	36.8
323.11496	40.7
338.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Dihydroberberine
Peak:m/z	Relative Intensity
51.95946	0.1
59.50194	0.1
72.12193	0.1
79.02165	0.2
167.55702	0.2
185.83893	0.2
195.25545	0.1
209.42416	0.2
236.07082	0.3
237.07790	0.2
261.07721	0.2
262.53970	0.2
265.07401	0.4
277.10931	1.8
279.08871	3.4
280.09644	3.0
291.08731	0.2
293.07370	0.2
293.10339	1.1
294.11224	33.0
306.11230	7.4
306.14728	0.3
307.08353	1.5
307.11572	0.2
308.09152	17.6
309.10062	0.7
320.09390	0.3
322.10718	40.8
323.11499	44.7
338.13834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76283	0.5
53.03946	1.3
56.76099	0.6
56.87078	0.5
60.12758	0.5
69.03421	3.1
71.04987	0.6
73.02912	9.8
81.03434	7.1
85.02902	3.6
90.94250	0.6
97.02883	9.9
99.04456	100.0
107.08587	0.6
109.02859	7.2
111.04457	0.7
121.06504	23.2
127.03906	8.1
141.05487	2.5
145.05003	1.0
152.10680	1.0
159.06517	1.5
162.05533	0.6
171.06541	0.6
173.05992	0.7
176.06999	1.0
177.05424	0.9
182.11766	1.0
202.52956	0.6
223.94391	0.6
225.07579	1.2
243.08612	10.0
267.08533	1.3
285.09647	11.7
292.09839	0.8
292.15390	0.7
294.11218	1.3
303.10739	12.9
320.08972	1.0
320.18454	2.5
322.10651	2.7
323.07990	1.3
323.11459	5.1
338.06387	1.3
338.10144	14.9
338.13916	13.1
338.19595	23.2
342.88831	0.6
363.25076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67978	0.7
58.06605	1.6
69.03411	1.0
70.06619	0.8
85.02914	1.1
85.80582	0.7
87.61517	0.7
91.05493	0.8
93.07064	5.3
95.08611	1.2
103.05498	1.0
110.06029	0.7
114.98856	1.0
116.81910	0.7
120.08102	1.6
121.06516	100.0
123.08092	1.3
136.06049	0.9
137.05977	1.4
141.09113	3.7
142.38821	0.8
151.85558	0.7
158.65247	0.8
159.10167	5.1
160.38403	0.8
164.07088	1.1
166.08607	1.1
166.98785	0.7
168.30263	0.8
169.66185	0.8
176.06985	1.1
192.91301	0.9
200.09212	1.7
206.08356	1.0
218.10278	5.9
226.09492	0.7
292.06024	3.8
294.10837	0.9
294.16830	0.8
296.05606	0.9
306.11179	1.5
307.11963	1.4
308.09421	0.7
310.07224	8.8
320.05493	5.1
320.15033	0.9
322.10782	3.6
323.08023	1.5
323.11517	8.0
333.69623	0.9
338.06689	36.7
338.16574	45.9
338.19772	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70156	0.6
62.40789	0.7
70.83772	0.7
82.37252	0.7
85.06506	0.8
92.33242	0.8
95.08604	1.5
97.06497	0.8
214.35574	0.8
279.09109	1.1
294.11261	10.5
304.09323	1.0
306.11240	3.7
307.12274	1.3
308.09094	6.9
321.24304	1.5
322.07040	1.6
322.10660	16.5
323.07892	3.3
323.11475	18.1
338.10037	8.5
338.13773	46.8
338.26645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91658	0.5
82.21310	0.7
93.20951	0.7
94.69042	0.8
94.79968	0.8
109.16451	0.6
141.15971	0.6
144.13766	0.6
257.59354	0.8
264.07919	0.6
294.11206	1.1
322.10645	3.0
323.11618	4.8
338.09903	1.9
338.13635	11.2
338.26636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
66.66230	1.0
70.33162	0.8
81.07076	3.6
89.45271	1.1
95.08600	1.1
97.24916	1.0
101.16936	1.0
101.80611	1.0
137.02393	2.2
191.57315	1.0
209.48090	1.3
280.06042	5.0
294.07938	1.6
294.11111	9.4
306.11090	2.0
307.11917	1.8
308.09012	6.2
320.25815	1.4
321.24234	1.6
322.10648	19.7
323.07846	3.5
323.11432	23.1
338.06738	23.2
338.10632	2.9
338.13702	60.5
338.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87212	0.5
57.15370	0.4
70.27878	0.6
82.33926	0.5
95.08626	0.7
128.79132	0.6
160.73129	0.6
190.05042	0.9
197.81599	0.6
279.08826	0.8
294.07669	1.8
294.11072	9.0
304.06052	2.7
304.09427	0.7
305.06808	4.3
306.10986	4.4
307.08237	3.3
307.11923	2.3
308.05441	5.2
308.09128	8.6
322.07077	3.9
322.10623	24.9
323.07813	7.3
323.11426	52.7
336.08542	2.6
338.10120	24.6
338.13773	100.0
338.26639	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
66.66230	1.0
70.33162	0.8
81.07076	3.6
89.45271	1.1
95.08600	1.1
97.24916	1.0
101.16936	1.0
101.80611	1.0
137.02393	2.2
191.57315	1.0
209.48090	1.3
280.06042	5.0
294.07938	1.6
294.11111	9.4
306.11090	2.0
307.11917	1.8
308.09012	6.2
320.25815	1.4
321.24234	1.6
322.10648	19.7
323.07846	3.5
323.11432	23.1
338.06738	23.2
338.10632	2.9
338.13702	60.5
338.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09933	1.2
55.01874	7.9
55.05508	12.1
56.05844	1.7
57.03434	8.0
57.07078	12.7
67.05507	35.6
68.05827	3.5
69.07069	33.5
70.07384	2.0
71.04984	1.9
71.08636	1.5
78.25546	1.5
79.05509	11.9
81.07057	43.0
82.07393	10.2
83.04972	2.6
83.08614	14.9
85.10192	24.1
91.05466	8.9
93.07034	17.2
94.07366	3.4
95.04973	13.5
95.08606	37.8
96.08944	9.5
97.06570	5.1
97.10168	6.2
99.04424	2.0
99.08106	2.3
105.07015	7.9
107.08607	15.3
108.08944	1.8
109.06526	2.1
109.10164	15.8
110.10510	3.2
111.08060	2.0
113.09637	15.8
117.07065	1.5
119.08577	12.2
121.06498	2.7
121.10148	15.5
123.08032	2.3
123.11687	6.2
124.15598	1.4
124.49559	1.5
131.08595	2.4
133.10083	11.0
135.08022	2.1
135.11708	5.3
137.09634	1.8
139.11121	3.5
139.58504	1.6
145.10138	2.3
147.11687	5.9
149.09619	3.1
149.13327	1.4
151.11176	2.1
155.10625	2.8
161.13321	2.7
163.11189	1.9
163.14851	2.5
165.12703	13.5
173.13297	3.2
177.12692	2.1
179.14262	1.8
181.12271	8.9
198.14894	2.7
205.15913	2.6
251.16309	2.2
275.23700	22.9
293.24695	13.3
294.11136	10.6
303.23151	19.3
306.11356	2.2
308.09137	7.4
320.25854	18.7
321.24237	79.3
322.10635	15.3
323.07816	5.3
323.11481	18.5
338.10056	10.4
338.13773	53.2
338.27518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25982	1.7
55.01874	9.8
55.05509	16.9
57.03443	3.9
57.07085	12.8
64.09908	2.0
64.87850	2.0
67.05502	28.8
68.05824	4.0
69.07069	32.3
70.07410	2.4
70.40894	1.9
70.74944	2.4
71.10558	1.9
74.75365	2.0
75.63485	2.2
79.05495	13.7
81.03399	2.5
81.07071	33.6
83.04993	2.7
83.08637	11.9
85.06548	3.5
85.10188	23.8
91.05472	2.6
91.31046	2.1
93.07044	17.2
95.04972	14.4
95.08614	30.6
96.08925	2.9
105.07035	4.7
107.04997	2.6
107.08594	14.0
109.10165	14.6
110.10508	3.6
113.09623	16.7
119.08600	5.2
121.10143	12.8
123.11633	3.9
133.10115	8.8
135.11710	3.3
135.76563	2.3
145.10109	2.8
147.11723	3.5
154.01868	2.5
155.10677	4.0
165.12773	14.3
181.12358	5.1
275.23657	18.8
293.24631	11.7
294.11215	22.3
303.23206	15.2
306.11078	3.4
307.12198	2.8
308.09158	9.9
320.25809	18.4
321.24261	68.2
322.07159	2.9
322.10718	33.7
323.11435	47.9
338.09961	11.5
338.13797	100.0
338.27335	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.6
55.05739	1.1
58.88190	1.0
62.06093	94.8
67.05505	16.4
69.07065	11.3
70.29382	1.1
79.05489	11.6
81.03415	13.4
81.07060	15.9
83.04984	5.0
83.08617	4.9
91.05471	5.0
93.07044	12.3
95.04969	11.6
95.08597	7.0
97.10147	2.2
105.07036	5.6
107.08571	9.7
109.10139	10.1
110.50397	1.1
115.04315	1.1
119.08585	2.3
121.10075	2.3
123.11682	1.8
123.76608	1.0
124.11238	12.1
125.09640	2.3
133.10100	6.0
135.11700	2.6
147.11732	1.9
151.11147	13.7
154.50951	1.2
161.13177	1.1
163.14816	1.5
165.12764	2.7
182.89854	1.2
196.13318	44.2
214.14363	45.4
259.20679	1.2
277.21631	11.9
279.08881	1.1
294.11203	14.6
306.11127	8.7
307.11810	1.4
308.05612	1.8
308.09000	10.0
310.10211	1.3
320.22897	4.3
320.25900	52.1
321.24182	2.6
322.06931	1.8
322.10587	25.6
323.07748	10.9
323.11444	41.6
338.10043	26.0
338.13742	87.3
338.23926	17.8
338.26926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2684
Annotation	Melophlin H
Peak:m/z	Relative Intensity
55.01886	2.0
55.05512	6.9
57.03442	2.3
57.07083	10.4
67.05495	8.9
68.05835	1.4
69.07060	6.4
71.08631	1.4
76.83968	1.1
79.05484	3.3
81.07073	12.6
83.08615	3.3
91.05474	2.6
93.07032	7.9
95.04977	2.9
95.08608	10.9
95.54729	1.3
96.08921	3.2
97.10126	1.7
102.82946	1.5
105.27959	1.4
107.08617	2.7
109.10181	6.5
110.73305	1.2
112.46590	1.4
119.08610	1.6
121.10166	5.4
123.11755	1.8
126.13481	1.5
133.10130	3.2
149.13269	1.5
153.12752	1.4
169.84650	1.6
177.12685	2.4
207.13817	1.4
230.22034	1.6
280.09641	1.8
294.11142	19.5
303.23239	2.7
306.11166	3.3
307.08325	1.8
308.05612	2.0
308.08966	9.8
310.10696	1.6
320.25818	7.1
321.09338	1.5
321.24261	22.4
322.10690	34.7
323.07822	7.5
323.11432	46.7
327.76877	1.3
338.10175	12.7
338.13797	100.0
338.27429	30.2
348.91531	1.6
349.50034	1.5
357.38654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Melophlin H
Peak:m/z	Relative Intensity
56.99338	0.7
57.03458	0.9
57.07076	2.1
61.68894	0.8
67.05495	2.0
69.07076	2.1
71.08648	1.4
79.05502	1.4
81.07063	5.0
85.08142	0.8
93.07055	3.4
94.75403	0.9
95.08599	4.6
97.42569	0.8
105.02600	1.0
107.08604	1.0
109.10152	1.8
118.47568	0.9
119.08585	1.4
121.10146	1.3
135.11771	1.3
154.30386	0.8
163.11166	1.4
187.11258	0.8
250.49202	0.9
275.23730	1.7
293.10284	3.4
294.11096	20.9
303.23145	3.6
306.11145	8.8
307.08429	1.2
308.09064	11.3
320.25912	5.8
321.09756	1.2
321.24185	8.8
322.10492	30.7
323.07559	1.8
323.11325	41.5
338.13696	100.0
338.26868	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.4
56.05797	0.8
57.03415	1.1
57.07073	4.0
60.35822	0.9
60.54671	0.8
67.05515	15.6
69.07072	7.3
70.17346	0.9
71.04996	1.8
71.08631	13.6
79.05490	5.8
81.03401	2.2
81.07059	20.0
82.07407	1.5
83.04998	1.4
83.08620	4.7
85.02895	1.3
86.43632	0.9
91.05490	6.2
93.07048	9.2
94.69598	0.9
95.04977	6.2
95.08606	19.6
97.06525	2.4
99.04472	1.1
99.08121	9.5
105.07037	8.0
107.08601	7.7
109.10139	10.3
110.10529	0.9
111.82640	0.9
117.07057	1.4
119.08557	7.4
121.06542	1.1
121.10161	4.8
123.11727	4.9
125.09505	1.0
131.08597	4.9
133.10129	6.5
135.11690	1.3
137.09644	5.8
139.11218	1.6
145.10127	2.3
147.11708	5.5
149.13248	1.3
151.11185	57.7
155.10616	4.3
161.13173	1.2
165.12750	5.9
171.11646	2.4
173.13184	1.0
177.12775	2.1
180.14525	1.3
182.15543	1.2
187.14789	4.0
191.14323	2.5
205.15880	7.6
223.31421	1.2
275.23871	1.1
280.09702	1.2
285.22098	1.8
286.39297	1.5
293.10287	1.4
294.11276	13.0
303.23196	23.5
306.11111	7.3
307.08621	1.4
307.12067	4.0
308.05710	1.8
308.09076	10.4
320.25821	75.4
321.24231	24.5
322.10626	29.8
323.07773	7.8
323.11411	52.0
338.10147	11.4
338.13791	100.0
338.27182	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08970	0.9
55.05524	2.1
55.09497	0.9
62.06095	68.6
67.05508	14.4
69.07082	9.0
79.05490	10.1
81.03419	6.9
81.07059	11.8
82.07368	1.5
83.04987	4.4
83.08615	1.7
91.05486	1.8
93.07047	6.0
95.04968	6.8
95.08601	6.8
97.10180	2.4
99.84560	1.0
105.07002	2.4
107.04972	1.0
107.08597	9.2
108.16533	1.1
109.10180	2.7
119.08543	2.5
121.10130	1.9
124.11233	8.8
133.10161	2.1
135.11647	2.0
143.07536	1.2
147.11725	1.7
147.84398	1.1
151.11124	8.3
161.13237	1.4
170.11746	2.6
171.11604	1.2
175.14822	1.4
196.13341	37.8
214.14368	31.5
240.43362	1.2
277.21616	6.7
279.08960	1.8
294.11136	12.8
306.11160	5.9
308.05704	1.2
308.09225	10.1
320.25806	33.2
322.10629	24.8
323.07852	12.3
323.11459	43.4
338.10120	12.8
338.13766	100.0
338.26913	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2688
Annotation	Melophlin J
Peak:m/z	Relative Intensity
52.23301	0.7
53.03962	0.9
55.05511	5.5
56.05050	1.7
58.06614	1.5
58.42438	0.9
67.05510	11.6
68.35660	0.7
69.07066	6.8
70.06593	9.7
75.59482	0.8
79.05499	5.5
81.07077	13.6
83.08614	1.9
84.08144	3.6
86.09695	8.5
91.05454	1.4
93.07038	7.0
95.08598	12.0
96.08125	1.3
97.10153	1.5
105.07005	1.3
107.08598	5.6
109.10145	6.9
111.08081	1.0
119.08587	5.3
121.10140	6.0
126.12791	7.8
131.08638	0.9
135.11705	1.7
157.14737	0.9
166.15843	2.7
182.15347	6.9
200.16504	6.4
222.18610	3.8
232.55635	1.0
240.19589	7.6
257.18579	1.1
257.42197	0.9
280.22662	8.7
294.10965	1.4
294.24286	3.7
303.23224	1.5
306.10837	1.1
308.09058	1.3
320.25922	10.2
322.10648	6.3
323.07974	1.4
323.11282	7.9
338.10172	3.3
338.13779	17.7
338.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35181	1.0
55.05519	8.9
57.03440	4.8
57.07070	5.8
62.06097	49.6
62.06419	1.9
66.81611	1.2
67.05508	19.0
68.05839	2.3
69.07066	14.3
70.07439	1.3
71.08632	19.2
78.28104	1.3
79.05511	9.5
79.45725	1.2
81.07063	20.7
81.43509	1.1
82.07386	2.9
83.08610	6.4
85.06548	4.9
91.05505	2.3
92.05817	1.5
93.07055	12.6
94.07387	1.5
95.04976	1.1
95.08609	16.8
96.08948	2.0
97.06480	1.6
97.10172	2.6
99.08091	12.5
105.07038	5.4
107.08593	6.6
109.10146	2.7
119.08543	5.7
121.10126	4.9
123.11694	1.3
133.10124	2.8
135.11693	2.7
137.09612	13.8
141.09065	1.4
145.10181	1.7
147.11678	1.7
151.11140	4.7
161.13260	2.3
171.11659	1.4
179.14285	5.9
222.18518	11.4
240.19553	9.3
250.66116	1.1
294.11179	13.6
303.23273	4.9
306.11145	7.3
307.08496	1.6
307.12039	2.1
308.05438	6.4
308.09207	7.5
320.25827	55.3
321.24225	6.9
322.10669	25.9
323.07837	30.0
323.11456	50.6
338.10141	40.6
338.13803	100.0
338.27203	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.1
56.05853	5.1
57.03447	10.6
57.03667	1.2
57.07063	2.8
66.66502	1.2
67.05512	23.6
68.05837	10.3
69.07073	20.8
69.15145	1.2
70.07392	5.2
71.08631	2.1
79.05491	6.5
80.05840	2.0
81.06613	1.7
81.07063	31.7
82.07397	12.4
83.08607	9.7
91.05489	1.6
93.07033	7.8
94.07394	1.3
95.08607	31.6
96.08938	10.6
97.10182	1.6
98.10490	1.6
99.08099	2.6
105.07071	2.3
107.08598	6.7
109.10155	12.7
110.10498	6.8
119.08553	2.0
119.56958	1.3
121.10133	2.6
123.11710	2.3
124.12036	3.0
131.78223	1.3
135.11708	1.6
136.95403	1.3
145.10191	1.4
147.11717	1.8
151.11220	2.3
162.13466	1.6
215.35736	1.4
246.23071	1.4
264.23926	1.6
275.23865	1.6
294.11169	8.5
306.11307	1.7
308.05429	2.6
308.09064	3.0
320.26089	2.4
321.24255	5.7
322.10721	14.8
323.07635	6.0
323.11453	22.2
338.10080	11.1
338.13800	56.0
338.27676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3413
Annotation	CHEBI:69545
Peak:m/z	Relative Intensity
51.35592	1.4
53.00337	1.7
55.05508	10.9
57.07085	23.5
67.05498	10.1
69.07073	35.9
71.08644	16.2
72.04517	1.9
79.05492	3.4
81.07053	12.1
83.08627	36.8
85.10188	7.7
86.06053	3.9
93.07058	8.6
95.08604	17.6
97.06531	3.6
97.10163	29.9
100.07615	11.3
107.08597	4.3
109.10155	8.5
111.08083	3.0
111.11721	8.2
114.09181	8.8
121.10165	11.8
123.11723	2.6
125.09644	2.1
128.10724	2.3
135.11684	7.9
139.11179	2.3
149.13272	3.7
294.11194	7.5
303.30392	9.0
321.31586	20.0
322.10715	4.4
323.11548	7.5
338.10162	3.3
338.13647	17.2
338.34174	100.0
341.62970	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97443	2.7
59.06642	2.5
69.03460	11.4
70.06604	5.5
84.04520	4.7
84.08169	4.7
86.09730	4.3
97.02901	5.2
100.07632	5.1
117.03394	7.2
120.08144	4.6
121.06528	22.1
122.06833	26.9
127.80739	3.2
134.61275	2.8
142.09483	3.3
145.02838	58.2
147.04404	42.7
149.06013	3.3
163.03836	4.2
177.05453	100.0
177.06859	5.9
201.01611	3.0
233.05977	5.1
237.02766	4.3
273.27322	3.2
279.06528	3.8
293.06134	5.1
295.11316	3.0
303.13516	3.8
311.07559	13.7
321.06052	6.0
339.04706	47.0
339.08273	63.8
339.15729	37.4
339.19965	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66412	0.3
56.73587	0.4
59.47896	0.3
60.25286	0.4
65.76766	0.3
69.04420	0.3
69.18953	0.3
79.23693	0.4
97.02869	0.7
99.75044	0.3
145.02914	0.8
171.08090	0.4
175.03912	0.5
175.07567	0.6
177.05489	1.7
200.21495	0.4
207.06427	0.7
231.39957	0.4
263.05298	0.6
264.07822	0.7
265.06738	0.4
278.11267	0.6
279.10071	0.4
280.09219	0.6
281.10251	0.5
291.04791	2.8
291.07886	0.4
292.05823	0.5
293.06345	9.2
294.11060	1.9
295.08057	0.6
295.11584	19.0
296.10760	0.4
307.11832	4.3
308.08881	0.9
308.12863	0.5
309.06085	0.7
309.09521	10.2
309.36072	0.4
319.04175	2.4
321.05862	100.0
322.10727	2.1
323.11050	27.3
324.11826	31.6
339.07111	33.1
339.14236	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59110	3.9
69.19779	4.8
105.67141	4.7
150.51523	6.4
177.05431	8.9
233.77548	6.7
264.81241	5.4
269.01971	5.9
287.14301	5.0
321.10977	7.9
324.11737	9.2
339.08038	50.7
339.10593	100.0
339.15280	18.8
360.91013	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57681	0.8
54.47889	0.7
64.06985	0.8
69.03432	0.8
70.06600	1.1
70.20992	0.8
74.92506	0.8
84.04509	1.7
84.08150	1.6
87.94044	0.8
96.19122	0.8
150.77319	1.0
240.00085	0.8
256.16800	0.9
267.11258	20.4
277.09698	1.3
278.07886	1.2
293.09174	54.2
294.10080	7.5
295.10922	1.9
306.10049	1.2
309.08804	1.5
321.08679	100.0
322.09726	5.4
324.11075	26.6
329.82864	0.8
339.06653	4.2
339.09845	96.4
339.13626	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57681	0.8
54.47889	0.7
64.06985	0.8
69.03432	0.8
70.06600	1.1
70.20992	0.8
74.92506	0.8
84.04509	1.7
84.08150	1.6
87.94044	0.8
96.19122	0.8
150.77319	1.0
240.00085	0.8
256.16800	0.9
267.11258	20.4
277.09698	1.3
278.07886	1.2
293.09174	54.2
294.10080	7.5
295.10922	1.9
306.10049	1.2
309.08804	1.5
321.08679	100.0
322.09726	5.4
324.11075	26.6
329.82864	0.8
339.06653	4.2
339.09845	96.4
339.13626	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57681	0.8
54.47889	0.7
64.06985	0.8
69.03432	0.8
70.06600	1.1
70.20992	0.8
74.92506	0.8
84.04509	1.7
84.08150	1.6
87.94044	0.8
96.19122	0.8
150.77319	1.0
240.00085	0.8
256.16800	0.9
267.11258	20.4
277.09698	1.3
278.07886	1.2
293.09174	54.2
294.10080	7.5
295.10922	1.9
306.10049	1.2
309.08804	1.5
321.08679	100.0
322.09726	5.4
324.11075	26.6
329.82864	0.8
339.06653	4.2
339.09845	96.4
339.13626	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65022	0.6
54.16079	0.7
55.05893	0.6
67.60674	0.8
68.86370	0.7
69.52244	0.8
71.54366	0.6
81.65208	0.7
103.60071	0.6
121.06527	1.5
122.06842	1.6
123.91650	0.7
147.04520	0.8
177.05467	3.4
262.07211	1.2
324.11847	1.5
339.10538	100.0
339.14719	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65022	0.6
54.16079	0.7
55.05893	0.6
67.60674	0.8
68.86370	0.7
69.52244	0.8
71.54366	0.6
81.65208	0.7
103.60071	0.6
121.06527	1.5
122.06842	1.6
123.91650	0.7
147.04520	0.8
177.05467	3.4
262.07211	1.2
324.11847	1.5
339.10538	100.0
339.14719	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.75541	0.5
60.93060	0.6
61.10947	0.5
90.17263	0.6
98.97560	1.5
105.42824	0.8
108.84958	0.7
112.02075	0.7
116.98629	1.1
177.05348	0.9
192.03786	0.7
241.07979	0.7
274.97437	4.1
276.19260	0.7
285.60553	0.8
292.98566	1.4
295.11490	5.3
307.11700	1.0
308.05322	1.1
309.05905	18.4
309.09360	2.9
321.09509	0.9
323.07681	7.2
323.11130	8.4
324.08231	100.0
324.11719	9.2
339.10510	63.7
339.14194	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54924	0.7
58.64640	0.7
61.72043	0.6
79.64717	0.7
93.55798	0.8
97.02943	0.8
105.50541	0.9
145.02852	0.8
151.77316	1.3
171.08026	1.3
175.03841	1.0
207.06534	1.2
220.74519	1.0
235.79831	0.8
268.09174	2.8
280.09595	0.9
283.11694	1.8
294.10809	1.0
295.08322	4.7
295.11584	9.7
296.08707	43.5
307.11566	1.7
308.08780	0.8
309.09393	4.2
310.10480	1.8
311.11050	44.0
322.06317	1.2
323.10977	12.8
324.08170	14.1
324.11844	15.8
337.08926	3.8
339.10535	100.0
339.14172	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97189	0.8
67.05526	1.0
97.02898	18.7
119.04939	6.7
145.02901	1.7
147.04410	6.1
157.03973	1.1
167.03430	1.4
175.03900	23.6
177.05457	1.8
207.06512	29.8
238.12880	1.4
263.07227	1.0
280.09106	1.4
281.06583	2.1
281.09866	2.3
289.08304	1.2
294.11115	2.0
295.08038	4.1
295.11505	25.1
307.11578	5.6
308.05518	1.7
308.08948	1.5
309.05844	33.1
309.09442	11.6
309.12943	1.5
321.10571	1.4
322.10773	2.0
323.07446	8.5
323.11026	40.2
324.08136	23.9
324.11819	42.3
339.10556	38.6
339.14102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.48491	0.6
53.98735	0.5
57.06787	0.6
59.94013	0.5
69.03427	3.3
81.03429	10.8
85.02905	4.3
89.03922	1.5
89.32114	0.7
97.02911	1.6
97.71998	0.7
109.02885	3.9
117.03378	6.5
127.03935	0.7
145.02853	46.9
149.06018	1.3
177.05458	75.6
188.68121	0.7
251.26122	0.7
254.12300	0.9
278.10196	0.8
281.09164	1.1
292.09677	1.0
293.09998	4.4
294.10214	5.7
295.10577	20.8
307.10834	4.1
308.08289	1.1
309.08423	6.8
321.09695	15.1
322.10052	2.8
323.10104	37.3
324.10904	31.9
338.13440	1.1
339.13345	100.0
364.37131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97189	0.8
67.05526	1.0
97.02898	18.7
119.04939	6.7
145.02901	1.7
147.04410	6.1
157.03973	1.1
167.03430	1.4
175.03900	23.6
177.05457	1.8
207.06512	29.8
238.12880	1.4
263.07227	1.0
280.09106	1.4
281.06583	2.1
281.09866	2.3
289.08304	1.2
294.11115	2.0
295.08038	4.1
295.11505	25.1
307.11578	5.6
308.05518	1.7
308.08948	1.5
309.05844	33.1
309.09442	11.6
309.12943	1.5
321.10571	1.4
322.10773	2.0
323.07446	8.5
323.11026	40.2
324.08136	23.9
324.11819	42.3
339.10556	38.6
339.14102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.95666	0.4
69.03425	0.8
81.03426	1.6
85.02853	0.4
86.89815	0.5
91.05448	0.9
97.02845	0.5
109.02896	0.6
117.03353	1.0
117.24747	0.4
119.04939	4.6
125.19126	0.4
126.49889	0.4
127.03921	0.6
136.06133	0.5
145.02855	13.6
147.04411	46.0
149.05959	0.7
177.05466	21.6
185.11005	0.4
233.05847	0.7
251.06879	0.5
266.07892	0.5
278.07681	1.9
279.06519	1.0
281.04443	0.6
281.10458	0.6
294.07214	1.0
295.07846	6.6
296.08829	1.6
296.12592	0.7
309.05981	0.6
310.10794	0.5
311.07565	0.8
311.11090	22.2
321.09723	3.0
322.07117	0.7
323.07446	20.4
324.08295	9.9
324.11908	1.4
326.17725	0.4
339.10565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03445	0.6
59.36027	0.4
60.91981	0.3
69.03436	4.1
70.49356	0.4
71.28427	0.4
71.92958	0.4
81.03428	4.5
85.02892	2.8
89.03907	2.2
90.96960	0.4
91.05460	0.9
97.02896	9.5
99.04483	0.7
103.75861	0.4
109.02891	0.7
111.47427	0.4
117.03406	7.1
119.04935	3.9
121.06424	0.7
122.06822	0.8
127.04008	0.5
136.06163	0.8
145.02852	54.8
147.04413	30.0
147.05600	1.0
149.05969	2.9
163.03896	0.7
177.05467	100.0
192.96492	0.4
195.06531	2.0
217.96950	0.5
233.05783	0.5
321.09592	5.9
324.08240	0.8
339.10846	20.1
339.19711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38669	1.0
55.53080	0.9
56.63270	1.1
58.38429	1.2
62.86597	1.1
70.84224	1.3
81.07062	1.5
83.05009	1.3
86.09706	1.8
95.08590	2.3
98.97593	5.2
109.10220	1.6
113.25906	1.5
116.98615	3.3
174.05496	29.7
177.05405	1.3
186.05502	9.0
187.06253	9.5
219.21164	1.4
248.07233	1.9
250.08609	2.2
263.05551	1.5
264.06528	2.3
273.45898	1.4
274.97510	8.2
276.10165	5.7
278.08258	10.8
290.08240	1.8
291.08795	1.5
292.06085	7.1
292.09698	7.0
292.98587	4.7
295.11243	1.3
296.09180	7.0
304.09845	1.9
306.07611	92.9
307.08246	2.1
308.09113	5.3
309.06299	25.7
309.09528	3.5
310.10709	5.8
320.09052	5.1
321.09897	13.0
321.24097	5.8
322.10715	22.9
323.10925	7.9
324.08600	33.4
324.11862	11.9
338.10208	15.0
339.10956	100.0
339.14279	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45366	1.1
69.07064	1.3
69.54028	1.1
77.70052	1.1
80.39851	1.2
81.07080	1.7
95.08613	1.4
97.02906	1.6
128.06139	1.4
145.02841	2.1
147.04359	1.4
171.08104	1.4
174.05528	24.1
177.05473	5.4
186.05521	7.7
187.06271	6.7
190.05078	1.5
193.08511	1.4
207.06621	2.8
238.04947	1.4
248.07033	1.3
250.08244	1.3
274.97375	2.7
276.10229	2.8
278.08145	8.4
283.51312	1.2
291.09103	2.1
292.06348	1.3
292.09595	2.9
293.06729	2.1
294.10739	2.0
295.11557	28.8
296.09155	7.1
306.07599	67.0
306.11197	2.6
307.08182	4.5
307.11667	7.0
308.09079	9.1
309.06284	22.5
309.09567	13.5
310.10629	5.0
320.09164	4.8
321.09940	10.2
322.10590	15.3
323.07288	7.3
323.11032	36.5
324.08539	25.0
324.11856	44.5
338.10245	7.5
339.10815	67.9
339.14243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
79.05482	1.2
81.03383	1.5
92.68200	0.9
93.03428	1.0
97.02892	4.0
107.04924	1.0
117.03371	2.3
119.04930	0.9
125.05980	1.6
137.05981	2.0
145.02858	12.7
149.05981	1.2
161.81857	0.9
175.03870	1.8
177.05478	22.3
191.08469	1.4
207.06493	2.3
213.67477	1.1
218.07365	1.0
219.08017	2.2
220.08806	0.9
233.09525	1.1
235.07230	1.5
235.09294	2.3
236.08257	2.3
237.08821	0.9
239.07289	1.1
247.07507	3.8
249.05614	1.3
249.08928	5.5
249.59248	2.2
251.10602	6.2
257.10501	6.6
261.09119	1.8
264.07730	7.9
265.08383	1.2
277.08569	1.1
278.09155	1.8
279.10104	4.3
280.32159	0.9
281.08191	4.0
291.06305	0.9
293.10004	1.5
294.10223	4.2
295.10638	16.1
296.10443	1.6
307.09634	8.2
308.08212	1.1
309.08618	7.3
311.12689	10.2
322.09607	2.2
323.10107	25.9
324.10953	25.7
339.12833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07436	0.3
89.83965	0.3
103.65368	0.3
109.37639	0.4
117.76009	0.3
120.63385	0.4
127.54536	0.4
141.95723	0.4
270.77954	0.4
281.08963	0.6
292.09534	0.6
293.10046	4.1
294.10281	5.9
295.10544	21.8
305.09808	0.8
307.10556	5.1
308.08295	2.7
309.08487	9.9
310.09064	0.4
322.09909	3.7
323.10086	40.0
324.10831	33.8
327.26953	0.4
339.13181	100.0
347.53516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85449	0.4
58.93970	0.5
62.91270	0.5
72.24366	0.6
89.69699	0.5
110.34884	0.5
117.76134	0.5
127.43082	0.5
145.02859	3.1
177.05423	3.6
244.50305	0.5
279.08478	0.6
280.09073	1.2
293.10028	2.7
294.10544	5.3
295.11002	23.1
307.10931	4.7
308.08597	1.0
309.09131	12.4
322.10074	3.4
323.10602	37.7
324.11215	41.4
339.13571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95347	0.5
55.00063	0.5
73.24551	0.5
73.43062	0.5
75.78671	0.4
96.74630	0.5
162.08997	0.6
166.78769	0.5
172.35318	0.6
190.36694	0.6
278.11346	0.8
279.08881	0.6
280.09332	3.2
281.10007	3.4
294.11136	3.9
295.11584	30.3
307.11639	7.6
308.08987	3.4
308.12311	0.7
309.09445	15.2
322.10764	2.3
323.11087	46.2
324.11841	41.2
339.14203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1586
Annotation	Carexane K
Peak:m/z	Relative Intensity
82.52200	1.6
108.10754	1.5
128.06236	3.5
129.07002	1.7
133.06499	2.3
150.06612	2.1
159.08043	20.3
164.00604	1.5
165.09090	2.1
166.06253	3.1
171.08028	40.0
173.09679	2.1
181.08557	3.0
193.08595	25.9
233.09613	2.6
249.09134	2.9
261.09161	6.3
263.10666	2.2
265.12213	7.5
276.11487	13.5
277.08771	2.2
277.12204	12.5
278.09369	2.5
281.11951	2.4
291.09998	2.1
292.11014	2.7
293.08282	3.7
293.11716	17.0
295.11530	16.7
307.13037	8.5
308.14218	18.6
309.07501	10.6
309.10583	5.0
323.11121	31.4
324.11948	40.5
339.15448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2162
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
51.37032	1.8
55.01878	2.7
55.05519	34.2
57.03436	2.9
57.07074	9.3
60.62548	1.7
67.05144	2.9
67.05508	88.7
69.07065	41.2
79.05497	58.0
81.07060	87.3
81.07542	2.4
83.05022	4.0
83.08625	27.2
83.48692	2.5
91.05055	2.0
91.05492	38.1
93.06476	3.7
93.07045	81.3
95.04975	3.6
95.08600	69.9
97.06564	4.0
97.10185	8.9
99.08123	2.5
105.07034	36.6
107.04983	3.0
107.08585	59.1
109.06483	2.1
109.10160	45.8
117.07044	2.8
119.08575	39.8
121.06580	2.6
121.10134	40.9
123.08013	3.4
123.11714	16.0
129.06982	3.1
131.08562	11.4
133.10135	28.4
135.11693	23.5
143.08536	2.9
145.10133	4.8
147.11685	24.5
149.13258	24.9
156.99472	2.3
157.10114	3.6
159.11696	4.8
161.13226	20.8
165.12624	2.2
173.13268	3.7
175.14827	8.7
219.46718	2.1
231.21095	5.3
259.20517	11.7
277.21634	24.1
295.11490	12.6
307.11594	2.8
309.09256	4.3
321.20496	13.2
321.29031	5.1
323.11017	14.3
324.11731	18.1
339.10715	5.7
339.14099	43.9
339.21667	100.0
339.28986	40.6
345.66302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05516	30.2
57.03434	4.3
57.07066	9.6
67.05507	84.0
69.03409	1.7
69.07067	48.6
71.04977	2.2
71.08623	3.5
79.05494	53.5
81.07060	96.8
82.03845	1.9
83.04991	3.8
83.08620	32.8
85.06467	1.8
91.05471	33.0
93.07040	79.1
95.04974	8.1
95.08600	72.6
97.06532	3.1
97.10162	11.1
105.07027	33.0
107.04933	2.6
107.08591	45.9
109.06536	4.1
109.10149	41.7
111.08094	2.0
117.07014	8.3
119.08578	43.6
121.10137	43.8
123.08073	1.9
123.11692	11.6
131.08554	12.7
133.10139	34.9
135.08043	2.0
135.11688	30.4
137.09563	2.6
143.08600	2.2
145.10110	4.0
147.08051	2.5
147.11678	18.8
149.09586	3.1
149.13231	26.2
157.10056	2.2
159.11673	6.5
161.13237	28.3
171.11588	2.3
171.49074	1.9
175.14801	7.7
189.16330	3.8
231.21158	8.5
241.19467	3.4
244.07669	1.9
248.35928	1.7
259.20596	9.4
277.21567	22.4
295.11523	22.2
307.11569	2.9
309.09546	12.4
321.20703	10.4
321.29019	7.7
323.11023	29.2
324.11801	33.3
339.10486	4.1
339.14215	71.8
339.21674	100.0
339.28928	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.7
55.01883	2.8
55.05516	3.8
57.03438	10.0
59.06701	1.6
67.05517	22.5
67.72758	1.7
69.03446	4.5
69.07059	4.5
71.04985	1.8
71.97783	1.6
79.05098	1.8
79.05489	18.8
81.03427	14.9
81.07063	100.0
83.04996	18.2
83.08611	8.4
83.44956	1.9
89.36173	1.7
91.05492	10.5
93.07046	26.9
95.04964	7.8
95.08591	25.5
97.06499	3.0
97.10157	4.3
105.07024	10.5
107.04977	20.2
107.08609	10.3
109.02883	3.0
109.06520	64.3
109.10159	3.4
111.04451	27.9
111.08082	2.9
113.05997	2.3
117.07011	4.2
119.08591	8.0
121.06488	2.8
121.10186	2.9
123.04421	11.4
123.08053	4.2
123.11697	2.2
125.05840	1.9
125.09625	2.6
131.08589	9.5
133.06459	3.2
133.10149	9.6
135.08051	10.3
135.11711	23.4
143.08517	2.2
145.06509	7.6
145.10146	4.5
147.08064	2.1
149.13316	16.1
151.07518	7.8
159.11717	16.9
161.09618	9.0
163.07451	3.1
169.10089	3.7
177.12691	16.8
179.10477	2.7
187.11151	15.5
205.12181	4.6
209.13242	2.9
209.15411	7.7
215.14261	2.3
223.06194	2.2
233.15218	7.3
241.14355	7.6
255.15939	7.3
261.18497	9.4
271.16937	8.7
274.97537	9.6
289.17972	50.5
292.98419	8.3
295.11557	4.4
303.19507	11.6
307.18936	7.9
309.09381	2.9
321.20630	49.4
323.10989	20.8
324.08264	9.1
324.11859	41.2
339.10605	9.1
339.14209	79.6
339.21295	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
56.09504	0.9
57.07085	11.5
63.07775	0.8
67.05502	4.2
69.03375	0.8
69.07063	4.1
79.05485	2.2
79.53731	0.8
81.07081	8.3
83.08658	1.4
89.62846	0.9
91.05482	1.7
93.07039	6.3
95.08617	4.0
95.92443	0.9
97.06525	1.5
105.07046	6.1
105.46353	0.9
107.08616	2.2
109.10207	1.1
118.21699	0.9
119.08573	10.0
121.06503	4.8
121.10139	25.8
131.08557	1.4
133.06519	1.2
133.10139	17.0
135.11656	1.2
145.10161	1.7
147.08087	1.5
147.11682	32.0
151.11247	1.2
157.10132	1.3
163.11308	1.4
175.11174	24.5
279.08215	1.0
283.16922	100.0
294.11237	1.4
295.11758	7.1
309.09406	1.9
323.11050	10.0
324.11826	11.7
339.14276	33.4
339.18732	2.1
339.23184	48.7
339.27066	1.7
339.29498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28008	0.6
53.51939	0.6
55.05527	6.3
57.03436	4.0
57.07081	17.2
66.44370	0.7
67.05508	7.0
69.07074	8.7
74.21190	0.7
77.51484	0.7
78.26145	0.7
79.05494	3.1
80.51845	0.7
81.07063	5.9
83.08627	7.5
91.05477	1.5
93.07042	3.0
93.34535	0.6
95.08617	7.5
97.06561	2.3
97.10183	3.9
98.97559	0.9
105.07019	4.5
107.08587	4.1
109.10168	3.5
119.08589	9.9
121.06513	3.9
121.10136	29.1
123.11711	0.8
133.06477	1.7
133.10129	14.5
135.11700	1.7
145.10158	1.0
147.08035	1.3
147.11682	30.3
149.09595	1.1
149.13295	0.9
151.11165	0.9
157.10158	1.5
163.11090	1.6
175.11169	27.3
177.05383	0.7
177.12743	0.9
230.23259	0.7
274.97571	1.7
283.16913	100.0
292.98517	0.8
295.11642	1.0
309.09286	0.9
323.11020	4.6
324.11920	10.2
339.10672	1.9
339.14178	19.4
339.19040	13.0
339.23187	49.0
339.28885	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.3
57.03433	1.3
57.07075	14.6
67.05494	7.8
69.07056	11.9
71.05009	1.6
71.08616	1.3
73.77778	1.4
79.05499	1.4
81.07057	8.4
83.08613	11.0
84.84652	1.5
91.05463	2.0
93.07033	3.3
95.08614	15.0
97.06526	2.2
97.10172	6.9
105.07008	7.2
107.08595	6.7
109.10159	7.6
114.05119	1.4
115.25581	1.3
119.08578	11.8
121.06449	1.6
121.10129	33.8
123.11685	1.8
125.09614	2.2
132.23798	1.3
133.10124	16.7
135.11711	5.4
147.11671	31.6
149.09579	2.4
149.13240	2.4
151.11192	11.7
153.58862	1.4
157.10141	2.5
163.11133	2.8
166.65060	1.3
175.11159	28.8
179.14299	2.5
181.64975	1.5
251.20132	2.2
280.26315	6.5
283.16913	100.0
294.11005	1.8
295.11670	2.7
303.23141	6.3
305.24829	2.4
309.09372	2.3
313.90259	1.3
321.24124	25.8
321.27954	1.8
321.29388	1.6
322.12738	1.5
322.27322	2.6
323.10971	14.2
324.11792	27.6
339.10419	6.2
339.14130	49.3
339.22934	41.5
339.29718	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38506	0.4
53.00311	0.4
55.05505	1.8
57.06827	0.7
57.07087	12.5
58.85225	0.4
67.05508	1.2
69.07062	2.7
71.08658	0.4
71.86309	0.4
79.05491	0.9
81.07059	2.3
83.04971	0.6
83.08621	1.1
91.05485	0.8
93.07064	2.4
95.08607	2.4
97.06554	1.2
97.10230	0.7
100.57999	0.5
101.77439	0.5
105.07037	6.2
107.04910	0.8
107.08603	2.9
109.10120	1.1
114.92651	0.4
119.04943	0.5
119.08584	9.0
121.06490	4.5
121.09290	1.0
121.10145	28.2
131.08592	0.7
133.06488	2.1
133.10136	16.1
145.10176	0.9
147.11682	29.6
150.55499	0.6
151.11169	2.1
157.10172	1.7
160.08772	0.6
163.11169	2.3
175.11179	28.5
177.12735	2.0
265.15714	0.7
283.16922	100.0
295.11566	2.0
304.23340	0.7
304.26422	2.7
307.11618	0.8
309.09521	0.9
321.25952	0.7
321.29071	2.8
322.24637	1.8
323.11038	3.2
324.11856	5.8
339.10278	2.1
339.14328	10.4
339.23175	49.0
339.27155	2.4
339.29758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18227	0.6
53.25288	0.6
55.05522	3.3
57.03444	0.6
57.07082	14.5
59.01198	0.6
62.98292	0.6
63.08878	0.6
67.05502	2.9
67.28409	0.6
69.07060	2.7
76.30856	0.5
79.05505	1.0
81.07058	4.5
83.08656	1.1
89.89153	0.7
91.05470	2.8
93.07032	3.7
95.08600	4.5
97.10150	0.8
104.61731	0.6
105.07038	7.1
107.04907	1.1
107.08597	3.5
109.10213	0.9
119.08578	10.2
121.06506	4.0
121.10139	26.1
133.06485	1.3
133.10124	18.9
135.11774	0.9
145.10117	1.3
145.40956	0.6
147.08052	1.6
147.11682	31.4
149.09485	0.7
151.11177	1.1
157.10123	2.6
163.11215	1.0
170.52380	0.7
174.50615	0.7
175.11179	27.4
190.54515	0.7
237.01923	0.7
274.97583	1.0
283.16907	100.0
294.24561	1.1
307.11542	0.7
323.11063	1.1
324.08438	1.6
324.11865	7.1
339.10513	2.4
339.14166	9.8
339.19006	5.5
339.23178	43.4
339.28781	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.05523	5.6
56.69111	0.6
57.03428	1.6
57.07083	15.5
57.65532	0.6
58.92741	0.8
58.93019	0.7
67.05504	7.2
69.07070	10.2
71.08615	1.3
73.31398	0.7
79.05498	1.6
80.05855	0.7
81.07066	9.8
83.05010	1.0
83.08606	6.5
85.10226	0.7
91.05479	1.5
93.07045	5.2
95.04973	0.8
95.08608	8.4
97.06538	1.7
97.10188	1.5
98.97622	1.5
102.73061	0.8
105.07018	6.2
107.08598	5.0
109.10157	4.2
111.04382	0.8
119.08596	10.2
121.06502	4.2
121.10131	33.8
133.06544	1.3
133.10117	16.1
134.99606	0.9
135.11668	1.9
145.10135	1.4
147.07990	1.3
147.11685	32.2
157.10136	1.7
163.11226	1.9
166.13187	1.4
167.99747	0.9
175.11182	27.2
274.97525	3.5
279.22870	1.1
283.16901	100.0
292.98450	1.1
295.11545	1.6
304.23608	1.1
307.11746	1.1
309.09470	1.0
322.24582	5.4
323.11081	5.8
324.11761	7.5
333.89859	0.9
339.10510	2.9
339.14227	17.2
339.23154	48.6
339.28568	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69555	1.2
53.74763	1.2
55.05519	3.0
57.03447	2.6
57.07085	19.0
58.81594	1.3
67.05511	8.6
67.33692	1.4
69.07063	8.9
70.73066	1.5
71.08636	7.0
79.05483	3.1
81.07068	11.7
82.07385	1.8
83.08623	3.5
93.07055	6.3
95.08617	6.3
105.07051	3.2
107.08604	6.3
109.10149	7.1
116.42983	1.5
119.08598	7.6
121.06519	2.0
121.10134	28.1
133.10143	16.9
138.20937	1.4
138.86417	1.6
142.04077	1.5
147.11700	31.0
151.11150	2.0
159.11737	1.9
163.11115	2.1
175.11191	29.1
215.82315	1.6
235.93887	1.6
277.59705	1.7
283.16910	100.0
295.11588	2.3
321.28101	7.0
323.11023	5.4
324.11813	9.6
339.10504	5.3
339.14246	21.7
339.23160	52.7
339.28967	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67295	0.5
55.05514	0.8
57.07080	12.3
67.05515	0.7
69.07052	1.2
79.05476	0.7
81.07044	1.2
81.31219	0.6
83.08594	0.8
91.05449	0.7
93.07043	1.4
95.08607	0.8
96.89573	0.6
102.31763	0.6
105.07001	5.2
107.08604	2.5
119.08577	9.4
121.06471	4.7
121.10141	26.0
123.11729	0.7
133.06517	0.6
133.10136	15.3
145.10098	1.0
147.08043	3.0
147.11684	29.9
151.11237	1.2
157.10155	1.4
160.08774	0.7
163.11198	3.0
175.11169	24.6
178.98245	0.8
203.63988	0.8
217.70741	0.6
255.97665	0.7
256.96466	1.0
274.97614	2.4
283.16913	100.0
288.68271	0.7
292.98596	1.2
298.38586	0.6
323.10962	2.8
324.11722	4.8
339.14389	9.0
339.23175	49.6
339.29013	3.6
344.36954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
57.03409	0.9
57.07083	15.3
58.46239	0.8
60.04515	3.5
67.05507	4.3
69.07072	8.6
79.05488	1.0
80.38167	0.8
81.07079	6.7
81.07475	0.9
81.92003	0.8
83.08620	5.1
91.05471	1.6
93.07043	4.0
95.08589	7.5
97.06529	1.2
97.10160	3.7
105.07033	6.5
105.27189	0.9
107.08577	3.6
109.10150	5.1
114.09200	0.9
119.08598	10.7
121.06483	5.1
121.09296	1.4
121.10139	28.9
123.11732	1.5
133.06479	1.2
133.10124	18.3
137.09654	1.0
145.10060	1.7
147.08058	1.1
147.11691	31.7
149.09592	1.1
151.11156	1.6
157.10135	1.6
163.11143	1.1
175.11168	27.4
177.12776	1.5
177.88953	1.0
197.89076	0.8
224.19978	1.1
241.24451	0.8
242.57487	0.9
263.23599	1.0
274.97464	5.4
280.26346	5.1
283.16919	100.0
292.98444	4.0
297.28952	4.3
309.09134	1.0
323.11050	5.7
324.08038	1.6
324.11771	9.2
324.85791	0.9
339.10919	2.0
339.14392	20.4
339.19095	6.4
339.23163	50.2
339.29904	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46553	0.3
53.42987	0.4
53.60955	0.4
57.07084	12.3
60.40157	0.5
63.19023	0.4
67.05521	0.5
81.07073	0.8
91.05506	2.0
93.07051	0.4
97.06575	0.8
105.07018	5.0
107.08644	2.3
119.08572	8.0
119.09303	0.5
121.06530	3.8
121.10143	28.0
133.06546	2.1
133.10133	16.2
133.11037	0.8
141.38304	0.4
145.10175	1.1
147.08099	1.1
147.11687	31.0
149.06857	0.5
157.10150	1.9
160.08841	0.8
163.11208	1.9
164.26929	0.5
175.11169	27.7
177.12706	1.1
177.47498	0.5
192.30818	0.5
244.57567	0.4
283.16913	100.0
295.11676	1.0
323.10950	2.2
324.11871	3.8
339.10764	0.6
339.14792	7.2
339.19067	5.8
339.23126	48.7
348.36099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49633	0.3
55.89869	0.3
60.08168	1.4
78.26827	0.3
84.80388	0.3
84.91179	0.4
86.82330	0.3
104.10748	100.0
139.42490	0.3
324.11835	0.6
339.09137	2.3
339.14310	2.2
339.24942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Betaenone E
Peak:m/z	Relative Intensity
55.05516	10.6
57.03446	3.6
57.07084	7.0
67.05498	12.4
67.36380	1.7
69.07076	22.6
71.08631	22.0
79.05491	3.9
81.07052	21.8
83.08605	11.8
93.07045	10.6
95.08627	23.4
97.06499	1.9
97.10180	10.3
99.08086	12.9
105.07050	9.0
107.08595	10.2
109.06522	14.6
109.10166	10.4
110.67826	1.6
119.08566	9.9
121.06497	6.8
121.10124	16.2
123.11717	3.5
127.54753	1.6
130.49310	1.6
131.08536	4.0
133.10133	3.6
135.08047	2.4
135.11644	3.2
139.11192	9.4
145.10141	2.8
145.54607	1.7
147.11696	6.8
149.13237	3.1
159.11713	2.9
161.13268	3.8
163.11157	2.2
163.14879	3.4
164.03337	1.5
165.12761	51.1
165.84225	1.8
177.12770	8.1
181.15869	15.5
191.14285	7.5
261.22183	13.3
274.97433	2.6
279.23166	6.5
289.21597	50.4
294.10880	2.1
295.11542	18.8
306.83002	2.0
307.11548	3.8
307.22809	15.1
308.08777	2.4
309.09561	10.6
321.24268	81.4
322.10364	2.3
323.11124	29.8
324.08234	3.4
324.11841	58.9
339.10916	4.8
339.14194	100.0
339.28961	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	3.5
67.05508	27.0
69.07079	10.2
71.05018	2.1
71.91117	1.7
79.05502	18.3
81.07056	45.9
83.08631	10.2
91.05503	10.6
91.09535	1.9
93.07049	27.8
95.04973	2.4
95.08615	38.8
97.06585	3.4
97.10188	9.5
99.08115	1.9
100.07600	3.4
105.07039	16.9
107.08591	26.8
108.77412	2.0
109.06568	2.4
109.10164	20.9
117.07053	8.0
119.08594	14.3
121.06575	2.2
121.10138	36.9
123.11750	8.9
125.09589	2.5
128.10828	2.4
129.06987	2.2
131.08545	16.8
133.10139	15.2
135.08095	3.4
135.11684	34.7
137.09692	3.2
142.12271	2.7
145.02872	2.4
145.10126	21.9
147.08098	12.0
147.11746	13.9
149.06010	2.5
149.09660	3.7
149.13290	11.4
151.11177	2.2
154.12326	2.5
157.10188	4.0
159.11746	12.2
161.09634	10.5
161.13293	12.5
163.11148	4.9
171.11813	8.1
173.13289	2.7
175.11288	3.9
175.14796	2.3
177.05551	2.9
179.14250	2.4
185.13326	3.9
195.13782	2.5
196.17085	2.6
225.16362	2.6
241.19568	4.0
243.21214	2.3
251.18034	3.3
259.20639	11.8
261.14987	2.8
261.22198	12.0
269.19156	3.9
275.53329	2.1
276.23270	15.4
277.21646	2.8
278.24915	4.2
286.21768	10.0
287.20084	39.7
293.17606	10.7
295.11578	18.8
304.22650	34.8
305.21140	9.0
307.11716	8.2
309.09598	9.7
315.88928	2.1
321.16855	15.4
321.25378	2.6
322.23895	10.5
323.11075	35.4
324.11838	37.7
339.14218	100.0
339.18060	5.0
339.26392	93.9
339.30167	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
57.07085	2.4
67.05511	18.7
69.07058	9.8
73.40414	1.7
79.05483	11.2
81.07056	30.5
83.08609	8.3
85.06538	2.0
86.06042	2.1
91.05466	10.3
93.07056	27.5
95.08607	23.2
97.06518	3.4
97.10176	2.6
98.97576	2.5
105.07039	18.6
107.08604	21.6
109.06535	2.1
109.10162	9.7
117.07005	6.8
119.08561	13.4
121.10134	24.6
131.08527	14.1
132.54343	1.9
133.10121	16.5
135.08055	3.4
135.11684	22.2
137.76596	2.2
143.08507	6.6
145.10098	14.6
147.11684	21.6
149.09631	8.4
149.13243	11.1
157.10112	7.3
159.11638	20.0
161.09645	8.1
161.13268	10.4
163.11108	4.2
171.11713	9.7
173.13275	8.0
175.11174	18.3
175.14792	1.8
177.12720	8.9
177.96375	1.8
179.14287	2.1
183.11682	2.2
185.13240	10.6
189.12737	8.3
192.00499	1.7
203.14287	2.8
241.19533	4.0
251.17918	3.1
259.20609	3.5
261.22232	3.5
269.18893	15.5
274.97281	3.2
276.23181	8.4
286.21619	21.8
287.20065	39.8
295.11636	19.2
304.22720	40.2
305.21097	10.7
307.11407	2.9
309.09216	3.9
322.23779	24.2
323.10980	26.4
324.11777	42.3
339.14203	90.9
339.26401	100.0
345.92087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.0
56.05025	2.6
58.06593	4.1
62.40496	1.5
64.18147	1.6
67.05504	18.0
68.05837	2.7
68.20316	1.5
69.07046	11.3
70.06599	15.4
70.07395	2.1
79.05459	7.7
80.05804	1.9
81.07068	27.2
82.06564	1.8
82.07362	7.3
83.08591	8.5
84.08129	3.4
86.09663	11.4
87.10035	2.7
91.05467	1.9
93.07026	12.8
94.07349	2.7
95.08617	20.3
96.08128	3.7
96.08913	7.0
97.10143	2.8
100.11202	1.9
104.00677	1.6
105.06995	3.0
106.07408	1.7
107.08583	3.7
108.08889	2.3
109.10098	10.0
110.10461	2.3
117.06915	2.2
119.08559	2.4
119.52195	1.6
121.10101	6.4
123.11662	2.4
124.11158	2.3
126.12769	7.0
127.13133	5.7
128.56558	1.5
135.11713	2.0
147.11613	1.9
149.13196	2.8
182.15295	8.1
183.15642	6.4
200.16432	5.9
201.16699	7.4
223.18759	2.4
240.19409	3.7
241.20010	4.9
281.22839	8.7
295.11359	2.0
295.24405	9.9
309.09366	3.3
321.25916	10.5
323.11063	11.8
324.11685	12.6
339.10339	3.8
339.14056	23.6
339.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.7
54.50440	0.8
55.01866	1.1
55.05281	0.9
55.05520	13.5
57.03440	10.3
57.07080	17.6
59.96877	0.8
66.77044	0.8
67.05510	12.4
69.07072	24.8
71.04985	0.9
71.08636	3.7
79.05486	5.6
81.07059	14.1
83.08630	16.3
85.06571	0.9
85.10168	1.7
91.05462	1.7
93.07046	8.8
95.04994	1.1
95.08615	13.2
97.06512	1.7
97.10176	8.0
105.07024	5.7
107.08581	7.3
109.10151	9.3
112.07598	1.0
119.08579	9.0
121.06516	5.6
121.10145	32.9
123.11725	1.7
124.40052	0.9
133.06583	1.4
133.10115	17.2
135.11664	5.6
147.11696	31.5
149.13187	1.4
157.10146	1.4
163.11121	1.4
175.11172	27.2
187.88715	0.9
265.25290	1.6
283.16901	100.0
295.11578	1.5
321.29031	1.6
323.11017	5.3
324.11905	7.0
339.14511	14.7
339.18994	9.3
339.23175	50.6
339.28894	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.00303	0.9
55.05334	1.1
55.05521	15.7
57.03442	13.0
57.07082	9.7
67.05502	13.2
69.07068	25.5
69.07433	1.2
71.05005	1.4
71.08615	4.9
78.05300	0.9
79.05492	5.4
81.07057	16.4
82.21042	1.0
83.08612	17.2
85.10188	2.0
93.07044	8.8
95.08601	19.4
97.06528	1.8
97.10172	10.4
97.32536	1.2
98.97572	2.1
99.08108	0.9
102.97947	0.9
107.08599	6.8
109.10152	6.2
111.08101	1.4
111.11704	1.2
121.10160	6.9
123.11667	1.3
125.09583	1.4
125.59615	1.0
132.98242	1.1
135.11682	7.5
149.13268	1.6
155.78349	1.2
172.40602	1.1
265.25153	1.2
274.97433	1.3
278.70062	1.1
292.98694	1.1
295.11551	2.4
323.10852	7.7
324.08435	1.7
324.11761	11.9
339.10489	2.5
339.14230	31.6
339.18723	3.2
339.28912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05519	18.2
56.76385	1.1
57.03439	8.7
57.07079	7.4
60.04531	2.3
67.05510	11.2
69.06701	1.6
69.07071	32.6
71.04996	1.3
71.08627	5.1
78.34274	0.9
79.05503	4.0
79.39040	0.8
81.07059	20.2
83.08622	21.6
85.10200	1.1
93.07050	8.7
95.08608	22.3
97.06539	1.7
97.10173	15.0
107.08615	6.7
109.10161	13.1
111.08073	2.2
111.11749	2.4
119.08586	1.2
121.10140	8.8
123.11672	3.7
125.09628	1.5
128.14345	3.9
133.10115	2.3
135.11699	5.8
137.13348	1.5
139.11258	1.2
147.11652	1.2
149.13274	2.2
151.11165	1.4
154.12361	1.2
161.13281	1.3
168.13882	1.7
195.88820	0.9
224.61494	1.0
233.49774	1.0
245.22618	1.1
265.25256	2.3
279.27963	4.7
280.26352	22.0
297.29010	27.4
339.14008	1.1
339.29498	100.0
357.98550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74955	2.0
55.05518	4.6
57.03440	2.6
57.07075	5.0
65.64547	1.9
67.05507	25.9
69.07060	15.9
70.06592	3.2
75.18571	2.1
79.05499	10.4
81.07072	30.7
83.08621	10.1
86.09693	2.8
93.07040	13.5
95.08611	31.5
96.08109	2.6
97.10175	4.1
100.07628	2.3
100.11301	4.0
107.08613	11.6
109.10152	21.8
112.11269	2.7
113.61741	2.2
117.30976	2.7
121.10127	12.1
123.11663	4.7
131.08560	3.0
133.10155	5.5
135.11693	9.6
147.11700	4.5
152.35941	2.7
182.15404	9.6
196.16794	3.0
199.18045	4.5
257.45804	2.3
264.59695	2.6
278.24866	3.7
281.25879	4.8
295.11407	5.5
295.27701	4.3
304.26303	4.3
308.08899	2.5
309.09402	3.4
321.29056	21.6
322.27615	5.1
323.11206	22.7
324.08160	3.6
324.11856	37.9
339.10449	8.7
339.14148	79.1
339.30063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	19.5
57.03432	10.7
57.07076	12.5
60.04531	2.1
67.05515	24.7
69.07069	28.8
71.08627	5.0
79.05489	2.3
81.07066	29.5
83.08623	22.0
85.45641	1.9
93.07050	12.9
95.08620	32.7
97.06509	2.5
97.10154	14.1
98.97607	2.6
107.08612	5.0
109.10166	11.7
111.08139	2.5
119.08657	3.4
121.10159	16.8
123.11719	5.3
135.11668	4.6
137.13235	3.0
147.11684	4.4
175.11148	3.3
230.81360	2.4
266.94232	2.8
274.97543	3.5
280.26321	24.1
283.16891	17.9
292.98749	2.8
295.11475	4.6
297.29056	22.1
309.09253	3.4
323.10934	11.9
324.11865	26.9
339.14169	43.0
339.22668	4.7
339.29459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84975	0.2
53.00313	0.6
55.01872	0.3
55.05519	14.9
55.89676	0.2
57.03444	8.4
57.07080	10.9
60.04525	2.3
67.05511	14.5
67.45908	0.2
68.86320	0.2
69.07071	29.2
69.65076	0.2
71.04980	1.1
71.08282	0.3
71.08635	5.6
71.61465	0.2
72.08157	0.2
73.06550	0.5
78.47136	0.2
79.05070	0.4
79.05495	5.2
81.07063	20.1
81.85230	0.2
83.04979	0.5
83.08622	22.3
84.08106	0.2
85.06527	1.6
85.10179	2.4
86.06040	0.4
88.48073	0.2
91.05466	0.6
93.07051	7.5
95.04976	0.3
95.08607	20.7
97.06528	4.0
97.10165	14.3
97.10682	0.3
97.10800	0.3
99.08070	1.3
100.07599	0.6
105.07023	1.4
107.08598	6.8
109.10152	10.8
111.08080	2.6
111.11716	3.6
114.09159	0.5
114.12775	0.4
119.08585	1.7
121.10134	9.0
123.07990	0.3
123.11699	4.1
125.09637	1.7
125.13266	0.3
126.09170	0.3
127.11160	0.3
128.10686	0.3
128.14345	3.9
133.10127	1.7
135.11705	6.4
137.13248	1.6
139.11111	1.3
142.15927	0.5
147.11693	2.2
149.13263	3.0
151.11154	0.5
151.14775	0.9
153.12720	0.5
154.12207	0.3
154.16025	0.2
161.13200	1.1
163.14809	1.5
165.16406	1.0
167.14209	0.3
168.13835	2.5
170.15398	0.3
175.14821	0.4
177.16302	0.5
179.17957	0.5
182.15419	0.4
185.16463	0.5
189.09145	0.3
191.17931	0.4
236.99013	0.3
245.22604	1.2
247.24182	2.2
263.23621	2.3
264.87558	0.3
265.25189	4.3
268.46768	0.2
274.97620	0.4
279.27966	3.0
280.26328	19.2
292.98520	0.3
295.11646	0.5
297.28998	18.9
309.09509	0.6
322.27426	0.4
323.11011	1.4
324.08420	0.6
324.11880	4.9
331.59439	0.3
339.14209	9.8
339.29230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
55.05511	5.3
56.05042	1.7
57.07086	1.7
58.06595	4.8
67.05511	15.7
69.07072	7.5
70.06596	6.3
72.08160	2.1
79.05514	5.9
81.03394	1.5
81.07067	24.3
83.08624	7.4
84.08148	5.7
85.06550	1.6
85.31569	1.1
86.09708	6.3
91.05482	1.9
92.87493	1.0
93.07059	9.1
95.08608	29.4
97.10170	2.7
98.09686	5.3
102.29352	1.2
105.07064	1.3
107.08596	7.9
109.10164	17.3
111.11683	1.3
114.09147	1.5
119.08598	5.2
121.10146	10.5
123.11718	8.0
124.11235	1.5
126.12840	1.2
131.08598	1.7
133.10158	5.0
135.11703	4.7
137.09621	2.3
138.12825	2.7
144.60455	1.1
145.10162	1.5
147.11658	1.6
149.13232	1.9
151.11188	1.4
154.12231	1.6
155.10631	1.3
159.11693	1.9
161.13290	1.7
168.17500	2.3
172.13271	5.6
173.11780	5.0
173.13240	1.5
177.05515	5.5
182.15428	12.2
199.18050	12.4
254.21045	1.2
264.23309	7.8
278.24765	9.5
281.25882	12.4
295.27454	11.2
296.25809	2.2
304.26373	5.2
321.29019	25.7
323.10965	2.7
324.11877	4.5
339.10388	2.1
339.14072	8.2
339.18423	1.5
339.30072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31330	0.5
55.05523	11.3
57.03447	5.7
57.07087	7.1
58.70950	0.5
60.04533	4.7
67.05519	12.1
69.07078	20.1
71.04983	0.9
71.08633	3.9
79.05510	2.7
81.07066	14.7
82.51947	0.6
83.05006	0.8
83.08630	17.6
85.10186	1.4
91.05463	0.8
93.07070	6.6
95.08611	16.9
97.06528	1.7
97.10173	11.6
100.07636	1.0
105.07104	1.1
107.08611	4.7
109.10150	10.6
111.08118	1.3
111.11748	1.1
114.09167	1.0
114.12832	4.0
119.08595	2.7
121.10147	5.3
123.08096	0.9
123.11767	2.9
125.09640	1.0
128.14334	2.8
133.10155	3.7
135.11736	4.3
137.13266	1.0
139.11214	0.9
140.10780	0.7
147.11746	1.3
149.13307	2.9
151.14798	0.9
161.13303	1.5
163.14804	0.8
168.13838	1.1
182.15456	4.3
235.53716	0.8
245.22552	1.3
263.23776	3.2
279.27988	4.7
280.26358	26.8
297.29022	25.2
297.32141	1.1
322.27585	0.9
323.11234	0.9
324.11804	1.5
339.14615	5.1
339.19073	3.5
339.29761	100.0
358.00171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48425	1.5
55.05524	13.3
57.03445	4.1
57.07089	4.2
66.96326	1.5
67.05505	14.6
69.07069	20.2
71.08636	3.6
72.47469	1.6
81.07066	22.4
83.08636	18.1
93.07062	9.3
95.08611	23.6
97.10147	13.2
107.08589	4.1
109.10128	12.9
111.08069	2.7
111.11749	3.0
114.09195	2.9
119.08627	2.4
121.10107	3.7
123.11748	2.4
133.10178	1.9
135.11670	8.6
137.09660	2.0
137.13298	2.2
140.84186	2.0
142.15965	3.2
149.13326	3.2
154.12283	4.2
238.90492	1.7
263.23807	1.7
280.26355	14.0
295.11646	2.5
297.29199	9.9
324.11804	6.5
339.14063	13.2
339.29721	100.0
346.02805	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
57.07076	3.0
60.04529	2.5
67.05509	9.7
69.07077	14.0
71.08632	2.9
77.94452	1.2
78.27084	1.4
79.05516	2.2
81.07056	14.1
83.08624	10.2
85.10183	1.9
91.05482	1.6
93.07055	2.1
95.08080	1.5
95.08606	13.1
97.06499	1.9
97.10170	7.7
100.07618	1.7
100.20048	1.4
105.07064	2.5
107.08573	2.0
108.62672	1.2
109.06501	1.3
109.10156	10.7
111.08046	1.6
116.70287	1.4
118.48103	1.4
119.08574	2.0
121.10117	5.4
123.07948	1.5
123.11677	5.2
128.10681	1.5
133.10146	3.2
135.11734	2.2
137.13255	2.2
142.15894	5.7
147.11682	5.6
149.13312	1.6
154.12283	3.2
245.22864	1.9
263.23709	1.7
279.27994	5.6
280.26306	31.2
295.11389	1.6
297.28986	32.7
323.10825	1.6
324.11786	3.1
339.14127	6.9
339.18982	2.0
339.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
57.07071	7.1
60.04519	6.0
67.05510	13.5
69.07078	16.5
71.08637	3.4
73.74421	1.3
79.05520	4.6
81.07077	27.4
83.08625	12.1
91.05465	5.7
93.07021	11.3
95.08597	22.9
97.06528	1.9
97.10155	8.4
100.07639	1.9
105.07047	7.0
107.08599	9.3
109.10163	15.4
111.08077	2.2
111.11684	2.8
114.09136	2.4
119.08580	7.8
121.10133	10.6
123.11703	3.5
133.10133	12.2
135.11687	6.4
137.09634	2.0
137.13257	2.5
140.14322	2.0
147.11676	8.2
149.13263	1.7
161.13219	3.1
163.14766	1.8
171.11705	1.6
175.14839	2.0
189.16399	2.3
203.17952	1.5
206.19006	1.9
245.22510	1.7
259.24182	2.5
263.23746	2.8
269.22647	1.6
276.26828	2.7
277.25171	6.0
278.24747	2.2
280.26346	19.7
287.23572	2.6
295.27402	1.8
297.28946	11.2
304.26355	9.4
305.24750	19.5
321.29050	11.8
322.23923	3.1
322.27252	18.7
323.11108	1.8
339.14346	4.8
339.30014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.3
57.07071	5.6
60.04525	3.1
67.05499	15.2
69.07069	18.7
71.08635	2.0
72.08157	1.3
79.05493	5.2
81.07053	23.3
83.08628	16.9
84.08151	1.4
84.14341	1.1
85.10188	1.9
85.31435	1.2
86.06118	1.1
91.05478	2.0
93.07034	7.3
95.04936	1.3
95.08607	26.7
97.06525	2.3
97.10150	10.3
97.80120	1.3
99.08099	1.5
100.07631	1.5
100.11275	2.6
105.07012	2.8
107.08594	9.4
109.10163	16.1
111.08073	1.8
111.11693	1.9
114.09102	1.7
119.08554	6.3
121.10153	13.6
123.11725	10.2
125.09626	2.1
133.10147	14.4
135.11700	7.7
137.09689	2.3
137.13219	5.4
139.11137	2.1
147.11678	7.9
149.13249	6.8
161.13184	2.0
163.14796	6.7
165.16364	1.9
167.14275	1.3
175.14792	3.0
177.16406	2.6
189.16406	1.5
196.17055	1.5
198.18411	1.3
201.16492	1.4
207.17406	1.4
217.46706	1.3
245.22606	4.6
247.66299	1.6
250.25296	2.1
259.24243	1.6
263.23685	8.4
277.25259	6.7
278.24826	2.2
279.27930	1.8
280.26358	28.6
294.27817	2.1
297.29095	9.5
304.26331	5.4
305.24734	23.2
311.06311	1.4
321.29022	6.2
322.23715	13.1
322.27371	14.2
322.30902	1.9
323.11243	2.5
324.11826	8.6
339.10791	1.7
339.14270	16.2
339.26703	5.2
339.30035	100.0
339.33444	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
59.49942	2.8
60.04528	3.9
63.16378	2.9
67.05507	14.1
67.61613	2.5
69.07066	17.8
71.08617	4.9
76.12630	3.3
79.05497	4.4
81.07050	26.4
82.54396	3.5
83.08626	14.8
84.08144	3.3
84.29356	3.2
91.05454	4.6
93.07032	6.9
95.08603	30.4
97.10185	14.0
107.08618	8.1
109.10158	6.6
121.10174	13.3
123.11694	3.6
133.10153	7.0
135.11720	5.9
147.11673	6.8
147.68614	3.8
151.14769	4.2
156.57686	3.0
258.78836	3.4
280.26343	21.3
295.11447	4.8
297.29007	7.9
304.26297	3.4
305.24835	13.9
309.09442	6.6
321.29062	5.9
322.23694	11.4
322.27478	15.1
323.11124	25.1
324.08350	7.8
324.11829	64.1
339.10483	15.3
339.14218	100.0
339.26511	4.7
339.30038	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38654	3.9
55.05519	9.3
57.07081	26.0
59.58087	3.5
65.69492	3.7
67.05508	29.5
69.07076	41.9
71.08637	4.3
79.05523	5.3
81.07047	38.7
82.16235	4.3
83.08610	32.8
93.07026	17.5
95.08602	50.4
97.06538	5.1
97.10195	15.6
105.07049	8.8
107.08621	10.2
109.10159	27.1
114.46539	4.5
119.08585	20.5
121.10165	51.1
123.08125	6.3
123.11732	5.1
133.10146	28.1
135.11746	6.2
137.09669	5.1
141.99078	4.2
145.10139	5.0
147.11668	47.7
151.11165	22.1
151.87697	3.9
161.13258	10.0
163.11247	5.4
173.36743	5.3
175.11185	32.4
175.15018	4.5
201.81223	4.4
259.24155	5.2
278.25113	6.4
280.26367	20.8
283.16946	100.0
295.11597	7.1
297.29010	9.4
299.87311	5.1
303.23157	9.3
305.24728	16.2
309.09555	7.3
311.11603	4.3
321.24149	47.9
322.27203	10.7
323.11050	27.1
324.08304	8.2
324.11804	33.3
339.14035	78.7
339.22543	42.0
339.27121	9.7
339.30090	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05327	0.7
55.05526	11.5
57.03436	4.1
57.07080	7.4
60.04528	4.9
61.02774	0.7
64.67850	0.8
67.05508	9.0
69.07069	19.0
71.08617	2.9
72.08160	0.7
79.05503	3.7
81.07060	17.1
83.04974	1.0
83.08622	15.9
85.10204	1.1
91.05489	0.9
93.07055	5.3
95.08607	18.9
97.06544	1.3
97.10170	11.4
100.07640	1.2
100.11275	1.8
105.07053	1.2
107.08596	4.8
109.10162	10.5
111.08096	3.0
111.11737	3.1
112.22772	0.8
114.09166	0.9
114.12821	1.1
119.08616	3.0
121.10158	7.9
123.11706	3.8
133.10135	4.9
135.11700	4.5
137.13248	1.0
147.11690	4.1
149.13298	1.0
156.36203	0.8
161.13278	1.4
182.15358	1.2
185.12755	0.9
187.48935	0.8
189.16449	0.9
190.49081	0.7
193.23476	0.8
196.17003	3.3
206.58035	0.8
208.64679	0.9
229.68336	0.8
245.22517	1.2
263.23730	1.8
270.35822	0.9
279.27972	2.6
280.26315	19.2
283.16861	5.8
297.28961	20.7
297.32074	1.1
323.11237	1.4
324.11621	1.3
339.14154	7.2
339.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32150	1.4
55.05513	3.5
57.07061	1.4
62.09004	1.6
67.05516	27.7
69.07065	9.7
79.05503	21.2
81.07063	42.8
83.08622	14.3
86.68374	1.6
91.05476	8.4
93.07050	31.8
95.04929	1.5
95.08614	41.3
97.06532	3.0
97.10169	7.9
100.07584	2.1
105.07040	8.7
107.08593	28.7
109.10139	18.6
111.08072	3.5
112.42605	1.7
119.08589	8.7
121.10134	49.6
122.17813	1.5
123.11718	2.8
125.09592	2.0
131.08563	3.6
133.10117	10.2
135.11696	40.7
137.09584	1.8
139.11189	2.0
142.77341	1.7
145.10170	2.2
147.11693	7.0
147.21577	1.6
149.13240	13.2
156.38953	1.5
159.11732	3.2
161.13271	8.9
163.14806	1.8
165.12822	2.0
175.14803	3.0
177.12651	2.0
187.14720	1.9
209.15463	1.8
269.22855	1.7
280.60373	1.7
287.23630	9.9
304.26419	3.7
305.24734	39.3
322.27386	100.0
323.10873	6.2
324.11823	10.0
339.10529	2.0
339.14243	17.9
339.30087	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32150	1.4
55.05513	3.5
57.07061	1.4
62.09004	1.6
67.05516	27.7
69.07065	9.7
79.05503	21.2
81.07063	42.8
83.08622	14.3
86.68374	1.6
91.05476	8.4
93.07050	31.8
95.04929	1.5
95.08614	41.3
97.06532	3.0
97.10169	7.9
100.07584	2.1
105.07040	8.7
107.08593	28.7
109.10139	18.6
111.08072	3.5
112.42605	1.7
119.08589	8.7
121.10134	49.6
122.17813	1.5
123.11718	2.8
125.09592	2.0
131.08563	3.6
133.10117	10.2
135.11696	40.7
137.09584	1.8
139.11189	2.0
142.77341	1.7
145.10170	2.2
147.11693	7.0
147.21577	1.6
149.13240	13.2
156.38953	1.5
159.11732	3.2
161.13271	8.9
163.14806	1.8
165.12822	2.0
175.14803	3.0
177.12651	2.0
187.14720	1.9
209.15463	1.8
269.22855	1.7
280.60373	1.7
287.23630	9.9
304.26419	3.7
305.24734	39.3
322.27386	100.0
323.10873	6.2
324.11823	10.0
339.10529	2.0
339.14243	17.9
339.30087	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83504	0.2
70.51492	0.2
72.32707	0.2
81.50230	0.3
95.67948	0.3
98.06060	0.6
101.49155	0.3
116.07123	0.6
176.07053	0.6
187.93846	0.2
250.08534	2.2
263.05820	0.5
266.08090	0.4
278.08136	5.0
294.07584	10.9
296.09088	1.7
312.08655	0.3
322.07123	3.6
325.05853	0.6
340.08136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.6
77.43285	0.5
92.24474	0.6
127.03928	0.9
130.63461	0.6
136.50186	0.6
140.62988	0.6
176.07095	2.6
178.05901	0.6
238.08604	0.9
239.09422	0.8
250.08633	3.5
253.07133	0.7
266.08136	5.3
268.09637	5.1
278.08142	8.1
279.08853	1.4
294.07571	20.5
296.09119	8.1
297.09836	1.1
307.08453	1.2
308.08978	2.2
322.07104	35.8
322.10611	2.0
325.09402	17.8
325.12601	0.6
340.08087	100.0
340.11850	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28355	0.6
59.36165	0.7
79.02401	0.7
81.07074	1.1
90.05538	0.9
90.09305	0.9
92.21523	1.6
95.08577	1.1
97.10142	1.0
109.10166	0.8
114.30021	0.9
116.04989	1.6
121.20756	0.8
141.42444	0.8
144.04489	8.3
144.06100	0.9
146.06056	1.1
147.04413	11.1
162.05487	1.4
165.01799	4.9
174.05495	100.0
176.07043	10.0
192.06592	1.5
286.07022	1.1
294.07574	1.4
310.07077	5.7
312.08652	5.8
322.07147	7.2
322.23856	1.3
340.08136	80.8
340.11740	6.7
340.14941	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26704	0.2
53.38848	0.2
58.05232	0.2
58.06604	1.9
65.80972	0.2
68.27393	0.2
69.65652	0.2
70.67624	0.2
91.57842	0.2
146.03215	0.3
147.04404	0.3
159.04175	0.3
161.72328	0.3
176.07053	0.3
177.05536	0.4
178.05801	0.4
178.52190	0.2
202.08510	0.2
206.08136	0.3
207.06372	0.3
225.07794	0.4
248.07056	0.3
250.08643	2.5
263.05786	0.5
278.08127	5.9
294.07626	10.6
296.09134	2.2
306.20993	0.2
310.07327	0.3
310.10657	0.3
312.08624	0.2
322.07098	2.7
322.10544	0.6
325.05789	1.0
325.09476	2.2
325.12875	0.3
340.08160	100.0
340.11594	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.6
77.43285	0.5
92.24474	0.6
127.03928	0.9
130.63461	0.6
136.50186	0.6
140.62988	0.6
176.07095	2.6
178.05901	0.6
238.08604	0.9
239.09422	0.8
250.08633	3.5
253.07133	0.7
266.08136	5.3
268.09637	5.1
278.08142	8.1
279.08853	1.4
294.07571	20.5
296.09119	8.1
297.09836	1.1
307.08453	1.2
308.08978	2.2
322.07104	35.8
322.10611	2.0
325.09402	17.8
325.12601	0.6
340.08087	100.0
340.11850	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.50632	0.3
62.06080	1.3
71.04977	0.2
71.53695	0.3
71.96427	0.2
79.26842	0.3
85.02907	0.3
97.48726	0.3
99.04441	0.3
115.15840	0.3
121.65842	0.3
130.04994	0.3
151.08617	0.3
152.07082	0.3
160.03917	1.9
164.07037	1.3
176.07076	0.6
178.04985	100.0
322.12915	1.1
340.10233	1.8
340.14078	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.43436	0.4
60.50843	0.4
85.02903	0.6
87.04495	0.5
97.02901	0.6
116.05518	0.5
120.08096	0.6
121.06496	0.6
127.03817	0.6
132.04521	0.4
134.28372	0.4
136.06184	1.1
137.19887	0.5
148.06197	3.5
152.44528	0.5
160.03955	2.2
176.07033	0.5
178.04988	100.0
183.67757	0.4
190.07196	1.9
190.08748	0.5
208.08290	15.9
219.33582	0.5
244.66539	0.5
284.09061	0.6
297.06274	0.7
312.08575	0.7
340.10071	4.7
340.13000	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1171
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
53.36148	0.3
91.32963	0.5
115.33567	0.4
117.60294	0.5
128.04987	0.6
133.99046	0.4
156.04442	2.6
174.05397	0.4
186.05505	17.3
187.06297	5.1
251.09352	0.6
264.06537	0.8
277.09869	0.6
278.08096	0.7
279.08746	4.6
290.08072	13.7
292.09406	0.6
293.09836	0.9
294.10315	7.0
295.10611	6.3
296.10831	20.6
306.07355	0.6
306.10480	0.9
307.08322	13.5
307.11551	0.7
308.08905	17.3
309.08539	2.3
310.07300	11.9
318.04315	0.5
323.10110	4.2
324.10379	40.0
325.10880	32.5
325.16956	0.6
340.12759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18461	0.5
60.57890	0.5
61.75297	0.6
112.89706	0.7
120.75712	0.6
147.34982	0.7
151.36363	0.7
156.04431	3.4
186.05501	23.5
187.06293	9.3
250.08597	1.0
251.09427	1.5
262.08441	0.8
278.08063	1.2
279.08911	4.3
290.08084	17.9
294.10248	3.3
295.10501	4.2
296.10901	11.9
307.08310	14.6
307.11041	0.8
308.08994	21.9
309.08578	1.5
310.06851	17.5
323.10141	3.3
324.10461	22.9
325.09897	21.5
339.44641	0.8
340.11649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18461	0.5
60.57890	0.5
61.75297	0.6
112.89706	0.7
120.75712	0.6
147.34982	0.7
151.36363	0.7
156.04431	3.4
186.05501	23.5
187.06293	9.3
250.08597	1.0
251.09427	1.5
262.08441	0.8
278.08063	1.2
279.08911	4.3
290.08084	17.9
294.10248	3.3
295.10501	4.2
296.10901	11.9
307.08310	14.6
307.11041	0.8
308.08994	21.9
309.08578	1.5
310.06851	17.5
323.10141	3.3
324.10461	22.9
325.09897	21.5
339.44641	0.8
340.11649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.117
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
58.32985	0.4
73.62309	0.4
91.49958	0.5
94.84092	0.4
95.97522	0.4
97.70370	0.3
105.32889	0.4
133.08882	0.4
156.04443	3.6
186.05507	20.8
187.06259	8.9
192.92680	0.4
250.08614	0.8
251.09360	1.0
264.06497	0.6
265.73596	0.4
278.08206	0.7
279.08838	5.3
290.04993	0.8
290.08063	17.5
292.06134	0.9
292.09305	0.5
296.10989	0.7
306.07541	0.8
307.08371	14.2
308.09128	22.9
310.07053	17.7
324.08951	2.2
324.10110	2.2
325.09296	18.5
340.11725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1166
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
51.18461	0.5
60.57890	0.5
61.75297	0.6
112.89706	0.7
120.75712	0.6
147.34982	0.7
151.36363	0.7
156.04431	3.4
186.05501	23.5
187.06293	9.3
250.08597	1.0
251.09427	1.5
262.08441	0.8
278.08063	1.2
279.08911	4.3
290.08084	17.9
294.10248	3.3
295.10501	4.2
296.10901	11.9
307.08310	14.6
307.11041	0.8
308.08994	21.9
309.08578	1.5
310.06851	17.5
323.10141	3.3
324.10461	22.9
325.09897	21.5
339.44641	0.8
340.11649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1175
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
53.20169	0.8
94.22110	0.7
133.45216	0.7
186.05432	0.8
208.06657	0.8
218.62549	0.9
266.07883	1.3
282.07614	1.7
296.08838	9.5
296.11710	3.3
304.18933	1.8
307.08255	7.1
308.08804	3.6
309.09180	1.1
310.07056	56.1
322.06488	1.0
322.10233	0.9
322.19843	4.2
323.10922	0.8
324.08115	14.8
324.11328	7.6
325.09250	54.4
325.12158	3.2
340.11465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
51.06133	0.6
58.96373	0.6
59.47800	0.7
66.99035	0.8
69.20661	0.8
77.60184	0.7
78.24246	0.7
78.80653	0.7
79.05426	0.7
95.08599	0.7
100.74493	0.8
116.20218	0.8
123.04377	1.3
137.09425	0.9
150.03122	4.1
175.06279	1.4
176.07056	56.5
190.04977	5.8
232.08473	0.9
295.08228	1.4
296.09064	1.2
308.08759	0.9
310.06976	4.0
324.08536	11.5
325.09344	32.5
325.12842	1.1
340.08328	5.4
340.11691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1174
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
51.73897	0.5
57.38752	0.6
61.38829	0.5
69.03429	0.6
114.09160	1.1
146.49992	0.6
177.05562	0.7
178.05768	2.8
282.07690	4.5
294.10150	3.5
296.09210	8.7
296.11578	2.8
307.08270	6.1
308.09198	1.2
310.07040	100.0
316.86221	0.7
322.09891	0.9
324.10449	15.2
324.43234	0.7
325.09280	79.8
340.11575	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1169
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
56.14197	0.2
60.71515	0.2
63.04212	0.2
72.45221	0.3
109.61044	0.3
123.56133	0.3
128.04890	0.6
156.04463	4.3
166.38535	0.3
178.05742	0.3
186.05508	23.6
187.04787	0.4
187.06294	7.7
226.46582	0.3
248.06905	0.4
250.08472	0.6
251.09290	1.4
262.08606	0.6
264.06412	0.5
278.08026	1.5
279.08865	5.5
290.08109	18.4
292.05869	0.6
293.06738	0.3
294.07291	0.3
294.10425	0.4
295.10739	0.9
296.10962	3.2
306.07419	1.1
307.08368	16.3
308.09134	21.0
309.08554	0.4
310.07025	18.7
324.10638	5.5
325.09134	16.3
340.11676	100.0
358.24008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1179
Annotation	Cerasodine
Peak:m/z	Relative Intensity
52.63384	0.4
53.75148	0.4
59.05006	0.5
61.73908	0.4
92.20929	0.6
95.36697	0.4
97.02887	1.8
98.03237	0.6
101.61491	0.4
137.97101	0.5
146.05980	0.7
221.05865	0.6
240.06503	1.1
240.10158	3.2
250.06258	0.8
250.08481	1.2
251.09395	0.6
252.10258	2.0
254.08156	2.0
255.08926	0.8
262.08728	0.5
264.10220	2.3
265.08179	1.0
266.08087	0.6
268.09830	0.7
269.10297	0.6
270.11157	2.0
276.10373	0.8
278.08127	2.1
279.08926	2.8
280.07050	0.7
280.09866	2.1
281.07986	0.8
281.10727	0.6
282.07571	5.8
284.12830	0.6
289.07257	0.6
292.09583	0.6
293.08014	3.1
294.08743	6.6
296.09357	0.9
297.09943	18.3
304.09610	2.3
306.07562	0.6
307.08417	3.3
308.09338	6.3
310.07028	9.7
310.10385	0.9
311.11411	1.7
312.12329	3.0
322.07175	0.9
322.10678	12.2
324.08398	0.8
325.09146	1.1
325.12463	0.7
338.10339	0.7
340.11771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1176
Annotation	(14R)-Reframidine N-oxide
Peak:m/z	Relative Intensity
52.12508	0.4
70.29014	0.5
75.64919	0.4
77.84972	0.5
81.44669	0.5
121.06487	5.1
143.07138	0.7
156.22104	0.5
162.05447	0.6
164.10663	0.5
172.98483	0.5
178.04979	0.8
179.07002	0.9
199.60617	0.5
225.80859	0.6
249.07803	0.9
250.08606	0.6
262.08560	0.7
263.09390	0.6
264.06573	8.1
264.10168	2.2
266.08176	0.9
277.97440	0.6
278.08051	2.7
279.08920	7.5
280.06100	0.9
282.07355	0.6
290.08063	3.2
292.06015	18.0
292.09219	1.2
293.06924	0.7
293.10492	0.6
294.07629	12.2
294.10947	1.7
295.08444	6.1
296.09091	0.7
306.07547	1.2
307.08365	60.4
308.09146	15.1
309.09970	6.1
310.10666	9.1
322.10712	26.1
323.11453	2.9
324.08566	1.0
325.05765	2.2
325.09491	1.0
338.10229	0.7
340.08307	6.0
340.11780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1176
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
53.17960	0.3
54.70569	0.3
58.06593	2.4
66.30822	0.5
68.84860	0.3
83.28544	0.4
98.06049	0.5
106.31615	0.4
116.07076	0.6
144.72047	0.4
172.96742	0.4
179.08760	0.5
189.06987	1.6
207.08020	2.6
208.08238	0.5
217.06551	4.2
220.05145	4.4
233.05898	0.4
235.07523	9.9
245.06036	2.2
248.04750	0.5
263.07037	20.0
264.64014	0.5
265.11063	0.7
266.08237	1.6
280.09686	2.2
293.07043	0.4
293.10501	0.5
294.07748	6.6
294.10883	1.0
295.09674	12.0
297.09964	2.0
307.08377	0.8
308.09155	5.8
308.12820	2.1
309.13849	0.5
310.10684	2.4
312.12262	5.2
322.07242	1.5
322.10660	0.7
324.12180	2.0
325.09238	0.9
325.12775	1.8
338.10269	0.6
340.08292	4.3
340.11780	100.0
340.15424	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1177
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
71.04972	0.9
79.62212	0.8
81.07055	1.0
88.75603	0.9
91.05479	1.4
94.77895	0.8
107.08514	0.8
139.57326	0.8
149.06017	1.3
161.56767	0.9
174.05516	15.2
176.06972	1.1
186.05508	1.6
187.61212	1.0
280.06180	1.6
282.07562	0.9
290.08044	2.0
296.12036	1.2
307.08139	2.1
308.09097	3.7
310.07037	18.6
310.10345	1.5
322.27551	1.3
324.05096	3.5
324.08621	6.3
324.11771	3.2
325.05948	3.8
325.09344	69.7
340.08035	34.7
340.11810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1176
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
52.88739	0.2
58.06593	1.8
63.76019	0.3
68.21053	0.3
80.59119	0.3
98.06044	0.4
109.63551	0.3
116.07072	2.0
149.52817	0.3
190.08553	0.4
206.08098	2.8
220.05257	0.5
229.61224	0.4
230.66669	0.3
235.07458	1.9
245.05891	0.5
263.06989	3.8
266.08112	2.5
268.09738	0.4
278.08133	1.3
280.09619	1.4
281.07895	1.4
294.07516	7.1
295.06451	0.3
295.09494	2.3
296.09314	0.7
297.09763	0.7
308.09259	5.0
308.12543	0.7
310.10565	0.5
312.12241	4.7
322.07071	5.4
322.10480	0.9
325.09247	1.3
325.13074	0.6
338.10071	0.5
340.08096	11.2
340.11734	100.0
357.03766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1179
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
58.06607	18.2
64.85401	0.8
65.15398	0.6
118.80548	0.7
121.06521	1.0
132.45253	0.8
197.47348	0.9
279.09183	0.9
282.07663	1.4
296.09183	32.5
304.19089	2.9
308.09229	7.6
309.10031	0.9
310.07077	11.1
310.10690	2.9
311.08807	3.0
322.07104	4.1
322.19910	1.2
324.08664	45.2
324.12146	4.6
325.09470	43.8
325.12985	5.4
340.08368	4.4
340.11746	100.0
340.15472	21.0
340.20703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1174
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
56.47483	0.9
58.05848	0.8
61.07821	1.0
67.79302	1.0
82.21697	1.0
82.34133	1.0
116.04935	0.9
120.82522	0.9
124.62298	1.0
132.91103	1.0
144.04387	6.5
147.04340	5.4
147.59601	0.9
163.43311	0.9
165.05377	1.1
174.05482	57.3
176.06844	1.2
195.74300	1.0
236.33170	1.0
250.08566	1.7
279.09036	1.3
280.09607	5.1
282.07065	1.2
292.05930	1.2
297.09784	6.2
307.08420	1.8
308.09100	26.9
309.05927	1.0
309.09912	1.9
310.06110	12.7
312.12219	1.8
324.11499	4.1
325.09036	17.2
325.12427	1.2
340.11563	100.0
347.87289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1176
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
56.72021	0.6
81.07108	0.8
149.05936	1.3
154.99557	0.9
174.05455	8.3
176.07063	6.1
176.34692	0.8
180.46950	0.7
278.07947	2.9
282.07404	0.9
292.06152	1.4
294.07455	1.4
295.04639	1.0
295.08038	0.8
296.09033	5.8
306.07495	9.5
307.08371	14.0
309.09698	1.4
310.07074	22.8
312.08664	1.1
322.07059	3.2
322.10706	1.4
323.07703	4.0
324.08585	18.0
324.11957	1.2
325.09305	24.5
325.12772	1.6
338.10202	10.2
340.08124	11.6
340.11719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
50.09161	0.4
52.50822	0.5
63.04863	0.4
91.78359	0.5
121.06539	0.7
126.02001	0.5
153.86154	0.6
190.09756	0.5
194.07082	0.5
208.10764	0.8
248.82349	0.5
263.07019	0.7
279.08798	0.9
282.07773	1.0
295.09100	0.7
296.09189	26.3
297.46814	0.7
307.08487	0.8
308.09106	5.1
310.07126	10.0
310.10489	1.0
324.08643	32.6
324.12415	1.2
325.05347	0.7
325.06482	0.7
325.09421	41.8
340.11783	100.0
340.15259	5.1
356.02420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.118
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
58.06602	3.1
70.67234	0.6
76.77528	0.6
85.13005	0.6
92.21897	0.6
106.52400	0.7
117.18980	0.6
121.06548	0.7
146.11179	0.7
155.77919	0.8
178.05914	0.8
191.45160	0.7
206.03781	0.6
223.10191	0.8
257.41153	0.6
266.08005	0.7
268.09607	1.3
278.08124	3.0
279.08890	5.2
282.07623	3.2
294.07565	3.7
296.09140	3.5
297.09970	3.1
307.08447	4.5
310.06940	1.2
322.07071	6.5
325.09448	100.0
340.08044	26.4
340.11807	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.1
70.67234	0.6
76.77528	0.6
85.13005	0.6
92.21897	0.6
106.52400	0.7
117.18980	0.6
121.06548	0.7
146.11179	0.7
155.77919	0.8
178.05914	0.8
191.45160	0.7
206.03781	0.6
223.10191	0.8
257.41153	0.6
266.08005	0.7
268.09607	1.3
278.08124	3.0
279.08890	5.2
282.07623	3.2
294.07565	3.7
296.09140	3.5
297.09970	3.1
307.08447	4.5
310.06940	1.2
322.07071	6.5
325.09448	100.0
340.08044	26.4
340.11807	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26482	0.2
56.92691	0.2
60.11821	0.2
63.80963	0.2
68.05087	0.2
70.58971	0.2
70.95007	0.2
71.49728	0.2
71.91853	0.2
100.18822	0.2
102.87843	0.2
121.06510	1.1
136.05119	0.3
151.52606	0.2
159.42194	0.3
162.05460	0.6
164.10715	0.3
169.00346	0.3
179.07042	1.3
187.31013	0.3
225.01208	0.3
249.07793	0.4
250.08559	0.5
252.06615	0.3
253.07104	0.3
262.08658	0.5
263.09360	1.5
264.06540	8.5
264.10135	2.6
265.07318	0.4
266.08112	1.8
276.10208	0.5
278.08142	2.6
279.08875	7.3
280.06064	1.4
290.08066	2.7
292.06088	15.6
292.09619	1.9
293.06790	0.4
293.10205	0.5
294.07587	11.4
294.11148	2.5
295.08359	6.8
296.09088	1.5
297.06216	0.4
306.07602	1.7
307.08380	63.9
308.09146	15.8
309.09952	6.0
310.07239	0.8
310.10660	8.9
312.08704	0.6
321.10242	0.3
322.07523	0.8
322.10712	23.8
323.07910	0.5
323.11520	2.9
324.08673	1.6
325.09341	1.1
338.10107	1.0
340.08401	4.0
340.11783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1179
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
58.06607	18.2
64.85401	0.8
65.15398	0.6
118.80548	0.7
121.06521	1.0
132.45253	0.8
197.47348	0.9
279.09183	0.9
282.07663	1.4
296.09183	32.5
304.19089	2.9
308.09229	7.6
309.10031	0.9
310.07077	11.1
310.10690	2.9
311.08807	3.0
322.07104	4.1
322.19910	1.2
324.08664	45.2
324.12146	4.6
325.09470	43.8
325.12985	5.4
340.08368	4.4
340.11746	100.0
340.15472	21.0
340.20703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1179
Annotation	Cerasodine
Peak:m/z	Relative Intensity
50.36450	0.6
58.19968	0.6
70.06601	1.2
81.85595	0.7
85.77333	0.7
97.86400	0.7
101.21432	0.7
111.24413	0.7
114.95473	0.7
115.88736	0.7
118.75368	0.7
119.04863	0.9
126.21789	0.8
130.59074	0.8
133.06425	0.7
137.05983	1.2
143.10663	1.2
165.09166	1.0
176.07083	1.8
178.08530	1.0
179.07024	1.2
211.34695	0.7
228.24527	0.8
264.06580	8.0
264.09482	0.7
266.08115	0.9
278.08087	3.1
279.08890	6.6
280.06091	1.2
280.09732	0.9
281.09128	1.7
290.08032	3.0
292.06046	13.8
292.09290	1.8
294.07626	10.9
294.11011	1.2
295.08377	6.2
296.09186	2.9
303.78329	0.9
307.08386	57.7
308.09137	14.4
309.09836	5.6
310.10733	6.6
312.08475	1.6
322.07233	1.3
322.10657	22.3
323.11462	1.7
324.08502	2.8
325.05707	3.3
325.09460	4.2
340.08060	25.1
340.11813	100.0
340.15143	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
54.00045	0.5
54.08782	0.5
56.12321	0.5
63.98465	0.6
67.26058	0.5
123.73750	0.6
140.32240	0.6
143.30708	0.6
165.05455	1.4
202.75908	0.7
222.09088	2.8
250.08571	4.1
251.09340	4.3
253.07343	1.2
254.08018	3.4
264.06592	1.0
265.07294	14.9
266.08002	0.7
278.08041	3.7
279.09003	1.4
280.06583	1.0
280.09680	27.0
282.07678	6.5
290.08783	0.8
293.06619	2.2
294.07611	8.6
294.10544	1.2
294.52127	0.7
295.08273	3.2
296.08990	2.5
296.11948	1.2
307.08328	3.8
308.09155	60.1
309.09930	12.4
310.07007	13.9
310.10217	1.3
312.12012	3.0
323.11371	2.8
324.08350	11.7
324.11459	2.6
324.41965	0.6
325.09055	11.3
325.12238	2.7
338.07520	0.6
340.11658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88739	0.2
58.06593	1.8
63.76019	0.3
68.21053	0.3
80.59119	0.3
98.06044	0.4
109.63551	0.3
116.07072	2.0
149.52817	0.3
190.08553	0.4
206.08098	2.8
220.05257	0.5
229.61224	0.4
230.66669	0.3
235.07458	1.9
245.05891	0.5
263.06989	3.8
266.08112	2.5
268.09738	0.4
278.08133	1.3
280.09619	1.4
281.07895	1.4
294.07516	7.1
295.06451	0.3
295.09494	2.3
296.09314	0.7
297.09763	0.7
308.09259	5.0
308.12543	0.7
310.10565	0.5
312.12241	4.7
322.07071	5.4
322.10480	0.9
325.09247	1.3
325.13074	0.6
338.10071	0.5
340.08096	11.2
340.11734	100.0
357.03766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.1
70.67234	0.6
76.77528	0.6
85.13005	0.6
92.21897	0.6
106.52400	0.7
117.18980	0.6
121.06548	0.7
146.11179	0.7
155.77919	0.8
178.05914	0.8
191.45160	0.7
206.03781	0.6
223.10191	0.8
257.41153	0.6
266.08005	0.7
268.09607	1.3
278.08124	3.0
279.08890	5.2
282.07623	3.2
294.07565	3.7
296.09140	3.5
297.09970	3.1
307.08447	4.5
310.06940	1.2
322.07071	6.5
325.09448	100.0
340.08044	26.4
340.11807	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04542	0.5
58.33031	0.6
72.35902	0.6
79.15387	0.6
116.04935	3.1
134.05963	2.7
144.04445	9.1
145.06435	0.9
146.05939	3.1
147.03529	0.6
147.04405	10.3
159.07996	1.2
165.05453	5.7
167.06966	2.8
174.05499	100.0
176.07037	1.2
180.07822	0.8
192.06488	2.9
219.07970	1.0
237.09058	2.6
247.07472	3.0
248.08003	0.7
250.06140	1.5
250.08493	1.3
265.08597	6.2
277.08487	2.9
280.09671	1.5
281.28711	0.8
291.09790	0.7
293.07953	4.9
294.08838	0.9
296.08966	1.3
297.11182	8.7
308.09094	11.6
309.10016	3.5
310.07114	0.8
312.12140	4.2
323.11496	0.9
324.11411	1.0
325.09393	6.5
339.12201	0.9
340.11893	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49780	0.3
55.53698	0.3
57.50030	0.3
97.02900	0.5
121.06498	0.8
178.08626	100.0
191.57297	0.4
294.32187	0.5
340.13907	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.139
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06048	0.3
62.72940	0.3
69.03429	0.4
89.09848	0.4
130.95418	0.4
136.07553	0.6
148.65028	0.4
161.04507	0.4
176.07001	0.8
178.05350	2.6
178.08617	100.0
192.82521	0.4
218.03264	0.3
219.39369	0.4
340.13913	22.3
356.65665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26417	0.4
74.90468	0.4
97.59557	0.4
208.22240	0.6
213.38667	0.4
267.12076	0.4
269.35339	0.4
281.09613	2.0
282.10101	0.8
294.11169	2.7
295.11478	5.4
296.11868	23.4
307.11313	0.7
308.11795	5.2
309.09302	3.1
310.09760	11.5
323.11035	3.1
324.11359	35.2
325.08054	0.9
325.12109	40.4
340.14459	100.0
341.09482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	14.2
66.44405	0.7
69.37437	0.7
71.31059	0.6
73.32619	0.6
85.98853	0.7
90.02133	0.7
95.06084	0.8
114.38515	0.6
132.48546	0.8
136.06244	1.2
141.17563	0.7
175.74092	0.7
177.05466	1.0
179.08537	0.9
189.06973	9.4
190.08617	3.1
205.06438	1.6
206.08174	5.1
206.11758	1.0
207.08066	7.1
217.06482	15.7
220.05135	17.1
221.05870	1.0
222.06828	0.7
226.06215	0.9
233.05928	3.1
234.06728	4.5
235.07524	42.9
237.09216	0.8
237.15900	1.1
239.07033	1.0
245.05853	7.4
246.06679	0.9
248.04572	1.5
249.09077	3.3
262.06244	1.2
263.07007	85.2
264.07635	1.1
264.10132	2.5
265.08533	2.7
265.11035	4.4
266.08276	0.9
269.08047	1.3
277.08527	4.3
278.07904	0.9
280.06979	4.4
280.09811	0.9
280.13312	1.3
281.08026	3.2
290.11661	1.2
292.09579	2.7
293.10440	4.9
294.07587	4.8
294.11105	3.6
295.09619	52.2
296.09238	2.8
297.09863	3.6
307.08304	1.6
308.09109	5.0
308.12775	11.8
309.10300	0.9
309.13641	4.1
310.07315	1.3
310.10712	7.7
312.08932	1.0
312.12219	5.5
322.07028	0.8
322.10620	2.7
324.08691	1.5
324.12210	13.3
325.05786	1.7
325.09348	11.3
325.13025	10.5
338.14059	0.8
340.08145	10.5
340.11691	100.0
340.15448	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72600	0.5
55.48137	0.6
58.06613	5.8
67.71528	0.6
69.63431	0.6
71.34183	0.6
71.38998	0.7
160.41060	0.6
190.08562	0.8
266.11655	0.7
280.13318	3.2
287.57971	0.7
293.10489	1.0
296.09088	1.0
308.12796	8.1
309.09967	6.3
309.13348	1.8
310.07272	0.9
310.10635	7.3
316.70825	0.7
323.11642	0.9
324.09329	3.0
324.12286	81.5
325.09528	3.1
325.13055	67.7
338.13858	1.0
340.11716	10.9
340.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1541
Annotation	Eschscholtzidine
Peak:m/z	Relative Intensity
52.79099	0.2
58.06588	0.3
58.61586	0.2
64.61511	0.2
96.08110	1.0
99.04559	0.3
113.10792	0.4
114.09130	1.6
162.43126	0.3
209.16531	2.0
227.17517	0.5
265.08481	0.5
265.11023	0.4
277.08530	1.0
280.13348	3.3
291.10144	0.5
293.10339	1.5
294.11447	0.3
296.09491	0.4
296.12830	1.4
307.08475	0.3
307.11945	0.4
307.76102	0.3
308.09470	0.5
308.12781	8.9
309.09915	6.4
309.13525	2.4
310.10718	6.4
320.00803	0.3
322.10773	0.5
322.24887	1.6
323.11685	1.1
324.12292	85.1
325.13071	66.0
338.13855	1.6
340.11975	3.9
340.15427	100.0
340.25870	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1541
Annotation	Eschscholtzidine
Peak:m/z	Relative Intensity
58.06606	0.7
58.80336	0.3
67.30643	0.3
74.06084	0.4
86.91239	0.4
93.14445	0.5
105.31465	0.4
143.10654	0.5
145.02887	0.6
146.03226	0.6
177.05423	0.9
178.05829	1.4
237.09158	0.6
265.08490	0.8
265.10968	0.5
277.08551	0.8
280.10315	0.4
280.13275	2.6
280.46570	0.4
288.48605	0.4
291.09747	0.4
293.10489	1.5
294.07700	0.4
294.11273	0.6
296.12943	0.8
297.13760	0.5
308.09244	0.6
308.12729	10.8
309.09961	7.8
309.13531	1.4
310.10635	7.3
323.11450	1.8
324.12286	92.2
325.09601	3.0
325.13055	70.9
338.13803	2.1
340.11911	5.5
340.15414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1541
Annotation	Eschscholtzidine
Peak:m/z	Relative Intensity
55.56889	0.2
55.62614	0.2
58.06567	0.4
62.78970	0.2
115.46436	0.3
132.47371	0.2
146.27963	0.3
249.09087	0.3
263.07288	0.3
265.08481	0.9
265.11020	0.6
277.08527	0.4
280.13290	3.6
291.10043	0.4
293.10461	1.3
294.08090	0.2
296.12708	1.1
297.11026	0.4
307.12018	0.4
308.12787	9.3
309.09958	7.4
309.13559	1.5
310.10703	5.2
310.14020	0.4
311.33939	0.2
323.11426	1.2
324.12296	84.4
325.13077	65.2
338.14005	0.9
340.15427	100.0
351.72208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.154
Annotation	Eschscholtzidine
Peak:m/z	Relative Intensity
58.06601	1.9
62.48524	1.0
76.14504	1.0
79.34739	1.0
80.06267	1.1
151.07594	2.1
160.23311	1.0
182.62476	1.0
187.54297	1.0
189.53268	1.2
190.08656	1.5
254.15263	1.2
294.11298	1.9
296.12903	1.2
306.74994	1.2
308.12094	1.9
309.13181	1.9
310.10715	2.2
322.10593	2.0
323.11115	1.7
324.12164	85.5
325.12918	49.7
338.13586	5.5
339.14056	11.4
340.15240	100.0
340.26123	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04940	0.4
54.80719	0.4
63.09570	0.4
111.09209	0.5
144.68761	0.4
204.90372	0.5
215.43616	0.6
221.03302	0.5
265.08585	0.8
280.13367	2.3
283.70364	0.5
296.12851	0.9
297.13834	0.6
308.12717	9.0
309.09961	7.1
309.13510	1.9
310.10641	4.8
323.11456	0.8
324.12280	84.4
325.13065	60.0
338.13849	1.0
340.11920	4.3
340.15408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04940	0.4
54.80719	0.4
63.09570	0.4
111.09209	0.5
144.68761	0.4
204.90372	0.5
215.43616	0.6
221.03302	0.5
265.08585	0.8
280.13367	2.3
283.70364	0.5
296.12851	0.9
297.13834	0.6
308.12717	9.0
309.09961	7.1
309.13510	1.9
310.10641	4.8
323.11456	0.8
324.12280	84.4
325.13065	60.0
338.13849	1.0
340.11920	4.3
340.15408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1545
Annotation	3-O-Demethylthalicthuberine
Peak:m/z	Relative Intensity
58.06604	14.2
66.44405	0.7
69.37437	0.7
71.31059	0.6
73.32619	0.6
85.98853	0.7
90.02133	0.7
95.06084	0.8
114.38515	0.6
132.48546	0.8
136.06244	1.2
141.17563	0.7
175.74092	0.7
177.05466	1.0
179.08537	0.9
189.06973	9.4
190.08617	3.1
205.06438	1.6
206.08174	5.1
206.11758	1.0
207.08066	7.1
217.06482	15.7
220.05135	17.1
221.05870	1.0
222.06828	0.7
226.06215	0.9
233.05928	3.1
234.06728	4.5
235.07524	42.9
237.09216	0.8
237.15900	1.1
239.07033	1.0
245.05853	7.4
246.06679	0.9
248.04572	1.5
249.09077	3.3
262.06244	1.2
263.07007	85.2
264.07635	1.1
264.10132	2.5
265.08533	2.7
265.11035	4.4
266.08276	0.9
269.08047	1.3
277.08527	4.3
278.07904	0.9
280.06979	4.4
280.09811	0.9
280.13312	1.3
281.08026	3.2
290.11661	1.2
292.09579	2.7
293.10440	4.9
294.07587	4.8
294.11105	3.6
295.09619	52.2
296.09238	2.8
297.09863	3.6
307.08304	1.6
308.09109	5.0
308.12775	11.8
309.10300	0.9
309.13641	4.1
310.07315	1.3
310.10712	7.7
312.08932	1.0
312.12219	5.5
322.07028	0.8
322.10620	2.7
324.08691	1.5
324.12210	13.3
325.05786	1.7
325.09348	11.3
325.13025	10.5
338.14059	0.8
340.08145	10.5
340.11691	100.0
340.15448	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	14.2
66.44405	0.7
69.37437	0.7
71.31059	0.6
73.32619	0.6
85.98853	0.7
90.02133	0.7
95.06084	0.8
114.38515	0.6
132.48546	0.8
136.06244	1.2
141.17563	0.7
175.74092	0.7
177.05466	1.0
179.08537	0.9
189.06973	9.4
190.08617	3.1
205.06438	1.6
206.08174	5.1
206.11758	1.0
207.08066	7.1
217.06482	15.7
220.05135	17.1
221.05870	1.0
222.06828	0.7
226.06215	0.9
233.05928	3.1
234.06728	4.5
235.07524	42.9
237.09216	0.8
237.15900	1.1
239.07033	1.0
245.05853	7.4
246.06679	0.9
248.04572	1.5
249.09077	3.3
262.06244	1.2
263.07007	85.2
264.07635	1.1
264.10132	2.5
265.08533	2.7
265.11035	4.4
266.08276	0.9
269.08047	1.3
277.08527	4.3
278.07904	0.9
280.06979	4.4
280.09811	0.9
280.13312	1.3
281.08026	3.2
290.11661	1.2
292.09579	2.7
293.10440	4.9
294.07587	4.8
294.11105	3.6
295.09619	52.2
296.09238	2.8
297.09863	3.6
307.08304	1.6
308.09109	5.0
308.12775	11.8
309.10300	0.9
309.13641	4.1
310.07315	1.3
310.10712	7.7
312.08932	1.0
312.12219	5.5
322.07028	0.8
322.10620	2.7
324.08691	1.5
324.12210	13.3
325.05786	1.7
325.09348	11.3
325.13025	10.5
338.14059	0.8
340.08145	10.5
340.11691	100.0
340.15448	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1539
Annotation	Isoapocavidine
Peak:m/z	Relative Intensity
54.36398	0.2
56.23048	0.3
58.06615	2.6
60.55126	0.3
69.07082	0.7
70.28621	0.3
87.00700	0.3
92.28786	0.3
96.08135	5.9
97.06536	0.3
113.10789	3.0
114.09168	8.1
124.81155	0.3
151.07571	0.4
176.06999	0.8
190.08627	35.0
209.16486	10.8
226.19077	1.2
227.17480	3.3
228.15895	0.5
245.36148	0.3
263.07043	0.7
266.09482	0.5
277.08563	0.6
280.13412	0.6
283.23538	0.4
294.07941	0.5
294.11270	1.3
294.14893	2.4
296.09476	0.5
296.12885	0.7
302.44266	0.4
307.08313	0.5
308.09082	1.3
308.12799	5.6
309.09924	3.5
309.13629	2.8
310.10632	7.7
322.07156	0.5
322.10693	1.2
322.14191	1.3
322.24884	6.7
323.11365	1.6
324.12299	74.9
325.09738	1.8
325.13058	53.7
338.13776	3.4
340.11874	5.5
340.15424	100.0
340.25940	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	14.2
66.44405	0.7
69.37437	0.7
71.31059	0.6
73.32619	0.6
85.98853	0.7
90.02133	0.7
95.06084	0.8
114.38515	0.6
132.48546	0.8
136.06244	1.2
141.17563	0.7
175.74092	0.7
177.05466	1.0
179.08537	0.9
189.06973	9.4
190.08617	3.1
205.06438	1.6
206.08174	5.1
206.11758	1.0
207.08066	7.1
217.06482	15.7
220.05135	17.1
221.05870	1.0
222.06828	0.7
226.06215	0.9
233.05928	3.1
234.06728	4.5
235.07524	42.9
237.09216	0.8
237.15900	1.1
239.07033	1.0
245.05853	7.4
246.06679	0.9
248.04572	1.5
249.09077	3.3
262.06244	1.2
263.07007	85.2
264.07635	1.1
264.10132	2.5
265.08533	2.7
265.11035	4.4
266.08276	0.9
269.08047	1.3
277.08527	4.3
278.07904	0.9
280.06979	4.4
280.09811	0.9
280.13312	1.3
281.08026	3.2
290.11661	1.2
292.09579	2.7
293.10440	4.9
294.07587	4.8
294.11105	3.6
295.09619	52.2
296.09238	2.8
297.09863	3.6
307.08304	1.6
308.09109	5.0
308.12775	11.8
309.10300	0.9
309.13641	4.1
310.07315	1.3
310.10712	7.7
312.08932	1.0
312.12219	5.5
322.07028	0.8
322.10620	2.7
324.08691	1.5
324.12210	13.3
325.05786	1.7
325.09348	11.3
325.13025	10.5
338.14059	0.8
340.08145	10.5
340.11691	100.0
340.15448	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
58.06598	3.8
65.71600	0.7
69.03416	3.9
69.07051	1.0
81.03410	0.7
81.07059	1.9
83.08623	43.7
85.02894	6.0
97.02857	1.4
97.10172	21.3
99.08095	3.0
101.05981	1.1
102.05903	0.7
107.08627	0.9
121.06482	1.1
125.09641	7.7
132.85898	0.8
143.10675	100.0
145.02846	3.4
146.03163	4.4
147.04425	9.9
148.04745	12.1
161.11720	23.6
176.07085	1.2
177.05461	7.1
178.05844	8.9
310.10577	1.4
312.08813	0.9
322.10391	2.9
324.12076	1.0
325.09335	4.2
325.12869	1.6
340.08038	4.2
340.11707	13.6
340.15088	5.5
340.21259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26921	1.3
54.04543	1.4
55.81202	1.3
57.07079	7.6
58.12808	1.4
58.82705	1.4
64.32596	1.4
66.56762	1.4
74.06091	1.6
78.74289	1.4
79.81940	1.4
85.96515	1.4
90.48611	1.5
105.07089	1.8
107.64989	1.7
108.05721	1.8
108.83678	1.5
119.08533	1.8
121.06515	23.2
121.10182	1.8
135.08029	2.2
137.09605	2.9
149.09622	86.1
156.36292	1.9
161.09596	39.2
164.11955	48.7
169.32741	1.9
176.12001	2.2
177.12735	100.0
193.43457	1.9
227.10712	1.9
228.11473	2.8
269.15598	2.9
283.16895	2.5
284.17575	36.2
310.07101	2.3
324.08691	3.0
340.08121	4.3
340.11615	17.7
340.23853	67.7
340.27707	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27632	0.9
58.25532	0.9
63.62816	0.9
69.07058	6.0
79.05515	1.3
79.32224	1.2
89.70242	1.0
96.08128	32.5
109.02856	1.5
113.10760	17.7
114.09166	38.6
115.07569	1.7
133.97769	1.5
145.02840	5.7
146.03186	6.9
177.05499	10.7
178.05811	19.2
209.16483	65.4
226.19133	7.5
227.17523	20.5
228.15990	2.2
258.79504	1.1
275.58914	1.1
322.10056	4.9
322.24896	40.8
340.07907	1.8
340.11523	5.8
340.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27632	0.9
58.25532	0.9
63.62816	0.9
69.07058	6.0
79.05515	1.3
79.32224	1.2
89.70242	1.0
96.08128	32.5
109.02856	1.5
113.10760	17.7
114.09166	38.6
115.07569	1.7
133.97769	1.5
145.02840	5.7
146.03186	6.9
177.05499	10.7
178.05811	19.2
209.16483	65.4
226.19133	7.5
227.17523	20.5
228.15990	2.2
258.79504	1.1
275.58914	1.1
322.10056	4.9
322.24896	40.8
340.07907	1.8
340.11523	5.8
340.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2818
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
67.05475	1.2
109.09970	0.9
112.74985	0.9
118.44373	0.9
135.27615	0.9
159.98166	0.9
161.11243	0.9
206.99246	0.8
211.86409	0.8
305.24689	1.1
308.88605	0.9
322.27240	2.0
325.08725	1.2
325.12247	1.5
335.98624	1.0
340.08252	1.0
340.11719	4.9
340.15048	1.8
340.28229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.282
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
52.35128	0.7
58.12294	0.9
65.72884	0.9
67.05524	1.5
81.07053	3.9
87.50787	0.9
93.07059	1.3
95.08622	4.1
107.21714	1.0
184.87714	1.0
259.16861	8.7
305.24738	1.7
322.27429	2.1
323.25693	3.5
324.08661	1.5
325.09073	1.1
340.11621	7.3
340.15341	1.7
340.28232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.48453	0.7
57.07080	0.8
67.05508	1.8
69.07067	0.8
69.76408	0.7
79.05473	1.0
81.07070	1.5
82.07417	0.7
83.08621	1.0
86.33765	0.8
93.07041	1.8
95.08614	1.6
103.06442	0.9
107.08556	0.9
108.53323	0.8
109.10154	1.1
120.26742	0.9
135.11736	0.9
174.05522	1.5
186.05501	1.0
217.04982	1.1
218.05161	1.3
241.72777	0.8
290.07965	1.1
305.24829	1.6
307.07928	1.2
309.06027	1.5
310.06277	12.5
322.10553	1.0
323.10989	1.0
324.08319	8.2
325.08459	72.8
339.10822	1.3
340.10907	100.0
340.28247	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17075	4.7
54.40400	5.1
55.05520	12.2
57.03439	6.9
57.07087	10.2
57.20919	4.7
60.07877	5.3
67.05498	49.0
68.05838	5.1
69.07060	39.3
71.04990	28.6
71.08622	7.5
79.05491	28.5
81.07060	81.0
82.07405	6.3
83.08616	28.7
85.10201	12.6
87.84035	6.4
93.07029	48.4
94.07362	6.3
95.04971	7.7
95.08611	70.9
97.06543	7.3
97.10191	6.6
105.07075	13.9
107.08612	31.6
107.56217	5.8
109.06494	7.7
109.10162	31.2
115.11279	5.7
116.19732	6.2
119.08546	11.0
121.10126	33.9
123.11713	10.9
131.08557	25.2
133.10121	29.3
135.11652	28.7
147.11681	14.5
149.13272	13.7
154.12296	6.9
158.03256	5.9
165.12761	23.6
173.04123	5.5
175.14796	5.9
193.15750	7.8
230.19891	8.6
248.20929	13.9
252.23344	7.1
259.16864	25.0
287.23901	12.2
305.24722	85.4
322.27414	85.4
323.25790	74.9
325.08966	27.6
340.11121	58.8
340.14917	25.8
340.24969	6.4
340.28329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47037	1.4
53.56910	1.4
55.05524	12.5
56.05030	3.7
57.07077	8.3
58.06604	15.1
62.06094	12.5
62.77131	1.2
67.05502	10.4
69.07074	17.6
70.06588	12.0
70.07453	1.6
76.07642	29.0
78.44233	1.4
79.05485	1.9
81.07049	17.4
83.08632	8.2
89.95792	1.4
93.07030	2.8
95.08589	17.8
97.10172	7.2
98.09711	2.1
105.07050	4.0
107.08598	3.1
108.17078	1.9
109.10158	9.1
111.08087	1.9
119.08552	3.3
121.10123	11.7
122.10503	3.0
126.12796	3.4
126.44469	1.8
128.14363	19.6
133.10127	7.1
134.10468	2.7
135.11734	1.8
147.11676	9.9
148.11967	2.6
168.17482	12.3
175.11195	4.0
176.11438	3.2
182.15430	13.7
184.13197	2.0
200.16435	14.4
219.47304	1.6
222.18431	6.2
240.19569	15.5
257.57495	1.7
278.24976	2.2
283.16898	8.8
284.17267	38.5
296.25995	5.4
322.27411	5.6
323.27634	2.2
324.08658	3.1
325.09549	2.1
340.11676	14.2
340.15601	2.1
340.23608	20.2
340.28516	100.0
340.32068	22.9
340.70834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.8
55.16901	0.5
57.07080	4.3
60.04530	23.8
63.41442	0.4
67.05504	7.4
69.07066	16.2
70.63132	0.4
71.08628	1.9
79.05484	2.3
81.07052	11.9
83.04999	0.9
83.08620	14.6
85.10179	0.7
85.80042	0.5
90.44037	0.5
91.05511	1.8
93.07030	2.9
95.08607	12.6
97.10171	9.3
105.07030	2.3
107.08569	3.0
109.06574	0.7
109.10159	8.3
110.81270	0.5
111.11714	2.8
119.08570	2.8
121.10146	3.2
123.08018	0.6
123.11729	3.8
124.77621	0.5
127.07592	0.6
128.14340	2.7
133.10152	5.0
135.11685	2.6
137.09631	2.4
137.13226	0.8
142.15900	13.7
147.11742	3.7
151.11154	1.0
151.68874	0.6
154.12227	6.2
161.13225	2.6
172.13332	5.0
175.14748	0.8
179.14212	0.6
182.19090	0.7
184.17064	0.7
245.22650	2.5
248.16626	0.5
262.25235	0.7
263.23706	3.9
280.23972	0.7
280.26321	34.8
298.27390	64.2
319.79065	0.6
322.27399	1.9
340.11618	1.0
340.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
55.05507	6.4
58.06601	3.1
60.04518	16.8
67.05502	13.2
69.07062	20.7
70.06593	27.1
70.53873	3.3
77.26186	3.3
81.07056	21.7
83.08612	13.5
84.04491	5.0
84.65644	3.3
93.07037	4.9
95.08594	33.0
96.08152	4.2
97.10194	7.4
109.10142	7.2
118.56879	3.3
121.10142	7.5
122.01903	4.1
135.11652	7.1
168.17491	31.2
180.13809	16.2
198.14861	38.6
266.01282	3.8
280.26248	15.7
281.24677	5.7
298.27411	20.4
322.27304	15.6
340.11935	5.3
340.28418	100.0
360.35745	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62002	2.3
55.05520	7.2
57.07078	36.4
65.99439	2.4
67.05508	20.8
69.07058	12.8
79.05495	19.5
81.03402	5.4
81.07061	30.8
83.08622	11.3
91.05475	5.9
93.07059	20.1
95.04982	20.2
95.08591	22.5
97.06474	3.4
97.10186	4.9
105.07053	5.0
107.08550	10.4
109.10127	6.5
113.09624	3.6
119.08607	4.6
121.10148	20.2
123.08062	4.0
123.11729	5.6
125.53584	2.8
127.11198	5.4
133.10097	4.5
135.11710	6.3
139.11122	3.0
147.11674	5.3
149.13173	3.6
165.12747	4.7
171.11699	3.4
174.05522	4.0
179.14284	19.8
184.13269	3.5
221.15408	5.5
305.24728	74.6
322.27386	100.0
323.25735	61.5
324.08591	3.5
325.09039	6.4
340.08029	6.2
340.11688	38.6
340.15656	12.1
340.28287	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.3
57.07087	24.3
63.44453	3.0
63.54548	2.7
65.17589	2.3
66.37448	2.4
67.05512	31.6
69.07063	17.1
71.04986	3.7
71.08639	29.3
72.68713	2.1
73.88823	2.3
79.05489	10.8
81.03423	5.8
81.07061	29.7
83.05006	3.8
83.08624	14.3
91.05473	3.0
93.07041	21.4
95.04976	25.3
95.08603	21.1
95.98048	2.6
97.10168	11.9
105.07025	6.5
107.08606	12.5
109.10146	13.0
117.07085	2.9
119.08569	4.1
119.91139	2.6
121.10149	14.7
123.08091	3.9
123.11749	5.2
129.27921	2.5
129.29898	2.6
133.10126	3.6
135.11716	5.1
137.09689	3.7
141.12796	9.5
145.10185	4.2
147.11725	11.7
149.09569	4.2
161.13226	13.3
165.12704	3.4
179.14386	4.3
186.05530	3.7
193.15878	30.6
200.16467	2.6
203.95099	2.8
207.13737	3.6
207.17398	3.8
231.63724	2.6
290.08054	3.2
294.54340	3.1
304.22943	2.8
305.24725	84.7
306.01416	3.0
307.08194	4.3
308.09131	4.9
310.07080	5.5
322.27420	100.0
323.25778	73.9
324.11826	4.7
325.09189	11.7
325.12283	14.2
340.07797	5.6
340.11249	47.8
340.14807	18.9
340.28473	21.0
359.04150	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52602	0.7
55.05526	15.5
56.05848	3.8
57.03448	11.6
57.07086	11.5
57.29282	0.8
58.03735	0.9
58.07409	1.9
59.23656	0.8
63.34366	1.0
64.97826	0.8
67.05235	0.8
67.05514	14.7
68.05833	1.8
69.07072	24.8
70.07418	8.0
71.04966	1.0
71.08627	5.9
74.88859	0.8
75.06298	0.9
79.05482	4.9
80.05817	1.1
81.07064	19.0
81.16010	0.9
82.07371	4.4
83.08614	18.7
84.08962	8.0
85.10159	1.0
91.05499	1.0
93.07033	9.5
94.07390	1.4
95.08600	16.7
96.08926	5.6
97.06559	2.1
97.10172	9.7
98.10499	4.0
107.08587	4.8
109.10165	7.4
110.10490	2.0
111.11749	1.6
121.10130	10.2
122.10458	4.1
123.11683	1.4
124.12050	0.9
135.11719	4.0
136.12051	1.9
139.11183	1.9
139.23973	1.1
149.09637	1.1
149.13269	2.0
184.13301	9.0
214.72899	1.1
248.24477	1.5
266.25638	4.5
278.48419	0.9
281.26657	1.6
294.71310	1.1
298.29431	1.4
305.24756	5.0
322.27365	5.0
323.25790	1.1
340.11542	7.2
340.29276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86606	0.9
55.05515	6.5
56.05845	1.3
57.07076	13.4
57.80713	0.9
58.98445	0.9
59.40464	0.9
60.04529	6.1
67.05518	8.1
69.07073	15.1
70.07384	1.9
71.08637	11.3
73.24413	1.1
79.05495	1.4
81.07063	19.9
82.07409	1.3
83.08631	7.8
84.08965	2.1
87.94657	1.0
91.05480	2.7
93.07027	5.3
95.08613	16.4
96.08957	4.5
97.06570	4.0
97.10191	6.9
105.07059	2.3
107.08611	2.2
109.10166	7.4
110.10488	1.4
112.08402	1.1
114.12823	2.4
119.08633	2.1
121.10159	2.7
122.03883	1.3
123.11711	2.4
124.12093	1.7
127.11274	1.5
132.70256	1.1
133.10132	2.5
135.11722	2.5
141.12741	1.5
147.11751	2.5
148.11967	1.6
150.77017	1.0
153.12688	1.2
156.23036	1.0
165.12799	1.4
168.13817	1.4
170.34833	1.2
182.15431	2.8
183.13815	2.5
200.16533	4.4
201.14995	1.3
246.23076	1.9
264.24002	2.3
280.28568	3.3
281.26660	25.2
290.08167	2.1
297.29025	2.1
298.29373	29.6
305.24838	6.5
306.88165	1.2
311.00241	1.2
322.27524	6.9
325.09549	4.6
340.11551	10.5
340.30392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86606	0.9
55.05515	6.5
56.05845	1.3
57.07076	13.4
57.80713	0.9
58.98445	0.9
59.40464	0.9
60.04529	6.1
67.05518	8.1
69.07073	15.1
70.07384	1.9
71.08637	11.3
73.24413	1.1
79.05495	1.4
81.07063	19.9
82.07409	1.3
83.08631	7.8
84.08965	2.1
87.94657	1.0
91.05480	2.7
93.07027	5.3
95.08613	16.4
96.08957	4.5
97.06570	4.0
97.10191	6.9
105.07059	2.3
107.08611	2.2
109.10166	7.4
110.10488	1.4
112.08402	1.1
114.12823	2.4
119.08633	2.1
121.10159	2.7
122.03883	1.3
123.11711	2.4
124.12093	1.7
127.11274	1.5
132.70256	1.1
133.10132	2.5
135.11722	2.5
141.12741	1.5
147.11751	2.5
148.11967	1.6
150.77017	1.0
153.12688	1.2
156.23036	1.0
165.12799	1.4
168.13817	1.4
170.34833	1.2
182.15431	2.8
183.13815	2.5
200.16533	4.4
201.14995	1.3
246.23076	1.9
264.24002	2.3
280.28568	3.3
281.26660	25.2
290.08167	2.1
297.29025	2.1
298.29373	29.6
305.24838	6.5
306.88165	1.2
311.00241	1.2
322.27524	6.9
325.09549	4.6
340.11551	10.5
340.30392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86606	0.9
55.05515	6.5
56.05845	1.3
57.07076	13.4
57.80713	0.9
58.98445	0.9
59.40464	0.9
60.04529	6.1
67.05518	8.1
69.07073	15.1
70.07384	1.9
71.08637	11.3
73.24413	1.1
79.05495	1.4
81.07063	19.9
82.07409	1.3
83.08631	7.8
84.08965	2.1
87.94657	1.0
91.05480	2.7
93.07027	5.3
95.08613	16.4
96.08957	4.5
97.06570	4.0
97.10191	6.9
105.07059	2.3
107.08611	2.2
109.10166	7.4
110.10488	1.4
112.08402	1.1
114.12823	2.4
119.08633	2.1
121.10159	2.7
122.03883	1.3
123.11711	2.4
124.12093	1.7
127.11274	1.5
132.70256	1.1
133.10132	2.5
135.11722	2.5
141.12741	1.5
147.11751	2.5
148.11967	1.6
150.77017	1.0
153.12688	1.2
156.23036	1.0
165.12799	1.4
168.13817	1.4
170.34833	1.2
182.15431	2.8
183.13815	2.5
200.16533	4.4
201.14995	1.3
246.23076	1.9
264.24002	2.3
280.28568	3.3
281.26660	25.2
290.08167	2.1
297.29025	2.1
298.29373	29.6
305.24838	6.5
306.88165	1.2
311.00241	1.2
322.27524	6.9
325.09549	4.6
340.11551	10.5
340.30392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70596	6.1
58.59521	6.7
60.31964	6.9
63.52385	6.8
70.06615	6.8
70.77333	7.0
71.32574	8.2
110.07171	13.1
116.07099	11.2
131.79045	8.0
137.05995	14.3
178.04990	46.3
178.82053	8.5
179.05287	47.1
179.08832	9.8
193.18802	8.8
198.30347	8.1
210.11174	10.6
238.10660	13.3
250.23732	7.5
323.16208	10.6
341.06448	100.0
341.16824	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14078	0.5
61.48047	0.4
80.96241	0.5
106.90601	0.5
137.05948	2.3
138.93271	0.5
154.09494	0.5
167.78688	0.6
224.07047	20.4
225.07851	1.1
257.06851	1.1
269.09192	2.1
296.05536	100.0
296.51611	0.5
297.08710	0.8
324.04999	15.4
341.07706	41.9
341.12067	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25515	0.4
96.45200	0.4
112.15165	0.4
137.06053	0.5
179.03360	6.8
224.07042	17.7
242.07874	0.5
245.97531	0.4
254.07985	0.8
295.07440	0.4
296.05521	100.0
297.08575	0.6
298.06662	0.9
324.04996	15.8
340.26688	0.5
341.07687	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Cornigerone
Peak:m/z	Relative Intensity
54.35637	1.3
55.01883	25.1
58.28776	1.3
79.05453	1.5
91.05533	1.9
92.02852	1.6
93.07036	1.6
101.00420	1.7
105.07047	2.8
107.08596	2.0
109.10152	2.2
111.04454	7.8
114.46787	1.6
115.05424	1.7
117.07014	1.7
124.79623	1.6
129.06982	2.4
131.04906	2.8
133.06490	14.2
137.05951	14.0
145.04860	2.1
145.06464	3.2
145.64337	1.8
147.04434	2.7
161.05966	17.1
165.05525	1.8
173.05998	8.3
174.05498	26.6
174.06775	5.4
175.05835	27.4
175.07516	7.2
179.08525	2.0
187.07549	6.3
189.05458	18.5
200.68927	1.6
201.05469	8.7
202.06296	2.6
203.08557	1.7
210.06711	2.3
211.07556	3.3
220.05128	1.8
221.05989	5.9
221.09532	2.1
222.06750	2.2
223.07567	1.8
224.08179	2.2
225.09055	7.3
226.06223	2.3
227.06976	6.7
231.07921	1.7
234.06744	2.5
235.07402	10.6
236.08296	2.0
237.05380	2.0
238.06155	6.6
239.07069	3.1
243.06488	3.7
249.05379	2.9
249.09161	3.1
250.06306	2.3
251.06880	2.2
252.07828	11.5
253.08557	30.9
255.06528	14.7
256.07373	5.7
263.07025	19.5
264.07782	2.1
265.04865	5.6
265.08630	10.7
266.05695	3.8
267.06482	10.4
267.09924	2.2
269.07947	2.6
270.08932	2.6
279.06433	8.5
280.07239	14.3
281.08029	18.5
281.11078	1.9
282.08917	3.2
283.05988	9.9
291.06546	2.3
291.10132	2.1
295.06210	3.3
295.09540	9.2
298.08301	7.4
309.07495	10.0
309.10803	6.8
310.08209	2.7
313.10648	8.7
313.14136	2.1
323.09061	16.0
326.09882	9.0
341.09671	100.0
341.24753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1129
Annotation	Cephalinone B
Peak:m/z	Relative Intensity
54.90700	0.4
58.06598	1.9
63.43509	0.4
70.06605	0.5
82.53517	0.5
82.85262	0.5
85.02936	0.5
107.48577	0.4
110.89402	0.4
115.97754	0.5
124.26649	0.5
137.05983	0.9
174.75471	0.5
191.38930	0.5
204.11131	0.5
208.09760	0.6
239.09496	1.1
252.10188	3.5
262.06219	0.5
280.09711	17.2
280.12589	0.9
295.10776	2.5
296.09158	11.6
297.12277	8.3
313.11697	2.7
323.09549	1.1
324.08630	42.2
326.12088	0.6
341.11368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.1
58.28347	1.1
58.45873	1.1
84.04508	25.0
86.02424	15.9
87.05584	7.1
92.44047	1.3
99.04472	1.3
99.05560	13.2
100.03963	12.7
101.07142	3.3
102.05542	7.3
117.06642	14.4
128.03441	26.9
133.06085	1.8
145.06088	100.0
148.06129	5.0
167.23683	1.5
181.04898	2.4
209.52856	1.4
211.06000	1.8
246.03313	1.2
295.13104	1.7
316.79126	1.5
341.07977	1.6
341.13474	23.7
341.17267	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.52027	3.9
85.68996	3.8
93.13803	4.2
111.04359	4.5
114.51768	4.1
137.06001	100.0
142.46413	4.6
161.05968	5.2
175.07567	10.4
187.07596	41.5
189.09087	10.9
203.08611	5.5
211.07420	9.1
217.08623	22.7
219.08104	7.4
231.08035	22.0
239.07066	11.0
240.07901	19.6
247.07578	5.1
248.08316	7.1
249.08986	8.5
255.06435	7.3
259.07474	6.9
263.10623	21.9
265.08530	8.5
268.49738	4.9
270.08838	29.7
271.09677	38.0
276.07773	19.3
283.09528	9.8
291.10077	45.5
293.07928	6.6
298.10345	5.4
303.34897	4.7
308.10150	5.7
309.11050	26.1
311.12729	8.8
323.12799	50.5
333.05283	5.8
341.14090	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38428	0.9
68.64368	0.9
69.46513	1.0
89.33622	1.1
91.05498	1.6
93.64957	1.0
105.07037	5.1
108.08303	1.0
109.06522	1.4
117.07093	1.1
119.08562	1.9
122.03658	2.6
128.73773	1.2
129.07008	4.5
133.06519	5.5
137.05984	100.0
147.08076	2.2
155.04993	1.1
159.08054	2.0
161.05975	12.4
166.22874	1.1
167.07056	5.4
169.66296	1.1
175.07545	27.9
185.49960	1.1
187.07553	13.6
189.09088	1.6
191.08513	8.0
199.07504	8.9
203.08566	5.5
219.08037	13.6
221.09671	1.9
231.08037	6.4
232.08818	1.3
236.08287	1.7
247.07530	5.8
248.08269	2.2
249.08968	2.0
251.10677	19.9
253.93303	1.1
259.07581	4.7
263.10638	2.5
264.07877	1.3
264.59277	1.0
265.08661	1.3
277.08630	2.1
279.10147	8.9
281.11707	2.1
283.49127	1.1
291.10223	8.5
292.10944	4.9
309.11224	2.7
311.12805	20.7
323.12781	7.1
341.13834	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
55.38428	0.9
68.64368	0.9
69.46513	1.0
89.33622	1.1
91.05498	1.6
93.64957	1.0
105.07037	5.1
108.08303	1.0
109.06522	1.4
117.07093	1.1
119.08562	1.9
122.03658	2.6
128.73773	1.2
129.07008	4.5
133.06519	5.5
137.05984	100.0
147.08076	2.2
155.04993	1.1
159.08054	2.0
161.05975	12.4
166.22874	1.1
167.07056	5.4
169.66296	1.1
175.07545	27.9
185.49960	1.1
187.07553	13.6
189.09088	1.6
191.08513	8.0
199.07504	8.9
203.08566	5.5
219.08037	13.6
221.09671	1.9
231.08037	6.4
232.08818	1.3
236.08287	1.7
247.07530	5.8
248.08269	2.2
249.08968	2.0
251.10677	19.9
253.93303	1.1
259.07581	4.7
263.10638	2.5
264.07877	1.3
264.59277	1.0
265.08661	1.3
277.08630	2.1
279.10147	8.9
281.11707	2.1
283.49127	1.1
291.10223	8.5
292.10944	4.9
309.11224	2.7
311.12805	20.7
323.12781	7.1
341.13834	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.21214	0.6
50.92284	0.6
51.88136	0.7
56.56572	0.8
67.57494	0.7
69.65678	0.9
83.20066	0.8
91.05489	1.2
105.07030	4.4
107.04955	0.9
109.06519	4.2
115.05467	1.5
119.04918	0.9
119.08577	1.6
122.03628	3.7
124.88328	0.9
129.07056	1.9
132.05704	1.0
133.06505	5.4
137.05975	100.0
147.04428	4.4
147.08043	2.1
149.06006	1.8
150.06787	4.0
151.07521	1.8
155.04813	1.0
159.08043	3.7
160.05180	1.7
161.04761	1.3
161.05949	11.7
162.06744	7.5
172.05301	1.0
175.07518	32.4
187.03883	1.7
187.07487	13.7
189.09067	1.8
191.08542	5.4
199.07539	9.5
202.65811	0.9
203.08531	4.3
211.07436	1.9
217.08585	1.5
219.08018	12.3
220.08855	1.5
231.08200	7.8
232.08766	1.2
236.08223	1.5
247.07590	7.1
248.08305	5.0
251.10667	12.0
255.06523	1.2
256.07224	1.0
259.07642	3.5
260.08243	1.9
263.10651	5.4
263.16949	0.9
265.08582	1.7
270.08792	2.1
271.09656	4.7
275.44348	1.0
276.07846	2.2
277.08554	3.4
279.10211	11.9
281.11508	1.2
283.09625	1.2
291.07098	1.5
291.10059	11.6
292.11041	1.6
293.07913	1.3
295.33344	1.0
296.10510	1.1
311.09360	1.9
311.12772	15.9
323.09497	1.2
323.12735	9.3
341.13867	16.2
344.84772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
53.93401	0.8
64.35987	0.9
65.63330	0.8
67.05489	1.1
67.54756	0.9
77.07069	0.9
78.78791	0.8
81.07040	1.6
86.55539	0.8
89.23705	0.9
95.08618	1.6
109.10134	1.5
121.10125	1.1
125.09552	0.9
154.12297	2.2
164.56850	1.0
171.04495	1.1
171.14882	1.2
189.77408	0.9
277.08710	1.2
278.09464	1.3
279.23230	1.7
280.11008	3.6
283.09769	1.4
293.08142	7.6
296.25760	8.4
297.11194	2.0
307.09659	22.6
308.10303	3.9
311.09097	14.7
325.10690	75.8
326.11429	15.6
341.13843	100.0
357.53970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.68760	1.0
58.06602	7.8
61.11765	1.3
66.80679	1.4
69.03439	1.7
70.06607	1.4
81.03368	1.6
99.04414	1.9
109.06519	2.9
113.37196	1.5
117.06764	1.7
121.06477	3.4
129.06999	6.0
137.05971	100.0
143.96272	1.7
151.07529	5.9
157.06502	3.3
160.67529	1.9
161.05923	3.7
165.05440	1.6
174.06725	10.4
175.07500	7.1
179.07002	2.5
187.07526	40.0
189.09114	17.9
197.06297	1.8
199.07605	1.7
203.08571	5.8
207.07753	9.8
211.07533	1.8
217.08614	18.7
219.08026	9.3
231.07953	12.1
235.07484	1.7
247.07527	7.0
248.08400	11.4
251.10643	3.0
255.06561	2.5
259.07516	3.5
260.08301	2.8
261.09122	1.9
263.06921	1.6
263.10623	18.4
265.08588	6.4
270.08838	10.5
271.09650	9.8
276.07852	11.7
279.10144	12.2
280.10953	2.3
281.08087	1.8
283.09637	3.1
291.10095	35.0
293.08096	6.1
296.10587	10.7
308.10364	2.6
311.12830	14.4
323.12720	40.2
341.11203	33.6
341.14151	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.45353	0.9
58.06602	8.4
71.57758	1.1
84.02209	1.1
98.63228	1.3
107.04948	1.7
109.06515	2.7
115.71217	1.3
122.03688	1.3
129.06979	6.0
131.04922	2.0
133.13284	1.1
137.05983	100.0
143.08635	1.2
147.04422	1.2
149.06015	1.2
151.04042	1.3
151.07489	5.1
157.06479	6.9
158.02599	1.2
160.05159	1.3
161.05986	1.7
163.07513	1.4
174.06741	10.3
175.07552	6.3
179.03290	1.4
187.07542	41.1
189.09087	13.6
199.07585	3.0
203.08583	6.7
214.33940	1.2
217.08549	21.9
219.08002	6.7
220.08862	2.2
224.07063	2.7
225.95232	1.2
231.08049	14.5
232.08748	1.5
233.09512	1.2
236.08229	2.3
247.07472	7.6
248.08272	13.2
251.10594	8.7
254.08118	1.5
259.07486	7.3
260.08246	2.7
263.10666	23.0
264.07922	1.9
265.08557	4.5
266.09030	1.4
270.08859	1.9
271.09558	2.2
276.07764	11.4
276.37531	1.2
277.08591	2.0
279.10220	13.3
281.08142	2.2
283.09537	2.1
291.10135	41.4
292.10846	2.3
293.07996	5.3
296.05548	25.2
296.10519	10.7
298.10043	1.9
307.09064	1.4
308.10757	1.7
309.08536	2.0
311.12811	16.3
323.12808	40.4
324.05093	2.9
341.08139	11.3
341.13989	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68760	1.0
58.06602	7.8
61.11765	1.3
66.80679	1.4
69.03439	1.7
70.06607	1.4
81.03368	1.6
99.04414	1.9
109.06519	2.9
113.37196	1.5
117.06764	1.7
121.06477	3.4
129.06999	6.0
137.05971	100.0
143.96272	1.7
151.07529	5.9
157.06502	3.3
160.67529	1.9
161.05923	3.7
165.05440	1.6
174.06725	10.4
175.07500	7.1
179.07002	2.5
187.07526	40.0
189.09114	17.9
197.06297	1.8
199.07605	1.7
203.08571	5.8
207.07753	9.8
211.07533	1.8
217.08614	18.7
219.08026	9.3
231.07953	12.1
235.07484	1.7
247.07527	7.0
248.08400	11.4
251.10643	3.0
255.06561	2.5
259.07516	3.5
260.08301	2.8
261.09122	1.9
263.06921	1.6
263.10623	18.4
265.08588	6.4
270.08838	10.5
271.09650	9.8
276.07852	11.7
279.10144	12.2
280.10953	2.3
281.08087	1.8
283.09637	3.1
291.10095	35.0
293.08096	6.1
296.10587	10.7
308.10364	2.6
311.12830	14.4
323.12720	40.2
341.11203	33.6
341.14151	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1745
Annotation	Myricanene B
Peak:m/z	Relative Intensity
55.05506	7.1
57.03432	1.9
57.07069	9.8
59.45686	1.5
62.98260	2.9
64.78124	2.1
67.05512	31.0
69.07063	10.4
71.04984	4.4
71.08614	7.1
72.44319	1.9
79.05496	2.1
81.07057	22.4
83.08614	2.4
84.29298	1.8
93.07038	8.7
95.08589	11.1
100.04283	1.8
100.67204	2.1
105.07001	2.1
107.08609	7.6
109.10159	20.9
119.08578	7.7
121.10159	8.8
129.07074	2.6
141.12766	3.1
154.12233	10.1
157.06538	3.0
161.05943	3.6
165.82346	2.0
168.13805	3.2
173.05933	15.5
174.06763	2.5
175.07501	8.5
187.07570	7.6
198.06735	8.4
201.05455	42.6
202.06247	9.7
203.07014	92.5
212.08401	3.3
213.09146	2.3
215.07024	18.1
217.08406	1.9
224.08167	2.7
225.09125	2.2
226.06229	8.4
227.07047	7.4
239.07057	4.6
239.10669	3.3
240.07869	9.0
241.08583	28.8
243.10329	2.9
253.08606	9.9
255.10123	46.3
257.11786	2.2
265.08682	2.4
267.07626	2.1
267.10089	18.7
279.23068	2.1
296.25766	15.5
323.16403	22.2
323.23199	2.3
341.12155	16.0
341.17407	100.0
341.20810	15.9
341.24475	5.0
341.30582	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1743
Annotation	Taxamairin D
Peak:m/z	Relative Intensity
55.05505	9.9
57.07084	5.1
58.39541	2.0
65.03971	2.6
66.34546	1.7
67.05510	40.6
69.07062	12.9
79.05478	9.1
81.07052	26.3
83.04984	12.1
83.08629	4.0
85.06543	100.0
89.77422	1.9
91.05444	2.0
93.07027	5.1
95.08606	11.5
107.08578	3.8
109.10157	21.4
119.08566	4.6
121.09287	2.0
121.10138	11.9
135.11719	2.3
136.06123	2.3
154.12271	3.9
157.06555	2.3
161.05930	3.2
173.05977	16.3
180.09750	2.0
187.07538	2.8
189.05426	10.1
192.44585	2.7
194.94331	1.9
195.07964	2.2
198.06682	3.0
199.07671	2.3
201.05441	61.9
202.06300	9.9
203.07025	24.6
211.11227	2.6
213.05602	2.2
213.09145	3.2
215.07013	17.9
226.06145	3.0
227.06972	22.9
236.23648	3.6
239.10655	11.2
240.07689	3.1
241.08569	41.6
242.09178	2.4
243.10231	2.6
253.08420	2.1
254.09389	2.6
255.10112	2.4
257.11700	51.2
259.09647	22.3
265.08459	2.8
267.10098	48.8
296.25961	4.0
299.16464	2.3
323.16415	49.3
330.72241	2.7
341.12097	13.2
341.17419	62.5
341.28229	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05508	12.8
55.92186	2.1
57.07069	4.2
59.82468	2.3
60.12012	2.1
61.04040	14.3
67.05502	32.4
69.03440	2.9
69.07063	6.2
71.04991	26.3
79.05479	13.6
81.03419	33.5
81.07055	51.6
83.04986	27.3
83.08595	11.1
91.05463	10.5
93.07039	27.7
95.04978	17.4
95.08614	35.7
95.90363	2.3
96.77823	2.6
97.06541	3.7
99.04443	9.8
101.06012	11.7
105.07036	16.0
107.04951	100.0
107.08588	17.2
109.06522	10.1
109.10162	18.1
117.07013	10.0
119.07077	2.9
119.08570	10.4
121.06474	11.7
121.10149	9.0
123.08057	14.1
125.09631	2.8
131.08586	10.4
133.10121	13.1
135.08035	3.2
135.11670	15.9
135.73093	2.4
143.08510	4.5
145.06450	5.9
145.10139	16.3
147.11723	3.5
149.05957	60.8
149.13271	4.8
157.10133	6.0
159.08041	10.3
159.11681	13.8
161.08011	2.8
161.09525	2.4
161.13344	9.2
163.11166	59.4
169.10066	10.3
171.11719	3.9
177.12794	11.5
179.14313	2.6
185.07332	2.7
187.11169	11.3
195.13884	8.3
197.13179	3.1
205.12202	3.8
223.13170	20.5
231.21060	3.3
241.14305	49.4
259.17569	2.5
267.12207	73.1
285.13370	29.5
323.18567	14.4
323.23517	5.2
341.20959	40.6
341.24768	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92759	2.1
52.04729	2.4
53.03952	15.6
55.01875	4.1
55.05517	6.5
57.07076	3.0
67.05505	41.0
69.03426	2.6
69.07050	4.6
71.04990	5.9
74.72906	2.2
79.05489	23.7
81.03426	77.7
81.07057	77.9
83.04983	24.8
83.08620	10.5
85.79733	2.6
91.05478	15.8
93.07040	32.7
95.04954	26.2
95.08612	40.7
97.06528	4.9
99.04456	3.6
99.08237	3.1
101.06020	3.9
105.07030	17.8
107.04944	37.6
107.08614	19.5
109.06535	20.8
109.10159	13.5
111.08051	3.7
117.07021	13.2
119.05015	2.8
119.08559	5.2
121.06496	17.0
121.10120	11.1
123.04411	4.0
123.08080	37.2
125.09687	3.0
131.08582	15.6
133.06465	3.4
133.10106	6.4
135.11693	29.3
141.06969	5.5
143.08594	5.1
145.06480	18.9
145.10124	14.1
147.11702	5.6
147.34906	3.0
149.05991	5.2
149.13240	4.8
151.11244	3.2
154.12274	27.1
157.10117	5.7
159.08054	4.4
159.11694	24.3
161.60435	2.9
163.11169	12.4
169.10100	14.9
171.11641	4.6
171.14944	6.7
173.09554	3.9
173.13376	3.2
177.12747	9.9
183.11755	3.0
187.11096	19.5
188.12360	3.6
195.13777	15.5
199.14789	3.1
205.12166	5.1
223.13252	43.2
241.14322	100.0
267.12238	14.3
323.18372	4.6
323.23605	4.1
341.11957	5.5
341.21176	27.0
341.24362	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2084
Annotation	bohemine
Peak:m/z	Relative Intensity
52.59584	2.2
55.05515	3.4
57.07072	3.0
61.56968	2.5
67.05502	19.8
69.07084	11.1
71.08630	3.9
79.05508	4.6
81.07056	24.3
83.08609	3.7
85.10157	2.5
91.05511	2.5
93.07040	17.2
95.08597	25.4
97.06511	4.0
107.08585	11.2
109.10163	13.4
119.08565	5.0
121.10173	12.6
135.11705	6.2
145.10039	3.5
149.13300	3.6
153.10072	3.0
153.12680	3.4
170.82407	2.7
197.11627	2.8
233.22632	3.7
258.64520	2.8
279.23120	17.4
291.30804	2.5
293.83380	2.6
296.25833	40.0
323.19864	51.2
341.20648	100.0
341.28107	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09335	2.3
55.05511	2.7
67.05508	11.1
69.07084	3.9
71.05012	3.6
79.05504	6.8
81.07051	16.7
86.09767	4.3
90.11404	2.8
91.05466	3.2
93.07053	11.1
95.04967	5.3
95.08594	6.6
97.06529	4.0
97.10151	3.6
105.07014	21.6
107.04937	4.9
107.08607	13.9
109.06506	5.8
119.08570	13.8
120.02563	2.7
121.06470	12.7
129.07007	11.6
131.08563	6.8
133.10146	26.4
135.08084	12.3
137.09698	3.4
143.08563	5.6
145.10129	4.6
147.08066	40.7
157.10138	17.2
157.89178	3.0
159.08055	7.5
161.09630	25.0
171.11653	4.1
173.09476	4.8
175.11171	39.0
176.60342	2.9
181.10042	3.8
187.11186	5.3
193.05006	11.5
201.73326	3.1
212.60484	3.6
219.11787	3.5
225.12764	4.6
246.80069	3.3
247.14690	4.5
249.16382	13.7
267.17413	16.4
269.33817	3.2
291.14343	3.1
291.17477	12.2
291.59412	3.9
298.59647	3.3
299.10425	3.4
299.20053	15.7
299.60553	4.0
300.09241	3.4
306.07788	4.4
309.18390	44.6
320.11115	4.4
320.61395	5.0
321.10287	3.6
323.19589	4.5
328.12680	6.9
328.62668	14.5
331.45074	3.7
334.07056	6.2
335.07452	5.4
336.62827	3.3
341.11774	22.0
341.21027	100.0
343.44299	3.1
349.09598	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2318
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05510	15.6
57.07074	13.5
67.05508	62.3
69.07070	27.0
71.08633	9.4
79.05495	22.0
81.07059	70.6
83.08606	13.1
85.10191	10.2
91.05479	3.5
93.07034	47.1
95.04986	1.9
95.08604	56.2
95.09187	2.3
97.06542	1.8
97.10166	11.0
99.08103	3.1
105.07066	6.0
107.08602	28.7
109.06556	1.7
109.10157	24.8
113.09662	7.2
119.08614	3.3
121.10125	28.7
123.11696	19.1
131.08572	3.1
133.10072	4.8
135.11687	17.8
137.13283	7.3
145.10130	2.4
147.11720	5.6
149.13246	20.0
151.14822	2.9
159.11725	2.3
162.49976	1.6
163.14877	9.3
177.16396	1.9
233.22586	12.4
277.21777	1.8
279.23114	19.9
296.26010	1.7
323.19711	3.5
341.23380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69756	1.0
54.39368	1.1
55.01871	2.0
55.05514	8.9
57.03441	1.7
57.07077	9.9
67.05505	11.3
69.03439	3.1
69.07076	9.8
71.05013	1.6
71.08633	14.5
79.05492	12.5
81.07064	19.9
83.04980	1.6
83.08614	2.2
85.06543	2.2
91.05485	5.6
93.07043	21.9
94.19343	1.3
94.38628	1.8
95.04948	7.7
95.08598	15.0
96.05733	1.6
97.02892	14.0
97.06519	5.7
99.08093	6.8
105.07040	8.0
107.04987	1.7
107.08581	8.7
109.06523	6.6
109.10168	5.5
111.04470	16.0
113.05991	5.4
119.08567	6.4
121.06506	13.3
121.10140	19.1
123.04421	2.3
123.08073	8.1
123.11663	2.4
125.09576	1.5
131.08571	15.4
133.10062	2.9
135.08092	1.5
137.09587	2.6
139.11253	2.8
147.08025	1.7
147.11714	1.4
149.09642	12.7
155.97346	1.3
161.13210	1.6
165.12714	10.7
167.10677	5.0
168.11432	1.4
171.11664	1.5
175.14824	1.5
179.14339	2.5
181.12225	100.0
186.00031	1.6
196.70793	1.3
207.13768	1.8
211.30963	1.4
297.17902	1.6
305.21097	15.6
306.25024	8.6
307.22678	5.8
323.22275	5.6
323.27722	11.4
324.22794	2.4
324.26215	7.5
334.10330	1.6
341.20508	2.5
341.23471	7.5
344.84686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.1
55.65149	1.9
57.07074	10.4
67.05511	13.4
69.07079	4.0
71.08631	14.5
79.05494	12.0
81.07054	22.7
83.08614	2.6
91.05480	9.3
93.07043	23.5
95.04957	8.9
95.08624	16.3
96.05769	2.6
97.02897	14.1
97.06536	3.8
99.08086	3.9
105.07034	13.1
107.08578	4.9
109.06534	3.9
109.10172	2.7
111.04453	12.9
111.08022	1.9
113.06002	3.4
115.68269	2.0
119.08575	7.7
121.06517	12.4
121.10154	16.0
123.04427	3.8
123.08032	3.4
131.08563	14.6
135.11710	3.8
149.09631	15.1
154.12257	7.6
157.10080	2.4
165.12750	4.9
167.10603	3.1
179.14249	3.3
181.12224	100.0
189.12878	2.5
207.13890	2.7
277.21652	3.4
305.20938	15.0
306.21951	2.3
306.25180	7.6
307.22592	2.9
323.22336	4.8
323.27686	9.5
324.26157	4.2
341.23575	14.0
341.27579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84628	2.1
55.01907	1.7
55.05514	4.5
60.39167	1.8
67.05511	29.3
69.07077	20.1
79.05488	3.8
81.07066	49.9
83.08623	18.9
91.05484	4.3
93.07029	15.9
95.08607	52.0
97.06522	4.0
97.10165	11.6
105.07033	5.3
107.08604	12.2
109.10157	25.0
110.09644	7.2
111.08086	10.2
111.11749	2.8
117.07041	4.0
119.08572	4.1
121.10165	14.3
123.08047	2.3
123.11714	13.0
125.09666	2.0
131.08589	2.8
133.10100	8.6
135.07959	2.2
135.11693	10.7
137.05939	10.5
137.09612	2.7
137.13193	2.9
138.09113	3.2
139.07538	10.0
145.10123	3.5
147.11703	11.5
149.13246	28.2
154.12292	41.4
156.10172	8.7
159.11629	7.5
161.06041	3.2
161.13237	11.0
166.15942	4.7
167.14308	2.4
171.14948	13.0
173.13315	3.5
175.14720	2.6
195.13753	2.8
212.16481	11.8
260.23715	14.0
261.22162	12.4
263.23672	5.0
280.26349	3.0
288.23035	3.4
289.21591	23.4
306.24249	11.5
307.22589	9.0
309.10980	3.0
324.21881	4.3
324.25345	93.0
341.12070	11.5
341.24457	5.9
341.27957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72721	1.6
52.12721	1.5
55.01875	2.2
55.05515	7.2
67.05508	28.7
69.07062	13.6
70.75025	1.8
71.97131	1.6
75.35915	1.5
79.05489	9.1
80.35603	1.7
81.07057	43.8
83.08617	24.7
88.95494	1.8
91.05463	3.8
93.07033	19.7
95.08617	39.6
97.06535	3.1
97.10149	9.7
105.07039	3.7
107.08591	14.3
109.06486	1.7
109.10161	28.2
110.07555	1.5
110.09692	4.1
111.08073	6.9
117.07024	2.7
119.08543	8.8
121.10134	14.5
123.08047	1.8
123.11671	6.5
125.09624	6.9
128.10701	2.3
128.89799	1.6
131.08571	3.1
133.10104	8.6
135.08066	2.1
135.11665	12.2
137.13176	2.1
138.09137	3.8
139.07535	13.6
145.10123	3.2
147.11670	9.6
149.13260	24.2
151.11183	2.4
154.12256	42.5
156.10167	8.3
159.11670	3.3
161.13263	6.9
163.14778	7.4
166.15887	4.3
167.14279	7.3
171.14952	16.3
175.14801	2.2
178.15874	2.6
187.14868	2.1
212.16515	10.0
260.23764	12.2
261.22177	13.7
263.23672	3.3
277.87820	1.9
278.24771	4.0
279.22818	2.1
280.26300	8.6
288.23105	3.1
289.21564	18.7
306.24246	10.8
307.22726	3.5
323.23318	2.2
324.21527	3.5
324.25330	86.6
341.24350	9.0
341.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37141	0.6
51.93459	0.7
52.77492	0.6
55.01870	0.9
55.05516	1.6
57.03435	1.4
57.07081	7.9
66.58043	0.7
67.05490	6.1
68.62589	0.7
69.07083	1.9
71.04968	0.7
71.08630	11.1
72.70168	0.9
76.58069	0.7
79.05500	3.2
81.07052	12.2
83.04972	1.2
83.08602	1.6
91.05467	4.3
93.07026	4.6
95.04980	1.3
95.08600	9.3
97.10170	3.6
105.07043	2.0
107.08601	4.3
109.06523	1.8
109.10152	3.8
117.07008	1.0
119.08599	4.6
121.10129	5.2
122.09659	1.8
123.08089	1.9
123.11692	4.0
128.00494	0.9
131.08609	0.9
133.10143	4.5
135.11618	1.4
137.09573	1.4
139.11157	1.2
140.10703	5.5
141.12744	12.3
145.10072	1.3
147.11612	1.4
149.09700	0.9
157.10185	1.2
158.11734	7.5
169.15846	4.3
171.11728	1.8
173.06787	0.8
175.26802	0.8
183.13795	9.0
185.12871	12.0
251.23685	4.3
279.23230	1.1
296.85587	0.9
323.22375	1.2
341.21100	3.6
341.27991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
50.02515	1.5
52.22977	1.4
52.63398	1.8
53.59199	1.4
54.62760	1.4
55.05513	3.2
56.39064	1.6
56.75307	1.5
57.03445	12.8
57.07082	56.2
59.18724	1.4
65.34688	1.5
67.05505	3.5
69.07066	8.1
71.08636	30.0
71.23589	1.6
81.07063	11.2
83.08624	2.4
85.10184	16.4
89.06018	2.3
95.08595	16.7
97.10178	7.3
109.10149	3.8
142.30394	2.0
295.45428	2.1
341.12003	7.1
341.30505	100.0
341.34546	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.9
56.51031	3.4
57.07072	15.1
59.98897	3.4
67.05497	24.4
68.93529	3.3
69.07059	16.2
70.78291	3.7
71.08642	5.0
72.94444	3.3
79.05491	5.5
81.07047	21.7
83.08638	9.8
84.21006	3.5
87.46360	3.3
93.07034	20.3
95.08592	31.2
95.36288	3.9
97.06543	6.6
97.10187	7.0
99.50529	4.1
107.08585	14.7
109.10178	13.8
121.10135	9.6
121.52066	4.1
124.27432	3.8
135.11687	16.0
149.13281	5.2
153.11636	3.7
153.12759	21.6
154.12276	32.0
171.14934	7.5
262.51974	4.3
279.23080	27.4
296.25803	100.0
341.11957	8.1
341.20633	44.6
341.30392	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
56.05034	1.0
57.07087	6.7
58.06601	1.5
60.04539	0.9
62.26749	0.7
67.05502	8.9
69.07072	14.0
70.06590	4.1
70.69954	0.7
71.04995	0.9
71.08639	6.4
77.44761	0.8
79.05499	1.1
80.54726	0.8
81.07063	19.1
83.08623	12.8
84.08136	1.5
85.06549	5.0
85.10181	3.7
86.09686	1.7
87.02547	0.7
91.05470	1.0
93.07037	3.7
95.08604	25.2
97.06523	3.3
97.10159	8.7
98.09689	1.8
98.87914	0.9
99.08112	1.4
100.07613	1.8
100.11267	3.9
107.08594	6.2
109.10159	11.4
111.08082	4.3
111.11720	4.1
112.11276	1.5
114.12805	2.0
119.08611	1.9
121.10144	3.6
123.11716	5.4
126.12782	3.4
128.14352	9.9
133.10133	3.7
135.11688	3.5
137.09676	1.1
137.13219	1.3
140.14404	1.2
142.15956	1.9
147.11693	3.8
149.13235	2.1
161.13268	3.4
163.14774	1.5
179.14247	1.0
182.15411	1.2
183.46498	1.0
193.15791	1.0
196.16936	1.7
210.18555	7.6
212.16476	0.8
214.18005	6.7
224.20055	26.6
227.21211	5.0
228.19601	1.4
238.21613	6.5
239.23592	1.3
241.22728	19.4
255.24242	6.6
263.23730	1.3
266.24661	1.9
274.72910	1.0
280.26352	23.7
282.27405	1.2
283.27457	3.4
297.29007	12.1
298.27228	1.4
306.27969	7.4
323.30557	40.5
324.28751	1.5
341.31598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03185	1.9
54.46733	1.9
55.01891	2.4
55.05520	8.1
56.05033	4.5
57.07084	25.1
67.05509	12.0
69.07075	12.7
71.08636	19.9
79.05518	4.1
81.07055	16.6
83.08626	17.4
85.10188	8.4
90.42637	1.9
93.07050	12.1
95.08620	17.1
97.10180	9.7
107.08602	9.9
109.10151	17.7
110.09697	18.9
111.08076	14.8
121.10154	13.7
123.11740	2.1
125.09617	4.5
128.10738	2.9
135.05388	2.1
135.11731	9.2
137.09674	3.4
137.13347	1.9
138.09148	20.5
139.07545	12.0
141.02306	1.9
149.13264	4.9
154.12267	100.0
156.10204	41.6
167.14297	3.5
168.13774	3.6
171.14934	33.5
182.15401	3.6
185.16512	2.4
186.22165	34.3
233.22598	8.6
279.23199	10.4
296.25909	57.1
296.29401	10.9
305.22305	2.3
306.24969	4.0
323.23206	12.6
324.29022	33.8
341.24493	28.8
341.31699	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70715	2.4
59.35177	2.4
63.84094	2.3
82.03750	3.0
85.07189	5.1
85.07675	100.0
97.50685	2.9
99.15688	2.9
102.09189	22.6
103.09524	6.2
150.15279	2.8
154.12254	13.4
286.98480	3.1
341.12067	5.2
341.31863	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15884	0.3
58.06607	68.7
65.72163	0.3
110.75580	0.3
114.06880	0.4
122.22415	0.3
152.17560	0.3
165.06966	0.5
179.08437	0.5
181.10132	0.3
191.08621	2.5
194.07350	0.3
205.06578	0.7
207.08072	2.1
208.08859	0.4
209.09682	3.2
217.61401	0.3
219.08034	4.8
222.06740	3.0
223.07602	0.4
233.05968	1.9
235.07446	2.8
236.08385	0.6
237.09079	12.8
247.07516	1.4
250.06212	1.4
255.10170	1.4
265.08572	46.4
266.09430	1.3
267.06583	0.6
267.10339	1.1
269.11792	0.4
279.10135	2.3
282.08853	16.8
284.10419	2.6
292.56268	0.4
297.11203	40.7
299.12817	5.0
311.12717	0.8
327.14679	0.5
342.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15884	0.3
58.06607	68.7
65.72163	0.3
110.75580	0.3
114.06880	0.4
122.22415	0.3
152.17560	0.3
165.06966	0.5
179.08437	0.5
181.10132	0.3
191.08621	2.5
194.07350	0.3
205.06578	0.7
207.08072	2.1
208.08859	0.4
209.09682	3.2
217.61401	0.3
219.08034	4.8
222.06740	3.0
223.07602	0.4
233.05968	1.9
235.07446	2.8
236.08385	0.6
237.09079	12.8
247.07516	1.4
250.06212	1.4
255.10170	1.4
265.08572	46.4
266.09430	1.3
267.06583	0.6
267.10339	1.1
269.11792	0.4
279.10135	2.3
282.08853	16.8
284.10419	2.6
292.56268	0.4
297.11203	40.7
299.12817	5.0
311.12717	0.8
327.14679	0.5
342.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48635	1.0
56.49366	1.0
83.00735	1.2
135.42412	1.3
136.42075	1.3
162.07625	1.4
169.25174	1.3
174.07545	2.0
179.98222	100.0
221.99280	7.4
246.07321	1.1
288.10828	2.2
306.11819	8.9
312.08047	1.4
316.99203	1.4
324.12802	2.9
342.03494	17.4
342.13934	9.4
353.06161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69324	0.7
58.06606	9.3
58.30550	0.7
67.05529	0.9
81.07047	2.9
95.08585	1.0
116.12458	0.9
119.43153	0.8
121.10111	0.9
129.92401	0.8
163.70023	0.8
207.07988	1.0
209.09598	1.1
219.07889	0.9
222.06795	1.2
237.09102	7.6
238.04320	0.8
240.93539	0.9
243.65105	0.8
247.07370	1.0
265.08572	17.5
282.08847	6.8
297.11218	16.5
310.10587	1.5
314.04099	1.5
324.28946	3.0
342.03720	100.0
342.13031	5.1
342.17035	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	69.5
65.26231	0.6
70.11298	0.7
70.50256	0.6
78.96993	0.8
92.20940	1.5
95.30102	0.8
112.32717	0.7
163.54207	0.7
172.67464	0.8
191.08502	1.2
209.09573	1.1
219.08087	5.0
222.06819	3.2
233.05949	1.9
235.07474	1.8
237.09106	12.6
247.07553	1.6
265.08572	45.7
266.09280	0.8
279.10294	1.3
282.08789	15.4
284.10342	1.7
297.11203	39.7
299.12695	4.1
342.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39016	0.3
52.90157	0.3
57.57074	0.3
58.06605	0.3
66.48123	0.3
67.58754	0.3
70.62607	0.3
72.82719	0.3
73.05679	0.3
74.08760	0.3
85.53788	0.3
116.59332	0.3
156.94342	0.4
216.67900	0.3
224.06917	0.9
225.07829	9.8
228.06570	0.7
235.34192	0.3
238.08638	1.2
239.09375	3.7
240.06685	0.6
254.08090	2.9
255.08879	0.5
257.06799	7.4
268.09683	9.3
270.11249	0.7
281.06821	3.0
282.07449	0.5
283.08359	3.7
298.10727	39.6
309.06168	2.5
310.07080	3.8
312.08591	0.7
327.07230	1.7
342.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39016	0.3
52.90157	0.3
57.57074	0.3
58.06605	0.3
66.48123	0.3
67.58754	0.3
70.62607	0.3
72.82719	0.3
73.05679	0.3
74.08760	0.3
85.53788	0.3
116.59332	0.3
156.94342	0.4
216.67900	0.3
224.06917	0.9
225.07829	9.8
228.06570	0.7
235.34192	0.3
238.08638	1.2
239.09375	3.7
240.06685	0.6
254.08090	2.9
255.08879	0.5
257.06799	7.4
268.09683	9.3
270.11249	0.7
281.06821	3.0
282.07449	0.5
283.08359	3.7
298.10727	39.6
309.06168	2.5
310.07080	3.8
312.08591	0.7
327.07230	1.7
342.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39016	0.3
52.90157	0.3
57.57074	0.3
58.06605	0.3
66.48123	0.3
67.58754	0.3
70.62607	0.3
72.82719	0.3
73.05679	0.3
74.08760	0.3
85.53788	0.3
116.59332	0.3
156.94342	0.4
216.67900	0.3
224.06917	0.9
225.07829	9.8
228.06570	0.7
235.34192	0.3
238.08638	1.2
239.09375	3.7
240.06685	0.6
254.08090	2.9
255.08879	0.5
257.06799	7.4
268.09683	9.3
270.11249	0.7
281.06821	3.0
282.07449	0.5
283.08359	3.7
298.10727	39.6
309.06168	2.5
310.07080	3.8
312.08591	0.7
327.07230	1.7
342.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	4.6
63.35561	0.5
66.47788	0.5
67.05504	0.7
68.80202	0.5
71.68017	0.5
85.02917	0.7
87.04471	0.6
91.05460	0.8
91.88814	0.5
95.04942	0.9
99.04456	0.7
104.40887	0.6
107.04936	0.6
107.08553	0.8
109.06519	0.6
110.07307	1.2
119.04925	0.6
121.06505	1.0
125.09678	0.6
135.82088	0.5
149.06017	4.4
151.07513	2.7
174.05548	2.3
176.07086	2.3
178.08658	2.4
189.07831	0.8
214.08682	2.8
216.06662	0.7
228.06584	1.2
229.07365	1.1
230.08151	3.0
237.09169	1.2
240.06567	3.4
252.06601	1.0
254.08159	3.6
256.06006	7.4
264.06427	0.9
265.08627	6.0
266.08151	1.4
271.08231	0.7
278.08179	1.0
280.05920	1.1
281.06943	2.7
282.08130	3.3
286.10812	1.2
288.16885	0.9
292.06125	1.0
292.09607	0.7
296.09140	1.1
297.11163	3.3
298.07071	1.0
299.08005	3.7
306.17477	0.6
309.06479	0.7
310.07117	15.6
310.10568	0.9
311.07861	1.0
314.10193	24.2
324.08646	3.1
324.18753	0.9
325.09396	7.9
327.11047	1.0
342.09723	100.0
342.16919	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	10.7
67.62190	0.3
70.06584	0.7
72.08139	0.5
86.09713	1.4
87.75139	0.3
90.50307	0.3
116.07144	0.8
137.05991	2.2
138.06369	1.5
139.05034	0.8
147.04448	0.4
158.99640	0.4
167.11816	0.5
177.07870	0.6
192.10194	30.8
195.11293	1.9
237.08949	0.7
239.09428	3.1
250.08862	0.4
265.08600	5.1
269.08081	0.8
271.08527	1.6
280.09689	7.7
281.10501	2.5
282.08820	2.1
292.10352	0.7
296.09213	10.7
296.12830	2.1
297.07620	3.6
297.11218	5.1
298.10855	0.6
308.05557	0.6
312.08740	0.4
312.12708	0.7
324.08643	8.5
324.12491	3.1
327.11002	3.1
329.56992	0.5
342.09720	100.0
342.13242	8.3
342.16486	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	6.6
78.56709	0.6
83.71534	0.5
99.04465	0.7
105.07008	1.2
135.39445	0.6
222.64937	0.6
224.07053	1.1
225.07829	8.0
239.09322	3.6
240.06569	0.8
254.08008	2.4
255.08984	0.7
257.06793	3.9
265.08588	4.3
268.09647	6.3
280.09769	1.5
281.06830	1.4
283.08334	1.5
296.09073	2.6
297.11151	2.5
298.10712	29.9
309.06326	2.8
310.07047	2.6
324.08533	5.4
327.07288	2.9
330.24374	0.6
342.09695	100.0
342.13004	4.3
342.16754	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99529	0.3
58.06605	7.1
66.89730	0.3
69.42002	0.3
69.61280	0.3
69.91414	0.3
71.54301	0.3
99.32176	0.3
140.14162	0.3
175.63068	0.4
238.08641	6.2
239.09303	3.2
266.08060	3.3
283.08340	0.7
298.10803	3.7
310.07083	27.1
324.08633	0.5
327.07333	1.5
342.09723	100.0
342.13159	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63663	0.9
69.03461	0.9
72.08137	1.1
74.98459	0.8
83.13922	0.8
84.08158	1.4
85.02903	6.6
91.05476	1.2
97.27622	1.0
99.69916	0.8
111.34595	1.0
113.02322	1.7
115.05447	4.4
127.03920	4.0
129.10326	0.9
129.22968	1.0
131.03424	7.1
131.04897	1.3
132.08078	5.1
133.06456	1.5
135.04404	0.9
137.05988	15.2
143.04927	30.3
145.04933	7.9
149.05968	7.2
150.09183	1.7
151.07538	1.4
153.05472	1.2
160.07558	10.0
161.04675	1.8
161.05969	45.1
162.05484	1.0
162.06705	1.6
163.06010	4.5
163.07471	1.3
164.07109	1.4
165.05479	1.7
170.02673	1.2
173.06131	1.0
176.07066	1.1
177.05498	1.7
177.91066	0.9
178.08623	88.8
180.06551	17.0
195.04773	1.4
200.84650	1.0
207.04536	1.0
207.08040	1.1
219.89896	0.9
234.11307	1.1
249.82498	0.9
289.05264	1.3
342.09995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90316	0.3
69.03409	0.4
69.28015	0.3
70.06596	0.6
76.37743	0.4
85.02908	2.7
91.05495	0.4
97.02876	0.7
110.27555	0.4
119.04932	1.5
121.06490	0.6
124.36662	0.4
134.90536	0.3
137.05984	11.9
145.04935	0.6
147.53220	0.4
150.73872	0.3
162.05515	0.8
178.04939	0.5
180.06558	100.0
180.10056	2.3
181.95409	0.4
185.23982	0.4
210.08690	0.8
236.05539	0.5
265.08621	0.5
297.11172	0.8
342.06644	0.7
342.11603	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50321	0.4
69.03437	0.5
72.08156	0.8
73.55478	0.4
73.95642	0.4
81.89586	0.6
85.02907	2.1
91.05484	0.6
92.20950	0.6
92.82941	0.4
97.02892	1.8
99.04473	0.8
112.05082	5.5
117.09086	1.0
120.04446	2.9
121.06474	0.9
125.04741	3.4
137.05957	8.9
138.05470	0.6
142.97816	0.5
157.88855	0.5
162.05511	1.0
174.58612	0.5
178.05008	2.8
179.05428	0.8
180.06554	100.0
180.09879	3.8
187.02040	0.4
208.09688	2.5
222.07854	0.5
226.10629	1.0
342.11801	16.7
342.15625	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90316	0.3
69.03409	0.4
69.28015	0.3
70.06596	0.6
76.37743	0.4
85.02908	2.7
91.05495	0.4
97.02876	0.7
110.27555	0.4
119.04932	1.5
121.06490	0.6
124.36662	0.4
134.90536	0.3
137.05984	11.9
145.04935	0.6
147.53220	0.4
150.73872	0.3
162.05515	0.8
178.04939	0.5
180.06558	100.0
180.10056	2.3
181.95409	0.4
185.23982	0.4
210.08690	0.8
236.05539	0.5
265.08621	0.5
297.11172	0.8
342.06644	0.7
342.11603	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50321	0.4
69.03437	0.5
72.08156	0.8
73.55478	0.4
73.95642	0.4
81.89586	0.6
85.02907	2.1
91.05484	0.6
92.20950	0.6
92.82941	0.4
97.02892	1.8
99.04473	0.8
112.05082	5.5
117.09086	1.0
120.04446	2.9
121.06474	0.9
125.04741	3.4
137.05957	8.9
138.05470	0.6
142.97816	0.5
157.88855	0.5
162.05511	1.0
174.58612	0.5
178.05008	2.8
179.05428	0.8
180.06554	100.0
180.09879	3.8
187.02040	0.4
208.09688	2.5
222.07854	0.5
226.10629	1.0
342.11801	16.7
342.15625	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1335
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
58.06608	6.6
72.30070	0.2
84.02553	0.3
107.44695	0.3
116.12312	0.2
151.03893	0.3
154.12242	0.4
159.10437	0.6
165.09122	0.6
176.07097	0.6
187.78760	0.3
189.07889	2.0
190.08618	1.4
191.08556	0.4
204.10237	1.3
205.06477	0.6
205.10925	3.2
207.08138	0.5
219.08047	0.6
222.06746	0.6
235.07439	0.4
237.09039	3.1
244.09711	0.3
251.10591	0.3
265.08582	8.9
267.06238	0.3
267.10165	0.6
281.10733	0.5
282.08853	3.8
284.12869	1.1
294.08594	0.4
294.11496	0.3
296.12796	1.5
297.11209	9.7
298.10733	2.9
308.23083	0.4
309.10147	0.3
310.11011	0.4
312.08594	0.3
312.12247	0.6
314.13852	1.3
321.58304	0.3
325.25830	1.5
326.10239	7.0
327.10910	5.1
342.13370	100.0
342.17010	11.5
342.28165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1335
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
58.06609	25.4
65.19836	0.3
69.96750	0.4
70.94260	0.3
92.20997	0.6
102.09811	0.3
107.44076	0.3
119.04962	0.5
123.10284	0.3
128.95493	0.3
135.04422	7.2
137.05989	2.5
149.05995	6.7
151.03926	0.5
159.38544	0.4
160.07544	0.5
161.06050	0.5
163.03923	1.7
167.15131	0.3
175.06230	1.2
176.06992	0.6
178.08687	3.2
188.07066	26.6
189.07851	28.3
190.08626	6.0
191.08591	0.7
192.10225	1.3
195.08063	0.7
206.06346	0.6
206.08136	9.5
207.08130	1.3
209.09608	1.3
213.09000	0.5
219.08083	2.1
222.06752	1.6
223.07521	1.3
225.09059	0.6
233.06041	0.4
235.07553	2.5
237.05476	0.5
237.09146	5.3
239.07034	0.3
241.08684	0.6
247.07559	3.8
250.06404	0.4
253.08566	1.8
253.11006	0.4
255.06448	1.3
263.07025	0.8
265.08606	19.7
266.11847	0.4
267.06607	0.6
267.10004	0.4
275.07065	6.0
279.10223	0.7
281.08185	0.7
282.08868	5.6
283.09558	0.6
284.10123	0.5
284.78128	0.3
293.08087	3.5
294.11212	0.6
297.11234	17.7
298.10611	0.4
299.12595	2.4
308.09180	0.8
309.09924	0.7
311.09146	2.4
312.12271	0.5
324.12280	8.4
326.09625	0.4
327.10849	1.4
327.14352	0.5
342.13303	100.0
342.17050	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1333
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
57.05711	0.9
58.06615	10.9
59.76580	1.0
70.06588	2.1
70.21284	1.3
77.06982	1.1
85.31788	1.0
120.73046	1.2
135.04372	7.9
136.97514	1.2
149.06001	7.8
153.05380	1.1
155.25536	1.1
163.03883	1.8
165.09105	1.7
175.06157	2.0
178.08626	13.6
188.07033	29.4
189.07840	33.5
190.08565	9.8
192.10194	33.2
195.08057	1.7
206.08162	11.1
206.11763	40.1
207.08043	1.5
235.07542	1.3
237.09035	2.7
247.07396	1.9
253.08672	1.7
263.07227	1.6
265.08569	7.2
275.07098	8.2
282.09079	1.6
293.08109	2.8
297.11240	5.6
308.09283	1.8
310.14081	1.5
311.09308	1.4
311.13040	1.3
312.12234	5.5
324.08798	1.3
324.12177	8.1
326.13635	9.6
327.14221	9.5
342.09930	4.5
342.13263	100.0
342.16968	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
58.06607	12.0
67.40993	0.6
72.64919	0.8
76.94975	0.7
135.04378	6.1
137.06049	1.0
149.05992	5.7
176.07207	0.8
178.08685	1.5
188.07077	20.9
189.07846	27.3
190.08679	5.0
206.08128	9.0
213.08899	0.9
227.43680	0.8
235.07402	1.1
237.09152	2.8
247.07582	3.0
263.07065	1.0
265.08551	8.8
275.07068	6.5
282.08981	1.4
293.08060	1.3
297.11209	7.1
308.09274	1.0
324.12357	7.4
342.13361	100.0
342.17062	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.8
68.20102	0.6
70.90944	0.7
121.06494	5.0
150.06685	1.2
151.07545	7.6
156.53767	0.7
163.06317	1.3
165.09126	2.9
176.06947	1.3
178.08620	100.0
189.07835	1.6
192.10193	4.1
202.84462	0.7
204.13942	1.0
222.14929	0.9
276.01898	0.8
281.10422	0.9
292.09644	10.4
294.07629	1.1
297.11160	0.9
308.05582	1.6
309.06525	1.1
309.09879	10.6
310.10684	20.4
312.08508	9.4
324.08685	1.0
327.10718	11.2
342.13303	75.1
342.16980	66.6
342.20508	2.4
342.21347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.8
68.20102	0.6
70.90944	0.7
121.06494	5.0
150.06685	1.2
151.07545	7.6
156.53767	0.7
163.06317	1.3
165.09126	2.9
176.06947	1.3
178.08620	100.0
189.07835	1.6
192.10193	4.1
202.84462	0.7
204.13942	1.0
222.14929	0.9
276.01898	0.8
281.10422	0.9
292.09644	10.4
294.07629	1.1
297.11160	0.9
308.05582	1.6
309.06525	1.1
309.09879	10.6
310.10684	20.4
312.08508	9.4
324.08685	1.0
327.10718	11.2
342.13303	75.1
342.16980	66.6
342.20508	2.4
342.21347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
56.23872	0.6
57.03434	1.0
58.06606	21.5
60.24588	0.7
60.50516	0.7
67.05476	1.2
81.03417	8.3
81.07079	3.1
81.91325	1.0
83.08609	1.5
93.07050	1.8
95.04902	0.8
95.08557	1.3
97.02911	1.2
97.10180	2.1
103.24659	0.9
104.26861	0.8
105.91193	0.8
107.08582	0.9
109.10154	1.4
116.30589	0.7
121.06499	8.7
123.11724	0.9
123.40147	0.9
125.09637	2.0
126.60686	0.8
128.78819	0.9
137.81889	0.9
137.82866	1.0
139.07541	4.5
145.96037	0.9
149.06050	1.0
187.13284	0.9
189.07938	3.0
191.08658	1.5
209.09651	1.3
219.08142	2.6
222.06714	4.0
233.06189	1.4
235.07579	1.0
237.09062	11.6
247.07465	1.5
250.06259	1.7
265.08575	35.5
271.96310	1.0
278.08084	1.8
282.08838	15.0
289.18109	1.4
292.09641	13.1
294.07819	1.3
297.11179	31.9
299.12952	1.3
309.09900	11.2
310.07401	1.2
310.10699	27.0
312.08597	14.9
326.10254	2.1
327.11008	15.2
338.51111	0.9
342.10248	3.6
342.13293	100.0
342.17035	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
51.84639	0.6
54.88018	0.7
58.06598	4.5
58.64013	0.7
98.25040	1.0
102.81120	0.7
119.04939	1.1
121.06505	9.8
151.07549	8.5
163.06296	3.3
165.09103	3.5
176.07065	3.6
178.08623	82.2
189.07901	1.4
192.10236	3.8
204.13779	1.0
207.91507	0.8
222.14806	1.1
230.95715	0.8
265.08636	4.9
278.08148	1.2
281.10471	1.4
282.08932	1.7
286.39099	0.8
292.09705	15.3
294.07495	1.0
297.11203	3.2
309.09979	12.0
310.10739	29.5
312.08603	14.5
327.10944	19.1
327.14529	1.3
342.13284	100.0
342.17023	67.2
342.20361	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48578	0.3
52.41613	0.3
56.05045	0.3
58.06606	100.0
71.56269	0.3
79.67805	0.3
89.39888	0.3
90.31311	0.3
111.94439	0.3
139.05084	0.4
140.49620	0.3
144.50746	0.4
158.19859	0.3
195.11391	0.5
210.12383	0.4
212.90237	0.3
219.08257	0.3
237.09259	0.5
243.10252	0.4
248.02032	0.4
268.09750	0.5
271.09561	0.4
296.09140	0.6
297.11209	0.7
299.09195	0.8
303.97018	0.4
324.08542	1.4
342.09631	6.4
342.13333	50.7
342.16809	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48578	0.3
52.41613	0.3
56.05045	0.3
58.06606	100.0
71.56269	0.3
79.67805	0.3
89.39888	0.3
90.31311	0.3
111.94439	0.3
139.05084	0.4
140.49620	0.3
144.50746	0.4
158.19859	0.3
195.11391	0.5
210.12383	0.4
212.90237	0.3
219.08257	0.3
237.09259	0.5
243.10252	0.4
248.02032	0.4
268.09750	0.5
271.09561	0.4
296.09140	0.6
297.11209	0.7
299.09195	0.8
303.97018	0.4
324.08542	1.4
342.09631	6.4
342.13333	50.7
342.16809	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1333
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
53.92935	0.7
56.02372	0.8
58.06600	3.2
85.45192	0.8
90.78314	0.7
94.94707	0.9
121.06485	4.1
121.67503	0.8
151.07539	3.7
163.06255	1.3
165.09094	1.9
178.08623	58.7
185.23653	0.9
189.07857	1.7
192.10120	3.2
215.96106	1.0
233.05095	0.9
260.87024	1.0
265.08475	1.8
266.08133	1.5
280.09497	1.3
281.10513	1.3
292.09619	18.2
294.07623	1.0
297.11136	2.1
308.09283	1.6
309.09955	10.8
310.10748	30.8
310.14297	1.1
312.08627	16.3
326.10153	1.7
327.10959	18.5
342.13290	100.0
342.17026	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
51.48578	0.3
52.41613	0.3
56.05045	0.3
58.06606	100.0
71.56269	0.3
79.67805	0.3
89.39888	0.3
90.31311	0.3
111.94439	0.3
139.05084	0.4
140.49620	0.3
144.50746	0.4
158.19859	0.3
195.11391	0.5
210.12383	0.4
212.90237	0.3
219.08257	0.3
237.09259	0.5
243.10252	0.4
248.02032	0.4
268.09750	0.5
271.09561	0.4
296.09140	0.6
297.11209	0.7
299.09195	0.8
303.97018	0.4
324.08542	1.4
342.09631	6.4
342.13333	50.7
342.16809	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22023	0.5
58.06611	17.9
58.92607	0.6
69.52472	0.6
99.73613	0.6
101.50823	0.8
119.04935	0.8
119.29308	0.6
120.80002	0.6
135.04448	8.6
137.06015	1.2
149.05988	6.2
153.05458	0.8
160.88756	0.6
163.03824	2.2
176.07091	1.4
177.07831	0.9
178.08609	4.2
188.07068	30.0
189.07846	34.2
190.08681	4.2
192.10222	3.1
195.08012	1.4
206.08122	9.7
207.08109	1.5
223.07608	0.9
235.07477	1.1
237.09161	1.6
241.08438	0.7
247.07555	4.4
253.08630	1.7
255.06476	0.8
263.06964	1.1
265.08636	11.9
275.07001	6.8
279.36060	0.9
281.08047	2.6
282.08911	4.5
293.08099	1.5
294.11374	0.9
297.11111	9.2
299.12659	1.2
308.09076	0.9
311.09131	1.6
324.12210	8.0
331.18793	0.9
342.09897	4.6
342.13376	100.0
342.17090	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31746	0.4
58.06606	100.0
82.04104	0.4
83.49041	0.4
87.88564	0.4
90.49819	0.4
243.10054	0.5
253.12640	0.5
298.10721	0.9
342.09702	3.8
342.13321	48.9
364.41507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
53.31746	0.4
58.06606	100.0
82.04104	0.4
83.49041	0.4
87.88564	0.4
90.49819	0.4
243.10054	0.5
253.12640	0.5
298.10721	0.9
342.09702	3.8
342.13321	48.9
364.41507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
57.22023	0.5
58.06611	17.9
58.92607	0.6
69.52472	0.6
99.73613	0.6
101.50823	0.8
119.04935	0.8
119.29308	0.6
120.80002	0.6
135.04448	8.6
137.06015	1.2
149.05988	6.2
153.05458	0.8
160.88756	0.6
163.03824	2.2
176.07091	1.4
177.07831	0.9
178.08609	4.2
188.07068	30.0
189.07846	34.2
190.08681	4.2
192.10222	3.1
195.08012	1.4
206.08122	9.7
207.08109	1.5
223.07608	0.9
235.07477	1.1
237.09161	1.6
241.08438	0.7
247.07555	4.4
253.08630	1.7
255.06476	0.8
263.06964	1.1
265.08636	11.9
275.07001	6.8
279.36060	0.9
281.08047	2.6
282.08911	4.5
293.08099	1.5
294.11374	0.9
297.11111	9.2
299.12659	1.2
308.09076	0.9
311.09131	1.6
324.12210	8.0
331.18793	0.9
342.09897	4.6
342.13376	100.0
342.17090	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22023	0.5
58.06611	17.9
58.92607	0.6
69.52472	0.6
99.73613	0.6
101.50823	0.8
119.04935	0.8
119.29308	0.6
120.80002	0.6
135.04448	8.6
137.06015	1.2
149.05988	6.2
153.05458	0.8
160.88756	0.6
163.03824	2.2
176.07091	1.4
177.07831	0.9
178.08609	4.2
188.07068	30.0
189.07846	34.2
190.08681	4.2
192.10222	3.1
195.08012	1.4
206.08122	9.7
207.08109	1.5
223.07608	0.9
235.07477	1.1
237.09161	1.6
241.08438	0.7
247.07555	4.4
253.08630	1.7
255.06476	0.8
263.06964	1.1
265.08636	11.9
275.07001	6.8
279.36060	0.9
281.08047	2.6
282.08911	4.5
293.08099	1.5
294.11374	0.9
297.11111	9.2
299.12659	1.2
308.09076	0.9
311.09131	1.6
324.12210	8.0
331.18793	0.9
342.09897	4.6
342.13376	100.0
342.17090	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1334
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
51.84639	0.6
54.88018	0.7
58.06598	4.5
58.64013	0.7
98.25040	1.0
102.81120	0.7
119.04939	1.1
121.06505	9.8
151.07549	8.5
163.06296	3.3
165.09103	3.5
176.07065	3.6
178.08623	82.2
189.07901	1.4
192.10236	3.8
204.13779	1.0
207.91507	0.8
222.14806	1.1
230.95715	0.8
265.08636	4.9
278.08148	1.2
281.10471	1.4
282.08932	1.7
286.39099	0.8
292.09705	15.3
294.07495	1.0
297.11203	3.2
309.09979	12.0
310.10739	29.5
312.08603	14.5
327.10944	19.1
327.14529	1.3
342.13284	100.0
342.17023	67.2
342.20361	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1392
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
53.76978	1.1
54.39665	1.0
57.03437	1.4
60.04541	2.3
60.53195	1.2
64.73058	1.2
66.63719	1.2
67.51265	1.3
69.03439	6.0
72.04534	3.2
73.02923	1.3
77.50091	1.3
80.05043	1.4
81.03431	3.0
84.04528	7.4
85.02914	11.4
96.04528	9.1
97.02914	9.1
99.04459	5.1
101.02393	1.8
110.06060	3.3
113.02369	1.7
114.05491	1.3
122.06024	1.3
126.05537	7.7
127.03907	13.5
138.05554	7.9
138.21800	1.2
143.87830	1.4
144.06552	17.2
145.05019	2.7
150.05513	2.8
156.06551	12.7
162.05573	2.2
162.07613	27.5
168.06577	5.3
174.07602	33.9
180.06580	3.3
186.07658	7.6
188.07097	1.5
192.06680	2.1
192.08798	1.6
198.07715	3.0
216.08775	5.2
222.07628	2.5
228.08722	6.2
240.08667	23.9
252.08615	2.3
258.09888	1.6
270.09698	7.2
288.10788	31.7
306.11823	100.0
324.12955	47.2
342.13950	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1394
Annotation	6-(alpha-D-glucosaminyl)-1D-myo-inositol
Peak:m/z	Relative Intensity
50.00799	1.0
56.05038	1.1
57.03433	1.2
57.59211	1.3
60.04508	1.9
62.90355	1.3
63.17840	1.2
65.96382	1.1
66.29433	1.1
69.03430	7.5
72.04490	2.3
77.61832	1.5
81.03421	7.1
83.05000	2.0
83.11910	1.3
84.04504	8.7
85.02897	10.9
95.75529	1.3
96.04503	10.4
96.50771	1.2
97.02882	12.4
98.06059	2.0
99.04448	2.6
101.02380	1.8
108.04440	2.4
110.06031	3.4
111.04454	1.4
112.00402	1.4
112.03979	2.4
114.05547	2.5
115.03938	2.7
122.06033	1.6
126.05519	9.5
127.03916	17.4
128.07123	1.8
134.06108	1.5
138.05513	8.2
144.06573	18.2
150.05553	1.9
152.79045	1.6
156.06560	10.1
162.05522	2.0
162.07590	29.0
168.06590	3.4
174.07607	36.5
176.26093	1.4
179.98183	3.4
180.06554	5.5
186.07631	7.8
192.06493	1.9
198.07607	2.2
204.08694	2.8
210.07579	1.9
216.08656	3.1
222.07640	2.6
228.08687	7.4
240.08630	24.8
252.08557	2.3
258.09720	2.1
270.09781	6.1
288.10754	37.6
306.11786	100.0
319.08652	1.8
324.12869	50.7
342.13953	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1391
Annotation	6-(alpha-D-glucosaminyl)-1D-myo-inositol
Peak:m/z	Relative Intensity
55.01866	1.0
57.38086	1.0
60.04507	1.3
61.02909	1.1
63.59737	1.1
69.03430	4.5
72.04501	2.0
73.02928	1.1
81.03400	4.2
83.04996	1.7
84.04507	5.7
84.21075	1.0
85.02908	8.6
96.04509	10.0
97.02911	10.0
99.04453	2.2
109.02909	1.5
110.06024	4.9
114.05492	2.2
115.03913	1.8
117.07021	1.8
120.04456	1.6
122.06010	2.5
124.01697	1.0
126.05543	8.4
127.03909	9.7
128.05534	1.0
136.11589	1.1
138.05531	8.6
140.07114	1.8
144.06532	19.2
145.06448	7.6
150.05528	2.4
156.06575	11.8
162.05499	6.1
162.07602	23.6
163.07545	10.7
164.07022	2.0
168.06509	4.7
174.07622	38.1
178.08575	1.9
179.98245	9.7
180.06564	7.3
180.10172	5.9
186.07620	6.1
192.10184	2.2
198.07576	2.7
204.08623	2.4
210.08771	1.2
216.08685	1.4
222.07530	1.7
228.08600	1.7
240.08658	27.8
252.08662	2.6
270.09644	6.7
288.10767	37.6
306.11832	100.0
324.12952	37.4
342.14059	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55296	0.8
62.60737	0.9
67.75183	0.9
69.03428	6.3
73.02930	0.9
81.03411	1.0
85.02911	17.2
87.04484	1.3
91.03950	1.0
97.02895	6.6
99.04414	1.4
109.02861	1.2
112.57947	1.0
117.07025	12.8
127.03906	5.9
137.05995	9.5
145.04996	1.5
145.06479	41.0
148.91779	1.3
151.07526	2.5
163.07526	76.8
178.08623	1.7
180.10196	86.6
190.34302	1.2
199.61116	1.3
211.69946	1.0
280.82028	1.0
319.23495	1.0
325.45294	1.1
342.15466	100.0
350.12616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
84.04481	1.2
85.02908	1.8
90.49039	0.8
95.05063	0.8
97.02892	3.7
98.06027	1.1
112.05113	1.3
117.07032	5.8
121.06503	13.3
126.05508	1.5
127.03961	1.9
130.12718	0.9
131.34590	0.8
136.72530	0.9
137.05984	1.0
144.06558	3.0
145.06497	16.8
151.07576	3.6
156.06578	5.0
161.06027	1.9
162.07660	4.4
163.07536	24.9
164.07069	5.3
165.09152	4.5
174.07625	24.1
174.09055	1.4
178.08623	6.5
179.09084	3.4
180.08891	1.4
180.10431	6.4
190.08755	1.0
191.09467	1.2
192.10201	21.6
204.10284	2.1
210.08745	1.8
222.11128	1.0
240.08563	1.0
288.10944	1.4
306.12131	5.8
324.14429	100.0
342.15506	92.4
346.16391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35171	2.0
50.48082	2.2
53.03960	4.6
55.01871	11.3
57.18268	2.5
69.03401	2.8
70.06593	13.5
71.04977	3.8
72.08155	24.8
72.80875	3.0
81.03428	11.3
82.00446	2.5
82.06581	15.0
83.04992	14.3
84.08127	3.2
85.02916	6.8
92.20866	2.9
97.02899	31.3
97.05295	2.5
97.06523	3.2
98.06043	3.9
99.04450	17.9
108.04520	11.2
110.06049	12.3
110.07159	3.6
112.03930	5.4
117.09151	4.6
120.04465	54.4
121.06512	78.8
125.04729	100.0
126.09150	11.0
127.03896	7.0
138.05496	27.2
143.05830	5.1
148.03989	3.3
150.09120	4.7
152.10706	12.3
162.09120	5.1
163.09665	4.5
164.10686	11.9
166.04967	5.4
180.06581	11.7
180.10175	93.1
198.11259	19.2
208.06032	10.8
208.09668	63.2
226.10715	48.7
244.11786	6.4
280.15503	3.5
284.44171	3.1
298.07318	3.5
315.00369	2.8
324.10876	9.6
324.14377	27.0
342.15622	89.5
342.19226	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
84.04481	1.2
85.02908	1.8
90.49039	0.8
95.05063	0.8
97.02892	3.7
98.06027	1.1
112.05113	1.3
117.07032	5.8
121.06503	13.3
126.05508	1.5
127.03961	1.9
130.12718	0.9
131.34590	0.8
136.72530	0.9
137.05984	1.0
144.06558	3.0
145.06497	16.8
151.07576	3.6
156.06578	5.0
161.06027	1.9
162.07660	4.4
163.07536	24.9
164.07069	5.3
165.09152	4.5
174.07625	24.1
174.09055	1.4
178.08623	6.5
179.09084	3.4
180.08891	1.4
180.10431	6.4
190.08755	1.0
191.09467	1.2
192.10201	21.6
204.10284	2.1
210.08745	1.8
222.11128	1.0
240.08563	1.0
288.10944	1.4
306.12131	5.8
324.14429	100.0
342.15506	92.4
346.16391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1698
Annotation	Secocularidine
Peak:m/z	Relative Intensity
51.88647	0.3
56.05048	0.4
58.06607	65.9
59.44668	0.3
156.75629	0.4
165.06995	0.5
179.08614	0.4
191.08514	2.8
201.72394	0.4
205.06505	0.8
207.07986	2.5
208.08786	0.4
209.09589	2.5
219.08023	4.3
222.06732	3.4
233.05983	1.8
235.07481	3.1
236.08369	0.9
237.09070	11.5
247.07585	2.1
250.06306	0.6
251.10689	0.5
255.10103	0.8
265.08575	42.5
266.09299	0.4
267.06641	0.5
267.10049	0.9
269.11621	0.6
278.80374	0.5
279.10098	2.1
282.08820	15.4
284.10373	2.0
297.11197	36.9
299.12790	5.6
311.12680	0.4
342.16989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
51.65804	0.2
58.06606	64.6
61.41020	0.2
68.32495	0.2
70.06576	0.2
71.04461	0.2
74.56964	0.2
75.01772	0.2
82.96924	0.2
105.37543	0.2
111.66601	0.3
162.35321	0.3
173.49048	0.3
177.66284	0.2
179.08578	0.3
191.08559	2.6
192.10127	2.4
194.07193	0.3
205.06519	0.9
207.08072	1.7
209.09627	2.8
219.08035	4.1
221.05829	0.3
222.06709	2.7
223.07581	0.3
233.06041	1.4
235.07498	2.7
235.09583	0.3
236.08371	1.1
237.09099	12.6
239.10898	0.3
247.07497	2.2
248.08485	0.3
250.06276	0.9
251.10658	0.6
255.10176	1.4
263.06830	0.3
264.07919	0.3
265.08569	44.5
266.09409	1.0
267.06650	0.3
267.10110	1.4
269.11752	1.4
279.10165	1.9
282.08841	14.5
282.11935	0.5
284.10449	2.2
297.11197	39.0
298.05295	0.2
299.12741	4.6
311.12558	0.5
342.16983	100.0
358.69974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
56.92661	1.2
58.06607	69.3
69.91969	1.3
119.83727	1.2
144.28690	1.4
188.07127	6.1
189.07774	4.9
191.08595	2.5
192.10173	3.3
207.07951	1.7
219.08011	6.5
224.03296	1.5
235.07498	2.0
237.09024	13.2
265.08612	55.9
275.07190	1.9
282.08875	16.5
290.18134	1.6
294.37442	1.7
297.11234	46.7
299.12799	3.2
302.85275	1.9
317.99777	1.7
342.13272	24.3
342.16977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1696
Annotation	Secocularidine
Peak:m/z	Relative Intensity
55.71476	0.8
58.06606	67.2
74.15945	0.8
78.32172	0.8
83.74296	0.9
84.00228	0.7
84.32971	0.9
86.09696	1.0
141.69395	0.8
151.03917	1.2
188.07077	1.7
189.07880	1.6
190.08582	3.8
191.08531	1.1
205.11029	1.5
207.08060	1.5
209.09618	2.1
219.08031	1.8
222.06775	3.2
233.06023	1.7
237.09087	13.1
247.07443	1.7
250.06291	1.4
265.08578	50.3
275.07086	1.0
275.52112	0.9
282.08798	17.3
297.11185	38.5
299.12802	5.7
326.09525	1.7
327.10626	5.5
342.13147	26.0
342.16977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1699
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06610	58.2
71.09055	0.6
104.56331	0.5
144.89720	0.5
191.08594	3.5
207.08128	2.4
209.09595	2.2
219.08109	3.7
222.06799	3.2
233.06122	1.1
235.07465	2.4
236.08295	0.6
237.09093	10.8
244.50314	0.6
247.07590	2.3
250.06198	0.7
251.10838	0.7
255.10164	0.8
265.08591	42.3
267.06436	1.0
279.10202	1.2
282.08865	15.2
284.10205	0.9
297.11224	36.2
297.14615	1.2
299.12741	4.1
342.17007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
55.83515	0.3
58.06606	70.7
60.79540	0.2
65.61060	0.3
82.76603	0.2
100.07224	0.2
106.26727	0.3
110.86462	0.3
111.36481	0.3
143.16550	0.3
176.29340	0.3
179.08519	0.4
187.65918	0.3
191.08539	2.5
192.10196	2.4
194.07141	0.9
195.07924	0.4
205.06567	1.2
207.08040	2.3
208.09032	0.3
209.09590	2.9
219.08037	4.6
222.06744	2.7
225.13091	0.3
233.05917	2.0
235.07465	2.9
236.08257	0.5
237.09071	12.8
239.10637	0.3
247.07623	1.8
248.08397	0.4
250.06256	1.8
251.10793	0.6
255.10066	1.1
265.08572	48.9
266.09421	0.6
267.06424	0.4
267.10147	1.6
269.11740	1.4
279.10141	2.6
280.30988	0.3
282.08838	15.0
284.10480	1.8
297.11197	44.5
299.12738	5.4
311.12851	0.6
327.14523	0.3
342.16983	100.0
357.18912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1698
Annotation	Secocularidine
Peak:m/z	Relative Intensity
50.87613	0.6
53.24931	0.6
58.06608	77.0
65.74548	0.6
68.20945	0.6
191.08556	3.7
194.07201	1.0
207.07991	3.4
209.09698	1.5
219.08060	4.7
222.06796	4.1
233.05991	1.4
235.07597	1.6
237.09108	15.3
239.10907	0.8
251.10654	0.8
255.10136	1.3
265.08572	53.1
266.09317	0.8
267.06525	1.0
269.11652	1.1
279.10184	1.4
281.11633	0.7
282.08847	18.6
284.10297	1.7
297.11209	45.7
299.12823	6.4
306.87354	0.8
342.16992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06607	54.5
63.21859	0.7
70.40099	0.6
81.69757	0.6
95.65951	0.8
97.21123	0.7
181.84424	0.8
189.19595	0.8
191.08575	1.5
192.10109	5.6
207.08063	0.9
209.09627	3.5
219.08052	2.8
222.06871	0.9
230.33469	0.9
233.05841	1.3
235.07585	0.8
237.09058	10.0
247.07530	1.0
255.10316	1.2
264.07687	1.1
265.08578	36.1
271.32913	0.7
282.08835	11.2
284.10419	1.3
297.11215	36.1
299.12762	1.7
327.10898	0.9
331.11255	1.1
342.13483	6.2
342.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1698
Annotation	Secocularidine
Peak:m/z	Relative Intensity
53.44491	0.6
53.82744	0.6
54.05289	0.6
58.06608	60.0
64.91176	0.6
72.69817	0.7
97.48985	0.6
101.98975	0.7
191.08488	2.5
207.08092	3.1
209.09589	1.3
219.08078	4.2
222.06775	3.3
223.52699	0.7
233.05960	1.0
235.07501	1.2
237.09073	12.8
255.10219	0.7
265.08588	45.0
266.09369	0.8
267.09995	1.1
269.11716	1.4
279.10330	1.0
282.08853	16.5
284.10583	1.2
285.77374	0.8
297.11212	39.4
299.12924	4.0
342.17004	100.0
349.34506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05512	7.2
56.26124	1.1
56.92957	1.4
57.03433	5.9
58.06588	2.8
59.04984	1.4
67.05518	11.8
69.03413	6.6
69.07057	6.2
71.04987	1.6
76.14128	1.3
79.05486	6.4
81.03424	46.7
81.07061	9.7
83.04980	2.9
83.08605	5.5
83.67427	1.4
91.05472	6.5
93.07044	9.6
95.04960	8.0
95.08605	6.2
97.02875	8.9
97.06550	3.2
97.10163	15.1
101.70307	1.4
107.04939	1.6
107.08585	6.5
109.10143	10.5
111.08096	5.7
119.08573	6.3
121.06475	13.6
121.10124	2.8
123.08073	2.3
123.11728	6.2
125.09622	12.2
133.10129	9.3
135.04108	1.4
135.08066	5.4
137.09622	2.9
139.07556	20.0
147.11694	2.1
151.11169	1.5
154.12204	1.4
156.10246	1.5
161.13272	1.9
170.11864	2.2
178.08661	2.2
182.11699	2.7
187.13254	7.5
189.07935	4.8
189.11241	3.4
189.12738	2.0
231.52388	1.6
237.09280	1.8
243.17558	1.7
265.08563	2.9
271.16779	1.9
281.10422	2.1
289.18066	13.2
292.09558	16.1
294.07703	2.3
297.11264	1.9
307.18979	2.9
309.09958	8.6
310.10785	27.4
312.08624	14.2
327.11090	20.5
342.13339	100.0
342.16809	7.3
342.23444	3.3
343.20917	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.9
55.05516	24.4
56.05036	4.3
57.03428	3.8
57.07078	19.4
58.06592	7.3
60.04532	64.3
61.47237	2.8
67.05511	64.5
69.03422	5.7
69.07079	32.7
70.02988	3.2
71.08625	16.1
72.04525	6.2
73.44526	2.6
76.05840	2.8
79.05506	36.9
81.03411	18.0
81.07060	68.4
83.04986	4.8
83.08624	18.6
84.04489	5.5
85.02897	4.0
86.06055	3.5
86.35565	2.7
88.03987	12.8
91.05482	24.7
93.07051	38.6
94.19531	3.0
95.04965	21.4
95.05508	2.7
95.08605	73.2
97.06583	4.3
97.10159	16.0
98.06038	7.0
100.03962	5.1
105.07029	24.5
107.08602	22.2
109.06516	3.5
109.10134	32.8
110.06133	3.6
111.04436	3.8
117.07029	22.8
119.08573	21.8
119.84252	2.9
121.06528	16.8
121.10149	34.8
123.08101	6.6
123.11725	7.8
131.08571	27.9
133.10123	21.5
135.08012	23.1
135.11714	12.6
137.09607	5.8
141.12767	4.0
145.10118	17.7
147.11539	3.3
149.09596	4.8
149.13199	3.4
154.12228	14.1
155.12636	4.7
159.11710	5.3
162.09160	3.9
163.11162	3.8
173.13271	3.3
178.08636	6.1
182.11789	6.1
217.19513	4.8
233.99850	2.9
243.21112	17.9
260.23721	4.5
261.22098	71.9
265.08536	7.5
278.24811	36.6
279.23178	24.6
288.23343	8.7
296.25708	5.1
297.11246	12.8
306.24237	20.1
310.06882	4.4
324.25308	100.0
342.13312	26.7
342.17038	20.1
342.28540	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
55.05515	5.0
57.07074	23.0
58.06603	19.7
62.32934	3.9
67.05514	42.3
69.07061	26.1
71.08624	22.1
75.06458	4.0
76.00435	4.0
79.05493	5.5
81.07066	54.8
83.08624	18.0
85.10179	17.6
91.05494	5.8
93.07063	22.7
95.08620	59.1
97.06528	8.0
97.10179	5.0
107.08627	9.6
109.10159	23.7
121.10137	7.2
123.11733	8.8
135.11714	28.7
144.73589	4.5
145.10010	4.8
149.13243	5.5
153.12726	8.5
184.57304	3.8
188.73921	4.0
237.96272	4.0
265.08591	16.3
297.11188	6.7
297.26233	23.7
301.20142	8.4
306.27930	5.7
307.26309	59.5
319.21213	55.9
324.28961	100.0
337.22263	37.6
342.13324	17.0
342.17065	19.5
342.20798	7.5
342.30020	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3001
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
57.07078	7.5
58.06403	1.0
58.06607	16.8
71.08633	6.1
81.07050	2.5
82.68240	1.3
83.08618	1.4
85.10190	2.3
86.06067	100.0
87.04447	10.6
95.08591	3.1
104.07108	23.0
109.10152	2.0
117.35261	1.3
197.06163	1.3
200.38760	1.4
237.09061	3.0
265.08563	14.0
282.08725	5.9
297.11200	14.6
310.07391	1.4
310.10876	1.7
317.83389	1.6
324.32520	6.6
327.10956	1.9
342.13226	11.3
342.16989	27.0
342.30054	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.03437	3.6
57.07082	31.3
58.06610	4.4
58.07410	3.7
58.08898	2.0
60.04525	24.5
61.36258	2.1
63.19608	2.0
67.05506	10.1
69.07048	4.2
69.17149	1.9
70.07379	2.2
71.08627	14.1
71.49301	2.0
72.08954	4.9
74.07603	1.8
81.07050	5.4
83.08597	2.8
85.10191	13.2
86.33826	2.1
88.07626	11.8
89.22095	2.2
95.08622	16.1
97.10191	3.7
109.10137	2.9
121.06467	2.6
128.43549	2.1
207.51756	2.6
298.27197	2.7
324.28983	4.8
342.13297	13.3
342.16989	5.1
342.30698	100.0
361.36810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
60.45137	0.2
60.91309	0.2
66.10893	0.2
68.53468	0.3
75.29103	0.2
178.93153	0.3
237.09496	0.3
247.68352	0.3
265.08615	0.3
297.11295	0.3
342.13358	1.1
342.17230	1.1
342.31540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.4
63.92325	0.2
66.60801	0.2
68.38302	0.2
77.95300	0.2
78.04681	0.2
86.05994	0.3
107.07341	0.4
160.11209	0.4
197.73817	0.2
263.90027	0.2
265.08655	0.3
297.11169	0.4
342.17130	1.1
342.31537	100.0
361.90765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	4.0
58.06591	0.4
60.08147	0.5
60.41375	0.4
67.05476	0.8
69.07043	1.0
70.86653	0.5
71.08630	3.8
73.02921	0.7
81.07040	0.7
83.08620	1.1
84.80755	0.4
85.10143	2.6
95.08575	2.2
97.10134	0.6
102.51643	0.4
109.10101	0.5
148.49820	0.4
185.15456	0.4
283.26303	100.0
336.92786	0.5
342.33667	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72348	0.4
55.05490	0.6
56.15000	0.4
57.07076	5.7
57.56307	0.5
67.05491	0.8
69.07064	0.9
71.08631	4.2
74.89567	0.5
79.71939	0.4
81.07054	0.6
83.08586	1.0
85.10146	2.1
87.99662	0.5
95.08552	1.0
97.10143	1.9
109.10149	0.5
109.69300	0.4
111.80553	0.5
117.48086	0.5
210.85686	0.6
276.65570	0.5
283.26318	100.0
342.13315	0.6
342.33673	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43929	0.4
51.77495	0.3
55.76675	0.4
57.07083	5.5
59.17163	0.3
60.08174	0.7
60.78778	0.4
69.07034	2.0
71.08640	3.0
81.07052	0.8
83.08618	1.0
85.10188	1.8
95.08586	2.4
97.10155	0.5
109.10114	0.4
126.54755	0.4
147.64786	0.4
148.65903	0.4
230.26718	0.5
251.93036	0.5
283.26315	100.0
342.33670	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34100	0.3
53.22755	0.3
56.29997	0.3
57.07081	5.6
60.08160	0.6
67.05501	0.8
69.07053	1.0
71.08624	3.2
73.02895	0.4
81.07047	0.9
83.08600	2.0
85.10169	2.3
95.08608	2.2
97.10140	0.9
101.66515	0.4
109.10078	1.5
123.11767	0.5
146.04158	0.4
157.25140	0.4
195.77739	0.5
224.54826	0.5
283.26303	100.0
342.33652	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	2.7
58.06602	4.9
63.85053	1.1
65.87348	1.0
71.08637	2.3
85.34699	1.1
99.70086	1.2
164.24103	1.2
174.18559	3.0
186.28416	1.5
230.24799	5.7
235.35831	1.4
265.08575	1.6
280.62576	1.5
312.08444	1.4
317.77383	1.3
342.13193	6.9
342.17108	8.3
342.31616	7.9
342.37289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
53.31835	0.8
58.06581	2.7
92.20903	1.4
105.03376	2.3
105.55397	1.0
107.04940	1.4
122.90244	1.2
143.97548	1.1
151.85619	1.5
172.16835	1.2
178.05219	1.3
266.08957	4.4
267.06451	2.4
281.08069	7.5
282.08786	7.6
283.05472	2.3
283.09540	2.2
295.05939	6.8
295.09573	1.4
298.11392	2.5
308.12799	1.7
309.07538	49.7
310.08478	29.3
314.07581	1.5
320.09149	2.7
325.10672	100.0
326.43909	1.2
328.07288	2.4
328.10938	1.9
332.09055	1.4
334.10754	6.4
335.08014	1.8
336.12405	1.7
343.11621	40.0
343.17523	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	Cudraniaxanthone
Peak:m/z	Relative Intensity
50.69238	0.4
51.27057	0.4
53.19510	0.5
56.92205	0.5
67.05489	0.9
79.50390	0.5
81.07041	0.6
83.24028	0.5
93.07011	0.6
105.03342	3.3
107.08530	0.9
110.36103	0.5
112.41525	0.5
115.05454	5.9
121.10117	1.1
142.76526	0.6
163.11072	1.2
167.03314	0.8
190.04974	0.8
209.85141	0.6
213.03767	1.1
227.12631	2.6
238.09537	0.5
263.06906	0.6
264.07541	2.9
266.08875	0.9
267.06485	1.2
276.81808	0.7
280.07120	0.9
281.07816	3.1
282.08704	3.4
285.07538	7.1
292.06952	2.8
292.29700	0.6
293.10138	4.1
294.05029	0.8
295.05847	1.2
298.11346	1.1
299.09229	4.7
309.07468	15.8
310.07928	8.3
311.11328	6.7
312.06064	1.2
313.06870	16.2
327.08621	82.1
328.09308	47.3
328.14792	0.8
334.08752	0.8
343.11530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1234
Annotation	Sucrose
Peak:m/z	Relative Intensity
50.43492	0.8
55.01883	10.1
56.81954	0.8
57.03445	7.3
57.79421	0.8
61.02945	10.7
63.25822	0.9
69.03438	26.4
71.04991	1.0
71.25703	0.9
73.02920	6.9
75.52333	1.0
78.21215	1.0
81.03414	7.1
82.34633	1.1
85.02910	100.0
86.03262	1.5
87.04478	1.9
91.03957	6.9
97.02893	32.9
99.04452	9.9
101.02374	5.6
103.04015	1.2
108.52060	1.0
109.02878	8.0
115.03932	4.8
127.03918	68.1
128.04280	1.3
145.03830	1.9
145.04958	47.4
146.05463	1.2
163.06027	14.8
174.98611	1.3
180.97496	1.6
198.98581	9.0
243.64970	1.1
283.00580	2.1
320.52115	1.1
343.13718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05520	28.6
58.06602	2.3
67.05527	1.7
69.03426	9.0
70.36252	1.5
71.04980	1.4
79.05470	2.1
81.03433	16.7
81.07036	2.4
83.04980	100.0
84.40929	1.7
85.02917	7.5
91.05522	1.6
95.04962	6.4
97.02876	2.5
99.04457	48.9
107.04980	2.4
109.02842	2.6
111.04440	7.3
118.04794	1.7
123.04388	2.9
129.05481	3.9
145.04980	1.9
149.06076	1.6
150.97388	3.1
171.01941	1.7
181.04926	3.3
183.81236	1.8
192.98404	1.8
207.73055	1.6
209.07999	2.4
236.46703	1.9
298.07147	3.4
313.02673	2.1
328.07639	10.4
343.09882	25.5
343.13708	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	31.2
57.03440	2.1
59.05006	2.1
60.94938	1.6
69.03430	11.5
70.06602	14.4
71.53086	1.7
72.08161	48.2
76.50506	1.7
81.03421	12.0
83.04989	100.0
84.08170	2.0
85.02920	9.5
92.85384	1.7
95.04978	3.8
97.02909	3.5
97.06558	2.1
99.04443	49.1
107.04922	2.7
109.02906	4.2
111.04427	7.3
112.01893	1.9
115.08598	2.3
116.07094	39.0
121.06497	3.7
125.05975	1.8
127.03886	4.3
129.05476	7.5
129.06627	2.4
135.36586	1.7
150.97321	3.0
179.07071	2.4
193.10832	11.6
211.11884	27.3
228.13435	7.9
241.06769	2.5
298.07260	2.1
313.02460	2.4
341.14896	2.1
343.09760	10.9
343.12927	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
61.02948	0.6
65.37994	0.6
69.47578	0.7
70.06598	9.7
73.02911	0.8
79.05482	1.0
81.03416	1.3
86.09705	4.8
91.05458	0.9
95.04955	1.0
97.02868	1.0
103.05460	1.1
105.07036	39.3
109.06574	0.7
116.07056	1.1
124.05235	1.1
129.10205	0.6
131.57132	0.7
133.06500	100.0
137.05984	80.0
163.07513	1.2
164.07915	1.7
165.09106	47.3
180.10204	1.6
181.04875	0.9
181.10562	4.7
183.11328	1.1
213.08792	0.7
217.08675	0.8
230.11368	5.5
343.15738	6.2
343.19733	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31327	0.9
51.01532	0.9
54.20356	1.0
55.01886	2.2
64.05195	1.0
64.26591	1.0
70.06585	2.4
78.08714	1.2
79.05467	1.9
80.52119	1.1
81.03432	1.8
85.02879	2.3
86.09730	2.7
86.62229	1.2
95.05017	1.3
97.02859	1.2
97.68168	1.0
101.98827	1.1
103.05449	1.8
105.07035	46.5
110.07122	1.2
111.62080	1.2
116.07059	1.3
130.48737	1.2
133.06493	100.0
137.05986	88.5
137.07054	2.4
150.17308	1.3
162.06329	1.1
165.09091	46.0
181.04947	14.5
183.11287	1.3
226.08684	1.8
298.07022	15.4
326.06598	2.0
343.09604	10.5
343.13437	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Obovatifol
Peak:m/z	Relative Intensity
79.95435	2.0
80.61655	2.0
83.50634	2.3
95.08601	2.5
100.64322	2.4
105.07027	12.8
107.04958	2.5
115.05441	3.2
131.04927	4.4
133.06528	4.7
134.05682	2.1
134.62010	2.2
137.05995	15.2
146.03625	2.6
151.07492	5.0
157.78238	2.0
161.05969	100.0
161.26027	2.0
163.07550	21.4
175.07547	47.0
177.26610	2.2
189.12842	2.8
189.42577	2.1
205.10069	4.7
207.08151	2.9
222.06767	2.9
233.09644	16.2
235.07535	8.5
237.09023	13.1
239.10648	2.5
250.06281	3.8
250.09851	11.3
252.07835	11.2
261.09033	16.3
262.09674	2.8
264.07761	5.1
265.08588	57.0
265.11761	5.7
267.10196	15.4
269.08148	4.0
275.10703	2.7
278.09344	15.0
279.10098	2.3
281.08102	2.4
282.08673	3.5
283.13339	4.2
284.10507	4.8
293.11734	28.6
297.11099	14.9
299.12875	11.4
310.12009	2.3
311.12796	73.9
325.14359	10.4
343.15353	89.6
343.22202	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	32.8
59.06932	6.6
60.25519	0.9
61.73399	1.1
61.93202	0.9
76.54347	1.0
103.05466	1.5
105.07030	6.5
107.04932	6.0
122.03676	2.0
130.04195	1.5
131.04922	7.6
133.06497	5.5
135.08087	2.3
137.05975	100.0
145.06485	1.2
146.03676	1.4
147.04385	4.7
149.05975	6.1
151.03888	1.4
151.07520	7.5
161.05978	20.8
162.06754	13.2
163.07544	24.8
165.09103	1.7
167.06979	1.9
171.68887	1.1
173.06026	1.2
173.09521	1.6
175.03935	1.4
175.07532	16.7
177.05426	1.8
177.09108	1.5
188.07085	5.1
189.07500	9.7
190.08195	8.7
201.09167	1.8
205.06572	1.9
205.10115	2.1
207.08253	4.7
209.09586	1.3
219.10147	4.1
220.08377	1.4
222.06905	1.7
224.08089	1.4
233.05820	1.4
233.09570	7.4
235.07599	1.2
236.08043	1.7
237.09073	8.5
238.09413	4.8
239.10553	1.2
241.08684	1.5
248.07985	1.8
250.06117	1.3
250.09946	2.0
252.07768	1.2
253.08632	1.2
261.09027	5.0
265.08597	19.2
265.12115	4.3
266.08914	25.2
267.10144	5.0
269.08038	4.8
271.01846	1.3
276.07401	1.7
278.05841	1.2
278.09183	1.0
279.10184	1.7
280.10388	1.1
281.08307	1.4
282.08945	9.6
283.09229	7.0
284.10349	4.5
293.11737	8.3
294.12369	4.5
295.09619	2.3
297.11221	35.0
297.14655	3.8
298.11520	17.6
299.12750	16.5
310.11783	5.2
311.12717	9.1
325.14471	13.2
343.13831	34.8
343.17126	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Obovatifol
Peak:m/z	Relative Intensity
58.79546	1.9
59.95241	1.8
70.03493	2.0
94.46481	2.0
103.05453	5.4
105.07030	12.4
107.04969	10.1
109.06596	2.2
131.04901	20.8
133.06508	8.3
137.05965	22.4
142.20613	2.3
146.03618	3.3
149.06004	3.3
151.03882	2.2
151.07582	2.2
161.05972	86.2
161.07321	3.7
162.06827	2.6
163.07533	22.4
167.06979	2.8
175.07553	39.0
181.08565	8.5
189.09123	8.9
189.79008	2.5
193.46681	2.3
194.07272	2.6
196.06290	2.1
205.10092	11.9
218.07433	3.5
219.07993	3.3
219.10086	3.3
221.06044	3.6
221.09741	2.5
222.06989	3.1
224.08359	2.3
232.08882	2.7
233.06036	3.3
233.09587	13.2
235.07709	6.0
236.08270	3.3
237.09109	17.2
239.10701	3.2
249.08882	2.3
250.06194	3.8
250.09883	8.2
252.07803	4.6
260.08371	2.4
261.09070	11.3
262.09985	2.5
263.07135	3.3
264.07800	9.3
265.08563	62.2
265.12070	4.6
266.08939	2.4
267.10156	10.7
269.08206	2.2
269.11514	2.4
274.87143	2.4
278.09225	15.6
279.10281	3.9
279.83286	2.4
281.08359	2.5
282.08963	4.9
283.13431	3.4
284.10370	4.7
293.08401	3.6
293.11639	32.1
297.11221	22.0
297.14313	2.8
299.12799	11.0
310.08322	3.2
310.11896	4.1
311.09555	3.9
311.12769	53.4
312.13763	2.8
325.14218	8.0
343.11676	9.4
343.15393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43456	1.0
58.06607	54.5
59.06935	7.6
65.34743	0.8
65.35650	0.9
66.76971	0.9
71.84358	0.9
74.68132	0.9
87.65173	1.0
88.48889	0.9
182.86130	1.2
192.08902	1.4
201.05113	1.1
210.09901	1.3
220.08455	4.6
234.63707	1.2
237.09036	5.1
238.09459	12.9
248.08043	1.5
260.35501	1.1
265.08542	8.0
266.06119	1.6
266.08926	38.6
271.45764	1.1
282.08939	2.2
283.09201	13.9
285.10629	1.6
297.11276	6.8
298.11526	35.9
300.13098	5.6
343.17331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	10.9
59.06932	2.8
116.32349	0.5
146.48303	0.6
165.09183	0.8
177.07843	1.0
178.08362	0.9
190.08612	0.9
191.09004	1.0
192.08736	1.0
192.10196	48.3
193.10535	63.6
206.11768	3.5
207.12074	4.6
237.08600	0.8
238.09346	1.0
246.06526	0.6
266.08975	8.1
283.09235	3.3
298.11575	8.0
300.13452	0.7
313.12674	5.4
326.12781	0.9
327.13477	7.1
328.14523	8.1
334.11014	0.8
335.11285	1.1
343.10315	3.5
343.17297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17339	0.8
62.55628	1.0
83.18478	1.1
83.94620	0.9
151.07518	5.5
152.07880	3.9
163.06276	1.1
165.09117	3.7
178.08627	72.6
179.08972	76.9
183.24678	0.9
191.09200	1.3
192.10205	2.0
193.10559	1.6
242.76846	0.9
311.11121	4.4
314.62674	1.0
320.09534	1.0
327.14291	1.9
328.11130	1.2
328.14853	1.4
343.13617	15.0
343.17313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	5.4
59.06934	0.7
70.06581	1.5
121.64047	0.7
121.95438	0.6
146.22794	0.6
152.07985	0.6
164.88129	0.6
177.07898	0.8
178.08249	1.0
179.08946	0.9
188.07111	1.0
189.07602	1.4
190.08368	3.4
191.09030	1.0
192.10184	37.2
193.10545	49.8
206.11746	12.3
207.12085	20.5
257.69275	0.6
265.08533	0.9
266.08981	2.7
283.09314	1.1
294.08102	0.7
297.11407	0.7
298.11569	3.2
311.14429	0.9
312.12250	0.8
313.12442	4.5
327.13794	5.6
328.14832	7.4
335.11429	1.1
343.10577	24.9
343.13766	10.0
343.17297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86155	0.9
58.06607	48.2
59.06949	8.0
64.87558	0.8
75.55006	0.8
99.04454	1.5
100.43414	0.8
106.34111	0.9
121.56937	1.0
121.57840	0.9
137.05908	0.9
142.03242	2.2
146.36603	0.9
147.04411	1.0
175.04015	0.9
208.08302	0.9
220.08476	1.6
223.07306	1.8
234.06326	1.0
236.08025	1.5
237.08902	4.3
238.09537	10.2
240.07056	1.1
248.07994	1.7
251.06384	0.9
265.08426	7.6
266.08914	37.2
267.09714	1.0
270.12036	1.3
280.10574	1.5
282.08640	1.7
283.09250	12.1
297.11136	4.5
298.11548	39.9
300.13174	4.9
325.10809	0.9
343.17310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	5.4
59.06934	0.7
70.06581	1.5
121.64047	0.7
121.95438	0.6
146.22794	0.6
152.07985	0.6
164.88129	0.6
177.07898	0.8
178.08249	1.0
179.08946	0.9
188.07111	1.0
189.07602	1.4
190.08368	3.4
191.09030	1.0
192.10184	37.2
193.10545	49.8
206.11746	12.3
207.12085	20.5
257.69275	0.6
265.08533	0.9
266.08981	2.7
283.09314	1.1
294.08102	0.7
297.11407	0.7
298.11569	3.2
311.14429	0.9
312.12250	0.8
313.12442	4.5
327.13794	5.6
328.14832	7.4
335.11429	1.1
343.10577	24.9
343.13766	10.0
343.17297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid
Peak:m/z	Relative Intensity
55.52306	3.2
63.45473	2.6
67.05505	13.4
69.07068	15.2
79.05493	6.4
81.07045	26.3
91.05456	3.2
93.07049	16.2
95.04958	5.0
95.08599	22.2
97.06540	4.1
105.07034	24.9
107.08600	20.9
109.10147	8.5
111.08089	4.1
117.07066	5.7
119.08581	20.1
121.10105	6.3
123.08099	8.2
129.06987	5.2
131.08549	29.1
133.10146	16.8
135.11682	6.5
143.08598	21.2
145.10097	39.1
147.11630	4.4
151.07581	3.4
155.08577	5.3
157.10109	19.3
159.11703	20.4
163.11238	5.1
169.10094	8.1
171.11703	4.3
173.13245	13.6
181.10107	6.7
183.11665	5.2
185.13301	3.5
187.14848	6.7
195.11696	14.3
197.13237	7.4
199.14810	4.8
207.11731	5.5
209.13211	3.7
216.22520	3.4
235.14799	7.3
251.17946	8.2
258.28711	4.5
293.19040	19.2
311.19977	5.3
325.21539	16.1
325.25064	5.1
343.22519	100.0
343.26355	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	Longithorol D
Peak:m/z	Relative Intensity
58.33219	1.6
67.05497	6.3
69.07062	1.9
71.04984	2.5
71.58757	1.3
74.69784	1.2
79.05512	1.9
81.07086	10.1
83.08613	2.3
91.05458	6.0
93.07036	9.0
95.04963	1.6
95.08616	5.5
97.06509	1.8
97.41139	1.4
105.07016	9.1
107.08565	6.9
109.06498	1.9
109.10148	13.6
111.08075	1.6
117.07005	3.5
119.08556	5.8
121.10152	5.4
123.08060	7.0
129.06985	5.7
131.08545	5.7
133.10109	6.9
135.08051	3.2
136.69276	1.6
143.08575	18.9
145.10127	16.9
149.09607	6.2
155.08487	5.2
157.10089	19.1
159.11673	10.4
169.10095	9.1
171.11662	17.5
173.13129	1.9
181.10178	2.1
183.11751	5.6
187.11302	2.0
193.10149	2.5
195.11728	6.6
196.12550	1.4
197.13260	5.5
207.11702	2.2
209.13249	8.9
211.14783	2.9
219.11668	1.9
223.14897	2.5
235.14825	3.5
237.12845	1.6
249.16328	2.7
251.14247	3.1
251.17972	6.6
267.17441	1.8
275.17917	5.7
293.18915	26.9
293.21744	2.0
311.19974	2.3
325.21625	13.4
343.22656	100.0
343.26031	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid
Peak:m/z	Relative Intensity
50.03151	1.4
67.05499	1.6
71.05429	1.3
75.23579	1.2
79.05465	1.4
79.26832	1.2
81.07019	5.1
91.05504	2.1
93.07053	10.2
95.08605	2.3
105.07077	10.0
105.07632	1.4
107.08582	5.7
113.05994	2.4
117.06947	1.4
119.08600	6.8
121.10114	3.0
123.08091	1.9
131.08549	3.3
133.10129	5.6
141.47441	1.6
143.08548	8.5
145.10121	27.2
147.94691	1.5
157.10115	9.7
157.60475	1.6
159.11703	7.7
169.10152	1.8
171.11661	2.0
181.10150	2.1
183.11707	5.0
185.09566	2.7
185.13255	9.3
190.85983	1.4
191.75554	1.4
193.10091	2.2
195.11641	6.1
209.13199	5.4
221.13217	1.7
223.14735	2.6
235.14835	1.8
249.16380	3.2
250.17203	1.7
251.17897	6.9
275.17929	2.1
278.16678	2.1
293.19006	9.8
301.21603	3.2
325.21661	5.5
343.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.05510	3.3
77.67714	2.9
79.05497	3.7
81.07056	12.1
83.04965	6.0
91.05521	3.2
93.07046	16.4
95.08605	16.7
97.06535	4.1
105.07036	18.3
107.08559	7.7
109.06533	5.5
109.10177	3.2
111.08086	13.6
117.07002	6.7
119.08601	15.3
121.10139	3.7
123.08026	6.8
131.08557	17.3
133.10106	5.5
135.08055	6.3
143.08560	13.7
145.10144	7.4
147.08038	4.6
149.09659	10.5
157.10144	55.5
159.08105	3.7
159.11702	11.8
161.09563	4.1
161.45222	3.1
169.10182	5.4
171.11639	6.8
175.11151	14.2
181.10193	4.0
183.11676	15.1
185.09583	3.5
187.11212	4.8
195.11694	6.6
199.30304	3.6
201.12642	3.3
207.11673	3.8
209.13335	6.6
219.11722	4.1
235.14786	7.2
237.12711	4.1
238.69469	3.3
238.98950	3.2
241.15886	3.8
249.16306	6.7
249.37476	3.3
250.17166	5.2
251.14261	12.1
251.17970	12.6
253.15950	20.8
267.17395	6.8
269.15262	4.0
275.17926	5.0
278.16614	7.4
292.07898	6.9
293.18927	100.0
306.07544	15.9
306.58014	8.0
311.12592	3.5
311.20053	74.5
314.09058	24.8
314.59219	5.0
320.07291	5.4
320.57501	6.6
325.21698	44.4
328.08923	45.7
328.59088	5.3
335.60184	7.1
343.10983	35.2
343.22699	27.2
348.67004	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.05513	1.9
56.39029	1.2
57.03450	1.6
57.14966	1.3
67.05505	6.7
69.07025	1.8
71.04987	2.1
79.05508	8.5
81.07054	8.4
83.05016	1.6
83.05627	1.7
85.06551	4.0
93.07043	9.1
95.04969	2.4
95.08599	10.5
95.21182	1.6
97.06535	4.2
103.62957	1.7
105.07028	12.1
107.04959	4.1
107.08593	10.4
109.06517	8.1
109.10130	2.1
111.08098	7.9
117.07012	2.0
119.08571	7.6
121.06540	3.9
121.10095	2.6
123.08064	18.1
125.05963	2.8
125.09630	2.3
131.08580	7.7
133.10086	4.1
135.08069	4.3
141.07076	1.7
143.08569	8.6
145.10123	11.4
147.11711	7.5
149.09592	3.1
155.08586	1.9
157.10103	12.1
159.11731	12.9
161.13243	2.2
171.11703	4.0
173.09639	3.1
183.11728	3.8
187.11168	2.2
193.10191	2.0
199.11182	4.0
209.13269	7.4
211.77405	1.9
213.16411	2.7
223.14789	3.2
227.14287	7.9
235.14650	2.3
241.15862	4.1
244.33980	2.0
249.16226	2.4
250.17189	2.4
251.14316	2.8
251.17966	7.1
253.15753	3.6
253.65265	2.4
267.17389	4.2
269.15448	3.2
269.18921	6.5
293.18881	17.1
311.19995	20.1
325.21402	7.2
343.19101	4.1
343.22705	100.0
365.54633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Longithorol D
Peak:m/z	Relative Intensity
50.91277	1.2
67.05494	8.2
69.07059	1.8
71.04972	7.1
79.05504	13.0
81.07060	12.1
85.06535	2.7
91.05462	11.7
93.07071	16.0
95.04937	3.7
95.08590	7.4
105.07030	18.0
107.04942	3.5
107.08590	16.1
107.72122	1.7
108.59214	1.5
109.06539	2.9
109.10182	6.8
111.08083	14.5
115.07606	1.8
117.07026	3.9
119.08591	12.8
121.06489	3.4
121.10134	3.0
123.08060	6.6
129.06987	2.3
131.08585	12.8
133.10132	8.1
135.08092	11.1
135.11690	1.7
137.09561	5.6
139.07542	2.3
142.07773	2.3
143.08531	16.5
145.10127	22.5
147.08061	8.3
147.11684	6.3
149.09624	10.3
155.08551	11.2
157.10126	53.2
159.08025	2.3
159.11699	15.1
161.09598	11.4
163.11166	7.4
167.08537	1.8
169.10066	9.6
171.11726	12.1
173.09602	8.4
175.07584	2.1
175.11171	10.2
177.12859	2.2
179.08530	2.1
181.10074	6.3
183.11658	18.3
185.09636	10.4
185.13243	3.4
187.11113	2.8
189.12766	3.3
193.10139	11.6
194.10844	2.6
195.11696	13.5
196.12407	2.1
197.13286	6.2
199.11081	3.1
201.12772	2.2
207.11705	8.3
208.12447	2.2
209.13197	13.8
211.11276	2.3
211.14685	2.7
213.12776	3.6
218.10811	2.1
221.13269	3.4
223.14684	2.2
225.12804	2.0
231.13821	2.9
233.13290	3.1
235.14743	16.2
237.12775	4.0
242.18390	1.6
249.16365	13.8
250.17133	10.7
251.14299	16.1
251.17924	15.6
253.15967	3.1
260.15619	2.0
267.17438	2.2
269.15350	13.5
269.18930	2.5
275.18079	3.7
278.16656	10.6
293.18976	100.0
311.20023	37.0
325.21625	39.3
343.22665	97.0
343.26675	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Longithorol D
Peak:m/z	Relative Intensity
60.70441	2.0
61.11676	2.0
67.05527	3.6
67.81896	1.7
67.86202	1.9
69.07073	2.4
71.04968	3.9
73.01926	1.9
79.05502	11.6
79.37103	2.2
81.07058	14.4
83.08627	2.7
91.05473	4.8
92.21538	2.6
93.07040	14.1
93.07584	2.5
95.04960	2.8
95.08614	11.6
97.06557	3.3
105.07001	19.4
107.04958	4.3
107.08606	9.8
109.06530	2.8
109.10139	5.1
111.08092	9.6
116.12551	2.0
117.06996	2.9
119.08559	11.8
121.06525	4.2
121.10155	8.4
123.08083	3.4
131.08597	15.0
133.10147	8.9
135.08026	3.4
135.11655	2.5
136.59114	2.1
137.09604	4.0
143.08574	12.6
145.10204	16.1
145.50131	2.1
147.08038	9.7
147.11723	5.0
149.09621	8.8
149.13263	3.0
155.08566	8.8
157.10124	49.0
159.11705	10.8
161.09601	9.6
163.11169	5.2
169.10132	4.3
171.11652	13.1
173.13170	3.5
175.11177	9.7
181.10098	7.8
183.11713	14.0
185.09538	3.8
187.11043	3.1
189.12715	2.5
193.10153	9.2
195.11650	9.1
197.13135	4.0
199.11174	5.1
201.12759	3.9
207.11623	7.7
208.12418	2.4
209.13217	5.3
213.12764	3.8
215.09038	2.2
221.13210	8.6
235.14735	15.8
237.12732	4.2
241.15735	2.7
249.16406	13.7
250.17134	10.5
251.14325	11.6
251.17957	17.6
269.15369	4.9
269.19116	3.9
275.17871	2.6
278.16763	10.9
293.18988	100.0
311.20010	32.3
325.21619	35.6
326.23151	3.2
334.11066	3.9
343.22659	91.7
343.26627	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13308	2.1
55.01862	1.7
55.05521	4.7
58.06604	10.0
67.05521	10.7
69.03409	2.5
69.07072	9.8
70.72478	2.2
79.05493	9.9
81.07069	14.9
83.08625	12.1
86.06062	3.1
91.05477	2.8
93.07050	16.4
95.08598	10.4
97.06510	2.6
97.10160	28.1
100.07628	3.0
105.07007	3.1
105.32086	2.0
107.08614	31.6
109.10117	2.7
121.10143	30.4
124.11241	18.5
125.09620	39.0
131.08562	2.7
135.08052	23.4
138.12788	24.3
139.11180	35.9
142.12276	22.7
149.09644	2.4
151.07535	2.4
152.10695	11.1
153.09120	24.2
156.13864	23.5
157.12257	3.5
162.93619	2.5
166.12254	3.0
170.11760	93.9
171.10146	2.6
175.74074	2.2
184.13312	67.9
238.09413	3.7
265.08701	3.1
266.08884	15.4
266.53860	2.1
279.08795	2.6
283.07037	4.5
297.07034	5.2
297.11130	2.5
298.11728	16.0
303.12460	4.0
308.12653	2.6
314.10889	2.7
320.09213	18.0
321.09695	5.3
326.23285	73.0
334.10834	23.1
335.11401	3.3
336.12228	11.9
337.13077	8.4
343.12604	26.6
343.17303	25.6
343.25906	100.0
350.13693	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73864	3.8
52.48172	4.3
55.05517	36.2
55.91848	4.6
56.23566	4.2
57.03441	11.2
57.07075	34.7
58.06574	5.3
67.05510	65.8
69.07075	76.7
71.08609	22.3
71.80093	6.6
79.05499	23.1
80.11035	4.3
81.07069	96.4
83.08626	65.2
91.05459	5.5
93.07044	54.5
95.08603	87.7
97.06525	33.2
97.10152	47.2
99.44935	5.2
104.96063	5.2
107.08604	52.2
107.90661	5.6
109.10164	40.2
111.08075	11.5
111.11728	12.1
111.23979	5.2
120.46780	5.7
121.10150	98.8
123.11728	11.4
135.11720	70.9
149.13249	32.4
151.14885	6.3
163.14810	6.5
233.22594	72.3
251.23683	100.0
266.52490	5.4
269.24811	8.7
275.76233	5.5
298.11569	8.6
325.27316	44.1
343.11823	5.7
343.17630	7.6
343.28265	28.1
367.24924	5.2
369.68933	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52306	0.3
57.07069	2.7
58.06593	2.4
59.04918	0.4
67.05516	0.5
71.08620	1.9
75.41499	0.3
81.07049	1.6
83.08614	1.7
85.10157	2.2
88.49594	0.4
95.08614	2.7
97.10186	0.4
105.69640	0.4
109.10157	3.0
134.42139	0.4
151.58990	0.4
165.98976	0.4
183.17424	4.8
219.65868	0.4
228.60146	0.4
240.23212	100.0
266.08981	0.6
298.03714	0.4
298.11542	0.9
315.46713	0.4
343.10950	0.5
343.17334	2.5
343.29669	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64862	4.0
51.67411	4.4
56.62062	3.9
56.96569	6.4
57.07077	6.5
58.06607	5.0
59.08601	4.2
67.05507	9.2
69.07057	22.6
71.23032	4.8
81.03419	4.9
81.04510	4.9
81.07041	8.2
84.43569	5.2
93.07076	7.2
95.08610	20.3
97.10139	8.5
103.82816	4.7
109.10155	11.5
126.81552	4.6
130.14522	4.6
133.10094	7.6
134.67995	4.7
134.81181	4.5
149.04842	21.5
151.98645	5.5
176.08797	6.0
197.01254	6.6
202.71645	6.6
215.02203	4.8
245.22781	8.3
253.07426	68.3
263.23694	9.6
266.09036	7.5
271.08414	52.9
279.05292	8.9
280.26468	61.1
297.06403	75.1
298.11398	7.8
298.27399	9.4
302.24731	100.0
343.17365	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25201	1.0
116.81921	1.1
128.91348	1.4
129.61830	1.1
202.81992	1.1
298.58316	1.8
304.05792	1.3
316.05679	9.6
328.08920	4.5
344.05267	100.0
366.50626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53763	0.4
51.13720	0.4
51.83616	0.4
58.06594	2.2
63.61256	0.4
64.48290	0.3
65.80590	0.4
88.19881	0.4
125.36240	0.4
147.04424	1.8
153.11510	0.5
165.05450	0.9
178.08665	1.0
225.07773	1.0
239.09311	0.8
253.07298	5.8
254.08084	12.4
256.09702	6.8
257.06830	0.6
268.09671	1.9
270.07654	2.9
281.06784	2.8
282.07608	9.9
284.09122	4.5
285.09848	5.8
286.07135	2.7
298.07083	37.0
300.08661	31.3
300.12256	8.0
311.08017	0.5
312.08646	3.3
326.06454	3.7
328.07910	0.5
344.07608	100.0
344.11270	13.9
344.14673	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40202	0.4
57.76333	0.4
63.99409	0.4
65.06391	0.5
71.14417	0.4
81.34006	0.4
82.12149	0.4
83.97164	0.4
84.48006	0.5
92.77072	0.4
118.75274	0.4
121.49556	0.4
224.07027	1.0
227.87526	0.5
253.07330	6.0
254.08092	13.9
268.05936	0.5
270.07690	1.7
270.11383	0.5
281.06818	2.8
282.07581	9.4
286.07120	2.2
298.07101	37.8
300.08661	28.4
326.06686	3.7
344.07617	100.0
344.10568	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.1
55.01885	12.5
66.46825	0.4
69.03436	10.4
71.04996	2.6
81.02950	1.1
81.03427	34.2
83.01339	0.9
85.02894	0.7
93.76739	0.5
97.02893	15.9
99.04459	100.0
105.79694	0.6
108.12798	0.6
109.02882	21.9
127.03915	14.8
128.03432	2.4
217.39058	0.6
225.07645	2.0
231.73318	0.7
248.03929	0.6
344.09763	12.8
348.11600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51420	1.5
51.80798	1.5
58.32481	1.3
64.91599	1.5
72.05418	1.3
76.58418	1.4
77.16866	1.3
87.71698	1.3
89.05524	2.0
89.06046	34.0
116.07063	2.0
133.08603	14.7
147.04390	8.8
165.05586	1.8
182.09735	2.0
184.74841	1.9
190.08691	1.6
210.09160	1.9
225.07822	3.0
239.09413	30.5
240.10176	26.0
253.07336	6.3
266.08069	2.4
268.09720	23.5
270.07623	27.5
284.09286	12.2
292.78958	1.7
300.08728	2.3
312.08658	59.7
327.20111	29.7
344.07697	8.5
344.11276	100.0
344.14996	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61951	0.4
56.21639	0.3
58.06612	0.8
58.40383	0.3
66.06519	0.3
68.99732	0.3
70.06599	0.4
72.08170	0.5
92.21577	0.4
116.07071	1.5
122.70808	0.4
159.31274	0.3
178.08586	0.5
183.45796	0.3
188.07095	0.7
190.08728	0.4
212.07062	2.2
226.08676	0.7
227.09468	3.9
240.06549	1.5
240.10236	0.5
242.03737	0.4
249.05418	1.5
255.08815	1.4
256.06012	0.5
256.09607	1.7
257.10464	1.8
259.08429	4.5
265.35266	0.4
270.11288	1.8
283.08377	2.5
284.05521	3.5
284.08798	0.8
285.09958	31.9
297.06326	2.0
300.12296	19.7
302.97067	0.4
310.10760	0.4
311.07971	2.8
312.08728	2.5
314.10300	0.4
326.06613	0.7
326.10178	0.5
329.08978	13.4
344.11276	100.0
344.14786	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1129
Annotation	Toddaliopsin C
Peak:m/z	Relative Intensity
50.61951	0.4
56.21639	0.3
58.06612	0.8
58.40383	0.3
66.06519	0.3
68.99732	0.3
70.06599	0.4
72.08170	0.5
92.21577	0.4
116.07071	1.5
122.70808	0.4
159.31274	0.3
178.08586	0.5
183.45796	0.3
188.07095	0.7
190.08728	0.4
212.07062	2.2
226.08676	0.7
227.09468	3.9
240.06549	1.5
240.10236	0.5
242.03737	0.4
249.05418	1.5
255.08815	1.4
256.06012	0.5
256.09607	1.7
257.10464	1.8
259.08429	4.5
265.35266	0.4
270.11288	1.8
283.08377	2.5
284.05521	3.5
284.08798	0.8
285.09958	31.9
297.06326	2.0
300.12296	19.7
302.97067	0.4
310.10760	0.4
311.07971	2.8
312.08728	2.5
314.10300	0.4
326.06613	0.7
326.10178	0.5
329.08978	13.4
344.11276	100.0
344.14786	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50364	1.3
54.45110	1.0
57.03445	1.5
61.02915	1.1
69.03433	8.7
72.81496	1.1
72.89159	1.1
79.26649	1.3
85.02908	13.6
86.03222	2.0
87.03221	2.9
91.05505	1.4
95.23592	1.3
96.04505	1.6
97.02884	8.8
99.04467	2.6
107.04958	10.0
112.03962	2.5
119.04937	8.5
121.06515	2.2
123.04440	18.5
127.03931	8.8
128.04254	1.5
136.07573	29.3
137.06009	2.3
138.05519	2.4
143.05789	2.8
144.06577	8.1
146.06015	2.0
147.04405	11.8
148.07584	31.9
156.06528	2.2
159.07582	1.2
160.07556	5.2
161.06935	4.2
162.05511	1.5
163.06300	1.2
164.07062	8.2
165.05472	26.7
176.06993	1.6
178.08688	2.5
182.08185	11.7
194.08080	9.1
214.08704	5.0
231.86714	1.4
244.09453	1.3
260.09222	2.7
262.10898	2.4
280.11755	27.6
298.12851	2.7
303.85410	1.6
308.11279	28.7
320.16153	1.5
326.12332	100.0
344.13156	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
57.31050	0.7
58.06607	10.3
58.16856	0.6
61.02928	2.8
65.78999	0.5
69.03424	3.6
78.83330	0.6
81.03436	1.1
85.02431	1.3
85.02908	24.7
91.05489	0.9
97.02894	1.6
99.04439	0.9
119.04951	4.3
123.04415	1.1
127.03918	12.0
137.05977	3.0
143.04890	0.8
145.04958	6.9
147.04407	100.0
151.07574	0.6
165.05467	41.7
175.07539	1.4
180.08632	5.3
190.08643	0.8
248.76732	0.6
344.14328	7.7
344.18625	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12791	0.7
56.49805	0.8
58.06595	5.0
61.02930	0.9
61.75708	0.7
69.03444	1.4
69.80128	0.9
70.06601	1.5
71.25848	0.9
85.02909	16.3
86.09732	1.0
88.83587	1.0
91.05477	1.3
97.02880	3.5
99.04438	0.9
109.02898	1.2
116.07092	5.0
119.04896	3.3
123.04396	1.4
123.19305	0.8
127.03893	3.9
145.04948	1.9
147.04410	100.0
165.04068	1.6
165.05458	45.0
180.08687	1.7
182.08148	1.7
270.11124	1.1
336.41202	1.0
344.10526	1.5
344.14868	9.6
364.64822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38683	1.3
66.61480	1.2
69.03420	6.2
85.02903	3.3
96.04453	1.9
97.02875	12.9
99.04454	2.2
101.38773	1.3
107.04951	12.1
112.04021	2.2
119.04931	10.6
121.06474	2.0
123.04414	19.8
126.20710	1.5
127.03899	8.1
136.07579	28.3
136.08549	2.6
138.05511	3.1
143.05775	2.2
144.06558	7.4
146.06038	1.8
147.04422	14.3
148.07567	51.7
150.56827	1.2
156.06506	2.8
160.07558	5.8
161.06815	3.1
165.05460	33.2
172.07492	1.8
178.08585	3.3
182.08109	12.8
184.06018	2.7
187.07542	1.8
190.08565	1.6
194.08131	9.0
212.10399	2.1
214.08630	6.0
241.51793	1.5
248.83617	1.8
260.09167	2.8
262.10754	6.9
276.83023	1.6
280.11755	32.7
298.12918	1.9
303.00299	1.5
308.11240	21.3
326.08383	3.3
326.12305	100.0
344.13144	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1488
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
55.21201	0.9
64.06606	1.0
75.62280	0.9
79.17431	1.1
81.03361	1.0
91.05474	2.0
95.02976	1.0
117.03368	6.2
119.04938	1.4
133.74632	1.2
137.32726	1.3
145.02853	58.9
149.05966	1.7
149.28548	1.3
151.07549	11.1
159.84555	1.3
177.05463	100.0
280.55020	1.2
344.11386	2.0
344.15381	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
55.27587	1.0
70.06570	1.0
77.39991	0.9
85.02886	8.1
86.09685	1.2
91.05422	1.4
100.88210	1.1
116.07075	4.3
119.04919	2.5
123.04430	1.3
127.03887	2.3
135.04425	4.7
137.05960	2.5
145.04919	1.5
147.03305	2.1
147.04407	45.1
147.05600	1.5
151.07545	9.0
163.03853	1.6
165.05466	17.7
178.67838	1.1
180.08755	1.7
180.10208	4.7
185.32121	1.3
190.08615	26.6
191.09392	26.8
192.10231	5.5
195.07924	1.6
208.09709	6.7
249.09135	2.5
253.08696	2.3
263.07098	2.7
277.08585	6.8
285.11249	1.6
295.09537	4.4
308.66882	1.2
313.10754	2.1
326.13821	8.9
344.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
52.69226	0.8
58.06586	2.0
58.62284	0.8
59.03681	0.7
104.27309	0.9
116.26442	0.9
123.04397	1.2
133.23698	1.0
135.04417	5.6
137.05952	6.4
146.19978	0.9
150.24567	0.9
151.07538	10.3
159.73277	0.8
163.03891	1.0
168.98582	1.0
175.06233	0.9
176.07057	3.8
177.07883	1.0
180.10245	4.7
190.08611	30.3
190.10182	1.5
191.09406	27.4
192.10199	5.0
195.08063	1.7
208.09715	7.3
249.09108	1.8
253.08653	1.2
263.07098	1.9
277.08707	6.5
281.07986	1.1
285.11200	1.3
295.09561	1.9
326.13913	7.9
344.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1488
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
58.06345	1.1
58.06606	17.9
59.08257	0.8
74.48391	0.8
74.78854	0.8
92.20991	1.0
107.04946	1.3
135.04424	2.0
137.02330	1.1
137.05972	3.6
149.05934	2.0
151.07559	8.0
163.03868	1.0
165.09126	1.4
176.07002	3.9
177.05444	6.7
177.07813	4.3
178.08546	1.8
180.10094	3.5
190.08618	18.4
191.09383	19.3
192.10199	16.9
193.10489	6.6
194.10760	3.4
195.08002	0.9
207.08035	0.9
208.09708	4.6
209.73714	0.9
222.07527	1.1
235.07529	1.7
239.06918	1.3
241.08739	0.9
249.09097	1.6
253.08571	1.1
257.08145	0.9
263.07004	3.6
277.08444	1.8
295.09576	1.3
311.11380	3.6
326.13852	13.5
344.11578	4.4
344.14853	100.0
344.17856	4.6
346.95282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1488
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
69.03422	1.1
82.59676	1.1
85.02902	17.0
97.02898	2.0
102.36182	1.1
119.04965	5.1
123.04422	2.4
127.03893	2.1
137.06009	1.5
145.04996	2.3
147.04395	100.0
149.06013	7.5
151.07620	1.8
165.05463	46.9
176.07039	28.1
177.07872	13.1
178.08630	6.8
180.08679	2.6
194.08121	11.5
235.07646	5.0
238.72256	1.3
239.39946	1.3
263.07007	11.6
309.09824	1.4
311.11554	2.5
323.93359	1.2
323.98215	1.3
324.12442	1.4
326.13892	6.8
341.45297	1.3
344.14935	81.1
365.71811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1491
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
51.25891	0.3
62.04169	0.3
70.67799	0.3
109.06516	0.5
121.06506	0.8
123.04424	0.8
131.40654	0.4
137.05983	4.8
147.04393	1.4
149.05980	11.9
151.07510	4.4
161.05969	1.8
162.33745	0.3
164.07040	0.4
165.07858	0.8
166.08617	1.5
167.07057	1.7
169.95952	0.4
175.01816	0.3
175.03949	0.4
176.07059	37.4
177.05428	2.3
177.07835	15.2
178.08630	7.6
180.10123	0.4
190.08698	0.3
194.08118	15.8
195.08072	0.5
197.06088	0.4
207.07921	0.6
208.09718	0.8
213.09143	0.4
223.07645	0.6
235.07535	8.1
251.06973	2.0
253.08508	1.7
254.08231	0.6
257.07971	1.6
263.07022	16.1
265.08533	1.3
267.10028	0.5
280.13339	0.5
281.08160	0.6
282.07562	0.5
283.09634	1.4
284.09055	3.5
285.11002	0.7
295.09637	1.8
297.11154	0.6
298.07306	1.8
300.08575	1.6
300.12323	1.4
309.09833	0.5
310.10764	2.2
311.11551	4.1
313.10696	1.5
324.12274	0.5
326.13882	7.3
328.07959	0.4
329.12714	0.6
344.07675	5.4
344.11530	5.2
344.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
53.89744	0.6
58.01157	0.6
58.06603	1.3
61.59319	0.5
70.95335	0.7
72.08160	6.9
86.09721	9.0
86.64555	0.8
110.98780	0.7
118.68558	0.6
121.06475	0.7
134.54663	0.6
150.06726	1.5
151.07584	1.1
176.07095	3.2
178.08656	2.7
185.16521	3.3
191.09506	1.0
206.11739	0.8
213.16049	2.8
246.07277	0.7
253.20262	0.7
268.09717	1.4
273.67371	0.7
274.86658	0.7
280.09924	1.2
282.71552	0.7
283.12079	3.1
294.11249	13.8
296.09268	3.0
311.11505	11.0
312.12305	26.9
314.10281	13.4
326.13797	3.3
326.23581	1.5
328.11462	2.7
329.12540	17.9
344.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1489
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
58.06607	27.4
75.01553	0.9
93.69270	1.1
119.04909	1.0
135.04410	5.7
137.05974	12.2
139.05032	1.1
143.04921	3.8
146.29059	1.2
151.07584	11.3
163.03978	1.5
173.93556	1.1
175.07545	5.0
176.07082	1.4
180.10161	3.6
184.11281	0.9
190.08641	28.1
191.09404	26.9
192.10190	6.5
207.08052	1.8
208.09679	7.2
225.08923	1.1
229.01767	1.0
249.09138	1.7
253.08536	1.4
277.08600	7.3
285.11240	1.4
295.09598	1.8
299.12778	1.6
311.11401	1.7
326.13852	5.9
344.14877	100.0
344.18616	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
57.32972	1.0
61.02912	1.1
69.03432	2.2
74.83397	1.1
76.38082	1.1
85.02915	11.9
91.05495	1.8
92.20966	1.6
97.02911	1.6
119.04970	2.7
123.04443	1.7
124.10080	1.2
127.03887	2.7
135.04411	5.4
137.06046	1.4
147.04407	76.5
149.30443	1.1
151.07497	8.0
163.03917	1.4
165.05461	40.5
176.07117	1.7
190.08658	23.6
191.09361	20.0
192.10190	4.7
201.12425	1.2
208.09727	6.7
234.20566	1.3
249.09132	2.1
263.07001	1.7
277.08563	6.2
281.08374	1.3
285.11334	1.9
295.09601	1.8
313.10718	1.4
325.48239	1.3
326.13998	6.4
344.14914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
58.06595	2.1
69.14214	0.9
70.06601	5.3
74.87502	0.8
75.25319	1.1
86.09720	1.2
101.90493	1.1
116.07111	7.2
121.06489	2.3
123.04469	1.1
132.07104	0.9
134.27805	1.1
137.06027	3.6
149.05966	2.1
162.09155	2.2
163.04001	1.0
165.05450	6.5
176.07069	8.8
177.05518	1.3
177.07867	5.9
177.29277	1.1
178.08621	7.7
180.06544	2.3
182.08205	1.8
190.08659	1.1
192.10202	17.7
194.08119	22.2
201.12662	1.2
213.07764	1.2
241.08406	1.1
249.09160	1.3
264.48630	1.0
266.08093	5.4
267.09937	1.4
268.09601	1.5
277.08478	2.4
284.05563	4.5
294.07645	4.7
295.09500	4.6
298.14426	1.4
321.08612	1.1
326.06509	1.4
326.13992	21.4
332.93875	1.2
344.07706	10.2
344.11456	10.7
344.14957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89744	0.6
58.01157	0.6
58.06603	1.3
61.59319	0.5
70.95335	0.7
72.08160	6.9
86.09721	9.0
86.64555	0.8
110.98780	0.7
118.68558	0.6
121.06475	0.7
134.54663	0.6
150.06726	1.5
151.07584	1.1
176.07095	3.2
178.08656	2.7
185.16521	3.3
191.09506	1.0
206.11739	0.8
213.16049	2.8
246.07277	0.7
253.20262	0.7
268.09717	1.4
273.67371	0.7
274.86658	0.7
280.09924	1.2
282.71552	0.7
283.12079	3.1
294.11249	13.8
296.09268	3.0
311.11505	11.0
312.12305	26.9
314.10281	13.4
326.13797	3.3
326.23581	1.5
328.11462	2.7
329.12540	17.9
344.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1489
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
67.71375	0.5
69.03432	1.0
72.91570	0.6
73.45353	0.5
85.02901	4.9
90.30778	0.6
91.05496	0.8
95.04436	0.6
97.02900	1.1
108.92345	0.5
109.48837	0.6
111.46072	0.6
119.04972	1.3
123.04472	0.6
127.03926	0.7
135.04442	4.7
135.05301	0.5
137.06004	3.5
145.04970	0.7
147.04416	32.2
151.07533	8.5
163.03917	2.3
165.05481	12.6
176.07191	0.9
180.08765	0.6
180.10155	4.5
190.08630	29.8
191.09413	25.8
192.10225	7.6
199.38800	0.6
208.09674	7.7
223.07518	1.0
241.08603	1.0
249.09097	2.7
252.07846	0.6
253.08730	2.0
257.08099	1.0
263.06995	2.2
265.08316	0.6
277.08588	6.6
281.07993	0.6
285.11176	2.2
294.11084	0.8
295.09674	3.7
310.10806	0.9
311.11578	0.9
313.10641	1.2
326.13815	8.4
344.14932	100.0
363.18973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	O-Methylflavinine
Peak:m/z	Relative Intensity
58.06606	1.0
64.38638	0.4
70.06597	3.8
72.17566	0.4
72.86086	0.5
88.50549	0.4
103.05453	0.5
105.07048	1.0
116.07062	2.2
121.06461	0.9
123.04441	0.7
137.05983	3.0
148.07602	0.5
149.05960	4.4
151.07538	0.6
160.07568	0.6
161.06013	0.4
162.09113	2.5
165.05415	1.9
167.06970	0.9
176.07054	14.9
177.05461	1.1
177.07808	7.3
178.08583	4.8
192.06563	0.4
194.08125	25.3
208.09729	0.5
221.09558	0.5
231.07977	0.6
231.76631	0.5
237.09151	0.9
247.07550	0.5
249.09119	2.8
255.10197	0.9
259.07581	0.7
265.08505	1.1
266.08112	3.1
267.10202	2.6
277.08554	3.5
294.07657	0.9
295.09662	5.0
308.12863	2.8
326.13904	23.6
344.11646	4.1
344.14905	100.0
364.93668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34180	1.1
58.06609	61.3
59.06310	1.1
59.06940	14.3
66.65733	0.9
67.96744	1.0
70.53947	1.0
82.92831	1.0
84.79610	1.2
133.07710	1.0
137.06049	1.3
145.61052	1.2
188.07045	1.9
189.07700	5.1
190.08078	1.8
191.08469	4.7
193.10622	1.3
194.10721	1.2
202.05664	1.2
207.08397	1.3
208.08678	1.4
211.10284	1.3
221.08727	1.7
224.07526	1.8
224.24333	1.1
237.08662	1.9
238.09384	5.1
239.09824	6.5
249.08305	1.3
260.27924	1.1
265.08551	5.1
266.08881	10.4
267.09189	36.7
281.10739	1.3
283.09103	5.0
284.09485	13.6
297.17245	1.1
298.11548	4.9
299.11789	35.6
301.13449	4.4
344.13885	28.1
344.17651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1853
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
58.06610	75.3
63.17869	1.2
67.15858	1.3
70.06601	1.1
79.19675	0.9
85.02924	2.1
123.04456	1.6
135.04398	3.8
137.06000	28.9
143.04932	12.9
147.04411	33.1
151.07561	12.7
163.01830	1.1
165.05473	14.3
174.09254	1.2
175.07530	19.1
176.07135	1.2
180.10170	4.1
190.08643	24.3
191.09436	17.6
192.10210	6.6
193.11032	1.8
195.81441	1.2
207.08076	1.9
208.09685	6.5
235.07565	1.3
238.92723	1.2
239.10625	1.5
240.00179	1.1
240.10324	1.1
240.84489	1.3
249.09027	1.5
267.10153	4.4
277.08536	1.9
285.60779	1.0
295.09711	4.5
299.12723	6.9
308.22833	1.1
309.04507	1.1
312.08649	1.2
326.13867	6.3
344.11493	4.5
344.14850	60.0
344.18600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06325	0.6
58.06606	14.6
58.06887	0.7
59.06924	0.5
59.62629	0.3
71.29263	0.4
79.47701	0.3
91.33827	0.3
93.73000	0.4
97.53410	0.4
135.04414	3.6
136.04750	2.9
137.04936	1.7
137.06020	4.9
138.06314	0.7
142.03284	0.4
143.04955	2.4
149.05992	2.4
150.06422	2.3
151.06534	1.5
151.07588	1.5
164.04228	0.6
165.04504	0.6
175.07605	2.7
176.06935	0.8
177.83562	0.4
178.08656	1.7
179.08907	0.9
180.09105	0.5
188.07071	8.2
188.08461	0.5
189.07623	14.9
190.08025	13.3
191.08430	11.0
192.09103	0.7
194.08255	2.2
197.08809	0.4
206.08221	1.9
207.08429	3.9
208.08604	4.0
237.08192	0.4
239.09778	0.5
240.07214	0.4
247.07568	0.5
249.05798	0.4
249.08328	1.9
255.09332	0.9
265.07639	0.8
266.08981	1.4
267.09143	3.3
275.07095	0.5
277.07642	5.3
283.08731	1.5
284.09631	0.9
285.10315	0.8
295.08759	2.3
296.12537	0.6
298.11258	0.5
299.11914	2.6
310.09848	1.3
311.10675	0.6
312.09314	0.5
313.09937	1.6
324.11804	0.5
326.13040	7.6
329.09073	2.5
329.15268	0.4
344.14096	100.0
344.18359	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.7
72.03444	0.3
83.44808	0.4
86.09705	8.9
87.04491	0.5
92.21561	0.4
95.04898	0.4
95.24900	0.4
99.75882	0.4
104.44702	0.4
115.05431	0.9
115.77971	0.4
121.06513	0.7
132.10115	0.4
137.05971	2.6
143.04927	13.1
149.05975	0.9
149.25894	0.4
150.06673	0.7
150.90167	0.4
151.07538	21.8
160.05215	0.5
164.08319	3.0
165.09077	4.1
175.07535	13.8
177.07800	2.6
180.06555	1.7
189.09047	0.7
192.10188	100.0
199.18057	0.7
205.06488	0.9
212.10707	0.8
227.17522	2.2
230.11809	0.8
233.05865	2.0
237.09099	2.2
241.12093	0.4
253.12209	0.9
265.08572	12.7
269.08029	1.6
281.11792	1.7
282.08835	0.5
283.09698	0.9
284.10443	4.8
297.11209	7.8
300.12360	2.2
313.14417	2.1
314.10165	0.7
326.13760	2.1
326.23331	0.7
328.11679	2.4
329.08905	0.5
329.12476	2.2
344.11276	3.5
344.14822	19.2
344.18521	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1853
Annotation	Crassifoline methine
Peak:m/z	Relative Intensity
56.84185	0.9
58.06609	52.3
59.06945	4.2
99.92362	0.9
119.61388	0.8
128.18002	0.9
134.30705	1.0
135.04404	1.9
136.04741	1.6
137.05003	1.4
137.05966	14.0
143.04970	4.8
149.05977	2.3
150.06282	1.1
151.07571	3.8
171.44679	1.0
175.07565	8.7
178.08517	1.4
188.07013	6.3
189.07587	13.1
190.08070	13.5
191.08432	8.9
192.10237	1.2
194.10500	1.0
206.08133	1.5
207.08493	2.0
208.08725	4.5
239.09926	1.5
247.74445	1.0
249.08055	2.0
260.90280	1.3
266.09027	2.0
267.09177	12.5
276.07101	0.9
277.07565	3.9
284.09451	5.0
295.08643	4.0
298.11414	1.9
299.12131	10.2
301.13840	1.1
316.05673	1.9
326.12888	6.7
329.12497	1.2
344.05447	15.0
344.13950	100.0
344.18213	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06325	0.6
58.06606	14.6
58.06887	0.7
59.06924	0.5
59.62629	0.3
71.29263	0.4
79.47701	0.3
91.33827	0.3
93.73000	0.4
97.53410	0.4
135.04414	3.6
136.04750	2.9
137.04936	1.7
137.06020	4.9
138.06314	0.7
142.03284	0.4
143.04955	2.4
149.05992	2.4
150.06422	2.3
151.06534	1.5
151.07588	1.5
164.04228	0.6
165.04504	0.6
175.07605	2.7
176.06935	0.8
177.83562	0.4
178.08656	1.7
179.08907	0.9
180.09105	0.5
188.07071	8.2
188.08461	0.5
189.07623	14.9
190.08025	13.3
191.08430	11.0
192.09103	0.7
194.08255	2.2
197.08809	0.4
206.08221	1.9
207.08429	3.9
208.08604	4.0
237.08192	0.4
239.09778	0.5
240.07214	0.4
247.07568	0.5
249.05798	0.4
249.08328	1.9
255.09332	0.9
265.07639	0.8
266.08981	1.4
267.09143	3.3
275.07095	0.5
277.07642	5.3
283.08731	1.5
284.09631	0.9
285.10315	0.8
295.08759	2.3
296.12537	0.6
298.11258	0.5
299.11914	2.6
310.09848	1.3
311.10675	0.6
312.09314	0.5
313.09937	1.6
324.11804	0.5
326.13040	7.6
329.09073	2.5
329.15268	0.4
344.14096	100.0
344.18359	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06325	0.6
58.06606	14.6
58.06887	0.7
59.06924	0.5
59.62629	0.3
71.29263	0.4
79.47701	0.3
91.33827	0.3
93.73000	0.4
97.53410	0.4
135.04414	3.6
136.04750	2.9
137.04936	1.7
137.06020	4.9
138.06314	0.7
142.03284	0.4
143.04955	2.4
149.05992	2.4
150.06422	2.3
151.06534	1.5
151.07588	1.5
164.04228	0.6
165.04504	0.6
175.07605	2.7
176.06935	0.8
177.83562	0.4
178.08656	1.7
179.08907	0.9
180.09105	0.5
188.07071	8.2
188.08461	0.5
189.07623	14.9
190.08025	13.3
191.08430	11.0
192.09103	0.7
194.08255	2.2
197.08809	0.4
206.08221	1.9
207.08429	3.9
208.08604	4.0
237.08192	0.4
239.09778	0.5
240.07214	0.4
247.07568	0.5
249.05798	0.4
249.08328	1.9
255.09332	0.9
265.07639	0.8
266.08981	1.4
267.09143	3.3
275.07095	0.5
277.07642	5.3
283.08731	1.5
284.09631	0.9
285.10315	0.8
295.08759	2.3
296.12537	0.6
298.11258	0.5
299.11914	2.6
310.09848	1.3
311.10675	0.6
312.09314	0.5
313.09937	1.6
324.11804	0.5
326.13040	7.6
329.09073	2.5
329.15268	0.4
344.14096	100.0
344.18359	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1853
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
56.05054	0.6
58.06606	78.3
64.10389	0.5
65.86039	0.5
67.66257	0.5
80.67082	0.5
85.02942	0.9
86.09714	1.2
89.06031	26.7
91.05471	0.8
116.07089	4.1
119.04947	1.1
123.04428	4.2
133.08606	10.0
135.04440	1.3
137.05981	26.1
143.04932	12.3
145.06447	0.6
147.04399	7.7
149.06015	1.3
151.07526	10.2
152.07092	1.1
163.07446	0.8
165.05472	3.0
175.07550	18.0
176.07169	0.7
177.09114	2.6
177.11229	3.1
178.05075	0.8
180.08632	0.5
180.10161	1.3
189.09106	2.7
190.08588	9.4
191.09419	7.1
192.10208	3.7
193.10994	2.3
207.08134	0.7
208.09644	2.4
235.07506	1.2
239.09125	4.2
240.10152	3.9
241.12170	1.1
249.09203	0.8
267.10123	2.5
268.09515	5.5
269.11725	1.0
270.07584	3.8
277.08444	1.0
284.09036	2.1
284.37634	0.6
295.09402	0.8
299.12790	7.4
300.12234	0.9
301.14316	2.3
311.11380	1.1
312.08643	10.8
326.10104	0.7
326.13770	3.5
327.20087	24.3
328.11642	3.9
329.12509	3.4
334.05490	0.6
344.11276	17.6
344.14832	40.5
344.18561	100.0
365.37207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84185	0.9
58.06609	52.3
59.06945	4.2
99.92362	0.9
119.61388	0.8
128.18002	0.9
134.30705	1.0
135.04404	1.9
136.04741	1.6
137.05003	1.4
137.05966	14.0
143.04970	4.8
149.05977	2.3
150.06282	1.1
151.07571	3.8
171.44679	1.0
175.07565	8.7
178.08517	1.4
188.07013	6.3
189.07587	13.1
190.08070	13.5
191.08432	8.9
192.10237	1.2
194.10500	1.0
206.08133	1.5
207.08493	2.0
208.08725	4.5
239.09926	1.5
247.74445	1.0
249.08055	2.0
260.90280	1.3
266.09027	2.0
267.09177	12.5
276.07101	0.9
277.07565	3.9
284.09451	5.0
295.08643	4.0
298.11414	1.9
299.12131	10.2
301.13840	1.1
316.05673	1.9
326.12888	6.7
329.12497	1.2
344.05447	15.0
344.13950	100.0
344.18213	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1854
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
58.06600	1.7
72.03444	0.3
83.44808	0.4
86.09705	8.9
87.04491	0.5
92.21561	0.4
95.04898	0.4
95.24900	0.4
99.75882	0.4
104.44702	0.4
115.05431	0.9
115.77971	0.4
121.06513	0.7
132.10115	0.4
137.05971	2.6
143.04927	13.1
149.05975	0.9
149.25894	0.4
150.06673	0.7
150.90167	0.4
151.07538	21.8
160.05215	0.5
164.08319	3.0
165.09077	4.1
175.07535	13.8
177.07800	2.6
180.06555	1.7
189.09047	0.7
192.10188	100.0
199.18057	0.7
205.06488	0.9
212.10707	0.8
227.17522	2.2
230.11809	0.8
233.05865	2.0
237.09099	2.2
241.12093	0.4
253.12209	0.9
265.08572	12.7
269.08029	1.6
281.11792	1.7
282.08835	0.5
283.09698	0.9
284.10443	4.8
297.11209	7.8
300.12360	2.2
313.14417	2.1
314.10165	0.7
326.13760	2.1
326.23331	0.7
328.11679	2.4
329.08905	0.5
329.12476	2.2
344.11276	3.5
344.14822	19.2
344.18521	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.6
58.06606	78.3
64.10389	0.5
65.86039	0.5
67.66257	0.5
80.67082	0.5
85.02942	0.9
86.09714	1.2
89.06031	26.7
91.05471	0.8
116.07089	4.1
119.04947	1.1
123.04428	4.2
133.08606	10.0
135.04440	1.3
137.05981	26.1
143.04932	12.3
145.06447	0.6
147.04399	7.7
149.06015	1.3
151.07526	10.2
152.07092	1.1
163.07446	0.8
165.05472	3.0
175.07550	18.0
176.07169	0.7
177.09114	2.6
177.11229	3.1
178.05075	0.8
180.08632	0.5
180.10161	1.3
189.09106	2.7
190.08588	9.4
191.09419	7.1
192.10208	3.7
193.10994	2.3
207.08134	0.7
208.09644	2.4
235.07506	1.2
239.09125	4.2
240.10152	3.9
241.12170	1.1
249.09203	0.8
267.10123	2.5
268.09515	5.5
269.11725	1.0
270.07584	3.8
277.08444	1.0
284.09036	2.1
284.37634	0.6
295.09402	0.8
299.12790	7.4
300.12234	0.9
301.14316	2.3
311.11380	1.1
312.08643	10.8
326.10104	0.7
326.13770	3.5
327.20087	24.3
328.11642	3.9
329.12509	3.4
334.05490	0.6
344.11276	17.6
344.14832	40.5
344.18561	100.0
365.37207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1855
Annotation	Intebrimine
Peak:m/z	Relative Intensity
50.07273	0.3
50.33444	0.4
53.03962	0.4
53.93154	0.4
59.04113	0.4
65.30565	0.4
66.57811	0.4
67.65077	0.4
91.05479	2.8
92.20983	0.5
93.07036	8.1
95.04961	1.1
95.08607	0.9
102.31503	0.5
103.05466	3.5
104.92314	0.4
105.07009	0.5
108.04457	0.6
110.02408	0.6
114.88113	0.4
116.81338	0.5
121.06503	100.0
178.12378	0.5
188.10677	1.7
206.11754	2.8
224.12819	0.8
254.83499	0.5
298.17969	0.6
326.06497	4.0
326.17596	2.7
336.12234	0.6
344.18573	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
55.05512	11.8
67.05497	6.0
69.07076	16.9
78.36187	2.3
79.05489	5.5
81.03410	3.0
81.07059	16.3
83.04980	2.5
83.08619	44.3
86.09715	3.7
90.39482	2.7
91.05460	3.9
93.07051	11.0
95.08597	11.5
97.06542	3.6
105.07041	3.1
107.08582	3.6
109.10165	4.5
110.09686	5.8
111.08075	44.5
121.06538	5.2
123.11712	2.9
128.10724	32.6
131.14462	2.3
133.10054	2.8
138.09131	19.3
139.07547	57.2
151.11185	3.4
156.10197	100.0
157.08606	12.0
174.11272	50.1
231.82730	3.5
253.60829	2.9
258.97244	3.0
262.13159	2.6
280.26315	4.3
308.26093	3.9
344.18918	4.9
344.22763	4.3
344.26685	5.7
344.31485	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10152	4.5
51.11320	4.6
54.32648	5.5
55.01869	4.9
55.05512	41.8
63.66163	6.1
65.94947	5.9
67.05510	75.0
69.07062	34.4
71.04978	5.7
71.09130	5.2
72.32875	5.5
73.07720	5.8
79.05506	58.0
81.03423	30.5
81.07057	100.0
83.04999	13.8
83.08628	23.4
91.05479	58.6
92.19489	6.2
92.21567	11.3
93.07042	62.4
95.04973	24.7
95.08611	67.8
97.06535	28.0
97.10179	24.1
105.07027	46.5
107.04951	10.4
107.08583	43.7
109.06500	6.8
109.10167	36.1
111.08083	12.6
119.08598	42.9
119.48135	5.6
121.06502	10.1
121.10141	35.6
123.08093	12.3
123.11722	23.7
129.06989	6.6
131.08559	30.7
133.10101	29.0
135.08127	8.4
135.11610	7.5
137.09563	7.6
145.10129	13.2
146.10422	10.9
147.11697	46.6
159.11696	12.1
165.12769	8.4
171.11656	8.9
173.13319	6.7
174.43381	6.0
242.50726	6.0
252.18431	7.7
275.20029	87.1
291.19629	6.7
293.21106	8.5
309.20477	8.3
318.37149	7.0
321.13870	8.8
344.22980	72.4
348.20877	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.7
57.03440	23.8
60.29710	4.4
65.90916	4.3
67.05508	43.5
67.54162	4.4
69.07065	32.2
71.04996	9.0
73.23138	4.3
77.18483	4.2
78.66076	3.8
79.05493	59.8
81.03408	26.8
81.07062	100.0
83.04999	34.4
83.08614	23.9
85.06593	4.1
88.89127	4.6
91.05448	34.2
93.07034	46.3
94.85960	4.6
95.04987	22.0
95.08600	48.2
97.06525	29.6
97.10174	19.6
99.08096	5.2
99.31791	4.7
102.69972	4.2
105.06997	32.3
107.04918	7.2
107.08578	46.0
109.06512	48.8
109.10168	22.1
111.08085	10.0
113.06001	4.7
117.07021	19.0
119.03152	4.9
119.08573	29.4
121.06483	25.3
121.10113	47.3
123.08045	23.3
125.09631	8.4
129.07019	6.3
131.08546	25.0
133.06400	4.7
133.10136	20.1
135.08052	8.3
135.11725	6.3
137.09590	8.3
139.11192	5.5
145.10127	10.6
147.11729	23.7
149.09592	20.8
157.10143	10.8
162.96846	4.7
167.10602	6.0
173.11684	7.9
175.11165	8.0
183.68082	5.6
185.11816	6.1
187.14943	5.0
189.11244	10.8
193.12242	26.9
211.13269	37.7
223.18642	5.6
269.17389	4.9
273.18518	18.6
291.19339	32.8
309.20554	27.0
337.33331	4.7
344.22299	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05514	3.7
57.07077	1.3
67.05505	5.7
69.07066	7.4
71.05003	1.5
71.21644	0.8
76.98795	0.9
77.44784	0.8
79.05502	6.6
81.07071	7.1
83.08620	9.4
84.93096	1.0
85.06523	1.3
85.10196	1.3
86.06023	1.2
89.90927	0.8
93.07024	4.9
95.08620	1.6
97.10176	18.4
100.07596	1.2
100.11240	1.1
107.08595	19.1
109.10172	4.0
115.32758	0.9
118.01330	0.8
121.10115	1.5
124.11259	9.9
125.09627	22.0
133.10139	1.6
135.08041	13.4
135.11708	1.0
137.09665	1.0
139.11182	5.2
142.12280	11.1
152.10690	5.6
153.09093	11.6
169.12250	1.5
170.11751	100.0
171.10112	1.4
186.14882	13.5
187.13307	9.1
188.12804	8.2
198.14932	7.3
206.68607	1.1
212.16577	1.4
232.15448	3.9
329.06543	9.4
344.04767	0.9
344.08813	4.3
344.14716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05518	5.4
57.07083	1.4
59.49556	0.8
67.05498	1.6
69.07068	14.1
78.37596	0.9
79.05488	1.5
81.07065	2.2
83.08628	30.1
86.09699	4.0
93.07030	7.3
93.09770	1.1
95.08601	6.6
97.06532	1.9
107.08562	1.0
110.09692	8.5
111.08081	32.1
121.06487	4.1
123.08121	1.5
128.10713	29.4
138.09152	14.4
139.07553	56.1
153.12753	4.4
156.10199	100.0
157.08569	7.1
174.11246	45.4
190.05003	4.2
198.21225	1.2
215.35429	1.3
227.12888	1.4
344.11591	1.9
344.19342	1.4
344.24307	1.9
345.04123	1.1
369.97757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.1
59.85489	1.4
63.30550	1.5
63.38470	1.4
67.05517	3.0
68.33473	1.5
69.07071	8.2
71.04980	4.1
79.05482	3.9
81.07051	11.3
83.08611	7.1
83.64042	1.8
83.74882	1.5
85.06562	1.8
86.06063	1.8
93.07040	8.5
95.08595	7.0
97.06532	4.1
100.07599	2.6
101.85719	1.7
102.30188	1.5
107.08598	9.5
109.10145	3.1
111.08076	7.2
111.11673	2.8
114.09179	1.8
116.50972	1.8
119.08582	2.0
121.10178	2.9
133.10176	1.7
135.11711	22.0
149.13348	1.9
152.14345	20.8
153.12752	12.6
163.11205	2.1
170.15349	8.8
192.62302	1.9
198.14882	100.0
199.13257	2.1
212.16461	3.1
216.15891	2.5
240.19635	3.1
344.11642	2.6
344.24332	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21471	4.0
55.01865	4.0
55.05506	20.3
55.24805	3.9
57.03441	5.0
57.07073	4.7
59.39075	3.8
67.05505	80.7
69.07061	25.7
71.04982	5.2
79.05493	21.7
81.03409	5.2
81.07061	71.1
82.49973	4.3
83.04987	10.8
83.08613	31.3
88.07635	4.5
91.05473	19.2
93.07029	53.3
95.04963	10.5
95.08624	34.3
97.06499	4.9
97.10173	10.4
105.07027	19.0
105.28558	5.1
107.08569	24.3
109.10143	100.0
117.07067	4.9
117.73675	4.7
119.08587	21.0
119.19946	4.5
120.08033	4.4
121.10143	10.3
123.11729	5.3
131.08701	5.1
133.10185	5.1
135.11646	11.1
137.09641	7.3
139.11156	7.7
147.11708	6.4
155.10602	7.7
161.13124	5.5
165.12904	4.9
171.13855	6.3
173.11711	56.7
173.12878	3.8
175.11043	5.9
187.13281	34.8
200.20201	6.4
203.12790	8.0
227.16620	4.7
229.30133	4.4
262.03488	5.0
268.76337	4.8
277.21564	29.5
291.23175	6.1
309.24219	23.3
329.06604	20.6
344.25626	9.9
344.31628	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93650	2.6
55.01885	3.7
55.05523	34.6
57.03451	3.1
57.07079	11.6
60.04532	3.5
67.05181	4.9
67.05511	100.0
69.03442	3.4
69.07069	40.0
71.04984	4.2
71.08643	24.4
79.05494	47.0
81.03448	5.1
81.06610	5.1
81.07062	87.6
83.04989	11.6
83.08627	33.4
85.06547	5.2
85.25208	2.9
86.13776	2.8
90.24193	3.1
91.05471	28.2
93.07036	76.9
95.04974	13.0
95.08607	48.2
97.06543	13.2
97.10185	27.6
99.08089	14.5
105.07042	23.5
106.05052	14.6
107.08595	50.1
109.06522	5.7
109.10157	84.0
111.08083	6.0
117.06998	5.7
119.08553	35.1
121.06450	2.9
121.10130	28.0
123.08092	3.1
123.11715	6.3
125.09602	14.4
128.77023	2.7
129.07036	3.6
131.08585	5.0
133.10152	27.2
135.08012	3.7
135.11690	20.8
137.09604	7.2
139.11188	22.3
145.10114	4.8
147.11703	20.4
149.13301	21.0
150.78244	3.0
151.11147	4.5
153.09056	3.6
155.10670	21.7
161.13223	18.6
162.15860	3.2
162.97527	3.3
163.14786	6.1
165.12781	3.8
168.42676	3.0
171.11694	3.5
173.11700	57.3
173.13162	5.3
175.11145	3.6
175.14830	5.1
179.14281	4.3
187.13332	39.8
193.12418	3.1
195.13846	15.0
203.12827	14.9
225.14902	4.8
227.16382	3.6
241.19427	3.5
259.20627	11.6
265.21857	3.0
277.21609	77.3
291.23163	32.6
302.32458	3.0
309.24182	30.2
312.19699	3.2
329.06577	18.1
344.14694	4.2
344.31616	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91861	2.3
55.05507	16.2
60.04524	4.5
67.05503	19.7
69.03442	4.4
69.07064	11.7
71.08630	48.2
77.23221	2.6
79.05492	17.8
81.07075	21.9
83.05002	4.4
83.08624	31.7
91.05505	4.8
93.07046	24.8
95.08612	7.2
96.46572	3.1
97.10167	100.0
99.08083	37.0
105.07004	3.1
107.08599	38.7
109.06513	3.1
109.10168	12.1
111.07990	3.7
119.08598	5.7
121.10114	4.7
125.09623	99.8
125.10552	3.4
133.10115	5.5
135.08064	13.0
135.11705	6.8
145.10118	3.6
151.11168	16.2
153.09108	17.1
163.11143	4.5
171.10153	5.6
196.00133	2.9
203.12788	92.8
225.18434	4.7
242.36061	3.5
259.20612	5.3
277.21652	43.3
291.23178	19.3
302.70932	3.2
309.24213	76.4
325.11932	2.9
326.26871	6.2
344.15085	3.2
344.26450	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
55.05517	8.3
56.67686	3.1
57.07076	8.3
58.06608	3.6
58.94158	3.4
60.04530	64.3
66.59079	3.8
67.05504	36.2
69.07063	31.1
71.08630	5.5
72.32523	3.3
73.14931	4.4
79.05485	22.3
79.78753	3.4
80.05062	3.8
81.03446	5.6
81.07072	39.8
83.08609	21.1
83.24139	3.2
91.05476	27.2
93.07034	30.9
94.06577	4.7
95.04930	5.7
95.08607	35.9
97.06535	7.4
97.10176	16.2
98.06066	5.4
105.07021	19.0
107.08588	9.6
109.10143	23.0
119.08582	23.9
121.10134	26.8
123.08041	4.0
131.08676	4.7
133.10133	9.5
135.11687	14.6
136.12123	4.4
147.11830	4.3
149.13245	8.9
161.13197	3.9
164.19116	3.9
191.72278	4.4
212.33768	3.7
234.22923	5.8
235.55344	4.3
245.22609	17.4
252.23946	8.9
262.25146	7.1
263.23663	22.9
280.26236	32.2
298.27451	18.4
308.25891	23.7
316.28656	4.4
326.26886	100.0
329.06564	7.8
344.27930	27.2
344.31607	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.0
56.53479	1.0
56.67005	0.9
57.03423	0.9
57.07072	2.4
62.15725	0.9
67.05513	12.4
68.24698	1.1
69.07066	8.0
70.06591	1.3
70.37605	1.1
72.08159	1.7
74.06080	1.3
79.05502	2.4
81.07062	17.4
82.96236	1.4
83.08623	5.4
85.10194	1.6
86.09702	18.4
88.07640	8.0
88.46359	1.1
91.05500	1.6
91.45779	1.0
92.07111	2.4
93.07043	5.8
95.08597	21.5
97.06579	1.2
97.10155	1.7
102.82504	1.1
106.08672	10.9
107.08592	4.4
109.10156	11.2
119.08561	1.5
121.10131	4.6
123.11703	4.5
133.10112	4.0
135.11688	5.8
147.11650	1.9
149.13251	1.2
161.13275	1.9
182.15436	6.3
217.19527	4.2
224.23741	1.5
235.20631	6.9
252.23215	49.4
270.24203	2.2
274.20572	1.1
274.96097	1.1
279.91605	1.2
309.24640	1.2
326.27026	2.4
326.30530	1.5
329.06613	1.5
342.88214	1.0
344.27960	100.0
344.31494	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
51.82733	1.0
56.45416	1.2
57.07083	10.9
59.70193	1.0
60.04533	50.5
61.16236	1.2
61.76481	1.2
67.05520	5.0
67.42086	1.0
69.07067	2.4
69.40166	1.2
71.08628	10.3
79.09199	1.2
81.07071	6.5
83.08641	2.9
85.10196	2.7
87.04497	5.6
88.03988	16.3
88.04438	1.2
95.08621	7.2
97.10183	2.0
97.99385	1.1
106.05032	100.0
109.10191	2.1
109.28708	1.3
119.01456	1.1
123.11787	1.5
329.06592	5.6
330.83041	1.3
342.56302	1.4
344.08246	1.5
344.27783	13.1
344.31659	8.5
368.32587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	43.0
57.07077	56.2
67.05505	40.8
69.07085	100.0
69.30223	6.8
71.08637	17.2
76.48645	6.6
81.07065	88.5
83.08615	95.5
85.06568	7.7
88.85502	9.4
91.05447	9.6
93.43707	7.0
95.08623	90.9
97.06557	8.6
97.10168	66.9
106.71110	7.5
107.08582	9.9
109.09488	7.1
109.10126	60.0
111.11719	37.7
114.09151	13.5
114.83661	6.7
117.52766	6.7
119.08620	12.0
121.10129	17.9
123.11700	30.8
129.84111	7.6
133.10162	12.7
135.11694	16.8
147.11653	11.4
182.36496	7.1
187.03325	7.6
203.89865	8.1
229.95064	8.0
273.25906	12.1
280.15939	12.1
291.26755	39.8
297.11133	8.9
298.16861	9.5
308.29422	55.1
309.27673	11.0
326.30566	89.2
327.28854	42.2
344.31757	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.07099	5.7
60.44938	1.4
60.76646	1.5
64.54876	1.3
67.05504	2.6
69.07070	2.5
70.06603	15.3
71.08626	2.8
71.33436	1.5
79.82164	1.5
81.07065	5.7
83.08575	1.7
85.10194	2.6
87.04470	9.5
87.77646	1.3
88.07632	55.2
95.08578	3.5
97.10150	2.1
106.08672	100.0
109.10198	2.1
136.07716	1.5
163.44916	1.5
218.65877	1.6
252.23227	2.8
283.26331	14.0
284.29373	5.7
311.19055	2.5
323.74103	3.7
324.24106	1.9
326.30487	2.7
344.27887	10.0
344.31567	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3158
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
52.09636	3.3
52.76956	3.3
53.03905	3.4
55.05519	22.4
57.07085	15.9
67.05508	22.1
69.07081	45.5
71.08625	14.4
79.05495	5.3
80.46262	3.4
81.07056	39.4
82.98311	3.5
83.08613	34.3
85.10175	7.2
91.05485	4.1
93.07056	4.9
95.08601	39.1
97.06559	4.0
97.10173	23.7
105.07065	6.9
107.08616	5.1
109.10180	24.6
111.04446	7.9
121.10147	16.0
123.11710	6.5
125.09614	4.6
133.10121	13.7
135.11659	3.9
137.05989	100.0
137.06950	6.9
147.11690	14.0
161.09682	3.4
175.11021	5.1
231.17500	6.1
271.78140	3.7
277.18039	66.0
280.15897	5.5
291.26788	16.9
294.02502	4.5
295.19397	11.9
308.29407	26.1
309.20551	16.4
309.27673	4.0
314.21716	7.5
326.30548	40.3
327.28900	18.2
329.06583	15.2
344.22903	8.7
362.12256	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65434	5.4
53.86787	4.5
54.19425	4.8
55.05514	27.1
57.07082	51.6
58.40605	5.6
61.94618	5.1
65.47733	4.8
67.05508	30.2
69.07067	86.6
71.08642	69.3
79.05488	7.2
81.07059	80.0
83.04998	6.5
83.08624	81.1
85.06551	7.2
85.10173	14.7
92.21230	6.0
93.07037	12.8
95.08627	61.7
96.52634	5.6
97.10170	75.5
99.83286	6.2
100.46201	6.7
104.23251	5.4
109.10167	48.5
111.11717	12.6
118.59454	5.6
119.08570	7.8
121.10137	11.6
123.08086	5.9
123.11720	28.7
133.10100	26.2
137.09683	8.5
156.37491	6.3
205.34410	6.4
234.26775	6.6
273.25800	10.2
291.26767	27.8
308.29291	26.1
309.27805	13.4
326.30563	100.0
327.28940	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	37.0
57.06871	2.3
57.07088	45.4
67.05515	41.5
69.07077	72.0
71.08645	27.1
79.05490	4.6
81.07067	70.4
83.08630	79.0
85.06545	5.3
85.10182	3.2
86.06077	2.7
91.05482	5.5
93.07037	16.7
95.08611	58.8
97.06535	5.9
97.10175	59.2
100.07625	3.3
105.07055	3.6
107.08592	13.1
109.10165	43.1
111.08084	5.7
111.11748	19.4
114.09245	2.7
119.08583	9.4
119.69727	2.6
121.10173	21.8
123.08062	4.3
123.10891	2.5
123.11689	19.0
125.09580	4.2
125.13305	3.5
133.10146	17.7
135.11681	11.2
137.13257	10.9
139.11176	2.8
141.12750	5.4
147.11682	12.6
151.11177	3.9
161.13249	13.7
163.14737	3.2
174.68025	2.6
175.14771	10.6
179.14229	3.6
193.16006	3.3
197.36853	2.6
198.18475	3.7
214.18073	4.8
229.89220	2.5
273.25793	6.0
287.04245	10.7
291.26794	36.1
300.05173	3.8
308.29504	60.8
309.27805	13.7
326.30557	100.0
327.29065	30.9
329.06467	4.2
344.11505	33.0
344.31680	5.2
358.39990	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07544	0.7
106.21078	0.8
113.82931	0.8
124.80696	0.8
147.10347	1.6
189.86261	0.9
285.26962	1.6
318.23434	0.9
344.33075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
54.55960	0.5
55.49432	0.5
58.06605	1.3
69.07010	0.6
70.06575	1.0
72.08167	0.8
81.07037	0.7
86.09702	0.9
99.04473	0.9
100.47884	0.6
110.68939	0.8
112.05087	2.7
121.06504	1.4
130.05016	0.7
136.07576	6.9
136.23938	0.6
137.05988	0.9
157.69391	0.6
161.80698	0.8
183.06633	0.9
183.11360	1.0
345.11520	100.0
345.14984	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
52.12117	1.0
65.58751	1.1
66.10606	1.0
69.03439	1.9
75.29910	1.0
76.01852	1.1
81.03429	1.4
93.06984	1.5
99.04441	6.5
103.05447	3.0
131.04919	30.7
137.05983	2.7
159.04359	4.8
159.14095	1.1
161.06003	1.3
165.07080	1.3
167.07031	2.5
167.08496	1.4
172.09088	1.2
173.05992	1.8
176.04710	5.8
182.07309	1.8
191.07053	33.7
193.06602	2.1
195.07953	2.1
197.09564	4.4
205.06664	1.9
207.08080	5.5
210.06772	7.9
221.06029	5.3
222.06804	1.8
223.07610	6.8
224.08365	2.7
225.09081	15.4
227.07054	2.2
235.07579	5.0
237.05460	1.9
238.06219	5.1
250.06421	1.5
251.06981	1.5
252.07834	2.0
253.08577	12.7
254.09447	6.3
255.06493	2.1
257.11682	1.5
267.07324	1.4
267.10150	14.6
269.08179	2.6
270.08792	12.4
281.08075	4.7
282.08920	1.3
283.09750	2.8
284.10422	8.1
285.11224	20.4
287.28531	1.3
295.09601	14.4
298.08371	2.6
299.09180	16.7
311.20038	1.3
313.10703	71.1
314.11505	13.3
315.08740	2.5
330.11026	2.1
345.09851	5.0
345.13345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
56.08902	1.1
57.77295	1.3
58.55712	1.0
59.32409	1.4
63.20534	1.1
65.85571	1.1
70.82375	1.2
83.27604	1.3
99.04465	1.5
103.05485	5.5
107.04976	4.7
116.07089	7.8
118.04177	2.5
126.36382	1.4
131.04927	33.7
145.12711	1.5
153.05621	1.5
159.04410	3.2
165.07072	2.0
166.67268	1.4
167.07065	2.5
173.06006	2.3
176.04665	9.1
177.06927	1.7
179.08562	2.5
182.07310	2.4
191.05330	1.9
191.07019	56.4
195.08177	2.2
197.09625	2.6
207.08081	5.3
210.06766	7.0
219.00281	1.3
221.05991	5.9
222.06627	2.0
223.07545	7.0
224.08311	2.2
225.09117	9.6
227.06946	3.1
233.23779	1.5
235.07489	2.4
237.05560	1.4
238.06261	5.6
239.07080	5.4
241.08522	1.7
252.07799	3.2
253.08559	16.4
254.09338	2.7
255.06625	2.9
263.06931	1.9
266.05829	2.1
267.07217	1.8
267.10187	15.3
269.08029	3.1
270.08881	10.6
280.07370	2.0
281.08151	6.5
282.08939	2.1
283.05914	2.0
283.09644	2.2
284.10492	7.5
285.11218	24.5
295.09604	14.3
297.07501	1.5
298.08316	6.6
299.09158	22.6
303.12741	1.6
313.10712	62.5
314.11505	13.7
315.08694	5.2
330.11002	1.7
345.13351	100.0
346.93030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1341
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
50.14687	0.5
53.88772	0.5
57.75134	0.6
61.20186	0.7
63.70510	0.6
66.49762	0.6
85.04053	0.6
86.85722	0.6
96.94250	0.6
103.05471	7.3
105.20805	0.7
107.04961	4.6
114.09078	0.7
117.06976	0.7
118.04166	3.9
130.04117	1.5
131.04938	35.8
145.06473	1.3
148.05183	1.5
153.05493	1.4
159.04436	4.9
165.07019	2.7
166.07631	0.8
167.07053	2.5
167.08475	0.7
173.05998	3.2
176.04697	7.6
179.08557	3.5
181.06491	1.5
182.07268	2.9
189.07031	0.8
191.07031	57.9
193.06537	2.6
194.07275	0.9
195.08069	3.9
197.06104	0.8
197.09628	3.6
207.08023	4.4
210.06734	9.5
211.07622	1.3
221.05952	5.9
222.06804	2.8
223.07481	5.1
224.08301	4.3
225.09108	14.3
227.07039	3.5
235.07547	4.4
237.05373	1.3
238.06204	6.4
239.07047	3.7
241.08655	1.1
242.09344	1.2
251.07069	2.6
251.58374	0.8
252.07780	4.8
253.08606	13.4
254.09404	3.6
255.06541	3.9
255.10233	1.5
266.05759	2.7
267.06512	4.0
267.10162	15.2
269.08090	3.9
270.08835	13.0
271.09735	1.2
280.07440	1.0
281.08154	6.1
282.08890	1.5
283.06250	1.3
283.09656	4.2
284.10425	7.5
285.11240	21.9
295.09619	15.8
298.08435	5.4
299.09131	15.9
301.10709	0.8
313.10684	69.2
314.11502	12.8
315.08624	4.8
330.10843	2.6
345.13315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
54.34449	1.0
61.37849	1.4
71.35975	1.0
76.66829	1.0
85.85352	1.2
91.76555	1.1
103.05457	6.9
107.04954	6.8
118.04137	2.4
131.04922	37.8
141.43451	1.3
147.18300	1.3
148.05190	1.4
159.04424	5.3
163.07478	1.2
165.06976	1.5
173.05965	4.5
176.03278	1.5
176.04669	10.8
177.06847	1.7
177.08302	1.3
179.08530	2.5
182.07310	1.7
188.25656	1.1
191.07019	53.8
193.06447	1.5
195.08058	1.8
197.09633	5.3
207.08089	2.1
210.06790	7.7
219.72012	1.2
221.05899	2.5
222.06702	1.8
223.07565	4.6
224.08331	2.3
225.09129	12.2
227.07127	2.3
235.07556	2.4
237.05754	1.4
238.06287	6.5
241.08675	1.5
249.05397	1.6
251.07083	1.7
252.07755	4.8
253.08560	15.8
254.09436	6.0
255.06540	2.2
267.06616	2.1
267.10153	17.4
269.08060	4.9
270.08844	14.6
280.07236	1.5
281.08112	6.3
282.08990	1.9
283.09598	5.1
284.10507	9.9
285.11176	21.1
287.09171	1.5
295.09589	14.9
298.08450	5.1
299.09137	16.0
313.10693	71.5
314.11441	10.6
315.08673	4.8
330.10944	2.0
345.13315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
61.40933	0.6
68.36496	0.7
69.03438	1.1
69.07071	3.7
81.03439	1.6
85.02930	2.6
94.06554	6.7
95.04950	1.5
99.04459	11.6
101.52813	0.6
102.50309	0.7
102.85165	0.6
112.07634	1.4
118.24722	0.6
120.03020	0.8
121.06451	0.8
122.06027	29.8
123.04448	0.9
123.32700	0.7
126.97496	0.7
135.65446	0.6
137.05960	1.0
140.07071	32.5
144.04472	2.8
144.07047	0.6
146.05978	5.0
147.06781	0.8
162.05547	1.1
172.03929	43.6
172.37398	0.6
174.05492	3.5
178.08699	1.3
204.06557	100.0
206.08136	18.3
290.76657	0.7
300.12265	1.3
313.11777	0.9
331.12808	3.6
345.14651	16.1
345.21515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
57.07085	2.2
58.06600	8.9
65.42968	1.2
67.05508	2.2
69.03442	2.2
69.31644	1.2
71.04940	1.7
72.08150	1.1
81.03411	5.8
83.05021	1.5
85.02895	6.0
85.06547	100.0
89.60675	1.1
97.02912	1.4
99.04454	41.3
109.02866	1.3
117.05444	1.7
121.06503	1.1
127.03922	1.9
127.66496	1.2
131.07031	1.4
137.05986	7.0
150.88261	1.2
242.98441	2.4
243.08771	2.9
268.09259	1.4
283.11649	1.8
313.88394	1.4
327.10629	1.6
330.09247	4.9
345.05057	2.0
345.11484	22.9
345.15085	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
57.07085	2.2
58.06600	8.9
65.42968	1.2
67.05508	2.2
69.03442	2.2
69.31644	1.2
71.04940	1.7
72.08150	1.1
81.03411	5.8
83.05021	1.5
85.02895	6.0
85.06547	100.0
89.60675	1.1
97.02912	1.4
99.04454	41.3
109.02866	1.3
117.05444	1.7
121.06503	1.1
127.03922	1.9
127.66496	1.2
131.07031	1.4
137.05986	7.0
150.88261	1.2
242.98441	2.4
243.08771	2.9
268.09259	1.4
283.11649	1.8
313.88394	1.4
327.10629	1.6
330.09247	4.9
345.05057	2.0
345.11484	22.9
345.15085	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
53.69652	0.9
57.07059	1.0
58.06319	2.1
58.06606	59.2
59.06939	15.8
67.05486	1.3
69.03423	9.8
70.60293	1.2
71.04976	1.7
81.03407	12.8
83.04979	1.2
85.02908	17.1
85.06525	2.4
87.75926	1.1
95.04978	1.3
95.08654	1.1
97.02863	4.5
99.04449	78.8
109.02872	2.1
109.06508	1.3
113.06054	1.4
127.03906	7.2
130.49881	1.2
137.05952	11.0
138.06320	9.0
143.04921	1.7
144.05270	1.8
145.04956	4.7
151.07564	5.9
152.07851	2.0
174.65132	1.2
175.07521	5.5
176.07953	8.3
238.09619	1.4
239.09650	1.8
240.09996	2.1
266.08826	4.6
267.09186	6.4
268.09503	18.0
270.12119	1.4
284.09409	1.9
285.09610	5.8
299.11819	7.6
300.12039	20.8
345.05560	1.4
345.18387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37619	2.2
53.03944	3.7
57.03437	2.6
57.16076	2.1
58.06598	2.0
65.01309	2.2
69.03422	13.3
81.03409	13.2
82.79243	2.4
85.02900	23.0
85.06506	2.6
97.02893	3.9
99.04454	100.0
111.04437	3.0
127.03954	9.8
131.04927	4.8
145.04967	3.9
151.07623	3.6
191.07005	11.2
252.07817	3.4
253.08560	10.2
254.09154	2.9
255.06352	4.5
269.08121	5.2
270.08743	6.1
271.09702	4.6
272.06586	2.6
283.06091	5.7
285.11221	26.5
299.09134	78.6
313.10681	20.4
314.11481	40.6
315.08688	12.8
330.10849	4.9
345.13406	82.6
347.51428	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Chushizisin A
Peak:m/z	Relative Intensity
54.06192	1.8
60.89954	2.3
91.05468	4.8
95.05017	3.0
103.05457	5.2
105.07027	10.6
107.04957	10.6
111.04444	4.3
114.09140	2.8
119.04960	3.3
121.06471	5.0
129.07030	16.5
131.04936	12.4
133.06496	4.3
135.08063	13.1
135.68837	2.7
136.05196	11.5
137.05980	35.9
145.06436	3.8
149.05997	2.9
150.06764	20.8
151.07541	100.0
157.06502	18.5
161.06024	20.2
161.09612	5.2
163.07544	35.1
165.09111	91.2
174.06720	6.0
175.07510	10.3
177.09160	3.7
183.07906	2.7
189.09087	34.6
194.07475	3.0
207.10114	6.0
209.09610	11.9
210.10458	2.8
223.07629	3.2
224.08308	2.6
226.09869	5.4
235.07521	3.1
237.09129	4.6
239.10742	5.8
241.12190	29.2
241.60678	2.3
254.09308	10.3
267.10254	21.3
267.13535	17.7
269.11700	17.7
270.12585	3.2
281.11655	8.9
284.10550	3.5
286.11902	11.4
295.13330	4.8
299.09811	3.1
299.12766	17.3
301.14374	62.5
315.15891	2.9
327.09528	9.1
327.15842	22.3
345.13013	15.0
345.17053	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85836	0.9
53.03946	1.4
57.07079	1.4
58.06606	61.8
59.06937	16.6
69.03424	4.3
73.55917	1.0
77.79518	1.0
81.03413	6.8
85.02912	12.5
85.06547	2.2
93.96849	0.9
95.04926	1.5
97.02883	3.9
97.06609	0.9
97.09337	1.0
99.04457	45.6
102.74171	1.1
109.02862	1.6
113.06009	1.1
122.06018	4.0
127.03881	3.7
137.05981	10.6
138.06320	6.7
140.07083	4.9
143.04913	2.2
144.05283	4.2
145.04984	1.3
151.07549	5.6
151.08658	0.9
152.07915	1.7
164.55414	1.0
172.03955	6.8
175.07561	5.2
176.07906	6.4
193.10843	1.1
197.74309	0.9
204.06584	17.4
206.07979	1.2
220.08537	1.1
238.09349	1.2
240.09966	1.3
266.08896	5.5
267.09280	3.7
268.09454	11.8
285.09726	4.8
289.09964	1.1
299.11807	1.8
300.12112	17.4
302.14136	1.5
315.14828	1.2
345.18500	100.0
348.53918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2421
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
54.16249	1.4
57.07072	2.0
67.05513	3.3
69.03749	1.5
69.07069	2.6
69.30370	1.4
76.77078	1.2
79.05488	2.6
81.07047	8.6
81.47514	1.4
83.08637	1.8
85.06533	7.5
87.86889	1.5
90.68392	1.3
91.05477	2.7
93.07036	7.6
94.30921	1.3
95.08596	8.3
105.07031	10.3
105.22846	1.6
107.08601	10.7
109.06521	1.6
109.10168	3.0
113.05942	2.3
117.07018	2.4
119.08572	8.8
121.10144	7.7
123.08047	2.7
131.08563	7.5
133.10158	14.4
135.08052	5.8
137.09589	3.0
143.08531	3.3
145.10130	52.0
147.11716	6.4
149.09616	2.0
151.11140	6.0
155.08540	1.6
157.10132	15.6
159.11685	10.0
159.34380	1.8
161.13289	2.4
163.11140	1.9
169.10173	1.8
171.11700	6.4
173.13246	2.1
175.11073	2.5
181.10049	2.0
183.11665	3.2
185.13219	3.2
187.11255	3.0
189.12721	1.9
191.14296	1.5
197.13271	2.1
209.13211	2.4
211.14848	5.5
221.13254	3.3
237.16208	2.3
251.17961	2.0
252.18695	3.0
253.15955	3.3
253.19542	6.3
277.19449	5.6
295.20493	14.2
327.23032	15.1
345.24200	100.0
345.27805	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2422
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
52.87255	4.2
55.05524	6.7
57.77959	5.1
64.90032	4.5
67.05513	8.8
69.07076	25.6
71.25227	4.8
72.49206	5.4
79.05499	8.2
81.07077	37.2
83.08622	7.4
91.05472	20.9
93.07053	22.8
95.08623	44.1
102.45834	5.1
105.07044	57.4
107.08601	27.0
109.10159	22.5
111.08083	9.9
117.06984	5.5
119.08557	59.5
121.10162	19.1
122.21134	6.7
123.08084	29.3
131.08575	20.2
133.10207	37.3
135.08083	7.7
135.11667	8.6
143.08620	8.5
145.10133	41.7
147.08054	7.6
147.11678	42.4
153.81241	4.8
157.10126	8.7
159.11732	34.0
161.13264	25.7
169.10298	5.4
171.40186	5.2
173.13243	8.8
175.14807	9.2
183.11600	7.3
185.13252	9.7
187.14857	6.9
193.12259	5.6
195.11531	5.9
197.13197	6.9
199.11069	5.2
253.15916	11.5
259.37714	5.1
295.20551	100.0
327.23184	57.7
345.24429	23.3
345.27899	91.3
360.39856	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2422
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
55.05513	2.5
56.57915	0.9
62.71191	1.0
66.26214	1.2
67.05505	2.7
69.07055	2.9
79.05503	4.6
81.07067	14.3
83.08628	2.5
91.05481	5.3
93.07043	21.9
95.08620	8.6
97.06522	2.1
99.62212	1.1
103.28141	1.1
105.07042	28.8
107.08557	8.7
109.06528	6.9
109.10126	8.3
119.08578	35.0
121.06503	2.2
121.10155	5.1
121.90833	1.4
129.06944	1.7
131.08591	8.2
133.10138	15.3
135.11636	1.4
143.08633	4.2
145.10110	8.1
147.08046	15.7
147.11691	15.4
149.09625	5.1
149.13359	1.2
159.08035	2.5
159.11674	2.1
161.09624	10.5
161.13245	61.7
163.11166	2.7
171.11684	15.2
173.09714	4.1
173.13258	7.3
175.11154	1.8
175.14803	1.3
183.11671	1.4
187.14821	2.0
189.12737	42.1
201.12776	5.5
203.14294	5.1
215.14293	1.5
229.15871	2.3
243.21120	2.4
267.21094	4.9
285.22186	13.5
345.24210	100.0
345.27875	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2421
Annotation	16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.30606	2.6
53.11694	2.7
54.12258	2.5
58.43839	2.7
60.29158	2.7
67.05510	7.1
67.38586	3.1
69.07071	5.6
71.04981	18.0
72.21758	3.1
79.05498	4.7
79.08878	3.0
81.07056	18.1
85.06542	31.4
91.05488	13.1
93.07043	5.6
95.08601	21.0
95.92918	3.4
105.07043	16.3
107.08604	15.8
109.06536	4.5
109.10178	6.4
117.06995	4.1
119.08575	7.3
121.10149	6.4
129.07043	3.3
131.08578	16.4
133.10132	17.5
135.08070	13.8
135.11690	3.8
137.09612	12.8
140.07086	4.8
143.08502	11.4
145.10080	23.3
147.11697	5.3
151.11150	4.9
155.08563	4.0
157.10114	38.3
159.11652	16.8
169.10126	14.2
171.11641	3.9
175.11162	4.4
183.11681	18.8
185.13298	7.1
187.11208	6.4
188.57921	3.5
189.12648	3.6
195.11729	23.9
197.13194	11.8
203.14352	5.9
203.31561	3.4
204.06601	18.6
208.12434	4.3
209.13306	16.0
211.14804	28.8
221.13161	5.1
225.16342	31.7
229.15887	5.3
235.14647	5.6
237.16341	15.0
243.17313	13.1
251.18004	19.5
252.18829	4.5
253.15851	28.0
253.19273	6.8
255.17442	7.3
269.18900	3.7
271.20291	4.2
277.19537	6.0
295.20532	100.0
313.21570	48.0
321.68115	3.4
327.23230	50.5
345.12659	3.4
345.16779	5.0
345.20337	7.9
345.24075	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2422
Annotation	16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05500	1.6
67.05486	5.8
69.07040	1.6
71.04988	11.8
72.35801	1.1
74.82361	1.2
79.05493	3.1
81.07034	8.3
83.04938	1.6
85.06542	23.2
91.05460	3.1
93.07009	8.6
95.04951	1.4
95.08609	12.3
97.06520	1.6
105.07039	12.1
107.08590	10.3
109.06492	2.7
111.08043	2.4
117.06995	1.9
119.08528	8.7
121.10103	3.0
123.08038	2.4
131.08574	12.1
133.10060	8.6
135.08034	9.0
137.09625	12.8
143.08504	8.8
145.10110	16.7
147.11589	6.2
149.72900	1.2
154.45314	1.3
155.08481	7.9
157.10124	26.7
159.11658	15.2
161.09564	2.0
161.13206	2.1
167.08443	1.5
169.10092	14.8
171.11705	12.7
173.13177	3.1
175.11176	2.3
177.12646	2.2
181.10039	6.3
183.10358	1.3
183.11665	20.4
185.13286	9.3
187.11072	6.2
189.12712	1.9
191.14191	1.8
195.11751	14.2
196.12399	3.1
196.22748	1.3
197.13133	9.8
199.14690	2.0
201.12582	2.4
203.14272	6.4
207.11629	4.9
209.13239	12.5
211.14830	30.2
213.16423	1.7
215.14032	2.0
217.15779	1.9
221.13152	6.2
223.14732	1.8
225.16370	33.9
229.15846	2.5
235.14705	5.3
237.16307	19.3
239.14279	1.4
241.15787	2.1
243.17453	10.7
249.16318	1.5
249.40109	1.4
251.17900	16.0
252.18549	7.0
253.15878	31.3
253.19347	7.7
255.17285	8.3
267.21103	1.3
269.18967	9.2
271.16739	3.0
271.20291	3.1
277.19504	11.9
295.20563	100.0
313.21600	52.1
327.19287	2.1
327.23172	71.8
345.24066	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2423
Annotation	Micranoic acid B
Peak:m/z	Relative Intensity
58.10437	1.9
67.05504	2.5
69.07073	2.3
71.05002	5.2
72.58340	2.2
79.05508	3.9
81.07062	13.3
85.06552	11.9
90.78439	2.2
93.07041	8.9
95.08607	3.4
97.86892	1.8
105.07026	9.6
107.08593	12.7
109.06480	2.5
109.10175	3.3
119.08582	10.1
121.10152	7.7
122.05959	2.6
123.08045	8.9
125.09666	2.3
131.08563	4.4
133.10149	3.5
135.08083	2.4
137.09651	2.8
140.07063	3.2
143.08560	10.6
145.10121	11.0
157.10078	25.3
158.91208	2.3
159.11673	4.2
161.09575	3.2
169.10175	3.5
171.11732	10.4
172.04005	4.8
173.13261	4.3
183.11647	8.5
189.12598	3.1
195.11697	8.2
197.13246	3.0
201.12611	2.4
204.06657	15.0
207.11633	2.8
209.13266	4.9
211.14780	15.1
221.13243	4.1
222.14043	2.4
223.14928	3.2
225.16391	12.0
237.16406	4.1
251.17981	13.7
253.15828	9.5
253.19136	3.0
260.15482	2.4
274.18823	2.3
292.19754	2.7
295.20581	57.6
302.51938	2.5
313.21600	4.5
327.23203	100.0
345.13486	2.9
345.20450	4.8
345.24231	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2423
Annotation	O-Methylpisiferic acid methyl ester
Peak:m/z	Relative Intensity
55.05516	1.7
57.03418	1.1
57.18697	1.1
59.04980	1.3
59.51043	1.0
67.05495	4.7
69.03424	1.3
69.07069	5.5
71.04965	1.6
79.05481	5.9
81.03402	1.7
81.07040	12.0
83.04948	1.8
85.06553	9.5
90.12135	1.0
91.05484	6.2
91.64043	1.2
93.07025	14.5
95.04970	2.1
95.08589	12.6
97.06516	5.4
99.04463	4.6
105.07030	12.3
107.08611	9.4
109.06524	2.5
109.10163	6.9
111.04420	1.8
111.08080	16.3
117.07063	1.7
119.08596	11.6
119.93098	1.1
121.06512	22.1
121.10142	5.2
122.06048	2.1
122.06827	11.3
123.08054	23.5
123.11679	1.8
129.06992	2.1
131.08569	8.4
133.06493	1.9
133.10147	9.3
135.08040	2.8
135.11697	4.5
137.05972	1.9
137.09627	5.3
138.59097	1.5
140.07025	4.4
143.08565	8.8
145.10097	11.6
147.11674	7.3
149.05858	1.2
149.09669	4.2
157.10110	10.4
159.11682	11.4
161.09621	1.3
161.13237	1.8
163.11183	1.5
169.10107	5.4
171.11688	7.7
173.13152	5.4
175.11113	1.4
181.10150	1.4
183.11676	7.3
185.13229	1.7
187.11195	3.0
187.14723	1.2
195.11691	5.0
197.13280	4.8
201.12756	1.4
204.06558	8.7
209.13190	2.7
211.14821	11.3
213.16362	1.5
215.14369	1.8
221.13153	1.4
223.14946	1.5
225.16388	7.4
237.16411	6.5
239.14185	1.7
242.39993	1.2
251.17915	7.3
252.18694	6.6
253.19444	6.0
269.19046	2.4
271.20413	2.0
277.19513	2.8
295.20551	33.2
313.21539	10.3
327.23096	11.4
345.13431	2.4
345.19147	12.9
345.24213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98138	1.8
55.05518	21.9
57.03443	18.3
57.07083	31.6
64.13802	2.1
64.47159	1.9
66.51587	2.0
67.05505	33.8
69.07075	66.9
71.04981	3.0
71.08636	33.6
75.24289	2.2
75.53914	2.2
79.05495	10.2
81.07065	60.6
83.05004	2.7
83.08624	38.9
85.06555	29.9
91.05486	3.5
92.21574	2.8
93.07044	11.6
95.08609	55.5
97.06541	2.8
97.10164	14.9
99.04468	3.7
99.08110	17.7
105.07001	5.2
107.08601	10.6
109.10152	25.1
111.11704	3.8
113.09661	3.3
119.08591	4.7
121.10149	13.1
123.07993	2.7
123.11715	9.8
125.09553	3.6
127.11122	2.2
131.04924	3.3
133.10121	5.5
135.11703	7.9
137.09656	4.3
137.13234	4.1
141.01868	2.5
147.11685	14.5
149.13278	3.0
161.13232	5.4
167.14377	2.3
191.07019	10.8
217.19482	11.2
235.20564	13.5
253.21585	3.8
267.09860	2.5
271.22644	31.4
285.11285	3.8
313.10751	17.7
327.25314	39.4
330.10806	3.9
345.13419	14.1
345.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2631
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.45697	2.6
51.87411	2.7
53.00317	2.5
55.05514	24.1
56.36665	2.4
57.03430	17.6
57.07080	34.3
61.43482	2.5
67.05513	32.5
69.07067	61.5
71.03358	3.2
71.04984	2.9
71.08633	34.5
78.61507	2.9
79.05472	10.4
81.07053	54.4
83.08610	33.4
84.55790	2.8
85.02938	2.6
85.06536	36.4
89.52483	2.5
91.05498	6.2
92.21579	3.1
93.07030	14.9
95.08598	59.1
97.10151	18.9
99.04446	12.5
99.08106	14.4
100.85340	2.6
101.63634	2.6
105.07052	3.9
107.08617	7.2
109.06475	3.5
109.10120	27.7
111.08044	3.1
111.11712	5.7
119.08566	4.3
121.10149	14.8
123.08050	4.1
123.11679	6.0
131.04922	4.9
133.10135	6.4
135.11687	12.3
137.13258	4.0
161.13219	3.8
191.07082	6.9
217.19528	13.6
225.09094	6.5
225.22162	3.7
235.20444	12.1
267.09842	4.6
271.22546	26.4
285.11206	5.7
295.09796	3.8
313.10797	19.2
314.11444	4.1
315.09747	5.2
327.25140	35.2
345.13663	52.5
345.26343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.4
53.63734	1.3
55.05518	16.7
57.03440	7.8
57.06874	1.1
57.07088	26.5
60.85487	1.3
67.05510	37.2
69.07070	46.9
71.04986	1.9
71.08633	34.6
71.46623	1.2
72.08948	1.4
78.33444	1.4
79.05482	9.2
81.06617	3.0
81.07063	52.2
83.08625	27.1
85.06550	19.3
85.10188	1.9
88.50114	2.1
91.05466	6.8
93.07021	18.5
95.08605	63.4
95.48392	1.5
97.06520	8.6
97.10155	18.9
99.08099	24.7
105.07014	6.9
107.08579	11.0
109.10151	23.8
111.08090	2.7
111.11737	9.3
113.09631	2.9
119.08573	10.1
121.10136	22.1
123.11685	20.3
125.09643	2.0
127.11206	2.9
133.10110	14.2
135.11710	14.9
137.09631	2.7
137.13295	9.9
139.11203	1.7
147.11653	12.0
149.13240	3.5
151.11137	2.6
151.14832	6.7
161.13217	11.3
165.12743	2.5
167.14240	2.1
175.14771	3.7
217.19521	28.1
225.22153	2.2
235.20561	24.7
239.50784	1.8
253.21553	2.2
271.22678	29.3
309.24106	8.1
313.10672	2.0
327.25275	100.0
327.30899	3.3
345.26563	13.4
359.67972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2635
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.05518	19.4
57.03441	7.6
57.06823	2.3
57.07085	32.1
60.43333	1.6
67.05514	37.6
69.07072	47.0
71.08633	28.5
74.32967	1.8
79.05503	10.7
81.07063	62.0
83.05025	1.9
83.08635	25.3
85.06554	24.6
87.08118	2.2
91.05478	8.0
93.07049	16.6
95.08610	59.5
97.06532	3.9
97.10174	18.6
99.04482	2.7
99.08102	28.2
102.61861	1.7
105.07037	7.1
107.08595	15.1
109.10159	27.9
111.08029	2.1
111.11723	8.0
113.09623	2.2
119.08546	14.0
121.10151	23.9
123.11684	15.2
127.11227	2.2
133.10120	19.6
133.86266	1.9
135.11685	16.5
137.09624	3.1
137.13261	10.8
139.11267	2.3
147.11745	10.9
149.13216	4.5
151.14806	3.6
153.12778	2.5
161.13281	10.9
165.12743	3.7
175.14854	2.1
179.14359	3.2
189.16376	1.9
198.23874	2.0
217.19560	22.1
225.21991	1.9
235.20563	25.8
253.21730	4.3
267.91803	2.0
271.22717	27.7
309.24246	7.3
327.25305	100.0
345.13239	2.4
345.26471	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29826	3.7
50.52455	4.1
54.06687	3.9
55.02488	3.5
55.05522	67.1
55.78774	5.6
57.07084	31.0
57.51338	4.6
58.87657	4.6
67.05511	45.3
69.07077	100.0
71.04996	10.8
71.08636	50.1
75.45158	5.0
79.05511	5.9
81.07062	84.8
83.08623	99.1
84.04521	6.2
84.08176	5.3
85.06548	9.1
91.05492	6.4
93.07040	28.9
95.08621	66.4
95.64396	4.4
97.06537	11.6
97.10170	52.3
97.12869	4.4
98.07313	10.5
99.08099	30.4
100.07625	5.6
107.08570	21.8
109.10152	40.9
109.55889	5.4
111.08121	7.2
111.11728	10.4
119.08617	11.1
121.10137	30.2
123.11715	11.6
126.09142	6.1
132.94745	5.3
133.10133	11.9
135.11726	8.3
137.13290	6.0
147.11674	10.8
149.13242	9.6
150.32129	4.9
161.13210	6.7
163.14861	5.2
175.14821	8.7
210.14888	47.0
227.17480	25.6
245.22633	17.0
252.56123	5.1
263.23672	24.9
274.80136	4.6
278.25375	5.5
279.23102	18.9
297.24423	6.4
298.27454	7.2
299.25934	40.2
310.23767	6.6
327.30844	6.3
345.11661	6.6
345.27524	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	51.9
57.07094	32.4
67.05505	38.0
69.07073	100.0
71.03612	3.6
71.04994	8.0
71.08622	43.0
79.05490	7.7
79.49422	4.2
81.07059	77.4
82.54321	4.5
83.08629	78.3
84.04514	4.7
85.06541	10.4
85.10149	4.9
91.05465	17.1
93.07045	18.5
93.23325	5.4
95.08604	95.6
96.09392	4.9
97.06518	7.8
97.10172	53.6
99.08086	20.5
100.07637	4.9
105.07050	7.8
107.08608	21.6
109.10157	34.1
111.08089	19.5
111.11703	17.0
112.07612	7.6
119.08598	17.1
121.10109	28.1
123.11668	17.0
126.34563	5.0
133.10162	24.5
135.11691	18.2
139.11226	5.9
147.11699	17.8
149.13283	17.1
160.57449	4.9
161.13301	8.5
175.14850	7.3
179.14139	7.3
210.14842	35.3
213.24112	7.5
227.17546	23.5
243.48088	4.6
245.22612	9.7
263.23645	29.5
268.26440	8.7
269.24750	5.9
279.23038	26.0
280.26434	6.4
281.24841	5.7
297.24048	10.2
298.27173	7.9
299.25748	7.5
345.11691	19.8
345.27539	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2996
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
53.00303	2.2
55.05510	11.4
57.07080	92.0
67.05518	23.2
69.07077	12.3
70.83455	2.5
71.08636	74.2
75.04489	3.0
81.07052	29.8
83.08209	2.6
83.08613	24.9
83.17230	2.5
85.10186	44.8
87.78713	2.3
92.20959	2.5
95.08604	45.6
97.10165	21.3
109.10182	28.8
111.11720	3.6
118.17068	2.4
123.11652	5.9
137.13327	3.7
178.18291	3.0
235.24153	3.5
239.06972	3.0
253.25220	41.6
282.27707	2.9
327.28900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2997
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
52.95258	2.3
55.05508	13.9
57.03428	6.1
57.07082	100.0
67.05511	25.2
69.07071	21.4
70.95342	2.4
71.08634	77.1
75.04464	3.1
81.07059	32.4
82.95770	2.0
83.08635	21.8
84.33892	2.3
84.36861	2.3
85.10181	48.5
91.75942	2.3
93.07055	5.3
95.08609	62.3
97.10190	18.7
105.07063	4.6
107.08609	4.1
109.10165	24.4
111.11710	3.5
111.12439	2.6
119.08551	4.3
121.10143	4.2
121.87612	2.3
123.11703	10.3
125.98960	2.5
127.03795	2.7
133.10124	4.5
137.13287	3.8
147.11725	3.0
158.01497	2.9
175.14798	2.4
186.13637	2.5
212.83252	2.3
219.23853	2.2
221.80122	2.2
238.38147	2.7
253.25229	37.1
271.26321	3.0
278.17136	2.5
311.01038	2.9
327.28964	81.3
327.34955	3.5
345.28043	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0919
Annotation	Triflumizole
Peak:m/z	Relative Intensity
57.80374	0.4
58.06585	0.9
59.98156	0.4
60.04065	0.4
60.14614	0.5
60.25079	0.4
66.87294	0.5
70.06605	0.5
74.64883	0.5
81.03440	0.6
84.08156	0.7
86.09695	0.6
87.04472	0.5
99.04472	1.0
162.05490	2.5
180.88834	0.7
184.09590	0.9
210.19208	0.6
212.07182	1.1
213.07837	2.5
227.05692	1.0
241.07346	10.5
242.08034	8.1
245.06812	1.4
256.06012	0.9
258.07697	2.4
268.06168	0.6
269.06732	4.8
270.07684	2.6
274.07086	4.3
274.10443	0.6
286.07071	40.0
299.07806	4.9
299.59695	0.7
300.08688	3.3
302.10052	2.3
314.06641	5.5
314.10284	2.5
328.08121	2.5
328.15311	2.8
331.37952	0.6
346.09186	100.0
346.12793	7.4
346.16129	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.11380	0.9
69.03434	4.2
69.07075	0.8
70.06580	3.6
71.05006	1.9
72.08150	1.7
81.03439	8.4
82.59736	0.9
85.02926	7.3
85.06539	1.6
86.02422	1.9
86.09698	1.9
86.64615	0.8
89.16933	0.8
97.02895	6.3
98.06063	1.1
98.09706	1.6
99.04459	100.0
104.13994	0.8
109.02894	1.9
109.10124	1.0
109.83067	0.7
117.05498	13.1
117.33220	0.9
120.08079	2.0
121.06534	1.7
123.04420	4.1
127.03912	3.5
137.05989	3.4
138.06335	3.3
144.96164	0.8
145.04915	1.8
145.38602	0.9
147.04369	1.2
158.04491	1.3
182.08104	2.0
184.09941	0.9
184.11700	0.9
186.57257	0.9
230.13947	0.9
243.08681	1.3
261.09729	3.8
300.08743	2.1
302.10272	1.3
328.17639	1.2
328.21115	1.6
329.10291	0.9
337.18671	1.0
346.09067	5.7
346.12347	10.5
346.22211	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06298	0.6
58.06591	1.7
72.08137	4.7
81.03367	0.8
85.02884	1.1
85.06543	9.1
86.06856	2.9
99.04448	3.2
99.61900	0.7
100.04789	1.1
101.06050	0.7
102.05525	0.7
112.32594	0.7
115.17088	0.7
118.08640	2.8
134.05972	0.7
137.05966	10.5
162.05479	19.5
163.06294	0.8
177.07811	0.8
178.08597	4.0
179.09383	17.4
180.06564	4.4
183.11333	1.4
208.06041	61.1
255.08812	0.9
285.09927	14.5
288.08542	1.0
293.07993	0.9
300.12292	100.0
328.11749	4.3
331.10168	1.1
346.12723	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1284
Annotation	Candimine
Peak:m/z	Relative Intensity
51.73471	0.4
52.62468	0.5
58.06604	12.0
67.11485	0.5
71.72406	0.5
72.08170	1.1
73.86300	0.5
84.08134	0.8
86.09696	1.3
99.04463	6.4
121.02844	0.6
128.03127	0.6
137.05963	2.6
140.00298	0.6
141.05461	2.2
150.09134	5.0
154.02600	0.6
159.69673	0.6
160.07626	1.3
162.05501	1.2
169.04980	11.0
170.05681	2.6
176.07045	5.7
177.07843	49.9
178.08626	44.0
181.06445	0.7
205.11011	0.8
216.10172	0.6
221.10345	2.5
244.09596	0.8
245.10443	13.0
251.07086	0.8
254.08104	1.0
255.10176	3.0
258.11136	1.1
260.12677	2.2
282.07590	2.5
283.09805	1.0
286.10629	0.9
299.07770	1.0
300.08807	2.0
302.02081	0.6
314.10236	13.1
316.08090	2.9
328.11765	3.9
328.15366	1.0
331.10553	5.5
346.12784	100.0
346.16531	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1283
Annotation	Candimine
Peak:m/z	Relative Intensity
58.06582	0.8
59.37653	0.6
61.02921	0.9
66.27731	0.6
69.03413	4.2
70.06595	0.9
72.08147	0.9
73.02897	0.9
80.03416	0.6
81.03407	0.9
85.02905	25.2
86.09694	0.8
96.50858	0.6
97.02873	3.1
99.04488	5.1
107.04958	7.9
109.02872	1.2
121.06470	2.6
127.03913	7.5
137.05977	1.3
145.04953	6.4
149.05983	4.1
152.05641	2.6
160.33818	0.7
163.06017	7.9
167.07028	2.5
177.07632	0.8
180.08653	7.4
184.09465	0.7
192.10126	0.7
204.81718	0.7
226.08704	6.3
227.07265	0.9
227.09396	16.5
233.08220	0.8
240.10042	1.0
241.10957	14.7
242.11710	12.2
255.08868	37.8
257.06680	3.0
259.08301	3.4
268.09558	3.4
270.11243	33.2
271.08157	4.1
272.09143	17.7
283.09097	0.9
286.10764	5.5
293.10120	1.1
299.07919	9.8
300.07962	1.6
302.08917	1.0
314.10220	61.1
329.65598	0.8
332.35922	0.8
344.98376	0.8
346.08450	3.2
346.12689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1282
Annotation	Candimine
Peak:m/z	Relative Intensity
58.06298	0.6
58.06591	1.7
72.08137	4.7
81.03367	0.8
85.02884	1.1
85.06543	9.1
86.06856	2.9
99.04448	3.2
99.61900	0.7
100.04789	1.1
101.06050	0.7
102.05525	0.7
112.32594	0.7
115.17088	0.7
118.08640	2.8
134.05972	0.7
137.05966	10.5
162.05479	19.5
163.06294	0.8
177.07811	0.8
178.08597	4.0
179.09383	17.4
180.06564	4.4
183.11333	1.4
208.06041	61.1
255.08812	0.9
285.09927	14.5
288.08542	1.0
293.07993	0.9
300.12292	100.0
328.11749	4.3
331.10168	1.1
346.12723	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06298	0.6
58.06591	1.7
72.08137	4.7
81.03367	0.8
85.02884	1.1
85.06543	9.1
86.06856	2.9
99.04448	3.2
99.61900	0.7
100.04789	1.1
101.06050	0.7
102.05525	0.7
112.32594	0.7
115.17088	0.7
118.08640	2.8
134.05972	0.7
137.05966	10.5
162.05479	19.5
163.06294	0.8
177.07811	0.8
178.08597	4.0
179.09383	17.4
180.06564	4.4
183.11333	1.4
208.06041	61.1
255.08812	0.9
285.09927	14.5
288.08542	1.0
293.07993	0.9
300.12292	100.0
328.11749	4.3
331.10168	1.1
346.12723	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24093	1.6
54.45530	1.7
57.03445	2.3
58.06601	5.3
61.02928	3.3
65.23836	1.9
67.15620	2.2
67.36363	2.0
69.03423	14.1
70.06606	2.1
71.26099	1.7
81.03407	2.4
85.02908	67.3
86.06047	2.8
86.09706	12.4
87.04477	3.1
88.04006	5.5
93.07048	2.9
97.02895	13.9
98.06037	5.1
99.04462	15.3
107.04971	22.4
115.45292	2.1
121.06484	2.9
127.03889	21.8
136.06177	3.2
138.09117	2.8
145.04985	15.3
146.35767	2.4
163.05981	13.6
164.10574	2.1
167.07022	2.9
180.08679	17.1
182.08052	2.5
194.08083	4.4
227.09389	4.9
230.13889	26.9
241.10867	2.6
242.11737	14.4
255.08948	9.6
270.11295	4.2
272.09122	4.7
299.07825	3.1
300.12244	3.5
300.50363	2.4
302.10437	3.3
314.10336	18.2
318.87912	2.4
328.14078	3.6
328.17593	4.7
331.10651	8.7
346.12500	100.0
346.22400	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.1
55.01875	3.1
69.03436	8.9
70.06593	9.5
71.04997	3.2
71.40488	1.8
75.28677	2.0
78.32199	1.9
79.41727	1.9
81.03413	18.5
84.04507	4.2
85.02892	9.2
86.06063	25.3
87.04469	33.3
87.21827	1.8
88.03942	2.0
93.07070	1.7
96.04519	3.3
97.02896	21.9
97.27667	2.1
98.06060	45.6
99.04443	28.4
108.04479	2.6
109.02865	4.5
114.05487	3.2
116.07068	11.1
121.06502	2.5
124.07566	4.6
125.04729	8.7
126.05508	10.0
127.03937	2.9
128.07085	17.4
128.99124	2.2
134.06030	8.1
136.07642	1.9
138.09149	3.1
140.07050	3.9
142.08594	2.1
144.06519	4.2
144.10208	2.6
148.07591	4.2
152.07039	3.1
156.56416	2.0
164.07047	4.0
166.08638	13.2
170.08087	2.3
176.07086	25.1
182.08107	9.0
184.09680	3.6
194.08148	49.6
211.71211	2.2
212.09184	20.1
230.10242	14.1
248.11287	11.2
286.06989	2.9
328.13895	64.6
346.08871	5.1
346.15045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	5.3
69.03442	1.3
70.06583	5.2
72.21638	1.2
74.32394	1.3
85.02915	5.7
86.06075	9.6
98.06062	23.1
100.07571	1.8
102.05561	5.0
103.62875	1.2
106.99251	1.2
114.05529	73.6
124.07629	1.3
126.21745	1.2
127.08692	12.7
129.06610	2.5
139.08638	1.7
141.10233	8.6
142.08656	6.0
144.06560	53.6
157.09706	2.8
169.09644	2.2
181.09746	4.9
183.11357	11.2
185.09198	21.6
186.07588	9.3
187.10771	7.2
196.10957	1.6
199.10597	1.6
203.10303	7.1
207.38925	1.1
210.12433	2.9
227.10274	90.7
240.13480	2.9
282.14700	1.9
286.13782	5.2
310.74139	1.3
319.33881	1.5
328.15015	100.0
346.16043	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1645
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
50.05905	0.9
57.46229	0.8
58.06601	10.5
60.04523	1.1
69.07037	1.1
72.04503	5.4
74.06081	10.1
86.09713	24.2
87.97022	1.0
95.08592	1.0
101.07132	7.4
102.02218	1.0
104.93425	1.1
109.10196	0.9
115.05442	2.1
116.96331	1.0
119.32087	1.1
137.05974	83.3
142.12288	5.7
142.13342	1.0
143.04918	24.2
143.11780	1.6
151.07556	5.5
152.10683	1.3
153.12729	1.0
158.11740	0.9
160.05135	1.4
161.05940	1.1
163.07573	1.7
175.07530	38.4
175.57576	1.0
187.14418	30.2
190.08690	1.5
191.09416	1.4
192.10216	22.8
193.10530	1.2
206.11891	3.6
207.08066	1.7
215.10374	1.1
215.13914	16.0
225.09074	1.9
239.07056	1.1
239.10718	5.9
252.19559	2.2
253.08516	6.4
267.10156	7.8
270.08484	1.4
270.20596	1.7
274.12061	1.2
285.11142	2.5
286.11804	8.6
299.12729	14.6
313.13324	1.6
320.08914	1.5
328.24927	5.4
329.15933	1.6
346.12271	6.1
346.16428	100.0
346.19827	4.4
346.25967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1646
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
52.92916	0.7
58.06606	28.3
59.34068	0.9
62.34966	0.9
67.65746	1.0
70.06580	1.9
88.42856	0.9
98.24915	0.8
100.66856	1.0
107.04990	1.0
119.74172	1.0
121.02863	1.5
137.05991	5.5
138.06314	3.6
150.09164	4.4
158.19194	0.9
160.05313	0.9
169.04938	6.0
176.07101	1.8
177.07835	28.4
178.08636	25.9
179.09288	1.0
181.06415	1.6
195.08095	1.5
205.10927	1.5
213.09052	3.6
216.10172	1.7
223.07610	1.1
226.90733	1.1
231.10280	1.0
244.09618	1.5
245.10435	27.2
248.13680	0.9
255.10158	6.6
257.08041	1.4
258.11115	1.0
260.12787	4.7
283.09695	4.0
314.10211	7.1
328.11966	1.3
331.10461	4.0
346.12735	53.0
346.16479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1647
Annotation	Isoprostephabyssine
Peak:m/z	Relative Intensity
58.06599	0.3
60.88295	0.3
86.09679	0.6
99.46539	0.3
121.06544	0.9
123.04465	0.4
137.05942	1.9
151.03964	0.4
162.05478	0.5
176.07045	0.6
188.07095	0.4
190.08571	2.8
191.09415	1.7
192.10201	3.2
204.10239	1.3
237.09273	0.4
249.11452	0.6
253.08636	0.5
265.08481	0.5
266.11819	0.5
267.12518	0.8
283.11874	0.4
284.12772	6.8
285.11182	0.6
295.12189	0.7
296.09055	0.4
298.10815	2.2
298.14355	0.5
312.12268	12.8
313.09396	0.8
313.13068	24.0
328.15421	100.0
330.09802	0.8
331.10385	1.8
334.19339	0.4
346.12747	5.8
346.16489	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.3
60.88295	0.3
86.09679	0.6
99.46539	0.3
121.06544	0.9
123.04465	0.4
137.05942	1.9
151.03964	0.4
162.05478	0.5
176.07045	0.6
188.07095	0.4
190.08571	2.8
191.09415	1.7
192.10201	3.2
204.10239	1.3
237.09273	0.4
249.11452	0.6
253.08636	0.5
265.08481	0.5
266.11819	0.5
267.12518	0.8
283.11874	0.4
284.12772	6.8
285.11182	0.6
295.12189	0.7
296.09055	0.4
298.10815	2.2
298.14355	0.5
312.12268	12.8
313.09396	0.8
313.13068	24.0
328.15421	100.0
330.09802	0.8
331.10385	1.8
334.19339	0.4
346.12747	5.8
346.16489	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.165
Annotation	Metaphanine
Peak:m/z	Relative Intensity
58.06610	21.6
65.04142	0.8
70.05125	0.7
70.36745	0.7
71.13433	0.7
72.08163	3.4
74.06070	0.9
81.03417	1.6
83.05002	1.3
84.08148	2.0
86.09708	3.5
99.04443	10.2
107.04982	7.5
110.23684	0.9
112.04986	1.1
113.05421	0.9
121.02863	11.2
121.06508	1.8
130.08643	1.1
131.05070	0.8
140.07040	0.8
144.10274	1.0
147.04427	1.2
152.07111	1.1
162.09099	1.0
176.04633	1.4
178.08661	1.7
185.16484	1.1
190.08641	1.9
195.08105	1.3
203.09579	1.0
206.08115	14.1
206.11731	1.7
207.08881	4.4
209.50818	1.0
213.15927	1.1
219.98259	0.9
220.09529	1.1
221.10466	100.0
222.11255	33.2
223.07498	3.3
251.06992	3.1
255.10008	4.3
273.40399	1.0
299.07932	5.7
314.10123	1.8
328.15417	34.4
331.10574	3.4
346.08615	1.3
346.12689	18.7
346.16449	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02926	0.8
53.11121	1.0
53.59021	0.8
54.26112	0.8
57.93073	0.8
58.06604	4.0
68.11356	1.1
72.04498	6.6
74.06069	4.1
82.66510	1.1
83.14281	0.9
86.09714	11.9
95.04964	1.5
99.04446	1.0
115.05467	1.8
116.98689	1.0
121.06492	1.3
137.05981	82.3
142.12279	1.4
143.04916	28.9
149.09665	1.4
151.07533	6.2
161.06017	1.2
162.05525	2.1
167.08990	1.0
175.07539	36.0
176.06960	1.2
176.08432	1.4
187.14369	1.1
190.04984	1.3
190.08650	5.2
191.09435	1.2
192.10194	19.2
195.70679	0.9
206.11761	1.6
215.13857	2.1
221.05856	1.0
225.09013	1.9
233.14865	1.4
235.07474	1.2
239.10583	2.0
252.19691	4.0
253.08588	2.2
255.10289	1.6
267.10138	5.8
270.20612	4.9
280.90625	1.0
286.12189	7.7
292.22562	1.0
299.12796	11.9
312.12296	1.0
320.83148	1.1
328.11819	1.1
328.15509	2.2
328.24704	9.7
329.16235	1.6
346.12814	3.7
346.16452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Isoprostephabyssine
Peak:m/z	Relative Intensity
58.06601	2.0
59.63062	0.3
63.39726	0.4
72.04563	0.4
84.08189	0.4
86.06068	0.8
86.09698	0.7
98.06071	0.4
137.05978	2.7
152.46924	0.5
156.28349	0.5
164.07101	0.5
165.03601	0.4
190.08653	2.7
191.09454	0.9
192.10207	3.0
204.10144	0.8
207.71521	0.5
242.11732	0.7
249.11513	0.8
253.08636	0.8
267.12601	0.9
272.09204	0.8
283.12082	0.7
284.12820	6.3
295.11942	0.7
296.12823	0.6
298.10690	0.9
302.10150	2.9
312.12289	14.6
313.09421	0.9
313.13080	26.1
315.12183	0.6
316.08282	0.7
328.15433	100.0
330.09631	3.4
331.10583	4.9
346.12817	18.8
346.16537	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1645
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
50.77636	0.6
51.50472	0.5
54.28994	0.6
58.06608	9.0
60.37238	0.6
72.04510	1.7
82.34512	0.6
85.02906	6.8
99.04462	0.8
103.05471	3.0
107.04969	2.6
109.02888	1.6
111.40415	0.7
112.14594	0.6
115.05448	1.0
121.06494	7.3
123.04427	18.8
127.03967	0.8
131.04927	9.3
135.07976	0.7
137.02347	2.5
137.05986	40.7
141.43384	0.8
143.04927	12.2
145.04977	1.7
149.06003	1.2
151.07520	5.1
153.56801	0.7
159.04459	1.2
161.05988	1.1
163.07547	14.5
167.07088	1.0
175.07541	16.0
181.08629	0.9
187.10912	1.0
190.08644	1.1
191.06995	3.0
191.09312	0.7
192.10236	7.9
195.08072	5.5
195.10902	0.7
201.12401	0.7
204.06693	1.3
205.06706	3.0
205.10991	4.0
206.11890	0.8
207.08131	1.5
213.09096	1.4
221.05966	0.8
223.07480	8.4
225.09201	1.2
233.06024	1.3
235.07523	1.4
237.09062	0.8
239.06923	0.9
239.10591	1.4
251.07033	12.3
253.08623	2.6
255.10152	1.6
256.07266	0.9
267.10141	4.0
271.09506	1.1
283.09622	5.4
285.11206	1.2
286.11945	3.0
299.12613	4.9
301.10703	36.3
329.16177	0.9
346.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1653
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
59.29879	1.2
68.44764	1.4
72.04528	3.5
74.02418	2.0
75.44102	1.5
85.99699	1.6
86.06048	7.9
86.60346	1.3
87.04469	18.5
90.79856	1.4
90.86527	1.3
95.04959	1.7
99.04461	9.4
100.04777	3.7
112.07577	11.0
114.05525	97.2
137.05981	100.0
142.04988	48.0
143.04912	27.9
143.97789	1.8
151.07516	3.4
160.06076	34.1
163.07614	2.3
175.07555	34.8
191.09225	2.2
192.10196	22.2
207.08176	1.9
235.07466	1.9
239.10597	6.3
253.08617	6.2
255.10135	2.0
267.09995	5.6
286.12033	9.1
299.12704	11.3
328.15326	2.0
329.16138	2.8
346.15970	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.0
59.63062	0.3
63.39726	0.4
72.04563	0.4
84.08189	0.4
86.06068	0.8
86.09698	0.7
98.06071	0.4
137.05978	2.7
152.46924	0.5
156.28349	0.5
164.07101	0.5
165.03601	0.4
190.08653	2.7
191.09454	0.9
192.10207	3.0
204.10144	0.8
207.71521	0.5
242.11732	0.7
249.11513	0.8
253.08636	0.8
267.12601	0.9
272.09204	0.8
283.12082	0.7
284.12820	6.3
295.11942	0.7
296.12823	0.6
298.10690	0.9
302.10150	2.9
312.12289	14.6
313.09421	0.9
313.13080	26.1
315.12183	0.6
316.08282	0.7
328.15433	100.0
330.09631	3.4
331.10583	4.9
346.12817	18.8
346.16537	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
52.73571	0.6
57.75939	0.8
58.06603	6.6
60.04552	0.8
62.40745	0.7
71.88050	0.7
72.04500	5.0
74.06064	1.5
86.09712	8.9
91.05441	0.9
94.61097	0.9
103.83321	0.8
104.39616	0.8
107.04993	1.5
115.05432	1.6
121.06507	1.7
137.05977	77.7
143.04929	24.8
145.06519	1.3
148.63875	0.8
149.05930	1.1
151.07567	5.8
151.08879	0.8
160.07622	1.1
161.05911	1.2
161.97726	0.8
162.05450	1.6
163.07541	3.5
167.07097	1.2
175.07520	30.0
176.08398	0.8
179.09471	2.0
187.14410	3.7
190.05035	2.0
191.09406	1.8
192.10184	17.8
206.11792	1.4
207.08170	1.2
215.13885	5.1
223.07578	1.4
225.09077	1.9
227.10706	1.8
233.15007	1.1
235.07590	1.6
239.10735	1.3
253.08575	3.4
253.11499	0.8
255.10138	1.0
267.10126	5.5
274.11935	1.0
285.11151	1.9
286.12015	6.9
299.12823	8.9
328.15460	1.9
329.16187	2.0
334.10941	1.3
340.57721	0.9
346.16464	100.0
346.19974	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1648
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
53.02926	0.8
53.11121	1.0
53.59021	0.8
54.26112	0.8
57.93073	0.8
58.06604	4.0
68.11356	1.1
72.04498	6.6
74.06069	4.1
82.66510	1.1
83.14281	0.9
86.09714	11.9
95.04964	1.5
99.04446	1.0
115.05467	1.8
116.98689	1.0
121.06492	1.3
137.05981	82.3
142.12279	1.4
143.04916	28.9
149.09665	1.4
151.07533	6.2
161.06017	1.2
162.05525	2.1
167.08990	1.0
175.07539	36.0
176.06960	1.2
176.08432	1.4
187.14369	1.1
190.04984	1.3
190.08650	5.2
191.09435	1.2
192.10194	19.2
195.70679	0.9
206.11761	1.6
215.13857	2.1
221.05856	1.0
225.09013	1.9
233.14865	1.4
235.07474	1.2
239.10583	2.0
252.19691	4.0
253.08588	2.2
255.10289	1.6
267.10138	5.8
270.20612	4.9
280.90625	1.0
286.12189	7.7
292.22562	1.0
299.12796	11.9
312.12296	1.0
320.83148	1.1
328.11819	1.1
328.15509	2.2
328.24704	9.7
329.16235	1.6
346.12814	3.7
346.16452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66978	0.5
55.03272	0.6
56.79287	0.6
58.06611	7.4
64.15028	0.6
69.03406	0.8
69.62319	0.7
74.02444	1.3
79.69170	0.6
81.03431	0.8
84.05193	0.6
86.06059	5.7
86.09698	1.4
87.04475	14.5
97.10230	0.8
99.04475	3.0
100.04804	1.3
102.27639	0.7
112.07622	10.1
114.05528	100.0
121.06502	4.7
125.09635	1.4
130.08632	1.2
137.05966	1.1
138.06404	0.8
142.04990	48.0
160.06039	34.2
167.07027	1.4
192.10233	2.7
300.18225	1.3
313.16791	0.8
346.12640	1.4
346.18719	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66978	0.5
55.03272	0.6
56.79287	0.6
58.06611	7.4
64.15028	0.6
69.03406	0.8
69.62319	0.7
74.02444	1.3
79.69170	0.6
81.03431	0.8
84.05193	0.6
86.06059	5.7
86.09698	1.4
87.04475	14.5
97.10230	0.8
99.04475	3.0
100.04804	1.3
102.27639	0.7
112.07622	10.1
114.05528	100.0
121.06502	4.7
125.09635	1.4
130.08632	1.2
137.05966	1.1
138.06404	0.8
142.04990	48.0
160.06039	34.2
167.07027	1.4
192.10233	2.7
300.18225	1.3
313.16791	0.8
346.12640	1.4
346.18719	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44842	0.5
55.08051	0.6
58.06601	0.5
60.04529	100.0
61.48857	0.7
62.81573	0.6
67.05479	0.7
71.08633	1.5
74.70634	0.5
80.33852	0.6
87.35214	0.5
95.08571	0.7
99.08090	3.2
104.68037	0.6
109.10149	3.4
125.09628	1.1
139.11179	0.9
142.12268	3.4
155.10692	3.0
160.13286	3.8
173.11768	6.7
180.63199	0.7
196.13315	2.7
211.13254	1.5
232.15387	3.0
249.78711	0.6
286.11765	0.9
293.21155	0.9
300.09479	0.7
311.22110	1.2
314.11145	1.3
318.11230	1.4
331.08337	3.6
346.10526	18.7
346.25858	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46610	1.1
52.01785	1.1
52.98269	1.3
54.87492	1.2
55.01872	1.3
55.05523	2.3
55.35075	1.2
56.04327	1.4
56.14770	1.2
57.07067	1.3
58.06603	1.9
60.04530	100.0
67.05504	8.2
69.07058	2.7
73.02489	1.4
78.03011	1.4
79.05484	3.3
81.07053	11.6
83.08624	3.7
86.09724	2.5
91.05463	2.2
93.07053	8.7
95.08601	9.6
97.10168	6.1
99.08103	3.6
105.07042	8.7
107.08618	8.4
109.10163	9.9
111.08055	3.1
116.80738	1.6
119.08572	12.8
121.06509	12.6
121.10132	7.5
123.11698	2.1
125.09612	3.6
131.08609	2.5
133.10129	9.0
135.08087	1.5
135.11697	2.7
137.09648	2.8
139.11168	2.5
145.10117	8.4
147.11606	2.5
149.09608	3.5
151.11180	2.2
153.09090	2.1
155.10658	2.6
159.11632	1.9
160.13348	6.4
161.13277	2.4
163.11194	2.5
173.11737	10.1
179.10713	1.5
193.12247	1.7
208.13376	1.9
211.13194	2.9
213.16272	2.9
222.20302	1.6
231.17448	2.5
232.15475	2.8
249.18443	8.8
275.20078	48.8
293.21005	7.4
311.22058	8.8
320.52213	1.8
332.30530	1.9
337.11249	2.5
346.13449	3.5
346.20120	11.1
346.25812	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98148	1.8
52.79528	1.9
55.05513	5.6
56.03691	1.9
57.03428	1.8
60.04533	4.0
60.73489	1.9
67.05497	11.2
69.07064	9.3
70.33657	2.2
79.05488	12.1
81.07062	14.5
83.08614	5.5
91.05477	12.0
93.07046	17.4
95.08613	17.4
97.06545	3.8
97.10186	9.3
99.08095	7.9
101.66825	2.3
105.07020	13.2
107.08605	24.1
109.10151	13.3
110.06023	3.7
111.08105	4.8
119.08571	19.5
121.06503	58.8
121.10135	13.5
123.08070	4.4
125.09653	9.0
131.08575	5.3
133.10120	24.2
135.03438	2.5
135.08023	3.1
135.11690	2.4
137.09612	8.8
145.10101	10.9
147.11703	12.3
149.09621	3.2
151.11140	3.8
153.87770	2.3
159.11639	4.7
161.13229	3.3
163.11150	5.4
171.11626	2.3
173.13255	5.0
208.13368	16.6
213.16393	3.7
231.17401	9.8
239.17805	3.0
249.18483	18.2
257.18973	4.4
275.20032	100.0
293.21094	12.7
311.22198	21.9
346.13565	4.2
346.19958	30.6
348.05728	2.4
362.15909	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03440	6.2
67.05513	56.7
69.07078	26.7
71.04996	3.5
79.05510	24.9
81.07061	64.3
83.04967	3.5
83.08620	18.0
85.06553	4.9
91.05492	28.3
93.07043	43.5
95.04918	3.9
95.08607	43.9
97.06532	14.0
97.10158	15.4
105.07043	22.8
107.08600	32.2
109.06516	5.7
109.10162	45.9
111.08033	4.9
117.07011	6.9
119.08575	32.7
121.10139	23.9
123.08030	7.2
123.11710	5.8
125.09634	7.3
131.08566	19.5
133.10147	39.1
135.08064	4.6
135.11693	21.5
137.09663	7.9
145.10091	6.8
147.11694	22.3
149.09628	6.7
149.13266	21.6
155.10718	20.1
159.11671	26.4
173.11765	39.9
173.13232	6.1
182.00638	5.0
195.13849	55.0
196.42651	4.0
213.14838	61.3
235.16820	6.4
254.41055	3.5
275.20053	100.0
293.21191	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.8
57.07094	7.6
58.06608	7.5
67.05508	48.5
69.03436	8.9
69.07061	28.1
71.04990	7.5
79.05488	30.1
81.07068	85.3
83.08620	31.8
86.09702	5.6
91.05470	37.5
93.07052	63.8
95.04971	7.8
95.08598	55.3
97.06535	11.4
98.06068	26.3
105.07027	28.6
107.08615	63.4
109.10157	14.1
111.08133	6.0
117.07049	11.7
119.08569	43.5
121.06503	65.3
121.10168	55.1
122.06834	28.7
123.08102	6.5
131.08533	27.0
133.10117	31.5
135.11703	25.8
137.09604	9.4
145.10127	7.5
147.11736	23.8
149.09630	8.2
149.13229	7.8
155.10667	6.5
159.11710	23.5
161.13268	8.0
163.11099	9.0
173.13168	9.6
189.16298	7.2
195.13835	24.9
199.14827	6.8
213.14868	39.0
235.16917	87.2
253.18092	24.3
257.18884	8.1
275.19995	100.0
291.78107	6.2
293.21042	40.2
303.38364	7.4
319.09906	6.5
321.11807	12.8
322.10776	10.4
328.07040	10.5
334.10873	12.5
346.11456	14.5
346.20020	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79493	0.6
62.95423	0.5
71.50227	0.6
76.15271	0.6
81.07043	0.6
84.24636	0.8
85.21725	0.6
86.09715	1.3
87.44738	0.7
88.55743	0.7
88.74105	0.6
107.64775	0.6
127.10441	0.6
151.74910	0.8
160.85487	0.8
162.13763	0.6
168.65918	0.7
281.91165	4.3
322.91342	1.6
346.27176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89621	1.2
53.59440	1.1
61.99971	1.3
74.06273	1.2
74.18279	1.4
93.07070	1.7
102.03968	1.5
103.39812	1.5
134.14642	1.5
295.22244	1.7
346.27164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2714
Annotation	Himbacine
Peak:m/z	Relative Intensity
51.97005	1.0
57.07755	1.0
57.26030	1.1
62.80614	1.3
65.52654	1.0
74.88371	1.1
75.50130	1.2
77.09219	1.1
77.17068	1.2
79.86470	1.2
88.07610	1.5
143.10416	1.2
151.27910	1.3
245.54343	1.3
284.29572	1.8
346.27145	100.0
346.33261	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07066	1.9
93.03078	1.2
95.08597	1.3
95.23392	1.1
119.08620	1.4
174.56001	1.2
284.29446	2.8
346.27191	100.0
346.33261	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2715
Annotation	Himbacine
Peak:m/z	Relative Intensity
60.48300	0.9
67.05510	1.4
95.08587	1.3
100.96600	1.1
120.76405	1.3
125.12193	1.2
190.23837	1.2
222.89807	1.7
240.90808	2.7
262.78278	1.4
263.90149	1.5
281.91223	27.3
322.91486	13.1
346.27133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
56.05052	9.0
57.07083	9.9
58.06596	6.4
59.48409	0.8
60.04544	1.6
67.05505	4.3
69.07079	10.3
71.08630	5.7
74.06075	10.9
79.05511	1.3
81.07058	8.9
81.20470	0.8
83.08625	8.4
85.10182	2.3
88.07632	20.4
91.03867	1.1
93.07031	3.8
93.63192	1.1
95.08605	9.2
97.06522	1.5
97.10180	6.3
107.08611	4.0
109.10188	4.9
110.68287	1.1
111.11705	1.0
113.08110	1.0
118.08651	8.1
121.10141	9.7
122.08158	8.5
123.11730	4.2
135.11632	7.0
145.91309	0.9
149.13272	2.1
171.18497	1.0
177.16331	1.0
184.03458	0.9
186.63116	1.0
219.21053	4.6
223.96143	1.0
229.85468	1.1
237.22107	4.3
244.57126	1.1
254.24869	8.7
280.66702	1.1
298.31036	58.1
311.25690	2.0
312.44894	1.0
325.61911	1.0
328.32117	4.3
346.29404	49.7
346.33185	100.0
358.32605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
57.03444	7.1
57.07067	6.4
59.92776	1.5
60.04531	31.8
64.79525	1.6
67.05499	10.1
69.07061	8.5
71.08629	3.6
79.05497	7.0
81.07074	13.5
83.04998	2.0
83.08633	3.2
85.33588	1.6
86.06062	10.4
86.09711	2.2
88.07649	2.2
93.07047	12.6
95.08612	13.3
97.10184	4.2
101.06032	100.0
101.87151	1.6
107.08617	7.7
109.10174	6.8
121.10138	8.0
163.71725	1.8
200.04346	1.7
254.28453	4.0
264.26849	2.6
265.25296	11.5
280.26141	2.4
282.27829	24.3
292.26379	8.4
294.16928	2.0
300.28900	11.4
310.27420	12.1
328.28461	43.7
346.29486	26.3
346.33356	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80876	0.6
55.05500	0.7
57.07083	4.1
57.26177	0.5
58.06616	0.6
60.04523	3.6
63.31500	0.6
70.06599	7.6
71.08633	3.7
84.04539	0.6
85.10182	2.6
88.07632	20.8
93.07038	0.8
95.08640	0.8
102.09179	12.5
124.94656	0.6
132.10196	1.0
146.11703	0.9
158.27844	0.6
236.00491	0.7
282.27859	1.2
284.29477	70.1
300.28705	0.7
304.45520	0.7
310.27524	0.8
328.28357	3.0
328.32089	4.1
346.33160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54453	0.5
57.07085	4.2
70.06598	7.8
70.52217	0.4
71.08624	2.9
71.58474	0.5
85.10183	1.0
88.07120	1.0
88.07630	22.1
88.67936	0.6
91.43475	0.5
95.32864	0.5
102.09187	12.7
105.31178	0.5
112.44695	0.5
132.10233	0.7
137.17471	0.6
144.54706	0.5
198.51501	0.5
240.26851	2.1
284.29468	66.6
328.32074	5.4
346.27124	14.9
346.33148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73108	0.4
55.05507	0.4
57.07082	4.6
58.06610	1.0
58.29409	0.4
60.14171	0.5
70.06593	7.4
71.08630	2.9
75.93176	0.5
85.10188	0.9
88.07630	21.6
93.09014	0.5
102.09172	13.8
105.28793	0.5
105.97823	0.6
109.74427	0.5
126.52743	0.5
132.10207	0.7
146.11742	0.6
150.11281	0.9
208.16299	0.6
240.26782	3.2
266.28577	0.6
284.29462	69.7
328.31989	4.2
346.27133	25.0
346.33105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18713	0.5
50.37078	0.4
57.07086	5.1
69.47935	0.5
70.06591	7.6
71.08611	2.2
71.35411	0.4
72.11525	0.4
85.10155	0.6
86.00724	0.5
88.07629	24.0
102.09184	11.9
108.42893	0.5
150.11244	0.9
154.52542	0.6
193.25128	0.5
240.26834	1.0
269.54834	0.6
284.29480	70.6
328.32047	5.0
346.33148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34159	0.6
57.07087	4.6
62.28591	0.6
70.06588	9.4
71.08622	2.7
85.10189	1.4
88.07632	23.7
102.08569	0.8
102.09199	12.3
104.19524	0.6
146.11749	0.7
150.11259	1.0
152.74538	0.7
167.68126	0.7
272.21066	0.7
284.29477	75.3
328.32053	4.8
346.33145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54209	0.6
57.07080	4.5
57.36138	0.5
70.06601	7.3
71.08624	2.2
85.10176	0.8
86.67977	0.6
88.07627	23.8
102.09184	15.6
132.10179	1.0
145.98854	0.6
146.11728	0.8
150.11249	1.0
181.13048	0.6
284.29462	73.0
324.59225	0.6
328.32037	6.2
346.33136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0846
Annotation	Artochamin B
Peak:m/z	Relative Intensity
54.26551	0.9
55.36236	0.9
56.58929	1.0
73.44788	1.1
82.42995	1.0
84.95968	1.1
106.93661	1.3
109.11716	1.1
112.27858	1.1
118.55929	1.4
121.44318	1.1
129.05125	2.4
173.04097	4.8
185.03127	1.3
188.39906	1.3
191.05106	2.3
197.02945	1.9
227.03934	1.1
241.06718	5.3
269.05878	1.3
275.06122	1.8
329.07608	14.0
330.05652	3.6
333.06134	1.2
334.39816	1.2
347.08633	100.0
347.12164	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43515	1.3
104.11887	1.5
124.38153	1.6
129.05118	3.5
135.60777	1.7
136.04491	2.3
140.72388	1.4
141.33505	1.4
153.38280	1.8
162.26593	1.6
162.98039	1.4
172.04543	3.0
173.02754	1.9
173.04106	11.0
191.05133	6.2
198.06113	6.3
215.05225	3.5
225.06995	1.7
226.05569	6.2
241.06689	12.8
243.04533	2.1
269.06216	2.7
275.28720	1.8
294.04636	2.3
329.07730	13.9
330.06091	2.2
347.00015	2.7
347.08893	100.0
347.34537	1.5
360.30490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.92516	0.7
57.59555	0.7
58.06601	1.0
63.96540	0.8
70.14953	0.8
74.93491	0.7
85.02880	1.0
86.06031	0.8
97.75151	0.8
99.04462	1.0
172.85556	0.9
179.80200	0.9
193.07649	5.1
195.09183	11.7
197.07127	1.2
205.07645	0.9
206.08380	5.8
207.09171	1.1
210.07809	1.7
211.06783	1.7
211.08659	35.6
213.06552	1.7
219.09193	5.2
221.07112	6.3
222.07822	5.3
223.08664	4.1
224.09442	1.8
234.07782	0.9
235.08678	5.6
237.10262	4.1
239.08144	17.8
240.08928	1.3
241.06181	2.1
242.88771	0.8
247.08656	9.5
251.08195	1.6
265.09680	10.6
275.08185	6.1
283.10770	20.2
293.09140	17.3
301.11816	29.5
311.10266	31.3
329.11325	27.4
347.12354	100.0
347.15854	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.09438	0.8
53.22683	0.7
58.06612	11.3
59.06924	1.5
64.34440	0.8
67.26150	0.8
73.04214	0.7
79.86061	1.0
80.67797	0.8
86.92999	0.8
99.72842	0.9
123.04472	1.6
135.52307	0.9
152.88411	1.0
167.03391	12.8
185.07063	15.8
209.06267	1.0
214.08746	1.1
226.11028	5.9
228.81909	1.0
254.10513	4.7
255.11288	5.5
260.09131	1.3
272.09143	10.0
283.10852	4.4
300.08667	18.4
301.11826	100.0
329.11270	11.7
330.09622	11.0
340.37921	0.9
347.12363	84.7
347.16714	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50575	2.3
59.09474	2.6
62.34070	2.5
67.05502	4.2
73.67329	2.6
81.07056	6.6
91.05459	2.9
93.07043	4.6
107.08589	3.1
117.06992	3.4
119.08564	3.9
121.06474	5.1
133.10107	3.1
135.08081	5.0
161.16077	3.2
223.09320	5.1
236.75552	2.8
274.09064	2.9
301.23605	16.6
347.18613	100.0
347.25635	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15337	0.6
51.68349	0.5
53.16882	0.5
58.06585	0.5
60.27829	0.5
61.14933	0.5
65.63392	0.6
73.30119	0.5
81.07056	0.9
97.73505	0.6
107.08669	0.9
117.91882	0.5
119.08598	0.6
120.45515	0.6
121.10184	0.6
131.08537	0.6
180.00154	0.5
218.69553	0.6
264.08936	18.6
264.11502	0.9
273.18716	0.9
277.09760	0.6
279.11267	100.0
281.10239	0.6
347.17548	48.2
347.21634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96781	1.0
67.05497	1.9
79.05479	1.9
79.71944	1.0
81.07058	4.9
91.05477	2.0
95.04951	1.9
95.08624	1.8
98.76186	1.1
105.07004	1.3
107.08591	2.5
114.91724	1.0
119.08573	2.5
120.88035	1.1
133.10120	1.7
135.08037	5.2
161.09637	1.2
177.12700	5.0
187.07391	1.3
219.76726	1.2
297.21472	1.3
301.19128	1.6
306.70013	1.3
308.31232	1.4
314.85852	1.4
320.11176	1.3
329.18509	12.9
347.18277	100.0
347.25742	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1824
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
50.68683	1.5
56.96558	1.7
56.99926	1.5
67.05498	2.1
67.31557	1.7
81.07040	4.0
83.83417	2.0
91.05473	2.2
93.07037	2.1
107.57571	1.8
109.10160	2.0
116.54677	1.7
117.11183	1.6
119.08536	2.8
121.10195	2.1
132.06413	1.9
209.04517	2.1
223.09410	11.5
347.18585	100.0
347.22552	3.9
351.25873	1.9
365.16428	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	1.6
56.13686	1.3
68.93636	1.3
69.48756	1.5
79.05452	1.7
81.07056	1.9
87.27013	1.5
91.23664	1.6
93.07090	2.2
95.08608	2.4
107.08581	2.2
109.06518	6.7
145.10069	1.5
151.07594	1.6
177.12737	2.0
228.76944	1.7
263.20059	100.0
347.19778	14.5
347.26938	24.8
347.33414	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95718	0.8
67.05502	0.9
68.66200	0.7
69.03397	0.8
69.07061	1.6
71.06118	1.2
80.05000	1.3
81.03419	8.8
81.04540	3.7
81.07061	2.0
83.08628	4.3
85.02923	0.9
87.08104	0.8
91.05495	1.1
93.07050	1.5
95.04965	5.0
95.08634	1.0
99.04432	3.5
99.05544	1.2
100.50562	0.8
105.07050	1.1
106.30797	0.8
111.08089	1.8
119.08607	1.7
121.10081	1.0
133.10066	0.9
147.04485	1.2
147.11679	1.8
149.09613	2.2
150.12724	1.3
157.10165	1.6
175.11209	1.7
182.15350	8.1
191.15408	3.8
192.13852	4.1
193.12131	12.0
194.11775	2.2
210.14906	8.5
210.45291	0.9
219.14909	18.4
220.13283	1.1
226.08609	1.3
237.15996	3.2
241.09750	1.4
258.17117	1.1
267.15918	1.9
267.51395	1.0
285.17661	3.5
301.11905	1.5
311.19601	4.5
329.20743	14.0
347.12744	11.1
347.21765	100.0
363.94138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2189
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05519	0.9
61.09185	0.8
75.84904	0.9
81.07042	1.4
88.38932	0.8
90.40916	0.9
93.07041	1.1
118.87830	1.2
128.90192	0.9
135.08051	6.0
162.73628	0.9
177.12697	1.9
274.06500	1.0
329.24847	1.4
347.21948	100.0
347.25833	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
67.05511	1.7
67.58824	1.2
68.07291	1.0
70.80904	1.0
81.07060	2.8
83.08564	1.2
83.20273	1.1
93.07043	1.4
95.08608	1.9
107.08574	2.0
121.10089	1.3
130.35382	1.2
135.08101	1.4
139.55959	1.1
160.28508	1.1
160.55850	1.3
306.21268	1.6
332.56485	1.2
347.21948	100.0
347.27328	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
55.01893	3.4
55.05515	11.2
57.03184	4.2
57.03445	84.2
58.00011	2.4
60.52671	2.3
67.05505	20.5
69.07054	5.9
75.92644	2.7
78.44690	2.7
79.05501	24.7
81.07047	21.2
81.57848	2.7
83.08634	4.3
83.28069	3.0
85.06550	13.2
91.05480	45.6
93.07059	26.9
95.04939	4.0
95.08608	16.2
103.05487	2.8
105.07053	28.0
107.08601	19.7
109.06520	29.1
109.10151	5.7
111.08105	3.1
114.67591	2.7
117.07030	27.8
119.08591	23.4
121.06490	5.5
121.10146	5.5
123.08030	4.1
129.07010	21.3
131.08571	36.9
133.10118	15.9
135.08064	16.8
135.11705	4.0
143.08591	19.0
145.06448	3.5
145.10141	30.7
147.08073	22.7
149.09587	3.8
149.13365	3.6
155.08528	3.8
157.10106	20.4
159.07921	4.9
159.11685	13.2
161.09619	5.8
171.11729	6.4
173.13203	5.3
175.11156	6.2
183.11679	4.4
183.21733	3.2
199.14838	6.6
201.12793	5.4
217.06859	12.2
217.15948	26.5
223.30939	3.7
228.28490	3.3
255.17427	12.2
273.18475	33.6
291.19397	5.2
319.10385	4.2
347.12924	12.1
347.18256	28.5
347.22156	100.0
347.26370	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2215
Annotation	(-)-Chimonanthine
Peak:m/z	Relative Intensity
55.05519	3.6
57.03442	70.3
63.81866	2.2
67.05517	28.0
67.53742	2.5
67.75284	2.3
69.07061	4.1
75.45045	2.8
79.05499	17.1
81.07079	18.8
85.06544	11.1
91.05482	37.7
93.07067	20.5
95.04967	10.5
95.08611	23.0
97.06536	4.1
105.07048	31.9
107.04953	6.2
107.08614	15.3
109.06494	26.4
109.10157	6.4
111.08091	4.0
117.06995	30.7
119.08569	17.4
121.10113	4.0
123.08082	4.2
129.06999	14.9
131.08556	28.6
133.06525	3.1
133.10124	17.3
137.09598	5.2
143.08542	15.8
143.99992	2.8
145.10172	21.2
147.08032	11.0
147.11702	4.4
149.09621	20.1
157.10112	24.1
159.11678	11.8
161.09554	19.4
171.11685	6.7
173.13213	3.8
175.11264	3.2
199.14845	4.4
201.12715	4.2
207.13809	6.6
217.15880	5.1
237.16248	6.4
237.43483	2.6
255.17447	11.1
257.73312	3.0
273.18521	21.7
301.47314	3.1
345.55399	2.8
347.18280	51.3
347.22174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2212
Annotation	(-)-Chimonanthine
Peak:m/z	Relative Intensity
53.12910	3.7
53.29652	3.5
55.01887	5.7
55.05515	11.5
55.27813	4.1
57.03445	78.4
67.05501	29.8
69.07053	11.5
71.04969	3.9
79.05482	31.0
79.90612	4.4
81.03371	5.6
81.07066	39.3
85.06549	10.0
91.05471	61.1
93.07036	33.0
95.04963	7.8
95.08585	30.9
97.06532	8.2
97.10137	5.2
97.17316	3.9
105.07031	29.4
107.04953	8.8
107.08569	31.4
109.06508	40.7
109.10133	8.5
115.93958	5.0
117.06998	35.2
119.08603	43.5
121.06502	5.7
121.10150	9.2
122.06833	5.2
123.08043	5.9
129.06996	11.1
131.08545	37.2
133.06471	7.0
133.10120	18.0
137.09677	5.8
143.08591	9.2
145.10123	30.3
147.08064	26.7
147.11682	10.5
157.10097	29.4
159.11725	19.2
161.09589	21.1
164.25497	4.6
171.11653	20.0
173.13239	8.4
175.11182	7.7
183.11720	8.9
201.12781	7.8
217.15851	23.7
237.16179	7.8
273.18497	35.4
291.19522	8.0
333.05692	5.2
347.18283	46.2
347.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92828	2.2
57.03440	6.6
67.05511	5.9
71.04978	3.4
79.05495	6.2
81.03420	2.7
81.07043	27.2
91.05463	15.5
93.07031	17.1
95.08584	23.7
97.06491	3.2
105.07019	24.5
107.04932	4.4
107.08585	24.7
109.06518	11.1
109.10139	6.5
111.08085	15.4
117.07018	20.5
119.08573	23.7
121.06486	12.5
121.10150	15.2
123.08064	3.2
123.11697	2.9
128.06194	3.3
129.07031	6.5
131.08565	26.8
133.06487	5.1
133.10135	18.1
135.08006	12.1
135.11636	4.5
136.95088	2.7
143.08559	31.1
145.10135	29.1
147.08038	12.5
147.11678	19.2
149.09608	5.0
151.11151	3.7
155.08597	12.7
157.10107	42.6
159.11693	16.1
161.09584	11.0
169.10139	11.4
171.11674	15.9
173.13165	2.9
175.11134	5.7
181.10063	4.1
183.11697	14.8
185.09607	4.7
185.13269	5.5
187.11221	3.3
189.12781	4.7
195.11638	12.9
197.13281	5.5
199.14847	5.6
201.12746	6.1
209.13318	12.4
211.11118	2.7
211.14850	5.9
213.12741	4.0
223.14879	11.4
225.12704	5.1
227.17896	6.1
231.13850	6.2
233.13196	3.0
237.12587	4.4
237.16487	4.5
241.15761	6.2
249.16406	5.7
253.15846	5.4
253.19434	4.6
269.19156	3.5
273.18542	11.8
283.20563	19.3
293.18958	63.2
297.22015	4.0
311.16461	4.0
311.20035	100.0
311.23486	4.8
329.21124	5.1
329.24780	16.6
347.18124	24.4
347.22501	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2304
Annotation	Lys Leu Ser
Peak:m/z	Relative Intensity
52.41905	0.5
54.00663	0.6
54.31883	0.5
58.06593	0.7
65.12151	0.6
78.62023	0.7
100.58983	0.6
115.55881	0.7
127.55840	0.7
158.86272	0.7
202.76430	0.7
253.88435	0.7
338.75241	0.7
347.23050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2578
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
55.05516	12.1
57.07077	4.9
59.13898	2.1
60.22620	2.7
65.09106	2.4
66.28254	2.3
67.05497	3.8
69.07067	15.4
77.88812	2.8
78.82800	2.6
79.05481	4.0
81.07063	15.9
81.61034	2.7
83.04980	5.0
83.08620	4.1
93.07032	10.7
95.08603	16.8
105.07042	3.3
107.08589	17.5
109.10133	4.8
112.10054	2.5
115.90830	2.6
119.08591	10.2
121.10104	6.0
123.08044	4.7
129.09109	3.0
131.08536	3.7
133.10100	17.0
135.08051	46.4
135.11664	6.2
143.08594	5.1
145.10107	3.7
147.11678	5.2
149.09624	10.3
157.10106	3.8
159.11690	12.8
161.09592	10.4
171.11728	3.8
173.13248	4.7
175.11220	4.8
177.12733	32.6
189.12785	18.0
191.14275	4.2
301.25168	5.8
329.24704	91.2
347.22070	9.4
347.25815	100.0
347.30008	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2578
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
50.44788	2.3
50.88086	2.3
55.05515	2.8
57.07086	100.0
59.89711	2.0
62.01382	2.0
67.05505	5.4
69.07058	6.3
72.67019	2.5
81.07046	10.8
85.06549	67.9
89.65125	2.5
93.07046	6.2
95.08610	13.7
105.07068	4.0
107.08613	21.3
109.10213	5.0
117.07001	2.7
119.08613	5.7
121.10158	5.4
123.08093	12.8
123.11655	3.6
123.59613	2.5
133.10176	4.6
135.08061	4.8
135.11647	4.0
137.09515	3.3
145.10143	4.6
149.09615	5.4
159.11652	4.1
165.12650	2.8
169.35582	2.5
177.12762	3.2
191.14297	2.8
229.27869	2.8
245.18987	41.7
263.20065	32.9
267.90479	2.7
310.56439	3.0
319.26218	2.9
327.06973	3.1
329.24741	19.7
347.25800	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2571
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
52.08866	1.9
55.05504	3.4
57.07098	2.7
64.47196	2.1
67.05485	10.9
69.07034	9.3
79.05488	3.3
81.07033	15.4
83.04942	4.0
83.08599	3.2
91.05450	5.3
95.08569	3.4
105.07038	3.8
107.08574	11.1
109.06482	2.4
109.10146	3.5
119.08580	8.6
121.10097	10.8
123.08051	5.0
123.11662	3.7
129.25905	2.7
133.10104	11.4
135.08028	25.4
145.10074	3.7
147.07986	5.2
147.11575	3.5
149.09566	5.7
149.13333	2.9
151.11215	3.3
157.10159	4.0
159.11752	3.0
161.09515	11.4
161.32245	2.4
161.89453	2.5
165.12657	2.3
166.93071	2.6
173.09563	3.1
175.14813	3.9
177.12683	11.3
179.14240	2.9
185.13216	3.7
191.14302	18.7
203.14203	10.7
217.15967	3.2
293.24225	2.4
301.25143	11.8
329.24655	100.0
347.21939	6.3
347.25729	62.2
347.29584	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2577
Annotation	(6E)-2alpha,9alpha-Epoxyeunicella-6,11(12)-dien-3beta-ol
Peak:m/z	Relative Intensity
50.71847	1.0
53.00331	1.0
54.81659	1.3
55.01875	2.4
55.05499	8.1
56.62523	1.2
57.07082	10.1
62.63190	1.2
63.74094	1.1
67.05505	19.5
69.03426	1.4
69.07079	18.9
79.05453	7.3
81.06624	1.9
81.07060	27.9
81.80041	1.6
82.84660	1.4
83.08578	5.8
85.06504	3.2
88.25873	1.2
91.05450	6.3
92.39357	1.4
93.07040	20.9
95.08616	21.5
97.06500	3.0
97.10139	1.5
99.08075	1.7
99.26958	1.4
104.54704	1.3
105.07012	8.3
107.08594	15.0
109.06499	8.6
109.10134	7.0
111.04429	2.2
111.08089	1.5
111.11686	6.2
111.82337	1.3
119.08544	7.4
121.10136	12.6
123.08032	6.1
123.11683	3.3
131.08545	3.2
133.10098	7.3
135.07986	5.9
135.11668	9.9
137.06006	22.1
137.13170	1.4
145.10150	2.5
145.24380	1.3
147.11612	6.1
149.09628	2.3
149.13208	6.6
151.07494	5.2
151.11143	1.9
159.11661	1.6
161.09628	2.2
161.13196	2.4
163.54984	1.2
173.13210	1.9
175.14723	3.3
177.12727	2.5
177.16386	1.4
179.14275	1.6
221.18806	2.0
263.19986	1.8
266.09512	1.9
287.23865	1.7
303.26303	1.3
305.24710	25.3
319.26233	3.3
329.25092	2.5
347.25839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2579
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
52.14541	2.0
55.01883	4.1
55.05521	13.9
57.03452	4.6
57.07076	4.8
59.66205	1.7
66.10912	2.3
67.05506	34.7
69.07076	75.7
71.05003	5.3
72.96992	2.1
77.90791	2.0
79.05503	33.1
81.07071	30.8
81.60080	2.1
83.04965	7.8
83.08641	17.1
85.06549	3.8
88.73621	2.4
89.39783	2.2
91.05461	3.9
93.07050	63.5
95.08612	22.8
97.06543	24.8
105.07042	9.2
107.08615	78.6
109.06544	3.8
109.10167	16.6
111.08072	12.9
111.11700	2.6
119.08577	8.8
121.06462	2.7
121.10148	13.9
123.08086	11.8
133.10127	5.2
135.08063	15.1
135.11693	50.5
137.05989	9.7
137.13258	3.9
145.10118	9.4
147.11731	4.0
149.09605	15.4
149.13277	25.7
153.12758	13.2
159.11728	3.4
161.09604	3.3
165.12753	34.4
167.14311	99.6
177.12714	2.7
181.12270	9.9
185.13649	3.0
191.14282	9.8
199.13229	2.5
217.14342	24.3
245.18965	3.9
259.20578	2.7
301.25211	9.6
306.14645	3.6
310.64014	2.6
319.26248	12.2
329.24844	44.8
347.21805	4.9
347.25848	100.0
347.30109	4.7
347.80292	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2579
Annotation	(6E)-2alpha,9alpha-Epoxyeunicella-6,11(12)-dien-3beta-ol
Peak:m/z	Relative Intensity
52.31078	1.4
52.91778	1.2
54.49291	1.5
55.05510	2.5
57.07083	100.0
59.76888	1.6
63.81527	1.4
67.05501	7.0
69.07068	9.0
73.74868	1.7
74.42301	1.5
79.05500	2.9
81.07059	6.7
83.08614	6.4
85.06546	60.8
86.83852	1.7
93.07056	7.4
95.08614	9.9
103.35690	1.7
104.64769	1.6
105.07007	2.8
107.08575	17.3
109.10171	2.2
111.08058	2.2
119.08578	9.3
121.10161	12.0
123.08098	12.7
124.01981	1.7
133.10150	2.8
135.08070	6.9
135.11702	6.4
137.09624	3.6
145.10127	3.1
147.11690	3.1
149.09630	3.5
177.12727	2.0
191.14178	1.8
194.50537	1.6
202.45879	2.0
217.19565	3.8
220.54671	1.8
245.18964	40.4
263.20093	38.8
306.77191	2.0
319.26343	6.8
329.24658	16.9
347.18475	21.0
347.25787	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2577
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
53.00312	1.3
55.05515	4.3
57.07082	100.0
67.05505	4.9
69.07072	7.8
71.31623	0.7
79.05491	4.3
79.25762	0.8
79.43191	0.7
80.38036	0.8
81.07060	7.5
83.08605	4.9
85.06544	67.2
90.67788	0.9
91.05480	2.1
93.07025	9.3
93.91579	0.9
94.66685	0.7
95.08614	7.2
105.07020	2.0
107.08598	21.1
109.06532	1.0
109.10178	3.9
109.95959	0.8
111.08076	3.8
119.08563	7.9
119.74811	0.8
121.10154	9.8
123.08060	12.2
123.11705	1.9
127.33424	0.8
128.96326	0.8
131.08618	1.1
133.10156	5.6
135.08061	5.3
135.11671	8.9
145.10130	3.3
147.11707	4.2
149.09583	4.7
149.13243	3.4
151.11230	1.9
157.10106	1.0
158.43468	0.9
159.11685	2.1
161.09581	1.1
161.13286	1.5
165.12704	1.7
166.39842	1.0
169.45016	0.9
177.12756	2.0
179.14331	1.6
189.12767	1.3
191.14220	1.5
195.13814	3.6
217.19580	4.0
227.48195	1.1
235.20616	5.7
245.18977	38.1
252.23882	0.9
252.47034	0.9
261.18475	1.2
263.20032	41.4
282.02219	0.9
285.88760	0.9
294.03915	0.8
301.25293	1.1
319.26419	3.5
329.17050	0.9
329.24661	14.8
333.01544	0.9
347.18320	6.1
347.21875	1.4
347.25827	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2581
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
53.64291	1.2
55.05525	1.8
67.05503	8.3
69.07066	10.5
69.77516	1.2
70.39326	1.2
71.08618	1.6
79.05485	3.0
81.07079	2.5
83.08582	1.9
93.07027	8.7
95.08591	3.2
100.11393	1.5
103.28613	1.6
107.08585	5.5
109.10184	1.3
133.10120	1.7
135.08067	1.9
135.11671	8.2
137.05949	1.6
145.10223	1.3
153.12718	1.7
165.12737	1.5
179.14319	8.2
193.12245	100.0
193.14012	3.3
205.15858	5.7
214.49001	1.3
215.14775	1.6
221.15451	2.1
222.70599	1.5
310.06775	1.4
319.26202	6.2
339.26303	1.4
347.25809	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2579
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
55.01861	1.1
55.05519	1.3
57.93863	0.5
63.57517	0.5
67.05489	1.1
69.07076	4.5
71.04974	1.3
79.05489	0.8
81.07052	3.7
81.72637	0.6
83.04981	1.3
83.08622	0.8
83.91969	0.6
86.09725	0.6
89.52955	0.6
91.05479	0.8
93.07056	1.3
95.08588	1.5
97.06518	3.1
105.07016	1.2
107.08609	1.4
109.06522	1.5
109.10112	1.1
119.08603	2.3
121.10138	0.8
123.08089	0.9
123.11652	0.8
133.10114	1.1
135.08057	74.2
135.11620	0.9
145.10045	0.8
147.11711	0.8
149.09616	3.0
149.13274	0.6
159.11723	1.2
161.09613	3.4
177.12737	74.7
190.13512	1.3
191.14268	2.9
199.14940	0.7
212.95804	0.7
213.09064	1.2
232.73109	0.8
241.08592	1.1
243.10167	0.8
245.11620	1.0
276.46085	0.8
291.19492	0.8
315.15759	1.4
329.17471	1.5
329.24805	0.8
347.18445	8.9
347.22089	8.1
347.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44739	3.3
55.05519	8.0
56.05826	3.9
57.03424	5.8
65.23174	3.5
67.05512	40.9
68.05827	17.0
69.07069	20.7
71.04990	7.3
79.05508	28.3
80.05832	9.4
81.07058	59.6
82.07400	19.5
83.04980	9.1
83.08614	18.9
84.08949	4.4
85.06539	8.6
88.43903	3.6
91.05476	20.4
92.05786	7.1
93.07060	50.5
94.07388	20.6
95.04997	6.8
95.08604	44.5
96.08926	16.7
97.06526	7.4
97.10153	7.1
105.07037	35.8
106.07361	8.3
107.08607	33.7
108.08906	20.3
109.06490	7.8
109.10155	18.6
110.10456	7.8
111.08081	4.8
117.07023	21.0
119.08566	31.1
119.80388	4.2
120.08903	18.6
121.10183	37.8
122.10472	24.9
123.08040	7.3
123.11757	5.7
126.91556	4.2
131.08537	19.0
132.08885	10.5
133.10143	30.4
134.10475	24.8
135.08023	8.0
135.11690	8.5
136.11995	7.5
143.08536	17.8
145.10086	7.0
146.10486	5.4
147.11690	28.1
148.12022	4.9
150.13606	5.8
155.08649	4.1
157.10146	9.0
159.11639	4.8
161.09615	4.2
173.13184	7.2
174.13542	6.8
177.12784	6.7
178.13068	4.9
190.16658	5.4
196.14099	9.1
211.11171	5.1
213.14836	22.0
214.15198	25.9
218.16199	5.1
235.14746	5.6
235.16936	20.4
236.17256	90.7
254.18307	23.4
258.19415	6.6
276.20386	100.0
277.86734	4.4
293.19012	6.1
294.21420	32.5
310.49738	4.3
311.20139	30.3
329.24588	5.6
343.05768	4.1
347.13177	3.8
347.18173	28.9
347.22113	16.4
362.70728	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87645	1.0
55.01009	1.1
55.05514	2.4
56.05034	1.2
67.05516	9.8
69.07077	3.2
78.33980	1.3
79.05482	2.8
81.07049	10.2
83.08607	1.4
86.09676	1.5
91.05479	1.9
93.07034	3.0
95.06071	6.8
95.08592	7.5
96.06853	1.5
97.07629	1.4
97.60025	1.1
100.31703	1.3
105.07067	1.7
107.08587	5.5
109.07634	3.2
109.10181	2.6
119.08552	1.9
121.10117	2.3
123.09192	3.0
124.09942	2.1
125.10737	6.5
128.79919	1.3
132.08109	1.3
133.10095	1.9
135.08101	1.7
135.11667	1.7
142.27875	1.3
147.11699	1.6
163.12218	1.7
164.13129	1.8
177.75691	1.3
203.81529	1.2
213.31833	1.4
304.15756	1.2
329.25812	7.8
347.26840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66307	1.0
57.07076	1.9
63.58860	0.9
63.59211	0.8
67.05483	1.2
69.83759	0.9
70.06589	2.1
71.60660	0.9
74.62112	1.0
76.38647	1.0
83.08614	1.4
88.07641	17.9
89.07978	4.6
97.49437	0.9
102.09190	9.6
103.09478	1.2
130.54123	1.0
132.10110	1.3
135.08072	8.1
140.80869	1.1
146.61287	1.1
170.71684	1.2
177.12738	9.6
187.75768	1.0
208.69183	1.1
241.27225	5.9
284.29657	7.9
285.29816	51.4
329.32266	4.7
347.27383	100.0
347.33469	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68881	0.6
53.00307	0.7
53.03954	0.7
55.01879	0.9
55.05519	14.5
57.07072	6.2
59.71099	0.6
67.05508	43.7
69.07069	28.2
70.06581	0.8
71.04966	1.0
71.08626	1.6
71.26640	0.7
72.04827	0.6
73.06596	0.7
77.70747	0.7
79.05495	16.7
81.07057	54.9
83.04989	3.1
83.08624	13.6
85.06529	4.7
85.10151	0.9
86.09663	1.0
91.05478	11.5
93.07040	30.3
94.06572	1.3
95.04961	1.1
95.06088	11.9
95.08605	46.1
96.06878	8.2
96.08134	1.5
97.06519	2.9
97.07652	2.6
97.10157	7.9
98.09689	1.1
99.08085	0.8
105.07030	12.8
106.06483	0.6
107.08592	31.0
108.08118	4.6
109.06519	4.5
109.07639	4.7
109.10155	22.9
110.08442	0.9
111.04432	0.7
111.08071	2.7
111.11719	1.1
117.07024	0.8
119.08563	11.8
121.10126	20.6
122.09663	0.9
123.08159	2.1
123.09196	5.7
123.11709	9.1
124.09974	4.5
125.10748	8.1
129.06956	0.9
131.08586	3.6
133.10123	11.0
135.08141	1.7
135.09149	1.3
135.10675	0.9
135.11696	14.8
136.09955	0.8
136.11159	0.7
137.05978	5.2
137.09680	1.1
137.10730	2.6
137.13268	3.8
138.12753	1.1
140.35217	0.8
143.08556	0.8
145.10107	4.5
146.09647	1.1
147.11659	5.7
148.11220	1.1
149.09668	1.2
149.10750	2.8
149.13226	9.1
151.11147	0.8
151.14873	0.9
157.10089	1.0
159.11716	1.7
161.09616	1.0
161.13231	4.6
163.12263	5.4
163.14760	6.1
164.13089	4.7
165.12749	0.9
171.11635	0.8
173.13246	1.2
175.14839	3.3
177.16400	1.2
181.88475	0.7
187.14888	0.9
189.16393	1.3
191.18007	3.0
195.13737	1.0
204.16283	0.8
205.19525	0.9
212.16449	0.9
221.16530	1.0
232.34459	0.7
237.15994	1.1
238.16748	0.7
239.17453	3.4
244.35503	0.7
245.22726	1.1
259.17963	0.8
260.18857	2.5
261.22217	0.8
263.20236	1.0
263.23679	5.4
273.38623	0.7
277.22076	0.8
278.19907	1.2
279.23203	1.1
287.23596	1.3
291.23291	1.2
302.27618	0.8
305.24744	11.4
319.26306	1.5
329.25754	10.1
330.24255	1.0
347.26202	100.0
347.30048	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2943
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
52.26730	5.0
52.95292	5.0
55.05513	11.9
56.90096	4.2
57.07099	5.8
58.48158	5.0
67.05516	53.8
69.07068	41.1
70.60538	5.6
71.08653	5.5
77.74012	4.9
79.05499	22.4
80.01722	4.9
81.07053	82.4
83.08611	20.5
91.05475	25.7
93.07049	44.6
93.51318	5.3
95.08603	73.5
97.10162	8.7
105.07040	6.5
107.08598	34.6
109.10161	36.4
119.08580	13.4
121.10140	27.6
123.11694	5.5
133.10156	12.7
135.11693	25.6
147.11635	6.9
149.13255	11.5
163.14830	6.0
263.23630	8.6
315.80438	7.2
336.23367	6.5
347.29370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00396	0.3
65.17032	0.4
82.90260	0.4
110.40060	0.4
123.02250	0.4
134.02081	0.5
262.05026	2.4
264.06482	0.7
278.64886	0.5
290.01669	0.4
290.04379	4.1
292.06036	12.1
318.04147	3.0
318.07291	0.6
320.05533	100.0
332.09247	1.7
348.05099	2.8
348.12354	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75018	0.2
58.06594	0.8
64.03005	0.2
69.03435	0.4
85.02911	2.3
86.09705	0.3
97.02895	7.9
119.04899	0.4
120.30015	0.2
123.04417	1.3
127.03909	0.4
135.05432	0.2
136.06189	100.0
136.86572	0.2
137.05928	0.2
141.76073	0.2
145.04965	0.7
146.86551	0.2
151.07513	0.9
169.04950	1.0
180.08684	0.3
192.99899	0.2
241.68542	0.2
331.10019	1.6
348.07031	12.4
348.10620	0.8
348.13907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0703
Annotation	Adenosine 3'-monophosphate From Yeast
Peak:m/z	Relative Intensity
58.06599	0.2
69.03439	0.3
85.73357	0.2
88.59623	0.1
97.02900	8.2
136.06195	100.0
153.64763	0.2
161.41713	0.1
163.15446	0.2
168.02409	0.2
168.03874	0.2
204.41310	0.2
250.09531	0.2
321.34280	0.2
330.91553	0.2
331.09891	0.3
348.07031	14.7
348.13831	0.6
348.18073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.3
56.98122	0.2
62.67201	0.2
69.03404	0.3
81.03416	0.2
85.02896	1.2
97.02894	7.6
100.99119	0.4
119.04977	0.3
120.88383	0.3
136.06181	100.0
151.07539	3.8
172.97559	0.3
190.98642	1.2
208.99657	1.0
214.04114	0.3
258.07742	0.3
274.10736	2.2
275.56195	0.3
284.09488	0.3
306.99728	1.0
348.07028	14.0
348.10825	1.8
348.14206	0.5
348.18710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0863
Annotation	Hydroxysanguinarine
Peak:m/z	Relative Intensity
53.00641	0.7
76.80093	0.6
86.97693	0.7
91.67232	0.9
92.20937	1.3
136.06181	1.5
190.04941	1.0
200.00902	0.7
202.92603	0.7
218.88547	0.8
261.07645	0.9
262.85703	0.9
272.56870	0.8
277.07410	1.0
289.07291	20.9
290.07941	1.8
292.06296	0.9
292.09671	4.4
304.06018	6.9
304.09634	4.5
305.06830	38.0
305.10358	1.5
318.04138	1.4
318.07584	6.6
319.08359	17.9
320.05508	1.8
320.09134	39.0
332.09146	8.0
333.06259	6.4
333.09973	2.4
346.07001	1.7
348.04926	100.0
348.08688	98.8
348.12280	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87797	0.5
63.11225	0.5
63.58869	0.5
78.18072	0.6
92.20945	1.2
290.08279	2.5
303.08908	0.7
304.09692	17.5
315.08865	4.5
316.09613	1.1
318.07629	20.9
332.09174	35.9
333.09937	24.6
348.12302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69144	0.5
50.86368	0.5
52.32294	0.5
68.64958	0.6
73.89916	0.5
85.88097	0.5
97.21552	0.5
107.47517	0.5
236.29230	0.6
277.32437	0.5
287.09265	0.6
290.08179	4.2
304.09689	15.1
310.58383	0.6
315.09027	2.2
316.09695	2.8
318.07645	16.6
320.09177	0.7
332.09155	23.1
333.09955	19.3
348.08795	6.1
348.12302	100.0
348.23093	5.4
348.27399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69144	0.5
50.86368	0.5
52.32294	0.5
68.64958	0.6
73.89916	0.5
85.88097	0.5
97.21552	0.5
107.47517	0.5
236.29230	0.6
277.32437	0.5
287.09265	0.6
290.08179	4.2
304.09689	15.1
310.58383	0.6
315.09027	2.2
316.09695	2.8
318.07645	16.6
320.09177	0.7
332.09155	23.1
333.09955	19.3
348.08795	6.1
348.12302	100.0
348.23093	5.4
348.27399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87797	0.5
63.11225	0.5
63.58869	0.5
78.18072	0.6
92.20945	1.2
290.08279	2.5
303.08908	0.7
304.09692	17.5
315.08865	4.5
316.09613	1.1
318.07629	20.9
332.09174	35.9
333.09937	24.6
348.12302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01878	2.0
57.03452	3.1
58.06605	1.6
61.02927	9.8
63.56506	1.4
63.72337	1.7
64.72317	1.3
65.72076	1.5
69.03434	16.3
71.04987	1.7
73.02933	2.8
81.03431	3.4
85.02911	100.0
85.15451	1.4
87.04469	2.1
88.03954	1.7
91.03974	2.8
96.21737	1.8
97.02877	16.7
99.04486	3.6
100.07795	1.6
109.02895	9.3
123.04430	73.6
127.03928	33.1
136.06203	7.1
145.04974	30.4
151.03838	3.4
163.06010	19.9
169.04938	30.3
180.08647	17.0
186.07660	3.8
240.51479	1.7
330.09473	2.9
332.18784	1.8
348.12900	9.1
348.16309	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96925	1.1
60.04549	1.3
61.02927	2.9
65.03935	1.3
69.03422	6.3
70.06573	1.6
72.08160	2.4
73.02913	1.4
74.06084	1.9
75.69795	1.2
78.98407	1.1
84.04495	2.2
85.02907	36.9
86.09694	9.4
87.04441	1.7
88.03979	1.7
91.03873	1.2
93.03387	6.5
95.04998	1.7
97.02911	9.3
99.04466	1.9
109.02873	1.9
111.04433	7.4
114.94753	1.2
115.03947	1.4
121.06394	1.4
123.04424	100.0
124.58764	1.2
125.06001	13.3
127.03925	13.0
136.06203	17.8
142.26668	1.5
145.04990	9.6
148.06070	1.6
151.03905	34.1
163.06042	1.8
167.07036	25.6
168.06567	2.8
169.04950	88.4
180.08592	9.1
185.09157	2.8
186.07542	2.1
186.09583	5.4
187.25121	1.3
330.15753	2.1
348.13693	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
61.02920	0.9
69.03434	3.1
79.78208	0.7
81.03409	0.8
84.04485	1.6
85.02909	19.5
87.04414	0.9
91.05474	4.5
95.04977	0.8
97.02882	6.3
109.02845	1.0
119.04932	5.3
127.03900	4.1
136.06163	0.7
137.05962	1.1
139.95135	0.8
145.04965	1.8
149.53406	0.8
151.07530	100.0
165.09027	1.1
169.08574	11.1
175.37950	0.8
180.08701	1.8
193.08611	1.4
205.61247	0.9
211.10539	0.8
277.10599	2.7
295.11658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1802
Annotation	Cephasugine
Peak:m/z	Relative Intensity
58.06607	54.2
70.55089	0.5
74.87070	0.5
77.60263	0.6
80.71709	0.5
105.55290	0.5
121.06515	0.6
137.06003	2.3
163.07550	0.9
167.44220	0.6
177.09093	1.0
236.29875	0.7
243.06400	1.0
256.03748	1.1
262.14301	1.1
271.05930	8.7
285.07718	0.8
285.11047	1.0
287.12747	0.8
303.12329	1.1
305.13797	4.5
319.15619	0.8
348.14502	7.7
348.18057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87000	0.9
56.05046	1.7
57.71214	1.0
58.06609	21.4
69.07079	1.1
70.06556	1.2
82.86840	1.1
86.06070	17.2
87.04458	12.7
93.07081	1.3
95.08616	1.3
96.01939	1.2
98.06058	19.8
98.06566	1.4
104.07177	1.9
106.07439	1.2
107.08595	2.2
109.10184	2.4
112.07639	2.0
117.05511	2.3
121.06581	1.4
121.10161	2.1
126.05486	8.8
133.10144	2.5
135.11736	1.3
137.06055	1.5
138.05505	10.7
138.09151	1.4
142.08772	1.6
149.09650	13.1
154.12253	12.7
162.48302	1.2
163.11252	7.7
166.12343	2.7
172.13329	30.8
174.07693	2.7
182.15497	2.2
183.12608	6.1
184.13423	6.6
191.10643	1.5
224.16553	2.3
232.15593	6.9
234.14943	2.5
252.15889	13.0
270.17090	9.7
274.06921	1.4
287.09204	2.9
288.18167	8.1
294.17169	6.2
302.17673	1.9
312.18103	1.8
330.09698	1.8
330.19244	2.4
348.13495	6.3
348.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87000	0.9
56.05046	1.7
57.71214	1.0
58.06609	21.4
69.07079	1.1
70.06556	1.2
82.86840	1.1
86.06070	17.2
87.04458	12.7
93.07081	1.3
95.08616	1.3
96.01939	1.2
98.06058	19.8
98.06566	1.4
104.07177	1.9
106.07439	1.2
107.08595	2.2
109.10184	2.4
112.07639	2.0
117.05511	2.3
121.06581	1.4
121.10161	2.1
126.05486	8.8
133.10144	2.5
135.11736	1.3
137.06055	1.5
138.05505	10.7
138.09151	1.4
142.08772	1.6
149.09650	13.1
154.12253	12.7
162.48302	1.2
163.11252	7.7
166.12343	2.7
172.13329	30.8
174.07693	2.7
182.15497	2.2
183.12608	6.1
184.13423	6.6
191.10643	1.5
224.16553	2.3
232.15593	6.9
234.14943	2.5
252.15889	13.0
270.17090	9.7
274.06921	1.4
287.09204	2.9
288.18167	8.1
294.17169	6.2
302.17673	1.9
312.18103	1.8
330.09698	1.8
330.19244	2.4
348.13495	6.3
348.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87000	0.9
56.05046	1.7
57.71214	1.0
58.06609	21.4
69.07079	1.1
70.06556	1.2
82.86840	1.1
86.06070	17.2
87.04458	12.7
93.07081	1.3
95.08616	1.3
96.01939	1.2
98.06058	19.8
98.06566	1.4
104.07177	1.9
106.07439	1.2
107.08595	2.2
109.10184	2.4
112.07639	2.0
117.05511	2.3
121.06581	1.4
121.10161	2.1
126.05486	8.8
133.10144	2.5
135.11736	1.3
137.06055	1.5
138.05505	10.7
138.09151	1.4
142.08772	1.6
149.09650	13.1
154.12253	12.7
162.48302	1.2
163.11252	7.7
166.12343	2.7
172.13329	30.8
174.07693	2.7
182.15497	2.2
183.12608	6.1
184.13423	6.6
191.10643	1.5
224.16553	2.3
232.15593	6.9
234.14943	2.5
252.15889	13.0
270.17090	9.7
274.06921	1.4
287.09204	2.9
288.18167	8.1
294.17169	6.2
302.17673	1.9
312.18103	1.8
330.09698	1.8
330.19244	2.4
348.13495	6.3
348.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2166
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
52.46906	0.7
55.05513	1.1
67.05513	4.7
68.37843	1.1
68.93159	0.9
69.07065	5.2
81.07073	8.2
89.59004	1.0
91.05483	1.5
93.07030	1.4
95.08608	2.4
105.07042	1.9
107.08595	2.1
109.01566	1.1
109.10149	4.3
119.08600	1.6
123.04417	8.2
123.11729	2.0
131.04906	1.7
133.10138	1.5
137.05995	2.0
145.06491	1.3
146.06044	1.4
147.04427	2.0
149.06015	11.7
152.07018	1.2
157.06491	5.4
161.05981	35.9
161.07307	1.8
163.07513	2.2
164.07106	1.1
168.13835	4.5
171.08005	1.7
173.05986	27.5
175.07542	42.9
182.15402	2.0
183.08217	1.6
187.07568	5.9
189.09129	5.0
194.12750	1.0
201.09120	2.2
203.10660	1.4
213.09140	1.1
235.31412	1.0
257.50531	1.0
285.18500	1.3
295.17017	1.7
313.17969	6.4
331.19077	10.8
348.21695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81982	1.7
55.05519	2.3
60.00063	1.9
67.05505	10.3
69.07068	1.9
79.05502	12.0
79.75385	1.9
81.07047	10.9
90.05555	87.0
91.05477	9.0
92.20883	3.7
93.07022	18.2
95.08601	10.3
105.07028	14.4
107.08578	9.8
109.10141	3.0
117.07044	2.8
119.08578	17.8
121.10143	14.5
125.24747	2.3
128.68918	2.1
131.08568	5.0
133.10149	17.9
135.08026	3.5
135.11690	12.1
136.08334	2.5
145.10127	8.7
147.11708	18.0
149.09598	2.8
149.13298	3.2
150.81558	2.1
157.10033	2.4
159.11690	3.1
161.13248	14.8
166.31563	2.3
171.11624	4.2
173.13246	3.1
175.14778	11.7
185.13304	3.3
199.14815	2.8
201.24930	2.8
224.15291	2.3
241.19513	10.7
259.20483	29.5
265.72318	2.0
277.67365	2.3
348.21783	3.5
348.25336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2527
Annotation	Dictysine
Peak:m/z	Relative Intensity
50.27332	1.7
51.52673	1.6
52.50868	1.6
56.00631	1.6
58.34003	1.7
61.49461	1.7
67.05503	13.0
69.07063	1.9
79.05502	8.9
81.07052	17.4
90.05561	91.1
91.05493	10.7
93.07036	17.2
95.08624	7.9
105.07021	16.0
107.08638	15.5
109.10163	8.4
117.07135	2.2
119.08567	22.7
121.10181	16.0
122.82356	1.9
122.86161	2.2
131.08551	7.7
133.10143	22.3
135.11720	12.7
137.09641	2.4
143.08592	2.5
145.10164	4.6
147.11703	21.0
149.13263	8.5
152.60603	2.0
157.10136	3.1
159.11688	13.7
161.13264	18.1
171.11684	4.8
173.13304	7.9
175.14859	11.2
185.13347	3.3
199.14725	2.0
206.38028	2.0
241.19485	12.2
259.20593	32.3
295.18805	2.6
348.25357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.7
57.03439	3.5
60.47625	1.8
65.85277	1.8
67.05505	48.5
67.79561	2.2
69.07059	3.4
71.04990	3.9
71.08631	11.0
79.05500	4.0
80.65029	2.2
81.07059	26.2
83.08633	13.1
91.05457	3.7
93.07049	16.3
95.08610	11.3
97.10162	17.2
107.08601	11.9
109.10157	74.7
119.08567	15.1
121.10146	4.4
125.09612	17.6
133.10152	3.2
135.11661	3.6
137.09647	9.4
142.70285	2.4
149.13255	2.6
151.11208	3.8
155.08673	2.4
155.10677	47.9
173.11719	100.0
173.13164	4.8
189.11237	15.8
190.14331	3.6
195.13890	5.6
213.14894	5.4
221.28854	2.2
259.20490	3.2
277.21567	24.9
295.22644	28.0
332.08841	3.4
348.05090	2.5
348.12256	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00954	0.7
55.05500	0.8
56.05045	7.2
57.07080	5.7
58.06598	5.3
60.04498	0.7
64.94933	0.7
69.07056	1.0
71.08629	3.7
74.06080	2.1
75.98560	0.9
76.20950	0.8
80.94492	0.9
81.07075	1.1
86.06062	21.7
88.07629	15.8
90.05565	4.9
93.07053	0.8
95.08608	1.5
103.03943	1.9
104.07101	3.3
107.53523	1.2
132.06520	1.4
136.06200	4.1
146.08125	12.9
147.11755	0.9
159.66946	0.8
163.68558	0.8
176.09183	6.1
180.08678	5.7
204.10344	1.0
228.23186	1.2
242.24768	29.7
300.25299	30.4
304.09573	0.9
318.07571	1.5
319.08575	1.4
330.26352	3.1
332.09225	5.9
333.09894	1.1
348.12418	18.4
348.27481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2869
Annotation	Arachidonoyl Ethanolamide
Peak:m/z	Relative Intensity
55.31538	0.3
57.39674	0.3
67.24798	0.3
69.40456	0.3
71.78881	0.3
72.90465	0.3
87.86688	0.3
87.94123	0.3
95.18961	0.3
136.06157	0.6
139.94751	0.3
159.56282	0.3
162.93469	0.4
237.96310	0.4
304.09946	0.5
332.09061	0.5
333.09866	0.5
348.12418	2.4
348.28745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83813	0.4
59.29100	0.4
71.23412	0.5
81.04447	0.5
81.10210	0.4
158.05760	0.5
180.25397	0.5
206.13858	0.5
312.85526	0.6
348.28754	100.0
361.25076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.287
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
56.49406	0.9
59.12735	0.9
60.13337	0.9
68.65573	1.1
86.06059	4.4
89.96883	1.1
119.04962	2.6
145.56105	1.1
158.43681	1.0
163.07581	2.1
191.90474	1.2
202.29269	1.1
212.23691	2.8
215.80733	1.1
329.19907	1.2
348.12317	2.7
348.21689	3.1
348.28757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2873
Annotation	O-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
58.33130	0.6
60.81705	0.6
63.78670	0.6
65.19826	0.6
69.07084	0.7
79.05519	0.8
81.07033	2.5
84.60120	0.7
87.41309	0.7
93.07066	0.9
135.08121	0.8
136.06207	1.5
153.21585	0.8
203.52023	0.8
219.60332	0.8
233.55113	0.8
306.25165	1.3
331.26999	1.0
348.28873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.30005	0.5
62.22704	0.5
71.44154	0.5
77.02464	0.6
88.11275	0.7
92.21464	0.7
136.06230	0.9
149.05994	0.9
236.16519	2.8
292.22809	1.0
348.28757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2871
Annotation	Arachidonoyl Ethanolamide
Peak:m/z	Relative Intensity
53.65480	0.6
57.07068	1.3
65.71841	0.8
69.07042	0.9
70.06602	1.5
71.06939	0.9
71.08633	0.9
80.43993	0.6
82.46042	0.6
88.07629	4.2
89.07982	1.0
95.08571	0.8
102.09183	1.7
103.09553	1.4
109.10132	1.0
136.06212	1.8
151.16788	0.8
284.29559	2.9
285.29831	5.3
286.30124	14.8
294.27911	0.7
302.24689	3.0
330.32709	1.3
348.12286	1.2
348.28656	100.0
348.33701	31.3
365.10220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65480	0.6
57.07068	1.3
65.71841	0.8
69.07042	0.9
70.06602	1.5
71.06939	0.9
71.08633	0.9
80.43993	0.6
82.46042	0.6
88.07629	4.2
89.07982	1.0
95.08571	0.8
102.09183	1.7
103.09553	1.4
109.10132	1.0
136.06212	1.8
151.16788	0.8
284.29559	2.9
285.29831	5.3
286.30124	14.8
294.27911	0.7
302.24689	3.0
330.32709	1.3
348.12286	1.2
348.28656	100.0
348.33701	31.3
365.10220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08657	0.5
51.21670	0.5
52.16007	0.5
55.22212	0.6
61.89452	0.5
65.73123	0.5
73.08770	0.6
348.28745	100.0
365.06125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2894
Annotation	Anandamide
Peak:m/z	Relative Intensity
55.05521	5.7
56.66685	3.5
57.07058	6.1
58.35986	3.2
62.06093	100.0
67.05498	23.5
69.07079	7.7
69.73959	3.5
70.35499	3.7
79.05495	15.1
80.47105	3.9
81.07054	18.3
83.08625	4.5
88.11260	7.7
91.05490	7.6
93.07036	10.1
95.08601	22.3
105.07008	15.9
107.08601	7.6
109.10154	8.9
111.38244	4.4
119.08577	16.2
121.10144	7.7
131.08577	5.1
133.10147	17.5
135.11696	7.3
136.06192	6.6
147.08134	4.4
147.11705	4.8
161.13263	5.2
166.15802	4.6
182.97675	3.9
193.37285	5.1
203.17987	6.8
269.22675	7.1
287.23761	7.9
324.67758	4.4
348.12347	22.6
348.29041	97.1
348.32877	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.6
56.86138	1.9
61.95370	2.0
67.05489	4.2
69.07060	5.7
70.06593	3.0
78.22070	2.0
81.07076	21.5
83.08582	3.3
86.09708	4.3
86.97538	2.4
87.12465	2.2
91.05521	3.4
92.21488	3.4
93.07035	14.2
95.08594	10.5
104.32730	2.4
105.07028	2.5
107.08594	4.7
108.27401	2.4
109.07638	4.7
109.10153	4.9
110.08411	3.0
111.11623	3.2
119.08562	3.1
131.08569	2.7
131.49474	2.3
133.10129	5.2
135.08131	3.0
135.09114	3.8
194.37845	2.4
303.28003	13.5
305.29373	4.1
313.26614	3.3
331.27472	36.3
332.09097	2.9
348.12411	12.7
348.30063	100.0
349.28522	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89349	1.7
51.45234	1.6
53.12837	1.4
55.05522	4.1
55.79548	1.6
56.81686	1.6
67.05492	2.1
69.07066	34.6
79.15540	1.7
81.07057	3.5
84.08135	11.1
86.09707	79.0
95.08606	3.9
97.10170	2.2
112.07597	60.0
112.08347	2.6
122.22370	1.8
154.12273	8.5
168.13823	11.2
182.15411	2.8
206.79140	2.0
210.18547	2.6
228.87347	2.0
314.01254	2.0
348.12515	3.3
348.32620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
67.05515	33.3
69.07065	11.3
71.08643	27.1
81.07063	29.3
86.09760	2.9
88.11269	100.0
93.07049	4.0
93.15928	2.5
95.08616	42.5
98.72022	2.8
107.08595	4.1
109.10144	19.8
114.09187	2.9
121.10145	3.4
123.11745	5.8
125.80125	3.1
135.11668	3.0
142.78226	2.8
153.51515	3.1
156.35368	3.6
170.15381	3.5
184.16959	3.0
186.66142	3.0
240.17079	2.9
322.53314	2.9
348.28928	3.5
348.32724	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31628	1.3
56.94577	1.3
61.54826	1.3
62.95045	1.7
74.10982	1.5
84.10822	1.4
85.99615	1.3
90.32224	1.4
103.02441	2.6
127.02422	2.3
131.01909	9.8
145.03476	10.9
149.02948	1.8
153.03975	2.0
155.01845	1.8
169.03464	100.0
171.05020	10.9
173.03024	5.5
175.11980	2.7
181.03525	14.4
187.04515	67.2
195.05020	7.1
197.02928	24.3
199.04555	19.6
209.02957	7.0
209.17371	1.9
213.06158	3.7
215.04060	14.9
223.04568	3.7
225.02501	8.4
227.03995	7.8
233.03015	2.7
233.05095	10.5
241.05577	10.5
251.03801	3.1
251.06104	33.5
259.06589	10.6
269.07321	18.2
277.07684	15.3
285.04721	2.0
287.06110	39.8
295.08786	8.6
303.05597	12.9
305.07129	7.9
313.03958	2.0
331.05054	63.1
349.06128	81.7
349.10394	3.5
367.07196	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31628	1.3
56.94577	1.3
61.54826	1.3
62.95045	1.7
74.10982	1.5
84.10822	1.4
85.99615	1.3
90.32224	1.4
103.02441	2.6
127.02422	2.3
131.01909	9.8
145.03476	10.9
149.02948	1.8
153.03975	2.0
155.01845	1.8
169.03464	100.0
171.05020	10.9
173.03024	5.5
175.11980	2.7
181.03525	14.4
187.04515	67.2
195.05020	7.1
197.02928	24.3
199.04555	19.6
209.02957	7.0
209.17371	1.9
213.06158	3.7
215.04060	14.9
223.04568	3.7
225.02501	8.4
227.03995	7.8
233.03015	2.7
233.05095	10.5
241.05577	10.5
251.03801	3.1
251.06104	33.5
259.06589	10.6
269.07321	18.2
277.07684	15.3
285.04721	2.0
287.06110	39.8
295.08786	8.6
303.05597	12.9
305.07129	7.9
313.03958	2.0
331.05054	63.1
349.06128	81.7
349.10394	3.5
367.07196	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
57.05301	0.5
71.31640	0.8
81.07052	1.6
82.07437	0.7
83.08606	0.9
86.09716	1.4
93.07044	1.5
94.07420	0.7
95.08624	0.9
98.50979	0.8
105.06987	0.7
107.08556	0.6
111.08147	0.7
120.08102	1.1
121.10109	0.9
123.81193	0.7
125.09681	0.6
175.82018	0.7
185.07043	1.3
196.14171	1.4
213.06512	0.7
214.15274	1.1
229.05853	0.8
247.08649	35.2
247.11192	1.3
259.08618	3.3
267.06735	1.2
275.08136	100.0
278.21951	2.6
285.06848	0.8
296.23041	1.1
303.07648	38.9
303.10748	1.5
306.07773	0.9
308.09177	4.4
312.07370	0.9
321.08667	16.3
334.07141	2.7
335.03595	0.8
349.08182	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83759	0.8
57.49324	0.9
58.06602	17.7
69.28630	1.0
71.29570	1.1
71.36721	0.9
72.08136	0.9
72.40073	0.9
100.85528	0.9
139.49500	1.2
187.03635	1.6
247.04189	1.3
255.74593	1.2
349.08902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.2
55.05506	23.6
61.94131	5.3
64.62012	4.9
65.73067	5.4
67.05501	27.2
69.07040	7.5
79.05507	48.9
81.07050	12.6
83.04958	12.1
83.81179	8.1
91.05468	14.5
92.20929	7.0
93.07033	36.8
95.04992	7.7
95.08593	22.1
103.27841	5.4
105.07007	8.0
107.04922	8.2
107.08582	32.4
109.10107	11.5
119.08571	13.5
121.10131	8.3
122.09990	6.5
123.08012	8.7
123.80883	5.5
133.10068	6.8
135.08086	6.4
147.11659	10.5
149.09642	13.6
163.11093	6.9
179.14291	26.1
275.19998	35.2
305.11642	6.6
306.07483	12.9
334.07153	24.4
349.10205	100.0
349.19980	9.4
349.23709	93.8
349.27457	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1393
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01884	4.8
57.03452	6.6
58.37181	2.9
60.60487	2.9
69.03424	5.0
69.04578	3.3
73.48886	3.1
80.42139	4.6
81.03411	3.7
85.02898	22.1
91.07867	3.5
97.02918	4.5
99.04487	6.9
103.03971	4.6
118.06515	8.3
122.49626	3.6
127.03899	5.7
130.06517	60.6
131.03397	6.4
132.08119	19.1
144.08083	46.6
146.06020	77.7
156.08075	50.2
159.09169	4.3
166.96123	3.8
168.08064	31.3
170.05966	26.5
170.87653	3.9
172.06062	8.3
180.08136	5.7
182.05997	5.6
183.09045	26.4
184.07574	6.5
188.07080	82.2
202.08647	19.9
208.07617	4.4
210.09215	6.3
212.07036	7.9
218.06546	5.5
228.76268	3.3
229.09669	68.4
230.08134	4.5
254.08200	4.7
258.11179	20.7
271.10696	6.4
276.12274	22.8
296.18713	4.4
303.13342	8.0
307.91312	4.0
313.11847	4.0
331.12949	35.6
332.11292	45.8
349.10443	7.7
349.14011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1544
Annotation	Nocazine B
Peak:m/z	Relative Intensity
51.29844	0.5
55.05516	1.8
57.03440	1.9
61.70082	0.7
67.05504	4.5
69.07081	3.0
79.05492	6.0
81.07060	11.3
83.08620	1.4
91.05479	61.2
93.07051	4.8
93.60683	0.8
95.04987	1.1
95.08598	4.1
99.04443	8.9
101.60695	0.7
105.07035	10.5
107.04950	1.0
107.08598	7.4
109.10137	1.4
115.05451	1.1
117.07012	40.0
118.39172	0.8
119.08578	6.1
120.08115	1.2
121.06453	1.0
121.10139	1.4
123.08064	1.0
125.06002	3.7
129.06961	6.8
131.08562	10.5
133.10138	4.9
135.11752	1.2
143.08577	3.5
145.10132	13.3
147.05528	33.8
147.06628	1.6
147.11667	5.8
155.08635	0.8
157.10123	8.6
158.50882	0.8
159.11679	7.0
161.13167	0.7
167.08604	1.1
167.36864	0.7
171.11700	1.0
173.13347	0.9
183.11737	1.2
185.09627	6.7
185.13272	1.4
197.13283	1.3
203.10674	23.4
216.10178	0.9
223.09985	0.9
239.09483	1.2
239.17986	0.9
241.11131	1.4
251.11752	2.9
257.19016	7.0
259.12280	1.2
267.09024	9.9
275.20035	1.7
277.17050	1.7
285.10095	49.7
303.11154	46.7
303.14642	1.6
308.11896	1.0
321.12750	2.7
321.15961	71.6
326.12814	0.8
331.14981	0.8
331.18756	1.1
331.22559	1.1
349.15439	100.0
349.19754	21.2
349.23715	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.3
58.06609	100.0
59.06945	0.3
73.47432	0.2
87.12171	0.2
121.06487	0.3
123.08071	0.2
133.16576	0.2
137.06007	0.4
146.05975	0.3
149.06007	1.9
151.07552	2.5
152.07866	1.1
162.09145	0.4
163.03946	0.3
167.06984	0.2
172.07582	0.3
174.09096	0.3
175.09930	1.3
176.10693	0.2
177.05460	0.8
178.08675	0.4
181.06610	0.2
190.08623	2.1
192.10239	0.3
205.06845	0.2
208.09705	0.2
209.06015	0.3
211.07530	1.6
223.07516	0.8
224.08614	0.2
235.07584	0.4
237.05446	0.5
237.09033	0.3
239.07057	3.6
240.07707	1.1
241.08580	0.9
247.07576	0.3
251.06981	2.1
252.07753	0.4
253.08414	0.8
255.10156	1.1
257.07986	0.4
262.45480	0.2
265.08566	0.9
266.18320	0.2
267.06549	4.1
269.08054	4.1
281.08051	1.3
283.06006	0.3
283.09521	1.0
284.07227	0.4
284.10413	7.0
293.08862	0.4
296.10309	0.3
297.10999	0.3
298.08270	0.3
299.09012	1.0
308.09088	0.9
308.12729	0.3
309.09915	0.4
321.08719	0.4
326.63025	1.2
327.63684	1.1
334.10010	0.4
340.15045	0.3
349.08060	0.7
349.11856	2.3
349.15854	24.1
349.66129	1.6
356.15112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72530	5.0
54.29750	5.9
56.96560	9.8
57.03429	6.3
61.42614	5.5
67.05503	7.2
72.91642	5.6
81.07066	10.3
91.05492	8.1
93.07060	21.3
95.08622	7.0
105.07056	13.6
107.08597	12.3
119.08550	8.2
120.48471	5.6
131.08641	8.3
133.10117	9.2
147.11684	7.0
159.11688	10.2
169.01775	6.0
182.63412	5.9
241.07472	56.4
253.11037	7.5
257.18750	12.5
259.08569	35.6
275.19977	6.7
279.12784	53.1
297.13770	31.8
306.07584	33.4
308.09213	8.0
310.96048	6.5
313.14731	40.3
313.99435	5.9
331.15762	92.6
334.07092	46.5
349.09525	50.0
349.13062	13.0
349.16174	100.0
349.19992	65.6
349.23764	54.5
367.17993	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.05516	1.1
61.19070	0.9
67.05526	1.1
79.05502	1.8
81.07049	2.4
82.99414	1.0
91.05468	1.6
95.08636	1.7
105.07054	1.8
119.08620	1.9
128.02911	1.1
131.08508	1.1
133.10150	1.8
158.90073	1.0
190.52274	1.4
208.88889	1.0
219.17381	1.2
240.97733	1.1
279.81506	1.2
329.77194	1.0
349.19873	100.0
349.23679	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33443	0.7
55.05520	1.3
55.23509	0.7
57.03434	1.3
60.90073	0.7
61.53493	0.6
65.63324	0.6
67.05489	1.4
69.07045	1.6
71.63704	0.7
75.99872	0.7
79.05485	5.1
81.07051	4.3
83.08624	1.2
91.05463	3.9
92.22774	0.8
93.07025	1.8
95.04964	0.9
95.08579	4.2
104.85485	0.7
105.07035	5.0
107.04942	1.1
107.08591	5.8
109.06526	1.5
109.10137	1.5
117.07016	0.8
119.08575	4.4
121.06442	1.2
121.10139	3.3
129.06992	0.8
131.08534	4.6
133.10109	5.0
135.08041	0.9
143.08559	0.9
145.10150	9.4
147.11720	1.7
157.10109	1.6
159.11662	1.7
161.09518	1.3
161.13379	0.8
169.10349	1.0
171.11598	1.0
173.13292	1.5
183.11737	0.9
229.19560	0.7
239.17967	1.3
257.18976	6.5
275.20065	3.5
288.49969	0.8
349.19806	100.0
349.23685	14.8
370.69107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
57.07085	1.0
57.34208	0.8
66.04788	0.8
67.05494	4.1
69.07094	1.2
76.46635	0.8
79.05487	4.9
81.07074	2.1
83.08617	1.1
91.05515	1.6
91.47195	0.8
93.07015	3.7
95.08622	2.0
97.10160	1.1
101.87745	0.8
105.07051	0.9
107.04991	0.9
107.08607	1.5
109.06506	1.4
109.10158	1.6
113.55434	1.0
115.42374	0.8
116.36303	0.8
119.08582	2.1
121.10142	3.5
123.08131	3.7
129.90445	0.8
135.11729	1.3
137.63919	0.8
149.09680	1.9
152.04723	3.7
159.57010	0.8
161.13409	0.9
167.07027	100.0
177.21310	0.9
179.14342	3.9
191.14383	1.4
194.22006	0.9
228.97910	0.8
275.20023	2.0
296.91422	0.9
303.26816	4.2
306.07297	1.1
308.09024	1.2
308.58356	1.0
331.19281	1.2
331.26331	14.4
334.07059	4.5
336.22043	1.0
349.09457	4.6
349.19888	95.4
349.23581	6.2
349.27338	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31648	0.9
54.10637	1.0
55.05516	2.3
57.07069	2.1
58.22115	1.1
59.01265	1.2
67.05513	6.2
68.79330	1.2
69.07067	7.1
71.08598	1.5
72.04547	1.1
81.07057	8.8
83.08629	6.9
93.07054	2.6
95.08620	10.2
97.10145	5.4
105.07028	1.9
109.06523	1.8
109.10167	7.1
111.11688	1.8
119.08588	2.2
121.10169	1.8
123.08076	5.5
123.11724	2.0
125.63445	1.3
133.10133	1.7
135.11737	1.7
143.04561	1.3
150.06317	2.2
164.07988	1.9
166.85669	1.3
179.14270	9.2
273.25705	1.6
291.26843	7.4
308.09424	1.6
308.29495	20.8
349.12381	1.7
349.23465	100.0
349.28909	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.3
56.13014	0.7
57.07086	1.6
67.05504	3.8
69.07075	5.8
71.08612	1.1
80.21930	1.0
81.07066	8.0
83.08612	6.6
85.21639	0.9
91.05509	1.2
93.07063	0.9
95.04913	0.9
95.08614	8.9
97.10168	3.7
107.08585	1.8
109.06491	0.9
109.10177	6.6
114.09149	1.2
121.10117	1.8
123.08056	7.5
133.10158	1.2
135.78920	0.9
179.14273	14.6
291.26849	7.8
293.21057	1.4
308.08908	1.0
308.29453	23.1
331.27008	1.0
349.23468	100.0
349.28311	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81131	0.9
55.05508	8.3
57.03445	44.4
67.05508	27.3
69.07072	8.5
79.05069	1.8
79.05495	25.7
79.64503	1.2
80.43477	1.0
81.07057	25.2
83.02036	1.1
83.04987	1.3
83.08636	4.1
85.06552	13.8
91.05483	34.1
93.07039	34.9
95.04953	2.5
95.08607	26.3
97.06528	4.5
97.10159	1.7
99.04456	5.2
99.08083	1.3
105.07030	29.6
107.04968	4.6
107.08593	21.9
109.06514	11.1
109.10154	8.8
111.08056	4.4
117.07008	12.3
119.08579	28.1
121.06526	1.5
121.10126	15.8
123.08064	5.4
129.07025	3.6
131.08556	25.5
133.10135	18.0
135.08025	1.6
135.11678	10.1
137.09637	4.8
143.08557	1.8
145.10121	11.9
147.11697	6.8
149.09644	3.8
149.13339	2.0
153.12727	3.7
157.10123	2.1
159.10527	1.2
159.11681	9.1
161.13231	3.9
173.13318	4.6
177.12714	1.3
185.13243	4.3
201.16344	7.5
203.14317	4.5
209.15308	1.6
219.17429	94.1
250.08179	1.0
250.25511	1.2
257.18896	2.0
275.20062	17.0
308.09222	4.3
334.07053	2.4
349.09259	5.3
349.23721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
54.23924	3.5
55.05513	25.0
57.03447	5.3
67.05512	28.1
67.05797	3.5
69.07058	14.3
70.87903	3.5
74.19459	3.5
79.05505	54.3
81.07065	20.0
83.04987	24.5
83.08640	5.4
91.05480	18.4
93.07044	36.1
95.08614	8.7
97.10160	7.2
100.51524	3.7
105.07034	22.9
107.04974	16.3
107.08594	26.0
108.83032	3.9
109.10186	9.5
117.07025	6.4
119.08590	8.0
121.10135	8.3
125.09637	5.8
125.98800	3.6
128.44931	3.9
131.08560	9.8
133.10117	9.6
135.11684	5.8
145.10130	7.6
147.11685	6.4
149.09602	25.5
179.14394	4.5
190.34383	4.0
211.71411	4.4
237.67688	4.4
275.20126	36.0
349.23697	100.0
349.27539	9.8
366.91565	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.67315	1.2
55.01870	1.5
55.05519	2.4
57.03442	2.7
57.07077	7.0
62.96624	1.0
67.05521	6.1
69.07082	1.7
70.25521	1.1
71.08637	1.5
79.05499	2.9
80.36777	1.2
81.07064	8.6
85.06530	2.6
91.05495	6.0
93.07045	6.5
93.63526	1.0
93.83571	1.0
95.04967	5.2
95.08627	5.5
97.06542	2.5
105.07043	2.0
107.08588	2.2
109.06544	4.5
109.10210	2.2
117.07034	1.7
119.08591	2.5
121.06479	1.4
121.10117	2.5
123.04446	1.1
123.08089	2.7
123.11729	1.1
131.08551	1.4
133.10155	1.9
135.04413	2.0
145.10197	2.2
149.09650	1.9
162.49432	1.1
163.07587	1.6
179.10612	1.8
179.14326	21.8
199.42033	1.3
214.82120	1.2
219.17398	2.3
247.16933	100.0
275.20093	2.8
331.22620	8.6
334.07132	5.6
342.32285	1.3
349.09378	4.6
349.13397	1.5
349.19443	5.8
349.23715	18.2
349.27451	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.0
55.07839	3.3
57.03445	6.6
57.07062	3.7
57.95393	4.1
67.05515	40.7
69.07063	34.2
74.20325	3.9
75.07193	4.1
75.43869	3.9
79.05496	39.6
81.07061	65.6
83.08601	6.5
84.85367	4.1
91.05492	34.1
93.07047	70.0
95.04980	22.6
95.08607	68.1
97.06529	8.8
101.32098	4.0
103.05497	4.1
105.07040	75.7
107.08607	65.9
109.06524	5.9
109.10146	43.6
117.06966	16.8
119.08584	84.4
121.10152	100.0
123.08086	5.1
123.11716	29.8
131.08589	42.0
133.10120	49.7
135.11703	20.2
142.07732	4.5
142.19005	4.3
143.08586	20.9
144.09312	4.6
145.10159	57.2
147.11699	26.1
149.13287	5.5
155.08543	7.3
156.09372	5.9
157.10104	38.4
159.11659	25.3
161.09604	8.7
161.13286	9.4
169.10158	17.1
171.11717	19.2
173.13254	17.4
175.14864	9.4
179.08542	5.9
179.14328	20.0
181.10056	6.7
183.11734	9.8
185.13232	17.2
187.14824	16.9
195.11736	7.7
197.13300	17.4
199.14888	10.1
209.13303	24.4
210.13922	5.5
225.16556	6.3
227.14320	23.1
243.21071	15.5
254.82045	5.1
257.19006	7.0
261.22076	18.6
265.19455	4.8
275.20074	9.5
349.24457	67.6
349.29114	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.0
55.07839	3.3
57.03445	6.6
57.07062	3.7
57.95393	4.1
67.05515	40.7
69.07063	34.2
74.20325	3.9
75.07193	4.1
75.43869	3.9
79.05496	39.6
81.07061	65.6
83.08601	6.5
84.85367	4.1
91.05492	34.1
93.07047	70.0
95.04980	22.6
95.08607	68.1
97.06529	8.8
101.32098	4.0
103.05497	4.1
105.07040	75.7
107.08607	65.9
109.06524	5.9
109.10146	43.6
117.06966	16.8
119.08584	84.4
121.10152	100.0
123.08086	5.1
123.11716	29.8
131.08589	42.0
133.10120	49.7
135.11703	20.2
142.07732	4.5
142.19005	4.3
143.08586	20.9
144.09312	4.6
145.10159	57.2
147.11699	26.1
149.13287	5.5
155.08543	7.3
156.09372	5.9
157.10104	38.4
159.11659	25.3
161.09604	8.7
161.13286	9.4
169.10158	17.1
171.11717	19.2
173.13254	17.4
175.14864	9.4
179.08542	5.9
179.14328	20.0
181.10056	6.7
183.11734	9.8
185.13232	17.2
187.14824	16.9
195.11736	7.7
197.13300	17.4
199.14888	10.1
209.13303	24.4
210.13922	5.5
225.16556	6.3
227.14320	23.1
243.21071	15.5
254.82045	5.1
257.19006	7.0
261.22076	18.6
265.19455	4.8
275.20074	9.5
349.24457	67.6
349.29114	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
52.53043	0.9
55.05506	4.9
55.64083	0.8
57.07082	2.6
58.52860	0.8
59.68574	0.9
65.84918	1.2
67.05495	4.6
68.09509	1.0
68.36531	1.0
69.07061	12.2
71.08639	2.3
78.38497	0.9
78.71840	0.9
79.05496	2.2
81.07064	6.6
83.04977	2.3
83.08613	6.4
85.96122	1.0
91.05438	1.1
93.07045	5.7
95.08604	5.5
97.10150	1.8
101.09596	1.0
105.07048	2.0
107.08591	11.4
109.10157	2.5
119.08582	5.6
121.06472	2.1
121.10135	6.9
123.08047	5.0
123.11701	2.3
133.10118	5.8
135.08057	8.0
135.11705	7.7
135.63852	1.1
145.10123	2.0
147.11700	2.6
149.09628	2.3
149.13287	1.3
159.11658	1.6
161.13257	1.4
161.82257	1.1
163.14760	2.4
165.12659	1.2
168.81355	1.0
173.13290	3.9
175.14821	4.0
177.12735	4.3
177.16336	2.2
178.41551	1.2
179.14294	9.7
189.16400	2.1
191.14354	12.7
203.17937	1.5
205.15846	1.8
219.17415	1.5
275.27335	4.4
303.26837	10.0
308.88898	1.3
331.26288	100.0
334.06808	1.8
349.08887	1.4
349.27484	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.48713	1.0
55.05501	2.6
62.36465	1.3
67.05506	5.7
69.07059	5.9
70.02929	1.3
81.07056	6.1
82.61835	1.2
83.08614	3.0
85.06516	1.5
92.20977	2.3
93.07054	6.1
95.08587	7.3
105.07057	2.1
107.08597	3.3
109.06535	2.6
109.10154	7.0
111.08102	1.3
117.48160	1.2
119.08518	1.9
121.10138	6.3
123.08067	58.6
133.10178	2.6
135.07986	2.4
135.11713	1.6
137.09599	2.2
147.11636	1.8
149.13257	2.8
152.99026	1.3
160.62491	1.3
161.13289	1.8
179.14262	21.9
201.78584	1.3
201.87210	1.4
275.20047	1.8
293.21176	22.5
302.74710	1.6
308.09256	1.7
308.29657	3.1
349.27396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05506	1.6
57.07053	2.7
65.99075	1.7
67.05514	3.8
69.07082	4.4
79.05480	2.1
81.07062	4.7
82.63569	1.9
82.77962	1.7
83.08603	8.7
93.07047	3.3
95.08591	12.0
105.07010	3.6
107.08604	4.2
109.06506	4.3
109.48311	2.0
119.08565	3.0
123.08072	63.1
133.10130	3.0
135.11632	2.2
170.02463	2.0
178.46538	1.8
179.14316	37.7
210.98376	2.4
275.19989	2.2
292.78958	2.0
293.21127	22.3
308.09073	3.5
321.86688	2.4
329.76218	2.5
342.45438	2.1
349.23947	5.0
349.27405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.20163	1.1
50.68692	1.0
54.43314	1.0
55.05491	2.2
67.05529	4.7
69.07055	6.8
71.08629	2.3
73.79689	1.3
75.36382	1.7
79.05449	1.2
81.07040	7.9
82.09760	1.4
83.08627	2.2
91.05495	1.7
93.07024	5.5
94.43150	1.3
95.08594	7.4
105.07027	1.3
107.08564	3.0
109.06514	5.5
109.10136	5.3
111.08047	1.8
119.08559	2.5
121.10125	5.4
123.08072	53.8
133.10118	6.0
135.08049	2.1
135.11623	2.2
137.09593	3.0
147.11671	2.1
149.13237	1.9
161.13229	1.6
179.14288	49.1
261.14410	1.5
275.19937	1.8
281.03522	1.6
293.21057	20.0
308.09241	3.3
334.07153	1.5
349.23700	5.6
349.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
55.01880	1.3
55.05525	2.9
57.07077	2.5
63.54213	1.2
67.05519	7.8
69.07066	6.6
71.08659	1.5
75.24570	1.2
78.13412	1.2
79.05503	5.4
81.07069	13.2
83.04992	1.8
83.08651	2.6
89.50904	1.3
91.05480	2.3
93.07056	6.7
95.08617	13.8
105.07050	2.5
107.08597	11.0
109.06506	2.1
109.10179	6.3
111.85369	1.3
118.12630	1.4
119.08594	11.7
121.10114	9.4
123.08093	7.7
123.11742	1.7
131.08597	2.2
133.10152	3.3
135.08089	7.4
135.11705	7.2
137.09639	2.3
137.13298	6.0
145.10167	2.8
147.11749	2.0
149.09669	6.0
149.13326	2.6
159.11743	2.7
160.45497	1.3
161.13255	2.5
163.14856	5.1
165.12807	5.7
173.13353	2.5
175.14902	2.6
179.14305	9.5
191.14381	12.1
192.17674	1.4
231.70439	1.7
303.26874	26.8
306.07733	2.0
308.29279	1.8
313.25412	1.5
331.26288	100.0
334.07260	7.5
349.09399	5.5
349.19931	67.6
349.27383	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.25129	0.5
52.25545	0.6
54.31002	0.5
55.01869	4.1
55.05510	3.1
56.53883	0.5
57.07047	0.9
61.24897	0.5
65.24988	0.6
67.05510	5.2
69.07075	8.2
71.04988	1.1
71.08617	0.9
75.15435	0.7
79.05495	3.0
80.77737	0.6
81.07056	13.8
83.04961	0.9
83.08612	5.8
85.06541	0.8
91.05465	3.4
91.12799	0.6
93.07028	7.3
95.04967	2.8
95.08599	12.1
97.06526	6.3
97.10169	1.6
105.07027	6.1
107.08595	6.3
109.06519	37.2
109.10171	5.6
111.08089	1.2
119.08549	4.8
121.06532	0.9
121.10184	4.7
123.08058	10.7
123.11713	2.8
125.09673	0.6
131.08548	1.0
133.10092	5.3
135.08055	1.4
135.11707	2.8
137.09644	1.3
142.76585	0.6
145.10164	1.5
147.11693	3.2
149.09621	0.9
149.13249	1.0
151.11215	1.3
157.10081	0.8
159.11754	1.3
161.13280	1.6
163.11160	1.5
165.12762	8.0
173.13263	0.8
179.14311	13.6
219.17503	1.1
261.18509	0.9
293.21161	4.9
308.29364	1.0
317.24670	7.4
331.26450	0.9
349.22955	3.5
349.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79935	0.6
55.05513	1.8
57.66064	0.7
67.05499	1.5
69.07076	6.4
77.02214	0.7
78.81660	0.7
81.07063	5.6
83.08614	4.3
93.07031	3.8
95.06123	0.9
95.08602	5.2
97.06490	0.9
105.07045	1.6
107.08579	6.0
109.06508	3.7
109.07638	3.8
109.10142	3.0
111.08079	1.0
119.08569	1.5
121.10131	4.5
123.08068	50.2
125.28371	0.9
133.10172	3.1
135.08063	1.8
137.09624	2.9
140.14391	1.0
147.11693	1.6
149.13232	1.3
161.13239	1.3
165.13879	1.5
166.14653	1.0
167.15405	4.8
177.12891	0.9
179.14313	7.2
212.79369	0.7
237.15898	1.2
239.17499	3.7
275.20096	3.0
286.02301	1.0
293.21072	17.4
331.27139	5.1
342.32895	0.8
349.27771	100.0
355.17828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66767	2.2
55.01868	2.9
55.05508	6.1
57.07059	2.8
59.31430	2.2
67.05506	13.1
69.07055	12.4
71.04998	3.7
72.04516	39.0
73.02912	2.7
79.05498	11.9
81.07053	30.3
83.08625	11.9
85.57964	2.6
89.07153	20.0
89.43890	2.3
91.05471	4.1
93.07037	27.1
95.05003	3.7
95.08611	33.1
97.10210	2.8
105.07019	4.9
107.08582	21.5
109.06530	5.3
109.10136	11.6
111.08081	4.0
119.08561	10.5
121.10125	21.1
123.08067	40.1
123.11740	4.6
131.08623	3.4
133.10109	4.1
135.07997	4.6
135.11700	13.5
145.10149	3.1
147.11685	6.5
149.13255	4.2
159.11688	3.8
161.13179	4.7
163.14835	3.8
175.19804	2.8
179.14294	88.9
221.15326	12.9
293.21063	11.1
297.22202	3.9
308.29532	4.3
314.24844	10.6
315.23141	3.9
332.25812	57.7
349.23428	14.9
349.27289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93403	1.0
55.05515	7.2
57.03437	0.8
57.07074	5.1
65.81964	0.8
66.86461	0.7
67.05512	8.4
69.07075	15.6
71.08635	3.4
79.05473	1.3
81.07066	16.8
83.04971	1.0
83.08633	16.1
86.06049	0.8
91.05479	3.4
93.07037	3.5
95.08607	21.2
97.06542	1.5
97.10165	9.9
100.07614	3.1
105.07017	1.6
107.08584	6.2
109.10145	12.0
111.08080	1.6
111.11721	1.9
114.09157	2.0
119.08569	2.0
121.10133	4.8
123.08009	1.9
123.11684	7.3
128.10670	1.7
130.49046	0.8
130.54750	0.9
133.10147	5.2
135.11722	4.1
137.13301	1.6
139.11122	1.3
147.11763	1.9
149.13249	1.9
151.14821	1.1
154.45065	0.9
161.13298	3.4
179.14354	3.4
179.17995	1.5
180.49268	0.9
181.56129	0.9
194.55666	0.8
212.20241	1.2
273.25754	5.6
291.26807	14.0
308.29477	51.9
349.29089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93403	1.0
55.05515	7.2
57.03437	0.8
57.07074	5.1
65.81964	0.8
66.86461	0.7
67.05512	8.4
69.07075	15.6
71.08635	3.4
79.05473	1.3
81.07066	16.8
83.04971	1.0
83.08633	16.1
86.06049	0.8
91.05479	3.4
93.07037	3.5
95.08607	21.2
97.06542	1.5
97.10165	9.9
100.07614	3.1
105.07017	1.6
107.08584	6.2
109.10145	12.0
111.08080	1.6
111.11721	1.9
114.09157	2.0
119.08569	2.0
121.10133	4.8
123.08009	1.9
123.11684	7.3
128.10670	1.7
130.49046	0.8
130.54750	0.9
133.10147	5.2
135.11722	4.1
137.13301	1.6
139.11122	1.3
147.11763	1.9
149.13249	1.9
151.14821	1.1
154.45065	0.9
161.13298	3.4
179.14354	3.4
179.17995	1.5
180.49268	0.9
181.56129	0.9
194.55666	0.8
212.20241	1.2
273.25754	5.6
291.26807	14.0
308.29477	51.9
349.29089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06192	0.5
53.45230	0.5
55.05516	7.9
57.07075	5.9
67.05515	9.3
69.07070	15.0
71.08627	2.7
79.05494	3.8
79.90879	0.6
81.07061	19.5
83.04999	0.8
83.08630	13.6
86.06055	1.7
91.05479	3.1
91.10292	0.7
93.07034	4.6
95.08607	19.4
96.41430	0.7
97.06541	3.0
97.10174	10.8
100.07607	2.5
105.07039	2.9
107.08588	5.9
109.06551	0.7
109.10169	11.4
111.08086	1.5
111.11696	3.4
114.09164	3.7
119.08570	4.3
121.10123	5.7
123.11704	5.8
128.10703	2.8
133.10107	6.4
135.11716	3.0
137.09627	0.8
137.13232	3.6
138.46681	0.7
145.10104	1.0
147.11714	3.8
149.13263	3.6
160.36804	0.7
161.13194	1.5
163.14864	0.9
165.12874	1.0
175.14723	1.2
178.76706	0.7
179.14368	1.3
183.51450	0.9
184.16956	0.6
189.16417	1.4
191.17812	1.0
197.59476	0.6
220.92885	0.7
226.21660	0.8
252.23126	0.7
273.25748	5.7
291.26828	18.7
308.29480	53.1
321.99008	0.7
349.29065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40012	0.3
83.39796	0.3
88.76963	0.3
97.87911	0.3
119.78413	0.3
169.40182	0.3
177.05438	0.4
179.52150	0.4
185.77737	0.3
223.06198	0.7
235.06184	2.6
260.88065	0.3
263.05725	3.5
278.04526	3.3
279.05231	0.5
304.05927	0.5
306.07617	0.5
307.04773	13.1
316.09473	0.3
317.10440	0.8
320.05768	0.4
320.09219	2.1
322.07138	2.1
335.11478	0.6
350.06573	100.0
350.13791	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0655
Annotation	Stephadione
Peak:m/z	Relative Intensity
53.44257	0.3
64.19837	0.4
69.07053	0.5
69.27100	0.4
71.51651	0.4
71.63602	0.4
81.07059	0.7
93.07028	0.6
95.08621	0.9
105.06995	0.4
107.08545	0.4
119.08587	0.5
121.06458	0.5
131.08578	0.6
136.07538	0.5
140.49358	0.4
145.10147	0.5
147.11667	0.5
149.02304	0.9
157.10277	0.4
159.04401	1.0
160.03955	0.8
168.10083	0.4
190.05051	0.9
199.82645	0.4
249.05357	1.0
258.24460	0.6
264.06534	0.8
264.15952	0.8
274.04730	0.5
275.03226	0.6
276.06595	0.7
277.04895	0.6
292.06152	3.0
294.07504	0.7
304.05948	0.6
306.07666	0.8
306.11221	2.4
314.20987	0.5
318.11349	0.5
318.55783	0.5
320.05496	5.0
320.08981	1.5
322.07083	8.1
326.07150	0.4
332.22205	6.1
334.10760	2.7
335.07932	0.9
335.11316	3.6
341.09647	2.1
350.06570	100.0
350.13821	10.0
350.23328	16.4
350.28159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0658
Annotation	Stephadione
Peak:m/z	Relative Intensity
56.49223	0.9
74.84158	0.9
118.64881	1.0
128.87161	0.8
169.92107	1.0
246.05626	1.2
248.07062	5.8
263.09708	1.0
269.93021	1.1
274.04968	72.2
276.06558	7.8
278.04596	1.9
278.07889	1.6
292.06082	1.2
303.05209	1.1
304.06006	11.1
305.06870	7.2
306.07684	1.9
318.07373	1.1
320.05569	5.9
322.07138	1.2
332.05478	13.7
333.08224	1.2
335.07724	1.0
341.09769	4.2
350.06567	100.0
350.10281	11.1
350.23291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0657
Annotation	Hypecoumine
Peak:m/z	Relative Intensity
67.05506	0.6
67.86494	0.5
71.87142	0.5
77.05932	0.5
88.07629	2.6
93.07051	0.6
149.02359	0.8
155.02274	0.5
159.04395	0.5
160.03951	1.0
161.13193	0.5
190.04971	2.6
246.10812	0.6
248.06879	0.7
249.05513	0.6
259.37387	0.5
264.06512	0.9
265.41101	0.6
275.03436	1.0
276.80447	0.5
277.04794	0.6
292.06039	4.0
304.05997	0.7
306.04645	0.5
306.07535	3.6
306.10880	0.6
307.04803	3.1
309.09659	0.5
318.07834	0.7
320.05560	8.4
320.09015	1.6
322.07153	9.0
322.10699	0.9
332.05640	1.0
332.25745	0.7
334.07095	1.1
334.10703	1.1
335.04089	3.3
335.07907	3.6
350.06577	100.0
350.10269	11.1
350.13855	4.6
350.23004	3.9
350.27060	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0656
Annotation	Hypecoumine
Peak:m/z	Relative Intensity
56.40012	0.3
83.39796	0.3
88.76963	0.3
97.87911	0.3
119.78413	0.3
169.40182	0.3
177.05438	0.4
179.52150	0.4
185.77737	0.3
223.06198	0.7
235.06184	2.6
260.88065	0.3
263.05725	3.5
278.04526	3.3
279.05231	0.5
304.05927	0.5
306.07617	0.5
307.04773	13.1
316.09473	0.3
317.10440	0.8
320.05768	0.4
320.09219	2.1
322.07138	2.1
335.11478	0.6
350.06573	100.0
350.13791	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40012	0.3
83.39796	0.3
88.76963	0.3
97.87911	0.3
119.78413	0.3
169.40182	0.3
177.05438	0.4
179.52150	0.4
185.77737	0.3
223.06198	0.7
235.06184	2.6
260.88065	0.3
263.05725	3.5
278.04526	3.3
279.05231	0.5
304.05927	0.5
306.07617	0.5
307.04773	13.1
316.09473	0.3
317.10440	0.8
320.05768	0.4
320.09219	2.1
322.07138	2.1
335.11478	0.6
350.06573	100.0
350.13791	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1022
Annotation	10-Hydroxydihydrosanguinarine
Peak:m/z	Relative Intensity
50.57115	0.3
50.77300	0.3
54.84769	0.3
72.27528	0.3
80.88447	0.3
184.28001	0.4
192.04245	0.4
201.01863	0.3
212.00417	0.3
291.09146	0.4
292.05914	5.6
299.08698	0.7
306.07654	3.2
306.11307	2.2
313.58942	0.6
317.06885	1.7
320.05533	100.0
330.32809	0.4
334.07156	0.8
334.10818	2.5
335.07867	57.2
335.11224	2.8
350.10172	67.9
350.13782	6.4
350.23166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
57.63519	1.0
79.05458	1.2
81.07062	1.3
86.74570	1.1
91.13866	1.0
121.06520	10.3
172.03943	1.2
190.04919	2.6
246.05447	7.0
248.07111	6.8
274.04944	85.7
276.06430	11.3
278.04416	5.3
278.08130	4.6
288.06467	2.4
290.56641	1.6
292.05994	2.5
296.06155	1.9
296.57031	1.3
298.07877	1.8
303.07291	2.7
304.05847	18.0
304.56372	10.2
305.06744	6.5
306.07565	10.7
310.07779	4.9
310.56464	1.4
311.06711	2.7
311.57190	1.9
312.07669	9.4
314.41571	1.3
317.06912	5.3
318.07510	6.8
318.56238	7.2
319.08466	11.1
320.05386	7.1
326.07260	20.8
332.05539	17.6
332.18500	1.5
332.22137	2.0
333.08084	7.6
334.07190	8.9
335.07718	6.8
341.09659	45.2
350.06497	100.0
350.10263	51.6
350.19373	9.3
350.24118	11.4
350.28827	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
57.63519	1.0
79.05458	1.2
81.07062	1.3
86.74570	1.1
91.13866	1.0
121.06520	10.3
172.03943	1.2
190.04919	2.6
246.05447	7.0
248.07111	6.8
274.04944	85.7
276.06430	11.3
278.04416	5.3
278.08130	4.6
288.06467	2.4
290.56641	1.6
292.05994	2.5
296.06155	1.9
296.57031	1.3
298.07877	1.8
303.07291	2.7
304.05847	18.0
304.56372	10.2
305.06744	6.5
306.07565	10.7
310.07779	4.9
310.56464	1.4
311.06711	2.7
311.57190	1.9
312.07669	9.4
314.41571	1.3
317.06912	5.3
318.07510	6.8
318.56238	7.2
319.08466	11.1
320.05386	7.1
326.07260	20.8
332.05539	17.6
332.18500	1.5
332.22137	2.0
333.08084	7.6
334.07190	8.9
335.07718	6.8
341.09659	45.2
350.06497	100.0
350.10263	51.6
350.19373	9.3
350.24118	11.4
350.28827	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1021
Annotation	10-Hydroxydihydrosanguinarine
Peak:m/z	Relative Intensity
79.27998	0.6
80.77048	0.7
88.15411	0.6
92.18629	0.6
96.92965	0.8
177.64749	0.6
179.61189	0.7
190.05011	0.9
210.38509	0.7
243.63031	0.8
250.56490	0.7
282.27838	0.8
292.05948	6.0
306.07584	1.1
317.07019	0.9
320.05533	100.0
334.07007	0.8
335.03793	1.5
335.07858	54.2
350.10202	75.8
361.89551	0.7
374.92755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68540	0.4
67.06727	0.5
72.04596	0.6
92.20876	0.6
93.93379	0.6
98.85814	0.6
104.55744	0.5
137.26363	0.7
148.00333	0.6
210.19331	0.6
210.21504	0.5
211.57121	0.6
249.07811	0.7
261.07944	0.7
277.07446	0.8
278.08099	11.7
289.07321	2.4
290.08038	1.4
291.08893	3.6
292.06046	2.1
306.07578	37.8
307.08386	5.4
317.06802	0.9
318.07538	6.6
319.08441	1.1
320.05524	73.3
321.09949	2.4
322.07153	0.8
322.10675	3.6
334.07080	9.4
335.07858	16.4
344.69803	0.6
350.10223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.102
Annotation	10-Hydroxydihydrosanguinarine
Peak:m/z	Relative Intensity
58.06597	0.5
77.34122	0.4
108.59235	0.5
171.06520	1.2
176.97083	0.5
177.00446	0.5
184.50835	0.5
186.73996	0.5
238.38051	0.5
278.08060	0.9
289.07269	1.2
306.07608	11.3
307.08258	3.5
320.05444	1.9
322.07101	0.7
322.10687	16.1
333.08469	0.6
334.07071	23.3
335.07858	10.2
350.10214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87668	0.8
67.05494	0.8
72.83034	0.8
88.02210	0.9
94.50514	0.9
103.71589	0.8
130.48643	0.8
198.14647	0.9
216.90862	0.8
253.68889	0.9
261.85919	0.9
276.06628	0.8
278.08063	3.2
282.61539	0.8
289.07288	3.6
291.57587	1.4
292.06100	1.3
298.58359	1.4
299.08881	1.0
305.06879	3.4
306.07657	22.3
306.11130	3.2
307.08255	1.0
312.58307	0.8
313.08441	1.5
317.06842	42.5
317.10217	1.7
320.05536	17.5
320.09018	2.8
322.07068	4.2
334.07132	23.3
334.10773	4.1
335.07858	20.3
335.11475	2.9
350.06454	38.4
350.10205	100.0
350.13818	10.7
350.23560	9.6
350.28244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1022
Annotation	10-Hydroxydihydrosanguinarine
Peak:m/z	Relative Intensity
70.41734	0.6
84.53693	0.7
88.54971	0.6
93.61968	0.7
109.61339	0.7
113.07766	0.6
126.51895	0.6
187.04773	0.7
248.06900	0.8
261.07944	0.8
262.08755	0.7
264.54346	0.7
289.07248	1.6
292.06146	0.9
305.06870	3.5
306.07666	25.3
306.11188	3.5
316.09683	5.1
317.06909	53.5
317.10446	11.5
318.07516	1.1
318.11084	1.0
320.05502	14.4
320.09186	15.1
334.07095	26.4
334.10782	2.6
335.07828	21.6
335.11594	5.9
335.15173	0.8
350.10165	100.0
350.13943	25.6
355.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.121
Annotation	Voriconazole
Peak:m/z	Relative Intensity
58.09671	0.7
64.51433	0.9
69.03410	2.0
70.06590	2.1
78.72441	0.9
81.03432	1.6
85.02921	1.1
86.06072	6.3
87.04478	1.8
97.02896	1.0
99.04440	1.2
104.07126	1.0
113.02136	2.1
121.06517	0.9
131.01654	1.0
140.68277	0.9
143.03152	9.7
148.74048	1.1
173.24570	1.1
177.60500	0.9
188.06842	4.7
201.06114	5.9
202.06909	1.1
229.25604	1.0
230.07869	9.4
248.11223	1.3
270.10944	1.5
306.13242	1.3
320.05017	1.2
332.11218	1.8
332.16827	1.2
350.12122	100.0
350.16620	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95048	0.5
78.12893	0.5
85.18757	0.6
146.92772	0.5
196.32637	0.6
204.80435	0.6
233.98637	0.6
260.84793	0.6
277.03806	0.6
292.05981	0.8
292.09647	2.9
305.10248	0.7
306.07599	7.4
306.11234	28.0
306.14786	1.0
317.10480	22.5
318.07510	2.2
318.11267	6.5
320.05499	8.7
320.09180	15.9
334.07202	1.9
334.10718	29.5
335.07803	4.8
335.11475	33.1
350.06610	8.4
350.10168	12.4
350.13870	100.0
350.28726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1383
Annotation	Dihydronitidine
Peak:m/z	Relative Intensity
50.93642	0.7
51.45421	0.7
60.62587	0.7
66.24149	1.0
66.63155	0.8
95.08626	1.3
99.50061	1.0
164.30750	0.9
180.61760	0.9
201.05550	0.8
240.84061	1.0
254.38913	1.3
292.13318	5.0
318.11295	3.4
319.08884	1.0
319.11938	6.9
320.05392	4.9
320.09341	1.9
320.13324	6.5
333.27679	1.3
334.10721	96.1
335.08078	4.5
335.11493	100.0
348.12195	1.3
350.10263	7.3
350.13867	98.2
353.29755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1384
Annotation	Dihydronitidine
Peak:m/z	Relative Intensity
66.57767	0.9
74.59133	0.9
92.13497	0.9
93.41147	1.0
111.78529	1.0
119.04271	0.9
120.84142	0.9
202.19467	1.2
222.95793	1.0
243.43254	1.0
253.65024	0.9
276.69934	1.0
285.70789	1.0
288.09995	1.0
290.08295	1.5
302.08191	1.7
304.09747	4.9
306.07593	1.3
318.07809	2.3
318.11267	18.9
319.08582	2.1
319.12048	21.1
320.05515	11.0
320.09509	6.6
334.10721	100.0
335.07803	9.8
335.11456	55.2
350.06635	2.5
350.10095	15.6
350.13867	92.2
355.49640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1386
Annotation	Dihydronitidine
Peak:m/z	Relative Intensity
51.26048	0.4
103.42084	0.5
178.56035	0.5
282.93304	0.7
289.10959	0.6
292.09607	1.3
302.85052	0.6
306.07852	1.8
306.11200	22.8
306.14767	0.9
317.06778	2.5
318.11264	4.5
320.05737	1.1
320.09052	9.6
322.07037	0.6
334.07199	1.1
334.10730	30.8
335.08392	1.2
335.11520	34.9
350.06604	6.9
350.13858	100.0
350.22989	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.72441	0.5
57.03449	0.6
61.89500	0.5
66.02671	0.6
69.03433	6.3
71.04993	0.8
79.05495	14.7
81.03437	7.2
81.07064	60.6
85.02914	9.0
86.06071	5.3
87.04489	1.1
89.33457	0.6
93.20620	0.5
97.02901	10.1
99.04478	5.0
107.04960	1.4
108.04494	0.8
109.02876	12.6
109.03589	1.0
109.06545	0.8
121.06459	1.1
123.12585	0.5
125.05992	100.0
126.05514	0.6
127.03911	13.0
128.07118	1.2
130.36662	0.5
145.04980	1.3
153.05466	90.4
171.06526	25.1
189.07564	1.0
206.13388	0.8
208.19699	0.7
213.07558	3.0
248.11261	0.8
279.08600	5.6
291.24759	0.6
297.09683	33.7
315.10721	43.2
350.14658	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78944	3.5
53.03953	3.8
55.01876	3.9
56.05038	9.0
61.68411	3.1
67.27148	3.0
69.03396	5.0
71.05000	4.6
74.06077	7.4
76.43394	3.2
80.05051	3.9
81.03410	23.4
83.04982	5.8
85.02897	21.1
86.06059	16.7
90.05561	25.3
96.68359	3.7
97.02905	29.1
98.06087	12.0
99.04461	58.4
102.05540	33.1
109.02895	6.1
112.03960	4.3
122.06025	7.5
124.07555	9.1
125.04727	76.2
126.05515	4.0
127.03928	8.3
128.07060	3.7
132.06563	4.4
134.06015	7.3
136.07587	77.2
142.08675	3.7
143.05771	18.4
144.06525	4.6
152.07077	65.7
156.06638	4.9
168.06522	8.2
170.08131	33.9
179.02303	3.9
180.06560	93.1
188.09169	31.0
198.07620	41.9
198.34532	3.6
211.05466	18.0
216.08751	35.0
218.65019	4.1
234.09840	30.1
286.12955	4.6
314.12323	100.0
314.71088	3.8
332.13409	82.3
334.80942	4.5
350.14661	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.06602	0.6
60.24486	0.7
60.57670	0.6
61.02930	1.2
63.50316	0.7
65.96656	0.7
68.05019	1.2
69.03431	14.1
70.06593	0.9
73.02922	4.6
81.03426	2.7
81.07072	0.9
83.46227	0.8
84.04517	1.5
85.02908	8.5
86.06069	100.0
87.04469	20.1
97.02897	6.4
98.06062	4.2
99.04462	1.2
103.03894	0.8
104.07099	14.4
109.02885	4.0
111.04457	1.4
127.03905	7.7
128.07083	16.7
139.03903	7.9
145.04938	1.3
145.92313	0.8
146.08080	1.4
152.07094	1.8
161.04659	4.7
170.05247	1.3
171.06485	7.9
186.13246	1.0
188.07068	6.6
194.08105	1.8
218.06223	1.0
227.06764	1.0
230.10202	14.4
248.11281	17.5
275.87143	0.8
284.10226	4.6
284.74881	0.8
320.05237	0.9
332.17081	1.2
350.06607	2.9
350.12640	6.9
350.18082	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.06602	0.6
60.24486	0.7
60.57670	0.6
61.02930	1.2
63.50316	0.7
65.96656	0.7
68.05019	1.2
69.03431	14.1
70.06593	0.9
73.02922	4.6
81.03426	2.7
81.07072	0.9
83.46227	0.8
84.04517	1.5
85.02908	8.5
86.06069	100.0
87.04469	20.1
97.02897	6.4
98.06062	4.2
99.04462	1.2
103.03894	0.8
104.07099	14.4
109.02885	4.0
111.04457	1.4
127.03905	7.7
128.07083	16.7
139.03903	7.9
145.04938	1.3
145.92313	0.8
146.08080	1.4
152.07094	1.8
161.04659	4.7
170.05247	1.3
171.06485	7.9
186.13246	1.0
188.07068	6.6
194.08105	1.8
218.06223	1.0
227.06764	1.0
230.10202	14.4
248.11281	17.5
275.87143	0.8
284.10226	4.6
284.74881	0.8
320.05237	0.9
332.17081	1.2
350.06607	2.9
350.12640	6.9
350.18082	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08224	0.6
66.30342	0.8
67.05499	1.8
68.72645	0.9
69.07053	2.0
81.07043	1.7
82.77350	1.0
83.08643	1.6
88.01853	0.8
93.07040	1.0
95.08609	3.1
97.36848	0.9
100.84759	0.8
101.16915	0.7
103.05473	1.9
117.06993	1.7
123.04443	5.9
127.46927	0.9
131.04936	11.9
137.05972	10.9
145.06462	10.9
147.04431	9.1
149.05981	90.1
151.07524	1.4
154.96706	0.9
157.06451	4.1
159.08041	3.8
161.06001	3.3
163.07524	33.0
166.08603	1.7
171.07909	1.0
173.05991	1.4
173.09653	1.2
175.07552	6.8
177.09116	5.5
178.49974	1.0
189.09128	3.4
201.09435	0.9
203.10568	1.6
292.09744	1.3
306.07846	1.2
306.11130	6.7
307.08377	1.2
315.19461	10.4
316.09735	7.2
317.10410	16.6
320.05518	1.3
320.09189	21.8
332.22336	1.1
333.20584	1.6
334.10727	4.2
335.07864	2.0
335.11444	10.7
350.10138	8.2
350.13913	46.0
350.23233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05517	30.3
57.07084	41.4
58.28442	2.7
67.05508	66.8
69.07078	45.4
71.08636	35.9
79.05492	34.9
81.07062	80.8
81.36671	3.2
83.08622	49.0
84.97659	3.2
85.06539	7.1
85.10181	20.1
89.32860	3.5
91.05484	14.5
93.07049	73.4
95.08614	100.0
97.06508	4.3
97.10150	29.3
105.07041	6.6
107.08603	53.5
109.10165	40.8
111.08079	3.9
111.38152	3.3
113.03962	3.6
119.08572	6.5
121.10151	67.6
123.11743	13.2
125.09673	12.8
131.08556	17.5
132.25964	3.2
133.10170	14.9
135.08060	7.1
135.11748	34.6
137.13272	6.8
142.12265	8.4
145.10110	16.3
147.11705	5.3
149.09654	17.3
149.13232	14.9
155.14310	18.3
159.11719	5.6
161.13313	5.2
163.11099	7.4
177.16397	18.2
180.14595	4.2
181.12035	3.4
202.66786	3.5
219.21112	5.9
233.22609	6.0
235.86340	3.5
243.21036	29.0
251.23589	4.8
261.22104	69.0
278.24625	36.2
279.23206	68.2
296.25827	62.7
306.07452	6.9
315.20862	14.6
320.05496	41.8
320.08850	4.3
332.23672	6.9
333.21890	14.6
335.07938	26.9
335.11368	4.0
350.06473	19.9
350.10208	53.3
350.27444	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.38555	0.6
70.04658	0.6
70.88252	0.6
73.84966	0.7
81.07038	0.9
91.02549	0.7
91.15041	0.8
91.24330	0.7
95.08631	1.4
121.30330	0.8
128.16995	0.7
148.25630	0.8
178.23228	0.8
191.49458	0.7
215.41994	1.0
309.17456	0.8
320.05518	1.6
335.07886	1.5
350.06546	3.0
350.10196	3.4
350.21060	3.7
350.26645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2691
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
51.51431	1.7
53.00316	2.3
54.96387	1.7
55.05515	15.4
57.07083	3.1
57.81303	1.7
58.02972	2.6
60.04517	3.1
67.05505	14.1
69.07066	43.1
69.49077	1.6
69.68345	1.8
70.06587	3.2
71.08637	38.8
79.05484	15.4
81.07057	27.7
82.06554	2.9
83.08623	17.4
84.08138	8.9
85.10142	1.9
86.06042	2.0
86.09715	3.5
88.11269	66.2
91.05498	9.2
93.07047	11.5
94.06570	10.1
95.08614	22.5
96.08140	3.5
97.06545	2.5
97.10175	12.6
98.09684	2.1
105.07010	3.3
107.08636	9.1
109.10166	9.2
110.09670	2.6
112.07604	2.8
112.76234	1.8
114.09189	2.6
119.08574	3.3
121.10175	9.2
123.08118	2.4
123.11721	3.3
124.11308	2.0
133.10222	3.6
135.11691	3.2
136.11224	2.0
145.10188	2.7
155.61342	1.9
156.13890	3.0
159.11751	2.4
161.13292	2.4
162.12923	1.9
170.15457	4.7
184.16997	3.3
196.16927	2.0
198.18567	3.5
205.69301	2.1
212.16493	8.5
238.17957	2.6
282.28018	2.9
292.22476	2.0
306.07632	3.6
307.31308	3.7
320.05569	19.0
322.07034	2.8
332.25888	2.4
333.29187	3.1
334.06982	2.8
335.07977	13.2
349.85172	2.0
350.06531	11.6
350.10330	26.9
350.27045	63.8
350.34259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2686
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
58.57133	4.2
59.80477	3.2
61.93430	3.3
67.05508	18.1
71.57589	3.7
73.60192	3.8
79.05497	6.1
81.07058	19.9
89.06023	4.4
90.05558	100.0
93.07034	10.0
94.96315	3.8
95.08600	20.2
107.08576	8.3
109.10143	6.1
119.08604	5.6
121.10089	11.0
133.10219	9.3
135.11693	6.3
149.13179	4.6
170.15430	4.7
173.13222	5.5
198.14871	22.0
227.20100	25.7
242.17883	4.9
261.22101	16.0
306.07684	6.8
314.01563	4.9
320.05463	21.8
334.07053	5.5
335.07858	17.7
345.26202	3.9
350.06631	42.7
350.10028	38.3
350.26868	58.4
350.30405	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2688
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
57.06830	0.6
57.07085	13.2
67.05499	0.7
69.07060	0.5
82.73675	0.4
85.06555	6.9
94.06570	12.9
97.09130	0.5
107.08631	0.5
108.08878	0.5
112.02473	0.6
125.38699	0.6
147.11678	0.7
173.48007	0.5
179.14378	0.7
180.14561	1.0
248.20079	100.0
266.21136	2.2
296.57532	0.5
306.07449	2.3
320.05539	2.6
332.25894	3.4
335.07831	2.3
350.06445	2.1
350.10239	8.4
350.26825	39.3
350.30276	2.9
364.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.1
57.07080	0.9
58.06606	5.5
65.27227	0.5
67.31274	0.5
71.08614	0.6
72.08139	2.6
73.02915	0.7
84.08184	0.6
86.06043	3.1
87.04479	1.5
89.06014	1.0
92.15569	0.8
92.65495	0.6
93.07050	0.9
100.07568	1.0
113.15057	0.7
118.08663	4.5
130.08707	2.4
132.10197	24.0
148.09630	1.2
190.05058	0.9
206.13857	2.6
216.50748	0.7
258.24265	70.9
270.24509	0.8
274.04858	0.9
292.06088	1.5
306.07535	4.7
320.05554	5.8
320.08932	1.1
322.07037	4.0
332.27863	3.2
334.07053	1.2
335.07626	4.4
350.06522	28.6
350.10297	11.9
350.14075	1.4
350.22955	11.2
350.28979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11522	0.5
56.05027	1.2
57.07077	1.2
57.11224	0.5
58.06608	7.3
59.58406	0.5
66.80525	0.6
70.06580	0.7
72.08150	2.9
73.02943	0.7
75.04442	0.5
75.84277	0.5
79.63840	0.6
80.56520	0.5
81.07005	0.7
85.84795	0.6
86.06057	1.4
87.04436	1.0
88.32867	0.5
89.06015	0.7
92.20999	0.8
93.19433	0.6
100.07620	2.4
110.24764	0.5
118.08662	4.1
132.10213	23.4
133.06245	0.6
148.09686	3.1
179.81328	0.6
182.18954	0.7
206.13882	1.4
258.24277	76.4
270.24399	0.7
278.08160	0.7
289.06918	0.7
292.06180	1.1
301.65402	0.7
306.07678	7.0
306.10910	0.8
320.05478	8.5
322.07065	2.4
322.10629	0.8
322.63205	0.7
332.27838	2.6
334.06967	4.5
335.07898	8.7
350.06488	13.6
350.10242	23.8
350.13635	2.0
350.23532	4.6
350.28995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
65.84772	0.5
69.07065	1.1
70.06609	1.9
78.61068	0.5
81.07063	2.8
83.08614	0.7
85.05784	0.5
95.08598	2.8
108.08110	1.1
109.07638	4.6
109.10142	0.8
123.08047	0.9
126.12814	0.7
155.43900	0.6
164.14201	0.7
166.14642	0.8
167.15398	1.1
178.15904	0.7
179.14270	4.6
180.14691	4.7
288.26825	3.4
289.25317	0.6
305.29398	3.0
309.24030	0.7
316.26355	6.2
320.05484	3.8
324.53931	0.6
333.25403	0.7
333.28983	20.5
335.07819	3.1
350.06454	3.0
350.10202	5.2
350.27890	5.7
350.31631	100.0
367.09558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23026	1.7
51.67048	1.6
55.05526	14.8
57.07071	4.7
67.05510	8.7
69.07076	22.8
71.08638	37.7
79.05472	3.2
81.07063	12.8
83.08620	15.7
85.10220	2.4
86.09702	2.9
88.11271	69.4
92.21514	4.2
95.08611	11.5
97.10146	2.6
109.10194	4.7
114.09180	2.3
121.10119	2.5
133.10159	3.7
134.83926	2.0
163.32074	1.9
170.15334	2.4
182.15491	2.1
184.16888	2.4
191.77556	2.3
198.18527	4.1
212.20087	2.0
243.09645	2.0
299.23224	2.0
309.16217	2.1
320.05576	4.0
350.06564	7.2
350.10245	13.4
350.26941	11.4
350.34174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97218	1.8
52.28465	1.5
56.22044	1.7
59.55478	1.6
60.76355	1.6
65.04272	1.6
82.60565	1.9
83.67587	2.0
85.02905	2.0
87.59473	1.8
93.75739	1.8
99.04438	1.9
107.64116	1.8
143.01833	3.4
157.03426	2.7
171.03220	2.4
178.39029	2.0
185.02988	2.0
187.04512	2.7
189.00603	3.0
194.48903	2.3
201.06151	4.4
203.04013	3.6
245.05223	2.5
249.02766	3.6
251.06113	2.3
267.03839	4.0
291.05978	2.5
302.21014	2.1
351.06842	100.0
351.12231	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99492	1.5
56.95638	2.0
59.68673	1.5
83.74738	1.6
85.02859	2.1
103.75515	1.8
131.89342	2.1
133.99167	1.7
142.08658	2.0
156.60004	1.8
194.42566	2.5
231.03128	2.6
274.12927	2.0
307.76138	2.3
337.45087	2.0
350.97598	3.1
351.06793	100.0
351.11285	3.2
351.18414	8.3
364.42941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47586	1.0
69.51890	1.1
74.76772	1.0
82.60548	1.2
84.08146	4.6
85.02927	2.5
112.33641	1.0
115.28952	1.2
116.05334	1.2
142.76074	1.1
173.02966	1.5
177.05550	2.7
189.01573	1.1
200.92415	1.1
207.02798	1.4
245.05077	2.2
267.13361	2.7
351.06876	100.0
351.18427	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37778	1.5
63.82020	1.5
73.06174	1.5
78.19815	1.8
84.08154	2.5
116.24995	1.8
119.01919	2.8
127.02393	2.5
130.08650	3.9
133.03450	17.3
142.08649	7.3
143.01897	18.4
145.03456	17.7
151.04512	3.7
155.01917	19.9
157.03479	22.7
161.02985	19.6
169.03522	2.2
171.03239	3.6
173.02960	23.7
173.04254	3.8
175.04510	28.1
185.02963	28.1
187.04543	25.6
189.02486	8.4
189.04306	1.9
189.50667	1.9
203.04004	70.0
203.05785	3.7
215.03990	11.2
221.05106	11.2
245.05093	39.9
246.13380	2.9
256.11755	4.0
263.06107	28.0
273.04568	7.4
274.12860	8.7
291.05597	19.5
309.06717	26.0
351.07715	100.0
351.21338	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48732	0.8
66.54275	0.9
69.39400	0.8
121.54530	0.9
155.66176	1.0
164.02541	0.8
259.72308	1.2
293.06369	3.9
318.07092	2.2
320.05466	12.8
321.05853	100.0
335.07816	2.2
336.08191	59.3
351.10535	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1186
Annotation	bisanthene
Peak:m/z	Relative Intensity
55.31870	0.9
57.35480	1.1
60.02648	1.0
61.02925	1.1
69.03416	5.8
69.03755	1.1
71.04984	1.4
72.04517	100.0
73.02937	1.2
81.03419	6.3
85.02905	1.2
99.04452	5.2
108.04496	4.0
109.02864	1.2
117.05500	4.6
135.04111	1.2
136.03925	2.8
151.45419	1.3
164.03418	2.1
166.08594	4.7
177.05513	1.8
190.04999	7.6
205.03714	4.5
206.04286	1.6
215.05751	1.3
216.06525	1.6
218.04462	2.6
221.12900	2.3
232.06032	13.8
235.07104	28.5
244.06012	13.9
262.07065	6.2
263.06561	1.7
267.13382	6.2
274.06979	5.1
280.08090	9.9
287.10132	1.2
291.09772	1.7
292.08096	9.3
303.09692	21.7
310.20245	1.3
315.09756	7.2
316.08252	1.1
333.10831	11.9
351.11841	93.6
351.15439	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19093	1.3
61.02921	1.5
63.12044	1.2
69.03425	7.7
70.06586	1.7
72.04507	1.3
73.42421	1.3
76.04005	1.3
76.21136	1.3
81.03418	17.4
84.04507	2.0
84.08162	2.0
85.02903	7.6
86.09708	63.3
95.04960	1.8
96.04485	6.8
97.02884	3.6
99.04445	2.9
108.04485	6.0
108.58291	1.5
111.90422	1.3
112.03996	2.7
117.07074	2.1
122.06036	1.9
127.03975	2.5
127.40515	1.4
128.10754	7.2
129.10233	2.4
130.05011	3.4
135.08049	6.4
138.05484	6.9
143.05806	2.0
145.02856	19.7
145.06139	1.6
152.19171	1.6
154.04980	21.6
156.06538	2.1
164.10706	57.7
168.10222	7.2
177.05464	36.6
189.12367	11.7
194.11765	7.2
196.13358	7.3
202.07149	9.2
212.12819	20.5
217.46716	1.8
230.13873	27.7
249.12251	3.0
267.10495	3.5
267.13376	100.0
295.72620	1.7
297.14404	11.5
315.15494	58.6
333.16589	34.4
351.11578	2.4
351.17221	15.5
373.34045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19093	1.3
61.02921	1.5
63.12044	1.2
69.03425	7.7
70.06586	1.7
72.04507	1.3
73.42421	1.3
76.04005	1.3
76.21136	1.3
81.03418	17.4
84.04507	2.0
84.08162	2.0
85.02903	7.6
86.09708	63.3
95.04960	1.8
96.04485	6.8
97.02884	3.6
99.04445	2.9
108.04485	6.0
108.58291	1.5
111.90422	1.3
112.03996	2.7
117.07074	2.1
122.06036	1.9
127.03975	2.5
127.40515	1.4
128.10754	7.2
129.10233	2.4
130.05011	3.4
135.08049	6.4
138.05484	6.9
143.05806	2.0
145.02856	19.7
145.06139	1.6
152.19171	1.6
154.04980	21.6
156.06538	2.1
164.10706	57.7
168.10222	7.2
177.05464	36.6
189.12367	11.7
194.11765	7.2
196.13358	7.3
202.07149	9.2
212.12819	20.5
217.46716	1.8
230.13873	27.7
249.12251	3.0
267.10495	3.5
267.13376	100.0
295.72620	1.7
297.14404	11.5
315.15494	58.6
333.16589	34.4
351.11578	2.4
351.17221	15.5
373.34045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05499	0.9
57.03432	1.2
60.04516	0.8
67.05498	3.3
79.05487	4.9
81.07061	5.9
91.05457	1.9
93.07035	5.2
95.08600	1.9
95.15990	0.7
97.10177	0.8
105.07042	4.0
107.08595	4.6
107.58324	0.8
109.10149	1.6
119.08579	4.4
121.10115	3.2
133.10130	4.5
135.08095	0.7
135.11696	3.9
137.05977	1.5
145.02853	1.2
145.10139	1.4
147.11681	1.7
149.13336	1.1
159.11728	1.4
161.13246	3.2
171.11592	0.9
177.05487	5.6
177.07846	0.8
211.88118	0.8
241.19574	1.6
259.20642	6.5
295.09735	1.1
308.09128	1.0
320.09155	1.3
321.05875	1.3
323.09015	4.0
334.10565	1.8
336.08350	1.2
351.06656	18.5
351.11288	7.0
351.21371	100.0
351.25259	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05500	0.9
72.56950	0.7
81.07074	0.9
93.07071	0.8
95.08635	0.9
101.27067	0.6
107.08652	0.8
117.06960	0.7
136.56097	0.7
141.81897	0.7
156.88638	0.7
307.08017	3.0
308.09106	1.2
319.08472	1.5
321.05872	4.6
322.10764	4.9
334.10587	6.7
336.08362	0.9
351.10873	11.9
351.21396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90340	0.7
67.47331	0.6
74.95861	0.6
76.77996	0.6
84.59457	0.7
99.90452	0.6
120.51208	0.7
133.26302	0.8
134.67081	0.7
147.11696	0.9
167.28708	0.6
322.10645	0.8
351.21408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35617	0.9
58.77654	0.7
61.87745	0.7
62.11127	0.9
67.05497	1.1
70.84186	0.9
79.05477	1.3
105.07034	1.1
107.08567	1.7
133.10110	1.1
148.90562	1.0
174.64720	1.0
177.05482	1.7
184.05376	0.9
259.20563	1.3
290.08176	1.0
304.05972	1.5
307.08191	3.5
307.11444	8.6
308.09299	1.6
318.10944	7.3
319.08231	8.0
319.11569	1.8
321.05792	2.0
321.09375	5.9
322.10895	11.9
322.90207	1.1
323.11249	1.4
334.10779	14.4
335.10776	8.5
335.14468	1.4
336.08176	3.0
336.11783	10.8
336.15247	1.5
351.10596	11.4
351.14337	31.6
351.17886	3.6
351.21313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05511	4.9
57.03446	2.4
65.39452	1.0
67.05509	10.0
69.07061	5.6
69.88536	1.1
79.05477	9.2
81.07058	16.0
83.08611	2.8
91.05485	5.2
93.07041	17.4
95.08608	10.2
97.06516	1.5
105.07030	8.6
107.08617	13.5
109.06499	5.1
109.10146	2.6
111.04460	12.0
119.08568	12.0
120.81146	1.2
121.10160	11.6
125.05953	2.4
131.08557	5.4
133.10115	10.1
135.08098	1.8
135.11681	12.9
137.05977	100.0
137.09534	1.2
140.36925	1.3
143.08539	2.0
145.10146	5.7
147.11696	11.8
149.09602	3.0
149.13266	5.5
151.07547	1.6
157.10112	2.8
159.11674	5.9
161.09625	5.4
161.13268	7.1
163.11200	4.9
171.11661	3.0
173.13347	2.3
175.11160	3.1
175.14796	2.2
185.13242	2.4
189.12680	1.7
201.59560	1.5
203.18002	5.3
211.30676	1.6
213.16406	2.4
231.17415	2.5
241.19543	2.6
249.18616	2.7
259.20673	14.0
277.18018	32.1
295.18933	5.2
333.24170	1.6
351.10745	2.3
351.21533	32.9
351.25333	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.01879	2.3
55.05511	1.1
55.54455	0.4
57.03434	3.3
57.07083	0.8
61.70470	0.4
63.53534	0.4
65.97572	0.5
67.05527	4.6
69.07060	2.9
71.08603	0.4
74.32333	0.4
79.05486	4.0
81.07067	12.9
81.07544	0.6
82.14196	0.5
83.04980	0.9
83.08640	1.1
91.05467	2.9
93.07042	6.3
95.08618	6.3
101.62490	0.6
103.76958	0.6
105.07033	3.7
105.12140	0.4
107.08615	6.2
109.06516	5.6
109.10152	3.5
111.04451	12.9
111.08061	0.7
119.08597	5.5
121.10138	5.6
123.08053	0.8
123.11695	0.7
125.05999	4.0
131.08553	2.4
133.10155	5.3
135.08081	2.0
135.11703	7.7
137.05989	100.0
137.09573	1.2
137.13275	0.8
143.08589	0.8
145.10167	2.5
147.08047	1.1
147.11693	7.3
149.09683	3.4
149.13252	1.2
151.07599	2.7
151.11214	0.6
157.10136	1.1
159.11740	1.1
161.09607	5.5
161.13226	3.6
163.11176	2.4
163.14833	0.7
165.09142	2.4
165.12796	0.7
175.11200	4.3
175.14795	1.0
179.10757	1.0
189.12749	1.0
203.17987	4.4
213.16409	2.6
221.18930	0.8
231.17381	4.4
241.19592	0.8
249.18594	4.1
259.20575	5.2
277.18015	31.2
277.21017	1.1
295.19125	4.3
351.21625	29.4
351.25418	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05519	2.1
57.00921	1.5
57.03445	3.6
62.34005	1.4
67.05502	8.6
69.07068	9.7
79.05484	6.6
81.03416	1.7
81.07063	14.5
83.04990	3.5
83.08640	1.8
91.05492	2.7
93.07050	8.5
95.04977	6.7
95.08616	11.2
95.38889	1.8
97.06521	2.2
98.85709	1.6
99.72397	1.7
105.07005	3.3
107.08607	3.0
109.06530	3.4
109.10156	2.1
111.04472	12.6
111.08133	1.7
117.30685	1.5
119.08602	5.9
121.10139	6.7
129.09555	1.6
131.08592	1.8
133.10149	7.0
135.11710	6.6
137.05989	100.0
147.11700	7.7
151.07526	2.6
151.11195	3.7
159.57619	1.8
161.09604	3.2
163.11174	1.9
165.08961	1.9
165.12856	1.7
177.05386	1.7
203.17943	3.2
232.10645	1.7
249.18451	3.7
277.17981	25.3
277.21478	7.0
295.19049	8.5
336.08047	2.1
351.10648	6.9
351.21588	26.6
351.26224	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51775	0.7
55.01876	1.1
55.05505	3.9
57.03437	4.2
67.05515	7.8
69.07061	6.6
71.08624	4.6
79.05503	8.2
81.07061	15.8
83.04993	1.9
83.08625	2.0
85.06545	1.4
91.05465	2.2
93.07054	9.0
95.04964	1.1
95.08580	6.7
97.06527	2.0
99.08087	1.8
105.07027	5.9
107.08601	9.4
109.06511	5.8
109.10156	5.3
111.04446	13.7
119.08568	6.0
121.10140	8.6
123.08105	1.2
123.11729	1.5
125.05975	4.8
129.94212	1.0
131.08565	3.6
133.10149	4.8
135.08018	0.9
135.11694	6.5
137.05980	100.0
145.02827	1.2
145.10077	1.0
147.11690	5.8
149.09599	3.7
149.13257	1.8
151.07533	3.7
151.11165	4.1
153.00462	0.9
161.09636	6.5
161.13245	1.8
163.11195	3.8
165.09103	2.1
171.11743	1.4
175.11215	2.1
177.05399	2.9
179.14279	5.1
193.12341	1.0
203.17932	3.5
206.13850	0.9
213.16315	1.5
231.17365	5.4
249.18474	5.9
253.96835	0.9
259.20471	1.8
277.18021	32.7
277.21530	4.1
295.19061	7.4
319.08502	1.2
320.09213	1.2
321.05899	1.0
334.10843	1.6
336.08405	1.7
351.10583	5.5
351.21588	28.3
351.25381	17.5
368.11365	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14873	1.4
55.05513	8.5
56.53182	1.7
57.03431	9.0
57.07075	2.5
67.05504	32.3
69.07064	9.8
71.08624	3.7
79.05505	26.3
81.07062	39.7
83.08611	2.5
91.05489	22.2
93.07041	46.8
95.08611	24.9
97.10145	2.2
99.99934	1.8
105.07052	36.6
107.08595	32.5
109.06520	11.1
109.10159	10.2
111.04459	15.9
117.07042	4.2
119.08578	36.8
121.10129	28.0
123.11686	3.8
125.05918	3.0
129.07005	2.7
129.42509	1.8
131.08597	12.2
132.10187	2.8
133.10139	39.4
133.31775	1.9
135.11678	28.5
137.05981	100.0
139.70352	1.8
143.08540	4.6
145.10120	19.4
147.11682	37.7
149.09702	2.2
149.13266	11.9
151.11174	2.0
157.10144	9.3
159.11749	18.9
161.09628	4.6
161.13274	22.8
163.11140	8.0
166.95110	2.0
171.11717	10.8
173.13307	8.6
175.11217	4.5
175.14859	10.4
185.13266	9.8
187.14828	2.3
199.14825	4.5
203.17917	2.6
213.16425	2.4
231.17360	3.3
231.21072	2.3
241.19543	16.2
249.18407	2.7
258.24173	3.5
259.20535	65.8
259.24536	19.5
277.17981	35.6
292.05609	3.1
295.18994	3.5
307.08041	2.1
321.05576	2.1
323.07288	2.1
336.08234	3.3
351.06918	10.7
351.10748	11.8
351.21509	38.1
351.25293	91.7
351.29324	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.39908	1.0
53.03943	4.8
55.01870	2.4
55.05520	12.2
57.03431	7.8
57.07069	1.7
59.59273	0.9
67.05181	1.8
67.05512	41.3
69.07074	29.0
71.04987	1.7
71.08634	9.6
75.09071	1.0
75.18406	1.0
79.05076	1.4
79.05499	24.9
81.03429	34.7
81.07064	40.1
83.04982	13.7
83.08610	7.4
85.06580	1.2
85.10167	1.6
91.05480	12.1
93.07047	29.0
95.04971	29.3
95.08604	19.3
96.55357	1.1
97.06588	1.6
97.10163	7.7
99.08092	5.9
101.60507	1.3
102.53797	1.1
105.07032	15.6
107.08591	23.6
109.06522	7.5
109.10155	16.2
111.08067	2.6
117.07021	1.8
119.08564	11.3
121.06543	2.7
121.10159	9.9
123.08066	2.0
123.11699	5.1
125.09633	6.1
131.08537	1.3
133.10109	15.7
135.08018	2.6
135.11676	8.3
139.03545	1.0
145.10229	1.3
147.08052	1.5
147.11658	7.3
149.09592	1.8
149.13251	5.0
151.11177	30.4
151.14694	1.3
157.10052	1.3
158.97377	1.2
159.11746	1.2
161.13223	7.1
163.11124	1.7
163.14793	1.8
165.12709	7.2
171.11732	1.3
175.14684	1.6
175.39429	1.2
179.14282	2.1
189.12752	2.0
231.21190	4.9
241.19589	1.6
249.21962	1.6
259.20575	4.7
277.21634	59.9
305.08530	1.2
305.24591	5.0
313.92307	1.3
315.23190	1.5
331.96231	1.3
333.24136	9.7
335.09772	5.5
349.71848	1.4
351.10480	2.0
351.18179	4.4
351.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43755	2.9
53.03946	3.8
53.06849	2.5
55.01873	3.1
55.05532	7.3
56.02072	3.1
57.03429	4.0
57.07080	3.0
57.38854	3.0
67.05499	28.3
69.07054	19.8
75.24928	3.2
79.05481	14.5
81.03428	17.5
81.07062	28.9
91.05460	7.2
93.07034	21.4
95.04955	17.3
95.08590	18.5
95.72614	3.8
97.10174	6.0
105.07014	7.3
107.08591	20.3
109.06508	23.7
111.04468	5.5
119.08617	6.8
121.10133	6.1
122.64503	3.6
133.10149	13.4
135.11699	6.0
137.05974	40.7
147.11702	4.4
151.11168	14.1
161.13324	5.4
165.12727	18.5
171.42033	3.4
177.05444	5.9
189.33437	3.4
259.20615	5.8
261.57019	3.7
277.18042	13.6
277.21622	27.7
289.21667	13.6
298.31384	3.9
307.95477	3.5
325.61926	4.2
351.10678	6.1
351.21573	17.8
351.25275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Methyl 2beta,3beta-dihydroxy-8(17),13E-labdadien-15-oate
Peak:m/z	Relative Intensity
55.05514	10.3
57.03439	3.9
57.07070	2.3
67.05514	29.4
68.22157	2.0
69.07074	30.8
71.08617	8.6
79.05493	20.1
81.03409	20.2
81.07067	30.7
83.04966	8.5
83.08631	10.6
91.05469	14.2
93.07043	30.7
95.04987	24.7
95.08619	17.0
96.37677	2.0
97.10133	2.8
105.07034	11.2
107.08602	16.2
109.06512	9.0
109.10151	12.0
111.04480	2.8
119.08604	4.9
121.10126	5.5
123.11639	2.9
125.09623	5.8
133.10129	14.9
135.08130	3.1
135.11664	5.3
137.05980	20.1
143.08571	3.9
143.56947	2.6
145.02888	3.7
147.11705	10.7
149.13211	3.8
151.11131	22.4
161.13242	11.2
165.12817	3.3
175.14864	2.8
177.05498	3.6
179.14296	3.6
211.85774	2.3
213.86444	2.6
241.19504	3.0
259.20514	3.0
267.88425	3.1
277.18262	4.4
277.21597	48.1
333.24402	5.6
351.10666	9.5
351.21405	6.1
351.25284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25406	2.3
51.04334	2.2
55.01870	4.4
55.05517	19.1
57.03435	16.8
57.07109	2.9
60.88681	2.2
61.02924	4.1
67.05514	39.8
68.34153	2.4
69.03429	3.6
69.07075	30.6
71.08633	49.1
78.87091	2.6
79.05495	32.9
81.03441	6.5
81.07057	45.7
83.04996	6.3
83.08613	12.4
85.00041	2.5
85.06541	3.2
91.05486	25.8
93.07037	45.3
95.04964	5.3
95.08613	41.3
97.06516	4.1
97.10123	3.0
99.04436	6.4
99.08079	24.2
105.07018	29.8
107.04941	5.3
107.08591	36.1
109.06519	14.0
109.10159	17.6
116.57160	2.6
117.07075	4.3
119.08564	26.9
121.06472	4.1
121.10143	19.6
121.14078	2.6
123.11710	6.1
129.06966	5.1
131.08514	5.2
133.10115	22.4
135.11708	19.4
137.09668	3.6
145.10159	11.6
147.11687	17.8
148.04745	6.6
149.13268	12.1
151.11182	23.3
151.39554	2.9
153.58618	2.7
159.11662	5.0
161.13249	13.6
163.11218	13.8
165.12845	3.8
166.16808	3.0
171.11679	5.2
174.98894	3.5
175.14864	3.1
179.14377	19.9
181.12137	4.2
189.12732	4.8
199.14760	3.2
215.89375	3.8
221.15170	3.1
235.16888	20.6
241.19438	4.4
259.20605	21.0
259.23444	3.0
265.45535	2.8
277.21564	45.2
305.24588	4.8
310.09833	2.9
333.13629	5.4
333.23813	5.0
333.27283	5.1
335.09656	4.0
351.10898	3.4
351.14511	5.6
351.18298	17.8
351.25397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.4
55.01873	1.5
55.05518	13.6
57.03434	9.1
57.07082	1.4
57.31784	1.2
63.66653	1.5
67.05507	28.3
69.07077	16.0
71.04965	2.2
71.08633	35.4
79.05499	22.5
81.03399	1.6
81.07063	25.8
83.04990	7.9
83.08626	9.3
85.06552	2.5
91.05476	18.3
93.07036	33.0
95.04973	3.3
95.08601	22.4
97.06546	7.4
97.10172	2.6
99.08089	16.3
105.07030	19.3
107.04962	2.9
107.08590	18.2
109.06522	3.3
109.10142	12.4
111.08049	1.6
117.06969	2.8
119.08586	17.7
121.06480	1.8
121.10163	10.9
123.08086	2.5
123.11671	1.9
127.11228	1.4
129.07018	2.3
131.08574	3.0
133.10115	14.3
135.08078	1.8
135.11700	12.4
137.09628	2.9
143.08517	1.7
145.10110	6.9
147.11674	14.4
149.13251	2.6
151.11140	20.5
159.11674	3.1
161.13278	11.4
163.11154	8.0
163.14769	2.7
165.12749	18.6
171.11737	2.6
173.13179	5.3
179.14322	11.4
185.13136	5.0
195.93266	1.4
221.13222	1.5
241.19548	6.0
259.20593	9.4
277.21591	29.7
281.85132	1.4
289.21613	3.2
333.24448	3.0
335.09769	2.2
351.12753	2.2
351.25299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Brassicicene B
Peak:m/z	Relative Intensity
55.05514	6.8
57.03432	1.5
59.94133	1.7
67.05229	1.5
67.05505	25.1
69.07056	8.7
79.05495	27.0
81.07061	22.9
83.08621	8.1
91.05478	21.7
92.21520	3.0
93.07043	40.2
95.08611	20.4
105.07036	30.4
107.08591	26.8
109.10159	7.9
117.06986	7.4
119.08571	34.1
121.10122	17.5
129.06985	4.0
131.08542	12.2
133.10129	35.5
135.11716	21.9
137.70784	1.8
145.10130	17.9
147.11671	38.9
149.13245	14.1
153.12842	1.7
157.10149	3.9
159.11725	14.2
161.13240	20.5
163.11105	1.7
169.56931	1.5
171.11713	6.4
173.13225	7.4
175.14803	10.1
177.05476	7.1
185.13264	8.0
192.96349	1.7
207.00491	2.1
213.16270	2.7
231.21056	2.7
241.19594	14.2
259.17960	3.1
259.20560	54.2
351.10535	7.3
351.21066	4.2
351.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
50.58683	1.3
55.05521	8.8
55.17110	1.4
57.03432	2.3
67.05501	17.3
69.03442	2.0
69.07056	4.2
69.60805	1.8
71.54366	1.8
75.16980	1.6
79.05509	18.8
81.07059	17.8
83.04965	3.0
83.08610	2.2
91.05488	13.6
93.07053	31.6
95.04977	3.1
95.08613	17.3
97.06539	7.3
105.07039	17.9
107.08579	20.1
109.06522	22.1
109.10150	8.5
117.07010	3.4
119.08575	24.2
121.10126	11.6
123.08097	2.5
129.06972	4.0
131.08571	8.2
133.10126	21.4
133.76698	1.7
135.08115	2.7
135.11708	19.0
137.05949	2.2
145.10136	9.4
147.11694	22.0
149.13260	4.6
159.11684	10.0
161.13237	8.9
163.11096	6.5
165.12738	17.5
171.11707	4.3
173.13164	2.1
175.14803	3.9
177.05482	2.2
178.31102	1.7
185.13336	2.7
199.14812	2.5
241.19559	8.3
259.20621	30.1
277.21487	2.1
289.21594	13.0
321.05905	4.0
333.24161	3.6
336.08060	2.1
351.10657	7.6
351.21005	4.0
351.25293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
57.01820	0.8
57.03428	1.2
57.07071	1.6
66.85328	0.8
67.05512	20.3
69.07054	6.4
79.05069	1.5
79.05492	23.8
81.07061	23.6
83.08602	6.7
85.06537	2.0
90.64950	0.9
91.05473	21.7
93.07037	37.9
95.04961	3.8
95.08604	16.6
97.06520	1.4
97.10162	1.3
99.08120	1.9
105.07027	31.3
107.08592	25.9
109.10154	8.7
117.07011	6.0
119.08567	31.9
121.10139	24.3
129.06992	2.3
131.08531	9.7
133.10133	29.1
133.11073	0.9
135.11681	19.8
143.08519	5.3
145.10112	14.4
147.11679	32.1
147.12735	1.9
149.13248	16.0
152.35913	1.0
157.10097	4.7
159.11732	13.4
161.12018	1.8
161.13242	23.8
163.14743	2.3
171.11681	8.2
173.13239	6.6
175.14809	13.3
177.12721	1.5
185.13251	6.4
187.14862	1.8
189.12715	1.3
199.14778	6.2
213.16380	2.0
217.19382	1.3
221.66899	1.1
231.17404	1.5
231.21069	4.6
241.19475	20.4
259.20541	63.8
277.21362	1.2
351.06885	9.0
351.10867	2.7
351.25269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
56.48920	0.5
57.07087	5.6
57.07323	0.6
58.41027	0.7
65.21613	0.6
69.07057	0.9
71.08633	0.7
75.71282	0.8
81.07059	1.2
83.08649	0.8
85.06535	3.6
93.07040	1.4
95.04949	1.6
95.08598	1.1
107.08575	1.0
109.10159	0.7
117.44514	0.7
123.08089	0.8
127.87441	0.9
133.10216	0.9
137.05977	1.6
147.11749	1.0
151.11162	0.7
179.10709	2.7
194.80341	0.8
249.18478	100.0
295.21652	0.9
314.49344	0.7
333.24228	3.5
351.10684	1.6
351.24741	1.5
351.28412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73953	1.5
55.05512	2.5
56.05033	2.5
58.06605	4.3
59.06119	3.8
67.05498	9.2
68.05016	1.8
69.07063	8.2
71.14296	1.5
72.08139	2.1
79.05492	11.5
81.07069	17.9
82.06586	2.2
91.05437	4.2
93.07051	12.9
94.06588	2.8
95.08587	11.1
96.08128	3.5
98.09708	2.5
105.07040	7.1
107.08588	8.7
108.08073	2.5
109.06537	3.0
109.10138	4.0
110.09668	3.0
119.08619	7.1
121.10132	9.3
122.09706	1.8
131.08557	2.6
132.08092	1.9
133.10124	7.6
135.11670	3.0
147.11676	2.2
161.13156	2.2
168.13821	2.5
189.00455	2.6
213.08528	1.8
248.11006	1.8
256.31412	1.8
292.22852	8.2
306.24200	2.5
324.25177	4.1
333.25461	10.5
351.15469	9.8
351.22919	5.5
351.26462	100.0
351.30066	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88224	3.0
54.38260	2.0
55.05518	6.9
56.97743	2.4
57.07071	2.3
61.12459	2.4
65.18345	2.9
67.05511	30.7
69.07067	16.0
71.08637	4.5
71.14790	3.0
72.04517	54.1
79.05486	6.0
81.07063	43.2
83.08614	6.2
89.07136	21.1
93.07034	15.1
95.08605	38.6
97.10162	5.9
97.55930	2.6
99.08060	4.2
107.08591	12.7
109.10156	17.2
119.08608	6.5
121.10123	10.6
123.11699	4.1
123.62237	2.6
133.10112	3.9
135.11697	5.0
147.11688	4.3
150.55193	2.8
174.51198	2.7
263.23792	4.5
292.26300	3.9
299.23740	5.7
310.31091	5.8
317.24719	5.4
334.27399	100.0
351.10559	5.7
351.30133	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87107	0.5
55.05511	0.8
57.05815	0.8
65.25483	0.5
67.05494	0.7
69.07066	1.4
69.77244	0.6
70.06596	3.6
71.08644	0.9
81.07085	2.1
88.11283	0.8
90.65517	0.5
91.94285	0.6
93.07059	2.1
95.08595	2.3
96.08109	0.6
97.10184	0.9
103.71128	0.6
107.08596	0.9
107.71452	0.6
109.07650	1.4
124.80025	0.6
137.05977	1.2
159.11618	0.6
206.19049	0.9
209.20091	1.4
237.16113	0.7
258.50354	0.6
263.10831	0.6
305.29572	3.9
316.26382	2.5
333.28995	29.2
334.27509	3.3
351.10458	0.8
351.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16218	1.0
60.13462	1.0
65.58044	1.0
67.17683	1.0
75.76894	1.2
84.08111	1.7
84.74459	1.2
87.04459	1.6
88.11269	7.0
120.08081	1.7
129.46703	1.4
138.52365	1.2
234.97652	1.3
246.76756	1.3
247.10806	1.5
264.01459	2.5
264.04196	56.4
308.03165	100.0
322.07239	2.5
337.09439	5.0
337.13400	1.3
352.02216	9.1
352.07959	2.1
352.11801	7.3
369.47986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0808
Annotation	Isofiliformine
Peak:m/z	Relative Intensity
81.19896	0.2
91.05447	0.2
119.04969	0.4
135.04405	3.1
149.05981	1.3
174.05481	1.1
175.03911	0.2
176.07094	0.2
221.05984	0.3
223.07561	0.2
248.07028	0.4
249.05463	0.8
249.72804	0.2
266.08093	2.8
267.06601	0.3
276.06412	0.3
278.08188	0.5
279.06271	0.4
280.09775	0.4
286.86017	0.2
292.06235	0.3
294.07651	2.2
296.09137	4.8
306.07513	2.1
307.05872	0.3
308.05679	2.7
308.09180	0.9
308.12585	1.8
309.06332	1.5
320.09244	0.2
320.12756	0.3
322.07062	2.7
322.10736	1.0
323.07877	1.9
324.08624	45.1
334.07208	0.2
336.08688	0.3
336.12238	3.1
337.05542	0.4
337.09329	0.7
337.13037	1.3
350.03342	0.2
350.06528	9.1
352.08105	100.0
352.15366	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0812
Annotation	Filiformine
Peak:m/z	Relative Intensity
69.03419	0.4
71.83186	0.4
76.93575	0.4
81.03419	1.9
82.03761	0.6
92.81239	0.4
103.05495	0.4
119.04922	0.4
135.48654	0.5
147.09175	0.9
159.09195	0.5
173.07014	0.5
173.11798	0.6
175.03931	1.1
176.04160	1.7
194.35037	0.5
207.06454	0.9
208.06851	2.4
210.01230	0.5
219.07642	0.7
225.07811	4.0
253.07416	0.6
257.06772	2.0
265.07312	11.8
281.06747	4.3
286.07108	2.4
306.07584	3.4
308.09305	0.8
309.06296	27.6
319.08289	1.6
322.07022	1.0
324.04938	0.8
324.08640	19.7
324.12448	0.7
334.07092	3.3
337.05664	5.8
337.09436	7.2
352.08093	100.0
352.15186	2.7
361.31549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0808
Annotation	Isofiliformine
Peak:m/z	Relative Intensity
58.49680	0.4
60.83875	0.4
65.47784	0.4
70.25732	0.4
70.37029	0.5
81.91232	0.5
84.22624	0.4
93.46349	0.5
117.41795	0.5
133.47227	0.5
141.52515	0.5
175.88911	0.5
225.07852	3.5
238.50761	0.5
241.07445	0.7
247.63705	0.5
253.07246	0.9
257.06784	1.2
264.06607	0.5
265.07306	12.7
268.05963	0.6
281.06805	5.7
286.07144	2.2
306.07446	2.7
309.06290	28.2
322.07156	0.9
324.08652	26.7
334.07025	1.2
337.05789	6.1
352.08130	100.0
352.11481	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0816
Annotation	Isofiliformine
Peak:m/z	Relative Intensity
51.46183	0.8
55.05501	1.0
57.07084	1.7
67.05512	4.4
69.27150	1.0
81.07050	5.2
83.08653	1.6
93.07022	1.7
95.08608	5.4
109.10151	1.7
219.66692	1.2
286.65750	1.2
294.07690	2.6
307.08279	1.6
308.05496	32.7
308.09076	10.4
308.12857	10.4
319.08496	5.8
320.05664	2.4
320.09091	3.7
320.12485	1.4
322.07098	87.1
322.10568	6.0
324.12173	2.1
335.29477	5.5
336.05032	31.5
336.08807	2.4
336.12170	14.9
337.05722	19.0
337.09402	81.8
337.13110	11.6
352.08038	63.0
352.11752	100.0
352.15485	26.2
352.25174	1.5
352.31912	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0814
Annotation	Filiformine
Peak:m/z	Relative Intensity
62.58261	1.2
67.95803	1.1
80.44102	1.0
81.02806	1.1
101.22285	1.3
103.06236	1.5
104.30470	1.1
112.40089	1.1
146.98535	1.2
149.02344	2.9
248.07138	5.2
260.07056	1.4
276.06567	6.5
278.08133	9.9
288.06482	8.4
304.06296	1.4
305.06976	11.9
306.07590	100.0
308.09448	2.0
308.12759	23.0
320.12811	7.4
321.07983	4.2
321.11230	9.2
322.10822	10.9
332.05585	7.1
334.07089	42.8
335.07739	4.5
336.12250	32.7
337.09622	2.5
337.13596	16.0
343.09467	1.8
352.08499	37.6
352.15869	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0812
Annotation	Isofiliformine
Peak:m/z	Relative Intensity
50.79086	0.2
52.29864	0.2
52.52527	0.2
64.28757	0.3
73.85385	0.2
112.21758	0.2
219.24466	0.3
244.69501	0.2
250.04980	0.3
264.06445	0.5
265.07324	1.7
266.04446	0.3
278.08218	0.3
280.05942	1.8
281.06906	0.3
291.05353	0.3
291.09317	0.3
294.07568	1.0
307.08417	0.3
307.12134	0.3
308.05582	0.9
308.09131	9.6
308.12744	3.5
309.06195	3.8
320.09134	1.7
320.12607	0.6
322.07031	2.5
322.10699	2.6
324.08636	2.1
336.08591	11.5
336.12292	5.1
337.05670	3.6
337.09393	10.6
337.13065	2.5
352.08084	100.0
352.11841	27.1
352.15393	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0814
Annotation	Duguevalline
Peak:m/z	Relative Intensity
52.59391	0.8
58.05748	0.7
59.84113	0.9
103.11446	0.9
117.13855	1.0
145.69257	0.9
178.06560	1.3
206.06047	1.8
224.06987	1.8
234.05536	3.7
236.07091	4.1
238.04968	6.3
240.06595	4.7
262.05066	4.7
262.74521	0.9
264.06528	100.0
290.04477	12.1
291.05261	1.8
292.06033	57.9
293.06863	5.6
294.07611	1.1
294.10651	1.1
308.12759	17.6
319.04785	9.1
320.05527	41.6
320.12808	5.3
322.07156	2.6
322.10553	11.8
324.08658	7.8
336.12299	25.0
337.05927	1.3
337.09430	2.7
337.13046	21.5
352.03607	1.0
352.08200	54.9
352.15457	58.0
352.21854	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0814
Annotation	Filiformine
Peak:m/z	Relative Intensity
61.10139	0.5
67.51669	0.5
69.07051	0.5
74.34328	0.5
88.29242	0.5
91.69166	0.6
92.20908	0.6
137.06001	0.5
140.03285	0.5
149.26447	0.5
149.73416	0.5
248.07089	1.2
260.07001	9.1
263.05783	2.6
277.07257	1.3
278.08130	11.1
291.05286	10.4
291.12405	2.2
292.06277	0.7
292.09668	0.9
293.10153	0.8
294.11057	1.0
303.05197	2.9
305.06705	3.4
306.07602	24.0
307.08267	0.7
308.09064	3.1
308.12726	33.4
309.06290	2.6
320.09106	2.4
320.12775	7.2
321.09808	1.2
322.07056	2.5
322.10681	18.2
323.11563	0.6
334.07071	52.2
336.08731	3.2
336.12256	46.0
337.09473	3.4
337.13055	34.2
352.08246	62.0
352.15359	100.0
354.98471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00797	0.3
60.47408	0.3
64.49310	0.3
77.30587	0.3
81.87077	0.3
89.67200	0.3
174.11499	0.3
183.48865	0.4
278.08075	2.7
292.09647	1.6
306.07675	3.9
307.08340	0.5
308.09259	1.6
320.09094	4.5
321.09918	1.8
322.10794	1.9
324.12241	3.9
334.10855	0.7
336.08621	2.9
337.09344	2.0
352.11771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1178
Annotation	Berlambine
Peak:m/z	Relative Intensity
50.50938	0.1
52.03134	0.1
53.93795	0.1
57.23090	0.1
62.51853	0.1
66.69924	0.1
71.11220	0.1
71.53989	0.1
72.97136	0.1
104.24760	0.1
121.06523	0.1
159.35062	0.1
182.00700	0.1
193.36496	0.1
232.16924	0.1
257.23151	0.1
276.06485	0.2
278.08105	0.9
290.08081	0.2
291.08795	1.6
292.09576	0.6
294.07578	1.2
304.06064	0.2
306.07581	0.4
307.08377	1.1
308.09155	26.6
318.07462	0.4
319.08377	1.6
320.09134	5.9
321.09869	0.9
322.07095	9.5
322.10403	0.4
323.07916	0.5
324.12317	0.1
334.07074	0.2
334.10825	0.8
336.08646	30.2
337.09424	34.4
352.11777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1179
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.21214	0.2
51.30507	0.2
57.44002	0.2
72.00528	0.3
81.85726	0.3
92.63073	0.3
106.72910	0.3
129.10107	0.3
159.81482	0.3
217.65892	0.3
224.07068	1.2
225.07822	2.9
237.07733	0.3
238.51367	0.4
241.07211	1.1
246.59790	0.3
253.07164	0.7
254.08017	0.4
256.05994	0.3
257.06662	2.1
264.06543	0.3
265.07321	11.3
268.05957	0.5
278.08102	1.5
280.09491	0.4
281.06799	4.7
286.07181	2.7
292.09735	0.4
294.07520	2.3
305.06827	1.7
306.07590	8.2
306.10843	0.6
308.09134	2.8
309.06332	29.3
309.09814	1.9
319.08344	0.4
320.05634	0.4
320.09216	1.2
321.09845	0.4
322.07086	1.8
322.10504	0.8
324.08679	25.3
324.12140	1.1
334.07083	4.6
334.10803	1.4
334.93634	0.3
336.08633	8.9
337.05737	6.0
337.09415	32.3
352.08087	100.0
352.11868	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.84811	0.4
54.53133	0.4
66.55189	0.4
73.18701	0.4
96.98338	0.5
97.13065	0.6
213.73152	0.5
291.08820	0.9
292.09622	0.7
294.07635	0.7
294.11124	1.0
307.08414	0.6
308.09116	26.0
308.12775	15.3
320.09137	5.6
320.12845	3.8
321.09952	0.8
322.07047	7.2
322.10736	7.5
336.08591	27.8
336.12314	18.8
337.09354	29.8
337.13071	13.9
341.68134	0.5
345.12616	0.6
352.11694	100.0
352.15472	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.118
Annotation	Berlambine
Peak:m/z	Relative Intensity
54.52965	0.6
94.96572	0.8
198.62402	0.8
203.80165	0.8
224.38235	0.8
266.09470	1.0
277.08594	4.7
291.09830	1.0
294.07590	3.9
294.11240	1.1
305.08005	3.7
306.08725	1.3
308.05634	1.9
308.09308	2.2
308.12756	25.9
319.09436	1.0
320.09219	1.2
320.12772	5.6
321.11093	10.4
322.07132	100.0
322.10721	12.2
323.11374	1.0
336.08859	1.8
336.12299	33.3
337.05225	1.7
337.09494	46.6
337.13132	22.8
352.08109	5.0
352.11960	65.4
352.15442	52.1
352.24582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Oxoglaucine
Peak:m/z	Relative Intensity
50.84855	0.2
58.43659	0.2
72.39008	0.2
73.75484	0.2
99.94064	0.3
118.13770	0.3
119.64638	0.2
133.98570	0.2
243.27394	0.3
255.51404	0.2
278.08105	1.3
290.07990	0.5
292.09686	0.5
306.07678	3.4
306.10953	0.6
307.08597	0.2
308.09183	2.2
309.06281	0.4
320.09180	3.6
322.10657	1.1
324.09076	0.4
324.12323	3.2
334.10583	1.8
336.08655	7.0
337.09378	4.0
350.10135	0.4
352.11777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63720	0.2
66.17611	0.2
68.70485	0.3
74.64832	0.2
77.31869	0.2
121.06515	1.6
152.07610	0.3
163.45067	0.3
174.38684	0.2
182.00546	0.2
263.09390	1.4
279.08743	0.4
291.08914	6.6
291.12112	0.6
293.10498	0.3
294.07587	1.6
294.11237	0.9
304.09418	0.4
306.07605	0.4
307.08493	1.8
307.11603	0.4
308.09149	23.9
308.12796	11.2
318.07870	0.3
318.11224	2.3
319.08487	15.5
319.12027	3.3
320.09119	6.1
320.12775	3.2
321.10077	0.9
322.07053	16.1
322.10760	12.5
323.11292	0.5
335.11249	0.4
336.08603	28.9
336.12323	17.4
337.09384	36.1
337.13110	14.3
352.11716	100.0
352.15494	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
50.50150	0.2
53.51633	0.2
56.13244	0.2
86.27618	0.3
118.20550	0.2
119.17848	0.2
122.36111	0.2
154.17700	0.2
222.09584	0.3
247.50708	0.2
276.06644	0.5
290.08047	0.4
291.08887	1.2
294.07651	1.1
306.07611	0.4
307.08313	1.1
308.09174	25.8
319.08380	2.4
320.09116	6.6
321.09717	1.0
322.07083	9.0
322.10483	0.6
323.07788	0.9
323.11163	0.3
334.10526	1.7
335.11139	0.4
336.08649	32.0
336.11948	1.4
337.09430	33.7
344.97577	0.2
349.07736	0.2
352.11771	100.0
352.15082	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Berlambine
Peak:m/z	Relative Intensity
57.51398	1.8
84.00799	2.3
87.53340	2.1
98.04128	2.4
101.25214	2.1
104.23376	2.0
111.61062	2.0
141.84180	2.0
157.92198	2.9
184.93738	2.3
189.61168	2.4
308.09183	33.9
320.09189	5.2
322.07037	10.9
336.08630	32.4
337.09348	31.7
352.11804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21776	0.3
66.89546	0.4
77.50276	0.3
78.10619	0.5
83.10271	0.3
197.74260	0.4
268.72153	0.4
291.08920	4.6
292.09448	0.4
294.07556	1.7
294.11035	0.6
304.09610	0.6
306.07660	0.6
307.08365	1.6
308.09149	23.4
308.12787	8.0
318.11154	1.4
319.08496	10.3
319.11954	1.6
320.09134	6.1
320.12891	1.8
321.09891	0.4
322.07047	17.4
322.10742	9.1
336.08603	27.3
336.12308	11.8
337.09467	35.9
337.13120	8.0
352.11719	100.0
352.15494	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1176
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.83501	0.5
60.03762	0.6
61.36279	0.5
66.01128	0.5
67.52855	0.5
68.08498	0.6
83.52513	0.6
93.32406	0.6
99.26648	0.5
107.67094	0.7
110.31775	0.6
111.95712	0.6
115.47324	0.6
137.97014	0.6
167.59962	0.6
170.59982	0.5
257.06757	0.8
291.08740	0.9
294.07596	1.5
308.09183	26.5
308.79370	0.6
309.09756	0.8
320.09061	9.8
321.09921	3.0
322.07266	8.3
323.11072	3.8
334.11111	0.8
335.10858	4.3
336.08667	34.7
337.05344	0.9
337.09448	37.3
352.11798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1178
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.52915	0.2
51.87117	0.2
56.81118	0.2
62.47910	0.2
68.33453	0.3
73.52282	0.3
80.88179	0.3
84.75507	0.2
92.21390	0.3
101.13757	0.2
111.71909	0.3
121.47328	0.3
174.22130	0.3
278.08188	2.0
290.08157	0.3
292.09622	2.3
306.07593	3.0
306.10898	0.4
308.09192	1.0
320.09207	4.2
321.09921	0.6
322.10745	1.1
324.08716	0.4
324.12289	3.5
334.10635	1.3
336.08524	3.4
336.11951	0.3
337.09406	2.0
350.10043	0.4
352.11795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.78809	0.3
56.80665	0.3
102.73432	0.3
159.85986	0.4
172.71516	0.4
188.48413	0.3
193.71381	0.4
278.08203	0.4
290.07953	0.6
291.08887	0.7
294.07718	1.4
307.08380	1.4
308.09143	29.6
316.05759	0.4
320.09097	6.1
322.07104	9.9
336.08649	34.5
337.09418	35.2
352.11771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
58.16780	0.9
62.37796	0.7
67.81054	0.8
72.23422	0.7
82.34772	0.7
88.66810	0.8
89.88925	0.8
92.20930	0.8
97.60188	0.8
103.05178	1.0
111.86960	0.9
238.43826	0.9
262.11578	1.0
294.07730	2.0
308.09082	7.8
319.08325	5.9
320.09140	1.4
322.07071	82.0
323.10849	1.2
336.08533	1.0
337.05267	1.7
337.09427	80.5
352.11768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.59919	0.7
267.49295	1.0
280.09589	6.8
291.12494	2.0
292.09814	1.4
294.11185	1.6
296.12918	2.2
307.12067	1.7
308.09131	36.4
308.12820	35.5
309.10104	6.9
320.09332	1.1
320.12909	7.9
322.07178	3.2
322.10684	16.5
324.09116	1.0
324.12274	37.1
336.08557	7.7
336.12244	51.3
337.09308	4.7
337.13034	35.0
350.10361	3.7
352.11661	72.7
352.15439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1172
Annotation	Berlambine
Peak:m/z	Relative Intensity
50.81716	0.2
58.99607	0.2
60.81258	0.2
96.73452	0.2
127.27964	0.2
161.06024	0.3
204.10240	1.0
263.09589	0.3
280.09674	0.5
290.09305	0.4
291.08887	5.6
292.09973	0.3
293.10526	0.3
294.07590	1.2
294.11249	2.8
296.12701	1.0
304.09595	4.8
306.07910	0.4
306.11234	1.6
307.08340	2.4
307.11636	0.8
308.09128	21.2
308.12762	10.2
309.10037	0.4
318.11206	11.4
319.08347	5.4
319.12006	14.9
320.09134	6.0
320.12796	14.7
321.09915	1.9
321.13620	4.4
322.07037	11.7
322.10730	40.7
324.12241	2.4
336.08572	25.9
336.12292	35.1
337.09348	28.6
337.13086	35.7
350.13757	1.1
352.11664	85.5
352.15411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
53.86607	0.8
62.40181	0.9
114.41614	1.0
127.09724	1.1
128.29697	1.1
294.07654	1.4
308.09134	30.5
308.12827	27.2
320.09164	5.6
320.12857	5.2
322.07031	14.2
322.10751	12.9
336.08603	36.7
336.12344	38.3
337.05371	1.2
337.06323	1.4
337.09384	35.7
337.13110	24.6
352.08130	15.5
352.11728	100.0
352.15466	71.1
362.59171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37437	0.8
147.01547	0.9
194.61584	0.9
195.51059	1.1
263.09296	0.9
291.08893	3.8
292.09656	1.9
294.07535	1.4
307.08566	1.3
308.09167	28.4
308.12839	15.6
309.09738	1.2
318.11328	5.0
319.08359	9.9
319.12003	3.7
320.09180	10.0
320.12814	8.2
321.09875	2.0
321.13538	1.0
322.07065	20.8
322.10788	20.6
336.08621	29.8
336.12354	28.7
337.09396	45.9
337.13116	20.6
352.11713	100.0
352.15497	65.5
370.53629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1178
Annotation	Berlambine
Peak:m/z	Relative Intensity
55.86077	0.8
65.07257	0.8
68.20122	1.0
91.09561	0.9
109.72592	1.0
144.51846	1.0
172.71556	1.1
173.74934	1.0
212.88832	1.0
291.08868	1.5
291.12509	1.1
294.07727	1.1
308.09171	30.1
308.12793	20.6
320.09164	5.7
320.12872	4.1
322.07053	10.9
322.10773	11.2
336.08597	34.0
336.12341	29.0
337.09381	40.7
337.13089	20.7
352.08167	10.9
352.11728	100.0
352.15479	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21776	0.3
66.89546	0.4
77.50276	0.3
78.10619	0.5
83.10271	0.3
197.74260	0.4
268.72153	0.4
291.08920	4.6
292.09448	0.4
294.07556	1.7
294.11035	0.6
304.09610	0.6
306.07660	0.6
307.08365	1.6
308.09149	23.4
308.12787	8.0
318.11154	1.4
319.08496	10.3
319.11954	1.6
320.09134	6.1
320.12891	1.8
321.09891	0.4
322.07047	17.4
322.10742	9.1
336.08603	27.3
336.12308	11.8
337.09467	35.9
337.13120	8.0
352.11719	100.0
352.15494	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1179
Annotation	Berlambine
Peak:m/z	Relative Intensity
53.01048	0.9
60.29163	0.9
62.48561	0.7
66.55575	0.7
67.52303	0.8
71.59071	0.7
91.79968	0.8
160.36533	1.1
217.06952	0.9
222.06807	0.9
227.10684	0.9
234.57013	1.0
245.60573	0.8
277.08527	7.3
290.80997	1.0
291.05450	4.7
291.09894	1.3
294.07608	5.2
305.08054	7.5
306.08694	6.0
308.05588	18.0
308.09229	3.5
308.12799	26.4
309.11050	1.5
319.08646	2.1
320.09311	1.2
320.12823	6.8
321.11154	13.4
322.07132	100.0
322.10699	14.3
335.11395	1.2
336.05081	4.7
336.08591	2.0
336.12277	33.5
337.05624	10.3
337.09555	47.3
337.13135	21.3
352.08020	25.9
352.11996	66.2
352.15421	60.7
352.20572	1.8
352.24506	4.6
372.51306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70371	0.5
97.23513	0.6
113.09103	0.6
136.06183	2.3
152.03320	0.6
207.71202	0.6
264.09924	0.6
291.08792	1.2
294.07675	1.3
308.09177	23.1
313.99268	0.8
320.09128	10.2
321.09827	6.0
322.07123	9.1
334.10693	1.5
335.69476	0.7
336.08643	29.1
337.09427	29.8
342.90070	0.7
352.11774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
51.48321	0.5
55.42019	0.6
75.87181	0.5
100.61941	0.5
103.88847	0.5
106.27143	0.5
263.09317	1.2
281.78448	0.6
291.08902	5.9
294.11325	0.9
307.08432	0.6
307.11966	0.8
308.09158	22.0
308.12833	13.9
318.11304	1.1
319.08365	12.3
319.11880	1.9
320.09134	7.6
320.12836	3.7
321.10007	0.8
321.13440	0.7
322.07056	20.8
322.10770	12.0
336.08591	28.7
336.12344	20.7
337.09396	39.9
337.13110	15.1
352.11716	100.0
352.15506	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08392	0.1
92.48095	0.1
97.15295	0.1
107.00331	0.1
110.14691	0.1
112.52033	0.1
152.75529	0.1
157.86523	0.1
159.31342	0.1
169.16104	0.1
171.99416	0.1
177.79190	0.1
181.63249	0.1
186.47174	0.1
212.20145	0.1
264.10046	0.2
278.08127	0.2
279.12518	0.1
291.12430	1.8
292.09653	1.2
292.12631	0.1
293.10370	0.9
294.11221	2.5
307.08542	0.2
307.11932	1.4
308.12784	30.5
320.09375	0.7
320.12756	7.2
321.10123	1.0
321.13464	0.2
322.10721	16.2
323.11469	0.5
334.10831	0.2
336.12277	45.4
337.13055	30.2
352.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88247	1.3
53.13448	1.2
60.11614	1.7
68.77937	1.3
69.05772	1.4
74.41811	1.3
88.17846	1.3
92.20993	2.4
96.02847	1.4
149.05966	3.2
155.98410	1.6
157.12337	1.6
208.13097	5.6
259.07544	3.4
277.08514	10.5
289.08731	2.0
291.09930	3.4
292.09714	2.4
294.07816	6.9
305.08020	13.0
306.08502	9.2
308.05560	3.0
308.09134	11.5
308.12808	39.4
308.16272	1.8
309.11050	2.8
319.09366	2.1
320.09290	3.5
320.12820	8.9
321.11172	32.2
322.07169	32.6
322.10764	21.2
323.11517	2.7
324.08667	16.3
324.12125	2.6
334.07074	2.3
334.10791	1.8
336.08557	8.8
336.12244	61.6
337.09827	30.0
337.13116	36.8
352.07901	28.1
352.12164	62.2
352.15387	100.0
352.24625	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23094	1.4
62.21723	1.4
68.61492	1.3
76.99281	1.2
78.35261	1.5
82.08380	1.6
86.04025	1.6
88.99308	1.5
97.87869	1.4
180.70499	1.8
249.09163	6.7
259.07343	2.8
275.66815	1.7
276.07526	1.7
277.08505	10.4
287.06989	2.6
289.08356	1.8
291.05225	19.2
291.10123	6.1
294.03918	2.7
305.07977	14.7
306.03934	6.9
306.08759	7.5
308.05524	61.5
308.09341	2.2
308.12802	21.7
309.11108	2.5
319.04770	6.2
319.09265	5.6
320.13004	2.1
321.11191	36.8
322.03287	7.9
322.07187	26.5
322.10840	9.4
336.05090	15.9
336.12228	27.6
337.05713	32.8
337.10172	24.0
337.13284	12.3
352.08054	100.0
352.12811	87.6
352.16000	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65500	0.2
60.10821	0.1
63.66658	0.1
64.49027	0.2
68.36550	0.2
70.33366	0.2
70.64916	0.2
70.91291	0.2
98.84842	0.2
118.34401	0.2
123.47099	0.2
129.36261	0.2
173.21988	0.2
175.06284	7.6
190.08626	100.0
284.32925	0.2
322.07266	0.4
337.09418	0.9
352.13980	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09555	0.2
61.64132	0.2
86.06076	0.4
87.04460	0.3
92.99626	0.3
109.02882	0.3
146.06001	0.3
147.06712	0.3
147.11374	0.3
164.70891	0.2
175.06274	4.3
190.08621	100.0
268.13663	0.5
308.09439	0.3
316.13809	0.4
322.07022	1.5
337.09399	1.3
352.15176	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91355	0.6
55.23260	0.6
66.82620	0.6
118.43419	0.7
129.99896	0.8
207.36874	0.8
263.95016	0.9
278.09396	0.9
290.09439	0.9
306.11212	1.4
306.48529	0.7
307.08405	1.7
307.11649	1.0
308.09161	4.5
308.12668	1.6
309.11353	1.1
315.70892	0.8
318.11230	1.6
319.11945	2.9
320.09235	2.7
320.12775	27.9
321.09814	3.3
321.13596	7.9
322.07089	2.8
322.10678	27.7
336.08728	4.7
336.12286	63.4
337.09454	4.2
337.13052	52.9
350.13623	1.2
352.11649	12.9
352.15433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82668	0.1
82.00352	0.1
88.80840	0.1
90.36398	0.1
130.87564	0.1
139.23196	0.1
197.99287	0.1
240.94247	0.1
264.10123	0.1
278.08102	0.2
279.12402	0.2
291.09332	0.1
291.12543	1.9
292.09659	1.3
293.10406	1.1
294.11234	2.7
304.09814	0.1
307.08630	0.2
307.12012	1.8
308.12790	33.4
319.11954	0.1
320.09256	0.7
320.12741	9.1
321.09940	1.1
321.13635	0.4
322.10721	18.4
323.11484	0.5
334.10800	0.3
336.12283	49.1
337.13065	31.7
352.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1538
Annotation	Palmatine
Peak:m/z	Relative Intensity
68.71397	0.4
101.14686	0.4
112.96672	0.3
124.11117	0.4
159.66183	0.4
169.95274	0.4
263.05963	0.4
291.12375	1.5
292.09680	1.7
293.10327	0.8
294.11246	2.3
307.11850	0.7
308.12775	34.8
320.09271	0.9
320.12750	8.5
321.09891	0.8
322.10693	16.8
323.11362	0.7
336.12265	51.1
337.13046	32.0
339.28613	0.4
352.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99722	0.8
59.03198	0.7
65.23867	0.8
85.14565	0.8
137.32265	0.8
291.09018	1.1
294.11383	1.1
306.10922	1.3
308.09174	15.1
308.12827	7.7
310.74973	1.1
318.11569	1.7
319.08395	5.0
319.11874	1.2
320.09192	5.3
320.12808	24.4
321.10138	1.8
321.13480	7.1
322.07043	12.2
322.10727	27.2
336.08560	15.8
336.12296	62.4
337.09357	19.6
337.13086	44.6
337.15982	0.9
350.13669	1.6
352.11642	47.9
352.15424	100.0
356.04367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1542
Annotation	Palmatine
Peak:m/z	Relative Intensity
64.54967	0.4
70.92834	0.4
107.08573	0.6
110.23487	0.6
123.65779	0.5
175.47516	0.6
205.02939	0.5
291.12527	0.8
292.09814	0.9
293.10489	0.6
294.11191	2.1
294.94543	0.5
307.12259	2.0
308.09244	1.7
308.12778	34.9
320.09299	1.3
320.12708	8.5
321.09924	1.3
322.07101	3.9
322.10751	17.0
331.33948	0.6
336.08817	2.0
336.12283	48.3
337.09485	3.0
337.13071	34.3
352.11768	7.1
352.15433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1542
Annotation	Dehydroglaucine
Peak:m/z	Relative Intensity
51.85044	0.7
55.23718	0.6
66.22416	0.7
100.23840	0.8
102.61067	0.8
254.93062	0.8
266.05527	0.8
291.12625	1.0
292.09970	1.2
293.10336	1.0
294.07071	1.5
294.11264	2.9
307.11923	1.2
308.09137	8.1
308.12708	36.9
308.16425	1.2
319.08243	3.2
320.09482	2.1
320.12820	7.8
321.05826	6.7
322.06677	74.1
322.10773	21.4
336.08435	5.0
336.12250	50.4
337.09119	61.3
337.13135	35.1
352.11432	89.0
352.15457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37701	0.4
53.83628	0.4
54.39311	0.4
148.88857	0.5
174.74648	0.5
291.12589	2.0
292.09744	0.6
293.10663	0.7
294.11340	2.1
307.12155	0.6
308.12808	33.2
320.09183	0.9
320.12747	8.6
321.09686	0.6
322.07269	1.3
322.10739	19.3
327.46075	0.5
335.70642	0.5
336.12296	52.1
337.13089	34.3
352.15436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.154
Annotation	Palmatine
Peak:m/z	Relative Intensity
54.72160	0.4
67.05524	0.6
76.65801	0.4
87.16324	0.5
95.08629	0.5
143.45712	0.5
165.36819	0.5
291.12579	1.0
292.09799	1.1
293.10364	0.8
294.11234	3.0
300.92267	0.5
307.11929	0.7
308.09283	2.0
308.12759	34.2
320.09256	1.0
320.12717	8.0
321.09894	0.6
322.07034	6.0
322.10760	17.1
323.11465	1.0
336.12283	48.1
337.09372	5.0
337.13034	35.5
352.11728	8.7
352.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.154
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10707	0.5
69.94835	0.5
90.92316	0.6
102.83162	0.6
110.68661	0.5
148.49286	0.5
291.12598	1.1
292.09705	1.0
293.10342	0.7
294.11423	3.0
307.12064	0.8
308.09479	1.4
308.12781	38.4
310.01102	0.6
320.12823	8.8
321.10031	1.1
322.07031	2.9
322.10651	19.2
336.12286	53.1
337.09451	3.9
337.13092	37.4
352.11771	7.3
352.15433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1541
Annotation	Palmatine
Peak:m/z	Relative Intensity
55.38195	0.5
56.90773	0.6
103.36610	0.7
127.62702	0.7
162.62953	0.7
291.12375	1.7
294.11240	1.4
308.09171	14.0
308.12802	36.0
320.09177	2.8
320.12854	8.1
322.07028	4.0
322.10757	17.9
336.08582	15.2
336.12292	49.5
337.09366	13.8
337.13083	31.2
352.08102	14.7
352.11679	36.5
352.15408	100.0
358.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84026	0.5
56.43274	0.5
70.96811	0.5
71.08642	13.9
76.59691	0.6
78.17148	0.5
88.11273	100.0
93.24523	0.6
93.61658	0.6
102.37363	0.6
136.07616	0.8
139.03914	0.7
146.06006	1.0
190.04996	2.5
192.10130	0.8
286.09851	0.6
288.55087	0.6
352.14047	2.3
352.18237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.05510	8.3
55.82787	1.1
56.05412	1.2
57.07068	1.2
67.05502	7.6
69.07063	2.5
71.08631	2.5
78.96935	1.1
79.05489	5.3
81.07059	9.1
83.08612	8.9
86.58373	1.3
93.07030	3.2
95.04967	5.4
95.08587	2.7
97.10199	10.8
105.07079	1.6
107.04971	1.4
107.08588	8.8
119.08574	1.8
122.57864	1.3
125.09628	7.4
140.14352	9.4
149.09573	2.6
154.12248	7.4
161.13316	1.9
163.11194	5.3
168.57266	1.3
177.69627	1.4
230.70374	1.3
231.34674	1.3
274.21515	4.5
275.19910	4.9
292.22617	14.7
293.21097	10.8
294.07541	1.6
306.25095	1.8
308.09125	10.4
308.12891	6.3
310.23917	6.3
319.08768	4.6
320.09268	2.0
322.07114	64.5
322.10605	4.6
334.24216	5.7
336.08414	5.4
336.12418	8.9
337.05334	2.6
337.09409	67.3
337.13089	7.4
352.08142	6.3
352.11758	100.0
352.15524	18.5
352.24854	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72699	0.6
55.05529	0.8
57.03442	0.7
58.51382	0.5
67.05505	3.8
68.64697	0.6
69.07069	3.4
71.08621	0.9
79.05503	3.5
81.03411	2.9
81.07050	3.3
82.03769	0.8
82.07384	1.2
83.04971	0.9
91.05478	0.9
93.07038	1.5
94.07359	1.4
95.04955	3.1
96.05319	0.8
96.08926	0.7
96.10047	0.9
96.46485	0.7
97.28569	0.6
105.07012	1.0
105.16236	0.7
107.08583	1.3
108.08917	0.9
111.08044	0.7
116.50462	0.6
124.73875	0.8
133.10159	1.4
133.61835	0.7
147.11728	0.7
149.95885	0.8
151.11194	1.5
152.11508	0.8
170.19933	0.7
190.91742	0.7
277.21616	1.0
278.08038	0.8
278.22000	6.6
287.97964	0.6
291.12613	0.9
292.09576	1.2
294.08035	0.8
294.11438	2.9
307.12054	0.7
308.09094	4.5
308.12753	32.9
309.06192	0.8
319.08459	2.7
320.09262	1.6
320.12808	8.1
321.09927	0.9
322.07028	38.0
322.10767	17.9
323.11401	0.8
329.21674	2.6
334.10825	4.6
336.08884	2.2
336.12277	50.2
337.05212	1.1
337.06415	1.0
337.09351	36.3
337.13120	37.2
352.11615	41.0
352.15433	100.0
352.25427	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51979	1.4
55.05508	8.3
57.03433	7.2
67.05507	20.3
68.05844	5.8
69.07053	7.3
71.08636	29.4
72.08956	8.8
78.65585	1.7
79.05497	18.7
80.05820	7.0
81.03423	1.9
81.07071	22.4
82.07389	7.0
83.04948	2.6
83.08601	6.6
87.99801	1.6
91.05471	10.9
92.05788	3.6
93.07042	28.8
94.07383	10.2
95.04961	8.5
95.08634	12.9
96.08940	9.1
97.06512	2.4
97.10189	3.0
99.08111	12.7
100.08403	7.1
105.07036	9.3
106.07310	2.2
107.08619	12.9
108.08927	8.0
109.10148	9.3
110.10472	2.5
117.07066	2.4
119.08596	10.7
120.08856	3.5
121.10132	9.9
122.10501	7.1
133.10120	7.0
134.10443	3.3
135.11717	11.9
136.12039	9.2
141.09096	1.9
147.11671	1.9
148.11987	2.2
150.13565	2.2
151.11227	11.8
152.11554	6.6
160.12073	2.0
161.13260	3.5
162.13637	2.7
164.11505	1.6
166.13100	2.0
179.14317	15.5
180.14629	30.6
190.13193	1.9
278.21912	26.7
308.09128	15.8
308.12747	21.0
320.09241	2.7
320.12808	3.3
322.07117	17.8
322.10788	12.5
336.08615	13.9
336.12326	29.0
337.09360	31.4
337.13144	20.7
352.07324	2.2
352.08328	2.8
352.11685	70.7
352.15488	62.2
352.25558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51979	1.4
55.05508	8.3
57.03433	7.2
67.05507	20.3
68.05844	5.8
69.07053	7.3
71.08636	29.4
72.08956	8.8
78.65585	1.7
79.05497	18.7
80.05820	7.0
81.03423	1.9
81.07071	22.4
82.07389	7.0
83.04948	2.6
83.08601	6.6
87.99801	1.6
91.05471	10.9
92.05788	3.6
93.07042	28.8
94.07383	10.2
95.04961	8.5
95.08634	12.9
96.08940	9.1
97.06512	2.4
97.10189	3.0
99.08111	12.7
100.08403	7.1
105.07036	9.3
106.07310	2.2
107.08619	12.9
108.08927	8.0
109.10148	9.3
110.10472	2.5
117.07066	2.4
119.08596	10.7
120.08856	3.5
121.10132	9.9
122.10501	7.1
133.10120	7.0
134.10443	3.3
135.11717	11.9
136.12039	9.2
141.09096	1.9
147.11671	1.9
148.11987	2.2
150.13565	2.2
151.11227	11.8
152.11554	6.6
160.12073	2.0
161.13260	3.5
162.13637	2.7
164.11505	1.6
166.13100	2.0
179.14317	15.5
180.14629	30.6
190.13193	1.9
278.21912	26.7
308.09128	15.8
308.12747	21.0
320.09241	2.7
320.12808	3.3
322.07117	17.8
322.10788	12.5
336.08615	13.9
336.12326	29.0
337.09360	31.4
337.13144	20.7
352.07324	2.2
352.08328	2.8
352.11685	70.7
352.15488	62.2
352.25558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	4.8
58.07421	0.6
81.07053	0.9
85.06551	2.5
86.06852	0.8
95.04970	3.1
96.05283	0.8
109.06509	0.5
114.02990	0.6
117.09643	0.5
133.10101	0.7
137.05949	0.8
138.06267	0.6
139.14294	0.5
160.62296	0.5
180.11050	0.8
180.14638	0.9
249.18495	31.4
250.18825	100.0
271.69186	0.6
294.11359	1.2
303.22519	0.6
308.09183	2.9
308.12805	13.3
320.12808	3.8
322.07071	10.5
322.10709	6.3
324.12302	0.9
334.24698	1.2
336.08887	1.5
336.12292	19.7
337.09369	12.1
337.13120	13.8
352.08154	1.7
352.11673	19.3
352.15430	39.9
352.24829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
56.05043	1.5
57.07078	2.5
67.05508	10.2
69.07076	10.1
70.06583	7.7
72.04510	7.7
73.02909	2.3
77.02975	1.1
79.05480	1.8
79.38664	1.2
81.07067	13.8
83.08624	8.8
85.10220	1.2
91.54671	1.1
93.07047	4.7
95.08615	8.9
97.10154	4.6
98.06052	15.3
100.07633	1.2
107.08591	1.5
109.10167	4.8
109.98387	1.0
116.07083	100.0
116.81632	1.3
121.10140	1.5
123.11681	1.1
130.15152	1.2
135.11682	2.7
139.07324	1.3
145.83765	1.4
149.32668	1.2
159.93327	1.2
177.16338	1.3
237.22101	4.7
273.58270	1.2
280.26450	2.6
281.24768	4.9
308.12772	1.9
322.07065	2.3
336.12292	4.4
337.09399	2.1
337.13068	2.2
352.11807	8.6
352.15533	8.6
352.18930	1.2
352.24539	1.9
352.28433	23.8
352.32578	4.2
356.12427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Melophlin E
Peak:m/z	Relative Intensity
52.92585	1.2
54.37082	1.1
55.05503	1.7
64.09118	1.3
67.05505	9.5
68.57201	1.3
69.07065	2.8
71.71601	1.5
81.07063	11.4
83.08585	2.1
90.05551	52.1
93.07021	1.7
95.08597	13.9
103.35716	1.2
105.07088	1.3
109.10153	6.7
112.44872	1.4
116.33138	1.5
119.08620	1.7
121.10125	2.8
123.11667	1.6
133.10138	2.2
135.11716	2.1
161.13211	1.9
170.14609	1.4
181.39507	1.4
238.12187	1.6
245.22565	3.1
263.23615	5.5
272.97183	1.5
294.11130	1.7
308.05707	1.6
308.09100	4.9
308.12729	33.9
319.08163	2.1
320.09479	1.6
320.12894	9.1
321.09665	1.4
322.07056	22.1
322.10733	19.3
336.08664	4.2
336.12271	51.1
336.16406	2.0
337.09354	20.4
337.13123	36.2
352.08066	4.4
352.11627	36.4
352.15414	100.0
352.28485	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31558	2.2
55.05515	5.8
57.07079	3.9
59.98233	2.3
60.48198	3.7
61.30183	2.5
67.05506	21.0
69.07070	18.2
70.06594	21.5
71.08630	21.2
72.08160	3.7
79.05501	6.0
81.07056	17.4
82.06586	4.2
83.08621	5.7
83.42262	3.0
84.04532	3.1
86.06047	2.6
88.11269	33.7
93.07039	6.5
95.08604	16.5
96.08130	5.7
97.10158	4.8
107.08602	4.9
109.10174	6.9
114.09152	3.3
121.10203	4.7
126.12789	20.2
143.73703	3.0
154.12318	5.4
166.15884	13.0
180.13773	4.7
184.16898	3.7
189.40765	3.0
212.16467	13.1
220.16988	12.3
240.15785	3.2
252.19646	19.5
286.58569	2.9
308.09506	4.7
308.12869	18.2
311.31509	4.9
322.07077	23.7
322.10809	11.5
336.12201	21.9
337.09335	25.4
337.13123	21.3
352.08093	10.3
352.11661	45.7
352.15479	49.0
352.28516	100.0
352.35620	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05516	7.5
57.07091	5.7
67.05515	22.2
69.07069	13.9
71.05000	1.8
71.08624	3.2
79.05486	7.2
81.07063	31.2
83.08627	18.0
85.06508	1.5
87.52435	1.3
88.44310	1.2
93.07059	12.2
95.08611	29.5
97.06521	5.8
97.10159	9.7
99.08088	1.9
105.07010	2.2
107.08588	10.3
109.10155	15.1
111.08072	1.8
111.11670	2.0
116.07098	1.6
119.08590	3.0
121.10142	10.7
123.11678	3.3
131.08577	1.6
133.10097	2.1
135.07944	1.4
135.11696	7.8
137.13239	1.4
147.11755	1.5
148.22456	1.5
149.13287	3.0
167.14319	3.1
196.64717	1.4
219.21124	1.4
249.58476	1.5
294.10986	2.0
307.29767	3.0
308.09155	10.3
308.12787	32.2
317.28644	2.5
319.08249	2.3
320.09341	2.8
320.12781	7.5
322.07062	38.9
322.10764	16.1
334.23633	2.5
335.29483	43.1
336.08582	7.9
336.12253	49.0
336.16455	1.7
337.05319	1.6
337.06079	1.4
337.09354	39.0
337.13123	31.7
352.08087	6.6
352.11670	44.4
352.15433	100.0
352.24637	11.6
352.28723	2.5
352.32120	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26535	1.7
52.12005	1.6
53.11079	1.9
55.05536	1.9
57.07076	3.3
59.45379	1.6
67.05481	1.9
69.07073	3.7
71.98767	1.9
81.07060	4.5
83.08647	2.5
87.42943	1.9
95.05021	2.5
95.08589	3.4
96.08105	2.5
102.97466	1.8
116.07095	4.4
128.10684	4.8
138.09163	9.9
144.31206	2.1
207.81401	2.3
234.27827	2.2
236.13237	2.1
306.31644	13.0
308.09171	10.9
308.12778	19.8
321.26801	2.6
322.07098	22.7
322.10809	9.0
324.32623	11.8
334.31033	47.9
336.08578	6.1
336.12308	25.7
337.09363	22.3
337.13211	16.3
352.11679	36.1
352.15491	39.9
352.32104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35832	2.0
51.76406	1.8
53.88062	1.8
55.01871	9.2
55.05524	29.0
57.03442	2.7
57.07080	28.3
57.14089	2.0
58.06768	1.8
60.44431	2.0
60.84715	1.8
67.05180	3.2
67.05511	59.3
67.05848	4.2
69.07070	45.0
69.46208	1.8
71.08630	19.9
77.73439	2.0
79.05506	15.9
79.05911	2.0
81.07059	83.7
83.04979	12.5
83.08627	58.2
85.06538	2.9
85.10179	13.0
91.05463	3.5
93.07026	22.4
95.08605	93.1
97.06528	10.6
97.10168	29.7
105.07026	2.6
107.08601	27.0
109.10156	42.7
111.08103	9.3
111.11732	4.7
116.07102	3.7
118.84087	1.9
119.08559	3.8
121.10146	24.0
123.11689	17.5
123.35436	1.9
125.09592	4.2
125.13262	2.4
131.08589	2.7
133.10098	3.5
135.11708	24.1
137.13293	9.3
147.11653	3.4
149.13214	18.4
153.12671	3.8
157.12213	2.8
159.11649	2.6
163.14853	9.4
165.63197	2.3
167.14322	13.9
173.13269	2.6
195.17458	3.4
207.58951	2.2
228.67384	2.4
269.60095	2.3
275.27383	3.5
285.36490	2.1
293.28384	8.3
294.36761	2.0
299.27271	2.0
306.27835	3.7
307.29886	3.8
308.09402	3.1
308.12827	14.3
311.29474	9.0
317.28394	4.9
320.12482	2.7
322.07062	14.3
322.10437	7.1
335.29434	90.8
336.04306	2.1
336.08597	7.0
336.12299	24.5
337.09323	12.0
337.13135	18.4
352.08115	6.3
352.11658	34.0
352.15460	46.0
352.24179	4.5
352.28549	6.0
352.32092	100.0
352.36374	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.8
55.05513	10.3
57.07076	5.2
58.06588	1.3
67.05177	2.0
67.05509	33.6
69.07075	28.0
71.08642	2.2
72.08144	1.3
79.05499	8.0
81.07063	48.5
83.04992	2.5
83.08624	23.3
85.10153	1.4
93.07049	12.5
93.21397	1.0
95.08607	50.1
97.06522	5.4
97.10168	10.4
105.07016	2.6
107.08605	13.2
109.10168	25.8
111.08080	2.1
119.08573	2.1
121.10150	10.8
123.11690	11.1
131.08563	5.0
133.10135	5.6
135.11708	8.6
137.13254	1.9
147.11647	2.7
149.13255	2.1
151.14838	1.4
151.46057	1.3
153.12752	5.9
159.11673	1.7
161.13219	1.6
163.14902	1.6
168.63110	1.4
173.13188	1.3
209.18956	1.5
294.07697	2.3
308.09140	5.6
308.12747	33.6
317.28305	5.0
319.08167	1.6
320.09329	1.7
320.12900	5.5
322.07022	35.7
322.10748	17.2
324.12366	2.3
334.23825	5.2
334.27573	1.7
335.29434	60.9
336.08560	6.9
336.12271	44.7
337.05795	2.0
337.09357	29.1
337.13132	31.0
351.78394	1.3
352.08173	3.0
352.11652	36.5
352.15430	100.0
352.24753	6.5
352.28564	3.2
352.32117	50.5
362.07919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38393	2.0
63.39130	2.3
63.46856	2.1
67.34631	2.0
75.73403	2.5
80.09188	2.2
86.09695	14.9
86.52019	2.2
140.24954	2.3
153.20273	2.3
183.06117	2.6
251.68858	2.8
308.09326	3.0
308.12711	10.4
311.28864	2.6
322.07184	29.2
322.10526	4.9
336.12259	13.2
337.09348	29.2
337.12878	7.3
352.11697	34.7
352.15179	25.2
352.35767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0631
Annotation	Arbutin 6-phosphate
Peak:m/z	Relative Intensity
51.58954	3.0
54.57205	2.7
63.07915	2.7
67.21034	2.7
72.71786	3.3
85.98105	3.6
95.15131	3.6
102.28598	3.8
130.51921	3.6
137.38963	3.2
208.97168	3.7
312.55792	3.3
353.05893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	13.2
62.90262	1.9
68.12302	2.2
69.03410	5.1
70.06583	2.6
72.04536	2.7
81.03426	4.6
84.08134	3.6
85.02904	13.4
86.09729	3.5
87.04465	3.4
89.17567	2.0
97.02890	11.3
99.45525	2.4
104.77375	2.0
106.56807	1.9
110.07119	2.9
127.03931	11.4
136.52777	2.1
145.04961	5.1
200.64082	2.1
219.01427	2.2
291.05026	2.4
307.08392	9.9
335.12225	3.1
353.06262	100.0
353.13019	16.8
353.17401	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58954	3.0
54.57205	2.7
63.07915	2.7
67.21034	2.7
72.71786	3.3
85.98105	3.6
95.15131	3.6
102.28598	3.8
130.51921	3.6
137.38963	3.2
208.97168	3.7
312.55792	3.3
353.05893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20126	1.3
81.85452	1.5
98.97565	2.3
100.99165	2.3
110.97534	1.7
126.97146	1.6
131.00186	2.6
136.80211	1.6
146.99687	1.9
149.01262	9.2
155.21671	1.4
158.99606	1.8
163.08467	1.6
170.99672	3.0
172.97563	3.4
189.00769	2.3
190.98643	15.3
203.02321	1.6
208.99712	16.5
214.98622	3.3
232.99670	16.0
250.30736	1.6
251.00696	8.1
263.00787	2.9
293.05347	6.2
306.48471	1.9
311.06564	2.2
335.03015	2.1
353.04047	5.9
353.08414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0841
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
53.34264	1.4
56.96570	3.0
66.53005	1.5
97.02902	2.0
98.97600	9.1
100.99153	7.3
123.11573	1.6
128.98639	2.0
131.00204	2.7
149.01274	3.3
151.00154	1.8
170.99631	1.8
171.03253	1.7
172.97617	8.2
174.07590	2.8
189.00636	2.1
190.98630	20.3
208.05942	3.2
208.99678	22.1
214.98668	3.5
232.99672	16.6
251.00723	6.5
263.00720	7.2
293.01782	3.1
293.05078	2.1
345.41061	2.1
353.04010	6.4
353.08423	100.0
353.15543	3.0
363.52759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45304	0.9
52.12982	0.7
56.15810	0.8
58.06596	1.8
76.61220	0.9
84.77125	0.8
103.62969	0.8
109.29453	1.0
118.44715	1.2
125.81020	1.1
145.10100	0.9
165.15312	0.9
292.06021	29.7
306.07550	8.2
307.08047	1.0
308.12442	2.3
309.13095	15.2
310.06998	6.8
317.06754	2.0
318.07675	4.7
320.05527	14.4
321.06293	1.8
321.12979	4.3
323.07129	2.1
323.11084	9.3
334.07040	5.9
335.07739	1.3
335.99539	1.2
336.08664	11.1
337.12622	23.5
338.06570	100.0
338.12762	15.4
353.08896	79.8
353.15677	49.8
353.24487	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29876	0.8
58.29291	0.8
71.95125	1.0
95.04913	0.8
100.29958	0.8
109.05791	1.0
154.88135	1.0
161.66978	0.9
200.14522	0.9
275.04105	1.0
292.74811	0.9
308.08954	4.5
309.09445	24.6
321.09415	6.0
323.07486	8.9
337.08963	33.8
338.09753	37.7
351.86514	1.0
353.12119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17766	0.4
59.47200	0.4
71.25407	0.4
75.90116	0.5
79.15847	0.5
127.10390	0.5
133.88069	0.5
269.29193	0.5
279.08548	0.8
280.09338	2.7
281.10010	8.0
292.09247	0.5
293.10217	0.7
297.13162	4.8
307.07870	0.7
308.09106	4.6
309.09525	38.8
309.13028	2.9
310.10248	11.3
323.07321	0.6
323.10880	1.2
324.12091	2.7
325.12622	46.7
335.07565	0.7
336.08511	0.6
337.08978	9.4
337.12677	2.5
338.09741	2.2
338.13281	1.1
351.10483	4.0
353.12112	100.0
353.15613	4.7
372.03415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20945	0.4
56.07979	0.6
76.11235	0.5
145.38979	0.6
191.06963	1.1
261.09152	0.9
263.74222	0.7
289.08392	1.0
292.09473	0.9
292.12650	0.8
295.07867	0.9
295.11252	0.7
308.08984	2.9
308.12494	2.0
309.09473	28.6
309.13095	14.0
321.09573	6.6
321.13138	3.6
322.07129	0.8
322.10687	2.5
323.07413	9.2
323.11035	9.4
336.08469	1.3
336.12354	1.4
337.08948	36.0
337.12668	27.7
338.09717	38.6
338.13446	20.0
353.12051	100.0
353.15817	46.4
357.81616	0.6
361.04715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20945	0.4
56.07979	0.6
76.11235	0.5
145.38979	0.6
191.06963	1.1
261.09152	0.9
263.74222	0.7
289.08392	1.0
292.09473	0.9
292.12650	0.8
295.07867	0.9
295.11252	0.7
308.08984	2.9
308.12494	2.0
309.09473	28.6
309.13095	14.0
321.09573	6.6
321.13138	3.6
322.07129	0.8
322.10687	2.5
323.07413	9.2
323.11035	9.4
336.08469	1.3
336.12354	1.4
337.08948	36.0
337.12668	27.7
338.09717	38.6
338.13446	20.0
353.12051	100.0
353.15817	46.4
357.81616	0.6
361.04715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29876	0.8
58.29291	0.8
71.95125	1.0
95.04913	0.8
100.29958	0.8
109.05791	1.0
154.88135	1.0
161.66978	0.9
200.14522	0.9
275.04105	1.0
292.74811	0.9
308.08954	4.5
309.09445	24.6
321.09415	6.0
323.07486	8.9
337.08963	33.8
338.09753	37.7
351.86514	1.0
353.12119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37900	1.5
69.40076	1.7
79.05506	3.2
79.79302	1.7
103.05493	3.3
105.07049	2.6
106.67960	2.2
107.04960	16.7
125.05999	2.1
131.04932	20.8
148.05280	2.2
152.12877	2.2
161.05980	2.4
161.26712	2.4
167.07056	35.4
171.08032	9.8
176.04611	9.9
178.94240	2.3
179.07008	7.8
190.07814	2.2
191.07018	65.0
191.08699	3.2
199.07538	10.9
203.08464	3.3
205.10208	2.4
215.08632	8.0
218.07207	4.2
219.07988	3.7
231.08105	3.5
232.08777	4.4
233.09590	37.7
235.07440	3.2
243.07899	4.2
246.06824	4.4
247.07576	3.9
249.09216	2.7
250.09792	4.1
257.05942	11.8
259.07410	3.3
260.08261	13.9
261.09109	54.7
262.10013	4.8
263.06964	3.3
265.12350	3.4
274.06250	12.7
275.07111	4.4
275.10544	2.9
277.08609	8.3
278.09323	22.4
289.05441	4.0
289.08566	81.5
290.09409	27.5
291.06641	2.6
291.10086	7.8
293.11844	15.5
303.10031	2.7
306.08740	27.2
307.09506	8.5
308.12778	3.4
309.13202	33.7
321.07858	2.2
321.11084	83.1
322.11740	9.3
323.10931	11.3
325.14273	14.5
337.12680	51.4
338.13678	31.6
353.07239	11.6
353.14035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68851	1.3
55.18866	1.2
60.65284	1.3
62.43884	1.3
67.82121	1.4
81.89246	1.4
90.57536	1.5
91.31435	1.5
91.93849	1.4
92.58544	1.3
103.05485	2.3
131.04907	9.3
167.07027	6.0
171.13785	1.4
176.04663	2.7
191.07019	28.7
199.07568	2.6
215.08604	2.4
218.07237	2.7
233.09560	18.5
235.07570	1.7
243.08084	2.3
246.06773	5.7
247.07671	1.8
257.05963	3.2
260.08368	5.9
261.09055	17.1
262.09763	1.6
274.06277	3.1
275.06946	2.2
275.10565	2.0
277.08481	1.8
278.09256	11.2
288.07663	2.3
289.08594	31.4
290.09424	11.5
291.06555	1.9
291.09967	1.9
293.11542	7.1
306.08792	12.9
307.09375	2.9
308.12656	2.7
309.13123	41.0
321.10904	39.6
322.11450	11.6
323.07718	5.2
323.11053	18.0
336.11902	2.6
337.08698	2.9
337.12665	58.6
338.13702	39.2
353.15576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34140	1.6
50.88841	1.3
53.71684	1.6
60.85407	1.8
74.32461	1.7
82.72451	1.8
103.05493	3.0
107.04968	9.1
115.93214	1.8
125.01353	2.0
131.04909	9.5
157.96468	1.8
167.07048	17.3
171.07965	2.4
176.04836	2.1
191.07030	41.1
199.07509	4.2
215.08510	3.3
218.07262	4.5
229.06483	3.5
233.09514	22.3
234.10458	2.6
243.08006	3.1
250.09911	3.3
257.06042	2.4
260.08325	6.9
261.09097	30.0
262.10104	2.2
265.12289	2.2
274.06192	3.9
277.08621	2.6
278.09363	11.8
288.08154	1.8
289.08594	42.1
290.09390	18.3
291.10168	2.1
293.11774	9.1
299.19882	1.9
303.10147	2.6
306.08792	16.5
307.08902	8.8
308.12527	8.0
309.09680	3.3
309.13101	34.9
310.06937	4.7
321.11017	47.1
323.10953	12.5
336.12335	4.1
337.12704	52.5
338.13559	36.6
353.07761	18.6
353.15536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46482	2.4
55.44953	2.5
60.96716	2.6
96.61047	3.1
101.67303	3.0
105.06998	4.0
107.04943	17.6
116.34567	3.3
119.95725	3.0
124.05234	4.6
131.04941	20.4
138.47771	3.4
143.89206	3.4
148.05223	3.5
161.06029	4.2
167.07036	27.4
175.07553	3.9
191.07011	60.9
199.07466	6.5
203.08546	5.0
215.08498	14.1
218.07115	12.0
229.06517	5.2
232.08853	6.4
233.09595	37.1
243.08038	5.2
246.06888	4.2
247.07457	4.0
250.09837	4.8
257.05994	5.9
258.06625	3.4
259.07581	3.6
260.08429	13.6
261.09082	46.1
262.10150	3.7
263.07010	6.5
271.07571	4.0
274.06274	12.2
275.06873	4.1
275.10486	4.4
278.09351	23.7
289.08542	75.9
290.09265	28.3
291.06720	4.2
293.11935	22.1
306.08862	28.3
307.09702	12.3
308.12503	3.5
309.13040	26.8
321.11069	100.0
323.11081	6.2
329.69037	3.6
337.12726	49.6
338.13519	33.5
342.36462	3.5
353.14056	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	3.4
73.83525	3.1
80.71708	3.8
95.08598	3.3
102.35603	4.0
107.04929	4.5
131.04964	12.5
150.01257	3.0
159.08073	3.6
167.07018	24.5
190.10979	3.3
191.07034	55.6
199.07578	6.0
215.08543	5.5
218.07036	3.6
233.09596	31.5
247.07652	3.7
249.09167	3.9
261.09131	39.4
262.09766	4.5
274.06387	11.5
277.08646	6.2
277.29840	3.2
278.09381	19.7
279.10159	5.9
289.08566	69.6
290.09308	20.1
291.10172	3.4
293.07971	3.4
293.11636	13.6
306.08777	23.9
307.09518	6.1
309.13052	37.3
321.11127	75.0
322.11682	22.0
323.07556	3.8
323.11234	23.6
325.14398	29.1
336.12292	4.5
337.12653	64.8
338.06253	5.6
338.09714	6.0
338.13599	48.5
353.13959	92.0
353.15503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78522	1.3
52.44421	1.2
66.72288	1.2
68.33203	1.4
85.79745	1.4
92.20950	2.2
107.04974	2.3
131.04962	3.2
167.07054	11.9
167.84407	1.6
171.08044	9.1
176.04584	3.0
179.07123	2.1
191.06992	21.3
199.07484	3.0
232.08842	1.6
233.09579	10.5
260.08224	2.0
261.09122	15.0
270.13528	1.4
274.06238	2.1
278.09354	9.6
289.08521	22.9
290.09488	6.5
293.11655	7.3
306.08719	9.0
307.08997	2.0
308.12726	3.7
309.13092	28.3
321.10965	30.3
322.11661	3.0
323.11337	18.2
325.14264	7.8
336.12430	2.6
337.08807	2.4
337.12668	51.9
338.13480	38.2
353.08017	4.8
353.15515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.05513	0.6
57.03430	2.1
60.08165	0.5
61.02911	0.6
69.03430	3.5
71.04984	1.2
73.02914	0.5
76.30851	0.5
81.03413	8.3
83.04999	7.7
85.02905	9.4
86.03241	0.5
86.99084	0.6
93.05511	3.6
97.02881	6.9
99.04456	100.0
102.94286	0.5
105.00097	2.5
109.02871	3.3
111.04439	2.6
111.69879	0.5
117.05481	8.8
127.03918	3.5
134.14381	0.5
134.76926	0.6
143.54849	0.5
145.04987	2.4
146.06006	3.2
147.06351	4.8
164.06975	0.6
189.07393	0.9
243.08659	0.9
261.09619	3.1
294.13336	3.3
335.13199	1.3
338.09167	0.6
353.14352	9.5
353.18509	0.7
353.20078	0.5
378.54916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.9
57.07091	8.5
67.05507	67.5
69.07072	9.1
71.08651	11.5
79.05485	29.3
81.07063	85.0
83.08627	8.1
88.07330	5.7
91.05484	12.5
93.07059	41.6
94.14622	5.9
95.08607	66.7
100.46282	5.8
105.07033	9.3
107.08598	38.3
109.10197	44.6
117.07001	5.8
119.08594	10.9
121.10162	48.5
123.11687	30.9
131.08588	14.2
133.10162	14.4
135.11716	34.3
145.10132	10.2
147.11697	13.6
149.13239	27.9
159.11641	6.7
161.13333	6.8
163.14832	9.5
167.00029	8.6
169.01631	8.5
174.99016	25.1
179.03746	7.8
189.00569	31.8
196.30237	6.0
203.02307	5.8
209.81122	6.4
243.21123	14.6
245.13037	7.0
261.22076	76.1
269.27936	6.3
309.13217	25.0
323.07364	31.1
323.10931	8.9
335.15103	66.0
335.25388	8.2
337.12656	33.7
338.09698	24.5
338.13440	30.0
353.11951	46.4
353.15887	100.0
353.27042	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.9
57.07091	8.5
67.05507	67.5
69.07072	9.1
71.08651	11.5
79.05485	29.3
81.07063	85.0
83.08627	8.1
88.07330	5.7
91.05484	12.5
93.07059	41.6
94.14622	5.9
95.08607	66.7
100.46282	5.8
105.07033	9.3
107.08598	38.3
109.10197	44.6
117.07001	5.8
119.08594	10.9
121.10162	48.5
123.11687	30.9
131.08588	14.2
133.10162	14.4
135.11716	34.3
145.10132	10.2
147.11697	13.6
149.13239	27.9
159.11641	6.7
161.13333	6.8
163.14832	9.5
167.00029	8.6
169.01631	8.5
174.99016	25.1
179.03746	7.8
189.00569	31.8
196.30237	6.0
203.02307	5.8
209.81122	6.4
243.21123	14.6
245.13037	7.0
261.22076	76.1
269.27936	6.3
309.13217	25.0
323.07364	31.1
323.10931	8.9
335.15103	66.0
335.25388	8.2
337.12656	33.7
338.09698	24.5
338.13440	30.0
353.11951	46.4
353.15887	100.0
353.27042	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1744
Annotation	candidone
Peak:m/z	Relative Intensity
51.00039	0.5
55.05515	4.3
57.07061	0.7
64.07271	0.5
65.79301	0.5
67.05499	3.8
67.40256	0.6
69.06698	1.4
69.07070	37.1
74.26395	0.6
79.05489	1.3
81.07066	3.7
83.08612	1.1
86.49339	0.6
89.62504	0.6
93.07054	1.5
95.08592	3.4
97.10168	0.9
105.07054	0.7
107.08589	1.0
109.10165	3.4
113.23395	0.6
119.08597	0.8
121.10162	2.3
131.08525	0.7
135.11668	0.8
172.67960	0.7
187.07559	0.8
195.07962	0.7
197.09685	1.4
198.06798	3.1
211.07620	4.8
212.08330	7.1
224.08321	0.8
225.09137	8.8
231.06537	6.5
237.09140	1.5
238.09904	1.5
239.10614	20.7
239.12846	0.9
240.60141	0.7
243.06619	4.6
245.08194	1.2
251.10806	1.4
252.11646	0.7
256.07230	8.0
257.08145	2.7
261.22028	1.5
265.12222	3.3
269.08087	15.6
270.08783	5.9
271.09604	7.5
282.08987	1.1
283.09619	11.2
284.10403	16.6
285.11377	4.8
295.09537	0.9
296.10550	2.4
296.89505	0.8
297.11264	4.3
307.16815	1.0
310.12033	2.6
311.12775	1.0
317.24863	0.7
323.07440	1.1
335.25793	2.9
337.12570	1.4
338.09656	1.0
353.17496	100.0
353.26871	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1745
Annotation	Ovalichalcone
Peak:m/z	Relative Intensity
55.05515	3.4
57.07067	1.2
64.32590	0.5
67.05507	3.4
69.06696	1.4
69.07068	37.6
69.07442	1.3
70.82558	0.6
71.08673	0.6
75.43749	0.6
79.05508	0.8
81.07050	3.4
83.08608	1.1
83.64716	0.6
91.05495	0.8
93.07023	1.6
95.08617	3.9
97.10167	1.1
97.45598	0.6
107.08609	1.2
109.10162	3.3
121.10168	1.3
131.08627	0.6
135.11710	1.1
197.09654	1.3
198.06728	1.3
209.09746	0.8
211.07535	4.1
212.08322	8.9
224.08200	1.2
225.09062	8.8
225.95004	0.6
231.06575	3.9
231.85777	0.6
237.09300	1.2
238.09903	1.2
239.10638	18.1
243.06563	4.8
245.08037	1.0
256.07300	7.4
265.12180	2.8
269.08057	16.0
270.08820	6.6
271.09622	8.3
283.09613	11.7
284.10385	14.9
285.11212	4.4
295.09604	2.5
296.10602	1.2
297.11417	4.7
307.16882	0.9
310.11954	3.1
311.12830	1.1
323.07434	3.8
335.25903	1.1
337.12784	0.8
338.09760	4.1
338.13788	0.7
353.12283	6.0
353.17462	100.0
353.26694	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1746
Annotation	CHEMBL1821988
Peak:m/z	Relative Intensity
58.43494	0.4
60.60126	0.5
67.05513	1.3
69.07065	2.9
71.08631	1.2
71.09741	0.5
75.80894	0.5
81.07063	3.0
92.20947	0.6
93.07042	1.0
95.08614	1.2
99.08104	0.6
107.08606	0.8
109.10189	0.7
121.10115	0.6
135.11639	0.6
147.71506	0.5
149.13187	0.6
193.43700	0.5
195.60287	0.5
209.09671	0.6
223.07549	2.1
223.11180	0.9
225.09064	1.3
235.07477	5.5
236.08302	0.7
237.09129	1.2
238.09843	2.1
239.10629	1.2
240.11346	0.8
249.09088	4.1
251.06798	0.6
251.10674	3.2
253.12221	0.6
263.10626	1.2
264.11386	4.8
265.12161	3.3
265.43903	0.6
266.09381	3.8
267.10211	2.2
277.12256	0.9
278.12769	0.6
279.10172	18.5
279.13318	1.2
279.23331	0.9
283.09714	0.8
284.10434	1.3
285.11215	1.0
292.14536	1.3
297.11279	1.3
306.12561	0.7
307.16922	6.2
309.18481	5.6
314.73785	0.6
335.16422	37.7
338.15097	1.2
353.17462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1746
Annotation	Ovalichalcone
Peak:m/z	Relative Intensity
55.01880	8.2
55.05527	8.3
57.03438	3.9
57.07077	2.2
67.05512	9.6
67.14646	0.8
69.07072	46.5
70.76882	0.9
70.90835	1.0
71.08630	1.0
75.77412	0.9
79.05519	3.8
81.07058	10.4
81.59047	0.8
83.04980	1.6
83.08607	7.6
91.05477	1.8
92.21577	1.4
93.07047	7.0
95.08611	9.0
97.06551	4.0
97.10191	4.8
107.08608	5.3
109.10181	5.8
110.28826	0.9
121.10164	5.1
135.11729	4.2
145.10146	1.3
153.12801	6.9
159.11684	1.1
187.07614	6.1
197.09657	1.2
210.06845	4.1
211.07637	4.8
212.08382	4.0
213.05540	1.1
221.09654	1.2
223.07597	5.8
224.08418	1.7
225.05635	1.6
225.09158	9.4
227.07062	1.1
237.09161	6.3
238.06334	3.5
238.09877	22.6
238.12166	1.1
239.10667	2.4
243.06577	2.2
245.08232	1.4
249.08997	1.2
251.07178	1.2
251.10730	3.9
253.08508	1.3
257.08105	1.4
261.22134	3.8
264.11685	1.4
265.08734	4.4
265.12109	2.0
266.09430	1.8
267.10287	2.4
269.08191	5.2
270.08960	1.8
271.09763	4.9
279.10202	1.5
279.23190	8.0
283.09671	4.0
284.10562	6.1
285.11331	4.4
297.11288	1.4
307.17078	1.7
309.13290	1.9
323.07568	2.0
335.16504	4.2
337.12790	5.1
338.09912	2.0
338.13565	2.0
353.12399	3.5
353.17542	100.0
353.26849	25.4
353.30734	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1747
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
52.92839	0.9
55.05524	2.8
57.03438	1.2
67.05501	5.4
67.52180	0.9
69.07076	33.7
71.08621	6.7
72.19415	1.1
79.05485	2.3
81.07052	6.2
83.08626	4.4
85.06525	1.2
93.07040	4.9
93.37207	1.2
95.08606	7.0
97.10155	2.0
99.08099	2.2
107.08624	3.8
109.10149	5.0
111.03259	1.2
111.80649	1.1
116.95929	1.1
119.77441	1.3
121.10111	2.9
133.10118	2.2
135.11731	1.7
149.13303	2.0
165.12758	20.2
187.07625	5.1
197.09808	1.5
209.09630	1.3
210.06749	6.3
211.07643	2.3
212.08356	2.9
223.07495	4.4
224.08287	2.4
225.05417	1.5
225.09125	10.1
231.06595	2.1
237.09076	5.2
238.06288	3.7
238.09888	21.4
239.07011	1.4
239.10687	2.6
250.09827	1.6
251.10667	2.2
261.22256	1.7
264.11377	2.3
265.08597	1.9
265.12161	2.2
266.09229	1.8
267.10336	4.0
269.08054	2.9
270.08832	1.6
271.09750	2.1
283.09579	7.2
284.10361	4.4
285.11182	4.4
307.16922	6.5
317.25000	1.9
323.07672	9.7
323.10931	2.7
335.16318	4.8
335.25766	8.8
337.12683	2.5
338.09833	12.5
338.13467	1.9
353.12323	12.9
353.17435	100.0
353.26794	10.4
353.30792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
55.88830	1.1
56.19494	1.0
60.51693	1.0
62.07082	0.9
67.05477	1.7
76.89790	1.0
79.05482	1.9
81.07040	2.6
83.08595	2.2
93.07022	2.4
93.45666	1.0
95.08570	2.1
107.08529	4.8
109.10094	4.6
110.97536	1.3
119.08505	1.5
121.32076	1.4
135.11613	1.2
136.72194	1.1
137.09566	1.2
154.12170	2.4
172.13187	1.8
193.31117	1.1
239.17316	4.8
267.16864	2.6
280.67288	1.2
292.05386	2.0
295.04272	1.9
309.05844	13.6
309.09299	1.8
309.13007	13.4
317.21945	2.5
320.04837	4.0
321.12845	1.4
323.03659	1.7
323.10678	1.9
335.23264	32.2
336.12094	1.6
337.05078	5.7
337.12634	18.6
338.06293	12.2
338.09665	3.9
338.13242	11.7
353.08505	28.8
353.16086	28.2
353.22977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
55.88830	1.1
56.19494	1.0
60.51693	1.0
62.07082	0.9
67.05477	1.7
76.89790	1.0
79.05482	1.9
81.07040	2.6
83.08595	2.2
93.07022	2.4
93.45666	1.0
95.08570	2.1
107.08529	4.8
109.10094	4.6
110.97536	1.3
119.08505	1.5
121.32076	1.4
135.11613	1.2
136.72194	1.1
137.09566	1.2
154.12170	2.4
172.13187	1.8
193.31117	1.1
239.17316	4.8
267.16864	2.6
280.67288	1.2
292.05386	2.0
295.04272	1.9
309.05844	13.6
309.09299	1.8
309.13007	13.4
317.21945	2.5
320.04837	4.0
321.12845	1.4
323.03659	1.7
323.10678	1.9
335.23264	32.2
336.12094	1.6
337.05078	5.7
337.12634	18.6
338.06293	12.2
338.09665	3.9
338.13242	11.7
353.08505	28.8
353.16086	28.2
353.22977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31135	1.8
65.04832	1.4
67.05498	7.8
68.27975	1.6
75.84359	1.4
79.05483	8.7
81.07048	4.1
83.08597	2.2
93.07067	7.3
95.08610	7.7
106.25274	1.6
107.08581	6.8
109.10145	2.8
121.10165	3.8
124.39579	2.1
131.61870	1.7
138.07214	1.8
149.13193	2.8
161.13135	1.9
191.06960	2.9
227.43452	2.2
233.09578	2.1
261.21899	8.3
289.08701	2.6
295.11517	2.3
306.07974	9.3
308.12488	2.9
309.09686	3.8
309.13077	31.8
321.13412	4.0
322.10651	7.3
323.11060	21.5
333.06046	1.8
336.11938	2.2
337.08884	3.3
337.12646	50.3
338.09946	6.2
338.13336	36.9
353.07678	14.8
353.15994	100.0
353.22620	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82411	0.5
53.16831	0.5
66.68039	0.6
67.05500	1.1
69.86579	0.7
81.07070	1.5
95.08619	0.8
109.06507	0.8
131.04877	0.8
136.20746	0.8
165.12517	0.7
167.07045	1.2
169.52551	0.8
191.06984	2.7
233.09622	1.1
261.09027	1.4
261.22064	1.4
278.09027	0.9
289.08545	3.3
309.06110	0.7
309.09641	1.4
309.13107	7.0
321.10986	5.5
322.11072	1.1
323.11078	3.5
337.12680	12.2
338.06372	0.9
338.09991	1.1
338.13528	8.2
353.08142	7.9
353.15686	18.7
353.22937	100.0
354.92194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20618	0.7
55.01873	0.8
55.05515	12.5
57.03436	7.2
57.07074	7.6
67.05506	38.1
69.03432	0.8
69.06704	1.4
69.07068	33.2
71.04962	1.5
71.08622	5.1
74.74196	0.7
79.05500	20.1
79.48924	0.8
81.07061	59.1
83.04963	4.3
83.08624	20.8
85.06534	4.1
85.10174	1.5
86.14056	0.9
91.05480	9.5
93.07044	36.9
95.04976	1.5
95.08609	51.0
97.06528	3.9
97.10147	5.8
99.08073	2.0
104.72704	0.9
105.07052	8.7
107.08589	37.2
109.06512	7.2
109.10164	31.7
111.03701	1.5
111.04438	38.4
111.08080	8.6
111.11699	1.8
113.05984	1.3
113.09633	1.1
117.07001	4.8
119.08585	11.1
121.09309	1.4
121.10142	37.5
123.08073	14.3
123.11692	22.6
125.05990	33.5
125.09623	4.3
125.13258	1.0
127.07542	5.7
131.08557	11.6
133.10139	12.6
134.10481	1.0
135.08044	9.1
135.10663	1.5
135.11685	32.3
137.05981	1.0
137.09579	3.5
137.13235	9.2
139.07558	7.5
139.11194	2.0
144.57669	0.9
145.10115	16.5
147.11653	8.5
149.09622	10.8
149.13261	23.5
151.11157	4.7
153.09102	3.4
153.12752	2.2
153.89552	1.0
159.11694	18.7
161.13249	6.4
163.11179	17.8
163.14799	15.1
165.12723	5.5
167.10680	7.5
173.13249	12.7
175.14803	4.5
177.12750	20.4
177.16367	7.0
181.12170	11.6
187.14804	6.0
191.14268	7.3
195.13866	8.5
205.15993	1.1
205.19545	12.1
209.15384	3.8
215.17943	11.0
223.20354	1.1
233.18979	28.2
233.22559	1.8
243.21075	10.5
251.20039	37.5
261.22119	35.4
276.67911	1.3
279.19537	90.1
286.15469	1.1
297.20575	32.3
309.13007	1.4
323.07590	10.3
323.10953	2.5
335.25644	5.3
337.08960	1.7
337.12634	5.0
338.09686	8.5
338.13376	3.7
353.12158	14.2
353.15829	6.6
353.23108	100.0
353.26880	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91193	4.1
55.05520	12.1
57.03444	11.6
57.07078	11.7
57.48842	4.0
67.05512	71.9
67.99507	4.9
69.07079	48.4
71.08651	11.2
79.05498	21.6
81.07066	78.2
83.08632	20.5
85.10191	7.1
88.71123	5.2
91.05466	8.3
93.07036	56.7
95.08613	82.5
97.10164	7.4
103.03965	8.1
105.07019	9.6
107.08621	45.1
109.10175	36.7
110.76610	6.0
111.04469	40.1
111.08106	8.9
119.08563	11.0
119.31937	5.1
121.10162	51.6
123.08102	9.6
123.11671	12.2
123.27419	5.3
125.06004	32.7
131.08565	7.7
133.10156	22.4
135.11702	31.9
137.09637	5.9
145.10153	21.9
147.11726	5.1
149.09558	9.0
149.13226	30.3
159.11726	12.3
161.13295	8.4
163.11119	17.7
163.14830	9.9
177.12764	9.6
181.12151	9.3
190.04970	10.2
191.05377	12.7
191.14375	5.8
195.13766	6.6
199.82637	5.3
205.19537	9.4
209.15182	6.8
233.19031	12.6
243.21011	11.7
251.20093	36.4
261.22134	35.5
279.19592	100.0
279.22672	11.6
297.20578	31.5
309.13025	20.9
321.12955	8.4
323.07559	41.0
337.12640	33.0
338.09897	49.8
338.13345	8.9
353.08429	10.6
353.12247	57.1
353.15955	63.7
353.23160	92.6
353.26999	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.78817	2.2
54.58048	2.2
54.77142	2.0
55.05515	17.7
57.03429	2.7
57.07080	10.1
60.21432	2.4
63.42032	2.3
67.05511	84.4
67.39573	2.3
69.07066	21.6
71.08641	3.1
74.05254	2.2
79.05494	48.0
81.07063	100.0
83.02439	2.5
83.08627	25.8
85.06539	3.8
91.05472	28.2
93.06483	3.8
93.07044	76.9
95.04960	6.1
95.08610	90.0
97.06538	5.5
97.10196	4.7
99.08113	4.1
105.07048	18.6
107.08596	57.3
108.65212	3.2
109.06499	2.8
109.10159	41.6
111.08099	5.3
111.11713	2.6
117.07019	6.2
117.96310	2.6
119.08572	19.6
121.10148	88.0
123.08101	3.8
123.11713	14.9
131.08548	30.0
133.10138	17.4
135.11690	51.0
137.09604	3.8
139.11171	2.6
145.10094	19.9
146.32100	2.9
147.11702	16.4
149.13255	28.4
159.11702	16.9
161.13341	18.8
163.11116	2.6
163.14796	17.9
173.13268	15.9
175.14732	3.8
177.12909	2.9
177.16396	2.9
187.14824	4.8
192.17639	3.1
219.55281	3.0
233.22655	2.9
243.21040	34.4
261.22162	68.7
293.23212	3.1
301.25256	4.0
309.12924	3.4
312.87860	2.9
318.28046	4.0
319.26288	36.9
335.13300	3.6
336.28967	87.7
337.12589	5.4
338.13440	4.3
353.11746	4.5
353.15637	15.6
353.26813	27.9
353.31583	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64476	2.7
55.05519	7.9
57.03441	4.0
57.07080	4.1
67.05509	70.5
69.07067	19.6
71.08628	3.2
79.05511	44.0
81.07063	100.0
83.08631	13.8
91.05489	21.5
93.07043	61.3
95.08611	78.0
97.06554	4.5
99.04483	5.2
105.07034	21.3
107.08604	60.7
109.06512	7.6
109.10146	32.3
109.52698	3.1
111.44988	3.0
117.07021	12.8
119.08582	20.2
121.10155	43.6
123.11724	18.5
131.08559	31.7
133.10121	18.4
135.11707	45.3
137.13239	7.8
145.10153	18.7
145.83272	3.5
147.11705	24.4
148.26762	4.2
149.13280	27.9
159.11725	14.1
161.13274	15.4
162.73244	3.0
163.14810	12.8
173.13217	23.6
174.82265	3.2
187.14906	11.7
191.00217	3.4
233.22684	4.4
243.21049	32.9
261.22168	87.6
309.09537	5.3
309.13095	6.1
323.07443	19.2
323.10983	10.3
335.12860	3.2
335.25906	7.6
337.12616	20.5
338.09894	22.8
338.13376	9.9
353.08524	5.2
353.12234	31.7
353.15811	35.1
353.27106	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.19353	2.1
55.05510	12.1
57.07086	3.1
58.36120	1.8
61.04938	1.9
67.05509	15.9
69.07072	20.5
71.08632	20.5
72.82355	2.2
74.60624	2.0
79.05494	5.0
81.07059	33.7
83.08620	9.3
91.05482	3.1
93.07040	13.5
95.04960	2.7
95.08591	24.0
97.06554	8.5
97.10195	3.3
99.08088	14.1
105.07019	11.3
107.08598	13.9
109.06526	20.1
109.10151	13.2
111.08075	2.4
119.08578	11.0
121.10152	13.4
123.11687	7.4
131.08562	2.6
133.10146	9.7
135.08060	3.0
135.11687	3.1
139.11153	5.1
145.10121	2.9
147.11681	4.0
149.09697	2.0
149.13240	2.8
158.72415	2.7
159.11685	3.5
161.13196	4.1
165.12743	59.4
175.14862	4.4
177.12675	8.6
179.14291	2.6
209.19000	16.7
289.25302	20.2
309.09662	2.4
309.13184	8.2
317.24738	80.7
321.12811	2.5
323.07431	3.1
323.10870	3.0
335.25812	100.0
337.12500	18.3
338.09857	4.3
338.13446	10.5
353.11954	13.0
353.15793	27.9
353.26886	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.67026	2.8
55.05528	6.5
55.51796	3.3
57.07072	4.5
59.96785	2.7
66.14065	3.0
67.05515	79.6
69.07065	8.4
77.09735	2.8
79.05496	31.3
81.07072	100.0
83.08609	4.4
84.95741	3.4
91.05495	15.7
93.07051	60.4
93.42091	3.5
95.08615	78.1
97.10188	6.2
100.11201	3.3
105.07037	17.8
106.91626	3.3
107.08602	54.1
109.10167	35.8
117.07053	7.2
119.08587	16.7
120.07302	3.2
121.10146	41.9
123.11708	20.7
131.08586	16.6
133.10135	15.8
135.11710	35.9
137.13245	4.3
145.10144	20.1
147.11705	5.3
149.13269	20.8
159.11678	6.4
161.13243	19.1
163.14822	14.9
173.13254	14.3
175.14809	3.9
185.89992	3.5
187.14758	7.4
197.92108	3.9
226.08203	3.1
243.20998	32.9
261.22128	97.9
335.25714	4.5
353.11984	5.8
353.26877	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05527	7.0
57.07079	8.0
64.35928	2.9
67.05504	81.0
69.07048	14.2
71.08620	6.1
79.05496	40.5
81.06606	5.8
81.07059	97.5
83.08629	5.9
90.87239	3.5
91.05459	19.6
93.07037	80.6
95.08608	86.7
97.06499	5.0
98.56940	3.3
98.62685	3.8
99.08089	5.7
105.07030	21.7
107.08588	54.0
109.10157	44.7
117.06971	13.4
119.08562	18.1
121.10148	45.6
123.11682	15.7
125.09634	3.9
131.08530	29.4
133.10126	18.0
135.11685	39.8
137.13280	4.3
145.10097	18.6
147.02380	3.5
147.11649	7.8
149.13246	26.3
159.11679	14.1
161.13260	17.6
163.14804	8.2
173.13228	16.3
175.14801	4.4
177.16335	5.2
187.14815	6.3
243.21016	37.3
256.76196	3.6
261.22079	100.0
335.25742	15.2
337.12772	5.0
353.15677	22.6
353.22961	29.6
353.26807	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.17205	2.3
55.05510	10.9
57.03428	5.9
57.07087	4.3
57.82262	2.2
67.05510	66.5
67.33846	2.5
69.07068	11.8
71.08618	3.7
71.69674	2.7
73.69232	2.4
74.77095	2.8
79.05492	36.9
81.07054	100.0
83.08602	6.9
91.05473	13.1
93.07037	49.8
95.08608	80.4
97.06536	3.9
97.10180	3.5
99.08092	3.3
105.07018	17.9
107.08601	35.3
109.06512	3.4
109.10160	40.7
112.74524	3.1
117.06998	4.3
119.08566	17.3
121.10113	32.9
123.11708	18.4
131.08577	18.2
133.10112	11.0
135.11714	29.9
137.13257	7.1
145.10126	14.6
147.11674	12.1
149.13263	17.3
159.11705	16.1
161.13301	11.0
163.14792	11.3
173.13234	19.8
175.14954	3.7
187.14827	5.5
235.14368	2.9
243.21089	28.3
261.22104	72.8
298.92291	3.0
309.05948	26.7
309.12949	4.6
323.07355	6.4
323.10828	6.6
335.25729	20.8
337.05539	27.6
337.12573	13.8
338.06107	15.0
338.09756	17.6
338.13419	12.3
353.08475	50.8
353.12085	16.7
353.15762	37.6
353.23129	10.5
353.26917	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.88182	2.4
51.61816	2.7
53.95872	2.4
55.05521	6.8
56.96085	2.8
57.07077	3.3
67.05515	63.5
69.07075	11.1
79.05505	36.0
81.07063	79.2
82.06577	2.5
83.08598	6.6
88.99684	2.7
90.10351	2.9
91.05485	12.8
93.07042	54.1
95.08608	73.5
97.06564	3.4
97.10172	3.8
99.64466	2.5
105.07055	12.8
107.08603	50.3
107.67548	2.9
109.10168	43.8
114.42687	2.7
117.07016	4.5
119.08575	20.4
121.10150	44.8
121.81257	3.3
123.11686	27.5
127.11375	3.1
131.08569	26.3
133.10135	13.0
134.71138	2.8
135.11705	39.6
137.13295	4.1
145.10150	19.4
147.11714	17.3
149.13271	27.3
159.11688	17.4
161.13222	12.1
163.14774	12.6
171.91574	2.7
173.13263	15.6
177.16258	3.4
187.14789	4.7
201.16403	2.9
218.78102	3.2
233.22649	2.9
243.21086	30.1
252.96861	2.9
256.65012	3.3
260.71774	3.0
261.22141	100.0
304.01477	3.2
308.12769	3.7
309.13135	21.2
321.13058	4.2
323.11014	13.5
335.25620	5.9
337.12616	40.7
338.09970	3.5
338.13290	25.8
353.15793	65.2
353.26859	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70237	2.2
55.05519	2.3
60.08676	2.2
62.69645	2.0
67.05508	11.8
69.07064	12.6
70.99401	2.3
71.08627	6.1
79.05481	3.9
81.07092	19.4
83.08589	4.3
83.28901	2.8
91.05526	2.6
91.30685	2.5
93.07032	14.9
95.08588	20.2
99.08090	5.3
105.07018	3.6
107.08581	10.8
109.06532	17.2
109.10140	5.8
118.43060	2.2
119.08640	3.9
121.10125	4.6
128.34871	2.2
131.08534	2.8
133.10115	4.3
135.07936	3.2
135.11682	5.0
149.13274	3.6
165.12723	32.2
173.13232	2.8
179.14407	3.0
261.22134	2.6
291.23126	35.5
295.61917	2.3
301.45377	2.3
309.13138	3.4
316.30554	3.3
323.07394	4.4
338.09970	4.4
353.12079	10.2
353.15961	6.1
353.26910	100.0
353.31384	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05524	8.5
67.05508	53.5
69.07088	21.6
72.94920	4.7
79.05521	25.1
81.07064	61.9
83.08643	7.2
90.05566	8.4
91.05473	7.1
93.07072	35.4
95.08614	62.6
107.08598	41.5
109.10167	40.4
117.06988	9.4
119.08582	8.1
121.10178	29.7
123.11714	18.5
131.07596	5.7
131.08585	21.3
133.10150	8.0
134.17574	5.4
135.11722	32.9
145.10176	9.9
147.11757	9.1
149.13254	19.8
154.71519	5.6
159.11682	8.1
161.13295	7.9
164.22882	4.9
165.36415	5.3
173.13295	13.0
175.14812	7.7
225.78845	5.5
243.21085	23.6
246.92937	5.6
261.22147	100.0
309.13058	9.0
323.07507	24.1
323.11029	5.9
335.26144	6.4
337.12744	23.6
338.09525	12.3
338.13239	8.8
353.08334	6.8
353.12112	31.6
353.15848	41.2
353.26926	82.8
353.30075	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.89320	3.5
54.35490	3.7
54.98963	3.7
55.05511	7.6
55.51857	3.7
64.50738	3.8
66.74864	3.9
67.05501	25.3
69.07066	19.5
71.08627	7.7
72.08180	5.4
76.76007	3.8
79.05499	5.6
81.07062	27.8
83.08617	6.2
90.12135	4.6
91.05479	5.2
93.07014	19.0
95.08603	29.5
99.08072	7.2
105.07047	5.5
107.08557	9.9
109.06524	18.8
109.10148	9.1
119.08569	6.7
121.10126	8.8
131.08575	5.2
133.10117	7.7
135.08070	5.3
135.11691	8.2
139.11179	7.9
165.12715	49.9
183.23198	4.4
209.18997	7.2
261.22177	8.6
289.25391	20.0
307.83322	4.7
309.09940	5.1
309.13293	24.1
317.24728	68.5
323.07355	22.9
323.11041	7.2
335.25836	100.0
337.12650	38.6
338.09726	28.7
338.13443	25.5
353.08618	11.4
353.12018	41.9
353.15793	57.0
353.26663	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
54.24013	6.1
55.05523	11.9
57.07078	7.0
61.21518	7.0
62.58429	6.3
67.05507	72.0
69.07086	13.3
77.00662	7.7
79.05509	33.4
81.07067	100.0
83.08637	10.3
91.05482	8.6
92.21339	15.5
93.07045	58.7
95.08615	70.3
107.08592	45.2
109.10143	51.9
109.54636	7.1
119.08584	18.6
121.06509	10.1
121.10119	50.7
123.11726	13.8
131.08575	18.3
135.11726	14.6
145.10045	10.9
149.13185	9.2
159.11716	9.0
163.14818	11.6
231.32986	7.9
239.60777	7.3
243.21092	27.5
261.22177	67.7
309.13141	27.8
323.07468	11.7
337.12589	44.7
338.09827	26.6
338.13397	23.1
353.12030	26.3
353.15891	67.7
353.27222	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43182	0.6
54.19335	0.8
55.05526	4.0
57.07092	0.9
67.05509	11.8
69.07069	8.8
78.81902	0.7
79.05499	11.7
81.06612	1.5
81.07063	27.6
83.08599	6.1
85.06550	1.4
86.06053	1.3
91.05492	7.8
93.07037	22.3
95.04947	1.0
95.08607	22.6
96.42397	0.8
97.06538	4.6
97.10155	3.4
100.07635	1.1
105.07037	14.7
107.08593	16.2
109.06490	1.5
109.10148	7.1
111.08073	1.2
117.07035	3.9
119.08587	12.4
121.06506	3.4
121.10137	19.4
123.08092	1.7
123.11681	1.6
125.09696	0.9
129.07008	3.3
131.08566	11.6
133.10110	11.8
135.08058	5.5
135.11693	13.8
137.09610	2.0
142.08678	0.9
143.08546	7.1
145.10126	15.5
147.08047	1.6
147.11688	10.5
149.09628	3.3
149.13272	4.7
151.11166	1.5
157.10123	7.3
159.11694	11.4
161.09644	4.7
161.13287	7.6
163.11191	5.6
163.14822	1.7
171.11636	8.1
173.13251	8.0
175.11171	5.9
175.14864	2.0
176.88078	1.0
177.12761	3.4
177.16527	0.9
183.11734	1.4
185.13243	10.6
187.14853	1.7
189.12749	7.1
191.14362	1.1
192.13873	0.9
195.11861	0.9
195.13893	0.8
197.13242	1.7
199.14745	7.8
201.12743	2.0
203.14342	4.8
206.15506	1.6
207.13713	1.6
220.16911	1.6
221.15410	4.0
223.14790	1.1
235.16982	2.0
241.19456	1.3
255.21017	1.7
259.20544	1.6
265.19437	1.8
273.22101	6.4
283.20538	13.6
291.23303	1.2
300.23209	17.4
301.21600	37.0
309.13147	3.6
318.24240	47.8
319.22659	26.2
321.13156	1.1
335.26978	2.0
336.25369	24.8
337.12750	4.2
338.13470	3.8
353.16040	10.4
353.27991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.2
59.33819	1.7
67.05516	19.8
69.07057	10.8
79.05499	12.0
81.07063	37.8
83.08625	11.5
83.52250	2.0
91.05495	11.2
92.06438	2.6
93.07046	26.8
95.08616	17.5
95.32761	2.3
96.22056	2.3
97.06493	2.8
100.07605	3.2
105.07053	15.8
107.08585	23.6
107.89909	2.0
109.10164	11.8
113.02799	2.5
117.07005	2.4
119.08577	14.5
121.06485	2.5
121.10155	18.4
129.07028	2.9
131.08546	13.7
133.10123	14.3
135.08055	3.4
135.11687	16.6
137.05949	2.8
143.08586	5.2
145.10107	21.6
147.11679	12.0
149.13281	10.7
154.12372	2.3
157.10130	4.5
159.11710	15.9
161.09648	2.6
161.13210	10.1
163.11084	2.3
163.14795	2.7
169.10098	2.2
171.11731	5.5
172.90514	2.3
173.13277	9.3
175.11208	14.4
175.60347	2.2
182.15361	4.2
185.13222	10.5
189.12822	4.4
197.13281	3.0
199.14810	9.5
203.14304	3.6
230.59082	2.4
273.22098	9.4
283.20544	14.6
300.23203	25.6
301.21609	34.0
309.13223	10.9
315.07666	2.3
318.24271	46.9
319.22672	23.1
323.11090	3.3
336.25299	25.2
337.12665	14.6
338.09671	2.7
338.13467	11.5
353.15955	23.0
353.27969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
59.57639	1.7
67.05511	18.7
68.07195	2.1
69.07061	8.3
73.06476	1.8
77.18434	1.8
79.05486	14.4
81.07065	27.8
82.65103	1.8
83.08617	10.2
91.05490	4.1
93.07043	24.9
95.08606	33.3
95.48739	1.7
97.06542	2.9
97.10172	2.7
100.07591	2.3
105.07040	11.1
107.08623	15.7
109.10156	9.4
111.08102	2.5
117.07050	2.7
119.08574	11.1
121.10132	20.8
123.08092	2.4
123.11681	2.8
131.08580	13.2
133.10146	15.2
133.19623	2.3
135.11678	18.0
143.08557	3.6
145.10114	12.5
147.11700	12.2
149.13237	9.4
157.10135	4.6
159.11647	19.5
161.09630	4.4
163.11191	3.5
171.11653	4.7
173.13315	9.1
175.11179	7.4
177.12730	2.7
185.13235	4.5
195.46782	1.8
199.14828	4.1
202.54834	2.0
217.15857	2.2
273.22009	3.8
275.23566	2.5
281.09998	4.0
283.20486	12.0
284.21255	1.9
290.24667	9.2
291.23492	2.6
297.13217	3.5
300.23248	12.4
301.21640	37.9
308.09003	3.6
308.12512	2.5
309.09497	42.8
309.13156	28.5
310.10205	11.1
318.24347	42.1
319.22549	8.4
321.13324	4.0
323.11011	18.2
325.12650	43.1
328.64792	2.3
335.26913	3.0
336.12131	3.0
336.25204	23.7
337.08893	7.5
337.12634	33.0
338.09763	5.7
338.13403	29.9
353.12030	100.0
353.15820	72.3
353.23593	4.5
353.27945	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93490	0.9
55.01873	2.5
55.05519	5.3
55.92841	0.9
57.07078	5.2
57.82349	1.0
67.05502	11.6
69.07061	15.3
69.94959	1.0
71.08634	5.4
72.04520	37.4
73.62824	1.0
73.81205	1.0
79.05491	2.4
81.07063	17.4
83.08611	12.5
85.10149	1.3
89.07156	19.2
90.05556	9.5
93.07042	7.4
95.08603	16.7
97.10155	11.0
103.82192	1.3
107.08599	4.3
109.10143	9.9
111.11727	5.8
119.08551	1.4
121.10120	13.9
123.11723	1.9
125.09738	1.5
133.10172	1.3
135.11697	9.9
139.11337	1.3
149.13264	6.2
151.14799	1.2
165.12787	1.3
176.56941	1.1
220.34099	1.2
226.16138	1.2
247.24211	1.2
265.25189	10.8
289.21530	4.4
294.27924	10.3
309.12994	1.7
323.07312	5.6
335.25870	2.1
336.28940	100.0
337.12573	4.5
338.09683	1.8
338.13339	2.2
353.08255	2.0
353.12073	3.7
353.15756	9.9
353.31848	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13188	0.5
52.54731	0.6
53.30908	0.6
54.00542	0.5
83.08411	0.6
85.33302	0.5
142.40898	0.8
142.58340	0.6
144.64775	0.6
146.06020	0.8
147.04393	0.7
149.11990	0.7
175.55571	0.7
190.05038	1.3
192.06673	1.2
195.45821	0.7
224.07170	0.9
225.07806	9.9
239.09361	9.3
252.10152	0.7
257.06888	6.3
266.08121	0.9
267.08957	1.3
278.08176	0.8
280.06992	0.7
282.11249	2.5
283.08527	1.0
293.07010	1.1
293.10516	1.0
294.07614	2.5
295.08429	0.9
296.05606	3.8
296.09164	1.0
308.09244	1.2
310.07068	9.1
310.10736	11.9
311.07901	6.4
321.06601	1.5
321.09836	5.7
322.06985	1.0
324.04932	3.5
324.08649	2.3
326.10284	8.5
336.08554	1.1
338.06635	6.3
339.07266	11.9
339.11026	19.9
354.09677	100.0
354.13434	19.8
379.79303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0967
Annotation	Acenocoumarol
Peak:m/z	Relative Intensity
55.36245	0.4
65.71266	0.5
70.45134	0.4
86.63701	0.4
99.68577	0.5
146.06010	2.3
188.07051	0.6
266.08118	1.9
278.08099	0.8
280.09634	0.8
294.07559	3.7
295.08102	0.6
296.09055	0.6
308.09149	23.4
310.10547	0.6
311.11450	0.7
321.09866	0.6
322.07098	2.1
322.10635	1.1
323.11505	0.7
324.08649	1.8
326.10193	0.6
336.12378	0.7
338.10251	1.1
339.07278	1.9
339.10989	7.7
354.09616	100.0
354.13409	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93885	0.2
54.42662	0.2
67.53092	0.3
83.25091	0.2
96.63384	0.2
123.08583	0.2
134.28482	0.3
192.08215	0.3
264.10245	1.2
278.08130	1.1
294.07535	2.4
296.09238	0.9
299.89859	0.2
308.09149	5.7
309.10059	0.5
310.10580	0.3
321.09952	1.3
322.07022	0.6
324.08759	1.1
326.10229	1.1
339.07288	2.8
339.11023	3.1
345.82840	0.3
348.47580	0.3
354.09631	100.0
354.13449	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59180	0.4
52.59433	0.3
57.84603	0.3
66.37170	0.3
69.91706	0.4
74.23333	0.3
81.76987	0.3
121.06464	0.5
152.05609	0.4
153.25880	0.4
159.10825	0.3
187.57448	0.3
207.55782	0.4
264.10138	1.6
294.07529	1.8
295.75476	0.4
296.09381	0.5
308.09134	5.8
309.09729	1.2
322.07089	0.5
324.08719	0.7
335.56674	0.4
339.07538	2.5
339.11026	2.0
354.09637	100.0
354.13440	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0969
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
52.63988	0.2
59.76190	0.2
64.80424	0.3
72.85949	0.3
79.05501	3.5
95.04954	1.4
131.61206	0.3
135.04424	5.3
136.33881	0.3
137.90108	0.3
153.05458	1.6
163.03894	100.0
175.03864	0.7
176.07021	0.3
183.18945	0.3
192.06525	0.5
204.06572	5.4
298.20868	0.4
314.47928	0.4
326.10458	1.1
333.84714	0.3
354.09714	31.2
354.16571	1.6
354.26135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82012	0.2
66.93282	0.3
68.19283	0.2
73.42132	0.4
93.71440	0.3
94.68105	0.3
98.01791	0.3
104.75034	0.2
136.98363	0.3
152.30746	0.3
230.97914	0.3
264.10132	0.7
265.10782	0.3
266.08179	0.5
278.08081	0.5
294.07556	2.2
308.09161	5.4
309.09909	0.5
310.07114	0.4
322.07184	0.4
324.08368	0.6
326.10129	0.5
338.06503	1.1
339.07458	3.9
339.11005	0.8
354.09644	100.0
354.13455	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
54.70122	0.5
57.47950	0.6
60.11534	0.6
88.13965	0.7
91.40222	0.6
116.89806	0.6
172.03931	7.6
189.41379	0.9
190.04994	100.0
218.04532	9.6
301.21017	0.7
323.07520	3.2
324.07672	16.7
339.10056	19.8
354.09625	21.5
354.12762	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
55.85717	0.2
69.03422	0.7
73.02912	3.7
77.80895	0.3
85.02887	2.2
90.22060	0.3
91.03979	2.9
97.02893	0.6
109.02864	0.5
127.03937	2.0
142.48137	0.3
145.04970	0.7
147.04405	1.6
162.05438	2.1
164.07118	0.3
165.05450	0.3
175.03859	0.4
178.04953	0.7
190.04977	0.6
192.06589	3.4
208.06070	0.5
217.07080	0.5
235.08107	1.8
251.09402	0.3
252.10158	0.3
265.07394	0.5
266.08197	0.6
280.07150	1.6
280.09995	0.3
282.07639	2.7
283.08337	0.4
286.12073	0.3
293.06772	2.5
294.07584	1.5
295.08432	1.5
296.05527	4.0
297.10175	0.4
308.09146	1.4
309.06415	2.3
310.07092	9.5
310.10757	0.4
311.07828	4.6
321.06293	1.7
322.07013	0.7
323.07828	0.4
324.05057	4.6
326.10199	11.8
336.08456	1.3
337.05765	0.3
338.06519	3.4
339.07376	14.6
354.09698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13188	0.5
52.54731	0.6
53.30908	0.6
54.00542	0.5
83.08411	0.6
85.33302	0.5
142.40898	0.8
142.58340	0.6
144.64775	0.6
146.06020	0.8
147.04393	0.7
149.11990	0.7
175.55571	0.7
190.05038	1.3
192.06673	1.2
195.45821	0.7
224.07170	0.9
225.07806	9.9
239.09361	9.3
252.10152	0.7
257.06888	6.3
266.08121	0.9
267.08957	1.3
278.08176	0.8
280.06992	0.7
282.11249	2.5
283.08527	1.0
293.07010	1.1
293.10516	1.0
294.07614	2.5
295.08429	0.9
296.05606	3.8
296.09164	1.0
308.09244	1.2
310.07068	9.1
310.10736	11.9
311.07901	6.4
321.06601	1.5
321.09836	5.7
322.06985	1.0
324.04932	3.5
324.08649	2.3
326.10284	8.5
336.08554	1.1
338.06635	6.3
339.07266	11.9
339.11026	19.9
354.09677	100.0
354.13434	19.8
379.79303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47539	0.2
62.57840	0.3
67.15877	0.3
70.87529	0.3
119.05894	0.3
163.06339	0.3
173.65030	0.3
201.68553	0.3
220.77808	0.3
294.07571	2.0
296.09195	0.5
308.09177	4.6
310.07141	0.6
321.09964	1.5
322.07111	0.6
324.08578	1.3
326.10214	0.5
327.60229	0.3
336.08807	0.4
338.06500	0.5
339.07251	3.0
339.11069	2.3
354.09671	100.0
354.13416	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0965
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
52.97012	0.2
54.47354	0.2
58.06591	0.4
99.14542	0.2
124.95082	0.2
145.42749	0.2
174.05556	0.8
174.82622	0.3
176.07050	0.5
182.06943	0.2
238.08540	0.5
248.74387	0.3
264.06436	1.4
265.06976	0.3
266.08014	0.6
267.08875	0.3
278.08252	0.4
280.09717	2.9
280.66232	0.3
292.09592	0.3
293.06735	1.8
293.10165	0.5
295.08499	0.3
296.05435	0.3
306.07471	0.3
307.08386	0.4
308.09152	37.0
309.06418	0.3
310.07101	15.8
310.10629	1.6
311.07993	0.3
311.11496	1.1
321.06384	0.4
321.10101	0.4
322.07095	1.2
322.10693	2.7
323.08112	0.3
323.11569	1.4
324.04926	0.9
324.08621	1.0
324.12213	0.4
326.10312	0.3
326.13852	1.1
336.08481	1.2
336.12283	1.8
337.13055	1.1
338.06567	15.1
338.10147	1.2
339.07257	12.2
339.11005	18.4
354.09583	39.1
354.13354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
66.41518	0.9
91.05545	0.9
110.04395	0.9
130.75224	0.8
149.05965	1.7
159.47830	0.8
163.03954	3.0
174.05508	1.6
176.07103	7.2
188.07166	1.5
189.07835	15.3
221.05904	1.5
228.06470	1.0
233.06090	0.9
249.05219	2.0
250.08636	3.9
250.93683	1.1
251.06999	5.5
252.10304	1.1
266.08176	1.1
268.09659	3.6
278.08090	4.0
279.06436	4.4
280.09637	5.4
296.09048	4.1
298.10776	3.5
308.09341	7.9
310.10297	1.3
310.13522	1.3
324.08307	1.8
324.11771	2.0
325.09570	1.2
326.10226	100.0
336.08664	22.3
338.13046	4.7
339.07291	3.8
339.13998	3.5
354.09628	67.4
354.12738	3.7
354.16833	8.2
354.26266	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0969
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
55.05532	0.6
65.03937	2.2
67.05498	2.7
68.05844	0.6
69.07065	0.6
70.04462	0.5
71.08659	0.6
79.05481	2.4
81.07053	2.8
82.07381	0.9
82.92397	0.5
83.08630	0.6
92.20943	0.8
93.03384	1.0
93.07037	3.7
94.07408	0.9
95.08591	3.5
96.08952	1.1
99.08096	0.5
99.45041	0.5
107.08591	3.0
107.89403	0.5
109.10120	1.1
110.03685	4.2
110.10518	0.5
111.04465	4.1
121.10119	0.7
122.10521	0.6
125.05987	19.2
131.08557	0.8
135.11639	0.8
136.12035	0.9
138.03204	0.5
145.10110	0.6
146.10440	0.7
149.13269	0.6
153.05458	17.2
174.05487	6.7
186.05672	0.6
190.05022	7.2
202.04993	0.8
244.21361	1.3
252.20409	0.7
262.22406	3.9
265.07205	0.7
282.07700	0.8
292.06149	1.0
293.06836	1.4
296.05588	1.4
308.05460	1.1
310.07086	29.7
311.07806	1.0
315.99020	0.6
321.06308	1.1
322.06931	0.7
324.04752	0.7
324.08160	1.3
326.10123	1.1
336.08578	2.6
336.25726	0.6
338.13205	1.0
339.07239	13.1
339.10657	0.8
354.09662	100.0
354.15851	4.9
354.23230	2.4
354.27188	2.8
360.80136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0968
Annotation	ACENOCOUMAROL
Peak:m/z	Relative Intensity
51.47519	0.2
61.61251	0.2
63.63765	0.2
70.54366	0.2
74.68274	0.2
76.64606	0.2
78.11768	0.2
95.08573	0.3
116.10764	0.3
126.29639	0.2
134.14952	0.3
166.58284	0.2
170.78120	0.3
213.02705	0.2
226.77930	0.2
235.06235	0.3
250.08678	0.5
263.05762	1.2
275.05927	0.3
276.06573	1.4
277.07321	0.9
278.08170	1.0
292.06006	9.6
293.06799	13.0
307.08307	1.7
308.05710	0.5
308.09116	1.8
310.13278	0.4
320.05771	0.3
321.06305	8.8
321.09717	0.3
336.08633	100.0
338.13116	0.6
339.07391	0.6
354.09607	6.8
354.12772	0.4
354.16238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0969
Annotation	ACENOCOUMAROL
Peak:m/z	Relative Intensity
53.70922	1.1
55.83819	1.2
58.19600	1.4
65.64844	1.3
70.06587	2.5
84.44657	1.3
97.58648	1.3
121.06429	2.4
121.10184	1.8
137.51888	1.8
142.08611	1.7
144.76500	1.4
275.05734	2.8
292.06015	58.6
293.06870	2.1
294.20724	2.4
304.05853	2.4
306.03970	3.1
308.17047	1.5
310.09900	1.8
310.13306	9.2
320.05536	73.5
321.06293	58.6
322.13644	2.8
324.11624	5.9
336.08630	86.1
338.09457	2.3
338.13098	14.5
339.06775	10.3
339.13745	8.3
354.09543	100.0
354.16336	25.2
354.22818	3.3
370.59048	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0971
Annotation	ACENOCOUMAROL
Peak:m/z	Relative Intensity
57.99434	0.4
65.44863	0.4
225.60574	0.6
275.05713	4.0
278.04428	2.4
291.05301	1.0
292.06021	60.7
293.06863	2.2
304.06052	3.9
306.03970	3.4
307.04761	1.1
310.10489	0.8
320.05518	73.0
321.06296	58.9
326.10306	2.8
336.08636	95.6
354.09686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29567	0.2
72.64662	0.2
73.90425	0.2
74.52680	0.2
85.02840	0.4
97.38840	0.2
106.85767	0.2
118.06532	0.3
118.08334	0.2
146.06044	0.3
150.49719	0.2
155.61731	0.2
174.05461	1.5
178.42883	0.2
180.38515	0.3
192.06546	100.0
192.10127	5.8
354.11871	16.4
354.15375	0.6
369.26514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.85089	0.2
56.11892	0.3
58.97158	0.2
64.43449	0.3
68.03084	0.3
84.14256	0.3
85.02891	1.2
97.02894	0.3
116.65364	0.3
156.70218	0.3
164.06995	0.3
174.05521	1.5
175.09630	0.4
192.06554	100.0
208.65628	0.3
259.43265	0.3
336.14502	2.4
337.10968	0.5
354.11838	18.2
354.15170	1.0
379.24722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.16353	0.4
69.03430	0.9
70.06573	0.6
81.03436	0.5
85.02911	6.3
87.04482	1.9
97.02886	2.8
99.04439	0.7
103.03979	0.6
113.06008	2.9
115.38869	0.5
125.93288	0.4
130.06548	0.8
131.07056	0.7
132.04521	0.7
139.40836	0.5
146.06012	100.0
158.06052	0.7
160.07562	0.7
174.05498	24.1
184.07590	0.7
188.07068	52.5
192.06549	63.0
192.10184	3.3
196.07567	1.9
212.07059	8.1
216.06627	4.3
224.07115	0.5
232.13130	0.7
234.07564	6.4
240.06578	0.6
242.08092	0.7
254.08070	2.1
258.07645	2.4
268.15387	1.0
270.07608	2.1
339.07327	0.8
354.09421	0.8
354.12292	1.8
354.19354	8.7
374.04657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1326
Annotation	Cerasonine
Peak:m/z	Relative Intensity
78.03777	0.3
106.44511	0.4
136.34482	0.3
164.64500	0.4
174.07794	0.4
188.07085	0.5
189.07852	0.5
206.11797	1.9
278.08054	0.9
293.10468	1.7
294.07590	0.5
295.08463	2.4
296.08960	3.0
306.07623	0.7
310.10703	31.4
322.07062	0.8
322.10645	8.2
324.08658	19.2
325.09506	0.9
338.10190	44.1
339.10992	39.1
339.14169	1.2
354.09854	4.7
354.13315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1334
Annotation	Cerasonine
Peak:m/z	Relative Intensity
54.22502	0.5
54.40497	0.5
56.32938	0.5
63.30048	0.6
72.40519	0.6
74.56808	0.6
81.44569	0.6
90.40961	0.6
90.79704	0.6
108.01160	0.6
242.41673	0.7
292.89856	0.9
293.10300	1.0
295.08429	0.7
296.09222	0.8
310.10733	24.8
321.89502	0.8
322.10788	7.3
324.08627	12.4
338.10178	32.7
339.06921	1.2
339.10995	45.7
354.13342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1334
Annotation	Cerasonine
Peak:m/z	Relative Intensity
85.63373	0.5
102.97467	0.4
114.62685	0.4
149.75322	0.4
293.10562	1.6
295.08438	0.7
296.09247	1.7
309.09921	0.9
310.10715	25.4
322.10687	6.6
323.11340	0.5
324.08618	8.7
336.12335	0.8
338.10193	29.8
339.10995	38.4
354.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1324
Annotation	Cerasonine
Peak:m/z	Relative Intensity
59.71702	0.8
79.85808	0.7
84.33796	0.9
88.94750	0.7
119.26978	0.7
206.11823	1.3
218.21465	0.8
295.08365	1.4
296.09204	3.2
309.09525	0.8
310.10699	32.7
320.08960	1.5
321.09827	0.8
322.10757	7.9
324.08698	17.3
334.26907	0.8
338.10196	45.5
339.11029	38.3
339.14627	1.0
354.09976	4.1
354.13342	100.0
360.26962	0.8
365.53137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1335
Annotation	Cerasonine
Peak:m/z	Relative Intensity
58.25433	0.2
64.64467	0.2
69.60683	0.2
74.58403	0.2
155.83646	0.2
184.78552	0.2
213.07870	0.5
214.08658	3.3
229.10999	0.4
247.03894	0.2
267.06409	0.3
268.09857	0.3
277.05118	0.4
278.08054	1.5
279.08810	1.9
280.09698	1.7
282.07520	0.2
282.11261	1.0
283.11884	0.3
290.02518	0.2
292.09708	1.1
293.07327	0.3
293.10437	2.8
294.04913	0.4
294.07645	0.9
294.11209	1.1
296.09247	1.5
306.07605	0.5
307.08478	1.9
307.11887	0.4
308.09174	9.7
308.12814	3.8
309.10004	1.1
310.10736	11.1
311.11569	2.7
320.09161	0.4
321.10098	2.6
322.10724	12.5
323.11505	8.3
324.08755	4.2
324.12360	0.7
325.09442	0.3
326.10239	0.8
326.13867	1.6
336.08847	0.5
336.12262	11.7
337.10049	0.3
337.13071	8.9
338.10202	11.2
339.07578	0.9
339.11017	16.3
354.09628	10.4
354.13358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1332
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.97668	0.2
54.14982	0.2
58.06607	1.0
62.91782	0.2
65.69897	0.2
78.85975	0.3
89.02402	0.2
93.68466	0.3
118.43202	0.3
156.47469	0.3
173.56526	0.3
214.08626	0.6
221.09581	0.5
266.08224	0.5
278.08081	0.7
279.08951	0.3
280.09525	2.0
293.10449	0.5
294.07623	1.2
294.11115	0.3
296.09177	1.0
305.20294	0.4
307.08386	0.6
308.09180	25.5
308.12729	1.8
309.09756	0.4
310.07019	1.4
310.10782	4.0
311.11441	1.2
321.09946	0.5
322.10693	5.1
323.11539	3.9
324.08643	1.4
324.12204	0.5
326.09995	0.4
326.13928	0.6
336.12234	4.5
337.13174	2.9
338.06702	0.8
338.10159	3.2
339.07379	1.3
339.11002	15.0
354.09583	21.7
354.13379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1333
Annotation	Cerasonine
Peak:m/z	Relative Intensity
55.00782	0.4
56.96443	0.4
58.06592	0.6
64.09185	0.4
65.69678	0.4
73.19635	0.3
112.52012	0.5
140.96509	0.4
206.47890	0.4
214.08748	0.9
215.61240	0.4
221.09572	0.6
254.39513	0.5
266.07993	0.4
278.08118	0.8
279.08795	0.7
280.09714	0.8
282.07993	0.5
282.11163	0.4
292.09451	0.5
293.10373	0.6
294.07736	0.8
307.08429	1.8
308.09186	23.0
308.12747	2.1
309.09937	0.9
310.10782	6.5
311.11456	1.7
321.10059	0.7
322.10773	6.9
323.11520	4.9
324.08618	1.8
324.12112	0.9
326.13925	0.5
336.12286	8.5
337.13098	6.3
338.10074	6.9
339.07388	1.4
339.11014	14.0
354.09583	21.1
354.13376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1333
Annotation	(-)-8-Oxocanadine
Peak:m/z	Relative Intensity
50.85117	0.9
57.03429	1.1
65.03944	1.0
65.38154	1.2
67.05507	6.7
68.05842	1.8
69.07063	1.4
73.30173	1.0
79.05486	4.7
80.05863	0.9
81.07038	8.8
82.07388	2.1
83.08606	1.1
93.07033	6.9
94.07371	1.5
95.08582	5.1
96.08966	1.3
107.08588	4.3
108.08926	2.4
109.10177	2.5
119.08566	1.4
121.10144	2.4
122.10468	2.2
123.11710	1.1
131.08559	2.1
132.08899	1.6
136.12141	1.2
150.13489	1.5
153.69987	1.3
163.14819	1.2
164.04660	21.1
174.05467	9.4
176.07056	57.0
190.04967	5.6
197.13974	1.1
244.21382	1.6
261.22235	2.2
262.22528	10.5
307.08566	1.1
310.10498	1.8
324.08658	2.7
338.10098	6.5
339.07266	2.2
339.10983	19.0
354.09567	29.1
354.13351	100.0
354.22668	2.8
354.27017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1333
Annotation	Cerasonine
Peak:m/z	Relative Intensity
56.33206	0.2
70.08862	0.2
90.64449	0.2
130.08163	0.2
155.02925	0.2
177.13644	0.2
178.91338	0.2
181.49783	0.3
193.99593	0.2
250.08498	0.4
263.09491	0.9
268.09665	1.1
278.08099	2.2
291.08823	1.6
292.09735	1.8
293.10397	8.7
296.09103	7.6
306.07556	4.9
307.08118	0.3
308.08997	0.4
310.10754	3.2
311.11487	0.4
320.09167	0.9
321.09943	27.6
322.10730	0.5
324.08630	8.2
338.10046	0.3
339.11002	83.0
341.21451	0.3
354.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1326
Annotation	Cerasonine
Peak:m/z	Relative Intensity
58.06586	0.9
60.36127	0.6
61.35951	0.6
70.25621	0.6
89.62302	0.8
190.62585	0.8
191.02620	0.9
192.69957	1.0
227.98363	0.8
278.08017	1.0
293.10342	4.1
295.17432	0.9
296.09167	22.8
298.14255	0.9
299.14676	1.1
306.07495	4.1
310.10483	1.1
321.09940	13.3
324.08640	85.7
339.11014	100.0
354.09833	5.5
354.13342	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.132
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.13297	0.4
58.06604	0.5
85.02911	0.5
111.15138	0.5
117.90250	0.4
121.06464	0.6
122.99387	0.4
137.05931	0.8
141.52122	0.5
148.67142	0.4
186.62103	0.4
218.10083	1.7
266.08344	0.7
268.09705	0.6
278.08157	0.9
291.08868	0.8
292.09607	0.8
293.10312	5.4
294.07794	0.5
296.05811	0.9
296.09171	15.3
306.07642	2.7
307.08435	0.6
308.09235	1.7
310.10663	2.5
311.07996	0.6
311.11661	0.9
319.44513	0.5
321.09937	19.1
322.10519	0.7
324.08661	54.1
336.04895	0.9
336.08716	2.3
338.10043	1.0
339.11014	89.8
354.09772	6.8
354.13327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1335
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.61541	0.7
50.97848	0.8
54.20018	0.7
69.22502	0.8
81.22428	0.9
81.40150	0.9
85.47677	0.9
102.61658	0.9
163.74673	0.9
214.08627	1.9
278.08090	1.4
279.08871	1.1
282.11465	1.0
293.10623	2.2
294.07745	1.4
294.11227	1.6
307.08426	1.7
308.09103	8.2
308.12778	3.6
310.10693	14.5
311.11496	1.4
321.09961	3.8
322.10712	14.0
323.11530	10.8
324.08673	4.3
336.12360	22.3
337.13031	11.8
338.10306	10.9
339.07239	1.2
339.11011	21.2
354.09641	10.3
354.13379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1336
Annotation	Cerasonine
Peak:m/z	Relative Intensity
52.25493	0.5
146.06004	2.4
150.00305	0.6
181.75017	0.5
188.07130	1.3
192.06578	1.3
268.09824	1.3
278.08047	2.4
291.09076	1.8
292.09528	1.1
293.10471	9.3
296.09146	6.9
296.25772	0.7
306.07599	4.3
310.10770	3.0
311.11636	0.6
321.06113	1.0
321.09943	26.9
324.08682	8.1
339.11026	87.8
354.13351	100.0
368.03467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1335
Annotation	Cerasonine
Peak:m/z	Relative Intensity
54.52818	1.2
68.22858	1.4
69.46265	1.3
91.09887	1.5
119.07847	1.4
170.79086	1.8
190.05045	2.2
231.37065	1.9
296.09085	2.3
310.10608	10.7
321.09897	3.0
324.08624	100.0
326.10324	1.8
338.13068	3.6
339.11002	80.1
353.37335	1.9
354.09622	6.9
354.13229	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1334
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.06836	0.7
50.51590	0.8
52.29082	0.7
60.25965	0.8
60.65149	0.7
61.34035	1.1
61.85950	0.8
68.06541	0.7
70.68827	0.7
71.32702	0.7
76.07652	1.1
86.23196	1.0
86.89330	0.8
89.03915	0.8
116.04979	4.1
118.06647	1.1
122.47923	0.7
134.06065	1.3
144.04475	10.9
144.52113	0.9
146.06030	3.3
147.04408	8.9
149.05951	1.1
162.05457	1.7
174.05501	100.0
179.07019	5.7
184.88316	0.8
187.32161	0.8
189.07823	1.9
193.35951	1.0
246.65622	0.9
268.55240	1.1
292.09570	1.2
296.09042	0.9
308.09235	7.7
310.10434	1.5
321.06293	4.3
322.10730	8.6
323.11508	17.5
324.05045	1.5
324.08417	1.7
326.10147	7.5
326.13867	4.8
336.08633	6.0
339.07434	22.8
339.11038	3.5
354.09558	23.8
354.13379	76.7
354.26532	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1334
Annotation	Protopine
Peak:m/z	Relative Intensity
62.50579	1.0
63.44609	0.9
71.58504	1.2
100.85925	1.2
111.98934	1.2
129.48563	1.4
291.08957	1.9
292.09653	2.4
293.10428	8.8
296.09198	7.1
306.07498	6.5
310.10663	2.9
321.09949	28.1
324.08536	8.6
339.10999	89.8
346.06168	1.3
354.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1333
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.66368	0.4
63.23817	0.4
63.36716	0.5
65.63451	0.5
90.25035	0.4
92.28179	0.4
120.61018	0.4
134.29439	0.5
296.09213	2.8
306.07678	0.8
310.10678	9.8
310.13708	0.9
321.10013	3.1
322.10675	3.1
324.08646	100.0
326.10440	0.7
338.10114	2.0
339.10995	73.8
354.13339	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1333
Annotation	Cerasonine
Peak:m/z	Relative Intensity
56.09034	0.4
56.61056	0.3
58.06614	3.7
59.25166	0.4
67.65733	0.4
71.56017	0.4
81.03435	0.6
85.02882	0.8
85.06536	0.7
87.04468	0.9
97.02886	0.5
121.06503	5.2
127.03912	0.5
151.07491	0.6
157.08702	0.6
173.17909	0.5
178.08583	1.0
179.06924	0.5
190.04951	0.7
192.06570	0.7
226.08704	0.6
227.09402	2.8
255.08794	0.6
259.08325	2.2
266.08054	2.5
267.08865	10.8
268.09677	0.6
278.08127	1.8
283.08377	5.6
288.08539	3.3
291.09036	2.1
292.09662	0.7
293.07062	1.3
293.10455	6.8
295.08347	0.7
296.06021	1.1
296.09171	6.0
306.07550	4.1
308.09186	2.7
310.07037	1.9
310.10797	3.1
311.07870	31.4
321.09973	21.0
322.10638	0.7
324.08548	7.2
326.10226	21.9
336.08765	2.8
336.14401	0.9
338.06470	0.9
338.10193	0.7
339.07257	20.7
339.11005	67.5
354.09628	100.0
354.13416	69.9
354.18863	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59330	0.2
57.03440	0.4
59.21531	0.3
69.03407	1.7
73.02921	0.5
81.03416	0.3
85.02920	3.4
87.04437	0.4
97.02872	2.2
99.04462	0.6
99.73261	0.3
119.51846	0.3
127.02493	0.3
127.03900	2.2
143.01927	1.2
145.04982	1.4
155.01900	0.6
156.38953	0.4
163.06113	0.4
173.03059	0.4
174.05537	4.5
177.07828	6.7
185.02983	0.7
187.04579	0.4
187.74503	0.3
188.56322	0.3
192.06590	13.5
192.10197	100.0
197.03008	0.4
203.04021	0.7
215.04037	0.4
216.15010	0.3
245.05031	3.2
264.90604	0.4
265.05597	0.6
283.06659	0.8
301.07758	0.6
331.08713	2.4
338.13779	0.4
354.06418	0.6
354.11829	2.0
354.15540	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85434	0.3
55.02457	0.3
66.86757	0.4
72.70467	0.3
80.41986	0.3
82.13359	0.4
82.94488	0.3
85.02940	0.3
97.06527	0.3
121.06500	15.5
136.06204	0.7
137.96776	0.3
138.94562	0.3
139.07539	1.5
150.09154	0.5
177.07826	5.7
192.06660	3.7
192.10188	100.0
234.09830	1.6
261.92731	0.5
336.14249	0.6
346.22537	0.4
354.11737	1.8
354.15527	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70264	0.2
65.29227	0.2
69.72371	0.2
88.63354	0.3
91.29971	0.3
96.57440	0.2
150.75945	0.2
161.87505	0.3
178.04845	0.6
190.08640	4.0
294.07867	0.3
294.10947	1.9
296.09421	0.4
296.12674	1.1
306.12097	0.4
307.08438	1.3
307.11951	0.5
308.09177	0.6
308.12720	2.9
309.09970	2.0
309.13354	0.8
310.10663	3.7
310.14297	1.2
311.11816	0.3
320.12744	0.6
321.13449	1.1
322.10699	4.4
322.14301	25.8
323.11478	3.4
323.15121	8.0
323.19006	0.3
324.08707	3.1
324.12256	34.5
336.04880	0.5
337.12994	0.6
338.10309	4.0
338.13834	69.7
339.10983	5.2
339.14630	49.7
352.15402	1.5
354.13251	13.3
354.17007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50612	0.4
55.85233	0.4
59.58271	0.4
84.48259	0.5
122.21610	0.5
125.23614	0.6
188.07065	2.1
190.08618	100.0
308.08746	0.6
322.13574	0.6
324.11349	1.9
338.12784	3.6
339.10132	0.7
339.13861	2.5
354.16916	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93487	0.5
56.09635	0.5
57.46159	0.5
57.90889	0.5
77.72570	0.5
83.34607	0.5
87.55758	0.5
103.21884	0.6
125.00636	0.6
131.84834	0.5
291.09991	0.7
292.10541	0.8
306.11597	0.8
307.11942	2.1
308.12851	1.2
309.09875	1.2
321.13608	0.9
322.10712	1.3
322.14340	23.8
323.11426	2.4
323.15173	8.0
324.12250	32.4
337.12808	0.6
338.13840	68.8
339.14648	49.4
339.17749	1.3
352.15555	2.3
354.16980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70375	0.4
69.87792	0.5
78.32065	0.4
88.20309	0.5
166.05190	0.6
175.06284	0.9
190.08632	32.3
278.08081	0.7
279.09811	0.6
307.11981	0.9
308.09515	0.6
308.12906	2.7
309.09915	1.1
310.10785	2.3
310.14322	1.2
312.09741	0.6
321.13458	1.1
322.10788	2.7
322.14352	24.5
323.11508	3.8
323.15198	8.5
324.08777	1.5
324.12274	27.6
337.12833	1.8
338.10406	2.5
338.13849	65.9
339.11356	2.0
339.14651	48.6
352.15378	1.0
354.09747	2.5
354.13568	4.8
354.17004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35067	0.7
53.99401	0.7
64.68326	0.8
70.06134	0.8
112.82685	0.7
153.92253	0.8
170.34915	0.8
190.08620	22.5
199.62869	0.9
247.42566	0.9
261.16077	0.8
294.11237	1.2
296.19296	0.9
307.12201	0.8
308.12863	1.9
310.10724	1.0
310.14355	1.4
320.13071	1.0
322.10760	4.5
322.14304	26.9
322.17996	1.3
323.11414	5.5
323.15179	7.8
324.08405	0.9
324.12262	33.8
338.10211	2.4
338.13815	69.7
339.11584	2.4
339.14642	52.4
352.15375	1.4
354.13498	5.2
354.16980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57539	0.3
64.35429	0.3
86.86993	0.3
89.68708	0.3
92.72012	0.3
131.63641	0.4
138.46523	0.4
161.72093	0.3
190.08630	31.0
190.10301	1.2
218.67564	0.4
232.64021	0.3
278.11737	0.4
292.11124	0.3
296.12781	0.8
306.11493	0.5
308.09546	0.4
308.12772	2.3
309.10001	2.3
309.13168	0.4
310.10715	3.1
310.14307	1.3
320.12772	0.7
321.13611	1.3
322.10974	2.6
322.14374	24.0
323.11502	2.6
323.15149	8.6
324.08841	2.2
324.12274	34.3
336.12439	0.4
337.12961	1.5
338.10269	4.7
338.13837	66.3
339.10974	4.1
339.14633	44.9
339.18942	0.4
352.15378	1.5
354.13260	10.8
354.17001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1701
Annotation	Dihydropalmatine
Peak:m/z	Relative Intensity
75.86041	0.4
84.29528	0.4
93.13198	0.4
116.13619	0.4
138.42801	0.6
180.18646	0.5
250.86366	0.5
266.45541	0.5
292.10788	0.6
294.11475	0.5
296.12759	0.8
307.12164	0.8
308.12949	3.1
309.09918	2.2
310.14377	1.7
320.13019	1.8
321.13699	1.9
322.11063	1.5
322.14398	24.8
323.11557	3.3
323.15201	8.4
324.08374	0.5
324.12302	33.6
338.13867	74.2
339.14661	50.6
339.18942	0.9
352.15393	2.3
354.16995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1697
Annotation	Dihydropalmatine
Peak:m/z	Relative Intensity
53.50612	0.4
55.85233	0.4
59.58271	0.4
84.48259	0.5
122.21610	0.5
125.23614	0.6
188.07065	2.1
190.08618	100.0
308.08746	0.6
322.13574	0.6
324.11349	1.9
338.12784	3.6
339.10132	0.7
339.13861	2.5
354.16916	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78559	0.5
97.02854	0.6
105.16428	0.5
110.01872	0.5
195.82664	0.6
307.11948	0.9
308.12814	1.2
308.59235	0.6
309.10129	0.6
310.10925	1.1
310.14413	2.3
321.13513	1.0
322.14417	25.8
323.11478	3.2
323.15283	6.4
324.08405	1.0
324.12296	33.1
338.13834	68.5
339.14633	50.1
352.15372	1.2
354.13583	4.9
354.16998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80536	0.4
68.66362	0.4
68.79891	0.5
69.07565	0.5
76.74026	0.5
82.30078	0.6
97.95606	0.6
119.11791	0.6
128.56035	0.5
150.54732	0.5
190.08623	37.5
211.54518	0.5
239.69179	0.5
243.20236	0.8
255.94855	0.5
280.10663	0.6
294.11157	0.6
296.09396	0.7
306.12250	0.6
308.09537	0.8
308.12830	3.7
309.09946	2.3
310.10727	9.9
310.13977	0.9
320.09183	1.1
320.12885	0.8
322.10730	5.9
322.14362	28.0
323.11499	3.9
323.15189	8.4
324.08597	20.6
324.12308	32.8
337.12958	1.2
338.10147	12.9
338.13818	70.2
339.10916	19.9
339.14651	48.7
352.15359	1.7
354.13220	36.5
354.17004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	9.4
59.35853	0.6
60.08163	4.1
60.97944	0.6
63.60969	0.6
65.62918	0.6
69.03412	0.7
73.02905	4.1
74.00669	0.8
82.06596	1.3
84.08136	0.9
85.02876	1.3
86.09698	0.9
87.04467	1.2
87.60793	0.8
91.03955	1.5
94.06546	1.7
95.01234	0.8
97.02893	1.6
99.04486	0.7
100.07623	18.2
102.00753	0.7
108.08124	0.7
109.02859	1.0
115.07554	1.5
117.10251	16.9
118.08644	11.7
127.03914	1.5
130.04962	1.3
132.08055	1.1
134.09642	1.5
145.05017	0.8
146.06015	4.1
146.09668	6.0
148.07581	1.7
148.11192	7.1
150.05536	0.9
157.08649	1.2
160.11220	3.1
162.12721	1.0
163.12291	10.8
164.10770	0.9
168.06500	1.5
174.09117	1.2
175.09602	1.4
175.12286	1.6
187.12334	1.0
188.06999	1.2
191.11772	1.6
192.06564	3.4
192.10172	1.0
203.11795	1.1
225.08023	1.0
231.11316	5.2
249.12273	6.0
277.11884	2.5
290.18658	2.9
292.20300	1.1
308.19608	13.2
321.10031	1.1
326.10092	1.4
336.19156	22.9
339.07370	2.6
339.11014	1.2
344.94595	0.8
354.09598	16.2
354.13239	5.0
354.20218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	6.2
58.06586	0.4
62.06084	0.4
66.33110	0.3
67.05488	0.5
67.55237	0.3
70.06595	7.3
71.08646	4.0
80.18457	0.3
80.20795	0.3
81.07040	0.4
85.10152	0.6
87.88871	0.3
88.07632	18.8
93.07018	0.4
95.08605	0.4
99.08074	0.4
102.09180	6.4
106.07973	0.6
106.08671	15.5
115.47909	0.3
168.03261	4.2
186.04332	3.5
190.04956	0.6
212.23782	0.4
230.24826	0.5
256.26334	22.6
274.27390	100.0
324.07568	2.3
336.21774	1.8
336.25317	1.4
338.13019	0.7
339.10016	1.9
339.13617	0.8
354.12500	2.5
354.16183	2.7
354.23071	67.7
355.36624	0.4
365.38748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32640	1.6
55.05515	4.2
57.03442	3.0
58.06586	2.3
63.22534	1.7
67.05518	19.6
69.07071	24.2
70.06600	4.1
78.04770	1.9
79.05501	14.2
81.07073	28.1
82.06583	4.4
83.04971	2.1
83.08601	4.8
84.08138	5.0
86.09711	2.3
87.16187	1.9
88.07635	8.1
91.05472	9.0
93.07037	22.6
94.06566	13.2
94.60668	2.3
95.04995	2.5
95.08613	21.8
96.08118	10.1
97.06522	3.5
97.10165	9.7
99.08070	2.3
105.07063	8.6
107.08591	18.2
109.06480	2.4
109.10163	5.0
111.08106	2.6
114.09173	12.2
116.10713	4.0
117.07030	2.9
119.08562	9.5
121.10133	11.9
123.11665	2.6
125.09650	4.1
131.08563	4.5
133.10144	8.4
135.11684	3.9
137.09647	4.1
145.10135	7.8
147.11699	8.7
149.13248	8.2
159.11659	3.7
164.14319	22.1
182.15387	10.7
190.05038	2.4
200.16464	13.2
206.15381	2.4
208.17055	3.4
220.16954	5.1
224.16457	3.4
226.17987	9.9
238.18019	33.2
244.21417	2.5
262.22372	15.4
275.20029	8.6
278.08069	4.1
286.20352	2.0
313.17743	12.7
318.24237	4.5
336.25388	41.4
354.09473	10.8
354.13287	2.9
354.26419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2631
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
54.32640	1.6
55.05515	4.2
57.03442	3.0
58.06586	2.3
63.22534	1.7
67.05518	19.6
69.07071	24.2
70.06600	4.1
78.04770	1.9
79.05501	14.2
81.07073	28.1
82.06583	4.4
83.04971	2.1
83.08601	4.8
84.08138	5.0
86.09711	2.3
87.16187	1.9
88.07635	8.1
91.05472	9.0
93.07037	22.6
94.06566	13.2
94.60668	2.3
95.04995	2.5
95.08613	21.8
96.08118	10.1
97.06522	3.5
97.10165	9.7
99.08070	2.3
105.07063	8.6
107.08591	18.2
109.06480	2.4
109.10163	5.0
111.08106	2.6
114.09173	12.2
116.10713	4.0
117.07030	2.9
119.08562	9.5
121.10133	11.9
123.11665	2.6
125.09650	4.1
131.08563	4.5
133.10144	8.4
135.11684	3.9
137.09647	4.1
145.10135	7.8
147.11699	8.7
149.13248	8.2
159.11659	3.7
164.14319	22.1
182.15387	10.7
190.05038	2.4
200.16464	13.2
206.15381	2.4
208.17055	3.4
220.16954	5.1
224.16457	3.4
226.17987	9.9
238.18019	33.2
244.21417	2.5
262.22372	15.4
275.20029	8.6
278.08069	4.1
286.20352	2.0
313.17743	12.7
318.24237	4.5
336.25388	41.4
354.09473	10.8
354.13287	2.9
354.26419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24193	1.1
63.98512	1.2
68.21543	1.2
68.92764	1.2
69.07083	2.4
69.92559	1.2
81.07065	8.3
83.08648	1.7
93.07030	6.0
95.08600	6.0
105.07038	5.5
107.08588	11.2
109.10168	8.9
119.08581	7.1
121.06535	1.8
121.10134	5.6
122.84415	1.5
123.11727	3.0
131.08571	1.7
133.10115	7.6
135.08047	2.9
135.11749	1.7
137.13251	2.0
143.08554	1.4
145.10136	2.7
147.07997	1.2
147.11697	2.3
149.09674	1.8
149.13240	2.6
157.10092	3.1
159.11667	2.4
161.13266	2.4
163.11166	1.6
171.11731	2.8
173.13266	2.2
181.04932	2.7
181.10117	2.5
183.11652	2.4
185.13257	1.9
190.05000	8.3
195.11653	2.5
197.13321	2.2
199.14857	2.8
209.13190	2.7
223.14873	5.0
227.14413	2.1
239.17813	1.4
241.19684	1.6
253.19362	5.2
255.21048	8.2
265.19492	11.4
271.20627	8.0
283.20526	15.0
289.21512	2.4
292.06024	1.6
294.07419	1.7
301.21567	33.4
310.13580	3.1
319.22723	14.1
321.06323	67.6
322.14136	2.8
326.10233	5.2
336.08606	26.0
337.23553	11.4
338.13086	3.1
339.07132	2.2
339.13965	1.9
345.09113	2.7
354.09677	55.7
354.16742	14.0
354.26193	100.0
355.24802	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2637
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.05507	10.0
57.07079	3.5
58.06611	3.2
60.04539	2.4
66.11714	2.2
67.05504	22.9
69.07082	15.6
69.07428	2.1
70.06595	12.1
76.07635	2.6
77.50719	1.7
79.05506	16.0
81.07063	26.8
81.57785	1.9
82.06568	2.9
83.08624	8.3
84.08160	4.7
86.09711	9.2
88.07627	9.2
91.05482	11.9
93.07039	22.8
93.99622	2.0
94.06578	5.0
95.08620	31.9
97.10135	3.3
105.07031	9.7
106.08687	3.3
107.08601	19.5
109.10157	13.1
116.07119	2.4
119.08573	14.4
120.44714	2.1
121.10140	13.9
124.11224	8.2
125.09653	3.2
131.08543	4.2
133.10114	4.0
135.11708	4.9
137.09663	2.4
142.12291	2.8
145.10118	2.9
147.11655	5.0
149.13264	3.1
159.11734	3.8
161.00952	2.0
161.13297	3.5
182.15436	9.4
190.04874	3.1
200.16499	3.9
224.16438	3.1
276.26141	2.4
278.21182	3.5
294.24200	10.4
301.21689	3.1
318.24326	12.3
336.25311	49.0
339.10785	2.9
354.09647	6.9
354.13251	5.1
354.26318	100.0
354.33456	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49082	2.5
55.05490	4.3
55.26455	2.7
57.06813	3.6
57.07085	40.1
67.05506	7.6
68.21466	3.3
68.99616	3.4
69.07065	7.0
71.08631	35.4
81.07043	21.7
83.08631	6.2
85.10172	21.4
88.03452	3.9
88.03993	100.0
92.70028	3.5
95.08089	3.4
95.08600	34.5
97.10170	3.4
98.02406	3.8
99.00834	5.3
109.10170	15.0
116.03438	4.6
123.11716	3.7
129.92322	3.4
137.76793	3.6
150.07724	57.1
190.04973	14.9
200.70166	3.3
206.26227	3.0
239.23671	21.9
243.61107	3.5
256.26358	25.0
262.22629	4.2
336.25510	3.4
338.13449	4.3
339.10745	7.8
354.09537	16.3
354.12979	9.1
354.16568	17.2
354.26410	65.2
354.90735	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30482	2.1
60.31194	2.2
67.05509	3.0
69.07082	2.5
72.37897	2.1
76.20309	2.3
81.07054	12.0
93.07039	10.1
95.08607	13.8
97.06548	2.7
99.07993	2.3
105.07037	13.0
107.08592	18.5
109.10145	5.0
119.08604	10.4
121.06522	2.9
121.10151	11.4
123.11732	3.6
125.09631	14.5
131.08556	14.5
131.41438	2.2
133.10114	11.6
135.11691	4.1
137.09660	2.9
143.08549	5.8
145.10115	13.2
147.11697	14.7
157.10120	13.8
159.11633	5.8
169.10098	4.1
171.11646	5.1
173.13275	11.7
181.10115	4.1
183.11679	12.9
185.13263	14.5
190.04955	2.8
190.64615	2.5
194.10922	2.4
195.11682	10.2
197.13249	29.2
199.14830	21.0
209.13269	11.0
211.14934	2.7
213.16426	2.6
223.14803	15.3
225.16362	12.4
253.19542	16.5
254.27129	2.6
255.18509	2.8
255.21077	5.3
265.19513	28.0
271.20587	4.1
283.20554	100.0
292.09439	4.5
301.21628	27.8
310.10349	2.8
319.22601	39.0
320.09293	5.0
321.09988	5.2
324.92358	3.0
336.08640	15.7
336.12335	4.0
336.25394	3.1
338.12775	4.4
339.10925	4.6
354.09482	15.6
354.13397	19.5
354.16656	10.8
354.23080	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.9
55.95382	2.1
57.03439	4.6
57.07080	3.7
57.31311	2.2
64.90091	2.3
67.05513	65.1
68.05833	20.7
69.07076	13.9
71.08638	3.3
79.05499	45.6
80.05839	13.4
81.07066	78.6
82.07404	31.9
82.19483	2.4
83.08620	5.9
85.06528	3.8
85.10172	2.7
91.05482	22.7
92.05817	5.6
93.07047	63.5
94.07379	27.7
95.08612	54.0
96.08954	33.7
105.07023	19.3
106.07388	6.4
107.08598	38.2
108.08945	21.4
109.10140	23.5
110.10499	11.4
113.09660	3.9
114.64178	2.9
117.07023	5.0
118.07371	3.7
119.08570	12.5
120.08942	12.3
121.10130	28.6
122.10490	23.7
123.11691	11.5
124.12025	3.9
131.08556	12.5
132.08926	11.6
133.10129	11.4
134.10455	11.4
135.11694	24.2
136.12010	19.6
145.10147	10.7
145.84248	3.0
145.94304	2.6
146.10506	11.7
147.11697	11.8
148.12061	6.7
149.13231	11.7
150.13596	15.4
158.10472	3.0
159.11659	10.1
160.12001	12.3
161.13298	5.4
162.13622	12.2
163.14830	11.3
164.15208	10.9
165.16423	3.1
173.13274	3.3
174.13567	15.1
178.16730	6.5
188.15172	10.7
190.04994	15.9
218.19705	3.2
232.21269	2.9
234.22911	4.3
243.21062	5.7
244.21452	43.0
261.22073	14.9
262.22473	100.0
279.08337	2.6
283.49942	3.4
283.79797	3.3
324.07941	4.2
336.25900	10.9
339.10168	5.3
354.09338	4.3
354.13113	5.7
354.27057	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43049	3.6
57.07080	5.1
61.48469	3.4
67.05507	63.4
68.05840	7.1
69.07058	17.0
76.46555	3.6
79.05489	32.4
80.05820	8.0
81.07064	67.5
82.07401	18.7
91.05481	10.2
93.07064	51.9
94.07372	15.3
95.08608	44.4
96.08934	20.6
105.07053	16.1
106.07381	6.8
107.08606	28.2
108.08931	9.8
109.10161	21.6
110.10480	8.1
117.07040	7.0
118.58246	3.9
119.08593	14.9
120.08945	4.9
121.10133	32.1
122.10500	18.1
123.08043	6.0
124.12018	6.4
129.30287	3.7
131.08583	9.3
132.08913	7.8
133.10129	5.3
135.11713	20.6
136.12015	17.6
137.13060	4.2
145.10104	9.0
146.10468	16.5
147.11757	7.3
149.13377	5.3
150.13661	15.9
151.11053	5.3
159.11665	5.4
160.11990	4.7
161.13136	4.9
164.15215	8.7
173.13370	6.1
174.13538	7.4
190.05014	37.2
190.58026	3.7
200.42799	4.1
234.19295	4.7
244.21335	24.1
252.20576	4.5
261.22153	8.1
262.22473	100.0
280.19803	4.7
294.07800	4.5
324.07779	33.8
336.25809	19.7
338.13306	4.4
339.10376	40.0
354.09528	35.5
354.13303	48.5
354.16537	6.2
354.23724	24.1
354.27588	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81921	3.3
54.74358	3.2
56.22459	3.7
67.05510	62.2
68.05839	15.7
69.07068	7.3
79.05490	31.2
80.05827	5.5
81.07056	66.9
82.07388	19.7
83.08587	4.4
91.05465	7.9
92.05701	3.8
93.07033	55.0
94.07368	26.7
95.08600	61.2
96.08972	27.3
105.07011	6.5
107.08598	37.2
108.08926	20.9
109.10143	24.7
110.10518	13.0
117.07056	4.6
118.07389	5.1
119.08589	6.6
120.08903	4.2
121.10130	30.0
122.10480	24.0
123.11668	5.9
124.12050	3.6
131.08559	19.8
132.08873	7.2
133.10138	8.5
134.10504	3.8
135.11687	16.1
136.12042	18.0
138.11696	3.8
145.10139	5.4
146.10472	6.3
147.11624	5.5
149.13249	14.1
150.13608	7.7
159.11676	5.1
160.12044	8.1
162.13628	6.5
163.14749	5.0
164.15173	8.0
173.13281	4.9
174.13562	5.2
190.04973	39.4
215.76320	3.8
234.22980	4.6
243.21165	4.2
244.21353	52.8
261.22128	17.5
262.22479	100.0
323.07443	5.3
324.07767	51.6
336.26077	7.0
339.10147	45.9
354.12814	64.0
354.27097	51.5
363.95486	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90009	4.0
55.05516	4.0
57.07078	5.8
58.24927	4.5
60.59416	3.9
67.05508	49.8
68.05837	12.1
69.07064	11.1
71.08625	6.1
79.05495	25.9
80.05819	6.3
81.07066	53.0
82.07384	23.8
83.08594	7.0
91.05489	8.9
93.07034	52.0
94.07372	22.1
95.08604	58.3
96.08938	11.6
105.07024	7.6
105.44502	4.2
107.08639	41.9
108.08939	10.6
109.10139	29.1
110.10500	5.9
117.07017	7.6
119.08538	5.8
120.08862	6.9
121.10136	31.6
122.10480	6.5
123.11652	5.5
124.12093	5.1
131.08572	11.2
132.08893	5.7
135.11688	20.2
136.12057	10.6
137.13292	5.5
142.70894	5.1
145.10130	7.1
149.13252	18.5
150.13617	10.4
159.11646	7.6
160.12001	4.9
164.15219	5.9
174.13583	5.4
182.43739	4.4
188.15189	5.9
190.05026	11.4
244.21425	30.3
244.95451	5.4
261.22043	20.1
262.22467	100.0
263.05734	22.5
278.08099	26.8
279.05444	5.8
322.07315	37.0
336.26163	7.9
354.09573	8.6
354.26999	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81746	4.7
57.07055	6.9
61.96570	4.5
62.94662	4.6
67.05509	83.6
68.05843	9.0
69.07063	12.5
71.08630	5.4
73.77047	5.0
76.90768	5.5
79.05493	32.7
80.05853	17.2
81.07064	77.0
82.07385	30.5
86.77658	4.9
91.05457	10.2
93.07040	69.4
94.07370	27.1
95.08591	58.7
96.08938	9.5
105.07017	10.1
107.08609	38.9
108.08932	23.0
109.10152	23.4
110.10436	9.4
117.07030	8.2
119.08558	8.4
121.10134	31.4
122.10463	25.5
123.11679	9.8
124.93148	7.2
131.08516	7.5
132.08932	7.2
134.10490	6.9
135.11676	21.8
136.12044	25.6
138.84714	5.5
145.10109	8.0
146.10387	7.4
147.11699	7.9
148.12115	10.3
149.13290	10.3
150.13573	10.5
160.12138	6.7
174.13528	8.3
188.15221	7.2
190.05025	12.9
244.21384	43.7
261.22070	9.0
262.22382	100.0
278.07986	5.6
322.06894	7.1
336.25455	21.3
338.13370	7.5
339.10751	12.0
354.09430	17.8
354.12930	18.6
354.17224	38.0
354.27045	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93288	2.3
55.01875	17.1
55.05513	11.2
57.03437	5.9
57.07055	4.7
67.05506	15.4
68.05845	3.5
69.07072	41.7
70.07401	12.8
71.04982	2.2
79.05484	5.4
81.07070	21.1
82.07384	4.3
83.04982	2.7
83.08634	19.1
84.08955	4.1
93.07042	18.0
94.06796	2.6
94.07397	5.8
95.08607	18.2
96.08930	5.4
97.06533	3.3
97.10145	4.8
107.08588	16.0
108.08937	12.3
109.10147	11.2
110.10502	4.7
111.08070	3.0
114.66306	2.6
121.10132	11.3
135.11707	5.0
136.12019	4.7
153.12746	19.0
154.13091	5.5
174.70880	2.6
190.05025	3.3
218.03166	2.4
244.21429	2.7
262.22430	5.6
280.23526	20.5
310.13425	14.8
322.13474	6.3
324.11392	11.7
338.13019	35.1
339.13782	24.8
354.16071	69.3
354.27103	100.0
361.78882	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	4.1
55.64948	2.4
61.63078	2.8
67.05509	55.2
68.05825	11.5
69.07062	5.2
79.05492	19.0
80.05820	2.8
81.07066	66.3
82.07407	17.4
86.56976	3.1
91.05470	6.1
93.07053	29.7
94.07370	12.5
95.08618	45.0
96.08942	23.5
98.56326	3.1
105.07014	6.3
107.08614	23.2
108.08928	6.8
109.10155	28.5
110.10499	12.1
117.06948	4.3
119.08573	12.9
120.08937	5.2
121.10156	24.6
122.10482	19.6
123.11736	15.9
124.12041	11.7
131.08517	5.3
132.08859	4.7
133.10109	4.1
135.11707	16.7
136.12012	16.7
137.13303	3.4
139.66087	2.9
145.10179	3.5
146.10480	4.6
148.12013	5.2
149.13290	7.0
150.13617	15.7
150.74513	3.4
159.11752	3.5
160.12019	5.6
162.13615	5.3
163.14885	5.4
164.15179	4.4
173.13304	6.0
174.13638	4.7
178.16753	2.9
188.15164	6.6
244.21364	35.0
261.22156	17.0
262.22464	98.5
280.23499	4.9
336.26105	27.8
354.27176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01587	2.6
55.05519	6.3
57.03447	4.3
57.07078	3.3
67.05508	71.4
68.05836	24.5
69.07063	15.4
70.07407	3.7
79.05099	3.3
79.05495	30.7
80.05827	11.9
81.07066	93.1
82.07381	38.8
83.08608	5.0
91.05486	14.5
92.05833	4.9
93.07040	56.6
94.07400	29.8
95.08614	75.5
96.08925	29.6
97.06524	3.2
105.07034	13.1
106.07362	5.1
107.08617	40.9
108.08922	26.1
109.10177	39.2
110.10485	19.3
113.75536	2.7
117.07082	5.4
118.07351	4.8
119.08582	14.4
120.08907	6.8
121.10123	33.8
122.10497	28.1
123.11700	17.6
124.12049	14.3
131.08571	10.8
132.08940	11.6
133.10121	15.5
134.10475	12.2
135.11685	23.5
136.12044	23.3
137.13220	4.2
145.10118	12.5
146.10466	13.9
147.11702	6.1
148.12030	13.3
149.13272	14.5
150.13599	16.2
154.12215	10.8
159.11621	10.6
160.12054	15.1
161.13190	5.5
162.13589	6.4
163.14899	4.8
164.15150	13.4
172.13258	4.1
173.13295	6.9
174.13589	11.2
188.15074	5.0
190.05032	12.7
207.83267	3.1
234.23058	3.4
244.21370	24.5
261.22110	14.8
262.22464	94.8
336.26123	16.4
339.10626	4.7
354.09659	12.2
354.27054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87126	2.0
55.05517	9.9
57.03438	2.3
57.07072	10.2
58.49212	2.2
67.05512	67.3
67.43826	1.9
68.05837	16.7
69.07060	13.1
70.07404	3.0
71.04998	2.8
71.08649	4.8
75.43733	2.3
79.05494	30.8
80.05827	14.3
81.07067	68.2
82.07392	25.2
83.08618	13.9
85.10193	3.3
90.78410	2.5
91.05482	12.7
92.05827	3.3
93.07040	53.1
94.07371	27.6
95.05021	2.6
95.08598	61.1
96.08941	29.1
97.06507	2.6
97.10192	3.7
97.61595	2.2
99.08102	2.8
103.84497	2.5
105.07020	15.0
106.07388	3.6
107.08593	34.5
108.08914	25.4
109.06495	2.9
109.10173	21.0
110.10489	10.7
113.09673	2.7
119.08582	5.7
120.08894	4.1
121.10120	31.1
122.10491	20.5
131.08604	11.2
132.08910	11.9
133.10123	11.0
134.10451	3.1
135.11670	25.5
136.12030	18.3
137.13228	2.8
137.24715	2.8
145.10130	13.3
146.10464	5.5
147.11740	8.7
148.12029	4.7
148.84651	2.7
149.13234	18.2
150.07739	5.1
150.13591	18.8
153.05394	3.9
159.11716	4.5
160.12000	12.5
161.13289	3.5
162.13602	4.8
164.15155	12.3
173.13271	4.8
174.13579	13.5
177.12775	2.5
177.16353	4.3
178.16768	3.6
188.15167	3.4
190.05016	25.3
192.14745	2.9
229.08101	2.5
234.22914	5.9
244.21454	37.4
261.22061	14.7
262.22470	100.0
264.24249	2.7
280.23514	3.0
308.12659	3.2
310.07120	3.8
310.13361	3.3
324.07306	3.6
324.11646	3.6
326.10306	3.9
336.25961	17.8
338.13541	9.7
339.10577	11.6
339.14221	3.9
354.09329	36.9
354.13171	14.6
354.17206	21.3
354.27078	58.9
363.93326	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93288	2.3
55.01875	17.1
55.05513	11.2
57.03437	5.9
57.07055	4.7
67.05506	15.4
68.05845	3.5
69.07072	41.7
70.07401	12.8
71.04982	2.2
79.05484	5.4
81.07070	21.1
82.07384	4.3
83.04982	2.7
83.08634	19.1
84.08955	4.1
93.07042	18.0
94.06796	2.6
94.07397	5.8
95.08607	18.2
96.08930	5.4
97.06533	3.3
97.10145	4.8
107.08588	16.0
108.08937	12.3
109.10147	11.2
110.10502	4.7
111.08070	3.0
114.66306	2.6
121.10132	11.3
135.11707	5.0
136.12019	4.7
153.12746	19.0
154.13091	5.5
174.70880	2.6
190.05025	3.3
218.03166	2.4
244.21429	2.7
262.22430	5.6
280.23526	20.5
310.13425	14.8
322.13474	6.3
324.11392	11.7
338.13019	35.1
339.13782	24.8
354.16071	69.3
354.27103	100.0
361.78882	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	8.3
57.07082	1.5
60.04522	1.5
63.87100	1.0
67.05515	9.5
69.07063	5.3
70.06583	1.1
72.08158	100.0
78.88882	0.9
79.05508	5.7
79.43446	1.0
81.07063	13.6
83.08605	5.5
84.04542	1.8
86.06067	4.3
90.84212	1.0
91.05464	1.9
93.07029	6.8
95.08614	7.6
97.10171	2.6
107.08607	8.2
109.10162	4.5
110.28812	1.1
118.08653	56.1
118.09494	2.4
119.08598	1.9
119.84512	0.9
121.10136	7.6
133.10152	1.1
135.11708	4.3
157.10143	1.3
190.05000	1.5
223.83588	1.0
250.17990	1.0
277.21619	1.4
289.40845	1.1
294.24503	2.5
308.29449	5.0
318.24338	3.9
336.25311	13.0
336.28851	2.1
354.09720	1.7
354.26196	12.7
354.30029	19.7
354.33820	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	5.7
57.92026	0.8
58.85791	0.9
70.06596	71.0
71.08643	4.4
81.07069	1.3
85.10160	1.6
92.21010	1.9
95.08614	2.4
101.55159	1.0
116.07096	100.0
142.86545	1.1
167.02209	1.2
172.72510	1.1
190.04953	1.2
329.36130	1.3
354.09335	3.6
354.13272	5.2
354.30008	34.7
354.34213	1.7
366.55453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05026	2.8
57.07084	13.9
62.14756	0.7
65.59243	0.6
67.05498	4.2
69.07066	3.2
69.45822	0.8
70.06590	7.2
71.08631	9.6
72.04519	8.6
73.02911	2.8
74.73941	0.6
81.07068	5.9
83.08630	3.1
85.10186	6.2
95.08611	7.2
97.10158	1.3
98.06061	12.2
104.30223	0.7
109.10165	4.2
116.07092	100.0
159.47646	0.7
171.73608	0.6
190.04956	6.3
218.04654	0.7
239.23677	0.9
282.27975	4.2
283.26346	9.2
326.10425	0.8
336.08087	0.8
339.10785	1.7
354.09653	3.8
354.13333	1.5
354.30023	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05521	47.1
57.07087	43.7
58.06593	17.9
60.04542	3.1
67.05515	50.4
69.07069	100.0
70.70192	3.9
71.08633	38.6
73.27000	3.4
79.05504	6.0
81.07061	88.4
83.08624	87.0
85.10175	8.2
87.76622	3.0
91.05467	6.7
93.07034	21.2
95.08610	89.1
97.06551	6.2
97.10169	81.2
100.07603	4.5
105.07030	16.2
107.08588	15.4
109.10163	46.7
111.08122	4.1
111.11716	31.6
113.09587	4.0
119.08583	12.5
121.10130	20.2
123.11697	26.7
125.09628	7.7
125.13234	5.5
133.10098	17.6
135.11682	22.0
137.09610	4.7
137.13338	12.0
147.11732	12.5
149.13229	6.4
161.13217	7.8
170.38600	4.4
175.14806	4.4
179.14229	4.5
190.05045	5.4
301.28772	17.6
315.43784	3.7
319.30151	32.2
326.09683	4.4
336.25269	15.8
336.28854	10.4
336.32465	34.6
337.31076	4.2
339.10715	7.1
354.09482	15.6
354.13287	18.8
354.17010	8.2
354.26419	17.2
354.29807	39.7
354.33673	79.5
355.32217	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81046	3.3
53.12373	3.6
55.05520	44.4
57.07087	33.3
58.06593	19.6
67.05508	41.4
69.07074	100.0
70.06580	4.7
70.30032	3.0
71.08630	27.8
71.35070	3.6
72.08143	4.7
74.36638	3.1
79.05482	16.5
81.07058	82.6
83.08620	74.4
85.10173	8.8
91.05486	7.3
93.07051	25.0
95.08600	74.4
97.06525	5.4
97.10162	68.8
103.30058	3.7
105.06999	7.2
107.08610	15.2
109.10151	47.7
111.08084	6.9
111.11700	18.5
119.08569	15.8
121.10176	18.5
123.11693	20.7
125.13263	3.8
133.10123	18.4
135.11679	19.3
137.09579	6.2
137.13214	6.5
147.11691	8.0
149.13197	8.0
152.49419	3.6
161.13243	6.7
164.14314	3.5
165.16270	3.5
175.14803	6.1
177.16330	4.6
189.16451	4.1
190.04898	5.6
294.24207	5.4
301.28879	13.9
319.21887	3.7
319.29950	24.7
323.19376	3.9
336.16763	7.1
336.25308	14.6
336.29062	6.5
336.32443	26.6
337.30872	6.2
339.10992	6.5
354.09601	14.5
354.13196	15.7
354.17697	42.5
354.21484	5.1
354.26358	20.9
354.30246	21.7
354.34204	67.3
355.31943	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3363
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05502	7.0
57.07080	14.7
63.03840	2.0
63.98232	1.7
67.05514	13.0
69.07080	14.0
70.06614	2.5
71.08643	15.6
81.07070	19.2
82.07381	2.2
83.08627	19.4
85.10177	8.8
88.07653	15.3
95.08611	19.4
97.10165	11.7
106.08653	7.2
107.08637	2.2
108.93274	1.9
109.10161	10.3
111.11748	2.5
112.76881	1.8
121.10160	1.8
123.11710	2.7
140.61433	1.6
147.11736	1.8
190.05084	3.0
194.11559	3.9
263.89185	1.8
292.23563	3.9
324.08310	2.1
336.09012	2.0
336.32693	3.8
339.07169	2.0
354.09631	10.7
354.13254	7.0
354.27307	15.0
354.33691	100.0
355.31985	13.9
374.88937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58278	1.8
71.08633	3.5
71.14265	1.9
73.72852	1.8
80.51671	2.0
83.08628	1.9
88.07634	2.9
92.21456	2.9
138.51646	2.1
144.07208	2.0
161.04576	2.1
174.56053	1.9
190.05051	7.5
206.60294	1.9
284.29526	27.4
295.26321	7.9
354.09647	7.6
354.16705	2.5
354.33997	3.6
354.37308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51492	1.1
60.17244	1.7
76.15567	1.6
84.08142	8.9
85.32770	1.4
92.21001	2.0
97.02932	1.9
99.04464	3.7
101.89255	1.7
109.02826	1.4
115.75746	1.8
121.06502	1.7
122.06039	2.4
122.06877	1.6
127.03889	1.5
130.08670	3.3
131.01634	1.6
135.04416	8.2
138.06319	2.3
139.07562	2.4
140.07880	3.0
145.02837	10.7
147.11240	2.5
148.24214	1.5
151.07617	1.6
152.07040	3.4
159.85373	1.6
163.03894	100.0
172.66548	2.0
179.09056	1.7
204.07808	2.0
209.04471	2.1
210.05844	1.7
211.06100	1.9
309.09747	7.3
337.14243	3.3
338.13123	6.4
355.08167	10.6
355.10229	22.1
355.15228	14.6
355.19177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51492	1.1
60.17244	1.7
76.15567	1.6
84.08142	8.9
85.32770	1.4
92.21001	2.0
97.02932	1.9
99.04464	3.7
101.89255	1.7
109.02826	1.4
115.75746	1.8
121.06502	1.7
122.06039	2.4
122.06877	1.6
127.03889	1.5
130.08670	3.3
131.01634	1.6
135.04416	8.2
138.06319	2.3
139.07562	2.4
140.07880	3.0
145.02837	10.7
147.11240	2.5
148.24214	1.5
151.07617	1.6
152.07040	3.4
159.85373	1.6
163.03894	100.0
172.66548	2.0
179.09056	1.7
204.07808	2.0
209.04471	2.1
210.05844	1.7
211.06100	1.9
309.09747	7.3
337.14243	3.3
338.13123	6.4
355.08167	10.6
355.10229	22.1
355.15228	14.6
355.19177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.09
Annotation	Laurencin
Peak:m/z	Relative Intensity
52.56790	0.9
58.21476	0.9
97.02908	10.0
106.57746	1.1
117.83401	1.1
121.06488	2.6
131.01604	1.7
136.06189	25.8
140.59894	1.2
192.10240	1.5
193.06918	1.8
193.10474	1.9
197.78175	1.2
258.06583	1.2
277.05740	1.1
314.09180	7.6
355.08932	100.0
355.15219	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38073	0.8
59.50371	0.8
60.07635	1.1
62.43847	1.0
68.76040	0.9
83.35030	0.9
90.05559	1.7
99.04482	1.2
123.05575	1.0
124.07572	4.2
150.09155	6.4
152.07076	5.7
156.83253	1.0
166.08585	1.5
168.06543	5.7
176.07098	2.3
177.01624	1.7
178.08621	1.1
180.06540	22.4
180.08051	1.3
192.03918	15.1
193.04742	3.8
194.08145	31.5
204.06525	8.6
210.58070	1.0
221.09286	1.9
222.05618	1.5
222.07584	38.0
239.10294	4.8
240.08534	2.3
282.08084	1.1
324.08032	1.2
337.14401	1.3
355.09985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13227	0.9
55.55124	0.8
59.73431	0.9
92.21517	2.2
104.58229	1.2
172.03917	2.2
173.04259	2.3
190.04997	36.0
191.05324	41.1
219.04797	4.2
297.08380	1.1
309.09213	1.4
310.09897	1.5
311.10022	6.4
322.09210	5.4
324.07654	15.4
325.07932	85.2
339.09991	11.7
340.10303	85.4
355.12952	100.0
376.95392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11898	0.1
56.42436	0.1
59.16381	0.1
81.07013	0.2
91.05499	0.3
98.97562	0.8
101.72536	0.2
116.98619	0.3
119.04919	0.2
130.92728	0.2
133.10092	0.2
135.04410	0.2
144.06566	0.2
149.05954	1.9
150.06297	1.4
151.03859	0.9
152.04221	0.8
161.05870	0.3
163.03867	0.3
166.07253	0.2
174.05464	0.4
175.05922	1.2
176.06993	2.0
177.07440	2.3
185.47417	0.2
188.06912	0.4
189.07826	6.7
190.08185	8.2
208.65637	0.2
213.07800	0.3
214.08217	0.3
221.05920	0.4
221.74173	0.2
222.06364	1.6
223.09386	0.2
224.07906	0.7
227.08965	0.3
229.06920	1.4
236.98480	0.2
239.08937	0.2
240.07704	0.2
240.10144	0.2
240.97034	0.2
241.10362	0.3
249.07422	0.8
250.05797	1.3
250.08453	0.4
251.06935	0.7
251.09166	2.1
252.07321	4.9
252.09991	0.2
253.10484	1.1
262.05948	0.2
267.08408	0.8
268.06903	0.3
268.09634	0.9
269.09995	4.2
278.08215	0.8
279.08600	4.2
280.06830	3.8
280.09586	0.8
281.10025	3.7
282.08386	0.7
290.94812	0.7
295.07819	0.3
296.09003	0.3
297.09543	2.1
298.10260	0.7
299.10986	2.4
307.07922	0.4
308.08997	0.9
309.09476	6.7
310.07962	1.2
322.06723	0.2
325.09048	1.1
326.10077	7.5
326.13742	0.4
327.10529	100.0
337.08966	18.7
337.13211	0.3
339.13437	0.4
340.10846	0.3
355.10013	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11898	0.1
56.42436	0.1
59.16381	0.1
81.07013	0.2
91.05499	0.3
98.97562	0.8
101.72536	0.2
116.98619	0.3
119.04919	0.2
130.92728	0.2
133.10092	0.2
135.04410	0.2
144.06566	0.2
149.05954	1.9
150.06297	1.4
151.03859	0.9
152.04221	0.8
161.05870	0.3
163.03867	0.3
166.07253	0.2
174.05464	0.4
175.05922	1.2
176.06993	2.0
177.07440	2.3
185.47417	0.2
188.06912	0.4
189.07826	6.7
190.08185	8.2
208.65637	0.2
213.07800	0.3
214.08217	0.3
221.05920	0.4
221.74173	0.2
222.06364	1.6
223.09386	0.2
224.07906	0.7
227.08965	0.3
229.06920	1.4
236.98480	0.2
239.08937	0.2
240.07704	0.2
240.10144	0.2
240.97034	0.2
241.10362	0.3
249.07422	0.8
250.05797	1.3
250.08453	0.4
251.06935	0.7
251.09166	2.1
252.07321	4.9
252.09991	0.2
253.10484	1.1
262.05948	0.2
267.08408	0.8
268.06903	0.3
268.09634	0.9
269.09995	4.2
278.08215	0.8
279.08600	4.2
280.06830	3.8
280.09586	0.8
281.10025	3.7
282.08386	0.7
290.94812	0.7
295.07819	0.3
296.09003	0.3
297.09543	2.1
298.10260	0.7
299.10986	2.4
307.07922	0.4
308.08997	0.9
309.09476	6.7
310.07962	1.2
322.06723	0.2
325.09048	1.1
326.10077	7.5
326.13742	0.4
327.10529	100.0
337.08966	18.7
337.13211	0.3
339.13437	0.4
340.10846	0.3
355.10013	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.57479	0.3
56.20205	0.3
60.96174	0.3
88.13052	0.3
89.03902	1.9
96.94206	0.3
105.26859	0.3
107.04974	0.5
117.03355	2.4
135.04413	9.5
136.19737	0.3
145.02841	9.6
163.03893	100.0
175.05890	0.4
238.35016	0.3
355.13788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72334	0.5
54.96922	0.5
59.33824	0.5
62.07062	0.6
62.62315	0.5
72.47324	0.6
99.04468	0.7
148.11740	0.7
152.23926	0.7
160.83362	0.7
200.52481	0.8
201.05455	0.8
228.72546	0.7
276.06165	2.5
279.04660	3.0
292.05945	6.3
293.06354	57.6
294.07132	1.2
295.09366	0.9
304.05936	0.8
305.06354	1.5
307.04233	2.9
308.05142	1.2
320.05396	3.4
321.05865	74.9
322.06650	59.5
324.07974	0.9
337.08966	98.8
339.09222	1.0
355.09949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69581	0.3
55.93123	0.3
77.03945	0.3
79.05496	4.1
80.05860	2.1
81.91662	0.3
89.83425	0.3
94.25237	0.3
95.04957	1.3
96.05291	0.4
97.63622	0.3
98.97547	0.6
115.46611	0.3
116.98616	0.7
118.06538	0.3
130.98955	0.3
135.03514	0.3
135.04419	5.9
136.04735	4.3
153.05484	1.7
154.05780	1.4
163.03893	100.0
164.04228	89.3
170.46278	0.3
175.03917	0.4
176.04262	0.5
190.04979	0.5
191.05370	0.3
192.06561	0.4
204.06563	3.0
205.06911	4.3
206.01085	0.3
236.98611	0.5
287.81424	0.3
290.94699	1.4
327.10513	2.2
328.65393	0.3
337.09009	0.5
339.13605	0.4
340.14215	0.5
355.10037	57.5
355.16272	3.2
355.26450	3.6
369.82877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28784	0.9
55.09264	0.8
55.51989	0.9
57.07063	1.2
63.24330	0.9
65.03929	0.9
66.04256	1.2
67.05493	6.0
69.07050	1.7
70.29935	0.9
71.07063	1.0
75.44228	0.9
79.05479	1.0
81.07050	6.6
82.07366	1.1
83.08610	1.0
88.14315	1.1
91.05513	1.0
93.07023	2.3
95.08585	6.3
98.97603	1.8
107.08595	2.0
109.10157	4.8
110.03674	5.0
110.72433	1.0
111.04436	4.9
111.40710	1.0
116.62441	1.2
119.08586	1.0
121.10114	1.5
121.99899	1.1
123.11677	1.6
125.05989	19.0
126.06348	10.7
129.07004	2.0
133.10138	1.4
134.99701	1.4
135.11697	1.2
151.07565	1.8
153.05455	21.5
154.05798	12.3
159.08014	1.9
174.05521	4.5
175.05849	4.2
175.07439	1.4
181.08575	2.0
187.07541	4.2
190.04813	3.1
191.05338	2.2
202.50256	1.1
208.50926	1.2
263.23230	1.5
290.94501	1.9
293.06424	1.1
294.06982	1.6
295.13239	1.3
297.05966	2.5
309.11081	1.3
310.07016	6.5
311.07407	40.6
323.12592	1.3
327.10745	1.3
337.26999	1.3
340.10806	2.5
355.10019	100.0
355.14807	7.4
355.23242	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.54332	0.2
58.71951	0.2
64.34406	0.2
74.19392	0.2
80.85207	0.3
83.04974	0.5
83.74214	0.2
89.03922	1.9
90.13608	0.3
107.04982	0.4
117.03376	2.3
117.21868	0.3
135.04408	7.0
145.02841	10.2
145.03926	0.5
163.03889	100.0
163.20193	0.3
181.49281	0.3
266.94968	0.3
311.07370	0.5
337.09152	0.3
339.06891	1.1
340.07739	1.1
355.09921	2.9
355.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17411	0.2
54.21302	0.2
65.80238	0.3
68.10951	0.3
71.13438	0.2
72.15660	0.3
73.30132	0.3
77.58624	0.2
79.10478	0.3
79.29733	0.2
89.03926	1.7
95.04994	0.4
107.04940	0.4
117.03384	1.8
135.04417	7.8
145.02853	9.9
161.02347	0.3
163.03902	100.0
193.04961	0.4
197.73152	0.2
255.54768	0.3
340.07590	2.7
340.11377	0.6
353.96039	0.3
355.09543	3.3
355.13791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1016
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.51519	0.2
58.78622	0.3
76.04858	0.3
89.03924	1.7
94.52381	0.3
107.04941	0.3
111.44859	0.3
117.03379	2.0
121.06474	0.4
135.04417	6.7
137.05981	0.3
144.72736	0.3
145.01810	0.6
145.02850	8.7
163.03896	100.0
201.05417	0.5
316.62344	0.3
322.10229	0.6
340.11313	4.8
355.13766	6.2
373.61206	0.3
375.04727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.57479	0.3
56.20205	0.3
60.96174	0.3
88.13052	0.3
89.03902	1.9
96.94206	0.3
105.26859	0.3
107.04974	0.5
117.03355	2.4
135.04413	9.5
136.19737	0.3
145.02841	9.6
163.03893	100.0
175.05890	0.4
238.35016	0.3
355.13788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.27547	0.4
57.03444	0.6
61.77863	0.4
69.03400	0.5
73.38805	0.4
84.08148	3.5
85.02920	0.5
89.03911	2.3
101.94093	0.5
107.04935	0.6
111.04438	0.5
117.03393	2.4
129.10234	0.5
135.04434	8.2
145.02847	10.1
147.11343	0.8
152.07069	0.7
162.10182	0.5
163.03889	100.0
209.04381	0.9
293.09235	0.6
311.10220	1.1
316.72708	0.5
337.14145	0.7
338.13098	1.0
355.09799	12.0
355.15048	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59640	0.2
58.06607	0.3
63.02359	0.2
69.51177	0.3
83.04991	0.3
89.03915	1.5
89.19755	0.3
92.93874	0.3
106.22752	0.3
107.04938	0.3
108.51824	0.3
117.03370	3.0
121.06485	0.4
135.04417	8.0
137.62393	0.3
145.02844	9.3
160.09302	0.3
161.02428	0.3
163.03893	100.0
193.04881	0.3
222.51498	0.3
240.40038	0.3
294.10754	0.3
295.42520	0.3
297.09634	0.5
307.07883	0.4
311.07471	0.3
322.10318	2.8
336.85870	0.3
339.10757	0.4
340.11337	7.4
355.10382	0.6
355.13770	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35444	0.9
88.82973	1.0
91.05486	5.8
91.18318	1.0
102.04709	1.1
119.04911	11.8
124.05180	1.9
130.04140	1.4
133.06522	1.1
137.05977	41.4
147.04401	8.2
149.05946	1.3
150.06697	1.9
151.03932	1.4
151.07549	1.9
158.03622	1.7
161.05966	1.1
162.06766	4.9
164.39796	1.1
169.14719	1.1
173.05975	6.3
175.03931	9.9
177.05457	1.3
179.07104	1.8
181.60371	1.0
186.03162	4.8
189.07004	1.3
201.05455	100.0
203.07077	2.3
205.06503	2.5
211.15710	1.1
213.05411	1.3
222.06677	1.2
231.06520	3.9
233.05969	4.3
234.06781	6.5
235.07451	1.6
237.09084	4.1
245.06076	2.3
249.09113	4.8
250.06267	2.3
251.06966	1.4
253.08846	1.1
262.06247	11.4
265.08633	7.7
266.09320	1.9
273.05499	1.7
274.06329	1.2
276.07947	1.3
277.08594	14.8
279.06561	2.2
279.10214	1.0
290.05695	14.9
292.07324	1.8
293.08023	2.0
294.08813	1.7
305.08041	16.8
307.06189	1.8
307.09708	4.4
310.13412	6.3
311.13724	17.1
314.17963	1.3
321.91058	1.3
322.08151	4.7
323.09247	1.7
323.13681	3.7
324.11157	2.3
325.11383	15.9
337.10526	13.5
338.12869	4.2
339.13171	36.6
340.13992	24.7
355.11716	21.0
355.16269	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05479	6.0
92.39380	1.6
119.04921	14.2
124.05170	2.9
133.06418	1.6
137.05969	35.9
147.04408	10.2
150.06674	1.9
161.05942	2.5
161.32791	2.0
173.05968	8.7
175.03894	9.6
175.07471	1.8
177.05443	2.9
186.03149	3.8
189.05489	2.5
201.03775	4.1
201.05455	100.0
203.06905	1.6
205.06551	2.3
206.07254	1.9
220.24930	1.7
231.06516	2.8
233.05959	2.2
234.06772	6.3
235.07484	1.9
237.09065	6.3
245.05995	6.5
249.09068	3.8
250.06343	2.6
262.06207	12.3
265.05768	1.6
265.08502	11.7
266.09491	3.1
276.88254	1.9
277.08594	11.1
284.85370	1.9
290.05582	13.0
292.07413	1.7
293.08072	5.8
294.08646	2.8
305.08154	12.8
311.10886	8.0
323.11331	2.9
323.14645	20.4
324.12097	6.3
324.15637	3.5
325.13043	20.7
327.10596	2.7
337.10757	14.4
338.13870	9.7
339.10455	7.2
339.14194	58.7
340.11017	10.4
340.14960	40.6
355.12653	29.1
355.17307	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Vitrofolal B
Peak:m/z	Relative Intensity
50.95288	1.0
50.98362	1.0
51.23136	1.0
55.01862	1.5
60.19209	1.1
61.84638	1.1
68.99772	1.1
69.43480	1.1
70.40057	1.1
70.78471	1.1
78.23518	1.1
90.32046	1.1
91.05463	1.4
107.04977	1.2
123.54700	1.2
125.47324	1.1
130.19690	1.3
131.04886	1.7
131.23758	1.3
133.06487	1.4
137.06006	8.7
145.02937	1.6
145.06523	1.9
147.08112	2.3
149.05940	1.3
151.03896	5.3
151.07619	2.4
159.63887	1.0
160.30637	1.2
161.06015	2.5
163.07503	2.0
165.05530	2.3
165.06944	1.5
173.05978	2.0
175.07538	1.8
178.07840	1.8
179.08473	1.3
201.05452	13.6
207.08037	2.9
221.09520	1.2
224.08272	1.7
225.09100	1.6
234.06770	6.5
235.07477	8.9
237.09045	2.7
239.07021	2.3
239.10704	2.7
249.09073	2.2
251.07010	5.6
252.07875	4.6
253.08574	5.7
255.10246	1.6
256.07285	1.9
262.06226	5.2
263.07016	5.9
264.07721	2.3
265.08612	2.9
266.09351	6.5
267.10095	9.5
269.08139	5.3
277.08557	5.0
280.07385	2.2
281.08240	2.8
283.09644	6.3
290.05737	2.1
290.94485	1.5
293.08044	2.4
294.08575	1.5
295.09641	9.1
297.07654	1.8
305.08057	3.1
312.09937	5.8
323.09125	5.3
324.08313	1.7
327.12473	15.8
337.10764	11.6
338.22266	2.6
339.13464	2.2
355.11749	100.0
355.15521	6.2
355.24979	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1186
Annotation	Sesamin
Peak:m/z	Relative Intensity
51.60743	0.4
52.83929	0.4
63.02402	0.4
77.50071	0.5
85.02923	0.5
91.05466	4.9
102.04720	0.5
103.05497	1.0
105.07092	2.1
108.78819	0.5
109.02901	0.5
109.06558	0.8
115.05532	0.6
117.07021	0.5
118.34284	0.4
119.04935	12.9
122.03698	1.0
124.05219	3.4
125.81776	0.4
130.04184	1.7
131.04900	0.5
133.02867	0.5
133.06540	1.0
135.04488	1.8
137.05983	39.1
143.04955	1.1
145.02888	1.8
145.06560	2.3
147.04405	11.6
149.06013	2.4
150.06738	3.7
151.03905	1.7
151.07558	2.2
152.08380	0.6
157.04028	0.6
158.03635	0.7
159.08173	0.5
161.02382	0.5
161.05980	5.8
161.53381	0.5
162.06799	6.5
163.03889	13.9
164.04533	0.4
171.04451	0.7
173.05951	8.7
173.98444	0.5
175.03889	10.2
175.05273	0.6
175.07509	0.8
177.05515	1.0
179.07036	2.0
180.07848	3.5
185.06038	0.7
186.03125	6.7
188.04797	2.7
189.05458	2.5
189.07010	0.7
191.07133	0.6
193.04961	3.0
201.05466	100.0
203.07005	2.8
205.06531	3.5
206.07166	2.1
207.06529	1.7
213.05388	2.8
217.06396	1.9
218.07205	1.0
219.08090	1.0
221.09482	1.1
222.06770	0.9
231.06430	4.9
233.05986	4.8
234.06778	7.9
235.07481	2.4
237.09047	2.8
245.05923	5.1
246.06732	1.0
247.07478	2.1
248.08032	0.8
249.09109	5.6
250.06314	3.3
251.06895	2.3
259.07498	0.8
261.05319	1.6
262.06238	10.6
263.06940	3.5
264.07654	1.9
265.08612	9.6
266.09308	1.0
272.23404	0.5
273.05405	3.2
274.06073	1.0
276.07697	0.7
277.05786	0.7
277.08609	13.2
277.14008	0.4
278.05597	1.9
278.09116	0.6
279.06433	3.2
279.09348	0.7
280.07126	0.6
282.08759	0.8
289.04819	0.6
290.05707	9.8
291.06476	0.7
292.07230	3.8
293.08041	5.5
294.08710	3.4
295.09503	0.7
305.08044	15.8
307.05829	2.7
307.09525	4.2
309.11032	2.5
322.08197	2.6
323.09003	6.6
324.49100	0.6
325.10941	4.4
337.07126	0.6
337.10620	10.7
339.10300	1.9
355.11554	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28271	0.4
62.71552	0.4
69.07058	0.4
80.38289	0.4
80.61883	0.4
113.06002	0.5
116.98595	0.5
121.02927	0.5
151.07547	0.6
175.07571	0.5
187.07498	0.6
192.55707	0.5
201.05537	0.5
282.06958	0.7
290.94864	0.5
296.09131	0.7
297.09494	2.5
305.11578	0.5
307.07980	1.8
311.10974	9.1
311.13995	0.6
321.09622	0.9
322.10187	3.7
323.11060	1.1
324.08557	10.0
325.08972	93.5
339.10498	5.7
339.94910	0.6
340.11313	76.1
355.13651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34745	0.5
65.73669	0.6
67.11757	0.6
98.97583	0.8
112.36888	0.6
122.28844	0.6
137.06039	0.5
151.07631	0.7
154.12331	2.6
160.55554	0.7
162.85210	0.6
168.13863	1.1
171.14886	1.4
198.42230	0.6
296.09030	0.9
297.09436	3.0
311.10959	7.7
322.10162	3.3
323.11102	2.6
324.08652	10.6
325.08966	88.5
339.10797	4.3
340.05219	0.9
340.11319	67.2
355.13632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26908	3.7
51.56372	3.1
52.52088	3.3
53.03955	4.6
57.03434	16.0
59.04967	4.3
62.06434	3.7
64.00184	3.5
69.03438	56.1
71.01331	3.9
71.04983	9.3
81.03413	20.5
85.02884	21.1
97.02892	68.5
99.04458	9.1
127.03885	16.9
136.05231	6.0
137.92261	4.3
148.05138	5.4
149.06030	4.7
151.03949	4.6
151.07541	61.8
159.08090	5.8
166.06230	9.1
167.07040	16.4
168.07823	5.9
175.07578	6.4
176.08310	6.6
178.06331	4.6
179.07045	46.6
180.07846	7.6
181.08577	100.0
191.07008	5.9
192.07823	26.2
193.08467	7.0
195.10196	17.8
196.07315	19.8
204.07802	8.3
206.05740	8.2
207.10161	20.6
208.07271	7.5
211.09615	61.5
221.08139	52.9
223.09642	25.6
231.10173	5.3
235.09660	26.2
242.09537	5.4
247.09682	17.9
259.09747	6.5
273.11072	7.0
293.06329	39.6
305.11636	5.1
321.05890	40.5
322.06555	27.6
337.05392	6.8
337.08899	51.8
337.12708	12.7
355.10034	40.9
355.13916	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1532
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
61.82941	0.5
67.25953	0.6
91.05445	1.3
105.07021	5.9
109.06505	0.7
112.84864	0.7
115.05431	1.1
119.05008	0.7
121.06448	0.8
128.06252	1.0
129.06989	24.4
131.04916	1.0
131.08527	1.3
132.46365	0.7
133.06497	7.3
136.05165	1.5
137.05984	5.6
138.06650	0.9
141.07007	0.9
144.05676	3.0
144.74722	0.6
145.06459	1.0
148.05234	0.9
149.05907	0.7
149.83481	0.7
151.07535	2.7
154.06259	2.6
155.04903	5.9
156.05704	1.3
159.08041	21.5
160.08916	0.6
161.05969	13.7
161.09613	1.5
165.05444	1.2
166.06255	15.0
167.07027	1.3
167.45671	0.7
168.32448	0.7
169.06512	1.1
169.08572	1.4
172.05244	0.8
172.33310	0.7
175.07469	2.6
177.05411	1.2
179.07048	0.7
181.08577	29.6
187.07529	48.5
189.09036	0.9
201.05396	1.3
205.08533	0.7
217.23509	0.9
219.07947	2.4
220.08786	1.0
221.09665	4.0
231.07988	1.5
233.09593	1.3
234.06703	0.8
237.08997	2.4
245.05960	0.8
247.07472	1.4
248.08249	2.7
249.09036	7.5
260.08273	1.0
261.09109	3.8
262.09839	1.5
263.10709	5.9
264.11383	8.9
265.08530	6.6
267.10153	0.8
275.07114	0.9
276.07831	2.4
277.08585	9.6
278.09360	1.7
279.10132	1.3
280.10938	3.4
281.11761	6.4
291.10074	4.3
292.10867	9.4
293.08060	8.3
293.11679	9.1
294.08771	1.3
295.13272	18.1
296.11456	0.7
297.11307	3.6
307.09396	3.3
308.10266	4.7
309.11063	25.1
311.13593	9.5
323.12802	25.6
324.13602	22.1
325.10889	16.5
338.12653	1.1
339.13120	20.9
340.13678	17.7
355.15646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1534
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.06215	1.0
57.54244	1.1
69.07066	1.5
72.22433	1.2
80.03712	1.4
93.07045	1.2
105.07090	3.7
129.06987	18.6
133.06477	7.6
137.05988	5.1
148.05023	1.5
154.06256	1.6
154.12263	13.1
154.15698	1.3
155.04916	3.0
159.08086	12.2
161.05974	15.9
161.09602	2.0
166.06206	10.4
167.06993	1.8
171.14891	6.0
172.05165	1.6
175.07518	2.9
181.08585	18.9
181.94119	1.3
187.07527	34.1
191.07019	1.7
201.05472	5.6
201.48691	1.2
219.07907	1.8
233.09631	2.0
234.06575	1.9
235.07564	2.1
247.07451	1.8
248.08411	1.5
249.09106	10.2
261.09045	1.8
262.09729	1.7
263.10648	2.8
264.07816	1.5
264.11435	7.2
265.08588	2.5
277.08603	6.9
281.11737	2.1
290.05695	1.5
291.09720	5.5
292.10867	7.7
293.08075	8.1
293.11679	5.2
295.13324	17.8
297.11600	1.7
305.08142	1.8
307.09464	1.8
308.10217	5.7
309.11121	19.4
310.13492	2.0
311.13834	9.0
319.23526	1.4
323.09262	2.0
323.12711	27.4
324.13611	20.9
325.10938	12.9
337.10803	2.6
339.13147	19.7
340.13596	19.2
355.11874	3.9
355.15573	100.0
355.25916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.95831	2.9
55.01875	4.8
58.04168	3.1
61.51674	3.1
61.87735	2.9
73.91425	3.5
75.56188	2.8
80.38158	3.4
82.18576	3.1
92.77253	3.2
105.07021	6.1
106.81788	3.7
121.02892	5.2
124.66101	4.2
129.07005	29.5
131.08545	4.7
133.06505	13.4
136.05272	3.7
137.05968	4.9
151.07564	18.5
155.04927	5.3
159.08035	23.3
159.77686	3.4
161.05965	26.4
166.06271	8.6
175.07594	6.3
181.08621	43.3
187.07538	65.8
193.08603	4.0
201.05502	8.2
235.07515	4.3
249.09056	17.1
252.07751	7.4
263.07074	5.4
263.10730	14.4
264.11520	12.2
265.08597	7.7
267.10052	4.4
277.08621	14.8
280.07498	5.3
290.94952	4.6
292.10959	16.3
293.08295	5.2
293.11600	7.9
294.08801	7.1
295.09879	7.5
295.13297	26.3
297.11240	4.7
309.11069	36.4
311.13751	8.3
321.05487	4.3
323.09055	17.1
323.12793	24.8
324.13577	32.5
325.10934	13.4
339.13150	17.9
340.13647	16.8
355.11386	36.6
355.15668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
50.51283	0.6
56.60729	0.6
91.05470	3.2
105.07041	8.8
115.05431	1.1
121.06528	1.1
122.82840	0.9
128.06244	1.4
129.07001	31.5
129.72597	0.8
131.04973	1.2
131.08562	1.6
133.06485	12.1
134.46327	0.8
136.05179	1.3
137.05969	3.9
141.06976	1.0
143.06046	1.0
144.05708	3.8
145.06470	2.8
147.08182	0.8
148.05138	1.1
151.07526	4.3
154.06245	5.7
155.04948	8.4
156.05699	3.2
157.06465	0.9
159.08058	31.2
161.05963	15.3
161.09593	2.7
163.87593	0.8
165.05449	1.0
166.06267	17.8
167.07068	6.7
169.06438	1.3
169.08574	4.3
169.09988	1.0
172.05180	1.3
175.07564	4.2
179.07034	1.6
181.06952	1.0
181.08592	40.8
187.07539	72.8
189.09109	1.2
193.08701	0.8
194.09389	1.0
195.10204	1.0
201.09116	1.2
203.08517	1.6
219.08037	2.9
221.09572	3.3
231.08064	1.1
232.08876	0.9
233.09589	3.0
234.10524	0.8
235.07516	1.0
237.08998	1.2
247.07570	3.5
248.08302	4.3
249.09065	11.4
250.06102	0.8
251.10847	1.2
260.08206	1.2
261.09158	4.3
262.09827	1.6
263.10651	9.0
264.11450	12.5
265.08612	7.5
265.11356	0.8
265.12122	0.6
266.09445	0.9
275.06952	1.0
276.07751	3.0
276.79562	0.7
277.08624	10.1
278.09329	1.5
279.10199	3.8
280.10901	4.8
281.11661	8.2
289.08591	0.7
291.10043	6.6
292.10886	13.8
293.08063	11.7
293.11716	9.2
294.09082	0.9
295.09988	1.4
295.13263	25.6
297.11206	4.7
307.09604	4.2
307.13132	1.2
308.10400	8.9
309.11218	38.0
316.64481	0.9
321.05994	1.6
323.12790	33.3
324.13538	33.1
325.10718	12.8
337.08835	0.9
340.13019	11.9
355.10660	3.7
355.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.19
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
52.10229	1.4
55.05520	2.9
57.07072	1.7
64.05526	1.3
66.05536	1.4
69.07068	18.2
70.81388	1.4
79.01354	2.1
85.76500	1.6
105.46649	1.9
145.84816	1.6
159.02681	1.6
159.08093	2.5
177.73256	1.5
183.73334	1.8
186.06712	2.1
187.07527	47.0
213.05479	8.1
215.07037	8.0
227.07138	1.8
227.10655	3.3
231.06477	23.7
238.06276	2.1
240.11481	2.2
267.10059	2.1
271.09598	7.4
285.11298	2.5
309.18488	2.1
320.82413	2.1
337.18018	3.2
346.46094	1.8
355.19025	100.0
355.28766	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1902
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
55.05518	8.7
57.03428	1.2
57.07074	3.5
60.02001	0.8
67.05511	19.6
69.06699	1.2
69.07072	29.8
70.00828	0.7
71.08623	1.2
79.05492	5.6
81.07067	28.3
83.08624	11.3
85.06568	1.0
87.78545	0.8
91.05476	3.9
93.07070	9.1
95.08605	24.1
97.06555	1.1
97.10175	5.5
99.08054	1.0
105.07063	3.3
107.08598	6.1
109.10155	15.4
111.11771	1.8
119.08586	3.0
121.10139	8.4
123.11701	7.6
125.09648	0.9
133.10130	5.1
135.11707	4.1
137.13278	1.9
140.92311	0.9
147.11723	2.0
149.13260	5.5
159.08060	3.4
161.13260	3.9
163.14857	4.5
165.16338	1.0
175.14796	3.1
177.94876	0.8
179.17987	1.3
184.42061	1.0
186.06767	1.5
187.07538	52.1
188.08311	1.5
189.16423	1.7
199.07529	2.0
211.07487	1.5
212.08441	1.3
213.05392	6.2
215.07033	5.4
225.09120	4.0
227.07039	5.0
227.10661	4.3
231.06502	24.1
232.07323	1.3
239.06915	0.9
240.11584	1.0
243.06448	1.4
244.07338	0.9
245.08131	3.2
245.22629	16.1
253.08572	4.8
255.10089	1.8
257.08044	4.3
263.23721	19.1
267.10083	1.7
271.09708	7.9
285.11261	1.8
309.18463	0.8
337.18018	4.1
337.27307	12.5
355.19025	100.0
355.28302	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1902
Annotation	Tephrowatsin A
Peak:m/z	Relative Intensity
53.57948	0.8
55.05516	1.4
57.07063	0.8
67.05508	2.3
69.07071	4.8
69.25720	0.8
71.28357	0.8
76.92295	0.7
77.75491	1.0
81.07055	5.2
83.08606	1.0
84.28490	0.9
87.16498	1.0
93.07051	1.4
95.08617	4.2
95.09483	0.8
97.10166	1.2
105.07862	0.9
109.10184	1.9
111.47520	0.9
121.10146	1.7
122.32680	1.0
123.11752	1.3
154.12279	6.1
168.13904	4.1
171.14919	1.5
182.15514	1.0
187.07646	1.2
199.07658	1.5
211.07500	7.4
212.08319	18.7
213.05508	2.2
213.09064	1.0
223.07507	4.6
225.05484	1.0
225.09039	1.8
238.09920	1.3
239.07092	6.1
240.11497	1.2
243.06644	3.5
251.07042	1.5
251.10748	2.0
253.12260	6.3
255.13844	4.9
263.23788	1.9
266.12988	4.1
267.13736	2.0
268.11005	2.2
279.13785	1.7
281.11737	31.8
284.46140	0.9
286.12094	1.2
294.12369	3.6
295.13168	3.6
299.12784	6.2
309.18439	4.9
337.17938	23.5
355.18976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.1
58.06599	8.0
61.02937	1.3
63.72646	1.0
67.05518	11.1
69.03427	7.4
69.07079	2.5
81.03432	7.1
81.07071	10.0
83.04996	12.4
85.02920	5.2
87.04464	2.0
87.54990	1.2
91.05482	2.8
93.07047	7.3
95.04983	7.9
95.08614	31.5
97.02891	1.7
97.06557	1.6
99.04439	2.4
105.07046	3.2
107.04981	2.9
107.08619	2.6
109.06538	1.8
109.10154	17.6
118.62128	1.2
119.04905	1.7
119.08573	8.4
121.06498	3.0
121.10146	5.4
123.11733	2.1
127.03898	6.6
131.08611	1.7
133.02866	15.6
133.06482	1.6
133.10127	6.2
135.04327	1.6
135.11734	2.8
137.06009	9.8
137.09627	74.4
141.65562	1.4
145.02911	2.7
147.04427	2.8
147.11696	1.9
149.05954	2.2
149.09555	1.6
151.03949	1.7
155.90086	1.4
161.02338	21.8
161.05949	2.0
163.03891	36.2
175.03915	5.2
175.07602	1.5
175.14804	13.4
177.05460	1.9
193.04968	35.0
193.15910	21.0
201.05476	22.6
201.09123	1.6
209.15524	1.3
262.06326	1.5
277.08585	1.8
305.08130	1.5
308.09183	2.5
309.09482	9.3
311.11053	7.9
312.12216	1.8
322.10486	5.0
323.11230	9.5
324.11911	5.4
325.08740	1.6
337.09259	14.3
337.12402	3.2
338.13428	5.0
339.10623	6.8
340.07635	5.1
340.11365	26.1
355.09964	37.5
355.13675	100.0
355.21008	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2266
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.86717	1.4
57.07087	3.5
64.70386	1.2
67.05505	1.8
68.95472	1.6
69.07073	8.6
78.46711	1.5
80.74419	1.4
81.07066	6.2
87.10329	1.3
88.23784	1.5
90.46246	1.3
92.58562	1.5
93.07076	1.4
93.60834	1.3
95.08618	6.9
107.08624	1.5
109.10161	2.0
119.08620	3.3
119.37749	1.4
121.06506	18.9
133.10205	1.6
135.08113	1.5
135.11687	1.8
137.09616	5.8
147.09241	1.7
175.07556	11.9
177.12746	100.0
181.13739	1.6
191.10675	98.9
198.81950	1.7
201.05486	2.6
241.88153	1.5
277.93073	1.5
284.26324	1.5
299.16318	18.1
320.66891	1.8
355.19168	3.4
355.22702	40.0
355.26620	3.9
361.00424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04987	1.2
51.86486	1.1
55.05518	6.1
56.05041	9.9
61.03347	1.3
61.12639	1.3
67.05508	11.1
68.10337	1.4
69.07065	7.7
79.05481	2.3
81.07063	10.3
83.08630	3.1
91.05471	1.8
93.07043	6.2
95.08623	10.8
97.06577	1.3
97.10161	7.3
105.07059	2.1
107.08604	3.4
109.10168	11.1
111.11751	3.3
119.08560	2.9
121.10161	5.6
125.09692	2.7
135.11699	1.9
137.09604	6.0
139.11220	2.6
140.10725	36.0
153.13947	2.0
154.12263	100.0
157.13348	18.3
168.13840	71.5
171.14925	39.7
175.81989	1.6
182.15405	22.1
185.16531	19.2
187.11502	1.5
196.16994	8.4
199.18088	2.6
263.23572	2.0
319.23849	8.4
320.22223	2.9
337.24756	26.0
338.23416	6.7
355.18240	2.8
355.25818	48.9
378.67426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.5
56.05048	2.8
67.05503	15.2
68.94014	1.8
69.07063	8.3
73.24337	1.6
79.05497	8.4
81.07063	24.3
83.08630	9.6
85.06552	3.5
91.05467	14.4
93.07051	17.6
95.04982	2.8
95.08622	18.9
97.06526	3.8
97.10165	5.0
105.07035	9.6
107.04958	4.8
107.08585	18.8
109.10161	11.5
111.08128	2.9
117.07006	8.5
119.08600	15.9
121.06536	4.3
121.10152	17.9
123.08103	4.0
123.11698	4.9
125.09638	4.9
131.08611	14.1
133.10127	23.7
135.08063	10.1
135.11684	11.3
137.06003	2.3
137.09622	4.3
145.10152	17.4
147.08069	2.1
147.11667	17.0
149.09615	16.8
149.13261	4.8
150.55193	2.4
151.11209	2.6
154.12335	2.7
157.10144	4.8
159.11674	16.1
161.09624	3.0
161.13264	3.9
163.11201	20.5
167.15456	2.7
168.13835	100.0
169.10074	3.4
171.11691	3.2
173.13275	13.0
177.12683	4.5
185.16496	27.3
191.14117	2.4
201.05415	3.4
215.17920	3.2
229.19472	7.7
239.17982	14.1
247.20593	10.9
257.18958	17.3
274.21716	11.5
275.20044	80.1
291.24261	2.3
292.22714	26.2
302.21143	2.6
303.54535	2.3
309.25369	99.6
319.23755	22.4
320.22174	2.7
323.09207	2.5
327.12405	2.2
337.10907	2.4
337.24835	73.0
338.23157	10.1
355.12155	3.4
355.17249	6.9
355.22363	2.5
355.25964	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
56.05044	7.6
58.35957	1.5
59.31747	1.6
67.05501	3.6
68.80684	1.7
69.07069	10.7
79.05479	1.7
80.71017	1.8
81.07070	9.7
83.08636	4.4
91.05472	3.1
93.07048	7.7
95.08598	7.5
97.06495	2.1
97.10191	3.7
105.07046	2.2
109.10153	15.1
111.08083	2.4
119.08588	3.0
121.10165	3.6
125.09656	2.3
133.17723	2.2
137.05992	3.0
137.09641	4.1
138.12741	1.7
139.11185	3.2
140.10693	12.1
140.62222	1.8
147.11700	1.9
151.03928	2.0
153.13864	3.1
154.12271	100.0
157.13353	7.7
168.13875	7.9
171.14929	38.1
182.15405	56.4
184.13350	3.0
199.18071	15.5
235.07635	2.3
249.09201	1.8
295.09769	2.5
309.25385	3.9
319.23853	8.1
337.24960	25.7
338.23453	3.8
339.13922	1.9
355.11517	18.8
355.16653	7.1
355.21881	3.8
355.25946	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.263
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
55.05518	5.4
57.07066	5.0
60.12886	2.0
60.43744	2.2
64.49814	2.1
67.05508	23.3
69.07069	100.0
69.64251	2.0
70.15727	2.1
70.69048	1.7
70.84563	2.4
71.08651	2.9
79.05497	13.5
81.07062	68.4
83.05000	3.5
83.08627	9.8
91.05458	4.5
93.07042	22.5
95.08606	47.9
97.06544	2.7
97.10162	5.4
105.07044	15.0
107.08595	29.1
108.75861	2.3
109.10159	46.9
119.08546	17.1
121.10155	27.6
122.10905	12.5
123.11700	37.3
129.07072	2.7
131.08557	18.0
131.31281	2.1
133.10126	9.9
135.11656	4.9
137.05972	3.2
145.06444	2.2
145.10130	11.7
147.08064	4.6
147.11649	4.8
151.07625	8.6
157.10083	4.8
159.11691	12.2
161.09616	3.8
161.13269	3.3
163.07553	4.6
165.09135	4.5
167.14276	4.1
173.13283	4.1
175.07465	3.1
175.14822	2.6
177.09100	2.5
177.12732	9.1
185.13281	4.9
187.14807	4.1
191.10654	15.2
199.14786	3.2
231.13713	3.5
285.18430	2.4
287.19983	9.9
307.26279	11.3
324.28888	27.2
337.25061	2.9
355.19110	2.9
355.22162	3.3
355.26227	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03460	5.5
57.07076	9.5
58.66094	3.1
67.05504	85.4
67.09435	4.2
68.05833	26.1
69.07059	9.3
71.04993	4.5
79.05488	42.8
80.05833	20.6
81.07066	93.5
82.07384	44.6
83.07735	9.9
83.08619	19.6
91.05480	19.8
92.05825	9.9
93.07038	77.5
94.07397	36.4
95.07724	6.2
95.08604	95.8
96.08949	39.5
97.06552	4.5
97.09270	5.8
103.09531	4.1
105.07053	17.8
106.07369	5.1
107.08595	44.3
108.08930	37.8
109.09319	8.6
109.10159	26.5
110.10490	19.0
117.07029	5.2
119.08577	20.4
120.08884	6.5
121.10140	45.6
122.09710	4.2
122.10439	36.9
123.10877	5.1
123.11691	7.6
131.08548	20.9
132.08920	19.2
135.11697	25.4
136.12019	20.4
137.12395	7.6
145.10138	16.8
146.10474	7.0
149.13292	19.8
150.13582	17.0
160.11998	4.8
161.13419	5.0
163.14835	8.8
164.15166	8.9
173.13226	6.6
175.13948	4.8
187.14790	6.7
212.94629	4.1
223.59859	4.3
241.50377	4.0
243.21172	17.0
244.21414	8.6
245.21742	35.6
249.34119	4.3
261.22079	39.6
262.22424	36.0
263.22763	100.0
265.24725	4.7
337.26373	18.5
355.27536	72.0
372.15509	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03460	5.5
57.07076	9.5
58.66094	3.1
67.05504	85.4
67.09435	4.2
68.05833	26.1
69.07059	9.3
71.04993	4.5
79.05488	42.8
80.05833	20.6
81.07066	93.5
82.07384	44.6
83.07735	9.9
83.08619	19.6
91.05480	19.8
92.05825	9.9
93.07038	77.5
94.07397	36.4
95.07724	6.2
95.08604	95.8
96.08949	39.5
97.06552	4.5
97.09270	5.8
103.09531	4.1
105.07053	17.8
106.07369	5.1
107.08595	44.3
108.08930	37.8
109.09319	8.6
109.10159	26.5
110.10490	19.0
117.07029	5.2
119.08577	20.4
120.08884	6.5
121.10140	45.6
122.09710	4.2
122.10439	36.9
123.10877	5.1
123.11691	7.6
131.08548	20.9
132.08920	19.2
135.11697	25.4
136.12019	20.4
137.12395	7.6
145.10138	16.8
146.10474	7.0
149.13292	19.8
150.13582	17.0
160.11998	4.8
161.13419	5.0
163.14835	8.8
164.15166	8.9
173.13226	6.6
175.13948	4.8
187.14790	6.7
212.94629	4.1
223.59859	4.3
241.50377	4.0
243.21172	17.0
244.21414	8.6
245.21742	35.6
249.34119	4.3
261.22079	39.6
262.22424	36.0
263.22763	100.0
265.24725	4.7
337.26373	18.5
355.27536	72.0
372.15509	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87022	1.8
55.05520	21.1
57.03440	5.5
57.07085	19.3
60.29509	1.7
66.55921	2.0
67.05179	3.8
67.05509	78.0
67.97226	1.9
69.07067	35.6
70.29599	2.2
71.08620	10.8
79.05502	19.9
81.07062	100.0
82.07415	3.3
83.04987	2.6
83.08639	26.6
85.06546	2.7
91.05491	15.6
93.07032	34.7
95.04953	3.3
95.08001	3.3
95.08606	95.6
96.08950	2.7
97.06530	10.8
97.10166	21.8
99.08069	2.9
100.44556	2.6
105.07033	17.7
107.08588	27.9
109.10156	52.3
111.08135	2.5
119.08576	27.1
120.68092	2.4
121.10142	32.4
123.08064	2.0
123.11690	26.2
125.09651	4.4
127.11221	2.8
131.08640	2.2
133.10139	24.9
135.11671	17.2
136.12012	2.2
137.09598	3.1
137.13264	11.1
139.11124	3.0
145.10075	2.2
147.11688	18.6
149.13226	14.1
151.14847	2.8
155.14297	3.2
159.11636	2.5
161.13234	16.2
163.03900	13.2
163.14812	8.6
165.16322	2.7
175.14784	9.5
179.17896	4.3
195.95126	2.3
203.17989	2.6
231.11888	2.7
245.22653	40.1
263.23679	64.8
265.25168	3.7
322.65189	2.4
332.79419	2.5
337.27377	43.1
355.18546	9.8
355.23001	3.6
355.28494	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76807	1.2
53.00329	1.3
55.05519	20.0
57.03431	7.0
57.07082	17.1
65.58288	1.5
67.05509	73.1
69.07072	34.7
71.04964	1.6
71.08622	10.3
79.05506	21.4
79.09538	1.3
81.07063	100.0
82.84106	1.5
83.04969	2.5
83.08624	31.1
85.10211	4.9
91.05460	16.3
93.07047	32.8
95.08607	89.5
97.06540	13.4
97.10160	24.6
99.08118	2.8
103.76500	1.6
105.07027	14.0
107.08614	23.0
108.01050	1.8
109.10150	54.5
111.08073	3.2
111.11719	7.2
119.08553	14.8
121.10143	30.1
123.08052	1.6
123.11732	28.8
129.05505	2.3
133.10139	23.0
133.76964	1.8
135.11685	17.2
137.13217	12.5
147.11719	12.7
149.13226	13.9
151.14850	2.5
155.14310	2.2
161.13213	18.8
163.14804	10.7
165.16457	4.1
175.14853	13.6
177.16406	2.8
179.17899	7.5
189.16385	6.2
245.22635	60.4
247.24472	1.7
263.23691	59.1
265.25330	3.3
281.24750	3.8
288.82916	1.8
293.88696	2.1
337.27283	30.6
355.29428	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.90271	1.2
53.58416	1.4
54.80001	1.5
55.05526	17.5
57.03439	12.4
57.07088	35.6
61.16218	1.3
62.00891	1.7
67.05516	37.3
69.07072	29.1
71.08636	40.5
79.05509	6.4
81.07065	56.7
81.31738	1.6
83.08627	31.0
85.06572	2.2
85.10188	14.1
88.00836	1.7
88.04002	8.3
89.80412	1.7
91.05472	2.5
93.07053	13.2
95.08604	57.1
95.09182	1.9
97.06562	3.0
97.10184	20.8
97.34477	1.8
105.07008	2.8
107.08596	8.5
107.49715	1.8
109.10178	29.0
111.08051	2.3
111.11743	7.2
119.08607	7.6
121.10139	13.9
123.11730	9.5
127.78499	1.6
133.10155	10.5
135.11720	8.1
137.09656	1.7
137.13283	6.5
141.12788	3.8
147.11682	3.7
149.13261	2.7
155.14311	6.8
161.13245	3.5
163.03841	1.9
163.14830	2.7
183.13820	2.4
235.24239	1.8
239.38829	2.0
245.22623	14.2
263.23679	16.2
273.17090	2.8
281.24786	3.8
299.25885	8.9
309.19180	2.1
337.27356	6.6
355.28482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
50.33655	2.0
55.05523	19.4
57.03448	5.7
57.07079	23.3
60.71567	2.6
65.65295	2.4
65.89182	2.4
67.05514	45.2
69.07076	40.9
71.08629	24.0
76.33695	2.7
79.05482	12.6
81.07065	73.3
83.08627	35.9
85.10178	5.4
85.73726	2.5
91.05467	12.9
93.07043	20.9
93.35651	2.4
95.08611	80.7
97.06555	3.2
97.10161	29.1
105.06996	3.3
106.59601	3.2
107.08598	14.6
109.10151	44.0
111.08075	5.1
111.11697	3.1
119.08568	6.7
121.10130	15.4
123.08107	2.9
123.11675	22.0
133.10141	18.3
135.11681	5.4
137.13280	5.3
139.07593	4.6
141.12779	2.9
147.11655	11.2
147.47287	3.0
149.13274	5.1
155.14275	3.9
161.13228	11.5
163.14818	6.4
165.16357	3.6
168.13771	3.7
182.15323	3.1
189.16380	3.4
200.23761	37.4
245.22607	25.8
255.38776	2.9
258.07022	2.7
263.23688	33.3
307.26440	3.5
310.31030	5.8
318.91980	2.8
324.28915	21.4
337.27432	10.2
338.30676	5.0
355.28375	100.0
355.33109	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	25.2
57.03447	4.2
57.07072	4.7
59.76148	3.7
60.04534	4.7
67.05511	62.6
69.07081	48.9
71.08635	5.3
76.73698	4.6
79.05498	17.3
81.07066	89.8
83.08633	35.1
91.05492	19.5
93.07037	40.4
95.08605	100.0
97.06525	8.3
97.10185	24.2
101.15590	3.9
105.07033	18.0
107.08618	30.6
109.10168	71.0
119.08606	17.8
121.10134	29.4
123.11704	24.5
133.10104	22.6
135.11714	11.0
137.13287	9.5
147.11679	17.3
149.13304	9.5
154.12280	7.4
161.13298	17.2
163.14819	10.1
168.13823	18.6
175.14853	6.7
189.16325	6.4
245.22653	52.9
263.23734	74.3
269.19907	4.9
279.91644	4.5
291.12616	5.9
302.04010	4.5
337.27502	36.6
355.29086	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.21299	3.4
55.05517	8.9
57.07074	6.8
59.06132	15.6
60.05660	10.5
60.08171	9.5
67.05514	62.3
69.07076	31.5
77.68730	3.9
79.05494	10.7
80.75822	4.3
81.07065	87.0
83.08610	30.8
91.05477	10.3
93.07055	35.5
93.39436	3.8
95.08607	100.0
97.06493	9.4
97.10175	27.2
105.07043	6.4
107.08607	18.6
109.10174	58.5
119.08586	8.1
121.10135	37.9
123.11685	30.7
126.32586	4.7
133.10103	23.1
135.11694	20.0
137.13222	5.4
147.11716	21.3
149.13272	21.5
151.14836	4.5
154.12247	4.7
161.13251	23.7
163.14830	17.9
165.16394	5.6
168.13771	5.3
175.14821	8.0
177.16322	4.7
189.16470	6.5
245.22604	58.0
263.23721	80.6
337.27634	34.2
355.28909	18.3
373.07840	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.6
57.03434	7.5
57.07071	16.4
58.98188	3.0
59.82549	2.9
67.05506	83.3
69.07081	46.0
70.09335	3.4
71.08625	5.8
79.05486	9.0
81.07053	100.0
83.08624	31.9
91.05479	7.7
93.07038	22.2
95.08598	97.7
97.06540	4.9
97.10152	25.0
99.08138	4.6
100.45512	3.5
103.66578	3.3
105.07019	5.7
107.08602	24.0
109.10153	48.6
111.11718	7.9
119.08588	6.9
121.10132	25.6
123.11677	29.0
126.99037	4.0
133.10118	25.0
135.11711	18.4
137.13220	5.1
147.11682	16.6
149.13239	8.3
151.14850	6.2
161.13280	15.1
163.14796	8.4
165.16438	4.0
175.14757	5.1
179.17923	5.5
189.16394	3.9
210.48685	4.0
239.73662	4.3
245.22659	40.5
263.23697	64.0
281.65384	3.7
337.27307	41.8
350.89862	4.0
355.16370	7.4
355.28552	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.20447	2.7
53.20689	2.7
54.74978	2.8
55.05521	23.1
55.44839	3.2
57.03437	5.4
57.07084	29.8
57.54166	2.5
58.06598	6.8
67.05511	65.2
69.07076	41.1
71.08627	7.4
79.05488	14.3
81.07060	100.0
83.08624	28.8
85.10168	5.0
91.05463	5.9
93.07051	19.2
95.08000	4.4
95.08611	86.3
95.10246	3.0
97.06539	5.6
97.10170	20.7
99.08124	4.1
105.07035	12.4
107.08578	22.9
109.10178	52.8
111.11676	6.4
111.97095	3.4
116.52507	2.8
119.08588	15.1
120.17393	3.1
121.10123	33.2
123.11727	25.1
127.11140	4.6
133.10156	17.9
135.11717	15.3
137.13239	5.4
141.12874	3.5
147.11617	6.6
149.13275	17.5
151.14897	4.9
152.67030	3.2
161.13245	14.9
163.14822	7.3
165.16339	5.7
175.14856	12.4
245.22667	52.3
257.08072	18.0
263.23734	62.6
280.25031	3.4
337.14291	6.2
337.27383	28.5
355.15366	10.2
355.18982	6.1
355.28473	38.9
355.32397	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42509	4.1
55.05513	28.5
57.07071	21.7
59.06136	17.3
60.05654	21.7
62.89515	3.7
66.45135	3.9
67.05176	7.3
67.05509	99.8
69.07063	29.8
71.08636	6.6
79.05494	21.2
81.07067	93.0
81.07513	8.4
83.04988	5.2
83.08633	45.2
87.59115	4.5
90.04397	5.9
91.05481	10.1
93.07042	27.1
95.08610	100.0
97.06512	11.0
97.10177	25.4
105.07057	19.7
107.08599	30.7
109.10152	61.6
119.08580	24.7
121.10140	40.9
123.11711	27.1
133.10126	25.4
135.11671	23.1
137.13280	8.7
147.11725	19.5
149.13274	10.8
149.18642	4.8
153.12793	5.5
161.13231	22.3
161.52606	4.9
163.14862	5.8
175.14803	6.3
191.29059	5.5
216.70035	5.1
245.22643	64.4
262.75699	4.8
263.23676	65.1
265.25046	5.7
287.01813	5.0
337.14767	7.5
337.27344	38.8
355.28659	7.7
377.76907	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.47633	1.2
51.26817	1.2
53.88808	1.1
55.05518	22.3
57.03442	3.0
57.07079	14.3
61.39006	1.2
67.05511	74.0
69.07072	35.7
71.08643	7.0
79.05495	21.7
81.07063	100.0
83.04977	1.4
83.08619	29.8
85.06556	2.2
85.10188	2.2
90.05106	1.4
91.05013	1.4
91.05461	12.0
93.07031	34.9
93.69982	1.5
95.08606	94.3
97.06524	10.4
97.10160	23.6
99.08087	8.3
105.07056	10.7
107.08596	27.0
109.10155	59.5
111.08086	6.6
111.11682	5.3
119.08571	17.3
121.10131	37.7
123.11699	25.7
125.09627	1.8
129.05447	3.0
133.10118	26.6
135.11690	23.3
137.09634	6.2
137.13289	7.4
147.11671	16.5
149.13243	15.9
151.11223	1.8
151.14801	5.8
154.12273	2.1
159.11743	1.8
161.13229	14.6
163.14783	18.7
165.16396	8.1
168.13867	2.0
175.14799	14.6
179.17943	6.6
189.16418	6.0
245.22624	60.8
249.26369	1.6
263.23679	82.8
265.25223	2.6
268.92169	1.8
270.91437	1.6
281.24649	3.0
310.16092	1.6
337.23965	2.1
337.27423	36.5
355.28491	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15287	2.9
55.05513	21.9
57.03445	4.4
57.07076	7.5
57.19250	3.0
65.69631	3.6
67.05510	62.2
69.07080	38.4
71.08597	7.5
73.90590	3.2
79.05488	20.8
81.07059	89.0
83.08606	30.1
85.10265	4.9
91.05482	21.9
93.07042	28.3
95.08609	100.0
97.06518	16.2
97.10172	20.4
105.07036	16.5
107.08605	41.5
109.10149	46.8
111.08047	4.1
111.11766	4.0
112.46828	3.8
119.08579	20.6
121.10146	35.7
123.11681	31.3
126.97941	3.6
133.10168	30.3
135.11691	17.2
137.13298	7.8
147.11668	7.8
147.13495	4.4
149.13347	4.6
161.13185	6.8
163.14807	15.7
165.16290	3.8
168.13869	6.4
175.14874	7.7
179.17998	4.3
245.22641	44.5
263.23672	64.6
337.27539	42.0
355.15201	23.7
355.28278	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45180	2.8
55.05511	19.5
57.03447	5.5
57.07076	16.3
57.92460	3.8
67.05511	65.8
69.07085	30.5
71.08643	6.8
77.67963	3.5
79.05499	9.5
81.07062	100.0
83.08612	30.7
91.05495	7.0
93.07050	35.3
95.08092	4.5
95.08622	83.6
97.06525	8.8
97.10181	26.3
105.07043	16.4
107.08595	31.0
109.06528	6.9
109.10155	55.6
111.08081	5.5
119.08572	19.0
120.36328	3.9
121.10143	31.6
123.11715	29.6
133.10178	17.0
135.11710	26.2
137.13277	17.9
145.10155	4.7
147.11714	20.5
149.13272	19.2
158.36075	3.3
161.13292	17.7
161.36325	3.7
163.14867	15.1
165.16328	6.3
175.14816	18.6
178.80190	4.3
189.16570	4.7
213.12593	5.0
245.22636	56.8
263.23691	76.6
314.21967	24.2
337.27371	40.5
355.28802	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62904	5.0
55.05515	22.0
57.07079	13.8
67.05506	51.5
69.07069	36.3
74.85684	6.0
76.04012	28.2
79.05493	24.0
81.07059	76.4
83.08622	35.7
86.06091	10.3
91.05470	7.2
92.62613	6.6
93.07031	30.0
95.08603	100.0
95.51721	5.4
97.10146	13.4
107.08601	26.0
109.10139	43.2
119.08583	12.9
121.10134	24.1
123.11711	12.3
133.10107	14.3
135.11676	8.4
147.11658	8.6
149.13312	7.4
151.14873	6.8
161.13255	8.3
161.60268	7.6
174.82616	6.1
175.14726	7.1
216.09956	6.5
245.22641	27.9
263.23648	32.4
314.26837	9.9
337.27789	31.1
355.28369	69.0
355.33765	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.49301	1.5
51.06689	1.4
54.54914	1.3
55.05515	18.8
56.80904	1.5
57.03441	4.0
57.07079	20.8
60.95414	1.8
67.05508	79.0
69.07076	38.2
71.05008	2.2
71.08620	11.0
78.59940	1.7
79.05507	25.2
81.07062	100.0
82.59288	1.7
83.04959	2.4
83.06473	1.9
83.08624	32.2
85.10184	3.4
91.05488	19.5
92.21522	2.2
93.07046	30.6
95.04994	1.8
95.08601	91.7
97.06521	11.5
97.10178	24.3
99.08111	2.3
105.07045	14.7
107.08589	23.9
109.10156	53.4
111.08112	7.3
111.11741	4.4
119.08571	20.0
121.10121	33.3
123.11676	21.2
125.09578	2.2
131.08479	1.8
133.10126	28.8
135.11691	19.8
137.13208	6.8
141.12730	4.0
147.11722	16.4
149.13274	13.7
151.14856	2.6
155.14279	3.6
161.13257	17.3
163.14822	11.2
165.16348	3.4
175.14835	9.2
177.16371	2.7
179.17928	8.0
187.90068	2.9
189.16307	2.5
245.22624	68.2
247.24071	3.4
263.23676	65.5
265.25403	2.8
337.27402	35.1
355.18604	8.9
355.28168	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.16259	2.5
52.73051	3.0
55.05511	17.3
57.07085	21.0
62.40290	3.0
66.91096	3.0
67.05511	64.2
69.07073	34.0
71.08637	24.1
79.05495	19.3
79.65923	3.3
81.07058	84.1
83.08615	28.6
83.52754	3.1
84.98624	3.0
91.05465	6.8
93.07040	28.4
95.08607	100.0
97.06506	3.5
97.10178	15.0
105.07026	19.2
107.08614	32.5
109.10155	53.6
111.11732	4.9
112.34853	3.4
119.08583	25.8
121.10129	32.8
123.11707	25.3
133.10158	18.9
135.11754	8.0
137.13295	5.9
141.12756	4.3
147.11653	14.8
149.13264	8.6
161.13182	12.5
163.14864	6.2
175.14842	7.2
189.16287	6.1
240.49586	3.7
245.22691	53.3
258.07065	3.3
262.22427	4.7
263.23703	46.7
280.19675	3.8
332.81897	3.5
337.27451	27.2
355.19128	4.2
355.28571	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
54.38097	5.5
55.05508	22.0
57.03423	5.6
57.07079	37.3
59.79373	5.2
60.44681	4.2
64.67533	5.4
67.05511	45.9
69.07061	49.1
71.08617	10.9
72.80006	5.0
73.93118	5.9
79.05502	22.3
81.07065	82.3
83.08612	42.1
91.05470	7.5
93.07024	26.7
95.08620	78.2
96.18842	5.2
97.10148	22.6
102.14810	5.1
105.07021	7.6
107.08577	22.6
109.10165	63.3
118.70616	6.7
119.08575	9.8
121.10143	25.0
123.11723	27.2
133.10100	11.4
135.11696	13.5
136.99789	5.7
147.11754	7.2
148.87419	7.1
149.13254	14.4
152.84808	6.1
154.12206	7.1
161.13245	12.1
163.14799	13.2
165.16365	7.7
168.13815	24.2
189.16440	7.2
218.93192	5.9
245.22534	43.3
263.23691	69.6
314.07611	5.7
314.65167	7.3
337.27466	26.8
337.42645	6.8
355.14026	9.8
355.28183	100.0
355.32489	38.2
372.74332	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67578	2.3
55.05508	11.6
61.20359	2.5
62.33329	2.4
63.38902	2.3
67.05508	20.0
69.07068	14.4
79.05487	3.2
81.07059	57.6
83.08626	15.0
85.06567	3.8
91.05501	5.5
93.07040	16.0
95.08605	56.5
97.06530	4.6
97.10172	15.4
98.97561	15.7
105.07018	3.1
107.08610	17.5
109.10172	28.0
110.09673	5.8
111.08060	4.7
115.71712	2.9
116.98642	12.1
118.54223	3.1
118.73092	3.0
119.08601	6.0
120.86800	2.6
121.10159	17.9
123.11705	12.4
131.08578	4.0
132.50999	3.0
133.10172	6.3
135.11711	11.6
139.07567	5.7
140.10754	7.3
145.10143	3.2
147.11687	4.5
149.13313	4.4
154.12257	6.5
156.10144	6.7
161.13217	5.4
163.03996	3.0
163.14804	13.5
168.13837	3.1
171.14952	3.4
174.05508	12.7
175.05811	7.2
175.14711	4.6
190.15829	3.8
226.18021	4.4
241.39996	3.1
274.25394	16.7
275.23688	12.1
277.25049	3.1
290.94785	17.5
292.26324	4.0
294.28027	5.1
302.24591	3.0
303.23135	19.4
320.25693	6.8
321.24127	4.1
327.10791	26.7
337.25031	3.9
338.26794	80.2
339.13440	6.7
340.14621	3.5
355.09933	21.5
355.13696	16.5
355.17352	10.8
355.29636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
55.29028	1.2
57.06828	1.6
57.07082	31.2
59.06995	1.1
63.09237	1.1
67.05494	6.8
69.07056	8.9
71.08636	28.4
78.26788	1.2
79.05498	9.1
81.07069	9.8
83.08618	7.9
85.10181	12.3
93.07026	2.0
95.08598	5.1
97.10183	9.7
107.08594	19.1
109.10155	5.9
121.10214	1.6
123.11714	1.5
124.10376	2.6
124.11218	43.6
125.09618	8.5
132.03955	1.3
135.08051	6.3
142.12271	2.7
152.10696	14.6
154.12242	6.4
168.13817	2.8
170.11745	64.2
171.06345	1.4
172.20660	2.3
179.51080	1.6
184.20601	2.5
186.22168	56.4
187.07576	1.4
223.74344	1.3
225.08949	1.4
231.06581	1.9
232.62701	1.3
310.30981	7.1
338.26477	2.3
338.30527	40.5
355.18982	18.5
355.28983	5.8
355.33139	100.0
363.13950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	1.4
58.06594	1.1
58.61873	1.2
65.90587	1.2
67.05489	1.4
71.08627	1.6
75.60425	1.1
95.08594	1.9
100.04312	1.3
107.08523	1.2
138.56686	1.5
219.64417	1.6
229.06076	5.4
235.69597	1.4
239.51244	1.3
282.10263	26.1
284.08194	2.3
310.09744	100.0
321.24060	1.5
328.10620	12.8
338.27164	1.9
356.10352	67.8
356.26572	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47805	0.9
64.47002	0.9
67.69430	0.9
83.43502	0.9
90.43626	0.9
117.90430	0.8
149.05978	4.2
165.01877	8.6
174.05525	2.1
175.05975	1.0
176.07007	1.6
178.07518	1.0
189.07790	7.1
190.08281	6.9
191.08423	5.6
206.11710	1.2
253.07697	2.1
270.10416	1.9
278.08078	1.2
280.08984	1.4
281.07150	3.8
282.10257	1.2
298.09930	1.4
299.88370	1.2
300.11441	1.9
310.09927	5.4
311.08456	1.3
326.10208	8.4
327.10373	9.1
328.10815	100.0
337.15634	1.1
338.09244	17.8
339.26877	1.0
356.10327	75.9
356.15137	7.4
356.27856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31605	0.5
65.03940	2.2
73.71571	0.4
82.04155	0.5
86.17249	0.4
93.03387	1.1
95.01341	0.6
109.35071	0.5
110.03668	4.1
111.04533	1.4
112.04793	0.9
125.05995	13.8
126.06329	8.8
127.06453	4.6
150.07732	0.8
153.05470	13.3
154.05785	10.5
155.05962	6.5
160.48199	0.5
174.05441	3.4
175.05882	2.7
176.06137	1.9
190.04916	0.5
218.25311	0.5
267.07819	0.9
294.06790	1.8
295.07367	0.8
297.05240	0.9
298.06052	2.1
310.07245	3.3
311.07373	7.1
312.07629	37.0
324.07724	2.0
326.05524	2.0
328.10754	1.1
341.08026	0.8
356.10297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79892	0.5
58.06604	5.7
70.97771	0.6
91.05468	3.3
105.07004	0.7
108.67174	0.8
109.75391	0.7
112.11559	0.6
115.09025	0.7
119.04898	5.0
120.88824	0.6
121.06525	0.7
135.04372	0.7
149.05978	35.9
151.03879	1.4
159.14082	0.7
162.09158	1.3
163.07524	0.9
167.03391	1.2
176.07027	0.9
177.05530	3.1
177.07880	3.9
188.07057	8.5
189.07831	8.1
190.08633	8.5
204.06541	1.1
206.08141	24.9
221.09404	1.0
223.07588	0.7
223.18573	0.8
234.07568	1.2
249.08951	0.9
251.07059	0.9
255.06538	1.2
267.06570	2.7
279.06592	1.0
280.09729	1.1
289.08539	0.9
295.05972	1.6
296.09235	2.7
297.07388	1.3
307.06207	1.5
307.09735	3.2
310.10754	1.1
320.12622	1.3
324.08731	0.7
325.06766	0.7
338.10144	2.8
338.13846	11.9
341.08661	6.4
356.11206	100.0
356.14993	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35854	1.2
58.06609	14.1
61.58064	1.1
70.06554	1.2
110.41598	1.6
137.05978	2.3
138.06232	1.6
144.59195	1.3
151.07553	1.7
162.62166	1.4
172.52142	1.5
190.08626	2.9
192.10210	39.1
195.04369	1.5
201.05559	2.2
202.05725	6.7
206.11771	22.2
223.07605	2.7
227.07031	7.7
248.06967	9.8
249.07858	21.5
251.07010	7.2
263.06149	1.5
265.08453	1.5
266.05582	1.6
268.07260	5.5
269.07993	1.6
277.07285	10.6
278.08713	1.5
279.06543	6.8
279.10089	3.0
280.06870	1.4
283.09589	3.2
291.05627	2.0
292.06116	1.7
293.06830	3.2
294.07748	7.1
296.06845	7.7
299.14966	1.4
305.06757	7.1
306.07654	39.5
307.08405	16.5
308.05591	6.8
311.09134	80.7
311.12448	2.9
314.01630	1.7
322.07104	48.6
323.07852	25.5
324.08676	7.3
324.12222	1.7
338.10220	100.0
340.10251	2.3
341.16318	2.0
345.66074	1.7
346.77679	1.4
356.11288	52.8
356.14810	33.5
356.18582	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Papraine
Peak:m/z	Relative Intensity
51.29708	0.4
58.06590	2.5
59.35123	0.4
63.11386	0.4
69.72274	0.5
91.05462	3.5
119.04921	3.6
123.04470	0.6
135.04378	2.0
137.05923	0.6
149.02257	0.5
149.05969	27.6
151.03899	1.9
164.04219	0.7
167.03339	2.1
175.06210	0.6
176.07079	0.6
176.27019	0.5
177.05461	0.9
177.07806	2.8
188.07092	2.6
189.07796	0.8
190.08586	5.8
200.32813	0.5
204.06514	1.0
206.08093	7.8
227.07028	0.9
255.06433	1.3
265.04922	0.8
267.06543	1.3
269.08081	0.6
271.06293	0.6
277.05002	0.8
279.06458	2.4
294.07556	1.0
295.05942	3.2
297.07425	2.6
307.05917	3.5
309.09924	0.7
310.10345	3.4
312.12128	1.1
316.80902	0.5
323.07678	1.0
328.11581	0.8
338.10083	1.2
338.13760	1.0
340.11630	1.0
341.08487	0.7
341.12268	3.1
356.11118	100.0
356.14688	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29708	0.4
58.06590	2.5
59.35123	0.4
63.11386	0.4
69.72274	0.5
91.05462	3.5
119.04921	3.6
123.04470	0.6
135.04378	2.0
137.05923	0.6
149.02257	0.5
149.05969	27.6
151.03899	1.9
164.04219	0.7
167.03339	2.1
175.06210	0.6
176.07079	0.6
176.27019	0.5
177.05461	0.9
177.07806	2.8
188.07092	2.6
189.07796	0.8
190.08586	5.8
200.32813	0.5
204.06514	1.0
206.08093	7.8
227.07028	0.9
255.06433	1.3
265.04922	0.8
267.06543	1.3
269.08081	0.6
271.06293	0.6
277.05002	0.8
279.06458	2.4
294.07556	1.0
295.05942	3.2
297.07425	2.6
307.05917	3.5
309.09924	0.7
310.10345	3.4
312.12128	1.1
316.80902	0.5
323.07678	1.0
328.11581	0.8
338.10083	1.2
338.13760	1.0
340.11630	1.0
341.08487	0.7
341.12268	3.1
356.11118	100.0
356.14688	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42350	0.5
58.06612	37.3
60.98377	0.6
61.21338	0.6
74.24515	0.8
148.07553	7.2
149.05965	0.9
161.05965	1.2
176.07057	1.1
177.07893	3.9
178.08727	4.7
188.07057	3.1
189.07884	2.6
190.08730	0.9
192.10161	7.9
195.08144	0.9
206.08191	0.9
206.11763	5.3
223.07559	3.4
224.08441	0.7
227.06964	5.3
228.07381	0.7
239.09308	4.4
251.06966	8.5
268.07254	3.9
269.07968	1.4
271.08609	0.7
275.07080	1.2
279.06534	7.2
281.08011	0.7
282.07745	2.6
283.09659	2.9
293.10657	1.0
294.11255	1.2
296.06342	7.6
296.09686	7.8
297.10031	0.9
310.10757	4.9
311.09149	65.9
311.12320	2.2
322.07047	4.3
322.10580	1.8
323.11551	1.2
324.08826	1.0
324.12259	4.1
326.13834	0.9
338.10489	6.8
338.13641	6.7
341.08908	3.7
341.12607	1.4
356.11209	100.0
356.14966	60.0
356.18631	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82294	0.4
58.06601	3.1
60.97180	0.4
72.15081	0.5
77.21967	0.5
91.05476	2.0
99.25219	0.4
119.04941	5.5
123.04416	1.0
126.68427	0.4
130.61200	0.5
135.04410	1.1
137.05962	0.8
142.89626	0.6
149.02271	0.6
149.05981	34.0
151.03923	0.9
162.09042	0.5
167.03366	1.1
175.03870	0.7
176.07047	0.5
177.05461	1.1
177.07852	3.5
178.08609	0.6
188.07013	5.8
189.07820	3.7
190.08635	8.5
204.06535	1.0
206.08121	13.0
227.07187	0.8
237.05507	0.6
249.05351	1.0
251.07008	0.7
255.06479	0.7
267.06573	3.0
269.08014	0.6
279.06549	2.3
281.07996	0.7
285.07599	0.8
295.05963	2.3
295.08795	0.7
297.07581	2.9
307.06003	2.4
307.09259	0.7
309.09692	0.5
310.10583	3.1
311.09213	0.6
312.12338	1.1
323.07813	5.6
325.07025	1.1
338.10178	1.7
338.13870	6.4
341.12402	3.5
356.11179	100.0
356.14935	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75677	0.5
55.05526	0.9
56.94860	0.5
67.20943	0.7
68.84274	0.8
68.99794	12.6
70.62852	0.6
92.20937	1.1
115.03928	88.3
124.62409	0.7
134.96489	0.7
143.03397	100.0
182.78304	0.8
186.35004	0.7
191.98520	0.6
196.36391	0.7
198.05273	0.8
208.32695	0.8
240.06569	15.5
250.19559	0.6
264.06482	1.1
266.08066	3.0
280.06180	0.9
281.06805	5.8
294.07584	2.9
295.08530	0.9
296.09119	3.3
324.08636	35.1
356.11206	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19846	0.3
62.73465	0.3
64.46796	0.3
77.38377	0.3
88.52029	0.3
96.01072	0.3
97.42516	0.3
112.46295	0.3
123.12045	0.3
123.90965	0.3
156.00684	0.3
164.60835	0.3
190.08713	1.2
191.08958	1.1
192.10324	0.6
201.15048	0.3
202.04959	2.9
206.11745	6.7
237.07803	0.4
248.07053	8.3
249.07822	19.3
251.05788	1.2
252.06570	0.3
263.05737	4.2
264.06564	0.5
276.06516	2.2
277.07336	10.5
278.08130	1.1
280.06189	1.5
291.05255	1.3
292.06039	3.9
293.06815	3.7
294.07669	5.8
299.32639	0.3
305.06812	8.7
306.07605	32.8
307.08356	15.0
308.05527	4.2
322.07083	50.6
323.07864	25.0
324.14871	0.5
326.12943	0.6
338.10205	100.0
340.14474	1.3
341.15259	1.1
356.07224	0.6
356.11227	9.9
356.18256	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	6.2
66.17420	0.8
73.03734	0.7
92.15755	0.8
113.38686	0.7
132.93466	0.8
134.87323	0.8
183.85710	0.7
190.08601	1.6
191.74771	0.8
192.10201	20.0
202.05038	1.8
206.11745	3.7
227.07086	1.0
237.07909	1.1
248.06947	7.0
249.07806	18.9
251.06989	1.6
263.05725	1.4
276.06421	0.9
277.07388	10.2
279.06491	3.7
279.09665	0.9
280.05887	1.0
292.06039	5.4
293.06827	3.1
294.07578	6.4
296.06793	4.3
296.10178	2.4
305.06784	9.5
306.07568	33.4
307.05008	1.5
307.08365	17.1
308.05566	4.7
311.09128	25.6
311.12515	1.4
321.54181	0.8
322.07089	54.1
323.07910	29.1
338.10220	100.0
341.16190	1.2
356.11060	15.0
356.14795	9.8
356.18518	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1125
Annotation	(+/_)-3,4-Dihydrolinaresine
Peak:m/z	Relative Intensity
52.93955	0.6
58.06606	0.8
66.58289	0.7
67.05505	0.8
67.19881	0.9
78.34892	0.7
91.05495	1.0
92.37131	0.7
111.67863	0.7
116.04958	3.9
117.15403	0.6
118.06541	0.9
126.09132	6.2
134.06046	0.9
144.04471	10.4
144.10217	1.5
146.06030	2.9
147.04402	10.4
149.05989	1.3
162.05432	1.6
174.05496	100.0
176.07036	10.5
181.04961	3.7
192.06541	1.0
266.54605	0.8
267.08917	1.8
282.07745	1.2
294.07645	1.5
296.09180	4.9
310.07059	1.2
312.08646	2.9
313.09317	1.3
323.08081	1.3
324.08560	15.0
325.09561	4.8
328.11765	5.4
338.10425	0.8
341.08829	0.9
356.11258	86.3
356.14645	3.8
356.24060	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03882	0.6
58.06615	6.2
61.25583	0.6
72.22034	0.7
80.33107	0.7
101.48579	0.7
141.07686	0.9
165.37648	0.7
177.07849	1.5
190.08694	2.9
191.09351	1.8
192.10191	92.8
202.04959	1.3
206.11752	91.5
219.53487	0.7
223.07497	1.5
227.06966	1.9
240.80420	0.8
248.06996	5.4
249.07756	12.8
250.06070	0.9
251.06993	6.4
263.05710	0.9
268.07172	1.9
269.07990	1.1
277.07288	6.0
279.06415	3.6
279.09888	0.8
280.06146	1.1
280.09558	3.7
283.09552	1.0
291.05402	1.2
292.05847	3.2
293.06842	1.6
294.07581	3.3
296.06616	3.4
296.09464	5.4
305.06784	8.0
306.07565	20.6
307.08435	9.4
308.05423	3.1
310.10712	1.6
311.09100	39.3
319.10974	0.8
322.07065	30.8
323.07883	18.0
324.08652	7.0
324.15903	0.9
338.10205	60.0
340.10159	0.9
341.15869	1.2
356.11209	63.1
356.14822	13.8
356.18475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59554	0.8
52.75060	0.8
57.47097	0.8
57.62786	0.8
58.06595	1.3
65.03966	3.0
78.41261	0.9
80.17348	1.0
89.30656	1.2
93.03422	2.1
102.67775	1.0
108.91383	1.0
110.03657	8.0
111.04433	5.3
125.05979	24.8
129.68277	1.0
153.05460	29.2
174.05528	4.5
176.07042	5.9
184.91451	1.2
190.08621	1.8
192.06473	1.7
267.09052	1.3
279.10034	1.2
281.07803	1.2
291.80096	1.1
294.07462	2.3
295.08038	2.1
296.09875	1.3
297.06024	1.5
298.06894	2.2
308.09329	1.1
309.31857	1.0
310.06970	1.5
312.08630	50.6
319.08450	1.5
324.08554	1.4
326.06589	1.5
328.11694	1.6
334.10892	1.3
338.09372	9.7
356.11264	100.0
356.14481	4.1
378.09326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35854	1.2
58.06609	14.1
61.58064	1.1
70.06554	1.2
110.41598	1.6
137.05978	2.3
138.06232	1.6
144.59195	1.3
151.07553	1.7
162.62166	1.4
172.52142	1.5
190.08626	2.9
192.10210	39.1
195.04369	1.5
201.05559	2.2
202.05725	6.7
206.11771	22.2
223.07605	2.7
227.07031	7.7
248.06967	9.8
249.07858	21.5
251.07010	7.2
263.06149	1.5
265.08453	1.5
266.05582	1.6
268.07260	5.5
269.07993	1.6
277.07285	10.6
278.08713	1.5
279.06543	6.8
279.10089	3.0
280.06870	1.4
283.09589	3.2
291.05627	2.0
292.06116	1.7
293.06830	3.2
294.07748	7.1
296.06845	7.7
299.14966	1.4
305.06757	7.1
306.07654	39.5
307.08405	16.5
308.05591	6.8
311.09134	80.7
311.12448	2.9
314.01630	1.7
322.07104	48.6
323.07852	25.5
324.08676	7.3
324.12222	1.7
338.10220	100.0
340.10251	2.3
341.16318	2.0
345.66074	1.7
346.77679	1.4
356.11288	52.8
356.14810	33.5
356.18582	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1127
Annotation	Papraine
Peak:m/z	Relative Intensity
71.28355	1.7
75.53832	1.5
92.21661	1.7
102.47278	1.5
106.06490	1.4
110.04507	1.5
121.02905	12.6
133.10211	1.4
137.05917	3.0
146.72937	1.7
150.17282	1.5
163.07526	7.0
165.01866	3.3
174.05475	3.4
175.06268	15.5
190.08632	100.0
191.03375	21.2
192.10161	8.0
236.09172	15.8
267.09167	2.5
286.59439	1.7
292.48300	2.0
296.09210	19.5
313.09421	15.4
326.10373	2.4
328.11786	18.1
338.10074	7.1
338.23120	2.5
356.11237	97.2
356.14496	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.112
Annotation	Papraine
Peak:m/z	Relative Intensity
53.79892	0.5
58.06604	5.7
70.97771	0.6
91.05468	3.3
105.07004	0.7
108.67174	0.8
109.75391	0.7
112.11559	0.6
115.09025	0.7
119.04898	5.0
120.88824	0.6
121.06525	0.7
135.04372	0.7
149.05978	35.9
151.03879	1.4
159.14082	0.7
162.09158	1.3
163.07524	0.9
167.03391	1.2
176.07027	0.9
177.05530	3.1
177.07880	3.9
188.07057	8.5
189.07831	8.1
190.08633	8.5
204.06541	1.1
206.08141	24.9
221.09404	1.0
223.07588	0.7
223.18573	0.8
234.07568	1.2
249.08951	0.9
251.07059	0.9
255.06538	1.2
267.06570	2.7
279.06592	1.0
280.09729	1.1
289.08539	0.9
295.05972	1.6
296.09235	2.7
297.07388	1.3
307.06207	1.5
307.09735	3.2
310.10754	1.1
320.12622	1.3
324.08731	0.7
325.06766	0.7
338.10144	2.8
338.13846	11.9
341.08661	6.4
356.11206	100.0
356.14993	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77697	0.3
58.06614	0.4
67.05492	1.4
69.06145	0.4
81.07051	0.9
95.08591	0.5
109.02854	0.5
110.22105	0.4
122.03674	3.1
165.05469	100.0
168.04158	1.5
174.05484	0.6
181.49525	0.4
197.49779	0.4
232.80241	0.4
257.41013	0.5
320.25793	0.6
324.08679	0.4
338.26929	0.9
343.16684	0.4
354.72672	0.5
356.11172	5.7
356.18408	0.5
356.27841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19932	0.5
58.06609	24.5
62.16100	0.5
67.25843	0.6
67.67152	0.6
78.00708	0.6
91.05484	3.3
106.71725	0.6
119.04939	5.4
123.04370	1.3
136.06212	4.5
137.06013	1.0
149.05980	30.6
151.03859	1.1
152.94710	0.7
167.03445	1.2
175.03827	0.7
177.05569	0.9
177.07852	3.7
188.07060	3.7
189.07826	2.4
190.08656	8.7
191.09370	0.9
193.94588	0.7
206.08093	9.6
239.07045	1.3
255.06468	2.7
267.06567	2.7
268.42108	0.8
277.05084	1.3
279.06430	2.6
285.07401	0.7
295.06058	2.4
296.10190	0.9
297.07489	1.3
307.06052	1.1
307.09534	0.8
311.09000	0.7
325.07104	1.6
338.10117	2.8
338.13971	2.6
341.08508	1.2
341.12552	0.9
356.11191	100.0
356.15015	24.6
356.18585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1129
Annotation	Papraine
Peak:m/z	Relative Intensity
61.67847	1.1
72.34098	1.2
80.50969	1.3
86.85627	1.3
130.12254	2.0
151.03862	1.8
151.07556	9.1
152.07991	1.6
156.94025	1.5
174.05655	1.5
178.08688	2.6
181.08476	2.0
184.85448	1.4
187.07579	5.8
188.07930	6.3
190.08597	2.9
191.09404	8.8
197.21178	1.6
206.11827	3.1
215.47531	1.8
252.09995	1.8
253.08675	7.3
257.24576	1.7
268.09656	8.5
270.11316	2.9
279.06372	2.0
281.08139	2.6
282.11496	2.6
285.10098	1.5
296.09326	7.5
296.22330	2.9
298.10898	3.4
310.10837	14.2
313.09491	14.5
323.07874	9.1
324.13300	1.8
325.13870	2.1
327.11118	2.4
328.11768	100.0
338.10229	19.1
338.23370	1.9
338.27362	1.9
341.04556	3.1
356.07288	3.9
356.11319	98.1
356.15515	12.4
356.18951	5.3
356.23694	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19932	0.5
58.06609	24.5
62.16100	0.5
67.25843	0.6
67.67152	0.6
78.00708	0.6
91.05484	3.3
106.71725	0.6
119.04939	5.4
123.04370	1.3
136.06212	4.5
137.06013	1.0
149.05980	30.6
151.03859	1.1
152.94710	0.7
167.03445	1.2
175.03827	0.7
177.05569	0.9
177.07852	3.7
188.07060	3.7
189.07826	2.4
190.08656	8.7
191.09370	0.9
193.94588	0.7
206.08093	9.6
239.07045	1.3
255.06468	2.7
267.06567	2.7
268.42108	0.8
277.05084	1.3
279.06430	2.6
285.07401	0.7
295.06058	2.4
296.10190	0.9
297.07489	1.3
307.06052	1.1
307.09534	0.8
311.09000	0.7
325.07104	1.6
338.10117	2.8
338.13971	2.6
341.08508	1.2
341.12552	0.9
356.11191	100.0
356.15015	24.6
356.18585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19932	0.5
58.06609	24.5
62.16100	0.5
67.25843	0.6
67.67152	0.6
78.00708	0.6
91.05484	3.3
106.71725	0.6
119.04939	5.4
123.04370	1.3
136.06212	4.5
137.06013	1.0
149.05980	30.6
151.03859	1.1
152.94710	0.7
167.03445	1.2
175.03827	0.7
177.05569	0.9
177.07852	3.7
188.07060	3.7
189.07826	2.4
190.08656	8.7
191.09370	0.9
193.94588	0.7
206.08093	9.6
239.07045	1.3
255.06468	2.7
267.06567	2.7
268.42108	0.8
277.05084	1.3
279.06430	2.6
285.07401	0.7
295.06058	2.4
296.10190	0.9
297.07489	1.3
307.06052	1.1
307.09534	0.8
311.09000	0.7
325.07104	1.6
338.10117	2.8
338.13971	2.6
341.08508	1.2
341.12552	0.9
356.11191	100.0
356.15015	24.6
356.18585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05843	0.7
52.30254	0.7
53.49939	0.7
57.03462	0.7
61.62376	0.8
66.52489	0.7
69.03433	1.0
70.06598	1.3
81.03450	1.1
84.95539	0.9
85.02907	4.5
97.02885	4.5
99.04475	1.1
111.04479	1.1
126.05531	1.6
136.06198	1.7
137.05971	2.3
139.99998	0.9
141.01823	1.0
149.06015	1.4
151.07559	1.4
152.03403	2.1
162.05547	1.2
163.06284	1.9
164.07039	14.5
172.07561	0.9
177.03908	1.7
177.07846	0.9
178.08615	15.7
187.46977	0.9
190.08600	11.4
194.04494	5.0
194.08145	22.2
202.07069	17.8
208.09633	1.7
218.08232	1.0
219.09148	0.9
224.07848	2.1
230.56143	0.9
236.09192	4.9
244.09650	4.4
288.08575	1.7
320.11313	35.5
338.12344	97.6
356.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05843	0.7
52.30254	0.7
53.49939	0.7
57.03462	0.7
61.62376	0.8
66.52489	0.7
69.03433	1.0
70.06598	1.3
81.03450	1.1
84.95539	0.9
85.02907	4.5
97.02885	4.5
99.04475	1.1
111.04479	1.1
126.05531	1.6
136.06198	1.7
137.05971	2.3
139.99998	0.9
141.01823	1.0
149.06015	1.4
151.07559	1.4
152.03403	2.1
162.05547	1.2
163.06284	1.9
164.07039	14.5
172.07561	0.9
177.03908	1.7
177.07846	0.9
178.08615	15.7
187.46977	0.9
190.08600	11.4
194.04494	5.0
194.08145	22.2
202.07069	17.8
208.09633	1.7
218.08232	1.0
219.09148	0.9
224.07848	2.1
230.56143	0.9
236.09192	4.9
244.09650	4.4
288.08575	1.7
320.11313	35.5
338.12344	97.6
356.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	6.2
69.65644	2.5
72.56627	2.4
76.81262	2.5
81.03410	3.2
81.07068	4.0
82.63116	2.5
85.02907	4.5
87.03261	4.1
87.04442	4.0
91.05498	19.1
92.93440	2.8
97.02892	4.2
99.04451	4.1
103.05474	12.2
105.07030	4.6
109.02827	2.5
111.04452	17.2
117.05574	3.7
120.08106	49.8
121.06512	3.2
126.05522	14.2
130.06578	34.3
131.04945	13.2
132.08081	28.4
134.09654	3.6
135.04381	2.6
144.08060	13.5
145.02863	3.3
146.03148	3.1
153.06917	3.4
156.08064	12.5
162.09164	15.2
163.03923	43.2
164.04231	57.4
171.08038	6.5
176.07074	4.7
176.10754	2.9
189.03252	2.9
190.08568	3.4
194.08134	3.8
195.88649	3.0
196.07565	4.8
198.09164	13.5
209.84520	2.7
244.09619	5.0
274.10754	12.2
292.11819	66.3
310.12866	18.6
320.11282	37.5
338.12347	100.0
341.08896	47.6
356.10342	9.3
356.14124	34.5
356.17252	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39107	1.0
62.02489	1.1
69.03435	2.0
70.06621	1.7
71.01359	5.3
75.04475	1.7
77.10262	1.3
85.02917	1.7
87.03210	5.7
91.05494	14.9
96.74178	1.5
97.02888	2.7
103.05466	5.7
105.07019	5.6
107.04974	1.9
111.04443	17.2
120.08101	36.9
126.05553	11.5
127.03950	1.6
127.06329	2.1
130.06534	36.8
131.04930	8.0
132.08087	33.7
134.09625	7.8
136.06184	1.9
138.05481	1.2
144.08076	17.9
156.08044	12.9
162.09132	11.0
168.08096	2.7
171.05206	6.3
171.08026	6.8
180.08159	1.6
194.11734	2.8
196.07523	2.4
198.09152	17.5
218.08157	2.3
224.07520	2.3
228.10228	2.1
230.11855	2.3
242.08252	2.8
244.09796	10.7
274.10754	8.0
292.11786	56.3
310.12918	17.4
320.11288	34.6
338.12354	100.0
356.09720	2.9
356.13733	30.3
356.17545	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05843	0.7
52.30254	0.7
53.49939	0.7
57.03462	0.7
61.62376	0.8
66.52489	0.7
69.03433	1.0
70.06598	1.3
81.03450	1.1
84.95539	0.9
85.02907	4.5
97.02885	4.5
99.04475	1.1
111.04479	1.1
126.05531	1.6
136.06198	1.7
137.05971	2.3
139.99998	0.9
141.01823	1.0
149.06015	1.4
151.07559	1.4
152.03403	2.1
162.05547	1.2
163.06284	1.9
164.07039	14.5
172.07561	0.9
177.03908	1.7
177.07846	0.9
178.08615	15.7
187.46977	0.9
190.08600	11.4
194.04494	5.0
194.08145	22.2
202.07069	17.8
208.09633	1.7
218.08232	1.0
219.09148	0.9
224.07848	2.1
230.56143	0.9
236.09192	4.9
244.09650	4.4
288.08575	1.7
320.11313	35.5
338.12344	97.6
356.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1491
Annotation	O-Methylcassythine
Peak:m/z	Relative Intensity
50.99733	0.6
54.23925	0.8
56.18691	0.8
58.06608	4.4
69.71051	0.8
76.01428	0.8
84.08983	0.9
100.02486	0.9
188.67969	1.0
190.08600	1.2
191.09467	1.2
195.07843	1.0
206.11780	11.6
217.32735	0.9
223.07530	5.7
227.07091	7.0
236.04738	1.7
240.07553	1.0
251.06993	12.0
255.10100	1.1
256.39236	0.9
268.07321	6.6
269.08142	1.7
279.06488	10.7
283.09686	2.0
296.06851	14.4
311.09131	100.0
356.07791	1.8
356.14883	39.5
356.18649	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1491
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
54.08477	1.0
56.89749	1.2
57.07174	1.2
58.06609	99.4
80.58579	1.2
99.73909	1.1
100.45618	1.1
110.58540	1.2
111.51418	1.4
149.06003	6.0
155.04044	1.3
162.74495	1.6
164.08308	5.9
165.09094	2.9
176.07126	2.2
179.08435	1.7
188.82552	1.3
192.06572	11.4
207.08119	2.0
236.04694	2.3
237.05399	3.0
251.06952	9.2
252.07780	20.8
253.08470	1.3
279.06516	2.9
283.09628	2.8
296.06772	2.9
297.07623	2.4
308.12775	2.5
311.09140	43.3
315.40350	1.4
338.13815	7.6
356.14929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1494
Annotation	Ser-Lys-OH
Peak:m/z	Relative Intensity
54.93666	0.2
56.05031	0.2
58.06608	100.0
63.59929	0.2
67.46513	0.2
78.23008	0.2
91.05499	0.3
93.96468	0.2
94.27179	0.2
119.04967	0.5
149.05975	5.9
162.09129	0.2
167.03412	0.3
177.07954	0.3
188.07095	1.0
189.07945	0.3
190.08673	1.1
206.08145	2.3
221.06010	0.3
237.48569	0.2
247.03868	0.2
251.07162	0.8
270.08923	0.2
279.06604	1.1
283.09805	0.8
285.11185	4.6
290.00015	0.3
295.06100	1.0
299.09494	0.2
307.06079	0.3
310.11020	0.3
311.09201	0.7
338.10229	0.2
338.13947	1.0
356.11249	12.2
356.15091	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1492
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
58.06607	100.0
60.26191	1.1
60.61558	0.8
63.91177	1.0
80.23857	1.1
94.83730	1.0
95.39814	1.0
176.04759	1.2
177.01833	1.5
207.08029	1.2
234.06712	1.2
236.04517	1.1
237.05444	4.3
243.55272	1.1
251.06952	11.2
252.07819	23.0
267.10309	1.7
279.06580	6.1
283.09665	5.4
296.06839	3.9
297.07538	4.3
311.09116	49.9
339.14050	1.4
356.11823	3.5
356.14954	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1491
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
51.43842	0.8
56.89313	0.9
58.06602	2.0
58.79741	0.7
64.86314	0.7
76.39394	0.7
78.52490	0.8
135.04379	0.8
138.01181	0.9
147.04410	0.8
149.05983	14.8
151.07565	4.7
168.38148	0.8
175.06235	1.1
175.26038	0.8
177.05440	3.3
177.07802	1.3
178.08647	1.4
178.86433	0.8
188.07066	35.3
189.07858	33.7
190.08664	9.5
191.09447	1.4
192.10156	1.3
195.08112	1.0
206.08217	17.5
206.11758	70.8
209.06018	0.9
223.07504	1.7
247.07582	4.7
275.07071	11.1
279.10120	3.2
295.09818	1.0
296.10416	1.6
307.09262	1.0
311.09219	1.2
322.10690	1.9
323.11462	4.3
325.10675	1.5
338.13751	6.3
356.14835	100.0
356.18655	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1491
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
54.49804	0.8
58.06608	100.0
62.17339	0.9
70.21547	0.9
73.21484	0.9
120.04469	2.1
125.04764	4.0
138.05537	1.9
144.49414	1.5
163.03871	4.9
164.04265	4.7
222.11292	1.7
232.86192	1.1
240.12363	1.4
285.11188	6.4
296.28436	1.0
356.14868	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1488
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
58.06604	1.2
77.51320	0.6
83.88344	0.6
90.37363	0.7
119.79044	0.8
121.06468	2.7
131.04930	0.8
149.05949	7.5
150.59956	0.8
161.06026	1.0
162.09146	2.6
163.03859	0.9
163.07550	3.0
167.07028	1.1
177.05507	3.4
188.07056	15.7
189.07840	13.7
190.08630	4.1
206.08112	35.1
221.09732	1.2
237.09023	1.2
267.10141	1.1
277.08554	2.8
279.10080	1.0
287.61508	0.7
289.08682	3.3
307.09692	6.7
312.12482	0.8
320.12888	1.3
323.07788	3.3
338.13821	22.7
356.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1491
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
51.95044	0.5
57.49311	0.5
58.06609	100.0
64.12647	0.5
64.14638	0.5
86.27252	0.5
116.91019	0.6
118.78078	0.5
126.83701	0.6
159.71359	0.6
166.07849	0.6
178.07761	0.7
179.08546	0.8
181.27397	0.6
190.04944	6.9
207.08142	2.3
218.04404	0.6
220.05219	0.9
221.06001	1.3
223.07487	1.0
234.06776	1.2
235.07419	0.7
236.04727	1.2
237.05458	3.8
237.09052	1.1
251.07007	7.5
252.07805	19.8
267.10071	0.9
268.07349	0.9
279.06458	5.3
283.09616	4.2
296.06821	1.1
297.07602	3.5
311.09131	34.9
315.23300	1.0
338.06454	0.8
356.11127	4.1
356.14954	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
58.06318	0.4
58.06604	7.0
61.77917	0.3
78.05547	0.4
86.66768	0.5
91.24207	0.4
96.60384	0.4
136.16115	0.4
147.04314	0.4
149.05988	6.3
151.07542	2.4
169.06367	0.4
174.15625	0.4
177.05429	1.3
177.07813	0.5
178.08627	0.5
188.07053	15.1
189.07846	14.8
190.08635	4.1
191.09378	1.6
191.25740	0.4
192.10155	4.6
195.04347	1.4
195.08035	1.6
199.07472	0.8
206.08145	6.4
206.11745	3.9
215.37532	0.4
221.05969	0.9
223.07532	6.1
225.05479	0.4
225.08897	0.5
227.07010	7.2
235.07446	0.7
236.04648	1.9
237.05406	0.4
240.07886	0.7
247.07481	1.6
250.06174	0.5
251.07010	14.2
253.04919	1.5
253.08554	1.4
255.10185	0.4
260.78522	0.4
265.08560	1.6
268.07285	7.7
269.08063	3.6
271.09637	0.6
275.06995	6.1
277.08481	0.7
279.06494	10.1
283.09637	2.3
295.09647	0.7
296.06757	13.3
296.09970	0.5
308.12979	0.6
311.09119	100.0
322.10788	0.9
323.11435	1.8
325.10632	0.5
338.13870	3.2
340.11270	0.6
356.14902	86.1
356.18326	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1492
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
51.03054	0.1
52.59356	0.1
54.51817	0.1
58.06552	11.5
58.06874	0.9
68.30928	0.1
68.99765	0.1
72.08109	0.5
73.95699	0.1
137.05859	0.1
148.07516	0.3
149.05992	1.1
151.07481	0.2
153.06973	0.1
155.08516	0.2
165.06882	0.2
167.04852	0.2
167.08487	0.6
169.06439	0.8
177.05443	0.2
178.08627	0.2
179.08424	0.1
181.06453	0.3
183.08070	0.3
188.07080	2.0
189.07861	2.8
190.08604	0.6
192.10214	1.9
193.06366	0.3
195.04446	1.4
195.08020	1.0
199.07593	1.2
205.06456	0.3
206.08099	1.3
206.11755	1.3
207.08018	0.3
208.05246	0.8
209.06027	0.2
210.06795	0.2
219.04340	0.3
221.05965	0.8
222.06735	0.3
223.07527	5.3
225.09195	1.0
227.07002	7.0
235.07391	0.2
236.04628	1.5
237.05472	0.4
237.09111	0.2
239.06941	0.6
239.09200	0.3
240.07883	1.2
241.08446	0.1
243.06543	0.2
247.07567	0.2
249.05498	0.2
250.06261	1.0
251.07021	11.1
252.07782	0.2
253.04926	1.2
253.08592	1.7
254.05571	0.1
255.10233	1.1
264.04178	0.5
265.08499	0.3
267.06445	0.2
268.07281	6.6
269.08063	3.0
271.09534	0.7
275.07034	1.2
278.05527	0.2
279.06528	9.8
280.07312	0.2
281.04431	0.7
281.07950	0.2
283.09662	2.5
285.07535	0.2
296.06763	11.3
297.07458	0.4
310.10681	0.2
311.09134	100.0
312.11380	0.2
322.07321	0.2
322.10672	0.2
323.11462	0.8
324.12360	0.9
326.09915	0.1
338.10190	0.5
338.13882	0.9
340.11008	0.2
341.11948	0.6
356.11377	3.8
356.14938	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
54.30958	0.4
57.00577	0.5
57.08285	0.5
58.06591	3.4
96.11002	0.5
97.61230	0.5
137.66475	0.5
139.23189	0.6
145.71275	0.7
261.04938	0.6
266.07916	0.9
267.17883	0.6
270.07660	1.3
281.10382	3.6
283.08359	2.2
294.07776	1.0
296.12772	13.2
298.07590	1.0
298.10678	6.9
308.09155	2.6
309.09818	0.7
323.11346	1.3
324.12250	3.5
326.10217	43.6
341.12561	100.0
356.10916	11.3
356.14890	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
58.06602	2.8
74.98663	0.2
91.05466	1.0
92.20924	0.3
94.69855	0.2
109.06519	0.4
119.04942	0.5
121.06497	0.6
135.04401	1.4
135.42802	0.3
137.05951	1.0
142.56346	0.3
147.04333	0.4
149.05969	11.6
151.07532	5.8
161.26965	0.2
162.09206	0.3
165.05441	1.1
165.06717	0.3
165.09094	0.3
167.07039	0.6
173.44141	0.2
175.06262	0.3
176.07048	0.6
177.05487	2.2
177.07832	1.5
178.08543	1.8
187.04057	0.3
188.07053	23.8
189.07832	23.8
190.08620	11.2
191.09390	7.0
192.10182	11.5
195.08005	2.1
204.10205	1.3
206.08284	10.9
206.11749	88.8
207.08060	0.3
208.09645	1.3
217.06480	0.5
219.94377	0.3
223.07567	1.4
235.07465	1.2
237.05280	0.4
237.09041	0.5
247.07588	3.7
248.08282	0.3
249.09221	0.9
251.06953	0.5
253.08650	0.4
255.10112	0.3
263.07007	1.0
264.07727	0.5
265.08511	1.0
267.10052	1.4
269.08057	1.4
275.07007	8.8
277.08487	1.9
279.07034	0.4
279.10141	1.1
281.08182	0.3
293.07901	0.6
295.09698	1.1
296.06683	1.0
296.10089	0.4
297.11172	1.1
307.09442	0.5
307.80261	0.3
308.09235	0.3
308.12625	0.5
311.09183	5.5
311.12546	0.6
312.11398	0.6
322.10577	2.1
323.11505	3.1
325.10617	1.4
325.14026	0.3
326.09311	0.3
336.12418	0.3
338.13846	5.4
340.11127	1.7
341.11966	1.3
341.16095	0.5
356.14798	100.0
356.18625	44.4
361.30771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
51.39673	0.5
58.06603	6.4
69.47537	0.6
70.06566	0.5
89.38602	0.5
98.86409	0.6
121.06493	2.3
133.06525	0.8
135.04405	0.6
149.05986	8.6
161.05968	1.1
162.09100	2.5
163.07550	1.4
173.67786	0.6
177.05489	4.3
178.08635	0.9
188.07048	12.4
189.07843	12.8
190.08627	3.8
206.08113	32.0
221.09666	0.9
237.09154	0.9
249.09001	0.9
251.07124	0.7
253.08675	0.7
259.07574	0.8
267.10052	1.2
268.09543	0.8
277.08530	1.3
279.10199	2.7
281.08084	0.7
289.08484	3.1
296.05798	0.9
296.09265	0.8
307.09491	5.0
311.09140	0.8
312.12247	1.0
320.12650	1.2
338.09933	1.1
338.13843	21.0
341.08292	1.0
341.12170	1.0
356.11185	7.8
356.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.149
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
58.06606	100.0
62.40694	0.5
95.79280	0.6
105.31269	0.6
121.06509	0.6
146.31407	0.7
170.84737	0.9
174.05482	1.0
178.07721	0.9
179.08580	0.7
190.04970	0.7
207.08055	1.3
209.09540	1.1
220.05209	1.1
227.08138	1.4
234.06764	0.7
235.07660	0.8
236.63686	0.8
237.05437	2.9
250.26251	0.7
251.06975	8.0
252.07762	18.9
267.10098	1.0
268.07114	1.2
279.06619	4.6
283.09720	5.6
296.06781	1.4
297.07574	3.0
311.09125	39.0
338.11194	0.8
356.11707	3.2
356.14935	62.2
357.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.149
Annotation	Crebanine N-oxide
Peak:m/z	Relative Intensity
51.59074	0.6
52.97104	0.6
58.06613	6.5
59.93486	0.6
99.73806	0.7
165.05423	0.8
168.33331	0.9
169.06557	0.9
185.29535	0.9
190.08594	1.0
191.09402	1.5
195.08151	1.2
199.07661	1.0
206.11768	21.8
223.07614	5.9
227.07098	6.0
236.04739	1.5
251.06966	11.6
253.04945	0.9
253.08676	1.1
255.10478	1.1
268.07361	6.3
269.08099	3.7
279.06509	9.6
279.09552	1.3
283.09625	1.7
296.06812	12.7
311.09140	100.0
328.74414	0.8
329.01505	0.8
356.14825	40.1
356.18683	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1488
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
53.70435	0.3
58.06601	3.8
61.51842	0.3
69.89194	0.3
71.82557	0.3
107.82965	0.4
149.06000	1.7
151.07550	1.7
165.05472	0.6
167.04861	0.4
188.07065	4.7
189.07817	5.3
190.08620	4.4
191.09427	2.9
192.10139	2.6
195.04416	1.9
195.08076	0.7
199.07527	0.8
206.08099	2.3
206.11755	11.8
221.06015	1.6
223.07539	5.0
225.09000	0.8
227.07001	7.4
233.06032	0.4
236.04718	1.2
237.08817	0.3
240.07808	1.3
247.07756	0.6
250.06076	0.7
251.06999	10.1
253.04869	1.3
253.08603	1.5
259.04504	0.4
265.08554	0.6
268.07260	7.2
269.08005	3.4
275.07004	0.8
277.08652	0.7
279.06479	10.5
280.07211	0.4
281.04407	0.4
283.09686	2.1
296.06769	12.4
296.09985	0.7
297.07559	0.4
304.58081	0.3
311.09119	100.0
323.11624	0.5
338.13785	2.1
356.14871	64.7
356.18527	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	100.0
62.40694	0.5
95.79280	0.6
105.31269	0.6
121.06509	0.6
146.31407	0.7
170.84737	0.9
174.05482	1.0
178.07721	0.9
179.08580	0.7
190.04970	0.7
207.08055	1.3
209.09540	1.1
220.05209	1.1
227.08138	1.4
234.06764	0.7
235.07660	0.8
236.63686	0.8
237.05437	2.9
250.26251	0.7
251.06975	8.0
252.07762	18.9
267.10098	1.0
268.07114	1.2
279.06619	4.6
283.09720	5.6
296.06781	1.4
297.07574	3.0
311.09125	39.0
338.11194	0.8
356.11707	3.2
356.14935	62.2
357.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10473	0.4
74.62135	0.4
79.09756	0.5
107.86310	0.5
127.97696	0.5
134.46350	0.5
147.96342	0.5
161.17508	0.5
161.87115	0.5
165.09038	0.5
190.08595	1.0
191.09380	2.2
192.10214	4.6
204.10190	2.1
206.11757	100.0
213.55548	0.5
251.06937	0.5
284.09192	1.0
296.05533	1.1
311.09097	6.7
328.08102	0.7
356.07941	3.6
356.14963	2.7
356.18549	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1852
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
58.06597	1.2
59.59602	0.5
63.43797	0.6
108.54375	0.6
151.07555	1.0
153.97513	0.6
177.07841	3.3
183.17604	0.6
188.07053	0.7
189.07809	0.9
190.08641	5.9
191.09425	3.1
192.10191	100.0
206.11766	57.8
235.67809	0.6
251.06990	2.3
268.07269	1.4
269.07877	0.9
275.06915	1.1
279.06519	2.4
296.06931	1.3
311.09140	19.6
338.10098	2.4
341.15915	0.8
356.14709	19.7
356.18573	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1868
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
55.91458	0.1
56.20429	0.2
58.06605	0.2
69.05219	0.1
70.88198	0.1
75.37462	0.1
76.86727	0.1
87.31209	0.2
97.01350	0.2
122.86253	0.2
151.07515	0.3
162.09134	0.2
165.09106	0.4
188.07063	0.3
189.07704	0.2
190.08598	1.6
191.09389	1.7
192.10184	6.3
204.10178	2.2
205.10962	0.2
206.11755	100.0
208.86037	0.2
248.32658	0.2
294.12296	0.3
310.12091	0.2
317.36563	0.2
325.14178	0.2
356.18546	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
79.79050	0.3
101.78056	0.3
129.52873	0.3
151.07568	0.6
175.94223	0.3
177.07730	0.3
180.29912	0.3
190.08635	1.6
191.07892	0.4
191.09337	2.3
192.10187	9.7
204.10181	2.5
205.11075	0.4
206.11760	100.0
227.55356	0.3
233.39857	0.3
264.01425	0.3
294.12238	0.4
311.09189	1.4
320.09335	0.4
356.18567	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1852
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
53.30969	0.4
58.06607	3.0
149.05952	1.7
151.07547	2.0
162.60588	0.4
177.07822	3.7
188.07089	2.6
189.07657	2.3
190.08641	5.8
191.09532	3.2
192.10191	100.0
195.04398	0.5
202.05841	0.5
204.10106	0.7
206.11766	46.0
223.07495	2.4
227.06894	3.3
235.07588	0.4
247.07404	0.6
248.06888	0.5
249.07828	2.1
251.07014	5.8
268.07410	3.9
269.08038	2.0
277.07419	0.9
279.06543	4.8
281.11551	0.4
283.09598	1.8
294.07660	1.6
296.06760	5.5
305.06754	0.8
306.07764	2.8
307.08499	1.0
311.09122	45.2
322.07156	6.2
323.07864	1.8
324.08704	2.0
326.09735	0.6
326.13684	2.2
338.10229	10.5
338.13895	1.5
340.14648	5.3
341.15570	3.9
356.11371	2.3
356.14587	27.8
356.18521	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	Xylopinine
Peak:m/z	Relative Intensity
51.34897	0.4
54.97306	0.5
56.07118	0.4
57.48074	0.5
58.06603	5.1
66.95846	0.5
84.06790	0.5
93.65832	0.5
151.07562	0.6
165.09050	0.5
190.08601	2.0
191.09377	2.8
195.04474	0.7
206.11749	100.0
223.07529	0.6
227.06961	0.7
239.09441	0.8
248.06735	0.7
249.07774	1.2
251.06950	2.7
268.07239	1.0
277.07336	0.6
279.06525	0.9
279.10123	1.1
292.06012	0.6
296.06747	2.3
296.09824	1.3
305.06888	1.2
306.07593	3.4
307.08368	1.3
311.09134	23.8
314.65353	0.6
322.07028	5.6
323.07806	3.4
324.08734	3.0
338.10202	12.8
338.13931	1.1
356.11206	18.0
356.14777	10.3
356.18521	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
52.90636	0.5
55.30655	0.5
55.65527	0.6
58.06587	0.6
78.67465	0.6
145.80708	0.7
151.07571	0.7
154.33054	0.6
162.09236	0.6
173.28288	0.7
190.08653	1.6
191.09372	1.7
192.10204	35.4
204.10219	1.3
206.11760	100.0
217.70157	0.8
295.97519	0.7
311.09006	6.3
338.10260	1.0
341.11557	1.2
356.14603	4.7
356.18524	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1855
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
50.94706	0.4
51.04845	0.3
53.50600	0.4
56.28349	0.4
56.84314	0.4
58.06602	6.9
65.93234	0.4
82.85984	0.4
137.05972	0.5
145.99164	0.4
163.03851	2.4
164.04233	3.4
169.06508	0.5
176.38989	0.4
177.07913	0.8
182.07849	0.4
190.08652	3.2
191.09381	2.4
192.10191	50.1
195.04462	0.7
195.08078	0.5
199.07523	0.8
202.05881	1.0
204.10219	2.0
206.11757	100.0
223.07478	3.2
225.09296	0.6
227.07057	4.8
236.04591	0.6
248.08420	0.5
249.07820	0.6
250.06099	0.7
251.07031	6.9
253.08723	0.7
268.07339	3.2
269.08087	2.0
277.07529	0.6
279.06531	4.8
279.09537	0.7
283.09705	0.9
294.62265	0.5
296.06720	6.6
296.10028	0.9
301.93472	0.5
306.07733	1.9
307.08420	0.8
310.11896	0.5
311.09125	58.3
322.07037	2.2
323.07922	0.8
328.03748	0.8
338.10269	4.8
341.11349	0.7
356.14655	23.9
356.18552	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1852
Annotation	(+)-Tetrahydropalmatine
Peak:m/z	Relative Intensity
55.54186	0.5
58.06604	6.5
68.61559	0.5
77.91937	0.5
81.97542	0.5
84.86230	0.4
116.38941	0.5
149.06033	1.1
151.07631	0.8
182.44785	0.6
188.07120	4.0
189.07858	2.2
190.08624	2.4
191.09412	2.8
192.10240	0.6
204.10173	1.0
206.11769	100.0
208.09567	0.7
235.71832	0.5
245.59702	0.7
248.08188	0.7
275.07047	1.0
279.10272	2.9
296.10440	0.9
311.12717	0.8
338.13681	0.7
341.16098	0.8
356.14703	11.7
356.18573	50.8
375.92236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.185
Annotation	D-TETRAHYDROPALMATINE
Peak:m/z	Relative Intensity
50.36290	0.3
58.06598	0.6
62.56760	0.3
92.21008	0.6
92.21492	0.5
93.86518	0.3
151.00873	0.4
177.07843	3.0
190.08635	2.0
192.10193	100.0
206.11757	1.3
215.09924	0.3
215.94061	0.4
308.76147	0.3
326.13171	1.3
340.14520	6.3
341.15274	4.2
356.18500	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18755	0.7
55.05511	0.9
56.96576	10.5
56.96799	1.0
65.55589	0.9
67.05500	1.4
67.23649	0.9
69.35620	0.9
71.95271	1.1
81.07068	3.8
83.08559	0.9
93.07083	1.3
94.07381	1.3
95.08614	2.1
98.83531	0.9
109.10155	1.1
109.63741	0.9
110.97570	1.4
115.97845	1.1
128.98628	4.1
146.99649	2.0
161.01198	1.5
190.05098	1.7
241.11133	1.4
245.10718	1.4
252.10266	1.1
259.12177	2.1
264.23746	1.2
270.11395	1.5
303.12842	1.4
303.23358	1.3
315.16309	82.7
331.15820	5.2
333.17368	100.0
338.26941	1.1
351.18469	11.2
356.11133	2.1
356.18954	5.0
356.27841	4.4
356.31863	1.6
363.78848	1.2
364.56540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.1
57.07083	1.9
59.06113	2.8
59.06910	1.2
67.05505	3.5
69.07072	2.7
70.50248	1.5
76.42172	1.5
79.05515	1.8
81.07059	6.8
83.08604	1.6
86.37299	1.3
86.75031	1.4
93.01791	1.3
95.08598	6.5
109.10186	2.0
121.10122	1.8
153.72722	1.3
154.12224	2.3
210.40611	1.5
246.22958	2.1
320.25598	100.0
346.49988	1.6
356.11032	4.5
356.15103	2.5
356.18832	2.8
356.23215	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.1
57.07083	1.9
59.06113	2.8
59.06910	1.2
67.05505	3.5
69.07072	2.7
70.50248	1.5
76.42172	1.5
79.05515	1.8
81.07059	6.8
83.08604	1.6
86.37299	1.3
86.75031	1.4
93.01791	1.3
95.08598	6.5
109.10186	2.0
121.10122	1.8
153.72722	1.3
154.12224	2.3
210.40611	1.5
246.22958	2.1
320.25598	100.0
346.49988	1.6
356.11032	4.5
356.15103	2.5
356.18832	2.8
356.23215	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.258
Annotation	Yunnandaphnine D
Peak:m/z	Relative Intensity
51.73525	0.5
58.06615	0.5
65.65095	0.5
66.50925	0.5
89.96400	0.6
134.09604	0.7
174.05481	0.8
209.20700	0.5
246.04927	0.6
310.25278	81.5
322.27353	0.6
338.24637	5.0
356.11249	1.8
356.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61495	3.0
55.05521	4.1
58.06615	3.8
58.50162	3.6
60.22869	3.6
63.80512	3.0
65.84924	3.0
67.05507	29.2
67.71564	3.5
69.07069	6.8
71.08620	6.9
79.05510	5.3
81.03398	3.6
81.07082	27.1
82.06596	4.2
82.07373	5.0
83.08634	15.2
85.06528	3.7
91.05443	3.6
93.07056	14.5
95.08607	21.9
96.08091	5.2
96.08948	3.8
97.10147	17.3
99.82530	3.8
107.08595	9.1
109.10154	25.3
119.08579	4.8
121.10126	4.6
123.11630	6.4
123.89655	4.2
125.09581	7.4
128.14320	32.1
146.29657	3.5
152.14323	6.0
161.13177	4.0
166.15938	53.2
173.11830	4.0
189.07698	4.2
189.11214	4.6
220.16975	7.8
238.18044	47.9
246.22893	6.4
277.21609	4.3
294.24219	7.9
295.22934	4.2
320.25824	8.3
338.26920	40.1
356.27887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.3
60.05649	4.7
62.06941	4.4
63.06738	4.9
67.05524	40.5
69.07082	9.1
79.57179	5.4
81.07056	32.8
82.06568	5.5
83.08630	11.7
92.60757	5.6
93.07036	12.4
94.06551	5.3
95.05006	5.9
95.08585	11.8
96.08137	10.5
97.10167	26.0
102.06791	4.8
107.08604	10.3
108.08111	5.3
109.10157	29.9
110.94256	6.2
119.08620	6.4
121.10188	5.9
123.42970	5.9
128.14368	54.1
152.14336	8.5
166.15933	77.0
173.11644	9.4
238.15881	6.5
238.17905	50.0
261.25620	6.3
294.24197	8.7
310.35248	6.4
320.25476	6.1
338.26877	35.8
356.11163	8.3
356.14905	7.5
356.27914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.5
57.07087	2.6
58.06617	3.9
58.53155	1.7
59.06129	3.8
60.04534	3.0
67.05508	20.2
69.07071	13.5
70.06602	5.0
71.08621	2.1
77.88451	2.1
79.05479	2.8
81.07050	25.9
82.06580	4.8
83.08628	12.1
93.07040	11.7
94.06560	2.4
95.08597	25.7
96.08136	2.5
97.06538	2.5
97.10146	4.3
98.09675	2.2
100.11270	3.6
101.06046	2.1
105.07030	3.3
107.08609	8.6
109.10150	9.0
109.24213	2.1
119.08623	2.2
121.10163	8.9
123.11702	4.2
126.12785	11.6
128.14357	12.2
131.08574	4.3
133.10103	2.9
135.11702	2.2
147.11708	2.5
152.14346	2.6
156.13835	2.3
165.12679	2.4
166.15846	18.5
182.15375	5.4
184.13411	2.1
184.16951	7.9
186.15057	2.8
198.14911	4.8
200.16414	9.6
204.71272	2.3
220.16925	4.0
238.17982	13.8
239.20232	2.5
244.74957	2.2
256.18964	4.0
278.24780	4.3
296.25845	14.3
320.25839	5.1
326.56439	2.8
338.26834	43.4
356.27805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82414	4.7
55.05508	11.9
57.07078	10.9
58.07411	5.8
61.56972	5.2
62.17316	5.9
62.30199	4.8
62.84186	4.8
64.69164	5.2
67.05509	73.4
68.05845	9.7
69.07068	35.5
79.05489	26.8
81.07059	100.0
82.07384	30.5
83.08593	25.9
84.08955	8.4
85.14629	5.4
91.05474	8.4
93.07013	15.1
94.07364	7.7
95.08610	99.9
96.08945	50.4
97.06495	6.9
97.10153	11.9
103.60071	5.8
105.06962	8.5
105.22497	6.3
107.08585	24.2
109.10153	49.6
110.10500	30.3
119.08587	12.1
120.08844	7.0
121.10141	34.3
122.10433	8.8
123.11674	14.3
133.10141	12.4
134.10466	11.0
136.12033	12.4
147.11678	6.7
148.11980	8.8
149.13171	6.4
150.01628	5.7
150.13591	9.1
153.03931	6.0
161.89682	5.5
162.13580	10.1
166.16821	6.3
206.37170	6.0
220.68105	6.0
245.22696	14.1
246.22943	72.4
263.23624	11.5
264.24036	92.7
282.06781	7.0
315.19287	11.5
338.27689	65.9
356.28638	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43456	2.6
55.05514	20.4
57.03444	4.7
57.07074	17.5
58.07456	3.3
67.05508	68.4
68.05833	19.7
69.07059	33.1
70.07400	6.5
71.08627	3.5
79.05498	17.2
79.64203	3.8
81.07060	100.0
82.07415	29.8
83.08624	20.9
86.17408	3.3
89.69217	3.6
91.05486	7.1
93.07035	30.8
94.07376	7.4
95.08609	72.7
96.08942	34.9
97.06522	5.3
97.10166	23.4
98.10445	5.5
103.74995	2.9
105.07021	6.7
106.07348	7.2
107.08595	17.4
108.08916	14.5
109.10151	47.5
110.10490	24.0
111.47640	3.7
119.08566	14.3
120.08974	4.2
121.10150	26.5
122.10480	14.4
123.11694	20.9
124.12030	15.3
133.10127	18.2
134.10477	20.2
135.11652	13.5
136.12035	19.1
137.13257	7.0
138.13617	3.9
138.63193	4.6
147.11688	15.4
148.12042	15.0
149.13301	13.4
150.13589	5.8
151.14835	3.7
161.13286	5.9
162.13591	14.1
163.14833	7.7
164.15160	5.4
165.16417	4.9
175.14879	5.8
176.15086	6.2
180.18205	4.7
190.16655	3.6
227.54353	4.2
245.22797	5.9
246.23015	58.5
263.23505	12.2
264.24045	72.2
266.25348	5.3
282.25150	4.0
320.25604	4.7
321.88916	3.6
324.28964	4.0
338.27637	58.8
356.28571	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93664	2.5
51.80085	2.5
55.01876	4.3
55.05516	5.1
57.07068	19.2
62.48677	3.2
65.23730	2.9
67.05505	27.6
69.07075	46.6
71.04991	4.0
71.08630	18.5
74.06091	4.6
81.07064	43.3
83.08624	14.2
91.05479	6.4
93.07018	7.3
95.08620	33.6
97.06516	4.3
107.08588	7.1
109.10143	27.4
111.11673	3.8
120.06577	6.5
121.10130	13.0
121.20011	3.1
121.69643	3.5
123.11680	14.1
133.10136	19.5
135.11682	13.5
141.12787	6.3
151.11229	7.5
152.14291	3.7
153.12718	6.7
177.09151	11.6
184.16940	3.8
191.32149	2.9
198.14891	12.9
200.16486	47.9
215.16370	4.0
227.12654	3.8
307.26257	37.9
324.28989	100.0
356.14929	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.8
57.07077	10.3
58.06619	3.2
59.05002	2.5
67.05509	4.0
71.08624	13.3
72.08162	100.0
74.46804	2.5
78.01772	2.1
81.07079	3.2
85.10189	2.6
86.06078	44.8
92.21587	3.2
95.08604	3.4
100.07587	4.7
101.06018	24.4
118.07288	2.6
118.08662	58.2
170.66978	2.3
174.05479	11.8
179.31647	2.4
203.53978	2.5
233.15498	2.7
254.73743	2.7
356.11148	12.4
356.14795	7.7
356.31754	23.8
356.35428	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33718	0.8
51.36798	1.0
57.46848	0.7
59.59378	0.9
60.34224	0.8
62.61425	0.9
130.98660	1.0
133.49023	1.0
136.94054	1.7
171.69807	1.0
174.02840	1.2
174.35310	1.1
185.39381	1.0
189.03455	2.2
190.01422	1.2
198.03886	4.2
217.99504	1.1
242.56099	1.0
306.64816	1.3
329.39053	1.1
334.06033	1.8
357.03464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95770	0.6
55.58366	0.7
57.05431	0.6
62.26326	0.6
79.97456	0.9
84.08151	1.2
86.09720	2.9
97.69262	0.8
112.18427	0.8
116.07082	1.7
127.43776	0.7
129.10223	5.0
131.11777	0.8
137.05945	1.1
159.58728	0.9
160.02193	0.8
184.25948	0.7
208.52583	1.0
221.86382	0.7
224.07048	15.7
225.07892	3.7
226.08640	3.4
242.08157	1.1
253.41544	0.9
254.08069	3.5
254.10553	3.6
257.06677	0.9
269.09161	3.1
270.07623	8.2
274.99609	0.8
280.08383	4.3
295.10754	11.6
296.05527	56.9
313.11804	100.0
357.10782	64.7
357.24854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95770	0.6
55.58366	0.7
57.05431	0.6
62.26326	0.6
79.97456	0.9
84.08151	1.2
86.09720	2.9
97.69262	0.8
112.18427	0.8
116.07082	1.7
127.43776	0.7
129.10223	5.0
131.11777	0.8
137.05945	1.1
159.58728	0.9
160.02193	0.8
184.25948	0.7
208.52583	1.0
221.86382	0.7
224.07048	15.7
225.07892	3.7
226.08640	3.4
242.08157	1.1
253.41544	0.9
254.08069	3.5
254.10553	3.6
257.06677	0.9
269.09161	3.1
270.07623	8.2
274.99609	0.8
280.08383	4.3
295.10754	11.6
296.05527	56.9
313.11804	100.0
357.10782	64.7
357.24854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69333	0.7
56.79074	0.7
69.03007	0.9
69.86020	0.9
94.00598	0.9
116.04984	2.0
117.05302	1.1
134.05968	1.9
144.04465	6.9
145.04771	6.5
146.06006	1.3
147.04419	5.9
148.04749	5.3
150.10364	0.9
160.87233	1.0
174.05501	63.1
175.05841	56.4
176.07071	6.6
177.07437	6.4
181.05023	1.4
182.05350	1.1
193.06834	1.6
230.65811	1.0
245.13264	1.1
268.09070	1.4
283.07867	1.0
295.07858	1.6
296.08890	1.5
297.09555	3.6
311.07532	1.8
313.09055	3.6
324.08429	1.2
325.09030	16.9
326.09772	5.6
329.12094	5.6
357.11603	100.0
360.63312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45916	0.8
67.86208	0.8
127.37407	0.9
135.83890	0.8
151.07576	0.9
163.07510	4.9
164.07864	4.3
165.01753	3.6
166.02141	4.4
166.06320	1.1
169.06715	1.0
175.06300	10.9
176.06592	14.3
178.74348	0.8
181.08536	1.0
189.05457	1.1
190.08626	59.0
191.08974	85.1
192.06519	1.6
192.10184	4.7
193.06905	2.1
193.10539	5.9
197.92401	0.9
209.10033	0.9
283.09650	2.0
296.10355	1.2
313.09918	0.9
326.09732	1.8
327.10532	1.7
329.12100	3.8
339.10507	5.8
340.11276	1.8
342.11514	1.1
357.11548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01867	2.6
65.03912	2.4
70.02948	3.4
71.04970	1.8
79.05501	12.1
81.03419	14.5
83.04982	3.8
84.04500	2.9
85.04034	2.6
87.05588	9.6
91.05476	15.4
97.02896	9.6
99.04469	15.5
106.06579	17.3
107.04939	5.7
108.04475	12.7
109.02863	13.7
109.06525	4.0
110.06043	11.6
111.04433	3.7
120.04442	2.9
125.04748	16.0
126.05489	11.4
134.06018	100.0
135.05510	2.7
136.03960	17.5
136.07584	15.9
138.05475	10.5
149.07121	13.0
150.05486	10.7
160.03967	2.5
162.05495	12.0
170.04530	2.4
177.06573	58.5
178.04971	33.3
179.08147	68.6
180.06511	2.6
182.04489	3.7
203.02715	2.4
206.04483	13.7
223.07140	37.8
241.08054	9.1
265.09717	2.8
339.11838	10.2
357.13055	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
72.62384	1.4
91.05510	1.4
118.89893	1.3
127.11136	1.3
131.04926	5.5
146.03607	3.2
161.05962	13.0
168.07852	1.9
181.08621	13.2
186.91447	1.7
189.05466	38.6
190.06305	10.7
205.08638	19.0
206.09435	1.5
223.07465	2.7
232.37016	1.6
251.07082	2.1
253.08542	1.9
255.10167	5.8
265.08649	1.9
267.06671	2.0
267.10068	2.4
279.06543	5.8
281.08185	1.7
283.09650	18.5
293.08020	1.6
295.09647	18.0
297.11249	7.9
298.11896	10.0
299.09134	6.1
311.09146	59.6
326.11478	91.3
326.15396	2.9
329.13901	5.6
357.13309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
50.09936	0.4
51.59588	0.3
55.64956	0.3
56.00953	0.3
59.45167	0.4
61.17898	0.3
67.05495	0.4
71.85104	0.3
76.41389	0.4
78.23980	0.3
88.87016	0.4
95.08575	0.5
105.03372	0.6
125.28440	0.4
127.82209	0.4
153.40532	0.4
258.73187	0.4
266.86328	0.4
284.06699	0.5
299.09195	0.5
309.07587	1.9
312.06384	0.7
316.22510	1.6
323.09183	0.6
327.08615	100.0
341.10193	5.7
342.11023	6.9
357.13303	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
57.60766	2.0
58.25522	2.2
65.40685	2.4
68.79056	2.3
70.41348	2.1
71.48468	2.4
79.05499	2.7
81.07056	4.3
85.82983	2.1
89.20514	2.3
91.05492	12.1
109.06533	2.6
119.04944	15.9
119.08558	3.8
121.06528	10.2
123.04412	2.8
125.09653	2.5
129.07068	3.3
131.04926	3.4
136.08830	3.3
137.05974	39.2
143.04956	3.6
147.04424	5.5
149.05995	19.6
151.03915	16.2
151.07538	5.6
159.08017	2.7
161.05952	3.4
167.07045	6.3
172.05202	29.1
175.07675	7.4
177.05479	3.8
178.06296	3.3
189.05489	9.5
194.49460	2.9
203.07007	4.2
212.94028	2.9
215.07014	17.0
219.08002	4.9
236.08289	4.7
237.09050	5.5
241.08432	3.1
247.07474	5.1
253.08591	4.3
261.09073	3.7
264.07675	4.4
265.08661	4.8
277.08746	3.4
279.09943	3.8
289.08649	4.3
290.18036	3.0
297.10974	4.8
299.08957	3.7
307.09622	11.2
308.19424	4.0
313.10626	3.7
321.11026	5.5
325.10834	38.8
327.08704	3.6
327.12234	4.4
329.13651	4.1
339.12360	6.4
357.13306	100.0
357.17441	5.0
377.00507	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05970	0.2
58.06563	0.4
59.57406	0.2
80.68164	0.2
84.08133	0.4
101.37096	0.3
111.22477	0.2
129.10164	0.3
134.05920	0.3
135.04367	0.4
162.05360	0.4
164.07068	6.2
179.07970	0.2
232.43236	0.3
255.04495	0.3
263.06750	0.4
295.09824	1.0
298.10727	100.0
357.14420	17.8
357.17892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	4.2
72.61545	0.6
78.19968	0.7
94.91372	0.6
95.97215	0.6
128.23587	0.7
130.60957	0.7
144.37408	0.7
152.44618	0.8
195.04398	0.9
199.07436	0.9
222.06256	0.9
223.07475	1.3
224.07854	4.0
224.87550	0.9
227.06949	1.3
228.07404	4.6
251.06955	4.1
252.07341	8.8
254.08879	1.4
269.07687	6.8
270.08435	1.4
279.06454	1.3
280.06833	7.3
284.10028	1.5
296.06866	1.4
297.07144	12.0
311.09064	13.7
312.09451	100.0
357.15234	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45669	0.7
55.49880	0.7
58.06609	1.9
69.85033	0.7
92.87251	0.7
111.19897	0.8
149.05962	1.1
150.06288	1.3
151.07535	1.5
152.07845	1.0
170.76688	0.7
188.07027	1.7
189.07553	5.0
190.08386	5.8
191.09190	7.3
192.09785	5.5
193.10590	1.0
206.09789	1.3
206.11774	72.8
207.12109	100.0
228.07256	1.3
252.07401	3.3
268.07300	1.1
269.07706	3.2
270.08405	1.4
279.06259	1.2
280.06973	1.9
284.09921	0.9
296.06781	1.2
297.07114	5.4
311.09088	5.5
312.09464	38.2
323.10840	0.9
339.14175	1.1
342.16327	1.1
357.15115	47.1
357.18933	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45669	0.7
55.49880	0.7
58.06609	1.9
69.85033	0.7
92.87251	0.7
111.19897	0.8
149.05962	1.1
150.06288	1.3
151.07535	1.5
152.07845	1.0
170.76688	0.7
188.07027	1.7
189.07553	5.0
190.08386	5.8
191.09190	7.3
192.09785	5.5
193.10590	1.0
206.09789	1.3
206.11774	72.8
207.12109	100.0
228.07256	1.3
252.07401	3.3
268.07300	1.1
269.07706	3.2
270.08405	1.4
279.06259	1.2
280.06973	1.9
284.09921	0.9
296.06781	1.2
297.07114	5.4
311.09088	5.5
312.09464	38.2
323.10840	0.9
339.14175	1.1
342.16327	1.1
357.15115	47.1
357.18933	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	3.3
75.00455	0.6
93.70820	0.6
95.80213	0.5
146.46004	0.6
195.04347	0.6
196.08383	0.6
222.06285	0.7
223.07549	1.0
224.07906	2.8
227.07033	3.2
228.07391	5.5
237.05135	0.9
251.06912	3.5
252.07358	9.3
254.05284	0.7
254.08987	1.3
269.07681	8.2
270.08420	2.8
279.06537	1.1
280.06848	8.4
284.10028	1.1
296.06738	2.4
297.07111	14.1
311.09125	14.7
312.09460	100.0
357.15216	41.0
379.50583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.05033	1.1
109.10146	0.8
150.49321	0.7
151.07799	0.7
158.09673	8.3
171.10486	0.8
172.11244	1.1
182.09633	9.3
186.12756	0.9
192.37766	0.7
198.12811	7.6
200.14389	1.1
202.96106	0.8
316.22394	1.1
327.18555	76.3
342.20908	60.3
357.23270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
57.07094	2.0
59.03741	1.9
67.05514	18.5
69.07071	10.7
72.04519	3.8
79.05498	15.0
81.03407	3.6
81.07069	20.1
82.07833	2.0
83.08630	9.8
84.96259	1.7
86.06031	2.3
91.05504	4.0
93.07048	17.1
95.04973	3.7
95.08602	18.3
97.06523	4.5
97.10172	15.4
97.77634	1.9
98.07328	2.3
105.07034	3.2
107.08611	21.6
108.09383	3.7
109.06529	2.1
109.10150	16.0
110.07303	2.3
111.08085	7.6
119.08575	8.7
121.06479	2.8
121.10134	10.9
123.08042	4.4
123.11730	2.7
125.09639	11.7
128.10707	4.3
131.08643	3.0
133.10141	7.0
135.08072	2.9
135.11705	10.8
137.09648	3.0
140.10649	2.6
145.10123	2.0
147.11702	3.0
149.13226	3.2
151.11185	4.3
154.12320	2.7
158.09557	2.9
159.11745	2.0
165.12769	2.3
168.13855	2.7
169.12213	2.2
170.11772	9.7
179.14305	7.9
182.09698	4.4
196.13272	2.8
201.56335	2.1
212.23732	3.1
259.20566	2.4
264.19595	2.3
277.21640	13.4
282.20569	3.2
294.24280	44.7
316.22269	16.7
327.18573	49.4
340.21292	2.6
342.20914	45.9
357.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.3
67.05508	9.1
69.07072	14.8
78.50435	1.8
79.05489	12.2
81.07050	9.6
83.08620	10.5
91.05511	1.9
93.07050	16.7
95.08610	4.4
97.06510	5.2
97.10169	20.1
107.08605	33.3
109.10147	10.2
111.11688	2.3
115.60498	2.1
121.10201	3.6
124.11225	22.8
125.09626	36.8
132.49188	2.4
133.10149	2.5
135.08038	18.7
135.11716	23.4
137.05960	5.4
142.12267	25.5
149.01219	2.6
152.10701	11.0
152.14360	19.9
153.09100	21.6
153.12755	26.7
170.11765	100.0
170.15369	19.1
171.10239	3.6
180.13870	2.4
183.48729	2.5
188.16423	3.9
189.11349	3.2
198.14899	41.4
225.14839	2.5
287.19736	2.3
340.24792	67.7
357.12860	12.5
357.20593	3.3
357.27457	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24032	3.0
55.05524	33.1
57.03440	6.9
57.07082	34.6
60.05182	3.7
62.67604	3.7
67.05509	54.0
69.07064	77.7
71.04984	6.7
71.08621	23.8
79.05511	22.7
81.07060	85.4
83.08609	60.5
85.06504	4.3
85.10220	4.6
93.07050	36.4
95.08608	72.0
97.06529	25.7
97.10179	39.9
105.06997	4.9
107.08608	44.0
109.10164	41.7
111.08096	8.9
111.11721	9.0
121.10136	70.8
123.11708	9.1
125.09660	4.4
125.50603	4.2
135.11705	64.1
139.11180	5.3
149.13263	24.0
151.14857	4.9
161.13225	4.0
163.14862	6.5
175.07521	31.8
191.17880	4.6
247.24197	58.4
265.25247	100.0
283.26205	9.0
306.37927	4.7
339.28909	48.1
357.25061	4.0
357.29913	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.22677	7.1
55.05517	35.8
57.07074	36.7
57.49909	6.6
67.05511	60.7
69.07060	83.9
71.08611	15.3
71.74011	7.6
79.05511	8.3
81.07063	59.7
83.04974	15.3
83.08624	79.2
85.10210	15.3
93.07038	45.7
95.08611	76.3
97.06574	10.8
97.10167	42.5
107.08607	47.8
109.10162	41.9
116.36158	7.6
121.09411	7.1
121.10127	73.1
135.11716	59.7
148.72455	7.6
149.13255	13.5
194.71169	8.5
240.07771	9.4
247.24225	76.8
265.25275	100.0
268.81253	9.0
283.26407	17.2
323.85675	10.2
339.28836	71.4
357.29922	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.68887	4.5
55.05511	28.5
56.78334	5.1
57.03450	7.2
57.07077	30.4
59.64539	4.1
61.95948	4.8
64.79880	4.2
67.00479	4.7
67.05509	53.5
69.07065	79.9
69.51469	4.9
71.08624	27.7
79.05495	32.6
81.07065	75.0
83.08614	68.8
85.10166	5.7
93.07037	34.0
95.08612	93.3
97.06536	29.1
97.09610	6.1
97.10124	40.7
107.08577	54.8
109.10155	32.8
111.08072	10.0
112.62919	5.5
121.10122	100.0
123.11720	8.4
135.11674	74.3
149.13257	24.9
165.16263	5.7
168.82588	5.3
247.24242	62.0
265.25186	84.7
267.26666	6.2
268.33749	6.0
283.26263	11.7
288.05396	6.0
317.48315	5.8
323.09277	5.6
339.29025	58.9
357.29892	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10122	6.2
55.05508	45.7
57.07084	42.0
59.98356	7.8
66.69379	7.0
67.05500	56.0
69.07066	78.7
71.28664	6.1
79.05488	15.9
81.07047	71.1
83.08628	72.8
85.10153	10.3
85.87726	7.4
93.07037	53.8
95.08611	91.4
97.06533	13.5
97.10168	35.3
107.08569	55.6
109.10150	53.3
121.10134	100.0
135.11684	62.9
149.10393	7.1
149.13260	38.5
163.14705	9.2
165.16357	10.8
211.33992	8.3
227.04774	9.6
247.24219	47.7
265.25293	91.2
283.26425	13.0
283.90063	8.4
339.28937	65.8
357.30081	11.8
358.87247	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	43.6
56.43357	3.7
57.07093	31.2
58.68333	4.2
60.57356	3.9
67.05509	43.2
69.07074	76.6
70.82246	4.6
71.08274	3.9
71.08639	23.5
74.92818	5.1
79.05495	29.1
81.07066	93.9
81.82114	4.3
83.08619	62.0
85.06521	4.6
85.10213	6.1
93.07031	49.7
93.22830	3.7
95.08609	85.3
97.06532	22.9
97.10162	41.1
107.08581	41.3
109.10162	28.1
111.08092	7.0
111.11736	7.0
114.38644	4.3
121.10140	87.9
123.11708	9.9
125.09686	4.9
130.12975	5.2
135.11710	69.7
139.11179	4.4
149.13286	31.0
151.14861	6.2
163.14816	7.7
165.16258	6.0
177.16354	6.2
206.15556	4.4
207.66861	4.4
247.24210	62.7
265.25232	100.0
283.26450	15.3
339.28970	60.6
357.30103	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05507	30.8
57.07075	15.9
67.05498	41.8
69.07068	67.4
71.03032	5.5
71.08627	25.3
72.94121	5.9
74.39384	6.3
79.05485	27.9
81.07068	72.2
83.08624	57.1
85.10181	7.3
86.06031	6.3
93.07031	40.5
95.08603	70.0
97.06514	11.3
97.10180	49.0
101.06021	6.3
107.08591	32.8
109.10153	30.2
110.06888	6.0
111.76706	6.3
121.10149	100.0
123.11729	8.5
126.55535	7.4
135.11681	72.5
137.13382	7.1
143.50775	5.9
147.78479	5.6
149.13306	12.6
163.14801	8.4
177.16338	6.2
179.47833	7.2
183.21791	6.4
247.24174	43.4
265.25204	79.7
283.03668	7.3
283.26163	9.4
339.28967	44.3
357.30017	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65746	3.2
57.93193	3.2
58.88614	3.6
63.82256	3.2
71.92601	3.6
74.21286	3.6
79.09945	3.4
116.93269	4.5
125.53724	3.7
130.34946	3.7
217.75804	4.2
338.04489	4.0
358.06827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0705
Annotation	Tolrestat
Peak:m/z	Relative Intensity
70.84316	0.5
76.14883	0.4
94.27593	0.4
144.59090	0.6
145.89655	0.4
176.98798	0.5
186.18680	0.5
244.07721	0.5
287.72046	0.5
300.06503	0.8
328.06119	2.0
330.07629	14.5
356.05542	3.1
357.69736	0.6
358.07083	100.0
358.16324	2.0
366.89648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11534	0.7
58.06586	1.2
70.06592	22.2
71.32234	0.9
73.03388	0.8
86.09701	3.6
116.07070	2.2
121.06472	1.0
132.10060	1.2
139.54198	0.9
183.28932	1.0
184.83694	1.0
190.08650	1.1
197.12888	1.2
199.10811	3.6
208.09668	1.3
220.13541	1.0
225.07861	2.0
225.27873	1.0
227.10124	3.8
239.09348	1.0
241.11008	1.9
253.07231	6.5
254.08096	5.9
254.17281	1.0
256.09711	1.9
257.06863	1.4
268.06058	1.6
270.07654	4.6
270.11206	1.6
281.06525	6.6
282.07465	1.2
282.10828	1.1
286.07098	4.1
292.22989	0.9
296.09195	9.6
296.12277	1.6
298.07166	55.6
298.10669	9.9
299.07971	1.1
308.12433	1.5
312.08585	3.5
312.12094	1.4
314.10382	3.0
314.13702	4.7
322.06989	1.9
324.12265	1.5
325.09393	1.4
325.13162	2.0
326.06525	4.0
340.08081	9.4
340.11740	10.2
340.15439	12.0
342.09653	3.4
343.10333	6.9
358.09122	100.0
358.12891	54.3
358.16461	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23979	0.6
51.18625	0.9
58.06598	1.8
70.06576	0.9
90.41199	1.0
91.05529	0.9
121.06522	1.1
135.04355	1.2
137.06009	2.1
141.56461	1.2
147.04408	1.5
149.05956	6.2
151.03870	4.1
151.07559	15.9
161.05954	1.1
162.09166	1.3
165.07919	1.3
177.05475	1.9
178.08531	1.4
179.03416	1.4
179.07033	1.9
185.31531	1.1
188.07069	5.6
190.08629	38.9
191.09436	7.4
192.10202	27.7
192.19556	1.0
194.08084	1.2
206.08122	11.6
208.09669	19.1
223.07579	1.6
239.07108	3.1
239.09326	14.8
251.06981	4.5
254.08086	1.1
255.06413	1.7
260.59750	0.8
269.08081	12.6
271.08398	5.6
281.07935	1.0
283.08524	4.9
284.09134	5.1
291.06644	1.9
291.10010	1.9
294.07562	1.5
294.38846	0.9
296.09253	1.4
297.07568	1.5
298.04190	1.7
298.07306	12.1
309.07681	2.1
309.11115	2.1
312.08621	13.6
312.12329	4.2
313.07047	19.7
314.10205	1.3
322.10883	1.4
338.90842	1.0
340.08035	14.7
340.11761	42.9
340.15515	11.1
358.09097	65.1
358.12817	100.0
358.16531	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53050	1.1
58.06607	32.9
65.74454	1.1
69.95221	1.1
73.46789	1.1
89.78452	1.2
92.21490	1.2
105.43365	1.2
137.05940	1.7
149.06082	1.5
162.05476	1.5
179.47362	1.2
190.08601	6.4
191.09460	3.0
193.83571	1.2
218.04562	1.4
233.40321	1.4
247.35902	1.4
253.08592	4.6
258.61523	1.4
264.06497	9.5
266.08096	2.8
277.08649	2.0
278.08084	2.8
279.08780	11.6
281.08057	5.2
283.09537	2.5
284.09085	6.2
290.08142	2.9
292.06018	19.9
292.09235	1.8
294.07529	16.3
295.08450	11.4
298.08270	7.0
306.07825	1.4
307.08383	76.5
308.09250	21.9
309.09940	10.3
310.07294	2.2
310.10693	18.8
312.08737	1.7
313.10608	14.2
315.12286	1.5
322.10727	26.2
323.11581	1.8
324.08386	1.4
324.12146	1.7
340.08456	4.1
340.11783	100.0
343.10480	48.3
358.09381	2.8
358.12738	68.6
358.16519	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53050	1.1
58.06607	32.9
65.74454	1.1
69.95221	1.1
73.46789	1.1
89.78452	1.2
92.21490	1.2
105.43365	1.2
137.05940	1.7
149.06082	1.5
162.05476	1.5
179.47362	1.2
190.08601	6.4
191.09460	3.0
193.83571	1.2
218.04562	1.4
233.40321	1.4
247.35902	1.4
253.08592	4.6
258.61523	1.4
264.06497	9.5
266.08096	2.8
277.08649	2.0
278.08084	2.8
279.08780	11.6
281.08057	5.2
283.09537	2.5
284.09085	6.2
290.08142	2.9
292.06018	19.9
292.09235	1.8
294.07529	16.3
295.08450	11.4
298.08270	7.0
306.07825	1.4
307.08383	76.5
308.09250	21.9
309.09940	10.3
310.07294	2.2
310.10693	18.8
312.08737	1.7
313.10608	14.2
315.12286	1.5
322.10727	26.2
323.11581	1.8
324.08386	1.4
324.12146	1.7
340.08456	4.1
340.11783	100.0
343.10480	48.3
358.09381	2.8
358.12738	68.6
358.16519	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84845	0.9
58.06318	1.4
58.06607	41.3
58.26752	1.0
78.48719	1.0
103.82431	1.1
115.47523	1.1
127.33985	1.2
179.07036	1.1
196.07686	2.1
197.85594	1.1
249.05478	1.4
253.08527	1.6
263.09402	1.5
264.06531	12.7
264.09308	1.3
266.08124	2.4
278.08273	3.6
279.08923	11.1
280.06104	1.3
281.08105	6.5
283.09674	1.4
290.08163	4.7
292.06091	23.7
292.09286	2.0
293.10443	1.9
294.07587	19.4
294.11017	4.0
295.08340	14.7
298.08188	5.8
306.07584	1.3
307.08371	78.4
308.09122	26.4
309.10028	10.3
310.07385	2.4
310.10675	18.0
313.10626	15.8
315.11911	1.6
322.10709	25.6
323.11371	2.5
324.08682	1.4
340.11768	100.0
343.10413	7.1
358.04602	5.7
358.12659	37.3
358.16513	36.6
374.69699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59686	0.7
51.68819	0.8
58.06348	0.9
58.06610	15.0
60.87790	0.7
63.62174	0.7
74.08997	0.7
105.68567	0.8
110.42213	0.8
149.05933	1.2
151.07556	1.7
177.05443	1.3
177.07410	0.9
179.07010	0.9
190.04997	0.9
190.08582	6.7
191.09335	5.8
192.10220	1.4
194.11432	0.7
208.09567	2.5
253.08604	3.1
264.06543	12.2
264.09924	2.8
266.08051	3.2
272.77243	0.9
278.08121	1.6
279.08969	10.9
280.05917	3.1
281.08200	3.3
290.08047	1.6
292.06100	23.2
292.09570	3.0
293.06738	1.1
294.07645	16.6
294.10931	2.4
295.08316	14.5
296.09180	1.7
298.08261	3.4
306.07578	1.0
307.08374	76.2
308.09174	23.3
309.09924	10.5
310.10751	17.9
312.11859	0.9
313.07294	0.8
313.10672	5.9
322.10712	29.4
323.11682	1.6
324.08633	4.0
340.11783	100.0
343.10516	10.6
358.12668	34.8
358.16498	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Toddaliopsin B
Peak:m/z	Relative Intensity
53.46257	0.4
53.54599	0.4
55.05512	0.5
81.07046	0.5
92.21489	0.5
143.01050	0.5
156.03668	0.7
186.92691	0.5
198.64153	0.5
249.54726	0.5
255.05309	1.9
273.06320	7.6
286.03418	0.7
300.05002	1.1
301.05795	35.7
314.06549	14.1
315.07422	0.7
322.99493	0.5
326.09915	3.5
328.08069	2.0
343.10504	4.9
358.12820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.1
60.91472	0.5
66.38769	0.4
89.79463	0.5
151.91817	0.5
196.04190	0.5
212.18646	0.7
221.34470	0.4
229.80659	0.5
238.08571	0.9
239.09387	32.3
242.08133	3.6
252.10172	0.8
253.10944	14.7
254.08110	1.1
254.11734	12.2
267.08972	2.6
271.08365	10.3
280.09726	6.2
282.11237	100.0
285.25574	0.5
293.61353	0.5
295.09537	0.6
296.12985	0.6
297.83450	0.5
298.10806	0.6
306.11154	2.1
324.12320	1.1
340.15503	5.9
355.03461	0.5
355.08615	0.5
358.08286	1.8
358.12766	25.3
358.16589	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42968	0.4
54.52822	0.4
58.06604	3.7
71.19241	0.5
76.19724	0.4
79.94544	0.4
91.05467	5.1
95.04961	0.9
119.04939	6.4
123.04446	0.9
137.06007	1.9
146.13628	0.5
149.02448	0.6
151.03917	2.3
151.07535	40.0
164.07086	1.8
167.03386	2.5
177.05476	0.7
177.38675	0.5
179.09370	3.9
180.10181	1.1
190.08630	2.3
192.10188	12.0
206.08177	2.8
208.06134	0.9
208.09712	6.8
222.96895	0.5
226.08548	4.1
227.09344	3.1
236.09282	0.5
239.17224	0.5
249.05392	1.0
253.07460	0.6
254.08160	0.8
255.06442	0.9
259.08322	0.9
263.06998	0.7
269.08121	0.9
279.08868	0.8
281.07983	2.3
283.04776	0.8
284.05539	0.8
286.10535	0.6
287.09232	1.1
287.12817	0.5
292.05963	1.9
294.07758	0.9
295.08603	0.7
296.09177	2.0
297.07516	3.1
298.07080	33.0
299.08823	3.3
307.08380	6.5
308.09119	2.4
309.07501	2.2
310.07111	0.5
310.10690	1.7
312.08884	0.9
312.12326	2.7
314.10181	0.9
322.10651	2.5
325.09399	0.8
327.08630	0.8
330.09534	0.6
340.08026	1.9
340.11658	9.9
343.06808	2.4
358.09064	38.1
358.12851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	3.4
65.15245	0.4
65.64756	0.4
70.06589	1.0
77.53461	0.4
84.08135	0.5
86.06121	0.4
86.09699	0.7
91.05482	2.0
103.05469	0.6
105.07037	0.8
116.07081	0.9
119.04945	2.6
121.06479	0.9
123.04409	0.7
131.04897	0.8
133.06477	0.9
135.04408	1.6
137.05980	3.7
149.05963	7.4
151.03932	4.6
151.07542	16.5
159.04456	0.7
160.07469	0.6
161.05977	0.8
162.09097	3.3
163.07513	1.0
164.07077	2.0
165.07870	1.6
165.09129	2.6
175.06223	0.5
176.07063	2.1
177.05443	4.3
177.07819	1.0
178.08611	2.2
179.03394	2.6
179.07077	3.2
180.10216	1.9
182.11739	0.5
188.07083	3.0
189.05453	0.5
190.08624	43.8
191.09393	13.0
192.10188	25.3
197.04282	0.4
204.06532	1.8
206.08110	10.5
208.09686	28.7
209.06046	0.7
211.07538	0.9
221.06023	0.5
221.09718	0.8
223.07527	0.9
226.08643	0.8
227.09497	0.6
231.07961	0.5
233.06146	0.5
235.07515	0.9
235.48938	0.4
236.08791	0.6
237.05443	1.8
237.09076	2.2
239.06979	2.7
239.09399	11.2
242.08138	0.9
249.09145	2.2
251.07063	3.0
253.08525	1.9
255.06453	3.4
256.09680	0.9
259.07617	1.0
263.06958	2.2
263.10690	0.8
265.08524	0.9
267.06665	0.9
267.10022	0.7
269.08069	11.1
269.11639	2.3
270.05209	0.7
271.08374	4.7
276.07910	0.7
277.08615	1.7
278.08447	0.5
279.06604	0.9
279.10031	1.8
281.04846	0.5
281.08069	3.1
281.11365	3.5
283.08286	3.2
284.09091	2.9
291.07031	3.8
291.10080	3.7
294.07776	1.0
296.09094	0.8
297.07590	1.0
298.04050	3.1
298.07455	6.3
299.08957	0.9
306.11200	0.6
307.08261	1.1
307.11865	0.5
309.07736	1.0
309.11172	5.8
310.10712	0.8
312.08633	11.9
312.12247	2.9
313.07077	18.4
313.10629	0.8
314.10223	1.0
322.10800	0.8
322.14319	2.7
327.08612	0.7
330.13495	1.0
340.08060	11.6
340.11768	34.1
340.15469	20.4
358.09094	50.7
358.12766	97.5
358.16507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	22.1
64.21705	1.1
64.64193	1.5
70.06600	39.7
74.06110	1.1
74.98347	1.1
78.13248	1.3
81.03438	1.2
86.09726	1.4
102.05534	1.2
107.31606	1.3
116.07099	2.6
164.07063	7.3
178.08484	2.1
196.13324	1.7
197.12819	1.5
199.10786	5.5
225.07770	2.3
227.10294	2.7
253.07263	4.5
254.08051	8.8
257.39160	1.3
266.08340	1.5
270.07684	2.4
270.11142	2.9
281.06943	2.9
281.10651	1.7
284.08856	1.4
286.07104	2.9
296.09164	2.4
298.07092	45.3
298.10764	16.2
299.11426	1.9
312.08575	2.0
313.07376	1.7
314.09985	1.6
314.13739	5.7
326.06464	5.4
328.08090	8.3
330.09717	1.8
340.08051	6.8
340.11829	16.0
342.09921	2.2
343.10559	28.6
358.09097	100.0
358.12903	86.8
358.16458	11.3
358.19882	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	22.1
64.21705	1.1
64.64193	1.5
70.06600	39.7
74.06110	1.1
74.98347	1.1
78.13248	1.3
81.03438	1.2
86.09726	1.4
102.05534	1.2
107.31606	1.3
116.07099	2.6
164.07063	7.3
178.08484	2.1
196.13324	1.7
197.12819	1.5
199.10786	5.5
225.07770	2.3
227.10294	2.7
253.07263	4.5
254.08051	8.8
257.39160	1.3
266.08340	1.5
270.07684	2.4
270.11142	2.9
281.06943	2.9
281.10651	1.7
284.08856	1.4
286.07104	2.9
296.09164	2.4
298.07092	45.3
298.10764	16.2
299.11426	1.9
312.08575	2.0
313.07376	1.7
314.09985	1.6
314.13739	5.7
326.06464	5.4
328.08090	8.3
330.09717	1.8
340.08051	6.8
340.11829	16.0
342.09921	2.2
343.10559	28.6
358.09097	100.0
358.12903	86.8
358.16458	11.3
358.19882	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.128
Annotation	Penicidone C
Peak:m/z	Relative Intensity
58.06607	43.0
59.95812	0.7
66.72866	0.8
66.91650	0.7
70.06584	2.2
70.65999	0.7
72.08150	3.2
77.46078	0.8
85.80760	1.0
86.09708	1.2
91.05475	1.8
95.04939	1.0
98.06043	0.9
107.14014	0.8
115.36340	1.2
116.07095	1.6
119.04935	6.1
123.04427	1.3
123.26685	1.1
132.57933	1.0
137.06003	3.4
151.03825	1.1
151.07542	43.0
151.32310	1.0
163.03902	2.1
164.04210	2.1
164.07108	0.9
165.84947	1.0
167.07022	2.1
177.05495	1.3
179.07130	1.3
179.09451	2.1
180.10138	1.3
185.85686	0.8
190.08652	4.5
192.10205	26.0
198.22610	0.9
206.08293	0.9
208.09680	4.5
224.59406	1.0
226.08658	2.2
227.07050	2.2
235.07651	1.0
240.09961	1.0
251.09444	0.9
253.08499	1.2
255.06520	1.7
259.08456	1.2
260.16275	0.9
263.06992	1.3
264.06476	6.7
266.08090	1.2
277.08228	1.2
278.08047	1.5
279.08838	6.7
281.08051	6.0
285.11102	1.2
287.09146	2.2
292.06073	14.5
292.09326	1.7
294.07776	11.2
294.10999	1.6
295.08423	7.2
296.09198	1.8
297.07614	1.3
298.06998	13.5
306.07748	1.3
307.08389	43.7
308.09201	12.7
309.09988	5.8
310.10733	11.7
312.12634	1.5
313.10712	5.4
314.09845	1.1
322.10760	17.6
325.09418	1.1
340.11765	62.3
343.06863	2.0
343.10764	1.2
358.09113	17.8
358.12775	100.0
358.16586	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18851	0.3
52.71075	0.4
58.06353	0.5
58.06607	8.5
64.48095	0.3
65.62510	0.4
69.16081	0.4
70.06609	0.3
87.31317	0.3
91.05471	4.5
95.04957	1.7
119.04945	6.6
120.33564	0.3
123.04399	0.9
133.65419	0.4
136.05176	0.7
137.05940	2.2
147.04448	0.4
149.02391	0.5
151.03900	2.2
151.07533	44.7
160.07620	0.4
164.07033	1.6
167.03387	2.1
176.07060	0.4
177.05421	0.7
177.07881	0.8
179.09444	3.1
180.06480	0.4
190.08582	2.8
191.09276	0.5
192.10190	19.7
205.04362	0.4
206.08086	2.3
207.08055	0.5
208.06128	0.4
208.09700	5.1
225.09077	0.5
227.06940	0.8
235.07526	1.6
236.09216	0.5
238.06239	0.7
239.07068	0.7
241.08727	0.5
249.05484	0.7
253.08502	2.8
255.06425	0.5
263.06961	1.9
263.86218	0.4
267.06689	0.6
269.08063	1.8
271.09616	0.5
277.04962	0.7
280.09698	0.6
281.08105	9.5
282.08817	0.5
283.09674	1.5
285.11246	0.9
287.09097	0.9
291.06366	0.4
296.09076	0.9
297.07330	2.7
298.08328	1.5
299.09036	3.5
307.08286	0.7
309.07547	3.5
311.11484	0.6
312.12189	2.7
313.10651	5.5
325.09512	0.7
327.08606	2.3
340.11719	3.7
343.10370	0.5
358.12759	100.0
358.16547	18.5
384.28134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01861	0.4
57.71929	0.4
59.90352	0.4
69.03433	0.7
76.04005	2.6
81.03400	1.1
85.02914	2.1
85.09764	0.5
87.04475	0.4
88.03982	3.6
91.05472	1.0
93.07045	3.0
97.02889	7.6
98.06023	0.5
99.04453	3.7
100.43378	0.5
103.05471	2.3
109.02856	0.5
115.03979	0.5
115.71210	0.5
121.06500	100.0
127.03915	2.1
134.06055	0.7
150.09131	0.8
154.04947	2.0
156.06480	0.8
164.06978	0.6
174.07613	2.6
178.07016	0.5
178.08614	1.1
184.06000	0.6
196.09648	6.0
202.07094	15.4
208.09680	2.0
219.07162	2.0
220.08131	7.7
223.44543	0.5
226.11774	0.6
231.97389	0.5
294.13177	0.5
312.14221	1.0
322.12845	5.2
340.13876	38.6
358.14969	15.7
380.97717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1494
Annotation	Bakankoside
Peak:m/z	Relative Intensity
52.22518	0.9
54.54465	0.7
55.01886	1.4
61.02930	1.3
69.03451	7.2
69.22122	0.8
73.02901	2.0
79.53239	1.0
81.03428	1.9
85.02907	15.5
87.04474	1.5
97.02889	6.7
99.04425	1.1
103.03952	1.7
109.02866	2.4
127.03941	4.2
133.06448	1.8
134.39142	1.0
137.05991	5.6
143.04936	4.2
149.06009	1.2
151.07556	17.4
157.83698	0.9
160.07570	2.1
161.05986	20.8
164.06999	1.0
166.88948	0.9
177.07890	5.2
178.08633	58.6
179.07008	15.9
190.08658	5.9
192.10152	3.7
194.89743	1.2
196.09692	100.0
208.09746	1.5
220.09650	9.8
244.88774	1.0
261.09854	1.3
308.11209	1.4
322.12833	9.7
326.12268	2.0
340.13913	16.5
358.14969	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
106.06606	0.9
132.04451	2.0
134.07333	1.2
135.07959	1.1
149.05966	12.2
150.06778	6.2
162.05489	0.8
163.07501	3.4
163.69167	0.8
164.08325	29.7
165.09097	13.9
167.07022	1.0
176.07043	9.3
177.07840	1.7
178.08652	5.0
191.09454	0.9
194.06364	1.7
194.08127	43.9
223.90312	0.9
236.87990	0.8
310.10880	2.5
310.14362	9.2
324.12482	1.5
325.13049	1.6
326.13730	1.5
333.72021	0.9
340.15433	36.0
341.16431	1.6
358.16452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1639
Annotation	Malacitanine
Peak:m/z	Relative Intensity
51.67369	0.6
57.61348	0.7
63.10588	0.9
63.69041	0.7
72.67383	0.8
79.48074	0.9
85.80849	0.9
121.38162	0.9
132.04417	2.0
135.08044	1.1
149.05977	11.5
150.06769	4.5
163.07552	3.0
164.08331	30.3
165.09116	18.1
166.09937	1.1
167.07025	1.1
176.07054	10.6
177.07788	1.3
178.08635	6.3
194.08119	55.9
194.84492	0.9
302.49380	0.9
308.12646	1.0
310.11026	1.5
310.14362	9.2
324.12262	3.7
325.13004	1.3
325.84814	0.8
326.13806	4.1
340.15414	39.5
341.16177	1.2
358.16483	100.0
364.85272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1641
Annotation	Malacitanine
Peak:m/z	Relative Intensity
77.81159	0.4
105.07018	0.6
107.04998	0.4
111.14878	0.3
119.04978	0.4
121.06475	0.7
132.04422	3.4
133.06480	0.6
134.06035	0.5
134.07262	0.7
135.08066	2.6
146.07198	0.4
147.08040	0.5
149.05972	15.6
149.07065	0.8
150.06729	5.2
151.03917	0.4
161.05933	0.7
162.06602	0.7
163.07542	2.6
164.07104	1.3
164.08315	28.0
165.09094	17.8
166.09875	1.8
167.07005	0.7
176.07045	10.5
177.07860	3.6
178.08617	5.9
191.09386	0.9
193.08620	0.9
194.08127	51.9
202.40088	0.4
242.30426	0.5
257.11090	0.5
294.11417	0.6
306.11319	0.8
308.12820	1.6
309.13412	0.5
310.10959	1.3
310.14340	8.7
324.12155	2.8
325.13251	2.4
326.13736	4.0
338.13803	1.7
340.15439	37.8
341.16196	2.7
358.16489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1642
Annotation	Malacitanine
Peak:m/z	Relative Intensity
54.15057	0.6
63.79786	0.6
87.12034	0.7
92.77520	1.0
102.88425	0.9
108.23062	0.7
121.06511	1.2
132.04471	4.3
134.07280	1.3
135.08043	1.9
137.06010	1.0
147.08122	0.9
149.05983	14.1
150.06712	6.5
151.22385	0.7
163.07535	2.7
164.06982	1.8
164.08315	29.1
165.09109	15.1
166.09851	1.2
176.07050	10.8
177.07802	1.3
178.08591	5.6
191.09424	1.1
194.08116	48.6
308.12979	1.3
310.11169	1.6
310.14365	8.3
315.67331	0.7
324.12103	2.5
325.13083	1.6
325.44229	1.0
326.13928	3.4
338.14026	1.0
340.11349	1.5
340.15442	37.9
341.15652	1.0
358.16479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
53.52640	0.4
58.06609	100.0
59.98318	0.5
70.06599	1.2
72.08157	11.4
74.06073	3.7
133.28137	0.5
227.07082	3.3
255.06615	1.1
285.11176	1.1
287.09149	5.3
358.16476	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1645
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
50.94192	0.5
58.06605	16.5
91.64817	0.5
115.00397	0.6
121.06461	0.7
123.71743	0.6
137.05978	1.3
140.03737	0.6
147.04497	0.6
149.05968	6.4
151.07538	14.5
160.07491	1.0
165.05455	0.8
176.07007	0.7
177.05478	2.6
179.07021	0.6
179.09499	0.9
180.10234	2.6
190.08621	30.6
191.09412	29.6
191.11174	0.7
192.10201	4.9
195.08078	2.2
197.06227	0.7
207.08118	1.3
208.09679	12.1
235.07516	3.5
239.07079	1.1
249.09026	4.1
253.08672	2.5
263.07025	2.5
265.08670	0.7
267.10138	2.7
277.08560	11.9
281.08014	1.2
283.09494	0.7
294.08774	0.9
295.09656	1.3
299.12656	1.2
308.12891	2.4
309.11111	0.7
310.10641	0.7
313.07394	0.8
313.10745	3.9
324.12177	2.5
325.13077	3.0
326.13864	1.0
327.12274	0.7
328.15616	0.7
340.15396	4.2
358.16461	100.0
365.98950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1648
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
53.66216	0.6
58.06607	36.7
81.02388	0.7
98.67449	0.7
103.75076	0.7
112.19524	0.7
120.79636	0.7
137.05954	1.1
149.06007	5.4
151.07545	11.8
176.07033	1.3
177.05464	1.1
179.09505	1.0
180.10320	0.9
190.08633	26.6
191.09412	24.4
192.10263	3.7
195.08070	1.1
195.73198	0.7
208.09676	8.2
224.85466	0.8
235.07578	1.8
239.07098	1.2
249.09041	3.4
253.08554	4.6
262.06314	0.9
263.07086	3.6
265.08551	1.1
266.06052	0.7
267.10147	3.0
268.13123	0.8
277.08624	8.8
281.08054	3.9
297.11124	1.2
298.07709	3.7
313.10571	9.8
325.13101	1.6
326.13641	6.6
340.15414	5.3
358.09848	10.4
358.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1648
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
58.06318	1.4
58.06608	42.6
71.84529	0.8
80.55399	0.9
83.84620	0.8
87.38718	1.0
92.99222	0.8
94.79109	0.9
98.25471	0.9
99.04393	1.0
112.77892	0.9
123.32970	0.8
124.54782	1.1
128.16872	0.9
137.06021	4.3
147.04483	1.1
149.06004	1.7
151.07533	6.4
162.06784	1.7
163.07478	1.3
170.09113	1.0
177.05437	1.2
177.07802	2.0
178.08574	1.2
190.08647	12.6
191.09425	9.3
192.10178	49.0
203.51149	0.9
206.08127	7.7
208.09740	6.2
221.10522	5.8
242.25244	0.9
249.09073	2.0
277.08655	9.6
307.08307	3.8
308.09134	1.1
308.12613	1.9
309.13757	1.4
310.10751	1.8
324.12039	1.6
325.13022	3.5
327.12402	1.3
330.05283	1.5
337.68179	1.0
340.11761	5.4
340.15497	4.1
343.02429	1.4
358.05017	8.1
358.12665	6.7
358.16501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1644
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
58.06612	4.6
75.32627	0.3
81.45912	0.4
91.05485	0.6
94.57333	0.3
119.04934	0.4
137.05984	1.6
149.05972	7.4
151.07538	12.3
160.00125	0.3
164.07057	0.5
165.05484	0.7
167.06984	0.7
175.06274	0.5
176.07059	1.5
177.05466	3.0
177.07887	1.3
179.09431	0.8
180.10239	2.3
187.44580	0.4
188.18028	0.3
189.05399	0.4
190.08627	38.5
191.09410	30.5
192.10185	5.8
195.08061	2.0
207.08092	1.6
208.09683	12.6
217.06560	0.8
223.07573	0.6
234.06763	0.7
235.07602	2.6
237.09097	1.6
239.07214	0.4
239.10692	1.4
247.07291	0.4
249.09059	5.3
263.07108	2.8
265.08591	1.9
267.10217	2.5
271.09720	0.7
277.08591	13.3
279.10110	0.6
294.08810	0.7
295.09683	2.0
297.11234	1.8
299.12750	1.8
308.12787	1.8
309.10995	0.5
323.11572	0.5
324.12305	2.2
325.13123	4.0
327.12338	1.6
340.15430	5.0
358.16479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
63.16922	0.5
66.17935	0.4
66.37898	0.5
67.05486	0.4
69.46822	0.4
69.66920	0.5
70.94801	0.5
71.04990	0.6
76.98627	0.5
91.40627	0.5
114.93855	0.5
149.51057	0.5
151.48853	0.6
155.77007	0.5
160.34534	0.5
163.40724	0.5
167.07101	0.5
176.07082	0.7
205.10988	2.6
263.09421	2.1
282.11313	0.8
294.11395	1.1
297.10278	0.6
297.13373	3.7
308.12802	17.2
310.10718	2.2
322.10794	3.1
323.11401	2.0
324.12292	1.2
325.13104	10.5
326.13885	28.3
328.11810	16.7
331.52792	0.5
334.07236	2.6
342.13266	4.3
343.14157	16.2
349.09283	2.3
358.16486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
57.33697	1.1
58.06612	1.4
78.12434	1.1
80.15182	1.3
80.90779	1.2
107.66686	1.2
149.06020	1.6
151.07530	10.4
162.09135	2.2
163.07567	1.3
165.09120	2.1
179.06967	2.4
190.08670	19.4
191.09465	15.8
192.10202	12.9
208.09708	31.6
237.09166	1.9
259.07687	1.5
291.10086	3.2
309.11227	5.5
316.55527	1.7
340.11746	3.5
340.15366	21.5
358.12857	8.1
358.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1644
Annotation	Malacitanine
Peak:m/z	Relative Intensity
53.05308	0.3
59.26072	0.4
86.09706	0.9
91.05477	0.5
102.98763	0.4
102.99532	0.4
107.04983	0.6
107.08583	0.6
109.21843	0.4
113.35030	0.4
118.07805	0.6
121.06512	1.0
131.45914	0.5
132.04555	0.5
134.07283	2.2
135.04448	0.6
135.08063	2.1
147.08022	0.7
149.05991	18.9
150.06776	6.0
151.07549	1.7
153.09085	0.6
162.05473	0.6
162.06781	0.6
163.06392	0.5
163.07501	4.1
164.08328	37.1
165.09102	18.0
166.06203	0.8
166.09891	2.1
167.07039	6.0
176.07072	10.5
177.07822	0.9
178.08620	5.9
181.08591	0.9
191.09445	1.9
192.10168	2.5
193.10646	0.6
194.08128	21.6
208.94542	0.5
294.11295	0.8
296.12830	0.7
297.13879	0.5
306.11197	2.5
308.12878	1.0
310.10895	0.8
310.14325	8.6
324.12329	6.2
325.13168	2.8
326.13892	3.6
338.13800	2.2
340.11444	1.5
340.15417	40.8
341.16196	2.1
358.16476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
51.65833	1.0
58.06606	63.8
58.47514	1.1
62.11760	1.1
70.06594	1.7
70.66727	1.3
72.08133	6.0
77.85519	1.1
85.02927	1.2
88.07621	2.7
94.09058	1.1
137.05966	2.0
144.04460	2.0
149.05933	1.4
161.85950	1.3
162.05464	1.9
174.05528	9.2
176.07088	2.1
179.03369	1.5
190.08693	1.9
192.10208	5.2
208.09653	7.0
235.07596	6.0
248.07307	1.3
253.08531	1.4
256.09583	5.1
263.06931	19.3
279.05386	1.5
281.08121	2.4
284.09314	1.5
285.07642	2.6
285.10852	1.6
294.07626	10.1
295.09506	8.6
295.12796	1.2
296.09158	3.0
297.09851	5.9
298.07080	11.2
298.10120	1.4
307.08154	2.5
308.09122	2.3
309.09921	15.9
310.07080	5.2
312.08719	2.3
312.12177	5.8
313.10696	11.1
314.10159	8.4
322.07111	8.4
322.10645	2.2
324.08734	11.4
325.09488	3.1
325.13132	2.2
326.10260	2.7
328.07681	2.1
330.13147	1.7
340.07953	8.4
340.11740	33.1
340.15439	4.0
342.09634	11.1
343.10324	16.0
358.09073	27.9
358.12680	100.0
358.16501	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1652
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
57.32110	1.2
58.06607	39.7
65.51839	1.0
88.07635	1.3
91.72189	1.0
93.92982	0.9
96.57410	0.8
119.04866	1.2
122.06767	1.0
136.22412	1.1
143.04031	1.2
145.02769	1.1
147.93794	0.9
149.05994	4.0
151.07584	5.7
163.03885	1.6
167.07051	1.2
177.05424	1.6
178.05913	1.0
190.08601	16.6
191.09399	12.7
207.08046	1.5
208.09662	6.8
221.05910	1.3
235.07594	1.9
238.06499	1.2
249.05505	1.2
253.08498	4.6
263.07037	8.5
267.09952	1.0
277.08582	7.7
281.07993	5.5
283.09546	1.6
284.09174	4.3
295.09540	6.2
298.08286	4.0
307.08578	1.4
313.10641	17.9
315.12329	1.2
322.11331	1.1
325.13110	1.1
330.05270	1.6
340.11816	2.2
340.15515	1.9
343.02487	1.5
343.10449	32.8
343.14380	1.4
358.04700	4.6
358.12677	23.1
358.16440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.201
Annotation	Hetidine
Peak:m/z	Relative Intensity
51.83122	0.5
67.05502	1.0
68.32756	0.5
69.07053	0.8
73.84395	0.5
76.26234	0.5
79.05505	1.2
80.05018	6.6
80.20448	0.5
81.07043	2.3
85.02914	0.6
86.09698	0.6
91.05486	4.5
93.07034	7.0
95.04955	1.0
95.08586	0.9
103.05463	2.3
105.05399	0.5
105.07058	0.7
107.04971	1.2
107.08580	1.2
109.10140	1.0
115.85730	0.6
119.08639	0.6
121.06506	100.0
133.10184	0.5
156.92014	0.6
167.24318	0.6
174.12704	1.3
179.20692	0.6
192.13789	7.6
200.10693	11.4
210.14905	5.4
312.16064	0.8
312.19583	15.5
330.20618	29.2
340.19101	13.5
350.42450	0.6
358.12848	1.0
358.16434	2.7
358.20148	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
55.97533	0.7
56.96566	6.8
57.07053	0.8
60.04507	1.1
61.65824	0.7
67.05493	3.7
69.07074	1.7
73.68743	0.7
74.06060	1.1
76.65408	1.0
81.07076	6.8
82.07386	1.0
83.08632	1.2
84.04510	5.4
86.06081	7.1
87.24769	0.8
89.53217	0.8
93.07024	1.5
95.08606	3.8
97.06573	0.8
99.05215	0.9
102.05540	4.3
107.08589	1.0
109.10193	1.8
121.10135	1.3
143.55234	1.2
224.07079	1.0
256.74133	1.1
317.17834	48.0
333.17288	2.1
335.18924	100.0
340.28500	7.4
353.19928	18.9
358.16553	1.3
358.20511	5.1
358.29672	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35127	1.6
56.96557	2.9
60.88720	2.2
60.98473	1.8
79.61918	2.0
85.67022	1.9
86.09546	2.1
93.27412	2.2
95.08593	3.2
120.50233	2.0
161.11008	2.3
265.28876	2.4
306.59830	2.4
317.17828	36.9
333.17322	4.1
335.18951	100.0
353.19971	22.9
358.07199	3.2
358.16513	2.9
358.20428	4.2
374.48767	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75623	1.3
53.77608	1.3
55.05507	1.9
56.17555	1.5
64.02763	1.6
67.05515	14.5
67.05801	1.6
68.34254	1.7
71.04991	3.5
79.05495	7.8
81.07049	9.7
83.04977	16.7
85.06603	1.6
86.09708	100.0
91.05484	3.2
93.07040	8.9
95.04960	2.5
95.08620	3.1
97.06535	3.9
99.04468	2.7
99.62018	1.8
107.04937	2.5
107.08575	3.6
109.10166	17.6
111.04437	72.6
111.08064	22.0
113.24853	1.8
119.08557	4.0
121.06475	3.2
121.10160	13.0
121.51455	1.8
131.08543	3.9
132.10210	19.6
135.11670	18.3
145.10106	12.7
147.11659	3.7
149.09598	9.0
153.12732	35.4
163.11160	52.6
173.09639	12.5
181.12221	61.9
191.10641	36.1
209.11673	14.8
227.12755	51.7
227.96703	1.9
237.14690	2.0
291.72299	1.9
294.20746	2.7
312.21671	47.6
323.18414	2.7
333.27866	2.0
340.21304	24.9
358.22159	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83192	2.7
66.74201	2.7
67.05506	13.6
79.05489	3.3
81.07069	6.6
83.04984	11.9
85.38067	2.7
86.09716	100.0
91.05503	3.9
93.07063	3.4
93.50548	3.4
95.08609	6.6
96.57433	2.9
97.06512	4.6
97.62752	3.2
99.04460	3.0
107.08585	7.1
109.10181	16.7
111.04434	62.7
111.08074	13.1
111.77145	2.6
116.95307	3.2
119.08545	4.0
121.10130	14.2
126.89119	3.1
132.10205	14.8
135.11711	18.1
145.10133	11.6
147.11697	6.8
149.09601	5.4
151.07550	3.5
153.12724	36.6
163.11177	43.5
163.34995	3.3
171.95555	3.4
173.09625	6.1
181.12209	62.9
185.84193	3.1
191.10674	39.3
209.11742	12.2
227.12735	59.3
312.21719	40.9
323.18335	6.2
340.21307	22.7
358.21002	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.3
56.05037	10.0
56.17443	2.0
57.07074	2.9
59.27854	2.1
60.04241	4.2
60.04528	82.1
61.85025	2.2
67.05492	17.9
69.07060	17.1
71.08658	3.2
72.04507	3.2
74.06085	4.2
74.50282	2.3
79.05476	12.0
81.03444	3.7
81.07043	14.9
82.06548	3.3
83.08614	5.6
84.04501	14.1
84.64784	2.3
85.02863	2.2
86.06084	6.4
91.05467	5.2
93.07040	11.4
94.06576	3.3
95.08595	18.8
96.08098	2.5
102.05547	15.4
104.00926	3.0
105.07059	4.7
107.08611	5.6
109.10154	4.6
119.08577	5.2
121.10141	3.9
133.10147	4.6
142.08675	3.2
150.54395	2.6
158.50165	2.9
158.96690	2.8
245.22490	4.5
248.13695	2.9
262.25269	27.7
263.23907	3.9
280.26300	19.9
298.27423	5.1
304.26196	2.9
317.17807	30.0
322.27356	12.9
335.18930	86.0
340.28445	100.0
353.20032	21.4
354.65210	3.6
358.29355	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90990	3.5
55.05520	8.9
56.05045	8.9
60.04514	7.6
63.26856	3.4
64.19886	4.2
67.05504	7.8
69.03414	4.4
69.07077	4.7
69.25768	3.8
71.08628	6.5
71.28490	4.4
74.06090	32.3
79.05507	7.4
80.05038	5.4
81.07051	16.8
81.78844	4.6
83.08629	6.3
84.04502	57.7
86.06063	72.8
94.06502	5.1
95.08603	24.9
97.10181	7.1
98.06042	6.2
102.05549	52.0
107.08582	6.0
109.10117	5.7
113.06004	54.6
121.10068	5.1
124.07582	6.2
125.09689	9.5
142.08603	5.0
198.20110	5.4
304.26602	6.1
322.27368	8.7
323.25418	5.9
340.28394	100.0
358.29605	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
56.05032	4.1
57.07078	3.9
60.04519	12.4
61.39777	1.6
67.00917	1.7
67.05502	20.2
69.07063	9.3
71.08620	3.7
72.04511	30.2
74.06078	4.1
76.03994	12.1
79.05475	10.1
81.07066	15.7
83.08631	15.3
84.04503	12.8
86.06068	16.0
88.03974	13.5
91.05478	2.8
93.07037	11.3
95.08607	23.9
97.10175	4.4
97.63304	2.2
99.80502	2.0
100.36767	2.4
102.05537	9.5
102.61573	1.9
107.08559	8.4
109.10146	8.2
118.05000	31.8
118.49500	2.1
121.10113	14.4
128.58513	2.1
135.11719	3.3
277.66205	2.1
294.27866	2.7
322.27591	4.1
340.28445	45.3
358.23380	3.7
358.29453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25751	4.2
55.05516	5.3
57.07076	30.5
62.70745	3.8
66.86990	4.0
67.05506	48.6
69.07056	33.6
71.04990	18.9
71.08618	6.9
79.05495	19.4
81.07056	83.8
83.04916	5.9
83.08621	18.6
85.02912	9.3
85.06544	28.3
91.05486	6.3
93.07040	29.7
95.04980	7.3
95.08611	68.0
97.06514	9.6
97.10165	7.0
99.08052	6.3
100.28648	5.0
105.07065	5.8
107.08575	8.1
109.10151	39.1
111.08107	5.0
119.08552	9.1
121.10153	34.6
123.08058	4.5
123.11704	8.2
125.09657	5.8
127.11182	8.0
133.10120	10.3
135.11693	31.4
139.11185	11.5
147.04362	5.4
147.11682	31.8
149.13298	6.0
153.12790	9.9
163.11143	5.9
165.12743	25.0
172.13303	7.4
179.14211	8.1
182.15565	5.3
183.13728	6.7
198.14896	26.0
200.16457	100.0
201.14893	5.8
202.14299	6.0
216.15935	26.6
250.01584	5.0
287.23654	5.9
290.44800	5.3
305.24756	27.0
322.27316	42.0
340.27960	6.1
341.26886	9.3
358.29520	78.7
358.44730	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	3.9
70.06591	5.8
71.08625	2.4
75.34809	0.4
81.43539	0.4
85.10189	0.7
85.54996	0.5
88.07124	0.7
88.07631	14.6
93.40022	0.4
97.46057	0.4
102.09190	3.9
106.08672	12.1
167.33176	0.5
231.73758	0.5
314.34067	1.7
340.35785	11.1
358.36765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20613	7.2
50.85775	7.6
63.87499	9.0
78.19330	8.7
79.73627	9.8
159.80573	9.7
177.00966	12.2
178.01030	12.6
203.02455	59.8
204.02621	64.5
212.28352	10.8
219.01956	19.4
219.03955	56.3
221.01869	12.4
229.02319	17.0
241.03963	13.2
245.03554	15.5
246.03679	44.1
247.03383	63.7
257.79941	9.9
263.02902	18.3
271.03430	91.1
273.01324	22.2
285.02933	19.6
289.04239	14.5
291.02390	24.0
298.01666	12.6
313.02606	20.7
317.02072	19.7
318.02283	74.4
331.03491	36.1
335.01315	69.3
335.04901	26.6
336.01996	11.7
359.03036	52.4
377.05994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0753
Annotation	Linderoflavone A
Peak:m/z	Relative Intensity
50.66557	0.9
64.80569	0.8
64.80968	0.9
65.87914	1.0
68.88557	0.9
70.06068	1.0
76.49223	0.8
81.07084	1.0
86.72733	0.9
88.79005	0.9
95.08630	1.2
108.07359	0.9
113.83374	0.9
121.26747	1.0
123.11578	0.9
168.64656	1.0
184.36920	1.0
196.17218	1.0
225.47104	1.2
253.75716	1.0
295.12213	2.2
316.05923	7.5
344.05289	100.0
359.07614	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73506	1.0
55.05523	2.0
67.05508	3.3
68.13951	1.1
69.07104	3.9
69.95632	1.2
79.05486	2.6
81.07057	9.4
83.04977	2.0
83.08616	1.4
91.05470	2.2
93.07076	10.8
95.08616	3.4
104.15589	1.2
105.07052	3.2
107.08620	9.8
109.06528	1.5
109.10164	5.9
119.08585	4.9
121.10139	6.0
123.08053	1.9
125.09614	2.1
133.10149	5.4
135.08044	2.0
135.11670	2.0
147.11707	2.3
149.09666	2.3
196.07555	1.4
219.13719	1.6
239.30794	1.4
272.95703	1.3
276.06558	2.1
278.08038	7.8
280.09534	2.6
290.08066	5.5
291.08804	6.2
292.09711	1.5
293.78076	1.4
304.05978	3.3
305.06897	2.6
306.07590	22.8
307.08276	5.8
308.09137	56.5
309.09750	2.2
318.07629	5.5
319.08331	20.0
320.09076	2.7
322.10730	100.0
323.11401	20.7
334.07007	13.9
334.10733	59.4
336.08423	6.1
341.24765	2.8
349.09512	5.5
351.10992	56.3
359.18140	3.0
359.22217	8.4
359.25775	7.5
367.10495	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1325
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.45699	1.3
58.06590	2.4
64.19455	1.4
66.66027	1.3
91.05467	8.2
103.05479	1.9
105.91048	1.9
119.04942	30.4
131.04916	11.6
137.05975	14.0
147.03313	2.5
147.04417	44.0
149.05974	2.7
151.03908	2.9
151.07549	8.7
152.07919	2.0
157.03966	2.2
175.03894	84.1
175.07516	9.1
179.07011	3.1
187.07581	9.2
190.08598	13.8
191.09212	21.7
192.09732	15.8
207.06511	100.0
207.08464	3.4
208.09773	2.8
209.10143	3.6
248.08299	2.1
265.06592	2.0
270.08807	2.1
278.08942	12.5
279.10278	2.1
293.06335	3.8
295.08096	2.4
299.08560	1.7
308.08685	26.9
309.09525	6.8
310.10620	2.2
311.10959	3.3
316.68536	1.6
323.11093	8.1
341.11902	27.2
344.10861	6.0
352.60886	2.0
359.12955	17.1
359.16702	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
57.03452	0.9
58.06353	0.8
58.06609	13.9
59.06940	1.8
62.46331	0.8
69.03433	5.1
71.05011	6.3
72.08160	3.3
77.12051	0.7
81.03421	10.3
83.04969	1.1
85.02908	86.8
86.09692	4.0
97.02899	3.0
99.04460	100.0
109.02891	4.8
117.05492	33.7
127.03941	10.9
139.44051	0.8
141.05447	1.7
142.27364	0.7
145.04990	8.1
215.09128	1.6
243.08684	4.7
263.11356	0.9
314.11044	2.0
359.10657	3.9
359.12534	4.6
359.16846	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.8
55.01876	0.6
58.18525	0.3
69.03434	2.4
71.04999	0.7
73.02913	7.0
74.19724	0.3
81.03423	12.8
83.05004	0.4
85.02905	3.3
87.04465	0.4
97.02882	1.6
99.04456	100.0
109.02877	8.2
117.05505	0.7
127.03914	6.5
141.05457	8.4
145.04993	0.6
151.03911	0.4
180.23972	0.3
207.06575	3.6
225.07480	2.5
239.09192	0.6
243.08571	5.6
265.46863	0.3
323.11230	3.9
333.30756	0.4
341.12335	0.4
381.47299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1473
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
50.90321	1.5
50.99414	1.6
56.59454	2.0
57.68184	2.2
58.06597	2.0
58.40098	1.6
64.82301	1.9
89.68082	1.7
107.04958	3.0
111.04486	3.5
121.02876	13.3
125.06014	3.2
131.04947	4.1
149.02248	2.1
153.05447	5.0
165.07071	2.5
167.07091	3.0
175.07430	2.7
181.04955	13.5
195.08012	2.0
210.06822	2.1
210.37428	2.1
219.71365	2.1
221.09708	3.3
224.08351	2.1
225.08995	3.9
227.07156	2.6
237.09032	4.2
238.09801	7.7
239.07040	2.9
240.07808	11.9
249.09167	2.3
253.08522	29.1
253.12402	8.3
254.09299	4.2
255.10170	4.2
266.09442	8.8
267.06705	1.8
267.10034	3.2
269.08130	4.2
270.09012	4.5
281.08044	2.6
281.11752	7.9
283.09668	15.8
284.10416	3.8
295.09579	3.0
298.08588	3.4
299.12976	10.7
300.09964	10.8
309.11224	10.0
313.10715	35.8
313.14398	21.9
327.12335	40.3
331.15469	9.8
341.13934	9.0
351.84119	2.2
359.14914	100.0
383.82779	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
50.48026	1.2
54.28617	1.1
74.36964	1.1
79.05505	1.2
79.08521	1.1
81.07052	2.7
83.04991	1.4
92.21439	1.5
93.07090	2.0
95.04980	1.5
95.08640	1.5
99.04430	2.0
105.07043	2.8
107.04943	2.7
107.08556	1.9
109.10145	2.0
111.04435	6.2
111.30238	1.2
119.08594	2.1
121.02879	11.5
125.05983	6.4
133.10152	2.2
135.08018	1.4
135.11638	1.3
149.02271	1.2
153.05469	6.0
159.08064	1.9
161.09630	5.3
162.06790	1.8
162.34717	1.4
165.07037	1.3
167.07080	1.4
181.04984	9.9
195.08080	2.4
197.09509	2.0
202.07712	1.5
210.06715	1.9
212.08290	1.6
221.05865	1.3
221.09618	4.8
223.07576	2.3
223.11263	1.3
224.08470	1.8
224.48839	1.1
225.09024	2.1
227.10635	1.5
234.06793	2.3
235.07532	1.3
237.09140	7.1
238.09856	7.0
239.07066	1.8
240.07767	12.1
249.09097	2.7
251.07060	1.8
251.10713	1.6
253.08559	29.9
253.12250	7.1
254.09297	5.3
255.06242	1.8
255.10146	6.9
257.08047	2.6
265.08603	1.6
266.09338	6.6
267.10156	5.1
268.07318	2.7
269.08060	5.8
270.08884	2.1
271.13077	1.8
278.09787	1.4
281.08072	7.1
281.11719	8.1
282.08786	2.5
283.09625	12.4
284.10483	5.0
285.11206	1.7
295.09552	2.0
298.08371	5.3
298.11923	2.4
299.12802	13.8
300.09933	10.5
309.11215	6.6
310.11945	1.5
313.10681	32.9
313.14331	16.6
326.11453	2.4
327.12222	34.8
331.15570	8.8
341.13748	14.4
359.14856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
53.47445	1.2
55.01880	1.5
65.03940	1.3
76.19752	1.5
79.05494	1.9
92.21548	3.3
104.69208	1.8
107.04945	3.1
110.03673	3.2
111.04449	7.9
121.02879	7.9
125.05980	8.6
131.04959	2.2
136.58604	1.5
137.05997	7.7
148.83995	1.5
153.05496	8.8
161.05846	2.7
161.09596	2.9
167.07063	8.7
167.08369	1.7
177.05464	2.2
178.07776	1.7
181.04982	10.2
181.06421	2.4
195.08163	2.8
205.08606	2.1
213.09196	1.9
219.38701	1.5
221.09628	3.9
223.07532	1.5
225.09288	2.6
227.07019	2.5
227.79414	1.6
238.06297	1.8
238.09972	3.8
239.07149	2.8
240.07870	10.2
249.09081	6.4
251.07031	6.0
253.08623	20.2
253.12296	7.8
254.09413	2.6
255.10172	7.1
257.08237	3.0
266.09421	2.4
267.10208	2.0
268.07523	1.6
269.08289	3.4
270.08954	3.0
271.13165	1.7
281.08365	3.2
281.11758	3.6
283.09656	12.9
284.10172	2.1
285.11026	1.6
290.24554	1.7
295.09680	2.7
298.12048	3.7
299.09369	2.8
299.12857	10.5
300.09885	8.0
309.11121	3.3
313.10754	31.5
313.14404	12.6
326.11401	3.0
327.12256	21.4
331.15424	8.2
341.13815	9.6
359.11246	7.0
359.14926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
53.23203	1.4
54.83733	1.4
56.02956	1.6
56.96612	1.2
57.16020	1.3
64.58211	1.5
66.04226	1.6
79.05477	1.5
91.21671	1.6
95.08591	1.9
97.53358	1.7
104.06299	1.9
107.04977	2.7
112.90443	1.9
121.02898	13.5
125.06010	4.2
137.05984	4.0
144.54329	2.0
149.02390	2.0
151.07510	2.4
153.05498	1.8
159.08080	3.5
167.07016	2.4
181.04985	8.9
181.06438	1.9
195.08000	1.8
197.09651	2.4
221.06081	2.0
221.09641	8.2
223.07536	3.6
225.09135	7.4
237.09114	4.2
238.06227	3.1
238.09799	3.7
239.10506	2.1
240.07803	11.5
249.64127	1.7
253.08586	37.6
253.12317	6.8
254.09396	3.3
255.10217	7.7
266.09280	7.2
267.10254	2.7
268.07300	2.7
269.08029	4.1
270.08813	6.6
271.13278	2.6
281.08176	7.9
281.11841	10.2
282.08694	2.7
283.09555	14.0
284.10553	4.1
285.11206	2.5
297.11182	2.7
298.08423	2.8
299.12909	10.5
300.09985	4.1
309.11264	8.6
313.10715	28.0
313.14380	16.5
327.12296	41.6
331.15225	3.2
341.13934	14.4
359.14896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36054	1.3
50.71835	1.1
61.35401	1.2
65.11111	1.1
73.73873	1.3
81.35571	1.4
91.05462	2.0
95.08621	1.5
103.27850	1.3
103.57933	1.7
110.62846	1.3
115.21328	1.4
124.65130	1.5
137.05971	26.2
149.05998	3.3
161.05963	19.1
167.07037	2.0
175.07568	6.8
179.07071	3.3
179.08560	1.9
181.05011	1.8
187.68954	1.4
188.04698	6.2
191.07019	5.4
193.06480	10.1
199.07597	1.7
203.06999	13.6
207.08095	3.1
210.06827	3.5
221.05966	29.5
224.08348	3.5
225.09088	32.2
235.07603	2.8
238.06277	2.4
239.10760	3.1
249.09044	6.7
252.07806	2.1
253.08566	61.5
255.06262	2.1
267.10159	28.6
270.08835	6.9
275.09079	7.2
277.08624	12.3
285.11203	100.0
294.08813	3.2
295.09616	7.4
309.11099	15.6
312.09888	2.2
327.12244	90.4
359.10901	2.4
359.15240	15.2
359.28931	1.8
374.40134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
55.01883	1.8
57.03430	2.1
65.03936	1.4
67.05506	3.6
71.04971	1.6
77.69627	1.3
79.05499	2.1
81.07065	6.1
86.09718	5.9
86.64487	1.4
92.21484	2.0
95.04997	1.8
99.04450	8.2
107.04949	2.1
107.08596	2.6
109.10138	2.2
110.03658	2.7
111.04439	7.5
116.07086	16.3
121.02866	15.7
121.06509	1.7
121.10144	2.2
125.05984	3.5
133.10158	2.2
135.08000	2.0
137.06007	1.5
145.06505	1.6
145.10150	2.5
149.02333	2.9
149.09679	1.8
151.07436	1.8
152.06187	1.6
153.05482	7.6
159.08067	2.6
161.09599	2.9
166.56766	1.6
167.07037	2.3
181.04941	7.9
182.12592	2.0
183.07980	1.6
192.10925	1.6
195.08104	2.6
211.07530	2.4
221.09605	6.4
223.07567	5.2
224.08278	3.4
225.09111	6.5
237.09084	5.6
238.06250	2.4
238.09926	3.2
239.07074	2.1
240.07782	15.1
249.09062	2.6
251.07028	2.4
253.08591	38.1
253.12219	6.4
254.09386	6.4
255.06445	2.1
255.10097	13.0
257.07947	5.8
266.09399	6.0
267.06577	1.8
267.10101	6.8
268.07275	2.6
269.08160	2.7
270.08884	3.3
271.13181	2.0
281.08224	3.5
281.11710	10.0
283.09625	17.6
284.10443	8.3
285.11041	1.8
295.09576	2.4
297.11273	1.7
298.08389	6.2
298.11841	3.1
299.12741	12.2
300.09897	9.7
309.11142	10.2
313.10693	30.8
313.14365	22.4
326.11703	1.8
327.12216	41.7
331.15353	8.7
341.13748	10.6
359.14859	100.0
359.21707	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	58.3
59.06308	1.1
59.06943	9.5
72.08141	1.1
73.08452	0.9
88.07629	4.0
165.86958	0.8
218.06961	1.2
221.05844	1.2
222.06308	3.4
235.07431	1.0
236.07874	6.0
253.08789	1.1
254.08823	6.0
263.06976	4.3
264.07352	28.1
271.09085	1.3
282.08246	2.0
286.07947	3.5
286.11606	4.1
295.09515	1.3
296.10031	11.3
309.13092	3.3
314.11063	14.2
318.28497	0.8
341.15768	5.0
359.16785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23085	0.6
54.80041	0.6
79.09883	0.8
83.10638	0.6
88.82740	0.7
137.06007	1.2
137.74162	0.6
138.06363	0.8
149.05965	3.6
150.06310	2.4
151.07515	7.0
152.07878	5.4
176.06992	0.7
177.05476	1.5
178.05763	1.1
179.09361	0.9
180.10468	0.8
181.10503	0.8
185.35847	0.7
190.08633	16.3
191.09108	25.6
192.09769	17.4
193.10524	2.9
196.08391	1.7
208.09799	5.6
209.10046	5.8
234.75645	0.8
235.07292	0.8
236.07788	1.2
250.09442	2.8
268.10544	1.7
277.08783	0.9
278.08936	12.9
284.82657	0.8
295.09143	1.1
296.09991	1.5
309.13153	0.9
325.12671	1.2
326.13522	3.3
339.14090	1.0
341.15765	4.2
359.16809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	13.5
58.55331	0.7
59.06950	1.3
59.90941	0.7
63.69512	0.8
69.03432	1.0
72.57447	1.0
85.02895	1.3
86.09694	1.7
94.57373	0.9
97.46786	0.9
99.04456	6.7
101.66880	0.9
103.05452	1.0
117.05479	1.5
131.04939	1.6
137.05986	13.5
149.05965	1.9
151.07526	6.9
152.07889	5.0
157.06448	1.5
162.09132	1.1
163.07471	0.9
165.05299	1.0
175.07538	3.3
177.05502	2.1
178.05872	0.9
178.91412	0.9
187.07556	7.0
189.09195	1.0
190.08641	6.0
191.09053	12.5
192.09868	7.2
193.10506	3.5
203.08521	1.1
208.09702	11.2
209.10019	15.9
210.09840	1.2
227.12079	1.3
250.09451	1.8
260.07797	1.3
267.83380	1.0
285.09412	1.3
292.10403	4.2
310.11554	4.2
341.12155	1.6
341.15781	17.5
359.13062	8.4
359.16776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62885	0.6
58.06351	0.9
58.06609	17.8
59.06924	3.0
61.13141	0.7
65.74399	0.6
137.05992	1.2
138.06392	1.1
149.05963	3.2
150.06331	3.4
151.07553	6.1
152.07864	4.1
177.05423	0.9
177.07390	0.7
190.08609	12.3
191.09158	17.9
192.09761	13.0
193.10640	1.6
208.09657	5.3
209.10063	4.9
215.84868	0.7
236.07872	1.4
239.06973	0.7
240.07353	0.8
249.09241	0.8
250.09389	2.6
263.06833	0.9
264.07300	4.0
266.09003	1.0
272.10049	1.6
272.96384	0.9
278.08975	6.9
282.08478	3.4
296.10019	1.1
300.12988	1.0
309.13168	1.0
314.07892	0.8
314.10864	4.8
324.12180	0.8
325.12689	1.2
326.13474	3.0
341.15710	3.6
359.16776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73500	0.5
58.06608	5.2
59.06928	1.0
61.31572	0.6
66.83048	0.5
137.05913	1.0
138.06279	0.9
149.05910	2.1
150.06297	2.9
151.06468	0.9
151.07529	7.1
152.07855	5.5
167.07126	0.7
168.07394	1.3
176.07076	2.9
177.05473	0.7
177.07440	2.4
178.08498	0.7
180.10144	0.8
181.10533	1.0
188.07043	0.6
189.07753	0.7
190.08623	16.3
191.09050	26.0
192.09875	8.1
193.10649	1.2
195.08194	1.1
196.08391	0.7
207.08427	0.9
208.09792	1.2
209.09985	4.0
223.29929	0.7
225.29721	0.6
226.09525	0.7
235.07288	1.0
236.07845	1.0
249.09032	1.1
250.09505	5.5
268.10513	1.2
278.08905	8.1
279.09695	2.3
296.09644	0.7
298.11481	0.9
300.13019	2.4
309.13031	1.3
310.11407	1.1
325.12714	1.3
326.13373	3.4
341.15521	8.0
344.14468	0.7
358.70935	0.6
359.16730	100.0
359.20416	5.1
375.88086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23085	0.6
54.80041	0.6
79.09883	0.8
83.10638	0.6
88.82740	0.7
137.06007	1.2
137.74162	0.6
138.06363	0.8
149.05965	3.6
150.06310	2.4
151.07515	7.0
152.07878	5.4
176.06992	0.7
177.05476	1.5
178.05763	1.1
179.09361	0.9
180.10468	0.8
181.10503	0.8
185.35847	0.7
190.08633	16.3
191.09108	25.6
192.09769	17.4
193.10524	2.9
196.08391	1.7
208.09799	5.6
209.10046	5.8
234.75645	0.8
235.07292	0.8
236.07788	1.2
250.09442	2.8
268.10544	1.7
277.08783	0.9
278.08936	12.9
284.82657	0.8
295.09143	1.1
296.09991	1.5
309.13153	0.9
325.12671	1.2
326.13522	3.3
339.14090	1.0
341.15765	4.2
359.16809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
58.06605	9.7
61.02922	1.8
61.30570	1.3
63.15044	1.4
69.03438	5.7
73.05217	1.1
73.77383	1.1
76.48331	1.1
81.03413	2.9
82.19223	1.2
85.02908	30.4
93.07045	5.0
94.11212	1.1
97.02898	9.1
99.04448	7.7
103.05467	1.6
105.07030	1.3
107.08584	17.4
109.02879	6.1
123.04403	1.5
127.03899	3.1
131.04919	9.4
133.10124	14.1
135.11687	28.2
137.05978	16.8
151.03926	2.2
161.09599	13.0
163.07567	2.1
179.10675	47.4
188.22073	1.4
189.14833	1.4
192.10165	9.3
193.10471	12.7
197.11732	100.0
198.39786	1.2
278.08807	1.3
285.09290	2.6
293.26080	1.5
311.85959	1.4
359.12991	4.1
359.16898	25.6
359.21524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62885	0.6
58.06351	0.9
58.06609	17.8
59.06924	3.0
61.13141	0.7
65.74399	0.6
137.05992	1.2
138.06392	1.1
149.05963	3.2
150.06331	3.4
151.07553	6.1
152.07864	4.1
177.05423	0.9
177.07390	0.7
190.08609	12.3
191.09158	17.9
192.09761	13.0
193.10640	1.6
208.09657	5.3
209.10063	4.9
215.84868	0.7
236.07872	1.4
239.06973	0.7
240.07353	0.8
249.09241	0.8
250.09389	2.6
263.06833	0.9
264.07300	4.0
266.09003	1.0
272.10049	1.6
272.96384	0.9
278.08975	6.9
282.08478	3.4
296.10019	1.1
300.12988	1.0
309.13168	1.0
314.07892	0.8
314.10864	4.8
324.12180	0.8
325.12689	1.2
326.13474	3.0
341.15710	3.6
359.16776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99551	0.6
55.01883	0.7
55.05506	0.7
56.95127	0.6
56.95463	0.5
60.39832	0.6
61.40102	0.6
67.05511	6.6
69.07075	1.4
79.05509	1.4
81.07043	4.7
83.04977	0.8
91.05476	4.8
93.07050	3.9
95.04989	1.1
95.08051	0.6
95.08619	4.3
105.07031	2.9
107.08620	5.3
109.06554	1.3
109.10186	3.5
117.07008	3.0
119.08576	1.5
121.06512	1.1
121.10121	1.4
131.45564	0.6
133.10156	1.5
134.34459	0.8
135.08090	0.8
135.11705	0.8
136.52007	0.7
144.33211	0.8
145.10118	1.6
145.30835	0.6
147.11749	0.9
147.94308	0.9
149.13358	0.9
151.11172	0.7
155.08537	1.0
173.13223	0.8
175.15025	0.6
175.47617	0.6
178.45328	0.7
197.10797	2.8
222.09183	2.9
225.10127	4.7
234.09225	2.9
235.09938	0.9
236.10716	1.0
239.11725	1.1
240.12650	3.1
242.10423	1.6
253.09695	19.8
255.11195	1.4
256.11249	0.8
265.13464	3.3
267.11307	0.8
268.12067	32.3
271.13620	2.8
274.12207	1.1
277.21603	3.0
281.12921	1.6
284.10632	1.1
286.12415	0.9
286.15732	2.5
287.12863	0.9
288.13144	2.9
288.17038	0.7
291.11414	1.5
298.12177	5.9
299.13101	7.4
300.13785	2.9
301.13559	1.0
303.14816	2.5
306.07541	1.0
308.09183	3.8
314.15417	22.6
315.11545	1.1
316.15915	1.4
319.08212	1.0
322.10699	8.3
323.11462	1.0
329.12836	1.6
331.14447	9.9
331.18079	3.2
334.10776	5.5
341.21063	1.5
342.14807	6.8
343.14536	2.8
344.15332	3.6
351.11002	4.9
359.17578	100.0
359.22202	6.2
367.10651	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2187
Annotation	Bengamide E
Peak:m/z	Relative Intensity
51.13703	1.1
53.56360	1.0
54.50182	0.9
67.05511	2.6
79.05463	2.7
81.07056	2.3
86.18448	1.3
93.07051	5.8
95.08611	1.7
107.08594	2.7
109.06538	1.4
125.09609	2.7
135.08060	2.4
159.11655	1.6
275.09598	1.3
313.10919	2.3
322.10788	2.9
334.07336	1.8
334.10831	3.0
349.09473	1.2
359.10742	2.2
359.14694	5.7
359.21912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	xenovulene A
Peak:m/z	Relative Intensity
51.19891	1.4
55.05511	1.5
67.05510	2.2
69.07047	1.9
81.07047	8.4
82.86900	1.6
83.04968	2.2
85.06512	1.5
91.05502	2.7
93.07041	8.9
95.04971	2.8
95.08600	10.0
97.06517	8.5
99.04421	1.7
105.07027	10.1
107.08589	3.0
109.10153	6.8
111.08093	7.6
119.08582	7.6
121.06517	7.0
123.08077	8.2
125.09638	3.0
129.07004	2.9
131.08578	10.5
133.10117	3.5
135.08044	11.4
137.09630	2.5
139.07553	7.2
143.08539	8.1
145.10133	11.6
147.08063	1.7
147.11722	3.3
149.09576	2.2
155.08545	2.6
157.10127	9.4
158.43454	1.6
159.08078	6.5
159.11720	6.9
161.09612	2.2
163.11177	3.7
165.09094	1.8
166.73537	1.9
169.10118	3.0
171.11742	2.4
173.09627	9.0
173.13287	2.2
175.11171	3.2
181.10088	3.4
181.12321	1.7
185.09573	2.1
187.11124	2.0
190.05034	2.1
193.10324	1.8
195.11684	2.1
197.13174	1.8
199.11122	2.8
201.12762	3.2
207.11778	3.6
209.13327	2.5
217.12320	2.0
223.14819	5.6
227.12621	2.0
233.13188	1.7
240.12541	2.2
243.11249	3.0
248.15697	2.4
249.16364	7.9
252.14844	1.8
265.16046	5.5
267.11340	11.8
267.17374	3.5
281.18988	9.2
287.16309	3.1
289.01254	1.7
291.17401	7.2
295.11047	2.2
299.14038	2.4
309.12338	3.3
309.18433	37.6
322.10715	6.0
327.13373	17.9
327.19547	2.3
341.21182	12.6
359.15793	11.0
359.22116	100.0
359.25757	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2215
Annotation	Ferruginene B
Peak:m/z	Relative Intensity
67.05497	3.2
71.04990	3.8
72.52110	2.0
75.06536	2.0
79.05504	5.0
81.07071	8.8
82.71642	2.4
90.03557	1.8
91.05493	3.3
92.21559	1.9
93.07041	9.8
95.08616	5.0
100.96366	2.1
104.53504	1.9
104.97041	2.0
105.07043	15.0
107.04935	4.9
107.08594	8.9
113.30020	1.9
119.08572	8.3
121.06553	3.3
121.10117	2.3
127.79179	2.3
129.07028	2.8
131.08519	9.1
133.06375	2.2
133.10143	15.2
134.03662	3.0
135.08031	4.6
135.11646	2.9
143.08571	3.0
145.10139	3.9
147.08080	26.1
157.10132	4.0
159.08038	3.6
161.09586	18.7
162.03105	3.3
167.32945	2.2
169.10201	2.9
172.03908	2.5
173.09691	8.4
175.11197	21.8
181.10143	2.9
187.11177	2.8
190.05070	4.0
192.12692	2.4
207.11784	3.0
210.81369	2.3
233.13161	3.0
234.14020	2.6
247.14935	3.7
249.16368	5.2
265.15784	2.5
267.17429	14.0
272.21024	3.5
283.07358	4.5
291.17438	8.2
297.07086	5.2
297.57394	2.7
298.07785	3.6
299.20102	3.9
309.18509	20.5
312.07742	2.9
328.08850	9.2
341.21109	100.0
342.08704	5.3
350.10312	34.3
350.60187	8.2
359.06766	2.8
359.10767	13.0
359.14853	4.1
359.21902	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80083	3.3
55.05497	7.9
57.07079	83.4
60.88674	4.4
67.05501	25.1
69.07068	18.6
71.08643	65.1
81.07061	34.8
83.08630	23.0
85.10179	46.2
92.21549	4.9
93.07032	6.7
95.08591	61.9
97.10156	18.9
109.10171	21.2
111.11706	7.9
123.11715	6.1
137.13130	5.0
166.33020	4.5
188.67804	4.5
223.61766	4.3
230.51367	4.5
267.26846	33.3
285.27765	4.6
341.30557	100.0
359.29901	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3151
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05511	4.6
55.12947	2.2
56.09256	2.1
56.28394	2.1
57.03436	5.0
57.07080	100.0
62.09917	2.0
65.35400	2.3
67.05505	26.7
69.07067	14.4
71.08630	78.7
75.04456	2.6
81.07066	30.0
83.08624	23.0
85.10185	50.3
95.08598	52.2
97.10147	20.5
109.10145	18.2
111.11754	4.6
123.11710	14.3
132.74736	2.4
136.84323	2.3
137.13245	4.6
267.26797	31.1
325.51410	2.5
341.30472	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3153
Annotation	AKD 2A
Peak:m/z	Relative Intensity
51.07088	2.5
51.39243	2.5
55.05511	15.2
57.03436	5.0
57.07082	100.0
58.87618	2.6
62.17976	3.2
65.31426	2.3
67.05511	27.9
69.07072	20.6
69.82446	3.0
71.08630	83.7
81.07068	39.2
83.08624	20.0
85.10178	45.0
92.20878	3.3
95.08604	55.1
97.10158	21.1
109.10127	23.6
123.11667	6.9
129.09206	3.2
183.65977	3.4
249.25684	4.1
257.26529	5.8
267.26816	40.3
285.27835	4.0
290.14798	3.3
310.96896	3.4
341.30481	90.1
344.09073	5.6
359.11331	6.7
359.29318	4.4
359.33539	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3152
Annotation	AKD 2A
Peak:m/z	Relative Intensity
54.95152	4.8
55.05507	6.1
57.07085	99.1
61.97098	4.8
67.05502	25.9
69.07057	11.0
71.08636	70.4
77.31025	3.9
81.07060	34.8
81.40540	5.1
83.08623	31.2
85.10195	46.7
85.35405	5.7
88.91819	4.1
90.92450	4.8
91.55323	4.7
95.08617	57.9
97.10165	7.4
109.10128	22.8
111.11691	6.5
123.11739	19.3
135.43910	4.5
145.30753	5.3
147.48337	5.5
249.25806	6.2
267.26727	37.2
341.30487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42033	0.3
69.07067	0.4
84.94182	0.3
85.02964	0.4
92.20971	0.4
107.08589	0.5
135.50681	0.4
171.67171	0.3
191.86618	0.4
214.56812	0.4
238.33974	0.4
289.07278	1.7
317.06805	8.8
325.39255	0.4
332.09216	3.2
345.01990	0.8
345.06308	32.7
360.08640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02176	0.5
57.49668	0.5
57.87340	0.5
58.06594	1.0
59.60739	0.6
69.03439	0.7
72.08164	4.2
79.30582	0.6
85.02890	2.7
86.09711	1.5
96.54030	0.7
97.02893	1.2
99.04424	3.0
105.52141	0.7
121.06578	0.7
127.03908	2.4
129.97520	0.8
131.04858	1.3
137.05927	1.0
145.04965	0.7
149.05995	1.1
150.05505	0.8
151.07471	0.7
153.41020	0.6
163.07475	0.7
176.07014	0.8
177.16841	0.7
180.06422	0.8
180.10176	1.0
192.10196	3.9
198.07658	0.9
198.11259	1.1
208.09743	1.2
213.16019	1.0
216.12320	0.7
226.10831	0.8
226.37834	0.6
241.10982	1.0
244.11925	0.6
245.02240	0.6
256.09683	1.0
271.09631	0.7
272.09045	1.1
284.09161	32.4
285.09961	8.1
286.06973	0.7
286.10651	1.1
300.08557	2.6
301.09491	0.9
314.10233	47.6
315.45328	0.7
328.08118	2.3
342.09592	3.7
342.13477	4.2
360.10703	100.0
360.14478	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32607	0.3
55.05508	0.7
59.05035	0.5
59.91422	0.3
59.96556	0.4
60.97794	0.4
67.05507	1.7
69.07069	1.6
70.47636	0.5
71.04958	0.4
79.05494	0.5
81.03458	0.7
81.07048	2.5
83.08630	1.9
83.45755	0.4
85.02909	0.5
89.06004	0.4
91.05473	0.9
93.07059	1.9
95.04969	0.4
95.08620	2.3
97.06521	0.7
97.10103	0.5
105.07044	0.7
107.08596	0.8
107.71545	0.4
109.06562	0.5
109.10186	1.7
113.06002	0.5
118.25689	0.4
119.08601	0.4
121.06535	0.8
121.10117	0.8
124.81951	0.4
133.10141	3.0
135.11707	0.5
136.05383	0.4
151.11209	0.8
161.09645	0.6
164.07065	12.4
168.13869	0.8
196.13330	1.9
214.14413	0.7
227.12802	0.6
232.15425	0.7
299.09473	0.8
302.08179	0.9
315.08926	1.0
316.09686	27.7
325.20129	1.0
328.09555	4.7
330.07584	9.6
344.09164	51.1
345.09967	31.8
351.11093	0.5
360.12296	100.0
360.21539	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1229
Annotation	Crinasiatine
Peak:m/z	Relative Intensity
50.32607	0.3
55.05508	0.7
59.05035	0.5
59.91422	0.3
59.96556	0.4
60.97794	0.4
67.05507	1.7
69.07069	1.6
70.47636	0.5
71.04958	0.4
79.05494	0.5
81.03458	0.7
81.07048	2.5
83.08630	1.9
83.45755	0.4
85.02909	0.5
89.06004	0.4
91.05473	0.9
93.07059	1.9
95.04969	0.4
95.08620	2.3
97.06521	0.7
97.10103	0.5
105.07044	0.7
107.08596	0.8
107.71545	0.4
109.06562	0.5
109.10186	1.7
113.06002	0.5
118.25689	0.4
119.08601	0.4
121.06535	0.8
121.10117	0.8
124.81951	0.4
133.10141	3.0
135.11707	0.5
136.05383	0.4
151.11209	0.8
161.09645	0.6
164.07065	12.4
168.13869	0.8
196.13330	1.9
214.14413	0.7
227.12802	0.6
232.15425	0.7
299.09473	0.8
302.08179	0.9
315.08926	1.0
316.09686	27.7
325.20129	1.0
328.09555	4.7
330.07584	9.6
344.09164	51.1
345.09967	31.8
351.11093	0.5
360.12296	100.0
360.21539	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56180	0.9
53.89511	0.8
54.04528	0.7
55.31625	0.9
56.82526	0.9
58.06358	1.2
58.06607	21.2
65.08879	1.0
69.03419	1.7
70.06583	2.4
72.08152	2.4
81.03415	1.4
84.08131	1.9
85.02903	13.6
86.09692	2.5
92.11568	1.0
97.02891	1.6
98.06049	23.1
99.04430	4.8
108.04502	1.2
109.02927	1.4
110.13341	1.0
113.02382	4.2
119.04932	1.9
121.06466	2.3
127.03931	4.0
131.04900	1.3
135.04388	4.4
137.05945	11.5
143.82310	1.1
145.02827	4.8
145.04906	1.5
147.04402	18.3
153.05486	1.3
163.03893	100.0
163.07510	1.5
164.07059	1.8
165.05452	1.7
178.08543	1.1
180.10190	1.6
181.03471	1.6
181.04964	33.2
181.38153	1.1
196.09688	4.9
198.11266	1.4
245.08112	1.2
262.10669	1.3
297.07495	1.3
317.50113	1.3
342.13220	4.4
360.10236	2.4
360.14200	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56180	0.9
53.89511	0.8
54.04528	0.7
55.31625	0.9
56.82526	0.9
58.06358	1.2
58.06607	21.2
65.08879	1.0
69.03419	1.7
70.06583	2.4
72.08152	2.4
81.03415	1.4
84.08131	1.9
85.02903	13.6
86.09692	2.5
92.11568	1.0
97.02891	1.6
98.06049	23.1
99.04430	4.8
108.04502	1.2
109.02927	1.4
110.13341	1.0
113.02382	4.2
119.04932	1.9
121.06466	2.3
127.03931	4.0
131.04900	1.3
135.04388	4.4
137.05945	11.5
143.82310	1.1
145.02827	4.8
145.04906	1.5
147.04402	18.3
153.05486	1.3
163.03893	100.0
163.07510	1.5
164.07059	1.8
165.05452	1.7
178.08543	1.1
180.10190	1.6
181.03471	1.6
181.04964	33.2
181.38153	1.1
196.09688	4.9
198.11266	1.4
245.08112	1.2
262.10669	1.3
297.07495	1.3
317.50113	1.3
342.13220	4.4
360.10236	2.4
360.14200	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67375	0.6
58.06599	1.5
61.12093	0.6
62.41541	0.6
72.08137	0.7
85.02892	1.0
85.14534	0.7
86.09706	8.5
183.11349	1.1
226.08618	1.5
240.10155	4.4
241.08496	1.8
241.10962	49.9
243.13458	1.6
244.09599	4.8
255.12440	5.7
256.09747	1.3
256.13266	6.6
265.07813	1.4
269.10474	26.0
273.09927	14.0
277.81967	0.7
282.11221	8.8
284.12814	100.0
306.33167	0.9
360.14203	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80835	0.8
57.70718	0.8
58.06610	41.6
58.97965	0.7
59.96251	0.8
74.54340	1.0
76.71796	0.9
85.02930	1.1
121.06500	1.5
123.04445	1.2
127.03857	1.2
163.07524	1.1
175.07501	1.1
181.04799	1.1
223.03952	1.9
236.55899	1.0
253.08640	5.8
255.04271	1.0
255.06491	46.1
297.07559	5.9
300.06265	26.0
315.08624	100.0
329.30093	1.0
350.84177	1.2
360.14374	66.2
360.23843	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Lutessine
Peak:m/z	Relative Intensity
56.06411	1.0
58.06605	97.2
67.60110	0.8
78.87765	0.8
84.27598	0.8
117.91680	1.1
144.23228	1.0
162.82819	1.0
193.06528	1.6
211.07544	2.1
213.05511	1.3
237.05486	1.9
241.04977	16.0
245.04457	10.6
255.06502	5.0
269.08008	1.8
287.05563	4.4
315.08636	18.9
359.21332	1.0
360.14407	100.0
360.23917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.5
60.26122	0.6
89.26297	0.7
91.83330	0.6
110.16197	0.6
116.64200	0.6
197.05902	1.0
223.03909	1.6
238.06212	0.9
241.04955	1.3
242.39226	0.6
253.08566	5.9
255.06499	41.6
297.07620	3.9
300.06281	21.6
315.08606	100.0
360.14417	45.9
360.18933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06348	0.6
58.06607	8.5
72.08146	0.7
72.89090	0.5
79.08208	0.5
86.09708	0.6
92.20935	0.8
103.26546	0.5
119.00861	0.6
137.67473	0.6
184.93222	0.6
223.03845	3.0
225.09190	0.6
229.08627	1.0
238.06178	1.0
241.04816	0.9
253.08551	5.4
255.06505	47.8
297.07581	4.5
300.06265	27.3
310.10822	0.8
315.08615	100.0
360.14337	49.3
360.18753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67375	0.6
58.06599	1.5
61.12093	0.6
62.41541	0.6
72.08137	0.7
85.02892	1.0
85.14534	0.7
86.09706	8.5
183.11349	1.1
226.08618	1.5
240.10155	4.4
241.08496	1.8
241.10962	49.9
243.13458	1.6
244.09599	4.8
255.12440	5.7
256.09747	1.3
256.13266	6.6
265.07813	1.4
269.10474	26.0
273.09927	14.0
277.81967	0.7
282.11221	8.8
284.12814	100.0
306.33167	0.9
360.14203	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Lutessine
Peak:m/z	Relative Intensity
50.87767	0.5
58.06608	100.0
151.07492	1.0
171.59114	0.7
175.07582	0.9
193.06572	1.2
196.05264	0.5
211.07590	0.6
213.05565	2.0
221.96223	0.6
227.07054	1.3
237.05505	1.3
241.04921	11.0
243.15163	0.7
245.04411	12.5
255.06490	4.0
265.04919	0.7
269.08099	1.1
283.06110	0.7
287.05487	5.2
293.39590	0.6
297.07791	1.0
312.41653	0.6
315.08563	11.5
342.22955	0.7
360.14401	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06411	1.0
58.06605	97.2
67.60110	0.8
78.87765	0.8
84.27598	0.8
117.91680	1.1
144.23228	1.0
162.82819	1.0
193.06528	1.6
211.07544	2.1
213.05511	1.3
237.05486	1.9
241.04977	16.0
245.04457	10.6
255.06502	5.0
269.08008	1.8
287.05563	4.4
315.08636	18.9
359.21332	1.0
360.14407	100.0
360.23917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.5
60.26122	0.6
89.26297	0.7
91.83330	0.6
110.16197	0.6
116.64200	0.6
197.05902	1.0
223.03909	1.6
238.06212	0.9
241.04955	1.3
242.39226	0.6
253.08566	5.9
255.06499	41.6
297.07620	3.9
300.06281	21.6
315.08606	100.0
360.14417	45.9
360.18933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79526	0.9
53.03920	1.2
54.70876	0.9
56.34363	0.9
58.06605	11.7
60.84954	1.0
66.64279	0.9
73.02896	1.2
78.63359	1.0
81.03410	1.5
99.04454	9.8
100.04788	2.5
114.22968	1.1
120.80789	1.2
121.84957	1.2
141.75801	1.2
192.83362	1.5
208.19328	1.3
218.08418	1.4
218.10692	1.1
223.03941	1.6
241.04837	1.3
253.08627	6.0
255.06502	49.9
260.45670	1.3
261.00082	1.2
297.07675	5.2
300.06256	22.4
315.08627	100.0
342.01279	1.3
353.54248	1.2
360.10562	3.1
360.14334	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57973	0.5
54.72139	0.6
58.06608	5.8
80.07778	0.6
92.68808	0.7
100.74980	0.7
134.78279	0.7
155.80522	0.8
158.97498	0.7
197.05981	0.9
223.03906	1.1
229.08644	0.8
234.99014	2.8
238.06148	1.1
241.04936	2.8
253.08492	5.0
255.06497	44.1
297.07581	3.2
300.06253	26.0
315.08609	100.0
316.14636	0.7
319.07288	0.9
320.44455	0.8
360.02695	7.4
360.14343	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	26.7
70.06565	1.2
72.08160	0.9
85.02883	1.2
87.04463	1.2
92.21632	1.1
99.04465	4.9
100.04765	1.5
109.02865	1.1
121.06500	1.2
125.76852	0.9
127.03886	1.4
130.08670	1.9
135.86342	1.0
156.06584	1.1
168.96947	1.0
179.10649	1.2
180.11029	1.3
180.47641	0.9
197.11725	3.8
198.12091	6.8
221.06006	1.4
241.04922	1.3
244.08777	0.9
253.08572	5.7
255.06531	34.8
293.54501	1.2
297.07568	3.8
300.06244	23.1
313.08429	1.1
315.08615	100.0
342.22910	1.2
360.14352	61.0
360.23730	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	2.4
58.93111	0.9
60.38044	0.9
60.77217	0.9
61.27303	0.9
67.02168	1.1
67.35016	1.0
69.03432	1.6
71.00771	0.9
72.08156	2.4
84.08143	1.1
85.02917	6.6
86.09707	5.9
101.10272	1.0
127.03929	5.2
137.05997	4.4
140.73831	1.3
145.04953	4.8
149.06003	1.3
150.05508	1.3
151.03911	6.2
151.07556	5.5
176.07108	1.5
179.03397	1.9
180.10231	1.5
190.08711	1.3
192.10187	36.3
206.08313	1.5
208.09708	8.1
211.07574	5.7
239.07076	5.6
240.06503	2.0
241.10985	1.4
253.08487	2.3
271.09622	10.9
283.09634	5.1
284.09164	34.2
285.10010	6.4
293.08035	1.8
296.09015	1.3
297.07779	1.4
311.09030	1.1
314.10269	51.4
314.13843	6.4
327.11145	1.4
342.09665	3.8
342.13290	39.2
360.10654	90.4
360.14478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.2
56.05040	32.3
57.03444	3.5
59.28376	1.7
61.02926	2.7
62.40841	1.6
65.54816	1.9
65.59499	1.7
68.02503	2.0
69.03444	26.6
70.06595	8.4
73.02927	3.2
81.03417	8.2
84.08151	3.5
85.02911	100.0
96.04488	2.4
97.02900	36.7
99.04464	10.4
101.02419	3.9
102.05572	2.3
109.02839	7.6
112.05074	2.8
115.03930	5.0
127.03912	69.6
139.05046	10.8
145.04974	52.4
152.06955	4.8
163.06015	15.4
180.06595	3.1
181.04967	10.2
198.07547	15.8
207.20134	2.0
223.07133	9.6
270.10788	8.7
277.08252	2.3
294.10910	2.4
324.11667	3.6
342.11816	9.3
350.06281	2.5
360.12845	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.9
56.05051	1.3
57.03448	3.0
58.06612	2.4
61.02936	2.6
61.58468	1.2
67.02242	1.2
69.03434	22.2
70.06596	3.0
70.28229	1.4
72.04524	5.0
73.02914	6.6
80.49332	1.2
81.03412	4.9
85.02910	100.0
86.09706	1.6
97.02895	31.8
99.04469	9.6
101.02388	2.8
106.00811	1.1
109.02876	5.4
110.07188	5.1
115.03943	5.3
121.06515	18.2
127.03916	80.0
130.05083	1.3
137.05989	6.5
138.06334	2.6
138.09142	2.6
144.24452	1.2
145.03833	2.2
145.04958	56.7
147.04442	1.2
148.04681	1.4
163.06012	18.2
167.07027	2.4
168.07297	1.7
180.07295	1.5
180.08662	5.3
198.07500	1.3
198.09593	1.3
241.55280	1.3
245.09109	12.5
271.10764	2.3
278.25464	1.2
289.09384	1.7
314.10504	1.4
316.12753	1.6
318.99472	1.4
343.09070	1.7
360.07724	1.7
360.11374	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43040	0.4
58.06605	0.9
60.16820	0.3
61.02906	0.5
69.03398	0.5
84.82373	0.3
85.02895	4.8
89.22789	0.4
97.02902	0.6
103.05473	13.1
103.11058	0.4
103.49265	0.4
127.03951	0.6
131.04930	100.0
145.05000	0.7
147.26074	0.4
160.44934	0.4
163.07538	37.1
168.88197	0.4
177.09045	0.5
180.08759	0.5
181.08641	0.5
199.81891	0.4
279.80606	0.4
315.23251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99744	2.5
55.01881	4.9
55.05497	5.0
56.13852	2.0
57.09260	2.2
57.28922	2.0
58.06596	17.3
59.37243	2.0
69.03424	2.8
71.04989	3.2
72.08160	100.0
81.03436	17.7
82.06573	4.6
82.95634	2.2
83.05004	2.7
84.08152	25.6
85.02919	22.2
86.09715	56.5
87.03165	2.2
91.12054	2.2
95.04942	2.7
95.47863	2.4
97.02888	29.2
99.04463	41.7
103.03297	2.3
108.04500	4.2
109.02888	4.6
110.06002	5.0
111.04462	4.2
112.03975	10.1
114.09137	4.8
118.08649	5.2
120.04456	29.4
124.03960	3.8
125.04735	55.4
126.09155	11.3
127.03880	19.2
128.60298	2.7
130.08649	4.2
138.05504	16.0
142.04961	3.0
142.08565	2.5
143.05774	11.2
145.04979	10.1
148.06032	9.7
150.09152	3.8
152.10704	5.0
154.08620	3.9
160.25287	2.7
162.09140	5.8
164.10742	5.2
171.29079	2.5
172.09576	3.0
180.08675	3.6
180.10185	66.4
181.08554	12.1
184.09648	3.0
185.16454	19.9
190.08635	3.0
196.95314	2.9
198.11209	32.2
208.09671	35.0
213.09055	2.8
213.15892	22.8
216.12289	39.5
226.10779	25.4
241.08698	4.7
244.11778	25.3
252.99252	2.6
254.05618	3.5
261.14328	4.2
262.12766	15.5
269.08084	23.9
270.74213	2.6
284.09244	5.5
286.07013	4.6
297.07562	4.6
300.08710	17.7
314.10199	10.6
314.15955	9.9
316.12015	4.0
319.04913	3.5
324.14511	4.8
328.08167	14.6
342.15530	92.6
360.10498	74.7
360.15436	38.4
360.16241	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
53.29983	0.9
53.85041	1.2
57.03433	1.5
58.06609	19.3
69.03417	2.1
70.06584	2.8
71.04999	2.0
72.04520	2.1
72.08180	1.7
79.05503	1.4
80.05041	1.1
81.03414	9.4
82.06591	1.9
83.05008	2.1
84.08163	1.7
85.02913	6.6
87.04470	1.6
97.02895	2.7
99.04461	30.6
105.07027	1.8
106.06544	2.2
110.06045	8.6
111.04410	2.2
120.08077	1.5
121.06482	1.9
124.07610	2.9
127.03890	4.4
128.07097	1.8
129.05525	2.9
140.07069	2.6
144.08072	1.6
145.05042	2.1
146.08104	5.7
150.09140	2.3
151.07585	1.6
152.07072	37.4
154.08621	1.7
161.06036	2.3
162.09123	6.7
166.08649	11.3
166.49168	1.1
175.02759	2.0
178.08578	1.3
179.06993	5.1
180.01163	1.8
180.06615	1.5
180.10141	9.9
190.08549	2.5
192.10225	5.5
196.09647	5.3
197.08066	2.1
198.07657	2.9
198.11243	7.6
208.09761	15.8
216.12239	5.0
217.03841	2.8
226.10768	22.4
244.11784	18.8
245.09261	1.5
262.12872	5.0
319.07010	7.0
324.14371	1.3
327.40228	1.9
337.07999	7.8
342.15659	6.4
360.16818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10120	1.1
55.15825	1.0
56.05048	1.1
58.06608	61.0
59.06308	1.4
59.06955	12.4
70.06594	4.8
72.08162	23.9
72.08540	1.4
73.08529	1.4
83.06116	1.8
84.04534	7.2
84.08163	2.2
84.30013	1.2
84.84760	1.3
85.02926	2.5
85.60330	1.1
86.09713	39.0
87.10061	1.9
88.07635	1.8
94.87527	1.0
97.02930	1.4
102.05563	7.8
107.04980	1.4
116.07109	1.4
118.08675	6.3
119.31600	1.3
120.08121	1.6
125.46858	1.3
127.03880	1.5
129.06624	2.9
130.05086	1.3
132.10202	9.2
137.05910	1.4
148.07570	17.6
163.03993	7.9
167.31038	1.4
170.11752	1.2
176.45735	1.3
177.70158	1.2
181.05119	2.4
181.08624	1.6
182.12949	1.5
183.11388	8.2
183.13054	1.2
194.08182	2.8
197.12943	5.7
201.12352	2.7
213.16019	2.0
214.08690	2.1
215.14032	8.2
221.05672	1.3
223.06754	1.9
230.34892	1.2
237.08264	2.6
242.21780	1.3
243.13403	2.2
254.09094	1.5
255.09100	1.9
263.07025	2.6
264.07401	6.9
265.07590	14.8
283.08969	2.0
287.08533	2.2
287.11868	2.3
296.10245	1.6
297.10077	9.3
314.10690	3.0
315.07602	2.1
315.11121	11.3
342.16293	2.4
342.20215	1.2
360.10681	20.6
360.17291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.17
Annotation	Enrofloxacin
Peak:m/z	Relative Intensity
55.10120	1.1
55.15825	1.0
56.05048	1.1
58.06608	61.0
59.06308	1.4
59.06955	12.4
70.06594	4.8
72.08162	23.9
72.08540	1.4
73.08529	1.4
83.06116	1.8
84.04534	7.2
84.08163	2.2
84.30013	1.2
84.84760	1.3
85.02926	2.5
85.60330	1.1
86.09713	39.0
87.10061	1.9
88.07635	1.8
94.87527	1.0
97.02930	1.4
102.05563	7.8
107.04980	1.4
116.07109	1.4
118.08675	6.3
119.31600	1.3
120.08121	1.6
125.46858	1.3
127.03880	1.5
129.06624	2.9
130.05086	1.3
132.10202	9.2
137.05910	1.4
148.07570	17.6
163.03993	7.9
167.31038	1.4
170.11752	1.2
176.45735	1.3
177.70158	1.2
181.05119	2.4
181.08624	1.6
182.12949	1.5
183.11388	8.2
183.13054	1.2
194.08182	2.8
197.12943	5.7
201.12352	2.7
213.16019	2.0
214.08690	2.1
215.14032	8.2
221.05672	1.3
223.06754	1.9
230.34892	1.2
237.08264	2.6
242.21780	1.3
243.13403	2.2
254.09094	1.5
255.09100	1.9
263.07025	2.6
264.07401	6.9
265.07590	14.8
283.08969	2.0
287.08533	2.2
287.11868	2.3
296.10245	1.6
297.10077	9.3
314.10690	3.0
315.07602	2.1
315.11121	11.3
342.16293	2.4
342.20215	1.2
360.10681	20.6
360.17291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Leu Glu Val
Peak:m/z	Relative Intensity
58.06606	6.1
60.38033	0.7
62.59765	0.6
69.07066	3.5
72.08150	6.3
84.04508	7.7
85.02960	0.8
86.09709	100.0
95.38304	0.7
102.04982	0.8
102.05554	8.8
118.08665	9.7
131.04909	1.2
137.05998	1.4
138.06401	1.2
148.07588	0.9
163.07408	1.0
170.11769	0.8
182.57054	0.7
183.11284	20.6
189.03357	0.7
206.11821	1.0
211.10878	1.0
215.13933	17.8
229.11812	14.1
230.61133	0.8
243.13388	37.1
247.12848	4.4
319.09283	1.4
360.14386	3.4
360.21182	7.2
384.12231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69577	0.4
55.05515	2.0
63.62938	0.4
67.05493	0.7
69.03425	1.6
69.07064	2.2
73.37908	0.4
79.05494	0.6
80.57351	0.4
81.07069	2.2
83.08626	1.0
91.05475	0.5
93.07034	0.8
95.08612	3.2
95.18534	0.4
99.04447	0.5
107.08602	0.9
109.06512	0.5
109.10177	0.5
119.08564	0.6
137.05965	0.7
149.05988	0.9
162.05424	0.7
164.07056	26.2
175.07520	2.0
177.07837	16.5
178.08662	2.0
181.08693	0.4
342.20432	1.4
358.20099	5.6
360.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2168
Annotation	Comosivine
Peak:m/z	Relative Intensity
52.69577	0.4
55.05515	2.0
63.62938	0.4
67.05493	0.7
69.03425	1.6
69.07064	2.2
73.37908	0.4
79.05494	0.6
80.57351	0.4
81.07069	2.2
83.08626	1.0
91.05475	0.5
93.07034	0.8
95.08612	3.2
95.18534	0.4
99.04447	0.5
107.08602	0.9
109.06512	0.5
109.10177	0.5
119.08564	0.6
137.05965	0.7
149.05988	0.9
162.05424	0.7
164.07056	26.2
175.07520	2.0
177.07837	16.5
178.08662	2.0
181.08693	0.4
342.20432	1.4
358.20099	5.6
360.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36752	2.6
55.05515	15.1
57.03440	6.0
67.05510	51.2
69.07072	27.3
71.04997	100.0
79.05494	59.8
81.07063	63.8
83.08607	21.4
85.06518	3.4
91.05473	21.6
93.07034	90.8
95.04959	3.8
95.08624	30.3
97.06528	17.9
97.10171	17.5
99.08054	5.8
105.07025	24.8
107.08607	50.9
109.06494	7.6
109.10155	51.8
111.08068	6.5
113.09649	29.0
117.06973	15.9
119.08557	21.5
120.08105	17.5
121.10147	59.9
123.11707	7.4
125.09615	14.1
131.08556	17.1
133.10133	32.9
135.08020	7.0
135.11684	14.7
137.05994	4.1
138.84645	3.3
145.10152	8.7
147.11667	20.5
149.09639	7.8
149.13260	13.5
153.12743	38.6
155.10648	19.8
157.07671	3.4
159.11642	18.0
166.08533	4.6
173.11728	48.1
173.13141	5.9
177.12778	4.8
189.11218	7.5
195.13881	26.7
213.14822	41.1
235.16844	16.8
257.18942	6.0
267.19467	8.6
275.20059	73.6
293.21121	6.9
307.22729	14.7
360.16339	4.8
360.21945	6.9
380.89294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10222	3.4
52.59101	3.9
55.05518	29.6
57.88041	4.1
58.89515	3.5
59.04997	17.2
65.41228	4.3
67.05513	64.9
69.03419	5.3
69.07072	34.5
70.48914	3.5
71.04996	76.0
73.06539	3.7
79.05498	84.4
81.07054	40.1
81.35950	4.0
83.04973	5.7
83.08613	24.4
86.06065	4.5
91.05466	25.1
93.07042	79.8
95.08607	48.1
97.06484	16.4
97.10159	35.6
105.07030	24.7
107.08593	67.5
109.06532	8.9
109.10148	79.8
111.08092	10.0
119.08568	23.2
121.10150	85.0
123.11694	8.1
125.09663	39.5
131.08595	5.6
133.10159	21.9
137.09633	8.0
147.11703	7.1
149.09619	8.9
153.12746	71.2
155.10628	43.1
156.94576	4.2
173.11746	100.0
173.13182	7.4
189.11250	26.7
217.10201	4.7
257.18762	7.4
275.20004	70.0
293.21027	18.1
360.21896	19.4
375.32828	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67728	2.7
55.05514	13.3
57.07084	27.7
67.05510	55.4
69.07073	37.2
71.08621	6.0
79.05513	6.8
81.07064	100.0
83.04993	4.8
83.08636	25.1
85.06532	6.9
85.10167	5.0
86.57523	3.2
91.05511	3.1
93.07046	25.7
95.08603	98.8
97.06555	4.1
97.10167	16.3
99.08085	8.3
105.07003	6.7
107.08593	17.6
109.10162	45.4
111.08078	6.2
119.08562	16.6
121.10162	21.1
123.11689	14.5
125.09673	3.5
127.11170	3.9
131.08577	7.2
133.10103	14.9
135.11658	23.6
136.06798	3.8
137.13289	5.6
147.11656	13.8
149.13246	8.0
161.13206	5.4
163.14735	4.8
167.82396	3.3
173.13237	5.6
179.14352	5.0
200.16469	21.6
214.18021	15.0
228.19571	5.8
242.21257	4.1
289.25116	5.5
306.27875	21.0
307.26337	83.9
308.09232	3.8
309.09711	5.5
322.10834	4.9
323.10947	17.0
324.11407	5.6
324.28937	88.2
334.10699	4.7
335.11124	13.3
342.30005	18.4
352.11194	8.1
360.31006	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51836	1.6
51.69207	1.8
53.96433	1.6
54.24017	1.8
55.05527	5.0
56.05040	2.5
56.09500	1.8
57.07081	10.3
58.06597	1.9
58.94652	1.7
60.04243	3.4
60.04532	90.5
62.70834	1.6
67.05508	8.0
69.07059	11.4
71.08635	3.5
72.04517	4.0
75.05238	1.8
79.05505	8.1
81.07051	8.1
82.06579	4.0
83.04983	3.2
83.08604	4.0
86.00450	1.9
86.06077	16.9
93.07053	10.6
95.08604	8.5
97.06526	2.6
97.10188	3.2
102.05547	10.9
104.64295	2.4
107.08611	4.6
109.10155	4.8
135.11700	3.5
246.90288	2.2
252.26833	7.9
264.26819	57.6
265.25195	11.2
270.27737	3.4
282.27905	70.2
293.05072	2.3
300.28937	3.0
306.27838	2.7
324.29062	18.3
342.30042	100.0
360.17969	9.7
360.31027	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08015	8.3
55.05515	10.5
56.04958	8.6
56.55899	9.6
57.07067	47.0
67.05503	81.1
69.07065	50.0
71.14479	8.1
79.05496	15.1
81.07061	100.0
83.08610	19.5
85.06535	13.4
93.07033	23.7
95.08600	92.8
97.06516	14.4
101.09631	13.7
104.56889	10.5
105.07021	11.2
106.49077	10.1
107.08607	20.4
109.10166	22.1
111.08043	10.5
123.11620	10.8
127.11226	12.0
133.10144	13.1
135.11664	42.2
147.11641	12.8
178.04788	10.3
200.16536	19.4
265.72543	10.9
292.52008	12.8
293.21106	13.7
307.26172	82.4
324.28925	95.5
342.29404	12.7
360.25473	19.6
360.30923	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.5
57.07071	29.6
57.64423	5.2
67.05498	72.7
69.07072	39.8
71.05000	7.7
71.08630	26.6
79.05489	22.6
79.51520	5.3
81.07058	100.0
83.08611	27.7
85.06553	23.1
85.10118	6.4
91.05478	22.6
93.07052	27.8
95.08602	83.2
97.06496	11.6
97.10163	11.5
103.85807	6.2
105.07068	7.3
107.08592	24.3
108.08959	5.5
109.10153	35.7
119.08616	5.7
121.10129	37.0
123.11701	31.9
133.10120	25.3
135.11699	33.8
139.11189	7.1
147.11720	9.9
149.13298	8.5
169.12183	5.7
182.89558	5.9
186.14879	28.7
200.16399	9.6
306.27805	7.5
307.26221	71.2
324.28882	81.1
342.30020	9.8
360.25610	31.3
360.31116	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3264
Annotation	Pachyaximine A
Peak:m/z	Relative Intensity
50.46990	2.4
57.07074	14.0
57.57045	3.1
68.62658	2.7
69.24942	2.5
71.08636	5.7
83.99255	2.9
85.10208	6.3
91.78715	2.6
96.11166	3.1
97.10247	3.4
105.07030	100.0
106.91922	2.8
109.10095	3.7
122.09659	26.6
125.83915	3.1
209.28433	2.9
282.93475	2.9
303.22128	4.5
332.24631	3.3
342.30685	4.8
360.32602	66.6
381.55685	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0893
Annotation	Nitrovin
Peak:m/z	Relative Intensity
53.03955	1.4
55.01872	1.6
55.05520	3.1
72.08147	6.4
81.03452	2.2
83.04993	11.6
84.08153	2.6
85.02909	6.8
86.09693	2.2
99.04465	18.0
101.06002	2.1
121.04768	2.0
125.04702	2.3
138.05452	1.8
180.10248	2.2
181.10614	2.6
198.11176	1.6
199.11659	2.7
227.11122	2.2
244.11966	1.7
343.15720	9.7
361.04324	3.5
361.08896	100.0
361.13086	5.1
361.16772	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09077	1.6
55.05515	11.9
58.06608	29.2
59.06939	12.2
67.69843	1.6
69.03416	3.8
70.06587	1.9
74.07783	1.9
81.03410	7.2
83.04995	24.2
85.02890	10.6
86.09711	3.4
97.02897	1.9
99.04470	31.7
119.06963	2.4
121.04591	1.9
143.02806	1.8
145.19397	1.8
188.07765	1.8
215.08159	4.0
257.09021	1.8
361.12585	100.0
361.17514	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.128
Annotation	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
Peak:m/z	Relative Intensity
55.05548	1.7
58.06615	2.5
63.09069	2.0
69.00437	2.0
89.58575	1.7
91.05491	4.3
107.04978	4.6
119.04949	13.9
124.12057	2.1
124.25423	1.8
125.33994	1.9
147.04446	26.5
151.03917	2.1
153.05533	2.1
154.06271	18.2
163.10976	2.4
167.07068	13.2
175.03918	10.2
179.07016	100.0
181.06468	10.0
190.04712	2.0
195.08046	8.0
198.06750	2.5
204.51758	2.0
207.06537	35.5
210.06818	2.5
213.09114	12.1
223.07559	7.7
226.06209	5.1
235.38373	2.2
241.08553	12.7
251.07039	3.1
254.05748	4.2
258.08826	5.1
268.07178	2.5
269.08069	13.3
271.05798	2.9
277.43234	2.3
283.05920	3.5
285.07495	2.7
286.08151	2.9
297.07571	8.6
300.09766	3.9
301.10638	12.5
302.58035	2.7
311.08978	2.5
314.07883	4.4
315.08539	3.0
316.57672	4.2
329.10159	87.0
330.11050	12.4
333.13339	33.2
361.12854	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1387
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
58.06602	8.9
60.04513	1.5
68.80222	1.6
69.03442	1.7
69.07039	2.6
72.08143	2.3
81.03412	1.7
82.02947	1.9
83.04951	1.7
84.04499	7.6
85.02893	2.0
85.03999	1.6
86.79576	1.5
87.86070	1.4
88.03981	1.8
94.06565	3.6
97.02885	2.4
97.72738	1.7
99.04462	2.3
110.06088	2.0
116.14074	1.6
121.06449	1.8
122.06003	14.7
124.07580	3.2
127.03895	3.5
128.03474	2.0
134.05963	6.1
135.12543	1.8
137.05946	1.8
138.05568	2.2
140.07069	16.1
142.08611	7.0
144.08090	100.0
154.04988	3.3
156.06607	2.8
156.08069	12.0
160.03925	9.9
162.05455	3.8
164.07016	11.8
166.08643	30.4
172.06027	16.4
182.04442	2.5
188.03398	3.7
192.06554	74.4
218.06624	12.4
220.06068	29.1
229.09776	3.2
242.11311	7.4
244.09872	2.0
270.10461	2.7
271.10754	3.7
274.10410	2.7
284.12872	2.2
285.13095	19.4
301.11743	6.9
303.13477	2.0
305.14880	6.7
315.13684	2.7
333.14340	3.4
343.12860	6.1
343.17056	1.9
361.09473	5.6
361.13910	91.7
361.17960	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05522	29.1
58.06605	18.3
67.64709	2.0
69.03416	5.6
71.05003	3.4
74.06052	2.5
74.90245	2.4
76.53666	2.2
81.03426	21.2
82.95854	2.2
83.04987	78.3
83.77374	2.4
85.02905	32.1
86.09704	3.7
87.04480	2.6
90.50951	2.3
95.04970	2.5
96.90300	2.7
97.02917	5.8
99.04456	100.0
101.06030	3.5
109.02815	2.7
111.04434	4.0
114.85093	2.4
119.07035	3.6
121.06539	3.5
127.03925	5.7
137.12608	2.2
139.28760	2.4
140.18988	2.2
141.05525	2.4
150.09146	2.8
152.26317	2.4
152.27682	2.3
156.54201	2.3
161.50497	2.3
179.51152	2.4
186.34605	2.3
214.87419	2.4
215.08157	29.3
257.09113	15.5
275.10147	3.3
326.71127	2.7
361.13904	62.8
361.18005	4.0
363.01324	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
53.12211	1.6
55.01896	2.3
55.05523	28.0
56.65702	1.7
57.03441	2.7
59.05012	3.4
69.03429	8.6
71.05003	47.8
72.08165	3.8
73.06527	2.4
76.82325	2.2
81.03422	10.7
83.04989	97.0
84.08164	2.5
85.02909	10.2
85.06511	1.8
91.41711	1.9
97.02910	9.0
97.27018	2.0
99.04459	71.1
101.06023	100.0
103.42796	1.8
109.02884	4.4
127.03923	11.3
129.05484	11.0
145.05002	3.6
147.06531	25.0
199.11546	2.6
227.09259	3.4
263.11383	3.0
343.15808	3.5
361.14194	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
53.12211	1.6
55.01896	2.3
55.05523	28.0
56.65702	1.7
57.03441	2.7
59.05012	3.4
69.03429	8.6
71.05003	47.8
72.08165	3.8
73.06527	2.4
76.82325	2.2
81.03422	10.7
83.04989	97.0
84.08164	2.5
85.02909	10.2
85.06511	1.8
91.41711	1.9
97.02910	9.0
97.27018	2.0
99.04459	71.1
101.06023	100.0
103.42796	1.8
109.02884	4.4
127.03923	11.3
129.05484	11.0
145.05002	3.6
147.06531	25.0
199.11546	2.6
227.09259	3.4
263.11383	3.0
343.15808	3.5
361.14194	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1638
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
65.43172	2.0
69.03459	4.0
76.97211	2.3
91.05513	4.3
93.07058	4.1
99.04457	3.2
105.07013	2.8
107.04954	19.1
119.04902	3.6
121.06512	6.2
129.06981	9.9
131.08569	4.3
135.08037	3.7
137.05983	12.5
147.04416	5.0
147.07999	3.3
151.07533	10.1
152.62526	3.0
153.05519	2.4
153.99214	3.4
157.06468	5.0
161.05956	12.0
161.09624	3.7
163.07526	5.0
165.09106	3.6
167.07028	60.7
170.71143	2.7
170.91147	2.6
177.09216	3.1
179.07098	2.9
179.08553	4.3
181.08563	32.1
189.09099	24.7
195.08073	4.7
207.10123	5.2
221.09532	3.7
222.06815	2.5
223.11156	3.6
224.08304	4.5
225.09087	11.8
233.09575	4.6
235.07269	2.8
237.08969	3.7
249.09024	10.7
251.06947	2.8
251.10597	4.5
253.08565	3.2
254.55180	2.9
255.10013	5.8
257.11804	3.7
265.08875	3.7
267.10159	3.3
271.10117	2.7
272.10388	3.1
277.34229	2.6
279.10052	4.7
281.11697	5.3
283.09708	5.8
283.12762	3.3
285.11237	12.7
297.10892	3.2
310.11932	2.9
311.12671	10.4
315.12222	14.0
317.13843	10.4
329.13715	5.4
331.15344	3.6
343.15530	22.2
361.12115	5.4
361.16415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1637
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
64.95330	3.1
69.38531	3.7
71.47086	3.3
78.83832	3.8
79.05497	7.0
89.95777	3.7
91.05470	15.6
93.07039	7.2
94.20214	3.6
98.27860	3.6
103.05486	7.2
105.07050	8.6
107.04938	46.4
115.33391	4.2
121.06510	26.2
123.04433	5.0
124.05199	5.3
129.07004	24.7
131.04930	8.1
131.08563	8.4
137.05991	22.9
145.06442	6.6
149.05934	8.3
151.07500	19.8
153.05460	9.2
157.06415	34.5
161.05934	59.1
161.09581	22.5
163.07526	24.7
165.06976	4.4
165.09134	5.5
166.06226	15.6
167.07031	100.0
167.08394	7.5
174.06746	19.2
177.09085	7.0
179.08537	6.5
181.08592	91.0
189.09103	80.8
193.06586	7.2
195.08006	8.6
197.09705	5.2
205.43651	4.3
207.10098	31.8
208.08812	4.5
223.07596	4.1
223.11189	7.8
224.18605	4.1
225.09134	27.3
236.08327	4.3
237.09059	6.3
240.08005	4.7
251.07013	7.9
251.10509	5.1
253.08543	8.7
255.10178	8.9
257.11740	16.0
279.10202	5.1
283.09613	17.6
283.13342	16.3
285.11151	31.7
299.09146	5.0
311.12869	6.8
315.12204	24.0
317.13705	33.9
331.15488	6.1
343.15253	24.0
360.29602	4.5
361.16440	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1632
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
52.91697	1.3
53.62119	1.3
54.09646	1.5
55.69884	1.4
59.48986	1.3
62.92368	1.6
69.03410	4.0
72.52634	1.5
78.39764	1.4
105.07019	1.9
107.04950	9.4
115.26259	1.6
121.06514	8.9
129.07016	3.7
131.08633	2.0
137.05991	6.8
143.84598	1.6
149.05920	1.9
151.07567	4.1
153.05489	2.0
157.06537	3.0
159.07915	2.1
161.05992	8.5
161.09650	2.1
163.07475	2.4
165.09035	1.7
167.07010	28.1
174.06807	2.7
175.07571	2.3
179.08583	2.2
181.08620	18.7
182.07390	1.9
183.61134	1.5
189.09059	17.6
191.08655	2.1
193.06418	1.8
195.08080	3.6
197.09731	2.1
205.10051	2.1
207.08191	2.6
208.08986	1.7
210.06956	1.9
211.07478	2.0
214.06256	1.7
219.08102	2.6
220.08949	2.1
221.09612	7.2
223.07658	3.1
223.11121	2.8
225.09134	9.2
233.09718	2.1
237.09183	3.6
238.09946	2.9
239.10703	3.8
241.08620	3.5
243.10204	2.1
249.09212	9.0
250.09813	3.4
251.10655	3.4
253.08685	3.8
253.12283	3.8
254.09578	2.2
257.11700	3.6
265.08664	5.8
266.09595	2.2
268.10822	2.0
269.11676	3.0
271.09717	4.1
272.18488	1.7
279.10104	3.8
281.11676	8.0
283.09821	3.2
283.13196	2.8
285.11310	10.3
295.09564	2.4
297.11197	4.2
311.12823	7.7
315.12140	2.0
317.13882	7.8
328.12912	2.4
329.13797	8.3
331.15469	2.1
343.15265	18.9
361.12701	4.6
361.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1641
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
56.77451	3.3
58.39310	3.1
60.01434	3.8
67.84650	3.2
69.03425	4.4
91.05481	20.5
93.07044	16.8
95.04987	3.7
103.05521	4.9
106.22368	3.6
107.04954	46.4
113.91666	3.7
119.04955	7.5
121.06499	25.7
129.06993	20.7
131.04941	15.8
131.08597	5.1
134.09352	3.6
135.08089	4.3
137.05997	20.3
148.05144	4.5
149.06007	8.0
151.03946	4.1
151.07533	23.5
153.05487	8.7
155.06975	5.0
157.06477	21.9
159.08034	3.7
161.05975	36.1
161.09601	17.4
163.07501	26.7
165.06956	8.0
165.09091	5.6
166.06290	6.2
167.07034	100.0
167.08492	7.6
174.06801	15.9
175.07454	6.7
177.09123	4.8
179.07043	6.5
181.06818	5.5
181.08598	98.5
183.07986	5.2
189.09099	59.9
191.07080	4.2
191.08559	3.9
194.07281	4.1
195.08025	20.9
197.09583	8.4
207.10072	8.2
211.07474	5.1
212.08261	4.9
221.05992	7.5
223.07558	16.4
223.11108	5.2
225.09036	22.6
237.09174	5.4
240.07874	6.3
249.09177	4.0
251.07033	7.9
253.08586	8.2
255.10294	5.3
257.11667	23.8
269.07916	5.6
283.09659	29.9
283.13190	7.7
285.11169	29.3
299.12582	4.7
302.11420	7.5
311.12674	9.1
315.12177	22.4
317.13776	41.8
328.12711	4.7
329.13187	7.4
343.11548	19.8
343.15381	28.5
361.12131	11.5
361.16379	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19644	3.5
55.05526	4.3
67.05504	6.0
67.12421	3.5
69.56501	4.0
71.04998	5.1
72.96943	3.6
79.05474	7.0
81.07063	17.7
85.06545	5.1
88.26359	5.1
89.72887	5.1
91.08328	3.7
93.07066	15.4
95.04965	4.6
95.08598	22.9
105.07037	16.4
107.08581	17.7
109.06515	6.6
112.78470	4.8
112.79359	4.5
117.07024	4.8
119.08559	7.1
121.10162	5.3
123.04543	4.4
123.08083	5.8
131.08563	10.8
133.77417	3.9
135.08113	5.2
137.09665	5.2
143.08556	9.2
145.10066	7.5
147.08063	5.3
147.11591	4.4
157.10083	59.6
159.11700	8.1
161.09543	4.5
183.11722	6.8
189.12726	5.2
199.11302	4.6
235.14679	9.5
250.17166	6.4
251.17995	9.1
253.15932	5.7
269.15359	7.1
293.19022	100.0
311.20047	67.1
325.21613	25.4
343.22723	9.1
361.23627	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2371
Annotation	Solandelactone G
Peak:m/z	Relative Intensity
55.88369	4.6
67.05502	10.5
69.03442	5.5
71.04972	8.9
73.50207	4.6
79.05504	9.0
81.07052	33.6
83.05000	6.1
87.06330	5.1
91.05495	7.9
93.07041	30.1
95.04941	6.9
95.08611	22.4
97.06549	8.0
105.07049	29.0
107.04997	6.7
107.08602	31.4
109.06576	8.4
109.10152	11.8
111.08094	9.1
119.08534	23.1
121.06553	7.8
121.10102	8.9
123.08092	8.7
131.08559	12.1
133.10133	13.1
135.08054	8.9
137.09644	5.4
143.08577	11.0
145.10136	12.5
155.08511	6.2
157.10097	28.0
159.11674	11.0
181.10123	7.3
193.10147	6.4
195.11678	9.0
199.11136	6.7
199.14752	5.6
207.11755	6.5
249.16522	6.7
250.17084	8.4
251.14177	8.1
251.17966	11.9
278.16812	9.1
293.18954	90.5
311.20502	5.2
325.21661	100.0
343.22675	11.5
343.57056	6.0
361.19684	19.6
361.23740	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.237
Annotation	Solandelactone G
Peak:m/z	Relative Intensity
54.68687	1.9
64.16574	1.5
67.05507	3.5
71.05003	2.5
76.54388	2.0
79.05520	3.1
81.07048	4.6
91.05467	4.4
92.20910	2.1
93.07026	8.8
95.08591	8.1
101.15845	1.8
104.16119	1.9
105.07028	13.3
107.08605	10.0
109.10152	2.0
111.08069	4.8
119.08563	11.2
121.10133	3.8
123.08083	2.7
129.07045	2.2
131.08568	4.7
133.10136	3.4
135.08029	3.6
137.09615	2.4
142.07805	2.0
143.08539	9.7
145.10124	11.3
147.08070	3.7
149.09506	2.0
149.19026	2.0
155.08562	4.5
157.10124	28.2
159.11661	8.1
161.09540	3.3
166.38728	1.9
169.10167	4.2
171.11638	4.8
173.09520	2.1
175.11313	2.1
181.10110	3.9
183.11693	10.4
185.09567	8.6
193.10065	6.9
195.11664	8.4
199.11188	4.2
207.11731	8.5
209.13307	9.1
213.12807	2.8
221.13347	2.8
225.12706	2.1
233.13344	4.2
235.14735	16.5
237.12616	6.9
238.71933	2.0
249.16389	12.9
250.17183	11.5
251.14253	21.3
251.17967	17.6
275.17850	3.9
278.16583	14.0
293.18982	90.0
311.19925	8.5
325.21616	100.0
333.64328	2.2
342.51086	1.9
343.22604	11.5
361.23846	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55595	1.2
57.54629	1.2
64.51962	1.2
67.05508	2.0
69.07072	1.8
79.05479	1.8
81.07059	5.7
91.05496	2.5
93.07043	2.7
95.04978	2.0
95.08585	6.2
99.04471	1.7
105.07028	6.9
107.08598	6.7
109.06506	2.7
116.35436	1.6
119.08566	3.5
121.06516	2.5
121.10100	1.8
122.06743	1.6
123.08041	5.9
131.08545	6.5
133.10146	6.9
135.08017	2.0
145.10141	2.4
147.11664	2.9
155.08582	2.0
157.10118	75.1
159.11684	5.5
171.11670	2.9
175.11183	3.5
177.12761	1.5
183.11740	3.1
191.14302	2.0
195.11659	1.7
209.13309	2.0
219.13783	13.1
274.27277	2.3
293.18973	100.0
311.19986	2.5
343.22684	2.9
361.15991	3.1
361.19830	5.3
361.23569	13.8
361.27460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	24.7
57.07083	50.3
67.05512	46.9
69.07063	66.0
71.08630	50.3
72.04521	6.5
81.07063	82.9
83.08631	68.8
85.06531	6.2
85.10171	11.4
91.05486	8.6
93.07058	5.5
93.85052	5.0
95.08611	100.0
97.06568	4.8
97.10156	50.1
107.08585	20.7
109.10157	50.0
111.11691	11.6
119.08581	18.6
121.10114	19.2
123.11719	26.7
124.63550	5.8
127.11333	5.1
133.10123	19.1
135.11667	5.8
137.13269	9.0
141.12732	6.9
147.11699	18.7
149.13254	6.5
155.14264	8.5
161.13235	5.9
172.91605	5.0
173.11723	6.5
229.40291	5.2
245.22571	37.9
262.25275	5.2
263.23666	40.4
280.26321	41.6
281.24771	10.9
282.75000	5.2
289.62918	5.4
298.27426	50.4
299.25833	51.4
320.25473	24.3
370.49301	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01915	4.6
54.19979	3.9
54.20975	4.2
55.05521	38.8
57.07080	77.7
59.03748	6.1
59.53328	3.7
67.05505	45.6
69.07075	94.9
71.08640	11.2
72.04523	6.3
78.94424	4.7
79.05490	7.1
81.07057	76.7
83.08621	80.8
83.93058	4.2
85.06532	5.2
85.10200	10.0
93.07029	24.1
95.08613	76.5
97.06519	17.9
97.10170	54.9
105.07016	9.7
107.08585	18.7
109.10158	55.3
111.11685	15.9
119.08570	17.2
121.10143	28.0
123.11787	13.7
127.11212	10.9
133.10110	17.4
135.11694	20.4
147.11697	20.9
149.13251	7.2
151.11275	4.7
161.13269	10.3
163.75081	4.2
167.14253	5.4
207.17480	5.4
245.22600	19.7
257.26636	4.6
263.23648	51.8
268.62454	5.2
280.26459	67.9
281.24786	9.7
286.93088	4.6
298.27411	100.0
299.25790	75.0
320.24838	24.6
361.31647	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50066	3.1
55.05520	34.4
57.07085	58.9
67.05503	39.7
69.07067	74.8
71.08632	78.5
72.04510	3.6
76.36648	4.0
79.05492	6.0
81.07063	100.0
82.15748	3.3
83.04988	4.1
83.08627	55.6
85.06531	5.9
85.10204	26.9
91.05469	19.1
93.07024	21.6
95.08605	98.7
97.06532	6.9
97.10174	55.7
98.57617	3.3
100.07535	3.5
105.07014	6.9
107.08581	16.3
109.10156	64.1
111.08063	7.6
111.11716	23.4
119.08579	25.0
121.10129	21.3
123.08044	4.1
123.11718	24.6
128.10710	4.7
133.10123	17.8
135.11678	5.8
137.05612	3.8
137.09630	5.7
137.13277	13.5
139.11217	4.2
141.12727	14.7
147.11713	17.5
155.10628	4.1
155.14293	6.9
156.13826	6.2
161.13284	14.0
163.14822	5.2
172.13304	8.2
175.14871	6.4
189.16316	5.0
193.15881	5.6
245.22615	23.1
253.25356	5.0
263.23676	47.4
280.26376	33.1
281.24640	25.2
283.21454	4.3
298.27344	68.2
299.25858	61.9
320.25601	5.6
330.14716	3.6
361.23557	3.9
372.39340	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15030	3.1
51.50849	3.0
55.05527	38.4
55.66265	3.5
57.07082	52.4
58.30756	3.0
59.03730	2.8
61.87648	3.1
67.05510	48.3
69.07074	86.9
71.05009	4.7
71.08642	50.2
79.05485	8.4
81.07065	89.5
83.05017	3.5
83.08629	76.9
85.06514	4.5
85.10178	20.1
87.48209	4.0
88.14402	3.2
91.05486	18.4
92.21510	4.7
93.07051	21.4
95.08614	100.0
97.06541	15.9
97.10160	48.5
105.07026	7.4
107.08594	26.5
109.10164	62.6
111.08102	4.1
111.11717	20.2
114.70012	3.6
119.08596	17.2
121.10116	19.9
123.08041	5.1
123.11750	26.4
128.10669	5.1
133.10121	33.5
135.11739	4.8
135.98988	3.7
137.13240	7.3
139.11174	6.4
141.12700	7.5
147.11697	20.8
149.13235	5.5
151.11194	5.3
156.13838	16.3
161.13272	6.1
163.14827	4.7
165.16432	5.1
175.14864	5.5
186.14917	4.7
245.22681	27.4
263.23666	45.4
275.43442	4.0
280.26343	62.6
281.24844	17.5
298.27426	60.0
299.25714	35.6
320.25516	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80386	1.7
55.05523	16.7
56.51637	1.9
57.07076	14.2
64.68372	2.0
67.05511	45.9
68.99799	3.4
69.07069	29.8
71.04979	4.0
79.05499	50.0
79.88067	2.6
81.07066	63.1
83.08636	12.7
85.06562	5.5
86.80234	2.3
87.22077	2.1
91.05484	33.6
93.07042	92.0
95.04998	2.1
95.08608	51.8
97.06526	3.9
97.10168	3.7
99.08090	2.8
104.70953	2.1
105.07032	68.6
107.08595	64.2
109.10156	21.9
111.00793	4.0
113.09715	2.4
117.07040	16.3
119.08578	52.5
121.10115	47.1
121.57290	2.2
129.01840	100.0
129.07036	3.3
131.08572	41.6
133.10127	60.3
135.11693	45.9
139.00233	3.9
143.08553	14.5
145.10141	49.6
147.11671	56.3
149.13271	21.5
157.01248	2.5
157.10117	15.1
158.97899	2.6
159.11696	40.1
159.34439	2.4
161.13251	27.0
163.14781	5.4
171.11661	12.9
173.13219	21.4
175.14821	14.6
185.08098	37.3
185.13312	11.7
187.14830	9.2
199.14836	4.4
201.16377	3.4
213.16339	3.5
235.16718	2.4
241.19577	16.1
243.21178	3.7
259.15231	4.1
259.20544	49.7
261.22150	5.0
275.20074	42.3
277.21619	17.1
287.20135	3.2
288.61554	2.5
320.25616	25.1
325.25296	3.6
343.26291	48.7
361.27365	91.1
361.31216	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04976	3.6
55.05515	18.4
57.07071	10.0
65.97441	4.1
67.05502	39.3
69.07080	39.3
71.04992	4.9
79.05495	70.8
81.07059	72.6
83.08635	7.2
85.06558	5.9
91.05482	36.5
92.21329	5.6
93.07038	100.0
93.80907	3.8
95.04953	5.6
95.08607	47.0
104.91599	4.4
105.07033	54.9
107.08597	78.3
109.10157	25.5
117.07062	9.3
119.08567	63.0
121.10132	57.9
123.08101	5.7
123.11732	5.3
129.07016	4.2
131.08574	49.9
133.10136	74.0
135.11696	56.8
143.08638	5.2
145.10127	58.0
147.11670	47.8
149.13248	25.6
157.10034	8.3
159.11638	36.9
161.13272	32.9
163.14810	6.1
171.10373	4.7
171.11746	25.6
173.13257	30.1
175.14835	9.2
185.13252	8.9
213.16188	4.4
241.19434	10.6
259.20554	57.8
275.19958	38.3
277.21600	24.7
286.29227	4.8
343.26297	56.8
361.19821	19.5
361.27463	96.8
379.73773	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27381	2.1
55.05511	10.6
57.07075	6.1
65.03937	3.4
65.28738	2.2
67.05509	93.4
69.07068	16.2
79.05482	30.5
81.07057	31.0
83.04985	28.1
83.08633	5.6
85.06550	68.6
91.05467	13.5
93.07047	52.2
95.04964	3.1
95.08607	32.0
102.76949	2.8
105.07029	27.4
107.08597	43.3
109.10162	10.9
109.84695	2.3
111.08073	3.0
117.07042	3.3
119.08575	28.6
121.10148	42.4
123.11690	2.5
131.08566	12.8
133.10117	32.2
135.11693	44.6
145.10143	18.6
147.11667	34.4
149.13258	24.7
157.10144	6.2
158.37068	2.6
159.11700	16.6
161.13277	27.9
162.34183	2.8
163.14760	3.7
171.11621	4.6
173.13199	5.0
175.14816	5.5
185.13306	4.1
187.14919	2.4
199.14726	3.3
241.19510	10.5
255.12723	2.8
259.20544	30.6
277.21637	43.1
320.25549	54.1
343.26288	14.1
361.23285	5.6
361.27414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	42.7
57.07076	3.3
67.05514	25.7
69.07066	18.2
79.05493	21.0
81.03431	18.7
81.07063	25.1
83.04987	100.0
83.08643	3.6
91.05481	14.6
93.07040	24.8
95.04969	12.0
95.08614	16.1
97.10160	2.9
105.07007	14.3
107.08598	22.4
109.06564	2.7
109.10149	12.3
111.11687	2.0
117.07027	3.8
119.08568	9.6
121.06522	3.0
121.10143	13.7
125.09635	3.6
131.08566	4.3
133.10150	10.1
135.11708	9.6
137.05989	13.5
143.08601	3.1
145.10146	4.8
147.11708	12.4
151.11171	4.4
159.11673	2.9
161.13261	4.7
168.90546	2.1
226.57640	2.1
241.19478	2.7
277.18295	5.6
277.21631	31.9
279.23236	3.6
322.86133	2.2
343.26196	4.7
361.23431	21.9
361.27869	11.6
377.34247	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53115	3.0
55.05514	20.5
56.05139	3.8
57.07072	17.6
59.40031	3.2
63.35889	3.6
67.05504	42.3
69.07069	39.3
79.05507	66.8
81.07056	58.7
83.08620	9.2
85.06539	16.9
91.05487	56.0
93.07047	86.3
95.08598	61.3
97.10174	5.7
98.89602	3.4
105.07031	62.7
107.08602	66.7
109.10168	22.7
117.06998	9.3
119.08589	60.8
121.10137	52.2
129.06973	6.5
131.08563	53.0
133.10136	62.8
135.08084	4.0
135.11725	44.1
143.08502	6.1
145.10115	52.6
147.11694	64.6
149.13242	34.2
157.10103	8.8
159.11751	37.7
161.13234	36.0
165.12630	4.3
171.11674	20.9
173.13258	30.3
175.14760	16.3
185.13210	8.2
187.14882	6.2
199.14719	8.0
201.16470	4.7
241.19501	16.4
259.20502	54.8
261.22012	7.8
268.09219	3.8
275.20026	46.6
276.81595	3.9
277.21515	18.3
281.25568	4.0
325.25223	7.3
343.26151	48.4
351.87805	4.3
361.27359	100.0
379.21893	4.6
384.02716	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
57.07071	10.6
67.05507	15.3
69.07050	6.3
71.08633	5.5
79.05497	11.9
79.96807	2.8
81.07048	13.2
91.05490	5.8
92.20970	3.4
93.07030	14.7
95.04953	3.2
95.08607	11.4
95.46169	2.5
105.07043	4.5
107.08579	11.5
109.10131	5.3
117.07023	3.4
118.52841	2.9
119.08528	4.1
121.06495	6.2
121.10145	9.9
129.01839	100.0
129.02699	3.6
133.10121	4.7
135.11682	3.8
139.00243	3.4
147.11633	4.3
157.01309	4.1
163.14838	2.9
179.14328	3.6
185.08083	32.3
213.09740	2.9
249.79161	3.2
259.15338	7.0
277.21631	19.2
342.86227	3.7
353.03094	3.4
361.29315	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10378	0.5
55.05513	2.4
55.16287	0.5
55.70808	0.6
56.00076	0.5
56.05026	1.1
56.13616	0.4
59.06136	0.6
67.05501	5.4
67.97321	0.6
69.07056	3.2
70.06590	2.3
76.72707	0.6
79.05480	2.7
81.07063	9.8
82.06578	3.2
83.06117	5.4
83.08599	0.7
83.53899	0.6
84.08130	0.9
91.05482	1.5
93.07034	5.5
94.06602	1.3
95.06129	0.6
95.08142	0.6
95.08617	8.2
96.08123	4.6
97.10101	1.0
105.07045	2.7
106.06558	0.7
106.65074	0.6
107.08585	2.6
108.08088	1.1
109.10143	3.0
116.38921	0.5
117.07008	0.9
119.08568	3.5
120.08073	1.0
121.10141	1.4
123.11744	0.8
124.07563	0.7
124.11271	0.6
131.08560	1.4
133.10110	1.0
134.09624	0.9
135.11681	0.7
137.13275	0.7
137.81401	0.7
138.12704	0.9
143.08620	0.9
145.10133	1.3
146.09590	0.7
148.11162	0.9
150.12762	0.7
154.17827	0.6
157.10124	0.9
159.11703	0.8
164.14270	0.7
173.13306	0.9
186.12866	0.8
188.60437	0.7
193.61809	0.6
209.57402	0.6
216.17337	0.8
219.18427	0.7
300.23138	2.4
302.24741	1.1
315.28131	1.3
318.24307	1.4
320.25876	2.9
334.27475	1.4
343.27301	6.6
344.25620	1.3
361.28445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98747	0.5
67.43703	0.5
135.91588	0.6
198.05496	0.8
261.07736	1.0
262.08496	0.7
272.82901	0.6
273.07861	0.9
274.08517	0.8
288.06445	2.4
289.07233	2.1
290.08124	7.5
291.09000	2.1
300.06604	1.2
301.07281	5.5
302.08212	0.8
303.08920	1.3
304.06067	0.9
304.09647	3.2
317.06671	6.7
318.07562	11.2
319.08411	7.2
326.21121	0.7
329.06863	1.1
332.05441	4.3
332.09073	19.6
344.09213	2.0
346.07095	20.4
346.16187	0.7
347.08026	5.9
362.10199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67933	0.3
52.67290	0.4
53.03961	6.3
53.18890	0.3
55.01885	9.8
57.03445	0.6
61.50322	0.4
69.03431	6.2
71.04995	1.9
71.65263	0.4
73.02927	3.6
81.03428	19.4
85.02912	9.5
89.86086	0.4
97.02907	2.0
99.04462	100.0
103.05978	0.4
109.02885	5.7
111.06898	0.4
127.03923	8.5
128.03429	2.0
132.01384	0.5
136.33592	0.4
141.05486	2.0
145.05000	1.7
153.05447	0.6
225.07474	0.8
243.08611	0.9
280.04233	0.4
344.09760	3.0
362.11133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66871	0.9
52.21684	0.9
55.91071	0.8
58.06596	5.9
69.03434	1.0
70.15801	0.8
72.76650	0.8
81.03430	1.4
85.02892	2.3
86.09645	1.2
89.79967	0.9
93.07030	2.5
96.04475	1.1
97.02864	5.4
99.04443	2.3
100.19584	1.0
103.05521	1.2
107.04936	5.1
108.09849	1.0
110.06017	1.2
121.06503	48.8
122.06009	7.3
125.04720	1.2
126.05482	2.0
128.06157	1.3
137.05956	3.9
146.05907	1.0
158.23636	0.8
163.03918	1.3
164.04172	1.0
165.04449	0.9
165.09076	11.7
166.30768	1.1
168.05629	1.3
171.08052	1.8
182.04523	1.6
199.07539	9.5
212.04703	13.2
215.03346	2.2
222.38232	0.9
227.03369	3.8
227.07004	38.8
228.10162	1.7
239.03278	1.6
240.04126	3.6
243.06543	9.5
246.11224	5.3
255.06500	12.5
256.03589	12.7
271.05991	39.6
284.03085	2.2
299.05478	65.2
300.12259	1.4
302.04150	5.1
316.11731	1.5
317.06509	25.2
344.07834	1.1
344.11023	7.4
347.09964	1.6
362.12219	100.0
362.16150	16.1
375.64053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1235
Annotation	Cyclomegistine
Peak:m/z	Relative Intensity
56.77814	0.9
57.52506	0.9
58.06600	2.7
60.97129	0.9
61.02919	1.3
69.03411	2.8
71.04956	2.1
76.55466	1.0
78.03104	1.1
81.03394	1.2
81.41470	1.0
84.04490	1.9
85.02909	20.5
86.03203	1.3
86.09670	2.8
91.05447	1.3
97.02873	9.5
99.04494	1.3
103.05391	1.3
109.02906	1.1
111.04391	5.1
112.73698	1.1
117.96585	1.2
119.04872	1.1
123.04400	1.7
127.03862	7.3
135.04391	1.2
137.05978	19.7
139.03899	2.1
145.04880	5.2
145.06400	1.6
146.05954	6.8
147.04346	6.8
149.05957	2.4
153.05438	2.1
154.05823	1.4
155.03381	17.8
161.05978	4.8
162.05511	2.0
162.06711	1.4
163.06155	1.5
163.07500	1.2
164.07047	68.3
165.05423	6.0
166.72253	1.2
173.05899	1.8
176.06940	2.5
178.26360	1.2
180.08597	2.3
180.20500	1.1
182.08060	5.2
183.02885	2.6
183.06418	1.6
189.05357	1.7
190.43855	1.1
195.08023	1.4
197.06044	2.1
200.09116	5.6
211.07425	1.4
213.09067	1.6
223.07512	2.4
225.05302	1.5
238.06255	2.0
238.08540	2.6
239.06837	1.8
240.10121	1.7
249.07591	1.6
251.06984	1.5
267.06497	1.9
271.05887	1.8
284.09073	1.5
298.10559	1.4
316.11792	1.6
362.12198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66871	0.9
52.21684	0.9
55.91071	0.8
58.06596	5.9
69.03434	1.0
70.15801	0.8
72.76650	0.8
81.03430	1.4
85.02892	2.3
86.09645	1.2
89.79967	0.9
93.07030	2.5
96.04475	1.1
97.02864	5.4
99.04443	2.3
100.19584	1.0
103.05521	1.2
107.04936	5.1
108.09849	1.0
110.06017	1.2
121.06503	48.8
122.06009	7.3
125.04720	1.2
126.05482	2.0
128.06157	1.3
137.05956	3.9
146.05907	1.0
158.23636	0.8
163.03918	1.3
164.04172	1.0
165.04449	0.9
165.09076	11.7
166.30768	1.1
168.05629	1.3
171.08052	1.8
182.04523	1.6
199.07539	9.5
212.04703	13.2
215.03346	2.2
222.38232	0.9
227.03369	3.8
227.07004	38.8
228.10162	1.7
239.03278	1.6
240.04126	3.6
243.06543	9.5
246.11224	5.3
255.06500	12.5
256.03589	12.7
271.05991	39.6
284.03085	2.2
299.05478	65.2
300.12259	1.4
302.04150	5.1
316.11731	1.5
317.06509	25.2
344.07834	1.1
344.11023	7.4
347.09964	1.6
362.12219	100.0
362.16150	16.1
375.64053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04786	0.5
55.17850	0.5
60.41260	0.5
70.69740	0.6
73.65996	0.5
83.39960	0.6
151.31798	0.7
163.19777	0.7
199.63606	0.6
304.09631	1.3
318.07593	1.2
318.11252	28.5
330.11322	5.4
332.09146	13.6
333.10129	0.8
346.07480	0.9
346.10745	32.6
347.11517	24.4
362.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
72.03844	0.7
79.05492	1.6
81.07065	1.7
93.07014	0.9
95.08588	0.9
98.46404	0.8
99.04451	8.4
103.05471	7.1
107.04987	7.1
107.05579	0.8
121.06529	1.3
127.03876	0.9
129.33868	0.9
131.04904	3.7
143.08513	0.8
147.00522	0.9
214.12291	11.9
218.89012	0.9
303.08810	1.1
304.09912	1.4
318.11230	26.8
318.14847	1.4
330.11368	6.2
331.08414	1.6
332.09189	15.6
344.18860	1.0
346.10733	50.4
347.11520	48.5
357.02728	1.1
362.13754	100.0
362.17593	21.2
362.22604	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1386
Annotation	0231A
Peak:m/z	Relative Intensity
53.25047	0.4
71.14017	0.4
78.28889	0.5
79.74156	0.5
81.78715	0.5
91.14662	0.5
96.31052	0.6
102.78838	0.6
174.80646	0.5
201.83258	0.6
202.16164	0.5
304.09528	0.8
317.10480	0.6
318.11230	14.0
330.11255	3.0
332.09177	11.6
332.12796	0.9
334.14536	0.6
346.10785	18.9
347.07645	0.9
347.11539	14.0
362.13876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
72.03844	0.7
79.05492	1.6
81.07065	1.7
93.07014	0.9
95.08588	0.9
98.46404	0.8
99.04451	8.4
103.05471	7.1
107.04987	7.1
107.05579	0.8
121.06529	1.3
127.03876	0.9
129.33868	0.9
131.04904	3.7
143.08513	0.8
147.00522	0.9
214.12291	11.9
218.89012	0.9
303.08810	1.1
304.09912	1.4
318.11230	26.8
318.14847	1.4
330.11368	6.2
331.08414	1.6
332.09189	15.6
344.18860	1.0
346.10733	50.4
347.11520	48.5
357.02728	1.1
362.13754	100.0
362.17593	21.2
362.22604	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1385
Annotation	0231A
Peak:m/z	Relative Intensity
52.02841	0.4
56.25435	0.3
75.00990	0.4
85.70489	0.4
134.01514	0.4
140.75514	0.4
147.26097	0.4
190.63821	0.4
202.37674	0.4
304.09842	0.7
313.37042	0.4
318.07657	0.6
318.11264	12.7
330.11157	3.7
331.08420	0.8
332.09167	9.7
332.12820	0.6
346.10724	16.9
347.11542	17.4
362.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
113.48176	0.5
139.12126	0.5
141.54428	0.4
201.92674	0.5
294.19324	0.8
304.09750	0.5
318.11169	7.8
326.21829	1.0
330.11261	2.2
332.09225	7.0
334.14444	0.9
344.12842	0.6
346.10721	11.4
347.11548	11.1
362.13861	100.0
362.24844	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1386
Annotation	0231A
Peak:m/z	Relative Intensity
72.03844	0.7
79.05492	1.6
81.07065	1.7
93.07014	0.9
95.08588	0.9
98.46404	0.8
99.04451	8.4
103.05471	7.1
107.04987	7.1
107.05579	0.8
121.06529	1.3
127.03876	0.9
129.33868	0.9
131.04904	3.7
143.08513	0.8
147.00522	0.9
214.12291	11.9
218.89012	0.9
303.08810	1.1
304.09912	1.4
318.11230	26.8
318.14847	1.4
330.11368	6.2
331.08414	1.6
332.09189	15.6
344.18860	1.0
346.10733	50.4
347.11520	48.5
357.02728	1.1
362.13754	100.0
362.17593	21.2
362.22604	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29655	1.8
55.01862	2.3
55.33153	1.8
61.02917	4.6
62.18695	1.6
62.50689	1.9
64.82060	1.7
69.03413	15.8
73.02900	2.0
81.03397	3.7
85.02898	100.0
87.04424	2.1
91.03925	2.6
97.02879	26.4
99.04478	1.9
109.02863	10.7
111.02922	2.1
111.95264	2.0
119.04915	10.1
123.04418	13.8
127.03891	26.6
131.92685	2.0
134.74074	2.0
137.05959	52.2
145.04924	37.3
147.04417	3.0
150.07693	2.0
163.05983	9.7
165.05432	23.0
180.08652	20.1
183.06476	16.0
187.69191	2.0
200.09146	12.7
200.10771	2.1
225.63530	2.0
231.06535	3.0
249.07495	21.8
291.08609	8.9
309.09689	3.6
362.14407	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22058	1.4
57.03428	2.2
59.87294	1.5
61.02924	10.2
64.59895	1.6
69.03417	11.9
73.02927	2.6
81.03418	3.1
85.02908	100.0
91.03931	3.6
97.02893	16.6
99.04475	3.8
109.02879	8.1
119.04910	2.5
123.04437	8.4
127.03916	25.1
137.05981	33.2
144.89806	2.5
145.04922	27.7
147.04433	2.3
163.05988	9.6
165.05450	20.4
180.08701	14.8
183.06503	7.9
200.09265	15.2
249.07545	10.6
258.46268	1.9
291.08530	3.4
362.14520	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1496
Annotation	Ofloxacin
Peak:m/z	Relative Intensity
52.48308	1.2
57.29860	1.3
59.26011	1.7
79.93773	1.6
84.00806	1.5
87.02745	1.8
118.06541	18.9
121.15224	1.6
130.06537	28.8
132.08093	28.3
143.79181	1.9
144.04445	17.8
144.08084	93.1
146.06009	100.0
146.07176	3.2
148.21147	1.7
157.07576	17.0
158.08414	6.3
170.05945	7.7
171.09218	15.0
173.64484	1.6
174.05489	81.4
175.08655	16.0
185.07111	2.9
188.07066	87.3
217.09758	18.1
259.12311	22.2
316.14496	16.6
344.13980	7.5
362.14966	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2324
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
51.23010	0.7
55.01872	0.8
55.05515	1.5
64.50965	0.7
67.05520	5.8
69.07070	4.0
79.05502	1.4
81.03468	1.1
81.06618	1.1
81.07068	15.7
83.04990	0.8
83.08620	3.1
91.05483	3.0
93.07035	3.9
95.08614	4.8
97.06548	1.3
105.07039	5.5
107.08577	1.2
109.02883	1.6
109.06547	1.4
111.08116	1.3
119.08584	1.8
121.06500	13.1
121.10162	3.1
123.04439	3.5
123.08160	0.8
123.11729	1.5
129.07019	1.1
131.04948	1.8
131.08539	0.9
133.10162	1.5
136.81447	0.8
137.06000	7.0
143.08615	1.2
145.06502	4.8
146.06085	0.8
147.04424	4.3
147.11691	4.3
149.04832	0.8
149.05986	21.9
149.07091	1.4
151.07544	0.9
154.12241	0.7
157.06491	1.1
159.08081	1.2
161.05986	17.3
161.09618	1.5
162.06747	5.1
163.07510	6.4
164.07033	5.9
166.08656	4.3
167.07068	1.0
171.08041	1.6
173.05963	6.2
173.13316	0.9
175.07555	13.9
177.09105	1.5
179.10661	1.1
181.08621	1.0
183.08128	1.3
185.09698	1.1
187.07555	4.5
189.09126	7.7
190.09573	0.9
201.09114	1.1
203.10629	2.9
215.10698	1.3
226.09813	0.8
226.18010	1.1
244.21394	0.9
291.19843	1.0
309.20847	0.9
318.07852	1.0
318.11377	5.0
327.19595	4.2
332.09201	4.2
344.18579	4.0
344.22305	1.6
345.20633	1.1
346.10733	10.5
347.11523	11.4
362.13815	24.0
362.23300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56567	2.5
57.33633	2.8
71.37798	2.1
92.31412	2.6
95.63274	2.9
149.06004	4.3
159.38512	3.2
163.07491	4.0
193.43712	2.6
197.20920	2.9
218.78726	3.3
362.24557	100.0
362.30469	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87066	1.7
69.07056	2.5
81.07059	1.6
91.05447	2.1
95.08611	2.2
103.05429	2.3
105.07001	2.1
113.85062	2.0
117.07040	1.8
123.04452	3.2
131.04950	15.0
131.08583	2.2
137.05971	9.0
145.06490	10.9
149.05981	95.7
151.07523	28.1
154.18643	1.8
159.08055	10.9
163.07544	43.4
177.09033	10.9
195.62190	1.8
211.33505	1.6
345.27881	3.8
362.24551	47.4
362.30508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2659
Annotation	U-75302
Peak:m/z	Relative Intensity
65.24631	0.8
92.20834	0.8
97.02155	0.9
123.38026	0.8
125.77985	0.8
240.27612	0.9
293.50897	0.9
300.28925	1.9
320.25571	2.0
321.25958	24.7
321.29712	1.1
324.31332	0.9
362.26669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2687
Annotation	Dihydroajaconine
Peak:m/z	Relative Intensity
55.05513	8.1
56.05029	3.0
58.06611	1.9
67.05505	15.2
67.40630	1.1
69.07062	7.5
70.06599	9.9
71.04966	1.8
77.62431	1.4
79.05505	14.3
80.23161	1.2
81.07066	19.2
82.06593	8.7
83.08611	2.9
84.08149	5.9
86.09721	6.3
88.07655	1.3
91.05475	11.6
91.14194	1.2
91.77707	1.2
93.07038	17.5
93.83695	1.2
95.08601	12.2
96.08125	7.1
105.07031	11.7
107.08597	10.6
108.08159	2.3
109.10178	5.1
110.09752	1.3
111.66236	1.4
114.92782	1.3
116.10770	1.3
117.06988	4.9
119.08591	7.5
120.08082	1.8
121.10108	2.7
122.09686	1.7
126.12765	5.7
131.08574	2.8
133.10147	5.3
135.11702	1.3
137.09579	1.5
138.12807	1.6
144.10254	2.9
145.10114	2.8
147.11731	4.7
148.11243	2.6
149.05963	10.0
151.04219	1.4
151.07558	7.3
157.10101	1.5
159.08031	1.5
159.11642	1.6
162.22575	1.2
163.07532	2.9
166.12283	1.6
166.15854	1.9
184.13286	3.0
187.74071	1.3
195.03378	1.3
201.75328	1.3
206.19054	1.9
224.16443	2.5
246.22241	1.9
304.06573	1.5
304.22726	5.6
315.87396	1.4
320.24323	1.8
339.83844	1.4
344.25848	7.5
359.06760	1.5
362.26871	100.0
362.30804	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14967	1.2
67.05505	3.0
69.03436	2.1
69.07066	1.3
70.06596	2.3
73.37865	1.4
79.05489	2.4
81.07056	9.4
86.06071	100.0
87.04477	21.8
88.07652	2.6
91.05470	5.8
93.07071	6.2
95.08600	3.5
101.06032	1.7
104.07113	46.2
105.07043	9.3
107.08617	7.5
109.10168	2.3
114.09160	2.0
119.08601	12.7
121.10162	5.2
131.08578	2.3
132.10207	16.7
133.10120	9.2
135.11702	7.2
143.08510	2.0
145.10115	2.9
147.11682	9.6
149.13248	2.0
157.10103	1.9
159.11742	1.8
161.13322	11.6
165.65689	1.5
171.11610	2.1
173.13261	1.8
175.14790	5.4
184.30676	1.5
185.13258	2.6
198.95056	1.4
241.19392	6.0
256.26416	2.3
259.20554	17.2
318.29877	1.8
362.26874	76.5
362.32568	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10538	1.0
50.78355	1.0
53.11878	1.0
55.05506	1.4
56.63239	0.9
58.17020	1.1
65.93990	1.3
67.05495	5.2
69.03415	2.1
69.07066	2.9
78.44789	1.3
79.05485	3.1
80.80863	1.2
81.07047	8.3
86.06067	100.0
87.04465	24.2
88.49336	1.4
91.05475	3.1
93.07033	6.7
95.08598	3.0
100.51141	1.2
104.07099	37.9
105.07037	9.1
107.08575	6.2
117.05441	2.5
119.08579	11.6
121.10122	7.1
131.08568	2.1
133.10121	10.7
135.11696	5.9
145.10141	2.5
147.11708	10.9
149.13234	5.3
157.10184	2.0
159.11694	5.2
161.13289	9.7
171.11700	5.0
173.13280	1.9
175.14793	6.6
185.13155	1.9
199.14909	1.7
229.14294	5.5
241.19453	6.2
259.20560	18.1
275.88171	1.5
344.25677	1.9
362.22354	2.8
362.26831	65.1
376.86243	1.4
379.81989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.3
57.07069	6.3
57.42023	1.0
57.75090	1.1
62.15533	1.0
67.05512	12.6
69.07063	17.1
71.08628	2.8
79.05505	1.6
81.07061	19.4
83.08614	13.9
85.10204	1.8
86.06062	1.7
91.05489	1.4
93.07028	2.9
95.08595	18.1
97.06505	2.3
97.10156	10.9
100.07607	2.7
103.05469	1.6
103.66985	1.2
105.07039	2.7
107.08602	2.3
109.10155	10.5
111.08107	1.2
111.11715	2.4
114.09139	2.5
117.07021	2.2
119.08591	2.2
121.10168	2.6
121.24585	1.2
123.04414	2.6
123.11678	5.4
131.04922	13.9
131.08525	1.6
133.06476	1.7
133.10150	2.7
135.11758	2.4
135.84799	1.1
137.05988	9.1
137.13290	1.8
145.06456	14.1
147.11678	3.1
149.05978	100.0
151.07549	36.6
151.08755	1.6
151.11264	1.4
159.08051	10.5
161.13284	2.2
163.07535	44.9
175.14824	2.1
177.09071	10.6
184.16907	1.3
191.10825	1.3
259.82098	1.4
273.25754	3.1
291.26807	12.0
308.29495	34.2
326.30576	5.0
327.28925	2.4
344.27032	3.0
345.27881	5.2
362.30530	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13738	3.3
55.05515	16.8
56.03778	2.7
56.24879	2.7
57.07076	20.8
58.19125	2.8
61.65651	2.8
64.73758	3.1
67.05509	35.2
67.93713	3.2
69.07066	46.5
71.05034	2.9
71.08639	17.9
81.07063	54.5
83.08636	43.8
85.10172	5.4
91.05490	8.6
93.07040	6.2
95.08604	44.0
97.06505	11.9
97.10155	27.7
100.07565	7.0
105.07056	15.6
107.08640	6.9
109.10180	32.3
110.61217	3.6
111.08106	4.5
111.11727	6.5
114.09171	15.4
119.08614	7.0
121.10107	7.9
123.11710	7.7
131.04948	7.1
133.10120	20.2
135.11705	8.3
145.06476	6.7
147.11719	4.5
149.05998	46.8
149.13269	6.2
151.07553	6.4
151.14720	4.7
161.13252	5.3
163.07520	18.2
166.83981	3.8
177.09023	4.3
190.53038	3.5
241.68581	4.2
273.25766	18.7
291.26913	34.4
308.29456	100.0
326.30661	7.3
344.27344	6.2
362.26901	5.3
362.30701	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.8
56.44611	2.3
56.95345	2.3
57.03423	2.6
67.05505	53.8
69.07057	12.7
71.04983	4.0
71.08641	23.6
79.05490	13.4
81.07058	33.2
83.08619	23.1
85.06525	3.3
87.04421	3.1
91.05482	7.1
93.07063	24.7
95.08607	19.0
97.06544	3.9
97.10168	29.8
99.08071	12.7
105.07028	3.3
107.08577	19.1
109.10157	100.0
111.08074	4.8
119.08590	16.9
121.10179	5.2
125.09641	26.8
133.10124	7.1
135.11719	12.0
137.09631	7.0
142.79262	3.1
147.11688	4.4
149.13246	11.7
151.11169	5.2
155.10643	29.1
173.11745	73.1
177.12854	5.1
187.13295	71.5
195.13843	6.3
203.12755	19.7
205.04791	3.3
227.16434	16.0
277.21667	39.1
291.23172	6.8
295.22858	5.0
309.24188	45.9
362.26791	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65192	3.1
55.05513	18.8
67.05514	69.1
69.07039	4.6
70.52989	3.4
71.08621	21.8
71.94195	3.7
74.69863	3.4
77.73705	3.3
78.19275	3.6
79.05507	6.9
81.07063	41.7
83.08614	20.6
88.18650	3.1
91.05499	6.7
93.07037	25.3
95.04949	5.7
95.08591	19.9
97.06575	3.6
97.10157	38.6
99.08096	19.9
105.07040	4.5
107.08597	24.7
109.10160	100.0
111.08063	6.1
117.06993	4.1
119.08582	8.8
121.10155	4.9
125.09629	43.2
133.10086	4.4
135.08017	5.1
135.11696	5.6
137.09647	6.0
147.11717	6.5
149.13303	7.0
151.11201	6.2
153.09099	5.6
155.10684	30.0
161.13202	4.3
163.01244	3.6
173.11746	78.0
173.13206	7.4
187.13268	94.4
192.06523	6.0
203.12813	33.0
225.18582	4.2
227.16423	21.1
259.20602	5.9
277.21686	39.8
291.23169	20.2
309.24197	46.5
362.26077	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
58.76200	2.9
67.05502	41.3
70.22211	2.9
71.04991	100.0
71.08624	7.2
79.05489	6.8
81.07068	40.0
83.08620	4.5
91.05457	3.9
92.78002	3.0
93.07043	4.6
95.08616	7.8
97.10181	18.6
99.08073	4.9
99.45337	2.9
107.08588	6.1
109.10170	37.8
116.24986	2.9
118.08634	4.3
119.08627	4.5
121.10188	3.6
123.11726	13.5
125.09629	18.8
126.12860	3.2
135.11726	3.4
137.09636	4.3
155.10667	19.9
155.14304	61.1
156.20467	3.1
173.11740	62.3
180.35677	3.7
189.11232	14.3
218.01195	3.6
227.16391	12.0
277.21503	15.0
295.22772	4.7
347.06622	3.6
362.28598	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
55.61768	0.8
57.07079	7.4
58.53593	0.7
60.36219	0.7
61.78067	0.8
61.95357	0.8
67.05493	5.7
69.07071	10.5
70.07774	0.8
71.08633	2.2
75.02371	0.9
75.31020	0.8
76.61676	0.8
78.30734	0.8
79.05515	1.3
81.07054	9.6
83.08624	6.8
85.10181	1.9
92.20997	1.2
93.07049	1.6
95.08614	12.8
95.09557	0.9
96.98167	0.8
97.06544	1.3
97.10158	5.7
99.55991	0.8
100.07624	1.3
103.05448	1.8
105.07007	1.5
107.08582	2.1
108.08129	1.4
109.10167	7.4
111.11746	1.9
111.81982	1.2
114.09171	1.2
117.07012	2.2
119.08508	1.5
121.10122	3.8
121.55393	0.8
123.04411	7.4
123.11707	1.0
131.04915	18.2
131.08556	1.7
133.06406	1.0
133.10081	1.6
135.11632	1.5
137.05971	9.0
145.06476	12.0
147.11696	1.5
149.05980	100.0
149.13263	1.1
151.07545	34.7
159.08066	13.3
161.09549	1.2
161.13269	1.4
163.06181	2.0
163.07527	47.4
175.84641	1.0
177.09119	12.6
179.14279	1.0
260.20163	1.3
273.25748	1.0
291.26727	6.0
308.29465	16.8
344.27167	1.1
345.27872	5.6
362.26736	6.4
362.30508	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96661	0.6
55.05505	0.6
57.07069	1.7
69.07053	1.9
71.08623	1.1
79.05473	0.8
81.07050	1.9
83.08594	0.8
85.10199	0.8
92.21657	0.8
93.07008	0.9
95.08598	1.6
99.61416	0.8
103.05463	2.0
105.07024	1.0
117.06998	3.7
123.04417	4.7
131.04919	19.4
131.08504	2.8
137.05957	8.3
145.06496	16.1
149.05977	100.0
151.07545	36.8
151.08766	0.9
159.08040	13.6
161.09645	0.9
163.07529	48.6
166.08641	1.0
167.28868	0.7
175.43443	0.9
177.09116	14.0
191.10614	1.7
203.78178	0.7
345.27689	6.7
349.04086	0.8
362.30469	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3052
Annotation	S-2 Methanandamide
Peak:m/z	Relative Intensity
50.91032	1.0
55.05505	1.2
68.41776	1.0
70.06593	2.9
71.08614	4.7
72.08158	100.0
95.08656	1.6
98.06065	7.5
99.08133	2.3
131.48422	1.2
184.53323	1.3
210.18381	1.3
230.41571	1.4
264.23199	10.2
291.23166	1.5
362.30518	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	0.7
65.14224	0.8
69.07082	0.9
71.08634	1.3
72.75906	0.8
80.85958	0.7
81.07063	1.0
83.08619	0.8
95.08581	1.5
101.59529	0.8
103.05463	4.0
105.71983	0.7
110.91476	0.7
117.07027	1.8
123.04397	4.1
131.04945	16.0
131.08574	1.6
137.05962	9.5
145.06497	13.1
149.05980	98.4
151.07544	33.9
158.34628	0.9
159.08057	13.2
161.09634	0.9
163.07535	46.6
173.09538	0.9
177.09058	11.0
187.73241	0.9
191.10715	1.4
196.23239	0.9
265.01428	0.9
345.27914	4.5
362.30505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	4.3
57.07077	2.9
58.01530	0.8
58.06609	6.4
59.42125	0.7
60.04528	0.9
71.08628	1.1
74.06084	4.3
78.18418	0.7
79.85551	0.7
82.06135	0.7
86.06079	6.7
88.07118	1.2
88.07635	21.1
93.73559	0.7
104.07112	7.1
115.05059	0.7
116.41046	0.7
118.08658	1.5
132.10239	6.8
162.11235	3.6
166.10750	4.4
167.81651	0.8
218.44156	0.7
238.25224	1.1
264.09006	0.7
270.27911	50.0
280.95660	0.9
282.27789	1.3
309.19855	0.7
314.30511	16.5
344.31622	1.7
362.32635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	3.6
57.07081	2.2
58.06609	6.0
60.04531	1.0
60.12809	0.5
71.08624	2.9
74.06091	4.9
85.10181	1.1
85.72295	0.6
86.06073	6.8
88.07118	1.1
88.07637	20.9
104.07107	4.5
118.08698	0.9
124.53565	0.6
132.10199	6.8
162.11263	3.4
166.10750	3.6
172.80551	0.7
256.26340	0.7
260.92166	0.7
270.27921	49.4
279.26434	0.7
282.27875	1.4
314.30545	18.0
362.32651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53357	0.6
57.07076	2.8
70.06600	9.9
71.08611	0.6
72.08170	0.8
82.10921	0.6
84.08147	2.4
86.09697	1.5
88.07617	3.5
88.18415	0.5
90.06175	0.6
102.09184	1.0
108.29685	0.5
119.34650	0.6
128.49089	0.5
132.10216	13.8
133.38852	0.7
146.11765	10.5
212.23743	2.8
238.25180	2.7
256.26346	8.7
300.28967	69.7
348.59549	0.7
362.32654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.5
59.07747	0.6
70.06598	10.1
71.08636	1.2
71.37406	0.5
72.08149	0.9
73.35166	0.5
77.60426	0.6
81.43826	0.6
83.53925	0.6
84.08127	2.8
86.09716	3.2
86.42930	0.6
88.07644	2.4
89.58591	0.6
96.01886	0.6
100.58588	0.6
132.10217	14.3
146.11768	11.6
152.65762	0.6
161.39938	0.7
176.16093	0.6
212.23674	1.3
238.25270	1.0
256.26331	4.2
300.28964	78.7
315.09442	0.7
362.32657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64472	0.6
56.05038	4.6
57.07073	3.7
58.06606	8.6
60.04544	0.6
60.60299	0.7
65.89431	0.6
68.80849	0.6
71.08640	1.0
74.06074	6.5
75.29549	0.7
81.60715	0.7
86.06068	6.5
88.07639	18.2
100.07625	1.6
104.07114	6.0
118.08636	1.2
132.10208	8.5
142.00946	0.8
146.84093	0.8
162.11258	3.5
166.10767	3.4
256.26254	0.9
270.27905	49.0
282.28040	1.6
314.30579	17.5
344.31369	3.1
362.32626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42721	0.6
56.05043	2.8
57.07079	3.0
58.06613	7.4
64.90509	0.6
71.01849	0.5
71.08626	2.9
72.08159	0.8
74.06077	5.4
85.10192	0.7
86.06066	6.4
88.07631	14.6
100.07601	1.5
104.07100	4.8
118.08619	0.9
132.10234	6.4
162.11157	2.7
166.10764	5.0
216.75510	0.7
267.96246	0.6
270.27914	47.0
314.30521	18.4
321.25937	1.0
344.31647	1.1
362.32626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91121	0.5
57.07072	4.0
70.06590	9.3
71.08600	1.4
72.08136	0.9
75.51915	0.7
84.08139	1.1
86.09695	1.3
88.07621	2.9
102.09164	0.9
117.19263	0.9
118.63718	0.6
132.10202	12.4
146.11777	15.4
174.99615	0.6
193.62253	0.7
203.79994	0.8
212.23712	1.7
238.25252	1.5
240.27020	0.7
256.26331	12.3
300.28946	84.8
362.32605	100.0
378.27902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68558	0.5
54.08343	0.5
57.07072	2.3
58.74790	0.4
70.06593	10.1
71.08617	1.3
72.08166	2.4
84.08160	0.9
86.09696	3.0
88.07641	2.8
91.60220	0.6
92.21564	0.7
120.10452	0.7
132.10199	14.0
146.11758	13.7
172.22394	0.6
212.23724	3.3
238.25365	1.4
242.24974	0.7
256.26227	5.6
258.56873	0.7
300.28964	77.9
362.32632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
50.02157	0.6
56.05040	2.6
57.07082	3.5
57.97980	0.5
58.06604	7.6
60.04520	0.8
60.20562	0.5
71.08632	1.1
74.06075	5.6
85.10184	0.9
86.06055	7.5
87.04464	0.9
88.07629	20.4
95.81343	0.7
104.07116	6.3
120.85313	0.6
132.10208	6.7
162.11266	3.3
166.10709	3.5
270.27905	48.3
314.30493	16.1
344.31491	2.6
362.32632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44474	0.4
58.51184	0.5
65.92534	0.4
79.71425	0.5
99.89948	0.6
120.95612	0.5
135.20514	0.6
149.29755	0.5
152.04407	0.5
165.05449	5.8
165.09052	0.8
167.07034	3.9
172.03896	6.1
179.06827	0.5
188.03456	1.0
190.04977	66.9
218.04408	1.0
234.07780	2.9
257.58218	0.6
262.07339	0.8
276.06683	0.6
281.08533	1.0
287.08871	2.4
289.05920	0.6
291.07605	3.9
292.08429	2.4
301.05908	0.6
302.06693	1.0
303.07434	0.6
307.08267	3.0
315.07626	0.6
319.07153	6.2
320.07904	5.0
322.10538	3.0
323.11539	0.7
324.12262	0.7
330.06268	3.0
332.07663	2.8
333.08606	2.2
334.09464	2.2
336.08417	1.1
345.08624	2.5
347.06506	2.0
348.07361	2.7
354.16672	0.5
363.09634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00014	0.2
73.33283	0.2
78.04696	0.4
79.05483	0.4
80.76153	0.2
89.03879	0.3
89.72797	0.3
91.05509	0.4
91.71227	0.3
95.04974	0.3
99.04433	1.8
107.04926	1.1
113.69346	0.3
119.04903	0.3
121.06481	1.3
123.04431	2.7
124.05187	1.1
131.04912	1.7
134.03586	0.3
137.05983	0.3
149.05986	0.5
151.03914	1.6
152.04677	0.6
153.05446	0.5
161.05974	0.4
167.07022	100.0
176.04675	0.6
177.05475	1.0
181.06471	1.2
181.08595	1.1
183.07979	0.3
191.07004	2.6
193.08594	0.3
195.08049	0.6
198.06737	0.5
209.05986	0.4
210.06783	0.3
213.09134	1.4
225.09344	0.3
239.06999	0.3
241.08559	1.0
243.06531	0.4
263.96515	0.2
269.08005	0.5
270.08755	0.5
271.05804	0.3
273.11066	0.5
285.07639	0.4
285.11050	0.4
288.06262	0.3
301.10568	1.9
313.10767	3.5
314.11560	0.3
318.10953	15.7
322.10861	0.4
333.13266	5.5
345.13361	4.2
368.65048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1431
Annotation	5Z-7-Oxozeaenol
Peak:m/z	Relative Intensity
52.38191	0.3
66.92505	0.4
78.04623	0.4
79.34494	0.4
95.29339	0.5
99.04436	0.8
107.04938	0.7
121.06470	0.7
123.04406	3.7
131.04906	1.0
137.06041	0.4
161.05974	0.5
163.07350	0.4
167.07030	100.0
181.08617	0.6
191.07022	1.5
201.90285	0.4
213.09084	0.5
220.90570	0.5
273.11292	0.6
276.48489	0.4
301.10706	1.6
313.10590	2.6
315.12097	0.5
318.07507	0.9
318.10974	12.9
318.14740	0.5
333.13162	5.1
345.13379	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37135	0.2
64.99003	0.2
65.67065	0.2
78.04706	0.5
80.28793	0.2
95.05006	0.3
99.04460	0.4
106.04128	0.3
107.04992	0.3
121.06515	1.4
123.04425	3.2
124.05212	1.1
131.04893	0.6
133.06494	0.3
134.03546	0.3
137.05963	0.4
142.87242	0.3
152.04759	0.5
157.13812	0.2
167.07031	100.0
181.06464	1.1
181.08659	1.0
191.07037	2.2
195.07910	0.4
198.06769	0.3
211.07582	0.5
213.09192	0.5
223.07533	0.3
226.06187	0.4
237.05377	0.3
239.07031	0.5
240.07733	0.4
241.08557	1.0
267.10287	0.3
270.08923	0.3
273.11276	1.0
285.07645	0.3
301.10812	2.0
302.11520	0.4
313.10709	2.7
318.10971	16.6
333.13345	6.0
345.13257	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00014	0.2
73.33283	0.2
78.04696	0.4
79.05483	0.4
80.76153	0.2
89.03879	0.3
89.72797	0.3
91.05509	0.4
91.71227	0.3
95.04974	0.3
99.04433	1.8
107.04926	1.1
113.69346	0.3
119.04903	0.3
121.06481	1.3
123.04431	2.7
124.05187	1.1
131.04912	1.7
134.03586	0.3
137.05983	0.3
149.05986	0.5
151.03914	1.6
152.04677	0.6
153.05446	0.5
161.05974	0.4
167.07022	100.0
176.04675	0.6
177.05475	1.0
181.06471	1.2
181.08595	1.1
183.07979	0.3
191.07004	2.6
193.08594	0.3
195.08049	0.6
198.06737	0.5
209.05986	0.4
210.06783	0.3
213.09134	1.4
225.09344	0.3
239.06999	0.3
241.08559	1.0
243.06531	0.4
263.96515	0.2
269.08005	0.5
270.08755	0.5
271.05804	0.3
273.11066	0.5
285.07639	0.4
285.11050	0.4
288.06262	0.3
301.10568	1.9
313.10767	3.5
314.11560	0.3
318.10953	15.7
322.10861	0.4
333.13266	5.5
345.13361	4.2
368.65048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10170	1.0
52.36328	1.1
55.85796	1.2
55.99721	1.3
57.03438	2.7
60.54100	1.2
61.02920	9.5
63.02639	1.5
69.03442	12.6
70.03761	6.3
70.06596	2.5
71.04961	2.1
73.02923	2.4
81.03422	6.4
84.08142	2.0
85.02907	100.0
86.03236	33.9
86.09711	1.7
86.37151	1.3
87.04455	2.5
88.04836	1.3
91.03955	2.5
92.04305	2.2
97.02879	23.9
98.03217	12.5
98.97567	6.4
99.04434	3.3
99.84661	1.3
100.04783	2.3
102.94111	1.4
109.02894	7.4
110.03240	3.0
113.81901	1.4
115.03969	1.3
119.04922	8.0
120.05274	6.1
123.04439	5.0
124.04804	2.7
126.80915	1.7
127.03918	20.8
128.04257	10.9
137.05963	24.7
138.06305	32.0
145.04947	22.2
146.05276	15.1
148.04778	2.5
158.99654	2.1
161.76395	1.4
163.06023	2.5
165.05493	8.8
166.05835	16.3
167.94240	1.7
177.00702	1.5
180.08653	13.5
181.09009	8.8
183.06529	2.9
184.06898	6.5
186.57976	1.4
195.92006	1.3
200.09177	5.0
201.09511	8.7
203.07010	1.5
204.07320	2.6
218.11758	10.6
219.01746	2.8
228.07742	2.0
232.06743	3.1
237.02850	5.3
246.08598	2.0
250.07971	15.1
283.14447	2.2
292.08945	6.9
301.15466	21.2
306.58057	1.6
311.22620	1.8
321.08569	5.2
345.14105	2.1
363.10562	2.6
363.15015	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28307	0.3
53.03731	0.3
53.03959	3.3
57.03447	0.3
59.93797	0.3
62.60852	0.3
69.03432	3.2
71.04999	1.5
81.03423	9.4
85.02914	7.0
85.06541	0.6
93.07083	0.3
97.02875	4.2
97.03419	0.4
99.04460	100.0
109.02895	2.1
109.06516	0.5
117.05492	9.3
124.39757	0.4
127.03938	4.0
145.04942	3.1
151.07460	0.5
167.07031	8.2
177.05397	0.6
182.58661	0.3
197.08672	0.4
217.10571	0.4
243.08600	1.6
261.09680	3.2
329.40289	0.3
335.09653	0.4
363.09656	4.2
384.27869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
58.06601	10.5
71.67627	1.5
75.12578	1.4
78.46024	1.5
81.03410	8.2
85.02911	9.3
97.02863	5.9
99.04458	100.0
117.05493	11.5
127.03879	2.4
133.06140	1.7
181.67586	1.9
191.07080	1.8
192.07707	3.2
193.08192	6.9
208.09715	1.8
240.17128	1.9
261.09293	2.0
328.12622	2.3
363.09363	13.5
363.24390	6.0
384.43036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
61.97739	0.8
69.03426	3.0
70.00266	0.7
71.04992	4.4
80.00443	0.6
81.03423	11.0
83.29243	0.7
85.02914	7.0
88.85779	0.7
95.04935	0.8
97.02905	4.1
97.62538	0.8
99.04453	100.0
109.02892	2.7
111.66857	0.6
113.81863	0.7
117.05458	7.9
123.59130	0.6
127.03916	5.3
130.30580	0.7
145.04948	3.6
147.11653	0.9
165.12732	2.9
167.08249	0.8
201.05423	0.7
225.13405	0.6
243.08649	0.9
261.09665	1.2
363.11325	0.8
370.07193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
54.26144	0.2
57.03433	0.4
61.02932	0.6
69.03445	3.7
71.05003	0.7
73.02928	0.4
81.03423	10.1
85.02425	0.6
85.02912	9.4
85.03427	0.3
85.06544	0.7
97.02885	4.4
97.06583	0.3
99.04460	100.0
103.07554	0.4
109.02902	2.2
109.06561	0.4
113.06051	0.4
115.03995	0.3
117.05502	9.1
117.06322	0.4
127.03921	4.2
145.04918	2.3
151.07590	0.4
158.99637	0.4
180.00975	0.4
187.26349	0.3
229.10738	0.4
243.08675	0.5
247.11635	0.4
249.98055	0.3
261.09763	2.0
288.98199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36506	1.0
53.03951	4.7
62.63728	0.8
69.03411	4.1
72.02705	1.0
81.03422	11.8
85.02917	9.0
87.48859	1.1
89.58898	1.2
97.02917	2.6
97.06509	1.0
99.04455	100.0
104.65386	1.1
109.02901	1.3
111.75961	1.1
117.05492	8.7
127.03890	2.3
127.63106	1.1
145.04945	2.4
147.72626	1.1
151.92650	1.0
167.06937	1.8
211.74467	1.1
240.82243	1.1
261.09592	1.6
313.46194	1.2
363.24438	28.4
373.33911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
56.37658	0.6
58.78720	0.5
63.98566	0.6
69.03429	4.2
81.03429	10.2
82.10116	0.7
85.02924	7.2
97.02885	4.3
99.04459	100.0
109.02892	2.5
115.07591	0.7
117.05486	10.7
122.17560	0.6
127.03929	4.7
145.04987	3.0
167.06993	7.6
167.20058	0.6
177.20171	0.7
181.08725	0.8
183.04259	0.7
255.24962	0.8
261.09735	3.8
318.10861	1.1
347.10797	0.9
348.11795	1.4
363.10117	1.1
363.14163	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48975	0.5
53.03954	2.8
53.25425	0.6
57.07071	3.1
58.06590	1.5
67.05502	1.5
69.03436	2.4
71.05003	1.1
81.03422	6.7
83.04974	1.5
85.02905	12.6
85.06544	100.0
89.74085	0.7
97.02896	2.4
97.44971	0.5
99.04453	54.5
101.06016	1.2
103.07569	2.9
109.02853	1.4
117.05447	2.4
121.08604	2.8
127.03901	3.9
131.07021	0.8
139.65952	0.6
145.04881	0.6
167.06990	1.3
261.09576	0.7
265.12830	0.7
334.10818	1.2
363.09427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
57.03444	0.5
69.03438	4.3
70.89333	0.5
71.04987	2.5
72.66943	0.4
79.21084	0.5
81.03426	9.3
83.04961	0.5
85.02913	8.6
85.06535	2.0
89.06042	3.7
94.34387	0.4
97.02888	4.6
99.04457	100.0
109.02883	2.2
117.05487	10.4
125.31734	0.4
127.03944	4.3
134.41212	0.5
145.04988	3.1
146.18257	0.5
193.08694	0.6
211.09682	0.6
225.77672	0.5
243.08693	0.9
261.09644	2.8
276.39532	0.5
358.27121	0.6
363.09427	6.0
363.15771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
52.34206	6.2
55.05506	34.9
57.03437	54.8
57.03693	6.9
62.31415	6.9
67.05506	30.5
69.07067	11.2
72.58619	7.4
78.04797	7.5
79.05484	43.9
80.05176	7.8
81.07058	17.5
84.23044	7.1
87.19140	7.7
91.05478	10.5
93.07018	13.4
95.08591	9.6
97.10157	19.6
98.29639	8.3
99.04475	14.3
102.76354	9.8
105.07071	9.6
107.04976	17.7
107.08599	30.6
109.10162	14.3
112.51165	8.2
117.07048	10.5
119.08572	14.7
135.08072	35.9
145.04970	12.2
159.08057	20.7
167.07036	20.2
192.79813	8.6
203.10582	9.6
215.14397	10.8
227.52029	8.4
233.15329	9.7
271.16846	10.9
289.17999	51.4
307.08252	15.2
322.10687	17.5
352.76831	8.4
363.14172	15.8
363.21652	100.0
363.25812	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15357	1.2
52.48523	1.3
55.01867	8.9
55.05516	30.3
57.03189	3.1
57.03446	61.6
58.16839	1.5
67.05174	2.7
67.05506	38.5
69.03448	2.1
69.07067	3.8
79.05492	39.5
81.03400	2.5
81.07050	23.4
83.04974	2.8
83.08617	8.1
88.86485	1.8
91.05473	11.1
93.07043	19.2
95.04960	3.9
95.08610	3.8
97.06503	2.3
97.10169	23.0
105.07040	3.6
107.04938	20.8
107.08604	27.7
109.06525	7.0
109.10139	8.7
111.08102	2.0
117.06974	13.0
119.08564	10.4
121.06503	3.2
121.10188	2.1
125.09640	14.2
129.07013	2.6
131.08577	3.4
133.10143	2.2
135.08060	25.8
137.09633	4.0
143.08524	3.0
145.06563	2.3
145.10141	7.2
147.08063	3.2
153.09120	10.3
155.08556	2.5
159.08049	29.6
163.07526	10.1
167.07007	2.5
167.85413	1.8
171.10208	2.7
177.09189	3.4
187.14853	1.9
189.11217	8.8
215.14349	9.8
218.16583	1.7
233.15332	16.8
243.17433	2.0
261.18423	3.4
271.16965	19.3
289.17917	48.0
289.21045	2.5
307.08359	7.5
322.10800	11.6
363.09778	2.9
363.14175	7.6
363.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2528
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
57.03415	1.5
57.07080	14.7
67.05512	1.9
68.01107	1.2
69.07056	1.4
81.07053	5.7
85.06560	10.5
89.06026	2.8
91.05460	2.2
92.20930	1.5
95.08587	2.0
103.09652	1.3
105.07053	2.1
107.08617	3.0
109.06516	12.6
109.10270	1.4
119.08587	2.9
133.10115	2.3
135.08087	6.8
137.06084	2.1
138.86986	1.5
139.91168	1.3
145.10147	1.9
146.24142	1.3
151.07556	9.0
159.11749	2.0
168.61987	1.5
193.12271	11.9
250.50725	1.4
258.81583	1.4
261.18494	100.0
275.20120	1.7
345.24078	10.8
363.25256	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2527
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
54.14096	2.5
54.84538	2.4
55.05532	3.7
62.10591	3.0
62.80103	2.6
67.05502	20.7
69.07068	17.8
69.30447	2.8
81.07044	19.0
83.04941	3.4
83.08632	3.8
84.12588	3.0
85.06526	3.8
93.07039	19.5
95.08607	19.4
95.80240	3.3
97.06533	12.9
107.08583	15.7
109.10157	5.6
116.29713	3.2
121.10162	5.6
135.11685	23.0
137.13368	2.9
146.91753	3.2
147.11697	3.6
150.02623	2.9
153.12772	4.6
167.07088	3.9
177.12735	4.5
191.10663	100.0
191.12265	5.6
203.14304	4.4
210.10185	3.2
217.14366	15.2
255.12646	3.6
271.34052	3.6
317.24817	6.2
322.10669	4.1
345.24268	77.0
348.89624	3.1
363.25125	50.9
363.28949	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.253
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
55.05514	5.2
56.82719	2.7
67.05509	13.4
69.07080	4.9
72.23019	3.5
79.05487	15.6
81.07066	25.6
91.05486	13.5
93.07031	40.9
95.04978	3.9
95.08588	15.4
97.06541	4.2
97.10220	3.6
99.08087	14.8
105.07029	17.0
107.04922	5.9
107.08588	21.9
109.10184	12.5
119.08582	17.8
121.10144	33.8
123.08092	6.7
131.08585	6.5
133.06465	4.4
133.10124	26.6
135.08049	4.8
136.29506	3.3
143.08545	6.2
145.10114	53.2
147.11652	5.0
149.09610	6.3
151.07529	4.6
155.08556	6.8
157.10120	38.8
159.08061	8.5
159.11726	16.5
161.09491	4.2
169.10088	8.0
171.11642	5.6
173.13281	6.1
183.11693	4.8
185.13263	5.8
187.11143	4.2
187.14734	4.1
195.11705	5.2
197.13275	26.9
199.14783	3.8
215.14310	43.9
241.78842	3.5
247.16971	22.4
253.19569	6.4
267.20956	8.0
271.06363	3.6
280.31674	4.5
281.15921	4.2
295.20602	29.5
299.23767	6.3
313.21637	6.4
327.23157	20.4
345.24265	100.0
363.10962	5.1
363.16867	15.6
363.21509	21.7
363.25513	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2522
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
50.07856	0.7
52.37680	0.8
53.39453	0.8
55.05511	1.5
57.07083	24.4
60.78829	0.9
67.05497	7.8
69.07069	5.3
79.05489	1.6
81.07058	8.9
83.04949	1.2
85.06541	18.4
89.54794	0.9
91.05447	1.4
93.07056	3.8
95.08607	8.8
105.07011	1.7
107.07079	0.9
107.08603	4.3
109.06511	1.1
109.10162	4.1
111.04418	1.0
118.15920	1.0
119.08588	4.3
121.10120	1.5
123.08080	1.4
133.10144	1.3
135.08101	2.0
135.11682	2.3
145.10118	1.8
149.09618	1.5
149.13264	1.7
159.70734	0.9
165.12755	1.5
168.15942	1.1
179.14302	1.9
191.10722	2.1
191.14322	2.3
197.11681	2.2
197.41982	1.0
222.54509	1.0
235.20624	8.1
261.18506	2.1
279.19562	6.0
279.23160	1.6
303.26926	1.3
331.26251	12.0
345.24100	2.0
345.27875	3.7
363.25067	100.0
363.29071	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2639
Annotation	13alpha-(Caproyloxy)lupanine
Peak:m/z	Relative Intensity
52.07013	1.4
55.05513	3.6
58.06594	1.8
59.06144	2.4
67.02244	1.6
67.05513	19.0
69.07076	6.9
70.02657	1.4
70.06593	7.6
72.08157	3.0
79.05492	8.9
81.07067	15.8
83.08615	2.7
85.06544	3.2
85.07671	100.0
86.08469	4.0
87.09232	2.8
91.05492	2.4
92.21342	2.0
93.07053	15.1
95.08615	16.8
96.08097	1.9
105.07032	7.5
107.08576	3.3
108.08134	3.1
108.33484	1.7
109.06519	1.5
109.10163	7.3
110.09695	2.2
111.05549	1.6
113.07137	1.9
119.08578	8.9
121.10119	11.3
122.09566	2.1
122.83252	1.6
123.09280	1.8
131.08545	1.9
133.10146	8.1
135.11720	3.9
136.11240	2.8
140.84232	1.5
145.10068	1.9
147.11661	2.3
157.10091	2.1
159.11671	2.2
160.11246	1.7
161.13179	1.8
223.89136	2.1
292.22693	3.3
320.25772	8.6
321.25192	9.9
336.25284	2.5
345.25336	16.4
363.26328	83.0
363.30197	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76305	2.2
52.57701	3.1
54.37681	2.3
55.05503	3.3
67.05487	6.8
69.07063	15.2
72.60898	2.7
81.07046	15.8
82.56263	2.8
83.08617	5.4
89.11778	2.5
93.07054	4.7
94.06586	3.3
95.08609	21.3
97.10168	3.7
100.05123	5.4
101.07150	3.1
107.08575	6.9
109.07578	4.0
109.10126	4.8
111.81168	2.9
119.08564	6.2
121.10119	10.4
123.08077	60.6
123.11700	2.8
135.11763	3.6
137.09612	3.9
179.14293	26.4
192.31970	3.1
282.22345	2.9
307.22571	5.6
321.30865	3.8
345.25235	5.4
363.29608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41269	3.8
53.87646	3.5
55.05511	22.2
56.66360	4.1
57.07069	9.9
67.05510	75.8
69.07060	30.7
70.56559	4.1
71.05026	4.1
71.08627	4.9
72.34797	4.3
79.05495	32.1
81.07059	100.0
83.04989	6.3
83.08623	10.9
85.06538	10.4
91.05470	20.1
93.07047	60.7
95.04967	8.5
95.08611	85.1
105.07039	51.6
107.08581	53.1
109.06535	23.9
109.10145	52.6
119.08580	52.0
121.10103	42.8
123.11678	33.1
125.09663	5.1
131.08585	18.9
133.10146	43.2
135.11659	35.7
137.13327	5.3
145.06500	5.5
145.10114	24.9
147.11670	27.0
147.88713	4.5
149.05968	54.3
149.13286	16.1
150.06348	12.0
151.07562	5.1
152.07925	6.1
157.10089	5.3
159.08031	20.7
159.11684	10.6
161.13269	8.0
163.07532	7.1
163.14864	6.4
164.07886	9.8
173.13237	11.4
175.14862	8.8
223.17020	6.5
259.43771	5.5
261.18442	5.3
261.22098	25.6
275.61557	4.7
277.21518	6.6
279.23230	8.3
345.24072	8.7
345.27853	68.9
363.24817	11.2
363.30106	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68785	0.9
56.71858	0.9
57.07060	1.0
60.29621	1.3
69.07083	1.9
71.08627	1.4
81.07050	2.8
95.08615	3.0
100.63212	1.2
109.06512	6.4
119.08567	1.8
123.08083	9.3
135.33250	1.3
147.11667	1.5
179.14302	100.0
179.89403	1.4
190.39268	1.5
193.15771	1.9
230.37312	1.4
280.76425	1.3
307.08643	1.7
322.10913	4.5
324.82361	1.4
327.64816	1.6
351.67932	1.5
363.10016	1.3
363.28949	70.4
363.33469	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05507	3.3
65.22314	2.1
69.07055	4.3
69.61163	2.0
81.07066	9.4
83.72559	2.1
92.21461	3.0
95.08611	3.9
97.06538	3.2
109.10088	3.0
118.77090	2.2
119.08553	2.5
122.50919	2.3
123.08067	28.1
137.09613	2.9
153.99324	2.5
167.15468	3.6
179.14279	9.9
192.34416	2.2
270.16641	2.8
294.15924	2.3
307.08490	3.0
307.22586	8.9
322.10645	5.7
331.27051	2.6
363.29370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82892	5.5
55.05538	7.1
55.20374	7.6
59.06124	13.1
62.96141	6.4
67.05507	17.4
70.30106	6.6
77.38446	6.3
81.07041	12.9
81.75650	7.4
95.08604	7.3
101.96889	7.7
107.08546	6.8
109.07687	14.0
110.07224	7.1
124.46216	7.2
124.84427	8.2
131.08522	9.5
135.11758	7.4
194.06792	7.3
283.55460	7.4
363.25977	62.4
363.30200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.2
67.05515	3.6
69.07068	4.8
70.06588	1.1
81.07072	3.9
83.08620	0.9
95.06102	1.8
95.08597	3.7
95.84216	0.8
96.06877	0.9
98.29711	0.8
99.50439	0.8
100.11301	0.9
103.69273	0.7
107.08614	1.3
109.07627	6.6
110.08458	1.4
119.08591	0.8
121.10159	0.9
123.08078	8.4
133.10097	1.2
140.14299	2.8
165.13918	3.4
166.14690	3.6
167.15442	6.2
179.14293	3.1
221.16550	1.3
226.17978	1.1
251.17603	1.3
252.18323	1.2
253.19077	6.1
307.22580	1.0
331.27353	5.9
363.18497	1.8
363.29971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79176	0.6
74.55959	0.6
78.29037	0.7
80.72239	0.6
228.64096	0.8
235.06279	1.8
263.05731	1.2
264.06552	4.6
265.07336	6.1
276.06494	1.4
277.07220	1.1
290.08023	1.1
291.05365	1.1
292.06061	11.2
293.06705	5.0
298.53619	0.8
303.05267	4.1
304.06223	0.7
305.06882	1.1
306.07568	1.1
308.05713	0.9
308.08932	0.8
318.07529	6.0
319.04794	1.1
320.05536	25.6
320.08917	1.0
321.06305	12.6
331.04831	3.4
334.07071	21.4
334.10565	1.1
336.08609	1.4
346.07077	1.7
348.04895	6.2
349.05939	6.5
349.09351	7.5
364.08054	100.0
364.11850	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39330	0.4
57.62156	0.5
69.04546	0.9
78.86159	0.5
84.40508	0.5
113.94011	0.5
123.59740	0.5
144.28539	0.5
148.43315	0.6
154.89963	0.6
155.44406	0.5
163.37469	0.6
182.25932	0.5
190.04979	2.8
235.06291	2.9
263.05777	3.4
264.06558	4.8
265.07437	2.4
290.08133	2.6
291.08664	0.6
292.06012	9.2
293.06812	2.9
302.04080	0.8
303.05304	5.9
306.07675	0.8
308.05518	1.3
318.07556	6.7
320.05499	16.2
321.06351	2.4
327.27411	0.7
331.04810	3.8
332.05353	0.7
334.07101	0.8
336.08707	0.7
346.07147	3.7
348.04910	6.5
349.05753	10.2
349.09589	0.9
364.08121	100.0
364.28464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22591	0.5
68.84991	0.5
92.20973	0.9
104.86230	0.5
168.07263	0.9
190.04982	2.7
190.29428	0.5
207.61453	0.6
235.06265	1.2
249.07744	0.8
262.08545	1.1
263.05823	4.4
264.06503	4.8
265.07291	1.4
276.06552	1.3
277.07294	1.0
285.51541	0.6
290.08047	1.4
292.06006	10.7
293.06808	5.4
303.05347	5.5
306.07776	0.7
308.05624	1.0
318.07654	5.5
319.04980	0.7
320.05524	18.3
320.08768	0.8
321.06403	3.6
331.04691	4.3
334.07065	3.9
336.08685	2.4
346.07114	5.0
346.27466	0.7
348.04907	7.2
349.05869	9.9
349.09592	1.2
364.08109	100.0
364.11624	4.9
364.28214	5.0
387.44034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42825	0.3
56.76648	0.4
58.87303	0.3
65.99956	0.4
83.96777	0.4
92.21523	0.6
92.50455	0.4
116.37623	0.4
120.21680	0.4
146.77083	0.4
182.51682	0.5
190.04994	2.3
200.33353	0.4
208.54356	0.4
218.04343	0.5
235.06273	1.7
236.06935	0.5
242.24765	0.8
248.07259	0.4
261.07748	0.5
262.08759	0.6
263.05707	3.0
264.06528	4.3
265.07352	1.9
274.05072	0.4
275.05804	0.6
276.06595	0.7
277.07352	0.9
288.06210	0.5
289.07385	0.4
290.08084	3.2
291.05374	0.5
292.06018	8.6
293.06732	3.8
302.04340	0.7
303.05292	6.4
304.06161	0.4
305.06888	0.6
306.07510	1.7
308.05505	1.5
318.07581	6.8
319.04697	0.5
319.08160	0.5
320.05594	16.7
320.09210	2.9
321.06223	3.5
331.04709	3.4
332.05487	0.7
334.07059	7.9
335.07828	0.8
336.08917	1.1
346.07047	4.4
348.05011	5.4
348.08673	0.7
349.05704	12.0
349.09494	8.9
364.08075	100.0
364.11829	10.5
364.27960	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67372	0.8
51.68875	0.9
65.96586	0.9
99.04446	1.8
119.78175	0.9
124.34412	1.2
130.02902	1.2
151.30357	1.2
167.07021	1.5
168.07378	1.9
176.12801	1.0
201.50844	1.1
238.79373	1.1
275.05728	4.7
275.19971	1.1
291.05368	1.5
292.06030	50.7
293.06668	1.6
304.05936	1.7
306.03836	2.6
318.07639	2.0
320.05508	60.7
320.08704	2.5
320.12848	6.7
321.06259	34.8
321.09702	2.3
332.12567	1.3
334.07019	16.6
334.10764	6.7
336.08636	100.0
341.45493	1.2
346.07086	1.6
348.12292	11.9
349.05756	4.4
349.09354	6.6
349.13098	10.4
364.08023	45.8
364.11716	7.3
364.15451	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57468	0.7
72.91620	0.6
79.17268	0.6
83.62895	0.6
88.60089	0.6
91.27901	0.5
118.17815	0.6
147.26152	0.7
190.05063	2.5
206.54971	0.6
218.71448	0.8
235.06183	0.9
242.24818	1.2
263.05789	3.1
264.06558	4.2
265.07269	0.9
276.06573	1.0
277.07278	0.8
280.06281	0.8
290.08209	2.2
292.06036	9.1
293.06845	2.8
299.38574	0.7
303.05173	5.0
308.05310	2.3
318.07584	6.1
320.05551	17.7
320.09003	1.4
321.06421	2.7
331.04785	3.8
334.07050	1.2
336.08658	1.1
346.06769	4.5
348.05060	4.3
349.05984	8.2
349.09628	1.1
364.08133	100.0
364.11591	4.0
364.24496	1.1
364.27869	1.7
364.31021	1.0
383.61313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04555	1.3
70.73178	1.0
127.56336	1.2
135.46133	1.0
140.46278	1.3
154.96877	1.2
188.87560	1.1
215.18338	1.1
218.19373	1.1
235.73936	1.1
276.15634	2.2
292.06143	2.2
293.07013	1.6
312.07581	1.2
316.05829	1.4
318.07611	1.4
320.05676	6.4
320.09222	1.8
321.06641	1.8
332.09302	1.4
333.06372	1.9
334.07336	7.9
334.10797	1.2
336.08600	1.9
349.09506	7.2
364.08032	16.7
364.11749	100.0
364.20691	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02281	0.3
79.34451	0.3
96.84502	0.3
133.94478	0.3
190.05014	1.3
196.30487	0.3
200.30220	0.4
218.04436	0.4
236.38582	0.4
291.05313	1.8
303.08795	1.7
305.06741	2.1
306.07629	2.3
318.07700	1.3
320.05896	0.4
320.09152	3.3
332.09161	0.6
334.07077	100.0
348.08517	3.8
349.09430	40.4
364.11774	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99392	0.5
55.37998	0.5
94.65192	0.7
95.55661	0.7
117.63637	0.6
121.06368	0.7
126.00558	0.7
190.04938	1.4
246.75626	0.7
253.77936	0.7
291.05270	1.4
294.09503	3.3
303.08951	3.1
305.06790	1.4
306.07574	3.3
320.05670	1.3
320.09195	5.7
320.12634	1.1
321.09891	1.1
329.49710	0.8
331.12091	3.0
332.12833	0.9
334.07074	100.0
334.10480	4.2
336.08374	1.1
346.20352	0.8
348.08420	4.8
348.12274	1.0
349.09393	40.6
349.13052	3.3
353.09995	0.7
364.08084	5.5
364.11734	75.1
364.15744	10.0
368.17087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1174
Annotation	6-Oxochelerythrine
Peak:m/z	Relative Intensity
63.47189	0.5
65.15309	0.7
66.94314	0.6
69.02075	0.6
81.38885	0.5
127.01392	0.8
142.39120	0.7
291.05292	1.5
303.08951	2.8
305.06662	2.5
306.07629	3.7
309.94797	0.7
320.09213	3.5
334.07068	100.0
348.08606	4.3
349.09442	41.3
364.11777	68.5
384.40622	0.7
385.06403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1174
Annotation	6-Oxochelerythrine
Peak:m/z	Relative Intensity
54.48192	0.6
56.01479	0.6
65.18430	0.6
71.74878	0.7
83.83294	0.6
93.56543	0.6
121.06519	2.7
131.12325	0.7
158.53166	0.6
190.05003	0.8
193.09482	0.8
233.29839	0.7
235.14400	0.7
291.05219	1.5
303.08844	1.1
305.07053	0.7
306.07489	1.6
320.09137	3.1
332.08990	0.7
334.07056	100.0
348.08643	5.0
349.09439	39.2
364.11765	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1177
Annotation	6-Oxochelerythrine
Peak:m/z	Relative Intensity
50.92554	0.6
63.41053	0.6
66.94718	0.6
68.84841	0.7
81.79172	0.7
82.42213	0.6
83.58259	0.7
87.78722	0.8
92.20901	0.7
98.97584	6.9
108.22300	0.6
116.98640	1.4
130.75986	0.7
151.16858	0.8
155.09526	0.8
157.21474	0.7
158.99670	3.1
167.07037	4.7
168.07391	3.1
177.00748	0.7
181.08652	1.3
199.83694	0.8
205.08566	1.0
205.62659	0.7
208.76532	0.7
263.05768	1.3
264.06787	0.8
275.05890	1.1
278.85522	0.8
291.05472	1.2
292.06039	9.6
293.06845	1.6
303.08905	1.4
305.06805	1.4
306.07825	2.8
307.04636	1.2
308.09052	1.0
318.07629	2.6
320.05539	19.2
320.09109	2.7
321.06351	11.2
321.09811	1.2
332.09329	0.8
334.07089	100.0
336.08664	60.1
336.12909	2.3
348.08786	5.5
348.12567	1.0
349.05795	1.4
349.09433	38.0
364.08008	14.7
364.11865	73.0
367.15656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48192	0.6
56.01479	0.6
65.18430	0.6
71.74878	0.7
83.83294	0.6
93.56543	0.6
121.06519	2.7
131.12325	0.7
158.53166	0.6
190.05003	0.8
193.09482	0.8
233.29839	0.7
235.14400	0.7
291.05219	1.5
303.08844	1.1
305.07053	0.7
306.07489	1.6
320.09137	3.1
332.08990	0.7
334.07056	100.0
348.08643	5.0
349.09439	39.2
364.11765	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1178
Annotation	6-Oxochelerythrine
Peak:m/z	Relative Intensity
59.07350	0.2
65.31530	0.2
69.81537	0.2
74.81297	0.3
96.95953	0.2
98.57685	0.2
121.06393	0.4
190.04999	1.7
263.05695	0.2
272.13318	0.2
291.05286	2.1
292.05893	0.4
292.09424	0.4
303.05637	0.4
303.08835	2.7
304.06003	0.3
305.06769	2.7
306.07574	3.1
318.07599	1.5
318.20874	0.3
320.05453	1.1
320.09140	3.1
328.22696	0.9
332.09058	0.6
334.07074	100.0
335.08008	0.3
336.08463	0.3
346.07022	0.3
346.20111	0.5
346.23865	3.1
348.08597	4.5
348.12369	0.3
349.00333	0.3
349.09430	37.9
364.08139	4.2
364.11792	75.2
364.24585	4.7
368.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1287
Annotation	Circumdatin E
Peak:m/z	Relative Intensity
60.04541	0.6
74.19884	0.2
80.70550	0.2
82.69740	0.2
99.04443	0.4
117.64093	0.3
120.08025	0.3
129.01201	0.3
141.06937	0.2
260.35257	0.3
293.09213	30.3
346.26089	1.1
364.12924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55679	0.5
55.28205	0.7
58.13344	0.6
58.52847	0.6
67.94315	0.6
92.20971	0.7
121.06558	0.8
157.48352	0.7
164.55893	0.7
167.07100	1.1
198.98462	0.7
292.05954	0.6
303.12411	1.2
306.11133	5.8
319.12024	1.5
320.09143	1.4
320.12851	28.9
332.09259	1.2
332.12610	5.9
333.10269	0.8
334.07129	2.0
334.10709	27.0
335.11511	1.4
348.12283	56.4
348.60358	0.8
349.13040	22.4
364.08060	4.7
364.15469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Buxifoliadine-G
Peak:m/z	Relative Intensity
52.63368	0.5
55.53591	0.5
58.11980	0.5
60.29110	0.5
75.32036	0.7
77.63297	0.5
86.43728	0.6
125.44392	0.6
160.17542	0.7
167.07001	3.9
168.07358	3.4
243.24304	0.6
250.10936	0.7
303.12494	2.3
304.09589	0.8
306.11276	6.1
318.07681	3.2
319.08286	0.6
319.11816	2.4
320.05554	3.1
320.12787	29.3
331.12112	2.5
332.12820	6.4
333.09866	0.8
334.07300	1.6
334.10730	27.4
346.10080	0.7
348.12277	60.9
349.06110	1.1
349.13104	27.2
349.17380	1.0
364.08432	15.0
364.15411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.154
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50757	0.5
93.48955	0.5
101.80905	0.6
130.52419	0.5
144.50227	0.6
192.75407	0.5
223.17455	0.6
246.78484	0.5
263.16180	0.6
268.15866	0.5
275.05670	1.2
278.04599	1.2
288.10321	0.9
291.05176	1.0
292.06027	32.8
293.06693	0.6
302.11700	3.3
303.12558	4.8
304.06128	1.2
306.03995	2.6
307.04712	0.7
316.09680	8.3
320.05505	42.3
320.09195	12.3
320.12918	3.1
321.06302	25.2
330.11240	19.4
331.11969	18.8
332.12650	3.8
334.07355	1.8
334.10706	46.3
336.08643	67.8
348.12299	3.7
349.09036	1.1
349.13046	19.5
364.08670	11.6
364.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1539
Annotation	Buxifoliadine-G
Peak:m/z	Relative Intensity
51.75368	0.5
56.70843	0.4
57.54129	0.5
58.86162	0.5
125.70419	0.7
131.49701	0.5
182.65054	0.6
225.27475	0.6
288.09949	0.7
302.11798	3.6
303.12485	3.2
316.09695	6.0
318.07455	0.8
320.09161	8.7
320.12781	2.3
330.11200	17.7
331.12015	15.9
332.12729	2.6
334.10727	36.3
348.12360	2.5
349.13104	17.3
364.15399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77521	0.4
83.04974	0.3
140.00334	0.4
167.07051	1.6
168.07391	1.3
172.04004	0.3
222.05490	0.4
246.09612	0.3
292.06143	0.5
319.11874	1.4
320.05341	1.1
320.09219	1.0
320.12738	6.6
333.10049	0.5
334.10620	3.3
334.14017	0.4
336.15811	0.6
348.12277	30.5
349.05777	0.4
349.09357	1.5
349.13101	7.9
364.07983	5.6
364.12119	5.2
364.15424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55679	0.5
55.28205	0.7
58.13344	0.6
58.52847	0.6
67.94315	0.6
92.20971	0.7
121.06558	0.8
157.48352	0.7
164.55893	0.7
167.07100	1.1
198.98462	0.7
292.05954	0.6
303.12411	1.2
306.11133	5.8
319.12024	1.5
320.09143	1.4
320.12851	28.9
332.09259	1.2
332.12610	5.9
333.10269	0.8
334.07129	2.0
334.10709	27.0
335.11511	1.4
348.12283	56.4
348.60358	0.8
349.13040	22.4
364.08060	4.7
364.15469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88372	0.2
57.11031	0.2
73.75978	0.3
82.11799	0.2
82.95712	0.2
101.48091	0.2
108.13976	0.2
120.74998	0.2
190.05089	1.3
235.06406	0.6
263.05951	1.1
264.06412	2.0
265.07401	0.5
276.06400	0.3
290.08234	1.1
292.06171	2.5
292.09476	0.5
293.07007	1.3
303.05429	2.1
303.08780	0.4
304.06192	0.4
306.07843	0.4
318.07687	2.9
319.12161	1.3
320.05624	4.8
320.09299	1.6
320.12778	7.4
321.06470	1.5
331.04865	1.1
331.08566	0.5
334.07178	0.6
334.10892	2.1
336.16324	1.1
346.07318	1.7
348.05322	2.5
348.12296	30.1
349.05850	2.8
349.09439	1.1
349.13049	7.3
364.08310	32.6
364.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15817	0.3
69.04549	0.4
69.27473	0.3
81.57222	0.3
95.97475	0.4
118.57207	0.4
127.53090	0.4
208.09491	0.4
221.78590	0.4
274.76761	0.4
288.10242	1.7
302.11697	3.4
303.12534	4.0
316.09650	5.5
320.09155	9.8
320.12784	5.1
330.11218	19.2
331.08212	0.8
331.12018	17.6
332.12820	3.4
334.10715	38.4
343.21472	0.4
348.12265	5.0
349.13058	22.4
364.15405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87048	0.5
62.41774	0.4
63.17284	0.4
81.07079	0.5
119.46276	0.5
120.23792	0.5
128.02228	0.5
139.91948	0.5
214.39616	0.5
257.56256	0.6
268.77084	0.5
288.10257	1.1
302.11777	3.7
303.12512	4.9
312.38196	0.6
316.09711	7.2
318.07858	0.6
320.09180	12.5
320.12839	3.2
330.11249	19.3
330.15118	0.9
331.12006	18.8
332.12756	4.1
334.10742	38.8
348.12335	2.4
349.13083	21.4
364.08060	3.3
364.15430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13370	0.3
113.16032	0.3
121.06472	0.4
151.76703	0.3
167.07085	2.3
168.07402	0.8
208.29193	0.3
263.11673	0.4
264.06177	0.4
288.10184	1.4
292.05997	1.6
298.09662	0.4
302.11710	2.8
303.12466	3.3
306.11252	0.4
316.09677	6.4
318.07672	0.5
319.11847	0.5
320.05429	2.7
320.09177	12.6
320.12857	4.4
321.06259	0.8
330.11255	17.3
331.12015	16.5
332.12811	3.4
334.07162	3.0
334.10727	37.1
336.08707	2.1
346.07010	0.5
348.12302	5.3
349.09583	0.9
349.13071	17.8
364.08652	11.7
364.15436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63368	0.5
55.53591	0.5
58.11980	0.5
60.29110	0.5
75.32036	0.7
77.63297	0.5
86.43728	0.6
125.44392	0.6
160.17542	0.7
167.07001	3.9
168.07358	3.4
243.24304	0.6
250.10936	0.7
303.12494	2.3
304.09589	0.8
306.11276	6.1
318.07681	3.2
319.08286	0.6
319.11816	2.4
320.05554	3.1
320.12787	29.3
331.12112	2.5
332.12820	6.4
333.09866	0.8
334.07300	1.6
334.10730	27.4
346.10080	0.7
348.12277	60.9
349.06110	1.1
349.13104	27.2
349.17380	1.0
364.08432	15.0
364.15411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76328	0.3
63.37614	0.4
102.43787	0.4
111.23418	0.4
125.04359	0.4
175.87057	0.4
264.63049	0.5
292.06262	0.5
293.06955	0.5
303.05176	0.8
318.07794	0.8
319.11911	0.9
320.05478	2.9
320.09232	1.2
320.12735	6.4
334.10672	2.0
348.09036	1.1
348.12286	29.0
349.05908	0.7
349.09372	1.5
349.13150	9.3
364.08578	13.8
364.15427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31787	0.3
68.15609	0.3
69.31698	0.3
74.66600	0.3
141.38644	0.3
288.10135	1.9
302.11755	3.9
303.12555	4.9
316.09702	6.3
319.08191	0.7
319.11853	0.4
320.05518	0.8
320.09164	10.7
320.12863	4.7
330.11221	19.0
331.12012	17.5
332.12747	3.4
334.10742	37.7
348.12323	5.5
349.13086	19.7
364.15424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.78371	0.3
55.05499	0.4
57.03469	0.4
61.02915	0.6
62.06092	7.5
63.87973	0.3
68.88580	0.3
69.03429	2.5
70.06583	0.6
71.04992	0.6
73.02917	0.4
76.63414	0.3
81.03407	2.6
81.07047	0.4
83.04964	0.7
85.02902	11.6
86.06071	4.5
86.09657	0.3
87.04483	2.4
88.55660	0.3
91.03934	0.4
91.05439	0.4
93.07034	0.6
95.05009	0.4
97.02869	4.5
98.06027	2.9
98.90627	0.3
99.04454	9.3
104.07107	24.7
104.07816	0.8
107.04950	3.4
109.02869	1.9
110.79811	0.4
111.04482	0.5
116.07095	0.5
121.06492	3.8
122.26473	0.3
124.07618	0.5
126.05476	0.4
127.03890	2.8
128.07082	0.5
135.04402	6.2
144.06630	0.5
145.04965	1.9
149.05910	0.5
151.07547	0.4
152.04663	1.7
167.07024	100.0
176.07060	1.5
180.08643	2.5
182.08063	0.4
184.13370	0.4
185.08080	42.0
194.08118	3.0
199.81606	0.3
204.70259	0.4
209.08138	0.4
211.26118	0.4
212.09207	0.6
230.10281	1.4
238.68465	0.3
248.11310	0.7
266.12473	0.6
282.43860	0.4
293.10532	0.4
328.13840	2.5
346.15140	3.5
346.18488	0.5
362.53564	0.4
364.16339	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.9
69.03423	4.4
81.03419	9.6
84.04504	6.2
84.49568	2.2
85.02917	14.1
86.06071	30.0
87.04478	33.6
87.73329	2.3
97.02882	19.6
98.06067	60.7
99.04453	32.3
104.07108	4.1
109.02895	12.0
112.07589	4.0
116.07098	4.9
124.07596	4.1
125.04729	5.6
126.05515	11.2
127.03944	2.8
128.07100	11.5
138.09145	4.1
140.07109	4.1
146.08121	6.1
147.40579	2.4
148.07539	3.1
164.07048	3.7
166.08652	12.7
176.07050	31.7
182.08136	12.5
182.48007	2.6
194.08168	62.8
212.09215	26.5
230.10275	20.7
248.11263	12.3
267.49680	2.6
279.55759	2.6
328.13852	41.7
346.14963	60.5
364.11386	4.3
364.15988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11915	0.4
63.14192	0.3
83.00458	0.4
87.12661	0.4
91.99184	0.4
92.17850	0.4
97.52802	0.3
128.61423	0.4
142.08620	0.4
152.59108	0.4
153.05437	2.5
160.06146	0.9
170.05750	0.6
172.06146	1.9
185.08101	2.6
189.06502	0.5
190.04935	0.6
191.09593	0.4
196.68941	0.4
214.10844	0.7
232.11928	100.0
319.09320	0.4
364.16153	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96464	1.5
51.67155	1.6
53.03964	2.1
55.05515	3.4
58.06602	2.1
58.30217	1.6
63.08773	1.7
71.04967	1.6
81.03426	4.2
82.03748	3.2
83.04976	11.8
85.02909	19.5
85.06542	100.0
86.03248	3.3
86.06872	48.7
97.02888	3.1
98.06042	2.6
99.04456	63.7
100.04789	24.5
101.06024	3.5
109.02867	4.1
114.93833	2.0
117.15133	1.8
127.03902	2.5
137.05977	8.4
142.06357	2.2
155.19484	1.9
167.07047	2.7
261.06998	2.3
346.15002	2.5
364.13773	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1753
Annotation	Longaninine
Peak:m/z	Relative Intensity
69.56940	1.9
70.06586	3.4
72.08158	18.2
76.13440	1.9
76.23295	2.1
79.05317	2.1
84.19549	1.9
85.02905	3.2
93.39759	1.9
95.73641	2.2
97.02839	2.2
97.84232	2.0
99.04456	3.0
103.82312	1.9
134.06029	4.1
136.07605	18.1
137.04994	4.3
137.05975	77.4
148.07564	2.8
149.08362	43.9
150.09160	3.9
153.05383	3.4
162.09146	5.5
165.07866	12.2
166.08664	19.6
167.09425	2.2
176.10670	15.3
178.08603	3.0
180.10182	98.4
192.10243	4.9
194.11783	3.0
204.06552	2.5
210.11296	26.7
261.03214	9.2
271.12070	24.8
284.12793	26.6
315.14719	20.3
316.15390	4.6
335.09875	2.3
346.16330	18.3
349.11157	3.0
364.10129	3.6
364.13718	10.0
364.17554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29110	0.9
60.58241	0.9
67.05500	6.9
74.93770	0.9
79.05481	2.3
81.07066	4.7
83.04984	8.6
85.02937	0.9
89.84613	0.9
91.05483	2.1
93.07041	7.6
95.08604	2.4
97.06502	1.8
99.04426	1.3
107.04944	1.1
107.08600	4.4
109.10150	4.5
111.04439	35.2
111.08076	9.5
113.28863	1.0
121.06496	100.0
121.10147	6.1
125.06018	1.1
131.08582	1.7
135.11700	11.7
138.09140	23.4
145.10117	7.0
147.11632	2.3
149.09615	2.2
153.12730	15.9
163.11166	26.9
173.09605	6.8
181.12224	25.9
190.04918	1.7
191.10648	15.0
209.11671	7.9
215.31566	1.0
227.12753	15.6
263.05789	2.2
264.06528	1.8
290.08017	2.3
292.06033	5.9
292.09674	14.0
293.06754	4.5
303.05209	2.1
304.09793	2.1
306.07559	6.8
318.07629	5.0
320.05466	12.8
320.09167	15.2
321.06244	3.8
321.09903	8.0
331.04929	2.0
334.07169	3.9
346.07037	1.9
346.20114	52.2
348.05042	2.3
349.05698	9.1
349.09610	3.6
364.08038	67.0
364.11871	31.8
364.21121	33.0
364.25473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2115
Annotation	Consiculine
Peak:m/z	Relative Intensity
55.01877	1.5
67.05499	6.2
69.07067	0.8
71.05006	1.0
79.05477	1.7
81.07056	4.1
83.04995	7.0
85.02901	1.1
93.07042	4.8
97.06561	3.3
107.08603	4.1
109.10165	5.9
111.04437	32.5
111.08089	7.9
117.07069	1.0
119.08538	1.6
121.06506	100.0
121.10137	2.2
126.75520	1.0
131.08566	2.1
135.11703	12.2
138.09134	24.6
145.10135	8.2
147.11658	1.3
149.09612	4.2
153.12733	14.6
155.08604	1.1
163.11163	24.5
173.09637	5.6
181.12253	30.4
191.10669	14.5
208.13321	1.1
209.11658	4.6
227.12801	15.8
232.34373	0.9
292.09665	3.9
320.09167	6.2
321.10098	2.4
346.20126	51.7
349.09357	4.2
364.08002	4.3
364.11768	21.8
364.21176	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2116
Annotation	Consiculine
Peak:m/z	Relative Intensity
51.52575	0.8
52.49926	0.9
55.01890	1.4
55.05513	11.3
58.06614	1.2
58.68890	1.0
67.05505	4.5
69.03436	1.5
69.07088	2.1
72.08152	11.1
79.05500	2.7
81.07063	5.4
83.04987	4.8
83.08617	12.7
85.06528	1.4
93.07040	4.5
95.92867	1.1
97.10164	23.0
99.04444	2.8
107.08596	6.0
109.10190	1.7
121.06472	14.7
125.09617	14.9
137.05998	9.7
138.06305	1.9
146.05977	1.5
149.06024	1.5
161.05977	13.5
162.05554	1.6
163.06267	38.6
163.20782	1.1
171.14946	2.2
173.05971	12.8
175.07578	5.3
176.07091	6.7
177.09187	1.6
183.08028	1.3
187.07521	1.7
189.11263	1.6
199.07579	4.9
199.14444	1.9
201.09135	1.7
270.83203	1.2
328.18964	1.9
329.17453	2.6
346.20078	20.7
349.23044	1.2
364.07385	1.8
364.11746	47.9
364.21210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52575	0.8
52.49926	0.9
55.01890	1.4
55.05513	11.3
58.06614	1.2
58.68890	1.0
67.05505	4.5
69.03436	1.5
69.07088	2.1
72.08152	11.1
79.05500	2.7
81.07063	5.4
83.04987	4.8
83.08617	12.7
85.06528	1.4
93.07040	4.5
95.92867	1.1
97.10164	23.0
99.04444	2.8
107.08596	6.0
109.10190	1.7
121.06472	14.7
125.09617	14.9
137.05998	9.7
138.06305	1.9
146.05977	1.5
149.06024	1.5
161.05977	13.5
162.05554	1.6
163.06267	38.6
163.20782	1.1
171.14946	2.2
173.05971	12.8
175.07578	5.3
176.07091	6.7
177.09187	1.6
183.08028	1.3
187.07521	1.7
189.11263	1.6
199.07579	4.9
199.14444	1.9
201.09135	1.7
270.83203	1.2
328.18964	1.9
329.17453	2.6
346.20078	20.7
349.23044	1.2
364.07385	1.8
364.11746	47.9
364.21210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21424	3.2
53.68519	3.9
57.07071	4.4
57.38674	3.7
79.26838	3.8
83.49783	4.1
89.06030	7.8
93.64331	4.7
116.09537	4.8
116.10276	4.3
209.80528	4.0
216.71236	4.1
364.07877	9.0
364.26007	100.0
364.30273	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2819
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
52.97218	0.6
57.07106	0.7
58.29824	0.6
82.47428	0.7
93.81606	0.8
95.08586	0.8
100.50877	0.7
157.39273	0.7
158.35544	0.7
164.45677	0.7
195.05721	0.7
195.57672	0.7
196.25055	0.7
222.14606	1.2
236.16286	3.8
292.05826	1.1
320.05472	1.3
320.08936	0.9
346.07059	0.9
349.05545	0.9
364.08151	14.6
364.12305	1.1
364.28235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.282
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
53.08170	0.7
69.04575	1.9
69.07073	0.9
97.10103	0.9
103.30444	0.9
107.08620	1.3
110.23349	1.1
269.76813	1.3
320.05621	1.2
364.08075	5.5
364.24631	6.8
364.28271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80561	0.5
59.73170	0.4
64.27302	0.4
88.07619	0.6
92.45472	0.4
102.89223	0.5
109.06606	0.4
125.92881	0.5
127.35934	0.5
133.40964	0.4
190.05011	2.4
194.99208	0.5
226.02420	0.4
235.06308	2.1
242.24715	2.3
262.08737	0.6
263.05728	2.8
264.06497	3.3
265.07419	1.0
275.05908	0.5
276.06567	1.1
277.07254	1.1
290.08121	2.6
291.05304	0.9
292.05994	7.3
293.06836	3.4
303.05228	4.6
305.06979	0.8
306.07678	0.7
308.05499	2.0
318.07672	5.9
320.05569	14.9
320.09119	2.0
321.06284	4.0
331.04831	3.6
334.07248	1.6
335.07739	0.5
336.08780	0.8
346.06931	4.0
348.05020	5.9
349.05750	10.4
349.09521	1.8
364.08130	100.0
364.11545	3.8
364.24448	1.5
364.28049	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87486	1.3
55.05501	1.2
67.05500	5.3
69.07071	1.8
69.27868	1.1
75.64030	1.2
79.05497	1.4
81.01914	2.1
81.07061	5.5
86.06071	12.9
87.04451	1.6
93.07034	2.6
95.08607	4.8
104.07091	5.8
107.08645	2.3
122.10488	1.2
152.16235	1.3
164.15187	1.4
173.40482	1.1
197.09834	1.2
234.14641	100.0
346.27542	5.7
364.08038	7.4
364.28531	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08801	0.7
60.33564	0.7
66.49345	0.8
67.05505	4.2
73.30383	0.9
74.95058	0.7
79.05493	3.8
81.07053	7.2
85.06593	0.9
85.79443	0.7
86.90405	0.8
93.07034	8.4
95.08603	6.6
104.07104	100.0
105.07037	1.1
107.08580	5.1
109.10191	3.2
119.08568	1.6
121.10128	4.9
135.11673	1.3
149.13208	1.5
151.36940	1.0
161.13197	1.4
163.14806	0.8
173.13184	1.1
187.53407	0.9
207.13680	1.4
233.31366	0.8
242.17444	0.8
261.22113	5.6
296.98294	0.8
304.26224	3.4
321.29062	1.2
332.25903	2.0
343.73291	0.8
364.28922	18.3
364.33218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71041	0.7
67.05516	7.0
67.05797	0.7
69.03423	2.1
69.07075	1.8
79.05515	6.1
81.07069	10.5
86.06070	100.0
87.04470	17.6
91.05488	1.8
92.20905	1.1
93.07037	9.4
95.08603	6.7
97.10134	0.9
104.07112	30.2
105.07044	1.8
107.08592	8.7
107.62222	0.8
109.10159	2.0
121.10126	6.6
123.11776	1.0
131.08539	1.9
133.10167	1.6
135.11699	5.0
144.72388	0.8
145.10130	4.0
147.11699	1.1
149.13269	4.1
159.11589	0.9
163.14792	1.5
173.13309	1.4
175.14929	0.9
190.04814	1.2
228.15900	0.9
243.21056	4.6
261.22153	10.4
264.06537	1.8
265.07281	1.2
274.60263	0.9
290.08154	0.9
292.06003	7.4
293.06879	1.3
303.05289	3.7
304.52454	0.9
308.05420	1.2
318.07486	3.5
320.05457	12.1
321.06479	1.7
331.04794	1.1
332.05637	1.2
336.08847	1.4
346.07114	2.1
346.27982	1.0
348.05209	3.1
349.05838	6.4
364.08148	65.9
364.28510	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
55.80507	0.6
56.20609	0.5
57.07075	1.2
62.26184	0.4
63.68784	0.5
65.46590	0.5
66.90868	0.6
67.05511	6.0
68.05007	0.5
69.03417	2.2
69.07079	1.4
79.05504	6.0
81.07066	8.9
83.08640	0.7
85.06516	0.7
86.06072	100.0
87.04475	21.1
93.07055	9.9
95.08603	7.3
99.01663	0.8
99.08127	0.8
104.07111	35.8
105.07054	1.4
107.08605	6.0
109.10165	3.6
119.08569	1.5
121.10159	5.9
131.02788	0.7
131.08557	2.7
133.10149	1.3
135.11700	5.2
145.10156	1.4
147.11748	1.0
149.13261	3.3
159.11717	1.0
163.14836	2.9
173.13257	0.7
177.16447	1.1
187.14864	1.0
190.54306	0.6
233.22659	1.0
243.21089	4.0
258.28683	0.6
261.22095	10.3
262.18839	1.4
266.73517	0.6
338.19421	0.7
346.27731	1.3
364.08093	6.1
364.11679	1.0
364.28476	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17615	1.8
53.06754	1.8
53.59664	1.7
65.81377	2.2
67.07845	2.0
80.04976	2.9
81.04462	2.1
104.67318	2.3
108.03775	4.0
108.04481	100.0
115.12970	2.2
122.68082	2.5
126.05517	66.2
127.59243	2.0
149.07014	2.8
200.73814	2.6
232.87672	2.5
301.78583	2.6
364.08057	3.3
364.28409	25.0
364.33173	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44133	0.6
53.08649	0.6
55.05539	1.0
63.84600	0.7
67.05508	3.9
69.03429	3.4
69.07082	1.5
74.54353	0.9
79.05482	3.6
81.01928	4.1
81.07047	5.7
86.06073	100.0
87.04471	15.7
91.05478	1.1
93.07037	6.5
94.02699	3.9
95.08589	1.7
103.03344	0.8
104.07112	22.2
105.07047	1.2
107.08611	4.7
109.10181	1.3
120.43042	0.7
121.10110	3.1
131.08528	1.2
135.08063	0.8
135.11755	1.3
136.07335	0.8
150.08966	0.8
159.11771	0.7
161.13168	1.4
178.64127	0.9
193.14359	1.2
210.04214	0.8
219.42139	0.8
222.14763	1.6
222.79491	0.8
226.57349	0.8
227.29961	0.8
243.21118	1.2
261.22147	5.3
303.83963	0.8
328.25931	0.9
335.96149	0.8
346.27490	1.4
364.07892	1.0
364.24017	0.9
364.28406	19.2
375.30115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.4
60.08172	1.2
64.38438	0.7
67.05180	1.3
67.05511	28.6
69.07069	12.2
79.05498	15.7
80.35959	0.8
80.55560	0.7
81.07064	32.0
82.30183	0.8
83.08614	6.1
85.06525	0.9
86.09708	1.0
86.64520	0.8
86.78456	0.8
91.05474	5.8
93.07047	24.0
95.08601	20.4
97.10181	1.1
105.07044	4.8
107.08600	14.9
109.06504	1.2
109.10159	9.9
117.06998	0.8
119.08598	4.6
121.10144	9.7
123.11684	1.7
127.56497	0.8
130.46812	0.7
133.10136	1.5
135.11687	4.5
145.10139	0.9
149.13243	1.1
179.76326	0.7
305.24786	25.8
309.09631	0.7
324.19827	0.8
364.32089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Terminaline
Peak:m/z	Relative Intensity
50.00152	1.7
55.05511	1.9
57.07086	20.7
58.82358	2.1
60.57171	2.0
67.05518	2.8
69.07058	8.6
71.08623	12.6
73.60600	2.0
74.09723	76.2
76.87948	1.8
77.62406	2.1
81.07050	3.1
83.08601	2.3
93.07080	2.9
95.08587	8.2
99.08082	4.6
107.08611	3.1
109.10144	2.5
165.12801	2.7
165.35867	2.0
184.13210	2.1
184.17049	2.8
212.16991	2.2
221.77617	2.1
235.17120	2.1
266.24683	8.6
291.23163	8.7
336.08466	3.2
364.08240	19.8
364.32120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Terminaline
Peak:m/z	Relative Intensity
53.03954	0.9
55.05514	12.6
57.07086	1.4
60.08152	0.8
66.32947	0.7
67.05508	29.9
69.07070	13.0
71.40454	0.8
79.05499	18.9
81.07057	31.6
83.08622	5.8
91.05482	5.0
92.21593	1.5
93.06481	1.1
93.07040	24.6
95.04967	1.1
95.08604	23.8
97.06575	0.7
97.10132	1.4
99.08089	0.7
105.07045	5.6
107.08584	16.4
109.06512	1.4
109.10170	8.6
118.45509	0.7
119.08575	4.1
121.10111	11.5
123.11703	1.5
131.08533	0.7
133.10158	2.9
135.11702	4.7
145.10115	0.7
147.11700	1.3
149.13275	2.8
305.24713	23.3
364.32074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06953	4.3
58.06607	10.9
59.49595	4.6
64.07474	5.3
66.66037	4.8
68.00459	6.1
70.06618	5.6
71.27663	5.9
71.77184	5.8
82.22025	5.7
84.08136	8.8
86.09708	6.1
87.52234	5.9
99.04475	23.1
103.44701	5.3
117.39944	5.5
121.06470	9.3
121.28699	6.0
130.71165	5.7
210.17212	6.8
239.02190	6.7
254.32854	6.5
305.10260	12.7
311.40466	6.5
335.10211	69.5
336.09134	7.0
337.08679	9.4
347.10294	39.1
350.12521	34.9
365.06537	100.0
365.11548	38.6
365.15475	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18085	3.1
70.06588	8.8
74.06136	4.3
76.72815	3.5
84.08152	6.9
86.06049	5.2
87.04484	5.8
87.86781	3.8
98.06050	29.4
99.04478	4.3
99.06371	7.3
100.38923	3.4
107.52084	3.5
116.07096	16.7
117.33069	3.7
128.07056	4.9
139.19081	3.7
140.14351	4.6
161.06602	8.2
186.14926	13.7
198.11243	3.8
203.05254	30.0
203.07639	16.5
215.07649	17.8
216.12308	15.6
221.05101	28.5
236.14890	24.1
239.07780	4.7
269.44067	4.2
282.75964	4.3
287.09796	19.0
305.10959	66.0
323.11734	8.1
329.14075	7.3
329.20352	3.9
365.07806	96.0
365.16180	100.0
365.20538	5.8
365.23169	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71869	1.4
54.40974	1.8
56.10465	1.4
64.57268	1.7
77.82207	1.5
81.22194	1.5
84.91190	1.6
113.41509	2.0
144.87633	1.7
185.04257	14.3
186.40622	1.8
197.69485	1.7
203.05251	60.3
203.07141	3.1
226.79590	1.9
248.97255	1.5
268.11023	1.9
347.09229	2.3
365.10986	100.0
365.20306	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
74.29687	0.8
85.10387	0.7
91.09145	0.7
93.21464	0.7
105.18545	0.8
121.06512	0.8
159.09137	0.8
185.04205	13.7
191.05487	1.0
203.05261	50.8
203.07158	1.8
243.95068	0.8
278.88702	0.8
316.31790	0.9
338.45291	0.8
365.10550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25407	1.7
61.66336	1.8
70.06599	8.3
72.08143	3.7
78.07209	2.0
83.05029	2.3
84.08139	22.1
85.02902	3.1
86.06049	2.2
87.04462	4.8
95.35534	2.0
98.06093	18.6
98.09685	2.3
99.06380	5.1
102.89707	2.1
114.09149	3.0
116.07101	8.7
140.14325	40.0
154.08710	2.7
156.10307	2.4
163.56253	2.1
175.68787	2.1
178.08911	2.2
182.45934	2.1
184.13336	10.7
185.04266	3.2
185.06584	3.3
186.14883	39.2
197.06580	3.7
198.11261	19.7
203.05273	19.1
203.07677	9.7
215.07668	12.4
216.12289	51.4
221.05038	19.2
227.07602	2.4
234.13283	4.8
236.14986	3.1
239.07704	2.7
287.09781	8.8
305.10834	36.9
329.14020	4.2
347.15051	3.6
347.21613	2.3
365.08658	100.0
365.16345	64.6
365.22754	49.7
386.65424	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60133	0.5
59.19943	0.6
75.02843	0.6
170.30847	0.7
185.04185	14.1
203.05252	51.2
235.00632	0.7
352.54007	0.7
365.10544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39243	0.7
53.23203	0.6
53.43028	0.7
62.91191	0.7
63.18477	0.7
63.60315	0.7
69.67897	0.6
77.96520	0.8
79.89775	0.8
82.04253	0.7
98.83022	0.9
108.41214	0.7
140.31995	0.9
185.04196	13.9
203.05261	49.5
203.07146	1.7
255.04333	0.9
365.10562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41646	0.5
62.74300	0.7
92.20925	0.8
111.97238	0.7
116.17825	0.8
128.19308	0.7
128.20547	0.7
145.03537	0.8
158.05537	0.7
179.57732	0.8
185.04198	13.5
203.05257	53.4
275.05994	0.9
365.10553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.9
61.02949	1.7
69.03445	4.0
69.07067	2.7
70.06584	3.0
73.02982	1.6
76.55897	1.9
81.03418	12.7
84.04537	3.0
84.08149	3.1
85.02902	11.4
86.09708	55.1
87.03256	3.0
87.04492	3.0
96.04498	12.0
97.02876	9.6
98.06041	9.8
99.04449	4.0
102.26170	2.0
108.04498	3.2
122.06036	4.4
124.07585	2.8
126.05526	3.2
128.07047	2.2
128.10742	8.5
135.08034	7.9
137.05977	3.8
138.05518	2.5
139.44650	2.3
144.06569	4.7
158.76048	1.9
164.10718	68.1
168.06569	25.4
168.10182	8.7
170.08092	2.4
178.08665	4.6
185.04285	7.2
191.07022	8.4
194.11763	10.8
195.08414	2.6
196.13297	16.1
203.05304	27.8
203.10722	7.5
203.13907	15.4
212.12816	22.9
215.13910	2.9
216.08592	3.8
216.10313	2.8
216.86406	2.2
218.08115	42.2
218.11610	3.4
230.10283	2.4
230.13893	46.3
235.14420	3.7
281.14941	100.0
285.16092	2.2
303.16983	35.8
311.16046	11.9
329.17178	64.1
347.18585	24.4
365.09982	33.0
365.16302	2.8
365.19159	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.9
61.02949	1.7
69.03445	4.0
69.07067	2.7
70.06584	3.0
73.02982	1.6
76.55897	1.9
81.03418	12.7
84.04537	3.0
84.08149	3.1
85.02902	11.4
86.09708	55.1
87.03256	3.0
87.04492	3.0
96.04498	12.0
97.02876	9.6
98.06041	9.8
99.04449	4.0
102.26170	2.0
108.04498	3.2
122.06036	4.4
124.07585	2.8
126.05526	3.2
128.07047	2.2
128.10742	8.5
135.08034	7.9
137.05977	3.8
138.05518	2.5
139.44650	2.3
144.06569	4.7
158.76048	1.9
164.10718	68.1
168.06569	25.4
168.10182	8.7
170.08092	2.4
178.08665	4.6
185.04285	7.2
191.07022	8.4
194.11763	10.8
195.08414	2.6
196.13297	16.1
203.05304	27.8
203.10722	7.5
203.13907	15.4
212.12816	22.9
215.13910	2.9
216.08592	3.8
216.10313	2.8
216.86406	2.2
218.08115	42.2
218.11610	3.4
230.10283	2.4
230.13893	46.3
235.14420	3.7
281.14941	100.0
285.16092	2.2
303.16983	35.8
311.16046	11.9
329.17178	64.1
347.18585	24.4
365.09982	33.0
365.16302	2.8
365.19159	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.42260	2.9
55.05507	6.9
55.08759	3.3
57.03445	27.8
57.07079	5.0
57.28029	3.3
65.95026	3.7
67.05510	49.5
69.07062	21.4
70.59119	3.6
71.04973	4.1
79.05489	26.8
81.07066	41.0
83.08626	3.5
85.06549	23.2
90.65347	3.7
91.05485	27.9
92.20939	5.9
93.07047	45.1
95.04970	87.4
95.08608	24.7
97.06531	4.5
105.07031	20.8
107.04938	13.5
107.08583	27.4
109.06518	36.5
109.10165	5.5
113.06009	90.5
117.07027	6.3
118.85419	4.0
119.08579	32.4
121.06483	21.6
121.10149	19.8
123.08064	4.1
129.07051	4.8
131.08615	26.6
133.10143	17.7
135.08023	29.1
135.11708	15.3
143.08534	17.1
145.10121	18.0
147.08067	7.1
147.11688	5.2
157.10190	4.4
159.11729	5.9
161.09619	7.8
177.12767	4.7
217.15756	5.2
273.18396	32.0
291.19553	49.5
347.22195	39.2
347.25974	5.1
365.08417	29.1
365.22983	100.0
365.27942	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.05487	1.2
50.17173	1.4
55.01870	1.8
55.05521	18.0
57.03439	11.0
57.07063	1.8
67.05513	20.9
69.03435	7.8
69.07067	26.3
70.88913	1.4
79.05502	18.2
81.03397	2.6
81.07057	21.7
83.04995	2.4
83.08617	8.0
83.12874	1.4
85.06528	1.8
91.05483	11.0
93.07047	19.7
95.04964	7.0
95.08589	15.6
96.39022	1.6
97.02881	9.7
97.06538	2.6
97.10160	11.9
105.07032	13.9
107.04971	12.0
107.08573	16.0
109.06522	2.9
109.10180	12.4
111.08065	2.2
113.06000	2.2
117.07044	6.2
119.08582	17.4
119.80039	1.5
121.06501	2.6
121.10120	7.4
123.08061	7.7
123.11675	1.6
125.09662	11.1
129.06999	2.9
131.08572	3.8
133.10117	9.6
135.08064	9.0
135.11674	2.5
137.09592	6.2
138.94188	1.5
143.08589	3.1
145.10118	7.8
147.08083	2.3
147.11653	3.5
149.09624	3.0
157.10110	3.4
159.07980	1.8
159.11671	3.1
161.09596	2.5
161.13301	1.9
171.11778	1.7
175.11139	2.6
189.11118	2.6
199.04950	1.5
203.10559	2.0
205.12212	2.3
208.93704	1.5
223.13283	17.6
237.16444	2.1
244.51369	1.6
273.18481	15.4
291.19492	53.0
332.12363	2.2
347.22107	8.2
365.08209	6.2
365.15921	16.3
365.23154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.00300	1.1
54.37036	0.6
55.01876	4.4
55.05516	12.5
57.03432	6.9
57.07066	3.5
67.05179	1.3
67.05505	22.8
69.03431	9.1
69.07069	33.6
79.05496	16.0
81.03398	1.1
81.07059	13.1
83.04982	2.0
83.08633	6.0
85.06538	1.6
91.05481	7.2
93.07042	14.4
95.04989	7.4
95.08591	11.1
97.02884	15.0
97.06511	1.5
97.10168	17.1
105.07028	8.1
107.04945	5.0
107.08589	16.6
109.06504	3.0
109.10152	10.6
111.08073	1.7
111.63223	0.9
117.07003	4.3
119.08583	10.5
121.06505	3.1
121.10110	5.6
123.08056	3.6
123.47024	0.8
125.09624	13.4
129.07024	1.4
131.08543	4.7
133.06506	1.1
133.10106	5.6
135.08038	5.2
135.11647	3.2
137.09612	2.1
143.08562	4.4
145.10120	4.3
147.08060	6.3
147.11703	1.6
149.09593	1.0
149.13223	2.1
151.11218	1.1
157.10120	1.5
159.11707	3.2
161.09579	3.3
163.11069	1.2
171.11621	1.6
175.11139	0.9
179.10524	0.9
189.11240	3.0
193.12114	0.9
205.12181	1.6
223.13283	25.3
227.12740	1.1
245.18799	1.7
263.20102	1.0
273.18478	11.0
278.46759	0.9
291.19525	63.7
335.83398	1.1
341.55383	1.0
347.22122	2.8
347.25812	6.2
365.08530	1.6
365.23181	100.0
365.26547	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.95093	1.0
53.00314	1.7
54.46984	1.0
55.01873	1.8
55.05509	6.6
56.66475	1.1
57.03434	7.2
57.07074	3.0
63.91731	1.2
67.05506	11.8
69.03447	1.4
69.07059	6.4
71.08633	57.4
79.05491	12.0
79.62871	1.5
81.03414	3.0
81.07060	13.5
83.04963	1.6
83.08626	2.1
91.05478	10.6
93.07044	8.1
95.04973	13.8
95.08613	9.9
97.06571	4.7
99.08097	34.6
105.07060	10.2
107.04943	5.9
107.08580	8.5
109.06515	2.1
109.10142	5.7
117.06981	1.2
119.04924	1.3
119.08585	10.3
121.06482	6.9
121.10130	2.4
123.08064	10.5
131.08551	8.7
133.06482	5.8
133.10126	4.9
135.08075	1.8
135.11658	2.7
143.08470	1.3
145.10132	7.0
147.08070	6.6
147.11673	6.6
149.09634	5.2
151.11191	28.0
153.12685	1.4
157.10144	2.3
161.09578	8.2
163.11139	2.6
165.12833	2.1
171.11707	2.7
175.11177	10.1
177.09120	6.3
179.10652	11.0
185.13181	1.6
191.07014	2.3
193.12222	12.8
245.18991	6.7
264.06204	1.3
273.18542	21.9
291.19556	14.2
293.06317	2.1
294.07278	1.3
304.05396	1.6
305.29105	1.4
321.05862	6.8
347.25989	2.1
350.06369	9.7
365.08463	40.9
365.23190	100.0
365.26489	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01880	1.4
55.05502	7.7
57.03442	41.7
57.07081	4.4
58.56472	0.8
62.22610	1.0
64.84080	0.9
67.05506	24.3
69.03410	1.4
69.07064	12.3
71.04969	1.6
71.08620	1.2
77.18736	1.0
79.05491	15.2
80.43783	1.0
81.06614	2.2
81.07055	37.7
83.04967	4.9
83.08620	5.2
85.06538	7.4
89.01577	1.1
91.05463	13.9
92.20872	1.2
93.07042	18.0
95.04961	5.0
95.08601	23.9
97.06520	8.8
99.08076	1.9
105.07028	15.9
107.04939	1.8
107.08597	16.3
109.06503	20.5
109.10156	6.0
109.59620	1.1
111.04475	2.1
111.08070	2.4
113.06000	1.7
117.07015	5.4
119.08590	15.1
120.49962	1.0
121.06478	2.2
121.10134	9.7
123.08086	4.9
123.11710	4.8
125.06007	1.1
127.07541	27.9
129.06985	2.0
131.08559	9.1
133.10150	10.7
135.08040	7.4
135.11679	5.8
137.06042	1.2
137.08261	1.2
137.09583	2.3
143.08575	6.1
145.10109	6.8
147.08041	4.5
147.11682	10.2
149.09648	5.2
149.13242	2.3
151.07562	1.4
153.12668	1.2
157.10126	4.9
159.11678	2.2
160.96191	1.3
161.09604	5.7
163.11142	2.3
165.12740	6.1
167.14308	6.6
169.10141	2.0
171.11685	2.3
173.13214	3.8
175.11150	4.9
183.11752	1.9
189.16383	1.7
199.14822	1.5
217.15894	5.3
235.16835	4.4
245.19034	1.6
263.19968	2.3
267.06549	1.2
273.18466	13.0
291.19470	37.1
293.06332	1.7
321.06094	1.7
329.24774	2.1
332.86536	1.2
342.16614	1.5
344.65088	2.4
347.13559	1.2
347.22058	3.2
347.25729	19.0
350.06415	1.8
365.08499	22.2
365.23160	100.0
365.27155	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Cespihypotin O
Peak:m/z	Relative Intensity
55.01877	8.8
55.05525	19.7
57.03188	3.8
57.03448	77.6
57.07071	2.5
65.03928	2.4
67.05515	43.8
69.03444	2.1
69.07077	18.1
71.91923	1.7
75.04482	3.4
79.05503	42.8
81.03422	3.4
81.07062	38.5
81.76969	1.8
83.05003	9.4
83.08630	14.6
85.06556	14.5
91.05483	77.5
93.07057	51.9
95.04952	14.1
95.08605	32.3
97.06535	5.1
97.10187	3.8
99.08128	3.0
105.07043	52.8
107.04967	17.2
107.08600	29.9
109.06522	48.0
109.10175	12.8
111.08081	4.5
117.07019	55.2
117.24802	2.0
119.04952	2.2
119.08586	49.4
121.06515	14.3
121.10136	17.0
123.08086	4.6
128.06166	4.5
129.07042	33.8
130.62881	1.9
130.82895	1.9
131.07080	23.0
131.08569	50.4
133.06496	12.2
133.10126	31.0
135.08057	42.1
135.11707	5.0
137.09648	9.0
141.07022	4.1
143.08591	25.2
145.06479	4.0
145.10126	47.6
147.08076	44.8
147.11703	12.5
149.09628	12.4
151.11195	3.0
155.08586	10.3
157.10135	38.0
159.08052	8.4
159.11691	21.7
161.09610	28.9
161.13261	3.8
163.11115	6.9
169.10146	2.5
171.11717	15.6
173.09631	3.1
173.13258	13.0
175.11142	16.1
177.12691	3.3
181.10207	2.7
183.11661	14.4
185.13222	7.8
189.16283	3.4
195.11598	3.1
197.13289	2.3
199.11121	4.2
199.14850	17.9
201.12781	18.1
217.15877	50.2
227.17860	4.2
237.16512	4.8
245.19077	7.6
255.17508	17.6
273.18478	100.0
291.19495	12.8
292.19653	2.1
293.17444	10.9
335.10928	4.0
347.18381	4.5
347.22171	95.4
347.26334	3.4
349.12747	4.5
350.13461	9.3
365.15747	25.7
365.19818	3.9
365.23288	65.6
365.27979	4.5
365.75888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23201	1.0
53.28667	1.2
55.01868	3.2
55.05331	1.1
55.05522	16.5
55.27119	1.3
57.03428	8.0
57.03679	1.1
57.07070	1.8
67.05511	25.4
69.03423	9.1
69.04539	1.9
69.06748	1.8
69.07069	31.5
71.93583	1.3
79.05492	22.1
81.03407	5.7
81.07058	24.7
83.04951	1.8
83.08611	8.3
91.05463	10.2
93.07029	17.3
95.04971	7.3
95.08626	10.3
97.02904	15.2
97.06526	3.1
97.10165	21.1
105.07020	12.6
107.04955	7.2
107.08605	17.4
109.06525	3.2
109.10157	13.5
111.08029	1.7
117.07007	5.5
119.08584	10.6
121.06502	2.5
121.10123	7.7
122.44873	1.3
123.08067	4.8
124.42117	1.3
125.09651	9.5
129.06999	1.5
131.08537	7.1
133.10135	2.5
135.08047	5.8
135.11682	1.7
137.09662	2.3
145.10124	6.7
147.08014	5.9
147.11655	5.6
147.96010	1.5
149.09610	3.0
157.10216	1.4
159.11659	2.6
159.29868	1.3
161.09604	5.1
171.11642	2.1
175.11218	1.4
176.40718	1.5
177.12680	1.8
189.11226	4.9
195.13629	1.4
205.12137	1.9
223.13260	32.7
273.18454	7.0
280.58640	1.5
291.19504	69.5
324.32489	1.4
347.22177	3.1
347.25916	6.7
350.06158	1.6
365.08582	9.2
365.19730	3.8
365.23145	100.0
365.27237	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05506	7.8
57.03234	1.6
57.03448	28.9
67.05513	17.5
69.03421	2.3
69.07049	3.2
77.37402	1.6
79.05482	15.7
81.07060	25.6
83.05017	3.2
83.08607	9.7
85.06538	8.5
91.05479	31.5
93.07041	17.5
95.04953	8.8
95.08596	14.3
97.10181	4.0
105.07049	20.5
107.04925	3.9
107.08596	13.0
109.06523	18.7
112.00401	2.1
117.07017	20.7
119.08578	20.9
121.06513	7.5
121.10114	7.2
125.05943	2.4
129.07022	12.8
131.07050	4.2
131.08568	21.3
133.10104	10.6
135.08034	13.5
135.11731	2.3
141.06927	2.1
143.08572	12.4
145.10133	21.6
147.08035	18.2
149.09648	2.0
155.08566	2.7
157.10129	19.4
159.11693	8.5
161.09612	15.0
171.11700	7.9
173.09627	2.2
173.13252	3.1
175.11169	4.2
181.10069	2.3
183.11649	7.0
195.11708	2.9
199.14796	9.5
201.12708	12.1
217.15904	15.8
228.72319	1.9
237.16431	2.6
255.17482	8.9
264.06216	3.2
265.06952	2.1
273.18497	45.4
291.19412	3.0
293.06516	9.8
294.07074	3.2
304.05566	4.1
319.07828	2.8
321.05811	18.1
322.06808	4.4
332.04739	2.0
347.07767	2.7
347.22119	41.0
349.05319	3.1
350.06094	8.9
365.08453	100.0
365.12106	4.2
365.19064	3.8
365.23346	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.13016	1.7
55.05516	3.6
57.07084	2.9
58.52028	1.9
66.00668	1.9
67.05502	11.0
68.04210	2.0
69.07062	4.6
79.05494	11.8
81.07069	19.8
84.25891	2.0
91.05488	11.2
93.07053	26.2
95.04958	19.0
95.08606	12.6
97.06556	3.7
97.10186	2.0
105.07038	18.6
107.08588	13.8
109.06506	7.7
109.10175	8.2
117.07012	4.8
119.08582	25.8
119.91629	2.1
121.06512	3.3
121.10169	24.3
123.08107	3.1
129.07014	7.7
131.08598	15.8
133.10123	15.2
135.08055	3.7
135.11702	5.0
137.06004	2.6
142.07729	3.3
143.08572	17.9
144.09390	3.5
145.10139	21.7
147.08054	3.4
147.11713	8.5
149.09595	4.2
150.92775	2.2
156.09308	2.7
157.10104	13.8
158.10901	2.6
159.08052	2.3
159.11710	12.0
161.09639	8.5
161.13237	8.3
169.10129	9.4
170.10831	3.1
171.11723	14.4
173.09590	2.7
173.13293	21.6
175.11160	3.5
180.06543	1.9
181.10060	4.5
183.11768	15.8
185.13245	8.6
191.14349	11.2
193.10123	3.9
195.11678	12.4
196.12515	3.4
197.13181	10.3
201.12810	8.7
203.14302	2.4
205.10136	2.2
207.11723	10.7
209.13304	4.1
211.14871	4.6
215.14395	2.3
221.13214	3.2
223.14755	2.6
225.12679	3.7
229.15794	2.7
233.13266	3.8
235.14853	3.3
237.16470	4.6
241.15901	2.2
247.14760	2.8
249.16403	3.8
251.18227	2.1
255.17445	2.2
263.17847	6.7
269.18945	3.3
269.72351	2.2
273.18555	3.9
329.22516	3.2
337.25806	3.4
347.23401	19.9
361.08017	2.1
365.08380	2.9
365.24603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63557	4.7
53.22435	4.8
55.05516	20.9
57.07079	11.5
60.34047	5.0
67.05508	36.1
69.03431	10.5
69.07085	38.4
71.04990	8.9
79.05491	33.1
81.07058	63.8
83.04996	9.7
83.08637	8.6
84.90183	5.6
85.06522	5.7
91.05491	40.1
93.07045	75.1
95.04975	33.5
95.08607	41.6
97.06535	21.8
99.72237	6.2
105.07029	81.9
107.08601	85.1
109.06531	33.6
109.10176	68.6
111.08079	22.6
117.07041	11.1
119.08598	97.3
121.06508	21.8
121.10152	70.3
123.08064	9.9
125.09534	5.8
129.06987	21.3
131.08565	64.1
132.42978	5.7
133.10132	69.6
135.08095	28.8
135.11681	19.1
137.09615	56.5
142.07866	9.2
143.08574	31.8
144.09358	11.3
145.10118	60.8
147.08032	22.2
147.11685	29.4
149.09639	23.5
151.11163	6.4
155.08557	8.8
156.09393	10.8
157.10123	55.1
159.08041	8.2
159.11670	37.7
161.09637	40.2
163.11128	6.3
165.09157	6.3
167.08545	6.1
169.10156	13.5
171.11609	38.3
173.13251	24.4
175.03815	5.6
175.11221	10.5
179.08530	10.1
182.10852	6.9
183.11673	8.2
185.13235	9.3
189.12688	5.9
191.01280	5.7
194.10899	21.4
195.11723	8.6
197.13274	12.2
199.14850	12.6
206.09004	6.6
207.11775	8.8
208.12456	7.0
209.13272	13.6
211.11009	8.1
211.14784	7.3
227.14262	43.3
243.13756	12.2
263.20126	13.6
281.18936	10.0
347.26053	65.2
365.27316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46030	3.7
55.05512	8.9
56.56866	4.3
57.03440	4.8
57.07076	6.0
67.05519	17.8
69.07069	24.0
79.05499	19.9
81.07072	31.8
83.24019	4.8
91.05494	20.6
93.07047	39.4
95.04914	4.7
95.08599	61.5
97.06528	8.3
98.09003	5.4
105.07027	32.8
107.08628	36.2
109.10152	37.9
111.08092	8.1
117.07044	5.6
119.08595	45.9
121.10181	44.1
123.08082	5.0
123.11714	8.9
125.20586	4.9
129.06984	5.4
130.47954	5.0
131.08557	11.0
133.10114	23.4
135.08096	7.3
135.11702	24.8
143.08559	5.4
144.09476	4.6
145.10106	39.6
147.11703	10.9
149.09654	8.7
155.08525	7.6
157.10123	26.6
159.11714	29.9
161.13237	7.5
171.11705	24.1
173.13174	6.8
175.14775	7.2
177.12639	7.5
183.11807	8.2
185.13301	10.0
187.14830	22.0
195.11804	7.4
197.13255	17.5
206.64694	5.6
209.13177	6.8
211.14793	9.4
243.13916	7.5
251.17885	8.9
266.20273	7.9
309.18445	5.4
329.24564	11.6
347.25870	67.0
365.24814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67831	0.2
55.05500	0.2
57.07082	9.6
57.92947	0.2
63.69714	0.2
69.07040	0.3
69.34286	0.2
81.07035	0.3
85.06537	6.0
95.08604	0.5
109.06507	5.3
118.45406	0.2
121.10114	0.3
123.08054	0.3
137.05931	0.2
140.02504	0.2
144.84271	0.3
145.10110	0.2
147.11754	0.3
148.75426	0.2
151.07547	0.9
157.53453	0.2
159.11731	0.3
187.22136	0.2
192.67871	0.2
193.12254	0.9
195.78221	0.2
263.20041	100.0
347.25940	1.1
365.26801	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
57.06856	6.9
57.07088	100.0
67.05505	12.7
69.07079	13.3
77.86034	5.6
79.05518	19.2
81.07060	15.5
81.36868	5.1
83.11720	5.8
85.06548	56.6
89.87459	5.6
91.05511	12.4
93.07043	38.4
95.04947	9.1
95.08588	26.7
105.07045	25.8
107.08607	43.0
109.06479	6.7
109.10160	8.6
110.32677	5.6
119.08576	28.4
121.10130	15.3
123.08026	9.7
131.08574	14.0
133.10136	26.3
135.08055	15.0
135.11708	13.1
136.54472	6.4
145.10168	11.0
149.09680	7.0
159.11574	6.7
165.21165	6.7
168.42358	6.2
195.13727	9.1
242.24782	10.7
245.18910	24.6
254.21373	6.6
257.26846	9.8
263.20035	30.0
273.18378	6.6
290.26926	63.2
297.28506	7.4
347.25815	87.9
365.08359	8.9
365.23312	47.8
365.27444	79.4
365.33383	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
52.90053	5.2
54.79332	4.3
55.05516	4.8
57.07086	70.0
63.98536	4.5
67.05508	8.0
68.98536	4.5
69.07064	23.2
72.70601	4.6
79.05513	6.2
81.07063	24.8
83.08593	7.4
85.06557	50.8
93.07030	9.7
95.08583	12.1
104.58224	5.6
107.08570	12.7
109.06517	9.8
109.10149	7.1
119.08542	10.0
121.10112	8.1
123.07986	7.3
135.08037	7.6
135.11699	6.1
149.13255	6.1
157.10088	6.1
177.12860	7.9
192.43234	6.3
198.51547	5.6
263.20114	37.2
309.29803	8.0
329.24835	7.2
347.25803	78.9
365.08359	22.8
365.26898	100.0
377.92151	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77327	1.7
55.01871	4.0
55.05524	23.1
57.03443	10.3
57.07088	25.9
61.51278	2.5
67.05512	27.1
69.03432	3.8
69.07072	52.7
71.04974	2.7
79.05502	25.9
81.03453	3.0
81.07066	19.6
81.88961	2.5
83.04974	2.8
83.08614	12.9
85.06544	15.2
91.05469	10.5
93.07043	26.4
95.04968	4.5
95.08613	16.5
96.24303	2.2
97.02899	13.3
97.06529	10.5
97.10154	16.7
105.07019	5.9
107.04949	4.1
107.08577	30.3
109.06500	3.3
109.10156	13.5
119.08562	17.7
120.19321	2.3
121.06567	3.3
121.10154	8.9
123.08068	5.0
125.09652	11.3
131.08583	3.2
133.10114	9.7
135.08043	11.3
135.11702	16.5
137.09613	3.5
145.10139	4.1
147.11780	3.7
149.09660	3.0
149.13251	4.9
157.10094	2.8
159.11688	5.7
161.09631	2.9
167.14323	17.7
171.11636	3.0
217.14081	3.0
222.14015	2.4
223.13319	29.2
245.18997	3.6
263.20053	12.1
263.47937	3.3
273.18500	13.8
291.19516	66.8
321.05716	4.7
329.24698	5.4
344.78323	2.9
347.25803	48.9
365.08450	34.9
365.23181	100.0
365.27066	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.26561	2.9
55.05515	5.7
57.03432	13.7
57.07089	93.7
64.92285	4.1
67.01529	3.1
67.05506	19.1
67.50597	3.3
69.04571	4.1
69.07085	8.4
70.73180	3.6
73.18865	3.3
79.05490	16.0
81.07062	17.9
83.04964	4.0
83.08599	5.1
85.06550	75.4
91.05513	13.7
93.07043	21.7
95.08608	9.6
105.07035	5.5
107.08614	16.1
108.03400	3.7
109.10153	6.1
112.55267	4.1
119.08572	16.1
121.10122	7.0
123.08077	5.7
133.10208	4.1
135.07971	4.1
135.11694	18.8
137.09712	7.2
140.65871	3.6
147.11656	5.4
180.68086	4.2
195.13742	3.9
198.54318	4.4
245.19011	34.0
252.44696	4.2
263.20090	50.0
273.18405	5.1
291.19617	19.7
316.01923	4.1
321.05804	5.1
329.25037	5.1
347.25803	100.0
350.06003	7.3
365.08496	70.6
365.23035	61.2
365.27625	84.1
382.07364	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Salvic acid acetate
Peak:m/z	Relative Intensity
51.84249	0.9
55.01893	1.1
55.05505	1.4
57.03438	2.7
57.07082	100.0
62.62448	1.1
67.05511	5.3
69.07063	7.8
79.05489	4.3
81.07061	8.6
83.08604	5.1
85.06543	66.0
91.05465	1.5
92.21473	2.4
93.07037	7.6
95.08614	10.4
97.06520	1.8
105.07018	4.9
107.08603	16.1
109.06519	4.2
109.10150	2.3
111.08102	2.4
119.08544	8.6
121.10120	9.4
123.08047	11.4
123.11618	1.4
133.10149	6.5
135.11682	6.8
147.11679	4.4
149.09628	2.4
149.13208	2.1
150.87813	1.4
151.11185	2.5
157.10110	1.6
159.11761	1.1
161.13268	1.8
165.12712	1.8
177.12794	1.3
195.13820	4.4
213.47542	1.2
217.19508	4.4
235.20587	5.8
245.18951	34.1
253.61528	1.1
261.18332	1.8
263.20020	34.2
275.33313	1.1
291.19586	1.3
303.02191	1.1
308.27411	1.1
319.26315	7.4
321.06104	1.4
329.24765	7.7
347.25800	86.7
365.08521	12.8
365.19424	3.6
365.23138	5.6
365.27179	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05512	2.4
57.07084	2.6
67.05498	10.6
69.07062	12.1
71.04966	2.5
71.08620	12.2
79.05510	5.1
80.39130	2.0
81.07061	15.8
83.08633	4.2
85.06551	3.0
88.56486	2.0
91.05475	2.7
93.07040	8.8
95.04929	3.6
95.08602	17.8
96.27236	2.4
97.10159	2.9
99.08117	5.2
102.73647	2.3
105.07031	3.7
107.08598	11.8
109.06509	3.4
109.10159	5.4
111.04481	3.4
121.10118	3.9
123.08102	5.4
123.11698	3.4
129.27615	2.1
133.10156	3.3
135.08078	10.7
135.11673	4.3
137.05972	3.4
145.10126	3.5
147.11710	9.6
149.09595	4.8
159.11681	3.6
161.13235	2.6
163.11180	2.9
165.12624	2.4
175.06161	2.5
175.11237	2.8
179.14255	2.5
181.12157	3.2
231.17618	2.2
245.13716	2.4
291.19714	3.7
319.26355	9.2
329.24683	10.6
337.27661	3.0
347.25842	85.2
365.26944	100.0
365.33591	10.3
381.61789	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Ciprostene
Peak:m/z	Relative Intensity
51.73902	0.5
53.09532	0.5
57.07082	9.7
57.68968	0.4
67.05509	0.6
81.07050	1.2
85.06547	5.0
93.07017	0.8
95.08577	0.8
109.06515	4.7
114.26146	0.6
120.77524	0.6
162.08803	0.6
263.20041	100.0
270.91165	0.6
289.07706	0.5
347.25790	1.3
365.26904	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	Ciprostene
Peak:m/z	Relative Intensity
57.07079	3.1
67.05500	10.3
68.05858	1.8
69.07061	13.6
71.08632	2.3
79.05497	3.9
81.06580	1.4
81.07061	10.7
83.08607	2.1
85.06545	7.0
93.07030	12.7
95.08597	8.5
97.06532	6.5
107.08585	8.5
109.06566	1.6
109.10140	2.7
111.08067	2.7
121.10119	3.6
127.77324	1.6
132.19511	1.7
135.11703	11.0
138.29044	1.8
153.12662	2.6
157.10144	1.9
167.14357	2.6
167.84276	2.1
179.14326	7.3
193.12233	100.0
205.15897	3.0
217.14388	12.4
221.15240	2.1
263.20044	15.6
306.24945	1.8
319.26282	9.0
323.29761	1.7
347.25793	48.7
365.26880	27.3
365.32297	12.0
370.86057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.98363	0.7
55.01891	0.8
55.05516	1.4
57.07096	7.3
59.17733	0.6
60.39706	0.7
67.05511	1.3
69.07064	3.9
71.08656	0.8
81.07057	4.5
83.08614	1.2
85.06549	3.1
89.42047	0.7
93.07045	3.3
95.08609	4.0
97.06531	1.7
105.07024	0.7
107.08587	4.2
109.10168	1.3
111.04436	1.6
121.10194	1.1
125.05842	1.0
133.10155	1.4
135.08084	1.5
135.11703	1.7
137.06056	1.2
146.11079	0.8
149.13322	1.2
151.07437	0.8
157.10272	0.8
165.09061	1.4
177.12706	0.8
211.59782	0.7
263.20035	3.2
305.24683	3.6
319.26318	1.6
337.27460	0.8
347.25790	46.7
361.01343	0.8
365.26862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.00317	2.2
55.05518	5.9
57.03451	2.6
57.07085	90.8
67.05497	13.9
68.09783	2.1
69.07076	40.2
71.04999	2.8
77.74261	2.4
79.05492	16.0
81.07059	24.8
83.04975	4.7
83.08628	16.9
85.06545	50.9
86.06083	11.6
91.05436	4.9
93.07042	23.1
95.08604	22.1
97.06516	17.7
100.07415	2.6
105.07008	5.2
107.08593	29.4
109.06527	25.2
109.10146	10.3
111.08076	10.8
111.11728	3.9
117.07088	2.6
119.08601	5.3
121.10124	12.4
123.08033	9.8
123.11720	2.8
133.10129	3.8
135.08081	30.5
135.11707	33.7
137.51337	2.3
145.10136	6.4
147.11661	5.3
149.09633	4.1
151.07506	3.2
153.12762	12.5
161.09648	3.4
165.12740	12.0
167.14200	3.3
177.12762	17.4
189.00693	4.2
191.14297	3.8
193.12283	2.8
217.14301	15.4
262.56982	2.9
263.20078	45.6
273.18530	4.7
276.97546	2.6
291.19623	3.6
329.24731	3.1
347.21851	5.4
347.25800	100.0
365.12592	13.7
365.23080	8.0
365.26920	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05518	8.5
57.07085	11.0
62.58358	5.1
65.54671	4.8
67.05508	22.5
69.07060	13.6
71.08628	34.8
79.05484	5.7
81.07057	37.2
93.07033	24.7
95.08594	33.2
97.06502	9.5
99.08079	10.5
105.07061	8.8
107.08600	31.6
109.06522	10.1
109.10162	9.1
116.05136	6.0
121.10133	24.8
123.08039	7.6
123.11739	7.5
129.10260	7.2
133.10107	9.1
135.08060	26.9
147.11662	7.5
149.09543	8.6
152.65550	5.3
153.12720	20.3
166.33656	5.5
179.14127	6.0
189.56575	6.0
216.72134	5.0
249.18468	6.8
291.19473	10.1
291.26981	9.2
329.24786	35.8
347.25842	100.0
355.12332	5.8
365.26834	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
57.07074	3.6
59.06120	3.1
60.04513	3.0
63.31938	1.8
67.05495	11.7
69.07052	8.0
70.06519	2.2
79.05495	2.6
81.07053	16.9
81.66189	1.8
83.08632	3.3
85.03993	2.0
85.07669	100.0
87.09214	2.8
91.05457	2.9
93.07030	4.3
95.06100	1.9
95.08599	12.3
105.07020	2.3
107.08588	7.6
107.68696	1.8
109.07713	2.0
109.10170	3.7
119.08614	2.2
121.10124	4.0
140.14238	1.9
150.81192	1.9
159.11687	3.2
194.82738	1.8
204.77345	1.9
213.15872	2.3
245.25952	2.1
249.18539	2.6
263.20169	3.1
305.26044	2.3
322.27377	2.6
323.26917	30.0
347.26746	11.7
365.20792	4.8
365.27872	93.8
365.31815	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02563	4.6
62.92218	4.1
64.00463	4.5
78.90415	4.8
81.07054	7.4
85.07682	100.0
91.58304	5.4
92.21577	8.3
268.32980	5.1
272.11163	5.5
300.70224	6.2
359.50598	6.1
365.27890	29.6
365.31912	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81194	0.6
53.41169	0.6
53.54755	0.6
58.46879	0.5
90.47232	0.7
90.71597	0.6
95.72942	0.6
114.54949	0.9
137.52751	0.7
146.74098	0.7
183.29602	0.7
219.02010	2.9
258.97324	6.2
258.99994	3.2
261.03064	3.6
262.03201	0.8
263.02985	1.6
264.99011	3.1
277.01102	2.9
282.99969	64.6
292.07925	0.7
300.98544	6.0
301.01086	100.0
309.45630	0.8
309.95532	4.5
319.02182	9.0
321.45685	2.5
321.95688	3.4
325.01080	10.2
330.96063	1.6
343.02094	53.4
351.46484	1.0
351.96530	3.2
361.03198	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58718	1.1
52.66555	1.1
65.18222	1.3
80.32758	1.2
99.46943	1.2
138.76349	1.7
149.02345	9.3
172.03944	7.9
190.04990	100.0
194.20158	1.2
216.65224	1.4
218.04443	8.0
222.00620	1.6
266.07175	1.7
292.05991	2.0
294.06784	3.1
295.07443	1.8
305.06259	1.3
320.08441	2.6
322.06461	8.6
322.10785	6.7
323.07910	1.7
334.10724	2.3
336.04819	2.7
336.08798	4.8
336.12399	1.9
338.10141	2.0
348.04965	84.8
350.05261	3.0
350.10150	6.5
350.13956	5.0
351.06601	6.4
351.10922	6.7
351.14606	4.5
366.05887	42.1
366.09207	51.5
366.13556	11.7
366.17096	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45140	0.9
62.03421	0.9
80.88368	1.0
81.45653	1.0
119.14926	1.4
147.04424	22.5
149.02365	5.1
172.42548	1.1
174.01863	6.9
174.05490	11.0
175.03905	51.4
190.04961	7.7
204.02933	1.7
234.05432	1.9
262.04907	6.6
264.06799	1.4
280.03372	1.5
280.06070	23.7
290.04504	5.8
290.08090	5.7
292.06055	42.7
294.07428	1.3
301.77133	1.1
302.04382	4.5
306.03928	4.1
306.07349	1.7
308.05621	17.7
318.04010	7.0
320.05576	31.0
320.08972	2.0
322.07034	5.5
323.07880	2.5
333.06259	7.1
336.05127	1.2
338.06604	39.2
338.10150	3.2
348.05008	100.0
348.08582	6.1
351.07697	1.4
366.05936	44.2
366.09753	49.0
366.22958	1.4
367.51956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.095
Annotation	Cys Asp Glu
Peak:m/z	Relative Intensity
52.40396	1.3
58.06605	2.5
62.45898	1.1
76.89667	1.3
85.02897	2.0
97.02908	1.8
121.06480	6.0
125.04704	1.8
150.09212	1.7
170.63982	1.5
182.07823	1.3
238.00702	1.5
246.30299	1.7
251.63242	1.5
282.15158	1.9
341.15671	1.6
348.16263	3.2
366.09470	100.0
366.16415	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0968
Annotation	Laurodionine
Peak:m/z	Relative Intensity
51.61565	0.2
78.03299	0.3
83.07113	0.2
99.91306	0.3
151.03909	2.0
172.04085	1.2
174.05475	0.5
189.27008	0.3
190.04985	9.0
218.04510	3.8
245.04181	0.3
247.52298	0.3
252.06700	0.3
264.06528	7.0
265.07294	4.2
278.07956	1.0
279.08997	0.3
280.06097	2.7
292.06073	1.5
293.06909	1.1
294.07602	7.7
295.08295	1.2
306.07706	2.4
306.10901	0.5
307.08234	0.3
308.05490	4.7
308.12842	1.2
318.11349	1.6
320.05521	0.5
320.08920	0.5
321.09875	0.4
322.07181	6.0
322.10709	0.9
322.14313	3.8
323.07980	0.4
323.11459	0.3
323.18073	0.3
332.12814	5.7
333.06277	1.5
333.13541	5.8
334.10745	0.5
334.14413	1.3
336.05029	72.8
336.11798	12.2
348.08826	0.4
350.06638	1.1
350.13788	3.1
351.07352	91.1
351.14539	3.1
365.00424	0.3
366.09695	100.0
366.16714	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33075	0.8
90.35319	0.8
90.85790	0.8
94.49971	0.9
140.60342	1.0
172.03966	3.2
188.03418	1.1
190.04956	10.1
233.62549	1.0
243.69351	0.9
277.07535	1.2
282.06476	1.6
290.06219	1.0
291.06812	4.4
294.07535	3.7
295.05576	1.1
296.06122	2.0
297.07202	1.2
298.07898	1.4
304.06012	1.7
304.56464	1.1
305.06812	15.6
306.07681	1.9
308.05481	3.8
310.05823	1.8
311.06714	2.1
312.07681	4.0
317.06656	1.5
319.06491	26.6
320.09119	4.0
322.07089	9.5
322.10266	1.3
323.08041	1.8
325.06409	5.6
326.07324	8.3
332.06796	1.6
333.06232	16.5
334.07233	1.7
335.08011	1.8
336.04919	7.8
336.08618	3.9
338.10196	6.2
340.06842	1.3
348.08640	32.5
348.58759	1.1
350.06497	1.6
350.10379	1.3
351.07126	6.6
357.09152	20.2
366.09625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0968
Annotation	Laurodionine
Peak:m/z	Relative Intensity
50.77567	0.7
54.01961	0.7
55.69156	0.8
57.61145	0.9
72.80655	0.7
88.65249	0.8
137.06105	0.9
159.04428	0.9
168.65010	1.0
174.05431	1.1
189.00603	1.1
190.04971	2.1
294.07639	1.0
305.06631	1.6
306.07813	1.7
308.05859	1.4
321.06293	1.4
322.07086	7.1
323.07834	4.7
325.13297	1.3
333.06339	3.4
336.04938	5.9
336.08597	2.8
338.10150	6.1
348.08527	1.7
350.06583	4.0
351.07266	11.5
366.09665	100.0
366.22516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0969
Annotation	Laurodionine
Peak:m/z	Relative Intensity
50.88177	0.2
53.58692	0.2
67.05495	0.3
67.34003	0.2
68.05214	0.3
73.04041	0.3
76.88120	0.4
95.08629	0.4
96.50956	0.3
105.07063	0.4
163.73294	0.3
172.03915	8.1
185.67766	0.4
190.04982	100.0
218.04491	6.5
292.06152	0.4
294.07590	0.3
306.07535	0.4
308.05508	0.4
322.07077	1.2
322.10501	0.4
322.14056	0.4
333.06308	1.2
335.07571	0.3
336.04935	1.1
336.08536	0.7
338.10214	0.7
348.08640	30.7
348.22638	0.4
351.07343	1.9
366.09662	23.4
366.13153	1.7
366.17087	1.0
366.22528	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0971
Annotation	(-)-Turkiyenine
Peak:m/z	Relative Intensity
51.07884	1.5
54.37545	1.6
79.74236	1.5
101.12882	1.6
103.18713	1.9
127.60438	1.5
190.04999	1.9
308.05527	3.8
320.09036	7.6
322.06970	3.2
335.11084	2.1
336.05042	51.7
336.08884	4.2
338.13855	3.2
346.98376	1.9
348.08621	2.2
350.10022	6.1
351.07355	100.0
351.10742	3.5
366.09641	96.4
366.13458	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0969
Annotation	Laurodionine
Peak:m/z	Relative Intensity
53.33201	0.4
69.14592	0.4
123.94205	0.4
179.34361	0.4
190.04971	5.0
204.23763	0.4
232.48198	0.4
287.19525	0.4
295.94775	0.4
305.06848	2.0
306.07492	0.7
307.08350	0.6
308.05573	6.7
308.08914	0.6
318.03946	1.6
322.07092	5.7
322.10818	0.8
322.14108	4.4
323.04437	0.6
323.07852	5.1
333.06174	2.5
333.13293	3.0
334.14343	1.5
336.04980	10.7
336.08585	0.7
336.12042	4.7
338.10141	3.6
348.08588	2.2
350.13824	5.1
351.07336	7.4
351.14514	3.0
366.09705	100.0
366.16574	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0969
Annotation	Corydione
Peak:m/z	Relative Intensity
62.52880	0.3
73.05065	0.4
105.21412	0.3
175.03972	0.4
190.05005	2.5
294.07574	2.7
295.08121	0.4
307.08157	0.5
308.05609	0.5
320.09369	0.5
322.07068	1.9
323.07968	4.5
333.06213	0.4
336.05072	1.2
336.08820	0.9
338.10217	16.5
351.07248	1.7
366.09702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0971
Annotation	Laurodionine
Peak:m/z	Relative Intensity
54.73877	0.7
71.19066	0.9
113.25939	1.1
130.70026	0.9
157.47276	1.0
190.05026	4.3
235.13493	1.1
261.07849	1.8
262.08673	3.8
276.06677	1.4
277.07388	3.7
289.07309	1.4
290.04532	6.4
290.08096	7.3
291.08856	7.4
292.06091	5.9
292.09381	2.9
305.06818	19.3
306.07535	14.4
307.08307	7.3
318.03961	28.9
319.08362	2.1
320.05634	2.4
321.09885	4.1
322.07037	1.1
322.10687	2.2
333.06326	45.7
335.07816	7.2
336.05032	6.8
348.08704	23.9
351.07266	1.9
366.09720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0966
Annotation	Laurodionine
Peak:m/z	Relative Intensity
62.33075	0.8
90.35319	0.8
90.85790	0.8
94.49971	0.9
140.60342	1.0
172.03966	3.2
188.03418	1.1
190.04956	10.1
233.62549	1.0
243.69351	0.9
277.07535	1.2
282.06476	1.6
290.06219	1.0
291.06812	4.4
294.07535	3.7
295.05576	1.1
296.06122	2.0
297.07202	1.2
298.07898	1.4
304.06012	1.7
304.56464	1.1
305.06812	15.6
306.07681	1.9
308.05481	3.8
310.05823	1.8
311.06714	2.1
312.07681	4.0
317.06656	1.5
319.06491	26.6
320.09119	4.0
322.07089	9.5
322.10266	1.3
323.08041	1.8
325.06409	5.6
326.07324	8.3
332.06796	1.6
333.06232	16.5
334.07233	1.7
335.08011	1.8
336.04919	7.8
336.08618	3.9
338.10196	6.2
340.06842	1.3
348.08640	32.5
348.58759	1.1
350.06497	1.6
350.10379	1.3
351.07126	6.6
357.09152	20.2
366.09625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.097
Annotation	Laurodionine
Peak:m/z	Relative Intensity
129.58739	0.8
158.44263	0.6
159.04408	0.7
190.05029	2.7
292.06195	0.7
294.07645	1.1
304.05984	1.1
305.06693	1.0
306.07745	1.2
307.08319	1.2
308.05688	2.8
308.09180	0.8
318.04263	1.0
320.05527	0.8
320.09326	0.8
322.07300	7.7
322.26511	0.7
323.07910	3.1
333.06305	3.8
334.06934	1.6
335.07919	2.5
336.05295	7.0
336.08618	1.8
338.10214	7.2
348.08618	4.4
350.06329	1.2
351.07443	6.2
366.09717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28438	0.6
51.55703	0.6
53.09935	0.6
61.02927	1.5
69.03418	3.5
76.52216	0.6
76.98956	0.6
84.04474	0.7
85.02905	10.5
86.06046	0.8
87.04460	1.1
97.02871	3.7
98.06046	1.1
99.04484	1.1
112.65214	0.7
120.08060	0.7
121.06496	6.4
122.89841	0.7
127.03931	3.6
128.04878	0.7
156.04384	3.4
169.08592	1.4
186.03833	1.4
186.05498	47.6
204.06558	100.0
307.16229	0.8
330.15176	0.8
348.16629	1.1
366.11771	46.9
366.15918	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49990	0.6
60.84282	0.6
62.93111	0.6
63.05735	0.7
67.66291	0.8
69.47311	0.6
88.55517	0.7
103.81808	0.7
112.63725	0.7
112.68610	0.7
142.83313	0.8
190.05075	0.9
290.07956	1.2
291.08661	0.8
294.07651	3.2
305.10672	1.1
308.09229	3.0
309.09753	1.0
322.07257	2.1
322.10724	31.4
322.14130	1.3
323.07788	6.6
323.11237	2.0
334.10672	6.2
336.08606	20.0
336.12430	1.1
338.10214	29.5
350.10178	35.3
350.14172	1.5
351.06833	1.8
351.10977	45.7
366.09589	83.9
366.13431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1334
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
50.02674	1.5
56.37016	1.4
59.24035	1.5
67.05522	2.9
67.99152	1.5
68.86137	1.6
82.37985	1.5
89.59408	1.8
95.08575	3.0
105.07072	2.2
117.06995	1.7
123.93577	1.7
132.56194	2.0
188.93425	1.9
190.05075	3.0
292.06363	2.3
308.09109	8.2
322.07184	3.1
322.10849	4.3
333.06305	2.9
336.08664	100.0
338.10187	4.3
350.10132	4.1
351.07239	3.7
351.11032	39.6
366.09561	46.2
366.13419	67.8
366.22818	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1334
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
55.49634	0.5
60.04294	0.5
60.04530	8.1
61.20792	0.5
72.08099	0.5
81.07057	1.1
84.08130	0.7
86.09673	0.6
91.05438	0.5
93.07022	0.6
131.25537	0.6
136.16713	0.5
162.40387	0.5
168.59125	0.5
173.12802	0.6
252.12592	0.7
307.08252	1.0
308.09021	1.3
320.09189	3.8
322.10541	1.9
334.06686	0.5
336.08670	30.1
348.08688	8.3
348.27328	1.2
351.11005	100.0
366.09415	12.4
366.13300	77.8
366.28418	9.9
372.96039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49684	0.5
66.91959	0.7
83.60739	0.6
103.67871	0.7
104.83968	0.6
105.07022	0.7
177.06856	0.8
190.05025	5.3
203.03122	0.7
258.10309	0.7
291.08789	1.1
305.10333	1.1
307.08374	2.7
308.05875	1.4
308.09286	3.1
318.04343	1.0
321.09924	1.0
322.07230	1.8
322.10706	26.6
322.48764	0.8
323.11603	1.3
333.06232	0.9
334.10632	6.1
336.05130	1.6
336.08658	27.4
336.12460	1.6
338.10086	1.6
348.05057	0.9
350.10223	30.6
350.13437	1.2
351.04196	0.9
351.06693	1.1
351.11008	48.5
366.09598	11.6
366.13406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1332
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
60.04536	0.6
62.46928	0.2
73.47171	0.3
82.56783	0.3
92.43879	0.3
92.47806	0.3
94.68615	0.3
96.03635	0.3
121.03745	0.3
151.90527	0.3
155.80681	0.3
204.06706	0.5
253.74622	0.3
294.09680	0.5
322.10742	1.4
336.08633	28.0
339.73523	0.4
351.10999	100.0
366.13382	67.3
366.28439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26709	0.4
54.95594	0.5
57.03440	1.1
64.87788	0.5
66.18999	0.5
67.05487	1.0
69.31233	0.5
76.34968	0.5
78.53868	0.5
81.07065	0.9
91.05474	0.9
95.04965	0.7
104.97021	0.6
105.07053	0.7
109.06568	0.7
182.40242	0.6
202.08684	0.8
274.18600	1.1
290.08041	1.2
305.10599	1.0
307.08475	2.5
308.09213	3.0
322.07428	0.8
322.10712	23.6
323.08087	0.8
334.10779	4.0
336.04657	1.2
336.08636	29.5
338.10168	2.5
348.22403	4.3
350.10175	28.3
351.06726	1.7
351.10974	48.0
366.09570	13.2
366.13388	100.0
366.23343	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00606	0.4
89.32066	0.4
108.84274	0.4
114.41516	0.4
153.34615	0.5
160.94131	0.4
175.03865	2.4
189.78664	0.4
190.04985	2.6
216.54041	0.6
266.08191	1.8
293.07010	0.7
294.04269	0.7
294.07538	14.2
295.08456	4.3
305.06689	0.7
307.08401	1.7
308.05579	1.0
308.09207	1.8
309.09967	2.5
310.10724	1.0
322.07040	5.7
322.10742	12.0
322.14331	0.7
323.03967	0.8
323.07852	19.8
323.11383	1.0
334.10721	2.6
336.05060	1.2
336.08636	16.5
336.12167	0.9
338.10208	77.3
348.04971	0.8
350.10202	12.7
350.14139	0.6
351.07346	1.7
351.11002	25.1
366.09631	100.0
366.13489	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1336
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
53.18049	0.5
54.33643	0.5
55.14550	0.5
59.35913	0.5
64.56674	0.5
65.57135	0.6
81.07063	0.8
83.69493	0.5
102.66394	0.6
115.57280	0.6
135.08160	0.8
160.85889	0.6
235.91122	0.6
291.08987	0.8
305.10413	0.7
306.11441	0.7
307.08389	1.2
308.09268	4.0
322.07468	0.8
322.10715	22.3
323.11618	1.3
334.10776	4.9
336.08646	29.5
336.12128	1.6
338.10223	3.4
348.22263	1.4
350.10202	27.8
351.06680	1.5
351.11011	50.5
366.09741	7.1
366.13373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18049	0.5
54.33643	0.5
55.14550	0.5
59.35913	0.5
64.56674	0.5
65.57135	0.6
81.07063	0.8
83.69493	0.5
102.66394	0.6
115.57280	0.6
135.08160	0.8
160.85889	0.6
235.91122	0.6
291.08987	0.8
305.10413	0.7
306.11441	0.7
307.08389	1.2
308.09268	4.0
322.07468	0.8
322.10715	22.3
323.11618	1.3
334.10776	4.9
336.08646	29.5
336.12128	1.6
338.10223	3.4
348.22263	1.4
350.10202	27.8
351.06680	1.5
351.11011	50.5
366.09741	7.1
366.13373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00606	0.4
89.32066	0.4
108.84274	0.4
114.41516	0.4
153.34615	0.5
160.94131	0.4
175.03865	2.4
189.78664	0.4
190.04985	2.6
216.54041	0.6
266.08191	1.8
293.07010	0.7
294.04269	0.7
294.07538	14.2
295.08456	4.3
305.06689	0.7
307.08401	1.7
308.05579	1.0
308.09207	1.8
309.09967	2.5
310.10724	1.0
322.07040	5.7
322.10742	12.0
322.14331	0.7
323.03967	0.8
323.07852	19.8
323.11383	1.0
334.10721	2.6
336.05060	1.2
336.08636	16.5
336.12167	0.9
338.10208	77.3
348.04971	0.8
350.10202	12.7
350.14139	0.6
351.07346	1.7
351.11002	25.1
366.09631	100.0
366.13489	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56339	0.4
61.85298	0.5
64.43262	0.4
69.66483	0.5
75.96402	0.4
76.93963	0.4
85.44726	0.4
86.63560	0.4
88.18544	0.5
103.26522	0.5
129.09210	0.4
132.10243	0.9
136.45354	0.4
154.96947	0.5
190.04996	0.9
223.26544	0.4
230.21175	3.3
264.06430	0.9
274.23721	3.3
292.06348	0.6
294.07635	2.6
305.14111	0.8
306.07584	0.7
306.11133	0.8
307.08368	1.9
307.11920	0.7
308.05658	1.1
308.12701	0.6
321.13571	0.9
322.07196	9.9
322.10904	1.5
322.14331	30.7
323.07968	2.3
333.09943	1.8
334.07123	2.8
334.14307	6.3
335.11502	0.6
336.05103	21.5
336.08560	2.0
336.12164	15.3
338.10165	2.0
350.06610	2.2
350.13852	46.7
351.07901	4.3
351.14648	32.9
351.18057	0.6
366.09839	29.3
366.16989	100.0
366.28360	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88662	0.6
74.18990	0.6
83.51202	0.8
87.45821	0.6
119.30319	0.7
140.38699	0.7
173.52368	0.7
173.54321	0.6
173.61636	0.8
190.05016	2.6
219.80989	0.8
279.08905	1.6
292.09720	0.9
294.07370	1.0
306.07755	0.8
306.11273	1.0
307.08237	0.9
308.09512	1.6
308.12808	5.1
318.11166	10.1
320.09256	1.6
320.12811	0.9
322.07211	0.9
322.10666	3.7
322.14432	13.2
323.11633	1.0
332.12790	23.2
333.13544	25.9
334.10742	1.4
334.14352	4.8
335.11395	1.0
336.05484	10.4
336.12253	62.2
338.13803	4.3
350.10196	2.2
350.13895	14.7
351.07385	19.7
351.14505	17.7
366.09842	21.2
366.13419	8.8
366.17035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79574	0.4
67.43426	0.4
89.24052	0.4
92.21061	0.5
98.40155	0.4
132.29193	0.4
138.03491	0.4
143.66821	0.5
146.93967	0.3
152.57286	0.4
153.31876	0.4
167.10400	0.4
169.19435	0.4
173.02853	0.4
204.92041	0.4
231.00163	0.5
305.14044	0.8
307.12085	0.5
308.13034	2.0
319.06717	0.4
321.13535	1.4
322.10861	1.0
322.14352	25.7
334.10544	0.7
334.14279	6.0
336.08734	0.8
336.12256	13.3
336.16003	0.7
350.07526	0.6
350.13867	46.6
351.14642	30.5
366.10281	7.2
366.16992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45600	0.4
85.21568	0.4
87.00928	0.4
87.33027	0.5
93.51846	0.5
95.29223	0.5
137.24162	0.4
149.02373	0.6
160.24408	0.5
190.05002	2.1
294.07700	1.9
305.06955	2.0
306.07703	0.7
308.05545	2.4
308.12924	4.5
312.45999	0.5
318.11334	8.4
319.06506	0.8
320.05716	0.7
320.09280	1.0
321.09970	0.7
322.07031	4.2
322.14346	14.0
332.12820	18.9
333.06583	0.7
333.13583	19.9
334.14258	3.9
335.07910	1.1
336.05212	4.6
336.12305	57.5
338.10214	4.1
348.08655	3.6
350.06674	0.7
350.13852	12.5
350.17856	0.6
351.07516	2.7
351.14651	16.5
357.09302	3.0
366.09781	65.8
366.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.17
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
57.03425	0.5
57.37186	0.5
58.40297	0.6
65.31783	0.6
70.74823	0.7
83.21860	0.7
92.21450	0.9
105.67809	0.7
141.91660	0.7
148.14172	0.8
161.70181	0.7
172.03925	0.9
190.04979	18.8
218.04468	1.2
230.21104	1.7
254.77129	0.8
273.47980	0.7
274.23761	1.6
302.10577	0.8
308.12698	5.2
318.11230	9.0
320.09418	0.9
322.14450	14.0
332.12863	19.6
333.13580	24.7
334.14294	4.1
336.12299	52.8
348.05048	18.1
350.13858	11.6
351.10422	1.1
351.14633	19.1
366.05878	8.9
366.09470	2.7
366.13324	3.9
366.16971	100.0
366.28433	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44807	0.6
57.93077	0.6
58.25856	0.7
62.57976	0.7
72.08101	0.6
72.47550	0.6
74.72485	0.6
77.44016	0.5
96.10355	0.6
102.44492	0.7
121.06494	0.6
149.02309	1.1
158.52815	0.6
172.03957	1.1
190.04988	21.5
218.04443	1.0
230.21201	1.6
237.39954	0.7
249.39166	0.8
274.23761	0.8
308.12720	5.7
318.11246	8.7
320.09152	0.8
321.09921	0.8
322.10712	1.0
322.14420	13.4
332.09045	1.1
332.12790	23.6
333.10117	1.6
333.13568	26.2
334.14322	4.1
336.08820	2.3
336.12274	55.1
348.05075	18.4
348.21884	1.0
350.13818	13.2
351.10492	1.0
351.14694	16.3
366.06213	10.9
366.09570	3.1
366.13272	4.7
366.16980	100.0
366.28610	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13807	0.3
51.91862	0.4
55.80410	0.3
56.09500	0.4
57.03447	0.8
65.02893	0.3
67.05500	0.7
69.07056	0.6
70.94125	0.4
79.05496	0.6
81.07045	1.0
91.05473	1.1
93.07001	0.5
95.08637	0.9
96.71388	0.4
100.93043	0.4
102.46117	0.4
105.07052	0.5
106.07365	0.5
107.08585	0.8
109.06527	0.7
113.68109	0.4
119.08590	0.9
121.01481	0.5
138.99350	0.4
146.10538	0.6
190.05037	3.0
239.09467	0.4
248.07040	0.5
252.06516	0.6
253.07326	1.9
265.07321	0.6
266.08182	1.8
267.08951	5.6
274.18805	2.5
277.07492	0.7
278.08118	2.5
279.08890	1.0
280.06058	4.4
280.09308	0.7
282.11276	1.6
292.06046	2.0
293.06799	4.1
294.07611	3.6
295.08411	6.1
304.13272	1.8
305.14212	2.1
306.07437	2.9
307.08255	1.9
308.05487	2.0
308.09241	2.1
308.12769	0.8
309.09717	0.6
310.10721	5.7
318.11285	2.6
321.06277	3.2
321.09961	1.5
321.13486	0.7
322.07065	22.1
322.10733	3.9
322.14383	14.6
323.07904	8.7
325.05832	2.4
332.12769	7.3
333.06415	0.6
333.09937	0.8
333.13495	5.9
334.14334	4.6
336.05045	3.2
336.08600	4.2
336.12326	20.9
337.09402	9.8
338.06335	0.9
338.10196	15.4
348.04858	1.0
348.22357	2.0
350.06802	8.2
350.13837	23.3
351.07797	4.5
351.14639	22.3
366.09671	100.0
366.16989	85.9
366.23376	4.0
389.66348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.17
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
51.02735	0.5
57.03437	1.2
57.50439	0.5
66.73464	0.6
67.05524	1.3
67.28089	0.5
71.73096	0.5
77.95970	0.5
81.07069	0.6
83.08613	0.5
86.10341	0.5
91.05473	1.5
105.07066	0.9
125.07970	0.7
147.04451	0.9
171.11667	0.6
175.03932	1.0
190.04945	0.8
194.72058	0.8
246.18767	0.5
267.08957	1.2
274.18900	2.6
277.07346	1.3
278.08151	0.8
280.09506	0.6
290.08167	0.6
292.19827	0.6
293.06940	1.4
294.07663	13.1
295.08469	4.7
304.13510	2.4
305.06918	0.7
305.14154	1.4
308.05780	0.8
308.12555	0.7
309.09982	2.8
310.10773	2.4
318.11325	2.5
321.10062	1.0
321.13757	0.9
322.07138	8.8
322.10776	7.2
322.14426	15.2
323.07870	17.0
332.12823	10.2
333.13617	9.1
334.10989	0.9
334.14554	5.8
336.08649	1.7
336.12268	28.5
338.10214	73.5
345.34015	0.6
348.22510	2.1
350.06696	0.9
350.10330	1.1
350.13852	24.9
351.07672	0.9
351.10931	1.4
351.14645	27.4
366.09769	75.2
366.16937	100.0
366.24051	2.7
377.96994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29810	0.4
57.03434	0.6
67.05506	0.5
68.87677	0.4
79.05509	0.6
81.07035	0.4
91.05476	0.7
93.07046	0.8
95.08589	0.5
108.08946	0.4
109.06510	0.5
119.74152	0.4
131.08604	0.5
132.08911	0.5
157.10089	0.5
266.73151	0.4
274.18643	0.7
305.14191	0.8
307.12021	0.7
308.12759	1.8
321.13623	1.9
322.14362	30.1
334.14365	5.1
336.08728	0.8
336.12323	13.8
348.22574	1.6
350.13858	45.5
351.14633	32.4
355.67722	0.4
366.09448	2.9
366.16983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56046	0.3
55.01859	0.4
55.05517	0.7
56.05041	0.8
58.06604	0.4
59.05008	0.8
61.02925	0.8
67.05508	5.8
69.03423	2.0
70.06593	0.7
72.08150	0.5
73.39213	0.5
74.02437	3.7
81.03409	1.0
81.06612	0.9
81.07059	15.0
82.95063	0.4
85.02440	0.6
85.02917	12.9
95.06103	3.3
95.08614	0.6
97.02898	3.9
99.04449	0.6
109.02874	0.6
110.07185	0.7
123.11703	21.8
125.10950	0.5
127.03922	2.3
137.06032	0.8
140.14346	100.0
151.07576	0.6
157.88760	0.4
158.15373	6.5
169.08586	2.4
182.15413	1.2
186.05527	6.1
186.14890	63.7
187.09631	0.6
204.06581	12.9
204.15950	63.1
219.98260	0.6
246.16953	0.6
263.17487	3.6
322.24841	2.4
348.20178	1.8
366.11801	5.5
366.15799	2.7
366.20837	5.9
380.01950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30177	1.1
57.07086	6.8
59.26219	1.3
64.90674	1.2
68.87182	1.5
69.07060	1.6
81.07100	1.5
85.06533	3.2
85.21630	1.5
87.47241	1.5
95.08643	2.3
109.10161	1.5
112.09370	1.4
117.17913	1.6
121.07584	1.8
148.11542	1.6
178.12068	2.3
190.04999	7.9
222.10999	11.7
252.15668	16.2
306.07471	2.6
318.03964	2.5
322.07047	2.5
323.08011	1.9
333.06360	8.9
336.05069	5.4
336.08551	1.8
338.10056	6.6
348.08569	2.0
348.26221	7.9
350.06339	2.2
351.07437	2.8
366.09738	56.8
366.16684	5.4
366.22574	100.0
366.26770	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48257	1.4
55.05523	12.7
57.03440	3.2
58.06597	7.6
58.40826	1.5
60.17323	1.4
61.47322	1.4
65.71295	1.7
67.05492	14.0
69.07060	4.5
71.04996	2.0
72.08138	2.0
77.26632	1.7
79.05491	9.0
81.07045	11.4
83.08620	12.2
84.08130	9.9
87.59708	1.7
91.05482	11.2
93.07039	9.1
94.29527	1.9
95.04955	9.5
95.08627	4.2
97.06541	2.8
97.10160	14.2
101.21984	1.9
102.84089	1.8
105.07052	8.5
107.04947	4.4
107.08576	12.2
109.02867	2.3
109.06508	2.1
109.10171	8.0
111.08086	2.2
112.07682	3.2
117.07015	3.7
117.07804	1.7
119.08576	11.4
121.06517	13.1
123.08041	2.3
124.07602	3.5
125.09613	12.3
131.08629	4.3
133.06458	2.6
133.10107	10.0
133.16008	1.6
134.09662	2.0
135.08054	4.2
136.07565	2.3
136.11220	7.8
138.09285	2.3
139.75174	1.6
143.08630	2.0
145.06511	4.7
145.10139	2.7
145.49158	1.9
146.09624	3.1
147.08035	3.9
147.11685	3.3
149.09554	2.2
154.12317	2.5
159.08037	4.0
162.09138	3.5
163.07545	3.4
173.09698	2.1
175.11090	1.8
189.11267	2.7
190.04997	3.1
196.13274	7.7
198.29018	2.0
219.13934	3.3
237.14832	15.9
240.14046	2.4
250.14360	33.7
268.15375	19.0
270.18542	3.0
271.16794	2.5
288.19562	14.7
289.17923	17.2
305.06793	2.7
306.20599	7.1
307.19046	3.4
322.07083	3.1
327.17844	2.3
333.06265	3.8
336.05096	2.7
338.10217	9.4
348.08609	3.1
348.21649	25.0
351.07355	10.0
366.09677	68.8
366.16440	3.1
366.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57244	0.8
57.41814	0.7
60.04533	52.1
67.05519	7.0
67.05820	0.8
69.07090	1.5
72.91341	0.8
79.05488	5.7
81.07072	12.8
88.03989	16.1
91.05473	2.0
93.07041	9.9
95.08607	6.9
105.07007	1.7
106.05034	100.0
107.08611	8.0
109.10167	4.9
117.06971	1.1
121.10117	6.9
123.11727	1.3
131.08557	1.6
133.03421	1.1
133.10121	3.9
135.11703	7.5
145.10085	2.2
149.13260	4.9
159.11618	1.2
161.13232	1.4
163.14871	1.9
243.20984	1.7
258.10657	1.0
261.22171	9.5
344.36862	1.0
348.26065	7.9
366.09586	2.2
366.26733	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	10.3
57.10470	0.9
58.07418	1.9
62.82795	1.0
67.05479	1.8
69.07063	1.0
81.07059	1.7
85.06540	4.9
86.06895	1.6
92.20889	1.2
96.11505	1.0
109.06525	5.8
110.06817	1.8
114.38741	0.9
114.89164	1.0
121.10142	1.0
137.46324	1.0
170.13399	1.0
263.20041	30.4
264.20392	100.0
321.22699	1.8
348.26068	7.1
366.09668	2.1
366.27118	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36139	0.4
53.03951	0.3
55.05495	0.6
56.56947	0.4
57.06826	0.5
57.07083	9.7
58.07420	3.3
58.14283	0.4
64.19865	0.5
66.08074	0.4
67.05501	1.9
67.05869	0.5
68.05841	0.5
69.07063	1.9
79.05490	1.0
81.07053	2.4
82.07394	0.9
85.06552	5.8
86.06853	1.0
92.21611	0.6
93.07043	1.9
94.07357	0.9
95.08600	1.0
96.08939	1.0
107.08597	0.8
108.08938	0.5
109.06523	3.9
110.06850	2.3
110.10495	0.6
123.08101	0.5
135.36588	0.4
145.99187	0.5
151.07533	0.6
174.10042	0.6
190.05003	0.6
263.20038	28.5
264.20380	100.0
307.25366	1.1
348.26141	3.1
366.09622	2.6
366.27155	16.2
366.32669	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2999
Annotation	Melophlin P
Peak:m/z	Relative Intensity
55.05527	1.2
56.36445	0.6
57.07082	0.7
59.95517	0.7
60.15014	0.6
67.05513	9.3
69.03426	1.6
69.07060	1.6
71.08608	0.8
79.05491	3.4
81.07056	12.2
83.08628	1.2
86.06069	100.0
87.04466	16.2
87.10464	0.7
91.05480	1.3
93.07034	4.0
95.08597	9.0
97.06536	0.8
104.07107	25.7
105.07009	1.4
107.08587	1.5
109.10152	3.9
119.08613	2.6
121.10132	2.9
123.11722	3.3
133.10098	1.5
145.07599	0.7
147.11714	1.1
190.04971	1.1
245.22630	1.0
252.19731	0.7
263.23672	3.5
265.30750	0.7
338.10257	1.0
348.28967	1.4
366.09576	8.4
366.25891	2.2
366.30057	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3002
Annotation	Melophlin P
Peak:m/z	Relative Intensity
50.77013	0.5
54.66053	0.4
67.05512	5.0
69.03433	3.2
69.07063	4.8
79.12152	0.5
81.07058	6.0
83.08627	1.0
83.19762	0.6
86.06072	100.0
87.03065	0.6
87.04475	14.1
91.05494	1.5
93.07018	1.0
95.08614	6.1
104.06450	1.1
104.07111	22.9
107.08566	1.0
107.71431	0.7
109.10155	3.3
119.08615	0.6
121.10162	1.1
133.10095	0.8
135.11664	1.4
245.22604	1.2
263.23688	1.5
348.26129	2.9
366.09656	7.6
366.30209	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16504	0.8
55.05523	9.6
57.07077	3.5
57.26979	0.8
67.05514	31.0
69.07076	21.2
71.05000	1.1
79.05500	4.4
81.07067	45.2
83.08625	9.9
93.07037	6.1
94.87627	0.8
95.08615	33.7
97.10178	4.6
99.04462	2.0
99.08100	1.2
107.08629	5.3
109.10158	12.6
119.08559	1.4
121.10151	4.0
123.11739	4.4
135.11726	1.3
137.13313	1.2
151.14900	1.2
153.25290	0.9
307.26309	39.1
318.04160	1.0
320.67313	1.0
333.06253	1.5
366.09732	7.1
366.33679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00194	0.8
55.05518	10.6
55.53818	0.8
55.70536	0.7
57.07087	2.0
59.98555	0.7
60.08170	2.0
67.05513	30.1
69.07064	16.0
77.64218	0.8
79.05474	4.3
81.07063	38.5
83.08619	9.1
85.06540	1.0
93.07044	6.1
95.08607	33.1
97.06522	1.1
97.10181	3.9
99.04437	1.3
105.07047	2.0
107.08603	4.0
109.10149	11.9
119.03557	1.0
119.08555	1.5
121.10145	5.0
123.08067	0.8
123.11696	4.9
133.10101	1.6
137.13271	1.5
147.11726	0.9
180.78714	0.9
253.22194	1.0
286.15945	1.0
307.26318	43.5
341.74570	1.0
359.54312	1.0
362.65414	1.0
366.33679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3366
Annotation	Semiplenamide A
Peak:m/z	Relative Intensity
55.05536	10.3
57.07088	1.6
58.35169	1.1
60.08171	1.7
60.99297	1.4
66.72327	1.1
67.05512	27.1
69.07068	20.8
72.64014	1.1
73.02902	1.6
79.05527	4.6
81.07065	39.6
83.08623	7.5
91.05495	1.9
93.07036	3.0
95.08617	35.3
99.04465	1.8
107.08601	6.3
109.10169	14.3
114.83701	1.4
119.08594	1.7
121.10149	5.4
123.11737	5.7
133.10085	1.4
135.11732	1.5
137.13235	2.0
149.09637	1.9
203.89211	1.2
290.08710	1.4
307.26315	42.1
347.06876	1.5
366.09775	6.8
366.33725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46586	0.3
53.33567	0.3
55.05511	0.8
67.05495	0.4
69.07059	0.6
71.04994	0.4
78.87332	0.4
79.05505	0.9
80.62434	0.3
81.07047	1.8
82.52590	0.4
89.12292	0.4
91.05449	0.6
93.07034	1.7
93.69389	0.5
95.08599	1.6
97.10180	0.6
105.07032	0.6
107.08572	2.4
109.06536	0.7
119.08562	1.5
121.10120	0.8
125.09627	0.6
131.08557	0.7
133.10124	0.8
145.10095	0.6
149.09666	0.4
159.11761	0.6
190.05067	0.5
202.51620	0.4
212.41771	0.5
227.94048	0.4
275.20062	3.4
280.04825	0.6
295.07114	6.9
321.09552	0.5
332.05511	0.4
348.61435	0.4
349.23718	2.2
352.07443	0.9
365.25433	0.6
367.09244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98413	1.5
72.44918	1.4
110.55360	1.5
110.78611	1.6
116.07140	3.5
175.04463	11.7
175.20139	1.8
201.06259	2.1
275.06268	3.0
298.39868	1.7
349.12448	2.3
367.10010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19253	0.6
54.17209	0.6
70.06586	3.3
70.22332	0.7
72.08150	0.6
84.78377	0.6
88.16759	0.6
114.39568	0.7
119.01967	0.7
127.08662	1.4
205.04669	1.0
219.05045	1.2
261.06223	0.9
276.58170	0.7
321.09140	5.5
367.09964	100.0
385.09875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49316	0.4
92.65252	0.4
94.07211	0.4
97.35642	0.3
104.31433	0.3
118.36962	0.3
149.02350	0.6
177.07355	0.4
278.57199	0.4
292.06686	0.9
292.09586	1.8
294.07758	0.8
295.07898	2.0
304.09589	0.4
305.06842	0.4
306.07431	2.0
307.07840	1.7
309.05765	3.4
309.08960	0.5
320.09033	2.4
321.09848	3.3
322.06833	1.9
323.07373	8.1
323.10934	0.7
324.08176	1.7
334.06558	0.7
335.07626	1.4
336.04520	0.6
336.05841	0.7
336.07983	4.4
336.12210	5.7
337.05203	5.9
337.08075	4.9
339.10532	7.4
351.06689	3.0
352.06985	3.8
367.09943	100.0
373.87732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75475	1.0
55.64394	0.8
55.70420	0.9
59.26884	1.0
67.05499	1.2
72.41785	1.1
73.39930	1.0
81.07055	1.9
95.08582	1.5
166.06284	1.6
175.07701	1.2
178.93443	1.2
181.08614	4.8
183.15186	1.2
186.05573	2.1
190.06258	5.4
199.07628	1.9
205.08591	17.6
246.78506	1.2
275.20038	1.4
276.06525	2.4
277.07401	2.1
278.08093	7.8
280.09695	5.3
289.08551	1.8
291.08908	8.0
304.10989	1.6
305.07175	5.1
305.11551	10.5
306.07617	38.0
307.08371	7.9
308.09155	71.2
320.09396	2.4
321.11243	17.3
322.10727	100.0
323.11462	23.5
334.07126	21.7
335.12372	3.9
336.13498	16.7
337.10550	1.4
349.09415	7.3
349.23737	1.4
367.10443	51.5
367.15378	38.3
367.24493	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69471	0.9
55.01875	2.2
55.05516	6.1
57.03439	2.6
57.07112	1.2
67.05515	8.9
69.03431	1.0
69.07063	5.2
70.89713	1.0
71.08624	6.4
79.05489	7.3
81.07064	11.8
83.08622	1.6
91.05482	5.6
93.07054	7.8
95.04970	4.3
95.08617	7.1
97.06529	1.3
97.10146	2.4
99.08119	1.9
102.19781	1.2
104.37915	1.2
105.07030	5.9
105.85727	1.1
107.04976	1.8
107.08594	5.1
109.10162	6.6
117.06998	1.5
119.08611	4.5
121.10153	2.2
125.09596	1.8
129.78491	1.1
131.08571	4.8
132.77180	1.1
133.10143	2.3
137.09631	1.5
143.08543	1.2
145.10139	2.4
147.11682	2.1
149.09637	1.2
151.11156	2.0
158.99724	1.3
159.11702	1.7
159.48033	1.1
159.49307	1.3
163.11095	1.4
177.12801	1.5
186.05490	1.5
247.20599	2.2
250.08641	1.4
269.17551	1.5
275.20096	10.1
276.06592	4.6
277.07315	2.7
278.08102	6.5
280.09714	7.1
289.07211	1.9
290.08322	1.3
291.08899	7.4
292.09668	1.5
293.21082	16.8
304.02710	1.4
305.06732	2.7
306.07581	41.5
307.08313	5.9
308.09149	81.0
320.09140	4.8
322.10736	100.0
323.11517	21.0
334.07120	24.9
335.08041	1.5
349.09448	8.4
349.23706	5.7
358.16312	6.3
367.10440	54.4
367.24466	26.9
374.19980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05628	0.9
52.34531	1.0
67.05502	2.5
79.05507	1.2
79.11668	1.1
81.07063	3.0
82.97369	1.4
87.98888	1.3
90.04361	1.3
93.07068	1.6
95.04961	1.9
95.08624	5.0
105.07054	1.9
107.04966	1.5
107.08611	1.7
109.10165	1.4
113.96323	1.4
119.08646	1.8
121.10130	1.2
161.05995	1.8
166.06310	2.1
175.07578	2.6
177.00650	1.7
181.08609	8.8
190.06325	12.6
199.07585	6.4
205.08591	31.8
261.09061	4.9
275.10699	1.9
275.20004	2.8
276.06635	5.0
277.07611	2.1
278.08093	6.8
280.09695	6.8
284.97250	1.3
289.08432	2.9
291.09009	7.6
293.11911	1.5
293.20966	1.5
303.10162	1.8
304.10895	2.9
305.07779	6.5
305.11749	17.2
306.07599	29.9
307.08383	3.0
307.13107	1.3
308.09174	71.7
320.09796	2.9
321.11221	31.5
322.10730	100.0
323.11560	22.0
334.07117	26.2
335.12741	7.7
336.09683	2.4
336.13519	38.1
337.10730	4.9
349.09314	7.7
351.33914	1.3
352.13220	1.5
356.05154	1.4
358.16388	6.2
367.10403	58.6
367.15399	64.8
367.24911	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04684	0.9
53.84835	0.8
54.49501	0.8
54.56776	0.9
60.67439	0.9
66.28371	1.1
66.90385	1.0
81.07059	1.3
85.11641	0.8
85.87962	1.0
109.08435	1.0
130.98801	1.1
158.32516	0.9
186.05583	1.7
190.06284	1.1
199.07455	1.4
205.08656	6.6
237.07834	1.6
248.06926	1.8
265.07309	1.2
276.06561	4.2
277.07620	2.3
278.08093	7.8
280.09805	4.7
289.07550	1.3
291.05945	1.1
291.08850	10.8
305.06995	5.4
305.11859	3.9
306.07584	36.6
307.08307	7.8
308.09161	73.4
320.09470	2.4
321.11319	4.4
322.10718	100.0
323.11472	23.3
329.09708	1.6
334.06958	23.2
335.07791	1.4
336.13571	7.6
349.09378	8.1
358.16653	2.3
367.10538	59.2
367.15317	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18416	1.1
62.12634	1.1
64.07618	1.0
66.79082	1.3
69.03452	1.6
70.68143	1.0
81.03433	1.2
85.02901	5.9
118.06542	2.2
121.02850	1.2
130.06526	16.2
131.03354	2.2
132.08112	9.5
144.08089	100.0
146.06007	32.7
156.08119	16.3
159.07959	1.3
159.09215	1.9
168.08115	6.8
170.06000	5.0
171.09187	2.3
172.06088	2.5
173.10818	2.2
182.05928	1.7
183.09233	6.6
184.07565	1.8
188.07083	38.1
202.08641	6.1
212.07045	1.8
217.09763	25.7
218.06602	4.9
229.09731	19.5
230.08118	2.9
240.10181	3.0
254.08130	2.2
258.11276	6.7
271.10974	1.9
276.12350	6.1
299.58624	1.4
303.13422	2.0
331.12833	2.8
332.11368	9.5
349.13950	42.0
367.10428	1.8
367.14963	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30885	1.9
65.25611	2.1
85.02890	2.4
99.04436	3.6
121.99377	2.1
136.06155	17.5
137.06586	4.5
147.04417	2.4
153.48557	2.4
184.07524	3.5
200.07031	2.6
206.62230	2.5
215.11783	2.7
217.09808	5.2
229.09698	50.2
243.11253	27.9
245.09183	69.7
253.09583	9.2
257.09158	9.7
259.10699	9.2
271.10773	85.0
281.09116	22.1
287.10211	39.9
289.11694	4.8
299.10162	20.0
304.39536	2.6
305.11359	19.3
317.11359	24.6
335.08325	4.2
335.12335	100.0
349.13641	4.7
367.08487	4.6
367.12338	3.2
367.16104	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.15
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
61.51448	1.2
69.03426	1.5
74.02441	2.2
75.04436	1.2
85.02897	3.0
90.74630	1.4
97.02892	1.6
118.06540	5.4
120.08105	2.3
130.06514	16.9
131.03377	2.4
132.08090	12.9
144.08086	100.0
146.06000	43.8
146.90741	1.5
154.04961	1.9
156.08083	23.1
168.08116	9.5
170.06007	5.4
171.09177	2.2
172.06055	8.5
182.05991	1.7
183.09172	7.6
184.07664	1.6
185.46524	1.4
188.07082	53.0
197.01654	1.4
198.09204	2.2
200.39804	1.3
210.09160	1.7
212.06969	1.7
217.09723	27.9
218.06589	6.1
229.09705	33.3
230.08150	2.9
240.10213	2.8
240.23581	1.7
243.84138	1.2
258.11258	8.9
271.10599	2.6
276.12277	8.3
303.13278	6.2
321.14578	1.7
331.12805	12.1
332.11221	11.1
349.13913	57.9
367.14954	35.7
367.19327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55625	0.7
55.05515	0.9
56.05031	0.9
69.03434	0.9
70.06592	3.8
74.00649	1.0
81.07060	4.7
83.08581	1.0
84.04507	66.6
85.02892	2.1
86.06060	4.2
87.04458	9.2
88.03994	36.6
97.02892	1.3
98.06051	10.2
102.05558	1.2
112.07710	0.8
116.07050	2.0
120.01161	3.9
120.99570	7.6
124.07518	1.0
126.05523	3.3
126.91052	1.0
128.07092	3.9
130.04999	100.0
130.20863	1.0
138.02228	6.8
138.09166	2.1
154.04993	10.1
166.08615	1.8
170.08089	1.0
171.07581	1.2
176.07007	1.9
194.08124	18.0
199.07133	3.6
200.05508	4.5
211.51868	0.9
212.09108	1.1
213.12337	1.0
217.08191	66.7
238.11076	12.0
331.11362	4.3
335.08572	1.1
349.12341	22.2
349.16147	1.3
367.13254	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1538
Annotation	Edulaan
Peak:m/z	Relative Intensity
52.73494	1.2
57.40535	1.2
60.94855	1.2
75.62186	1.4
81.03384	1.7
86.64349	1.5
92.32589	1.4
93.56760	1.5
152.28076	1.3
159.08012	2.5
160.05150	3.0
166.06221	5.8
169.06384	1.7
172.51303	1.7
175.07549	7.7
181.08553	11.6
190.06252	21.5
199.07524	6.1
205.08594	49.5
238.14450	1.5
261.09103	7.6
273.09067	2.7
275.10657	3.0
276.11505	1.8
287.10580	2.0
289.08578	9.8
290.09439	3.1
293.11667	7.1
299.04089	1.6
303.10150	6.0
304.10931	8.0
305.08057	6.2
305.11673	30.0
306.08923	2.1
320.10269	2.1
321.11200	56.7
321.14987	2.1
335.12756	8.6
336.13553	62.6
337.10724	7.9
352.13089	7.6
367.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1538
Annotation	Edulaan
Peak:m/z	Relative Intensity
58.51472	1.2
59.11813	1.5
65.83781	1.6
78.79140	1.4
80.62251	1.5
96.33540	1.5
122.27524	1.3
138.56711	1.4
160.05229	2.6
161.06001	1.5
166.06258	5.7
167.04875	1.4
175.07486	7.1
181.08505	10.7
190.06239	22.0
199.07542	7.1
205.08583	43.7
260.38226	1.6
261.09119	5.8
267.47879	2.1
275.10883	1.4
277.08673	2.8
278.09262	1.5
288.07968	2.0
289.08612	10.0
290.09338	2.6
292.10782	2.3
293.11740	5.6
303.10098	6.0
304.10913	8.4
305.08163	8.9
305.11700	33.2
306.08817	1.9
307.13278	3.5
319.09500	2.3
320.10455	2.7
321.11191	50.6
335.12796	9.2
336.13559	54.9
337.10706	9.0
352.13123	2.9
367.11353	3.6
367.15356	100.0
384.86243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1538
Annotation	Edulaan
Peak:m/z	Relative Intensity
51.20408	0.7
53.69016	0.7
55.01879	1.2
65.01143	0.6
66.35532	0.8
66.75764	0.7
67.05493	1.8
69.07077	0.9
71.08620	0.7
71.20278	0.6
76.55579	0.8
79.05528	1.0
81.07056	1.9
83.08601	1.2
89.81397	0.7
91.05473	1.1
93.00243	0.8
93.07054	1.3
94.36797	0.8
95.04947	1.1
95.08617	1.2
105.07058	1.9
107.04929	2.0
107.08584	1.2
109.10134	1.2
123.51069	0.9
131.08527	1.0
133.06482	1.3
133.10092	1.0
145.10092	1.3
149.09604	1.6
159.08028	1.5
160.05167	1.8
161.05930	1.6
162.06735	0.9
163.11179	1.3
164.04276	1.3
166.06299	6.5
167.04936	1.7
171.08055	1.0
175.07579	6.0
181.08571	13.0
190.06314	17.7
191.06999	1.0
199.07541	7.7
205.08601	45.3
261.09167	3.5
273.09158	3.8
275.10651	1.6
275.20087	6.9
276.11401	2.0
277.08670	1.4
278.09375	1.7
284.15271	0.9
289.08542	7.2
290.09375	1.1
291.10001	1.1
293.11649	4.4
293.21014	1.6
303.10120	4.4
304.10977	9.7
305.08054	5.9
305.11618	27.8
306.09171	2.4
307.13312	1.5
308.09158	1.4
309.11267	1.0
320.10321	4.8
321.11191	46.8
322.11050	1.0
334.06854	1.1
335.12863	8.7
336.13544	51.7
337.10727	6.9
339.15747	1.1
343.09467	3.0
349.23611	1.2
351.10892	7.0
352.12994	4.9
367.10391	7.7
367.15350	100.0
367.24994	7.1
367.29489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1538
Annotation	Edulaan
Peak:m/z	Relative Intensity
67.05513	2.8
70.51427	1.2
81.07049	8.2
83.08615	1.4
95.08604	6.1
109.10180	1.8
131.04953	1.3
159.08066	1.7
160.05196	2.7
161.06021	1.6
166.06216	4.4
171.08012	2.5
175.03862	1.6
175.07538	5.7
181.08565	13.3
190.06248	22.5
191.06975	1.2
199.07591	9.9
205.08585	50.0
233.09445	1.8
261.08990	1.9
273.09164	2.6
274.09769	1.3
276.11465	1.8
277.08908	1.3
289.08664	8.6
290.09467	1.5
291.10037	1.8
293.11761	5.4
303.10211	6.3
304.10956	8.6
305.08124	6.7
305.11749	27.9
306.08694	1.5
307.13361	2.9
309.11328	2.0
309.94803	1.2
320.10406	4.9
321.08383	1.2
321.11200	52.7
335.12808	11.5
336.13504	58.3
337.10788	7.7
349.31006	7.0
352.12994	4.7
367.10449	3.9
367.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74820	0.8
60.58736	0.9
73.43118	1.0
75.82973	0.8
81.28660	0.9
86.33047	0.9
87.20850	1.0
93.07034	1.3
95.08629	1.5
121.10085	1.6
145.48773	1.0
159.08095	1.7
160.05170	1.5
163.11118	1.0
166.06267	6.2
171.08032	1.0
175.07497	2.3
181.08615	16.6
190.06268	12.1
199.07545	7.9
205.08568	26.9
261.09058	1.4
275.09674	1.1
277.08490	1.7
289.08600	6.0
292.09607	34.0
293.11719	5.3
303.10107	2.3
304.10861	7.5
305.08163	4.1
305.11694	15.2
306.07587	13.4
320.05411	1.6
320.09140	44.0
321.10077	62.3
324.08728	1.1
335.12793	6.0
336.12305	100.0
337.07571	7.0
352.06787	2.3
367.09650	14.2
367.15863	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
61.51884	0.5
63.97231	0.6
67.05508	2.4
72.25003	0.6
81.07082	2.8
86.44765	0.6
91.05533	1.0
93.07076	1.2
95.08615	2.5
105.07041	0.8
107.08637	0.8
109.10155	0.6
118.07737	0.8
121.10162	0.9
121.23706	0.7
133.10170	1.1
154.12325	3.4
205.08684	2.6
275.09409	0.8
275.20242	2.6
278.08099	1.2
291.08911	1.0
292.09705	34.0
304.09720	7.8
305.11682	1.1
306.07602	12.7
320.09174	43.4
321.09946	58.6
322.96225	0.8
336.12286	100.0
337.07993	12.4
349.08569	0.9
349.23798	4.5
352.10678	4.8
367.10126	8.6
367.12677	4.4
367.16678	42.8
367.25494	3.0
374.83966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
61.51884	0.5
63.97231	0.6
67.05508	2.4
72.25003	0.6
81.07082	2.8
86.44765	0.6
91.05533	1.0
93.07076	1.2
95.08615	2.5
105.07041	0.8
107.08637	0.8
109.10155	0.6
118.07737	0.8
121.10162	0.9
121.23706	0.7
133.10170	1.1
154.12325	3.4
205.08684	2.6
275.09409	0.8
275.20242	2.6
278.08099	1.2
291.08911	1.0
292.09705	34.0
304.09720	7.8
305.11682	1.1
306.07602	12.7
320.09174	43.4
321.09946	58.6
322.96225	0.8
336.12286	100.0
337.07993	12.4
349.08569	0.9
349.23798	4.5
352.10678	4.8
367.10126	8.6
367.12677	4.4
367.16678	42.8
367.25494	3.0
374.83966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
67.05518	1.2
69.48012	0.7
79.05479	0.7
81.07085	2.8
91.05500	0.9
93.07064	2.9
95.08644	1.4
105.07069	1.1
107.08636	1.0
107.30981	0.8
109.06528	0.9
133.51462	0.8
145.10185	1.1
147.11736	0.7
181.08640	0.8
205.08672	0.8
275.09521	1.1
275.20273	3.3
278.07901	0.8
289.59814	0.8
291.09189	0.8
292.09653	41.3
304.09628	7.3
305.11420	0.9
306.07571	13.7
312.95706	0.7
320.09186	45.4
321.09933	61.7
323.07663	1.3
335.09488	0.9
336.08151	3.7
336.12283	100.0
337.08151	18.0
339.10739	1.1
349.23926	3.7
352.10709	7.3
367.10165	10.9
367.12820	6.3
367.16705	42.2
367.24860	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
61.51884	0.5
63.97231	0.6
67.05508	2.4
72.25003	0.6
81.07082	2.8
86.44765	0.6
91.05533	1.0
93.07076	1.2
95.08615	2.5
105.07041	0.8
107.08637	0.8
109.10155	0.6
118.07737	0.8
121.10162	0.9
121.23706	0.7
133.10170	1.1
154.12325	3.4
205.08684	2.6
275.09409	0.8
275.20242	2.6
278.08099	1.2
291.08911	1.0
292.09705	34.0
304.09720	7.8
305.11682	1.1
306.07602	12.7
320.09174	43.4
321.09946	58.6
322.96225	0.8
336.12286	100.0
337.07993	12.4
349.08569	0.9
349.23798	4.5
352.10678	4.8
367.10126	8.6
367.12677	4.4
367.16678	42.8
367.25494	3.0
374.83966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	15-epi-Sibiricinone D
Peak:m/z	Relative Intensity
55.01870	2.2
55.05513	6.7
55.69878	0.9
57.03437	1.9
57.07073	2.3
67.05505	10.3
69.07066	5.0
71.04978	1.4
71.08635	23.0
79.05492	12.8
81.03425	8.1
81.07063	9.0
83.04984	1.5
83.08611	3.8
85.00843	1.0
85.06489	1.1
91.05481	13.1
93.07028	11.9
95.04974	14.5
95.08621	11.6
97.06538	1.4
97.10161	2.1
99.08080	10.2
105.07017	5.9
107.04964	5.2
107.08614	6.8
109.06514	1.5
109.10154	7.2
111.78841	1.0
117.07002	4.6
119.08570	5.0
121.06523	7.4
121.10138	4.3
121.83222	1.2
123.08038	1.2
125.09676	1.3
131.08575	6.7
133.10095	5.3
135.08063	4.6
137.09599	1.4
143.08563	1.5
145.10114	4.5
147.11737	1.3
149.09644	4.3
149.13246	2.3
151.11179	100.0
157.10133	1.6
159.11687	6.2
161.09598	2.5
165.12694	1.9
172.03969	1.1
173.13252	2.2
177.12733	41.1
183.11516	1.2
189.12634	1.1
190.04982	24.4
191.05342	27.7
191.14272	4.7
193.43074	1.2
247.20546	7.9
257.19061	5.6
270.23953	1.2
275.17014	2.7
275.20050	82.6
278.07867	1.2
293.21045	13.7
307.08173	4.9
308.08997	1.7
322.10764	12.4
323.11365	2.3
336.07990	1.4
349.23761	4.4
367.10126	38.4
367.24765	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Betaenone A
Peak:m/z	Relative Intensity
54.02296	1.8
55.01884	2.3
55.05512	9.7
57.03442	29.8
62.54831	1.9
67.05502	22.7
69.07066	13.3
77.78578	2.2
79.05499	27.4
81.07065	41.6
83.08609	9.3
85.06545	8.6
91.05476	39.6
93.07033	35.8
93.75580	2.4
95.04959	4.7
95.08596	34.4
97.06539	3.2
97.10148	3.5
99.04459	3.2
105.07027	34.1
107.04943	3.9
107.08589	23.8
109.06519	8.5
109.10167	10.3
111.08048	4.7
117.07018	13.2
119.08584	37.7
121.10136	19.5
123.08123	2.9
125.09647	2.4
129.07005	4.6
131.08563	22.5
133.10149	33.0
135.08058	4.8
135.11736	8.5
135.96062	2.5
143.08588	5.3
145.10132	14.4
147.11719	15.7
149.09636	3.9
157.10083	2.7
159.11673	14.4
161.13248	4.5
163.11217	3.5
173.13266	4.9
185.13260	4.2
185.68361	2.3
201.16425	4.3
203.14355	8.6
203.17375	1.9
219.17430	99.9
275.20044	65.2
293.21036	10.1
296.16473	2.3
331.22522	2.8
349.19550	4.7
349.23660	100.0
367.09726	3.3
367.25031	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
54.73548	2.3
55.01878	3.6
55.05526	19.3
57.03450	4.6
58.85303	2.3
67.05511	33.6
69.07063	5.6
71.04977	2.4
79.05498	48.7
81.07052	29.4
83.04989	4.3
83.08627	4.4
91.05489	23.4
93.07041	47.6
95.04951	10.5
95.08594	13.0
97.10176	11.7
105.07035	32.9
105.65252	2.4
107.04968	14.0
107.08614	42.2
109.10157	17.3
113.89908	2.8
117.07005	4.5
119.08578	30.3
121.10129	28.6
123.08090	2.5
125.09640	12.1
128.92734	2.8
131.08571	17.0
133.10139	25.0
135.08069	5.0
135.11705	4.0
145.10138	13.3
147.11687	16.1
149.09622	18.2
157.10201	4.1
159.11720	11.8
173.13216	3.5
182.11017	2.9
189.11150	3.7
190.04961	4.0
214.87207	2.9
220.11650	2.8
229.19530	3.0
247.51888	2.8
257.19055	4.1
257.47128	2.7
275.20041	77.9
349.23697	100.0
352.07996	3.8
367.10165	16.0
367.25311	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
54.88614	3.3
55.01876	25.9
55.05515	38.6
55.80414	3.3
57.03437	17.7
59.05021	3.9
67.05503	86.8
69.03421	7.3
69.07057	28.8
71.08629	6.8
79.05493	47.9
81.03414	4.2
81.07062	98.6
83.04985	10.4
83.08609	32.2
91.05481	39.2
93.07043	73.9
95.04957	17.9
95.08604	67.7
97.06544	35.7
97.10153	48.8
99.08073	7.6
105.07027	53.1
107.04977	9.1
107.08601	86.1
109.06519	30.8
109.10172	40.0
111.08081	43.0
114.54543	3.8
114.69338	4.4
117.06995	26.2
117.71625	4.7
119.08567	48.5
121.10137	50.1
123.08034	16.4
123.11650	7.7
125.09630	32.0
128.37355	5.4
131.08569	43.2
133.10106	49.3
135.08093	15.4
135.11696	26.6
137.09608	9.0
141.25177	4.4
143.08582	9.9
145.10109	39.7
147.08015	5.6
147.11674	30.2
149.09627	29.6
149.13278	8.3
151.11188	7.4
157.10114	7.9
159.11670	39.5
161.09581	7.5
161.13251	10.7
163.11197	28.8
169.87520	4.9
171.10201	4.6
171.11600	5.2
173.13277	7.3
177.12701	6.7
181.08641	5.4
183.11630	5.4
187.11197	5.4
187.14851	7.2
189.11238	15.9
191.08574	4.7
205.08563	10.1
257.19031	7.9
275.20074	91.2
288.66757	4.4
293.21140	21.3
305.11719	10.6
314.24603	6.4
315.23056	31.2
319.07910	7.8
319.26746	4.5
321.11066	10.5
331.22717	9.3
332.25821	32.5
336.08621	5.0
336.13226	21.9
349.23868	100.0
349.28101	7.9
350.26828	20.5
358.16345	22.7
364.08133	10.2
367.10016	46.7
367.15182	32.0
367.24625	99.4
367.29532	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01871	4.7
55.05527	8.3
57.03448	13.1
57.07074	0.9
57.39713	0.8
61.55148	0.9
66.30807	0.9
67.05508	25.1
69.03426	1.5
69.07073	15.8
71.05025	3.5
73.83968	0.8
79.05499	18.4
81.03439	1.0
81.07060	39.1
83.04990	5.0
83.08614	7.6
85.06542	1.3
91.05486	17.8
91.06009	1.7
93.07044	27.2
95.04956	8.3
95.08607	25.6
95.09193	1.3
97.06556	7.6
97.10178	6.0
99.08060	1.3
101.06041	1.2
105.07027	18.7
107.04981	5.8
107.08592	22.8
108.08509	1.1
109.06512	9.7
109.10164	13.4
111.08070	4.2
117.07043	7.0
119.08577	21.4
121.06505	5.7
121.10132	12.9
122.35142	1.0
123.08073	5.4
123.11724	4.6
125.09666	5.4
128.15849	1.0
129.07034	1.7
131.08553	12.7
133.10135	16.1
135.08080	4.1
135.11710	9.1
137.09680	1.7
143.08586	4.1
145.10132	13.0
147.08063	1.3
147.11710	13.9
149.09651	8.9
149.13283	4.9
157.10194	1.7
159.11708	8.8
161.09604	1.1
161.13246	3.7
163.11086	7.1
165.12784	4.4
171.11729	1.6
173.13356	4.4
175.11191	1.2
177.12808	1.6
185.13266	4.2
189.11063	1.0
201.16534	1.5
203.14378	2.2
205.15942	4.2
219.17384	6.6
229.19531	1.2
239.17912	1.6
247.20593	1.6
257.18936	7.1
275.20065	48.3
293.21255	4.6
306.11081	1.3
308.09033	1.6
309.09656	1.6
311.18314	1.1
322.10748	4.1
323.11072	29.2
323.14725	1.6
324.11917	2.2
334.10660	1.4
335.11237	8.1
336.08716	1.4
336.12408	3.6
337.09048	12.7
339.10648	1.9
349.23706	34.2
350.10272	1.5
351.10547	39.7
352.07257	1.8
352.11371	34.8
366.08026	1.4
367.10101	8.4
367.13776	100.0
367.20947	10.0
367.24780	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22594	1.7
65.44896	2.1
67.05514	3.3
69.07081	3.0
80.30333	2.2
81.07065	9.5
91.05467	2.3
91.39169	1.8
93.07018	4.4
93.94692	2.0
95.08616	7.9
107.08591	2.6
109.10140	4.1
119.08562	3.3
121.10136	9.6
123.08031	2.7
131.08551	4.6
131.26337	2.4
133.10123	3.8
135.11694	2.6
137.09590	2.1
137.93542	2.4
145.10117	4.3
157.10115	2.7
161.09607	4.3
164.80356	2.4
167.04936	1.9
171.11664	3.3
175.14828	2.1
181.08708	2.2
185.13313	3.0
190.06287	2.3
205.08553	7.9
241.19510	4.4
258.22134	8.8
259.20532	10.4
269.18961	4.3
274.38770	2.2
275.16040	1.9
286.21619	18.8
287.20010	44.9
292.09641	4.8
297.18484	8.2
304.22601	8.2
305.21164	15.0
308.08981	2.6
309.07336	2.5
315.19440	22.8
320.09177	8.3
321.10461	11.3
333.20547	8.3
336.12485	24.1
337.07751	17.8
350.23233	100.0
351.09885	2.5
352.10135	4.4
367.10361	26.5
367.16019	11.5
367.25888	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11752	7.1
50.49109	7.6
55.05519	24.0
55.37984	8.5
57.07082	12.1
59.21022	7.6
62.16988	8.8
63.35225	7.4
65.62428	7.2
67.05527	33.1
69.07065	23.8
71.28149	8.0
79.05500	20.1
81.07054	66.0
91.05461	22.1
93.07040	89.9
95.04980	23.5
95.08602	79.7
97.55067	9.8
105.07056	77.7
107.08591	65.7
109.10161	61.1
117.07034	11.5
119.08559	83.7
119.31818	9.0
121.10159	74.7
128.09778	11.6
131.08582	64.3
133.10104	100.0
135.08078	15.3
135.11752	13.4
142.07791	13.5
143.08614	21.8
145.10146	77.1
147.11688	40.7
149.09642	22.0
149.13287	9.7
152.30394	10.0
155.08633	10.7
156.09337	9.8
157.10109	41.2
159.11671	41.9
161.09593	24.0
169.10117	17.3
171.11758	37.9
173.13237	12.4
175.14819	17.1
183.11702	22.4
185.13251	18.6
195.11681	10.3
197.13246	40.9
199.14789	9.6
205.17969	9.6
209.13287	14.0
210.13931	10.3
227.14305	14.3
239.17879	11.5
254.44991	10.8
312.25061	11.5
349.13388	10.5
367.09821	18.4
367.26010	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.284
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.68357	2.4
55.05505	6.8
57.07072	4.8
67.05495	6.8
69.07087	19.6
71.08631	19.7
73.63063	2.7
79.11391	2.3
79.28961	2.8
81.07047	23.6
83.08637	5.5
93.07032	12.6
95.08602	18.2
97.10166	4.5
97.66555	2.9
99.08101	6.2
105.07018	4.8
106.05037	5.4
107.08598	14.3
109.06481	6.2
109.10171	5.3
111.08060	3.7
119.08614	4.2
121.10142	5.4
123.08087	25.1
123.11686	4.3
133.10133	12.1
135.08057	6.3
139.05717	2.5
149.13147	4.4
151.11232	3.6
153.12746	11.8
161.13242	5.0
164.24454	3.1
179.14268	42.7
193.15831	3.1
198.47162	3.0
221.15361	49.2
227.39674	2.7
228.76897	2.9
251.19917	11.1
293.21075	12.7
303.26794	5.7
321.27826	3.3
331.26328	39.6
349.23709	6.9
349.27362	100.0
367.10046	5.2
367.28540	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2843
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.05519	6.0
67.05511	7.8
69.07069	22.3
71.08623	18.3
75.36238	2.9
78.92670	3.2
81.07067	23.4
83.08607	3.4
93.07043	6.7
94.23775	2.8
95.08610	21.5
97.06516	6.2
97.10176	5.5
99.08100	12.3
105.06997	3.9
107.08575	6.6
109.10164	6.8
109.22544	3.6
121.10135	3.9
121.30181	3.3
123.08080	21.3
133.10144	7.8
135.08113	5.5
135.11710	5.4
147.11668	5.1
149.18652	3.2
151.11160	5.6
153.12770	13.7
161.13304	3.5
179.14293	39.6
228.73656	3.4
251.20119	12.2
274.95645	3.1
293.21143	12.8
303.26810	6.5
321.27936	4.2
331.26227	39.7
349.27356	100.0
367.09418	3.6
367.24460	4.9
367.28580	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2841
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.28630	2.2
55.05516	4.6
57.03428	2.1
57.07061	4.7
66.52438	2.3
67.05509	15.6
69.03422	3.1
69.07063	18.0
71.08644	24.0
79.05486	4.3
81.07053	23.2
83.08615	13.9
83.80632	3.1
91.05482	3.7
93.07043	14.5
95.08614	26.2
97.06535	5.0
99.08087	20.3
105.07010	6.1
107.08607	13.3
109.06558	21.1
109.10162	13.7
111.08131	2.6
119.08567	15.4
121.06547	4.2
121.10139	5.3
123.11737	4.7
131.08527	3.7
133.10135	5.4
135.08081	3.5
135.11697	6.0
135.71323	2.4
135.91933	2.8
139.11147	4.5
145.10155	4.2
147.11674	4.8
149.09637	3.7
151.11139	2.9
153.12880	2.4
161.13283	4.7
163.11169	4.5
165.12752	53.7
177.12773	4.9
190.06267	5.6
194.12639	15.6
195.12823	5.4
199.07501	3.6
205.08643	16.6
209.18971	10.9
237.18555	3.1
289.25241	17.0
305.11716	5.7
307.26407	3.6
317.24771	76.1
321.11163	20.2
335.25806	17.4
336.13409	18.5
349.27243	100.0
367.15369	30.1
367.27679	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55546	2.4
55.05508	20.6
56.54476	2.3
57.03426	5.2
57.07063	3.7
67.05509	43.9
69.07075	26.0
71.04993	4.1
71.08597	3.5
79.05491	33.2
81.07063	82.7
83.04990	11.9
83.08620	12.5
85.06532	4.5
91.05494	25.7
93.07049	50.7
95.04980	12.6
95.08611	51.8
97.06531	6.6
97.10149	17.2
99.08076	3.8
105.07034	43.9
107.04961	18.6
107.08606	47.0
109.06527	18.2
109.10134	28.5
111.08098	12.0
115.82784	3.0
117.06989	10.6
119.08582	31.2
121.06496	4.1
121.10172	30.5
123.08077	5.2
123.11631	3.6
125.09631	12.4
126.27702	2.7
129.06978	3.2
131.08560	27.1
133.10126	27.9
135.08002	6.5
135.11650	27.1
137.09569	5.5
143.08504	4.5
145.10121	31.0
147.11667	26.2
149.09616	18.7
149.13252	6.6
154.12337	3.1
157.10173	13.0
159.11705	19.9
161.09682	4.4
161.13261	12.1
163.11171	6.9
171.11668	15.2
173.13255	19.2
175.11176	6.3
185.13248	6.0
187.14697	3.9
189.11275	3.6
191.88773	3.5
195.08037	3.5
196.16966	37.4
199.14847	5.5
203.14256	7.3
208.23514	3.3
211.13091	3.3
213.19632	5.0
219.17377	3.4
221.15132	3.0
225.91528	3.2
257.19055	13.3
275.20020	44.2
293.21082	14.6
297.22125	12.4
314.24722	14.3
315.23242	25.8
332.25781	34.7
333.24377	22.5
336.12274	4.1
349.23862	51.5
350.26749	28.9
367.10046	14.8
367.24384	44.2
367.29495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.2
61.84293	3.3
64.60636	3.4
67.05517	33.9
69.07077	8.6
79.05488	19.8
81.07052	39.4
81.79282	3.1
83.04977	6.5
83.08604	7.9
91.05483	8.0
93.07012	28.4
95.08613	39.4
97.06541	4.6
105.07039	19.1
107.08603	36.0
109.10161	19.5
111.08046	5.3
117.06997	5.9
119.08597	18.8
121.10143	35.6
123.11681	6.6
125.67074	3.6
130.47475	3.4
131.00154	5.0
131.08553	20.1
133.10155	8.7
135.11691	24.6
137.09625	4.5
145.10123	17.7
147.11674	17.0
149.09605	8.0
156.46214	3.4
157.10095	6.2
159.11717	19.7
161.09604	4.9
161.13292	6.7
171.11667	5.2
173.13271	3.9
175.11130	4.8
185.13159	4.9
218.84306	3.9
275.20023	8.4
287.23694	5.1
297.22287	7.4
304.26489	5.4
314.24786	7.1
315.23242	41.8
319.07870	5.1
323.07547	7.5
326.14017	5.7
328.08057	5.1
332.25769	40.7
333.24197	8.5
335.47003	4.9
336.12384	6.2
337.05447	6.1
337.09113	4.8
339.10605	6.5
344.15234	9.0
349.23459	5.7
350.26834	20.8
352.07803	23.7
356.07678	5.5
358.16544	15.6
367.06152	12.6
367.10086	100.0
367.24582	47.2
367.29489	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03946	1.6
55.05507	3.8
57.07065	1.6
58.70835	1.5
60.04522	1.9
61.41566	1.5
67.05514	9.4
68.40641	1.6
69.07070	11.9
70.06590	8.8
71.08653	1.7
71.48123	1.8
75.09689	1.8
79.05467	2.1
81.07077	15.2
83.08635	6.8
93.07046	10.2
95.08624	16.2
97.10153	3.3
105.07049	2.4
106.08086	2.2
107.08575	4.2
109.06499	2.0
109.10182	7.6
111.11749	1.9
120.68157	1.9
121.10160	8.4
128.37770	1.8
135.11714	4.0
147.11740	2.3
207.85963	2.1
208.16978	3.8
222.18555	8.5
236.19958	2.4
274.96402	2.2
308.29532	2.7
332.29553	10.2
333.27856	2.7
349.32196	14.1
350.26913	4.2
350.30701	4.5
367.10007	2.6
367.29721	4.7
367.33258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94531	1.8
52.31333	2.0
55.05521	3.9
56.01864	1.7
56.72116	2.2
57.07081	2.2
60.04513	2.8
67.05500	9.0
69.07066	10.1
71.08640	4.2
76.52081	2.1
76.92883	1.8
79.05521	2.2
81.07053	14.5
83.08618	10.8
89.29937	2.1
93.13779	2.1
95.08615	15.9
97.10146	4.3
107.08582	4.4
109.10151	12.2
116.65309	2.6
119.08624	4.3
133.10065	2.4
156.17398	4.7
161.13316	2.5
168.13838	4.6
188.82335	2.1
213.16020	2.7
232.45094	3.0
275.20004	2.6
291.26889	2.7
307.31207	4.4
308.29529	32.2
325.32175	34.8
329.91583	2.4
367.33215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88895	1.1
55.05525	8.7
57.07085	2.9
57.87589	1.5
61.52131	1.5
67.05508	38.0
69.07062	16.5
71.08630	1.8
79.05493	15.7
81.07062	47.4
83.08638	17.8
91.05469	9.3
93.07044	33.6
95.08010	2.2
95.08606	47.5
95.73069	1.7
97.06521	1.8
97.10163	9.3
105.07016	6.8
107.08611	23.7
109.10144	25.6
111.08097	3.1
111.19348	1.5
113.67378	1.5
119.08582	10.2
121.10139	43.1
123.08096	3.7
123.11706	13.4
133.10121	10.3
135.08167	1.7
135.11703	35.9
135.90817	2.0
137.09581	2.8
138.76668	1.4
145.10147	2.9
147.11717	8.1
149.13264	11.6
161.13235	3.6
163.14876	1.6
175.14798	2.1
177.16570	1.7
195.45055	1.8
219.17647	1.9
273.81915	1.7
315.26733	7.3
332.29410	2.4
333.27823	26.6
341.41254	1.7
350.30527	100.0
353.99530	1.6
367.14383	1.8
367.24200	2.1
367.33215	61.7
388.47858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88895	1.1
55.05525	8.7
57.07085	2.9
57.87589	1.5
61.52131	1.5
67.05508	38.0
69.07062	16.5
71.08630	1.8
79.05493	15.7
81.07062	47.4
83.08638	17.8
91.05469	9.3
93.07044	33.6
95.08010	2.2
95.08606	47.5
95.73069	1.7
97.06521	1.8
97.10163	9.3
105.07016	6.8
107.08611	23.7
109.10144	25.6
111.08097	3.1
111.19348	1.5
113.67378	1.5
119.08582	10.2
121.10139	43.1
123.08096	3.7
123.11706	13.4
133.10121	10.3
135.08167	1.7
135.11703	35.9
135.90817	2.0
137.09581	2.8
138.76668	1.4
145.10147	2.9
147.11717	8.1
149.13264	11.6
161.13235	3.6
163.14876	1.6
175.14798	2.1
177.16570	1.7
195.45055	1.8
219.17647	1.9
273.81915	1.7
315.26733	7.3
332.29410	2.4
333.27823	26.6
341.41254	1.7
350.30527	100.0
353.99530	1.6
367.14383	1.8
367.24200	2.1
367.33215	61.7
388.47858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.9
57.07072	3.7
58.22536	0.6
60.04538	7.5
62.85398	0.6
64.29400	0.7
67.05509	6.5
69.07072	15.0
71.08627	3.0
79.05496	1.4
81.06609	1.2
81.07057	13.8
83.08624	13.5
86.06082	3.3
91.05454	1.2
93.07042	7.0
95.05009	0.8
95.08604	15.4
97.06519	1.1
97.10177	9.1
99.45631	0.8
100.07584	1.5
105.07037	3.1
107.08604	5.3
109.10149	10.7
111.08078	3.1
111.11704	1.7
114.09136	1.5
114.12822	4.9
119.08577	4.3
121.06429	1.4
121.10165	6.5
123.11700	4.6
125.09641	1.4
128.14339	3.2
131.08542	1.3
133.10136	4.9
135.08104	0.8
135.11679	1.3
137.09627	1.3
137.13281	1.6
139.11206	1.1
145.10101	1.2
147.11647	1.8
149.13309	1.4
161.13266	1.9
173.99994	0.9
175.14835	1.9
191.18022	0.9
196.16998	3.7
210.18549	3.9
244.64445	0.8
273.25839	1.1
282.72714	0.8
291.26755	4.3
307.31085	5.9
308.29507	28.1
325.32120	30.6
329.14737	0.8
367.10049	4.5
367.33203	100.0
370.62122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
55.27695	0.2
57.07080	3.1
60.04233	0.3
60.04528	4.9
64.20603	0.2
67.05508	4.8
69.07071	9.9
70.06607	0.3
71.08628	1.8
72.08144	0.3
79.05482	1.4
81.07056	10.7
83.05012	0.4
83.08620	10.0
84.08146	0.4
85.06531	0.5
85.10189	0.6
86.06063	1.7
86.06566	0.3
90.72889	0.2
91.05476	1.2
93.07047	2.9
95.08607	11.4
97.06519	1.5
97.09583	0.4
97.10164	7.5
99.08109	0.5
100.07637	1.3
102.64321	0.3
105.07031	1.7
107.08607	2.2
109.10155	7.0
111.08069	1.1
111.11720	2.9
114.09140	1.9
119.08576	1.7
121.10136	3.1
123.08042	0.4
123.11714	3.5
125.09643	1.2
125.95190	0.3
126.09093	0.3
128.10754	1.1
128.14328	0.3
133.10097	3.5
135.11679	1.8
137.09674	0.9
137.13249	1.3
139.11154	1.1
140.49283	0.3
142.12318	0.5
142.15915	7.5
147.11685	2.3
149.13251	1.0
151.11211	0.4
151.14790	0.5
154.12306	0.3
155.41678	0.2
156.13809	0.4
156.17497	0.3
158.53662	0.3
161.13258	2.3
163.14799	0.4
165.12749	0.6
168.13837	0.6
169.35976	0.3
170.15372	0.4
175.14838	0.6
177.16393	0.6
179.14310	0.4
182.15376	6.8
184.16853	0.3
189.16281	0.3
196.16895	0.3
199.17897	0.4
203.17946	0.4
207.20993	0.3
221.19118	0.3
224.16504	1.1
258.06339	0.3
273.25671	1.9
291.26822	3.3
307.31058	7.2
308.29459	32.3
312.14264	0.3
325.32111	34.5
350.30582	1.2
351.13379	0.4
367.33176	100.0
374.99142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99016	3.6
51.17044	3.7
55.05518	4.6
55.98486	4.6
57.93103	4.1
67.05504	5.2
69.07062	10.7
81.07080	17.4
83.08621	9.2
85.07710	4.5
86.06071	88.5
92.21577	4.4
95.08609	20.3
97.10166	6.6
109.10140	19.5
121.10158	5.0
133.10155	5.4
135.11636	4.7
161.56886	5.1
193.78163	4.5
204.89317	4.7
209.50681	5.0
308.29465	28.1
325.32083	31.2
367.10358	5.5
367.33374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35001	1.4
55.05514	3.2
56.19447	1.5
57.07079	4.1
57.66095	1.5
58.49672	1.4
60.04534	2.9
67.05509	14.1
69.07079	13.6
69.07409	1.3
70.06590	9.4
71.08642	3.6
72.69671	1.6
79.05495	2.6
79.14391	1.5
81.07058	22.5
83.08614	7.1
84.04507	1.7
93.07030	10.7
95.04971	2.4
95.08600	21.2
97.06493	1.7
97.10168	4.1
100.07629	2.5
105.07033	6.8
107.08570	7.4
108.02351	1.7
109.10146	11.6
119.08561	3.7
121.10137	7.0
123.11752	2.3
133.10144	3.4
135.11707	7.7
140.14377	2.4
147.11674	3.3
149.13226	2.7
208.17010	4.1
236.20135	7.0
253.22859	1.9
308.29575	6.1
332.29382	15.1
333.27823	6.9
349.32104	16.2
350.26831	7.6
350.30643	6.6
367.10031	3.9
367.33200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20488	1.0
72.82264	1.4
89.22024	1.2
116.71957	1.1
132.72539	1.2
172.03946	5.8
186.74461	1.2
190.04996	86.1
215.10378	1.3
218.04526	13.1
220.22791	1.0
258.90359	1.4
279.05322	4.0
306.07513	2.1
307.04697	33.1
316.10318	1.3
319.12619	1.4
322.07043	5.8
322.10721	2.3
335.04099	16.5
336.12112	9.6
337.12958	5.3
348.58768	1.3
350.06586	100.0
368.07611	58.0
368.14841	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52630	0.6
60.27496	0.7
69.19271	0.6
82.43266	0.7
92.87438	0.8
116.04951	1.0
128.55350	0.7
144.04462	3.5
147.04431	4.4
149.02327	13.0
156.13397	0.7
174.05501	29.4
187.47269	0.7
190.04967	1.5
248.07039	4.3
249.05496	1.3
264.06610	3.3
266.07990	1.2
276.06558	71.5
277.04990	1.8
278.08112	1.2
280.06131	5.1
292.06049	4.3
292.09256	0.7
293.06879	1.6
294.07568	3.1
304.06314	1.0
305.10580	0.7
306.07648	4.6
310.07330	0.7
310.31674	0.6
320.05643	5.9
320.08890	0.8
322.07120	21.2
322.10712	2.8
323.07928	1.5
323.11731	0.9
336.12244	7.9
337.13052	2.7
338.06345	1.1
350.06577	65.8
368.07654	100.0
368.14658	17.3
387.18692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0763
Annotation	Ekatetron
Peak:m/z	Relative Intensity
55.52630	0.6
60.27496	0.7
69.19271	0.6
82.43266	0.7
92.87438	0.8
116.04951	1.0
128.55350	0.7
144.04462	3.5
147.04431	4.4
149.02327	13.0
156.13397	0.7
174.05501	29.4
187.47269	0.7
190.04967	1.5
248.07039	4.3
249.05496	1.3
264.06610	3.3
266.07990	1.2
276.06558	71.5
277.04990	1.8
278.08112	1.2
280.06131	5.1
292.06049	4.3
292.09256	0.7
293.06879	1.6
294.07568	3.1
304.06314	1.0
305.10580	0.7
306.07648	4.6
310.07330	0.7
310.31674	0.6
320.05643	5.9
320.08890	0.8
322.07120	21.2
322.10712	2.8
323.07928	1.5
323.11731	0.9
336.12244	7.9
337.13052	2.7
338.06345	1.1
350.06577	65.8
368.07654	100.0
368.14658	17.3
387.18692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0764
Annotation	Ekatetron
Peak:m/z	Relative Intensity
63.20488	1.0
72.82264	1.4
89.22024	1.2
116.71957	1.1
132.72539	1.2
172.03946	5.8
186.74461	1.2
190.04996	86.1
215.10378	1.3
218.04526	13.1
220.22791	1.0
258.90359	1.4
279.05322	4.0
306.07513	2.1
307.04697	33.1
316.10318	1.3
319.12619	1.4
322.07043	5.8
322.10721	2.3
335.04099	16.5
336.12112	9.6
337.12958	5.3
348.58768	1.3
350.06586	100.0
368.07611	58.0
368.14841	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0762
Annotation	Ekatetron
Peak:m/z	Relative Intensity
52.72770	0.6
53.59988	0.8
54.22207	0.8
55.05509	1.0
58.41885	0.8
61.68159	0.7
69.07048	0.8
70.80391	0.7
71.08114	0.7
71.08640	1.0
75.12088	0.6
81.07067	1.4
89.95221	0.8
91.05491	4.4
107.08665	0.9
110.20351	1.0
119.04956	6.5
138.25639	0.8
144.04407	0.7
147.04399	1.0
149.02367	6.0
149.05093	1.2
149.05978	32.9
160.03999	1.1
174.05482	14.4
175.03960	1.1
177.01822	10.6
177.05446	1.2
189.60124	0.8
190.05025	1.3
239.90182	0.9
248.06943	0.9
259.06357	1.0
264.06467	1.3
276.06558	18.9
276.20404	2.0
278.07971	0.8
280.06299	1.4
292.06042	3.8
294.21326	2.0
306.07516	1.5
320.05627	3.5
322.07095	31.2
338.10233	1.0
340.08139	6.8
350.06601	40.0
350.24005	0.9
368.07614	100.0
368.15128	3.3
368.25153	7.3
368.29126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49383	0.4
59.72546	0.3
62.35229	0.2
64.92954	0.3
65.03944	0.5
67.05489	0.3
91.05485	0.6
108.05717	0.4
123.08048	1.8
136.05200	2.8
149.02350	0.6
149.05965	0.5
151.07516	0.7
160.12096	0.4
162.75766	0.3
164.04662	0.7
174.05450	0.6
175.03911	0.4
176.03404	0.7
177.01830	100.0
179.07024	24.1
255.92950	0.3
284.81332	0.3
294.21271	0.4
320.05487	0.5
322.07092	1.4
337.12991	0.4
338.10144	4.2
350.06424	0.8
350.10226	0.6
353.12662	1.8
367.07837	0.4
368.07599	14.0
368.11331	8.0
368.15054	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49870	0.1
65.03948	0.8
68.66470	0.2
72.95356	0.2
121.02872	0.2
149.02393	0.4
149.56773	0.2
149.87462	0.2
175.03926	1.5
176.03418	1.1
177.01830	100.0
193.04935	0.4
324.12210	0.4
335.11179	0.3
338.10211	11.4
353.12540	6.2
368.07632	15.2
368.14926	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0763
Annotation	Ekatetron
Peak:m/z	Relative Intensity
51.60706	0.9
52.01410	0.9
57.83407	1.2
62.69365	1.1
64.44173	1.0
72.81827	1.0
91.05481	4.7
119.04969	4.8
137.05969	1.7
139.97778	1.1
144.04430	1.2
149.02364	7.9
149.04878	1.7
149.05983	31.4
174.05516	14.0
177.01814	8.5
276.06589	18.7
290.07983	1.4
292.06049	4.3
293.10022	2.4
294.07516	1.5
294.88171	1.1
306.07489	1.4
307.08264	1.5
310.07227	1.8
320.05536	4.7
321.09686	2.2
322.07153	33.8
322.10681	4.8
323.07617	1.5
324.08548	4.5
334.06992	1.3
336.08685	2.1
336.12335	2.2
337.12885	7.0
338.06543	2.2
340.08054	7.9
340.11798	3.0
350.06558	40.0
350.10205	2.1
352.08151	6.7
353.08905	9.0
368.07596	100.0
368.11450	26.2
368.15350	7.7
368.24420	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0764
Annotation	Ekatetron
Peak:m/z	Relative Intensity
57.92688	0.9
62.17168	0.9
75.51066	1.0
91.05465	6.5
119.04929	7.5
131.60025	1.0
144.04449	1.1
147.04343	1.3
149.02324	6.3
149.05989	33.0
155.48463	1.0
174.05525	12.1
177.01871	7.4
177.03194	1.1
177.05449	1.9
181.08527	1.4
182.08934	1.5
190.04945	1.4
205.08488	2.0
206.08911	1.4
267.47269	1.0
276.06610	15.2
292.05991	3.9
294.07642	1.6
304.06271	1.2
305.11407	1.9
305.14639	1.1
306.07681	1.4
306.11777	2.2
311.78119	1.3
320.05655	1.7
321.10645	1.7
322.07071	34.7
322.11209	6.8
337.13867	6.1
340.08096	6.6
350.02631	1.7
350.06625	36.1
350.10370	2.9
368.07599	100.0
368.10898	5.9
368.15402	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91668	1.0
67.05515	1.3
95.00607	1.1
141.24571	1.2
147.04385	2.2
148.53883	1.2
149.02310	5.3
149.05988	6.5
174.05518	14.3
175.03926	11.2
176.07079	1.4
177.01863	1.3
179.03387	100.0
190.04961	18.9
263.39688	1.5
276.06592	6.0
292.05939	6.4
306.07843	1.3
310.03391	1.6
310.07080	1.8
320.05545	49.6
320.08987	2.4
322.07043	6.8
322.10565	2.5
324.04959	2.6
327.71832	1.3
335.04156	23.3
335.07867	44.6
336.12436	2.3
337.12845	4.6
338.02896	22.3
338.06589	8.1
340.08105	7.1
340.11902	2.4
350.06516	8.0
350.10297	11.8
351.05103	1.6
353.05240	34.5
353.08978	9.0
367.08185	8.0
368.07565	56.5
368.11307	50.1
368.15036	4.2
368.16241	1.3
368.24280	1.8
379.07950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21412	0.4
51.17626	0.4
56.81026	0.4
69.03423	1.7
70.06583	0.8
70.67683	0.5
79.52044	0.5
81.03381	0.5
81.39927	0.5
85.02902	4.6
97.02873	2.1
121.03974	2.0
121.06486	3.5
127.03909	0.8
132.04436	0.8
145.04909	0.5
171.06595	0.5
178.04982	33.2
189.05406	0.6
206.04478	100.0
224.65152	0.5
236.07828	3.7
236.11334	0.8
368.09763	3.1
368.17334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62705	0.3
56.09822	0.2
61.02937	0.4
61.80407	0.2
69.03423	1.8
72.38228	0.3
81.03416	1.2
84.66202	0.3
85.02910	4.7
87.04456	0.3
91.03947	0.3
97.02874	1.6
99.04485	0.5
102.09817	0.3
104.03101	0.3
109.02820	0.5
112.83057	0.3
123.48567	0.3
127.03938	1.4
129.53720	0.3
129.73862	0.3
132.04439	0.4
144.14569	0.3
145.04958	1.2
153.09247	0.3
178.04982	34.7
197.67165	0.3
198.58867	0.3
206.04486	100.0
368.10126	2.5
392.55359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
61.02945	0.6
62.68147	0.3
69.03419	1.5
81.03427	0.4
85.02900	5.8
87.04457	0.7
91.03932	0.4
97.02883	1.8
99.04446	0.5
109.02859	0.7
111.17213	0.3
125.46404	0.3
127.03913	0.8
132.04482	0.5
132.16254	0.4
145.04929	0.6
147.04408	0.6
149.05971	1.4
157.86505	0.3
160.03876	0.4
161.05963	0.5
164.07040	0.4
175.03876	0.8
175.07486	0.4
178.04979	33.9
206.04478	100.0
207.06511	0.6
210.38353	0.3
230.10016	0.3
241.12189	0.4
249.09619	0.4
260.75439	0.3
272.11017	0.4
327.07248	0.4
336.12659	0.8
365.03656	0.4
368.09988	2.6
368.14084	0.5
368.20813	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47304	0.3
53.03333	0.2
54.01742	0.3
59.75945	0.4
63.68551	0.3
69.03419	2.2
81.03445	0.6
83.87946	0.3
85.02925	5.6
97.02879	2.1
99.04445	0.4
103.12450	0.3
107.04945	0.4
109.02895	0.4
121.06473	0.6
127.03901	1.5
132.04474	0.5
142.13583	0.3
145.04942	0.6
171.06705	0.4
174.17198	0.4
178.04982	33.4
206.04485	100.0
213.89349	0.3
220.24959	0.3
261.09979	0.6
266.21362	0.4
320.37604	0.4
368.09637	3.1
368.13568	0.4
368.20633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	0.3
59.66087	0.2
62.28899	0.2
63.76170	0.2
69.03393	0.2
69.46210	0.2
81.03401	0.4
85.02886	0.2
87.04423	0.3
91.05422	0.2
93.07027	0.4
97.02843	0.4
99.04414	1.1
121.06499	12.2
128.07025	0.3
148.03951	1.7
176.03387	1.2
178.04948	0.5
180.72789	0.3
188.03326	0.4
206.04471	100.0
218.06694	0.3
236.07663	0.3
248.11269	1.3
249.45056	0.2
350.12323	0.2
368.09760	8.2
368.17142	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18642	0.2
57.03460	0.2
57.03748	0.2
61.02930	1.0
63.00217	0.2
65.96846	0.2
66.73512	0.2
69.03434	2.1
71.04969	0.2
71.47080	0.2
72.99066	0.2
74.52428	0.2
81.03429	0.5
85.02910	5.3
85.47808	0.3
87.04457	0.2
97.02897	1.8
99.04439	0.5
99.56560	0.2
109.02850	0.5
121.06513	0.5
127.03899	0.6
132.04457	1.3
145.04987	0.5
177.36192	0.2
178.04985	35.1
206.04482	100.0
368.09717	3.0
368.17230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.4
61.02925	0.5
69.03426	1.1
73.02914	0.4
81.03411	0.8
85.02905	5.1
97.02884	2.2
99.04436	0.8
109.02887	0.6
111.89332	0.5
132.04489	0.4
136.06175	0.4
174.35838	0.4
178.04987	34.6
187.03233	0.5
206.04480	100.0
307.08417	0.7
324.08429	1.8
335.07932	3.9
347.36548	0.5
353.08954	7.0
368.11270	9.7
368.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
61.02945	0.6
62.68147	0.3
69.03419	1.5
81.03427	0.4
85.02900	5.8
87.04457	0.7
91.03932	0.4
97.02883	1.8
99.04446	0.5
109.02859	0.7
111.17213	0.3
125.46404	0.3
127.03913	0.8
132.04482	0.5
132.16254	0.4
145.04929	0.6
147.04408	0.6
149.05971	1.4
157.86505	0.3
160.03876	0.4
161.05963	0.5
164.07040	0.4
175.03876	0.8
175.07486	0.4
178.04979	33.9
206.04478	100.0
207.06511	0.6
210.38353	0.3
230.10016	0.3
241.12189	0.4
249.09619	0.4
260.75439	0.3
272.11017	0.4
327.07248	0.4
336.12659	0.8
365.03656	0.4
368.09988	2.6
368.14084	0.5
368.20813	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
52.48304	0.4
57.82884	0.4
68.17540	0.5
82.83632	0.5
85.60416	0.4
95.44501	0.5
104.03905	0.4
127.35236	0.5
132.35706	0.6
139.41574	0.5
141.06122	0.5
164.00914	0.5
264.06259	0.6
264.10199	0.6
266.08130	0.5
277.07401	2.3
278.08054	7.0
289.07254	4.4
292.06042	6.9
294.07526	1.1
295.08295	1.2
306.07614	30.2
307.05212	0.7
307.08426	12.0
307.11703	0.6
310.10736	5.5
318.07761	0.7
320.05392	0.9
321.06226	0.7
321.09961	28.0
322.07382	2.8
322.10727	51.0
324.08609	4.7
324.12286	2.1
334.07147	3.4
335.07794	3.2
336.08621	2.4
336.12289	1.1
337.09320	1.0
338.06488	1.0
338.10178	1.0
350.10229	5.8
352.08023	4.5
352.11789	4.2
353.08844	6.2
353.12598	3.8
368.11203	100.0
368.15042	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Iwamide
Peak:m/z	Relative Intensity
77.75707	1.0
80.52452	1.1
83.92703	1.1
91.85818	1.1
132.88861	1.2
148.45300	1.1
151.07532	1.4
212.68469	1.3
246.49648	1.3
270.53961	1.2
279.08701	1.5
281.96835	1.5
282.07532	1.4
284.05664	1.7
292.09790	2.2
294.11017	1.5
296.09106	18.8
297.09921	4.9
304.56128	1.2
307.08478	1.4
307.12115	4.9
307.92874	1.3
308.12842	1.3
310.07147	9.7
310.10550	2.2
311.11496	1.9
320.05600	2.0
320.08997	9.7
321.10052	2.1
322.07263	1.6
322.10831	2.3
323.11438	9.8
324.08652	7.2
324.12360	12.9
325.09464	42.7
335.07907	2.0
335.11575	6.4
336.09024	1.6
336.12311	37.4
337.12881	5.9
338.06531	9.6
338.10263	13.9
340.11771	84.9
340.24500	1.3
352.11771	13.0
353.08728	10.3
353.12851	9.8
368.07538	5.8
368.11206	100.0
368.15030	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73792	0.3
63.93892	0.3
65.52048	0.3
69.03752	0.3
83.46342	0.4
232.16234	0.4
294.07516	1.6
301.38556	0.4
307.08484	0.6
308.05878	0.4
308.09164	11.4
310.10535	1.7
321.09668	0.7
322.10785	2.2
323.11771	0.5
324.08777	0.7
324.12314	11.0
336.08752	0.6
336.12305	2.2
338.10184	5.2
340.11920	0.4
352.11798	14.0
353.08832	1.1
353.12564	10.3
368.11224	100.0
368.15085	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1125
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
61.53440	0.4
69.92955	0.3
79.95744	0.4
83.80994	0.3
87.28165	0.3
89.76799	0.3
110.42860	0.4
122.97879	0.4
132.90077	0.4
138.69072	0.4
149.05917	0.4
266.08215	0.6
277.07269	2.5
278.08093	4.8
289.07364	5.9
291.08676	0.6
292.06064	5.9
295.08298	1.6
304.05762	0.5
306.07605	31.2
307.05142	0.7
307.08392	12.8
309.10175	0.4
310.10782	4.5
320.05298	1.3
321.09952	27.6
322.07248	3.4
322.10715	50.2
324.08609	4.4
324.12134	0.9
325.13510	0.4
334.07288	3.4
335.07913	3.9
336.08557	0.8
336.12207	0.6
337.09375	0.7
338.06549	2.2
350.10260	5.5
352.08112	5.0
352.11572	3.9
353.08896	7.1
353.12671	1.1
368.11185	100.0
368.15039	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Yagonin
Peak:m/z	Relative Intensity
51.73792	0.3
63.93892	0.3
65.52048	0.3
69.03752	0.3
83.46342	0.4
232.16234	0.4
294.07516	1.6
301.38556	0.4
307.08484	0.6
308.05878	0.4
308.09164	11.4
310.10535	1.7
321.09668	0.7
322.10785	2.2
323.11771	0.5
324.08777	0.7
324.12314	11.0
336.08752	0.6
336.12305	2.2
338.10184	5.2
340.11920	0.4
352.11798	14.0
353.08832	1.1
353.12564	10.3
368.11224	100.0
368.15085	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30073	0.4
60.02399	0.5
67.39297	0.4
77.59274	0.5
278.08102	1.1
280.09656	0.5
282.05917	0.6
294.07663	0.9
307.12033	1.1
308.09149	11.6
310.10559	2.3
322.10773	2.8
323.11584	0.9
324.12338	14.0
336.08643	1.0
336.12354	4.9
338.10214	6.7
340.11676	0.6
352.11740	20.9
353.08505	1.2
353.12546	17.3
368.11200	100.0
368.15057	44.6
381.55243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1118
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
53.10400	0.7
55.73952	0.9
57.73771	0.9
59.41083	0.7
66.41895	0.7
70.79702	0.7
80.16730	0.9
81.82819	0.8
82.92546	0.8
93.44068	0.9
105.72166	0.8
112.38376	0.8
135.04433	1.8
149.05969	8.1
250.08710	1.0
250.60684	1.1
264.10211	1.1
266.08127	1.1
277.07281	1.1
278.08093	5.7
280.09732	1.8
289.07422	3.4
292.06100	3.8
292.09497	1.6
294.07513	1.8
306.07620	23.0
307.08441	11.2
308.09238	3.6
309.10153	1.2
310.10669	8.8
320.09143	1.4
321.09955	19.4
322.07047	7.6
322.10635	47.2
324.08582	3.4
324.12314	4.2
334.07022	3.6
335.07913	1.9
337.09406	1.7
350.10236	10.1
352.08026	3.9
352.11755	18.5
353.08798	6.0
353.12616	3.8
368.11148	93.8
368.14984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
77.74464	0.6
85.98844	0.5
88.00838	0.5
89.40579	0.6
116.97221	0.6
129.97017	0.6
133.27853	0.6
254.50671	0.7
278.08002	0.8
294.07510	1.1
307.11862	0.6
308.09177	12.8
310.10742	2.7
322.10583	0.9
323.11630	0.8
324.08545	0.7
324.12259	16.1
336.12149	4.9
338.10239	10.2
352.07596	0.8
352.11728	22.9
352.15778	1.1
353.09042	0.8
353.12589	16.4
368.11191	100.0
368.15045	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Yagonin
Peak:m/z	Relative Intensity
53.11911	1.1
58.06605	1.4
59.52398	1.3
59.73103	1.4
70.06607	2.7
81.72708	1.4
85.02915	1.8
87.04450	2.2
90.69820	1.6
99.04468	1.7
107.63795	1.7
109.88510	1.3
116.07063	1.4
151.07565	1.7
175.08626	1.6
176.58528	1.6
224.07401	2.0
271.63739	1.5
282.07364	2.0
283.50137	1.8
296.09122	1.6
306.07687	2.4
307.08334	9.8
308.09045	2.0
309.08655	1.5
310.07098	7.9
320.05777	2.3
324.08746	15.2
325.09631	2.9
335.07861	34.6
338.06552	3.4
350.09827	2.5
353.08975	68.6
368.11295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
52.99221	1.0
84.50761	0.8
91.05473	5.6
93.07036	1.2
95.08602	1.5
98.64169	1.1
105.07059	1.1
108.05753	1.4
114.57110	1.0
123.08088	4.2
136.05186	11.7
139.53783	1.0
149.05914	1.9
151.07518	2.4
164.04678	4.9
166.06253	1.3
167.06564	1.5
174.05435	1.2
175.03870	1.3
175.07544	1.1
176.07822	2.0
177.01817	57.0
179.07030	100.0
181.08571	6.5
182.09013	3.9
190.06299	5.8
191.06570	9.0
199.07527	2.1
200.07892	4.1
201.79111	1.0
205.08562	15.1
206.08954	20.4
262.09488	4.4
274.09576	1.7
277.08649	1.2
277.11612	1.4
278.08817	1.0
279.09607	1.2
280.10855	1.0
290.08826	5.8
294.12045	4.6
304.10583	2.0
305.11295	5.9
306.08472	4.2
306.11966	21.5
307.09015	2.1
308.13605	1.7
310.11548	1.8
320.05795	1.4
321.11011	5.4
322.07422	2.3
322.11502	33.2
336.09262	1.4
336.13104	10.3
337.09958	2.3
337.13879	41.0
338.10413	11.0
340.16168	1.2
350.06351	3.8
350.10138	5.7
350.24231	1.1
353.12714	6.6
368.07498	11.4
368.11279	53.3
368.15683	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1126
Annotation	Yagonin
Peak:m/z	Relative Intensity
50.21759	1.5
52.16283	1.8
54.50094	1.7
57.56359	1.8
62.43342	2.0
63.18943	1.6
69.07038	1.9
71.08624	4.3
78.76820	1.7
81.07039	2.7
84.37295	1.7
91.39993	1.9
99.08088	2.4
133.69092	1.8
155.15273	2.0
246.69060	2.0
249.82925	2.3
294.11118	2.5
294.21478	11.7
308.09378	2.7
322.10895	8.5
323.11539	7.6
324.08670	45.0
336.08560	2.6
336.12320	3.1
337.06232	2.0
337.13058	2.9
338.06531	12.6
338.10284	6.3
340.11591	4.5
352.08078	50.7
353.08813	28.5
353.12463	4.1
368.11209	100.0
368.15115	14.3
368.21082	11.4
368.25064	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1126
Annotation	Yagonin
Peak:m/z	Relative Intensity
52.30133	0.6
57.30656	0.6
64.31657	0.6
64.95776	0.6
98.46168	0.7
162.94920	0.7
171.75250	0.8
176.67204	0.7
294.07602	1.0
307.12051	0.7
308.09195	13.9
310.10678	2.9
310.93903	0.8
324.12320	14.1
336.08710	1.3
336.12405	2.6
338.10355	6.2
350.92639	0.7
352.11795	16.5
353.08908	1.1
353.12619	14.1
368.11206	100.0
368.15067	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1128
Annotation	Yagonin
Peak:m/z	Relative Intensity
52.89618	0.9
56.64507	0.9
56.98823	0.8
60.06231	0.9
60.88639	0.8
67.05488	1.2
81.07040	1.5
95.08572	1.3
134.78653	1.0
135.04382	1.7
149.05971	2.5
155.61316	1.1
160.12003	1.1
160.94136	1.1
177.12778	1.1
193.04916	2.2
252.23897	1.0
276.20416	1.4
292.06015	12.7
294.07468	2.1
308.09210	5.4
310.07047	1.6
320.05499	13.1
321.06293	8.0
321.09735	1.4
322.07190	2.2
322.10770	4.1
324.08490	1.8
325.09204	1.4
335.07935	10.7
336.08691	23.1
337.09366	2.2
338.06558	35.8
338.10187	4.5
340.11673	2.5
350.10059	5.0
353.08911	44.4
368.11215	100.0
368.14893	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.112
Annotation	Yagonin
Peak:m/z	Relative Intensity
79.71747	0.4
84.50558	0.3
93.52292	0.3
99.02316	0.3
121.06484	0.3
172.42773	0.3
216.93633	0.3
278.08136	0.5
280.09677	0.6
294.07581	1.6
307.08423	0.4
307.11798	0.4
308.09155	13.7
309.09521	0.4
310.10809	0.6
320.09222	0.6
322.10556	0.6
324.11945	0.6
336.08810	0.6
336.12296	3.8
337.12909	2.0
338.10153	1.9
340.11523	0.6
352.11710	1.4
353.08865	1.7
353.12646	0.7
368.11221	100.0
368.14978	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69798	0.3
72.70119	0.3
80.20148	0.4
80.56312	0.3
91.05479	5.4
119.04941	10.1
121.02858	0.5
130.00314	0.4
135.04396	0.9
137.05981	2.1
144.04439	1.7
147.04401	2.3
149.02335	7.9
149.05972	33.6
152.38744	0.4
159.04401	0.9
174.01811	0.5
174.05502	14.4
175.03883	1.5
177.01805	8.7
177.05479	2.3
190.05020	2.1
193.01277	1.8
202.05006	0.9
204.02873	0.5
236.06941	0.4
248.07002	1.6
264.06555	2.4
265.07571	0.4
266.08072	0.6
275.03384	0.4
276.06512	18.9
277.04858	0.6
277.07452	0.6
278.08051	5.1
280.06223	0.7
280.09634	2.2
280.67758	0.5
291.08783	2.5
292.06052	3.9
293.06897	0.7
294.07556	2.0
294.11151	2.9
304.05902	0.8
304.09399	0.6
305.07047	0.5
306.07605	10.3
306.11261	0.7
307.08307	3.5
308.09076	3.7
320.05515	2.6
321.06482	0.9
321.09769	4.4
322.07016	30.2
322.10727	25.1
323.07678	0.5
324.08707	0.7
332.05417	0.5
333.06339	0.5
334.07025	2.0
335.07828	0.7
336.08594	2.7
336.12250	0.8
340.08066	7.1
340.11884	2.0
348.08701	1.5
350.06467	37.4
350.10266	14.2
351.07419	0.6
368.07544	100.0
368.11267	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1124
Annotation	Yagonin
Peak:m/z	Relative Intensity
77.74464	0.6
85.98844	0.5
88.00838	0.5
89.40579	0.6
116.97221	0.6
129.97017	0.6
133.27853	0.6
254.50671	0.7
278.08002	0.8
294.07510	1.1
307.11862	0.6
308.09177	12.8
310.10742	2.7
322.10583	0.9
323.11630	0.8
324.08545	0.7
324.12259	16.1
336.12149	4.9
338.10239	10.2
352.07596	0.8
352.11728	22.9
352.15778	1.1
353.09042	0.8
353.12589	16.4
368.11191	100.0
368.15045	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26413	0.3
53.26660	0.2
57.07064	0.3
59.70116	0.3
61.02890	0.3
67.05501	1.3
69.07039	0.5
69.20110	0.3
79.05487	0.5
81.07055	1.4
83.08621	0.5
89.52428	0.3
91.05465	0.5
93.07056	1.2
95.08607	1.6
103.16904	0.3
105.07020	0.7
107.08603	1.5
109.10210	0.4
110.81761	0.3
119.08547	0.5
121.10139	1.4
123.08215	0.3
131.08603	0.4
135.11729	0.7
145.10132	0.7
153.90108	0.3
157.10132	0.4
159.11829	0.3
172.07617	0.3
174.52512	0.3
187.11287	0.3
205.40797	0.4
285.15234	0.3
294.07425	1.4
308.09155	11.6
310.10690	0.6
314.24799	0.4
315.23071	1.5
332.25739	2.2
333.24103	1.6
336.08725	1.1
338.10352	0.7
340.11823	0.5
350.26859	1.4
353.08765	1.2
368.11255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1129
Annotation	Yagonin
Peak:m/z	Relative Intensity
50.29019	0.6
58.84760	0.9
67.05493	0.8
70.96757	0.8
79.36549	0.8
81.07059	1.2
84.53416	0.8
91.05479	1.2
93.04585	0.8
105.07063	1.0
191.05214	1.3
197.34496	0.8
206.58705	0.9
258.19717	1.2
258.64334	0.9
276.20410	1.3
292.06067	4.5
296.07492	1.9
308.05688	1.5
308.09128	3.0
320.05542	81.2
334.06836	0.9
335.07858	63.2
336.12335	3.6
338.06494	17.1
350.10175	16.8
350.23431	1.0
353.08969	15.8
368.11270	100.0
368.24426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30133	0.6
57.30656	0.6
64.31657	0.6
64.95776	0.6
98.46168	0.7
162.94920	0.7
171.75250	0.8
176.67204	0.7
294.07602	1.0
307.12051	0.7
308.09195	13.9
310.10678	2.9
310.93903	0.8
324.12320	14.1
336.08710	1.3
336.12405	2.6
338.10355	6.2
350.92639	0.7
352.11795	16.5
353.08908	1.1
353.12619	14.1
368.11206	100.0
368.15067	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1129
Annotation	Yagonin
Peak:m/z	Relative Intensity
52.55423	0.2
55.05487	0.4
59.40723	0.3
67.05499	0.5
69.07071	0.3
78.42923	0.3
81.07054	0.5
93.07068	0.4
95.08576	0.4
105.07053	0.4
107.08562	0.5
109.06482	0.3
141.43857	0.3
155.28815	0.3
162.25104	0.3
198.05460	1.0
235.32524	0.3
278.08109	1.3
280.09601	1.2
291.08737	0.3
293.10376	0.3
294.07590	1.5
306.07678	0.3
308.09180	13.0
309.09955	0.6
309.58258	0.3
310.07101	0.3
310.10822	0.6
313.95728	0.4
320.05566	2.3
322.10602	0.4
324.08591	0.4
335.07874	2.1
336.08609	0.5
336.12228	1.1
336.79510	0.3
337.09247	1.1
338.06564	0.7
340.08090	0.3
340.11859	1.6
350.10056	1.0
350.23569	0.4
353.08853	2.4
368.11276	100.0
368.14835	3.6
368.24298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1129
Annotation	Yagonin
Peak:m/z	Relative Intensity
55.05506	0.4
69.07072	0.5
72.04521	2.8
79.05511	0.3
81.07040	0.5
83.08573	0.3
84.01237	0.3
93.07053	1.3
94.62417	0.3
95.08581	0.4
96.48277	0.3
97.02908	0.6
97.10155	0.4
114.09181	0.7
121.10114	0.6
131.08601	0.4
149.09592	0.4
158.99593	0.4
184.14163	0.3
184.16971	3.7
198.28194	0.3
202.17999	4.9
278.08151	0.5
287.80362	0.3
294.07623	1.4
305.00995	0.3
308.09143	10.2
310.10791	0.7
336.08743	0.5
338.10275	0.7
340.11728	0.7
353.08868	1.6
359.17007	2.6
368.11288	100.0
368.28098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69798	0.3
72.70119	0.3
80.20148	0.4
80.56312	0.3
91.05479	5.4
119.04941	10.1
121.02858	0.5
130.00314	0.4
135.04396	0.9
137.05981	2.1
144.04439	1.7
147.04401	2.3
149.02335	7.9
149.05972	33.6
152.38744	0.4
159.04401	0.9
174.01811	0.5
174.05502	14.4
175.03883	1.5
177.01805	8.7
177.05479	2.3
190.05020	2.1
193.01277	1.8
202.05006	0.9
204.02873	0.5
236.06941	0.4
248.07002	1.6
264.06555	2.4
265.07571	0.4
266.08072	0.6
275.03384	0.4
276.06512	18.9
277.04858	0.6
277.07452	0.6
278.08051	5.1
280.06223	0.7
280.09634	2.2
280.67758	0.5
291.08783	2.5
292.06052	3.9
293.06897	0.7
294.07556	2.0
294.11151	2.9
304.05902	0.8
304.09399	0.6
305.07047	0.5
306.07605	10.3
306.11261	0.7
307.08307	3.5
308.09076	3.7
320.05515	2.6
321.06482	0.9
321.09769	4.4
322.07016	30.2
322.10727	25.1
323.07678	0.5
324.08707	0.7
332.05417	0.5
333.06339	0.5
334.07025	2.0
335.07828	0.7
336.08594	2.7
336.12250	0.8
340.08066	7.1
340.11884	2.0
348.08701	1.5
350.06467	37.4
350.10266	14.2
351.07419	0.6
368.07544	100.0
368.11267	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1125
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
65.95824	1.1
67.05542	1.1
69.08049	1.2
81.78489	1.2
92.20979	2.7
108.26428	1.3
116.04991	1.6
131.14038	1.2
144.04469	6.9
147.04419	9.9
147.83043	1.2
149.06032	1.8
165.01842	5.5
174.05495	100.0
176.07039	10.1
177.62315	1.3
278.08081	25.6
287.19946	1.7
290.08118	3.0
292.06042	8.1
294.07755	2.0
306.07565	31.3
306.10788	2.0
307.08380	53.0
310.07126	5.3
312.08685	4.9
322.07202	6.5
322.10724	45.0
327.32715	1.3
334.07065	2.1
335.07825	7.4
340.08121	76.4
340.12201	2.7
350.06577	3.0
350.10178	18.8
350.23538	2.6
353.09061	2.2
368.07507	11.8
368.11340	88.7
368.14987	4.8
382.98636	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1129
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
53.35455	0.8
54.42486	0.9
57.03436	1.0
61.80607	1.0
63.42028	0.9
75.33673	1.0
76.10804	0.8
77.82278	0.9
79.05521	1.7
81.07049	1.2
93.07051	1.0
105.07034	1.0
121.06520	1.2
136.29568	1.1
147.04382	1.9
149.02281	1.1
159.04440	1.3
175.03900	12.0
179.03394	28.4
190.04984	2.5
192.06590	1.1
207.83363	1.0
210.68140	1.2
252.29027	1.3
276.20334	1.2
280.77319	1.2
282.66000	1.2
292.06082	6.8
304.09525	1.5
306.07657	2.0
320.05530	100.0
322.10641	2.4
334.07040	1.8
335.04196	9.6
335.07846	74.5
336.08810	2.2
336.12180	11.2
337.12918	6.1
338.02863	7.1
338.06616	14.5
340.11722	1.7
350.10260	19.2
350.14246	2.0
350.23572	2.6
353.05197	10.9
353.08981	9.4
367.08301	2.3
368.07471	11.3
368.11249	85.3
368.15054	22.2
368.24725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1127
Annotation	Leptocarpine
Peak:m/z	Relative Intensity
54.90012	1.2
56.42135	1.3
59.26987	1.2
64.27610	1.1
65.54063	1.1
73.10859	1.1
112.13780	1.2
131.04938	9.6
161.05954	2.2
190.04996	3.1
229.07773	1.3
292.06061	5.9
310.10730	2.8
317.06586	1.8
320.05527	100.0
322.07257	1.6
322.11404	2.0
335.07877	87.1
338.06519	1.9
350.06796	3.3
350.10239	60.4
368.07797	5.6
368.11346	54.1
368.15155	4.0
368.23676	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07789	0.2
80.29372	0.2
83.33447	0.1
105.65049	0.2
128.23775	0.2
213.31316	0.2
243.43381	0.2
256.32898	0.2
280.09723	0.2
294.07611	0.2
306.07712	0.2
306.11819	0.1
307.08936	0.2
307.12057	1.6
308.09033	1.5
309.09955	0.8
310.10690	2.2
320.09259	0.2
322.10699	0.9
323.11365	1.5
324.12283	32.2
325.09509	0.2
335.07916	0.3
335.11441	0.3
336.08755	0.9
336.12253	7.1
337.09268	0.7
337.13037	0.3
338.06467	0.5
338.10184	12.7
339.10992	0.9
343.36157	0.2
350.10245	0.7
352.11777	47.5
353.09015	0.7
353.12549	30.3
368.14917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32762	0.2
54.42561	0.2
56.11351	0.3
66.90965	0.3
74.33372	0.3
96.00522	0.3
124.55072	0.3
126.61963	0.3
161.06042	0.4
166.78534	0.3
169.50459	0.3
202.56032	0.3
204.06596	0.4
206.80843	0.3
277.07538	0.6
278.08163	1.3
292.06180	0.7
292.09415	0.4
294.07535	2.0
306.07593	3.0
307.08301	1.7
307.12036	2.4
308.09134	11.6
310.10736	4.5
320.09094	0.6
321.09912	2.2
322.10736	5.2
323.11505	2.0
324.12274	31.8
336.08664	0.9
336.12292	7.7
338.10172	14.0
338.14264	0.5
339.11008	0.5
350.10056	0.7
352.11780	43.4
353.12570	31.7
368.11136	85.7
368.14987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70814	0.3
53.83483	0.2
58.31273	0.2
106.08143	0.3
109.56876	0.3
116.53503	0.3
119.36277	0.3
173.41969	0.2
250.08778	0.3
277.07373	1.1
278.08014	2.1
280.09512	1.0
282.84937	0.3
292.05991	0.9
294.07584	1.9
294.11127	1.3
295.08386	0.4
306.07632	5.7
306.11041	0.5
307.08307	2.7
307.12054	2.8
308.09164	11.9
308.12518	0.9
309.09964	0.6
310.10742	4.8
320.08978	0.5
321.09909	4.6
322.07190	0.9
322.10672	10.0
323.11447	1.5
324.12256	35.5
334.06958	0.6
335.08032	0.8
335.11441	0.6
336.08621	1.4
336.12253	9.0
337.09326	1.1
337.13092	0.7
338.10175	18.1
339.10974	0.6
340.11533	0.5
350.10095	2.3
350.13791	1.4
352.11774	47.5
353.08932	2.1
353.12558	35.5
368.11142	93.9
368.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53033	0.4
58.45443	0.4
73.39265	0.5
131.42429	0.5
181.39697	0.5
226.66879	0.6
265.07401	0.6
277.07095	0.6
280.09610	0.8
294.07587	1.1
306.07874	0.8
308.09189	13.5
309.10065	0.6
310.10709	2.2
315.24316	0.6
321.09918	0.9
322.10675	1.2
323.11511	0.7
324.12241	16.2
336.12158	3.6
337.09229	0.6
338.10257	8.0
352.11783	25.6
353.08408	1.1
353.12558	14.9
368.11200	100.0
368.15048	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70814	0.3
53.83483	0.2
58.31273	0.2
106.08143	0.3
109.56876	0.3
116.53503	0.3
119.36277	0.3
173.41969	0.2
250.08778	0.3
277.07373	1.1
278.08014	2.1
280.09512	1.0
282.84937	0.3
292.05991	0.9
294.07584	1.9
294.11127	1.3
295.08386	0.4
306.07632	5.7
306.11041	0.5
307.08307	2.7
307.12054	2.8
308.09164	11.9
308.12518	0.9
309.09964	0.6
310.10742	4.8
320.08978	0.5
321.09909	4.6
322.07190	0.9
322.10672	10.0
323.11447	1.5
324.12256	35.5
334.06958	0.6
335.08032	0.8
335.11441	0.6
336.08621	1.4
336.12253	9.0
337.09326	1.1
337.13092	0.7
338.10175	18.1
339.10974	0.6
340.11533	0.5
350.10095	2.3
350.13791	1.4
352.11774	47.5
353.08932	2.1
353.12558	35.5
368.11142	93.9
368.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77961	1.3
54.64635	1.1
54.77581	1.4
64.92744	1.2
67.51981	1.2
72.19937	1.2
75.24102	1.3
81.44612	1.3
120.30212	1.5
216.58546	1.5
310.10678	2.7
324.12299	33.4
336.12244	9.4
338.10138	13.5
352.11746	46.3
353.12598	35.9
368.11292	8.3
368.14993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1488
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
57.53111	0.4
84.98357	0.4
125.28266	0.4
147.01436	0.4
190.08676	0.4
206.04478	2.0
212.77324	0.4
221.08263	0.4
277.07425	0.6
278.07895	0.7
280.09702	0.5
289.07050	0.5
294.07446	1.0
306.07562	2.6
307.08441	0.5
307.12042	1.5
308.09109	12.0
309.09515	0.4
310.10620	3.2
321.09973	1.9
322.10648	5.5
323.11588	0.6
324.12268	24.8
336.08603	1.1
336.12228	5.9
338.10233	11.1
340.11804	0.7
350.10208	0.8
352.11792	32.4
353.08914	1.7
353.12576	24.0
368.11169	100.0
368.15018	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
51.60408	0.2
52.25474	0.3
56.68789	0.3
58.14370	0.3
59.52086	0.3
61.86081	0.3
80.94804	0.4
85.56582	0.3
98.07448	0.3
102.30050	0.4
110.51481	0.3
122.65781	0.3
130.32655	0.4
143.07547	0.3
176.21165	0.3
189.42729	0.3
195.17770	0.3
266.08023	0.5
277.07422	0.5
278.08069	0.7
280.09891	0.4
289.07416	0.5
292.06088	1.7
292.09485	0.6
294.07474	2.3
306.07629	5.5
306.10849	0.7
307.08395	1.8
307.12009	1.3
308.09137	11.0
308.12390	0.6
310.10794	4.0
321.09927	5.0
322.07184	0.6
322.10690	7.3
323.11597	0.8
324.12280	24.6
335.07861	0.5
335.11502	0.7
336.08627	1.1
336.12286	6.6
337.09366	0.8
338.06619	0.7
338.10211	13.2
338.13956	0.6
340.11713	0.5
350.10071	0.6
350.13873	1.7
352.11798	33.1
353.08884	2.6
353.12598	25.9
368.11182	100.0
368.15024	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1488
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
60.09824	0.6
65.09064	0.5
74.68795	0.6
89.69057	0.6
108.10660	0.6
115.38625	0.6
130.28967	0.6
178.75110	0.7
194.61093	0.6
217.44890	0.6
306.07648	1.1
307.12271	0.9
308.09250	2.8
310.10858	2.9
322.10849	2.4
323.11615	1.1
324.08469	1.0
324.12283	30.9
333.48654	0.7
336.12354	6.7
338.10236	14.0
352.11792	43.5
353.12564	30.9
357.63049	0.7
368.11169	16.9
368.15039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
52.70814	0.3
53.83483	0.2
58.31273	0.2
106.08143	0.3
109.56876	0.3
116.53503	0.3
119.36277	0.3
173.41969	0.2
250.08778	0.3
277.07373	1.1
278.08014	2.1
280.09512	1.0
282.84937	0.3
292.05991	0.9
294.07584	1.9
294.11127	1.3
295.08386	0.4
306.07632	5.7
306.11041	0.5
307.08307	2.7
307.12054	2.8
308.09164	11.9
308.12518	0.9
309.09964	0.6
310.10742	4.8
320.08978	0.5
321.09909	4.6
322.07190	0.9
322.10672	10.0
323.11447	1.5
324.12256	35.5
334.06958	0.6
335.08032	0.8
335.11441	0.6
336.08621	1.4
336.12253	9.0
337.09326	1.1
337.13092	0.7
338.10175	18.1
339.10974	0.6
340.11533	0.5
350.10095	2.3
350.13791	1.4
352.11774	47.5
353.08932	2.1
353.12558	35.5
368.11142	93.9
368.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1492
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
50.55427	0.8
53.38503	0.9
70.34396	0.8
73.99087	0.8
81.07072	0.9
102.43375	0.8
114.04365	0.9
134.48714	0.9
142.75912	0.8
148.72131	0.9
221.30101	0.9
292.09756	1.3
304.09689	1.7
306.07590	1.4
307.12079	4.5
308.09283	1.1
322.07156	1.2
322.10828	3.5
323.11661	3.5
324.08804	2.6
324.12277	23.9
334.47891	1.0
335.11493	3.7
336.08640	1.8
336.12344	18.6
337.13022	5.1
338.06555	3.0
338.10318	11.0
338.13739	1.2
340.11584	1.2
350.06635	5.7
350.10358	2.1
352.08258	3.8
352.11896	35.4
353.08707	3.2
353.12561	25.1
368.11172	22.7
368.15054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49970	0.3
57.66986	0.3
65.03941	0.3
67.05503	0.5
91.05476	5.7
92.20936	0.5
93.07060	0.7
95.08564	0.7
105.07071	0.5
107.22422	0.3
108.05724	1.4
109.06512	0.7
119.04916	1.5
123.08070	3.8
135.04378	0.7
136.05197	11.9
149.05975	0.6
151.07533	4.7
164.04643	5.2
171.26508	0.3
174.05534	0.5
175.03874	0.5
177.01813	43.3
179.07019	100.0
193.16084	0.4
202.04948	1.3
284.58948	0.4
306.07571	0.4
321.10077	0.5
322.10861	0.7
324.12210	3.4
332.21750	0.6
335.07825	0.7
335.11426	0.8
336.12628	0.6
337.13583	0.6
338.10205	34.3
350.06467	0.6
350.10095	2.7
352.11618	1.4
353.12567	20.0
368.07455	5.8
368.11185	36.8
368.15036	25.5
368.24438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55427	0.8
53.38503	0.9
70.34396	0.8
73.99087	0.8
81.07072	0.9
102.43375	0.8
114.04365	0.9
134.48714	0.9
142.75912	0.8
148.72131	0.9
221.30101	0.9
292.09756	1.3
304.09689	1.7
306.07590	1.4
307.12079	4.5
308.09283	1.1
322.07156	1.2
322.10828	3.5
323.11661	3.5
324.08804	2.6
324.12277	23.9
334.47891	1.0
335.11493	3.7
336.08640	1.8
336.12344	18.6
337.13022	5.1
338.06555	3.0
338.10318	11.0
338.13739	1.2
340.11584	1.2
350.06635	5.7
350.10358	2.1
352.08258	3.8
352.11896	35.4
353.08707	3.2
353.12561	25.1
368.11172	22.7
368.15054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01866	1.6
56.61485	0.3
57.03436	0.8
59.39299	0.3
61.02911	1.6
63.25010	0.3
67.05473	0.3
67.60486	0.3
67.95579	0.3
69.03436	7.9
71.04987	1.6
73.02905	1.9
81.03410	4.6
83.04964	0.6
85.02908	24.7
85.06538	2.7
87.00340	0.5
87.00836	12.4
95.04955	0.6
97.02892	11.9
97.06538	0.5
99.04433	4.5
103.68200	0.5
105.01869	17.3
109.02885	6.6
109.06580	0.5
110.07157	2.0
113.06004	0.6
121.06496	0.5
123.08048	0.5
127.03911	18.5
129.01822	0.9
145.04955	6.8
147.02992	0.4
153.12721	0.4
159.02882	5.0
171.06523	0.9
193.08603	0.7
206.04480	100.0
211.09685	1.5
213.03777	0.5
231.04967	6.2
235.33598	0.4
249.05994	2.6
297.09824	0.5
315.10663	3.9
333.11768	1.5
350.13831	0.6
368.09799	14.2
368.16779	0.5
368.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
56.94768	2.3
59.25240	2.3
61.02918	3.1
61.96062	2.2
63.89894	2.1
69.03426	27.8
70.53233	2.3
73.02896	3.4
74.06071	2.8
75.04498	3.7
81.03418	17.9
84.95657	2.8
85.02905	100.0
85.06544	13.2
87.00820	49.4
87.04387	2.5
97.02898	39.5
99.04443	19.5
105.01870	69.1
109.02875	27.1
110.07090	2.7
113.05993	3.2
121.06516	55.9
127.03906	75.2
132.00069	2.7
145.04988	29.2
150.68633	2.9
159.02922	13.4
171.02896	3.2
171.10025	3.1
193.08563	5.4
206.04474	85.8
206.07486	3.1
230.10194	4.5
231.04926	26.5
242.17854	2.9
249.06085	12.3
272.52521	3.0
284.33795	3.3
315.10645	17.0
333.11728	3.5
368.09747	5.9
368.17258	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40966	1.3
55.01875	2.3
57.03433	2.9
58.06605	1.8
60.61499	1.8
61.02922	3.5
69.03436	37.6
69.11707	1.5
71.04994	1.8
73.02899	4.2
81.03437	22.0
83.04969	2.0
85.02905	100.0
87.00829	47.3
93.07014	2.8
97.02896	42.1
97.06553	2.3
99.04447	16.6
105.01870	73.1
109.02877	27.8
109.06500	2.3
113.06006	2.7
118.95744	1.7
121.06498	44.0
125.05941	1.8
127.03918	77.6
129.01849	2.4
145.04964	25.6
152.07104	2.0
159.02867	13.4
164.07057	2.0
189.03848	1.8
193.08591	4.0
206.04440	4.2
211.09514	4.1
231.04974	20.2
249.06058	13.5
311.98077	1.9
315.07318	1.9
315.10812	11.7
333.11826	4.2
353.08792	3.7
362.93665	1.9
368.11627	14.0
368.16959	6.3
368.20914	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40966	1.3
55.01875	2.3
57.03433	2.9
58.06605	1.8
60.61499	1.8
61.02922	3.5
69.03436	37.6
69.11707	1.5
71.04994	1.8
73.02899	4.2
81.03437	22.0
83.04969	2.0
85.02905	100.0
87.00829	47.3
93.07014	2.8
97.02896	42.1
97.06553	2.3
99.04447	16.6
105.01870	73.1
109.02877	27.8
109.06500	2.3
113.06006	2.7
118.95744	1.7
121.06498	44.0
125.05941	1.8
127.03918	77.6
129.01849	2.4
145.04964	25.6
152.07104	2.0
159.02867	13.4
164.07057	2.0
189.03848	1.8
193.08591	4.0
206.04440	4.2
211.09514	4.1
231.04974	20.2
249.06058	13.5
311.98077	1.9
315.07318	1.9
315.10812	11.7
333.11826	4.2
353.08792	3.7
362.93665	1.9
368.11627	14.0
368.16959	6.3
368.20914	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70374	2.0
97.47256	2.4
154.73323	2.3
173.94241	2.6
175.07571	3.1
190.06230	14.6
191.06606	5.8
199.07545	3.3
200.07913	4.7
205.08580	27.0
206.08969	25.0
274.09595	3.5
277.11755	3.1
289.08490	2.8
290.08981	4.1
291.09668	3.3
292.06067	5.3
294.12177	4.3
304.10571	4.7
305.11404	12.5
306.08679	5.1
306.12073	29.1
307.08710	2.9
308.13391	2.7
310.11609	2.6
320.05573	5.1
321.06448	12.1
321.10843	5.7
322.11487	55.3
324.66217	2.6
330.99423	2.9
336.08582	17.6
336.13065	16.5
337.13947	59.2
338.10904	5.3
353.13232	10.0
368.11182	20.9
368.15582	100.0
368.25128	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
61.02896	0.5
68.42690	0.4
69.03419	4.1
71.04991	0.5
73.02894	1.9
81.03394	2.7
85.02903	15.4
85.06528	1.8
87.00848	3.7
87.04449	0.4
91.03963	0.7
91.05462	1.1
93.07006	2.5
95.04953	0.7
97.02892	6.4
99.04461	4.7
100.78374	0.4
103.05450	0.8
105.01868	5.3
106.86494	0.4
109.02840	2.7
110.07140	1.9
121.06500	49.7
126.58247	0.5
127.03925	7.1
128.43289	0.4
128.44426	0.4
132.04463	0.6
137.05890	0.5
145.04964	3.8
152.68047	0.4
159.02910	0.9
167.35081	0.5
175.81822	0.4
178.04977	33.3
206.04475	100.0
230.10159	1.1
231.05008	3.1
248.11302	2.1
249.06044	0.7
297.09589	0.9
315.10773	1.8
368.10327	3.3
368.17050	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1703
Annotation	Isatidine
Peak:m/z	Relative Intensity
55.05477	1.6
59.11428	0.3
67.05491	0.2
70.06568	0.3
71.04948	0.4
72.08151	0.3
85.02872	1.4
85.06530	0.3
87.04431	0.4
88.07099	0.3
88.07650	0.3
93.07017	0.4
95.08594	0.5
97.06510	0.5
99.04410	0.7
107.08559	1.1
109.10169	0.3
117.05499	4.6
117.06976	0.3
121.06435	0.3
127.03893	0.6
135.11699	3.7
143.04875	0.3
145.04971	0.4
145.06487	1.1
146.05980	0.4
148.47868	0.3
151.07510	1.1
153.09093	0.3
153.12755	4.9
162.05498	0.4
162.06754	1.0
162.48798	0.3
167.07008	0.3
171.13763	0.3
175.07474	2.4
177.07809	1.8
177.09138	1.9
182.08080	0.3
183.83844	0.3
189.07460	0.5
190.04990	0.4
191.05728	4.8
192.10188	100.0
203.07062	1.1
206.04518	0.5
206.08116	19.2
208.13380	0.6
209.08009	0.4
234.11212	1.7
252.12291	11.9
267.18405	0.3
350.14178	1.7
368.13190	4.5
368.17148	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82230	0.4
69.03426	0.5
74.13822	0.4
74.24437	0.4
80.01349	0.5
85.02891	0.7
85.96412	0.4
87.04465	0.5
91.05489	2.0
93.07036	3.2
99.04473	4.0
103.05461	1.8
109.06593	0.4
121.06506	100.0
124.07590	0.6
127.03939	1.1
132.06590	0.8
150.09134	1.1
152.07047	0.5
167.68941	0.4
170.08186	0.6
176.03355	0.6
178.05074	0.8
182.08107	0.5
194.08066	0.6
206.04485	56.3
212.09210	2.3
230.10251	4.1
248.11314	10.1
248.13829	0.6
252.12209	2.5
270.13504	0.7
302.14160	0.7
324.02985	0.5
332.17239	0.6
350.12387	0.5
350.16287	0.9
368.10388	3.7
368.17078	71.1
379.60513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
61.02896	0.5
68.42690	0.4
69.03419	4.1
71.04991	0.5
73.02894	1.9
81.03394	2.7
85.02903	15.4
85.06528	1.8
87.00848	3.7
87.04449	0.4
91.03963	0.7
91.05462	1.1
93.07006	2.5
95.04953	0.7
97.02892	6.4
99.04461	4.7
100.78374	0.4
103.05450	0.8
105.01868	5.3
106.86494	0.4
109.02840	2.7
110.07140	1.9
121.06500	49.7
126.58247	0.5
127.03925	7.1
128.43289	0.4
128.44426	0.4
132.04463	0.6
137.05890	0.5
145.04964	3.8
152.68047	0.4
159.02910	0.9
167.35081	0.5
175.81822	0.4
178.04977	33.3
206.04475	100.0
230.10159	1.1
231.05008	3.1
248.11302	2.1
249.06044	0.7
297.09589	0.9
315.10773	1.8
368.10327	3.3
368.17050	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13262	0.3
54.35814	0.3
55.05507	1.0
62.11063	0.4
70.06570	0.5
71.04998	0.7
73.32658	0.4
76.17143	0.5
77.59355	0.4
85.02876	0.5
85.06528	0.7
89.69790	0.4
99.04447	1.6
117.05478	5.3
121.06448	0.5
124.03953	0.4
131.06889	0.5
135.11723	0.9
145.06496	0.9
145.08415	0.6
146.06049	0.4
147.06354	0.6
151.07532	0.6
152.66307	0.5
153.12782	0.7
157.56090	0.4
162.05484	0.6
162.06725	1.0
165.09082	0.5
172.71812	0.4
175.07562	1.7
177.07806	2.3
177.09158	1.6
189.07487	0.8
189.27667	0.4
190.04942	0.7
191.05774	11.6
192.10196	100.0
193.08537	0.4
203.07082	0.9
206.08131	43.2
208.13348	0.6
209.07991	0.8
223.09660	0.6
230.10085	0.5
234.11252	1.0
239.23515	0.4
252.12303	10.1
289.15555	0.4
345.33511	0.4
350.14157	2.4
368.13248	9.3
368.17020	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42564	0.8
55.05507	1.5
57.03454	1.2
59.04987	0.8
61.16049	0.7
61.44897	0.9
69.03428	5.4
69.07064	1.4
70.06602	9.1
70.96854	0.8
71.04998	7.7
73.06554	0.9
73.63586	0.9
79.05501	1.7
81.03411	5.5
81.07052	10.6
83.08609	1.5
83.63717	0.9
85.02907	14.2
85.06547	3.3
87.00817	7.3
87.04478	1.8
91.05460	1.6
93.07023	4.0
95.08599	1.3
97.02893	5.4
99.04474	1.8
99.08072	1.0
105.01876	8.2
107.08576	2.1
108.04494	3.8
109.02877	5.0
109.06519	1.4
119.04933	3.9
121.06503	3.1
123.04359	1.6
123.08186	0.8
126.05521	4.1
127.03908	12.2
131.04979	4.1
135.11703	7.7
137.05965	8.1
145.04974	4.6
145.06451	1.2
147.04407	15.4
149.05981	30.4
151.07574	1.2
153.12746	25.5
157.06546	0.9
159.02953	1.0
161.05969	16.6
163.07559	8.8
164.07057	15.7
165.05492	4.7
166.08612	1.6
169.60020	1.0
171.06535	2.1
173.05949	10.8
175.03897	13.7
175.07532	14.8
177.05504	1.2
187.07578	1.6
191.16522	1.0
193.08543	1.4
195.11674	1.2
199.07516	4.1
207.06506	12.8
213.12727	2.0
220.10983	0.9
230.10077	1.3
231.05054	2.1
231.13802	1.6
241.12254	13.8
241.84979	0.9
244.11484	1.0
249.06036	1.5
259.13287	5.9
263.27643	1.0
272.11188	3.9
276.15918	6.0
277.14337	1.2
336.12598	1.7
350.19290	1.0
351.10318	1.0
351.18082	1.4
352.24695	0.9
358.51776	0.8
368.20697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.0
68.28214	0.7
71.41634	0.6
81.07079	0.7
81.31297	0.7
93.07087	0.8
95.08621	1.2
105.07011	0.9
140.27257	0.7
144.67090	0.7
161.29251	0.8
161.62706	0.7
181.08473	1.2
190.06310	0.8
191.06602	1.0
205.08557	4.2
206.08925	6.0
290.08920	1.2
291.16269	1.0
305.11417	2.9
306.08539	1.4
306.12033	4.5
307.08215	1.3
309.09229	0.8
309.17337	8.7
322.11655	8.2
323.11429	2.4
327.18396	43.7
336.08566	0.9
337.13885	9.0
345.19470	100.0
363.20428	9.5
368.07138	0.9
368.11130	6.2
368.15659	18.3
368.20480	2.2
368.21750	1.3
368.24930	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77116	0.5
52.18758	0.5
54.45632	0.5
59.04894	0.5
66.24727	0.5
75.12912	0.5
81.07034	0.8
91.05463	3.0
93.07043	9.2
103.05448	3.7
105.04529	0.7
106.02927	0.6
107.08604	0.9
121.06503	100.0
121.10072	2.3
124.03917	3.7
130.11659	0.5
173.13359	0.7
190.05017	0.6
214.77597	0.6
220.13179	0.6
230.15387	41.3
234.44151	0.6
248.16431	21.1
290.80099	0.6
304.09937	0.8
320.09097	1.0
322.10620	3.1
324.08237	0.7
332.22122	3.4
336.12347	11.7
337.12860	2.8
338.06183	1.4
338.10089	1.0
350.13602	1.0
350.23279	5.5
352.12000	0.8
353.08740	1.0
353.30273	0.6
368.07153	0.8
368.10986	7.5
368.15213	19.7
368.22046	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77116	0.5
52.18758	0.5
54.45632	0.5
59.04894	0.5
66.24727	0.5
75.12912	0.5
81.07034	0.8
91.05463	3.0
93.07043	9.2
103.05448	3.7
105.04529	0.7
106.02927	0.6
107.08604	0.9
121.06503	100.0
121.10072	2.3
124.03917	3.7
130.11659	0.5
173.13359	0.7
190.05017	0.6
214.77597	0.6
220.13179	0.6
230.15387	41.3
234.44151	0.6
248.16431	21.1
290.80099	0.6
304.09937	0.8
320.09097	1.0
322.10620	3.1
324.08237	0.7
332.22122	3.4
336.12347	11.7
337.12860	2.8
338.06183	1.4
338.10089	1.0
350.13602	1.0
350.23279	5.5
352.12000	0.8
353.08740	1.0
353.30273	0.6
368.07153	0.8
368.10986	7.5
368.15213	19.7
368.22046	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2795
Annotation	ETHYL TUMONOATE A
Peak:m/z	Relative Intensity
55.05513	4.8
56.05052	1.1
57.07072	5.3
67.05505	8.8
69.07066	11.8
70.06596	7.6
71.08627	6.0
72.04507	6.2
73.02899	3.2
79.05495	1.5
81.07066	12.4
83.08628	9.9
85.06553	4.9
91.05489	1.3
93.07032	1.8
95.08608	13.2
97.06467	1.1
97.10166	7.5
98.06046	11.3
99.08083	6.8
100.07632	1.6
105.07020	1.5
107.08583	1.7
109.10181	4.5
111.11721	1.4
113.09669	0.9
116.07091	100.0
119.08559	1.4
121.10137	3.6
123.11680	3.5
133.10133	3.7
134.62300	0.8
135.11719	4.8
137.13264	1.0
147.11722	1.9
161.13239	1.7
203.31102	0.8
217.19533	1.1
225.22029	1.0
234.58672	0.8
235.20668	1.0
253.21736	0.8
271.22726	7.7
278.24826	7.6
296.25833	8.2
297.24289	4.3
298.93365	0.8
350.26810	9.2
368.27921	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2792
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
55.05509	1.1
55.63240	0.8
60.04530	43.4
66.83624	0.9
67.05504	9.2
69.07073	1.9
71.08602	0.9
75.04856	0.9
79.05475	3.0
81.07051	12.3
83.08617	0.9
88.03983	16.9
91.05471	1.4
93.07034	2.1
95.08610	10.5
106.05028	100.0
107.08602	1.6
109.10152	4.5
121.10122	1.3
123.11681	3.2
124.66778	0.9
144.53226	0.8
147.11627	1.3
163.14772	1.2
173.00696	0.8
216.10262	0.8
245.22527	2.0
263.23660	3.7
275.06418	0.9
348.91516	0.9
350.26993	1.4
368.14999	1.9
368.27383	11.3
368.32172	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2794
Annotation	ETHYL TUMONOATE A
Peak:m/z	Relative Intensity
55.05514	3.5
56.05035	3.0
58.06594	8.8
64.13497	1.7
66.02847	1.9
67.05508	12.8
69.07061	2.7
71.01141	2.1
79.05499	9.5
81.07050	17.5
83.08611	2.8
84.08151	2.8
91.05474	3.5
93.07056	13.3
95.08613	16.0
97.06532	2.5
98.09674	2.4
100.99290	1.7
105.07050	8.1
107.08632	4.4
109.10164	3.7
110.09657	2.7
117.06998	2.0
119.08586	3.7
121.10128	8.7
131.08598	2.8
133.10139	8.1
145.10153	2.9
147.11700	4.2
189.20042	1.9
267.79602	2.1
276.23083	16.3
294.24289	2.9
296.15555	2.7
350.06784	2.0
353.08621	9.7
368.11292	14.6
368.15091	3.6
368.27972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61886	1.3
55.05511	9.3
57.07088	1.5
67.05499	7.9
69.03434	2.4
69.07066	8.7
72.04520	61.7
73.02928	1.9
79.05479	6.6
81.07065	14.7
83.08643	1.8
85.02946	1.6
91.05465	2.3
93.07052	14.3
95.08603	8.9
97.02908	15.6
97.06522	3.2
97.10169	8.5
99.04398	1.6
107.08619	2.3
109.06545	2.2
111.04445	3.2
112.99158	2.2
113.05994	6.6
114.09145	15.8
115.76987	1.4
118.02629	1.6
120.78209	1.8
121.06513	6.9
121.10145	15.2
125.06027	1.9
128.10713	6.9
131.00154	3.2
131.08562	17.5
136.61584	1.8
139.11197	3.7
142.12263	1.7
143.10919	1.6
147.03107	1.9
149.01218	8.6
149.09631	20.0
156.03575	11.4
158.99718	1.8
167.02232	1.9
167.10596	11.8
173.01422	1.7
177.00630	1.7
184.16966	71.8
184.18582	2.8
187.03079	1.7
202.18016	100.0
278.14499	3.1
280.19196	2.4
293.05435	3.4
308.09216	12.7
311.06137	1.9
340.12006	2.0
359.17242	40.0
359.67480	3.2
368.06741	2.8
368.11255	84.4
368.14957	4.1
368.28098	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09655	0.9
55.05513	2.3
57.42474	1.0
61.92855	1.2
67.05508	1.5
69.07073	7.7
71.56306	1.2
79.94340	0.9
81.07079	5.9
83.08643	5.0
83.52992	1.3
86.06062	5.9
86.09715	100.0
93.07049	1.4
95.08601	4.3
95.60790	1.2
107.08556	1.1
117.75766	1.2
126.60849	1.3
132.10204	48.8
133.70393	1.1
135.11644	1.4
140.98868	1.2
201.26187	1.4
268.26227	2.1
322.30914	2.6
368.11298	3.0
368.31302	14.4
368.35284	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69649	0.8
55.05519	1.6
65.09291	0.9
67.05500	8.0
69.07059	4.1
70.06599	14.5
81.07055	6.9
88.07629	57.3
91.05465	1.5
93.07026	4.7
95.08630	7.2
105.07036	1.7
106.08671	100.0
107.08597	2.0
109.10160	1.8
119.08556	1.6
121.10126	2.4
123.00822	1.0
138.36792	1.0
159.11685	1.2
172.11948	1.6
196.67130	1.0
276.06601	1.6
307.26306	2.4
350.30295	7.8
368.14896	1.5
368.31616	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3157
Annotation	N-octadecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
50.59606	0.3
51.37177	0.3
53.14586	0.3
55.05536	1.1
56.43243	0.4
57.07070	0.4
57.95866	0.3
60.41792	0.3
67.05503	2.0
67.33054	0.3
69.07067	7.2
69.64414	0.3
79.05508	0.4
79.65849	0.3
81.07056	2.9
83.08620	2.2
86.06072	3.8
86.09705	100.0
93.07028	1.4
95.08607	2.0
97.10156	0.8
107.08567	0.5
109.10165	0.8
111.11662	0.5
118.14255	0.4
121.10131	1.8
132.10201	33.3
146.79279	0.3
190.72491	0.4
195.63445	0.4
322.30966	4.0
323.20169	0.6
350.30524	1.5
368.11151	0.6
368.15298	0.5
368.31577	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
57.07070	0.8
67.05518	3.3
68.81390	0.4
69.03428	2.8
69.07064	3.8
71.08618	0.5
73.60451	0.5
79.05506	0.6
81.07053	2.3
83.08624	2.8
86.06069	100.0
87.04467	14.9
91.19563	0.5
93.07055	1.0
95.08598	2.7
97.10149	2.2
104.07110	22.2
104.07809	0.8
107.08607	0.6
109.10163	0.5
120.45786	0.5
121.10122	2.6
146.67361	0.5
149.13248	0.5
193.99628	0.5
329.55139	0.5
350.27710	0.7
353.12195	0.6
368.11121	0.9
368.15125	1.0
368.31552	23.7
368.35013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05947	0.7
55.05521	9.6
57.07076	3.4
64.19205	0.6
64.50452	0.7
67.05521	5.6
69.07071	20.0
71.08623	1.5
73.02884	1.0
79.05522	0.8
81.07059	9.4
83.08631	14.7
85.06525	0.9
93.07050	3.6
95.08614	7.3
97.10163	7.4
99.04451	3.0
107.08649	0.9
109.10151	4.3
111.11720	1.6
120.45085	0.7
121.10139	3.4
123.11707	1.0
135.11711	1.1
147.11620	0.9
158.34045	0.8
161.09319	0.8
309.27875	100.0
368.35226	98.1
368.42694	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34811	0.6
55.05521	5.8
55.05735	0.6
57.07077	1.5
61.77591	0.7
63.16002	0.7
63.49389	0.9
67.05489	4.4
69.07073	11.2
71.08659	0.8
71.85563	0.8
73.02893	1.0
74.28712	0.7
79.05486	0.9
81.07070	6.0
83.08615	9.2
88.73792	0.7
95.08572	4.1
97.06496	1.0
97.10145	3.5
99.04430	1.5
107.08549	1.0
109.10149	3.4
111.11678	0.9
112.11205	1.4
121.10124	1.1
211.11142	1.0
283.26224	1.6
309.27866	100.0
310.39532	0.9
368.15146	1.1
368.35129	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19453	0.5
55.05519	12.4
57.07070	2.9
60.08172	1.5
67.05502	4.7
69.07069	22.1
69.79598	0.6
71.08620	1.7
79.05496	1.4
81.07066	8.0
83.04989	0.8
83.08628	16.0
85.10178	0.8
93.07035	2.9
94.99371	0.6
95.08606	9.5
97.10178	8.5
99.04446	3.8
105.07033	0.6
107.08589	2.9
109.10163	4.1
111.08128	0.7
111.11720	2.9
121.10149	1.5
123.11681	1.7
125.09629	1.0
127.03998	0.7
133.10117	1.1
135.11723	1.1
149.13237	0.7
176.37781	0.8
184.56245	0.9
309.27869	100.0
345.69815	0.8
368.35211	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37855	20.2
78.80138	27.9
78.90292	26.4
98.82339	30.2
111.19011	28.0
136.36404	28.9
172.27710	32.1
232.77484	27.0
273.30957	27.8
292.51434	25.7
369.05716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57655	1.2
51.75798	1.2
58.33041	1.3
73.88221	1.5
74.74475	1.6
82.40578	1.5
85.01392	2.7
91.86581	1.5
100.97812	1.6
103.02441	11.4
117.03986	8.6
119.01919	2.3
121.03525	3.8
131.01889	2.4
135.05008	6.9
145.03481	3.4
147.01341	13.3
154.00082	1.4
161.02930	7.9
165.02444	3.3
189.02438	17.4
193.03450	3.4
195.05048	12.8
196.81532	1.5
203.01965	1.6
203.03979	1.6
207.03481	17.4
209.02907	7.6
211.04514	12.1
213.06180	1.6
219.04971	2.8
221.02982	15.4
225.02428	3.5
225.06026	7.3
229.05571	12.2
235.04506	7.9
237.06059	56.5
239.03999	23.0
247.04507	19.9
253.05542	27.8
255.07120	44.5
263.04071	11.6
265.05618	31.1
271.06525	6.1
273.02423	2.0
279.07117	6.7
281.05066	40.6
291.03427	12.2
293.04730	2.1
297.08209	2.1
299.06085	14.4
307.06644	2.0
309.04596	15.3
311.06339	5.6
323.06079	34.3
333.04385	13.3
337.04172	1.9
341.06934	12.0
351.05505	23.8
355.05029	2.6
369.06586	100.0
387.07715	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62611	0.4
53.69274	0.4
56.05112	1.2
58.36520	0.4
59.18338	0.4
67.05588	0.9
69.07163	2.0
79.69643	0.4
81.03499	1.0
92.20950	0.7
95.08679	0.5
109.09567	0.7
109.10269	3.2
119.05032	0.7
119.08678	0.7
137.09698	0.7
140.53052	0.6
147.04492	0.8
150.57367	0.5
153.13943	0.9
154.12262	29.5
171.14899	13.4
175.03926	4.4
177.05566	0.9
182.15532	0.7
196.16919	0.5
201.05592	0.6
205.07747	0.6
207.06534	4.9
213.07852	4.2
238.08629	10.3
240.06624	2.0
261.06592	0.6
263.08139	17.2
281.09348	1.2
286.13275	3.1
291.07620	100.0
304.14337	0.8
309.08545	4.2
319.07010	6.9
333.25241	0.8
334.23410	0.7
337.10733	0.7
351.09723	48.9
351.26331	5.8
369.10684	39.2
369.27469	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08879	0.6
58.17999	0.8
63.81254	0.7
65.03938	0.7
69.03444	7.8
78.70925	0.7
81.03423	9.2
85.02905	5.0
91.05476	8.3
99.04459	1.0
105.03535	0.8
105.92858	0.7
109.02927	2.8
116.77013	0.8
119.04088	0.9
119.04946	25.6
127.03925	3.7
137.06007	5.0
147.04419	31.4
151.07512	1.2
157.04024	3.7
161.05960	0.9
175.03911	83.2
177.05576	1.0
179.07135	1.2
180.94414	0.7
187.07495	1.1
189.05499	0.9
190.05014	1.5
201.05457	3.2
207.06540	100.0
225.07529	1.7
237.09396	0.9
277.08536	1.9
309.11148	1.1
327.12469	0.9
337.10614	1.5
340.44711	1.0
351.07016	1.7
351.10742	13.2
369.11981	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.27005	0.8
69.03432	4.5
69.07082	2.3
77.66584	1.2
80.01595	0.9
81.03413	7.6
85.02910	5.3
91.05486	7.4
93.97824	1.0
99.04433	1.1
101.46925	1.0
109.10160	2.3
117.00243	1.0
119.04932	26.2
119.05734	1.3
119.08738	1.2
147.04419	24.1
154.12283	26.8
157.03957	1.2
171.14941	10.2
175.03905	78.8
177.05446	1.3
179.06973	1.7
181.08632	1.3
192.04108	1.1
196.16992	3.8
207.06528	100.0
207.13855	1.0
219.08086	1.4
238.08621	1.3
263.08121	2.5
291.07617	30.1
293.06494	1.4
307.12561	1.1
310.11813	1.2
311.08392	1.2
323.11517	6.0
338.14331	4.6
351.10089	28.0
351.26273	2.2
369.11536	25.0
369.16202	5.0
369.27374	5.7
379.52203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1167
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03951	1.4
69.03430	5.9
81.03426	15.3
82.31812	0.8
85.02890	4.9
91.05492	8.4
97.02880	1.2
99.04450	1.4
109.02903	4.1
119.04955	29.5
147.04417	34.2
147.05595	1.2
157.03986	3.6
160.65695	0.9
175.03903	84.2
177.05397	1.2
182.51201	0.9
189.81206	0.8
207.06523	100.0
217.71460	1.0
337.12592	5.2
351.10648	17.3
369.11346	13.8
369.16174	8.1
369.79630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
54.87507	0.5
57.03443	0.7
58.78345	0.5
65.03918	0.7
68.80859	0.6
69.03432	7.1
73.02918	0.9
81.03426	19.0
85.02886	6.9
91.05480	10.7
97.02879	1.1
99.04473	1.1
109.02883	7.4
111.04436	0.9
119.04944	33.1
127.03892	1.2
145.02824	0.8
147.04413	38.2
153.05450	1.2
157.04010	3.5
164.04681	0.8
173.61102	0.6
175.03902	82.4
177.05466	0.8
178.82808	0.6
179.07063	1.3
179.55328	0.6
186.05896	0.6
192.04172	2.5
207.06525	100.0
225.07558	0.7
251.10670	0.7
260.71729	0.7
264.07889	1.0
307.10077	0.9
309.09674	0.6
325.12802	0.8
337.12915	0.9
338.13684	0.8
351.06638	1.0
351.10718	20.3
351.14911	0.7
352.15436	1.4
353.12109	0.7
369.11145	9.3
369.15225	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1175
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03951	1.1
67.73649	0.7
69.03436	6.6
81.03432	14.0
85.02896	4.9
91.05495	9.3
97.02859	1.0
99.04439	1.6
109.02864	3.7
113.10940	0.8
119.04939	24.9
122.96536	0.9
127.03935	1.6
131.04964	1.0
132.02069	0.9
137.05971	1.5
147.04416	30.7
157.03992	1.6
164.29926	0.8
175.03903	78.8
179.06975	1.1
190.04976	1.2
191.05313	1.4
192.04190	1.1
201.05452	1.1
207.06525	100.0
225.07619	1.9
239.66164	1.0
351.06848	5.3
351.10745	21.4
352.15521	1.8
353.12164	1.0
360.29343	0.8
369.07928	3.8
369.11887	16.0
369.16092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1165
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
54.23116	0.2
55.97847	0.2
63.02347	0.2
72.29842	0.2
81.03432	0.4
83.04975	0.4
89.03897	1.9
111.00919	0.2
111.04446	0.3
117.03371	7.2
119.04948	1.0
126.08959	0.2
135.04341	0.3
138.43826	0.2
139.08649	0.2
145.02849	50.9
147.04391	1.3
149.05981	3.7
163.03897	0.4
175.03876	2.2
177.05464	100.0
195.06509	0.2
201.05493	0.3
205.04393	0.3
207.06540	2.7
250.20953	0.2
339.14246	0.4
351.10501	0.4
353.15637	0.4
369.12000	0.4
369.18890	0.3
369.43500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
54.45306	0.8
56.34917	0.9
64.34843	0.8
65.03970	1.1
67.54876	0.9
69.03435	7.1
74.11739	1.1
79.37259	1.2
85.02895	1.1
89.03884	1.3
89.14042	1.0
91.05473	2.2
97.02884	1.8
99.04424	1.3
105.25605	1.2
117.03336	8.6
119.04945	11.3
127.03905	5.0
145.02841	55.7
147.04395	12.7
149.05968	5.5
153.05447	1.3
157.03918	1.4
175.03893	42.2
177.05463	100.0
183.60672	1.0
199.17696	1.0
207.06523	49.1
207.08290	3.0
241.62070	1.1
293.09207	10.3
325.11905	2.4
326.11435	1.5
328.15375	5.4
351.10675	2.1
369.11859	10.3
384.06775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
65.03951	19.2
66.52818	3.5
71.08495	3.2
81.03427	13.7
92.21470	3.7
93.03397	23.4
105.76626	3.2
110.03692	16.3
111.04467	33.8
119.04943	20.4
125.05987	43.4
145.02840	4.7
147.04420	16.6
153.05457	100.0
153.06577	5.9
154.12306	6.3
159.08069	4.3
175.03899	33.5
175.07504	4.5
177.05447	21.9
182.15425	7.7
185.06004	5.2
186.06741	5.0
199.07571	29.0
201.05458	7.2
207.06537	54.0
216.07840	25.7
218.07353	4.7
219.08029	8.4
220.08879	15.2
229.08614	20.4
235.07434	4.5
236.08348	18.7
238.12633	3.7
247.07503	3.9
248.08295	6.5
249.09167	7.5
251.10620	35.6
264.07831	39.4
277.08554	15.4
278.09326	8.3
279.10260	16.4
291.07498	4.9
293.08029	4.3
298.16122	3.9
307.09744	63.6
308.10080	5.8
309.11102	7.7
311.12744	8.0
323.09314	5.1
336.08319	3.7
337.10669	8.6
339.12213	44.9
351.11215	17.4
369.13358	63.7
369.27740	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
58.65619	2.8
64.09517	2.4
65.03931	21.2
67.05455	2.9
71.68218	2.7
93.03407	19.3
95.04996	3.3
110.03654	21.6
111.04428	26.3
111.55368	3.0
121.99997	2.8
125.05996	31.7
145.02872	5.4
153.05466	100.0
175.03931	5.1
177.05479	12.5
185.06113	4.1
186.06764	4.4
191.08580	3.6
199.07547	12.0
199.16354	2.8
201.05420	7.5
207.06512	7.5
208.08820	4.0
216.07793	23.7
219.08105	7.2
220.08835	13.0
220.22360	3.5
229.08545	31.1
231.08029	3.4
235.07495	6.4
236.08299	18.9
247.07475	7.6
251.10634	32.9
261.09113	5.2
262.06006	3.5
264.07849	41.6
265.08499	7.0
276.07889	5.9
277.08606	4.6
278.09293	5.9
279.10129	15.8
280.44751	3.1
292.07291	4.3
294.08716	3.0
306.08948	3.3
307.09665	69.2
308.10352	4.5
311.12793	7.2
337.10651	5.5
339.12210	43.2
369.13602	14.5
379.83102	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	8-(1,1-DMA)kaempferide
Peak:m/z	Relative Intensity
52.09803	2.1
55.01870	3.2
63.18774	2.0
67.05508	3.3
69.40121	1.9
69.41892	2.1
70.48165	2.3
73.49709	2.2
79.05492	3.2
81.03429	2.6
81.07047	4.4
91.05510	3.3
92.20950	4.7
93.07011	2.7
103.05441	3.7
107.04967	10.2
110.42770	3.0
114.24582	2.3
119.04955	9.4
122.81116	2.4
131.04950	24.2
145.02853	17.8
147.04414	9.1
155.04922	3.4
161.06006	2.5
167.07028	14.5
167.14478	2.4
175.03909	27.1
175.07579	4.7
177.05470	38.4
181.08699	3.5
187.07533	3.5
191.07028	23.2
195.06544	5.3
203.08582	4.4
205.08635	3.6
206.07280	3.5
206.09036	3.5
207.06491	27.9
207.13724	3.2
215.07033	19.9
218.07289	3.5
219.08047	3.0
221.09668	4.5
231.08075	17.7
234.06767	11.5
235.07605	8.9
244.05350	2.8
245.05908	2.8
247.07500	3.1
248.08168	4.6
249.08995	19.5
251.07019	2.9
259.07584	16.1
261.09091	4.2
262.06277	3.6
263.07016	8.9
263.10724	5.1
270.48532	2.5
272.04703	4.4
275.07224	2.9
276.07785	16.2
277.08621	25.2
278.09503	3.2
287.07065	16.8
288.07788	2.8
289.08575	2.7
290.09082	2.6
291.10107	15.1
293.07983	4.9
294.08789	5.4
304.07266	11.4
305.08096	56.5
306.08630	5.0
309.11337	15.9
319.09756	21.4
322.08258	8.3
323.11856	12.0
336.07123	5.1
337.10663	100.0
337.14365	4.0
338.14255	12.0
341.08279	2.8
351.12561	21.0
369.13144	95.3
383.25787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.81477	0.4
51.15075	0.4
53.03948	0.8
55.01881	2.2
57.03456	0.9
65.03947	0.6
69.03431	5.7
81.03429	10.1
85.02934	2.7
85.77178	0.6
91.05472	6.7
91.29935	0.6
95.04958	1.1
97.02901	1.1
99.04465	2.3
103.05489	1.0
105.07024	0.7
107.04974	1.0
109.02894	3.3
111.04491	0.9
119.04939	22.1
119.05734	1.1
127.03928	0.8
128.03094	0.5
131.04988	1.0
137.06049	3.2
145.02892	2.3
145.06497	0.9
147.04407	24.6
151.07628	0.9
153.05510	0.9
156.43800	0.6
157.04088	1.2
157.06482	0.7
165.07042	1.0
165.09209	0.7
167.07074	0.7
173.05933	0.7
175.03896	66.4
177.05528	2.9
178.07809	1.1
179.07098	2.1
179.08549	1.1
189.07077	0.8
190.07809	0.9
191.08611	2.2
193.10194	0.7
194.07309	2.9
195.08136	0.8
199.07622	2.8
201.05498	3.2
202.07823	1.0
203.08603	3.0
205.06551	0.9
206.07349	2.3
207.06511	81.1
218.07314	2.3
219.08115	4.5
220.08832	4.3
221.06149	1.1
221.09666	2.9
222.06749	4.2
223.07664	2.4
224.08437	0.9
225.07379	0.7
230.07375	2.3
231.08087	6.7
232.08920	3.7
233.05971	1.2
233.09645	1.2
234.06834	3.8
235.07527	6.2
235.11279	0.7
236.08368	3.3
237.05580	0.9
237.09123	7.1
238.06299	1.1
238.10040	1.2
245.09720	1.0
246.06908	1.0
247.07469	6.5
248.08296	11.8
249.05565	0.7
249.09154	8.2
250.06168	4.0
250.09898	1.0
251.07124	3.4
251.10721	4.3
252.07857	3.6
253.08809	1.3
259.07590	1.3
260.08319	1.1
261.05582	0.6
261.09143	4.3
262.06287	2.1
262.09796	4.8
263.07169	5.2
263.10522	4.9
264.07938	3.3
265.08569	23.9
266.05893	1.0
266.09500	4.4
275.07196	2.3
276.07831	6.0
277.08667	5.9
278.06375	0.9
278.09479	6.0
279.06689	2.9
279.10294	8.2
280.07404	0.8
280.11057	1.0
281.08188	0.6
281.11682	0.9
282.08920	2.2
289.08792	0.7
290.09427	1.2
291.10126	28.1
293.08060	12.8
293.11127	0.8
294.08829	9.9
294.11319	0.6
295.06400	0.6
295.09787	3.7
305.08047	1.9
306.08749	0.8
307.09586	11.5
307.12549	0.6
308.10330	4.8
309.07788	1.3
309.11224	21.3
309.14587	0.8
310.11041	1.0
311.09146	2.6
311.12961	2.2
319.09668	10.2
322.08228	5.8
323.09305	2.8
324.09607	0.7
326.09988	0.9
337.10669	100.0
338.07217	0.9
338.11105	5.5
339.06967	6.0
339.12100	4.2
341.12338	2.4
351.10718	12.4
352.15622	2.4
353.12515	0.8
354.09375	8.4
369.13281	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1525
Annotation	Drosopterin
Peak:m/z	Relative Intensity
60.68988	0.6
66.57616	0.6
93.07073	0.7
106.65178	0.7
120.33840	0.7
137.01952	0.7
137.05984	3.4
145.02811	0.8
147.04436	1.0
175.03886	5.5
177.01834	33.9
177.05484	3.8
178.02164	26.0
207.06560	3.7
207.13722	1.1
210.31070	0.7
239.39655	0.7
311.11169	3.5
325.12503	7.3
336.11761	3.9
337.12350	1.6
338.10138	9.3
339.10571	100.0
353.12378	6.8
354.09399	0.9
354.12921	58.6
369.08484	9.0
369.15298	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84264	1.1
69.15990	1.3
92.20950	2.5
107.54674	1.4
109.50277	1.3
133.14767	1.5
168.06837	1.7
181.08629	5.4
182.08946	3.2
190.06267	7.2
191.06596	6.4
192.06807	8.8
200.07814	1.9
205.08624	14.5
206.08943	20.0
207.09125	17.4
231.79823	1.4
243.18944	1.4
260.08859	1.4
261.16083	1.3
263.09766	2.1
275.09680	3.0
277.75827	1.2
287.25827	1.5
290.08847	1.7
291.09290	8.0
293.11441	2.0
295.12677	1.6
304.10773	1.5
305.11533	2.9
306.11682	10.5
307.08798	5.0
307.12274	26.8
307.74649	1.4
309.13846	1.6
311.42642	1.5
321.05841	1.5
322.11353	12.0
323.11829	44.3
329.50266	1.6
333.73563	1.6
336.08075	2.8
336.13501	3.1
337.13577	12.8
338.14194	56.1
339.11487	5.8
351.10666	2.4
354.13751	2.6
369.16058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1693
Annotation	Louisfieserone B
Peak:m/z	Relative Intensity
67.05511	1.0
69.07047	0.9
81.07064	1.2
83.08604	0.5
93.07063	1.1
95.08614	2.1
97.14708	0.5
101.94257	0.5
105.19298	0.4
109.10104	0.6
135.11699	0.6
145.02821	1.2
151.11162	0.7
177.05461	2.7
178.26596	0.5
207.13821	0.9
211.07581	0.9
213.05626	0.6
217.78792	0.7
224.08356	0.5
225.09155	0.9
226.06201	2.8
227.07037	3.4
232.96475	0.8
239.10579	1.2
249.09167	0.7
251.10715	0.8
253.12123	1.1
254.09337	0.8
254.13054	1.0
264.11453	1.1
265.08508	0.9
265.12167	0.8
267.10147	2.2
267.13535	0.6
268.10977	4.7
269.11752	0.9
277.12042	1.2
277.21353	0.6
280.11142	4.1
281.11752	5.8
282.12680	1.2
283.09766	0.7
285.11237	2.1
293.11505	1.0
295.09988	0.8
295.13284	3.3
298.08401	4.7
299.12756	2.1
307.16885	3.8
309.14804	3.5
309.18390	0.7
313.10693	4.6
313.14041	1.1
323.16431	8.3
325.18024	0.6
333.14676	0.6
337.18015	0.6
351.15921	3.6
351.25595	0.7
369.16928	100.0
369.26407	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99255	0.3
52.34489	0.3
57.03439	0.6
69.03437	2.6
81.03429	3.2
81.07043	0.4
85.02901	7.1
91.05479	2.3
93.60677	0.3
95.08597	0.6
97.02880	1.8
97.06531	4.8
99.04433	0.7
109.02865	1.7
111.08068	0.4
119.04943	5.0
119.08583	0.6
123.08067	1.8
127.03941	0.7
137.05977	4.6
145.02843	0.8
147.04411	6.6
147.08005	0.4
147.11774	0.5
151.07593	1.5
157.03882	0.5
161.04176	0.4
161.13210	0.6
165.09175	0.5
173.05846	0.4
175.03912	16.6
177.05490	2.4
189.12764	0.6
192.04050	0.4
194.59988	0.4
201.05507	0.6
207.06508	21.4
207.13799	100.0
219.08025	1.6
221.09633	1.3
221.79839	0.3
231.07932	2.6
231.13815	1.6
233.05881	0.5
234.06644	0.9
246.06880	0.5
247.07535	0.8
248.08298	0.8
249.09120	3.7
249.14764	2.7
262.06171	1.5
263.07123	0.6
276.07837	1.5
277.08514	3.0
278.09317	0.5
279.06482	0.8
288.77087	0.4
291.10123	0.4
294.08939	1.7
307.09592	0.9
308.10333	0.6
309.11246	1.6
322.08252	0.8
323.08752	0.5
337.10712	8.3
338.11453	0.5
351.10681	4.9
369.13083	9.5
369.19077	14.3
369.23718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48694	5.0
58.21170	6.2
67.05517	9.1
81.07046	7.6
87.84045	6.0
93.94173	6.6
95.08600	9.8
110.49597	6.6
119.04936	7.2
121.10117	8.8
145.74232	7.9
175.03897	13.0
207.06503	15.1
269.10486	15.6
277.21579	9.6
287.11670	9.4
351.25250	8.3
352.11618	6.7
354.09576	8.3
369.12909	34.4
369.19949	100.0
387.20184	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2058
Annotation	Quercetol B
Peak:m/z	Relative Intensity
52.64683	0.7
55.05500	0.8
59.54102	0.8
60.52628	0.8
68.14685	0.8
69.07067	4.1
81.07068	4.7
83.08624	1.2
83.30280	0.7
92.20898	1.0
95.08601	1.9
107.08624	0.7
108.95830	0.9
109.10151	1.0
121.10111	1.1
133.10175	1.1
154.12173	1.1
172.55081	0.9
177.05417	0.9
179.88724	0.9
182.15483	0.8
211.07513	7.1
211.10974	1.1
213.05400	1.5
223.07535	6.6
225.05568	1.2
238.06265	1.3
238.09970	1.6
239.06943	5.8
239.10684	1.2
240.11494	1.7
251.10768	4.8
253.12256	9.1
257.08011	4.2
266.13025	4.9
267.13849	5.0
268.10904	5.9
269.11661	3.5
279.13892	1.2
281.11722	52.5
294.12573	1.5
294.15829	1.3
295.13312	4.1
307.13461	1.3
309.18549	8.5
313.14362	7.1
324.28745	2.7
337.17981	45.4
337.22018	1.6
369.20612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05519	4.1
57.03451	2.0
57.07068	1.1
67.05523	10.7
69.07072	6.2
71.08630	1.2
79.05496	5.2
81.07053	12.6
83.04977	1.6
83.08624	4.4
91.05465	1.9
93.07043	2.5
95.08599	7.3
97.10158	1.1
105.07035	2.1
107.08588	6.3
109.06519	1.6
109.10162	5.7
111.01868	1.1
111.04450	15.3
111.08071	1.4
119.08605	1.7
121.10147	5.2
123.08102	1.9
123.11771	1.8
125.05949	4.3
125.09666	1.0
131.08644	1.0
133.10106	4.6
135.08028	1.8
135.11722	5.1
137.05978	100.0
137.09653	1.6
137.13269	1.5
143.08632	1.5
145.02858	6.6
147.11716	5.9
149.09732	1.6
149.13287	1.4
149.79015	1.0
151.07521	2.6
151.11162	1.5
161.09619	4.7
161.13274	1.6
163.11201	4.1
165.12737	1.5
172.13374	1.2
175.03987	5.0
175.11189	5.0
177.01813	53.7
177.03284	1.8
177.05412	15.0
178.02148	49.1
179.07071	5.0
179.10620	2.2
180.07385	4.6
203.17975	6.4
207.06499	1.9
220.28860	1.2
231.17479	5.5
249.18536	2.4
259.20566	1.2
277.18024	43.7
277.21573	7.7
295.19147	6.5
310.10730	1.2
311.11160	2.4
325.12558	6.4
331.58994	1.2
336.11801	2.1
338.10266	7.1
338.13885	1.3
339.10583	83.1
351.10760	1.3
351.21667	27.1
351.25403	9.3
351.71411	1.2
353.12247	4.6
354.08606	2.0
354.12894	46.6
369.08057	16.7
369.15317	81.9
369.22189	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Manaarenolide B
Peak:m/z	Relative Intensity
55.01874	1.5
57.03446	2.1
59.83139	0.9
67.05511	2.2
69.07075	1.8
79.05473	0.9
81.07058	10.9
93.07046	2.1
95.08606	4.4
97.10282	1.0
107.08601	2.3
109.06551	2.0
109.10169	3.5
110.03032	1.1
111.04430	13.5
119.08600	2.0
121.10141	2.2
125.06000	4.6
131.08577	1.2
133.10126	2.1
135.08026	2.1
135.11659	3.6
137.05981	100.0
137.09630	1.1
137.13274	2.2
145.02902	1.0
147.11699	6.3
149.09599	2.1
151.07536	1.3
161.09612	6.8
161.13210	1.6
163.11192	1.9
165.09146	1.6
175.11136	5.7
177.05470	1.5
179.10773	1.2
189.12607	1.5
203.17981	6.5
207.06578	1.2
213.16307	1.7
231.17462	5.8
249.18471	3.7
277.17969	45.2
295.19043	5.8
351.21631	17.8
351.25558	1.2
369.11884	1.6
369.22665	21.6
390.45337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.263
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.00310	2.1
54.42480	0.9
55.01882	1.7
55.05514	7.8
57.03431	4.2
57.07081	2.7
67.05502	17.1
69.07072	13.5
71.08630	55.3
74.17142	1.3
79.05495	21.4
81.03402	1.6
81.07055	26.7
83.04982	6.0
83.08613	8.1
85.06543	1.7
91.05479	17.8
93.07048	31.3
95.04971	5.4
95.08606	22.5
96.31300	1.2
97.06529	7.3
97.10150	2.4
99.08082	25.7
105.07021	19.7
107.04947	7.7
107.08599	17.2
109.06501	4.8
109.10174	9.1
117.07008	2.7
119.08585	12.5
121.10128	10.2
122.72843	1.4
123.08033	1.9
123.11731	2.0
129.07004	2.9
131.08539	6.4
133.10112	9.8
135.11707	10.4
137.09644	2.1
139.11148	1.6
143.08513	4.2
145.10135	2.0
147.11639	11.1
149.13240	4.9
151.11172	23.2
153.12715	1.8
155.53252	1.2
161.13286	11.7
161.14484	1.2
163.11151	13.6
165.12750	9.6
171.11665	1.9
173.11720	7.5
173.13043	1.5
175.14853	2.0
177.12769	1.7
179.14308	14.9
183.11536	1.4
185.13216	2.5
189.03314	1.7
199.14845	1.6
253.17816	2.5
259.20575	6.3
261.22195	1.9
277.21625	39.4
289.21664	6.2
295.22842	2.1
333.24307	5.2
351.25302	100.0
369.24179	1.2
369.26822	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05508	17.9
60.16433	3.8
63.39825	3.7
66.92020	3.4
67.05506	31.9
69.03421	4.8
69.07059	42.6
71.08634	9.7
74.09693	4.7
75.59357	3.8
79.05477	29.7
81.03409	9.2
81.07066	54.1
83.04980	9.3
83.08614	10.1
86.08163	3.9
88.03982	7.0
91.05453	19.0
93.07037	41.5
94.40363	4.1
95.04965	27.6
95.08624	31.0
95.48209	3.7
97.02885	9.1
97.06518	4.8
97.10150	7.3
98.83234	5.5
99.08054	5.7
105.07042	16.3
107.08595	22.0
109.06543	5.3
109.10115	9.7
111.04439	10.4
113.06010	4.2
119.08567	6.3
121.06511	4.8
121.10101	17.9
123.11660	5.2
125.09570	4.7
131.08545	19.1
133.06114	5.7
133.10136	17.7
135.11737	8.6
137.05974	32.7
139.73172	4.5
147.11700	9.2
149.09633	8.0
149.13239	5.9
150.49315	4.1
151.11188	18.9
154.12334	5.5
154.70261	3.8
165.05727	4.4
165.12732	8.5
167.10675	6.1
168.11447	4.0
181.12196	79.5
182.15393	6.5
191.14371	4.9
235.16844	6.4
241.19937	5.0
277.18402	14.1
277.21622	56.0
333.24255	28.1
351.21521	7.2
351.25284	100.0
369.26859	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Betaenone B
Peak:m/z	Relative Intensity
51.21809	1.3
53.03974	1.8
55.01872	2.0
55.05513	12.2
57.03435	1.9
58.34496	1.5
59.45760	1.5
64.07032	1.7
67.05509	35.2
67.67577	1.6
69.07074	34.7
71.05000	2.2
71.08627	3.5
79.05493	23.9
81.03421	33.0
81.07061	39.9
83.04979	12.8
83.08620	9.4
83.58395	1.7
91.05473	17.7
93.07046	33.3
95.04968	32.5
95.08597	19.1
95.21750	2.2
97.06511	3.0
97.10157	4.0
105.07034	16.5
107.08593	28.1
109.06536	8.2
109.10170	18.2
110.91676	2.0
111.08109	3.1
117.07009	2.5
119.08582	9.2
121.10139	12.9
123.08075	2.0
123.11709	3.2
125.09587	10.1
130.06477	6.5
131.08511	6.4
133.10133	18.5
135.08034	3.9
135.11722	6.7
143.08586	3.2
147.11690	9.8
149.13249	3.0
151.11183	31.0
157.10094	2.5
161.13249	11.1
165.12740	9.1
168.83205	1.8
175.14665	2.3
179.14368	2.6
185.13148	2.1
189.11153	2.5
189.12785	2.7
193.68416	1.7
196.50636	1.7
207.06653	2.2
244.01842	2.5
277.21622	64.6
279.92953	2.1
295.22516	2.9
323.21057	2.7
337.12625	3.1
351.20959	3.4
351.25262	100.0
351.29474	4.3
369.15363	2.4
369.24240	8.5
374.98068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Betaenone B
Peak:m/z	Relative Intensity
51.57169	1.8
53.70969	2.0
55.05512	10.7
67.05510	30.9
67.74643	2.3
69.07062	16.8
71.08633	26.6
74.09720	17.3
79.05495	17.2
81.03426	9.8
81.07059	27.6
83.05000	5.2
83.08617	5.4
91.05481	16.4
93.07047	31.5
95.04954	4.9
95.08602	18.8
95.54549	2.4
97.06555	4.7
99.08089	15.8
101.98979	2.1
105.07050	17.0
107.08609	16.5
109.06541	2.4
109.10159	10.3
111.08064	3.2
117.07002	2.8
119.08556	4.9
121.10146	14.5
122.68404	2.9
125.09666	3.3
133.10133	10.2
135.11688	12.3
147.11655	4.9
148.03362	2.5
149.13187	3.6
151.11203	25.1
154.12186	2.7
161.13248	14.2
163.11197	3.8
165.12721	4.5
171.11726	2.9
171.15038	2.8
173.11751	2.4
177.05437	10.7
179.12726	2.1
179.14299	15.2
181.12238	9.2
182.15349	3.5
198.46890	2.7
259.20407	2.6
277.21594	37.7
351.25284	100.0
369.26706	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.264
Annotation	Betaenone B
Peak:m/z	Relative Intensity
55.05516	19.8
57.07092	4.5
67.05515	54.8
69.07073	30.4
69.25737	4.5
71.08632	11.8
74.09722	21.0
74.52938	5.0
79.05491	26.0
81.03423	33.1
81.07050	35.9
83.04969	10.3
83.08650	6.0
91.05492	12.4
93.07047	46.0
95.04970	25.7
95.08606	25.7
97.02898	9.1
97.06520	7.1
99.08078	7.4
105.07045	12.3
107.08601	25.7
109.10173	20.0
111.04424	5.6
112.62989	5.2
119.08559	18.9
121.06452	5.6
121.10116	10.5
123.04355	5.5
123.11791	4.9
125.09642	6.0
131.08582	8.3
133.10112	18.5
133.12076	5.7
135.08061	4.8
147.11664	8.4
151.11168	26.9
154.12267	11.4
161.13228	10.6
165.12688	8.0
177.05406	8.7
179.14310	8.3
181.12251	65.6
182.15372	8.6
198.17638	5.6
239.83716	5.4
240.39084	5.0
244.97536	4.9
277.21622	65.3
333.24326	10.9
351.25314	100.0
369.26895	21.0
386.27148	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	gamma-Eudesmol 11-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
51.75904	1.0
51.81914	1.2
55.05523	10.4
57.03429	9.2
57.07064	1.5
67.05508	28.5
67.58915	1.3
69.07069	26.3
70.40957	1.4
71.08608	1.2
72.89608	1.2
76.07623	1.5
79.05497	18.9
81.07057	35.9
82.98076	1.4
83.08619	21.1
91.05474	10.8
93.07045	28.4
93.71867	1.6
95.08607	29.9
97.06515	3.0
97.10169	9.7
101.65961	1.3
105.07033	11.6
107.08598	17.9
109.06509	1.8
109.10148	14.6
111.08062	2.0
119.08552	12.4
121.10147	28.6
123.08117	2.2
123.11668	1.8
125.09679	1.6
127.07554	1.7
131.08571	3.4
133.10112	12.9
133.48749	1.5
135.11703	15.4
137.09612	2.6
145.02791	1.7
145.10141	1.8
145.53842	1.9
147.11659	8.6
149.13297	6.6
151.11165	2.3
152.19630	1.4
154.17099	1.3
159.11760	4.6
161.13208	4.6
163.11156	2.1
165.12743	1.8
177.05440	3.1
177.12721	1.9
259.20657	2.3
277.21646	19.7
309.17331	2.5
351.25232	8.0
369.16821	7.7
369.26349	100.0
369.31110	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
55.05505	2.9
57.07083	3.4
64.85433	2.9
67.05505	6.4
69.07066	14.7
71.08620	17.5
77.60487	2.4
79.05496	4.9
79.53470	2.6
81.07069	18.7
83.08618	4.2
93.07038	14.2
95.08607	21.7
97.06550	3.0
97.10178	2.7
99.08092	13.1
105.07037	11.6
105.93254	2.4
107.08604	13.2
109.06539	17.1
109.10161	10.0
111.08087	3.6
119.08549	5.6
121.06506	4.8
121.10110	5.2
127.41726	2.6
130.06482	2.3
131.08540	2.8
132.82489	2.8
133.10175	4.6
135.08049	3.1
139.11169	5.5
145.10132	10.1
147.11627	3.2
149.09544	2.5
161.13278	6.0
163.11197	3.9
163.14861	3.1
165.12732	52.7
175.14833	2.7
177.12755	11.7
177.59862	2.6
181.15874	5.1
181.58885	2.7
191.14412	4.7
205.15904	3.6
215.62437	2.4
220.33553	2.6
261.22098	17.9
289.21600	55.9
307.22678	13.4
333.24326	36.8
351.25287	100.0
351.31851	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Betaenone B
Peak:m/z	Relative Intensity
51.85563	2.1
55.01883	2.5
55.05516	32.7
57.03434	14.7
57.07087	4.0
58.03787	2.0
67.05511	81.3
69.03407	5.0
69.07069	55.7
69.35184	2.0
71.04998	2.6
71.08616	15.3
79.05501	29.8
81.03416	10.6
81.07064	60.3
83.05001	2.9
83.08613	24.1
84.31123	2.3
85.06544	5.2
91.05491	16.4
93.07038	43.2
95.04971	19.4
95.08605	35.0
97.05971	2.5
97.06536	15.6
97.10178	25.2
99.08097	11.3
105.07037	16.3
107.04939	3.0
107.08611	29.8
109.06537	3.6
109.10162	66.2
111.08071	5.2
114.46311	2.3
119.08572	21.6
121.10151	17.8
123.08073	12.3
123.11688	12.9
125.09647	14.5
131.08557	4.5
133.10144	14.1
135.11702	13.9
137.05984	4.4
137.09642	12.1
139.11143	3.4
145.02850	10.0
145.10109	4.0
147.04446	5.8
147.11702	13.5
149.13245	10.2
151.07620	2.6
151.11223	17.1
161.13269	9.8
165.12735	4.0
173.11690	9.4
175.03896	17.0
175.14864	3.9
177.05472	28.0
179.03445	3.5
179.07051	2.3
179.14270	2.7
182.15439	2.8
189.11266	3.3
201.05351	2.5
207.06488	22.6
207.13766	4.7
225.27527	2.5
227.12547	3.7
229.14413	24.0
241.19627	3.8
249.22264	2.7
259.20602	4.5
261.14209	2.7
277.21579	81.0
295.22827	5.3
321.05832	17.5
336.04514	19.7
336.08279	12.9
339.03394	23.2
339.06970	4.3
351.11267	3.7
351.25290	72.0
354.05554	31.3
354.09314	3.7
369.07831	37.8
369.12057	30.5
369.26379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Betaenone B
Peak:m/z	Relative Intensity
55.05510	23.2
55.32976	3.2
57.03438	4.7
57.07082	6.3
67.05509	71.4
68.96249	3.6
69.07068	22.4
71.04977	3.7
71.08622	24.3
79.05470	26.6
81.03427	16.5
81.07066	54.2
83.04966	7.5
83.08609	18.9
83.96619	3.7
91.05482	20.4
93.07038	38.4
95.04951	15.4
95.08618	33.2
97.10157	23.8
99.08090	14.6
105.07037	22.6
107.08585	35.5
109.10151	44.3
117.07002	5.4
119.08601	20.1
121.10127	15.8
123.08062	4.5
125.09607	20.3
130.73544	3.5
131.08559	5.2
133.10147	16.7
135.11719	20.2
137.09660	5.1
141.12730	15.4
145.10126	6.6
147.11661	15.5
151.11159	30.7
155.10701	6.1
161.13240	8.8
163.11064	4.4
163.86005	3.6
165.12729	4.5
173.11734	13.9
175.14760	4.7
189.11230	6.8
207.06438	5.4
227.12772	20.0
241.19672	5.2
245.13939	7.0
259.20605	9.2
277.21597	88.1
308.08585	6.8
324.11273	6.1
351.25351	100.0
369.11511	8.2
369.26501	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03926	2.4
55.05512	14.0
56.96582	2.5
57.03439	11.5
57.07080	14.0
67.05518	30.0
69.07069	20.0
71.04987	4.8
71.08629	5.1
79.05501	16.6
81.03432	5.0
81.07064	37.0
83.04983	4.6
83.08621	13.2
85.10185	26.8
91.05479	14.5
93.07043	26.1
95.04970	18.4
95.08617	19.1
97.10165	5.4
105.07049	23.9
107.04948	3.7
107.08602	22.5
109.10139	40.6
110.63595	2.6
113.09653	13.2
117.17306	2.4
119.08561	9.6
121.10149	13.8
123.08059	4.2
123.11680	3.8
125.09631	6.2
131.08534	3.7
133.10141	20.1
135.11684	6.2
145.10190	4.6
147.11699	4.6
149.09575	3.1
151.11179	12.6
161.13290	5.6
163.11166	3.5
165.12747	46.9
174.99057	2.9
179.10789	3.0
189.00604	3.0
189.11142	3.1
189.12738	3.1
207.06509	3.2
207.13893	4.1
277.18488	4.2
277.21619	71.0
295.22665	84.1
351.25464	23.2
369.11639	18.1
369.15628	15.6
369.26456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Carboprost
Peak:m/z	Relative Intensity
55.05516	3.4
56.94492	2.5
57.07069	5.2
57.81168	2.9
63.42825	2.9
67.05499	13.3
69.07063	7.3
71.08634	20.2
79.05501	16.3
81.07059	31.0
83.08611	4.8
85.06574	3.2
93.07067	23.3
95.04980	5.8
95.08603	16.5
97.02910	7.8
97.06542	5.8
99.08069	4.4
105.07053	3.5
107.08582	13.5
109.06499	7.4
109.10140	4.1
111.04434	19.2
111.08082	3.4
113.05988	6.1
120.48813	3.1
121.06518	13.7
121.10166	21.6
123.04379	4.0
125.05968	3.5
125.20284	3.6
127.30309	3.4
131.08577	17.7
135.55264	3.0
147.11720	3.8
149.09616	11.8
163.11140	4.8
165.12746	13.7
167.10611	4.3
181.12224	100.0
256.49692	3.7
317.88113	3.3
329.82739	3.4
333.24292	22.5
335.25784	5.7
351.25095	22.9
369.26343	14.5
369.30786	4.5
390.43646	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.8
57.07087	1.8
62.79408	1.4
67.05517	18.6
68.51505	1.4
69.07072	19.9
70.02951	9.1
71.08636	2.6
74.02442	9.6
74.09710	9.3
75.91657	1.8
79.05502	7.8
81.03436	4.2
81.07058	23.2
83.04981	2.8
83.08628	12.1
87.05598	58.4
88.03995	100.0
91.05483	2.6
93.07033	14.9
95.04956	10.3
95.08604	14.5
97.06527	2.4
97.10168	10.3
105.07005	3.6
107.08585	11.4
109.06541	2.0
109.10154	12.7
111.08148	1.8
116.03448	10.8
121.10152	12.9
123.11730	2.8
132.58643	1.6
133.06090	75.6
133.10162	8.5
135.11647	2.9
137.05965	4.1
147.11685	7.0
149.13246	2.3
151.11168	9.2
161.13211	2.0
171.11600	2.0
181.12268	8.5
231.21291	1.8
237.22055	2.2
277.18277	2.5
277.21664	26.1
306.23944	1.8
311.36673	1.6
324.25223	15.7
346.73779	1.6
351.25320	40.8
352.24777	42.0
369.16553	2.7
369.27557	14.3
377.12881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40781	0.2
55.05494	0.3
56.05038	6.1
63.57567	0.3
67.05508	2.5
69.07070	5.2
70.06599	0.4
72.90031	0.3
81.07059	1.4
83.08603	0.5
91.05467	1.6
93.07039	1.9
95.08600	3.2
97.06543	0.7
100.76894	0.3
102.74982	0.3
107.04916	0.4
107.08578	1.4
109.10159	10.8
110.09763	0.4
111.08112	1.2
111.11708	1.7
119.04973	0.4
119.08564	2.7
124.12222	0.3
126.12760	0.4
127.90973	0.3
135.11728	3.1
136.11264	2.4
137.05983	0.4
137.09651	3.3
147.04424	1.5
152.14349	1.5
153.12733	1.4
153.13878	4.0
154.12267	100.0
166.67558	0.3
168.53015	0.3
171.14914	43.7
172.13307	0.7
173.11711	0.6
175.03917	2.1
177.05444	0.5
182.15442	0.4
196.16962	3.9
198.14919	2.8
207.06532	2.3
213.07866	0.5
213.19489	0.4
228.19279	0.3
238.08633	1.2
247.07776	0.3
255.19992	0.3
263.08188	1.6
291.07623	9.1
304.14139	0.4
316.22769	0.4
333.25272	4.6
334.23914	2.6
337.10495	0.4
351.09689	4.6
351.26379	14.1
352.24774	1.8
369.10632	2.9
369.13968	1.9
369.27493	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	5.8
56.93707	0.6
67.05495	3.9
69.03429	1.3
69.07062	4.7
79.05479	0.8
81.03413	2.4
81.07070	3.2
83.08627	0.7
85.02894	0.9
91.05469	3.5
92.20905	1.4
93.07045	3.5
95.08601	4.3
101.12596	0.6
107.08570	1.0
109.02859	1.0
109.10162	10.5
111.11704	2.7
119.04958	4.4
119.08562	1.4
127.14552	0.8
135.11708	4.4
136.11230	1.1
136.37408	0.7
137.09605	3.8
140.51134	0.6
147.04402	8.2
152.14317	1.3
153.05551	1.0
153.12697	0.9
153.13863	2.9
154.12263	100.0
171.14914	43.2
172.13283	0.9
175.03879	16.0
177.05464	0.9
182.15329	1.0
195.18411	0.7
196.16956	20.7
198.14917	2.2
207.06532	18.0
213.19603	4.8
238.08603	0.7
277.08514	1.1
291.07611	8.3
308.91666	0.6
315.01846	0.7
323.11179	0.8
333.25473	5.4
334.23752	3.8
337.10583	3.6
351.10126	5.0
351.26434	14.6
352.24854	1.4
369.13461	7.1
369.27487	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45988	1.4
55.05513	2.2
56.05047	2.8
56.25999	1.3
58.06595	1.6
67.05515	15.7
68.35347	1.5
69.07079	11.8
71.04984	1.8
79.05500	7.3
81.07051	10.6
83.08617	10.9
91.05470	7.5
93.07034	13.4
95.04992	1.9
95.08613	14.0
97.06533	2.4
97.10150	2.7
99.08047	2.3
105.07032	2.5
107.08586	10.3
109.06509	2.0
109.10154	17.1
111.08105	8.1
111.11671	1.8
117.06977	2.2
119.04903	1.8
119.08588	8.1
121.06534	1.8
121.10123	4.0
128.10715	2.9
131.05011	1.6
133.10152	7.1
135.08043	2.3
135.11711	3.8
137.06013	1.7
137.09579	3.2
139.07515	10.0
141.65584	2.0
145.02844	7.5
147.11682	7.1
152.19536	1.7
153.12703	2.7
153.13858	3.0
154.12263	100.0
156.10208	9.0
161.13220	2.8
167.06984	2.1
171.14923	43.0
173.13300	2.4
174.11284	2.0
175.03897	8.4
177.05493	20.1
182.15419	18.3
187.07758	2.3
199.18059	2.0
201.05515	3.9
207.06494	8.0
235.78853	1.9
289.21625	10.9
309.11331	2.0
316.22574	2.1
317.20972	6.5
323.26996	16.1
333.25269	3.7
334.23788	3.9
337.10422	3.1
351.11957	2.2
351.26337	31.7
352.24841	6.5
354.09363	3.0
369.13086	30.3
369.27420	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.4
57.77966	1.3
62.90038	1.3
66.68294	1.5
67.05508	14.8
69.07064	6.4
69.71821	1.3
71.36278	1.5
71.79864	1.4
79.05500	8.7
81.07059	23.8
83.08625	8.4
85.99831	1.4
86.02763	1.4
91.05475	14.2
91.82301	1.5
93.07040	15.9
95.08609	18.5
97.06522	2.7
97.10172	6.4
105.07019	12.5
107.04971	2.6
107.08590	13.2
109.10166	10.0
111.08078	2.2
117.07030	6.5
119.08583	18.7
121.06491	3.1
121.10170	20.9
123.08041	2.7
123.11673	2.2
131.08582	13.5
133.10138	20.3
135.08087	5.7
135.11685	14.7
137.09602	3.9
143.08548	1.7
145.02878	8.0
145.10165	15.7
147.11693	21.2
149.09628	9.5
149.13303	2.6
154.12288	13.0
157.10164	2.0
159.11661	17.5
161.13252	11.2
163.11157	9.8
170.11812	2.0
171.11700	6.4
173.13274	12.2
175.11134	2.9
175.14810	3.6
177.05496	12.7
177.12695	3.7
182.15306	1.8
185.13237	3.7
187.14790	11.1
189.12772	3.1
191.14267	3.6
196.16995	8.7
205.16022	1.7
206.07970	1.7
207.13811	2.3
208.55458	1.9
213.19717	1.8
225.16229	1.8
243.21049	6.7
253.19496	7.7
261.22064	3.9
271.20532	17.9
288.23190	19.2
289.21616	79.5
301.08200	1.6
305.25806	8.8
306.24240	23.1
316.22702	3.7
323.26907	100.0
325.09119	10.9
333.25375	21.4
334.23456	1.7
341.08386	2.2
351.26410	75.4
352.24811	9.2
353.08365	3.1
354.09256	3.8
369.11465	30.3
369.27362	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22418	4.7
54.62371	4.0
56.05030	6.2
57.07081	54.4
58.75723	4.6
60.04527	8.2
67.05506	24.3
69.07066	10.7
71.08623	21.8
77.38568	4.5
79.05478	7.2
81.07044	36.4
83.00879	4.2
83.08594	6.7
85.10162	6.6
91.05492	6.4
92.55856	5.3
93.07027	23.7
95.08606	28.1
97.10180	8.1
100.54324	5.2
106.05032	29.2
107.08607	8.0
109.10152	7.0
121.10129	32.1
133.79391	5.7
135.11688	7.6
138.12788	64.6
143.54202	5.5
149.13219	8.7
154.12250	83.7
171.14894	24.4
177.05449	10.1
181.12253	5.3
181.80380	5.1
182.15427	30.6
184.13383	62.3
184.20618	7.8
186.22148	53.9
231.15913	5.5
307.26190	7.5
324.29086	45.3
324.32260	6.9
333.24429	6.0
351.26212	8.9
352.32031	40.4
369.27075	32.9
369.35016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	4.2
62.90327	1.6
65.39864	1.8
66.96574	1.9
67.05502	2.8
69.07085	2.4
71.08640	3.1
77.00560	1.7
81.07061	4.8
83.08620	2.7
85.10171	2.3
86.06072	26.7
87.04468	4.0
87.06398	13.7
88.06503	3.4
95.08584	4.6
97.10133	2.8
106.07536	2.4
107.08607	8.5
109.07661	2.7
123.01865	2.1
125.09594	3.3
128.90372	2.2
135.08066	3.5
153.09186	2.9
172.40182	2.1
200.23729	100.0
324.29050	4.4
324.32263	15.0
352.32028	23.1
369.30911	5.0
369.34808	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37907	0.8
58.06588	1.6
60.02180	1.0
65.03873	1.0
81.03445	1.4
85.02883	1.2
91.05473	1.3
99.04490	1.2
111.27014	0.9
116.74612	1.0
119.04939	1.9
120.05288	1.1
137.05885	1.0
160.03951	2.0
163.07506	2.4
165.05467	5.8
175.03952	5.5
176.04192	5.2
176.36716	1.2
178.04955	28.0
190.08501	1.3
190.10005	1.6
191.09428	2.2
193.89914	1.1
206.04518	1.4
207.06610	4.3
208.06877	7.9
208.10966	1.4
213.78888	1.1
252.06519	2.0
263.05814	1.6
264.06506	2.6
265.07391	1.5
265.33572	1.2
267.08740	1.1
278.08069	8.4
279.08871	1.1
280.06027	5.1
281.06805	1.5
284.09094	11.1
291.05264	1.4
292.05905	6.7
297.09827	1.7
306.07501	7.3
308.05600	10.3
309.06433	2.0
309.09979	1.3
310.10663	2.2
312.08710	32.2
312.12277	2.2
319.04767	2.2
323.07901	6.0
326.10287	9.1
327.11011	27.0
334.07108	7.6
336.04987	2.5
337.05887	9.5
338.10217	11.5
340.08130	15.2
352.08124	67.1
354.09811	2.5
355.10474	33.6
355.14392	2.8
370.08994	30.4
370.12802	100.0
370.16504	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71894	0.6
72.99250	0.8
81.07055	1.1
95.08588	0.8
125.05952	5.8
153.05496	3.0
165.01813	7.8
174.05507	35.9
190.08653	1.7
211.30093	0.8
280.06107	4.2
292.09763	3.9
294.08066	1.0
308.05548	1.8
309.06638	1.1
309.10034	3.3
310.07394	1.8
310.10748	6.9
312.08682	5.9
326.10217	7.0
327.10907	4.1
337.05789	1.1
338.06570	100.0
342.13382	16.1
352.08102	1.1
352.11957	1.4
355.10794	0.9
370.08920	4.6
370.12857	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11955	0.4
65.94396	0.4
71.59930	0.4
71.65402	0.4
72.23067	0.5
148.04701	0.5
157.88423	0.5
160.03909	5.8
165.05467	9.0
172.30501	0.5
175.03925	2.0
176.04274	2.0
178.04988	47.2
206.04489	3.3
207.06641	2.4
208.06889	2.1
213.18190	0.5
235.06187	1.7
236.07089	2.1
237.07787	0.6
248.07126	0.7
250.08691	0.6
252.06491	4.2
253.07353	0.8
263.05765	2.8
264.06512	4.9
265.07318	3.3
277.07376	1.1
278.08099	8.8
279.08691	0.9
280.06039	8.6
280.09222	1.0
281.06781	5.5
291.05209	7.2
292.06018	9.4
293.06818	1.0
294.07489	0.6
296.05438	0.9
306.07559	8.9
307.04825	0.7
307.08463	0.6
308.05490	15.8
308.08826	1.0
309.06284	4.5
319.04733	5.7
320.05573	1.1
323.08185	0.6
324.12183	1.0
334.07162	8.5
335.07932	0.8
336.04956	5.5
337.05804	15.3
338.06635	0.7
338.13794	6.0
339.14581	0.8
352.08118	100.0
361.95822	0.6
370.09171	58.8
370.16129	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75439	0.7
59.16780	0.6
82.41461	0.8
100.03994	0.7
110.96500	1.0
127.17924	0.7
145.02823	1.1
146.03186	3.3
148.04726	0.8
160.03926	5.0
162.03001	0.8
165.05446	9.1
168.24756	0.9
176.04227	1.5
177.05482	2.0
178.04913	44.8
188.07137	1.0
188.49861	0.8
206.04448	3.2
208.06799	1.5
224.07195	1.6
225.07829	1.9
235.06274	0.9
239.09456	1.9
250.08661	1.5
252.06572	3.9
253.07460	1.5
263.05649	1.6
264.06680	5.5
265.07254	1.2
266.08145	3.4
277.07495	1.1
278.08127	10.3
279.08939	4.6
280.06064	9.1
280.08856	1.1
281.06836	5.4
291.05298	6.2
292.06012	8.0
294.07584	27.1
296.05576	15.7
306.07693	11.0
307.08365	12.5
308.05533	14.2
309.06250	4.9
319.04831	5.5
320.05630	1.9
320.09097	12.1
322.07169	0.9
323.07834	0.9
324.08511	1.2
326.10181	4.3
334.07068	10.8
335.07767	0.9
336.04913	5.4
337.05765	12.6
338.06613	12.6
352.08124	100.0
370.09186	98.3
370.16635	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55036	1.8
74.52053	1.8
81.07082	2.2
135.04367	1.9
149.05974	3.6
160.65724	2.0
176.04213	3.0
176.06999	3.2
207.06480	3.6
208.06924	3.8
228.06464	2.0
256.06046	13.7
264.06537	2.2
266.08136	3.3
278.08154	4.7
281.06769	22.1
282.07431	3.3
285.07761	3.0
286.10760	2.7
296.05569	12.5
296.09183	2.2
299.07950	3.7
309.06677	2.4
310.07059	25.7
314.10172	29.0
324.08710	22.1
325.09415	13.9
342.09738	100.0
342.13358	4.7
352.08188	35.9
370.09064	65.9
370.12668	5.8
370.20105	2.5
370.25775	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29758	0.6
57.03445	0.8
65.46186	0.6
76.29931	0.6
81.07055	1.0
82.60147	0.6
87.90672	0.6
91.05450	0.8
93.07036	0.9
95.08598	0.8
111.04450	3.9
118.09250	0.8
121.10162	0.9
122.10474	0.7
128.41924	0.7
128.45375	0.7
135.07967	0.8
137.05974	17.5
138.06334	10.7
140.67351	1.0
146.09213	0.6
176.07063	4.5
177.01817	17.8
177.05446	0.8
178.02165	11.4
179.02301	12.4
189.07831	0.8
190.04977	4.3
204.06546	10.9
206.04471	100.0
224.76883	0.7
232.06033	3.0
232.17880	0.9
234.03943	28.3
236.07083	1.0
250.18675	0.9
266.08078	8.9
268.09641	0.8
277.17944	1.1
278.18286	9.3
292.09381	0.9
294.07578	32.1
296.19394	1.6
307.08405	3.0
310.10593	3.0
324.08606	34.0
340.10693	3.0
342.09619	1.1
342.13437	3.0
352.08075	2.8
352.21906	7.4
355.13281	1.4
370.09039	26.9
370.12811	3.0
370.16263	2.2
370.22961	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29758	0.6
57.03445	0.8
65.46186	0.6
76.29931	0.6
81.07055	1.0
82.60147	0.6
87.90672	0.6
91.05450	0.8
93.07036	0.9
95.08598	0.8
111.04450	3.9
118.09250	0.8
121.10162	0.9
122.10474	0.7
128.41924	0.7
128.45375	0.7
135.07967	0.8
137.05974	17.5
138.06334	10.7
140.67351	1.0
146.09213	0.6
176.07063	4.5
177.01817	17.8
177.05446	0.8
178.02165	11.4
179.02301	12.4
189.07831	0.8
190.04977	4.3
204.06546	10.9
206.04471	100.0
224.76883	0.7
232.06033	3.0
232.17880	0.9
234.03943	28.3
236.07083	1.0
250.18675	0.9
266.08078	8.9
268.09641	0.8
277.17944	1.1
278.18286	9.3
292.09381	0.9
294.07578	32.1
296.19394	1.6
307.08405	3.0
310.10593	3.0
324.08606	34.0
340.10693	3.0
342.09619	1.1
342.13437	3.0
352.08075	2.8
352.21906	7.4
355.13281	1.4
370.09039	26.9
370.12811	3.0
370.16263	2.2
370.22961	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09494	1.3
56.05043	1.5
56.52560	1.3
109.10131	2.1
154.12227	13.4
175.03899	15.4
179.03360	8.0
182.15356	7.4
183.15721	8.1
190.04930	2.0
192.06459	2.6
193.40846	1.2
206.11829	1.5
278.04498	6.2
281.06894	6.5
282.07840	3.7
293.06683	1.4
295.04742	2.1
306.07916	1.7
307.04645	7.0
307.08160	1.3
308.05527	2.0
309.06345	11.2
310.07019	5.3
323.04202	2.7
324.05170	3.3
324.08578	9.2
325.07077	3.2
327.07394	3.0
334.07050	11.3
337.05756	5.8
338.06635	12.8
339.07294	6.2
340.04141	4.3
342.09683	4.4
342.13315	7.4
352.08133	19.0
354.06000	8.4
355.06659	4.8
370.09119	100.0
370.12921	7.1
370.27316	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47132	0.8
54.95264	0.9
60.98302	0.9
62.71690	1.0
72.10732	1.1
74.00047	0.9
78.42994	0.8
103.11186	1.1
146.13742	1.2
147.04402	1.9
149.05978	1.4
151.03943	2.0
174.05505	24.3
175.03894	1.3
208.06848	1.7
220.05928	1.4
221.06105	1.2
249.05513	1.6
266.07953	2.5
276.06351	3.8
278.07993	1.9
280.06357	1.4
280.09653	1.8
281.06815	2.3
292.06058	1.4
294.07724	2.0
296.09094	10.4
306.07532	2.1
306.13184	1.3
308.05542	1.8
309.06314	16.9
320.09033	1.8
322.07074	1.9
323.07983	1.8
324.08603	48.5
336.04794	1.4
337.05774	18.3
350.06546	2.3
352.08121	94.1
370.09180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07218	2.2
61.12138	2.0
70.25457	2.5
121.06467	2.9
148.86386	2.2
157.58629	2.4
173.28352	2.0
291.05289	27.4
294.04083	3.2
306.03958	8.7
308.05524	100.0
319.04831	15.1
320.05487	4.8
322.03433	10.9
324.08618	4.0
336.05042	31.2
337.05807	97.2
352.04102	4.1
352.08127	85.0
370.09146	99.4
370.12756	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11955	0.4
65.94396	0.4
71.59930	0.4
71.65402	0.4
72.23067	0.5
148.04701	0.5
157.88423	0.5
160.03909	5.8
165.05467	9.0
172.30501	0.5
175.03925	2.0
176.04274	2.0
178.04988	47.2
206.04489	3.3
207.06641	2.4
208.06889	2.1
213.18190	0.5
235.06187	1.7
236.07089	2.1
237.07787	0.6
248.07126	0.7
250.08691	0.6
252.06491	4.2
253.07353	0.8
263.05765	2.8
264.06512	4.9
265.07318	3.3
277.07376	1.1
278.08099	8.8
279.08691	0.9
280.06039	8.6
280.09222	1.0
281.06781	5.5
291.05209	7.2
292.06018	9.4
293.06818	1.0
294.07489	0.6
296.05438	0.9
306.07559	8.9
307.04825	0.7
307.08463	0.6
308.05490	15.8
308.08826	1.0
309.06284	4.5
319.04733	5.7
320.05573	1.1
323.08185	0.6
324.12183	1.0
334.07162	8.5
335.07932	0.8
336.04956	5.5
337.05804	15.3
338.06635	0.7
338.13794	6.0
339.14581	0.8
352.08118	100.0
361.95822	0.6
370.09171	58.8
370.16129	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80899	0.8
58.82734	0.6
74.84807	0.6
82.06339	0.7
83.11663	0.7
108.36759	0.8
147.04343	1.0
160.03886	5.2
165.05460	9.0
175.03961	1.6
175.08981	0.7
176.04251	3.2
176.07018	1.1
177.93300	0.8
178.04974	45.1
206.04379	1.1
207.06631	3.0
208.06856	4.9
236.07126	1.2
241.10916	5.1
249.07805	0.9
252.06473	3.8
253.07216	2.7
263.05728	1.5
264.06573	5.3
265.07309	3.0
278.08087	11.6
280.05988	7.7
280.08884	0.7
281.06882	4.9
287.02264	0.8
291.05304	6.7
292.05981	7.4
293.06952	1.0
293.10522	0.8
296.09344	1.0
297.09900	3.1
306.07590	12.0
308.05557	16.8
308.08923	1.4
309.06281	6.8
309.09540	0.9
310.10684	2.7
319.04730	4.4
324.08905	1.0
326.10153	3.9
334.07028	9.5
336.04990	4.7
336.12128	1.0
337.05811	15.4
337.12744	1.0
338.09970	1.0
352.08121	100.0
354.09610	8.2
355.10440	5.9
370.09064	65.6
370.12915	35.3
370.22250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10977	0.8
53.04104	0.8
53.97432	1.1
59.99034	0.8
62.51613	0.9
67.05552	0.9
68.46279	1.1
72.09490	1.1
81.07030	1.7
92.20882	1.2
108.23073	1.3
121.02875	1.6
135.04439	2.2
147.04361	5.6
149.02332	4.8
149.05931	6.1
159.04382	8.7
163.03915	11.1
167.03403	1.4
174.05527	5.9
175.03894	100.0
179.03383	33.2
182.15413	13.0
183.15714	13.1
190.04955	1.5
190.08716	1.3
192.06552	13.8
196.72968	1.2
199.18015	1.2
200.18356	2.1
208.09613	1.5
238.67122	1.1
266.08084	1.8
276.06479	1.5
278.04568	1.7
278.07962	2.6
292.09555	1.6
294.07574	4.7
306.07492	5.6
307.04718	1.7
308.05276	1.4
309.06403	2.0
310.10840	2.1
315.58859	1.4
324.04938	1.9
324.08652	41.2
334.07095	63.6
334.11121	2.3
337.05667	1.2
338.06509	2.3
342.13251	4.4
352.08118	66.2
352.26807	4.5
354.05960	3.9
370.09091	64.1
370.12839	5.8
370.27808	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22016	0.6
54.37313	0.5
54.86494	0.5
54.86755	0.5
55.92812	0.4
69.03413	0.6
76.13136	0.5
81.03409	0.9
93.76750	0.5
102.13927	0.5
111.40729	0.5
113.57257	0.5
119.04978	0.8
120.05292	1.1
120.33738	0.6
147.04372	1.2
148.04723	1.0
160.03955	5.0
165.05479	7.0
175.03883	5.1
176.04272	5.8
178.04993	48.3
206.04520	4.2
207.06529	3.3
208.06837	7.7
235.06305	1.3
236.07014	1.2
248.07068	0.7
249.07951	0.8
252.06590	4.2
253.07323	2.2
263.05801	3.5
264.06506	5.5
265.07355	1.2
271.19962	0.6
277.07358	0.6
278.08188	8.6
279.08878	0.8
280.06079	7.6
280.09247	0.9
281.06885	4.8
291.05258	5.5
292.06027	8.4
293.06989	0.7
296.05603	0.9
306.07523	8.6
307.04770	1.1
307.08261	0.9
308.02075	0.7
308.05518	16.2
308.08713	0.7
309.06302	4.8
310.07132	0.8
319.04715	6.9
320.05707	0.7
323.04199	0.7
334.07123	8.8
335.07697	0.6
336.05148	5.1
337.05771	15.2
338.06531	1.1
347.78745	0.7
352.08127	100.0
370.09171	57.1
370.12585	2.5
370.20010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49218	0.4
78.26741	0.5
100.03623	0.5
119.04926	1.1
135.04453	1.2
144.04442	2.6
146.06009	0.5
147.04323	4.1
149.02341	2.5
149.05981	2.3
151.03923	3.1
174.05484	19.3
174.06879	1.0
175.03873	2.1
175.99028	0.5
176.04204	2.6
190.05055	0.6
192.06529	1.2
207.06511	2.0
207.75322	0.6
208.06857	3.2
220.06001	0.9
221.99699	0.6
249.05339	0.7
264.06549	0.7
265.07156	0.9
266.08124	2.3
276.06503	3.6
278.08102	1.1
280.06134	1.1
280.09674	2.5
281.06836	4.5
292.06006	2.1
294.07629	2.8
296.09152	11.5
306.07529	2.2
307.04980	0.6
308.05518	3.1
308.08850	1.1
309.06271	15.7
320.05664	0.8
322.07166	4.7
323.07837	1.3
324.08643	50.4
334.07025	1.2
337.05746	18.0
337.09628	0.8
350.06613	2.7
352.08118	85.6
370.09161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57407	0.3
60.31238	0.3
60.34788	0.3
62.55127	0.3
67.66726	0.3
95.04948	0.5
95.08606	0.5
102.63251	0.4
104.53802	0.3
106.03081	0.4
121.06500	1.3
132.10178	0.7
147.04475	0.4
157.13402	0.4
176.07065	0.5
190.34691	0.4
198.02458	0.4
198.07602	0.4
207.26381	0.4
208.06877	0.7
224.37033	0.3
256.06012	0.6
281.06961	0.8
296.05716	0.7
308.05734	0.5
310.07275	0.5
312.09912	0.5
314.10260	2.0
324.08719	2.3
324.57974	0.4
340.09592	0.7
342.09653	6.4
352.08160	3.5
352.11099	0.8
352.11938	0.8
368.09442	0.5
370.10699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61672	0.4
68.19289	0.4
69.03409	0.7
85.02918	4.3
85.03352	0.5
92.82481	0.5
97.02887	0.7
109.02854	0.9
127.03933	0.6
127.07545	1.0
128.04973	0.5
130.06529	1.0
137.05972	0.7
146.06012	100.0
158.06024	3.6
160.07555	3.2
162.05525	1.0
165.05499	1.0
173.08073	0.6
178.05846	0.9
184.07593	0.6
184.09087	0.9
188.07072	16.8
190.04973	7.3
208.06059	18.1
212.07045	2.9
212.40779	0.4
267.07962	1.8
283.95358	0.4
294.07535	0.6
296.09131	2.9
298.10635	1.7
308.11459	1.0
311.07910	0.9
326.10199	4.6
326.15411	1.0
340.08197	0.6
370.03876	1.2
370.09271	7.9
370.14197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95229	0.4
55.59713	0.4
58.72100	0.4
62.81031	0.4
71.90671	0.4
75.47828	0.4
78.08703	0.4
82.18583	0.4
85.02882	3.1
87.04498	0.5
90.05553	1.1
97.02898	1.0
97.60834	0.5
99.04469	0.8
109.02872	1.7
118.06491	0.4
128.04948	0.8
130.06532	1.8
141.05516	0.5
146.06012	100.0
158.06026	4.7
160.07564	4.5
177.05443	0.5
178.05797	1.1
184.07576	1.1
184.09018	0.9
188.07069	18.0
190.04968	8.2
208.06061	10.2
208.09723	0.7
212.06970	3.5
221.07550	0.6
267.07956	4.1
308.11206	0.9
315.13528	0.4
326.15308	4.7
352.10358	0.5
370.14651	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
59.52594	0.5
89.96518	0.7
95.08624	1.4
110.03648	1.4
111.04463	1.0
125.05996	11.5
132.12820	0.8
137.02379	1.0
150.25339	0.7
151.68869	0.8
153.05424	9.0
160.03822	1.0
165.01860	9.6
171.87132	0.8
174.05499	40.3
188.07034	0.8
190.04964	1.2
190.08664	3.8
202.05157	1.1
277.98584	0.8
280.06012	5.1
281.10556	0.9
292.09802	3.8
308.05600	4.9
308.08966	1.4
309.09888	3.9
310.07339	1.6
310.10773	8.1
312.08710	6.3
313.10699	0.9
325.80194	0.8
326.10184	17.7
327.11069	4.0
338.06580	100.0
340.08066	0.9
342.13345	15.2
352.11938	1.2
353.29138	1.2
370.09055	4.0
370.12857	48.9
370.17407	1.7
370.31326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1286
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
53.19822	0.4
58.06596	2.6
58.34348	0.4
58.70860	0.4
63.34167	0.4
70.06593	1.1
72.08138	0.5
72.96484	0.5
90.55537	0.4
95.57452	0.5
98.40364	0.5
164.31656	0.5
178.05838	0.7
184.96199	0.5
208.04933	0.7
261.77481	0.5
284.09103	0.9
292.09689	2.2
294.07401	0.8
295.08447	0.5
307.08261	0.5
308.09073	2.2
309.09967	3.4
312.08725	5.4
319.08279	0.7
320.09164	12.9
321.47815	0.5
322.07123	3.9
326.10059	3.8
332.59052	0.6
337.09436	20.0
338.10226	5.4
340.08093	8.7
355.10474	73.6
370.12839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1282
Annotation	6-Hydroxyprotopine
Peak:m/z	Relative Intensity
55.67641	0.6
55.70908	0.6
56.80173	0.5
59.64983	0.6
71.35056	0.6
74.79361	0.6
90.68692	0.6
92.20891	0.6
205.31104	0.7
291.08859	7.2
292.05972	1.3
294.07599	4.3
307.08444	3.4
308.09146	75.3
309.09967	0.9
310.11093	0.9
320.05569	1.4
320.09207	5.7
321.06128	0.8
322.07077	15.6
323.07907	3.4
324.08609	3.9
326.13159	1.0
334.07159	0.9
336.08640	86.1
337.09424	55.4
339.10931	7.6
342.13535	0.9
352.11786	92.4
370.12830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
53.15729	0.7
53.38545	0.8
59.93970	0.8
60.40120	0.8
61.50099	0.8
65.95071	0.8
69.03403	1.1
81.03417	4.3
85.02905	1.3
89.13720	0.9
91.05463	1.2
109.02864	1.2
119.04948	3.6
120.05271	1.8
121.86214	0.9
122.60396	0.9
147.04422	5.6
148.04732	4.8
175.03896	10.3
176.04221	13.2
177.05475	1.5
178.05818	3.6
207.06468	11.3
208.06837	17.0
239.09393	41.8
251.09378	18.2
266.08261	1.3
268.09760	2.2
271.08469	4.7
276.95096	1.2
278.08069	6.0
295.08386	10.4
296.09186	56.8
306.07651	3.8
307.08398	9.2
308.09210	2.2
310.10727	1.9
312.08600	0.9
323.08124	1.0
338.10077	6.3
340.08237	6.0
352.11124	4.3
354.09329	1.2
355.10522	6.3
370.12827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99675	0.6
77.84299	0.6
89.94725	0.5
94.43302	0.7
95.34222	0.5
99.50207	0.6
122.38957	0.6
124.80775	0.5
139.06470	0.7
162.97093	0.5
176.04283	1.0
188.41573	0.6
190.08614	1.5
191.09369	0.8
208.06802	1.1
225.07886	0.9
239.09381	41.2
242.08029	1.2
248.29988	0.6
250.08592	0.9
251.09384	19.5
254.08038	1.1
266.08069	3.3
267.09052	0.8
268.09613	2.6
271.08340	3.9
278.08127	8.1
280.09827	0.9
295.08429	10.9
296.09167	52.6
306.07550	3.2
307.08386	9.8
308.09232	2.5
310.10678	4.0
323.07870	1.1
327.11008	2.5
338.10202	9.3
340.08167	0.9
352.11307	0.7
355.10544	2.7
370.12817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71772	0.9
60.43915	0.9
61.68435	1.0
94.86829	1.0
135.61842	1.1
149.06013	1.2
154.12305	2.0
155.12737	1.6
176.07193	1.7
202.72977	1.1
268.09821	4.4
273.09756	1.3
277.07407	1.1
280.06183	7.9
280.09641	2.1
281.07187	1.4
294.07590	16.9
295.08270	7.5
296.09079	8.0
306.07736	4.1
308.05511	13.3
308.08789	2.0
309.09912	1.7
322.07111	20.3
323.07898	30.2
323.11273	2.0
324.08234	4.7
324.12228	4.4
326.10336	1.9
336.05188	1.5
337.09653	1.7
338.10251	14.7
338.13907	1.2
340.08145	40.0
340.12119	1.6
342.09454	1.2
342.13583	5.1
352.07947	5.8
354.09943	2.1
355.10477	27.1
370.09000	6.1
370.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.128
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
61.24022	0.3
61.32636	0.3
65.51952	0.3
67.85656	0.2
69.64145	0.3
81.69740	0.3
85.77489	0.3
88.11573	0.3
90.07846	0.3
91.05407	0.7
95.08510	0.3
107.08595	0.4
109.10131	0.4
119.04878	0.4
128.14519	0.3
135.04398	0.4
136.05214	1.0
149.05925	1.7
151.07483	0.6
154.12186	0.4
154.60960	0.3
164.04613	0.4
167.06982	0.7
174.05507	0.5
176.07074	2.2
179.05531	0.5
179.07018	11.7
182.15355	0.7
186.05225	0.4
188.06976	0.5
189.07848	5.1
204.06422	0.3
206.08055	1.7
213.81065	0.3
218.52635	0.4
226.47542	0.3
248.07089	1.2
252.10143	0.4
253.11000	0.6
263.09503	0.5
264.10202	1.2
265.08542	0.4
266.08102	1.9
267.10101	0.5
278.08167	4.2
279.06476	0.6
280.09543	2.8
281.10477	5.4
284.09116	1.4
291.08731	2.9
292.09662	27.1
293.07727	0.3
293.10510	3.1
294.07791	4.0
294.11334	0.7
295.08438	0.6
296.08929	0.5
297.11325	2.3
298.10785	0.5
308.09140	6.6
309.06287	0.5
309.09927	20.4
310.10718	51.6
312.08615	24.4
319.08408	2.5
322.10803	2.1
324.08966	0.5
324.12250	2.9
325.10718	0.6
326.10202	5.7
327.10989	23.8
329.14212	1.6
336.08698	1.6
337.09348	2.4
338.10468	0.4
341.12762	0.5
342.13336	100.0
347.15317	2.5
352.08112	1.2
352.11816	7.8
366.60284	0.4
370.12833	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
57.21459	0.3
57.90469	0.3
84.81110	0.3
87.78696	0.3
96.29844	0.3
115.65071	0.3
119.04932	0.6
124.22658	0.4
137.31787	0.3
147.04378	0.5
147.89545	0.3
175.03845	0.6
176.04269	1.8
179.37259	0.3
188.07126	0.4
190.08659	3.2
191.09401	2.1
207.06456	1.3
208.06860	2.2
225.07878	1.4
239.09383	35.0
242.08081	2.0
250.08717	0.5
251.09383	18.1
254.08067	1.3
266.08081	2.1
267.08841	1.4
268.09583	2.8
271.08371	3.4
278.08109	6.7
280.09698	0.6
294.07611	0.4
295.08386	9.0
296.09167	49.5
306.07553	4.6
307.08344	7.8
308.09174	2.2
309.09818	0.4
310.10699	5.0
312.08609	1.5
320.09158	0.4
323.07770	1.9
324.08640	0.5
325.42023	0.4
326.10147	2.4
327.10999	3.1
338.10205	7.7
338.13873	0.6
340.08249	0.8
352.11758	0.5
354.09708	5.5
354.13449	1.0
355.10452	5.2
355.14267	0.7
370.12790	100.0
370.16541	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1283
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
58.06616	0.3
80.60986	0.2
89.65894	0.2
151.07509	0.4
169.40559	0.2
190.08630	1.6
191.09409	0.9
206.08170	0.3
208.09673	3.4
237.05563	0.3
239.09386	29.1
242.08116	1.4
250.08649	1.0
251.09396	14.3
254.08113	1.3
266.08200	1.4
267.09024	1.3
268.09650	2.2
271.08331	3.7
278.08081	5.8
279.09122	0.3
280.09570	0.3
282.11328	0.3
284.09134	3.8
294.07666	0.5
295.08398	8.0
296.09171	43.8
297.09985	0.4
298.10840	1.3
300.08768	0.3
306.07596	4.8
307.08389	7.3
308.09122	2.5
309.10080	0.3
310.10672	2.9
311.11609	0.5
312.08664	9.9
322.10535	0.9
323.07864	3.2
325.09586	0.2
326.10336	2.9
327.11008	10.4
334.49594	0.3
338.10211	8.7
338.13910	0.3
340.08115	4.5
340.11774	0.5
352.11618	0.9
354.13498	0.3
355.10486	10.7
355.14246	1.1
370.12793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	6-Hydroxyprotopine
Peak:m/z	Relative Intensity
52.63351	0.8
55.78203	0.6
56.34262	0.8
58.24403	0.8
61.69647	0.7
64.88672	0.8
81.07034	1.5
85.02896	0.9
93.07040	0.9
107.04961	6.5
122.06040	1.3
133.08870	1.7
147.04405	19.8
148.07570	50.2
152.07031	5.3
153.12711	1.4
158.99568	1.2
161.08334	7.9
162.09132	8.8
169.81256	0.9
176.07086	5.0
177.07867	10.0
178.08615	12.6
188.07074	2.2
191.07025	5.9
195.07811	1.3
225.07869	1.2
264.10330	1.2
282.11270	1.3
285.10880	1.5
309.10034	3.6
310.10715	3.9
311.11530	3.9
312.08682	1.8
324.12317	1.6
326.10028	1.8
326.13858	45.9
327.11072	1.5
334.12946	1.9
337.09442	13.7
340.07941	1.2
342.09491	3.4
352.11688	32.7
355.10236	7.4
370.09073	8.0
370.12848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1282
Annotation	6-Hydroxyprotopine
Peak:m/z	Relative Intensity
52.85878	1.1
69.45438	0.9
72.89729	1.0
79.98454	1.1
80.17101	1.2
101.26579	1.3
160.03929	5.2
165.05479	7.6
165.67938	1.3
178.04947	43.4
202.04985	1.2
206.04495	2.4
249.07599	1.3
250.08589	1.5
252.06679	4.1
253.07280	1.4
263.05618	5.1
264.06433	3.0
276.06473	7.6
276.09521	1.5
278.08118	14.3
280.06018	11.7
281.06741	4.3
290.08322	1.5
291.05179	6.0
291.08896	8.1
292.05960	9.7
294.07458	7.2
295.08444	4.1
296.05484	5.3
296.08691	1.4
302.08136	2.4
304.06024	17.7
304.09302	2.5
306.07629	32.9
306.11148	1.9
307.08301	12.4
308.05545	17.4
308.08939	2.2
309.06311	6.8
310.07184	1.4
310.10626	6.1
318.07501	1.4
319.04752	6.1
319.08319	55.6
320.09180	21.8
321.09924	12.6
322.10712	18.7
326.10233	2.1
327.10974	1.9
334.07004	15.7
334.10718	16.5
335.07651	2.1
336.05011	7.7
336.08615	2.2
337.05728	15.8
337.09338	2.4
338.06567	5.0
338.10324	1.5
352.08047	100.0
352.11847	79.6
354.09592	1.5
355.10468	42.7
370.09024	70.8
370.12888	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
60.23525	0.5
60.29387	0.6
68.95821	0.6
79.41845	0.6
104.04048	0.7
112.98080	0.6
126.83007	0.6
144.48621	0.6
167.88629	0.6
169.46916	0.7
190.08722	1.5
191.09373	0.8
204.45781	0.7
208.06876	1.1
208.86899	0.6
239.09418	31.5
245.16339	0.7
251.09392	15.6
266.08200	0.8
267.08859	1.0
268.09686	3.8
271.08188	0.7
278.08096	5.8
280.05972	0.9
284.09155	4.9
293.31985	0.8
295.08417	8.5
296.09183	40.0
297.10123	0.8
298.10693	1.5
306.07587	3.4
307.08411	7.5
308.09161	1.4
310.10852	2.8
312.08655	14.4
315.80637	0.6
323.07999	5.2
326.10168	5.2
327.11011	12.9
338.10196	9.7
340.08173	8.5
355.10489	15.7
355.14609	0.8
356.10477	0.9
370.12851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
51.48288	0.3
70.55989	0.3
72.10822	0.3
86.59215	0.3
97.02896	0.4
102.05563	0.3
102.73559	0.4
121.05363	0.3
188.07098	0.6
190.08617	0.6
191.03337	0.4
208.09718	2.1
239.09471	0.4
240.06618	1.4
280.09702	2.0
289.05219	0.4
294.07642	1.9
304.54675	0.4
306.05066	0.5
308.09219	0.7
309.10065	0.5
310.10678	3.9
319.04663	0.6
319.08380	14.6
322.07092	46.6
324.08740	1.4
326.13907	0.6
337.09503	5.5
342.09988	0.4
346.33905	0.4
355.10434	0.6
370.09183	5.8
370.12881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1286
Annotation	6-Hydroxyprotopine
Peak:m/z	Relative Intensity
52.10913	1.4
56.56097	1.3
66.69862	1.4
72.33324	1.9
90.57607	1.5
94.43245	1.5
109.51066	1.7
114.20477	1.8
138.02051	1.8
172.03926	1.9
190.05042	2.7
190.08577	17.8
238.21628	6.8
290.21179	7.6
291.08878	3.4
294.07870	2.2
297.07672	2.0
302.28943	2.0
308.09180	41.2
320.09244	3.4
322.07071	8.5
324.08875	2.8
326.10126	9.0
336.04608	2.5
336.08636	50.1
337.09436	35.7
339.10852	8.8
342.13391	29.3
352.07913	2.1
352.11777	43.2
370.12848	100.0
370.26880	2.6
379.47946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1283
Annotation	Fumarofine
Peak:m/z	Relative Intensity
50.50092	2.7
59.61454	3.6
67.86412	3.3
68.70155	3.4
93.07030	4.0
95.08571	4.3
135.34663	3.2
140.17868	3.5
154.12157	5.2
183.15733	6.5
190.08612	23.6
205.10841	4.9
206.11804	4.7
267.10040	5.8
310.10654	5.9
312.08765	4.7
322.06116	40.3
324.12088	4.4
324.27682	4.4
326.10233	23.1
327.11072	9.3
337.08490	23.8
342.09579	7.2
342.13373	100.0
352.07358	6.1
352.11646	27.2
370.09070	20.0
370.12970	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
61.37444	1.4
80.98837	1.2
149.06018	1.5
170.06694	1.2
176.07010	2.1
181.90292	1.1
189.07874	6.0
209.28142	1.1
252.09866	1.5
252.56493	1.4
262.92178	1.6
263.10947	1.3
267.70602	1.2
278.08093	5.4
280.09631	1.3
280.73657	1.2
281.10519	6.5
291.08768	2.1
292.09677	27.0
294.07962	2.4
294.21942	1.5
308.09167	6.6
309.09946	16.9
310.07352	2.4
310.10739	47.5
312.08578	26.9
326.10291	6.3
327.10941	24.6
336.76291	1.3
342.13345	100.0
352.11807	6.1
370.12860	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1284
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
54.99675	0.6
77.84299	0.6
89.94725	0.5
94.43302	0.7
95.34222	0.5
99.50207	0.6
122.38957	0.6
124.80775	0.5
139.06470	0.7
162.97093	0.5
176.04283	1.0
188.41573	0.6
190.08614	1.5
191.09369	0.8
208.06802	1.1
225.07886	0.9
239.09381	41.2
242.08029	1.2
248.29988	0.6
250.08592	0.9
251.09384	19.5
254.08038	1.1
266.08069	3.3
267.09052	0.8
268.09613	2.6
271.08340	3.9
278.08127	8.1
280.09827	0.9
295.08429	10.9
296.09167	52.6
306.07550	3.2
307.08386	9.8
308.09232	2.5
310.10678	4.0
323.07870	1.1
327.11008	2.5
338.10202	9.3
340.08167	0.9
352.11307	0.7
355.10544	2.7
370.12817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
54.32306	1.9
60.56473	1.7
71.08632	2.0
81.07096	2.3
91.05496	2.7
97.84975	2.0
103.01611	2.0
110.10498	2.4
114.31103	2.4
121.06475	2.1
133.28291	2.4
189.07877	3.7
265.14874	2.0
278.21704	3.3
281.10565	4.1
292.09665	20.7
293.07813	3.5
294.08945	4.5
308.08987	4.4
309.09796	10.8
310.10760	42.4
312.08710	19.6
321.05865	14.1
322.06058	59.3
325.10675	2.7
327.10977	20.7
335.08017	2.9
336.08334	8.2
337.08398	47.3
340.07062	10.1
342.13339	99.7
342.17224	4.7
352.11029	12.4
352.25577	8.8
355.09610	9.1
370.12424	100.0
370.26596	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1283
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
53.46545	0.6
56.89523	0.6
66.93069	0.7
79.05514	1.0
81.07066	1.1
92.20944	1.8
93.07046	1.2
110.94801	0.7
111.86674	0.7
146.34029	0.7
149.05954	1.0
167.07060	1.2
176.07068	3.2
189.07860	6.2
220.07339	0.7
240.62271	0.9
244.78214	0.8
266.08072	1.8
273.59082	0.8
278.08093	4.5
278.11398	0.8
280.09637	1.9
281.10413	4.7
284.08963	1.0
291.08850	1.0
292.09665	27.8
293.10370	5.6
294.07837	5.1
306.11252	0.9
308.09079	12.3
309.06696	1.2
309.09979	18.0
310.10751	47.2
312.08682	25.7
312.12167	1.6
322.10693	1.7
323.11478	1.3
324.12271	6.1
326.10123	8.1
327.11047	20.0
329.12134	1.8
336.08661	4.4
337.09381	1.9
340.10733	1.1
340.22531	0.9
341.12524	4.5
342.13351	62.3
352.07993	1.3
352.11826	5.9
370.12805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1282
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
52.63100	0.2
70.10390	0.3
72.18494	0.3
85.02885	0.3
86.21490	0.2
93.46201	0.3
111.38524	0.3
169.06790	0.3
266.08057	0.3
268.68558	0.3
294.07666	2.3
294.11304	1.5
295.08383	1.7
296.05560	1.3
296.09033	1.1
297.09970	0.3
306.07703	1.6
307.08447	1.5
308.09229	0.6
310.10770	3.8
323.08047	0.3
324.12210	0.5
326.10339	2.5
327.11020	4.0
337.09637	0.5
338.06516	1.3
338.09937	0.9
352.11908	1.5
354.09613	1.3
355.10495	55.9
370.12845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1286
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
58.06593	0.4
65.71555	0.3
86.09737	0.3
88.65033	0.4
106.02892	0.6
112.05046	0.4
124.03954	1.5
132.45908	0.3
148.04657	0.4
148.57472	0.4
160.00873	0.3
164.91324	0.3
175.03967	0.4
176.04155	0.4
177.05495	0.8
178.05894	0.5
208.06894	1.4
278.08102	1.5
280.05811	0.4
281.06857	0.5
294.08054	0.9
294.11203	5.5
295.08353	2.0
296.09097	1.7
306.07590	2.8
307.08310	4.3
308.09222	0.5
309.06226	0.6
310.10733	4.1
311.11505	1.6
322.07114	0.7
324.08667	0.7
326.10184	2.4
327.10956	4.4
334.06738	0.4
337.05807	0.8
337.09439	0.6
338.10233	3.1
339.11017	0.5
340.08115	0.5
352.08090	5.2
352.11847	2.7
354.09662	1.4
355.10483	50.5
370.12790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15989	0.4
58.06610	1.3
69.03436	0.8
70.06584	0.7
85.02926	0.6
110.07163	0.8
119.04973	0.7
122.70342	0.5
127.03917	0.8
130.51471	0.5
147.04431	3.8
148.04822	0.9
148.07545	7.3
162.09134	1.1
175.03920	2.3
176.04257	2.8
176.07080	1.0
177.07881	1.4
178.08571	2.7
207.06537	4.2
208.06828	4.4
266.08121	0.8
280.09540	1.5
281.10406	2.7
282.08020	0.9
282.11237	2.7
284.09067	6.3
291.08829	5.8
294.07571	2.7
309.10049	6.2
311.11658	0.8
312.08636	26.9
320.09216	1.4
326.10352	1.7
326.13919	6.1
327.11008	12.3
337.09390	10.0
338.10275	0.7
340.08194	7.1
352.11545	4.3
355.10501	54.8
370.12833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32306	1.9
60.56473	1.7
71.08632	2.0
81.07096	2.3
91.05496	2.7
97.84975	2.0
103.01611	2.0
110.10498	2.4
114.31103	2.4
121.06475	2.1
133.28291	2.4
189.07877	3.7
265.14874	2.0
278.21704	3.3
281.10565	4.1
292.09665	20.7
293.07813	3.5
294.08945	4.5
308.08987	4.4
309.09796	10.8
310.10760	42.4
312.08710	19.6
321.05865	14.1
322.06058	59.3
325.10675	2.7
327.10977	20.7
335.08017	2.9
336.08334	8.2
337.08398	47.3
340.07062	10.1
342.13339	99.7
342.17224	4.7
352.11029	12.4
352.25577	8.8
355.09610	9.1
370.12424	100.0
370.26596	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1279
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
58.06602	1.5
64.41952	0.3
65.72372	0.4
67.52332	0.4
70.06565	0.7
71.80655	0.3
75.77172	0.4
85.02878	0.5
98.06075	0.7
116.07102	0.8
131.04938	0.5
146.06020	0.8
151.07561	4.5
156.91742	0.4
177.05536	0.5
187.31982	0.4
190.04997	3.6
190.08675	0.7
208.05905	0.9
208.09656	15.4
208.11447	0.8
229.26074	0.5
266.08109	0.6
284.09399	0.5
292.09671	2.1
294.07465	0.7
308.09161	0.6
309.10080	3.8
310.10709	0.9
312.08701	4.7
319.08414	5.2
320.09137	9.6
322.07074	17.0
326.10440	3.4
337.09384	16.4
338.10114	5.8
340.08173	6.5
350.04590	0.5
354.09821	0.5
355.10480	57.1
370.12817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.128
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
78.52091	0.3
85.36445	0.3
190.08565	1.5
191.09433	0.7
206.08261	0.4
239.09378	19.3
250.08713	0.4
251.09404	10.9
254.08145	1.4
263.40106	0.4
266.08151	1.7
267.08929	0.8
268.09775	2.9
271.08374	2.8
278.08105	4.2
279.08984	0.5
284.09137	8.3
294.07504	0.7
295.08432	6.8
296.09161	28.4
297.10071	1.8
297.65887	0.4
298.10886	3.7
300.08624	0.7
306.07623	2.6
307.08405	5.1
308.09213	1.9
309.10025	0.5
310.10745	2.1
311.07962	0.7
312.08621	23.0
323.07849	4.5
326.10196	4.9
327.10986	20.2
338.10263	7.7
340.08127	12.9
340.11829	0.5
355.10483	22.8
370.12811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1283
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
58.71772	0.9
60.43915	0.9
61.68435	1.0
94.86829	1.0
135.61842	1.1
149.06013	1.2
154.12305	2.0
155.12737	1.6
176.07193	1.7
202.72977	1.1
268.09821	4.4
273.09756	1.3
277.07407	1.1
280.06183	7.9
280.09641	2.1
281.07187	1.4
294.07590	16.9
295.08270	7.5
296.09079	8.0
306.07736	4.1
308.05511	13.3
308.08789	2.0
309.09912	1.7
322.07111	20.3
323.07898	30.2
323.11273	2.0
324.08234	4.7
324.12228	4.4
326.10336	1.9
336.05188	1.5
337.09653	1.7
338.10251	14.7
338.13907	1.2
340.08145	40.0
340.12119	1.6
342.09454	1.2
342.13583	5.1
352.07947	5.8
354.09943	2.1
355.10477	27.1
370.09000	6.1
370.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1282
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
51.66277	0.3
58.06594	0.4
66.99696	0.4
80.46658	0.4
84.34129	0.4
88.11339	0.4
136.06148	0.4
174.09041	0.5
184.44000	0.4
190.08641	3.7
191.09372	4.1
193.27411	0.5
206.08110	0.8
206.11794	0.7
239.09387	40.1
242.07904	0.8
250.08698	0.7
251.09378	19.3
254.08174	1.1
255.13177	0.5
266.08096	1.8
267.08893	0.6
268.09543	3.7
271.08316	4.9
278.08075	9.1
280.09747	1.0
295.08377	10.3
296.09152	56.1
306.07706	5.0
307.08359	9.0
308.09140	4.0
310.10638	2.4
312.08527	0.5
323.07846	2.8
327.10910	2.4
338.10272	8.9
338.13889	1.1
340.08084	0.6
340.11807	1.1
355.10468	2.2
370.12787	100.0
387.68930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.9
56.68534	1.2
60.08171	42.4
65.62984	1.1
65.72635	1.3
69.07072	1.8
77.72187	1.3
83.04952	1.9
91.81970	1.2
95.04983	1.9
95.06079	2.5
97.02855	1.3
97.06512	1.8
109.07620	1.9
112.05006	1.2
121.06503	30.5
123.04430	1.5
125.01701	8.6
126.02496	7.0
127.03217	62.4
138.09135	11.4
141.05501	82.4
143.02760	5.5
146.06010	6.6
162.66096	1.4
184.09067	1.8
185.09798	10.3
208.09694	2.1
221.07407	10.4
233.09294	1.8
239.08459	24.5
249.06897	2.2
251.23961	1.5
266.66574	1.6
267.07974	90.2
267.17117	6.9
283.07431	46.2
293.06042	2.3
294.24481	1.4
311.07025	9.3
326.15302	97.4
326.24393	2.6
332.09390	1.5
352.21683	1.7
366.81458	1.5
370.14371	100.0
370.23441	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78356	0.4
63.70953	0.4
69.03422	0.5
79.11405	0.4
81.03394	0.5
85.02895	0.6
91.05463	1.0
98.06032	0.5
99.04444	0.4
110.06017	1.9
119.04933	0.9
120.08077	0.7
133.85637	0.4
142.75468	0.4
151.07529	17.3
176.04593	4.4
177.05501	0.6
190.04903	0.7
192.08582	0.5
193.07347	0.6
208.07320	5.7
208.09683	100.0
213.07797	0.7
226.47597	0.5
236.05406	0.7
240.06537	5.3
270.07614	0.4
301.11731	0.7
312.08508	0.5
324.08560	0.7
342.09741	0.8
347.12274	0.6
352.13824	2.1
370.08392	8.5
370.13162	4.3
370.13239	4.3
377.49582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40811	0.2
55.42958	0.3
55.86623	0.2
70.43226	0.3
78.59220	0.3
84.08124	0.4
98.96439	0.3
129.10300	0.4
177.02048	0.3
193.07341	19.6
208.09682	100.0
370.15060	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1642
Annotation	Setigerine
Peak:m/z	Relative Intensity
50.76577	0.7
69.94669	0.8
71.03995	0.8
92.21431	1.0
106.02853	0.9
115.60027	0.8
121.06513	0.8
124.03976	1.0
135.04370	0.8
145.02835	4.7
146.03212	7.2
147.04375	1.3
149.06012	1.4
151.07536	4.4
153.09161	1.5
165.09138	5.6
166.06288	1.8
175.03906	1.4
176.04192	1.7
177.05431	11.3
178.05803	15.6
181.08635	9.5
188.07068	38.9
188.93452	0.8
189.07846	19.8
190.08641	3.4
191.07109	3.3
192.10187	1.0
206.08127	12.7
206.11795	1.0
207.06587	1.3
208.06830	1.5
239.09334	1.9
241.12149	1.1
269.11417	1.1
278.09216	1.0
281.11752	1.0
290.09390	13.4
291.09827	1.3
306.08401	1.4
307.08408	1.5
309.11313	1.0
310.10690	16.2
311.12509	1.1
319.08359	3.7
320.09326	1.5
322.10779	1.9
334.10556	1.7
336.12265	3.9
338.13806	3.2
352.11652	5.0
352.15399	9.6
370.12650	51.5
370.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1652
Annotation	Setigerine
Peak:m/z	Relative Intensity
67.03050	0.7
73.32170	0.9
81.61414	0.8
90.74800	0.8
149.05978	3.6
151.07567	5.0
153.09140	1.0
165.09099	6.6
166.06172	1.0
175.03908	1.2
177.07950	1.0
178.08585	1.1
179.07246	0.9
181.08583	9.5
188.07074	42.6
189.07825	17.4
190.08636	3.1
191.06981	3.1
192.10161	1.5
198.34543	1.1
206.08139	14.7
207.06479	1.3
208.06825	3.1
240.85667	0.8
265.12448	0.8
283.09561	1.3
290.09378	14.0
291.10065	0.9
294.14777	1.1
306.08759	3.2
307.08472	3.1
311.13043	0.9
320.09213	1.8
327.12027	1.1
336.12335	3.7
337.12964	1.6
352.15488	6.5
370.16492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.165
Annotation	Cryptopine
Peak:m/z	Relative Intensity
72.83537	0.6
86.99914	0.6
99.59619	0.6
104.92874	0.6
135.04407	1.1
140.70340	0.6
144.34142	0.6
149.05988	3.4
151.02893	0.6
151.07523	3.4
153.09105	1.4
165.09108	6.1
166.06268	3.3
176.07234	0.7
177.07875	0.7
178.08627	0.6
181.08580	7.7
188.07062	45.6
189.06432	0.8
189.07848	20.8
189.09419	1.2
190.08667	3.2
191.07011	2.9
204.10214	0.7
206.08141	14.1
206.11774	2.7
207.06564	0.8
279.09222	0.7
280.10971	0.7
283.09412	0.7
290.09387	14.2
294.14938	2.5
299.13000	0.6
306.08734	2.7
307.08371	3.0
309.11182	1.2
310.10696	0.9
311.12714	0.8
319.08493	1.1
320.09192	4.8
320.12833	1.2
321.10919	2.0
322.10669	1.1
322.14432	1.0
336.12256	3.8
337.12970	3.3
339.12106	1.2
350.13828	1.1
352.11560	2.5
352.15445	8.5
370.12885	5.0
370.16486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1641
Annotation	Setigerine
Peak:m/z	Relative Intensity
56.06046	0.4
57.01935	0.5
63.57403	0.5
64.19940	0.4
67.82474	0.5
69.67133	0.6
81.02562	0.6
135.04419	1.1
149.05981	2.4
151.07535	3.5
153.09109	2.0
155.18712	0.5
158.88625	0.5
159.04393	0.5
161.05980	0.5
162.06671	0.5
164.07089	2.6
165.09087	5.2
166.06261	1.3
178.08594	1.1
181.08578	6.2
188.07063	34.7
189.07855	13.9
190.08621	1.3
191.07101	0.6
193.08711	0.6
205.88464	0.7
206.08165	11.3
224.07086	0.7
245.67104	0.6
257.06677	0.6
269.11823	0.6
275.07370	0.5
278.08984	0.7
283.09521	0.7
290.09332	11.3
291.09821	1.0
294.07516	9.9
294.14828	0.6
296.05530	5.4
306.08249	2.2
306.11346	2.0
307.08359	2.1
308.12827	0.7
309.10870	0.9
310.10635	1.1
311.12546	0.7
319.08292	2.2
320.09082	2.9
322.10721	3.0
322.14200	1.2
323.11453	0.7
324.12195	5.6
326.10101	1.2
336.12320	4.5
337.13181	3.6
338.06686	5.9
338.09915	0.9
338.13779	20.3
339.14639	4.3
340.11517	0.7
342.06705	0.7
352.11642	3.9
352.15439	7.7
355.10284	0.9
370.09180	12.6
370.12848	7.2
370.16479	100.0
386.20856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06046	0.4
57.01935	0.5
63.57403	0.5
64.19940	0.4
67.82474	0.5
69.67133	0.6
81.02562	0.6
135.04419	1.1
149.05981	2.4
151.07535	3.5
153.09109	2.0
155.18712	0.5
158.88625	0.5
159.04393	0.5
161.05980	0.5
162.06671	0.5
164.07089	2.6
165.09087	5.2
166.06261	1.3
178.08594	1.1
181.08578	6.2
188.07063	34.7
189.07855	13.9
190.08621	1.3
191.07101	0.6
193.08711	0.6
205.88464	0.7
206.08165	11.3
224.07086	0.7
245.67104	0.6
257.06677	0.6
269.11823	0.6
275.07370	0.5
278.08984	0.7
283.09521	0.7
290.09332	11.3
291.09821	1.0
294.07516	9.9
294.14828	0.6
296.05530	5.4
306.08249	2.2
306.11346	2.0
307.08359	2.1
308.12827	0.7
309.10870	0.9
310.10635	1.1
311.12546	0.7
319.08292	2.2
320.09082	2.9
322.10721	3.0
322.14200	1.2
323.11453	0.7
324.12195	5.6
326.10101	1.2
336.12320	4.5
337.13181	3.6
338.06686	5.9
338.09915	0.9
338.13779	20.3
339.14639	4.3
340.11517	0.7
342.06705	0.7
352.11642	3.9
352.15439	7.7
355.10284	0.9
370.09180	12.6
370.12848	7.2
370.16479	100.0
386.20856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76577	0.7
69.94669	0.8
71.03995	0.8
92.21431	1.0
106.02853	0.9
115.60027	0.8
121.06513	0.8
124.03976	1.0
135.04370	0.8
145.02835	4.7
146.03212	7.2
147.04375	1.3
149.06012	1.4
151.07536	4.4
153.09161	1.5
165.09138	5.6
166.06288	1.8
175.03906	1.4
176.04192	1.7
177.05431	11.3
178.05803	15.6
181.08635	9.5
188.07068	38.9
188.93452	0.8
189.07846	19.8
190.08641	3.4
191.07109	3.3
192.10187	1.0
206.08127	12.7
206.11795	1.0
207.06587	1.3
208.06830	1.5
239.09334	1.9
241.12149	1.1
269.11417	1.1
278.09216	1.0
281.11752	1.0
290.09390	13.4
291.09827	1.3
306.08401	1.4
307.08408	1.5
309.11313	1.0
310.10690	16.2
311.12509	1.1
319.08359	3.7
320.09326	1.5
322.10779	1.9
334.10556	1.7
336.12265	3.9
338.13806	3.2
352.11652	5.0
352.15399	9.6
370.12650	51.5
370.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1648
Annotation	7-Hydroxy-dehydroglaucine
Peak:m/z	Relative Intensity
51.24973	0.5
58.06608	96.2
60.96792	0.6
90.54306	0.5
90.64534	0.5
147.04465	1.0
175.03975	0.8
176.04237	0.8
191.08519	0.7
208.06917	1.0
219.08009	0.6
220.16347	0.5
233.05960	1.1
237.09145	3.3
250.06345	0.6
251.07050	2.6
261.76163	0.6
265.08554	9.1
282.08820	4.6
293.08105	7.4
296.10403	0.7
297.11249	3.5
307.09619	0.7
310.08411	6.5
312.10172	0.7
325.10709	25.3
327.12332	3.8
370.16501	100.0
391.21274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1646
Annotation	7-Hydroxy-dehydroglaucine
Peak:m/z	Relative Intensity
50.27594	0.4
58.06606	100.0
68.37748	0.5
80.55343	0.5
113.09010	0.5
129.87973	0.6
133.74667	0.5
147.04379	0.8
148.07576	3.2
158.13486	0.6
162.09103	0.7
176.04218	0.8
177.05582	0.6
198.04004	0.6
208.06870	0.9
209.09657	1.3
233.05965	0.9
235.07620	0.7
237.09125	2.6
250.06342	0.6
251.06984	1.2
265.08594	8.3
267.10196	0.7
280.09738	3.0
282.08853	3.6
293.08060	9.3
296.05649	0.6
296.10434	0.6
297.11179	4.2
310.08191	5.5
311.08524	0.7
312.09824	0.9
324.08713	3.1
325.10663	31.9
326.13852	2.1
327.12177	3.9
329.19849	0.7
342.09677	0.9
352.11826	2.1
370.09549	12.6
370.16522	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70271	1.0
58.06607	44.3
68.31953	0.9
69.03414	1.1
85.02896	2.2
87.04460	1.3
87.82371	1.0
89.16766	1.1
91.05460	1.2
97.02876	1.6
119.04942	4.6
120.05238	1.3
127.04004	1.7
133.62488	1.0
145.02745	1.2
147.04390	1.3
148.04723	1.1
148.07558	1.8
175.03831	6.0
176.04202	10.3
177.05409	2.1
206.24835	1.0
207.06531	7.1
208.06808	12.1
212.33679	1.2
225.07817	1.9
239.09412	4.4
257.06781	1.8
265.08542	2.4
266.08066	1.1
269.08032	4.1
280.09668	28.8
281.06827	5.6
282.07578	1.5
293.07977	2.1
294.07675	4.0
296.05496	4.2
296.09241	4.2
297.07364	7.5
297.10339	1.3
298.06860	1.1
298.10718	4.1
310.07495	4.4
311.07916	4.3
312.08548	2.2
313.09436	1.2
314.10031	2.0
324.08606	42.1
325.10651	11.9
326.10260	8.9
327.11929	1.5
338.10284	4.6
342.09680	5.1
352.07913	7.3
352.11798	1.9
355.10458	5.6
370.09103	100.0
370.12817	25.5
370.16556	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70271	1.0
58.06607	44.3
68.31953	0.9
69.03414	1.1
85.02896	2.2
87.04460	1.3
87.82371	1.0
89.16766	1.1
91.05460	1.2
97.02876	1.6
119.04942	4.6
120.05238	1.3
127.04004	1.7
133.62488	1.0
145.02745	1.2
147.04390	1.3
148.04723	1.1
148.07558	1.8
175.03831	6.0
176.04202	10.3
177.05409	2.1
206.24835	1.0
207.06531	7.1
208.06808	12.1
212.33679	1.2
225.07817	1.9
239.09412	4.4
257.06781	1.8
265.08542	2.4
266.08066	1.1
269.08032	4.1
280.09668	28.8
281.06827	5.6
282.07578	1.5
293.07977	2.1
294.07675	4.0
296.05496	4.2
296.09241	4.2
297.07364	7.5
297.10339	1.3
298.06860	1.1
298.10718	4.1
310.07495	4.4
311.07916	4.3
312.08548	2.2
313.09436	1.2
314.10031	2.0
324.08606	42.1
325.10651	11.9
326.10260	8.9
327.11929	1.5
338.10284	4.6
342.09680	5.1
352.07913	7.3
352.11798	1.9
355.10458	5.6
370.09103	100.0
370.12817	25.5
370.16556	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1646
Annotation	7-Hydroxy-dehydroglaucine
Peak:m/z	Relative Intensity
53.86667	0.8
54.56552	0.8
58.06607	100.0
63.42269	0.8
77.79784	1.0
79.94399	0.9
87.54042	1.1
108.62349	1.0
136.06171	18.8
136.07047	1.2
159.91873	1.2
178.86366	1.0
190.08662	4.6
196.25600	0.9
218.04501	1.1
237.09097	4.3
251.06982	1.4
265.08585	9.6
293.08182	8.3
297.11203	1.8
310.08356	6.9
324.44763	1.2
325.10657	32.7
327.12186	2.4
355.10696	1.7
370.12723	12.6
370.16583	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56840	0.2
75.34663	0.2
87.41931	0.2
90.52762	0.2
92.64882	0.2
128.43318	0.2
145.02846	1.4
146.03207	1.6
162.09148	0.4
165.09102	0.5
177.05431	2.6
178.05824	3.2
190.08519	1.6
191.09378	2.3
204.10204	1.9
206.11761	100.0
218.60292	0.3
370.20114	49.9
383.32834	0.2
390.89871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2016
Annotation	Corydaline
Peak:m/z	Relative Intensity
52.78605	0.3
54.06555	0.3
54.17998	0.3
54.48786	0.3
82.89344	0.3
84.06577	0.3
120.77878	0.3
122.07591	0.4
135.46176	0.4
154.08939	0.3
162.09195	0.4
165.09093	0.4
190.08661	1.7
191.09329	1.3
192.10159	0.3
204.10207	2.0
206.11757	100.0
288.80704	0.3
294.11484	0.5
354.59732	0.3
370.20114	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78605	0.3
54.06555	0.3
54.17998	0.3
54.48786	0.3
82.89344	0.3
84.06577	0.3
120.77878	0.3
122.07591	0.4
135.46176	0.4
154.08939	0.3
162.09195	0.4
165.09093	0.4
190.08661	1.7
191.09329	1.3
192.10159	0.3
204.10207	2.0
206.11757	100.0
288.80704	0.3
294.11484	0.5
354.59732	0.3
370.20114	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2009
Annotation	Corydaline
Peak:m/z	Relative Intensity
53.25758	0.3
56.07608	0.3
56.62917	0.3
59.69711	0.3
65.08273	0.3
113.97709	0.4
165.09061	0.4
177.05420	0.4
178.05759	0.9
190.08620	2.2
191.09424	2.3
204.10091	1.8
206.11758	100.0
264.45392	0.4
370.20114	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02926	0.4
53.36531	0.4
75.40584	0.5
77.18329	0.5
79.69635	0.5
80.79819	0.4
105.31386	0.5
145.02861	0.7
146.03172	0.6
165.38820	0.5
177.05435	1.1
178.05775	2.3
185.04700	0.5
191.09425	2.4
204.10265	0.9
206.11760	100.0
342.43671	0.6
355.17972	0.6
359.42795	0.6
370.20135	45.6
375.62753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2011
Annotation	Corydaline
Peak:m/z	Relative Intensity
53.02926	0.4
53.36531	0.4
75.40584	0.5
77.18329	0.5
79.69635	0.5
80.79819	0.4
105.31386	0.5
145.02861	0.7
146.03172	0.6
165.38820	0.5
177.05435	1.1
178.05775	2.3
185.04700	0.5
191.09425	2.4
204.10265	0.9
206.11760	100.0
342.43671	0.6
355.17972	0.6
359.42795	0.6
370.20135	45.6
375.62753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99494	0.8
53.03176	0.8
56.05043	12.0
57.07076	12.5
58.06609	8.7
60.04524	4.1
65.14219	0.9
67.19097	0.8
70.41220	0.8
71.08633	10.2
74.06078	11.0
85.10181	2.2
86.06065	8.2
88.07619	7.5
104.07095	9.2
118.08636	1.5
122.08132	5.7
154.01695	5.0
162.52429	0.9
168.03229	12.2
179.53954	0.9
184.02736	3.5
198.04404	1.6
202.03778	11.0
230.49243	1.1
242.24731	18.3
272.25937	1.8
290.26901	28.1
322.20416	16.2
350.01260	1.1
352.25812	2.1
366.63013	0.9
370.22586	100.0
374.76285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
64.23511	0.6
67.05518	8.2
69.07056	1.0
79.05498	4.6
81.07066	7.1
85.32821	0.7
91.05496	3.2
92.20944	1.3
93.07043	7.7
95.04979	0.7
95.08614	6.1
103.05447	1.2
105.07002	0.8
107.08600	4.2
109.10163	3.5
121.06502	100.0
121.10120	3.4
123.11692	1.5
131.08565	1.0
135.11710	3.8
136.07542	3.2
138.09138	20.1
145.10123	0.8
149.13272	3.2
159.11662	0.8
162.34523	0.6
173.13254	0.7
213.23798	0.7
215.18010	3.1
215.95776	0.6
233.19029	2.4
234.14973	0.9
262.17978	0.8
265.50446	0.8
310.82919	0.6
361.59583	0.7
370.23190	1.0
370.27432	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
57.07039	1.0
58.06588	0.9
66.53752	0.8
67.05508	6.3
69.07076	7.3
70.06593	14.3
76.82244	0.9
79.05467	1.3
81.07048	7.7
83.08625	2.0
88.07630	53.3
91.05468	1.4
93.07037	1.8
95.08586	7.3
100.11266	1.6
105.07030	0.9
106.08672	100.0
107.08580	2.0
109.10161	4.6
121.10172	2.1
123.11705	1.3
125.09644	1.1
135.11720	1.6
278.24835	7.3
296.25900	5.7
309.27945	8.4
322.31015	1.5
342.13272	2.0
352.28384	1.4
352.32178	3.0
358.28482	0.9
370.12958	4.4
370.29309	22.7
370.33191	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10943	1.0
55.05520	9.6
56.05042	9.1
57.07077	4.1
58.06602	1.3
60.07098	1.0
65.49285	0.9
66.41237	0.9
67.05511	18.1
69.07066	13.3
70.06586	1.6
71.08630	6.6
74.06078	6.9
79.05492	12.0
80.05038	1.7
81.07058	21.6
82.06584	46.9
82.07340	1.4
83.04987	1.1
83.08631	10.7
85.10189	1.3
88.03984	4.2
90.05559	1.1
91.05475	6.4
93.07048	12.8
94.06559	6.4
95.04937	1.3
95.08607	20.1
96.08137	2.5
97.06522	1.6
97.10158	5.8
99.08067	1.8
102.05553	9.5
105.07032	7.0
105.74454	0.9
106.07371	2.3
107.08613	9.3
108.08123	7.8
108.08859	1.5
109.10163	12.0
110.09660	1.4
112.07636	2.0
119.08576	5.8
119.21292	1.0
119.40230	0.9
120.08125	2.4
121.08923	1.2
121.10141	11.3
122.09684	4.8
123.08107	1.2
123.11739	1.8
128.07111	7.1
131.08627	1.2
133.10162	1.6
134.10512	1.0
135.11682	6.3
136.12012	1.6
142.08629	7.4
147.11755	1.2
148.11153	1.3
154.08629	6.4
161.13286	1.3
166.08627	6.4
179.14326	4.6
180.14659	5.0
276.26883	6.9
278.21994	4.4
278.28467	1.6
288.26749	5.5
306.28003	2.2
322.27365	40.7
334.27399	6.2
352.28693	100.0
370.29520	19.4
374.58246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.295
Annotation	N-Oleoyl-L-Serine
Peak:m/z	Relative Intensity
55.05525	2.5
56.05042	4.0
57.07079	1.9
57.46772	1.3
58.06609	3.0
60.04547	1.4
67.05508	9.1
69.07064	8.5
70.06591	10.2
74.06071	3.2
79.05495	3.7
81.07057	9.5
81.82505	1.5
82.06587	2.0
83.08630	3.7
84.04508	35.0
86.06063	18.1
88.07625	34.1
91.05462	2.3
93.07053	7.0
95.08595	9.5
97.10176	3.1
98.06049	40.3
98.09528	1.7
100.07629	7.7
102.05556	6.6
105.07050	2.4
107.08578	2.3
109.10185	2.5
112.07587	2.7
114.05502	3.0
116.07098	41.7
118.35379	1.7
119.08582	2.2
121.06512	2.9
121.10133	3.2
124.07587	7.3
130.08630	3.5
142.08626	12.7
214.99094	2.0
227.12779	2.9
274.25278	2.9
304.26483	12.8
322.27319	11.8
342.13254	2.1
352.28461	100.0
353.27594	1.8
370.29407	72.7
370.33167	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Besarhanamide B
Peak:m/z	Relative Intensity
54.10943	1.0
55.05520	9.6
56.05042	9.1
57.07077	4.1
58.06602	1.3
60.07098	1.0
65.49285	0.9
66.41237	0.9
67.05511	18.1
69.07066	13.3
70.06586	1.6
71.08630	6.6
74.06078	6.9
79.05492	12.0
80.05038	1.7
81.07058	21.6
82.06584	46.9
82.07340	1.4
83.04987	1.1
83.08631	10.7
85.10189	1.3
88.03984	4.2
90.05559	1.1
91.05475	6.4
93.07048	12.8
94.06559	6.4
95.04937	1.3
95.08607	20.1
96.08137	2.5
97.06522	1.6
97.10158	5.8
99.08067	1.8
102.05553	9.5
105.07032	7.0
105.74454	0.9
106.07371	2.3
107.08613	9.3
108.08123	7.8
108.08859	1.5
109.10163	12.0
110.09660	1.4
112.07636	2.0
119.08576	5.8
119.21292	1.0
119.40230	0.9
120.08125	2.4
121.08923	1.2
121.10141	11.3
122.09684	4.8
123.08107	1.2
123.11739	1.8
128.07111	7.1
131.08627	1.2
133.10162	1.6
134.10512	1.0
135.11682	6.3
136.12012	1.6
142.08629	7.4
147.11755	1.2
148.11153	1.3
154.08629	6.4
161.13286	1.3
166.08627	6.4
179.14326	4.6
180.14659	5.0
276.26883	6.9
278.21994	4.4
278.28467	1.6
288.26749	5.5
306.28003	2.2
322.27365	40.7
334.27399	6.2
352.28693	100.0
370.29520	19.4
374.58246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38910	1.2
53.40363	1.0
55.05513	1.8
56.05024	1.5
67.05505	14.0
69.07065	11.3
70.82056	1.5
77.39354	1.3
79.05489	3.2
81.07066	14.2
81.39429	1.6
83.08635	1.8
88.07642	2.6
89.62533	1.3
91.05482	2.3
93.07022	5.8
95.08601	13.0
95.31058	1.3
100.11249	7.3
105.07037	2.8
107.08561	3.4
109.10153	2.2
114.12787	6.3
114.39217	1.4
119.08578	1.9
121.10113	3.3
126.12765	2.5
135.11647	2.5
138.35709	1.4
140.14381	2.1
147.11786	1.8
149.13219	1.9
149.96902	1.3
151.14900	1.7
172.68085	1.6
252.45435	1.4
261.22028	2.0
278.24741	25.9
296.25864	3.1
301.50305	1.4
310.10690	2.9
322.31018	1.9
327.10727	2.3
330.19730	1.5
342.13394	5.6
352.28482	2.5
370.08731	1.7
370.12738	3.0
370.29449	100.0
370.33008	5.7
386.79932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
56.05033	5.9
57.07069	2.1
58.06604	1.1
60.04525	1.3
67.05499	7.4
69.07053	7.3
70.06579	7.1
71.08632	1.8
71.25933	1.0
72.04530	1.3
72.08154	1.2
73.48877	1.0
74.06060	1.4
74.67947	1.0
79.05483	2.0
81.07073	10.1
82.67758	1.0
83.08624	5.8
84.04507	38.1
86.06073	20.8
88.07628	18.2
93.07037	8.5
94.06561	1.5
95.08591	9.2
97.10154	2.9
98.05408	1.5
98.06046	41.5
100.07604	9.9
101.94547	1.3
102.05534	6.4
105.07001	1.4
107.08576	1.8
109.10145	4.4
114.05497	5.5
114.09274	1.2
116.07086	25.1
117.06957	1.1
119.08613	1.4
121.06516	2.8
121.10103	2.0
123.11737	1.4
124.07603	9.5
128.07072	2.0
135.11682	1.3
138.09155	1.5
142.08624	14.8
145.11768	1.1
165.72398	1.1
175.52693	1.1
221.18181	1.3
227.12738	6.3
253.29836	1.2
274.25320	4.1
276.26682	1.7
292.26279	1.6
304.26324	13.9
308.28033	1.3
322.27386	14.6
329.20758	4.4
342.13382	2.2
352.28458	100.0
370.13031	1.8
370.29453	57.7
370.32980	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3313
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05508	1.7
57.89351	0.9
58.06596	1.1
66.98663	0.9
67.05509	6.9
69.07074	4.4
70.06597	13.3
72.85906	0.9
76.28120	1.2
79.05517	2.5
81.07065	8.0
83.08627	2.3
84.37000	1.0
88.07631	54.0
93.07033	4.6
95.08601	2.1
105.07064	1.4
106.08672	100.0
107.08559	1.3
109.10140	1.7
121.10124	1.8
128.10689	1.9
169.02159	1.3
268.77591	1.1
309.27856	8.2
342.13412	1.5
346.21307	1.2
352.32162	5.6
370.25595	5.6
370.33160	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3312
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
51.18016	2.8
57.07072	3.8
69.37698	3.1
69.86909	2.7
71.08616	3.5
86.06075	6.9
86.09708	100.0
132.10191	42.9
135.38661	2.8
269.94971	3.0
292.09845	3.0
310.10818	3.8
342.13440	12.1
370.08847	3.5
370.12857	7.0
370.33200	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21561	0.7
53.92892	0.9
55.42659	0.8
57.86329	0.8
90.11652	0.9
94.93014	1.9
119.92489	1.9
130.29189	1.0
135.17923	1.0
148.94092	1.6
169.58319	0.9
190.96236	1.6
191.94574	12.5
196.01283	1.1
208.97267	73.3
220.97260	1.9
226.60817	1.1
250.98351	9.5
280.99359	14.0
284.34863	1.0
353.01239	1.5
371.02539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60555	3.1
74.68875	2.7
78.26019	2.7
119.92074	3.4
129.26767	3.1
130.12244	2.8
175.61116	3.6
186.14412	3.4
218.15559	3.4
267.89679	3.5
281.09225	33.3
296.05560	21.8
371.07413	100.0
371.12698	3.7
371.14572	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	3,3''-Dihydroxyterphenyllin
Peak:m/z	Relative Intensity
58.78050	4.3
65.03929	3.9
72.60738	4.2
73.61882	4.5
92.20912	4.8
102.04702	4.8
105.03372	4.1
107.04946	22.8
119.04972	6.0
121.02825	30.8
130.04161	6.8
131.04950	9.9
135.04436	6.9
137.05978	35.0
146.41931	4.1
147.04414	26.2
147.05510	4.2
149.06006	6.1
150.06850	4.8
153.05394	5.4
159.08115	5.0
161.05977	9.1
162.06750	53.6
163.03903	41.9
163.07585	6.0
166.99097	4.8
167.07034	66.5
175.07545	8.9
177.05476	8.1
181.04915	7.7
187.07674	4.6
191.03246	4.7
191.07080	4.4
194.07312	5.5
195.07959	4.3
203.03284	4.6
205.06538	5.3
206.07310	5.5
217.08694	8.1
219.08134	6.5
221.06143	7.1
222.06755	27.6
223.07410	9.4
234.06741	21.4
235.07541	5.4
235.75993	4.3
236.85541	4.4
237.09109	24.1
239.07065	7.5
248.08139	4.1
249.08995	9.3
250.06247	46.0
251.07071	8.1
261.07587	21.1
263.07007	6.6
264.07697	8.5
265.08536	48.1
266.09207	5.6
269.08218	6.5
277.08597	19.2
278.05719	24.2
278.09042	6.7
279.06558	9.5
279.10126	4.5
280.07269	7.6
281.08124	19.0
283.09622	30.5
285.07370	5.4
293.08044	39.3
293.11377	8.4
295.05884	5.1
295.09692	6.2
296.06747	33.7
310.16968	4.9
311.09265	47.2
311.12543	8.5
321.07535	20.6
325.10590	18.6
337.09042	22.8
338.09576	10.1
339.08591	92.3
339.12329	39.5
340.09311	8.6
341.14001	9.0
353.10291	40.6
371.10461	100.0
371.15573	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1236
Annotation	Antibiotic DOB 41
Peak:m/z	Relative Intensity
50.01092	0.4
50.07433	0.4
58.06596	0.5
61.65551	0.4
65.73842	0.4
66.67472	0.4
67.11893	0.4
70.06581	0.6
84.08138	0.7
84.92316	0.4
86.09727	0.7
96.17223	0.4
125.50250	0.4
129.10205	3.9
132.20168	0.5
141.48935	0.4
159.04782	0.6
163.03912	0.5
187.48360	0.5
190.04967	5.8
191.05353	8.5
192.08774	2.0
193.09116	1.0
199.98824	0.5
208.06053	1.9
209.04512	0.5
209.06400	2.4
225.07755	1.8
238.09225	0.6
239.09651	0.9
257.06784	0.8
269.06732	0.6
284.09186	8.0
286.07001	3.7
293.09271	3.6
295.07376	0.5
325.11780	3.7
327.09662	0.5
339.09760	4.5
343.12793	0.6
353.10876	2.3
371.12393	100.0
387.01364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01092	0.4
50.07433	0.4
58.06596	0.5
61.65551	0.4
65.73842	0.4
66.67472	0.4
67.11893	0.4
70.06581	0.6
84.08138	0.7
84.92316	0.4
86.09727	0.7
96.17223	0.4
125.50250	0.4
129.10205	3.9
132.20168	0.5
141.48935	0.4
159.04782	0.6
163.03912	0.5
187.48360	0.5
190.04967	5.8
191.05353	8.5
192.08774	2.0
193.09116	1.0
199.98824	0.5
208.06053	1.9
209.04512	0.5
209.06400	2.4
225.07755	1.8
238.09225	0.6
239.09651	0.9
257.06784	0.8
269.06732	0.6
284.09186	8.0
286.07001	3.7
293.09271	3.6
295.07376	0.5
325.11780	3.7
327.09662	0.5
339.09760	4.5
343.12793	0.6
353.10876	2.3
371.12393	100.0
387.01364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88593	2.2
189.07816	3.1
190.08128	2.8
222.96100	2.0
269.80795	2.1
282.10913	2.9
292.09680	2.5
293.10046	25.8
295.07990	2.4
309.09650	8.0
310.10345	26.8
311.11087	54.5
312.08707	4.2
312.57962	2.0
313.08990	25.4
323.11099	2.4
327.10623	8.5
328.11292	24.6
342.13464	8.1
343.13684	100.0
353.11948	7.9
371.13174	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10094	1.7
60.12458	1.7
71.17767	1.8
75.08504	1.8
87.52820	2.0
190.08679	6.8
191.08932	10.2
205.10872	4.2
206.11391	3.6
210.61768	2.2
221.56660	2.3
245.09897	2.3
268.10526	3.9
297.05881	3.0
297.13101	3.5
299.11053	2.5
312.08249	8.5
325.12567	11.0
327.10657	17.2
328.11462	10.4
337.08905	3.8
340.09344	2.4
342.13336	8.3
343.13715	100.0
353.12051	14.1
371.13391	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62144	0.8
67.05500	1.6
81.07052	1.9
95.08607	1.1
109.10163	1.1
148.11090	0.9
149.09550	1.3
151.07549	1.1
161.08168	1.0
167.07068	2.3
168.07336	1.2
190.08167	1.7
202.19949	1.0
208.33719	1.0
236.08061	1.7
237.13457	1.1
252.07434	1.2
265.08392	1.1
265.48779	1.0
266.08966	1.8
268.10596	2.0
277.08279	1.0
280.06912	2.3
281.09970	1.8
282.10803	2.1
292.09589	1.4
293.10022	20.3
295.09158	7.3
298.11395	4.3
309.09671	5.3
310.10321	16.9
311.11060	43.6
312.08685	2.4
313.08939	16.6
318.95276	1.0
323.06400	5.3
326.11020	1.9
327.10596	5.9
328.11325	20.0
338.08704	5.8
340.69147	1.0
342.13385	5.6
343.13678	100.0
371.13031	48.9
371.25540	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82578	1.4
52.98386	1.2
54.15593	1.3
58.39774	1.3
64.55352	1.2
70.78252	1.6
73.91750	1.3
74.09982	1.4
77.87538	1.5
77.88075	1.4
79.05503	2.5
89.46585	1.7
105.07046	6.1
107.04939	12.6
115.90025	1.5
117.77401	1.7
124.05196	2.4
129.07013	7.8
133.06537	2.9
147.08066	1.9
149.09651	2.5
156.94016	1.6
159.08031	3.6
161.05954	6.4
167.07030	100.0
172.05188	2.9
175.07562	20.4
186.59746	1.6
187.07539	21.3
191.07094	3.7
193.92424	1.8
195.84779	1.7
199.07594	6.8
206.07286	2.3
206.11780	2.6
221.09615	2.0
234.06767	2.9
246.06738	2.2
249.09102	3.5
261.09000	2.0
277.08691	1.7
281.11707	8.5
289.08673	2.9
309.11227	6.8
321.11124	7.4
326.11548	2.1
341.13907	18.3
353.08371	6.1
353.14005	7.5
371.20764	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
52.55974	1.3
53.03970	1.4
55.01872	2.4
67.01868	1.9
67.73114	1.2
69.03430	23.2
73.01830	1.4
73.16341	1.6
79.05494	1.6
81.03462	1.3
81.07056	1.8
84.26344	1.3
89.88944	1.4
91.05483	6.0
93.07022	1.5
93.19004	1.5
95.04951	1.8
97.02891	27.1
103.05457	2.9
105.07046	2.9
107.04975	8.8
107.08633	5.4
109.02885	22.6
109.06519	3.0
119.04961	2.2
119.08621	3.5
121.06514	2.2
127.03957	6.0
128.06236	5.0
129.07034	8.9
131.04961	3.2
131.08585	8.1
133.06506	3.3
135.04457	2.1
135.08054	23.2
137.05994	18.3
141.06976	6.3
142.07782	10.2
143.08557	19.0
145.06468	4.9
145.10141	2.5
147.04401	2.3
147.08080	7.0
149.05992	3.0
149.09621	13.0
151.03894	1.8
151.07552	2.2
153.07001	13.5
155.08466	12.9
156.09337	23.0
157.06500	8.9
157.10097	15.3
158.07324	8.1
159.08057	12.9
159.11748	3.2
163.03893	1.7
163.07559	2.6
165.05600	1.5
165.07047	6.6
166.07791	15.4
167.07050	45.5
167.08417	3.8
168.09340	26.5
169.06485	2.2
171.08037	31.0
171.11638	25.2
172.08873	2.9
173.09682	6.7
173.13202	2.7
175.04012	1.5
175.07585	5.6
175.11147	2.1
177.05495	6.5
181.05005	2.0
181.10085	18.3
183.08075	6.2
183.11670	18.2
184.08876	23.0
185.05984	2.5
185.09627	27.1
186.10455	9.8
187.07582	7.4
189.09155	9.3
191.07072	1.9
194.07309	2.4
197.06027	7.2
199.11185	99.5
201.09163	2.4
201.12788	3.2
203.07030	2.1
203.10678	14.7
207.06567	5.6
208.06870	2.2
209.07973	5.8
209.09686	28.6
212.08321	44.0
215.10690	6.9
217.08672	8.4
217.12250	3.3
218.07321	1.5
227.10660	100.0
233.09810	1.8
235.07616	2.7
236.08542	1.7
245.11714	83.8
246.06888	1.6
247.09587	1.9
249.09143	10.8
251.07256	1.5
252.07939	2.0
261.09149	3.0
264.07828	1.9
265.08588	9.2
266.09372	7.5
270.54874	1.4
277.08722	6.8
278.06085	1.5
278.09381	1.6
280.07434	2.3
281.08334	2.3
285.07681	9.0
293.11621	11.9
295.09805	6.2
296.10526	7.6
300.10040	6.5
306.08655	1.8
311.12756	5.2
321.11285	9.6
325.10663	1.6
333.38507	1.6
338.06094	1.8
339.12344	27.6
340.13553	1.7
341.14020	5.2
353.08609	7.7
353.13773	11.1
371.10794	6.0
371.14975	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.41178	0.8
55.46763	0.8
63.54160	0.8
70.38251	0.9
79.05492	4.9
79.97397	1.0
91.05445	1.4
96.05078	1.1
96.23239	1.1
105.07048	8.3
107.04967	16.3
112.78899	1.2
115.05368	1.5
119.08549	1.4
124.05219	2.5
129.06987	7.2
131.04918	2.2
132.05710	1.4
133.06488	7.1
137.05998	1.5
147.08084	2.3
151.03944	1.3
152.04601	1.1
153.05467	1.8
156.05661	1.2
159.01918	1.1
159.08072	6.4
161.05959	11.4
163.89928	1.2
167.07024	100.0
171.31184	1.1
172.05173	1.6
175.07552	22.5
187.07532	24.1
191.07001	6.4
199.07489	9.1
203.08653	2.1
208.14192	1.6
209.14455	1.8
215.08658	1.4
218.07220	1.8
221.09659	4.7
231.08092	2.3
233.09581	2.2
234.06879	1.5
248.08131	1.2
249.09123	5.2
261.09088	5.2
267.35406	1.1
277.08530	2.3
278.09369	5.0
281.11707	9.4
289.08502	2.3
293.11624	1.8
294.08972	1.5
307.09650	2.0
309.11157	9.8
311.09042	1.2
321.11292	8.0
339.12329	1.6
341.13797	22.7
353.13928	9.4
371.15158	11.5
371.19443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
51.72342	1.2
53.08131	1.2
56.93605	1.4
60.05205	1.4
69.85754	1.6
79.05477	1.6
107.04974	7.9
125.05993	2.4
129.07037	2.6
136.67497	1.6
137.05994	9.4
151.03932	2.0
153.05466	7.9
157.06467	2.1
159.07997	6.2
161.05989	2.9
167.07022	36.1
167.08325	1.7
170.55333	1.8
175.07568	10.0
177.05533	2.6
181.05008	10.6
187.07626	9.7
189.09145	3.4
191.07092	3.7
191.08762	1.9
193.08459	2.0
199.07550	2.2
201.09125	2.7
217.08655	2.3
218.67418	1.7
219.08130	2.6
221.08174	7.7
232.08908	2.2
233.09712	3.9
234.06773	2.6
240.07948	6.7
247.07651	1.9
248.08144	1.6
249.09048	14.5
252.07732	2.5
260.08359	1.8
261.09155	9.7
263.06903	2.0
265.08670	9.9
266.09305	8.3
275.10590	2.1
277.08609	13.4
278.09372	9.8
279.10367	3.9
281.11804	7.9
283.09528	1.8
285.07703	3.2
291.10229	2.4
293.08380	3.3
293.11737	10.2
294.08630	2.0
295.09622	2.6
296.10522	3.0
300.09793	17.9
306.09012	2.7
307.09744	2.4
309.11154	15.5
311.09302	2.2
311.12811	8.8
321.11218	9.1
339.12271	36.9
340.11624	8.3
341.13794	23.7
353.13840	9.9
371.14951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24781	0.8
71.62001	0.6
79.05492	5.5
81.07073	0.9
81.85750	0.7
91.05435	0.7
93.07001	1.0
103.12742	0.7
105.06997	5.9
106.04192	0.8
107.04967	15.2
115.05516	1.1
119.08599	1.5
121.10199	1.0
123.04412	3.4
124.05225	1.6
129.07028	7.0
131.04942	3.3
132.05760	1.1
133.06471	6.1
137.05963	1.2
147.08049	4.5
150.36996	0.8
152.04805	1.0
152.06219	0.9
153.00792	0.8
153.05461	1.6
159.08015	6.2
160.05182	1.1
161.05968	9.8
167.07028	100.0
167.99501	0.9
172.05193	1.6
175.07541	25.2
177.05449	1.3
178.07820	1.1
179.07076	1.1
187.07538	21.5
189.09064	1.2
191.07068	6.7
199.07584	9.4
203.08511	1.1
209.07985	1.0
217.08501	0.9
218.07295	1.1
219.08072	1.6
221.09642	5.0
231.08070	1.4
232.08867	1.1
233.09676	3.8
234.06612	1.6
235.07405	1.0
246.06876	1.6
247.07611	0.9
249.09116	6.8
249.11391	1.3
251.06981	1.5
260.08392	1.9
261.09042	4.8
263.07047	1.3
265.08597	1.1
266.09341	1.8
275.07053	1.4
277.08633	3.4
278.09357	3.9
281.11697	10.6
287.16718	0.9
289.08591	4.3
291.10196	1.9
293.08072	1.2
293.11417	1.4
294.08810	1.2
297.05844	6.9
306.08835	0.9
307.09650	1.8
309.11450	6.2
309.14307	0.8
310.12039	1.1
311.09036	1.8
321.11133	7.4
322.11835	1.3
326.11438	3.8
339.11801	1.0
341.09995	1.0
341.13855	20.6
353.08603	1.2
353.13766	8.9
371.09210	6.8
371.14435	4.6
371.21753	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18010	1.9
57.07082	2.1
65.92482	2.3
67.05505	2.7
67.24272	1.9
71.08628	2.1
72.26538	2.2
74.10124	2.1
81.07056	4.0
95.08598	3.5
115.08701	21.6
116.07082	5.0
116.07921	2.0
128.59351	2.4
164.93942	2.4
166.81520	2.7
169.92949	2.3
193.45253	2.3
259.05673	4.2
282.27905	11.7
330.20969	2.4
353.28354	3.2
371.18304	100.0
392.64862	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.1
67.58900	4.2
69.07063	26.4
74.09710	4.7
81.07064	82.7
83.08585	4.9
84.86537	4.4
91.77959	3.8
92.68436	4.1
93.06999	5.7
95.08591	5.3
107.08550	4.9
109.10156	23.3
118.11710	4.1
121.10149	6.3
123.30630	4.2
135.11646	5.4
187.07414	6.6
189.09061	7.0
213.09013	5.3
215.07216	5.8
231.10120	5.2
241.15765	7.3
243.13779	7.2
249.11168	23.1
251.14343	5.2
269.12405	7.7
269.15314	100.0
270.12015	7.6
287.13193	11.0
287.16431	46.1
288.13010	36.3
289.14310	9.1
297.14917	9.0
315.15891	68.9
323.43900	5.4
325.21481	19.2
371.17526	6.9
371.22028	62.0
371.35248	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04510	15.2
84.08144	64.4
86.09708	50.3
101.10793	1.4
113.07156	1.6
129.06618	6.0
129.10243	26.2
130.08640	46.0
141.06598	4.8
147.11278	20.9
151.88425	0.8
197.12852	26.5
273.53012	0.9
371.22903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54356	1.6
55.05514	4.4
57.03467	2.0
57.07077	4.0
61.07469	1.4
67.05505	8.8
69.07060	21.8
71.08637	3.5
81.07069	15.2
83.05001	2.7
83.08617	9.8
93.07049	10.9
95.08614	17.7
97.10168	4.6
105.07048	2.2
107.08585	14.5
109.10170	12.2
111.04450	31.7
111.08089	8.0
119.08550	3.4
121.10152	13.8
123.08083	9.7
123.11718	12.1
125.06000	28.4
131.08592	2.7
133.10135	3.9
135.08052	4.1
135.11711	10.0
137.09631	3.2
137.13205	7.3
139.07622	2.3
145.10164	4.3
147.11703	2.0
149.09601	3.4
149.13252	14.7
151.11227	3.2
153.09111	3.5
159.11679	10.1
163.11198	18.7
163.14813	7.9
165.12946	2.5
167.10657	6.6
173.13243	3.9
177.12776	17.2
181.12236	10.0
184.20595	8.4
191.14310	7.2
195.13792	11.5
205.19547	16.8
209.15274	3.3
215.17914	4.5
233.19008	25.4
243.17503	2.0
251.20082	32.2
279.19559	72.0
297.20599	34.7
353.23236	100.0
353.27560	3.5
371.21954	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38082	3.2
55.05515	7.3
56.12908	3.5
57.07083	5.3
59.23720	3.7
60.73433	3.3
67.05504	9.9
69.07079	29.1
73.69707	3.4
79.05454	3.4
81.07056	37.3
83.08602	5.0
93.07063	15.6
95.08606	23.0
96.08910	4.1
105.07008	4.4
107.08628	9.0
108.65771	3.9
109.10163	100.0
119.08613	6.3
121.10090	8.9
123.11713	5.8
135.11688	29.9
161.79176	4.3
163.33063	5.8
194.47896	3.9
266.01056	4.0
325.25192	4.5
353.24786	6.8
371.18594	5.9
371.25739	68.0
371.29709	15.4
371.33539	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.258
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
50.49274	0.8
52.34273	0.7
55.05517	2.0
63.03737	0.8
67.05497	1.5
69.07068	16.8
69.94788	0.8
75.71963	0.9
81.07044	4.5
83.08614	1.7
91.05451	0.9
93.07031	4.0
93.61523	0.9
95.08604	5.5
105.07030	4.1
107.08599	5.5
108.16312	0.8
109.10161	7.4
119.08566	4.5
121.05650	0.9
121.10145	4.9
131.08563	1.4
133.10155	1.5
137.13187	1.1
143.08540	3.9
144.01175	1.0
145.06451	1.0
145.10135	4.4
147.11684	8.0
149.13242	6.5
157.10101	4.7
159.08049	1.3
159.11659	1.9
169.10098	1.0
171.08104	4.5
171.11652	3.7
173.09648	7.1
173.13289	3.7
175.11220	0.9
185.09639	5.1
185.13266	5.1
187.11295	1.2
187.14807	2.0
195.11766	1.4
197.13235	1.7
199.11163	9.5
199.14882	4.5
211.14922	1.7
213.12729	4.0
213.16341	7.5
223.14790	5.0
227.17940	1.4
229.15921	1.2
237.16299	1.4
241.15878	23.2
245.15332	2.0
247.13268	3.9
247.17012	2.1
255.17415	5.1
269.22784	1.3
273.18292	1.5
279.21082	6.1
283.16885	3.8
293.22827	1.2
297.18948	1.6
297.21872	7.2
315.19647	6.3
321.21945	1.3
339.23163	3.6
353.24939	4.2
371.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
55.05522	20.1
57.03445	3.3
57.07092	6.5
63.71426	1.3
67.05514	64.1
69.07068	37.0
71.05004	2.6
71.08627	7.0
76.07639	3.1
76.27270	1.6
79.05497	19.2
81.07064	64.8
83.04967	2.4
83.08635	21.7
85.06545	3.7
85.10214	1.5
91.05502	8.2
92.43177	1.5
93.07050	29.6
95.04967	1.7
95.08611	53.3
97.06522	10.9
97.10160	19.6
99.08100	2.4
105.07040	2.9
107.08592	34.0
109.06472	2.7
109.10162	50.6
111.08068	3.0
117.07009	3.4
117.61848	1.3
119.08583	7.0
121.10130	17.4
123.11710	9.8
125.09624	11.8
131.08577	3.0
133.10126	3.7
135.08089	2.5
135.11708	27.5
137.09572	1.6
137.13255	9.5
145.10114	7.3
147.11681	8.9
149.09637	2.5
149.13281	10.2
151.14807	1.6
153.12746	8.1
153.13966	1.4
159.11719	3.0
161.13261	3.4
163.14751	2.8
173.11812	3.5
173.13208	5.2
177.16400	2.1
179.14317	1.6
187.14806	2.8
189.11285	5.8
206.39413	1.5
223.17004	1.7
227.12816	3.4
243.21097	3.7
261.22098	19.3
279.23187	55.7
353.26883	100.0
371.27924	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88413	0.6
55.01884	18.9
55.05522	11.4
55.64593	0.6
57.03440	4.2
57.07085	6.3
63.38962	0.6
66.65820	0.6
67.05511	22.9
67.05845	1.4
69.03433	0.9
69.06700	1.6
69.07076	44.7
71.04997	3.6
71.08627	4.2
72.72408	0.6
74.09731	0.7
74.63009	0.6
79.05504	11.2
81.07063	23.4
83.04993	7.0
83.08628	25.3
85.06530	0.9
85.10185	1.1
91.05487	1.2
93.07054	22.2
95.08613	25.7
97.06526	7.7
97.10181	5.8
105.03855	0.6
105.07023	1.3
107.04950	0.7
107.08598	19.7
109.10159	18.4
111.08091	6.5
111.11740	1.0
117.07046	1.5
119.08588	1.7
121.06522	0.7
121.10165	15.2
123.11683	6.0
125.09664	2.5
129.21823	0.8
131.08595	3.2
133.10152	1.3
135.08081	1.0
135.10698	0.9
135.11707	19.5
137.09618	1.2
137.13274	1.3
145.10149	3.2
149.09586	0.9
149.13264	5.1
151.14766	1.1
153.12758	36.9
159.11638	0.9
161.13231	1.2
163.11200	3.4
163.14865	1.8
181.12260	1.4
183.13794	1.5
187.14870	1.0
198.39812	0.7
214.25816	0.7
219.21092	0.8
233.22627	4.1
243.21046	3.9
251.23672	3.6
261.22141	6.4
279.23203	37.1
350.74237	0.8
353.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05524	27.3
57.03442	4.7
59.04976	2.3
66.21761	2.4
67.05190	2.8
67.05511	53.7
69.03440	4.9
69.07070	41.4
71.05005	3.5
71.08628	11.3
76.09846	2.9
79.05504	21.7
81.07056	68.3
83.08627	31.7
91.05469	5.9
93.07052	32.1
95.08607	59.3
97.06516	6.4
97.10172	43.6
98.31688	2.8
105.07087	4.0
107.08591	37.0
109.06572	3.1
109.10153	43.5
111.08076	4.6
111.74153	2.6
119.08582	3.8
120.24799	2.8
121.10131	15.8
123.11698	13.8
123.34588	3.1
125.09612	34.8
131.08632	3.3
135.08026	3.5
135.11681	24.6
137.13220	5.1
147.11653	5.2
149.13206	6.6
152.32967	3.0
153.12714	19.6
163.14810	3.8
175.14877	3.4
177.12712	2.8
189.11154	11.4
199.03072	3.3
227.12746	21.1
228.26057	3.3
245.13814	12.9
261.22092	18.9
262.46548	3.0
263.11746	3.1
279.23157	47.3
316.55750	2.8
353.26871	100.0
371.27942	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33075	1.9
54.93641	1.9
55.05528	17.8
56.05030	2.3
57.03437	10.0
57.07095	3.2
65.61628	2.0
67.05510	40.0
69.07071	24.1
71.04993	4.1
71.08630	17.7
78.67889	2.2
79.05504	13.9
81.07067	50.2
83.04987	2.7
83.08624	17.5
85.10175	14.7
91.05476	8.3
93.07055	18.9
95.04993	2.5
95.08619	39.6
97.06553	4.5
97.10179	5.5
99.08077	11.5
105.07027	4.4
107.08586	17.3
109.10181	17.7
113.09653	5.3
119.08546	5.4
121.10143	12.2
123.08103	2.0
123.11662	2.2
131.08559	3.1
133.10101	8.6
135.11658	12.5
137.13255	2.9
143.08186	2.0
145.10095	2.3
147.11710	9.7
149.13219	5.3
159.08080	2.4
162.99605	2.1
163.14751	2.9
173.13322	3.1
184.20615	12.3
185.05983	2.3
187.07564	69.1
188.08318	3.6
199.07561	3.3
213.05524	11.6
214.14319	2.4
215.07013	4.9
231.06496	37.0
232.07288	4.7
239.10634	4.1
243.21066	3.8
243.24980	4.0
261.22134	9.8
267.10205	5.1
271.09473	7.0
279.23151	22.8
285.11243	17.8
351.43579	3.1
353.17438	13.0
353.26984	25.2
354.85086	2.6
371.13873	4.5
371.18491	100.0
371.23270	13.2
371.28036	47.5
371.32736	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.8
57.03440	12.8
62.93548	8.4
66.02853	6.2
67.05520	62.3
68.88129	6.6
69.07059	54.6
71.49447	6.5
75.27380	6.0
79.05491	14.8
81.07058	81.2
83.08601	13.5
91.05495	8.1
93.07036	48.8
95.08619	72.2
97.10172	10.9
102.09731	6.6
105.07059	12.1
107.08598	17.7
109.10174	50.0
117.06982	6.8
121.10107	37.1
125.09671	6.9
133.10141	10.6
135.11707	14.2
139.11189	8.1
140.10658	6.9
158.12724	7.2
234.01654	8.6
279.23154	36.9
307.12122	7.6
325.13181	9.4
330.07385	8.1
335.12216	9.1
353.26828	62.1
371.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20038	2.6
57.07088	21.0
61.14494	2.4
62.89276	2.4
67.05506	4.4
69.07068	7.0
71.08624	21.8
74.02438	5.3
81.07067	20.9
83.08619	13.2
85.10196	11.9
87.05598	75.9
88.03989	44.2
95.08604	27.2
97.10168	3.4
97.35018	2.8
107.08659	3.6
109.10149	7.4
116.03430	6.9
117.47578	2.8
121.53637	2.7
133.06084	100.0
176.15088	3.0
239.23735	7.3
256.26401	15.9
259.09637	3.0
299.05728	3.1
354.26395	96.8
371.28055	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00941	2.9
52.55276	3.0
55.05512	4.4
56.96642	3.0
59.21767	3.6
67.05470	4.0
68.27648	4.3
75.89945	3.4
89.62856	3.7
95.41016	3.8
114.07944	3.7
133.10147	4.8
174.70717	4.7
205.74585	4.2
342.03711	100.0
349.16699	5.2
357.06091	27.2
372.08368	92.9
372.18286	4.4
377.04425	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45526	0.4
57.07072	1.0
65.29588	0.4
67.05499	0.7
78.54752	0.5
81.07053	2.2
85.06548	1.2
93.07063	1.1
95.08586	0.9
107.23461	0.5
121.10122	0.5
132.95052	0.6
147.11757	0.8
165.12784	0.8
183.13821	0.7
190.08636	0.7
191.09384	0.6
200.16447	3.7
201.14906	0.9
246.17032	1.8
258.77597	0.5
265.71170	0.5
287.86420	0.4
291.23520	0.6
329.06915	1.9
342.07529	1.0
344.09210	8.5
357.06519	0.8
366.85394	0.5
370.07068	0.9
372.08643	100.0
372.18021	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.099
Annotation	Berberine chloride
Peak:m/z	Relative Intensity
52.49014	0.6
57.88511	0.5
105.95009	0.6
107.09182	0.7
119.40310	0.7
184.91418	0.8
216.00862	0.8
252.36349	0.7
294.04114	1.2
296.31018	0.8
311.07150	1.6
313.04984	2.8
314.05856	1.4
328.07288	33.7
340.07230	7.5
342.05270	15.6
356.06808	49.6
357.07578	37.2
372.09958	100.0
393.37350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49014	0.6
57.88511	0.5
105.95009	0.6
107.09182	0.7
119.40310	0.7
184.91418	0.8
216.00862	0.8
252.36349	0.7
294.04114	1.2
296.31018	0.8
311.07150	1.6
313.04984	2.8
314.05856	1.4
328.07288	33.7
340.07230	7.5
342.05270	15.6
356.06808	49.6
357.07578	37.2
372.09958	100.0
393.37350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1074
Annotation	Nedocromil
Peak:m/z	Relative Intensity
58.06593	1.6
61.36218	0.6
65.77940	0.6
101.62624	0.7
134.06012	1.3
135.04422	0.9
147.04428	2.7
162.05495	12.6
165.05460	6.4
178.04916	1.2
190.05090	1.3
251.09567	1.0
258.00452	0.8
266.08130	0.8
267.06152	0.8
267.08936	1.0
280.07126	1.0
280.09927	0.8
282.07632	2.9
282.10974	1.2
293.06772	1.3
294.07391	2.1
295.08337	4.4
296.05682	4.3
298.10779	0.9
308.09229	1.8
309.06210	3.4
310.07059	14.0
311.07782	6.6
321.06540	1.2
322.07104	1.6
324.05026	6.4
326.10223	17.7
336.08807	1.8
338.06528	3.2
339.07312	22.8
354.09689	100.0
372.10748	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13200	0.7
57.03137	0.7
58.06594	1.7
65.86732	0.7
65.99222	0.7
75.30502	0.8
116.04910	0.8
134.05997	1.2
147.04457	1.2
149.06039	0.8
151.43147	0.9
162.05493	12.6
163.06276	0.9
165.05482	10.7
175.03944	0.8
178.04918	1.6
178.60545	0.7
179.09276	0.9
188.07068	1.2
190.05016	1.4
190.08574	1.6
191.03403	1.0
206.08202	1.2
206.11765	36.5
208.06149	0.9
208.24307	0.8
238.68484	0.8
266.08163	1.5
267.08823	1.9
280.07169	1.3
281.04340	0.9
282.07626	3.5
283.08588	1.1
293.06830	3.2
294.07681	2.9
295.08401	4.7
296.05304	6.5
299.09415	0.8
308.09113	1.6
309.06207	3.2
310.07126	11.5
311.07962	4.3
321.06339	1.5
322.07166	1.7
324.05081	8.6
326.06650	1.2
326.10236	20.7
336.08777	1.4
338.06586	5.0
339.07391	23.5
354.09711	100.0
372.10684	92.1
372.14020	6.0
372.17999	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1076
Annotation	Nedocromil
Peak:m/z	Relative Intensity
52.28889	0.4
52.84369	0.4
58.06611	9.0
60.42373	0.4
88.07624	2.6
91.38148	0.5
118.48558	0.8
123.49093	0.6
149.06004	1.0
225.07858	1.2
234.71346	0.6
235.07497	0.9
253.07414	4.8
254.08089	5.0
256.06058	7.1
263.07022	6.9
268.06015	0.8
268.09772	1.2
270.07562	10.5
278.07806	0.7
281.06769	7.0
284.09177	2.2
286.07095	2.2
294.07596	5.9
295.09738	3.9
296.09308	6.3
297.06372	0.8
298.07089	54.2
299.07910	1.3
308.13107	0.8
310.10846	0.7
312.08658	11.5
313.09421	9.6
322.07053	1.0
326.10263	0.8
340.08023	1.0
340.15399	2.9
354.09683	15.1
354.13635	1.3
372.10718	100.0
372.17804	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06076	0.8
54.74186	0.8
57.15591	0.8
58.06614	2.0
69.40347	0.8
86.09688	0.9
121.06491	1.4
134.05956	1.0
184.85692	1.0
192.10182	38.5
206.11772	7.1
241.10966	58.5
244.09654	1.4
250.08475	1.2
252.10164	6.1
253.10942	18.0
256.09641	1.0
264.06351	1.5
265.07346	1.9
266.08041	2.1
268.09656	1.9
270.11304	4.0
273.09964	6.9
278.04568	4.0
278.08148	4.3
280.06329	1.8
280.09637	9.3
281.09793	1.0
284.09070	1.5
293.06839	10.0
294.07684	1.4
295.08453	6.1
296.09109	5.2
297.09976	10.3
298.10730	68.3
299.08923	1.5
306.04068	14.0
307.08459	1.8
308.09186	5.0
309.09921	12.0
310.10721	4.5
312.08722	1.3
312.12173	4.3
321.06281	26.3
324.05096	3.5
325.09421	2.0
329.12784	1.4
336.08600	15.6
339.07422	1.5
340.08093	1.7
340.11713	9.9
354.09689	32.0
354.13480	1.9
372.10571	22.4
372.14404	100.0
372.18219	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.2
60.95936	0.5
62.53904	0.6
70.99978	0.5
78.40885	0.5
79.35643	0.6
91.20633	0.5
110.76858	0.6
116.04971	0.7
134.06027	1.1
135.04419	1.1
147.04408	2.8
162.05499	14.1
164.07063	0.9
165.05481	10.0
178.04941	0.8
182.49146	0.6
190.04877	1.0
193.04999	1.2
209.04416	0.8
224.05537	3.2
251.09496	1.0
266.08066	1.3
267.08746	0.8
268.09586	0.7
280.07172	1.2
282.07553	3.6
282.10995	0.6
283.08450	0.9
293.06845	1.1
294.07672	2.8
295.08380	5.6
296.05554	4.8
297.09872	0.8
308.09201	2.3
309.06308	2.8
310.07104	12.2
310.10425	1.2
311.07950	6.1
318.58646	0.6
321.06256	2.6
322.07324	0.8
323.07663	0.7
324.05017	6.1
324.08414	1.0
326.06671	0.7
326.10135	18.2
336.08591	2.8
338.06458	3.6
339.07397	24.3
354.09705	93.9
372.10751	100.0
387.91852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1076
Annotation	Nedocromil
Peak:m/z	Relative Intensity
50.17940	0.9
62.56255	1.0
65.58179	1.0
78.29654	1.4
78.86949	1.2
110.65600	1.3
177.01688	1.4
189.02693	2.0
189.04179	13.6
190.08629	1.6
202.94963	1.3
254.85783	1.2
264.06561	1.7
264.76770	1.3
265.07355	1.8
280.06046	2.5
283.08533	1.2
293.06799	25.8
294.07645	11.1
294.11227	7.7
298.07239	1.2
310.07117	6.2
311.07852	7.6
311.11469	4.4
312.12350	13.1
314.10294	5.5
321.06253	4.9
326.10202	50.5
326.13522	1.7
328.11749	1.6
329.12720	4.7
338.06555	2.5
339.07385	1.6
339.82727	1.4
342.03018	1.6
344.14935	23.7
354.09744	100.0
356.04819	2.2
362.97964	1.4
372.10803	22.8
372.14771	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	4.7
58.22056	1.1
89.84626	1.2
108.98830	1.0
110.66248	1.1
119.59126	1.2
147.04436	1.5
162.05522	7.1
163.03864	7.0
165.05455	8.7
209.04517	1.9
251.09065	1.2
266.75641	1.2
275.31201	1.4
280.09656	2.0
282.08005	3.3
282.11218	26.9
284.09052	1.9
295.08273	2.6
296.05466	1.9
308.09113	7.3
309.06345	1.3
310.07068	8.4
310.46317	1.3
311.07880	5.8
312.08597	2.3
313.09363	1.5
317.07559	1.2
324.05035	6.4
326.10129	16.4
338.06607	2.7
339.07288	16.2
340.10379	1.6
354.09668	80.1
372.10406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36007	1.2
58.06605	29.7
60.01099	1.0
70.06627	1.2
76.82699	1.1
78.57010	1.3
91.79459	1.2
103.47339	1.3
121.06480	1.6
134.05995	2.2
149.06018	1.6
164.94145	1.4
191.06996	1.6
191.09320	1.3
192.10194	2.6
206.11592	1.4
208.09709	17.3
222.11284	5.7
238.84579	1.3
239.06966	2.0
240.10172	13.9
241.10962	45.6
252.10144	5.5
253.10962	13.5
265.07608	1.6
267.06454	2.6
268.09680	2.0
269.10480	2.0
270.07480	1.4
270.11319	2.1
273.10046	9.1
280.09717	5.6
281.07089	1.7
284.09183	6.7
294.07645	1.6
295.05927	2.1
296.05685	2.5
297.06567	2.4
297.10010	6.3
298.10739	43.3
300.12393	2.9
309.09882	5.5
312.08667	62.8
312.12003	2.3
328.08099	1.7
328.11716	5.0
329.12634	2.0
339.07498	2.3
339.14871	1.5
340.11816	7.3
344.11142	5.3
354.09705	13.0
354.13391	1.9
356.07602	11.0
357.08301	2.7
357.12259	1.9
372.10654	100.0
372.14465	86.3
372.18246	12.4
376.48306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60781	1.3
66.90685	1.2
74.59901	1.3
80.19556	1.3
89.03905	3.2
98.97590	2.0
116.04980	25.3
118.06541	5.4
134.06024	16.4
135.04439	1.6
144.04453	40.3
146.05989	8.0
147.04407	47.7
147.05565	1.8
162.05525	10.1
167.07014	1.4
174.05498	100.0
175.06276	7.2
181.04955	23.3
184.32043	1.5
190.08633	7.8
192.06575	18.9
294.11157	1.5
296.09180	3.0
310.11130	1.8
312.08313	1.6
312.12238	3.0
326.10022	2.0
329.12402	1.8
344.14914	2.9
372.10712	93.1
372.14734	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26482	0.3
57.25107	0.3
58.06585	0.7
78.56775	0.3
91.05479	0.6
104.64460	0.3
116.04980	0.4
134.06049	0.9
135.04407	0.9
137.05959	1.7
147.04405	2.1
148.05144	0.5
151.07484	0.7
162.05492	11.6
163.06302	0.4
164.07065	0.6
165.05457	7.1
165.26501	0.4
175.03911	0.7
176.06996	0.6
178.04903	0.7
179.09389	1.7
179.11168	0.3
190.04982	1.8
190.08635	3.2
191.09451	1.8
206.11758	100.0
209.04523	0.6
229.07344	1.6
251.09224	0.7
266.08179	1.7
267.08881	1.7
280.07196	0.8
281.10379	0.5
282.07587	2.6
282.11072	0.7
283.08350	0.6
293.06906	0.6
294.07681	2.3
295.08310	4.3
296.05591	3.9
297.09912	0.7
298.07053	0.7
298.10693	0.8
308.09048	1.9
309.06390	1.6
310.07111	11.1
311.07831	6.3
312.08612	0.6
321.06372	1.8
322.07120	0.8
323.07874	0.4
324.05023	6.1
324.08493	0.8
325.09488	0.7
326.10214	13.9
336.08487	2.8
338.06635	1.9
339.07379	19.6
340.11667	0.8
354.09695	86.3
372.10715	74.4
372.18082	50.6
379.05563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.8
59.26408	0.3
70.90285	0.4
119.04946	0.7
137.05962	0.7
149.05988	8.0
151.22585	0.4
160.08829	0.7
162.26634	0.4
191.10686	1.6
192.10187	9.0
200.07091	0.9
206.11729	3.7
208.09732	3.1
217.01680	0.5
226.08623	0.7
228.06502	0.7
229.70610	0.5
252.06512	0.7
253.07341	2.0
254.08125	2.0
256.06006	17.7
256.09958	0.5
269.06784	0.9
270.07629	7.7
273.06360	0.6
280.06046	2.9
281.06741	3.8
282.07535	0.8
283.08252	0.6
284.09244	5.4
286.07178	0.5
294.07614	1.0
296.09256	0.9
297.06354	1.0
298.07089	28.4
310.11206	0.6
312.08649	20.1
313.05804	0.9
313.09406	25.5
322.07047	1.8
325.12817	0.5
327.08701	1.0
340.08224	3.2
340.15350	1.8
354.09201	6.0
354.13394	2.6
372.10712	100.0
372.17734	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06239	0.8
50.96052	0.9
53.03953	1.0
56.20995	0.9
58.14661	0.9
58.31648	0.8
64.63036	0.9
68.05029	6.2
69.03430	1.8
71.04978	1.1
75.01614	1.1
81.03426	25.1
83.04929	1.4
84.04506	44.5
85.02910	11.4
96.04475	4.5
97.02891	100.0
99.04469	10.8
107.04941	1.3
109.02879	18.8
111.83718	1.1
114.05524	46.8
122.06000	1.1
125.02309	1.5
125.04783	1.5
126.05519	4.7
127.03926	15.9
130.04999	60.7
134.05989	1.7
135.04373	1.5
136.07553	7.6
138.05519	4.2
140.07074	7.7
142.04994	62.7
142.06104	2.3
144.21637	1.0
154.04988	5.5
164.07018	21.0
164.08083	1.3
168.06572	1.3
170.04449	2.1
176.07047	3.9
180.06578	5.2
182.08145	2.4
192.06534	26.7
208.06218	1.3
210.07649	4.8
214.07037	1.7
220.06042	5.1
226.07106	17.6
234.72359	1.3
238.07083	47.2
247.42638	1.1
256.08139	49.3
274.09207	18.7
329.55508	1.2
354.12338	1.3
372.07480	3.5
372.11716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1437
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
51.57707	1.6
53.90086	1.4
75.14436	1.9
92.20786	2.0
151.07536	2.6
151.58041	1.9
152.53241	1.7
155.86609	1.7
162.00607	1.6
167.07004	2.8
167.42497	1.9
178.08531	2.5
190.08636	2.8
191.09384	3.2
280.09546	4.4
283.11954	3.5
293.10526	2.7
294.08047	2.9
294.11130	29.0
296.09384	4.4
310.10745	4.5
311.11493	21.3
312.12280	50.0
314.10217	27.5
321.32858	1.9
324.12064	2.4
328.11670	3.7
329.12726	16.3
339.11017	2.0
344.14902	100.0
354.09579	3.3
354.13455	3.8
356.04999	3.6
357.05731	2.5
372.07782	4.4
372.09216	3.8
372.14432	70.5
392.81384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1439
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
53.04698	0.8
58.06610	100.0
62.09499	0.8
78.10815	0.9
89.85891	0.9
107.47842	1.1
109.02896	1.2
121.06498	2.4
125.23113	1.0
126.23827	0.9
135.80464	0.8
148.56323	0.9
234.36909	1.0
241.10963	11.7
253.10989	5.3
273.09955	1.7
280.09729	1.8
297.09882	2.0
298.10800	12.3
312.08572	1.3
327.08420	3.7
340.11923	2.0
354.09644	1.9
355.07916	1.2
372.10788	3.9
372.14453	37.3
372.18726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1437
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
63.31689	0.6
68.49722	0.5
69.72050	0.6
72.02019	0.7
77.56813	0.6
80.68533	0.6
104.84077	0.6
151.07513	3.0
167.07071	0.8
178.08678	3.8
190.08562	0.9
191.09430	6.4
248.06978	1.4
267.10098	0.9
268.09702	3.7
280.09677	6.4
282.11240	2.9
283.12030	5.5
286.10815	1.1
293.10443	3.1
294.11203	32.5
295.12228	1.5
296.09097	8.8
297.10083	0.9
299.12277	0.7
310.10696	6.9
311.11472	18.6
312.12268	55.2
314.10202	30.5
314.13916	1.1
321.10236	2.2
324.08710	0.9
324.12088	2.2
326.13791	3.7
327.12241	1.5
328.11746	7.7
329.12531	27.5
338.10422	1.5
339.10971	3.3
344.14902	100.0
354.13336	7.1
372.14401	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
58.06569	0.3
63.18755	0.1
65.12346	0.0
65.54527	0.1
71.43390	0.1
75.50954	0.1
81.07011	0.1
91.05479	0.5
95.04919	0.1
109.06516	0.6
119.04915	0.6
119.05762	0.1
121.06393	0.1
137.05986	0.6
146.05977	0.7
151.07533	4.0
160.07437	0.1
162.09120	0.5
163.06215	0.1
164.07050	1.8
165.05492	0.5
165.09087	0.1
173.08400	0.1
174.09048	0.1
177.05402	0.3
177.07793	0.2
177.09171	0.1
178.07076	0.1
178.08624	3.0
179.09398	21.7
181.04970	0.1
188.07098	0.1
190.08588	2.1
191.09396	2.6
192.10170	1.1
193.05023	0.1
204.10170	0.9
205.11008	0.1
205.22101	0.1
206.11751	100.0
208.09642	0.7
222.07588	0.1
253.08548	0.1
253.89911	0.1
263.07080	0.2
265.08542	0.1
269.08032	0.1
281.08127	0.1
285.11227	0.1
294.11288	0.1
295.09555	0.1
297.10495	0.1
298.10846	0.3
309.11209	0.1
311.08957	0.2
313.10754	0.3
323.09048	0.1
326.13690	0.1
339.10886	0.1
340.11832	0.2
340.15555	0.1
344.15158	0.1
354.13354	0.3
354.17331	0.1
357.11737	0.1
357.15790	0.1
372.14276	7.6
372.18161	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1444
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
51.05074	0.6
58.06606	7.6
72.81609	0.6
77.67837	0.7
92.20935	1.1
104.29590	0.8
121.06516	1.6
149.05966	1.8
151.07535	1.0
165.09067	1.1
177.05531	1.3
190.08647	4.1
192.10272	1.3
204.10197	7.8
205.11002	6.1
222.11211	4.3
253.07431	1.0
254.08168	2.8
254.11812	0.9
263.10535	1.0
268.06152	1.2
270.07541	1.4
279.08875	1.4
280.09692	0.9
281.06805	1.3
283.08304	1.4
284.09189	1.4
286.07034	0.8
291.10211	1.6
294.07828	1.4
296.09256	1.3
298.07083	14.6
298.10263	2.2
312.08627	1.4
313.99478	0.8
322.14505	1.6
327.08429	0.8
328.11771	8.1
338.14185	1.1
339.11020	2.8
339.14636	1.3
340.11847	2.7
342.09790	14.8
342.13486	1.4
350.56558	0.8
354.09586	4.7
354.16806	0.9
356.11172	9.1
357.12061	94.4
372.10641	13.3
372.14313	100.0
372.18237	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20517	0.5
53.14405	0.4
54.66314	0.5
56.20725	0.4
57.04491	0.4
58.06596	3.0
99.70213	0.4
121.06501	0.9
147.70819	0.5
149.05981	0.7
149.75900	0.5
165.09111	1.0
177.05449	0.7
177.07805	0.6
190.08621	1.2
192.10170	1.0
204.10239	4.2
205.10988	2.7
222.11290	2.2
230.97731	0.5
237.07741	0.6
240.10155	1.2
241.10982	3.4
266.07858	0.6
268.05920	1.2
273.10019	1.9
279.08884	0.9
280.09900	0.8
283.08331	2.8
284.09271	3.7
286.94870	0.6
291.10007	0.8
297.10031	0.7
298.10550	5.3
299.09497	0.5
300.12231	1.0
309.09827	0.6
312.08701	7.1
314.10999	0.5
322.14578	0.9
328.03610	1.0
328.11600	1.0
339.11069	3.4
339.14615	0.7
342.09717	17.0
344.06772	3.5
344.11200	2.6
354.09506	0.9
356.03070	1.1
356.07401	0.9
356.11356	0.8
357.12033	100.0
372.06470	6.7
372.10516	14.7
372.14383	77.5
372.18185	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73694	0.2
57.21343	0.3
58.06610	100.0
72.08165	1.6
99.71346	0.3
119.08605	0.4
165.60042	0.3
175.14821	3.0
224.04839	0.4
269.04547	0.6
294.08994	0.4
295.06006	0.5
309.11337	2.0
327.12430	0.7
339.07245	0.4
354.09869	2.0
357.11697	0.6
372.10858	2.7
372.14368	1.9
372.18289	3.8
372.23474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29280	0.2
53.81922	0.3
58.06610	100.0
71.55682	0.2
72.08169	3.2
79.37021	0.3
89.98843	0.3
106.06603	0.3
119.74168	0.3
133.10204	0.3
144.02635	0.3
147.04471	0.4
163.76466	0.3
175.14836	2.5
183.74641	0.3
208.04361	1.3
221.65746	0.3
222.16656	0.3
224.05519	2.4
225.08044	0.3
227.07106	1.6
241.05107	0.4
257.06995	1.0
268.09811	0.3
269.04489	1.9
295.06152	0.6
298.07352	0.3
301.07135	1.8
312.06546	0.3
326.10312	1.1
328.11954	1.7
337.07965	0.3
339.07840	0.4
354.09662	3.2
354.13297	0.3
372.10721	12.2
372.14682	2.4
372.23779	0.4
386.99191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	44.4
68.92179	0.7
73.63637	0.8
75.04925	0.6
77.16077	0.7
80.70870	0.8
84.00791	0.7
97.59764	0.8
104.81635	0.7
125.05951	0.7
125.87032	0.8
137.27074	0.8
137.31769	0.7
151.03902	5.2
151.07547	1.4
153.05473	3.7
160.08864	1.5
163.40738	0.8
167.70868	0.8
176.08273	1.4
177.07802	1.8
190.08504	1.4
190.09993	1.4
191.10703	10.3
192.10190	67.7
194.08160	7.3
194.40994	0.8
204.10284	1.6
206.11755	34.3
214.91103	0.7
220.13368	1.8
222.11223	1.7
227.75455	0.8
241.10989	14.9
253.10950	5.1
263.06989	1.0
273.10089	1.1
280.09976	1.4
283.09506	1.4
295.09464	0.9
297.10013	3.7
298.10690	17.6
299.49573	0.9
309.09906	3.7
309.13303	0.9
315.12225	1.7
331.27029	0.8
340.11835	2.6
340.15494	6.1
354.13354	3.0
372.14200	37.8
372.18079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	44.4
68.92179	0.7
73.63637	0.8
75.04925	0.6
77.16077	0.7
80.70870	0.8
84.00791	0.7
97.59764	0.8
104.81635	0.7
125.05951	0.7
125.87032	0.8
137.27074	0.8
137.31769	0.7
151.03902	5.2
151.07547	1.4
153.05473	3.7
160.08864	1.5
163.40738	0.8
167.70868	0.8
176.08273	1.4
177.07802	1.8
190.08504	1.4
190.09993	1.4
191.10703	10.3
192.10190	67.7
194.08160	7.3
194.40994	0.8
204.10284	1.6
206.11755	34.3
214.91103	0.7
220.13368	1.8
222.11223	1.7
227.75455	0.8
241.10989	14.9
253.10950	5.1
263.06989	1.0
273.10089	1.1
280.09976	1.4
283.09506	1.4
295.09464	0.9
297.10013	3.7
298.10690	17.6
299.49573	0.9
309.09906	3.7
309.13303	0.9
315.12225	1.7
331.27029	0.8
340.11835	2.6
340.15494	6.1
354.13354	3.0
372.14200	37.8
372.18079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
56.68737	1.4
58.06592	8.3
60.30624	1.3
62.43320	1.7
63.73481	1.6
85.45347	1.6
88.07631	8.0
99.54588	1.7
103.35189	1.6
105.81998	1.5
137.06049	3.3
153.05507	1.6
165.05482	3.9
236.62587	1.8
239.07130	2.2
241.11209	1.8
247.03894	1.9
251.06935	2.2
260.36655	1.6
266.05804	2.7
267.06464	8.3
268.07089	2.7
277.04846	8.5
284.06772	8.6
293.10449	2.2
294.05164	7.0
294.11179	8.3
297.07443	5.9
299.09125	27.5
309.07370	3.1
311.11710	3.6
320.09106	2.1
322.10764	12.2
323.11578	8.0
326.10165	3.3
327.08527	16.9
339.10989	16.8
354.09683	8.1
354.13336	100.0
372.09964	17.0
372.14545	22.2
372.18204	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78233	0.6
55.98352	0.7
58.06609	5.4
62.61220	0.6
63.99850	0.6
69.13300	0.7
85.02895	0.8
88.07629	9.4
97.02921	1.2
98.06055	3.8
105.07023	1.1
106.06590	1.2
109.02824	1.0
110.03267	0.7
119.08582	1.4
121.06512	8.7
135.04431	2.8
163.03891	1.2
175.14833	4.4
175.16388	0.7
209.04297	1.3
210.04817	3.3
210.11366	0.9
239.07204	1.4
239.09303	8.5
241.10942	5.0
247.03864	4.4
251.07025	1.7
253.11147	0.9
254.05786	1.6
255.06520	3.7
260.68604	0.8
266.05652	6.2
267.06485	4.5
268.07214	1.8
268.09720	1.1
273.09909	1.1
277.04895	10.8
278.08344	0.8
279.06516	1.8
281.07977	1.8
283.08508	0.9
284.06747	3.6
284.09409	2.7
293.10455	1.5
294.05130	6.6
294.11160	9.5
295.05835	2.9
296.06451	1.4
296.09412	1.5
297.07486	5.1
298.10770	7.8
299.09164	7.6
307.08365	1.2
309.07422	8.3
310.10944	0.9
311.08545	1.2
311.11905	5.5
312.08624	4.2
320.09131	1.8
322.10681	12.8
323.11609	6.6
324.08496	1.3
327.08658	10.5
339.11014	19.5
340.11813	1.2
354.09732	9.0
354.13351	100.0
357.12015	3.0
372.10669	23.2
372.14481	23.7
372.18781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1437
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
50.20517	0.5
53.14405	0.4
54.66314	0.5
56.20725	0.4
57.04491	0.4
58.06596	3.0
99.70213	0.4
121.06501	0.9
147.70819	0.5
149.05981	0.7
149.75900	0.5
165.09111	1.0
177.05449	0.7
177.07805	0.6
190.08621	1.2
192.10170	1.0
204.10239	4.2
205.10988	2.7
222.11290	2.2
230.97731	0.5
237.07741	0.6
240.10155	1.2
241.10982	3.4
266.07858	0.6
268.05920	1.2
273.10019	1.9
279.08884	0.9
280.09900	0.8
283.08331	2.8
284.09271	3.7
286.94870	0.6
291.10007	0.8
297.10031	0.7
298.10550	5.3
299.09497	0.5
300.12231	1.0
309.09827	0.6
312.08701	7.1
314.10999	0.5
322.14578	0.9
328.03610	1.0
328.11600	1.0
339.11069	3.4
339.14615	0.7
342.09717	17.0
344.06772	3.5
344.11200	2.6
354.09506	0.9
356.03070	1.1
356.07401	0.9
356.11356	0.8
357.12033	100.0
372.06470	6.7
372.10516	14.7
372.14383	77.5
372.18185	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54388	0.6
55.78001	0.6
55.79733	0.7
58.06604	72.8
65.86273	0.7
97.48036	0.8
121.06441	0.9
123.04422	1.1
125.06002	1.7
151.03928	7.3
151.07487	1.0
153.05460	3.8
154.89232	1.0
160.08832	4.3
160.81987	0.8
176.08328	1.8
187.23257	0.9
187.58919	0.9
190.08475	1.2
190.09909	3.5
191.10677	15.7
192.10220	1.8
194.08119	9.0
200.08299	1.2
204.10179	10.4
206.11806	9.1
220.13297	5.1
222.11232	68.7
227.06898	1.2
239.06998	9.6
241.04877	1.0
252.04257	1.9
256.07291	5.0
267.06531	7.3
283.09543	1.6
284.06757	27.7
295.06061	1.6
298.10175	1.2
299.09122	61.8
308.09167	3.6
312.06247	4.3
315.12061	1.6
327.08603	49.3
338.13791	0.9
340.15179	1.7
354.17038	4.2
357.11160	1.6
372.14133	44.9
372.18066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1442
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
57.40441	0.1
58.06617	1.7
63.68154	0.2
67.84659	0.2
72.06016	0.2
77.83794	0.2
78.45280	0.2
83.77644	0.2
136.06206	0.2
137.06007	0.3
144.21457	0.2
149.06075	0.2
153.09126	0.2
164.07054	100.0
206.08179	0.8
210.02200	0.4
210.07642	0.3
270.11246	1.0
279.08835	0.4
280.09644	0.4
280.71509	0.3
284.09232	0.2
294.11328	0.9
321.09885	0.2
324.08627	0.8
354.13333	0.3
372.14444	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.3
63.18755	0.1
65.12346	0.0
65.54527	0.1
71.43390	0.1
75.50954	0.1
81.07011	0.1
91.05479	0.5
95.04919	0.1
109.06516	0.6
119.04915	0.6
119.05762	0.1
121.06393	0.1
137.05986	0.6
146.05977	0.7
151.07533	4.0
160.07437	0.1
162.09120	0.5
163.06215	0.1
164.07050	1.8
165.05492	0.5
165.09087	0.1
173.08400	0.1
174.09048	0.1
177.05402	0.3
177.07793	0.2
177.09171	0.1
178.07076	0.1
178.08624	3.0
179.09398	21.7
181.04970	0.1
188.07098	0.1
190.08588	2.1
191.09396	2.6
192.10170	1.1
193.05023	0.1
204.10170	0.9
205.11008	0.1
205.22101	0.1
206.11751	100.0
208.09642	0.7
222.07588	0.1
253.08548	0.1
253.89911	0.1
263.07080	0.2
265.08542	0.1
269.08032	0.1
281.08127	0.1
285.11227	0.1
294.11288	0.1
295.09555	0.1
297.10495	0.1
298.10846	0.3
309.11209	0.1
311.08957	0.2
313.10754	0.3
323.09048	0.1
326.13690	0.1
339.10886	0.1
340.11832	0.2
340.15555	0.1
344.15158	0.1
354.13354	0.3
354.17331	0.1
357.11737	0.1
357.15790	0.1
372.14276	7.6
372.18161	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
50.39105	0.8
51.54609	0.7
58.06598	3.8
87.61345	0.8
108.55244	1.0
206.08015	3.3
233.08553	1.7
236.10725	2.1
250.08615	3.5
251.09459	1.4
254.11717	1.0
262.08661	5.4
264.06494	2.0
264.10379	1.3
265.07355	1.0
266.08115	16.0
279.08887	51.0
280.09674	21.2
281.10464	6.1
294.11243	38.0
297.09961	1.9
298.10727	9.0
306.07687	2.0
307.08463	7.0
311.11359	1.4
312.12292	3.8
321.09988	4.8
322.10538	6.3
324.08755	9.1
338.10220	6.0
339.10999	25.3
340.11829	1.6
343.66705	1.0
354.13345	9.6
372.14444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.3
63.18755	0.1
65.12346	0.0
65.54527	0.1
71.43390	0.1
75.50954	0.1
81.07011	0.1
91.05479	0.5
95.04919	0.1
109.06516	0.6
119.04915	0.6
119.05762	0.1
121.06393	0.1
137.05986	0.6
146.05977	0.7
151.07533	4.0
160.07437	0.1
162.09120	0.5
163.06215	0.1
164.07050	1.8
165.05492	0.5
165.09087	0.1
173.08400	0.1
174.09048	0.1
177.05402	0.3
177.07793	0.2
177.09171	0.1
178.07076	0.1
178.08624	3.0
179.09398	21.7
181.04970	0.1
188.07098	0.1
190.08588	2.1
191.09396	2.6
192.10170	1.1
193.05023	0.1
204.10170	0.9
205.11008	0.1
205.22101	0.1
206.11751	100.0
208.09642	0.7
222.07588	0.1
253.08548	0.1
253.89911	0.1
263.07080	0.2
265.08542	0.1
269.08032	0.1
281.08127	0.1
285.11227	0.1
294.11288	0.1
295.09555	0.1
297.10495	0.1
298.10846	0.3
309.11209	0.1
311.08957	0.2
313.10754	0.3
323.09048	0.1
326.13690	0.1
339.10886	0.1
340.11832	0.2
340.15555	0.1
344.15158	0.1
354.13354	0.3
354.17331	0.1
357.11737	0.1
357.15790	0.1
372.14276	7.6
372.18161	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1442
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
54.24253	1.0
57.86678	1.0
58.06604	5.9
58.39553	0.9
63.17532	1.1
66.20088	1.1
72.74374	1.1
72.97784	1.0
79.48009	1.2
81.25552	1.1
81.26094	1.0
89.06685	1.1
91.05487	2.8
96.70999	1.3
116.85136	1.1
119.04934	1.2
121.06536	1.6
127.96607	1.2
128.07071	4.9
137.05980	9.1
161.16080	1.1
162.05534	2.5
163.03879	1.7
164.07108	2.2
165.05513	2.3
165.36984	1.5
172.35484	1.3
175.14795	2.0
181.56952	1.3
193.05074	2.0
208.06061	2.3
208.09697	1.8
240.13403	2.7
241.10953	46.6
252.10110	6.6
253.10881	16.2
254.08032	1.5
268.09772	1.7
268.13336	1.6
270.11279	2.5
273.09796	1.4
280.09619	2.9
282.07605	2.1
284.09137	2.7
297.10022	8.8
298.07382	2.4
298.10751	46.1
308.09109	4.7
309.09982	9.0
310.10706	2.1
312.08606	2.6
312.12112	2.1
325.09360	1.6
326.10153	10.2
328.11761	1.9
329.12421	1.6
336.08630	2.1
339.07370	2.0
339.10977	2.3
340.08224	1.4
340.11905	8.5
354.09692	12.6
354.13287	2.5
356.11243	2.2
357.11865	7.2
372.10577	43.5
372.14420	100.0
372.18210	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91206	0.9
64.55073	1.0
69.03427	1.6
76.20004	1.0
79.51263	1.1
84.04523	1.0
85.02903	8.9
90.05575	1.0
91.05466	1.5
94.74232	1.1
95.04950	1.5
97.02914	4.3
99.04445	1.3
107.04947	2.0
109.02895	2.1
111.04428	4.3
119.05013	1.7
121.06507	50.1
123.04453	2.6
127.03918	1.5
136.06279	2.0
136.07539	1.4
138.09143	1.7
147.04401	5.8
148.07614	1.6
149.05952	1.4
150.09166	9.6
151.05812	1.1
157.82744	1.1
160.07649	1.7
165.05460	1.7
167.07014	7.1
167.90224	1.2
175.07567	4.3
181.08539	8.8
192.10211	13.5
193.08612	4.6
208.09714	7.3
210.11255	100.0
268.25586	1.2
308.11325	2.7
336.10678	1.9
336.14349	1.7
343.54504	1.1
354.11716	7.6
354.15582	5.4
372.12991	6.1
372.16592	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
53.05824	0.8
57.01031	0.9
62.86547	0.9
63.17434	0.9
71.85279	1.0
99.18355	1.4
102.09041	1.0
131.70790	1.0
149.05962	5.3
150.06781	1.1
151.07515	8.4
160.07486	1.2
165.09125	9.6
177.05490	2.0
190.08618	9.6
193.11009	1.8
194.11665	1.2
197.59532	0.9
204.10190	25.9
205.10962	19.0
206.11751	4.2
222.11215	11.9
263.10587	2.4
291.10010	7.2
308.10223	1.7
313.14307	1.7
322.14310	1.5
339.14780	1.7
354.17108	1.6
372.18057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.18
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
57.71313	1.4
92.03369	1.3
128.14226	1.6
151.07539	8.8
165.09143	7.6
181.08592	2.7
184.40161	1.3
190.08630	41.6
191.07085	1.8
191.09457	10.7
192.10199	2.3
204.07907	1.6
206.29971	1.6
208.09769	8.1
222.11201	12.3
235.97609	1.5
243.54105	1.5
273.19641	1.6
281.12003	1.7
291.10056	3.2
292.10965	9.1
338.13226	1.6
347.86389	1.8
354.16919	6.9
372.18030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1802
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
51.32487	0.8
68.02401	0.9
79.06067	0.8
128.53110	0.9
131.01013	0.9
137.06000	1.3
140.44717	1.0
151.07527	6.5
165.09055	8.4
166.06372	1.1
176.07228	0.9
178.08556	1.1
180.10164	1.6
181.08585	2.0
190.08627	33.5
191.07137	1.0
191.07927	1.0
191.09416	12.0
192.10251	1.9
207.08926	2.4
208.09651	9.1
222.11258	52.1
281.11719	1.4
292.08081	1.1
292.10757	9.8
322.14288	1.2
338.13745	1.3
339.14752	2.2
339.75006	1.2
354.16852	1.9
367.96634	1.2
372.18054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
53.74202	0.7
58.06593	4.3
64.45287	0.7
65.83807	0.7
66.92586	0.7
69.37974	0.9
82.05570	0.8
98.39088	0.9
108.82456	0.8
137.06015	1.2
149.05981	6.6
151.07584	6.7
165.09135	9.0
177.05536	4.2
190.08595	13.8
191.09308	1.0
193.11029	1.7
194.11647	1.2
204.10193	32.8
205.10966	21.7
206.11737	3.6
222.11278	13.4
249.09015	1.5
263.10754	3.7
277.08224	1.1
281.11472	1.1
285.11353	1.1
291.10150	11.5
292.10840	1.0
309.11252	1.2
313.14337	1.0
322.14294	4.0
323.15265	1.4
324.12192	1.3
327.08408	1.0
328.11853	7.4
336.76971	0.9
338.13895	2.0
339.14624	1.5
340.11722	1.8
341.13696	0.9
342.09647	4.7
354.16974	6.8
356.11172	7.7
357.11996	18.2
372.14185	31.2
372.18060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1808
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
58.06614	4.2
107.05009	0.6
109.04977	0.5
118.34613	0.5
121.02873	0.6
121.06458	0.8
125.05995	3.3
129.06918	0.5
135.04395	0.8
149.06009	2.0
151.03899	9.7
151.07567	0.9
153.05455	6.2
160.08838	6.1
163.07605	0.6
164.08334	1.2
175.07539	0.6
176.08261	4.5
177.09117	0.8
178.09888	1.9
182.08252	0.6
190.09962	4.1
191.10678	23.1
192.10191	3.2
193.12337	0.6
194.08124	13.3
204.10153	5.4
206.11774	12.0
208.06105	2.2
218.20984	0.6
219.12593	1.0
220.13327	6.7
221.14221	0.9
222.11189	3.5
224.05515	5.8
227.07022	3.9
241.93576	0.6
255.10248	1.9
269.07941	0.6
283.06454	0.7
283.09653	2.7
300.09802	0.8
301.06989	1.2
315.12250	4.8
315.89374	0.5
372.10986	14.0
372.18076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1804
Annotation	Stepharotine
Peak:m/z	Relative Intensity
51.96632	1.0
55.45007	1.0
58.06618	8.8
59.03074	0.9
64.27894	1.0
70.66460	1.1
90.04597	1.1
95.19270	1.1
97.02881	1.5
107.86742	1.0
108.25827	1.0
132.67039	1.0
135.04517	1.1
165.05612	1.2
165.09126	4.9
178.08644	1.1
179.09459	1.3
180.10246	1.4
190.08633	1.7
191.09407	5.0
192.10205	4.8
195.43376	1.1
206.08269	1.3
206.11778	13.5
208.09674	76.8
222.07661	1.2
222.11208	1.5
224.05545	11.0
225.07741	1.3
227.06923	1.2
234.52533	1.1
239.09378	5.5
245.97763	1.1
266.64862	1.1
271.08423	5.0
284.09393	1.6
284.12634	1.3
286.07184	1.8
294.07501	1.8
297.10004	4.6
298.10800	4.3
312.04959	4.5
312.08707	11.3
326.10364	7.9
326.13693	1.3
340.08353	2.2
354.09723	14.9
354.16959	1.6
355.17789	1.3
372.07010	1.7
372.10672	73.6
372.18063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1804
Annotation	Stepharotine
Peak:m/z	Relative Intensity
54.81368	0.5
58.06608	1.3
60.36126	0.5
63.19286	0.5
74.81984	0.5
117.84846	0.6
143.40358	0.7
151.07561	1.0
162.25255	0.6
164.07082	0.7
177.07829	3.2
178.08633	0.7
179.09419	11.5
190.08524	2.0
191.09428	2.8
192.10185	74.7
199.46442	0.6
202.85272	0.6
206.11758	100.0
208.09715	1.1
265.09122	0.6
277.60519	0.6
372.14487	4.7
372.18088	79.5
385.96869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1802
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
81.81033	0.4
92.21517	0.5
123.40471	0.4
149.43730	0.4
151.07561	0.4
161.08318	3.9
179.89145	0.4
189.07837	3.9
190.08609	2.4
204.10179	0.8
205.10924	0.4
206.08377	0.5
207.08885	5.5
220.09637	0.7
222.11255	100.0
281.11713	0.5
300.09326	0.4
372.18054	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1802
Annotation	Stepharotine
Peak:m/z	Relative Intensity
53.06512	0.4
57.33521	0.5
57.99424	0.5
58.06608	0.7
58.41546	0.5
58.96880	0.5
71.09747	0.5
151.07751	0.5
178.08583	0.6
179.07080	0.5
179.09399	8.5
190.08607	2.5
191.09398	2.7
192.10217	10.6
206.11765	100.0
372.14481	3.3
372.18109	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1802
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
59.69004	0.9
62.03011	0.9
64.05627	1.0
64.96132	0.9
88.81978	1.0
90.22747	1.2
94.11832	1.0
98.62418	1.1
100.48092	1.0
106.23719	1.0
137.05962	1.3
151.07532	6.3
165.09096	6.5
166.06252	1.9
181.08600	2.2
190.08630	34.2
191.06987	1.6
191.09451	11.2
192.10217	6.3
193.19130	1.1
208.09671	9.4
222.11241	13.2
254.09442	1.3
291.09976	2.6
292.10938	9.0
308.10373	1.4
311.12750	1.2
314.67593	1.2
322.14352	2.3
338.13934	1.6
354.17035	2.7
372.18057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.18
Annotation	Stepharotine
Peak:m/z	Relative Intensity
51.85558	0.7
56.85395	0.9
58.06606	5.4
63.02218	0.8
71.42258	0.8
88.07653	2.0
121.06509	1.1
136.24840	1.0
137.06065	0.9
149.06001	4.7
151.03925	3.7
153.05389	2.9
155.62605	0.9
160.08865	3.7
163.03882	1.8
165.09227	0.9
174.71979	0.9
176.04137	0.9
176.08391	1.2
190.09927	1.9
191.09227	1.6
191.10713	11.9
192.10225	20.5
194.08121	8.8
204.10231	1.9
206.11752	16.7
208.09706	13.6
214.61876	0.9
220.13339	1.9
222.11165	1.2
235.07445	1.6
239.07228	1.1
239.09267	6.7
245.05847	1.0
256.05948	7.7
263.07019	5.6
268.09753	2.1
270.07538	1.8
271.08362	2.0
283.09366	1.4
284.06601	1.8
284.09332	6.0
294.07816	1.1
295.09409	3.5
296.09354	5.0
298.07199	4.4
298.10593	1.4
299.09167	6.2
300.09927	1.2
308.12952	1.2
310.10934	1.0
312.08795	10.4
313.09308	10.3
315.12167	1.9
324.12085	3.0
325.13120	4.0
327.08618	5.0
339.10986	1.2
340.08325	2.0
340.15469	11.1
354.09634	10.0
354.13452	6.7
372.10635	57.3
372.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	Stepharotine
Peak:m/z	Relative Intensity
58.06606	0.6
68.88630	0.6
71.10695	0.6
74.10752	0.5
79.89326	0.6
131.26901	0.6
137.06013	0.6
151.07568	0.8
160.55843	0.7
161.78552	0.5
161.80116	0.6
165.05499	0.7
177.07793	3.2
178.08611	0.9
179.09421	6.4
190.08652	1.2
192.10188	100.0
206.11757	54.1
293.36951	0.6
372.14389	5.2
372.18079	78.4
386.49164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.18
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
52.73964	1.3
55.97797	1.6
59.20247	1.4
94.12514	1.4
101.61538	1.6
104.02736	1.6
138.15839	1.6
151.07501	3.3
153.09108	2.4
163.07610	1.9
165.09117	3.9
181.08606	2.6
181.26056	1.7
190.08630	39.2
191.09433	18.5
192.10208	2.7
208.09663	15.7
222.11255	22.6
242.57115	1.8
292.10843	11.1
322.14502	2.7
339.14709	2.4
354.17108	3.4
372.14606	3.7
372.18051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1801
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
91.05499	0.6
137.06067	0.8
149.05962	6.0
150.06769	0.8
151.07539	7.2
165.09099	10.7
175.09998	0.7
177.05493	4.0
177.09196	0.9
178.08658	0.9
178.66629	0.7
185.42728	0.5
188.07367	0.7
190.08638	13.2
193.10973	2.6
194.11790	3.0
203.06908	0.6
204.10185	29.8
205.10971	20.3
206.11784	3.9
219.46425	0.6
222.11249	16.1
232.94705	0.7
253.12044	0.9
263.10626	2.9
281.11588	1.0
291.10107	9.6
292.11148	0.8
294.21170	0.6
313.14182	0.8
322.14401	4.0
324.12143	1.2
338.13971	2.9
339.14722	2.7
340.11862	0.8
341.13803	1.3
342.09637	0.9
354.17105	4.4
356.11133	1.0
357.12030	4.0
372.14478	5.4
372.18079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
58.06599	3.4
59.53043	0.5
67.98953	0.5
79.35152	0.6
137.06021	0.6
140.84207	0.5
151.07553	2.9
154.19437	0.6
161.08333	2.5
165.09088	2.4
181.08658	1.2
189.07872	2.8
189.55658	0.6
190.08615	13.1
191.07129	0.6
191.09393	4.7
192.10178	0.9
207.08904	5.5
208.09734	3.0
211.07603	1.3
212.08365	1.3
220.09694	0.8
222.11240	100.0
223.07588	3.4
227.71262	0.6
239.07025	4.9
240.07813	1.1
255.06416	0.7
256.07333	1.0
267.06503	6.4
271.09726	2.8
284.06754	2.6
291.10315	1.0
292.11002	3.5
299.09320	1.2
310.07083	0.6
311.09119	7.1
312.06381	1.0
327.08347	6.7
338.13983	0.9
339.07382	0.8
354.09778	1.1
354.16946	2.1
357.12042	3.8
358.43640	0.7
358.48322	0.7
372.14233	13.3
372.18167	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1808
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
51.70053	1.3
62.89701	1.2
66.33957	1.4
161.08301	2.4
178.31451	1.5
180.30861	1.9
181.08563	2.6
189.07870	2.6
190.08601	13.3
192.10178	2.0
206.11772	3.0
207.08844	3.6
207.12148	5.7
208.09674	9.2
215.41663	1.5
222.09036	3.2
222.11243	100.0
234.05727	1.5
239.07014	1.9
240.11034	1.5
292.11090	2.6
372.14133	7.9
372.18069	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
58.06601	2.2
59.96908	0.5
62.10641	0.5
62.24736	0.4
70.81504	0.5
74.74740	0.5
89.06695	0.5
99.51552	0.5
105.00613	0.6
121.06488	1.0
123.65704	0.5
135.65797	0.5
137.05980	0.8
149.05933	6.0
150.06741	1.0
151.07568	7.3
161.53601	0.5
165.09094	10.8
175.07608	0.6
177.05492	3.3
190.08646	12.2
191.09418	1.2
192.10173	0.5
193.11006	2.3
194.11835	2.1
204.10187	34.9
204.12119	1.1
205.10968	24.2
206.11780	5.0
222.11241	13.9
225.09027	0.7
253.12114	0.8
263.10535	4.1
277.08688	0.8
281.11722	0.7
285.11224	1.0
291.10138	11.6
292.10837	1.0
293.08035	0.7
308.10107	1.0
311.12720	0.9
313.14154	0.9
322.14349	2.9
328.11841	3.2
338.06772	0.6
338.13986	3.2
339.14786	3.2
340.11932	2.2
342.09628	0.8
354.16962	4.2
356.11349	5.7
357.12006	3.5
372.14224	13.7
372.18127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	3.4
59.53043	0.5
67.98953	0.5
79.35152	0.6
137.06021	0.6
140.84207	0.5
151.07553	2.9
154.19437	0.6
161.08333	2.5
165.09088	2.4
181.08658	1.2
189.07872	2.8
189.55658	0.6
190.08615	13.1
191.07129	0.6
191.09393	4.7
192.10178	0.9
207.08904	5.5
208.09734	3.0
211.07603	1.3
212.08365	1.3
220.09694	0.8
222.11240	100.0
223.07588	3.4
227.71262	0.6
239.07025	4.9
240.07813	1.1
255.06416	0.7
256.07333	1.0
267.06503	6.4
271.09726	2.8
284.06754	2.6
291.10315	1.0
292.11002	3.5
299.09320	1.2
310.07083	0.6
311.09119	7.1
312.06381	1.0
327.08347	6.7
338.13983	0.9
339.07382	0.8
354.09778	1.1
354.16946	2.1
357.12042	3.8
358.43640	0.7
358.48322	0.7
372.14233	13.3
372.18167	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1805
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
58.06606	1.5
58.62823	0.4
87.13568	0.4
105.74557	0.3
118.67647	0.3
121.06515	0.5
121.10116	0.4
127.56361	0.4
137.05989	1.6
140.95499	0.4
147.04420	0.5
149.05975	6.6
150.06758	0.8
151.07533	9.3
161.06163	0.5
165.05359	0.5
165.09119	10.4
167.07050	0.6
175.06262	0.5
175.07562	1.3
175.09918	0.6
177.05449	3.8
177.09116	0.5
178.08662	0.8
179.07063	0.7
190.08604	13.0
191.07071	0.4
191.09428	2.1
192.10280	0.5
193.10995	2.6
194.11781	2.7
204.10194	34.7
205.10979	23.1
206.11794	6.2
222.11255	17.1
226.09740	0.4
241.12189	0.7
253.08708	0.5
253.12253	0.7
263.10727	4.2
267.09854	0.4
269.12030	0.8
276.07742	0.5
279.10287	0.8
280.10919	0.9
281.11780	0.9
285.11276	0.7
291.10089	10.8
292.10938	0.8
294.12833	0.5
308.09915	0.9
309.11191	0.7
310.12042	0.6
311.12503	0.7
313.14383	2.1
322.14392	2.9
322.28168	0.5
323.12109	0.5
323.15442	1.6
324.12415	1.5
328.11801	5.0
338.13879	2.5
339.14767	2.8
340.11874	2.2
341.13861	0.9
342.09650	0.7
347.64575	0.4
354.16949	5.1
356.11145	5.9
357.12122	4.3
372.14236	16.1
372.18143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1801
Annotation	Stepharotine
Peak:m/z	Relative Intensity
51.12475	1.0
57.71274	1.1
58.06607	100.0
58.22086	1.2
61.28255	0.9
72.40344	0.9
76.29853	0.9
78.34090	0.9
79.76071	0.9
84.49892	0.9
86.77812	1.3
89.27007	1.0
91.05490	1.6
103.05463	2.0
112.64155	1.0
112.67900	1.0
121.06497	15.8
149.04874	1.2
149.05959	30.1
151.03912	2.3
152.47034	1.1
160.08797	1.1
176.08379	1.0
190.08513	1.2
191.07033	22.7
191.10649	7.5
192.10213	20.9
193.12300	1.0
194.08127	3.9
204.10173	1.5
206.11751	23.5
206.13564	1.4
208.06148	1.1
222.11241	1.5
241.10973	1.8
264.10083	1.3
284.06836	1.3
295.09485	1.2
298.10614	6.6
299.09094	7.1
308.08945	1.1
309.10135	1.8
325.13251	1.3
327.04919	1.5
327.08624	6.7
340.15375	2.4
372.14261	55.6
372.18161	47.8
375.85190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2168
Annotation	epi-Bisdehydroneotuberostemonine J
Peak:m/z	Relative Intensity
55.05515	1.7
65.03946	1.5
67.05510	33.9
69.07071	2.0
71.05008	1.2
71.10028	0.8
79.05502	7.2
81.07061	54.7
81.87415	0.9
83.08592	1.9
85.06556	1.8
85.67852	0.9
91.05473	2.4
93.07039	12.9
95.04961	1.5
95.08607	44.2
105.07021	4.5
107.08594	13.1
109.06525	1.3
109.10149	8.0
117.07002	1.1
119.08490	0.9
121.06499	11.2
121.10145	6.2
123.08055	1.3
123.11626	1.0
131.08583	8.8
133.10158	1.2
135.08078	3.2
145.10106	3.4
147.11682	3.9
149.09587	1.7
149.13290	8.3
164.07056	51.0
173.13258	4.7
209.15417	1.2
305.54654	1.1
343.11148	1.2
372.14401	3.4
372.21658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30426	1.5
55.05526	3.3
57.03438	1.8
57.07074	10.6
63.72781	1.3
67.05514	21.5
69.07072	16.6
71.04993	11.3
71.08628	13.1
71.67723	1.5
72.81670	1.4
76.12801	1.3
77.42085	1.4
79.05498	3.1
81.07070	40.3
83.08637	2.3
85.06560	22.6
91.05476	2.8
93.07043	6.5
95.08614	8.6
97.06531	7.0
100.07622	1.5
107.08576	11.9
109.10148	7.1
111.11742	1.7
114.09222	1.5
121.10165	1.7
123.11729	19.5
133.10150	17.7
135.11682	27.8
137.44318	1.8
145.10117	2.4
151.11179	13.5
152.14336	24.5
153.12697	11.7
163.11252	2.3
169.12241	24.9
170.15419	8.0
186.14893	96.3
187.13287	80.1
198.14890	100.0
232.15456	39.0
249.48096	1.7
331.13635	18.4
354.33768	6.4
372.17896	2.5
372.22354	2.0
372.27139	2.3
372.34952	1.9
373.59146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45397	1.9
55.05516	5.0
57.03435	2.6
57.07082	11.4
57.41109	1.7
61.62744	1.6
61.70189	1.5
67.05508	16.5
69.07068	14.7
71.05009	2.7
71.08617	2.0
75.93371	2.0
76.91828	2.0
77.48438	2.2
79.05493	9.1
81.07062	46.3
83.04990	3.5
83.08648	14.6
85.06538	5.0
91.05492	15.4
93.07053	11.1
95.04959	2.8
95.08604	14.6
97.06531	9.4
100.07640	3.5
105.07042	15.7
107.08598	17.1
109.06527	4.3
109.10149	11.4
111.08105	2.7
114.09139	3.7
119.08568	19.1
121.10120	15.3
123.11712	34.6
126.09142	3.3
127.11235	2.1
133.10133	35.0
137.13264	2.9
147.11697	100.0
149.13263	11.8
151.11214	14.1
157.10150	13.8
161.09645	8.6
165.12747	44.8
167.14330	7.5
169.12222	3.3
175.11177	18.6
179.10667	8.5
182.15414	40.3
184.16972	36.1
186.14896	13.4
187.13329	10.5
193.12196	18.0
196.13373	3.3
208.26967	2.1
210.14899	85.8
214.14378	14.5
215.12794	15.9
228.15952	47.3
229.14464	16.5
246.17003	5.0
268.26367	11.6
269.26703	46.5
308.06299	2.1
336.25003	17.8
372.22498	19.6
372.27255	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3104
Annotation	L-Myristoylcarnitine
Peak:m/z	Relative Intensity
54.84607	1.3
55.05518	3.4
56.05035	4.0
56.96573	1.3
57.07082	1.6
58.06594	11.2
58.59538	1.5
63.72549	1.4
63.89574	1.5
67.05499	9.2
69.07068	7.1
69.09994	1.8
74.06063	2.9
75.29539	1.5
76.07652	2.7
79.05490	8.0
81.07077	12.8
83.08618	3.6
85.06590	1.5
86.06068	41.3
90.05562	8.0
92.21584	2.1
93.07034	9.7
95.08604	11.2
97.10163	2.2
101.70889	1.5
102.05540	9.7
104.07124	2.1
107.08598	4.0
109.10153	2.5
111.76923	1.5
121.10140	8.4
128.07098	1.8
132.06570	26.4
135.11673	2.0
145.25998	1.7
153.23288	1.7
212.23793	8.0
236.24193	1.8
278.28378	3.2
280.19751	2.0
280.29993	10.7
308.29477	10.3
324.29144	2.0
326.30582	3.1
331.15814	25.6
349.16748	30.5
354.30075	15.5
367.17737	2.0
372.18210	5.1
372.31070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20738	1.9
55.05516	4.5
56.05037	3.3
57.03439	9.2
57.07084	2.5
60.04246	4.0
60.04531	86.5
66.67616	2.1
67.05505	14.2
69.07074	10.1
70.06590	4.3
71.08636	4.1
72.04495	2.8
74.06080	22.2
74.80463	2.5
79.05497	8.9
81.03406	4.1
81.07057	18.7
83.08602	4.5
91.05474	3.4
93.07047	13.3
94.06579	5.1
95.08609	19.2
97.10162	4.4
98.06039	10.2
105.07047	4.6
107.08575	3.0
109.10136	3.9
109.22501	2.3
116.07086	17.2
119.08588	10.8
121.10191	8.9
128.07069	3.8
133.10115	10.2
141.93834	2.7
177.12804	4.0
195.13704	2.3
243.77475	2.7
250.25352	2.9
262.25262	37.8
263.23630	4.5
277.21643	4.0
280.26260	27.5
295.76224	2.5
298.27408	9.5
336.28952	12.4
354.25659	3.9
354.30026	100.0
372.18008	4.3
372.31104	33.9
398.78595	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.4
56.05054	2.7
57.07072	1.8
67.05506	4.4
69.07074	3.9
70.06599	8.5
71.08603	2.3
72.04522	3.6
74.06091	2.6
81.07057	4.4
83.08641	3.0
84.04511	32.9
86.06078	15.2
86.06520	2.3
88.02200	9.3
88.07637	35.8
95.08614	7.8
98.06059	34.6
100.07617	2.7
102.05499	3.6
109.10227	2.7
116.07086	33.6
138.09061	3.1
178.39322	2.1
191.09317	2.2
192.81355	2.4
247.21751	2.2
276.26776	3.6
278.50598	2.2
294.27820	2.3
306.27933	21.7
324.28830	18.9
331.22446	92.0
350.62448	2.4
354.30017	100.0
372.18103	8.5
372.31168	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3106
Annotation	(plusmn)-Myristoylcarnitine
Peak:m/z	Relative Intensity
54.53015	1.0
55.05515	2.2
55.76781	1.0
57.07081	2.7
59.38773	1.3
67.05502	4.8
69.07071	8.3
70.80910	1.2
72.04535	1.1
81.07049	7.9
83.08633	5.3
90.07513	1.1
95.08623	10.6
97.06533	1.5
97.10179	6.1
98.06054	2.3
107.08616	1.4
109.10115	5.4
116.07110	1.2
121.10166	2.7
123.11660	1.6
135.11667	1.8
149.13313	1.1
150.67403	1.2
238.72815	1.4
280.26257	10.6
298.27426	2.8
354.30045	2.0
372.31070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3104
Annotation	L-Myristoylcarnitine
Peak:m/z	Relative Intensity
51.46675	1.2
54.00019	1.5
55.05505	3.2
56.05032	6.8
57.07071	1.9
58.06592	9.2
62.97271	1.5
67.05499	9.8
69.07067	5.6
70.06580	2.0
74.06078	7.8
74.97209	1.3
76.33392	1.3
79.05469	3.6
81.07063	15.2
82.06589	1.8
83.08622	6.5
86.06070	38.2
88.07626	2.3
90.05581	10.9
93.07047	9.3
95.08607	14.3
96.22076	1.4
97.10159	3.2
102.05554	11.3
104.07113	1.8
107.08622	2.2
109.10175	3.7
116.94104	1.4
121.09322	1.6
121.10149	8.1
132.06558	25.0
135.11662	2.4
159.23624	1.7
172.71608	1.6
197.61906	1.5
200.87794	1.8
209.95459	1.6
278.28320	6.2
280.29962	8.0
308.29440	8.5
324.29013	1.8
326.30524	2.8
327.94742	1.6
331.15732	2.8
337.46329	1.6
349.16919	3.5
354.29910	18.3
372.31067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76864	0.6
58.06583	0.6
59.69703	0.6
68.08952	0.6
89.03896	5.5
91.05470	2.7
91.85986	0.7
92.98927	0.8
95.04996	0.9
117.03368	24.2
117.04188	1.0
119.04920	5.3
124.05243	0.8
137.05977	13.2
137.22163	0.7
145.02843	100.0
147.04408	5.9
149.05960	14.1
150.06737	0.9
151.07469	0.8
151.57359	0.7
162.06737	1.6
173.05933	1.8
175.03903	3.2
177.05453	81.1
183.03696	0.7
201.05467	17.5
219.06508	2.8
234.06638	1.0
237.09085	1.1
254.07703	1.1
257.06363	1.6
257.61951	0.8
265.08652	1.5
266.09314	0.8
271.07846	1.4
272.28076	0.8
276.59592	0.9
277.08725	0.7
293.07953	1.6
297.09460	0.9
298.06940	0.9
299.07462	11.9
313.08951	4.1
314.09766	6.5
325.10651	5.7
341.60251	0.8
343.11676	1.1
355.09937	1.0
373.10870	30.0
373.18411	2.3
396.26920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11258	0.5
54.76995	0.5
56.60973	0.6
58.69331	0.5
65.86205	0.6
67.66560	0.5
78.27060	0.6
83.26400	0.6
86.09706	2.8
89.03921	4.9
90.98953	0.6
91.05476	1.4
93.80410	0.5
99.05571	1.0
114.44670	0.7
116.07109	1.2
117.03381	25.0
119.04938	6.3
119.05999	0.6
121.06505	0.8
124.05262	0.8
128.91164	0.6
134.03661	1.0
135.04422	1.5
137.05986	14.5
145.02847	100.0
147.04362	5.6
149.05972	11.7
151.07535	1.0
161.06003	1.0
161.74994	0.6
162.06781	1.0
173.06027	1.5
175.03920	2.6
177.05464	93.7
179.07059	1.2
186.52971	0.7
201.05457	19.3
219.06424	2.3
237.09131	1.1
242.14934	1.1
257.06271	1.3
261.05438	0.8
265.08640	4.7
282.07013	1.0
293.08154	1.6
297.09607	0.9
298.07010	1.4
299.07431	10.8
305.08038	2.6
307.09546	1.2
313.09152	1.1
314.09525	2.9
325.10684	5.2
343.11823	1.0
355.11124	3.9
373.10931	25.5
373.18304	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11258	0.5
54.76995	0.5
56.60973	0.6
58.69331	0.5
65.86205	0.6
67.66560	0.5
78.27060	0.6
83.26400	0.6
86.09706	2.8
89.03921	4.9
90.98953	0.6
91.05476	1.4
93.80410	0.5
99.05571	1.0
114.44670	0.7
116.07109	1.2
117.03381	25.0
119.04938	6.3
119.05999	0.6
121.06505	0.8
124.05262	0.8
128.91164	0.6
134.03661	1.0
135.04422	1.5
137.05986	14.5
145.02847	100.0
147.04362	5.6
149.05972	11.7
151.07535	1.0
161.06003	1.0
161.74994	0.6
162.06781	1.0
173.06027	1.5
175.03920	2.6
177.05464	93.7
179.07059	1.2
186.52971	0.7
201.05457	19.3
219.06424	2.3
237.09131	1.1
242.14934	1.1
257.06271	1.3
261.05438	0.8
265.08640	4.7
282.07013	1.0
293.08154	1.6
297.09607	0.9
298.07010	1.4
299.07431	10.8
305.08038	2.6
307.09546	1.2
313.09152	1.1
314.09525	2.9
325.10684	5.2
343.11823	1.0
355.11124	3.9
373.10931	25.5
373.18304	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
69.03424	5.0
72.94040	0.9
81.04546	100.0
84.04565	1.3
85.02892	10.8
86.09711	9.7
94.14146	1.0
97.02883	5.4
99.04427	1.4
99.05590	4.4
107.04951	2.3
109.02876	3.9
109.03215	1.2
109.04002	29.0
116.07085	1.5
127.03957	5.9
127.05032	81.4
130.04955	1.8
137.05977	11.5
147.07652	5.6
163.07518	1.5
164.07117	2.1
169.06119	4.0
195.10123	1.2
229.00139	1.8
234.99075	6.6
235.07048	1.6
253.08165	29.6
271.09222	28.1
319.04819	1.8
327.06683	1.2
350.31247	1.1
355.15118	1.6
373.03928	1.7
373.16153	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22591	0.3
53.03938	0.4
54.92477	0.2
57.25045	0.3
65.58078	0.3
68.05036	0.3
69.03421	1.3
70.06608	1.1
81.03422	1.7
85.02906	1.9
92.62675	0.3
95.06094	16.2
97.02889	1.8
99.04460	8.5
108.08150	0.4
109.02901	0.5
113.07130	100.0
127.03880	0.6
152.07047	0.6
155.08144	0.4
167.07008	0.5
172.76105	0.3
175.12529	0.3
179.31357	0.3
186.60149	0.3
194.02829	0.3
211.06194	0.3
312.28949	0.3
314.96365	0.3
373.16074	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
55.01873	3.9
76.24740	2.5
79.05530	2.6
91.05489	35.0
93.07041	3.6
95.08579	2.8
103.05511	3.4
105.03397	6.2
105.07020	5.8
107.04998	3.2
107.96188	2.9
109.06514	11.5
109.10184	3.7
119.04952	78.2
121.06480	5.8
124.05213	5.8
133.06497	13.8
135.08063	3.8
137.05974	19.2
138.06755	24.4
147.04405	22.9
150.06760	12.9
151.07556	64.0
162.06729	3.1
163.07567	31.8
165.05463	60.8
165.09106	100.0
179.07027	38.0
180.07901	2.7
189.09122	5.2
193.08578	36.9
194.09375	90.8
207.10120	29.7
217.08374	3.1
253.11900	3.1
327.07336	21.6
350.08719	5.8
373.16229	20.2
373.23975	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36917	0.4
54.76429	0.3
58.06608	5.0
59.06933	0.5
62.43427	0.4
69.94382	0.4
72.08155	0.7
76.47131	0.4
80.27048	0.4
82.26261	0.3
85.02898	0.4
98.03999	0.4
109.03996	1.6
119.08629	0.4
121.06464	0.4
127.05044	2.0
157.78479	0.4
159.08244	0.4
182.38615	0.4
193.12000	2.9
195.13531	4.2
196.03702	1.5
201.03680	7.8
203.05243	7.6
211.05968	4.4
218.16664	0.5
283.85727	0.5
355.10086	3.0
373.10706	3.0
373.14813	6.1
373.18372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2348
Annotation	Bengamide F
Peak:m/z	Relative Intensity
55.58332	1.6
62.12321	1.6
83.08607	2.8
94.28126	1.7
127.07537	2.3
138.55690	1.8
152.05594	2.2
155.35826	1.8
254.40974	1.9
344.69211	2.1
373.11804	2.3
373.23434	100.0
373.30789	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2372
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03958	11.1
55.01868	1.2
55.05513	5.1
64.32115	0.7
65.03940	0.8
67.05512	8.2
69.07053	4.5
71.04986	1.4
79.05501	6.7
79.05866	0.7
81.03431	17.1
81.07060	9.7
83.08617	4.6
85.06525	1.5
90.78793	0.7
91.05474	17.8
93.07032	8.9
94.39570	0.8
95.04960	1.7
95.08604	9.4
97.10172	1.0
99.04455	75.5
100.52891	0.8
105.07034	26.6
107.08586	7.1
109.06524	1.0
109.10165	3.6
111.08105	0.9
117.07014	14.5
119.08564	17.5
121.10139	5.1
122.11527	0.9
122.65174	0.9
123.08019	1.0
129.06953	5.9
131.08556	23.9
133.10138	23.7
137.09691	1.4
141.06932	1.0
143.08572	5.8
145.10130	37.4
147.11687	17.5
149.09622	1.0
149.13303	0.9
155.08546	2.1
157.10123	5.5
159.11682	26.5
161.09615	1.4
161.13226	5.0
163.11134	1.5
169.10147	3.6
171.11652	6.9
173.09525	0.9
173.13222	12.6
183.11673	4.6
187.11197	1.0
197.13283	3.7
211.14952	0.9
213.16431	1.0
229.19528	3.5
239.17955	6.5
257.18954	30.3
275.20029	9.8
327.75751	1.0
328.59238	1.0
343.04010	4.5
373.08636	4.3
373.23712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3311
Annotation	AKD 2B2
Peak:m/z	Relative Intensity
55.05514	14.4
57.03447	10.2
57.07084	92.1
62.48839	2.4
67.05521	24.7
69.07060	22.5
71.08636	80.0
75.04482	3.6
77.37644	2.4
78.00931	2.6
81.07066	36.5
83.08637	17.9
85.10191	57.0
90.21405	2.3
93.07062	2.3
93.68401	2.9
95.08613	47.7
97.10195	18.5
109.10155	29.1
111.11721	5.5
121.69872	2.6
123.11707	11.9
125.22968	2.6
137.13197	3.7
238.97839	2.6
281.28354	34.7
291.39270	2.9
299.29349	4.8
312.55319	2.5
335.18326	2.9
355.32129	100.0
373.18469	5.8
373.28510	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12148	1.1
50.62472	0.9
75.40820	1.2
82.48483	1.2
95.08598	1.2
100.36910	1.3
101.20966	1.3
109.22726	1.4
139.69237	1.3
174.05559	1.7
280.98114	1.3
330.03598	1.6
358.03387	1.6
359.04202	2.0
374.06335	100.0
374.10342	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07019	0.9
67.05477	1.3
73.83236	1.0
84.40086	1.1
92.21497	2.3
100.49999	1.0
124.42136	1.2
136.06236	5.3
184.11992	1.2
185.16559	1.6
311.20963	1.2
320.09055	6.3
374.06339	100.0
393.60193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72048	0.3
57.03439	0.7
58.06595	0.4
61.02921	1.8
69.03445	2.7
69.79056	0.3
73.02929	0.4
75.95728	0.4
80.08022	0.4
81.03411	0.8
82.29268	0.3
85.02904	15.2
86.85036	0.4
87.04488	0.5
89.03907	0.6
97.02900	3.8
99.04464	0.6
109.02886	0.7
117.03345	2.9
118.17570	0.4
127.03917	2.9
144.64342	0.4
145.02852	28.7
145.04759	3.1
149.05968	0.7
153.05502	0.6
163.03870	1.6
177.05463	100.0
180.08635	2.3
186.05472	0.4
192.34657	0.4
195.06528	45.3
212.09103	0.7
270.07663	2.1
296.05554	2.0
314.06668	5.0
314.10022	0.7
316.11728	0.7
356.07761	3.6
360.88409	0.4
373.21402	0.4
374.08319	4.1
374.12036	3.4
399.39322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0869
Annotation	CV 2961
Peak:m/z	Relative Intensity
52.16075	0.6
58.06596	2.6
85.02913	7.7
86.09695	1.8
88.45585	0.7
97.02890	1.5
101.58530	0.7
117.03381	0.8
121.06457	0.8
122.40016	0.7
127.03957	1.3
137.05971	66.3
145.02832	5.2
145.04890	1.0
146.03156	3.3
150.06297	1.0
177.05411	5.2
178.05826	3.4
182.08540	0.8
195.10121	6.2
224.07092	1.5
225.07796	6.2
226.08627	1.8
228.06393	1.2
241.10976	1.0
242.08197	1.8
254.08009	5.7
255.05220	1.6
257.06839	6.1
269.06720	8.8
270.07556	45.1
270.10474	1.6
282.21933	0.8
284.09167	25.3
286.10382	1.2
296.05594	10.7
297.06375	1.2
298.07068	61.1
300.07672	1.1
301.06027	5.2
312.08728	10.8
314.06546	62.1
328.08112	48.6
356.07596	26.6
356.11722	0.8
374.08578	100.0
374.16028	3.0
374.21506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77376	3.4
56.10004	3.0
63.78057	3.3
66.24053	3.6
67.01949	3.2
68.63828	3.8
72.30603	3.5
75.32749	4.0
78.33511	3.8
81.56688	3.8
99.89684	3.8
122.52821	4.3
138.25024	3.6
210.69962	4.8
260.47031	3.7
330.11087	5.1
359.11630	4.9
374.09909	100.0
374.13950	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38033	0.5
60.73760	0.5
61.27131	0.6
68.74440	0.6
69.11586	0.5
77.92693	0.5
81.96555	0.5
133.06546	0.6
205.83005	0.6
292.73837	0.6
329.06906	0.9
330.07581	10.0
331.08438	0.9
346.10733	3.9
358.07062	29.2
359.07831	9.9
366.23618	0.7
372.08878	0.9
374.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01602	0.9
55.88127	0.8
57.70632	0.8
59.73989	0.8
60.49822	0.8
82.47118	1.0
86.22572	0.8
101.11906	0.8
111.53521	0.9
245.77695	0.9
303.08936	8.0
316.06198	1.2
330.07608	37.4
331.08282	8.8
342.07605	3.9
344.05521	9.7
346.07147	4.5
358.07062	50.1
359.07855	22.9
374.10233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77713	0.8
54.61943	0.7
56.34981	0.8
58.06611	7.1
145.31682	0.8
146.76276	0.8
177.05501	1.6
238.08556	5.8
239.09349	10.3
240.10143	1.2
254.08090	45.9
265.55301	1.0
266.08133	7.8
268.09702	7.5
269.10483	1.2
270.11273	19.3
271.08307	1.4
298.10739	100.0
342.09744	29.2
349.83157	0.9
374.07825	1.7
374.12274	36.8
374.15704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77713	0.8
54.61943	0.7
56.34981	0.8
58.06611	7.1
145.31682	0.8
146.76276	0.8
177.05501	1.6
238.08556	5.8
239.09349	10.3
240.10143	1.2
254.08090	45.9
265.55301	1.0
266.08133	7.8
268.09702	7.5
269.10483	1.2
270.11273	19.3
271.08307	1.4
298.10739	100.0
342.09744	29.2
349.83157	0.9
374.07825	1.7
374.12274	36.8
374.15704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.46259	0.4
58.06608	100.0
69.03432	0.5
69.07056	2.0
71.05020	0.6
73.02927	0.4
81.03418	3.0
83.04990	0.6
84.04521	0.6
85.02905	1.2
86.09724	8.0
87.03217	0.9
88.04008	2.1
93.37545	0.4
96.04496	0.7
96.08112	0.8
97.02918	2.9
98.09715	2.1
98.97348	0.4
99.04463	10.6
102.84353	0.5
105.07043	1.0
109.02859	0.7
111.04462	1.0
112.03980	0.8
120.04484	4.1
125.04725	8.7
126.05486	0.9
127.03952	2.8
128.10727	1.2
132.10243	1.2
133.06525	0.9
138.05547	2.8
143.05804	1.9
151.07558	4.1
156.10281	0.5
161.06845	0.9
163.03973	2.1
166.05031	0.7
178.12350	0.8
184.06154	0.7
193.72588	0.5
194.11766	7.8
199.07697	0.6
211.07709	0.9
212.12842	5.3
222.11200	4.4
230.13885	7.9
239.07120	0.9
240.12196	4.0
258.13342	4.6
276.14551	2.7
284.12985	1.0
312.12286	3.5
328.17691	2.5
330.13528	2.7
346.18832	0.6
356.17072	13.5
359.09695	0.6
374.12473	7.7
374.18170	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1233
Annotation	CHEBI:66800
Peak:m/z	Relative Intensity
51.01124	0.5
58.06609	9.6
61.47264	0.5
65.92889	0.6
70.07388	0.7
77.70042	0.6
91.05492	0.9
99.04527	0.8
109.02865	2.8
110.43344	0.6
114.79144	0.7
119.04923	0.8
149.05995	13.8
149.49837	0.7
163.03903	5.7
167.03375	1.4
177.05455	8.1
188.07066	18.7
189.07843	10.0
206.08112	11.7
223.07523	1.1
225.05630	0.8
225.07758	0.8
227.06958	1.2
239.06979	0.9
251.06992	1.4
253.06998	5.4
255.06557	3.9
257.06824	1.1
268.05966	0.8
269.08105	1.3
271.09686	5.0
279.06522	1.0
281.06665	6.1
283.05991	27.9
286.06946	5.6
289.07101	1.1
297.07510	9.4
298.07141	3.3
299.09167	6.4
312.09290	0.8
315.08261	0.9
343.08060	16.9
356.11197	1.2
374.08609	7.7
374.12289	100.0
374.15985	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85580	0.6
58.74239	0.4
58.95593	0.6
58.95853	0.5
60.72307	0.5
61.02939	0.7
65.47450	0.7
69.03425	1.0
81.03428	1.2
85.02905	12.7
89.03910	0.7
97.02872	3.5
117.03352	1.2
127.03900	3.1
145.02844	26.2
145.04932	3.5
147.43465	0.7
149.05956	1.0
150.39520	0.6
177.05458	100.0
180.08618	1.5
187.14296	0.8
195.06526	45.1
197.82118	0.6
268.89706	0.7
312.12735	0.7
341.08597	0.8
374.15701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	10.7
69.03422	2.7
85.02913	12.5
88.21211	1.3
97.02905	2.9
99.26756	1.1
102.11817	1.2
117.03381	1.8
127.03945	2.4
130.75822	1.1
145.02850	30.9
145.04881	1.3
147.84618	1.2
149.06017	1.4
150.76308	1.2
173.74495	1.4
177.05461	100.0
180.08684	1.7
192.04393	1.3
195.06523	50.0
207.12143	1.7
267.13708	1.4
314.09280	2.0
341.16159	4.4
370.74976	1.3
374.11472	4.8
374.15363	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03438	0.6
58.06601	3.4
61.02928	2.1
67.77246	0.5
69.03431	2.8
69.17779	0.5
85.02911	18.7
87.04480	0.6
89.03959	0.7
97.02897	2.5
109.02890	0.8
117.03365	2.8
127.03926	5.4
134.11215	0.5
137.03355	0.6
145.02859	28.0
145.04944	3.2
149.05925	1.7
153.05585	0.7
163.03969	1.9
172.21706	0.6
177.05472	100.0
180.08725	3.8
195.06538	46.7
253.83455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1593
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
57.44334	0.5
58.06608	100.0
62.98180	0.5
67.05503	0.7
67.31863	0.6
85.02936	0.9
86.09708	1.3
96.45724	0.6
99.04481	1.0
123.08095	0.9
123.81184	0.6
137.06012	0.7
145.02899	0.9
149.06041	1.1
151.07495	6.5
162.80379	0.7
167.07109	1.0
177.05463	4.7
177.78845	0.6
180.10223	0.6
189.18123	0.6
190.08707	1.2
192.10170	9.3
194.10733	0.7
195.06651	0.8
205.08714	0.6
206.08206	1.4
208.09621	0.9
210.11365	2.7
239.07013	0.7
241.08801	0.6
241.11031	1.4
251.06970	0.8
253.08664	1.5
254.08194	0.9
265.08661	0.9
267.10226	0.9
271.09695	3.6
273.72919	0.7
281.08142	1.4
283.09808	1.2
296.10458	2.7
314.10138	4.9
327.14529	1.0
329.10056	1.0
341.16193	31.6
342.13498	5.7
359.09647	0.8
374.02991	0.7
374.12140	12.7
374.15948	36.2
374.19580	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18783	0.2
55.40870	0.3
55.61258	0.2
58.06606	8.2
58.06876	0.3
61.56620	0.3
72.08174	0.5
107.07867	0.3
124.38842	0.3
168.05672	0.3
191.09067	0.3
203.70244	0.3
213.05511	0.6
223.03831	2.4
227.06900	0.5
240.04184	0.6
241.04919	1.5
243.10187	0.6
252.07785	1.3
253.08513	2.4
254.05762	1.6
255.06499	65.3
256.07404	0.3
269.08023	0.7
287.09070	0.5
296.06995	0.4
297.07602	2.5
311.09140	6.4
314.07831	24.5
329.10165	100.0
374.15851	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18783	0.2
55.40870	0.3
55.61258	0.2
58.06606	8.2
58.06876	0.3
61.56620	0.3
72.08174	0.5
107.07867	0.3
124.38842	0.3
168.05672	0.3
191.09067	0.3
203.70244	0.3
213.05511	0.6
223.03831	2.4
227.06900	0.5
240.04184	0.6
241.04919	1.5
243.10187	0.6
252.07785	1.3
253.08513	2.4
254.05762	1.6
255.06499	65.3
256.07404	0.3
269.08023	0.7
287.09070	0.5
296.06995	0.4
297.07602	2.5
311.09140	6.4
314.07831	24.5
329.10165	100.0
374.15851	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18783	0.2
55.40870	0.3
55.61258	0.2
58.06606	8.2
58.06876	0.3
61.56620	0.3
72.08174	0.5
107.07867	0.3
124.38842	0.3
168.05672	0.3
191.09067	0.3
203.70244	0.3
213.05511	0.6
223.03831	2.4
227.06900	0.5
240.04184	0.6
241.04919	1.5
243.10187	0.6
252.07785	1.3
253.08513	2.4
254.05762	1.6
255.06499	65.3
256.07404	0.3
269.08023	0.7
287.09070	0.5
296.06995	0.4
297.07602	2.5
311.09140	6.4
314.07831	24.5
329.10165	100.0
374.15851	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	10.0
63.44377	0.2
64.98801	0.3
72.08159	0.3
79.81170	0.3
92.20937	0.5
98.74626	0.2
120.31005	0.3
122.05867	0.3
193.18756	0.3
212.04579	0.4
212.67024	0.3
213.05380	0.4
223.03862	2.6
227.06982	1.3
240.04192	0.3
241.04904	1.8
242.23447	0.3
243.10222	0.4
251.07005	0.5
252.07692	1.4
253.08688	2.0
254.05724	2.2
255.06494	65.8
269.08035	0.3
287.09195	0.3
297.07541	2.8
311.09167	5.8
314.07806	25.3
329.10168	100.0
374.15918	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1595
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
52.18393	0.8
58.06611	11.5
58.48317	0.8
66.31368	0.8
72.08172	1.3
85.69209	0.9
86.09717	1.9
137.05989	1.3
149.06038	1.1
151.07581	6.6
166.25607	1.1
177.07855	0.9
178.08662	4.1
180.10240	1.6
190.08585	1.5
192.10239	2.0
206.08186	5.7
211.07555	2.3
224.09245	6.6
225.09189	4.2
237.09135	2.2
239.07124	5.7
241.10841	1.1
253.08606	9.7
265.08710	4.9
267.10233	2.0
268.09677	1.6
269.08102	1.6
271.09647	12.1
278.05811	1.0
281.08185	1.2
282.08704	1.5
284.12891	2.3
285.11203	14.3
286.19965	1.4
293.08228	3.9
295.09824	1.6
297.11288	8.9
313.10742	4.0
328.15643	1.4
330.09894	2.2
356.14795	7.8
358.09323	2.2
359.10052	2.3
374.12204	13.1
374.16095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	periglaucine A
Peak:m/z	Relative Intensity
55.14561	0.2
58.06609	15.4
62.09122	0.2
78.71782	0.3
86.09698	0.5
114.54057	0.3
121.06548	0.3
137.05943	0.6
149.24915	0.3
151.03909	0.3
151.07573	1.3
161.06046	0.4
165.05505	0.6
177.05534	0.3
180.10147	0.3
190.08615	0.7
192.10190	1.6
193.04942	0.7
193.08563	0.5
209.06030	1.5
211.07599	1.2
212.08487	0.5
222.11147	0.4
223.07532	0.3
224.08492	0.5
225.09128	0.5
235.07574	1.1
237.09187	0.6
239.07086	2.7
240.07756	2.2
241.08670	1.8
242.09401	0.4
251.07228	0.5
252.07785	0.4
253.08623	2.0
254.09370	1.5
255.06490	1.4
255.10184	0.5
256.07346	0.4
257.08057	1.7
258.08972	0.4
265.08636	1.3
266.09412	0.5
267.10086	1.2
268.09732	0.6
269.08063	7.6
269.10834	0.6
270.08850	2.4
270.11469	0.6
271.09573	1.2
272.10461	6.9
282.08792	0.5
282.11514	0.5
284.10370	6.7
284.12946	5.6
285.11163	1.5
286.10876	2.4
287.11584	1.6
293.08282	0.4
296.12778	0.4
297.08054	0.3
297.11215	1.6
298.14377	1.2
300.12283	10.8
301.10782	1.7
307.09705	0.4
314.13806	3.8
315.14679	7.2
329.10208	0.6
342.13431	1.1
356.14908	1.7
359.13745	0.4
374.15997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
57.12006	0.5
58.06602	4.3
69.07054	0.6
70.06596	1.4
75.22418	0.5
86.09705	22.9
99.26443	0.5
101.06825	0.6
104.32640	0.5
109.06545	0.8
121.26710	0.6
137.05933	0.7
146.76027	0.6
148.06097	1.0
151.07503	6.0
162.89532	0.6
164.07094	0.9
165.05466	7.9
165.48213	0.6
173.95302	0.6
177.05505	0.9
178.08598	2.5
179.07098	1.0
179.09421	0.8
190.08609	3.9
192.10191	43.7
193.04945	1.1
194.08174	0.8
199.18066	3.5
206.08060	0.9
207.08034	0.8
208.09705	11.2
225.09125	6.6
227.17511	3.2
229.07303	0.8
229.39319	0.8
237.09114	1.2
239.06949	0.8
241.11053	0.8
253.08647	5.4
265.08649	1.2
270.08920	0.9
271.09525	0.7
281.08005	0.8
284.09122	20.0
285.11264	11.0
293.07990	2.2
296.12848	0.9
297.11203	2.5
298.10904	0.8
299.07877	5.8
300.08652	15.3
309.06381	0.9
313.09473	1.0
314.10214	13.4
328.12036	0.8
328.15451	3.7
341.08923	1.4
341.12686	1.1
356.14908	30.7
359.13528	0.7
374.12091	25.8
374.15961	100.0
376.14276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1594
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
56.86409	1.1
58.06607	100.0
61.33409	1.0
79.40316	1.0
89.97457	1.1
93.13863	1.1
149.05875	1.1
151.07616	1.6
153.80295	1.2
163.03880	1.7
164.07002	1.6
176.07060	1.6
177.05443	1.4
178.08632	4.6
183.80719	1.1
190.08582	1.9
192.10193	24.7
206.08199	1.4
208.09631	2.2
210.11728	1.1
211.07486	6.1
212.03557	1.1
239.06989	2.2
253.08554	2.4
257.08035	1.9
271.09644	9.6
279.06546	1.6
283.09436	5.3
293.08035	2.6
300.08698	5.6
307.09329	2.2
314.06519	1.4
314.13843	2.5
341.13260	1.1
341.16290	15.6
342.13379	21.0
374.11673	13.6
374.15924	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	70.1
108.85042	1.6
115.14289	1.7
130.06529	2.0
151.07480	2.5
192.10239	14.7
224.06987	3.0
225.07796	2.4
254.08269	2.2
257.06818	3.4
265.18631	2.0
270.07651	31.2
271.09595	3.2
284.09171	7.7
296.05548	33.6
298.07080	3.3
300.08627	3.9
301.05853	2.2
312.08612	7.9
314.06570	96.4
314.10178	3.4
328.07925	1.9
341.16248	38.5
342.13144	10.4
356.07605	67.5
374.08572	100.0
374.15607	37.8
374.20209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1595
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
52.97805	0.4
58.06606	33.0
65.69046	0.4
75.31638	0.4
80.75337	0.4
83.03585	0.4
85.56269	0.4
89.40669	0.5
92.27760	0.5
97.69081	0.5
112.37149	0.5
131.68159	0.5
139.36830	0.5
155.04430	0.6
155.40784	0.6
172.07179	0.8
209.06009	0.7
253.07364	1.2
253.34416	0.5
269.08054	2.0
281.06888	2.6
286.07339	0.6
297.07880	0.6
299.07761	1.1
301.10727	0.7
324.06387	0.6
329.10095	0.9
359.12994	0.9
374.08395	4.2
374.15967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08035	1.9
55.01862	3.0
56.50332	2.1
58.06602	26.0
69.03430	2.8
71.04982	4.1
81.03425	14.7
83.04986	3.4
84.04518	3.2
85.02902	12.4
86.09709	41.8
88.03979	17.5
96.04478	3.7
96.08099	2.8
97.02879	19.6
98.09680	5.5
99.04457	39.5
104.28638	2.6
104.40781	2.4
109.02882	4.1
110.06022	9.4
110.23453	2.2
111.04455	10.4
112.03938	4.1
120.04478	28.8
122.25755	2.5
124.03931	4.0
125.04720	65.7
126.05476	3.7
127.03888	12.1
128.10716	4.8
132.10196	4.3
135.06606	2.4
138.05504	21.4
140.10710	5.0
143.05760	9.8
150.09093	2.6
152.10748	2.9
164.10677	4.3
166.05002	5.2
166.12320	2.7
176.10681	6.0
178.12241	16.8
182.11809	2.4
182.52289	2.8
184.06024	9.4
185.91460	2.3
192.10182	3.0
194.11768	38.0
212.12758	34.5
222.11241	30.7
230.13837	35.2
239.07071	4.3
240.07971	4.1
240.12254	26.1
241.08446	3.4
257.07938	2.6
258.13257	29.7
269.08029	15.0
272.10583	17.0
276.14285	18.0
282.08490	2.8
284.10211	18.9
284.13065	18.8
286.10730	5.4
287.11472	4.7
297.11221	3.1
298.47318	2.4
300.12231	32.5
301.29388	2.8
314.13815	11.0
315.14603	23.5
356.10297	3.9
356.16989	93.3
374.11917	27.6
374.16226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86396	1.8
53.03956	3.2
55.01875	3.0
55.45894	1.9
57.03422	2.7
58.06596	4.4
69.03413	5.2
70.06617	2.0
71.04996	5.3
81.03415	17.0
81.07074	2.3
83.04985	4.8
84.04519	2.6
85.02900	11.9
86.09708	46.7
87.03194	4.0
88.04003	22.6
94.29432	2.2
97.02897	21.4
97.05206	3.1
97.21198	2.2
98.09686	9.4
99.04462	46.8
99.18502	2.1
101.04792	2.3
108.04488	3.3
109.02871	4.0
110.06042	4.2
111.04389	3.3
112.03946	5.4
113.94186	2.5
114.05606	2.2
120.04469	24.7
124.03908	2.5
124.07543	3.0
125.04735	68.2
126.05544	2.7
127.03929	9.2
128.10663	3.7
132.10213	4.6
135.06731	3.6
135.24808	2.1
137.06023	2.7
138.05478	23.4
140.10690	5.1
143.05771	10.9
148.03964	3.4
156.06572	4.1
164.10753	3.4
166.04984	5.2
176.10690	4.2
178.12256	11.1
184.05960	4.2
194.11763	43.9
203.05273	2.5
210.02997	2.1
210.11185	3.5
212.12799	33.2
222.11197	30.3
230.13835	35.3
240.07895	2.2
240.12289	25.0
258.13266	32.0
269.07993	9.3
272.10297	8.6
273.30417	2.8
276.14380	12.0
284.10251	5.3
284.12918	8.3
292.26419	2.7
299.07944	2.9
300.12305	16.1
315.14566	10.3
328.17398	12.9
346.18619	2.6
356.13553	3.7
356.17035	100.0
374.11923	8.8
374.16269	36.0
374.18054	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20858	0.4
51.73462	0.4
56.22842	0.4
56.86238	0.4
61.02944	0.8
65.21779	0.4
69.03427	0.7
74.92415	0.5
75.20985	0.4
81.03440	0.6
85.02903	8.0
85.05616	0.4
87.04478	0.6
90.20192	0.5
97.02901	2.4
109.02857	1.0
121.06495	0.9
127.03971	1.0
137.05981	100.0
145.04956	1.7
146.03160	0.5
165.75824	0.5
180.08647	0.7
195.10162	9.0
212.12810	1.0
258.06686	0.6
270.07547	2.1
284.09329	0.7
298.07190	3.0
314.06583	1.8
328.08344	1.0
334.82620	0.4
343.81854	0.5
356.07397	1.0
374.08475	3.9
374.16208	0.6
374.22058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	6.7
61.56596	0.6
69.09048	0.6
74.85406	0.6
97.96774	0.7
110.97563	0.7
115.97868	0.8
127.99084	0.6
128.98610	1.5
131.00084	1.1
133.26640	0.7
140.98473	0.8
143.00145	1.0
146.99644	3.2
163.63193	0.6
174.99034	1.0
177.02275	0.6
189.00554	2.5
190.05055	0.8
203.02145	0.8
208.06158	0.7
222.07693	0.6
227.09561	0.9
241.11142	2.9
252.10210	2.0
259.12323	2.2
263.09573	5.6
264.10239	1.0
270.11368	1.3
303.12854	2.3
305.07025	0.6
313.14505	0.8
315.16275	49.5
331.15808	3.4
333.13620	11.1
333.17319	100.0
349.07587	3.0
351.18402	42.7
356.19009	6.3
358.94849	0.7
364.08051	1.2
369.19571	0.9
374.10031	1.1
374.19946	3.2
374.32712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	3.6
66.09348	2.8
84.62253	3.8
92.20943	6.3
95.48475	3.1
100.59641	3.4
120.23819	3.5
333.17285	51.0
333.20493	4.4
351.18365	100.0
369.19406	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.1
66.93324	2.0
74.34149	1.9
135.42883	2.2
147.74562	2.1
153.25487	2.4
237.08096	4.3
258.18561	2.4
333.17276	30.9
333.20538	3.9
351.18433	100.0
369.19421	48.4
374.19778	3.9
374.32703	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.2
71.97421	1.0
74.97539	1.0
87.09795	1.0
91.01559	1.0
96.51498	1.2
99.08183	1.0
110.97541	1.3
111.94305	1.3
114.13854	1.1
122.48213	1.1
128.98590	1.9
146.99753	1.6
169.01527	1.3
189.00648	1.9
241.11124	2.5
252.10330	2.4
259.12378	1.2
263.09659	2.1
304.32608	1.4
315.16275	51.4
331.15961	2.7
333.13651	10.6
333.17319	100.0
351.18393	52.1
353.34589	1.3
356.18942	4.8
374.10352	1.7
374.19818	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73357	0.6
55.01881	1.7
55.05523	1.1
56.60529	0.7
67.05505	6.4
69.07080	1.1
71.04997	7.5
75.92499	0.7
79.05490	1.4
81.07078	3.7
83.04985	4.6
91.05476	1.1
93.07054	3.1
95.08588	2.9
97.06512	0.9
99.04434	2.7
105.07008	1.3
107.08626	1.1
109.06476	1.3
109.10168	12.0
111.04449	32.2
111.08075	5.2
113.05995	5.6
117.07066	0.8
119.08564	1.5
121.10129	4.6
125.09595	0.8
129.07018	1.2
129.55798	0.7
131.08562	3.1
135.11691	8.4
145.10127	5.7
145.27165	0.7
147.11713	3.9
149.09619	2.9
153.12732	14.1
163.11180	31.4
173.09587	6.0
181.10616	1.5
181.12231	45.6
191.10672	41.7
209.11708	13.6
227.12775	100.0
245.13789	10.2
287.28900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81697	0.9
62.70972	1.0
69.07018	1.0
81.20679	1.0
84.65721	1.0
136.77646	1.2
155.87563	1.4
155.88869	1.3
209.84850	1.1
307.80640	1.5
312.32507	2.1
346.27121	18.7
357.28976	2.1
371.99283	1.2
374.26627	100.0
374.30997	11.6
374.36008	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.5
60.04517	3.2
67.05509	3.7
68.05012	1.9
69.07061	6.4
72.04519	48.4
72.65679	1.7
74.06072	9.3
76.03995	7.9
79.05498	2.3
81.07051	7.4
83.08603	1.9
85.64349	2.0
86.06053	2.8
88.03998	13.2
92.20947	1.7
93.07038	2.6
95.08601	6.6
96.62196	1.4
99.63602	1.6
102.05522	2.0
107.08554	1.8
109.10119	1.8
110.19494	1.9
114.05497	2.7
118.05018	56.0
121.10108	2.2
162.65167	1.5
228.11032	1.6
242.65283	1.7
338.26691	3.1
356.27939	9.5
361.08792	1.9
374.10257	6.3
374.28989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
56.05010	1.4
56.41636	1.3
56.43961	1.4
58.06615	1.5
60.04518	3.3
67.05490	5.7
69.07065	7.4
72.04155	2.4
72.04522	49.5
74.06079	10.3
76.04004	9.1
80.12457	1.4
81.07069	9.6
83.08630	2.7
85.12023	1.5
88.03996	16.1
90.05544	2.6
91.05540	1.9
93.06999	2.8
95.08620	11.4
97.10167	2.8
100.05501	1.6
102.05548	1.7
109.10147	3.0
114.05508	3.0
114.92314	1.4
118.05010	67.3
121.10193	2.3
130.66507	1.5
140.56972	1.5
145.04988	3.9
154.40565	1.5
256.26465	7.7
338.26831	1.9
356.28162	9.2
356.32587	1.7
374.29053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	1.4
77.45492	0.8
78.92017	0.8
80.05058	1.2
81.07054	1.9
84.04508	1.4
93.07013	1.2
95.08592	1.7
100.74030	1.0
101.06019	4.1
121.06515	4.7
138.18892	0.9
166.44249	0.9
189.07713	0.9
205.73149	1.1
293.47372	1.0
333.14737	13.1
346.31378	1.2
356.30890	6.5
374.22867	6.5
374.30316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02472	1.4
53.62910	1.5
55.05502	1.6
57.07055	2.2
65.97827	1.6
77.45627	1.7
79.56110	1.4
82.50340	1.8
87.63283	1.6
88.43442	2.0
95.51669	2.0
100.98106	2.1
101.81982	2.0
121.06506	22.8
129.09116	26.7
160.36794	1.9
216.48798	1.7
282.31638	2.2
285.53436	1.9
374.30225	100.0
378.43613	1.9
394.43204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.2
56.05039	8.5
57.07087	2.5
58.06599	10.8
61.48694	1.4
65.77024	1.7
67.05508	7.2
69.07076	7.7
70.06597	1.6
74.06077	3.4
81.07066	6.7
81.34926	1.4
83.08641	1.8
86.06072	34.4
90.05559	13.0
90.50321	1.3
91.39088	1.8
95.08578	11.6
97.10152	3.0
100.22838	1.5
102.05544	8.8
103.43584	1.5
104.07112	2.7
109.10137	2.9
132.06557	26.9
192.55040	1.7
194.73973	1.9
196.38152	1.6
199.99323	1.7
266.28287	2.5
280.29926	15.5
282.31549	21.6
292.30374	2.5
310.30899	12.6
326.30496	2.7
328.32333	1.9
333.17258	6.6
351.18433	6.9
356.31598	18.7
374.32663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.2
57.07072	2.5
58.06596	3.1
58.53926	1.5
65.02090	1.5
67.05484	8.9
69.07063	15.8
71.08633	3.3
73.26421	1.5
81.07034	10.2
83.08628	17.2
93.07028	3.0
95.08602	18.1
97.10139	11.6
107.08582	2.8
109.10130	11.1
111.11650	2.2
113.14440	2.2
121.10112	12.6
123.11670	3.1
125.00820	1.7
135.11644	11.2
142.48462	1.6
149.13216	2.9
151.09853	1.8
215.39633	1.9
222.98119	1.6
247.24147	2.7
265.25186	7.1
282.27725	9.1
322.13095	1.8
326.32773	1.9
374.32449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	6.9
64.24973	0.3
73.02902	0.5
77.77643	0.3
79.81407	0.3
85.06551	4.8
85.18831	0.4
86.09689	0.3
92.20956	0.4
95.06097	0.5
99.78442	0.4
104.07094	0.5
112.08720	0.5
113.98811	0.3
119.34401	0.3
129.09114	100.0
136.08871	0.3
155.49928	0.3
157.12209	0.6
185.15347	0.5
185.71263	0.4
299.81641	0.4
330.19644	0.3
374.32715	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06858	0.5
57.07081	7.0
59.18737	0.5
61.59167	0.5
69.07083	0.6
69.29048	0.5
85.06564	4.9
89.46602	0.5
92.21570	0.6
129.09117	100.0
153.71620	0.6
242.13142	0.6
242.24832	1.1
374.25897	0.9
374.32797	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31039	3.5
64.34652	4.0
70.20081	4.2
84.08138	18.8
85.02882	7.9
87.53430	4.2
88.34932	4.1
97.02875	4.6
168.98985	5.0
187.04440	4.3
194.08176	4.9
219.01828	4.6
279.35162	4.6
375.06921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07640	1.8
66.67800	2.0
67.11943	2.0
81.70176	1.9
85.02918	3.1
112.89534	2.3
114.40363	2.2
127.03980	2.4
135.00815	2.1
138.25406	2.2
149.99486	2.2
275.06149	3.1
334.06796	3.5
352.07703	2.8
375.06894	100.0
375.11591	17.1
375.16901	3.0
380.02072	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
54.31915	1.4
55.01877	1.8
58.06597	9.3
58.12019	1.4
61.02949	1.6
69.03421	3.6
73.02911	32.8
74.01679	1.7
85.02908	29.8
85.40844	1.5
86.09714	2.9
97.02888	8.8
107.04974	7.5
109.02870	9.8
125.02374	1.6
126.03172	2.4
127.03899	3.0
133.03577	1.9
136.46750	1.7
137.05969	16.0
141.05461	38.4
145.04926	3.1
153.05370	2.5
161.06029	4.0
165.05377	3.5
167.03391	96.4
167.07024	3.7
195.06511	38.0
203.07152	5.4
213.07564	100.0
221.08041	3.1
241.10835	1.9
318.60376	1.9
375.12897	3.0
375.16489	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1281
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
53.03952	4.7
53.05830	0.7
54.27122	0.8
64.76658	0.7
69.03439	3.4
81.03424	8.5
82.84901	0.8
85.02904	5.9
92.23807	0.8
97.02914	4.1
99.04456	100.0
115.03925	11.3
117.05501	11.1
127.03930	3.2
145.04970	1.7
261.09781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31915	1.4
55.01877	1.8
58.06597	9.3
58.12019	1.4
61.02949	1.6
69.03421	3.6
73.02911	32.8
74.01679	1.7
85.02908	29.8
85.40844	1.5
86.09714	2.9
97.02888	8.8
107.04974	7.5
109.02870	9.8
125.02374	1.6
126.03172	2.4
127.03899	3.0
133.03577	1.9
136.46750	1.7
137.05969	16.0
141.05461	38.4
145.04926	3.1
153.05370	2.5
161.06029	4.0
165.05377	3.5
167.03391	96.4
167.07024	3.7
195.06511	38.0
203.07152	5.4
213.07564	100.0
221.08041	3.1
241.10835	1.9
318.60376	1.9
375.12897	3.0
375.16489	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04800	0.5
55.59599	0.4
59.93798	0.5
60.04584	0.5
63.66869	0.6
63.88832	0.6
95.32654	0.7
108.73529	0.7
137.05975	1.3
163.07596	0.9
167.07016	1.3
188.03416	1.0
188.07021	1.0
188.08748	0.7
246.59373	0.8
314.10449	0.8
317.09146	1.2
319.08328	0.6
330.09921	1.5
331.10770	19.4
343.10742	12.3
345.08685	26.3
359.10242	63.6
360.11026	23.5
375.13391	100.0
387.85266	0.8
388.44296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04800	0.5
55.59599	0.4
59.93798	0.5
60.04584	0.5
63.66869	0.6
63.88832	0.6
95.32654	0.7
108.73529	0.7
137.05975	1.3
163.07596	0.9
167.07016	1.3
188.03416	1.0
188.07021	1.0
188.08748	0.7
246.59373	0.8
314.10449	0.8
317.09146	1.2
319.08328	0.6
330.09921	1.5
331.10770	19.4
343.10742	12.3
345.08685	26.3
359.10242	63.6
360.11026	23.5
375.13391	100.0
387.85266	0.8
388.44296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1338
Annotation	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide
Peak:m/z	Relative Intensity
56.62244	0.7
56.83899	0.6
57.03029	0.6
58.41660	0.7
59.86315	0.6
62.24845	0.6
68.61792	0.7
74.72509	0.7
80.56019	0.7
82.80782	0.7
88.91315	0.7
131.01390	0.8
188.03418	0.9
188.07068	0.7
195.06508	1.1
207.49500	0.8
292.10687	0.7
311.81323	0.8
317.09149	3.0
330.10129	1.3
331.10757	22.5
343.10785	12.9
345.08694	26.3
357.69421	0.7
359.10263	66.1
360.11023	23.8
375.13419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	2.6
69.03422	3.7
70.02948	4.8
70.06603	6.0
72.08163	3.0
79.05489	7.2
80.05034	4.2
81.03415	16.1
84.04525	4.6
84.08143	3.6
85.02914	4.1
86.09706	4.8
87.05592	16.5
91.05478	5.1
96.04478	3.4
97.02883	13.1
99.04463	26.2
106.06551	18.6
108.04469	19.4
109.02876	18.5
109.06546	4.3
110.06041	13.5
113.03466	7.0
120.04489	4.0
122.06081	5.9
125.04744	15.7
126.05493	6.2
127.03951	11.8
129.10173	3.3
133.06073	11.7
134.06015	100.0
136.03955	11.7
136.07590	20.6
138.05519	15.9
147.07655	4.9
149.07143	11.3
150.05484	13.5
152.03384	3.3
152.07076	3.7
160.03888	3.9
162.05542	18.3
170.04427	4.5
173.51360	3.7
177.06584	65.9
178.05003	43.4
179.08147	58.8
180.06438	4.4
182.04521	12.0
188.96130	3.0
194.04532	10.6
195.07654	4.3
196.06152	3.6
206.04489	18.7
211.07086	13.9
213.12424	3.7
223.07138	36.8
224.05626	4.2
241.08124	15.3
250.22878	2.8
259.09155	14.8
339.11954	14.8
357.12909	95.3
375.13843	34.1
375.23047	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30222	0.8
56.17253	0.9
61.02912	1.4
69.03438	1.7
81.03451	1.5
85.02908	15.1
86.03235	5.9
86.09709	1.4
87.04488	1.1
97.02903	2.3
99.04442	4.1
102.37177	1.0
106.11457	1.0
109.02886	1.2
117.03342	1.4
118.03721	1.7
127.03863	1.9
128.65952	0.9
145.02850	20.6
145.04965	4.8
146.03180	24.4
146.05363	1.2
177.05464	68.9
178.05804	100.0
180.08775	1.6
181.08994	2.2
195.06534	28.4
196.06873	42.7
196.08611	1.9
236.53191	1.0
241.30826	0.9
243.66350	1.0
249.37590	0.9
252.20700	1.0
270.10788	1.8
271.28931	1.1
274.10315	1.0
301.25659	1.2
303.10556	1.5
315.07159	3.0
315.10590	11.0
342.08362	1.4
343.10004	1.1
357.10840	5.3
359.09448	1.9
375.12491	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30222	0.8
56.17253	0.9
61.02912	1.4
69.03438	1.7
81.03451	1.5
85.02908	15.1
86.03235	5.9
86.09709	1.4
87.04488	1.1
97.02903	2.3
99.04442	4.1
102.37177	1.0
106.11457	1.0
109.02886	1.2
117.03342	1.4
118.03721	1.7
127.03863	1.9
128.65952	0.9
145.02850	20.6
145.04965	4.8
146.03180	24.4
146.05363	1.2
177.05464	68.9
178.05804	100.0
180.08775	1.6
181.08994	2.2
195.06534	28.4
196.06873	42.7
196.08611	1.9
236.53191	1.0
241.30826	0.9
243.66350	1.0
249.37590	0.9
252.20700	1.0
270.10788	1.8
271.28931	1.1
274.10315	1.0
301.25659	1.2
303.10556	1.5
315.07159	3.0
315.10590	11.0
342.08362	1.4
343.10004	1.1
357.10840	5.3
359.09448	1.9
375.12491	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
58.06315	0.9
58.06606	27.7
59.06295	0.5
59.06937	5.5
70.33157	0.4
72.08144	0.9
73.02914	1.1
75.58873	0.4
84.04475	0.5
85.02889	1.0
86.09697	3.8
88.07638	0.6
95.88946	0.4
97.02914	0.7
107.04977	0.9
109.02802	0.5
133.02861	0.7
137.06020	4.1
137.06990	0.8
141.05455	1.8
145.43578	0.5
149.06003	0.5
154.55479	0.5
159.07744	0.5
161.05933	0.9
167.03380	2.2
167.06975	0.5
196.09625	1.1
201.12375	0.6
210.06302	0.8
213.07552	3.4
221.08122	0.6
243.11285	1.1
270.08450	1.2
282.06985	2.0
298.07776	0.7
300.08279	0.6
301.23602	0.4
302.11014	0.9
350.52155	0.6
360.14093	0.8
375.16278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72844	1.1
65.74960	1.2
66.69137	1.0
67.05494	5.9
69.03445	1.6
79.05477	1.5
81.07064	36.6
95.08612	2.3
98.50261	1.1
104.22478	1.1
109.06485	2.5
109.10169	2.8
123.11704	11.7
151.11154	16.9
152.29871	1.1
179.39342	1.1
181.08649	1.6
211.69757	1.2
364.22485	1.5
375.25052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80911	0.7
57.57965	0.7
71.47014	0.7
71.51772	0.7
78.61930	0.9
82.28769	0.8
98.29092	0.7
102.09151	1.0
113.07139	1.0
208.35501	0.9
231.28677	0.7
313.33038	6.8
313.47787	0.8
375.25046	100.0
375.36270	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00918	1.1
69.07002	1.3
71.10040	1.1
79.59914	1.3
93.24153	1.5
197.77451	1.3
223.38831	1.3
288.15424	1.5
375.25027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03127	4.5
55.01886	8.2
55.05511	33.6
57.03434	34.3
57.07077	5.0
67.05507	49.2
69.07066	11.4
79.05507	52.9
81.07051	68.7
83.04998	7.2
83.08607	11.3
85.06556	22.6
91.05491	55.5
93.07030	35.8
95.08607	35.1
96.14433	4.9
96.83762	5.0
97.10170	13.2
100.51262	5.7
105.07044	42.0
107.04934	10.1
107.08585	40.4
109.06509	37.7
109.10155	11.0
117.07004	43.9
119.08572	81.6
121.06497	9.7
121.10136	21.9
125.09639	12.4
129.07030	25.5
131.08540	61.2
133.10143	25.2
135.08089	19.7
135.11632	6.4
143.08549	31.4
145.05043	10.7
145.10114	52.9
147.08061	59.1
155.08542	8.5
157.10104	44.9
158.00404	5.9
159.08081	9.1
159.11665	10.0
161.09586	9.1
162.08667	5.0
163.11139	8.0
169.10175	8.2
171.11682	25.6
189.11313	8.3
201.12862	7.0
217.15836	6.9
237.14822	8.1
255.17545	7.6
256.26541	7.4
257.26578	9.4
273.18484	100.0
289.17996	6.5
291.19464	20.7
315.19199	7.8
339.23413	7.1
357.24173	27.7
375.25305	24.5
375.29666	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2528
Annotation	Folicanthine
Peak:m/z	Relative Intensity
53.03957	9.8
55.05512	4.3
55.76062	0.8
57.07063	0.7
67.05511	16.0
67.32288	0.8
69.07060	5.9
69.87785	0.7
71.04994	1.6
71.08657	0.9
79.05495	22.5
81.03417	16.2
81.07060	16.5
83.04974	0.9
83.08622	4.4
91.05473	16.7
93.07039	35.1
95.04965	1.7
95.08610	16.7
99.04455	100.0
105.07035	21.2
105.88252	1.1
107.08590	20.3
109.10146	6.0
117.06252	0.8
117.06994	6.2
119.08578	25.9
121.10137	18.3
125.33993	0.8
129.06993	3.4
131.08511	8.5
133.10129	24.8
135.11694	22.0
137.09578	1.1
142.42798	0.8
143.08554	4.3
145.10162	11.5
147.11687	25.3
149.09558	1.1
149.13263	10.0
151.11098	1.0
157.10130	4.5
159.11676	10.1
161.13234	16.1
163.11134	1.0
163.14798	1.5
171.11658	6.7
173.13284	4.8
175.14783	4.5
185.13237	7.8
199.14795	3.8
213.16344	1.4
231.21097	1.6
241.19472	9.0
259.20554	47.4
275.20020	1.3
277.21613	27.5
324.53210	1.0
334.15219	1.1
334.20535	1.0
357.24399	1.2
375.25296	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2526
Annotation	Folicanthine
Peak:m/z	Relative Intensity
52.99515	0.9
53.03961	10.8
55.05510	5.7
57.07085	1.6
67.05504	15.0
69.07067	5.0
72.57436	1.0
79.05493	20.1
81.03426	15.8
81.07063	20.0
83.08615	1.8
91.05486	19.8
93.07040	36.5
95.04956	1.3
95.08609	14.0
95.79145	1.1
96.94214	1.2
99.04459	100.0
105.07026	22.1
107.08600	22.0
109.10155	5.7
117.07007	5.5
119.08571	26.3
121.10149	18.8
129.07040	1.8
131.08591	8.2
133.10123	25.0
135.11687	19.6
143.08571	2.4
145.10141	8.4
147.11691	23.6
147.33536	1.2
149.09616	1.5
149.13261	10.7
157.10150	2.8
159.11668	9.5
161.13232	13.8
163.14777	1.6
171.11690	5.8
173.13246	4.6
175.14813	5.1
185.13277	6.8
195.13910	1.5
199.14731	2.0
241.19458	11.8
241.73105	1.2
249.49045	1.1
259.20587	42.4
277.21600	25.9
298.08652	1.1
375.25296	55.5
382.53387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	11.7
55.05517	3.7
56.01622	1.2
57.03437	1.7
65.28827	1.3
67.05517	17.8
67.06261	1.3
69.07058	3.7
79.05499	19.4
79.62979	1.3
81.03413	16.7
81.07059	20.8
81.97255	1.3
83.04977	1.7
83.08627	3.6
91.05492	14.1
93.07043	36.9
95.08611	13.7
99.04460	100.0
99.08123	1.8
104.03508	1.3
105.07024	22.3
107.08609	20.4
109.10161	6.9
117.07014	9.1
118.50523	1.5
119.08585	24.7
121.10129	17.8
125.73101	1.5
129.07004	2.8
131.08566	8.7
133.10121	25.1
135.11688	19.2
145.00772	1.6
145.10127	9.9
147.11679	27.1
148.24945	1.6
149.13274	13.7
157.10072	2.9
159.11658	10.2
161.13258	13.9
171.11673	5.5
173.13202	5.5
175.14809	2.5
185.13200	6.2
199.14745	3.4
213.16374	1.8
241.19504	9.1
259.20557	45.0
277.21616	25.7
277.56833	1.7
334.17621	5.6
351.18323	1.4
352.18884	12.5
370.19836	3.3
375.25256	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2638
Annotation	Mycaleoxime
Peak:m/z	Relative Intensity
51.32505	2.0
53.47339	2.3
55.05504	2.7
59.23619	2.2
60.54092	2.1
63.79053	2.3
67.05513	35.6
69.07065	12.7
73.73323	2.1
79.05488	15.0
80.07851	2.4
81.07059	58.1
81.07504	4.3
83.08634	2.5
83.58973	2.3
87.05588	17.3
91.05465	5.7
93.07043	32.0
95.08608	46.8
105.07053	6.3
107.08602	23.6
108.10455	2.3
109.10151	20.4
109.95059	2.3
115.05058	14.1
117.07018	5.1
119.08543	18.2
121.10143	28.0
123.11713	11.7
131.08557	11.7
133.10132	13.6
135.11667	19.2
137.13283	4.2
145.10135	19.7
147.11693	11.5
147.80814	2.5
149.13245	16.5
159.11720	4.5
161.13156	4.4
163.14746	5.0
173.13226	5.9
175.14743	2.7
187.14886	4.1
189.87125	2.5
243.21039	16.4
261.22122	48.8
375.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45015	1.3
51.51062	1.2
52.97152	1.3
55.05513	3.4
57.07069	8.9
58.07409	2.1
63.91502	1.4
67.05497	3.1
69.07068	1.7
79.05511	6.0
81.07064	11.1
85.06559	3.6
91.05472	8.9
91.37914	1.5
93.07036	17.4
95.04970	7.4
95.08599	11.1
101.36769	1.5
102.43794	1.6
105.07050	19.9
106.37242	1.7
107.08591	11.9
109.06487	1.7
109.10165	5.7
111.29726	1.8
119.08608	14.1
121.06480	2.3
121.10165	15.6
123.11686	1.8
127.76272	1.6
129.06992	2.1
129.09114	100.0
130.09451	46.7
131.08522	12.3
133.10144	12.4
135.11736	2.7
142.07750	2.2
143.08546	6.7
145.10091	11.6
147.11671	2.9
156.09363	1.6
157.10107	11.8
159.11700	3.5
161.09700	1.9
161.13190	1.8
169.10068	2.9
171.11639	3.6
175.14815	1.9
181.10077	2.1
183.11670	3.3
187.14728	1.9
197.13246	2.5
235.14697	1.9
375.26788	11.3
375.32980	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
57.07071	6.2
67.05531	1.9
69.07073	47.2
70.54527	1.3
74.53642	1.2
75.77770	1.4
79.40076	1.6
81.07048	2.7
83.08633	10.9
86.04843	1.6
86.09684	3.7
95.08602	2.8
100.61883	1.4
124.77267	1.6
155.08420	2.3
157.10104	15.6
157.12265	1.6
183.11670	1.9
195.11687	7.4
207.11688	2.1
209.13199	8.3
221.13255	5.2
223.14801	8.3
233.13216	1.7
234.14063	3.6
235.14803	13.0
249.16365	27.2
250.17175	15.6
251.18018	11.5
375.25479	8.5
375.30411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80966	0.5
55.05527	5.1
55.89481	0.5
56.04407	0.6
57.07082	5.6
62.95165	0.6
67.05488	0.8
67.50385	0.6
69.06699	1.4
69.07073	34.8
71.08650	0.8
76.51701	0.6
79.05504	0.9
81.07073	5.9
83.08610	7.3
84.07771	0.6
93.07092	0.8
95.08611	3.4
99.98880	0.6
107.08643	0.6
109.10165	3.1
123.11697	0.9
155.08578	0.9
157.10167	3.0
182.10913	0.8
183.11665	1.6
195.11697	3.8
197.13263	3.1
207.11774	3.5
209.13211	5.7
211.14833	1.5
221.13232	1.3
223.14880	5.4
225.16354	5.0
234.14005	2.6
235.14767	9.8
237.16405	1.4
249.16367	27.2
250.17178	15.6
251.17940	1.3
263.17874	1.1
325.48431	0.7
375.30490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16501	1.1
56.93348	1.0
60.42770	1.2
106.60540	1.4
117.59288	1.2
133.81271	1.3
135.18990	1.4
137.05923	1.9
148.13170	1.4
201.82088	1.3
346.10678	1.7
373.59760	1.3
376.07916	100.0
376.11389	3.9
376.15378	2.5
376.26248	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02085	0.9
58.06593	2.0
59.08142	0.9
61.49153	0.9
62.17714	0.8
67.15822	1.0
67.83688	1.0
69.03376	0.9
70.06599	3.1
72.08128	2.3
85.02880	1.8
86.09695	1.8
95.06027	1.3
99.04359	1.0
107.00650	1.0
127.03909	1.6
137.05951	2.2
141.85764	1.2
147.04350	5.5
148.07498	4.7
179.06949	6.1
181.35777	1.1
197.08160	1.0
204.10255	1.0
226.08459	3.9
227.09332	2.4
245.74962	1.2
257.06793	14.6
259.08170	1.5
267.70523	1.0
272.09088	14.4
298.07062	22.1
299.07739	4.1
300.08475	5.3
301.05698	2.2
303.07336	1.8
314.10287	2.3
316.08142	78.4
316.11850	2.5
330.09677	2.1
331.08060	2.0
332.11127	1.4
343.06830	2.4
358.09186	51.7
376.10037	100.0
376.13623	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81816	0.9
105.55572	1.3
107.46665	0.9
159.53456	1.4
167.10695	2.3
213.11316	1.3
250.89536	1.0
290.07690	1.0
302.43314	1.0
304.09650	1.8
305.10458	10.9
307.41928	1.0
308.20120	0.9
315.08951	1.4
318.07483	11.9
318.09921	0.8
329.18695	0.9
332.09143	38.0
332.12851	2.0
333.06259	1.3
333.09937	21.3
344.09158	4.1
346.06946	13.2
348.08911	1.5
348.15860	2.1
360.08636	57.0
361.09424	26.3
376.11633	88.7
376.15515	100.0
398.31857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
79.83511	0.6
111.28929	0.6
177.29556	0.5
186.08989	0.6
275.09351	0.7
281.06769	0.5
287.09448	4.5
290.11755	2.5
302.08090	0.9
303.08975	4.2
315.08789	2.6
316.09647	1.3
317.10480	2.7
318.07608	12.6
318.11273	3.7
330.07578	2.9
331.08478	1.1
332.09149	7.9
343.08304	11.4
344.09204	1.4
345.09937	15.7
346.07013	12.2
346.10770	20.0
360.08563	2.4
360.12460	0.8
361.09442	41.0
376.08121	5.9
376.11774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25591	0.8
57.24934	0.8
58.06615	10.7
69.03435	1.5
70.06602	1.4
85.02916	16.2
97.02867	2.2
98.09705	1.2
115.51035	1.2
127.03922	6.2
137.05998	34.0
145.05003	1.8
179.07034	13.9
180.08569	1.6
197.08072	4.0
214.10692	1.4
240.10196	5.4
241.07249	1.2
241.10945	7.3
254.08121	2.0
256.09683	32.8
257.10403	8.2
268.09586	8.3
270.11130	4.7
272.12805	14.7
273.09955	1.2
285.09927	36.7
300.12299	100.0
316.08047	1.5
330.09555	1.1
344.11288	29.5
353.23254	1.1
358.12753	1.4
364.21133	1.0
376.13885	48.1
376.18314	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
58.06606	14.5
59.78584	0.5
60.54295	0.6
60.73819	0.7
68.99783	0.5
70.06583	0.7
76.65871	0.5
81.03420	2.9
81.07035	0.6
84.77636	0.6
91.05511	1.0
97.44484	0.6
97.83759	0.5
107.05019	1.0
121.06515	1.5
136.06192	19.1
137.02350	14.5
137.05980	0.7
147.04449	0.8
159.04433	1.0
162.07745	1.4
177.05446	3.1
179.07101	0.8
195.04654	0.6
195.06442	0.7
197.06004	2.7
211.03920	5.0
214.06276	0.7
215.07031	13.8
222.11298	4.9
223.03830	1.0
225.05537	1.2
226.06325	1.2
227.06981	1.2
228.04143	0.7
229.05000	0.9
239.09479	0.6
241.08615	1.5
243.06511	55.4
253.04865	0.9
254.05708	0.7
255.06364	1.0
269.08096	7.0
269.10638	1.1
270.05237	1.1
271.05997	18.0
272.06839	1.0
281.04456	9.3
285.07584	12.9
287.09106	5.8
297.07553	11.9
299.05530	1.1
313.07083	4.1
315.08771	5.1
331.03696	2.4
331.08130	3.9
358.08261	1.1
376.09686	2.8
376.13910	64.2
376.19751	100.0
378.64172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.139
Annotation	Tiagabine
Peak:m/z	Relative Intensity
55.01863	2.2
55.65698	1.8
58.06603	14.8
61.51630	2.2
70.06586	3.5
85.02918	4.9
86.09735	2.4
87.04496	2.9
88.64533	3.1
97.02861	2.7
114.70567	2.6
130.08632	6.0
137.05991	13.6
143.04929	13.9
147.04446	4.4
148.50455	3.0
149.06027	3.9
150.09172	2.7
153.01842	11.5
161.05974	19.9
164.07040	26.6
167.07031	19.7
235.07535	20.5
254.08107	4.2
255.08893	16.2
262.06265	9.7
262.08810	3.4
263.06989	22.2
266.05664	3.2
270.08533	4.9
270.11240	79.7
270.14197	3.0
280.07098	3.5
280.09811	3.6
281.08127	16.4
297.09964	3.1
300.09036	5.8
307.08411	5.4
308.06622	19.5
309.07385	3.9
313.10623	13.1
315.12158	4.9
316.08209	5.2
316.11920	14.0
323.09207	29.2
325.09265	3.1
331.08127	6.1
332.14966	5.0
340.11713	13.9
341.10208	38.6
344.11240	10.3
358.08817	4.4
358.12845	69.0
376.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.65698	1.8
58.06603	14.8
61.51630	2.2
70.06586	3.5
85.02918	4.9
86.09735	2.4
87.04496	2.9
88.64533	3.1
97.02861	2.7
114.70567	2.6
130.08632	6.0
137.05991	13.6
143.04929	13.9
147.04446	4.4
148.50455	3.0
149.06027	3.9
150.09172	2.7
153.01842	11.5
161.05974	19.9
164.07040	26.6
167.07031	19.7
235.07535	20.5
254.08107	4.2
255.08893	16.2
262.06265	9.7
262.08810	3.4
263.06989	22.2
266.05664	3.2
270.08533	4.9
270.11240	79.7
270.14197	3.0
280.07098	3.5
280.09811	3.6
281.08127	16.4
297.09964	3.1
300.09036	5.8
307.08411	5.4
308.06622	19.5
309.07385	3.9
313.10623	13.1
315.12158	4.9
316.08209	5.2
316.11920	14.0
323.09207	29.2
325.09265	3.1
331.08127	6.1
332.14966	5.0
340.11713	13.9
341.10208	38.6
344.11240	10.3
358.08817	4.4
358.12845	69.0
376.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
58.06606	14.5
59.78584	0.5
60.54295	0.6
60.73819	0.7
68.99783	0.5
70.06583	0.7
76.65871	0.5
81.03420	2.9
81.07035	0.6
84.77636	0.6
91.05511	1.0
97.44484	0.6
97.83759	0.5
107.05019	1.0
121.06515	1.5
136.06192	19.1
137.02350	14.5
137.05980	0.7
147.04449	0.8
159.04433	1.0
162.07745	1.4
177.05446	3.1
179.07101	0.8
195.04654	0.6
195.06442	0.7
197.06004	2.7
211.03920	5.0
214.06276	0.7
215.07031	13.8
222.11298	4.9
223.03830	1.0
225.05537	1.2
226.06325	1.2
227.06981	1.2
228.04143	0.7
229.05000	0.9
239.09479	0.6
241.08615	1.5
243.06511	55.4
253.04865	0.9
254.05708	0.7
255.06364	1.0
269.08096	7.0
269.10638	1.1
270.05237	1.1
271.05997	18.0
272.06839	1.0
281.04456	9.3
285.07584	12.9
287.09106	5.8
297.07553	11.9
299.05530	1.1
313.07083	4.1
315.08771	5.1
331.03696	2.4
331.08130	3.9
358.08261	1.1
376.09686	2.8
376.13910	64.2
376.19751	100.0
378.64172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58503	0.4
58.06610	26.0
105.85126	0.6
118.39389	0.5
146.08080	1.2
164.06972	0.6
176.85274	0.5
181.06357	0.8
187.72659	0.5
197.08229	0.5
197.11739	0.9
209.06027	3.5
216.57077	0.7
227.06993	1.3
228.04263	0.7
229.05016	7.6
237.05397	0.9
239.73666	0.6
243.06538	0.6
253.04968	9.8
253.08690	1.0
255.06512	100.0
257.04471	2.3
271.05997	11.2
281.04654	3.7
285.07614	0.9
297.07538	0.7
299.05441	1.0
300.06265	8.9
313.07001	0.7
313.53937	0.5
315.08624	49.1
328.49643	0.6
331.08075	12.5
376.13904	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21440	0.5
58.06607	1.6
60.67969	0.5
63.04599	0.6
67.21615	0.6
70.06595	1.5
72.08155	0.9
74.02447	1.5
84.04499	0.8
84.08154	0.8
85.02894	0.8
86.09711	2.8
88.03989	9.7
98.02430	0.5
98.20760	0.6
99.04473	1.0
100.07594	0.9
102.05530	1.2
116.07062	1.1
121.06519	0.6
127.03957	1.0
131.08536	1.1
132.10152	0.7
137.05975	4.3
138.06352	1.2
143.08522	1.1
147.04401	0.8
149.01608	0.6
151.07530	4.3
159.08054	3.3
161.05893	1.4
163.07521	5.6
165.09120	6.4
171.08023	2.9
175.05945	0.8
175.07530	5.8
177.09099	100.0
181.06033	1.2
191.10670	2.7
193.08617	1.3
195.10167	2.5
203.10634	1.5
207.04723	1.5
209.06267	0.7
209.11699	8.8
214.10768	0.9
217.08284	2.3
221.06255	0.9
221.11772	3.7
222.12444	1.4
224.05560	0.6
235.07858	2.5
245.07675	2.6
253.08958	5.3
271.09958	11.1
299.12576	0.7
313.06003	0.7
358.13248	1.4
376.13934	14.3
399.29980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.3
57.27156	0.3
58.54496	0.3
68.90043	0.4
92.21027	0.5
113.85778	0.3
128.16432	0.3
131.99774	0.3
137.06010	1.7
161.24348	0.4
161.78331	0.3
179.07027	0.8
188.21884	0.4
304.09589	0.8
305.10660	1.4
307.08820	0.4
318.07596	8.7
319.08371	0.4
332.09097	6.5
333.09964	10.8
335.20633	0.5
344.09561	0.4
346.07150	1.9
346.14609	0.4
348.16052	1.9
360.08578	5.1
361.09576	2.2
376.11765	7.7
376.15509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53669	0.2
77.76813	0.3
121.10117	0.4
145.21046	0.3
159.06444	0.2
167.10689	3.3
177.59631	0.3
185.80106	0.2
195.10106	0.8
199.30737	0.3
213.11230	1.6
290.08176	0.3
304.09845	1.2
305.10358	1.2
307.08292	0.5
318.07565	8.6
318.11145	0.5
332.09155	6.1
333.09921	8.6
334.79678	0.3
346.07138	0.9
348.16003	2.0
358.20300	0.4
360.08591	2.5
361.09613	0.6
376.11899	5.2
376.15448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1542
Annotation	ABT-869
Peak:m/z	Relative Intensity
51.13484	0.2
53.53019	0.2
59.47813	0.2
65.28378	0.3
66.43009	0.3
98.86328	0.2
115.60604	0.2
144.58466	0.3
290.08182	0.3
304.09756	0.4
305.10635	0.5
318.07614	7.8
332.09091	3.5
333.09940	9.4
348.15927	1.5
374.13892	0.4
376.15439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1545
Annotation	Dioncolactone A
Peak:m/z	Relative Intensity
74.43771	0.8
77.72063	0.8
86.06056	2.1
135.72792	1.0
145.11308	0.9
161.67191	0.9
180.61938	1.1
316.09720	1.9
317.10443	3.8
318.11270	1.8
331.12006	2.0
332.12808	27.8
344.12857	4.5
345.09909	2.1
346.10739	20.3
353.21741	1.6
360.12296	62.0
361.08853	1.8
361.13095	34.4
376.15469	100.0
376.20480	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03495	0.4
79.57000	0.4
86.06056	3.9
86.45090	0.4
91.48051	0.5
103.00900	0.4
104.07116	0.5
109.10184	0.4
111.97600	0.5
116.22424	0.5
136.73253	0.4
195.43851	0.5
210.38504	0.4
286.69513	0.5
302.08038	0.5
315.12378	0.8
316.09753	2.7
317.10535	4.0
318.11139	3.7
331.12222	1.8
332.12793	29.3
344.09219	0.7
344.12741	4.7
345.09891	2.4
346.10693	16.1
360.12283	64.3
361.09415	0.9
361.13062	31.9
376.15433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
74.43771	0.8
77.72063	0.8
86.06056	2.1
135.72792	1.0
145.11308	0.9
161.67191	0.9
180.61938	1.1
316.09720	1.9
317.10443	3.8
318.11270	1.8
331.12006	2.0
332.12808	27.8
344.12857	4.5
345.09909	2.1
346.10739	20.3
353.21741	1.6
360.12296	62.0
361.08853	1.8
361.13095	34.4
376.15469	100.0
376.20480	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
56.30359	0.5
57.03439	1.1
58.06594	3.9
61.02923	3.2
62.23114	0.6
69.03420	3.2
73.02929	0.7
81.03415	1.4
82.98863	0.6
85.02432	1.1
85.02916	23.6
91.03936	1.0
91.05492	1.5
91.38758	0.5
97.02911	5.9
101.49525	0.6
106.89340	0.7
109.02892	1.1
113.60337	0.7
119.04930	7.2
127.03920	6.1
137.05986	100.0
145.04987	4.9
147.04433	3.8
151.07602	4.7
151.27573	0.8
161.05959	2.6
162.06720	0.9
163.05983	0.7
175.07460	0.9
176.03903	0.6
179.07028	33.4
180.08691	3.0
185.05917	0.6
197.08078	9.0
200.24043	0.7
205.08585	1.1
214.10815	0.8
228.94635	0.6
296.05429	0.8
309.11188	0.8
341.14072	0.7
376.17133	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.2
57.44449	1.9
58.06606	18.7
68.05000	3.0
70.06590	41.5
81.03398	11.6
84.08113	2.5
85.02901	4.7
92.80273	2.6
97.02882	12.7
98.07164	4.3
99.04459	45.6
100.07626	9.4
108.04456	4.1
109.02866	2.7
110.06028	13.8
111.04440	18.8
112.07610	9.8
114.05524	18.0
116.07070	22.9
123.04451	2.5
126.05479	4.6
128.07072	34.2
136.07478	3.0
138.05508	3.6
142.08618	9.1
144.10168	2.5
156.06520	2.5
158.08081	4.7
162.09119	3.0
178.08620	39.8
180.00073	2.3
180.10204	10.2
194.08133	3.2
196.09756	17.0
206.08107	18.4
214.10619	22.1
224.09132	43.8
242.10248	14.6
254.48410	2.5
260.11356	20.5
294.13300	4.1
312.14240	17.5
330.15433	22.6
332.71802	2.7
340.13892	87.5
358.10718	4.2
358.14975	100.0
376.16422	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1712
Annotation	AM2201 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
51.25741	1.1
68.71692	1.3
72.04517	15.7
74.10863	1.0
92.21468	1.6
135.00967	1.1
137.07091	2.0
165.06453	1.3
172.78256	1.1
196.10838	2.3
201.06281	1.3
209.09161	1.5
213.08720	4.4
214.09453	10.8
215.10284	1.3
227.10248	7.5
233.09261	1.6
257.13577	2.1
258.15466	1.7
269.11285	1.4
285.13229	4.6
286.13879	21.9
305.13397	8.0
376.09592	4.8
376.17114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	0.9
57.03423	1.0
58.06595	4.9
60.01548	1.0
61.02945	1.2
69.03429	2.9
70.16270	1.1
85.02905	31.3
98.06577	1.1
99.04501	1.4
119.08578	1.4
123.17754	1.2
127.03918	7.0
128.29146	1.4
132.86316	1.2
137.05977	100.0
145.04974	4.9
147.08038	13.6
163.03453	1.3
179.10646	19.2
180.08670	2.4
209.44017	1.3
214.14421	1.6
243.06601	1.3
291.80798	1.2
342.85367	1.3
376.13220	5.1
376.19730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	0.9
57.03423	1.0
58.06595	4.9
60.01548	1.0
61.02945	1.2
69.03429	2.9
70.16270	1.1
85.02905	31.3
98.06577	1.1
99.04501	1.4
119.08578	1.4
123.17754	1.2
127.03918	7.0
128.29146	1.4
132.86316	1.2
137.05977	100.0
145.04974	4.9
147.08038	13.6
163.03453	1.3
179.10646	19.2
180.08670	2.4
209.44017	1.3
214.14421	1.6
243.06601	1.3
291.80798	1.2
342.85367	1.3
376.13220	5.1
376.19730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54135	1.5
55.05510	1.2
56.96568	2.7
57.07072	1.8
58.06604	1.6
62.74927	1.5
67.41565	1.3
86.06065	2.7
86.32213	1.4
87.04464	17.8
88.07635	10.8
95.08514	1.4
97.10162	2.3
100.07628	1.9
101.65516	1.7
104.07099	2.5
116.98512	2.1
125.09601	2.5
140.98387	2.9
143.00084	2.0
154.99988	6.1
157.01535	6.2
163.00621	1.8
165.02107	2.1
169.01608	2.7
174.11261	3.7
174.99022	8.3
177.02109	2.9
179.03610	1.6
183.03059	1.7
185.01036	3.7
188.88026	2.1
189.00546	11.7
195.03152	2.5
196.12196	1.9
201.00459	2.4
203.02074	2.6
203.12762	7.3
204.12230	2.3
208.11818	1.6
229.64081	1.8
242.24765	21.4
286.37430	1.6
314.30682	2.7
317.17841	42.7
328.28555	9.7
335.15076	54.8
335.18903	100.0
353.19983	36.6
358.20920	2.3
376.30487	55.3
376.34473	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28914	2.0
58.71248	2.0
69.07069	2.6
88.11263	4.6
100.08450	2.3
121.24597	2.3
157.01625	2.6
165.12775	3.3
169.01605	2.7
174.99031	4.4
188.41100	2.3
189.00589	5.7
199.03104	2.5
203.02232	2.7
236.87726	2.3
317.17804	42.0
335.15100	33.7
335.18951	100.0
353.20010	34.1
358.20682	3.7
376.11981	3.6
376.32242	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57555	0.8
56.96574	2.0
71.08636	2.3
71.14465	1.1
81.07073	1.2
82.65247	1.0
88.11267	5.0
95.08578	1.5
96.53475	1.0
112.99081	1.0
116.28038	1.3
116.98498	2.0
125.81275	1.1
128.98587	1.1
131.00035	8.5
140.98453	6.3
143.00015	6.1
145.01588	2.2
151.60237	1.1
153.02080	4.7
153.99188	1.3
154.99980	9.4
156.30280	1.1
157.01614	7.0
163.00529	1.6
164.99513	1.2
165.02153	1.7
165.12747	1.8
165.59848	1.1
167.00023	6.5
167.03709	2.2
169.01601	14.2
170.99504	5.0
171.03145	5.4
174.99011	16.6
177.02089	5.2
179.00023	1.2
179.03662	8.1
181.01587	5.7
182.99503	2.2
183.03133	8.9
185.01106	6.7
189.00580	24.8
189.02200	2.0
191.01199	1.4
191.03708	7.6
193.05318	1.9
194.99568	1.4
195.03152	2.1
197.04704	2.0
199.02695	2.2
200.53366	1.1
201.00455	4.2
203.02147	4.6
207.03165	1.1
207.06842	1.1
209.01051	1.5
211.02702	2.4
213.00626	1.2
215.02071	5.1
223.02563	1.4
225.03989	1.5
229.03650	1.5
233.08247	1.8
235.02663	1.2
237.04179	1.4
251.05809	1.5
317.17892	34.6
333.17484	1.3
335.15094	100.0
335.18951	94.1
353.19998	38.6
358.20425	5.0
376.28091	2.7
376.32040	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	13.6
55.05316	6.2
55.05522	100.0
57.03445	75.6
58.04217	14.6
58.48747	5.9
59.05007	12.6
67.05514	94.5
69.03433	13.7
69.07069	53.5
69.08964	7.3
71.05004	9.9
75.04479	38.8
79.05486	76.9
81.03421	38.1
81.07067	81.8
83.04976	30.4
83.08633	65.0
85.02923	13.5
85.06546	10.9
91.05488	39.9
93.07044	44.3
94.54327	7.3
95.04993	56.2
95.08616	30.2
97.06522	32.5
97.10167	91.4
104.31274	7.8
105.07030	19.0
107.08590	42.8
109.06536	9.0
109.10152	33.2
111.70371	8.1
119.08576	34.3
121.06506	12.1
121.10165	11.9
125.09640	67.6
131.08580	9.6
133.10178	9.6
189.11197	33.7
193.12332	7.9
197.63991	8.7
204.10713	8.2
223.13293	37.6
232.83507	8.1
237.14944	11.0
265.08408	9.1
282.84866	8.4
348.70047	8.1
376.11490	87.3
376.15546	46.8
376.20279	10.9
376.23843	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98971	0.4
81.07061	0.4
87.04468	13.5
98.97225	0.4
121.06483	0.3
131.07376	0.3
158.09517	0.4
160.11223	0.8
244.20625	3.6
272.20068	50.9
290.21121	21.0
320.09186	1.6
358.23868	1.5
376.24820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2477
Annotation	Tuberostemonine C
Peak:m/z	Relative Intensity
50.15909	1.8
51.03687	1.8
67.05510	26.1
69.07065	3.1
70.02948	14.5
75.53848	2.2
79.05494	3.5
81.07058	36.7
87.04463	12.1
88.03987	100.0
91.05478	4.0
93.07043	10.0
94.60356	2.3
95.08592	22.5
107.08606	9.6
109.10157	14.5
115.40582	2.1
119.08533	5.6
121.10142	10.3
122.41877	2.1
123.11705	5.1
133.10126	4.6
135.11681	8.7
145.10120	4.6
149.13228	5.2
156.17491	2.4
159.11687	3.5
163.14851	2.2
173.13219	2.1
226.18845	2.1
243.21019	2.4
261.22018	2.7
304.26498	2.5
305.21039	2.7
313.21738	3.3
330.24222	4.3
335.16428	2.7
348.25247	9.8
358.23709	3.1
368.45935	2.5
376.24829	75.7
376.29803	5.9
391.64743	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.248
Annotation	Spiramine P
Peak:m/z	Relative Intensity
63.98971	0.4
81.07061	0.4
87.04468	13.5
98.97225	0.4
121.06483	0.3
131.07376	0.3
158.09517	0.4
160.11223	0.8
244.20625	3.6
272.20068	50.9
290.21121	21.0
320.09186	1.6
358.23868	1.5
376.24820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.284
Annotation	NAla
Peak:m/z	Relative Intensity
52.94355	1.2
57.69920	1.2
67.05492	2.5
70.06593	88.4
81.07080	4.7
83.08628	1.4
90.67731	1.2
91.33909	1.3
93.07043	5.6
95.08617	5.3
107.08585	1.7
109.10179	1.8
116.07092	100.0
120.04705	1.4
135.11705	1.9
147.09024	1.3
159.11827	1.3
165.86560	1.2
207.84505	1.3
209.12921	1.3
220.25493	1.7
246.60159	1.4
330.28085	2.2
335.15286	1.5
366.31448	1.4
376.28500	25.3
376.32925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2845
Annotation	NAla
Peak:m/z	Relative Intensity
52.92464	0.5
53.76272	0.6
55.05520	6.3
55.05733	0.7
57.07077	0.9
67.05496	4.7
67.27404	0.7
69.07053	1.0
72.08159	100.0
74.09688	1.2
79.05459	3.5
79.20027	0.9
81.07054	5.0
83.08609	1.4
85.06503	0.8
91.05473	4.1
91.42396	0.8
93.07046	7.3
95.08603	5.4
97.45091	1.0
105.07037	8.3
105.07613	0.8
107.08597	6.4
109.10139	1.8
117.71844	0.8
118.08652	62.9
119.08572	11.2
121.10115	4.9
131.08556	3.5
133.10129	9.2
135.11653	4.4
145.10080	3.9
147.11696	10.4
148.16365	0.8
149.13252	3.2
157.10103	1.6
159.11681	4.6
161.13264	8.7
163.14758	1.3
171.11684	3.3
173.13226	4.2
175.14857	7.3
185.13249	3.9
199.14803	1.3
217.19507	0.9
241.19493	5.3
259.20529	13.4
277.56485	0.8
317.16113	1.2
330.27811	3.8
335.17688	1.1
358.27542	1.7
376.28427	64.9
399.73624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52838	1.2
56.05026	2.6
57.07076	2.1
58.06583	1.4
60.04527	2.7
67.05495	1.8
68.05016	2.0
69.07096	1.9
70.06603	1.2
72.04516	57.3
74.06071	11.7
76.03996	10.8
79.05506	1.6
81.07083	4.6
83.08638	3.0
85.10165	1.2
86.06080	2.6
88.03976	17.1
90.05572	2.1
95.08582	2.8
97.10193	1.2
102.05553	2.6
104.72350	1.2
114.05511	5.7
118.05009	72.6
124.60475	1.3
132.06558	1.6
135.61751	1.3
163.76335	1.2
242.24695	1.5
276.26892	1.9
282.27859	8.3
291.87149	1.3
294.27914	1.5
310.27328	2.5
312.28897	2.0
322.27744	2.3
340.28448	6.0
358.29456	15.9
376.30563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54905	0.9
57.07081	3.0
67.05524	1.5
69.07068	2.0
71.08630	1.8
71.50066	1.1
77.91727	1.1
81.07063	2.8
83.08598	1.5
85.10190	1.6
93.07026	1.5
95.08614	2.4
98.36115	1.2
121.06507	100.0
138.09167	13.7
193.57954	1.1
210.41077	1.3
295.85837	1.4
314.33176	2.9
376.32016	42.2
376.36969	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3207
Annotation	7,10,13,16-Docosatetraenoylethanolamine
Peak:m/z	Relative Intensity
55.62200	1.0
69.07051	2.3
69.27688	1.0
71.08636	5.9
81.07047	1.2
83.65419	1.1
84.08150	2.3
86.09713	100.0
93.07034	1.2
96.58774	1.0
99.08116	1.8
112.07634	1.8
128.14122	1.1
154.12262	1.5
161.77203	1.2
165.12744	1.6
170.00270	1.2
268.55099	1.1
278.24844	6.3
291.23428	1.4
357.59982	1.2
376.32129	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53216	0.7
66.98463	0.7
69.03469	1.1
71.05006	1.3
71.56084	0.8
77.41370	0.8
78.06150	0.7
78.59875	0.7
79.69460	0.8
81.03399	1.6
85.02911	3.9
90.05114	1.0
97.02874	1.2
99.04456	29.3
109.02862	1.0
112.80993	0.8
117.05493	12.0
127.03884	1.1
145.04982	0.8
154.35635	0.8
163.03894	4.7
164.18727	0.8
177.09105	7.5
197.04173	3.1
215.05290	4.2
360.11612	1.9
376.36737	1.0
377.08395	100.0
377.13202	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19015	0.9
56.10851	1.0
57.17774	1.2
58.04501	0.9
60.25832	1.0
69.14916	1.0
85.02903	1.4
87.09770	1.0
91.83488	1.1
101.00890	7.7
107.46676	1.0
113.00881	1.2
119.01927	17.6
121.02861	8.1
131.01920	7.7
143.00905	1.5
143.01926	8.4
146.57741	1.1
153.03981	2.8
155.01834	9.8
161.02959	6.4
167.02943	5.7
169.03419	1.1
171.04987	6.5
173.02928	10.7
179.02942	1.8
183.04999	1.9
191.03986	1.8
193.03445	5.2
195.05013	18.3
197.02858	7.9
200.04242	1.3
203.01927	14.5
203.03729	1.7
207.04927	3.5
211.04501	7.2
213.06009	1.5
215.02025	1.7
215.04074	5.1
221.02954	33.2
221.05029	2.9
229.05603	2.1
233.02962	4.4
239.03993	43.3
245.13251	1.1
251.03961	2.2
257.05035	57.1
269.04971	9.5
275.06107	100.0
281.07205	2.3
287.06058	17.9
305.07202	7.7
317.07092	23.6
347.08176	14.4
377.09555	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1443
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03960	2.7
53.96292	0.4
58.14795	0.4
68.61834	0.4
69.03421	1.8
71.04993	1.1
76.84030	0.4
81.03426	9.3
85.02893	5.2
97.02906	3.7
99.04457	100.0
109.02891	2.2
111.35946	0.5
117.05494	16.2
124.71148	0.4
127.03900	3.4
141.75334	0.5
145.04979	2.0
167.07002	0.5
212.67932	0.5
243.08681	0.9
244.11272	0.5
261.09683	4.5
379.37628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
53.07478	0.4
55.05494	0.5
69.03423	3.9
70.70898	0.4
71.04988	1.9
73.05254	0.5
76.91796	0.5
81.03426	9.2
82.90610	0.5
85.02910	5.4
97.02888	5.3
99.04458	100.0
109.02875	1.2
117.05492	22.1
127.03883	3.3
137.68460	0.5
145.04968	1.0
243.08675	1.9
249.49097	0.5
261.09680	4.3
261.12213	0.5
261.15353	0.5
273.16135	0.6
301.12579	1.0
335.41409	0.5
345.11688	0.9
369.03186	0.6
377.14288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02957	0.8
53.03960	3.9
55.26170	0.8
57.03439	1.0
61.02931	1.0
69.03094	0.9
69.03431	5.3
71.04997	2.2
76.12904	0.9
81.03440	11.3
85.02911	11.2
97.02882	6.3
99.04458	100.0
109.02871	1.9
117.05496	26.8
127.03938	4.0
137.05984	8.7
138.06323	3.7
145.04977	3.6
179.07043	1.2
180.07442	1.7
208.09694	1.5
215.08478	0.9
243.08493	1.2
261.09705	4.6
286.10336	1.5
289.14703	0.9
301.12555	5.1
377.08386	7.9
377.13507	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1442
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03954	4.2
55.01867	0.6
55.93596	0.4
57.72591	0.5
61.02938	0.7
69.03428	3.3
70.06618	0.5
71.04992	5.2
76.90759	0.5
81.03423	9.8
85.02911	15.3
87.04464	0.8
97.02880	4.4
99.04456	100.0
109.02871	3.1
117.05489	60.2
127.03934	5.4
131.01617	2.2
132.00807	0.5
145.04980	5.3
165.88704	0.6
169.07542	0.7
177.09131	2.7
188.07101	0.6
211.61761	0.6
215.08109	1.1
243.08592	2.2
260.05859	0.6
261.09668	2.1
269.38275	0.5
270.99548	0.6
279.10733	1.0
338.57147	0.6
359.13242	2.7
377.08508	6.4
377.13669	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39913	3.4
53.75933	3.3
54.89536	2.9
57.03432	4.3
67.18774	3.2
69.03413	7.8
70.43528	3.5
81.03438	15.2
84.92018	3.1
85.02897	42.7
97.02892	5.8
99.04450	100.0
109.02879	8.3
113.02359	49.4
117.75987	4.1
126.26224	3.6
127.03916	15.2
131.03282	3.6
137.05949	5.0
141.05458	4.1
142.52777	4.0
145.04945	14.7
151.21509	3.8
163.07515	3.9
167.07005	4.4
243.08716	4.9
331.69998	3.7
334.10593	8.2
377.14023	13.8
377.18658	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31680	0.9
53.03946	1.2
55.39163	0.8
57.03453	6.6
57.46285	0.7
59.53070	0.7
61.02920	3.7
69.03433	13.7
71.01346	1.5
71.04994	4.2
73.02922	3.2
75.04459	2.0
81.03432	2.0
87.04539	0.8
94.51070	1.0
99.04463	7.1
172.08699	14.7
176.38939	1.1
200.08211	5.4
216.07661	10.9
243.08751	88.6
244.07262	1.1
317.52109	0.9
334.69418	1.0
359.13409	1.2
377.14539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28004	1.0
52.16501	1.2
53.03948	2.5
53.12601	1.2
62.38310	1.5
62.43077	1.3
63.26310	1.6
69.03416	1.5
71.04964	1.6
73.02927	2.2
74.39109	1.6
79.64848	1.4
81.03429	7.6
85.02905	14.1
85.57183	1.3
97.02844	2.0
99.04454	100.0
108.42590	1.6
109.02909	3.8
114.29386	1.9
117.05520	3.8
121.06577	1.7
127.03900	3.4
137.06013	2.2
141.05475	8.4
142.08635	2.8
167.07040	3.0
197.08090	2.9
204.29089	1.6
207.06465	2.4
239.08862	2.4
243.08728	7.3
260.33810	1.7
267.89008	1.8
323.11160	7.3
377.13599	1.8
377.17734	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1591
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
54.42408	1.7
55.01884	2.4
55.27699	1.7
55.47781	1.6
56.92570	2.0
63.59872	1.8
73.15063	1.8
79.05515	4.7
91.05504	3.8
95.04959	3.4
98.47989	2.2
103.05470	13.2
105.07061	2.4
107.04955	49.6
115.05470	2.8
121.06468	3.5
123.04444	3.2
125.06016	3.1
131.04961	7.8
135.04446	10.7
135.08029	18.5
137.05965	24.1
146.03543	2.7
147.04428	3.6
149.06021	14.3
151.03908	72.5
151.05092	4.2
151.07610	2.1
153.05487	10.2
161.05945	16.5
161.09618	2.9
163.04015	2.0
163.06190	3.7
163.07553	100.0
165.05469	2.5
167.07063	4.9
177.05469	4.5
178.06262	30.5
179.07112	3.7
179.10005	2.1
181.08595	48.3
181.10049	2.9
182.09441	3.7
189.05539	3.0
189.09171	4.2
195.06519	13.0
196.07321	11.0
203.07193	2.0
207.10204	9.4
283.09741	2.6
283.13290	3.2
327.12122	3.3
329.13892	4.2
336.12152	2.7
356.71106	2.5
359.14929	2.0
377.15314	4.6
390.29330	2.4
391.06659	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.0
67.05508	22.0
69.07060	9.4
71.04991	44.0
79.05500	23.8
81.07066	60.8
83.04993	5.4
83.08643	5.6
85.06538	9.2
91.05465	9.2
93.07043	27.4
95.04983	4.5
95.08598	20.3
95.68310	5.0
97.06564	5.2
105.07017	35.2
107.04933	5.0
107.08595	25.7
109.06509	10.0
109.67365	4.7
111.08081	7.1
113.05987	6.1
115.31189	4.7
119.08594	19.4
121.06488	9.8
123.08084	25.5
129.06969	6.6
131.04944	4.5
131.08566	44.9
132.87358	4.5
133.10123	10.9
135.08034	19.0
143.08542	18.6
145.10130	11.5
147.08000	5.9
147.11679	7.2
149.09637	6.2
155.08585	19.6
157.10117	96.0
159.08102	20.0
163.11107	6.2
167.08505	5.7
169.10110	8.7
171.11702	19.6
173.09631	37.5
179.82011	4.7
181.10139	9.7
182.37950	5.0
183.07646	4.5
183.11818	6.6
185.09492	6.5
187.11198	6.5
197.13249	8.2
199.11166	20.6
209.13316	9.2
217.12172	20.2
239.14366	5.7
255.13908	6.2
267.17377	4.9
269.15225	4.9
270.16107	6.8
293.18973	100.0
295.16962	7.5
309.18515	7.5
327.19577	25.5
334.10855	5.2
347.11041	37.7
377.15616	30.2
377.23227	30.8
384.34332	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48666	4.6
55.05516	6.9
63.16432	4.7
65.48309	4.7
67.05495	10.3
71.05005	41.6
71.61598	4.0
79.05489	21.4
81.07069	70.1
81.82585	4.9
83.04967	5.6
85.06544	12.2
91.05488	21.9
93.07034	34.9
95.04966	9.2
95.08616	11.2
97.06512	6.7
105.07058	38.6
107.08591	30.4
109.06509	17.7
109.10169	7.8
111.08036	8.8
117.07001	6.9
119.08627	6.1
121.06471	6.3
121.10150	7.9
127.44435	5.1
129.07019	5.0
131.08571	35.4
133.10124	25.9
135.08044	26.4
135.11772	5.4
141.07108	5.9
142.07712	7.4
143.08604	9.5
145.06477	4.8
145.10109	36.8
146.01039	4.5
147.08043	7.1
149.01715	5.2
149.09578	6.4
155.08574	8.9
157.10107	100.0
159.08075	12.1
159.11772	7.7
161.09595	8.6
169.10089	7.7
171.11668	7.7
173.09610	41.0
175.07559	6.1
175.11194	8.2
181.10130	11.3
183.11586	6.3
185.09700	6.9
185.63434	5.4
197.13231	5.8
199.11241	7.9
217.12218	23.4
223.14758	7.8
267.17343	6.7
270.16232	7.9
293.18967	88.1
309.18579	7.3
313.07339	28.0
315.19379	5.2
327.19437	20.7
347.11163	25.5
359.21997	6.8
377.11844	18.6
377.15750	6.7
377.19165	15.4
377.23123	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16061	1.9
53.03974	2.5
55.05521	2.2
57.06168	1.9
57.07095	3.7
60.13037	2.1
67.05518	30.1
67.34172	2.1
69.07078	10.1
70.06577	2.5
71.08604	2.2
72.08151	2.1
79.05493	10.0
81.03437	3.0
81.07072	35.0
83.08630	3.8
91.05450	9.8
93.07043	23.0
94.61126	2.1
95.08623	31.8
99.04463	47.3
99.05566	4.6
105.07035	4.8
107.08609	24.4
109.10172	20.1
111.08086	2.4
121.06512	100.0
121.07352	4.3
121.10112	17.9
122.06827	39.4
123.11733	10.0
131.08582	9.8
133.10127	9.4
135.11705	15.3
137.13258	2.9
138.09143	13.6
139.09480	3.5
145.10144	12.4
147.11658	3.9
149.13249	4.4
158.27448	2.7
159.11711	5.0
163.14862	4.7
173.13272	5.5
243.21107	5.1
261.22153	45.3
279.23151	16.1
302.16101	2.4
310.32306	2.7
377.27359	36.5
377.32092	82.2
378.17062	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
52.30838	1.2
53.00317	1.2
53.08972	0.9
55.05519	5.1
57.03442	1.5
57.07088	2.0
67.05511	15.4
67.36797	1.2
69.07071	20.4
71.04987	1.6
79.05495	8.1
81.07063	23.5
83.04991	1.8
83.08630	6.9
85.06574	1.7
91.05458	1.8
93.07037	15.7
95.08616	16.8
97.06549	12.3
97.10166	1.6
107.08597	14.6
109.06514	2.0
109.10150	7.3
111.08111	1.9
111.11700	2.3
115.08698	2.0
115.74187	1.2
119.08546	1.6
121.10121	5.9
123.45465	1.2
124.57414	1.2
126.67783	1.5
135.08165	2.1
135.09180	8.3
135.11691	33.4
145.10112	1.7
147.11713	2.4
149.06010	2.2
149.13289	1.2
153.12727	9.7
155.13893	1.3
163.11176	3.0
165.12735	5.7
175.15015	1.2
177.12766	5.7
191.10675	100.0
193.46336	1.3
193.48587	1.1
203.14363	8.9
218.29324	1.3
219.13795	2.9
231.15875	40.3
247.68585	1.2
265.83829	1.3
278.59457	1.2
296.86499	1.3
298.64005	1.2
317.24695	10.0
336.32712	2.4
341.29385	1.4
345.24237	36.0
359.30533	12.7
377.26831	63.0
377.31726	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05519	4.0
57.07081	2.7
58.06552	1.5
62.30893	1.5
64.01196	1.5
67.05509	25.5
69.07076	28.3
71.04991	3.3
71.08610	3.5
76.31557	1.6
79.05499	11.9
81.07063	28.9
83.08624	10.6
85.06546	3.1
87.05579	7.3
88.19134	1.8
90.05547	1.8
91.05493	3.0
93.07046	23.8
95.08607	25.0
97.06535	15.0
97.10187	4.1
98.29466	1.7
99.45863	2.1
100.48830	2.0
100.56302	1.7
105.07032	7.3
107.08603	19.2
109.10136	17.2
111.08089	3.0
115.05029	4.2
115.08666	3.5
119.08576	4.3
121.10143	12.0
123.11713	2.5
126.32400	1.9
131.08553	3.0
133.10107	2.4
135.11690	28.9
145.07713	1.9
145.10139	4.2
153.12729	9.9
165.12740	4.1
168.99522	1.9
177.12686	4.5
177.16318	2.2
183.33820	1.8
191.10669	100.0
203.14294	10.4
206.13156	2.1
231.15875	34.1
245.22649	6.8
263.23666	7.4
317.24753	9.7
336.32529	3.0
345.24182	36.8
349.44809	1.9
377.26892	69.0
377.31326	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11292	1.1
53.03950	7.1
55.05513	8.0
55.18896	1.3
55.25077	1.2
55.90818	1.3
57.07067	1.9
57.41820	1.2
67.05510	33.6
69.07055	6.5
69.91917	1.4
71.04987	2.4
71.08628	3.6
76.91520	1.3
79.05509	17.4
81.03420	11.3
81.07062	39.6
83.08617	6.9
85.06544	1.6
91.05484	6.1
93.07043	28.7
95.08610	41.3
97.06533	1.8
97.10170	2.8
99.04456	100.0
99.08064	1.9
105.07040	8.9
107.08599	23.9
108.02117	1.6
109.10190	15.7
114.81347	1.4
117.06993	3.2
119.08568	6.5
121.10149	20.8
123.11710	7.2
131.08569	10.1
133.10168	6.8
135.11699	15.0
137.13272	6.4
145.10138	10.0
147.11671	3.5
149.09622	2.5
149.13255	11.3
159.11685	6.1
161.13246	7.5
163.14824	7.9
173.13324	7.8
175.14815	2.0
177.16321	2.4
179.14310	1.5
187.14787	3.3
200.91800	1.6
205.15887	1.9
219.17444	3.1
233.22710	2.0
243.20999	17.3
261.22125	44.3
268.64316	1.6
275.19925	1.9
279.23163	22.1
377.26825	9.0
377.31158	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.05501	4.2
59.10271	3.4
61.89383	3.3
67.05515	26.2
68.35910	3.3
69.07048	4.1
71.26672	3.1
79.05506	14.2
81.03425	18.3
81.07062	48.6
83.08650	4.3
83.20369	3.3
90.89307	3.2
91.05470	3.7
93.07046	22.3
95.08596	31.8
95.29370	3.1
99.04459	100.0
99.29741	3.3
105.07047	6.5
105.72942	4.1
107.08598	19.2
109.10191	13.4
119.08575	5.2
121.10136	20.7
123.11678	7.6
131.08569	18.8
133.10095	4.5
134.85179	3.7
135.11653	5.8
144.94971	3.9
147.11690	6.5
149.13205	7.1
163.14883	4.8
173.13150	4.3
219.17436	14.5
243.21075	8.7
259.45898	4.1
261.22168	40.5
279.23044	29.2
359.25757	4.2
377.26807	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.01886	1.2
55.05514	5.0
57.03421	2.1
57.06866	1.0
57.07088	17.7
59.25377	1.1
61.38778	1.0
62.02049	1.2
65.16882	1.2
67.05521	10.8
69.07074	22.9
71.04990	2.3
78.09660	1.2
79.05483	6.8
81.07061	16.9
83.04974	2.2
83.08627	2.9
85.06533	13.8
93.07025	16.0
95.04974	1.9
95.08605	15.6
97.06529	11.3
97.10157	2.0
97.20718	1.3
98.92342	1.4
105.07012	2.1
107.08585	13.5
109.06522	7.4
109.10160	5.4
110.25522	1.4
111.08063	1.7
119.08566	2.3
121.10140	6.3
125.08209	5.4
133.10124	2.1
135.08052	2.8
135.11700	32.9
137.05914	1.6
139.04237	6.3
145.10150	3.2
149.05954	12.3
150.06303	7.5
151.07536	6.7
152.07956	1.3
153.12741	8.5
163.07553	7.0
163.11179	2.1
165.12764	3.1
177.09148	2.6
177.12730	5.5
177.68480	1.6
191.10657	100.0
193.12308	1.3
195.60910	1.4
203.14325	5.8
219.13867	2.8
231.15915	32.8
261.18497	74.3
277.22424	1.3
283.26526	1.5
317.24637	3.2
345.24249	44.1
377.10986	1.6
377.26855	69.8
377.32132	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07901	1.2
55.05509	6.0
56.05039	2.1
58.06568	1.3
59.06100	1.2
65.03934	1.3
67.05502	8.7
69.07067	7.3
70.06583	3.5
79.05496	7.1
81.07050	13.5
83.06087	3.0
83.08613	2.6
84.08143	1.9
91.05470	3.6
93.07035	9.3
95.08605	8.3
96.08150	2.3
97.10136	1.7
105.07010	2.2
105.52509	1.4
107.08597	7.1
108.08147	2.4
109.10160	3.1
119.08596	5.2
121.10177	1.5
122.09638	1.7
122.95363	1.3
126.12801	1.7
131.08560	3.1
132.07980	1.7
133.10138	8.4
134.09674	1.9
135.11707	2.0
144.44385	1.5
145.10121	3.2
205.17191	2.2
239.17683	1.9
310.63721	1.5
316.90125	1.6
342.24118	2.4
350.26950	2.5
359.26929	10.0
377.23422	3.3
377.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2796
Annotation	Phytyl phosphate
Peak:m/z	Relative Intensity
55.05515	12.8
57.07076	13.0
67.05508	73.6
69.07076	29.0
69.07381	2.8
70.03001	2.8
70.06587	5.2
71.08640	4.3
79.05490	16.3
81.07065	100.0
83.08628	19.0
87.05598	58.0
91.05479	23.1
93.07059	35.2
95.08610	87.9
97.06544	4.2
97.10170	5.8
98.02406	13.9
99.08071	3.6
105.07037	13.4
107.08586	19.5
109.10152	52.9
111.20125	3.1
115.05051	32.7
115.08727	13.6
119.08586	12.9
121.10150	29.8
123.11657	26.4
133.10129	26.6
135.11707	19.5
137.13248	5.0
141.12788	3.9
147.11693	18.9
149.13261	6.3
151.14769	5.8
161.13255	11.9
163.14839	7.6
165.16389	4.4
175.14864	6.3
177.16499	4.7
180.28575	3.0
191.10683	19.3
191.32390	3.3
214.53206	3.3
231.15898	12.7
245.22560	42.7
263.23712	68.1
305.07440	3.5
332.25854	5.3
345.23981	6.5
374.53094	3.8
377.12421	4.6
377.27612	65.7
377.31583	9.7
390.43195	3.6
403.04395	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.305
Annotation	7alpha-Hydroxy-5beta-cholan-24-oic Acid
Peak:m/z	Relative Intensity
50.72679	1.8
55.01890	2.2
55.05518	27.7
57.07080	3.5
67.05511	15.5
69.07075	13.6
71.08648	17.7
79.05488	4.3
81.07070	17.8
83.08637	9.3
91.05471	9.3
93.07052	12.0
95.08627	18.1
97.10175	12.8
99.08106	7.3
104.85483	2.0
105.07055	17.4
107.08615	8.5
109.06554	14.7
109.10155	9.8
117.07061	2.1
119.08617	16.1
121.10134	7.7
123.08054	3.6
123.11665	3.1
125.09651	3.6
131.08592	9.0
133.10136	10.3
135.11728	3.2
145.10149	3.8
147.11688	9.4
149.09525	2.3
159.11804	2.8
161.13280	8.7
165.12747	3.7
173.13351	3.6
175.14870	2.5
177.12692	2.2
237.14812	7.7
261.22168	11.3
271.15341	2.0
293.21149	3.0
300.04160	2.0
359.29462	75.5
377.26968	4.9
377.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3049
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
54.97194	2.6
55.05506	12.2
57.07068	12.6
67.05495	6.4
69.06705	2.9
69.07073	72.1
71.08629	34.6
79.05497	4.0
81.07043	18.9
83.08624	21.7
91.05494	3.0
93.07053	4.0
95.08606	7.3
97.10156	7.6
99.08079	6.9
103.31504	3.0
105.07019	2.6
107.08597	11.8
109.10178	13.6
113.00784	3.0
121.10097	4.0
123.11615	3.6
125.13233	4.3
145.10081	4.3
149.13251	4.0
153.38753	2.9
156.80605	3.3
157.10124	17.2
159.11702	4.5
165.12770	18.2
173.13202	4.6
176.81999	3.0
183.11751	3.6
221.19081	4.1
251.17899	4.2
252.18924	4.7
261.22031	5.8
359.29675	10.8
377.30905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3049
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
54.30138	1.9
55.01867	2.7
55.05513	10.0
57.07095	4.2
58.00476	1.9
67.05505	22.5
69.07073	10.3
71.08636	34.0
79.05504	10.8
81.07056	27.5
83.08605	2.4
83.78125	2.2
85.06516	3.4
91.05471	8.7
93.01202	2.2
93.07039	13.2
95.08604	14.6
97.06535	2.4
97.10162	4.5
99.08096	15.7
105.07018	4.6
105.90736	2.0
107.08585	9.6
109.06489	2.6
109.10155	14.9
119.08582	8.7
119.52983	2.1
121.10136	4.0
123.11723	3.7
131.08572	5.4
133.10136	13.3
135.11713	8.7
137.09537	3.1
142.66368	2.1
145.10182	3.8
147.11729	3.9
149.09763	2.5
151.11240	4.4
161.13289	3.4
163.11330	2.9
165.12779	9.1
173.13275	2.8
175.14806	2.5
177.12672	3.2
219.17442	4.5
221.19032	23.5
261.22064	8.3
288.32523	2.6
336.19104	3.4
348.14389	2.7
354.20273	11.7
359.29504	35.7
377.30582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98250	3.1
55.05523	87.7
57.07083	5.6
63.25952	3.0
67.05503	34.4
69.07073	5.9
71.04990	3.2
72.11926	2.7
72.59247	3.4
79.05495	32.4
81.07079	39.4
83.08626	72.0
91.05476	21.2
93.07039	71.0
95.08621	39.5
99.08108	20.8
105.07012	25.0
107.08591	56.3
109.10172	19.9
116.07098	3.9
117.06987	3.3
119.08568	28.5
121.10143	40.6
123.11720	4.3
131.08597	8.0
133.10118	26.5
135.11697	41.6
135.12631	4.6
143.08604	5.1
143.47681	3.4
145.10136	16.4
147.11723	33.3
149.13266	24.5
150.93198	3.4
157.10139	6.9
159.11707	14.2
161.13292	25.1
163.14851	13.5
171.11685	4.6
173.13283	5.9
175.14839	6.6
185.13196	4.2
199.08167	3.5
199.15024	4.3
241.19560	6.8
259.20670	35.0
261.22162	12.7
277.21622	100.0
359.29495	25.8
377.26660	4.7
377.30566	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53122	4.5
55.05521	4.9
57.07072	9.8
65.91666	3.7
67.05492	15.1
69.07073	100.0
70.49747	3.8
71.08630	7.2
72.43469	4.7
81.07053	36.7
83.08619	22.4
92.48563	4.7
93.07049	10.0
95.08594	17.7
99.08089	4.9
107.08643	10.0
109.10218	6.9
110.83981	4.9
119.84522	5.3
121.10106	6.2
135.11729	5.3
157.10129	18.2
183.11740	5.0
194.17076	5.0
251.17940	6.0
261.22052	8.1
293.22699	8.1
336.12106	5.6
336.19360	6.1
339.54660	5.2
354.20370	7.0
371.74997	5.0
377.26794	9.4
377.31766	94.2
382.44812	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40376	0.3
58.06607	0.4
68.28887	0.3
70.06587	0.3
70.90510	0.3
98.49718	0.3
104.43593	0.3
114.91693	0.3
120.08025	0.4
121.06509	0.8
130.06522	0.4
162.17445	0.3
286.14337	2.7
290.08273	0.4
304.09674	3.2
304.15356	0.6
319.08371	0.6
320.09201	0.3
332.09137	7.7
334.10886	0.5
348.08707	0.5
350.10260	4.5
360.08698	0.4
376.07999	0.7
378.09717	100.0
378.19254	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08589	0.5
51.38195	0.6
53.03952	1.5
55.01883	5.2
57.03448	0.6
59.05008	1.0
69.03430	1.5
71.74030	0.6
73.02911	0.7
81.03413	2.8
85.02905	3.7
87.04459	4.4
97.02891	3.2
99.04469	2.6
109.02894	9.4
115.03928	100.0
127.03929	6.9
145.04939	1.0
173.39577	0.6
184.96350	0.6
246.05939	0.8
251.08017	0.6
274.36194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1328
Annotation	hg-10-102-01
Peak:m/z	Relative Intensity
53.70248	0.4
54.65204	0.4
71.69071	0.5
75.85240	0.5
82.55855	0.5
84.52527	0.5
103.24770	0.6
161.05991	1.9
275.07013	1.0
292.09558	2.5
302.08185	0.7
303.06390	0.7
304.09589	0.8
306.07626	2.0
306.11002	0.6
306.36743	0.5
316.09662	2.9
317.10428	5.6
318.07425	0.8
318.11240	2.2
320.09174	20.1
321.09921	2.8
330.07712	1.3
332.09177	2.5
334.07062	0.9
334.10648	6.0
335.11514	5.1
344.09143	2.1
345.09985	2.8
346.10754	7.9
348.08643	35.6
350.10239	3.3
362.10126	5.3
363.11038	12.8
378.13342	100.0
395.50720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88965	0.5
63.68164	0.5
68.05048	0.5
75.79401	0.6
118.68623	0.6
161.06079	0.9
203.48718	0.6
219.96490	0.6
222.32536	0.6
224.46603	0.7
232.06151	0.7
263.81781	0.7
292.09677	1.3
302.08450	1.2
306.07687	1.4
306.69418	0.7
316.09665	2.7
317.10535	7.0
318.11319	3.2
320.09186	17.9
321.10135	0.9
330.07596	1.1
332.09546	1.1
334.10730	4.9
335.11569	3.5
344.09113	2.8
345.09982	3.5
346.10776	9.2
348.08661	32.8
350.10391	0.9
350.65427	0.8
362.10052	5.5
363.11023	13.4
378.13348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50127	0.5
68.23989	0.6
107.44001	0.6
113.39728	0.5
135.17819	0.6
138.66611	0.6
150.66486	0.5
161.06009	0.6
189.39293	0.7
275.83585	0.6
280.06110	0.7
292.09631	1.0
302.08167	1.1
303.06458	0.9
306.07581	0.8
316.09732	2.5
317.10507	6.7
318.11279	3.1
320.09186	20.0
321.10043	2.2
330.07745	0.7
332.09204	1.1
334.10757	7.0
335.11514	4.8
344.09064	2.2
345.09995	3.0
346.10727	7.1
348.08643	31.6
350.10150	1.3
362.10242	5.2
363.11096	12.2
378.13367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28114	0.4
75.11100	0.5
82.61472	0.5
95.18989	0.5
102.09256	0.6
116.81900	0.5
124.25942	0.6
178.16470	0.6
238.19252	0.6
239.61435	0.5
275.07053	0.9
288.22162	0.7
292.09802	0.9
306.07666	1.2
306.11273	0.8
316.09692	2.6
317.10342	5.5
318.07892	0.7
318.11325	2.5
320.09152	17.4
321.10135	0.9
323.07849	0.8
323.23730	0.6
330.07465	1.3
332.09027	0.7
334.10760	4.4
335.11392	5.0
344.09283	1.1
345.09921	3.4
346.10904	7.4
348.08658	32.8
362.10202	5.2
363.11038	14.2
378.13351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10130	0.4
59.23733	0.4
61.97635	0.4
65.01852	0.4
79.34544	0.5
89.85101	0.4
98.10536	0.5
115.39985	0.5
275.07056	0.7
292.09631	1.2
302.08380	0.6
303.06335	0.8
304.09442	0.7
306.07605	0.7
316.09610	1.2
317.10397	6.3
318.11197	2.4
320.09149	18.9
321.10101	0.9
330.07553	0.7
332.09070	0.7
334.10687	5.6
335.11469	5.3
344.09213	0.9
345.10046	2.9
346.10806	6.2
348.08640	31.5
350.10330	0.7
362.10089	4.8
363.11029	15.6
378.13345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1334
Annotation	hg-10-102-01
Peak:m/z	Relative Intensity
59.38073	0.5
66.78500	0.6
66.92514	0.6
83.27834	0.6
101.11230	0.6
118.17519	0.6
242.02869	0.7
275.06909	0.9
292.09787	1.5
302.08032	0.6
303.06470	1.0
306.07819	1.1
306.11072	0.9
316.09656	2.8
317.10446	7.4
318.11185	1.1
320.09177	21.9
321.09958	2.5
330.07733	2.2
332.09232	1.0
334.10657	4.7
335.11591	4.9
344.09161	3.1
345.09979	4.1
346.10815	9.1
348.08661	36.9
350.10406	1.5
362.10229	4.2
363.11041	13.3
378.13348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54679	0.4
55.87294	0.4
59.42200	0.4
63.12588	0.4
73.41378	0.4
78.68532	0.4
112.46174	0.4
131.44766	0.5
161.05965	0.8
223.67984	0.5
249.82784	0.5
292.09607	2.1
302.07889	0.6
304.09750	1.0
306.07599	1.7
306.11111	0.7
316.09686	2.9
317.10507	6.5
318.08014	0.7
318.11276	2.9
320.09134	19.0
321.09967	1.8
330.07672	0.8
332.09088	1.1
334.10577	5.6
335.11475	5.1
344.09225	1.2
345.09912	3.7
346.10736	7.7
348.08636	33.0
350.10126	0.6
362.10272	4.8
363.11032	13.9
378.13358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70480	0.5
58.30547	0.5
72.74646	0.6
75.93326	0.5
99.72536	0.5
107.70110	0.6
161.06004	0.9
285.07410	0.8
292.09814	1.0
302.08191	1.3
304.09720	0.8
306.11353	0.8
316.09650	2.9
317.10437	7.9
318.11127	2.3
320.09146	19.5
321.09897	1.0
330.07703	0.9
334.07016	1.1
334.10538	5.3
335.11551	5.6
344.09210	2.4
345.10010	3.1
346.10797	6.9
348.08624	33.3
350.10156	1.1
362.10315	4.9
363.10986	13.1
378.13330	100.0
392.05173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33791	1.8
57.03440	3.0
58.43558	2.3
61.02929	8.9
61.30455	2.1
62.60011	1.8
66.67168	1.9
69.03429	12.4
72.91973	2.1
81.03433	8.9
85.02911	87.3
91.03944	4.3
97.02885	23.2
109.02869	4.8
111.04446	3.4
127.03964	17.6
131.85117	2.2
135.04391	21.2
137.05920	2.4
139.03912	20.7
145.04959	21.1
153.05469	100.0
163.03975	2.9
180.08653	12.2
181.04970	25.6
199.05983	51.1
213.81316	2.9
216.08662	11.5
378.13904	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27041	0.9
72.25022	1.0
73.72530	1.0
84.46487	0.9
85.02929	1.0
98.59441	0.9
121.10204	1.1
133.10149	6.0
151.11177	1.4
153.05516	1.5
178.51871	1.0
190.45485	1.1
215.12759	2.2
228.23425	1.7
245.13994	1.4
270.04602	1.0
272.25766	3.6
313.70676	1.2
316.09717	4.1
316.13562	1.0
317.10693	7.5
320.05859	1.4
320.09204	12.2
329.00766	1.2
330.11227	16.1
334.10797	26.1
334.14569	2.1
335.11514	14.6
345.13602	10.4
346.14423	24.7
348.05054	6.6
348.12338	25.1
362.13544	1.2
363.07410	4.4
363.14694	8.4
378.09659	6.0
378.17044	100.0
378.27231	2.2
378.32257	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1698
Annotation	Ficuseptine B
Peak:m/z	Relative Intensity
56.27041	0.9
72.25022	1.0
73.72530	1.0
84.46487	0.9
85.02929	1.0
98.59441	0.9
121.10204	1.1
133.10149	6.0
151.11177	1.4
153.05516	1.5
178.51871	1.0
190.45485	1.1
215.12759	2.2
228.23425	1.7
245.13994	1.4
270.04602	1.0
272.25766	3.6
313.70676	1.2
316.09717	4.1
316.13562	1.0
317.10693	7.5
320.05859	1.4
320.09204	12.2
329.00766	1.2
330.11227	16.1
334.10797	26.1
334.14569	2.1
335.11514	14.6
345.13602	10.4
346.14423	24.7
348.05054	6.6
348.12338	25.1
362.13544	1.2
363.07410	4.4
363.14694	8.4
378.09659	6.0
378.17044	100.0
378.27231	2.2
378.32257	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
72.08157	33.1
76.96860	1.8
81.03414	8.5
82.06569	4.2
83.04964	2.7
84.08142	14.8
85.02892	7.9
97.02868	6.9
97.29470	1.7
99.04446	37.1
102.09217	3.2
109.02876	3.8
110.06038	2.2
114.09157	4.1
118.08665	3.1
120.04478	22.7
124.03902	2.6
125.04729	43.9
126.09151	3.5
130.08646	9.4
138.05515	7.6
143.05780	4.6
150.09213	2.8
162.09151	4.1
164.10709	9.4
166.04863	2.1
180.10182	64.4
198.11269	31.7
198.20847	2.1
208.09711	22.6
216.12311	39.8
226.10712	20.5
244.11742	16.6
262.12808	13.4
290.62561	2.3
314.15918	9.4
324.14389	2.8
332.16971	15.6
342.15457	100.0
360.16501	40.2
378.17606	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
72.08157	33.1
76.96860	1.8
81.03414	8.5
82.06569	4.2
83.04964	2.7
84.08142	14.8
85.02892	7.9
97.02868	6.9
97.29470	1.7
99.04446	37.1
102.09217	3.2
109.02876	3.8
110.06038	2.2
114.09157	4.1
118.08665	3.1
120.04478	22.7
124.03902	2.6
125.04729	43.9
126.09151	3.5
130.08646	9.4
138.05515	7.6
143.05780	4.6
150.09213	2.8
162.09151	4.1
164.10709	9.4
166.04863	2.1
180.10182	64.4
198.11269	31.7
198.20847	2.1
208.09711	22.6
216.12311	39.8
226.10712	20.5
244.11742	16.6
262.12808	13.4
290.62561	2.3
314.15918	9.4
324.14389	2.8
332.16971	15.6
342.15457	100.0
360.16501	40.2
378.17606	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.0
55.01881	2.2
55.05515	1.8
58.06610	4.1
71.04994	3.2
72.08150	39.6
73.02905	1.9
73.17527	1.9
81.03416	12.3
82.06577	3.7
83.04957	2.2
84.04513	3.6
84.08144	18.9
85.02893	11.3
86.09704	2.1
92.01691	1.8
92.18537	1.6
97.02882	10.7
97.04833	1.7
99.04459	50.1
102.09158	4.7
108.04486	2.4
109.02876	3.2
112.07589	1.9
114.09174	13.2
118.08656	8.0
120.04466	12.0
124.03939	3.1
125.04732	34.4
126.05423	2.3
126.09128	3.9
127.03928	12.6
130.08655	9.1
138.05521	8.2
143.05798	4.2
143.57649	2.3
145.04961	2.7
148.03862	1.9
150.09116	2.6
152.10683	3.4
156.06534	31.3
160.09686	3.0
161.06841	3.0
162.09140	3.5
164.10730	3.8
168.10284	2.2
180.10187	46.4
189.49915	2.0
196.09605	3.5
198.11270	28.1
208.09671	16.2
216.08978	3.5
216.12277	68.0
226.10687	13.9
244.11780	16.0
262.12860	9.8
314.15793	19.4
332.17072	7.4
342.11951	3.5
342.15469	38.2
360.16544	100.0
378.17883	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16141	0.5
54.42106	0.6
57.48499	0.5
66.33907	0.7
69.03409	1.4
74.17635	0.7
85.02901	8.7
91.05471	1.6
93.07053	2.7
97.02882	3.4
99.04448	9.8
100.04776	3.5
103.05466	0.7
111.49213	0.7
117.05494	4.0
118.05815	1.5
121.06501	8.2
127.03917	1.4
145.04936	1.4
148.05251	0.7
149.06001	2.9
149.56578	0.7
162.65201	0.7
164.94914	0.7
166.06242	4.5
181.08586	100.0
199.09653	62.7
206.77991	0.8
208.71732	0.7
209.08105	0.7
232.80507	0.8
262.10034	0.7
307.12314	0.8
328.10498	0.8
342.49048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	1.1
61.40205	0.6
61.66896	0.6
64.56540	0.7
69.03431	0.9
70.06589	3.7
71.04961	0.7
72.08184	0.7
81.03400	1.0
85.02901	8.2
91.05497	1.5
93.07045	6.2
97.02888	3.3
99.04461	11.0
100.04845	2.4
102.78123	0.7
103.48230	0.8
109.02876	1.1
117.05494	3.1
120.80039	0.8
121.05894	0.6
121.06520	9.4
125.04757	0.9
125.23074	0.7
127.03909	1.1
135.04405	0.9
136.07605	1.8
138.06702	1.1
149.05988	4.4
163.03911	1.1
166.06184	5.6
181.08595	100.0
184.07274	2.6
199.09660	46.0
221.32906	0.8
278.08707	0.8
342.15353	1.4
360.10446	0.9
360.16302	0.9
378.08508	3.8
378.15921	4.8
378.21063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93247	0.8
55.05515	1.1
55.25788	0.7
57.07050	1.1
81.07070	1.4
85.02898	1.1
93.07062	1.7
95.08617	5.9
105.34698	1.1
105.93481	0.9
107.08590	5.7
107.59773	0.9
109.10134	1.3
111.03694	2.0
111.04444	47.0
119.43818	0.9
125.05986	9.5
135.08064	4.4
135.11688	13.3
139.07542	3.5
145.10127	9.5
153.12753	5.3
163.11159	20.8
172.34886	1.1
181.12231	100.0
185.12852	0.8
199.13303	44.4
217.37068	0.9
307.10245	2.0
321.09973	2.4
329.11475	4.0
334.10773	5.5
345.09811	1.4
347.11636	1.3
348.08591	4.6
360.11960	3.5
362.10327	2.3
363.11087	6.5
378.09659	2.3
378.13440	17.7
384.96988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2272
Annotation	Isariotin E
Peak:m/z	Relative Intensity
62.51192	0.8
67.05496	1.0
67.46141	0.8
79.05476	1.3
81.07053	1.1
83.08627	1.1
85.29552	0.7
85.65102	0.9
86.66465	0.9
88.58211	0.8
115.76451	0.8
120.08094	3.9
129.64070	0.8
130.94252	0.8
147.10437	4.1
148.07562	1.8
149.35725	0.9
158.09601	1.3
162.09120	1.1
172.11189	1.3
174.09081	0.9
178.08592	0.9
184.11226	1.0
186.12720	1.2
187.13327	0.9
188.10672	1.6
190.08562	1.9
191.09421	7.0
194.08118	3.3
200.10680	1.7
200.14363	1.4
202.08707	1.2
204.10194	18.0
206.08122	7.1
208.09721	1.0
214.12337	1.6
216.10298	1.4
218.11722	7.8
228.13857	5.2
232.13324	9.6
242.15369	1.9
246.14813	7.1
260.16458	6.2
274.18015	1.7
290.08154	1.2
298.21591	6.3
304.06073	1.3
314.21173	4.3
315.04581	0.9
316.22693	16.9
318.07608	2.1
319.08499	3.3
332.22211	50.4
342.20798	1.7
360.21671	24.7
378.09705	5.6
378.22748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11564	1.9
55.05516	19.5
57.07081	9.4
66.62995	2.3
67.05510	67.2
69.07073	23.4
71.08601	2.1
79.05486	12.2
81.07058	88.3
83.08621	16.6
88.07630	4.0
89.76390	1.8
91.05487	3.6
93.07048	26.4
93.18115	2.2
95.08614	72.1
97.10146	10.9
101.15486	2.1
105.07006	2.5
107.08616	16.9
107.09235	2.5
109.10167	49.2
111.11655	2.6
119.08590	2.3
121.10123	24.3
123.11716	24.6
133.10097	3.0
135.10808	2.2
135.11745	17.3
135.12589	2.2
135.65904	2.0
137.13274	12.9
147.11668	4.7
149.13268	11.6
151.14832	2.5
159.11652	3.3
161.13324	3.4
163.14874	8.4
165.12718	2.8
168.44678	2.0
173.13245	3.4
175.03943	3.0
177.28387	2.2
191.14264	2.7
238.36327	2.2
242.24805	12.5
269.92480	2.2
279.23203	33.8
286.27277	3.7
330.29822	2.8
348.08423	4.6
361.20398	100.0
378.13464	21.3
378.22910	74.6
378.32034	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95716	1.8
57.07081	3.2
68.32190	2.1
69.07053	2.3
69.37164	1.8
70.73038	2.1
71.36372	2.0
79.05471	3.1
81.07059	4.6
86.35643	1.9
95.08620	3.3
98.06059	4.7
98.97579	39.7
109.10151	3.1
116.98623	32.8
134.99657	15.0
139.79555	2.6
150.93327	2.2
316.19397	4.1
318.21066	33.4
331.29196	2.7
334.20410	19.6
336.22101	100.0
359.23880	3.2
361.31064	3.9
378.23178	96.9
378.27359	5.6
378.33102	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59522	1.0
65.00859	1.0
74.09717	2.1
79.10883	1.2
80.05029	11.0
88.65351	1.2
88.68867	1.1
127.12218	1.4
128.98492	1.3
129.01746	1.4
131.00044	7.8
140.98456	2.9
143.00017	8.6
145.01584	1.3
146.99529	1.6
153.02101	7.4
155.00003	5.5
157.01601	10.5
165.02118	4.6
167.00093	1.5
167.03676	8.9
169.01535	11.5
170.99391	8.9
171.03163	10.4
174.98997	32.2
177.02110	1.4
179.03630	2.4
181.01552	1.4
181.05208	10.5
183.03152	7.9
185.01074	12.0
185.04689	1.8
186.98993	2.6
189.00575	53.6
191.03676	1.7
193.05246	2.8
195.06841	5.3
197.01102	2.3
199.00195	1.7
199.02713	2.6
201.00609	5.0
203.02156	10.4
207.06723	1.6
209.01021	1.4
209.08372	1.3
211.02615	2.1
213.00444	1.9
215.02110	7.4
221.08438	1.6
223.02715	1.7
225.04109	2.3
229.03703	4.8
235.09813	2.1
237.11423	1.8
239.05807	1.9
245.37143	1.3
249.11528	1.3
253.07155	2.1
267.97879	1.3
294.24271	1.7
319.19437	23.6
335.15268	4.7
337.16678	100.0
337.20529	40.6
355.21625	10.4
360.21964	1.6
373.22632	1.9
378.19293	1.7
378.30182	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2635
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
55.05496	1.9
55.61688	1.1
57.03434	1.5
57.07069	1.4
67.05499	6.7
69.03429	6.0
69.07064	2.6
70.06601	11.6
79.05475	6.1
81.07066	10.5
81.77174	1.0
83.08631	2.7
86.06072	17.0
88.07637	2.9
88.75458	1.1
91.05466	5.1
93.07037	9.0
95.04941	2.7
95.08603	10.2
97.06513	1.4
98.06055	100.0
105.07014	6.3
107.08582	5.9
109.06500	1.1
109.10165	6.9
117.07065	1.4
119.08609	8.4
121.06470	1.7
121.10159	7.9
123.08045	1.3
123.11711	1.3
126.05517	9.3
129.06927	1.6
131.08528	5.5
133.10150	8.9
135.11678	4.7
136.07669	1.1
137.09618	5.2
142.08685	2.5
145.10126	7.2
147.11670	5.8
149.09615	5.8
151.11154	1.5
151.74037	1.2
154.08643	13.4
157.68108	1.3
159.11691	2.9
161.13251	2.4
163.11180	2.8
169.09955	1.5
171.11594	2.6
173.13266	2.4
185.65535	1.1
186.40665	1.4
189.12825	2.2
219.17493	1.2
229.19641	2.8
239.17775	1.9
242.24768	11.9
257.18942	7.4
274.17920	1.8
275.20016	16.2
286.27173	1.7
292.19019	2.7
310.30225	1.4
330.30002	6.3
342.23947	1.3
348.87253	1.2
360.21191	2.5
360.25336	67.7
378.26178	12.5
378.31711	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2636
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
53.85667	0.5
55.05509	0.9
57.07066	0.8
62.85677	0.5
67.05499	4.4
69.07064	3.8
70.02956	8.4
71.08643	0.7
79.05490	1.1
81.07063	6.6
83.08620	1.4
88.03993	100.0
90.05552	4.0
91.05473	0.7
93.07039	3.4
95.08609	8.9
107.08595	1.4
109.10164	2.6
119.08561	0.7
121.10164	1.1
123.11707	2.3
133.10120	1.1
135.11641	0.7
147.11722	1.1
161.00946	0.7
161.13222	1.2
174.98979	0.8
189.00671	2.5
245.22635	2.3
245.48817	0.6
263.23706	4.0
290.24661	0.9
304.26257	0.9
315.23071	0.7
319.19653	0.8
332.25836	3.3
337.16632	3.1
337.20392	3.4
350.26816	8.3
355.21185	2.4
360.25345	0.9
378.26294	14.0
378.30450	1.2
379.74500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2998
Annotation	Madangolide
Peak:m/z	Relative Intensity
50.17598	1.1
55.05515	2.8
57.07080	3.0
67.05502	15.0
67.50385	1.0
69.07068	2.7
70.55248	1.1
71.08635	1.3
71.22854	1.0
72.09244	0.9
73.78616	1.0
73.88138	1.1
79.05497	4.5
79.93108	1.1
81.07059	16.2
83.04968	1.3
83.08631	2.3
87.04466	12.6
91.05461	1.5
93.07034	5.2
95.08601	17.1
97.06493	1.1
97.10184	1.6
98.58368	1.3
98.97570	2.1
99.04472	1.5
105.07133	1.3
107.08607	5.2
109.10155	9.4
116.07092	100.0
117.26416	1.4
119.08571	1.5
121.10123	6.4
123.11710	2.4
133.10135	1.9
135.11729	1.4
138.75360	1.3
147.11711	2.4
161.13145	1.5
240.92628	1.5
245.22574	1.9
263.23679	2.9
264.55267	1.3
336.22110	12.2
337.14694	1.6
361.31073	1.8
378.23117	12.3
378.29706	28.1
378.33774	8.8
400.93927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3
Annotation	Madangolide
Peak:m/z	Relative Intensity
52.83768	3.2
57.62878	3.1
60.13504	3.0
66.09242	3.6
66.29231	3.1
70.06612	4.0
71.08639	5.8
73.88199	3.4
80.56700	3.5
81.07057	5.6
88.07629	100.0
93.07030	4.4
109.06520	3.4
153.69278	3.6
165.12772	5.2
188.75525	3.8
217.73508	3.7
269.86743	4.0
291.23306	14.3
296.80280	3.6
378.29953	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
55.05518	8.1
56.96600	2.1
59.05008	2.1
59.47286	1.4
67.05509	11.5
72.08160	100.0
76.30826	2.0
79.05508	4.1
81.07063	10.3
86.06070	68.8
91.05467	2.3
93.07053	8.7
95.08595	9.1
96.04488	4.4
96.41179	1.9
98.97588	8.3
100.03354	2.0
100.07627	7.5
101.06010	33.1
105.07041	2.7
107.08604	10.7
107.15462	1.9
109.10201	3.0
116.98595	9.6
118.08653	82.6
119.08546	2.5
121.10156	10.9
131.08600	2.2
133.10133	2.2
135.11710	4.1
149.13252	3.7
243.20984	2.1
253.13367	2.0
261.22095	9.5
316.19452	2.9
318.20914	8.0
332.29532	3.1
334.20621	4.5
336.22119	34.1
378.23114	28.6
378.30014	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63883	1.3
67.05518	2.8
69.07074	2.7
69.23192	2.1
70.06593	79.8
79.05507	2.5
81.07030	6.6
93.07059	1.7
95.08617	4.2
116.07092	100.0
118.63367	1.9
126.55070	1.6
134.81978	2.0
170.23509	1.7
238.02948	2.1
325.77600	1.9
369.84973	2.2
378.30090	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
57.07064	1.5
58.06607	6.1
58.25396	0.6
70.06578	1.1
71.08637	0.8
72.08150	1.5
84.08164	0.8
86.06068	1.6
89.06023	0.8
90.34424	0.8
98.60288	0.6
100.07607	2.7
117.30440	0.6
118.08655	4.5
123.46207	0.7
130.08640	1.7
131.51915	0.7
132.10205	23.3
139.55072	0.8
148.09683	3.4
157.17146	0.6
206.13841	1.6
210.13448	1.1
212.23842	0.8
226.25229	0.9
286.27390	65.1
360.31079	2.8
375.57590	0.8
378.32132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15070	0.6
50.93898	0.6
56.05033	1.5
57.07069	1.4
58.06603	6.1
61.72856	0.6
72.08145	1.6
73.02925	0.7
82.93680	0.6
86.06065	1.0
87.04472	0.7
89.06025	0.9
92.21520	1.3
100.07618	1.2
118.08647	3.8
130.08624	1.1
132.10191	28.0
135.46332	0.7
147.52399	0.6
148.09671	2.5
151.83986	0.7
154.90424	0.8
206.13907	3.1
207.71645	0.6
210.13234	0.9
210.22179	0.7
241.80328	0.8
262.25385	0.7
270.70200	0.7
280.11279	0.7
286.27380	75.4
298.27423	0.7
355.21915	0.7
360.31183	0.8
378.32117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
56.94521	0.6
57.07085	1.3
58.02786	0.6
58.06403	0.5
58.06607	8.0
58.27377	0.5
71.54429	0.6
72.08139	3.2
73.02911	0.8
86.06064	2.8
89.06039	0.8
100.07601	2.5
108.04842	0.7
118.08635	3.5
130.08681	0.8
132.10202	23.0
148.09653	3.0
155.98621	0.7
206.13943	1.4
207.26456	0.8
207.28304	0.7
210.13335	1.0
286.27399	69.2
360.30872	0.9
378.32126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53764	0.6
56.05035	1.2
57.07077	1.4
58.06614	4.8
70.06606	0.6
71.08642	0.9
72.08138	2.8
80.40215	0.6
86.06059	3.6
87.04463	2.5
88.07619	3.3
89.06030	1.5
92.21570	0.7
100.07629	1.3
104.07087	1.1
110.31781	0.6
114.70442	0.7
118.08669	4.0
130.08626	1.3
132.10196	20.6
147.37157	0.7
148.08304	0.5
148.09691	2.6
206.13910	2.9
210.13385	1.1
242.24817	7.2
286.27396	57.4
330.30023	2.6
360.30807	0.9
378.32129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.07081	2.9
67.05489	1.0
67.54326	0.7
68.05046	0.7
69.03435	1.7
69.07072	4.8
70.06599	13.0
71.08643	1.3
79.05459	0.8
79.90520	0.7
81.07063	3.2
83.08628	3.0
84.04509	1.6
85.10240	0.7
86.06069	18.7
93.07063	1.1
95.08617	4.9
97.06546	15.3
97.10154	1.2
98.06058	100.0
107.08603	2.9
109.10150	1.3
111.08092	1.3
117.90298	0.7
121.10119	3.0
122.08441	4.3
128.07089	1.8
133.62347	0.7
135.11655	0.8
140.10701	0.9
149.13234	1.8
154.08649	1.0
156.10229	3.9
163.14876	1.2
168.10208	5.8
275.27399	3.2
360.32626	4.9
378.33664	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30555	2.0
63.31261	1.7
67.05510	2.5
68.85883	2.0
69.07059	3.7
71.08630	29.6
72.42765	2.3
81.07064	9.7
88.11269	95.2
93.07004	2.6
109.10145	2.4
119.08569	3.8
121.10162	2.3
133.32681	2.4
142.20506	2.4
165.12762	3.6
280.26349	2.9
291.23157	10.6
362.50693	2.7
378.33624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21339	0.7
72.08136	5.2
73.11500	0.8
84.04486	1.0
85.02878	1.2
87.04465	1.0
97.02908	1.2
99.04462	1.0
107.04896	0.9
120.08089	1.4
144.08055	1.0
165.38438	0.8
166.08600	1.0
171.17131	0.9
185.04091	1.3
208.06023	0.8
214.11812	1.2
319.04498	1.0
333.09213	1.6
334.07013	4.6
335.10425	1.2
364.10437	0.9
379.09763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1283
Annotation	Thr-His-OH
Peak:m/z	Relative Intensity
55.85152	0.3
62.96653	0.3
85.02896	0.8
87.04506	0.4
99.04449	0.9
115.03915	1.8
121.06486	1.9
122.06838	0.5
127.03922	0.3
127.07466	0.4
180.10271	0.4
221.63994	0.4
287.14703	2.4
293.09195	30.6
335.10281	2.7
363.09738	3.2
364.10675	2.8
379.12866	100.0
394.15356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85152	0.3
62.96653	0.3
85.02896	0.8
87.04506	0.4
99.04449	0.9
115.03915	1.8
121.06486	1.9
122.06838	0.5
127.03922	0.3
127.07466	0.4
180.10271	0.4
221.63994	0.4
287.14703	2.4
293.09195	30.6
335.10281	2.7
363.09738	3.2
364.10675	2.8
379.12866	100.0
394.15356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87408	0.6
57.03434	0.9
60.39283	0.6
61.45219	0.6
64.46946	0.6
69.03423	0.6
70.62096	0.7
74.02456	1.1
75.60423	0.6
82.02930	0.8
84.04514	6.6
85.02894	1.6
88.03973	6.1
91.18625	0.6
97.02876	2.7
99.04445	2.7
101.33966	0.8
110.06015	1.2
114.05556	0.7
125.02376	0.8
126.05541	1.0
127.03894	2.8
130.06532	0.9
134.06844	0.7
136.03911	1.4
138.05481	2.8
144.08083	100.0
150.39691	0.6
152.03473	0.8
154.04999	2.8
156.06531	3.7
156.08028	1.6
172.06050	13.8
174.07642	1.4
178.05121	1.0
180.17352	0.7
182.04489	9.2
197.51118	0.7
200.05490	3.8
209.99001	0.7
211.68810	0.7
218.06609	19.9
229.09679	2.6
299.39023	0.8
315.13504	1.0
317.15109	0.8
333.14377	3.5
343.12918	1.0
361.13879	35.8
379.09882	10.8
379.14944	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1493
Annotation	heptacene
Peak:m/z	Relative Intensity
56.87408	0.6
57.03434	0.9
60.39283	0.6
61.45219	0.6
64.46946	0.6
69.03423	0.6
70.62096	0.7
74.02456	1.1
75.60423	0.6
82.02930	0.8
84.04514	6.6
85.02894	1.6
88.03973	6.1
91.18625	0.6
97.02876	2.7
99.04445	2.7
101.33966	0.8
110.06015	1.2
114.05556	0.7
125.02376	0.8
126.05541	1.0
127.03894	2.8
130.06532	0.9
134.06844	0.7
136.03911	1.4
138.05481	2.8
144.08083	100.0
150.39691	0.6
152.03473	0.8
154.04999	2.8
156.06531	3.7
156.08028	1.6
172.06050	13.8
174.07642	1.4
178.05121	1.0
180.17352	0.7
182.04489	9.2
197.51118	0.7
200.05490	3.8
209.99001	0.7
211.68810	0.7
218.06609	19.9
229.09679	2.6
299.39023	0.8
315.13504	1.0
317.15109	0.8
333.14377	3.5
343.12918	1.0
361.13879	35.8
379.09882	10.8
379.14944	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.7
56.61178	0.5
69.03431	3.2
71.04995	1.0
74.86647	0.5
79.01948	0.5
81.03432	8.5
85.02927	4.0
85.51776	0.4
87.13963	0.4
97.02885	3.4
99.04459	100.0
101.06021	9.8
107.71012	0.5
109.02907	1.1
117.05503	12.4
119.07077	3.2
127.03924	4.2
145.04971	2.9
145.37465	0.5
151.85185	0.5
178.16411	0.5
225.07671	0.5
243.08731	2.0
261.09756	5.4
281.97604	0.5
322.10617	0.7
379.12894	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05508	3.3
57.03422	0.6
69.03431	1.2
72.43053	0.6
81.03415	7.0
83.04983	6.7
85.02907	7.0
97.02883	3.2
99.04458	100.0
101.06015	1.3
109.02921	1.0
117.05493	11.5
119.07044	3.0
127.03912	3.4
140.78040	0.6
145.04990	1.4
186.59706	0.7
243.08594	0.9
261.09674	4.2
330.10422	0.9
383.72906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.7
56.61178	0.5
69.03431	3.2
71.04995	1.0
74.86647	0.5
79.01948	0.5
81.03432	8.5
85.02927	4.0
85.51776	0.4
87.13963	0.4
97.02885	3.4
99.04459	100.0
101.06021	9.8
107.71012	0.5
109.02907	1.1
117.05503	12.4
119.07077	3.2
127.03924	4.2
145.04971	2.9
145.37465	0.5
151.85185	0.5
178.16411	0.5
225.07671	0.5
243.08731	2.0
261.09756	5.4
281.97604	0.5
322.10617	0.7
379.12894	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.05520	9.2
59.05008	1.5
69.03432	5.9
70.06586	1.4
71.04995	39.1
75.04506	1.1
81.03423	11.3
83.04988	33.6
83.16019	1.0
85.02904	21.7
97.02897	8.5
99.04459	100.0
101.06021	67.2
109.02904	4.7
110.99040	1.1
111.04417	1.6
115.03944	4.8
119.07072	12.5
120.14899	1.2
127.03936	5.1
129.05441	2.0
137.07117	1.2
137.08084	11.9
137.25987	1.2
145.04958	5.2
147.06548	5.2
153.05435	2.6
154.05826	1.3
154.15051	1.6
216.97908	1.3
234.98943	5.0
298.05853	1.2
319.04828	1.8
361.14661	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05508	3.3
57.03422	0.6
69.03431	1.2
72.43053	0.6
81.03415	7.0
83.04983	6.7
85.02907	7.0
97.02883	3.2
99.04458	100.0
101.06015	1.3
109.02921	1.0
117.05493	11.5
119.07044	3.0
127.03912	3.4
140.78040	0.6
145.04990	1.4
186.59706	0.7
243.08594	0.9
261.09674	4.2
330.10422	0.9
383.72906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.2
58.06601	1.9
67.05464	1.2
67.11196	1.2
69.03423	5.4
70.06590	2.9
71.04977	1.4
72.08157	55.7
77.97991	1.2
81.03416	2.7
82.06603	2.0
83.04980	2.0
84.08128	7.6
85.02915	10.4
92.21520	2.2
94.23347	1.3
96.04521	2.5
97.02903	6.3
99.04450	12.0
109.02911	1.5
114.09185	6.0
116.07122	1.9
118.08646	2.8
121.06582	1.4
123.08060	1.7
126.09170	2.2
127.03942	6.7
128.07092	2.9
138.05461	1.7
143.05814	1.9
150.09145	81.0
154.08649	8.6
156.10219	1.8
164.10754	3.1
168.10095	1.6
178.08759	1.8
180.10187	18.3
182.11722	18.4
186.11296	2.5
196.09703	12.6
198.11266	29.0
216.12308	46.8
217.15460	10.0
226.10820	2.6
229.61108	1.3
244.11758	1.8
249.16029	11.7
259.42493	1.3
284.38547	1.4
295.16522	100.0
297.18124	1.9
315.11813	3.1
325.17480	12.0
343.12003	2.1
343.18622	56.7
361.12396	6.1
361.19757	32.8
379.15131	9.4
379.20724	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22270	0.9
55.05522	2.2
57.03442	2.5
57.07087	30.2
67.05495	9.0
69.07076	8.0
71.08638	24.4
71.09006	1.9
71.45829	1.0
81.07077	13.7
83.08624	5.9
85.10192	15.4
95.08607	21.2
97.10159	2.0
98.98473	43.9
103.21711	1.2
104.69923	1.3
109.10182	8.7
116.99554	1.0
123.11733	2.2
137.13280	1.9
155.01048	100.0
225.22069	15.4
230.84361	1.1
345.51630	1.1
359.17459	1.4
364.07944	1.2
379.22372	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13393	0.8
55.05524	2.2
56.56825	0.8
57.03449	2.1
57.07084	33.8
67.05506	10.3
69.07077	9.5
71.08634	26.0
72.35328	0.8
79.34129	0.9
81.07072	15.2
83.08620	6.1
85.10198	15.5
92.21169	1.7
94.06294	1.0
95.08602	21.6
97.10174	4.9
98.98466	51.7
100.91962	0.9
107.08625	1.4
109.10152	10.1
111.11729	1.7
116.99490	1.1
123.11730	1.8
133.36732	0.9
155.01044	100.0
161.51981	1.0
166.29984	1.0
207.20963	1.2
225.22194	17.5
230.12386	1.0
308.01740	1.0
364.91760	1.0
379.22174	10.5
379.29205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2476
Annotation	Notonipetrone
Peak:m/z	Relative Intensity
57.07084	8.0
67.05512	0.9
69.07066	1.1
79.05511	0.8
81.07067	0.8
83.08641	0.9
85.06537	4.7
93.07060	0.7
93.72031	0.6
104.42313	0.8
114.84270	0.6
117.09827	0.7
122.78969	0.6
123.04440	2.7
129.00429	0.7
132.21561	0.7
135.11719	0.8
143.88809	0.7
165.05461	3.0
181.12231	1.0
191.43144	0.7
207.10144	9.7
235.10658	0.8
277.17969	100.0
403.98621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.3
54.98120	0.7
55.05520	36.7
57.07077	1.6
61.32105	0.9
64.30400	0.7
66.64189	0.7
67.05176	1.3
67.05509	25.3
69.07078	9.3
71.08607	1.5
78.78799	0.8
79.05508	11.7
81.03424	4.7
81.07063	33.2
83.04986	100.0
83.08627	4.5
86.04151	0.7
91.05487	6.1
91.11293	0.8
92.21589	0.8
93.07041	18.3
95.04980	0.8
95.08614	30.1
97.06532	1.0
97.10181	1.5
99.04463	1.6
101.06011	1.9
105.07027	8.6
107.08595	13.0
109.06529	1.6
109.10159	15.2
111.08088	1.2
117.07011	4.6
119.08590	6.8
121.06503	0.8
121.10139	13.4
123.08080	1.4
123.11702	10.1
125.09519	1.0
131.08578	9.6
133.10104	7.8
135.08055	1.9
135.11694	10.4
137.05994	1.1
137.13219	4.5
145.03899	0.9
145.10127	8.2
147.11678	5.2
149.09669	1.2
149.13283	5.7
157.10127	1.1
159.11691	7.9
161.13231	3.2
163.14830	3.7
171.11714	1.3
173.13275	4.5
175.14856	1.2
187.14847	1.9
200.17712	0.8
201.16417	0.9
207.60249	1.1
219.17361	1.5
238.33537	0.9
243.21080	3.8
249.34242	0.9
261.22137	10.3
277.21603	4.2
279.23203	16.0
291.23260	0.9
303.13260	0.9
343.26318	7.6
347.25806	3.6
361.27414	5.8
379.28586	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.25710	3.2
54.70199	3.6
55.05521	14.8
57.07072	16.8
63.07826	3.7
66.09727	3.6
67.05508	19.6
69.07069	21.8
71.08617	4.2
78.94064	3.6
79.05488	4.8
81.07048	28.8
82.75407	3.5
83.08634	5.8
85.06541	4.4
91.05463	5.4
92.20987	6.8
93.07032	24.8
95.08599	22.5
97.06499	6.0
98.97581	7.5
99.08091	7.5
105.07006	4.2
107.08569	26.9
109.06538	8.5
109.10207	6.4
110.05698	3.4
111.04436	21.7
119.08553	8.7
121.10147	19.9
125.05949	9.0
133.10103	5.5
135.08054	7.6
135.11700	23.1
145.10138	3.9
146.34485	3.7
147.11681	8.5
149.09575	5.6
153.12746	4.8
163.11198	5.8
167.14313	3.9
181.12160	7.1
203.48079	4.0
215.78664	3.6
244.02141	4.2
247.60016	4.1
305.24799	44.7
319.26474	9.1
337.22324	29.1
347.25797	76.6
351.28900	15.1
361.27621	5.7
379.23914	14.3
379.28616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
57.07083	14.3
59.11057	0.2
70.13648	0.3
81.07014	1.3
85.06544	8.9
87.30309	0.3
95.08547	0.4
107.08577	0.5
109.06512	3.0
119.08533	0.6
135.11641	0.5
151.07501	0.4
178.36890	0.4
193.12241	0.5
222.82245	0.3
234.08276	0.3
263.20047	100.0
267.88742	0.3
272.35077	0.3
276.02020	0.3
295.22650	1.4
305.24738	0.7
347.25781	1.5
379.28476	24.4
379.33740	1.9
395.32819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
57.07073	4.9
67.05520	7.2
69.07052	18.0
72.35497	3.6
72.39717	4.6
75.21365	3.9
79.05486	7.9
81.07087	4.8
82.36719	4.5
93.07028	7.1
95.08593	5.3
97.06523	7.3
119.08622	4.6
135.11690	22.3
151.18080	5.9
153.12755	6.7
171.45685	4.5
193.12254	100.0
231.15981	17.0
263.20056	28.0
319.26355	10.7
347.25671	32.6
379.28467	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
55.20369	0.7
57.03439	1.2
57.07079	1.3
58.13180	0.7
59.48449	0.7
67.05506	7.8
69.06751	1.2
69.07076	19.0
71.04990	1.5
71.08617	0.7
79.05512	7.8
81.07057	6.4
83.08633	3.9
85.06540	1.4
91.05432	1.0
93.07037	14.0
95.08618	6.9
97.06530	10.9
99.08072	1.8
107.08588	11.5
109.10162	2.0
111.08084	1.3
121.10120	1.9
122.91286	0.8
135.11690	28.4
137.13197	0.8
145.10094	1.3
153.12738	10.5
163.11183	3.5
167.14281	2.0
179.14320	8.3
191.14369	0.9
193.12231	100.0
205.15907	8.7
221.15329	3.3
231.15886	33.5
235.16849	1.1
263.20062	4.0
319.26288	7.7
347.22375	0.8
347.25800	35.7
379.28436	47.1
399.72794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68725	0.8
55.05518	2.3
56.05037	2.1
58.06608	6.8
59.06136	1.0
65.38877	0.8
67.05505	13.2
67.46449	0.8
69.04562	1.0
69.07056	7.6
70.06587	1.5
71.05009	1.6
74.06055	1.1
75.56499	0.8
77.13956	1.1
79.05495	6.4
81.07059	16.8
82.06593	1.5
83.06101	15.4
83.08607	2.3
84.08144	1.5
85.07682	1.9
86.09718	3.7
91.05496	5.3
93.07030	11.5
94.06582	1.3
95.08615	10.2
96.08172	2.0
97.06551	1.8
97.10175	1.4
98.09750	1.1
99.08109	1.3
100.21696	1.1
105.07063	5.6
107.08580	9.4
108.08072	2.5
109.10164	9.1
110.09672	1.9
117.07038	1.4
119.08573	5.9
120.08161	1.9
121.10114	7.1
122.09677	1.2
124.11237	2.2
131.08577	2.4
133.10149	4.0
135.11682	2.1
145.10103	2.2
146.09679	1.7
147.11713	3.8
159.11697	1.2
160.49556	1.1
161.13274	1.5
165.13869	2.0
166.15948	1.1
178.15941	1.5
179.88942	1.0
219.14909	1.4
277.21472	1.1
294.20630	1.3
316.22678	1.3
320.26038	1.9
326.24844	5.8
336.25250	1.4
337.22253	1.2
343.27597	4.0
344.25693	9.6
352.28574	5.0
361.24628	2.1
361.28494	21.2
362.27039	6.6
379.25790	12.7
379.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20245	1.7
55.05507	3.0
56.05041	2.4
56.75720	1.5
56.84973	1.3
57.07076	1.5
59.06120	7.8
67.05511	14.4
69.07072	100.0
71.08640	3.3
73.90695	1.5
79.05469	2.0
81.07062	20.7
83.06104	6.1
83.08640	2.7
91.05500	2.2
93.07040	7.9
94.06609	1.9
95.06072	1.8
95.08615	15.3
99.66737	1.5
101.07188	5.8
101.09663	63.4
105.07063	2.2
107.08594	8.4
109.07663	1.9
109.10162	8.3
114.14508	1.7
119.08560	6.8
121.10156	2.5
126.12791	1.9
135.08066	2.3
135.11693	1.8
137.13167	1.9
147.11754	2.1
149.13237	2.0
167.15431	2.9
173.13339	1.8
182.15318	2.3
279.23160	1.8
294.24146	2.1
302.24451	1.8
319.23541	4.0
319.26923	3.1
337.24796	9.6
343.27734	2.1
347.25980	13.6
349.28671	2.8
361.28409	10.9
379.29587	76.3
379.33099	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96838	2.6
67.05503	5.0
69.07087	3.0
81.07081	4.4
95.08590	6.1
97.07693	2.5
107.08534	2.2
121.10141	2.5
124.90041	2.9
140.14357	3.6
202.45105	2.4
245.01250	2.6
251.67641	2.6
275.97601	2.3
288.23303	9.6
305.25812	9.9
337.28467	100.0
347.26804	3.5
379.29501	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0762
Annotation	(+)-Oxoturkiyenine
Peak:m/z	Relative Intensity
53.03958	0.7
55.05518	0.5
69.03368	0.5
69.07083	0.5
70.74568	0.4
74.56393	0.5
81.03414	1.2
82.03758	0.5
83.04992	1.1
85.02886	0.8
87.52968	0.5
97.02856	0.7
99.04448	27.4
100.04783	10.1
110.03011	0.6
117.05492	2.6
118.05791	1.0
121.06475	0.8
162.51527	0.5
248.11392	6.6
262.10242	0.6
263.05707	2.2
265.04050	0.7
266.90930	0.5
274.04941	5.6
275.05807	5.4
279.05212	0.6
289.03720	1.2
291.05225	5.9
292.06039	9.8
304.06036	0.9
306.03958	1.1
307.04709	13.5
319.04706	14.5
320.05505	16.9
321.06226	8.0
322.03244	2.0
335.04169	5.3
335.07721	0.7
336.05057	1.8
336.08633	3.8
351.03732	9.6
353.04996	0.6
362.18008	2.3
380.07608	100.0
380.15424	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0762
Annotation	(+)-Oxoturkiyenine
Peak:m/z	Relative Intensity
54.16223	1.4
61.88465	1.5
62.10455	1.4
62.87205	1.3
79.01276	1.4
85.95609	1.6
95.24094	1.6
95.72571	1.6
97.53378	1.6
99.86005	1.6
107.18652	1.5
172.03937	9.1
190.04985	100.0
218.04375	12.0
255.76714	1.9
278.17474	10.3
318.04123	2.0
335.35129	2.3
336.08856	2.4
348.05032	95.8
349.09460	9.1
365.09058	2.0
380.07419	68.5
380.11380	10.7
380.27838	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11008	0.6
52.56109	0.6
52.84144	0.5
57.87434	0.6
60.45118	0.5
61.43254	0.5
63.88308	0.5
72.22858	0.6
76.11335	0.7
93.07003	0.7
125.51038	0.7
186.42325	0.7
203.05838	1.0
294.07654	0.9
307.08401	3.5
311.08026	0.8
320.09280	0.9
322.07120	8.0
334.73212	0.6
336.08658	12.6
337.09399	22.8
337.13199	1.0
346.07062	0.9
347.07889	1.3
348.08456	0.9
350.06586	54.1
364.07922	1.6
365.08942	76.1
369.08383	5.5
380.11282	100.0
380.27921	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1123
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
55.35206	0.7
56.12214	0.6
86.09685	1.3
100.04332	0.8
105.46867	0.7
120.64343	0.8
133.06531	0.7
134.07365	0.8
135.08089	2.6
137.95786	0.7
139.41908	0.8
142.78955	0.8
148.74460	0.7
157.09209	0.9
165.95255	0.7
190.04988	23.5
218.04535	1.1
249.26382	0.7
255.57744	0.8
266.17670	0.9
278.08105	0.9
290.08151	1.6
291.08862	7.7
295.17355	3.5
305.06812	3.8
306.07565	22.3
318.04132	1.5
318.07617	3.9
319.08380	1.4
320.09387	1.1
321.09860	8.6
323.07861	6.0
333.06332	4.6
334.07071	27.8
334.11108	1.2
336.05066	1.3
336.08676	2.7
338.10275	1.1
348.08530	5.5
349.09424	63.9
350.06580	3.2
362.10324	1.7
365.08908	1.0
380.11316	100.0
380.27802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88118	0.2
62.78710	0.2
69.64511	0.3
71.04984	1.1
73.56480	0.2
81.02528	0.2
95.86742	0.3
99.04456	1.7
99.47683	0.2
118.67570	0.2
121.06540	0.3
136.06180	1.1
161.50310	0.3
165.12767	0.4
227.47585	0.3
288.15952	1.6
306.17154	0.4
319.08395	1.3
320.09399	0.5
322.07086	1.5
334.10938	0.5
335.07910	1.2
336.08652	29.6
345.50101	0.3
348.08554	5.3
350.06580	9.5
362.06235	0.5
364.08130	35.5
365.08929	30.9
380.11267	100.0
380.20609	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1125
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
53.45261	0.7
66.37324	0.8
109.03923	0.9
119.16146	0.9
143.63669	1.0
190.05037	6.1
191.07083	3.9
208.73726	1.0
290.08124	1.8
291.05695	1.6
291.08795	10.6
306.07602	22.4
317.06894	1.7
318.07593	3.6
321.10022	6.6
323.07877	4.5
333.06171	3.2
334.07101	34.2
334.11057	1.5
336.08710	3.4
336.12384	3.3
348.08829	1.4
349.09448	70.9
350.02863	2.0
380.11316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77891	0.6
58.06601	0.6
58.51502	0.6
99.04465	1.2
105.10561	0.9
117.05505	1.0
120.08098	1.0
144.08125	0.9
161.05894	0.9
164.07076	1.4
176.48061	0.7
178.08617	2.6
183.13789	0.8
187.10750	1.1
190.04993	1.3
206.85336	0.7
215.10193	1.0
218.04483	1.1
239.09410	0.9
263.09439	1.0
275.09348	0.9
279.09018	0.8
291.08865	17.3
304.09723	0.8
306.07544	6.1
307.08542	0.8
319.08395	29.2
320.09164	4.4
321.09915	4.1
322.07156	0.8
333.06348	1.6
334.07059	12.6
336.08646	12.9
348.08609	1.1
348.17813	1.0
350.06641	11.5
364.08017	1.1
365.08844	4.1
380.11240	100.0
380.20868	8.9
395.89410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72705	1.3
60.68226	1.4
126.25019	1.6
126.73725	1.6
128.97549	1.6
174.15634	1.9
258.17273	1.7
278.17245	1.8
308.09189	23.7
320.09091	6.8
322.07196	10.1
336.08609	32.7
336.11993	2.8
337.09503	14.6
348.08728	2.5
349.09515	7.5
365.09094	2.4
380.11288	100.0
380.15057	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1126
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
54.23692	0.6
57.98802	0.6
70.80279	0.8
73.63602	0.7
97.84850	0.7
118.23889	0.6
175.03888	9.5
190.05023	1.2
259.66428	0.9
291.08777	1.3
301.07321	1.3
304.06009	6.8
308.09283	1.7
318.07657	5.4
319.08386	12.1
320.09204	0.9
321.06354	1.6
322.07101	13.8
332.05313	1.2
336.08643	38.2
337.09384	5.6
347.07806	5.8
348.08588	1.8
350.06595	19.0
365.08905	39.9
380.11285	100.0
380.32858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1122
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
50.64559	0.7
53.76936	0.7
54.46851	0.9
57.78544	0.7
59.18775	0.8
64.17666	0.8
74.72909	0.7
96.60111	0.9
106.03795	0.8
117.71289	0.8
140.31929	0.9
176.90575	1.0
250.42197	1.0
275.09393	1.0
278.07983	4.2
291.08850	1.5
292.09653	52.0
293.09689	1.1
304.09631	11.9
306.07620	21.2
307.08176	1.7
318.11047	1.3
320.05383	2.1
320.09174	62.2
321.09964	30.4
322.10373	12.7
334.10797	1.1
336.08667	1.2
336.12326	14.2
337.08676	1.7
337.12628	32.1
339.14078	1.1
348.12009	1.2
350.10086	10.8
364.11557	2.1
365.12357	4.9
380.11108	100.0
380.15265	16.9
383.38394	1.1
403.34320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1126
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
55.88874	0.4
70.21317	0.4
86.09689	1.9
99.04424	1.9
112.07411	0.5
217.57034	0.5
233.20667	0.5
263.09204	1.0
275.09235	0.8
277.07092	0.5
282.07297	2.0
291.06052	0.6
291.08890	10.9
292.09604	0.6
294.09555	5.6
306.07397	3.2
319.08423	18.9
320.08871	1.9
321.09747	1.7
322.06912	0.8
334.07166	6.7
334.10535	1.0
336.08728	7.3
336.12134	1.9
346.39590	0.5
350.06616	4.8
364.08081	2.0
365.08881	1.8
380.11066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45261	0.7
66.37324	0.8
109.03923	0.9
119.16146	0.9
143.63669	1.0
190.05037	6.1
191.07083	3.9
208.73726	1.0
290.08124	1.8
291.05695	1.6
291.08795	10.6
306.07602	22.4
317.06894	1.7
318.07593	3.6
321.10022	6.6
323.07877	4.5
333.06171	3.2
334.07101	34.2
334.11057	1.5
336.08710	3.4
336.12384	3.3
348.08829	1.4
349.09448	70.9
350.02863	2.0
380.11316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1125
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
50.09422	0.8
53.17492	0.9
68.37878	1.1
69.04557	1.2
81.07064	1.2
104.93771	1.2
151.07642	1.1
241.56697	1.2
280.10019	2.2
292.06656	1.4
292.09845	4.7
296.74304	1.3
305.07166	1.5
306.07611	2.1
308.09183	8.4
318.07785	2.3
320.09183	4.6
321.09985	1.7
322.10852	2.5
324.12335	2.8
332.09091	2.0
334.07156	5.1
336.08728	11.3
336.12341	2.1
348.08774	2.7
349.09253	10.9
350.06363	6.6
350.10385	5.5
351.10959	5.6
352.11835	15.7
365.09039	4.8
380.11313	100.0
380.27676	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04887	0.3
54.24842	0.4
61.38110	0.4
71.97177	0.4
80.43571	0.4
95.14697	0.5
117.00702	0.4
123.93218	0.5
181.08366	1.9
200.54565	0.5
206.07716	0.8
262.04495	0.6
278.07962	1.0
280.01141	0.4
306.07861	3.2
307.08353	4.3
319.11874	2.4
320.09036	0.5
321.09824	2.9
321.13373	0.6
322.10754	3.6
334.06970	0.9
334.10645	1.7
335.07935	0.9
336.08575	1.0
336.12204	3.3
349.09586	1.9
350.10211	100.0
355.63718	0.5
364.11740	2.9
365.09027	0.6
365.12546	22.0
380.11386	3.5
380.14972	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47256	0.4
65.66709	0.4
70.51161	0.4
72.39861	0.4
163.92245	0.4
168.27003	0.4
304.09814	0.9
319.12000	0.6
320.09244	0.9
322.07236	0.4
322.10715	2.4
332.09091	1.9
334.10727	24.3
335.11481	0.8
336.08688	1.4
336.12250	23.6
348.12286	9.5
349.13464	0.5
350.10260	16.4
364.11761	19.9
365.12561	25.6
380.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1491
Annotation	N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one
Peak:m/z	Relative Intensity
52.47256	0.4
65.66709	0.4
70.51161	0.4
72.39861	0.4
163.92245	0.4
168.27003	0.4
304.09814	0.9
319.12000	0.6
320.09244	0.9
322.07236	0.4
322.10715	2.4
332.09091	1.9
334.10727	24.3
335.11481	0.8
336.08688	1.4
336.12250	23.6
348.12286	9.5
349.13464	0.5
350.10260	16.4
364.11761	19.9
365.12561	25.6
380.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47256	0.4
65.66709	0.4
70.51161	0.4
72.39861	0.4
163.92245	0.4
168.27003	0.4
304.09814	0.9
319.12000	0.6
320.09244	0.9
322.07236	0.4
322.10715	2.4
332.09091	1.9
334.10727	24.3
335.11481	0.8
336.08688	1.4
336.12250	23.6
348.12286	9.5
349.13464	0.5
350.10260	16.4
364.11761	19.9
365.12561	25.6
380.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47256	0.4
65.66709	0.4
70.51161	0.4
72.39861	0.4
163.92245	0.4
168.27003	0.4
304.09814	0.9
319.12000	0.6
320.09244	0.9
322.07236	0.4
322.10715	2.4
332.09091	1.9
334.10727	24.3
335.11481	0.8
336.08688	1.4
336.12250	23.6
348.12286	9.5
349.13464	0.5
350.10260	16.4
364.11761	19.9
365.12561	25.6
380.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.149
Annotation	N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one
Peak:m/z	Relative Intensity
51.04887	0.3
54.24842	0.4
61.38110	0.4
71.97177	0.4
80.43571	0.4
95.14697	0.5
117.00702	0.4
123.93218	0.5
181.08366	1.9
200.54565	0.5
206.07716	0.8
262.04495	0.6
278.07962	1.0
280.01141	0.4
306.07861	3.2
307.08353	4.3
319.11874	2.4
320.09036	0.5
321.09824	2.9
321.13373	0.6
322.10754	3.6
334.06970	0.9
334.10645	1.7
335.07935	0.9
336.08575	1.0
336.12204	3.3
349.09586	1.9
350.10211	100.0
355.63718	0.5
364.11740	2.9
365.09027	0.6
365.12546	22.0
380.11386	3.5
380.14972	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04887	0.3
54.24842	0.4
61.38110	0.4
71.97177	0.4
80.43571	0.4
95.14697	0.5
117.00702	0.4
123.93218	0.5
181.08366	1.9
200.54565	0.5
206.07716	0.8
262.04495	0.6
278.07962	1.0
280.01141	0.4
306.07861	3.2
307.08353	4.3
319.11874	2.4
320.09036	0.5
321.09824	2.9
321.13373	0.6
322.10754	3.6
334.06970	0.9
334.10645	1.7
335.07935	0.9
336.08575	1.0
336.12204	3.3
349.09586	1.9
350.10211	100.0
355.63718	0.5
364.11740	2.9
365.09027	0.6
365.12546	22.0
380.11386	3.5
380.14972	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46578	2.0
53.03963	3.2
55.01871	2.4
56.05035	6.6
63.97361	2.3
68.00515	3.2
69.03429	4.5
70.06599	2.8
71.04974	3.3
72.08164	5.7
74.06071	12.5
81.03419	25.1
82.61291	3.3
85.02899	14.6
85.53056	2.4
86.06067	6.5
87.04455	6.1
88.03989	12.9
96.04501	3.2
97.02897	28.5
98.06051	22.2
99.04461	74.9
102.05543	26.9
104.07124	5.2
109.02876	20.4
110.06058	11.6
112.04028	3.2
112.07597	11.6
116.07098	5.2
120.04476	35.0
122.06039	11.1
125.04736	35.0
127.03920	12.8
128.07072	3.9
130.05023	3.4
132.06572	3.6
134.04520	3.7
136.07558	6.4
138.05533	14.5
140.07065	17.7
143.05832	4.7
144.06575	19.1
144.10124	4.0
148.03896	3.7
152.07063	4.6
156.06567	10.2
164.07088	27.9
166.04994	11.0
166.08644	3.7
170.08096	3.5
182.08112	21.8
184.06079	5.0
186.07584	34.0
200.09087	5.8
210.07628	89.7
228.08693	40.2
244.05862	3.1
246.09760	15.2
248.11421	6.8
264.10754	6.4
278.08771	3.5
304.94870	2.9
316.13779	3.8
326.12363	3.1
334.14737	2.9
344.13361	43.0
362.14468	100.0
380.15338	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46578	2.0
53.03963	3.2
55.01871	2.4
56.05035	6.6
63.97361	2.3
68.00515	3.2
69.03429	4.5
70.06599	2.8
71.04974	3.3
72.08164	5.7
74.06071	12.5
81.03419	25.1
82.61291	3.3
85.02899	14.6
85.53056	2.4
86.06067	6.5
87.04455	6.1
88.03989	12.9
96.04501	3.2
97.02897	28.5
98.06051	22.2
99.04461	74.9
102.05543	26.9
104.07124	5.2
109.02876	20.4
110.06058	11.6
112.04028	3.2
112.07597	11.6
116.07098	5.2
120.04476	35.0
122.06039	11.1
125.04736	35.0
127.03920	12.8
128.07072	3.9
130.05023	3.4
132.06572	3.6
134.04520	3.7
136.07558	6.4
138.05533	14.5
140.07065	17.7
143.05832	4.7
144.06575	19.1
144.10124	4.0
148.03896	3.7
152.07063	4.6
156.06567	10.2
164.07088	27.9
166.04994	11.0
166.08644	3.7
170.08096	3.5
182.08112	21.8
184.06079	5.0
186.07584	34.0
200.09087	5.8
210.07628	89.7
228.08693	40.2
244.05862	3.1
246.09760	15.2
248.11421	6.8
264.10754	6.4
278.08771	3.5
304.94870	2.9
316.13779	3.8
326.12363	3.1
334.14737	2.9
344.13361	43.0
362.14468	100.0
380.15338	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1702
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
53.03958	0.5
53.87511	0.3
54.21706	0.3
71.53831	0.4
85.02886	1.6
91.05465	1.7
93.07034	5.9
97.02885	2.8
98.06018	0.7
99.04445	4.9
103.05457	2.0
107.04955	4.0
108.04478	2.2
121.06501	100.0
122.06026	4.7
125.04748	0.9
126.05493	4.1
136.24805	0.4
138.09164	0.4
144.06560	2.5
148.07578	2.5
150.09088	0.5
158.08174	0.4
162.07651	0.6
164.94571	0.4
246.11241	3.9
264.12332	2.2
282.13327	3.2
304.76953	0.6
362.15952	16.2
380.17044	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78151	0.4
60.14042	0.4
73.92258	0.5
82.30373	0.4
108.77483	0.4
120.86932	0.4
140.71378	0.5
256.60632	0.5
304.13287	3.4
306.07770	0.6
318.14868	3.0
319.15735	2.8
320.09177	2.1
321.10211	0.6
332.12851	8.0
334.10617	1.0
335.11456	0.9
336.08646	1.5
336.12259	13.9
336.15970	3.2
346.14362	21.4
347.15103	17.0
347.19070	0.9
348.15921	4.5
349.09439	2.0
350.13855	50.3
364.15451	8.1
365.16205	14.4
380.11685	4.0
380.18542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63191	0.4
50.79010	0.5
51.87592	0.5
52.47379	0.5
53.48388	0.5
55.46095	0.5
56.01348	0.5
58.25870	0.5
58.70461	0.5
66.08601	0.4
67.77549	0.5
70.73009	0.6
92.20925	0.7
146.03877	0.6
270.76013	0.6
292.09579	1.0
303.67047	0.6
304.10010	0.7
304.13345	3.7
318.14905	4.8
319.15674	3.3
320.09171	1.2
332.09305	1.0
332.12787	8.5
335.11591	1.1
336.08752	1.5
336.12302	11.0
336.15991	4.1
346.14377	19.0
347.15164	21.0
348.15878	4.1
350.13864	59.7
364.15353	8.7
365.16232	17.3
380.18582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1854
Annotation	10S,13aR-antofine N-oxide
Peak:m/z	Relative Intensity
53.39635	0.5
54.63059	0.6
70.06586	1.1
79.05476	0.5
116.07082	2.2
125.16329	0.6
126.01203	0.5
131.93137	0.5
135.69638	0.5
175.03960	0.7
304.13303	4.5
318.14899	3.2
319.15729	2.7
332.09360	0.8
332.12827	7.6
334.10822	0.7
334.14352	0.9
335.11325	0.9
336.08618	1.3
336.12259	12.6
336.16010	4.2
346.10797	0.9
346.14337	22.2
347.11310	1.0
347.15189	16.7
348.16052	2.8
350.10141	3.3
350.13837	55.5
364.15518	8.3
365.12555	0.6
365.16220	13.5
380.14996	4.8
380.18555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1854
Annotation	10S,13aR-antofine N-oxide
Peak:m/z	Relative Intensity
53.39635	0.5
54.63059	0.6
70.06586	1.1
79.05476	0.5
116.07082	2.2
125.16329	0.6
126.01203	0.5
131.93137	0.5
135.69638	0.5
175.03960	0.7
304.13303	4.5
318.14899	3.2
319.15729	2.7
332.09360	0.8
332.12827	7.6
334.10822	0.7
334.14352	0.9
335.11325	0.9
336.08618	1.3
336.12259	12.6
336.16010	4.2
346.10797	0.9
346.14337	22.2
347.11310	1.0
347.15189	16.7
348.16052	2.8
350.10141	3.3
350.13837	55.5
364.15518	8.3
365.12555	0.6
365.16220	13.5
380.14996	4.8
380.18555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
54.55318	0.7
54.71983	0.8
57.09146	0.7
59.71247	0.8
63.33760	0.8
69.03428	3.7
71.04992	1.9
77.42036	0.8
80.90074	0.8
81.03415	7.2
85.02929	6.1
85.03358	0.8
91.03774	0.8
97.02876	6.0
99.04462	100.0
103.70257	0.9
109.02914	1.1
117.05469	10.6
121.06487	0.9
127.03912	3.1
133.16615	0.8
145.04997	3.6
165.12820	3.1
178.08617	8.9
194.75349	0.9
201.14026	0.8
202.49077	0.9
220.24332	1.0
261.09659	7.9
269.08902	1.0
292.13364	1.3
336.12622	0.9
361.30893	0.8
362.19363	1.5
380.11038	12.9
380.20746	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37621	3.4
53.61805	2.9
56.56414	2.6
57.63662	3.4
61.27036	2.9
62.90234	3.1
69.07084	8.3
70.16006	3.0
81.07048	8.4
88.81803	3.1
92.21500	4.0
93.07037	6.8
95.08620	6.5
97.95669	3.8
107.08560	4.7
109.10196	4.0
121.10162	5.6
123.11677	5.2
124.68041	4.0
133.10146	4.6
135.11632	5.3
147.11716	9.1
165.52989	3.9
213.09161	5.1
227.10704	7.6
241.12250	5.9
251.10718	5.2
251.14493	4.8
252.23235	4.6
255.09915	4.8
265.08630	8.3
267.10248	15.0
272.12485	4.3
277.39371	4.2
279.10101	7.9
279.13809	7.5
280.10928	6.1
281.11819	9.1
293.11725	20.6
293.15097	6.9
307.13248	15.1
335.20016	65.3
363.19571	77.0
380.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69460	0.7
55.05521	1.6
56.05045	18.3
57.68846	0.8
57.95338	0.7
66.12114	0.8
67.05515	7.2
69.07066	1.3
72.08155	7.4
74.06087	61.4
79.05505	3.6
81.07082	9.0
81.74872	0.8
83.08640	1.2
84.04495	1.0
88.03989	4.5
91.05473	1.4
92.21571	0.9
93.07057	8.4
95.08635	7.8
102.05556	49.4
105.07038	4.1
107.08581	5.7
109.10165	4.3
117.06979	1.3
118.08644	4.6
119.08556	1.3
120.06583	100.0
121.10142	5.0
131.08560	1.7
133.10172	1.8
135.11720	4.0
145.10150	1.4
149.13290	2.3
154.08269	1.0
163.14877	1.3
173.13144	1.0
215.03586	1.1
243.20969	1.8
252.55684	0.9
261.22162	7.8
339.19113	8.8
362.27219	2.8
366.80872	1.1
380.27939	23.0
380.32141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69460	0.7
55.05521	1.6
56.05045	18.3
57.68846	0.8
57.95338	0.7
66.12114	0.8
67.05515	7.2
69.07066	1.3
72.08155	7.4
74.06087	61.4
79.05505	3.6
81.07082	9.0
81.74872	0.8
83.08640	1.2
84.04495	1.0
88.03989	4.5
91.05473	1.4
92.21571	0.9
93.07057	8.4
95.08635	7.8
102.05556	49.4
105.07038	4.1
107.08581	5.7
109.10165	4.3
117.06979	1.3
118.08644	4.6
119.08556	1.3
120.06583	100.0
121.10142	5.0
131.08560	1.7
133.10172	1.8
135.11720	4.0
145.10150	1.4
149.13290	2.3
154.08269	1.0
163.14877	1.3
173.13144	1.0
215.03586	1.1
243.20969	1.8
252.55684	0.9
261.22162	7.8
339.19113	8.8
362.27219	2.8
366.80872	1.1
380.27939	23.0
380.32141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42547	0.8
52.90574	0.8
55.01878	1.0
55.05527	9.0
57.03439	1.0
57.07071	1.2
60.08163	1.6
64.32880	0.8
64.67816	0.8
67.05511	14.9
67.62171	0.7
69.07076	7.2
79.05500	20.6
81.06607	1.6
81.07056	21.4
83.04989	2.2
83.08621	4.0
86.09715	1.3
86.72807	0.9
87.04445	1.0
91.05482	12.4
93.07045	29.4
93.07636	1.4
95.04972	1.5
95.08610	16.7
99.04450	15.9
105.07043	17.6
107.08598	16.0
109.06496	1.0
109.10172	6.8
111.08083	1.1
111.17986	0.9
116.32516	1.0
117.07009	3.5
119.08582	16.1
121.06518	1.1
121.10142	12.6
123.11703	2.0
131.08572	7.1
133.10130	13.7
135.08119	1.3
135.11714	6.0
143.08539	1.9
145.10135	4.7
147.11705	8.5
149.13298	2.2
159.11688	2.1
161.13280	4.3
259.20505	1.2
303.23236	4.7
321.24207	1.5
350.10132	6.8
359.88071	1.0
365.12659	4.7
380.14981	6.7
380.31647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42547	0.8
52.90574	0.8
55.01878	1.0
55.05527	9.0
57.03439	1.0
57.07071	1.2
60.08163	1.6
64.32880	0.8
64.67816	0.8
67.05511	14.9
67.62171	0.7
69.07076	7.2
79.05500	20.6
81.06607	1.6
81.07056	21.4
83.04989	2.2
83.08621	4.0
86.09715	1.3
86.72807	0.9
87.04445	1.0
91.05482	12.4
93.07045	29.4
93.07636	1.4
95.04972	1.5
95.08610	16.7
99.04450	15.9
105.07043	17.6
107.08598	16.0
109.06496	1.0
109.10172	6.8
111.08083	1.1
111.17986	0.9
116.32516	1.0
117.07009	3.5
119.08582	16.1
121.06518	1.1
121.10142	12.6
123.11703	2.0
131.08572	7.1
133.10130	13.7
135.08119	1.3
135.11714	6.0
143.08539	1.9
145.10135	4.7
147.11705	8.5
149.13298	2.2
159.11688	2.1
161.13280	4.3
259.20505	1.2
303.23236	4.7
321.24207	1.5
350.10132	6.8
359.88071	1.0
365.12659	4.7
380.14981	6.7
380.31647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07315	1.5
55.05519	2.8
57.07059	3.3
63.86600	1.7
67.05496	4.7
69.07069	4.6
70.06586	11.3
72.04509	10.0
73.02901	1.9
79.05495	2.9
81.07069	9.2
83.08615	8.5
83.99652	2.1
84.92838	1.6
90.30626	1.9
91.27383	1.7
91.41896	1.8
93.07018	2.1
95.08607	10.8
97.10184	2.6
98.06059	15.2
103.97293	1.8
109.10155	3.0
116.07093	100.0
117.35300	2.0
121.10126	3.8
122.47848	1.8
135.11659	2.1
264.20422	8.8
334.09088	2.1
380.31793	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	15.5
72.08160	57.3
77.35096	2.9
81.07050	14.9
86.06067	100.0
93.51820	3.8
95.08614	15.3
98.79788	3.6
100.07605	13.9
101.06020	56.0
109.10150	6.0
116.84886	3.1
118.08662	55.5
221.12251	3.1
236.58377	3.4
278.64722	3.0
327.23584	3.6
371.03476	3.4
380.31720	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30430	1.3
60.58785	1.3
72.57085	1.3
74.58540	1.3
81.70041	1.5
135.93536	1.5
222.28412	1.6
357.12387	1.6
367.67679	1.5
371.12338	1.6
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06468	1.2
59.67256	1.0
75.44785	1.3
113.87609	1.4
114.51244	1.6
307.99704	1.5
381.07919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06368	0.4
52.77264	0.4
58.06599	0.5
63.79364	0.6
69.23987	0.5
70.06575	0.5
77.82465	0.5
85.06535	1.1
86.05658	0.5
89.65577	0.5
96.90382	0.6
99.04461	5.6
117.05459	0.7
128.32915	0.5
133.32806	0.7
134.35269	0.6
139.86119	0.7
143.82011	0.6
194.70804	0.6
235.91451	0.6
259.89297	0.6
278.21027	0.6
282.07666	0.6
283.08096	0.9
291.21976	0.6
293.09134	2.2
294.10083	2.4
321.08707	3.8
322.09467	100.0
324.10495	0.6
350.12717	1.0
353.14908	1.1
381.10745	46.3
381.14435	2.7
381.18518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69683	1.3
76.01776	1.5
88.51416	1.4
89.24364	1.3
96.60139	1.3
114.03307	1.3
172.03912	56.7
183.21796	1.4
190.04993	100.0
193.04948	5.1
202.04997	13.3
255.87227	1.8
256.55627	1.5
291.07623	3.1
319.06943	10.0
320.07773	2.3
322.10666	6.2
335.09497	2.7
337.08990	2.7
347.06821	2.5
349.10730	2.3
350.11496	2.1
353.11926	2.7
363.09705	44.9
381.10583	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1327
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
57.03423	2.1
62.67568	2.5
83.56001	2.6
92.20908	5.4
100.38692	2.6
119.08570	2.9
121.10175	2.8
132.68736	2.9
207.18567	3.2
215.08577	3.5
218.07312	4.7
232.08820	3.1
233.09564	10.2
243.07896	4.5
246.06902	4.1
247.07547	3.2
259.07538	5.0
260.08298	18.5
261.09171	29.4
263.06995	4.5
274.06265	3.7
275.07077	4.2
277.63464	2.8
278.09393	11.4
287.07159	3.2
288.07758	15.4
289.08600	13.4
290.09158	3.9
291.06439	11.2
305.04907	3.3
305.07788	17.6
306.08960	21.6
307.09775	3.0
316.07266	4.3
319.05746	3.7
320.10275	10.2
321.11130	23.4
323.09192	3.3
334.08182	3.7
335.09152	15.6
348.10229	3.1
349.10666	54.7
350.11481	5.3
351.08517	15.1
366.10974	12.2
381.13324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1333
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.65688	0.6
57.77457	0.6
65.63232	0.5
73.75903	0.5
81.03403	0.7
81.07066	1.3
82.22952	0.5
91.05448	0.7
92.21540	0.8
93.07035	0.7
99.04449	3.0
99.19435	0.6
107.08638	0.9
109.02882	2.5
121.10146	0.8
133.10034	0.6
139.07581	0.7
153.72885	0.6
166.06262	0.7
177.05519	0.7
181.08620	3.1
182.21098	0.6
187.07623	0.9
190.06320	0.9
195.06583	0.9
205.08676	2.4
213.05441	4.8
235.07512	0.8
260.08273	0.8
261.09140	1.4
263.06873	1.0
265.14346	1.2
273.05634	0.8
275.07129	2.8
276.08105	0.7
277.08661	1.3
278.09433	1.0
279.10239	1.1
287.07001	0.8
288.07800	0.8
289.08823	1.1
291.06540	6.6
291.09903	1.3
301.08609	0.8
303.06659	5.7
303.09766	0.7
304.07382	1.1
305.08261	4.7
305.11411	0.9
306.08722	5.8
307.09595	7.0
308.10315	0.8
316.07385	0.8
317.08163	4.3
318.08881	4.2
319.06009	8.3
319.09738	8.0
320.06769	2.4
320.10281	0.9
321.11194	4.0
322.12024	2.9
323.09109	6.7
332.10510	1.5
333.07333	1.1
334.08310	11.8
335.09125	28.5
335.13211	1.0
338.11481	0.9
349.10669	24.0
350.11447	27.8
351.08615	16.2
366.10956	12.1
381.13342	100.0
381.18591	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65688	0.6
57.77457	0.6
65.63232	0.5
73.75903	0.5
81.03403	0.7
81.07066	1.3
82.22952	0.5
91.05448	0.7
92.21540	0.8
93.07035	0.7
99.04449	3.0
99.19435	0.6
107.08638	0.9
109.02882	2.5
121.10146	0.8
133.10034	0.6
139.07581	0.7
153.72885	0.6
166.06262	0.7
177.05519	0.7
181.08620	3.1
182.21098	0.6
187.07623	0.9
190.06320	0.9
195.06583	0.9
205.08676	2.4
213.05441	4.8
235.07512	0.8
260.08273	0.8
261.09140	1.4
263.06873	1.0
265.14346	1.2
273.05634	0.8
275.07129	2.8
276.08105	0.7
277.08661	1.3
278.09433	1.0
279.10239	1.1
287.07001	0.8
288.07800	0.8
289.08823	1.1
291.06540	6.6
291.09903	1.3
301.08609	0.8
303.06659	5.7
303.09766	0.7
304.07382	1.1
305.08261	4.7
305.11411	0.9
306.08722	5.8
307.09595	7.0
308.10315	0.8
316.07385	0.8
317.08163	4.3
318.08881	4.2
319.06009	8.3
319.09738	8.0
320.06769	2.4
320.10281	0.9
321.11194	4.0
322.12024	2.9
323.09109	6.7
332.10510	1.5
333.07333	1.1
334.08310	11.8
335.09125	28.5
335.13211	1.0
338.11481	0.9
349.10669	24.0
350.11447	27.8
351.08615	16.2
366.10956	12.1
381.13342	100.0
381.18591	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.133
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
50.10669	0.5
56.39350	0.6
67.05474	0.7
76.80087	0.6
81.07043	0.8
94.90002	0.7
107.08578	1.2
123.11683	0.7
139.04852	0.8
151.07639	0.8
159.08058	3.7
176.05054	0.7
181.08646	1.7
185.05896	0.8
190.06381	1.0
205.08609	1.0
206.08087	1.4
207.08478	3.5
213.05495	3.8
227.07036	0.9
235.07643	0.8
261.09348	0.9
263.07047	2.7
274.06390	0.9
277.08630	0.9
278.09439	1.3
279.10330	1.5
288.07800	0.9
289.08295	2.1
289.18457	0.7
289.21490	4.8
290.09302	1.7
291.06564	7.5
291.09814	0.9
303.06451	7.1
305.08182	3.3
306.08807	5.8
307.09656	8.5
307.22705	0.9
308.10318	0.8
316.07291	0.9
317.08063	1.6
318.08932	3.9
319.06042	10.3
319.09702	8.3
320.06824	3.2
321.11188	5.6
322.12067	1.7
323.09006	5.5
332.10406	2.6
333.07684	2.8
334.08325	11.7
335.09116	27.4
337.10675	1.0
348.10233	0.8
349.10681	23.1
350.11414	28.7
351.08636	16.2
351.12610	1.0
353.14001	0.9
363.25272	3.6
366.10953	12.5
381.13358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1442
Annotation	Decarbomethoxykopsifine
Peak:m/z	Relative Intensity
50.91514	0.4
58.06596	2.0
111.44221	0.4
162.27509	0.4
280.08429	7.5
295.07513	0.8
295.10773	15.7
309.12292	0.4
311.92371	0.4
337.11914	0.8
338.12781	0.8
352.35831	0.4
365.11523	2.3
366.12082	25.5
381.14453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71672	0.4
56.76788	0.5
70.06596	100.0
71.93299	0.4
75.68227	0.4
80.65112	0.5
81.03419	0.5
84.08139	0.6
85.02903	0.6
85.06551	1.0
85.61443	0.5
97.02847	0.6
99.04465	8.5
117.05563	0.9
120.08111	0.7
121.06503	1.1
122.06009	0.8
132.04480	2.2
148.11241	3.1
149.11041	0.5
149.74811	0.5
150.05496	0.8
152.74539	0.5
166.08630	0.6
168.63475	0.5
176.10808	0.6
219.08369	0.7
297.14597	0.9
363.14670	0.8
381.12241	0.8
381.16614	15.4
381.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40635	0.8
58.67318	0.8
58.78554	0.8
61.02952	0.7
65.03973	0.8
65.22167	0.9
69.03436	4.2
70.06567	0.8
71.04993	11.7
73.86480	0.8
77.27195	0.9
81.03413	5.4
83.04989	1.5
85.02901	11.4
89.06023	100.0
92.21543	1.1
97.02879	16.4
99.04463	5.6
109.02882	5.0
111.04430	1.3
119.04954	1.2
121.06490	0.9
127.03939	6.4
127.16984	1.0
129.05434	1.3
135.06506	15.6
142.48154	0.9
145.04979	7.0
147.04404	10.8
152.96304	1.5
197.08264	1.4
211.09702	1.1
215.09171	1.1
218.97334	2.0
234.99030	1.1
243.08745	1.0
247.11617	1.0
260.98532	1.4
261.09619	4.2
263.12936	1.0
271.00607	1.5
279.10950	2.1
321.08685	6.2
322.09714	1.1
345.15417	1.4
363.01730	1.8
381.02963	7.4
381.11246	15.4
381.15558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05517	0.7
60.54455	0.8
69.03433	3.8
70.06575	1.1
71.04977	0.9
74.06058	0.9
81.03439	8.5
85.02924	7.1
85.06545	3.8
85.41656	0.8
86.06063	1.1
97.02898	5.0
99.04458	100.0
101.82989	1.0
103.07589	5.5
109.02866	1.7
115.03970	1.0
117.05486	12.6
121.06504	3.9
122.06844	1.1
127.03949	1.8
137.35310	0.9
145.04930	1.6
160.37971	0.9
181.50900	0.9
243.08672	1.3
259.08044	3.0
261.09625	5.9
381.07608	3.6
381.12125	6.7
381.17322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22906	0.5
53.03950	3.5
57.07056	0.5
67.05505	0.7
69.03426	3.2
70.06587	0.6
71.04987	1.1
81.03436	9.1
83.04985	0.7
85.02905	6.6
85.06551	8.0
86.84856	0.5
97.02885	4.0
99.04460	100.0
103.07595	4.3
109.02876	1.3
117.05482	10.2
121.06503	4.1
121.08614	5.0
122.06908	1.3
127.03909	3.5
139.09775	2.7
144.08080	0.9
145.04939	0.9
167.09335	2.4
176.13179	0.6
243.08572	0.8
259.08374	0.6
261.07138	0.6
261.09583	4.5
381.17047	4.8
382.75363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
53.24131	0.9
63.77219	0.9
81.03426	5.8
85.02907	8.7
85.06549	30.4
97.02902	1.4
99.04458	100.0
99.99263	1.0
100.35105	1.0
103.07589	1.9
117.05492	15.0
117.40581	1.1
121.08641	4.7
123.08066	1.1
127.03928	2.0
138.93164	1.1
179.72002	1.0
204.16055	1.1
206.18311	1.2
211.24345	1.1
215.97470	1.3
217.19661	1.0
220.51929	1.2
261.09714	5.5
363.16577	1.1
390.73907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
53.86138	0.4
57.07086	0.6
57.45718	0.4
59.33733	0.4
69.03417	2.0
71.04976	0.7
78.07427	0.4
81.03427	7.6
85.02896	5.8
85.06545	31.2
97.02889	3.4
99.04456	100.0
101.06012	0.8
101.30254	0.4
103.07585	2.1
104.33244	0.5
109.02881	1.2
117.05489	13.0
120.26952	0.6
121.06539	1.0
121.08625	3.0
127.03911	2.1
138.06346	0.8
145.04871	0.9
188.33904	0.6
243.08629	0.9
261.09668	7.1
336.98068	0.5
381.07855	0.9
381.17191	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93092	0.8
57.03463	0.8
67.21956	1.0
67.57814	0.8
69.03423	4.2
71.05003	14.3
81.03425	4.1
85.02908	12.4
89.06038	100.0
97.02911	13.7
99.04450	6.8
109.02889	4.1
113.06038	2.6
117.05564	1.0
121.06499	13.0
122.06824	10.0
127.03923	7.1
131.95624	1.1
135.06552	11.9
145.04965	5.6
152.00996	0.9
169.08557	1.1
192.55432	1.1
207.06580	1.4
261.09851	1.6
273.55780	1.2
363.16321	2.2
381.17099	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02777	0.5
55.36522	0.5
57.03459	0.6
57.94910	0.5
61.02941	0.6
63.27619	0.5
68.44030	0.5
69.03425	5.8
71.04995	12.9
81.03432	3.4
83.04968	0.8
85.02903	8.7
85.06548	0.8
89.06036	100.0
96.48799	0.6
97.02897	15.9
97.06525	0.7
99.04488	4.3
109.02894	5.4
111.04430	1.1
117.05461	0.6
121.06480	0.8
124.03867	0.7
127.03928	8.2
135.06520	12.8
145.04987	5.5
158.36110	0.6
188.63370	0.7
193.08669	2.3
197.08147	0.7
203.36433	0.6
211.09731	0.6
215.09198	0.9
226.26152	0.6
233.10197	0.7
247.11635	1.2
261.09604	4.3
301.12793	1.3
349.48468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2059
Annotation	Tokinolide B
Peak:m/z	Relative Intensity
55.05513	1.0
60.31649	0.7
62.00504	0.6
67.05501	1.0
69.07071	3.1
72.08143	1.5
79.05514	6.8
81.07065	100.0
85.23656	0.6
95.08575	0.7
100.82349	0.6
107.08632	0.7
109.10193	0.9
121.10146	1.5
133.10098	1.1
137.65912	0.7
161.13272	0.9
171.08000	1.1
185.09628	5.8
187.07492	1.3
189.09169	0.8
199.07527	4.4
199.11252	0.8
199.14729	0.7
204.45607	0.8
213.09074	6.2
227.07072	3.6
227.10721	3.7
227.14400	1.7
228.07758	0.7
229.08708	1.1
237.12775	1.2
239.10629	0.9
240.11435	0.8
241.08499	6.4
241.12189	1.3
255.13780	31.3
259.09671	1.2
265.12204	1.4
273.14810	16.2
279.13815	0.8
283.13290	19.4
292.14569	0.7
293.15436	0.8
299.12802	0.9
301.14304	15.7
307.20544	1.3
335.20108	10.8
353.21210	3.0
363.19263	1.0
381.20596	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.206
Annotation	Tokinolide B
Peak:m/z	Relative Intensity
52.49690	1.6
61.02896	1.7
66.97685	1.6
69.07050	4.3
72.08174	2.1
79.05500	4.0
81.07064	94.7
90.94659	1.7
95.08623	2.5
99.09782	1.7
109.10132	2.5
111.52212	1.7
118.98711	1.8
152.93150	2.0
185.09604	3.5
191.83066	1.8
196.77090	1.8
199.07635	2.5
213.09166	3.5
220.97887	2.3
227.07043	2.4
241.08566	4.2
244.35049	1.9
255.13777	27.3
273.14856	18.7
283.13287	17.6
293.18399	1.9
301.14352	10.2
335.20090	10.5
381.20575	100.0
388.65137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2058
Annotation	Levistilide A
Peak:m/z	Relative Intensity
55.05511	2.7
57.07086	2.7
58.85911	1.6
62.88486	1.7
67.05503	4.1
69.07076	4.3
71.97899	1.8
81.07050	4.4
83.08627	3.3
91.05490	2.8
93.07068	3.2
93.26922	1.8
95.04981	2.0
95.07452	1.6
95.08631	8.3
97.06475	1.8
105.07032	3.6
107.08628	7.3
109.10153	12.0
113.69708	1.9
121.10163	4.8
128.25035	2.4
129.00565	2.1
133.10240	2.7
135.08009	2.5
137.05984	4.6
157.10199	3.7
159.11542	2.7
164.37151	2.4
173.06023	3.6
185.09682	5.0
193.12241	2.4
197.09747	2.5
201.09180	2.1
203.10692	3.7
205.11876	2.0
209.09633	3.1
213.09149	4.9
215.10733	8.1
220.37082	2.1
223.11166	2.4
225.09253	2.5
227.10628	11.5
231.10281	3.5
241.08539	4.8
241.12207	3.7
253.12320	14.3
255.10184	2.4
255.13641	2.3
259.07101	2.5
259.09668	63.8
261.18610	7.6
265.12277	3.1
267.13840	3.2
271.13333	3.3
279.13855	3.9
281.11761	3.6
285.11389	3.1
293.15302	3.8
295.13297	2.5
299.12729	16.2
313.14078	2.3
335.19965	22.0
353.21060	14.4
363.19501	11.0
363.25269	2.6
381.12289	2.3
381.20636	100.0
381.25797	4.7
381.34717	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	21-Hydroxygalbonolide B
Peak:m/z	Relative Intensity
51.69170	1.2
53.03949	1.6
54.55701	1.4
55.01868	3.7
55.05525	20.0
56.96851	1.3
57.03442	33.2
59.50631	1.4
67.05511	34.4
69.07055	3.3
70.06599	2.7
75.69968	1.5
79.05503	27.9
81.03428	3.4
81.07053	21.8
83.04975	7.4
83.08629	8.3
91.05476	22.2
93.07059	34.1
95.04979	20.5
95.08613	16.3
97.06537	7.6
97.10162	15.4
99.04422	3.3
99.08077	2.4
105.07035	13.9
107.04966	26.0
107.08580	19.5
109.06528	11.6
109.10167	16.7
111.08065	3.2
117.06997	9.8
119.04936	3.0
119.08622	14.9
119.09344	1.7
120.04308	1.5
121.02852	1.9
121.06497	25.6
121.10126	7.9
123.08073	6.0
125.06000	1.9
125.09633	10.1
129.07005	9.7
131.04962	3.4
131.08568	10.6
133.06496	10.7
133.10123	7.4
135.08054	31.7
135.11685	1.8
137.09648	8.1
143.08559	8.3
143.87396	1.7
145.06482	3.7
145.10127	9.2
147.08043	9.1
147.11676	4.0
149.09668	5.7
151.07555	2.6
153.09108	9.4
155.08603	2.5
157.10127	2.8
159.08026	27.8
159.11638	3.1
160.08865	1.9
161.09634	7.7
161.13255	2.2
163.07512	13.3
165.12775	4.1
171.11638	2.4
173.09560	5.7
175.11189	3.5
177.09106	4.1
177.52800	2.0
187.11215	2.4
187.14703	3.5
189.12715	2.9
195.11624	1.8
199.11192	3.4
201.27069	1.9
207.13797	3.1
209.11780	1.8
215.14313	3.2
233.15292	15.7
243.17387	1.9
245.13593	2.3
253.15955	2.5
271.16931	28.4
281.22116	2.9
289.17978	62.1
298.45874	2.0
301.09116	1.7
309.16919	1.7
319.15411	1.8
333.13190	3.4
336.12317	4.0
337.12756	6.2
347.14554	9.2
348.15335	10.5
350.13870	2.4
351.14096	18.4
363.21634	100.0
363.26224	3.4
365.15787	3.5
366.16467	4.1
381.10754	3.3
381.18832	44.9
381.23029	13.9
381.31290	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05513	21.2
57.07100	15.7
60.27249	3.5
61.57743	4.2
67.05511	57.4
69.07065	29.1
70.46214	3.8
73.08365	5.1
79.05509	42.0
81.07055	72.2
83.05002	4.5
83.06104	21.0
83.08625	20.8
85.06548	100.0
86.25110	4.3
90.71091	3.6
91.05474	31.3
93.07040	55.5
95.04980	35.6
95.08605	66.3
97.06528	8.3
105.07019	64.5
107.08588	66.0
109.06503	24.8
109.10160	73.9
111.08084	17.3
117.06993	9.5
119.08580	85.0
121.06486	7.8
121.10132	39.6
123.08082	7.8
123.11732	7.8
123.83280	4.1
125.09653	20.5
131.08589	44.6
133.06494	9.6
133.10136	62.6
135.08070	43.7
135.11652	36.7
137.09633	20.4
142.07828	7.0
143.08551	36.3
145.06479	4.5
145.10133	80.3
146.07263	6.0
147.08081	10.2
147.11670	40.8
149.01158	6.4
149.09642	7.9
149.13332	5.0
151.11174	6.4
155.08540	8.7
156.03638	5.4
156.09363	9.0
157.10129	38.7
158.10921	8.7
159.08031	9.7
159.11696	40.7
161.09621	51.2
161.13287	18.5
163.11234	7.0
167.08578	4.4
169.10124	17.9
170.10954	7.6
171.11702	26.2
173.09581	25.8
173.13248	40.2
175.11153	8.1
183.11736	19.6
185.13252	17.1
187.11176	6.8
187.14850	10.4
195.11705	17.1
197.13283	20.9
199.11203	6.3
199.14819	10.1
201.12709	21.9
203.14302	8.4
209.13298	20.7
211.14752	8.1
213.12709	6.3
215.10794	7.0
225.16360	7.1
227.14301	18.7
239.14417	6.1
253.15662	8.4
271.16965	9.7
279.17615	9.9
279.23193	8.3
347.29260	9.1
360.68106	49.4
363.23276	23.5
364.32068	25.4
381.24063	75.9
381.31027	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2633
Annotation	Membrenone A
Peak:m/z	Relative Intensity
55.05517	1.1
57.06824	1.0
57.07081	13.7
58.56514	0.7
67.05524	1.4
69.07072	5.8
79.05508	1.0
81.07053	1.7
83.08616	1.1
85.06548	6.8
92.21535	1.1
93.07051	1.8
95.08612	3.3
97.06540	1.5
107.08592	3.1
109.06538	2.9
109.10133	1.7
122.48961	0.8
123.08080	3.9
135.11697	4.1
153.12720	2.7
165.12767	1.5
181.12221	6.1
193.12230	1.1
210.12465	5.7
233.18973	3.1
241.83516	0.8
249.18500	1.1
261.18521	4.8
277.18121	3.3
279.19482	6.0
335.25821	1.4
345.24255	1.7
363.25351	13.3
367.96216	0.9
381.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2633
Annotation	Aphidicolin-17-monoacetate
Peak:m/z	Relative Intensity
55.05500	3.3
57.67598	1.7
59.28923	1.6
66.99700	2.1
67.05508	8.5
69.07056	4.3
71.08630	11.3
73.24767	1.9
77.70686	1.9
79.05507	2.3
81.07051	9.7
85.06536	2.6
91.05492	3.4
93.07043	11.2
94.78002	2.2
95.04982	2.2
95.08606	10.5
97.06550	2.9
99.08123	4.2
105.07027	2.7
107.08601	4.7
109.06519	21.0
109.10161	2.7
109.37663	2.0
119.08592	3.4
121.06519	9.4
121.10148	2.8
131.08578	2.9
133.10100	2.8
135.08096	3.6
162.72636	1.8
163.11198	12.1
165.12740	75.8
173.13263	2.8
177.12724	4.1
191.14313	21.7
202.88766	2.5
233.15356	3.6
261.22226	9.4
271.20563	3.2
289.21600	46.3
307.22659	3.5
363.25375	11.8
365.49435	2.2
381.26321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2632
Annotation	Aphidicolin-17-monoacetate
Peak:m/z	Relative Intensity
54.90224	2.8
55.05512	3.8
58.41403	2.5
69.07059	7.1
71.08629	4.3
72.03283	2.8
73.17210	2.8
81.07045	16.5
83.08642	5.2
84.42673	3.0
93.07034	18.5
95.08607	16.2
97.06565	4.8
107.08600	13.3
109.06523	13.7
109.10133	4.9
116.74976	2.8
119.08583	6.6
121.06512	7.2
121.10130	6.2
127.17918	3.2
131.08542	5.5
135.08090	4.0
136.36038	3.1
141.09004	2.9
145.10107	4.4
159.11650	3.9
163.11168	6.4
165.12738	84.3
179.14085	3.4
183.11719	3.6
191.14305	22.5
196.07018	3.4
261.22110	4.5
289.21616	45.7
301.14334	3.9
307.22589	4.5
363.25153	15.7
381.21182	12.5
381.26297	100.0
381.31082	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10245	1.5
51.93851	1.4
53.50041	1.3
55.05521	2.5
55.60450	1.4
57.03428	1.4
61.77205	1.8
67.05502	9.3
69.07061	4.0
74.79399	1.5
79.05495	2.1
81.07048	8.8
83.05006	1.9
83.08601	1.7
93.07018	6.8
94.86195	1.6
95.08614	7.4
97.06538	2.5
102.69160	1.7
105.07059	2.8
107.04983	2.2
107.08596	6.5
109.10149	7.2
111.08024	1.7
117.07004	2.8
119.08530	3.3
121.10133	9.5
129.06979	3.1
131.08554	7.4
133.10114	3.4
135.08075	1.9
135.11697	4.1
139.07425	1.9
145.10078	2.9
159.11671	3.1
161.09619	3.7
161.13136	2.4
163.11128	2.0
171.11653	3.2
173.13245	3.0
179.10628	2.0
189.16389	1.7
231.75421	1.7
240.83278	1.7
255.21037	3.4
265.19275	1.9
272.23737	4.2
273.22058	7.8
282.22064	2.2
283.20560	12.5
292.09183	11.7
300.23303	16.8
301.21597	49.9
306.07495	4.1
307.07974	20.9
311.19995	7.1
318.07227	2.4
318.24210	9.1
319.07932	3.8
319.22745	12.4
322.10251	10.7
324.08102	4.1
329.21030	24.3
334.07007	7.6
335.07367	37.5
336.12048	2.1
347.22153	8.8
349.09363	7.5
350.09772	79.8
364.24796	98.9
381.11569	100.0
381.22583	3.5
381.27438	91.3
381.32196	3.4
384.38419	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31987	1.8
53.45968	1.6
55.05520	3.3
56.05035	2.3
57.07071	1.9
59.04155	1.4
59.05890	2.1
59.06133	33.5
60.04520	10.0
67.05499	7.2
69.07076	17.7
79.05480	1.8
79.42281	1.8
81.07062	13.0
83.06084	3.8
83.08604	12.5
89.84322	1.7
95.08588	10.8
97.10152	7.4
101.07146	18.3
105.07026	1.7
107.08527	3.0
109.10143	4.1
119.08565	2.6
121.10109	3.7
133.10138	4.1
135.11656	3.2
147.11682	2.4
182.15392	4.6
209.20093	7.5
212.16241	1.8
282.65417	2.1
321.25235	8.8
321.28845	3.1
339.26230	8.6
339.29959	8.2
351.30139	4.2
363.29953	11.5
381.27255	11.2
381.31073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60892	0.8
55.05517	6.3
57.03441	1.5
57.99568	1.0
65.74837	1.0
67.05512	25.3
69.07062	12.0
71.05005	1.7
71.08642	1.5
79.05502	12.0
81.06614	2.2
81.07065	39.4
83.08611	11.2
91.05479	9.4
93.07045	23.0
95.04948	1.4
95.08008	1.1
95.08609	34.1
97.06548	2.2
97.10178	5.9
105.07033	16.5
107.04896	1.2
107.08595	25.1
109.06533	2.0
109.10154	18.7
117.07025	5.3
119.08572	16.4
121.06472	1.5
121.10139	22.0
123.08094	4.3
123.11721	2.4
125.09594	1.5
129.06981	1.7
131.08560	16.1
133.10147	15.0
135.08101	1.2
135.11696	17.9
137.09628	2.2
138.04430	1.0
139.11169	1.5
143.08588	5.0
145.10124	18.5
147.08043	1.7
147.11699	10.3
149.09634	5.4
149.13268	9.9
151.11240	1.4
157.10117	4.4
159.11702	12.0
161.13268	7.8
163.11159	2.5
163.14804	1.3
169.10062	1.2
171.11687	6.4
173.13260	8.0
175.11229	1.3
175.14828	2.5
177.12758	1.4
177.16223	1.2
182.15475	1.1
183.11760	1.6
185.13312	9.4
187.14862	5.0
187.28793	1.1
189.12819	2.2
199.14870	5.4
203.14326	2.5
210.18549	2.1
211.14804	1.5
213.16405	1.4
214.23178	1.1
217.15918	2.1
220.16910	1.1
231.17334	1.4
233.19009	1.3
248.20009	1.7
249.18504	1.2
259.20529	1.4
289.21567	1.4
293.22833	1.1
301.25229	2.4
311.23642	11.4
319.26437	2.0
328.26364	21.9
329.24756	28.3
345.24228	1.3
346.27405	35.1
347.25912	12.4
363.30112	5.6
364.28464	29.8
381.12152	1.8
381.26956	3.9
381.31125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.311
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41822	8.1
67.05499	35.2
79.05505	11.7
81.07063	35.3
82.67539	7.0
90.62753	7.3
93.07043	44.8
95.08607	36.8
97.06494	7.5
107.08600	13.4
109.10179	10.0
119.08582	8.9
121.10165	41.9
131.08601	10.6
135.11630	33.1
145.10147	17.5
147.51723	9.1
159.11684	10.8
163.11282	8.0
173.13254	11.3
186.43028	7.9
207.62599	8.3
237.73621	9.0
311.23718	10.0
329.24701	55.9
346.27350	35.0
364.28598	16.5
381.31268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.8
57.23390	2.7
67.05515	28.6
69.07077	11.9
71.04963	3.3
79.05487	18.6
81.07063	46.0
83.08619	12.1
91.05492	14.5
91.06327	3.2
93.07059	31.0
95.08598	34.2
97.10168	5.1
105.07034	20.5
107.08596	23.0
109.06507	3.6
109.10146	22.0
117.06986	6.1
119.08569	25.0
121.06507	3.4
121.10166	24.2
131.08575	13.3
133.10138	22.1
135.08113	11.8
135.11717	15.3
137.09651	3.7
141.72430	3.1
143.08560	3.8
145.10094	20.7
147.11720	13.9
149.13274	4.1
157.10147	3.8
159.11716	12.6
163.11145	3.3
165.12735	3.4
171.11719	4.9
173.13293	13.3
175.14842	4.7
181.12169	3.4
183.11699	3.6
185.13245	4.6
187.14906	4.8
189.12653	4.0
199.14948	4.3
216.95859	3.4
289.21399	4.3
311.23721	12.5
328.26257	13.8
329.24771	28.9
346.27475	31.5
347.25854	15.4
363.29807	4.3
364.28415	20.9
381.26611	15.1
381.31134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.8
57.03420	1.9
57.07082	15.6
61.17123	1.6
62.06086	2.4
67.05177	3.1
67.05508	43.3
69.03416	3.2
69.07076	25.9
71.04999	3.6
79.05496	22.1
81.07061	65.5
81.84103	2.1
83.04974	3.3
83.06111	20.3
83.08633	20.4
85.06544	100.0
91.05473	12.4
93.07045	41.5
95.04978	11.1
95.08606	76.1
97.06512	11.9
97.10162	12.1
105.07037	38.2
107.08605	37.6
109.06506	13.0
109.10161	52.8
111.08066	5.3
117.07000	10.2
119.08583	27.5
121.06509	3.6
121.10137	40.5
122.10484	2.3
123.11674	15.3
125.09627	4.8
129.06953	3.1
131.00171	2.5
131.08592	18.8
133.10139	27.9
135.08049	13.0
135.11703	37.1
137.09645	4.5
137.13246	2.5
143.08557	11.5
145.10117	23.0
147.08011	3.9
147.11659	21.1
149.01210	4.3
149.09605	3.1
149.13252	11.3
150.46684	2.1
151.11168	3.8
156.03694	3.6
157.10117	12.6
159.08011	2.9
159.11674	11.5
161.09621	13.8
161.13240	14.1
163.14801	3.0
169.10152	7.9
171.11662	10.6
173.09613	4.5
173.13258	12.7
183.11700	3.0
185.09547	2.4
185.13266	5.3
187.14732	2.3
187.62135	2.2
189.12674	2.3
195.11766	3.4
201.12918	4.2
208.12323	2.2
209.13155	3.0
211.14778	4.1
215.14209	2.2
215.17894	2.9
225.16631	2.7
233.57124	2.3
261.22064	3.4
279.23029	14.8
293.05606	2.5
329.28400	3.6
331.77719	2.8
346.31033	8.3
347.29410	26.4
360.68054	36.8
361.17868	7.6
363.29507	2.8
364.27805	4.2
364.32095	67.3
381.24365	13.4
381.30695	29.7
381.34821	38.2
401.22900	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64008	4.5
57.45817	5.7
64.31002	6.1
67.05502	8.1
67.32005	5.6
81.07066	26.1
83.08584	7.6
93.07039	7.9
95.08614	8.6
97.50353	5.4
102.05537	5.7
105.07056	6.9
107.08594	10.1
109.10121	11.4
129.07423	7.0
133.10158	8.4
147.11705	35.6
161.13257	27.6
169.40193	5.6
169.50919	6.7
223.94113	5.9
381.35095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.6
50.78901	1.5
51.02398	6.5
51.02620	1.7
55.81002	1.6
65.03956	2.1
67.29518	1.7
69.03430	2.8
71.02254	1.7
77.03943	3.8
86.06062	4.6
86.09702	11.0
87.04458	11.7
87.35960	2.1
88.34439	1.8
91.05486	2.8
93.18097	2.2
95.04930	3.4
96.04472	2.4
97.02907	3.2
98.06046	6.8
99.04463	2.1
104.04343	1.9
104.07103	10.4
131.01631	44.5
132.10185	4.3
164.07047	2.8
174.05785	3.7
176.07040	2.2
182.08119	3.0
194.08176	12.0
203.03865	6.2
212.09140	7.0
220.06329	3.3
232.06496	2.1
298.07446	3.5
340.63882	2.5
346.09384	3.2
346.14899	7.3
364.10571	28.2
364.16010	14.9
366.36896	1.8
382.08932	100.0
382.16949	16.3
392.92163	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94730	2.2
69.92424	2.4
72.46881	2.3
72.78433	2.4
80.37699	2.0
82.05716	2.1
91.29884	2.1
100.26563	2.5
140.85799	2.4
152.09346	2.5
182.83714	2.7
190.04956	5.3
193.04968	3.4
195.91238	2.5
202.04970	5.3
210.18898	2.2
222.13776	2.7
245.79182	2.4
268.41092	2.9
305.06906	4.0
306.07593	44.4
320.09180	17.3
334.07071	100.0
340.54504	13.0
349.09402	98.3
364.08093	17.8
382.09137	12.8
382.29196	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0917
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
55.88837	0.4
57.07035	0.4
59.00682	0.4
60.88475	0.4
105.32079	0.5
131.00142	0.5
146.31171	0.4
165.05482	6.0
172.03903	3.2
190.04988	43.4
218.04385	2.9
235.06253	1.1
247.06076	0.5
248.07057	0.6
263.05783	3.4
264.06494	4.1
265.07193	1.1
276.06467	2.1
277.07303	0.9
280.06158	0.7
280.12616	0.5
289.07422	0.8
290.08124	5.3
291.05411	0.5
291.08801	0.7
292.06064	8.8
292.09262	0.8
293.06818	5.1
303.05240	7.2
304.05905	0.9
305.06741	1.1
306.07428	0.8
308.05350	1.1
318.07608	8.9
320.05527	17.6
320.09122	1.0
321.06290	3.9
331.04858	3.3
335.07703	0.8
336.08548	0.7
346.06961	5.1
347.07663	0.6
348.05090	4.6
349.05826	15.1
350.06610	0.8
361.18781	0.9
361.69150	2.0
364.08124	100.0
382.09195	60.9
400.70480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0921
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
54.04963	1.4
54.70650	1.1
57.15058	1.3
92.20992	1.7
116.04981	1.7
134.06047	1.7
135.76143	1.7
143.03423	1.5
144.04419	1.4
147.04420	2.2
149.02370	3.0
160.03957	1.3
170.40157	1.4
174.05521	33.4
193.04973	8.6
207.02904	1.6
215.54074	1.4
276.06540	56.4
280.05984	6.3
292.06128	3.1
293.06918	1.7
294.07599	3.0
306.07693	3.1
308.05582	1.8
321.06210	1.7
322.07117	20.1
323.07925	6.1
336.71725	1.7
350.06619	62.3
350.11035	2.2
351.07416	11.7
364.07935	2.5
382.09180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.092
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
52.73095	1.0
52.82217	1.0
53.76455	1.1
53.80526	0.8
61.76988	1.0
67.05502	2.0
73.77391	1.1
83.62003	1.1
91.05493	4.6
93.07040	1.6
95.04990	1.7
95.08591	1.2
102.04692	1.7
109.10147	1.3
117.03275	1.1
121.06512	1.1
131.08524	1.2
136.06195	1.4
144.04456	1.3
147.04422	21.6
149.06013	1.4
164.41299	1.1
165.05493	1.9
172.03914	2.4
174.05545	14.5
175.03900	44.6
190.04996	40.6
193.04965	6.3
218.04533	2.2
218.56677	1.1
220.06053	1.8
243.48804	1.3
263.05807	2.2
264.06696	2.0
280.06042	1.5
281.06934	1.8
291.05261	1.4
292.06055	10.2
293.06732	2.1
296.09247	8.1
306.07471	2.0
308.09149	27.2
318.07581	2.0
319.04321	1.3
320.05426	5.7
320.08865	1.5
321.06259	8.6
322.06952	5.1
324.08649	11.0
333.06198	4.8
334.07062	11.9
336.08643	17.2
337.06949	1.9
349.05811	4.4
349.09482	2.7
352.11673	1.7
354.09686	29.1
364.08154	100.0
382.09213	55.1
382.16589	3.6
382.27316	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0921
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
50.71909	1.6
50.94344	1.5
60.79982	2.2
63.73749	1.7
67.82681	1.7
75.39896	2.1
82.13135	1.8
110.28701	2.0
114.54082	1.8
153.04076	2.0
161.49342	1.7
165.05467	4.5
172.03969	4.5
175.03949	4.4
190.04993	62.2
263.05804	3.6
264.06644	3.8
289.63788	2.2
292.06070	4.8
296.18875	1.9
303.05020	5.7
305.06851	4.7
306.07663	4.0
318.07614	10.0
320.05493	15.8
320.09113	7.1
321.06308	9.3
331.04883	3.8
337.09650	3.1
346.07040	9.6
349.05756	11.8
350.06482	11.8
352.07715	2.2
364.08173	100.0
382.09009	87.8
382.13098	13.7
382.23187	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22366	0.7
61.02127	0.8
79.38281	0.8
87.25748	0.8
99.40371	0.9
100.59074	0.7
129.13434	0.9
149.02309	5.5
171.83424	0.9
183.29021	1.0
188.07042	27.5
206.04819	2.8
206.08131	100.0
215.93343	1.1
234.07568	5.9
249.88077	0.9
279.05142	1.2
292.05957	1.3
303.05255	1.1
306.14450	0.9
308.09332	1.2
320.05524	22.4
321.06299	1.2
322.06970	6.4
338.10150	4.1
339.11087	1.3
348.04889	4.7
349.05917	3.5
350.06531	5.8
352.08081	5.4
354.13269	5.4
364.08154	91.8
366.10019	1.3
367.10455	1.5
382.09027	78.0
382.12991	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91067	0.2
80.13185	0.4
95.80776	0.3
97.06693	0.3
120.11638	0.3
124.73368	0.3
126.55260	0.3
139.42825	0.3
169.78937	0.3
172.03902	6.4
190.04984	84.6
218.04465	12.1
223.06273	0.5
251.05675	1.3
279.05289	2.5
291.21323	0.3
292.06229	0.5
306.07440	0.4
307.04721	29.0
321.06247	0.6
322.07132	2.4
335.04211	20.2
349.05908	0.6
350.06564	100.0
364.08096	2.0
369.16959	0.4
382.09171	50.9
406.29279	0.4
407.89523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0919
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
51.82436	1.0
62.43700	1.0
65.56332	1.1
79.30919	0.9
84.91077	1.1
87.66970	1.0
144.76988	1.0
157.44821	1.3
168.46725	1.3
172.03947	6.9
190.05009	64.8
216.60852	1.2
218.04482	9.7
262.90268	1.2
263.05829	4.7
278.08102	1.8
279.05237	2.4
291.05258	11.1
292.06253	2.0
304.06198	5.1
306.07596	11.1
307.04745	40.6
307.08417	1.9
318.08105	1.8
320.05725	3.8
322.07199	6.5
324.09088	1.5
332.05539	15.4
335.04291	29.7
335.08173	2.7
336.08929	7.4
348.05304	1.6
349.05765	1.7
350.06604	100.0
350.10590	5.2
351.11734	4.4
352.08469	4.7
364.04190	2.3
364.08142	25.8
366.09790	1.8
367.11157	1.9
382.09155	62.1
382.13315	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0911
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
54.04572	0.7
58.94899	0.8
113.99490	0.8
123.56296	0.9
124.68105	0.8
165.05449	7.7
172.03885	4.4
190.03322	1.6
190.04961	39.2
190.06689	1.8
204.76819	0.9
218.04424	3.7
263.05731	4.2
264.06448	4.5
265.07236	1.7
277.07111	1.4
277.61435	0.9
280.71097	0.9
290.08139	3.2
292.06027	8.0
293.06729	6.4
303.05255	8.6
305.06766	1.6
317.57385	1.0
318.07480	8.3
319.04709	1.5
320.05478	15.9
321.06216	4.2
324.08194	0.8
329.06842	0.9
331.04565	4.2
336.08572	3.2
338.10245	1.3
346.06870	5.5
348.04773	5.3
349.05722	15.1
364.08060	100.0
367.10297	1.2
382.08997	56.2
382.12766	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39114	1.3
81.07051	1.7
133.02821	2.0
147.17995	1.3
148.03922	1.5
154.98071	1.5
162.03101	11.4
163.03891	2.3
190.04976	2.1
192.06548	100.0
206.39833	1.9
220.06038	12.2
250.01465	2.1
253.09053	7.2
268.02542	10.2
295.06387	2.8
311.58401	1.7
313.07410	23.9
323.05917	21.0
341.06995	44.0
344.33926	1.5
359.08051	35.7
364.08322	12.5
377.08908	11.0
382.09088	33.5
382.13132	3.2
382.29242	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
52.50467	0.3
53.03953	0.5
55.01850	0.4
56.96570	0.5
57.07067	0.5
58.06581	0.5
59.66557	0.3
62.17378	0.3
64.47437	0.3
69.03417	1.8
71.04983	0.4
73.02906	0.5
79.05516	0.5
81.03404	2.6
82.55596	0.4
85.02924	3.1
91.05466	2.2
97.02877	1.9
98.97573	2.0
99.04462	11.3
100.04774	1.5
101.04878	0.5
105.07042	0.5
109.02884	0.5
119.04954	8.0
121.06496	0.5
127.03916	0.6
147.04407	100.0
150.02615	0.6
158.99667	0.9
159.03204	3.8
161.04665	0.8
167.86938	0.4
168.03592	2.2
173.01236	0.6
177.00740	0.6
177.04320	2.2
182.99695	0.5
189.12961	0.4
197.01302	0.5
201.04350	1.0
201.05984	3.4
210.06520	2.5
219.01817	2.4
219.05399	0.5
237.02882	2.0
321.08646	2.3
331.10541	0.7
335.93518	0.4
382.13855	27.6
382.18372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12146	0.9
53.60493	1.0
54.01440	1.1
54.02977	1.1
59.34612	1.0
59.90679	1.1
79.87798	1.3
86.44463	1.1
87.21441	1.0
87.63400	1.3
134.74382	1.3
165.05475	6.7
172.03896	1.5
190.04985	36.7
218.04480	2.4
230.12656	1.2
232.14442	1.7
250.15569	2.5
262.08749	1.2
263.05670	1.6
263.09634	1.2
264.06509	2.5
277.07443	1.8
290.08130	1.6
292.06033	6.6
292.09470	2.6
293.06796	2.6
295.14026	1.2
303.05304	6.0
305.06467	1.5
306.07498	15.3
308.05484	2.3
318.07584	8.0
320.05618	13.6
320.08768	2.0
321.06458	3.8
321.09918	8.7
324.08713	10.1
331.04752	2.6
334.07074	6.7
338.10236	39.7
346.06851	2.7
348.04852	2.4
349.05963	9.2
349.09454	4.1
350.10217	15.2
352.08157	87.0
364.08130	77.2
366.09747	2.5
367.10489	37.4
382.08936	32.9
382.12848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1283
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
50.72430	0.5
52.66985	0.5
58.06595	1.3
72.07270	0.5
73.96606	0.6
78.19626	0.5
85.31654	0.6
98.54795	0.5
121.06473	2.7
126.27667	0.5
147.04385	1.0
162.05463	0.6
183.29095	0.6
234.82307	0.6
292.09579	0.7
294.11258	4.1
297.63226	0.7
308.09042	3.6
319.08005	0.8
320.09045	4.1
321.09747	4.2
322.07037	4.7
322.10712	6.9
323.11414	5.0
324.12369	1.0
334.10748	1.2
336.08664	100.0
337.09674	1.8
338.10175	2.7
338.13974	2.7
348.08392	1.9
349.09412	2.4
350.13782	1.1
351.10895	3.4
352.07913	0.9
352.11829	4.1
364.07919	0.8
364.11798	7.0
366.09589	3.8
366.13553	0.9
367.10361	5.2
367.14169	1.3
374.39743	0.9
382.12732	92.5
382.16263	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1283
Annotation	6-Oxocorynoline
Peak:m/z	Relative Intensity
50.17588	0.3
52.94911	0.3
59.37123	0.3
69.86726	0.4
71.47831	0.4
78.09937	0.4
223.77357	0.4
241.11034	0.7
281.10416	0.5
290.12039	0.5
292.09680	3.3
293.10461	0.6
305.73804	0.4
306.07648	1.4
320.09158	16.4
321.09940	5.8
323.11606	0.8
332.09024	2.6
334.07047	5.1
336.12421	2.2
339.11099	4.0
348.08670	14.1
349.09427	32.1
364.11774	100.0
367.10376	0.9
382.12848	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.128
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
52.68329	0.6
58.59380	0.6
71.17036	0.6
83.77146	0.7
89.50235	0.6
94.78165	0.6
134.77197	0.7
175.07483	1.0
176.06952	1.0
190.04922	1.4
258.77570	0.7
306.07684	1.1
307.04758	3.4
310.10645	1.4
321.09891	0.9
322.07108	3.3
324.08609	8.6
334.07172	0.8
335.04074	1.4
336.08612	3.1
338.10193	10.8
349.09528	0.9
350.06595	16.6
350.10422	1.5
351.11185	1.2
352.08142	26.0
354.13397	7.7
364.08173	3.8
366.09833	4.8
367.10474	5.3
382.12869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
87.28651	0.5
92.20891	0.5
121.06528	0.8
142.09061	0.5
160.05205	2.1
165.05501	5.5
172.03902	3.9
190.05005	30.0
218.04510	1.9
235.06374	2.1
248.06868	0.5
262.08737	1.7
262.89005	0.4
263.05814	2.8
264.06476	3.3
265.07278	2.1
276.06366	0.6
277.07428	1.0
278.08218	1.0
281.72769	0.6
290.04892	0.5
290.08105	2.8
291.05252	1.0
291.08691	0.5
292.06012	5.0
292.09595	2.3
293.06772	3.7
293.09885	0.5
303.05258	4.9
304.09760	0.5
305.06934	0.8
306.07663	11.8
308.05554	0.7
318.07596	6.6
320.05502	12.4
320.09232	3.0
321.06305	3.4
321.09943	7.5
323.07648	0.9
324.08649	8.7
331.04837	2.2
332.09256	1.0
334.07050	7.1
336.08621	1.2
338.10217	36.9
346.07056	4.2
347.07718	0.6
348.04926	2.3
348.08752	2.0
349.05746	8.9
349.09555	3.8
350.06482	0.9
350.10272	8.8
352.08145	82.2
364.08142	73.0
364.12869	0.7
366.09573	0.9
367.10507	34.2
382.08957	27.6
382.12857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1283
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
55.60340	1.4
67.27713	1.7
73.11390	1.5
76.32874	1.6
81.33257	1.4
125.36378	1.5
157.86765	1.5
181.19398	1.4
190.05042	7.6
203.25671	1.5
210.05342	1.5
299.87091	1.6
318.07858	1.7
320.05573	7.3
320.09082	4.9
321.06378	6.1
332.09329	2.3
336.08649	37.1
336.12335	2.2
338.10275	10.6
349.05963	3.1
349.09656	2.1
350.06659	2.1
350.10394	9.8
352.08142	61.8
364.08154	23.0
366.09991	5.7
367.10556	82.2
382.09067	11.9
382.13013	100.0
388.78033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1284
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
87.28651	0.5
92.20891	0.5
121.06528	0.8
142.09061	0.5
160.05205	2.1
165.05501	5.5
172.03902	3.9
190.05005	30.0
218.04510	1.9
235.06374	2.1
248.06868	0.5
262.08737	1.7
262.89005	0.4
263.05814	2.8
264.06476	3.3
265.07278	2.1
276.06366	0.6
277.07428	1.0
278.08218	1.0
281.72769	0.6
290.04892	0.5
290.08105	2.8
291.05252	1.0
291.08691	0.5
292.06012	5.0
292.09595	2.3
293.06772	3.7
293.09885	0.5
303.05258	4.9
304.09760	0.5
305.06934	0.8
306.07663	11.8
308.05554	0.7
318.07596	6.6
320.05502	12.4
320.09232	3.0
321.06305	3.4
321.09943	7.5
323.07648	0.9
324.08649	8.7
331.04837	2.2
332.09256	1.0
334.07050	7.1
336.08621	1.2
338.10217	36.9
346.07056	4.2
347.07718	0.6
348.04926	2.3
348.08752	2.0
349.05746	8.9
349.09555	3.8
350.06482	0.9
350.10272	8.8
352.08145	82.2
364.08142	73.0
364.12869	0.7
366.09573	0.9
367.10507	34.2
382.08957	27.6
382.12857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1278
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
56.70435	0.5
59.16561	0.6
61.17021	0.6
77.60230	0.6
152.69890	0.6
153.36464	0.6
160.05185	1.0
165.05562	0.7
219.03584	0.7
240.88658	0.7
292.09763	2.7
306.07596	11.1
307.81128	0.8
320.09146	4.7
321.09912	7.9
322.07211	0.8
324.08652	10.3
332.09344	0.7
334.07132	8.0
338.10202	32.6
348.08417	1.0
349.09430	4.0
350.10266	13.6
352.08130	77.1
366.09683	3.4
367.10480	33.0
381.67755	0.7
382.12827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15423	0.7
60.08164	17.3
60.48513	0.6
67.04250	11.5
67.29958	0.8
68.05059	0.9
83.06094	0.9
90.05541	5.4
95.06088	13.5
98.04798	0.7
111.05563	8.7
123.04428	1.3
125.01693	42.2
126.02473	11.6
127.03259	85.9
136.05113	1.5
148.25443	0.7
149.00581	3.0
151.02077	5.6
167.01602	7.7
168.02399	4.0
169.03244	0.8
175.63338	1.1
192.06566	4.6
194.02684	6.2
220.06027	10.0
220.11812	4.2
227.08142	3.8
228.08957	8.1
229.09718	1.0
244.04442	1.0
261.06906	28.2
277.06503	1.1
279.07971	53.5
323.07037	0.8
333.98050	1.0
338.15302	100.0
369.25424	0.9
382.09576	1.4
382.14380	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16399	0.6
56.95659	0.6
58.06610	0.8
60.08172	17.3
67.04253	10.7
68.05032	1.3
70.06612	1.0
82.67480	0.7
83.06105	0.9
89.30186	0.8
95.06094	15.2
97.10381	0.7
111.05577	9.6
123.04440	1.8
125.01703	45.2
126.02477	12.2
127.03265	89.1
135.04442	1.2
149.00578	1.9
151.02090	6.2
167.01645	7.9
168.02414	3.7
169.03152	1.8
192.06564	3.3
194.02727	6.0
220.06056	10.0
227.08217	3.4
228.08925	8.8
229.09805	0.9
261.06918	26.2
277.06464	4.6
279.07971	56.0
295.07483	3.2
323.06964	4.5
338.15311	100.0
382.09552	1.7
382.14346	41.0
385.81281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.05502	1.2
57.03439	1.2
60.04525	11.4
61.02926	1.4
65.82225	1.1
67.05507	1.4
69.03420	9.6
71.04967	1.3
73.02930	1.2
81.03418	2.4
81.07060	2.2
83.04985	1.6
85.02906	21.2
85.06523	2.3
85.82988	1.2
87.04475	2.4
90.05537	1.8
90.33155	1.2
91.03931	1.3
91.05499	1.0
95.04988	1.1
97.02907	7.1
97.06503	1.1
99.04475	7.8
100.04814	2.5
109.02879	4.9
109.06513	1.7
115.93559	1.1
121.10127	2.7
127.03900	6.6
131.01671	1.2
136.06184	100.0
137.05980	1.3
145.04929	1.9
148.06154	17.6
159.06673	1.9
166.78217	1.3
167.10651	8.1
173.08270	1.3
175.09824	1.4
181.89729	1.4
185.08220	25.9
185.11806	1.9
187.08569	1.5
194.51212	1.1
202.10883	58.0
203.12933	1.4
220.09676	14.1
220.11922	56.1
365.06744	1.6
372.12357	1.3
382.08566	8.3
382.12848	16.0
382.17163	70.0
382.27786	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1703
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.45755	0.7
54.46016	0.7
56.07639	0.7
63.68922	0.7
65.76417	0.8
69.07059	3.9
72.04507	4.7
75.82596	0.7
76.97104	0.8
77.74259	1.1
81.84756	0.8
81.90337	0.9
85.02913	5.7
85.06563	4.3
87.08103	0.9
90.05556	70.1
95.04980	1.0
98.02417	5.9
100.03983	1.2
103.07574	4.6
116.03452	10.8
123.97952	1.0
124.07633	6.6
126.20329	1.0
142.08612	2.2
160.09627	1.9
161.31429	1.0
164.11624	1.1
166.08655	1.1
184.09682	15.1
202.10751	27.0
220.11795	100.0
308.05801	1.0
320.66678	1.0
338.55750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1717
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
53.03958	1.1
55.05502	1.2
57.03439	1.2
60.04525	11.4
61.02926	1.4
65.82225	1.1
67.05507	1.4
69.03420	9.6
71.04967	1.3
73.02930	1.2
81.03418	2.4
81.07060	2.2
83.04985	1.6
85.02906	21.2
85.06523	2.3
85.82988	1.2
87.04475	2.4
90.05537	1.8
90.33155	1.2
91.03931	1.3
91.05499	1.0
95.04988	1.1
97.02907	7.1
97.06503	1.1
99.04475	7.8
100.04814	2.5
109.02879	4.9
109.06513	1.7
115.93559	1.1
121.10127	2.7
127.03900	6.6
131.01671	1.2
136.06184	100.0
137.05980	1.3
145.04929	1.9
148.06154	17.6
159.06673	1.9
166.78217	1.3
167.10651	8.1
173.08270	1.3
175.09824	1.4
181.89729	1.4
185.08220	25.9
185.11806	1.9
187.08569	1.5
194.51212	1.1
202.10883	58.0
203.12933	1.4
220.09676	14.1
220.11922	56.1
365.06744	1.6
372.12357	1.3
382.08566	8.3
382.12848	16.0
382.17163	70.0
382.27786	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76396	0.8
69.03440	1.1
70.06597	100.0
70.75973	1.0
71.94874	0.9
79.05517	1.4
81.03403	1.8
81.07062	1.5
83.04958	1.1
85.02905	5.0
87.04466	1.4
91.05467	1.9
95.06097	2.5
97.02926	4.5
98.06081	1.1
99.04472	8.3
105.07041	28.9
109.02883	4.0
110.06049	1.8
110.07186	14.2
111.04433	1.2
115.03912	1.4
119.04917	2.1
121.10158	2.3
124.03953	3.8
127.03893	4.2
128.07076	7.1
130.08647	12.3
132.08089	4.9
134.09656	4.5
137.05988	2.0
145.06563	1.7
147.04402	27.0
156.07722	8.4
157.12274	1.4
163.07552	2.4
164.07060	4.2
164.10785	1.2
181.12289	1.7
212.10732	1.9
230.11751	4.9
248.12796	1.6
250.50990	1.1
256.11838	1.9
266.13870	4.2
268.08020	1.2
273.79688	1.0
274.12903	4.7
278.11707	1.1
280.09805	1.2
284.12906	1.7
294.11176	6.2
306.11368	1.3
308.09253	13.7
320.19415	4.5
322.10736	43.3
323.11496	24.1
336.08658	1.5
338.09982	2.2
346.16586	5.5
346.20343	1.4
355.62344	1.1
364.17719	16.0
366.09763	2.3
367.10559	4.9
371.32684	1.1
382.12823	59.2
382.18591	59.7
382.22504	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1859
Annotation	Petasitenine
Peak:m/z	Relative Intensity
59.76396	0.8
69.03440	1.1
70.06597	100.0
70.75973	1.0
71.94874	0.9
79.05517	1.4
81.03403	1.8
81.07062	1.5
83.04958	1.1
85.02905	5.0
87.04466	1.4
91.05467	1.9
95.06097	2.5
97.02926	4.5
98.06081	1.1
99.04472	8.3
105.07041	28.9
109.02883	4.0
110.06049	1.8
110.07186	14.2
111.04433	1.2
115.03912	1.4
119.04917	2.1
121.10158	2.3
124.03953	3.8
127.03893	4.2
128.07076	7.1
130.08647	12.3
132.08089	4.9
134.09656	4.5
137.05988	2.0
145.06563	1.7
147.04402	27.0
156.07722	8.4
157.12274	1.4
163.07552	2.4
164.07060	4.2
164.10785	1.2
181.12289	1.7
212.10732	1.9
230.11751	4.9
248.12796	1.6
250.50990	1.1
256.11838	1.9
266.13870	4.2
268.08020	1.2
273.79688	1.0
274.12903	4.7
278.11707	1.1
280.09805	1.2
284.12906	1.7
294.11176	6.2
306.11368	1.3
308.09253	13.7
320.19415	4.5
322.10736	43.3
323.11496	24.1
336.08658	1.5
338.09982	2.2
346.16586	5.5
346.20343	1.4
355.62344	1.1
364.17719	16.0
366.09763	2.3
367.10559	4.9
371.32684	1.1
382.12823	59.2
382.18591	59.7
382.22504	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.76879	0.7
54.75074	0.6
55.05513	3.6
55.73738	0.6
60.22546	0.6
67.05508	0.9
67.23348	0.7
69.07097	1.1
69.89718	0.7
70.06596	1.5
71.87347	0.6
79.05499	1.8
81.03448	1.1
81.07054	1.6
81.54161	0.8
83.04979	0.9
83.08615	1.3
85.62283	0.7
91.05473	1.3
93.07063	1.3
95.08598	0.8
95.62778	0.7
97.02897	1.1
97.10165	6.8
99.04420	1.2
105.07034	14.6
107.08593	1.3
109.10186	1.5
110.07203	3.6
117.07056	3.1
119.04865	0.9
121.06503	1.5
121.10138	4.5
125.09665	4.2
131.08607	0.7
132.08075	1.1
134.09691	0.8
134.58678	0.9
137.05965	8.7
139.11241	1.1
145.06465	12.8
146.05995	1.2
147.04417	9.0
149.05983	4.3
149.09644	1.3
151.07526	1.5
156.07756	1.3
160.07611	0.9
161.05946	5.7
163.06282	5.7
163.07571	17.3
164.07054	34.6
165.05484	1.0
166.08615	0.9
171.10019	0.8
173.05983	3.0
175.07600	1.6
176.06987	1.4
178.08665	1.6
180.10220	12.1
181.12457	0.8
187.07509	1.4
193.12328	1.3
199.07654	1.3
230.11768	1.7
248.13199	0.8
308.09192	3.0
320.18777	4.7
322.10751	7.7
323.11642	3.8
346.16489	2.7
346.20181	10.5
364.17538	5.2
364.21561	7.6
382.12659	17.3
382.22336	100.0
396.35083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.76879	0.7
54.75074	0.6
55.05513	3.6
55.73738	0.6
60.22546	0.6
67.05508	0.9
67.23348	0.7
69.07097	1.1
69.89718	0.7
70.06596	1.5
71.87347	0.6
79.05499	1.8
81.03448	1.1
81.07054	1.6
81.54161	0.8
83.04979	0.9
83.08615	1.3
85.62283	0.7
91.05473	1.3
93.07063	1.3
95.08598	0.8
95.62778	0.7
97.02897	1.1
97.10165	6.8
99.04420	1.2
105.07034	14.6
107.08593	1.3
109.10186	1.5
110.07203	3.6
117.07056	3.1
119.04865	0.9
121.06503	1.5
121.10138	4.5
125.09665	4.2
131.08607	0.7
132.08075	1.1
134.09691	0.8
134.58678	0.9
137.05965	8.7
139.11241	1.1
145.06465	12.8
146.05995	1.2
147.04417	9.0
149.05983	4.3
149.09644	1.3
151.07526	1.5
156.07756	1.3
160.07611	0.9
161.05946	5.7
163.06282	5.7
163.07571	17.3
164.07054	34.6
165.05484	1.0
166.08615	0.9
171.10019	0.8
173.05983	3.0
175.07600	1.6
176.06987	1.4
178.08665	1.6
180.10220	12.1
181.12457	0.8
187.07509	1.4
193.12328	1.3
199.07654	1.3
230.11768	1.7
248.13199	0.8
308.09192	3.0
320.18777	4.7
322.10751	7.7
323.11642	3.8
346.16489	2.7
346.20181	10.5
364.17538	5.2
364.21561	7.6
382.12659	17.3
382.22336	100.0
396.35083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05510	0.9
56.85456	0.5
57.03426	0.7
58.06594	0.6
58.16382	0.5
67.05506	1.4
67.05859	0.5
67.14822	0.5
69.03419	1.1
69.07050	0.7
71.04996	1.3
78.07108	0.6
79.05499	1.2
81.03401	1.3
81.07051	1.3
83.08587	0.8
84.08136	6.9
85.02908	1.5
91.05495	0.7
92.10518	0.6
93.07043	1.4
95.08601	6.0
97.02893	0.7
98.06099	0.6
98.97581	2.3
99.04456	8.1
103.05467	1.2
104.86031	0.7
107.08562	0.6
109.02869	1.2
111.08032	0.8
119.04933	1.1
123.04424	2.6
129.85378	0.7
131.04953	2.9
133.06429	0.6
137.05949	7.9
145.06480	3.0
147.04404	25.2
149.05986	28.8
151.07524	1.3
154.08656	1.0
157.06454	2.4
159.03224	1.4
159.08083	0.9
160.88136	0.7
161.05948	10.9
163.07516	10.2
164.07047	4.3
165.05481	2.6
166.08644	3.7
168.03575	0.7
171.08037	1.0
173.05954	13.0
175.07535	20.7
177.04253	0.6
177.09068	3.2
187.07518	3.1
189.09090	5.0
194.08139	3.2
199.07510	5.4
201.05981	2.4
210.06563	2.9
213.09090	3.5
215.02516	0.6
219.01852	1.0
225.07748	1.1
237.12788	1.4
245.15390	1.1
255.13780	6.4
257.07004	0.7
273.14853	10.5
290.17520	4.0
321.08652	0.9
336.18121	0.8
364.20963	1.1
365.19757	1.0
382.14502	17.3
382.22253	100.0
382.64063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86384	0.3
69.07055	0.5
81.07054	0.8
92.20949	0.5
95.08608	1.8
96.34999	0.4
105.07031	1.9
107.89065	0.4
110.16638	0.5
119.08602	0.7
121.10130	0.6
137.13205	0.5
147.11723	4.6
176.07043	6.2
192.06589	2.4
200.06981	1.9
202.08615	3.3
203.09453	1.9
204.06662	0.5
204.10139	0.6
206.08136	3.1
208.17543	0.4
212.07072	9.3
213.07874	1.0
214.08635	1.8
226.08592	3.5
228.10165	0.7
230.08139	1.6
231.08867	1.9
244.09700	3.0
254.11855	0.5
294.14871	0.5
332.19934	1.6
350.21167	12.0
367.21439	5.8
382.23752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
60.60808	1.0
61.91069	1.0
67.05507	2.0
69.07047	4.7
79.05486	7.9
81.07062	49.8
82.78741	1.1
83.04948	1.2
91.05468	4.8
93.07037	11.0
95.08586	6.8
95.31408	1.1
97.06534	11.9
105.07071	9.3
107.08594	14.7
109.06461	2.0
109.10146	9.8
109.14860	1.3
111.08096	1.4
112.62458	1.1
117.07043	1.8
117.64503	1.1
119.08585	13.2
121.06502	11.1
121.10130	35.3
123.11673	5.7
131.08551	4.7
133.10127	9.6
135.11685	7.3
137.09610	2.7
137.91980	1.5
139.11185	5.7
145.10124	18.7
159.11688	8.7
161.13258	9.8
163.11145	2.3
164.07048	100.0
173.13243	1.6
175.14761	4.8
177.26262	1.2
201.16397	12.2
219.17369	2.6
231.52998	1.3
290.21078	5.7
364.15326	4.6
364.21069	1.4
382.15979	2.5
382.23654	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2737
Annotation	N-Formylcyclomicrobuxeine
Peak:m/z	Relative Intensity
50.95731	0.3
58.45562	0.2
65.57795	0.3
67.05503	0.5
67.75670	0.3
68.76246	0.2
69.43420	0.3
70.88316	0.3
81.07062	0.6
83.25307	0.4
85.77556	0.3
95.08613	0.4
109.10130	0.4
139.73293	0.3
160.68488	0.3
177.07869	4.5
178.08638	0.4
190.08612	13.4
204.10164	1.2
212.92401	0.3
216.10320	0.6
232.13380	0.7
241.75360	0.4
243.96082	0.3
274.17990	1.4
286.17944	0.7
326.21097	1.4
341.20557	1.3
364.28165	0.4
380.26028	0.4
382.27380	100.0
394.00394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.05048	3.4
57.07080	4.5
67.05504	17.6
67.85092	2.3
68.05042	2.9
69.07064	5.5
70.06585	15.8
72.04521	4.1
74.06081	15.9
77.50019	2.5
79.05505	11.8
81.03412	5.5
81.07047	19.4
81.76476	2.5
83.04990	3.1
83.08612	12.0
85.06506	3.8
86.06075	4.8
88.07634	4.1
91.05464	4.2
92.21509	3.7
93.07047	12.1
95.04969	3.3
95.08614	13.6
97.10180	3.7
98.06061	43.6
100.07639	3.2
102.05519	3.7
105.07045	5.5
107.08589	11.1
109.10175	4.3
112.07612	11.6
116.07095	46.1
118.13067	2.6
119.08580	5.8
121.10130	4.7
126.05515	34.0
128.07133	3.3
133.10147	10.9
135.11679	2.9
217.26698	2.4
236.90125	2.4
245.22511	3.2
263.23746	3.6
318.27896	10.0
336.28867	16.0
354.30017	4.9
364.28497	21.6
382.29498	100.0
382.34070	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	2.0
57.07085	3.7
59.50037	2.0
65.12556	2.3
66.20076	2.2
67.05498	14.8
69.03407	5.0
69.07056	16.9
69.20325	2.5
71.08631	2.7
71.67582	2.5
79.05503	5.8
81.03403	4.3
81.07055	16.5
83.08616	10.8
84.04509	26.3
85.02869	2.2
86.06065	91.4
91.05470	3.5
93.07053	9.3
94.06615	2.7
95.04965	10.3
95.08597	13.8
97.10173	4.5
98.06025	19.3
99.19235	2.2
100.07626	3.8
105.07024	2.5
107.08582	5.2
109.10154	5.3
110.06039	16.1
112.07607	14.7
120.06511	2.4
121.06527	2.4
121.10126	5.9
126.05509	12.6
128.07088	39.7
133.10144	2.9
135.07965	2.4
135.11737	5.4
138.32954	2.6
140.07082	26.0
167.93047	2.6
245.08043	2.5
261.22137	12.8
346.27356	9.6
364.28375	58.7
364.32462	2.6
382.29446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93398	1.5
55.05529	1.7
67.05507	7.0
69.07060	6.5
82.06579	3.8
83.08607	3.3
84.04510	10.8
86.06068	10.1
95.08621	7.2
98.06067	6.7
110.06038	54.2
112.07613	12.4
114.01734	1.6
121.10148	2.7
126.05528	1.7
128.07086	3.1
135.11678	1.6
135.86140	1.7
140.07060	50.4
198.09291	2.2
236.10803	2.0
295.43378	2.0
346.27216	1.8
364.28433	100.0
382.13022	2.5
382.30615	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99115	1.5
55.05519	11.0
57.07074	4.3
63.10410	1.6
67.05508	16.5
67.47041	1.7
69.03429	3.9
69.07077	13.8
69.50317	1.9
70.06598	3.2
71.08625	3.2
79.05493	12.5
79.36143	1.6
81.03422	2.4
81.07079	15.0
82.06571	4.3
83.04972	1.9
83.08611	10.3
84.04506	39.0
85.02891	3.1
86.06068	100.0
90.57683	2.1
91.05484	3.3
92.21214	3.6
93.07040	14.0
95.04973	18.6
95.08624	18.0
95.17638	1.6
97.10224	3.1
98.06036	13.3
100.07619	2.0
102.05569	2.3
105.07049	3.3
107.04978	2.1
107.08601	10.6
109.10094	6.2
109.45255	1.9
110.06017	12.1
112.07581	17.7
119.08578	3.6
121.06565	2.6
121.10125	9.2
124.07610	1.9
125.05901	2.4
126.05495	18.6
128.07080	44.5
131.08618	2.4
133.10132	3.0
135.08041	3.2
138.05534	2.8
140.07050	21.8
147.04430	3.5
156.06572	2.8
163.35207	2.1
178.08597	2.1
190.05031	3.5
200.72127	2.1
261.22095	15.9
263.23679	2.5
279.23120	3.6
316.26389	2.4
328.26028	2.0
332.63669	2.3
346.27313	11.1
364.28452	68.9
382.12921	3.2
382.29639	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3313
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
55.05499	2.0
55.07987	1.9
58.70272	2.0
59.59179	1.8
59.78557	1.8
61.24806	2.0
63.14707	2.0
69.07069	5.0
83.08606	2.2
86.09707	100.0
89.31461	2.1
95.08617	2.7
140.44795	2.6
146.11760	38.0
187.68713	2.5
198.12453	2.6
212.23767	2.8
225.47733	2.1
322.30893	3.6
382.32843	8.8
382.36996	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93032	10.7
64.75121	11.0
68.90848	12.8
74.93179	10.9
83.57539	10.9
98.97583	65.3
116.98595	20.1
219.23372	11.9
258.99780	67.5
277.00745	100.0
294.93158	56.9
316.45062	13.4
336.94226	22.2
337.47876	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97330	0.6
60.45578	0.7
63.32491	0.7
75.01075	0.8
75.62369	0.7
80.58890	0.7
123.01095	0.8
125.02415	0.9
155.01662	0.8
204.62836	0.8
221.04510	0.9
260.03168	0.7
262.67413	0.9
282.75952	0.8
318.10468	0.9
337.08856	1.4
383.09503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0946
Annotation	WIN54954
Peak:m/z	Relative Intensity
51.11734	0.6
52.76687	0.6
55.52333	0.6
73.41919	0.7
81.82043	0.6
83.52043	0.6
83.87526	0.6
87.85684	0.8
93.65316	0.6
96.81593	0.6
99.04456	5.7
112.52318	0.7
117.05549	0.8
120.41418	0.7
170.18625	0.7
185.04189	1.2
221.04745	1.2
235.04626	1.0
237.58986	0.7
289.05661	1.1
294.05859	3.0
337.08682	3.6
355.08685	1.1
383.09470	100.0
401.09219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16079	0.8
66.82413	0.9
165.05363	4.0
166.05757	4.3
190.05019	21.4
191.05341	19.2
236.06628	1.2
263.05768	1.4
263.08386	1.2
264.06174	1.9
265.06781	1.4
275.05246	1.0
277.06708	1.5
291.08383	3.8
292.05698	2.0
293.06427	9.3
294.07190	3.6
304.05521	6.3
306.07379	1.2
307.07834	1.6
319.07898	9.6
321.05969	15.7
322.06586	4.9
332.04993	5.8
339.10416	3.9
347.07239	5.9
349.05133	6.7
350.06052	13.4
351.10559	1.5
353.08514	7.4
365.08493	100.0
368.10474	1.4
383.09293	49.3
383.13254	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21511	1.4
53.03953	1.4
53.51078	1.2
69.03418	8.2
70.06605	2.4
73.48107	1.5
81.03432	19.5
82.02934	7.0
82.06591	2.1
83.04972	3.5
84.04510	2.6
84.08157	4.4
85.02911	7.2
86.09753	1.6
86.34570	1.6
87.04461	2.4
87.18253	1.6
88.03969	2.8
96.04486	2.8
97.02901	3.6
99.04461	45.4
104.62634	1.7
109.02874	2.9
110.06030	8.1
111.04427	2.4
112.03898	2.1
117.05492	3.2
120.04457	7.7
121.06548	1.9
122.05991	2.8
123.06553	1.8
127.03889	7.5
129.49661	1.9
130.06529	42.2
132.04437	2.9
132.08040	2.0
134.06050	2.4
138.05492	39.7
146.05974	10.0
148.07616	3.5
154.04988	9.8
156.06511	18.5
157.07558	12.7
158.05995	28.9
160.07541	7.0
166.05037	14.5
172.06021	4.2
175.08690	27.8
184.06067	20.7
185.07091	8.2
187.08664	17.2
202.07124	2.1
203.08099	21.8
204.06442	2.5
215.08125	1.9
218.06580	2.2
221.09230	11.1
231.07559	3.5
237.10172	2.0
253.09648	7.2
274.48221	1.8
283.10754	2.1
299.10306	19.3
307.31223	1.9
329.11227	2.6
347.12274	31.3
365.13425	100.0
383.14276	30.2
383.18423	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48324	0.7
56.48353	0.6
59.07861	0.6
79.05507	1.0
91.05489	1.2
105.05893	0.7
105.07030	6.9
107.04935	0.9
109.06492	3.6
122.03684	2.4
131.04895	1.0
133.06476	5.7
137.05978	100.0
145.02834	1.8
146.03619	1.4
149.10039	0.8
161.05960	37.6
161.07312	1.3
167.04942	1.1
171.08037	3.0
175.07466	1.3
177.05505	3.5
184.05211	1.2
187.07541	1.4
191.05319	1.0
199.07532	26.1
202.07690	1.7
203.08559	14.7
204.09254	1.0
219.08070	3.0
220.08871	4.2
231.08049	29.1
232.08810	8.1
233.06108	0.8
235.07639	0.9
235.11243	4.3
245.09573	1.4
247.07408	1.7
248.08302	17.2
249.09137	0.9
259.07520	25.2
259.10226	1.1
260.08319	15.5
261.09036	1.8
262.09836	3.0
263.10657	15.3
275.07053	1.1
276.07837	12.4
277.08640	7.9
291.10135	67.3
292.10815	5.5
293.08084	1.6
295.09750	0.8
295.13239	1.7
308.10361	1.7
323.12759	33.9
365.08585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1487
Annotation	Egonolpropanoate
Peak:m/z	Relative Intensity
55.01883	1.4
55.14110	0.7
60.11650	0.6
61.94067	0.7
63.97899	0.6
67.05480	0.9
74.71322	0.8
95.08543	1.1
105.25504	0.8
131.04944	4.4
137.05931	1.5
149.03320	0.8
151.07529	1.2
155.04955	7.0
159.04602	0.9
160.05203	1.7
161.05998	1.5
166.06221	4.9
172.05144	1.2
175.07535	5.2
176.08286	1.0
177.05505	5.6
181.08623	11.4
183.04431	3.5
184.05237	1.1
187.07527	3.5
190.06255	11.5
191.07077	6.0
191.35342	0.8
193.08569	1.0
200.04713	1.0
205.06717	0.9
205.08611	21.2
206.09422	1.4
209.08098	1.7
215.07013	14.1
231.08078	1.0
245.09845	0.9
248.08441	0.8
249.09189	1.7
259.07648	1.8
261.09088	1.3
271.07651	1.5
273.09219	1.1
275.06989	0.9
275.10681	0.9
276.07825	2.0
277.08591	5.1
279.10162	0.8
281.11752	1.5
287.07086	1.2
289.08566	2.0
291.10141	8.2
292.10715	1.3
293.08142	3.4
293.11774	4.8
294.08603	1.0
297.11191	1.0
301.08575	1.9
303.10104	9.8
305.08246	6.4
305.11499	1.3
306.08704	1.0
307.09512	5.1
308.10458	5.1
309.11145	13.1
316.11200	1.4
318.08911	1.1
319.09604	15.5
320.10361	1.5
321.07672	1.9
321.11145	16.9
323.12952	3.1
324.13559	1.8
325.10782	3.4
333.11380	5.6
334.11914	8.3
335.09155	5.1
335.12778	2.7
337.10672	35.2
339.12274	3.5
350.11371	1.9
351.12051	3.6
352.13062	51.6
353.10251	1.9
355.15610	1.5
365.13794	18.7
383.14871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.6
56.05048	6.2
59.72771	0.5
67.05509	4.8
69.07080	5.0
70.06659	0.7
71.04982	0.6
79.05483	0.7
81.07068	4.1
83.08630	1.3
91.05453	1.2
93.07051	1.5
95.08601	2.7
97.06556	0.8
97.10227	0.7
105.07005	0.8
107.08622	1.3
109.10175	10.0
111.11725	2.6
119.08590	1.4
121.10167	1.1
125.09637	1.2
126.98396	0.7
136.11247	1.5
137.09618	4.4
141.00140	0.7
145.02858	0.7
149.13228	1.6
153.09134	0.8
153.13847	4.7
154.12268	100.0
166.15877	1.5
169.22940	0.7
171.14919	38.1
172.13338	0.9
177.05522	2.8
188.98415	0.7
189.41560	0.6
196.16928	3.6
201.03662	1.6
210.18619	0.9
212.16466	3.7
213.19620	1.2
223.04344	0.9
229.05200	6.2
245.04695	0.9
249.05766	1.0
255.06805	3.0
257.08307	1.4
265.04962	0.9
267.06769	23.3
285.07816	11.0
347.13000	3.9
347.27039	6.1
348.25272	2.5
364.40057	0.8
365.14087	5.4
365.27988	13.6
366.26273	2.6
383.10471	3.3
383.15048	16.5
383.24686	1.6
383.28998	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80968	0.5
53.03952	4.8
69.03430	4.3
71.04989	1.1
77.47705	0.7
81.03423	7.1
85.02890	7.0
87.04495	4.9
88.22655	0.6
97.02883	4.1
99.04459	100.0
105.05515	4.2
109.02888	1.5
116.07054	1.1
117.05496	12.9
123.06573	5.6
127.03931	2.8
130.06528	3.3
138.05519	4.4
145.04965	1.4
156.06549	1.3
157.07594	2.5
158.05965	1.2
160.07556	0.7
166.05080	0.9
175.08665	3.4
184.06046	1.6
187.08710	0.9
203.08179	3.6
221.09169	1.5
243.08742	0.8
253.09944	0.7
261.09625	4.9
299.10437	0.9
347.12415	4.8
365.13229	8.1
383.18417	1.3
395.89252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1602
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
58.06612	0.9
60.58083	0.5
62.00434	0.6
66.26066	0.5
70.06596	0.6
91.20135	0.5
93.70074	0.6
94.12146	0.6
99.04469	0.6
116.07111	0.8
121.06558	0.7
137.05975	0.8
145.85658	0.7
147.53960	0.6
155.34653	0.6
170.37621	0.5
185.55998	0.6
233.51659	0.6
247.10556	0.5
286.46234	0.7
294.82364	0.6
304.97815	0.6
310.09631	0.8
311.91028	0.6
325.11826	100.0
340.14203	14.2
353.11325	15.8
367.17075	0.6
368.13705	38.9
377.10489	0.7
383.16071	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1601
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
57.55698	0.9
67.05525	0.9
69.07050	0.9
165.81093	0.9
175.11668	1.0
210.09131	5.7
212.09447	5.5
213.10228	20.0
213.13759	0.9
223.12320	4.8
224.14424	0.9
225.11559	10.8
226.10913	1.6
227.11705	8.9
241.09865	1.2
241.13351	14.4
242.14134	13.8
249.10442	1.4
252.13986	1.1
253.13312	1.2
254.15454	1.8
255.11308	5.9
268.15619	1.1
269.12790	1.6
269.16492	5.6
270.13708	3.8
278.14127	3.4
281.12915	4.7
281.16486	1.5
291.19577	1.3
293.16577	3.7
296.12137	1.0
296.15326	4.3
297.15948	16.8
309.16092	4.6
311.10223	3.7
325.12048	1.3
325.15533	4.2
326.12640	2.2
336.12424	1.7
337.15430	4.4
353.20941	3.8
355.16522	17.1
365.08371	1.0
365.23495	2.1
374.78363	1.3
383.16040	100.0
383.23892	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.9
60.58083	0.5
62.00434	0.6
66.26066	0.5
70.06596	0.6
91.20135	0.5
93.70074	0.6
94.12146	0.6
99.04469	0.6
116.07111	0.8
121.06558	0.7
137.05975	0.8
145.85658	0.7
147.53960	0.6
155.34653	0.6
170.37621	0.5
185.55998	0.6
233.51659	0.6
247.10556	0.5
286.46234	0.7
294.82364	0.6
304.97815	0.6
310.09631	0.8
311.91028	0.6
325.11826	100.0
340.14203	14.2
353.11325	15.8
367.17075	0.6
368.13705	38.9
377.10489	0.7
383.16071	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01879	48.7
57.03439	4.6
61.02933	1.9
68.62653	1.2
69.03432	26.5
71.04980	5.7
73.02921	29.9
73.59711	1.0
81.03431	26.4
83.04958	1.7
85.02906	60.1
85.06544	2.2
93.07037	1.2
95.04923	1.8
97.02900	9.3
97.06533	1.7
99.04453	29.1
102.01900	15.7
107.57371	1.2
109.02874	32.5
109.06525	1.7
115.03924	32.7
120.02930	17.0
121.06473	2.2
123.04372	1.4
127.03911	100.0
138.06418	1.4
139.07516	1.4
144.36311	1.2
145.04959	36.9
147.08064	1.9
152.45332	1.2
162.03966	9.1
165.09039	1.4
175.07668	1.4
181.04910	1.3
192.05025	6.5
193.08643	5.0
199.06026	13.3
211.09624	5.9
217.06857	1.6
228.04950	8.0
246.06056	19.4
264.07126	41.7
292.06586	1.9
304.10339	2.0
312.11133	1.3
318.11859	1.5
330.11868	14.2
337.08853	6.7
348.12796	5.1
365.11789	2.0
383.13037	8.3
383.22351	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80887	1.0
55.01880	5.7
58.06602	6.2
58.32483	1.0
61.88356	1.2
67.05499	1.2
69.03431	5.7
73.02886	1.7
79.99444	1.1
81.03412	7.0
81.07050	1.6
83.04984	1.1
83.08609	1.0
84.08153	6.1
85.02902	13.0
85.06554	2.1
85.08477	1.6
93.07043	2.1
95.08598	5.4
96.08971	1.4
97.02911	2.6
99.04437	8.0
102.01862	1.4
102.58789	1.1
105.07048	1.8
109.02888	8.3
115.03918	5.2
121.06523	5.8
121.68047	1.2
122.66139	1.1
123.04450	1.9
124.04784	1.5
127.03898	16.0
131.04961	1.7
137.05969	8.3
138.06334	2.3
145.04991	4.5
147.04410	16.8
148.04709	10.1
149.05978	18.4
150.06293	14.6
155.34184	1.1
161.05969	5.4
162.06342	6.0
163.07545	6.5
164.08034	7.5
173.06004	5.8
174.06290	7.5
175.07536	9.0
176.07944	12.5
179.09178	1.2
181.05034	1.1
188.07913	1.7
189.09140	1.3
190.09494	2.5
199.06021	2.4
200.07909	2.2
201.08817	1.1
213.09192	1.5
214.09340	2.0
238.13127	1.5
246.06081	1.4
256.14148	4.7
264.07135	5.6
274.15167	7.9
287.33914	1.4
290.05725	1.5
291.17999	1.5
292.06644	1.4
330.11722	1.7
351.12509	1.4
383.11856	6.1
383.16013	8.1
383.22595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80887	1.0
55.01880	5.7
58.06602	6.2
58.32483	1.0
61.88356	1.2
67.05499	1.2
69.03431	5.7
73.02886	1.7
79.99444	1.1
81.03412	7.0
81.07050	1.6
83.04984	1.1
83.08609	1.0
84.08153	6.1
85.02902	13.0
85.06554	2.1
85.08477	1.6
93.07043	2.1
95.08598	5.4
96.08971	1.4
97.02911	2.6
99.04437	8.0
102.01862	1.4
102.58789	1.1
105.07048	1.8
109.02888	8.3
115.03918	5.2
121.06523	5.8
121.68047	1.2
122.66139	1.1
123.04450	1.9
124.04784	1.5
127.03898	16.0
131.04961	1.7
137.05969	8.3
138.06334	2.3
145.04991	4.5
147.04410	16.8
148.04709	10.1
149.05978	18.4
150.06293	14.6
155.34184	1.1
161.05969	5.4
162.06342	6.0
163.07545	6.5
164.08034	7.5
173.06004	5.8
174.06290	7.5
175.07536	9.0
176.07944	12.5
179.09178	1.2
181.05034	1.1
188.07913	1.7
189.09140	1.3
190.09494	2.5
199.06021	2.4
200.07909	2.2
201.08817	1.1
213.09192	1.5
214.09340	2.0
238.13127	1.5
246.06081	1.4
256.14148	4.7
264.07135	5.6
274.15167	7.9
287.33914	1.4
290.05725	1.5
291.17999	1.5
292.06644	1.4
330.11722	1.7
351.12509	1.4
383.11856	6.1
383.16013	8.1
383.22595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30030	0.6
50.40779	0.5
56.03654	0.6
68.16664	0.7
69.07046	0.8
71.43636	0.7
79.95078	0.7
81.64794	0.7
92.21325	4.1
95.51477	0.7
120.13387	1.0
132.38423	0.8
133.10120	1.2
145.02837	1.4
161.13213	0.8
177.05443	3.8
181.98483	1.0
193.43201	0.9
200.78497	0.8
291.12604	1.4
294.11456	2.5
307.08356	1.0
307.11917	1.4
308.12827	47.2
308.16446	1.5
320.12814	11.9
321.09982	1.1
322.10748	19.6
336.12308	65.0
337.13092	56.1
351.10736	0.9
352.15451	100.0
383.12900	3.2
383.19611	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76252	0.6
87.63123	0.8
102.30992	0.7
115.99567	0.8
145.02907	0.9
177.05550	1.5
195.18321	0.7
293.10403	0.9
294.11288	3.4
307.11877	0.9
308.12802	39.2
320.09479	1.5
320.12762	11.0
322.10718	22.6
322.14218	1.3
324.04895	0.9
336.12277	69.5
337.13074	55.3
352.15421	100.0
379.78784	0.8
383.12607	1.7
383.19662	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76252	0.6
87.63123	0.8
102.30992	0.7
115.99567	0.8
145.02907	0.9
177.05550	1.5
195.18321	0.7
293.10403	0.9
294.11288	3.4
307.11877	0.9
308.12802	39.2
320.09479	1.5
320.12762	11.0
322.10718	22.6
322.14218	1.3
324.04895	0.9
336.12277	69.5
337.13074	55.3
352.15421	100.0
379.78784	0.8
383.12607	1.7
383.19662	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2213
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
65.05168	1.8
67.05515	2.6
69.07067	15.3
71.08629	2.3
75.98284	2.2
79.86211	1.9
80.76305	1.9
81.07051	9.2
83.08614	3.1
86.06062	42.9
87.04455	3.8
93.07053	2.2
95.08585	3.7
104.07121	10.0
107.08533	2.5
109.10152	12.0
123.11653	2.2
126.48055	2.0
145.02837	3.5
149.13284	2.2
177.05452	16.6
179.96053	2.1
185.09715	2.2
194.84172	2.2
199.07823	2.2
201.09077	9.6
213.09013	3.9
215.10703	4.3
217.12335	2.5
225.09149	3.3
227.06865	2.3
227.10637	4.5
239.10609	3.5
241.08589	8.8
247.09662	3.9
253.12253	2.8
255.13759	4.6
259.09644	14.8
261.11179	5.2
269.15295	3.8
281.15363	8.7
283.13422	2.6
295.17084	2.5
301.14270	13.3
301.20209	3.5
327.16147	2.4
337.21481	25.0
342.29926	14.8
355.22830	5.1
365.20859	12.2
383.22189	100.0
383.27161	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2215
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
55.05515	4.4
56.99260	0.8
57.07082	1.9
63.92791	0.9
67.05509	10.5
69.07080	23.3
71.08634	1.1
79.05512	8.9
81.03428	1.6
81.07065	89.6
83.08618	1.7
86.50795	0.9
91.05473	1.2
93.07042	18.8
94.99619	0.8
95.08606	7.9
107.08602	12.6
107.59060	1.0
109.02895	1.6
109.10155	40.4
111.11719	4.2
116.32975	0.9
119.08607	1.5
121.10175	1.8
123.11705	2.1
133.06544	1.4
135.11700	20.0
145.10243	1.0
147.11633	1.2
159.08083	1.3
161.05919	2.1
173.09593	1.2
177.12791	1.2
185.09668	2.0
187.07542	27.2
189.09116	4.6
197.09673	1.4
199.07561	1.8
201.09102	64.5
206.15240	1.2
211.11192	1.7
212.08148	1.9
213.09087	2.4
213.12550	1.1
215.07098	2.4
215.10657	15.8
217.08476	1.7
223.11075	1.6
225.09152	5.2
225.12828	2.5
226.09898	1.5
227.10603	10.8
229.08621	52.7
229.12012	9.0
239.10555	8.2
239.14359	1.2
241.12254	10.4
243.10176	8.1
243.13811	14.1
249.11150	1.3
252.11449	1.4
253.12210	8.2
254.13000	1.4
255.13799	6.9
257.11719	7.0
261.11215	18.1
265.12439	1.3
267.10681	2.1
267.13809	32.9
269.11703	3.9
270.08865	1.1
271.13345	5.4
273.11133	1.8
275.12598	3.4
281.11746	10.1
281.15359	7.3
281.18958	0.9
284.10413	1.5
284.99948	1.1
285.11038	6.5
287.12845	2.1
289.14349	9.3
295.13342	25.0
295.16705	1.9
299.12866	16.1
300.13159	13.9
301.14319	7.4
303.15796	4.0
308.17697	2.0
309.14883	4.9
313.14334	5.9
314.15311	1.3
323.20044	45.1
325.14154	3.6
327.15891	24.9
351.19571	52.0
365.08514	1.7
368.19391	2.2
383.22153	100.0
388.64645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2214
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
54.10464	1.2
54.58665	0.9
55.05508	5.7
67.05516	1.8
69.07061	13.8
81.07063	5.5
83.08622	2.3
83.34259	1.2
93.07007	2.1
95.08624	1.6
97.10179	7.7
107.08590	1.5
109.10163	1.5
111.11720	1.7
173.09593	1.7
177.05418	2.2
187.07584	5.5
201.09186	15.4
215.10703	5.5
223.11188	2.1
225.09132	2.3
227.10649	8.1
229.08688	6.2
239.10625	10.9
241.12184	8.5
241.35091	1.2
243.10240	2.2
247.09671	11.9
253.12164	11.8
255.10220	2.6
255.13916	9.1
257.07831	1.2
261.11374	1.6
267.10309	9.8
267.13818	7.5
269.11707	6.6
271.09818	1.5
273.11057	1.4
281.11758	10.4
281.15375	21.2
283.13336	3.0
285.11307	5.3
287.12848	7.1
295.13339	5.6
295.16943	7.4
299.12866	11.5
299.15823	1.3
301.14377	5.4
309.14899	13.8
313.14404	1.9
323.16412	1.3
325.14240	1.3
327.15918	17.6
337.21710	16.5
365.21109	13.2
365.26947	6.3
383.22186	100.0
383.27084	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2214
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
51.70013	1.6
55.05540	1.6
64.35241	1.8
69.07073	9.2
95.08642	3.8
109.10171	2.0
129.38251	2.0
133.06477	2.3
142.30202	2.2
145.02878	2.7
152.33185	2.6
154.12314	3.3
177.05473	13.2
201.09195	3.4
208.40663	2.1
215.10600	2.6
227.10759	4.8
229.08630	2.2
231.10301	2.1
239.10652	2.8
241.12259	4.7
243.10303	2.3
247.09712	3.4
253.12158	2.4
255.13800	11.7
259.09674	11.7
261.11218	11.0
267.13742	3.2
269.15387	2.5
281.15366	18.0
287.12805	8.1
295.16946	7.5
301.14355	9.5
309.14661	8.0
327.15823	4.1
337.21591	29.2
365.21008	7.1
383.22150	100.0
409.14468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2215
Annotation	Feselol
Peak:m/z	Relative Intensity
50.32144	1.5
50.70230	1.3
55.05509	2.3
56.31643	1.3
67.05499	3.9
69.07063	9.5
79.05489	3.2
79.65744	1.7
81.07063	13.7
83.08613	3.3
89.89368	2.3
91.05478	4.3
93.07047	12.1
95.08575	7.1
104.53868	1.7
105.07018	8.8
107.08628	9.0
109.06510	2.6
109.10157	11.3
110.65709	1.7
112.08983	1.8
117.06995	1.7
119.08581	9.6
121.06519	1.8
121.10156	8.5
123.11704	11.2
125.73024	1.8
127.51859	1.6
131.08580	3.1
133.10120	10.3
135.11688	3.6
143.08598	2.4
145.02861	10.9
147.11749	7.4
149.05995	1.9
155.08713	2.6
157.10150	3.3
158.13589	1.9
159.11703	3.9
161.06027	2.7
163.03906	3.8
169.10075	3.3
171.08090	4.2
171.11713	3.9
173.09634	3.2
175.07523	2.3
177.05469	19.9
183.08134	1.9
183.11743	2.4
187.07678	7.0
189.09129	15.6
193.10106	3.8
195.06505	2.1
195.11731	2.5
199.07541	2.2
200.55376	2.0
201.09050	2.6
207.11761	8.5
209.13393	2.4
211.07507	4.1
211.11153	2.1
211.14969	3.4
213.12746	1.8
213.16376	3.3
215.07176	1.9
217.08612	3.4
221.13283	11.6
223.11247	3.3
225.09125	7.4
225.12733	8.1
235.11218	3.4
235.14841	3.0
237.12753	12.5
239.10730	3.2
239.14398	3.3
241.12308	3.9
249.12868	3.8
253.12183	14.0
254.13025	2.3
255.13838	16.9
261.11362	2.0
263.14285	2.8
263.17896	2.8
265.12204	2.3
267.10513	1.9
267.13620	12.9
269.11749	2.3
273.16379	3.4
277.12192	2.0
281.12149	2.3
281.15405	8.6
283.13306	11.4
291.13782	1.9
291.17340	3.6
295.13397	8.3
299.13095	2.0
305.18954	3.1
309.14893	2.6
309.18457	3.8
315.15897	8.8
323.20093	17.8
327.15970	7.2
333.18610	8.0
337.21548	2.4
351.06924	3.2
351.19519	38.1
365.08176	3.1
365.20941	2.5
365.23560	2.0
383.09723	8.7
383.14603	3.7
383.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
54.22264	1.3
55.01867	1.7
55.05520	9.6
56.20049	1.2
57.03442	2.4
57.07081	58.4
59.04967	1.2
67.05512	18.5
69.07072	6.2
74.97291	1.3
79.05495	12.1
81.03426	7.2
81.07048	18.9
83.04976	2.0
83.08620	7.6
85.06077	2.8
85.06549	48.6
87.73593	1.4
91.05465	3.4
93.07045	9.5
95.04987	12.2
95.08614	14.0
97.06527	2.3
97.10131	4.7
105.07040	5.7
107.04953	9.9
107.08578	14.1
109.10160	22.4
111.08064	2.8
117.06982	1.9
119.08559	7.3
119.38467	1.6
121.10146	9.3
123.04417	1.7
123.08085	1.9
123.11698	2.0
125.09647	5.6
127.07486	2.0
131.08562	3.1
133.10095	3.1
135.11665	2.7
137.09618	23.0
139.11169	2.4
144.40210	1.4
145.02884	11.7
145.10098	6.3
147.08128	2.2
147.11668	2.4
149.09563	1.6
149.13264	2.3
154.12267	8.1
155.10672	1.9
159.11760	1.9
161.13219	6.0
163.11165	11.0
165.09062	12.1
171.11665	5.6
171.14952	2.5
173.11752	1.6
177.05437	24.5
179.10651	7.1
189.12738	3.0
190.94783	1.3
196.16986	7.2
197.58141	1.6
207.13849	20.3
209.50858	1.4
213.19530	2.1
216.10193	1.6
245.19005	7.6
273.18362	9.7
291.19547	44.3
330.27869	1.7
348.28952	6.8
349.27472	8.1
350.06116	6.1
365.08609	2.2
365.23224	100.0
365.27414	3.6
366.29953	11.0
383.09357	5.4
383.24255	5.5
383.28680	2.7
383.32791	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.8
60.04510	0.5
67.05514	12.4
69.07073	5.9
71.05003	4.1
79.05498	0.7
81.07063	4.9
85.06575	1.3
90.48746	0.5
90.74041	0.5
91.05466	1.3
92.94579	0.6
93.07031	2.1
95.04971	2.6
95.08599	3.5
97.18394	0.5
105.07021	3.8
107.08613	2.8
109.10161	100.0
119.08606	2.9
121.10138	1.1
123.11649	0.7
124.11207	0.6
126.54758	0.5
127.10469	0.6
127.11207	12.0
131.08569	0.9
131.29407	0.5
133.10118	2.6
135.08064	0.6
137.09581	0.8
141.20419	0.5
142.07771	0.9
143.08545	1.2
145.10086	2.9
147.11711	1.0
154.12273	2.6
154.39622	0.6
155.10654	0.6
157.10143	3.4
159.08162	0.6
161.09622	0.6
165.75844	0.5
169.10223	0.7
171.11664	1.2
171.14935	0.7
173.09616	1.1
179.74767	0.6
182.15395	2.2
185.13261	1.0
195.11609	1.1
196.16985	10.8
199.14731	0.6
209.13277	1.4
211.14891	0.6
213.12758	4.7
213.19618	2.2
227.14391	0.8
250.26244	0.5
254.74266	0.7
272.09943	0.6
273.18533	2.5
347.19693	0.7
383.25146	2.0
383.29004	3.4
391.40445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.8
60.04510	0.5
67.05514	12.4
69.07073	5.9
71.05003	4.1
79.05498	0.7
81.07063	4.9
85.06575	1.3
90.48746	0.5
90.74041	0.5
91.05466	1.3
92.94579	0.6
93.07031	2.1
95.04971	2.6
95.08599	3.5
97.18394	0.5
105.07021	3.8
107.08613	2.8
109.10161	100.0
119.08606	2.9
121.10138	1.1
123.11649	0.7
124.11207	0.6
126.54758	0.5
127.10469	0.6
127.11207	12.0
131.08569	0.9
131.29407	0.5
133.10118	2.6
135.08064	0.6
137.09581	0.8
141.20419	0.5
142.07771	0.9
143.08545	1.2
145.10086	2.9
147.11711	1.0
154.12273	2.6
154.39622	0.6
155.10654	0.6
157.10143	3.4
159.08162	0.6
161.09622	0.6
165.75844	0.5
169.10223	0.7
171.11664	1.2
171.14935	0.7
173.09616	1.1
179.74767	0.6
182.15395	2.2
185.13261	1.0
195.11609	1.1
196.16985	10.8
199.14731	0.6
209.13277	1.4
211.14891	0.6
213.12758	4.7
213.19618	2.2
227.14391	0.8
250.26244	0.5
254.74266	0.7
272.09943	0.6
273.18533	2.5
347.19693	0.7
383.25146	2.0
383.29004	3.4
391.40445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2786
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
52.90103	1.1
55.05514	7.6
57.07072	1.7
67.05510	9.7
69.07062	11.5
71.08637	2.0
79.05492	3.1
79.18389	1.4
81.07063	12.6
83.04980	16.1
83.08616	5.6
85.06513	1.7
91.05514	1.9
92.20982	2.0
93.07038	5.2
95.08604	21.8
97.06514	1.5
97.10145	2.1
105.07040	2.3
107.08595	13.6
109.06503	9.1
109.10166	11.8
111.04430	16.5
111.08039	5.8
112.01416	1.4
119.08587	6.4
121.10122	11.2
123.08050	6.4
123.11700	8.2
125.05942	5.4
133.10143	6.5
135.08017	3.1
135.11690	12.7
137.05977	6.3
137.09631	1.9
137.13252	7.2
145.10182	2.2
147.11659	8.4
149.09610	2.8
149.13269	6.2
151.07509	5.5
151.11185	1.3
159.11752	2.2
161.09608	2.4
161.13193	2.5
163.11145	5.9
163.14816	1.4
165.08943	1.5
165.12711	5.5
167.10574	1.7
173.13231	1.8
175.11160	1.7
177.05539	1.7
177.12715	1.4
177.34914	1.2
179.14273	5.9
181.12212	9.4
183.13846	9.8
195.60826	1.3
207.13890	2.3
223.20549	18.8
233.05807	1.2
233.18918	1.5
235.13225	1.3
235.20488	6.5
251.20157	2.2
252.05060	1.4
261.18533	1.3
273.25659	1.5
279.19543	36.0
297.20590	6.3
301.25159	1.7
303.26816	7.1
311.23853	1.6
319.26263	24.1
329.24734	10.8
334.92148	1.6
347.25781	100.0
365.26837	19.4
383.22336	2.1
383.33176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73902	1.6
51.76363	1.7
53.03950	9.2
55.05518	2.8
56.65064	1.6
57.07088	29.8
59.27972	1.7
63.74413	1.8
67.05515	3.5
69.03432	18.7
69.07056	3.6
71.05011	3.5
71.08633	19.0
81.03430	100.0
81.07070	16.3
81.57732	1.8
83.08621	11.7
85.02918	2.2
85.10192	13.4
86.75739	1.9
95.08631	17.8
97.02898	38.2
99.04456	8.5
107.06135	1.8
109.02888	45.4
109.10153	4.2
121.10115	2.4
123.11814	2.4
124.37167	1.9
127.03942	17.3
179.58316	2.1
239.23705	7.7
269.78223	1.9
383.23099	4.0
383.27863	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90103	1.1
55.05514	7.6
57.07072	1.7
67.05510	9.7
69.07062	11.5
71.08637	2.0
79.05492	3.1
79.18389	1.4
81.07063	12.6
83.04980	16.1
83.08616	5.6
85.06513	1.7
91.05514	1.9
92.20982	2.0
93.07038	5.2
95.08604	21.8
97.06514	1.5
97.10145	2.1
105.07040	2.3
107.08595	13.6
109.06503	9.1
109.10166	11.8
111.04430	16.5
111.08039	5.8
112.01416	1.4
119.08587	6.4
121.10122	11.2
123.08050	6.4
123.11700	8.2
125.05942	5.4
133.10143	6.5
135.08017	3.1
135.11690	12.7
137.05977	6.3
137.09631	1.9
137.13252	7.2
145.10182	2.2
147.11659	8.4
149.09610	2.8
149.13269	6.2
151.07509	5.5
151.11185	1.3
159.11752	2.2
161.09608	2.4
161.13193	2.5
163.11145	5.9
163.14816	1.4
165.08943	1.5
165.12711	5.5
167.10574	1.7
173.13231	1.8
175.11160	1.7
177.05539	1.7
177.12715	1.4
177.34914	1.2
179.14273	5.9
181.12212	9.4
183.13846	9.8
195.60826	1.3
207.13890	2.3
223.20549	18.8
233.05807	1.2
233.18918	1.5
235.13225	1.3
235.20488	6.5
251.20157	2.2
252.05060	1.4
261.18533	1.3
273.25659	1.5
279.19543	36.0
297.20590	6.3
301.25159	1.7
303.26816	7.1
311.23853	1.6
319.26263	24.1
329.24734	10.8
334.92148	1.6
347.25781	100.0
365.26837	19.4
383.22336	2.1
383.33176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2788
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
52.34587	4.9
55.05516	20.7
57.07083	7.8
60.12403	4.2
67.05507	20.7
69.07051	41.4
71.04974	5.6
77.63492	4.4
78.27132	4.9
81.07053	46.5
83.04962	8.7
83.08635	55.6
93.07044	30.2
95.08591	30.3
97.06519	11.8
97.10142	8.8
107.08578	29.6
109.10156	27.3
111.08076	20.4
111.09798	4.6
121.10157	10.3
123.11672	8.5
125.09630	9.9
133.10188	7.1
135.08102	5.0
135.11694	20.1
145.90431	5.8
147.11807	8.1
148.12428	6.6
149.13261	100.0
159.11671	25.8
167.14325	29.7
177.12793	10.7
184.11528	4.4
194.21690	5.4
201.85599	4.4
231.15858	52.4
252.39397	5.1
263.04413	5.4
279.19412	9.5
297.20511	10.6
337.27255	27.8
347.25775	88.8
365.26569	35.1
383.27997	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16140	1.6
51.61043	1.6
53.03960	1.7
55.05517	15.8
56.00845	1.7
57.03443	3.7
57.07080	3.5
65.97159	1.7
67.05509	33.6
69.03432	2.8
69.07068	21.5
77.78638	1.8
79.05508	21.1
81.03413	7.6
81.07068	37.5
83.05008	2.3
83.08620	17.6
85.06560	2.2
91.05480	10.9
93.07067	24.6
95.08614	35.9
97.06520	7.7
97.10171	9.0
105.07037	4.8
107.08601	17.9
109.10165	18.0
111.08068	2.7
117.07040	3.3
119.08584	12.4
121.10143	29.5
121.64825	1.8
123.08099	2.1
131.08553	3.2
133.10133	11.4
135.11720	22.9
139.95148	2.1
145.02861	3.1
145.10135	7.7
147.11716	4.1
151.11157	2.8
159.11632	4.4
165.12773	7.5
173.13388	3.0
177.05464	19.5
259.20569	2.2
277.21671	32.7
309.24393	2.9
383.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24504	3.0
55.05513	2.9
57.03437	3.3
57.07064	3.1
58.06648	2.8
67.05497	8.4
69.07050	8.4
71.08627	18.6
77.97404	3.3
81.07068	25.1
83.08598	4.6
84.66569	3.3
93.07030	13.8
95.08607	16.8
97.06561	3.9
97.10183	3.8
99.08083	5.6
107.08616	7.0
109.06506	26.4
109.10130	8.6
119.08604	4.0
121.10146	6.1
123.11677	3.6
133.10159	5.3
165.12772	60.9
200.23727	23.1
211.06195	3.2
231.96434	4.9
235.16835	6.3
291.20129	5.0
291.23215	93.0
383.27786	100.0
383.36032	7.1
395.88254	4.4
407.05087	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26007	1.6
55.05520	2.9
57.07079	2.8
67.05499	15.3
69.03423	2.1
69.07066	13.6
71.04999	2.3
71.08614	2.6
75.34549	1.9
79.05507	3.1
81.07063	26.4
83.08635	2.9
85.06548	4.1
86.06058	3.0
91.05471	2.8
93.07049	11.9
95.08613	28.1
97.10194	2.7
99.08112	2.0
104.25986	2.2
105.07050	8.6
107.08580	12.4
109.06526	3.5
109.10162	10.5
111.04440	11.4
113.84528	1.9
119.08595	3.9
119.61548	2.1
121.10131	9.8
123.08088	9.0
127.07578	2.4
133.10144	9.1
135.08066	4.0
135.11719	4.9
137.06006	4.7
137.13264	11.7
147.11670	12.7
149.13246	3.3
151.07547	2.1
154.12263	7.6
163.11198	3.1
163.14694	2.2
165.12708	9.4
171.89470	2.1
177.05531	2.5
179.14262	7.8
181.12245	9.0
183.13812	55.4
191.14288	2.1
196.17003	12.5
201.14882	3.9
209.13609	2.2
273.25491	2.8
319.26263	14.7
329.24713	11.0
347.25800	100.0
365.26938	16.4
383.28738	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	13.6
69.07054	5.5
79.05501	4.9
79.42673	2.2
81.07069	23.2
83.08614	4.6
91.05458	12.1
93.07050	20.9
95.04968	2.9
95.08624	29.6
97.10157	4.0
105.07030	10.7
107.04943	2.6
107.08606	21.4
109.10144	12.3
117.07032	5.4
119.08566	23.3
121.10130	19.5
131.08586	14.2
133.10097	19.6
135.08031	4.4
135.11710	5.5
145.10133	17.1
147.11705	19.2
149.09613	6.4
149.13242	10.2
154.12288	10.4
158.44965	2.7
159.11696	11.6
161.13251	11.1
163.11195	3.4
169.55040	2.8
173.13278	5.5
175.14815	5.9
177.12627	3.5
185.13199	5.6
187.14774	5.4
189.12723	2.7
195.57352	2.7
205.15799	3.3
228.35959	2.8
271.54611	3.0
275.23572	3.7
285.22086	16.6
302.24796	11.8
303.23190	72.5
319.27444	4.9
320.25900	28.8
330.24155	5.7
337.28470	100.0
347.27008	15.8
365.23453	5.2
365.27966	68.1
368.11130	3.4
383.13254	23.1
383.28934	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33831	2.2
67.05503	16.2
69.07079	6.5
78.02003	2.9
79.05492	11.1
81.07062	18.0
83.08633	6.4
91.05467	6.6
93.07045	17.8
95.08601	16.1
97.06529	6.2
97.10177	3.5
100.29207	2.6
105.07079	6.2
107.08603	5.9
109.10150	16.3
109.17883	2.5
117.07024	3.0
118.08249	2.5
119.08575	13.7
121.10131	12.7
123.11731	3.1
125.09560	4.7
131.08597	10.3
133.10155	16.9
135.08060	3.1
135.11719	15.5
137.05917	2.9
145.02908	5.2
145.10120	3.4
145.52803	2.9
147.11684	11.0
149.13283	5.6
154.12230	19.4
159.11661	4.7
161.13246	3.4
162.06335	2.8
168.13828	100.0
170.11794	3.6
175.14789	3.6
177.05511	15.4
177.12747	2.7
182.15401	32.3
185.16498	28.2
190.05034	3.5
196.17015	25.6
198.14955	4.8
199.18066	11.3
275.23819	3.4
285.22137	11.6
303.23047	32.2
318.71649	2.8
320.25845	13.1
337.28448	44.0
347.26981	14.2
348.25317	11.0
351.06839	15.1
365.27975	60.9
366.26422	4.4
383.15128	4.1
383.25348	3.6
383.29163	41.0
406.29260	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50183	0.3
55.05520	0.5
56.04809	0.4
56.05046	6.0
56.05478	0.3
61.96519	0.3
67.05512	2.9
69.07075	4.7
70.06585	0.7
74.09528	0.3
79.05489	0.4
81.07063	1.5
81.83368	0.4
83.08611	1.3
84.08137	0.3
91.05485	1.3
93.07053	2.3
95.08615	2.7
97.06505	0.3
107.08575	0.7
109.10168	11.7
110.09658	0.3
111.08088	0.5
111.11712	2.2
119.08590	2.1
120.38668	0.3
121.10181	0.4
136.11203	1.9
137.09608	3.4
149.13237	2.5
153.13876	3.6
153.96211	0.3
154.12274	100.0
166.15898	1.9
167.14316	0.6
171.14925	38.7
172.13350	0.6
177.05339	0.4
196.16983	1.4
210.18605	1.8
212.16524	2.3
229.05267	0.6
267.06699	3.6
285.07855	0.7
347.26895	4.3
348.25381	2.0
365.14383	0.5
365.27988	13.5
366.26450	1.6
383.09991	1.3
383.15176	2.3
383.29044	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	4.9
56.64539	0.5
67.05499	3.2
69.07066	5.0
73.60365	0.5
77.26125	0.5
81.07062	1.4
83.08607	0.6
91.05473	0.9
93.07029	1.2
95.08604	3.1
107.08582	0.7
109.10155	9.7
111.08060	1.0
111.11731	1.0
119.08579	1.1
125.09753	0.7
136.11214	0.9
137.05974	1.3
137.09630	3.7
145.02866	2.3
149.13271	2.6
153.13844	3.3
154.12262	100.0
160.87425	0.5
171.14902	36.8
172.13216	0.6
177.05452	3.8
193.06955	0.7
195.00551	0.7
210.18596	2.2
212.16469	2.5
252.35985	0.6
267.06808	2.5
291.10141	0.6
312.68295	0.6
319.08279	0.7
320.09180	1.4
334.10632	0.7
335.11313	0.8
347.26743	5.2
348.25421	3.1
351.06787	1.1
365.27963	11.4
366.26242	1.0
383.08759	0.8
383.12979	1.0
383.29031	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
57.07079	6.0
59.87445	0.9
67.05495	1.1
69.07058	2.5
71.08637	7.8
81.07060	5.4
85.10186	1.4
93.07043	2.4
95.08590	2.0
97.06526	1.6
97.10125	1.5
109.06528	5.2
109.10104	1.4
121.10154	9.8
139.11217	4.2
158.77220	1.0
165.12729	7.8
172.97510	1.2
184.13309	4.4
198.22147	7.7
200.23724	100.0
235.16965	2.0
240.69470	1.0
266.24564	1.1
291.23230	13.8
338.34155	19.3
366.33640	19.6
383.28564	11.2
383.36322	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04445	1.8
54.47880	1.5
55.16416	1.5
57.07083	29.7
60.05629	2.6
60.08159	1.9
67.05505	3.3
69.07067	9.0
71.08636	23.7
79.05481	2.4
81.07064	7.3
85.10181	11.9
93.07040	4.4
95.08601	2.9
96.08150	2.6
107.08609	8.3
109.10170	1.8
111.15884	1.6
120.06558	3.5
126.72086	1.9
135.10811	2.1
135.11664	17.2
147.11707	1.8
152.14340	63.7
180.13829	2.5
184.20654	4.3
184.67010	2.0
186.22160	51.1
198.14877	45.8
338.34290	3.7
366.33588	30.6
383.28229	12.7
383.36334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
72.73238	0.8
149.06003	15.7
174.05536	1.9
175.03902	3.3
192.06558	100.0
193.01335	40.3
193.03099	1.5
206.47762	1.0
250.84956	0.8
262.05133	0.9
264.06512	13.5
264.42059	0.9
292.05957	12.9
308.05664	1.1
309.06210	1.2
319.04730	1.8
320.05420	8.0
324.08627	2.0
335.11539	1.0
336.08527	1.5
338.06616	1.3
338.10287	1.2
348.04974	2.1
352.08115	17.2
356.11301	1.1
366.09552	1.6
366.13553	1.2
384.10773	12.2
384.15240	3.1
387.19638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83479	0.4
54.45417	0.5
58.06598	2.8
60.47631	0.4
69.03434	0.5
85.02895	2.4
88.00529	0.4
94.51450	0.4
99.67589	0.6
109.02879	0.5
110.82970	0.5
114.08758	0.4
120.04466	0.5
148.03954	1.1
156.62143	0.5
193.96127	0.4
194.04485	35.7
214.05333	0.5
222.03972	100.0
282.08859	2.0
338.34332	0.5
339.12292	0.9
384.09265	18.0
384.17792	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27123	0.3
69.03424	0.6
81.03422	0.4
85.02903	3.0
90.79577	0.3
97.02894	1.4
105.08121	0.3
108.95174	0.3
123.82069	0.3
127.03931	1.3
148.03918	2.3
190.04778	0.3
194.04486	42.6
220.45824	0.4
222.03964	100.0
226.73357	0.3
310.07086	0.6
356.76157	0.3
384.09225	15.5
390.65848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27123	0.3
69.03424	0.6
81.03422	0.4
85.02903	3.0
90.79577	0.3
97.02894	1.4
105.08121	0.3
108.95174	0.3
123.82069	0.3
127.03931	1.3
148.03918	2.3
190.04778	0.3
194.04486	42.6
220.45824	0.4
222.03964	100.0
226.73357	0.3
310.07086	0.6
356.76157	0.3
384.09225	15.5
390.65848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33192	0.4
69.03436	2.0
81.03438	1.1
84.43156	0.5
85.02923	4.0
87.04463	2.6
93.60281	0.5
97.02886	2.2
99.04453	2.9
102.04719	0.5
102.05501	0.6
106.06575	2.3
121.06505	4.5
124.03916	0.5
124.07543	0.9
127.03922	1.2
148.03943	2.9
152.05678	2.1
194.04488	44.8
200.09132	0.6
222.03973	100.0
222.07570	3.0
237.22650	0.5
247.39799	0.6
288.53192	0.6
384.08810	13.7
384.16675	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
58.06593	0.2
61.02935	0.4
65.73281	0.2
69.03423	1.1
85.02894	2.8
97.02880	0.5
127.03905	0.5
148.03931	2.2
185.88391	0.3
194.04480	37.3
222.03967	100.0
286.10880	0.3
298.07169	0.4
326.12143	5.3
341.14609	0.5
354.11713	0.4
369.14017	2.3
384.09247	12.3
384.16568	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1074
Annotation	Chilenine
Peak:m/z	Relative Intensity
74.02269	0.9
74.30257	0.9
91.05473	6.7
94.00583	0.9
96.20445	0.9
119.04933	9.3
123.09731	1.1
137.05984	1.4
147.04430	1.5
148.05214	2.4
149.05978	35.0
151.03847	1.2
159.04491	1.3
165.05504	4.1
174.05487	5.6
176.04753	2.2
177.05463	4.7
190.04996	1.7
193.04950	4.0
206.04459	1.9
294.07672	3.7
307.08713	1.5
321.06076	1.2
322.07095	4.6
323.07864	4.4
324.08829	1.5
336.04926	4.1
338.10220	28.3
351.07370	7.5
356.11188	5.4
366.09631	29.5
384.10803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18491	0.3
51.95234	0.3
91.91027	0.4
114.09187	0.4
116.47388	0.4
144.04451	0.5
147.04393	0.6
159.04381	1.8
160.03958	0.5
164.13525	0.3
165.05463	8.9
173.04666	0.7
174.05492	10.6
190.04936	1.9
192.06544	24.6
209.04440	0.6
218.04393	0.4
220.05989	1.5
252.06470	1.6
263.09549	0.4
264.06601	0.8
265.07266	0.4
266.08182	1.9
267.08807	0.5
270.11426	0.4
276.06442	0.5
277.07419	0.7
278.08246	2.7
279.08844	1.7
280.06070	4.8
282.07590	0.7
290.04468	0.4
292.06110	3.5
292.09628	1.5
293.06842	0.5
293.10831	0.4
294.07791	4.7
294.10983	0.6
295.08334	1.9
305.06918	4.4
306.07629	2.7
307.08374	2.8
308.05600	9.3
308.09140	1.4
309.09918	0.5
310.07108	1.5
318.07468	0.4
319.08447	0.5
320.05682	1.0
320.09143	5.5
320.12759	1.3
321.06174	1.5
321.09824	0.8
322.07068	14.8
322.10779	0.9
323.07938	7.0
323.11472	0.7
324.08762	0.6
333.06335	3.4
334.07050	2.3
334.10532	0.8
335.07791	0.6
336.05042	8.2
336.08633	1.6
336.12289	2.2
337.12952	0.7
338.10199	7.7
338.13831	1.8
340.15533	0.6
348.08539	2.8
350.06500	6.1
351.07388	21.3
352.08109	0.6
352.15500	6.3
353.15863	1.9
354.13354	0.5
366.09708	100.0
384.10684	76.0
384.18164	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1072
Annotation	Chilenine
Peak:m/z	Relative Intensity
53.77197	0.7
55.84369	0.7
68.64710	0.8
86.09707	1.0
88.54504	0.8
102.75110	0.7
110.31602	0.8
143.48534	0.8
147.04408	1.2
149.05972	1.0
159.04422	2.9
160.03896	1.5
160.05180	1.1
162.05476	0.8
165.05438	7.5
174.05486	12.7
174.59366	0.9
190.04953	3.2
191.97713	0.8
192.06558	6.3
193.05000	1.0
219.05684	1.1
276.06598	0.9
278.08240	1.5
278.27161	0.8
279.08835	1.0
280.06052	0.8
286.52676	0.8
292.07007	1.9
293.06973	1.1
294.07590	3.8
294.10971	1.0
295.08389	1.3
305.06897	1.5
306.07861	1.3
307.08377	5.2
308.05817	6.5
308.09058	1.0
320.05594	1.0
320.09225	1.7
321.06342	4.8
321.09811	1.2
322.07050	15.5
323.07748	8.2
324.08728	1.0
333.06296	3.1
334.07120	1.2
336.04944	7.6
336.08603	3.7
336.12341	1.1
337.13007	1.1
338.10239	17.5
348.08719	3.9
350.06656	4.6
351.02954	1.2
351.07324	23.5
366.09708	100.0
384.10718	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1073
Annotation	Chilenine
Peak:m/z	Relative Intensity
50.76184	1.3
59.84600	1.1
67.59756	1.4
73.33184	1.3
84.02792	1.3
92.20996	1.9
101.49388	1.7
135.18506	1.5
151.59027	1.6
153.61354	1.4
168.92409	1.5
184.07295	2.4
194.67584	1.6
199.02039	1.6
201.99712	1.5
294.07715	2.8
305.06729	3.0
306.07941	2.1
308.05582	34.9
308.08862	2.7
320.05524	2.4
322.07123	37.5
323.04379	3.1
323.07822	37.7
334.10837	2.7
336.05017	100.0
337.09515	6.2
338.10223	12.5
351.07367	65.6
366.05246	2.3
366.09720	71.3
384.10754	83.6
384.18280	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37514	0.4
66.67046	0.5
76.20092	0.5
81.22004	0.5
92.21582	1.0
105.07034	1.9
116.54189	0.4
133.06494	2.2
134.07283	1.8
135.08005	0.8
149.02344	4.9
150.06763	11.6
163.07597	0.8
165.09108	47.7
175.06317	3.2
177.01813	5.6
184.87721	0.6
187.09795	0.5
190.08612	11.6
193.01364	1.1
206.08189	0.5
264.10190	1.8
277.07300	0.7
292.09650	12.6
293.06693	0.7
294.07581	3.5
296.09055	0.7
305.06842	0.8
306.07681	1.1
307.08304	0.9
308.05502	1.0
308.09030	0.8
309.06363	0.6
322.07224	6.0
322.10641	1.1
323.07858	2.4
324.08804	1.9
334.11075	0.6
335.07843	2.2
336.05063	4.6
337.05936	0.5
338.10199	25.2
350.06693	1.1
351.07379	2.8
352.08109	5.3
353.15817	0.9
356.11285	4.2
363.30896	0.5
366.09717	32.8
367.54184	0.5
368.09839	0.5
384.10748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23417	0.8
55.01890	1.0
58.06603	6.7
66.73014	0.9
72.08159	0.9
81.65817	0.9
86.58822	0.8
100.96575	0.9
109.89609	1.0
123.11714	1.2
139.07555	1.2
140.07945	1.3
164.78009	1.0
213.07843	16.4
215.72786	1.1
246.23531	1.0
250.08620	5.3
252.10295	1.2
264.06766	1.3
265.07220	12.5
266.08044	4.0
279.08884	2.1
280.09674	63.3
282.11206	1.2
282.83923	1.3
292.06012	4.4
293.06830	8.4
297.11237	2.2
308.09152	38.5
310.07080	34.1
323.08185	1.5
324.08713	11.5
333.06287	1.3
334.07126	1.8
338.10217	70.0
339.11435	1.7
340.11768	29.2
352.08218	4.8
354.13379	1.7
366.09677	15.2
383.09387	1.3
384.10712	100.0
384.14572	26.8
384.23431	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1078
Annotation	Chilenine
Peak:m/z	Relative Intensity
61.34764	0.7
65.54204	0.7
68.15784	0.9
69.01675	0.8
75.13142	0.7
76.39155	0.7
79.25877	0.8
84.71201	0.8
88.78607	0.8
116.96144	1.0
140.62384	1.0
160.03885	1.0
164.63690	0.9
165.05493	3.4
166.05891	1.5
172.03883	1.3
173.04265	1.4
174.05588	1.1
178.04973	21.2
190.04991	14.7
191.05322	11.6
192.05594	10.5
193.05019	1.3
206.04430	0.9
218.04326	1.0
220.05150	1.0
236.06931	1.7
237.07057	0.9
254.58430	1.1
263.05688	1.9
264.06473	2.1
265.06738	4.3
266.07153	2.0
278.08078	4.8
280.06119	4.9
281.06891	1.7
291.05573	1.4
292.06030	5.9
292.08963	1.3
293.06430	1.4
294.06967	7.2
294.09915	1.0
295.07532	1.6
305.05994	5.0
306.07489	6.9
307.07761	0.9
308.05475	10.3
308.08582	1.4
309.06381	1.1
310.06546	1.4
318.07925	1.0
320.08505	8.2
321.06058	3.3
322.06131	11.4
323.07208	4.7
324.08594	1.6
333.05338	4.8
334.06909	5.8
336.05048	4.6
336.12201	1.4
337.05890	7.0
337.12839	1.3
338.10318	3.5
348.07657	5.5
349.08658	1.6
350.05585	6.9
351.06418	14.3
352.08142	67.4
364.08081	1.9
366.08813	100.0
384.10214	77.1
384.17880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1076
Annotation	Chilenine
Peak:m/z	Relative Intensity
54.23417	0.8
55.01890	1.0
58.06603	6.7
66.73014	0.9
72.08159	0.9
81.65817	0.9
86.58822	0.8
100.96575	0.9
109.89609	1.0
123.11714	1.2
139.07555	1.2
140.07945	1.3
164.78009	1.0
213.07843	16.4
215.72786	1.1
246.23531	1.0
250.08620	5.3
252.10295	1.2
264.06766	1.3
265.07220	12.5
266.08044	4.0
279.08884	2.1
280.09674	63.3
282.11206	1.2
282.83923	1.3
292.06012	4.4
293.06830	8.4
297.11237	2.2
308.09152	38.5
310.07080	34.1
323.08185	1.5
324.08713	11.5
333.06287	1.3
334.07126	1.8
338.10217	70.0
339.11435	1.7
340.11768	29.2
352.08218	4.8
354.13379	1.7
366.09677	15.2
383.09387	1.3
384.10712	100.0
384.14572	26.8
384.23431	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1077
Annotation	Chilenine
Peak:m/z	Relative Intensity
63.72978	0.2
72.44918	0.2
86.98183	0.2
90.58897	0.2
99.79380	0.2
153.98592	0.2
160.03935	3.6
165.09187	0.5
170.10243	0.2
177.05553	0.3
178.04982	31.1
206.04480	4.4
235.06392	0.9
236.07191	1.0
237.07967	0.3
248.07166	0.5
249.07855	0.4
250.08748	0.9
252.06502	3.4
253.07326	1.5
263.05765	2.4
264.06552	3.9
265.07330	2.3
274.05054	0.2
276.06570	0.2
277.07339	0.4
278.08112	7.3
279.05258	0.4
279.08804	0.4
279.50980	0.2
280.06097	6.4
280.09683	1.2
281.06799	3.2
290.08408	0.3
291.05240	5.0
291.08502	0.3
292.06006	6.5
292.09229	0.3
293.06912	1.1
296.05621	1.5
305.06976	0.3
306.07587	8.4
307.04974	0.7
307.08200	0.6
308.05536	14.0
308.08893	0.8
309.06348	5.0
309.09589	0.4
310.07135	1.1
315.80075	0.2
319.04761	4.8
319.08157	0.5
320.05481	1.1
320.08905	0.5
322.07065	2.1
323.04456	0.5
323.07813	2.4
324.04987	0.4
324.08661	6.4
334.07086	8.1
334.10617	0.6
335.07889	0.4
336.04993	9.0
337.05811	12.5
337.09024	0.6
338.06583	1.2
338.10239	0.8
340.10690	0.3
351.07339	2.9
352.08142	100.0
354.08945	0.4
366.05780	0.3
366.09778	4.2
384.10727	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1076
Annotation	Chilenine
Peak:m/z	Relative Intensity
50.47417	0.4
50.54541	0.3
52.55605	0.3
55.09417	0.4
71.68620	0.4
79.05443	0.7
80.08938	0.4
91.05432	0.5
99.16449	0.4
99.73161	0.4
116.26919	0.5
121.02816	0.4
135.04372	1.6
145.02847	0.7
149.05945	0.7
150.03130	0.6
154.12325	0.5
163.03914	5.3
174.05473	1.0
175.03886	0.9
175.05736	0.4
176.06070	0.5
177.05525	0.8
178.02667	0.7
178.05852	0.8
189.00352	0.4
191.07100	0.5
192.06541	0.8
193.04970	100.0
220.35519	0.4
225.83080	0.4
266.54211	0.4
278.07245	1.0
324.07758	0.7
338.10062	0.7
352.07159	4.3
353.07886	7.5
384.10330	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1078
Annotation	Chilenine
Peak:m/z	Relative Intensity
50.98440	1.6
62.90797	1.4
66.03185	1.7
75.19521	1.6
91.05473	4.2
96.87833	1.6
115.59206	1.7
119.04953	2.7
144.04504	8.3
147.04437	11.8
149.05998	23.8
151.13228	1.7
165.05446	4.1
174.05510	83.6
175.03896	2.8
176.04794	1.8
176.07014	14.1
181.04965	2.1
190.08626	3.8
191.03467	2.1
240.00890	1.8
278.08176	2.0
295.08865	2.1
307.08554	2.6
308.09180	7.8
320.09198	3.4
322.07104	2.5
324.08734	14.0
333.06531	3.9
336.05090	6.8
336.08710	7.0
338.10226	17.8
339.07791	2.0
348.08771	8.6
351.07196	5.6
356.11282	63.4
366.09760	45.3
384.10822	100.0
398.46967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1074
Annotation	Chilenine
Peak:m/z	Relative Intensity
64.38618	0.8
85.03667	1.0
91.05483	6.1
92.20998	1.4
104.06831	0.9
113.40759	1.0
119.04935	5.0
134.98149	1.0
135.04396	2.1
143.38293	1.2
147.86180	0.9
149.05977	28.4
165.05466	7.7
174.05537	5.8
175.04007	0.9
176.04677	1.3
177.05492	4.1
190.04919	2.2
192.06535	1.1
193.04997	4.5
233.62846	1.0
269.50043	1.0
281.08444	1.0
291.91721	1.0
294.07693	3.9
295.08511	1.5
305.06879	1.2
308.05463	12.4
308.08633	1.3
322.07077	17.0
323.07840	15.0
324.08710	1.4
336.05048	21.4
338.10175	24.2
351.07327	21.3
352.08124	2.4
356.11304	4.1
366.09692	48.6
384.10764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1076
Annotation	Chilenine
Peak:m/z	Relative Intensity
58.06588	1.0
69.03407	2.6
70.06583	0.7
71.05019	0.5
74.47420	0.6
75.04481	0.7
81.03387	0.7
84.04457	0.5
84.08134	0.6
85.02891	2.5
91.04022	0.6
97.02882	0.9
99.04449	1.2
125.37801	0.7
127.03892	1.1
129.67484	0.6
142.28166	0.5
149.05963	0.9
153.92415	0.6
174.05411	0.6
175.06242	0.8
176.07063	1.3
177.01834	1.4
181.04965	0.7
188.07074	2.5
189.07861	4.2
190.05028	0.6
190.08617	15.0
195.02866	10.3
204.06767	0.7
206.06149	0.8
206.08110	25.2
265.09186	0.7
266.07870	0.9
267.08798	3.4
278.08096	1.0
294.08133	0.6
295.08334	2.8
296.09076	6.2
308.09219	0.8
310.07120	0.9
321.06259	4.2
322.07199	0.8
323.07852	0.8
324.08649	0.9
336.08514	3.9
338.10144	1.4
339.07242	2.5
340.11584	0.8
354.09491	0.8
366.09601	7.4
384.10703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56049	0.7
51.44053	0.7
70.06586	1.0
75.29142	0.8
81.03406	1.1
82.25945	0.8
85.02897	1.0
87.04470	11.9
89.29720	0.8
97.02908	1.7
99.04443	1.9
126.30945	0.9
154.05020	0.9
157.33833	0.8
163.03836	1.2
164.03421	1.4
164.57465	0.7
166.04878	0.9
176.07054	1.6
185.73795	0.9
188.06940	1.4
189.07800	1.7
190.04979	4.6
190.08640	16.3
195.02919	10.6
202.74603	0.8
204.06519	1.9
206.06345	1.4
206.08105	19.4
222.07587	6.5
267.08813	3.3
295.08221	2.9
296.09119	5.0
308.09061	0.9
321.06393	4.6
323.07849	1.4
324.08710	1.0
336.08667	1.6
338.10114	3.3
339.07529	1.7
366.11551	10.7
384.10690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1074
Annotation	Lilaline
Peak:m/z	Relative Intensity
58.06597	2.1
63.83555	0.8
77.76929	0.8
112.89259	1.0
118.98773	1.0
144.61942	1.0
163.32077	1.1
175.55199	1.0
191.54991	1.1
261.07709	3.7
262.08560	2.4
276.06732	1.9
277.07336	4.3
278.07816	1.5
280.09644	3.8
290.04520	8.3
290.08124	9.4
291.08905	12.1
292.06046	5.2
292.09634	7.6
302.49866	1.1
305.06836	26.7
306.07608	12.7
307.08417	8.5
308.09201	1.7
318.03979	44.8
319.08411	4.0
321.09882	4.7
322.10745	8.0
333.06314	76.5
335.07864	4.4
336.05075	6.7
338.10309	4.9
348.08664	49.2
351.07358	1.9
366.09717	100.0
384.10715	39.0
384.18353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1147
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
57.03438	1.2
73.02909	1.0
85.02911	1.5
99.04488	0.7
104.07079	0.8
112.86485	0.7
120.08083	0.8
121.06496	10.2
136.06183	13.9
138.05482	0.6
146.06050	0.7
148.06160	0.9
162.07744	19.9
166.08559	0.8
169.79755	0.6
181.90366	0.7
188.05702	9.1
192.05171	11.1
206.06711	11.2
234.06181	14.8
252.07251	100.0
348.13058	1.0
366.14120	1.5
384.11566	53.1
384.16504	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73530	0.4
53.10590	0.3
54.58493	0.5
54.83717	0.4
55.01854	0.9
57.03401	2.2
69.03397	1.0
79.80203	0.5
81.03353	0.5
84.08113	0.4
85.02859	2.5
85.06519	0.7
87.04420	0.7
97.02879	0.6
97.58595	0.4
99.04409	1.7
101.05992	0.6
106.06499	2.0
109.02879	0.6
115.03915	0.5
121.02847	0.7
121.06497	0.9
124.07564	0.9
127.03877	0.7
136.05150	0.5
136.06190	15.4
148.06177	0.8
162.07750	21.3
188.05659	8.0
192.05153	11.7
194.04443	1.0
206.06773	9.6
209.25035	0.6
222.03951	4.7
234.06207	18.1
252.07265	100.0
281.09360	1.6
296.05695	0.7
366.11743	0.7
366.25085	0.5
384.11575	43.7
384.16513	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03429	1.8
58.74460	0.4
69.03432	0.7
73.02895	0.9
84.04448	0.9
85.02887	1.2
85.97038	0.5
90.98348	0.4
96.17883	0.4
125.73533	0.6
136.06184	15.6
142.98294	0.5
162.07742	21.3
188.05704	8.8
192.05186	12.0
206.06726	11.7
234.06203	15.9
252.07263	100.0
384.11481	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03429	1.8
58.74460	0.4
69.03432	0.7
73.02895	0.9
84.04448	0.9
85.02887	1.2
85.97038	0.5
90.98348	0.4
96.17883	0.4
125.73533	0.6
136.06184	15.6
142.98294	0.5
162.07742	21.3
188.05704	8.8
192.05186	12.0
206.06726	11.7
234.06203	15.9
252.07263	100.0
384.11481	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83021	0.3
57.03432	1.9
73.02897	0.9
74.15091	0.5
76.37316	0.4
77.85471	0.5
84.03065	0.4
85.02906	1.9
105.17979	0.4
136.06187	15.7
148.06204	0.8
162.07744	20.8
188.05670	8.8
192.05142	11.8
195.16360	0.5
199.30029	0.5
206.06685	9.1
216.05269	0.6
234.06227	14.4
252.07262	100.0
261.57666	0.5
369.59689	0.5
384.11478	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1152
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01876	0.6
57.03449	1.9
61.10772	0.4
69.03418	1.0
71.01373	0.5
73.02908	0.5
78.60010	0.4
85.02905	2.7
102.97258	0.5
115.03947	0.8
117.01701	0.5
119.21552	0.4
126.06867	0.6
126.83006	0.4
129.16800	0.5
129.17740	0.5
136.06195	13.9
141.38306	0.5
150.42496	0.5
162.07751	22.4
177.07582	0.5
188.05705	9.5
192.05177	13.1
206.06711	9.4
216.05203	0.9
222.09534	0.9
234.06226	16.9
252.07277	100.0
366.11636	0.7
384.11377	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37463	0.5
54.62983	0.5
56.66396	0.6
57.03438	1.3
59.06601	0.5
60.98236	0.6
71.04967	0.6
85.02906	1.5
85.43022	0.6
87.04461	3.9
91.02692	0.6
93.40518	0.6
94.38306	0.7
97.02869	0.9
123.07266	0.6
136.06184	13.6
162.07732	20.5
164.03456	0.9
188.05672	8.7
190.05045	0.7
190.08611	1.1
190.28290	0.8
192.05118	12.9
204.06598	0.9
206.06650	9.3
234.06200	16.2
244.06026	0.8
252.07256	100.0
314.73358	0.7
366.11624	4.2
384.11340	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61174	0.8
55.01877	2.0
58.06601	4.1
59.92973	0.8
61.02874	0.9
63.76976	0.7
67.05506	1.1
69.03417	1.8
71.05014	0.9
73.02911	1.4
79.50297	0.8
81.03427	4.6
85.02900	6.6
85.06550	100.0
99.04464	9.4
100.04779	1.3
103.07590	1.1
106.06558	1.0
109.02890	3.9
121.06512	15.6
121.08612	1.1
127.03934	7.1
145.04927	1.2
184.93327	0.9
199.05994	0.9
222.04001	1.8
222.07590	4.8
252.07404	1.0
264.07050	0.9
348.17923	1.2
366.19128	4.5
384.06686	1.6
384.11063	5.9
384.15976	1.8
384.20636	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29112	7.0
55.05517	12.0
59.72203	6.6
65.03941	8.9
67.05504	11.2
69.07073	30.0
79.05492	43.1
80.56105	8.2
81.07063	42.7
89.41815	8.5
91.05500	14.7
93.07035	56.8
93.10128	7.0
94.06534	16.5
95.04976	17.5
95.08622	39.9
105.07040	100.0
107.08590	46.3
108.08097	12.4
109.06518	13.3
109.10164	32.6
110.06049	17.3
117.07043	15.1
119.08578	77.0
120.08097	9.1
121.10130	47.6
129.06923	11.8
131.08568	77.8
132.08087	14.9
133.10130	80.2
134.09622	8.6
135.11662	16.0
137.05972	14.8
138.05542	9.6
143.08524	56.4
145.09087	9.0
145.10135	73.8
147.11711	11.4
150.05479	9.2
155.08620	9.1
156.09355	14.9
157.10152	79.8
158.09637	13.0
158.10876	13.5
159.11652	51.0
161.09651	9.7
169.10095	35.1
171.11676	84.1
173.13329	64.1
183.11674	16.1
185.13278	47.5
187.14886	16.5
193.05003	12.0
197.13242	20.1
197.40970	11.4
199.14870	36.3
207.11821	10.2
211.14841	19.0
213.16589	8.9
221.13376	13.9
233.13275	8.4
283.16785	79.1
306.22226	31.3
339.23126	41.1
350.21240	11.4
352.19153	15.0
362.09189	8.6
366.09854	17.8
384.10614	39.3
384.21667	50.3
387.90411	8.0
406.98355	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
55.37001	0.9
67.05239	0.9
67.05515	14.9
69.07070	4.3
79.05498	5.9
81.07071	14.7
83.08644	1.2
87.87334	1.0
91.05483	1.4
93.07043	7.3
95.08620	13.0
103.05463	1.6
103.49258	1.0
105.07033	1.9
107.08593	5.1
109.10172	4.4
117.06977	1.5
119.08622	1.1
121.10113	1.7
123.04420	6.5
129.15958	1.0
131.04903	9.2
137.05984	16.5
145.06470	7.1
149.05984	40.7
151.07573	3.2
157.06526	1.4
159.08040	1.9
161.05978	13.3
163.07550	12.1
171.08057	1.1
173.05966	5.4
175.07523	7.0
175.83144	0.9
177.09116	1.5
187.07623	1.1
189.09099	2.0
203.10762	1.3
243.56694	0.9
250.36403	1.1
367.91757	1.1
384.28976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90305	0.6
55.05512	4.6
57.52924	0.7
59.72634	0.7
67.05508	16.6
68.44728	0.8
69.07054	3.7
69.95215	0.7
79.05507	6.0
81.07069	13.1
83.08602	1.2
91.05451	3.7
92.20943	1.0
93.07034	7.2
95.04935	0.9
95.08596	12.5
103.05439	1.5
105.07014	1.4
107.08606	4.0
109.10158	5.4
110.18931	0.8
117.07061	1.3
119.08576	0.8
121.10124	1.6
123.04461	7.0
131.04906	9.3
132.64012	0.9
133.10146	0.9
137.05949	12.9
145.06464	6.3
149.05980	41.0
151.07555	1.5
157.06471	1.0
159.08061	1.7
161.05954	12.3
163.07542	11.6
173.05989	5.5
175.07516	6.9
177.09085	1.4
185.09531	1.2
189.09076	3.2
201.09158	1.7
203.10651	1.4
203.86818	0.8
306.26367	1.0
384.28955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	4.1
62.30938	0.6
82.72369	0.6
87.72560	0.6
89.01778	0.6
91.89648	0.6
105.07037	0.8
110.59084	0.6
114.99561	0.6
119.08588	2.4
121.06479	1.1
121.10160	6.8
130.42421	0.7
133.10115	4.6
141.00218	0.6
145.89340	0.7
147.11697	12.3
175.11185	12.1
177.12840	0.9
193.05037	0.7
230.52423	0.7
259.22668	0.7
283.16931	100.0
339.23181	59.5
384.28491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32016	0.5
56.30280	0.6
57.07080	4.7
66.38459	0.5
67.05518	0.9
70.99618	0.6
80.55070	0.6
81.07079	0.8
95.08586	0.5
105.07077	0.8
107.08591	0.9
119.08578	1.2
121.06519	2.4
121.10139	7.8
127.29769	0.5
129.89471	0.5
132.17908	0.6
133.10092	4.6
147.11700	11.9
163.11217	0.7
175.11191	16.1
283.16931	100.0
339.23184	55.5
384.10437	0.9
384.29221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
57.07087	1.4
57.81365	0.9
67.05509	16.7
68.16301	0.8
69.03403	1.1
69.07063	5.8
77.01658	1.0
79.05496	6.6
81.07066	17.2
83.08598	2.4
91.05489	2.3
93.07047	10.4
95.08604	14.1
103.05462	1.6
105.07029	1.6
107.08592	6.2
108.04503	8.2
109.10168	7.4
109.84140	1.1
117.07014	1.1
121.10109	1.2
123.04427	8.1
126.05524	4.0
128.38655	1.1
131.04919	10.1
133.10118	1.1
135.11729	1.6
137.05969	16.6
145.06482	7.1
149.05975	44.7
151.07550	1.5
157.06445	1.5
158.08096	1.5
159.08054	1.7
161.06009	12.8
163.07542	12.1
173.05980	5.6
175.07535	11.1
189.09175	1.6
228.70433	1.3
268.26385	1.9
384.29004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90646	0.6
55.05511	4.0
67.05515	16.5
69.07070	3.7
79.05502	7.7
81.07061	10.0
83.08626	1.3
85.76418	0.7
91.05479	1.5
91.49221	0.8
93.07038	6.4
95.08620	11.8
103.05499	1.5
105.07034	1.4
105.79492	0.8
107.08587	4.1
108.04499	4.0
109.10163	4.3
115.66959	0.7
120.80494	0.8
121.10164	3.4
123.04441	6.1
126.05514	1.8
129.07042	0.8
131.04921	10.7
133.10152	0.8
135.11658	1.2
137.06006	13.8
145.06499	7.1
149.05991	35.1
151.07539	1.6
157.06538	0.9
159.08035	1.2
161.05948	10.2
163.07535	14.7
173.05965	5.3
175.07523	7.6
177.09111	1.6
187.07506	1.8
189.09160	1.5
195.77930	0.8
201.09091	0.9
203.10738	1.2
215.10738	1.4
384.25327	3.7
384.28976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99072	0.5
57.07077	5.0
60.82460	0.5
68.10430	0.6
73.04449	0.5
83.58298	0.6
93.90217	0.6
105.07045	0.9
107.08589	0.7
119.08562	1.3
121.06473	0.9
121.10126	9.0
133.10112	4.6
147.08025	0.5
147.11678	9.8
163.11217	0.8
175.11179	13.8
194.51492	0.5
249.88177	0.6
283.16913	100.0
339.23154	57.6
384.10538	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	4.8
76.75555	0.6
81.07069	0.9
92.21501	0.7
101.88334	0.8
105.07066	1.4
119.08605	1.4
121.10156	9.1
132.06113	0.7
133.10114	4.6
147.11690	8.2
147.52614	0.6
175.11176	12.8
177.12799	0.9
227.60245	0.8
274.93796	0.9
283.16916	100.0
332.39716	0.8
339.23181	54.4
384.10587	2.9
384.29001	1.1
384.34088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88906	0.8
107.75648	1.0
146.03169	1.0
148.44521	0.9
166.44728	0.9
179.43909	0.8
182.21538	0.8
197.15523	1.0
229.87170	0.9
274.33554	0.8
326.24533	0.9
384.30853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3083
Annotation	AX 048
Peak:m/z	Relative Intensity
52.74043	0.3
59.50171	0.3
68.91517	0.3
69.43913	0.3
83.49679	0.5
87.80444	0.4
103.74580	0.4
115.07564	0.4
119.08629	0.7
210.14229	0.4
224.14841	0.7
233.15428	0.6
240.06085	0.4
318.65762	0.4
343.22131	1.2
384.30844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3105
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
50.22049	1.5
55.05510	12.4
57.07072	7.4
65.65705	1.5
67.05502	15.7
69.07066	27.3
71.08624	1.5
72.15629	1.5
74.06062	3.1
77.33099	1.7
78.11854	1.6
79.05487	11.0
79.46716	1.8
81.07057	19.9
82.06582	35.9
83.08613	11.5
85.10174	2.3
90.05555	2.4
91.05485	2.3
93.07029	13.6
95.08592	22.8
97.10159	10.0
102.05553	4.2
105.07031	2.5
106.09810	1.7
107.08602	9.5
108.08089	2.9
109.10170	8.9
109.77155	1.6
117.93581	1.5
118.48670	1.7
119.08590	2.3
121.10122	7.1
122.09644	2.7
123.04433	2.1
123.11691	2.3
128.07092	18.7
128.70808	1.7
130.05006	4.3
130.21982	1.8
135.11752	2.4
137.05980	3.0
139.50160	1.6
142.08659	3.3
149.05997	14.1
154.08652	2.4
158.08153	2.8
166.08588	2.3
168.10176	1.8
168.85945	1.8
172.09682	1.8
283.16870	16.2
336.28915	13.0
339.23248	12.8
366.30011	100.0
378.04791	1.8
384.29395	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.326
Annotation	Buxaminone
Peak:m/z	Relative Intensity
55.02835	1.8
55.05515	8.9
59.23084	1.9
65.67171	2.0
67.05527	2.8
67.64554	2.2
69.07085	4.6
72.93740	2.2
81.07065	5.3
83.08617	3.5
85.95885	2.4
95.08629	4.7
105.07038	100.0
122.09662	38.4
123.11665	2.7
139.09915	2.2
174.05518	3.5
193.04953	3.7
193.66295	2.7
227.94386	2.9
270.14386	2.3
356.11801	3.2
366.09894	2.7
384.10669	4.9
384.32565	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	2.3
60.09455	1.0
63.43602	0.9
69.07056	1.8
71.08655	2.1
85.10168	1.0
86.09708	100.0
92.71407	1.0
95.08602	2.3
146.11761	44.3
306.42300	1.3
320.54242	1.3
324.32739	4.7
352.32022	2.3
356.11096	1.4
378.34793	1.3
384.10928	1.7
384.35080	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55743	1.5
53.58468	1.5
57.06824	3.1
57.07082	58.7
65.23893	1.7
69.03442	2.9
69.07059	3.7
71.08633	58.1
71.89023	1.8
81.07067	14.5
83.08617	6.5
85.10182	32.1
86.06068	100.0
87.04474	26.2
92.21498	2.2
95.08613	8.5
97.10180	8.6
99.11721	2.8
104.07103	59.0
105.58601	1.7
109.10151	7.9
123.11662	2.1
124.27152	1.7
137.13271	2.4
174.05519	2.0
181.29820	1.8
231.41370	1.8
263.27423	3.2
318.10001	1.9
384.10696	6.2
384.29526	4.0
384.34729	97.3
393.24673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16978	1.0
56.77581	0.9
59.82999	1.0
64.65858	1.1
69.99277	1.1
72.10811	1.1
78.55795	1.5
79.85319	1.2
143.01814	1.2
181.21568	1.5
198.79385	1.2
198.98454	5.2
223.98576	1.6
241.03032	1.4
261.03076	14.8
278.91870	23.5
295.93246	7.6
296.92929	100.0
302.91937	2.5
310.93494	1.6
319.94269	1.8
320.92896	29.9
328.93338	2.2
337.94016	2.9
338.89728	3.0
338.93970	88.1
347.89792	1.6
361.95724	11.1
362.03809	2.6
385.07486	4.9
396.94925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	7.9
75.25202	4.6
87.04475	5.6
92.30240	4.1
107.34978	4.2
108.04488	7.3
109.66460	4.4
120.08113	6.3
142.55737	4.7
172.26982	5.6
175.34409	4.9
176.18483	5.1
179.37743	4.4
225.17235	5.6
238.96431	4.3
301.11807	7.5
332.08963	6.9
349.14005	4.9
367.15091	5.7
385.08926	100.0
385.16681	6.3
385.25433	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
73.90891	1.3
82.97500	1.4
112.11750	1.5
119.04922	6.4
149.06017	19.0
150.06328	19.2
165.05467	1.8
167.41014	1.5
174.05556	2.2
176.04700	2.6
177.05235	3.0
193.04913	3.6
194.05223	2.6
323.07306	3.0
337.05106	1.9
339.10571	22.0
352.07602	7.3
367.10010	24.0
385.11075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74835	0.2
67.05508	0.3
77.15259	0.2
77.77777	0.3
79.05484	0.6
81.80545	0.2
85.17476	0.3
93.48402	0.3
108.05277	0.4
122.03617	0.6
123.03988	0.5
135.04425	2.7
136.04770	1.3
144.10657	0.3
150.03061	0.4
159.11655	0.3
163.03880	5.7
164.04259	5.0
175.03851	0.6
176.04254	0.4
178.02614	1.2
179.02989	0.3
180.75948	0.3
192.06604	1.1
193.04968	100.0
194.05304	94.3
195.05574	0.6
196.05724	0.4
340.83987	0.3
385.11108	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50303	0.3
65.03946	0.4
67.89948	0.3
67.99957	0.3
69.03443	0.4
69.73358	0.3
79.05483	0.9
81.07061	0.9
88.38170	0.3
91.05485	0.8
94.04193	1.9
105.07040	0.4
107.04935	2.1
109.06521	11.1
119.05021	0.4
119.06042	0.4
121.06479	0.6
122.03656	5.7
133.06488	0.8
137.05981	100.0
148.78314	0.3
149.05962	0.7
150.06294	0.4
151.03894	1.9
153.05585	0.4
161.06010	0.5
163.03917	0.6
167.07033	6.1
173.05968	0.5
175.04051	0.5
180.04099	0.9
181.08571	3.5
191.07011	1.5
193.08618	2.6
201.05414	0.4
203.06979	0.4
217.08566	0.7
228.04044	0.8
247.07478	0.6
261.07605	1.9
277.08441	0.5
307.09644	0.7
311.09055	0.5
317.09958	0.5
325.14340	0.6
337.29004	0.4
347.38425	0.5
367.11169	2.0
385.11786	5.6
385.16772	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
52.88046	1.2
59.00976	1.1
60.81372	1.5
62.74476	1.2
77.50795	1.5
97.59674	1.3
125.06040	1.7
129.07010	1.4
145.60796	1.4
159.08023	1.4
161.05954	1.4
166.06296	2.1
175.07593	5.4
181.08607	13.6
187.07652	4.9
193.32944	1.4
199.07626	1.5
207.08075	2.1
219.08131	2.2
220.08742	1.7
235.07626	2.8
236.08337	2.0
237.09074	1.6
247.07585	1.7
248.08330	1.9
249.09103	2.5
251.07083	5.4
254.09486	2.4
261.09128	1.9
263.07089	2.3
264.08014	6.5
265.08694	6.4
267.10248	3.3
277.08777	1.5
278.09265	1.5
279.10165	6.9
281.08118	3.0
282.08829	1.5
291.10126	1.6
293.08340	2.2
295.09567	3.4
297.11157	1.9
307.09875	22.6
309.11313	2.4
323.07809	1.9
324.08228	2.8
325.10944	6.0
337.05441	3.0
352.07794	4.9
355.11719	1.8
355.15710	6.2
367.10074	12.9
385.12857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
60.07854	1.3
63.24752	1.3
69.07064	1.4
75.89188	1.4
81.07057	3.2
83.05023	1.9
91.05518	1.7
107.08606	2.2
119.86976	1.6
125.06011	2.0
135.11678	2.2
137.06000	8.3
147.11752	1.8
150.13144	1.5
151.07529	1.8
153.05553	1.8
165.05467	6.9
166.05888	2.5
167.07057	2.4
181.04996	3.6
193.05098	1.9
218.07315	1.8
219.08130	2.6
225.09251	1.9
235.07558	2.7
237.09160	2.1
247.07515	3.1
249.09152	3.4
250.06354	2.1
261.00937	1.5
264.07816	6.6
265.08615	10.5
267.10361	5.6
277.08554	2.4
279.10208	6.9
281.08121	2.7
282.08783	2.9
293.07883	3.3
295.09619	3.5
307.09625	17.2
309.11197	2.5
320.09232	2.4
323.09100	2.7
325.10873	7.3
341.59930	1.7
353.10007	2.0
354.11139	1.8
357.13309	3.3
378.96140	1.6
385.12790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
55.01896	0.7
57.03439	1.0
60.61425	0.6
65.31292	0.6
69.07081	1.4
79.05479	0.7
80.05988	0.6
83.08595	0.8
93.03432	1.0
95.08570	0.8
97.06532	1.3
101.57677	0.7
103.15799	0.7
107.08592	0.9
111.04487	1.2
125.05999	2.9
135.11696	4.6
136.57451	0.7
137.05994	1.1
149.05960	0.8
151.03824	0.8
153.05495	1.7
161.05966	0.7
191.08453	1.1
195.08015	1.3
207.08063	1.3
209.03818	0.8
211.07510	1.2
218.07416	1.0
219.07956	2.7
220.08815	1.4
221.06079	1.3
221.09660	0.9
222.06705	0.9
223.07602	1.8
224.08272	1.1
225.09102	1.4
231.08063	0.9
235.07585	3.8
236.08267	1.7
237.09203	3.5
239.07129	1.2
239.10555	0.8
246.06856	0.9
247.07520	3.7
248.08345	2.7
249.09166	3.9
250.09941	1.1
251.07137	3.3
251.10284	0.7
252.07834	1.7
253.08577	3.0
261.09177	1.5
263.07108	2.9
264.07864	3.5
265.08701	5.2
267.06662	1.0
267.10147	3.6
269.11829	0.8
276.07635	1.0
277.08615	3.9
278.09436	1.4
279.06891	1.3
279.10153	5.7
281.08115	4.3
282.08871	3.1
283.09680	1.0
291.06534	0.9
292.07260	1.1
293.08096	1.4
293.17432	3.0
294.08929	1.0
295.09558	5.1
307.06192	1.4
307.09604	23.7
309.11200	3.4
310.08362	1.1
311.09146	1.1
311.18530	3.8
313.10831	1.0
323.09335	3.2
324.09967	0.9
325.10803	1.5
339.10989	1.2
367.10471	1.3
367.21060	3.7
385.12817	100.0
385.21509	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1465
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
62.84079	0.6
62.84507	0.6
67.03982	0.7
71.61476	0.7
72.73938	0.8
90.30259	0.7
91.34608	0.7
93.46553	0.9
119.04968	1.1
140.72342	0.8
147.04401	1.7
148.71791	0.8
161.05988	1.1
167.06972	0.9
172.47467	0.7
174.30843	0.8
175.03937	4.5
201.05502	1.4
207.06567	5.1
229.40651	1.0
299.07339	6.0
355.13779	1.3
382.28412	0.8
385.10458	4.0
385.14673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1468
Annotation	His Asn Asp
Peak:m/z	Relative Intensity
53.34537	0.7
57.23417	0.7
58.06601	3.5
63.04203	0.7
70.06593	1.4
70.29802	0.7
70.49391	0.8
81.90667	0.8
99.04478	0.8
118.06495	1.0
121.06501	1.2
137.05951	1.3
145.10219	0.9
159.11693	0.9
159.48970	0.8
160.07536	0.9
163.11119	1.6
167.07060	3.3
188.07097	3.0
205.12256	2.0
206.08170	5.9
291.93069	0.9
323.11096	1.0
337.09097	1.2
369.46765	0.9
385.14554	100.0
385.18439	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19923	0.5
70.06577	0.8
96.32908	0.6
99.04481	0.7
129.85658	0.7
174.91789	0.7
175.98625	0.6
194.04486	4.3
195.04852	6.2
222.03992	7.3
223.04343	14.5
271.57428	0.8
299.07236	0.9
355.09973	0.8
380.97968	0.7
385.10229	4.5
385.14658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66637	0.2
69.03419	0.3
74.63540	0.2
80.07684	0.2
81.03416	0.5
85.02895	0.6
93.04520	4.1
97.02898	0.3
121.03982	100.0
139.05013	5.2
172.64552	0.2
193.04987	0.3
223.10802	0.3
223.99750	0.2
241.03784	0.2
253.07553	0.4
265.08167	1.0
283.09268	4.2
293.09158	0.3
367.15375	0.4
385.11096	0.5
385.16071	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66637	0.2
69.03419	0.3
74.63540	0.2
80.07684	0.2
81.03416	0.5
85.02895	0.6
93.04520	4.1
97.02898	0.3
121.03982	100.0
139.05013	5.2
172.64552	0.2
193.04987	0.3
223.10802	0.3
223.99750	0.2
241.03784	0.2
253.07553	0.4
265.08167	1.0
283.09268	4.2
293.09158	0.3
367.15375	0.4
385.11096	0.5
385.16071	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53850	1.4
61.88354	1.4
63.23728	1.5
64.25176	1.6
67.05536	2.3
91.05491	2.6
101.43336	1.7
105.07041	9.1
109.61684	1.5
115.05476	2.5
129.07008	10.4
132.05695	1.8
133.06479	6.9
136.05191	3.1
147.08063	2.9
148.05244	2.6
153.05502	1.9
155.04907	2.2
159.08011	13.1
161.05989	14.5
166.06233	19.4
169.08575	2.4
172.05167	2.1
175.07536	33.5
181.08595	100.0
187.05927	3.1
187.07547	36.6
191.06993	2.1
199.07591	10.4
205.08716	3.0
249.09125	3.0
261.09027	3.8
264.11404	2.4
277.08554	8.9
289.08511	2.4
291.09946	2.0
292.10782	2.2
293.08200	3.2
293.11670	4.0
295.13263	10.1
304.11121	1.9
305.08023	1.9
305.11642	3.9
308.10355	2.8
309.11194	7.3
321.11298	11.8
323.09247	2.0
323.12689	7.0
324.13599	7.0
325.10703	1.9
335.12692	2.4
336.13300	7.1
337.12387	3.6
340.13040	8.4
353.08652	1.7
355.11713	4.4
355.15424	32.2
367.09296	1.9
367.15372	11.7
385.13159	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40389	0.9
79.05512	1.1
83.86362	0.9
84.33098	0.9
90.42722	1.0
91.05473	2.5
105.07024	7.0
107.04983	1.2
107.08549	0.9
115.05437	1.8
119.08604	2.3
129.07013	8.4
131.04947	2.2
133.06511	5.9
136.05234	1.9
137.05969	2.4
147.08044	4.4
148.05183	6.0
151.07518	2.0
151.31940	1.0
154.06238	4.0
156.05634	1.0
159.08017	10.8
160.05161	1.9
161.06017	9.4
166.06219	17.4
167.06979	1.9
172.05185	4.1
175.07538	29.7
177.08952	1.0
181.08591	100.0
187.07539	36.2
190.06218	4.4
191.07104	2.4
192.35353	1.1
199.07545	9.7
205.08623	5.8
217.08542	1.2
223.06087	1.7
233.09544	1.7
249.09082	3.9
261.09064	4.1
263.10669	4.2
264.11407	1.3
265.08624	1.9
277.08698	3.1
281.11749	1.8
289.08704	2.2
291.10242	3.9
292.10907	5.4
293.08197	2.0
293.11798	4.3
295.13245	6.5
303.10107	1.3
304.10886	1.3
305.07907	1.0
305.11703	2.4
306.08871	1.0
307.09647	1.5
307.13153	1.4
309.11160	8.4
321.11276	10.5
323.12711	5.7
324.13501	6.6
325.10577	2.1
335.12750	2.0
336.13538	8.0
340.12988	5.6
355.15384	29.4
367.15421	9.6
385.11627	4.7
385.16647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69973	1.0
55.05514	1.5
56.98692	0.9
67.05506	4.8
67.83046	1.1
79.05497	2.8
81.03418	2.1
81.07042	5.6
83.04942	1.5
85.02907	2.0
91.05467	6.1
92.21622	1.6
93.07053	5.7
95.04951	2.2
95.08596	2.8
97.10134	1.6
99.04510	1.4
105.07044	8.0
107.04991	1.5
107.08587	2.0
109.10150	4.6
115.05496	1.6
119.08579	6.3
121.06547	1.4
121.10134	2.4
125.09665	1.5
129.06982	10.9
131.04945	2.5
131.08601	1.4
133.06488	8.1
147.08086	2.5
147.11711	1.6
148.05190	6.4
151.07581	1.5
154.06313	2.1
159.08015	11.5
160.05228	1.7
161.06010	12.2
166.06258	13.9
167.06931	2.1
169.08618	2.2
172.05194	1.9
175.07539	25.0
181.08595	100.0
182.08870	1.4
187.07535	31.4
190.06224	2.2
191.07115	2.2
192.07779	1.4
193.12193	1.8
199.07503	11.6
205.08633	6.5
207.87749	1.5
211.13423	1.6
219.07953	1.5
223.09714	1.8
233.09729	1.6
244.05734	1.3
246.31934	1.2
249.09001	1.8
261.09021	1.4
262.09860	1.9
263.10599	5.3
264.11456	2.0
277.08557	2.3
280.11014	1.8
289.08578	2.5
291.10254	2.6
292.10867	5.0
293.08151	2.9
293.11514	2.3
293.21231	1.3
295.13269	6.9
303.10175	1.5
305.11752	6.1
307.09021	1.3
308.09689	1.5
309.11157	7.7
321.11261	6.9
323.12521	6.3
324.13651	4.3
325.10846	2.9
334.10934	2.1
335.12631	2.5
336.13419	7.2
337.10513	2.2
340.12918	5.9
341.94049	1.3
353.09546	1.7
355.15421	28.7
367.11185	2.8
367.11929	2.9
367.15314	9.0
385.12173	10.8
385.26410	10.4
389.73621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84381	1.5
61.28694	1.7
69.43921	1.6
75.59201	1.7
91.05470	3.3
92.21546	2.0
105.07017	9.3
119.04865	1.6
119.08538	1.8
129.07011	8.2
133.06502	8.6
136.05167	2.3
137.05972	2.3
147.08055	1.9
148.05237	5.7
151.07556	1.7
154.06183	1.6
156.05713	2.2
159.08011	11.3
161.05948	11.7
166.06264	19.5
167.07117	1.8
172.05147	3.9
175.07513	29.6
181.08583	100.0
187.07550	41.0
190.06299	2.8
191.06950	2.0
199.07561	9.3
201.05540	2.1
205.08586	8.2
247.07625	1.8
265.08502	2.3
277.08575	2.8
286.10229	1.7
290.09341	1.9
291.10025	2.4
292.10825	3.5
293.08218	2.7
293.11566	2.6
295.13071	3.8
297.11139	1.8
304.10794	2.1
305.11505	3.5
308.05347	1.7
309.11273	11.6
321.11267	11.2
323.07434	2.9
323.12793	7.0
324.08325	3.1
324.13510	9.3
325.10422	2.4
335.12769	2.7
336.13272	9.7
337.05231	11.1
340.13040	8.4
352.07715	8.2
352.90573	1.7
354.14642	2.4
355.15378	28.7
367.09995	9.1
367.15341	14.2
385.10718	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
79.58866	7.1
81.07037	8.3
95.08577	8.3
106.20308	8.1
165.09053	10.6
175.07530	18.6
177.05507	11.0
181.08647	87.1
187.07527	17.2
199.07562	10.7
229.15375	8.5
245.04707	100.0
253.17326	10.5
267.06744	17.0
285.07870	9.4
309.05884	33.7
309.11227	13.6
320.39371	9.8
324.13104	9.2
329.06592	33.9
337.05173	14.3
338.06161	32.4
339.10391	12.2
344.09000	14.2
349.14392	19.7
353.08371	42.2
355.11566	11.2
355.15427	12.7
367.10233	11.3
367.15561	31.3
385.11276	94.1
385.16391	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
64.81107	1.1
68.75453	0.9
68.81483	1.0
69.07053	1.6
74.32864	1.0
79.05472	1.4
81.05816	1.0
81.07064	4.6
93.07007	1.4
95.04987	1.1
95.08595	1.8
96.08134	2.1
105.07021	1.1
107.08593	1.2
109.10119	1.5
118.06536	25.4
119.07320	23.7
120.08091	2.4
124.07592	20.0
131.07324	1.6
131.08405	1.1
133.10136	1.2
143.08577	1.3
145.10147	1.7
146.06009	63.8
146.09644	1.7
147.06796	57.1
147.07977	2.0
148.07564	8.7
160.11197	2.5
174.09129	19.1
175.09894	1.3
183.10364	1.1
188.10713	5.8
193.05016	6.6
194.05331	8.2
198.12848	1.5
200.10669	2.2
202.08664	11.4
204.10237	1.1
226.12332	2.6
227.11818	2.2
228.12575	5.9
232.09676	26.4
243.11388	8.2
243.14908	7.5
246.07549	1.7
255.11298	5.1
256.12079	23.4
257.12885	10.2
260.09167	100.0
262.10699	4.4
269.69391	1.2
271.14389	42.5
272.15216	5.5
326.66983	1.1
367.16418	4.2
385.12363	4.0
385.17569	76.6
385.22876	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.7
79.05511	2.1
81.07068	5.2
91.05436	2.2
93.07059	4.9
95.04950	1.6
95.08591	2.3
99.05289	1.3
105.07026	2.0
107.08600	1.4
109.06500	1.4
109.10166	1.3
114.32497	1.3
118.06555	30.3
119.07321	25.4
119.08566	1.7
120.08100	6.4
124.07617	19.3
128.12595	1.3
137.09573	2.2
143.08548	2.2
146.06018	68.6
146.09674	2.1
147.05676	2.9
147.06808	67.0
147.07919	2.3
148.07574	7.3
151.18669	1.2
158.09698	1.8
159.11673	2.1
160.07578	2.8
160.11212	5.2
174.09174	22.4
176.07013	1.3
188.10796	5.8
188.70059	1.2
200.10829	2.1
202.08643	13.0
203.09464	1.9
218.08151	1.6
226.12221	3.0
228.12543	6.1
232.09694	33.7
243.14900	3.0
255.11348	2.6
256.12112	10.7
257.12866	13.6
260.09180	100.0
262.10745	7.2
271.14407	36.7
272.15204	3.3
367.16434	5.5
385.12354	3.1
385.17538	81.3
385.23489	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84576	0.7
59.64477	0.7
62.89222	0.8
65.47371	0.7
67.41878	0.7
68.04999	0.7
69.71107	0.7
70.06583	1.2
76.00177	0.8
86.06067	19.1
91.05515	0.8
93.07050	0.9
97.02872	6.4
98.06062	16.5
102.05587	0.8
103.05444	1.2
105.28088	0.8
106.27766	0.8
109.02853	0.9
110.06080	1.1
117.47780	0.8
121.06503	100.0
127.03206	1.1
138.09146	23.7
182.08112	13.9
184.69005	0.9
185.09807	3.7
186.10597	3.6
194.08121	20.5
194.62799	0.8
212.09210	17.5
213.08664	2.1
223.07098	1.7
230.10225	38.3
231.03905	0.8
240.87262	0.9
241.08237	1.3
259.09183	1.6
265.16589	0.9
283.43814	0.9
323.01950	1.1
341.16339	4.4
385.11926	5.1
385.15866	4.9
385.20050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84576	0.7
59.64477	0.7
62.89222	0.8
65.47371	0.7
67.41878	0.7
68.04999	0.7
69.71107	0.7
70.06583	1.2
76.00177	0.8
86.06067	19.1
91.05515	0.8
93.07050	0.9
97.02872	6.4
98.06062	16.5
102.05587	0.8
103.05444	1.2
105.28088	0.8
106.27766	0.8
109.02853	0.9
110.06080	1.1
117.47780	0.8
121.06503	100.0
127.03206	1.1
138.09146	23.7
182.08112	13.9
184.69005	0.9
185.09807	3.7
186.10597	3.6
194.08121	20.5
194.62799	0.8
212.09210	17.5
213.08664	2.1
223.07098	1.7
230.10225	38.3
231.03905	0.8
240.87262	0.9
241.08237	1.3
259.09183	1.6
265.16589	0.9
283.43814	0.9
323.01950	1.1
341.16339	4.4
385.11926	5.1
385.15866	4.9
385.20050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19566	3.9
57.07078	5.1
60.05646	5.8
60.08180	5.7
62.42762	3.8
62.88184	3.9
63.90336	3.5
66.43793	3.7
67.05499	4.7
69.07072	68.6
81.07060	84.5
90.81496	4.1
92.21494	4.9
93.07042	11.2
95.08602	9.4
97.10112	4.4
107.08618	19.1
109.10165	39.2
115.21507	5.0
119.08583	6.6
121.10195	6.2
123.11742	4.9
135.11694	9.1
142.54578	4.7
159.11726	6.4
161.05942	5.0
185.09570	5.1
201.09099	10.5
203.10715	41.0
206.28304	6.3
209.67850	4.8
213.09088	7.5
217.12366	6.7
221.07997	5.2
227.10666	23.8
229.08582	6.3
229.12134	7.1
229.38184	6.1
231.10153	51.1
233.07892	5.0
241.08539	9.1
245.15353	11.6
255.13795	5.8
263.12741	8.3
269.12646	5.0
269.15335	37.8
271.16895	8.7
283.13153	6.6
297.14944	43.6
301.14453	7.0
302.14700	10.1
303.16257	5.1
307.15109	5.2
317.26163	6.1
325.21643	32.2
329.17441	100.0
353.21164	54.9
362.17081	5.2
367.22720	10.0
385.23788	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.237
Annotation	Lehmannolol
Peak:m/z	Relative Intensity
55.05517	3.0
57.07075	6.4
60.04526	1.9
61.48606	1.3
67.05505	2.8
67.15343	1.3
69.07067	19.3
72.04485	1.4
79.05499	1.8
79.54078	1.4
81.07053	17.5
83.08607	3.1
93.07029	7.9
95.08598	15.7
105.07018	5.6
107.08599	8.1
109.06512	2.7
109.10153	12.0
119.08572	6.9
121.10119	3.1
123.11662	3.4
133.06427	1.7
133.10135	3.1
135.11679	11.6
137.13249	3.4
143.08569	3.3
145.10077	3.0
147.04396	3.2
147.08046	2.4
147.11700	2.6
149.13223	2.9
157.10101	3.0
159.08043	2.7
159.11662	2.6
161.05974	19.2
161.09653	3.3
169.10118	1.8
171.08064	3.6
171.11638	2.3
173.09668	11.2
175.07533	2.6
181.10027	2.2
183.11728	2.6
185.09563	6.9
187.07573	7.5
187.11160	10.2
189.09085	24.3
189.12772	2.0
195.11693	3.1
197.09744	1.5
197.13362	3.1
199.07530	2.4
201.09062	9.8
201.12721	6.4
203.10739	2.3
203.21428	1.8
207.11682	1.7
209.13264	14.2
211.11246	1.9
213.09081	7.0
213.12764	3.4
215.10750	3.0
215.14232	2.8
217.08577	11.0
223.11293	2.1
223.14807	9.1
225.12827	6.3
227.10620	6.5
227.14233	11.2
229.12184	3.3
237.12749	8.3
239.14333	2.7
241.12167	2.4
241.15913	3.3
243.13808	2.5
245.11806	2.5
249.11205	6.9
251.14299	11.5
251.17902	1.9
255.13683	7.9
260.15063	1.7
261.11249	1.8
265.15799	2.6
265.19531	6.4
269.15350	7.9
275.17917	2.1
279.13574	2.0
283.16959	2.8
283.20645	3.1
293.18985	16.2
297.14899	7.6
307.20517	6.9
311.16464	3.6
311.20096	6.6
325.21628	6.7
326.26895	2.2
329.17407	3.7
335.19974	3.7
353.21066	38.0
367.22693	24.0
385.18839	3.6
385.23703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.0
55.05512	9.7
55.12804	1.4
57.03462	1.3
57.07074	3.2
60.52302	1.5
60.82522	1.2
67.05508	17.2
69.03414	7.2
69.07074	8.0
69.72295	1.5
71.04997	2.7
71.08624	15.6
72.31078	1.5
73.66787	1.4
75.54834	1.6
79.05508	14.1
81.07067	25.4
83.05002	2.2
83.08640	3.0
85.06546	1.8
91.05463	9.5
93.07037	27.9
95.04961	6.8
95.08605	18.8
96.05744	2.6
96.89707	1.4
97.02898	8.5
97.06522	7.5
97.10147	2.4
99.04438	1.6
99.08080	7.4
105.07027	10.3
107.04942	2.0
107.08608	12.2
109.06493	11.9
109.10160	6.4
109.78990	1.6
111.04436	14.7
113.05960	3.3
119.08597	8.1
121.06516	14.4
121.10141	14.8
123.04436	9.9
123.08080	7.0
123.11658	2.9
131.08600	16.9
133.10126	2.8
135.08070	3.4
135.11671	3.3
137.09586	2.1
143.08620	1.7
145.10126	2.5
145.62091	1.5
147.08060	1.8
147.11691	3.0
149.09630	10.9
151.11192	2.6
157.10081	2.0
159.11621	1.9
161.13298	3.4
163.11189	3.4
165.12755	16.2
167.10629	3.2
172.89627	1.6
173.13266	2.1
175.14774	1.5
177.12766	2.2
177.85255	1.8
181.12219	99.3
189.12802	2.6
191.14339	1.6
207.13855	1.6
226.87340	1.6
258.95435	1.6
277.21738	2.4
286.10220	1.8
289.21591	7.7
293.21091	27.2
293.73358	1.6
305.21045	27.7
351.20926	3.6
351.25278	100.0
354.59531	1.6
367.24789	15.4
385.23471	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.01870	9.4
55.05514	33.4
55.33858	2.7
57.03432	4.4
58.24091	2.6
62.54853	2.2
62.83091	2.1
67.05508	35.4
69.03427	4.4
69.07072	10.9
71.08619	23.9
79.05482	16.2
81.03427	16.7
81.07062	32.9
83.04975	15.3
83.08617	36.2
85.02869	3.5
91.05471	16.3
93.07050	26.5
95.04971	36.8
95.08604	15.8
97.06541	4.5
97.10159	35.8
99.04463	2.7
99.08089	13.8
105.07020	16.7
107.04992	3.1
107.08581	36.6
109.06479	4.2
109.10159	24.4
110.29042	2.4
111.04443	28.1
111.08089	16.4
117.07016	4.7
119.08567	9.5
121.06495	3.7
121.10119	17.3
125.09636	40.8
131.08580	12.5
133.10080	10.7
135.08022	6.2
135.11690	20.0
137.09520	2.9
145.10115	13.8
147.11693	5.5
149.09607	15.4
151.11235	3.2
153.09132	10.9
153.12790	10.0
155.10683	3.9
156.95604	3.4
157.10051	2.8
159.11676	5.8
163.11153	37.7
173.13152	3.1
177.05476	3.3
177.12714	3.1
181.08667	4.6
181.12215	14.6
189.11198	14.5
190.04976	2.5
191.10722	2.8
193.04881	6.2
194.05298	11.0
195.13760	5.2
223.13353	5.9
227.12807	10.8
231.56181	3.1
245.13867	2.8
254.16776	2.6
275.20084	33.3
283.15359	4.2
293.21109	100.0
349.23822	10.2
367.24759	70.6
367.29080	2.5
385.25858	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87129	1.1
55.05518	2.9
57.03438	2.7
63.89364	1.0
67.05504	6.1
69.07063	11.3
70.61562	1.1
79.05483	8.8
81.03430	3.0
81.07071	9.8
83.04997	1.9
83.08624	5.2
86.06091	1.5
91.05468	1.8
93.07037	8.6
95.04986	1.8
95.08608	8.2
97.06538	6.7
97.10175	7.0
105.07027	1.6
107.04950	1.6
107.08598	12.3
109.10149	5.3
111.04476	1.4
111.08044	2.0
111.11757	4.1
114.09137	2.3
119.08569	2.7
121.10171	10.3
123.08067	1.7
125.09628	8.1
133.10124	1.8
135.08096	3.0
135.11703	23.8
138.12750	1.6
139.11220	2.4
142.12256	4.8
145.10110	2.3
147.11676	1.6
149.09639	2.6
152.10704	2.0
152.14362	21.7
153.09142	2.5
153.12701	11.7
156.13803	1.6
163.03970	1.2
163.11163	2.4
169.13353	1.7
170.11774	28.0
170.15387	9.6
180.13824	6.0
181.08679	8.7
181.12167	1.6
183.14954	1.8
184.13344	28.5
187.07504	1.6
188.12848	2.1
197.16534	7.9
198.14894	100.0
201.16013	3.1
215.17540	28.5
216.15773	1.7
293.21042	2.3
309.09579	5.4
323.11093	5.7
324.11810	4.9
333.24109	2.3
339.10513	1.8
339.14301	8.7
350.26944	1.9
355.15540	1.5
367.11240	1.7
367.25522	6.8
367.29810	2.2
368.24179	2.6
385.10870	4.4
385.14410	16.4
385.26526	24.1
385.30679	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39474	1.4
52.18928	1.2
57.07077	1.8
60.04529	11.7
62.78897	1.3
71.08636	2.2
76.73692	1.3
87.05603	11.3
88.03989	6.3
95.08577	2.4
97.78419	1.4
98.79642	1.2
102.05549	100.0
126.50197	1.3
130.04919	2.7
147.07625	15.9
150.40906	1.3
182.37138	1.4
201.24039	2.0
329.06656	2.3
340.28568	5.3
368.27942	20.5
385.30179	8.4
385.36935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60776	1.5
55.05495	2.1
57.07080	26.3
67.05498	8.7
68.20633	2.0
69.07059	2.6
70.02945	3.3
71.08634	20.4
71.36889	1.5
74.02441	13.8
75.00847	1.8
79.96922	1.6
81.07061	10.4
83.08623	9.2
85.10181	15.5
87.05589	69.1
88.03990	49.6
95.08588	19.9
97.10175	6.9
98.02428	1.9
99.00819	2.8
107.92381	1.7
109.10140	10.9
116.03457	13.5
122.74478	1.8
123.11687	2.7
133.06079	100.0
137.13229	2.1
147.53935	1.9
213.79785	2.0
252.07877	1.8
253.25166	7.8
270.27908	17.7
275.87622	1.8
311.14764	1.6
329.06305	3.2
368.27930	78.7
385.30438	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98418	0.8
54.31871	0.7
55.00101	0.7
56.05032	1.1
56.65242	0.9
57.07083	7.1
67.05495	1.1
69.07073	1.5
71.08627	4.6
81.07051	3.8
83.06105	16.4
83.08598	1.8
84.04505	44.8
85.10191	2.1
95.08597	5.5
101.07140	8.1
102.05524	0.9
109.10162	1.7
123.54912	0.8
129.06593	31.6
130.04994	100.0
147.07645	25.1
211.04314	0.9
215.36960	0.8
217.97937	0.8
239.23689	4.1
256.26306	7.6
329.06555	2.0
344.08969	1.3
368.27853	3.0
385.30490	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	20.0
57.03431	10.4
57.07086	29.5
57.72128	1.4
61.28526	1.7
67.05500	12.7
69.07069	34.2
71.08633	15.8
74.22612	1.4
79.05486	2.3
81.07067	18.4
83.08621	23.7
84.08153	4.0
85.06580	1.8
85.10182	8.8
92.21475	2.1
93.07043	9.4
94.11655	1.6
95.08613	21.0
97.06505	3.5
97.10171	22.6
106.05052	2.4
107.08592	7.4
109.10155	8.6
111.11735	3.2
121.00810	1.4
121.10143	9.4
130.08672	2.4
135.11703	8.6
139.11169	1.9
148.83119	1.6
149.13260	2.3
153.12744	2.2
159.69096	1.8
166.89624	1.9
179.75003	1.8
191.00066	2.3
242.19533	1.7
293.28525	2.3
333.27441	1.7
367.32089	9.8
385.28287	3.5
385.33173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
56.46418	1.3
57.07079	5.5
58.06594	2.5
58.19550	1.2
67.05513	2.1
69.07065	2.3
71.08631	2.3
81.07054	2.0
83.08617	10.7
84.16248	1.3
93.07039	2.6
95.08604	5.8
99.04458	3.0
110.09705	2.5
111.08083	11.3
125.16290	1.6
128.10748	2.5
131.27881	1.5
135.11633	1.6
138.09126	2.7
139.07564	14.1
154.09523	1.9
156.10173	7.1
182.11804	3.1
183.10156	3.0
200.12828	5.7
207.08063	1.6
212.23727	93.1
228.23138	1.7
230.24779	85.6
286.07526	1.6
321.21201	8.2
339.22406	6.4
344.22281	1.7
367.33145	27.5
368.31567	33.2
385.34247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50419	0.7
54.47001	0.6
55.05519	0.8
57.07086	1.6
58.06593	2.7
67.05495	0.6
69.07090	0.7
69.25569	0.6
71.08618	1.1
76.59769	0.6
83.08625	3.0
93.07056	1.1
94.59200	0.7
95.08647	0.9
103.65981	0.6
111.08086	3.8
121.06511	1.0
128.10690	1.4
138.09145	1.1
139.07562	5.8
154.12186	0.6
156.10205	4.5
183.10159	3.6
200.12828	9.2
212.23724	100.0
221.42905	0.6
230.24767	15.0
345.28067	0.6
368.31586	1.1
378.19562	0.7
385.34256	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52209	0.2
78.48493	0.3
79.05489	0.5
81.60606	0.3
88.37662	0.3
91.05515	0.3
105.07024	0.3
107.04982	0.4
135.04395	0.6
149.05991	0.4
163.03917	6.0
165.05363	0.4
175.03883	0.4
177.05455	1.3
178.02628	0.7
192.06535	2.0
193.04977	100.0
195.06563	0.5
213.52635	0.3
269.07431	0.3
280.10529	0.3
285.07605	0.5
296.09573	0.3
307.08890	0.4
308.05685	1.6
308.10110	0.4
315.11789	0.4
320.08997	0.5
321.60645	0.4
324.09137	0.5
329.11493	0.5
335.68732	0.3
336.05057	2.0
340.12338	0.4
359.08633	0.4
368.07587	1.3
368.11597	0.5
370.10254	0.4
386.07990	1.2
386.12622	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.123
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43493	1.6
67.05499	2.1
69.07063	2.5
81.07072	2.4
86.06079	2.1
91.05487	2.3
93.07052	3.5
105.07037	2.0
105.95024	2.0
109.10150	23.4
121.06500	9.6
127.11185	4.6
129.25232	2.2
132.06599	3.2
149.05988	3.2
165.12772	2.6
174.05518	36.9
176.07053	19.6
181.04959	15.5
193.04912	2.8
197.11761	8.7
202.04962	2.5
204.06593	32.9
232.06094	13.3
251.09515	8.0
256.06308	2.7
265.07410	14.6
279.08749	2.7
280.09747	27.4
282.07507	2.5
293.06320	2.3
294.07605	10.5
295.08197	3.2
296.09174	7.0
307.08319	3.2
308.09158	68.5
308.12466	2.6
309.10049	15.3
310.07135	11.5
312.19659	2.1
324.08643	14.5
325.09433	8.7
340.11826	100.0
340.18744	7.5
353.95340	2.1
354.09714	84.8
358.12689	4.3
368.22952	2.7
386.12152	9.7
386.19458	6.5
386.23517	14.6
386.28073	5.7
404.56412	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13537	0.7
72.37880	0.7
76.81873	0.9
94.35738	0.9
96.57051	0.8
116.25254	0.9
121.84284	0.8
122.37701	0.8
135.28954	0.8
137.67694	0.8
149.05994	1.4
160.99782	0.8
176.07066	36.1
181.04958	0.9
182.50262	1.0
189.11044	0.9
193.04979	1.3
204.06560	58.3
250.08542	1.4
251.09346	10.4
254.08061	1.5
265.07327	17.2
278.08151	1.5
279.08813	1.7
280.09680	34.2
282.07635	1.6
293.06808	1.7
294.07587	11.7
295.08386	1.8
296.09171	3.8
307.08401	3.4
308.09155	81.5
309.09933	18.2
310.07211	11.4
310.10495	1.6
323.11594	1.4
324.08783	10.0
325.09479	12.5
340.11789	100.0
358.12891	5.5
386.12338	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67653	1.5
69.98329	1.7
91.05457	3.1
95.08591	1.8
109.10164	2.7
115.48870	2.3
121.06474	8.5
135.04439	3.1
142.15033	2.0
147.04427	8.1
149.05989	9.7
151.07576	4.5
159.04388	8.7
163.03844	2.6
165.05373	2.3
167.06984	2.1
175.03888	100.0
179.06993	3.8
180.04166	30.0
192.06549	15.2
195.06525	66.1
266.08215	14.0
266.11279	2.2
294.07590	4.2
310.10779	3.9
333.45404	2.3
340.11746	31.7
350.10187	54.3
354.09555	9.5
368.11295	83.4
386.12305	45.8
386.22964	2.4
386.27170	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04099	0.4
53.82247	0.5
54.61806	0.4
66.22727	0.4
71.09754	0.5
83.89436	0.5
91.05485	6.4
95.04967	3.3
96.39919	0.5
117.54170	0.6
119.04942	7.8
131.12061	0.5
136.05237	1.1
137.05943	2.4
150.06792	3.7
151.03928	1.9
151.07538	28.1
165.05476	4.2
176.07043	4.0
177.05481	0.8
178.06241	2.6
179.07111	2.5
191.03453	0.6
192.06532	2.6
193.04974	6.0
208.06010	5.1
209.04478	0.6
210.20296	0.5
220.05949	0.6
273.02161	0.5
279.09097	0.6
296.09048	2.0
307.08524	1.0
308.09103	3.7
309.10086	0.8
310.07056	5.7
321.06384	0.6
322.07242	0.7
324.08710	3.1
325.09430	4.9
326.10352	2.7
336.12332	0.7
338.06601	11.2
340.11798	25.4
353.09000	3.4
354.09808	1.2
358.12839	3.4
368.11240	22.0
386.12323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63602	0.5
58.06618	8.3
81.00327	0.6
81.03429	0.7
81.67117	0.6
81.75378	0.7
82.43649	0.5
97.02897	0.8
98.06034	0.9
108.04527	4.5
119.04938	2.6
126.05524	3.6
147.04416	3.7
149.05884	0.7
155.60188	0.7
164.04498	0.6
175.03889	10.2
204.73697	0.6
207.06567	14.4
237.07762	1.0
238.08629	1.2
239.09441	3.9
241.10948	1.3
250.08687	2.7
251.05759	1.2
265.08527	2.9
266.08084	5.7
267.08926	1.0
268.09650	0.7
270.11234	1.6
278.08084	1.4
280.09479	0.8
282.08054	1.1
294.07581	20.7
295.08499	5.6
296.10245	3.2
297.09961	2.9
298.10733	0.8
308.09183	2.5
310.07129	5.3
310.10791	3.0
312.08749	0.9
322.07092	38.3
322.10867	1.5
323.07724	0.8
326.10101	2.8
335.80618	0.8
337.09464	2.8
340.11771	2.6
354.09579	6.9
368.11124	17.4
386.12292	100.0
386.19366	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58040	0.6
66.40188	0.7
66.60728	0.6
67.05525	0.6
91.05439	0.7
93.07057	0.8
109.10200	0.8
121.06493	6.7
137.06088	0.7
140.16148	0.7
149.05956	1.1
176.07066	44.4
193.04976	1.0
201.17122	0.8
204.06557	100.0
243.84489	0.8
308.09116	3.3
358.12833	1.5
386.12601	1.1
386.23489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56569	0.5
58.06588	0.8
69.03423	0.6
71.90070	0.5
87.86828	0.5
88.55424	0.6
89.81869	0.5
108.04474	1.2
119.04926	0.9
126.05473	3.3
147.04399	3.0
174.34573	0.6
175.03873	8.3
207.06526	11.8
239.09389	4.3
241.10812	0.7
250.08617	8.6
255.08945	0.6
266.08060	7.2
270.11139	1.1
275.47968	0.7
278.08099	5.4
279.05243	0.8
279.08743	0.8
282.07660	1.0
284.09021	0.6
294.07550	20.0
295.08359	9.9
296.09451	0.7
297.09869	1.2
298.10669	0.7
307.93063	0.6
308.09106	1.3
310.07336	1.1
310.10706	14.9
312.08618	2.9
312.12152	1.0
322.07086	30.8
323.07718	0.9
324.08588	1.4
326.10184	3.7
337.09457	2.4
340.07947	0.9
340.11777	1.4
354.09750	7.4
357.07224	0.6
368.11130	16.8
370.09454	0.6
386.12268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56569	0.5
58.06588	0.8
69.03423	0.6
71.90070	0.5
87.86828	0.5
88.55424	0.6
89.81869	0.5
108.04474	1.2
119.04926	0.9
126.05473	3.3
147.04399	3.0
174.34573	0.6
175.03873	8.3
207.06526	11.8
239.09389	4.3
241.10812	0.7
250.08617	8.6
255.08945	0.6
266.08060	7.2
270.11139	1.1
275.47968	0.7
278.08099	5.4
279.05243	0.8
279.08743	0.8
282.07660	1.0
284.09021	0.6
294.07550	20.0
295.08359	9.9
296.09451	0.7
297.09869	1.2
298.10669	0.7
307.93063	0.6
308.09106	1.3
310.07336	1.1
310.10706	14.9
312.08618	2.9
312.12152	1.0
322.07086	30.8
323.07718	0.9
324.08588	1.4
326.10184	3.7
337.09457	2.4
340.07947	0.9
340.11777	1.4
354.09750	7.4
357.07224	0.6
368.11130	16.8
370.09454	0.6
386.12268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49369	0.8
58.06578	1.0
59.98278	0.6
62.77837	0.6
67.14503	0.6
87.55297	0.6
94.10162	0.7
110.82962	0.7
116.04923	0.8
138.55206	0.7
144.04358	1.5
147.04350	0.8
148.07555	1.2
161.05931	0.9
165.05470	7.9
176.07050	12.1
177.07806	0.9
178.08559	3.3
207.06456	1.2
209.04460	1.0
239.09430	7.5
250.08418	1.0
254.08061	1.6
266.08112	1.2
267.08987	1.0
268.09515	0.8
275.56699	0.9
279.08774	1.4
281.10379	1.4
282.07791	1.2
282.11008	1.0
294.07651	4.7
295.08374	2.6
296.09143	4.0
296.12640	1.5
306.07916	1.0
307.08179	0.8
308.08966	3.6
309.10062	2.4
310.07050	13.6
310.10678	3.5
312.12173	3.2
322.06979	1.5
323.07755	1.1
324.08563	9.1
325.09439	6.8
326.10172	1.4
335.07794	1.0
336.08603	3.0
338.06531	35.9
340.11783	19.0
342.13229	1.4
350.10355	1.1
352.07999	4.6
353.08939	13.0
354.09470	1.3
368.11267	100.0
386.12115	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44474	0.5
51.51343	0.5
52.01110	0.6
53.91968	0.5
58.06611	30.9
62.63240	0.7
64.08773	0.6
79.22935	0.6
96.03822	0.6
107.73756	0.7
147.11743	0.6
161.05952	1.0
165.05437	5.4
173.41907	0.7
175.03804	1.0
176.07108	12.3
178.08562	0.7
181.05080	0.7
209.04448	1.1
224.16492	0.9
225.07590	0.8
239.09399	4.4
242.08206	0.8
249.09106	4.3
270.07571	2.7
270.11136	0.8
277.08499	8.2
278.09015	0.9
279.08942	0.9
281.10748	1.2
282.07632	3.6
283.08676	0.9
284.09091	3.8
294.08884	8.4
295.08957	1.7
296.05875	1.2
296.09341	4.9
297.10034	1.0
298.10837	2.8
308.09143	2.8
309.11234	24.7
310.07111	10.4
310.10812	3.1
311.07855	15.7
312.08707	3.8
322.07114	0.8
324.08719	8.3
325.09451	5.6
326.11172	4.6
335.07803	3.7
336.08667	3.1
337.09506	1.1
338.06601	29.4
340.11758	12.3
341.13818	8.4
343.10355	1.6
350.09894	1.1
352.08084	1.5
353.08859	10.0
354.17032	3.1
368.11304	90.1
371.09860	1.5
386.12283	100.0
386.19656	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15554	0.7
55.97839	0.7
59.66158	0.8
69.03442	1.1
70.06567	1.1
86.06067	1.5
86.09688	1.5
87.04462	1.0
97.02873	1.2
97.52094	0.9
98.06046	1.2
99.04382	0.9
114.30710	0.9
121.06499	14.7
122.06832	5.6
132.10175	1.7
138.09154	1.8
164.07074	10.9
167.92499	0.9
182.80505	0.9
188.09073	1.2
194.08041	1.3
206.10133	3.8
224.12769	1.0
230.10245	1.4
231.10503	1.6
231.27913	1.0
250.08557	1.9
254.08478	1.7
265.07324	6.7
267.08734	1.3
268.09659	1.7
278.08136	1.6
279.08978	1.8
280.09592	8.3
292.06247	1.3
292.09637	6.5
293.06830	53.8
294.07581	13.7
295.08496	3.7
307.08295	1.6
308.09155	81.9
309.10043	1.5
310.10672	1.9
311.07947	1.4
312.08716	8.3
326.10022	1.5
336.08572	8.2
350.10074	1.9
354.09888	1.8
368.11456	4.7
368.15720	1.3
386.12335	100.0
386.17599	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92315	1.2
55.24232	1.1
62.22139	1.3
62.74815	1.4
104.04395	1.6
110.54449	1.5
138.42593	1.6
149.05948	1.7
176.07054	23.3
193.05009	1.9
204.06560	41.6
204.08272	2.5
247.24670	1.8
250.15504	1.7
251.09435	10.5
252.45387	1.6
265.07306	18.0
278.08157	2.7
280.09750	26.2
293.06564	2.1
294.07651	11.7
295.08533	2.3
307.08533	11.2
308.09186	79.5
309.09879	12.8
310.07040	8.3
322.10883	2.8
323.11401	2.5
324.08673	8.2
325.09518	10.7
334.10663	1.9
340.07724	3.7
340.11789	100.0
358.12894	3.5
368.09686	2.4
383.23724	1.8
386.06705	5.2
386.11502	9.1
386.19962	2.9
390.11615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
79.99217	8.2
93.37499	11.4
137.06017	10.5
172.48730	10.4
173.33821	14.6
195.98994	10.9
202.47662	11.3
230.53528	10.2
250.19237	10.5
296.08536	11.7
310.10626	21.1
322.10718	90.5
323.11322	26.1
333.29449	12.3
336.12381	100.0
340.11923	19.6
352.38715	12.4
386.12180	85.0
386.16452	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44474	0.5
51.51343	0.5
52.01110	0.6
53.91968	0.5
58.06611	30.9
62.63240	0.7
64.08773	0.6
79.22935	0.6
96.03822	0.6
107.73756	0.7
147.11743	0.6
161.05952	1.0
165.05437	5.4
173.41907	0.7
175.03804	1.0
176.07108	12.3
178.08562	0.7
181.05080	0.7
209.04448	1.1
224.16492	0.9
225.07590	0.8
239.09399	4.4
242.08206	0.8
249.09106	4.3
270.07571	2.7
270.11136	0.8
277.08499	8.2
278.09015	0.9
279.08942	0.9
281.10748	1.2
282.07632	3.6
283.08676	0.9
284.09091	3.8
294.08884	8.4
295.08957	1.7
296.05875	1.2
296.09341	4.9
297.10034	1.0
298.10837	2.8
308.09143	2.8
309.11234	24.7
310.07111	10.4
310.10812	3.1
311.07855	15.7
312.08707	3.8
322.07114	0.8
324.08719	8.3
325.09451	5.6
326.11172	4.6
335.07803	3.7
336.08667	3.1
337.09506	1.1
338.06601	29.4
340.11758	12.3
341.13818	8.4
343.10355	1.6
350.09894	1.1
352.08084	1.5
353.08859	10.0
354.17032	3.1
368.11304	90.1
371.09860	1.5
386.12283	100.0
386.19656	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63602	0.5
58.06618	8.3
81.00327	0.6
81.03429	0.7
81.67117	0.6
81.75378	0.7
82.43649	0.5
97.02897	0.8
98.06034	0.9
108.04527	4.5
119.04938	2.6
126.05524	3.6
147.04416	3.7
149.05884	0.7
155.60188	0.7
164.04498	0.6
175.03889	10.2
204.73697	0.6
207.06567	14.4
237.07762	1.0
238.08629	1.2
239.09441	3.9
241.10948	1.3
250.08687	2.7
251.05759	1.2
265.08527	2.9
266.08084	5.7
267.08926	1.0
268.09650	0.7
270.11234	1.6
278.08084	1.4
280.09479	0.8
282.08054	1.1
294.07581	20.7
295.08499	5.6
296.10245	3.2
297.09961	2.9
298.10733	0.8
308.09183	2.5
310.07129	5.3
310.10791	3.0
312.08749	0.9
322.07092	38.3
322.10867	1.5
323.07724	0.8
326.10101	2.8
335.80618	0.8
337.09464	2.8
340.11771	2.6
354.09579	6.9
368.11124	17.4
386.12292	100.0
386.19366	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52209	0.2
78.48493	0.3
79.05489	0.5
81.60606	0.3
88.37662	0.3
91.05515	0.3
105.07024	0.3
107.04982	0.4
135.04395	0.6
149.05991	0.4
163.03917	6.0
165.05363	0.4
175.03883	0.4
177.05455	1.3
178.02628	0.7
192.06535	2.0
193.04977	100.0
195.06563	0.5
213.52635	0.3
269.07431	0.3
280.10529	0.3
285.07605	0.5
296.09573	0.3
307.08890	0.4
308.05685	1.6
308.10110	0.4
315.11789	0.4
320.08997	0.5
321.60645	0.4
324.09137	0.5
329.11493	0.5
335.68732	0.3
336.05057	2.0
340.12338	0.4
359.08633	0.4
368.07587	1.3
368.11597	0.5
370.10254	0.4
386.07990	1.2
386.12622	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54826	0.4
51.09270	0.5
58.23881	0.6
71.20749	0.6
82.81889	0.5
89.31979	0.6
90.88071	0.6
145.86981	0.5
156.61086	0.6
186.07756	5.4
246.85532	0.6
289.35431	0.7
312.10052	1.1
328.09857	1.4
339.09003	0.7
340.09644	28.5
340.21289	0.8
341.10583	0.7
342.11255	18.2
343.12103	2.7
356.09137	4.5
356.27710	0.6
368.20999	7.2
370.10745	28.0
371.11548	14.8
386.13858	100.0
386.21078	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54826	0.4
51.09270	0.5
58.23881	0.6
71.20749	0.6
82.81889	0.5
89.31979	0.6
90.88071	0.6
145.86981	0.5
156.61086	0.6
186.07756	5.4
246.85532	0.6
289.35431	0.7
312.10052	1.1
328.09857	1.4
339.09003	0.7
340.09644	28.5
340.21289	0.8
341.10583	0.7
342.11255	18.2
343.12103	2.7
356.09137	4.5
356.27710	0.6
368.20999	7.2
370.10745	28.0
371.11548	14.8
386.13858	100.0
386.21078	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68179	0.5
53.03967	0.6
55.01878	1.0
55.05533	0.7
58.06608	2.6
60.04517	0.6
69.03432	1.2
70.06593	2.9
72.04507	2.8
80.05019	4.4
81.03424	7.0
84.04515	0.9
84.08136	0.9
85.02897	1.1
91.05491	3.5
97.02887	1.2
98.06062	6.6
99.04459	3.2
103.87832	0.6
108.04484	29.6
109.02869	6.3
119.04935	12.3
121.06526	4.6
124.03898	0.7
126.05518	33.6
127.03926	4.7
134.06006	0.7
144.06586	2.6
144.10138	0.6
147.04401	18.5
147.05464	1.1
152.87454	0.6
157.03947	1.2
175.03900	67.6
183.14871	0.9
196.89055	0.8
197.41028	0.7
203.90634	0.7
207.06523	100.0
255.08952	0.8
270.11252	10.9
298.10806	5.1
336.57837	0.7
350.12323	6.2
351.10684	7.1
368.13449	29.1
386.07843	1.2
386.12125	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20017	0.4
67.89410	0.5
85.02892	3.0
87.04466	0.8
93.09431	0.5
97.02869	0.8
99.04451	2.0
108.04473	6.8
121.06472	1.0
122.05975	1.1
123.04412	0.6
126.05511	7.6
134.05988	1.1
141.81187	0.5
164.07059	100.0
224.09105	7.9
243.77644	0.5
281.51834	0.5
326.12259	4.6
386.14459	44.9
395.39572	0.5
397.68564	0.5
403.54874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68179	0.5
53.03967	0.6
55.01878	1.0
55.05533	0.7
58.06608	2.6
60.04517	0.6
69.03432	1.2
70.06593	2.9
72.04507	2.8
80.05019	4.4
81.03424	7.0
84.04515	0.9
84.08136	0.9
85.02897	1.1
91.05491	3.5
97.02887	1.2
98.06062	6.6
99.04459	3.2
103.87832	0.6
108.04484	29.6
109.02869	6.3
119.04935	12.3
121.06526	4.6
124.03898	0.7
126.05518	33.6
127.03926	4.7
134.06006	0.7
144.06586	2.6
144.10138	0.6
147.04401	18.5
147.05464	1.1
152.87454	0.6
157.03947	1.2
175.03900	67.6
183.14871	0.9
196.89055	0.8
197.41028	0.7
203.90634	0.7
207.06523	100.0
255.08952	0.8
270.11252	10.9
298.10806	5.1
336.57837	0.7
350.12323	6.2
351.10684	7.1
368.13449	29.1
386.07843	1.2
386.12125	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
58.06606	87.4
61.43154	0.5
65.86846	0.5
71.14762	0.5
91.45198	0.5
106.14478	0.5
206.08200	1.0
220.09731	0.7
227.73180	0.7
237.09123	2.1
255.08829	1.4
265.08630	4.2
266.05807	0.8
270.11227	1.0
280.07205	0.7
281.08112	3.8
282.08719	0.8
296.10086	0.7
297.11243	1.0
309.07571	11.1
312.08649	2.7
323.09073	6.9
326.07632	6.6
328.09467	2.6
341.10187	30.7
342.82050	0.7
343.11847	3.6
386.11780	8.7
386.16049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1596
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
50.78735	1.1
56.69093	1.3
61.12530	1.5
70.06591	18.1
81.03423	2.6
92.61357	1.3
109.02869	2.3
112.07604	19.5
120.39445	1.4
129.13007	1.4
140.07117	3.5
145.02876	3.4
158.08089	2.1
177.05495	8.2
202.05753	2.0
207.06494	1.7
209.69067	1.7
243.45093	1.4
246.07346	1.4
279.08975	2.5
282.11267	3.4
284.11276	1.9
296.09146	2.2
297.09961	37.6
300.08759	2.7
308.09280	7.1
311.11575	6.2
312.12268	84.2
324.08649	29.3
338.10440	1.8
339.11041	15.7
340.11865	1.8
354.13309	3.1
356.11438	6.8
368.17038	2.2
386.12299	6.5
386.16049	100.0
404.91165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1595
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
58.06611	84.5
70.82816	0.5
85.02928	0.9
86.41980	0.6
104.01189	0.5
111.49643	0.5
115.75101	0.6
125.35349	0.6
127.40701	0.6
134.06003	1.0
145.06477	0.6
189.12808	0.8
190.08572	0.7
190.88232	0.6
217.56873	0.7
221.52698	0.7
223.26546	0.7
235.07513	0.8
237.09143	2.7
247.07768	0.9
257.18491	0.6
265.08633	3.2
266.05811	0.9
277.05069	0.9
281.08121	2.8
291.06668	1.0
296.10477	2.6
297.11313	0.8
305.80368	0.6
308.06848	1.1
309.07541	10.2
312.08972	0.7
323.09113	8.4
326.07867	8.6
341.10211	28.4
341.14182	1.1
343.11771	2.8
386.12003	6.3
386.16064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1599
Annotation	6-hydroxy-allocryptopine
Peak:m/z	Relative Intensity
58.06599	4.1
58.53318	0.8
61.49492	0.7
69.03416	0.9
73.02907	0.8
85.02897	4.7
89.63814	0.6
91.05502	1.0
97.02894	1.8
104.42236	0.8
119.04944	1.3
127.03932	0.8
127.20786	0.7
130.17140	0.7
130.18137	0.8
137.05971	1.3
145.04979	1.2
151.07549	17.9
176.07127	0.8
177.05409	5.2
179.07011	5.5
190.08646	9.2
191.09401	11.2
192.10156	3.9
197.12990	0.7
205.04991	1.7
206.08168	1.0
208.06407	0.8
208.09694	12.8
224.05544	1.3
249.08951	0.9
265.08563	1.3
277.08823	1.4
281.08029	0.9
281.11679	0.9
297.10626	3.3
304.07220	0.7
309.11179	3.7
312.12415	6.4
319.09668	2.8
324.08627	2.9
335.11243	1.0
336.12509	0.7
338.10175	1.1
355.11688	7.6
368.14865	8.8
386.15967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
50.89291	0.7
52.56368	0.8
71.95337	0.8
93.61787	0.7
105.41920	0.9
114.66666	0.9
125.65852	0.8
162.66899	0.8
169.25415	1.0
180.40126	0.9
197.65002	0.9
253.07959	0.9
278.70877	0.9
279.09216	1.8
281.10605	0.9
282.11292	3.6
297.09961	26.1
297.13193	1.2
300.08203	1.7
308.08957	2.9
308.87445	0.9
311.11481	5.5
312.12283	49.0
324.08673	17.7
326.13870	0.9
339.11050	10.2
354.13565	1.8
356.11334	4.4
386.15546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1596
Annotation	Gloriosine
Peak:m/z	Relative Intensity
50.05996	1.4
50.37325	1.4
56.54516	1.8
63.51453	2.0
109.42553	1.8
165.01817	8.2
176.07076	11.0
179.06999	2.4
189.07928	2.2
190.08647	32.1
192.10228	3.1
204.06628	17.1
204.10272	2.5
205.11031	2.4
219.00868	2.1
256.91089	2.1
263.09348	2.6
282.11261	2.7
294.11276	3.9
295.08401	3.2
297.13562	7.6
308.12805	39.0
309.13290	2.4
310.10837	8.0
313.14346	3.3
322.07413	2.8
323.07846	2.8
324.12250	3.4
325.13089	17.2
326.10522	3.1
326.13922	47.0
328.11725	32.8
340.15219	2.6
342.13306	13.9
343.14142	13.8
354.09729	100.0
354.14029	4.6
358.16516	99.7
368.15005	8.4
386.07697	2.6
386.12442	6.2
386.16006	81.1
386.23886	2.0
386.25467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.81500	0.4
55.19671	0.5
58.06617	1.0
61.94987	0.4
76.60151	0.4
85.62084	0.5
96.11181	0.5
123.08038	0.6
137.78955	0.6
170.31783	0.6
224.46251	0.5
233.08385	2.1
236.06911	0.5
238.08636	1.0
248.07141	0.6
250.08501	4.4
251.09419	2.4
262.08627	6.1
264.06625	3.2
265.07236	0.6
266.08109	19.5
278.08099	1.0
279.08884	46.6
279.27811	0.6
280.06555	0.8
280.09686	20.1
289.07489	0.8
290.08328	0.6
292.09702	0.9
293.10696	0.6
294.11234	28.9
295.12173	2.9
296.09198	1.1
297.09766	0.8
298.10745	2.3
304.09573	0.9
306.07501	4.2
307.08371	7.0
311.11560	4.0
312.12302	7.3
321.09967	3.0
322.10715	5.8
324.08664	9.3
326.13812	1.2
336.12399	2.0
338.10175	7.5
339.06894	1.1
339.10995	31.8
354.13419	6.9
361.39273	0.5
371.13757	2.2
386.16003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1601
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
51.79374	0.6
58.06610	1.7
65.65359	0.7
68.69926	0.7
77.70036	0.6
92.62356	0.6
131.57297	0.7
147.33430	0.7
175.99207	0.9
188.86545	0.7
212.34183	0.8
224.03622	1.1
227.09497	1.0
251.05730	0.9
266.11795	0.9
279.09058	1.6
281.10583	0.8
281.19547	0.9
282.07950	0.8
282.11261	5.0
296.09256	3.2
297.06863	1.0
297.09940	48.2
300.08670	3.7
308.09180	4.4
311.11557	8.8
312.12286	85.6
324.08630	27.6
331.64124	0.7
333.34659	1.1
339.10968	13.7
354.13318	3.5
356.11316	5.8
386.16000	100.0
392.05280	0.8
399.04761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Romucosine H
Peak:m/z	Relative Intensity
51.45248	0.4
52.74827	0.4
53.56088	0.3
58.90276	0.4
63.69409	0.4
146.03015	0.6
153.31647	0.5
161.71861	0.6
217.19925	0.5
227.09320	0.7
255.08969	0.6
265.10971	0.8
266.08179	0.6
270.91580	0.5
279.08960	2.6
280.09729	0.7
281.10477	0.8
282.08209	0.8
282.11246	5.5
283.08344	0.5
294.11417	0.9
296.09216	2.8
297.09961	42.0
300.08920	3.7
300.11838	0.5
308.09204	4.9
310.10764	0.6
311.11469	8.4
312.12283	83.1
314.10190	0.9
324.08655	28.0
338.10245	2.4
339.11063	15.0
354.13272	6.5
356.11249	5.0
386.15982	100.0
390.03384	0.5
392.64026	0.5
404.56561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1593
Annotation	Gloriosine
Peak:m/z	Relative Intensity
60.64162	1.5
69.70988	1.8
83.40910	1.9
90.05325	1.9
98.19850	1.8
103.64658	1.7
106.07401	2.0
121.06519	3.6
133.67044	2.0
141.11884	1.7
147.04478	2.1
149.06020	2.8
159.04408	3.4
162.56371	2.1
165.09117	2.4
174.05611	2.7
175.03893	54.0
175.05247	2.0
180.04243	8.4
192.06593	10.5
192.10283	8.9
195.06520	37.3
205.11034	4.6
220.09787	10.9
263.09268	3.3
266.08240	3.4
282.11017	12.9
294.11292	3.0
295.08578	3.4
296.09534	2.4
296.12704	2.7
297.13617	2.3
308.12714	28.1
309.10037	8.3
309.13806	2.4
310.10745	49.8
323.11658	8.4
324.08755	5.7
324.12506	14.2
325.13171	17.6
326.13922	41.6
328.11789	38.4
328.78586	2.0
338.13849	2.2
340.11771	79.3
342.13452	4.4
343.14243	19.1
350.10132	21.5
352.11841	2.6
358.12186	2.2
358.16504	65.7
368.11270	37.3
368.15198	4.2
386.12146	20.2
386.16183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.9
114.98820	0.5
176.99707	0.6
233.08336	0.8
250.08612	2.1
255.09120	0.8
262.08670	2.6
264.06592	1.0
266.08170	9.3
268.09695	0.8
279.08911	20.1
280.09732	8.9
282.11276	2.8
292.09720	0.8
294.11200	11.6
296.05853	0.5
296.09198	2.6
297.09967	25.6
300.08670	2.1
306.07510	1.0
307.08405	2.9
308.09238	3.5
311.11472	5.7
312.12302	48.0
321.09872	1.8
322.10800	2.7
324.08652	19.0
336.12634	0.6
338.10284	3.5
339.11026	20.1
354.13467	5.4
356.11343	4.2
368.11218	0.6
371.13770	0.7
386.16016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1596
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
51.25974	0.5
52.57915	0.5
53.32351	0.5
69.08099	0.7
82.00069	0.7
86.52694	0.7
108.08468	0.8
130.29115	0.7
225.96898	0.8
251.09277	1.0
266.08206	5.2
279.08881	12.2
280.09683	3.1
282.11209	7.2
294.11264	7.2
296.09213	1.7
297.09903	30.6
298.10709	1.5
300.08749	2.9
305.20319	0.8
307.08844	0.9
308.09238	3.0
311.11520	7.2
312.12262	67.3
322.10950	0.9
322.30670	0.8
324.08704	24.4
327.11090	0.9
338.10156	1.2
339.10959	21.2
342.13412	1.0
354.13272	5.9
356.11362	2.9
386.16010	100.0
405.94400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63990	0.4
58.06612	2.3
64.57976	0.5
70.06572	0.6
94.85695	0.6
161.41823	0.7
165.30656	0.8
175.03902	0.8
207.06511	0.8
239.23030	0.6
255.08803	0.9
265.11017	1.3
266.08328	0.8
268.09799	0.8
279.08954	4.1
281.10559	0.7
282.07983	1.2
282.11285	4.8
296.09418	2.6
297.09943	40.9
300.08755	4.1
308.09186	5.5
310.10855	3.5
311.11530	9.6
312.12268	87.8
322.07083	1.0
324.08630	25.5
324.12381	0.8
326.13843	0.7
338.10303	0.7
339.11057	15.8
354.13293	6.3
356.11255	7.3
368.11307	0.9
386.12436	7.4
386.16125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35427	0.6
82.56721	0.6
87.64416	0.6
88.35111	0.7
88.47746	0.6
97.06229	0.6
158.33589	0.7
228.97992	0.8
230.17915	0.7
262.08603	1.3
266.08163	3.4
279.08865	8.8
280.09680	4.3
282.08014	0.9
282.11362	4.2
294.11279	5.7
296.09232	3.0
297.09943	31.8
298.10544	1.1
300.08636	2.8
308.09244	2.9
310.06940	0.8
311.11417	7.8
312.12277	70.4
324.08609	24.0
329.60178	0.8
338.10193	1.3
339.10992	17.4
354.13300	5.3
356.11334	4.1
386.15985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13890	2.0
53.10185	1.9
54.87309	2.1
56.05040	2.6
58.75224	2.2
61.02941	4.6
62.06103	9.3
68.89196	2.3
69.03429	11.5
74.06081	35.6
75.43370	2.3
80.50473	2.4
81.03423	2.9
85.02904	43.2
86.06067	54.9
87.04449	2.7
91.03937	2.3
97.02901	22.5
103.03985	3.3
107.69028	2.4
109.02881	3.0
126.05491	2.5
127.03928	12.1
128.07071	13.2
140.07065	11.0
142.08702	3.0
145.04980	4.4
158.08101	19.5
170.08113	12.8
188.09177	56.7
190.59077	2.6
194.85753	2.6
198.12425	4.1
206.10231	100.0
288.08734	4.8
350.14331	3.1
368.04233	4.0
368.11252	4.3
368.15497	86.7
386.04910	13.1
386.16235	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42892	0.7
57.38557	0.7
78.85849	0.9
91.05486	1.7
105.07046	6.2
106.07384	4.0
115.05413	0.9
119.08564	1.3
120.08909	1.3
121.06529	1.1
122.45352	1.0
129.07086	7.1
130.07286	6.8
131.04948	1.2
133.06496	5.0
134.06819	5.1
136.05179	1.9
137.05966	1.1
145.06522	1.1
147.08055	4.0
148.05215	4.8
148.08421	2.1
149.05605	4.7
154.06285	4.8
155.04878	1.6
155.06544	1.7
159.08034	12.6
160.08380	9.8
161.06000	12.1
162.06305	12.4
163.07555	1.3
166.06252	19.4
167.06566	12.7
169.08577	1.9
170.08885	1.5
172.05217	4.9
172.08327	1.4
173.05515	4.9
175.07556	24.3
176.07869	28.0
181.08600	100.0
182.08948	76.4
187.05960	1.6
187.07541	27.2
188.07884	32.4
191.06726	4.1
192.07423	1.7
193.08266	1.8
194.09012	1.4
196.64206	0.9
199.07628	7.9
200.07887	15.8
205.08559	4.9
206.08943	7.4
206.94916	1.0
217.08572	1.2
218.09003	1.3
224.10124	1.2
238.09471	1.2
245.08852	0.9
248.07912	1.7
249.08969	1.7
250.09520	4.8
260.08054	1.0
261.08777	0.9
262.09366	4.7
263.10391	1.7
264.11172	6.6
265.11804	4.0
266.08951	4.2
274.09378	1.2
277.08551	1.8
277.11588	2.0
278.08936	5.4
279.09958	1.3
280.62469	0.9
281.11298	1.2
282.12164	4.1
290.09048	6.5
291.09857	1.5
292.10519	5.2
293.11374	10.7
294.08435	3.7
294.12030	8.4
296.13547	11.6
298.11462	1.6
304.10565	1.6
305.11273	4.6
306.08713	1.9
306.12070	9.9
307.09344	1.2
307.13025	1.0
308.10123	1.4
308.13654	1.6
309.10968	5.9
310.11530	13.9
322.11557	15.1
323.12589	1.2
324.13153	12.8
325.13928	12.8
326.11099	4.9
336.13095	6.2
337.13815	11.9
338.11142	1.2
340.12775	1.8
341.13425	9.9
355.15323	3.6
356.15726	57.0
365.98294	1.0
368.09253	1.1
368.15744	22.6
386.16647	4.0
386.97717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	0.8
72.04554	0.7
81.03413	1.6
84.76159	0.7
85.02917	4.0
86.06052	1.6
87.04459	4.9
91.05489	0.9
93.07034	3.9
97.02879	2.0
98.06059	4.4
99.04438	1.0
99.58439	0.8
103.05466	1.5
104.07107	3.9
107.04984	0.9
108.04490	1.6
109.02868	1.3
116.07091	1.5
118.40364	0.8
121.02858	15.8
121.06500	100.0
122.06055	1.3
124.07563	0.9
125.04730	1.6
126.05505	8.0
127.03905	1.4
128.07050	1.0
129.80740	0.9
129.89200	0.9
138.09210	1.0
138.75240	0.9
140.86870	0.8
144.06581	1.8
145.02902	1.0
148.07501	2.8
150.09149	1.6
152.07054	0.9
156.06546	0.7
163.03870	6.7
164.07149	1.2
166.08641	0.9
170.08089	0.8
174.07646	1.8
176.07127	3.9
178.08629	1.7
182.08115	3.6
194.08084	6.1
202.13374	0.9
209.04439	1.9
212.09209	3.4
219.58386	0.9
224.12735	1.0
230.10194	16.0
246.11415	1.5
248.11273	5.2
282.13287	4.0
295.87402	0.9
350.12399	7.7
350.15793	6.8
368.13190	6.3
368.17123	33.8
386.12860	11.4
386.18079	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	0.8
72.04554	0.7
81.03413	1.6
84.76159	0.7
85.02917	4.0
86.06052	1.6
87.04459	4.9
91.05489	0.9
93.07034	3.9
97.02879	2.0
98.06059	4.4
99.04438	1.0
99.58439	0.8
103.05466	1.5
104.07107	3.9
107.04984	0.9
108.04490	1.6
109.02868	1.3
116.07091	1.5
118.40364	0.8
121.02858	15.8
121.06500	100.0
122.06055	1.3
124.07563	0.9
125.04730	1.6
126.05505	8.0
127.03905	1.4
128.07050	1.0
129.80740	0.9
129.89200	0.9
138.09210	1.0
138.75240	0.9
140.86870	0.8
144.06581	1.8
145.02902	1.0
148.07501	2.8
150.09149	1.6
152.07054	0.9
156.06546	0.7
163.03870	6.7
164.07149	1.2
166.08641	0.9
170.08089	0.8
174.07646	1.8
176.07127	3.9
178.08629	1.7
182.08115	3.6
194.08084	6.1
202.13374	0.9
209.04439	1.9
212.09209	3.4
219.58386	0.9
224.12735	1.0
230.10194	16.0
246.11415	1.5
248.11273	5.2
282.13287	4.0
295.87402	0.9
350.12399	7.7
350.15793	6.8
368.13190	6.3
368.17123	33.8
386.12860	11.4
386.18079	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1957
Annotation	Muramine
Peak:m/z	Relative Intensity
57.12871	0.4
58.06596	0.3
61.56528	0.4
89.55717	0.4
93.09201	0.4
102.37884	0.6
113.17413	0.4
136.05180	0.7
138.06799	0.6
144.99786	0.5
150.06767	3.1
151.07521	5.8
153.09117	2.5
163.07594	1.0
165.09117	17.3
166.06218	2.8
175.07526	0.8
176.06235	0.6
177.09120	0.8
181.08553	5.3
189.09155	1.2
189.90886	0.6
190.08624	9.3
191.07054	2.8
193.10983	2.1
194.11819	1.2
204.10185	50.4
205.10976	14.5
206.11736	3.8
208.13383	0.6
222.11259	13.0
263.10693	0.6
268.10959	1.9
283.13275	0.6
291.10184	4.6
294.12463	1.0
296.14078	2.5
297.11395	0.5
299.12692	1.0
305.11703	0.9
306.12445	12.5
307.09607	0.8
308.13907	0.6
312.13611	0.8
315.15851	0.6
320.09238	0.6
322.11935	2.3
323.12741	0.5
324.13602	1.1
325.14536	0.9
327.15936	3.1
336.15997	5.0
337.13965	0.5
338.13873	1.0
352.15292	4.1
353.16205	0.7
355.15366	1.0
366.17023	0.7
368.18576	6.2
386.19586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.196
Annotation	Muramine
Peak:m/z	Relative Intensity
50.78871	0.5
53.68710	0.5
57.10884	0.6
59.97653	0.5
66.79697	0.6
71.69924	0.5
81.95741	0.6
89.03553	0.7
89.86403	0.6
101.47964	0.5
142.23468	0.5
161.08325	2.8
178.08630	0.6
189.07903	2.3
207.08989	5.5
220.09737	0.6
220.65289	0.6
221.10185	0.6
222.11247	100.0
249.47585	0.6
263.06046	0.6
292.28989	0.6
386.19629	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10408	0.6
58.37901	0.5
59.12697	0.6
68.19226	0.5
69.81474	0.6
72.66869	0.6
73.21892	0.5
113.78649	0.6
132.07700	0.7
147.26799	0.6
161.08348	3.3
161.32352	0.7
178.08746	0.6
189.07890	3.7
205.51488	0.7
207.08955	5.7
220.09720	0.8
222.11241	100.0
364.60071	0.7
386.19598	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1961
Annotation	Muramine
Peak:m/z	Relative Intensity
50.37012	0.8
53.17794	0.8
81.76554	0.9
102.72788	0.9
150.06764	1.5
151.07538	5.0
153.09097	1.5
165.09108	16.6
166.06186	1.4
181.08595	6.4
189.09207	1.2
190.08638	7.4
204.10193	44.2
205.11003	13.6
206.11707	2.3
222.11267	13.7
291.09988	1.3
294.12387	1.5
306.12561	10.5
322.11786	1.9
327.15875	1.5
336.15826	4.0
347.89236	1.2
352.15314	2.3
353.16138	1.6
368.18643	5.4
386.14978	14.2
386.19574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1961
Annotation	Muramine
Peak:m/z	Relative Intensity
55.48674	1.3
59.43810	1.0
67.94058	1.0
70.48408	1.0
72.30850	0.9
80.01447	0.9
137.04379	1.0
151.07533	4.9
153.09128	1.6
165.09085	18.1
166.06241	1.9
181.08548	5.3
189.09261	1.5
190.08601	7.9
191.07014	1.7
194.11679	1.3
204.10188	49.2
205.10945	13.7
206.11714	2.4
208.13512	1.4
222.11241	11.5
252.24644	1.1
291.10056	1.3
294.12485	1.7
294.17361	1.2
306.12436	13.8
327.15857	1.6
336.12311	1.7
336.15988	4.5
337.16876	1.2
338.14084	1.7
352.15445	2.5
368.18399	8.7
386.19592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1957
Annotation	O-Methylthaicanine
Peak:m/z	Relative Intensity
56.10301	0.5
58.93776	0.5
61.39658	0.5
63.11757	0.5
78.04227	0.5
84.32615	0.5
159.72818	0.6
161.08336	1.1
162.70979	0.6
189.07878	3.6
207.08858	7.7
220.09731	1.0
222.11249	100.0
225.99507	0.6
248.29631	0.5
386.19617	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
88.63024	0.3
90.69786	0.4
122.76794	0.3
145.15567	0.3
151.07526	0.7
165.09161	0.4
190.08577	0.8
191.09367	2.3
204.10269	0.8
206.11763	100.0
236.09158	0.5
255.12489	0.5
308.58844	0.4
375.14352	0.4
386.19675	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1958
Annotation	Muramine
Peak:m/z	Relative Intensity
56.80732	0.2
57.37434	0.2
59.52165	0.2
63.80169	0.2
64.43026	0.2
65.24722	0.2
103.32755	0.2
151.07523	0.8
165.09029	0.3
166.69955	0.2
179.06998	0.3
190.08627	1.6
191.09421	2.1
191.77907	0.3
204.10228	1.2
206.11758	100.0
207.98363	0.3
238.21259	0.2
255.12602	0.4
256.74637	0.2
293.48987	0.2
312.12222	0.4
385.17471	0.2
386.15997	3.3
386.19681	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1962
Annotation	Muramine
Peak:m/z	Relative Intensity
68.47427	0.9
68.95520	0.9
76.62748	0.8
78.03133	0.9
85.76339	0.9
99.89015	0.9
101.15659	0.8
118.95672	0.9
121.06489	3.6
137.05942	1.2
151.07549	5.2
153.09117	1.2
165.09111	17.3
166.06197	1.5
167.91701	1.0
181.08588	5.2
190.08604	8.9
191.06990	2.2
194.11748	1.3
203.07207	1.0
204.10194	48.7
205.10971	10.9
205.76759	1.5
206.11786	2.1
222.11224	13.1
235.54347	1.0
281.11853	1.2
291.10187	6.1
294.07809	1.5
294.12384	1.3
299.12711	1.4
306.12506	14.3
307.09268	1.1
310.10855	1.5
312.08798	1.2
327.15860	2.2
336.15930	5.6
337.17020	1.5
342.13394	2.1
352.15283	1.2
368.18549	7.2
386.11978	5.3
386.15927	4.8
386.19614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.196
Annotation	O-Methylthaicanine
Peak:m/z	Relative Intensity
53.93206	0.4
60.10594	0.4
69.56830	0.4
82.37529	0.4
93.76127	0.5
157.44881	0.5
161.08353	2.9
176.09970	0.5
177.76163	0.5
187.88725	0.5
189.07884	3.2
207.08902	5.8
220.09677	1.9
222.11253	100.0
269.11038	0.5
370.16113	0.6
386.19632	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1958
Annotation	Muramine
Peak:m/z	Relative Intensity
50.47797	0.5
50.61240	0.4
53.74024	0.4
58.06600	0.5
94.29858	0.5
107.73888	0.6
136.05220	1.0
147.80861	0.6
150.06709	1.2
151.07536	5.1
153.09137	2.3
164.08308	0.6
165.09105	18.9
166.06250	3.5
177.09196	0.9
181.08560	5.9
182.10297	0.6
190.08624	7.9
191.07074	2.8
192.10240	0.9
193.08691	1.1
193.10922	0.9
194.11790	1.1
204.10193	49.6
205.10979	15.0
206.11826	3.0
222.11269	11.9
268.10913	0.9
275.10770	0.7
291.10181	4.7
294.12427	2.6
296.13953	0.8
299.12796	0.8
306.12473	12.3
307.09683	0.7
312.13544	0.8
322.11859	1.2
325.14371	0.9
327.15900	2.7
336.15814	3.8
337.17154	0.9
338.13864	1.1
352.15500	3.1
353.16119	3.0
355.15387	1.2
364.67792	0.6
366.16885	0.8
368.18625	7.6
386.19589	100.0
395.48566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80732	0.2
57.37434	0.2
59.52165	0.2
63.80169	0.2
64.43026	0.2
65.24722	0.2
103.32755	0.2
151.07523	0.8
165.09029	0.3
166.69955	0.2
179.06998	0.3
190.08627	1.6
191.09421	2.1
191.77907	0.3
204.10228	1.2
206.11758	100.0
207.98363	0.3
238.21259	0.2
255.12602	0.4
256.74637	0.2
293.48987	0.2
312.12222	0.4
385.17471	0.2
386.15997	3.3
386.19681	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1956
Annotation	Muramine
Peak:m/z	Relative Intensity
51.20784	0.8
58.20682	0.8
67.18128	0.9
77.72072	0.8
150.06798	1.2
151.07549	6.3
153.09189	1.1
165.09081	16.1
166.06285	2.1
177.48822	1.0
179.07042	1.0
181.08580	5.1
190.08655	7.1
191.07066	4.3
194.11816	1.5
204.10194	53.8
204.12128	1.8
205.10983	13.2
206.11812	4.1
222.11237	15.8
268.10828	1.6
270.94540	0.9
291.10120	5.7
294.12411	4.0
305.11752	1.3
306.12518	14.2
322.11823	1.4
323.67236	1.0
327.15924	1.7
336.15900	2.4
337.13782	1.2
352.15479	2.2
355.15347	1.2
368.18518	4.9
386.16006	3.9
386.19638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2688
Annotation	TMC 169
Peak:m/z	Relative Intensity
53.03939	1.0
56.46187	0.5
67.05499	1.5
78.76071	0.6
79.05499	0.7
80.05006	1.2
81.07055	2.5
93.07025	2.4
95.08625	1.4
107.08584	1.0
108.04482	100.0
109.06538	0.7
110.06047	0.6
110.06921	0.6
126.05519	61.6
149.07097	2.6
171.81752	0.7
247.11560	0.7
368.25723	2.7
386.26813	56.9
386.30591	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76958	1.2
54.06893	1.1
55.25189	1.3
56.38509	1.1
57.44947	1.1
62.98238	1.3
67.05516	15.8
69.07066	2.7
70.06579	1.8
79.05510	1.6
81.07072	7.2
84.30343	1.4
93.07021	1.9
95.08612	4.5
99.04447	2.3
99.22736	1.8
105.07024	4.9
107.08567	2.2
109.07668	2.4
109.25786	1.5
119.08530	2.4
123.09163	2.2
125.10796	1.7
134.07166	6.2
135.08035	2.0
136.98283	1.2
137.10736	1.9
141.09122	6.0
147.09059	1.8
147.11736	2.3
162.10254	2.8
175.12354	1.6
194.24800	1.3
202.13387	1.8
220.17244	1.5
284.08594	1.5
344.17981	1.4
352.56561	1.6
368.26987	12.0
386.28052	100.0
394.03409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
56.05027	5.3
57.07076	1.2
58.06596	4.5
60.04519	1.5
61.63665	0.7
63.55123	0.7
67.05501	6.3
69.07078	6.6
72.04513	10.2
74.06091	9.6
79.05492	1.8
81.07068	9.6
83.08614	5.2
84.04507	23.9
85.29043	0.9
86.06064	15.2
93.07018	1.8
95.08599	9.5
97.10163	1.9
100.03928	1.1
102.05554	18.7
107.08578	1.3
109.10149	1.9
114.05555	6.4
118.05002	11.9
121.10147	4.1
123.11691	0.9
135.11659	1.1
338.26849	1.5
351.27701	3.5
368.27753	1.6
368.68756	1.0
386.28964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63970	0.6
55.05524	6.5
56.05045	1.3
58.06601	1.2
67.05511	12.8
67.09136	0.8
69.07079	12.4
70.02938	1.0
70.06590	1.0
71.77537	0.7
72.04511	4.7
74.06067	4.8
79.05505	6.2
80.77194	0.7
81.07059	13.9
83.08620	7.2
84.04514	7.7
86.06065	9.7
91.05478	1.8
93.07039	4.1
93.85712	0.8
94.06561	2.1
95.08611	13.7
96.23611	0.9
97.10165	3.2
98.06068	0.8
102.05539	8.0
103.05475	1.1
105.41423	0.7
107.08585	2.0
109.10150	5.3
112.07607	0.9
114.05565	2.0
116.07068	1.1
118.05018	8.0
121.10139	1.8
122.88817	0.8
123.04392	4.0
123.11659	1.2
130.08633	3.6
131.04919	6.9
135.11626	1.0
137.02863	0.9
137.05974	8.8
145.06494	4.0
149.05980	28.2
151.07535	2.1
158.08081	1.3
161.05975	10.0
163.07558	7.6
175.07576	6.6
178.59856	0.8
189.09068	1.5
203.10660	1.2
304.30609	1.1
338.26917	1.2
351.27792	2.0
368.31461	4.0
386.29587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50145	1.0
55.05518	5.1
57.03436	1.1
60.04537	15.4
67.05507	9.9
69.07072	7.8
74.94073	1.1
75.94644	1.0
79.05497	4.8
81.07073	17.3
83.08614	6.6
86.09708	7.9
87.04324	1.1
91.05460	1.2
91.68802	1.0
93.07043	2.9
95.08613	17.4
97.06509	1.7
97.10186	4.7
107.08627	4.0
109.10175	11.6
119.08586	1.9
121.10149	5.9
123.11719	5.5
125.29380	1.1
133.10147	6.0
135.11699	5.4
137.13245	2.7
147.11710	2.7
147.98941	1.2
149.13345	1.9
161.13258	2.3
165.12804	1.4
182.15463	6.4
213.24203	1.4
217.19600	1.8
235.20610	2.6
252.23209	17.5
270.24338	2.6
294.24582	1.4
309.24197	1.4
311.56598	1.4
326.26923	2.8
344.27975	6.3
372.28970	1.4
386.29041	100.0
386.34085	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
56.05027	5.3
57.07076	1.2
58.06596	4.5
60.04519	1.5
61.63665	0.7
63.55123	0.7
67.05501	6.3
69.07078	6.6
72.04513	10.2
74.06091	9.6
79.05492	1.8
81.07068	9.6
83.08614	5.2
84.04507	23.9
85.29043	0.9
86.06064	15.2
93.07018	1.8
95.08599	9.5
97.10163	1.9
100.03928	1.1
102.05554	18.7
107.08578	1.3
109.10149	1.9
114.05555	6.4
118.05002	11.9
121.10147	4.1
123.11691	0.9
135.11659	1.1
338.26849	1.5
351.27701	3.5
368.27753	1.6
368.68756	1.0
386.28964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.1
57.03454	2.9
57.07079	3.3
59.93042	2.4
65.03947	2.7
67.05516	47.9
69.07066	13.5
79.05506	26.8
81.03423	2.5
81.07058	34.6
83.05000	2.7
83.08633	5.7
88.92385	2.3
91.05491	12.9
93.07055	34.2
95.08619	24.0
95.09135	3.5
97.06517	3.0
97.10191	6.3
105.07034	15.5
107.08599	46.8
109.10172	35.7
111.08054	4.0
116.70647	2.6
117.07013	3.9
119.08586	13.9
121.10142	16.6
123.11681	4.6
125.09637	6.6
131.08627	2.7
133.10143	18.4
135.11694	25.4
145.10110	2.8
147.11662	5.8
149.13240	11.1
161.13228	4.7
171.11612	2.7
175.14827	6.5
175.65002	3.1
176.07007	2.6
189.16411	3.8
198.14984	4.0
204.06824	3.2
227.12683	11.2
259.20609	14.2
277.21634	39.2
351.25363	100.0
368.07330	3.3
369.26370	28.4
385.54788	4.0
386.19882	3.8
386.32755	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29252	0.7
55.05510	4.8
67.05514	13.2
69.07075	9.7
79.05512	0.8
81.07067	14.1
83.08615	4.1
90.96873	0.8
91.05468	1.5
91.17480	0.7
93.07059	1.8
95.08624	11.7
97.10183	1.4
103.05453	1.7
109.10159	5.8
123.04446	7.3
123.11669	1.5
131.04913	8.7
137.05991	18.0
145.06496	6.3
147.04387	1.2
149.05989	45.7
151.07555	4.3
157.06538	2.0
159.08026	1.2
161.05969	16.0
163.07538	11.6
171.08128	1.3
173.05992	3.5
175.07559	13.1
177.09146	0.9
189.09164	5.3
201.09143	2.0
203.10747	1.5
213.72615	1.0
215.10608	0.9
368.31650	1.4
386.30530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.7
55.44858	1.3
56.49292	1.4
67.05512	14.1
69.03429	1.4
69.07066	12.8
81.07064	16.0
83.08635	2.3
92.29553	1.5
93.07076	1.6
94.86044	1.4
95.08601	15.6
103.05495	2.2
105.66641	1.5
109.10181	7.3
112.07605	1.6
114.09153	2.2
121.82371	1.6
123.04427	8.0
130.08630	2.9
131.04939	14.2
137.05943	15.2
145.06435	7.1
149.05957	45.8
151.07581	5.8
161.05983	14.4
163.07539	12.8
173.05997	2.9
175.07500	15.7
177.09010	2.2
189.09128	3.4
197.70328	1.5
201.09145	1.7
245.86919	1.5
308.45465	1.7
330.07077	1.9
368.31671	7.6
386.19882	2.4
386.26535	10.3
386.30554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.305
Annotation	3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
Peak:m/z	Relative Intensity
50.15853	0.7
55.05535	7.9
58.06572	0.8
67.05507	11.9
69.07065	12.5
71.08637	1.2
74.06100	1.2
79.05482	1.8
81.07065	15.4
81.79974	0.9
83.08630	5.6
84.04507	1.5
84.08154	1.5
86.06082	1.6
93.07053	2.1
95.08617	14.5
97.10146	2.1
102.05511	1.4
103.05466	1.0
107.08591	1.0
109.10168	5.0
112.07629	0.9
114.05557	1.5
114.09171	1.0
117.07057	1.2
118.05031	1.3
121.10070	1.1
123.04465	5.4
123.11716	1.3
130.08653	1.9
131.04929	7.7
137.05995	16.5
145.06483	7.9
149.05977	46.3
151.07588	5.5
157.06561	1.5
159.08000	1.7
161.05972	16.1
163.07530	17.3
169.47287	0.9
173.06032	3.6
175.07545	12.8
177.09129	1.3
185.09679	1.2
189.09171	5.7
203.10733	3.7
317.28571	0.9
368.31552	5.1
386.30499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54374	0.6
55.05508	4.7
60.30152	0.7
66.11298	0.6
67.05512	10.7
69.07076	10.5
73.93777	0.8
79.05493	1.8
81.07068	13.5
83.08628	4.8
91.05502	0.9
93.07054	1.1
95.08611	12.8
97.10162	1.4
103.36514	0.7
109.10164	4.7
117.07037	1.5
123.04470	7.3
123.11673	1.2
131.04936	9.8
134.22334	0.7
137.05989	16.0
145.06494	7.9
149.05991	47.2
151.07550	3.1
157.06528	1.2
159.08083	2.8
161.05972	17.6
163.07533	15.6
169.86075	0.7
171.07922	0.8
173.06010	3.2
175.07523	13.1
177.09143	1.3
185.09595	1.0
189.09193	3.8
201.09068	0.9
203.10719	1.0
215.10504	1.3
298.42477	0.7
386.30542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14963	1.2
55.05520	3.4
56.18434	1.3
58.06610	26.0
60.93149	1.2
66.37017	1.1
67.05506	8.1
69.07067	7.1
70.06599	6.3
72.08171	13.0
79.05511	5.8
81.07059	11.0
83.08614	6.8
86.06076	2.3
88.07661	2.9
93.07036	3.6
95.08614	15.4
95.32123	1.3
97.10148	2.8
97.63522	1.7
100.07619	31.4
102.05555	2.2
102.09246	1.5
103.06258	1.4
104.07135	3.2
104.37342	1.5
107.08593	3.3
109.10187	6.6
110.09652	2.5
111.08105	1.4
116.07093	6.3
118.08604	2.7
121.10159	3.5
129.65210	1.3
132.06544	5.1
134.51175	1.6
135.11700	3.5
137.22801	1.5
146.08144	15.5
201.11240	3.5
212.23663	11.2
230.24893	1.9
292.30164	5.1
294.31613	11.2
322.31003	14.8
338.30515	2.1
340.22440	2.1
340.32129	6.8
359.31815	1.5
368.31720	12.6
386.28885	7.7
386.32739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27743	0.4
70.06577	0.5
72.08166	0.6
74.06074	0.3
85.02895	1.6
97.80096	0.4
99.04462	0.4
116.07122	0.8
127.03942	0.4
143.11812	0.5
165.01808	1.7
179.03178	0.5
197.04387	0.5
210.01591	28.4
225.03925	100.0
242.98360	0.5
256.06058	0.4
267.11243	0.8
293.09106	2.5
297.03140	0.6
324.08719	0.4
343.12869	2.2
369.21225	0.6
387.12405	1.8
387.16541	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09798	0.2
51.85643	0.2
57.33142	0.2
67.11845	0.3
68.06746	0.2
69.66567	0.2
70.06569	0.2
78.09168	0.2
85.02904	0.6
86.09718	0.3
165.01839	2.3
179.03455	0.3
197.04509	0.4
209.99951	0.4
210.01582	27.2
225.03922	100.0
322.53598	0.3
328.08066	0.3
387.09286	1.7
387.15747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18324	0.9
56.36537	1.0
57.50449	1.1
60.06004	0.8
70.06577	2.0
78.60419	1.2
81.03429	1.4
84.86117	1.3
86.09720	3.0
97.02898	5.0
99.04440	1.4
121.06499	2.8
132.10185	1.4
134.06047	1.3
176.06946	1.4
178.06059	1.3
188.07123	1.8
192.06499	1.6
223.61736	1.3
224.06969	1.8
225.07848	47.5
225.10063	1.8
228.06511	2.3
229.07294	1.4
243.13429	4.7
255.08574	1.3
255.13316	1.4
257.06824	43.1
268.08371	17.5
279.07852	1.4
280.08542	5.2
283.10727	2.7
284.09268	4.7
296.07898	19.6
300.07419	10.6
311.10239	100.0
322.85007	1.3
379.86404	1.4
387.11807	40.9
387.15826	3.6
402.95721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1281
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.03959	1.4
69.03424	2.8
74.11437	0.8
81.03422	5.4
85.02908	3.5
91.05486	2.8
97.02866	1.6
97.42744	0.7
99.04456	22.0
109.02859	2.8
119.04935	9.5
119.88905	0.8
127.03910	100.0
145.05063	0.8
147.04414	14.5
167.06943	1.0
175.03897	29.1
175.05295	1.4
207.06522	43.9
207.08472	1.5
207.13673	1.0
225.07474	0.9
271.18320	0.8
279.23627	0.8
289.09091	0.7
297.10052	0.8
298.10052	1.3
312.12366	1.0
313.12570	3.4
325.08945	1.0
351.10687	3.1
369.11719	2.8
387.16321	6.9
396.71259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
69.03424	2.8
74.11437	0.8
81.03422	5.4
85.02908	3.5
91.05486	2.8
97.02866	1.6
97.42744	0.7
99.04456	22.0
109.02859	2.8
119.04935	9.5
119.88905	0.8
127.03910	100.0
145.05063	0.8
147.04414	14.5
167.06943	1.0
175.03897	29.1
175.05295	1.4
207.06522	43.9
207.08472	1.5
207.13673	1.0
225.07474	0.9
271.18320	0.8
279.23627	0.8
289.09091	0.7
297.10052	0.8
298.10052	1.3
312.12366	1.0
313.12570	3.4
325.08945	1.0
351.10687	3.1
369.11719	2.8
387.16321	6.9
396.71259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77191	0.4
67.07455	0.5
69.03427	0.8
70.06597	0.8
77.72475	0.5
81.03414	1.3
85.02911	3.4
95.06088	19.9
97.02899	0.6
109.02885	1.1
113.02372	2.7
113.07128	100.0
127.03942	2.5
137.06004	0.6
145.04918	0.7
164.07117	0.7
173.00870	0.5
189.40555	0.5
220.91344	0.6
256.20184	0.6
387.13983	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.07605	0.8
50.70164	1.2
60.90077	0.9
91.05476	2.0
92.20937	1.6
103.05462	6.2
107.04983	2.7
117.07021	1.8
119.04893	1.4
122.03615	1.8
129.99411	1.3
131.04916	13.2
133.06450	1.5
137.05983	100.0
143.04889	2.6
145.06505	2.5
147.04504	1.2
148.05196	4.7
149.05997	1.8
151.03905	32.6
151.07484	1.3
153.05435	1.3
161.05983	1.9
163.07581	13.5
165.05515	1.5
167.07013	15.4
173.05972	5.7
175.03911	1.5
175.07545	2.2
177.05435	1.8
181.04944	27.5
191.07045	42.3
202.04938	1.1
203.07034	1.8
205.08583	1.9
233.07988	2.5
235.09621	2.1
249.08859	1.4
251.06960	1.2
337.10254	1.5
355.11810	2.6
357.13284	7.5
369.13531	2.8
387.07224	5.1
387.14304	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
92.21599	1.1
95.04954	1.8
103.05450	9.6
107.04989	4.3
118.04121	1.4
119.04930	1.3
121.06543	1.5
122.03695	1.3
131.04922	17.2
133.06483	1.9
137.05974	100.0
143.04926	1.7
145.06476	2.4
146.17436	1.0
148.05162	6.0
151.03899	37.3
151.05064	2.4
153.05475	2.0
161.05914	1.6
163.07541	16.5
166.87943	1.3
167.07027	18.8
171.06529	1.2
173.05998	7.2
175.07553	2.2
181.04950	36.3
191.07016	51.4
194.05389	1.4
203.07062	1.7
205.08630	1.8
235.09627	1.5
249.11194	2.0
255.13815	1.7
263.09256	1.1
277.08594	1.5
305.08029	1.6
307.09650	1.5
313.08829	1.7
328.11511	1.4
337.10794	1.6
351.12500	1.7
351.19470	1.4
357.13223	7.6
359.12741	1.6
369.13293	2.3
387.07245	1.8
387.14310	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1545
Annotation	Mesoridazine
Peak:m/z	Relative Intensity
53.99654	0.8
58.06606	100.0
58.51453	0.8
64.14436	0.7
115.24772	0.8
119.04957	1.2
123.99733	0.7
129.61203	0.8
144.32841	0.8
147.04506	0.9
175.03816	5.8
207.06548	11.0
311.07370	0.9
312.08826	1.3
325.09091	3.0
339.07034	3.8
342.09842	6.3
358.28098	1.0
369.11584	12.0
387.15689	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54803	0.3
56.23608	0.3
59.59045	0.3
65.39594	0.3
67.05491	0.3
70.51442	0.3
79.05476	2.3
81.03420	0.3
81.07066	0.4
95.04964	0.4
95.08593	0.4
103.05472	0.6
105.07037	100.0
109.10142	0.3
119.04949	1.9
121.06517	0.6
245.22687	0.3
305.14133	1.3
323.15829	0.4
369.24448	0.4
387.18094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22467	0.2
53.92469	0.3
64.34693	0.3
69.03420	1.2
79.05489	2.2
81.03436	0.6
81.07049	0.5
83.04977	0.3
86.80254	0.3
91.05490	0.4
93.07050	1.9
95.04976	0.6
95.08623	0.3
103.05458	1.2
105.07035	100.0
119.04943	2.0
121.06506	3.6
127.03963	0.3
129.05438	0.4
132.75768	0.3
222.41116	0.3
262.98367	0.3
290.67795	0.3
387.17981	1.5
387.25351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72498	0.7
67.05494	0.9
68.36599	0.9
76.07648	0.9
79.05491	1.3
93.07077	0.8
95.04973	0.9
97.39268	0.9
105.07034	100.0
119.04900	1.1
121.06516	1.3
137.06015	1.4
138.91284	0.8
275.05579	0.8
296.67822	0.9
341.12149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Burseran
Peak:m/z	Relative Intensity
51.99715	1.2
63.40784	1.2
69.86529	1.2
107.04948	1.6
111.80662	1.2
118.95418	1.3
131.04915	1.8
137.05998	7.9
145.06430	1.4
147.04431	1.4
151.03703	1.5
151.07574	1.6
160.05214	2.2
161.06064	1.7
163.07571	2.3
167.06851	1.7
171.54500	1.6
173.39198	1.4
175.07535	33.0
176.08385	2.8
181.08531	9.1
187.07593	2.3
190.06247	24.3
191.07126	2.8
193.04997	4.9
194.05305	2.6
205.08603	52.3
207.10204	13.1
255.13730	2.7
281.11755	2.3
295.09717	5.3
295.13303	5.0
297.11191	7.3
307.13260	1.4
309.11179	11.2
310.11835	2.8
311.12939	5.3
312.13470	6.0
313.10681	6.6
313.14194	3.1
323.12808	9.8
325.10837	2.3
325.14310	19.4
328.12878	1.8
337.05222	5.3
338.15070	3.1
339.12543	1.8
341.13898	37.6
343.15433	3.0
351.19467	5.1
356.16168	55.8
357.13150	1.6
369.08173	2.3
369.13065	1.7
369.20654	2.4
387.18027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.15401	0.5
53.33411	0.5
56.35662	0.7
56.73071	0.5
57.03450	0.8
57.53965	0.5
59.04994	0.8
60.30267	0.5
61.02952	1.2
67.05521	0.9
69.03430	2.8
71.05006	1.2
72.17309	0.7
81.03462	0.7
81.07056	2.7
83.04983	6.1
85.02904	9.6
85.06537	1.4
87.69287	0.6
91.05517	0.7
92.20992	0.9
93.07046	1.0
95.08601	8.5
97.02879	3.0
97.06522	0.8
99.04461	1.7
105.07045	8.0
107.08594	9.0
109.06518	3.8
109.10148	2.6
119.04951	2.8
119.08559	6.4
121.10149	6.5
123.08065	38.3
123.08955	1.5
123.11738	2.6
127.03926	1.5
131.08595	2.7
133.06514	6.0
133.10158	3.4
137.05992	1.6
137.09648	3.7
143.08513	2.4
145.10118	4.7
147.08058	1.5
147.11678	9.8
149.09619	32.0
151.07541	24.6
151.11134	3.7
156.09348	1.7
159.11626	0.9
161.09622	4.1
161.13251	18.5
165.09102	0.8
165.12733	13.0
171.11687	11.5
174.04279	0.7
174.10405	3.2
179.14360	5.2
184.21034	0.7
184.51549	0.8
189.12735	73.3
207.13795	100.0
225.14845	48.0
387.15411	0.9
387.20233	0.8
408.46063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.15401	0.5
53.33411	0.5
56.35662	0.7
56.73071	0.5
57.03450	0.8
57.53965	0.5
59.04994	0.8
60.30267	0.5
61.02952	1.2
67.05521	0.9
69.03430	2.8
71.05006	1.2
72.17309	0.7
81.03462	0.7
81.07056	2.7
83.04983	6.1
85.02904	9.6
85.06537	1.4
87.69287	0.6
91.05517	0.7
92.20992	0.9
93.07046	1.0
95.08601	8.5
97.02879	3.0
97.06522	0.8
99.04461	1.7
105.07045	8.0
107.08594	9.0
109.06518	3.8
109.10148	2.6
119.04951	2.8
119.08559	6.4
121.10149	6.5
123.08065	38.3
123.08955	1.5
123.11738	2.6
127.03926	1.5
131.08595	2.7
133.06514	6.0
133.10158	3.4
137.05992	1.6
137.09648	3.7
143.08513	2.4
145.10118	4.7
147.08058	1.5
147.11678	9.8
149.09619	32.0
151.07541	24.6
151.11134	3.7
156.09348	1.7
159.11626	0.9
161.09622	4.1
161.13251	18.5
165.09102	0.8
165.12733	13.0
171.11687	11.5
174.04279	0.7
174.10405	3.2
179.14360	5.2
184.21034	0.7
184.51549	0.8
189.12735	73.3
207.13795	100.0
225.14845	48.0
387.15411	0.9
387.20233	0.8
408.46063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.72090	3.1
60.59508	3.3
61.94040	3.4
61.94378	3.4
67.05490	4.5
69.03448	27.2
72.08150	19.3
75.85919	3.8
81.03434	9.0
81.07067	7.5
85.02906	86.8
85.06532	6.9
86.09698	26.0
92.15681	3.8
93.20580	3.9
95.08604	52.3
99.04444	15.5
105.07011	6.5
107.08585	7.9
109.02882	6.9
109.06538	4.6
109.10149	24.5
113.06020	5.9
119.04932	19.0
119.08578	18.6
121.10117	9.5
123.08058	24.4
123.11700	80.4
125.05956	15.9
127.03896	38.7
135.11665	7.3
137.09625	6.2
139.07529	5.0
145.10136	9.0
147.04420	27.3
147.11673	29.4
149.09619	20.9
151.07553	17.3
161.09612	9.1
163.11157	5.4
165.12798	4.8
169.30867	4.6
175.03906	43.1
179.14282	5.3
185.16490	5.5
189.12743	21.9
207.06516	73.2
207.13800	100.0
213.15984	5.2
225.14861	30.2
333.17090	20.1
351.17987	38.9
369.11761	6.3
369.19119	26.4
387.15875	15.8
387.20062	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03625	0.5
53.03944	0.7
54.32288	0.5
55.01873	0.7
55.05513	0.7
61.02934	0.7
67.05482	0.6
69.03428	3.4
69.07072	0.7
69.24322	0.6
71.04998	1.2
71.26105	0.6
75.05180	0.5
77.99232	0.6
78.49322	0.6
79.05480	0.9
81.07062	1.6
83.04986	5.3
83.08128	0.6
85.02903	12.4
85.06537	3.7
87.04468	0.8
93.30286	0.6
95.08606	7.4
97.02892	3.4
97.06559	1.5
99.04451	0.8
99.08105	0.6
105.07037	8.0
106.33783	0.6
107.08596	7.3
109.02898	1.2
109.06524	3.8
109.10145	2.5
119.04942	2.8
119.08571	7.6
121.10137	6.2
121.27741	0.6
123.08061	32.6
123.11698	3.4
127.03911	2.5
131.08554	1.4
133.06502	4.7
133.10138	2.8
137.06007	0.9
137.09634	3.5
145.04973	1.2
145.10112	3.4
147.08051	3.2
147.11670	8.4
149.09604	29.8
151.07544	24.4
151.08759	0.8
151.11087	0.7
161.09616	2.8
161.13245	17.4
165.12741	14.9
165.93256	0.8
167.06976	2.7
171.11662	11.6
174.10455	1.3
175.03865	0.9
175.56854	0.6
179.14310	3.7
189.12733	70.7
193.08548	0.9
207.06560	1.1
207.13794	100.0
210.79788	0.7
224.52824	0.8
225.14839	64.4
236.07770	0.8
387.19427	0.8
412.86032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2167
Annotation	17-phenyl-trinor-PGE2
Peak:m/z	Relative Intensity
54.98706	1.0
55.05522	2.6
55.80797	1.0
57.03441	1.2
69.07082	1.4
71.05016	1.6
79.05484	1.7
79.84121	1.3
81.07069	5.2
91.05486	1.8
93.07030	2.3
97.10167	1.8
105.07050	2.3
109.10166	4.9
109.35310	1.1
119.04969	1.9
125.09590	1.7
127.11176	2.6
135.11728	1.7
137.05980	53.6
143.04846	1.5
145.06477	1.3
151.03894	2.8
153.12753	5.2
155.59886	1.2
155.95668	1.2
157.10092	2.1
159.08049	5.5
161.05980	1.6
163.07588	1.8
167.07050	6.9
173.05975	1.8
173.09621	5.6
175.07521	1.1
181.04988	8.0
182.08890	1.5
185.09641	17.1
187.07539	66.0
188.08328	1.3
191.03403	1.6
191.07072	1.4
201.09097	22.8
203.10678	5.1
207.06551	1.4
229.08595	24.3
241.12216	2.1
247.09651	100.0
255.13831	2.8
323.20114	5.5
341.21124	12.9
346.98538	1.3
351.19531	4.1
369.13348	1.6
369.20663	24.1
387.14279	27.0
387.21481	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2373
Annotation	Rhodomollein XIV
Peak:m/z	Relative Intensity
54.38261	1.1
55.05513	1.5
62.81067	1.0
67.05505	2.9
69.07072	2.2
79.05481	1.8
81.07062	10.5
83.08607	1.3
87.41940	1.1
89.93091	1.1
95.08598	2.5
105.07046	1.2
107.08596	1.7
109.06493	1.7
109.10104	1.9
111.01341	1.1
111.04449	15.1
119.08607	1.3
121.10126	2.7
125.05996	1.6
133.10110	2.5
135.08064	1.5
135.11652	2.3
137.05980	100.0
137.13356	1.4
145.10132	2.4
147.11697	5.4
151.07532	1.9
161.09671	2.9
163.11223	1.9
165.09108	1.5
175.11177	2.0
176.07062	1.8
179.10789	1.6
203.17906	2.4
204.06581	5.8
205.06781	3.0
211.32829	1.4
213.16344	1.7
231.17508	8.8
277.17996	29.6
295.19031	7.3
351.21646	42.2
369.16864	2.3
369.22952	2.9
387.14130	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15346	1.2
53.43548	1.3
69.07027	1.5
70.71937	1.4
77.41354	1.5
81.07025	1.4
87.22107	1.7
95.08575	1.6
96.02490	1.3
105.07026	3.7
133.10156	2.0
195.93005	1.6
219.25757	1.5
251.37164	1.7
305.18176	1.5
387.25067	100.0
387.30225	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2502
Annotation	Bufalin
Peak:m/z	Relative Intensity
52.37288	2.2
56.75671	2.0
60.36041	2.1
64.78152	2.4
95.92500	2.3
102.12964	2.5
105.07012	9.7
108.22629	2.3
170.33032	2.4
234.28778	2.6
234.82904	2.7
331.97858	3.0
364.74979	3.1
387.25018	100.0
412.95746	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2526
Annotation	Actinopyrone B
Peak:m/z	Relative Intensity
51.87436	2.6
52.00510	2.7
54.60992	3.0
56.12880	3.3
57.22045	3.0
57.44738	2.8
64.19014	3.0
67.05482	3.1
69.07063	16.8
71.04993	4.4
73.35708	3.7
77.31413	3.1
79.05487	4.4
81.07085	13.0
82.27493	3.8
83.04937	4.3
83.08642	6.5
91.05453	4.0
93.07039	8.9
95.08598	16.4
97.06471	3.9
97.10173	5.1
99.62672	3.7
105.07047	27.6
107.08596	90.3
109.10149	15.5
119.08582	15.6
121.10133	3.8
125.08761	6.5
125.09628	95.6
131.08583	5.4
133.10126	7.5
135.11688	7.0
143.08551	8.0
145.10112	6.6
147.08060	5.5
147.11641	4.3
155.08603	3.9
157.10136	17.0
159.11609	6.3
169.10138	7.6
171.08029	16.4
171.11707	7.3
173.09596	16.1
175.11095	4.1
183.11679	15.0
185.09656	7.1
185.13240	15.7
187.11180	5.6
195.11644	5.6
197.13322	8.6
199.14772	4.2
209.13213	8.7
211.11201	5.1
211.14799	28.0
219.84120	3.5
225.16345	6.4
227.14267	6.9
229.15854	4.4
235.14769	4.8
239.14143	20.2
245.11702	13.7
257.15378	7.5
261.14777	4.5
267.21030	6.1
277.19266	4.1
295.20483	42.3
313.18286	4.4
331.19141	7.0
337.21646	13.8
341.08490	9.1
355.22653	14.9
369.24118	35.6
387.25299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2528
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.19698	1.4
55.01865	2.5
55.05521	3.9
61.91100	1.7
67.05529	12.5
69.03422	6.8
69.07066	6.6
76.96195	1.5
79.05487	10.4
79.37980	1.8
81.03428	6.8
81.07066	20.7
83.04951	2.8
83.08619	2.7
91.05486	7.5
92.20901	3.6
92.21496	6.0
93.07039	13.7
95.04970	2.7
95.08610	14.0
105.07039	12.3
107.04948	2.7
107.08585	10.6
109.06477	1.7
109.10133	12.6
117.07012	7.2
119.08579	13.2
121.10117	7.4
123.08084	1.9
129.07021	6.7
131.08563	12.3
133.10110	10.8
135.11716	3.4
143.08563	8.2
145.06448	2.6
145.10107	12.3
147.11659	7.8
149.13213	2.6
157.06465	2.3
157.10066	7.5
159.08031	1.9
159.11685	8.4
161.09592	2.6
161.13295	2.9
169.10036	2.0
171.11705	3.8
173.13239	4.0
175.07510	2.2
175.11214	2.1
175.14600	2.0
181.10004	2.0
183.11594	4.0
185.09627	2.6
185.13252	7.4
187.14899	2.2
197.13275	2.6
199.11154	3.4
209.13179	2.1
221.13332	1.8
227.55998	1.8
274.28720	1.8
288.49115	2.1
289.21820	3.3
307.25903	2.3
327.23148	2.1
341.24582	3.4
351.23193	8.3
359.25803	2.3
369.24274	31.1
387.25238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2526
Annotation	Actinopyrone B
Peak:m/z	Relative Intensity
55.05492	4.0
55.96807	2.9
63.62093	2.5
69.07061	5.5
69.22578	3.0
69.23019	3.8
72.56863	2.9
79.05481	5.2
81.07054	14.4
83.04997	4.1
83.08640	5.9
93.07066	6.7
95.08601	13.9
100.39665	3.6
102.35973	3.5
105.07049	26.8
107.08593	96.2
107.09260	6.0
109.10153	16.8
111.63381	4.0
119.08560	7.8
123.46066	3.3
125.09632	100.0
131.08586	4.7
133.10135	6.3
135.11743	3.9
143.08548	4.0
145.10194	4.9
147.11681	4.4
157.10133	14.3
168.42371	3.6
169.10126	7.8
171.08015	13.9
171.11742	4.3
173.09616	21.0
177.47906	3.4
183.11725	7.9
185.09598	7.0
185.13156	3.5
187.11214	6.3
189.49228	3.0
195.11652	4.3
195.45024	3.0
197.09648	4.3
197.13289	3.8
201.12790	4.7
204.43925	3.9
209.13194	7.3
211.14786	16.1
213.12875	4.4
215.40338	3.7
225.16412	6.4
227.14270	4.6
235.14839	4.9
239.14342	14.5
257.15378	8.2
267.21069	3.7
277.19379	5.1
293.18976	3.6
295.20490	21.2
337.21408	7.4
355.22534	6.6
369.24136	28.9
387.25226	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.274
Annotation	Dolabriferol
Peak:m/z	Relative Intensity
50.19707	1.2
55.05511	6.3
57.03444	14.1
57.07074	2.6
61.02922	3.0
67.05498	12.7
69.07078	27.1
71.08634	64.0
75.79427	1.1
79.05505	3.1
81.07064	20.2
81.36438	1.2
83.05037	1.1
83.08617	17.4
91.05484	1.7
93.07061	9.9
95.08605	22.8
97.06528	2.3
97.10197	9.4
99.08098	46.4
105.07015	6.2
107.08572	3.0
109.10145	14.9
111.11721	1.8
117.05492	64.8
119.08564	3.0
121.10125	11.3
123.11671	9.4
127.11205	2.7
133.10132	5.5
135.11717	3.0
137.13264	2.2
147.11705	1.6
151.14877	1.5
161.13316	2.3
205.64888	1.3
207.21112	2.3
217.19452	2.6
235.20653	2.0
271.22662	21.4
327.25320	38.4
369.26334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
55.05513	9.7
57.07072	1.8
58.86290	1.1
64.24093	1.2
67.05511	10.6
69.03426	2.3
69.07069	100.0
76.60275	1.3
77.01193	1.2
79.05496	8.3
81.07071	14.2
83.08602	5.4
85.06524	2.4
91.05494	3.4
93.07047	12.8
95.08611	13.6
97.10154	2.2
99.04430	1.6
105.07040	13.9
107.07944	1.9
107.08568	12.3
109.10168	6.4
111.11738	17.1
117.07025	5.7
119.08596	7.7
119.42889	1.8
121.10168	13.2
123.08082	1.9
123.11665	1.8
129.06963	1.7
131.08600	6.2
133.10143	9.5
135.11674	5.3
143.08580	5.6
145.10144	8.1
147.11674	9.2
149.09511	1.4
155.08595	1.5
157.10092	6.3
159.08014	1.5
159.11652	6.8
161.13239	5.2
161.90891	1.5
169.10078	1.7
171.11681	2.0
173.13193	5.0
175.14905	1.9
177.38855	1.6
187.14758	2.1
191.94327	1.6
259.20407	2.2
277.21548	2.6
313.21692	1.6
369.24136	10.7
387.25238	42.4
387.32828	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67244	0.6
55.05516	10.8
57.07075	1.1
67.05511	5.7
68.22273	0.8
69.07072	100.0
79.05485	3.4
81.07062	6.7
83.08601	3.1
87.85603	0.8
91.05473	3.9
93.07046	7.3
93.98409	0.7
95.08607	5.4
99.04472	0.9
105.07027	6.0
107.08614	6.8
109.10174	6.1
111.11715	23.9
119.08579	5.5
121.10121	5.6
123.11726	1.2
131.08537	1.2
133.10129	7.3
135.11697	3.3
141.09102	1.4
145.10208	1.6
147.11705	4.7
149.13292	1.7
155.94170	0.8
159.11678	1.0
161.13239	3.4
175.14819	1.3
185.13490	0.9
204.70380	0.8
210.75049	0.9
259.20544	2.0
277.21674	4.7
278.82800	0.8
281.16049	0.9
281.91211	1.5
303.23074	1.5
322.91422	1.8
369.24170	1.3
387.25378	4.2
387.32516	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15047	0.8
58.06592	4.3
61.77451	0.7
69.29821	0.7
70.06567	0.8
72.08158	0.8
78.50640	0.9
83.96202	0.8
85.02904	1.1
86.09722	1.0
92.68703	0.8
99.04462	1.9
153.05499	0.9
167.03352	4.9
170.08110	1.0
170.55388	0.9
177.07860	7.7
179.96527	1.0
192.10194	33.3
208.09645	1.0
210.06483	1.5
213.07845	18.4
214.08693	11.2
215.63637	0.9
219.06892	1.3
228.06482	6.1
238.08696	1.6
240.06548	64.2
241.06934	1.0
242.08054	3.2
243.08850	1.6
244.09544	1.4
253.07224	1.3
256.06363	2.3
256.09625	5.8
264.06555	1.8
266.08127	14.6
272.12308	2.0
282.07419	1.2
284.09244	7.2
294.07608	14.0
298.07156	1.5
310.07047	8.6
312.08627	13.1
330.09576	3.7
331.51440	1.0
338.06516	7.0
342.09659	8.3
344.11276	8.4
347.12289	3.4
370.09125	6.8
388.10135	100.0
388.17807	14.3
388.27261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04742	1.3
58.06596	7.2
62.99687	1.2
81.03446	2.7
84.08186	1.3
87.04376	1.3
91.05491	1.4
92.05839	1.9
105.32471	1.5
107.04967	8.0
119.04930	8.4
120.05284	6.5
143.81470	1.3
147.04369	10.2
148.04753	10.2
151.07628	1.5
175.03882	17.3
176.04237	30.3
179.07103	1.7
184.01749	1.5
192.10153	12.2
207.06494	23.6
207.08258	2.2
208.06885	39.1
225.07858	8.9
228.06587	2.3
233.51825	1.5
238.08719	1.7
239.09346	20.6
240.10190	16.3
253.07253	2.1
254.08023	2.6
255.12430	2.6
257.06732	3.0
268.09656	19.0
268.95908	1.5
269.06717	5.5
274.16693	1.4
284.09134	44.5
312.08661	100.0
314.10446	2.2
324.08725	1.9
328.08127	19.3
328.11603	2.9
342.09616	8.1
352.11240	2.1
361.40845	1.6
365.10812	1.5
370.08875	2.5
370.12793	3.1
370.16641	2.2
370.22058	2.5
388.09775	51.5
388.13492	9.3
388.18274	12.3
388.22617	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06356	0.6
58.06613	10.5
65.38288	0.4
66.45966	0.4
70.06598	1.7
77.31989	0.4
84.04496	0.8
84.08150	0.8
85.02919	0.6
86.09738	0.6
108.04512	0.5
121.06506	0.7
148.15366	0.4
166.08722	0.4
170.08086	0.5
174.34401	0.4
177.07774	0.6
178.08646	2.2
182.09685	1.8
190.08719	0.4
198.43755	0.5
208.09660	0.6
208.14044	0.4
210.09138	2.4
224.06973	3.8
225.07794	9.1
228.10260	0.7
229.10983	4.2
230.11955	0.5
238.08684	2.2
239.09409	26.9
240.10196	24.2
240.12706	0.5
241.07288	0.6
253.07379	4.4
257.06888	5.2
261.65350	0.5
266.08072	2.2
268.09714	17.8
269.06757	5.4
270.07541	0.5
281.08105	0.6
284.09171	38.3
292.09714	0.6
298.10797	0.7
301.05823	1.7
312.08664	100.0
314.10153	1.0
328.08154	1.6
338.10449	0.5
340.08435	0.7
341.08881	2.5
355.10599	0.7
356.07635	3.7
356.11292	0.8
370.13254	0.6
373.11584	2.0
388.10144	37.0
388.14087	15.5
388.17899	3.6
388.21838	0.9
388.22714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13625	0.5
58.06607	10.3
59.06918	1.1
81.03397	0.8
85.83275	0.6
92.21579	0.5
95.27871	0.5
99.04425	2.4
100.04739	0.8
107.04283	0.5
107.04953	13.9
107.46468	0.5
119.40704	0.6
145.06447	1.0
171.08051	0.9
182.09651	2.1
192.10178	0.8
210.09044	2.5
224.06966	3.0
225.07858	8.8
228.06461	2.6
238.08473	2.0
239.07161	1.0
239.09377	25.9
240.10181	22.4
246.07413	2.2
253.07152	3.0
254.08047	1.3
257.06766	4.6
264.08508	0.8
266.07913	1.1
268.09662	16.7
269.06686	5.2
272.09070	0.6
282.07480	0.8
284.09158	38.4
296.09048	0.8
301.05524	2.5
312.08652	100.0
322.10565	2.6
323.07526	0.6
324.08582	1.0
328.08002	3.0
328.11520	1.6
340.11581	1.4
352.11499	2.0
352.21204	0.8
355.10147	2.3
356.07257	2.4
370.12854	5.3
388.09860	38.9
388.14032	9.0
388.22940	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66816	0.3
53.90981	0.3
54.95411	0.3
56.05016	0.3
58.06537	1.6
62.65287	0.3
67.05462	0.4
67.56438	0.3
69.07023	0.3
69.56260	0.3
74.06027	0.5
81.06979	0.5
81.62898	0.3
86.06068	7.8
88.07545	1.7
90.05496	0.5
95.08557	0.4
102.05511	0.7
104.07010	1.3
105.07011	0.4
132.06580	4.6
159.06503	0.4
159.41101	0.4
188.41591	0.3
192.25594	0.3
192.85631	0.4
242.20351	0.3
252.68205	0.4
263.17548	0.4
274.25006	0.4
330.07626	4.4
344.09122	6.5
355.08344	21.2
356.05237	0.5
356.09229	1.3
358.07083	100.0
370.29532	0.5
372.08755	2.1
373.09503	6.6
388.11786	86.9
388.30527	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06061	0.7
74.80386	0.7
79.05517	0.8
80.30259	0.8
107.08611	1.0
108.87955	0.8
121.06519	0.9
133.10052	0.8
138.08414	0.8
167.02687	0.8
231.97823	0.9
275.20087	1.0
315.08722	1.0
316.09802	9.6
330.07834	1.3
342.58286	0.8
343.08624	2.6
344.04962	1.2
344.09128	35.2
345.09973	11.9
347.13129	10.5
356.09198	1.6
358.06940	8.5
365.14255	0.9
370.19626	0.9
372.08606	25.0
373.09369	10.1
388.11768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58398	0.4
70.06476	0.9
70.06821	0.6
71.26136	0.4
74.32069	0.5
87.04286	2.1
88.07439	2.9
95.08481	0.6
99.04255	3.0
102.08974	2.0
115.03714	2.6
122.05831	2.2
125.71729	0.5
141.98801	0.5
146.56410	0.5
150.05399	1.2
159.06511	10.0
196.05855	2.2
256.23825	0.5
256.26331	11.8
274.27359	0.8
304.04462	0.7
314.10135	1.1
324.23163	1.0
330.07666	4.4
342.24551	0.6
344.09213	5.9
355.08395	22.4
355.12756	0.8
356.05261	1.4
356.09225	0.8
358.07089	100.0
360.10876	2.1
370.23654	3.1
372.08771	1.8
373.09476	7.4
388.11774	87.9
388.24896	7.5
388.30606	17.3
388.35257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90084	0.5
66.52539	0.5
67.57659	0.5
75.70259	0.6
80.84822	0.6
90.25064	0.6
115.09577	0.6
118.77215	0.6
119.62709	0.7
137.61760	0.6
162.93871	0.7
269.53467	0.7
271.08002	0.6
275.04315	1.4
290.06445	4.6
320.09186	1.3
330.07614	4.0
342.07947	1.3
343.08408	2.4
344.09149	27.3
344.13101	1.0
356.09198	8.4
357.78452	0.6
358.07092	19.4
359.07773	0.9
370.07492	0.6
372.04520	0.9
372.08640	68.0
373.09482	25.7
388.08002	11.7
388.11954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1387
Annotation	periglaucine C
Peak:m/z	Relative Intensity
53.62193	0.7
58.06590	1.1
70.06605	1.9
72.08173	1.3
84.08142	1.3
85.02927	1.0
126.05540	1.1
129.10271	3.8
175.06169	1.1
188.07068	1.2
189.07881	1.2
190.08673	1.4
216.06589	3.4
218.11757	4.9
241.04930	1.6
257.10492	1.4
263.03409	4.0
264.04260	4.8
265.05170	2.2
266.05798	1.4
267.06601	1.5
268.09827	1.4
270.07578	1.2
282.05225	9.0
283.05972	4.7
284.09283	1.7
285.10001	4.6
293.04483	25.5
293.07645	0.9
294.07822	1.7
294.11038	1.7
295.08524	3.7
295.11575	1.2
296.09256	5.2
297.07556	8.6
298.08368	3.5
308.09210	1.4
309.10114	6.4
310.04782	5.4
310.10699	16.4
311.11746	3.5
312.08774	4.0
313.06747	3.0
320.09427	1.6
322.07156	2.1
323.07913	6.7
324.08838	12.1
325.07062	9.6
325.13428	1.1
326.10229	4.0
326.14005	3.7
327.11673	9.1
328.11737	1.3
336.08713	4.2
337.09549	4.3
338.10184	51.1
339.11069	14.5
340.08279	4.3
342.13345	10.5
352.11890	5.8
353.08875	1.5
354.09583	8.9
355.10458	13.7
368.11572	3.5
370.12845	100.0
373.11795	2.1
388.13968	82.1
406.53186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85251	1.1
53.89243	1.4
58.06605	19.2
81.03410	1.4
85.02901	2.2
86.06093	1.6
98.06043	1.6
99.04466	1.8
100.96698	1.3
124.07610	7.3
127.03929	2.3
142.08667	2.8
161.31787	1.4
162.07628	2.5
164.07037	2.6
167.07050	8.7
173.13196	1.6
184.53725	1.6
190.15959	1.9
207.95639	1.4
208.16994	1.5
209.08076	2.3
212.41121	1.4
226.10788	1.7
226.17999	3.5
240.06529	1.8
240.37672	1.5
263.03641	1.5
270.07550	10.9
282.11203	1.8
284.09250	2.0
293.04541	6.4
295.08478	3.3
296.09259	5.5
297.10056	2.6
298.11240	1.5
310.10666	3.1
312.08771	2.2
314.06506	5.9
324.08615	9.1
326.10260	2.5
338.10281	9.9
340.08316	2.3
342.09750	3.5
354.10049	1.9
355.10587	16.7
356.11530	1.4
358.09262	20.8
370.12643	20.8
373.11551	40.0
388.13947	100.0
388.18088	7.5
388.23468	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1386
Annotation	periglaucine C
Peak:m/z	Relative Intensity
51.15042	0.7
58.06607	100.0
69.69121	0.9
84.08147	1.7
99.30062	0.8
152.43613	0.9
195.08061	1.6
223.07578	2.0
224.08266	7.1
227.07077	2.0
251.06865	1.7
252.07793	1.3
255.06549	3.5
279.06357	1.6
280.07196	3.7
283.06342	1.8
283.09637	6.1
311.09198	7.1
328.11551	1.4
388.13489	33.6
388.17715	9.3
388.23126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1392
Annotation	periglaucine C
Peak:m/z	Relative Intensity
58.06606	100.0
69.03433	2.1
70.06590	2.2
70.40112	1.2
72.08171	8.7
81.03414	1.3
82.27712	1.2
84.04515	1.8
85.02914	2.5
86.09705	5.7
87.04453	1.4
97.14539	1.2
99.04440	2.0
105.56148	1.2
106.02924	2.3
107.04945	2.5
116.07074	1.5
117.52023	1.2
121.06508	2.5
124.03961	5.7
127.03922	1.2
138.17003	1.3
140.32739	1.4
150.09065	1.4
164.07062	2.9
172.44908	1.5
177.69411	1.3
192.06578	1.3
196.95445	1.3
197.07765	1.2
208.04254	8.1
213.07867	7.6
226.01749	1.3
226.05283	10.0
226.08592	8.0
240.06540	21.8
244.13818	1.8
271.06052	1.7
283.06009	2.3
294.07419	2.6
310.49493	1.6
313.10974	1.5
328.36664	1.5
341.10181	1.7
343.08167	7.2
352.15671	1.5
370.14050	1.4
388.10089	19.9
388.13889	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20381	0.6
58.06609	100.0
68.62059	0.5
75.62039	0.5
77.22905	0.5
92.20967	0.7
104.85590	0.6
195.14389	0.6
211.34148	0.6
223.07504	2.7
224.08278	4.3
227.07010	2.4
250.73819	0.7
251.07086	1.0
255.06494	2.3
262.47034	0.6
269.08185	0.7
279.06418	0.9
280.07260	0.9
283.06082	1.1
283.09497	4.4
311.09146	3.5
328.11707	0.9
356.15128	0.7
388.13663	37.0
388.17694	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33681	0.5
58.06605	46.2
63.22663	0.6
63.23319	0.6
69.43737	0.5
70.06602	1.3
75.24689	0.6
78.88982	0.7
81.12905	0.7
87.04478	0.6
115.69916	0.8
121.06503	1.2
126.51762	0.7
151.74519	0.6
179.08553	1.2
195.07971	0.9
207.08069	3.4
208.05273	0.7
209.05937	1.2
209.09631	1.2
217.06662	0.8
220.05067	1.3
221.05940	0.8
223.07452	2.5
224.08551	0.9
234.06770	2.6
235.07480	1.3
236.04733	1.4
237.05414	4.7
237.49960	0.7
249.05508	0.8
251.06993	11.0
252.07788	37.7
253.08539	1.5
267.10086	3.2
268.07291	4.4
279.06537	12.6
281.08099	0.8
283.09622	11.8
296.06970	4.7
297.07452	8.1
301.42993	0.6
311.09106	100.0
356.15030	4.5
388.17502	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	100.0
60.90977	0.5
62.01187	0.5
67.61868	0.5
72.08154	0.5
76.65305	0.5
112.64056	0.5
171.94081	0.6
186.04193	0.5
205.27638	0.6
218.05234	0.6
223.07617	2.0
224.08359	1.1
230.36864	0.5
243.56319	0.5
267.06607	0.6
267.28900	0.7
279.06732	0.6
280.07373	0.6
283.09705	2.1
285.11386	0.8
311.05750	0.7
311.09207	1.1
314.10434	0.7
368.83798	0.6
388.13672	7.6
388.17709	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1752
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
51.24037	0.9
58.06602	9.4
68.30471	1.0
72.08138	1.6
85.02896	1.5
93.18039	1.1
103.56499	1.1
109.70612	1.2
113.93770	1.2
118.96661	1.3
136.05185	1.7
145.71004	1.3
151.07553	10.0
161.06026	1.7
177.07764	1.6
179.07005	16.0
179.09480	2.6
190.08630	2.7
191.07014	2.0
192.07744	8.5
192.10190	49.9
192.11844	1.7
207.06549	5.1
208.09705	12.0
224.05432	1.8
239.10719	4.8
253.08693	2.1
267.10068	2.5
268.11032	6.9
270.94974	1.3
279.10330	1.6
280.11078	1.9
284.09552	6.7
285.66702	1.3
299.12775	13.8
308.10455	1.4
311.12903	4.7
312.08807	5.9
316.39691	1.2
321.11008	2.1
328.08240	5.3
342.09863	2.6
342.17133	2.6
370.16547	28.3
372.10727	2.8
373.11572	2.1
388.13513	18.8
388.17725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
51.47527	1.4
58.06606	47.3
91.78790	1.8
128.70103	1.7
132.17079	1.9
162.81349	1.8
195.07988	9.9
206.11761	3.5
207.12045	4.5
208.12350	2.5
209.06047	2.6
223.07544	30.7
224.08292	34.3
236.04694	2.2
240.07993	2.1
249.05518	3.1
251.06888	19.1
252.07770	19.5
253.04781	2.7
255.10165	3.9
265.04898	4.1
268.07260	10.5
269.08044	12.0
279.06497	16.0
280.07352	23.3
283.09604	41.2
284.09067	2.7
296.06784	9.2
297.07578	3.5
311.09116	45.2
324.12335	2.4
328.08109	8.6
329.10336	4.0
356.14859	13.7
370.08969	3.2
388.09811	3.0
388.17462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
51.02628	0.1
51.52035	0.1
52.14350	0.1
54.23458	0.1
56.05045	0.2
58.06606	100.0
58.67700	0.1
61.29486	0.1
64.67365	0.1
68.17316	0.1
69.03074	0.1
70.06618	0.1
70.30138	0.1
78.24577	0.1
86.09708	0.1
90.27922	0.1
104.71337	0.1
121.06496	0.3
129.40297	0.1
158.23903	0.1
164.07103	0.1
169.53802	0.1
225.07802	0.6
241.10983	0.2
252.07910	0.2
253.08536	0.6
253.42416	0.1
257.06839	0.3
269.06799	0.3
269.47180	0.1
279.06445	0.7
281.08002	0.9
284.09143	3.7
296.05673	0.2
296.09360	0.2
296.12830	0.3
311.09128	1.8
314.10043	0.7
324.12277	11.1
328.08142	6.9
328.11560	0.4
329.04584	0.1
334.29419	0.2
342.09760	1.0
356.14902	39.7
370.09158	5.4
370.13474	0.2
373.11438	0.8
381.83139	0.1
388.09866	7.0
388.13412	1.2
388.18008	4.2
388.21710	0.2
388.22791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
55.35154	0.7
58.06608	42.2
61.91385	0.6
67.62720	0.8
78.29767	0.6
114.31345	0.7
170.72479	0.7
179.08595	3.1
207.08028	3.9
209.09671	1.7
220.05200	2.7
223.07579	3.2
224.08315	1.8
225.09105	0.9
234.06712	1.3
235.07565	1.2
236.04736	3.0
237.05405	4.0
237.09047	1.3
251.07007	10.5
252.07802	36.8
267.10208	4.1
268.07318	3.1
271.83194	0.8
279.06512	11.8
281.08255	0.9
283.09631	11.0
296.06796	6.5
297.07578	7.8
311.09131	100.0
343.11841	0.8
356.14874	3.0
388.17523	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1752
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
51.49815	1.1
52.88122	1.0
58.06608	100.0
64.20805	1.2
73.83061	1.2
75.04451	1.7
78.58002	1.4
79.04010	1.1
88.44198	1.2
102.06579	1.3
119.60992	1.5
195.08026	8.8
223.07535	21.9
224.08308	23.1
236.04446	1.8
240.07693	2.3
241.08488	1.3
249.05447	2.0
251.06973	15.4
252.07735	10.8
255.06525	1.4
255.10127	6.8
265.05048	1.9
267.10190	2.2
268.07336	10.5
269.08084	10.1
276.06708	1.4
279.06458	11.5
280.07339	18.4
283.06589	2.6
283.09604	30.0
296.06799	7.2
297.07712	1.9
311.09100	29.1
329.10159	2.2
356.14957	3.1
388.13599	23.2
388.17560	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
55.04655	0.4
58.06602	3.2
59.66776	0.4
65.03521	0.4
72.75130	0.4
73.91476	0.4
75.52638	0.4
93.67847	0.5
119.04947	0.6
136.05147	0.8
137.06000	0.8
148.84174	0.4
150.40355	0.4
151.07533	9.5
159.33691	0.4
163.07536	0.9
165.09081	1.0
177.07843	1.6
179.07011	18.1
179.09445	0.7
190.08607	5.7
191.09428	0.8
192.10188	50.0
196.09697	0.5
198.14372	0.4
205.11002	0.5
206.11743	2.2
207.06494	5.0
208.09671	13.2
210.01546	0.5
211.01929	0.9
222.11317	0.6
225.03920	2.5
226.04134	3.5
239.10684	6.4
250.09949	1.0
251.10687	0.8
253.08522	0.8
254.09396	1.0
267.10150	4.1
268.11011	5.6
277.08737	0.5
279.10156	1.9
279.68295	0.5
280.10889	3.9
281.11694	0.5
283.09698	0.5
284.10474	3.6
285.11255	0.9
293.08038	0.4
296.10480	0.9
299.12790	14.8
307.09546	0.9
308.10388	3.0
310.14511	0.6
311.12787	4.8
321.11108	1.9
329.13669	1.1
337.13129	0.8
338.14029	0.5
342.16968	4.2
352.15408	0.7
355.14197	0.6
357.13373	0.6
370.16479	29.4
388.17545	100.0
404.76651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33681	0.5
58.06605	46.2
63.22663	0.6
63.23319	0.6
69.43737	0.5
70.06602	1.3
75.24689	0.6
78.88982	0.7
81.12905	0.7
87.04478	0.6
115.69916	0.8
121.06503	1.2
126.51762	0.7
151.74519	0.6
179.08553	1.2
195.07971	0.9
207.08069	3.4
208.05273	0.7
209.05937	1.2
209.09631	1.2
217.06662	0.8
220.05067	1.3
221.05940	0.8
223.07452	2.5
224.08551	0.9
234.06770	2.6
235.07480	1.3
236.04733	1.4
237.05414	4.7
237.49960	0.7
249.05508	0.8
251.06993	11.0
252.07788	37.7
253.08539	1.5
267.10086	3.2
268.07291	4.4
279.06537	12.6
281.08099	0.8
283.09622	11.8
296.06970	4.7
297.07452	8.1
301.42993	0.6
311.09106	100.0
356.15030	4.5
388.17502	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1751
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
51.51629	0.8
56.33374	0.8
58.06609	100.0
62.01418	0.9
72.89558	0.9
81.88004	0.9
102.62346	0.9
111.24432	1.2
115.80409	0.9
137.06042	1.2
149.05978	1.2
161.08299	1.3
181.51756	1.0
183.82304	1.1
189.07820	2.2
190.08653	5.5
192.10373	1.0
204.10194	5.6
206.11775	7.7
207.08891	4.3
208.09673	7.4
220.42366	1.0
222.11250	72.2
283.02283	1.4
370.16763	1.6
372.31055	1.2
372.36029	0.9
388.13718	48.1
388.17648	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46224	0.7
52.14148	0.7
58.06612	9.4
62.94146	0.8
72.08168	1.6
84.71883	0.8
89.06055	1.3
91.05535	1.1
103.56583	0.8
121.06504	1.1
128.48317	1.1
142.08554	0.9
143.94157	1.0
151.07556	7.4
163.07497	0.9
165.09148	1.4
165.52133	1.0
175.03882	1.3
177.07851	1.0
178.08736	1.1
179.07004	15.3
179.09331	6.5
190.08640	2.1
192.10197	43.1
207.06622	4.7
208.09676	10.8
210.79994	0.8
218.92662	1.2
238.10686	1.4
239.10715	3.6
251.10962	1.2
267.10315	1.8
268.10999	5.1
270.08844	1.0
273.51819	0.9
279.10309	0.9
280.11115	1.3
282.24432	3.4
284.09189	7.0
284.12961	3.1
289.68127	1.2
296.10272	1.0
299.12817	13.6
308.10318	1.4
311.12991	1.7
312.08813	5.9
314.10571	4.0
328.08170	8.0
328.11774	1.5
339.12390	1.8
342.10074	3.2
342.17123	4.2
344.11307	4.1
344.28262	0.9
353.90204	0.9
356.11505	3.8
370.09293	1.7
370.16507	24.0
372.11362	2.7
373.11618	1.5
388.13748	14.7
388.17761	100.0
388.35092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	16.4
64.94049	2.9
65.05827	3.2
67.31244	3.2
69.76799	3.5
82.92928	3.7
93.14742	3.5
124.65105	3.7
126.90643	3.8
137.05922	4.4
208.80530	4.4
217.05496	3.7
263.09525	5.7
269.10565	4.2
289.11276	4.4
302.46298	3.5
329.14224	37.4
342.13269	4.4
347.11450	5.7
347.15295	100.0
365.16348	40.5
370.12943	5.4
383.17316	16.8
388.15179	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83377	0.3
54.53125	0.2
55.98554	0.3
57.12265	0.3
74.64904	0.2
80.20546	0.2
85.02910	0.4
91.05470	1.0
93.07032	1.5
95.04916	0.4
99.04431	0.5
103.05457	1.0
107.13358	0.3
121.06504	100.0
129.10489	0.2
138.09140	29.0
179.11746	0.4
181.28366	0.3
209.12845	0.3
211.30632	0.3
234.83591	0.3
241.72299	0.3
298.07681	0.3
388.10172	0.6
388.16031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
67.05496	1.6
78.17487	1.0
80.05035	2.3
81.07066	4.5
95.08624	2.7
105.07001	1.3
108.04489	100.0
110.06067	1.3
115.07538	1.5
116.79648	1.0
126.05526	65.0
148.45883	1.4
149.07117	1.3
153.98795	1.2
156.62560	1.0
161.69193	1.1
204.38194	1.2
207.88715	1.2
207.96095	1.2
359.18832	1.0
368.44910	1.3
370.27280	2.5
388.28473	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63316	0.7
55.05520	1.2
67.05501	3.3
68.70041	0.7
69.07072	6.4
69.07383	0.8
76.60466	0.7
81.07059	5.4
83.06110	1.1
94.06554	1.0
95.08601	4.6
105.07010	0.9
107.08600	1.0
108.08080	1.1
109.07648	3.2
110.07167	1.2
113.88903	0.7
121.07602	1.3
121.10155	0.8
123.09179	1.5
129.58617	0.7
130.50829	0.9
134.07141	3.8
135.07964	1.2
148.08702	4.1
149.09486	1.3
150.12840	0.9
152.14398	1.1
164.14354	1.0
164.89357	0.8
165.13850	1.5
179.15408	10.8
195.27414	0.8
204.14990	3.3
205.15649	1.7
206.16542	6.5
233.16495	1.8
251.17564	6.5
260.17590	1.6
276.17029	0.9
343.27460	3.5
347.26941	1.4
361.28439	6.1
370.28522	21.6
388.29572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3054
Annotation	3-hydroxymyristoylcarnitine
Peak:m/z	Relative Intensity
51.67688	1.2
53.85550	1.2
55.05524	2.8
56.05034	6.6
57.07041	1.7
58.06604	14.8
60.04514	1.9
64.32012	1.4
67.05501	2.7
69.07066	2.7
70.06573	2.7
74.06070	6.2
79.05476	2.1
81.07037	6.0
81.66187	1.6
82.06568	2.9
83.08627	1.7
83.74356	1.8
86.06064	60.4
88.07636	19.8
90.05544	6.8
95.08591	8.2
97.10140	1.9
100.29682	1.8
102.05535	9.1
104.07122	5.8
107.08528	1.4
109.10133	2.4
116.07049	2.2
121.10181	1.7
132.06555	36.5
159.06453	3.4
169.91980	1.6
256.26208	2.3
263.36377	1.6
274.27451	1.6
292.54541	2.0
294.27780	2.5
320.52600	1.6
327.87042	1.7
342.30026	1.9
358.07028	10.1
358.86658	1.9
370.29422	8.5
388.11609	10.1
388.30515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3052
Annotation	Mycestericin F
Peak:m/z	Relative Intensity
55.05519	1.6
56.05033	4.5
58.06364	0.8
58.06612	16.0
60.04527	2.1
66.19045	0.7
67.05511	7.2
69.07056	5.0
69.45773	0.7
70.06586	4.0
71.08643	1.0
74.06074	5.1
78.31638	0.9
79.05494	2.2
81.07061	9.8
82.06573	3.2
83.08615	2.1
83.30365	0.8
85.06516	0.9
86.06071	70.5
88.07635	18.5
90.05560	9.0
91.05494	0.9
92.21478	1.2
93.07030	2.0
95.08609	8.2
97.10146	1.2
100.07611	2.2
102.05533	8.3
104.07103	8.8
107.08581	1.1
109.10155	4.3
116.07124	1.6
121.10117	1.8
128.07095	1.6
131.08665	0.8
132.06561	49.5
135.11662	1.3
146.08168	1.3
148.84431	1.1
176.73859	0.9
184.35048	0.9
270.33701	1.0
280.26511	1.0
322.27328	0.9
324.28964	3.3
342.29993	3.7
352.28519	1.1
358.07031	3.9
370.29477	9.2
388.11856	6.2
388.30524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3053
Annotation	3-hydroxymyristoylcarnitine
Peak:m/z	Relative Intensity
53.49033	0.9
53.74923	0.9
54.88371	1.0
55.05517	2.6
56.05033	4.8
58.06607	13.6
60.04528	1.9
61.02936	1.4
63.92632	1.0
67.05495	7.0
69.07060	4.7
70.06585	1.9
74.06069	4.8
79.05489	2.2
81.07049	9.4
82.06578	4.3
83.08631	2.3
86.06064	67.6
87.65709	1.0
88.07628	14.0
90.05540	6.7
93.07040	5.1
95.08595	7.4
97.02850	1.1
97.10171	1.6
100.07632	1.2
102.05540	7.1
104.07102	7.2
106.08701	1.2
109.10158	2.4
109.96624	1.2
116.07104	1.5
119.65087	1.0
121.10116	1.5
123.08038	1.1
126.09095	1.5
132.06558	45.4
133.10069	1.2
146.08208	1.2
162.89342	1.1
170.65514	1.1
305.31140	1.4
306.28058	1.3
322.31024	1.5
324.15698	1.9
324.28925	2.1
342.29941	1.3
352.28622	1.6
365.16302	1.3
370.24634	1.2
370.29477	8.7
388.26013	3.4
388.30530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
55.90583	0.6
56.05036	4.9
58.06610	13.8
59.54951	0.7
60.04534	1.2
63.77197	0.6
65.54984	0.6
67.05506	5.9
68.05039	0.9
69.07074	4.0
70.06593	1.5
71.08605	0.6
72.08158	1.0
74.06079	7.0
77.51357	0.7
79.05481	0.9
81.07063	6.3
82.06573	3.3
83.08607	1.4
86.06068	61.5
88.07638	15.0
90.05546	7.5
92.21634	0.8
93.07054	1.4
94.03860	0.6
95.08609	6.2
100.07614	2.6
102.05555	5.7
102.14928	0.7
104.07102	5.8
105.07072	1.0
107.08590	0.9
109.10157	2.9
116.07065	1.4
121.10175	1.1
124.07590	0.7
128.07068	1.3
130.51578	0.8
132.06569	43.5
146.90903	0.7
154.95984	0.7
159.06525	1.3
188.58739	0.7
248.11153	0.9
256.26303	3.7
287.12701	1.1
294.27933	1.1
303.33243	0.9
315.12219	1.3
324.28928	1.4
342.30029	3.4
352.28436	1.0
355.07846	0.8
358.07108	2.9
370.29581	7.2
372.08624	1.2
388.11676	5.6
388.30554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3055
Annotation	3-hydroxymyristoylcarnitine
Peak:m/z	Relative Intensity
54.65544	2.2
55.05516	4.4
57.07068	6.0
60.04240	4.6
60.04530	81.2
61.74613	2.2
66.47437	2.3
67.05507	22.4
69.07067	15.3
70.80443	2.3
72.04530	4.8
79.05482	6.0
81.03421	4.5
81.07065	20.7
83.08613	14.6
86.06081	3.8
90.05550	21.4
91.05495	11.4
91.60003	2.6
92.20940	3.0
93.07043	15.0
94.06573	4.1
95.04937	3.0
95.08578	18.9
96.08102	2.9
99.35355	2.5
104.70943	2.4
105.07025	9.3
107.08595	10.3
108.08085	2.9
109.10162	4.5
114.09104	2.5
116.07071	3.7
118.03452	2.7
119.08575	12.3
121.10135	4.8
132.06551	6.4
133.10168	13.4
135.11702	3.8
147.11711	3.7
166.57889	2.5
259.50525	3.0
262.25333	36.8
263.23666	6.4
277.58716	2.6
280.26300	29.0
315.90262	2.9
344.29266	19.6
352.28360	23.4
370.29477	100.0
388.30090	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65184	0.3
67.05486	0.4
71.08633	7.0
73.02897	0.4
81.06548	0.3
88.07599	0.4
89.23331	0.3
99.08085	4.1
102.38031	0.3
117.86649	0.3
121.06497	0.5
143.10670	100.0
171.13748	1.7
191.97932	0.4
206.83952	0.3
209.59834	0.3
213.16708	0.3
231.87790	0.3
242.24867	0.6
388.34265	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	1.8
65.55119	1.7
70.06585	1.8
72.08150	6.8
74.06094	1.4
77.41729	1.7
84.04502	3.0
84.08131	2.3
85.02927	2.5
86.06030	1.7
86.09698	15.4
92.88543	1.8
97.02967	1.7
98.97594	3.5
99.04488	3.4
102.05556	1.8
103.28050	1.6
115.22610	1.7
121.06510	1.7
127.03758	2.0
128.07024	1.8
138.05504	2.5
141.94443	1.7
152.07042	2.4
152.24815	1.7
158.99551	3.9
166.04979	2.3
177.00748	2.3
181.06905	1.6
185.16487	2.2
205.26910	1.9
226.08626	2.7
321.08719	2.0
345.09003	2.4
371.14355	6.3
389.08380	100.0
389.13626	31.8
389.17972	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94891	1.8
65.41663	1.6
76.51257	1.5
83.64912	1.7
93.03425	3.8
95.04958	7.1
111.69668	1.8
121.02861	37.8
137.34370	2.4
139.03908	2.1
145.03514	8.0
153.03961	9.0
153.41995	1.9
169.03453	11.5
171.05009	16.0
174.16887	1.9
174.68437	1.8
179.01849	6.8
187.04520	8.3
197.02959	54.5
215.03964	31.9
221.02917	3.3
225.95691	1.8
229.03465	1.9
233.05049	7.0
245.06668	3.4
247.04526	4.5
247.08342	2.4
249.06079	2.7
261.06204	2.0
263.07660	2.8
265.05627	10.4
267.07037	2.7
273.05923	2.4
279.06885	2.4
283.06577	24.8
285.08105	2.7
289.05609	7.7
291.07141	2.6
299.03955	11.7
301.07684	18.0
307.06689	2.3
311.06271	3.9
317.05115	4.6
325.07693	3.3
325.11316	1.8
329.07169	7.5
335.06201	7.6
371.08127	15.8
389.09259	100.0
407.10214	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38700	0.3
54.71914	0.3
58.41724	0.3
64.70671	0.4
67.05500	0.4
83.19127	0.3
131.04953	0.5
137.06027	1.8
149.05934	0.4
163.07524	0.4
166.77544	0.4
167.07082	0.6
171.82971	0.4
175.07680	0.5
181.04973	0.8
224.94806	0.4
292.37708	0.3
334.09674	0.5
346.09543	0.4
359.10275	5.2
359.14285	0.6
360.10931	6.8
360.14990	0.5
389.14960	100.0
389.84055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01513	1.0
65.88003	1.0
71.05002	1.4
78.49715	1.1
81.03396	9.6
83.05018	1.0
83.06110	13.8
83.89499	1.0
84.04504	5.5
84.08134	2.3
85.02901	2.1
86.06045	1.0
94.05378	1.2
95.06070	1.2
97.02874	8.4
99.04469	20.5
99.05569	1.4
102.05537	1.1
108.04423	1.4
109.02863	6.0
110.06032	7.3
111.04430	2.1
114.05574	1.8
121.06461	1.6
122.06835	1.3
124.62836	1.2
125.62426	1.2
126.05479	5.0
127.03937	2.0
129.06604	30.4
129.10228	1.5
130.04988	11.5
134.06013	1.6
141.06491	1.4
142.05000	1.6
147.07579	1.2
148.07578	16.2
149.07109	2.4
152.07068	3.6
153.06609	10.2
164.07048	1.6
165.06580	6.4
166.07396	5.3
167.07001	4.7
176.07013	11.5
177.05438	2.0
179.08163	6.0
181.06093	1.6
186.77362	1.1
191.08174	17.9
192.06534	12.1
193.06044	4.8
195.07655	86.2
199.59625	1.2
201.08769	1.4
207.07664	2.6
208.05978	1.6
209.09198	9.3
213.08661	1.8
219.07573	10.8
220.06007	13.6
225.08682	12.2
227.04001	5.1
231.03256	1.2
237.08687	66.1
238.07143	5.4
243.03613	1.6
255.09677	9.5
269.05005	1.8
273.10825	1.2
335.12613	1.4
353.13489	13.5
371.14517	26.7
385.21524	1.2
389.15530	100.0
389.24066	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1569
Annotation	S-Adenosylhomocysteine-d4
Peak:m/z	Relative Intensity
52.44817	1.3
66.93572	1.4
77.17771	1.4
84.08141	3.2
89.41557	1.6
106.74467	1.6
114.66547	1.5
121.06519	2.4
171.32927	1.6
218.31581	1.7
227.12743	1.8
237.53065	1.8
240.09822	2.5
259.06003	2.3
285.09558	2.3
313.08893	11.2
389.15485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
55.01884	4.0
69.03448	3.3
82.05173	3.1
85.24828	3.1
88.57229	3.1
89.90611	2.9
91.05463	2.9
95.04953	3.5
107.04983	5.9
128.84509	3.1
131.04935	6.1
137.05942	4.0
138.70171	3.0
145.06543	3.8
151.07529	5.1
159.08032	4.3
163.07532	2.9
165.07040	2.7
167.07008	38.6
175.07542	5.9
181.04941	13.8
181.08549	3.5
187.07515	4.7
189.09184	5.9
195.08104	5.3
197.09698	5.1
203.08664	6.2
207.08171	6.8
217.08405	3.8
218.07280	6.6
219.06503	11.8
219.08286	4.9
219.10043	3.5
221.09653	20.0
223.11124	3.9
225.09128	12.3
231.08134	5.0
233.09665	19.6
234.06741	5.1
235.07491	15.0
237.09073	7.2
238.09915	4.6
239.06787	3.5
241.08646	11.5
247.07625	4.4
248.08255	6.4
249.09088	41.9
250.09917	14.4
250.59792	2.9
251.10881	8.4
253.08623	4.9
253.12506	3.4
253.64177	3.0
255.10138	4.7
257.08121	5.0
257.11670	4.0
259.09540	3.1
260.08456	4.0
261.09082	31.2
262.33734	3.1
263.07080	11.7
263.10513	4.8
264.07742	3.5
265.08618	18.2
266.09387	5.1
267.10107	6.5
269.08096	5.2
269.11679	3.2
270.12332	3.2
277.08640	28.0
278.09500	25.2
279.10144	11.9
280.10922	4.1
281.08432	4.0
281.11761	15.9
283.13181	4.6
285.07620	3.3
285.11218	5.3
286.08270	5.9
289.08453	4.3
291.10071	3.3
293.08203	6.5
293.11719	19.0
295.09753	11.9
296.10437	12.2
297.11267	3.5
301.10721	17.3
306.08768	4.3
307.09738	13.3
309.11218	18.5
310.08392	3.6
311.12793	20.3
321.11142	21.0
323.09201	6.5
325.10641	4.7
325.14148	5.7
327.12491	3.5
338.11581	3.1
339.12283	39.8
341.13840	17.7
343.15292	19.6
353.13687	21.8
359.15039	7.0
361.16504	76.1
371.14917	100.0
371.18219	3.7
389.15942	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1587
Annotation	Ailantinol E
Peak:m/z	Relative Intensity
55.01894	3.3
107.04946	7.6
108.06612	3.6
129.07047	4.7
131.04929	4.3
131.08670	3.4
135.30165	3.3
137.05998	16.9
147.14394	3.5
149.05975	4.3
151.03867	4.7
151.07515	8.0
156.30655	3.6
159.08127	4.0
163.07520	6.1
167.07057	41.0
175.07597	5.8
178.44017	3.5
181.05029	4.5
187.07567	5.9
189.08900	3.6
191.07059	6.6
208.25578	4.1
209.09752	4.3
211.07552	3.9
217.08423	5.2
218.07288	7.0
219.06425	6.5
219.08261	5.8
221.09612	18.9
225.09012	4.1
227.07217	3.7
231.08116	7.6
232.08997	7.6
233.09608	19.4
235.07605	6.2
236.08437	5.7
237.09093	14.8
239.07094	4.2
241.08481	4.2
242.91881	4.2
247.07509	14.3
248.08372	8.5
249.09169	31.1
251.10728	5.8
261.09064	34.1
262.18716	4.6
263.07150	14.7
263.10696	7.7
265.08621	20.5
266.09204	4.6
267.10196	16.4
269.08038	5.0
277.08566	22.2
278.09384	15.1
279.10074	14.8
280.10989	4.8
281.11713	23.2
283.09680	7.5
283.13031	4.6
285.07709	3.8
287.09192	4.4
289.08618	4.1
291.06750	4.3
293.08099	14.0
293.11768	23.6
295.09515	8.4
299.12918	3.9
301.10611	14.6
306.08902	5.2
307.09613	16.4
308.10529	6.7
309.11279	23.7
311.12820	15.1
312.83078	4.1
321.11121	19.8
323.09286	3.9
325.14496	8.3
326.11472	5.7
327.12241	6.8
338.11752	4.0
339.12289	37.9
341.13885	17.9
343.15424	19.1
353.13794	22.5
359.14938	17.7
361.16565	80.3
371.14868	100.0
389.12646	8.2
389.15948	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
55.01886	24.5
56.57880	2.5
65.41248	3.0
66.28271	2.3
71.77541	2.4
76.23295	2.8
79.94971	2.8
80.73610	2.9
81.03448	3.1
92.20891	5.0
99.33083	3.3
102.54686	2.8
103.05445	5.3
107.04950	6.0
123.04430	4.3
131.04927	19.1
137.05981	32.4
149.05983	14.3
151.03821	4.9
151.07524	4.0
153.05511	3.6
157.06418	13.0
161.06000	3.7
163.07545	13.5
165.05571	3.3
167.07014	32.4
175.07532	17.1
177.05507	24.1
179.07036	4.7
181.04936	100.0
183.06551	3.2
184.32639	2.8
189.09094	18.0
201.09079	3.1
209.07961	23.4
217.08490	4.7
219.10097	10.5
225.75090	3.0
249.09016	4.6
253.08607	3.2
261.09006	4.7
277.08609	14.5
281.11850	5.3
293.08295	3.5
293.11835	3.9
321.10840	3.3
339.12192	15.3
343.15527	3.5
359.14795	3.5
361.16302	5.1
371.14749	32.2
389.15891	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	24.5
56.57880	2.5
65.41248	3.0
66.28271	2.3
71.77541	2.4
76.23295	2.8
79.94971	2.8
80.73610	2.9
81.03448	3.1
92.20891	5.0
99.33083	3.3
102.54686	2.8
103.05445	5.3
107.04950	6.0
123.04430	4.3
131.04927	19.1
137.05981	32.4
149.05983	14.3
151.03821	4.9
151.07524	4.0
153.05511	3.6
157.06418	13.0
161.06000	3.7
163.07545	13.5
165.05571	3.3
167.07014	32.4
175.07532	17.1
177.05507	24.1
179.07036	4.7
181.04936	100.0
183.06551	3.2
184.32639	2.8
189.09094	18.0
201.09079	3.1
209.07961	23.4
217.08490	4.7
219.10097	10.5
225.75090	3.0
249.09016	4.6
253.08607	3.2
261.09006	4.7
277.08609	14.5
281.11850	5.3
293.08295	3.5
293.11835	3.9
321.10840	3.3
339.12192	15.3
343.15527	3.5
359.14795	3.5
361.16302	5.1
371.14749	32.2
389.15891	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	MEDIORESINOL
Peak:m/z	Relative Intensity
57.55168	0.6
61.90181	0.7
67.05474	0.8
67.40734	0.6
79.05495	0.8
91.05468	4.7
93.07058	0.9
95.71459	0.7
105.07030	3.7
107.04956	3.0
112.98703	0.6
119.04931	3.4
121.06551	6.3
122.07308	1.2
123.08060	0.7
131.08514	0.9
133.06477	4.1
135.08040	3.6
136.34525	0.8
137.05977	7.6
138.06703	1.4
147.04407	4.3
147.07941	1.2
149.05959	10.5
150.06731	1.2
151.03918	7.6
151.07516	9.5
151.63055	0.7
152.08327	26.7
160.58240	0.7
161.05991	1.3
161.09610	0.9
163.07513	3.8
165.09163	5.3
167.07016	2.9
168.07796	0.8
174.06702	2.7
177.05490	3.0
178.06210	3.3
179.07040	3.3
179.10696	1.2
181.04922	1.0
189.05479	13.5
191.10750	0.9
193.08586	5.3
201.28120	0.7
207.06422	1.3
209.11763	12.3
211.09584	3.6
217.08582	1.5
222.08885	2.9
234.22618	0.7
235.09734	1.5
237.11153	4.5
270.50229	0.9
307.01965	0.8
346.09320	1.1
357.13342	12.9
359.10217	3.4
360.10953	3.7
361.16052	1.5
373.11713	0.8
389.15146	100.0
409.72086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1807
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01869	5.7
55.05525	3.8
63.39046	3.0
64.77346	3.0
67.05479	4.4
69.03442	7.8
69.07063	8.0
70.94424	3.0
71.04978	4.2
73.98182	3.9
76.38137	3.4
79.05504	3.8
80.96493	3.3
81.03423	25.5
81.07065	23.8
81.17362	3.5
82.64707	3.4
85.06569	3.8
93.07041	27.5
95.04938	5.3
95.08589	5.8
97.06538	14.0
99.04463	18.6
102.66367	4.0
105.07037	22.3
107.08595	52.8
109.02889	27.0
109.06552	9.1
111.04455	4.0
111.08103	4.4
113.06010	4.8
117.07036	5.0
119.08610	4.8
121.06503	17.4
121.10140	29.6
123.08106	8.8
127.03909	15.0
135.08083	4.1
135.11678	8.0
137.05989	7.0
142.37199	3.8
142.82375	4.1
145.10118	21.8
147.11606	3.9
149.09674	13.9
163.11182	78.9
167.06999	5.4
167.10623	33.1
169.08600	100.0
181.12248	20.5
191.10654	36.8
209.11801	26.5
227.12793	71.8
239.24533	3.6
247.09831	4.2
304.19693	3.9
310.90430	4.5
353.15930	17.2
371.16812	21.8
389.11905	44.3
389.15369	6.4
389.28061	7.3
401.11786	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24430	0.9
55.23255	1.0
55.29910	0.9
56.70881	1.0
62.76492	1.0
67.05510	1.3
69.51786	1.1
71.36557	1.0
71.63117	1.1
76.19559	1.1
79.05505	1.6
81.07049	1.7
86.06066	4.7
90.23033	1.1
95.23483	1.1
107.08643	1.1
109.10150	1.6
113.72906	1.0
132.06566	4.8
153.67271	1.2
184.13203	1.2
241.58272	1.2
262.22614	1.3
389.22937	100.0
389.30334	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79207	0.7
55.01880	0.8
55.20720	0.8
67.05504	2.2
69.07059	1.7
74.56732	0.9
81.07063	2.0
91.05482	1.2
93.07038	2.0
95.08606	4.1
105.07029	1.6
107.08607	1.0
109.10184	0.9
117.06998	1.5
131.08502	1.2
132.06544	0.9
133.10092	1.2
145.10106	1.0
211.64436	1.0
356.08719	2.2
359.07449	14.6
371.22028	1.8
371.26077	1.6
384.48541	1.0
389.12357	14.1
389.22958	100.0
389.31042	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.9
53.29397	2.7
54.20010	3.2
54.99741	3.0
55.01889	2.8
55.05504	6.3
57.03445	46.1
66.62669	3.1
67.05500	19.5
69.07051	5.9
79.05498	21.2
81.03418	24.1
81.07051	24.8
83.08612	7.9
85.06532	7.9
91.05490	47.4
92.20901	2.9
93.07030	22.1
95.04964	4.3
95.08591	19.6
99.04455	100.0
103.44514	3.2
105.07030	34.5
107.04899	4.3
107.08606	13.5
109.06528	41.6
109.10139	6.6
117.07030	43.9
119.08588	31.5
121.06483	5.3
121.10147	3.9
126.66402	2.9
129.06984	16.3
131.08560	35.5
133.06575	3.7
133.10146	13.2
135.08047	18.1
141.06950	3.6
143.08505	23.9
145.10143	33.8
147.08054	44.2
147.11638	4.1
149.09586	4.0
155.08548	7.7
157.10120	28.7
159.11707	8.2
161.09641	19.1
161.20343	3.8
169.09999	5.1
171.11676	16.3
173.13258	7.2
175.10966	4.5
179.10750	4.0
183.11676	6.2
197.13277	3.7
199.14828	15.4
199.50427	3.7
201.12717	20.1
217.15923	40.2
227.18036	4.3
239.53857	4.4
252.75995	3.1
255.17505	15.6
273.18533	69.5
291.19424	15.8
317.17307	5.8
348.15500	13.1
357.62830	3.6
366.16672	8.0
389.12079	5.4
389.22864	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
60.32490	0.7
62.31016	0.8
66.65872	0.8
69.07054	1.2
81.07071	1.1
93.07013	1.0
95.08608	0.9
109.10155	5.2
121.06510	1.9
123.62892	0.9
127.11196	4.9
137.05980	1.7
139.07559	1.4
149.05980	6.8
151.03947	1.6
152.41217	1.1
153.12749	1.0
160.64619	0.9
165.10011	1.0
167.07013	1.4
175.03871	8.1
177.05496	1.7
181.04971	1.9
185.09608	1.1
187.11197	4.1
189.09096	9.9
193.04948	24.5
203.10608	3.6
205.12331	1.4
205.15172	0.9
231.10124	11.6
249.11194	100.0
267.10519	1.1
269.15308	4.6
271.13223	1.5
283.13419	1.0
287.16452	4.3
315.15894	6.1
319.99936	1.1
333.16864	1.5
343.22879	7.4
353.21152	1.9
360.04901	1.0
371.21988	6.2
389.11517	5.1
389.23157	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2682
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
50.67634	2.5
55.05514	15.9
57.07083	3.3
57.68398	2.7
67.05508	33.2
67.43456	2.6
69.03431	6.4
69.07056	15.7
73.02263	2.9
79.05506	23.7
81.03414	15.1
81.07057	34.3
83.08620	6.3
86.02707	2.8
86.06052	5.4
91.05467	17.9
92.20941	3.9
93.07055	29.8
95.04983	5.9
95.06100	4.2
95.08620	29.5
100.09650	3.6
105.07043	24.9
107.08583	17.4
109.10156	15.8
110.07227	3.1
112.08738	6.3
116.47867	3.1
117.07018	18.1
119.08576	17.5
120.38191	3.5
121.06507	7.0
121.10141	16.5
123.04421	13.8
127.03913	3.5
129.06940	4.6
131.08601	22.1
133.06531	5.0
133.10117	13.7
135.11697	7.6
137.68132	3.5
143.08569	12.2
145.06525	5.4
145.10132	18.0
147.08072	3.8
147.11632	3.6
149.05817	3.6
149.13252	4.1
157.10121	4.4
159.08015	4.1
159.11681	5.2
161.13217	5.5
163.14784	3.2
171.11560	4.0
173.13223	11.2
175.07544	3.0
175.14810	3.5
181.44281	3.2
185.13206	4.6
189.09094	3.8
201.16379	3.8
329.25031	6.0
343.26358	6.5
348.27237	16.2
353.24640	12.4
371.25723	53.2
389.26938	100.0
389.30588	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2685
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
54.91040	1.2
55.05525	14.7
55.52573	1.3
55.67276	1.3
57.07075	1.5
60.04527	2.0
61.02921	6.5
67.05511	25.6
69.07080	17.5
71.08620	2.4
73.02903	2.5
76.87136	1.5
79.05492	18.6
81.07062	39.5
83.08617	15.8
85.02922	3.7
85.06558	1.8
91.03925	2.0
91.05478	22.2
93.07048	19.0
95.04966	2.2
95.08603	24.8
97.02921	2.5
97.06528	7.8
97.10179	11.3
98.16262	1.8
105.03469	1.6
105.07040	39.2
107.08589	18.2
109.10143	12.6
111.11780	1.8
111.62122	1.6
117.07039	13.0
119.08575	50.2
121.06536	1.9
121.10139	13.2
123.08106	1.7
125.09663	2.1
129.06998	10.9
131.08572	40.1
133.06444	1.7
133.10124	19.3
135.08038	2.7
135.11732	1.9
137.09561	1.7
139.11159	2.1
141.06996	2.3
143.08582	18.2
145.10133	32.8
147.08017	2.9
147.11711	3.5
147.80997	1.7
154.24960	1.5
155.08549	11.4
157.10123	13.0
159.08090	2.7
159.11708	10.6
161.09610	2.0
169.10127	10.8
171.11725	3.8
173.13264	2.7
181.07597	1.4
181.10158	2.8
183.11682	8.7
184.03683	1.5
185.13260	7.1
185.42514	1.6
187.14821	1.9
190.63597	1.7
195.11655	2.9
197.13200	6.7
199.14825	6.1
203.14395	1.6
205.15710	1.6
209.13179	2.6
211.14780	11.2
219.11646	1.7
219.17322	2.3
223.14891	3.3
225.16388	6.4
227.14388	2.7
229.15849	3.0
243.17406	6.0
247.17064	2.0
261.18488	1.9
287.20425	1.7
289.18091	1.8
311.02823	2.7
325.25360	6.9
335.23502	12.8
343.26389	3.6
353.24734	38.7
353.28802	2.8
371.25806	32.2
371.29865	4.8
389.22107	3.8
389.26859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.268
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.00493	1.8
55.05514	10.0
60.59153	2.0
62.96433	2.0
67.05502	14.6
69.03418	10.1
69.07062	12.8
79.05482	11.1
81.03411	3.6
81.07059	22.9
82.74883	2.5
83.08614	5.0
86.06045	8.7
87.46229	2.5
91.05469	9.2
93.07030	12.2
95.04958	3.0
95.08619	19.7
97.02900	9.5
97.06499	4.0
105.07034	13.7
106.59299	2.3
107.04954	4.1
107.08577	11.1
107.92114	2.6
109.10145	3.0
111.04424	5.0
117.07014	5.6
119.08585	11.4
119.47131	2.3
121.06474	2.4
121.10118	9.5
123.04369	4.7
129.07034	2.7
131.08543	18.0
133.10109	9.0
135.11652	4.7
143.08614	4.7
145.10124	4.6
145.14288	2.7
147.07990	2.8
147.11646	3.7
149.09676	3.2
159.08026	2.8
159.11794	3.5
161.13199	3.6
173.13216	4.0
187.11133	3.4
187.14799	3.1
191.28647	2.7
199.14970	2.5
213.16499	2.8
215.14519	3.3
215.17940	2.8
217.15924	3.4
329.24783	3.2
343.26123	5.2
348.28888	4.3
353.24533	10.4
371.25760	42.3
371.33334	3.2
389.26865	100.0
389.32578	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
61.49889	3.2
64.08922	2.6
69.07077	40.9
81.07068	41.3
93.07033	11.1
95.08574	23.0
97.18568	2.4
105.07041	5.8
107.08607	4.9
107.92146	3.2
109.10147	14.6
121.10121	3.0
123.11705	4.6
131.08569	4.9
135.11684	3.0
137.13237	6.5
143.08589	4.6
145.10141	4.0
147.11673	6.0
149.13237	4.4
157.10101	7.2
171.07967	3.9
171.11696	4.8
173.09642	12.6
175.11128	11.7
183.11687	3.9
185.09671	3.6
185.13251	5.4
189.12759	3.3
199.11197	18.0
199.14963	5.1
203.10803	3.1
209.13179	3.6
212.22032	3.0
213.16370	13.5
216.37074	3.4
220.00476	2.8
241.15904	29.2
245.15326	2.7
245.55070	2.9
247.13338	6.0
250.80383	3.1
255.17403	4.8
279.21051	7.0
283.16898	5.2
297.21936	4.2
315.19641	4.7
339.23358	3.9
357.24243	4.2
371.25775	100.0
389.26743	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2683
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03958	3.2
55.05513	7.5
57.07082	4.3
67.05508	19.7
69.07063	7.8
79.05492	15.0
81.03437	15.3
81.07059	27.6
83.08641	7.8
86.84618	3.3
91.05473	9.2
93.07056	19.7
95.04985	5.7
95.08606	17.4
105.07044	7.4
107.08648	5.7
109.10165	6.1
117.07001	8.8
119.08602	14.6
121.10150	5.1
131.08560	28.3
133.10097	6.2
143.08543	5.4
145.06525	5.3
145.10165	5.8
157.10274	4.3
161.13205	4.0
173.13274	4.6
299.36594	3.8
319.21078	4.2
353.24930	7.4
371.25781	35.4
389.22852	12.5
389.26935	100.0
389.31079	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	43.6
57.07079	48.0
63.04192	3.2
67.05497	47.8
69.07073	100.0
71.08630	38.3
72.04524	7.0
81.07063	97.0
83.08619	80.8
85.06558	7.9
85.10195	14.8
86.06061	3.8
91.05472	8.2
93.07046	23.9
95.08606	90.3
97.06541	8.2
97.10171	72.4
100.07632	5.8
107.08559	25.5
109.10161	45.7
111.08067	6.6
111.11699	24.5
114.09238	4.3
119.08582	21.2
121.10144	25.2
123.11686	29.3
125.09664	6.3
125.13284	15.5
133.10123	26.3
135.11710	8.4
137.09663	4.2
137.13252	5.8
147.11661	17.1
149.13216	7.9
151.11307	3.8
161.13248	15.7
163.14847	4.1
165.12837	5.0
165.16437	5.2
167.14349	4.4
175.14864	5.5
179.14285	5.5
184.16904	7.5
188.47687	3.7
191.17773	3.8
196.74153	4.6
200.16455	7.6
273.25732	24.9
291.26703	55.9
308.29477	59.0
309.27927	8.1
326.30527	92.3
327.28873	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	31.9
57.07086	52.3
59.03739	2.6
67.05517	47.6
69.07076	89.2
71.08634	48.6
72.04509	14.1
79.05502	7.3
81.07063	78.3
83.08627	76.3
85.06553	13.6
85.10176	24.5
91.05518	5.0
93.07045	19.4
95.08613	97.2
97.06525	7.0
97.10184	62.4
100.07616	5.5
105.07003	5.2
107.08603	18.1
109.10181	45.3
111.08096	5.7
111.11761	20.9
114.09174	6.1
119.08571	19.0
121.10125	22.0
123.11700	20.6
125.13303	6.6
133.10139	17.0
135.11690	17.3
137.13280	7.0
141.12811	3.5
147.11684	14.8
149.13220	10.9
155.14296	14.9
161.13220	6.4
163.14909	3.1
165.12764	11.9
168.13718	3.4
175.14821	4.2
179.18024	3.9
184.16890	4.3
189.16412	4.8
195.17548	4.1
200.16504	4.5
245.50227	3.8
273.25760	19.6
291.26813	36.3
308.29523	44.0
309.27649	7.1
314.41754	3.2
326.30496	100.0
327.28897	69.6
353.32846	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.4
57.07090	4.8
67.05497	18.6
69.07068	70.5
79.05496	5.1
81.07040	29.5
83.08615	14.3
86.77959	3.7
93.07051	17.8
95.08618	37.3
97.10181	6.8
105.07046	4.8
107.08598	26.7
109.10163	21.3
111.11714	16.5
119.08611	6.4
121.06504	4.6
121.10167	24.7
123.11703	6.4
133.10114	5.4
135.11687	17.0
143.10645	24.9
144.10954	8.1
147.11717	4.3
149.13307	4.7
221.73836	3.6
290.17523	4.1
310.43185	4.3
388.99371	4.2
389.34256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75914	1.8
95.08608	2.3
95.71411	2.2
97.10157	3.1
107.18439	2.3
108.54633	2.1
139.07599	3.0
167.07028	5.7
183.10191	4.3
183.11929	2.8
184.10570	3.1
197.55573	2.3
200.12784	11.0
201.13187	20.1
275.44955	2.6
289.97537	2.6
334.10757	2.4
347.94183	2.5
360.04816	62.0
361.11154	3.5
374.11438	3.1
375.06967	15.4
390.09384	100.0
390.13571	12.5
390.30527	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0969
Annotation	Bhimamycin D
Peak:m/z	Relative Intensity
50.59317	0.5
56.96556	0.9
57.03468	0.5
61.29021	0.7
64.64819	0.5
79.05507	1.0
86.09691	1.0
87.25347	0.7
127.60966	0.6
147.69121	0.6
149.05946	0.7
166.19875	0.7
193.05492	0.7
212.42006	0.8
242.57182	0.6
243.08977	1.1
277.11130	2.7
292.09332	0.6
295.12006	0.8
308.15164	0.9
313.14606	1.3
314.08121	3.2
316.09869	1.0
320.09143	12.5
331.15805	9.3
342.07608	4.0
344.09180	9.4
349.13333	2.2
349.16943	19.3
367.17953	1.5
370.07217	2.5
372.08661	83.3
373.09210	4.2
390.09622	100.0
390.16669	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
58.06584	4.4
67.43820	0.9
69.03419	1.5
81.03390	5.9
85.02872	4.5
86.09688	2.0
97.02832	1.7
98.97599	1.4
99.03844	1.5
99.04458	42.3
109.02808	1.3
117.05453	4.1
127.03888	2.4
132.65421	1.1
149.05865	4.0
157.84315	1.0
158.99596	1.8
174.96822	2.5
177.00656	1.3
177.07841	1.0
179.66293	1.1
195.06500	1.4
208.06912	1.9
208.09523	1.5
212.98486	1.5
214.69655	1.4
216.97949	1.5
226.08556	1.3
227.09370	4.3
234.98988	19.3
240.10211	2.2
241.10881	6.2
254.08064	2.7
255.08760	5.5
256.09698	1.2
261.09634	1.2
270.07523	10.3
270.10876	1.7
271.08325	7.1
273.09912	5.1
282.07425	4.9
285.09766	1.4
286.10706	19.7
289.03409	2.0
299.07806	1.9
312.08667	26.5
314.06686	2.1
314.10147	20.3
315.07065	1.9
317.08624	1.5
319.04614	9.1
321.08560	1.3
328.11627	2.5
330.09695	91.2
344.11060	1.9
357.08389	2.5
358.08896	1.8
372.06326	1.9
372.10764	54.0
372.21719	1.2
390.11572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	9.1
63.29827	1.0
66.91981	1.1
73.44344	1.2
86.09676	1.2
91.84740	1.1
162.90979	1.2
226.08569	6.3
227.09421	20.1
241.10948	11.8
242.11679	9.0
255.08899	34.5
259.08371	6.8
267.06595	2.1
268.09692	1.3
270.11194	15.3
271.08441	13.0
275.05502	2.5
282.61945	1.2
283.08316	5.0
285.07513	2.0
286.10754	15.8
299.07861	20.8
301.09232	1.5
314.10193	100.0
358.08936	2.2
358.12982	1.5
390.11642	54.9
390.15829	8.4
406.60263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	9.1
63.29827	1.0
66.91981	1.1
73.44344	1.2
86.09676	1.2
91.84740	1.1
162.90979	1.2
226.08569	6.3
227.09421	20.1
241.10948	11.8
242.11679	9.0
255.08899	34.5
259.08371	6.8
267.06595	2.1
268.09692	1.3
270.11194	15.3
271.08441	13.0
275.05502	2.5
282.61945	1.2
283.08316	5.0
285.07513	2.0
286.10754	15.8
299.07861	20.8
301.09232	1.5
314.10193	100.0
358.08936	2.2
358.12982	1.5
390.11642	54.9
390.15829	8.4
406.60263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36460	0.4
94.26727	0.4
100.00582	0.4
256.26538	0.6
262.33203	0.5
304.09631	0.6
318.07587	11.0
319.08719	0.6
319.11880	3.7
332.09125	5.8
333.09900	11.8
346.10706	19.4
347.11578	5.2
358.10663	2.7
360.08606	7.2
362.10236	0.9
362.17334	2.0
374.10223	26.4
375.10971	8.1
390.13071	31.1
390.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	29.2
59.03376	0.7
59.81914	0.7
60.69536	0.6
66.01443	0.8
67.91986	0.9
77.98396	0.8
80.79810	0.7
84.94724	0.9
87.03989	0.8
91.90584	0.8
95.79490	0.8
98.07307	0.8
123.50897	1.0
129.40302	0.8
140.75066	0.8
143.38725	0.8
212.04732	3.5
215.07001	1.0
216.76981	0.8
237.05534	1.5
239.07130	1.6
241.08600	4.9
243.06560	16.2
254.05753	23.0
254.08305	1.7
257.08029	1.8
269.08063	100.0
270.05258	1.0
271.05954	4.5
285.07550	11.3
287.50217	0.9
295.06021	9.8
299.09073	1.7
326.45071	0.9
327.08597	1.7
330.07288	15.5
338.52200	0.9
345.09662	34.0
390.11115	2.9
390.15436	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1544
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
50.05055	1.2
50.50542	1.1
54.34443	1.4
58.06351	2.3
58.06609	45.3
59.73223	1.5
61.84087	1.3
78.08697	1.3
84.77115	1.5
110.98680	1.7
115.06321	1.7
151.00163	1.9
174.74545	1.6
213.05264	1.6
229.69942	1.6
239.06952	2.3
241.08588	6.1
243.06490	14.7
254.05739	20.9
257.07886	2.6
269.08051	100.0
271.06046	6.7
285.07507	15.6
295.06000	9.8
330.07190	11.7
345.09717	30.9
357.12161	2.6
372.14581	12.5
380.94263	1.6
390.15408	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15990	0.7
58.06314	1.1
58.06605	28.7
59.60085	0.7
66.59331	0.7
103.35226	0.8
124.62732	1.2
125.03300	0.8
162.14532	0.8
198.85686	0.9
211.07574	0.9
212.04675	1.8
213.05467	1.3
215.06746	1.1
224.64201	0.9
232.40466	0.8
237.05438	1.5
241.08650	4.8
242.05643	1.5
243.06557	14.7
251.07100	1.1
254.05711	23.3
257.08112	2.0
262.92322	0.9
269.08063	100.0
271.05997	4.8
283.09464	1.0
285.07571	14.9
295.06180	8.4
299.08963	1.3
330.07367	14.4
332.65280	0.8
345.05569	1.5
345.09671	32.8
346.12064	0.9
390.15417	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46371	0.5
53.81021	0.6
58.06609	26.4
67.56405	0.6
92.21379	0.8
119.48341	0.8
125.67460	0.7
162.07042	0.6
185.69424	0.7
199.07434	0.8
211.07352	0.7
212.04625	1.4
213.05502	1.3
237.05392	4.0
241.08569	4.1
243.06517	13.1
251.06924	1.2
253.05075	1.4
254.05730	25.8
257.08224	2.5
267.06622	1.2
269.08072	100.0
270.05090	0.9
271.06021	3.7
285.07529	14.8
295.06033	8.9
299.09125	1.6
321.31232	0.8
327.08652	1.1
330.07382	18.9
345.09671	30.3
381.04718	0.7
390.15427	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1544
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
53.14950	0.6
58.06607	100.0
58.18831	0.6
63.11108	0.6
70.07678	0.6
73.57507	0.7
124.06704	0.6
259.38000	0.8
269.08194	0.7
299.09213	1.0
327.08636	3.7
372.14453	1.6
390.15460	87.8
397.03128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	57.5
64.83873	1.0
66.47102	1.3
70.06590	1.2
71.73524	1.1
84.08150	1.9
88.07637	2.9
93.19606	1.1
94.00318	1.1
99.04459	1.4
109.49615	1.1
121.06521	6.4
136.06184	1.4
147.04471	6.3
151.70883	1.3
163.06291	1.8
164.07088	5.5
171.08037	1.4
178.08569	1.6
181.05057	2.3
181.06517	1.7
188.04732	1.6
193.04991	2.7
194.05786	1.4
205.05106	2.5
206.05807	2.3
207.06584	2.0
221.04483	1.7
225.09180	3.0
226.06258	1.4
237.05513	2.9
241.08672	1.7
243.06554	18.8
253.08466	6.3
254.05762	21.2
257.08139	4.9
267.06628	2.2
269.08060	100.0
271.06082	6.6
280.03680	1.4
281.08212	6.3
285.07593	16.4
285.10947	2.1
290.08154	2.2
292.09634	2.7
295.05930	9.5
295.09851	1.2
299.09085	2.5
312.09521	2.8
313.10104	8.8
318.07446	2.1
319.08603	2.8
320.09293	1.8
321.10202	1.7
323.09210	4.9
327.08820	2.8
330.07449	15.9
330.10791	3.0
331.12170	5.6
334.10764	12.2
341.10141	8.5
345.09644	34.8
372.14392	2.8
372.18329	1.6
373.12881	8.9
390.15387	96.9
390.23294	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05608	1.0
58.06609	100.0
63.56982	1.0
65.86333	1.0
72.08135	1.3
77.31608	1.0
78.62318	1.1
84.08152	2.4
85.02914	1.5
86.09685	1.6
88.21479	1.1
129.10255	1.3
148.06091	1.5
157.59108	1.1
166.08615	1.3
176.47690	1.2
228.06935	1.7
256.62259	1.2
259.33121	1.3
268.45047	1.5
284.09311	1.8
298.07220	1.5
314.06552	1.6
326.06461	1.6
327.08630	5.6
330.05969	1.9
372.07117	2.7
372.14624	1.8
390.08029	5.6
390.15500	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1546
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
51.53030	0.6
57.45579	0.7
58.06610	42.3
66.21989	0.7
69.03447	0.8
70.06606	0.8
74.06097	0.8
75.00095	0.8
79.20689	0.8
84.08151	15.4
84.79561	0.7
97.11559	0.8
113.78629	0.7
124.91274	0.7
137.06056	0.7
138.29593	0.9
144.10280	4.1
165.05484	0.7
176.65129	0.9
184.30930	0.7
211.07599	4.5
213.09148	1.1
225.05565	1.2
227.09518	4.8
232.25595	0.9
239.07040	19.9
241.08665	7.9
241.11043	3.3
241.49692	0.8
242.11798	1.2
255.08948	11.8
256.07578	1.2
257.08109	18.7
257.10553	1.3
259.08438	1.6
267.06528	37.3
270.05209	10.7
270.11331	3.8
271.08646	1.2
273.10034	1.6
280.03778	4.1
283.08398	3.0
285.07587	75.4
286.10855	5.4
288.08847	1.3
295.06097	6.3
299.08325	3.7
301.10004	1.1
314.10214	27.2
327.08652	1.7
345.09735	9.8
358.09091	1.5
358.13016	3.1
372.14676	1.5
390.11737	13.2
390.15717	100.0
390.21179	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42610	0.5
55.11340	0.6
58.06607	33.1
58.32377	0.6
60.55254	0.5
65.42790	0.7
74.16311	0.6
197.05995	0.9
209.05907	0.9
209.29288	0.6
212.04733	1.1
213.05551	2.1
215.07010	1.1
225.05525	1.0
226.06122	1.0
237.05396	1.4
239.07040	1.3
241.08571	4.6
243.06512	18.5
253.04884	0.8
254.05750	22.6
257.08041	4.2
267.06500	1.2
269.08066	100.0
271.05975	5.7
285.07532	12.9
286.08487	0.8
295.06082	7.5
299.09158	3.7
307.08521	1.0
313.07239	0.8
330.07336	15.4
345.09662	33.2
390.15451	73.9
399.55020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14063	0.2
63.45759	0.2
65.43306	0.2
65.73065	0.2
120.92070	0.3
157.80864	0.3
165.11266	0.3
192.99324	0.2
229.07558	0.4
230.09599	0.3
304.09906	0.4
318.07556	7.9
332.09100	4.4
333.09967	8.2
349.16827	0.4
362.17386	1.9
367.17856	0.3
390.16968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81243	0.3
55.21842	0.3
56.96508	0.9
64.89733	0.3
68.42957	0.3
68.43322	0.3
69.39152	0.3
75.32701	0.3
79.34322	0.4
109.82410	0.3
185.04765	0.4
223.06393	0.9
223.08388	0.5
225.07901	0.6
230.48787	0.4
239.09384	0.6
241.07428	11.5
243.08942	0.7
257.10416	0.5
259.08499	6.5
271.12140	0.5
277.11023	0.8
279.12659	3.1
292.09619	2.2
297.13715	1.5
313.14767	6.4
318.07535	0.5
320.09174	100.0
331.15796	17.3
349.13327	1.4
349.16882	21.6
360.08481	5.4
367.14148	0.5
367.17957	5.2
375.10803	1.9
390.13202	3.5
390.17081	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16946	0.2
101.46527	0.3
102.29103	0.3
104.81861	0.3
174.05453	0.3
177.20079	0.3
239.10480	0.3
239.73668	0.3
290.08087	0.4
304.09766	0.6
305.10556	1.2
318.07620	7.2
332.09140	4.6
333.09900	8.6
346.10800	0.7
362.17532	1.6
374.10236	0.5
390.16989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81243	0.3
55.21842	0.3
56.96508	0.9
64.89733	0.3
68.42957	0.3
68.43322	0.3
69.39152	0.3
75.32701	0.3
79.34322	0.4
109.82410	0.3
185.04765	0.4
223.06393	0.9
223.08388	0.5
225.07901	0.6
230.48787	0.4
239.09384	0.6
241.07428	11.5
243.08942	0.7
257.10416	0.5
259.08499	6.5
271.12140	0.5
277.11023	0.8
279.12659	3.1
292.09619	2.2
297.13715	1.5
313.14767	6.4
318.07535	0.5
320.09174	100.0
331.15796	17.3
349.13327	1.4
349.16882	21.6
360.08481	5.4
367.14148	0.5
367.17957	5.2
375.10803	1.9
390.13202	3.5
390.17081	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
150.77019	0.4
212.56647	0.5
279.17770	0.4
318.07599	9.0
319.12045	3.6
332.09268	4.5
333.09943	9.7
346.10748	16.0
347.11554	3.4
358.10831	1.9
360.08643	6.5
362.17487	2.2
374.10202	22.3
375.11044	6.0
390.13113	24.7
390.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	13.6
61.02931	1.2
63.78152	0.8
63.80033	0.8
69.03393	1.1
76.51053	0.9
78.15769	0.8
79.05534	1.0
81.99595	0.8
85.02910	12.3
97.02899	3.5
103.05482	0.9
105.07037	25.5
111.92560	1.0
115.05465	4.2
119.04935	4.1
127.03921	1.2
133.06487	43.5
143.06032	4.4
145.04953	0.9
147.04454	1.2
149.05977	2.2
151.07535	4.5
161.05971	100.0
167.07010	1.5
168.07892	2.0
179.07091	1.4
180.08681	2.3
193.08595	66.6
196.07318	1.5
211.09668	12.1
267.06445	1.1
272.37717	1.0
390.11578	3.9
390.15695	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
56.84565	1.9
56.96567	8.7
69.07062	2.5
74.85500	1.9
91.05460	2.1
105.06989	2.8
114.44637	2.1
115.51723	2.7
128.10497	2.2
135.59335	1.9
142.88457	2.2
145.10211	2.1
160.89143	2.1
185.04875	2.8
189.04463	2.6
199.06380	4.3
213.07997	12.3
217.07460	5.1
225.07976	5.0
229.07507	4.4
231.09038	21.3
239.09602	4.0
243.09187	8.6
245.10738	2.2
247.08401	2.7
249.07954	2.5
251.09555	12.3
253.11221	4.2
255.09016	21.1
267.09018	40.2
269.10562	86.2
271.12384	2.7
273.10141	10.8
285.10068	38.0
287.11655	35.2
292.12350	3.5
302.34085	2.5
303.11063	3.2
331.12155	2.2
331.15750	11.0
349.16928	31.2
361.12808	2.3
367.17929	100.0
385.18985	12.6
391.97879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
56.84565	1.9
56.96567	8.7
69.07062	2.5
74.85500	1.9
91.05460	2.1
105.06989	2.8
114.44637	2.1
115.51723	2.7
128.10497	2.2
135.59335	1.9
142.88457	2.2
145.10211	2.1
160.89143	2.1
185.04875	2.8
189.04463	2.6
199.06380	4.3
213.07997	12.3
217.07460	5.1
225.07976	5.0
229.07507	4.4
231.09038	21.3
239.09602	4.0
243.09187	8.6
245.10738	2.2
247.08401	2.7
249.07954	2.5
251.09555	12.3
253.11221	4.2
255.09016	21.1
267.09018	40.2
269.10562	86.2
271.12384	2.7
273.10141	10.8
285.10068	38.0
287.11655	35.2
292.12350	3.5
302.34085	2.5
303.11063	3.2
331.12155	2.2
331.15750	11.0
349.16928	31.2
361.12808	2.3
367.17929	100.0
385.18985	12.6
391.97879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	6.8
65.39156	0.3
84.78089	0.4
85.02878	0.4
93.07029	0.9
95.04948	0.6
107.04939	0.4
116.31331	0.4
121.06505	100.0
138.09145	32.8
138.10225	1.0
151.83972	0.4
183.35808	0.4
324.72504	0.4
339.64911	0.4
390.11514	2.0
390.15457	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
58.91792	0.4
71.62669	0.4
73.02911	0.9
74.06072	0.8
76.24223	0.4
88.07623	4.0
95.67165	0.4
99.04455	27.5
101.02377	9.5
104.07097	1.9
145.04958	100.0
170.34827	0.5
213.62724	0.5
228.23248	2.1
242.24815	1.8
246.24203	2.3
342.26355	2.9
390.28470	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
58.91792	0.4
71.62669	0.4
73.02911	0.9
74.06072	0.8
76.24223	0.4
88.07623	4.0
95.67165	0.4
99.04455	27.5
101.02377	9.5
104.07097	1.9
145.04958	100.0
170.34827	0.5
213.62724	0.5
228.23248	2.1
242.24815	1.8
246.24203	2.3
342.26355	2.9
390.28470	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37380	0.5
50.79174	0.6
53.52538	0.6
55.01882	1.1
56.05036	0.7
58.53195	0.6
58.94742	0.6
61.63428	0.5
61.86811	0.5
64.74761	0.6
73.02924	1.5
74.70631	0.6
77.33511	0.7
88.07629	3.9
99.04457	30.9
101.02370	8.9
104.07097	2.6
111.32908	0.6
145.04962	100.0
183.88844	0.8
246.24220	3.1
342.26370	2.2
349.13187	0.9
349.17203	0.9
352.84857	0.7
367.12112	1.0
390.28494	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.7
64.37734	0.4
67.05513	0.8
69.07034	0.7
71.08631	3.9
81.07059	0.7
83.08618	0.7
83.67756	0.5
85.10172	1.1
86.06069	0.6
91.89536	0.6
95.08614	2.3
106.06561	1.3
107.04951	6.0
107.96690	0.5
121.59480	0.5
134.06065	1.1
135.04419	13.9
143.11401	0.5
152.07065	100.0
206.08504	0.5
344.72620	0.5
348.28510	1.0
349.29117	9.2
357.98776	0.8
390.29996	26.5
390.34897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14917	1.1
56.48808	1.0
62.83186	1.0
67.05501	2.4
69.07079	5.5
71.04985	1.2
79.05509	4.7
80.13166	1.2
81.07062	5.7
83.08626	1.1
84.04489	1.8
85.06525	1.2
86.06091	1.7
86.09715	100.0
90.43681	1.2
91.05468	2.3
93.07045	6.4
95.08637	2.1
95.63264	1.1
100.60909	1.1
105.07034	6.6
107.08608	5.2
109.10139	2.0
117.07020	2.0
119.08585	9.2
121.06464	2.2
121.10175	2.6
129.09134	2.2
131.08571	2.3
132.10214	41.8
132.11215	1.4
133.10120	8.9
135.11716	5.7
145.10130	2.4
147.11685	8.4
149.13255	3.0
157.10138	1.8
159.11710	2.4
161.13275	7.8
163.14763	1.6
171.11729	1.6
173.13193	2.0
175.14792	5.5
185.13158	2.3
185.19827	1.2
241.19560	5.0
259.20569	13.8
344.29510	5.1
390.24081	2.1
390.29910	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20378	1.1
51.42615	1.1
51.77673	1.2
55.28941	1.1
81.27820	1.4
85.55685	1.3
87.04434	1.8
103.83039	1.3
109.07659	3.2
110.07144	1.7
128.72211	1.4
233.16440	2.7
304.29813	7.8
306.70862	1.5
317.29169	2.0
333.29263	2.1
344.30615	3.1
345.28769	8.9
346.95184	1.9
363.29770	8.7
372.30087	26.9
390.30917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93899	1.1
53.84819	1.0
55.88374	1.1
56.05032	3.7
57.07079	3.1
58.06596	15.2
60.04518	1.6
60.24712	1.1
69.07071	2.4
74.06082	7.3
79.59986	1.4
82.06590	3.1
83.08617	2.2
86.06071	65.7
86.09700	2.0
87.04484	1.6
88.07629	13.9
90.05568	3.2
95.08584	1.4
95.31738	1.7
97.10152	2.1
99.53001	1.5
100.07643	2.5
102.05544	6.2
104.07085	2.9
109.10151	1.6
116.07115	2.0
132.06569	49.0
183.60257	1.7
197.51115	1.6
280.30191	1.9
282.28085	1.7
296.29550	3.0
308.29550	2.8
326.30496	6.0
344.31616	2.6
372.31186	7.4
390.32141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77528	1.2
55.05508	4.0
56.05035	7.3
56.45790	1.3
57.03421	1.4
57.07074	9.2
58.06596	1.5
59.29962	1.4
60.04532	67.5
67.05510	7.1
69.07055	9.3
70.06609	11.4
71.08624	6.3
72.04512	9.8
74.06081	1.9
79.05487	7.6
81.07069	8.4
82.06568	2.9
83.08632	6.5
84.04501	1.9
85.10171	2.5
86.06064	21.9
86.09695	6.9
86.22845	1.8
88.07635	22.0
88.14036	1.6
89.94305	1.5
90.05557	14.3
93.07047	8.1
95.08611	11.9
97.10163	2.9
102.09183	12.6
107.08620	5.3
107.52057	1.5
109.10144	3.7
115.34694	1.6
121.10128	8.2
132.06570	12.9
135.11673	3.3
151.35104	1.4
252.26797	11.7
254.28413	3.6
264.24246	2.7
264.26855	45.8
265.25220	8.2
270.28064	3.5
282.27887	70.5
284.29468	69.1
324.28772	1.8
336.28781	2.6
354.30054	17.4
366.87537	1.7
366.92957	1.6
372.31046	100.0
372.34500	3.8
390.31763	29.1
390.35730	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	6.8
57.07080	1.6
58.06604	15.7
60.04532	2.5
60.47054	1.2
60.87432	1.0
67.05499	1.1
69.07076	1.5
69.55007	1.1
70.06596	2.4
71.08625	1.2
74.06089	2.9
78.19302	1.2
81.07089	1.6
82.06585	4.7
83.08632	1.8
86.06071	64.9
86.09692	1.9
88.07613	15.3
90.05544	7.5
95.08633	1.5
100.07634	1.4
102.05564	10.2
104.07109	5.1
108.99295	1.2
116.07037	2.3
128.98666	1.1
132.05576	2.0
132.06558	43.8
165.26405	1.2
282.27930	5.8
296.29504	1.3
308.29437	4.4
326.30640	5.6
347.03387	1.2
354.30042	1.6
372.31046	7.6
375.83905	1.3
390.32135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.2
56.05050	2.6
57.07079	4.6
58.06612	5.4
69.07077	3.3
70.23429	2.8
71.08636	16.5
74.06109	3.3
76.58870	3.0
81.07043	3.7
83.08637	18.9
86.06055	6.1
88.07648	30.6
93.07066	4.0
95.08598	5.6
99.08086	6.6
100.11263	67.8
104.07121	4.1
107.08560	4.0
109.10180	3.9
119.08622	4.3
132.10210	5.4
135.11678	4.4
135.36435	2.8
137.09554	3.2
140.10690	2.8
162.11221	4.4
165.12764	16.6
175.14758	3.7
260.76541	2.8
291.23172	22.1
298.31012	52.7
312.38855	3.3
342.33725	13.8
390.34705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86904	0.6
52.69921	0.7
56.55079	0.6
57.07077	3.9
57.95798	0.7
58.06604	0.7
59.52554	0.6
70.06593	12.2
71.08628	1.9
85.10197	1.1
86.09698	3.2
88.07626	10.9
99.58512	0.8
101.06019	1.7
102.09199	5.6
103.19443	1.0
114.22990	0.8
126.87051	0.8
130.85210	0.8
132.10193	10.5
146.11760	10.1
240.26776	1.3
242.24782	1.1
266.28445	1.6
284.29483	45.5
328.32083	54.5
331.62631	0.9
372.34744	1.6
390.35794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	4.1
57.07076	2.8
58.06616	7.3
60.04514	0.7
71.08622	3.5
74.06085	3.6
86.06079	5.8
88.07635	19.7
100.07652	0.9
104.07104	5.7
118.08600	1.1
132.10202	6.4
149.02371	3.7
150.02718	1.6
158.52910	0.8
162.11253	3.7
164.38965	0.9
166.10745	3.4
172.38931	0.7
194.09247	1.0
247.33133	0.7
298.31027	39.3
310.31030	0.9
326.61789	0.7
328.32370	0.9
342.33710	12.9
349.28198	1.4
350.71014	0.8
372.34714	1.0
390.31219	7.3
390.35779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	3.1
58.06612	0.7
65.56590	0.6
70.06242	0.7
70.06600	13.3
71.08620	3.6
72.08157	1.4
77.39713	0.6
82.54519	0.5
84.08141	1.2
85.10175	1.0
86.09697	1.3
88.07640	5.6
102.09186	3.0
132.10213	14.1
139.03990	0.6
146.11774	11.9
168.24063	0.6
170.82864	0.7
194.13803	0.6
240.26846	3.8
266.28387	1.5
284.29483	17.9
328.32074	76.4
372.34470	0.8
390.35742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85060	0.5
55.09801	0.5
57.07073	3.5
58.47900	0.5
60.33858	0.5
69.06972	0.7
70.06584	9.2
71.08627	2.3
72.08164	1.2
74.57513	0.6
84.08133	1.3
86.09691	1.1
87.04433	0.8
88.00316	0.6
88.07627	8.1
97.74216	0.6
102.09160	4.2
110.20390	0.6
114.09188	0.6
132.10205	13.4
146.11740	10.6
240.26849	3.0
266.28476	2.6
284.29440	27.7
328.32062	70.6
372.34769	0.9
390.35736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87472	0.5
57.07075	3.5
67.05469	0.7
70.06593	9.0
71.08617	2.4
72.08172	0.8
79.05492	0.7
84.08146	2.6
85.10181	1.1
86.09693	2.7
88.07639	7.3
93.07005	0.6
102.09184	2.6
107.08543	0.7
132.10202	13.4
146.11768	12.0
170.58734	0.6
240.26907	3.0
266.28384	2.7
268.10968	0.6
284.29459	19.7
328.32086	65.2
349.29068	1.5
390.27634	2.5
390.35757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68653	0.5
57.07071	3.1
59.72562	0.6
61.25317	0.5
62.29592	0.6
70.06595	9.4
71.08627	2.6
72.08150	1.2
76.75604	0.6
81.07066	0.7
84.08136	1.2
85.10175	1.1
86.09705	1.2
88.07637	1.4
93.07085	0.7
95.08661	0.7
102.09159	0.6
117.06947	0.6
132.10213	14.6
134.74214	0.6
146.11771	12.9
146.33249	0.6
172.72450	0.6
210.26971	0.6
215.07275	0.6
240.26842	3.0
266.28436	3.0
268.33057	0.7
284.29449	8.1
303.80029	0.7
328.32086	73.4
390.35779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28665	0.5
57.07074	3.1
61.58940	0.6
62.48932	0.5
67.04916	0.8
70.06596	10.8
71.08620	1.3
71.36826	0.6
72.08153	1.1
78.03754	0.7
82.27469	0.7
84.08157	0.7
85.10193	1.2
86.09716	1.0
88.07623	6.5
89.06037	0.8
93.72308	0.6
101.25566	0.8
102.09188	2.7
130.65024	0.6
132.10187	10.5
144.99162	0.6
146.11760	11.6
152.94212	0.6
167.11787	0.7
174.80490	0.7
179.05270	0.7
227.93961	0.8
240.26817	2.7
266.28345	2.7
280.74896	0.7
284.29465	18.4
328.32086	71.4
372.34967	0.8
390.35767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66181	0.5
57.07076	2.9
69.07069	0.5
70.06590	10.9
71.08634	1.5
72.08141	1.5
84.08128	1.1
85.10163	0.9
86.09696	1.4
87.12299	0.6
88.07646	7.7
102.09175	4.2
132.10208	11.6
146.11784	11.6
196.83276	0.6
240.26907	3.7
244.92581	0.7
265.33344	0.6
266.28461	1.2
284.29480	24.7
284.32529	1.2
328.32086	63.2
372.34659	1.5
374.78491	0.6
390.35788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.0
60.32127	0.4
70.06596	10.4
71.08632	1.4
72.08162	0.8
84.08166	1.1
85.10188	0.6
86.09687	2.8
88.07626	3.2
89.28425	0.5
89.33548	0.5
97.30125	0.5
100.62828	0.6
102.05556	2.3
102.09172	1.3
132.10207	11.6
146.11757	11.1
171.93726	0.6
194.85750	0.6
240.26918	2.2
266.28375	2.3
284.29382	9.8
328.32095	73.6
389.56287	0.6
390.35767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23271	3.5
54.60291	3.9
55.05545	3.3
55.54390	3.9
57.30761	3.4
59.98712	4.3
85.06538	18.7
101.00837	5.5
103.02467	5.7
117.04016	6.3
119.01900	59.7
137.02994	9.0
145.03462	86.8
149.02251	6.5
150.81200	4.4
155.05682	4.4
159.05045	9.7
161.02933	5.0
161.06541	7.0
163.04518	95.8
171.01459	4.4
171.05000	7.2
173.06580	9.7
175.04526	45.5
177.06227	4.6
181.05624	5.5
185.06573	4.9
187.04492	75.0
187.08195	6.8
189.02417	89.9
189.06041	7.9
189.13025	5.5
193.05624	29.6
197.02968	4.7
197.06523	6.6
199.04546	57.4
201.06079	28.8
203.07764	4.7
205.05547	38.9
207.03496	48.1
211.04410	6.1
213.06136	24.3
215.03986	36.7
217.05580	80.3
219.07098	6.8
220.07022	5.7
227.03983	7.0
229.05568	36.0
231.03503	50.5
231.07088	6.5
243.03522	31.1
243.07118	5.3
245.05083	33.4
247.06677	6.4
249.04546	9.9
257.05017	27.0
273.04474	5.9
273.08154	17.2
275.06058	20.2
287.05984	38.1
305.07184	45.9
317.07178	43.7
329.07224	9.8
347.08237	100.0
373.06207	6.4
391.07065	95.0
391.11371	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63960	1.1
58.06601	2.1
58.27795	1.0
70.06578	1.9
84.08127	2.2
85.02887	1.4
88.03982	6.7
95.29917	1.1
99.04438	4.1
107.04958	15.4
116.07020	1.5
120.01146	1.6
121.06503	9.6
122.31271	1.1
124.33699	1.2
137.00552	1.7
143.03337	1.6
143.27808	1.1
148.07526	1.9
149.02315	1.1
164.07047	1.7
167.01617	2.5
170.47580	1.1
175.02109	2.0
178.45618	1.2
193.03133	9.5
196.04234	6.7
205.02954	1.1
212.12892	1.3
230.13815	7.3
239.05202	5.0
241.08514	1.2
252.07761	2.8
253.08487	4.9
254.09308	19.3
267.04709	23.4
269.06384	1.2
269.10132	1.4
285.05740	42.2
286.07861	2.2
287.07355	21.4
291.20477	1.1
303.09253	1.6
304.09827	4.3
307.16269	1.4
328.46783	1.3
355.18607	4.6
372.52420	1.1
373.19931	1.4
391.13068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	26.1
59.06927	4.2
65.46918	0.6
77.19250	0.7
82.28535	0.7
84.52620	0.7
92.21559	0.6
99.04485	0.7
110.42873	0.7
170.55376	0.7
193.36504	0.7
212.04527	0.8
213.05150	1.5
226.06027	0.8
238.05890	3.1
239.06908	0.8
240.07431	1.5
241.08485	1.5
242.08923	3.7
243.06442	6.7
244.06818	11.8
254.05655	7.0
255.06035	20.2
257.08130	0.8
258.08533	3.1
268.06897	1.0
269.08054	25.9
270.08392	100.0
271.05862	2.7
272.06320	3.9
281.04034	1.1
285.07507	3.7
286.07895	14.1
290.32565	0.7
295.06036	1.2
296.06314	8.5
296.97754	0.7
300.09415	1.6
330.07333	4.0
331.07669	21.5
345.09631	4.1
346.10010	33.6
391.15778	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	3.3
70.06585	5.0
70.68616	1.8
81.03403	2.8
86.09705	10.9
98.09695	2.0
99.04430	2.0
116.07091	26.8
128.10701	4.1
136.07581	4.3
137.05971	35.8
147.06773	4.5
148.07547	22.4
149.02319	4.2
149.08377	3.8
153.88504	2.0
162.09113	48.1
164.10687	29.1
165.07956	2.7
170.08141	4.5
178.08618	26.2
180.10159	9.5
184.09605	2.0
190.08607	7.9
194.11784	2.8
207.11270	33.3
210.11325	2.3
212.12813	20.5
229.15508	3.0
230.13858	84.6
242.10208	4.4
269.10406	29.8
271.11975	4.2
281.80957	2.2
284.12799	100.0
307.16476	35.9
314.13821	39.9
332.14963	3.8
342.15674	9.7
343.16498	68.2
355.18683	56.3
373.17114	51.4
391.11096	3.5
391.20758	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05484	1.0
51.65711	0.9
52.75668	0.9
56.39499	1.1
57.07114	0.9
58.06606	13.6
59.06940	1.6
61.94909	0.9
65.51231	1.1
69.03448	2.1
70.06596	6.9
72.08151	2.7
76.21254	1.0
79.05453	1.0
81.03423	5.7
84.08156	2.3
85.02905	2.5
86.09698	15.4
96.04514	2.0
98.09669	1.5
99.04474	2.1
104.38784	1.5
108.04501	1.1
114.05580	1.6
116.07092	29.8
116.61456	1.1
128.07043	2.7
128.10719	6.8
135.08008	1.7
138.05473	2.0
138.52768	1.3
149.02399	1.3
152.10748	1.4
156.06538	1.5
164.10709	29.4
166.12189	1.5
168.10153	2.2
170.08115	7.7
194.08102	6.2
194.11787	10.0
196.13354	1.6
212.12823	20.4
214.14313	2.0
229.15424	9.4
230.13867	100.0
242.10136	2.4
282.28763	1.3
307.16507	39.5
315.10657	4.9
337.17676	4.6
355.18634	64.2
359.13196	5.9
373.19678	25.4
391.09903	1.5
391.15625	7.7
391.20709	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	2.2
59.01245	1.3
59.10274	1.2
63.02456	1.3
70.06583	6.6
71.09134	1.3
73.48277	1.4
81.03430	2.6
81.19607	1.8
85.02934	1.5
86.09692	17.6
93.21626	1.3
95.59790	1.2
96.04527	2.3
97.02889	1.6
98.09684	2.7
114.05524	2.6
116.07100	28.0
121.06512	1.6
128.10698	7.0
134.05969	2.7
136.07578	1.8
137.05984	36.1
147.06804	5.5
148.07579	20.0
149.02394	2.7
149.08394	1.9
153.05411	2.2
162.09123	43.4
164.07089	1.4
164.10701	30.6
165.07857	2.7
168.10149	2.1
170.08116	7.6
178.08612	24.6
180.10194	9.1
183.38982	1.7
184.09546	1.7
190.08636	8.4
192.58809	1.6
194.08134	5.7
194.11760	8.2
207.11299	26.8
210.11227	3.6
212.12802	24.3
213.36823	1.7
226.55568	1.7
229.15439	6.8
230.13853	100.0
237.12302	2.4
242.10208	3.3
243.12013	1.7
256.09177	1.6
268.09619	2.2
269.10422	25.9
271.11917	2.5
284.12784	81.1
307.16461	45.1
314.13873	37.3
315.10574	8.3
332.14944	3.6
337.17542	2.7
342.15762	9.8
343.16473	58.5
355.18625	62.8
373.17737	36.3
374.84824	1.8
391.11536	3.0
391.20770	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31824	2.3
64.79537	2.3
83.08647	2.8
90.03808	2.4
92.61823	2.5
95.06815	2.7
133.42163	2.6
133.92250	2.6
149.02318	19.9
209.11238	2.5
266.71069	2.7
277.57376	3.4
369.00537	3.0
391.20792	100.0
391.24841	9.0
404.68298	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29112	0.9
52.74947	1.0
55.01871	6.5
55.05524	15.4
57.03436	7.0
57.07082	10.0
67.05518	12.1
69.07074	23.1
71.08630	4.8
74.97215	1.2
78.63388	1.1
78.94680	1.0
79.05495	5.7
81.07068	17.3
83.08623	26.3
91.05476	1.8
92.13290	1.3
93.07058	11.6
95.04939	1.5
95.08610	12.1
97.06549	8.4
97.10171	17.4
98.98469	63.1
105.07036	2.6
105.11311	1.1
107.08593	8.0
109.10135	6.5
111.08111	2.0
111.11720	2.4
117.07005	1.4
118.07177	1.1
119.08570	2.2
121.10141	19.9
123.11707	4.3
123.15205	1.4
135.10829	1.2
135.11673	11.9
137.13231	2.5
145.10196	1.3
149.02333	8.0
149.13280	2.0
155.01038	100.0
160.35696	1.3
163.14915	1.6
174.09462	1.2
207.11615	1.2
219.20973	9.7
237.22131	32.1
318.15927	1.3
391.26254	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99819	0.8
55.05521	12.0
57.03441	4.5
57.07075	4.3
62.51289	0.9
65.37337	0.7
66.78636	0.8
66.84605	0.8
67.05511	15.0
67.30867	0.8
69.07065	23.0
71.08620	4.4
79.05484	6.9
80.45337	0.8
81.06621	1.2
81.07062	27.6
83.08627	18.0
91.05466	0.9
91.63307	0.8
93.07036	9.2
95.08611	20.7
97.06515	6.1
97.10175	11.2
98.98466	55.4
99.08089	1.2
107.08599	8.2
108.76082	0.8
109.10158	6.1
111.08072	5.2
111.11739	1.8
115.91008	1.0
119.08490	0.9
121.10141	17.7
123.11686	5.3
135.11676	13.0
137.13269	1.5
139.11131	1.2
143.19028	0.9
149.02380	6.0
149.13239	5.1
151.32173	1.1
155.01038	100.0
163.14777	1.3
177.92642	0.9
201.88072	0.9
219.21072	10.7
221.65019	1.0
237.22115	33.4
291.16299	1.2
309.17252	12.3
322.63126	1.0
327.18076	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99819	0.8
55.05521	12.0
57.03441	4.5
57.07075	4.3
62.51289	0.9
65.37337	0.7
66.78636	0.8
66.84605	0.8
67.05511	15.0
67.30867	0.8
69.07065	23.0
71.08620	4.4
79.05484	6.9
80.45337	0.8
81.06621	1.2
81.07062	27.6
83.08627	18.0
91.05466	0.9
91.63307	0.8
93.07036	9.2
95.08611	20.7
97.06515	6.1
97.10175	11.2
98.98466	55.4
99.08089	1.2
107.08599	8.2
108.76082	0.8
109.10158	6.1
111.08072	5.2
111.11739	1.8
115.91008	1.0
119.08490	0.9
121.10141	17.7
123.11686	5.3
135.11676	13.0
137.13269	1.5
139.11131	1.2
143.19028	0.9
149.02380	6.0
149.13239	5.1
151.32173	1.1
155.01038	100.0
163.14777	1.3
177.92642	0.9
201.88072	0.9
219.21072	10.7
221.65019	1.0
237.22115	33.4
291.16299	1.2
309.17252	12.3
322.63126	1.0
327.18076	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77983	2.9
56.49974	3.3
57.07083	5.4
66.74757	3.7
70.06590	4.5
72.39290	3.5
77.98587	3.9
88.07609	17.0
89.24994	3.6
102.09177	6.3
145.78185	4.4
149.02316	22.7
255.32207	4.8
284.29318	8.3
285.29788	65.1
370.38208	4.3
391.22418	100.0
391.27249	6.9
391.36188	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86179	0.2
58.55592	0.2
65.10619	0.3
73.94089	0.2
80.29033	0.2
114.26928	0.2
123.71389	0.2
130.74823	0.2
142.81155	0.3
149.02357	0.6
150.26126	0.3
278.25671	0.3
354.81845	0.3
391.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35450	0.5
60.60261	0.5
65.71075	0.6
69.81375	0.6
78.03678	0.7
84.57075	0.7
103.57340	0.7
121.07477	0.6
121.12431	0.7
317.24731	0.7
329.11929	0.8
377.46909	0.7
391.24527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
89.27525	1.1
108.94976	1.0
115.37630	1.0
125.37456	0.9
137.23883	1.0
149.02364	4.7
150.88780	0.9
151.91200	1.0
196.34193	1.0
205.66830	1.2
313.46066	1.1
322.77982	1.0
353.85147	1.2
391.24536	100.0
398.49222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82504	0.5
61.66283	0.5
63.42725	0.5
67.20030	0.5
71.08599	0.6
101.90635	0.6
110.44571	0.6
129.97902	0.5
149.02383	2.4
158.19666	0.6
224.61885	0.6
274.53384	0.6
391.24564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20148	1.1
55.70867	1.0
59.58614	1.0
67.05515	1.5
69.07086	1.2
81.00233	1.1
81.07050	1.9
88.07642	1.4
91.05499	2.3
95.08613	1.6
99.04452	4.6
101.02384	1.6
105.07021	1.6
107.06020	1.1
111.09238	1.2
145.04948	9.8
146.05278	5.7
149.02391	5.6
171.11661	1.5
247.32071	1.6
285.56247	1.4
391.24530	100.0
391.28699	6.7
401.35498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73254	1.6
71.08611	1.7
73.95944	1.5
94.06226	1.8
98.98470	7.4
121.10120	1.9
149.02357	10.9
155.01085	2.7
192.15932	1.8
197.87799	1.9
278.71487	1.9
313.46674	1.9
361.08972	9.7
391.13892	16.2
391.24539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04287	0.7
53.26009	0.6
55.05514	0.9
57.07063	0.7
58.87534	0.6
67.05508	1.3
71.94984	0.7
72.15009	0.8
79.05506	1.4
81.07047	1.6
83.08640	1.3
91.05481	0.8
91.07207	0.7
93.07036	1.7
95.05009	0.8
95.08604	1.0
97.06532	1.5
97.10164	0.8
99.04440	1.5
105.07020	1.7
107.08615	1.6
108.78500	0.6
119.08585	1.6
121.10160	0.9
125.09660	1.0
133.10060	2.6
142.73187	0.7
145.10127	0.9
149.02342	3.0
149.09637	1.3
159.11649	0.9
173.13138	1.0
177.81631	0.7
192.71390	0.7
275.20291	2.4
350.20001	5.5
373.23529	2.8
379.25180	0.9
391.24539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55863	1.6
55.05507	2.6
57.07055	2.1
59.67000	1.5
61.49746	1.6
67.05508	4.2
69.07062	4.2
71.08630	2.9
79.05502	3.3
81.07065	13.7
83.08604	3.8
85.06583	2.1
87.52560	1.8
89.79946	1.8
91.05492	3.3
91.70360	1.9
93.07050	8.6
95.05040	2.6
95.08611	7.6
96.31268	1.7
97.06520	2.0
97.10165	2.7
99.04485	2.1
101.69057	1.8
105.07036	8.9
107.08591	8.6
109.06474	2.7
109.10147	3.9
117.06945	2.3
119.08549	8.1
121.10110	2.4
123.08025	2.3
131.08539	7.4
133.10168	9.3
135.08037	2.8
135.11642	2.0
145.10114	3.8
146.58414	1.8
149.02371	10.9
159.11670	2.0
181.55260	1.9
196.71007	1.9
275.19998	4.2
285.77530	2.1
355.28445	3.6
373.23355	2.2
391.24548	100.0
391.28708	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94345	1.7
51.42032	1.4
52.11988	1.8
53.03946	3.4
55.01876	2.7
55.05521	22.6
55.85748	1.6
57.03445	2.4
58.09568	1.7
62.14844	1.5
67.05505	33.8
69.07065	11.0
70.06583	2.2
71.05005	2.2
79.05495	52.3
81.03427	4.8
81.07068	26.9
83.04986	22.9
83.08608	12.0
88.07657	2.3
91.05501	15.3
93.07040	37.4
93.52678	1.9
95.04928	2.6
95.08608	14.4
97.10175	18.6
99.04456	22.7
103.00418	1.8
105.07021	27.5
107.04943	14.9
107.08604	51.5
109.06492	3.6
109.10143	18.1
111.08061	3.3
117.06998	9.7
119.08587	26.3
121.10167	14.9
125.09650	16.9
131.08554	11.8
132.10204	2.2
133.10109	23.7
135.08060	7.7
135.11696	8.7
145.10136	14.4
147.11647	14.1
149.02325	3.9
149.09612	58.0
153.09134	2.1
159.11737	2.2
163.14851	3.1
169.12312	4.6
171.11711	2.8
173.13271	7.3
189.11227	29.3
209.15376	11.3
224.08313	2.0
229.19530	4.7
239.17955	2.1
257.19031	19.7
275.17001	3.4
275.20041	100.0
285.29761	8.3
287.15076	2.4
293.21017	3.2
316.55112	2.2
328.32138	3.2
329.32431	23.6
372.90277	2.5
391.24707	4.6
391.36069	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
55.01881	3.0
55.05519	28.1
56.65207	1.6
57.07068	1.4
58.72267	1.3
61.13507	1.4
63.85986	1.2
67.05510	29.8
69.07074	7.9
70.06596	2.6
71.04967	1.5
75.47342	1.4
79.05494	52.4
79.07214	1.4
81.03428	7.1
81.07066	24.2
83.04980	21.1
83.08641	11.6
88.07616	2.1
91.05482	21.9
93.07047	35.8
95.04971	1.8
95.08610	15.6
97.06557	2.8
97.10162	17.7
99.04466	28.0
105.07027	26.8
107.04964	21.2
107.08598	54.5
109.06533	2.3
109.10169	20.4
111.08053	2.6
117.07018	7.5
119.08571	20.9
121.10154	19.3
123.08056	1.6
123.11701	6.4
125.09642	17.2
129.07045	1.6
131.08582	16.6
132.10240	2.8
133.10120	23.4
135.08040	3.3
135.11678	2.5
145.10107	13.0
147.11659	14.5
149.02327	6.5
149.09628	63.3
149.13203	1.7
153.09055	2.9
159.11693	7.0
161.13293	2.8
163.11055	1.9
163.14796	2.8
167.10684	1.6
169.12204	6.3
171.10239	2.8
171.11754	1.9
173.11772	2.4
173.13261	3.7
187.13309	3.6
189.11232	23.5
191.14273	2.2
209.15347	18.4
219.17432	2.9
229.19519	2.8
257.18994	20.3
275.20062	100.0
285.29712	8.4
293.21051	9.3
329.32462	25.1
391.24692	9.9
391.36108	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.7
57.03428	1.6
57.07072	3.5
66.36399	1.6
67.05502	13.5
69.07079	13.1
71.08627	2.1
74.58216	1.7
79.05490	9.3
79.35349	1.6
81.03404	8.6
81.07061	22.6
83.04961	2.8
83.08633	7.9
91.05487	8.6
93.07050	21.3
95.04945	8.6
95.08588	12.8
95.91904	2.0
97.06526	4.2
97.10178	3.0
99.04450	30.5
105.07037	22.6
107.04993	2.6
107.08610	16.4
109.06535	7.7
109.10146	4.5
115.86234	1.9
117.07009	7.3
119.08584	21.4
121.06484	10.6
121.10133	13.1
123.08084	2.8
131.08531	14.1
133.06573	2.6
133.10124	24.6
135.11687	7.8
143.08556	3.2
145.10129	16.6
147.08008	2.7
147.11728	14.2
149.02354	7.9
149.09608	2.8
155.01048	2.7
156.12474	1.9
157.10188	3.4
159.11674	9.6
161.09584	2.6
161.13208	2.9
163.11122	2.2
169.10101	2.3
171.11685	2.7
173.13219	2.4
175.11208	4.0
191.14314	2.0
197.13316	2.2
201.12640	2.2
207.13812	2.1
257.18951	8.3
275.20053	100.0
293.21054	22.2
345.19107	2.8
373.27106	8.5
391.24152	25.9
391.28610	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.91026	1.5
60.14521	1.4
61.59222	1.4
67.05492	8.7
69.07090	2.3
70.02959	4.2
71.04970	1.3
74.02429	11.1
78.45158	1.5
79.05492	13.1
81.07059	15.8
87.05592	67.6
88.03992	35.3
91.05475	8.9
93.07037	18.9
95.08607	11.5
104.60624	1.7
105.07019	10.4
107.04877	1.7
107.08611	12.2
109.10149	7.1
116.03451	10.0
117.07008	1.8
119.08583	14.0
121.10134	11.7
131.08588	3.5
133.06081	100.0
133.10094	16.0
135.11673	16.0
143.08562	2.5
145.10118	6.7
147.11688	17.5
149.02379	11.9
149.13268	10.8
153.09171	2.8
157.10135	2.6
159.11685	9.0
161.13248	23.1
163.14859	2.8
171.11697	2.2
173.13248	3.1
175.14784	15.2
185.13194	2.7
220.40102	1.7
241.19481	13.3
259.20572	29.7
279.12515	3.5
280.12979	9.1
297.13715	4.1
298.14053	9.3
332.16107	3.4
350.17264	2.8
373.24570	3.7
374.23172	53.1
377.60275	2.2
391.07925	3.1
391.17932	2.6
391.25317	54.0
391.29446	15.3
398.87515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27023	1.3
62.55500	1.2
67.05505	8.3
69.07075	2.2
70.02948	7.5
74.02429	8.0
79.05488	9.2
79.27486	1.4
81.07064	15.5
87.05590	55.7
88.03991	43.1
91.05469	7.5
91.29984	1.5
92.20978	1.7
93.07042	19.3
95.08612	11.0
105.07052	10.8
107.08586	9.6
109.10133	3.3
112.36974	1.5
116.03445	10.2
117.07013	3.3
119.08572	16.5
121.10145	10.1
131.08566	8.5
133.06082	100.0
133.10112	15.7
135.11664	10.8
143.08614	1.5
145.10120	6.5
147.11694	13.0
149.02347	10.5
149.09583	2.4
149.13258	7.9
157.10123	2.7
159.11687	9.2
161.09651	1.7
161.13251	16.4
171.11699	3.6
173.13217	6.2
175.14854	8.2
185.13225	2.8
199.14757	2.7
233.92355	1.5
241.19438	12.0
243.46692	1.5
259.20560	26.6
264.54645	1.5
322.07175	1.6
322.10895	1.7
328.23068	2.4
346.23740	2.5
350.04993	3.4
350.14435	1.8
374.18869	2.3
374.23267	46.6
391.07831	2.4
391.20938	3.1
391.25616	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	3.4
64.58849	2.9
67.05511	6.6
74.02432	4.6
79.05494	6.5
81.07063	7.6
87.05597	63.7
88.03994	44.6
91.05486	3.8
93.07029	16.5
93.60882	3.5
95.08598	5.4
105.07003	15.1
107.08604	8.4
116.03453	8.7
119.08569	18.4
121.10138	13.6
133.06097	100.0
133.10123	18.0
134.77782	3.5
135.11690	16.0
147.11685	16.5
149.02339	20.2
149.13289	7.0
159.11630	4.9
161.13249	13.4
175.14911	5.4
241.19400	13.0
259.20636	28.4
270.22482	3.9
288.50916	3.5
314.35577	4.4
324.58469	4.2
345.02704	5.7
374.23227	52.6
391.07620	4.4
391.25571	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86309	1.1
57.07076	1.8
62.46874	1.2
65.05128	1.2
67.05511	7.9
69.07069	2.8
70.02956	6.7
73.15989	1.5
74.02441	7.7
79.05496	8.1
81.07066	10.2
82.58814	1.6
83.08605	1.8
87.05593	53.9
88.03989	33.7
91.05480	7.7
93.07028	17.4
95.08592	8.4
104.22580	1.7
105.07044	12.9
107.08607	8.4
109.10162	3.7
116.03428	8.5
119.08583	14.3
121.10138	12.6
129.50003	1.6
131.08580	1.8
133.06096	100.0
133.07101	3.7
133.10118	14.6
135.11667	12.9
145.10126	2.8
147.11667	16.6
149.02345	7.5
149.13286	7.3
157.10173	2.6
159.11722	3.5
161.13239	17.5
171.11638	3.1
175.14819	9.6
185.13226	2.2
241.19510	11.0
259.20566	28.8
293.75250	1.5
374.18994	1.9
374.23242	48.2
391.11246	1.9
391.25839	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33009	1.2
52.32383	1.2
54.23298	1.1
55.01869	2.2
55.05507	7.1
56.05021	2.6
57.07071	6.5
57.07349	1.1
57.71723	1.2
58.06600	13.6
58.59491	1.3
60.04538	1.2
60.85319	1.1
67.05503	11.0
69.03426	1.4
69.07063	8.2
70.06589	2.1
71.08629	2.0
74.06070	3.3
79.05499	15.2
81.03417	1.2
81.07066	26.3
82.06573	1.3
83.05018	2.0
83.08625	5.8
85.06564	1.3
85.37077	1.5
86.06069	49.7
86.09731	2.4
87.06398	9.3
88.07646	13.2
90.05539	6.6
91.05467	11.8
93.07037	19.5
95.04974	17.7
95.08605	11.0
97.06532	2.4
97.10172	2.8
99.04459	5.8
100.07616	1.4
102.05534	7.7
104.07095	5.1
105.07007	27.5
107.08567	13.8
109.06509	3.1
109.10174	6.9
116.07086	2.6
117.07005	6.4
119.08569	21.7
121.06536	6.0
121.10121	16.0
123.08027	1.7
123.11717	3.1
128.07059	1.3
129.06973	1.9
131.08572	8.0
132.06563	36.3
133.06931	9.9
133.10146	8.4
135.08038	2.5
137.09650	1.6
142.07806	5.3
143.08549	12.0
145.10139	20.5
147.08058	1.8
147.11699	8.3
149.02338	8.4
149.09621	5.8
149.13290	1.8
154.26936	1.3
155.08534	3.3
156.09349	2.6
157.08983	1.6
157.10083	13.3
159.08015	1.9
159.11716	11.0
161.09695	2.5
162.37091	1.4
167.08582	2.1
168.09268	1.8
169.10101	10.4
171.08005	1.6
171.11659	9.8
173.13249	7.2
181.10141	6.4
183.11670	7.3
184.12489	1.4
185.13275	2.9
187.11263	2.5
191.14238	2.3
193.10114	2.5
195.11717	6.1
196.12411	2.0
197.13280	5.4
199.14806	3.0
207.11673	6.6
208.12462	2.6
209.13211	8.8
211.14767	2.1
219.11665	2.6
221.13254	7.0
223.14877	3.0
225.93797	1.6
233.13177	2.3
233.15309	1.8
235.14731	3.3
239.14134	1.6
247.14737	2.3
249.16364	8.9
263.18027	2.4
267.17462	2.2
275.20041	8.9
281.30469	1.5
282.19955	2.0
283.28217	3.2
295.20792	1.9
297.18527	2.7
297.29742	3.1
309.29706	2.5
327.30762	5.2
350.16898	1.6
355.30338	2.2
373.25211	9.8
373.31323	7.4
391.26077	67.8
391.32370	100.0
406.72235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33279	3.4
55.05531	4.4
55.38582	3.2
57.07082	3.9
67.05513	9.9
69.07060	7.7
71.21943	3.7
79.05510	30.3
81.07051	42.3
88.53926	3.8
91.05494	22.5
93.07048	44.2
95.04957	4.8
95.08603	33.0
105.07037	54.7
107.08572	36.6
109.06533	6.0
109.10169	41.1
112.03455	4.0
117.07034	6.3
119.08558	50.0
121.10139	47.0
129.07033	6.1
131.08542	25.4
133.10164	38.0
133.11066	3.9
135.11665	21.9
143.08569	20.8
145.10100	54.3
145.42384	4.8
147.11714	7.9
149.02310	17.3
156.09326	6.4
157.10085	45.9
159.11714	22.3
161.13243	10.2
163.32632	4.3
169.10150	8.9
171.11653	18.0
173.13249	24.6
175.14851	7.4
183.11719	9.4
185.13254	10.2
187.14877	17.1
193.09958	5.0
195.11688	21.3
196.12596	5.0
197.13235	19.2
198.38031	4.3
200.48964	4.0
209.13216	19.5
211.14832	8.2
223.14883	15.7
237.16356	6.7
251.17778	5.8
266.20251	6.1
391.26285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62456	2.5
56.97381	2.6
57.07088	34.9
71.08633	35.8
85.10181	17.9
86.06073	4.9
89.06029	100.0
93.81750	3.5
95.08627	3.8
107.07092	3.8
109.10111	3.9
133.08627	23.5
142.39877	3.7
149.02359	47.6
167.03386	4.5
177.11261	4.1
195.12334	25.5
204.78084	4.3
251.04730	7.8
279.23776	4.0
382.39154	3.7
391.33835	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07041	4.1
52.95441	5.0
64.76134	5.8
68.32556	6.6
79.05475	6.9
79.13743	7.5
87.05579	38.6
88.03970	29.7
90.79386	5.3
106.07401	5.8
114.27606	6.3
133.06085	53.4
134.06441	12.1
145.10147	7.0
149.90990	6.1
207.58046	6.2
260.20959	9.4
306.07678	32.2
334.06845	7.6
349.09293	14.8
350.10071	8.8
351.18488	30.7
364.11588	100.0
375.23563	43.1
376.15298	6.8
392.10767	72.4
392.18625	36.1
392.27139	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90461	0.7
55.26959	0.8
57.73467	0.7
61.43029	0.7
63.60747	0.8
66.22073	0.8
83.90451	0.9
90.17484	0.9
94.85056	0.8
102.36961	0.8
135.04410	1.6
140.44029	0.9
153.05452	4.1
164.71088	1.0
195.06552	2.0
213.07553	2.2
306.07303	1.0
311.75043	1.1
316.05862	3.5
318.07474	3.3
320.08905	1.1
333.17120	1.2
334.06903	1.3
334.10822	1.5
348.08395	1.8
349.09229	10.1
364.11554	100.0
374.09949	2.0
376.15610	3.4
392.10992	63.0
392.18878	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43298	0.3
57.03437	0.6
58.06626	3.2
69.03427	3.9
70.03764	0.5
72.75282	0.5
81.03445	0.5
85.02896	4.9
87.20984	0.5
90.05547	0.6
91.03968	0.5
97.49419	0.5
99.04472	1.9
100.04844	0.5
101.53409	0.4
111.04413	0.5
125.06016	1.1
127.04015	0.6
145.04993	0.8
149.06003	2.3
153.05450	17.5
173.57573	0.5
180.08650	0.9
195.06506	15.7
215.05782	0.6
230.08081	100.0
309.46307	0.5
392.13095	23.3
392.18198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12518	0.4
53.12464	0.3
53.39182	0.3
78.20298	0.3
109.56447	0.4
113.53042	0.4
124.10745	0.3
153.05496	3.2
193.21535	0.4
248.44075	0.4
292.09857	0.5
302.11633	0.5
306.07675	0.9
307.08289	0.5
308.09296	0.5
316.09628	0.7
320.09171	5.2
321.09933	1.0
330.07681	0.6
330.11298	2.1
331.12143	2.0
332.12842	2.4
334.10693	3.9
336.12268	0.8
344.09189	3.0
346.10657	2.2
348.08630	24.3
348.12274	2.1
349.13098	0.8
358.10794	1.7
359.11398	2.2
360.12280	30.3
362.10199	30.8
364.11603	0.5
376.11887	2.3
377.12509	6.1
392.14899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32330	0.4
72.90556	0.6
74.46152	0.5
85.02911	0.7
86.20911	0.6
90.15554	0.5
132.25751	0.6
133.39223	0.6
133.61174	0.6
135.04436	1.2
149.14844	0.6
153.05469	4.0
154.24162	0.6
175.18538	0.6
185.25999	0.5
195.06586	0.9
261.89432	0.7
319.08484	0.7
320.09052	6.9
321.09866	1.0
330.07828	0.7
330.11334	1.0
331.11929	0.9
332.12836	2.8
334.10739	3.8
344.09198	3.4
346.10800	2.6
348.08667	25.8
348.12201	1.3
349.13141	1.0
358.10559	1.2
359.11435	2.7
360.12302	28.3
362.10193	30.3
376.11710	1.3
377.08633	0.7
377.12570	5.0
392.14911	100.0
392.60352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94307	0.6
55.30618	0.6
56.30327	0.5
67.23692	0.6
75.76028	0.6
83.77776	0.6
111.74903	0.7
123.93879	0.7
153.05466	1.0
157.13766	0.6
167.81860	0.7
172.03969	4.0
190.04987	100.0
218.04482	8.6
265.40338	0.7
307.08423	1.6
316.21695	0.7
334.07062	19.2
334.11127	0.9
335.08154	0.8
348.08676	2.7
349.09457	19.2
350.10114	4.9
358.10843	1.0
374.13846	1.1
392.14926	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54676	0.3
63.01949	0.4
63.64791	0.3
66.87755	0.3
74.93233	0.3
74.96610	0.3
76.79457	0.3
115.63776	0.4
228.17958	0.4
285.07791	0.4
306.07660	0.5
316.09616	0.6
318.11310	0.6
320.09146	5.9
321.09995	1.5
330.07523	0.8
330.11349	1.7
331.08545	0.5
331.12076	1.9
332.12885	1.7
334.10663	4.4
344.09241	2.8
346.10764	2.2
348.08646	26.5
348.12317	2.3
349.13077	1.5
358.10632	1.4
359.11526	2.2
360.12289	31.6
362.10211	29.6
362.14789	0.8
376.11719	1.4
377.12552	6.4
392.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13691	0.3
64.01685	0.2
77.24439	0.3
83.41838	0.3
110.98789	0.3
146.13696	0.3
239.53304	0.3
292.09729	0.5
306.07651	0.6
316.09506	1.6
318.11432	0.5
320.09180	5.4
321.09875	0.7
330.07767	0.5
330.11279	2.1
331.12161	1.5
332.12729	2.4
334.10568	4.3
342.11481	0.5
344.09140	3.3
346.10822	1.8
348.08633	24.3
348.12167	1.7
349.13098	1.6
358.10828	0.7
359.11469	1.7
360.12286	28.9
362.10220	27.8
376.11786	2.0
377.12567	5.9
387.79581	0.3
392.14917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88429	0.6
55.01872	1.2
65.21575	0.6
67.05527	2.4
69.07066	0.7
73.19685	0.6
79.05490	0.8
81.07059	1.4
83.04975	2.9
85.06573	1.0
91.05473	1.1
93.07025	1.7
94.36121	0.6
95.08623	0.8
97.06522	1.4
105.07059	0.9
107.08597	1.5
109.10141	2.7
111.04437	16.1
111.08082	5.6
113.86922	0.6
117.06940	1.0
120.08094	30.9
121.10125	3.4
125.09647	0.8
131.08557	1.0
135.11693	5.0
145.10133	3.5
147.11591	0.9
149.09622	0.9
153.12715	8.2
163.11148	14.2
166.08621	6.9
173.09677	1.2
181.12247	14.5
191.10675	10.5
203.41556	0.7
209.11772	3.7
227.12793	14.3
274.10132	0.8
300.73624	0.7
320.09235	1.0
328.19107	1.3
331.11847	0.9
333.18970	1.4
334.10785	5.2
346.20078	11.6
348.08517	10.5
348.12332	29.1
348.16699	1.0
349.49194	0.7
351.20291	1.7
360.12326	5.4
362.10214	16.7
369.21262	1.4
374.19525	7.1
376.11780	25.4
377.12579	24.1
377.16849	0.8
392.14902	100.0
392.20358	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
85.60026	0.5
116.64327	0.4
153.05505	3.6
213.07520	0.8
303.12439	0.6
306.07587	0.7
316.09540	0.6
320.09244	6.0
326.45377	0.6
330.11243	1.8
331.11990	1.0
332.12915	2.1
334.10724	4.1
344.09210	3.6
346.10635	1.0
348.08646	22.7
348.12320	2.0
349.13098	1.1
358.10718	0.7
359.11459	1.2
360.12296	32.6
362.10220	31.4
376.11929	2.6
377.12515	7.5
392.14938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28273	0.5
56.51131	0.5
96.89787	0.6
112.23141	0.6
120.06090	0.6
151.56108	0.7
166.88701	0.7
172.03961	4.2
190.04977	100.0
195.07510	0.6
218.04477	8.5
221.88524	0.6
273.31781	0.8
334.07080	22.3
335.07855	2.5
344.09195	1.3
349.09436	18.9
350.10220	3.6
358.10626	2.6
359.11230	1.1
360.12183	1.0
362.10233	1.1
374.13831	1.3
392.14865	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85057	0.8
53.52791	0.7
57.03429	1.0
57.45287	0.8
58.06607	33.5
61.02922	1.3
66.94138	0.8
69.03432	4.0
71.36430	0.8
73.02909	1.2
73.81516	0.8
74.36964	0.8
81.03400	2.1
85.02903	21.1
87.83495	0.8
96.06921	0.9
97.02898	5.4
99.04427	1.2
105.06977	1.2
107.04959	5.3
109.02901	1.3
127.03896	4.1
135.04422	32.5
145.04976	3.7
153.05467	100.0
159.11620	2.0
163.03891	9.6
167.07025	1.1
180.08727	2.0
195.06522	32.6
204.41003	0.8
213.05637	1.7
213.07578	38.1
230.10210	4.0
230.54134	0.9
243.19649	0.9
246.49513	0.8
297.11224	4.0
313.81339	0.8
341.16064	2.0
342.16864	6.9
358.16046	1.1
392.15982	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66512	0.5
55.93162	0.5
57.07416	0.6
57.28278	0.6
57.53610	0.6
58.06619	0.9
59.11605	0.6
61.02917	1.5
65.13930	0.6
69.03414	2.7
69.93571	0.5
70.06585	1.2
76.70104	0.6
79.23322	0.6
79.59995	0.7
79.80612	0.7
85.02906	23.2
97.02905	5.2
99.04475	0.8
105.48767	0.7
107.04958	4.6
127.03929	5.0
128.71205	0.6
135.04413	29.5
141.14540	0.7
145.04935	4.3
153.05460	100.0
153.13234	0.6
163.03847	6.7
180.08618	4.3
195.06517	31.0
213.07562	30.5
216.72812	0.7
221.93306	0.6
230.10172	3.7
262.80142	0.6
286.71426	0.7
338.79858	0.7
392.15717	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1698
Annotation	Oxostephasunoline
Peak:m/z	Relative Intensity
52.04153	0.6
54.57584	0.6
58.06609	16.4
60.26757	0.6
67.41458	0.7
82.49985	0.8
85.02904	1.1
95.92606	0.7
113.34543	0.8
118.10610	0.8
137.05989	1.3
147.35091	1.0
153.05351	0.8
167.07082	1.6
193.06528	1.0
195.08087	1.1
211.07570	1.7
212.04701	3.3
212.08299	1.9
213.07452	1.0
223.07515	14.7
224.08302	4.3
226.06221	1.8
227.07008	6.8
229.08650	3.4
235.07643	5.9
237.05411	1.3
239.07040	12.5
240.04195	1.6
240.07736	6.5
241.08563	3.2
251.06999	1.7
252.04135	1.0
253.08339	0.9
254.05812	1.3
255.06505	10.2
255.10251	1.5
256.03528	0.9
256.07343	3.9
267.06516	34.6
268.07321	1.0
269.08081	24.4
271.06036	12.1
271.09653	17.8
272.06760	1.1
279.06512	13.0
281.08093	1.1
283.09604	12.0
283.60483	0.8
285.07642	5.5
286.08295	1.2
293.08142	5.9
297.07626	4.3
299.09177	8.6
311.09091	12.1
314.07715	1.6
315.08557	5.6
329.10202	19.4
347.11200	4.2
392.17020	100.0
408.45010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1703
Annotation	Oxostephasunoline
Peak:m/z	Relative Intensity
53.58133	0.7
55.37958	0.6
58.06607	100.0
61.45992	0.8
70.06600	0.9
71.21281	0.9
72.08161	1.3
74.06088	1.2
81.03394	1.2
84.08136	1.3
86.09716	6.4
88.04006	1.2
98.09702	1.7
99.04446	4.2
103.35546	0.9
125.04662	1.2
125.41296	0.8
127.03890	1.0
132.10213	1.2
137.06027	0.9
138.05582	1.1
143.05734	1.8
144.10170	1.4
161.06036	0.9
164.10693	1.8
179.96243	1.0
189.05376	1.2
191.67079	0.9
194.11774	1.4
210.11270	4.9
212.12799	3.5
213.07544	1.6
230.13846	3.4
231.14305	1.3
258.13385	1.5
275.09180	4.0
287.16776	1.0
298.10709	1.7
350.44302	0.9
356.18848	1.6
374.18359	12.5
392.17001	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04153	0.6
54.57584	0.6
58.06609	16.4
60.26757	0.6
67.41458	0.7
82.49985	0.8
85.02904	1.1
95.92606	0.7
113.34543	0.8
118.10610	0.8
137.05989	1.3
147.35091	1.0
153.05351	0.8
167.07082	1.6
193.06528	1.0
195.08087	1.1
211.07570	1.7
212.04701	3.3
212.08299	1.9
213.07452	1.0
223.07515	14.7
224.08302	4.3
226.06221	1.8
227.07008	6.8
229.08650	3.4
235.07643	5.9
237.05411	1.3
239.07040	12.5
240.04195	1.6
240.07736	6.5
241.08563	3.2
251.06999	1.7
252.04135	1.0
253.08339	0.9
254.05812	1.3
255.06505	10.2
255.10251	1.5
256.03528	0.9
256.07343	3.9
267.06516	34.6
268.07321	1.0
269.08081	24.4
271.06036	12.1
271.09653	17.8
272.06760	1.1
279.06512	13.0
281.08093	1.1
283.09604	12.0
283.60483	0.8
285.07642	5.5
286.08295	1.2
293.08142	5.9
297.07626	4.3
299.09177	8.6
311.09091	12.1
314.07715	1.6
315.08557	5.6
329.10202	19.4
347.11200	4.2
392.17020	100.0
408.45010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66040	4.9
64.45030	5.7
86.09731	10.0
87.29633	5.8
95.94315	6.1
130.99960	8.3
140.98476	10.7
155.00027	6.1
157.01587	13.3
169.00165	6.4
169.01581	6.6
171.03111	6.8
173.01048	7.3
174.98990	20.9
183.64951	5.3
185.01154	9.9
189.00539	45.0
195.03107	8.3
199.02660	24.6
201.00482	5.8
223.59846	6.6
351.14664	71.4
369.15686	100.0
392.17038	7.2
392.31683	11.0
392.36514	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66040	4.9
64.45030	5.7
86.09731	10.0
87.29633	5.8
95.94315	6.1
130.99960	8.3
140.98476	10.7
155.00027	6.1
157.01587	13.3
169.00165	6.4
169.01581	6.6
171.03111	6.8
173.01048	7.3
174.98990	20.9
183.64951	5.3
185.01154	9.9
189.00539	45.0
195.03107	8.3
199.02660	24.6
201.00482	5.8
223.59846	6.6
351.14664	71.4
369.15686	100.0
392.17038	7.2
392.31683	11.0
392.36514	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31263	1.1
56.96582	1.7
70.68953	1.2
74.37704	1.1
76.29134	1.3
81.07053	2.0
87.05578	6.4
88.04002	2.9
93.07048	2.4
95.08639	1.4
105.07069	1.5
107.08627	1.7
114.96042	1.3
119.08632	2.1
133.06100	7.6
133.10133	1.5
149.02357	1.6
161.13213	1.6
162.13536	1.3
174.46609	1.4
201.65526	1.3
205.99026	1.3
209.23047	1.3
252.18620	1.5
260.20859	1.8
307.15833	6.1
322.55557	1.4
325.16916	12.3
333.13672	12.8
333.17181	4.0
343.17752	3.0
351.14737	100.0
351.18387	8.1
369.15775	96.0
369.20404	2.1
375.23529	8.8
377.16080	1.6
387.16904	16.3
392.07663	2.2
392.18445	17.4
392.26126	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1856
Annotation	Ancistrocongolensine
Peak:m/z	Relative Intensity
60.23438	0.6
66.23457	0.7
73.26126	0.9
90.06134	0.8
93.07053	1.0
95.82610	0.8
96.42241	0.8
98.01145	0.8
106.92242	0.8
115.60754	0.8
135.04430	1.5
153.05461	8.0
192.84573	0.9
195.06552	1.8
213.07591	2.0
229.73251	0.9
236.64505	0.9
306.11395	1.1
312.40561	0.8
316.09589	1.9
317.10480	5.4
320.09125	6.8
334.10742	28.7
335.11447	7.6
344.12811	4.1
346.14374	2.0
348.12268	1.5
348.16312	1.2
360.15967	36.5
362.13910	15.7
376.15579	1.6
377.15765	2.7
392.18579	100.0
392.23804	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19659	0.6
63.66569	0.5
69.61124	0.5
71.81348	0.5
73.84804	0.5
153.05453	3.5
213.07513	0.9
334.10706	8.5
347.15256	0.9
348.12198	3.2
348.15997	6.6
349.13120	5.8
376.15439	23.7
377.16211	6.0
392.18576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1851
Annotation	Ancistrocongolensine
Peak:m/z	Relative Intensity
53.61117	0.5
57.84906	0.6
63.55993	0.6
85.02905	1.3
118.18749	0.6
135.04384	2.6
149.02283	0.6
153.05464	8.4
195.06561	1.3
213.07614	3.1
256.29016	0.7
281.14240	1.4
306.10992	5.2
316.09787	4.1
317.10492	18.9
317.14020	1.1
320.09167	15.9
330.11209	5.6
333.17328	0.8
334.10678	9.2
335.07736	1.3
335.11530	22.7
346.14349	1.2
348.12277	17.6
348.16193	1.2
351.18469	3.3
359.15131	1.4
360.16019	14.8
362.13831	15.0
377.16357	2.9
392.18597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1854
Annotation	Ancistrocongolensine
Peak:m/z	Relative Intensity
60.19659	0.6
63.66569	0.5
69.61124	0.5
71.81348	0.5
73.84804	0.5
153.05453	3.5
213.07513	0.9
334.10706	8.5
347.15256	0.9
348.12198	3.2
348.15997	6.6
349.13120	5.8
376.15439	23.7
377.16211	6.0
392.18576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1853
Annotation	Ancistrocongolensine
Peak:m/z	Relative Intensity
61.05444	0.8
69.04527	0.8
129.31973	1.0
137.06003	0.9
202.05054	0.9
211.40875	0.9
217.25409	0.9
235.09563	1.0
240.46312	0.9
262.78882	0.9
263.13293	3.3
281.14218	14.8
286.27203	0.9
306.11115	5.9
316.09586	3.8
317.10471	17.8
320.09198	18.1
330.11478	6.2
333.17432	1.5
334.10611	9.4
335.11517	25.3
348.12244	15.6
348.16077	1.3
351.18393	17.3
360.15952	15.7
362.13907	10.9
376.15570	1.2
377.16180	4.6
392.18558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1853
Annotation	Hexylglutathione
Peak:m/z	Relative Intensity
55.95981	0.4
78.47520	0.5
87.07555	0.5
95.30526	0.5
153.05519	2.4
178.33496	0.6
226.49254	0.6
292.09714	0.5
320.09048	6.1
333.17130	1.3
334.10739	2.0
335.11496	6.3
349.16934	0.6
351.18472	1.0
369.19669	0.9
377.16211	30.9
392.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1855
Annotation	Ancistrocongolensine
Peak:m/z	Relative Intensity
54.38820	0.4
58.81276	0.4
68.57688	0.4
74.39450	0.4
75.97141	0.4
76.23083	0.4
85.02919	0.6
128.06761	0.5
129.61810	0.5
151.21414	0.5
153.05515	2.1
235.09628	0.9
239.02003	0.5
259.09741	0.9
262.22476	0.5
304.09103	0.5
306.11197	4.8
316.09674	4.9
317.10464	17.6
317.13940	0.8
318.11279	0.7
320.05450	0.9
320.09146	15.4
330.11282	7.1
334.10727	10.4
335.11493	22.3
346.14438	0.7
348.12259	17.0
348.16174	1.1
351.20630	0.7
359.15292	0.6
360.15872	14.5
362.13867	11.6
376.15497	1.1
377.16190	3.3
392.18558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31408	1.7
69.03407	2.1
71.04979	1.8
79.97845	1.6
81.03420	9.3
83.04971	2.7
85.02888	3.3
86.09708	28.6
88.03978	13.3
90.83770	1.9
97.02888	11.7
99.04448	25.6
109.02869	3.8
110.06038	2.7
111.04464	2.6
112.03966	2.5
120.04465	19.3
125.04728	48.0
127.03915	7.9
128.10687	6.9
132.10194	7.0
138.05473	13.8
140.10703	3.8
143.05753	8.2
148.03928	2.3
148.11058	1.8
150.09140	3.5
166.04980	8.4
166.12257	2.1
176.09262	1.6
176.10698	7.5
178.12250	11.3
182.11816	1.8
184.05997	9.0
194.11763	38.2
210.11282	2.1
211.12308	1.7
212.12801	23.4
222.11163	12.9
223.93990	1.9
230.13898	32.8
240.12209	14.8
240.25974	2.1
258.13339	10.8
268.69635	1.8
276.14371	18.5
328.17526	7.6
346.18732	2.7
356.17014	100.0
374.18124	39.0
392.19049	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2064
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
55.01874	2.9
67.05495	14.2
79.05491	1.7
81.07057	10.0
83.04996	11.0
83.08614	2.1
91.05480	3.0
93.07027	2.9
95.04969	1.6
95.08607	1.6
97.06536	5.4
99.14649	1.2
105.07043	1.7
107.08593	6.0
109.10168	8.3
111.04440	58.0
111.08104	15.1
118.25505	1.4
119.08587	1.9
120.08103	100.0
121.10143	8.1
126.20496	1.4
131.08574	3.1
135.11694	13.8
145.10135	9.0
147.11714	2.6
149.09607	6.1
153.12749	20.8
163.11179	34.8
166.08623	28.1
173.09631	9.1
181.12239	46.4
191.10655	33.8
209.11725	13.5
227.12790	51.1
245.71907	1.3
263.50385	1.4
321.06210	1.4
328.18869	2.5
346.20087	30.9
348.12292	2.6
351.20535	1.6
362.10217	1.6
374.19595	16.1
376.11862	2.2
377.12469	2.5
392.14859	16.2
392.20538	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31736	0.9
54.40518	0.9
55.05512	2.4
67.05507	5.9
69.03436	1.3
69.07071	2.4
72.08153	2.5
72.17645	1.2
74.19225	1.1
79.05486	4.9
79.98116	1.0
81.07034	7.8
83.05003	1.2
83.08618	2.3
83.98247	1.0
86.06060	20.5
91.05462	6.5
93.07027	8.7
95.08593	4.8
105.07016	8.2
107.08578	5.7
109.06511	2.5
109.10154	5.3
112.07595	7.3
112.11202	1.1
117.07051	2.1
119.08559	9.5
120.08050	1.0
121.06516	1.8
121.10147	6.0
123.08054	1.5
124.07614	4.2
129.06972	1.7
131.08572	5.9
133.06436	1.3
133.10129	10.3
135.08041	2.3
135.11684	4.4
137.90399	1.1
138.09079	1.4
143.08575	2.6
143.57303	1.1
145.06517	1.6
145.10114	9.0
147.08026	6.9
147.11707	2.1
149.09587	4.6
150.09113	2.1
155.08638	1.2
157.10144	1.5
159.08035	1.4
159.11679	5.0
161.09598	6.0
163.11211	6.0
164.10739	4.8
165.13870	1.0
169.10120	1.9
171.11636	1.4
173.09605	19.6
175.11134	2.6
177.36031	1.2
178.12254	2.0
183.11633	1.6
190.12260	1.6
192.10182	6.6
206.11769	5.8
210.67657	1.3
215.17993	2.2
218.11700	1.6
225.16348	1.5
232.13364	1.4
243.14732	1.7
243.17426	8.2
253.13097	1.2
253.15837	2.3
261.18481	13.7
271.16864	13.7
272.29657	1.2
274.61865	1.1
275.20016	2.2
289.17984	8.6
318.20956	1.3
328.22791	2.2
338.21146	1.9
346.23630	2.2
347.64603	1.1
348.08469	2.0
351.20007	4.8
356.22202	10.4
357.17365	4.4
369.21146	1.3
374.18872	1.7
374.23242	35.5
392.15100	9.4
392.24286	100.0
403.14221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2427
Annotation	Pentagydine
Peak:m/z	Relative Intensity
55.05519	1.9
59.45154	0.7
63.10002	0.6
67.05506	5.3
69.03433	1.1
69.07069	3.5
79.05487	1.5
81.07072	6.3
81.07499	0.8
83.04979	0.9
83.08617	2.0
86.06068	21.4
88.97648	0.8
91.05492	2.0
93.07047	6.0
95.08605	3.7
97.06562	0.8
105.07037	6.2
107.08585	4.2
109.06521	1.6
109.10161	1.3
112.07633	6.5
119.08562	10.2
121.06507	5.0
121.10110	4.0
123.08089	0.9
124.07560	2.0
129.07033	0.8
131.08565	4.5
133.10141	9.5
143.08553	1.9
145.06477	1.2
145.10121	6.2
147.08069	5.9
147.11700	3.9
149.09569	1.1
150.09094	1.4
155.08539	1.2
157.10130	3.6
159.08066	7.0
159.11711	3.8
161.09618	5.8
163.11194	3.5
164.10712	2.0
169.10130	1.1
169.66287	1.0
171.11678	1.3
173.09608	8.4
175.11198	1.9
177.09091	1.0
178.12302	1.8
183.11542	1.2
187.11226	1.1
190.12311	1.6
192.10210	1.8
197.13319	1.2
206.11752	2.1
213.48367	1.0
223.67996	1.0
225.16351	2.2
229.15672	0.9
232.13353	1.2
243.17323	6.6
244.13446	1.2
253.15822	3.3
261.18475	13.0
271.16901	11.9
288.19736	1.2
289.18042	11.9
306.33374	1.0
328.22781	2.0
338.21280	1.5
346.23785	1.5
348.08676	3.7
356.22180	9.1
362.10126	1.6
374.18884	1.9
374.23215	31.8
374.27499	1.6
392.15088	8.1
392.24301	100.0
397.58115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.279
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
53.03949	4.3
55.05513	20.6
57.02481	4.4
57.07077	10.9
67.05496	10.4
68.05022	18.9
69.07063	25.2
71.08621	4.5
79.05495	19.6
80.05003	21.0
81.03415	10.5
81.07056	20.5
82.06578	97.4
83.08605	8.1
91.05482	9.1
93.07038	6.8
94.02908	32.0
95.08597	33.2
97.10193	5.1
105.07023	17.2
106.06565	8.6
107.08623	5.7
108.04465	30.8
109.06509	6.9
109.10202	8.7
110.06036	74.6
112.03963	28.8
114.05032	4.6
118.06518	7.8
119.08547	9.7
120.04482	5.6
120.08070	9.8
121.10062	5.0
132.08044	10.8
133.10135	10.8
134.05971	5.9
135.11577	4.7
136.03931	47.6
148.03975	5.9
148.07611	5.6
154.05013	8.2
162.05531	10.8
162.67793	4.9
163.07701	5.4
178.05064	5.8
245.22520	7.2
263.23648	7.5
330.27939	37.6
348.29022	44.8
356.25815	31.6
374.26703	45.6
392.27957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63011	1.7
52.92093	1.6
54.55535	1.5
55.05511	1.7
57.07110	1.8
67.05513	4.5
69.07071	4.1
79.05477	3.6
81.07067	8.9
83.08601	2.3
86.06079	3.3
86.09708	100.0
87.04506	2.1
88.07639	3.4
91.05464	4.1
91.37984	1.9
93.07030	11.8
95.08605	8.5
105.07047	4.3
107.08585	7.8
109.10167	3.2
110.06075	2.8
119.04938	3.1
121.10118	4.4
123.11672	3.4
132.10197	63.0
135.11681	4.3
147.57512	2.3
149.02296	2.8
163.07568	3.7
256.26434	4.6
261.22180	4.7
346.30859	3.8
348.77167	2.3
392.27814	16.6
392.32169	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30911	1.9
58.06606	3.5
70.02941	1.8
71.70626	2.0
79.05508	2.8
80.05025	3.0
81.03423	7.1
85.04045	1.8
87.05594	8.3
91.05461	3.8
97.02894	4.9
99.04469	16.1
106.06586	9.5
107.04940	3.1
108.04508	7.3
109.02883	11.0
110.06040	7.7
120.04462	3.6
125.04739	7.8
126.05510	7.5
127.03949	4.6
133.06123	2.9
134.06024	67.4
136.03926	10.2
136.07611	15.1
138.05504	7.8
145.06093	1.9
149.07147	3.0
149.25963	2.0
150.05521	4.6
156.33212	2.0
162.05513	11.9
177.06566	54.0
177.07991	2.8
178.04982	28.5
179.08131	41.4
180.06499	3.3
182.04512	2.6
195.07561	2.5
196.05972	3.6
206.04543	8.7
212.98364	3.4
223.07118	17.5
224.05475	8.3
241.08044	3.0
259.09106	2.3
275.74194	2.0
282.34073	2.0
339.11819	10.6
357.12915	100.0
375.13879	15.2
393.15009	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01257	1.2
58.06588	1.2
58.52023	1.0
60.71637	1.0
69.03426	2.4
69.07068	1.9
72.04510	2.5
72.08132	1.2
76.02220	2.3
77.00629	13.7
81.03416	2.4
85.02885	2.7
86.06069	10.7
86.09710	20.2
90.05551	13.0
94.03261	12.5
96.04488	5.8
97.02888	2.2
98.06060	5.3
98.09715	1.6
99.04466	5.5
112.11248	34.5
113.02378	1.7
115.08693	9.2
118.03229	5.0
136.04234	2.4
138.98239	1.1
147.05869	24.4
148.04263	11.3
164.10703	23.8
165.06924	100.0
168.10172	2.3
175.05391	1.8
184.09691	2.6
194.11768	1.3
196.09666	5.2
196.13274	2.4
210.11211	1.8
212.12856	8.4
221.29628	1.3
230.09035	1.9
230.13866	19.0
231.13979	1.4
231.16902	1.7
232.14369	1.6
263.10605	17.5
263.17508	2.4
277.12170	21.6
309.18088	32.3
339.19122	2.7
357.20160	18.8
375.21722	9.1
393.21060	17.8
416.40195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28650	1.3
55.05517	7.5
58.06612	6.2
61.26355	1.3
70.06598	2.8
72.07753	3.6
72.08160	100.0
72.87057	1.5
83.06108	25.7
84.04516	15.6
84.08153	2.1
86.09699	5.9
90.49491	1.3
93.99110	1.3
101.07150	13.4
117.10264	16.5
120.08110	69.9
127.08538	1.9
129.06624	6.4
131.04901	2.3
138.09114	13.5
142.86954	1.4
149.06058	1.5
155.11801	15.0
166.08624	50.3
182.12895	48.0
183.11295	56.8
194.08168	6.1
200.13969	19.5
210.12376	10.9
211.10825	8.0
228.13434	46.8
231.11369	2.5
270.08478	3.6
276.13452	8.9
277.11896	1.9
294.14651	3.1
307.08487	2.7
319.08316	5.1
320.08902	2.5
334.10803	14.0
348.08035	2.6
368.78918	1.6
375.20270	30.5
376.18677	6.0
393.10526	4.5
393.14435	27.2
393.21970	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	10.5
59.06939	1.6
69.03429	8.4
70.06585	2.2
71.04983	1.5
72.08165	17.4
80.50623	1.4
81.03433	11.7
84.04553	1.5
84.08143	3.1
85.02924	8.1
86.09717	46.1
92.04435	1.6
96.04508	7.8
97.02915	8.5
98.09708	2.7
99.04471	19.0
108.04510	2.0
110.06016	1.4
110.09695	1.8
112.03985	2.2
113.02374	3.2
117.06995	1.8
127.03918	5.6
128.10707	6.3
135.08070	9.8
138.05510	6.5
144.83984	1.6
145.83807	1.5
150.09134	31.9
152.10860	2.1
164.10716	50.5
165.06969	2.8
168.10176	9.5
169.13202	1.6
170.04442	2.0
172.09653	6.5
180.10170	8.2
182.11694	1.8
194.11777	9.9
196.09798	13.2
196.11571	1.3
196.13316	15.7
198.11285	11.3
210.11266	3.8
212.12796	16.9
216.12300	16.0
230.13896	35.7
231.17052	11.8
241.15468	2.1
263.17523	16.2
309.18100	100.0
339.19089	11.1
357.20236	63.3
375.21347	38.1
393.12527	2.8
393.16864	6.9
393.22107	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53931	1.4
54.90463	1.3
55.05515	6.7
58.71885	1.3
61.97181	1.3
69.03415	7.1
70.06583	1.8
72.08158	65.7
75.02976	1.5
76.39661	1.4
81.03420	3.6
82.06580	2.5
83.04989	1.9
84.08152	14.1
85.02910	10.4
86.09707	8.7
87.03231	1.8
96.04498	6.0
97.02849	2.7
99.04435	11.3
109.02877	2.1
110.06000	1.7
112.03995	1.7
114.09179	7.1
126.09112	1.5
127.03906	5.8
129.05452	3.1
129.10233	6.6
132.10194	8.2
150.09134	88.5
151.03880	2.1
152.10672	2.2
154.08627	8.8
159.08839	6.2
164.10727	13.4
167.07036	2.4
170.04413	2.2
180.10159	18.3
182.11752	18.0
194.11778	2.6
198.11292	24.1
210.11241	19.7
212.12825	3.3
216.12315	55.8
231.14436	2.2
231.17015	11.3
240.12436	4.8
241.15437	2.7
243.16986	2.0
258.13449	6.2
263.17590	11.4
277.09653	5.5
309.18069	100.0
320.11383	1.9
334.15198	2.1
339.19171	13.6
357.20374	54.6
375.21481	37.4
381.73312	1.9
393.07574	2.4
393.17453	2.9
393.22250	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32047	1.4
53.03951	2.3
53.22680	1.4
55.05525	2.0
58.06593	2.5
63.63583	1.6
69.03420	9.1
71.04993	3.1
72.08153	23.4
81.03426	24.8
84.08138	3.5
85.02905	10.5
86.09707	54.5
87.04489	2.1
87.10043	4.3
87.16502	1.5
89.06028	10.4
96.04503	7.3
97.02893	8.4
98.06047	2.7
98.09687	7.7
99.04460	65.7
100.04823	2.1
108.04473	1.8
113.02279	1.8
115.03973	1.9
117.05465	3.3
118.08669	1.9
122.06022	3.0
126.05489	1.8
126.09161	2.9
127.03938	10.7
128.10721	7.3
129.60692	2.1
133.78474	1.7
135.08051	2.5
138.05489	7.7
145.04941	3.0
150.09152	29.8
159.08951	2.0
161.06847	3.0
164.10695	54.4
168.10213	7.3
172.09714	4.4
180.10202	7.1
182.11678	2.6
185.16519	2.0
194.11748	12.4
195.12128	1.9
196.09676	12.2
196.13289	15.0
198.11287	10.4
208.44035	1.7
210.11221	8.6
212.12790	23.3
213.13019	6.0
216.12337	9.4
230.13837	36.9
231.14116	9.2
231.17055	9.5
259.13770	3.5
263.17526	22.2
309.18060	100.0
327.55188	2.0
329.17920	2.6
339.19141	9.4
357.20224	61.7
375.18341	29.6
375.21747	13.6
393.22012	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2246
Annotation	Arg Phe Ala
Peak:m/z	Relative Intensity
57.84561	2.2
58.53982	2.1
67.05512	3.2
69.07108	2.7
71.08609	2.2
79.05474	1.7
81.07063	5.1
87.05582	13.4
88.04007	4.6
93.07037	4.6
95.08611	10.4
96.33183	1.9
98.98499	2.7
105.06992	2.5
107.08609	3.2
107.09399	1.9
108.20266	2.8
109.10162	2.5
114.37772	2.4
127.03950	2.2
133.06139	12.9
147.27657	2.1
155.01028	4.3
220.57205	2.2
287.09662	2.5
376.24829	4.6
393.22610	100.0
393.27176	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
62.58926	0.9
67.05504	4.9
68.89446	1.0
69.03451	1.1
69.07056	5.7
79.05493	4.8
81.07059	13.8
83.04971	1.6
87.47351	1.1
91.05505	2.2
93.07024	4.1
95.08595	7.8
97.06506	1.1
99.04466	7.7
105.07037	1.8
107.08611	4.4
109.06513	5.9
109.10168	4.2
111.04438	12.9
119.08553	2.0
121.10151	4.6
123.11749	1.2
125.06001	2.1
131.08633	1.6
133.10161	5.2
135.08049	1.7
135.11710	5.9
137.05980	100.0
137.13319	1.5
147.08023	1.5
147.11690	5.4
149.09612	1.8
151.07573	2.2
157.10130	1.5
161.09621	6.0
163.11165	1.5
165.09132	1.9
171.11620	1.8
175.11195	6.2
177.09142	1.3
179.10654	2.3
203.18062	4.8
213.16328	1.3
224.61447	1.1
229.07486	1.1
231.08902	1.3
231.17435	5.8
248.08873	1.5
249.18542	2.4
277.18002	73.8
291.38937	1.1
295.19153	10.3
352.18661	4.2
370.19601	4.3
393.25601	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60008	0.7
54.05914	0.8
55.05513	3.9
56.73751	0.7
56.92420	0.7
57.06827	1.4
57.07084	28.7
67.05504	10.9
69.07076	5.4
71.08633	24.0
79.05475	1.0
81.07064	14.1
83.08624	8.2
85.10176	13.0
89.33301	0.8
93.07026	1.4
95.08607	23.6
97.10165	5.2
98.98463	52.2
99.04457	1.1
99.08083	1.5
109.10133	11.3
116.48969	1.0
121.10113	1.0
123.11716	4.7
135.11636	1.0
137.13196	1.6
138.96593	0.8
145.10071	1.1
151.14862	1.3
155.01039	100.0
158.96957	0.9
174.11234	1.0
190.67757	0.9
193.11575	0.8
197.31520	1.0
199.81219	0.9
223.22057	1.1
239.23685	15.8
260.20602	1.1
320.86835	0.9
349.03488	1.0
393.26382	35.4
393.31335	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
57.03435	1.7
57.07084	30.1
60.02342	1.0
65.41309	0.8
67.00429	0.9
67.05513	9.0
67.50414	0.9
69.07063	5.9
70.82394	0.9
71.08633	20.7
79.05552	1.0
81.07061	12.1
83.08633	8.2
85.10181	11.5
85.63417	0.9
92.21589	1.0
95.08603	17.9
96.48055	0.9
97.10204	2.4
98.98469	43.5
109.10159	9.7
111.11773	1.0
123.00168	1.0
123.11692	1.5
155.01039	100.0
239.23688	16.0
261.29758	1.0
352.14975	3.9
393.23816	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
57.03447	2.1
57.07080	35.4
67.05503	7.6
69.07063	5.7
71.08633	25.6
75.90754	0.9
76.50483	1.0
81.07063	12.3
83.08627	8.6
84.70103	0.8
85.10186	13.2
95.08603	21.2
97.10139	2.1
98.98460	43.8
105.46777	1.0
109.10152	9.1
111.11677	1.1
116.66492	1.1
123.11717	1.7
137.13274	1.6
149.81950	0.9
155.01031	100.0
221.22598	1.1
239.23653	17.8
359.27307	1.2
393.23892	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
57.07085	17.6
67.05521	4.9
69.07088	1.7
71.08637	14.9
81.07059	7.7
83.08634	5.5
85.10190	10.8
88.90128	0.9
95.08614	12.2
97.10182	1.2
98.98476	26.6
98.99115	1.5
107.93409	0.9
109.10175	5.0
122.71897	0.8
123.11751	2.0
155.01045	59.4
205.58754	0.9
226.37975	0.9
239.23732	8.2
331.48248	1.0
393.26190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15111	1.1
50.87799	1.3
55.94678	1.2
57.07078	6.8
67.05485	3.4
69.07063	1.4
71.08643	3.6
81.07028	1.9
83.08601	1.6
85.01956	1.5
85.10170	1.6
93.98582	1.5
95.08607	3.8
98.98483	11.1
109.10170	1.4
117.94183	1.9
155.01015	18.1
313.48340	1.7
315.16122	3.2
333.17291	3.7
393.26099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48734	0.8
57.07071	3.6
68.67493	0.8
71.08652	0.8
81.07084	0.8
85.10162	0.9
91.05416	0.9
91.28651	0.7
92.72938	0.8
95.08618	1.9
97.76165	0.8
98.98463	4.1
116.27477	0.9
131.42467	0.9
155.01051	9.9
238.67625	1.0
239.23686	1.3
252.34442	0.8
274.09036	1.0
283.86264	0.8
315.16217	1.3
333.17355	6.8
334.13840	1.6
351.18561	1.1
393.26111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
57.07082	19.1
65.41242	1.2
66.75229	1.1
67.05510	3.5
67.74743	1.2
69.07078	2.7
71.08625	13.8
71.08954	1.1
76.19244	1.2
78.97485	1.4
81.07073	8.4
82.62639	1.3
83.08637	2.4
85.10189	8.9
93.07006	1.7
95.05086	1.3
95.08585	12.1
97.10198	1.5
98.98456	23.6
100.11286	1.8
105.07034	1.8
109.10194	6.3
111.11829	2.1
155.01038	50.1
167.35136	1.5
193.12202	2.4
209.60097	1.4
239.23790	7.7
315.16586	2.4
333.17401	3.3
334.13882	3.4
351.18213	2.4
393.26190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
57.07082	19.1
65.41242	1.2
66.75229	1.1
67.05510	3.5
67.74743	1.2
69.07078	2.7
71.08625	13.8
71.08954	1.1
76.19244	1.2
78.97485	1.4
81.07073	8.4
82.62639	1.3
83.08637	2.4
85.10189	8.9
93.07006	1.7
95.05086	1.3
95.08585	12.1
97.10198	1.5
98.98456	23.6
100.11286	1.8
105.07034	1.8
109.10194	6.3
111.11829	2.1
155.01038	50.1
167.35136	1.5
193.12202	2.4
209.60097	1.4
239.23790	7.7
315.16586	2.4
333.17401	3.3
334.13882	3.4
351.18213	2.4
393.26190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10479	0.4
57.07084	0.8
57.78371	0.4
71.08648	0.5
75.69344	0.4
98.98460	0.7
109.74625	0.4
112.41676	0.4
155.01028	1.8
393.26102	100.0
408.41959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73545	1.5
53.03955	3.9
55.05512	9.4
57.07089	3.4
64.96727	1.6
67.01941	1.9
67.05508	17.5
68.26176	1.6
69.07066	12.9
71.08630	38.5
79.05494	17.7
81.03420	9.7
81.07061	25.3
83.04982	4.8
83.08628	9.2
91.05482	13.6
92.21306	7.9
93.07042	33.3
94.06583	4.9
95.04929	2.6
95.08602	19.8
97.06495	2.6
97.10160	2.7
98.98490	2.7
99.04453	53.5
99.08099	22.0
105.07034	19.3
107.04192	2.4
107.04932	3.7
107.08585	16.2
109.10152	9.6
110.70666	2.0
117.06992	2.9
119.08548	11.1
120.32320	2.2
121.10152	14.3
123.11691	3.2
129.06987	2.8
131.08542	3.0
133.10133	11.4
135.11729	14.9
140.83957	2.2
143.08557	4.6
145.10121	4.3
147.11748	8.0
149.13293	4.0
151.11185	29.7
155.01016	4.1
161.13235	22.9
163.11186	8.6
171.11635	2.1
179.14281	19.9
185.13261	2.4
189.12840	2.7
199.14795	2.4
235.16763	2.8
241.19487	10.4
259.20511	7.9
277.21594	100.0
295.22641	13.7
393.26474	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24455	1.7
53.03946	3.3
54.93362	1.8
55.01873	2.5
55.05515	9.4
57.07080	4.1
67.05518	26.5
69.07060	21.7
79.05506	19.9
81.03436	24.8
81.07060	27.4
83.04990	4.4
83.08609	4.8
91.05482	8.9
92.21439	2.4
93.07048	23.3
95.04984	19.8
95.08628	14.7
97.06551	3.3
97.10158	2.4
99.04456	10.1
104.07626	2.0
105.07045	11.8
107.08595	17.6
109.06516	5.3
109.10147	15.9
119.08556	4.2
121.10135	10.8
133.10130	10.2
133.65433	2.0
135.11710	3.9
136.35252	2.2
138.88510	2.3
147.11626	12.0
149.13257	2.9
151.11183	26.1
155.01012	3.9
161.13232	9.5
165.12767	8.8
171.11633	3.7
175.37717	2.4
277.21628	100.0
287.14587	3.2
371.19284	2.6
393.26355	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
53.15846	1.1
55.05518	6.3
57.07078	5.9
57.42504	1.3
59.05023	1.2
59.73944	1.2
67.05508	23.0
69.07065	21.5
71.08620	3.1
79.05499	17.0
81.03420	15.9
81.07069	25.7
83.04974	8.2
83.08629	6.5
91.05473	8.9
93.07041	25.3
95.04964	18.5
95.08600	14.7
97.06557	1.8
97.10198	5.0
98.98447	3.1
99.04452	16.5
105.07029	9.9
107.08590	20.0
109.06509	2.5
109.10161	10.4
111.04470	1.4
117.06991	5.1
119.08582	7.1
121.10142	8.7
123.08028	1.9
123.11651	2.7
125.09650	9.2
130.15756	1.2
131.08577	2.1
133.10129	9.4
135.11693	5.9
137.06000	10.9
143.08574	1.7
147.11670	7.5
149.13315	2.7
151.11159	13.2
153.09149	1.7
155.01071	14.0
157.10153	1.7
159.11674	1.9
161.13269	9.8
163.14894	2.0
165.12724	2.3
171.11647	2.8
174.95857	1.6
185.13274	1.9
189.11179	2.5
223.69633	1.4
233.15459	1.9
241.19423	5.8
249.22023	1.7
249.80190	1.6
259.20639	2.1
277.18475	4.8
277.21603	100.0
295.19199	2.4
295.22443	2.5
348.26672	1.6
393.26691	6.5
393.31461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14096	1.5
55.05508	2.8
57.07071	3.1
67.05500	21.9
69.07056	7.2
70.02953	8.7
71.08630	2.3
74.02452	13.5
79.05494	10.3
81.07057	34.5
85.10159	1.7
87.05589	69.2
88.03986	56.5
90.05524	2.0
91.05481	3.2
93.07056	14.9
95.08590	27.8
98.98494	3.9
105.06992	7.4
107.08585	9.6
109.10163	11.3
116.03439	12.6
119.08586	2.6
121.10146	7.6
123.11670	4.2
131.08504	3.3
133.06082	100.0
133.10144	4.3
135.11670	8.2
145.10136	4.4
147.11656	2.3
149.13214	2.7
155.01027	3.5
161.13272	3.9
163.14801	2.2
172.49257	2.0
174.97711	2.2
205.24316	1.9
252.48146	1.9
257.01251	1.8
261.22144	9.2
268.13806	1.8
298.98602	2.1
313.21820	2.6
317.87405	2.5
330.24371	2.1
348.25137	3.7
376.24887	20.6
393.27069	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.4
57.07072	10.3
59.73594	1.7
62.82676	1.8
67.05508	26.8
69.07061	3.2
70.02943	9.4
74.02443	4.4
79.05498	11.7
81.07061	30.3
83.08624	3.9
83.99793	1.8
87.05099	3.0
87.05598	57.2
88.03992	45.9
91.05496	3.9
93.07035	25.7
95.08614	26.6
96.44749	2.0
97.10156	3.3
105.07024	9.5
107.08582	16.3
109.10147	12.4
114.30153	2.0
116.03416	9.0
119.08571	4.1
119.30791	1.9
121.10142	18.5
123.24076	2.3
131.08582	9.1
133.06094	100.0
133.10124	4.1
135.08032	2.5
135.11626	2.7
145.10088	4.6
149.13290	4.2
155.00974	7.6
159.11700	4.2
161.13231	4.5
163.11125	2.3
173.13240	4.8
175.14777	2.4
177.16309	3.1
187.14703	2.4
208.63701	2.1
222.76657	2.1
235.01350	2.3
236.56537	2.4
243.21112	9.9
261.22217	17.4
293.18658	3.2
302.18558	3.9
320.08859	2.6
352.18744	4.3
376.25620	71.6
393.18231	27.9
393.27271	14.1
393.31592	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.5
55.53928	2.2
56.53510	2.0
57.07074	5.3
67.05513	25.8
69.07066	4.1
69.71700	2.3
70.02961	5.4
71.08630	2.6
74.02450	12.3
79.05495	13.0
81.07065	31.6
83.08640	4.6
85.11665	2.5
87.05594	68.9
88.04001	48.2
93.07032	20.7
95.08613	32.6
97.10203	3.2
98.98466	9.3
100.42832	2.3
105.07026	6.1
107.08593	17.4
109.10162	12.4
109.25753	2.3
116.03441	12.3
119.08561	2.7
121.10142	12.8
121.59995	2.6
122.73343	2.7
123.11734	3.8
131.08548	4.3
133.06087	100.0
133.10168	4.1
135.11679	4.5
145.10144	5.5
147.11716	2.8
149.13298	6.1
154.07790	2.7
155.01056	14.5
163.14766	3.8
167.93362	2.8
173.13240	4.3
187.14845	3.7
201.54640	2.4
243.20975	5.2
261.22086	12.2
308.42932	3.1
348.25372	5.6
376.24814	52.1
381.64328	2.7
393.17874	29.5
393.22781	3.9
393.26996	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.05513	33.6
57.07070	9.0
67.05509	37.8
69.07069	29.8
71.08638	24.1
79.05500	29.3
81.07064	80.3
83.04984	7.4
83.08608	12.1
91.05490	37.0
93.07052	80.6
95.04973	53.9
95.08610	78.4
97.06526	10.5
98.98457	22.5
103.81995	5.6
105.07036	100.0
107.08607	69.2
109.06518	24.7
109.10171	50.2
117.07022	7.4
119.08588	80.9
119.87235	5.5
121.06493	21.6
121.10141	31.4
123.11707	13.6
129.07045	6.3
131.08583	46.8
133.10136	72.2
135.11696	23.7
137.09608	7.2
142.07779	13.7
143.08583	41.1
145.10126	83.4
147.08072	8.7
147.11696	29.1
149.09677	6.1
149.13223	8.4
151.11206	7.8
155.01042	53.9
157.10117	56.2
159.11691	51.2
161.09615	13.4
161.13290	9.9
169.10141	21.9
171.11736	25.6
173.13248	28.9
175.11145	8.3
175.14757	11.6
183.11699	23.8
185.13362	6.7
187.14899	9.4
209.13286	21.9
211.14682	7.2
277.21561	40.0
375.25415	6.3
393.27362	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3148
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
52.73539	2.8
57.07090	5.5
69.07067	48.5
73.46017	3.4
74.60812	3.0
75.78177	3.0
82.45969	3.5
83.08653	4.3
101.10976	3.8
102.98421	2.8
103.52056	3.2
108.55700	3.3
109.10158	5.7
114.89141	4.2
130.47676	3.7
137.31689	3.3
157.10066	3.9
253.15831	8.2
268.18250	70.0
268.20923	6.6
331.78494	3.5
393.31454	100.0
416.27521	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	7.8
57.03428	1.3
57.07080	14.1
58.18705	0.9
60.29801	0.9
63.83974	1.0
67.05501	11.5
69.07074	9.9
71.08636	9.0
71.11994	1.2
71.75237	0.9
79.05494	5.2
81.07065	27.3
83.08620	10.9
85.10174	5.4
91.05489	2.3
93.07031	9.1
94.06579	1.4
95.06087	1.6
95.08611	29.1
97.10170	6.7
98.98476	15.5
105.07040	11.4
107.08601	16.0
109.10154	29.9
117.07014	1.4
119.08591	10.0
121.10140	16.4
123.11708	12.1
128.91458	1.0
131.08566	2.0
133.10143	9.7
135.11691	12.7
137.13277	7.0
139.14737	1.0
145.10170	7.7
147.11682	28.0
149.13246	14.0
151.14825	1.4
155.01044	32.8
157.10139	2.6
159.11699	14.9
159.29724	1.2
161.13263	23.6
163.14835	6.6
173.13266	8.1
175.14757	9.1
177.16423	7.1
185.13284	5.0
187.13226	1.0
187.14844	7.5
187.16364	1.1
189.16386	5.5
199.14813	4.8
201.16397	6.4
203.18065	5.0
206.93810	1.1
213.16356	5.8
215.17995	4.7
227.17989	2.3
231.21115	1.7
239.23781	6.5
241.19763	1.3
245.22604	1.7
255.21071	4.9
257.22736	2.0
259.24313	1.7
269.22705	1.7
271.23859	1.1
283.24298	4.6
293.21121	1.7
295.24136	1.6
309.25885	1.5
311.27347	1.7
323.27402	1.3
336.44150	1.2
393.26816	3.0
393.35205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0916
Annotation	Ethidium bromide
Peak:m/z	Relative Intensity
53.91783	0.3
56.17679	0.3
70.43082	0.3
80.30586	0.3
88.76635	0.4
90.30989	0.3
178.54860	0.4
215.62158	0.4
242.52821	0.4
307.08353	14.4
310.07108	9.0
366.09702	23.3
394.09180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1291
Annotation	Dihydromacarpine
Peak:m/z	Relative Intensity
110.13579	0.3
231.19669	0.4
275.43793	0.4
318.07825	0.8
320.09225	10.4
333.09970	1.7
334.10703	12.4
335.11426	6.1
336.08661	1.8
348.12418	0.7
350.10211	27.3
361.85751	0.6
362.10175	4.7
364.08115	11.1
378.04837	0.8
378.09717	25.2
379.10516	25.0
394.12842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90494	0.5
55.87410	0.5
64.27522	0.6
66.38495	0.5
68.74374	0.5
69.57644	0.5
165.13040	0.6
168.85701	0.6
189.72464	0.6
262.21234	0.7
291.08890	53.5
306.07602	31.7
306.11197	0.9
318.07779	0.8
319.08325	0.9
320.09210	21.2
322.10501	0.8
336.08594	5.4
336.12222	0.8
350.10266	8.7
362.13754	3.8
364.08093	25.5
364.11926	3.7
378.09549	1.4
379.10345	7.6
379.14307	1.1
387.72403	0.6
394.12741	100.0
394.16437	7.8
394.31937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31997	0.7
64.02409	0.6
71.18611	0.6
97.38313	0.6
104.36369	0.7
111.36247	0.7
155.80400	0.8
200.31540	0.8
263.09534	1.2
291.08896	65.0
306.07571	32.8
307.08319	7.0
310.07166	3.6
318.07516	2.5
320.09164	24.6
336.08533	5.9
350.10251	7.9
356.58090	0.7
362.10342	1.1
364.08130	31.5
364.11920	1.6
366.09735	12.8
378.09622	2.8
379.10437	7.4
394.08878	36.7
394.12854	100.0
416.05328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35668	0.5
61.55198	0.7
66.16779	0.7
66.85366	0.6
70.47269	0.6
77.89814	0.6
92.88416	0.9
99.04461	1.3
102.58026	0.6
106.66527	0.7
117.00461	0.7
291.08881	57.1
293.83395	0.7
306.07599	23.0
320.09122	16.1
336.08691	4.0
350.10220	6.4
362.10114	1.2
364.08075	22.2
364.11884	2.4
378.09488	1.3
379.10364	8.8
379.14511	1.2
394.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1285
Annotation	Dihydromacarpine
Peak:m/z	Relative Intensity
53.08821	0.4
54.24131	0.4
62.50592	0.5
63.35176	0.5
65.01215	0.4
69.38118	0.5
73.13220	0.5
74.18910	0.4
74.49863	0.4
74.89718	0.6
105.32568	0.6
108.33836	0.5
195.72469	0.6
230.06712	0.5
263.09354	0.9
291.08887	50.1
292.09518	0.8
306.07571	27.3
318.07632	1.3
319.08395	1.0
320.09161	28.9
336.08670	4.0
348.08514	2.9
350.10126	6.1
362.09976	0.9
362.14023	1.2
364.08072	22.8
364.11929	2.8
378.09558	2.0
379.10300	7.2
379.14185	0.6
394.12744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86330	0.4
76.18363	0.4
79.05457	0.5
81.07049	0.7
91.54071	0.5
93.07031	0.5
105.07002	0.8
107.39720	0.5
121.06506	2.1
124.95132	0.5
133.10129	0.6
172.03874	6.4
190.04982	100.0
218.04504	8.0
245.21796	0.7
260.52121	0.5
314.40039	0.5
318.07474	0.6
318.11084	0.7
331.08432	0.8
332.09030	3.6
338.10004	0.8
346.07104	4.0
346.10739	1.0
360.08627	6.8
361.09509	2.0
376.11804	22.4
394.12827	39.7
394.23267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50804	0.6
61.92256	0.6
70.91019	0.6
79.71253	0.7
89.24567	0.7
109.45149	0.6
227.55255	0.7
263.09729	0.7
291.08890	48.5
306.07587	32.3
310.31586	0.8
319.08127	1.0
320.09128	21.4
322.10632	1.0
336.08569	5.1
348.08340	1.0
350.10370	8.0
362.10098	1.8
362.13864	4.5
364.08057	24.0
364.11868	4.0
366.09497	0.8
378.09515	0.9
379.10242	8.4
394.12674	100.0
394.16391	8.2
396.44733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03843	0.6
58.69896	0.6
62.10700	0.7
67.73000	0.8
78.44567	0.7
78.54198	0.8
84.05695	0.6
90.38713	0.8
92.21555	1.4
97.54998	0.6
99.34969	0.8
111.31715	0.7
131.19867	0.8
263.09381	1.6
272.57925	0.9
291.08847	58.5
306.07587	29.5
307.08237	8.4
310.07040	5.0
318.07559	1.8
319.08359	0.9
320.09213	21.9
336.08606	4.2
350.10242	7.4
362.13809	3.4
364.08029	27.3
364.11734	2.1
366.09656	14.4
378.09549	1.4
379.10315	8.4
394.08856	40.7
394.12839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1283
Annotation	Dihydromacarpine
Peak:m/z	Relative Intensity
50.93141	0.6
53.83189	0.6
56.93095	0.7
57.43521	0.8
62.59052	0.8
72.68005	0.7
76.30857	0.7
83.05084	0.8
85.58994	0.7
92.98217	0.8
106.57029	0.7
137.81543	0.8
148.04196	0.9
153.23508	0.8
163.52234	0.9
256.20972	0.8
261.16077	0.8
291.08875	60.9
291.77609	0.8
306.07587	26.0
320.09128	20.2
334.10669	0.8
336.08606	4.9
350.10181	10.6
362.13794	5.3
364.08035	26.4
364.11893	4.2
366.09772	0.9
378.09805	1.7
379.10312	7.1
379.14465	1.4
394.12701	100.0
394.16431	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07043	0.2
54.06076	0.3
64.49261	0.3
80.24001	0.3
92.90823	0.3
117.39477	0.3
134.05981	1.8
146.18903	0.3
147.04445	0.4
161.90053	0.3
171.10446	0.4
276.07050	0.3
287.74933	0.3
304.09674	0.4
318.07495	0.4
320.09036	1.4
333.09814	1.3
334.10721	15.0
336.08734	2.3
336.12344	0.6
348.12384	0.4
349.09082	0.4
350.10217	28.0
362.10236	6.0
364.08063	11.0
365.08871	0.7
378.09705	25.4
379.10480	24.1
387.44684	0.4
394.12781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
80.12196	0.4
120.49487	0.4
121.06537	0.5
135.08061	0.4
141.78412	0.4
142.66106	0.4
177.09035	0.8
209.11748	0.8
249.19667	0.4
308.12857	2.2
318.11353	2.1
319.09698	0.8
320.09427	1.1
320.12796	1.8
322.10745	2.3
322.14203	0.8
332.12885	2.6
333.13538	6.1
334.14490	2.3
336.12296	21.6
337.12912	0.9
338.10300	0.4
339.11041	0.5
346.10809	2.4
348.12082	1.9
349.09409	0.6
349.13303	0.6
350.13889	5.5
351.14581	3.0
360.12369	1.6
361.13129	2.6
362.13901	9.2
364.11786	38.6
366.13239	0.5
378.13345	10.8
379.14148	10.5
394.16495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1649
Annotation	Waltherione B
Peak:m/z	Relative Intensity
53.33501	0.5
56.96576	0.5
70.34072	0.6
121.06591	0.6
177.70735	0.7
252.77583	0.7
289.08112	0.7
291.10309	0.7
308.12869	1.1
318.11179	1.1
319.09512	1.3
320.12738	0.9
322.10654	1.3
332.12878	2.8
333.13519	5.3
334.14474	2.8
336.12323	20.6
337.13248	1.0
346.10776	1.4
348.12338	0.8
350.10471	7.7
350.13525	7.0
351.14725	2.5
360.12311	0.9
362.13892	9.2
364.11774	39.6
378.13321	11.2
379.14175	11.1
394.16519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57238	0.5
59.32693	0.5
69.03418	0.6
71.33100	0.6
76.30372	0.6
80.24239	0.6
86.06042	0.6
120.10174	0.6
155.73972	0.7
284.65826	0.8
291.08972	3.9
294.11194	0.7
305.10394	2.8
306.07706	1.6
307.08496	1.1
318.11389	1.0
320.09277	3.3
322.10828	5.2
332.12784	1.2
333.13855	1.5
334.10818	0.9
334.14371	1.5
335.07956	0.8
336.12204	5.4
346.10892	3.3
349.09348	1.2
350.10217	24.6
350.13840	1.9
351.14822	1.1
360.12650	0.7
361.13034	1.0
362.13864	28.3
362.18137	1.3
364.07333	1.5
364.11789	40.8
366.09424	1.1
378.13535	2.6
379.14182	13.5
394.08685	2.6
394.16583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37279	0.4
80.46857	0.5
129.18619	0.6
181.82043	0.6
291.10056	0.9
307.12155	0.5
308.12863	2.2
318.11331	2.4
319.09470	1.0
320.09152	0.8
320.12772	0.7
322.10501	2.0
322.14163	1.0
332.12793	2.5
333.13617	4.9
334.10791	0.7
334.14355	3.3
336.12292	22.1
337.13089	1.0
346.10742	2.4
348.12390	2.3
349.13254	0.5
350.13843	8.0
351.14655	3.2
360.12292	3.0
361.13071	2.4
362.14005	6.5
364.11774	41.4
366.13364	0.9
378.13315	11.6
379.14081	12.2
379.18497	0.8
394.16492	100.0
413.34818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1647
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
51.40174	0.3
51.68399	0.3
57.71672	0.3
62.15726	0.3
67.01747	0.3
109.02940	0.3
151.07561	0.5
169.56549	0.3
177.09097	0.8
219.40218	0.3
291.10266	0.5
293.19855	0.4
304.13391	0.5
307.12021	0.4
308.12585	2.4
318.11261	1.9
319.09616	1.7
320.09097	1.3
320.12674	0.8
321.10016	0.7
322.10843	1.7
322.14417	0.7
332.12894	3.2
333.13696	5.6
334.14395	2.6
336.12280	25.3
337.13110	1.8
338.66373	0.4
346.10916	2.9
348.08563	0.6
348.12311	1.5
349.09375	0.5
349.13232	0.5
350.13806	6.8
351.14633	3.4
360.12503	2.4
361.13065	2.6
362.13824	6.8
364.11777	43.5
365.12488	0.7
366.13379	1.5
378.13364	11.7
379.14105	13.8
394.16507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21098	0.4
62.63978	0.6
79.90941	0.5
85.06631	0.6
105.32510	0.5
109.17012	0.5
118.44965	0.6
138.62914	0.6
278.08066	0.8
280.35904	0.6
306.07550	3.7
307.08398	2.2
309.09964	1.3
320.09198	0.9
321.09961	1.1
322.10782	4.3
332.12909	0.6
334.10706	12.4
336.08652	4.9
336.12128	0.8
341.03586	0.6
346.10693	1.0
348.12363	7.4
350.13937	9.7
351.10947	6.2
352.11725	2.1
361.13202	0.7
362.13828	2.3
363.14536	1.9
364.11813	7.1
376.15488	0.8
378.13333	14.1
379.14191	18.5
394.16489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36493	0.7
67.46497	0.7
92.21583	0.9
92.52212	0.9
105.41851	0.9
105.42532	0.8
108.62254	0.8
112.22024	0.8
126.01093	0.8
162.86829	0.8
232.58635	0.8
316.06598	1.0
318.11319	1.5
320.09186	1.9
320.12720	1.4
323.11530	4.7
332.12811	3.3
333.13599	6.1
334.10834	1.1
334.14597	1.8
336.12317	23.7
346.10617	1.7
348.08487	1.1
350.13724	7.0
351.14651	3.6
360.12347	1.3
361.13013	1.2
362.13922	6.1
364.11761	46.1
378.13348	13.3
379.14160	9.9
394.16522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81167	0.4
69.47308	0.4
107.08587	0.6
121.06528	0.8
124.97434	0.6
130.80762	0.6
141.97452	0.5
149.06059	0.6
175.03885	2.2
175.07593	0.9
176.19687	0.5
219.53824	0.5
291.09018	0.6
305.10629	3.7
306.07700	0.9
307.08325	2.1
308.09250	0.8
318.11133	0.8
320.09201	3.0
322.10715	6.1
332.09219	0.8
332.12741	1.8
333.13638	1.2
334.14432	2.0
335.07794	2.2
336.12180	4.8
346.10678	4.1
347.11298	0.7
348.12283	2.5
349.09470	0.7
350.10217	24.1
350.13901	2.0
351.14761	0.7
360.12134	0.8
362.13858	29.4
364.11804	34.8
366.09647	3.9
378.13388	2.1
379.14105	14.8
394.08838	11.9
394.16556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47329	0.6
52.58114	0.7
68.45257	0.6
92.21476	0.9
163.51633	0.7
189.26073	0.8
218.64304	0.7
307.56485	0.8
308.12708	2.8
318.11197	1.3
319.09610	1.0
321.09924	0.8
322.14407	0.9
332.12857	2.6
333.13507	4.8
334.14383	2.6
336.12335	17.5
346.10965	1.3
348.12503	1.1
350.10107	1.2
350.13745	7.0
351.14487	2.6
360.12341	1.3
361.13181	1.6
362.13959	8.9
364.11755	40.3
378.13269	10.8
379.14209	12.1
394.16492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.165
Annotation	Waltherione B
Peak:m/z	Relative Intensity
53.21098	0.4
62.63978	0.6
79.90941	0.5
85.06631	0.6
105.32510	0.5
109.17012	0.5
118.44965	0.6
138.62914	0.6
278.08066	0.8
280.35904	0.6
306.07550	3.7
307.08398	2.2
309.09964	1.3
320.09198	0.9
321.09961	1.1
322.10782	4.3
332.12909	0.6
334.10706	12.4
336.08652	4.9
336.12128	0.8
341.03586	0.6
346.10693	1.0
348.12363	7.4
350.13937	9.7
351.10947	6.2
352.11725	2.1
361.13202	0.7
362.13828	2.3
363.14536	1.9
364.11813	7.1
376.15488	0.8
378.13333	14.1
379.14191	18.5
394.16489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57238	0.5
59.32693	0.5
69.03418	0.6
71.33100	0.6
76.30372	0.6
80.24239	0.6
86.06042	0.6
120.10174	0.6
155.73972	0.7
284.65826	0.8
291.08972	3.9
294.11194	0.7
305.10394	2.8
306.07706	1.6
307.08496	1.1
318.11389	1.0
320.09277	3.3
322.10828	5.2
332.12784	1.2
333.13855	1.5
334.10818	0.9
334.14371	1.5
335.07956	0.8
336.12204	5.4
346.10892	3.3
349.09348	1.2
350.10217	24.6
350.13840	1.9
351.14822	1.1
360.12650	0.7
361.13034	1.0
362.13864	28.3
362.18137	1.3
364.07333	1.5
364.11789	40.8
366.09424	1.1
378.13535	2.6
379.14182	13.5
394.08685	2.6
394.16583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40353	0.3
53.03957	3.1
53.15141	0.3
58.95937	0.3
63.69170	0.3
69.03418	0.4
81.03416	4.9
85.02467	0.4
85.02895	2.6
99.04456	100.0
111.31449	0.4
117.05489	32.9
121.06488	0.4
127.03887	0.5
139.47046	0.4
162.05580	0.4
163.94229	0.3
164.07053	0.6
215.09209	4.9
232.09746	0.6
232.13399	0.6
303.57382	0.4
312.08069	0.4
332.18539	0.5
376.21332	0.6
379.10651	0.5
394.13217	0.8
394.18201	1.2
394.22488	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
57.03456	3.4
69.03429	11.5
70.06604	5.3
71.04978	12.4
72.04483	3.9
73.02924	3.0
74.06068	3.3
74.29595	2.3
76.57278	2.2
78.80138	2.1
80.05052	2.4
81.03400	24.9
82.06632	2.8
85.02910	20.8
87.04477	6.1
96.04497	4.1
97.02895	18.5
98.06051	17.1
98.13409	2.6
99.04454	97.2
109.02909	12.6
110.06027	6.2
116.07106	30.1
117.05508	3.1
119.04941	3.7
121.06441	2.7
122.06033	6.1
125.04728	4.2
126.05486	18.6
127.03903	10.4
128.07080	11.8
134.08157	28.1
137.05983	6.1
138.05499	22.2
139.37169	2.4
140.07024	3.0
145.04955	3.2
147.04407	10.3
156.06519	5.6
158.08136	3.3
163.04518	5.3
164.07045	3.8
168.65489	3.0
170.08040	3.5
174.07590	10.5
178.08640	14.0
179.06978	4.9
181.05609	4.1
182.08206	3.1
194.08127	16.2
200.09186	5.1
205.05559	11.2
206.08142	24.1
217.05637	10.1
224.09172	30.6
232.09712	4.2
242.10182	14.6
257.40363	2.6
260.11282	9.8
277.36847	2.6
307.08652	22.0
340.13873	5.2
358.15002	33.8
376.16037	55.5
385.57712	2.8
394.07361	3.3
394.17337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
60.66446	0.4
61.02927	0.8
67.12354	0.4
69.03433	1.9
73.02913	0.4
81.03422	1.7
81.76829	0.4
85.02900	11.8
86.09692	2.1
87.04444	0.5
91.03938	0.5
91.05487	3.2
97.02880	4.6
99.04458	0.5
103.84579	0.5
107.58920	0.5
109.02905	0.7
116.07082	0.7
119.04939	19.8
121.06508	3.1
123.04394	1.0
125.04688	0.5
127.03922	3.4
129.56952	0.5
133.06111	0.4
134.06013	1.1
135.06346	2.1
137.05978	100.0
139.09595	0.5
145.04930	1.0
147.04407	59.4
149.05875	0.4
151.03876	1.1
151.07565	3.5
158.55476	0.5
163.06157	0.4
163.07449	0.8
170.44113	0.4
178.04939	0.8
178.06877	0.5
179.07013	53.1
180.08560	0.8
180.10176	1.0
181.08586	0.8
197.04436	1.0
197.08098	26.9
215.05518	0.8
217.08174	0.5
227.08182	0.5
261.12753	0.9
358.13147	2.6
394.16910	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2584
Annotation	Paniculamine
Peak:m/z	Relative Intensity
51.98828	1.2
55.05520	2.1
57.07078	6.1
58.43198	1.1
65.76368	1.2
67.05518	11.4
69.07063	1.8
71.08638	2.3
74.02441	24.9
77.21037	1.3
79.05481	10.7
81.07059	16.2
85.10188	2.0
86.37766	1.6
88.03995	48.8
91.05476	2.6
93.07043	11.7
95.08598	16.2
97.10212	1.4
98.98484	8.0
105.07037	1.8
107.08618	13.9
109.10153	3.5
116.03440	28.9
119.08637	1.9
121.10133	8.8
123.11665	2.7
131.00018	2.8
133.10132	2.9
134.04491	100.0
135.11693	9.5
140.98477	5.4
142.99928	1.6
145.10164	3.1
147.11710	1.9
149.13258	5.9
154.99945	2.7
155.01076	9.9
157.01591	1.7
159.11678	2.8
161.13129	1.6
163.14818	2.5
165.02153	1.7
167.00034	2.2
169.01614	5.5
173.13239	3.5
174.99025	10.5
177.02118	3.1
177.16400	3.0
179.03563	2.3
181.01605	1.5
183.03163	3.4
185.01207	1.9
189.00552	14.0
193.05241	1.6
201.00610	2.0
203.02193	2.3
211.02716	2.8
215.02084	3.3
243.21066	5.8
261.22104	16.3
335.15137	31.7
342.63467	1.4
353.16147	29.7
394.25864	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	5.3
58.09284	3.5
62.63016	3.4
67.05492	4.8
69.07064	17.9
71.08639	8.2
71.86729	3.8
81.07063	9.8
83.08622	22.2
86.06071	29.3
86.92007	3.5
95.04955	8.3
95.08613	7.6
97.10134	6.6
98.06055	27.5
102.36664	3.9
107.08605	4.4
109.10152	10.0
112.07555	4.6
123.11718	20.0
137.13283	17.9
140.10719	21.9
152.10635	14.8
154.12262	20.0
166.12265	5.2
180.52676	4.1
251.93288	4.8
263.64365	4.1
308.29559	6.8
348.32632	38.9
376.32095	52.9
390.22467	4.0
394.33389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61626	0.9
57.07077	1.4
67.05499	6.2
68.42810	1.1
69.07071	2.1
73.26837	1.0
79.05469	1.8
81.07070	8.0
86.09708	100.0
88.33417	1.0
93.07047	1.4
95.08601	8.7
97.10176	1.3
109.10172	1.9
110.54116	1.0
123.11708	1.9
123.30533	1.0
132.10202	60.6
135.11699	1.1
148.90555	0.9
149.07269	1.3
263.23889	1.5
294.94318	1.2
300.21747	1.3
348.32690	7.9
376.32346	1.4
394.33270	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69313	2.6
77.69805	2.7
86.09669	2.9
99.04440	5.2
105.31062	3.0
177.05342	3.1
186.13440	3.1
225.04369	2.9
240.88489	3.2
251.02325	3.0
257.45892	3.5
275.90704	3.4
293.09271	12.1
346.10779	3.3
348.05807	3.3
351.13284	5.4
395.07230	100.0
395.12323	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69313	2.6
77.69805	2.7
86.09669	2.9
99.04440	5.2
105.31062	3.0
177.05342	3.1
186.13440	3.1
225.04369	2.9
240.88489	3.2
251.02325	3.0
257.45892	3.5
275.90704	3.4
293.09271	12.1
346.10779	3.3
348.05807	3.3
351.13284	5.4
395.07230	100.0
395.12323	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
95.97038	1.5
104.07119	2.2
116.07079	2.4
143.01918	2.0
158.48769	1.9
162.51720	1.8
166.21550	1.7
169.03452	1.7
169.51392	1.8
182.59470	1.7
217.29089	1.7
277.23651	1.9
289.23483	1.7
332.47635	2.0
395.09479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61777	0.6
50.78294	0.6
50.97294	0.7
61.94803	0.7
63.51241	0.7
79.10600	0.7
81.07069	1.0
93.07043	0.9
119.08611	1.0
121.06519	1.8
131.08551	1.0
136.10150	0.9
324.09232	5.2
337.06445	3.9
350.07349	1.1
351.07993	34.6
363.07959	7.8
364.05142	1.1
365.05850	12.4
379.07455	45.9
380.08255	36.3
395.10605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01206	1.0
68.00200	1.0
69.85300	0.9
70.06622	1.4
71.72520	1.0
72.08134	1.1
78.21480	1.0
89.07182	1.1
102.19212	1.1
173.47227	1.1
185.04301	1.5
232.07047	14.4
233.07938	2.6
334.14368	1.5
395.13162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.9
57.03446	1.8
58.43974	1.4
71.04988	3.2
81.03430	14.8
85.02901	2.3
99.04459	100.0
103.03926	2.6
103.05477	3.0
107.04941	1.7
111.04517	1.9
117.06995	2.6
119.04936	1.5
121.06490	8.1
131.04893	2.7
141.05450	3.0
145.06487	7.6
147.04417	20.1
149.05954	8.3
153.05540	1.4
159.06538	2.9
161.06015	3.2
163.03903	5.8
164.04712	5.4
169.04971	9.5
172.05252	1.5
173.05925	9.1
177.05469	24.7
179.07062	1.8
180.04137	2.6
183.06529	15.0
189.05452	1.8
190.06213	6.2
191.07111	2.0
192.04152	3.2
193.04997	2.5
194.05704	1.7
195.06548	2.8
200.04701	3.0
201.05482	8.6
203.03331	3.3
205.04991	11.0
207.06543	34.5
209.04419	1.9
209.08090	9.4
218.05753	6.1
219.06485	6.7
222.05212	2.5
229.04944	2.0
233.08017	22.8
233.09805	1.5
235.05991	20.0
237.07559	24.7
246.05132	5.7
247.06000	7.2
249.07555	2.5
261.07599	49.5
279.08624	66.7
297.09683	21.4
299.11911	1.8
313.99496	1.7
395.07465	9.9
395.12750	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.1
54.39312	0.5
55.90508	0.4
57.03423	0.6
69.03430	2.8
70.06586	0.9
71.04995	3.0
73.02904	5.0
74.06077	0.6
81.03431	8.3
84.08109	0.6
85.02908	7.2
97.02895	4.7
99.04459	100.0
109.02887	1.3
110.07133	0.7
116.08039	0.6
117.04717	1.0
117.05496	24.0
126.02811	0.6
127.03907	2.5
145.04973	2.5
225.07567	0.7
261.07278	0.8
261.09711	4.2
291.08701	1.1
334.10751	9.9
350.10153	1.3
395.10648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03429	1.1
61.15533	1.2
69.03416	2.9
69.07080	1.8
81.03428	2.2
83.04967	1.9
85.02899	6.1
86.09709	32.3
87.03204	7.9
88.03983	13.9
89.92118	1.2
96.08123	1.8
97.02898	5.0
98.09711	10.7
99.04433	5.5
102.50630	1.3
109.02872	7.5
111.04426	2.6
118.04987	1.8
120.04469	2.6
125.04752	13.0
126.05527	1.9
127.03896	13.8
128.10730	12.3
132.10196	2.7
138.05490	5.4
140.10707	2.0
157.04951	2.4
168.43961	1.4
176.10696	2.7
178.05009	1.4
184.06029	2.5
194.11740	16.2
199.06104	2.5
212.12866	12.3
220.95256	1.4
240.12288	2.5
260.45740	1.4
262.08011	9.2
276.72485	1.5
284.15076	10.4
313.13861	6.6
331.15002	57.2
349.16016	8.8
355.12967	1.4
359.14291	13.2
377.15524	100.0
395.16599	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03429	1.1
61.15533	1.2
69.03416	2.9
69.07080	1.8
81.03428	2.2
83.04967	1.9
85.02899	6.1
86.09709	32.3
87.03204	7.9
88.03983	13.9
89.92118	1.2
96.08123	1.8
97.02898	5.0
98.09711	10.7
99.04433	5.5
102.50630	1.3
109.02872	7.5
111.04426	2.6
118.04987	1.8
120.04469	2.6
125.04752	13.0
126.05527	1.9
127.03896	13.8
128.10730	12.3
132.10196	2.7
138.05490	5.4
140.10707	2.0
157.04951	2.4
168.43961	1.4
176.10696	2.7
178.05009	1.4
184.06029	2.5
194.11740	16.2
199.06104	2.5
212.12866	12.3
220.95256	1.4
240.12288	2.5
260.45740	1.4
262.08011	9.2
276.72485	1.5
284.15076	10.4
313.13861	6.6
331.15002	57.2
349.16016	8.8
355.12967	1.4
359.14291	13.2
377.15524	100.0
395.16599	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97871	1.9
69.03434	3.2
69.07076	2.4
72.08162	8.2
74.06116	2.0
81.03442	21.3
83.05016	1.8
84.04494	3.3
85.02912	8.7
86.09712	79.0
91.05447	2.1
96.04510	4.6
96.88531	1.9
97.02896	8.2
98.09690	3.4
99.04486	3.6
108.04477	7.6
110.05964	2.1
111.04420	2.7
112.03952	3.2
117.07014	1.9
119.04950	2.4
120.06568	8.2
122.06004	2.1
127.03951	4.4
128.10709	10.3
130.05017	2.7
133.06053	2.7
135.08035	11.3
136.07594	16.3
137.05992	18.6
138.05484	8.7
138.06400	14.5
147.04445	12.9
148.04779	16.5
150.12805	1.9
152.10593	2.3
156.06531	3.5
160.92653	1.8
164.10698	72.4
166.04863	2.4
168.10210	8.4
170.11783	2.7
174.07611	12.5
174.46814	1.9
179.07063	6.9
180.07407	9.7
194.11746	16.0
196.13354	19.9
197.08051	2.7
198.07744	20.9
208.06021	2.9
210.11304	17.3
212.12830	30.7
216.08670	2.5
230.13878	66.7
233.14958	12.5
235.14392	2.5
246.09735	9.8
263.14047	2.3
265.15457	4.5
293.14923	17.4
297.14453	2.6
300.77176	2.1
303.91650	2.0
311.12704	4.4
311.15991	96.4
313.17667	2.4
323.16049	2.4
341.16995	11.5
359.18118	100.0
377.15036	2.4
377.19223	36.1
395.16180	3.3
395.20364	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11917	1.3
55.05516	2.3
56.88850	1.5
58.81421	1.5
62.95331	1.2
63.92611	1.2
67.05525	2.2
70.77438	1.3
73.87934	1.2
78.07208	1.3
79.05487	3.0
81.07058	5.9
83.08607	1.7
90.29456	1.4
93.07017	2.5
95.08604	6.8
100.11253	85.1
102.27042	1.4
105.07026	2.0
106.11476	1.7
107.08562	3.0
109.10133	2.7
110.37523	1.5
111.09184	1.5
112.74335	1.4
121.10206	1.4
133.10124	1.9
145.10112	1.7
156.66953	1.5
335.15176	2.4
335.18915	3.3
336.15442	15.6
354.16324	6.0
377.28268	2.5
395.27710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	13.5
55.05519	11.9
57.03439	2.1
57.07076	3.3
58.48493	1.1
67.05516	21.9
69.07073	41.0
71.04995	2.5
71.08629	2.4
79.05514	9.7
79.91804	1.5
81.03396	1.6
81.07069	30.0
83.04971	2.2
83.08620	22.2
85.10197	1.4
91.05483	1.9
93.07049	24.4
95.08610	24.5
97.06547	6.3
97.10191	5.5
99.04453	14.0
107.08598	17.9
109.10146	15.5
111.08086	2.0
113.09687	1.4
113.43723	1.4
119.08583	1.7
121.10155	18.0
123.11720	5.9
124.56110	1.4
125.09643	1.9
131.08565	7.0
133.10088	1.8
135.08049	2.2
135.11722	19.6
137.09607	2.3
137.13217	2.2
141.43250	1.2
145.10088	1.2
149.09651	1.7
149.13286	5.6
151.14748	1.7
152.25601	1.4
153.12750	29.1
159.11652	2.5
163.11215	2.4
163.14812	1.6
173.13170	1.6
181.15872	2.0
183.13828	2.2
229.78174	1.5
233.22618	6.8
243.21124	5.5
251.23715	2.2
261.22223	9.3
279.23184	100.0
297.24161	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	13.5
55.05519	11.9
57.03439	2.1
57.07076	3.3
58.48493	1.1
67.05516	21.9
69.07073	41.0
71.04995	2.5
71.08629	2.4
79.05514	9.7
79.91804	1.5
81.03396	1.6
81.07069	30.0
83.04971	2.2
83.08620	22.2
85.10197	1.4
91.05483	1.9
93.07049	24.4
95.08610	24.5
97.06547	6.3
97.10191	5.5
99.04453	14.0
107.08598	17.9
109.10146	15.5
111.08086	2.0
113.09687	1.4
113.43723	1.4
119.08583	1.7
121.10155	18.0
123.11720	5.9
124.56110	1.4
125.09643	1.9
131.08565	7.0
133.10088	1.8
135.08049	2.2
135.11722	19.6
137.09607	2.3
137.13217	2.2
141.43250	1.2
145.10088	1.2
149.09651	1.7
149.13286	5.6
151.14748	1.7
152.25601	1.4
153.12750	29.1
159.11652	2.5
163.11215	2.4
163.14812	1.6
173.13170	1.6
181.15872	2.0
183.13828	2.2
229.78174	1.5
233.22618	6.8
243.21124	5.5
251.23715	2.2
261.22223	9.3
279.23184	100.0
297.24161	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18533	1.4
54.55553	1.5
55.05518	3.7
55.65195	1.5
56.52459	1.6
57.07066	2.3
67.05515	12.7
69.07064	7.6
70.02940	8.9
74.02438	12.1
77.78037	1.5
78.09818	1.7
78.41589	1.6
81.07061	19.5
83.08596	2.0
87.05592	68.7
88.03444	3.4
88.03991	100.0
93.07047	3.9
95.08610	17.5
109.10153	8.6
110.07172	2.7
116.03445	9.0
121.10108	2.4
123.11694	2.6
133.06093	96.0
133.10144	3.5
147.11673	2.1
245.22618	2.6
350.26678	13.1
378.26282	16.4
395.28833	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07775	1.0
55.05518	1.3
64.75410	1.1
67.05501	7.3
67.69004	1.0
69.07063	6.6
79.05475	2.5
81.07065	13.4
83.08617	5.0
91.05471	5.9
93.07019	7.2
95.04964	1.9
95.08601	9.6
97.06488	1.2
98.42012	1.1
99.08065	1.7
105.07027	2.5
107.08583	7.1
109.06557	1.6
109.10164	5.5
111.63818	1.3
117.07031	5.4
117.18522	1.1
119.08560	2.1
121.10146	7.2
123.08099	2.6
131.08585	10.8
133.10152	2.9
135.11687	8.0
140.37285	1.4
143.08554	1.5
145.10124	9.5
147.08080	1.8
147.11667	1.9
149.09612	1.5
149.13245	2.7
157.10129	2.6
157.46948	1.3
159.11707	2.5
161.09628	5.9
161.13329	2.0
163.11133	2.6
171.11652	1.3
173.09515	1.2
173.13287	2.6
175.14818	4.6
187.14771	2.2
189.07831	7.6
249.05519	1.5
250.08678	1.4
251.06984	2.4
268.09732	1.8
269.22534	1.7
278.08023	1.9
279.06497	2.3
279.21213	1.5
280.09796	1.7
286.25055	4.5
287.23669	7.9
297.22168	10.1
305.24835	1.6
308.09201	5.5
314.24652	15.8
315.23166	55.8
325.21652	12.3
326.10199	61.3
332.25720	6.8
333.24155	15.1
336.08585	15.8
343.22733	17.0
354.09692	41.8
360.24869	1.5
361.23737	10.4
378.26361	87.2
395.29028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07775	1.0
55.05518	1.3
64.75410	1.1
67.05501	7.3
67.69004	1.0
69.07063	6.6
79.05475	2.5
81.07065	13.4
83.08617	5.0
91.05471	5.9
93.07019	7.2
95.04964	1.9
95.08601	9.6
97.06488	1.2
98.42012	1.1
99.08065	1.7
105.07027	2.5
107.08583	7.1
109.06557	1.6
109.10164	5.5
111.63818	1.3
117.07031	5.4
117.18522	1.1
119.08560	2.1
121.10146	7.2
123.08099	2.6
131.08585	10.8
133.10152	2.9
135.11687	8.0
140.37285	1.4
143.08554	1.5
145.10124	9.5
147.08080	1.8
147.11667	1.9
149.09612	1.5
149.13245	2.7
157.10129	2.6
157.46948	1.3
159.11707	2.5
161.09628	5.9
161.13329	2.0
163.11133	2.6
171.11652	1.3
173.09515	1.2
173.13287	2.6
175.14818	4.6
187.14771	2.2
189.07831	7.6
249.05519	1.5
250.08678	1.4
251.06984	2.4
268.09732	1.8
269.22534	1.7
278.08023	1.9
279.06497	2.3
279.21213	1.5
280.09796	1.7
286.25055	4.5
287.23669	7.9
297.22168	10.1
305.24835	1.6
308.09201	5.5
314.24652	15.8
315.23166	55.8
325.21652	12.3
326.10199	61.3
332.25720	6.8
333.24155	15.1
336.08585	15.8
343.22733	17.0
354.09692	41.8
360.24869	1.5
361.23737	10.4
378.26361	87.2
395.29028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81303	1.3
52.77357	1.2
55.05508	3.4
67.05504	20.0
69.07076	9.5
77.04202	1.4
79.05505	13.6
81.07066	37.0
83.08619	8.8
91.05475	8.5
93.07043	23.4
95.08612	35.9
97.10213	3.2
102.68661	1.4
105.07027	19.6
107.08592	25.1
109.06523	2.4
109.10191	14.8
109.10789	1.8
111.08047	2.3
117.07067	5.5
119.08568	17.9
121.10136	29.0
123.11752	3.7
127.81264	1.4
131.08562	14.3
133.10097	12.1
135.11684	19.9
143.08580	3.4
145.10126	14.1
147.11673	11.8
149.09576	2.5
149.13274	9.9
151.11098	2.7
157.10164	2.8
159.11691	9.6
161.13246	6.4
163.11180	2.6
163.14848	2.6
171.11678	5.8
173.13228	6.8
175.11220	1.6
175.14850	3.1
182.12517	1.7
185.13245	3.8
187.14816	2.9
189.12788	2.0
199.14943	2.7
204.17467	2.4
226.23349	1.5
231.17371	2.1
256.38751	1.7
263.20248	1.6
313.75049	1.5
315.26859	2.7
325.25348	13.5
333.27856	2.4
342.27945	15.4
343.26312	28.0
360.24716	1.9
360.28946	41.1
361.27444	13.7
377.31702	7.1
378.30103	29.4
395.20789	2.7
395.32700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
60.94682	2.0
67.05508	20.4
67.58674	2.4
69.07076	5.4
77.04707	2.4
78.38951	2.1
79.05486	13.3
81.07054	27.7
83.08604	5.3
91.05474	4.1
91.07727	2.7
93.07046	16.8
95.08614	36.0
97.10180	3.1
105.07019	18.3
107.08597	21.9
109.10156	15.5
119.08580	14.1
121.10159	20.1
125.34666	2.4
131.08580	14.7
133.10133	4.9
135.11693	11.3
143.08595	3.3
145.10104	14.1
147.11685	11.8
149.13280	5.1
157.10167	4.5
159.11671	4.4
171.11732	3.7
173.13261	4.9
185.13229	4.4
187.14746	4.0
248.20204	2.8
274.51715	2.7
325.25156	5.9
342.27774	22.6
343.26297	21.3
360.28922	30.9
361.27405	12.7
377.31366	4.0
378.30072	17.9
395.32675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78978	1.8
53.47243	1.8
55.05513	12.4
57.03439	14.9
57.07084	15.9
66.27897	1.8
67.05510	26.8
69.07064	23.1
71.05012	11.0
71.08625	15.9
72.37840	2.1
79.05504	12.1
81.07063	61.0
83.05013	2.2
83.08621	25.1
85.06548	8.7
85.10175	11.7
91.05491	2.7
93.07044	17.2
95.08607	70.4
97.10170	14.3
98.06073	8.8
100.11253	10.9
105.07021	10.8
107.08586	18.8
109.10153	32.5
111.08083	4.1
117.05499	3.1
118.91000	2.4
119.08573	3.6
121.10155	19.2
123.11685	11.3
131.08557	2.7
133.10094	4.6
135.11719	19.1
137.13281	9.5
143.54649	2.3
147.11691	4.3
155.14345	4.4
161.13194	2.3
175.14908	2.7
201.14815	5.1
213.18629	2.5
215.16470	4.1
226.16670	2.7
242.81827	2.2
340.80215	2.4
341.31711	3.1
359.33099	19.7
377.34106	100.0
378.33591	2.8
395.36206	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47190	2.5
55.05500	3.2
57.07076	12.8
60.59587	2.6
62.80676	2.7
65.52704	2.7
67.05508	7.7
69.07062	13.8
71.08634	13.1
72.68946	2.8
75.97224	2.9
76.79591	2.9
81.07053	35.3
83.08632	6.5
83.27601	3.4
85.10155	4.4
91.05482	4.1
92.01286	2.9
93.07034	5.3
95.08601	25.8
97.10159	6.8
105.07037	12.6
107.08592	7.5
109.10165	17.1
111.11745	3.3
119.08634	4.5
121.10123	3.6
123.11737	7.8
131.08592	6.9
133.10138	21.7
140.58575	3.1
145.10110	33.6
147.11688	14.2
149.13278	3.4
159.11702	25.8
173.13298	12.8
183.57109	3.6
185.13222	4.7
196.92792	3.0
201.16345	5.5
218.50848	3.2
241.19507	5.2
255.49045	3.5
395.27649	17.0
395.36661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	16.0
58.52008	7.9
67.05511	10.0
69.07065	21.0
70.45546	7.6
71.08633	17.0
78.31342	7.2
79.90890	7.6
81.07044	35.3
82.80314	7.3
86.02773	8.3
93.07049	16.5
95.08601	46.1
96.75769	10.5
105.07054	8.6
107.08614	19.3
109.10198	11.4
117.07014	10.5
119.08594	13.2
131.08611	10.9
133.10153	14.4
145.10129	44.7
147.11685	15.4
159.11653	19.1
161.13173	13.8
179.46648	8.5
242.99538	9.4
395.36584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.6
57.07086	6.5
59.83021	3.2
67.05511	6.3
69.07066	34.2
79.05482	3.9
81.07072	29.4
81.22681	3.5
81.80685	3.2
83.08627	15.4
85.10218	3.1
91.05478	4.3
93.07046	15.5
95.08614	22.0
97.10177	8.4
105.07049	13.5
107.08611	18.7
109.10149	29.5
119.08545	6.0
121.10148	8.2
123.11707	8.1
133.10144	13.4
135.11711	24.1
139.13698	4.0
145.10106	7.3
147.11670	37.5
149.13266	5.9
159.11679	21.7
161.13245	35.1
163.14876	4.3
173.13246	16.4
175.14825	5.0
187.14844	4.6
201.16344	6.9
213.16351	5.3
353.34052	3.5
395.25943	7.1
395.36768	100.0
395.41824	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99144	1.4
82.61646	1.4
125.05965	1.5
131.34158	1.5
144.77312	1.3
158.11771	2.6
251.09309	2.3
265.07474	5.4
280.09656	13.8
294.07571	3.5
306.07825	2.1
307.08325	8.3
308.09134	48.8
309.09964	11.8
310.07092	5.4
315.53922	1.6
322.07056	2.2
324.08603	7.4
325.09351	7.9
335.07852	8.4
336.08588	8.7
337.09259	1.9
338.06613	11.4
340.11798	12.3
353.08823	3.3
368.11484	2.9
378.09705	1.8
381.08380	1.9
396.10718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46537	0.6
57.99673	0.8
60.19830	0.6
75.75965	0.7
133.11394	0.7
134.81923	0.8
172.03978	3.4
190.04987	32.8
218.04485	3.6
235.06297	1.8
263.05768	3.1
264.06442	2.9
265.07339	1.1
289.59961	0.8
290.07950	1.5
292.06049	6.5
293.06729	3.1
303.05267	5.2
305.06665	1.1
308.05423	1.3
318.07593	8.6
319.04614	1.3
320.05582	12.6
321.06265	4.2
331.04633	1.8
346.07025	5.7
348.05014	4.5
349.05774	10.6
364.08127	100.0
396.10718	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37190	0.9
61.71339	1.0
77.55329	1.2
114.04499	1.2
123.44804	1.0
190.05020	5.6
200.04552	1.1
206.91864	1.1
264.06546	1.6
292.06033	7.4
294.40295	1.2
303.05402	1.9
316.56244	1.3
318.07574	5.8
320.05548	9.7
321.91833	1.1
346.06985	2.5
348.05157	1.7
349.05841	9.9
364.08136	100.0
396.10690	6.5
396.25122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01860	0.3
57.78259	0.3
61.40294	0.3
69.03408	0.8
71.05006	0.4
73.02908	1.5
81.03414	2.4
85.02900	3.9
86.09691	0.4
87.04451	0.4
91.05451	0.7
97.02880	2.7
99.04459	24.8
103.01834	0.4
109.02872	0.9
121.06526	0.4
122.06029	0.4
123.00751	0.4
127.03923	0.9
130.06474	0.5
132.08139	0.5
145.04929	0.6
147.04462	1.4
150.03035	0.5
153.09102	0.5
165.05476	0.4
176.07031	0.7
188.05374	0.8
188.07065	22.4
202.04932	0.8
204.06572	6.2
206.04500	3.8
206.08049	0.4
209.04437	21.2
232.07578	1.8
233.08414	0.4
234.07599	13.3
243.08659	0.7
261.07446	0.7
261.09711	2.0
262.08591	0.7
266.08157	0.6
275.05789	0.7
278.08194	2.1
279.08917	2.4
283.08511	0.5
288.06342	0.6
289.07114	0.4
290.08078	5.7
292.09506	2.6
293.06567	0.6
294.07651	3.2
298.10742	0.6
306.07587	2.7
306.48505	0.4
308.09161	9.7
318.07800	1.1
322.06973	2.0
325.09210	1.5
334.07047	1.5
336.08643	9.9
337.09500	2.6
352.11856	1.9
378.15399	1.4
396.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21581	1.6
141.62366	0.7
177.01871	1.3
183.76767	0.7
188.07057	25.5
206.08119	100.0
234.07594	5.2
263.78082	0.8
264.06555	0.9
292.06049	1.3
297.16678	0.8
303.05240	0.9
307.05173	0.8
320.05490	11.9
320.08951	1.1
321.06540	0.8
348.05103	1.7
349.05957	2.9
364.08139	72.4
381.08234	0.9
396.10788	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98323	0.3
72.76755	0.3
76.92614	0.3
99.23260	0.3
108.70274	0.3
116.38914	0.3
149.02258	0.3
177.01805	2.0
181.08549	0.5
188.07053	23.7
205.01294	0.5
206.04491	5.2
206.08115	100.0
234.04047	0.6
234.07603	6.2
264.06454	1.2
280.83810	0.3
292.06094	1.6
303.05399	0.5
320.05515	13.7
321.06305	0.7
332.05621	0.3
334.03342	0.4
335.04303	0.6
336.08652	0.4
348.04974	4.3
349.05856	3.6
353.40073	0.4
364.08121	75.0
378.09637	0.5
396.10773	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43737	0.6
61.86279	0.8
66.76378	0.7
68.61726	0.9
71.98651	0.8
77.59248	0.9
81.63247	0.7
87.88178	0.8
107.78107	0.9
115.22742	1.1
117.10715	0.8
179.29369	0.9
190.08594	1.8
202.08470	1.0
292.06049	16.2
302.07944	1.0
304.06070	5.4
307.04819	1.1
309.10022	1.2
318.07684	1.7
319.08334	2.1
320.05490	22.5
321.02786	1.6
321.06305	31.3
322.06995	10.1
324.12112	1.2
334.10718	5.0
335.07886	1.5
336.08658	95.1
337.09378	5.3
338.13715	2.1
340.12933	4.7
346.13208	1.0
352.07806	3.1
364.11792	2.0
366.05988	4.0
380.07538	2.0
381.08392	5.0
396.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25423	0.8
55.03154	0.9
72.08150	1.9
74.65452	1.1
78.62473	1.1
86.09705	5.4
93.67365	1.0
99.04449	11.0
108.34814	1.1
114.51765	1.0
120.08104	8.3
121.54414	1.2
125.23771	1.1
127.03914	1.2
136.07564	6.2
136.62860	1.3
151.98796	1.4
167.88510	1.2
182.00089	1.2
185.84262	1.1
206.08138	2.3
234.07625	5.0
239.09521	1.4
249.15993	1.2
279.07596	6.7
280.08545	2.1
281.09198	75.2
293.09155	27.3
307.10785	35.7
335.10187	27.3
351.09857	4.7
352.12909	63.6
378.11261	1.7
379.09201	21.7
396.11890	100.0
396.16168	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.144
Annotation	Dehydrosaulatine
Peak:m/z	Relative Intensity
51.01713	0.3
58.06568	0.6
59.96923	0.3
61.30776	0.3
107.04893	0.5
109.79864	0.3
179.37238	0.3
200.28239	0.3
267.27890	0.4
279.08878	3.5
291.08871	1.5
292.09637	2.0
294.11261	3.9
306.07727	0.5
307.08386	27.7
320.09161	25.3
320.87811	0.4
321.09903	6.5
322.10721	62.9
350.10205	0.7
396.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01713	0.3
58.06568	0.6
59.96923	0.3
61.30776	0.3
107.04893	0.5
109.79864	0.3
179.37238	0.3
200.28239	0.3
267.27890	0.4
279.08878	3.5
291.08871	1.5
292.09637	2.0
294.11261	3.9
306.07727	0.5
307.08386	27.7
320.09161	25.3
320.87811	0.4
321.09903	6.5
322.10721	62.9
350.10205	0.7
396.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60386	0.3
51.96071	0.3
57.24155	0.3
58.11743	0.4
59.22275	0.3
61.40058	0.3
64.33286	0.3
80.50909	0.3
84.08169	0.5
123.68777	0.3
151.44321	0.3
152.35197	0.3
157.04840	0.4
172.19974	0.4
181.16624	0.4
266.83618	0.4
279.09058	2.7
291.08939	0.8
292.09735	2.1
294.11154	2.6
296.12833	1.7
306.07806	0.4
307.08383	25.3
314.62216	0.4
315.11804	0.4
320.09183	19.9
321.09982	5.8
322.10724	59.7
334.10788	0.7
336.12286	0.6
350.10245	0.6
380.11255	0.7
381.12332	0.8
396.14435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.144
Annotation	Dehydrosaulatine
Peak:m/z	Relative Intensity
51.50573	0.7
58.75692	0.9
59.65165	0.7
63.74093	0.8
82.83396	1.0
87.25284	0.9
96.87239	1.1
104.07201	1.0
107.08549	1.0
133.96074	1.2
190.05101	4.1
192.06541	1.6
205.05138	1.8
209.61827	1.0
293.21893	1.2
302.08191	1.2
320.05615	3.9
320.09128	57.9
332.09506	1.2
349.06104	1.2
350.10217	76.5
350.70172	1.1
364.08234	16.5
366.09671	17.7
381.12042	36.2
396.14529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1441
Annotation	Dehydrosaulatine
Peak:m/z	Relative Intensity
52.89406	0.5
65.77232	0.6
86.09715	1.5
104.10759	4.2
183.89525	0.7
184.07343	4.3
190.05023	1.2
223.98170	0.6
256.53333	0.7
307.12003	1.0
308.09244	2.7
310.10892	3.6
320.09207	1.2
322.10764	1.2
323.11365	1.1
324.12277	41.7
335.11203	0.8
336.08768	1.6
336.12219	8.7
338.10181	19.2
339.11191	1.6
350.10156	2.5
352.11765	47.2
353.12570	17.2
364.08057	0.8
365.12164	0.7
366.09555	4.9
380.11237	5.6
381.12259	1.0
396.14432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61454	0.6
53.24594	0.8
66.76777	0.7
70.06587	1.4
80.47800	0.7
85.02923	1.0
93.41814	0.7
105.07031	0.8
121.06522	2.0
123.74522	0.8
135.11623	0.9
143.86897	0.8
177.05486	1.0
238.12566	0.8
279.09024	1.8
291.08942	1.2
292.09863	1.3
294.11340	1.5
307.08371	24.2
307.11612	1.3
308.09131	6.5
310.26837	0.8
316.22220	0.8
320.05753	1.0
320.09192	20.7
321.10065	5.3
322.10727	60.1
326.10373	1.1
336.08746	4.7
337.09180	1.2
350.10474	3.4
352.11914	6.9
380.11279	1.4
381.12149	1.4
396.14633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1441
Annotation	Dehydrosaulatine
Peak:m/z	Relative Intensity
52.61454	0.6
53.24594	0.8
66.76777	0.7
70.06587	1.4
80.47800	0.7
85.02923	1.0
93.41814	0.7
105.07031	0.8
121.06522	2.0
123.74522	0.8
135.11623	0.9
143.86897	0.8
177.05486	1.0
238.12566	0.8
279.09024	1.8
291.08942	1.2
292.09863	1.3
294.11340	1.5
307.08371	24.2
307.11612	1.3
308.09131	6.5
310.26837	0.8
316.22220	0.8
320.05753	1.0
320.09192	20.7
321.10065	5.3
322.10727	60.1
326.10373	1.1
336.08746	4.7
337.09180	1.2
350.10474	3.4
352.11914	6.9
380.11279	1.4
381.12149	1.4
396.14633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
56.99190	0.6
58.06609	0.6
69.03449	0.7
70.06605	0.7
71.05006	1.6
81.03424	3.9
85.02902	0.9
86.09691	1.0
97.02855	0.7
99.04470	12.5
101.70400	0.7
114.05548	0.9
121.06513	7.7
132.08096	0.8
133.79079	0.6
136.06218	1.3
136.07593	0.8
137.06010	5.7
138.92374	0.6
146.05994	1.0
149.05876	0.7
160.58063	0.7
161.05934	0.9
163.81528	0.8
164.07065	15.7
178.08554	1.1
189.74985	0.7
190.08626	8.2
192.06512	5.2
198.50722	0.7
202.08644	3.6
204.06561	1.0
206.08046	0.8
214.08687	1.0
216.10199	6.1
218.08090	7.6
219.08820	1.0
220.09779	0.8
226.08763	0.8
234.07677	1.2
234.11298	3.4
244.09669	8.2
250.10710	0.9
262.10681	11.6
280.11780	22.2
281.09201	1.2
298.12769	5.2
307.10730	0.8
332.15176	0.7
348.14520	1.2
352.12830	1.1
354.17224	0.7
378.15552	23.4
396.16553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05540	9.3
69.07066	11.1
77.88342	6.9
78.80061	6.4
81.07046	8.1
91.05503	6.8
95.08633	8.4
96.04504	13.0
98.06046	55.4
102.12656	7.0
110.06052	32.0
112.07597	35.1
119.08563	9.3
124.07590	32.5
131.45885	9.1
134.63199	7.7
136.03621	7.4
140.07072	42.5
157.01468	7.2
169.01582	11.4
174.98990	16.2
185.01047	8.6
189.00586	44.2
206.33551	7.5
219.63737	7.2
225.65120	7.6
254.10558	8.7
307.90854	7.1
336.22046	33.9
337.16827	100.0
354.23166	50.4
360.28885	8.6
372.23950	10.2
378.29996	73.1
396.24271	45.8
396.30734	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05540	9.3
69.07066	11.1
77.88342	6.9
78.80061	6.4
81.07046	8.1
91.05503	6.8
95.08633	8.4
96.04504	13.0
98.06046	55.4
102.12656	7.0
110.06052	32.0
112.07597	35.1
119.08563	9.3
124.07590	32.5
131.45885	9.1
134.63199	7.7
136.03621	7.4
140.07072	42.5
157.01468	7.2
169.01582	11.4
174.98990	16.2
185.01047	8.6
189.00586	44.2
206.33551	7.5
219.63737	7.2
225.65120	7.6
254.10558	8.7
307.90854	7.1
336.22046	33.9
337.16827	100.0
354.23166	50.4
360.28885	8.6
372.23950	10.2
378.29996	73.1
396.24271	45.8
396.30734	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37549	0.8
72.04498	1.1
76.04238	0.9
85.02882	1.9
89.07146	5.4
108.21882	1.1
116.03387	1.0
131.03403	2.1
137.05994	2.2
144.99509	2.4
145.04950	1.2
160.07521	1.4
161.05951	2.0
170.02769	1.8
175.28754	1.2
178.08623	77.6
184.09731	2.1
192.04936	1.1
192.10300	1.4
195.11282	1.2
214.84975	1.1
219.11293	24.2
220.09715	5.0
231.11243	29.3
231.13269	1.7
232.09673	17.3
232.38857	1.0
247.07338	1.3
248.13911	56.2
249.12299	25.0
249.14687	1.2
258.12408	1.5
266.15030	18.8
276.13358	1.5
330.06537	1.2
340.15820	1.1
360.19156	19.9
378.20410	1.4
396.10324	12.5
396.21277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31174	1.8
53.03960	2.2
55.01878	4.6
57.03438	2.6
61.02935	2.8
69.03436	32.2
69.35383	2.7
71.04995	4.1
71.08627	1.9
72.36374	1.9
72.77414	1.9
73.02898	3.1
79.05454	3.1
81.03433	22.1
85.02909	100.0
86.06053	3.3
87.00829	36.8
93.86509	2.3
97.02890	23.5
99.04460	17.6
103.05459	10.5
105.01223	4.3
105.01875	77.3
105.07071	2.4
107.04979	9.5
109.02871	31.7
112.07616	2.1
127.03912	76.8
131.04953	17.1
133.57837	2.4
145.04953	24.4
147.02870	2.7
158.08087	2.9
159.02879	15.0
172.32036	2.2
200.84743	2.4
230.15410	22.4
231.04907	23.4
249.05988	16.4
273.28241	2.3
361.18414	2.4
378.20602	16.5
394.30719	2.7
396.17590	2.2
396.21762	39.5
396.27042	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17107	10.0
65.19307	11.1
85.74098	10.9
107.65169	10.1
119.48374	10.1
138.12880	9.7
159.17122	9.6
181.74094	10.4
192.81960	11.6
197.14008	9.3
197.59679	12.7
218.01208	10.0
246.10303	10.4
267.41898	11.0
270.09897	13.3
280.54291	12.8
326.03067	11.7
336.22125	19.2
341.97748	13.2
352.21429	14.8
354.22955	100.0
396.24097	98.5
396.29758	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24461	2.0
50.73893	1.8
51.48040	1.9
67.05502	2.6
81.07043	2.8
93.06982	2.1
95.08595	3.5
98.97578	15.6
100.18771	2.5
104.90721	2.3
111.10145	2.6
116.98618	9.6
119.08527	3.4
121.06506	34.8
134.99687	4.1
138.09134	4.0
173.46550	2.9
318.21088	23.1
334.20465	10.9
336.18134	3.4
336.22122	100.0
354.23248	10.8
378.23145	13.9
396.24136	61.6
396.28949	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	3.5
62.44728	1.5
64.38014	1.4
67.05509	14.7
69.07075	2.8
74.02447	21.2
79.05484	1.9
81.07065	19.8
83.08640	2.8
88.03997	55.6
91.05509	1.5
91.20602	1.6
93.07030	4.0
95.08615	17.6
96.41328	1.4
97.10175	1.9
109.10173	6.3
116.03458	24.3
119.08615	2.0
123.11733	2.6
127.40504	1.5
130.93243	1.5
134.04495	100.0
161.13164	2.2
228.08995	2.0
245.22552	6.7
263.23590	2.1
294.24429	1.9
336.22116	7.6
354.23172	9.0
372.24542	2.4
396.23947	8.3
396.27737	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
57.07071	1.6
60.89846	1.4
65.99195	1.2
66.26978	1.1
67.05512	16.1
69.07074	3.2
70.02963	1.4
71.97179	1.2
74.02441	24.9
79.05497	2.8
81.07061	17.7
83.08601	2.4
88.03991	63.2
93.07024	6.2
95.08607	17.8
105.07001	2.9
107.08601	2.6
107.77155	1.5
109.10146	10.6
110.96349	1.4
116.03455	25.1
119.08582	2.3
121.10171	3.5
123.11697	1.9
133.10126	3.1
134.04491	100.0
135.11740	2.2
149.13229	1.5
161.13275	1.7
193.05685	1.3
260.62170	1.5
263.23730	5.9
378.26144	1.9
396.27243	13.3
406.43832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
67.05502	5.3
69.07060	1.3
77.38622	0.7
78.45625	0.7
79.05503	6.0
81.07056	5.3
83.08617	0.8
91.05471	5.0
93.07053	14.4
95.04960	1.3
95.08607	5.3
95.66472	0.9
105.07043	2.0
106.11761	0.8
107.08572	6.5
109.06542	0.8
109.10168	3.4
119.08612	5.8
121.06509	100.0
121.10136	7.5
126.76770	0.8
129.07011	0.8
131.08583	1.1
133.10136	2.0
135.11714	6.2
136.07579	3.5
138.09164	17.7
145.35005	0.8
147.11659	4.1
149.13237	5.2
149.15895	0.9
161.13235	4.2
163.14784	1.0
164.20172	0.9
175.14825	5.6
178.30295	0.8
217.19514	1.9
234.14700	1.1
241.19527	1.6
259.20557	3.3
274.18011	0.9
336.22052	4.2
354.22702	1.0
396.24698	2.1
396.28983	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89926	0.5
67.05493	2.4
69.07075	0.9
79.05505	4.1
81.07061	4.1
83.08601	0.8
91.05486	3.2
93.07046	7.5
95.08595	3.0
100.07603	0.6
103.05500	1.0
105.07037	4.8
107.08607	5.1
109.10126	1.0
119.08578	1.3
121.06504	100.0
121.10126	4.9
131.08534	1.0
133.10133	6.4
135.11685	4.8
136.07593	0.9
138.08131	0.9
138.09146	18.4
145.10068	0.6
147.11705	2.8
149.13287	4.2
159.11748	1.0
161.13232	2.6
163.14743	0.9
171.11694	0.9
173.13243	1.2
175.14824	3.6
217.19493	1.3
241.19595	0.9
259.20520	3.2
266.75992	0.6
318.89493	0.7
336.21890	1.2
396.28943	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
63.62849	0.5
67.05503	5.0
69.07054	2.2
77.17113	0.5
77.46641	0.6
79.05505	3.6
81.07059	5.1
84.89851	0.5
91.05487	11.3
93.07024	4.2
95.08588	4.4
97.39308	0.4
99.70147	0.5
105.07029	0.9
107.04955	2.3
107.08596	3.0
109.10133	1.2
119.04938	12.8
119.08574	0.6
121.06503	3.4
121.10144	1.8
121.44495	0.5
123.11684	0.7
133.10175	0.8
135.11679	1.8
136.07578	100.0
138.09169	0.7
148.71620	0.5
149.13240	0.6
179.14116	0.5
261.22128	0.7
290.24734	2.4
323.67139	0.6
325.54648	0.6
396.28897	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
67.05502	5.3
69.07060	1.3
77.38622	0.7
78.45625	0.7
79.05503	6.0
81.07056	5.3
83.08617	0.8
91.05471	5.0
93.07053	14.4
95.04960	1.3
95.08607	5.3
95.66472	0.9
105.07043	2.0
106.11761	0.8
107.08572	6.5
109.06542	0.8
109.10168	3.4
119.08612	5.8
121.06509	100.0
121.10136	7.5
126.76770	0.8
129.07011	0.8
131.08583	1.1
133.10136	2.0
135.11714	6.2
136.07579	3.5
138.09164	17.7
145.35005	0.8
147.11659	4.1
149.13237	5.2
149.15895	0.9
161.13235	4.2
163.14784	1.0
164.20172	0.9
175.14825	5.6
178.30295	0.8
217.19514	1.9
234.14700	1.1
241.19527	1.6
259.20557	3.3
274.18011	0.9
336.22052	4.2
354.22702	1.0
396.24698	2.1
396.28983	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3473
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
53.76405	1.0
59.66184	1.2
67.05507	1.6
69.07072	4.6
81.07076	3.0
83.08624	2.2
86.09715	100.0
95.08593	2.2
109.73109	1.2
121.88747	1.2
132.10211	45.5
142.73647	1.1
151.55107	1.1
152.47661	1.2
257.19608	1.3
260.99228	1.3
278.55890	1.5
350.34174	3.1
365.91568	1.4
396.34790	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1279
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
53.45663	0.4
56.81611	0.5
65.36591	0.4
74.20963	0.6
75.04493	0.5
75.24212	0.4
83.75841	0.6
86.82944	0.4
96.24150	0.5
137.43112	0.5
145.08272	0.5
234.06781	0.8
235.07326	0.6
247.07422	2.1
249.09158	1.9
259.07523	1.2
260.08286	1.2
261.09064	2.0
262.09885	0.7
263.06985	3.3
263.10413	0.7
275.07077	2.6
276.07800	1.1
277.08612	8.6
278.09412	3.7
279.06491	3.0
279.09848	0.8
289.05307	1.2
289.08606	5.2
290.05618	0.7
291.06525	3.8
291.10156	6.0
292.07288	1.1
293.08191	1.3
293.11572	0.9
294.08871	0.9
295.09738	2.0
303.06558	0.9
303.09949	0.7
304.07330	3.6
305.04770	0.8
305.08032	6.3
306.08801	6.4
307.05978	5.0
307.09634	4.6
308.06955	0.6
317.08377	0.8
318.08737	0.9
319.05942	3.7
319.09692	3.2
320.06799	1.2
320.10413	2.2
321.07516	11.5
321.11227	22.1
322.08401	11.0
322.11877	1.6
323.09030	8.1
324.06277	1.1
332.06702	0.8
333.07596	6.5
334.08276	0.9
335.05438	3.9
335.09149	13.5
335.12729	1.2
336.06192	0.8
336.09839	2.9
337.10687	12.1
338.11545	1.3
339.08530	2.6
348.09897	1.3
349.07205	5.3
350.07785	9.0
351.08542	10.1
351.12332	4.0
353.13989	0.7
364.09363	0.6
365.10190	18.1
366.10855	4.9
366.14780	0.8
367.08054	9.2
367.12134	0.8
379.11658	2.6
381.09561	2.3
382.10544	6.2
397.12769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.128
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
52.80475	0.8
75.95654	0.9
81.39146	1.1
121.32550	1.0
229.09843	1.2
246.06868	1.5
247.07436	2.7
249.09047	1.5
260.08511	1.3
261.09036	1.3
262.09842	2.4
263.06982	4.6
265.08539	1.6
275.06982	1.7
276.07849	2.2
277.08575	12.2
278.09274	4.8
279.10092	5.8
288.07788	1.2
289.08505	7.9
290.05731	1.3
291.06497	4.6
291.10135	4.7
292.07306	2.0
293.08224	1.9
293.11649	2.1
295.09567	1.6
304.07141	4.1
305.08191	11.3
306.08762	9.2
307.05969	7.4
307.09619	9.0
308.10452	1.8
309.11221	1.8
318.08868	1.7
319.05960	2.4
319.09488	2.3
320.06573	1.7
321.07507	12.6
321.11224	26.5
322.08350	9.5
322.12027	4.3
323.09149	10.6
332.06818	1.7
333.07581	9.8
334.08255	1.6
335.05402	4.8
335.09122	15.7
335.12677	2.3
336.06265	2.1
336.09991	2.1
337.10654	14.1
338.11246	1.7
339.08548	5.0
348.09827	5.6
349.07086	5.6
350.07898	8.9
351.08578	12.3
351.11978	10.1
353.13971	1.6
365.10284	18.7
366.10849	5.2
366.14798	1.5
367.08139	11.8
367.11996	1.7
369.13150	1.4
379.11530	2.3
381.09460	2.4
382.10202	2.1
397.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1279
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
62.75734	1.2
69.63499	1.3
79.34005	1.1
82.67545	1.3
83.15737	1.4
127.71438	1.3
191.07056	3.0
226.14777	1.3
247.07622	1.4
249.08910	1.7
261.08902	2.5
263.06985	2.6
275.07135	2.5
277.08496	8.1
278.09344	3.1
279.06305	1.8
279.09985	1.6
289.08542	2.9
291.06439	4.7
291.10083	6.6
304.07288	2.2
305.07990	7.7
306.08832	6.3
307.05939	5.6
307.09567	5.7
309.11435	2.4
319.05991	5.1
319.09558	2.3
320.10303	2.5
321.07434	10.3
321.11105	21.7
322.08307	7.3
322.11868	2.7
323.09052	7.0
333.07410	8.4
335.05524	2.3
335.09076	12.0
336.09695	1.7
337.10648	10.7
348.09790	5.2
349.07040	5.8
350.07715	6.2
351.08566	9.4
351.12228	5.4
365.10242	14.3
366.10941	6.3
367.07965	7.5
369.13455	2.3
379.11444	2.2
382.10223	4.4
397.12680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1279
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
56.37915	0.8
58.11940	0.9
65.42751	1.0
137.05890	1.5
146.37880	1.0
151.07562	1.7
183.05154	1.0
195.63715	1.0
247.07393	1.4
261.09180	1.1
263.06949	2.4
264.91000	1.2
265.08432	1.3
275.06998	1.1
276.07858	1.2
277.08612	6.5
278.09412	1.8
279.06497	1.8
279.10052	1.3
289.08447	5.0
290.09479	1.2
291.06476	2.5
291.10095	5.3
292.87070	1.2
293.08661	1.4
295.09619	1.3
303.06525	1.7
304.07300	2.2
305.07944	7.7
306.08847	7.4
307.05872	5.9
307.09540	4.9
319.05920	2.0
319.09436	2.1
320.06659	2.0
320.10086	1.6
321.07458	17.4
321.11154	22.4
322.08264	10.4
323.08945	6.6
324.06134	1.7
333.07492	6.4
335.05756	3.0
335.09000	11.1
337.10730	13.1
339.08517	2.5
349.06912	4.9
350.07843	7.9
351.08466	10.6
351.12134	3.4
365.10202	19.8
366.10757	3.8
367.08109	10.9
381.09332	2.3
382.10190	5.8
397.12637	100.0
397.26901	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06642	0.8
53.03957	1.7
54.79708	0.8
55.01878	6.2
61.80404	0.9
69.03430	6.0
71.04989	1.2
73.02927	10.4
81.03432	14.4
85.02914	6.7
90.37735	0.9
93.34168	1.0
97.02894	4.2
99.04456	100.0
109.02869	7.8
127.03898	11.5
128.03441	1.3
130.23839	1.0
147.22449	0.9
218.06650	4.3
243.08583	8.7
326.08484	1.3
344.09729	13.2
362.10846	20.2
397.14182	4.5
416.52817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.0
59.09636	1.3
59.76968	1.5
63.19288	1.4
65.03948	2.6
67.05510	1.9
69.03416	2.7
80.04977	1.6
81.03413	9.3
81.07065	12.1
82.06616	3.2
84.46831	1.7
85.02908	9.8
85.19773	1.4
90.05486	1.7
93.05797	1.7
96.02134	1.5
97.02911	12.1
99.04466	12.1
103.76340	1.8
107.04993	2.0
108.04492	1.7
109.02883	33.6
110.06046	23.0
117.05514	3.9
121.06535	3.2
122.06836	2.3
125.05973	15.1
127.03919	25.5
142.02658	2.9
145.05000	1.9
147.04417	2.8
152.04752	1.6
153.05458	24.4
164.07199	1.8
170.05745	7.3
171.06541	6.9
182.04482	100.0
200.05518	8.5
202.04660	2.1
202.70314	1.7
218.06573	13.9
225.07547	18.4
272.07602	2.9
290.08624	9.4
297.09619	13.7
315.10507	2.0
326.08856	11.5
344.09753	49.1
353.11252	3.8
362.10797	15.0
379.15433	2.4
397.10016	3.0
397.14801	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
55.01877	3.9
60.33661	0.9
69.03415	2.4
73.02941	7.0
81.03420	12.3
85.02914	5.7
97.02879	2.0
99.04456	100.0
108.04471	1.2
109.02872	8.5
121.06464	1.6
124.34270	1.0
127.03906	9.2
128.03441	1.6
152.09706	0.9
156.26523	1.0
161.06012	1.0
178.08643	5.4
218.06607	2.2
243.08620	12.1
262.38626	1.0
326.08282	1.1
344.09781	8.8
362.10797	18.5
397.17746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62899	1.1
54.51737	1.3
70.06597	6.5
72.08162	1.5
81.03375	1.8
85.02900	2.0
86.09696	1.6
87.04465	22.4
95.75329	1.3
99.04448	3.3
106.06586	1.7
108.04512	1.7
124.03978	1.6
125.44447	1.4
127.03963	2.2
127.66283	1.5
136.03951	3.4
148.07581	16.2
150.05496	13.0
160.03947	6.3
160.07619	10.8
162.09033	2.5
164.09541	1.2
166.08641	10.0
174.09148	13.4
176.07065	9.5
178.04965	1.6
178.08621	3.0
189.59833	1.4
190.86758	1.4
192.10143	11.1
194.08110	16.8
202.08681	6.2
204.06581	8.8
206.08124	2.6
209.09160	2.2
210.07585	12.6
218.08087	8.7
220.06030	3.1
220.09669	7.2
221.09283	2.2
222.07616	44.1
236.09161	65.0
237.08633	1.6
239.10240	3.4
246.07600	31.2
263.10260	10.2
264.08655	100.0
265.24765	1.3
281.11365	16.0
282.09671	17.5
294.07642	2.5
295.08203	1.8
307.08597	1.5
324.08704	2.4
353.11380	6.4
362.12207	6.9
379.15500	2.6
382.15231	2.5
397.10434	6.8
397.17737	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
89.03929	1.0
91.05492	2.0
114.09174	3.3
117.03360	1.1
119.04977	3.8
122.03642	1.2
129.07040	1.2
131.04971	0.9
131.08592	1.2
137.05984	48.0
144.05695	0.9
145.02849	17.0
147.04456	1.0
149.06020	5.3
151.07538	7.2
153.05493	0.9
157.06551	1.2
159.08047	3.4
161.05984	7.6
161.09616	1.3
165.07077	1.8
171.08038	2.0
172.08907	1.1
173.09714	1.1
175.07492	1.4
177.05470	27.9
180.03479	0.9
182.07280	1.4
184.08839	1.2
185.09668	3.5
187.07602	3.8
187.11194	1.7
189.09039	1.1
191.07088	4.9
195.07991	1.3
197.09634	6.8
198.06677	6.2
199.07652	4.0
199.11403	1.0
200.08353	1.0
201.09166	1.9
211.07594	1.0
212.08383	1.6
213.09106	14.8
215.10794	4.1
225.09174	6.2
231.08054	1.0
231.10254	1.0
243.10158	11.8
245.09561	1.1
245.11801	1.3
246.10667	0.9
255.10220	4.1
257.09766	1.0
261.09238	1.4
265.08673	1.0
271.07492	1.4
273.11246	24.3
273.13980	1.0
274.09869	1.2
275.10822	1.8
277.08688	1.6
287.07327	0.9
288.07797	1.1
289.08682	1.0
289.12149	1.6
290.09393	1.3
291.10211	5.6
293.08105	2.0
293.11673	1.7
295.49783	0.9
301.12637	0.9
302.09436	1.7
303.10193	3.3
305.08624	1.0
305.11758	1.5
307.09753	6.0
308.10257	2.0
317.11847	5.1
319.09726	1.4
321.11160	7.7
324.12549	1.5
325.10681	1.7
333.11243	3.7
335.13028	4.1
336.12814	4.4
337.13358	5.1
338.13730	1.4
339.12277	2.0
349.14670	1.6
351.12149	7.0
352.15482	15.7
353.13507	1.5
354.14764	6.1
361.14630	1.0
367.15942	1.2
379.15417	5.7
397.16647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74316	1.8
81.07046	8.4
99.04457	2.2
104.00209	1.7
105.07055	2.1
107.04934	3.1
108.05721	2.8
133.06453	3.8
136.05194	11.9
137.13277	2.9
151.07538	100.0
151.08754	3.5
160.05186	24.0
161.06000	7.8
171.08090	2.2
175.07533	65.4
199.07549	25.5
231.08038	2.4
245.09619	2.6
246.10397	9.1
247.07394	2.9
259.07578	2.6
260.08270	2.1
261.09143	3.2
262.09882	2.9
263.10681	4.4
273.09094	4.0
274.09845	13.3
275.10681	8.7
277.12228	8.6
290.09482	3.9
291.10129	27.9
305.11737	21.9
306.12515	29.2
309.14868	2.2
322.11942	2.4
333.53943	2.1
337.14307	47.8
339.12222	2.0
340.13083	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27160	1.4
58.03079	1.4
59.49731	1.4
59.52259	1.4
63.23291	1.3
91.05470	3.0
105.07018	3.4
107.04978	2.4
121.00161	1.6
133.06480	3.4
136.05237	14.5
137.05960	3.1
144.99863	1.9
147.08072	2.2
151.07539	100.0
155.49919	1.8
160.05197	25.5
161.05965	10.4
163.07515	2.5
167.04984	2.4
175.07542	64.9
184.05209	4.1
199.07564	26.9
231.08157	2.8
233.09616	2.6
245.09596	3.5
246.10413	9.1
247.07463	3.0
259.07639	2.9
261.08969	2.6
262.09979	3.2
263.10837	2.6
273.09039	10.8
274.09918	12.8
275.10709	9.3
277.12305	7.9
279.09964	2.3
289.08545	3.6
290.09467	8.1
291.10196	26.0
305.11612	18.2
306.12558	28.7
307.09647	7.4
321.11154	2.8
322.11609	2.3
337.10516	3.4
337.14334	62.3
397.12756	20.2
397.27448	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71143	0.3
53.03966	2.9
54.05634	0.3
57.03447	0.6
59.58427	0.4
69.03435	2.4
70.06593	2.6
71.04999	4.4
74.60714	0.4
81.03416	7.9
83.04992	3.4
85.02907	5.6
89.06042	1.6
92.18229	0.4
94.75076	0.4
95.09859	0.4
97.02905	3.4
99.04464	100.0
101.06025	16.9
105.95795	0.4
109.02893	2.2
117.05499	11.6
118.37469	0.4
119.07071	0.8
127.03935	4.0
137.08134	3.8
145.04971	1.6
148.20790	0.4
157.09758	0.9
157.23892	0.4
164.06918	0.5
213.12404	0.8
243.08591	1.6
257.29642	0.5
261.09744	5.4
281.12244	0.4
300.00897	0.4
361.14914	0.7
363.56033	0.4
397.10922	3.0
397.15945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1703
Annotation	Mirabegron
Peak:m/z	Relative Intensity
53.03956	3.1
55.05518	0.8
69.03426	1.0
71.04992	5.2
76.20553	0.6
77.42450	0.6
81.03429	7.3
83.04985	3.5
85.02921	5.6
97.02914	4.5
99.04459	100.0
100.04752	0.6
101.06017	15.5
109.02895	2.3
117.05484	11.5
127.03910	3.7
136.01646	0.6
137.08098	3.8
145.04903	1.3
243.08647	1.0
261.09680	6.7
279.64746	0.6
281.12128	0.8
321.48108	0.6
379.15744	0.8
402.76691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.05518	0.8
69.03426	1.0
71.04992	5.2
76.20553	0.6
77.42450	0.6
81.03429	7.3
83.04985	3.5
85.02921	5.6
97.02914	4.5
99.04459	100.0
100.04752	0.6
101.06017	15.5
109.02895	2.3
117.05484	11.5
127.03910	3.7
136.01646	0.6
137.08098	3.8
145.04903	1.3
243.08647	1.0
261.09680	6.7
279.64746	0.6
281.12128	0.8
321.48108	0.6
379.15744	0.8
402.76691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
67.98161	1.1
69.03429	1.8
71.04991	7.8
71.56838	1.0
81.03444	9.5
83.04990	1.9
85.02908	8.7
97.02888	2.8
99.04454	100.0
101.06025	5.9
103.61882	1.2
117.05473	11.0
119.07045	1.5
127.03905	2.9
128.50620	1.3
137.08076	5.1
145.05003	1.7
178.67810	1.0
243.08708	1.4
261.09647	6.2
280.07980	2.0
281.08984	4.3
282.09543	16.0
294.09445	7.3
308.11066	10.6
324.16925	1.2
336.10529	9.4
353.13177	15.6
356.81677	1.3
380.09531	5.5
397.12012	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
67.98161	1.1
69.03429	1.8
71.04991	7.8
71.56838	1.0
81.03444	9.5
83.04990	1.9
85.02908	8.7
97.02888	2.8
99.04454	100.0
101.06025	5.9
103.61882	1.2
117.05473	11.0
119.07045	1.5
127.03905	2.9
128.50620	1.3
137.08076	5.1
145.05003	1.7
178.67810	1.0
243.08708	1.4
261.09647	6.2
280.07980	2.0
281.08984	4.3
282.09543	16.0
294.09445	7.3
308.11066	10.6
324.16925	1.2
336.10529	9.4
353.13177	15.6
356.81677	1.3
380.09531	5.5
397.12012	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
53.76411	0.5
64.12718	0.7
69.03427	3.4
70.06590	2.9
71.04995	6.7
76.31986	0.6
79.77789	0.7
81.03431	7.5
83.04982	7.4
85.02922	5.2
90.00011	0.6
97.02884	3.0
99.04456	100.0
101.06023	23.6
103.16703	0.6
109.02875	1.2
109.70210	0.7
112.07581	0.6
117.05488	14.4
117.85204	0.6
127.03886	3.0
134.38689	0.6
137.08099	8.3
143.08319	0.6
145.04974	1.2
153.05513	1.2
167.85648	0.7
261.09634	5.8
262.19321	0.7
281.12378	0.8
397.12234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1756
Annotation	Kopsamidine A
Peak:m/z	Relative Intensity
52.96992	0.7
53.19812	0.7
53.96106	0.7
54.54382	0.7
58.06575	0.9
59.33964	0.9
61.05678	0.8
69.34762	0.7
69.82529	0.8
82.50242	0.8
90.16038	1.0
101.94695	0.8
105.11517	0.8
120.55008	0.9
152.62407	0.9
160.74228	0.9
187.25833	0.9
200.53084	0.9
232.00224	1.0
237.13913	0.8
290.02579	0.9
321.91769	0.9
323.11221	1.1
325.11813	81.9
340.14240	4.7
351.13040	1.0
367.12888	89.8
382.15228	45.9
397.17609	100.0
409.19962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1757
Annotation	Kopsamidine A
Peak:m/z	Relative Intensity
64.36420	0.5
65.77663	0.6
68.55099	0.6
70.06601	0.6
72.66132	0.6
75.77782	0.6
76.13959	0.6
77.35680	0.6
81.05954	0.7
85.02927	0.7
99.04433	0.8
180.69785	0.6
188.07039	1.4
190.08681	2.7
220.09778	4.3
278.05826	1.3
290.05713	0.9
292.07260	1.2
293.06689	0.8
294.04315	1.2
294.07532	12.4
295.08374	9.6
306.07614	3.3
307.08301	12.3
308.09140	5.6
309.09677	1.5
320.09137	4.9
321.09964	7.0
322.10779	4.0
324.08646	10.1
324.11978	0.9
334.11038	0.7
336.12198	0.9
337.11972	2.7
338.10159	12.4
339.10974	1.6
351.10995	5.0
353.15155	1.3
364.14410	1.0
366.13419	1.6
379.16571	4.6
381.14478	1.0
382.15189	17.3
397.17599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52119	0.3
51.69228	0.3
53.34039	0.3
60.15008	0.3
62.29632	0.3
66.76657	0.3
70.06608	0.4
76.36535	0.3
86.11337	0.5
106.93433	0.3
116.18969	0.4
125.32677	0.4
127.03899	0.4
188.07062	0.8
190.08578	2.7
205.04857	0.4
206.08182	0.6
207.29684	0.4
243.25829	0.5
254.10115	0.5
262.06165	0.6
275.07047	0.8
278.05731	0.7
280.15271	0.4
290.05807	0.6
292.07272	1.5
293.06842	1.7
294.07565	12.3
295.08350	10.3
304.07309	1.7
306.07620	3.7
307.08334	11.4
308.09137	8.0
309.10010	2.8
320.09119	2.8
321.09924	5.7
321.23828	0.5
322.10657	3.9
324.08685	11.7
337.11771	2.4
338.10187	10.9
339.11029	1.6
350.10092	0.6
351.10904	4.5
352.11795	1.9
353.11417	0.6
364.13910	0.9
366.13321	0.7
367.12723	1.5
379.16425	4.0
382.15210	15.3
382.19934	0.7
397.11353	4.1
397.17560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1757
Annotation	Kopsamidine A
Peak:m/z	Relative Intensity
59.04205	0.3
61.67289	0.3
86.09718	0.4
98.70348	0.3
126.99032	0.3
154.77037	0.3
170.45589	0.4
176.07187	0.3
188.07057	1.8
190.08575	2.3
191.10338	0.4
206.08154	0.5
262.06348	0.3
275.07053	0.6
278.05679	0.8
280.21561	0.3
292.07263	0.8
293.06915	2.0
294.07574	13.4
295.08359	8.5
304.07129	0.6
305.07816	0.3
306.07544	3.1
307.08368	13.9
308.09149	7.9
309.09872	2.0
320.09219	2.2
321.09979	6.4
322.10815	3.7
322.21765	0.4
324.08649	12.3
333.09988	0.5
336.12210	0.6
337.11752	1.9
338.10165	9.7
339.11023	2.1
344.12506	0.4
350.10257	0.6
351.10956	4.4
352.11877	2.0
354.13171	0.5
364.14105	1.8
366.13568	1.3
367.12805	1.7
379.16455	3.8
382.15222	17.2
397.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	1.5
73.15121	0.7
89.27791	0.9
89.36811	1.0
90.37593	0.7
99.04469	4.9
123.04957	0.9
126.12032	0.9
136.07611	0.9
154.07434	0.8
156.89006	0.8
158.82155	0.7
188.07030	1.5
190.08652	1.7
193.88928	0.8
204.75352	0.8
207.08469	1.1
220.09830	1.0
222.96799	0.8
262.06290	1.1
275.07056	1.2
278.05780	1.0
281.09357	1.6
290.05386	0.9
293.09326	1.8
294.07629	17.5
295.08304	10.3
304.07193	1.0
306.07672	5.3
307.08371	16.6
308.09033	7.7
309.09921	1.1
320.09177	3.2
321.09906	7.9
322.10699	4.4
324.08612	11.6
337.11826	1.9
338.10226	10.9
350.10220	1.5
351.10944	4.9
352.11545	3.0
353.11166	7.1
364.14169	2.1
366.13278	1.2
379.16461	3.3
382.15268	17.9
385.89261	1.0
397.09885	12.2
397.17612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1758
Annotation	Kopsamidine A
Peak:m/z	Relative Intensity
70.06590	1.5
73.15121	0.7
89.27791	0.9
89.36811	1.0
90.37593	0.7
99.04469	4.9
123.04957	0.9
126.12032	0.9
136.07611	0.9
154.07434	0.8
156.89006	0.8
158.82155	0.7
188.07030	1.5
190.08652	1.7
193.88928	0.8
204.75352	0.8
207.08469	1.1
220.09830	1.0
222.96799	0.8
262.06290	1.1
275.07056	1.2
278.05780	1.0
281.09357	1.6
290.05386	0.9
293.09326	1.8
294.07629	17.5
295.08304	10.3
304.07193	1.0
306.07672	5.3
307.08371	16.6
308.09033	7.7
309.09921	1.1
320.09177	3.2
321.09906	7.9
322.10699	4.4
324.08612	11.6
337.11826	1.9
338.10226	10.9
350.10220	1.5
351.10944	4.9
352.11545	3.0
353.11166	7.1
364.14169	2.1
366.13278	1.2
379.16461	3.3
382.15268	17.9
385.89261	1.0
397.09885	12.2
397.17612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29092	0.5
52.54798	0.5
55.01871	0.5
58.06585	0.8
59.42031	0.6
59.93222	0.6
61.93569	0.6
62.37283	0.6
63.21088	0.6
69.28794	0.6
69.71302	0.6
71.43884	0.7
78.07138	0.6
84.68782	0.6
85.02905	0.7
92.51456	0.7
99.04453	7.0
121.06417	0.7
151.07547	2.8
162.05519	12.9
163.07486	0.9
164.07030	1.1
172.03470	0.9
176.07082	2.7
177.09132	1.1
178.08627	67.7
191.09381	18.0
192.10175	14.4
194.11729	8.4
204.10199	37.8
204.12105	1.1
206.11745	14.0
218.06607	0.9
218.11749	8.6
220.13318	100.0
308.08710	1.0
321.09363	2.1
322.10394	1.1
323.11148	4.6
397.15274	5.8
397.21301	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29092	0.5
52.54798	0.5
55.01871	0.5
58.06585	0.8
59.42031	0.6
59.93222	0.6
61.93569	0.6
62.37283	0.6
63.21088	0.6
69.28794	0.6
69.71302	0.6
71.43884	0.7
78.07138	0.6
84.68782	0.6
85.02905	0.7
92.51456	0.7
99.04453	7.0
121.06417	0.7
151.07547	2.8
162.05519	12.9
163.07486	0.9
164.07030	1.1
172.03470	0.9
176.07082	2.7
177.09132	1.1
178.08627	67.7
191.09381	18.0
192.10175	14.4
194.11729	8.4
204.10199	37.8
204.12105	1.1
206.11745	14.0
218.06607	0.9
218.11749	8.6
220.13318	100.0
308.08710	1.0
321.09363	2.1
322.10394	1.1
323.11148	4.6
397.15274	5.8
397.21301	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29092	0.5
52.54798	0.5
55.01871	0.5
58.06585	0.8
59.42031	0.6
59.93222	0.6
61.93569	0.6
62.37283	0.6
63.21088	0.6
69.28794	0.6
69.71302	0.6
71.43884	0.7
78.07138	0.6
84.68782	0.6
85.02905	0.7
92.51456	0.7
99.04453	7.0
121.06417	0.7
151.07547	2.8
162.05519	12.9
163.07486	0.9
164.07030	1.1
172.03470	0.9
176.07082	2.7
177.09132	1.1
178.08627	67.7
191.09381	18.0
192.10175	14.4
194.11729	8.4
204.10199	37.8
204.12105	1.1
206.11745	14.0
218.06607	0.9
218.11749	8.6
220.13318	100.0
308.08710	1.0
321.09363	2.1
322.10394	1.1
323.11148	4.6
397.15274	5.8
397.21301	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50133	0.6
55.05505	0.7
67.05480	1.1
69.07050	1.6
71.07583	0.6
73.61629	0.6
81.07063	2.8
83.05006	0.9
83.08605	0.7
88.39587	0.7
93.07024	3.7
95.08610	2.9
97.06489	1.1
98.04139	0.7
100.11244	6.5
105.06983	1.0
107.08604	4.9
109.10135	1.3
111.04429	3.3
111.08077	1.2
111.17183	0.8
112.52390	0.7
119.08553	0.9
121.06482	1.3
125.05981	12.3
133.10130	0.9
135.08058	1.0
135.11671	5.7
139.07552	0.9
145.10121	3.1
151.82761	0.7
153.12738	4.0
163.11186	4.1
181.12221	100.0
189.00400	0.8
190.73590	0.8
217.14336	4.9
353.88309	0.7
397.31131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.05510	2.3
57.07086	9.1
59.95384	1.0
64.61273	1.0
67.05511	10.2
69.07063	7.0
71.05008	5.1
79.05513	1.9
81.07069	9.3
82.79614	1.1
83.04985	2.8
83.08647	1.5
85.06535	7.6
93.07038	7.7
95.08604	17.5
97.06544	1.3
99.04462	2.2
105.07024	2.6
107.08575	6.1
109.06522	2.5
109.10178	5.9
111.04459	8.7
111.08040	1.6
119.08595	11.9
121.06509	9.7
121.10155	5.3
123.08057	2.0
125.05993	2.7
131.08569	1.6
133.10135	6.9
135.08047	2.4
135.11685	7.4
137.05981	61.3
137.96262	1.1
141.09103	100.0
145.10109	2.4
147.11688	2.3
149.09714	4.5
149.13292	1.1
161.09624	2.7
163.11183	2.1
175.11220	1.3
181.12245	10.4
184.73907	1.3
193.12128	1.5
193.15720	1.4
203.17973	2.0
231.17351	4.3
249.18456	5.8
257.17496	1.5
277.18008	53.4
279.23123	1.3
293.66644	1.2
295.18988	10.0
335.25818	2.1
397.30936	6.4
400.30301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45596	0.2
51.77930	0.2
54.33244	0.2
54.51484	0.2
55.05521	0.5
56.05037	0.3
57.69846	0.2
67.05501	1.5
69.07059	1.6
79.05485	1.8
81.07063	2.5
83.08636	0.4
85.33353	0.3
91.05492	3.5
93.06493	0.3
93.07050	8.2
95.04966	1.8
95.08607	2.2
96.93714	0.3
103.05466	2.6
105.04522	0.7
105.07016	1.2
106.50204	0.3
107.04991	0.4
107.08601	1.8
109.10152	0.5
117.07028	0.4
119.08580	1.7
121.06507	100.0
121.10133	1.9
131.08583	0.7
133.10110	0.7
135.08098	0.3
135.11707	0.7
145.10144	0.7
154.12270	0.4
157.10121	0.7
159.11774	0.4
168.13855	0.7
171.11713	1.2
173.09702	0.4
182.15417	1.6
185.13231	0.6
199.14879	0.5
210.18626	1.1
238.96878	0.3
277.21570	2.0
315.16324	0.3
357.89838	0.3
378.87781	0.3
379.29776	1.3
397.26395	4.7
397.31900	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45596	0.2
51.77930	0.2
54.33244	0.2
54.51484	0.2
55.05521	0.5
56.05037	0.3
57.69846	0.2
67.05501	1.5
69.07059	1.6
79.05485	1.8
81.07063	2.5
83.08636	0.4
85.33353	0.3
91.05492	3.5
93.06493	0.3
93.07050	8.2
95.04966	1.8
95.08607	2.2
96.93714	0.3
103.05466	2.6
105.04522	0.7
105.07016	1.2
106.50204	0.3
107.04991	0.4
107.08601	1.8
109.10152	0.5
117.07028	0.4
119.08580	1.7
121.06507	100.0
121.10133	1.9
131.08583	0.7
133.10110	0.7
135.08098	0.3
135.11707	0.7
145.10144	0.7
154.12270	0.4
157.10121	0.7
159.11774	0.4
168.13855	0.7
171.11713	1.2
173.09702	0.4
182.15417	1.6
185.13231	0.6
199.14879	0.5
210.18626	1.1
238.96878	0.3
277.21570	2.0
315.16324	0.3
357.89838	0.3
378.87781	0.3
379.29776	1.3
397.26395	4.7
397.31900	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06872	2.0
57.07090	35.3
67.05526	2.7
69.07072	5.7
70.02972	3.6
71.08638	57.5
74.02435	2.8
80.21848	2.3
81.07053	5.3
83.08626	3.6
85.10188	28.7
85.52525	2.4
86.19149	2.3
87.05577	16.9
88.03983	36.9
88.07024	2.4
89.06043	49.2
91.05510	3.5
92.20971	2.9
93.07037	24.1
95.04976	2.3
95.08643	3.0
97.10205	2.5
105.69180	2.7
107.08586	4.3
121.06509	90.4
121.10059	3.3
123.86311	2.6
133.06071	33.2
133.08600	17.8
145.16174	2.6
147.08047	3.1
154.12265	12.4
165.09129	27.8
168.13789	21.2
177.11201	3.5
182.15451	9.7
185.16510	10.2
196.16980	10.3
197.19478	2.6
209.11739	5.5
210.18559	15.6
224.05418	2.8
247.20688	3.6
271.15384	100.0
272.06998	2.3
352.28354	2.9
379.29178	8.6
380.27905	16.2
397.30511	29.8
397.34927	4.0
406.46588	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12926	0.6
55.05511	0.7
57.07060	1.2
57.29450	0.6
63.85740	0.5
64.10867	0.6
67.05505	2.8
68.54317	0.6
69.07061	1.5
70.06604	0.6
74.06081	5.3
81.07049	1.1
82.06575	0.8
83.05019	0.8
83.08649	0.8
84.06883	0.6
85.02898	4.0
88.03994	28.9
89.83091	0.6
90.05551	1.3
95.08588	1.0
98.06042	1.2
99.04442	1.0
99.09247	1.1
100.07616	8.8
100.11253	1.3
109.06486	0.6
109.10153	1.6
113.08792	0.7
116.07104	4.5
119.08603	3.0
121.10142	0.8
125.09721	0.8
126.05516	36.3
127.03946	5.0
130.07407	1.2
139.70172	0.6
143.08183	4.0
144.06615	0.9
150.48441	0.6
160.01266	0.6
162.07631	1.1
227.17691	0.8
253.26366	23.9
253.28964	1.2
265.63300	0.6
292.26346	12.5
307.27490	4.4
308.25949	0.9
309.28763	1.1
323.27002	5.1
325.28482	4.1
335.30545	2.5
379.29663	6.3
380.27853	1.0
397.19769	4.0
397.30600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
57.07083	4.6
67.05535	3.6
69.07073	15.3
70.02943	10.7
74.02427	5.7
74.06088	11.5
79.05479	3.4
81.07067	14.0
83.08636	4.0
84.92683	2.3
87.05595	62.1
88.03996	100.0
93.07065	3.6
94.83933	2.3
95.08620	13.6
97.10162	4.8
109.10148	6.3
114.53972	2.7
116.03428	5.7
121.06453	4.3
121.10152	5.4
133.06094	72.0
135.08798	3.0
135.11696	11.3
210.18646	5.7
237.20934	2.7
244.72038	2.9
274.27408	3.4
287.56885	2.9
338.26831	3.5
347.93680	3.5
352.28345	16.4
380.27936	52.7
397.30685	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11973	4.4
55.05505	4.7
67.05505	10.0
69.07048	12.0
72.95883	4.5
77.62709	4.8
79.05515	8.4
81.07075	19.6
83.08611	5.9
91.05466	8.1
93.07047	10.9
95.08613	21.7
97.70547	4.6
102.58012	4.7
105.07043	8.0
107.08614	19.8
109.10151	8.1
111.08030	5.1
119.08603	9.8
121.10120	27.2
131.08577	9.4
133.10110	26.1
135.11707	10.9
145.10104	10.5
147.11713	19.8
149.13286	6.4
151.27560	5.0
154.12253	6.0
161.13235	21.2
171.14890	6.4
173.13269	5.3
175.14845	7.1
181.79199	4.7
184.82565	4.5
191.06998	5.4
196.16859	6.9
199.14868	5.8
202.30658	5.4
210.18492	11.2
280.80365	5.8
289.25360	6.7
299.23907	19.1
316.26392	11.8
317.24683	61.6
333.28888	8.2
334.27457	25.5
351.30045	100.0
361.28537	20.8
379.29401	73.4
397.30560	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26386	1.3
54.04655	1.2
55.05523	3.4
56.89842	1.2
57.07078	7.1
65.61201	1.4
67.05491	2.1
69.07062	12.3
70.02954	8.2
71.08665	1.5
74.02444	12.5
81.07047	9.5
83.08614	7.0
85.06538	1.8
87.05593	61.3
88.03991	90.3
88.28321	1.3
92.21455	1.8
93.07068	2.5
95.08600	9.7
96.04483	2.0
97.10159	3.6
107.08572	2.3
107.56110	1.5
109.10178	3.6
111.11720	1.9
111.29585	1.4
116.03464	7.2
121.06510	3.4
121.10161	7.9
133.06084	100.0
135.11679	2.7
149.13313	1.5
169.19540	1.5
265.25226	2.9
271.15189	2.1
277.18033	11.2
278.18289	35.0
352.28275	16.0
380.28003	47.8
397.30801	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11293	0.5
53.47183	0.5
55.05517	1.3
56.05040	5.2
57.77546	0.6
67.05505	5.0
69.07076	4.4
70.06588	1.0
79.05502	1.2
81.07048	6.4
83.08627	4.0
84.08155	0.7
91.05479	1.0
92.21727	0.5
93.07056	3.3
95.08607	5.4
97.06519	0.9
97.10147	3.7
105.07027	2.8
107.08607	4.4
109.10146	3.3
111.08065	1.2
111.43965	0.7
121.10097	1.1
123.11725	1.2
124.11216	2.5
125.09635	2.6
133.10147	2.9
135.08060	1.1
135.11716	0.7
136.05208	0.9
149.13277	2.7
151.07556	6.7
151.11148	0.8
154.12286	0.8
160.05249	1.0
163.07494	0.6
163.14795	1.0
166.15948	2.4
167.15419	4.3
168.13828	94.7
170.11765	3.3
175.07529	3.3
175.14879	1.2
182.15416	2.8
185.16484	26.4
187.56259	0.6
192.17448	0.7
196.16922	0.8
199.07568	1.2
209.20073	5.5
210.18520	100.0
212.16472	2.6
227.21173	15.5
291.10077	1.2
305.11624	1.3
306.12482	1.1
320.09113	0.9
337.14291	3.4
344.26001	0.9
356.11563	0.7
361.28513	6.0
362.26749	3.2
379.25235	0.9
379.29529	22.2
380.11398	4.0
380.28064	7.8
397.14127	1.5
397.30618	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11293	0.5
53.47183	0.5
55.05517	1.3
56.05040	5.2
57.77546	0.6
67.05505	5.0
69.07076	4.4
70.06588	1.0
79.05502	1.2
81.07048	6.4
83.08627	4.0
84.08155	0.7
91.05479	1.0
92.21727	0.5
93.07056	3.3
95.08607	5.4
97.06519	0.9
97.10147	3.7
105.07027	2.8
107.08607	4.4
109.10146	3.3
111.08065	1.2
111.43965	0.7
121.10097	1.1
123.11725	1.2
124.11216	2.5
125.09635	2.6
133.10147	2.9
135.08060	1.1
135.11716	0.7
136.05208	0.9
149.13277	2.7
151.07556	6.7
151.11148	0.8
154.12286	0.8
160.05249	1.0
163.07494	0.6
163.14795	1.0
166.15948	2.4
167.15419	4.3
168.13828	94.7
170.11765	3.3
175.07529	3.3
175.14879	1.2
182.15416	2.8
185.16484	26.4
187.56259	0.6
192.17448	0.7
196.16922	0.8
199.07568	1.2
209.20073	5.5
210.18520	100.0
212.16472	2.6
227.21173	15.5
291.10077	1.2
305.11624	1.3
306.12482	1.1
320.09113	0.9
337.14291	3.4
344.26001	0.9
356.11563	0.7
361.28513	6.0
362.26749	3.2
379.25235	0.9
379.29529	22.2
380.11398	4.0
380.28064	7.8
397.14127	1.5
397.30618	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3059
Annotation	Bengamide K
Peak:m/z	Relative Intensity
55.05519	6.4
63.47406	2.5
67.05503	22.2
69.07065	17.8
79.05496	14.0
81.07080	28.4
83.08614	14.2
86.15368	2.8
91.05461	17.3
93.07040	22.8
95.04963	4.0
95.08618	36.6
97.06544	5.3
97.10151	12.4
105.07040	15.5
107.04931	3.5
107.08579	17.6
109.06521	3.4
109.10132	22.2
110.79622	2.8
111.08096	3.6
114.55253	2.6
117.07013	13.3
119.08566	17.7
121.10139	38.6
123.08014	3.7
123.11695	5.3
131.08559	16.7
132.71091	2.7
133.10117	37.2
135.08058	5.4
135.11705	22.3
137.09656	4.4
139.11206	4.3
140.92372	2.9
145.10123	19.0
147.11658	20.4
149.09662	4.5
149.13261	6.5
151.07584	2.9
154.12286	41.7
159.11668	11.9
161.13245	17.2
163.11244	6.0
163.14810	3.3
171.11653	3.6
171.14888	18.0
173.13261	13.9
175.14810	11.2
175.17680	2.7
176.33902	3.2
177.12717	4.6
182.15424	18.4
184.13327	13.3
185.13390	2.8
187.14821	4.7
191.14235	2.9
196.16997	22.3
198.14966	4.8
289.25192	5.2
299.20721	3.0
299.23703	21.5
316.26355	18.3
317.24716	66.9
333.28806	13.3
334.27460	26.8
345.24265	3.3
351.30057	100.0
361.28494	15.9
362.26682	14.4
379.25009	5.2
379.29535	98.5
380.27936	11.7
397.30731	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
55.37437	0.5
56.05029	6.4
63.28546	0.6
67.05503	4.1
69.07078	4.3
79.05499	0.9
81.07061	1.4
83.08606	1.4
85.99150	0.5
90.83717	0.5
91.04195	0.6
91.05469	1.1
92.09076	0.5
93.07025	2.8
95.08599	3.6
97.10192	1.1
107.08593	1.2
109.10165	11.2
111.08104	0.7
111.11726	1.4
115.71085	0.5
116.66007	0.6
119.08548	1.0
121.10126	0.7
125.09610	1.0
133.10083	0.8
136.11145	0.6
137.09608	3.5
151.07520	1.2
153.13879	4.9
154.12265	100.0
163.14824	1.3
171.14915	40.9
172.13234	1.0
175.07518	0.9
180.17424	1.1
191.06996	1.3
224.19949	1.2
226.18002	2.5
319.08252	0.8
327.88278	0.6
361.28427	3.8
362.26889	3.0
379.29547	14.7
397.12396	1.1
397.30606	21.5
397.35016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30046	0.9
55.05524	1.6
55.15135	1.1
56.85820	0.9
57.07067	4.7
67.05517	1.3
69.07067	7.0
69.68417	1.2
71.08619	6.1
81.07059	6.8
83.08617	5.3
85.10182	2.6
91.05500	2.8
93.07059	1.4
95.08609	10.4
97.10169	7.0
97.39978	1.2
109.10145	8.7
111.11707	1.5
117.87257	1.1
121.06503	100.0
123.11692	2.7
133.06580	1.2
135.08064	2.7
135.11688	1.7
137.13255	1.4
147.08026	10.2
151.14799	1.5
161.09598	5.2
165.16505	1.7
175.11124	1.5
179.17889	1.5
215.14407	1.5
275.27258	1.3
284.96326	1.2
313.25198	1.4
318.97479	1.1
397.34543	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3461
Annotation	Dendronesterone B
Peak:m/z	Relative Intensity
53.94371	6.6
54.96917	6.3
55.12754	6.1
63.30290	6.5
68.82922	8.4
69.07063	6.7
81.07070	12.5
95.08634	7.8
97.06520	89.3
105.62077	6.8
107.08618	6.5
109.06522	64.6
123.08077	6.9
131.01997	7.6
169.62990	7.8
188.85162	8.8
397.34573	100.0
397.38943	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42176	2.2
57.07078	31.7
61.75155	2.2
67.05510	3.2
69.07082	4.8
69.35469	2.4
71.08635	20.3
78.13353	2.2
79.05504	3.9
81.07066	5.5
83.08614	4.3
85.10201	11.5
87.08109	2.8
88.04044	2.6
90.81158	2.7
93.07037	6.2
96.04477	10.7
97.06508	3.1
107.08582	5.1
109.06485	3.6
109.10132	3.2
121.10130	3.9
123.11704	5.5
128.84416	2.7
149.13290	11.6
166.15910	68.5
177.09454	3.3
184.20645	4.7
186.22160	43.5
194.15570	3.5
212.16425	53.1
218.56601	3.1
277.82266	3.1
293.21301	2.8
338.72958	2.9
380.35422	32.7
397.19849	4.1
397.31442	13.3
397.37888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	2.9
66.85793	1.3
67.05518	1.9
69.07068	3.5
71.08629	2.1
73.82527	1.3
79.05495	2.3
81.07085	1.9
84.46898	1.6
85.10172	2.1
91.41330	1.5
93.07024	2.0
95.08623	2.5
102.20367	1.5
107.08600	3.5
109.10158	1.5
114.47243	1.4
121.06474	3.2
135.11705	8.5
152.14319	3.6
153.12746	2.7
198.14928	2.5
198.22206	12.9
200.23746	100.0
352.35776	16.3
379.29822	2.0
380.35229	17.5
397.37952	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22839	0.6
56.60378	0.5
90.74608	0.6
95.46593	0.6
104.21140	0.8
114.03445	2.3
160.03865	0.8
163.03893	3.7
172.03931	45.3
190.04994	100.0
191.03354	3.8
210.82310	0.7
233.56837	0.7
274.96082	0.7
292.06113	2.6
297.07645	0.9
309.06006	0.7
336.08731	4.7
366.06061	1.5
368.12021	0.9
369.12408	1.0
380.07626	47.5
398.08670	16.2
398.14655	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12846	0.3
59.45084	0.2
61.06306	0.3
64.52250	0.3
65.04375	0.3
67.05470	0.3
70.39111	0.3
101.49537	0.3
104.07131	0.4
107.51949	0.3
119.04892	0.3
133.65979	0.3
149.05980	1.1
153.07150	0.3
175.03989	1.0
177.01839	3.8
177.05444	1.8
190.05048	0.5
195.03030	0.4
207.02882	100.0
308.09186	0.4
315.09216	0.3
324.08887	0.5
336.08698	0.5
338.10156	1.7
352.08020	0.8
366.09915	0.5
367.10437	1.2
370.12991	0.6
380.11148	0.6
398.12344	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79350	0.7
63.96547	0.6
71.66130	0.6
105.53255	0.6
188.64861	0.7
235.06238	0.9
250.08498	1.3
263.05759	3.9
264.06696	0.8
265.07156	0.8
275.05600	0.9
276.06464	3.5
277.07379	0.9
278.08221	3.2
292.06039	28.9
293.06815	39.5
298.67697	0.8
306.07541	1.4
307.08453	3.3
308.05609	1.3
308.09250	3.1
315.70532	0.8
319.08261	1.1
320.05600	1.0
321.06323	16.5
334.07129	1.0
334.10666	4.8
336.08643	100.0
352.27704	0.8
365.29480	0.7
380.07632	47.1
398.08481	15.4
398.13190	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0867
Annotation	4-Keto-anhydrotetracycline
Peak:m/z	Relative Intensity
74.97453	0.9
77.22195	1.0
80.73141	1.0
118.53333	1.0
133.02924	1.3
165.05489	6.0
165.17342	1.2
190.04977	1.1
206.04488	65.1
225.08902	1.2
234.03963	16.8
261.87341	1.3
279.05450	1.4
280.06116	2.1
281.06772	1.3
292.06091	3.6
305.06903	2.6
306.07526	2.3
308.05511	7.4
309.06247	5.2
319.04697	4.0
319.08359	1.5
321.09772	1.2
324.04779	1.5
334.07028	6.8
336.05084	15.2
336.12112	1.9
337.05786	2.2
347.04153	2.6
362.06464	1.7
364.04599	4.5
365.05087	7.7
380.07587	100.0
398.08539	47.5
398.16965	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1231
Annotation	Narlumidine
Peak:m/z	Relative Intensity
61.11960	0.9
61.16853	1.0
67.05486	0.8
74.99060	1.0
87.74220	1.0
95.42959	0.9
97.10155	2.0
109.10121	1.5
112.07572	1.4
126.09940	1.5
126.62348	1.0
130.16557	1.0
151.07468	5.6
152.07819	1.6
165.09084	1.0
174.05446	4.5
175.07487	1.3
190.04980	1.7
190.08545	5.3
191.06964	1.3
213.04108	2.2
249.07750	5.7
274.09305	1.3
277.07233	2.0
292.09647	7.0
293.06912	1.2
294.07529	5.2
305.06866	7.7
306.07639	28.1
306.11533	1.7
307.08456	16.1
308.05478	4.3
322.07065	25.1
323.07901	31.5
324.08621	2.2
336.04788	6.0
336.09509	4.5
338.10251	62.1
338.14215	3.9
350.06476	4.2
352.08173	1.7
353.11096	1.7
354.11493	1.8
365.08749	1.3
366.09714	13.3
367.11032	5.4
368.12256	2.9
369.12589	2.1
375.10898	1.4
376.13223	1.2
380.11325	2.1
380.23901	1.1
382.10638	2.1
382.62271	1.5
383.11908	2.0
390.13046	1.5
390.63272	1.3
398.12131	100.0
398.21619	2.5
398.29117	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89401	2.0
69.03434	1.8
92.21513	3.9
107.12444	1.9
163.43323	2.0
174.05574	7.2
192.06581	30.0
204.19980	2.1
206.04611	1.9
220.06085	4.1
234.03987	2.9
280.06091	2.9
292.06067	3.3
294.07733	3.1
306.41028	2.1
308.05612	10.4
320.09235	4.9
321.09964	2.6
322.07254	17.6
322.11053	3.2
323.08127	9.2
324.09174	2.2
324.13318	2.4
337.09253	2.4
338.10519	2.9
348.08478	2.7
350.06412	16.4
351.07419	13.7
365.09006	4.9
366.09769	100.0
368.09030	2.1
380.11432	22.6
398.12439	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14275	1.1
53.87346	1.2
62.10788	1.6
63.88168	1.4
68.93378	1.3
80.02769	1.4
80.09767	1.5
104.07205	1.5
129.76953	1.5
145.96541	1.6
149.05997	2.9
174.05472	3.4
192.06535	27.5
207.06526	100.0
207.08478	3.4
336.05057	1.8
338.10104	2.3
351.07230	3.7
366.09772	23.8
398.12256	25.5
407.81323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1235
Annotation	Narlumidine
Peak:m/z	Relative Intensity
53.46740	1.1
54.31083	1.3
75.86912	1.7
78.37778	1.3
81.07085	1.9
86.16359	1.4
174.05539	8.2
192.06584	15.7
207.02992	12.0
207.06514	41.3
271.69199	1.6
322.06970	3.3
336.05057	2.0
338.06686	5.7
338.10300	2.8
351.07431	5.8
352.08148	88.6
353.08948	10.1
366.09753	46.3
367.10461	39.2
368.11398	2.5
398.12360	100.0
416.29004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.123
Annotation	Narlumidine
Peak:m/z	Relative Intensity
51.67154	1.0
52.41933	0.9
57.12646	1.4
58.36299	1.0
59.32784	1.0
60.67296	1.0
141.22980	1.3
143.38547	1.3
154.54167	1.2
165.05473	5.3
166.24533	1.2
187.73091	1.3
188.07053	10.7
189.42079	1.2
200.14838	1.7
206.08118	44.1
206.09901	2.1
234.07506	1.7
278.08276	3.0
280.09421	1.5
292.09869	1.4
306.07657	5.4
319.08350	7.7
319.82108	1.8
320.09183	1.9
322.07098	9.3
323.09064	1.5
334.10593	9.9
336.08655	17.4
347.08002	3.1
350.06509	11.9
362.10184	1.8
364.08078	9.2
365.08807	16.5
380.11310	100.0
398.12363	79.1
398.16595	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1235
Annotation	Narlumidine
Peak:m/z	Relative Intensity
56.03490	0.3
57.03431	1.4
61.02918	0.5
62.79642	0.3
69.03423	0.7
69.07063	0.7
73.02914	3.8
81.07106	0.4
85.02904	5.0
89.06027	0.7
93.07053	0.4
97.02900	4.3
109.02844	0.3
115.03915	2.2
127.03909	2.1
137.09662	0.7
145.04944	3.3
163.06030	2.2
163.97513	0.4
167.06970	0.3
183.10143	0.5
190.08635	0.8
201.11211	1.4
206.08110	0.4
209.04414	0.8
219.12125	0.6
253.07286	3.5
254.08191	0.6
255.08885	1.4
259.08231	0.5
268.06274	0.4
270.07559	0.5
281.06894	2.5
281.10251	0.3
282.11243	1.7
286.07245	2.5
294.07782	0.5
295.10236	1.6
310.10681	1.8
312.08536	0.7
336.12491	0.7
352.11725	0.7
354.13358	4.4
380.11313	13.0
398.12314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1234
Annotation	Narlumidine
Peak:m/z	Relative Intensity
51.06749	0.4
53.03951	2.4
55.26602	0.5
67.60126	0.5
69.03426	1.2
81.03426	5.0
85.02916	5.3
91.05415	0.8
93.07056	1.0
97.02892	3.1
99.04453	40.4
103.05447	0.7
107.04991	1.1
109.02893	0.9
121.06503	51.6
122.06015	2.0
127.03954	1.1
137.02296	1.0
138.09151	12.0
145.04965	0.6
162.05531	5.6
244.09856	0.6
272.09152	3.5
288.08713	1.3
294.07513	0.7
300.08670	6.2
308.08759	1.1
312.08450	0.6
314.91306	0.5
322.10733	4.5
323.11267	0.8
352.11801	10.0
380.16931	3.7
398.12283	100.0
398.17929	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06749	0.4
53.03951	2.4
55.26602	0.5
67.60126	0.5
69.03426	1.2
81.03426	5.0
85.02916	5.3
91.05415	0.8
93.07056	1.0
97.02892	3.1
99.04453	40.4
103.05447	0.7
107.04991	1.1
109.02893	0.9
121.06503	51.6
122.06015	2.0
127.03954	1.1
137.02296	1.0
138.09151	12.0
145.04965	0.6
162.05531	5.6
244.09856	0.6
272.09152	3.5
288.08713	1.3
294.07513	0.7
300.08670	6.2
308.08759	1.1
312.08450	0.6
314.91306	0.5
322.10733	4.5
323.11267	0.8
352.11801	10.0
380.16931	3.7
398.12283	100.0
398.17929	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03490	0.3
57.03431	1.4
61.02918	0.5
62.79642	0.3
69.03423	0.7
69.07063	0.7
73.02914	3.8
81.07106	0.4
85.02904	5.0
89.06027	0.7
93.07053	0.4
97.02900	4.3
109.02844	0.3
115.03915	2.2
127.03909	2.1
137.09662	0.7
145.04944	3.3
163.06030	2.2
163.97513	0.4
167.06970	0.3
183.10143	0.5
190.08635	0.8
201.11211	1.4
206.08110	0.4
209.04414	0.8
219.12125	0.6
253.07286	3.5
254.08191	0.6
255.08885	1.4
259.08231	0.5
268.06274	0.4
270.07559	0.5
281.06894	2.5
281.10251	0.3
282.11243	1.7
286.07245	2.5
294.07782	0.5
295.10236	1.6
310.10681	1.8
312.08536	0.7
336.12491	0.7
352.11725	0.7
354.13358	4.4
380.11313	13.0
398.12314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14428	0.3
66.19862	0.3
67.05487	0.3
81.07073	0.6
86.06084	1.9
87.04488	1.4
91.05486	1.2
93.07069	0.6
103.90014	0.3
104.07124	1.6
105.07066	0.4
107.08575	0.5
109.10107	0.3
119.04946	0.4
121.10258	0.3
129.15646	0.3
135.04445	1.3
149.05991	3.0
163.07576	0.6
174.05524	1.4
175.03903	3.2
176.04742	0.6
177.01820	0.4
177.05446	3.2
190.04984	0.6
191.07094	1.6
207.02896	9.9
207.06578	0.5
254.38747	0.3
308.09100	0.6
324.08582	3.1
336.08746	0.5
337.09622	0.5
338.10150	5.1
339.11221	2.2
340.13336	0.4
350.06564	0.4
352.08276	3.6
365.08951	0.6
366.09882	1.9
367.10526	3.5
368.12894	1.3
370.13870	4.9
380.11502	1.7
383.11438	1.4
398.13773	100.0
416.21585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40581	0.7
64.24293	0.6
69.03431	0.8
85.02932	0.8
91.05472	1.0
91.62907	0.6
93.07031	1.9
99.04459	7.3
103.05488	3.4
120.08102	100.0
121.06503	72.4
131.04941	3.3
132.08064	1.4
136.06181	3.0
139.57976	0.8
149.06017	4.5
150.09125	5.8
151.07610	0.7
153.05469	0.9
157.66750	0.8
164.07100	6.2
164.08333	0.7
166.08627	50.8
166.93263	0.7
178.08646	4.3
180.10211	0.7
190.91754	0.8
218.08139	1.8
218.11728	0.9
236.09128	1.7
236.11383	3.1
253.50105	0.8
260.11365	1.5
278.12418	5.7
280.09875	1.0
282.13336	3.7
296.11328	1.6
300.14395	1.7
302.14047	1.5
317.59378	1.1
338.11456	0.8
394.21915	0.8
398.18140	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09083	0.6
56.24225	0.7
58.06615	0.8
60.49227	0.6
69.03441	1.6
71.04984	3.2
71.51440	0.7
75.62415	0.7
80.07616	0.8
80.61300	0.9
80.68454	0.8
81.03434	3.2
85.02897	6.2
89.06036	12.7
93.07047	4.2
95.04982	0.8
97.02863	5.6
98.06043	0.9
99.04474	8.8
103.05462	0.8
107.04968	5.8
108.04475	1.3
108.83797	0.8
109.02880	3.3
110.29828	0.8
113.42511	0.7
121.06507	100.0
122.06042	11.1
126.05528	3.1
127.03909	3.8
144.06555	1.8
145.04970	3.9
148.07556	1.2
150.09077	1.1
162.07651	1.0
171.06580	0.7
172.07558	1.2
176.06993	1.0
188.07088	4.1
198.36328	0.8
216.10429	1.0
218.08142	1.9
228.10156	1.1
235.36960	0.8
236.09111	8.8
246.11255	3.7
264.12323	1.8
279.10812	4.3
282.13440	5.4
284.52975	0.9
311.74756	0.8
362.15894	8.4
380.17038	21.0
398.13843	2.9
398.18155	29.7
398.21860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
60.11585	0.3
81.03400	0.9
85.02898	0.9
91.05447	1.4
93.07056	3.6
97.02872	2.1
99.04444	5.2
103.05470	1.8
107.04956	3.8
108.04498	4.1
121.06500	100.0
122.06010	6.2
125.04716	0.9
125.77939	0.4
126.05518	3.8
127.03928	0.5
140.07014	0.5
144.06558	2.7
148.07652	1.6
150.09161	1.8
162.07610	1.9
180.10201	0.4
193.88620	0.4
228.10262	0.5
246.11252	2.7
249.16689	0.4
264.12271	2.8
282.13364	3.7
362.15930	6.0
380.17023	31.9
398.18051	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51707	0.4
59.86660	0.5
67.66320	0.5
71.04993	0.5
79.97540	0.5
81.03411	1.1
84.04518	0.5
84.25218	0.6
85.02918	2.1
86.09737	0.5
87.04456	0.6
89.02393	0.6
93.07050	3.5
97.02915	3.8
99.04453	5.9
103.05450	0.9
104.49508	0.5
107.04978	2.9
108.04472	3.2
121.06505	100.0
122.06053	5.8
126.05531	4.3
127.03894	1.0
144.06573	3.3
148.07541	2.6
150.09138	2.6
162.07646	2.2
164.07024	0.8
182.23892	0.5
192.10481	0.5
237.09596	0.8
246.06221	0.5
246.11249	4.2
261.06046	0.7
264.12210	2.1
265.08887	0.7
282.10211	0.7
282.13217	3.7
307.20422	0.5
362.15933	6.4
380.17059	28.0
398.08649	1.0
398.13318	2.9
398.18127	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
64.11253	0.9
67.74916	0.8
70.06597	1.6
70.08331	0.8
72.44685	0.8
73.02915	1.0
79.24947	0.9
83.04966	2.2
85.02916	3.8
89.06052	1.0
93.07032	4.9
99.04454	14.1
100.04786	1.8
101.02428	1.7
103.05502	1.4
109.02877	1.1
120.08112	5.9
121.06506	100.0
123.72145	0.9
127.03919	1.9
131.55988	0.9
140.07030	1.0
147.05827	1.7
150.09123	8.2
153.05487	3.6
162.07613	1.9
163.04095	0.9
164.07024	4.1
166.08586	1.5
178.08597	2.1
182.08067	1.3
236.12854	6.1
260.11124	1.7
264.12231	1.2
268.07840	1.6
278.12387	5.5
282.13321	9.6
283.10693	1.8
296.11417	1.3
300.14502	2.1
302.13968	1.1
354.14874	1.2
398.13831	6.8
398.18143	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69109	0.4
66.72538	0.4
71.63766	0.4
72.63726	0.5
85.02914	0.7
91.05465	0.5
93.07064	3.8
97.02893	2.4
98.06088	0.6
99.04456	3.7
103.05448	1.0
107.04944	2.7
108.04468	2.6
121.06501	100.0
122.06029	7.1
125.04707	0.7
126.05513	4.7
140.47041	0.5
144.06546	0.8
146.43173	0.6
147.01942	0.5
148.07571	3.0
150.09138	1.2
162.07611	1.0
188.06989	0.8
228.10274	0.6
246.11221	5.0
257.63831	0.5
264.12296	2.7
282.13382	4.9
289.21317	0.6
362.15924	9.0
380.17020	27.3
398.18082	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
59.20490	0.5
63.50782	0.6
67.57027	0.5
69.03445	0.6
72.04513	0.6
73.09525	0.6
81.03407	1.3
84.04439	0.6
85.02930	0.6
89.13728	0.7
93.07050	3.1
96.04475	3.7
97.02904	1.3
98.06023	0.8
99.04444	12.5
99.05011	0.9
103.05444	1.5
107.04985	1.5
107.81846	0.6
121.06497	100.0
126.05495	2.6
131.68462	0.7
138.09084	1.0
140.07103	2.9
144.06549	2.9
148.07590	0.8
150.09126	6.2
162.05484	3.8
162.07700	0.6
216.10168	0.6
246.11157	1.5
264.12326	3.2
282.13275	3.9
284.34836	0.6
300.08649	8.2
311.83066	0.8
366.11368	1.3
380.17026	42.2
387.42587	0.7
398.12549	4.7
398.18048	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.0
58.06600	4.7
64.71783	4.0
69.03429	73.6
69.07079	4.7
72.14778	4.2
85.02901	64.7
85.65825	4.0
87.04466	77.3
93.07052	5.0
97.02888	80.5
97.06486	4.2
107.49899	4.4
109.83172	4.3
111.08054	6.1
115.03937	100.0
119.08514	4.6
125.04520	4.3
127.03895	7.2
133.04964	82.9
139.95421	4.4
145.04973	24.2
150.07678	7.7
163.82071	4.2
165.09032	5.5
183.10078	5.9
201.11269	7.4
202.97873	4.5
210.55276	4.5
213.11243	4.8
219.12315	8.4
221.08600	4.9
225.07907	4.5
237.97504	5.6
259.07956	5.2
260.25037	4.2
284.05304	4.9
295.10397	7.1
322.10901	4.8
323.11389	5.8
380.11331	20.4
398.07764	11.4
398.11746	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	16.8
60.04529	2.9
61.02932	2.4
67.21608	2.2
69.03431	76.7
69.07063	5.0
81.03445	2.8
81.07072	4.8
85.02910	59.0
85.06529	4.1
87.04466	74.5
93.07072	4.2
97.02892	69.8
99.04467	3.3
106.61221	2.5
107.08605	3.0
111.08077	5.9
115.03931	100.0
119.08596	2.5
123.08085	2.7
124.47979	2.5
127.03912	14.0
133.04965	87.6
135.07959	2.4
145.04967	19.2
147.08058	2.8
150.07607	13.2
153.09052	4.6
161.12570	2.4
163.06006	9.2
165.09140	6.2
183.10164	9.9
201.11278	12.4
219.12270	14.6
241.07127	3.9
259.08072	5.9
291.14038	2.7
295.10196	9.5
398.12112	46.3
398.16574	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	0.8
57.07075	3.6
64.85373	0.9
67.05499	0.8
67.15392	0.7
69.07069	1.5
69.47643	0.7
70.06611	6.3
71.08648	1.1
81.07055	1.3
81.10568	0.8
83.08611	1.5
87.04416	1.0
88.07634	18.6
95.08570	0.9
102.09178	14.2
104.07106	1.1
107.08658	1.1
132.10179	1.2
146.11815	1.6
148.84882	0.8
150.11185	1.7
154.12230	1.4
154.24387	0.8
182.76282	0.8
256.26340	82.0
258.06271	0.9
300.28934	14.9
318.30026	100.0
338.25577	0.9
356.26550	7.7
398.12048	1.2
398.25714	58.2
398.31912	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2664
Annotation	phytosphingosine 1-phosphate
Peak:m/z	Relative Intensity
55.05514	1.4
56.05031	4.6
57.03448	1.1
57.07076	4.6
60.04531	100.0
63.77618	0.9
67.05502	2.5
69.07076	2.1
74.06074	7.1
81.07072	4.7
83.08627	1.8
86.06081	1.2
93.07046	1.4
95.08608	4.4
97.10181	2.0
109.10187	1.9
114.13506	1.0
121.42338	1.0
125.40800	1.0
140.01102	1.4
141.28397	1.0
203.01375	1.1
264.26871	4.5
282.27896	4.6
300.28946	54.3
398.08496	1.6
398.26666	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2687
Annotation	Merresectine C
Peak:m/z	Relative Intensity
57.07064	1.8
69.43849	0.7
70.10955	0.7
72.04519	47.9
73.66911	0.7
79.05510	0.8
97.97469	0.9
100.26442	0.6
119.08560	1.0
135.04391	0.8
137.09630	1.1
149.13275	0.9
161.09651	1.0
163.39943	0.7
166.08643	4.9
170.94962	0.7
177.01785	0.7
177.09138	6.8
177.12744	26.9
178.08630	5.9
189.09134	9.8
191.10658	10.9
205.24352	0.8
222.14883	35.2
234.14890	34.4
241.08612	1.6
260.92459	0.7
264.85849	0.8
286.14365	5.7
297.14847	11.4
297.40039	0.7
342.20599	11.2
353.20972	6.2
353.24771	1.1
385.59058	0.8
398.26880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30642	1.2
54.39779	1.1
55.05520	1.6
58.32739	1.2
60.82705	1.4
67.05507	9.3
67.88992	1.2
68.46309	1.3
69.07062	2.4
77.45026	1.4
79.05502	2.8
81.07072	14.5
81.07476	1.5
83.08607	1.8
86.06049	1.3
93.07029	10.4
95.06045	1.3
95.08614	9.4
103.05466	1.6
105.07045	1.5
107.08614	6.4
109.10170	5.3
119.08603	2.0
121.06506	100.0
121.10133	3.2
133.10136	1.5
135.11691	3.0
136.07599	3.0
138.09154	19.2
149.02403	1.6
149.13361	1.5
157.53061	1.4
162.72659	1.5
184.04465	2.7
252.05952	1.3
256.36838	1.2
261.22211	2.6
270.20477	1.9
316.58951	2.0
398.30655	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12572	0.3
52.82866	0.3
55.05508	1.5
57.07053	0.5
60.60269	0.3
67.05511	7.6
69.07056	1.6
79.05500	2.2
81.07060	8.6
83.08597	0.8
86.06028	0.4
88.40823	0.3
88.51603	0.4
91.05496	2.1
93.07030	5.5
95.04941	0.6
95.07639	0.4
95.08605	8.2
96.60114	0.4
97.06510	0.4
97.10139	0.4
98.05992	0.3
103.05447	0.7
104.12888	0.3
105.07040	0.8
107.08579	3.3
109.10163	3.2
113.78438	0.4
115.58052	0.4
119.08596	0.6
121.06497	100.0
121.10086	2.7
123.11665	0.6
130.24814	0.4
131.08536	1.7
135.11713	2.0
136.07553	3.2
138.09132	19.0
138.96068	0.4
161.13232	1.5
164.06999	0.6
173.13295	0.6
177.16370	0.6
206.05466	0.4
229.07474	0.4
234.14922	0.5
243.18900	0.4
243.21173	2.1
248.16409	0.7
261.22141	2.1
280.06491	0.5
348.27039	0.5
398.30527	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.305
Annotation	Sempervirone
Peak:m/z	Relative Intensity
51.73132	0.6
51.88723	0.6
53.55225	0.5
55.05514	1.1
67.05509	7.0
69.07074	1.5
79.05496	1.5
81.07065	8.0
83.08624	1.1
84.08138	0.7
86.06056	0.9
91.05494	1.1
93.07042	7.8
95.04961	0.9
95.08602	8.2
103.05465	1.2
105.07047	0.9
107.08592	3.6
109.10155	3.4
113.51961	0.7
114.88068	0.7
119.08563	0.8
121.06509	100.0
121.10114	1.1
123.11761	0.9
133.10146	0.7
134.37973	0.6
135.11630	0.7
136.07594	1.3
138.09154	19.2
145.10176	0.8
149.13214	0.8
180.62831	0.6
224.96188	0.7
261.22379	1.0
398.30618	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00029	10.6
60.04537	12.1
61.02952	11.6
63.05069	10.5
63.74849	12.5
78.46459	10.2
86.23388	12.2
113.23708	12.2
176.09190	19.3
218.04289	22.6
245.05077	80.5
246.03650	19.4
270.03812	60.6
272.01682	66.4
285.97467	13.0
288.04874	21.8
290.02881	18.4
297.00995	16.7
316.00613	22.1
334.01489	25.4
334.05136	19.8
351.56201	14.8
352.90628	16.1
376.06458	100.0
399.09732	55.4
409.25970	15.7
421.68463	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98465	1.6
51.00484	1.9
62.84800	1.6
67.40985	1.5
68.72949	2.1
82.48239	2.2
82.64826	1.8
109.52638	1.9
115.66402	2.0
128.21359	2.0
134.74544	1.8
140.88194	2.1
148.93277	2.1
154.65657	1.9
220.38857	1.9
222.36617	2.5
236.15059	2.7
237.15312	7.9
399.06906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75192	0.5
60.36671	0.5
81.07042	0.7
87.10049	0.7
105.07082	0.7
107.08540	0.6
108.58521	0.6
177.65939	0.6
206.08105	1.2
221.59404	0.6
236.02472	0.6
277.09570	0.8
306.07504	2.3
307.08356	7.4
307.11392	0.9
309.06821	1.2
310.07568	1.3
335.11423	1.0
338.07181	36.9
341.05780	1.0
354.06409	1.0
355.07455	4.8
366.06622	32.5
369.05273	2.6
381.11490	8.0
383.02444	1.1
383.06946	16.1
384.07706	14.3
399.09982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1077
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
75.37619	1.2
92.20978	1.8
123.13831	1.4
167.07036	1.5
169.89890	1.3
191.08580	1.2
213.55919	1.6
219.08005	1.9
223.07599	1.4
234.06712	2.2
235.07414	2.3
247.07597	2.1
248.08522	1.3
250.06267	2.2
251.07051	1.6
261.08832	1.6
263.07050	1.8
264.07809	1.6
265.08432	1.6
270.61508	1.3
275.06934	2.4
277.08603	2.2
278.05511	2.0
279.06497	2.1
280.07428	1.8
281.08075	5.2
292.07178	2.3
293.08121	8.6
295.05920	1.4
296.06836	2.1
297.07373	1.8
307.09567	1.5
308.06757	5.5
309.07513	7.4
311.09085	2.9
321.07523	36.9
322.08353	2.4
323.09137	7.6
324.06219	2.4
337.06985	5.5
338.07785	2.3
339.08698	7.7
399.10617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44275	1.1
57.03445	1.8
58.06599	1.5
58.30052	1.2
61.02930	1.8
69.03442	3.1
70.06580	3.0
71.05012	1.4
71.55579	1.1
85.02920	13.1
86.09745	1.5
87.04468	1.3
97.02891	2.6
99.04455	1.7
103.05474	12.8
127.03918	5.0
131.04938	47.7
148.05191	3.2
161.05939	2.0
163.07527	24.0
210.92160	1.4
217.83553	1.5
224.07039	9.4
237.11249	5.8
269.09155	5.3
296.05588	52.5
309.09222	2.6
309.12369	14.5
337.11969	1.9
339.07944	8.8
340.08658	11.7
355.13037	100.0
381.11188	2.2
399.11984	61.5
399.16898	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1185
Annotation	Ovalene
Peak:m/z	Relative Intensity
50.68994	0.6
58.70269	0.5
62.18074	0.6
97.02860	0.7
99.04490	1.6
121.06499	15.2
122.06830	11.5
135.05551	5.2
143.83641	0.7
153.06596	4.3
175.07526	0.7
224.07021	13.5
226.08710	2.7
242.08157	0.8
244.29156	0.8
247.11748	0.8
254.08156	5.2
269.09171	5.3
270.07715	0.7
274.39395	0.7
293.12744	1.1
296.05515	71.7
337.11755	11.7
340.11240	1.4
353.11462	1.4
355.12836	100.0
381.10922	1.2
381.17358	9.4
399.11856	77.5
399.17767	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39531	0.6
59.98194	0.8
62.44673	0.6
85.02882	0.8
85.06544	2.3
88.10093	0.6
89.06023	4.6
89.76181	0.8
97.02845	0.9
99.04433	2.6
101.05984	1.5
105.49526	0.6
121.06532	1.3
139.03656	0.9
156.33470	0.8
171.00504	0.7
221.05801	0.8
283.07788	2.7
335.09479	0.8
399.12576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04391	0.7
66.62267	0.7
87.00215	0.8
130.29036	0.8
173.13675	1.0
219.01820	0.9
381.11520	3.4
399.06900	4.0
399.12595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42037	0.5
53.03930	0.8
53.72131	0.6
55.01872	0.8
57.03444	4.6
61.02917	1.6
69.03428	7.4
69.26444	0.5
71.04977	0.6
73.02932	0.9
80.45074	0.5
81.03421	4.3
85.02905	22.4
89.06014	2.8
90.42410	0.6
97.02882	6.6
99.04456	3.0
102.04676	0.7
103.03951	2.5
103.05463	16.9
109.02869	4.1
117.05499	0.9
127.03929	6.8
130.04137	0.7
131.04921	100.0
133.06439	0.9
145.04982	1.4
148.05186	14.3
159.65857	0.6
161.05962	3.3
163.07530	49.3
167.56459	0.7
175.07475	0.6
195.65144	0.7
201.09119	2.5
219.10248	1.1
237.11266	8.4
355.12985	2.6
399.12579	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42037	0.5
53.03930	0.8
53.72131	0.6
55.01872	0.8
57.03444	4.6
61.02917	1.6
69.03428	7.4
69.26444	0.5
71.04977	0.6
73.02932	0.9
80.45074	0.5
81.03421	4.3
85.02905	22.4
89.06014	2.8
90.42410	0.6
97.02882	6.6
99.04456	3.0
102.04676	0.7
103.03951	2.5
103.05463	16.9
109.02869	4.1
117.05499	0.9
127.03929	6.8
130.04137	0.7
131.04921	100.0
133.06439	0.9
145.04982	1.4
148.05186	14.3
159.65857	0.6
161.05962	3.3
163.07530	49.3
167.56459	0.7
175.07475	0.6
195.65144	0.7
201.09119	2.5
219.10248	1.1
237.11266	8.4
355.12985	2.6
399.12579	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1437
Annotation	Hoslunddiol
Peak:m/z	Relative Intensity
55.05505	1.2
59.69697	1.2
65.01443	0.9
67.05542	1.6
81.07056	1.9
88.53283	1.3
91.05506	1.5
99.08183	1.5
107.08588	2.0
109.09197	1.2
109.10128	6.7
116.57407	1.4
119.08583	1.8
137.05937	2.3
138.06674	1.5
147.04355	2.0
154.48407	1.5
166.06215	1.6
174.05545	6.8
175.05823	6.0
175.07483	1.9
181.08595	26.5
190.06281	8.4
191.07042	6.8
203.07098	2.8
205.06903	1.6
205.08487	11.6
206.09393	6.8
231.06494	9.1
259.09851	1.6
268.62955	1.4
279.10364	1.7
291.10135	2.9
292.11246	1.7
293.07993	4.8
293.11398	1.5
294.07944	1.8
295.07922	2.2
306.08807	2.0
307.09995	9.9
308.08591	1.8
308.10397	1.5
309.06107	3.2
309.11185	1.8
317.08218	1.5
318.08914	1.8
319.05988	2.0
319.09491	2.2
321.07672	4.8
321.11142	3.0
322.07709	2.0
322.12085	7.8
323.07562	9.0
324.08264	2.0
325.10751	2.9
334.08228	1.8
335.09268	11.3
337.05411	6.0
337.10892	13.8
339.10495	14.5
349.10532	8.6
350.11786	2.2
351.07639	2.7
352.07654	19.9
352.11380	1.6
353.10196	32.4
353.14035	5.8
356.14697	1.6
366.10153	5.6
367.10016	94.5
368.12543	52.0
381.13321	28.8
384.11978	2.3
399.13620	100.0
399.23291	10.4
399.28616	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Hoslunddiol
Peak:m/z	Relative Intensity
55.25258	1.8
61.67071	2.0
69.07079	2.1
69.71529	1.9
70.39501	1.6
71.72158	1.8
82.86406	1.5
83.04963	1.5
93.07023	2.2
95.08672	2.3
109.06559	3.6
131.04895	4.1
143.04868	2.0
148.05193	3.4
166.06279	3.0
175.07503	4.4
177.05438	8.4
178.06277	2.5
179.07101	9.6
180.07394	4.7
181.08580	35.3
187.07468	2.4
190.06270	8.8
191.07014	10.1
194.09480	2.7
201.05493	3.1
203.06967	2.8
205.04933	9.9
205.08618	18.5
206.09413	4.5
231.06700	2.7
265.08539	2.6
279.10074	3.0
291.06543	2.7
291.10114	8.1
303.06357	2.0
304.01694	2.3
305.08017	8.4
306.08804	2.5
307.09799	19.9
308.10226	3.7
309.11087	2.4
321.07712	9.1
321.11282	8.3
322.11990	12.9
323.09274	5.9
323.12769	7.6
325.10794	4.6
334.08234	2.5
335.08978	11.6
337.10678	21.3
349.10651	11.0
350.11420	8.0
351.08502	4.1
353.10172	42.6
353.13928	6.0
366.10959	2.3
368.12531	64.4
381.13223	34.2
384.12204	2.6
399.14340	100.0
399.21851	2.9
399.32355	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11319	1.3
78.55769	1.5
89.03912	2.5
91.05479	6.9
106.04179	3.4
107.04935	2.3
107.32165	2.0
117.03365	9.9
117.81434	1.5
117.82339	2.1
119.04909	2.9
121.06491	6.6
134.03648	4.0
135.04445	2.7
137.06000	3.4
145.02812	12.8
147.04385	3.7
148.05162	2.4
149.05980	14.2
151.07527	9.8
162.03114	13.2
162.06796	7.2
163.03893	22.1
163.07545	2.2
166.06279	26.1
167.07001	3.6
177.05467	39.3
178.06245	74.2
179.07016	29.2
181.08572	16.3
190.02585	10.0
193.08592	11.3
194.09384	17.5
205.03001	3.3
205.04955	100.0
206.04507	15.3
207.04822	20.4
209.08075	32.2
234.04033	4.3
235.04271	3.2
263.07040	2.5
264.07928	2.7
289.08569	2.7
293.08011	2.2
309.74026	1.9
320.05127	2.3
321.11160	4.2
334.10815	2.7
337.05338	7.3
339.12204	3.3
363.06903	2.5
366.05582	2.2
367.11719	3.3
381.08005	56.4
381.12802	2.5
390.86298	1.9
399.08963	26.0
399.14218	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1436
Annotation	Hoslunddiol
Peak:m/z	Relative Intensity
58.54216	1.7
62.91643	1.4
82.20247	1.8
90.31083	1.7
91.05473	2.7
92.20921	2.4
103.91721	1.8
106.04187	2.1
117.03399	6.9
119.04966	2.3
121.06437	3.6
129.19588	1.9
131.04945	3.8
134.03642	2.7
135.04416	2.0
137.05969	2.7
138.06706	2.1
145.02846	11.5
148.05228	7.6
149.05943	3.1
151.07541	11.5
153.09103	2.7
162.03137	11.9
163.03947	4.1
165.05556	2.1
166.06291	11.4
175.07487	1.8
177.05446	31.0
178.06250	23.5
179.07051	28.4
181.08589	55.0
186.14835	2.0
190.02658	8.8
190.06288	9.8
191.07059	4.2
194.09358	18.1
201.05368	2.0
203.07030	2.0
205.04961	74.4
205.08655	10.1
209.08057	22.4
231.06516	2.9
265.08737	2.4
266.70740	1.8
277.08676	3.3
279.10126	3.5
291.06686	2.5
291.10208	2.8
293.08081	3.1
303.02466	2.0
305.08093	1.9
306.08932	2.1
307.09769	13.2
308.10391	3.2
309.07513	2.0
309.11066	2.9
319.08371	3.5
321.07526	4.0
321.11185	3.3
322.12079	8.7
323.09122	4.2
323.12640	3.2
325.10562	4.0
334.11044	20.7
335.09152	11.3
337.10703	14.5
343.38358	1.8
349.10876	3.9
351.08655	7.8
353.10187	33.7
353.14011	4.5
366.11072	2.2
367.11737	2.3
368.12561	42.6
381.13144	22.7
384.11761	3.9
399.14349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	Terrestrol A
Peak:m/z	Relative Intensity
50.35324	2.0
53.94787	2.5
56.10765	3.0
62.21674	2.5
62.41285	2.9
65.96545	2.8
79.05508	3.4
82.58936	3.4
107.04984	4.8
115.05415	4.0
129.07013	16.2
136.07664	3.1
143.04950	6.1
157.06516	7.3
160.05176	4.5
167.07030	100.0
173.06038	3.4
174.96735	2.9
175.67390	3.2
185.06027	3.5
185.31917	3.1
191.07039	6.5
203.06982	17.1
205.04904	4.7
207.08044	5.5
219.08012	7.3
231.08109	4.6
233.09590	4.3
234.06740	4.0
235.07516	21.1
236.08505	4.9
245.08043	5.1
246.06766	6.7
247.07445	13.1
249.09232	5.5
251.10847	4.6
259.07504	3.4
260.08258	7.8
261.09103	4.6
263.07098	13.6
264.07819	16.3
265.08438	4.4
277.08481	6.9
279.10107	5.6
280.07312	4.6
289.08997	3.2
291.06534	4.1
292.07321	3.3
293.08154	5.2
295.09604	7.4
297.11600	4.2
306.09006	5.2
307.09595	12.6
309.07437	4.7
309.11172	3.6
318.07916	4.1
323.09085	23.1
325.10715	7.5
334.11194	5.0
337.10663	6.0
339.12219	11.9
341.10181	5.0
349.10944	7.3
355.11694	11.6
357.13306	39.6
367.11862	5.4
371.14856	20.0
381.13397	26.4
399.14410	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59589	0.9
55.22363	1.1
57.03432	6.0
58.28953	0.9
61.02926	1.2
67.46649	0.9
69.03451	7.6
73.02927	1.0
81.03424	1.5
85.02907	23.1
97.02894	6.6
101.77749	1.0
102.19608	1.0
103.03951	2.0
103.05469	22.6
109.02958	1.0
127.03907	4.7
131.04935	100.0
145.04993	2.2
148.05206	11.9
152.39978	1.1
161.05992	4.6
163.07542	47.2
163.08879	2.1
191.44354	1.0
224.07152	1.1
234.39929	1.0
237.11192	7.9
296.05545	6.5
354.13556	1.0
355.12939	11.8
399.11798	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59589	0.9
55.22363	1.1
57.03432	6.0
58.28953	0.9
61.02926	1.2
67.46649	0.9
69.03451	7.6
73.02927	1.0
81.03424	1.5
85.02907	23.1
97.02894	6.6
101.77749	1.0
102.19608	1.0
103.03951	2.0
103.05469	22.6
109.02958	1.0
127.03907	4.7
131.04935	100.0
145.04993	2.2
148.05206	11.9
152.39978	1.1
161.05992	4.6
163.07542	47.2
163.08879	2.1
191.44354	1.0
224.07152	1.1
234.39929	1.0
237.11192	7.9
296.05545	6.5
354.13556	1.0
355.12939	11.8
399.11798	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79946	1.1
53.03958	2.2
54.11471	1.1
55.75201	1.0
62.33801	1.1
67.44487	1.2
69.03416	2.4
70.06575	7.4
71.04940	1.6
74.93389	1.4
81.03419	10.4
84.08142	2.4
85.02901	13.8
86.09705	2.9
97.02893	3.2
99.04448	100.0
109.02893	1.6
117.05504	9.7
121.06520	2.5
158.63789	1.4
187.07494	2.3
205.08575	1.9
261.09534	1.9
346.28442	1.5
399.12488	8.0
399.16580	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
57.03437	4.6
58.07818	0.7
61.02909	1.3
69.03423	7.9
75.04506	0.8
81.03419	3.4
85.02435	1.3
85.02910	23.0
87.04494	1.2
97.02892	6.7
99.04443	1.5
103.03959	4.5
103.05466	18.9
109.02898	2.1
121.80557	0.9
127.03902	5.4
131.04926	100.0
135.05571	1.3
145.04936	1.0
148.05196	14.9
160.96869	0.8
161.05969	4.5
162.06654	1.1
163.07533	46.2
196.04260	1.0
201.09172	1.6
203.98013	0.9
237.11316	7.3
251.82062	0.9
296.05460	8.6
306.78555	0.9
346.99072	1.1
355.12946	8.4
399.07007	1.6
399.11835	7.3
399.16885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01872	0.7
55.08929	0.5
57.03443	6.3
58.06599	1.1
61.02915	3.2
69.03423	6.7
73.02913	1.2
75.04485	0.9
81.03410	3.6
85.02904	20.1
86.57545	0.5
87.04470	1.0
87.43819	0.5
97.02904	7.3
99.04409	1.0
103.03957	3.1
103.05461	20.6
109.02857	3.0
112.83848	0.5
117.05430	0.6
127.03873	5.4
130.04099	0.5
131.04919	100.0
133.06467	1.0
145.04936	2.7
148.05177	12.4
161.05988	4.5
162.06805	0.7
163.07523	46.9
171.48065	0.5
175.07454	0.9
200.16156	0.5
201.09099	1.1
219.10284	0.7
237.11261	6.9
249.38751	0.7
399.11224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94274	5.2
55.86631	4.5
64.54585	4.7
71.80382	5.4
76.76149	5.1
77.72260	6.0
84.45290	5.3
91.94972	5.6
112.94167	6.4
158.08073	11.1
167.88046	7.0
171.37279	7.3
176.09206	47.8
188.09154	39.4
195.11407	6.1
202.10675	8.0
243.20949	6.5
352.43405	6.1
399.19620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2503
Annotation	Tris(butoxyethyl)phosphate
Peak:m/z	Relative Intensity
50.21490	0.7
57.05230	0.9
67.05498	1.5
69.07055	2.1
71.36877	0.9
81.07059	2.5
85.06550	1.5
93.07018	1.7
95.08614	5.3
105.07034	1.4
107.08598	1.4
109.10184	1.5
119.08561	1.4
121.10157	1.6
121.13565	1.1
125.09689	1.0
133.10078	1.8
133.78165	1.0
135.76378	1.0
145.10107	2.3
158.21927	1.1
204.92076	1.1
295.30121	1.2
381.31702	1.2
390.12296	1.1
399.24979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27258	2.6
55.05503	3.7
67.05504	16.8
69.07063	20.2
71.08636	45.4
79.05489	4.5
81.07066	50.4
82.16808	2.9
83.08610	10.9
85.06548	17.8
91.05475	5.5
93.07067	6.0
95.04914	3.2
95.08609	44.8
97.06519	12.9
99.08092	65.4
105.07030	15.0
105.28210	3.1
107.08593	10.6
109.10166	11.6
111.08125	5.7
119.08586	6.8
121.10159	10.2
123.11698	5.6
133.10104	4.8
135.11717	3.5
147.11691	25.9
149.13235	12.2
165.12740	11.5
171.13800	100.0
183.13849	25.1
199.98723	2.5
201.14836	58.5
225.18462	12.7
231.15889	18.6
243.19331	2.8
267.19559	12.1
288.56549	2.8
321.24182	4.3
327.21823	5.4
341.32288	2.8
350.44110	2.7
353.26828	39.0
363.25415	4.0
390.87515	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.5
57.07085	14.7
67.05521	27.8
69.07066	82.2
71.04962	9.4
71.08626	38.1
76.07645	15.1
81.07080	64.7
82.49325	8.7
83.08614	42.3
85.06538	10.1
87.08112	15.0
91.05448	8.3
92.20789	9.2
93.07045	12.3
95.08596	52.0
97.06500	12.2
99.04443	11.2
99.08096	32.2
107.08655	10.4
110.34420	8.6
111.08089	10.5
121.10147	8.2
123.08077	9.4
123.11663	10.9
129.09164	11.5
135.11678	15.0
147.11678	12.4
149.13289	12.8
157.08522	14.0
171.13788	100.0
183.13799	13.3
201.14859	48.8
209.17001	9.4
225.18590	10.9
265.18042	16.0
267.19501	14.6
272.91049	10.5
353.26767	90.6
399.25211	44.6
423.61639	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
55.10648	0.7
57.03453	0.7
57.07074	1.1
60.11530	0.7
66.77287	0.6
67.05517	5.5
68.98322	0.7
69.07067	7.4
71.05000	0.9
79.05495	3.2
81.07072	11.6
83.08625	9.6
84.08123	0.9
85.06522	0.8
93.07061	6.8
95.08599	3.2
97.06530	3.0
97.10191	4.5
100.07614	1.8
105.07024	0.9
107.08614	9.0
109.06543	1.7
109.10168	3.4
111.08079	3.8
114.09161	1.6
121.10143	5.7
123.11700	1.0
124.11201	4.0
125.09618	7.3
135.08054	4.2
135.11688	4.6
142.12277	1.9
149.09694	0.8
149.13257	15.1
152.10760	0.9
152.14290	1.6
153.09113	4.4
159.11720	3.1
166.15907	25.1
167.14299	8.7
169.13359	1.0
170.11749	23.0
177.12749	1.7
183.14984	0.8
184.13374	5.4
184.16936	6.9
194.15434	3.6
195.13742	1.6
198.14891	17.0
211.18089	8.1
212.16454	100.0
213.14880	1.4
215.17589	3.4
229.19124	19.9
320.09283	1.3
363.21423	1.5
381.22919	1.3
381.27386	4.4
382.25638	4.7
399.19949	5.0
399.28397	20.0
399.32877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.07063	1.1
57.53972	1.0
67.05505	4.7
69.07076	1.6
75.99902	1.0
79.05492	5.4
81.07050	6.6
83.08609	8.8
86.06099	1.2
91.05477	1.9
91.30386	1.0
93.07036	5.3
95.08619	2.8
97.10172	8.8
107.08614	15.9
109.10152	2.3
124.11218	10.8
125.09636	19.2
135.08031	15.1
142.12289	13.0
149.13277	5.8
152.10698	7.3
153.09138	11.8
166.15851	9.4
167.14384	1.4
169.13330	11.2
170.11748	100.0
187.14394	22.6
194.15416	2.4
208.03180	1.4
211.18019	7.6
212.16458	38.5
230.17506	1.7
326.30295	1.6
353.08994	1.4
381.27310	14.3
399.12549	12.2
399.19907	2.1
399.28378	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03445	26.6
61.02916	1.3
69.07063	2.3
70.22159	1.0
81.07038	1.3
83.08632	2.1
86.20307	1.3
97.10139	1.3
105.07053	1.9
106.03486	1.2
113.89578	1.1
117.05469	5.1
131.08237	1.2
159.06523	100.0
173.27196	1.3
213.02657	1.1
260.43314	1.3
261.42209	1.4
273.48553	1.4
339.97565	1.4
343.95831	1.4
399.31265	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03445	26.6
61.02916	1.3
69.07063	2.3
70.22159	1.0
81.07038	1.3
83.08632	2.1
86.20307	1.3
97.10139	1.3
105.07053	1.9
106.03486	1.2
113.89578	1.1
117.05469	5.1
131.08237	1.2
159.06523	100.0
173.27196	1.3
213.02657	1.1
260.43314	1.3
261.42209	1.4
273.48553	1.4
339.97565	1.4
343.95831	1.4
399.31265	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.0
57.03434	7.7
57.07085	13.0
67.00127	1.1
67.05507	11.3
69.07072	18.1
71.08637	7.9
76.07639	1.8
79.05501	2.8
81.07063	20.0
83.08627	18.6
85.06575	1.3
85.10181	5.7
87.65871	1.2
88.04446	1.4
93.07042	6.8
95.08620	19.9
97.06532	6.4
97.10174	12.2
107.08585	9.7
109.10146	11.7
111.08098	2.9
111.11724	2.3
115.07588	1.5
121.10140	8.3
123.11732	2.6
125.09597	2.9
135.11687	9.3
137.13234	1.6
139.11200	5.4
149.13312	2.4
163.14874	2.0
164.77696	1.3
167.14322	1.4
174.74213	1.4
177.16370	1.5
193.66180	1.4
217.08649	1.9
289.25198	2.3
307.26208	2.1
343.28387	16.6
381.30011	2.7
399.21579	6.0
399.31064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.1
57.07064	3.9
58.06596	1.7
62.06102	2.6
67.05481	2.3
71.08604	2.5
79.05499	3.5
81.07038	2.3
83.08621	2.3
96.75294	1.7
97.10167	4.5
99.04467	2.8
107.08587	7.3
109.10143	4.1
119.08487	1.9
124.11230	4.0
125.09625	7.8
141.18866	1.7
145.10196	2.0
158.62201	2.0
170.11789	10.1
176.87149	2.1
177.24222	2.0
196.13313	3.4
197.11708	3.2
203.57224	1.7
212.23738	87.8
212.25754	3.3
214.14339	3.9
230.24788	100.0
293.78510	1.9
321.33841	1.8
381.30536	1.7
381.34756	52.3
382.33090	30.4
399.35800	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1031
Annotation	Prolinalin B
Peak:m/z	Relative Intensity
57.04045	0.9
58.06593	1.8
68.52384	1.3
81.07048	1.6
82.14472	1.0
85.02898	1.5
91.05447	1.6
97.02836	1.3
99.04482	1.4
109.06514	1.1
121.06529	5.5
147.04408	1.9
157.76222	1.2
165.05486	2.9
172.03955	4.7
190.04997	24.1
191.07103	1.3
193.04842	1.5
202.85831	1.1
218.04552	1.5
220.13406	1.8
238.15175	5.0
250.85687	1.3
263.05719	1.8
264.06537	4.8
265.07324	1.3
275.05515	1.1
276.06635	1.8
292.06033	18.9
293.06784	5.9
294.07526	2.2
303.05078	2.6
305.06894	1.9
306.07736	5.9
308.05499	25.8
318.07593	5.3
320.05521	21.4
321.06287	18.6
321.09720	2.2
322.06921	4.6
323.07779	15.6
331.04669	1.7
336.08691	84.2
336.12360	16.4
338.09729	1.6
346.19998	1.2
348.04834	2.5
349.05905	7.7
354.09305	5.1
364.08127	59.9
382.09192	100.0
400.09814	17.5
400.14734	2.1
400.20441	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1026
Annotation	Prolinalin B
Peak:m/z	Relative Intensity
53.95166	2.4
82.51924	2.3
99.76962	2.3
147.04379	12.6
167.82608	2.3
174.05476	16.2
175.03903	57.5
176.44884	2.6
178.12468	2.4
190.04980	4.0
209.04457	15.6
220.06145	3.6
231.32622	2.8
285.07489	9.0
292.06152	3.7
296.09106	5.5
296.22217	2.8
306.07599	2.8
308.09238	23.8
321.06284	3.4
324.08688	4.6
333.06238	3.8
336.08569	17.1
337.07532	2.5
352.08041	4.5
354.09595	18.8
359.21957	62.2
364.08118	97.0
382.09128	100.0
400.11328	26.7
400.16397	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26793	0.4
55.35727	0.5
55.82394	0.5
60.47434	0.5
67.15969	0.5
71.70813	0.5
74.10389	0.4
75.88859	0.5
76.12244	0.4
80.27927	0.5
86.32773	0.6
86.91995	0.5
91.05466	0.8
103.01830	1.0
119.04893	0.7
131.31729	0.6
149.05974	14.3
149.07079	1.1
165.63670	0.6
174.05449	0.8
175.03983	1.3
179.03355	0.9
192.06548	100.0
195.02792	0.7
209.04446	34.2
253.57297	0.5
309.06357	1.0
400.10779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45522	0.7
54.08293	0.9
55.67915	0.7
56.12931	0.7
64.89001	0.7
67.05503	0.7
73.99024	0.7
75.63849	0.8
91.05525	1.0
96.06480	0.8
103.01830	1.0
111.35905	0.8
119.04901	1.3
119.29183	0.8
141.84691	0.8
149.05978	18.6
157.63582	0.9
165.05408	0.9
174.05479	1.1
179.03384	1.1
192.06548	100.0
209.04457	40.9
237.48503	0.8
336.12308	0.9
347.95218	1.0
348.25766	1.0
400.11627	3.8
400.16141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23296	0.7
56.58958	0.7
57.07104	0.6
67.05495	0.8
69.31703	0.8
79.81206	0.8
88.07617	1.3
107.59895	0.9
212.16417	1.2
228.23209	3.3
229.23593	4.3
318.18143	3.7
335.18860	1.3
336.19180	7.4
342.07483	4.3
354.20245	4.5
355.08185	1.3
356.09164	23.3
357.09760	4.9
359.20831	1.1
368.09079	6.7
369.09790	6.3
370.07040	13.4
371.11765	1.0
384.08661	57.8
385.09360	20.5
400.11752	100.0
400.36349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
53.84422	1.0
54.41378	1.2
65.54790	1.2
66.70668	1.0
81.03408	5.0
81.04539	11.1
82.12066	1.2
85.02896	2.1
99.04460	28.7
121.06525	3.0
122.07142	63.1
122.08032	2.0
136.06200	9.2
137.05975	7.0
140.08176	34.1
164.07045	32.3
164.08305	2.2
178.08849	1.3
238.08650	7.5
238.14339	1.6
248.07048	6.9
266.08127	27.8
268.10428	1.6
284.09149	72.7
299.83170	1.4
302.10220	15.6
382.12817	8.4
400.07034	12.9
400.13193	100.0
400.17926	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.139
Annotation	Narcotoline
Peak:m/z	Relative Intensity
53.03958	2.0
53.84422	1.0
54.41378	1.2
65.54790	1.2
66.70668	1.0
81.03408	5.0
81.04539	11.1
82.12066	1.2
85.02896	2.1
99.04460	28.7
121.06525	3.0
122.07142	63.1
122.08032	2.0
136.06200	9.2
137.05975	7.0
140.08176	34.1
164.07045	32.3
164.08305	2.2
178.08849	1.3
238.08650	7.5
238.14339	1.6
248.07048	6.9
266.08127	27.8
268.10428	1.6
284.09149	72.7
299.83170	1.4
302.10220	15.6
382.12817	8.4
400.07034	12.9
400.13193	100.0
400.17926	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62841	0.5
53.55570	0.6
54.17054	0.6
56.61383	0.6
67.19358	0.6
72.89719	0.7
84.47903	0.6
126.20917	0.7
132.66922	0.7
138.39494	0.6
146.06013	1.7
151.07599	0.8
158.06041	0.7
159.06761	1.0
163.03812	1.1
163.07568	6.9
166.06287	0.8
174.05484	7.3
175.06276	16.0
178.06129	0.8
181.04930	7.2
181.08600	3.3
182.08942	0.9
190.08624	100.0
191.07014	0.9
192.10191	8.4
193.05081	0.9
204.62263	0.8
205.04982	1.3
206.05278	1.0
283.12015	1.3
298.10715	1.6
310.07108	1.4
312.12387	1.6
319.08389	2.8
324.08676	0.7
326.10202	1.7
328.11703	3.7
334.10690	3.3
335.11066	0.8
336.11899	0.8
340.11789	7.3
341.12573	3.2
344.14932	4.0
347.11072	0.8
372.14450	70.3
400.14319	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Cathaformine
Peak:m/z	Relative Intensity
51.52428	1.0
55.20106	1.6
56.03737	1.3
61.79852	1.2
76.99727	1.3
88.54857	1.5
92.89623	1.4
95.40838	1.4
121.96304	1.5
129.68013	1.4
141.71327	1.5
176.07074	19.5
177.05515	2.0
178.06035	1.7
197.58952	1.4
205.04950	3.3
281.10510	2.2
294.07739	2.1
296.09311	3.2
309.10083	7.4
310.07480	7.6
318.07935	1.6
324.08716	21.1
325.09509	7.8
334.10773	2.8
335.07806	2.0
336.08835	3.5
336.12454	2.0
338.06717	9.6
340.11942	12.9
352.08234	8.9
353.08987	25.5
368.11288	100.0
400.13977	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59321	0.7
58.06603	9.7
61.44780	0.7
64.06848	0.8
65.47925	0.7
70.06574	1.0
86.25513	0.8
94.82967	0.7
110.07167	4.3
115.05323	1.0
121.02840	1.2
121.06494	8.9
133.08844	1.5
148.07573	73.9
161.08337	14.1
162.09128	15.1
176.07068	5.7
177.05435	1.4
177.07838	24.4
178.08636	16.7
188.07060	1.6
190.08778	0.8
193.05006	1.0
206.07980	1.1
277.08585	4.0
281.08081	1.5
296.10220	3.4
310.10721	3.2
312.12451	1.7
321.09866	2.0
321.95035	0.9
322.10471	1.2
338.10162	1.9
340.11816	7.9
341.12674	1.0
352.08121	1.7
354.13202	1.3
354.20218	4.1
355.11252	0.9
356.14896	27.3
366.09650	4.9
367.10504	4.4
382.12729	14.9
382.18176	1.4
400.13776	100.0
400.18036	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71356	1.4
59.42290	1.3
59.50888	1.3
61.02911	1.3
62.06106	1.5
70.06604	6.6
71.04992	8.2
72.08158	2.2
82.53735	1.5
85.02910	17.5
85.45933	1.6
86.09721	2.7
89.86658	1.7
97.02936	2.3
107.04936	1.8
121.06522	1.8
127.03996	2.6
129.05482	3.4
131.04933	14.4
132.05313	6.8
136.03999	1.9
140.07129	3.7
142.44305	2.1
145.02919	3.3
148.07559	53.0
148.08626	2.6
154.05040	11.3
158.08266	2.1
161.08434	6.6
162.09166	8.6
163.07603	2.4
164.07898	6.8
169.20744	1.7
176.07121	2.9
177.05484	23.3
177.07814	15.6
178.08652	11.9
188.07068	2.3
225.07538	2.8
236.58646	1.8
239.09511	2.2
270.11426	2.3
280.08072	2.2
296.05756	2.5
296.09518	1.8
297.05951	10.0
312.13336	4.0
324.12674	1.9
340.08249	3.3
340.12466	12.1
341.09308	2.6
341.13846	3.6
356.15256	21.7
367.10336	3.0
382.12759	12.6
400.14261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Narcotoline
Peak:m/z	Relative Intensity
51.66756	0.4
64.34524	0.4
69.07069	0.4
79.05484	0.5
81.07050	0.6
93.07024	1.7
95.08621	0.9
105.07051	0.7
107.08571	2.1
107.84932	0.5
109.02899	0.5
109.10152	0.6
115.32378	0.4
119.08507	0.7
121.06500	2.0
123.11657	0.7
135.04430	1.9
149.05971	1.0
156.04642	0.5
161.05931	0.9
163.03870	6.5
164.07050	1.8
165.05469	2.5
165.09074	0.7
166.08629	0.7
178.02650	0.6
187.07504	0.6
191.07021	1.1
192.06535	2.8
193.04958	100.0
202.15756	0.5
340.08084	0.5
382.27167	2.7
400.14032	16.8
400.20557	1.0
400.28741	0.9
409.76151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1391
Annotation	Narcotoline
Peak:m/z	Relative Intensity
65.64793	0.9
65.69404	1.1
70.76175	1.1
87.21581	1.0
101.78684	1.1
108.69248	1.1
133.06535	1.4
135.08067	1.5
150.06776	17.5
164.08348	2.1
165.05450	5.8
165.09113	51.7
165.10435	2.3
190.08698	5.8
192.07880	1.9
193.04890	5.5
206.08138	2.2
224.02946	1.3
292.84683	1.2
304.06470	1.5
308.09137	10.5
310.10739	1.8
319.08478	1.9
321.10107	1.4
324.08658	5.9
334.10675	2.1
336.08502	1.5
336.12384	1.3
338.10220	7.0
339.11148	2.1
340.11700	1.3
352.08191	11.8
354.13373	27.9
368.11234	1.8
372.14496	1.8
382.12878	23.2
383.13132	1.2
400.13904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Narcotoline
Peak:m/z	Relative Intensity
51.71356	1.4
59.42290	1.3
59.50888	1.3
61.02911	1.3
62.06106	1.5
70.06604	6.6
71.04992	8.2
72.08158	2.2
82.53735	1.5
85.02910	17.5
85.45933	1.6
86.09721	2.7
89.86658	1.7
97.02936	2.3
107.04936	1.8
121.06522	1.8
127.03996	2.6
129.05482	3.4
131.04933	14.4
132.05313	6.8
136.03999	1.9
140.07129	3.7
142.44305	2.1
145.02919	3.3
148.07559	53.0
148.08626	2.6
154.05040	11.3
158.08266	2.1
161.08434	6.6
162.09166	8.6
163.07603	2.4
164.07898	6.8
169.20744	1.7
176.07121	2.9
177.05484	23.3
177.07814	15.6
178.08652	11.9
188.07068	2.3
225.07538	2.8
236.58646	1.8
239.09511	2.2
270.11426	2.3
280.08072	2.2
296.05756	2.5
296.09518	1.8
297.05951	10.0
312.13336	4.0
324.12674	1.9
340.08249	3.3
340.12466	12.1
341.09308	2.6
341.13846	3.6
356.15256	21.7
367.10336	3.0
382.12759	12.6
400.14261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1388
Annotation	Ceratonicine
Peak:m/z	Relative Intensity
50.34259	0.9
54.33008	0.7
64.23597	0.9
66.05856	0.7
69.50983	1.1
69.75514	0.9
71.14286	0.7
76.66394	0.8
80.68114	0.8
101.41883	0.8
102.64814	0.8
117.43710	0.8
125.82285	0.9
129.73854	0.9
149.06026	1.4
151.07594	0.8
152.52879	1.0
173.77562	0.9
176.07065	5.1
178.05994	1.1
192.06546	1.5
193.04834	1.2
205.04962	1.6
219.32504	0.8
222.11774	0.8
308.09537	1.1
309.10049	1.6
310.07324	1.9
324.08667	4.3
326.10422	1.1
331.36069	0.9
336.08771	1.7
338.06714	4.5
339.07281	1.3
340.08231	4.8
340.11987	4.1
352.08218	3.3
353.09113	9.2
354.09695	100.0
355.10574	7.2
368.11273	37.4
369.12088	31.1
370.13055	3.9
400.13971	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63148	0.6
53.03954	1.1
54.91555	0.7
57.46992	0.7
69.03448	1.4
71.04999	1.2
71.67655	0.8
81.03422	3.9
81.04552	7.0
85.02902	3.1
85.53865	0.7
99.04459	27.2
104.83601	0.8
121.06543	1.1
122.07150	45.6
136.06187	100.0
137.05972	3.4
140.08182	23.2
141.09492	0.8
164.07059	15.6
175.04272	6.3
178.07230	3.1
179.18819	0.8
208.08368	2.8
221.04735	4.0
232.08321	4.2
238.08554	5.3
238.14238	0.9
248.07179	5.6
250.09315	4.0
256.16660	0.7
266.08130	16.3
268.10394	59.7
284.09164	40.8
302.10184	13.2
382.12885	4.2
400.07080	6.1
400.13528	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33632	0.2
52.93808	0.3
55.01872	0.4
57.03431	1.7
64.96070	0.3
69.03419	0.5
71.01340	0.3
73.02903	0.5
85.02898	2.2
87.04465	0.3
97.02909	0.4
105.92545	0.3
115.03938	1.3
129.93648	0.3
133.04999	0.4
136.06187	100.0
137.04507	0.3
144.46335	0.3
147.01250	0.3
178.07217	2.2
208.08311	0.5
214.07318	0.4
232.08249	2.0
250.09352	2.5
268.10376	36.2
302.48752	0.4
321.50253	0.3
367.03549	0.3
372.35248	0.3
400.06790	1.5
400.14618	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
58.07159	0.8
61.87412	0.8
72.04507	1.4
74.06070	1.9
81.03416	1.4
85.02884	1.2
86.06046	1.2
98.06044	1.2
108.17384	0.9
109.02876	1.3
117.03387	1.5
122.06034	6.9
128.07027	3.8
145.02847	33.0
148.07558	29.5
152.07028	19.0
161.08305	1.5
162.09119	4.4
170.08148	8.8
176.07074	2.0
177.05458	100.0
177.07704	10.1
178.08630	5.7
188.09193	2.1
206.10211	1.5
207.06439	1.4
310.10413	0.9
312.12219	1.4
321.09830	1.1
340.11548	2.0
341.12296	1.6
346.12897	1.5
356.11066	2.7
356.14932	18.9
364.13953	9.3
382.14359	12.1
400.13638	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
58.07159	0.8
61.87412	0.8
72.04507	1.4
74.06070	1.9
81.03416	1.4
85.02884	1.2
86.06046	1.2
98.06044	1.2
108.17384	0.9
109.02876	1.3
117.03387	1.5
122.06034	6.9
128.07027	3.8
145.02847	33.0
148.07558	29.5
152.07028	19.0
161.08305	1.5
162.09119	4.4
170.08148	8.8
176.07074	2.0
177.05458	100.0
177.07704	10.1
178.08630	5.7
188.09193	2.1
206.10211	1.5
207.06439	1.4
310.10413	0.9
312.12219	1.4
321.09830	1.1
340.11548	2.0
341.12296	1.6
346.12897	1.5
356.11066	2.7
356.14932	18.9
364.13953	9.3
382.14359	12.1
400.13638	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
58.07159	0.8
61.87412	0.8
72.04507	1.4
74.06070	1.9
81.03416	1.4
85.02884	1.2
86.06046	1.2
98.06044	1.2
108.17384	0.9
109.02876	1.3
117.03387	1.5
122.06034	6.9
128.07027	3.8
145.02847	33.0
148.07558	29.5
152.07028	19.0
161.08305	1.5
162.09119	4.4
170.08148	8.8
176.07074	2.0
177.05458	100.0
177.07704	10.1
178.08630	5.7
188.09193	2.1
206.10211	1.5
207.06439	1.4
310.10413	0.9
312.12219	1.4
321.09830	1.1
340.11548	2.0
341.12296	1.6
346.12897	1.5
356.11066	2.7
356.14932	18.9
364.13953	9.3
382.14359	12.1
400.13638	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.5
61.91570	0.2
69.03419	1.6
71.04994	5.7
81.03423	0.3
85.02908	3.3
87.24143	0.3
92.04994	0.6
95.06075	0.6
99.04430	0.4
109.02879	0.3
109.78448	0.3
117.05461	1.4
121.06502	0.6
127.03891	0.7
136.03915	2.9
140.07036	0.4
153.06953	0.3
154.04985	100.0
166.36664	0.3
172.67865	0.3
196.05983	0.4
280.08130	17.2
285.09799	0.4
298.09183	8.8
335.57065	0.3
379.10422	0.3
382.14996	0.5
400.10172	0.5
400.15970	10.6
400.90927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08709	0.2
65.23174	0.2
68.23565	0.2
69.03414	1.1
77.10484	0.2
78.20622	0.2
81.03404	0.3
83.54498	0.2
85.02895	1.9
92.04992	0.9
95.02541	0.2
99.04420	0.8
108.04435	0.3
113.02863	0.2
117.05415	0.2
127.03906	0.9
136.03903	5.2
148.23521	0.2
154.04984	100.0
196.06033	0.2
201.38667	0.2
203.05734	0.2
213.98784	0.2
238.10765	0.2
250.34891	0.2
280.08121	18.5
296.05353	0.3
297.05927	0.4
298.06146	0.3
298.09183	9.9
356.13116	1.1
400.11481	0.6
400.16058	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46300	0.2
53.90691	0.2
54.08328	0.2
54.36825	0.2
54.55341	0.3
55.51807	0.3
69.03425	1.7
70.06575	0.4
77.75835	0.3
81.03445	0.3
81.09579	0.3
82.44220	0.3
83.60774	0.3
85.02911	2.4
92.04996	1.6
99.04439	0.5
104.13907	0.3
108.04451	0.4
117.05499	1.3
121.06488	1.4
122.06833	0.5
127.03879	1.2
136.03931	4.0
154.04988	100.0
165.14745	0.4
279.77551	0.3
280.08142	16.6
298.09247	8.6
340.11661	0.4
356.14926	1.8
364.16785	0.4
382.17578	0.6
400.16013	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
63.10388	0.3
65.60151	0.3
69.03413	2.0
74.72660	0.4
85.02885	2.0
91.43444	0.4
92.05013	0.9
95.06106	0.5
98.11203	0.5
99.04446	2.4
109.07915	0.5
117.05483	13.9
127.03906	0.6
128.18219	0.4
136.03900	3.3
142.74646	0.4
154.04977	100.0
209.45171	0.4
232.16666	0.4
236.06479	0.4
238.98123	0.5
259.44855	0.5
280.08112	15.3
298.09253	8.2
327.21814	0.5
400.10513	1.3
400.15979	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62799	1.2
55.05500	1.7
65.84610	1.2
67.05504	18.3
69.07054	5.6
71.46950	1.2
72.47810	1.3
79.05492	16.4
81.07062	12.8
86.06041	3.0
87.04474	5.1
91.05499	9.6
93.07040	13.5
95.04930	1.6
95.08585	13.2
98.06055	36.9
105.07034	8.6
107.08569	9.3
109.10139	2.5
115.55679	1.5
119.08553	5.8
120.08136	1.8
121.06564	2.0
121.10135	5.7
123.04409	6.8
128.14349	7.8
131.04915	5.5
131.08585	6.6
133.10123	6.5
135.11685	1.4
137.05995	14.7
137.54245	1.3
145.06502	2.1
145.10048	2.0
147.11674	3.5
149.05968	22.2
151.07574	2.1
157.06517	1.5
159.08153	1.3
159.11674	1.7
161.05966	8.8
161.13123	1.9
163.07501	3.3
164.07050	3.4
166.08691	1.5
173.05949	8.1
175.07535	11.7
177.09274	2.0
189.09105	1.9
190.08699	2.8
192.06516	1.7
196.16982	8.2
201.09108	2.7
207.06561	1.8
213.09134	1.7
214.17992	75.6
215.10576	5.4
257.00439	1.6
382.27390	100.0
400.30463	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11141	0.7
55.05521	2.7
57.07079	0.7
67.00900	0.5
67.05515	4.9
69.07077	3.8
79.05515	0.8
81.07061	7.0
83.08626	1.7
91.05505	1.4
93.07055	6.2
95.04967	1.0
95.08614	7.2
97.06553	1.1
103.05424	0.8
104.94960	0.7
107.08658	0.8
109.06603	0.6
109.10150	3.0
119.08607	0.7
121.06506	100.0
123.11743	0.9
136.07652	0.9
138.09154	10.7
164.06941	0.8
207.82709	0.8
271.15652	0.8
336.20877	1.3
354.21951	1.2
400.32144	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11141	0.7
55.05521	2.7
57.07079	0.7
67.00900	0.5
67.05515	4.9
69.07077	3.8
79.05515	0.8
81.07061	7.0
83.08626	1.7
91.05505	1.4
93.07055	6.2
95.04967	1.0
95.08614	7.2
97.06553	1.1
103.05424	0.8
104.94960	0.7
107.08658	0.8
109.06603	0.6
109.10150	3.0
119.08607	0.7
121.06506	100.0
123.11743	0.9
136.07652	0.9
138.09154	10.7
164.06941	0.8
207.82709	0.8
271.15652	0.8
336.20877	1.3
354.21951	1.2
400.32144	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72385	0.5
55.05501	2.3
57.07077	0.8
67.05502	3.6
69.07059	3.5
79.05519	0.6
80.80371	0.6
81.07063	5.3
83.08607	1.2
84.08027	0.5
86.95315	0.5
91.05458	1.3
92.21510	0.6
93.07069	5.7
95.08608	4.9
97.10188	0.7
103.05499	1.0
105.06995	0.9
109.10153	2.2
121.06499	100.0
133.10065	0.5
138.09140	14.9
139.41689	0.6
164.07141	0.7
189.47729	0.5
206.69812	0.6
245.22636	0.7
267.89310	0.6
391.73480	0.6
400.32104	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3421
Annotation	L-Palmitoylcarnitine
Peak:m/z	Relative Intensity
51.84781	0.8
52.45965	0.9
55.05516	4.0
56.05033	2.3
57.07077	4.7
60.04514	1.8
60.58928	0.8
67.05499	6.7
69.07066	5.2
72.08159	41.9
79.05483	5.4
81.07059	9.5
83.08628	4.1
84.08147	11.1
86.09724	10.3
89.79352	1.0
91.05479	1.4
93.07029	4.4
95.08600	10.7
96.08125	1.1
97.06472	1.1
97.10165	2.3
98.09692	1.4
102.09188	8.4
107.08610	2.5
109.10160	6.6
110.09729	1.5
114.09164	32.5
114.09893	2.0
116.07126	1.2
116.10699	2.4
118.08629	1.9
118.70190	0.9
121.10166	5.0
130.08641	6.9
132.10182	4.1
135.11685	1.7
156.13759	2.0
160.09686	14.8
225.85466	1.1
306.31595	7.2
308.33035	14.2
336.32547	20.1
352.31885	1.7
354.33600	11.7
359.19308	1.3
364.28543	1.3
382.33142	13.5
400.34222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24554	0.9
54.48887	0.9
55.05515	7.0
55.07275	1.1
57.07082	10.2
62.89430	1.2
67.05491	1.9
69.07066	14.0
70.06599	8.4
71.08624	2.7
81.07054	9.8
83.08617	12.4
85.02898	2.1
87.82098	1.1
88.07626	44.9
93.07059	1.6
94.40628	1.2
95.08612	10.7
95.78806	1.1
96.30879	1.2
97.10165	11.0
102.09180	15.9
109.10161	6.1
111.11707	2.0
112.07607	1.2
116.07104	2.7
121.10119	5.7
123.11729	1.7
135.11714	1.7
149.13275	1.3
199.02391	1.2
219.51949	1.1
221.19025	1.5
260.06235	1.2
266.28204	1.2
294.31564	1.3
308.29459	11.0
338.34125	53.2
341.30469	4.5
382.32669	2.6
382.37054	4.1
400.34015	100.0
400.37994	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3419
Annotation	L-Palmitoylcarnitine
Peak:m/z	Relative Intensity
50.41689	1.0
55.05498	1.4
57.07079	14.6
57.14640	1.2
57.24813	1.1
58.06603	8.5
59.07388	2.6
60.08174	23.8
67.05491	2.6
69.07058	3.3
71.08627	14.3
74.47732	1.1
81.07056	7.5
83.08617	5.8
85.02912	6.7
85.10181	8.2
95.08630	14.8
97.02899	1.3
97.10151	1.9
109.10141	5.5
144.10178	2.8
162.11244	37.2
171.13814	8.9
192.06512	2.0
270.78488	1.4
280.85690	1.3
293.81387	1.6
320.34778	1.5
330.84061	1.5
341.26828	49.6
400.34192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22363	1.5
55.41314	1.7
56.96574	2.6
57.07229	1.5
89.23287	2.2
98.97581	47.1
104.05659	2.2
113.48308	1.8
115.64001	2.0
116.98620	35.3
134.99654	12.4
168.63872	1.9
221.68568	1.8
240.98734	4.0
258.99756	66.5
263.50839	2.5
274.97559	2.4
277.00818	100.0
282.99963	2.3
292.98657	2.4
303.00970	3.4
336.05121	2.6
378.06284	2.4
383.00122	13.3
401.01199	41.7
419.01926	13.2
419.07162	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11020	1.7
58.06582	2.4
63.20474	1.8
66.01112	1.7
75.46536	1.7
86.00579	1.9
87.19146	2.0
92.35951	1.9
115.01598	2.2
131.06355	1.9
172.97903	2.1
401.11874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86111	1.8
77.14855	1.9
81.03424	2.7
86.09686	3.7
99.04429	2.3
109.02882	8.8
121.06481	10.8
167.07007	8.9
177.05479	3.5
285.07538	3.8
401.11844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1419
Annotation	URB447
Peak:m/z	Relative Intensity
52.09146	1.1
56.50555	1.3
58.06601	1.0
63.01791	1.3
70.06598	1.4
85.06532	1.4
86.44873	1.3
105.96535	1.2
121.06499	11.8
154.05016	1.5
195.66054	1.6
198.79030	1.5
219.50172	1.4
299.07327	2.0
334.07275	1.4
383.14392	4.9
391.56763	1.3
401.14154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03016	0.4
85.02921	0.5
91.05486	1.9
93.07044	4.9
95.04960	0.4
97.02879	0.9
98.06082	0.6
103.05477	2.3
112.15269	0.4
121.06502	100.0
122.06835	1.8
126.05501	6.2
135.52113	0.4
144.06534	0.4
148.07542	0.8
150.09164	1.6
151.65024	0.3
245.07607	3.1
262.10666	0.8
263.08798	3.4
336.14420	0.7
365.13208	0.5
383.14438	30.1
397.83643	0.4
401.15494	23.3
401.20419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24746	0.4
54.43007	0.4
55.01877	0.5
63.17903	0.4
66.38310	0.5
67.00985	0.5
70.05841	0.4
71.73106	0.4
80.50751	0.5
91.05474	2.0
93.07040	3.8
93.96956	0.4
95.05004	0.6
97.02885	1.0
103.05445	1.1
107.04923	0.9
121.06498	100.0
126.05499	7.8
150.09126	2.3
189.38557	0.4
196.64381	0.6
217.33931	0.5
245.07700	4.0
246.11328	0.6
263.08841	2.4
293.09106	0.8
336.14551	0.8
365.13831	0.7
383.14465	33.5
401.15533	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86668	0.3
52.86915	0.4
55.01887	0.8
58.06604	0.7
64.95592	0.3
65.78682	0.4
66.71312	0.4
67.62502	0.4
67.68666	0.4
69.03433	0.6
70.06594	2.3
70.18534	0.3
72.51825	0.4
79.64136	0.4
81.03430	0.5
82.29686	0.4
85.02912	1.9
85.06554	1.6
87.04448	0.5
91.05484	0.9
93.07049	4.6
95.04964	0.6
96.04481	3.8
97.02890	2.7
98.06059	0.7
99.04449	0.7
103.05476	2.6
107.04951	1.7
109.02870	0.8
114.05527	0.5
116.07105	0.6
121.06507	100.0
122.06027	0.5
122.06865	0.5
125.14722	0.5
126.05517	2.3
127.03906	0.8
140.07085	0.7
144.06573	0.5
148.07552	0.8
150.09181	3.6
156.06598	0.4
164.07063	0.4
199.06010	1.8
216.10214	1.0
245.07756	0.5
246.11224	0.6
261.20215	0.5
263.08557	0.6
264.12439	0.5
290.73361	0.6
380.87354	0.5
383.14481	44.1
389.40186	0.4
401.15445	13.7
416.89603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1589
Annotation	Gomisin R
Peak:m/z	Relative Intensity
58.06596	1.6
59.07777	1.6
67.46874	1.6
78.04841	1.6
79.05497	3.9
80.68407	1.9
86.09668	1.8
94.16591	1.8
98.05922	1.8
99.04445	9.1
107.04962	21.4
130.99493	1.7
133.06398	1.8
145.06488	3.5
156.05698	2.4
159.08006	3.9
161.05971	2.4
163.03767	2.2
167.07024	100.0
173.06107	2.3
187.07500	4.0
189.37369	1.9
205.08553	3.9
206.02422	1.9
207.06458	2.6
217.08594	14.7
219.08037	8.2
219.10117	4.1
231.08006	1.9
232.09195	2.1
233.09610	2.1
235.11082	2.2
245.09624	2.4
247.07555	4.4
248.08296	3.4
249.09073	2.2
261.09122	4.0
262.09775	4.2
263.10660	8.3
264.07813	3.9
265.08566	7.6
269.08246	2.5
271.09683	2.4
275.07022	3.5
276.07751	3.9
277.08682	2.6
279.10150	8.2
289.08612	2.9
290.09271	3.5
291.10254	14.2
293.08328	3.4
300.09543	2.1
307.09793	7.6
308.10355	9.4
315.08545	18.7
319.09677	2.2
321.07565	3.6
323.09406	2.6
323.12802	10.8
330.10864	13.7
336.09943	2.9
337.10623	4.5
339.12335	8.0
341.59824	2.2
342.16757	2.1
343.11633	4.5
351.12350	14.9
352.22031	2.4
353.10135	8.6
356.12338	3.8
368.12454	8.2
371.14810	11.0
383.14890	69.9
401.15491	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	(+)-Aschantin
Peak:m/z	Relative Intensity
50.40070	0.5
55.01873	1.2
55.92204	0.6
90.99532	0.6
91.05502	1.0
94.92863	0.6
99.68418	0.6
105.07033	1.5
107.04955	3.1
121.06464	0.7
123.04430	1.4
133.06497	2.6
144.05783	0.7
159.04356	0.8
159.08006	1.1
161.05983	3.4
167.07027	61.9
173.05945	0.8
177.05376	0.8
179.07097	1.4
181.08554	4.5
187.07591	2.9
191.07117	2.4
193.08578	4.0
205.08453	1.0
207.06657	0.9
216.07809	0.7
217.08699	3.0
219.06561	3.5
219.10114	2.2
220.08858	1.5
229.08395	0.6
231.08087	7.5
232.08974	2.7
233.07898	0.9
233.09911	1.0
234.08998	0.9
235.11411	1.0
247.07556	2.9
248.08331	9.2
249.09137	0.7
259.07492	3.0
260.08453	1.0
261.09103	2.4
262.09991	2.3
263.10684	6.5
265.08517	2.8
275.07034	2.8
276.07678	5.8
277.08679	3.7
282.08438	0.7
289.08487	1.0
290.09412	2.7
291.10129	8.6
292.10843	0.7
293.08115	4.8
305.08054	2.3
307.09564	3.2
308.10309	6.4
315.08615	1.0
319.09521	1.2
321.07578	4.1
322.08475	1.0
323.09247	0.7
323.12756	4.3
325.10611	0.9
336.09845	0.9
337.10831	2.8
351.12234	4.3
353.10037	2.7
368.12213	1.1
383.14700	5.5
401.15958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77362	2.1
67.05497	4.2
71.88046	2.2
78.08695	2.0
81.07098	2.5
87.47536	2.1
88.07633	3.3
90.76151	2.2
91.05518	2.4
95.08674	2.5
107.04919	2.6
109.46441	2.4
119.04900	3.4
121.02866	2.8
162.37183	2.3
163.03900	3.8
164.04350	4.3
167.07092	2.8
181.04973	16.1
191.07063	2.5
193.04965	100.0
193.06676	5.4
194.05293	77.4
195.07974	2.4
221.09637	10.8
237.09045	2.9
238.09860	3.1
249.09122	5.6
253.08611	13.3
253.12311	8.4
266.09601	3.4
281.08383	3.8
281.11685	13.6
283.09525	9.0
297.94037	3.1
298.08090	3.8
300.09833	12.0
309.11148	2.5
313.10657	64.5
313.14340	53.9
326.11584	2.3
341.13846	33.8
360.22342	4.6
369.13074	5.5
401.10507	8.9
401.15552	69.8
401.21725	3.9
401.23038	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
61.26465	1.2
64.49304	1.2
79.05492	10.9
80.19592	1.3
95.04964	1.8
99.84877	1.4
104.17404	1.3
107.04954	34.7
121.06532	2.2
123.04453	2.2
124.05221	5.6
125.06001	5.2
129.07011	1.9
131.04915	1.6
131.08557	8.5
141.06955	1.5
144.05751	5.6
145.06450	1.6
153.05499	1.6
156.05684	6.6
157.06502	1.3
159.08044	15.8
161.05965	7.2
163.03922	2.0
167.05597	3.4
167.07028	100.0
170.07310	1.7
173.05969	3.0
176.97212	1.5
177.05508	1.9
179.07036	1.9
181.04984	8.7
181.08559	5.8
184.05074	1.5
186.06752	2.9
187.07556	12.0
191.07109	2.3
193.08656	2.1
195.06590	1.9
202.06282	11.8
204.07845	1.8
205.08592	15.7
205.10222	1.9
207.06593	5.1
207.10275	1.5
215.07079	1.7
217.08578	54.9
217.10541	2.4
219.08092	5.5
219.10141	6.4
220.08960	1.6
229.08482	2.4
231.08054	3.3
231.10092	2.9
233.09692	5.3
235.11104	2.2
236.08385	2.5
237.09131	1.4
245.09570	4.8
247.07457	8.1
247.09677	16.2
248.08327	13.5
249.09090	2.7
251.10608	2.2
256.07315	2.2
259.07480	2.0
261.09216	5.8
262.09918	2.4
263.07138	1.9
263.10718	7.9
264.07852	6.9
265.08536	7.0
269.08109	9.3
271.09598	12.0
275.06958	2.5
276.07846	6.4
277.08536	2.5
278.09113	1.6
279.10193	11.4
280.10809	1.4
282.08905	7.5
289.08759	1.5
290.09369	6.6
291.10120	12.6
292.07251	2.4
293.05051	1.4
293.07907	11.5
296.10440	2.3
299.09021	2.6
301.07123	2.8
305.08044	2.3
307.09698	9.9
308.10480	8.2
309.07651	2.7
309.11053	1.8
310.08224	4.9
311.12775	2.6
315.08606	69.5
319.09631	2.9
320.09604	1.6
321.07538	2.9
321.11328	1.6
322.11874	1.8
323.09225	2.7
323.12747	13.4
324.10080	2.1
325.10703	2.9
328.09357	1.9
330.10992	42.1
331.11691	9.0
335.09091	2.1
336.10037	7.1
337.10828	8.3
339.12274	9.0
343.11847	12.1
350.11450	1.7
351.12268	22.5
352.12711	1.6
353.10162	11.7
356.12473	2.4
368.12595	7.6
369.13446	2.5
371.15009	10.1
383.14893	72.6
401.16077	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
55.01869	10.9
64.74673	2.8
79.35673	2.5
91.05493	4.0
93.07055	3.4
107.04973	4.2
107.08570	2.6
115.85875	2.4
121.11460	3.0
121.76927	3.2
130.40617	2.7
131.04900	5.7
137.05991	5.3
138.06705	3.8
143.04866	3.9
154.06194	4.2
155.04965	9.2
157.21869	2.9
160.05151	3.5
161.06003	3.6
166.06259	37.6
169.08594	2.9
172.05177	3.7
175.07526	17.8
177.05466	5.0
177.92802	2.7
181.05028	3.8
181.08603	51.7
183.04414	3.8
187.07584	12.3
190.06255	17.8
191.07007	15.8
200.04607	2.8
203.07091	4.6
205.08621	28.0
206.09352	4.7
209.08043	13.0
215.07086	23.7
237.12154	3.2
247.07338	4.6
249.09132	6.6
261.08994	3.8
263.10629	4.2
265.08551	6.5
275.06924	6.8
276.07675	3.0
277.08670	15.4
278.09369	5.1
279.10187	15.1
281.11481	3.5
287.06891	3.4
290.09274	10.3
291.10175	28.6
292.10898	4.5
293.08099	6.4
294.09021	3.2
295.09766	5.5
303.10144	21.8
305.07986	13.4
305.11691	4.7
306.08899	4.3
307.09708	26.5
308.10284	6.8
309.07849	4.3
309.11111	27.4
311.12625	3.2
313.10693	5.2
315.08478	3.5
319.09628	36.8
320.10193	3.8
321.07840	6.1
321.11243	29.3
322.11813	21.6
323.09116	11.1
323.12851	11.0
324.13626	3.3
333.11002	11.2
334.11984	47.5
335.09125	13.8
335.12732	3.8
336.12650	3.3
337.10654	55.6
337.14398	4.9
338.11502	3.2
350.11462	5.1
351.12247	7.0
352.13037	59.6
353.10120	9.0
353.13837	41.3
365.13800	100.0
368.12500	5.3
371.14828	33.9
383.14911	98.3
395.11584	3.8
401.15799	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
70.35466	3.4
72.40681	4.4
79.05505	6.5
107.04935	28.6
124.05165	4.6
131.08580	6.6
145.06461	7.8
149.06017	5.1
159.08025	8.7
161.06050	4.2
165.09093	22.8
166.09462	23.4
167.07040	91.3
173.05934	4.8
181.04985	19.2
187.07558	7.8
191.07086	5.4
193.01282	24.6
194.01645	21.0
205.08604	15.7
207.06628	5.8
208.09717	53.1
209.10036	61.1
216.15976	16.3
217.08598	43.1
247.07434	5.5
247.09679	7.2
248.08217	7.1
254.44073	4.0
255.18933	4.0
262.09796	7.3
263.10641	5.7
269.08035	8.6
271.09607	5.9
275.06967	8.8
276.07904	4.8
277.08704	4.6
279.10028	8.5
282.08798	6.5
283.09372	4.8
290.09344	6.7
291.10260	7.9
293.08115	5.1
294.11972	5.3
296.10745	4.8
307.09558	5.8
310.08441	8.7
315.08609	100.0
322.11533	5.1
328.09454	5.3
330.10995	72.2
331.11533	4.2
337.10635	9.9
339.08612	4.5
339.12311	5.9
343.11707	16.3
345.85934	4.2
351.12253	17.8
353.09851	6.4
356.12637	5.1
369.12943	5.5
371.14978	6.5
383.14914	58.7
401.11697	21.2
401.16541	71.5
401.21750	7.0
406.81305	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1706
Annotation	G 324E
Peak:m/z	Relative Intensity
62.84423	2.4
81.07020	2.0
84.68459	2.2
84.69862	2.4
88.19441	2.6
107.86556	2.5
109.67470	2.1
110.62172	2.1
120.08091	9.6
121.29639	2.2
122.09673	16.8
148.07578	9.2
199.08739	3.1
212.09433	35.3
213.10220	33.0
223.12273	14.1
225.11539	5.2
226.10890	5.5
227.11751	4.2
234.11069	3.8
237.10493	2.9
241.13359	79.5
242.14127	12.5
251.11807	2.9
255.11246	11.1
262.10712	3.8
263.12100	2.8
269.12823	23.0
269.15927	2.5
293.16629	2.6
297.16003	14.9
309.15848	2.4
326.12665	2.3
355.16437	14.2
360.11392	2.5
373.17560	9.2
380.80591	2.7
383.15967	100.0
401.16858	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84423	2.4
81.07020	2.0
84.68459	2.2
84.69862	2.4
88.19441	2.6
107.86556	2.5
109.67470	2.1
110.62172	2.1
120.08091	9.6
121.29639	2.2
122.09673	16.8
148.07578	9.2
199.08739	3.1
212.09433	35.3
213.10220	33.0
223.12273	14.1
225.11539	5.2
226.10890	5.5
227.11751	4.2
234.11069	3.8
237.10493	2.9
241.13359	79.5
242.14127	12.5
251.11807	2.9
255.11246	11.1
262.10712	3.8
263.12100	2.8
269.12823	23.0
269.15927	2.5
293.16629	2.6
297.16003	14.9
309.15848	2.4
326.12665	2.3
355.16437	14.2
360.11392	2.5
373.17560	9.2
380.80591	2.7
383.15967	100.0
401.16858	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2324
Annotation	CHEBI:69983
Peak:m/z	Relative Intensity
55.05514	1.4
55.10588	1.4
59.23834	1.4
67.05521	2.7
69.07066	13.6
69.14812	1.5
70.47739	1.4
71.04988	10.1
73.59640	1.5
81.07057	10.2
83.08616	2.8
83.87090	1.8
93.07026	3.2
95.08585	3.5
107.08580	3.7
109.10165	19.4
111.11741	2.2
119.04969	2.5
121.10120	2.9
123.11716	2.3
125.09636	3.0
127.11195	3.8
131.08617	1.7
133.06500	2.8
135.08054	2.6
135.11699	8.8
138.10062	1.9
139.11206	2.3
145.10126	2.0
149.05962	9.7
151.07556	1.8
151.11159	2.8
153.12746	14.9
157.10124	4.0
159.11722	7.0
161.05969	7.5
163.04021	1.9
163.07574	3.0
171.11743	2.3
173.05992	8.9
173.09622	2.9
175.07527	7.0
175.11195	7.3
177.05460	19.5
185.09621	7.7
187.07512	2.8
187.11153	15.6
189.05486	3.8
189.09030	2.0
191.07047	7.3
191.10785	2.8
197.09608	1.9
199.11195	3.1
200.20102	3.4
201.05437	6.7
201.09122	16.2
203.07059	3.2
203.10648	16.5
205.04985	38.7
205.12257	25.5
213.09111	42.8
215.07114	2.7
215.10687	33.8
217.08586	2.1
217.12253	22.9
225.09129	2.1
227.10698	2.9
229.08588	9.0
229.12173	7.2
231.10176	9.4
233.08194	3.2
233.11737	36.1
241.08630	10.6
241.12265	2.0
243.10127	20.8
245.11717	3.9
253.15895	3.8
257.11862	1.9
259.09509	2.4
261.11237	33.9
263.12772	9.9
267.13809	2.3
269.15256	11.6
271.16809	3.3
281.15347	10.4
287.16220	1.9
297.14749	2.9
299.16388	24.9
309.14893	6.4
317.17465	3.6
321.09424	2.9
327.15906	46.0
337.21594	11.7
345.16949	28.3
355.22726	34.1
357.09503	3.0
373.23819	18.2
383.14856	2.7
383.22238	42.5
385.08859	6.6
401.11960	7.5
401.15982	7.3
401.23221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25597	1.3
57.07070	8.2
67.05492	1.9
69.03422	1.2
69.07069	1.2
71.08620	6.1
72.16167	1.2
72.59368	1.3
81.03393	2.0
81.07059	2.5
83.08610	3.0
85.10170	2.3
95.08593	5.8
97.02895	9.7
99.04465	3.2
127.03876	2.2
223.13268	1.5
239.23737	6.6
247.02411	1.3
280.30420	1.4
282.32260	1.4
285.17096	2.0
303.18518	2.9
319.19861	1.7
337.20493	5.6
346.48932	1.5
397.92682	1.4
399.05609	1.7
401.26584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37463	0.9
58.06580	1.1
60.05646	8.8
60.87023	0.9
69.07080	1.0
70.06600	16.4
72.08167	1.3
73.39578	0.9
78.48242	0.8
86.09708	71.7
95.29994	0.7
108.48534	0.8
112.08724	5.2
114.10326	1.3
115.08684	6.3
116.07094	10.3
117.44781	0.9
130.09795	3.9
138.02731	0.9
151.08154	0.9
156.11311	12.3
157.10828	0.9
158.09280	11.1
175.11894	38.7
192.14720	0.9
199.18048	10.8
227.17476	1.1
228.42122	0.9
271.17563	6.8
280.38934	0.8
288.20334	2.0
401.06439	6.9
401.28705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
54.60234	4.2
55.05518	20.5
57.03441	6.7
57.07088	97.4
62.23349	4.3
63.70462	4.8
67.05509	40.5
68.29601	5.0
69.03426	55.4
69.07063	35.0
71.04990	7.2
71.08637	80.3
73.77591	5.3
76.00166	4.5
79.05492	5.6
81.03421	100.0
81.07059	56.4
83.08646	37.3
85.02913	95.0
85.10191	52.0
91.97309	5.2
93.07029	6.8
95.08625	75.4
97.02892	49.9
97.10173	21.1
99.04462	18.4
105.07024	9.6
107.08607	5.4
109.02884	25.9
109.10153	42.2
111.11733	8.4
123.11723	8.4
127.03932	32.6
133.10178	6.4
137.39619	5.3
145.04988	6.0
153.37167	5.1
166.26932	5.0
213.23938	8.6
239.23698	68.2
319.20868	6.1
383.28226	29.0
384.94186	5.7
401.28717	48.2
401.34253	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.2
56.74009	5.3
57.07088	96.7
65.87461	5.7
67.05515	40.3
69.03430	54.1
69.07083	15.8
71.08627	75.4
81.03423	59.9
81.07049	57.7
83.08630	12.6
85.02921	50.5
85.10192	45.5
90.64243	6.4
92.21592	6.8
93.07034	7.2
95.08596	73.2
95.35548	5.9
97.02945	23.1
97.10175	8.5
99.04487	8.1
105.07012	7.4
107.08624	9.5
109.02909	33.5
109.10155	54.3
111.67400	7.9
112.96419	7.7
123.11728	26.7
127.03952	35.2
146.64801	6.6
149.09590	15.7
163.11205	9.4
163.80893	7.6
165.09123	100.0
177.09081	10.6
191.10680	7.7
239.23776	65.3
239.25867	6.7
383.27884	36.4
401.30261	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.0
57.03431	7.8
57.07080	100.0
62.65842	8.1
65.50288	8.0
67.05507	19.4
69.03416	66.2
69.07047	14.2
71.08633	78.0
81.03407	46.2
81.07044	48.7
83.08629	15.0
85.02892	38.7
85.10183	40.1
95.08604	82.2
96.91814	8.9
97.02890	93.2
97.10159	16.3
99.04431	11.2
105.07028	9.6
109.10131	18.0
121.06485	17.8
122.06820	10.2
124.32123	10.1
127.03917	51.2
152.94173	9.0
239.23642	78.0
282.30927	9.2
283.43231	12.4
374.59399	9.7
383.27823	54.2
401.16074	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.3
55.79119	2.5
56.84720	2.5
57.07084	100.0
60.56204	2.7
63.76828	2.8
67.05506	28.5
69.03415	22.0
69.07066	16.6
71.08638	65.2
72.28954	2.8
77.02113	2.8
81.03426	24.9
81.07052	42.6
82.80104	2.7
83.08613	26.6
85.02913	20.2
85.10188	45.6
95.08614	69.4
97.02892	13.1
97.10162	18.8
99.04440	7.5
109.02873	12.2
109.10177	27.9
122.53521	3.5
123.11678	15.2
126.42628	2.9
127.03911	23.5
127.04743	2.9
137.13231	4.7
145.04955	11.4
190.29623	3.0
239.23669	69.6
257.64276	3.0
383.27975	27.3
401.29141	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.3
57.03439	4.1
57.07084	100.0
61.02953	3.8
67.05513	30.7
69.03428	9.3
69.07081	28.6
71.04979	3.4
71.08633	87.9
73.87246	4.7
79.05482	9.4
81.03437	14.9
81.07059	64.6
81.83790	3.4
83.08633	34.2
83.09087	3.6
85.02917	35.3
85.06525	4.8
85.10180	48.2
91.05475	5.0
93.07050	6.9
95.08609	70.7
97.02885	25.4
97.06509	5.0
97.10165	19.3
99.06407	4.2
99.08160	4.0
107.08572	7.4
109.02853	5.8
109.06535	4.3
109.10139	46.9
111.08158	4.8
119.08636	5.3
121.06419	4.6
123.11682	6.1
127.03893	19.7
131.08528	4.1
133.10156	15.1
135.08064	4.7
135.11690	5.7
137.13271	8.0
137.85185	4.4
145.04959	5.5
145.10077	7.1
147.11630	6.2
200.53223	3.7
223.16945	7.7
238.38445	4.2
239.23685	94.1
241.17950	19.5
257.17343	18.6
319.00955	4.4
319.21219	21.4
337.22318	8.2
347.25586	6.7
383.27914	17.1
401.29245	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10801	6.1
54.54415	5.6
54.76963	6.0
55.05532	8.9
55.41040	5.8
57.06853	7.4
57.07085	100.0
64.62900	6.4
67.05496	30.5
67.89208	5.8
69.03432	43.4
69.07068	10.4
71.08629	62.6
71.69585	6.9
76.48264	6.5
81.03420	46.0
81.07044	33.6
83.08632	13.4
85.02924	53.4
85.10186	40.1
95.08630	72.8
97.02885	17.0
109.02872	29.8
109.10131	29.7
123.11713	6.8
127.03930	39.0
145.04961	9.4
174.26308	7.9
181.91907	7.9
226.19292	8.7
239.23695	66.1
383.27866	14.0
401.28778	31.0
401.34311	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	9.0
56.28350	7.2
57.07081	100.0
59.36211	7.2
61.85526	8.3
67.05499	38.6
69.03417	13.5
69.07084	19.1
71.08633	99.9
81.03414	12.1
81.07060	57.6
83.08611	39.1
85.02901	34.2
85.10179	53.9
93.07126	8.5
95.08613	82.1
97.02876	12.1
97.10144	9.2
104.69939	7.5
109.02866	12.9
109.10155	17.1
127.03918	10.6
131.30875	8.6
137.13170	9.0
145.04955	15.0
150.24632	8.7
239.23701	81.9
274.38989	9.6
383.27844	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09690	5.5
57.07080	70.4
64.27660	5.8
67.05510	12.3
68.06461	7.2
69.03450	8.1
69.07059	15.0
71.08646	65.9
74.58611	7.5
81.07061	47.7
83.08611	13.8
85.10176	28.2
95.08601	39.5
97.02895	86.0
99.04456	26.9
100.55971	7.8
103.35090	7.5
109.10148	12.1
123.11713	7.7
127.03914	46.0
151.14780	7.6
232.95320	8.5
239.23662	100.0
245.59773	8.4
305.41916	7.7
337.20541	10.0
390.92038	7.9
401.28543	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0607
Annotation	Dithiopyr
Peak:m/z	Relative Intensity
53.77816	0.9
57.80570	1.0
61.70615	0.8
67.27837	0.8
70.13412	0.8
81.03421	2.0
89.36115	0.9
91.69229	0.8
94.48827	0.9
109.07372	0.9
180.91844	0.9
271.15503	1.1
356.05450	1.5
360.04913	1.3
361.08694	1.3
384.04993	91.3
385.55585	1.1
402.06042	100.0
426.16876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.082
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	0.7
70.30862	0.8
71.38479	0.8
74.60590	0.6
102.58958	0.8
121.06499	5.8
122.71371	0.7
124.26098	0.7
210.58257	0.8
218.69157	0.9
219.81216	0.8
224.07040	25.0
225.07715	11.7
228.06564	1.1
239.09404	4.7
240.10088	1.6
253.07329	3.0
254.08060	6.9
256.06122	0.9
257.06750	10.3
268.09500	3.1
269.06921	6.3
270.07590	10.9
280.05899	1.4
281.07101	1.0
282.07510	5.9
282.10782	1.1
284.09167	36.5
286.06879	1.4
296.05435	3.6
296.09073	3.5
297.06271	3.1
298.07101	26.7
298.10437	1.0
301.05817	4.1
308.05695	1.2
312.08685	20.3
325.05801	1.1
326.06558	4.2
328.08023	1.9
340.08160	33.0
342.06036	6.1
356.07642	15.0
384.07013	15.7
402.08093	100.0
402.19360	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25030	0.5
59.54678	0.4
60.36859	0.4
63.18196	0.4
71.12817	0.4
80.21397	0.5
86.09761	0.9
100.11849	0.5
114.47449	0.5
121.06576	2.0
164.57091	0.5
175.16708	0.5
241.64349	0.5
250.24068	0.5
319.93723	0.5
329.73062	0.5
330.07648	1.1
354.07523	0.7
356.09183	11.4
358.07019	2.1
361.08554	0.6
382.07117	2.6
384.08664	100.0
402.09720	72.1
422.51556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60963	0.3
59.51033	0.3
61.15551	0.3
71.08568	0.3
89.49249	0.3
128.07608	0.4
212.79967	0.3
281.60934	0.4
315.08960	0.5
342.13397	1.4
343.08484	1.8
344.09000	0.5
354.01651	0.4
356.09171	2.9
358.11053	0.4
366.07861	0.6
370.07138	1.6
370.12766	0.6
371.07822	11.9
372.08719	3.8
374.10193	2.5
384.08740	4.6
402.09683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78883	0.1
54.09303	0.1
58.06604	0.3
60.31004	0.1
60.88724	0.1
65.86436	0.1
70.06573	0.2
85.02920	0.3
87.04467	0.1
125.27438	0.2
137.06015	1.1
146.05998	1.6
150.45247	0.1
154.08549	0.1
159.06712	0.2
160.07507	0.2
199.33723	0.1
212.10605	0.2
222.09158	6.4
222.11189	0.4
223.07574	0.2
227.04271	0.2
236.07010	0.3
240.08029	0.1
240.10236	4.0
240.12332	0.7
241.08588	0.3
250.08649	3.9
251.09392	3.4
252.06534	0.3
253.07364	0.8
266.07938	0.2
267.08853	1.6
268.09671	100.0
270.11246	0.2
370.14120	0.2
402.11423	5.9
402.15759	1.1
406.79910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75634	1.5
58.06591	3.1
69.71513	1.6
77.28888	1.5
85.02947	1.9
95.76222	1.6
98.06046	1.8
121.06517	3.3
157.69835	1.8
179.60545	1.5
181.65224	1.4
189.37645	1.6
213.07896	10.7
218.66878	1.7
224.10663	2.6
237.07770	2.7
239.09456	2.8
250.08565	2.1
252.10179	2.1
266.08133	6.6
267.08932	12.7
270.11237	2.0
280.09683	8.4
282.11255	68.1
284.09183	2.9
294.07571	6.5
308.09161	2.7
312.08582	2.4
313.09506	43.3
322.07013	3.0
324.08615	12.6
326.10126	19.2
328.11786	100.0
334.07040	1.9
340.08273	3.1
352.08063	16.8
355.10580	2.8
358.12094	2.2
370.09131	25.9
370.13361	2.2
402.11581	18.3
402.15985	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48310	0.5
73.18739	0.6
83.75383	0.6
86.06038	0.6
86.09685	1.0
127.47726	0.7
142.16344	0.7
163.03864	1.3
185.20816	0.7
208.07538	1.0
213.07831	14.7
214.08667	5.4
224.07042	1.0
225.07698	0.7
228.06715	0.7
236.07028	1.2
238.08496	2.2
240.06520	4.8
240.12201	0.8
244.09650	1.0
254.08012	0.9
266.05243	1.5
266.08096	40.8
270.07568	2.9
270.11206	1.3
273.06537	0.8
281.06656	1.3
282.07477	1.3
284.09158	3.9
292.06003	13.6
294.07571	100.0
296.09076	6.8
310.06836	3.1
320.05505	1.6
324.04941	1.0
324.08673	25.6
338.06628	6.6
352.08112	13.5
356.07568	11.2
356.11566	1.1
370.09354	4.7
402.11752	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71182	0.7
58.06618	0.8
107.04986	1.1
148.07634	0.8
149.06273	1.0
149.07831	0.9
161.06032	3.2
179.40239	0.9
180.07802	1.1
207.03065	0.9
213.07965	4.3
237.07874	1.2
239.09552	1.0
251.09526	1.0
266.08221	1.8
267.09033	3.4
280.09824	3.2
282.11230	27.4
282.14102	1.4
284.09299	3.5
293.07043	1.1
294.07776	3.6
295.08517	1.4
298.07104	1.2
308.09308	3.1
312.08908	3.5
313.09412	45.6
322.07294	1.0
324.08856	4.1
324.92432	0.8
326.10089	8.8
327.11380	3.6
328.11786	100.0
334.07047	1.1
340.08212	2.8
352.08047	9.4
355.11450	3.2
370.09164	11.1
370.13144	1.3
384.14532	3.8
402.15692	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1545
Annotation	Ceratocapnidine
Peak:m/z	Relative Intensity
54.71182	0.7
58.06618	0.8
107.04986	1.1
148.07634	0.8
149.06273	1.0
149.07831	0.9
161.06032	3.2
179.40239	0.9
180.07802	1.1
207.03065	0.9
213.07965	4.3
237.07874	1.2
239.09552	1.0
251.09526	1.0
266.08221	1.8
267.09033	3.4
280.09824	3.2
282.11230	27.4
282.14102	1.4
284.09299	3.5
293.07043	1.1
294.07776	3.6
295.08517	1.4
298.07104	1.2
308.09308	3.1
312.08908	3.5
313.09412	45.6
322.07294	1.0
324.08856	4.1
324.92432	0.8
326.10089	8.8
327.11380	3.6
328.11786	100.0
334.07047	1.1
340.08212	2.8
352.08047	9.4
355.11450	3.2
370.09164	11.1
370.13144	1.3
384.14532	3.8
402.15692	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.4
62.11209	0.4
70.06576	0.5
71.52483	0.4
72.36031	0.3
77.50666	0.4
78.18474	0.3
91.05466	0.5
93.07043	1.9
99.04445	0.6
121.06504	100.0
122.06131	0.4
138.09143	31.6
164.07115	0.4
177.05411	0.4
177.96146	0.4
189.61594	0.4
195.06519	1.9
219.63786	0.5
222.11324	0.6
240.03325	0.5
240.12239	2.0
266.76556	0.4
268.11703	0.5
293.45248	0.4
301.57379	0.5
402.12680	0.8
402.17664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.7
60.05656	7.9
69.03418	0.5
69.27374	0.5
70.02923	0.7
70.06234	0.9
70.06597	18.1
72.08141	0.9
72.74188	0.5
86.09706	46.5
87.05592	2.9
88.03991	3.1
92.21457	0.7
95.06118	0.5
112.08730	9.4
112.89078	0.5
113.07140	1.4
114.10291	0.6
115.08697	4.4
116.07082	9.7
127.07104	0.6
130.09750	3.9
131.11807	1.0
137.06036	0.8
138.09174	0.5
140.04547	0.6
140.08183	0.6
141.06581	0.6
141.10263	1.1
157.07195	6.5
157.10834	1.1
158.09232	12.1
167.40675	0.6
175.11891	29.8
183.11349	7.8
195.07599	2.9
196.07411	4.4
200.13982	0.7
209.10298	1.0
211.10822	2.4
212.10374	3.1
213.08655	0.9
228.13464	2.8
237.09967	0.8
238.08246	5.3
255.10904	6.2
272.13501	6.8
289.16312	2.2
307.38818	0.6
310.07098	1.2
328.08066	0.9
336.04889	2.3
350.18390	1.1
367.21124	0.9
368.19147	0.9
385.21976	2.6
387.09494	1.3
402.12912	5.2
402.24606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	27.0
56.68008	4.5
57.03430	23.0
60.41392	4.6
66.90876	5.5
67.05518	56.2
68.50378	4.7
69.07059	40.1
71.05013	5.4
79.05512	36.6
79.08134	4.7
79.70802	5.9
81.07063	100.0
83.04996	8.5
83.08603	10.8
85.06550	7.4
88.04610	4.6
91.05478	38.6
93.07038	68.2
95.08609	37.9
97.06549	22.7
103.63673	5.0
105.07050	38.5
107.08615	42.1
109.10181	12.2
117.07008	12.8
119.08551	23.8
121.10129	34.2
131.08553	23.2
133.10123	38.5
135.11662	24.9
145.10107	24.3
147.11624	8.3
149.13272	7.9
159.11726	28.4
161.13197	7.6
163.11256	7.9
169.10179	6.2
177.12743	11.6
179.14270	6.1
195.13670	6.1
255.15950	33.5
269.17426	63.5
275.20050	40.1
287.08768	5.8
309.20621	21.0
349.23715	47.4
367.24750	22.4
384.29019	10.0
402.29968	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.03437	8.1
58.88386	1.5
59.81014	1.5
66.90675	1.3
67.05512	39.6
69.03407	1.9
69.07067	12.4
79.05494	17.2
81.07063	40.6
83.05005	2.8
83.08618	5.9
91.05481	8.4
93.07042	23.7
93.69666	1.9
95.04950	3.2
95.08599	18.4
97.06516	2.5
103.05544	2.0
105.07013	12.3
107.04957	3.3
107.08587	16.3
109.02884	2.2
109.10157	12.0
111.08101	2.2
112.43447	1.7
117.07027	3.6
119.08567	10.9
121.06426	3.1
121.10139	11.4
123.04427	8.0
131.08592	8.4
132.84448	1.6
133.10143	12.1
135.11714	10.8
137.05968	9.3
137.09644	2.8
145.06529	2.8
145.10153	3.8
147.11722	1.8
149.05980	14.6
149.13266	7.7
159.11723	3.9
161.05980	7.9
163.11153	2.0
164.07193	1.8
173.05995	7.8
175.07507	8.3
177.12787	3.2
191.73569	1.6
201.04855	1.5
229.14307	6.9
255.15887	24.4
269.17480	26.9
275.20044	16.7
349.23645	15.1
367.25073	3.3
384.28952	100.0
402.30402	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.5
56.22324	1.6
57.07103	3.1
67.05506	16.2
68.35534	1.8
69.07080	4.3
70.06592	11.1
72.04514	9.2
79.05514	17.3
81.07043	15.3
83.08602	2.2
91.05475	25.7
93.07065	17.4
95.08614	16.4
97.10183	2.2
97.95522	1.7
98.06072	13.5
100.07625	10.2
105.07028	20.9
107.08623	8.4
109.10140	4.1
116.07091	100.0
117.07008	8.2
118.08611	2.8
119.08584	27.9
121.10164	8.8
129.06999	3.4
131.08560	13.4
133.10138	16.1
135.07988	3.0
135.11696	3.9
143.08575	8.4
145.10143	8.8
147.11702	3.7
157.10139	7.6
161.13254	3.2
171.11710	10.5
173.13275	2.7
174.13933	2.0
174.15717	2.1
175.14819	2.5
185.13316	7.0
189.16451	2.2
201.16357	2.1
203.17995	15.2
245.22607	2.2
259.24310	2.1
269.22668	8.1
287.23712	27.9
358.92270	2.1
402.30008	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05516	1.3
67.05490	5.8
68.68137	1.1
69.07058	1.9
70.06606	10.2
72.04516	8.3
72.59707	1.3
73.02898	2.3
79.05489	5.6
81.07073	10.4
82.06595	1.4
83.08637	1.2
91.05484	9.2
91.65536	1.1
92.20947	1.6
93.07062	11.9
95.08615	9.2
95.64741	1.3
97.06483	1.5
98.06060	12.5
100.07626	16.2
105.07024	12.7
107.08574	5.7
109.10156	6.2
114.05539	1.6
114.79823	1.1
116.07089	100.0
117.06997	1.5
118.08649	13.2
119.08585	11.1
121.10144	6.7
131.08546	5.8
133.10120	10.9
135.11668	2.3
145.10155	2.7
147.11659	2.7
159.11710	2.6
161.13263	5.3
163.14804	1.6
171.11719	5.2
173.13275	2.4
175.14827	5.3
187.14850	2.9
189.16336	5.7
203.18019	1.6
210.29738	1.4
269.22681	2.7
281.49179	1.3
287.23642	12.8
381.33893	1.5
384.28937	1.7
402.30023	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40322	0.8
55.05518	4.8
56.05042	6.7
57.07074	2.1
57.42213	0.9
58.06616	1.5
60.04527	5.0
67.05507	10.3
69.07077	7.7
70.06594	1.5
72.04520	9.9
74.02424	1.0
74.06088	21.8
79.05496	5.0
81.03434	1.1
81.07066	10.2
83.05043	1.1
83.08631	5.1
84.04488	1.9
85.02843	1.1
86.06064	7.0
88.03995	18.6
88.07635	4.0
91.05479	1.8
93.07041	8.3
95.08596	11.3
96.02857	0.9
96.72126	0.9
97.10162	2.4
98.06078	4.9
100.07661	1.1
102.05547	9.3
105.07050	2.0
106.60970	1.1
107.08611	1.5
109.10130	3.9
116.07093	19.0
118.05014	12.9
119.08582	2.0
120.06593	8.5
121.10168	5.3
123.11716	1.8
135.11751	4.0
144.06549	1.7
157.08720	1.1
162.07591	9.4
179.24605	1.1
245.22569	1.2
250.25328	1.4
263.23743	1.3
264.45401	1.1
282.27869	1.6
292.26501	1.8
308.29535	6.2
310.31097	5.8
320.25964	3.6
320.29489	1.3
338.26895	4.6
338.30621	2.0
354.30154	1.5
356.31757	1.3
366.26190	1.7
384.27048	14.8
384.31326	6.3
402.13269	2.0
402.32196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61229	0.9
55.05503	1.6
58.06601	21.2
60.04517	5.9
60.57586	1.1
67.05506	4.7
69.07062	2.3
70.06591	6.8
72.08160	19.1
81.07046	5.0
82.06553	1.5
83.08620	1.9
83.24802	1.1
84.08128	2.8
88.07613	3.0
93.07026	2.8
95.08617	2.9
96.08127	2.3
97.10155	2.0
100.07619	61.8
100.55913	1.3
101.31998	1.1
102.09179	23.8
104.07093	7.0
107.08607	1.8
114.09141	1.8
116.07088	7.7
116.51427	1.2
118.08639	8.4
121.10183	1.3
135.01566	1.2
139.48592	1.2
145.10080	1.3
146.08125	31.3
199.90778	1.4
215.12004	1.3
302.28128	1.5
338.30548	2.2
356.31686	1.9
366.30035	1.6
384.31107	8.1
402.27048	5.5
402.32092	100.0
426.69443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
56.05022	0.7
56.43410	0.3
57.07077	0.9
58.06608	21.2
60.04531	5.1
67.05519	5.0
69.07065	3.9
70.06596	7.9
71.08621	0.5
72.08159	18.0
73.29993	0.4
74.06092	0.5
77.97067	0.5
79.05502	2.5
81.07054	5.4
81.87791	0.5
82.06586	0.7
83.08620	1.1
84.08137	2.9
86.09705	2.5
88.07638	6.0
91.05488	1.1
93.07073	1.0
94.06548	0.5
95.08611	6.7
96.08143	3.6
97.10154	1.0
100.07623	67.3
102.09185	21.7
104.07113	4.7
107.08565	1.1
109.10147	3.0
112.71932	0.5
114.09170	3.0
116.07120	6.1
118.08646	7.0
119.08587	0.6
119.48244	0.4
121.10154	2.4
122.09657	0.6
123.11676	0.5
130.08667	1.8
133.10213	0.7
135.11725	0.6
142.08617	0.6
146.08128	31.7
158.11832	0.7
262.25137	0.6
276.27487	0.6
280.26385	0.6
280.36334	0.6
308.29422	2.0
320.29465	1.2
338.30392	5.2
356.31577	3.1
366.29926	1.0
384.30960	7.7
402.32153	100.0
403.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.05525	1.6
57.07087	0.8
58.06610	17.4
58.69712	0.6
60.04536	5.1
67.05513	6.6
67.66251	0.7
69.07084	2.7
70.06599	7.7
72.08163	17.0
77.16689	0.6
79.05489	0.9
81.07056	4.8
82.06584	0.8
83.08633	1.6
84.08128	2.3
86.09720	1.4
88.07643	5.6
91.05508	2.3
91.98037	0.6
93.07034	1.5
95.08622	6.1
96.08131	1.5
97.10191	1.6
100.07627	60.6
102.08559	1.3
102.09190	23.6
104.07120	5.6
104.47025	0.6
107.08615	0.8
109.10161	1.5
114.09170	3.4
116.07117	5.6
118.08668	6.4
119.08540	0.9
119.28606	0.7
121.10153	2.6
130.08638	2.8
134.09657	0.7
135.11711	1.0
146.08130	32.2
149.13289	0.8
160.09607	1.0
162.42981	0.6
164.41261	0.6
173.08189	0.9
191.76913	0.7
195.32062	0.7
290.28433	0.7
290.49030	0.7
308.29352	1.1
320.29352	1.0
338.30609	3.6
356.31531	4.0
367.24939	0.8
384.31094	7.4
402.21204	6.4
402.32181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67289	5.2
54.00076	6.5
83.47229	6.1
114.88237	7.0
121.06520	100.0
130.82872	7.9
138.09167	14.3
142.49246	6.8
198.70235	7.9
258.00797	6.4
280.50861	7.9
306.86649	7.5
402.33707	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91660	0.7
57.07072	4.6
70.06600	10.2
70.61323	0.6
71.08640	1.5
74.11849	0.6
74.50619	0.7
76.24707	0.6
77.19453	0.7
78.02830	0.6
83.60789	0.8
83.95477	0.7
88.07634	23.7
94.06557	0.8
102.09182	13.9
132.10268	0.8
146.11766	1.4
164.33914	0.8
236.54138	0.8
284.27475	0.8
296.33276	0.9
315.71417	0.8
340.35739	71.9
353.52417	0.9
378.01859	1.0
384.38300	5.1
388.12756	0.8
402.39410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15974	0.4
53.80866	0.3
54.62222	0.4
57.07086	3.9
58.06604	0.5
58.86161	0.3
63.48571	0.4
70.06248	0.4
70.06595	8.4
71.08625	2.5
72.08155	0.7
88.07629	21.3
102.09188	14.1
104.16901	0.4
125.27620	0.4
132.10182	1.7
141.94685	0.5
146.11798	0.5
150.11240	0.8
161.08598	0.5
198.03784	0.5
296.33182	1.0
340.35733	70.0
384.38297	5.4
402.39398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07091	4.5
57.07306	0.4
64.59109	0.5
70.06592	10.1
71.08623	2.8
77.35788	0.5
81.81759	0.6
88.07633	23.4
102.09180	12.4
132.10228	1.1
134.48569	0.6
146.11755	1.3
185.61154	0.5
200.72346	0.7
296.33142	1.0
340.35736	66.8
384.38403	3.6
402.39401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73371	0.2
58.06602	0.5
63.45058	0.2
67.78069	0.2
69.22034	0.2
76.83147	0.2
81.15812	0.2
126.66809	0.2
160.00511	0.2
175.06871	0.2
194.46315	0.2
263.42563	0.2
271.74326	0.2
290.07974	0.3
292.09747	2.9
318.07660	0.5
320.09171	100.0
381.98807	0.2
403.12463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.3
71.19475	0.2
79.72830	0.2
210.85619	0.3
292.09598	2.8
318.07520	0.8
320.09171	100.0
391.88995	0.3
403.12811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42612	0.2
69.10541	0.3
70.69261	0.3
71.16518	0.2
81.27812	0.3
88.16512	0.3
141.10625	0.3
191.07333	0.3
292.09659	2.9
318.07523	0.5
320.09180	100.0
403.12851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09549	0.3
56.31201	0.3
100.16461	0.3
126.35465	0.3
180.58173	0.3
191.60028	0.3
198.32748	0.3
229.19983	0.3
230.85738	0.3
249.09859	0.3
292.09625	2.6
299.13501	0.3
318.07791	0.4
320.09161	100.0
403.12897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
56.47472	0.2
58.06608	2.9
59.06929	0.4
64.28093	0.2
81.03401	0.4
85.02884	0.4
86.09703	0.4
97.02881	0.3
99.04450	6.5
107.08590	1.0
109.02949	0.2
111.15449	0.3
114.85414	0.3
117.05563	0.3
125.09604	1.4
134.60411	0.3
135.98761	0.2
143.06993	0.4
143.10674	0.6
144.08134	0.3
202.24364	0.3
216.89752	0.2
262.78003	0.3
292.09598	2.8
320.09164	100.0
403.13220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64435	0.2
62.97296	0.2
71.42157	0.2
71.78937	0.2
72.51579	0.2
90.14032	0.3
92.45120	0.2
114.51509	0.3
212.29144	0.3
277.07263	0.3
290.08157	0.4
292.09656	2.8
298.47775	0.3
318.07645	0.5
320.09174	100.0
334.10748	0.4
403.12799	1.2
416.92377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05425	0.1
80.64643	0.1
89.31654	0.1
141.88290	0.1
144.09279	0.1
166.57887	0.1
207.52289	0.2
262.08713	0.2
277.07379	0.2
290.08020	0.5
292.09610	2.9
318.07660	0.3
320.09158	100.0
403.12946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
58.06607	10.4
59.06934	1.8
69.03432	0.6
72.37080	0.3
81.03424	0.5
85.02907	0.6
86.09705	0.6
99.04459	6.3
107.08568	0.6
125.09583	1.9
143.10689	0.7
192.06519	0.5
194.10440	0.4
234.46747	0.3
292.09534	3.1
293.10092	0.5
320.09161	100.0
333.34958	0.4
388.01874	0.4
403.16193	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74249	0.5
53.14325	0.6
72.45024	0.5
88.97058	0.7
91.63057	0.6
99.98769	0.6
161.71956	0.7
169.15102	0.6
178.47435	0.6
217.05095	0.7
316.22675	0.7
319.08325	0.8
334.10632	3.5
342.07455	1.2
344.09280	1.1
345.09134	1.5
357.08698	0.8
358.09756	1.3
359.10260	20.6
366.68625	0.9
371.10437	10.0
373.08157	21.6
387.04630	1.1
387.09750	56.0
388.10535	20.2
403.12915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65276	0.3
58.06603	0.5
58.37857	0.3
59.86324	0.3
61.13578	0.3
66.98299	0.3
72.05815	0.3
83.04978	1.3
99.04437	0.4
111.04442	0.3
111.55668	0.3
117.03379	0.4
117.98690	0.3
119.76138	0.3
121.06580	0.4
122.61182	0.3
124.02386	0.3
126.38612	0.3
127.42885	0.4
145.02837	0.5
148.99905	0.3
162.07260	0.4
177.05536	0.5
200.10231	0.4
219.33896	0.4
224.31697	0.4
231.95967	0.4
251.04195	0.3
403.15753	100.0
425.02924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74028	0.6
61.62585	0.7
70.06615	1.4
72.08160	0.6
73.18210	0.6
76.95261	0.6
83.75541	0.6
86.09702	0.7
98.06059	8.0
99.04466	1.1
116.07097	10.2
127.88931	0.7
153.45622	0.7
176.89726	0.8
197.23686	0.7
202.88324	0.7
228.06473	0.8
242.08092	10.6
256.06009	9.9
295.07983	2.6
341.08606	1.3
358.68802	0.8
385.14474	0.7
403.15723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	0.5
86.09721	2.3
96.64082	0.6
101.23867	0.7
111.31511	0.6
112.46857	0.6
118.50030	0.5
123.46385	0.6
178.18726	0.8
283.11545	3.5
287.11008	7.5
327.10471	1.0
329.12122	2.5
403.15781	100.0
410.68329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54261	6.4
67.05499	7.2
73.06667	6.6
76.22090	6.0
79.05492	14.6
81.07067	33.5
90.89896	6.1
91.05479	12.4
93.07036	29.3
95.08603	13.5
105.07040	26.5
107.08614	16.3
110.60640	7.2
111.04461	9.1
116.96506	6.5
117.07010	9.6
119.08553	11.3
121.06420	7.6
126.02415	5.8
133.10126	9.0
141.39410	6.1
143.08580	34.7
145.10127	36.2
147.08057	12.8
147.11723	6.2
149.05896	6.6
149.09496	8.6
157.10103	29.6
159.11703	30.7
171.11711	14.9
181.10149	8.6
183.11687	12.4
195.11827	7.0
207.11600	12.8
209.65193	6.6
218.68256	8.3
235.14894	13.1
237.12881	6.9
239.14316	6.7
249.16370	16.3
251.14265	15.6
275.17908	13.7
293.18964	100.0
325.21487	70.8
339.23334	6.8
385.23691	16.3
385.28995	11.7
403.16824	14.4
403.24976	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.248
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
51.25422	2.4
51.46304	2.7
53.40844	2.5
53.69947	2.8
55.05521	6.9
56.27269	3.1
57.03435	4.9
67.05514	22.8
69.03421	6.7
69.07065	12.6
75.83804	2.7
79.05504	18.5
81.03414	14.6
81.07066	23.7
83.05006	5.2
85.02889	3.1
91.05481	16.3
92.21499	4.0
93.07038	18.4
95.04967	5.0
95.08617	18.8
103.58495	3.0
105.07035	17.9
107.08614	20.4
107.43727	3.1
109.02882	23.1
109.06548	3.6
109.10139	7.2
110.03960	3.0
111.04441	4.8
117.07037	15.8
119.08599	20.9
121.06521	5.1
121.10170	6.3
121.44221	3.0
127.03921	3.5
127.34334	3.3
127.58167	3.0
129.07040	11.7
131.08582	21.0
133.10104	17.5
135.08069	4.4
135.11723	3.7
137.30861	3.1
141.06914	4.1
143.08559	17.2
145.06540	4.4
145.10109	21.0
145.56938	3.0
147.11708	5.9
149.09698	3.1
157.10170	14.7
159.11671	14.1
161.09576	4.2
169.10095	11.2
171.11700	17.0
173.09714	4.3
173.13268	13.4
181.10164	4.5
181.74252	3.5
183.11809	5.7
185.13287	4.7
195.11810	4.6
197.13419	3.7
199.11270	4.6
199.14861	4.2
275.20172	4.9
325.21667	4.9
339.23148	4.0
349.21399	4.0
357.24561	3.6
367.22821	25.7
385.23663	33.0
385.28973	7.8
403.10043	6.6
403.24924	100.0
403.29636	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56327	1.3
67.05506	2.3
69.57550	1.6
75.21648	1.8
159.26097	1.8
233.77849	1.6
403.10770	2.1
403.25116	4.5
403.29327	100.0
425.80844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56327	1.3
67.05506	2.3
69.57550	1.6
75.21648	1.8
159.26097	1.8
233.77849	1.6
403.10770	2.1
403.25116	4.5
403.29327	100.0
425.80844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
67.05500	3.3
68.77704	0.8
69.03401	0.9
69.07101	0.8
73.02918	0.8
79.05491	3.5
81.07064	1.4
82.97057	0.8
83.08620	5.5
86.06032	0.9
93.07021	1.9
97.10174	10.4
99.04432	3.8
103.05556	0.9
104.07101	0.9
107.04932	1.2
107.08598	12.3
109.02937	1.0
109.10136	2.0
122.70853	0.8
124.11235	6.7
125.09633	14.0
135.08046	10.6
142.12257	11.0
152.10649	6.2
153.09085	5.6
167.07027	1.3
170.11760	27.0
171.10153	1.7
196.13312	1.5
197.11720	14.1
214.14375	100.0
234.20732	0.9
275.27808	0.9
320.09195	3.8
325.67001	0.9
336.12360	3.9
369.46234	0.9
403.13937	3.8
403.25964	4.9
403.31613	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22346	3.8
67.35741	4.1
68.22803	4.0
96.14842	4.8
100.36339	5.0
109.19142	4.3
238.28850	6.2
270.34106	4.6
322.10785	31.5
340.91406	5.6
382.10907	6.1
404.07028	100.0
404.14413	24.9
404.20520	9.8
410.23898	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20699	0.8
59.90149	0.8
61.50480	0.9
92.21506	1.5
99.90086	1.0
100.04099	1.0
106.31283	0.9
117.33564	1.0
166.90771	1.0
196.03745	7.0
360.08310	5.5
364.08051	2.0
404.07373	100.0
404.11804	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44797	2.6
94.57563	2.7
95.08598	2.6
141.98558	3.1
153.94310	3.4
154.68471	3.3
180.04889	2.9
322.10727	71.8
336.11948	3.2
350.06631	3.8
374.06094	5.7
404.07080	100.0
404.14340	17.4
404.20987	13.1
404.27911	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	4.0
67.03462	0.4
116.63646	0.3
130.14101	0.3
166.36923	0.3
175.03896	0.5
191.07320	0.5
197.78685	0.4
207.06647	0.5
216.06563	1.8
220.07530	0.4
228.06619	0.4
256.05978	0.7
277.07608	0.4
279.08875	0.5
291.08746	0.4
292.09650	3.2
320.09180	100.0
322.10623	0.5
372.10901	0.4
386.16458	0.4
404.11255	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79829	0.3
53.53466	0.3
58.06601	1.3
61.70375	0.3
73.31825	0.3
76.11487	0.3
91.60297	0.4
112.07611	0.8
128.28172	0.4
165.06911	0.4
191.07344	0.8
192.08022	0.4
207.06557	0.7
220.07617	0.7
221.08295	0.8
250.08661	0.8
278.08151	0.5
279.08957	0.4
292.09665	2.3
306.07739	0.8
307.08411	0.5
308.08472	0.5
318.07538	0.4
320.09174	100.0
321.09515	8.4
322.10568	0.5
404.11264	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	4.0
67.03462	0.4
116.63646	0.3
130.14101	0.3
166.36923	0.3
175.03896	0.5
191.07320	0.5
197.78685	0.4
207.06647	0.5
216.06563	1.8
220.07530	0.4
228.06619	0.4
256.05978	0.7
277.07608	0.4
279.08875	0.5
291.08746	0.4
292.09650	3.2
320.09180	100.0
322.10623	0.5
372.10901	0.4
386.16458	0.4
404.11255	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	22.2
74.04759	0.3
85.39658	0.4
88.57854	0.4
105.07081	2.4
107.08633	0.7
109.06599	0.7
115.03931	0.5
119.08587	2.9
137.89999	0.4
145.10129	0.6
147.11684	6.5
149.09622	0.4
165.07187	0.5
175.03952	0.5
176.04118	0.4
185.98004	0.4
189.12729	3.9
190.08633	0.5
207.06459	0.4
207.13783	6.5
216.06625	2.6
223.07542	0.7
224.08412	0.4
239.06903	0.7
250.08385	0.5
256.06213	0.6
257.10352	0.5
267.06555	0.8
269.08075	2.1
280.07123	0.7
283.09677	0.6
290.97388	0.4
292.09650	3.1
295.06100	0.5
306.07785	1.4
307.08289	0.6
311.09125	0.7
316.15314	0.9
318.07797	0.7
320.09161	100.0
322.10483	0.7
334.10745	0.5
336.12225	1.6
339.11227	0.6
354.13437	3.2
386.15979	2.6
404.11237	49.2
404.16827	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	22.2
74.04759	0.3
85.39658	0.4
88.57854	0.4
105.07081	2.4
107.08633	0.7
109.06599	0.7
115.03931	0.5
119.08587	2.9
137.89999	0.4
145.10129	0.6
147.11684	6.5
149.09622	0.4
165.07187	0.5
175.03952	0.5
176.04118	0.4
185.98004	0.4
189.12729	3.9
190.08633	0.5
207.06459	0.4
207.13783	6.5
216.06625	2.6
223.07542	0.7
224.08412	0.4
239.06903	0.7
250.08385	0.5
256.06213	0.6
257.10352	0.5
267.06555	0.8
269.08075	2.1
280.07123	0.7
283.09677	0.6
290.97388	0.4
292.09650	3.1
295.06100	0.5
306.07785	1.4
307.08289	0.6
311.09125	0.7
316.15314	0.9
318.07797	0.7
320.09161	100.0
322.10483	0.7
334.10745	0.5
336.12225	1.6
339.11227	0.6
354.13437	3.2
386.15979	2.6
404.11237	49.2
404.16827	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17693	1.5
100.30405	1.5
265.88992	1.5
287.09427	2.9
303.08875	1.5
315.08868	1.7
317.10391	2.7
318.07565	15.2
318.11200	4.6
328.88116	1.3
332.09198	10.3
343.08295	14.7
344.09244	1.7
345.09875	17.2
346.06955	13.5
346.10751	22.0
360.08746	2.7
361.09460	40.5
376.11798	100.0
404.11148	6.5
404.15149	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76554	0.7
67.03349	0.7
76.69501	0.8
92.21522	1.4
160.81203	0.8
171.09729	0.8
186.04189	0.8
269.96658	0.8
343.08371	1.7
346.06934	1.5
359.07706	1.5
360.08652	21.3
372.08582	9.6
374.06573	17.6
388.08139	65.8
389.08841	21.9
404.11191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46973	1.5
83.04975	1.7
105.23071	1.6
108.66326	1.5
167.07010	3.1
181.04878	2.0
191.38350	1.6
294.98407	1.6
304.09592	1.8
308.09189	2.1
314.07663	1.8
325.07132	2.8
334.10779	2.6
342.07562	58.1
343.08389	3.8
354.07474	8.9
356.05414	9.7
370.07101	64.7
371.07895	53.2
374.13690	2.5
386.10159	64.7
388.07703	2.3
404.10709	100.0
404.15356	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10750	0.6
57.07014	0.5
60.96840	0.4
63.39083	0.5
68.65833	0.5
69.15512	0.4
69.77605	0.5
74.49129	0.5
92.76566	0.5
127.74973	0.6
133.58711	0.6
166.53464	0.6
186.81721	0.6
197.38132	0.5
211.79062	0.5
239.32101	0.7
299.53693	0.5
314.08066	2.6
315.08725	4.0
320.09052	1.3
321.09244	0.5
342.07657	5.6
343.08398	37.4
345.06244	2.1
346.03033	0.7
346.07034	11.5
358.07062	10.1
360.08649	35.1
361.09402	10.9
365.48230	0.6
371.07794	2.3
372.08594	4.0
374.06561	16.0
386.10278	6.4
388.07758	2.0
389.08948	10.2
404.11069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45387	0.7
58.06588	1.6
70.06580	1.9
86.09698	1.7
89.74710	0.9
139.46880	0.9
147.97783	1.0
240.10182	2.0
267.08829	6.7
268.09631	6.8
284.09164	61.6
285.10043	3.3
286.10663	5.6
299.08069	4.2
299.11444	38.3
302.10278	2.0
312.08624	21.1
327.10980	37.6
329.08905	1.4
330.09628	13.1
342.13474	6.4
344.11127	1.6
358.12665	1.9
404.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97065	2.3
51.07521	2.2
52.78774	2.3
58.06609	49.7
60.44606	2.8
70.06584	12.1
70.25900	2.9
72.08159	7.2
75.47716	2.6
78.29429	2.6
78.61383	2.7
84.08166	3.3
85.02898	11.5
85.75814	3.1
86.09686	25.5
87.10038	3.8
94.73089	2.6
97.02851	4.6
99.86106	2.7
109.64416	2.9
118.47920	3.2
119.04981	3.9
121.06499	29.4
122.06889	3.3
124.11278	2.8
127.03982	5.0
129.10208	3.2
130.08678	3.8
147.04443	3.3
149.31683	3.2
164.07053	4.9
175.03929	14.1
179.06985	4.1
198.09140	3.3
200.07034	5.0
207.06499	33.0
215.09451	15.4
224.10742	12.2
225.07495	21.2
229.11090	3.5
237.07796	5.4
238.08620	3.7
241.10995	6.5
242.08113	4.0
244.09482	3.7
252.10217	32.7
253.11009	12.2
254.08116	7.0
256.13364	13.2
267.08899	11.8
268.09714	6.0
269.10489	13.4
272.12869	4.0
282.11301	6.4
284.12793	51.1
296.25162	3.0
297.09900	11.1
310.11014	5.7
313.09369	5.6
314.09741	5.5
315.10223	6.3
322.07199	6.1
323.07611	4.4
326.10223	11.6
328.11893	23.2
330.12814	19.3
340.08359	3.6
344.11310	4.1
354.09653	20.0
358.24667	3.3
372.10794	44.5
404.12622	100.0
404.17447	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44792	0.6
58.06610	100.0
67.12542	0.6
67.84915	0.6
193.25087	0.6
226.08609	0.9
258.55106	0.7
282.07562	0.7
300.08701	1.0
316.11746	13.4
341.10306	1.2
372.14261	1.0
404.11981	12.4
404.17825	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97065	2.3
51.07521	2.2
52.78774	2.3
58.06609	49.7
60.44606	2.8
70.06584	12.1
70.25900	2.9
72.08159	7.2
75.47716	2.6
78.29429	2.6
78.61383	2.7
84.08166	3.3
85.02898	11.5
85.75814	3.1
86.09686	25.5
87.10038	3.8
94.73089	2.6
97.02851	4.6
99.86106	2.7
109.64416	2.9
118.47920	3.2
119.04981	3.9
121.06499	29.4
122.06889	3.3
124.11278	2.8
127.03982	5.0
129.10208	3.2
130.08678	3.8
147.04443	3.3
149.31683	3.2
164.07053	4.9
175.03929	14.1
179.06985	4.1
198.09140	3.3
200.07034	5.0
207.06499	33.0
215.09451	15.4
224.10742	12.2
225.07495	21.2
229.11090	3.5
237.07796	5.4
238.08620	3.7
241.10995	6.5
242.08113	4.0
244.09482	3.7
252.10217	32.7
253.11009	12.2
254.08116	7.0
256.13364	13.2
267.08899	11.8
268.09714	6.0
269.10489	13.4
272.12869	4.0
282.11301	6.4
284.12793	51.1
296.25162	3.0
297.09900	11.1
310.11014	5.7
313.09369	5.6
314.09741	5.5
315.10223	6.3
322.07199	6.1
323.07611	4.4
326.10223	11.6
328.11893	23.2
330.12814	19.3
340.08359	3.6
344.11310	4.1
354.09653	20.0
358.24667	3.3
372.10794	44.5
404.12622	100.0
404.17447	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.149
Annotation	18-hydroxyjaconine
Peak:m/z	Relative Intensity
53.35223	0.2
55.16988	0.3
55.51155	0.2
83.36565	0.3
87.53417	0.3
87.93321	0.3
116.72448	0.3
144.22414	0.3
199.85124	0.3
213.89236	0.3
289.11398	0.4
290.11649	1.9
290.47644	0.3
304.09662	21.7
305.10431	4.8
311.81479	0.3
316.09665	0.3
318.11188	5.2
319.11996	9.7
321.09686	0.4
360.12354	0.5
404.14932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78062	0.4
55.22797	0.4
58.06592	0.8
61.02935	0.7
65.07812	0.4
71.46378	0.5
74.51771	0.5
75.04482	1.2
81.03466	0.7
85.02915	6.0
91.05464	2.6
97.02919	1.0
109.02809	0.6
119.04948	9.1
127.03925	0.6
147.04402	12.0
157.04089	0.6
175.03896	52.2
180.08673	3.2
182.57838	0.6
192.04138	7.0
207.06520	100.0
218.75687	0.5
225.07574	44.6
239.07007	1.2
261.87375	0.7
267.06540	2.5
270.05154	0.6
284.06635	0.8
285.07510	2.9
299.08954	0.8
330.13339	1.1
334.07254	0.9
345.10168	1.1
359.11526	0.7
404.11606	4.3
404.16953	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	3.1
68.44837	0.2
69.03438	0.3
70.06555	0.2
70.27193	0.2
71.81925	0.2
74.22134	0.2
75.49270	0.2
79.52957	0.2
85.02897	0.6
91.29823	0.3
112.07621	0.5
118.30226	0.2
119.04944	1.6
147.04445	2.3
152.54352	0.3
154.70436	0.2
175.03903	8.5
186.24931	0.2
192.04156	1.3
199.07823	0.2
207.06522	16.2
207.08484	0.5
208.26067	0.3
225.07549	7.3
230.80640	0.3
285.07504	1.6
292.09756	0.5
293.10040	3.6
295.06195	0.4
306.07526	1.1
319.07907	0.4
320.09164	25.2
321.09497	100.0
404.12552	2.5
404.17163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	71.1
67.99025	1.2
69.03424	2.0
74.74686	1.1
75.45591	1.1
85.02906	16.6
89.44682	1.1
95.04986	1.3
97.02908	2.4
119.04944	6.5
123.04467	1.3
127.03926	2.9
145.02863	5.7
145.04945	5.1
145.88365	1.4
147.04401	10.3
175.03893	44.7
177.05426	10.3
180.08664	7.2
192.04173	7.0
192.50815	1.4
193.04958	1.9
198.09160	1.5
207.06514	100.0
209.08379	1.5
215.09431	10.2
224.10757	2.2
225.07581	52.7
237.07841	5.1
238.08636	2.0
252.10286	13.6
253.10974	6.1
254.08095	5.2
256.13342	7.4
267.08920	3.2
268.09668	2.5
269.10425	7.9
272.12936	1.9
282.08026	1.4
282.11227	2.2
284.12778	38.8
294.07529	1.8
295.08636	2.7
296.09058	1.6
310.10931	4.7
313.09473	1.6
315.11047	5.2
316.11685	9.3
322.07251	2.9
326.10199	12.5
328.11823	17.7
330.13403	6.1
340.08069	2.8
354.09766	15.8
372.10727	26.7
404.13290	58.2
404.21384	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23458	0.7
57.03447	1.7
57.08918	0.9
59.04984	0.8
68.23661	0.8
69.03435	12.3
80.96520	1.0
83.05016	0.9
84.08160	1.2
85.02921	11.3
87.04474	11.9
97.02892	11.4
105.07006	1.2
110.06041	100.0
113.28642	0.9
115.03920	8.7
127.03933	1.9
131.04921	1.8
133.04942	5.5
133.06508	7.1
137.05952	4.7
154.04968	4.6
165.09081	5.3
190.01276	0.9
207.14252	1.0
223.43956	0.9
272.11252	19.3
272.82849	1.0
284.09088	2.0
312.08847	1.1
330.09659	1.3
404.14404	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33697	1.3
58.06610	100.0
58.25702	1.3
59.69404	1.2
79.05476	5.9
81.03403	2.9
81.07063	13.3
85.02912	5.7
90.05554	2.1
94.06565	1.7
97.02914	2.5
98.06041	2.4
99.04476	2.1
102.05584	2.2
110.06016	1.5
121.06479	2.1
124.07581	1.8
125.04736	34.3
125.05994	14.4
127.03936	2.6
134.05994	2.7
136.07587	13.6
138.05522	2.3
144.06561	3.2
148.77104	1.3
152.07077	14.9
153.05479	5.5
168.06564	2.0
170.08168	2.9
180.06557	8.4
188.09152	1.7
198.07611	13.4
203.71053	1.5
240.31314	1.7
245.10522	8.5
251.07004	6.1
283.09641	7.1
361.12811	6.2
368.13397	30.5
386.14389	28.7
404.17252	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.1
58.13245	0.7
76.30259	0.7
81.07069	1.0
85.02896	6.5
97.02880	1.1
106.79842	0.9
119.04935	8.8
125.69971	0.9
137.59428	0.8
144.06534	0.9
145.04939	1.5
147.04402	13.4
175.03897	52.4
180.08669	1.6
192.04192	8.0
200.13995	0.8
207.06520	100.0
225.07561	44.3
243.69441	0.9
375.25830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37732	1.2
58.06318	2.5
58.06610	76.8
62.07859	1.1
65.91518	1.1
70.06605	1.1
83.66172	1.1
92.21519	1.4
121.06464	4.8
122.06866	2.1
127.03941	1.7
147.95355	1.0
175.03940	2.9
176.16821	1.3
207.06548	7.3
225.07561	6.0
281.10541	2.7
284.09283	2.0
284.12689	1.8
300.08585	2.3
314.14197	1.3
315.11038	50.4
316.11896	9.8
330.13348	100.0
360.10693	1.4
386.15668	2.1
395.68634	1.3
404.12814	15.3
404.17416	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1701
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
54.92410	0.5
58.06605	66.4
65.82669	0.6
70.06622	0.5
71.07357	0.5
72.04519	8.2
74.06081	0.9
92.21473	0.5
144.07559	0.6
173.05890	0.7
185.07628	0.6
190.08638	1.3
199.07590	2.7
205.11014	4.2
211.07489	0.9
229.11061	3.0
239.07083	2.7
256.09598	7.2
257.08112	1.0
267.06516	11.7
269.08240	1.1
271.09653	0.6
281.08051	7.8
284.06873	0.8
286.79245	0.6
287.09256	2.4
298.10709	2.1
299.09048	9.0
310.10828	0.7
317.12390	0.6
327.08627	9.9
329.09738	4.3
330.13309	5.0
344.11191	0.8
344.14987	0.7
345.09601	0.9
357.12201	1.2
372.14331	9.7
404.17114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	10.3
58.31734	1.3
70.06596	57.3
75.04093	1.3
75.04484	38.4
78.19904	1.2
81.03410	2.7
81.07060	1.7
85.02882	3.4
98.77047	1.3
99.04426	1.4
109.02880	6.5
112.07604	100.0
116.07063	1.8
127.03948	1.8
140.07065	26.0
144.06540	1.6
147.11674	2.0
158.08095	12.5
189.12730	2.0
207.06621	2.4
207.13799	3.3
211.07542	10.3
212.08342	7.5
223.07518	6.1
227.06973	3.1
239.07040	30.7
240.07822	2.8
241.04930	10.0
241.08598	3.1
254.09424	1.8
255.06610	2.1
256.07208	7.6
257.08133	14.4
267.06482	41.7
270.05234	10.0
271.09668	9.2
284.06793	24.7
284.11209	12.2
285.07516	50.6
285.10464	2.8
299.09088	15.1
302.12445	8.4
309.07388	1.7
327.08618	8.4
330.13358	20.8
359.11069	10.3
368.17090	2.6
404.16962	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	10.3
58.31734	1.3
70.06596	57.3
75.04093	1.3
75.04484	38.4
78.19904	1.2
81.03410	2.7
81.07060	1.7
85.02882	3.4
98.77047	1.3
99.04426	1.4
109.02880	6.5
112.07604	100.0
116.07063	1.8
127.03948	1.8
140.07065	26.0
144.06540	1.6
147.11674	2.0
158.08095	12.5
189.12730	2.0
207.06621	2.4
207.13799	3.3
211.07542	10.3
212.08342	7.5
223.07518	6.1
227.06973	3.1
239.07040	30.7
240.07822	2.8
241.04930	10.0
241.08598	3.1
254.09424	1.8
255.06610	2.1
256.07208	7.6
257.08133	14.4
267.06482	41.7
270.05234	10.0
271.09668	9.2
284.06793	24.7
284.11209	12.2
285.07516	50.6
285.10464	2.8
299.09088	15.1
302.12445	8.4
309.07388	1.7
327.08618	8.4
330.13358	20.8
359.11069	10.3
368.17090	2.6
404.16962	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	10.3
58.31734	1.3
70.06596	57.3
75.04093	1.3
75.04484	38.4
78.19904	1.2
81.03410	2.7
81.07060	1.7
85.02882	3.4
98.77047	1.3
99.04426	1.4
109.02880	6.5
112.07604	100.0
116.07063	1.8
127.03948	1.8
140.07065	26.0
144.06540	1.6
147.11674	2.0
158.08095	12.5
189.12730	2.0
207.06621	2.4
207.13799	3.3
211.07542	10.3
212.08342	7.5
223.07518	6.1
227.06973	3.1
239.07040	30.7
240.07822	2.8
241.04930	10.0
241.08598	3.1
254.09424	1.8
255.06610	2.1
256.07208	7.6
257.08133	14.4
267.06482	41.7
270.05234	10.0
271.09668	9.2
284.06793	24.7
284.11209	12.2
285.07516	50.6
285.10464	2.8
299.09088	15.1
302.12445	8.4
309.07388	1.7
327.08618	8.4
330.13358	20.8
359.11069	10.3
368.17090	2.6
404.16962	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52709	0.8
58.06606	100.0
58.85742	0.8
74.75031	1.0
81.61143	0.9
84.08169	1.1
208.71176	1.0
224.06966	1.9
225.07764	1.9
254.08015	2.3
281.06992	1.2
282.07611	7.0
284.09140	2.0
298.07104	4.7
298.10501	1.1
300.08713	1.8
310.07047	5.0
314.10202	1.8
316.11810	9.6
326.06665	4.9
328.08206	1.6
341.10120	2.2
372.07095	1.9
372.14444	1.6
404.09579	13.8
404.16550	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1705
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
56.52709	0.8
58.06606	100.0
58.85742	0.8
74.75031	1.0
81.61143	0.9
84.08169	1.1
208.71176	1.0
224.06966	1.9
225.07764	1.9
254.08015	2.3
281.06992	1.2
282.07611	7.0
284.09140	2.0
298.07104	4.7
298.10501	1.1
300.08713	1.8
310.07047	5.0
314.10202	1.8
316.11810	9.6
326.06665	4.9
328.08206	1.6
341.10120	2.2
372.07095	1.9
372.14444	1.6
404.09579	13.8
404.16550	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1703
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
57.40542	0.8
58.06314	2.2
58.06606	60.8
61.73469	0.9
62.85442	0.8
70.06596	0.9
72.04520	5.0
74.06089	0.8
76.47662	0.9
76.48455	0.8
80.05249	0.8
84.08909	0.8
85.02911	6.8
91.05515	1.4
93.03467	0.9
97.02879	1.8
104.46450	0.9
112.07655	1.1
119.04925	8.2
121.06502	0.9
124.24090	0.9
127.03896	1.0
145.96536	1.0
147.04369	10.8
157.03964	1.1
175.03883	43.2
180.08528	1.3
192.04237	6.0
199.07599	1.2
205.11041	4.3
207.06512	92.7
211.07626	1.0
225.07544	42.4
239.07086	0.9
267.06534	10.3
268.09784	1.6
281.07980	6.3
284.12888	1.0
287.09055	1.5
299.09158	5.4
300.12390	1.3
312.08841	1.3
327.08603	11.1
328.11557	6.5
329.10333	4.6
330.13440	6.1
345.10153	1.0
372.14386	14.3
385.27277	1.0
404.17087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97330	1.8
56.02510	1.9
58.06617	22.5
58.68731	1.6
75.04076	3.4
75.04481	56.3
78.13297	1.9
81.07047	2.6
85.02898	8.7
99.04427	2.3
123.19205	2.7
131.24919	2.0
144.06546	16.5
151.07364	2.2
175.03880	3.1
200.08292	3.2
206.11691	2.2
207.06490	14.0
211.07552	18.2
221.50388	1.8
223.07478	8.1
225.07542	4.7
227.07085	3.5
239.07014	46.6
240.07800	4.1
241.04965	10.5
241.08536	8.7
252.04169	3.0
256.07336	12.3
257.08087	18.9
267.06491	55.6
270.05252	10.9
271.09586	12.5
284.06839	26.4
285.07581	66.8
299.09158	22.4
327.08652	14.8
330.13376	29.0
334.38623	2.2
359.11340	15.1
404.11752	12.4
404.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88536	0.5
58.25486	0.5
58.41944	0.5
74.44633	0.5
92.21448	0.7
157.06567	0.6
189.13400	0.5
197.12860	0.5
203.58025	0.5
209.03226	0.5
301.98474	0.5
320.09296	2.6
321.09875	2.4
330.11255	3.5
334.10776	3.9
346.10745	12.1
346.14462	1.3
360.12204	16.8
360.15997	12.9
372.15912	4.0
374.13861	14.8
387.16763	0.6
388.15457	17.4
389.16199	16.6
404.18539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40736	0.5
53.54033	0.6
55.54970	0.6
69.57298	0.8
78.92331	0.6
81.07068	0.7
82.94029	0.7
83.01320	0.8
84.50684	0.6
88.34589	0.6
91.05445	0.9
93.07066	0.8
97.34406	0.6
109.10152	1.0
147.97232	0.7
218.96870	0.7
234.74989	0.7
319.96619	0.7
320.09256	3.0
321.09927	3.4
330.11340	1.5
334.10800	1.5
346.10712	22.0
346.14383	1.6
360.12186	12.4
360.16000	12.5
372.16000	4.1
374.13776	13.4
388.15479	16.4
388.20129	1.5
389.16092	15.6
404.18533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1853
Annotation	Ancistrocladeine
Peak:m/z	Relative Intensity
53.11197	0.4
57.16699	0.4
63.12879	0.5
67.05501	1.0
69.03413	2.2
75.72542	0.4
78.88828	0.4
79.05484	0.5
81.03429	0.6
81.07044	0.9
83.04964	0.7
86.09725	0.5
86.94550	0.5
91.05449	0.5
93.07066	3.3
95.08559	0.5
105.07024	13.4
109.10132	0.6
121.06492	6.5
129.05421	0.7
136.06201	3.5
222.47974	0.4
267.12347	0.9
320.09018	0.9
328.09708	3.8
329.10434	7.2
330.11243	4.9
346.10739	0.8
346.14603	0.7
360.12247	65.5
360.15714	4.2
361.13275	0.5
372.15985	1.9
374.13849	15.8
386.24283	0.6
387.17996	0.7
387.40256	0.5
388.15341	4.3
389.16153	2.8
404.18539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.185
Annotation	Ancistrocladeine
Peak:m/z	Relative Intensity
54.22134	0.4
72.56703	0.4
123.94234	0.5
198.86562	0.5
215.80409	0.5
260.94556	0.6
320.09061	2.8
321.10001	1.2
328.09421	0.8
330.11313	3.3
334.10767	3.5
346.10712	18.6
346.14374	1.6
360.12213	19.0
360.16003	12.8
372.16080	3.7
374.13815	14.9
375.14648	0.8
388.15359	19.4
389.16226	13.1
404.18539	100.0
410.06094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26675	0.6
63.07684	0.8
66.97256	0.7
68.64799	0.7
84.15196	0.7
85.13142	0.7
88.07661	1.2
109.10208	1.6
119.74166	0.7
133.07729	0.9
165.50467	0.8
170.89026	0.8
191.91261	0.9
204.67194	1.1
229.14418	3.3
238.18350	1.0
316.09738	0.8
320.09207	3.4
321.09995	3.4
330.11264	3.7
332.12808	1.1
334.10812	1.9
344.79230	1.0
346.10736	24.8
346.14474	2.1
360.12283	14.2
360.16055	12.9
372.15924	4.1
374.13919	19.2
388.15396	21.0
389.16260	14.4
404.18604	100.0
404.29733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.5
58.63623	0.3
68.24148	0.4
74.47247	0.3
97.10110	0.4
121.06516	0.4
149.06024	0.6
164.07074	0.7
169.77490	0.4
199.73749	0.4
209.12645	0.4
278.08090	0.8
292.09683	10.3
304.09677	2.1
306.07535	3.7
315.87518	0.4
320.09186	12.4
321.09933	28.3
323.78830	0.4
336.12280	100.0
359.12811	4.7
363.12479	2.0
386.23605	1.0
404.18762	15.3
404.24203	2.7
411.76611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
58.06599	9.9
59.28363	1.2
59.99357	1.1
66.14619	1.1
69.03445	1.9
69.07051	1.2
70.06595	58.2
77.76475	1.2
81.03430	1.8
81.07042	4.9
85.02912	6.3
95.08591	2.7
105.07033	1.6
109.02866	6.0
109.06487	1.6
112.07603	100.0
116.07076	1.5
118.24879	1.3
119.08556	3.2
121.10092	2.1
123.08037	3.1
123.11673	6.1
125.98632	1.3
127.03892	2.4
129.26422	1.4
140.06003	1.4
140.07077	30.7
144.06581	2.4
145.10074	1.9
147.11708	8.2
149.09673	1.3
158.08151	13.9
164.07053	5.2
175.03886	1.8
189.12749	7.2
207.06502	6.2
207.13829	17.9
211.07585	1.4
225.07767	1.7
242.13892	1.7
266.10291	2.9
267.06464	1.8
269.04269	1.4
284.11224	13.8
285.07465	2.2
302.12177	7.1
345.82928	1.5
404.12982	8.1
404.17426	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
58.06609	3.5
58.62466	1.6
79.05511	1.9
85.02885	2.9
85.06544	7.7
91.05476	4.5
95.08582	3.8
95.54221	1.8
97.54916	1.8
105.07034	35.6
107.08572	8.4
109.06530	12.8
109.63621	2.1
119.08570	49.7
121.10134	12.9
122.61057	1.9
123.08064	11.7
123.11718	1.8
131.08600	4.2
137.09567	6.6
142.54642	2.1
145.10104	16.0
147.11685	83.0
149.09642	9.5
156.09296	2.7
163.11201	8.6
165.12772	7.9
171.11647	3.0
189.12732	45.4
207.13800	81.7
285.07581	4.6
306.07581	3.4
320.09076	22.1
321.09497	100.0
388.07996	2.9
389.08646	3.1
404.11456	11.8
404.16904	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06704	0.4
53.03947	0.4
55.05507	3.0
55.31214	0.4
57.07072	0.5
58.06591	3.3
59.05010	0.5
60.36116	0.4
67.05502	1.2
69.03427	1.1
69.07057	2.2
71.04975	1.9
79.05474	1.1
81.07057	0.7
83.04975	1.9
83.08572	0.7
83.33609	0.5
83.70294	0.4
85.02894	3.2
85.06543	5.5
86.12571	0.5
91.05003	0.6
91.05483	6.8
93.07021	2.7
95.04952	1.9
95.08616	5.4
105.07033	36.3
107.08588	9.2
109.06512	12.5
109.10170	1.9
111.08067	0.9
112.07610	0.7
117.07000	1.0
119.08575	47.2
121.06518	0.5
121.10143	12.9
123.08067	8.9
123.11713	5.0
124.03801	0.4
129.07112	0.6
131.08566	6.4
133.06496	3.1
133.10147	1.1
137.09605	5.9
137.13248	0.8
143.08533	0.9
145.10117	14.0
147.08020	2.6
147.11685	87.2
148.04193	0.5
149.09613	11.5
151.07587	4.5
156.09303	3.7
160.08740	0.6
161.13237	3.3
163.11169	7.8
165.12730	5.9
171.11674	3.8
174.10454	1.2
189.12738	55.8
207.13795	100.0
220.48621	0.5
225.14871	2.4
285.07480	0.8
300.12250	1.0
321.09335	1.1
328.11560	1.0
334.71036	0.5
344.11234	3.9
351.17999	1.9
360.08566	1.2
369.19116	2.6
377.20465	0.6
386.12292	2.0
387.20111	4.4
388.08167	4.0
389.08749	2.1
404.10956	6.6
404.17038	1.1
404.22638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33391	2.0
55.01853	2.3
55.38598	1.9
57.03127	1.8
61.00565	2.0
67.05508	3.9
69.67287	2.1
70.51304	2.0
79.66769	2.4
81.07069	9.3
83.08614	2.2
85.06538	2.3
86.06042	2.7
86.85711	2.4
95.08653	2.4
98.71943	2.4
107.08591	3.7
109.06547	2.6
110.22228	2.0
111.04458	12.3
111.08072	2.4
114.86444	2.2
115.83248	2.4
118.74474	2.6
121.51289	2.6
125.05972	2.2
135.11740	2.6
136.06192	94.9
136.07176	4.0
137.05969	100.0
147.11676	3.9
149.09633	2.8
151.07541	3.0
156.92209	2.4
161.09576	4.7
161.13303	3.1
163.11226	2.8
175.11136	3.9
178.17883	2.5
179.10744	3.5
182.74640	2.2
203.17883	3.7
213.16422	3.4
215.06938	2.3
231.17467	11.2
249.18581	4.9
277.17960	25.4
295.19128	3.6
320.09119	28.7
334.10773	4.8
336.12466	4.0
343.08502	4.1
351.21671	80.0
351.25687	4.7
369.22934	5.1
404.07156	6.1
404.14966	88.9
404.19406	4.3
404.26517	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36584	3.7
55.05503	4.3
55.10675	4.0
56.87325	4.4
57.07074	7.5
60.04526	25.3
64.48925	4.7
66.93471	4.7
67.05510	10.8
69.07078	20.4
74.48830	5.6
80.04977	5.2
81.07069	12.4
94.06561	6.3
95.04998	9.5
95.08600	12.0
96.08120	7.0
106.13326	4.9
107.08632	5.5
108.04475	6.0
109.10141	6.9
110.73865	4.9
115.07559	62.8
121.10050	5.1
122.06049	6.9
124.03890	8.8
126.05545	6.4
138.05521	10.1
150.05501	20.9
158.09473	4.7
160.07564	5.2
162.05586	5.8
166.04944	7.5
201.67328	5.4
218.91743	5.2
264.26901	10.0
282.27948	7.2
342.27856	10.0
360.29031	6.9
386.26801	11.1
386.32416	22.1
404.27908	100.0
404.33621	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12181	2.3
52.70078	2.5
55.05524	12.8
55.25205	3.0
57.03442	16.3
62.96581	2.8
67.05183	3.6
67.05518	68.1
69.07059	19.7
71.05003	6.0
71.08636	20.7
79.05483	15.7
81.03394	3.5
81.07062	42.0
83.08636	24.7
85.06537	3.6
91.05502	6.8
93.07056	30.3
95.04961	5.3
95.08627	29.3
97.10151	16.2
99.04443	13.6
99.08095	7.7
100.04778	4.0
103.03967	4.2
105.07026	19.2
107.08575	18.5
109.10154	75.4
111.08073	5.6
119.08563	15.5
121.10137	5.4
125.09650	5.7
133.10146	6.1
135.11716	5.8
137.09621	5.2
143.10667	4.5
147.11687	6.0
149.13257	4.6
151.11179	17.0
158.08156	4.8
159.11707	5.0
161.13226	5.0
173.11714	27.5
175.14919	4.9
179.14400	4.1
184.35945	3.5
187.13280	3.9
189.11176	3.4
215.97008	3.1
227.12807	13.7
229.14349	100.0
245.13901	4.2
253.03757	4.8
259.20605	5.9
269.17511	29.0
269.19974	3.5
277.21622	21.6
351.25339	61.0
404.17947	15.1
404.33118	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06445	1.8
55.05515	2.7
57.03434	2.3
66.83078	2.3
67.05523	28.3
69.07079	2.8
76.30422	2.0
79.05523	2.7
81.07053	12.4
83.08649	3.5
91.05469	3.4
92.21532	2.6
93.07075	5.3
95.08614	3.9
99.08081	2.5
105.07046	4.0
107.08584	2.7
109.10162	47.5
110.19598	2.4
110.70566	2.4
111.08031	2.7
119.08589	3.1
121.10094	2.9
132.62708	2.1
137.09610	2.9
155.10626	4.3
173.11749	13.7
229.14369	43.8
277.21854	5.2
320.09149	3.0
346.10843	11.7
351.25406	15.0
360.12234	14.0
360.15994	8.3
374.13654	19.9
388.15335	15.2
389.16257	14.4
404.18643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.05513	8.0
57.03444	11.7
59.04997	1.8
62.32772	1.1
63.71249	1.3
64.25851	1.3
64.78599	1.2
67.05506	63.0
69.07076	9.9
71.05005	1.9
71.08624	5.9
79.05497	10.7
81.07046	26.3
83.04962	2.0
83.08619	13.1
85.06506	2.5
87.04455	1.3
91.05484	10.4
93.07047	15.2
95.04961	9.1
95.08604	17.5
97.06490	1.9
97.10159	5.8
99.08051	2.0
103.03945	4.9
105.07027	8.5
107.08593	10.4
109.10155	83.0
111.08068	5.2
119.08574	12.1
121.10124	5.7
123.11716	2.2
125.09631	2.5
130.36609	1.3
131.08516	2.0
133.10152	5.5
135.11693	5.7
137.09589	8.1
139.11171	2.9
140.01863	1.1
147.11705	5.3
151.11172	2.2
155.10663	14.3
159.11801	1.3
161.13173	1.7
161.37050	1.2
165.12746	1.9
173.11705	23.7
173.13179	1.9
189.11212	2.9
209.85612	1.3
227.12717	7.3
229.14339	100.0
231.42055	1.3
239.19716	1.4
245.13837	6.3
259.20535	1.9
269.17441	7.3
277.21588	19.0
351.25259	40.0
369.26123	2.2
386.10217	4.7
404.18164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86943	0.5
55.05520	1.7
55.15861	0.5
56.00199	0.6
56.05035	3.5
56.86930	0.6
57.07072	0.6
58.02951	0.6
58.06608	0.9
60.04533	20.1
62.66483	0.6
63.17435	0.6
67.05522	6.1
68.05022	0.7
69.07076	3.7
70.02955	1.3
70.06585	1.0
72.04521	5.7
74.06086	13.6
78.30733	0.6
79.05498	1.4
81.07060	5.9
82.06566	1.3
83.08624	3.8
84.04510	24.3
86.06066	4.2
87.32206	0.7
88.04002	21.3
88.07680	0.8
90.05558	4.1
91.05499	1.0
93.07043	3.0
95.08604	8.9
97.10148	1.0
98.06046	4.0
102.05547	50.2
104.07105	7.9
105.07027	0.6
106.05032	12.8
107.08589	1.3
109.10134	1.0
112.07634	0.7
112.51525	0.7
114.05512	0.9
116.03407	1.0
117.40398	0.8
118.05000	11.0
120.06574	3.2
121.10146	0.9
123.11712	1.2
130.04999	20.2
132.06595	1.4
144.06534	2.9
148.06047	37.2
322.27539	1.1
333.10089	0.8
338.26788	1.0
340.28427	1.0
368.27948	1.4
386.29099	10.1
404.18729	15.0
404.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86943	0.5
55.05520	1.7
55.15861	0.5
56.00199	0.6
56.05035	3.5
56.86930	0.6
57.07072	0.6
58.02951	0.6
58.06608	0.9
60.04533	20.1
62.66483	0.6
63.17435	0.6
67.05522	6.1
68.05022	0.7
69.07076	3.7
70.02955	1.3
70.06585	1.0
72.04521	5.7
74.06086	13.6
78.30733	0.6
79.05498	1.4
81.07060	5.9
82.06566	1.3
83.08624	3.8
84.04510	24.3
86.06066	4.2
87.32206	0.7
88.04002	21.3
88.07680	0.8
90.05558	4.1
91.05499	1.0
93.07043	3.0
95.08604	8.9
97.10148	1.0
98.06046	4.0
102.05547	50.2
104.07105	7.9
105.07027	0.6
106.05032	12.8
107.08589	1.3
109.10134	1.0
112.07634	0.7
112.51525	0.7
114.05512	0.9
116.03407	1.0
117.40398	0.8
118.05000	11.0
120.06574	3.2
121.10146	0.9
123.11712	1.2
130.04999	20.2
132.06595	1.4
144.06534	2.9
148.06047	37.2
322.27539	1.1
333.10089	0.8
338.26788	1.0
340.28427	1.0
368.27948	1.4
386.29099	10.1
404.18729	15.0
404.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.2
56.39925	2.5
57.03438	20.8
57.07082	3.8
61.02932	3.4
65.40646	2.2
66.30915	2.1
66.52631	2.4
67.05489	3.1
69.07086	23.3
69.14424	2.2
71.08637	44.1
77.77528	2.5
78.99865	2.4
79.47612	2.7
80.02206	2.4
81.07072	15.3
83.08623	17.4
87.02353	3.1
87.08083	3.2
91.05425	2.6
93.07032	3.6
95.08602	19.3
97.10168	11.6
99.08092	48.2
101.87733	2.5
105.06993	3.1
109.10173	6.3
111.11733	4.0
117.05489	94.4
121.10148	12.8
122.79070	2.8
123.11715	5.4
137.13310	4.0
207.21101	3.7
210.75612	2.9
217.19592	4.0
271.22662	12.7
327.25339	37.8
332.35257	3.0
352.38443	3.1
365.11838	3.1
369.26315	100.0
390.23441	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3007
Annotation	Mycestericin C
Peak:m/z	Relative Intensity
54.77620	1.0
55.05527	1.3
55.38553	0.9
56.56705	0.9
58.06592	2.4
58.86979	1.0
60.04528	18.8
60.41926	1.0
67.05506	2.5
69.07076	2.2
72.04518	8.4
74.06090	10.6
79.05479	3.0
79.58185	1.2
81.07066	9.1
83.08604	2.3
84.04499	18.6
86.06068	6.8
86.82778	1.1
88.03989	15.3
89.77908	1.2
90.05562	1.5
93.07056	3.0
95.08622	5.8
97.10181	1.6
98.06079	2.2
102.05544	40.3
104.07119	5.4
104.76330	1.2
104.77045	1.0
105.06100	1.1
105.07051	1.6
106.05038	7.7
107.08525	1.2
109.02879	1.4
109.10145	1.7
118.05016	10.4
119.08617	1.3
121.10129	1.5
130.04991	14.1
132.06578	1.5
144.06570	1.7
148.06046	36.4
160.09506	1.2
253.64531	1.5
257.02460	1.3
308.24258	1.3
338.26437	1.2
386.28925	8.4
404.19080	2.2
404.30075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Mycestericin B
Peak:m/z	Relative Intensity
54.74065	2.2
55.05541	2.5
55.23803	2.4
56.05044	4.6
57.07088	4.3
60.04530	60.7
67.05500	6.1
69.07072	13.5
70.62345	2.4
71.08624	2.8
79.05506	12.2
81.03445	4.3
81.07067	20.7
82.02960	3.1
83.08659	4.3
91.05453	9.6
93.07050	13.3
93.61229	2.8
94.06588	4.0
95.04990	3.0
95.08624	26.9
96.08146	3.1
97.10178	5.4
100.04011	3.9
102.05556	4.5
105.07056	16.4
106.05029	18.4
107.08604	6.0
109.10184	6.2
119.08540	10.7
121.10135	6.2
130.04996	15.3
133.10089	5.8
135.11728	4.5
147.11681	4.0
148.06076	11.4
181.70766	2.8
184.55716	2.8
198.41191	3.4
214.21338	3.2
241.74347	2.9
245.22708	5.7
262.25256	42.5
263.23712	5.6
280.26361	26.6
283.53745	3.0
350.26801	4.0
368.27948	29.3
386.24442	5.6
386.29028	100.0
404.29965	33.6
414.16791	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16121	1.8
51.51584	1.5
51.83493	2.1
52.64921	1.8
53.80863	1.6
54.25464	1.6
55.05513	14.2
55.51854	1.5
56.09735	1.6
57.03441	4.4
58.06591	2.7
58.31234	1.9
58.90443	1.9
67.05511	29.0
69.03433	4.0
69.07063	8.8
71.08657	3.7
79.05484	18.4
81.03435	2.4
81.07072	18.7
83.05013	3.2
83.08625	20.9
86.06081	10.0
86.09715	8.7
91.05474	4.4
93.07037	19.1
95.04962	4.0
95.08588	10.7
97.10171	53.4
99.08061	2.7
105.07018	11.5
107.08611	22.3
109.06557	2.7
109.10149	15.2
111.31833	2.1
117.06963	4.4
119.08597	5.2
121.06492	12.2
121.10158	3.7
125.09631	58.9
132.06580	11.2
133.10143	4.0
135.08060	9.5
135.11694	3.1
138.04073	2.2
145.10103	2.6
147.11705	3.9
149.13240	4.5
151.11172	5.0
153.09111	3.7
161.13322	3.3
171.10146	2.7
171.11656	2.4
173.11732	2.4
182.42352	2.1
189.11194	29.9
194.98042	2.6
227.12788	60.3
241.19328	2.2
245.13884	28.5
277.21552	26.8
319.08444	3.8
320.09021	4.6
334.10800	18.0
351.25275	100.0
368.26114	20.3
369.26474	29.1
386.26761	31.8
404.19031	20.0
404.28168	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50089	0.4
55.05521	0.5
57.07075	2.7
67.05500	1.1
69.07058	0.7
71.08629	2.2
75.12553	0.5
81.07040	0.9
81.76262	0.5
83.08629	1.0
85.10220	0.6
95.08646	1.0
103.05472	2.0
107.04953	0.6
108.89164	0.5
115.57883	0.5
120.08112	100.0
122.70527	0.5
122.71597	0.4
131.04932	2.9
149.05984	2.0
157.12260	0.6
158.12653	0.7
166.08638	43.7
339.13116	0.5
371.59085	0.6
404.31604	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44149	0.5
57.07082	2.3
64.06297	0.5
67.05512	0.6
71.08626	2.6
78.05054	0.5
81.07052	1.2
83.08627	0.7
85.10190	0.9
93.07082	0.6
95.08602	2.8
96.75096	0.5
103.05455	1.4
109.10181	0.6
117.25034	0.6
120.08103	100.0
121.06529	1.2
131.04941	2.5
141.78577	0.6
149.05998	1.1
158.54460	0.7
159.12535	0.6
166.08633	53.6
358.31033	0.9
378.16043	0.7
402.26126	0.6
404.31262	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55647	0.4
51.00846	0.4
55.05515	1.2
57.07073	3.2
58.06608	19.1
60.04533	6.3
65.91410	0.5
67.05488	1.8
69.07075	4.0
70.06595	7.5
71.08620	2.0
72.08157	13.4
75.54367	0.5
81.07046	2.5
83.08619	2.7
84.08156	2.1
85.10174	0.7
86.09699	2.3
88.07629	4.0
93.07044	0.7
95.08604	3.1
95.74227	0.5
96.08135	2.5
97.10180	2.4
98.06017	0.5
100.07619	64.1
102.09183	23.2
104.07095	5.3
107.08566	0.6
109.10125	1.1
114.09164	3.1
116.07098	6.5
118.08643	7.1
130.08669	2.3
142.08565	0.9
146.08118	35.0
160.09665	0.9
212.66006	0.6
247.02571	0.6
282.27917	3.2
292.30002	2.0
294.31470	0.6
304.30026	1.2
310.31033	3.9
322.31091	3.5
338.30621	1.9
340.32120	4.9
358.33063	4.2
363.19211	0.6
368.31607	1.2
386.32590	6.9
404.25037	2.4
404.33691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.03427	0.9
57.07068	2.4
58.06603	17.0
60.04515	6.0
67.05511	1.3
69.07068	2.2
70.06583	6.2
71.08620	1.2
72.08155	14.4
79.05508	1.1
81.07068	2.5
82.06598	1.2
83.08612	4.3
84.08146	2.2
85.10181	1.3
86.09686	2.0
87.79084	1.1
88.07630	4.3
95.08617	3.9
96.08142	2.1
100.07613	55.3
102.09179	18.5
104.07120	4.8
109.10146	1.2
114.09164	2.5
116.07079	4.2
118.08649	6.6
120.68779	1.1
146.07050	2.1
146.08122	31.7
246.62051	1.0
274.06772	1.0
282.27838	2.0
297.11307	1.1
310.31049	1.5
320.25256	1.1
322.31161	4.4
323.55145	1.1
338.30612	1.6
340.31992	4.0
358.33136	4.9
368.31345	1.3
386.32822	4.5
404.33688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49929	0.6
51.83633	0.6
52.44520	0.6
54.55224	0.6
67.05511	1.6
69.15682	0.7
70.78487	0.7
79.05495	1.2
81.07059	2.8
82.30890	0.7
85.06549	1.0
93.07053	1.7
94.07358	1.0
95.08587	0.8
121.10040	1.0
141.23132	0.7
147.59633	0.8
243.72920	0.7
269.17343	1.4
270.17712	6.2
323.02124	5.8
341.03323	10.9
352.25681	3.2
359.04367	100.0
377.05441	37.1
382.05630	5.3
405.18445	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
53.38290	0.7
70.06609	3.0
73.05286	0.7
81.03416	4.7
83.04963	1.2
85.02911	2.1
86.09676	5.1
93.88474	0.8
97.02879	1.7
99.04485	10.7
108.04481	0.9
111.04420	1.3
121.06506	0.8
127.03911	1.8
132.41426	0.8
142.83894	0.8
165.78242	0.9
215.29752	0.8
351.59485	1.0
369.12543	1.6
369.16885	1.5
405.13583	100.0
405.18262	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	9.2
68.47526	0.9
70.06599	1.1
71.15545	0.8
76.45109	0.8
84.04498	5.9
84.08135	1.5
85.02884	1.4
86.09692	1.2
88.03987	11.7
107.04961	12.4
121.06493	6.5
127.03912	1.2
130.04971	1.2
137.05922	1.0
145.06409	1.5
147.02597	1.7
175.02095	9.2
181.03191	1.3
188.07063	0.9
207.04716	16.8
210.05849	6.4
227.89874	0.9
239.05234	2.0
253.08537	1.4
255.04782	1.7
266.09232	1.2
267.04724	21.0
268.10983	10.3
269.06369	2.2
281.06259	1.8
283.11935	2.2
284.04974	7.2
299.07330	17.5
301.08923	35.2
316.10034	2.0
318.07880	1.0
318.11646	4.9
319.08151	2.3
321.09320	1.1
334.10754	8.5
335.11172	1.1
336.11462	6.3
360.12759	1.3
365.05850	1.2
405.14676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	7.6
58.78042	1.2
71.06030	1.3
77.76139	1.2
84.04487	2.7
85.02872	1.6
86.09645	1.3
88.03989	12.1
98.99652	1.3
99.04444	1.7
107.04967	15.3
108.66232	1.2
110.11060	1.2
121.06461	6.1
143.03381	2.0
147.02609	2.4
151.02081	1.9
153.90982	1.3
159.11217	2.3
175.02119	13.7
181.03192	3.0
203.45766	1.4
207.04704	17.7
210.05820	9.0
219.13348	1.7
239.05133	2.5
253.08508	2.2
267.04788	19.0
268.10870	11.8
269.06155	1.7
283.11823	1.5
284.04935	5.5
286.06598	1.5
292.04993	1.3
299.07434	14.9
301.08926	44.5
316.09763	1.8
318.11508	4.8
319.08157	8.2
334.10654	14.8
336.11282	6.6
349.49957	1.8
405.14569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39186	1.0
58.06601	1.4
68.18643	1.1
81.07056	3.1
81.98117	1.6
93.55608	1.2
98.09694	100.0
115.12286	2.0
116.10723	28.6
133.13353	30.1
137.02344	73.8
182.46852	1.4
196.23244	1.3
218.43756	1.4
234.11272	17.7
251.13879	30.1
269.14966	33.7
280.18042	1.7
320.35806	1.3
405.16522	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1652
Annotation	Myxochelin A
Peak:m/z	Relative Intensity
73.89153	0.9
80.87818	0.9
81.07056	2.3
98.09692	100.0
115.12324	6.5
116.10718	34.9
120.11622	1.0
133.13356	34.2
133.86987	0.9
137.02335	75.3
137.03392	2.7
174.44548	1.0
185.31265	0.9
234.11198	13.6
251.13899	32.3
252.12158	3.1
269.14938	35.2
307.28137	1.1
316.25906	1.0
387.15302	1.2
405.16541	52.7
405.21994	1.7
424.47037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1655
Annotation	Myxochelin A
Peak:m/z	Relative Intensity
58.89547	0.5
61.21384	0.5
64.67427	0.6
78.86054	0.7
81.07060	3.8
98.09696	100.0
115.12307	5.5
116.10725	29.2
116.11549	1.1
133.13364	26.7
137.02338	70.2
154.04965	0.7
234.11249	16.4
251.13885	26.8
252.12370	3.0
269.14941	33.8
361.49344	1.0
384.69254	0.6
387.15457	1.1
405.16574	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89547	0.5
61.21384	0.5
64.67427	0.6
78.86054	0.7
81.07060	3.8
98.09696	100.0
115.12307	5.5
116.10725	29.2
116.11549	1.1
133.13364	26.7
137.02338	70.2
154.04965	0.7
234.11249	16.4
251.13885	26.8
252.12370	3.0
269.14941	33.8
361.49344	1.0
384.69254	0.6
387.15457	1.1
405.16574	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43451	0.8
55.01869	1.1
75.23126	1.1
76.43325	1.1
79.05499	1.5
91.05465	1.3
98.85237	0.9
103.05431	1.1
105.07038	4.1
107.04970	8.2
119.04853	1.5
121.06518	3.9
123.04403	1.4
131.04929	8.3
133.06499	6.6
137.05980	11.0
137.64836	1.0
145.06502	1.2
147.04422	5.4
149.05991	5.1
151.07552	2.4
153.05467	1.7
161.05992	12.8
163.07558	13.4
167.07025	100.0
175.07622	2.2
177.08987	1.1
179.07082	6.6
181.08585	4.4
187.07518	1.2
193.08611	14.6
195.06560	1.8
209.08128	1.5
219.10118	2.3
231.07954	1.2
320.09161	1.0
334.10876	1.2
351.39316	1.1
355.15329	8.5
387.17950	4.8
405.15109	10.7
405.19556	2.0
405.23596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00615	0.5
53.03959	0.6
58.06607	23.4
59.06939	3.2
68.84751	0.5
69.03425	0.6
78.04715	0.6
79.05489	0.9
83.04984	0.7
85.02948	0.7
87.04475	0.6
91.05498	1.3
99.04461	3.0
103.05463	3.9
105.07046	3.6
107.04952	8.0
109.06541	0.7
117.07027	0.8
119.04910	1.0
119.08535	0.8
121.06503	4.7
123.04411	3.0
123.08114	0.8
123.46712	0.6
124.05192	0.9
127.07602	0.6
130.06496	0.7
131.04922	6.9
133.03027	0.7
133.06500	5.9
135.08066	2.4
137.06033	2.3
145.06464	1.2
147.04451	1.2
151.07542	2.8
153.05460	0.8
159.07950	0.7
161.05975	7.1
163.07507	11.5
167.07028	100.0
169.98225	0.6
175.03931	0.8
175.07475	1.3
177.09070	1.5
179.07002	1.2
181.04948	1.2
181.08583	4.7
187.07562	2.5
189.08961	0.9
191.07272	1.0
193.08600	14.0
205.08528	1.1
207.06488	0.8
217.06789	0.9
233.11760	1.0
237.11295	1.1
290.08224	2.5
292.09702	1.1
304.05991	2.4
307.08115	0.9
318.07526	2.2
319.08389	9.8
320.09201	20.3
321.09500	35.2
323.12369	1.0
334.10696	19.6
336.12329	4.3
338.13754	1.3
344.09119	0.7
345.10104	1.4
355.15546	7.6
360.12271	3.3
387.18121	5.6
388.11618	2.6
405.11310	10.2
405.15445	12.3
405.18948	1.7
405.23361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1903
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
50.28530	0.2
53.03941	0.2
69.03430	0.2
73.33730	0.2
78.04697	0.8
79.05509	2.0
91.05456	1.2
93.07022	0.2
95.04968	0.4
99.04446	1.6
103.05460	2.5
105.07037	3.4
106.04150	0.4
107.04961	7.0
109.06492	0.5
114.27681	0.2
115.05459	1.2
117.07001	0.4
119.04926	0.5
121.06512	1.6
123.04388	2.1
123.08006	0.4
124.05202	1.2
125.05980	0.4
131.04930	7.2
131.08527	0.2
133.06487	6.2
134.03580	0.3
135.08038	1.5
137.05997	3.6
141.07014	0.3
143.04944	0.4
143.06015	0.3
144.86276	0.2
145.06525	1.9
147.04364	1.6
149.05957	0.9
151.03920	0.3
151.07545	3.1
152.04738	1.6
153.05470	0.4
157.06490	0.3
159.08025	1.0
160.05113	0.2
161.05986	7.8
163.07527	11.3
165.05602	0.2
165.09109	0.4
167.07031	100.0
173.05975	1.3
173.09589	0.4
175.07533	2.0
177.09106	1.4
178.06271	0.3
179.07014	2.5
181.08598	4.1
187.07513	2.2
191.07045	0.3
192.07774	0.5
193.08607	15.5
195.10178	0.4
201.09145	1.1
203.06903	0.3
203.08586	0.3
205.08620	1.2
207.10062	0.9
211.47789	0.2
217.08635	0.5
219.10153	2.2
231.07997	0.3
233.11778	1.0
237.11237	1.1
246.02223	0.2
263.10614	1.0
291.10004	0.5
295.13318	1.0
323.12869	2.0
355.15427	7.5
359.31854	0.2
369.16919	0.3
387.13290	0.4
387.18024	4.8
405.19113	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
59.05120	0.7
74.32225	0.6
77.47955	0.7
79.05497	2.9
91.05532	0.8
92.21515	0.8
103.05459	1.7
105.07036	4.7
107.04967	9.5
109.06482	0.7
115.05491	0.8
117.07008	0.7
117.16982	0.7
119.04970	1.2
121.06515	3.8
123.04430	2.5
123.08157	0.9
124.05202	1.1
125.77193	0.7
131.04944	9.7
133.06499	7.5
135.08003	1.5
137.05983	9.1
139.81758	0.7
145.06499	1.6
147.04396	5.1
149.05983	3.0
151.03914	1.4
151.07547	4.1
152.04662	0.7
159.08073	0.9
161.05986	10.8
163.03935	1.0
163.07512	12.4
163.08707	1.0
167.07030	100.0
173.06015	1.3
175.07552	2.9
177.08998	0.8
179.07040	4.9
181.04959	4.3
181.08607	3.5
183.06569	1.3
187.07471	1.6
193.08617	14.5
201.09084	0.8
203.07065	1.3
205.08679	1.5
219.10182	3.5
233.08061	0.8
233.11679	1.0
236.63501	0.7
252.94942	0.8
267.95547	0.7
270.82629	0.7
318.41739	0.8
323.12576	1.3
330.57748	0.8
355.15384	10.4
387.13840	1.2
387.18069	6.4
405.14926	3.3
405.19171	4.6
406.84341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2244
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.05523	1.0
67.05502	1.0
69.04008	0.9
76.92229	0.8
81.07075	0.9
83.08631	1.1
99.80050	0.8
122.88926	0.8
125.29226	0.9
128.14789	0.9
255.84882	1.0
273.20438	1.6
301.50803	1.0
321.09671	1.1
322.10358	1.6
336.12259	2.1
337.12448	7.8
376.70648	1.0
387.27396	5.0
405.22586	100.0
405.28149	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
55.01873	3.7
55.05512	14.2
57.03437	2.5
57.07072	3.2
66.68240	2.0
67.05508	19.9
69.03438	16.6
69.07062	10.5
78.79051	2.2
79.05505	12.0
81.03424	13.0
81.07072	26.0
81.89832	2.3
83.08614	4.0
85.02894	4.7
91.05486	10.6
93.07039	21.6
95.04965	2.7
95.08581	17.2
97.02895	4.3
99.04444	2.8
104.92434	2.1
105.07047	24.2
107.04957	3.2
107.08585	16.8
109.06545	2.7
109.10168	14.4
111.04468	2.2
117.07013	13.5
119.08577	18.3
121.06499	3.6
121.10139	16.0
123.08034	3.5
123.11697	3.3
129.07018	3.4
131.08559	18.4
133.06500	3.7
133.10117	18.8
135.08043	3.0
135.11691	14.7
136.55052	2.2
143.08582	4.7
144.12555	2.6
145.10133	22.3
147.08099	4.9
147.11713	15.1
149.13271	3.5
157.10129	5.1
159.11650	13.9
162.25873	2.3
169.10121	3.6
171.11667	10.8
173.13260	9.9
175.14824	3.1
183.11778	3.0
185.13280	10.6
187.14729	3.8
195.11806	2.7
197.13286	2.9
199.14822	3.1
201.12698	2.7
207.99747	2.6
209.13290	3.5
217.12198	2.2
277.21762	2.8
303.23065	2.9
315.23267	3.4
315.77933	2.8
327.23007	4.2
341.24573	5.1
345.23795	2.7
351.23306	8.4
369.24146	26.8
387.25198	40.6
387.29471	3.2
405.26248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Lucidone C
Peak:m/z	Relative Intensity
55.05508	5.5
57.03436	3.7
67.05514	22.8
69.03431	6.1
69.07066	12.8
71.04990	3.7
75.83549	2.2
79.05492	16.3
81.03416	13.0
81.07064	31.3
83.05003	4.7
83.08617	4.0
85.06532	4.4
91.05483	14.8
93.07037	21.6
95.04948	6.2
95.08603	26.5
95.09099	2.8
97.02909	3.3
97.06526	2.9
97.10186	3.0
105.07041	24.8
107.08593	17.0
109.10152	14.4
111.04444	3.0
113.06023	5.7
117.07036	4.2
119.08568	17.6
121.06506	2.9
121.10165	15.3
123.08086	2.6
127.03926	3.9
129.06978	3.2
131.08577	16.9
133.10141	17.3
135.11699	11.7
141.06955	4.8
143.08577	6.3
145.10139	24.0
147.11699	10.9
149.09599	4.6
157.10133	6.5
159.07959	3.4
159.11708	11.5
161.13243	5.2
169.10138	4.1
171.07880	2.8
171.11703	5.1
173.13239	4.2
185.13260	4.5
187.14822	3.3
199.14844	4.0
205.16777	2.8
231.24268	2.8
243.13594	3.1
301.21573	3.3
341.24713	3.5
351.23029	5.8
369.24115	24.2
387.25385	33.1
405.26343	100.0
405.34961	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.16039	4.0
53.41259	3.8
55.05524	7.9
57.05226	4.0
61.85435	4.1
63.38387	4.0
67.05503	28.5
69.03415	7.9
69.07072	22.9
78.85314	5.5
79.05494	31.0
81.03401	8.3
81.07059	45.7
83.08635	12.2
91.05474	21.0
93.07045	40.4
95.04976	11.4
95.08624	23.5
105.07041	36.1
107.08601	23.4
109.06492	6.5
109.10163	24.0
117.07019	9.3
119.08573	31.3
121.10138	31.2
123.11753	7.0
129.05489	4.9
131.08588	34.5
133.10127	32.3
135.11690	10.6
143.08569	9.6
145.10121	10.6
147.11606	16.7
149.13182	4.9
157.10147	9.4
159.11702	20.6
161.13235	5.9
169.10057	5.5
171.11726	6.3
173.09508	5.0
173.13310	12.2
183.11630	6.4
231.75560	5.7
369.24200	33.2
387.25259	45.0
405.26169	100.0
405.30362	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2632
Annotation	Lucidone C
Peak:m/z	Relative Intensity
55.01871	3.6
55.05519	20.3
57.03431	4.7
57.14685	4.0
67.05502	27.0
69.03436	9.8
69.07061	22.6
77.09982	4.0
79.05482	9.5
81.03441	10.4
81.07046	37.1
83.08620	18.2
85.50578	3.8
91.05471	22.1
93.07050	30.3
95.08616	39.7
97.10155	5.0
98.98483	27.7
105.07046	17.5
107.08606	30.1
109.10139	5.6
117.07020	10.1
118.89236	4.0
119.08568	17.7
121.10140	23.9
131.08557	18.5
133.10126	18.4
135.11694	6.2
135.16168	4.1
137.23230	4.4
143.08546	7.2
145.10143	17.7
147.11636	5.0
155.01042	48.8
155.08585	6.0
157.10036	4.8
159.11664	18.7
161.13297	4.9
171.11707	8.0
172.14290	4.4
173.13278	7.8
175.14819	6.6
183.11659	4.6
187.14780	5.3
197.13275	4.1
199.14780	5.3
251.23630	7.4
326.18802	4.5
369.24084	24.7
387.25354	40.7
405.26367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12897	2.8
52.34998	3.3
52.76051	3.0
57.07073	13.7
59.81806	3.1
65.68143	3.6
67.05507	5.7
69.07064	16.9
69.08567	3.2
71.04995	4.0
71.08622	22.7
73.01844	2.8
77.55196	2.6
81.07053	5.8
83.08633	4.8
95.08625	4.7
102.37050	3.1
109.10172	75.3
119.97729	3.0
125.37061	3.1
127.11202	100.0
128.79829	3.0
149.02332	90.5
405.29239	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64707	0.7
53.00312	1.3
53.16655	0.6
55.05524	12.8
56.61017	0.7
57.03424	1.0
57.07077	3.4
66.15665	0.8
67.05504	9.9
69.07072	100.0
79.05507	7.8
80.27696	0.8
81.07073	12.9
83.08620	17.7
85.10165	4.6
89.56590	0.8
91.05479	5.4
93.07032	16.1
93.55118	0.8
95.08606	10.2
96.72924	0.8
97.10149	1.1
100.31213	0.8
103.63470	0.8
105.07009	7.0
107.08593	15.1
109.06530	1.1
109.10161	11.0
111.11724	13.8
117.07064	1.5
119.08553	9.9
121.10157	13.3
123.11682	1.5
127.11189	22.7
129.12735	10.0
131.08565	3.9
133.10081	6.8
135.11697	14.7
143.08484	1.2
145.10123	4.0
147.11681	9.4
149.13248	7.9
157.10156	2.0
159.11690	4.2
161.13242	6.9
163.14804	3.5
171.11667	3.9
173.13263	2.0
175.14781	4.2
185.13217	1.6
197.13216	0.9
199.14839	1.3
213.16348	1.2
225.16223	0.9
241.19438	4.4
259.20569	9.4
277.21616	39.3
349.28683	0.9
372.00043	0.9
387.32706	1.4
405.26538	3.8
405.33701	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00214	2.1
97.91747	2.5
167.07108	2.9
199.89851	2.5
348.08514	5.6
406.08859	100.0
406.16959	4.0
412.87140	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25234	1.4
52.52504	1.5
53.25363	1.5
55.46362	1.4
68.21708	1.6
139.63931	1.7
148.36269	1.9
167.06973	3.4
173.16690	1.8
243.87030	1.7
258.97015	2.2
320.08914	7.3
341.07874	2.6
362.09470	3.5
390.08591	3.5
391.13889	2.5
406.08661	100.0
406.16592	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25234	1.4
52.52504	1.5
53.25363	1.5
55.46362	1.4
68.21708	1.6
139.63931	1.7
148.36269	1.9
167.06973	3.4
173.16690	1.8
243.87030	1.7
258.97015	2.2
320.08914	7.3
341.07874	2.6
362.09470	3.5
390.08591	3.5
391.13889	2.5
406.08661	100.0
406.16592	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57558	1.0
58.06606	2.9
59.21652	1.0
62.65424	1.0
62.90766	1.1
76.02219	9.7
76.24919	1.1
79.05493	1.4
83.06115	1.1
84.04497	12.3
84.08145	1.8
85.01147	1.9
99.04458	18.0
113.04237	6.6
129.03670	2.6
129.06598	8.3
130.04987	4.9
131.01616	100.0
142.03249	1.8
156.04767	28.9
157.03191	8.1
162.02168	5.9
167.01573	1.3
174.05827	36.8
181.06075	1.7
185.02646	19.8
192.79056	1.2
240.06833	4.9
258.86304	1.2
259.07489	7.2
260.05869	20.2
277.08527	59.4
285.09128	1.5
331.09531	15.2
406.12845	36.1
406.22278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
58.06594	6.2
69.03451	1.0
76.02232	15.2
79.05499	1.3
83.06124	1.1
84.04503	12.7
85.01138	1.9
85.02898	4.1
88.87649	1.1
99.04462	22.0
112.03956	1.5
113.04241	8.6
114.05565	1.2
116.01682	1.6
121.06470	1.7
123.45343	1.1
126.35488	1.0
129.00023	1.6
129.03760	1.8
129.06610	6.8
130.05016	7.6
131.01625	100.0
141.03690	1.8
142.04967	1.2
142.10451	1.2
156.03490	1.2
156.04767	31.4
157.03154	7.6
162.02214	4.7
167.01587	1.4
174.05830	47.1
175.04286	1.3
185.02701	17.2
188.03796	1.5
213.07932	1.2
214.05266	1.1
214.08623	1.1
240.06723	6.9
259.07510	6.5
260.05835	21.5
260.95428	1.1
277.08514	58.1
285.09073	1.9
331.09537	12.3
390.65717	1.3
406.12405	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57558	1.0
58.06606	2.9
59.21652	1.0
62.65424	1.0
62.90766	1.1
76.02219	9.7
76.24919	1.1
79.05493	1.4
83.06115	1.1
84.04497	12.3
84.08145	1.8
85.01147	1.9
99.04458	18.0
113.04237	6.6
129.03670	2.6
129.06598	8.3
130.04987	4.9
131.01616	100.0
142.03249	1.8
156.04767	28.9
157.03191	8.1
162.02168	5.9
167.01573	1.3
174.05827	36.8
181.06075	1.7
185.02646	19.8
192.79056	1.2
240.06833	4.9
258.86304	1.2
259.07489	7.2
260.05869	20.2
277.08527	59.4
285.09128	1.5
331.09531	15.2
406.12845	36.1
406.22278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36786	0.9
53.43811	0.9
58.06614	14.2
58.47384	0.9
59.06926	1.2
61.76406	1.0
72.08144	1.3
76.02228	14.5
79.08655	1.1
81.08179	1.1
84.04503	16.8
84.08128	1.3
85.01133	2.4
85.02895	2.2
85.66718	1.2
99.04455	16.3
112.07610	2.8
113.04199	5.0
128.07082	1.5
129.03693	5.5
129.06599	7.0
130.04968	5.1
131.01625	100.0
140.51942	1.1
141.03732	1.3
142.03189	1.4
156.04785	32.0
157.03212	8.6
162.02190	5.2
167.01576	2.4
174.05830	41.6
177.05394	1.4
181.04916	5.0
185.02670	19.3
188.03792	1.7
192.70894	1.4
209.04419	1.8
209.08067	6.8
226.35036	1.2
233.05901	1.5
240.06808	6.0
244.11722	11.3
259.07474	6.3
260.05829	19.8
277.08548	68.2
286.10693	2.1
303.13339	1.8
325.95480	1.4
331.09583	16.2
362.20755	5.7
373.01270	1.6
388.15683	2.0
406.12512	31.1
406.17648	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39983	1.0
58.06608	35.7
58.99600	1.2
63.46572	1.0
67.97283	1.0
70.06624	1.7
76.02226	18.3
76.04004	1.2
81.03395	1.5
82.18707	1.1
84.04499	16.3
85.01121	2.4
85.02923	1.2
89.96802	1.3
99.04463	16.3
112.03968	1.3
113.04233	6.6
129.03717	4.5
129.06602	5.9
130.04996	3.0
131.01624	100.0
133.03294	1.8
142.03265	1.4
153.06628	1.9
156.04773	30.9
157.03188	7.9
162.02200	5.3
167.01659	2.3
174.05838	45.3
185.02676	19.6
188.03749	1.9
232.06326	1.4
233.06148	1.5
240.06779	2.1
242.04869	1.6
244.09602	2.3
252.42120	1.2
259.07458	5.7
260.05844	21.5
277.08514	61.0
285.08923	1.9
315.08508	1.4
331.09512	17.5
406.12454	26.9
406.19391	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
58.06594	6.2
69.03451	1.0
76.02232	15.2
79.05499	1.3
83.06124	1.1
84.04503	12.7
85.01138	1.9
85.02898	4.1
88.87649	1.1
99.04462	22.0
112.03956	1.5
113.04241	8.6
114.05565	1.2
116.01682	1.6
121.06470	1.7
123.45343	1.1
126.35488	1.0
129.00023	1.6
129.03760	1.8
129.06610	6.8
130.05016	7.6
131.01625	100.0
141.03690	1.8
142.04967	1.2
142.10451	1.2
156.03490	1.2
156.04767	31.4
157.03154	7.6
162.02214	4.7
167.01587	1.4
174.05830	47.1
175.04286	1.3
185.02701	17.2
188.03796	1.5
213.07932	1.2
214.05266	1.1
214.08623	1.1
240.06723	6.9
259.07510	6.5
260.05835	21.5
260.95428	1.1
277.08514	58.1
285.09073	1.9
331.09537	12.3
390.65717	1.3
406.12405	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06559	0.8
60.62545	0.2
87.06157	0.2
107.53419	0.2
112.99773	0.2
117.66077	0.2
158.29665	0.2
181.25232	0.2
184.07677	0.2
265.07196	0.3
278.08188	0.2
280.09726	2.0
286.24097	0.2
306.07397	0.2
308.09155	100.0
319.07922	0.4
323.10657	0.2
379.15695	0.2
406.12854	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
89.98951	0.5
103.77503	0.5
109.00668	0.5
178.10361	0.6
200.11507	0.6
201.94661	0.5
225.89496	0.5
265.12921	0.5
272.24567	0.6
273.07657	0.5
278.08405	0.6
290.08151	7.9
292.09821	0.6
302.08118	3.1
304.06082	8.2
304.09323	1.0
316.09653	1.0
318.07581	11.9
319.08398	51.4
320.09515	0.6
321.09888	0.6
330.07663	0.7
334.10727	100.0
336.12399	1.1
344.09222	2.5
345.10281	1.9
346.10831	4.9
360.12326	2.8
362.09866	1.7
391.10510	0.6
406.12866	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28251	0.2
58.06595	0.7
63.28572	0.2
74.27785	0.2
92.90176	0.2
93.60312	0.2
137.34406	0.2
153.16727	0.2
259.08850	0.2
262.08731	0.3
278.08215	0.3
286.07852	0.3
287.08221	1.6
292.09628	6.0
304.09717	0.3
306.07523	0.8
307.08231	0.2
318.07504	0.8
320.09164	100.0
321.09937	9.7
322.10312	1.6
336.12283	40.8
346.09979	0.3
360.12009	0.3
361.11829	0.4
374.10352	0.2
406.12787	29.3
406.16769	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69860	1.3
54.91280	1.2
60.33513	1.5
66.35117	1.4
91.45893	1.7
96.05726	1.7
102.84470	1.7
109.09184	1.6
111.60135	1.6
143.04938	17.4
173.05951	13.7
201.05443	29.1
206.08160	2.2
225.73476	1.8
241.82721	1.5
320.08978	10.5
324.12238	2.2
334.10553	2.6
336.11917	2.0
344.09189	18.3
348.08441	10.6
358.06879	2.1
362.09702	3.0
364.11572	3.2
372.08533	3.3
373.09424	12.3
374.09598	2.8
374.13699	9.5
376.11511	7.6
388.11853	15.6
390.09302	3.7
391.09985	7.4
406.12506	100.0
406.16415	10.5
413.91373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33974	0.6
57.93443	0.5
67.89071	0.6
77.16496	0.6
86.14001	0.6
94.81231	0.6
102.29514	0.5
111.74068	0.7
126.12938	0.7
194.18318	0.7
210.38651	0.6
244.53203	0.6
244.87985	0.6
256.19275	0.7
262.11990	0.6
302.11856	0.7
303.09009	1.0
304.09787	3.0
314.07956	0.8
315.08862	0.8
316.09677	3.6
317.10474	0.8
318.07712	0.9
318.11194	2.7
319.08414	2.2
320.09128	0.9
328.09723	6.0
329.10501	5.1
330.07645	5.0
330.11301	3.4
331.08392	3.9
331.12079	2.6
332.09146	21.7
332.12823	1.2
334.10748	3.2
335.11264	0.8
344.09198	5.4
345.09952	3.6
346.10742	35.6
347.11487	10.9
358.07202	1.2
360.12238	9.8
362.10016	1.0
362.13950	13.3
372.08917	0.7
373.09497	0.9
388.12012	2.6
390.09872	0.9
391.10361	1.2
406.12851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09468	0.3
58.06553	3.9
69.45961	0.3
70.06560	0.3
99.04455	0.4
121.06438	1.9
128.07034	2.2
128.35820	0.4
147.04355	0.8
149.05899	0.4
178.08574	0.8
197.01176	0.4
231.32030	0.3
276.83917	0.4
280.09665	2.3
285.07550	1.4
306.07355	0.4
308.09149	100.0
320.09015	0.4
320.18524	0.6
322.10764	2.8
361.41824	0.4
374.16168	0.6
406.12933	31.5
406.18268	2.0
406.22733	2.6
406.27237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1496
Annotation	Isonaamidine D
Peak:m/z	Relative Intensity
52.34775	0.6
55.05508	0.7
58.06609	69.9
70.06558	1.0
72.04516	10.4
74.06080	0.7
85.02908	1.0
137.05995	2.4
139.51866	0.6
156.06612	1.1
164.07065	1.4
227.07127	0.8
239.07108	0.9
240.06526	1.1
244.11911	0.8
249.66315	0.6
255.06586	0.6
267.06476	0.8
269.10553	1.1
285.07480	0.8
297.07434	8.6
299.09210	2.5
300.12265	3.2
301.10635	1.1
313.09485	1.1
314.10260	4.0
325.07297	0.9
327.08621	0.8
328.11749	6.5
329.12589	1.5
343.08020	0.9
346.12979	1.0
360.14731	1.0
362.16064	2.5
388.13879	9.4
406.14969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	18.8
58.14687	1.7
67.59480	1.8
79.94122	1.6
87.04473	32.4
133.69276	1.8
134.06046	2.0
136.07585	47.6
137.05978	100.0
138.44844	1.8
148.07599	9.0
149.08353	17.3
150.09172	8.6
153.05420	2.3
161.09627	2.0
164.07063	11.9
165.07866	7.8
166.08614	18.2
167.07001	9.7
178.08603	3.3
188.10672	1.7
204.10190	15.6
222.11235	69.5
227.09062	3.3
229.08568	7.3
234.11186	8.9
251.11488	2.0
252.12396	16.7
257.10501	2.4
268.09659	2.2
269.07770	2.1
271.09329	2.8
271.11981	25.4
272.12845	7.7
284.12848	13.9
322.07156	14.2
323.07864	8.6
324.11993	1.9
325.12933	4.0
331.06058	11.8
332.06747	18.5
337.09424	3.4
338.10196	43.2
340.15259	3.6
346.08331	23.7
357.15588	22.7
358.16525	31.4
373.06995	12.8
388.17538	68.5
406.10410	87.3
406.18475	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1857
Annotation	N1-hydroxy-roquefortine C
Peak:m/z	Relative Intensity
52.96827	0.9
58.06607	100.0
70.06604	0.9
72.08137	1.4
75.04488	0.8
75.07787	0.9
78.34278	0.9
84.08144	1.1
85.02906	1.5
87.04400	0.9
87.17248	0.8
92.09661	0.8
99.04470	1.3
147.04482	0.9
176.07083	1.0
182.08127	1.1
194.08167	1.3
253.08682	1.3
260.11282	1.1
283.09708	1.6
285.11118	1.3
300.06488	1.0
301.07318	1.4
311.05463	1.1
315.08627	1.9
316.11746	1.9
328.15378	4.8
343.08459	1.6
356.14890	3.5
406.18915	63.8
419.23215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61100	2.0
58.06595	5.4
58.78248	1.8
69.87524	1.8
85.02909	19.7
87.04472	18.4
91.05463	2.5
97.02931	2.8
98.42873	2.1
99.04404	2.5
103.52285	2.1
107.04986	2.4
109.02881	4.1
111.24015	1.9
113.96043	2.0
119.04984	2.6
121.06508	4.5
122.03851	2.0
125.02400	3.1
127.03920	8.3
136.07593	28.1
137.05978	58.1
145.02783	2.9
145.05014	2.7
148.07568	4.0
149.08371	9.3
153.01698	2.2
161.06046	2.3
166.08603	17.3
167.07040	100.0
175.03873	4.5
177.05490	11.9
182.50464	2.2
204.10214	11.4
207.06546	12.3
208.06833	2.7
209.06833	3.0
209.08150	9.8
209.11768	4.0
222.11263	40.5
225.07663	3.4
227.09189	35.5
234.11215	4.2
252.12277	4.7
271.12036	14.2
272.12836	9.5
308.09146	81.4
357.15707	11.4
358.16379	18.7
367.54147	2.4
371.56339	2.8
381.13907	2.4
388.17532	38.3
406.12881	53.6
406.18567	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.186
Annotation	N1-hydroxy-roquefortine C
Peak:m/z	Relative Intensity
58.06611	28.9
58.84282	0.6
60.20472	0.6
64.23681	0.7
68.10362	0.7
70.06626	0.6
82.18945	0.6
114.09080	0.7
121.06554	1.0
123.75899	0.8
147.92436	0.7
186.06927	1.0
201.09164	1.7
201.80254	0.7
209.06024	3.2
209.08026	1.0
213.09145	1.1
214.06245	6.8
218.08176	3.9
223.07544	1.2
229.08591	100.0
237.05420	2.6
241.08588	7.9
243.06624	1.4
251.07149	1.3
253.84952	0.8
255.06581	3.2
258.07346	0.8
269.08096	13.0
279.06653	4.1
287.09079	4.2
297.07513	5.4
301.10831	1.3
311.09204	4.4
314.07913	1.0
322.10809	1.1
329.10141	5.0
342.13361	1.1
361.12790	18.8
374.15894	3.5
406.14505	4.5
406.18716	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61100	2.0
58.06595	5.4
58.78248	1.8
69.87524	1.8
85.02909	19.7
87.04472	18.4
91.05463	2.5
97.02931	2.8
98.42873	2.1
99.04404	2.5
103.52285	2.1
107.04986	2.4
109.02881	4.1
111.24015	1.9
113.96043	2.0
119.04984	2.6
121.06508	4.5
122.03851	2.0
125.02400	3.1
127.03920	8.3
136.07593	28.1
137.05978	58.1
145.02783	2.9
145.05014	2.7
148.07568	4.0
149.08371	9.3
153.01698	2.2
161.06046	2.3
166.08603	17.3
167.07040	100.0
175.03873	4.5
177.05490	11.9
182.50464	2.2
204.10214	11.4
207.06546	12.3
208.06833	2.7
209.06833	3.0
209.08150	9.8
209.11768	4.0
222.11263	40.5
225.07663	3.4
227.09189	35.5
234.11215	4.2
252.12277	4.7
271.12036	14.2
272.12836	9.5
308.09146	81.4
357.15707	11.4
358.16379	18.7
367.54147	2.4
371.56339	2.8
381.13907	2.4
388.17532	38.3
406.12881	53.6
406.18567	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55894	0.5
70.06589	3.3
84.08157	0.6
86.09703	0.7
86.47889	0.6
90.58974	0.5
92.20958	0.8
102.20411	0.6
114.36053	0.5
132.10193	2.8
132.48682	0.7
146.11772	3.7
153.83209	0.5
190.14404	1.0
228.07083	0.6
238.25455	1.8
278.92422	0.6
300.28973	15.6
306.11249	3.4
316.09692	4.9
317.10516	17.6
318.11121	0.9
320.09128	16.4
330.11307	7.5
331.11807	0.9
334.10635	10.0
335.11520	23.3
344.12808	0.7
344.31613	8.4
348.12323	16.4
357.96063	0.6
360.16074	0.8
362.13849	3.3
374.17410	10.4
376.10916	1.0
376.15372	11.7
391.17725	1.1
406.20129	100.0
406.35175	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63829	1.3
58.64177	1.1
64.70694	1.2
67.05489	1.5
68.74055	1.4
79.55097	1.3
95.54575	1.2
95.62813	1.3
95.70523	1.3
116.12687	1.5
125.09605	1.9
138.76523	1.3
149.28183	1.3
185.52411	1.6
334.10709	24.5
362.17468	16.5
374.17398	4.8
376.15308	11.1
390.16962	22.1
391.17752	21.9
406.20139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Ancistrocladinine
Peak:m/z	Relative Intensity
63.55894	0.5
70.06589	3.3
84.08157	0.6
86.09703	0.7
86.47889	0.6
90.58974	0.5
92.20958	0.8
102.20411	0.6
114.36053	0.5
132.10193	2.8
132.48682	0.7
146.11772	3.7
153.83209	0.5
190.14404	1.0
228.07083	0.6
238.25455	1.8
278.92422	0.6
300.28973	15.6
306.11249	3.4
316.09692	4.9
317.10516	17.6
318.11121	0.9
320.09128	16.4
330.11307	7.5
331.11807	0.9
334.10635	10.0
335.11520	23.3
344.12808	0.7
344.31613	8.4
348.12323	16.4
357.96063	0.6
360.16074	0.8
362.13849	3.3
374.17410	10.4
376.10916	1.0
376.15372	11.7
391.17725	1.1
406.20129	100.0
406.35175	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2009
Annotation	Ancistrocladinine
Peak:m/z	Relative Intensity
53.50975	0.5
57.07088	0.9
57.78338	0.6
66.87978	0.5
69.98043	0.6
70.06597	7.7
71.08627	0.7
72.08162	0.9
81.07058	0.7
84.08134	0.7
86.09711	1.4
88.07656	0.9
104.81351	0.7
114.09112	0.7
132.10202	5.8
134.36638	0.7
146.11755	5.5
151.21870	0.6
176.12823	1.0
190.14432	0.8
212.23798	2.8
222.50067	0.7
238.25217	1.5
288.90808	0.7
300.28955	38.9
306.11377	5.2
316.09723	4.1
317.10428	21.4
320.09158	16.0
330.11182	7.4
331.12183	1.0
334.10699	11.7
335.11490	25.9
344.13052	0.7
344.31552	18.5
348.12286	16.5
348.16245	1.3
349.12894	0.8
360.16049	1.2
362.13864	3.9
374.17480	9.8
376.15430	10.2
391.17941	1.5
400.24847	0.7
406.20132	100.0
406.35214	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Ancistrocladinine
Peak:m/z	Relative Intensity
70.06603	0.9
84.65324	0.5
99.74603	0.6
111.27581	0.6
119.01810	0.5
124.38753	0.5
130.48297	0.6
132.10233	0.7
146.11804	1.0
191.49655	0.6
233.98235	0.6
242.84360	0.6
300.29013	6.0
302.07837	0.7
306.11316	4.0
316.09613	5.0
317.10486	16.1
318.11417	0.9
320.09198	17.1
330.11209	7.2
334.10663	10.5
335.11465	22.9
344.31564	2.4
348.12296	17.0
348.16232	1.0
360.15912	1.1
362.13885	3.4
374.17438	10.7
376.15442	10.2
390.16959	0.9
391.17511	0.8
406.20126	100.0
406.35083	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Ancistrocladinine
Peak:m/z	Relative Intensity
73.02912	0.5
92.21524	0.4
147.10178	0.3
160.49330	0.3
161.04457	1.8
210.77101	0.3
231.26334	0.3
334.07040	0.7
334.10782	7.2
336.12357	0.6
348.12299	3.7
349.13071	5.5
358.25967	0.4
361.16589	1.5
362.17419	4.2
376.15240	0.5
376.54968	0.4
378.20630	0.7
390.11804	0.6
390.16977	22.7
391.17783	5.5
406.20154	100.0
406.27524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94141	0.3
72.77349	0.3
104.61106	0.4
106.76444	0.4
115.03881	0.4
133.02965	0.4
146.87570	0.3
146.92882	0.5
149.62085	0.5
153.08981	0.3
161.04520	0.4
185.14064	0.4
190.28470	0.5
206.47359	0.4
334.10666	6.7
336.12543	0.4
348.12164	3.5
349.13080	5.9
361.16797	0.9
362.17499	3.8
362.21365	0.5
378.20563	0.6
390.16965	22.9
391.17755	4.7
405.36203	0.4
406.20154	100.0
413.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Farinosone A
Peak:m/z	Relative Intensity
91.62540	0.5
117.55418	0.4
139.80563	0.5
190.04997	2.5
292.09641	7.5
304.09583	1.1
306.07516	3.2
320.09076	9.4
320.12259	0.6
321.09940	29.2
334.11032	0.6
336.12271	100.0
347.11581	0.7
348.08575	3.1
362.10172	4.9
362.17648	0.7
374.13943	2.2
376.11636	0.6
390.16867	0.7
406.20486	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.201
Annotation	Unknow
Peak:m/z	Relative Intensity
72.34516	0.5
81.53899	0.6
94.46824	0.6
100.11226	0.8
102.05538	2.6
106.60480	0.6
141.00127	0.6
161.04469	0.8
164.37025	0.6
250.06421	0.6
250.26285	0.6
308.12784	0.8
323.11578	0.7
334.10724	7.1
336.12302	9.6
347.12988	1.5
348.12369	3.2
349.13068	5.1
362.17441	5.7
365.14136	3.1
374.17154	0.8
375.07019	1.2
376.15240	1.0
390.16928	21.5
391.17889	5.1
406.20105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02971	0.5
54.85086	0.5
73.84444	0.4
84.82677	0.5
86.09675	0.5
121.06486	1.2
140.14726	0.5
196.11407	0.6
210.35918	0.5
231.64052	0.6
243.48044	0.5
292.09634	7.6
296.11682	0.6
304.09576	1.2
306.07574	3.4
306.11133	0.7
320.09186	12.2
321.09937	28.8
336.12274	100.0
346.14459	1.1
347.11511	2.1
348.08563	5.1
348.12311	1.1
362.10223	8.8
365.12466	0.9
374.13840	4.4
376.11844	2.1
406.16174	16.5
406.20123	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94665	0.5
70.52275	0.5
90.00451	0.5
107.39426	0.6
143.43927	0.5
208.33395	0.5
259.93069	0.6
285.22940	0.6
305.60193	0.5
306.11249	5.4
311.49786	0.6
316.09586	4.3
317.10452	16.4
319.11566	0.6
320.09189	16.1
330.11298	8.9
331.12119	0.9
334.10663	11.5
335.11484	28.3
344.12860	0.6
348.12283	19.2
362.13760	3.9
373.16376	0.6
374.17560	11.9
376.15366	12.0
390.17242	1.2
391.17401	1.0
406.20117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
91.62540	0.5
117.55418	0.4
139.80563	0.5
190.04997	2.5
292.09641	7.5
304.09583	1.1
306.07516	3.2
320.09076	9.4
320.12259	0.6
321.09940	29.2
334.11032	0.6
336.12271	100.0
347.11581	0.7
348.08575	3.1
362.10172	4.9
362.17648	0.7
374.13943	2.2
376.11636	0.6
390.16867	0.7
406.20486	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28386	1.6
55.05504	2.1
56.05037	1.7
57.07070	2.3
60.04525	14.1
63.53770	1.2
67.05505	2.0
69.07059	1.8
70.50550	1.5
72.04509	7.3
72.83786	1.5
74.06078	12.4
78.67797	1.6
79.05485	1.7
81.07030	6.6
84.04501	23.8
86.06058	3.1
88.03963	15.4
93.07033	2.8
95.08589	2.2
102.05526	38.3
104.07069	7.0
106.05000	8.3
114.88419	1.6
118.05003	8.7
124.95353	1.6
130.04959	16.9
148.06021	40.9
167.73410	1.9
182.05698	2.4
294.27768	3.1
298.42877	1.9
306.27585	2.2
312.29132	2.0
337.62717	1.6
365.20624	8.0
388.25629	2.7
388.30463	8.5
406.26950	4.8
406.31439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.3
57.07078	8.0
62.02907	3.4
62.79887	3.8
67.05502	8.2
69.07063	5.9
73.06831	4.3
74.96376	3.7
79.05511	6.5
81.07060	23.5
81.44862	4.1
83.08643	4.5
84.72523	3.8
86.09707	96.4
91.05539	4.8
93.07050	7.0
95.08591	18.8
96.94786	3.7
97.10163	6.1
97.16660	3.6
98.80075	4.6
107.08578	7.9
109.10120	5.8
119.39804	4.0
146.11761	56.0
151.07539	100.0
168.10118	8.2
170.11723	7.2
211.30911	4.1
269.34140	4.4
289.22552	4.5
346.68704	5.2
389.34109	8.9
397.38080	5.2
406.32629	22.8
406.37546	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.4
57.07081	1.3
57.13987	0.7
58.06607	7.5
58.54286	0.7
60.04531	0.7
69.07061	0.7
70.06592	1.0
71.08633	1.3
72.08141	3.3
74.06104	1.2
77.48020	0.7
80.04768	0.7
80.05392	0.7
86.06066	5.4
87.04487	1.2
88.07632	10.4
89.06018	3.7
100.07619	3.2
104.07092	1.5
105.38968	0.8
118.08619	3.8
120.35640	0.9
130.08682	1.2
131.18736	0.8
132.10210	20.1
148.09663	1.5
176.12787	1.3
206.13934	1.5
210.13380	1.4
238.25291	1.2
254.28407	0.9
270.27917	19.6
282.27866	0.9
300.29102	0.8
314.30518	41.5
358.32935	6.4
369.14197	1.0
374.83350	0.8
375.52377	0.8
388.34015	1.1
406.35263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.8
60.76619	0.6
66.64081	0.5
70.06593	13.2
71.08641	2.6
72.08128	0.9
84.08142	2.5
86.09705	2.7
88.07630	8.3
89.06025	1.3
102.09167	4.5
114.09167	2.4
132.10202	8.3
146.11786	8.7
152.10928	0.6
173.08179	0.6
176.12920	1.0
190.14362	2.4
212.23741	3.6
238.25331	1.5
256.26328	30.0
300.28952	54.8
317.10410	0.7
320.09201	1.0
324.14172	0.6
344.31601	21.1
348.12421	1.1
388.34085	2.8
406.20261	10.5
406.35254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.6
57.07074	1.6
57.93393	0.7
58.06600	5.8
60.04518	0.8
65.96960	0.7
66.52231	0.7
72.08141	1.7
80.02079	0.7
86.06059	2.1
87.04456	1.3
88.07619	5.0
89.06016	2.0
100.07628	4.0
104.07122	1.8
109.65015	0.8
118.08647	3.3
132.10191	19.8
144.61504	1.0
148.09666	3.3
159.77644	0.8
176.12830	1.4
194.26369	0.9
206.13919	3.4
270.27841	13.4
314.30536	46.9
358.33167	4.0
388.34274	1.5
406.35248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.3
58.06589	1.0
66.16008	0.7
70.06601	11.5
71.08627	2.8
84.08153	0.8
86.09710	1.3
88.07114	1.5
88.07630	23.2
89.06040	1.1
92.41186	0.9
95.08638	0.9
102.09187	16.0
115.41059	0.7
119.81289	0.7
132.10233	1.6
140.73409	0.8
146.11707	1.9
212.23717	1.3
238.25578	1.0
256.26346	90.2
300.28937	14.5
320.09207	1.3
335.11560	1.0
344.31583	7.5
362.07111	0.7
388.34109	7.8
406.20209	5.0
406.35291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
57.07082	1.7
58.06602	7.1
60.04546	0.7
68.05063	0.6
70.06587	1.2
71.08630	1.0
72.08142	1.6
74.04946	0.6
74.98483	0.6
86.06058	3.2
87.04469	1.0
89.06035	1.5
100.07600	1.7
106.08633	0.7
109.74879	0.6
118.08658	3.6
130.08647	1.1
132.10204	29.8
134.90692	0.7
148.09671	1.6
148.72151	0.7
154.97527	0.7
196.21758	0.8
206.13904	3.4
210.13432	1.4
234.67947	0.7
238.25293	1.0
300.28717	1.1
314.30533	74.3
326.30252	1.2
347.96048	0.8
363.85733	0.8
388.34302	1.8
406.35266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	3.6
59.44799	0.5
67.88618	0.5
70.06595	11.5
71.08635	1.0
71.51275	0.6
72.08173	1.2
74.61465	0.5
84.08132	3.0
86.09705	2.9
88.07634	5.3
89.06026	1.0
102.09186	3.7
114.09178	1.3
121.77442	0.6
127.18305	0.6
132.10191	9.0
146.11780	8.2
171.82996	0.6
176.12814	2.6
181.36655	0.7
190.14391	2.6
205.96748	0.6
212.23671	3.3
238.25278	2.5
256.26321	25.3
300.28958	49.7
317.10394	0.8
320.09082	0.7
320.62051	0.8
335.11285	0.7
344.31580	21.3
348.12228	1.1
388.34366	1.2
406.20334	8.3
406.35257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.4
57.07093	0.7
58.06604	5.3
68.72799	0.5
70.06594	0.6
71.08630	0.9
72.08152	3.6
85.10189	0.7
86.06071	2.2
87.04467	1.0
89.06017	1.0
91.19070	0.7
92.21548	0.9
100.07612	2.7
118.08656	3.6
130.08623	2.7
132.10197	30.4
148.09665	2.3
176.40598	0.7
206.13959	2.4
210.13326	0.7
238.25227	0.8
314.30511	66.0
326.30771	0.8
326.74976	0.6
388.34253	2.9
406.35263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.2
57.07072	1.6
58.06601	6.5
71.08607	1.1
71.19834	0.6
72.08154	0.9
74.06102	0.9
85.10185	0.8
86.06059	4.2
87.04458	1.6
88.07634	5.8
89.06032	4.0
92.22804	0.7
93.07018	0.9
100.07594	1.5
102.09164	1.0
102.83572	0.8
104.07083	3.0
105.11209	0.7
118.08705	1.3
132.10201	23.4
132.24092	0.7
134.33443	0.8
136.31592	0.8
148.09711	1.3
156.94731	0.8
176.12831	1.5
206.13818	1.3
210.13370	1.8
238.25208	0.8
270.27921	15.3
300.28882	1.4
314.30521	43.3
358.33029	4.7
388.34607	0.8
406.35251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.2
70.06589	10.5
71.08619	2.4
72.08151	2.2
81.07059	0.6
84.08142	3.4
86.09705	3.0
86.87194	0.6
88.07654	1.2
89.06042	2.2
114.09155	1.3
132.10199	11.3
146.11771	10.0
160.33192	0.6
176.12836	3.0
189.82379	0.6
190.14410	3.0
203.42519	0.8
212.23778	3.1
238.25354	2.7
242.38620	0.7
256.26382	2.2
300.28958	63.5
316.09875	0.6
317.10489	2.5
320.09387	1.6
325.48544	0.6
330.11404	0.7
334.10693	1.1
335.11533	2.7
344.31589	24.6
348.12268	2.4
374.17542	1.4
406.20291	12.1
406.35242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.8
57.34026	0.5
58.06585	0.6
61.26738	0.8
70.06596	10.8
71.08636	0.7
72.08154	1.4
73.53433	0.6
80.60699	0.5
81.07082	0.6
83.85427	0.5
84.08150	3.2
85.10191	0.7
86.09698	3.1
88.07640	1.5
89.06018	1.5
96.67970	0.5
100.66505	0.7
102.54709	0.7
114.09181	3.4
132.10216	11.6
141.24141	0.7
146.11760	13.0
166.40959	0.7
169.62802	0.6
176.12819	3.2
176.27261	0.7
190.14409	2.9
210.16966	0.7
212.23666	4.9
237.16466	0.7
238.25349	4.1
256.26367	3.8
300.28949	68.6
335.11655	0.9
344.31549	29.5
406.20499	6.1
406.35263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63157	0.4
56.05030	0.9
57.07078	1.9
58.06614	5.9
60.04532	0.5
68.05048	0.6
70.06588	1.2
71.08648	0.7
72.08142	2.8
75.04451	0.5
85.53600	0.4
86.06074	3.4
87.04466	2.1
89.06017	0.7
92.21603	1.0
100.07622	2.4
112.07594	0.6
115.76057	0.5
118.08678	4.8
130.08638	1.3
132.10213	31.0
148.09669	2.8
206.13864	2.4
210.13420	2.3
238.25209	0.6
238.42563	0.6
271.59750	0.5
275.61014	0.6
278.50970	0.5
300.29147	0.7
302.30539	0.5
314.30539	69.7
326.30539	0.9
351.59592	0.5
388.34213	2.2
406.35284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.2
66.13636	0.7
70.77898	0.8
95.08681	0.7
97.17854	0.9
99.04451	1.6
147.04436	4.4
174.05469	1.1
190.05009	12.1
200.07179	1.6
207.06532	2.8
216.06551	1.2
234.07597	39.7
319.10928	1.3
320.09204	3.8
330.69763	0.9
333.08823	4.6
334.07111	5.0
347.06552	3.1
347.10376	4.1
349.09341	1.8
361.08121	9.9
362.09082	3.6
363.09778	3.1
376.10608	7.0
377.11295	54.4
389.11414	1.1
407.12347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25658	0.5
53.03960	1.6
55.01880	47.0
57.03437	1.2
69.03436	10.1
70.89885	0.6
71.04963	1.1
73.02916	3.8
75.10961	0.7
81.03425	12.3
83.99283	0.6
85.02428	0.9
85.02908	11.5
86.09703	1.5
87.65895	0.6
90.29289	0.6
91.05484	1.1
93.99557	0.6
97.02890	11.6
98.21139	0.6
99.04456	39.4
109.02883	14.8
119.04928	6.6
127.03913	14.9
130.21381	0.6
139.03923	0.9
145.04910	0.7
147.04405	100.0
155.11983	0.7
164.10706	3.0
165.05472	7.8
173.05939	2.5
177.05446	0.7
181.04959	1.2
189.25905	0.7
191.07001	14.1
199.06017	10.7
200.50261	0.7
210.11337	0.8
217.07045	13.8
217.08992	0.7
228.16769	0.9
230.13817	1.4
243.18593	0.6
245.08066	24.1
263.09164	1.0
323.19644	3.8
339.97580	0.7
371.21750	2.8
407.13754	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01873	1.9
55.46838	1.7
56.05041	1.9
68.05033	3.2
81.03427	37.3
83.04971	3.9
84.04502	37.6
85.02905	12.6
96.04484	2.9
97.02893	28.2
98.06028	2.7
99.04442	30.5
99.05608	3.6
102.05538	3.4
106.06556	4.3
108.04480	10.0
108.50732	2.1
109.02884	24.4
110.06034	35.9
111.04464	17.9
114.05556	12.5
114.43632	2.2
121.06519	3.2
125.04790	2.7
126.05528	17.0
127.03906	10.6
128.07039	2.6
130.04100	3.7
130.05000	70.3
134.06010	11.3
136.07553	2.8
138.05525	5.1
140.09915	2.3
142.05009	21.3
147.07620	3.8
148.07561	73.3
149.07094	10.0
150.05475	2.3
155.10287	2.0
158.68103	2.0
162.05548	2.9
163.08684	10.2
164.07074	21.2
171.78787	2.2
174.05544	8.3
176.07069	63.3
178.08664	3.6
180.06444	3.0
186.98834	2.4
191.08144	63.1
192.06558	86.2
193.09747	2.7
194.08083	2.3
208.06064	11.5
210.07555	3.0
220.06030	48.7
220.07918	3.6
226.07024	3.0
228.08665	2.6
237.08673	25.0
238.07088	31.4
256.08139	4.6
274.09210	11.7
291.11838	3.6
353.13531	16.8
371.09839	3.4
371.14523	100.0
372.13000	2.8
389.15598	40.9
407.16586	57.1
430.65244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	3.7
53.45737	3.2
58.06590	4.3
58.80777	3.3
64.26966	3.6
71.04984	4.0
76.02232	13.7
78.52773	4.6
78.76609	4.0
81.03424	36.1
82.39034	3.3
84.04501	42.8
85.02915	8.3
85.03465	3.5
89.27877	3.6
96.04438	6.6
97.02902	26.8
99.04472	33.8
102.05533	4.7
106.06548	5.8
109.02872	25.3
110.06068	28.6
111.04475	7.0
114.05518	4.2
126.05520	20.1
127.03992	4.5
130.05009	68.8
131.01614	57.4
132.01953	22.3
134.06004	15.6
142.04984	16.3
148.07568	65.7
149.07077	15.6
150.05438	4.7
156.04793	15.8
164.07042	9.2
174.05713	21.5
175.06180	17.1
176.07063	65.4
178.08592	8.7
180.06612	5.0
191.08162	53.9
192.06566	76.2
193.09825	4.2
198.87866	3.7
208.06117	4.8
210.07516	4.1
220.06041	47.7
226.10588	4.6
237.08658	19.8
238.07146	30.7
256.08176	4.1
261.05963	6.5
274.09256	5.8
277.08337	5.6
278.08823	29.6
332.09906	7.9
346.15680	4.0
353.13495	19.4
363.18597	4.7
371.14496	100.0
389.15634	33.3
407.17145	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1696
Annotation	Vilmorinine B
Peak:m/z	Relative Intensity
55.01862	1.5
55.05515	2.2
55.55659	1.7
58.80386	1.5
69.03432	12.6
70.27356	1.6
80.42403	1.5
81.70335	2.1
83.04990	34.5
83.05460	2.9
84.86622	1.6
91.05458	2.2
97.02876	12.7
99.04457	19.8
103.03931	4.0
107.90128	1.7
109.02898	12.2
111.04430	2.6
119.08598	3.5
121.06526	3.1
123.04441	2.0
124.39648	1.8
127.03918	14.9
129.06978	2.2
131.08519	2.5
135.08058	72.0
142.07813	2.7
143.08582	9.4
147.08052	7.5
149.09615	3.0
151.07497	2.4
153.06914	2.3
155.08540	3.3
156.09358	9.2
157.10121	14.6
158.07234	2.5
159.08057	8.4
159.11696	7.0
166.07739	4.1
168.09352	9.8
171.08052	15.5
171.11684	20.6
172.08856	6.3
173.09630	17.5
175.07510	7.7
181.10104	11.5
183.11678	9.4
184.08795	7.5
185.09563	19.1
186.10341	3.2
187.11166	18.6
197.09608	3.2
199.11168	62.7
201.12886	2.0
203.10677	31.3
209.09636	18.7
212.08324	16.6
215.10677	100.0
217.12317	4.2
227.10672	51.3
233.11722	36.5
245.11703	73.9
245.14201	3.4
263.12750	14.2
265.59280	2.0
266.97684	2.0
321.09644	11.0
336.12213	14.4
371.14938	35.2
389.15802	7.5
407.12759	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49289	1.8
54.34612	1.6
55.01872	10.5
58.06594	2.4
94.06561	2.2
95.04955	2.5
97.29640	2.0
99.04482	3.9
103.95976	2.0
106.15362	2.4
122.06012	4.5
136.07639	3.4
140.07068	10.4
147.04411	14.7
154.08632	18.1
162.05524	8.0
167.07057	4.5
171.04428	2.9
176.07045	18.1
189.05461	4.1
190.04996	16.2
194.08113	15.2
194.11826	3.4
204.06612	21.0
222.07658	15.2
222.11218	33.2
234.07579	4.9
236.09229	5.3
237.10162	2.6
245.08179	3.0
283.10703	29.4
293.09259	4.5
297.12125	3.6
311.10245	19.7
315.13431	5.4
325.11938	2.5
343.12939	26.9
352.49191	2.3
375.15652	26.8
407.12735	11.0
407.18079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.9
56.70974	1.6
67.81215	1.5
81.03432	7.2
82.06582	20.9
83.04989	6.8
84.08147	100.0
86.09727	3.7
95.04977	9.6
96.08104	1.7
99.04471	13.2
107.24514	1.4
110.05272	2.4
110.06043	70.2
111.04438	8.8
113.38037	1.5
126.05476	2.5
126.09233	2.0
127.03961	3.1
128.07076	43.0
130.08641	25.1
135.65770	1.7
147.11305	7.2
148.07599	1.8
170.50713	1.5
176.10707	3.7
178.08632	19.3
189.12236	1.8
192.10207	6.1
194.11777	2.9
225.12231	1.9
267.55630	1.5
310.16434	2.1
353.17203	6.0
363.18536	6.2
371.18082	22.4
372.16605	2.0
389.19260	16.6
407.20297	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2192
Annotation	Zoamide D
Peak:m/z	Relative Intensity
60.56914	1.4
81.07073	2.0
84.04522	2.1
92.21527	2.7
98.98456	2.5
126.17760	1.8
155.01062	2.1
182.39789	1.9
213.37907	2.2
221.61246	2.1
231.85574	2.0
361.17166	2.0
407.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
58.06602	1.0
62.65609	0.1
69.03418	0.2
69.07044	0.2
70.06586	0.6
73.98382	0.1
74.59879	0.1
82.06591	0.3
83.07365	0.3
86.09747	1.1
96.04520	0.3
96.08198	0.2
97.02894	0.2
99.04447	0.3
126.12795	100.0
147.04399	0.2
164.10756	1.2
194.11714	0.2
196.13272	0.2
210.11147	0.2
228.15883	0.4
230.13852	1.0
277.18848	0.2
311.15860	0.2
323.19537	1.2
353.20535	0.2
357.51035	0.2
359.21771	1.7
371.21881	0.8
389.16675	0.5
389.21323	0.5
407.22107	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.4
53.13863	0.5
56.10698	0.4
58.06586	0.5
65.62253	0.4
96.94860	0.5
126.12789	100.0
147.04407	0.8
154.18880	0.5
164.10648	0.6
261.27087	0.6
323.19714	2.2
334.32825	0.5
359.21716	1.9
371.21622	0.6
395.52646	0.6
407.22104	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Lincomycin
Peak:m/z	Relative Intensity
58.47253	0.2
69.46368	0.1
70.06553	0.2
77.20647	0.2
81.43727	0.2
82.06577	0.2
83.07374	0.3
92.37659	0.2
99.04481	0.2
100.00762	0.2
126.12788	100.0
207.70311	0.2
263.78262	0.2
297.01892	0.2
359.21582	1.5
389.21042	0.7
407.22092	29.3
429.41586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.221
Annotation	Lincomycin
Peak:m/z	Relative Intensity
51.76479	0.4
53.13863	0.5
56.10698	0.4
58.06586	0.5
65.62253	0.4
96.94860	0.5
126.12789	100.0
147.04407	0.8
154.18880	0.5
164.10648	0.6
261.27087	0.6
323.19714	2.2
334.32825	0.5
359.21716	1.9
371.21622	0.6
395.52646	0.6
407.22104	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17634	0.2
57.63583	0.2
57.98064	0.3
58.06604	0.3
70.35815	0.3
93.42939	0.3
126.12790	100.0
220.93414	0.3
309.08582	0.5
322.09442	0.5
346.88400	0.4
359.21774	1.5
374.37155	0.3
389.21307	0.4
407.22101	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
58.06594	0.2
61.39474	0.1
69.07074	0.1
69.72115	0.1
70.06588	0.5
78.68516	0.1
81.03442	0.2
82.06577	0.1
83.07362	0.2
84.08170	0.2
97.02876	0.2
99.04449	0.8
124.11212	0.1
126.12794	100.0
147.04417	1.1
154.91728	0.1
155.12433	0.1
172.13351	0.1
194.08197	0.1
213.25648	0.1
217.06964	0.1
228.15929	0.2
359.21652	2.0
389.16492	0.2
389.21136	0.6
407.22098	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.4
53.13863	0.5
56.10698	0.4
58.06586	0.5
65.62253	0.4
96.94860	0.5
126.12789	100.0
147.04407	0.8
154.18880	0.5
164.10648	0.6
261.27087	0.6
323.19714	2.2
334.32825	0.5
359.21716	1.9
371.21622	0.6
395.52646	0.6
407.22104	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2216
Annotation	Panduratin A
Peak:m/z	Relative Intensity
55.05529	2.1
57.07092	0.4
67.01862	0.3
67.05490	0.9
68.35596	0.2
69.07074	7.0
79.05519	0.2
81.07059	2.4
83.04985	15.8
83.08635	0.5
90.06391	0.2
91.05477	1.7
93.07053	0.4
95.04940	0.3
95.08604	2.3
98.98466	0.5
105.07038	0.5
109.10149	0.5
112.34190	0.2
116.83338	0.2
117.07029	1.0
121.10149	0.3
126.09147	1.5
129.06990	0.4
131.04906	0.3
143.08467	0.3
143.11794	0.3
153.05469	4.0
155.01059	1.0
167.03392	100.0
169.10054	0.4
171.11647	2.1
181.10092	0.4
183.11670	0.3
185.04442	0.5
185.31314	0.3
187.07504	2.0
203.07033	0.5
215.07047	5.4
227.07018	2.3
227.10492	0.3
253.11833	0.2
271.13309	0.4
337.14175	0.4
339.15762	1.1
339.19547	3.7
349.17871	1.0
351.15887	0.8
351.19513	0.8
371.78238	0.3
384.23825	0.3
389.20987	1.1
389.26599	0.3
407.22021	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2216
Annotation	(-)-(2R)-8-Geranylpinostrobin
Peak:m/z	Relative Intensity
56.37865	0.7
57.07067	0.6
62.66826	0.6
65.48522	0.7
68.16801	0.8
69.07063	1.7
70.66022	0.8
81.07065	3.9
91.10963	0.6
95.08603	4.3
109.10138	1.5
131.04953	1.7
137.13246	0.9
167.03368	1.8
179.03378	100.0
193.04956	12.2
197.04453	38.0
197.06277	0.8
205.04866	0.9
219.06482	1.5
221.08073	4.0
241.08533	3.6
247.09682	5.1
271.09653	1.2
283.09634	29.7
297.11060	1.0
303.15894	49.2
365.21030	0.9
391.72177	0.8
407.22110	78.1
407.37115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	12.5
55.66576	1.4
58.06599	1.6
58.40855	1.4
59.26208	1.2
69.03438	6.1
70.12107	1.6
71.98393	1.6
80.19670	1.5
81.03413	17.3
84.08149	1.7
85.02888	6.2
86.09232	2.7
86.09711	50.8
96.04504	3.6
97.02901	3.6
99.04465	16.9
108.04469	3.3
109.02895	2.0
109.76791	2.0
117.07006	2.7
122.06052	2.0
127.03971	2.5
128.10706	2.8
132.10176	3.0
135.08081	10.8
138.05482	7.0
140.07019	1.8
140.10709	2.7
147.04398	25.9
156.06555	2.1
164.10706	73.4
168.10228	7.4
186.11201	2.3
191.07132	2.3
194.11784	16.3
196.13292	15.8
199.05975	1.5
210.11284	19.6
212.12796	25.8
214.14410	1.8
217.07002	2.3
230.13858	42.3
245.08064	3.5
245.18556	8.5
255.17079	1.9
258.13220	3.1
277.19089	9.3
286.43765	1.7
323.19653	100.0
353.20694	10.6
371.21756	48.5
375.44876	2.1
389.22879	29.1
407.13315	2.4
407.23907	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.2
69.03433	10.4
69.07068	9.9
70.06572	1.8
74.42667	1.6
81.03429	4.2
81.44244	1.7
83.00957	1.7
84.04523	1.7
84.08138	8.4
85.02890	8.8
86.09711	80.0
96.04482	22.9
97.02890	6.9
98.09686	2.9
99.04449	2.5
112.03947	2.5
120.08102	1.9
126.05532	2.4
126.12834	12.1
127.03929	7.2
128.10728	8.8
129.10236	7.3
132.10185	3.7
137.06007	6.5
144.06599	3.3
161.06801	1.7
164.10712	83.4
168.10143	3.2
170.11765	1.9
178.12190	4.2
194.11827	14.6
194.13235	1.6
196.13330	16.1
200.12723	2.4
210.11227	24.9
212.12816	40.4
230.13872	70.6
240.12103	2.0
245.18687	11.7
258.13403	7.9
277.19086	7.9
305.18472	2.2
309.08673	61.2
323.19641	100.0
334.10681	2.0
335.19708	2.6
339.10400	3.0
353.20895	17.6
371.21759	62.9
389.17889	6.7
389.22760	46.8
407.12317	35.7
407.18326	3.9
407.23578	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	12.5
55.66576	1.4
58.06599	1.6
58.40855	1.4
59.26208	1.2
69.03438	6.1
70.12107	1.6
71.98393	1.6
80.19670	1.5
81.03413	17.3
84.08149	1.7
85.02888	6.2
86.09232	2.7
86.09711	50.8
96.04504	3.6
97.02901	3.6
99.04465	16.9
108.04469	3.3
109.02895	2.0
109.76791	2.0
117.07006	2.7
122.06052	2.0
127.03971	2.5
128.10706	2.8
132.10176	3.0
135.08081	10.8
138.05482	7.0
140.07019	1.8
140.10709	2.7
147.04398	25.9
156.06555	2.1
164.10706	73.4
168.10228	7.4
186.11201	2.3
191.07132	2.3
194.11784	16.3
196.13292	15.8
199.05975	1.5
210.11284	19.6
212.12796	25.8
214.14410	1.8
217.07002	2.3
230.13858	42.3
245.08064	3.5
245.18556	8.5
255.17079	1.9
258.13220	3.1
277.19089	9.3
286.43765	1.7
323.19653	100.0
353.20694	10.6
371.21756	48.5
375.44876	2.1
389.22879	29.1
407.13315	2.4
407.23907	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68304	1.3
61.47636	1.2
64.78439	1.0
85.48684	1.1
87.98416	1.1
107.08601	1.3
112.75740	1.3
119.43687	1.3
149.97762	1.3
181.47151	1.4
223.74301	1.3
232.00569	1.4
407.23981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43723	1.3
55.05515	7.6
57.03436	3.0
57.07082	28.6
60.63701	1.3
64.15860	1.5
67.05519	11.4
69.03410	2.4
69.07067	13.1
71.08343	1.4
71.08645	25.4
73.01387	1.5
81.07058	22.5
83.05005	1.6
83.08623	10.8
85.10182	11.4
93.07057	3.3
95.08611	30.6
97.10171	6.2
98.98475	45.9
107.08609	3.0
108.04464	2.2
109.10191	14.2
111.11717	2.1
123.11697	6.4
135.11653	2.1
137.13200	1.6
137.56117	1.5
155.01048	100.0
165.11485	1.5
213.09134	2.2
253.25319	12.7
257.58047	1.7
346.21817	1.6
407.25806	18.4
407.29468	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
63.89377	1.9
67.05504	8.9
67.61128	1.9
69.07060	5.0
69.63223	2.0
69.80145	2.0
71.04950	2.6
77.89935	2.1
79.05492	16.2
79.18269	2.2
81.07066	16.3
87.40929	1.9
91.05492	9.8
93.07044	24.8
95.04964	3.1
95.08571	16.9
96.03841	2.1
97.06510	2.5
101.42529	2.1
103.41608	2.2
105.07031	22.7
107.08588	11.1
109.06522	4.3
109.10152	3.6
111.04433	2.3
111.08038	2.6
117.06990	3.0
119.08564	20.2
121.06495	4.2
121.10144	15.1
123.11737	2.8
131.08534	9.0
133.10135	4.9
135.11676	2.7
143.08563	11.8
145.10117	21.2
147.11688	9.2
156.09320	4.2
157.10132	15.6
159.08002	3.1
159.11594	8.3
169.10110	9.0
171.11702	12.7
173.13312	10.1
181.10114	4.2
183.11697	11.1
185.13153	3.8
194.10951	3.0
195.11702	13.0
196.12256	3.9
197.13289	8.7
199.11391	2.5
199.14899	3.2
207.11670	8.7
208.12468	9.2
209.13200	11.9
211.14755	2.9
219.11646	3.3
221.13307	5.5
223.14784	5.5
233.13295	3.6
235.14824	4.2
247.14760	3.9
249.16420	14.3
267.17325	4.3
275.17941	2.8
282.20016	6.9
333.18195	3.3
335.10904	3.0
349.72540	2.8
363.17798	3.0
389.24609	15.7
391.17444	3.9
407.20157	19.1
407.25577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66160	1.2
55.05523	5.9
57.03431	2.7
57.07087	34.5
67.05502	15.1
69.07061	10.3
70.40983	1.6
71.08636	27.3
79.05492	2.0
81.07053	22.9
83.08183	1.3
83.08623	12.3
85.10184	13.6
91.91074	1.3
92.20966	2.0
93.07040	6.2
95.08616	27.1
97.10171	10.3
98.93340	1.4
98.97600	6.4
98.98469	58.7
107.08601	3.0
109.10150	18.2
111.88863	1.4
116.98598	7.1
118.06928	1.5
123.11717	6.3
134.99643	2.2
135.11664	1.7
137.13188	1.6
151.07512	2.8
154.12283	8.0
155.01042	100.0
160.86662	1.6
171.14934	1.9
182.26968	1.7
253.08670	1.8
253.25311	17.2
263.35965	1.7
283.13373	2.5
333.24252	2.9
344.44052	1.8
351.19302	2.5
389.20029	2.5
395.75177	1.6
407.25751	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2784
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.36593	4.0
55.05528	6.6
57.07077	5.6
62.31312	4.5
64.08339	4.8
67.05503	31.1
69.03397	6.4
69.07063	24.0
71.08630	9.7
81.03435	11.1
81.07056	45.5
83.08640	10.8
91.05508	18.2
92.20966	5.4
93.07056	29.4
95.08604	43.6
97.10171	7.1
99.41743	5.3
105.07043	32.1
107.08588	21.3
109.10156	10.5
117.07001	8.9
118.84200	5.4
119.08578	26.8
121.10155	19.8
124.03986	9.6
126.09169	8.3
127.14522	5.1
129.07027	5.8
131.08594	21.6
133.10178	8.4
135.11678	6.8
145.10106	12.8
155.00995	7.4
159.11685	10.5
161.13318	6.3
165.12822	7.0
275.23831	5.6
317.24792	6.6
329.24847	5.5
371.25778	28.5
383.52814	6.1
389.26727	35.7
389.31271	6.0
407.28104	100.0
407.33347	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
55.05518	19.5
57.03433	6.6
59.26279	4.0
64.60586	3.9
67.05508	36.3
69.03439	17.0
69.07072	19.6
71.08604	3.8
78.08075	3.9
79.05498	22.5
81.03425	23.8
81.07043	48.0
81.09113	4.3
83.05011	4.5
83.08608	16.8
85.02876	6.9
91.05470	23.5
93.07035	37.0
95.04956	5.9
95.08609	42.3
97.02902	4.8
97.06529	7.4
97.10180	8.6
105.07030	24.0
107.04949	6.0
107.08617	21.0
109.10152	28.9
110.46996	4.0
111.04383	5.7
112.99972	5.6
117.06983	8.6
119.02882	4.4
119.08567	28.1
121.06485	6.7
121.10123	24.1
123.11721	9.7
131.08560	17.6
133.10118	16.0
143.08562	5.7
145.10101	14.8
147.11696	8.0
159.11674	17.1
161.13216	8.6
169.02608	16.2
175.14815	7.5
187.14813	7.2
203.14293	5.0
206.67603	4.6
303.22980	4.3
317.24857	8.3
333.24121	5.2
349.68979	4.7
353.24524	6.2
371.25742	29.8
389.26993	42.8
407.27863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
54.60536	3.9
55.05524	19.4
57.07083	8.4
67.05511	44.1
69.03429	7.1
69.07067	20.5
71.04980	6.8
71.08641	8.0
74.20527	5.4
75.24962	4.3
79.05502	10.1
81.03427	7.1
81.07081	54.5
83.08640	18.9
85.02925	5.0
91.05463	19.3
93.07040	34.1
95.08615	43.7
97.06549	7.4
98.98470	7.5
101.56915	4.8
105.07033	28.2
107.08597	22.9
109.06509	4.8
109.10171	25.4
117.07026	6.1
119.08589	24.4
121.10162	10.7
123.11747	5.4
131.08612	10.8
133.10114	9.1
135.11678	9.3
137.13333	4.7
139.73586	4.6
139.74704	4.5
145.10078	11.4
147.11708	7.7
149.13266	8.9
150.45906	5.2
151.51331	4.8
155.01067	7.0
161.13258	7.3
175.14896	6.4
187.14702	5.7
201.16394	5.4
273.22287	4.4
317.24808	6.6
353.24707	6.7
371.25687	22.5
389.26846	37.2
407.28104	100.0
407.35693	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
52.06689	5.0
54.33735	4.7
54.56052	5.7
55.01880	5.2
55.05512	23.6
56.94703	4.8
57.03436	5.7
57.07081	10.2
63.55458	5.4
67.05511	54.0
68.85548	4.9
69.03434	28.3
69.07072	41.6
71.08636	10.9
79.05491	28.0
79.93529	5.2
80.26042	5.5
81.03429	24.6
81.07056	79.1
83.05001	6.9
83.08627	27.1
83.74359	5.2
84.94820	5.5
85.02890	9.4
87.45408	6.8
91.05491	34.0
93.07040	42.9
95.04964	9.1
95.08603	71.6
97.02897	6.4
97.06522	8.2
97.10149	9.8
99.08118	8.7
105.07050	40.2
107.08590	47.8
109.06554	7.3
109.10177	36.8
111.04475	6.4
111.08109	5.2
117.07052	10.4
119.08599	38.5
121.06457	10.6
121.10144	28.0
122.51670	6.3
123.11703	8.0
131.08577	24.5
133.10110	23.0
135.11690	10.9
147.07997	6.3
147.11685	8.2
147.17773	6.1
149.13249	8.0
155.01036	6.9
159.08023	6.8
161.13274	12.5
163.15062	5.4
173.09702	6.0
176.33897	5.6
182.13432	5.5
185.13365	5.4
187.14748	6.3
223.11273	6.1
291.19525	6.6
321.24133	7.2
347.25714	7.9
353.24481	10.4
371.25806	34.2
389.26730	56.0
407.27731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
51.36687	3.9
52.13264	3.7
55.05502	10.6
57.07072	6.2
62.32299	3.9
67.05510	47.3
69.03424	7.7
69.07061	23.3
74.18574	4.0
79.05497	20.5
81.03413	10.6
81.07062	53.4
83.08615	10.0
83.66827	4.6
84.04490	5.0
87.19186	4.5
91.05459	22.1
93.07043	38.7
95.05006	6.2
95.08604	37.3
97.10140	5.5
102.05545	7.8
105.07034	24.9
107.08591	35.6
109.06506	5.2
109.10136	11.8
111.04431	5.9
117.06986	17.8
119.08587	21.7
119.68559	4.9
121.06519	6.0
121.10136	22.3
123.11716	7.5
125.09618	4.8
131.08575	27.4
133.10107	10.4
135.08011	5.4
135.11694	8.6
145.10135	11.4
147.11659	9.2
149.13231	7.0
161.13287	6.5
173.13184	5.6
175.14786	8.4
187.14795	6.4
189.16335	4.8
213.70638	4.8
303.23206	7.8
315.23151	5.1
317.24789	10.6
331.13013	7.2
349.12616	6.1
353.24652	9.0
371.25775	32.5
389.26794	44.4
407.23389	10.1
407.27728	100.0
407.32547	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
56.05046	1.3
57.07071	1.1
60.95661	1.1
63.97448	1.0
67.05515	11.5
69.07076	2.4
75.20928	1.0
79.05489	7.7
81.07061	12.8
81.93842	1.1
83.06117	17.8
83.08592	1.7
84.04510	49.8
84.08160	1.7
91.05454	4.1
93.07035	12.1
94.35484	1.2
95.08617	11.3
97.06521	1.7
98.65660	1.1
98.98459	1.6
101.07151	10.4
102.05542	2.2
105.07035	5.1
107.08603	6.4
109.10162	6.3
117.07001	1.4
119.08604	4.1
121.10153	8.5
129.06592	32.8
130.04997	100.0
131.08528	2.3
133.10129	2.9
135.11748	2.7
135.70213	1.2
136.72418	1.2
147.07642	29.7
147.11702	1.3
159.11702	1.7
161.13235	1.6
170.21417	1.3
173.13347	1.7
210.15701	1.2
261.22116	11.9
371.25558	1.9
373.27570	1.7
389.27039	4.8
390.26053	1.8
407.22263	2.3
407.28128	14.5
407.32306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	0.6
60.04529	15.8
60.32753	0.6
65.70162	0.7
67.05498	3.1
70.02956	3.4
75.76485	0.7
76.73129	0.7
79.05487	1.6
80.65170	0.9
81.07044	0.9
85.22153	0.7
87.05585	8.6
88.04004	7.6
88.68299	0.7
91.05498	1.1
93.07055	2.6
95.08630	3.0
102.05541	100.0
104.07140	1.3
107.08605	1.0
109.10126	0.8
113.02357	4.0
121.10149	1.3
127.85935	0.6
130.04990	4.8
135.11707	1.0
147.07632	19.3
184.41667	0.7
197.13202	0.6
302.24466	0.7
313.21579	3.2
315.30942	3.0
330.24353	4.4
362.26855	7.2
390.26456	15.0
407.28860	3.9
407.35529	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25763	2.8
53.61484	2.8
53.72157	2.6
53.91623	2.8
61.22621	2.8
66.66972	3.2
83.10416	3.2
93.07046	16.0
97.07665	4.9
107.08624	31.0
108.66019	3.3
121.06507	6.0
133.10129	37.4
135.11731	5.0
160.92657	3.9
161.09612	33.9
165.13957	3.9
165.61096	3.4
179.10675	100.0
197.11751	5.3
198.09628	3.3
251.99904	3.4
271.75955	3.4
350.12415	3.7
356.17938	3.6
389.35165	15.5
407.31601	18.8
407.36407	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.0
60.22097	2.0
62.19520	2.0
65.03532	2.0
67.05506	24.9
69.07067	10.8
69.56207	2.0
72.72276	2.3
79.05492	13.0
81.07055	36.7
83.08609	13.8
91.05505	17.1
93.07024	24.0
95.08608	31.4
97.06496	2.1
97.10132	8.0
101.74487	2.1
105.07033	34.9
107.08598	22.2
109.10162	17.3
117.07008	15.7
119.08585	30.3
121.10140	25.5
122.61342	2.1
123.11655	4.4
129.06956	11.3
131.08582	40.4
133.10110	25.3
135.08057	3.2
135.11707	13.2
137.09676	2.6
139.11143	2.4
139.37477	2.3
143.08562	13.6
145.09082	3.1
145.10135	30.9
147.11679	10.0
149.13263	9.0
155.08499	3.5
157.10126	14.4
159.11661	15.1
161.13268	3.0
163.11188	3.2
169.10117	3.9
171.11607	17.3
175.14824	2.2
183.11658	5.3
185.13269	10.6
197.13257	4.4
199.14824	3.5
201.16331	2.8
211.14793	5.4
213.16373	3.4
322.64334	2.4
337.25272	17.9
354.27975	14.3
355.26389	35.8
372.28870	30.9
373.27463	10.6
389.31561	9.5
390.29990	22.2
407.32617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.2
63.95467	2.2
67.05511	22.9
69.07061	12.9
75.91008	2.4
77.44061	2.2
79.05498	14.3
79.39928	2.9
81.07061	29.3
83.08627	5.0
91.05483	11.7
93.07042	24.5
95.08611	25.1
97.06516	3.5
97.10194	4.9
105.07038	23.4
107.08581	24.9
109.10154	10.5
111.08108	2.8
117.07025	6.5
119.08592	24.5
121.10162	20.7
121.15208	2.6
129.07037	5.1
131.08543	30.3
131.19814	3.1
133.10141	20.2
135.11702	5.7
143.08568	4.3
145.10127	22.1
147.11687	16.5
157.10109	5.9
159.11685	5.4
161.13268	3.4
164.72337	2.7
169.10020	3.7
171.11703	11.6
183.11758	4.3
185.13261	13.2
213.04964	2.9
230.09282	2.9
265.80005	2.8
309.25601	2.8
337.25146	10.5
354.27954	11.2
355.26123	27.7
372.28992	37.4
373.27197	13.1
389.31567	13.9
390.30038	33.1
407.32654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
89.72681	1.1
134.56485	1.2
211.53796	1.3
408.06900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73696	8.7
66.43650	10.8
68.32227	9.2
71.70747	9.0
94.07457	11.1
259.06281	12.8
271.06299	14.5
320.08957	14.6
333.77936	12.6
336.08716	40.9
367.15384	19.3
380.08765	42.6
408.08383	66.8
408.18121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
72.61434	0.4
84.45828	0.5
87.66633	0.5
109.14821	0.5
137.62808	0.5
141.90887	0.6
273.07938	0.7
289.07312	0.9
291.09006	1.4
301.07245	1.0
303.08896	0.5
310.07101	0.6
317.06851	0.7
318.07553	2.0
319.08328	3.6
320.09146	0.7
322.07172	1.8
329.06882	0.6
334.07150	0.7
334.10834	2.2
336.08710	0.7
338.10382	13.8
347.07837	4.7
348.08340	0.6
351.07214	2.8
364.11685	0.8
366.09689	20.1
375.07230	1.0
408.10690	100.0
418.68585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28050	0.5
56.77526	0.6
63.49917	0.5
71.86608	0.5
82.14127	0.5
88.53063	0.6
98.16326	0.5
123.48296	0.5
150.12555	0.6
180.77176	0.6
209.70436	0.5
227.05550	0.7
319.08353	0.7
320.09171	26.8
321.10623	0.9
334.10721	2.4
336.12408	0.7
348.08646	100.0
349.09424	29.2
352.12888	1.2
355.01373	0.7
362.10165	2.5
380.10983	1.0
408.10727	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37968	0.5
66.09105	0.5
105.80247	0.6
150.40005	0.7
173.31172	0.6
191.68492	0.7
220.40770	0.6
241.11035	0.7
259.12149	1.0
262.08734	0.6
265.04767	0.7
273.07819	3.3
274.08655	0.7
289.07388	1.2
290.08246	0.9
291.08878	4.8
291.12656	3.0
301.07245	4.2
305.10223	1.1
306.07629	1.3
307.08496	0.7
309.13681	3.5
318.07623	4.0
319.08444	5.2
320.09149	3.3
321.10178	1.0
323.15103	1.0
324.08524	7.0
324.12109	0.8
331.15860	0.9
332.09116	3.3
334.07056	3.5
334.10681	1.4
335.07715	2.6
336.08743	1.0
336.12421	0.9
337.09430	2.6
338.10611	6.5
339.11038	5.0
347.08148	4.6
348.08719	2.7
349.09332	1.5
349.16922	2.2
362.10239	1.3
364.07999	1.0
364.11975	1.0
366.09503	1.3
367.17960	12.8
375.07410	3.5
380.11261	3.0
390.23416	1.0
408.10730	100.0
420.61499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
85.25262	0.6
88.87445	0.6
99.37064	0.6
128.31303	0.7
135.25684	0.7
140.78021	0.7
143.31531	0.8
185.25511	0.7
251.20586	0.9
293.09198	72.1
319.10767	28.0
346.11896	2.9
347.10498	2.4
348.08487	1.3
362.11215	6.2
363.09711	9.0
364.12875	35.6
390.10739	2.7
391.09213	24.3
408.11874	100.0
408.65408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	0.2
90.62021	0.2
96.08106	0.4
104.78474	0.2
114.09184	3.0
133.73068	0.2
278.08124	0.4
286.19876	0.3
291.08841	0.2
292.09665	11.5
304.09805	2.0
306.07553	3.4
320.09180	14.4
321.09946	33.7
336.12286	100.0
398.78726	0.3
399.28650	0.4
407.79105	2.9
408.14404	43.9
408.28983	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46874	1.7
53.03940	2.0
54.50909	1.8
55.01863	1.9
58.06610	3.1
60.79509	1.8
62.75675	1.9
68.05029	2.3
69.03433	4.2
71.04983	3.1
71.63701	2.4
81.03425	24.9
84.04506	32.8
85.02910	16.3
97.02894	31.9
98.06124	2.2
99.04457	42.6
102.04948	2.2
102.05562	13.4
109.02866	20.0
110.06036	11.8
112.03977	2.4
114.05563	18.6
125.04722	36.5
126.05523	9.1
127.03918	4.7
130.05014	18.4
133.01204	5.3
136.07565	2.9
138.91443	2.0
142.04974	18.4
143.05693	3.0
144.06483	2.5
148.06046	4.8
148.07570	13.2
153.05754	8.0
158.04292	2.9
162.05487	2.7
162.07713	2.5
164.07092	15.8
166.67589	2.6
167.07025	16.3
177.07344	2.7
180.06558	3.7
192.04878	4.4
192.06558	100.0
194.08141	2.3
196.06081	2.6
208.06027	3.6
210.07623	14.5
226.07097	8.6
228.08704	9.8
238.07120	28.1
246.09755	9.7
256.08112	13.5
274.09180	27.7
276.11282	4.7
279.08255	3.9
292.10306	14.6
372.12814	62.0
390.13815	51.3
408.14935	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37878	1.0
55.01875	1.1
56.14133	0.9
58.06591	7.9
69.03423	5.2
70.06590	6.4
72.08128	1.5
81.03391	2.8
81.07078	1.8
83.05006	1.3
84.04475	1.4
84.08160	1.7
84.08755	1.4
85.02896	3.1
85.34690	1.1
91.05439	1.7
93.63638	1.2
95.01323	5.4
96.04468	1.3
97.00172	1.1
97.02830	1.6
97.06522	1.6
98.06047	1.7
98.58039	1.2
99.04447	9.3
105.07023	1.7
107.04939	1.4
108.10195	1.4
109.06503	1.2
110.12929	1.1
111.04467	1.3
113.42622	1.3
116.07058	7.2
120.08085	7.5
121.06474	12.3
123.04422	2.0
124.71381	1.2
126.12746	2.0
127.03885	1.4
127.07558	1.6
127.13108	1.9
131.04967	1.8
132.08081	2.9
133.72888	1.3
137.05934	5.2
139.07527	7.6
146.06088	1.5
147.04390	2.4
149.05905	10.7
161.05931	7.3
162.05473	1.7
162.06691	1.6
163.06198	1.4
163.07530	2.8
164.07057	17.7
166.08646	5.2
167.07024	8.1
171.08003	1.9
173.06007	14.9
187.07571	1.6
190.08421	2.1
198.09082	2.0
199.13463	1.3
209.09644	2.4
215.10631	3.0
225.93446	1.3
227.10658	5.6
244.09633	1.8
246.01009	1.4
322.06995	1.8
323.07867	1.8
334.06393	2.3
338.10132	2.4
348.07724	1.3
408.11035	9.8
408.16428	100.0
408.20645	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05518	0.9
58.06594	0.9
69.03435	7.8
69.27972	0.5
70.06590	0.6
78.91547	0.5
81.07072	0.8
83.04963	1.7
85.02900	3.6
85.06536	1.0
86.09698	0.6
95.01329	6.9
97.02845	0.8
99.04465	6.5
118.06533	1.1
121.06506	0.7
123.04432	1.1
125.05997	0.5
137.05968	3.1
139.07547	11.6
145.06491	0.8
146.06021	4.3
147.04387	2.2
149.06003	1.1
151.06245	0.6
152.07022	0.6
155.07063	0.8
158.78325	0.5
161.06004	3.0
162.05536	0.5
162.06766	3.2
163.06279	2.2
163.07547	4.3
164.07063	14.0
165.05412	0.5
166.08621	1.0
167.07030	12.3
173.05984	8.1
175.07564	2.1
176.07018	0.6
180.10152	1.9
187.07620	0.5
189.08984	0.5
190.08630	0.8
203.10672	0.6
215.10660	7.5
216.11473	2.1
217.12283	1.2
218.02737	1.0
218.11763	0.8
220.96075	0.5
229.07121	1.1
232.13335	3.2
234.98982	0.9
246.02284	2.4
337.05789	1.1
348.14816	0.6
390.16937	0.9
408.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1805
Annotation	MK-2206
Peak:m/z	Relative Intensity
58.46067	0.6
67.65297	0.4
81.07053	1.1
93.07036	1.0
95.08596	0.6
96.04525	0.5
97.73071	0.6
103.73461	0.5
105.07048	0.6
107.08595	0.6
113.79836	0.5
121.06458	0.8
144.34344	0.6
145.10179	0.7
153.14465	0.5
161.29738	0.6
161.51143	0.5
173.89119	0.5
275.19971	1.1
319.09482	0.6
332.12970	1.1
334.10684	0.9
334.14346	0.8
336.08548	1.0
336.12164	6.7
337.13043	1.1
346.14478	1.8
348.15961	2.7
350.13773	5.9
360.12372	4.6
361.13113	0.8
362.13806	2.1
364.11697	24.0
365.16364	0.7
374.13876	0.8
375.14984	0.8
376.15430	31.9
378.13324	35.9
390.22971	0.8
392.15103	5.7
393.15649	5.7
408.18079	100.0
408.23834	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46067	0.6
67.65297	0.4
81.07053	1.1
93.07036	1.0
95.08596	0.6
96.04525	0.5
97.73071	0.6
103.73461	0.5
105.07048	0.6
107.08595	0.6
113.79836	0.5
121.06458	0.8
144.34344	0.6
145.10179	0.7
153.14465	0.5
161.29738	0.6
161.51143	0.5
173.89119	0.5
275.19971	1.1
319.09482	0.6
332.12970	1.1
334.10684	0.9
334.14346	0.8
336.08548	1.0
336.12164	6.7
337.13043	1.1
346.14478	1.8
348.15961	2.7
350.13773	5.9
360.12372	4.6
361.13113	0.8
362.13806	2.1
364.11697	24.0
365.16364	0.7
374.13876	0.8
375.14984	0.8
376.15430	31.9
378.13324	35.9
390.22971	0.8
392.15103	5.7
393.15649	5.7
408.18079	100.0
408.23834	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.5
69.03416	0.4
74.06079	0.7
75.67690	0.5
77.37291	0.4
79.07534	0.4
85.02915	2.9
93.22768	0.4
97.02879	0.8
98.90977	0.5
99.04461	0.7
106.42327	0.4
107.44447	0.5
116.07069	0.8
121.06453	0.5
127.03892	0.6
137.05943	0.5
149.06000	2.0
161.05992	1.0
167.07027	100.0
179.07138	0.5
181.08591	3.7
186.17172	0.6
193.08583	3.1
211.09668	13.5
229.10703	23.1
229.12944	0.9
288.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.5
69.03416	0.4
74.06079	0.7
75.67690	0.5
77.37291	0.4
79.07534	0.4
85.02915	2.9
93.22768	0.4
97.02879	0.8
98.90977	0.5
99.04461	0.7
106.42327	0.4
107.44447	0.5
116.07069	0.8
121.06453	0.5
127.03892	0.6
137.05943	0.5
149.06000	2.0
161.05992	1.0
167.07027	100.0
179.07138	0.5
181.08591	3.7
186.17172	0.6
193.08583	3.1
211.09668	13.5
229.10703	23.1
229.12944	0.9
288.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2163
Annotation	Ancistrolikokine A
Peak:m/z	Relative Intensity
66.47908	0.7
72.26868	0.7
90.68026	0.8
91.53761	0.8
115.97575	0.8
174.05489	18.5
187.06247	1.9
206.08188	0.9
231.02293	0.8
254.11708	3.2
290.08258	3.4
292.09567	3.0
293.10654	1.2
304.09750	0.9
306.07626	32.4
306.10995	1.1
308.09225	3.8
308.12842	7.3
309.06381	1.9
310.10806	3.9
318.11203	6.0
319.12006	17.9
320.09192	3.9
321.09891	8.3
322.10718	27.2
324.08597	20.1
332.12900	9.2
334.06821	1.0
334.10626	1.1
335.11554	1.1
336.12268	13.1
337.13074	24.3
338.10205	5.7
339.10974	18.1
349.09268	1.1
350.13852	19.5
362.17575	1.2
364.15646	5.5
376.19052	15.8
378.05994	4.0
378.16965	16.2
393.19260	7.2
408.17786	35.6
408.21683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2158
Annotation	Ancistrolikokine A
Peak:m/z	Relative Intensity
64.25511	0.7
68.39375	0.8
70.76820	0.7
74.94889	0.7
75.99865	0.7
97.67923	1.0
174.05573	3.7
188.07108	3.6
206.08102	14.1
304.09854	1.7
305.06491	0.9
306.07629	11.6
308.09741	1.0
308.13019	5.7
309.06497	1.0
310.10892	4.2
318.11490	4.5
319.11984	16.0
319.15244	1.0
320.09314	3.3
320.12881	1.2
321.10025	1.6
322.10696	23.9
322.14081	1.3
324.08893	5.3
332.12793	8.5
333.06546	1.3
334.07288	8.4
334.10822	1.2
336.12296	12.9
337.13129	23.4
339.11252	2.0
348.08707	1.2
349.09253	7.2
350.13846	21.1
351.14883	1.5
362.17328	1.3
364.15552	7.4
366.09494	1.2
376.19049	11.2
378.17053	17.8
393.19513	9.1
408.10861	6.1
408.21964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.253
Annotation	CHEMBL1821990
Peak:m/z	Relative Intensity
54.45542	0.7
61.89531	0.6
67.05511	1.2
69.07064	1.3
70.70782	0.7
79.05491	0.9
84.08160	1.4
85.06499	0.7
101.18013	0.7
102.68478	0.8
119.08578	0.8
130.08696	0.9
133.06700	0.7
148.09663	1.0
164.81387	0.7
180.08105	3.2
181.08867	1.1
182.09708	1.4
183.10507	1.4
196.07579	6.8
204.13876	4.1
222.14934	1.2
236.14380	1.1
264.17401	3.2
280.16794	1.2
292.17014	15.6
308.16632	1.1
310.17990	86.7
320.16522	3.4
322.18002	4.0
337.24188	0.9
338.17557	5.5
362.24811	3.8
372.23206	1.2
390.24213	7.9
408.25342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49203	0.8
56.05049	0.9
61.82615	0.9
62.80873	1.1
63.58053	0.9
67.05531	3.7
69.07049	1.7
71.12875	0.9
79.05505	1.4
81.07050	7.3
83.08608	1.1
86.09708	100.0
93.07041	1.1
95.08615	4.7
109.10143	2.0
121.10139	1.0
134.06042	1.8
146.11766	51.3
152.07091	6.8
152.44139	1.1
167.69763	1.1
348.32553	6.2
366.31070	4.5
376.31982	1.5
408.30905	4.5
408.34769	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50139	3.7
54.29668	3.7
55.05505	5.3
57.07076	29.0
71.08623	23.9
82.30914	4.7
85.10191	9.1
89.06029	94.8
106.75049	4.4
118.50960	4.2
133.08606	18.4
154.58589	4.2
195.12299	26.2
218.92204	5.4
391.34171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13149	0.5
70.06589	0.9
72.42749	0.4
83.18587	0.5
88.60808	0.4
124.77538	0.5
167.07022	2.7
168.07364	2.8
229.02882	0.7
230.61060	0.6
278.08090	2.4
292.09592	4.7
293.09058	0.8
294.07578	14.3
296.05905	0.7
296.09061	0.7
306.07324	0.8
307.08405	0.7
308.09164	7.7
318.07639	5.1
320.09198	12.5
322.07092	6.0
323.07861	1.0
324.08713	0.6
334.07138	1.0
336.08670	18.7
346.07056	14.5
348.08661	10.3
364.08102	11.0
374.06613	7.3
391.09070	0.7
392.02499	0.8
392.07629	22.6
409.10297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13149	0.5
70.06589	0.9
72.42749	0.4
83.18587	0.5
88.60808	0.4
124.77538	0.5
167.07022	2.7
168.07364	2.8
229.02882	0.7
230.61060	0.6
278.08090	2.4
292.09592	4.7
293.09058	0.8
294.07578	14.3
296.05905	0.7
296.09061	0.7
306.07324	0.8
307.08405	0.7
308.09164	7.7
318.07639	5.1
320.09198	12.5
322.07092	6.0
323.07861	1.0
324.08713	0.6
334.07138	1.0
336.08670	18.7
346.07056	14.5
348.08661	10.3
364.08102	11.0
374.06613	7.3
391.09070	0.7
392.02499	0.8
392.07629	22.6
409.10297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1393
Annotation	Dapagliflozin
Peak:m/z	Relative Intensity
61.11633	0.9
174.05525	5.3
200.07033	2.0
202.16652	1.2
236.09129	7.7
240.28087	1.2
290.08109	6.4
291.08850	8.4
292.06174	2.3
292.09573	2.2
305.06851	8.9
306.07632	9.6
307.08340	11.6
318.03894	13.0
320.09286	2.5
321.10098	1.2
322.10715	18.7
330.02716	1.2
333.06296	29.7
333.10013	1.5
334.07166	8.7
336.04953	1.5
336.12131	1.2
346.09372	1.2
348.08594	31.9
348.12454	1.5
349.09357	8.7
361.08264	4.9
366.09937	7.7
376.10590	1.7
391.12900	8.4
409.13977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
55.01875	1.8
57.21231	1.9
64.07080	2.0
65.16039	1.8
69.03428	8.4
73.02914	4.9
76.20187	1.8
81.03413	12.7
84.04528	2.5
84.08106	1.8
85.02895	21.3
97.02869	4.3
99.04456	86.5
103.03932	8.7
114.05540	33.8
119.04970	2.1
120.08148	2.9
121.28798	2.4
123.90071	1.9
131.04927	18.0
137.05986	39.1
142.04892	6.4
145.06516	4.7
147.04405	4.1
149.04648	2.9
149.05946	2.9
149.36049	2.2
151.07487	3.0
161.05986	2.8
163.05536	1.9
163.07532	20.2
166.07236	100.0
166.08612	5.2
169.05002	13.6
169.06377	5.8
170.04463	3.7
173.05988	2.6
174.07651	2.8
175.07539	10.3
177.05440	13.9
179.07014	15.0
183.04353	3.7
187.07518	10.3
191.07043	25.5
197.05980	9.6
201.05428	2.4
201.09177	4.2
203.07080	17.1
205.08725	2.9
207.06520	2.2
215.07101	16.6
217.08646	2.9
229.08665	13.1
233.08080	17.9
244.08183	9.7
247.09619	3.4
257.08096	11.9
265.58258	2.1
275.09201	17.5
283.65982	2.1
293.10056	8.5
314.68729	2.3
325.14209	2.3
409.14587	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44292	0.4
57.03399	0.5
58.06594	0.6
68.01973	0.4
70.06573	0.9
71.04971	0.6
81.03365	0.6
85.02875	0.5
99.04437	3.0
114.05530	26.8
126.05536	0.5
137.02370	1.0
138.01881	1.0
142.04988	7.1
146.04506	0.6
149.04520	3.5
152.03391	1.1
155.03369	1.0
165.06592	0.6
166.07234	100.0
169.04961	11.6
170.04483	2.2
174.07619	5.7
180.02924	2.6
184.06026	1.0
194.10400	0.5
198.07544	0.6
206.10474	0.6
212.05547	2.0
216.08841	3.3
220.08292	0.7
240.79407	0.5
244.08080	6.1
266.06763	0.5
281.07813	0.6
298.09286	0.8
377.12238	0.6
391.13440	0.8
409.14679	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
55.01875	1.8
57.21231	1.9
64.07080	2.0
65.16039	1.8
69.03428	8.4
73.02914	4.9
76.20187	1.8
81.03413	12.7
84.04528	2.5
84.08106	1.8
85.02895	21.3
97.02869	4.3
99.04456	86.5
103.03932	8.7
114.05540	33.8
119.04970	2.1
120.08148	2.9
121.28798	2.4
123.90071	1.9
131.04927	18.0
137.05986	39.1
142.04892	6.4
145.06516	4.7
147.04405	4.1
149.04648	2.9
149.05946	2.9
149.36049	2.2
151.07487	3.0
161.05986	2.8
163.05536	1.9
163.07532	20.2
166.07236	100.0
166.08612	5.2
169.05002	13.6
169.06377	5.8
170.04463	3.7
173.05988	2.6
174.07651	2.8
175.07539	10.3
177.05440	13.9
179.07014	15.0
183.04353	3.7
187.07518	10.3
191.07043	25.5
197.05980	9.6
201.05428	2.4
201.09177	4.2
203.07080	17.1
205.08725	2.9
207.06520	2.2
215.07101	16.6
217.08646	2.9
229.08665	13.1
233.08080	17.9
244.08183	9.7
247.09619	3.4
257.08096	11.9
265.58258	2.1
275.09201	17.5
283.65982	2.1
293.10056	8.5
314.68729	2.3
325.14209	2.3
409.14587	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.4
58.06605	16.3
59.49625	2.2
60.50931	2.2
65.59862	2.3
69.03436	4.2
72.08161	46.4
81.03422	30.4
84.04507	14.4
84.08162	3.1
85.02907	3.9
87.04941	2.6
97.02897	41.4
98.06015	3.4
99.04497	3.7
101.06026	3.9
105.56315	2.5
109.02881	4.4
111.04469	11.6
111.14673	2.6
114.05549	11.6
116.50495	2.4
118.08685	20.8
122.06004	2.6
126.05518	3.3
127.03926	3.7
130.05020	20.8
134.05998	3.8
136.07573	5.8
140.10719	21.8
142.05003	11.3
148.07590	11.8
156.10228	3.3
162.05458	16.7
164.07063	13.5
166.08691	5.1
176.07079	15.9
180.06584	4.7
180.68578	2.3
184.09689	100.0
184.11249	5.1
186.11237	20.6
192.06554	15.8
194.08119	15.9
194.51747	2.7
208.06044	65.7
226.07245	4.2
230.10188	61.1
238.07138	19.5
256.07990	10.5
325.13916	58.4
337.14078	3.7
355.14789	5.7
366.32855	2.8
373.16058	64.3
391.17102	54.7
399.28622	2.8
409.18228	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2195
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
52.97950	1.2
66.63562	1.1
66.87704	1.3
77.84224	1.2
86.09702	1.8
95.08599	1.3
97.06516	1.2
122.19975	1.3
142.42548	1.3
317.18893	2.4
332.48492	1.3
339.14282	2.5
409.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2195
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
56.76548	1.0
82.78526	1.1
85.69950	1.6
91.37724	1.1
99.82490	1.2
191.50919	1.1
373.17712	1.5
391.20773	1.3
409.21909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62134	0.6
53.50340	0.6
54.12860	0.7
63.70175	0.6
65.24732	0.7
66.82442	0.7
70.49277	0.8
76.74663	0.7
116.62058	0.9
172.17470	1.0
225.13374	0.8
246.83215	0.8
252.37534	0.7
276.20676	0.8
293.20868	1.6
322.60205	1.0
331.00690	0.8
349.23566	3.1
409.25571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26368	1.8
57.73629	1.6
57.79038	1.7
70.94838	2.1
93.07059	2.3
136.03632	2.0
201.81543	2.0
234.22009	2.1
270.04050	2.5
333.09436	4.7
336.20984	2.6
349.16858	2.5
349.21295	3.2
409.16321	13.5
409.25632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	1.3
58.89584	1.3
88.62311	1.5
109.10142	1.8
343.13718	1.8
408.10837	1.7
409.25565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49479	0.9
95.08581	1.3
113.00993	1.0
173.27318	1.4
186.35121	1.2
214.83076	1.0
269.13461	1.3
274.07980	1.3
313.41904	1.1
327.18445	2.3
336.12073	1.2
337.12738	1.4
345.19427	11.3
352.15320	1.1
353.41467	1.1
379.17282	2.4
405.44507	1.2
409.16406	13.8
409.25699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69201	1.1
70.02951	2.9
71.08627	3.4
81.07060	3.4
87.05595	8.1
88.03996	2.6
91.05502	1.6
93.07062	1.6
95.73465	1.3
99.08122	1.7
109.10150	1.9
133.06091	8.0
161.13260	1.6
266.59128	1.4
277.21582	2.4
308.19043	1.6
320.25955	1.7
334.10800	1.8
337.59872	1.7
346.23703	2.1
392.24158	2.2
409.25732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2696
Annotation	SB 311009
Peak:m/z	Relative Intensity
53.70392	1.6
66.25674	1.8
67.05527	9.0
69.07107	2.3
70.02956	20.9
71.08644	18.7
74.02431	3.0
79.05512	8.9
81.07063	18.9
83.08597	2.3
87.05590	33.6
88.04021	10.1
91.05494	7.7
93.07044	18.1
95.04975	1.9
95.08613	14.3
99.08098	16.9
105.07056	7.8
107.08601	11.6
108.19836	2.1
109.10165	2.3
111.29806	1.6
116.03482	4.1
119.08666	3.6
121.10165	11.1
133.06102	42.5
135.11716	13.9
142.36325	2.2
147.11691	3.3
149.13283	2.8
151.11215	4.6
161.13289	7.9
163.11226	2.9
179.14331	25.5
187.06400	1.9
189.12839	2.3
210.12306	2.1
277.21594	23.4
283.70441	2.0
337.12723	3.3
339.32684	2.0
346.23941	8.4
377.19565	2.8
379.17529	2.7
391.25497	3.0
392.24280	29.1
409.22113	10.2
409.26068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.8
58.13865	3.8
60.82647	3.6
67.05509	22.8
69.07068	10.8
79.05499	9.0
81.07034	36.6
91.05488	19.1
93.07035	45.2
95.04980	38.3
95.08597	23.1
97.06535	9.7
98.97558	4.9
102.70891	4.8
105.07036	66.3
107.08604	32.6
109.06545	6.0
109.10163	7.6
110.06030	4.0
111.78617	4.7
116.23079	4.5
117.06932	7.3
119.08562	57.1
121.06479	8.9
121.10130	9.8
125.91627	4.9
131.08528	20.5
133.10051	8.7
135.07993	5.3
135.11655	4.9
137.09601	6.7
138.31369	4.1
138.87834	4.2
143.08557	6.5
145.10135	42.3
147.08017	16.7
147.11723	32.7
149.09665	7.3
151.07574	15.0
157.10123	21.6
159.11745	9.3
161.09622	7.7
165.09084	23.3
171.11765	10.1
173.09511	4.6
183.11696	5.7
201.12709	4.4
207.13890	6.5
221.15341	35.9
339.73080	5.4
409.27075	100.0
409.31058	9.8
424.67035	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28063	1.3
53.65484	1.4
55.05523	2.5
55.20138	1.7
62.06644	1.9
62.48144	1.4
67.05504	4.2
67.30445	1.5
69.07076	33.4
79.05498	2.5
81.06612	3.5
81.07065	73.5
83.08628	1.6
85.05858	1.5
86.66245	1.8
93.07063	12.7
95.08608	28.2
107.08607	12.1
109.10150	11.0
121.10149	7.7
123.11683	2.9
130.06532	100.0
132.08057	3.3
135.11636	2.6
137.13310	2.9
144.08089	81.4
146.05998	24.2
149.13290	2.4
154.06564	7.4
156.08087	10.7
158.09705	2.1
160.07532	4.4
182.09695	3.2
188.07074	59.6
196.11250	7.8
197.14980	1.9
200.07050	28.6
202.08577	13.1
205.09731	12.7
208.11183	2.9
217.09781	20.3
242.11844	3.7
256.13300	3.6
313.20877	1.9
344.47821	2.0
392.25858	94.1
409.28500	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2945
Annotation	Hirsutalin E
Peak:m/z	Relative Intensity
51.62996	1.5
52.33427	1.7
53.62169	1.6
55.64777	1.7
61.81464	1.5
67.05495	7.9
69.07067	4.3
71.08620	10.7
77.11902	2.0
79.05512	2.6
81.07071	13.9
83.08634	3.3
91.05431	2.2
93.07048	8.0
95.04958	9.5
95.08596	11.3
97.06553	2.8
98.05943	2.0
99.08109	3.9
105.07056	4.0
107.08589	4.7
109.06516	12.4
109.10170	3.8
117.22097	2.0
119.08543	8.9
121.06483	7.9
121.10183	2.6
123.11720	2.7
133.10135	4.6
133.59848	2.2
135.08052	3.3
145.10130	4.5
147.11699	2.5
149.13254	2.2
161.13245	3.4
161.34946	1.9
163.06142	2.0
163.11230	3.8
165.12753	71.8
177.12718	3.4
189.51932	2.2
191.14328	9.0
198.82227	1.8
209.18953	1.9
240.18391	2.6
241.93108	1.9
250.68073	1.9
289.25232	7.0
317.24777	44.3
335.26093	2.7
391.28625	9.8
409.29449	100.0
409.38025	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05505	3.6
57.03445	1.5
57.07081	3.7
67.05505	8.6
69.07079	8.6
70.05155	0.6
71.08634	8.6
79.05488	4.1
81.07060	16.4
83.08599	3.3
85.06530	1.4
91.05484	3.0
93.07028	11.7
95.04978	8.0
95.08604	15.8
97.06537	5.7
98.06062	0.9
99.08093	5.6
105.07037	7.9
107.08593	7.5
109.06517	19.4
109.10137	5.4
111.08079	0.9
114.12782	0.9
116.57227	0.8
117.07016	1.1
119.08566	8.4
121.06510	7.2
121.10149	7.2
123.08088	1.8
123.11718	4.3
131.08566	3.5
131.98897	0.7
133.10143	4.5
135.08015	7.1
135.11720	3.9
145.10088	6.9
147.11696	4.9
149.09618	1.4
149.13252	3.1
151.11116	0.9
159.11691	3.9
161.13278	1.2
163.11154	10.0
165.12741	85.6
173.13319	1.3
177.12770	4.0
179.14287	1.8
191.14325	11.4
201.16376	1.5
205.15852	1.4
209.19005	1.7
219.17339	1.3
221.12048	0.7
261.18466	3.0
271.24066	1.1
279.18970	0.7
289.25262	7.9
299.23599	0.9
317.24750	51.6
335.25742	6.0
391.28397	10.3
409.29468	100.0
409.37210	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37291	1.0
55.01879	1.1
55.05516	2.4
57.03430	1.4
57.07067	1.8
67.05523	9.1
69.07068	10.2
71.08627	1.1
79.05511	5.5
81.07066	18.3
83.04991	2.1
83.08621	5.0
89.53448	1.0
93.07039	10.5
95.04985	2.4
95.08606	13.0
97.06532	6.3
105.07043	10.9
107.08624	8.9
109.06512	22.5
109.10164	6.4
116.54099	1.4
119.08592	8.7
121.06513	7.5
121.10125	9.0
121.42078	1.3
122.69595	1.2
123.08097	2.3
123.11720	1.8
131.08562	2.2
133.10159	7.5
135.08058	2.1
135.11716	2.5
137.09644	1.6
145.10147	9.6
147.11693	2.2
149.13336	1.9
151.11275	1.4
159.11748	2.8
161.13231	2.0
163.11179	20.0
165.12743	13.9
177.12827	1.6
219.17303	1.9
232.44252	1.3
261.18613	5.0
289.25299	7.5
299.23743	1.3
317.24747	40.3
409.29538	100.0
409.37802	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2944
Annotation	Hirsutalin E
Peak:m/z	Relative Intensity
53.16602	1.6
55.17234	1.4
57.03425	1.5
62.38848	1.6
67.05501	4.0
69.07066	10.6
71.08632	10.4
79.05498	2.2
81.07050	15.9
82.66818	1.7
83.04974	1.9
83.08634	3.6
90.05868	1.8
93.07043	10.5
95.04977	3.8
95.08611	4.2
97.06528	2.0
99.08089	3.4
105.07025	8.6
107.08601	11.1
109.06521	16.8
109.10170	7.6
111.08028	1.7
119.08593	7.9
121.06499	7.1
121.10147	7.2
123.11684	2.2
133.10074	2.7
135.11662	2.8
137.13292	2.2
143.08752	2.1
145.10173	3.9
147.11705	3.1
154.12263	4.2
159.11813	1.8
163.11197	8.1
165.12741	85.6
171.14967	2.1
177.12688	2.7
191.14336	12.0
195.12195	2.2
261.18695	2.2
289.25284	3.0
317.24734	54.2
335.25629	3.1
339.48679	2.3
391.28384	9.5
409.29523	100.0
409.37659	2.6
425.43527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34117	2.0
53.54308	1.7
55.05513	4.2
57.07096	1.9
67.05500	11.2
69.07068	2.2
71.97552	1.9
73.36426	2.3
78.47729	1.9
81.07059	14.3
83.06113	15.3
84.04514	53.0
91.05505	2.4
93.07022	4.1
95.08621	10.8
101.07136	10.2
105.07012	3.3
107.08607	3.7
109.10192	4.8
111.02676	2.1
121.10146	3.4
129.06607	40.2
130.05009	100.0
134.94606	2.5
136.55699	2.4
147.07651	29.6
147.11711	4.2
156.27750	2.7
197.08118	3.3
210.23555	2.2
210.76176	2.3
238.38745	2.6
244.97543	2.2
263.23535	2.5
358.73700	2.8
392.27917	3.7
409.24084	21.9
409.30426	23.6
409.35452	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35614	1.5
57.07077	1.8
60.04529	12.7
61.00378	1.7
67.05505	4.5
69.07088	4.1
71.08624	1.9
73.22953	1.8
73.57053	2.0
79.05531	1.7
81.07064	10.7
83.08656	3.2
87.05576	10.5
88.03994	7.2
93.07069	3.5
95.08625	9.3
99.08094	2.0
102.05553	100.0
105.06993	3.0
107.08591	2.8
109.10170	3.7
121.06533	2.2
121.10145	3.8
130.04993	2.9
132.11211	2.0
145.10139	2.2
147.07657	15.2
155.13989	1.9
159.34056	1.7
170.57523	2.6
173.13164	2.0
195.13759	2.4
281.15607	2.4
364.28409	10.9
392.27859	20.2
409.27411	7.5
409.34756	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45728	1.6
55.05510	2.9
57.07067	1.6
63.85108	1.5
66.63139	1.5
67.05497	9.3
69.07077	6.9
72.32827	1.7
79.05505	3.6
81.07060	15.6
83.08588	2.7
91.05473	2.7
91.76376	1.9
93.07040	3.8
95.08601	12.7
97.10159	3.2
102.53442	1.9
104.72761	1.7
105.07047	3.1
107.08570	9.5
108.67470	1.9
108.81359	1.7
109.06593	1.9
109.10143	9.1
111.11711	2.1
119.08568	10.8
121.06504	1.8
121.10160	12.1
131.08571	6.9
133.10092	11.5
135.11661	4.1
137.05974	2.0
145.10092	5.8
147.07977	2.8
147.11674	7.5
149.13295	4.1
157.10036	1.9
159.11719	3.1
161.09683	1.8
161.13217	3.2
163.11136	1.9
173.13271	4.0
175.11186	2.1
175.14796	2.6
185.09599	3.2
241.06111	2.0
300.26819	7.8
301.25223	12.0
311.23547	9.1
328.26355	18.5
329.24750	22.6
339.23056	6.7
346.15027	1.6
346.27240	7.0
347.25677	15.4
357.24173	8.7
375.25204	11.5
392.23087	3.2
392.27893	70.8
409.16473	12.2
409.25558	16.5
409.30554	100.0
423.12122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3092
Annotation	CHEBI:68082
Peak:m/z	Relative Intensity
51.88212	2.1
53.63466	2.1
55.05520	4.6
58.93529	2.9
67.05500	3.4
68.81929	2.4
69.07076	16.1
69.69884	2.7
71.08630	16.1
81.07072	6.7
83.08619	5.6
95.08593	12.8
109.10160	5.8
119.04893	2.8
121.95907	2.5
123.11635	3.9
163.07549	15.7
164.07895	6.8
185.13260	6.3
188.24133	3.0
195.11815	8.5
197.13260	3.8
203.06953	10.0
213.12733	5.2
223.14902	5.6
241.16130	3.1
267.17319	6.3
295.20404	5.3
309.22168	4.7
409.31076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.31
Annotation	CHEBI:68082
Peak:m/z	Relative Intensity
55.05515	6.2
57.07087	15.5
62.71196	1.1
67.05514	2.9
69.07072	100.0
71.08604	1.2
79.05499	1.9
81.07059	8.7
83.08627	26.8
86.09715	5.9
91.05535	1.1
92.78168	1.0
93.07001	2.2
95.08614	6.1
104.28672	1.6
107.08589	2.0
109.10174	7.8
123.11686	4.9
125.13284	16.0
146.11778	5.0
152.07091	1.6
153.07437	1.8
155.08568	4.6
157.10088	1.6
171.08003	1.4
171.11726	7.1
173.09552	2.5
183.11708	6.6
195.11650	2.3
197.13216	4.8
201.45708	1.2
211.11151	1.3
213.12740	1.5
223.14818	4.3
249.16397	1.9
265.15756	5.0
267.17450	6.6
277.19638	1.2
279.21017	1.4
321.22220	1.5
391.29779	2.6
409.26141	2.0
409.30948	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.31
Annotation	CHEBI:68082
Peak:m/z	Relative Intensity
55.05510	2.4
57.07077	7.5
57.82256	0.8
69.06700	1.9
69.07072	45.5
81.07056	4.5
83.04971	1.7
83.08629	10.7
89.61906	1.0
93.07043	1.6
95.08621	2.1
97.06517	5.2
99.62294	0.9
109.06535	1.2
109.10159	4.4
121.06444	1.5
121.10120	1.3
123.08041	1.3
137.13272	1.5
157.10069	3.8
161.13223	1.2
169.10095	1.5
171.11693	1.9
173.09618	2.0
175.11084	1.2
183.11752	2.2
185.13229	1.7
195.11813	1.3
197.13239	1.1
199.11264	1.1
201.12737	8.0
209.13248	1.4
223.14859	1.2
225.16327	1.1
227.14287	5.9
228.15085	5.3
230.12973	1.1
239.14264	1.2
241.15848	1.9
251.14180	1.8
266.16568	1.3
267.17352	5.3
269.15286	3.7
284.17700	30.2
285.15018	1.2
285.18472	1.8
365.28418	2.1
372.37637	1.2
390.73102	1.1
409.30939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3101
Annotation	CHEBI:68082
Peak:m/z	Relative Intensity
50.12745	1.0
55.05505	1.7
56.03094	1.0
57.07080	9.1
65.94254	1.0
67.05505	2.1
69.07066	18.3
71.08623	6.1
81.07061	6.4
83.08628	13.5
84.95735	1.2
85.10167	2.0
89.05556	1.7
89.06030	14.1
90.06364	1.6
93.07070	1.7
95.08588	5.4
97.06511	3.0
105.07053	2.4
107.08605	5.4
109.06531	5.2
109.10142	2.2
111.64740	1.1
119.08566	2.5
121.06542	5.1
123.08077	5.8
123.11690	1.7
133.08614	1.7
133.10097	1.6
135.08017	1.9
135.11682	4.4
143.08583	2.8
145.10150	1.6
147.08060	2.0
155.08546	1.5
157.10117	1.8
159.11678	1.8
161.09528	2.4
161.13287	1.8
169.10081	1.3
171.11699	6.1
173.09618	5.9
173.13290	2.0
183.11711	1.7
185.13193	1.6
189.12750	2.1
195.12062	1.9
201.12769	7.4
209.13126	2.0
211.14775	2.1
218.06219	1.4
227.14278	2.4
229.15877	18.4
231.17433	5.1
241.15785	1.9
266.16647	6.0
284.17654	1.3
315.79141	1.4
391.29980	4.8
392.34491	22.0
409.30963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3313
Annotation	Diacarnoxide C
Peak:m/z	Relative Intensity
52.25743	8.0
55.05511	7.2
57.07085	100.0
57.14188	7.5
60.81841	7.3
65.27874	7.1
71.08648	99.4
85.10183	45.3
96.85303	8.3
99.96690	8.2
127.83192	8.1
138.28107	9.2
151.07542	51.1
165.09119	54.5
171.52330	9.4
177.09120	22.3
179.10765	13.7
191.10747	13.3
195.10149	10.9
232.84158	9.8
393.05420	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
61.00288	1.8
67.05505	22.0
68.78522	2.0
69.07066	4.4
70.37206	2.0
76.61363	1.9
79.05489	4.1
79.56644	2.5
81.07059	33.8
83.08614	3.5
85.86850	2.1
89.70819	2.0
91.05447	3.6
93.07053	16.5
95.08609	38.5
97.10163	4.0
105.07021	13.6
107.08591	13.2
107.14961	2.1
109.10170	16.2
111.08015	2.3
119.08568	10.4
121.10165	19.2
123.11686	5.0
125.09653	3.3
131.08568	15.4
133.10121	15.5
135.11691	15.8
139.00105	2.4
143.08487	2.3
145.10106	14.2
147.11667	10.9
149.13275	3.5
157.10170	3.3
159.11702	10.1
161.13138	2.3
173.13245	3.2
185.13240	4.1
193.19423	2.3
229.38257	2.5
332.14575	2.3
339.26801	8.7
346.35916	2.1
356.29446	10.4
357.27835	23.2
374.30429	30.7
375.28860	13.8
378.52698	2.2
391.33084	11.3
392.31430	24.4
409.34241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82433	1.5
55.05511	6.4
57.07058	1.4
64.03626	1.2
66.40096	1.4
66.62513	1.4
67.05512	22.3
67.73775	1.4
69.07065	11.8
71.08609	1.3
79.05483	9.1
81.07060	34.8
83.04977	1.5
83.08622	11.0
85.06541	1.5
85.07252	1.2
90.32120	1.3
91.05471	6.3
93.07041	21.4
95.04980	1.5
95.08615	40.0
97.06556	2.6
97.10148	9.1
105.07044	13.5
107.08599	20.7
109.10168	18.9
111.08047	1.9
117.07014	1.8
119.08566	13.1
121.10140	24.0
123.08047	1.9
123.11697	6.7
125.09682	1.5
129.07013	1.4
131.08557	14.4
133.10136	12.0
135.11696	13.4
137.09560	1.6
143.08514	3.1
145.10115	16.6
147.11707	11.1
149.13240	9.9
157.10161	1.7
159.11681	9.5
161.13249	3.3
163.14908	1.7
169.10262	1.4
171.11639	3.4
173.13251	8.4
175.14888	1.9
185.13257	3.4
187.14719	2.1
190.16257	1.5
199.14828	2.5
201.16331	1.8
203.14268	1.6
227.17839	1.5
245.18999	2.6
247.20441	1.6
303.29846	1.7
328.04700	1.5
329.28415	6.0
339.26761	7.0
356.29498	16.5
357.27890	24.2
374.30496	35.5
375.29004	19.2
391.33017	5.5
392.31525	26.5
407.20862	1.5
409.25635	4.8
409.34225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
55.26101	1.7
57.07090	3.0
58.33379	1.7
60.14085	1.7
60.45308	1.7
60.86068	2.1
62.63282	1.8
67.05510	29.0
69.07073	15.1
70.17146	1.7
75.67532	1.9
79.05495	19.1
80.14848	1.8
81.07064	37.2
82.42496	1.9
83.05013	3.0
83.08617	13.9
86.51717	1.7
91.05477	11.0
93.07061	30.3
95.08612	34.6
97.10139	4.1
97.14470	1.9
104.21452	1.9
105.07057	15.8
107.08611	32.2
109.10151	22.2
111.11731	2.6
117.06989	7.5
118.75762	2.1
119.08588	13.0
121.10149	33.8
123.11700	4.8
131.08566	18.2
133.10078	17.8
135.11710	29.4
139.42288	2.1
145.10114	14.5
147.11703	11.5
149.09673	2.7
149.13255	11.7
157.10165	4.6
159.11719	19.5
161.09547	2.2
163.14853	2.1
163.55003	2.2
168.59601	2.3
171.11684	4.5
173.13257	10.1
175.11165	4.0
175.14735	2.5
177.12679	2.6
185.13295	4.0
192.13870	2.5
224.13702	2.4
329.28366	4.0
339.26874	10.4
356.29437	11.3
357.27850	36.5
374.30560	34.5
375.28909	12.3
391.33246	3.4
392.31573	36.9
409.34268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75951	2.3
53.72571	2.2
55.05521	4.8
57.07087	4.1
63.59679	2.2
64.19640	2.6
67.05503	3.5
69.07069	14.9
71.08627	4.5
75.72295	2.6
77.71671	2.3
81.07053	13.8
83.08632	11.4
93.07069	4.0
95.08598	25.2
97.06554	5.7
97.10130	2.8
107.08575	6.8
109.10164	28.1
111.08115	12.0
119.08574	29.9
121.10108	4.3
123.11724	11.6
131.08585	5.7
133.10106	6.8
137.09612	6.3
137.33620	2.7
145.10098	5.5
147.11684	5.7
149.09634	4.4
149.13222	3.5
159.11725	3.6
163.11147	4.1
171.11732	11.4
173.13321	3.4
175.14662	3.9
199.14778	2.7
205.15942	3.3
231.17273	3.3
301.25418	3.6
303.26941	3.2
391.33380	6.5
409.29324	4.1
409.34671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	8.1
57.07076	0.8
67.05504	3.7
69.07076	5.6
70.06578	0.8
71.08646	1.1
74.47378	0.7
82.43771	0.7
83.08629	0.8
85.10153	0.7
91.05470	1.2
93.07056	1.4
95.08609	3.6
108.53318	0.8
109.10169	12.8
119.08572	3.3
124.31051	0.7
126.12724	0.9
131.14481	0.7
136.11206	1.4
137.09642	4.4
154.12270	100.0
163.07555	0.8
164.07899	0.9
171.14920	41.4
233.99199	0.7
285.82257	0.8
392.35199	1.8
409.23083	9.1
409.38074	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94635	0.6
55.50684	0.5
58.06588	0.7
62.64627	0.6
89.56838	0.6
92.07703	0.6
92.21560	0.7
100.70308	0.6
107.25141	0.6
111.47657	0.7
138.02640	0.7
295.15256	0.7
307.08380	1.0
309.11200	1.3
319.08679	1.0
320.05582	1.4
320.09204	1.4
321.06430	2.8
323.11435	5.6
326.10214	5.1
334.10648	2.5
336.08646	54.0
338.10019	0.8
351.10928	12.6
364.08228	8.2
365.09167	0.8
366.09668	9.8
379.10593	1.0
380.07733	0.8
382.12833	8.0
394.09238	30.4
395.09961	5.5
410.12320	100.0
410.23380	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29472	0.6
60.47751	0.6
64.95036	0.6
71.35794	0.8
157.79561	1.0
229.07294	1.6
292.05957	6.6
317.06821	1.4
320.05539	100.0
335.07870	66.0
350.10236	48.2
366.09903	1.3
369.19400	1.8
377.08893	1.0
380.07700	13.0
385.30212	0.9
387.20853	2.6
395.09970	9.2
410.12384	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47847	0.4
75.04467	1.9
75.48716	0.3
92.20930	0.6
103.80070	0.5
151.89624	0.4
155.13733	0.4
197.86133	0.4
229.07457	2.7
247.08441	0.7
306.07654	0.9
308.09235	3.4
319.08209	0.5
320.08823	0.9
334.10727	0.9
335.07767	1.5
335.11176	0.5
336.08649	100.0
346.34766	0.4
350.10138	0.6
351.18658	0.6
364.08276	0.6
369.19452	0.8
387.20456	2.5
410.12326	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62972	0.6
58.45846	0.7
70.06615	1.2
72.08155	1.6
73.86903	0.8
84.05403	0.7
96.45283	0.9
99.04459	1.2
136.07602	1.0
251.49539	0.8
280.08414	14.7
295.10760	52.5
296.05667	1.0
306.10135	1.5
321.08652	4.5
321.12234	29.6
323.12561	1.3
349.11920	1.8
350.08896	1.2
351.12140	31.5
364.12924	6.5
365.11230	11.0
366.10486	2.4
366.14478	27.0
378.08502	1.4
392.12485	4.4
393.10840	24.0
395.11313	1.5
410.13495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54341	0.3
51.82023	0.3
65.32310	0.4
69.33250	0.4
71.15826	0.3
75.62537	0.4
76.11691	0.4
83.83153	0.4
107.91261	0.6
110.53737	0.4
145.07433	0.4
179.41104	0.4
183.56427	0.4
196.39902	0.4
208.07976	0.5
247.08571	0.5
269.10568	0.7
277.53427	0.4
351.18536	1.4
366.11075	0.6
366.20511	0.6
369.19632	4.2
380.07834	1.6
380.12698	0.9
382.10275	0.4
382.14520	4.3
387.20453	0.8
392.12692	1.4
394.10513	0.6
395.10590	1.7
410.13873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54341	0.3
51.82023	0.3
65.32310	0.4
69.33250	0.4
71.15826	0.3
75.62537	0.4
76.11691	0.4
83.83153	0.4
107.91261	0.6
110.53737	0.4
145.07433	0.4
179.41104	0.4
183.56427	0.4
196.39902	0.4
208.07976	0.5
247.08571	0.5
269.10568	0.7
277.53427	0.4
351.18536	1.4
366.11075	0.6
366.20511	0.6
369.19632	4.2
380.07834	1.6
380.12698	0.9
382.10275	0.4
382.14520	4.3
387.20453	0.8
392.12692	1.4
394.10513	0.6
395.10590	1.7
410.13873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15310	0.5
53.03936	1.3
69.03413	4.4
71.04979	3.8
81.03424	5.3
85.02916	4.8
89.05531	1.0
89.06031	24.3
97.02873	6.1
99.04462	23.8
100.44478	0.7
109.02872	3.0
115.03915	9.5
121.06434	0.8
127.03898	4.6
128.29893	0.7
132.05576	38.0
135.06505	5.2
145.04904	1.3
150.06624	100.0
163.03897	3.7
255.28166	0.8
261.09653	1.2
279.10681	1.0
280.10117	0.9
285.49500	0.8
294.10754	1.6
312.11908	6.7
339.07413	0.7
392.16422	0.8
410.15482	48.6
424.23898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
70.41007	0.4
78.37363	0.5
92.04532	0.5
117.38869	0.4
136.55359	0.5
177.25790	0.5
182.84193	0.5
213.08038	2.9
216.63579	0.5
225.07910	0.7
225.71477	0.5
229.07512	3.0
231.09099	1.1
239.09662	0.8
241.11092	3.5
243.09087	0.7
247.08490	3.4
251.09549	3.6
255.09251	0.7
259.12109	3.9
269.10590	20.5
287.11646	9.3
292.09592	4.1
306.07687	2.9
315.16556	0.7
320.09265	7.0
321.09961	10.3
333.17297	8.6
334.10883	1.9
336.12268	17.6
348.08737	1.9
349.09540	0.8
350.10196	8.8
351.18451	16.7
352.11838	0.6
364.11758	26.3
365.12677	1.0
366.09164	0.7
366.13397	12.2
369.19476	39.9
378.13156	1.6
380.11227	15.4
387.20532	18.3
394.12881	10.5
395.13715	16.2
395.18179	0.6
410.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1597
Annotation	5-O-Demethylpaxanthonin
Peak:m/z	Relative Intensity
56.96564	0.6
70.41007	0.4
78.37363	0.5
92.04532	0.5
117.38869	0.4
136.55359	0.5
177.25790	0.5
182.84193	0.5
213.08038	2.9
216.63579	0.5
225.07910	0.7
225.71477	0.5
229.07512	3.0
231.09099	1.1
239.09662	0.8
241.11092	3.5
243.09087	0.7
247.08490	3.4
251.09549	3.6
255.09251	0.7
259.12109	3.9
269.10590	20.5
287.11646	9.3
292.09592	4.1
306.07687	2.9
315.16556	0.7
320.09265	7.0
321.09961	10.3
333.17297	8.6
334.10883	1.9
336.12268	17.6
348.08737	1.9
349.09540	0.8
350.10196	8.8
351.18451	16.7
352.11838	0.6
364.11758	26.3
365.12677	1.0
366.09164	0.7
366.13397	12.2
369.19476	39.9
378.13156	1.6
380.11227	15.4
387.20532	18.3
394.12881	10.5
395.13715	16.2
395.18179	0.6
410.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.9
68.03045	0.4
71.15542	0.3
75.15907	0.3
83.08633	0.6
84.15574	0.4
86.91259	0.4
90.66409	0.5
148.95229	0.4
165.18506	0.4
197.49069	0.5
199.06340	0.5
213.07964	1.6
229.07556	1.9
231.09042	1.6
239.09464	0.8
241.11037	3.2
243.08983	0.5
247.08557	1.7
251.09601	2.6
255.09052	1.0
259.09653	0.6
259.12061	3.8
269.10571	18.6
287.11624	9.0
292.09634	6.0
292.12622	0.7
304.09723	0.8
305.78183	0.5
306.07535	3.1
307.08197	0.6
315.16333	0.4
320.09131	8.2
321.09894	9.6
333.17294	6.6
334.10651	0.9
336.08853	0.7
336.12265	19.7
348.08807	0.8
349.09335	0.8
350.10205	10.2
351.18365	15.9
352.11765	0.6
356.43985	0.5
364.11734	29.1
365.12451	0.5
366.13348	13.9
366.17542	0.8
369.19485	24.8
378.12946	2.8
380.11224	17.7
387.20493	23.5
394.12854	11.2
395.13638	16.8
410.15973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
70.41007	0.4
78.37363	0.5
92.04532	0.5
117.38869	0.4
136.55359	0.5
177.25790	0.5
182.84193	0.5
213.08038	2.9
216.63579	0.5
225.07910	0.7
225.71477	0.5
229.07512	3.0
231.09099	1.1
239.09662	0.8
241.11092	3.5
243.09087	0.7
247.08490	3.4
251.09549	3.6
255.09251	0.7
259.12109	3.9
269.10590	20.5
287.11646	9.3
292.09592	4.1
306.07687	2.9
315.16556	0.7
320.09265	7.0
321.09961	10.3
333.17297	8.6
334.10883	1.9
336.12268	17.6
348.08737	1.9
349.09540	0.8
350.10196	8.8
351.18451	16.7
352.11838	0.6
364.11758	26.3
365.12677	1.0
366.09164	0.7
366.13397	12.2
369.19476	39.9
378.13156	1.6
380.11227	15.4
387.20532	18.3
394.12881	10.5
395.13715	16.2
395.18179	0.6
410.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1598
Annotation	5-O-Demethylpaxanthonin
Peak:m/z	Relative Intensity
52.99369	0.6
53.70962	0.6
53.84104	0.8
58.75608	0.7
61.29394	0.6
86.71533	0.8
105.97591	0.7
107.26000	0.7
135.85170	0.8
196.91525	0.8
199.31329	0.7
234.63745	0.8
263.09146	0.9
291.08792	1.0
292.10040	1.5
307.12003	54.8
320.09286	1.5
322.10721	25.3
334.10837	5.3
335.11578	1.2
336.08630	2.5
336.12253	24.9
352.11887	8.0
366.13440	5.8
380.11264	35.2
380.15854	1.6
394.13046	8.1
395.13773	6.2
410.16107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99369	0.6
53.70962	0.6
53.84104	0.8
58.75608	0.7
61.29394	0.6
86.71533	0.8
105.97591	0.7
107.26000	0.7
135.85170	0.8
196.91525	0.8
199.31329	0.7
234.63745	0.8
263.09146	0.9
291.08792	1.0
292.10040	1.5
307.12003	54.8
320.09286	1.5
322.10721	25.3
334.10837	5.3
335.11578	1.2
336.08630	2.5
336.12253	24.9
352.11887	8.0
366.13440	5.8
380.11264	35.2
380.15854	1.6
394.13046	8.1
395.13773	6.2
410.16107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99369	0.6
53.70962	0.6
53.84104	0.8
58.75608	0.7
61.29394	0.6
86.71533	0.8
105.97591	0.7
107.26000	0.7
135.85170	0.8
196.91525	0.8
199.31329	0.7
234.63745	0.8
263.09146	0.9
291.08792	1.0
292.10040	1.5
307.12003	54.8
320.09286	1.5
322.10721	25.3
334.10837	5.3
335.11578	1.2
336.08630	2.5
336.12253	24.9
352.11887	8.0
366.13440	5.8
380.11264	35.2
380.15854	1.6
394.13046	8.1
395.13773	6.2
410.16107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93148	0.7
63.44092	0.7
66.53697	0.7
84.08121	0.7
86.09711	100.0
117.05483	4.4
124.67693	0.7
132.10207	85.9
157.22337	0.8
270.72202	0.7
291.91455	0.8
324.65231	0.7
358.69614	0.8
410.16190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.6
60.77348	7.3
67.05504	33.5
71.12706	6.6
79.05484	43.1
81.07050	44.8
88.29336	6.6
91.05471	39.2
93.07053	57.5
95.04963	16.9
95.08607	35.1
96.04503	9.6
97.06506	8.5
103.05486	7.3
104.42969	6.9
105.07021	98.6
107.08625	35.3
109.06506	19.2
109.10155	16.1
117.07029	17.9
119.08607	88.7
120.08095	9.3
121.10135	18.2
123.11735	9.5
126.90324	8.2
131.08588	93.5
132.08052	10.9
133.10127	100.0
134.09622	9.5
135.11696	13.1
142.07776	14.0
143.08525	56.2
144.08122	11.5
145.10150	83.2
147.11681	10.7
155.08574	10.8
156.09383	8.3
157.10107	70.0
158.10892	11.2
159.11656	36.7
169.10188	15.2
171.11694	35.8
173.13263	65.2
175.14813	12.7
181.10147	17.0
183.11772	18.1
187.14870	56.9
191.45569	10.7
195.11636	16.5
195.47607	8.1
197.13301	18.2
199.14716	10.0
209.13245	11.9
211.14868	9.8
283.16882	31.4
333.17554	59.2
351.18436	32.4
369.14996	9.6
393.57465	8.3
410.23199	18.5
410.31125	9.0
410.37827	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59346	5.6
55.05503	13.5
58.01616	4.9
67.00573	4.8
67.05497	30.9
69.07077	23.0
70.96615	5.1
77.43216	4.9
79.05495	39.0
81.07057	38.5
91.05486	45.8
92.33593	4.8
93.07045	79.1
94.06568	10.5
95.04969	27.1
95.08601	39.8
96.04504	10.5
105.04570	5.8
105.07029	83.7
107.08575	42.0
107.46793	5.9
108.08150	5.9
109.06517	7.1
109.10144	25.3
112.03945	12.9
113.18097	5.3
117.07024	35.5
119.08584	84.4
120.08073	10.9
121.06487	6.5
121.10123	36.4
129.07013	9.1
131.08556	73.3
132.08163	7.5
133.10139	100.0
134.62239	6.1
135.11696	30.9
138.44664	5.3
138.69682	5.1
142.07776	9.7
143.08588	36.8
144.08070	22.0
145.10126	84.0
147.11617	9.7
157.10150	54.2
158.10866	10.1
159.11681	30.9
164.06903	6.5
167.08569	7.1
169.10147	35.7
170.09544	7.5
171.11676	37.5
173.13301	72.2
175.14786	24.3
181.10205	10.7
182.10922	6.7
183.11679	26.1
184.12534	7.6
185.13370	12.3
187.14835	57.4
195.11699	25.4
197.13239	37.4
199.14838	9.1
208.11147	8.3
209.13347	10.1
223.14914	8.7
239.18123	7.7
248.10223	5.7
251.17986	9.1
300.07840	5.3
332.23642	13.5
333.17453	21.2
334.21396	7.6
337.36234	5.8
351.18536	7.4
393.22977	12.6
410.23123	31.0
410.28568	11.5
410.38266	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2688
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
55.94760	0.6
67.05519	0.8
69.07056	1.1
72.08145	1.2
79.05517	1.0
81.07081	2.4
91.05475	3.0
93.07049	7.6
95.04956	1.5
99.04432	0.7
102.34628	0.6
103.05472	4.0
105.07029	0.9
109.10160	0.7
119.08662	1.0
120.89231	0.6
121.06503	90.3
133.10164	1.0
159.11708	1.4
185.09328	0.7
215.64795	0.8
272.20081	36.5
275.13065	1.1
285.53937	0.8
290.21143	50.2
321.10159	0.8
410.26923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63813	2.6
67.05540	2.4
67.89954	2.4
69.07092	11.3
81.07071	4.0
82.74184	2.5
90.61101	2.8
95.08640	4.1
109.10191	3.7
111.34941	2.6
133.06493	3.7
187.07657	13.1
197.09583	4.7
201.09131	4.6
211.07578	11.2
211.11217	5.5
225.09148	26.1
225.12793	4.4
235.11308	4.1
238.09976	5.8
239.10771	13.2
240.03377	2.9
240.11429	3.7
241.12134	4.8
251.10585	3.7
252.11404	4.2
253.12213	100.0
255.13855	11.6
256.14334	3.5
265.12088	5.2
266.13058	4.3
267.13882	13.7
268.14655	26.2
271.13248	29.8
279.13687	4.2
281.15359	6.3
286.15613	11.1
293.15320	4.1
295.16968	3.1
306.16071	3.3
309.18570	25.0
321.18573	17.4
327.19681	13.2
336.20865	3.3
349.21445	9.1
375.36420	3.0
377.24747	83.8
392.27170	25.5
395.25800	89.2
410.27783	27.4
417.82346	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.8
67.05502	27.3
69.07059	13.1
79.05478	28.0
81.03448	6.5
81.07053	32.5
83.08624	6.8
86.55923	5.5
91.05460	11.0
91.50181	5.8
93.07041	33.1
95.04979	7.6
95.08599	25.9
99.04456	100.0
105.07044	14.8
107.08604	11.2
109.10105	9.3
112.03959	6.6
112.07557	5.8
115.67047	6.1
116.07076	5.9
119.08578	29.1
121.10122	10.8
131.08516	7.1
133.10132	28.9
135.11722	6.8
135.93929	5.9
145.10077	8.2
147.11725	21.6
177.55542	7.4
241.19467	8.4
259.20569	30.4
277.21567	11.9
294.21548	21.9
295.24823	7.0
375.25226	40.0
375.30283	8.2
392.27975	11.5
393.32065	10.5
410.28799	37.6
410.34570	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2899
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
54.63372	1.3
55.05520	2.6
56.05044	1.7
57.07076	2.8
58.89341	1.3
67.05499	14.9
69.07056	6.7
73.12525	1.4
81.07060	23.0
83.07390	1.5
83.08608	2.9
84.04507	73.9
91.05441	2.2
93.07027	6.2
95.08591	20.2
97.10197	1.9
102.05542	42.4
107.08615	2.6
109.10146	8.0
123.11684	3.2
130.04999	96.8
131.03479	1.9
133.10123	2.5
147.11729	2.1
148.06042	100.0
155.01082	7.3
234.90732	1.7
245.22595	3.0
263.23602	7.9
264.62579	1.6
294.24054	2.5
311.85117	1.4
364.28442	2.3
393.23865	5.9
410.28723	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
57.07084	17.6
63.38323	1.2
65.33694	1.2
69.07059	2.0
70.79981	1.2
71.08631	20.4
75.04485	10.5
80.02535	1.3
81.07041	2.0
85.10178	9.7
95.08630	1.6
98.00053	2.5
102.51525	1.2
108.02104	1.9
109.00525	20.6
110.71149	1.5
121.10166	1.4
126.03164	100.0
138.03133	2.4
155.35443	1.5
164.04738	5.4
165.03125	3.2
176.57245	1.5
182.05759	7.0
184.07292	1.5
189.00331	1.6
271.91815	1.6
375.25238	2.3
392.29211	34.5
410.12543	1.7
410.30212	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.03446	1.1
57.07076	1.9
60.04533	1.1
67.05495	6.7
69.07069	5.1
75.64726	0.9
79.05482	4.8
80.05058	0.8
81.07057	5.9
83.08617	2.3
85.06548	3.6
91.05465	2.0
93.07020	1.9
95.04971	6.1
95.08603	6.2
97.06502	0.9
97.10168	1.9
105.07034	1.2
109.10184	2.1
112.07602	13.1
113.05997	26.5
119.08553	1.7
121.10178	1.3
133.10143	1.5
136.07549	1.4
138.09143	8.7
150.09151	1.1
154.08633	31.3
168.10187	3.8
184.09662	1.0
262.25253	4.1
344.29297	1.2
362.30560	16.2
374.30597	4.4
380.32318	1.2
392.31555	100.0
410.32617	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87390	0.8
56.67603	0.8
67.61800	1.0
70.02958	1.1
71.95321	1.0
72.37325	0.9
74.02449	16.8
85.02904	1.3
86.09707	13.2
86.36613	1.0
87.05595	39.6
87.10040	5.1
88.04002	7.2
116.03416	8.5
121.06454	1.8
123.75990	0.9
130.64337	0.9
132.10228	9.7
133.06088	100.0
133.10504	4.4
172.44220	1.1
393.15598	1.3
411.17023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1648
Annotation	Iandonone
Peak:m/z	Relative Intensity
59.17420	0.2
69.03427	0.6
85.02903	1.9
88.30431	0.3
91.05470	1.7
99.04446	0.3
109.02891	0.4
119.04945	6.5
127.03890	0.5
145.98849	0.3
147.04410	100.0
165.05461	1.9
207.62050	0.3
207.99068	0.3
231.10152	13.4
234.11021	0.3
242.20616	0.3
249.11206	2.8
267.23853	0.4
294.08572	0.4
306.16354	0.3
309.09607	1.7
355.11700	0.4
383.11276	0.4
393.15424	1.5
411.11511	2.4
411.16522	2.1
429.11032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58037	0.5
55.60226	0.4
58.06606	0.5
59.71936	0.4
60.78028	0.5
63.77958	0.4
69.03421	0.9
69.29517	0.5
71.04993	7.0
83.04967	0.9
85.02907	12.8
90.84903	0.5
92.13029	0.5
93.93459	0.5
99.04478	0.7
129.05501	3.8
131.81668	0.5
147.06566	1.1
149.51511	0.5
164.07115	0.6
167.65735	0.5
188.07115	2.7
190.08629	2.4
209.39223	0.6
218.08215	0.6
250.47435	0.5
274.06360	0.5
276.07724	0.6
290.08533	1.0
292.09741	2.5
294.07669	1.2
304.07031	3.7
306.07739	1.0
307.08350	0.8
308.09146	4.2
320.09137	32.4
321.09879	4.8
322.10706	10.7
323.11514	1.9
332.26077	0.6
334.10648	5.5
335.11563	3.4
336.12311	7.2
338.10358	2.0
339.09879	1.1
349.29550	0.6
350.10077	0.7
350.13870	2.9
352.11615	7.7
353.12537	0.7
364.12122	0.7
365.12418	0.6
366.13351	2.3
367.16592	2.8
380.15149	2.5
381.14429	5.4
393.18158	5.1
395.15994	2.3
396.16946	0.8
411.19171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92627	0.8
58.01773	0.7
62.14278	0.6
70.06590	4.3
72.27750	0.7
73.59006	0.9
78.73912	0.8
87.43801	0.7
96.18140	0.8
97.02859	0.8
117.70417	0.8
124.47404	0.8
162.12181	0.7
188.07120	1.4
190.08667	1.4
206.08020	0.8
216.60896	0.8
226.14674	0.8
230.54524	0.8
239.75272	0.9
269.13971	0.8
290.08328	1.1
292.09937	1.7
304.07120	3.0
306.07870	1.1
308.09235	4.4
308.25400	0.8
309.09717	1.0
320.09174	34.2
321.09933	5.1
322.10663	9.2
323.11472	1.8
334.10678	5.0
335.11530	3.3
336.12476	7.1
338.10248	1.3
352.11621	7.2
366.13300	1.9
367.16519	3.4
380.14963	1.4
381.14307	5.8
393.18115	4.1
395.15845	1.3
396.16806	1.6
411.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1914
Annotation	Pseudobrucine
Peak:m/z	Relative Intensity
54.15549	0.4
55.63140	0.4
56.64826	0.4
70.06577	0.5
75.39198	0.5
78.76204	0.5
99.04469	0.9
121.42608	0.6
125.06097	0.5
129.87627	0.5
140.61922	0.5
188.07048	1.3
190.08649	3.3
193.69469	0.6
206.40070	0.6
218.07944	0.6
246.06897	0.7
255.28568	0.6
285.50818	0.6
290.08353	0.9
292.09827	2.6
294.07471	4.0
304.07162	4.8
306.07831	2.5
306.11169	1.3
307.08426	1.0
308.09094	6.3
309.10220	1.1
314.52081	0.6
319.09308	0.6
320.09149	34.1
321.09982	8.0
322.10678	13.9
322.14151	0.8
323.11615	3.1
334.10846	5.6
335.11630	3.4
336.12231	7.3
338.10233	1.3
350.09982	0.8
350.13983	3.7
351.13034	0.7
352.11386	7.3
366.13431	3.0
367.16599	12.5
380.14926	2.2
381.14319	4.5
393.13840	0.9
393.18155	5.1
395.16141	2.7
395.81100	0.6
396.17041	1.1
411.19208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1913
Annotation	Pseudobrucine
Peak:m/z	Relative Intensity
53.07884	0.5
59.58693	0.5
63.92405	0.5
70.06609	1.9
84.08162	0.6
95.28066	0.5
96.81610	0.5
127.08109	0.5
128.61717	0.6
131.21492	0.5
133.67198	0.5
141.84961	0.6
150.09196	0.9
152.17929	0.5
162.95538	0.5
188.07088	1.0
190.08543	1.8
206.08273	0.8
226.71790	0.7
235.14534	0.9
292.09753	3.8
294.07596	0.9
301.62857	0.6
304.07346	4.0
306.07755	1.0
307.08423	0.7
308.09167	4.4
309.10059	0.9
318.07803	0.8
320.09171	30.1
321.09897	5.1
322.10638	9.3
323.11588	3.1
334.10721	5.7
335.11517	2.3
336.12259	7.4
338.10144	1.0
350.09985	0.8
350.13928	1.0
351.13535	0.7
352.11542	6.3
353.12384	0.9
363.13202	0.9
365.12500	0.8
366.13312	3.7
367.16611	5.3
380.14902	1.3
381.14359	4.6
393.18127	3.5
395.16177	0.8
396.16876	1.0
411.10443	3.3
411.19162	100.0
412.81003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1912
Annotation	Pseudobrucine
Peak:m/z	Relative Intensity
56.92627	0.8
58.01773	0.7
62.14278	0.6
70.06590	4.3
72.27750	0.7
73.59006	0.9
78.73912	0.8
87.43801	0.7
96.18140	0.8
97.02859	0.8
117.70417	0.8
124.47404	0.8
162.12181	0.7
188.07120	1.4
190.08667	1.4
206.08020	0.8
216.60896	0.8
226.14674	0.8
230.54524	0.8
239.75272	0.9
269.13971	0.8
290.08328	1.1
292.09937	1.7
304.07120	3.0
306.07870	1.1
308.09235	4.4
308.25400	0.8
309.09717	1.0
320.09174	34.2
321.09933	5.1
322.10663	9.2
323.11472	1.8
334.10678	5.0
335.11530	3.3
336.12476	7.1
338.10248	1.3
352.11621	7.2
366.13300	1.9
367.16519	3.4
380.14963	1.4
381.14307	5.8
393.18115	4.1
395.15845	1.3
396.16806	1.6
411.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2503
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.60342	1.8
55.05524	5.5
57.03432	11.0
57.07082	50.3
59.33374	2.0
67.05512	16.9
69.07068	14.7
70.06588	3.7
71.08633	43.8
79.05524	2.1
81.07067	25.1
83.08601	15.7
85.10185	27.1
85.96198	2.0
93.07047	4.7
95.08611	33.0
97.10169	9.5
98.98463	60.6
105.93867	2.2
107.08572	3.9
109.10149	15.2
123.11722	9.1
135.08209	2.3
155.01036	100.0
158.09235	3.4
173.02159	4.6
173.90179	2.4
175.11873	3.4
180.63174	2.6
197.36311	2.1
239.23672	18.0
277.21600	3.7
313.27383	58.0
331.07794	2.7
393.23938	50.6
411.33136	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68257	2.5
57.03438	13.1
57.07085	49.3
58.84722	2.3
67.05505	15.0
67.17847	2.8
69.07064	6.6
69.76638	2.9
71.08633	46.6
71.21748	2.7
81.07059	26.6
83.08627	15.5
85.10201	29.3
91.05451	2.8
93.07030	3.6
94.73807	2.7
95.08613	26.3
97.10178	6.5
98.98466	60.4
109.10154	13.3
121.10156	2.5
123.11725	3.3
155.01044	100.0
182.02560	3.1
239.23709	13.8
313.27350	57.9
393.23965	43.6
407.73059	4.3
411.31323	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.9
55.05522	4.1
57.03437	12.4
57.06829	2.5
57.07085	53.0
67.05504	12.2
69.07070	11.8
70.06599	9.6
71.08635	47.5
79.05472	2.6
79.99686	1.8
81.07065	20.2
83.08623	14.9
85.10175	23.7
89.06002	2.7
89.36693	1.9
92.20968	3.2
92.21452	3.3
93.07032	2.6
93.20332	2.1
95.08617	33.6
97.10162	10.8
98.98470	62.5
107.08564	2.8
109.10170	14.6
111.11686	2.0
114.12625	2.4
116.07127	3.5
123.11709	4.4
155.01042	100.0
158.09242	10.6
174.62523	2.1
175.12003	2.6
191.75380	2.2
196.16986	2.5
239.23547	16.0
304.63089	2.1
313.27353	49.7
393.24066	37.9
411.33273	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24570	2.0
55.05528	2.8
57.03433	10.3
57.07084	53.3
60.05647	2.5
60.32083	1.8
67.05508	19.2
68.93216	1.9
69.07059	13.4
70.06602	22.8
71.08630	43.7
76.46828	2.2
81.07059	21.6
82.26582	2.2
83.08624	20.4
85.10184	21.6
92.63882	2.4
95.08608	37.4
97.10180	5.1
98.98473	52.8
103.36585	2.3
109.10156	16.1
112.08684	5.5
115.08688	3.7
116.07088	11.5
119.68086	2.0
123.11691	2.4
137.13321	2.6
150.48953	2.3
151.74376	2.2
155.01042	100.0
158.09233	20.8
175.11874	10.3
239.23724	25.3
260.50189	2.8
276.33832	2.8
313.27386	64.5
352.28586	2.5
393.23950	46.5
411.27829	4.5
411.33359	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2891
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
50.60756	1.7
52.20017	1.8
53.04867	1.8
54.31367	2.1
55.05509	11.8
57.07080	3.5
59.77241	2.0
69.07072	100.0
81.07069	21.8
83.08612	4.1
83.28210	1.9
89.57088	2.3
93.07090	2.8
95.08614	15.8
97.10171	11.1
109.10145	9.1
111.11699	10.3
123.04382	11.0
123.08712	2.2
123.11721	5.0
129.73610	2.0
135.08049	2.6
137.13232	2.7
141.89087	2.3
149.05960	28.7
161.05965	31.0
163.07527	15.1
165.05507	9.1
175.03943	4.5
175.07552	18.6
177.05472	28.5
177.09102	12.7
179.99887	2.3
189.05473	36.2
189.09073	3.6
191.06987	28.0
191.10713	3.0
203.06987	36.4
203.10678	5.2
205.08609	20.2
217.08528	17.7
219.10216	15.7
231.10159	40.3
245.11760	10.6
262.87006	2.2
280.44980	2.4
287.16379	10.3
301.17944	3.4
329.20996	2.0
343.22733	3.7
353.34976	2.6
411.28735	19.0
411.36172	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11750	1.4
54.02386	1.2
55.05517	8.1
56.17864	1.4
60.43795	1.3
64.02801	1.2
67.05508	23.6
69.07061	12.7
69.53029	1.3
71.04968	1.5
78.95029	1.7
79.05492	15.2
81.07061	39.7
83.08620	13.3
85.06534	2.7
91.05476	17.0
92.20968	2.0
92.68871	1.6
93.07047	25.4
94.63802	1.7
95.08596	39.1
97.06536	3.9
97.10181	8.3
98.09718	2.3
105.07025	13.4
107.08602	23.3
108.00896	1.5
109.10158	23.3
111.08089	3.7
117.07011	9.1
119.08566	20.6
121.06541	2.5
121.10123	28.2
123.08015	2.1
123.11703	7.3
125.09624	1.9
131.08563	18.4
133.10124	28.5
135.08046	2.8
135.11688	25.5
137.09650	1.9
137.13330	1.7
140.10684	1.9
145.10095	18.6
147.11664	20.6
149.09651	3.1
149.13245	11.9
150.12718	1.8
152.14334	1.9
152.57326	1.7
159.11679	13.3
161.13243	17.5
163.11169	3.0
163.14786	1.9
169.10126	2.1
171.11664	3.5
173.13258	7.4
175.14822	13.5
177.12685	2.6
185.13348	2.2
187.14796	3.9
189.16463	3.9
196.16983	7.3
199.14841	2.0
201.16278	3.8
204.17451	1.6
205.15875	2.2
212.20268	1.6
219.17390	2.0
233.19073	2.5
235.16954	2.5
247.20520	2.4
256.35034	1.9
277.21552	2.2
295.24210	2.3
303.26807	6.6
312.27020	3.2
313.25244	21.2
320.09012	1.8
330.27890	18.6
331.26306	73.2
336.12213	2.3
342.13141	2.2
347.30569	16.9
348.28946	30.5
358.27301	7.7
359.25742	2.6
365.31625	97.3
375.30081	21.0
376.28436	7.3
393.31091	100.0
394.29596	8.7
410.55688	1.9
411.32339	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
61.44867	2.3
67.05506	27.2
69.07068	5.1
75.40272	2.0
77.54729	2.3
79.05467	20.6
81.07057	50.9
83.08611	13.0
91.05480	26.5
93.07047	26.8
95.04990	4.0
95.08614	43.6
97.06540	3.6
97.10178	13.6
98.51563	2.1
105.07056	19.5
107.08600	28.7
109.06499	2.3
109.10146	30.8
111.08086	3.9
112.18594	2.3
117.07008	11.3
119.08583	21.0
121.06516	5.8
121.10134	49.4
123.11700	11.1
125.09586	2.9
131.08586	19.6
133.10147	29.9
135.11691	25.2
137.09651	2.7
140.44833	2.1
141.67036	2.4
145.10162	23.1
147.11691	24.5
149.09642	3.6
149.13246	12.3
154.12338	2.7
157.10150	3.9
159.11696	13.3
161.13261	19.9
163.11206	3.6
171.11650	3.7
173.13203	4.9
175.14819	12.8
176.53485	2.4
177.16501	2.5
185.13295	2.6
187.14796	4.3
189.16281	3.2
191.14384	2.8
196.17015	13.2
235.16838	2.9
247.20699	3.1
277.21536	5.2
285.25684	2.4
303.26929	9.4
312.26697	3.9
313.25180	22.6
318.07126	16.0
330.27844	24.7
331.26306	67.2
335.07428	4.4
336.08411	3.6
347.30569	18.0
348.29074	28.6
351.10425	25.4
358.27316	8.8
359.25732	2.8
365.31598	100.0
375.29996	24.4
376.28442	5.8
393.31094	99.5
394.29575	5.6
411.13617	4.6
411.27371	3.4
411.32260	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97728	0.8
55.05513	1.1
57.07080	0.9
59.05005	1.1
60.04530	12.8
67.05507	1.8
67.07851	0.9
69.07067	4.5
75.63531	0.9
78.65097	1.1
81.07067	3.9
83.08635	2.1
87.05598	9.2
88.03998	8.8
89.82825	1.0
95.08613	5.9
102.05548	100.0
107.08602	2.2
109.10137	2.3
112.08684	1.0
113.02367	1.4
119.08565	1.1
121.10098	2.5
130.05003	4.0
135.11703	1.7
137.13199	0.9
147.07639	12.1
147.11719	1.0
163.14758	1.6
173.87711	0.9
179.91603	1.0
182.15442	2.4
216.53345	1.1
221.41260	1.2
366.30057	6.6
385.63220	1.1
394.29547	18.8
411.31979	7.8
411.36795	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.8
56.05034	1.4
63.01887	1.1
67.05520	2.0
68.66470	1.1
69.07079	4.9
79.05500	1.9
81.07073	6.3
84.08150	2.0
91.05457	1.7
93.07072	5.5
95.08606	5.3
107.08569	1.7
116.68490	1.5
121.10129	2.3
135.11668	2.5
147.11671	1.8
149.13295	1.8
156.86783	1.2
164.14378	1.7
166.15956	3.0
181.17007	6.2
182.15404	100.0
196.16940	7.9
199.18100	27.1
210.18649	5.0
212.16530	1.5
213.19637	2.0
216.18402	1.4
227.21164	1.9
255.46382	1.2
320.09229	3.0
321.10049	2.0
336.12354	12.3
337.12683	1.9
375.29953	3.1
392.00711	1.6
393.31052	7.2
394.29547	5.7
411.10226	1.4
411.22653	5.4
411.32266	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.8
56.05034	1.4
63.01887	1.1
67.05520	2.0
68.66470	1.1
69.07079	4.9
79.05500	1.9
81.07073	6.3
84.08150	2.0
91.05457	1.7
93.07072	5.5
95.08606	5.3
107.08569	1.7
116.68490	1.5
121.10129	2.3
135.11668	2.5
147.11671	1.8
149.13295	1.8
156.86783	1.2
164.14378	1.7
166.15956	3.0
181.17007	6.2
182.15404	100.0
196.16940	7.9
199.18100	27.1
210.18649	5.0
212.16530	1.5
213.19637	2.0
216.18402	1.4
227.21164	1.9
255.46382	1.2
320.09229	3.0
321.10049	2.0
336.12354	12.3
337.12683	1.9
375.29953	3.1
392.00711	1.6
393.31052	7.2
394.29547	5.7
411.10226	1.4
411.22653	5.4
411.32266	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3256
Annotation	cyathisterone
Peak:m/z	Relative Intensity
55.38694	1.3
57.07092	2.4
65.46970	1.4
67.05504	1.7
68.87463	1.2
69.07074	37.8
70.07402	1.7
71.05193	1.4
71.08656	1.7
81.07069	9.1
83.08633	6.7
85.69278	1.4
89.84042	1.4
92.20941	1.8
92.23073	1.3
93.02911	1.6
93.07037	2.1
95.08620	2.4
103.90228	1.4
105.20821	1.7
107.08641	3.2
109.10184	7.1
109.37123	1.9
110.42989	1.6
117.07047	2.0
121.10159	3.0
123.11719	1.6
124.83323	1.5
126.25819	1.6
135.11705	1.7
145.10197	3.5
147.08080	3.6
149.13199	1.7
153.00458	1.7
157.11548	1.4
161.09734	2.3
164.00960	1.5
166.27728	1.5
173.09613	89.9
175.11206	14.4
187.11220	2.9
189.09113	2.6
191.10664	74.2
201.12750	1.8
213.12894	6.2
215.14444	3.7
231.13914	2.6
257.01340	1.6
267.17462	2.8
310.45251	1.5
393.31558	15.3
411.32495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.07072	4.5
67.05510	1.9
69.07070	6.8
71.08639	6.2
73.79819	0.8
74.60780	0.8
75.93152	1.0
77.05537	0.9
79.05468	1.0
81.07073	8.8
83.08614	4.8
85.10178	4.2
87.82779	0.8
93.07043	1.0
95.08588	10.2
97.10168	5.9
105.07027	1.2
107.08627	1.5
109.10154	8.5
111.11749	3.9
120.10593	0.9
121.06503	100.0
123.11673	2.0
133.06493	1.1
135.08061	5.3
135.11696	1.5
137.13271	1.3
147.08073	9.7
159.08046	0.9
161.09628	4.5
165.16402	1.6
173.09581	1.1
182.15341	1.3
192.57866	1.1
196.16916	1.2
208.56880	1.0
241.47504	1.1
411.36380	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87627	0.4
55.05530	0.7
56.89761	0.5
57.07073	4.8
67.05508	1.4
69.07078	3.8
71.08634	3.8
79.12888	0.6
80.36815	0.7
81.07049	4.6
83.08625	2.9
85.06524	0.6
85.10192	2.6
93.07050	2.6
95.08592	3.9
97.06580	0.9
97.10171	1.2
107.08600	2.9
109.10156	1.2
121.06510	7.6
121.10118	0.9
123.11686	1.1
133.10127	0.9
135.11717	1.2
147.08011	0.7
149.13235	6.0
159.11761	0.6
160.65762	0.5
161.09695	0.9
166.15924	6.1
167.14301	2.4
173.09576	0.8
177.12820	0.7
184.57477	0.6
198.22151	14.4
200.23727	100.0
212.16515	4.2
216.68562	0.7
268.26389	0.8
269.14618	0.7
273.20056	0.6
282.27866	1.1
296.29633	0.9
366.37299	18.5
393.31293	0.8
394.36768	23.9
411.39536	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52362	0.5
67.15771	0.6
72.08127	0.8
72.51762	0.5
79.05511	0.8
95.24252	0.5
100.26857	0.7
106.87569	0.5
123.08056	0.6
163.03903	5.0
175.03882	1.1
192.06508	1.3
193.04965	100.0
215.65921	0.7
221.04460	19.9
262.76044	0.7
352.21573	0.9
358.65393	0.6
384.56866	0.7
408.50705	0.6
412.10300	45.8
412.23923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40097	1.0
51.65745	1.1
60.75187	1.1
61.99656	1.5
76.77168	1.2
77.87826	1.3
87.04523	1.6
95.94443	1.4
119.93072	1.3
134.17407	1.5
144.04457	1.9
149.02444	1.5
149.06003	2.1
153.62027	1.5
159.04410	2.5
165.05487	11.4
174.05496	12.8
176.07071	2.0
189.20226	1.6
190.04933	2.6
278.08215	2.4
292.06940	1.4
292.09888	1.9
293.10507	1.6
294.07794	2.7
307.08441	5.8
308.05713	9.6
308.09229	11.6
310.10995	5.6
320.09216	1.8
321.06403	2.4
322.07166	15.8
322.10550	2.3
323.07919	7.0
323.11652	7.8
324.12369	6.9
326.10123	3.4
327.11102	7.8
336.05078	11.7
336.08652	3.5
338.10254	15.4
341.12769	8.3
342.13370	48.6
342.17242	2.6
350.06616	6.2
350.10471	3.0
351.07364	22.9
366.09668	100.0
384.10693	87.9
389.21161	1.6
394.13196	2.1
412.13980	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03129	0.5
52.69790	0.5
67.19230	0.6
70.06578	0.7
85.02897	0.7
93.50364	0.6
99.04475	1.1
110.06090	0.6
110.07162	1.0
224.07069	1.2
253.07326	0.8
254.08156	3.9
279.07651	0.9
279.11429	0.7
281.09229	2.7
282.07623	15.9
286.06949	0.8
295.10760	1.4
297.08704	20.1
298.07196	2.6
305.09326	1.0
307.08270	3.8
307.10876	3.6
309.08655	22.8
321.08780	1.4
323.10306	8.0
324.08673	0.8
333.08554	1.2
338.10239	3.4
349.08151	15.8
350.11414	1.0
351.09781	13.6
353.07693	5.4
366.09903	3.1
367.09235	0.9
368.12354	15.9
395.08759	21.7
412.11066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00081	0.5
69.16615	0.5
86.39894	0.5
102.52771	0.6
175.07610	0.7
193.08594	7.6
221.08165	3.2
323.31873	0.7
329.83307	0.7
334.20517	4.0
352.21649	8.9
370.22342	0.9
384.12149	1.0
397.09235	1.0
412.11771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25384	0.2
69.03400	0.3
70.06569	0.3
89.03908	0.6
99.04436	1.3
117.03369	4.7
121.06489	1.9
125.10349	0.3
128.38004	0.4
145.02846	37.9
147.04443	0.4
149.05969	1.9
152.07048	1.6
164.07028	0.6
177.05460	100.0
182.08235	0.4
200.09215	1.3
203.75491	0.3
211.46439	0.3
215.12784	0.4
314.16058	0.7
336.08319	0.4
382.18491	0.4
412.13937	3.9
412.19009	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16365	0.6
143.67139	0.7
290.04364	0.8
290.07816	0.8
291.08691	1.1
292.06290	0.8
294.07681	1.0
306.07611	5.6
321.09763	2.7
323.07901	1.3
333.06250	4.3
334.07117	6.2
336.05124	1.1
341.04318	26.5
341.54630	4.8
348.08679	1.6
348.55518	15.6
349.05789	1.6
349.09460	15.5
350.04950	100.0
350.55145	9.4
356.06784	1.7
357.56119	33.8
358.06219	4.1
359.05472	6.0
361.55618	4.0
363.57849	7.7
365.07266	1.4
371.09143	4.7
372.58499	10.4
373.08725	1.1
380.10748	30.8
380.59830	4.0
382.04965	1.0
384.09973	1.1
389.10165	4.2
391.60321	1.4
397.07285	1.0
412.11444	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42439	0.5
73.11929	0.5
93.96212	0.7
117.03362	0.7
119.27231	0.6
133.06425	0.5
135.04396	0.8
147.04433	14.2
160.07635	0.9
164.88675	0.6
167.13094	0.5
174.03116	0.7
174.05524	1.3
174.31160	0.7
175.03908	100.0
176.04626	0.7
189.05473	2.3
190.05083	2.5
191.05554	0.7
191.07104	2.7
192.06577	0.6
205.07407	1.0
206.05858	1.0
206.08148	2.6
221.08089	7.5
287.59106	0.6
304.09827	2.8
318.07611	1.3
319.08353	0.8
331.08447	0.9
336.08795	1.0
337.09344	1.0
338.10141	5.7
346.07083	0.9
347.07944	3.4
349.09607	0.6
352.11853	9.0
362.10248	17.9
380.11295	10.3
412.13928	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32148	0.7
75.85786	0.7
79.05518	1.3
86.06063	1.0
93.07061	1.0
94.62916	0.8
117.78285	0.7
121.06484	1.8
135.04367	0.8
135.20461	0.7
138.13672	0.9
147.04417	15.0
148.05203	0.9
174.05562	1.0
175.03902	100.0
177.05475	3.1
189.04160	1.6
190.05006	1.4
191.07036	3.0
205.07346	1.0
206.05873	1.2
206.08044	1.4
221.08165	5.9
304.09885	1.0
329.07468	0.9
331.08286	1.1
332.09283	1.4
336.08670	3.2
337.09488	1.7
338.10156	5.5
347.08142	2.9
352.11780	11.6
362.10150	19.2
380.11264	13.3
409.83484	0.8
412.13885	77.7
412.26926	1.4
412.32144	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67227	0.7
54.24263	0.9
58.74110	0.7
61.41599	0.8
67.79301	0.9
69.24461	0.8
74.09904	0.8
79.05460	0.9
81.07028	1.3
99.04473	1.0
121.06513	4.5
168.18021	0.9
176.07030	4.8
193.04971	12.7
201.28023	0.9
221.04443	1.2
241.07274	1.5
278.07816	1.0
280.15585	1.1
292.09677	10.1
293.10553	1.3
294.11218	1.6
306.11005	1.1
308.09213	15.9
309.09607	1.5
310.10715	8.7
312.08780	1.4
320.09143	3.8
321.09918	5.7
322.10669	5.3
323.11533	11.6
324.12158	8.6
326.10123	7.4
327.10904	12.0
334.10870	1.1
336.08582	1.5
336.12204	13.7
341.12561	16.1
342.13336	73.1
350.10086	6.2
351.10968	2.0
366.10129	2.1
366.13361	11.4
384.10883	2.1
384.14532	23.7
394.12836	4.7
412.13882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32148	0.7
75.85786	0.7
79.05518	1.3
86.06063	1.0
93.07061	1.0
94.62916	0.8
117.78285	0.7
121.06484	1.8
135.04367	0.8
135.20461	0.7
138.13672	0.9
147.04417	15.0
148.05203	0.9
174.05562	1.0
175.03902	100.0
177.05475	3.1
189.04160	1.6
190.05006	1.4
191.07036	3.0
205.07346	1.0
206.05873	1.2
206.08044	1.4
221.08165	5.9
304.09885	1.0
329.07468	0.9
331.08286	1.1
332.09283	1.4
336.08670	3.2
337.09488	1.7
338.10156	5.5
347.08142	2.9
352.11780	11.6
362.10150	19.2
380.11264	13.3
409.83484	0.8
412.13885	77.7
412.26926	1.4
412.32144	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21578	0.7
51.04163	0.7
51.94754	0.8
53.95487	0.7
56.61914	0.9
56.73841	0.7
89.52979	1.0
91.05491	1.4
93.06994	1.3
121.06495	5.4
136.05246	1.3
149.05977	6.9
150.06770	1.9
162.06731	3.9
175.03929	8.6
192.06546	52.9
193.08594	51.8
206.05797	4.3
221.08076	100.0
223.06017	1.2
267.64349	1.1
284.91504	1.1
285.90741	1.1
312.19196	1.0
336.47858	1.0
338.10031	5.7
394.12750	6.5
408.24240	1.0
412.13904	1.8
412.23718	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69387	1.7
57.09016	2.0
62.52353	2.1
65.80874	1.7
89.36331	2.2
92.21643	1.9
105.66016	1.8
169.39531	1.8
174.05539	10.6
186.66620	2.4
188.07071	11.0
206.04544	2.6
206.08134	36.9
234.07686	2.7
292.09686	2.8
294.07550	4.0
304.06268	2.4
306.07614	7.5
308.09152	4.0
318.07513	2.1
319.08237	4.3
321.09827	2.8
322.07166	4.5
334.10852	12.2
334.20541	2.8
336.08673	19.5
336.12177	2.8
350.06549	10.0
352.21436	9.2
356.11267	9.6
362.10388	3.8
364.08075	8.5
365.08911	13.7
380.11337	100.0
412.12906	64.2
412.23096	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.139
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80449	1.0
85.18053	1.0
118.12281	1.2
129.67123	1.5
143.46977	1.4
147.04424	13.5
148.05219	1.4
168.65581	1.1
175.03909	100.0
177.05518	1.4
192.06430	1.3
206.05881	1.5
206.07970	1.9
221.08148	7.4
238.62796	1.2
249.73421	1.2
331.08521	2.0
336.08649	2.0
336.12390	1.6
338.10257	6.8
347.07901	1.9
352.11813	9.9
362.10168	17.4
371.17026	1.6
380.11237	10.7
412.13971	84.7
412.32358	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19946	0.6
57.39498	0.6
58.92990	0.6
59.84303	0.6
64.02427	0.6
97.02844	0.7
173.20526	0.7
206.11815	4.0
281.09164	6.1
282.10114	3.2
293.09052	0.7
294.10208	0.8
295.10876	5.7
296.11566	2.5
297.12317	44.2
297.15646	1.5
302.60059	0.8
308.08972	1.4
309.12329	11.1
323.13919	28.8
324.13394	1.6
350.15182	1.2
351.13370	17.0
352.12906	18.1
353.13736	4.7
366.14764	1.3
367.12875	6.1
368.16031	53.0
370.13840	1.0
394.14526	1.5
395.12463	12.1
412.15018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24805	0.9
53.03943	1.0
67.28143	0.9
71.04967	1.4
73.02899	1.8
81.03408	4.9
84.44124	1.0
85.02888	4.6
91.54898	1.1
92.42525	1.0
97.02878	1.1
99.04467	26.6
106.06545	2.8
107.04984	1.3
108.08103	3.8
117.05521	1.8
118.06479	1.2
121.06460	5.2
123.04395	7.0
127.03870	1.9
134.05992	2.1
135.04395	5.9
136.07564	4.4
137.05968	7.1
143.01357	1.1
146.05997	5.3
149.05949	1.8
151.06250	5.7
152.07062	22.7
153.05432	2.0
162.05441	6.0
164.05736	2.0
164.07034	27.4
166.08627	1.6
176.07037	7.1
178.08615	1.5
185.23836	1.1
190.08612	1.9
191.06943	4.4
194.08035	1.4
200.07030	1.9
206.08141	2.3
218.08102	1.8
242.07950	2.5
242.10226	1.8
260.09097	1.6
278.10150	2.7
296.11273	32.5
376.13931	1.4
394.14862	27.4
412.15848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22282	0.5
51.02401	0.6
58.06596	2.4
60.41294	0.5
63.01273	0.5
67.44937	0.6
70.36862	0.5
86.01646	0.5
92.21462	0.8
106.55950	0.6
130.74185	0.7
133.96977	0.6
151.16647	0.6
163.05391	1.1
176.06412	0.5
178.06395	1.1
191.07315	2.4
192.08003	0.8
202.06598	0.8
203.07170	0.6
220.07552	1.3
221.08282	1.0
249.07791	0.6
250.08652	3.3
266.08313	1.0
278.08145	2.3
279.09009	1.3
280.09668	0.7
292.09610	0.7
293.10492	2.4
294.11279	7.5
306.11313	2.9
307.08429	2.3
307.11758	1.0
308.09213	6.8
308.12891	2.8
318.17746	0.6
321.09735	2.2
322.10748	16.0
323.11542	18.5
336.12311	17.2
337.13159	5.6
338.13852	18.6
338.17944	0.8
351.14545	0.8
368.14957	11.8
380.15060	4.9
382.12891	11.7
396.14389	18.7
397.15170	16.8
412.17581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1753
Annotation	Dapholdhamine C
Peak:m/z	Relative Intensity
52.67152	0.6
53.51001	0.6
68.05478	0.7
74.34476	0.7
78.22855	0.7
103.51908	0.8
121.62633	0.8
137.06007	3.4
163.05351	0.8
174.61931	0.7
177.05518	1.0
178.06444	1.2
191.07349	3.5
220.07547	1.6
221.08360	1.7
249.07675	0.9
250.08508	1.1
278.08298	0.8
280.09628	1.3
283.36972	0.8
293.10562	1.3
294.11200	10.9
306.11096	1.5
307.08380	1.5
307.11819	1.1
308.09103	6.1
308.12582	1.6
320.09131	0.9
321.09973	1.2
322.10724	18.2
323.11520	23.6
336.12277	22.2
337.13141	5.7
338.13785	22.1
368.14899	13.8
380.14914	1.7
382.12735	8.7
396.14474	17.7
397.15213	16.2
397.87326	0.8
412.17609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1747
Annotation	Dapholdhamine C
Peak:m/z	Relative Intensity
55.91420	0.5
56.89636	0.5
63.02396	0.7
75.02348	0.7
83.17586	0.7
104.07686	0.9
118.56985	0.7
138.05946	0.6
142.40424	0.7
149.92175	1.0
150.04721	0.8
163.05551	0.9
176.06261	1.0
190.06560	0.9
191.07307	3.6
192.08194	1.5
204.08063	1.2
220.07465	1.3
222.09035	1.0
248.07256	1.0
249.07863	1.0
250.08490	1.1
251.09183	1.2
279.08923	1.2
293.10260	1.1
294.11200	10.0
306.11334	1.7
307.08459	1.4
307.11771	1.0
308.09216	7.7
308.12881	3.4
321.10132	2.9
322.10669	15.4
323.11487	17.9
336.12274	19.9
337.13202	4.6
338.13907	23.2
368.14960	13.1
380.15015	4.8
382.12808	10.4
396.14508	19.2
397.15137	13.9
412.17609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52166	0.5
89.03893	0.6
91.55071	0.5
163.05453	0.7
175.59489	0.6
190.06528	0.8
191.07230	1.3
192.08174	1.2
193.90170	0.7
204.08095	1.2
219.38045	0.7
220.07573	2.4
221.08051	1.0
222.08809	0.8
236.07033	0.7
249.07768	0.9
250.08437	1.7
251.05719	1.1
266.08081	1.0
278.07922	0.9
279.08755	2.6
280.09702	1.1
289.94479	0.7
292.09485	1.2
293.10345	0.8
294.11221	12.4
306.11395	2.4
307.08344	2.8
307.11804	0.7
308.09210	8.2
308.12531	1.2
321.09933	1.5
322.10742	19.7
323.11496	19.5
336.08246	0.8
336.12244	20.9
337.13141	3.6
338.13904	22.6
368.14948	11.2
380.15002	3.7
382.12906	8.1
396.14453	15.9
397.15170	12.7
412.17542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	1.2
60.93610	0.6
63.02388	0.7
74.01550	0.7
94.98326	0.6
108.16875	0.6
191.07318	1.5
192.07916	0.8
220.07541	1.1
221.96181	0.7
250.08612	1.0
251.05830	1.2
266.08167	1.2
279.08710	1.0
292.09717	1.4
294.11185	9.4
306.11215	1.2
307.11890	1.1
308.09232	4.5
308.12811	2.5
321.09988	2.7
322.10736	16.0
323.11493	18.0
336.12271	19.8
337.12936	5.2
338.13843	20.6
354.12946	1.0
366.13199	0.8
368.14853	12.7
380.14874	4.1
382.12863	8.8
396.14432	18.0
397.15158	16.5
412.17578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82069	0.6
52.72919	0.5
65.53296	0.6
66.48021	0.6
69.07066	4.7
73.20298	0.6
75.59796	0.6
82.99220	0.6
83.56679	0.8
85.02888	0.7
86.09708	100.0
97.29128	0.6
104.08267	0.6
132.10207	70.7
137.18774	0.7
190.24510	0.8
234.48790	0.6
242.39931	0.7
292.74188	0.8
394.16861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82069	0.6
52.72919	0.5
65.53296	0.6
66.48021	0.6
69.07066	4.7
73.20298	0.6
75.59796	0.6
82.99220	0.6
83.56679	0.8
85.02888	0.7
86.09708	100.0
97.29128	0.6
104.08267	0.6
132.10207	70.7
137.18774	0.7
190.24510	0.8
234.48790	0.6
242.39931	0.7
292.74188	0.8
394.16861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54577	0.6
55.05524	0.9
57.03439	1.6
67.05511	3.9
69.07085	1.4
71.54595	0.6
71.76876	0.8
73.00125	0.7
79.05486	3.5
81.07055	5.8
83.08613	1.4
85.06500	0.7
91.05480	4.0
93.07037	7.7
94.20853	0.7
95.08604	4.3
105.07046	4.6
107.08617	3.8
109.10152	3.2
117.07032	3.0
117.54694	0.7
119.08564	6.3
121.06508	100.0
121.10164	1.8
131.08571	3.9
133.10121	3.6
135.11717	1.4
136.07602	0.9
138.09140	18.6
143.08630	0.8
145.10146	1.7
147.11705	1.2
153.12941	0.8
157.10141	1.0
159.11713	1.7
173.13261	1.8
185.13222	1.3
187.42548	0.8
190.42313	0.7
203.14139	0.9
219.17426	6.4
232.17636	0.7
253.18303	0.7
275.20157	1.3
330.14279	1.0
336.15839	0.9
356.25879	10.9
379.67581	0.8
385.84015	1.0
394.27530	6.0
412.28470	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
57.07074	0.9
57.89188	0.8
67.05504	2.0
69.07085	1.2
71.02560	1.0
74.78417	0.9
79.05497	2.2
81.07047	6.9
83.29360	0.9
91.05472	1.2
93.07042	6.0
95.08589	5.0
106.47606	1.0
107.04955	8.4
107.08598	4.8
109.10162	1.1
112.07601	4.5
114.05539	1.2
121.10118	2.1
134.06041	2.1
135.04395	17.1
137.05994	1.1
152.07063	100.0
154.08681	1.4
158.08107	6.4
261.22226	1.8
297.08496	1.0
343.76199	1.0
388.31931	1.1
395.26135	1.1
412.28351	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3209
Annotation	(+)-Homobuxaquamarine
Peak:m/z	Relative Intensity
55.05512	1.1
56.00689	0.7
57.07072	1.2
57.41228	0.6
59.39045	0.7
67.05484	1.1
69.07064	3.6
71.08628	6.5
79.05479	1.2
81.07051	4.0
83.08614	1.5
86.19588	0.7
93.07052	1.9
95.05006	0.7
95.08624	4.9
96.47266	0.7
97.10193	0.8
99.08123	3.0
105.07029	100.0
107.08590	3.7
109.06532	1.2
109.10151	3.3
119.08562	1.2
120.08166	0.7
121.06490	13.9
121.10159	0.7
122.06845	5.1
122.09660	52.9
135.11763	1.1
149.13298	0.8
154.42159	0.7
165.12723	6.2
175.14859	1.1
207.83258	0.8
291.23218	5.1
314.24744	1.2
354.05722	1.0
387.58575	0.8
412.32065	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17645	1.7
60.20107	1.5
70.40851	1.9
74.02432	2.4
78.65297	1.9
85.02898	9.6
87.05589	9.9
90.33124	1.8
92.21478	2.2
97.02874	2.7
98.70516	1.8
119.01900	3.6
126.08997	1.8
131.15450	1.8
133.06082	22.2
143.01949	3.9
145.03479	9.4
145.04961	2.0
151.03915	13.6
155.01891	8.4
157.03438	8.5
160.29485	2.0
161.02962	10.6
169.03471	12.6
171.05077	4.7
173.03000	14.3
175.04265	2.0
185.02998	4.5
187.04561	9.5
197.02950	12.6
203.04010	3.1
215.04048	10.3
233.03029	3.3
234.05832	2.5
239.03944	5.0
243.05170	3.1
245.05031	30.4
249.06227	2.1
251.06018	4.1
253.05728	2.8
261.06021	23.3
263.03781	2.7
263.06232	2.3
269.04871	6.8
271.04330	2.2
277.05692	4.6
279.07077	13.7
287.04034	3.4
289.05469	10.9
293.05051	4.0
305.05026	12.3
307.06628	15.6
313.05609	3.7
315.11014	2.2
323.06134	4.2
324.06943	4.0
331.06827	3.5
349.07828	2.6
353.07111	20.6
367.08762	22.5
371.08255	7.8
377.07269	10.5
385.09790	25.2
395.08575	9.1
413.09238	100.0
431.10486	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1339
Annotation	4-methylamino-4-dedimethylamino-anhydrotetracycline
Peak:m/z	Relative Intensity
51.19395	0.4
63.63404	0.4
66.57510	0.3
67.45702	0.4
68.66040	0.5
84.68839	0.3
92.20976	0.5
98.06044	0.5
99.04468	0.5
119.04940	0.5
127.43520	0.4
145.02885	0.5
147.04422	4.9
148.04779	3.5
177.05438	0.8
208.06798	0.6
208.89987	0.5
212.09053	0.5
284.09155	8.4
286.07202	0.9
295.07187	0.8
309.12265	0.5
312.08478	0.6
327.09784	1.0
354.13522	0.5
367.12732	3.7
370.51514	0.5
377.14001	1.7
381.10999	0.9
385.13705	0.5
395.11746	0.8
413.13367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79664	0.2
52.78042	0.2
57.03698	0.2
69.03436	0.4
71.71494	0.2
73.50032	0.3
85.02890	0.3
97.85519	0.3
99.04463	1.2
118.38629	0.3
145.02831	0.5
177.05461	1.8
225.07858	0.6
251.09349	0.6
257.06815	0.5
269.06659	0.5
284.09152	9.6
284.12106	0.6
286.07214	1.5
295.07230	1.1
312.08548	0.6
327.09781	1.2
367.12781	2.9
381.10745	1.9
385.13995	1.4
395.12411	1.6
413.13412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1339
Annotation	Eupalinilide H
Peak:m/z	Relative Intensity
51.19395	0.4
63.63404	0.4
66.57510	0.3
67.45702	0.4
68.66040	0.5
84.68839	0.3
92.20976	0.5
98.06044	0.5
99.04468	0.5
119.04940	0.5
127.43520	0.4
145.02885	0.5
147.04422	4.9
148.04779	3.5
177.05438	0.8
208.06798	0.6
208.89987	0.5
212.09053	0.5
284.09155	8.4
286.07202	0.9
295.07187	0.8
309.12265	0.5
312.08478	0.6
327.09784	1.0
354.13522	0.5
367.12732	3.7
370.51514	0.5
377.14001	1.7
381.10999	0.9
385.13705	0.5
395.11746	0.8
413.13367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
75.05125	3.1
81.07041	4.0
93.07053	3.3
119.84853	3.5
121.02948	3.5
136.05215	7.0
148.74179	3.3
151.07530	48.9
155.04935	8.2
160.05167	17.4
167.07042	5.9
175.07558	20.0
183.04514	5.2
187.07579	6.9
215.07098	8.2
245.09627	4.1
261.09125	6.9
265.08716	3.4
272.08759	4.4
273.09036	21.2
275.10858	7.4
276.11554	4.4
288.07620	4.5
289.08661	18.3
291.10187	4.1
303.10217	15.2
304.10983	40.5
305.07938	8.2
309.11221	5.0
320.09357	18.6
322.11847	8.7
335.12769	100.0
353.13962	29.2
413.15918	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09290	1.3
79.05486	12.1
94.88552	1.5
95.93848	1.6
99.04447	2.7
103.05442	2.2
105.07092	4.6
107.04953	24.9
123.04424	3.0
124.05205	3.9
131.04912	10.1
133.06480	3.9
135.11581	1.7
152.04765	1.5
159.07999	2.5
161.05968	3.1
167.05571	3.4
167.07022	100.0
176.04674	2.7
184.05190	3.0
190.07796	1.8
191.07050	33.0
199.07547	29.4
203.08627	3.2
205.10118	2.2
215.08510	6.6
217.81738	1.6
218.07259	3.2
219.08113	2.3
219.10167	2.6
232.08824	2.0
233.09584	18.5
235.07434	1.8
243.08058	2.8
246.06728	6.8
249.08997	2.0
249.79930	1.7
250.09978	2.6
257.05972	2.1
259.07541	1.7
260.08350	7.3
261.09085	25.6
263.07043	3.2
274.06143	2.8
275.06799	2.0
275.10812	1.8
277.08484	3.8
278.09360	7.6
289.08530	31.9
290.09323	10.0
291.06424	3.6
291.09805	2.7
293.11710	8.5
306.08774	9.7
307.09515	7.5
321.11163	68.0
322.11896	3.9
323.08954	2.6
325.14551	2.5
334.10526	3.1
353.13812	41.1
385.12668	2.2
413.11981	20.5
413.27032	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22642	2.0
50.72425	2.4
52.55170	1.8
79.05498	12.1
84.92313	2.2
85.09553	2.1
93.07050	4.4
99.04461	23.5
105.07056	3.7
107.04945	18.2
109.10167	34.1
118.04179	2.4
124.05202	3.3
125.61677	2.4
131.04897	4.0
133.06496	3.5
135.11653	5.3
148.80411	2.3
153.12692	16.4
161.05980	2.6
167.07028	100.0
171.13765	9.3
176.04678	3.1
184.05031	2.9
191.07080	28.7
199.07550	30.9
215.08548	5.2
218.07402	5.1
232.08797	4.3
233.09654	25.0
243.08026	3.4
246.06743	4.2
260.08441	4.4
261.09128	28.8
263.06943	4.0
274.06128	3.5
277.08560	4.5
278.09354	9.9
288.07816	2.5
289.08655	33.8
290.09354	9.3
293.11700	9.3
306.08896	10.2
307.09509	5.2
315.14703	2.5
321.11209	65.6
323.09143	3.5
353.13806	38.1
379.36111	3.0
402.24448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33516	0.8
58.23883	0.7
58.53334	0.8
59.98026	0.9
63.61417	0.8
68.66510	0.9
69.95385	0.7
73.08604	0.8
75.55048	0.8
79.05489	7.0
81.07060	3.6
85.19105	0.9
95.08575	1.0
103.05465	2.0
105.07037	4.0
107.04948	23.3
109.10114	1.3
115.05388	1.1
118.04150	1.6
123.04453	2.2
124.05215	5.3
128.06244	1.0
129.06995	1.3
131.04929	12.6
133.06497	1.5
137.06004	1.3
147.04387	1.2
152.04677	2.1
159.04420	1.1
159.08017	1.2
161.05977	6.1
167.07031	100.0
171.08075	3.5
175.07512	0.9
176.04659	5.1
184.05167	3.3
190.07930	1.2
191.07025	29.1
191.08716	1.3
199.07523	33.7
203.08632	4.1
205.10176	1.2
207.76759	0.9
215.08554	5.3
218.07251	5.9
219.08067	2.0
219.91704	1.0
231.08157	1.5
232.08885	4.5
233.09583	20.8
235.07562	1.0
243.08000	3.6
245.09630	1.7
246.06735	4.9
247.07468	3.6
249.09000	2.2
250.09969	4.2
257.06009	1.5
259.07507	2.0
260.08313	6.1
261.09085	28.6
262.10010	3.3
263.06967	3.3
273.09006	1.3
274.06244	5.9
275.06909	1.8
275.10605	1.7
277.08652	4.1
278.09396	12.1
281.05777	1.0
289.08585	30.8
290.09531	8.7
291.06699	1.7
291.10153	4.6
293.11789	6.4
305.07950	1.5
306.08731	9.0
307.09518	6.6
321.11188	56.1
322.11966	5.2
323.09012	1.7
353.13852	36.3
383.67532	1.0
413.15002	4.7
424.23376	1.0
430.70120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.16942	0.8
57.03441	1.3
65.28336	0.7
69.03432	9.1
71.04979	0.7
81.03409	7.1
85.02900	5.4
87.04454	1.5
97.02892	4.7
99.04453	100.0
109.02839	2.8
117.05480	21.1
117.10587	0.7
127.03912	1.8
135.06549	1.2
145.05025	1.4
153.07591	9.1
167.28606	0.9
193.66537	0.7
233.83850	0.8
243.08447	1.0
256.73834	0.8
261.09647	6.5
261.12106	0.7
368.44592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1703
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
50.40502	0.3
51.60222	0.3
58.14918	0.3
64.72205	0.3
65.75233	0.3
70.06533	0.8
84.08088	0.4
97.43391	0.3
98.74100	0.4
99.04352	0.4
100.02873	0.3
118.92638	0.4
123.00674	0.4
145.02815	0.6
161.64864	0.4
170.75237	0.4
177.05417	0.7
179.84819	0.3
216.98473	0.4
292.09546	0.7
293.10339	0.7
296.09033	0.8
302.25549	0.4
308.09012	2.0
321.09885	2.8
323.11536	4.0
324.08661	0.7
338.13782	1.7
339.10977	44.3
353.07614	1.6
353.11786	0.7
354.13321	100.0
395.13370	0.5
413.17075	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
130.34357	0.4
142.25604	0.4
244.61652	0.4
293.10251	0.4
296.09061	0.8
306.07526	0.5
308.09039	1.8
321.09872	5.5
322.10617	0.6
323.11603	4.7
324.08688	0.7
338.13950	0.7
339.11017	50.3
353.07806	3.7
354.13348	100.0
369.14682	0.7
413.10126	1.8
413.17120	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1706
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
50.00057	0.4
53.35958	0.5
54.30356	0.4
56.96136	0.5
58.96326	0.4
62.09579	0.5
68.25856	0.6
69.88850	0.6
70.11796	0.5
76.56536	0.5
85.02915	0.7
96.90704	0.6
99.04469	1.4
104.91112	0.6
111.93800	0.6
121.06507	1.2
147.04517	0.8
150.99988	0.6
151.07768	0.6
177.05453	1.0
180.84000	0.6
183.15923	0.6
185.77242	0.6
197.20804	0.6
198.67822	0.6
258.59290	0.7
293.10480	0.7
295.59503	0.6
296.09344	0.8
308.09091	1.0
321.09940	3.6
322.10641	0.8
323.11469	3.1
324.08722	0.7
338.13849	1.0
339.06851	1.3
339.11005	43.1
354.13342	100.0
413.17093	68.7
413.22824	1.1
419.58920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00057	0.4
53.35958	0.5
54.30356	0.4
56.96136	0.5
58.96326	0.4
62.09579	0.5
68.25856	0.6
69.88850	0.6
70.11796	0.5
76.56536	0.5
85.02915	0.7
96.90704	0.6
99.04469	1.4
104.91112	0.6
111.93800	0.6
121.06507	1.2
147.04517	0.8
150.99988	0.6
151.07768	0.6
177.05453	1.0
180.84000	0.6
183.15923	0.6
185.77242	0.6
197.20804	0.6
198.67822	0.6
258.59290	0.7
293.10480	0.7
295.59503	0.6
296.09344	0.8
308.09091	1.0
321.09940	3.6
322.10641	0.8
323.11469	3.1
324.08722	0.7
338.13849	1.0
339.06851	1.3
339.11005	43.1
354.13342	100.0
413.17093	68.7
413.22824	1.1
419.58920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.9
60.30719	1.4
63.48059	1.5
70.33380	1.4
72.07175	1.4
72.79762	1.5
81.03429	21.1
83.04970	1.8
84.04504	11.4
85.02886	2.1
86.06060	1.9
88.29316	1.5
97.02895	23.1
99.04443	1.9
103.05514	1.5
105.07032	100.0
109.02935	1.5
111.04442	10.0
114.05510	7.2
118.84345	1.6
120.08102	2.1
121.06469	2.6
122.09659	23.2
127.03907	2.6
130.04974	7.5
134.06027	2.8
136.07588	3.7
142.04979	2.0
148.07616	2.1
162.05487	8.1
164.07051	9.9
180.06555	3.1
188.10686	2.7
190.12256	33.0
192.06534	3.7
194.08151	8.6
208.06029	40.8
212.09247	3.4
234.08871	2.7
234.11232	76.9
238.07051	12.7
251.13765	2.8
256.08151	2.6
258.89853	1.8
274.44815	1.7
329.14877	24.6
359.16150	7.5
377.17059	47.2
395.18155	23.8
413.13596	9.0
413.19150	21.2
431.80676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33475	1.3
52.07762	1.4
58.03022	1.6
69.03400	2.1
79.05497	1.9
81.03426	25.0
84.04506	9.8
85.02919	3.5
91.05463	1.8
95.04980	1.7
96.04492	2.2
97.02891	23.4
98.06050	2.2
99.04459	23.1
105.07035	100.0
109.02910	3.1
111.04447	9.2
114.05490	6.8
119.04906	2.8
122.09659	27.4
125.06002	2.1
127.03955	2.0
130.04973	11.9
134.06081	2.7
136.07596	3.5
136.50806	1.6
137.05956	2.6
142.04982	2.8
148.07610	3.7
152.07095	1.9
162.05507	6.5
164.07031	7.4
176.07088	2.8
176.12535	1.8
177.05405	2.9
180.06602	2.3
187.07492	2.1
188.10626	2.2
190.12282	43.4
192.06546	3.6
194.08063	13.5
205.13400	1.9
207.06592	2.2
208.06052	40.7
210.07652	2.0
212.09113	2.6
223.09061	1.8
228.08492	1.9
234.11240	85.8
238.07033	13.9
256.08252	3.4
261.12518	1.9
329.14905	28.1
359.15958	6.7
377.17068	67.3
395.17987	28.6
410.06595	1.9
413.13699	13.0
413.19678	31.8
429.77661	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56902	0.5
68.75171	0.8
70.06589	18.4
71.72697	0.5
72.08153	11.7
81.03414	1.0
85.02876	0.7
89.10788	2.4
96.04488	1.2
97.62590	0.6
99.04435	5.7
100.04805	1.0
121.06471	2.3
134.21602	0.7
135.04439	2.9
145.02837	3.8
150.09128	10.5
153.05804	2.7
163.03886	100.0
164.07117	0.8
167.11806	7.5
180.10197	3.4
193.09584	0.8
197.12871	1.2
198.11288	1.6
205.29135	0.8
215.13924	1.2
216.12323	1.0
232.09726	1.3
234.11223	7.1
234.13228	1.0
251.13881	1.4
329.14883	20.6
359.15933	1.6
377.17105	5.7
395.18256	12.4
413.19287	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.05524	3.0
55.24878	2.0
61.17717	1.9
69.03427	2.3
70.27280	2.1
75.23159	2.0
75.89127	1.9
79.05490	2.9
81.03413	14.1
85.02924	10.8
91.05492	5.2
93.07047	97.5
93.07638	3.4
95.08607	2.9
99.04460	100.0
105.07058	3.0
107.08597	46.7
109.10156	26.1
117.05479	4.5
127.03957	9.1
135.11710	83.7
145.04982	3.1
153.12755	8.5
179.45248	2.2
219.13876	3.3
225.07651	2.3
261.09650	3.6
261.14938	3.6
294.26346	2.2
319.61771	2.5
406.75824	2.4
413.17242	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82999	0.3
52.54842	0.3
56.24799	0.3
57.07073	2.5
69.07067	0.6
71.08620	2.2
72.04153	0.6
72.04517	10.6
78.09435	0.4
83.08609	1.8
85.10143	0.6
93.07051	0.6
93.83044	0.4
95.08656	1.2
100.04869	0.4
111.08087	2.6
119.83765	0.4
128.10736	1.8
139.07565	3.9
156.10202	2.2
172.26637	0.4
199.82063	0.4
206.03723	0.4
212.23730	1.0
230.24780	9.2
240.23210	100.0
258.24216	5.9
396.31058	3.9
413.33957	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19085	0.7
57.07087	6.4
58.45873	0.8
60.05654	7.0
65.27192	0.8
67.05502	1.6
69.07063	3.8
70.06595	36.7
70.97959	0.8
71.04987	3.5
71.08641	4.9
71.30336	0.8
72.08160	3.4
79.74727	0.8
81.07067	5.2
83.08637	1.8
85.10188	2.0
88.07631	0.8
93.40955	0.7
95.08611	6.0
102.80172	0.8
107.08643	1.0
109.10178	3.2
112.08733	15.7
113.07157	2.9
114.10307	4.4
115.08688	9.4
116.07095	24.3
121.10171	1.3
123.11728	1.3
130.09747	1.9
158.09242	40.0
159.07748	1.0
175.11920	21.4
353.31442	1.8
354.30075	8.9
396.32199	3.7
413.34875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64836	0.6
54.75346	0.6
55.00568	0.7
55.05513	0.7
57.07079	3.6
58.06602	3.6
59.98771	0.6
65.02313	0.8
68.23257	0.7
68.88105	0.6
69.07072	0.9
70.06599	1.1
71.08645	1.6
72.71699	0.6
74.90279	0.6
79.05521	0.6
81.07082	1.6
85.10167	0.7
93.07040	0.9
97.06532	0.8
97.10207	1.2
109.35964	0.8
115.08689	1.1
116.07146	1.1
117.81004	0.7
121.10170	4.6
130.81496	0.7
138.12843	3.1
139.11232	2.9
149.09654	1.4
156.13820	1.5
184.13348	5.0
211.13374	1.1
212.23721	100.0
214.54752	0.7
228.15923	10.0
230.24770	10.7
385.13184	1.3
395.36383	0.8
396.34644	0.9
413.37506	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95189	2.0
57.07072	6.1
58.06588	2.7
64.62647	2.2
69.01689	2.1
69.07062	4.1
71.08634	3.7
72.04511	5.5
81.07080	4.6
82.95621	2.0
83.08616	3.4
93.07048	5.2
95.08582	9.3
99.04520	3.7
107.08575	3.2
111.08090	3.3
121.10139	12.0
124.84359	2.3
132.17352	2.4
138.12779	3.6
139.11198	4.8
184.13339	4.5
191.08784	2.3
210.14926	10.4
211.13290	4.6
212.23721	81.2
227.17458	3.1
228.15919	5.6
230.24779	100.0
240.23199	80.9
395.36310	89.3
395.41476	4.2
396.34860	24.4
413.37741	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81826	1.2
57.03448	1.6
67.60699	1.4
69.03413	17.2
73.02911	3.5
81.03425	12.7
81.47604	1.5
85.02901	36.5
85.96571	1.5
88.03986	6.2
96.04494	2.9
97.02895	13.2
99.04462	6.9
102.05579	2.4
103.03940	11.7
108.04470	7.0
109.02889	18.9
112.03974	2.1
113.02370	17.0
117.00086	14.5
124.03918	2.5
126.05520	16.3
127.03916	31.9
131.03401	40.3
131.04349	3.3
142.03218	2.7
144.98351	3.1
144.99541	99.5
163.00591	31.2
170.02696	75.2
173.03040	2.0
173.04448	3.8
188.03754	9.7
193.10847	3.7
198.02194	13.1
199.02776	1.9
205.01704	7.0
216.03230	33.1
216.08688	2.8
217.01682	12.5
234.04248	6.2
239.11299	1.8
247.02780	2.4
252.05348	3.0
288.05396	7.4
289.03900	1.5
294.06436	8.6
306.06165	2.8
314.06882	2.8
330.06665	2.7
342.06631	3.3
355.12466	2.9
360.07410	32.8
378.08472	19.9
379.06839	2.0
396.09631	100.0
396.14566	3.8
414.10605	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64319	0.2
59.41632	0.2
65.12300	0.2
65.83284	0.2
68.79449	0.3
69.11317	0.2
113.47533	0.3
142.59586	0.2
148.01550	0.3
163.07530	0.4
177.01808	3.9
190.08687	0.4
191.07011	2.4
192.00453	0.4
194.75233	0.3
207.02876	100.0
320.09241	0.7
321.06274	1.2
336.08569	0.5
338.10312	0.3
349.05713	1.1
350.06656	0.4
354.09698	0.4
364.08066	1.5
382.09146	4.3
391.19290	0.3
414.11514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	2.9
70.06564	1.1
79.91014	0.6
80.66618	0.6
81.03419	0.7
85.02901	1.0
86.09696	3.1
88.03976	1.1
97.20045	0.9
99.04479	1.2
112.82675	0.8
120.04440	1.4
121.02858	14.0
125.04720	14.1
127.03895	1.6
131.91795	0.9
138.05501	1.5
141.01338	0.7
143.03386	3.8
164.07153	0.9
178.12132	1.0
184.05954	1.0
194.11755	5.9
204.06567	1.0
207.06532	3.0
212.12790	1.5
224.07039	3.1
225.07831	100.0
228.06523	9.4
229.07268	1.1
230.13916	1.2
235.13280	1.3
240.12206	5.3
253.07301	13.1
257.06815	72.4
258.13333	1.1
265.07382	0.9
268.05896	1.0
274.13013	0.9
285.06290	1.1
286.07068	8.3
294.07571	5.2
296.05453	6.4
308.05460	3.6
311.07904	5.1
316.41040	1.0
323.07864	4.6
324.08557	1.5
338.10043	1.0
339.07401	24.8
340.08081	3.1
349.67270	0.8
350.16000	1.5
354.09482	7.5
368.11307	0.8
368.16797	1.1
378.15393	11.6
382.09183	71.4
396.16296	7.0
414.11703	63.7
414.16116	2.8
414.20380	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01508	0.6
73.71834	0.7
92.20963	0.8
105.07072	1.4
112.32516	0.9
204.06519	1.9
209.06390	0.8
224.07132	1.9
225.07840	100.0
225.47430	0.8
228.06532	8.5
229.07220	1.5
253.07378	6.9
257.06818	57.8
268.05939	1.3
286.07095	9.7
294.07526	3.9
296.05573	6.3
308.05411	3.6
311.07858	4.4
321.50253	0.9
323.07803	4.5
324.08536	1.4
338.10358	0.9
339.07397	21.7
340.08090	1.8
354.09760	7.2
367.06601	1.4
378.17413	1.0
382.09192	75.1
414.11713	52.9
414.16806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86264	0.9
59.66299	1.0
61.88005	1.1
74.26767	1.1
110.46211	1.2
141.19356	1.3
142.87021	1.3
144.30351	1.2
193.04971	5.1
207.53166	1.2
223.06000	100.0
329.99469	1.6
364.08075	1.7
373.08810	5.5
382.09146	2.9
393.04010	1.4
426.87128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01508	0.6
73.71834	0.7
92.20963	0.8
105.07072	1.4
112.32516	0.9
204.06519	1.9
209.06390	0.8
224.07132	1.9
225.07840	100.0
225.47430	0.8
228.06532	8.5
229.07220	1.5
253.07378	6.9
257.06818	57.8
268.05939	1.3
286.07095	9.7
294.07526	3.9
296.05573	6.3
308.05411	3.6
311.07858	4.4
321.50253	0.9
323.07803	4.5
324.08536	1.4
338.10358	0.9
339.07397	21.7
340.08090	1.8
354.09760	7.2
367.06601	1.4
378.17413	1.0
382.09192	75.1
414.11713	52.9
414.16806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	5.2
63.37432	0.6
68.69016	0.5
70.06592	1.0
80.48838	0.5
83.55118	0.6
86.09702	0.7
99.08079	1.4
105.07027	3.8
106.07355	2.5
121.02850	2.8
121.05399	0.6
125.04703	1.3
137.06018	0.7
140.89638	0.6
143.03377	4.6
154.08638	0.9
155.77907	0.6
163.06003	0.6
175.03847	0.6
191.12578	0.8
194.26070	0.6
204.06516	1.0
208.05986	0.9
209.06340	1.0
224.07043	1.3
225.07832	100.0
228.06494	7.5
229.07355	2.6
234.11143	1.4
235.11487	2.5
235.13501	1.4
239.09496	0.9
253.07352	11.3
257.06812	68.5
259.47357	0.7
265.07327	1.2
274.12979	4.5
285.06339	0.7
286.07074	8.8
294.07581	5.3
296.05576	6.4
308.05539	4.2
309.11124	0.7
311.07755	3.6
322.06781	0.9
323.07724	3.7
324.08578	2.1
325.05856	0.9
330.15152	1.4
337.10434	2.4
339.03381	0.7
339.07364	21.8
340.08044	2.8
346.54694	0.6
354.09698	7.8
367.07031	1.0
369.13150	1.1
378.16959	3.0
382.09204	69.2
396.18991	0.7
398.96097	0.6
414.11673	49.3
414.19669	10.9
427.37549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.118
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71586	0.5
63.58163	0.6
74.91994	0.5
80.54259	0.6
90.21641	0.5
110.62933	0.6
135.04488	0.8
149.02338	0.8
150.03082	1.5
153.17015	0.7
175.03909	2.8
179.03433	0.8
193.01262	1.1
193.04956	6.7
223.05992	100.0
248.23676	0.7
260.69434	0.8
308.09024	1.0
336.08441	2.2
364.08215	5.8
368.12799	1.4
382.09207	5.0
398.13602	0.9
414.16937	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19380	0.5
56.42847	0.5
58.06588	0.7
83.19394	0.5
99.08107	4.5
121.06511	0.6
137.05925	2.4
176.07069	0.7
177.05344	1.0
178.64648	0.6
204.06410	2.5
224.07031	2.6
225.07825	100.0
228.06551	8.3
229.07207	2.8
235.13167	4.1
239.09195	1.4
253.07314	11.4
257.06805	79.3
264.16028	0.8
274.13058	1.0
280.05905	0.8
285.05966	0.7
286.07016	11.4
294.07626	4.9
296.05530	8.3
308.05426	3.7
311.07751	3.4
312.08197	0.7
323.07892	4.5
324.04871	0.6
324.08511	3.0
325.05597	1.0
339.07364	23.4
340.07904	1.3
354.09705	8.2
367.06506	0.9
368.50101	0.7
382.09189	75.0
396.19946	4.0
406.47992	0.6
414.11539	57.0
414.20663	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19380	0.5
56.42847	0.5
58.06588	0.7
83.19394	0.5
99.08107	4.5
121.06511	0.6
137.05925	2.4
176.07069	0.7
177.05344	1.0
178.64648	0.6
204.06410	2.5
224.07031	2.6
225.07825	100.0
228.06551	8.3
229.07207	2.8
235.13167	4.1
239.09195	1.4
253.07314	11.4
257.06805	79.3
264.16028	0.8
274.13058	1.0
280.05905	0.8
285.05966	0.7
286.07016	11.4
294.07626	4.9
296.05530	8.3
308.05426	3.7
311.07751	3.4
312.08197	0.7
323.07892	4.5
324.04871	0.6
324.08511	3.0
325.05597	1.0
339.07364	23.4
340.07904	1.3
354.09705	8.2
367.06506	0.9
368.50101	0.7
382.09189	75.0
396.19946	4.0
406.47992	0.6
414.11539	57.0
414.20663	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37329	1.1
64.64424	1.0
67.05503	1.1
81.07050	1.8
92.84697	1.1
95.08620	1.3
97.19023	1.0
109.10182	1.5
109.43900	1.2
117.79533	1.3
137.09584	8.1
163.07582	1.6
165.05357	1.3
165.09155	1.8
175.06331	5.0
175.07671	1.4
190.05087	2.4
190.08653	15.2
222.14905	1.6
227.98961	1.1
239.07188	1.8
258.17035	7.4
294.11349	2.4
306.07639	1.8
308.09778	1.9
315.65201	1.2
322.07098	6.1
322.10623	1.8
323.11411	2.1
324.08658	10.9
336.08585	5.7
336.12457	1.6
338.10208	13.6
339.11734	1.6
351.11392	2.1
352.08170	45.4
354.13470	14.2
366.09790	7.5
366.71509	1.1
367.10504	4.6
382.12833	87.4
397.42072	1.4
411.10916	1.2
414.15512	100.0
414.27701	3.1
422.65329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1546
Annotation	1-Methoxy-13-oxoallocryptopine
Peak:m/z	Relative Intensity
67.33732	1.4
70.63812	1.6
75.12912	1.6
86.06042	2.8
181.87820	1.6
190.08614	3.3
324.08594	2.7
338.10263	2.3
340.11868	2.4
352.08237	13.5
354.09747	6.4
354.13443	2.4
367.10638	3.6
368.11310	100.0
369.12021	3.1
382.12854	31.3
383.13626	23.2
384.14493	2.9
414.15546	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1547
Annotation	1-Methoxy-13-oxoallocryptopine
Peak:m/z	Relative Intensity
55.73463	0.4
57.50902	0.4
58.06593	0.5
59.92082	0.4
65.67884	0.5
86.06013	0.5
86.79426	0.5
137.05962	1.2
149.05981	14.2
154.83528	0.6
161.06007	0.5
162.03102	0.7
165.05479	0.6
176.07051	1.2
177.05466	100.0
189.05504	0.9
190.04958	0.6
191.05580	0.6
191.07036	2.2
192.06502	1.0
205.07335	0.9
206.05789	0.7
206.08159	3.3
219.22411	0.5
221.08055	6.8
298.07056	0.7
318.07672	0.8
320.09311	2.0
322.11136	0.8
331.09647	0.9
332.09259	1.9
333.10010	2.6
334.07132	0.6
338.10342	2.7
339.11188	1.9
340.11841	8.2
348.08914	0.9
349.09348	6.6
350.10223	0.6
354.13336	8.4
364.11746	18.5
368.11465	2.9
382.12817	7.4
396.10779	0.7
398.10141	1.1
414.15561	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66208	0.3
53.63691	0.3
55.01887	0.8
57.03436	2.3
58.06595	0.3
69.03439	3.0
69.24424	0.3
73.02901	0.5
79.99287	0.3
81.03386	0.5
85.02899	2.9
87.04474	0.4
87.86929	0.4
88.04191	0.4
92.57453	0.3
96.30814	0.3
97.02873	1.4
99.04456	1.9
103.03954	0.5
113.02335	0.6
115.03937	1.5
133.05028	0.8
137.05998	3.9
150.07751	100.0
154.08705	0.7
162.05559	0.4
171.28233	0.3
190.09909	0.4
192.10197	2.6
195.03397	0.4
257.26520	0.4
282.11957	4.6
390.26953	0.4
414.16254	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82103	0.2
58.25481	0.2
60.15679	0.2
63.55841	0.2
65.13857	0.3
69.03436	3.8
72.32518	0.2
78.76695	0.3
81.03413	1.8
85.02895	2.9
88.04022	0.3
93.63569	0.3
96.04447	0.6
97.02911	0.5
99.04456	2.0
105.00081	0.3
109.02872	0.6
113.02352	1.7
116.07110	0.3
117.05476	0.4
126.05479	0.3
127.03962	0.7
131.03398	6.8
136.06189	100.0
137.06030	1.3
144.99542	7.2
145.04994	0.6
147.01062	0.3
148.94514	0.3
163.00580	6.0
166.08626	0.5
170.02701	1.4
192.10184	8.1
216.03271	1.3
235.02701	1.5
252.12367	2.7
264.05603	0.4
294.06427	0.4
330.06458	1.9
354.15573	2.5
360.07532	0.4
378.08426	1.7
396.09567	8.9
414.10568	1.2
414.16714	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
61.02933	1.5
67.28738	0.9
69.03427	12.1
71.04990	2.3
73.02914	2.2
79.97920	0.8
81.03422	5.3
84.08127	1.0
85.02905	70.8
85.06568	1.2
87.04468	4.1
91.03950	3.7
96.04478	1.6
97.02900	16.3
99.04460	1.8
103.03893	1.0
106.73497	1.0
109.02888	7.7
113.02364	100.0
117.00053	1.3
127.03918	27.1
131.02419	1.3
131.03401	38.8
131.20717	1.2
144.99542	21.3
145.04942	16.9
163.00571	16.5
163.05939	1.4
164.07103	1.1
170.02686	2.4
185.72231	0.9
186.04710	1.0
186.54768	1.1
213.07547	1.8
233.99315	2.1
235.02635	1.6
236.98561	1.1
257.06485	8.6
275.07562	24.7
330.06580	4.8
343.10101	1.7
361.11417	9.1
368.02853	1.1
378.08624	2.1
379.12305	6.7
396.09525	18.4
414.03067	1.5
414.17960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63540	0.5
69.69458	0.6
70.78352	0.5
80.31930	0.6
80.39172	0.5
82.61441	0.6
86.06080	0.7
91.25094	0.6
111.08098	0.6
113.66132	0.6
121.10181	0.7
123.08028	0.7
205.43848	0.6
208.13356	1.2
278.56186	0.7
342.11276	1.1
343.12070	1.4
368.12778	30.8
369.13614	0.9
370.10425	4.7
370.14581	8.7
382.14362	1.0
384.12204	9.4
398.13797	22.7
399.14655	11.7
414.16968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63540	0.5
69.69458	0.6
70.78352	0.5
80.31930	0.6
80.39172	0.5
82.61441	0.6
86.06080	0.7
91.25094	0.6
111.08098	0.6
113.66132	0.6
121.10181	0.7
123.08028	0.7
205.43848	0.6
208.13356	1.2
278.56186	0.7
342.11276	1.1
343.12070	1.4
368.12778	30.8
369.13614	0.9
370.10425	4.7
370.14581	8.7
382.14362	1.0
384.12204	9.4
398.13797	22.7
399.14655	11.7
414.16968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1758
Annotation	Bruceolline N
Peak:m/z	Relative Intensity
53.03947	1.4
54.03126	0.8
55.32035	0.8
63.29534	0.8
64.62968	0.9
69.03436	2.3
81.03410	6.7
82.44065	1.0
84.08141	1.1
85.02914	8.7
87.04477	1.0
91.05484	9.8
96.76651	1.0
97.02876	6.8
99.04459	33.7
108.04517	1.3
109.02876	1.8
114.19285	0.9
119.04953	5.3
119.35141	0.9
121.06509	3.9
122.06020	6.1
126.05490	2.2
127.03903	2.0
136.07596	14.2
137.05978	100.0
144.06590	1.8
154.08635	14.1
162.07651	1.5
164.07054	8.6
166.08636	2.1
178.08601	3.6
180.10220	1.2
220.09599	1.3
226.08553	1.0
232.53647	1.0
244.09708	1.3
262.10800	2.2
280.11902	1.3
298.12915	1.3
317.52191	1.0
378.15497	6.3
396.16599	19.7
414.17599	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62292	0.6
53.03932	1.4
71.04989	1.3
79.27418	0.9
81.03414	5.4
85.02896	7.1
92.74953	0.8
99.04446	30.1
103.03927	2.2
121.06483	15.4
122.06028	1.8
133.06497	1.5
137.05963	9.0
143.04953	1.8
149.05965	5.5
151.07530	11.5
154.36513	0.9
161.05942	8.8
164.07031	9.5
165.05396	1.0
166.08630	1.1
175.07536	2.0
176.07133	1.3
177.05504	1.3
178.08611	16.7
179.07011	14.9
190.48808	0.8
191.06982	1.4
196.09744	4.0
202.08524	1.3
203.06985	1.3
207.61128	0.9
216.10176	1.3
218.08031	1.5
220.09653	5.8
227.07050	1.4
244.09624	4.9
245.07965	1.3
258.70355	1.1
262.10757	4.4
280.11618	2.0
298.12659	1.2
316.13934	1.5
414.17514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27895	0.7
50.81904	0.8
51.79111	0.7
60.82510	0.7
69.03426	4.9
70.06598	5.4
81.03426	1.0
84.04501	1.0
85.02895	7.7
89.25360	0.8
95.10693	0.8
96.04489	1.2
97.02914	1.5
97.20203	0.7
99.04447	5.4
102.86046	0.9
109.02862	0.8
113.02359	5.3
116.07069	1.7
117.00090	1.7
126.05522	0.9
127.03906	4.6
129.10249	0.8
131.03406	22.6
134.02704	0.8
136.06177	33.8
137.05971	4.2
144.99545	24.4
163.00595	15.8
166.08638	1.6
170.02731	4.8
178.08664	1.8
187.08691	1.7
192.10239	4.3
200.09419	1.0
213.10217	1.1
215.10603	4.3
216.03316	1.2
228.11200	8.8
235.02730	1.7
244.10815	2.0
245.14027	4.3
252.05316	1.3
252.09927	1.2
252.12274	7.5
261.11191	1.0
271.09561	1.2
272.11398	0.9
272.98532	1.0
289.12982	13.3
300.09897	1.3
330.06485	5.4
340.15277	32.8
341.16064	3.5
345.11813	1.3
353.16000	1.2
360.07471	1.6
369.15521	25.2
370.18546	1.5
378.08551	4.2
396.09595	26.2
414.11743	3.8
414.17682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27895	0.7
50.81904	0.8
51.79111	0.7
60.82510	0.7
69.03426	4.9
70.06598	5.4
81.03426	1.0
84.04501	1.0
85.02895	7.7
89.25360	0.8
95.10693	0.8
96.04489	1.2
97.02914	1.5
97.20203	0.7
99.04447	5.4
102.86046	0.9
109.02862	0.8
113.02359	5.3
116.07069	1.7
117.00090	1.7
126.05522	0.9
127.03906	4.6
129.10249	0.8
131.03406	22.6
134.02704	0.8
136.06177	33.8
137.05971	4.2
144.99545	24.4
163.00595	15.8
166.08638	1.6
170.02731	4.8
178.08664	1.8
187.08691	1.7
192.10239	4.3
200.09419	1.0
213.10217	1.1
215.10603	4.3
216.03316	1.2
228.11200	8.8
235.02730	1.7
244.10815	2.0
245.14027	4.3
252.05316	1.3
252.09927	1.2
252.12274	7.5
261.11191	1.0
271.09561	1.2
272.11398	0.9
272.98532	1.0
289.12982	13.3
300.09897	1.3
330.06485	5.4
340.15277	32.8
341.16064	3.5
345.11813	1.3
353.16000	1.2
360.07471	1.6
369.15521	25.2
370.18546	1.5
378.08551	4.2
396.09595	26.2
414.11743	3.8
414.17682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
66.00108	0.8
69.03458	2.5
69.48858	1.1
70.06625	1.1
71.04982	2.0
75.51462	0.9
76.42894	0.8
81.03435	2.6
85.02895	8.3
89.06052	1.0
91.05499	2.0
96.04525	2.4
97.02926	1.8
98.06099	1.2
99.04461	28.0
100.04776	1.4
103.03929	2.0
103.05509	1.2
109.02908	1.2
121.06500	23.7
123.04482	1.2
127.03915	1.9
129.10237	1.2
137.05981	27.6
137.06905	1.5
149.06047	4.3
151.07555	10.8
152.07072	1.2
161.05936	7.5
162.98871	1.8
164.07007	8.0
166.08675	3.6
175.06401	5.3
178.08636	12.4
179.07048	9.0
185.05992	1.7
188.07062	16.5
189.09155	1.2
189.99321	1.1
196.09775	5.1
203.07153	1.5
204.06552	50.7
216.06610	9.9
216.10277	1.3
217.08746	1.2
218.08221	1.7
220.09785	4.4
234.07585	30.9
244.09770	2.4
245.08064	1.4
252.08664	33.7
252.12440	4.2
262.10773	1.5
336.84329	1.2
396.07959	6.7
396.16684	6.8
414.17880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27895	0.7
50.81904	0.8
51.79111	0.7
60.82510	0.7
69.03426	4.9
70.06598	5.4
81.03426	1.0
84.04501	1.0
85.02895	7.7
89.25360	0.8
95.10693	0.8
96.04489	1.2
97.02914	1.5
97.20203	0.7
99.04447	5.4
102.86046	0.9
109.02862	0.8
113.02359	5.3
116.07069	1.7
117.00090	1.7
126.05522	0.9
127.03906	4.6
129.10249	0.8
131.03406	22.6
134.02704	0.8
136.06177	33.8
137.05971	4.2
144.99545	24.4
163.00595	15.8
166.08638	1.6
170.02731	4.8
178.08664	1.8
187.08691	1.7
192.10239	4.3
200.09419	1.0
213.10217	1.1
215.10603	4.3
216.03316	1.2
228.11200	8.8
235.02730	1.7
244.10815	2.0
245.14027	4.3
252.05316	1.3
252.09927	1.2
252.12274	7.5
261.11191	1.0
271.09561	1.2
272.11398	0.9
272.98532	1.0
289.12982	13.3
300.09897	1.3
330.06485	5.4
340.15277	32.8
341.16064	3.5
345.11813	1.3
353.16000	1.2
360.07471	1.6
369.15521	25.2
370.18546	1.5
378.08551	4.2
396.09595	26.2
414.11743	3.8
414.17682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85919	2.2
57.03457	22.5
57.07079	4.6
58.06590	2.7
59.04995	15.0
69.03429	74.9
73.02913	13.4
81.03398	3.8
81.37315	3.0
85.02908	68.7
85.06541	34.8
87.04471	78.5
89.47346	2.8
91.05524	3.5
97.02266	3.5
97.02889	92.4
99.04454	21.0
103.07581	90.2
111.39909	3.3
115.03922	100.0
115.04685	5.3
122.06036	3.0
123.04446	3.0
127.03941	13.7
133.04958	79.6
137.05957	38.9
145.04924	5.9
150.07655	4.6
151.07610	3.0
171.53165	2.7
189.04280	2.9
217.10753	13.9
235.11891	5.9
259.08099	3.3
265.12741	5.2
295.10272	12.4
368.11264	5.4
396.16461	13.9
414.12213	4.3
414.17651	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85919	2.2
57.03457	22.5
57.07079	4.6
58.06590	2.7
59.04995	15.0
69.03429	74.9
73.02913	13.4
81.03398	3.8
81.37315	3.0
85.02908	68.7
85.06541	34.8
87.04471	78.5
89.47346	2.8
91.05524	3.5
97.02266	3.5
97.02889	92.4
99.04454	21.0
103.07581	90.2
111.39909	3.3
115.03922	100.0
115.04685	5.3
122.06036	3.0
123.04446	3.0
127.03941	13.7
133.04958	79.6
137.05957	38.9
145.04924	5.9
150.07655	4.6
151.07610	3.0
171.53165	2.7
189.04280	2.9
217.10753	13.9
235.11891	5.9
259.08099	3.3
265.12741	5.2
295.10272	12.4
368.11264	5.4
396.16461	13.9
414.12213	4.3
414.17651	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	1.7
75.63584	1.0
75.78286	1.0
85.02899	1.3
85.06543	27.8
86.09707	100.0
88.03938	1.3
101.28773	1.3
103.07597	5.0
113.59771	1.1
121.08593	5.4
129.65886	1.0
130.23357	1.0
132.10205	60.8
136.06186	23.3
137.05928	1.8
166.08556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	1.7
75.63584	1.0
75.78286	1.0
85.02899	1.3
85.06543	27.8
86.09707	100.0
88.03938	1.3
101.28773	1.3
103.07597	5.0
113.59771	1.1
121.08593	5.4
129.65886	1.0
130.23357	1.0
132.10205	60.8
136.06186	23.3
137.05928	1.8
166.08556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61647	0.7
55.40711	0.7
56.05045	3.7
57.07073	3.8
58.06606	7.1
60.04519	1.1
65.76484	1.0
70.38360	0.7
71.08630	3.6
72.08174	1.0
74.06070	5.0
85.10184	1.0
86.06077	12.6
88.07633	16.4
88.44418	0.9
104.07096	5.2
118.08661	3.2
124.99062	3.2
132.10184	5.2
162.11183	3.1
166.10768	7.7
212.05849	3.4
242.07036	1.1
242.24777	46.2
250.43564	0.8
254.24902	1.1
270.18146	0.8
286.27472	13.2
310.87289	0.9
316.28436	1.8
320.09058	1.2
334.26450	1.4
334.29532	38.7
342.03812	4.6
343.04056	23.9
354.23297	6.3
358.06305	5.9
366.23145	8.4
372.08496	3.6
372.23950	1.6
373.08762	27.5
414.25201	100.0
421.92752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41880	0.4
55.05516	2.0
57.07072	1.9
60.92648	0.4
69.07072	0.6
81.07057	0.9
81.89055	0.4
83.04979	1.0
85.06539	1.1
93.07056	2.7
95.08617	4.7
100.07627	0.5
107.08619	4.8
108.90186	0.5
109.06521	0.5
109.10128	0.9
111.03701	1.0
111.04446	26.0
111.08060	0.8
112.07574	0.5
117.16939	0.5
118.35077	0.5
120.68382	0.5
121.06476	1.0
125.05982	8.6
127.07548	0.8
135.08070	3.0
135.11722	8.1
136.98911	0.5
137.05956	0.7
139.07512	0.7
145.10112	5.2
149.77849	0.5
153.12689	3.3
162.58046	0.5
163.11174	9.3
181.12233	100.0
217.14348	2.6
231.25076	0.7
303.48337	0.5
396.31180	1.4
396.36417	1.8
414.23468	0.7
414.32178	3.4
414.37326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32231	1.4
55.05511	2.5
58.17636	1.4
61.32337	1.6
67.05505	4.0
69.07068	2.4
74.98399	1.5
79.05505	2.3
81.03391	2.2
81.07036	7.3
93.07041	3.8
95.04964	3.3
95.08605	2.1
105.07011	3.3
107.08612	3.3
119.08599	2.2
119.14916	1.6
121.06494	100.0
121.94878	1.7
127.83746	1.6
138.09132	12.9
151.11148	1.9
168.47948	1.8
187.85019	1.7
197.11731	7.7
197.64876	2.1
290.17645	6.9
321.57315	1.8
414.30084	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2995
Annotation	5-epi-smenospongiarine
Peak:m/z	Relative Intensity
55.05513	0.6
55.81445	0.6
57.07071	0.8
65.00096	0.6
66.41523	0.6
67.05503	4.0
67.21715	0.7
69.07057	1.3
71.08621	8.2
72.04505	1.3
79.05499	3.0
81.07066	5.5
83.08660	1.1
91.05479	3.6
93.07049	4.5
95.04958	0.8
95.08626	4.5
99.08118	4.2
102.38998	0.7
105.07063	0.8
107.08604	3.1
109.10140	1.5
117.07030	1.1
118.05004	4.9
119.08576	2.7
121.06497	100.0
121.10111	1.4
125.36513	0.8
133.10139	1.4
135.11699	2.9
138.09142	15.1
145.10129	0.8
151.11203	3.5
161.13220	1.0
179.14302	2.6
204.03348	0.7
270.93839	0.8
297.68149	0.8
316.22711	12.5
317.20938	0.8
332.15338	1.0
372.27548	2.9
396.29388	3.2
414.21588	1.3
414.30121	43.4
435.08972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3001
Annotation	Metachromin S
Peak:m/z	Relative Intensity
54.36934	0.6
55.05519	1.3
57.07080	3.1
67.05501	5.9
69.07062	0.8
71.08632	4.7
79.05484	1.4
81.07061	6.3
85.10182	2.5
89.06033	2.6
93.07056	1.4
95.08585	5.2
106.06559	0.9
107.04952	6.4
107.08638	0.7
109.10152	1.4
119.08648	0.9
121.06483	5.1
123.44651	0.7
129.64099	0.6
133.08656	0.7
134.06032	1.3
135.04414	18.4
137.05949	1.3
139.71785	0.7
152.07062	100.0
165.09084	0.7
210.84338	0.7
271.15384	7.0
397.29007	3.5
406.14359	0.7
414.14792	0.7
414.30023	22.4
414.35422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36934	0.6
55.05519	1.3
57.07080	3.1
67.05501	5.9
69.07062	0.8
71.08632	4.7
79.05484	1.4
81.07061	6.3
85.10182	2.5
89.06033	2.6
93.07056	1.4
95.08585	5.2
106.06559	0.9
107.04952	6.4
107.08638	0.7
109.10152	1.4
119.08648	0.9
121.06483	5.1
123.44651	0.7
129.64099	0.6
133.08656	0.7
134.06032	1.3
135.04414	18.4
137.05949	1.3
139.71785	0.7
152.07062	100.0
165.09084	0.7
210.84338	0.7
271.15384	7.0
397.29007	3.5
406.14359	0.7
414.14792	0.7
414.30023	22.4
414.35422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52145	1.6
57.07081	19.3
60.45391	2.1
70.06594	2.2
71.08637	42.2
85.10185	28.1
86.57891	1.8
89.06031	44.4
91.05475	3.9
93.07047	10.6
95.08640	2.5
106.36089	1.7
107.08567	2.0
121.06504	65.0
133.08577	4.2
146.51703	2.0
147.08055	2.9
147.67038	1.9
158.09166	2.2
165.09131	22.3
247.20590	2.1
257.45547	2.1
271.15387	100.0
290.24628	1.9
344.85550	2.0
397.29449	43.0
414.35284	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	3.9
58.06612	5.0
60.71379	3.0
60.77709	3.0
63.15179	3.5
65.47932	2.7
67.05511	5.7
69.07069	8.3
69.50331	3.2
70.06579	7.1
81.07064	16.7
83.08637	4.9
93.07046	3.8
95.08605	20.5
109.10159	8.2
119.08517	4.0
120.08121	4.3
126.12776	4.3
128.14360	16.7
149.13298	3.5
168.17438	6.7
182.15347	5.9
274.20123	15.1
314.23386	7.9
414.32016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3573
Annotation	CHEBI:83244
Peak:m/z	Relative Intensity
53.68459	0.9
53.91285	1.0
55.05518	11.3
55.05732	1.1
57.07079	11.1
58.21027	1.0
60.39852	1.3
67.05484	1.6
69.07069	30.0
71.08636	9.1
73.45264	1.2
81.07053	5.0
83.08617	29.2
85.10172	2.5
91.16714	1.4
93.07047	2.1
95.08591	2.7
97.10175	23.8
102.05541	12.7
104.07106	100.0
104.07807	3.2
111.11703	8.8
114.96735	1.2
121.06508	6.5
135.11736	2.2
146.37877	1.5
293.28403	8.6
294.18878	1.3
394.07135	1.4
396.34698	29.9
414.35208	16.2
414.42923	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53300	3.5
78.29961	3.1
78.83661	3.3
95.06910	3.9
97.37850	3.3
98.97581	60.5
105.91473	3.2
110.19216	4.0
116.98608	42.9
119.12676	3.6
131.73322	3.6
134.99672	14.5
180.60533	3.5
237.72145	3.6
256.96484	18.4
258.99942	5.7
260.00000	12.5
274.97464	100.0
286.01492	28.2
292.98569	73.2
314.00797	6.6
348.82913	4.2
350.03357	5.3
374.03128	16.9
392.04062	30.1
414.95435	7.2
432.96347	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08166	2.9
85.02918	3.2
86.09692	4.6
97.02911	3.6
99.04459	28.4
116.07088	2.9
121.06509	3.1
126.57449	2.5
137.56740	2.7
147.04446	4.5
148.29678	3.0
164.07005	3.0
164.89407	2.9
295.10892	2.9
355.67822	3.1
361.49637	3.2
415.09958	100.0
415.15060	20.2
415.19806	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52163	1.7
56.25919	1.9
56.64224	2.1
57.56211	2.2
58.17170	2.1
86.54882	2.3
95.47328	2.0
109.40688	2.1
115.17001	1.9
196.69745	2.0
240.46753	2.2
250.19574	2.1
286.74939	2.6
400.33868	2.2
415.09985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	3.1
60.43259	2.3
65.44970	2.4
68.81767	2.5
70.06593	6.8
72.08162	4.1
73.89198	2.4
74.12872	2.4
81.03436	2.9
89.05491	2.8
93.94327	2.9
96.47875	2.8
99.04469	6.6
106.06178	2.6
116.07005	4.0
116.63387	2.7
125.04743	4.6
144.43015	2.7
145.25250	3.1
147.04395	7.0
148.04781	5.9
183.11308	3.9
235.17078	3.2
238.48923	2.6
279.90482	3.3
397.15521	3.8
407.46542	3.0
415.09900	100.0
415.14893	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51602	1.8
57.01293	2.1
62.07183	2.1
65.51460	2.7
85.02913	3.0
91.01984	2.4
99.04453	15.6
100.04806	3.5
108.37685	2.5
176.98395	2.4
234.99014	25.0
267.04001	3.1
307.38217	2.5
369.02673	10.3
415.03635	8.1
415.09863	100.0
415.17822	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09702	1.5
92.88474	1.1
95.09475	1.0
121.06528	1.6
122.06044	1.6
136.07570	7.2
138.05498	1.4
152.07050	1.4
171.41225	1.3
214.08589	1.4
214.16652	1.1
241.87744	1.2
254.41005	1.2
331.12775	9.1
379.14935	7.2
415.09943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74846	0.9
69.07063	0.9
70.06588	3.8
86.09720	2.0
99.04435	1.3
102.85854	0.9
121.19691	1.0
141.29243	1.0
168.06612	1.2
179.09277	1.1
312.08643	3.5
355.12848	2.2
371.16241	2.7
415.10025	100.0
415.15115	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71542	1.5
63.19080	1.7
72.01813	1.6
74.71069	1.5
77.63881	1.5
79.23196	1.7
81.27247	1.8
88.74666	1.8
89.19083	1.6
99.16315	1.7
180.72530	1.7
211.86670	1.8
249.44029	1.8
390.23306	2.2
415.04565	3.3
415.09900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1379
Annotation	Picropodophyllin
Peak:m/z	Relative Intensity
72.10136	1.3
107.04933	2.7
117.06992	1.9
121.06490	2.7
124.30984	1.5
145.06494	2.7
149.05966	16.6
150.06329	3.5
153.05434	3.6
166.06287	6.3
167.07022	12.8
168.07761	10.1
168.38760	1.5
181.04968	6.6
181.08585	6.9
191.07149	2.6
195.06509	5.4
212.38499	1.5
233.09628	1.9
236.46288	1.5
237.09074	1.6
247.07510	7.1
248.08322	6.2
249.09103	9.1
251.10619	3.0
261.09131	11.2
262.09854	6.4
263.06989	6.4
263.10611	1.4
264.07840	8.4
265.08636	1.6
275.06961	5.4
276.06860	2.1
277.08539	15.2
278.09390	12.5
279.07336	1.8
279.10101	15.8
279.84589	1.6
281.08224	1.9
289.08679	2.9
291.06543	2.8
291.10181	7.3
293.08105	10.1
293.11713	7.5
294.08813	2.9
294.12411	2.1
295.09653	6.7
296.78790	1.6
303.06625	2.5
305.08060	9.4
306.08905	8.6
307.06174	3.9
307.09509	30.2
308.06927	2.7
308.10367	11.8
309.07721	2.9
309.11115	6.9
312.57889	2.5
319.08426	8.6
320.08774	2.8
321.07565	9.7
321.11258	15.8
322.08527	4.1
322.11951	10.9
323.08789	11.5
334.10724	17.8
335.11029	8.4
336.10995	6.7
337.10794	11.1
339.08508	5.6
339.12323	5.9
349.07111	1.6
350.07840	2.3
351.08646	12.4
351.12439	2.8
353.09995	2.0
353.13821	2.7
365.10175	7.9
366.11011	7.2
367.08099	2.2
369.13409	5.8
381.09830	2.0
382.10172	2.4
385.12921	13.1
397.12732	63.4
415.13791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.43419	0.3
56.52914	0.3
63.52957	0.3
67.49013	0.3
69.03435	1.6
71.04993	1.2
73.02915	0.5
81.03423	10.4
81.67914	0.3
85.02903	6.7
93.61905	0.3
97.02894	5.0
99.04458	100.0
101.02380	0.3
103.03936	1.3
105.11319	0.3
109.02897	1.7
110.57452	0.3
113.42726	0.3
114.97787	0.3
116.07786	0.3
117.05488	9.6
121.98991	0.4
127.03940	2.9
129.07028	0.4
134.43958	0.4
136.05215	0.3
137.05951	5.4
137.06755	0.3
143.92764	0.3
145.04977	1.3
145.06613	0.3
149.05972	0.5
151.07513	1.3
161.05981	2.2
165.05414	2.4
167.06992	0.6
175.07510	2.3
179.07051	2.4
181.06483	0.6
185.05914	1.3
189.09039	0.4
191.07101	0.4
195.06487	0.6
199.07532	0.6
203.07024	3.6
205.08621	0.5
217.08617	1.8
221.08032	3.2
227.07214	0.5
233.07957	0.6
243.08630	0.7
245.08061	3.9
251.09200	0.7
261.09689	2.7
263.09183	6.6
281.10193	1.9
302.08170	0.4
325.85416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13789	2.1
58.06608	21.8
59.06967	2.9
65.41746	2.2
66.42569	2.2
69.03436	9.6
70.06596	15.2
72.08160	3.6
81.03428	10.6
84.04510	28.8
85.02906	10.0
87.04432	3.3
88.63322	2.5
91.05535	2.2
97.02891	90.0
98.06059	3.7
99.04430	3.3
109.02888	12.2
109.05286	4.5
111.04445	5.1
111.31923	2.3
114.05547	11.9
121.06534	2.8
122.06839	3.1
124.07592	86.2
126.05569	5.0
127.03925	10.0
130.04994	48.2
130.06606	2.5
134.06026	3.1
136.07608	10.1
142.05035	17.8
148.07631	5.6
149.57654	2.6
150.05528	3.8
162.05487	12.6
162.09117	3.1
164.07060	18.9
166.08722	2.8
169.13310	3.1
174.07619	3.1
177.05566	3.6
179.07030	2.4
180.06584	5.2
184.09738	3.2
190.08672	10.4
192.06575	18.8
192.10228	39.9
194.08148	6.1
206.11708	2.7
206.67667	2.8
208.06078	54.9
226.07092	4.8
227.74933	2.8
236.09169	100.0
238.07094	31.1
250.10788	3.3
256.08099	25.2
274.09216	20.3
310.12762	4.3
311.13196	11.6
327.12485	5.5
331.12891	45.4
361.13818	4.2
371.16010	5.3
379.15012	58.9
385.12573	4.1
397.16074	36.9
415.16260	62.5
415.21811	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1751
Annotation	Pyramidatin G
Peak:m/z	Relative Intensity
51.06789	3.3
67.78289	3.1
88.59055	3.1
99.79104	3.3
116.91621	3.2
119.08613	4.4
121.10210	3.8
122.09112	3.7
159.07816	3.5
166.06242	24.1
181.08607	56.2
188.08238	6.1
190.06218	4.4
204.07687	5.2
205.08571	4.9
209.08017	5.1
219.10172	7.4
221.08119	8.6
224.31990	3.6
245.76852	4.0
292.10791	3.5
307.09583	3.8
308.10342	7.1
309.11130	4.0
313.10550	5.3
320.09253	16.6
323.12729	15.5
325.10733	5.5
327.12039	5.4
328.13275	4.6
333.11438	6.3
335.12787	23.0
336.09949	14.1
337.10883	5.8
339.12268	19.1
341.10147	17.6
341.13901	5.8
350.11768	3.7
351.12265	89.0
354.14893	4.0
355.11771	14.9
357.13275	6.1
365.13495	6.0
366.14627	51.3
367.11755	7.8
369.13281	22.1
371.14877	65.9
384.15573	8.2
397.16364	63.4
415.17459	100.0
415.22473	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18438	0.4
59.53651	0.4
64.15169	0.4
67.05520	0.6
70.89175	0.5
78.19513	0.4
79.05520	0.9
81.07091	2.0
83.05005	0.6
91.05505	0.6
93.07088	2.5
95.08652	1.0
96.09002	0.5
106.66843	0.5
107.08618	0.9
109.10194	1.2
110.86857	0.5
117.57134	0.5
119.08606	1.0
121.10143	0.9
123.04427	0.5
129.97736	0.5
131.72343	0.5
135.08125	0.5
145.10286	0.6
147.72148	0.6
189.09074	0.6
192.06654	0.6
261.22247	0.8
313.13727	0.7
381.26520	0.9
387.17001	100.0
415.20120	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10010	0.3
61.16363	0.4
62.91211	0.4
67.05549	0.6
79.05530	0.7
81.07112	2.0
86.22743	0.4
88.07669	1.0
93.07101	1.0
95.08659	1.7
97.37977	0.4
98.98544	0.6
101.94875	0.4
109.10193	0.6
119.08643	1.1
121.10184	0.6
132.40144	0.4
135.11748	0.6
138.20430	0.4
149.13228	0.6
149.93219	0.5
155.01089	1.0
164.25055	0.5
242.24838	0.9
243.21031	0.5
259.58722	0.5
261.22208	2.1
305.21182	0.4
313.13327	0.8
333.19156	0.7
344.05426	1.0
355.23257	1.0
358.13254	0.7
374.09924	1.9
387.17047	100.0
415.20163	87.6
415.35144	1.1
424.70245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61467	0.5
55.05518	0.9
57.03448	0.6
67.05518	6.0
69.07079	1.0
79.05502	5.3
80.25734	0.5
81.07052	6.0
83.08633	2.3
84.57751	0.6
85.13821	0.5
91.05482	5.0
93.07047	9.8
95.08611	7.6
97.10188	0.7
98.98466	10.4
105.07024	2.1
107.08585	6.8
109.10150	3.1
117.07025	2.2
119.08582	100.0
121.10160	7.8
123.11736	0.9
131.08566	3.5
133.06540	0.9
133.10120	2.8
135.11707	6.8
145.10123	3.7
147.11693	1.3
149.13268	5.1
155.01036	16.6
159.11708	3.1
161.13310	1.4
163.14810	3.8
173.13287	2.8
187.14864	2.6
241.62590	0.6
243.21046	5.8
261.22153	19.2
415.22083	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10351	3.1
55.05520	5.8
57.03429	2.8
57.07088	6.4
60.62520	3.1
61.53270	3.1
67.05508	23.8
69.07064	4.9
79.05506	22.1
81.07063	39.1
83.08643	5.4
91.05450	11.6
92.49937	2.9
93.07048	42.4
95.08610	28.2
97.06005	3.6
97.10158	4.5
98.98481	49.1
102.12341	3.1
105.07027	19.6
107.08596	32.5
109.10149	18.0
119.08594	6.2
121.06532	6.3
121.10136	30.9
123.11679	4.2
131.08595	16.6
133.10089	3.8
135.11702	27.7
145.10132	14.2
147.11702	5.2
149.09665	13.8
149.13232	23.2
155.01010	61.5
159.11699	18.4
161.13287	6.1
163.12596	3.9
163.14865	6.1
187.14854	5.6
214.14442	6.3
224.06395	5.8
228.23199	30.1
233.22646	5.4
236.38646	3.2
243.21117	45.0
261.22113	100.0
322.10583	4.4
344.05252	17.5
374.10129	32.9
415.22217	38.3
415.35339	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06264	1.4
51.72446	1.7
53.10893	1.6
55.05502	1.7
57.03426	1.5
67.05501	14.4
69.07062	2.9
74.05064	1.6
74.49841	1.6
78.80857	1.7
79.05491	9.7
81.07048	21.1
84.08136	3.7
85.06534	1.9
87.81927	1.8
91.05434	4.0
93.07034	24.6
95.08605	16.0
97.06466	1.7
98.98456	28.7
105.07018	7.7
107.08604	16.0
109.10135	7.1
117.06986	3.1
119.08553	7.0
121.10123	18.3
131.08545	4.0
133.10138	2.9
135.11661	14.3
145.10143	4.2
147.14914	1.9
149.09624	2.2
149.13234	10.8
155.01019	25.6
159.11676	3.0
161.13216	3.2
163.11192	2.7
163.14793	3.4
173.13258	3.9
182.31107	1.8
187.14832	2.3
205.27164	2.1
233.22629	2.0
243.21138	14.8
261.22089	52.6
344.05283	58.8
359.07697	25.6
374.09958	100.0
415.14261	3.3
415.21884	16.0
415.26886	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06703	2.9
63.17799	3.8
67.05504	18.3
67.47704	3.3
79.05491	8.1
81.07075	18.0
82.76773	4.2
83.08577	4.6
91.05489	5.8
93.07038	29.4
95.08591	25.5
98.98468	45.9
107.08625	18.0
109.10166	7.9
119.08619	10.1
121.10135	22.3
130.92702	4.0
131.08609	13.0
135.08047	5.3
135.11720	17.3
145.10139	6.6
147.11726	4.2
149.09625	21.2
149.13251	8.6
155.01056	47.3
163.14827	6.1
173.13223	7.6
196.14136	3.8
243.21092	32.9
261.22058	100.0
374.04172	4.7
407.28821	4.5
415.22571	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
55.98242	0.4
56.87808	0.4
59.29308	0.4
67.05199	0.5
67.05498	5.1
69.07052	0.8
70.61687	0.5
73.19685	0.4
79.05483	3.7
81.07053	7.6
83.08608	0.8
91.05488	3.9
93.07047	7.5
95.08602	5.6
97.06564	0.5
98.98466	8.8
102.71768	0.5
105.07050	1.2
107.08585	6.5
109.10161	2.6
117.07025	2.0
119.08575	100.0
119.92361	0.5
121.10129	6.5
123.11713	1.9
131.08577	2.8
133.06461	1.1
133.10139	2.6
135.08006	0.7
135.11679	4.1
145.10124	2.6
147.11713	2.3
149.13264	4.8
155.01031	15.6
157.02371	0.5
157.92892	0.5
159.11710	2.6
161.13272	1.9
163.14789	3.0
173.13216	0.8
185.73755	0.6
187.14708	0.7
233.22775	0.5
243.21164	5.3
261.22113	17.0
315.16745	0.5
333.17715	0.8
361.38147	0.6
415.22098	7.7
415.35510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96556	0.3
55.05227	0.5
55.05510	1.3
57.03439	0.4
57.07076	1.3
65.16594	0.3
67.05508	6.2
69.07059	2.0
71.08643	0.4
73.36002	0.3
75.47649	0.3
79.05502	4.5
81.07066	6.6
83.08620	1.3
91.05465	2.2
93.07045	8.4
95.08600	6.8
97.10192	0.4
98.22704	0.3
98.98468	10.8
98.99099	0.5
99.08060	0.5
105.07038	1.4
107.08601	6.4
109.10145	3.4
109.30202	0.3
117.07019	1.5
119.08582	2.1
121.10139	6.4
123.11745	0.8
128.66119	0.3
131.08537	2.9
133.10129	1.7
135.08038	0.8
135.11699	4.7
137.09587	0.4
145.10138	3.1
147.11684	2.0
149.09583	2.6
149.13251	4.2
151.14902	0.4
153.12688	0.4
155.01036	12.9
159.11697	1.9
161.13251	0.8
163.14796	1.9
169.34125	0.3
173.13240	2.7
175.14784	0.5
177.16345	0.6
187.14853	1.3
205.44380	0.4
233.22626	2.2
243.21065	8.2
261.22110	22.0
344.05286	62.5
359.07617	23.2
359.12167	0.5
374.09979	100.0
392.11038	0.6
415.12860	0.5
415.22305	5.8
438.16367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2323
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01880	1.7
55.05521	34.4
67.05509	12.9
69.03449	8.1
69.07073	6.1
71.50865	0.8
79.05495	11.1
81.07054	10.5
83.04982	3.8
83.08620	38.6
85.06547	1.7
91.05501	1.6
93.07042	5.5
95.08594	0.9
97.10171	94.0
101.09686	0.9
107.08597	23.2
111.08125	2.0
117.06989	0.9
125.09628	69.4
129.34929	1.0
135.08057	5.5
138.54221	1.2
143.10703	1.1
153.09097	3.8
155.90799	1.0
161.00940	1.0
171.10196	6.5
184.05159	1.1
189.11212	24.3
227.12770	29.3
397.22208	8.9
415.23251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05277	2.4
55.05519	39.1
67.05507	12.6
69.03416	3.6
69.07076	6.2
72.90894	1.6
79.05489	12.0
81.07051	13.9
83.04981	3.0
83.08620	39.7
88.74211	1.5
92.21635	1.9
94.15799	1.5
95.08576	1.8
96.21001	1.6
97.10171	98.1
107.08595	21.6
111.08073	4.2
111.56557	1.6
119.08492	1.8
119.39584	1.8
119.80281	1.6
120.43703	1.5
121.10123	1.8
125.09635	69.6
135.08041	4.2
146.77223	1.8
170.82002	1.6
171.10205	2.5
189.11232	27.1
227.12790	31.0
237.91045	1.6
364.31012	1.9
397.22293	9.5
415.14008	3.1
415.23233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32565	0.9
52.80536	1.1
60.81617	1.0
81.07062	1.5
119.08591	22.7
242.94412	1.3
268.14963	1.3
345.79767	1.3
351.18494	2.6
397.23608	12.2
401.39532	1.4
415.24582	100.0
434.48810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25185	0.6
65.62420	0.7
75.70786	0.6
80.44996	0.7
119.08566	12.7
164.88142	0.7
176.43262	0.8
250.44272	0.8
351.18533	1.2
375.60556	0.8
397.23419	12.5
415.24530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53678	1.4
57.07088	2.4
60.60599	1.8
61.31288	1.7
67.05532	1.9
71.08634	2.3
78.64969	1.6
81.07078	2.5
85.10176	1.8
89.06052	4.0
91.96396	1.7
93.07053	2.2
99.04453	2.0
119.08579	66.0
121.06448	2.9
123.11644	2.5
147.11644	2.3
233.06598	2.0
271.15387	3.2
272.15747	4.0
359.41434	2.2
398.29950	2.4
415.24557	100.0
415.33102	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94535	1.0
53.24341	1.1
56.11994	1.2
56.41271	1.1
57.07082	1.5
57.94652	1.3
67.05538	1.9
69.07084	1.2
79.05485	1.2
81.07065	5.5
85.06545	1.3
91.05468	2.7
93.07068	2.8
95.08601	5.3
105.07078	1.8
107.08596	6.4
107.48270	1.0
109.10154	3.0
116.42450	1.3
119.08585	39.7
119.09422	1.3
121.10196	2.6
131.08601	1.9
133.10129	2.6
137.05981	31.7
138.06345	15.9
149.13252	1.7
154.08632	7.5
155.09007	4.6
173.13286	1.3
214.83286	1.3
244.43173	1.3
298.31870	1.3
415.24591	100.0
415.30472	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39902	1.3
58.06589	2.6
60.35904	1.5
70.06571	1.5
71.84292	1.2
76.64268	1.5
78.72964	1.3
79.80910	1.3
81.03391	1.7
95.00068	1.4
99.04468	15.7
99.23660	1.4
100.04785	1.4
109.10149	1.6
121.06506	1.5
137.06012	1.9
151.85164	1.5
156.10231	1.9
164.07156	1.9
166.08617	2.0
169.38052	1.4
194.08144	1.6
196.67191	2.0
224.07047	7.6
225.07857	26.4
235.40317	1.5
253.07288	2.0
257.06873	16.6
269.06848	5.4
284.09058	9.6
285.82330	1.6
286.07001	6.3
296.05524	17.5
297.06439	1.8
312.08652	13.1
328.08112	8.3
340.07916	6.0
342.09662	7.6
353.37012	1.8
356.07635	52.5
370.09180	48.8
392.35638	1.7
398.08798	39.9
416.09637	100.0
416.24603	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63452	0.4
56.82698	0.4
58.06607	2.2
60.90484	0.4
70.06617	0.4
99.04463	0.5
102.15897	0.4
110.06050	0.6
119.21191	0.5
124.07590	0.5
127.03938	0.8
152.84036	0.5
224.07039	5.7
225.07837	28.0
228.06551	0.9
253.07195	1.8
254.08102	2.0
257.06824	19.7
269.06851	3.9
278.10110	0.5
284.09167	9.9
286.07043	10.5
296.05524	17.6
297.06332	0.9
301.05911	1.9
312.08661	11.9
324.05084	0.8
328.08139	6.3
339.07642	1.8
340.08228	5.6
342.09729	7.2
356.07648	52.0
370.09207	45.3
398.08719	39.4
400.88449	0.6
416.09756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00163	1.3
70.06592	5.7
92.67641	1.5
93.87923	1.7
99.04482	2.3
112.07619	8.4
125.71000	1.6
138.34523	1.6
140.07050	2.6
192.10342	2.2
224.07042	28.9
225.07826	19.4
227.09404	3.4
239.09418	9.2
240.10188	6.1
253.07339	7.4
257.06860	12.3
268.09726	8.1
269.06927	6.8
284.09122	25.7
286.06833	2.2
298.07074	18.3
301.05972	2.5
308.05692	3.2
308.09055	2.5
312.08655	68.7
328.11844	11.3
340.08127	56.1
340.11859	3.7
356.07675	3.4
370.08981	2.8
372.10727	5.9
384.06683	11.4
416.09799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0974
Annotation	Anthrotainin
Peak:m/z	Relative Intensity
51.88575	0.9
63.56768	1.3
84.64680	1.3
86.14808	1.1
96.29301	1.0
104.32455	1.0
153.26064	1.2
167.54942	1.3
187.91422	1.4
191.03476	1.2
224.07021	8.9
225.07817	33.6
228.06403	1.8
253.07333	1.8
257.06836	19.7
266.45648	1.2
269.06802	5.7
284.09149	14.2
286.07120	8.3
296.05579	17.4
297.06454	1.7
301.05826	2.2
312.08694	16.0
324.05539	1.3
328.08157	5.8
340.08163	9.0
342.09790	7.8
356.07639	47.2
370.09161	40.8
370.13461	2.3
384.07037	1.9
398.08728	37.9
416.09750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0971
Annotation	Anthrotainin
Peak:m/z	Relative Intensity
58.06607	13.4
70.06579	0.8
98.75751	0.8
106.50761	0.7
123.14915	0.7
132.71185	0.9
162.19025	0.7
162.33073	0.8
174.57683	0.8
190.08679	1.0
191.09288	0.8
224.07014	4.6
225.07826	25.5
239.09445	0.8
254.07860	0.8
257.06830	20.1
269.06906	2.9
279.06464	3.8
284.09131	9.7
286.07144	11.9
296.05496	21.2
297.06345	1.1
301.05991	1.2
306.07388	1.0
307.08395	5.7
311.09045	1.7
312.08710	9.0
324.12689	0.9
325.05585	1.2
328.08176	7.5
329.10135	0.9
339.07382	2.9
340.08047	3.9
342.09711	6.6
356.07639	52.8
356.12039	1.8
370.09207	48.4
398.08740	41.7
409.50214	1.0
416.09662	100.0
416.17566	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	6.2
70.06614	0.9
135.11206	0.8
215.68486	0.9
224.06895	5.7
225.07813	20.1
228.06543	1.3
239.09416	1.0
253.07407	0.9
257.06802	25.7
268.09775	0.9
269.06790	1.0
279.06583	1.6
284.09128	7.8
286.07083	12.1
296.05521	19.3
297.06046	1.2
301.05890	3.3
307.08496	3.6
312.08612	10.7
328.08264	7.2
328.11670	1.0
339.06976	1.2
340.08215	5.9
342.09561	6.8
356.07629	54.8
356.12051	1.9
370.09225	48.4
398.08685	45.0
416.09720	100.0
416.16544	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35552	0.5
59.08417	0.5
111.89276	0.5
117.76076	0.6
169.05304	0.6
175.72667	0.6
179.97649	0.6
224.06958	4.4
225.07822	26.5
228.06438	1.0
253.07381	1.1
254.08092	2.2
257.06815	16.8
269.06830	3.5
284.09167	8.2
286.07095	10.3
291.09705	0.5
296.05539	17.0
297.06412	1.1
301.05640	1.2
308.08984	1.2
311.08032	0.7
312.08633	9.9
314.42792	0.6
324.04941	0.8
328.08121	6.1
339.07407	1.2
340.08133	5.7
340.11810	2.4
342.09656	6.6
356.07611	51.5
370.09189	42.1
398.08707	35.0
398.14212	0.8
400.63760	0.6
416.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84851	0.5
53.95536	0.5
55.05516	1.0
57.54826	0.5
63.85050	0.6
69.03454	0.8
73.90537	0.6
74.88675	0.5
79.05506	0.7
81.03426	0.5
81.07063	0.7
83.08620	1.1
93.07038	1.3
97.10149	2.7
98.06077	0.6
107.08553	0.9
113.90527	0.6
121.06455	2.5
125.09616	4.1
126.09972	1.0
135.27795	0.6
221.15450	0.6
223.96660	0.7
224.65759	0.7
278.94812	0.6
313.19858	0.6
316.18326	0.6
334.11035	0.8
342.07785	0.7
355.08453	1.0
358.07239	2.3
370.07126	4.0
372.08624	25.5
384.08743	9.9
384.13251	1.5
386.06558	19.1
387.07452	0.7
400.08115	55.7
401.08905	23.1
416.11252	100.0
416.23105	6.4
429.95636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29450	0.8
54.73490	0.9
77.16148	1.0
103.64397	1.1
109.10631	1.0
111.32604	1.0
155.98703	1.4
161.76355	1.1
213.07837	28.1
222.09166	1.3
237.07791	2.1
239.09352	1.6
246.35370	1.3
247.04012	1.2
250.08577	2.2
252.10129	5.7
265.07318	17.6
266.08118	5.2
277.07443	1.3
278.08240	1.7
279.08850	4.2
280.09668	100.0
281.10574	1.6
292.06125	5.0
293.06824	15.9
294.07498	1.8
295.25339	1.1
296.09082	2.1
308.09158	69.3
311.08005	2.2
312.12228	1.2
319.04752	2.2
323.07791	2.5
324.08557	4.8
325.09625	1.1
334.07071	11.4
336.08813	14.7
338.10172	29.2
340.11816	29.4
346.18387	1.3
347.91031	1.3
352.08160	4.9
366.05173	2.5
366.09702	62.4
366.14233	2.5
384.05862	1.9
384.10803	47.7
416.13492	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80398	0.5
55.87441	0.5
69.03419	0.7
74.46032	0.5
74.46462	0.5
86.06064	4.4
87.04477	2.6
98.06016	0.5
104.07103	3.1
105.07068	0.8
108.43600	0.6
112.07605	2.3
130.08662	2.6
150.06732	3.7
165.09109	30.7
179.03415	1.2
190.08585	1.0
191.07042	2.2
200.16391	1.2
208.09680	100.0
209.04448	35.9
273.18112	0.6
318.07657	0.8
319.08585	0.9
330.10327	1.0
334.10739	3.7
380.11212	0.7
398.12305	0.6
416.13751	4.6
416.29956	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16824	1.3
54.37217	1.4
69.03473	1.7
81.03432	3.4
81.20239	1.5
83.85863	1.4
84.01605	1.4
85.02889	2.4
89.79879	1.5
89.80608	1.6
97.30035	1.6
98.53326	1.5
99.04459	29.1
106.06193	1.7
107.04965	2.3
111.00907	1.6
117.05469	3.1
121.06493	1.7
121.20107	1.7
124.07572	2.7
149.08151	1.6
152.07092	20.3
161.15144	1.6
170.08121	3.7
213.07851	34.4
225.07829	3.7
250.08606	2.2
252.10248	2.2
257.06802	3.2
265.07352	13.9
266.08130	3.7
276.06558	2.3
277.07193	2.6
279.08987	2.9
280.09665	100.0
292.06021	7.0
293.06812	14.4
296.05600	2.8
296.11539	1.8
308.09140	64.9
312.08588	6.8
319.04581	2.8
323.07874	2.3
324.08298	4.9
334.07080	12.9
336.08698	12.5
338.10223	32.2
340.08206	3.3
340.11789	29.9
352.08243	2.9
356.07648	8.4
366.09702	61.4
370.09143	11.3
384.10757	47.8
398.08603	7.0
416.09607	22.4
416.13528	23.3
416.21518	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32783	1.0
63.84492	1.0
66.81949	1.1
74.09850	1.1
83.55791	1.0
92.21533	1.4
94.66754	1.2
97.76775	1.1
108.65969	1.2
116.68670	1.2
138.59995	1.1
213.07823	28.4
222.09065	1.4
236.33412	1.1
240.06432	1.2
250.08617	2.6
252.10147	4.9
265.07266	16.6
266.08151	4.7
276.06671	4.6
277.07300	1.6
278.08105	1.7
279.08786	4.6
280.09668	100.0
281.10193	2.0
284.89941	1.2
287.70129	1.2
292.06052	2.6
293.06793	16.5
294.07532	2.0
308.09122	72.1
311.07782	1.7
319.04739	2.8
323.07980	2.5
324.08661	6.2
334.07111	15.4
336.08643	12.0
338.10272	25.0
340.11761	27.6
352.07993	2.7
363.94705	1.3
366.09711	61.6
384.05887	1.6
384.10767	43.6
416.13416	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94546	0.3
53.03951	0.4
53.39890	0.3
58.06617	2.9
65.32435	0.4
69.03413	0.5
72.08151	0.5
81.03411	0.6
81.64913	0.4
99.04458	3.1
109.02890	0.5
110.06020	2.9
121.06564	0.4
125.12880	0.4
127.03942	0.5
138.05508	100.0
138.09108	4.2
156.06552	38.3
196.66850	0.4
201.35648	0.4
318.11810	0.4
380.12830	0.5
398.14545	2.1
416.15466	9.8
416.19733	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88770	0.8
54.48494	0.9
58.06609	84.6
69.03442	1.0
70.06597	1.8
72.08143	1.9
86.09704	4.1
93.59753	1.0
97.02844	1.3
99.04474	2.3
107.04964	2.1
114.45570	1.1
121.06522	15.3
130.05000	1.7
138.05513	13.9
143.11823	1.5
145.66304	1.0
148.84354	1.0
151.03922	2.3
152.07106	5.5
156.06573	4.5
164.07181	1.3
173.29623	1.1
180.10219	1.3
193.05017	1.6
194.08195	1.2
246.14682	1.1
265.08643	5.9
293.08148	13.8
296.10455	4.3
297.11072	1.3
309.07660	2.5
325.10773	4.2
335.08868	3.6
353.10214	11.3
354.35568	1.4
371.11121	10.9
373.12857	1.6
380.17548	1.2
398.17358	4.7
416.17078	100.0
432.13031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1701
Annotation	narcotinehemiacetal
Peak:m/z	Relative Intensity
50.88770	0.8
54.48494	0.9
58.06609	84.6
69.03442	1.0
70.06597	1.8
72.08143	1.9
86.09704	4.1
93.59753	1.0
97.02844	1.3
99.04474	2.3
107.04964	2.1
114.45570	1.1
121.06522	15.3
130.05000	1.7
138.05513	13.9
143.11823	1.5
145.66304	1.0
148.84354	1.0
151.03922	2.3
152.07106	5.5
156.06573	4.5
164.07181	1.3
173.29623	1.1
180.10219	1.3
193.05017	1.6
194.08195	1.2
246.14682	1.1
265.08643	5.9
293.08148	13.8
296.10455	4.3
297.11072	1.3
309.07660	2.5
325.10773	4.2
335.08868	3.6
353.10214	11.3
354.35568	1.4
371.11121	10.9
373.12857	1.6
380.17548	1.2
398.17358	4.7
416.17078	100.0
432.13031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09539	1.5
55.12679	1.1
58.06594	13.9
60.08170	20.2
65.52951	1.3
70.06617	1.7
73.08951	2.6
73.73453	1.6
84.52548	1.5
88.03954	1.4
90.86771	1.2
98.06049	1.8
102.09193	16.9
115.03305	5.4
118.08655	27.8
121.06511	2.5
125.01671	2.5
129.01167	2.0
138.02394	1.6
143.02751	85.3
168.05910	6.9
169.06668	25.8
183.08269	21.8
184.09047	23.0
192.10226	2.0
201.09305	85.0
202.10065	24.1
234.99142	2.5
235.99432	2.6
254.08018	2.0
256.09625	2.6
339.16125	2.6
354.18481	38.7
370.02679	1.6
371.12314	1.8
372.19525	100.0
416.03537	1.6
416.18338	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55369	0.4
57.22425	0.4
58.17604	0.4
73.01144	0.4
77.46095	0.5
79.00085	0.4
85.02905	1.9
86.42283	0.4
89.26668	0.4
91.05492	0.8
91.19892	0.4
93.07053	1.5
99.04478	0.7
103.05524	0.9
104.17906	0.4
108.06233	0.5
116.07097	0.6
121.06502	100.0
127.03941	0.6
134.08170	0.5
138.09143	26.8
150.09134	4.2
154.04977	4.1
180.10243	0.4
194.05591	0.5
218.11961	0.5
236.12848	1.6
254.13828	4.6
339.10458	0.5
345.02426	0.4
398.18097	2.4
416.19305	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50560	0.3
81.87940	0.3
86.59017	0.3
91.29285	0.3
93.07050	1.2
103.05431	0.6
115.91439	0.3
121.06506	100.0
138.09143	30.1
138.10234	0.7
152.05669	5.1
161.18204	0.3
171.71965	0.3
176.36984	0.3
191.41637	0.3
194.09976	0.3
214.02562	0.4
355.36972	0.3
416.10397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61416	0.3
56.22388	0.3
63.82402	0.4
71.02235	0.4
86.68406	0.4
91.05467	0.6
93.07037	1.5
103.05493	0.8
121.06501	100.0
138.09138	32.9
138.10237	0.9
200.64633	0.4
416.18967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01882	0.7
57.03434	1.9
61.02937	4.2
69.03437	7.4
69.07069	8.2
70.72036	0.5
71.04987	0.9
71.58790	0.5
71.64063	0.5
73.02924	0.8
73.06541	1.1
79.05517	0.6
81.03421	3.3
83.92995	0.4
85.02911	34.5
86.22327	0.4
87.04473	0.6
91.03939	2.1
97.02893	9.6
99.04433	2.4
102.30560	0.5
103.19193	0.4
104.45766	0.6
107.04971	0.6
109.02879	3.8
110.51592	0.4
112.77328	0.5
121.06412	0.6
123.04426	34.7
125.05973	3.4
127.03914	7.0
135.04411	11.8
145.04976	5.2
145.10085	2.6
147.04424	0.6
149.05984	4.0
151.03889	12.3
153.05464	66.6
161.05971	3.3
161.09604	2.4
163.03877	18.2
165.05458	5.5
169.04956	28.7
171.06511	0.8
173.06017	1.1
173.09604	6.2
177.05379	3.7
179.07101	4.5
180.08688	4.3
181.04947	46.9
189.09195	0.6
191.10670	100.0
201.09106	4.4
203.06885	0.5
203.10664	2.4
208.07455	0.7
219.10155	45.2
230.66725	0.5
231.10382	0.7
236.07156	2.2
237.11201	47.9
249.10948	0.7
254.13829	2.7
284.33487	0.5
309.51892	0.6
416.10898	1.1
416.14587	1.0
416.19321	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.9
67.05510	8.0
69.07072	100.0
71.04988	7.1
72.44508	5.6
77.62126	4.4
81.07055	28.8
83.08620	29.6
83.97601	4.2
84.66618	4.9
85.06544	6.4
85.85970	5.4
87.08099	34.8
90.13705	4.4
93.07053	10.2
95.08604	30.4
97.06515	11.0
97.10184	21.7
99.04472	7.5
99.08090	9.5
107.08588	11.9
109.10161	7.8
111.08091	10.2
111.67099	4.7
119.08573	11.2
120.08890	9.3
121.06533	9.5
121.10178	11.1
123.11710	18.4
129.09117	19.0
133.10121	6.1
135.11731	7.0
141.12747	24.6
147.10175	23.4
149.13281	45.9
157.08629	46.8
159.11684	9.0
167.14212	7.7
169.12236	30.6
171.10229	6.2
172.99663	5.4
189.16412	5.2
193.39410	6.0
195.13861	6.9
201.14915	6.7
231.15909	23.7
243.11118	5.1
243.19501	18.3
267.19565	51.1
285.20511	8.6
345.23941	7.4
353.27005	47.3
363.25314	8.8
381.26477	44.5
399.27213	37.0
416.21805	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76380	2.9
67.05511	25.5
68.74412	2.9
69.07088	22.4
70.76105	3.1
71.05015	7.8
71.08633	66.9
73.40430	3.2
81.07063	56.6
82.60858	3.0
83.08602	12.5
85.06557	33.5
88.66518	2.9
90.62165	2.9
93.06997	3.1
95.08610	53.9
97.06506	3.5
99.08090	100.0
105.07053	6.0
107.08623	4.3
111.08096	4.3
117.94698	3.2
119.08556	7.3
120.08883	7.3
123.11681	7.2
138.01965	3.0
147.11665	33.7
149.13219	4.1
165.12743	21.9
171.13821	38.7
183.13896	28.7
201.14861	81.8
202.84775	3.3
231.15817	13.7
265.18024	13.9
267.19724	4.1
327.21680	39.4
334.16766	4.2
353.26663	27.8
381.26245	13.9
399.27194	6.0
416.22852	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08180	0.3
50.42060	0.2
55.05506	1.6
57.07080	0.5
58.15481	0.3
61.17941	0.3
67.05517	2.4
69.07071	3.0
79.05491	0.9
81.07073	2.8
81.62872	0.3
83.08604	1.9
88.68708	0.3
93.07011	1.4
95.08617	3.5
97.10152	0.7
102.78960	0.4
106.06548	1.5
107.04954	7.1
107.08584	0.6
109.10137	0.8
111.26126	0.3
119.08574	2.1
120.08893	0.7
121.10158	2.0
122.06852	0.4
132.30452	0.3
134.05978	2.0
135.04411	16.8
135.11687	0.7
150.58543	0.3
152.07063	100.0
169.29810	0.4
399.26877	0.5
416.31613	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3156
Annotation	Myxalamid A
Peak:m/z	Relative Intensity
57.07098	0.8
64.06239	0.7
67.05505	4.2
69.07068	1.2
79.05483	1.2
81.07065	5.2
83.08633	1.0
91.05469	5.8
93.07043	1.0
95.08603	5.0
97.10224	1.3
102.58190	0.7
104.10681	0.7
109.10143	1.5
119.04935	1.4
119.08590	3.5
120.08915	1.2
126.51394	0.6
128.03757	0.6
137.05983	100.0
137.72287	0.7
154.08636	22.5
223.93465	0.7
252.47679	0.7
256.26474	1.0
310.12009	0.7
371.44949	0.7
373.54828	0.6
416.31653	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3368
Annotation	3-hydroxypalmitoylcarnitine
Peak:m/z	Relative Intensity
55.05516	7.3
56.05042	7.8
57.07080	7.6
60.04532	100.0
67.05511	15.8
67.14566	1.6
69.07072	8.4
69.75014	1.4
70.06582	2.4
71.08634	2.5
72.04518	6.4
73.06535	2.0
74.06091	6.2
77.19743	1.4
79.05482	3.7
81.03406	2.1
81.07063	17.5
82.06593	2.5
82.83121	1.5
83.08629	8.3
86.06073	2.2
90.05559	3.8
91.05473	6.9
93.07053	6.8
94.06589	3.2
95.04933	2.2
95.08596	18.0
96.08182	1.9
97.10163	3.3
98.06020	1.5
105.07034	2.3
105.74104	1.8
107.08595	8.8
109.10143	9.5
117.25387	1.9
118.08649	9.2
119.08573	18.5
120.08964	3.4
121.10134	9.5
127.07533	1.9
133.10150	3.7
135.11713	2.8
137.09593	2.5
137.61618	1.5
147.11703	2.1
147.69629	1.6
160.09659	1.8
171.10201	3.2
194.60498	1.7
201.24857	1.6
250.25377	2.3
262.25314	39.6
263.23651	2.3
268.26358	2.3
271.34335	1.8
280.26379	28.8
298.27390	7.9
380.31659	11.3
398.32648	96.6
416.33981	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02723	0.7
51.49454	0.8
55.05502	4.9
55.57940	0.7
56.05040	1.0
57.07065	3.8
60.04530	7.7
61.52766	0.8
67.05492	3.2
67.64991	0.7
68.40221	0.8
69.07058	5.3
72.08159	25.9
77.16972	1.0
81.07056	6.1
82.06603	1.2
83.08601	3.7
84.08144	9.3
86.09700	13.2
91.05482	1.5
91.91149	0.8
92.20981	0.9
93.07043	1.8
95.08602	7.8
96.08125	1.2
98.09669	1.0
102.09180	5.3
107.08591	1.6
109.10172	1.5
110.09678	2.1
114.09163	55.4
114.55457	0.9
116.10735	25.6
118.08669	4.2
119.08578	10.1
120.08918	4.4
128.10689	3.6
130.08609	4.8
132.10196	10.0
135.58209	1.0
144.10219	1.7
160.09679	27.5
290.89838	0.9
322.31104	1.3
334.31027	4.4
343.57605	0.9
352.15143	3.7
352.32101	5.4
370.16315	1.4
370.33170	4.4
398.32605	5.0
416.33679	100.0
431.81644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3367
Annotation	3-hydroxypalmitoylcarnitine
Peak:m/z	Relative Intensity
50.04490	0.9
50.80616	0.9
55.05502	2.6
56.05038	1.2
57.07077	2.2
59.47865	1.1
59.51422	1.2
60.04514	7.1
67.05499	5.5
67.26996	1.1
69.07056	3.2
70.68042	1.1
72.08161	22.5
79.05495	2.1
81.07056	6.4
82.06591	1.3
83.08640	1.8
84.08134	6.6
86.09708	11.8
88.03952	1.4
88.07645	3.1
89.06031	6.4
93.07057	1.9
95.08604	8.0
96.08121	1.9
102.09177	6.1
107.08635	1.4
109.10144	2.3
114.09158	51.7
116.10726	24.1
118.08636	2.0
119.08582	29.3
120.08892	16.4
121.10158	2.0
124.01573	1.4
128.10738	2.8
132.10233	5.4
144.10162	1.4
150.13618	1.7
160.09691	26.3
187.09625	5.7
249.42747	1.4
256.26328	7.5
262.22415	3.1
270.24203	2.0
280.26331	1.6
315.16376	1.9
316.16843	2.5
319.28391	7.8
333.17404	2.6
334.17737	8.4
334.31097	2.0
351.18625	2.0
352.18661	6.7
352.32001	5.7
360.06006	1.5
370.33356	2.3
393.19214	1.8
398.33093	3.5
416.21405	2.6
416.33682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3348
Annotation	3-hydroxypalmitoylcarnitine
Peak:m/z	Relative Intensity
55.05499	3.1
57.03434	0.6
57.07064	3.9
60.04517	8.3
67.05496	4.0
69.07058	2.7
70.06570	0.5
70.35013	0.5
72.08141	25.3
79.05445	0.7
81.07053	5.7
82.06563	0.8
83.08600	3.0
84.08131	9.3
86.09690	12.6
93.07027	3.1
95.08569	6.7
96.08121	0.8
97.10133	1.1
98.09672	1.0
100.11234	2.2
102.09170	4.4
107.08569	0.8
109.10146	0.9
110.09673	2.2
114.09142	55.9
116.10699	26.4
118.08635	2.6
119.08552	1.3
121.10138	2.4
123.11705	0.6
128.10678	3.7
130.08606	2.6
132.10181	9.8
135.11658	0.8
144.10143	1.3
160.09645	25.0
160.58781	0.6
172.13295	0.9
213.08778	0.6
280.26193	0.8
290.16098	0.6
290.24124	0.7
304.29962	2.3
310.64291	0.6
322.31049	1.1
334.30859	1.3
352.32092	5.2
370.33182	4.6
398.32794	5.8
416.33591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04490	0.9
50.80616	0.9
55.05502	2.6
56.05038	1.2
57.07077	2.2
59.47865	1.1
59.51422	1.2
60.04514	7.1
67.05499	5.5
67.26996	1.1
69.07056	3.2
70.68042	1.1
72.08161	22.5
79.05495	2.1
81.07056	6.4
82.06591	1.3
83.08640	1.8
84.08134	6.6
86.09708	11.8
88.03952	1.4
88.07645	3.1
89.06031	6.4
93.07057	1.9
95.08604	8.0
96.08121	1.9
102.09177	6.1
107.08635	1.4
109.10144	2.3
114.09158	51.7
116.10726	24.1
118.08636	2.0
119.08582	29.3
120.08892	16.4
121.10158	2.0
124.01573	1.4
128.10738	2.8
132.10233	5.4
144.10162	1.4
150.13618	1.7
160.09691	26.3
187.09625	5.7
249.42747	1.4
256.26328	7.5
262.22415	3.1
270.24203	2.0
280.26331	1.6
315.16376	1.9
316.16843	2.5
319.28391	7.8
333.17404	2.6
334.17737	8.4
334.31097	2.0
351.18625	2.0
352.18661	6.7
352.32001	5.7
360.06006	1.5
370.33356	2.3
393.19214	1.8
398.33093	3.5
416.21405	2.6
416.33682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82058	1.7
53.97220	1.8
56.68823	1.8
62.35142	2.4
64.07328	1.9
79.69463	2.5
80.25174	2.1
98.97590	34.0
116.98617	22.5
134.99629	4.3
182.99002	2.3
202.17401	2.4
202.77628	2.3
213.00093	20.6
219.01984	4.8
232.96399	3.0
243.02101	4.9
244.02098	4.2
251.02457	3.3
252.02472	3.5
254.04126	4.0
256.96393	27.6
258.99963	4.5
261.03116	4.7
262.03159	12.3
269.03574	46.3
270.03705	100.0
274.97504	87.9
277.00510	2.9
287.04550	13.8
288.04620	30.1
289.39981	2.6
292.98569	73.8
298.03357	4.9
301.01648	62.3
301.04712	4.3
318.02109	2.4
333.05209	22.8
334.05328	48.6
351.06061	4.2
352.06302	11.4
357.04257	44.3
358.05310	4.9
375.06165	36.0
376.06418	99.5
394.07367	10.1
398.97610	14.3
416.98599	32.0
434.99570	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20297	0.9
83.78013	0.9
105.07049	1.2
107.04929	1.5
130.17149	0.8
131.04948	1.7
145.06480	1.2
167.07039	25.3
171.06601	1.1
171.57819	0.9
173.05968	7.3
181.04921	13.5
191.07037	7.0
245.72485	1.2
301.07166	6.4
329.06802	53.9
330.07706	1.5
334.14777	0.9
341.07217	1.0
344.05554	18.8
356.05438	9.6
358.07101	25.1
358.11212	1.0
359.06723	1.9
370.03394	8.9
373.08154	3.7
384.05161	1.9
385.05722	25.3
387.06235	12.4
389.96246	1.2
399.14346	1.1
400.08133	19.6
402.08365	1.2
417.10742	100.0
417.15421	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1157
Annotation	Trovafloxacin
Peak:m/z	Relative Intensity
53.19001	1.5
69.41653	1.6
70.17144	1.4
72.98122	1.5
90.69547	1.8
99.04439	1.5
121.06519	3.4
181.52039	1.7
381.16687	2.7
399.17786	2.1
417.11514	100.0
417.18027	3.2
417.19229	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81850	0.8
58.12020	0.8
60.62646	1.0
66.00727	0.9
68.92706	1.0
69.03432	4.7
70.06593	1.9
72.08151	1.3
72.80228	1.0
80.05034	1.5
81.03432	1.9
82.06588	2.0
84.08150	4.2
85.02906	7.5
86.09689	1.3
94.06560	2.4
96.08128	1.5
99.04453	4.6
101.05997	1.1
104.10751	1.2
106.06499	1.1
108.04471	1.5
111.04465	1.8
118.43555	1.0
120.08093	6.6
122.06023	1.3
123.03283	1.1
127.03931	1.2
134.09677	4.1
146.09637	4.8
147.10428	5.0
148.11209	100.0
160.11226	1.6
162.09172	1.8
164.10663	2.1
171.71883	1.1
173.10802	1.4
174.09050	1.3
175.12273	11.2
176.10709	19.4
190.08397	1.1
191.11722	1.3
221.37248	0.9
237.12239	1.9
253.13278	1.3
315.13425	7.4
317.15036	1.4
318.98099	1.0
333.14413	8.8
345.14618	8.6
353.17114	1.2
363.15567	17.8
381.16602	26.0
399.12659	1.9
399.17618	24.3
417.13385	13.0
417.18674	7.1
417.23547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72141	1.0
50.93898	1.0
55.05511	6.9
57.03437	4.7
57.07073	5.4
57.78128	0.8
67.05510	40.2
69.07079	10.6
71.08643	2.1
79.05488	10.1
81.07061	55.3
81.07539	2.0
83.08623	9.7
83.72802	1.2
91.05480	6.4
93.07027	11.7
95.04951	2.0
95.08601	51.5
97.06570	4.0
97.10162	2.6
98.98463	68.5
99.08030	1.3
105.07047	6.6
107.08578	11.5
109.10157	29.8
111.08089	2.1
113.09653	1.2
119.08595	9.1
121.10128	10.8
123.08066	1.8
123.11709	12.8
133.10150	8.8
135.11687	7.4
136.87617	1.0
137.09613	1.2
137.13284	8.1
147.11702	5.8
149.13261	8.6
151.14806	5.3
155.01041	100.0
161.13293	5.2
163.14827	2.6
165.16356	1.7
175.14841	4.7
189.16287	1.4
243.38087	1.4
245.22624	23.8
263.23685	68.4
307.47336	1.3
405.71182	1.3
417.24136	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32859	2.0
55.05524	3.7
57.03448	2.3
57.07081	8.6
67.05501	36.6
69.07063	10.7
70.56249	2.3
75.24772	2.2
75.78702	2.2
79.05470	9.4
81.06617	2.9
81.07061	55.6
82.42172	2.3
83.08605	5.3
85.06493	2.2
91.05456	4.1
93.07039	15.6
95.08604	45.1
97.06503	2.3
97.10191	3.4
98.98463	63.9
99.08037	2.4
105.07035	2.2
107.08575	13.8
109.10162	27.4
111.08043	2.6
116.33466	2.2
119.08577	4.4
121.10126	12.0
123.11696	12.4
133.10109	9.0
134.16263	2.4
135.11694	2.8
137.13202	8.5
147.11697	4.0
149.13242	10.0
151.14774	2.6
155.01030	100.0
161.13240	3.1
163.14813	3.1
165.16335	4.1
189.16368	2.5
213.37593	2.6
245.22603	23.8
263.23669	80.9
263.26447	3.1
390.88492	2.2
417.24045	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59678	1.5
55.05499	2.5
57.03434	3.6
57.07072	2.6
58.76847	1.3
62.80214	1.4
63.33030	1.5
67.05511	39.6
69.07059	8.6
76.83546	1.9
79.05492	7.7
81.07065	56.8
83.08617	12.0
90.86892	1.9
91.05476	4.1
92.20888	1.7
93.07053	12.7
95.04959	2.3
95.08609	60.0
97.06535	3.0
97.10162	4.4
98.98467	61.8
105.07029	4.3
107.08610	9.5
109.10163	31.2
110.17626	1.6
111.08088	2.8
116.07110	7.6
119.08598	8.2
121.10154	13.2
123.11708	16.2
125.09649	2.1
133.10121	6.9
135.11702	7.6
137.13243	7.9
147.11682	7.1
149.13300	4.0
151.14847	7.0
155.01035	100.0
161.13269	4.5
163.14795	1.9
165.16389	4.1
175.14804	2.6
189.16508	2.1
245.22578	22.0
263.23651	58.3
417.24142	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.03435	6.6
57.07079	6.2
57.42643	1.4
64.00809	1.4
67.05179	2.5
67.05510	46.4
68.39960	1.3
69.07068	9.5
71.08628	2.5
78.27793	1.3
79.05501	12.7
81.06613	2.9
81.07064	58.6
83.04967	1.6
83.08609	8.2
91.05473	7.7
93.07047	14.5
95.08611	62.8
97.10178	3.2
98.98468	77.3
100.32820	1.5
105.07040	8.1
107.08611	13.2
109.10159	32.4
119.08558	6.5
121.10195	13.3
123.11715	18.1
133.10141	8.0
135.11710	6.2
136.19547	1.6
137.13251	3.0
147.11696	7.4
149.13263	8.3
151.11319	1.3
151.14822	6.5
155.01045	100.0
161.13181	3.1
163.14796	2.3
165.16360	2.8
175.14838	3.1
177.16339	1.4
189.16307	1.7
244.56743	2.0
245.22623	27.1
263.21069	3.0
263.23691	61.3
417.24097	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06239	1.2
51.13234	1.3
53.75073	1.3
55.05518	7.1
57.03433	4.0
57.07073	3.7
59.77628	1.3
60.61738	1.3
67.05177	2.6
67.05512	39.4
67.05850	3.1
69.07064	10.4
70.52045	1.6
71.08628	2.6
73.52474	1.3
79.05491	12.0
79.19017	1.3
81.03449	2.3
81.06619	3.2
81.07064	57.4
83.08624	10.6
85.10214	1.5
91.05484	10.0
93.07046	17.9
93.86899	1.9
95.08602	54.1
97.06519	3.9
97.10159	10.3
98.98475	64.6
105.07018	7.1
107.08593	11.0
109.06481	1.6
109.10162	27.6
111.08060	1.7
119.08582	9.3
121.10139	13.3
123.11703	12.6
133.10144	10.6
135.11662	2.7
147.11662	9.1
149.13269	2.6
151.14764	2.4
154.08621	6.1
155.01042	100.0
155.07047	3.3
160.39713	1.5
160.41071	1.5
161.13342	2.9
163.14882	2.5
165.16377	2.6
172.09647	1.9
173.24911	1.7
174.50807	1.5
175.14903	2.2
189.16408	1.8
201.54315	1.8
202.20587	1.8
238.19348	1.8
245.22670	21.4
263.23700	64.5
417.24332	2.3
417.32538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52894	1.2
55.05518	5.5
57.03442	5.3
57.07075	2.3
67.05509	35.7
69.07078	11.7
71.08635	2.3
79.05498	10.9
81.07063	47.4
83.08617	9.6
91.05485	8.4
93.07031	9.7
95.08605	52.8
97.06491	1.9
97.10156	3.1
98.98468	55.7
99.08118	1.7
100.37111	1.2
102.23245	1.3
105.07040	2.8
107.08575	11.3
109.10162	26.0
110.85345	1.4
119.08571	6.8
121.10122	13.2
123.11688	11.6
133.10092	11.5
135.11684	5.9
137.09630	1.6
137.13222	5.2
145.46982	1.3
147.11697	5.8
149.13214	2.5
151.14832	5.8
151.99380	1.3
154.29054	1.4
155.01031	100.0
161.13246	6.8
163.14844	2.4
175.14810	3.3
189.16325	1.9
245.22629	23.7
263.23672	55.4
408.20120	1.6
417.23965	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
64.75369	0.9
67.05485	5.0
69.07069	1.1
79.05482	1.8
81.07021	6.0
88.43693	1.2
91.05426	1.7
93.07015	4.7
95.04951	1.3
95.08598	12.1
98.98422	2.4
99.08054	1.6
102.80527	1.1
105.06998	4.4
107.08561	5.3
109.06474	4.4
109.10104	2.1
119.08511	7.6
121.10148	3.7
123.07990	2.5
131.08522	2.8
133.10059	5.6
135.08026	2.0
135.11688	1.3
141.09059	1.4
145.10075	1.6
147.11662	2.5
149.09499	1.6
155.00983	2.8
161.13232	2.3
163.11066	2.2
195.11652	1.7
219.17390	11.2
259.20453	2.2
263.23553	2.2
277.21176	1.3
335.18784	4.4
353.20099	9.8
359.07242	2.3
362.22980	1.3
387.10138	1.3
399.24979	18.2
417.14667	6.3
417.25748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17245	3.0
50.77446	3.6
59.94985	3.0
62.87616	2.9
67.05502	6.1
69.07070	13.3
79.05508	4.1
79.54635	3.9
81.07058	8.4
83.08634	4.2
91.05475	14.9
93.07053	21.4
95.08633	15.2
105.07002	13.9
107.08593	25.7
109.06509	25.8
109.10176	8.5
119.08578	29.5
121.06503	22.8
121.10127	36.3
123.08084	5.1
123.11707	4.4
129.06998	4.7
131.08592	19.3
133.10106	28.4
135.08055	9.1
135.11710	19.3
143.08545	7.8
143.34225	3.8
145.10146	21.4
147.08029	5.9
147.11707	15.4
149.09674	5.2
155.08592	5.1
157.10118	17.1
159.08069	4.2
159.11687	5.3
161.09576	5.4
169.10107	8.7
171.11588	7.3
173.09636	8.9
173.13210	14.8
175.11221	4.1
178.14784	3.7
179.10638	6.3
181.10109	15.4
183.11729	4.1
185.13251	4.2
187.14786	5.9
195.11761	17.5
197.09579	4.1
197.13350	4.9
207.11639	5.7
209.13298	8.8
211.11469	5.3
211.14905	13.3
213.16359	6.1
221.05495	3.8
227.14291	4.1
235.14948	5.9
237.12740	5.6
259.14981	5.1
295.17029	3.5
321.22284	3.5
335.17133	4.1
353.19043	4.9
359.23816	6.7
399.26740	6.9
417.27808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2785
Annotation	Machillene
Peak:m/z	Relative Intensity
50.24497	2.5
55.05529	4.8
66.10212	2.9
67.05502	12.7
69.07061	18.4
77.13757	3.1
78.83511	2.7
79.05489	3.6
81.07066	21.1
91.05463	12.8
92.38886	3.0
93.07031	22.3
95.04968	3.3
95.08608	17.7
105.07028	19.0
107.08610	28.8
109.06516	36.4
109.10156	14.6
117.07005	3.2
119.08563	43.0
121.10143	30.2
123.08085	6.0
129.06889	2.7
131.08562	19.9
133.10114	47.0
135.08076	5.3
135.11751	22.7
137.13290	3.2
142.07797	4.8
143.08562	20.5
145.10135	16.8
147.08086	5.6
147.11690	13.5
155.01006	3.4
155.08566	6.0
157.10072	21.9
159.08020	5.5
159.11745	5.9
161.09586	11.7
161.13313	4.4
169.10149	14.0
171.11694	13.7
173.09630	7.4
173.13223	16.4
175.11122	5.9
175.14841	6.1
181.10130	7.0
183.11690	12.6
185.09492	4.3
185.13214	6.7
187.11201	5.3
187.14864	14.0
193.10138	4.8
195.11674	17.5
197.13228	6.6
199.11137	12.3
199.14886	4.6
203.10655	5.2
207.11693	6.3
209.13298	11.5
211.11169	5.6
211.14771	5.6
213.12729	4.8
213.16344	6.5
217.12131	3.1
221.13199	5.2
233.13287	12.1
234.13995	4.4
235.14778	12.4
237.12903	4.7
238.10490	3.1
253.15852	6.0
263.17828	3.3
264.53577	3.1
279.17535	4.0
281.18915	7.6
295.16885	4.0
301.19586	4.2
341.22638	3.4
359.23819	5.0
375.26910	5.5
399.26831	16.1
407.56198	3.1
417.27991	100.0
437.22278	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09970	0.5
67.05505	1.3
68.99136	0.6
76.83977	0.6
79.05527	0.6
81.07048	1.2
95.08595	2.8
98.98421	2.9
109.10123	0.8
111.04459	0.7
145.44672	0.7
154.08635	7.6
155.01091	4.5
155.07037	8.4
160.01430	0.7
172.09628	5.4
174.11751	0.7
245.22662	0.7
263.23740	2.7
334.29422	1.1
417.30780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
55.08112	0.9
56.86716	0.8
59.35601	0.7
59.53900	0.8
67.05509	1.9
70.22711	0.8
73.05586	0.9
73.27475	0.9
80.94454	0.9
81.07081	2.1
82.06579	1.5
83.04987	5.8
86.06062	1.5
88.07629	2.1
92.72263	0.9
93.07044	1.5
95.08599	2.0
98.98463	3.7
100.07603	1.4
104.07127	1.6
109.10184	1.3
110.06064	2.3
111.04447	14.7
113.05980	1.2
118.15644	1.0
119.08521	1.3
125.09618	1.2
127.07552	4.2
128.07091	5.0
154.08629	99.8
155.01031	5.8
155.07030	100.0
172.09680	54.4
238.61845	0.9
242.24797	4.3
263.23672	3.6
297.95074	0.9
362.05197	1.0
369.30765	1.6
417.33435	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74348	0.5
70.12962	0.5
75.39651	0.5
75.98353	0.5
83.04794	0.5
85.90204	0.6
135.91989	0.6
150.89957	0.6
154.90150	0.5
171.01935	0.6
180.75497	0.6
238.27219	0.6
254.08583	0.8
292.09598	5.4
308.09164	100.0
318.07861	1.0
320.09174	56.2
336.11877	0.7
342.10025	2.6
358.09601	1.1
366.37656	0.6
373.11707	3.2
382.94727	0.7
391.26486	0.7
401.11346	5.9
418.05997	7.2
418.13461	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23371	3.1
68.68297	2.9
81.07073	3.1
81.13406	3.2
91.10639	3.4
92.21513	6.4
96.16652	3.5
104.24297	3.4
109.53204	2.9
125.50555	3.5
136.96788	3.2
144.93666	3.5
200.50104	3.3
301.69928	3.8
307.40656	3.7
314.09177	3.4
320.09143	17.8
377.10892	4.3
383.24319	4.7
400.08130	11.8
418.08582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
124.40637	0.9
125.27707	0.8
156.18735	0.8
225.45453	0.9
277.60947	1.0
301.07248	3.3
320.09186	1.9
329.06808	32.1
344.05511	9.4
354.22836	1.0
356.05371	4.2
357.06293	12.8
378.68509	1.1
384.05029	1.5
385.05960	1.7
400.08124	97.7
418.09195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94487	0.8
64.53643	0.8
71.26976	1.0
80.72932	0.8
129.38202	1.0
174.91777	1.0
189.64867	1.0
301.07297	4.9
320.09146	2.1
329.06805	46.0
330.07663	8.5
331.08319	1.1
334.10547	2.0
344.05524	18.5
356.05371	1.4
358.07092	46.8
359.07880	5.0
360.04910	3.9
374.06467	8.4
385.05722	5.1
388.04584	11.6
402.05869	1.6
403.06943	1.7
418.09134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09189	0.8
59.78188	0.7
62.83593	0.9
87.98844	1.1
89.06026	1.4
107.06152	0.9
121.06478	1.5
226.08507	4.1
227.09364	21.7
229.10857	6.4
240.10132	1.9
252.10106	8.3
259.08368	19.8
266.08051	1.3
267.12506	3.5
268.09647	3.7
271.08249	5.8
280.09628	1.8
282.11072	2.0
283.11996	1.4
286.10803	6.6
286.13818	1.4
288.08664	10.4
296.12762	1.8
298.07101	21.5
298.14349	38.2
299.07632	4.3
303.07181	1.4
309.09833	1.4
314.10321	6.9
324.12271	2.1
327.07236	1.4
330.09784	6.6
337.09476	7.4
340.07962	1.7
340.11771	6.7
341.08783	1.1
342.09381	4.7
342.13174	10.4
343.06778	1.8
344.11151	4.1
357.08337	6.7
358.09189	53.2
358.13593	2.2
368.11237	12.7
372.10742	44.4
374.15738	1.4
385.07449	1.5
386.12323	13.0
400.10272	41.8
418.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	5.4
70.06599	3.2
84.49842	2.3
85.02856	3.1
86.09708	4.1
86.82402	2.2
99.04478	3.0
110.81729	1.8
112.08810	2.0
127.70865	2.0
130.54564	1.8
141.48853	2.2
165.05594	2.9
198.64464	1.9
213.82890	2.4
224.07152	2.4
226.08583	28.8
227.09387	13.9
234.20291	2.1
241.10970	3.1
255.08833	15.2
259.08282	20.1
266.08096	8.3
270.07129	2.6
270.11221	4.4
271.08356	9.5
272.09219	2.5
282.07468	2.9
284.08981	2.2
286.10870	22.8
288.08652	2.3
298.10587	2.5
299.07895	15.0
300.08548	20.0
308.09058	4.1
310.07214	9.0
312.08792	4.6
314.10220	70.9
314.13852	3.5
315.10840	4.2
327.07245	11.9
340.08151	6.8
340.11832	22.3
342.09592	45.1
344.11234	8.4
358.08969	3.3
372.10989	3.5
374.12234	4.8
384.69873	2.8
386.08554	9.5
418.10693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09189	0.8
59.78188	0.7
62.83593	0.9
87.98844	1.1
89.06026	1.4
107.06152	0.9
121.06478	1.5
226.08507	4.1
227.09364	21.7
229.10857	6.4
240.10132	1.9
252.10106	8.3
259.08368	19.8
266.08051	1.3
267.12506	3.5
268.09647	3.7
271.08249	5.8
280.09628	1.8
282.11072	2.0
283.11996	1.4
286.10803	6.6
286.13818	1.4
288.08664	10.4
296.12762	1.8
298.07101	21.5
298.14349	38.2
299.07632	4.3
303.07181	1.4
309.09833	1.4
314.10321	6.9
324.12271	2.1
327.07236	1.4
330.09784	6.6
337.09476	7.4
340.07962	1.7
340.11771	6.7
341.08783	1.1
342.09381	4.7
342.13174	10.4
343.06778	1.8
344.11151	4.1
357.08337	6.7
358.09189	53.2
358.13593	2.2
368.11237	12.7
372.10742	44.4
374.15738	1.4
385.07449	1.5
386.12323	13.0
400.10272	41.8
418.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09189	0.8
59.78188	0.7
62.83593	0.9
87.98844	1.1
89.06026	1.4
107.06152	0.9
121.06478	1.5
226.08507	4.1
227.09364	21.7
229.10857	6.4
240.10132	1.9
252.10106	8.3
259.08368	19.8
266.08051	1.3
267.12506	3.5
268.09647	3.7
271.08249	5.8
280.09628	1.8
282.11072	2.0
283.11996	1.4
286.10803	6.6
286.13818	1.4
288.08664	10.4
296.12762	1.8
298.07101	21.5
298.14349	38.2
299.07632	4.3
303.07181	1.4
309.09833	1.4
314.10321	6.9
324.12271	2.1
327.07236	1.4
330.09784	6.6
337.09476	7.4
340.07962	1.7
340.11771	6.7
341.08783	1.1
342.09381	4.7
342.13174	10.4
343.06778	1.8
344.11151	4.1
357.08337	6.7
358.09189	53.2
358.13593	2.2
368.11237	12.7
372.10742	44.4
374.15738	1.4
385.07449	1.5
386.12323	13.0
400.10272	41.8
418.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09189	0.8
59.78188	0.7
62.83593	0.9
87.98844	1.1
89.06026	1.4
107.06152	0.9
121.06478	1.5
226.08507	4.1
227.09364	21.7
229.10857	6.4
240.10132	1.9
252.10106	8.3
259.08368	19.8
266.08051	1.3
267.12506	3.5
268.09647	3.7
271.08249	5.8
280.09628	1.8
282.11072	2.0
283.11996	1.4
286.10803	6.6
286.13818	1.4
288.08664	10.4
296.12762	1.8
298.07101	21.5
298.14349	38.2
299.07632	4.3
303.07181	1.4
309.09833	1.4
314.10321	6.9
324.12271	2.1
327.07236	1.4
330.09784	6.6
337.09476	7.4
340.07962	1.7
340.11771	6.7
341.08783	1.1
342.09381	4.7
342.13174	10.4
343.06778	1.8
344.11151	4.1
357.08337	6.7
358.09189	53.2
358.13593	2.2
368.11237	12.7
372.10742	44.4
374.15738	1.4
385.07449	1.5
386.12323	13.0
400.10272	41.8
418.10986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32299	0.1
63.94015	0.1
78.04314	0.1
85.65147	0.1
111.39562	0.1
112.69294	0.1
143.53587	0.1
172.92943	0.1
190.40363	0.1
212.33524	0.1
265.84717	0.2
290.08136	0.3
292.09644	2.9
318.07687	0.3
320.09155	100.0
418.12784	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16960	0.4
78.68404	0.4
85.78262	0.5
95.85451	0.5
95.86055	0.6
98.05190	0.5
101.68787	0.5
120.11292	0.5
128.17552	0.6
141.84947	0.5
147.90471	0.5
162.90033	0.6
292.09747	1.0
320.09174	100.0
328.45581	0.6
413.16620	0.5
418.12848	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78762	0.5
55.21892	0.5
64.43110	0.5
82.32215	0.5
87.95776	0.6
105.04381	0.6
108.31154	0.7
123.65503	0.5
205.27179	0.7
212.17836	0.7
236.06972	1.2
237.07852	1.1
265.07526	0.9
292.09708	2.6
319.08459	0.7
319.79190	0.7
320.09164	100.0
322.10931	0.8
334.10806	1.3
418.12836	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40752	0.3
66.96297	0.3
77.41827	0.3
102.26746	0.3
250.53758	0.3
292.09647	2.6
320.09171	100.0
418.12836	27.9
418.18597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.128
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57103	0.2
70.84138	0.2
93.08180	0.2
104.91786	0.2
117.57882	0.3
124.40852	0.2
128.15822	0.2
136.36223	0.2
236.06985	0.8
237.07809	0.3
265.07236	0.3
280.09775	0.6
290.08151	0.3
292.09601	2.4
318.07880	0.2
319.08517	0.4
320.09164	100.0
334.10724	1.0
393.78220	0.2
418.12823	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78762	0.5
55.21892	0.5
64.43110	0.5
82.32215	0.5
87.95776	0.6
105.04381	0.6
108.31154	0.7
123.65503	0.5
205.27179	0.7
212.17836	0.7
236.06972	1.2
237.07852	1.1
265.07526	0.9
292.09708	2.6
319.08459	0.7
319.79190	0.7
320.09164	100.0
322.10931	0.8
334.10806	1.3
418.12836	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89854	0.1
67.32690	0.2
103.24665	0.2
166.72617	0.2
290.08084	0.2
292.09628	3.3
308.99435	0.2
318.07697	0.4
319.08038	0.3
320.09158	100.0
334.10684	0.9
357.54251	0.2
418.12833	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01602	0.2
63.29632	0.2
63.55550	0.2
70.64818	0.2
91.02494	0.2
115.35608	0.3
116.59919	0.2
158.10483	0.3
292.09671	3.7
318.07651	0.4
320.09180	100.0
418.12787	26.0
438.04047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27965	0.3
58.53759	0.3
64.98505	0.3
69.44956	0.3
82.33210	0.3
105.48080	0.4
109.44934	0.3
156.03719	0.3
164.04831	0.4
236.07048	0.4
265.07343	0.5
271.00403	0.4
292.09744	3.3
294.11176	0.5
319.08478	0.5
320.09146	100.0
322.10910	0.4
334.10559	0.6
371.82001	0.4
401.82361	0.4
418.12820	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92790	0.5
56.78288	0.6
66.09975	0.5
77.68729	0.7
85.38302	0.5
87.97395	0.5
95.58797	0.6
98.34051	0.6
101.28168	0.6
109.49521	0.6
156.86649	0.7
292.09653	3.8
307.34616	0.6
315.34879	0.5
320.09171	100.0
418.12823	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06015	1.3
83.52505	1.4
87.66960	1.4
134.44904	1.4
148.15500	1.5
155.49748	1.5
267.50668	1.5
320.09161	10.9
326.07733	1.6
328.05792	2.5
334.10834	3.4
342.07614	49.1
343.08420	3.6
354.07675	7.1
356.05634	8.6
370.07059	51.6
371.07861	36.1
386.10193	69.2
400.04642	2.2
402.09631	1.9
418.12866	100.0
418.27893	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05368	0.7
71.38201	0.7
79.05527	1.1
93.07031	0.9
94.07369	0.9
110.11820	0.8
115.03932	1.1
121.06512	1.7
157.07994	1.0
224.58365	0.9
294.29608	0.9
342.07648	6.8
345.06204	4.8
357.09991	4.8
358.02859	1.6
358.07098	23.0
359.07782	1.0
360.08630	54.0
360.13034	2.0
368.09695	1.2
372.08475	4.3
374.10217	17.8
386.10181	27.9
388.08093	11.6
418.12799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96412	0.6
58.06595	0.9
60.04525	0.7
66.55307	0.6
70.06573	1.0
75.91377	0.6
77.59460	0.6
78.54135	0.6
81.07069	0.9
90.05549	0.7
90.77743	0.6
101.06025	0.7
124.07621	0.7
135.04439	1.6
152.62851	0.7
157.06494	3.5
170.04283	0.8
173.06006	3.2
176.07161	6.5
176.08519	0.6
182.14711	0.9
190.08507	1.0
228.10237	1.5
247.07544	3.6
257.09647	3.1
259.32639	0.7
273.09323	1.1
275.07086	4.7
285.09189	0.8
287.07394	1.3
287.10718	5.2
295.17499	0.7
301.95905	0.8
305.07999	0.7
315.10110	13.3
316.07285	3.6
320.09201	11.0
332.12720	1.1
345.11240	11.7
362.13867	26.6
390.13651	4.8
400.30777	1.1
406.93613	0.8
418.12878	100.0
418.31390	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
69.03451	2.0
74.19315	0.3
83.04996	0.5
93.07027	1.4
95.08643	0.3
105.07037	14.0
105.07719	0.6
109.10189	0.3
111.04454	0.4
115.27551	0.3
121.06521	4.6
129.05489	0.4
147.06604	0.5
229.14209	0.3
267.12198	0.7
320.09210	5.5
329.06842	3.5
329.10504	1.1
330.07669	0.6
334.07239	0.5
334.10916	0.6
336.12308	5.9
340.09634	2.3
342.07693	2.8
344.05603	2.3
349.09671	0.6
355.08557	0.4
356.05649	1.0
356.09210	16.4
357.06290	20.2
357.09982	1.8
358.07092	48.1
367.08594	2.0
368.09134	2.1
370.07104	16.0
372.08566	4.1
374.10257	1.5
384.08652	21.2
385.09421	18.5
387.17929	2.4
388.08124	2.4
400.11795	36.5
402.09671	1.2
403.10254	1.3
418.12872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10513	1.1
61.84340	1.2
67.04506	1.4
67.05503	2.5
73.79182	1.5
76.68626	1.4
81.07052	1.7
95.08604	1.7
105.07033	3.5
119.08617	1.5
121.06519	1.8
143.45134	1.4
229.14325	1.8
254.67172	1.5
290.08295	1.9
291.08774	1.9
292.09799	2.8
303.73697	1.8
319.08264	3.5
320.09030	13.4
321.09830	3.2
329.06708	7.4
334.10724	34.0
336.12253	22.1
348.12357	12.9
349.13098	18.2
356.09158	19.0
357.06174	26.3
357.09906	2.3
358.07062	66.8
367.08267	2.7
368.09372	1.8
370.07159	19.3
372.08594	3.3
384.08621	26.5
385.09369	23.8
388.08136	2.8
390.16870	6.3
400.11792	53.5
418.12662	100.0
418.16800	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15330	0.2
61.21223	0.3
88.68340	0.3
106.88680	0.3
111.29760	0.4
113.04315	0.3
128.30644	0.3
176.24336	0.3
225.85628	0.3
260.91559	0.4
292.09644	3.3
320.09158	100.0
418.12830	29.4
418.18591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59246	0.3
76.82137	0.2
86.53219	0.3
95.54357	0.3
97.84300	0.3
125.70788	0.3
132.67464	0.3
181.04921	0.5
184.38849	0.3
191.72371	0.3
254.08449	1.8
262.08484	0.4
277.07281	0.5
278.08337	0.3
287.11725	0.5
290.08322	1.3
292.09656	6.6
294.80530	0.3
300.08789	0.5
305.07077	0.4
308.09155	100.0
312.08936	0.7
313.09631	0.4
314.10492	0.5
315.07574	1.3
315.11279	5.3
318.07654	2.4
319.08551	0.4
320.09167	54.0
327.07590	2.4
328.08545	0.3
329.09143	3.8
330.09921	0.7
334.10776	1.6
336.12091	0.5
341.09265	0.5
342.10004	14.4
343.07034	1.0
343.10748	3.9
345.12344	2.4
357.08630	3.3
358.09460	11.0
372.10760	0.4
373.07990	2.5
373.11948	18.5
401.11304	31.6
418.05774	4.0
418.13907	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74664	0.7
58.06595	1.1
68.23152	0.8
69.09142	0.8
69.40530	0.8
89.05992	1.0
121.06440	5.9
133.08621	0.9
161.59245	0.8
196.03139	0.8
214.08499	2.0
224.06999	1.1
226.08432	5.3
227.09393	21.8
229.10954	9.8
230.08073	0.9
239.21686	1.0
240.10004	3.7
252.10201	11.9
254.11583	1.3
255.08795	1.4
255.12257	1.7
256.09387	3.4
259.08380	19.6
260.27719	1.0
266.07834	1.3
266.11310	1.1
267.12350	4.6
268.09622	9.1
271.08197	4.6
280.09360	1.7
281.10254	1.0
282.11023	4.3
283.11807	5.1
286.10577	6.6
286.14145	1.7
288.08728	9.6
296.12473	4.2
298.07187	17.3
298.14380	61.8
299.07642	3.9
299.10953	1.0
309.09552	1.4
310.10428	4.4
314.09943	10.9
314.13571	2.2
316.11407	0.9
324.12073	4.5
325.09329	3.9
326.06436	1.8
326.10059	2.0
327.10828	2.1
330.09564	6.6
337.09433	11.5
340.11816	13.7
342.09293	3.7
342.13324	16.4
343.06473	1.0
344.10910	4.5
357.08060	4.7
358.09189	56.8
368.11331	21.6
372.10727	41.1
374.15735	1.4
385.07736	1.3
386.12402	21.5
400.10217	38.8
418.10809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76241	3.3
55.01878	6.0
58.06603	6.7
70.06585	19.6
71.67812	2.8
81.03410	8.6
81.07098	3.2
84.08146	5.0
85.02923	5.3
86.06084	5.8
87.04465	18.0
92.51530	3.4
93.07047	3.9
95.04974	5.3
97.02939	5.5
98.06073	14.7
99.04447	14.5
107.04984	7.1
109.02898	5.3
111.04432	5.8
116.07048	3.9
121.06487	31.7
130.08624	4.5
147.04457	4.1
148.07564	5.2
163.03934	7.8
165.09154	5.4
168.45691	3.7
176.07069	6.6
187.06398	3.6
194.08228	7.1
200.06981	13.9
207.06593	4.6
209.04379	12.9
215.09326	35.3
231.97061	3.9
267.08871	79.6
268.09756	4.2
278.08151	6.1
282.11209	79.8
295.08374	31.2
296.09195	4.2
305.61752	3.9
308.09164	7.4
310.10703	70.8
326.10168	5.9
336.08777	35.5
337.09299	5.8
340.11765	29.5
342.09750	5.5
342.13342	34.2
353.06277	5.4
354.09686	6.4
368.11356	64.0
374.10452	22.2
382.22318	7.9
386.12323	76.7
400.10660	4.4
400.16061	25.0
400.23132	18.2
403.10574	5.2
418.14969	87.9
418.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06664	0.5
62.47618	0.4
69.03506	0.6
69.68775	0.4
70.06656	0.5
78.45267	0.4
81.07103	0.7
84.76440	0.4
85.02976	0.6
86.06163	0.5
87.04561	1.0
95.40353	0.5
98.06126	1.4
99.04526	0.7
106.06654	2.2
108.08236	3.1
109.02919	0.5
121.06567	0.6
124.07715	0.7
126.05612	0.7
127.03931	0.5
134.06070	1.1
136.07686	1.1
148.11258	0.9
149.11562	0.7
152.03560	0.6
152.07068	8.3
152.08055	0.4
158.08163	0.7
170.08231	2.4
176.29865	0.5
194.08086	0.6
256.09659	100.0
259.08310	0.9
344.10297	0.6
400.15646	3.2
418.14734	26.9
438.59674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87624	0.9
58.06602	0.9
60.58980	0.7
70.06598	8.4
76.97622	1.0
99.04478	3.7
101.64413	0.9
107.45215	0.9
114.84396	1.0
116.34628	0.9
127.31487	1.1
133.10179	1.8
133.12543	1.0
167.06998	1.0
200.07101	13.8
215.09410	32.3
226.08456	1.1
234.99037	1.5
238.08711	1.4
238.18938	1.1
239.09442	4.4
241.10919	1.0
250.08597	4.2
252.06526	1.3
253.07350	1.1
266.08008	2.0
267.08884	100.0
268.09686	8.5
278.08060	6.5
279.08792	2.2
280.06122	1.5
280.09662	1.9
281.10419	5.7
282.11246	95.1
283.11969	2.3
284.09286	1.4
294.07578	5.9
295.08386	31.0
296.09161	2.2
298.10858	1.7
308.09039	13.4
310.10718	82.6
311.11450	1.3
312.08533	1.4
313.09387	4.5
314.13785	4.8
321.06247	4.0
325.09485	9.6
326.10245	7.8
327.11047	5.1
336.08643	42.6
337.09570	9.7
339.07272	2.0
339.11237	1.2
340.07755	1.4
340.11795	38.6
342.13354	50.9
354.09738	4.1
357.09790	1.1
358.09021	1.6
360.08813	2.2
368.11273	83.7
385.09427	7.1
386.12341	86.0
388.08179	4.2
403.10526	20.2
418.15363	63.5
418.24408	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76241	3.3
55.01878	6.0
58.06603	6.7
70.06585	19.6
71.67812	2.8
81.03410	8.6
81.07098	3.2
84.08146	5.0
85.02923	5.3
86.06084	5.8
87.04465	18.0
92.51530	3.4
93.07047	3.9
95.04974	5.3
97.02939	5.5
98.06073	14.7
99.04447	14.5
107.04984	7.1
109.02898	5.3
111.04432	5.8
116.07048	3.9
121.06487	31.7
130.08624	4.5
147.04457	4.1
148.07564	5.2
163.03934	7.8
165.09154	5.4
168.45691	3.7
176.07069	6.6
187.06398	3.6
194.08228	7.1
200.06981	13.9
207.06593	4.6
209.04379	12.9
215.09326	35.3
231.97061	3.9
267.08871	79.6
268.09756	4.2
278.08151	6.1
282.11209	79.8
295.08374	31.2
296.09195	4.2
305.61752	3.9
308.09164	7.4
310.10703	70.8
326.10168	5.9
336.08777	35.5
337.09299	5.8
340.11765	29.5
342.09750	5.5
342.13342	34.2
353.06277	5.4
354.09686	6.4
368.11356	64.0
374.10452	22.2
382.22318	7.9
386.12323	76.7
400.10660	4.4
400.16061	25.0
400.23132	18.2
403.10574	5.2
418.14969	87.9
418.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73378	0.4
68.72895	0.4
69.80811	0.4
70.26060	0.4
81.07039	0.8
87.29264	0.4
93.07036	0.9
95.08559	0.7
97.06474	0.5
97.10130	0.7
100.16763	0.4
105.06998	2.1
109.10149	0.5
121.06505	0.9
133.10133	0.6
136.06192	9.7
147.11688	0.6
150.07719	1.9
190.04950	3.0
199.68692	0.4
213.14833	2.7
291.05173	1.9
292.09637	0.7
303.08813	3.2
306.07541	3.0
318.07581	2.3
320.09091	2.5
332.09296	0.6
334.07089	100.0
335.07782	1.9
336.12296	0.8
348.08679	2.9
349.09430	57.4
350.10229	6.9
383.24200	0.5
418.16473	51.8
418.28244	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49269	0.5
63.77506	0.4
71.04938	0.6
75.72044	0.5
76.31249	0.5
81.06991	0.7
82.00816	0.5
130.03929	0.6
136.06198	4.4
169.85217	0.5
190.04926	3.7
195.13826	0.6
196.09651	2.5
213.14833	6.1
218.74355	0.5
247.72865	0.5
290.08194	0.5
291.05240	2.0
303.09027	4.0
305.06934	0.9
306.07520	3.0
318.07486	1.1
320.09146	1.0
334.07083	100.0
335.07718	3.0
336.12225	1.2
348.08655	4.5
349.09421	55.9
350.10184	7.4
418.16513	50.9
418.25922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51053	1.6
53.91735	1.6
57.08581	1.7
58.06610	16.0
62.65229	1.8
69.49461	1.7
70.06600	2.8
73.81927	1.9
79.05496	12.3
81.03416	4.3
81.07066	35.4
84.04544	2.0
85.02899	13.2
86.06078	14.9
86.75059	2.0
87.04482	13.5
89.10867	1.9
95.04981	2.1
97.02883	8.7
98.06048	20.1
99.04434	2.0
107.04957	9.2
109.02877	8.6
116.07088	10.8
124.07604	4.9
125.04723	5.0
125.05985	38.4
126.05525	12.1
126.34846	2.2
128.07043	4.8
138.09149	3.0
147.41212	2.2
148.07584	4.0
153.05518	16.0
166.08630	13.3
176.07053	27.8
182.08113	3.4
194.08133	66.0
212.09149	17.9
214.59535	2.1
230.10214	4.5
382.14865	34.8
400.15936	68.6
418.11880	16.7
418.17215	100.0
428.06775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09375	1.5
54.63641	1.3
57.03425	1.6
58.06602	1.4
60.04498	1.4
60.09124	1.4
69.03419	3.8
70.06599	3.9
79.05496	13.7
81.03434	12.1
81.07064	44.3
84.04498	2.2
85.02904	3.4
86.06073	16.1
87.04480	24.7
90.02652	1.6
91.34827	1.4
96.04491	3.6
97.02855	2.9
98.06057	47.5
99.04442	3.7
103.19887	1.4
104.07119	9.9
106.06618	2.6
108.04481	2.2
109.02874	7.7
110.06066	3.0
114.05540	2.2
116.07100	21.8
121.06510	2.3
124.07577	1.8
125.06001	46.9
125.06874	2.6
126.05495	11.3
127.03916	2.6
127.11809	1.4
128.07056	12.4
138.09114	2.5
140.07152	1.8
144.06621	1.9
146.08167	3.9
148.07552	6.6
152.07057	6.4
153.05449	25.6
158.99834	1.7
161.04668	2.5
162.05345	5.8
164.07054	3.1
166.08650	7.4
170.08176	3.4
171.06499	1.9
174.07637	2.3
176.07074	11.9
182.08130	19.2
194.08159	31.9
212.09225	10.5
230.10275	10.2
248.11360	1.8
272.38223	1.9
273.56271	1.8
286.11523	1.9
289.62943	2.0
293.23343	1.7
304.29645	1.8
382.15054	7.3
397.70258	1.8
400.16025	98.1
418.17044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1972
Annotation	Mygalin
Peak:m/z	Relative Intensity
56.55372	0.4
56.59928	0.4
56.83085	0.4
58.06583	0.5
61.22346	0.4
72.08154	6.6
74.38048	0.4
80.26840	0.4
85.64624	0.5
90.73553	0.4
102.17033	0.5
106.36167	0.4
111.35404	0.5
112.11230	2.7
112.73007	0.5
129.13838	0.7
137.02339	61.8
158.08099	0.7
194.08125	100.0
208.09674	8.4
225.12271	0.7
265.15393	5.8
282.18091	6.5
328.08109	3.1
418.19727	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63194	0.3
80.45771	0.3
91.05511	0.4
93.07053	2.3
95.04965	0.5
98.60295	0.3
103.05476	0.8
108.42419	0.4
112.21202	0.4
121.06506	100.0
122.06809	1.6
138.09151	32.9
139.09558	0.5
142.26276	0.4
173.41367	0.4
222.86671	0.3
256.11789	0.6
262.47952	0.4
418.17181	1.9
431.03217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05137	0.4
50.82160	0.4
55.05506	0.7
55.66714	0.5
57.03442	1.3
61.02931	1.0
64.82442	0.5
69.03437	11.2
69.07076	0.9
71.94128	0.6
73.02922	0.5
77.38567	0.5
79.05484	0.8
81.03432	2.6
81.07047	0.8
83.04996	6.5
85.02903	4.0
87.04523	0.6
91.05473	1.0
93.07043	8.2
95.04942	1.2
97.10172	0.7
105.07037	100.0
105.46029	0.6
107.08593	0.7
109.10188	1.0
111.04441	3.8
113.54661	0.7
119.04933	2.4
121.05628	1.4
121.06506	39.7
128.10767	0.5
129.05478	3.4
147.06538	4.0
220.64418	0.6
229.14336	4.9
267.12244	6.7
280.26474	0.7
281.09998	0.8
299.25613	0.9
320.09082	3.6
329.06940	0.8
334.07004	10.9
343.24432	0.6
349.09433	5.1
350.10361	0.9
356.09070	3.8
357.06329	5.8
358.07056	10.9
368.09097	0.7
370.07104	3.7
380.17560	0.6
384.08716	5.9
385.09424	4.5
387.17953	19.9
400.11655	9.4
418.12491	24.1
418.22046	1.5
418.31686	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2585
Annotation	Aspochalasin I
Peak:m/z	Relative Intensity
55.05514	1.9
57.62577	1.5
61.14585	1.4
67.05508	3.7
69.07063	2.6
70.66595	1.7
73.05587	1.7
79.05491	2.3
81.07047	4.2
93.07077	3.4
95.08591	8.1
97.10170	2.0
98.39819	1.5
98.98502	2.7
109.10127	2.6
114.34900	1.6
125.49344	1.5
130.06525	3.0
146.06009	2.8
148.45604	1.9
155.01048	4.0
156.08096	2.5
178.10381	1.7
241.31874	2.1
246.14787	2.3
247.03094	2.0
260.16232	1.9
264.24063	2.1
272.16428	2.8
284.16351	2.3
315.92679	1.7
320.09323	4.2
320.83951	1.9
336.12149	2.7
354.24237	19.9
364.22693	7.7
372.25153	6.0
374.63205	1.8
382.23755	44.5
385.03018	1.7
400.24796	36.9
416.24194	1.8
418.25790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52892	1.0
56.05043	4.1
58.06607	1.2
60.04533	2.5
67.05505	2.2
69.07069	1.5
70.06606	1.0
72.04518	1.8
74.06098	18.0
76.19553	1.0
77.34253	1.0
79.05499	1.7
81.07059	4.4
83.08635	1.9
86.06063	6.9
88.04009	11.7
88.07629	2.0
91.05486	1.2
95.08621	6.2
98.06072	2.8
100.07642	1.8
102.05545	7.4
102.09225	1.2
109.10170	1.8
112.07619	1.6
112.64883	1.1
116.07105	34.2
118.05016	11.2
118.08650	8.5
119.08552	4.7
120.06591	8.5
120.08899	1.8
144.06575	5.0
145.05019	1.6
162.07611	18.0
216.96021	1.2
218.89226	1.1
257.61511	1.2
280.26431	1.3
334.10703	5.2
372.30960	1.6
400.30899	4.3
418.20013	4.7
418.31628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
56.05040	2.9
60.04548	1.4
67.05505	1.9
70.06586	5.5
74.06071	8.1
81.07072	3.3
81.09756	1.5
83.04984	3.0
86.06050	3.1
86.24102	1.2
88.03996	5.6
88.07635	2.3
95.08598	5.4
96.99062	1.2
98.06042	10.8
100.07659	2.2
100.66915	1.2
101.06025	3.2
102.05537	9.9
102.09198	1.8
103.91660	1.3
104.07154	1.2
107.08619	1.9
111.04430	18.6
116.07088	18.4
118.05007	3.1
118.08624	1.8
119.08566	15.0
120.06561	1.6
120.08919	13.1
121.09216	2.4
127.07546	1.6
129.05486	3.0
132.06551	2.4
144.06543	2.6
153.57407	1.3
155.07027	18.7
162.07547	12.4
173.08098	67.0
202.16367	1.2
236.07336	1.3
256.26282	10.2
334.10626	2.7
400.30469	2.9
418.20349	2.6
418.26538	4.7
418.31601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54180	1.1
55.11246	1.1
60.04521	1.9
60.53741	1.1
70.06591	1.7
84.03947	1.1
84.08215	1.4
88.07645	1.3
89.19707	1.3
103.44481	1.4
124.04015	5.4
132.10164	1.6
249.99725	1.5
257.25418	1.4
302.24524	85.5
302.27829	3.0
325.33224	1.7
356.35153	15.8
418.33029	100.0
418.38611	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
57.07080	4.9
60.04543	8.2
62.82098	0.9
64.27566	1.0
67.05506	6.4
67.54396	1.0
68.45818	1.3
69.07069	4.2
70.06598	1.2
71.08633	1.6
72.08157	31.6
81.07054	8.1
82.07396	1.4
83.08599	1.8
84.08144	6.9
86.09718	12.1
93.07056	1.4
94.06607	1.1
95.08609	9.4
96.08944	1.4
98.98472	6.2
100.11296	2.1
102.09188	4.9
107.08539	1.4
109.10136	2.0
110.09724	3.9
114.09164	47.3
116.10724	29.9
118.08662	6.3
121.02863	1.2
121.10115	2.4
128.10721	2.2
130.08652	2.6
132.10219	6.1
144.10098	1.5
155.01028	10.9
156.01404	1.8
160.09692	26.0
192.03285	1.2
246.22984	2.0
264.24075	7.1
275.48230	1.3
282.28058	4.6
308.33179	1.5
318.18396	4.6
320.09351	2.3
324.32693	1.5
335.18924	4.5
336.19296	17.1
336.32623	5.5
354.20193	2.3
354.33609	7.3
372.34900	6.3
393.10229	1.4
400.34375	4.4
418.35291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.0
57.03454	0.9
57.07076	4.6
60.04544	7.4
64.00655	0.7
67.05517	5.7
68.05844	0.7
69.07066	4.8
70.06614	0.8
71.08628	1.5
72.08159	28.8
79.05502	1.2
81.06689	0.6
81.07062	7.8
82.07389	1.2
83.08630	1.1
84.08150	7.9
86.09709	13.7
92.20918	0.9
93.07055	2.9
95.08623	6.0
96.08105	0.8
96.08964	1.2
97.10172	1.3
98.09740	1.2
98.98468	6.0
100.11261	1.4
102.09197	3.8
109.10140	1.6
110.07170	7.9
110.09731	1.1
110.10506	1.7
114.09167	52.5
114.71915	0.9
116.10735	18.7
118.08643	4.4
121.02866	1.1
123.11726	1.1
128.10707	1.4
130.08673	4.5
132.10211	10.9
149.13203	1.0
155.01021	8.2
156.07710	1.4
160.09674	24.2
233.15236	0.8
264.24063	4.2
265.25006	1.0
270.33862	1.0
282.28000	4.9
303.06873	0.9
308.32925	1.5
318.07498	1.0
318.18298	1.8
318.31580	1.0
320.09171	1.2
324.32675	1.7
335.19034	3.6
336.19263	12.7
336.32697	4.6
353.19916	1.1
354.20071	6.2
354.33722	6.3
372.34683	3.7
400.34122	5.4
403.64090	0.8
418.20389	8.4
418.30475	5.3
418.35291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06500	0.6
57.07084	28.5
58.06603	0.7
69.07079	1.0
71.08631	24.3
81.07079	2.4
83.08614	1.0
85.10181	12.0
87.97627	0.7
89.46545	0.6
91.05489	1.5
93.07047	4.4
95.04982	0.7
95.08594	0.7
99.11745	0.7
103.05460	1.4
104.82641	0.6
121.06505	100.0
123.09841	0.7
123.11697	0.9
138.09138	13.7
138.10080	0.9
150.06621	1.6
192.96582	0.7
208.98807	0.8
298.31000	1.2
356.35272	3.4
369.28766	0.7
418.36884	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92251	2.8
58.06606	4.8
61.87589	3.0
69.61647	3.5
70.60258	3.3
74.70588	2.9
78.29163	3.1
88.07634	22.4
104.07083	3.9
124.20180	3.4
162.11279	5.3
279.24731	4.1
320.09039	3.7
326.34122	32.4
370.36789	13.1
418.38943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1313
Annotation	Flustramine M
Peak:m/z	Relative Intensity
61.77282	0.7
64.76422	0.6
70.06592	0.9
72.08126	1.0
76.73582	0.6
86.09732	1.0
96.58588	0.8
99.04468	0.8
113.07071	0.7
121.42926	0.8
122.46254	0.8
146.70027	0.8
166.97188	0.8
187.14488	0.8
237.10863	0.8
324.04730	0.8
419.13126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1486
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
54.37112	0.2
63.84043	0.2
76.84561	0.2
88.24055	0.2
103.76295	0.2
137.02335	0.5
159.99197	0.3
201.76917	0.2
207.02875	12.4
207.04813	0.5
271.06006	0.4
292.07330	0.3
320.06653	0.4
345.07440	0.4
348.06256	4.9
363.08600	100.0
419.14880	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33152	0.7
60.64331	0.6
73.55214	0.8
85.02914	0.9
87.99097	0.7
127.22282	0.6
137.05901	0.9
137.47101	0.6
144.79510	0.6
172.31374	0.6
256.09741	0.9
257.09995	2.6
287.11072	6.1
357.52783	0.8
392.39218	0.6
419.15207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19506	1.5
63.07291	1.3
67.90424	1.3
98.06104	2.2
105.74644	1.7
117.29961	1.3
125.06007	3.4
126.05484	1.5
126.06383	1.8
172.26035	1.8
177.07306	2.4
194.08194	3.2
257.13010	2.3
274.56107	1.9
383.15369	3.0
401.16284	8.9
419.12878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19506	1.5
63.07291	1.3
67.90424	1.3
98.06104	2.2
105.74644	1.7
117.29961	1.3
125.06007	3.4
126.05484	1.5
126.06383	1.8
172.26035	1.8
177.07306	2.4
194.08194	3.2
257.13010	2.3
274.56107	1.9
383.15369	3.0
401.16284	8.9
419.12878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33152	0.7
60.64331	0.6
73.55214	0.8
85.02914	0.9
87.99097	0.7
127.22282	0.6
137.05901	0.9
137.47101	0.6
144.79510	0.6
172.31374	0.6
256.09741	0.9
257.09995	2.6
287.11072	6.1
357.52783	0.8
392.39218	0.6
419.15207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19506	1.5
63.07291	1.3
67.90424	1.3
98.06104	2.2
105.74644	1.7
117.29961	1.3
125.06007	3.4
126.05484	1.5
126.06383	1.8
172.26035	1.8
177.07306	2.4
194.08194	3.2
257.13010	2.3
274.56107	1.9
383.15369	3.0
401.16284	8.9
419.12878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.2
70.06588	0.2
73.61028	0.1
86.09702	0.2
88.09535	0.2
100.25704	0.2
101.10727	0.2
121.02859	0.3
129.10312	0.2
145.75227	0.2
153.05591	0.2
159.06258	0.3
200.38525	0.2
256.09705	0.3
257.10031	1.5
257.12735	0.2
389.14084	0.3
419.15225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10142	0.2
68.08455	0.3
73.13063	0.3
121.41331	0.3
153.72935	0.3
185.32178	0.3
240.47130	0.3
248.55547	0.3
291.08936	0.4
292.09534	2.3
308.12903	1.3
320.09180	10.6
321.09857	6.1
336.12289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65762	0.2
91.35824	0.2
95.20185	0.3
133.77708	0.2
153.25810	0.2
200.44844	0.2
292.09641	3.4
293.10333	0.3
308.12830	1.2
320.09167	9.9
321.09885	7.1
336.12283	100.0
419.16495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65762	0.2
91.35824	0.2
95.20185	0.3
133.77708	0.2
153.25810	0.2
200.44844	0.2
292.09641	3.4
293.10333	0.3
308.12830	1.2
320.09167	9.9
321.09885	7.1
336.12283	100.0
419.16495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81794	0.2
62.07736	0.3
66.08941	0.3
69.69611	0.3
90.67319	0.3
98.19695	0.3
99.04430	0.4
125.59694	0.3
128.79211	0.3
163.99649	0.3
189.68541	0.3
202.58150	0.3
292.09668	10.4
304.09656	2.4
306.07498	3.2
320.05432	0.5
320.09167	11.2
321.06073	0.6
321.09949	29.2
336.12277	100.0
353.12711	0.3
419.15964	0.7
434.57431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66175	0.1
53.35463	0.1
55.27971	0.1
55.32459	0.1
58.50217	0.1
64.17350	0.1
76.68746	0.1
88.03126	0.1
90.81523	0.1
275.09375	0.3
278.08105	0.3
291.08893	0.2
292.09650	10.3
304.09607	2.0
306.07562	3.2
306.10797	0.2
318.07578	0.2
320.09183	11.5
321.09955	27.1
336.12286	100.0
419.16165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81794	0.2
62.07736	0.3
66.08941	0.3
69.69611	0.3
90.67319	0.3
98.19695	0.3
99.04430	0.4
125.59694	0.3
128.79211	0.3
163.99649	0.3
189.68541	0.3
202.58150	0.3
292.09668	10.4
304.09656	2.4
306.07498	3.2
320.05432	0.5
320.09167	11.2
321.06073	0.6
321.09949	29.2
336.12277	100.0
353.12711	0.3
419.15964	0.7
434.57431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55162	0.1
54.80714	0.1
57.17839	0.1
58.06585	0.1
75.44112	0.1
76.86858	0.1
95.59370	0.1
99.04438	0.1
106.65349	0.1
143.45290	0.1
159.67763	0.1
164.30498	0.1
167.07031	0.1
217.53435	0.1
231.05632	0.1
275.09399	0.6
278.08032	0.4
291.08817	0.2
292.09662	10.7
304.09613	2.1
306.07587	3.6
320.09161	12.1
321.09946	27.2
334.10733	0.1
336.12280	100.0
345.38916	0.1
419.15976	1.7
419.20535	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1709
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
55.01875	34.3
59.36251	4.1
71.56493	4.3
99.52959	4.2
105.07046	6.8
107.04965	10.6
123.04409	23.7
132.42909	5.1
142.02625	5.1
145.06470	5.7
149.05975	7.9
159.08038	11.0
161.06023	12.4
165.19374	5.4
167.07005	68.2
177.05496	41.7
181.04941	71.7
183.06531	31.9
187.07544	8.3
191.07013	10.5
193.08571	10.5
205.08650	8.8
209.08110	56.1
219.10172	9.6
247.09848	10.1
249.11270	7.3
299.09573	5.2
320.09219	7.1
321.09671	6.3
360.15408	6.2
369.13290	6.8
401.15881	10.6
403.13773	9.1
419.16788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
50.16098	2.0
55.01884	35.5
65.03941	2.2
69.34000	2.0
80.94926	2.1
92.20945	2.4
94.44774	2.4
96.25961	2.4
103.05465	11.9
104.16684	2.4
105.07092	3.9
107.04941	11.3
111.23682	2.0
121.06580	2.4
123.04431	13.6
124.76971	2.2
125.05984	2.7
131.04910	19.3
131.08563	3.6
133.06488	5.5
141.17149	2.6
148.05252	2.8
149.05963	11.4
153.05418	2.8
155.07086	3.9
159.08032	10.0
161.06001	8.5
163.07497	19.0
167.07028	50.2
171.06538	4.7
177.05524	29.3
181.04959	100.0
181.08484	3.8
183.06548	17.7
184.48010	2.4
187.07579	10.3
191.07021	82.9
193.08595	10.1
205.08582	5.8
209.08098	46.7
211.56264	2.3
217.08580	2.6
219.10220	8.7
231.10292	2.6
249.11217	14.8
265.10779	3.1
307.09793	3.1
315.08255	3.0
320.08975	17.2
321.09494	30.8
373.08841	15.5
387.13699	2.5
401.15881	19.2
419.12537	27.0
419.17706	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1908
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.03944	4.2
55.09648	1.0
56.17479	0.8
58.06630	1.1
59.29576	0.8
66.12778	0.9
67.14094	0.9
69.03430	5.9
70.48547	1.1
71.04990	1.9
81.03423	13.5
85.02902	11.9
95.08617	2.0
95.42252	1.0
97.02895	5.3
99.04458	100.0
99.08097	2.3
105.07021	1.8
109.02897	2.6
113.09634	1.6
117.05509	2.1
123.08052	4.5
127.03947	5.7
133.06490	12.1
137.05978	15.8
141.09103	23.5
145.04953	5.1
159.10132	10.3
165.09096	4.1
167.07045	5.4
183.10204	2.2
230.38214	1.1
233.86957	1.2
242.08252	1.7
257.13870	8.5
278.10272	5.0
419.12100	4.6
419.18549	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52328	0.7
55.05516	1.7
59.12469	0.7
67.05501	1.8
69.07059	3.5
73.20062	0.7
81.07059	4.3
83.08608	1.9
95.08598	6.3
97.10146	1.0
98.98463	13.0
107.08587	1.8
109.10157	1.5
111.04454	8.4
120.67585	0.7
121.10141	2.0
125.05991	1.3
135.07999	0.9
135.11690	4.4
155.01047	19.4
163.11150	3.2
181.12286	3.8
203.10440	10.1
221.11551	1.5
239.12517	49.4
239.14966	1.8
247.24112	1.8
256.22534	0.9
265.25247	6.8
317.17249	1.3
319.19431	17.6
337.16425	1.6
337.20456	38.4
337.24374	1.6
354.19217	1.0
355.21545	13.5
373.22656	5.6
419.24017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23263	1.3
55.05510	3.7
57.07073	1.9
65.15632	1.4
67.05496	8.4
69.07072	11.4
74.27406	1.5
79.05486	2.3
81.07043	11.7
83.08599	7.0
89.51039	1.5
89.73392	1.6
93.07043	2.4
95.08602	10.5
95.98722	1.5
96.29328	1.4
97.10144	5.6
98.98470	24.8
107.08597	3.3
109.10133	7.1
111.04405	7.8
121.10119	3.0
123.11665	1.6
132.74976	1.8
135.11667	7.6
136.47458	1.4
155.01027	42.3
163.11079	1.7
181.12265	3.1
203.10425	9.1
239.12526	50.9
246.13077	2.2
265.25186	9.0
294.92084	1.7
298.06580	1.8
337.20193	2.6
419.23926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2634
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
55.01871	26.9
57.07060	3.5
57.77751	3.8
58.06572	3.9
69.03456	5.1
71.04993	8.2
73.00971	3.9
73.70567	3.4
73.97217	3.7
79.05492	8.9
81.07063	62.5
85.02908	8.5
93.07045	23.5
95.08612	24.3
103.05463	15.6
105.06998	21.3
107.04979	15.2
107.08598	31.7
108.38478	3.9
109.10168	20.8
110.65102	4.4
119.08567	25.3
121.06470	3.9
121.10181	5.4
123.04456	5.7
123.11729	9.6
127.03900	4.1
127.11214	17.5
131.04900	20.4
133.06503	7.1
133.10107	24.3
135.11700	93.5
143.10670	21.0
147.11671	16.3
148.05257	4.1
149.05934	16.1
153.05484	4.4
153.12770	5.6
159.08089	8.7
161.05997	16.4
161.13260	7.1
161.16663	4.3
163.07561	20.0
167.07019	96.3
169.30873	4.6
171.06564	4.6
173.05940	4.9
177.05386	30.1
181.04935	88.9
183.06554	8.7
187.07570	9.2
191.07056	100.0
203.17889	45.0
205.08539	5.3
206.06152	4.5
209.07986	31.3
219.10141	7.3
221.18961	57.6
239.19992	6.6
247.09633	6.0
249.11267	8.8
265.10797	5.1
278.08072	8.2
281.09079	4.1
292.09848	4.9
321.09525	6.8
330.11157	4.4
336.12482	4.9
401.15961	23.2
403.13934	9.1
419.17191	62.2
419.22433	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04647	0.7
63.50509	0.8
67.05508	1.4
69.07076	1.3
79.05490	1.6
81.07046	4.9
83.08613	1.6
93.07038	1.5
95.08597	7.9
96.58418	0.9
98.98464	1.8
107.08615	1.5
109.10196	1.2
123.08044	2.2
141.09090	2.4
155.01035	2.5
217.75700	1.1
244.71417	1.0
265.25229	1.2
279.44675	1.1
356.43610	1.2
361.09241	1.3
398.52432	1.0
401.26480	1.3
402.26593	1.1
419.27649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76246	3.0
57.07086	3.1
62.21141	2.7
71.45646	2.7
91.46133	3.0
93.07045	21.7
95.68661	2.8
100.64069	2.9
103.49374	3.0
103.83136	3.0
105.07039	3.8
105.26559	2.7
107.08612	31.0
121.06491	11.0
123.04410	3.4
133.10127	47.0
135.11632	6.5
161.09598	26.7
177.99992	3.2
179.10669	100.0
262.41769	3.2
311.05359	3.5
417.79440	3.6
419.31583	18.5
442.72946	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3155
Annotation	Diisononyl phthalate
Peak:m/z	Relative Intensity
55.01888	2.3
55.05525	39.5
57.03444	2.3
57.07085	3.0
63.55978	1.7
67.05515	29.5
69.03439	2.3
69.07077	22.1
71.05013	2.5
79.05498	31.2
81.07062	33.9
83.08630	29.9
85.06541	2.2
91.05481	19.5
93.07047	44.8
95.04325	1.7
95.04977	2.5
95.08609	30.9
97.10177	41.4
98.98486	3.4
105.07043	25.9
107.08592	34.9
109.06497	1.8
109.10165	17.8
117.07049	2.5
119.08607	21.5
121.10150	28.4
123.08048	2.1
123.11735	7.1
125.09632	21.4
125.12445	1.9
129.09134	8.0
131.08583	13.6
133.10149	27.1
135.08018	2.4
135.11700	29.3
137.05989	19.0
137.13176	1.9
140.10716	3.8
143.08548	7.2
143.10643	2.1
145.10130	10.8
147.11719	27.5
149.13306	16.9
155.01056	7.4
157.10147	8.2
157.13417	3.4
159.11691	16.3
161.13272	14.8
169.10080	2.0
171.11700	7.2
173.13277	7.5
175.14857	4.0
185.13255	4.5
199.14900	2.4
211.14842	2.7
228.40099	1.8
231.21033	2.3
241.19511	10.5
257.19092	2.5
259.20538	29.6
277.21613	9.8
307.43115	2.0
328.47433	1.8
341.17331	1.9
349.77017	1.8
360.15659	2.1
387.25214	3.4
401.30392	23.8
401.34869	2.2
419.26486	3.4
419.31625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35610	0.7
63.21529	0.6
64.90971	0.6
73.19296	0.6
99.04439	0.8
111.04444	0.6
112.26942	0.7
125.05987	2.9
141.05478	4.6
149.18867	0.6
153.05461	100.0
159.99768	0.7
160.24919	0.7
180.58948	0.7
215.51244	0.8
419.35074	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
79.03606	0.9
98.24816	0.9
119.04918	1.1
147.81351	1.0
163.29274	1.0
288.06808	1.0
293.08536	1.1
303.08911	3.8
307.08224	1.2
311.09460	1.3
316.06030	1.7
322.10800	1.4
330.07614	13.6
331.08353	23.7
334.10699	4.1
335.07831	1.4
337.13245	1.2
346.07068	13.3
358.07050	12.7
359.07907	13.6
363.07358	1.5
367.24658	1.4
376.07935	1.7
379.11893	2.1
385.57379	1.0
387.07452	8.1
402.09714	100.0
405.08496	1.8
420.10712	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20094	0.8
74.69802	0.7
76.68824	0.7
81.07076	0.8
93.07087	1.3
107.08614	1.1
121.06497	7.2
123.05515	0.8
147.84453	0.7
202.75928	0.8
254.15448	0.9
261.08011	0.9
272.07071	1.1
273.07904	1.2
274.08755	1.0
276.06735	0.7
287.05688	9.4
289.07315	1.3
292.09882	0.8
299.05704	1.3
300.06674	1.0
301.07349	10.5
302.04578	1.4
302.08173	8.4
313.07141	0.8
315.05301	8.8
316.06116	3.7
317.06952	5.3
328.05881	1.0
329.06915	3.5
330.07590	17.1
331.08322	1.1
332.09067	11.8
334.10617	1.3
336.12482	1.5
343.04712	1.0
344.05576	5.0
345.06439	1.5
346.07239	4.0
358.07095	12.3
359.07761	6.7
360.08630	19.1
373.05643	10.1
374.34247	1.0
388.08109	100.0
405.15814	1.0
420.09903	12.8
420.18231	6.0
420.24442	2.6
420.29401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22663	0.7
59.50376	0.7
65.93887	0.8
76.62564	0.8
95.08646	1.0
119.64730	1.0
156.68846	0.9
177.34497	1.0
185.58759	0.8
187.06178	1.7
188.03464	1.4
214.04944	5.4
240.30115	0.8
318.07547	3.3
319.08374	3.8
320.09171	8.8
322.07144	1.0
322.10599	5.3
334.10757	8.0
335.11349	2.0
343.08362	1.4
346.06970	1.8
348.08621	13.5
360.08719	6.3
361.09277	4.6
362.06577	20.8
363.07349	1.0
376.08023	50.9
376.11362	3.0
377.08881	24.6
388.08005	5.6
390.05661	1.5
390.13278	1.3
392.11258	42.9
404.92325	0.9
420.10599	100.0
420.17661	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92920	0.4
57.98388	0.4
61.63774	0.4
66.39898	0.4
68.92442	0.4
69.27921	0.4
97.42439	0.5
287.09402	0.7
312.89722	0.5
315.08905	5.9
318.07587	29.8
320.09143	6.8
321.09787	1.7
331.08499	0.6
332.09174	15.1
334.10687	2.4
336.12283	6.3
337.12540	0.7
343.08392	27.3
344.09146	3.9
346.07062	20.8
348.12131	1.5
360.08759	3.0
361.09439	64.3
376.11780	100.0
384.22043	0.5
388.15613	0.7
390.13306	2.1
404.15112	3.5
405.15768	2.3
409.56729	0.5
410.42508	0.4
420.09836	0.7
420.18280	19.7
440.24161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.0
84.99001	0.7
91.20552	0.8
94.12505	0.8
98.95196	0.9
113.03331	0.9
130.54298	0.9
179.03378	0.9
202.04980	1.8
210.75694	0.8
211.74654	0.8
229.14317	1.6
283.09509	1.1
320.09116	17.6
330.07471	3.4
331.08340	12.7
332.09164	1.3
336.12250	1.3
342.07547	1.1
343.08075	1.1
344.09222	3.7
345.09805	1.2
346.07047	8.9
358.06873	1.7
360.08688	23.3
361.09476	4.8
362.06387	1.3
373.17487	1.0
374.06250	1.1
374.10333	3.8
375.10855	4.3
376.11868	5.2
386.06662	3.6
387.07269	5.2
388.08145	25.4
389.08847	8.4
402.09674	13.8
404.07297	1.1
420.10684	100.0
420.16888	3.8
439.07770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92920	0.4
57.98388	0.4
61.63774	0.4
66.39898	0.4
68.92442	0.4
69.27921	0.4
97.42439	0.5
287.09402	0.7
312.89722	0.5
315.08905	5.9
318.07587	29.8
320.09143	6.8
321.09787	1.7
331.08499	0.6
332.09174	15.1
334.10687	2.4
336.12283	6.3
337.12540	0.7
343.08392	27.3
344.09146	3.9
346.07062	20.8
348.12131	1.5
360.08759	3.0
361.09439	64.3
376.11780	100.0
384.22043	0.5
388.15613	0.7
390.13306	2.1
404.15112	3.5
405.15768	2.3
409.56729	0.5
410.42508	0.4
420.09836	0.7
420.18280	19.7
440.24161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.144
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43507	0.4
68.47188	0.4
68.53951	0.4
89.29155	0.5
93.51674	0.4
93.89001	0.4
152.43973	0.4
292.09641	10.2
304.09665	1.9
306.07590	3.7
307.08362	1.1
320.09131	12.5
321.09961	28.9
322.10687	14.2
336.12283	100.0
337.12628	5.0
337.16519	0.6
420.14401	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40128	0.5
53.81758	0.5
62.89943	0.4
63.82557	0.5
65.52171	0.5
107.04943	0.5
121.06463	0.8
149.59682	0.5
158.99045	0.7
162.45517	0.6
181.04875	1.2
182.05281	0.6
187.07535	0.7
191.07114	2.1
208.22870	0.6
209.21231	0.5
278.07764	0.6
292.09698	7.6
320.09183	100.0
321.09924	5.9
322.10471	3.8
328.02939	0.6
336.12323	18.1
386.22250	0.5
402.22711	0.7
420.13931	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35966	0.6
59.22317	0.8
69.48196	0.7
72.68710	0.7
80.11523	0.7
92.91154	0.8
93.36846	0.7
122.71406	1.0
127.11125	0.7
148.36607	0.8
157.05029	0.9
177.18358	0.8
201.47710	0.8
236.07040	4.7
237.07927	1.1
265.07355	1.3
268.27524	0.8
279.08923	1.1
292.09674	11.7
304.09604	3.7
306.07562	3.7
307.08359	4.0
320.09167	12.8
321.09930	31.9
322.10739	11.0
336.12292	100.0
420.14401	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68098	0.2
63.30171	0.1
67.17070	0.2
71.54247	0.1
73.31950	0.2
74.40862	0.2
92.21012	0.3
128.85176	0.2
136.06178	3.3
158.26305	0.2
163.37393	0.2
232.19002	0.2
232.45807	0.2
262.08453	0.2
275.00879	0.2
277.07404	0.2
292.09714	4.2
318.07562	0.7
320.09177	100.0
321.09866	2.0
322.10410	0.8
330.87701	0.2
336.12314	4.4
358.10745	0.3
374.13760	0.3
376.11615	0.2
404.11215	0.3
420.14294	32.1
420.23059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.144
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
58.06594	2.8
67.42953	0.5
121.06503	2.0
181.40840	0.4
263.09143	0.8
264.10178	0.6
271.06128	0.5
279.08575	0.7
291.08838	0.6
292.09665	21.0
292.12991	0.8
293.10092	10.0
294.11249	8.0
305.09985	2.5
306.07565	1.7
307.08252	9.1
320.09122	3.6
321.09674	18.9
322.10474	46.8
333.13742	0.8
336.12277	22.4
337.12610	100.0
378.13498	0.5
388.11755	5.1
400.55151	0.5
402.13675	0.4
420.14383	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68098	0.2
63.30171	0.1
67.17070	0.2
71.54247	0.1
73.31950	0.2
74.40862	0.2
92.21012	0.3
128.85176	0.2
136.06178	3.3
158.26305	0.2
163.37393	0.2
232.19002	0.2
232.45807	0.2
262.08453	0.2
275.00879	0.2
277.07404	0.2
292.09714	4.2
318.07562	0.7
320.09177	100.0
321.09866	2.0
322.10410	0.8
330.87701	0.2
336.12314	4.4
358.10745	0.3
374.13760	0.3
376.11615	0.2
404.11215	0.3
420.14294	32.1
420.23059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92469	0.4
63.89508	0.4
64.00526	0.5
66.73672	0.5
68.39656	0.6
73.79871	0.6
81.13509	0.6
88.70992	0.7
89.21414	0.6
92.21494	0.6
121.06499	0.9
182.66920	0.6
275.09451	0.6
292.09619	9.3
304.09601	2.3
306.07535	4.4
307.08313	8.6
320.09161	12.9
321.06100	1.2
321.09933	36.0
322.10696	51.0
336.12268	100.0
345.35474	0.7
420.14383	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40128	0.5
53.81758	0.5
62.89943	0.4
63.82557	0.5
65.52171	0.5
107.04943	0.5
121.06463	0.8
149.59682	0.5
158.99045	0.7
162.45517	0.6
181.04875	1.2
182.05281	0.6
187.07535	0.7
191.07114	2.1
208.22870	0.6
209.21231	0.5
278.07764	0.6
292.09698	7.6
320.09183	100.0
321.09924	5.9
322.10471	3.8
328.02939	0.6
336.12323	18.1
386.22250	0.5
402.22711	0.7
420.13931	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1439
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
64.86952	1.4
81.07041	1.7
95.08583	1.9
126.64912	1.4
128.07768	1.4
149.05957	5.6
186.53596	1.5
188.08362	1.7
216.93257	1.5
218.08113	5.9
345.09531	5.9
346.10690	3.0
374.10342	19.4
388.11517	7.3
389.12573	100.0
393.08487	1.4
404.11032	1.4
420.14154	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92469	0.4
63.89508	0.4
64.00526	0.5
66.73672	0.5
68.39656	0.6
73.79871	0.6
81.13509	0.6
88.70992	0.7
89.21414	0.6
92.21494	0.6
121.06499	0.9
182.66920	0.6
275.09451	0.6
292.09619	9.3
304.09601	2.3
306.07535	4.4
307.08313	8.6
320.09161	12.9
321.06100	1.2
321.09933	36.0
322.10696	51.0
336.12268	100.0
345.35474	0.7
420.14383	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1441
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
56.82040	0.9
68.00895	1.0
69.96629	1.0
88.95340	1.1
92.21525	1.8
93.50041	0.9
129.07010	5.8
131.04961	7.9
135.04478	1.8
149.05981	7.6
157.06482	48.1
157.07784	1.9
158.06006	2.4
159.04419	1.9
161.05977	11.2
163.07562	1.8
176.07095	1.8
178.08649	1.7
187.07545	24.7
188.07085	9.4
189.05470	27.6
191.07094	1.4
204.06540	34.7
206.08102	15.6
215.07048	1.8
216.06534	4.3
217.04948	9.2
234.07643	8.6
272.09286	1.6
317.11493	1.2
320.09125	12.5
321.09814	1.4
345.11322	1.2
370.08264	1.1
375.12265	4.2
388.09683	1.5
403.11795	6.2
420.14471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1441
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
80.12309	1.0
92.21540	1.4
95.08590	1.6
116.50814	1.0
118.76107	1.0
120.26452	1.1
125.09678	1.6
126.66158	1.0
134.85367	1.0
164.11258	1.0
174.05476	1.8
224.94432	1.1
260.08469	1.1
307.08191	1.9
319.08316	1.1
320.09045	1.8
322.10678	4.8
331.08240	1.7
334.10663	5.2
342.11301	1.2
344.09155	2.2
346.06787	1.5
348.12210	4.6
358.10806	13.2
359.07919	17.1
359.11765	2.0
360.08627	44.3
370.10718	4.5
372.08621	18.9
374.10071	4.3
385.22183	2.0
386.10181	18.7
387.11002	16.9
390.09689	2.3
402.08774	2.1
402.13428	29.9
404.11157	1.3
420.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09085	0.8
58.78807	0.8
71.96242	0.9
73.73875	0.9
74.98011	0.9
104.45607	1.0
164.49303	1.0
192.20012	0.9
208.54915	1.2
289.27255	1.0
307.08289	1.8
318.07266	1.5
319.08273	3.6
320.09225	7.9
322.10843	7.9
334.10641	13.1
335.11246	2.0
336.12088	1.9
344.08942	7.0
346.10559	1.7
347.07666	6.4
358.10416	1.9
358.14285	1.5
359.11655	8.1
360.08569	21.9
360.12540	2.0
361.09109	1.5
362.10184	59.4
372.12021	2.0
374.10083	7.3
376.11667	18.6
386.13504	6.1
388.11743	32.8
390.09586	11.2
391.13882	1.2
402.16660	4.5
405.11810	2.5
412.14175	1.5
420.14096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1439
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
51.08792	0.5
55.52065	0.6
61.65857	0.6
129.06897	3.2
131.04863	1.1
146.40251	0.7
149.05908	2.7
149.09657	0.6
157.06465	17.0
160.84689	0.6
166.62515	0.8
175.06125	1.1
176.07010	2.4
187.06146	0.6
187.07527	9.1
203.21236	0.6
204.06552	32.1
206.08029	4.6
216.06493	1.1
232.05971	0.7
259.88641	0.8
267.64258	0.7
292.09607	1.3
320.09155	68.8
321.09607	3.2
322.10474	1.0
331.11810	1.0
333.09723	2.7
334.10843	5.2
336.08759	0.8
336.12262	15.4
348.11862	0.9
360.12354	0.9
361.09375	0.8
362.13745	1.0
374.13660	1.1
376.11319	2.7
376.15271	2.6
384.11670	0.9
390.13065	3.5
401.74817	0.8
402.13391	9.5
404.14694	4.5
405.15845	2.2
420.13983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
102.87265	0.8
135.99368	0.8
154.04523	1.0
163.05341	0.8
167.06960	0.7
190.06429	1.5
191.07196	1.2
218.06013	1.0
276.06558	5.0
290.08176	7.5
294.55603	0.8
302.07837	1.8
304.06021	9.5
310.19479	1.0
316.06155	1.1
318.07590	11.0
319.08374	44.7
320.09021	1.7
322.10684	4.5
334.10715	100.0
336.12341	6.3
398.14453	0.9
420.14328	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66745	0.4
55.61485	0.4
58.06619	5.0
59.36678	0.6
65.64893	0.4
67.90740	0.5
69.89799	0.5
84.62659	0.5
85.02919	0.7
91.05464	0.6
95.93846	0.8
99.04440	1.1
103.65066	0.5
105.03383	0.9
119.04917	6.4
137.05977	4.2
147.04419	2.7
151.07506	3.9
161.06047	0.7
179.07037	3.7
190.06212	0.6
290.08121	9.4
302.08099	3.0
304.06073	7.9
318.07693	9.9
319.08380	41.6
322.10620	0.9
334.10721	100.0
420.15631	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.6
64.18338	0.3
75.30780	0.3
103.36381	0.3
114.42349	0.3
174.18446	0.4
273.07764	0.3
276.06839	0.4
290.08133	8.9
302.08228	2.8
304.06015	8.3
318.07596	13.2
318.11127	0.6
318.51559	0.4
319.08380	42.5
334.10721	100.0
420.15579	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	1.6
61.40844	0.4
62.51279	0.3
87.24584	0.4
144.07040	0.5
217.63855	0.4
244.61018	0.4
247.93256	0.4
267.68341	0.4
276.06479	0.6
278.29489	0.5
290.08127	9.4
302.08176	2.7
304.06033	9.5
318.07626	12.4
319.08380	41.9
334.10733	100.0
358.16507	0.4
358.43793	0.4
389.74274	0.4
419.76624	0.4
420.11148	0.5
420.15714	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05595	0.5
55.01896	0.4
57.03437	0.8
57.12139	0.4
59.04995	0.5
69.03432	4.7
74.07404	0.5
75.04437	0.5
82.75691	0.4
85.02921	3.5
87.04461	2.8
87.94014	0.5
95.02451	0.8
97.02905	3.0
101.06007	4.2
107.04972	1.0
111.04316	0.5
112.05089	100.0
115.03937	2.1
121.06512	2.1
126.05491	0.9
129.05492	1.2
132.97812	0.6
146.05995	1.1
147.06522	4.7
151.72797	0.5
152.07076	0.8
164.07062	1.2
194.26826	0.5
200.04736	0.6
202.06261	0.8
229.30849	0.5
258.10870	11.3
272.06857	2.3
289.07629	0.8
290.07816	3.5
304.09500	3.2
320.09009	2.5
420.16739	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1656
Annotation	glandicoline B
Peak:m/z	Relative Intensity
50.75133	0.9
51.30650	0.8
51.57654	0.9
54.18381	0.9
58.06614	39.3
69.51228	1.0
70.06599	1.8
72.08150	1.1
72.85323	1.0
75.04506	4.6
85.02941	2.3
107.04998	4.9
107.75700	1.1
120.08105	1.2
121.06531	4.8
123.04484	5.8
137.06032	4.8
164.06990	1.4
196.05191	1.9
197.06020	1.7
199.07642	1.3
200.08397	2.3
210.06046	6.0
211.05894	1.1
211.07483	8.8
226.06395	1.5
227.07076	2.3
228.07942	2.0
239.07050	22.4
241.05025	10.6
241.08762	2.8
254.09335	2.1
255.06699	6.5
256.07367	13.5
265.05032	2.1
267.06537	18.6
269.04807	2.3
269.08191	13.4
271.09680	1.5
283.06042	1.8
284.06787	39.7
284.09689	1.9
297.07748	5.2
299.09155	60.0
311.05405	9.0
315.08517	1.8
325.07156	13.7
328.05878	2.7
329.42432	1.3
332.11603	2.2
344.14902	13.6
375.10837	19.7
384.17740	1.8
420.16776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66737	0.7
59.35612	0.8
67.70230	0.8
68.25281	1.0
71.18436	0.7
78.17251	0.7
78.28434	0.7
81.07048	1.1
89.51442	0.8
112.09769	0.8
112.10549	0.8
112.62164	0.8
117.28539	0.8
147.87000	0.8
149.79504	0.8
157.04997	0.8
171.24702	0.8
172.61203	0.9
211.61787	0.8
217.99048	0.9
223.46469	0.8
230.48715	0.9
278.07980	1.0
292.09647	4.0
299.89160	0.9
306.07489	1.3
316.09851	1.2
317.10254	0.9
320.09091	10.3
321.09744	6.9
322.10614	3.8
329.58621	1.0
330.11584	1.0
331.11850	1.7
334.10580	3.8
335.11606	3.1
336.12244	6.3
348.08658	15.7
348.12494	1.7
349.13083	1.2
358.10410	1.1
360.15942	5.4
362.06000	1.5
362.10190	26.0
362.13876	1.7
376.11728	8.8
376.15744	1.0
387.53348	1.0
388.10925	1.1
388.15408	9.3
390.13397	7.4
402.13651	1.0
405.15405	1.3
420.17999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1803
Annotation	Ancistrobenomine A
Peak:m/z	Relative Intensity
51.79311	0.9
63.77998	0.8
67.05482	1.2
69.07068	1.3
74.52235	0.9
76.67318	0.9
84.13533	0.8
86.09647	1.5
90.99047	0.9
95.08631	1.2
107.08598	1.4
121.06591	1.0
121.10168	0.8
132.10127	0.9
174.55370	0.9
182.80002	0.9
192.23315	1.0
253.11166	2.0
292.09695	3.9
303.19913	1.0
304.09720	1.5
315.10977	1.9
317.10428	2.0
320.09253	8.3
321.09906	4.7
330.11438	1.7
334.10651	3.7
335.11389	6.6
336.12216	6.5
344.09494	1.2
348.08630	15.8
348.12390	1.7
349.13113	5.2
360.15997	6.4
362.10187	27.3
362.14130	2.1
376.11646	17.0
376.15649	1.9
388.15491	11.3
390.13284	8.4
397.15277	1.5
405.15530	1.4
413.31583	1.0
420.17981	100.0
420.27396	3.4
430.87823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1803
Annotation	Ancistrobenomine A
Peak:m/z	Relative Intensity
51.69030	0.6
52.38354	0.6
60.38214	0.6
61.69357	0.6
91.05425	0.7
93.07072	0.9
95.47025	0.7
109.06466	0.7
121.06497	0.7
126.48546	0.6
140.98331	0.7
157.06512	0.9
204.06531	1.3
220.72855	0.9
265.85800	0.8
292.09677	7.8
304.09592	1.5
306.07596	2.8
320.09171	14.9
321.09964	19.2
322.10660	1.3
333.10092	1.2
334.10657	12.8
336.12271	81.6
344.09329	1.1
346.07324	5.4
346.10776	1.5
348.08539	1.1
348.12424	3.7
352.15302	0.9
358.10522	4.5
361.09415	3.0
362.10184	3.9
362.14066	1.6
374.13815	1.0
376.11224	8.2
376.15833	10.7
388.15503	1.7
390.09042	0.9
390.13342	12.4
404.15216	10.1
405.15768	11.0
420.18445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49285	0.5
79.01437	0.5
81.07042	0.6
95.04988	0.5
98.07130	0.5
121.06464	0.8
144.14420	0.5
215.72356	0.5
280.28693	0.5
292.09723	1.9
309.81360	0.5
316.09619	1.2
317.10370	2.7
320.09180	8.2
321.09937	3.8
330.11160	1.2
331.12027	2.1
334.10754	4.0
335.11481	6.0
336.12158	5.4
344.08948	2.1
348.08652	14.9
348.12289	1.1
349.09241	0.8
349.13062	3.2
358.10483	0.8
360.15964	6.6
362.10159	23.6
362.13785	1.4
376.11658	15.2
376.15497	1.1
388.15390	8.7
390.13208	6.9
405.15536	1.1
420.17923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.6
57.03436	13.0
57.93485	2.3
58.06609	47.0
59.05003	3.1
67.93553	2.8
69.03432	61.7
70.06609	10.6
73.02915	2.6
76.15263	2.5
78.05917	3.4
83.04976	5.2
83.90955	2.7
85.02904	45.4
87.04471	71.0
87.98874	2.8
91.05479	71.6
91.15517	2.8
97.02898	79.2
99.04444	3.4
105.07014	5.6
107.04932	6.1
111.04441	7.0
112.07601	14.6
115.03928	100.0
119.04956	3.8
119.06535	2.9
121.02848	15.3
121.06510	55.9
122.06013	4.0
126.05532	4.0
127.03916	11.8
129.05463	3.2
133.04964	76.1
137.05988	3.4
139.03978	3.6
140.07019	5.5
145.04979	6.9
147.04367	3.6
150.07628	21.0
177.05452	6.4
191.13840	3.0
205.08751	3.8
223.09679	15.9
229.07062	17.8
230.07439	5.8
246.11249	3.6
259.08044	10.1
281.07944	6.7
282.13370	3.5
284.11392	4.5
293.54877	3.6
295.10159	12.1
296.10403	16.3
307.49289	3.0
339.20438	2.8
352.08029	3.4
384.14432	5.4
387.02151	3.4
402.15594	13.9
420.08359	4.6
420.15268	34.4
425.63019	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	15.1
58.06602	14.1
59.05011	2.8
66.30763	2.2
69.03434	69.7
70.06587	4.1
73.02917	2.1
78.77314	2.5
79.05459	3.5
85.02914	63.6
87.04469	74.6
91.04961	3.1
91.05482	65.3
95.21503	2.4
97.02893	90.9
99.04459	3.9
103.67589	2.3
105.07072	4.0
107.04977	5.3
112.07622	2.3
115.03931	100.0
117.05560	2.6
119.04936	4.2
127.03925	5.2
133.04965	79.5
145.04970	10.9
150.07646	14.6
187.29807	2.5
203.89859	2.8
223.09694	18.0
235.51300	2.4
253.10794	3.3
259.08160	11.1
295.10202	11.2
296.10464	2.5
322.07327	2.9
322.10822	14.1
420.14948	21.7
420.25992	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22931	0.9
53.03948	1.7
53.13046	1.1
54.84591	1.1
56.05034	5.3
58.06592	1.1
64.66778	1.0
69.03408	1.0
71.04987	5.9
74.05680	2.1
74.06081	39.2
75.30531	1.0
76.07642	1.1
81.03408	4.8
83.00502	1.0
86.06065	10.2
88.07629	5.8
97.02879	1.2
97.06525	1.2
99.04446	20.5
124.03954	1.8
128.07042	1.1
138.06548	1.1
151.03902	1.8
153.05414	1.3
156.10295	1.2
170.08139	1.3
180.10167	1.4
184.09703	15.5
188.09225	4.8
200.09134	2.4
206.10281	2.0
226.10767	12.9
244.11705	1.9
245.40822	1.1
268.11731	1.7
273.90762	1.4
279.56699	1.1
286.12848	4.9
304.13876	11.1
322.14966	22.6
384.16443	2.7
402.17407	5.8
420.18985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.9
56.05039	4.0
56.49810	1.0
58.06599	1.4
60.04562	0.9
62.06096	1.0
70.06589	1.1
71.04994	1.4
74.05680	1.6
74.06085	33.2
80.07448	0.9
81.03433	5.4
85.02917	2.1
86.06079	6.7
94.06615	1.1
97.02888	1.8
98.06065	4.7
99.04447	19.9
99.75764	1.0
106.66502	1.0
112.07610	1.4
124.03973	1.2
127.03981	1.3
128.07152	2.0
140.07097	3.9
142.08643	1.8
152.07115	4.8
153.05434	1.3
160.09671	10.7
170.08145	4.3
180.10260	1.6
182.08148	1.8
184.09685	12.8
188.09186	1.7
196.09743	2.1
198.11276	1.1
200.09236	2.0
206.10286	1.4
222.11269	1.2
226.10753	14.3
242.10176	1.1
244.11855	3.8
250.10826	1.8
268.11929	1.9
286.12888	5.0
298.12894	2.0
304.13947	8.1
322.14923	15.2
327.55554	1.1
384.16647	6.0
402.17761	5.1
420.18716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63646	0.5
55.01875	0.6
57.03157	0.6
57.03444	18.0
58.06610	2.6
59.10275	0.5
59.75186	0.6
61.02927	6.7
61.37930	0.6
65.03967	0.9
69.03061	0.7
69.03432	16.9
71.01344	1.2
73.02921	47.0
77.45638	0.6
81.03438	1.1
83.75298	0.6
85.02906	33.0
87.04458	2.7
91.05480	100.0
94.94005	0.5
96.04490	0.7
97.02893	48.5
99.04441	0.8
105.07024	0.8
109.02884	2.8
115.03928	26.2
117.07047	1.2
127.03912	9.5
129.06970	1.0
132.06612	1.0
133.04980	5.8
133.06516	2.5
143.08514	0.6
144.06572	1.0
145.04965	7.9
145.06471	0.9
150.07602	2.9
157.06474	1.1
161.04440	4.8
162.07588	0.8
163.06013	4.6
171.08002	0.9
175.07510	0.9
194.88148	0.6
205.08533	2.6
217.08614	4.0
223.05951	1.4
235.09651	4.6
241.06972	4.2
251.48131	0.7
253.10686	9.3
259.08191	6.2
259.10754	0.8
271.11713	2.8
295.10245	11.0
420.14249	2.2
420.18610	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15807	1.0
67.05503	2.3
69.03433	2.2
69.07055	2.1
79.05473	5.5
81.03440	1.5
81.07067	100.0
85.02905	4.7
87.00826	2.4
93.07053	1.5
93.10030	0.9
95.08607	16.2
96.12245	1.0
97.02903	5.8
99.04440	1.1
101.64359	1.0
105.01880	4.6
109.02879	1.5
109.10175	2.1
112.38173	1.0
121.06528	1.6
127.03921	6.9
127.48054	1.1
137.13263	26.0
145.04968	4.5
174.46127	1.0
181.02908	1.1
231.05086	2.1
249.06058	4.6
249.63608	1.2
275.20047	1.3
278.08194	1.4
284.09348	1.1
306.07614	1.6
320.08856	1.8
321.09982	2.1
322.10324	1.8
336.12357	5.3
376.11823	1.2
404.14658	1.2
420.15106	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25185	0.2
53.03938	0.2
57.65990	0.2
66.70731	0.2
85.36942	0.2
91.05483	1.0
93.07031	1.9
95.04980	0.3
96.07201	0.3
103.05488	0.9
107.04958	0.3
109.17822	0.3
121.06499	100.0
122.06826	1.6
138.09138	29.9
139.09485	0.3
206.53436	0.3
207.07645	0.2
341.28879	0.3
420.18616	0.4
437.10599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25185	0.2
53.03938	0.2
57.65990	0.2
66.70731	0.2
85.36942	0.2
91.05483	1.0
93.07031	1.9
95.04980	0.3
96.07201	0.3
103.05488	0.9
107.04958	0.3
109.17822	0.3
121.06499	100.0
122.06826	1.6
138.09138	29.9
139.09485	0.3
206.53436	0.3
207.07645	0.2
341.28879	0.3
420.18616	0.4
437.10599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25185	0.2
53.03938	0.2
57.65990	0.2
66.70731	0.2
85.36942	0.2
91.05483	1.0
93.07031	1.9
95.04980	0.3
96.07201	0.3
103.05488	0.9
107.04958	0.3
109.17822	0.3
121.06499	100.0
122.06826	1.6
138.09138	29.9
139.09485	0.3
206.53436	0.3
207.07645	0.2
341.28879	0.3
420.18616	0.4
437.10599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69786	0.4
55.05519	0.6
58.06603	1.0
64.40520	0.4
69.03427	1.8
69.07072	7.3
70.06596	100.0
72.14076	0.4
81.03440	2.0
82.06585	0.9
84.08121	0.5
85.02914	3.2
95.50330	0.4
97.02883	2.6
99.04477	1.2
103.95361	0.4
109.02870	6.2
110.06041	3.0
111.11728	2.3
112.07625	3.0
112.95075	0.4
121.06482	0.6
127.03911	6.2
128.07080	9.2
130.08641	22.5
130.14944	0.5
135.09718	0.5
145.05013	1.0
147.30664	0.5
160.07539	0.6
163.03944	0.7
169.03244	0.5
172.09711	0.7
172.28288	0.6
178.08682	1.0
187.06084	2.2
205.06998	0.6
232.11827	1.0
238.10686	0.8
256.11850	3.3
272.50327	0.6
274.12863	12.8
283.08005	0.5
292.13928	1.1
322.10721	2.5
402.17096	0.6
402.25162	5.5
420.12790	1.4
420.16794	2.4
420.25946	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69786	0.4
55.05519	0.6
58.06603	1.0
64.40520	0.4
69.03427	1.8
69.07072	7.3
70.06596	100.0
72.14076	0.4
81.03440	2.0
82.06585	0.9
84.08121	0.5
85.02914	3.2
95.50330	0.4
97.02883	2.6
99.04477	1.2
103.95361	0.4
109.02870	6.2
110.06041	3.0
111.11728	2.3
112.07625	3.0
112.95075	0.4
121.06482	0.6
127.03911	6.2
128.07080	9.2
130.08641	22.5
130.14944	0.5
135.09718	0.5
145.05013	1.0
147.30664	0.5
160.07539	0.6
163.03944	0.7
169.03244	0.5
172.09711	0.7
172.28288	0.6
178.08682	1.0
187.06084	2.2
205.06998	0.6
232.11827	1.0
238.10686	0.8
256.11850	3.3
272.50327	0.6
274.12863	12.8
283.08005	0.5
292.13928	1.1
322.10721	2.5
402.17096	0.6
402.25162	5.5
420.12790	1.4
420.16794	2.4
420.25946	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
57.07077	1.4
66.17457	0.6
67.05507	5.8
69.07070	4.9
79.05495	2.7
81.07057	6.9
83.08633	1.3
91.05489	0.9
93.07043	1.5
95.08601	6.8
97.10169	1.1
98.98457	3.4
103.96848	0.7
109.10151	1.0
112.03962	22.3
135.54987	0.7
140.03424	100.0
155.01018	5.5
156.01392	0.7
211.12297	0.7
221.81113	0.7
223.34734	0.8
267.31192	0.7
296.15866	0.7
320.19955	0.7
338.20694	1.1
420.27454	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41703	0.5
53.39190	0.5
53.81522	0.6
55.05522	4.2
55.05742	0.5
57.07074	1.1
58.44157	0.6
67.05504	5.5
68.72250	0.4
69.07060	3.8
69.56949	0.5
79.05499	1.3
81.07056	6.3
83.08611	3.2
91.05498	0.8
91.13676	0.6
93.07026	2.8
95.08604	5.5
96.85471	0.6
97.10175	0.8
98.98478	3.0
107.08617	0.7
109.10138	1.2
112.03227	1.2
112.03963	22.2
113.05990	0.8
119.08591	1.0
121.10094	0.9
122.02390	0.6
129.91699	0.6
140.03421	100.0
143.98225	0.7
155.01030	4.0
166.04926	1.1
188.61455	0.5
260.32074	0.6
338.20886	2.1
347.36978	0.8
420.27405	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.274
Annotation	ergotaman
Peak:m/z	Relative Intensity
51.69694	0.7
55.05515	3.6
57.07087	1.4
67.05503	8.0
69.07071	5.5
79.05482	3.7
81.07069	6.7
83.08623	4.0
89.82707	0.9
93.07049	1.3
95.04974	0.9
95.08594	6.8
98.98473	8.4
107.08605	1.8
112.03966	20.6
113.93629	0.9
121.10140	1.4
122.10475	1.1
137.05998	1.6
139.65002	1.0
140.03436	100.0
147.44318	0.9
155.01065	12.8
156.01421	1.4
164.98991	0.9
167.66107	1.2
205.08238	1.0
223.21437	0.9
256.32623	0.9
266.25613	6.3
317.17276	2.1
318.17474	11.7
331.00342	1.1
395.52167	1.0
420.27753	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14402	1.6
55.05509	8.8
67.05508	13.5
69.07061	11.1
79.05499	23.9
81.07060	19.5
83.08650	3.6
91.05460	8.7
93.07041	38.1
95.08605	20.2
97.10161	2.1
99.04475	14.2
105.07040	9.2
107.08612	21.9
107.77818	1.8
109.10162	7.1
117.07024	3.6
119.08589	8.7
121.10141	21.2
124.13688	1.7
128.81052	1.9
131.08626	3.2
133.10127	9.6
135.11719	21.5
144.06564	100.0
145.10114	4.2
147.11665	3.7
149.13258	7.3
159.11642	3.6
161.13310	1.8
175.14807	3.7
216.91002	1.9
226.73613	2.0
277.21643	33.7
420.27219	4.1
420.32483	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14402	1.6
55.05509	8.8
67.05508	13.5
69.07061	11.1
79.05499	23.9
81.07060	19.5
83.08650	3.6
91.05460	8.7
93.07041	38.1
95.08605	20.2
97.10161	2.1
99.04475	14.2
105.07040	9.2
107.08612	21.9
107.77818	1.8
109.10162	7.1
117.07024	3.6
119.08589	8.7
121.10141	21.2
124.13688	1.7
128.81052	1.9
131.08626	3.2
133.10127	9.6
135.11719	21.5
144.06564	100.0
145.10114	4.2
147.11665	3.7
149.13258	7.3
159.11642	3.6
161.13310	1.8
175.14807	3.7
216.91002	1.9
226.73613	2.0
277.21643	33.7
420.27219	4.1
420.32483	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45967	1.1
55.01879	1.5
55.05515	2.6
57.03443	13.0
57.07081	17.0
57.10291	1.3
61.02925	1.8
61.31952	1.4
67.05519	14.1
69.07074	15.3
71.08644	2.0
73.55164	1.3
75.04526	1.5
79.05497	2.8
80.99880	1.5
81.07066	23.1
83.04984	5.9
83.08613	6.5
85.06551	16.1
85.06990	1.8
93.07050	12.2
95.08600	20.9
97.06538	13.3
99.08096	1.7
107.08591	10.5
109.10156	14.0
111.08084	2.3
111.11712	1.6
115.07488	1.4
117.04705	2.9
117.05485	52.0
121.10121	6.6
123.11673	3.2
127.47599	1.4
133.10149	5.9
135.11691	34.2
137.13330	1.4
140.10724	1.7
141.09087	1.7
145.10132	3.2
149.13268	5.6
151.11096	1.5
153.12724	15.9
167.14232	2.5
205.19373	1.3
217.14342	7.7
233.19014	2.2
251.20062	22.4
269.21158	8.6
325.23782	5.6
342.14282	1.5
343.24780	24.7
367.24774	3.1
384.26907	1.5
385.25815	100.0
401.48944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89628	1.7
55.05516	9.5
55.06709	1.7
56.07670	2.0
57.03439	10.5
67.05500	20.3
69.03410	2.3
69.07067	14.4
71.04984	2.8
79.05502	15.4
80.49313	2.0
81.03442	2.7
81.07068	35.5
83.05004	4.4
83.08617	10.6
85.06537	3.8
91.05499	17.8
93.07043	31.0
95.04974	2.2
95.08618	21.0
97.06525	8.7
97.10159	5.0
99.08111	2.9
105.07021	14.9
107.08593	29.9
109.06515	4.5
109.10159	14.0
113.06024	2.9
117.07022	4.1
119.08549	18.3
121.06437	5.5
121.10134	16.8
123.08083	3.9
125.05994	2.8
131.08585	14.7
133.10123	17.5
135.08089	3.1
135.11681	23.5
141.05495	2.5
145.10124	11.4
147.11696	11.8
149.09599	2.8
149.13275	5.0
153.12674	2.7
159.11732	11.0
163.11136	2.6
173.11804	3.8
173.13193	3.8
175.14856	2.8
199.14873	2.7
201.16429	2.3
203.14372	2.7
214.03183	2.4
219.17488	2.4
229.14226	15.8
235.16940	3.3
244.01404	2.4
257.19049	4.7
265.17892	3.1
269.17496	12.8
275.20084	14.1
292.09665	10.5
293.17419	4.0
307.08557	5.2
309.20572	60.9
311.18427	8.4
319.08307	9.4
320.09198	16.3
321.10114	20.3
322.10654	40.3
334.10779	31.3
336.12308	44.6
349.23706	24.5
367.21005	15.1
367.24823	14.9
385.22162	13.1
386.13837	13.2
387.14661	3.6
402.17023	23.3
405.96494	2.3
420.18335	100.0
420.27222	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31412	2.7
55.01885	3.7
55.05517	18.1
57.03443	13.9
58.06603	5.6
67.05513	58.9
69.03435	7.2
69.07063	23.9
70.80745	2.8
71.04996	5.4
79.05486	41.4
81.03417	2.7
81.07060	69.9
83.04974	6.6
83.08633	15.6
85.06541	11.8
91.05482	29.5
93.07040	70.2
95.04966	12.3
95.08607	50.3
97.06527	16.6
97.10162	5.6
99.08084	12.3
105.07057	28.7
107.04977	11.6
107.08589	41.0
109.06499	6.7
109.10143	49.7
111.08081	6.2
112.40427	2.9
117.07008	17.5
119.08569	43.4
121.06502	22.9
121.10145	35.1
123.08071	5.3
123.11716	5.1
125.09634	6.0
129.06990	3.1
131.08588	24.2
133.10109	47.3
135.08025	7.1
135.11700	22.8
137.09589	7.5
143.08527	5.1
145.10118	16.3
147.11682	26.5
149.09634	6.6
149.13246	19.6
149.20576	2.6
151.11304	3.7
155.08540	3.8
157.10118	11.7
159.10526	2.7
159.11647	31.3
161.13237	5.7
167.06966	3.1
173.11746	21.7
173.13217	9.9
177.12764	18.5
179.14249	7.2
195.13823	6.4
199.14763	2.9
205.15939	4.2
217.15900	4.4
229.14293	63.1
239.17943	3.3
257.19052	6.0
267.15942	3.5
269.17465	85.0
275.20087	32.5
292.09546	6.7
293.21085	12.3
307.08325	11.6
309.20590	90.2
319.08282	5.2
320.09174	19.2
321.09988	24.3
322.10706	78.2
334.10800	20.0
336.12271	68.6
349.23795	62.4
360.12366	5.1
367.21045	3.2
367.24835	40.9
386.13953	5.5
388.10120	6.2
402.16904	14.2
420.18781	100.0
420.27429	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3105
Annotation	8-Ethoxysachaconitine
Peak:m/z	Relative Intensity
57.07080	2.6
59.52682	1.2
60.01280	1.4
67.05510	1.8
69.07067	1.5
69.39154	1.5
71.08635	2.1
81.07066	2.6
83.08670	1.8
91.05473	6.4
95.08625	2.9
119.04942	8.9
123.04444	16.7
125.19855	1.9
134.48755	1.6
136.07585	100.0
140.10704	1.8
142.08662	1.9
147.04404	8.5
152.69264	1.6
161.47260	1.8
165.05479	49.6
182.08133	61.7
337.22455	3.4
345.46771	1.5
420.30832	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36660	1.4
51.71453	1.2
54.52617	1.3
55.05521	2.3
55.76745	1.1
56.05030	2.9
57.07073	1.5
58.06599	5.4
60.04514	3.1
63.74480	1.2
67.26108	1.2
69.07062	3.2
70.16689	1.1
71.08632	1.3
74.02431	1.4
74.06084	19.4
81.07057	3.5
84.04492	2.0
86.06058	6.4
88.03977	9.4
88.07612	2.0
93.07014	2.7
93.55009	1.3
95.08632	2.3
98.06066	3.5
102.05550	2.6
109.10169	2.0
116.07094	35.9
118.04999	15.1
118.08633	7.9
120.06580	2.1
134.47722	1.5
144.06544	8.0
155.01044	2.2
162.07617	25.8
176.00525	1.7
210.22942	1.4
270.59891	1.5
282.27664	2.3
298.96213	1.5
320.91083	1.7
322.10803	2.4
338.30396	2.7
356.31232	2.5
386.18985	1.6
402.32080	5.4
420.21561	6.4
420.33151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59422	1.6
57.06835	1.7
57.07085	34.2
58.33136	1.4
58.84501	1.2
69.07077	2.0
76.02824	1.5
82.97955	1.6
85.06537	16.8
89.97089	1.6
94.06570	2.8
102.74918	1.6
107.08585	2.6
108.08183	2.6
135.11768	2.0
152.14330	9.9
164.14343	9.3
179.10657	3.6
248.20030	18.1
251.92706	1.7
266.21149	2.0
280.22678	2.2
318.27930	64.4
322.10715	2.6
336.28979	69.4
358.35870	8.3
420.34622	100.0
420.39252	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67265	0.8
57.03459	1.4
58.06603	4.1
67.33954	1.0
69.03433	5.4
70.06585	2.0
71.06924	1.3
85.02919	4.4
86.03256	1.0
86.09708	1.4
87.04465	5.1
88.04797	1.5
91.05490	9.3
92.05807	3.6
92.54576	0.8
97.02905	6.3
98.03214	2.0
99.04470	2.0
115.03930	9.0
116.04263	1.7
120.08045	1.0
120.78490	0.8
127.03904	1.1
129.79364	0.9
133.04977	8.6
134.05290	1.5
150.07510	1.3
154.92319	0.8
164.79561	0.8
196.73953	0.9
199.53973	0.9
262.87048	0.9
271.98108	0.9
290.08136	1.3
306.07590	6.4
308.08710	1.3
318.07465	1.8
319.08456	10.8
319.26874	1.2
320.09161	5.4
323.10672	10.6
334.07068	100.0
334.10788	23.7
348.08572	4.9
360.08575	1.5
361.12009	1.0
376.08072	29.7
403.12955	4.5
404.07651	74.8
421.09882	7.2
421.14914	18.8
421.26202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41566	0.8
69.03415	0.9
74.06066	1.3
84.08144	1.3
85.02905	1.0
86.09691	1.9
97.02840	1.2
99.04414	1.4
110.06014	1.1
124.56116	0.9
136.06163	1.1
155.14362	1.0
157.97192	1.1
246.58920	1.1
276.26440	1.3
282.31372	1.1
287.79016	1.0
323.15494	1.3
356.10114	1.0
421.11014	100.0
421.17105	3.8
421.19345	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40762	1.1
56.79356	0.9
57.78448	0.9
70.71072	1.0
84.53992	1.1
90.05824	1.0
102.94473	1.2
122.50417	1.1
149.32018	1.1
290.08105	8.8
302.08405	2.0
304.06107	7.5
307.08340	1.7
308.08694	4.7
318.07617	10.6
319.08371	45.7
321.09360	1.5
322.10583	17.6
323.11020	51.9
334.10748	84.5
337.12582	1.3
342.07645	6.2
359.10278	5.1
370.07016	6.9
371.07590	1.6
373.08044	5.1
386.10068	10.4
387.09811	12.3
388.10733	6.4
403.12897	9.8
421.14090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40762	1.1
56.79356	0.9
57.78448	0.9
70.71072	1.0
84.53992	1.1
90.05824	1.0
102.94473	1.2
122.50417	1.1
149.32018	1.1
290.08105	8.8
302.08405	2.0
304.06107	7.5
307.08340	1.7
308.08694	4.7
318.07617	10.6
319.08371	45.7
321.09360	1.5
322.10583	17.6
323.11020	51.9
334.10748	84.5
337.12582	1.3
342.07645	6.2
359.10278	5.1
370.07016	6.9
371.07590	1.6
373.08044	5.1
386.10068	10.4
387.09811	12.3
388.10733	6.4
403.12897	9.8
421.14090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.139
Annotation	9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Peak:m/z	Relative Intensity
54.42571	0.3
55.05311	0.3
58.17305	0.3
65.20498	0.3
71.66309	0.3
72.87733	0.3
75.60478	0.3
108.17823	0.3
123.49452	0.4
174.47049	0.3
174.75082	0.3
175.96829	0.3
181.38576	0.4
290.08118	9.7
302.08078	2.1
304.06012	9.6
318.07605	12.8
319.08389	42.9
334.07260	5.1
334.10718	100.0
335.11005	1.4
350.79547	0.4
376.07938	0.8
404.07724	3.7
421.14001	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82782	0.6
72.97360	0.6
84.98559	0.6
273.48846	0.6
290.08112	10.2
302.08142	3.0
304.06061	11.2
315.07813	0.9
318.07599	13.2
319.08420	54.5
334.10736	94.9
342.07574	10.4
344.09076	0.7
356.05518	1.0
359.10303	6.7
370.07126	9.5
371.07373	7.7
373.08234	6.7
386.10260	10.3
387.09747	22.0
388.10394	8.4
403.12836	14.1
421.13937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1644
Annotation	Pomiferin
Peak:m/z	Relative Intensity
53.64882	0.5
69.79548	0.6
73.51438	0.6
109.44330	0.8
123.03030	0.7
173.02193	0.7
186.11378	0.7
191.03424	3.6
191.43629	0.8
192.40857	0.7
201.05457	1.7
219.06709	1.0
237.36205	0.8
280.07248	1.0
283.05862	0.9
291.10065	0.9
295.06485	1.9
295.09680	9.2
297.11340	3.2
311.05511	10.1
319.09818	2.9
322.89923	0.8
323.05566	4.3
323.09235	7.9
332.06732	9.2
336.06277	0.9
337.07001	1.4
337.10693	5.3
347.09213	5.4
350.07819	5.2
365.10205	100.0
421.16473	75.9
421.28549	1.2
421.34152	3.8
431.89944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.3
68.33778	0.2
69.47089	0.3
76.71206	0.2
107.62620	0.3
108.99194	0.3
119.95341	0.2
120.08065	0.5
133.10201	0.2
141.71460	0.3
294.11234	10.9
306.11285	2.1
308.09103	4.2
322.10721	12.0
323.11508	33.6
338.13846	100.0
421.14377	2.2
421.18225	1.0
421.22742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.3
68.33778	0.2
69.47089	0.3
76.71206	0.2
107.62620	0.3
108.99194	0.3
119.95341	0.2
120.08065	0.5
133.10201	0.2
141.71460	0.3
294.11234	10.9
306.11285	2.1
308.09103	4.2
322.10721	12.0
323.11508	33.6
338.13846	100.0
421.14377	2.2
421.18225	1.0
421.22742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.03467	1.9
56.05024	1.9
57.52234	1.4
60.88780	1.4
70.06617	2.3
74.06091	5.7
81.03413	16.5
85.02896	2.8
86.06086	2.9
90.05554	10.4
94.06590	2.1
97.02883	2.8
98.06050	10.7
99.04446	20.1
109.02848	2.7
109.06517	9.5
110.06055	2.9
111.04431	2.8
116.07096	6.1
122.06014	8.4
124.03967	2.5
124.07562	6.7
125.04748	9.1
126.05514	2.3
127.03907	10.4
134.06009	3.2
136.07570	100.0
140.06998	2.6
144.06523	5.5
145.07335	18.2
148.07521	2.3
152.07056	43.2
154.11043	1.7
161.09119	5.3
164.07042	2.0
166.08508	1.6
168.06477	2.5
170.08092	12.0
177.10208	7.5
180.06503	9.2
188.09103	3.0
198.07567	18.6
203.05774	3.3
205.09732	3.9
223.10817	13.7
239.10220	6.4
251.10223	61.8
269.11343	8.0
287.12662	2.3
303.09225	3.6
304.13992	11.2
305.09100	15.1
323.09735	2.9
323.15323	2.9
367.14981	26.2
385.16031	61.2
403.17502	12.2
421.10977	33.1
421.18335	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1856
Annotation	Tripterygiol
Peak:m/z	Relative Intensity
58.78127	0.9
64.43173	1.0
68.51504	1.0
79.05496	1.4
91.05489	1.6
95.04979	1.6
107.04947	6.9
112.32841	1.1
115.05444	1.2
121.06495	1.6
121.45312	1.2
123.04403	17.9
125.06013	2.6
131.04929	1.4
140.04712	4.4
145.06494	4.5
149.05988	1.7
151.07567	1.5
153.05466	4.4
159.08069	1.9
161.05969	5.2
163.07515	1.6
167.07021	100.0
173.06021	1.6
175.07457	1.6
178.06311	2.0
179.07031	1.9
181.08577	7.5
183.06505	40.2
187.07483	2.1
188.38165	1.2
190.06374	1.8
191.07166	5.3
193.08543	10.8
205.08635	2.7
217.08548	2.1
219.10207	1.9
221.09599	1.5
223.09593	4.4
231.10152	1.5
233.09746	1.6
233.11774	6.7
249.11215	5.5
261.09317	1.3
265.08441	1.3
277.08252	1.3
278.08124	5.8
302.13846	1.3
320.09128	2.5
321.09985	6.8
322.10327	5.0
330.20212	1.3
336.12289	2.4
337.12622	8.0
339.11938	1.7
353.13953	2.0
361.16379	11.1
368.14426	1.2
371.14890	8.3
403.12823	4.3
403.17450	9.5
421.14526	2.2
421.18759	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.2
58.06597	0.9
59.49456	0.6
60.04516	0.8
61.04061	1.1
70.06597	1.2
71.82798	0.7
72.08169	0.9
73.05280	0.8
73.78352	0.8
74.06081	19.1
84.04503	3.0
84.08130	1.4
85.02911	1.2
86.09710	100.0
98.06037	1.5
101.07131	1.9
101.85882	0.7
106.05013	1.0
112.07613	8.1
112.11251	3.9
113.07137	0.9
127.03922	4.4
129.10284	1.5
130.08640	49.4
141.06604	11.2
143.11847	1.0
157.09744	10.7
157.23874	0.8
159.07542	1.1
167.08153	1.2
169.13286	1.2
173.21867	0.7
175.10779	19.1
185.09206	29.0
187.14423	13.2
189.56204	0.8
197.12898	1.4
201.12341	3.6
203.10254	13.7
215.13969	1.4
219.13388	33.4
226.15489	4.4
240.88902	0.8
298.17609	26.7
316.18668	7.0
320.18176	1.2
359.18848	1.5
403.21643	6.6
421.17447	2.6
421.22818	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96429	2.4
55.05521	5.3
56.05043	3.3
57.07076	5.9
58.30204	2.4
67.05511	7.0
69.07070	4.2
69.17252	3.0
71.08611	3.2
79.05489	5.7
81.07074	15.3
83.00867	3.0
93.07016	7.3
94.70030	3.3
95.08634	23.3
97.10185	18.3
98.98483	7.1
104.14802	3.6
105.07044	3.4
107.08588	5.9
109.10162	5.4
131.08568	6.7
135.08046	4.4
135.11678	3.5
140.10721	49.5
155.01041	13.7
157.13362	37.1
168.85654	3.7
261.22159	5.2
403.32114	17.0
421.25494	100.0
421.38184	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48414	0.6
55.05520	0.8
57.03439	4.8
57.07091	5.1
61.00140	0.7
64.65453	0.5
67.05517	1.6
68.65028	0.7
69.07063	1.5
71.08630	4.7
81.07067	3.1
83.08598	0.7
85.10179	1.1
95.08612	1.5
98.98470	72.5
104.56651	0.6
109.10180	1.3
116.99505	1.2
126.20979	0.6
127.01559	1.1
155.01042	100.0
183.04175	94.0
201.12657	0.7
201.14546	0.7
205.68219	0.7
234.59691	0.8
282.26926	0.7
297.46390	0.7
380.26205	1.0
421.28610	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62716	1.7
53.97145	1.6
54.80694	2.0
55.01879	2.0
55.05519	2.2
57.03428	3.4
57.07086	20.6
67.05493	10.5
69.07058	8.2
79.05473	3.9
81.07049	13.1
83.04968	2.2
83.08612	3.8
85.06538	10.7
91.05466	2.3
93.07033	10.3
95.08605	12.6
105.07017	3.7
107.08598	11.5
109.06490	8.4
109.10181	9.3
115.61980	2.0
119.08542	5.1
121.10091	4.3
123.08054	3.6
133.10078	4.2
135.08038	23.4
135.11688	3.3
137.05969	10.0
145.10141	2.3
147.11667	3.0
149.09610	5.0
149.19456	2.2
161.09512	2.1
161.13275	4.0
165.12654	2.1
177.12720	10.1
179.14369	3.0
207.13808	5.0
267.26193	2.6
319.26050	2.9
320.24582	3.4
341.26465	11.7
347.25803	30.4
362.25156	2.9
365.26733	4.0
376.32996	2.2
380.26505	2.6
393.29929	2.3
407.56638	2.2
421.29395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.05510	3.7
57.03433	6.6
57.07073	6.3
57.29457	1.9
67.05503	14.1
69.07069	15.0
71.08638	3.4
78.87448	2.5
79.05492	10.4
81.07074	21.7
83.08627	5.0
85.06561	3.9
93.07037	16.9
95.08618	23.1
97.06542	6.5
100.54505	2.6
105.06995	5.1
106.52979	2.7
107.08607	24.0
109.06490	6.0
109.10175	13.0
119.08595	3.6
121.10145	12.4
123.08091	5.1
123.11618	2.9
126.10265	3.6
129.93744	3.0
133.10132	2.8
135.08060	18.3
135.11687	16.8
137.06035	9.3
137.09651	2.7
149.13263	3.8
153.12685	4.1
165.12738	4.8
166.29596	2.5
177.12782	13.7
179.14371	4.3
185.05669	2.8
217.52509	3.0
251.33098	2.9
263.16653	3.5
273.62708	2.8
277.21567	3.7
305.24738	32.0
319.26422	5.2
320.24167	15.6
326.45303	3.0
329.24689	3.5
338.25391	15.1
347.25723	42.8
362.25363	18.5
365.26834	9.7
380.26578	9.2
393.29578	3.5
421.24176	4.7
421.29541	100.0
421.34979	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45227	2.4
51.59817	2.4
53.13488	2.1
55.05516	6.6
55.39953	2.2
57.03448	2.8
57.07074	11.4
57.40749	2.3
67.05501	14.7
69.07066	16.2
71.08639	3.8
79.05487	5.5
80.64383	2.7
81.07053	19.3
83.08598	10.9
85.06554	4.0
87.04402	2.7
91.05476	5.9
93.07051	15.5
95.08614	19.1
97.06537	3.8
107.08591	16.2
109.06529	12.3
109.10175	6.4
111.04456	2.7
119.08569	4.7
121.10169	5.4
123.08068	4.6
125.05968	2.8
133.10139	4.8
135.08025	11.8
135.11676	13.7
137.05981	11.8
145.10074	2.8
147.11763	4.0
159.11751	3.5
161.38040	2.9
165.12784	3.6
177.12761	12.8
181.12312	4.9
305.24634	30.7
319.26370	6.9
322.10461	2.8
347.25800	49.1
365.26855	4.3
393.29837	4.2
421.29404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
55.57561	0.9
56.05037	5.5
57.07080	2.4
59.65250	0.9
63.06152	0.9
67.05499	4.4
69.07057	2.3
71.08640	1.3
73.68799	1.1
79.05501	1.6
81.07056	7.1
85.34792	1.1
95.08612	25.1
97.10152	18.4
98.98469	1.9
109.10133	1.9
112.11233	2.5
114.19598	1.1
114.32573	1.1
122.09657	4.5
123.08060	7.5
135.08011	1.8
136.07576	6.1
137.07936	2.3
140.10699	100.0
155.01021	7.4
157.13353	75.7
157.14674	1.4
165.05470	2.2
182.08099	4.1
183.08388	1.4
298.96793	1.2
421.29132	4.0
421.38251	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34353	0.9
69.03432	1.2
73.77646	0.8
206.69876	1.1
265.18469	1.1
290.08081	1.1
302.08014	1.2
304.09586	4.3
314.08127	10.4
316.05820	1.8
318.07541	1.7
319.08359	4.1
320.09140	5.8
324.12201	1.5
330.07556	8.1
332.09024	4.1
334.10544	7.3
336.04880	2.0
342.07608	61.9
360.08627	100.0
392.05984	4.3
404.07626	86.3
406.07565	1.6
422.08246	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89576	0.6
59.27501	0.6
59.47542	0.6
63.13043	0.6
67.64985	0.7
129.39201	0.7
163.05399	3.1
190.06471	1.5
191.07246	1.7
204.07985	0.9
206.05978	1.1
219.06786	0.9
231.18669	0.8
235.06133	1.2
244.64148	0.7
250.11488	1.6
263.05722	0.8
278.08014	6.5
290.08081	10.0
292.09579	3.5
302.08020	3.6
304.06110	11.7
306.07434	0.9
318.07626	17.0
319.08350	55.2
320.09225	15.5
321.09775	1.0
322.09955	1.7
334.10715	100.0
422.12225	45.8
422.24771	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82153	0.3
62.98697	0.3
89.23560	0.4
100.65372	0.5
121.06605	0.9
149.43149	0.5
151.62825	0.4
189.48767	0.5
190.05014	0.4
278.08102	3.4
291.08942	3.0
292.05789	0.6
306.07629	14.9
307.08417	3.8
316.09842	1.5
317.06848	0.8
318.07559	3.4
319.08463	1.7
320.05530	20.9
321.09863	1.7
322.07239	0.6
322.10419	3.0
328.09671	0.7
330.07767	0.8
334.06992	3.2
335.07880	22.3
336.08401	0.6
344.09326	3.6
345.10156	1.3
350.10223	100.0
360.12296	3.1
364.07938	0.6
378.13403	2.5
404.11185	0.9
422.06400	1.6
422.12225	22.7
422.18427	1.1
422.25772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89576	0.6
59.27501	0.6
59.47542	0.6
63.13043	0.6
67.64985	0.7
129.39201	0.7
163.05399	3.1
190.06471	1.5
191.07246	1.7
204.07985	0.9
206.05978	1.1
219.06786	0.9
231.18669	0.8
235.06133	1.2
244.64148	0.7
250.11488	1.6
263.05722	0.8
278.08014	6.5
290.08081	10.0
292.09579	3.5
302.08020	3.6
304.06110	11.7
306.07434	0.9
318.07626	17.0
319.08350	55.2
320.09225	15.5
321.09775	1.0
322.09955	1.7
334.10715	100.0
422.12225	45.8
422.24771	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87912	0.2
54.54034	0.2
56.62925	0.3
60.91043	0.3
72.98615	0.3
133.86418	0.3
150.04790	0.3
165.01611	0.3
190.97990	0.3
275.09338	0.4
287.09262	3.6
288.10428	0.4
289.11005	0.7
290.11673	1.2
301.10843	0.6
302.08322	0.4
303.08972	2.8
315.08832	1.8
315.71487	0.3
316.09793	0.5
317.10544	1.3
318.07599	8.8
318.11301	2.8
320.09262	0.4
330.07578	1.6
331.08273	0.9
332.09113	5.8
333.09940	0.5
336.12256	0.5
343.08365	9.2
344.09198	1.6
345.05713	0.4
345.09958	15.7
346.07019	8.2
346.10767	24.7
347.11395	0.4
348.12192	1.2
360.08658	2.1
361.09433	47.9
376.11789	100.0
394.13123	0.4
404.11270	26.6
422.11816	2.6
422.19467	0.5
443.99402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01458	0.9
70.77342	0.9
86.09711	18.5
106.33998	0.9
120.08094	1.8
165.07037	1.3
167.07011	1.5
191.07358	4.5
205.86078	1.3
235.06262	1.2
239.13826	1.5
252.73033	1.1
278.08118	9.0
279.17065	2.4
292.09689	2.4
304.95334	1.0
306.07629	15.4
318.07663	1.7
320.05463	6.9
320.08990	2.1
321.09970	1.6
334.07074	8.4
335.07828	40.6
336.12259	6.5
342.07626	1.3
344.09149	1.7
345.09769	1.7
350.10233	100.0
360.12152	1.8
386.10135	4.3
404.11279	2.5
422.12259	59.9
422.24612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01458	0.9
70.77342	0.9
86.09711	18.5
106.33998	0.9
120.08094	1.8
165.07037	1.3
167.07011	1.5
191.07358	4.5
205.86078	1.3
235.06262	1.2
239.13826	1.5
252.73033	1.1
278.08118	9.0
279.17065	2.4
292.09689	2.4
304.95334	1.0
306.07629	15.4
318.07663	1.7
320.05463	6.9
320.08990	2.1
321.09970	1.6
334.07074	8.4
335.07828	40.6
336.12259	6.5
342.07626	1.3
344.09149	1.7
345.09769	1.7
350.10233	100.0
360.12152	1.8
386.10135	4.3
404.11279	2.5
422.12259	59.9
422.24612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84300	0.8
75.34866	0.8
81.07047	1.5
92.20964	1.1
98.09388	1.0
101.66682	0.9
114.06474	1.0
121.06474	1.2
156.62613	1.3
173.04764	1.1
174.05496	9.9
176.07063	1.4
188.03464	3.5
190.04982	6.1
275.06528	0.9
292.09583	3.5
301.85083	1.0
316.09702	1.4
320.09097	9.3
321.09940	7.9
332.09247	1.2
333.09845	1.4
334.10599	6.9
336.12271	42.1
344.09387	1.5
346.06964	1.5
348.08554	10.9
360.08740	1.7
361.09247	3.5
362.10226	4.1
364.07983	5.7
378.09726	4.6
388.07956	1.0
392.07257	1.3
404.25470	1.1
406.09293	1.7
422.12277	100.0
422.19415	18.1
437.94278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41181	1.2
57.83931	1.3
60.34964	1.3
60.58110	1.2
69.07057	1.6
92.21554	2.0
95.08562	1.5
189.09106	2.3
233.54214	1.7
237.42856	1.6
287.09424	2.7
318.07547	9.4
318.11154	2.7
320.08957	5.5
324.12149	6.0
332.09131	6.3
334.10678	3.4
336.12241	2.1
343.08264	8.1
345.10013	15.3
346.06982	8.6
346.10745	26.0
352.29105	1.5
361.09412	49.7
376.11810	100.0
390.05859	10.3
404.11282	28.1
422.15530	8.1
422.20044	3.5
422.24860	3.3
422.30771	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69473	0.3
56.83783	0.3
63.00719	0.3
80.32311	0.3
90.46977	0.3
92.47993	0.3
96.55440	0.3
119.47138	0.3
140.04881	0.4
167.07007	0.4
171.71057	0.3
185.28236	0.4
191.07318	0.7
249.07846	0.4
263.05710	0.6
278.08176	2.7
279.08838	1.8
290.07980	0.4
294.07553	0.4
305.06555	0.4
306.07614	14.0
316.09744	0.7
318.07693	3.3
320.05624	6.4
320.09061	1.0
334.07138	7.5
335.07895	42.1
342.07657	1.5
344.09140	1.4
345.09964	0.7
350.10233	100.0
360.12302	3.1
370.07147	2.0
371.07895	1.9
383.62381	0.4
386.10327	4.5
391.02475	0.3
404.10989	0.6
417.54153	0.4
422.12335	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44046	0.5
55.60632	0.6
59.82278	0.5
79.03619	0.6
94.16076	0.6
110.03689	0.7
124.80025	0.6
137.81342	0.6
144.04414	0.7
147.04367	1.2
166.22800	0.7
173.04707	1.4
174.05481	10.8
175.06303	0.8
176.07019	1.0
188.03450	4.9
190.04933	5.4
216.02391	0.6
218.04529	0.8
265.49500	0.8
291.42703	0.6
292.09402	0.8
316.09647	1.3
318.07651	0.9
319.08475	0.9
320.09189	7.9
332.09143	1.4
334.10846	6.4
335.11310	1.3
336.12204	0.8
346.06967	2.4
348.08823	5.7
360.08749	1.5
361.09378	3.6
362.10294	3.3
364.08209	7.4
376.11932	2.6
378.09683	6.9
379.10333	0.8
388.07703	0.8
389.08987	0.9
390.09964	0.8
392.07547	2.2
406.09116	4.6
422.12323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82153	0.3
62.98697	0.3
89.23560	0.4
100.65372	0.5
121.06605	0.9
149.43149	0.5
151.62825	0.4
189.48767	0.5
190.05014	0.4
278.08102	3.4
291.08942	3.0
292.05789	0.6
306.07629	14.9
307.08417	3.8
316.09842	1.5
317.06848	0.8
318.07559	3.4
319.08463	1.7
320.05530	20.9
321.09863	1.7
322.07239	0.6
322.10419	3.0
328.09671	0.7
330.07767	0.8
334.06992	3.2
335.07880	22.3
336.08401	0.6
344.09326	3.6
345.10156	1.3
350.10223	100.0
360.12296	3.1
364.07938	0.6
378.13403	2.5
404.11185	0.9
422.06400	1.6
422.12225	22.7
422.18427	1.1
422.25772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1445
Annotation	909910-43-6
Peak:m/z	Relative Intensity
52.55173	0.3
54.12489	0.3
55.15445	0.3
56.12341	0.3
58.06612	11.8
64.18009	0.3
65.12460	0.3
66.70579	0.3
67.33482	0.3
70.06593	1.3
71.04992	0.3
74.74252	0.3
81.03455	0.4
81.73441	0.4
85.10093	0.3
95.08617	0.4
97.02856	0.3
99.04465	1.5
112.07574	0.5
116.07085	0.4
118.98249	0.3
127.03911	0.6
130.08641	0.8
136.96060	0.4
144.20297	0.3
162.05504	100.0
260.12558	0.5
316.11880	0.5
404.13477	1.5
422.14362	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01326	0.5
67.77908	0.6
93.09119	0.5
96.47085	0.5
162.13278	0.6
201.94858	0.6
292.09885	0.9
308.09225	0.8
309.09735	0.9
320.09180	100.0
323.11292	1.0
324.12274	9.7
335.07431	0.8
339.14145	6.6
405.08163	1.2
422.16068	28.9
422.21451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82486	0.2
52.24596	0.2
53.15844	0.2
58.42856	0.2
62.89714	0.2
75.81660	0.2
78.60013	0.2
81.99099	0.2
91.33768	0.2
121.40868	0.2
166.43860	0.2
177.29433	0.3
290.08060	0.3
292.09747	2.5
320.09146	100.0
324.12161	0.4
422.15982	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.159
Annotation	Javaberine B
Peak:m/z	Relative Intensity
56.23542	1.0
65.55569	1.0
65.69322	1.0
78.17156	1.0
93.73830	1.0
98.26196	1.1
99.04475	1.8
99.27415	1.0
121.05769	1.2
121.06480	10.1
154.66454	1.1
167.07082	2.5
168.07335	1.9
191.07172	1.4
207.06740	1.4
278.08029	1.6
292.09735	5.4
305.10559	2.2
306.07745	1.7
317.10559	2.6
320.09274	10.2
321.09998	6.3
323.11389	1.3
324.12408	4.6
334.10880	1.6
335.11502	6.0
336.08899	3.1
336.12384	9.5
346.10706	2.0
348.08667	13.7
351.11041	8.9
358.10910	1.4
362.10257	14.7
362.14014	4.8
376.11804	27.2
390.13474	9.1
392.11462	4.7
404.95694	1.5
422.16040	100.0
422.25327	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14871	0.6
62.07495	0.7
63.69693	0.7
84.37434	0.7
92.21472	0.7
92.75181	0.7
97.83463	0.6
103.33598	0.8
127.29721	0.8
139.22363	0.7
150.04651	1.2
163.05444	3.4
165.06918	1.0
179.07324	0.7
183.92630	0.7
190.06526	3.4
191.07280	3.4
204.07970	1.1
205.05197	1.4
219.06776	1.2
220.07466	1.6
237.64159	0.9
248.07265	0.9
249.07762	0.8
263.05698	1.6
278.08051	10.0
279.08463	0.9
292.09842	5.3
312.34711	0.8
318.07538	1.7
320.09164	100.0
328.29434	0.8
336.12158	1.9
422.15921	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01498	0.2
56.89357	0.2
63.13418	0.3
64.83987	0.2
68.91497	0.3
73.92345	0.3
122.60555	0.3
149.56746	0.3
156.37074	0.3
162.88983	0.3
162.90710	0.3
179.88504	0.4
271.14444	0.3
292.09711	1.7
320.09164	100.0
357.82388	0.3
422.16013	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1594
Annotation	Javaberine B
Peak:m/z	Relative Intensity
59.97394	0.4
63.02398	0.6
67.39902	0.5
71.34422	0.4
73.98796	0.5
74.40846	0.5
86.07775	0.5
87.08087	0.5
90.33687	0.5
94.18916	0.5
118.52469	0.5
150.04620	0.6
150.61571	0.5
162.11382	0.5
163.05513	0.8
188.04810	0.6
190.06598	0.8
191.07285	3.5
206.06020	0.8
219.06870	0.9
233.62474	0.6
235.06247	0.8
261.16400	0.6
263.05716	0.7
278.08069	5.4
292.09601	4.8
318.07700	1.2
320.09183	100.0
336.12366	3.9
422.15985	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93473	0.4
64.48878	0.3
71.29136	0.4
75.02304	0.4
85.41438	0.4
121.21797	0.4
163.05411	0.6
178.06346	0.5
190.06424	0.7
191.07179	2.3
192.07809	0.4
195.54625	0.5
204.08057	0.6
215.79630	0.5
219.06749	0.6
220.07552	2.1
235.06116	0.5
236.06822	0.5
237.07773	0.6
248.06927	0.4
263.05783	1.0
265.07227	0.6
278.07947	4.7
292.09653	3.6
309.83832	0.5
320.09164	100.0
321.10074	0.8
336.12366	1.6
393.53970	0.5
422.15976	28.5
429.21201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50081	0.4
85.09476	0.5
90.61453	0.5
97.94013	0.5
119.23128	0.4
275.09317	0.8
278.08057	2.2
292.09686	13.0
304.09750	2.2
305.10037	0.5
306.07532	5.4
320.09158	16.6
321.09952	36.5
336.12283	100.0
350.10345	0.8
422.16077	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82486	0.2
52.24596	0.2
53.15844	0.2
58.42856	0.2
62.89714	0.2
75.81660	0.2
78.60013	0.2
81.99099	0.2
91.33768	0.2
121.40868	0.2
166.43860	0.2
177.29433	0.3
290.08060	0.3
292.09747	2.5
320.09146	100.0
324.12161	0.4
422.15982	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35981	0.2
55.11686	0.3
58.02406	0.2
80.59634	0.3
84.44962	0.3
84.74681	0.3
113.03764	0.4
121.06406	0.5
160.36255	0.3
167.06906	0.4
191.07312	0.4
248.07048	0.4
278.08011	1.5
292.09680	11.1
304.09570	2.1
306.07635	3.2
320.09155	12.9
321.09964	29.0
336.12289	100.0
404.07974	0.5
422.16031	26.8
422.25192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34502	0.2
67.90803	0.2
68.35551	0.2
90.26268	0.2
98.57108	0.3
98.96994	0.3
106.09910	0.3
117.39816	0.2
120.53751	0.3
210.49947	0.3
211.13396	0.4
231.93533	0.3
262.08252	0.3
280.09750	0.5
292.09717	2.8
308.09039	1.1
309.09915	3.2
320.09149	100.0
324.12277	9.4
335.11163	1.2
350.43524	0.3
388.10431	0.4
422.15982	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87686	0.5
64.59342	0.7
70.25722	0.7
72.09478	0.6
73.15308	0.7
77.03905	0.7
80.37026	0.8
142.35881	0.7
150.04630	1.0
165.06702	0.7
190.06570	0.9
191.07249	1.2
204.08093	1.0
219.06891	1.3
254.48042	0.7
263.05994	1.6
263.18427	0.8
278.08054	6.0
279.08173	0.8
292.09534	5.2
306.07495	1.1
318.07544	1.2
320.09174	100.0
321.09967	1.7
336.12253	5.6
422.15982	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.6
57.83661	0.6
58.06585	0.8
72.08138	1.1
89.06036	1.3
98.06073	0.6
100.07623	0.7
104.10741	4.3
130.08720	0.5
132.10207	4.5
143.05362	0.6
176.12827	3.1
278.08115	0.7
286.27423	10.5
292.06134	1.0
306.07660	1.1
307.08282	0.7
318.07883	0.9
319.08594	1.0
321.10150	1.0
322.10718	2.3
330.29959	8.8
334.10703	16.4
351.10947	0.9
360.15991	1.0
376.15366	7.4
378.16965	15.5
388.15497	2.4
390.16843	3.0
391.17905	1.3
392.14792	9.9
404.18436	1.3
406.16537	14.9
407.17230	17.9
422.19623	100.0
422.34818	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1959
Annotation	Lyfoline
Peak:m/z	Relative Intensity
53.64929	0.5
58.06606	2.3
60.08144	0.9
72.08156	1.2
86.06069	1.0
86.09699	3.6
87.04501	0.9
89.06029	3.2
100.07618	2.5
104.10751	13.6
124.99983	2.7
132.10208	7.4
132.66318	0.6
150.06651	0.5
176.12845	5.1
184.07338	5.5
212.48473	0.6
250.16374	0.7
253.54018	0.6
278.08118	0.9
286.27399	17.9
290.08063	0.7
294.07651	0.7
306.07620	1.0
309.09900	1.0
313.81409	0.6
316.28439	0.6
318.07553	0.7
319.08069	0.7
321.10086	1.2
322.10745	2.4
330.06039	0.6
330.29990	14.4
334.10760	17.3
353.84561	0.6
360.15787	1.0
364.15054	1.1
376.15378	7.9
378.17007	11.6
388.15283	0.9
389.16348	0.7
390.16959	3.2
392.14859	10.1
404.33698	1.4
406.16492	14.5
407.17307	14.1
422.19589	100.0
422.30057	4.6
422.34824	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1956
Annotation	Lyfoline
Peak:m/z	Relative Intensity
58.06609	0.6
60.54983	0.4
63.00843	0.5
72.08141	0.5
86.06091	0.5
89.06026	1.0
95.71152	0.4
97.10558	0.4
100.07607	1.0
101.07494	0.5
104.10758	1.9
132.10213	3.0
176.12819	2.6
271.41119	0.5
286.27405	7.6
290.08093	0.9
294.07635	1.0
306.07718	2.7
307.08398	0.6
319.08389	1.0
321.10077	0.9
322.10831	2.0
330.29984	7.3
334.10715	19.3
336.08560	0.6
347.11475	0.8
360.15750	1.1
364.15143	0.6
374.13773	2.1
376.15347	7.1
378.16919	15.2
388.15286	1.1
389.16150	0.7
390.17084	3.5
391.17368	0.7
392.14798	10.1
404.18478	1.2
406.16498	14.9
407.17255	19.0
422.19601	100.0
422.34732	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.196
Annotation	Lyfoline
Peak:m/z	Relative Intensity
57.67780	0.4
59.33481	0.3
61.93984	0.3
66.97745	0.3
67.08871	0.3
81.07071	1.7
81.19132	0.4
95.08598	0.4
133.11229	0.4
136.84151	0.3
137.13254	0.6
152.08307	0.4
153.16832	0.4
173.04709	0.6
174.05493	2.7
188.03395	0.5
190.04984	0.9
292.09592	7.9
304.09750	0.9
306.07584	3.0
320.09167	11.0
321.09967	28.9
334.10541	0.9
336.12283	100.0
348.08536	0.7
362.10175	0.8
364.08047	0.8
378.09634	2.0
388.15167	0.8
404.18832	0.6
406.09457	0.7
407.10086	0.5
422.12357	21.1
422.19568	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67780	0.4
59.33481	0.3
61.93984	0.3
66.97745	0.3
67.08871	0.3
81.07071	1.7
81.19132	0.4
95.08598	0.4
133.11229	0.4
136.84151	0.3
137.13254	0.6
152.08307	0.4
153.16832	0.4
173.04709	0.6
174.05493	2.7
188.03395	0.5
190.04984	0.9
292.09592	7.9
304.09750	0.9
306.07584	3.0
320.09167	11.0
321.09967	28.9
334.10541	0.9
336.12283	100.0
348.08536	0.7
362.10175	0.8
364.08047	0.8
378.09634	2.0
388.15167	0.8
404.18832	0.6
406.09457	0.7
407.10086	0.5
422.12357	21.1
422.19568	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16513	0.6
52.48494	0.5
53.03954	1.5
61.99302	0.6
63.75858	0.7
69.03440	3.4
70.54526	0.8
71.05000	0.8
73.02917	11.1
79.21882	0.6
81.03421	7.4
85.02885	2.7
97.02881	10.3
99.04453	100.0
109.02866	5.3
113.15155	0.6
121.52109	0.7
123.67728	0.7
127.03906	11.9
141.05475	2.8
145.04919	1.4
163.05466	0.9
171.06412	0.7
191.07321	1.3
192.49901	0.7
207.06523	0.7
220.07571	1.2
225.07564	2.7
243.08614	12.3
248.07056	0.8
263.05960	1.5
267.08548	1.2
278.08145	1.4
285.09692	17.3
303.10727	13.3
312.05481	0.7
320.09171	3.4
422.11929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23128	0.8
54.47398	0.7
57.59356	0.9
58.06610	13.5
64.52037	1.1
69.03439	10.3
70.06602	7.6
81.03435	5.4
83.05014	1.1
84.08144	1.4
85.02910	10.4
86.06087	1.9
87.04470	13.4
90.05564	4.8
97.02921	7.5
98.06064	58.7
99.04473	4.7
109.02915	6.9
114.05603	1.5
116.07101	100.0
120.08129	1.5
121.06528	2.4
127.03917	9.9
133.06683	1.0
137.06055	1.1
138.05547	5.0
140.07076	14.7
154.76666	0.9
156.06627	2.0
158.08139	2.0
160.79854	1.0
165.05530	2.5
175.03923	1.2
176.09177	18.6
176.10538	1.2
179.07089	4.7
187.06001	1.4
190.05054	1.9
197.08070	6.9
207.06609	2.0
218.04567	1.1
230.08118	1.2
242.04503	4.8
243.08557	9.2
260.09186	3.4
260.15054	5.2
284.11285	1.2
290.08102	1.1
302.12491	3.6
320.13376	17.9
337.74637	1.2
422.14548	6.4
422.20322	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86450	0.8
55.05536	0.8
56.60642	0.7
58.06606	20.1
63.47292	0.6
69.03432	5.3
70.06585	4.9
70.92392	0.8
71.08732	0.7
72.08169	1.3
81.03425	4.2
83.05020	1.0
84.04498	1.1
85.02897	6.5
86.06058	1.1
86.09699	18.5
87.04480	14.7
90.05560	4.9
96.04516	1.5
97.02888	2.0
98.06054	62.2
99.04476	3.6
102.09157	1.0
109.02887	7.9
112.07581	1.0
113.24302	1.0
116.07085	100.0
119.10713	0.9
121.06509	0.8
123.04427	0.9
125.83381	0.8
127.03915	8.1
132.18645	0.8
138.05563	3.8
140.07076	16.2
145.04935	1.1
147.04404	1.3
156.06531	3.7
158.08116	1.5
162.05460	1.5
175.03900	11.2
176.09178	20.9
183.06519	3.3
187.05974	1.0
207.06497	21.0
260.09155	1.1
302.12393	1.9
303.91199	0.9
306.24374	11.7
319.15900	1.1
320.13348	11.4
338.17273	1.9
369.11499	1.5
387.13086	4.6
390.15469	3.9
404.20035	1.5
422.14917	4.3
422.20258	83.2
422.37354	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23128	0.8
54.47398	0.7
57.59356	0.9
58.06610	13.5
64.52037	1.1
69.03439	10.3
70.06602	7.6
81.03435	5.4
83.05014	1.1
84.08144	1.4
85.02910	10.4
86.06087	1.9
87.04470	13.4
90.05564	4.8
97.02921	7.5
98.06064	58.7
99.04473	4.7
109.02915	6.9
114.05603	1.5
116.07101	100.0
120.08129	1.5
121.06528	2.4
127.03917	9.9
133.06683	1.0
137.06055	1.1
138.05547	5.0
140.07076	14.7
154.76666	0.9
156.06627	2.0
158.08139	2.0
160.79854	1.0
165.05530	2.5
175.03923	1.2
176.09177	18.6
176.10538	1.2
179.07089	4.7
187.06001	1.4
190.05054	1.9
197.08070	6.9
207.06609	2.0
218.04567	1.1
230.08118	1.2
242.04503	4.8
243.08557	9.2
260.09186	3.4
260.15054	5.2
284.11285	1.2
290.08102	1.1
302.12491	3.6
320.13376	17.9
337.74637	1.2
422.14548	6.4
422.20322	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2321
Annotation	6-O-Demethyl-8-O-methyl-7-epi-ancistrobrevine D
Peak:m/z	Relative Intensity
58.25610	0.4
64.44439	0.5
70.79199	0.5
82.08050	0.6
186.99889	0.6
208.29994	0.6
318.11340	2.4
322.14331	5.1
332.12680	7.6
333.09796	1.4
333.13550	17.2
334.14545	1.2
336.08655	1.2
336.12320	21.8
336.16394	0.8
346.14426	7.6
350.10101	1.9
350.13864	12.9
351.14645	23.8
360.15945	0.9
364.11649	1.1
364.15454	26.0
365.15906	1.0
376.19244	1.4
378.16824	6.9
378.20230	1.0
390.20648	14.5
392.18542	16.5
406.20139	4.6
407.20807	4.2
422.23364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2323
Annotation	Ancistrocongoline B
Peak:m/z	Relative Intensity
50.55198	0.5
95.58102	0.7
102.75346	0.9
104.10773	1.5
104.16296	0.7
104.75951	0.8
218.94391	0.8
238.54697	0.9
318.11215	1.7
322.14413	4.6
332.12753	6.3
333.09851	3.0
333.13489	12.4
334.10706	3.0
334.14398	1.6
336.08780	1.5
336.12253	22.1
336.15976	1.4
346.14377	7.3
347.15326	1.1
348.12280	1.6
349.12927	1.1
350.10208	1.8
350.13861	12.2
351.10446	1.0
351.14648	21.7
364.11304	1.4
364.15436	24.0
378.16949	8.1
390.16974	0.9
390.20743	13.3
392.18698	19.8
406.20728	5.5
422.23648	100.0
431.59396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2317
Annotation	Ancistrocongoline B
Peak:m/z	Relative Intensity
50.19152	0.8
60.08154	1.2
68.13033	0.8
73.58489	0.8
86.09695	5.5
86.18163	0.7
92.20909	0.8
98.98498	0.8
104.10738	22.3
124.99989	4.5
130.12820	0.8
184.07301	8.8
197.39304	0.9
318.11221	1.2
322.14392	5.0
332.12790	5.3
333.09875	4.7
333.13596	19.6
334.10611	3.4
334.14362	1.4
336.08627	1.3
336.12286	24.0
339.09686	1.0
346.10602	1.2
346.14392	8.4
350.10104	4.1
350.13849	13.6
351.10910	2.9
351.14694	23.4
357.08386	1.7
360.15704	1.4
364.11703	2.0
364.15463	21.1
366.05844	1.3
376.19156	1.3
378.17044	8.1
384.06821	1.5
390.20840	14.0
392.18802	16.3
399.09299	1.7
406.20044	4.7
407.16714	1.8
407.21286	1.9
422.23737	100.0
422.30035	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71489	1.0
56.05038	2.2
58.06592	1.3
58.07955	1.1
68.22128	1.1
70.06580	1.4
81.03426	16.7
82.06585	40.6
82.07047	1.8
83.04973	1.4
84.04502	2.6
84.08144	100.0
85.02945	1.4
86.09699	8.3
96.04469	4.1
96.08134	4.9
99.04467	1.7
99.05590	2.4
101.07137	1.7
109.88569	1.3
110.06046	8.5
111.04428	4.4
111.16200	1.3
120.77239	1.2
126.05544	2.5
127.03940	2.0
128.07120	2.7
129.10260	1.5
130.05020	7.6
130.08578	1.9
145.06096	2.9
147.07672	1.9
159.36615	1.3
162.09111	2.1
164.10706	9.8
167.15480	1.9
169.87738	1.3
174.09161	1.6
177.03293	1.8
179.11848	7.4
180.10240	5.8
190.08664	1.2
192.10167	2.8
194.11844	1.6
195.14920	34.8
196.13373	2.3
198.11180	1.2
201.08768	1.4
207.11383	4.8
208.06052	2.2
209.12729	1.6
210.11198	9.6
212.12825	1.5
225.08835	2.3
225.12259	15.3
228.12383	7.6
230.13864	6.9
241.15453	38.5
243.17140	5.9
246.13419	2.9
255.17140	2.7
260.19641	1.7
291.20853	1.2
293.84753	1.2
299.50803	1.1
312.58453	1.2
321.18192	2.6
338.17093	8.4
338.20856	26.7
350.17038	1.4
368.17865	2.9
368.21890	5.2
386.19009	4.8
386.23453	9.7
404.24014	16.7
422.16150	3.0
422.25079	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70801	4.2
67.05504	19.7
69.07075	94.9
81.07048	19.3
83.08638	4.7
87.38468	4.7
93.07056	22.0
95.08625	7.3
107.08577	20.2
109.10182	26.2
123.11685	5.8
135.11708	22.2
140.10614	5.4
147.11720	4.5
165.11076	4.6
186.09210	5.2
188.07236	5.2
190.05028	5.9
204.06445	7.7
206.08125	5.4
216.06543	10.8
217.07425	6.5
218.08115	7.2
230.08322	7.5
242.08018	7.6
244.09731	5.6
270.11273	43.5
284.12585	6.0
298.14420	9.7
300.15958	26.8
312.15714	6.8
328.19095	7.3
338.17398	23.2
353.19922	9.1
354.20584	23.9
367.31512	5.3
373.72488	6.4
422.26959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
57.07056	4.2
57.28214	0.8
60.04533	0.7
67.05488	4.3
69.07039	5.4
69.30527	0.8
71.08611	1.6
79.05471	1.4
81.07025	4.8
83.08612	1.6
87.84956	1.0
93.07043	1.5
95.08574	4.4
97.10154	1.5
112.03957	18.9
124.07587	17.0
140.03423	100.0
146.06064	0.8
147.84798	0.8
281.15295	1.1
422.28729	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53223	0.4
55.05519	2.2
57.03427	0.9
57.07070	0.9
58.06600	2.4
58.39711	0.5
66.15370	0.5
67.05501	2.8
69.07064	3.3
74.91629	0.4
79.05493	1.0
81.07051	4.4
83.08631	1.3
93.07013	1.1
95.08595	3.3
97.10192	0.9
98.98470	3.6
105.06975	0.6
107.08607	1.1
107.72616	0.5
109.10159	0.9
111.03326	0.5
112.03967	4.7
117.96838	0.5
119.08559	0.5
121.10136	0.5
124.03951	100.0
132.65474	0.5
136.43723	0.5
140.03433	9.3
144.10229	0.9
155.01028	4.1
159.72908	0.5
177.49739	0.5
181.19803	0.6
183.04172	3.0
280.08737	0.5
422.28970	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93828	0.9
53.64780	0.9
56.05022	1.1
58.06596	1.8
60.08168	7.6
67.05515	1.1
69.07050	1.2
71.07343	1.0
72.08139	2.3
86.06031	1.2
86.09227	1.5
86.09706	28.2
87.04430	1.1
89.06001	5.6
90.06943	1.1
92.20879	1.1
100.07600	1.6
104.10749	100.0
112.07558	1.3
124.99992	19.7
132.10220	12.2
144.47450	1.0
148.09673	1.3
151.78317	1.1
160.01300	1.1
176.12776	6.7
184.07346	35.0
206.08022	1.2
258.14999	1.1
286.27408	24.5
289.30060	1.0
306.07498	1.3
309.09726	1.2
321.09885	2.2
322.10529	1.3
330.29968	23.2
334.10733	20.2
336.12360	2.3
350.13617	1.6
351.14496	2.5
364.15457	2.5
371.00269	1.0
376.15192	6.4
378.16974	13.5
388.14966	1.1
390.16724	3.9
392.14581	8.6
406.16309	16.3
407.17053	15.9
422.19376	96.4
422.29938	38.1
422.34650	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70745	0.9
55.05530	4.5
57.03433	4.3
59.05003	1.6
62.76107	0.9
65.41505	1.1
67.05176	2.1
67.05508	33.0
67.36246	1.0
69.07064	4.9
71.08635	2.2
79.05493	1.9
80.15537	1.1
81.07062	8.9
83.08626	4.9
85.06554	1.2
91.05494	4.4
92.20878	1.4
93.07045	6.5
95.08591	6.6
97.10171	6.7
99.08081	2.2
103.03951	2.5
103.42702	1.0
104.86314	1.0
105.07026	2.1
107.08603	4.1
109.10160	61.8
111.08041	1.6
115.98217	1.1
119.08584	5.2
121.10135	2.0
125.09638	5.7
133.10191	1.4
137.09639	5.4
149.13298	1.1
155.10669	12.4
168.57091	1.2
173.11719	29.3
189.11195	1.4
227.12785	1.7
229.14351	100.0
247.15379	2.3
277.21609	5.1
297.88113	1.3
320.09293	1.3
334.10776	1.9
336.12283	5.3
351.25320	12.3
353.34683	1.3
369.26343	10.4
422.11774	2.2
422.19525	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68098	1.1
55.05511	2.0
57.03431	0.9
58.06607	13.5
59.07388	2.5
60.08170	23.7
64.46408	1.1
67.05508	15.4
69.07061	5.7
71.04987	1.0
71.71609	1.0
79.05502	11.2
81.07063	15.4
83.08614	2.7
85.02892	2.9
91.05479	6.5
91.78883	1.0
93.07048	17.7
95.08600	12.5
97.10187	1.8
105.07046	2.2
107.08578	10.6
109.10149	8.5
117.07071	1.5
119.08602	5.8
121.10118	12.4
129.33485	1.1
130.32272	1.2
131.08566	3.0
133.10165	5.5
135.11700	6.2
144.10229	2.5
145.10109	1.6
147.11714	1.4
149.13307	2.2
162.11244	50.3
162.12527	2.2
223.08441	1.1
318.01886	1.5
339.26196	1.4
363.25439	6.2
422.20071	4.7
422.32693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38810	0.4
56.05038	0.7
57.07071	1.9
58.06595	3.5
69.03413	0.5
70.06586	1.1
71.08647	0.5
72.08141	3.2
73.02924	0.7
77.08322	0.5
86.06049	2.0
87.04479	1.3
89.06024	5.6
91.12569	0.5
96.77008	0.6
100.07612	5.0
104.10736	2.3
107.35799	0.6
109.95512	0.5
112.07576	0.9
115.29865	0.5
116.10740	0.4
121.23902	0.6
123.53540	0.5
132.10220	14.1
148.09651	1.2
176.12814	11.2
189.04990	0.5
209.89549	0.6
210.22203	1.1
212.23743	0.6
226.25319	2.5
250.16455	2.1
254.15941	0.6
286.27399	34.1
330.26129	1.2
330.30035	28.8
334.10815	5.3
376.15311	1.0
378.17050	2.8
390.17120	0.7
392.14954	2.9
404.33829	2.4
406.16479	3.0
407.17276	2.6
422.19556	23.5
422.34744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93374	0.5
54.59583	0.5
55.05090	0.5
56.05038	0.9
57.07087	1.3
58.06594	3.7
59.04991	0.7
63.35138	0.5
64.16971	0.5
67.05507	1.3
68.05004	0.6
69.07078	0.7
70.06585	1.4
71.08683	0.6
72.08163	2.4
72.17534	0.6
79.05504	0.8
81.07052	1.0
81.29144	0.5
86.06077	1.4
87.04479	2.3
89.06023	6.8
93.07032	0.9
95.08590	0.7
98.06057	0.8
100.07635	4.6
104.10769	1.0
105.07010	0.8
112.07610	0.9
117.07027	0.8
118.08604	0.8
119.08565	0.8
132.09097	1.0
132.10185	17.2
148.09692	2.5
176.12823	10.8
182.80791	0.8
210.22202	1.0
226.25348	1.2
250.16406	2.7
254.15898	1.1
286.27399	36.6
330.30008	25.9
368.22815	0.8
386.24246	1.2
404.25101	2.9
404.33963	1.3
407.17075	1.0
422.20129	5.9
422.25592	3.4
422.34741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.0
58.06595	3.5
71.08606	0.6
72.08154	3.8
86.06045	2.4
87.04484	1.6
89.06037	6.7
96.61131	0.6
100.07625	3.7
112.07647	0.9
118.08630	1.2
124.69836	0.6
130.08623	0.8
132.10194	16.1
148.09729	0.7
150.19057	0.6
167.40964	0.6
176.12822	10.3
212.23766	1.1
226.25259	0.9
242.22783	0.7
250.16577	1.2
254.16110	0.9
286.27390	27.5
306.07709	0.9
318.07858	0.7
320.44299	0.7
330.29971	27.9
334.10785	5.0
341.71582	0.7
376.15543	1.5
378.16992	1.5
390.17047	0.9
392.15027	2.7
404.33862	1.1
406.16553	4.4
407.17432	3.5
422.10876	0.8
422.19635	28.2
422.34750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0897
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
53.42694	1.2
64.73846	1.2
84.08167	1.7
86.09695	5.7
91.44957	1.2
94.44803	1.4
96.04495	3.0
107.33373	1.5
123.38166	1.6
164.10683	5.6
171.01028	3.2
172.01384	2.8
196.72585	1.5
209.12117	1.6
210.80574	1.4
212.12674	1.7
226.07011	2.1
230.13940	6.7
261.03586	2.0
339.15506	6.6
387.17621	8.8
388.55917	1.6
405.18890	2.2
423.08954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
94.29448	1.1
94.93013	8.1
96.92831	2.8
102.85275	1.1
102.94653	1.1
112.05064	1.4
117.13348	1.1
180.10207	1.6
208.88466	6.9
212.85216	8.4
228.47707	1.2
234.13469	1.2
248.89630	8.9
250.89482	17.2
288.80685	1.1
422.87238	9.1
423.08975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83496	0.3
64.77952	0.4
99.04461	2.5
121.03378	0.4
144.08069	0.5
144.23451	0.4
166.24881	0.4
172.03917	2.4
173.04727	2.3
174.05531	1.7
176.04677	2.0
186.58969	0.4
189.06625	0.8
190.04974	13.0
191.07034	8.2
215.04510	6.4
215.70033	0.4
216.06519	0.6
219.06616	0.4
220.07471	0.5
234.92151	0.4
235.06088	2.2
278.08203	0.9
280.09543	0.5
281.10114	0.6
288.09039	0.6
303.07684	2.1
307.08328	0.6
308.08646	0.9
315.07645	0.8
315.11020	0.5
316.08676	0.5
316.12015	0.5
317.09143	4.5
318.10196	1.4
319.08139	2.2
320.08862	0.9
323.11099	0.7
329.09247	1.6
330.07504	0.5
331.07147	2.9
331.10522	1.1
332.08328	1.6
333.12463	1.4
334.10904	0.6
335.11038	0.5
336.12335	0.7
337.12650	0.7
343.07043	3.5
345.08713	8.7
346.09518	2.8
347.10257	31.3
348.07480	2.1
349.08084	5.7
352.15262	5.6
358.07028	0.9
361.11871	9.7
362.12680	7.4
363.09677	9.8
364.10495	4.6
366.13135	0.4
371.06689	3.4
372.07324	0.8
373.09189	2.8
375.10019	3.2
380.11404	0.6
387.09631	0.8
391.09277	0.6
407.08524	0.4
423.11835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59946	0.5
53.03946	4.3
69.03421	3.3
71.04978	0.8
73.52464	0.5
81.03405	9.3
82.53509	0.6
85.02885	7.9
97.02873	5.3
99.04433	100.0
109.02835	2.7
111.96359	0.6
113.92085	0.7
117.05466	9.7
120.29894	0.6
127.03885	4.6
145.04953	4.0
188.09154	0.8
217.06357	0.7
243.08572	1.3
261.09549	5.6
269.44635	0.6
320.09000	0.8
392.15787	0.8
423.17648	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71360	0.4
52.70427	0.5
53.03947	3.9
55.01880	0.5
57.03426	0.5
62.06094	0.5
69.03423	3.8
70.06604	1.3
71.05004	0.8
81.03423	10.0
83.04993	0.6
84.08141	0.7
85.02905	8.8
87.04453	0.8
97.02878	7.7
99.04453	100.0
104.07097	0.6
104.97205	0.6
109.02891	4.2
112.07652	0.6
117.05487	11.2
127.03914	5.2
129.10201	0.5
145.04984	3.7
156.07491	0.5
166.96906	0.9
224.97383	0.6
225.07684	0.6
226.08017	0.8
242.98462	7.0
243.08682	1.2
261.09601	6.6
305.08817	0.6
377.02185	2.3
405.01758	0.8
423.02686	2.5
423.15561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
57.58510	0.4
58.63867	0.3
61.02950	0.3
67.72832	0.3
69.03430	2.6
71.04986	0.9
81.03421	9.3
85.02905	6.0
92.20810	0.3
93.79184	0.4
97.02894	5.6
99.04454	100.0
109.02214	0.4
109.02885	2.5
117.05485	10.2
119.64767	0.4
127.03909	4.7
145.04947	3.2
163.07532	0.4
167.07094	2.8
197.06854	0.4
225.07654	0.4
237.82274	0.4
243.08652	1.7
261.09641	5.6
298.39880	0.4
308.09286	0.9
309.09555	2.8
321.09479	2.1
423.16318	1.8
426.41727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71360	0.4
52.70427	0.5
53.03947	3.9
55.01880	0.5
57.03426	0.5
62.06094	0.5
69.03423	3.8
70.06604	1.3
71.05004	0.8
81.03423	10.0
83.04993	0.6
84.08141	0.7
85.02905	8.8
87.04453	0.8
97.02878	7.7
99.04453	100.0
104.07097	0.6
104.97205	0.6
109.02891	4.2
112.07652	0.6
117.05487	11.2
127.03914	5.2
129.10201	0.5
145.04984	3.7
156.07491	0.5
166.96906	0.9
224.97383	0.6
225.07684	0.6
226.08017	0.8
242.98462	7.0
243.08682	1.2
261.09601	6.6
305.08817	0.6
377.02185	2.3
405.01758	0.8
423.02686	2.5
423.15561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
53.44385	0.4
57.03432	0.4
58.06617	0.6
62.06091	0.9
67.50294	0.4
69.03448	3.9
70.06574	0.8
71.04983	1.9
72.09332	0.4
76.79703	0.4
81.03410	9.8
84.08153	0.6
85.02912	10.1
87.04474	0.4
97.02898	8.2
99.04455	100.0
104.88877	0.4
109.02850	3.7
111.04430	0.5
112.07586	0.6
114.27716	0.4
117.05480	10.2
126.05509	0.6
127.03921	6.5
142.46838	0.4
145.04965	4.8
148.95825	0.5
163.05949	0.6
166.96790	1.0
226.07971	1.0
242.98409	6.4
243.08635	1.8
261.09674	5.9
261.12109	1.3
278.73462	0.5
317.33786	0.5
377.02100	1.8
405.14816	0.5
423.02829	2.8
423.14984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20375	0.2
53.20470	0.2
58.06591	0.6
59.37144	0.2
69.03426	0.5
70.06561	1.4
71.04981	0.3
81.03413	1.2
81.25181	0.3
84.04479	0.7
84.08135	0.7
85.02919	0.4
86.09688	2.1
97.02876	1.3
98.05974	0.3
99.02480	0.3
99.04451	5.3
100.83076	0.3
113.98061	0.3
116.07083	0.3
118.06542	1.4
120.08081	0.4
127.03947	0.6
129.10229	0.6
130.04935	0.5
132.10229	0.6
142.04866	0.5
145.07607	100.0
148.07596	0.3
154.12279	0.4
160.09692	0.3
162.05481	2.0
163.03867	0.4
163.05840	1.6
163.08646	10.8
164.10707	0.3
169.08620	0.6
175.07710	0.4
176.07030	0.3
198.11287	1.9
208.06065	2.8
235.08005	0.4
238.06998	0.3
244.11855	1.2
261.14291	0.4
307.16895	0.3
339.15637	1.9
387.17813	2.5
405.18491	2.2
423.17697	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26999	2.2
51.44476	2.4
52.69096	2.5
62.06086	3.9
69.03437	17.3
69.07065	7.0
70.06593	50.5
73.02923	3.3
81.03427	6.2
84.04522	13.1
84.08142	19.6
85.02914	24.1
86.09709	88.3
87.04464	4.5
89.42847	2.7
96.04478	32.2
97.02919	13.8
98.09690	3.6
98.98476	6.0
99.04466	26.7
99.48260	2.7
102.05556	3.7
108.04491	4.9
108.59502	3.3
109.02902	6.8
110.06027	2.6
126.05565	5.8
127.03950	6.7
128.10680	4.9
129.10284	6.0
130.05023	7.0
136.07585	38.3
138.05487	5.4
140.67673	3.5
142.04964	3.7
145.04944	3.0
145.53110	3.0
147.11234	5.8
148.06050	6.9
160.06000	3.2
164.10706	100.0
166.96883	4.0
168.10202	14.1
173.09245	55.5
177.05437	3.4
178.12286	4.5
180.69701	3.5
182.55180	2.8
194.11787	13.7
196.13326	19.1
212.12761	41.9
216.08711	6.5
226.07053	26.0
230.13870	73.1
242.98431	10.7
243.08788	6.7
260.11526	5.8
261.11832	5.6
261.14459	6.5
266.82242	3.3
274.09171	7.1
339.15509	93.3
363.06506	13.0
369.16495	10.8
377.02225	5.0
387.17584	98.9
405.18610	50.7
423.02679	4.9
423.08289	6.2
423.19632	43.9
423.25522	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01449	3.4
57.42794	3.1
57.46967	3.2
58.06603	7.7
58.78511	3.5
64.40717	3.1
66.69907	3.5
69.03429	8.0
70.85925	3.6
81.03416	48.0
84.04492	30.4
84.08139	29.3
85.02892	7.6
86.06054	5.2
86.09699	63.3
86.40059	3.8
88.03965	5.7
92.17200	3.4
96.04473	5.4
97.02887	50.7
98.06037	4.9
99.04461	18.0
109.02928	5.7
110.06048	4.5
111.04449	9.3
114.05542	14.7
121.06524	4.9
126.05524	5.2
126.12743	26.9
127.03943	7.6
129.10226	9.3
130.04996	31.1
132.10188	27.8
134.06046	9.5
136.07512	3.9
142.04997	32.1
147.04419	7.1
148.07576	5.3
154.12271	22.7
155.78912	3.9
162.05444	57.1
162.07568	4.6
163.05826	24.3
164.07082	26.4
166.08664	3.6
169.08580	19.3
176.07086	14.8
180.06544	4.8
182.07848	4.0
192.06647	16.8
194.08099	15.8
198.11234	81.9
200.12856	21.7
208.06039	100.0
228.08687	4.1
234.07643	4.6
238.07129	19.0
244.11789	68.5
274.09409	5.6
293.15057	4.3
323.15753	4.8
339.15482	83.2
351.14966	4.8
359.21567	6.4
369.16580	16.9
387.12964	7.1
387.17630	86.7
405.18671	88.0
423.14651	63.2
423.19724	89.3
423.26004	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
56.06019	0.5
56.70676	0.5
59.72107	0.4
61.28591	0.6
63.02362	0.5
64.86259	0.5
69.06640	0.5
79.05489	1.3
81.07083	0.5
81.40489	0.5
99.04442	1.2
103.05479	2.6
105.07041	3.5
107.04942	6.2
115.05463	0.9
116.75210	0.6
121.06525	1.0
123.04440	2.5
124.05221	2.1
131.04930	6.6
131.08603	0.6
133.06491	4.5
135.08060	2.0
137.05952	3.7
139.21748	0.5
143.06065	0.5
145.06461	2.3
147.04416	1.3
149.06009	0.5
150.04657	0.6
151.07544	2.5
152.04723	0.5
153.05464	0.6
159.08047	1.0
161.05948	6.4
163.05408	2.4
163.07536	10.6
164.04871	0.6
165.07101	0.6
167.07028	100.0
168.07796	0.6
169.06519	0.9
173.06004	0.7
173.09677	0.8
175.07562	3.3
176.06329	0.5
177.05550	2.0
177.09116	2.1
178.06317	0.6
179.07008	1.1
180.00993	0.5
181.08578	3.1
187.07544	3.1
190.06468	2.1
191.07301	5.5
192.07867	2.5
193.08604	15.6
201.09116	1.2
204.08072	0.8
205.05049	1.1
205.08656	1.0
206.05954	0.9
219.10216	1.1
220.07513	2.7
233.11787	2.5
237.11241	2.0
251.12712	0.8
263.05743	2.3
278.08078	6.1
290.08081	0.7
291.08456	3.5
292.09650	2.5
302.51974	0.6
304.06207	0.7
304.09534	0.6
305.06342	2.2
306.07761	0.7
318.07629	2.3
319.08182	8.1
320.08749	20.6
321.09671	1.0
323.12839	1.1
334.10623	5.9
335.11029	37.8
335.15076	1.2
355.15356	6.8
387.18002	3.2
405.18918	2.7
423.12662	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80468	0.4
77.31270	0.5
78.04692	0.9
79.05489	2.0
91.05486	1.1
95.04986	0.5
98.68517	0.6
99.04446	2.0
101.09029	0.5
103.05492	1.9
105.07070	4.0
107.04956	6.9
114.15829	0.5
117.07001	0.5
121.06485	1.1
123.04415	2.4
124.05201	2.2
131.04944	6.9
131.08508	0.7
133.06502	6.2
135.08029	0.8
137.05957	2.9
143.08472	0.5
145.06474	2.5
147.04398	0.9
151.07536	3.5
152.04713	1.1
161.05975	8.7
163.07541	11.1
165.09052	0.6
167.07033	100.0
173.06030	0.9
173.09607	1.1
175.07591	3.1
176.06241	0.6
177.09128	2.1
179.07069	2.2
181.08644	4.8
183.06477	0.6
187.07549	3.2
192.07813	0.8
193.08614	15.0
201.09177	1.2
207.10054	0.6
219.10170	2.5
233.11687	3.2
237.11345	1.0
278.08191	0.7
291.09842	0.7
311.87299	0.5
323.12491	1.1
336.12347	0.6
341.77652	0.6
355.15338	8.1
377.11752	0.7
379.07422	2.3
387.18198	4.0
391.07626	0.6
393.05203	0.9
405.19107	4.2
407.07004	1.8
408.07904	1.0
423.11151	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82800	0.7
66.66914	0.6
71.26319	0.6
74.54073	0.6
79.05498	3.3
80.17419	0.7
83.43694	0.7
90.90468	0.7
103.05476	1.4
105.07010	4.0
107.04959	7.9
109.02955	0.7
109.19944	0.8
115.05440	1.3
121.06480	1.3
123.04433	1.3
124.05183	1.2
130.43822	0.7
131.04930	6.5
133.06493	4.4
135.08096	1.2
137.06056	1.8
145.06459	2.6
149.06052	0.8
151.07555	3.7
152.04706	1.2
159.08063	0.9
161.06009	8.2
163.07512	9.8
167.07031	100.0
173.09636	1.4
175.07559	1.0
177.09172	0.7
179.07079	2.9
181.08528	5.2
187.07565	3.4
189.09172	0.7
191.07277	1.2
193.08606	15.2
201.09271	0.9
219.10196	1.9
233.11685	3.2
253.04369	0.9
263.10791	0.8
278.08044	1.6
320.09006	1.4
321.09558	1.8
322.10373	0.9
336.12064	1.0
337.12683	1.5
352.15408	1.0
355.15314	8.2
377.11545	0.8
387.09546	0.8
387.17844	5.2
405.10919	1.5
405.19016	4.2
406.25989	0.8
407.06903	1.8
423.11771	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.88178	4.3
52.66140	4.9
55.01866	5.3
55.05513	24.8
57.03436	7.1
57.07081	5.6
67.05514	71.9
69.03429	37.3
69.07072	21.5
70.25948	4.6
71.04984	7.7
79.05497	47.4
81.03426	34.8
81.07063	100.0
83.04966	6.1
83.08647	12.4
85.02888	24.7
89.82304	4.8
91.05476	37.9
92.21505	7.6
93.07040	75.8
95.04955	8.9
95.08598	70.2
97.02905	11.5
97.10184	6.6
99.04474	7.1
105.07036	52.1
107.08600	46.7
109.02914	6.4
109.06443	7.6
109.10173	24.3
117.07013	27.4
119.08558	52.0
121.10154	56.7
123.11644	9.3
127.03962	7.8
129.06947	8.5
131.08560	31.2
133.10139	38.4
135.11690	28.6
143.08525	10.3
145.10123	32.8
147.11696	37.7
149.13210	8.2
156.48398	6.0
157.10086	12.6
159.11684	31.8
161.09636	7.5
161.13219	11.2
169.10059	5.8
171.11694	6.5
173.09647	8.5
173.13213	21.8
187.14867	6.4
219.29138	5.8
259.20523	12.5
261.22150	25.0
273.21988	8.0
301.21655	7.4
303.23178	25.5
321.24149	6.8
327.23187	7.3
327.34195	6.1
351.23276	6.2
369.24326	48.1
387.25189	66.3
405.26337	96.6
410.15552	6.2
423.27365	82.1
423.34692	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.65575	5.9
52.07506	8.1
52.63496	7.0
54.71068	6.6
55.05514	15.9
57.03439	7.6
57.07067	7.9
58.06593	51.9
62.37562	7.2
67.05512	66.9
67.34853	5.9
69.03433	14.4
69.07068	41.4
71.04961	10.4
79.05490	49.1
81.03413	32.4
81.07050	100.0
83.04937	8.2
83.08614	18.0
85.02921	8.0
91.05485	28.7
93.07053	67.4
95.08620	77.5
97.02861	8.7
97.06490	7.1
97.10198	11.8
100.99464	7.7
105.07040	35.3
105.96732	7.6
107.08590	55.9
109.10150	72.6
111.04502	8.3
111.08021	10.6
117.07047	16.8
119.08586	59.7
120.11156	7.8
121.10143	52.7
123.11717	13.8
124.07566	16.6
125.07980	13.3
129.07132	7.0
131.08534	31.7
133.10129	51.1
135.08022	11.5
135.11699	47.9
145.10115	47.3
147.11678	35.2
149.13275	32.1
157.10147	15.5
159.11674	43.5
161.09474	7.8
161.13208	15.8
171.11731	9.0
173.13246	33.6
175.14883	12.6
183.11703	8.3
185.13263	9.5
187.14789	10.3
197.13242	10.1
201.65517	8.4
203.10323	8.2
261.22110	12.1
303.23178	12.4
369.24280	18.0
387.25208	38.8
396.10248	7.7
405.26041	57.3
423.27426	69.0
423.36038	55.5
441.94058	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70264	3.5
55.01870	6.0
55.05512	18.6
57.07057	4.5
62.41510	4.2
65.96197	4.0
67.05513	56.7
69.03442	12.0
69.07069	12.1
71.05007	10.5
72.19369	4.4
79.05502	44.4
81.03421	10.3
81.07063	89.6
83.08630	20.1
85.64349	4.8
91.05486	34.2
93.07041	100.0
95.08601	76.2
97.02896	57.4
99.04463	25.5
105.07031	26.1
107.08598	49.4
109.02856	9.6
109.06538	7.1
109.10165	30.0
117.06990	8.8
119.07831	4.5
119.08541	39.3
121.10171	51.0
123.08060	7.4
123.11727	8.6
127.03884	35.1
131.08577	21.9
131.92728	4.6
133.10124	24.8
135.11702	27.5
142.51498	4.6
145.10106	22.5
147.11713	9.8
149.13268	6.0
159.11746	10.1
161.13258	8.8
171.11684	6.0
173.13275	10.9
175.14848	7.8
179.14290	21.4
239.37584	4.9
261.22134	49.3
273.22229	5.2
339.23102	8.0
357.24069	11.3
423.31134	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01878	6.3
55.05514	30.5
57.03438	19.5
57.07079	4.1
57.18165	4.2
62.24420	3.9
67.05508	71.9
67.18893	4.4
69.03439	34.8
69.07076	45.4
71.05000	7.7
71.95695	4.7
79.05492	37.7
81.03416	28.9
81.07069	100.0
83.08627	30.9
84.40243	4.8
85.02893	19.7
85.06556	5.9
91.05483	46.8
93.07037	64.6
95.04984	8.6
95.08612	75.7
97.02896	19.1
97.06540	7.4
97.10175	10.3
99.04461	8.0
105.07033	47.6
107.08601	73.1
109.06508	5.3
109.10155	82.2
111.04427	5.0
111.08029	4.6
113.09636	5.4
117.07012	19.4
119.08617	54.4
119.19845	4.7
121.10174	57.9
123.08032	10.1
123.11691	17.8
124.07598	24.3
125.07849	5.8
127.03871	10.5
129.07004	5.4
131.08539	33.5
133.10092	42.6
135.11673	46.9
137.09682	7.7
137.13249	5.2
140.03418	8.5
143.08562	6.4
145.10110	44.9
147.11697	34.4
149.13277	24.9
157.10103	10.8
159.11674	30.2
161.09604	9.2
161.13255	30.9
163.14847	6.7
169.10075	5.7
171.11678	10.9
173.13237	25.1
175.14799	5.8
179.14348	4.9
185.13281	20.0
187.14845	27.7
189.16397	8.4
199.14856	6.5
201.16396	11.5
213.16347	8.0
226.17168	5.2
259.20627	8.5
261.22171	20.8
281.59412	4.8
303.23209	9.9
319.22498	5.6
369.24179	26.3
387.25131	37.0
405.26306	63.6
423.27502	53.7
423.31223	7.5
423.36923	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03944	8.1
55.05506	12.9
57.03428	8.0
57.53883	7.1
59.65287	7.4
67.05503	79.7
68.31153	7.3
69.03419	21.1
69.07054	22.8
71.08599	10.9
79.05489	54.0
81.03424	15.9
81.07071	100.0
83.08611	38.0
85.02892	15.4
91.05484	16.5
93.07040	86.7
95.05026	10.1
95.08591	79.6
97.02940	12.9
99.04450	9.5
105.07043	46.9
107.08588	60.9
109.01093	8.5
109.10149	50.5
117.06980	11.2
119.08575	22.2
121.10165	70.1
123.08040	10.9
123.11688	14.9
131.08557	36.4
133.10107	57.6
135.11690	19.1
145.10143	37.9
147.11707	19.9
159.11659	40.3
161.13188	32.2
163.14880	9.7
171.11729	14.1
173.13179	12.1
174.56880	8.5
175.14783	9.2
185.13358	12.9
261.22229	16.9
273.72858	8.4
303.23282	12.4
369.24094	17.3
387.25232	45.4
405.26370	72.3
423.26819	66.9
423.31848	33.3
449.92715	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58108	0.9
53.54122	0.7
55.05528	1.9
57.03420	0.9
57.07069	0.9
58.33413	0.9
59.42646	0.8
60.25811	1.0
62.63070	0.8
64.59332	0.8
65.14298	0.8
67.05504	5.2
69.07073	6.0
71.05003	1.3
71.08665	1.3
79.05492	2.0
81.07071	10.8
83.08630	4.7
91.05489	1.1
93.00240	1.0
93.07050	6.3
95.08620	7.6
97.06558	1.0
105.07032	1.7
107.08600	6.2
109.06525	5.6
109.10149	3.9
111.08083	1.3
119.08602	5.3
121.10149	3.5
123.08062	27.3
133.10109	3.7
135.08055	3.5
135.11739	2.1
137.09641	3.9
145.10147	1.6
147.11673	2.2
149.09674	2.1
149.13266	1.2
151.11249	1.5
159.11696	1.3
175.14973	1.0
177.12773	6.0
179.14308	23.1
247.20563	1.2
275.20041	9.4
303.26831	5.0
313.25150	1.4
331.26273	19.6
423.31110	100.0
423.39783	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68179	0.9
55.05509	2.8
56.09875	1.0
63.90767	1.3
67.05515	9.8
68.49720	1.0
69.07068	9.3
70.77000	1.0
71.08646	1.5
79.05527	2.5
81.07061	18.6
83.08630	6.0
91.05496	1.8
92.62887	1.3
93.07045	8.8
95.08614	13.1
97.10191	1.6
97.74570	1.3
105.07039	5.8
107.08613	6.9
109.06517	6.4
109.10159	7.5
111.08130	1.5
119.08564	6.2
121.10157	7.1
123.08080	35.3
123.11726	1.8
133.10143	6.1
135.08038	3.1
135.11688	6.0
137.09653	2.9
145.10129	2.8
147.11684	2.8
149.09657	2.0
149.13297	2.4
159.11650	2.3
161.13252	1.7
163.14787	1.4
173.13438	2.5
175.14842	2.0
177.12755	7.1
179.14330	17.5
198.76651	1.3
247.20621	2.1
263.20129	1.5
271.78094	1.4
273.70926	1.7
275.20145	7.7
289.31073	1.3
303.26910	5.1
310.05026	1.3
331.26321	20.5
389.34128	1.8
405.35455	1.3
406.37009	4.7
423.31070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53478	2.3
53.80632	2.0
55.05514	3.6
60.56857	2.8
67.05510	23.2
67.95342	2.7
69.07061	10.9
79.05485	11.4
80.48145	2.3
81.07066	37.3
81.84010	2.8
83.08626	10.6
91.05467	4.7
93.07035	20.0
95.08599	38.9
97.06548	2.9
97.10168	4.7
100.28441	2.3
105.07012	14.2
107.08617	26.6
109.10169	21.7
113.14387	2.6
118.34867	2.4
119.08553	17.9
121.10128	16.4
123.11677	6.0
131.08546	6.1
133.10117	10.1
135.11705	22.1
145.10129	11.8
147.11754	3.9
149.13283	4.4
159.11667	11.5
175.14920	2.7
185.13168	3.8
187.14799	5.0
208.93158	2.5
222.13347	2.6
297.51794	2.8
300.72104	2.6
301.64301	2.8
309.57654	2.8
353.28284	4.9
365.58511	2.7
370.30936	15.3
371.29648	22.5
388.32080	41.1
389.30527	12.7
405.34485	9.7
406.33154	26.1
423.35785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13973	1.3
55.05516	3.4
57.07068	1.3
61.81422	1.3
66.31270	1.2
67.05507	22.6
69.07076	11.3
69.08282	1.3
70.63081	1.1
71.75076	1.4
79.05505	11.0
81.07059	37.9
83.08607	11.0
91.05472	7.7
92.21552	2.0
93.07040	23.1
95.08614	40.4
97.06470	2.0
97.10172	2.7
102.83418	1.4
105.07018	11.9
107.08598	20.7
109.10159	16.4
113.10327	1.4
114.22321	1.4
117.07024	1.8
119.08582	13.4
121.10124	24.4
123.11706	5.4
125.09673	1.4
131.08574	8.0
133.10118	10.6
135.11700	14.0
145.10135	14.2
147.11714	7.6
147.20099	1.8
149.13278	7.9
157.10152	2.1
159.11710	7.3
161.13263	3.1
171.11668	2.1
173.13274	8.2
175.14828	1.6
179.14276	2.2
185.13228	1.8
187.14795	2.8
199.14835	2.2
212.30740	1.7
219.50165	1.5
261.22202	1.6
313.63458	1.6
343.30145	2.4
353.28278	7.8
370.30978	15.5
371.29535	19.1
388.32104	30.2
389.30527	13.6
393.48615	1.5
400.75974	1.5
405.34744	7.3
406.33142	31.2
423.31589	4.2
423.35825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05385	1.5
144.86993	1.9
265.05154	2.0
276.94785	1.5
278.07953	2.1
283.06174	18.8
290.08133	2.1
301.07254	7.0
304.09772	1.8
306.07486	7.8
317.06726	3.2
318.07666	3.3
319.08209	3.5
320.09143	3.2
329.80710	1.8
330.07629	2.0
332.05536	3.3
332.09088	18.3
334.07028	2.4
346.07028	14.2
347.07724	7.3
349.05643	2.2
350.06616	22.2
362.10223	68.2
362.14764	2.2
364.08167	46.8
365.08624	6.6
378.09671	9.1
380.11072	8.4
406.09198	16.6
424.10196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87780	0.7
57.79057	0.8
79.23138	0.8
97.59573	0.8
110.20929	0.8
167.93295	0.8
182.38855	1.0
193.51280	1.0
236.13817	0.7
250.49931	0.8
277.07416	0.9
281.13901	0.8
289.07339	0.9
305.06821	8.4
306.07693	1.4
309.06430	1.0
319.08447	7.1
320.05750	0.9
320.09189	5.4
322.08255	6.4
333.06174	4.1
334.07120	1.8
335.07935	19.6
338.12842	1.2
348.08707	12.7
350.10538	2.9
362.06488	3.3
367.06894	1.5
376.08075	1.2
378.09698	36.3
391.06985	1.1
406.09216	100.0
407.09702	1.2
424.10223	15.4
424.24841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1177
Annotation	APF
Peak:m/z	Relative Intensity
64.86147	0.3
73.44997	0.3
76.55641	0.3
86.57001	0.4
105.03413	5.5
128.96449	0.4
145.88846	0.4
185.24538	0.4
189.65488	0.4
255.71288	0.4
290.08115	2.8
291.08810	3.3
318.07556	4.5
319.08456	2.1
320.09073	0.8
334.10629	0.5
336.12173	2.1
353.10822	0.4
364.11896	0.5
366.11270	1.6
380.09012	1.5
381.09946	0.7
394.10907	2.2
396.12332	4.0
422.10373	0.6
424.11700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59871	1.9
53.03957	3.4
58.06595	5.1
69.03427	2.6
71.04977	2.5
81.03426	17.8
84.04536	2.8
85.02891	12.5
86.06071	3.9
86.09699	3.8
87.03229	2.4
95.04971	4.4
97.02900	27.6
98.06084	2.9
98.44032	2.5
99.04453	45.3
102.04360	2.3
103.05497	2.1
104.08691	2.5
107.04967	76.7
108.04507	3.2
110.06048	3.9
111.04427	4.9
112.03968	5.2
116.07092	4.5
119.04936	14.7
120.04466	38.8
121.06509	15.3
123.04427	35.5
124.03915	5.2
125.04731	64.4
126.05524	8.5
126.09185	3.3
127.03896	3.8
130.04996	3.0
135.06760	11.5
136.07596	31.8
136.52872	2.3
138.05518	11.6
143.05800	4.8
145.55258	2.2
146.06033	17.1
147.04413	24.2
148.03908	3.1
148.07558	24.4
156.06538	4.9
160.07547	4.8
164.07059	26.8
165.05481	31.9
165.22194	2.2
166.04987	29.1
172.07542	3.7
178.08635	4.2
182.08116	5.0
184.06104	3.6
190.08597	3.3
192.06526	3.7
202.07059	2.8
226.08636	11.6
236.09180	3.8
244.09679	12.2
262.10617	4.7
272.09177	4.1
280.11853	20.6
290.10287	22.0
308.11331	20.5
326.12344	20.2
339.26309	2.4
378.15216	4.2
388.18137	4.0
406.14978	100.0
424.15591	73.9
424.21173	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36843	0.3
56.15653	0.3
59.88563	0.3
63.57141	0.3
69.03419	0.4
70.06554	2.2
71.57292	0.4
71.92313	0.4
72.66716	0.3
76.23109	0.3
79.24641	0.3
81.03417	0.6
85.02874	2.0
97.02860	1.3
99.04465	6.3
100.04748	1.6
121.06503	0.4
126.05488	0.3
128.07057	0.5
131.04889	0.5
137.05927	0.6
149.06006	1.9
162.11177	2.0
163.11612	0.6
167.07025	8.1
176.26967	0.4
177.05450	3.4
177.07861	1.5
184.76199	0.4
194.41957	0.5
209.08095	2.1
221.05116	1.7
227.09103	5.0
244.06052	0.6
262.10724	100.0
294.05887	2.4
337.07788	0.7
347.06192	0.5
355.08685	0.7
383.08292	3.2
401.09177	3.5
419.10242	0.9
424.15994	27.6
424.20547	1.7
444.76947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
64.58950	1.3
67.57767	1.7
69.03447	3.2
71.04993	3.9
72.04514	2.3
81.03424	17.1
84.04502	4.1
85.02898	12.2
86.06068	2.1
91.05494	2.5
93.03431	2.6
95.04931	2.2
96.04508	2.9
97.02883	20.1
97.05328	1.8
99.04459	52.0
107.04955	100.0
108.04484	4.5
109.02901	8.0
110.06072	2.2
111.04417	3.8
112.03955	11.1
115.03855	2.3
117.05417	2.7
119.01564	1.8
119.04945	22.2
120.04464	46.0
121.06506	12.4
123.04422	48.3
124.03979	3.8
125.04733	69.1
126.05511	9.2
127.03890	10.9
134.06024	2.9
135.06783	7.8
136.06653	2.4
136.07602	41.6
138.05511	24.5
142.08687	1.9
143.05762	4.2
144.06563	4.1
145.05034	2.4
146.06017	22.8
147.04410	22.0
148.03897	7.9
148.07599	29.8
156.06599	7.6
160.07578	9.3
164.07076	9.0
165.05467	38.7
166.04982	33.3
172.07568	2.3
178.08633	3.1
182.08122	4.2
184.06015	7.0
187.07568	2.1
192.06511	8.3
198.09148	4.1
198.11198	1.7
207.41200	2.3
216.10135	3.0
218.08031	1.9
226.08633	4.2
241.09377	2.0
244.09654	10.6
261.09747	2.6
262.10675	10.7
272.09076	7.4
280.11832	20.9
290.10202	17.9
308.11243	28.6
309.33807	1.9
326.12369	20.7
344.14883	2.6
378.15454	3.7
402.90240	2.2
406.14926	98.1
417.08685	2.2
424.15961	70.5
424.21057	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50064	0.5
51.42681	0.4
52.48816	0.4
52.52357	0.4
64.30979	0.5
78.66618	0.5
80.73837	0.5
81.03433	0.9
81.07061	1.1
97.02888	0.9
99.04458	2.9
120.30291	0.5
121.06475	0.7
125.06004	3.5
126.12786	0.7
137.05965	0.9
141.12621	0.6
153.05452	1.3
162.05487	2.6
163.06029	0.9
164.07054	100.0
166.74600	0.6
169.51274	0.6
178.08650	2.4
183.25040	0.7
195.72215	0.6
204.06587	1.3
234.07726	0.7
236.09155	38.7
242.15015	0.7
266.10141	3.7
406.14630	0.9
406.19516	0.8
424.15952	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
61.02935	1.2
69.03429	0.9
69.89197	0.5
81.03417	2.6
85.02909	10.4
85.17453	0.5
91.05466	0.9
91.80714	0.5
93.07020	1.0
93.67282	0.5
96.76546	0.4
97.02867	2.0
99.04442	2.6
100.04758	0.7
103.05469	2.4
107.04984	0.8
109.02871	1.1
121.06506	7.2
123.04455	0.9
124.05129	0.5
127.03935	1.0
131.04938	4.1
133.02895	0.8
135.36574	0.6
137.05971	6.7
140.04633	1.0
143.02728	1.0
144.28030	0.5
145.02814	0.5
145.04971	1.9
148.05186	0.9
149.05989	17.5
155.07039	2.2
159.04398	5.6
165.05443	1.2
167.07030	100.0
176.04710	0.9
177.05470	54.2
181.08595	2.0
191.07063	3.3
194.05762	2.1
209.08095	26.8
211.09691	2.6
227.09138	77.5
249.83646	0.5
262.10715	5.1
285.08719	0.6
337.70218	0.5
340.15833	0.6
365.08090	1.1
424.15720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90046	0.9
55.78754	0.8
61.02960	0.9
69.03432	1.0
69.41930	0.8
81.03399	1.1
83.77415	0.9
85.02895	12.1
97.02863	2.1
99.04470	1.5
103.05441	1.7
107.04999	1.3
121.06452	6.9
127.03973	1.6
131.04927	2.3
133.02936	0.9
133.90988	1.0
137.05951	6.1
145.04927	0.9
147.04387	1.4
149.05975	14.8
151.29564	1.4
155.06978	1.8
159.04398	3.6
165.05446	1.1
167.07021	100.0
177.05455	53.7
193.08533	1.0
194.05743	1.2
209.08084	23.5
211.09608	4.8
227.09114	79.7
262.10709	88.2
273.92770	1.0
337.07654	1.2
405.00394	1.1
424.15918	23.9
424.21082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2481
Annotation	Militarinone C
Peak:m/z	Relative Intensity
50.02513	0.4
52.58986	0.5
54.50488	0.4
56.86103	0.4
61.09100	0.5
65.30847	0.6
67.05503	2.4
68.26768	0.5
69.66074	0.5
79.05495	1.3
81.07064	3.4
83.96367	0.6
90.43598	0.6
91.05484	4.7
91.65861	0.5
92.21516	1.1
93.07051	10.0
95.04988	1.2
95.08592	2.2
95.21555	0.6
103.05495	2.8
105.07052	2.7
107.04972	1.0
109.10184	1.1
119.08566	2.3
121.06504	100.0
121.10136	0.8
124.07609	2.5
131.08583	3.6
133.10182	0.7
135.08070	0.7
136.07547	1.1
138.09198	1.0
143.08722	0.8
149.09584	1.4
150.09132	7.5
162.09175	5.2
164.10733	1.2
170.63853	0.6
176.10750	0.7
178.08646	3.7
188.10736	3.4
190.12227	0.8
199.07610	0.6
199.09827	0.7
200.10678	0.9
202.12256	1.3
226.12140	0.7
228.13821	15.0
244.13475	0.8
254.15532	0.6
256.13333	2.5
258.18616	0.8
268.16855	5.0
270.14792	2.2
282.14868	2.8
284.16501	0.8
286.18008	4.0
295.95651	0.6
308.16483	1.4
322.17957	0.7
362.94940	0.6
378.24359	0.9
388.22714	7.8
394.47168	0.6
406.23694	30.9
424.24835	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
64.53436	0.3
67.05500	2.4
78.48434	0.3
79.05077	0.3
79.05483	2.3
79.40125	0.3
81.03413	0.4
81.07056	2.3
91.05495	5.7
93.07039	7.9
95.04967	1.7
95.08611	1.7
99.04489	0.6
103.05463	2.6
105.07027	1.5
107.04942	1.8
107.08589	1.6
109.06516	0.4
109.10172	1.8
117.07047	0.8
119.08580	2.9
120.05800	0.4
121.06500	100.0
121.10129	1.9
122.05987	0.4
122.09690	0.7
123.11674	0.4
124.07578	2.2
124.99116	0.3
126.09159	0.5
129.06956	0.6
131.08577	3.1
133.06444	0.7
133.10132	2.0
135.08044	0.6
136.07565	2.3
138.09154	1.6
143.08566	0.7
145.10120	0.8
148.07578	0.5
149.09650	1.8
149.13338	0.3
150.09134	6.9
155.71521	0.4
159.08105	0.5
160.07565	0.7
161.09641	0.8
162.09142	4.7
163.07471	0.4
163.11162	0.7
164.10640	0.9
176.10670	2.5
178.08592	5.7
188.10706	4.3
190.12280	1.6
198.19409	0.4
200.10672	0.6
202.12187	1.6
212.10579	0.4
226.12173	0.5
228.13823	16.8
244.13365	0.4
249.55232	0.4
254.15390	0.6
256.13272	3.7
258.18594	2.2
268.13693	0.7
268.16888	7.6
270.14859	2.7
273.18375	0.5
282.14877	3.3
284.16302	0.5
286.18033	3.7
296.16388	0.5
298.14426	1.3
308.16486	1.8
373.11600	0.4
378.24268	1.7
388.22647	7.7
406.23737	30.0
424.24829	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07765	1.8
59.54293	2.0
59.81712	1.8
64.07412	2.4
65.95922	2.3
67.05508	2.8
67.42962	2.4
69.07065	18.3
71.01066	2.2
81.07063	11.8
109.10159	5.3
160.22716	2.5
175.69165	2.4
180.50705	3.0
188.55861	2.7
201.05415	3.5
211.11194	5.8
211.69705	3.1
225.05498	3.3
225.09247	4.4
239.07047	4.6
239.10703	16.5
253.08710	9.3
253.12099	5.1
254.13052	2.9
267.10150	100.0
271.09354	2.4
281.11719	9.9
282.12625	3.3
285.11264	28.9
300.13495	15.7
323.16312	10.1
335.16299	12.1
350.18771	10.4
363.23105	2.7
391.22699	39.5
406.24762	17.2
409.23819	48.6
424.25568	29.5
424.30920	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3056
Annotation	Asmarine I
Peak:m/z	Relative Intensity
54.57775	1.6
57.07085	2.4
59.75000	1.4
67.05495	3.1
69.07052	2.1
70.06585	2.7
74.63863	1.7
81.07044	7.6
82.06544	2.0
83.08639	4.1
84.38989	1.6
92.21056	2.2
93.07009	3.1
95.08619	7.4
96.04469	2.1
97.06574	2.5
98.06052	9.3
100.07607	7.7
109.10110	2.2
114.09185	4.0
114.26456	1.6
119.71602	1.8
119.86590	1.8
124.03955	20.7
124.07574	6.9
142.08626	33.7
144.06587	8.2
153.44212	1.7
154.08649	2.2
170.08096	12.9
263.38364	2.0
353.12457	1.8
378.30063	10.3
396.31100	8.1
406.29440	3.7
424.30518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3053
Annotation	Asmarine I
Peak:m/z	Relative Intensity
55.05515	3.7
57.03452	1.8
57.07088	0.8
57.95508	0.7
61.08028	0.7
64.34784	0.7
67.05514	7.6
69.07077	4.2
71.04990	0.8
79.05492	3.1
81.07056	6.6
83.08619	2.7
88.21540	0.7
91.05480	0.9
93.07053	5.9
95.08607	8.6
97.02893	1.5
98.25105	0.7
98.59827	0.7
99.04473	3.9
101.83142	0.7
102.53498	0.7
103.36134	0.7
105.07098	1.3
107.08592	1.7
108.04482	100.0
108.11525	0.6
109.10178	4.2
110.10480	0.8
119.08588	1.5
121.06481	1.3
121.10128	1.7
123.11689	0.9
126.05515	84.5
133.10156	3.0
135.11717	1.4
145.10106	1.0
147.11691	1.5
177.07819	0.8
262.22446	0.9
277.21924	0.9
283.17017	1.7
375.25500	1.2
424.30682	71.1
424.36484	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33171	0.3
57.07082	3.2
60.50920	0.3
64.84173	0.3
67.05499	0.3
79.35073	0.4
86.09710	15.9
92.20961	0.4
114.84504	0.3
115.95689	0.3
119.08591	1.7
121.06509	1.8
121.10139	6.6
133.06505	0.6
133.10124	2.4
141.48785	0.4
147.08083	0.6
147.11690	7.2
157.10133	0.6
175.11176	11.0
177.12793	0.4
283.16913	100.0
339.23181	37.4
350.83978	0.4
412.82089	0.4
424.32077	13.8
433.49905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34099	0.3
57.07081	3.9
69.45399	0.4
70.57954	0.4
71.09093	0.5
86.09705	17.3
105.06989	0.6
119.08562	2.2
121.06470	1.1
121.10137	5.7
133.06500	0.7
133.10074	4.0
147.08032	0.5
147.11662	6.5
157.10141	0.6
163.11168	0.6
175.11165	10.0
225.49590	0.4
239.25655	0.5
248.12477	0.5
283.16904	100.0
339.23160	39.7
379.70416	0.4
380.36200	0.6
424.32092	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3209
Annotation	Radarin B
Peak:m/z	Relative Intensity
50.54000	0.3
53.36226	0.4
55.43116	0.5
57.07076	3.7
58.56044	0.4
62.27213	0.4
67.05512	0.6
80.09289	0.5
81.48479	0.5
82.81190	0.5
86.09708	19.0
98.12263	0.5
105.07047	0.5
108.04473	3.2
119.08575	2.1
121.06504	0.9
121.10164	6.1
126.05505	2.0
133.10130	3.5
147.08028	0.7
147.11665	6.2
147.98894	0.5
175.11177	11.1
283.16913	100.0
339.23163	40.9
339.27344	1.1
424.31967	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	3.6
83.97581	0.4
86.09705	17.6
94.06605	0.5
97.06519	0.7
100.25005	0.5
105.07031	0.6
119.08551	1.8
121.10148	5.9
133.10097	2.4
147.11684	9.4
173.18073	0.5
175.11174	10.4
233.64238	0.4
248.20087	1.1
283.16901	100.0
339.23157	37.0
339.27332	1.1
424.26575	0.8
424.32043	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99110	0.3
57.07085	3.2
58.24448	0.4
58.31531	0.4
63.42981	0.3
77.86031	0.4
86.09707	20.3
97.06541	0.5
109.98912	0.4
119.08565	1.0
121.10138	6.3
133.10117	4.0
147.11682	6.7
175.11156	10.0
208.00497	0.4
283.16895	100.0
300.00888	0.5
330.32214	0.4
339.23175	39.3
377.89294	0.4
424.32037	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	3.5
69.03537	0.3
84.93490	0.3
86.09711	16.6
86.10255	0.6
87.22319	0.3
105.06998	0.3
119.08548	1.4
121.06547	0.7
121.10139	4.7
133.06544	0.6
133.10083	2.9
147.11684	6.6
157.10075	0.5
163.11153	0.5
175.11176	10.8
176.58319	0.4
177.12732	0.4
220.10098	0.3
283.16916	100.0
339.23175	41.6
339.29248	0.4
407.78552	0.4
424.32114	14.0
449.70142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97374	0.3
57.07082	3.0
60.92108	0.4
63.94492	0.4
71.67977	0.3
79.21343	0.4
86.09705	17.7
92.21046	0.5
94.06525	0.6
105.07061	0.7
119.08559	1.5
121.06476	0.7
121.10140	6.0
133.10107	2.7
147.11699	6.4
160.93405	0.4
163.11261	0.4
175.11172	11.2
266.12076	0.5
283.16910	100.0
339.23172	36.9
424.32086	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3418
Annotation	linoleylcarnitine
Peak:m/z	Relative Intensity
55.05515	4.8
57.03442	0.8
57.07070	1.1
58.06607	11.5
59.07380	4.6
60.08171	26.6
60.35505	0.7
61.26430	0.7
67.05508	19.3
69.07076	10.0
71.05015	0.9
79.05498	5.6
81.07063	22.2
83.08633	3.7
85.02899	5.6
91.05486	1.3
93.07040	8.5
95.08605	18.6
97.10168	1.1
98.63848	0.8
100.11472	1.0
105.07034	3.6
107.08588	6.6
108.04485	3.0
109.10149	8.2
119.08582	1.7
121.10156	4.7
123.11726	3.5
133.10153	3.1
135.11710	5.1
137.13287	1.1
144.10211	3.8
147.11703	1.7
149.30928	0.8
162.11240	40.6
191.34158	1.0
245.51059	0.8
253.58331	0.8
254.95358	0.9
261.17587	0.9
283.16953	2.0
339.23218	1.0
365.26932	9.4
424.34232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03531	1.2
62.33419	1.0
63.44571	1.0
79.31834	1.3
84.04495	1.8
84.08145	5.1
85.02904	1.4
87.05600	2.5
95.86366	1.3
97.02900	1.6
101.00881	2.0
113.11598	1.1
119.01910	8.4
126.05483	1.9
128.07048	2.5
130.04909	1.8
131.01884	1.3
133.05247	1.4
133.06097	10.2
143.01904	26.8
145.03450	7.8
155.01894	11.2
157.03461	2.7
161.02950	51.0
161.04230	2.5
164.07033	1.5
167.01901	8.9
169.03418	1.6
173.02927	22.3
179.01939	1.6
185.02939	39.6
187.04515	6.5
191.03998	6.5
192.05789	1.3
197.02911	10.8
200.02911	1.4
203.03992	17.1
204.08717	1.8
215.03984	11.9
225.12352	2.1
227.03952	12.3
233.05275	1.8
239.07396	1.2
245.05057	100.0
257.05139	4.8
263.06149	23.9
275.06128	8.6
288.21149	1.3
293.07135	2.4
305.07199	10.9
335.08148	7.2
341.13333	2.4
365.09225	17.7
383.10361	1.4
407.09750	1.7
407.15970	2.9
421.72028	1.4
425.11258	26.6
425.17664	10.2
425.30905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88894	0.8
54.03881	0.9
55.93151	1.1
56.41265	0.9
59.31693	0.9
60.68179	0.9
61.43424	1.1
84.33836	1.2
84.46934	1.1
100.49024	1.0
102.48476	1.0
113.52303	1.2
119.01904	8.5
137.02925	2.0
138.76221	1.1
141.31244	1.0
143.01901	27.9
145.03433	6.1
155.01920	11.8
157.03482	1.8
161.01581	1.9
161.02951	52.0
167.01891	6.1
169.03470	2.2
173.02980	21.3
176.02618	4.1
179.01898	1.8
185.02962	38.2
185.04660	1.2
187.04549	6.5
191.03987	5.6
197.02968	12.9
198.61128	1.3
203.02519	1.3
203.04039	18.0
215.04039	14.2
221.05093	1.4
227.03937	13.4
245.05064	100.0
248.04720	3.6
257.05164	5.7
263.06125	24.6
275.06088	16.4
293.07227	1.7
301.07678	2.4
305.07263	8.8
305.80450	1.2
307.08710	1.2
335.08057	6.8
365.09290	15.5
407.10556	2.5
425.11200	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17440	1.3
63.35971	1.3
66.04727	1.1
66.10030	1.1
81.17825	1.2
88.53857	1.2
92.20897	1.8
92.81815	1.2
101.00894	2.1
112.06149	1.3
119.01917	6.8
119.62865	1.3
119.82860	1.3
131.01930	1.5
143.01895	31.2
143.02943	2.0
145.03462	6.2
155.01849	13.6
157.03506	1.5
161.02950	64.5
163.02623	1.7
163.04532	1.4
167.01942	6.4
169.03461	5.1
173.02948	23.9
185.02969	42.7
187.04538	5.1
191.02220	1.3
191.04021	8.0
197.02946	13.9
203.04018	16.2
209.75873	1.4
214.71510	1.4
215.04005	14.3
221.05099	2.0
227.03909	11.2
233.05092	2.5
245.05074	100.0
257.04950	5.5
261.06546	1.3
263.06140	26.2
275.05975	9.5
291.09537	1.4
305.07339	13.6
334.36874	1.4
335.07913	5.9
365.09354	12.1
425.11200	38.0
425.47870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	1.3
63.04363	1.4
66.18689	1.3
70.01868	1.5
74.73873	1.4
79.05499	1.9
81.07108	1.6
89.13005	1.3
91.05464	8.2
93.03411	2.6
105.07047	7.9
115.05447	3.2
119.08575	7.3
120.94652	1.6
121.06544	1.8
121.99470	1.5
123.14289	1.4
129.06970	3.8
131.04990	2.6
131.08575	1.7
132.05737	3.1
133.06480	7.8
137.05971	3.5
147.08067	9.5
151.07544	100.0
159.08040	8.3
160.05191	2.0
161.05971	10.4
161.07178	1.5
163.07549	2.9
165.05472	2.9
171.08029	1.5
172.05141	3.8
173.05885	2.3
175.07541	70.3
177.09109	2.0
186.06850	1.6
187.07530	26.7
188.92986	1.6
199.07541	6.8
215.06973	2.8
217.08511	1.5
221.08046	19.9
233.09613	3.2
245.08032	3.4
249.09221	7.2
251.40802	1.5
260.57590	1.8
261.09058	9.0
263.10654	18.2
264.11597	1.8
265.12119	7.8
273.09201	2.3
273.12479	1.6
275.10504	2.4
276.11514	3.3
277.08524	9.3
278.09369	2.6
281.11716	7.4
289.08578	7.3
290.09369	3.0
291.10059	13.7
292.10852	10.6
293.11615	22.4
303.10257	2.9
304.11053	3.3
305.11682	15.7
307.13290	8.8
309.11154	28.6
319.09534	1.7
321.11172	18.0
323.12653	7.3
324.13550	91.7
336.13458	30.0
338.81296	1.8
349.14264	3.1
353.13855	2.1
363.11801	2.0
384.15466	1.9
395.15009	11.1
407.14886	18.6
425.14883	3.5
425.25204	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03811	0.3
50.44827	0.3
53.03960	3.1
56.20300	0.4
58.82181	0.4
59.84215	0.4
69.03442	4.3
70.06593	5.0
71.04990	2.0
81.03430	9.7
83.04991	1.7
83.69646	0.4
84.20641	0.4
85.02913	5.7
92.63358	0.4
97.02907	4.7
99.04461	100.0
109.02868	2.7
111.04459	2.8
111.59913	0.4
116.07092	0.6
117.05482	13.2
127.03907	4.6
129.05493	1.7
145.04985	2.1
165.07600	5.6
187.17810	0.4
198.96935	0.4
205.13571	0.4
213.08733	0.5
213.12325	3.0
243.08749	1.0
244.98209	2.4
261.09695	8.4
279.92160	0.5
350.55975	0.4
384.08167	0.7
425.02185	0.8
425.20654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19497	0.3
51.15172	0.4
54.11805	0.4
58.06607	100.0
58.47299	0.4
59.06943	0.5
60.89232	0.4
85.02899	1.0
90.17561	0.4
99.04466	1.0
103.78188	0.4
110.01101	0.5
125.72027	0.5
135.88869	0.5
140.82809	0.4
147.04424	2.1
195.99524	0.4
235.07550	0.7
239.02147	0.5
263.07043	1.0
265.08615	0.5
281.08099	4.9
296.10400	6.3
341.16232	32.7
365.05563	1.7
425.17087	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19497	0.3
51.15172	0.4
54.11805	0.4
58.06607	100.0
58.47299	0.4
59.06943	0.5
60.89232	0.4
85.02899	1.0
90.17561	0.4
99.04466	1.0
103.78188	0.4
110.01101	0.5
125.72027	0.5
135.88869	0.5
140.82809	0.4
147.04424	2.1
195.99524	0.4
235.07550	0.7
239.02147	0.5
263.07043	1.0
265.08615	0.5
281.08099	4.9
296.10400	6.3
341.16232	32.7
365.05563	1.7
425.17087	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58857	1.1
55.05514	1.8
58.20355	1.3
67.05521	1.2
73.14315	1.2
79.05503	2.1
81.03441	1.3
81.07047	6.1
83.08611	1.2
91.05488	2.2
92.20985	1.3
93.07030	5.9
95.08589	2.6
99.04433	2.2
105.07044	5.1
107.08603	3.1
114.64336	1.3
119.08585	2.5
120.08109	1.6
121.06493	29.6
122.06823	12.2
131.08569	2.7
133.10132	3.0
135.11678	1.5
143.08607	1.6
145.10110	2.0
157.10229	1.3
159.11690	1.7
163.11150	1.5
245.06349	2.3
287.03714	28.6
289.05252	19.8
305.19360	2.5
333.06140	1.4
336.08203	1.9
379.09906	8.8
381.18863	1.5
405.76233	1.4
407.09427	21.1
407.29446	2.5
425.17755	100.0
425.24945	29.6
425.30237	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1812
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
55.05508	3.4
60.10001	1.9
65.11378	1.9
69.03419	12.6
83.04980	38.4
85.02889	3.8
95.04971	7.3
97.02879	11.2
97.06532	2.5
99.04437	11.8
103.03951	8.7
105.07027	2.0
107.08591	4.9
109.02898	14.3
119.08565	3.6
121.06494	3.7
123.08107	2.7
127.03894	17.0
129.06932	3.0
131.08589	3.9
135.08040	60.6
135.73712	2.1
140.73795	2.0
142.07700	2.0
143.01230	1.9
143.08540	8.7
145.04898	2.1
145.10049	2.1
145.17389	2.1
147.08054	8.1
149.09637	9.4
153.07030	3.9
155.08566	4.0
156.09355	4.8
157.10120	9.8
158.07251	2.1
159.08075	3.8
159.11716	3.3
159.62018	1.9
161.09578	3.5
165.09087	2.4
166.07784	2.7
168.09335	8.1
171.08052	9.2
171.11682	14.6
172.08829	3.1
173.09567	16.4
175.07550	3.8
175.11197	3.1
181.10127	11.3
183.11652	4.6
184.08823	10.4
185.09569	17.8
187.11218	18.8
191.07306	2.6
197.09666	2.9
199.11148	59.6
203.10646	26.0
208.64789	2.1
209.09583	13.0
212.08331	22.2
215.10655	100.0
217.12227	7.6
227.10669	46.7
233.11694	31.8
245.11696	79.3
263.05704	2.1
263.12811	23.1
278.08035	8.8
278.90497	2.1
320.09103	3.9
371.14868	35.9
389.15787	15.1
394.26459	2.2
425.17511	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19384	0.7
54.33957	0.7
57.07075	1.2
62.76942	0.9
66.78571	0.9
67.05519	1.2
69.07076	1.6
71.57797	0.7
75.47673	0.8
79.05537	0.7
81.07059	4.1
82.28741	0.8
85.06558	1.2
93.07043	3.6
95.08600	1.3
105.07024	1.0
107.08603	1.2
109.10136	1.1
121.10138	1.9
131.08563	1.3
145.38623	0.9
149.09705	0.9
149.13168	0.8
154.42351	0.9
167.10643	0.9
179.13217	0.8
196.16895	1.6
228.97960	0.9
238.21638	0.9
248.01384	0.9
305.24890	1.2
309.20334	2.1
333.24088	6.1
365.23160	1.8
407.27896	3.8
425.25034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
55.01871	6.2
55.05513	21.1
57.03447	4.6
57.07082	20.2
58.75209	3.7
67.05514	86.3
69.03434	46.7
69.07066	43.9
71.04966	4.2
71.08628	9.3
74.16978	4.0
75.17762	3.5
78.64155	4.0
79.05503	33.0
81.03433	45.5
81.07063	100.0
83.04977	7.2
83.08618	33.3
85.02906	17.8
85.06553	4.7
91.05484	35.1
93.07050	60.7
95.04948	17.5
95.08607	96.4
97.02890	19.9
97.06540	9.5
97.10147	17.5
99.04428	6.7
99.08105	4.8
105.07063	30.3
107.04967	6.2
107.08604	39.7
109.02867	10.2
109.06561	4.6
109.10177	45.2
111.04461	17.6
111.11752	4.7
117.06995	6.9
119.08582	26.4
121.06525	9.3
121.10137	30.0
123.08033	7.7
123.11694	17.8
125.09647	5.8
127.03923	6.4
129.05551	4.8
131.08559	29.2
133.10126	23.8
135.08165	5.0
135.11705	24.1
137.13293	7.0
139.11139	6.8
143.08478	5.7
145.06438	7.0
145.10159	9.4
147.08072	4.6
147.11687	21.2
149.06062	4.1
149.09630	7.9
149.13248	7.7
157.10149	6.7
159.11693	9.2
161.13280	21.9
163.14786	5.3
165.90561	4.5
173.13223	7.6
175.14839	18.0
187.14752	4.9
191.14311	6.7
192.94325	4.7
203.07135	4.5
232.27075	4.5
261.22101	5.8
263.23514	4.7
279.23212	7.7
291.23157	6.7
303.22943	6.0
305.24774	17.6
317.25021	6.3
347.25464	5.9
353.24704	6.9
371.25769	45.4
389.26886	59.1
407.27942	76.1
425.29138	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01891	4.0
55.05513	22.1
57.03445	6.7
57.07075	12.7
61.40195	3.0
67.05508	67.0
69.03436	54.9
69.07076	36.9
70.13847	3.0
71.04990	4.5
71.08620	6.7
73.53249	3.2
74.09695	4.7
77.70484	2.9
79.05489	17.0
81.03424	93.4
81.07067	100.0
83.04976	5.7
83.08643	24.4
85.02906	29.9
85.06539	4.7
85.10182	3.7
86.66309	3.2
90.30107	3.0
91.05462	15.7
93.07051	26.3
95.08604	73.3
97.02894	32.3
97.06512	5.4
97.10150	13.1
99.04449	18.4
99.08119	3.8
103.75156	3.6
105.07024	7.6
107.08598	25.9
109.02857	14.4
109.10162	33.1
111.08050	4.8
111.11698	4.0
115.23943	3.9
117.07031	4.2
119.08578	18.1
119.66167	4.0
121.10142	28.4
123.11707	13.3
127.03905	17.1
130.15883	4.3
131.08562	4.8
133.10136	18.1
135.11691	14.0
137.13280	7.2
145.10085	3.6
147.11650	12.8
149.09656	3.7
149.13275	7.7
159.11668	3.9
161.13240	14.5
163.14803	5.5
165.16277	3.5
170.56386	3.1
175.14825	4.3
183.96255	3.6
231.82500	3.5
242.49495	3.6
245.22623	8.0
261.22162	4.2
263.23700	36.4
279.23016	5.0
305.24759	4.6
329.24716	3.9
336.87027	3.6
347.25732	4.6
371.25711	15.2
383.01871	3.4
389.26703	20.2
407.28107	24.8
408.34030	6.2
425.28635	40.0
445.41965	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32192	2.2
55.01866	5.0
55.05513	18.6
57.07080	12.6
67.05511	100.0
69.03421	13.1
69.07090	23.8
69.07394	2.9
71.04990	3.8
79.05492	24.6
81.03429	17.6
81.07064	97.5
83.08624	19.2
85.02905	5.2
86.09692	5.8
91.05480	18.8
92.01028	2.7
93.07043	40.2
95.04910	2.8
95.08613	96.8
97.02898	73.1
97.06535	3.3
97.10178	13.1
98.33329	3.0
99.04446	23.1
99.08067	3.2
105.07035	15.2
107.08606	26.2
108.04506	2.7
108.12788	2.8
109.02862	12.6
109.10153	34.9
117.07026	4.0
119.08585	13.2
121.10177	27.8
123.11710	18.5
127.03904	26.1
133.10124	17.1
135.11687	13.2
137.13214	3.5
145.10124	4.1
147.11693	16.0
149.13231	11.2
161.13264	11.6
163.14769	6.3
175.14842	7.0
205.41151	3.0
245.22632	7.2
249.68950	2.7
261.22244	7.4
263.23697	51.8
283.16904	27.6
284.17258	59.2
331.26233	19.0
340.23566	26.7
341.24661	6.1
359.25723	28.6
389.26715	3.9
407.27960	5.8
425.28848	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2897
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
55.01878	6.5
55.05509	29.5
57.03444	6.6
57.07078	10.0
65.22485	3.4
67.05510	87.0
69.03436	37.6
69.07066	39.9
71.05012	4.3
71.08636	9.1
79.05486	39.6
81.03428	69.8
81.06624	4.6
81.07063	100.0
81.33608	3.8
83.05004	7.9
83.08627	24.7
85.02913	10.3
91.05490	27.6
93.07047	54.6
95.04938	10.1
95.08605	96.1
97.02891	20.8
97.06452	4.3
97.10173	18.6
99.04453	8.6
103.79604	4.0
105.07014	33.6
107.08594	43.6
109.10181	38.8
111.04440	6.8
117.07024	9.2
119.08594	32.6
121.06512	5.2
121.10146	36.8
123.51710	4.1
127.03864	8.0
131.08571	29.7
133.06532	6.6
133.10136	30.3
135.08081	4.7
135.11691	24.2
137.13226	5.4
143.08571	7.0
145.10136	17.8
147.11700	10.2
149.09644	7.5
149.13292	21.2
157.10115	6.2
159.11681	5.9
161.13293	9.0
163.14827	6.2
169.89510	5.8
173.13283	5.3
175.14880	7.2
185.13231	6.7
186.08223	4.5
188.80608	4.7
261.22107	10.2
263.23721	7.8
286.95865	4.3
291.23123	6.6
293.24805	9.1
305.24741	10.6
321.24448	4.9
347.25723	9.6
353.24612	5.1
371.25818	35.7
378.46350	5.9
389.26736	37.7
407.27802	74.8
424.06500	5.4
425.28986	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99712	7.2
55.05508	31.4
57.03447	12.7
59.25684	7.9
67.05506	100.0
69.03429	40.6
69.07061	51.4
69.07410	7.2
71.04984	8.6
73.02929	8.7
79.05482	30.7
81.03416	43.0
81.07061	93.9
83.08615	31.1
85.02909	11.3
91.05488	35.6
93.07056	59.5
95.04924	8.1
95.08601	85.4
97.02913	14.8
97.10167	14.6
99.04424	8.8
105.07038	17.5
107.05044	8.2
107.08583	40.9
109.10161	43.7
114.04993	8.3
115.20257	7.7
117.06999	8.3
119.08526	34.8
121.10180	11.4
123.11716	7.9
131.08594	31.0
133.10139	16.3
135.11609	13.4
143.08582	11.6
145.10132	11.5
147.06033	7.6
149.13255	12.1
159.11655	13.3
161.13319	9.3
171.11362	9.1
206.17484	10.4
230.14981	8.7
261.21988	9.7
263.23517	8.9
291.23187	9.9
322.31027	13.4
364.25140	9.3
371.25769	33.3
389.27084	29.5
407.27786	48.4
425.28873	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.05517	16.2
55.60656	3.0
57.03431	4.7
57.07070	5.9
57.19632	2.9
67.05178	4.7
67.05514	76.9
69.03431	17.2
69.07070	30.6
78.64294	3.2
79.05509	25.9
81.03418	6.6
81.06624	4.5
81.07072	100.0
83.08620	25.0
84.24164	3.5
85.02917	5.1
86.09706	8.0
91.05466	20.8
93.07057	31.1
95.08605	86.6
97.02889	66.9
97.10174	5.8
99.04439	16.0
99.08068	6.3
104.53721	3.7
105.07031	15.1
107.08599	26.1
109.02879	8.2
109.10166	45.5
117.07003	5.3
119.08581	17.3
120.84397	3.5
121.10123	22.0
123.10849	4.2
123.11713	17.8
125.09772	4.6
127.03912	20.0
131.08569	6.4
133.10155	17.6
135.11705	9.0
135.35536	3.3
137.13286	5.3
145.04814	3.9
147.11700	18.1
151.14772	4.2
161.13231	6.5
175.14763	4.1
198.95047	3.6
218.28433	4.0
233.48390	3.8
245.22661	6.7
261.22131	7.2
263.23651	66.0
275.23746	5.2
283.16943	17.8
284.17307	44.2
331.26385	13.1
340.23529	21.7
341.24991	12.3
359.25906	21.1
382.64163	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01868	10.0
55.05519	17.0
57.03437	4.0
57.07074	7.5
65.03951	1.7
65.43642	1.6
67.05506	72.8
67.19593	1.7
67.65944	1.5
69.03429	8.4
69.07076	25.3
71.04977	3.4
71.08641	3.5
71.90697	1.8
73.02909	8.4
79.05503	19.0
81.03427	9.5
81.07060	86.2
83.05005	2.7
83.08625	16.1
85.02898	2.2
85.10168	1.8
86.09737	5.6
87.04488	1.8
87.09995	2.0
91.05466	12.4
93.07040	25.6
95.08606	72.1
97.02893	100.0
97.06528	2.2
97.10164	11.8
99.04462	46.7
99.08085	3.6
100.47271	2.1
105.07030	10.5
107.08594	14.6
109.02885	16.0
109.10153	35.9
111.08101	2.0
119.08565	11.6
121.10152	12.8
123.11691	16.0
127.03925	30.8
133.10136	10.0
135.08113	1.7
135.11693	11.1
137.13251	2.9
145.04955	20.1
147.11702	10.9
149.13258	7.9
152.55367	1.8
161.13243	8.7
163.14804	4.0
165.09122	2.6
167.24777	2.1
175.14738	2.7
179.14351	1.6
196.16855	2.3
245.22685	8.0
261.22195	2.0
263.23669	47.5
283.16916	10.8
284.17267	18.6
302.66910	1.8
340.23605	9.7
371.25748	2.8
391.46411	1.8
407.27994	3.3
425.29123	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.8
64.99426	1.2
67.05504	5.8
69.07072	1.4
70.46205	1.2
81.07067	5.8
83.08646	2.4
93.07030	2.6
95.08626	6.3
105.07056	1.6
107.08590	2.8
109.10148	2.4
119.08588	1.9
119.42349	1.3
121.10117	1.3
133.10139	1.4
135.11731	1.6
149.13257	5.8
161.13274	2.0
166.15959	2.4
178.15944	1.4
195.18613	2.6
196.16977	100.0
210.18539	20.3
212.16542	2.4
213.19652	20.0
227.21191	2.3
260.28406	1.3
262.10046	1.1
288.80658	1.2
303.23145	1.8
320.08841	1.7
321.09396	2.4
331.23010	1.4
376.24771	1.9
389.31253	2.0
390.30014	1.6
393.27426	8.6
407.32614	7.7
408.30972	2.2
425.25082	1.8
425.33881	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15582	2.5
54.37853	2.6
55.05532	4.3
55.09659	2.3
57.07095	2.5
60.03815	2.6
63.71051	2.3
67.05520	22.2
68.33128	2.4
68.57974	2.6
69.07064	13.7
79.05492	12.8
81.07066	49.9
83.08629	6.1
91.05494	17.7
93.07058	22.5
95.08598	45.4
97.06543	4.8
97.10179	12.0
105.07021	15.4
107.08598	19.2
109.10159	31.9
111.08112	4.8
114.35368	3.3
117.07016	4.3
119.08582	21.4
121.06521	4.0
121.10169	32.1
123.11671	6.3
131.08530	20.9
133.10155	25.8
135.11658	23.9
145.10107	18.8
147.11681	17.9
149.09650	3.8
149.13165	10.3
159.11649	4.7
161.13258	18.6
163.11162	4.8
163.14899	4.8
168.26120	3.2
169.10051	3.3
173.13129	3.9
175.14857	6.4
182.15421	34.2
196.16934	6.1
199.18030	5.2
219.17294	3.5
268.20477	3.6
317.28406	3.5
326.28540	4.7
327.26831	19.5
344.29401	24.1
345.27893	59.4
345.31677	5.7
361.32138	16.1
362.30563	33.6
373.27417	3.9
379.33203	86.0
389.31546	20.1
390.30289	5.8
407.32681	100.0
408.30933	5.5
425.33621	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40675	1.1
56.05033	7.2
59.80634	1.1
67.05506	5.5
69.07064	7.0
81.07050	2.3
92.53651	1.3
93.07013	1.5
95.08628	2.9
107.08625	1.6
109.10178	10.0
111.11739	1.6
119.08549	1.7
136.11151	2.2
137.09581	5.4
142.17690	1.3
149.13329	1.3
153.13918	2.3
154.12262	100.0
171.14923	45.2
185.62418	1.2
196.16936	18.0
210.18648	1.5
306.07690	1.6
363.17841	1.5
389.31439	2.3
390.29822	3.1
407.32611	12.1
425.11719	2.1
425.33835	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3406
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.68267	2.0
55.05527	2.7
57.07100	3.0
63.53773	1.9
67.05503	5.2
69.07076	3.3
79.05489	12.6
81.07056	31.3
83.08612	4.0
91.05496	4.8
93.07034	16.9
95.04952	4.4
95.08601	65.9
97.10165	3.2
105.07041	30.0
107.08598	52.9
109.10151	28.3
111.08079	2.5
119.08584	25.8
121.06514	2.2
121.10138	23.7
123.11700	10.5
131.08569	14.3
133.10135	22.7
135.11671	11.7
145.10086	18.7
147.11681	19.2
149.13248	25.8
151.11021	2.7
152.67223	2.7
157.10184	3.6
159.11687	11.7
161.13292	16.5
163.11145	4.5
163.14774	27.4
171.11780	4.4
173.13271	41.8
175.14828	27.2
177.16330	10.0
184.89748	2.5
185.13284	4.3
187.14822	12.2
189.16399	17.8
191.14308	43.6
191.17796	2.8
193.12227	3.9
193.15831	4.6
199.14851	3.4
201.16333	3.3
203.14342	13.8
203.17947	52.4
216.20471	2.5
217.15865	2.8
221.15379	24.2
281.22614	3.0
311.23697	14.3
329.24731	9.2
407.32883	8.7
425.28775	3.5
425.34204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05526	8.5
57.07077	3.2
67.05508	12.7
69.07067	22.0
71.04995	12.2
73.07993	1.7
79.05506	6.7
81.07061	52.2
83.08647	9.2
91.05514	4.1
93.07042	19.5
95.08613	47.3
97.10195	7.8
99.08121	2.0
105.07043	20.8
107.08595	37.6
107.09253	2.4
109.10156	59.4
109.10901	2.4
111.11687	1.8
119.08575	33.0
121.10141	39.2
123.11718	22.9
127.11179	14.8
131.08572	2.7
133.10115	21.3
135.11682	24.5
137.13283	11.7
145.10109	13.7
147.11673	22.9
149.13268	25.3
153.12730	2.4
157.67577	1.5
159.11693	15.4
161.13225	22.5
161.90796	1.6
163.14792	15.0
170.99422	1.6
171.11748	2.8
173.13255	18.0
175.14862	19.9
177.16319	14.4
187.14803	14.4
189.16360	14.7
191.18034	7.0
195.17453	2.2
201.16467	8.2
203.18015	11.3
215.16103	2.4
215.17856	15.3
217.19484	11.6
229.19427	14.0
231.21169	10.0
257.22757	6.8
258.87442	1.7
259.24219	2.5
285.25781	6.6
301.25327	2.7
305.69214	1.7
330.37518	1.7
339.30588	2.8
407.36969	9.2
418.47665	2.1
425.37961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05518	4.2
57.07056	2.4
66.89888	1.7
67.05502	12.6
69.07077	18.7
71.04993	10.1
71.08640	2.6
79.05495	4.6
81.07061	35.6
83.08627	9.7
91.05482	3.7
93.07043	21.1
95.08611	37.0
99.08081	2.1
105.07009	14.9
107.08595	34.5
109.10154	47.7
110.49319	2.3
117.06961	2.0
119.08555	22.7
121.10148	41.5
123.11701	20.2
127.11180	11.0
131.08543	3.6
133.10132	23.6
135.11690	32.4
137.13283	4.2
137.32079	2.1
145.10139	14.0
147.11690	22.8
149.13263	23.0
159.11684	21.4
161.13266	18.6
163.14796	11.5
163.93568	1.9
173.13278	16.3
175.14937	16.8
177.16455	9.0
187.14854	9.3
189.16386	12.5
191.17934	4.4
201.16365	8.8
203.17967	15.6
215.17979	10.1
217.19481	11.2
227.18202	2.9
229.19490	13.0
229.82355	2.7
243.21117	2.7
257.22791	3.8
259.24164	2.7
285.25812	3.1
322.41617	2.1
349.96216	2.3
407.36725	3.1
425.37848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	3.6
57.07079	9.0
67.05505	11.6
69.07078	15.9
71.73647	1.9
79.05495	2.4
81.07065	69.4
83.08634	11.0
91.05482	3.2
93.07048	16.7
93.37119	1.6
95.08610	100.0
95.97425	1.8
96.55994	1.9
97.10164	4.2
105.07040	11.1
105.96806	1.7
107.08606	23.8
109.10167	37.2
119.08566	14.7
121.10141	22.9
123.11702	30.5
124.03960	4.0
131.08588	7.9
131.61903	1.5
133.10146	16.4
135.11688	24.3
137.13261	58.9
143.08536	3.2
145.10147	12.1
147.11690	15.4
149.13269	15.1
156.58832	1.8
157.10201	2.4
159.11670	10.8
161.13306	14.8
161.14445	2.1
163.14781	9.6
171.11705	3.0
173.13268	9.7
175.14854	6.5
177.16399	7.5
179.18022	3.0
185.13228	6.7
187.14830	10.7
189.16388	8.4
191.17966	8.0
199.14857	6.5
201.16431	11.2
203.18022	6.2
205.19484	6.8
213.16321	7.0
215.17963	8.7
217.19484	7.8
219.17404	2.9
227.17969	8.3
229.19417	7.4
245.19080	2.1
255.21056	3.9
257.22604	3.7
269.22626	2.7
273.22263	2.2
283.24133	2.4
313.28085	2.0
329.97717	2.0
407.36868	17.5
425.31253	8.2
425.37787	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1181
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
67.01062	0.7
69.03424	0.8
70.06606	0.7
81.03429	1.6
85.02940	1.1
91.05485	1.0
97.02876	0.8
99.04457	10.8
100.04780	3.6
102.72915	0.7
111.48639	0.8
117.05479	1.0
120.08126	1.1
121.06481	3.9
132.08107	7.0
136.29848	1.0
147.04382	5.6
166.08621	1.1
173.06018	1.3
178.08662	1.0
219.01151	0.9
224.12473	0.9
242.11809	1.7
255.08794	1.6
256.09561	1.2
268.09787	3.6
284.09265	14.0
284.12247	1.5
322.11096	1.2
328.08218	5.0
336.12390	1.7
346.11005	1.7
364.11798	17.2
380.11340	58.8
380.16937	9.2
382.12811	23.4
390.15561	1.2
408.11185	1.1
408.16702	3.7
426.11887	100.0
426.17609	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73655	0.4
78.56502	0.5
120.05752	0.9
121.06509	0.5
135.08089	0.7
148.05176	0.7
163.07570	1.2
175.07649	1.2
176.04677	15.1
190.04990	70.1
191.07028	100.0
195.06537	3.2
219.06493	5.3
237.07565	15.6
290.71988	0.6
320.05478	0.7
320.09122	0.8
342.04065	0.6
349.09494	0.9
364.07867	0.9
366.09592	0.7
408.10904	4.1
426.11584	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1181
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
50.34713	0.1
54.59375	0.1
58.06609	0.2
63.15144	0.1
67.30797	0.2
70.06593	0.3
127.03970	0.2
132.08076	0.3
167.58911	0.2
177.14969	0.2
211.60184	0.2
232.98714	0.2
248.08929	0.2
251.09343	0.2
264.12241	0.3
268.09769	0.4
276.10513	0.2
278.08057	0.3
279.08963	0.2
280.09579	0.2
292.09692	0.8
293.10394	0.2
294.07596	0.8
294.11111	0.5
296.05737	0.4
296.09134	4.8
308.09134	0.4
310.10571	0.4
312.08859	0.3
320.09180	3.4
320.12772	0.3
321.10043	0.2
322.07178	0.3
322.10803	0.7
328.12045	0.2
336.08655	0.2
336.12399	0.4
337.09537	0.7
338.10287	1.3
339.11035	1.3
340.08350	1.9
348.08835	0.2
363.10684	0.3
364.11777	1.6
380.11404	2.0
381.11981	0.9
382.12845	1.5
383.10129	0.3
387.64999	0.2
398.12457	0.2
408.10870	1.0
426.11816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1185
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
53.31637	0.6
56.40384	0.7
64.29759	0.6
91.05493	1.2
92.50529	0.7
119.04934	2.7
137.05923	1.1
149.05981	22.7
157.93744	0.7
165.05557	1.0
174.05499	1.6
175.04021	0.8
176.04668	1.1
189.05505	3.3
191.07045	9.3
192.06557	14.5
193.04951	3.0
207.06516	8.5
217.05063	2.0
235.06027	1.7
278.07950	0.9
319.08575	1.4
324.08636	4.2
334.06985	1.0
334.10764	4.6
338.10425	13.8
339.10992	4.8
352.08145	3.7
366.09689	7.9
380.11218	1.1
398.10159	3.2
408.10770	10.7
426.11780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75119	0.3
57.46593	0.3
63.55032	0.3
64.92109	0.3
104.71964	0.3
278.08145	0.8
318.07632	0.8
319.08344	1.6
320.09109	1.2
334.10684	2.8
335.11118	0.4
336.11868	0.6
364.12134	0.4
368.12994	0.7
370.14331	1.7
378.11670	0.4
383.11356	1.3
385.15378	0.8
392.11890	0.4
393.11868	1.8
398.13876	14.0
408.14325	4.1
417.26859	0.4
426.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	12.9
63.65648	0.8
67.03947	1.1
67.04248	12.5
67.05497	1.0
68.05029	2.1
68.50702	0.9
69.03468	1.3
70.06594	9.3
71.06940	1.6
78.54340	1.1
84.31979	1.0
85.02901	1.2
86.09708	1.3
95.06102	7.2
99.04400	1.4
101.89398	1.0
111.05546	4.7
112.73130	1.1
116.07095	1.1
121.06462	1.6
125.01701	45.1
125.02612	1.6
126.02472	12.0
127.03262	89.6
133.02866	1.5
148.06026	1.4
152.04672	1.8
155.01521	1.2
167.01657	4.0
167.07060	2.1
178.08588	4.8
185.09589	1.1
192.06499	1.3
199.64432	1.1
213.12297	1.8
213.97299	1.1
214.12675	4.8
215.08147	2.4
227.09135	1.3
229.09799	1.3
231.41621	1.2
248.06104	2.2
258.13269	1.9
259.05356	5.7
260.03604	1.4
261.06940	6.5
264.12262	2.4
277.06400	65.5
305.06015	1.2
323.03357	1.8
323.06949	37.4
339.06589	1.9
382.14325	100.0
426.13120	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.9
60.07917	1.1
60.08170	16.4
67.04247	13.2
68.05011	1.1
70.06590	1.3
70.32867	0.8
84.04504	2.2
85.02873	1.3
86.09701	3.8
95.06097	7.7
95.83076	0.8
97.19482	0.9
99.01355	1.1
102.05502	1.6
111.05536	7.9
121.06457	1.2
123.66564	0.9
125.01690	51.9
126.02457	10.4
127.03255	100.0
130.05046	3.3
132.10167	1.1
133.02847	1.2
134.04480	1.1
148.06033	4.8
151.03931	2.1
164.07036	4.9
166.08720	1.1
167.01607	4.5
178.08679	1.0
215.08122	4.8
232.04189	1.6
241.63864	1.1
248.06216	1.2
249.06845	1.4
252.17090	1.2
259.05304	5.8
260.03696	1.4
261.06854	9.8
277.06396	77.6
280.95050	0.9
293.05719	1.1
295.07126	1.1
305.05768	1.6
323.06921	44.7
339.06491	1.4
382.14267	94.6
426.13229	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37049	0.2
56.66802	0.2
57.35179	0.2
58.33593	0.2
69.11706	0.2
70.63454	0.2
92.21516	0.4
109.34306	0.2
111.06335	0.2
116.27208	0.3
162.96498	0.2
196.17078	0.2
225.50908	0.3
278.07935	0.3
297.11264	0.3
319.08405	0.5
334.10764	0.9
340.13287	0.3
355.11685	0.4
368.12912	0.5
369.10321	0.4
370.14297	1.7
382.10910	0.4
383.11276	1.6
396.09473	0.3
396.12314	0.3
398.13885	14.9
410.11191	0.4
411.11652	0.3
424.11661	0.3
426.13330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37049	0.2
56.66802	0.2
57.35179	0.2
58.33593	0.2
69.11706	0.2
70.63454	0.2
92.21516	0.4
109.34306	0.2
111.06335	0.2
116.27208	0.3
162.96498	0.2
196.17078	0.2
225.50908	0.3
278.07935	0.3
297.11264	0.3
319.08405	0.5
334.10764	0.9
340.13287	0.3
355.11685	0.4
368.12912	0.5
369.10321	0.4
370.14297	1.7
382.10910	0.4
383.11276	1.6
396.09473	0.3
396.12314	0.3
398.13885	14.9
410.11191	0.4
411.11652	0.3
424.11661	0.3
426.13330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37049	0.2
56.66802	0.2
57.35179	0.2
58.33593	0.2
69.11706	0.2
70.63454	0.2
92.21516	0.4
109.34306	0.2
111.06335	0.2
116.27208	0.3
162.96498	0.2
196.17078	0.2
225.50908	0.3
278.07935	0.3
297.11264	0.3
319.08405	0.5
334.10764	0.9
340.13287	0.3
355.11685	0.4
368.12912	0.5
369.10321	0.4
370.14297	1.7
382.10910	0.4
383.11276	1.6
396.09473	0.3
396.12314	0.3
398.13885	14.9
410.11191	0.4
411.11652	0.3
424.11661	0.3
426.13330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
77.87820	0.3
125.41183	0.3
173.06693	0.3
290.08087	0.4
332.09088	0.8
380.12909	0.7
381.09979	0.4
396.12381	0.7
398.13968	2.6
408.12494	2.6
410.10419	0.5
411.11115	0.5
426.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21137	0.2
70.29977	0.2
92.20897	0.4
104.32159	0.2
125.94493	0.2
202.68259	0.2
213.71933	0.2
276.10330	0.3
290.08249	0.2
292.09692	0.3
319.08093	0.3
320.08984	0.4
332.09134	0.5
334.10770	0.3
336.11978	0.2
353.15875	0.2
360.54791	0.2
366.11328	0.3
380.13046	0.4
393.09552	0.3
395.11084	0.2
396.12515	1.2
398.13898	4.0
408.12381	3.6
411.10858	0.3
424.11694	0.7
426.13342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06604	0.3
56.84655	0.3
64.48474	0.3
70.98493	0.3
129.13541	0.3
136.56850	0.4
276.06339	0.5
322.11096	0.5
380.12875	0.6
393.10114	0.4
398.13803	4.4
408.12161	3.2
426.13330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87132	0.3
61.24076	0.3
62.88910	0.2
67.11846	0.2
78.69730	0.3
88.20293	0.3
106.11069	0.3
120.08043	0.4
274.08499	0.3
290.08279	0.3
300.57874	0.4
303.23416	0.3
380.12762	0.4
382.10291	0.3
391.12180	0.4
396.12439	0.6
398.13809	4.0
408.12128	3.1
410.10019	0.3
411.10849	0.5
426.13315	100.0
450.13879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16338	0.3
71.74348	0.4
74.97781	0.3
78.33051	0.4
79.18894	0.3
99.21011	0.3
106.69410	0.4
107.96198	0.4
158.68336	0.4
219.43330	0.4
255.35825	0.4
275.69250	0.4
282.25052	0.4
318.07666	0.5
332.09155	0.5
336.12186	0.5
357.36176	0.4
380.12738	0.5
396.12384	0.8
398.13901	3.8
408.12842	2.9
411.10965	0.5
426.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40157	0.3
69.40163	0.3
105.19691	0.3
134.88333	0.3
144.69580	0.4
212.22369	0.4
215.34512	0.3
216.02713	0.4
241.51401	0.4
258.18741	0.4
267.24255	0.4
380.13074	0.6
396.12558	0.7
398.13889	3.7
408.12289	3.3
410.10144	0.5
424.11624	0.5
426.13339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.154
Annotation	Unknow
Peak:m/z	Relative Intensity
76.01901	0.8
78.87236	0.8
158.21428	0.9
193.66626	0.9
196.16922	1.3
197.17325	1.1
271.44629	1.0
285.08191	0.8
307.36545	1.1
308.09167	21.7
320.09055	4.0
322.07187	4.5
336.08575	20.5
337.09421	41.8
352.11780	100.0
364.07956	1.3
396.10696	8.4
410.13876	6.1
426.15567	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1698
Annotation	domperidone
Peak:m/z	Relative Intensity
57.07089	1.2
58.24900	1.0
61.94450	1.1
67.05502	1.3
73.69007	1.1
73.95483	1.2
75.43424	1.2
77.60690	1.1
86.09753	1.5
87.00336	1.2
105.07042	1.5
113.63670	1.3
123.11727	1.8
134.99165	1.2
135.06065	1.4
189.00655	1.4
196.17044	2.4
302.08197	8.6
316.09756	6.9
320.09183	27.5
345.29813	1.8
346.28174	5.0
360.99637	1.4
380.33475	2.4
392.12949	12.3
393.13602	24.7
394.14633	1.9
396.12296	40.0
396.16901	2.0
408.33197	5.4
410.14026	11.4
411.14798	8.7
426.17081	100.0
426.33896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48588	2.4
58.06599	3.7
65.30692	2.9
79.42259	2.9
81.03409	20.3
81.08862	3.7
85.02891	4.2
89.35970	3.0
91.05476	70.2
97.02892	18.7
99.04455	41.3
108.04485	2.8
109.02957	4.4
112.03933	5.0
120.04472	7.0
120.08102	54.6
125.04731	61.9
126.05460	3.3
130.06532	25.8
132.08095	37.0
134.09645	3.7
143.05777	7.4
156.08040	4.3
162.09109	6.9
166.08636	16.3
176.07031	6.3
178.08653	3.3
182.09625	4.2
201.09151	4.4
210.09123	34.2
228.10202	22.4
246.11244	16.1
256.09680	25.6
264.12195	28.2
274.10727	18.0
284.34845	3.2
292.11728	17.3
295.67120	3.2
310.13055	22.5
390.15466	100.0
408.11505	5.4
408.16492	73.0
426.12207	7.7
426.17520	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
53.66817	0.6
69.03432	1.1
78.82658	0.7
81.03423	1.9
81.51717	0.8
83.04958	0.7
85.02893	1.1
91.05448	2.7
97.02904	1.3
98.93066	0.7
99.04446	22.5
100.04813	4.7
101.58765	1.0
103.05463	4.3
105.07032	1.5
107.04958	1.9
110.07187	0.8
117.05503	1.5
120.08060	2.8
121.06507	6.0
125.04656	1.1
127.03935	1.1
131.04935	4.2
132.08080	27.3
134.09636	1.0
139.55627	0.7
144.08118	1.4
147.04411	3.6
153.05391	0.9
153.71794	0.8
178.08636	3.9
242.11772	5.9
255.08946	1.2
256.09555	0.8
260.12732	0.9
264.12314	1.2
268.09628	3.3
272.12808	1.0
284.09155	14.3
284.12723	5.2
288.12421	1.2
302.13791	3.5
326.13785	1.6
328.08133	6.0
330.13293	0.9
336.12045	2.6
344.14886	1.8
346.10706	2.0
362.16022	6.5
364.11774	18.8
378.33356	0.8
380.11230	59.7
380.16919	26.5
382.08157	1.2
382.12787	25.8
390.14618	0.9
408.16849	2.7
426.11710	100.0
426.17499	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48588	2.4
58.06599	3.7
65.30692	2.9
79.42259	2.9
81.03409	20.3
81.08862	3.7
85.02891	4.2
89.35970	3.0
91.05476	70.2
97.02892	18.7
99.04455	41.3
108.04485	2.8
109.02957	4.4
112.03933	5.0
120.04472	7.0
120.08102	54.6
125.04731	61.9
126.05460	3.3
130.06532	25.8
132.08095	37.0
134.09645	3.7
143.05777	7.4
156.08040	4.3
162.09109	6.9
166.08636	16.3
176.07031	6.3
178.08653	3.3
182.09625	4.2
201.09151	4.4
210.09123	34.2
228.10202	22.4
246.11244	16.1
256.09680	25.6
264.12195	28.2
274.10727	18.0
284.34845	3.2
292.11728	17.3
295.67120	3.2
310.13055	22.5
390.15466	100.0
408.11505	5.4
408.16492	73.0
426.12207	7.7
426.17520	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98794	0.4
53.03945	3.7
53.96399	0.5
57.03458	0.6
59.51210	0.5
61.02918	0.6
65.68089	0.5
68.15759	0.5
68.28111	0.5
69.03433	6.0
70.06602	0.8
71.05011	0.9
73.02934	0.7
80.97754	0.6
81.03424	12.2
85.02905	9.6
97.02883	4.3
99.04456	64.4
109.02887	4.6
121.06489	1.2
123.04455	0.9
123.67756	0.6
127.03899	5.2
131.04868	0.8
137.05989	10.0
145.05049	1.2
149.05972	6.4
154.78053	0.6
162.96646	0.6
164.07146	2.9
165.07779	0.8
166.07275	9.5
166.08612	100.0
208.09674	1.3
286.91821	0.7
309.73593	0.6
426.17566	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08871	1.2
53.03957	2.1
55.01879	1.7
55.39841	1.1
58.06599	1.4
58.57305	1.4
69.03425	2.3
71.04983	1.6
77.40536	1.4
81.03400	8.7
82.73387	1.3
85.02885	8.5
90.05532	3.0
91.05470	1.7
93.07044	2.6
97.02883	7.3
99.04456	48.2
105.94789	1.6
107.04861	1.5
109.02854	6.5
113.83735	1.5
116.03399	1.4
121.06511	37.7
124.07554	2.0
125.06067	1.5
127.03911	7.4
132.06523	1.4
137.05971	9.5
145.04935	2.1
149.05940	3.3
164.07051	10.4
164.10504	1.4
166.07222	7.8
166.08598	62.2
178.08636	9.6
184.09705	1.8
192.10237	1.6
202.10698	6.2
208.09692	3.3
220.79677	1.6
228.46420	1.5
242.11757	1.4
325.88818	1.5
328.13962	5.8
336.77573	1.4
346.14993	1.8
364.15952	3.4
408.16415	5.7
426.17435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1912
Annotation	Merredissine
Peak:m/z	Relative Intensity
52.53360	0.5
58.06611	100.0
71.61188	0.6
76.44396	0.6
92.21125	0.9
97.25130	0.7
147.01735	0.6
211.44560	0.6
239.07022	26.1
253.08585	17.4
253.10982	0.9
257.08173	1.0
281.08124	20.0
294.42834	0.9
340.73203	0.6
364.11813	1.0
381.13309	13.7
426.19125	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	100.0
62.80008	1.0
81.61903	1.1
101.20403	1.0
122.10516	1.3
211.46126	1.2
239.07034	24.0
253.08615	17.7
281.08145	24.8
294.11133	1.3
319.08722	1.9
322.11008	1.7
334.10733	1.6
336.12143	2.2
367.84293	1.4
381.13300	12.8
426.19333	91.4
426.24054	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	100.0
62.80008	1.0
81.61903	1.1
101.20403	1.0
122.10516	1.3
211.46126	1.2
239.07034	24.0
253.08615	17.7
281.08145	24.8
294.11133	1.3
319.08722	1.9
322.11008	1.7
334.10733	1.6
336.12143	2.2
367.84293	1.4
381.13300	12.8
426.19333	91.4
426.24054	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2636
Annotation	Diprenorphine
Peak:m/z	Relative Intensity
64.10213	0.9
67.05498	1.8
69.03387	0.9
69.07059	1.4
70.23650	0.9
79.05487	1.9
81.07063	2.1
91.05470	4.3
92.65415	1.0
93.07024	7.6
95.04964	1.8
95.08616	0.9
97.06494	0.9
103.05470	1.3
105.07016	1.2
107.04955	3.5
107.08562	1.6
109.06514	1.8
109.10117	1.4
117.07020	1.3
119.08553	1.4
121.06500	100.0
121.10190	1.6
122.09661	1.2
123.72652	0.9
124.07590	21.8
126.09125	3.3
131.57872	1.0
133.10139	3.7
135.11697	5.8
136.06203	4.3
138.09146	8.3
145.10135	3.7
150.09160	4.0
152.10733	2.0
159.11722	1.1
163.11159	14.7
164.07137	0.9
164.10709	4.7
171.11638	1.6
176.10709	1.6
180.10190	3.7
190.12306	1.9
244.13356	5.3
245.13939	1.8
246.14992	1.3
260.20221	2.0
270.15137	1.3
270.18497	4.8
288.19562	12.1
293.82462	1.0
340.09213	1.0
345.90155	0.9
390.24252	1.4
395.13495	1.0
408.25235	17.5
426.26352	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
67.05509	1.2
75.03026	0.6
78.40086	0.6
79.05494	0.9
81.07056	1.4
83.08624	0.7
88.02592	0.7
91.05482	4.1
92.20892	0.8
93.07043	8.4
95.04923	1.2
95.08627	0.9
102.57151	0.6
103.05480	2.7
105.07044	1.1
107.08594	1.3
109.10138	0.8
110.06036	0.8
119.08609	0.9
121.06505	96.4
121.10201	1.0
124.07581	10.4
125.09695	0.6
126.09158	1.3
131.08578	0.9
133.10156	1.2
134.97054	0.6
135.11711	2.8
136.06184	0.9
136.07622	0.8
138.09149	4.1
142.61400	0.7
145.10126	3.7
150.09161	3.5
152.10739	0.9
159.40184	0.7
162.09138	0.8
163.11203	8.8
164.10738	3.0
176.10701	1.0
178.12288	1.2
190.12291	2.5
192.13834	4.2
202.12300	0.8
218.15395	0.9
220.13362	1.1
225.16559	0.8
243.17383	0.9
244.13335	4.0
246.14844	0.8
258.14944	0.8
260.20050	4.6
270.18436	5.9
288.19537	21.8
306.20599	4.2
323.80988	0.7
333.24112	0.7
337.09271	0.9
352.11758	3.5
408.25406	12.6
426.16748	2.7
426.26382	100.0
435.64438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.0
55.05519	8.6
57.03429	15.2
61.38845	3.6
67.05505	44.4
69.07065	35.7
69.27968	2.8
71.05001	4.3
75.48664	3.0
79.05491	40.2
81.03417	24.4
81.07059	54.8
83.08616	17.2
85.06547	5.0
91.05486	39.6
92.01435	4.0
93.07033	52.1
95.04958	8.0
95.08614	37.1
97.06529	8.8
97.10133	3.9
99.04456	100.0
102.33429	3.4
105.07045	41.5
107.08608	37.8
109.10146	42.7
111.08141	4.3
117.07031	22.0
119.08583	41.1
121.06503	20.9
121.10163	24.7
123.07996	6.5
123.11699	4.7
125.09640	4.1
129.07033	4.1
131.08574	28.8
133.10118	41.9
135.08067	5.1
135.11681	19.7
137.09630	7.2
143.08563	6.0
145.10117	21.2
147.11670	22.6
149.09599	14.4
149.13284	4.0
155.08551	5.6
157.10072	6.4
159.11678	23.9
161.13242	6.7
163.11189	4.8
173.11810	4.2
173.13258	15.0
176.87717	3.9
177.12791	3.9
181.12257	19.5
185.13254	7.9
191.22382	3.7
195.13831	8.9
199.13251	5.2
203.14255	4.3
213.14850	6.0
222.61113	3.8
235.17049	12.5
239.17944	3.8
257.19028	19.8
275.20029	86.7
293.20993	4.0
312.50473	3.8
373.23727	8.0
391.24332	5.8
426.25742	5.1
426.31259	5.5
445.93802	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
55.01876	2.9
55.05514	16.7
56.05038	2.3
57.03437	4.3
57.07072	4.2
62.39075	2.4
63.09245	2.6
67.05509	53.7
69.03438	2.9
69.07059	19.7
79.05492	27.7
81.03413	18.6
81.07059	59.4
83.04986	5.8
83.08610	13.8
91.05466	20.0
93.07043	46.6
95.04953	12.7
95.08588	31.1
97.06521	6.6
97.10167	3.6
99.04449	100.0
105.07040	28.9
107.04979	5.5
107.08593	33.1
109.06519	6.6
109.10149	16.3
117.07004	6.7
119.08586	23.7
121.06519	10.8
121.10155	25.0
123.08070	3.4
123.11645	3.9
125.09548	2.8
129.07016	2.9
131.08563	15.8
133.10120	37.1
135.08040	3.8
135.11691	25.5
143.08546	3.7
145.10123	18.9
147.11710	15.5
149.09613	12.6
149.13246	13.9
155.08389	3.0
157.10123	4.9
159.11670	12.8
161.13229	4.3
163.11162	4.9
169.10017	3.7
173.11705	11.0
173.13182	5.5
177.12700	4.5
181.12186	21.1
188.92953	2.7
195.13818	34.7
199.13319	6.7
213.14836	25.5
239.17998	3.9
245.40767	3.0
257.18890	4.0
275.20050	63.2
293.21014	3.3
295.34323	3.3
335.66492	2.9
373.23840	4.3
391.24347	3.2
408.25394	4.5
426.31836	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.05513	8.6
57.03447	3.4
63.52074	2.1
65.22971	1.9
67.05510	23.3
69.03439	2.9
69.07076	9.9
71.04989	2.6
79.05490	32.5
81.03412	20.0
81.07063	26.3
83.08624	2.3
91.05476	27.8
93.07048	39.1
95.04973	5.4
95.08612	19.0
97.06485	2.6
97.10175	2.4
99.04455	100.0
99.08092	24.7
105.07041	27.9
107.08581	16.6
109.06576	2.2
109.10149	11.8
117.07011	11.6
119.08557	21.0
121.06529	3.1
121.10142	14.0
123.08013	3.3
125.09652	2.4
129.06979	5.3
131.08578	20.0
133.10127	24.8
135.11716	12.1
143.08569	2.6
145.10129	12.4
147.11671	16.4
149.13249	3.7
157.10118	3.2
159.11670	16.5
161.13313	4.1
163.11122	2.5
173.13254	5.5
179.14273	2.2
185.13312	4.5
199.14847	2.3
203.14359	2.5
241.19330	2.4
259.20474	17.2
275.20068	11.6
277.21628	3.3
279.82446	2.5
357.40134	2.2
375.25293	14.3
380.61688	2.4
426.30795	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75476	3.5
55.52880	3.4
57.03441	9.3
57.07084	43.7
58.01060	3.7
67.05479	4.4
69.07079	4.6
71.08625	36.4
71.53771	4.3
75.04475	43.8
83.08604	6.5
85.10183	20.4
97.10157	10.7
98.98450	30.7
124.01588	4.3
193.50638	4.3
214.03867	5.1
245.81378	4.5
383.25607	100.0
426.29739	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2999
Annotation	Veralodine
Peak:m/z	Relative Intensity
55.05501	0.9
59.19983	0.5
62.34997	0.6
67.05503	4.9
69.07078	1.0
76.05003	0.7
76.11035	0.7
79.05492	2.8
81.07086	4.8
83.08604	0.7
85.02872	0.7
91.05489	1.6
93.07054	4.9
95.04964	0.9
95.08619	3.8
103.05465	2.6
105.07030	2.7
107.08584	3.5
109.10167	2.6
113.34043	0.7
114.09146	0.7
119.43687	0.6
120.08101	100.0
121.10128	2.7
131.04921	1.5
133.10078	1.0
135.11659	2.6
142.08633	0.8
145.10155	0.9
149.06004	2.6
163.14877	0.9
164.07056	2.7
166.08633	46.4
173.13246	0.7
243.21074	1.2
261.22116	4.2
310.90479	0.8
380.29388	1.3
398.32730	0.7
426.29935	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63297	1.7
55.05525	2.9
56.05054	3.5
57.07057	3.8
60.04527	14.5
67.05505	12.8
69.03435	2.3
69.07068	16.4
79.05484	4.0
80.05004	2.2
81.03387	2.0
81.07070	12.3
83.04991	12.6
83.08638	3.3
84.04463	1.8
91.91146	1.8
93.07074	3.9
95.04983	2.4
95.08604	9.9
97.02874	2.4
97.06638	2.5
100.07587	2.6
105.07096	2.8
107.08575	3.1
107.93485	2.5
108.08104	3.7
109.10161	2.9
110.06046	19.1
111.04462	3.4
112.07637	16.3
113.06036	22.0
121.10133	2.3
124.07607	3.8
128.07080	9.9
128.16640	2.3
130.08633	8.0
136.07605	11.7
138.09160	3.8
148.07536	2.5
152.07065	12.6
154.08629	34.0
156.10196	13.5
166.08604	11.0
170.08115	10.0
172.09697	14.8
184.09709	10.3
184.63521	2.0
408.31104	65.3
426.32144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04914	0.3
55.69003	0.3
55.92177	0.3
56.46777	0.3
58.06604	2.0
58.29582	0.3
60.46285	0.3
64.47249	0.3
67.12119	0.3
70.06580	2.1
79.99945	0.4
83.66004	0.3
84.08165	0.5
86.09717	0.7
91.05505	0.5
92.20896	0.4
99.04475	2.7
108.99577	0.3
110.07174	0.4
116.07114	0.7
120.08087	0.9
147.41736	0.4
163.03908	0.7
165.06931	0.5
169.80814	0.3
181.09700	0.7
207.06653	0.4
225.29451	0.3
288.09030	1.9
291.07623	0.4
294.17743	0.4
295.14377	0.5
306.09976	1.8
309.08734	2.1
312.19046	0.5
321.08771	1.4
322.09470	3.3
323.10318	0.5
324.11063	10.0
333.12473	1.8
337.11832	1.8
349.08194	0.6
349.11847	4.7
350.09177	0.5
350.13171	0.4
351.13397	10.4
352.10266	0.4
363.10129	0.4
365.11346	12.3
365.20221	0.4
367.12860	12.1
391.12616	0.6
391.17709	0.5
393.10931	0.4
394.11496	0.8
409.17203	2.0
411.12213	0.6
414.52261	0.3
427.15005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1496
Annotation	Anhydrotetracycline
Peak:m/z	Relative Intensity
53.08247	0.4
59.60313	0.5
76.35088	0.4
147.04355	0.6
150.07745	11.7
154.93109	0.4
163.41780	0.4
202.08836	0.5
204.20251	0.5
277.43552	0.6
288.08945	1.9
295.11539	2.8
306.09882	1.6
307.11084	0.5
309.08734	2.2
321.08777	0.9
322.09348	4.8
324.11050	9.8
337.11963	1.9
349.11884	4.7
350.08905	0.7
351.13388	9.6
363.09677	1.0
365.11292	10.6
367.12872	12.3
367.23523	0.5
390.70917	0.5
394.11578	0.7
411.12000	0.7
427.15005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30306	0.2
56.50566	0.2
58.21005	0.2
61.79913	0.2
66.33518	0.2
115.14675	0.2
116.07114	0.3
119.65170	0.3
120.08096	1.8
121.06506	0.3
132.08131	0.3
143.08597	0.3
147.04439	0.3
150.07751	100.0
171.07994	0.6
194.51299	0.2
198.09143	1.0
203.52841	0.2
204.37622	0.3
246.11292	0.5
264.12265	0.3
282.11862	1.0
295.11493	25.2
298.31561	0.3
306.13931	0.3
343.16467	1.5
356.01224	0.3
372.20111	0.3
373.17276	0.2
391.18561	1.6
427.15677	1.0
427.20886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.4
67.10044	0.4
70.06580	2.3
85.02919	0.4
86.09723	0.8
91.05431	0.4
99.04466	0.5
118.36778	0.4
130.02132	0.4
150.07750	100.0
181.09744	0.7
282.12119	0.6
294.17810	0.4
295.11481	24.6
313.11301	0.4
324.08572	0.9
365.10968	0.4
409.17130	0.5
427.14984	4.6
427.25107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	1.8
59.16785	0.3
59.42102	0.3
72.54172	0.3
81.03444	0.3
85.02854	0.4
91.05488	1.2
99.04459	1.5
113.08560	0.3
120.08102	0.7
121.08423	0.5
125.04753	1.3
131.06839	0.6
132.08057	0.4
133.08459	0.3
135.85695	0.3
136.04817	0.3
150.07753	100.0
159.37459	0.3
165.07028	0.3
180.38274	0.3
211.09473	0.5
229.10518	0.7
282.11877	0.7
293.11887	0.3
295.11499	25.4
311.13419	0.4
391.15848	3.6
409.17169	2.4
427.15649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76154	1.1
54.31151	1.0
54.57405	1.1
58.06611	11.3
58.41541	1.0
62.68438	1.2
67.05510	2.5
69.03435	3.1
69.07079	5.2
70.06593	1.8
80.05029	1.6
85.02909	20.2
86.06071	48.9
91.05466	2.4
94.06585	15.4
95.04969	2.0
98.06069	1.8
99.04480	2.5
101.06024	1.5
109.04775	1.3
110.06039	9.5
110.08494	1.4
111.04419	2.8
112.03960	9.0
112.07601	6.0
113.02382	2.7
117.05476	13.6
120.08089	14.5
122.06027	44.0
123.00781	17.7
123.04420	2.8
124.07626	2.0
125.06015	1.8
127.03907	2.4
134.06000	1.4
134.72446	1.3
135.04382	1.3
136.07610	2.1
138.05501	9.0
140.07077	49.6
141.05510	1.2
143.08531	1.8
144.90732	1.4
147.04390	1.9
150.07758	64.9
150.08929	3.6
152.07068	1.5
153.01823	2.0
154.05016	5.6
154.08643	1.9
155.03397	5.7
162.05539	1.9
171.08034	5.7
181.09761	2.4
194.08200	2.8
195.06496	1.7
196.09587	1.5
198.09132	8.4
203.05341	1.4
220.06071	1.9
265.15390	1.8
288.10776	100.0
295.11414	16.7
297.16028	1.9
324.73474	1.4
343.16425	15.0
391.18594	7.7
409.15686	2.4
409.20416	1.9
427.16803	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17154	1.4
56.77249	1.4
105.07022	3.0
128.20395	1.5
133.06451	3.3
136.05193	3.2
148.05179	6.9
159.08072	2.3
161.05965	3.7
166.06271	25.5
171.08054	2.9
174.26056	1.9
175.07556	6.8
181.06958	3.2
181.08588	100.0
184.05147	2.3
190.06273	25.1
191.07004	3.5
199.07524	45.3
205.08594	52.3
218.32924	2.0
239.91982	1.8
261.09119	9.1
265.12018	2.5
273.09082	3.9
275.10632	2.7
276.11432	3.4
277.08591	7.1
277.11826	2.0
278.09433	2.0
289.08502	16.0
289.11359	1.9
290.09256	6.9
291.10141	2.5
293.11688	11.0
303.10104	9.8
304.10889	9.4
305.08105	6.5
305.11691	24.1
306.08887	3.5
307.13281	2.9
320.09683	2.0
321.11182	55.2
335.12802	13.7
336.13544	64.1
337.10779	2.6
339.16010	2.5
340.12936	2.0
352.12308	2.1
367.15405	64.5
427.13361	9.0
427.26605	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35195	1.8
56.12702	1.8
59.67527	1.7
97.08307	2.1
105.07006	2.7
110.56434	1.9
133.06464	4.7
136.05241	3.1
148.05197	4.7
160.05203	3.8
161.05907	3.4
166.06229	27.7
175.07556	4.6
181.08586	100.0
184.05266	3.0
190.06242	21.9
191.07040	3.3
199.07536	40.7
205.08609	44.8
232.08588	2.1
233.09770	2.7
260.08401	2.0
261.09149	4.4
273.09302	2.3
276.11465	4.3
277.08719	2.1
278.09454	3.6
289.08633	14.7
293.11749	12.1
303.10068	4.8
304.10840	11.5
305.08167	7.5
305.11713	30.0
306.08588	3.0
321.11218	58.1
335.12622	16.0
336.13531	51.2
337.10596	5.2
352.13101	2.9
367.15366	59.6
381.12180	3.5
427.14163	13.9
427.26651	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76183	2.7
55.49623	2.5
59.12309	3.3
65.38396	2.4
65.53698	2.8
68.21108	3.1
71.10912	3.1
71.97060	2.9
73.61945	2.8
81.07031	3.1
147.04475	4.1
161.05966	3.5
166.06422	3.3
167.07091	23.9
175.07512	4.4
181.08562	25.8
191.07079	26.9
199.07497	17.8
213.09116	3.7
217.78305	4.0
233.09500	3.9
237.92386	3.7
248.08189	3.7
257.05957	4.4
261.09143	13.4
277.08759	10.9
289.08691	31.0
291.06631	4.2
291.10065	4.2
306.08923	16.3
307.09619	25.0
321.11246	100.0
323.09103	19.0
334.10657	5.9
337.10596	27.4
338.11414	64.5
352.13052	76.7
353.13889	43.9
356.51941	4.2
427.12598	6.0
427.17859	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.175
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47884	1.4
69.07056	1.8
80.07030	1.2
81.07053	2.3
95.08575	1.5
103.51636	1.5
105.07041	1.9
133.06471	5.7
136.05209	3.1
137.06056	1.7
148.05211	8.7
151.07579	2.2
159.08069	2.7
160.05145	2.5
161.05963	7.3
163.07573	1.7
166.06239	27.8
169.06328	1.6
171.08005	2.6
175.07561	8.3
181.08591	100.0
184.05276	4.1
188.31055	1.7
190.06255	20.8
191.07016	5.8
199.07530	44.2
205.08578	47.6
205.10373	2.2
233.09547	4.9
243.08049	1.9
250.06726	1.6
261.09018	11.9
262.09961	2.2
265.12332	2.0
273.09064	2.5
275.07187	1.7
275.10449	1.6
276.11420	2.9
277.08582	2.7
278.09317	2.7
289.08536	15.0
290.09348	2.2
291.10269	3.3
292.10928	2.4
293.11710	9.7
303.10104	8.4
304.11053	14.6
305.08057	7.3
305.11716	30.2
306.08905	2.4
307.13342	3.5
320.09378	7.6
321.07678	3.0
321.11209	56.1
335.12781	16.3
336.13535	64.4
337.10672	9.2
352.13187	2.2
367.15384	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38267	8.6
52.43842	9.2
55.05506	9.4
61.07513	8.2
69.07079	17.0
74.71693	7.9
81.07062	20.1
82.29735	8.9
83.08623	12.9
84.37267	9.2
84.56570	9.5
93.06974	10.8
95.08622	22.4
97.06497	20.4
107.08526	16.6
109.06523	15.2
109.10146	13.1
121.06529	16.7
133.10071	14.0
135.60535	9.6
149.09630	12.6
153.98795	10.5
165.65349	10.6
166.06201	40.9
175.07562	14.0
181.08551	94.2
190.06149	13.6
199.07544	52.6
205.08586	45.5
289.08484	16.3
294.79053	11.3
303.10217	11.9
304.10645	12.5
305.11624	25.4
321.11194	55.8
336.13434	53.5
367.15375	70.1
427.35641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	1.5
58.66268	1.1
61.73163	1.4
63.28353	1.2
67.08974	1.2
68.90147	1.3
81.07071	2.5
91.05447	1.9
95.08588	2.2
105.07028	2.4
123.11768	2.0
131.04951	3.1
133.06500	2.7
136.05183	3.0
137.05986	1.9
137.19250	1.6
138.06532	1.5
148.05199	8.1
159.08073	2.8
160.05217	2.5
161.05951	5.7
166.06248	29.5
171.08000	2.8
175.07568	7.2
181.08589	100.0
184.05125	5.3
184.07382	1.8
190.06256	22.6
191.07074	6.6
199.07518	46.0
205.08607	41.7
211.06400	1.8
233.09601	2.1
245.07034	1.9
261.09039	10.4
273.08997	5.4
274.09790	2.6
276.11435	2.2
277.08466	5.8
283.73685	1.4
288.07913	2.0
289.08530	15.4
290.09335	3.4
291.10114	3.2
292.10699	1.6
293.11798	9.5
303.10172	9.8
304.10928	10.6
305.08435	3.8
305.11707	31.5
306.08838	2.1
307.12866	1.9
309.11151	1.7
320.09677	6.4
321.11200	57.6
327.12570	6.1
335.12726	14.8
336.13535	56.7
337.10635	3.4
345.13754	18.1
352.12991	1.7
363.14880	21.4
367.15347	52.8
381.15857	9.0
427.13162	1.9
427.35361	6.9
448.00977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07374	1.2
59.69168	1.1
65.36945	1.0
69.20804	1.1
83.02158	1.2
91.05496	2.2
94.26655	1.1
104.49036	1.1
105.07047	2.0
115.05485	1.5
119.08575	1.4
121.06459	1.6
129.07022	1.4
130.01700	1.2
130.04138	1.6
131.04904	1.4
133.06517	3.1
136.05174	2.5
141.57054	1.3
148.05208	7.9
159.08092	5.3
160.05243	2.0
161.06004	6.9
166.06259	26.6
175.07556	8.2
181.08588	100.0
184.05185	5.4
190.06268	21.3
190.44850	1.4
191.06989	2.2
199.07547	39.7
205.08582	41.2
221.09879	1.8
233.09618	2.2
237.09129	1.3
246.10294	1.3
260.08408	2.6
261.09122	8.8
262.09970	1.6
273.09070	2.5
274.09937	1.7
275.10535	2.6
276.11420	2.0
277.08490	3.2
277.12125	1.6
278.09430	2.3
289.08615	13.4
290.09250	2.2
291.10098	3.0
293.11685	10.7
303.10114	9.5
304.10901	7.3
305.08084	5.9
305.11658	31.6
306.08972	2.4
307.13284	2.6
320.09570	5.9
321.11230	51.8
335.12805	16.1
336.13556	59.0
337.10712	2.9
339.16519	1.6
340.12921	1.8
367.15384	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03439	6.5
57.07071	1.1
61.02920	8.2
69.03430	18.4
70.06593	1.7
71.04996	1.5
73.02911	5.7
73.26246	1.2
81.03419	7.6
85.02907	100.0
85.06529	6.9
87.04456	1.8
91.03967	9.9
93.60082	1.3
96.14471	1.3
97.02901	23.2
99.04454	16.5
100.04798	2.1
103.07568	3.4
109.02210	1.3
109.02885	8.4
115.03883	1.3
127.03910	35.0
145.04953	38.7
163.06007	21.7
163.37996	1.4
166.08615	10.3
167.08981	8.9
181.12109	1.4
192.81624	1.3
195.28983	1.3
217.10648	1.7
229.10413	1.8
239.70195	1.4
247.11630	1.5
285.90646	1.5
296.05627	2.5
297.29294	1.7
427.11880	11.1
427.17590	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.9
61.02934	9.4
67.05505	1.3
69.03430	13.1
71.04987	1.2
73.02924	4.3
77.17834	0.9
78.71870	0.9
81.03431	6.6
85.02908	100.0
85.06532	5.4
87.04463	1.9
91.03970	8.9
97.02905	22.6
99.04463	12.7
103.03957	1.2
103.07566	5.0
106.39204	1.1
109.02886	10.4
116.09441	0.9
121.06570	1.1
127.03915	28.3
145.04964	38.0
163.06021	18.8
164.07007	1.2
166.08708	1.5
216.15051	0.9
217.10684	1.0
314.09897	1.4
325.11377	1.4
394.55249	1.0
427.12338	6.7
427.17523	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13962	0.6
53.03952	3.1
57.03438	1.3
61.02931	1.7
61.93961	0.6
65.13087	0.6
67.05519	0.9
69.03442	5.3
69.65242	0.6
71.04985	3.2
72.29459	0.7
73.02914	3.0
75.04478	1.4
78.68084	0.7
81.03419	9.0
83.05001	0.9
85.02907	12.7
85.06564	1.5
85.28067	0.6
87.04477	0.9
91.03949	2.9
95.04949	0.8
97.02901	5.7
99.04460	100.0
105.59128	0.8
109.02864	2.8
113.05997	7.7
117.05490	12.6
127.03926	5.0
128.05974	0.6
128.76503	0.7
131.07050	12.4
145.04950	3.4
149.08101	7.1
163.06032	3.5
167.09143	11.8
177.07701	1.0
214.71660	0.7
243.08626	1.2
246.97984	0.9
261.09708	6.5
427.11462	1.1
427.17746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
59.05006	2.0
59.13956	1.7
61.02933	25.3
62.03148	1.4
69.03436	14.4
70.06592	7.5
71.05006	2.8
73.02917	12.0
81.03436	8.7
84.08138	8.1
85.02905	100.0
85.06537	9.2
85.69141	1.5
87.04457	2.7
91.03941	35.2
97.02895	24.1
99.04454	36.0
103.07585	6.3
109.02888	7.5
111.54255	1.6
117.05492	2.0
119.37994	1.6
127.03905	35.6
130.08598	3.1
131.07071	2.9
145.04930	36.3
163.06007	29.7
217.10675	3.7
229.10695	3.8
247.11731	2.9
261.09781	2.0
265.12534	2.2
359.87283	1.8
427.12042	2.7
427.17261	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77317	0.7
63.98047	0.8
67.50182	0.8
70.06591	1.3
72.08134	1.9
73.89824	0.9
85.02900	1.1
86.06068	2.0
91.05485	1.9
92.03165	0.8
97.02879	0.8
99.04414	1.0
105.60110	0.8
106.47833	0.9
110.79281	0.8
112.53433	0.9
113.96080	0.8
120.08092	10.4
121.07732	0.8
122.06067	1.1
140.07118	1.1
150.09117	1.1
154.22783	0.9
171.08047	1.7
177.05528	1.1
196.09712	1.3
198.09119	8.7
203.07233	0.9
214.60953	1.1
222.01430	0.9
228.10248	1.3
244.09656	1.0
246.11113	1.2
264.12317	1.9
265.15506	1.1
288.10809	1.6
296.05670	1.5
297.16049	1.2
308.09229	1.3
318.76376	0.9
325.11801	100.0
340.14175	17.0
343.16470	11.5
353.11206	3.9
358.77023	1.0
384.95050	1.0
391.18689	8.7
397.13968	44.7
409.19736	3.8
412.16287	46.7
427.09906	4.4
427.18683	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98528	0.8
53.00600	1.0
58.06595	2.7
69.03416	4.1
69.07088	1.5
70.06561	0.9
72.08157	18.5
81.03429	1.2
81.05574	1.1
84.08160	1.5
85.02898	8.8
86.06074	12.4
91.05478	4.9
94.06593	2.5
95.04931	1.9
96.04487	5.0
97.02885	2.1
97.10166	1.2
99.04472	2.6
103.05447	1.3
105.58507	1.1
110.06055	2.3
111.04459	1.7
112.03963	4.3
112.07618	1.4
114.09140	2.0
116.07077	1.2
116.65881	1.0
117.05463	2.6
120.08105	31.5
122.06047	11.7
123.00765	1.5
123.08020	2.1
126.05514	1.4
127.03929	2.2
130.06543	1.6
132.08125	2.5
137.67554	1.0
138.05533	1.8
140.07088	14.7
144.08136	1.7
147.04396	2.7
148.05130	1.3
150.07751	100.0
150.09129	39.5
154.08594	4.4
162.09119	2.3
164.06989	1.2
164.10704	1.1
166.08633	2.7
171.08037	9.1
180.10190	6.5
182.04445	1.3
182.11755	2.3
196.09724	5.5
198.09148	18.4
198.11255	6.6
202.08614	2.1
210.09290	1.2
216.12277	17.2
228.10193	4.5
230.11749	1.9
234.15303	1.3
244.09769	8.5
244.11823	1.9
246.11278	5.3
264.12253	9.5
265.15497	8.3
275.13889	1.4
288.10773	22.8
295.11487	21.5
297.16058	7.7
343.16501	47.7
373.17529	7.5
391.18652	39.4
409.20120	14.4
427.16187	5.0
427.20660	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48301	0.4
53.52573	0.4
75.43870	0.4
78.95603	0.5
83.75387	0.4
96.58666	0.5
97.87730	0.5
98.13569	0.4
102.48397	0.4
107.26109	0.5
110.07092	0.5
111.44734	0.4
115.05418	0.7
117.06981	3.0
137.05969	2.2
145.06483	10.0
151.07523	0.6
163.07538	30.8
180.10191	100.0
194.08131	0.4
205.16472	0.5
318.15088	0.5
427.17068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98528	0.8
53.00600	1.0
58.06595	2.7
69.03416	4.1
69.07088	1.5
70.06561	0.9
72.08157	18.5
81.03429	1.2
81.05574	1.1
84.08160	1.5
85.02898	8.8
86.06074	12.4
91.05478	4.9
94.06593	2.5
95.04931	1.9
96.04487	5.0
97.02885	2.1
97.10166	1.2
99.04472	2.6
103.05447	1.3
105.58507	1.1
110.06055	2.3
111.04459	1.7
112.03963	4.3
112.07618	1.4
114.09140	2.0
116.07077	1.2
116.65881	1.0
117.05463	2.6
120.08105	31.5
122.06047	11.7
123.00765	1.5
123.08020	2.1
126.05514	1.4
127.03929	2.2
130.06543	1.6
132.08125	2.5
137.67554	1.0
138.05533	1.8
140.07088	14.7
144.08136	1.7
147.04396	2.7
148.05130	1.3
150.07751	100.0
150.09129	39.5
154.08594	4.4
162.09119	2.3
164.06989	1.2
164.10704	1.1
166.08633	2.7
171.08037	9.1
180.10190	6.5
182.04445	1.3
182.11755	2.3
196.09724	5.5
198.09148	18.4
198.11255	6.6
202.08614	2.1
210.09290	1.2
216.12277	17.2
228.10193	4.5
230.11749	1.9
234.15303	1.3
244.09769	8.5
244.11823	1.9
246.11278	5.3
264.12253	9.5
265.15497	8.3
275.13889	1.4
288.10773	22.8
295.11487	21.5
297.16058	7.7
343.16501	47.7
373.17529	7.5
391.18652	39.4
409.20120	14.4
427.16187	5.0
427.20660	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63898	0.3
53.23316	0.3
57.44125	0.3
72.08160	4.2
81.03381	0.6
82.20602	0.4
84.91277	0.3
85.02879	0.4
91.05482	0.5
99.04469	0.9
99.46193	0.4
108.49581	0.3
117.03351	1.6
120.08067	0.7
121.06485	0.4
121.13699	0.3
126.05424	0.5
127.03944	0.5
140.07022	0.5
145.02843	20.0
147.04422	3.5
150.09151	5.4
164.07010	0.7
167.11769	4.3
177.05463	100.0
180.10164	2.4
193.09705	0.6
197.12915	0.7
198.11240	0.8
200.99120	0.4
208.74031	0.4
242.08105	1.9
246.11253	0.8
248.12909	3.1
255.25710	0.4
265.15347	1.2
288.10800	0.8
343.16504	15.2
357.83609	0.4
373.17554	2.5
391.18695	3.5
399.77078	0.4
409.20447	5.9
427.11969	0.9
427.20886	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09434	1.2
57.07069	2.3
57.60187	1.3
66.83807	1.4
67.05505	2.6
69.07056	8.9
80.28620	1.5
81.07040	9.5
83.08606	2.4
89.61157	1.5
91.05420	1.4
93.07048	2.9
95.08569	6.5
97.02875	2.2
97.10154	2.7
105.07040	2.2
107.08582	3.7
109.10139	8.5
119.08549	2.2
121.10117	1.8
123.11669	2.0
135.11681	3.4
159.11769	1.8
167.10411	10.3
173.09573	2.4
175.07520	1.8
175.14857	1.7
175.55508	1.9
179.10568	3.0
187.60626	1.7
189.01549	7.1
191.10629	1.9
232.52527	1.6
246.15929	1.9
259.54819	1.7
303.15814	3.2
315.12042	2.8
330.12180	1.9
338.13153	1.7
427.24313	100.0
427.29276	14.5
427.35284	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94564	0.5
70.86837	0.5
87.66117	0.5
91.12836	0.6
105.07078	0.7
148.05215	1.4
151.26602	0.7
158.16792	0.7
165.09138	5.3
166.06213	2.3
177.24783	0.7
181.08595	14.8
190.06271	4.1
191.07040	0.8
199.07539	5.8
205.08646	7.9
275.10388	0.7
276.61896	0.7
289.08536	1.2
290.09515	0.8
304.10995	0.9
305.08347	1.0
305.11713	4.6
307.12665	0.7
318.07928	0.6
320.09216	1.0
321.11270	8.0
335.12808	2.5
336.13425	7.5
367.15201	7.4
405.31415	0.7
427.14606	3.1
427.26672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2842
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
55.05510	21.7
56.39917	4.6
57.07077	7.8
61.36049	5.0
67.05508	25.2
69.07070	100.0
71.08588	5.3
75.05836	5.9
79.93539	6.9
81.07061	37.3
83.08622	24.0
83.74928	5.7
92.21654	5.3
93.07030	7.4
95.08071	5.4
95.08611	38.3
97.10156	7.5
107.08598	10.1
109.10162	42.3
121.10118	7.7
123.11698	10.7
135.11687	6.0
147.04364	8.1
149.05952	9.3
161.06062	9.7
168.59743	5.6
173.06094	5.7
175.03894	24.7
175.07509	27.2
177.05457	12.3
187.07506	6.6
189.05533	9.6
189.09090	8.0
191.07027	11.6
201.05478	10.2
203.07063	49.5
215.07001	29.3
217.08633	11.2
229.08565	23.5
231.10216	14.0
243.10197	7.2
258.98029	6.4
285.14792	13.1
341.21121	13.0
393.33887	7.0
421.29498	6.2
427.28290	7.0
427.36377	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.284
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
52.39581	1.3
52.94256	1.1
53.00332	1.1
55.01861	1.1
55.05506	2.8
57.03446	1.3
57.07076	2.7
66.61543	1.1
67.05506	5.6
69.07077	23.0
69.37608	1.0
79.05492	6.5
81.07061	100.0
83.08642	1.5
91.05481	2.0
93.07020	12.1
94.68717	1.3
95.04961	6.2
95.08608	30.2
97.02894	2.0
105.07038	2.9
107.08575	8.2
109.06520	1.8
109.10149	6.0
109.95816	1.3
117.89529	1.5
119.08613	1.7
121.06469	1.6
121.10160	2.7
123.11640	1.9
130.07870	1.3
131.08559	2.2
135.11664	5.6
137.13264	5.1
145.10112	8.5
147.08041	2.8
147.11678	1.8
149.05988	2.4
149.09586	1.9
163.11148	5.5
164.07007	1.6
169.10117	1.4
171.08104	2.2
173.09549	4.4
175.07542	5.2
189.09088	12.4
191.10674	34.2
196.36328	1.4
205.08694	1.4
205.65096	1.3
213.12872	1.5
217.08630	3.2
227.14285	1.5
231.13748	10.8
235.09651	45.4
245.15436	2.5
250.82761	1.4
273.14853	2.5
291.15860	36.9
371.22284	2.5
427.28271	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46289	1.4
55.01873	1.8
55.05515	6.7
56.61746	1.3
57.03448	2.0
57.07079	2.7
67.05503	10.9
69.03437	2.8
69.07066	20.7
71.04985	2.0
71.08633	21.5
79.05493	2.7
81.07060	25.9
83.08615	9.7
86.47520	1.5
91.05485	7.1
93.07049	12.5
95.04980	1.6
95.08597	15.2
97.06534	7.3
97.10190	1.8
99.08115	13.8
105.07024	13.0
107.08617	14.2
109.06525	17.1
109.10150	8.1
111.08064	3.7
119.08563	15.4
121.01276	1.7
121.06482	10.3
121.10123	10.0
133.10098	14.6
135.08063	7.3
135.11725	6.8
139.11179	2.9
145.10115	8.8
147.11716	8.9
149.09505	1.9
149.13289	5.4
157.10254	1.7
159.11655	3.0
161.13254	9.1
163.11160	9.1
163.14929	1.9
165.12750	59.3
173.13187	1.6
175.14856	6.8
175.65697	1.6
177.12761	13.7
187.14836	2.0
189.16492	2.0
191.14290	6.4
201.16315	2.4
209.18993	9.7
215.18001	1.9
219.17340	2.4
289.25244	21.8
317.24747	78.6
323.90414	1.6
335.25824	20.2
391.28412	27.2
409.29498	100.0
409.37317	11.2
427.10651	2.5
427.31625	3.3
427.39120	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66850	3.5
54.95610	3.9
55.05519	46.6
57.03423	3.4
57.07080	29.1
63.48987	4.2
63.83361	4.0
67.05499	53.0
69.03427	23.2
69.07075	72.8
71.04988	8.5
71.08640	7.4
76.99592	4.3
79.05493	29.1
81.03431	55.5
81.07064	100.0
83.04990	18.5
83.08627	58.3
85.02911	19.0
85.06549	6.3
86.96364	4.9
89.71861	4.2
91.05492	20.9
93.07036	50.7
95.04970	9.4
95.08607	86.8
97.02894	20.0
97.06518	11.0
97.10177	32.9
99.04477	6.6
104.95775	5.0
105.07030	23.9
107.08619	47.1
109.02844	6.1
109.10162	54.1
111.04431	5.1
111.08076	9.5
111.11755	8.7
119.08566	39.3
121.06532	8.0
121.10137	38.8
123.11716	23.1
125.09618	4.9
127.03944	7.3
131.08543	10.8
133.10138	19.0
135.11684	44.0
137.09651	6.8
138.04102	4.7
139.62669	4.9
140.32071	4.1
145.10133	19.9
147.07996	5.7
147.11699	24.2
149.13277	27.5
151.41835	4.6
157.10217	5.2
159.11670	18.2
161.13211	6.7
163.14864	7.2
171.11591	8.5
175.11118	6.3
175.14708	5.1
185.13197	5.5
189.16405	6.6
211.14780	5.5
233.18924	4.6
265.25293	35.6
371.08423	5.0
373.27448	38.8
391.28409	32.7
409.29568	43.8
409.34625	62.0
427.30994	28.6
427.36472	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93444	0.7
53.03933	0.6
55.05513	5.0
56.74846	0.6
57.03436	0.7
57.07077	9.5
58.06606	2.6
62.06088	2.9
67.05518	6.4
69.03432	1.3
69.07066	11.0
71.04999	0.7
71.08639	5.7
72.04520	13.3
72.88995	0.7
79.05510	2.9
81.03432	2.5
81.07063	12.0
83.08635	7.4
85.02895	1.0
85.10179	2.8
86.06056	0.7
93.07046	4.1
95.08601	9.9
97.02887	5.8
97.06528	1.6
97.10161	6.4
99.04443	3.7
107.08593	7.5
109.02856	2.5
109.10169	5.9
111.08038	0.7
111.11729	3.0
121.10141	5.5
123.11703	1.0
124.11274	0.8
125.09603	2.7
125.13245	0.7
127.03893	4.2
135.11696	10.1
148.06459	0.6
149.13243	1.4
152.14304	6.4
153.12721	4.1
170.11774	4.3
170.15434	0.7
179.93932	0.6
186.22185	0.8
198.14873	6.1
212.23723	49.3
224.16447	8.5
225.14845	2.8
226.71558	0.6
230.24760	69.2
240.23203	100.0
241.19072	2.5
242.17543	5.0
242.19991	0.6
258.24243	6.6
265.25269	9.3
277.04413	0.7
361.27411	4.9
409.37860	78.9
410.32330	3.1
410.36697	16.5
427.39297	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41581	1.6
55.05518	9.7
55.97339	1.6
57.07077	8.0
63.10650	1.6
63.31610	1.7
67.05503	11.6
68.92914	1.9
69.03431	1.6
69.07073	24.8
71.08637	20.4
78.84864	1.6
79.05495	3.9
81.07063	32.5
83.08622	9.1
91.05496	4.0
92.73264	1.7
93.07029	15.8
95.04959	2.6
95.08620	25.2
96.82056	1.9
97.06546	7.2
97.10170	2.5
99.08094	14.7
105.07009	16.5
107.08603	17.8
109.06524	21.9
109.10162	11.4
119.08585	17.7
121.06503	9.6
121.10152	10.6
123.11691	6.7
123.24637	1.7
127.15681	2.4
131.08583	7.4
133.10127	12.3
135.08067	9.2
135.11729	9.4
137.09602	2.2
139.04517	1.8
139.11194	7.6
145.10123	10.9
147.11694	2.8
149.09610	3.9
151.11156	2.4
153.12721	2.5
159.11644	2.6
161.09564	2.7
161.13229	10.2
163.11174	14.1
165.09088	7.0
165.12758	62.5
175.14824	4.1
177.12724	14.6
191.14345	8.1
205.15916	3.1
209.19037	10.1
289.25220	22.3
317.24765	84.8
335.25723	26.6
391.28348	27.8
408.62552	2.0
409.29474	100.0
427.30249	3.5
427.35440	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	33.0
57.07086	35.4
66.37234	3.9
67.05521	58.8
69.03438	30.6
69.07069	64.2
69.76828	4.2
71.05022	5.0
71.08628	17.9
79.05498	26.0
81.03425	68.0
81.07062	72.0
83.04983	5.8
83.08611	43.7
85.02889	10.2
85.10152	5.3
91.05480	9.3
93.07053	39.2
95.05001	4.4
95.08614	87.0
97.02882	18.0
97.06528	6.5
97.10188	37.0
99.04460	19.0
105.07041	21.5
107.04990	4.4
107.08600	38.8
107.10623	4.9
109.02908	6.2
109.06506	7.4
109.10145	30.4
111.04417	6.2
111.08072	8.2
111.11721	6.1
117.06947	4.5
119.08582	23.0
120.08104	39.5
121.06526	5.9
121.08437	7.0
121.10144	31.9
121.64063	4.3
123.08038	4.6
123.11723	8.4
127.03904	7.5
131.08540	8.3
133.10139	27.3
133.59018	4.5
134.07803	4.2
135.11641	31.9
145.10115	9.3
149.13263	9.0
151.07573	7.0
159.11671	5.7
165.16415	5.0
166.08600	18.6
174.76012	5.3
212.23730	100.0
217.04816	4.4
230.24829	17.1
248.69884	4.9
265.25327	11.0
307.26041	4.9
313.01892	4.3
320.09183	19.6
337.55148	4.4
349.27429	6.8
373.27509	35.6
391.28403	42.5
409.29532	63.7
427.30515	31.1
427.38992	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	3.0
64.84336	0.6
65.99636	0.6
67.05487	0.8
69.07077	0.9
69.37723	0.7
71.08626	1.5
72.04518	11.5
79.05458	0.9
81.07079	0.6
83.08624	1.2
83.39736	0.6
87.25362	0.9
95.08595	1.0
97.10181	1.3
100.27019	0.6
104.07088	1.2
107.08600	3.1
108.04465	1.4
109.10147	1.0
124.11188	1.1
125.09629	3.4
126.05508	1.8
135.08031	1.1
151.07645	1.2
166.75626	0.8
170.11734	5.5
199.98438	0.7
212.23625	0.8
230.24820	13.4
240.23216	100.0
258.24316	5.9
333.06924	0.7
387.26935	0.8
410.32617	4.9
427.31183	0.8
427.36142	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25512	1.3
52.71796	1.3
53.60273	1.4
55.05518	11.2
56.41694	1.4
57.07077	8.4
60.25036	1.1
64.11695	1.4
67.05506	10.4
69.03422	1.7
69.07075	41.4
71.08641	6.5
76.31178	1.3
76.71631	1.5
79.05497	3.0
81.03423	7.9
81.07056	17.5
83.08202	1.9
83.08623	17.9
85.02896	3.0
85.10147	2.1
91.05496	1.7
93.07063	9.2
95.08610	16.2
97.10166	8.4
105.07014	3.5
107.08585	8.6
109.10149	10.6
111.04460	1.9
111.11703	2.3
114.60695	1.4
119.08582	3.5
121.04870	1.6
121.10133	12.4
122.27929	1.5
123.11697	3.0
125.09520	1.5
125.13255	1.5
127.03937	1.7
129.03444	1.8
131.08566	3.4
133.39079	1.5
135.08049	1.8
135.11691	3.8
137.09615	5.9
138.17805	1.2
139.07588	1.7
145.10135	3.5
149.09631	11.2
149.13281	2.8
151.07497	2.0
159.11688	2.3
161.09689	1.6
163.11188	6.7
165.09099	100.0
173.13208	2.4
175.11121	3.3
177.09113	8.1
189.09085	2.5
191.10640	8.3
203.10594	3.6
205.12270	9.6
289.21426	2.7
345.27765	3.8
373.27127	2.7
389.24640	1.8
391.28262	10.0
404.41461	2.0
407.88831	1.5
409.29358	9.5
427.30698	2.6
427.35760	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05517	13.7
57.07068	10.7
63.65277	2.2
67.05516	11.3
68.42503	2.6
69.07072	39.5
70.56790	2.7
71.08617	4.5
79.05498	6.0
81.03381	2.9
81.07056	24.8
83.08620	19.5
84.75497	2.3
91.05479	11.0
93.07065	13.8
95.08612	47.0
97.06519	16.5
97.10161	17.9
100.70679	2.4
105.07027	15.7
107.08582	16.1
109.10169	40.6
111.08073	29.9
111.11732	3.5
117.07000	3.4
119.08584	26.9
121.06588	2.8
121.10144	22.6
123.08028	2.6
123.11686	15.3
125.09620	3.1
125.13288	4.4
131.08546	5.1
133.10150	20.5
133.14468	2.7
135.08049	3.9
135.11690	13.5
137.09613	10.8
138.85417	2.8
139.04271	3.5
143.08545	5.3
145.10135	12.3
147.11656	25.0
149.09607	3.8
157.10141	6.1
159.11681	12.4
161.09625	5.8
161.13307	3.6
163.11159	4.9
169.10143	4.0
171.11694	14.4
173.13287	11.7
175.11240	4.6
175.14861	6.3
177.12700	4.7
177.16385	2.7
181.08620	4.5
183.11603	4.2
185.13219	10.0
187.14790	4.2
191.14206	6.1
197.13182	5.2
199.14891	4.0
211.14845	9.9
223.14981	3.4
225.16345	2.7
256.26440	3.5
301.25165	5.2
307.24142	3.0
321.11313	2.7
331.96738	2.6
391.33765	5.5
409.34760	100.0
410.32144	3.7
427.36142	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05522	16.6
56.27838	1.6
57.07074	4.4
67.05521	15.6
67.31592	1.8
68.33721	1.8
69.07063	35.6
71.08617	3.1
76.07639	2.1
79.05508	5.1
81.07063	40.9
83.08615	17.0
85.06554	2.7
89.23859	2.5
91.05452	9.4
93.07043	18.1
93.85217	2.0
95.08610	54.7
97.06525	10.2
97.10169	10.4
99.08107	2.3
105.07050	14.7
107.08573	21.3
109.10157	44.8
111.08071	27.4
111.11720	3.4
119.08564	33.0
121.10114	18.5
123.08018	3.6
123.11736	20.5
131.08568	7.9
133.10101	18.5
135.11697	13.0
137.09613	16.3
137.13278	2.3
140.69315	2.1
143.08609	2.6
145.10123	14.8
147.11685	18.8
149.09622	3.5
149.13271	8.3
151.11134	2.3
157.10135	9.0
159.07997	2.5
159.11671	11.4
161.09595	8.1
161.13235	9.7
163.11235	4.9
163.14732	3.0
169.10095	2.4
171.11685	13.4
173.13319	3.4
175.07314	2.1
175.11140	3.7
175.14838	2.6
181.08717	3.0
185.13269	3.6
187.14801	3.5
189.12708	2.6
195.11714	2.9
197.13208	3.5
199.14827	4.6
203.14302	3.9
211.14969	4.4
213.16449	3.6
215.17998	3.3
225.16397	4.4
227.17960	4.0
231.17368	2.4
267.21033	3.5
269.13559	2.4
285.22055	2.6
301.25293	11.3
309.16617	4.2
325.25073	3.0
351.99432	2.4
391.33878	9.7
409.34708	100.0
427.27036	4.1
427.36090	52.5
452.09024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
57.07083	21.6
62.24876	9.9
64.54968	10.0
70.90794	10.6
125.39347	13.6
130.78781	12.5
325.17023	15.0
396.88098	13.6
415.33289	12.5
427.35794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.66979	4.9
55.05506	6.6
69.07059	31.0
81.07053	25.8
81.10014	6.1
83.08627	12.9
93.07021	8.1
94.55683	5.8
95.08605	35.7
97.06530	7.0
97.10166	7.6
105.07060	6.9
107.08594	9.8
109.10188	43.2
111.08089	24.6
119.08600	32.9
121.10169	14.1
123.11702	6.7
133.10170	13.1
137.09596	12.3
159.11685	6.6
171.11737	11.0
409.34732	100.0
427.35779	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.0
57.07079	6.1
58.06601	0.9
62.06108	1.0
65.11803	0.7
67.05502	3.1
69.07073	3.4
71.08207	0.8
71.08626	5.4
72.04519	11.9
81.07070	1.3
83.08633	0.7
85.10168	1.2
90.87411	0.8
93.07054	2.7
95.08604	1.4
95.61933	0.7
97.06514	1.0
97.10178	2.8
107.08597	4.5
108.77592	0.7
111.94112	0.8
124.11284	0.8
125.09632	1.8
133.10066	1.1
133.89069	0.7
135.08041	1.2
135.11714	4.5
142.12300	1.2
152.14352	6.6
152.77383	0.8
153.12677	0.8
170.11780	4.7
198.14931	3.8
201.54178	0.8
212.23737	38.7
224.16429	6.6
225.14940	1.4
230.24786	59.6
240.23209	100.0
241.18921	1.5
242.17451	3.3
258.24316	4.1
329.66144	0.8
401.77054	0.8
409.37897	66.1
410.31500	1.0
410.36771	13.3
422.45554	0.7
427.39352	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
60.37212	1.1
61.02930	1.6
69.03426	5.3
81.03447	1.5
81.72080	1.2
84.04486	2.0
85.02916	21.2
86.03237	2.7
97.02881	6.8
99.04450	5.1
99.05114	1.5
109.02931	1.5
112.98742	1.3
126.05533	2.6
127.03883	7.3
145.04964	7.7
146.05338	1.4
163.05989	1.4
224.07048	17.2
225.07811	9.6
225.72787	1.3
242.79755	1.2
248.11293	1.8
249.18114	1.4
253.09659	3.0
254.08054	12.4
257.06805	6.8
267.11142	1.5
269.09192	23.1
270.07544	10.1
281.09204	87.7
295.07687	1.4
295.10638	10.0
296.05539	80.9
296.08511	3.2
298.07159	1.6
308.09216	1.5
314.06610	1.5
321.08658	33.7
323.10248	2.2
325.08167	24.9
340.13205	9.0
367.09253	11.2
384.11884	15.7
410.16483	1.9
428.10822	100.0
428.16910	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.5
61.84492	0.4
69.84473	0.3
96.17570	0.4
99.78423	0.4
154.67848	0.4
190.06294	0.4
278.08063	0.5
279.08398	0.5
320.09225	2.4
334.10953	0.5
352.62393	0.5
364.22549	0.4
400.11783	0.8
410.09949	0.9
413.08881	0.7
428.11273	100.0
441.00397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1128
Annotation	Asp-Trp-OH
Peak:m/z	Relative Intensity
66.00293	0.3
78.30684	0.3
80.97536	0.3
92.25449	0.3
106.86781	0.3
109.92693	0.4
125.75646	0.3
136.81084	0.3
152.07915	0.3
167.35297	0.3
188.09392	0.4
242.53485	0.3
334.10559	0.6
336.55313	0.3
342.11264	1.3
348.88123	0.4
357.06299	0.5
357.10071	0.5
370.06961	0.7
370.11069	0.7
372.12375	1.4
385.09732	1.6
398.10284	0.5
400.11774	12.3
428.11298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1127
Annotation	Asp-Trp-OH
Peak:m/z	Relative Intensity
58.06596	2.5
61.84492	0.4
69.84473	0.3
96.17570	0.4
99.78423	0.4
154.67848	0.4
190.06294	0.4
278.08063	0.5
279.08398	0.5
320.09225	2.4
334.10953	0.5
352.62393	0.5
364.22549	0.4
400.11783	0.8
410.09949	0.9
413.08881	0.7
428.11273	100.0
441.00397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45008	0.6
58.06604	0.5
58.63716	0.5
59.67602	0.5
65.27946	0.6
66.85333	0.5
69.03413	0.9
69.05483	0.5
71.58070	0.5
72.08135	0.8
77.28357	0.6
79.81174	0.6
85.02903	6.7
86.03260	0.7
91.14437	0.5
97.02885	1.3
99.04483	0.7
105.07236	0.6
113.02368	6.7
114.02662	1.0
127.03911	2.5
128.04285	0.6
130.04947	0.7
131.03346	0.7
136.07585	4.3
137.06003	8.7
144.99516	0.7
145.04890	0.8
151.07506	2.5
161.06056	0.9
164.07008	1.0
166.05305	2.5
166.08617	3.2
178.08598	2.5
179.06999	2.7
187.18578	0.7
192.10162	0.8
248.95119	0.7
255.08911	1.1
266.10065	1.1
268.09735	0.8
283.07169	1.2
295.09528	2.8
295.13150	0.9
298.09479	42.2
310.09402	2.6
324.11093	4.6
325.11887	4.9
334.09451	1.1
337.08057	1.0
351.12537	5.4
352.10507	7.6
367.11777	0.9
369.13229	19.8
378.07983	0.8
395.11008	2.6
396.09503	15.1
411.11761	5.6
413.12164	15.8
428.14615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51934	0.3
61.85661	0.2
66.23897	0.3
67.05479	0.4
94.06584	2.1
101.55746	0.3
136.06166	0.3
144.04451	4.4
152.70232	0.3
185.07150	1.6
194.09651	3.1
255.11346	0.5
283.10806	2.5
308.09146	0.6
309.10092	2.2
336.12601	0.4
362.07538	0.4
367.11987	0.6
383.11423	3.1
384.12283	7.1
398.10193	1.3
412.11792	44.8
413.12595	6.4
428.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43414	0.5
54.86386	0.5
55.09783	0.6
79.34669	0.6
79.84981	0.6
81.46484	0.6
96.35529	0.7
98.59537	0.7
121.02885	3.6
192.06673	3.5
226.14606	0.9
243.17038	2.7
307.08713	1.0
308.09174	19.9
308.12424	1.2
320.09381	1.0
334.10910	1.5
336.12418	1.2
337.12643	1.1
354.11185	5.4
356.12939	3.5
367.12259	3.9
370.10730	18.8
379.23093	1.0
384.12280	20.1
384.16815	0.8
385.13333	4.3
398.10199	11.9
400.15704	4.6
412.11737	11.3
413.12869	3.3
428.15143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87513	0.7
76.39666	0.6
86.47694	0.7
92.21455	0.9
107.20158	0.8
116.98481	0.9
131.00040	1.3
136.06207	1.2
145.01619	0.7
155.00070	1.3
158.99553	2.8
173.01164	1.4
174.99046	3.5
185.01102	3.6
189.00571	6.3
191.07054	0.8
192.06476	1.2
199.02612	1.7
203.02222	3.0
219.06694	0.7
247.04968	1.0
249.82002	0.8
269.07071	1.3
287.08273	1.1
320.09311	1.1
334.10526	0.8
369.15808	1.6
383.11243	1.0
384.12338	7.4
387.16760	13.6
387.21219	0.9
398.10187	1.4
412.11768	46.3
413.12784	8.1
428.15036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51934	0.3
61.85661	0.2
66.23897	0.3
67.05479	0.4
94.06584	2.1
101.55746	0.3
136.06166	0.3
144.04451	4.4
152.70232	0.3
185.07150	1.6
194.09651	3.1
255.11346	0.5
283.10806	2.5
308.09146	0.6
309.10092	2.2
336.12601	0.4
362.07538	0.4
367.11987	0.6
383.11423	3.1
384.12283	7.1
398.10193	1.3
412.11792	44.8
413.12595	6.4
428.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76867	1.3
58.06599	8.1
59.39420	1.3
65.53252	1.5
69.03423	3.3
70.06586	6.2
73.13010	1.4
78.45734	1.4
80.85834	1.7
81.03434	3.6
85.02921	11.7
86.06059	13.4
87.04459	11.0
92.20944	1.7
94.06538	1.7
97.02928	4.8
98.06048	9.2
99.04443	9.6
107.04974	1.9
110.06052	2.9
113.21912	1.4
116.07095	2.8
117.05444	5.9
120.08086	3.6
122.06027	3.7
123.06342	2.2
125.04728	3.4
127.03922	2.5
130.06473	1.8
132.04445	2.7
132.08148	1.8
134.06030	3.1
135.04407	2.5
138.09146	1.9
140.07083	6.9
141.07364	2.5
145.02823	8.9
147.04413	7.1
150.05496	22.8
152.07031	2.0
153.75978	1.6
163.03894	100.0
164.07007	3.0
166.08595	2.9
168.06516	15.4
168.10147	1.9
176.07069	12.8
177.05446	7.1
178.05757	3.1
182.08127	3.3
192.06760	1.9
194.08136	14.0
212.09204	7.8
230.10172	8.3
248.11363	10.6
254.71996	1.8
261.48950	1.6
288.10883	5.0
289.11066	15.9
326.69498	1.8
330.13358	6.4
352.11697	3.2
365.26929	1.8
382.13007	2.1
392.13394	17.4
410.14282	29.4
428.16025	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01854	1.0
57.03433	1.1
58.06594	1.2
59.45116	0.6
64.02518	0.7
69.03438	1.7
69.68409	0.7
70.06595	4.1
70.22889	0.7
71.04990	4.3
72.04514	1.0
73.02985	0.7
78.64886	0.7
79.70067	0.7
80.05040	0.8
81.03426	4.3
83.05006	0.9
84.04489	1.1
85.02912	15.3
86.06065	6.5
87.04476	9.7
88.55543	0.8
89.03935	0.9
91.05461	1.1
96.04509	2.0
97.02884	6.1
98.06055	9.2
99.04461	1.7
104.07120	1.2
106.06535	1.3
106.40335	0.8
108.04407	0.8
109.02879	4.1
110.06062	1.1
111.04414	1.1
114.05561	0.9
116.07101	3.4
117.03373	0.8
120.08099	1.0
121.06500	3.9
124.07602	1.7
125.04746	3.8
126.05505	3.7
127.03900	5.1
128.07033	1.4
129.05472	1.3
132.08026	0.9
134.06003	5.0
135.04422	6.0
137.05945	1.0
140.07007	1.3
145.02849	7.3
145.04907	1.9
147.04492	0.9
148.07571	3.7
150.05511	12.8
163.03889	100.0
164.07072	6.8
165.46587	0.9
166.08647	5.4
168.06546	3.9
176.07054	15.6
182.08112	4.6
194.08134	17.8
212.09166	10.6
213.95050	1.0
230.10211	12.4
248.11298	15.3
273.98291	0.8
382.17340	0.9
383.11746	0.9
392.13348	29.0
410.14444	23.3
428.15265	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76867	1.3
58.06599	8.1
59.39420	1.3
65.53252	1.5
69.03423	3.3
70.06586	6.2
73.13010	1.4
78.45734	1.4
80.85834	1.7
81.03434	3.6
85.02921	11.7
86.06059	13.4
87.04459	11.0
92.20944	1.7
94.06538	1.7
97.02928	4.8
98.06048	9.2
99.04443	9.6
107.04974	1.9
110.06052	2.9
113.21912	1.4
116.07095	2.8
117.05444	5.9
120.08086	3.6
122.06027	3.7
123.06342	2.2
125.04728	3.4
127.03922	2.5
130.06473	1.8
132.04445	2.7
132.08148	1.8
134.06030	3.1
135.04407	2.5
138.09146	1.9
140.07083	6.9
141.07364	2.5
145.02823	8.9
147.04413	7.1
150.05496	22.8
152.07031	2.0
153.75978	1.6
163.03894	100.0
164.07007	3.0
166.08595	2.9
168.06516	15.4
168.10147	1.9
176.07069	12.8
177.05446	7.1
178.05757	3.1
182.08127	3.3
192.06760	1.9
194.08136	14.0
212.09204	7.8
230.10172	8.3
248.11363	10.6
254.71996	1.8
261.48950	1.6
288.10883	5.0
289.11066	15.9
326.69498	1.8
330.13358	6.4
352.11697	3.2
365.26929	1.8
382.13007	2.1
392.13394	17.4
410.14282	29.4
428.16025	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01855	1.4
57.03448	2.5
61.02925	2.4
61.07478	0.9
63.97703	0.9
69.03429	15.1
70.06599	1.4
73.02882	2.9
81.03414	5.9
85.02908	32.1
86.06079	19.4
87.04464	14.9
91.03947	2.5
97.02898	21.5
98.06062	32.8
99.04454	4.3
104.07126	9.0
104.10736	1.5
106.33073	1.0
109.02861	7.1
114.63843	1.0
115.03912	1.1
116.07090	29.3
126.05505	1.7
127.03930	14.8
128.07059	6.7
144.06555	2.6
144.43073	1.1
145.04961	4.1
158.08112	1.2
164.07037	5.4
170.08115	1.3
177.55339	1.1
182.08151	22.1
193.19188	1.1
194.08119	9.6
212.09152	10.1
230.10236	39.3
230.12552	1.4
248.11279	100.0
266.12338	6.7
331.34689	1.3
356.27487	1.2
392.15472	4.7
410.16574	74.8
428.12720	2.2
428.17502	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.6
60.58963	1.9
61.02916	3.7
66.63046	2.1
69.03418	15.2
69.47478	2.0
70.06592	5.5
81.03398	4.8
85.02895	31.8
86.06063	24.2
87.04469	21.0
97.02892	21.7
98.06050	41.0
99.04433	2.9
100.31757	2.2
104.07101	5.6
108.31768	2.3
109.02863	5.8
113.62698	2.3
116.07058	24.1
124.25893	2.2
127.03918	11.5
128.07076	5.8
144.06567	2.6
158.08214	2.5
164.07047	10.8
182.08124	25.1
194.08116	11.5
212.09178	9.9
224.24298	2.3
230.10236	51.0
248.11270	100.0
253.60771	2.3
266.12390	3.8
392.15515	8.7
410.16510	75.9
428.11472	3.3
428.17288	63.5
438.00479	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03496	3.0
73.51259	2.8
75.11653	3.1
108.11066	3.5
113.48081	3.6
133.06456	3.3
148.05199	4.7
161.05881	7.5
166.06230	26.0
167.06635	17.5
175.07597	4.5
176.07849	4.6
181.08582	95.4
182.08931	65.9
185.93102	3.5
190.06267	19.2
191.06694	18.2
198.14940	5.5
199.07539	34.9
200.07843	35.3
205.08633	38.2
206.08920	44.5
229.44888	3.4
232.08568	4.5
257.18649	21.6
261.08969	3.6
262.09528	15.5
277.11829	5.3
278.09039	5.6
289.08563	7.9
290.08920	29.8
291.09888	5.4
294.11945	13.9
304.10602	13.6
305.11441	24.1
306.08664	6.9
306.11914	50.8
321.11145	18.2
322.11584	63.5
327.48718	3.7
336.09509	5.2
336.13232	39.3
337.13879	80.4
338.10922	3.6
367.10648	4.8
367.15530	12.0
368.11389	4.0
368.15781	100.0
382.12479	23.3
414.11777	15.4
428.13223	30.3
428.26804	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76002	3.2
76.25312	3.5
87.52408	3.2
92.21539	4.7
93.07060	4.6
105.07020	5.7
136.06291	3.3
136.12032	3.3
148.05161	4.7
150.03673	3.6
150.11719	3.8
150.45425	3.5
159.34271	4.0
161.05872	5.2
166.06207	28.3
167.06564	17.7
172.08379	4.4
175.07617	5.4
181.08591	100.0
182.08948	75.0
190.06218	18.4
191.06758	7.6
199.07555	37.1
200.07881	36.2
205.08662	41.0
206.08916	39.8
209.60408	4.1
262.09457	8.0
277.11893	4.8
290.08994	21.5
291.09714	6.0
292.10471	5.0
293.11557	8.3
294.12122	15.8
304.10565	16.4
305.11362	18.6
306.08759	7.0
306.11990	42.0
307.15884	4.2
308.13629	5.4
320.09262	8.7
321.11081	7.8
322.11517	71.5
336.13110	20.8
337.13858	75.8
345.19376	4.6
368.15680	97.0
400.11752	19.8
428.11227	89.3
428.18466	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.3
57.07070	1.6
59.04999	2.1
61.02913	0.8
69.03423	0.9
70.06589	0.9
71.04993	81.7
73.02899	1.4
75.04470	6.8
83.04983	6.6
85.02906	100.0
85.06546	6.7
87.04475	2.0
88.42871	0.8
96.05972	0.8
97.02880	2.1
99.04482	1.4
103.07584	19.8
103.43277	0.8
105.07035	3.6
111.04447	6.1
122.09678	3.9
127.03934	3.8
129.05470	41.7
137.05978	3.6
145.04968	0.9
147.06511	20.7
150.05498	4.2
160.33406	0.9
163.06017	1.2
164.09222	4.1
168.06647	1.2
213.11168	1.4
231.12273	4.8
249.13351	2.0
255.08546	2.0
265.09937	0.9
265.12759	1.4
273.09683	3.4
309.11816	4.9
419.98657	0.9
428.14108	5.0
428.20984	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.05513	1.0
57.03446	7.0
58.06600	0.6
59.04993	2.7
61.02917	0.7
69.03436	2.3
70.06584	1.1
71.01332	0.6
71.04995	79.1
72.08155	0.6
73.02904	2.3
75.04482	3.7
81.03428	0.8
83.04990	7.2
85.02908	100.0
85.06544	6.4
87.04482	2.2
87.71260	0.6
97.02905	3.3
98.40450	0.5
99.04457	2.3
103.03950	0.8
103.07575	17.7
109.02881	0.9
111.04424	6.8
111.44058	0.6
121.06534	4.0
127.03923	3.5
127.68765	0.7
129.05473	40.5
137.05927	0.7
145.04961	3.3
147.06520	21.1
150.05513	16.7
151.07535	2.4
163.03897	0.9
163.05939	0.5
164.07036	7.6
164.09195	3.6
168.06525	6.7
181.15866	0.7
197.53816	0.7
213.11198	2.9
230.05460	0.6
231.12236	4.2
236.24823	0.6
249.13284	2.5
255.08609	2.5
273.09662	3.1
285.09253	0.9
309.11786	5.1
383.16837	0.8
410.14209	1.2
428.13892	1.2
428.19788	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39888	0.9
55.05503	0.9
60.45333	1.1
61.26210	1.0
67.05525	2.1
69.07072	20.6
70.06593	99.4
75.02505	1.1
79.05491	7.1
81.07060	100.0
85.02943	1.5
93.07068	1.2
95.08606	22.3
107.04865	1.1
107.08586	2.1
109.02853	2.0
110.06005	1.3
112.07574	1.3
118.08672	1.1
121.06470	10.4
121.07260	1.2
121.91682	1.1
127.03933	5.0
128.07080	8.0
130.08643	20.1
135.11703	1.1
137.13287	8.5
137.29036	1.2
152.36572	1.2
152.80753	1.3
219.83740	1.2
249.18446	1.4
256.11588	1.3
274.12814	8.6
292.13885	56.2
308.22137	2.6
428.11142	5.1
428.26526	50.6
449.77814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39888	0.9
55.05503	0.9
60.45333	1.1
61.26210	1.0
67.05525	2.1
69.07072	20.6
70.06593	99.4
75.02505	1.1
79.05491	7.1
81.07060	100.0
85.02943	1.5
93.07068	1.2
95.08606	22.3
107.04865	1.1
107.08586	2.1
109.02853	2.0
110.06005	1.3
112.07574	1.3
118.08672	1.1
121.06470	10.4
121.07260	1.2
121.91682	1.1
127.03933	5.0
128.07080	8.0
130.08643	20.1
135.11703	1.1
137.13287	8.5
137.29036	1.2
152.36572	1.2
152.80753	1.3
219.83740	1.2
249.18446	1.4
256.11588	1.3
274.12814	8.6
292.13885	56.2
308.22137	2.6
428.11142	5.1
428.26526	50.6
449.77814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29603	1.0
51.35000	1.0
54.40118	1.0
55.05496	1.6
55.22721	1.0
69.07072	2.7
81.07063	8.5
82.22943	1.2
90.64649	1.2
91.05423	1.2
93.07039	1.4
95.08601	6.0
97.06535	1.4
99.04447	5.0
107.08601	4.9
109.06475	1.2
109.10160	2.9
111.04469	13.5
121.06464	2.0
121.10143	2.6
125.05998	5.0
133.10117	3.0
135.11702	5.2
137.05977	100.0
137.13235	3.0
147.11661	2.6
149.09604	2.6
151.07497	1.9
159.11807	1.3
161.09613	5.9
163.11226	2.0
163.14801	1.3
165.09106	2.8
166.64436	1.2
175.11122	3.0
175.14824	1.3
189.12645	1.3
203.17964	6.4
213.16370	2.3
226.61613	1.4
231.17426	12.0
249.18521	5.1
260.29111	1.3
277.17978	75.1
295.19000	25.2
393.22635	13.8
427.25531	1.5
428.32953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.07076	0.5
58.72098	0.4
63.86170	0.4
63.94932	0.5
64.86412	0.4
66.38457	0.4
67.05505	3.0
69.03420	0.4
69.07068	1.1
77.44827	0.5
79.05500	1.2
81.03403	1.9
81.07070	5.4
83.08621	0.5
86.06188	0.4
91.05499	1.5
93.07053	2.3
95.04967	0.9
95.08600	2.2
97.06535	6.5
99.04428	0.5
105.07047	2.5
107.04965	2.6
108.57733	0.4
109.06538	3.0
109.10142	1.0
111.08063	1.1
119.08572	1.0
121.06493	1.9
121.10133	0.9
121.51859	0.5
123.08107	0.5
123.11728	0.5
131.08562	0.7
133.10176	1.6
135.11652	0.9
136.06190	100.0
145.06563	0.7
145.10117	0.9
147.11674	0.9
149.09656	0.9
159.11574	0.7
169.10060	0.7
177.12727	0.6
221.08057	0.8
275.20081	2.0
293.21249	2.0
312.60654	0.6
321.09750	0.6
428.14496	0.7
428.26599	33.2
435.36609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83689	2.6
57.03440	7.2
57.06864	2.9
57.07081	49.4
64.86447	3.1
65.78003	2.9
67.05496	18.3
69.03440	2.8
69.07069	17.4
71.08630	47.6
72.99262	2.3
73.69171	2.5
75.78653	2.6
79.74422	2.7
81.07065	27.4
83.08622	18.1
85.10181	27.7
95.08624	36.7
97.10159	12.1
98.98463	41.5
109.10144	18.5
123.11726	11.4
155.01031	98.2
155.83545	3.4
239.23657	4.2
291.28458	3.3
313.27341	67.7
393.24002	100.0
410.29578	6.1
428.30313	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56706	1.6
53.03956	2.1
55.01887	2.5
55.05513	12.0
57.03434	3.8
57.07076	3.6
60.04540	7.7
67.05508	43.3
69.07067	15.0
70.12399	1.9
70.46940	2.0
71.04993	2.5
71.08627	9.3
79.05499	23.4
81.03428	20.4
81.07066	48.2
83.04981	8.9
83.08615	14.4
85.06552	3.0
91.05472	14.4
93.07047	39.5
93.07576	3.4
93.63632	2.3
95.04952	15.4
95.08633	25.4
97.06551	5.1
97.10157	9.8
99.04458	100.0
99.08084	4.0
105.07037	13.9
107.08579	18.8
109.06525	4.9
109.10176	24.1
111.08093	3.4
117.07019	5.0
119.08596	12.3
121.06509	10.3
121.10132	16.7
123.11710	4.6
125.09592	3.5
131.08598	4.3
133.10127	15.5
135.11705	14.6
136.69997	2.6
137.09619	3.2
138.09158	2.6
139.11166	14.8
143.08646	2.4
145.10135	2.7
147.11699	9.7
149.13307	24.2
151.11185	11.7
155.10728	5.3
157.10002	2.4
159.11636	9.5
161.13228	3.5
163.11232	3.9
173.11751	29.0
175.02365	2.6
177.12614	3.2
179.14317	3.4
189.11273	8.1
195.13815	42.5
213.14856	22.7
241.19641	4.1
259.20547	9.2
277.21603	44.2
295.22699	10.4
375.25009	3.0
377.90753	2.4
382.27063	2.5
393.26755	2.8
428.33481	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.7
55.07485	2.7
57.03436	5.1
57.07082	13.7
58.71598	3.8
64.86201	3.1
65.52345	2.8
67.05507	35.2
68.87087	2.7
69.07067	22.5
71.08628	5.5
72.24657	3.2
73.90569	3.1
78.62595	3.3
79.05489	18.9
81.03413	4.0
81.07067	31.9
83.04947	5.0
83.08570	9.9
84.04510	87.0
85.02856	3.5
91.05499	25.4
93.07030	31.5
95.04969	5.8
95.08587	34.5
95.39452	3.5
97.06523	3.8
98.06055	6.0
99.04459	22.1
105.07045	24.5
107.08598	19.1
109.06516	4.5
109.10143	19.2
114.05504	13.5
119.08590	24.4
121.10134	21.6
123.08046	5.8
126.05506	35.7
130.05006	66.9
133.10129	16.6
135.11717	5.8
147.11705	6.8
149.13324	3.3
156.06563	18.0
168.06572	8.1
172.06023	14.1
173.11638	6.0
191.03802	4.4
195.13914	4.6
245.22617	17.0
263.23682	26.7
277.21570	6.7
290.13864	3.3
316.77768	3.7
346.27448	4.8
374.26776	8.3
392.27838	40.6
410.29025	100.0
428.20221	27.6
428.29959	34.0
444.93936	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07097	1.6
60.04531	4.2
67.05512	1.9
69.07089	1.8
79.46411	1.3
79.82835	1.1
80.95878	1.2
81.07067	2.0
85.06557	2.9
85.50501	1.0
93.07044	2.7
94.64179	1.1
95.08601	6.3
107.08607	6.6
109.06516	1.5
111.04446	45.2
120.08107	1.5
121.06529	2.2
121.10157	2.0
123.11678	1.1
125.05983	7.4
129.61557	1.1
131.66457	1.2
135.08028	2.4
135.11697	12.8
139.07538	1.8
145.10136	7.9
146.08200	1.1
146.97153	1.3
158.08018	1.4
163.11177	13.4
181.12233	100.0
212.16463	2.1
234.74408	1.3
267.11401	1.3
406.50537	1.5
428.29141	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11473	1.3
54.45108	1.3
55.05521	2.3
59.69533	1.6
66.98945	1.6
68.40108	1.5
69.07038	2.6
71.83373	1.6
81.07047	2.0
83.04984	1.9
85.06529	2.5
87.91920	1.5
90.05716	1.8
92.36036	1.9
92.41521	1.8
93.07029	2.6
95.08594	3.3
107.08597	7.8
109.10171	2.6
111.04440	45.7
121.06524	3.7
125.05975	11.5
125.27301	1.8
135.08055	6.7
135.11714	14.4
137.05940	7.9
139.07509	2.3
145.10127	7.4
153.12767	9.0
161.19746	1.9
163.11206	18.3
177.12778	13.5
181.12231	100.0
213.82950	1.8
231.15913	20.2
247.16936	3.1
277.17859	2.5
286.92496	2.0
294.07776	1.8
383.68790	2.1
410.35556	2.4
428.37781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.7
55.01862	1.9
55.05517	8.9
57.03440	4.1
57.07070	4.0
60.04539	2.8
66.64329	1.7
67.05509	37.1
68.05032	8.1
69.03417	2.8
69.07073	15.9
71.04983	3.5
71.08633	2.4
79.05507	20.5
81.03413	12.9
81.07062	45.8
83.04987	4.6
83.08628	10.9
85.06551	2.9
87.04484	2.9
91.05473	12.2
93.07047	28.4
95.04953	5.1
95.08611	33.8
97.10155	3.5
99.04455	100.0
99.08083	16.4
102.05536	3.4
105.07014	10.1
107.08604	23.3
107.83125	1.9
109.06521	2.4
109.10144	19.1
112.17736	2.0
117.07013	4.5
119.08587	9.0
121.10175	20.4
123.11720	11.0
128.05685	2.0
128.07076	3.3
130.04959	18.0
131.08572	9.2
133.10106	8.4
134.29868	2.1
135.11697	13.1
137.60495	2.1
138.49399	2.2
139.11172	3.8
145.10139	3.9
147.11696	11.1
149.13248	9.9
156.06587	19.7
159.11739	3.5
161.13226	4.2
163.14799	8.3
177.12692	3.1
177.27727	1.8
193.12219	2.5
243.20981	5.0
259.20438	2.5
261.22089	23.8
277.21661	10.1
279.23254	13.0
295.22855	2.0
316.13968	2.1
366.29984	5.0
377.26913	16.5
411.06461	2.4
428.30048	76.8
429.30463	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54050	0.9
51.57313	1.0
56.05043	1.0
57.88323	1.0
66.05337	0.8
67.05503	2.5
69.07066	1.5
70.02953	2.0
73.16322	1.0
74.46290	1.0
75.91058	1.0
81.07082	1.9
87.05601	9.2
92.19129	1.0
95.08627	1.8
96.58095	1.2
101.09524	1.3
109.10155	6.8
119.08568	1.1
126.26214	1.1
133.06078	11.9
137.09619	8.2
152.14334	1.2
154.12259	32.9
154.15810	1.4
164.10687	1.3
166.12289	4.1
171.14914	14.9
172.13272	9.9
178.12292	2.5
180.13763	7.9
182.11656	1.4
183.14949	8.8
188.10722	1.8
190.12280	1.2
191.06990	2.6
197.16475	14.6
198.14909	2.4
206.11757	58.1
208.13446	3.5
210.11153	2.1
223.14418	17.2
224.12766	19.4
225.98186	1.1
240.15929	2.0
241.15540	2.6
242.18546	1.3
251.13979	1.1
257.18573	11.9
269.14792	2.0
286.17590	100.0
428.10419	12.5
428.16498	2.0
428.26007	12.7
428.31891	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49664	0.7
67.05487	0.8
68.27262	0.7
70.02948	3.2
70.97971	0.8
70.98457	0.7
74.77870	0.7
81.07063	0.9
81.96990	0.7
87.05589	11.9
88.04002	3.5
95.08612	10.9
97.10190	1.2
108.04521	1.0
110.06030	1.4
112.67567	0.8
121.06496	1.0
122.09728	0.8
123.08057	11.8
123.27526	0.8
133.06067	12.7
140.10706	27.4
140.11723	1.3
150.09222	1.1
152.10719	6.8
152.48734	0.9
154.04999	1.2
157.13373	16.0
158.11766	4.6
160.36427	0.9
164.10756	1.6
166.12265	10.6
168.10242	0.9
169.13451	5.1
174.09164	1.1
175.44270	0.9
183.14914	12.7
191.07048	0.9
192.10188	51.3
194.11723	3.2
196.09717	7.4
207.06560	1.4
209.12817	18.6
210.11252	16.9
213.12436	1.8
219.06400	3.2
220.09827	1.1
227.13913	3.3
228.16963	1.1
237.12405	1.1
238.10684	6.1
254.15282	0.9
255.13412	1.7
271.20145	1.2
272.16034	100.0
354.13437	3.6
360.68353	0.9
384.12415	4.7
412.11786	30.6
413.12900	3.6
428.15060	67.0
428.31119	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3161
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
55.05512	1.1
56.07871	0.5
57.07076	0.8
67.05507	5.9
69.03419	0.9
69.07069	1.2
71.08624	0.7
75.19936	0.7
79.05489	0.9
81.03431	1.3
81.07057	6.4
83.08637	1.4
92.21549	0.9
93.07033	3.2
95.08605	6.4
95.97482	0.6
96.07946	0.7
97.10200	1.2
103.05467	1.4
105.06999	0.8
107.08562	1.1
109.10168	3.3
119.08584	0.9
120.08102	100.0
131.04955	1.5
148.37662	0.7
149.06023	1.7
166.08629	49.0
223.26530	0.8
375.34207	0.8
382.31131	1.7
392.29007	1.2
410.29791	1.1
427.70218	0.8
428.31448	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
55.13807	0.8
56.05031	1.4
57.03439	1.1
57.07084	7.0
58.08365	0.8
60.04530	52.3
67.05511	10.1
69.07063	5.8
71.08619	2.1
72.64999	1.3
74.04540	1.0
79.05497	4.3
79.18605	1.1
81.07053	10.3
82.06587	12.2
83.08627	7.4
85.10168	1.3
91.05476	2.0
93.07036	12.1
94.06570	10.3
95.04961	11.1
95.08588	7.0
96.08147	2.2
97.06528	1.7
97.10194	1.3
98.09684	4.0
107.04988	0.9
108.08086	1.9
109.10212	1.2
110.09676	7.3
111.08064	2.4
112.07555	1.2
120.08093	6.2
121.06486	7.1
126.09162	7.9
138.09142	38.6
139.07538	6.0
155.01003	1.5
156.10193	19.8
156.11372	1.7
174.11307	6.9
266.24796	1.2
313.27350	8.2
379.79340	1.0
392.30484	1.0
393.23920	1.0
394.46255	1.1
410.32498	10.3
428.33701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54693	0.4
78.68975	0.5
79.05501	0.6
81.07055	1.0
95.08604	0.6
103.47649	0.6
105.07027	0.6
160.06175	27.0
160.07524	0.9
186.07764	1.3
203.07991	1.0
206.11998	0.6
256.26331	0.9
270.70450	0.6
310.35562	0.6
410.32535	1.2
428.33810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	1.1
71.98029	0.8
74.38168	0.8
79.71606	0.7
93.07052	3.9
95.04967	1.0
103.05485	3.4
121.06507	100.0
168.56007	0.8
181.14009	0.8
207.81317	0.9
218.80183	0.9
308.29471	26.5
428.35309	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14420	0.5
54.20351	0.4
57.25383	0.4
58.39344	0.5
58.81419	0.5
67.05502	2.3
68.91382	0.6
69.07048	0.7
79.05484	0.6
81.07063	1.4
88.95074	0.6
93.06996	0.8
95.08584	0.6
107.08628	0.7
109.10191	0.7
119.08628	0.6
135.11707	1.3
183.56972	0.7
193.04906	1.2
194.46396	0.6
198.14835	0.9
230.11372	0.6
277.21613	1.0
295.22607	1.1
320.09152	2.8
334.10602	2.5
351.18423	0.7
365.16446	0.8
368.08047	1.1
369.19299	1.1
371.06720	1.4
383.06558	3.3
384.07260	0.8
385.08200	28.4
387.20630	1.3
391.30783	0.7
397.08221	7.9
399.06082	13.3
400.06717	1.0
413.07666	65.2
414.08459	21.4
429.10779	100.0
429.15109	5.0
447.62271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1292
Annotation	Eupachloroxin
Peak:m/z	Relative Intensity
50.15656	0.2
51.61764	0.3
55.03228	0.3
71.73324	0.3
80.79316	0.3
80.79984	0.3
84.32941	0.3
102.67848	0.3
103.30547	0.3
142.48526	0.3
147.04414	0.7
162.78490	0.3
226.08614	11.5
233.77180	0.3
260.05853	1.4
286.10666	0.6
357.10776	3.3
429.12918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.3
59.32093	0.2
59.63061	0.2
62.47359	0.3
70.06628	0.4
75.31324	0.2
79.58585	0.2
84.01837	0.3
86.00184	0.3
86.09729	0.3
92.21008	0.3
93.06857	0.3
93.27148	0.3
111.10246	0.3
148.42146	0.3
168.95714	0.3
186.49084	0.3
226.08606	11.2
226.10712	0.5
286.10709	0.4
357.10846	3.2
429.12930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.3
59.32093	0.2
59.63061	0.2
62.47359	0.3
70.06628	0.4
75.31324	0.2
79.58585	0.2
84.01837	0.3
86.00184	0.3
86.09729	0.3
92.21008	0.3
93.06857	0.3
93.27148	0.3
111.10246	0.3
148.42146	0.3
168.95714	0.3
186.49084	0.3
226.08606	11.2
226.10712	0.5
286.10709	0.4
357.10846	3.2
429.12930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59106	1.5
52.61726	1.5
55.01878	3.4
56.64058	1.4
58.06599	7.8
58.17543	1.6
70.06590	6.7
72.08159	6.6
81.03391	3.2
85.02905	8.8
86.09701	2.5
87.03207	9.9
87.04494	1.7
87.39902	1.9
91.05482	15.9
97.02897	3.7
99.04446	3.3
105.07039	4.0
107.04976	1.8
109.02893	2.5
116.07077	3.0
120.08102	33.7
121.06509	2.1
124.03909	1.7
125.04755	14.6
126.05538	1.7
127.03934	13.7
130.06540	8.4
131.04907	3.6
132.08089	36.7
142.16136	1.5
144.08075	9.4
156.08076	2.9
162.09169	7.1
166.08711	1.7
173.12819	2.5
176.07104	2.7
178.08585	2.1
182.09619	2.1
197.12891	1.9
210.09178	9.5
226.08592	8.5
228.10164	9.9
228.71587	1.9
231.12196	1.9
246.11281	9.2
246.21770	1.7
248.02498	1.9
260.94934	1.7
275.05408	2.5
296.19891	2.5
318.13449	7.3
324.12704	1.8
347.12302	3.3
362.34140	1.9
365.13458	28.9
393.13019	10.9
411.14001	100.0
429.12665	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01109	0.8
54.84294	0.9
55.06086	0.8
62.80829	0.9
91.05492	4.1
97.51540	0.9
108.93198	1.0
123.08052	2.0
135.04370	1.0
136.05188	17.1
145.06413	1.8
150.67886	1.0
151.03978	1.4
162.03149	1.1
165.05519	2.4
166.06244	100.0
167.07008	2.1
173.05949	2.3
175.07518	2.1
181.08586	89.2
191.06990	1.2
193.18964	0.9
195.06516	1.1
200.04643	8.9
205.05070	1.0
228.04108	13.7
231.10165	5.3
246.05304	10.4
261.07553	38.7
275.09238	1.6
277.08527	1.5
337.10510	4.0
352.13055	1.5
353.10257	1.4
370.13864	1.3
381.09293	2.0
385.16562	2.3
399.14337	2.0
411.14035	3.9
429.15219	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21290	0.7
57.56744	0.7
59.74380	0.7
78.92398	0.8
79.13186	0.8
85.69681	0.8
91.05480	5.4
92.15428	0.8
99.00532	0.8
99.04462	6.9
104.21738	0.8
108.01971	0.8
111.70572	0.9
113.06021	1.7
121.06472	1.0
123.08057	1.9
136.05194	16.4
145.06477	1.8
145.94357	0.9
151.03879	1.5
161.05847	1.0
165.05479	3.1
166.06242	100.0
173.05942	1.5
175.55928	0.9
181.08586	84.8
200.04665	6.9
215.66805	0.9
228.04112	12.7
246.05278	9.2
246.19717	0.9
261.07556	38.0
288.87677	0.8
336.12448	1.4
411.14441	1.7
429.11179	3.2
429.16132	1.7
434.81799	0.9
443.61551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
91.05457	1.5
96.29753	1.4
107.04944	6.7
107.06509	1.4
131.04936	11.8
144.05850	1.6
155.04887	3.1
161.06056	1.6
167.07027	40.5
177.05399	1.8
187.07547	6.5
191.07066	9.2
195.06517	2.8
203.08575	2.6
215.07022	14.5
216.43657	1.4
220.08810	2.2
221.09602	3.1
231.07997	13.3
234.06747	5.7
235.07602	2.1
244.05325	1.7
245.05867	2.6
247.07480	3.3
248.08206	5.8
249.09036	13.2
258.06808	2.7
259.07480	15.3
260.08289	2.7
260.25089	1.3
262.06094	2.3
263.07065	2.6
263.10599	1.7
266.09247	2.0
272.04639	3.0
273.05621	1.5
275.07071	3.1
276.07767	14.6
277.08585	10.4
278.09424	2.4
286.06238	1.5
287.07001	10.7
288.07782	2.3
289.04709	1.8
289.08548	6.8
290.06125	2.2
290.09235	12.5
291.10114	24.1
293.08008	5.4
294.08948	3.5
295.09781	2.0
303.06680	2.1
304.07349	14.9
305.08075	40.1
306.08853	8.3
309.11160	3.2
318.08774	2.4
319.09641	37.7
320.10330	2.8
321.07541	2.9
322.08340	3.5
336.09723	3.4
337.10721	40.0
351.12238	100.0
369.13242	23.8
411.14053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91435	0.6
72.08162	0.8
73.08437	0.5
74.02442	1.1
75.24126	0.6
83.83466	0.6
84.04509	9.1
85.02903	3.3
92.21003	0.7
97.59583	0.6
121.06506	100.0
126.05567	0.7
127.03933	0.8
130.04988	11.3
136.07541	5.6
137.07922	1.1
138.09132	14.2
150.05605	0.7
166.05376	3.7
167.05612	1.0
221.12900	4.4
236.14767	0.7
250.10709	11.6
267.13403	20.2
300.14688	0.7
412.16196	1.3
429.13297	1.7
429.18759	34.6
436.34378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.0
81.03410	1.1
84.04514	10.6
85.02890	6.0
85.03346	0.9
97.02883	1.2
99.04480	1.1
106.17706	1.0
121.06503	100.0
127.03939	1.7
130.05013	21.4
132.75554	1.0
138.09140	36.9
167.33820	0.8
190.14958	0.9
199.22273	0.9
204.10132	4.0
221.12874	4.3
227.30214	1.0
250.10759	23.7
267.13409	51.3
267.16849	4.0
391.18530	0.9
429.13080	1.7
429.18411	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37496	1.6
55.58966	1.4
64.58067	1.6
68.05006	2.6
70.06593	2.6
72.00536	1.6
73.46977	1.6
81.03410	17.7
83.04972	2.3
84.04500	10.6
86.06076	21.4
93.07043	2.5
93.22865	1.9
97.02882	25.5
111.04432	7.3
114.05519	7.6
120.08105	2.5
121.06502	100.0
127.03902	3.0
127.65192	2.2
130.04997	54.5
134.06021	2.6
136.07567	3.4
138.09126	12.8
142.04973	3.8
148.07610	5.8
162.03410	2.0
162.05481	10.6
164.07056	9.6
166.08612	2.5
176.07069	2.7
192.06412	5.9
194.08133	12.4
204.10219	2.6
206.11789	19.7
208.06076	45.7
212.09126	3.3
228.08664	2.1
237.06259	2.3
238.07077	11.8
244.06844	1.7
246.14761	2.0
250.10712	31.5
256.08038	2.4
345.14453	36.1
355.22507	1.8
375.15625	3.7
393.16501	54.7
411.17697	27.2
429.18906	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.0
81.03410	1.1
84.04514	10.6
85.02890	6.0
85.03346	0.9
97.02883	1.2
99.04480	1.1
106.17706	1.0
121.06503	100.0
127.03939	1.7
130.05013	21.4
132.75554	1.0
138.09140	36.9
167.33820	0.8
190.14958	0.9
199.22273	0.9
204.10132	4.0
221.12874	4.3
227.30214	1.0
250.10759	23.7
267.13409	51.3
267.16849	4.0
391.18530	0.9
429.13080	1.7
429.18411	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05009	3.0
72.26696	1.3
73.38464	1.6
81.03425	19.8
83.05006	3.0
84.04502	11.5
85.02895	2.2
86.06072	21.9
95.04930	1.7
96.04535	1.5
97.02885	22.7
99.04463	1.6
111.04433	8.2
111.39047	1.4
114.05508	6.7
121.06494	100.0
130.04999	54.2
134.06021	2.8
136.07608	2.6
138.09161	12.9
142.04985	3.5
148.07567	3.0
162.05493	10.5
164.07043	10.8
165.07458	3.0
166.08653	2.0
176.07103	3.1
178.04971	1.9
180.06477	2.0
192.06578	8.9
194.08147	14.6
206.11725	14.0
208.06044	37.1
210.07608	2.5
212.09245	3.0
226.07147	2.0
228.08765	2.9
238.07089	12.9
250.10753	36.1
256.08041	2.7
264.12268	2.5
326.83783	1.5
345.14465	21.7
375.15585	2.5
393.16608	48.9
411.17526	23.9
429.13586	2.8
429.18671	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.2
51.27130	0.2
53.03962	2.9
54.76258	0.2
55.01878	0.3
57.03442	0.3
65.63132	0.2
67.05505	0.5
69.03432	2.9
71.04980	1.5
72.00774	0.2
73.02927	1.0
74.01548	0.3
81.03427	8.6
81.07051	0.6
82.62566	0.2
85.02907	7.5
85.03384	0.5
91.03963	0.3
95.04952	1.7
97.02911	3.0
99.04460	100.0
105.07018	0.3
107.08614	1.4
107.40017	0.2
108.66224	0.2
109.02894	1.7
109.06513	0.5
109.10160	16.1
114.09204	1.9
117.05495	14.7
121.10114	0.3
123.11716	2.3
127.03902	3.5
133.10162	0.5
145.04971	1.3
150.04678	0.3
151.11172	4.7
163.05461	0.6
166.06290	0.3
169.06613	0.3
169.12260	2.7
177.69153	0.3
181.08650	0.6
190.06474	0.6
191.07230	1.2
192.07831	0.3
204.08258	0.3
219.06842	0.6
243.08736	2.4
261.07327	0.5
261.09717	6.4
263.05698	0.4
278.07938	2.1
292.09723	0.4
304.09692	0.4
313.16461	0.4
320.09479	0.4
411.20294	0.5
429.21521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08980	0.4
53.03950	3.0
56.58799	0.5
58.06594	0.9
66.09102	0.5
67.68514	0.5
69.03434	1.4
71.04974	0.6
81.03430	9.4
85.02898	5.2
91.05500	0.7
93.07048	1.3
97.02895	3.8
99.04457	100.0
109.02838	0.7
109.10162	7.2
117.05488	13.8
127.03930	1.4
135.11679	1.1
145.04970	3.0
151.11185	3.7
169.12224	3.1
191.07257	2.6
212.37297	0.6
214.60216	0.8
243.08652	0.7
261.07220	0.9
261.09650	9.0
278.08136	2.4
320.09048	0.7
429.15488	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08980	0.4
53.03950	3.0
56.58799	0.5
58.06594	0.9
66.09102	0.5
67.68514	0.5
69.03434	1.4
71.04974	0.6
81.03430	9.4
85.02898	5.2
91.05500	0.7
93.07048	1.3
97.02895	3.8
99.04457	100.0
109.02838	0.7
109.10162	7.2
117.05488	13.8
127.03930	1.4
135.11679	1.1
145.04970	3.0
151.11185	3.7
169.12224	3.1
191.07257	2.6
212.37297	0.6
214.60216	0.8
243.08652	0.7
261.07220	0.9
261.09650	9.0
278.08136	2.4
320.09048	0.7
429.15488	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64074	0.3
53.99366	0.3
56.96564	0.3
86.00282	0.3
86.36607	0.4
89.56404	0.4
92.21011	0.6
93.07063	0.4
105.07014	4.3
327.15027	2.6
341.16241	0.7
365.16223	0.4
373.15652	0.5
387.21118	0.4
400.17838	1.7
401.18561	31.5
414.19229	0.5
429.21713	100.0
429.33560	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64074	0.3
53.99366	0.3
56.96564	0.3
86.00282	0.3
86.36607	0.4
89.56404	0.4
92.21011	0.6
93.07063	0.4
105.07014	4.3
327.15027	2.6
341.16241	0.7
365.16223	0.4
373.15652	0.5
387.21118	0.4
400.17838	1.7
401.18561	31.5
414.19229	0.5
429.21713	100.0
429.33560	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73458	1.0
57.07073	1.8
64.11231	1.2
66.10276	1.1
67.05505	3.1
69.07050	2.1
69.08119	1.3
79.05465	2.5
81.07053	3.5
83.04980	1.5
84.04545	1.4
91.05460	1.7
93.07020	6.0
95.04953	2.5
95.08599	5.7
97.10192	1.4
105.07067	3.3
107.08604	5.9
109.10133	2.3
111.01366	1.3
113.98863	1.5
121.10118	2.8
125.94325	1.5
131.08577	1.7
133.10097	3.1
135.11705	2.3
153.05223	100.0
153.90825	1.3
156.15596	1.4
173.09367	1.8
173.13290	1.8
194.21185	1.4
204.84877	1.4
240.23328	1.8
242.23904	5.3
262.41403	1.4
299.19803	29.2
372.71088	1.5
429.25653	2.9
429.31683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83354	2.9
56.05037	4.3
57.89434	3.5
58.06379	3.0
58.06608	44.7
61.27343	3.3
62.28594	3.4
70.06613	13.6
72.08165	54.8
74.06078	25.0
74.16921	3.1
76.77352	3.2
86.09705	100.0
102.41571	4.2
104.17826	3.6
114.05542	3.9
114.97071	3.6
116.07098	90.3
126.64093	4.3
129.04671	3.4
148.79846	4.3
151.75597	4.1
152.06232	4.2
165.07001	19.0
178.07675	4.4
185.16472	63.5
189.06979	4.8
199.10757	7.8
213.15991	21.9
217.11833	67.2
227.10347	6.0
250.81952	4.2
267.08435	4.1
314.20700	42.7
326.44061	3.8
369.18604	4.0
411.26062	21.4
429.27045	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83354	2.9
56.05037	4.3
57.89434	3.5
58.06379	3.0
58.06608	44.7
61.27343	3.3
62.28594	3.4
70.06613	13.6
72.08165	54.8
74.06078	25.0
74.16921	3.1
76.77352	3.2
86.09705	100.0
102.41571	4.2
104.17826	3.6
114.05542	3.9
114.97071	3.6
116.07098	90.3
126.64093	4.3
129.04671	3.4
148.79846	4.3
151.75597	4.1
152.06232	4.2
165.07001	19.0
178.07675	4.4
185.16472	63.5
189.06979	4.8
199.10757	7.8
213.15991	21.9
217.11833	67.2
227.10347	6.0
250.81952	4.2
267.08435	4.1
314.20700	42.7
326.44061	3.8
369.18604	4.0
411.26062	21.4
429.27045	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99208	0.6
63.43365	0.6
69.07086	1.0
72.72118	0.7
76.69492	0.7
78.45495	0.7
81.07044	1.0
91.05493	0.9
95.08582	0.7
109.10191	0.7
109.65620	0.6
118.53329	0.7
119.04908	1.0
133.10112	0.9
148.31313	0.8
151.07526	8.9
337.41663	0.9
377.88104	0.8
379.03708	0.9
411.32275	1.0
429.31851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10674	0.5
55.05516	0.9
57.07075	3.2
62.66458	0.6
63.30116	0.6
69.07065	1.1
70.06591	5.9
71.08627	3.8
73.45890	0.6
79.05501	1.0
81.07066	0.7
83.08640	2.6
85.10184	1.1
86.06034	0.6
88.07631	16.7
93.07048	1.3
95.08598	2.5
99.04471	3.2
102.09181	15.5
111.08101	4.3
114.27391	0.7
117.68822	0.7
121.06483	0.7
128.10716	2.7
133.06522	1.0
133.10204	0.9
138.09164	1.5
139.07541	8.0
139.64520	0.6
156.10229	5.3
169.02563	0.9
182.11731	2.6
183.10152	11.1
200.12816	26.0
201.11343	0.9
212.23680	5.4
256.26340	100.0
274.27438	6.3
277.82315	0.7
324.08691	0.7
411.35553	0.8
429.12167	0.8
429.36911	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
57.07081	3.6
58.06601	0.7
60.74879	0.5
70.06600	6.5
71.08615	0.9
72.09991	0.6
73.02909	0.8
73.17908	0.6
83.08609	1.1
85.10197	0.9
88.07632	20.0
92.21474	0.7
93.07037	0.7
95.08599	1.4
98.28173	0.6
99.04444	3.2
102.09178	15.2
106.23944	0.7
110.09690	1.3
111.08071	2.5
119.08563	5.1
121.06449	0.7
128.10730	1.3
133.10141	6.4
138.09192	2.7
139.07550	6.9
156.10204	4.2
157.08594	0.7
182.11827	1.5
183.10179	11.8
184.07304	0.6
196.55008	0.7
200.12816	28.3
212.23798	2.5
256.26334	100.0
263.16812	0.7
274.27386	4.2
312.08597	0.7
336.12512	0.8
411.35715	1.0
429.36865	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43430	0.4
57.07081	2.8
69.07054	0.8
70.06602	6.4
71.08631	2.5
73.02910	0.5
74.46689	0.5
83.08629	3.3
88.07632	16.7
92.21520	0.8
94.78418	0.6
95.08612	1.2
98.80663	0.7
99.04449	2.8
102.09191	13.1
105.07041	0.6
110.09703	0.8
111.08086	3.4
121.06474	0.7
128.10744	1.3
138.09138	1.1
139.07579	6.1
151.20650	0.5
156.10193	4.1
157.08636	0.9
182.11801	3.2
183.10182	10.5
189.63771	0.6
200.12811	24.9
212.23795	3.3
256.26331	100.0
274.27454	3.7
277.11438	0.6
355.59402	0.6
365.16232	0.8
401.18805	1.1
427.86624	0.6
429.21744	26.9
429.36938	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79187	0.8
54.14516	0.9
57.07081	4.1
59.45541	0.9
68.10963	0.9
70.06597	6.8
71.08632	1.5
83.08630	1.0
88.07633	21.7
88.79317	1.1
93.07027	1.6
99.04466	1.5
102.09197	19.0
105.29855	1.0
111.08101	2.3
115.87873	1.0
125.79077	1.2
128.10696	2.6
139.07503	7.4
154.81326	1.3
156.10211	5.6
182.11809	1.7
183.10213	10.5
200.12814	24.5
201.11209	1.2
215.09956	1.1
250.44319	1.1
256.26331	100.0
258.93735	1.2
259.37659	1.1
274.27512	4.6
311.14746	1.1
367.33234	1.6
429.36911	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
50.32550	2.5
54.38668	2.0
56.52918	2.1
67.05532	2.6
69.07062	11.8
71.08636	10.0
79.05485	2.5
81.07071	14.7
83.08625	3.5
85.10134	3.0
87.31123	2.5
91.05807	3.1
95.08599	18.4
97.10197	2.4
102.84563	2.5
107.08608	3.2
121.10188	2.9
123.11702	4.0
147.11682	3.4
149.13295	2.7
157.10141	3.2
159.11668	2.7
167.05624	3.1
175.11191	3.9
199.01086	3.0
219.63837	2.9
220.68201	2.6
330.59573	2.6
393.34662	4.3
411.36050	6.3
429.09113	3.3
429.31763	4.1
429.37292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.12316	3.3
53.28236	4.1
57.07076	17.1
69.07065	6.3
71.08618	8.2
74.07663	4.2
76.27900	3.8
83.08592	4.8
85.10195	5.2
87.22140	3.6
95.08591	5.2
149.09595	8.9
163.11180	26.6
165.09105	96.2
177.09091	8.0
191.10742	16.9
195.89409	4.6
205.12119	5.0
246.22719	4.6
253.96243	5.5
429.31729	6.6
429.37128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	HMDB12168
Peak:m/z	Relative Intensity
50.09568	1.1
55.05516	2.1
57.07093	11.8
67.05492	6.9
68.94392	1.4
69.07066	14.9
71.08636	11.4
79.05493	5.5
81.07062	16.2
81.07478	1.6
83.04975	2.8
83.08636	9.8
85.10179	8.2
85.67544	1.2
91.05477	9.0
93.07040	8.5
95.08609	30.1
97.06530	6.7
97.10183	8.8
105.07034	14.4
107.08601	11.6
109.06446	1.9
109.10142	20.4
111.04419	9.7
111.08094	2.5
111.11740	6.7
112.04794	1.7
115.08724	1.6
119.08603	11.3
121.06570	1.8
121.10149	12.7
123.08062	1.9
123.11706	2.4
130.95078	1.8
131.08582	6.3
133.10130	21.5
135.08037	2.8
135.11731	16.2
137.05971	15.0
137.09659	2.5
137.13269	2.2
138.06340	8.4
143.08572	2.6
145.10107	7.6
147.11714	8.4
149.09607	7.7
149.13278	2.5
151.11217	1.7
153.12662	1.3
155.08504	1.5
157.10127	16.6
159.11702	9.5
161.09645	2.2
161.13297	6.1
163.11206	18.5
163.14949	2.2
164.11665	1.4
171.11729	6.5
173.13271	5.9
175.14893	1.9
177.12822	6.9
181.12260	6.5
182.12567	9.7
183.11661	5.4
185.13284	5.2
187.14813	2.8
189.16435	1.7
191.14201	2.1
197.13255	7.9
199.14845	3.4
201.16495	5.2
211.14853	7.6
213.16473	3.0
219.17413	1.4
225.16405	2.8
229.15781	1.8
239.17934	2.5
253.19490	2.8
271.20810	1.7
277.18042	2.4
278.18369	9.1
303.26758	3.1
310.20776	1.9
317.28525	2.8
393.35248	12.4
411.36227	100.0
429.37308	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70224	0.3
59.04972	0.3
81.03407	0.5
88.82462	0.4
89.06045	0.4
92.20954	0.4
99.04436	4.0
100.04755	0.5
117.05504	0.8
121.86137	0.3
139.05309	0.4
140.67993	0.4
190.06490	0.6
191.07211	0.5
220.07487	0.4
233.15155	0.4
263.05862	0.6
278.08069	1.5
292.09583	0.5
301.07230	0.4
320.09235	0.7
329.06766	5.4
340.09851	0.7
354.06943	0.5
356.05399	0.7
356.09216	1.5
357.06375	5.2
358.10721	1.9
368.09210	2.4
372.08652	0.6
384.08694	3.4
386.10205	4.7
402.09833	3.5
430.09213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27138	1.0
70.78548	1.2
78.90748	1.1
81.51795	1.1
83.60639	1.1
122.88885	1.2
142.24976	1.4
148.66231	1.2
282.39941	1.2
354.07773	1.3
356.05496	2.1
358.07077	68.7
368.09171	5.6
374.10364	5.1
384.12341	1.7
386.06323	5.9
386.10782	10.0
396.08649	8.7
397.09409	2.0
400.08115	13.8
412.11862	5.3
414.09744	15.1
415.10577	6.1
430.12842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1494
Annotation	Cottoquinazoline A
Peak:m/z	Relative Intensity
50.71567	0.2
50.92297	0.2
53.03989	0.3
55.35564	0.3
58.00179	0.2
62.50387	0.2
69.03444	0.5
70.06606	0.3
81.03446	1.5
85.02934	1.4
86.06098	0.3
97.02948	0.7
99.04441	2.9
106.06539	0.4
108.08149	1.1
121.06521	1.5
122.06870	0.4
124.07629	1.4
130.04982	0.5
134.06059	0.4
152.07053	11.0
154.08618	0.4
156.04477	1.1
164.07024	0.4
170.08127	1.7
174.05487	13.0
175.06267	0.4
209.06450	0.5
226.27960	0.3
254.09016	0.3
268.09653	100.0
298.13794	0.3
346.14581	0.4
387.53778	0.4
394.16833	0.5
412.15897	2.7
430.14865	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71567	0.2
50.92297	0.2
53.03989	0.3
55.35564	0.3
58.00179	0.2
62.50387	0.2
69.03444	0.5
70.06606	0.3
81.03446	1.5
85.02934	1.4
86.06098	0.3
97.02948	0.7
99.04441	2.9
106.06539	0.4
108.08149	1.1
121.06521	1.5
122.06870	0.4
124.07629	1.4
130.04982	0.5
134.06059	0.4
152.07053	11.0
154.08618	0.4
156.04477	1.1
164.07024	0.4
170.08127	1.7
174.05487	13.0
175.06267	0.4
209.06450	0.5
226.27960	0.3
254.09016	0.3
268.09653	100.0
298.13794	0.3
346.14581	0.4
387.53778	0.4
394.16833	0.5
412.15897	2.7
430.14865	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.8
62.42347	0.5
68.38239	0.5
69.03423	0.6
70.06640	0.7
85.02883	0.8
97.02840	0.7
99.04434	3.9
100.47306	0.7
106.06524	1.1
108.08089	2.8
124.07547	0.8
134.05989	0.8
136.07603	0.8
152.07066	9.1
156.04393	1.0
161.85236	0.6
170.08089	2.8
174.05508	13.3
234.19922	0.6
249.63977	0.7
255.05188	1.5
268.09677	100.0
269.09161	1.1
270.07559	14.5
291.15002	0.8
292.85144	0.7
296.09106	3.9
340.07516	0.6
368.07431	1.5
385.10416	5.0
414.12363	0.7
430.15015	55.2
448.23911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47809	0.2
57.03422	0.3
61.02922	0.7
62.03563	0.2
69.03416	1.6
73.02946	0.5
81.03429	0.5
85.02896	3.6
97.02878	2.0
99.04422	0.5
109.02876	0.4
109.32281	0.3
121.06541	0.6
127.03886	1.2
127.35571	0.3
136.06186	100.0
193.06953	0.3
215.25493	0.3
240.18922	0.3
268.10400	3.6
430.15646	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47809	0.2
57.03422	0.3
61.02922	0.7
62.03563	0.2
69.03416	1.6
73.02946	0.5
81.03429	0.5
85.02896	3.6
97.02878	2.0
99.04422	0.5
109.02876	0.4
109.32281	0.3
121.06541	0.6
127.03886	1.2
127.35571	0.3
136.06186	100.0
193.06953	0.3
215.25493	0.3
240.18922	0.3
268.10400	3.6
430.15646	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76948	0.8
56.00525	0.9
57.63422	0.9
58.06601	4.6
58.77994	1.2
63.01274	0.9
70.06593	2.3
77.78881	0.9
99.04448	1.7
103.51493	1.0
106.06531	1.2
108.08082	1.4
129.10327	1.3
152.07062	2.5
174.05551	6.9
195.04510	1.9
214.07158	1.5
242.08067	1.3
255.05222	13.3
268.09686	59.4
269.09161	11.5
270.07599	100.0
271.06052	2.0
281.06912	1.4
296.09222	21.9
297.08682	2.5
322.06952	7.4
340.08075	1.9
367.09198	2.3
368.07611	8.3
370.07877	1.6
385.10364	25.8
427.48224	1.3
430.15836	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84699	0.5
96.42986	0.7
102.09615	0.6
119.33662	0.6
126.31471	0.6
128.56734	0.7
139.28430	0.6
143.01921	0.9
167.06647	0.8
181.08470	0.6
182.68309	0.7
196.95082	0.7
248.67067	0.7
289.30972	0.6
291.96844	0.8
320.08926	0.9
334.10800	1.0
369.13647	1.4
372.12311	5.0
385.13184	1.4
386.13815	34.2
398.13889	10.4
400.11792	24.1
414.13351	53.9
415.08578	1.3
415.14142	25.6
430.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96973	0.3
56.93880	0.3
59.55525	0.3
59.90686	0.3
69.06623	0.3
74.38728	0.3
74.98466	0.3
88.74985	0.3
90.89127	0.4
91.71611	0.3
92.27267	0.4
102.13955	0.4
118.08617	0.6
214.13741	0.4
369.13580	2.5
372.12289	6.2
380.08609	0.5
385.13116	1.7
386.13831	34.1
398.13947	10.0
400.11780	22.4
401.12619	0.6
414.13342	55.7
415.08566	0.8
415.14145	24.0
430.16486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04533	0.5
56.11303	0.5
64.18227	0.6
92.33073	0.6
92.44446	0.5
118.08652	1.1
147.19334	0.6
182.87560	0.7
293.47092	0.7
320.09238	0.7
369.13718	1.1
372.12247	6.0
385.12665	1.2
386.13861	37.8
398.13937	10.0
400.11777	20.5
401.13440	0.7
410.68359	0.6
414.07736	1.4
414.13345	55.2
415.14114	26.7
430.16489	100.0
439.21945	0.7
453.41495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46269	0.7
70.39761	0.7
78.68053	0.7
80.36790	0.7
156.58047	0.8
287.47711	0.9
290.08026	1.2
318.07593	3.6
319.08432	1.8
320.09070	3.7
334.10791	1.8
369.13379	1.3
372.12387	4.0
386.13843	34.3
398.13797	9.3
400.11774	21.5
401.12375	1.2
414.13351	54.1
415.14169	24.9
430.16574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92044	0.6
56.05038	0.6
62.06089	0.9
64.08385	0.6
70.02957	0.6
70.06590	1.4
72.04520	1.6
74.06081	1.4
80.88315	0.7
81.03433	2.6
82.06584	1.1
85.02905	1.6
86.06077	1.1
91.05466	4.3
95.04958	0.9
96.61729	0.6
98.06020	0.6
99.04469	2.5
100.03976	0.9
100.07608	0.7
108.04488	2.6
109.02862	2.7
116.07080	0.8
119.04942	13.7
119.77923	0.6
121.06507	1.1
122.06044	13.6
124.07601	3.6
125.04729	1.0
128.07072	4.1
136.75708	0.8
142.08786	0.9
147.04420	17.8
152.07065	24.7
170.08128	10.3
175.03903	70.7
179.15419	0.7
188.09180	3.2
192.63092	0.7
206.10271	2.5
207.06523	100.0
215.15958	0.7
273.12277	0.8
288.24939	0.6
331.67111	0.7
394.14951	12.6
412.15979	13.3
430.17007	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08899	1.0
58.06576	1.1
62.51980	0.8
63.98362	1.0
72.04530	2.1
74.06075	1.8
81.03423	1.7
84.08155	1.2
85.02890	1.4
86.06060	2.4
86.09724	1.0
88.69443	0.8
91.05476	1.8
99.04456	2.3
102.84389	0.9
109.02879	2.0
119.04935	15.0
122.06018	10.5
124.07612	2.3
125.04730	1.5
128.07100	5.2
147.04413	16.8
152.07068	22.1
170.08109	10.6
170.41217	1.1
175.03902	68.0
188.09155	2.2
200.53185	1.1
206.10213	2.4
207.06526	100.0
210.99475	1.0
244.63301	1.1
271.11960	5.1
336.30789	1.1
394.15005	8.2
401.59561	1.1
412.15955	16.1
430.18301	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.40592	1.2
53.66645	1.1
58.06596	1.5
61.52539	1.2
66.07922	1.2
67.65459	1.2
69.03434	3.3
71.04969	1.6
79.05483	1.3
81.03418	9.7
85.02931	6.8
92.20982	1.4
96.08141	2.6
97.02898	1.7
99.04457	32.2
106.06558	23.5
108.08118	26.4
121.06537	5.4
123.04388	2.3
124.07603	14.8
127.03953	2.1
130.75529	1.3
134.05992	14.7
135.04401	1.8
136.07642	9.0
152.07071	83.8
162.05548	2.2
164.07069	11.4
170.08136	21.5
174.05562	5.7
176.07144	9.6
178.08765	1.5
259.03622	1.5
268.09650	45.0
296.11307	24.6
314.12518	6.8
316.55051	1.5
339.37857	1.5
412.15936	11.2
427.47415	1.6
430.17163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12341	0.4
54.69169	0.5
58.06605	0.9
62.06077	1.0
62.34299	0.5
69.03394	0.7
70.06590	1.2
72.04512	2.4
74.06064	3.1
76.78795	0.6
80.05016	0.6
81.03417	3.2
83.05001	0.6
85.02900	1.2
86.06062	3.0
86.09686	0.8
91.05481	3.2
92.78280	0.5
94.06519	0.6
95.04980	1.3
96.08152	0.6
97.02891	0.6
98.06032	0.6
99.04465	1.3
100.04011	2.1
100.07639	0.9
104.07137	0.6
108.04468	0.9
108.60303	0.5
109.02895	1.0
119.04926	12.8
122.06010	12.1
124.07583	2.8
125.04710	1.2
128.07069	3.5
140.65912	0.6
142.08614	1.1
147.04401	20.7
152.07062	26.2
152.85425	0.5
157.03990	0.7
170.08133	10.0
175.03889	70.3
179.07025	0.7
188.09119	2.3
206.10242	2.3
207.06512	100.0
267.08563	2.3
268.09592	1.1
274.58881	0.6
394.14902	11.8
412.16064	12.8
430.10410	2.9
430.16708	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
56.78213	0.7
59.93251	0.9
65.53320	0.7
69.03442	3.6
70.15088	0.8
71.04987	0.8
79.05512	1.3
81.03429	5.9
85.02916	5.9
92.05015	1.1
96.08142	1.4
97.02922	3.7
99.04457	36.0
99.05075	1.3
106.06556	32.3
108.08121	26.8
108.08824	1.3
109.02896	1.6
120.13007	0.8
123.06844	4.0
124.07603	17.3
127.03979	3.4
134.06010	19.1
134.06946	1.0
136.07585	10.4
137.08295	0.9
152.07074	91.2
153.98621	0.8
154.68900	1.0
156.04533	0.8
162.96661	0.8
170.08115	29.2
174.05464	7.2
180.43518	1.0
211.36966	0.8
268.09671	47.4
301.26599	0.9
412.16153	8.2
430.17160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.8
69.03435	0.8
70.06615	0.7
71.00269	0.7
74.91808	0.7
79.31786	0.6
82.06577	7.1
84.08126	3.1
85.02911	1.5
90.62747	0.7
99.04441	1.1
106.06530	0.9
108.08105	4.7
121.06483	1.6
132.38106	0.7
150.79623	0.7
152.07021	5.0
170.08104	2.7
174.05534	5.7
268.00021	0.7
268.09634	43.5
278.95230	0.7
306.07535	1.7
321.08963	0.9
322.09470	57.2
333.08716	7.9
335.10098	2.8
347.10370	3.0
361.11655	11.9
430.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65497	0.4
61.29606	0.4
73.70028	0.4
75.04164	0.5
75.96961	0.4
95.04973	0.5
103.05470	2.6
107.04971	1.0
110.06115	0.5
116.05901	0.4
120.08102	100.0
130.88850	0.5
131.04929	2.9
147.04408	2.0
149.06006	2.7
166.08630	49.3
172.44316	0.5
208.11288	0.6
268.09741	0.7
376.13885	0.6
430.17145	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.274
Annotation	UK 78282
Peak:m/z	Relative Intensity
53.23020	0.8
55.05521	1.2
62.72439	0.9
66.39326	0.8
67.05499	5.2
69.07079	2.2
79.05478	3.7
81.07074	7.4
91.05487	21.1
93.07052	14.6
95.04980	1.0
95.08611	5.4
100.17210	0.9
105.07042	10.9
107.08624	9.9
109.10152	2.5
117.07005	4.7
119.08604	14.2
120.08129	12.5
120.08904	2.0
121.06474	1.8
121.10165	7.9
123.11717	1.3
129.06967	1.4
131.08554	4.3
133.10210	9.0
135.11710	10.7
143.08536	1.6
144.08072	4.4
145.10107	13.4
145.49611	1.1
147.11647	1.6
159.11691	2.5
161.13290	1.5
162.09134	1.8
163.11130	1.6
169.10135	2.3
171.11623	1.8
172.07574	16.9
173.13237	1.8
174.09137	1.8
175.09874	1.3
188.10815	1.3
189.11485	1.9
212.10574	1.3
223.14781	4.3
254.15372	2.0
264.13916	2.3
268.16965	2.1
269.35507	1.1
274.24582	1.2
280.16885	2.2
292.16922	1.4
391.06729	1.1
402.27805	6.7
430.27380	100.0
431.89694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2949
Annotation	Hippolide B
Peak:m/z	Relative Intensity
54.47509	1.1
54.71145	1.1
55.85106	1.1
57.07067	1.1
57.91975	1.2
64.62334	1.3
67.05504	1.8
69.07085	2.3
74.37085	1.3
81.07063	6.8
83.04962	1.8
83.08566	1.6
86.09725	2.4
90.10606	1.2
93.07014	1.9
95.08593	7.0
97.06548	1.9
105.07037	27.6
107.08609	8.7
109.10168	12.9
111.07987	1.4
119.08607	10.1
121.10136	7.5
123.08071	2.6
123.11687	3.0
125.06011	2.7
133.10110	2.9
135.31033	1.3
145.10165	1.6
147.11650	2.8
151.11220	1.8
154.08643	2.6
156.10207	44.5
157.10129	6.0
159.11710	14.7
161.13231	5.3
168.10168	27.6
173.13264	3.3
174.50449	1.5
175.14822	22.7
177.16420	8.8
182.08141	2.7
182.11769	9.0
185.13248	3.2
187.14809	1.9
196.13347	1.5
198.11314	5.5
200.09171	91.3
210.14871	6.2
227.18013	2.3
231.21025	1.9
239.17897	6.9
245.19043	2.6
256.26300	1.8
257.19003	2.5
271.17026	2.0
302.17920	1.4
302.21066	10.2
304.18860	1.6
340.22729	12.4
358.23685	17.7
369.22946	6.1
371.26025	1.7
384.28830	2.4
394.27261	16.9
412.28470	75.0
430.29517	100.0
430.38580	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3163
Annotation	hexadecanedioic acid mono-L-carnitine ester
Peak:m/z	Relative Intensity
55.05534	3.2
57.03442	1.9
57.07077	4.2
60.61650	1.6
67.05515	15.0
69.03430	1.8
69.07064	10.9
69.68757	1.7
70.79552	1.7
71.08636	3.9
71.94419	1.8
79.05496	18.0
81.07069	16.6
83.04947	2.9
83.08607	7.7
84.04038	2.6
84.04511	44.2
86.06109	1.9
91.60082	2.0
93.07032	13.8
94.03271	1.8
95.08600	19.1
97.06526	22.5
97.10168	3.5
98.06067	14.8
104.09346	1.9
107.08597	4.3
109.10145	9.5
110.06037	2.7
114.05550	4.6
119.08598	2.2
121.10121	12.5
123.11771	2.5
126.05515	51.4
130.05003	35.0
135.11700	7.5
138.05533	2.6
140.07109	2.8
142.05002	4.4
156.06523	13.7
168.06583	4.7
172.06033	17.9
265.25250	10.9
268.54712	1.9
302.57443	2.0
320.29520	7.9
336.28979	3.4
348.28897	8.9
364.28183	3.3
376.28400	12.4
394.29535	34.8
412.30609	100.0
430.19968	11.1
430.25879	2.2
430.31625	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.8
69.07058	0.7
79.05499	1.3
81.07051	4.1
91.05475	6.2
92.21525	0.9
95.04942	1.0
95.08623	5.6
96.88374	0.7
109.10133	0.9
119.04954	6.0
126.74485	0.8
132.09984	0.9
143.93796	0.8
151.07535	100.0
159.66786	0.8
168.10184	15.8
245.06328	1.1
321.15747	0.8
337.52277	0.9
430.33054	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15861	1.2
55.81714	1.4
70.72996	1.4
71.63431	1.4
75.74239	1.5
88.67124	1.8
89.72112	1.6
97.56798	2.2
121.06420	1.9
136.08820	7.0
137.09665	1.6
164.08311	43.3
165.09113	100.0
166.09433	2.5
177.09215	2.2
205.12195	7.4
383.86591	1.8
394.59863	1.7
398.53748	1.7
430.32153	3.4
430.37982	72.0
436.99890	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	5.2
65.33783	0.5
71.08621	6.5
73.02905	0.8
81.07056	1.4
123.11676	0.6
149.92497	0.6
157.12257	1.1
185.15358	100.0
218.10732	0.5
242.24902	0.6
252.77881	0.6
253.22633	0.6
264.94653	0.5
374.79169	0.5
430.38916	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	4.7
62.95260	0.4
64.47215	0.4
67.05470	0.5
71.08633	4.8
73.02909	0.7
81.07041	2.8
88.07613	0.6
99.24764	0.4
100.88626	0.4
114.42361	0.4
117.03696	0.4
122.08141	0.6
123.11636	0.7
141.12711	0.8
144.67586	0.4
157.12251	0.5
185.15358	100.0
287.35529	0.4
430.38892	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86319	0.6
56.54879	0.7
57.07076	5.0
65.94559	0.8
67.05511	1.3
71.08640	6.7
72.51582	0.8
73.02928	0.8
81.07077	2.6
85.21078	0.9
88.07660	0.9
95.11050	0.8
123.11695	0.8
157.12259	5.3
185.15356	100.0
223.15099	0.8
224.23872	0.8
242.24791	1.6
406.80316	0.9
430.38922	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59171	1.2
62.33699	1.1
65.03320	1.2
70.06579	1.5
72.08154	1.4
72.17806	1.3
72.37196	1.3
73.04578	1.3
85.02916	3.4
99.04461	11.5
115.93766	1.5
136.06174	5.4
189.01897	1.8
212.98415	3.3
231.02933	2.3
364.89117	1.5
414.08246	1.5
431.10611	100.0
431.16345	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42270	3.6
53.03948	23.3
56.50774	3.4
64.20240	4.8
69.03415	7.1
71.04991	4.9
73.02946	5.0
75.88842	4.6
78.48695	4.3
81.03423	54.1
87.85268	4.4
89.45408	4.6
97.02904	19.8
97.10173	7.6
99.04453	81.4
108.95027	5.2
109.02876	33.0
111.26247	4.3
116.73740	5.2
119.04945	18.3
127.03901	6.2
145.06448	7.0
147.04422	17.3
157.06497	9.2
165.07010	5.9
173.05981	21.0
175.03935	43.8
181.06499	7.8
185.06033	6.3
191.07091	5.7
199.07535	19.0
205.08710	6.6
207.06552	91.2
209.06079	4.8
211.07478	8.1
212.04692	6.3
213.05438	7.8
217.08543	7.3
219.06502	56.2
226.06296	7.2
227.06966	38.4
231.06488	49.6
233.04488	6.4
238.06232	5.8
240.04251	5.5
241.08543	9.9
243.08553	7.6
244.07455	5.6
245.08105	24.0
249.07631	10.8
254.05769	8.1
255.06517	20.4
256.07407	7.3
258.05237	6.1
259.09634	18.6
269.08011	6.0
271.09583	7.6
272.06647	8.3
273.07520	65.0
282.05112	7.1
287.09128	57.8
297.07516	16.7
315.08612	100.0
321.35428	5.2
333.09564	24.5
413.12061	6.6
415.13620	6.6
416.35406	5.4
431.13336	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
57.03442	2.1
65.03957	1.0
69.03452	2.2
70.06596	4.7
71.04974	0.9
72.08164	1.1
80.11661	1.0
81.03425	11.8
85.02911	19.3
86.09714	4.7
86.45708	1.1
97.02892	4.9
99.04458	100.0
103.03926	6.6
107.04987	1.5
109.02921	1.4
111.04456	4.0
117.05461	6.4
119.04919	1.0
121.06445	1.2
127.03912	1.3
129.10240	1.4
139.03914	17.9
149.44246	1.1
152.07033	1.6
152.65356	0.9
153.07370	1.1
163.03925	1.8
171.06509	16.6
175.03903	5.7
176.04263	4.8
177.05447	1.9
183.06595	1.5
183.20650	1.0
195.06525	1.8
201.07529	2.3
207.06520	10.8
208.06859	6.3
213.07567	1.9
233.08037	1.9
237.07593	6.7
243.67065	1.2
261.07562	6.3
261.10046	1.2
279.08633	6.9
311.69955	1.1
360.08655	1.3
426.45224	1.1
431.11786	7.6
431.25021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
56.22516	1.5
57.03445	4.0
57.07076	1.8
60.25108	1.5
61.15021	1.6
62.93881	1.5
67.05516	16.1
67.71386	2.4
69.07086	4.2
71.04992	2.6
77.96283	1.9
78.55984	1.8
79.05526	14.4
79.05914	1.7
81.07059	18.8
83.08620	4.2
90.36620	1.9
91.05482	23.3
93.07037	30.1
95.08610	15.4
97.06541	3.7
98.98471	100.0
98.99113	4.0
105.07044	25.8
107.08607	21.3
109.10156	8.5
117.07043	4.5
119.08583	39.2
121.10139	21.0
123.11708	2.1
129.05478	2.4
129.07024	2.6
131.08539	16.8
133.10138	33.3
135.11697	17.4
143.08528	4.0
145.10156	18.9
147.08069	2.2
147.11708	43.0
149.13272	12.0
152.48048	1.7
155.01041	2.8
157.10135	10.7
159.11717	16.0
161.13228	41.1
163.14851	3.6
171.11674	14.8
173.02121	22.1
173.13300	11.5
175.14828	27.6
185.13310	17.7
187.14807	3.0
193.04921	2.0
199.14787	8.8
213.16318	2.4
215.17969	3.4
217.19534	3.1
231.21111	3.1
241.19467	28.9
259.20560	86.7
315.23169	3.3
319.08612	3.0
320.09000	2.3
333.24194	52.1
334.10904	3.6
386.10239	3.2
413.20877	25.8
415.77469	2.0
431.13034	2.5
431.15891	3.6
431.21860	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79547	0.7
51.08686	0.6
53.03959	2.0
55.08193	0.6
61.50945	0.7
67.05511	1.3
69.03445	1.7
69.07070	1.1
71.05000	1.3
75.49487	0.8
81.03421	7.6
81.07076	1.3
85.02914	6.2
92.79694	0.8
93.07060	3.9
97.02892	3.4
99.04462	100.0
107.08588	4.5
109.02955	1.0
109.10165	57.4
117.05499	11.5
122.43050	0.7
127.03891	3.2
135.11710	11.7
145.04965	0.8
153.12747	29.5
162.29385	0.7
171.13805	25.3
243.08678	1.5
261.09702	6.7
275.59052	0.8
298.08307	0.7
315.18228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.24
Annotation	Phe Lys His
Peak:m/z	Relative Intensity
71.27243	0.8
71.51494	0.8
73.18623	0.9
79.61251	1.1
81.07028	1.0
83.19768	0.9
91.45943	1.1
95.08608	1.3
121.06516	1.4
122.06864	1.4
142.42984	1.0
163.21373	0.9
212.45810	1.0
280.48166	1.0
431.24051	100.0
431.31216	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2404
Annotation	Phe Lys His
Peak:m/z	Relative Intensity
54.95895	0.8
65.93621	0.9
67.05517	1.4
79.21510	0.8
81.07042	1.4
91.05507	1.0
94.85139	0.9
98.98457	1.0
102.82227	0.8
117.51985	0.8
119.08597	1.6
121.10133	0.9
135.11664	1.0
162.71654	0.8
201.08885	0.9
233.87627	0.9
235.24811	1.0
247.20959	1.0
303.16400	1.1
305.13608	4.0
331.15823	4.7
349.16959	5.9
367.17883	8.2
385.19000	4.3
395.21988	1.7
413.22961	5.2
431.24048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.7
57.03448	5.8
67.05511	7.3
69.07071	2.7
71.27186	0.6
79.05489	3.0
81.03423	0.8
81.07072	10.3
83.08606	1.2
91.05494	1.5
93.07027	3.0
95.08610	10.3
97.06535	1.1
107.08610	2.7
109.10172	5.7
113.00019	94.8
116.96394	0.6
119.08608	0.8
121.10136	1.3
121.18848	0.7
123.11675	0.9
133.10112	1.7
147.11662	1.5
151.14854	1.2
169.02600	100.0
245.22650	3.9
263.23737	9.3
316.19449	0.9
334.20447	4.5
369.21991	0.7
384.79288	0.7
387.23163	10.9
391.03827	0.7
429.92923	0.8
431.22275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83757	0.6
54.07756	0.7
55.48868	0.6
56.05056	0.8
57.07069	0.6
64.30008	0.6
69.07073	2.6
71.08693	0.7
78.48668	0.7
79.05501	2.7
81.07067	4.5
88.03986	3.6
88.07632	1.6
92.21516	1.0
96.08135	4.4
97.06535	6.0
98.09714	2.7
99.08095	2.6
100.07630	4.5
114.09232	1.2
122.08155	0.8
124.07570	3.3
125.05993	28.3
141.09128	11.1
142.08646	4.6
143.07059	4.5
154.12271	3.3
168.10196	100.0
169.08591	66.5
186.11249	64.2
242.24780	2.8
266.05524	0.6
318.05991	0.8
377.39902	0.8
383.32660	1.4
394.88092	0.8
431.34793	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83757	0.6
54.07756	0.7
55.48868	0.6
56.05056	0.8
57.07069	0.6
64.30008	0.6
69.07073	2.6
71.08693	0.7
78.48668	0.7
79.05501	2.7
81.07067	4.5
88.03986	3.6
88.07632	1.6
92.21516	1.0
96.08135	4.4
97.06535	6.0
98.09714	2.7
99.08095	2.6
100.07630	4.5
114.09232	1.2
122.08155	0.8
124.07570	3.3
125.05993	28.3
141.09128	11.1
142.08646	4.6
143.07059	4.5
154.12271	3.3
168.10196	100.0
169.08591	66.5
186.11249	64.2
242.24780	2.8
266.05524	0.6
318.05991	0.8
377.39902	0.8
383.32660	1.4
394.88092	0.8
431.34793	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70539	1.1
59.37594	1.1
61.67017	1.1
69.07073	3.1
70.36252	1.2
70.51452	1.1
75.23849	1.1
75.81923	1.1
76.69312	1.1
79.05473	1.8
81.07053	3.1
84.75196	1.1
88.04019	2.5
88.07637	2.2
96.08125	5.3
97.06540	2.2
97.23283	1.4
98.09715	1.6
100.07594	2.6
104.69450	1.2
111.11123	1.4
119.08567	1.6
124.07621	2.4
125.05996	27.9
133.06514	6.9
141.09119	7.5
142.08725	4.6
143.07030	4.5
148.26106	1.3
168.10196	100.0
169.08600	69.4
169.10048	2.3
186.11255	61.2
242.24681	2.2
275.98419	1.3
431.34842	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06271	0.7
55.05505	1.9
56.35099	0.8
57.07058	1.1
66.31047	0.9
67.05499	5.3
67.46699	0.9
69.07076	1.3
72.85256	0.8
73.02903	1.1
75.18819	0.8
77.36246	0.8
78.04698	0.9
79.05487	4.9
81.07059	3.8
83.08627	6.1
86.06027	0.9
92.65166	1.1
93.07047	4.8
97.10178	13.0
98.13109	0.9
99.04465	7.6
105.07048	1.2
107.08590	15.3
109.10155	4.1
124.11232	6.8
125.09636	16.4
135.08058	11.4
142.12297	10.3
152.10730	3.8
153.09140	6.0
164.59734	1.0
170.11736	27.5
171.10164	1.5
176.15930	0.9
177.06711	1.0
196.13333	1.7
197.11737	14.5
197.13429	1.4
214.14366	100.0
214.21864	1.1
306.47467	0.9
316.88782	1.0
386.31332	1.0
413.12021	5.5
431.13428	1.0
431.29324	3.6
431.34772	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85915	2.5
55.05513	13.3
57.03431	12.1
57.07077	19.7
62.08112	2.9
67.05515	33.9
69.07071	20.3
69.67404	2.4
71.04993	4.9
71.08622	20.6
79.05496	16.0
79.66405	2.7
80.65765	2.7
81.07066	66.5
83.08609	23.7
85.06563	5.3
85.10181	11.5
92.21541	3.4
93.07054	25.0
95.08611	83.1
97.10169	16.6
101.70047	2.9
105.07007	4.4
107.08607	19.1
109.10144	38.0
111.11694	3.5
119.08616	3.1
121.10168	32.7
123.11722	7.2
124.43239	2.9
131.08560	5.9
133.10136	6.7
135.11688	12.9
137.13290	7.1
147.11684	6.2
149.13275	6.1
155.14334	4.7
161.13245	3.9
173.46500	2.8
191.57785	3.0
201.14909	6.8
215.16368	3.5
359.32974	38.1
377.34164	100.0
395.35495	9.1
431.36200	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87390	1.3
56.94093	1.3
57.23737	1.2
60.71778	1.3
81.07037	1.8
91.05465	1.9
93.07074	2.2
94.07351	2.0
98.98447	9.3
104.65275	1.3
105.07045	1.8
107.08556	1.4
113.00571	1.4
119.08554	3.7
121.10159	1.5
130.23920	1.6
131.38139	1.4
133.10112	1.9
136.98759	1.4
161.13220	2.7
234.45175	1.7
242.19937	3.0
254.96152	1.7
260.20938	10.6
304.05792	1.9
304.27820	1.6
319.08295	2.6
334.10620	3.4
334.24634	12.3
336.11945	1.6
343.08304	3.5
354.07556	8.8
355.08545	1.9
358.07080	92.1
360.08405	3.2
361.08636	23.0
373.09222	2.1
374.06232	2.1
376.11029	3.2
388.08124	3.4
391.13440	27.9
399.07300	16.3
402.06055	27.0
432.10690	100.0
432.22592	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55132	0.4
94.38114	0.4
98.64336	0.4
135.04422	3.0
135.05264	0.3
144.04414	0.4
146.05927	0.4
149.05984	2.6
173.05962	1.8
174.05507	2.7
176.07057	9.8
185.05971	1.5
189.05492	0.5
201.05475	1.7
202.06311	0.4
204.05086	0.3
204.06548	14.5
213.05418	6.0
229.04913	8.9
241.04924	39.4
259.05930	0.6
268.45172	0.4
273.09140	0.8
292.06006	4.7
301.08600	0.7
303.10001	1.6
313.08517	1.7
319.08484	0.7
320.09174	6.8
328.09576	0.5
329.07928	0.5
330.11282	3.1
331.09421	2.8
334.10651	1.9
334.24121	0.4
341.07968	0.8
342.11435	0.4
343.08475	1.5
343.12326	0.5
345.10117	0.5
356.09058	3.0
358.06906	0.6
358.10846	3.0
359.09033	0.7
360.12274	2.6
361.10577	1.5
362.07816	0.5
371.11548	16.3
372.08603	1.7
373.09457	10.9
376.11581	0.7
384.08640	2.3
386.10272	1.6
388.11780	7.8
398.13458	0.5
414.09503	3.7
415.10501	4.2
423.10156	0.7
432.10739	100.0
432.16937	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28414	0.7
70.66315	0.8
72.92275	0.7
75.93578	0.7
78.69079	0.8
89.44697	0.8
121.06449	1.1
135.04408	2.0
149.05974	1.9
155.24109	0.8
173.05937	1.5
174.05502	1.9
176.07094	9.5
179.51457	0.9
191.84920	0.9
201.05461	1.6
204.06557	11.6
206.45175	0.9
213.05426	4.5
218.68997	0.9
223.97569	0.9
229.04971	7.5
241.04930	38.2
292.05963	4.2
292.09207	1.3
319.08542	1.9
320.09140	50.8
330.11163	1.6
334.10638	4.2
341.08221	1.2
343.08368	1.5
356.09119	4.5
358.06650	1.1
358.10840	1.6
359.09467	1.2
362.07922	1.1
371.11676	10.9
373.09442	12.1
384.08597	1.4
386.10101	1.9
388.11893	5.9
409.11099	1.1
414.09665	4.7
415.10452	4.0
423.10001	3.6
432.10672	100.0
432.17746	19.5
432.34912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.87226	0.3
54.58276	0.3
56.98074	0.3
58.09032	0.3
74.01578	0.6
81.04729	0.3
114.13061	0.4
139.05444	0.4
140.04901	0.5
143.00713	0.4
150.04559	0.6
152.06178	0.8
163.05373	0.6
164.06105	0.4
165.05621	0.4
176.06197	0.4
178.06512	1.4
179.07236	0.5
190.06514	1.4
191.07231	1.8
192.07899	0.6
203.07152	0.4
204.08089	0.8
207.06766	0.5
208.07504	2.2
219.06627	0.5
220.07541	1.9
221.08414	0.5
222.05429	0.7
222.09261	0.4
232.07527	0.4
235.06140	0.4
236.07028	6.3
237.07715	3.9
249.07678	0.4
265.07300	5.5
266.07715	1.3
273.07709	0.4
276.06509	0.8
278.08154	0.5
279.08865	1.9
280.09668	2.8
290.08063	9.1
291.08786	0.4
294.11017	1.4
302.08066	3.4
304.05997	9.4
305.06870	0.4
307.08340	0.6
308.08954	0.6
318.07559	13.7
319.08368	51.2
320.09143	0.4
322.10782	1.4
323.11258	0.4
334.10712	100.0
432.14398	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71090	0.7
53.51574	0.6
54.73017	0.8
55.88101	0.7
63.02383	1.7
64.10060	0.7
74.01572	1.7
75.02348	1.1
76.48608	0.7
87.02395	0.7
100.28267	0.9
113.03931	0.9
123.95130	0.8
135.35242	0.9
138.04518	1.0
148.92534	0.8
153.31763	0.8
163.05420	3.1
190.06525	1.3
191.07228	4.5
204.08022	1.5
205.05246	1.1
207.06781	0.9
220.07625	1.6
234.05563	0.9
263.05893	1.1
274.78510	1.0
278.08176	5.2
279.08350	1.4
290.08054	9.4
302.07932	1.2
304.05975	8.2
304.09085	1.2
318.07495	13.3
319.08371	48.2
320.09430	1.1
321.09845	1.2
334.10712	100.0
432.14380	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78409	0.4
73.15361	0.4
105.65906	0.4
105.73698	0.5
112.07056	0.5
112.28091	0.4
121.10307	0.4
139.05382	0.5
147.45805	0.4
150.04614	0.7
164.04904	0.4
169.06499	0.5
178.06496	0.6
179.10970	0.5
180.08138	0.5
188.05304	0.4
191.07347	1.9
192.08096	0.6
204.08093	1.0
220.07483	0.9
221.08273	0.4
233.08095	0.8
234.09122	0.5
236.07036	2.8
237.07782	2.0
262.08606	0.8
263.09167	0.5
265.07330	2.0
276.06351	1.4
279.08942	0.7
280.09653	0.6
290.08121	9.8
302.08282	3.4
304.06003	7.9
318.07571	12.1
319.08392	48.1
321.09598	0.7
334.10733	100.0
432.14423	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15155	0.6
51.67966	0.6
74.01573	0.8
75.02370	1.3
89.03910	0.8
94.48507	0.7
139.05424	1.3
150.04694	1.2
152.05037	0.9
152.06154	2.6
163.05476	1.5
165.05765	1.0
165.07085	0.9
169.06555	0.8
175.49545	0.7
178.06511	2.9
179.06996	0.8
179.24069	0.9
180.08099	1.0
190.06520	3.9
191.07330	7.0
204.08133	1.5
207.06805	1.8
208.07539	4.1
219.06859	1.7
220.07645	3.8
222.05487	1.2
222.09200	1.1
232.07397	1.1
233.08427	1.1
234.32494	0.7
234.73170	0.9
236.07010	15.4
237.07733	9.3
248.07091	1.0
250.08727	2.8
251.09244	1.3
265.07370	13.6
266.07706	1.4
276.06677	1.4
278.08087	1.3
279.08951	4.6
280.09683	7.0
290.08081	9.8
294.11139	1.5
302.07916	1.6
304.05978	7.2
305.06763	1.0
307.08420	1.7
308.09070	1.5
314.93890	0.8
318.07632	11.2
319.04633	1.6
319.08365	52.4
322.10736	4.8
323.11389	1.4
334.10721	100.0
432.14459	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74076	0.2
52.84946	0.3
62.01590	0.3
63.02364	0.5
66.73010	0.2
89.03913	0.3
92.60155	0.2
95.75880	0.2
102.37289	0.2
104.14075	0.3
113.03834	0.4
115.01534	0.2
117.27140	0.2
139.05486	0.5
149.02417	0.2
150.04620	0.3
152.06189	0.4
163.05450	0.3
164.06349	0.3
165.05785	0.3
166.95113	0.3
178.06519	1.3
180.08119	0.4
180.89113	0.3
185.43970	0.3
186.11166	0.3
190.06506	0.3
191.07227	1.2
192.08121	0.3
204.07982	0.5
207.06740	0.4
208.07558	1.2
219.06828	1.2
220.07593	0.5
221.08102	0.3
222.09001	0.4
235.06409	0.4
236.07014	5.4
237.07806	2.9
250.08546	0.6
265.07358	3.3
266.07718	0.4
276.06580	1.1
278.08264	0.8
279.08920	1.3
280.09637	1.4
290.08102	8.3
294.11423	0.3
302.08179	2.8
304.06033	7.9
305.06961	0.3
307.08331	0.6
308.08896	0.4
316.06213	0.3
318.07581	10.3
318.11136	0.5
319.08392	51.3
322.10840	1.3
323.11200	0.5
334.10733	100.0
346.77280	0.3
363.89273	0.3
432.14429	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64214	0.4
51.57037	0.6
52.33316	0.5
59.33661	0.4
63.02317	0.5
72.78415	0.6
75.02365	0.8
87.02354	0.8
99.51261	0.6
113.03842	0.5
124.29531	0.5
139.05411	0.6
152.06268	0.7
163.05449	2.0
172.43448	0.5
178.06474	2.2
189.05670	0.6
190.06502	1.9
191.07260	2.7
192.07935	0.7
204.08035	0.5
206.06097	0.9
207.06708	0.7
208.07527	1.3
219.06982	0.5
220.07527	2.3
222.09125	0.8
235.06319	1.1
236.07037	9.0
237.07774	4.3
250.08511	0.9
251.09177	0.6
262.08521	0.9
265.07275	6.7
266.07574	0.9
276.06604	2.8
279.08847	2.0
280.09714	4.3
290.08109	11.6
302.08185	2.4
304.05981	10.2
307.08298	0.9
308.09079	0.8
318.07581	12.8
319.08380	51.9
322.10730	1.0
323.11334	0.7
334.10721	100.0
372.41412	0.6
432.14398	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74606	0.2
55.63763	0.3
57.48254	0.2
150.04640	0.7
153.47829	0.3
191.07167	2.0
203.07141	0.4
204.08017	1.8
205.08508	0.5
220.07564	0.5
232.93414	0.4
233.08174	0.4
262.08578	0.5
290.08151	8.7
292.09714	0.6
302.08179	2.3
304.06024	9.0
310.68887	0.3
318.07556	11.4
319.08380	46.9
320.09146	1.4
321.09717	0.5
334.10715	100.0
432.14413	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58432	0.4
51.72046	0.5
51.87653	0.4
58.28678	0.5
60.65157	0.6
62.67589	0.5
63.02383	0.7
72.31423	0.5
74.01582	1.0
89.03915	0.8
99.22147	0.6
149.03937	0.6
150.04709	0.9
151.29044	0.7
163.05400	1.5
164.04922	0.6
165.07007	0.6
177.05655	0.9
178.06424	0.6
184.22916	0.6
187.53117	0.7
189.05736	0.8
190.06496	2.1
191.07301	5.2
192.07758	1.0
204.08270	0.6
205.05107	0.8
219.06775	0.7
220.07442	1.1
232.26974	0.6
235.06406	0.7
248.07074	1.1
263.05774	2.2
276.06662	1.1
278.08151	5.3
279.08444	2.9
290.08014	8.4
292.09647	1.3
302.08173	2.7
304.06064	8.2
318.07617	12.9
319.08389	50.4
320.08997	0.9
321.09845	0.8
334.10724	100.0
432.14444	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.3
66.99534	0.2
75.02351	0.3
79.90276	0.2
129.23604	0.2
134.50630	0.2
141.03696	0.2
154.29773	0.2
163.05376	1.0
177.05528	0.3
190.06439	0.9
191.07253	2.0
192.07629	0.3
202.06438	0.4
204.08096	0.3
219.06760	0.5
220.07578	0.4
221.08037	0.4
248.06883	0.3
263.05783	0.9
276.06592	1.0
278.08142	1.9
279.08374	0.4
290.08087	8.3
292.09872	0.5
302.08069	2.3
304.06018	8.6
304.09161	0.5
318.07587	10.6
319.08380	48.7
320.08963	0.4
321.09515	0.4
334.10721	100.0
377.02640	0.3
432.14395	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02227	0.2
55.66404	0.2
57.95926	0.2
63.82049	0.2
75.64068	0.3
87.29527	0.2
87.58179	0.2
89.03925	0.3
141.22980	0.2
145.10100	0.5
150.04723	0.3
163.05423	0.9
164.06107	0.3
177.05653	0.3
190.06480	1.1
191.07245	1.4
192.07703	0.4
204.08093	0.4
206.05629	0.4
217.12199	0.3
219.06839	0.3
220.07451	0.5
235.06468	0.3
235.13269	1.0
263.05829	0.3
264.06171	0.3
276.06567	0.4
278.08203	1.7
279.08542	1.0
290.08081	9.1
290.11325	0.3
302.08145	2.7
304.06015	8.6
318.07587	11.2
319.08386	51.7
320.09299	0.5
334.10715	100.0
432.14404	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23032	0.6
56.03367	0.5
63.02381	0.8
75.02377	0.7
87.12013	0.6
89.00011	0.6
97.25465	0.6
127.42253	0.7
139.05470	2.6
150.04665	0.9
152.06207	1.4
163.05453	1.6
169.06401	0.8
178.06480	2.5
180.08112	1.5
183.31458	0.6
184.02783	0.7
184.22427	0.6
190.06523	2.8
191.07323	3.2
207.06721	1.1
208.07564	2.8
219.06866	1.1
220.07552	3.4
222.09039	0.8
236.07037	11.5
237.07765	5.7
250.08621	2.6
262.08643	1.0
263.09189	0.8
265.07367	7.9
266.07593	1.3
276.06537	1.4
278.07980	0.7
279.08853	1.5
280.09668	4.3
290.08081	8.9
294.11316	2.7
302.08212	3.8
304.06085	9.8
307.08456	1.2
318.07626	13.7
319.08398	58.7
322.10901	3.6
323.11276	0.9
334.10742	100.0
432.14438	67.0
441.65475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03043	0.3
51.21734	0.4
51.80536	0.4
54.97654	0.3
61.49030	0.4
68.74138	0.5
120.75237	0.4
121.06548	0.6
128.07094	0.5
136.63701	0.4
141.05240	0.5
144.53752	0.5
146.08081	0.7
158.44133	0.5
162.29974	0.4
290.08206	0.7
304.05872	0.8
305.10510	3.5
306.11392	0.8
306.14841	0.5
313.10770	0.5
318.07648	0.7
319.08319	2.9
319.12030	2.1
320.09146	1.0
328.09674	2.0
329.10437	0.8
330.11325	5.8
331.12311	0.6
334.10785	6.4
337.09357	1.8
343.11954	2.6
344.12784	5.0
356.09085	2.0
356.12915	0.7
358.10767	13.1
360.12271	0.6
372.12119	0.6
374.10220	20.0
387.10965	1.0
388.11859	12.1
389.12582	2.0
402.09576	7.2
416.11108	5.5
417.12115	3.3
432.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30319	1.9
58.06611	5.5
59.72503	1.8
70.06605	2.7
70.43765	2.2
71.53384	2.1
84.08138	10.7
125.66307	2.7
130.72624	2.8
147.04417	14.3
214.08618	14.5
229.10971	35.7
239.70299	2.8
252.10175	5.7
266.04401	2.4
266.07950	3.2
266.11789	3.3
280.09677	62.8
281.10461	35.2
282.11221	10.7
292.09753	9.1
294.07767	5.2
295.11984	4.1
296.12814	86.8
297.13376	2.9
308.09100	15.2
309.09943	21.0
322.10638	3.3
324.12265	64.6
327.11011	3.5
334.10855	4.0
339.11188	4.9
340.11594	5.8
350.10193	3.2
351.11115	40.4
354.13306	52.9
356.14886	34.6
368.11298	3.1
382.12888	100.0
400.13873	56.3
432.17111	56.8
432.26016	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03891	0.3
57.88691	0.3
58.06609	0.4
85.02883	0.4
86.09664	0.5
101.30551	0.3
107.04942	0.4
134.08568	0.4
156.73122	0.4
181.08986	0.3
214.69849	0.3
250.55757	0.4
270.11230	100.0
299.56155	0.5
347.23416	0.3
403.32556	0.4
432.16531	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03891	0.3
57.88691	0.3
58.06609	0.4
85.02883	0.4
86.09664	0.5
101.30551	0.3
107.04942	0.4
134.08568	0.4
156.73122	0.4
181.08986	0.3
214.69849	0.3
250.55757	0.4
270.11230	100.0
299.56155	0.5
347.23416	0.3
403.32556	0.4
432.16531	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97419	0.2
65.29233	0.3
66.65611	0.2
68.07619	0.3
76.63974	0.3
94.63996	0.2
140.21602	0.3
270.11215	100.0
424.32095	0.3
432.16513	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48381	0.3
55.62162	0.2
73.05702	0.3
74.14615	0.2
80.27521	0.3
84.31934	0.2
100.19849	0.3
105.27715	0.3
114.41216	0.3
151.25885	0.3
174.51680	0.3
239.71317	0.3
290.08041	1.3
292.09644	3.1
304.06134	0.5
318.07648	0.6
319.08447	3.0
320.09167	100.0
334.10794	6.5
403.11960	0.4
432.18265	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36549	0.6
56.77950	0.7
73.02908	0.7
90.81767	0.7
107.04957	52.9
115.05473	1.6
121.06509	4.1
130.94545	0.6
137.05997	7.3
142.49243	0.7
143.04930	13.1
145.06516	6.9
163.07475	0.8
174.09137	0.8
175.07558	7.9
180.10178	3.1
189.17598	0.8
192.10172	10.4
206.11751	1.2
209.09615	1.7
213.51625	0.8
215.08885	0.9
237.09004	7.4
269.11707	29.8
271.13135	2.8
300.15930	100.0
342.28842	0.8
432.20181	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2016
Annotation	Latericine
Peak:m/z	Relative Intensity
54.02203	1.1
58.06619	1.4
58.56994	1.0
70.06585	1.7
70.45818	1.0
70.77916	0.9
71.05560	1.0
73.02933	1.1
73.77216	1.0
81.03441	2.4
85.02924	4.2
86.09717	1.7
97.02930	1.6
99.04465	25.4
107.04957	47.3
109.02924	1.2
115.05422	1.6
117.05553	6.0
121.06539	5.8
137.06026	8.0
143.04938	12.4
145.06538	6.6
147.04425	4.2
175.07602	6.5
180.10300	1.6
192.10251	10.6
209.09665	2.5
237.09195	6.4
252.06572	2.4
253.10588	1.2
261.10019	1.3
269.11749	27.2
270.07761	2.0
300.15942	100.0
392.11389	1.2
432.20355	76.1
432.26294	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02203	1.1
58.06619	1.4
58.56994	1.0
70.06585	1.7
70.45818	1.0
70.77916	0.9
71.05560	1.0
73.02933	1.1
73.77216	1.0
81.03441	2.4
85.02924	4.2
86.09717	1.7
97.02930	1.6
99.04465	25.4
107.04957	47.3
109.02924	1.2
115.05422	1.6
117.05553	6.0
121.06539	5.8
137.06026	8.0
143.04938	12.4
145.06538	6.6
147.04425	4.2
175.07602	6.5
180.10300	1.6
192.10251	10.6
209.09665	2.5
237.09195	6.4
252.06572	2.4
253.10588	1.2
261.10019	1.3
269.11749	27.2
270.07761	2.0
300.15942	100.0
392.11389	1.2
432.20355	76.1
432.26294	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2169
Annotation	Glu Gln Arg
Peak:m/z	Relative Intensity
52.37251	0.2
61.15307	0.2
71.35176	0.2
98.24088	0.3
101.36752	0.2
157.92128	0.3
185.74210	0.3
227.53357	0.3
290.07983	0.5
304.09583	0.5
305.10410	0.4
318.07596	8.0
332.09207	3.6
333.09906	7.9
391.21539	2.4
404.22366	1.5
409.22552	1.4
432.21701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.217
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05279	0.6
87.30291	0.5
99.71622	0.4
153.99525	0.4
154.67889	0.5
220.97040	0.5
235.41998	0.5
318.07648	6.2
332.09195	2.7
333.09946	7.7
344.39261	0.5
404.22116	2.2
432.21707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06725	0.3
63.41171	0.3
66.54185	0.3
89.22414	0.3
119.08568	0.4
124.95654	0.3
148.89725	0.4
305.10406	0.6
318.07602	6.6
320.08743	0.4
332.09155	3.3
333.09967	7.3
386.55814	0.4
404.22314	1.8
432.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41372	0.4
69.07078	0.6
85.50517	0.5
86.09756	0.5
87.00706	0.5
89.43389	0.5
94.68121	0.4
103.05466	2.4
107.04940	0.7
110.22433	0.4
120.08105	100.0
121.08430	0.6
131.04929	2.6
149.05971	3.0
166.08629	46.9
173.38162	0.5
212.43312	0.5
285.14468	0.6
414.17242	0.7
432.17978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2897
Annotation	Proxiphomin
Peak:m/z	Relative Intensity
55.05521	18.5
58.86421	3.5
62.62783	3.3
67.05508	33.3
69.07066	8.9
79.05484	9.8
81.07063	25.2
83.08619	7.6
84.32978	4.2
86.00717	3.8
91.05486	100.0
91.06017	7.2
92.21553	4.8
93.07035	22.6
95.08620	44.0
97.63996	3.7
102.51719	3.6
105.07022	28.2
107.08620	50.5
109.10149	50.4
109.82833	4.5
119.08581	21.3
120.08083	3.9
121.10146	24.1
122.02370	9.5
123.11701	6.7
129.06985	8.1
131.08578	6.1
133.10144	17.7
134.09662	4.7
135.11716	5.7
143.10692	37.3
144.08061	5.1
145.10126	9.2
147.11682	26.3
149.13242	6.0
157.06432	4.8
159.11673	5.1
161.13266	19.5
171.11667	9.6
172.07608	49.5
173.13385	4.5
174.09131	6.2
200.07065	75.2
212.19820	4.2
216.10318	4.5
217.19496	20.0
238.12199	5.1
241.19530	9.0
259.20459	5.3
332.19995	6.8
344.20203	9.3
362.21057	22.3
414.27963	43.6
432.28763	68.7
432.34583	4.6
432.36514	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82434	0.2
54.62215	0.2
57.03438	0.3
57.07084	2.6
59.27638	0.2
60.12234	0.2
63.32783	0.2
67.05495	1.7
69.03428	2.1
69.07048	0.4
71.08624	3.1
76.10633	0.3
81.07056	2.1
83.04977	0.7
85.02899	0.4
87.04446	0.4
91.05463	0.4
93.07033	0.6
95.08588	1.3
107.08578	5.2
109.10115	0.4
111.04391	0.4
112.25257	0.2
119.03509	0.3
119.08576	24.7
123.07988	0.4
129.05466	0.7
133.06512	0.4
135.08054	8.7
136.06183	100.0
141.12717	0.7
147.63371	0.3
168.10153	2.4
169.08617	1.2
169.10553	0.4
170.08981	0.6
183.13753	0.4
186.11267	1.4
187.11568	0.4
215.12743	0.3
221.21094	0.3
227.14299	0.3
281.13962	0.5
323.11624	0.4
415.20993	2.6
432.29700	42.3
432.34927	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2964
Annotation	Fumifungin
Peak:m/z	Relative Intensity
55.05510	0.8
57.45891	0.3
63.22901	0.3
63.93015	0.4
67.05509	1.5
69.07062	2.0
79.05484	0.5
81.07037	1.6
83.08606	1.4
86.06048	0.4
87.56133	0.3
87.79101	0.3
88.03986	0.6
89.53934	0.3
93.07046	0.6
95.08588	2.1
97.06477	0.3
97.10149	1.7
102.05565	0.6
107.08601	0.6
109.10155	2.2
125.09627	0.5
129.90921	0.5
130.05019	0.6
132.06540	0.4
133.10097	0.5
135.08064	0.5
135.11684	0.9
136.06180	100.0
139.36356	0.4
143.82434	0.4
153.12756	0.9
155.66566	0.4
161.38582	0.4
176.05528	0.7
184.06235	0.4
192.45850	0.3
269.57578	0.4
292.09659	0.6
320.09290	0.5
321.10065	0.5
414.27618	0.8
432.21979	3.2
432.29648	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25587	0.4
53.62630	0.4
53.97480	0.3
55.05513	0.3
65.43562	0.4
67.05489	0.3
67.20924	0.3
69.07072	11.4
73.06552	1.9
79.05496	0.8
81.07070	0.7
86.62103	0.4
87.04449	0.6
88.07639	0.8
88.38601	0.4
89.02361	0.7
97.06535	5.3
99.04427	0.8
99.08089	1.9
115.07573	1.7
125.06004	6.5
141.09103	3.1
143.07040	14.6
145.04956	0.5
169.08591	10.6
171.13777	2.4
175.23799	0.4
187.09653	100.0
242.24738	1.9
365.55215	0.4
412.12378	0.4
432.33154	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
69.06756	0.5
69.07075	10.5
73.02909	0.5
73.06544	0.6
79.05483	1.8
79.15819	0.3
81.07043	1.5
87.04453	0.6
88.07607	1.8
89.02385	0.7
92.21126	1.5
97.06525	5.7
99.04470	0.7
99.08076	0.9
101.06009	0.4
102.18262	0.4
115.07570	2.4
119.08564	0.8
122.08126	0.7
125.06002	7.7
135.08043	0.4
141.09100	2.7
143.07047	14.6
169.08582	9.9
171.13811	3.4
171.70634	0.4
180.22588	0.3
187.09654	100.0
242.24789	0.8
290.27005	0.4
337.19269	0.4
414.35526	0.6
432.33160	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06871	0.3
53.67789	0.3
57.07083	0.6
58.91012	0.3
69.07058	0.9
81.07054	0.9
83.08611	0.5
88.07607	0.6
95.08608	0.6
107.08649	0.5
114.06406	0.4
119.08582	1.8
136.06192	26.0
152.07095	0.5
160.42804	0.4
170.08092	5.3
171.13811	0.8
242.24826	0.9
297.90640	0.4
364.87759	0.4
432.33279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72341	2.0
61.36285	2.3
61.57259	2.2
66.58449	2.4
66.89471	2.2
74.38867	2.2
76.66171	2.4
133.87451	2.4
171.31165	2.5
245.32784	2.6
254.95016	2.6
302.24530	83.7
330.27679	19.6
432.34442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64911	1.0
59.25516	1.0
84.94230	1.2
98.97586	43.2
100.32561	1.4
109.42192	1.4
111.34612	1.2
116.98621	24.8
134.99649	7.8
214.95354	1.6
232.96445	6.2
244.81902	1.3
250.97507	1.8
256.96417	23.3
259.00104	1.3
269.82748	1.3
274.97498	100.0
292.98553	77.4
403.93265	2.0
414.95343	20.5
432.96463	33.2
450.97278	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Galanginin
Peak:m/z	Relative Intensity
53.57049	0.1
53.73026	0.2
54.96756	0.1
55.89130	0.1
56.42880	0.1
62.47523	0.1
62.78695	0.1
73.81564	0.1
101.81430	0.1
116.45853	0.1
148.59445	0.2
153.01816	0.4
153.37015	0.2
164.05867	0.2
191.07291	0.2
200.90562	0.1
271.06003	100.0
273.82333	0.2
301.34982	0.1
354.44473	0.2
419.15308	0.2
433.11249	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46959	0.8
60.16134	0.9
61.99852	0.8
65.71399	0.8
69.03413	1.0
89.89712	0.8
99.04455	4.0
104.43991	1.0
118.75293	1.0
121.06470	1.2
216.87912	1.0
224.07004	18.3
225.05721	1.6
225.07816	19.2
226.08569	1.4
228.06535	1.6
254.08255	3.3
257.06818	19.3
269.09189	10.0
281.09378	1.4
296.05530	90.7
304.18857	1.2
357.45108	0.9
389.14954	100.0
433.13916	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93803	0.8
56.40663	0.8
58.06586	6.3
66.14788	1.0
82.41959	1.0
83.80699	1.1
88.04010	1.2
113.51069	1.1
115.97575	1.0
117.86237	1.4
119.15490	1.1
133.99347	0.9
143.20105	1.2
150.06728	5.3
151.07544	10.8
178.10811	1.0
184.04408	1.1
184.94006	1.1
211.45438	1.1
233.05409	1.2
284.12677	2.4
298.10733	18.2
312.12347	3.6
313.13083	8.7
325.16507	1.4
330.07889	6.5
331.08710	33.6
344.09488	1.7
346.11081	100.0
372.33490	1.2
388.12195	1.6
405.85782	1.0
416.11343	1.4
433.14160	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93803	0.8
56.40663	0.8
58.06586	6.3
66.14788	1.0
82.41959	1.0
83.80699	1.1
88.04010	1.2
113.51069	1.1
115.97575	1.0
117.86237	1.4
119.15490	1.1
133.99347	0.9
143.20105	1.2
150.06728	5.3
151.07544	10.8
178.10811	1.0
184.04408	1.1
184.94006	1.1
211.45438	1.1
233.05409	1.2
284.12677	2.4
298.10733	18.2
312.12347	3.6
313.13083	8.7
325.16507	1.4
330.07889	6.5
331.08710	33.6
344.09488	1.7
346.11081	100.0
372.33490	1.2
388.12195	1.6
405.85782	1.0
416.11343	1.4
433.14160	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.149
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
69.03435	18.8
71.05001	42.0
85.02908	49.7
104.51588	3.2
107.52039	3.9
109.02934	4.7
118.38000	4.4
123.05561	38.5
129.05435	4.8
129.29033	3.8
135.04417	27.9
142.90770	4.1
143.60829	4.8
153.01852	37.5
161.06003	28.2
165.01831	28.9
177.01868	4.7
179.03384	4.9
183.02852	6.3
188.42319	3.9
191.03421	8.2
195.02898	100.0
203.03419	15.9
217.05025	8.5
219.02878	36.0
221.04489	5.1
245.04442	71.7
263.05533	65.6
281.06488	8.4
287.09106	33.2
294.40155	4.2
329.10168	18.4
334.10626	4.9
335.10962	16.1
353.10504	11.7
379.11658	6.4
381.17358	4.4
397.12845	46.7
415.13770	9.1
416.84357	5.0
433.14676	27.2
433.26743	5.7
454.68085	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88227	0.5
66.06470	0.6
76.61473	0.6
84.43005	0.6
86.09739	0.7
158.10429	0.6
169.77246	0.6
194.50710	0.7
287.11008	12.8
298.10858	0.7
325.11426	0.7
331.08765	0.7
346.11115	3.6
433.16840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1704
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.03964	1.1
54.61671	0.7
67.09229	0.7
69.03427	4.2
70.06621	0.8
79.05495	16.5
81.03427	4.4
81.07063	74.3
83.04985	3.9
85.02911	9.3
91.21193	0.7
97.02888	7.6
99.04469	1.7
109.02877	8.9
125.05994	100.0
127.03930	12.2
138.74011	0.8
145.05000	1.1
153.05466	77.9
171.06529	25.2
193.88031	1.2
213.07635	1.7
279.08615	6.7
297.09692	15.6
315.10736	26.1
393.48416	0.9
397.14520	1.0
433.21802	1.0
434.87631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87367	0.2
73.20538	0.2
95.23183	0.3
161.36993	0.3
172.05884	0.2
227.86546	0.3
275.09375	0.4
292.09656	10.5
304.09738	2.3
306.07614	4.0
320.09171	13.1
321.09958	29.1
322.10699	1.1
335.10992	0.4
336.12296	100.0
433.14520	1.6
442.86996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74564	0.3
57.07074	1.7
61.43699	0.4
65.07140	0.4
67.05503	0.6
71.08619	1.0
81.07066	0.4
91.05463	3.0
95.08617	0.6
100.52325	0.5
107.08544	1.6
115.86744	0.5
116.98488	0.6
119.08578	100.0
120.96654	0.7
131.00021	1.7
133.06517	0.7
135.08055	0.5
139.00539	0.5
140.98389	0.7
143.00018	0.7
145.01595	0.9
154.12300	0.8
154.99998	0.7
157.01605	3.6
162.59851	0.4
167.03632	0.8
169.01590	0.8
170.99484	1.5
171.03125	0.6
171.14980	0.6
174.99011	2.4
181.01721	0.5
181.05185	0.6
185.01125	2.0
189.00562	4.0
195.00224	0.9
197.01172	0.6
198.01915	0.6
199.02670	0.9
201.00523	0.6
203.02077	1.7
211.02763	0.8
213.04584	0.5
215.02133	0.4
229.03697	0.8
229.07439	0.8
237.07822	2.0
241.07399	0.7
243.08771	0.5
255.08923	2.8
313.27393	1.0
333.87411	0.5
351.14630	17.5
354.09827	0.5
369.15662	4.8
387.16904	0.7
392.17700	0.5
433.17618	2.6
433.23230	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47371	0.6
56.05029	0.9
57.23082	0.8
58.06610	14.5
59.45980	0.7
70.06606	1.6
72.08157	4.8
73.64558	0.7
74.06068	2.0
79.40984	0.7
84.04518	6.0
84.08159	1.2
85.02916	1.1
86.09712	100.0
102.05551	35.0
107.84399	0.9
110.06037	1.4
120.06599	6.8
128.07074	1.2
129.10294	1.3
130.05008	2.0
130.08646	0.9
136.07489	0.8
138.05487	1.0
151.07568	1.4
152.07057	0.8
155.08160	13.1
156.06558	0.8
173.09221	45.5
197.12794	3.2
199.06161	0.9
199.73842	0.9
201.08713	30.0
206.49677	0.9
215.13933	9.8
233.14940	25.1
253.12035	9.3
269.08047	1.4
275.20172	1.0
284.10452	6.4
286.17612	1.7
295.19485	0.9
298.10562	1.0
314.17142	18.3
331.08728	3.9
346.11038	10.6
415.21890	11.1
433.14050	12.6
433.23346	7.2
448.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25034	0.7
55.05517	1.2
56.34652	0.6
57.07077	10.4
64.69595	0.7
67.05509	1.4
69.07047	1.1
71.08630	6.6
74.54848	0.8
81.07059	3.2
83.08615	2.7
85.10172	5.0
89.06035	0.9
89.28988	0.7
95.08604	4.5
97.10213	0.7
107.08620	0.8
109.10149	1.4
119.08567	0.9
120.96629	6.7
121.06445	5.9
123.11719	0.9
134.86252	0.7
154.12283	3.1
169.77446	0.7
171.14888	0.7
172.01170	0.8
176.99261	1.2
195.00279	7.2
195.01814	0.8
208.62308	0.7
220.65225	0.8
228.25896	0.8
239.23598	0.9
254.81110	0.7
271.09677	2.9
307.59286	0.8
313.27371	12.0
335.25928	0.9
363.27441	0.9
415.21991	1.6
433.23257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87156	0.7
55.05519	1.5
55.38976	0.7
57.03449	1.7
57.06878	0.6
57.07089	9.4
59.07463	0.7
63.99220	0.8
64.42352	0.7
67.05508	1.4
69.07076	0.8
71.08629	9.3
81.07040	4.9
83.08629	1.5
85.10178	3.5
85.20524	0.7
95.08588	6.3
96.59136	0.7
98.05381	0.8
104.06416	0.8
104.80216	0.9
109.10130	5.9
119.08625	1.3
120.96630	6.5
121.10120	1.1
127.32647	0.9
154.12305	3.2
162.05339	1.0
176.99193	1.0
195.00252	6.6
261.22028	1.2
313.27368	14.6
335.25766	1.5
375.70422	1.0
380.81790	1.1
401.60275	0.9
410.24176	0.9
415.22119	4.2
433.23242	100.0
433.32477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01601	0.6
57.03448	0.9
57.07081	9.5
59.91036	0.6
62.25346	0.6
62.92973	0.7
67.05499	1.6
71.08633	7.1
75.53185	0.6
77.56744	0.6
81.07066	3.5
82.64571	0.7
83.08614	1.4
85.10200	5.4
95.08611	3.9
109.10161	3.6
120.96624	5.4
123.11720	0.9
176.99298	1.0
195.00284	7.4
195.39464	0.8
274.87308	0.8
313.27307	11.3
335.25766	1.2
415.22226	3.1
433.23270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82647	2.6
53.25672	2.8
55.05515	6.2
57.03444	7.2
57.07082	5.7
67.05513	55.3
69.07077	7.0
78.56895	3.3
79.05495	30.0
81.07063	63.8
83.08617	7.6
84.17957	3.6
85.06522	3.8
85.30513	3.9
90.40048	3.7
91.05492	16.1
93.07048	49.2
95.08615	50.4
98.98477	100.0
105.07027	18.2
107.08599	42.2
109.10145	28.3
117.07034	4.4
119.08591	16.7
121.10143	46.3
123.11713	6.8
131.08556	22.3
133.10147	13.8
135.11707	32.7
137.09721	3.6
145.10124	23.3
147.11690	16.3
149.13316	25.8
155.01056	25.1
159.11734	14.7
161.13235	4.2
163.14799	16.0
173.02104	19.5
173.13278	6.5
177.16318	5.9
187.14868	6.1
219.06503	20.2
243.21095	39.6
261.22153	98.2
335.25818	90.7
359.18579	17.9
415.22491	38.7
433.22861	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70263	2.4
55.05511	4.4
55.87566	2.8
57.03444	11.2
65.13947	2.5
67.05508	41.9
69.07062	6.8
79.05484	24.9
81.07065	57.4
83.08611	5.6
83.87435	3.1
84.66194	3.2
87.56938	2.7
89.43269	3.0
91.05457	4.8
93.07052	38.1
94.07144	2.9
95.08608	46.6
98.98466	100.0
105.07035	13.4
107.08602	23.3
109.10149	30.9
114.91294	3.1
117.07012	3.5
119.08554	25.7
119.47363	3.0
121.10133	28.7
123.11662	4.8
131.08582	5.8
133.10120	17.9
135.07912	3.2
135.11694	24.6
137.13272	3.6
145.10074	5.9
147.11670	12.4
149.13240	15.0
154.12271	26.9
155.01030	21.3
159.11627	11.1
161.13242	3.8
163.14740	5.6
171.14883	10.3
173.02135	17.3
173.13254	5.6
186.08603	3.5
187.14905	2.9
219.57388	4.0
243.21114	11.2
261.22104	71.2
317.24820	4.6
335.25748	55.7
344.07968	3.4
374.38702	3.1
415.22467	25.8
433.23438	18.0
433.33038	4.7
433.38214	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90204	1.2
55.05522	3.3
57.03447	12.6
57.07077	2.2
67.05507	36.6
69.07067	10.0
71.04988	2.2
74.92551	1.5
79.05499	17.8
81.07060	47.5
82.95142	1.5
83.08643	4.0
87.29577	2.1
91.05479	7.8
93.07046	30.1
95.08607	45.3
98.98470	56.6
105.07034	10.1
107.08599	25.3
109.06490	1.9
109.10168	25.4
116.99565	2.0
119.08587	15.6
121.10135	22.7
121.42306	1.6
123.11709	10.8
124.42888	1.9
131.08577	3.8
133.10150	9.1
135.11700	19.2
145.10150	3.3
147.11681	8.0
149.13260	12.2
154.12289	3.7
155.01019	6.7
159.11697	3.4
161.13309	6.6
163.14832	6.2
173.02098	15.0
173.13263	3.5
177.16296	1.8
187.14845	3.0
191.14171	2.4
232.33252	1.9
243.21167	9.5
261.22122	43.7
317.24658	2.2
335.25793	100.0
415.22238	7.0
433.18307	8.1
433.23514	3.6
433.33209	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50387	2.1
55.05526	4.1
57.03442	3.5
59.40435	2.3
64.35912	2.3
67.05514	36.2
69.07062	5.7
71.65327	2.1
74.80787	2.2
79.05490	26.9
81.07066	47.2
81.43990	2.6
83.08631	5.3
91.05488	15.0
93.07046	37.5
94.11900	2.4
95.08595	43.0
97.10184	2.4
98.98470	100.0
105.07043	13.3
107.08583	37.9
109.10156	30.3
117.07003	4.0
119.08591	29.8
120.08894	5.2
121.10154	32.5
123.11728	12.3
127.00118	2.6
131.08566	11.3
133.10149	13.2
135.08055	4.2
135.11710	20.0
136.08282	3.4
137.13168	2.7
145.10115	5.7
147.11737	10.8
149.13257	14.6
155.01042	23.2
159.11652	5.6
161.13188	8.9
163.14859	10.6
173.02110	15.5
173.13226	9.8
175.14885	3.4
187.14737	3.3
243.21094	19.4
251.10724	3.8
261.22137	72.2
271.67514	2.5
311.12808	9.8
335.25827	61.6
415.22458	35.6
433.23538	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2347
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.07903	3.2
53.57298	3.4
55.05536	4.3
56.05034	4.7
57.03452	3.3
58.05215	3.0
67.05509	48.2
69.07057	4.5
74.06062	4.5
76.17511	3.8
78.40623	3.4
79.05488	22.8
79.67278	3.5
81.07071	59.4
81.45097	3.5
83.08612	7.9
91.05466	7.5
93.07054	38.1
95.04946	4.8
95.08602	49.2
97.10180	4.6
98.98466	100.0
105.07001	14.7
107.08573	28.3
109.10165	36.6
119.08582	22.9
120.23396	3.7
121.10114	36.0
123.11729	8.3
131.08548	6.1
133.10117	23.5
135.11700	22.9
145.10088	14.4
147.04396	23.6
147.11635	6.6
147.44148	4.0
149.13220	8.8
154.12280	34.4
154.73868	3.5
155.01035	31.6
159.11653	7.6
161.13248	15.1
163.14708	5.1
165.05379	4.4
171.14932	19.4
173.02071	16.9
173.13243	6.6
196.45184	3.8
243.21153	26.2
261.22171	65.3
304.24438	4.1
317.24280	4.7
335.25821	57.2
415.22546	30.9
433.23468	6.7
433.33478	16.8
433.37897	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05520	4.1
57.03439	8.4
57.07088	2.7
67.05508	39.2
69.07060	8.8
71.08624	2.6
79.05498	24.1
81.07055	48.9
81.09787	1.5
83.04903	1.8
83.08624	3.4
85.15297	1.6
91.05508	11.9
93.07043	44.1
95.08607	47.1
98.98468	50.4
98.99100	2.4
99.08072	2.3
99.62097	1.5
105.07046	17.6
106.07375	2.7
107.08601	30.6
109.10147	19.7
112.09163	1.5
117.07018	3.9
119.08586	10.6
121.10137	28.7
123.11714	8.1
131.08546	16.7
133.10109	9.4
135.11707	21.0
137.13197	1.8
145.10117	10.7
145.56807	1.8
147.11665	6.9
149.13257	12.5
155.01074	13.2
159.11678	10.0
161.13219	7.1
163.14836	7.8
173.02106	8.4
173.13228	7.4
177.16393	4.1
206.82542	1.7
226.56050	1.7
226.66234	1.9
243.21036	21.7
261.22128	51.0
286.02567	2.0
306.07666	2.4
317.24707	2.0
335.25766	100.0
415.22348	11.3
442.23730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05520	5.8
57.03434	6.5
57.07080	3.6
67.05508	44.7
67.31120	2.3
69.07069	12.7
79.05498	25.0
81.07061	69.1
83.08620	11.7
85.06507	2.5
91.05477	16.4
93.07040	47.4
95.08604	55.7
97.06533	4.1
98.98460	83.8
99.08114	3.1
105.07040	11.1
106.78120	2.7
107.08600	40.4
109.10159	28.3
117.07062	3.4
119.08572	14.8
121.10161	36.5
121.43636	3.3
123.11716	3.6
125.09586	2.5
131.08577	17.2
133.10133	13.2
135.11694	32.6
145.10127	10.5
147.11687	13.8
149.13252	18.6
155.01065	24.2
159.11714	10.3
161.13237	14.7
163.14807	10.9
173.02122	15.0
173.13260	14.1
175.14839	4.3
177.16339	3.3
183.05838	3.0
187.14780	4.8
238.44966	2.8
243.21059	37.2
261.22150	84.5
335.25800	100.0
415.22351	31.2
433.13248	4.0
433.23880	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
55.88340	1.8
57.03432	9.9
57.07069	3.2
60.01591	1.6
64.33968	1.7
66.23457	1.9
67.05180	3.2
67.05510	50.3
69.07065	12.3
73.67372	2.0
74.22929	2.0
77.44579	1.8
79.05486	31.5
81.07058	63.4
83.05031	2.0
83.08633	10.4
91.05472	14.4
91.31448	1.9
93.07045	52.4
95.08610	50.7
97.06504	2.9
97.10171	2.4
98.98464	100.0
100.10549	2.1
105.07032	18.4
107.08601	36.9
109.10158	26.0
111.08044	2.6
117.06995	7.2
119.08571	12.6
121.10144	39.3
123.11683	8.7
131.08563	17.9
133.10133	12.4
135.11693	36.0
135.55243	2.2
137.13217	2.5
145.10117	19.1
147.11668	9.9
149.09679	2.0
149.13240	22.8
155.01064	35.8
159.11676	12.0
161.13254	10.4
161.41231	2.8
163.11086	2.3
163.14877	16.2
170.46915	2.0
173.02055	16.1
173.13274	12.4
177.16374	9.1
187.14847	4.8
190.84781	2.1
191.14183	2.7
203.86111	2.4
233.22571	9.1
243.21101	40.1
261.22131	90.9
335.25772	70.1
384.15106	2.6
415.22348	43.0
433.23203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.12866	1.9
55.05539	6.5
57.03437	9.4
57.07072	2.0
58.11057	1.6
59.02573	1.6
67.05508	43.5
69.07062	12.4
70.11914	1.8
71.08620	2.5
79.05490	29.4
79.06264	1.8
81.07059	52.3
83.08617	9.4
91.05477	11.5
93.07043	38.7
93.78114	2.0
95.08604	44.8
97.06500	3.3
98.98466	100.0
105.07030	11.5
107.08590	31.2
109.10127	24.4
117.07014	4.2
119.08575	14.1
121.10153	36.8
123.11707	9.6
131.08601	17.1
133.10143	14.8
135.11690	26.3
137.13304	4.8
145.10130	10.8
147.11673	10.7
149.13234	20.4
154.12238	2.4
155.01033	28.7
159.11659	15.3
161.13248	8.4
163.14789	10.2
173.02072	17.2
173.13251	9.6
175.14827	3.8
187.14803	3.6
214.13397	2.0
233.22728	2.8
243.21013	23.3
261.22107	77.6
285.15466	2.4
317.24817	3.1
335.25793	79.8
402.26743	2.1
415.22357	26.7
433.23257	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10662	1.6
55.05515	3.9
56.49673	1.9
57.03430	4.8
57.07079	2.2
67.05508	35.4
69.07061	4.6
79.05489	20.1
81.07058	52.4
83.08617	7.2
86.83496	1.9
91.05477	10.5
93.07040	35.9
95.08604	40.1
98.97836	4.5
98.98463	100.0
105.07011	14.3
107.08607	35.3
109.10141	26.3
116.99525	2.3
117.07023	4.5
119.08574	16.3
120.08752	2.2
121.10159	32.3
123.11704	8.5
131.08588	11.9
133.00302	1.9
133.10130	11.1
135.11687	31.0
137.13283	4.3
145.10130	8.3
147.11691	13.4
149.13287	17.3
155.01047	26.0
159.11700	8.7
161.13274	4.5
163.14827	10.7
173.02061	15.6
173.13268	9.0
175.14801	2.7
187.14969	2.8
188.44664	2.4
201.16510	2.5
243.21057	16.6
261.22107	78.7
314.75827	2.2
317.24612	2.2
335.25790	55.2
415.22385	33.5
433.23309	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68011	1.5
63.16391	1.2
67.05502	1.6
69.07034	2.1
71.05011	1.3
81.07050	2.8
93.07003	2.5
95.08572	3.4
100.60348	1.4
100.95692	1.3
107.08565	2.1
111.04433	7.5
119.67280	1.4
121.10149	2.2
124.34389	1.7
135.11705	5.7
143.03983	1.6
143.10672	6.3
144.10991	2.4
154.12242	2.7
165.49757	1.3
179.10640	2.3
203.10487	5.8
206.78900	1.7
253.14082	58.8
285.68912	1.9
325.85980	1.5
331.18842	5.4
433.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58826	4.0
55.05516	18.3
65.03939	4.1
65.56419	4.2
66.20224	3.8
67.05507	64.2
67.43822	4.0
69.07059	17.8
70.74229	4.3
79.05497	53.8
81.07067	45.1
83.04982	19.0
83.08597	7.3
91.05486	35.5
93.03448	5.7
93.07050	82.4
95.04960	73.0
95.08614	40.6
96.42590	3.8
105.07056	35.5
107.06101	4.5
107.08588	56.1
109.10162	19.2
110.38701	4.2
111.04421	18.9
117.07034	9.8
119.08573	69.4
121.02842	18.0
121.06501	8.2
121.10136	44.4
123.11697	6.8
131.08548	22.6
133.10127	49.4
135.08078	5.5
135.11679	43.0
136.06175	25.1
137.06544	7.0
139.03903	25.7
143.08568	19.6
143.42314	5.6
145.10165	33.7
147.11676	43.3
149.13272	26.6
155.03438	10.3
159.11685	20.3
161.13255	10.8
164.94408	4.6
173.13242	8.4
183.11581	6.2
185.13268	11.2
241.19548	7.5
259.20605	48.6
277.21750	22.5
299.11337	5.4
351.18237	4.7
415.24335	5.4
433.25745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.4
56.07118	3.4
57.07080	5.9
61.99389	3.4
64.39877	4.3
67.05514	45.5
69.03444	5.9
69.07066	5.5
71.08631	5.2
79.05499	39.7
81.07079	38.2
83.04984	16.7
87.29858	4.0
91.05480	29.0
93.07048	47.9
95.04981	40.4
95.08625	32.4
98.98456	16.6
105.07053	32.2
107.08586	45.7
109.10171	18.5
111.04427	23.1
117.07001	9.8
119.08578	100.0
120.08920	37.3
121.02847	6.5
121.10123	37.6
123.11673	6.3
131.08594	19.2
133.06447	5.1
133.10175	29.7
135.08069	19.6
135.11719	33.9
136.08406	6.9
139.03935	15.7
145.10146	8.4
147.11729	20.3
149.13269	20.7
155.03412	6.5
159.11668	8.7
161.13306	7.1
175.14838	6.6
183.13847	4.8
230.43759	4.6
241.19568	7.2
259.20575	26.9
261.22330	5.9
277.21637	19.8
279.23218	6.8
320.09167	19.1
321.09595	45.3
334.82394	5.0
376.62967	5.0
416.21149	5.2
433.18259	26.7
433.25528	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	Neogitogenin
Peak:m/z	Relative Intensity
55.05515	15.6
55.28712	1.9
60.58912	2.2
63.53772	2.0
67.05520	21.5
69.07082	27.0
79.05495	20.9
81.07058	36.2
83.05038	2.5
91.05489	13.2
91.52512	2.4
93.07049	47.5
95.08615	20.6
97.06539	11.3
97.10158	12.9
105.07034	20.7
107.08624	29.8
109.10142	14.3
111.11808	2.4
117.06945	4.2
119.08568	21.1
121.10158	34.7
123.11746	4.5
131.08546	12.0
133.10150	20.4
135.11719	23.7
139.11179	8.8
143.08519	3.4
145.10152	10.0
147.11699	17.4
149.13211	19.4
153.09148	2.7
154.12180	4.8
157.10086	2.7
159.11716	12.7
159.17055	2.7
161.13264	12.8
162.32959	2.6
163.14806	4.5
173.13222	6.0
175.14815	3.3
185.13271	3.5
228.21954	2.8
241.19530	5.2
259.20523	23.8
277.21625	4.6
385.25894	2.6
397.30908	3.4
415.31970	37.5
421.13937	2.8
433.33240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05045	7.8
67.05495	6.6
69.07077	4.1
70.06570	0.6
79.05485	2.0
81.07066	4.9
91.05466	2.9
93.07035	3.4
95.08604	5.9
98.98442	2.2
105.07018	0.9
107.08601	1.2
108.44467	0.5
109.10158	12.4
111.08057	0.7
111.11707	0.9
116.75245	0.5
119.08604	3.6
121.10153	2.4
133.10135	0.9
135.11691	0.7
136.11224	1.1
137.09619	3.2
145.10204	0.6
147.11676	0.6
154.12268	100.0
155.01004	0.5
161.18243	0.5
171.14919	42.1
184.86319	0.6
261.22137	2.0
281.38858	0.6
335.25876	0.9
350.19949	0.7
398.34286	2.6
403.04099	0.5
415.93402	0.5
416.35272	6.0
433.21341	0.8
433.37961	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	4.0
80.76937	0.9
81.07083	3.5
93.07053	0.9
93.32159	0.9
95.08563	1.7
98.98437	1.4
109.10149	4.6
125.09622	1.4
135.04399	5.3
149.16785	1.0
162.08072	1.0
189.11197	1.2
214.70241	1.2
227.12744	1.7
255.03185	1.0
259.93604	1.0
262.22366	1.6
294.04263	1.1
308.81226	1.0
314.08173	1.3
336.08414	3.8
336.12399	3.5
336.26163	4.1
342.07199	1.0
350.10437	1.3
372.08731	6.8
381.45609	1.0
386.06586	1.3
386.87079	0.9
388.08337	4.7
398.06506	26.1
399.23782	4.5
416.01941	1.9
416.07587	54.6
417.61420	1.2
434.08621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97887	0.6
58.83934	0.6
59.17182	0.6
84.94698	0.6
106.38092	0.7
125.54528	0.6
176.07289	0.7
191.38448	0.6
207.06305	0.6
246.09209	0.6
273.97079	0.7
292.09634	11.5
294.11270	0.8
300.10172	0.9
304.09747	2.3
306.07745	5.3
308.09128	1.0
316.09729	3.6
317.10434	3.6
320.09137	14.1
321.09930	31.7
322.10150	3.4
327.08530	0.7
329.10483	1.0
330.11365	1.0
331.08646	1.0
332.09210	3.6
334.10623	2.8
336.12277	100.0
337.08997	4.1
338.10162	2.5
344.09149	0.8
345.09790	0.9
346.10718	3.4
357.09836	1.5
360.08630	3.7
360.12701	0.9
361.09439	3.5
366.09650	1.1
372.08484	2.6
375.11139	1.6
388.11746	1.5
390.09650	19.0
390.14212	0.8
406.11407	6.3
426.12820	1.0
434.12250	65.9
434.19470	57.7
434.28531	1.0
445.39096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76715	1.5
58.92296	1.5
62.39833	1.7
72.98792	1.6
192.62486	1.8
299.09467	3.5
314.08063	3.5
317.10599	3.1
321.09949	3.8
322.87656	2.5
330.07736	2.0
334.10825	3.2
344.09149	8.7
345.09882	24.8
348.08865	3.7
355.08545	1.9
358.07016	4.4
360.08563	10.9
362.10065	2.8
372.08707	8.1
373.09515	16.9
377.08820	2.5
390.17017	13.6
401.08682	3.6
404.14902	3.1
416.11288	100.0
418.16425	10.5
419.17139	11.1
434.12259	99.2
434.19470	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70079	0.7
62.63265	0.8
89.65045	0.9
114.18436	1.0
121.06539	1.5
134.50676	0.8
156.61115	1.0
174.68234	1.1
289.10916	1.6
299.09464	2.2
316.09717	2.0
317.10355	3.4
320.09149	1.6
328.09531	1.0
329.10522	1.5
330.11124	1.6
332.09091	8.0
336.12253	4.5
344.09106	1.8
345.09985	1.5
346.10773	1.8
357.09854	4.3
360.08609	6.2
361.09534	1.8
365.11951	6.7
372.08578	3.9
374.10239	4.2
388.11816	1.9
390.09656	33.0
393.11472	9.9
403.88831	1.1
406.12720	7.6
418.16513	1.9
434.12296	100.0
434.18839	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77538	0.5
59.59687	0.5
70.06567	0.5
75.02846	0.4
76.93933	0.5
81.54500	0.5
95.08554	0.6
128.60020	0.5
133.55013	0.5
135.04411	2.1
149.06006	2.4
173.05963	0.7
176.07079	0.9
187.07686	0.5
202.05083	0.6
202.13414	0.5
226.83119	0.6
228.10150	5.5
275.07108	1.1
285.09122	0.7
286.88544	0.6
287.10645	3.1
315.10049	4.1
315.16132	0.6
318.07819	0.8
320.09189	38.2
321.10129	2.2
333.10062	1.2
333.17419	2.0
338.68939	0.6
345.11182	2.5
350.14987	0.5
351.18445	0.8
360.12292	1.9
362.13846	7.0
390.13419	6.1
402.34555	0.6
434.12357	100.0
434.22873	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.3
58.03233	0.3
67.05466	0.6
69.06996	0.5
72.24079	0.3
79.05444	0.4
81.07028	0.7
92.20907	0.5
93.06989	1.4
95.08563	0.5
98.98418	1.5
99.04433	0.5
103.40714	0.4
105.06994	2.2
106.07355	0.4
121.06522	0.4
135.04462	0.6
244.21698	0.4
262.22464	0.8
308.09064	3.6
320.08762	0.4
334.10822	0.6
336.08655	100.0
336.26160	0.7
396.10568	0.5
406.12839	44.0
434.12363	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86013	0.8
85.02912	1.2
107.04948	1.5
108.08113	0.9
116.50685	0.9
120.07950	0.8
122.06028	1.0
127.03889	1.1
128.07053	4.2
134.05978	1.1
136.04713	1.0
136.93579	1.1
161.05998	1.3
189.09053	1.1
190.08606	5.5
191.09369	3.4
237.07674	1.2
272.09219	3.4
282.07217	1.5
284.09302	1.1
299.07800	3.4
300.08643	45.5
301.09140	1.1
314.10211	23.7
341.08920	19.1
342.09723	57.0
356.11310	10.2
357.12039	7.3
359.10056	8.2
374.12320	32.3
388.13852	2.0
401.10922	1.3
404.60825	1.2
416.13461	5.1
434.14319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59297	0.4
73.17323	0.5
75.44379	0.5
81.07014	1.9
88.62161	0.4
90.02305	0.5
109.98805	0.5
121.03059	0.4
125.05941	3.0
143.70712	0.4
153.05420	1.2
224.20021	0.5
292.09644	10.3
297.09644	0.7
304.09735	2.6
306.07626	3.7
318.07407	0.6
320.09164	12.1
321.09958	30.1
335.10913	0.8
336.12286	100.0
360.68243	0.5
395.97647	0.5
434.15955	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73785	0.9
60.14896	1.1
67.05505	2.1
69.07062	1.2
70.06606	1.1
81.07083	1.8
88.07689	1.1
91.05550	1.4
95.08621	2.9
96.08941	1.4
98.98492	2.7
107.03101	1.2
129.21260	1.5
139.18816	1.2
147.04430	2.4
154.12257	1.8
155.12598	1.5
174.05435	1.3
176.07050	9.9
203.10625	1.6
228.10092	11.4
230.08200	1.9
290.09338	2.7
303.10049	1.6
313.08688	1.4
321.10126	2.1
330.12494	7.8
331.09763	1.4
332.10339	1.7
336.12357	11.9
336.26105	2.7
346.11829	2.6
351.14420	1.4
361.14392	6.0
362.13681	2.0
378.16974	26.8
416.22690	1.9
434.15982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78463	0.8
58.06608	6.8
65.25172	0.8
84.46996	0.8
165.76033	0.9
292.09741	1.2
305.06931	4.0
319.08356	5.5
320.09164	85.0
321.09888	1.4
322.22552	0.9
334.10684	17.6
335.11505	79.9
336.12286	11.4
434.15979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59297	0.4
73.17323	0.5
75.44379	0.5
81.07014	1.9
88.62161	0.4
90.02305	0.5
109.98805	0.5
121.03059	0.4
125.05941	3.0
143.70712	0.4
153.05420	1.2
224.20021	0.5
292.09644	10.3
297.09644	0.7
304.09735	2.6
306.07626	3.7
318.07407	0.6
320.09164	12.1
321.09958	30.1
335.10913	0.8
336.12286	100.0
360.68243	0.5
395.97647	0.5
434.15955	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97622	0.5
92.03791	0.6
94.68465	0.7
97.71384	0.7
123.05507	3.4
124.03920	1.2
149.13272	0.7
163.83359	0.7
176.44060	0.7
231.47070	0.7
290.08221	1.0
292.09634	7.5
301.51208	0.7
304.05988	1.4
306.07535	1.2
314.48828	0.7
315.54587	0.8
318.07510	2.8
319.08417	12.2
319.44644	0.7
320.09158	100.0
321.09894	14.4
334.10699	24.5
335.11563	3.8
336.08072	1.0
336.12268	55.5
434.15259	58.8
434.20486	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13760	0.4
58.87973	0.3
129.65929	0.4
142.82080	0.4
170.96870	0.5
176.06956	0.5
284.02597	0.4
292.09579	2.8
320.09158	100.0
321.09915	0.6
334.10779	0.6
335.11447	9.1
336.12354	2.8
434.15970	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11676	0.7
63.17819	0.7
97.89418	0.8
99.79948	0.8
107.21725	0.8
114.52222	0.7
138.31313	1.0
151.75479	0.8
198.90474	1.1
233.76173	0.8
292.09656	9.9
304.09692	1.5
306.07593	5.0
308.71057	1.0
320.09134	10.1
321.09949	29.0
336.12311	100.0
434.15967	33.2
439.48758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.3
50.18715	0.2
54.42581	0.2
56.18485	0.2
63.02331	0.4
85.05605	0.2
85.53242	0.3
86.01588	0.3
139.05324	0.3
151.05011	0.3
152.06172	1.1
152.53610	0.3
163.05377	0.4
178.06508	0.5
180.07977	0.4
190.06531	0.4
191.07231	1.2
204.08133	0.4
206.05927	0.4
207.06596	0.3
208.07495	1.3
208.80824	0.3
219.06882	0.5
220.07454	0.6
222.05519	0.3
222.09055	0.5
223.66418	0.3
228.23189	0.3
235.06114	0.4
236.07095	4.5
237.07652	3.1
238.08105	0.4
238.42249	0.3
265.07266	3.7
266.07675	0.6
278.08044	0.4
279.08978	0.5
280.09628	1.6
281.09952	0.3
291.08554	0.3
292.09616	4.4
294.11261	0.4
304.09622	0.4
306.07504	1.3
307.08258	0.4
308.09161	0.4
308.12650	0.5
320.09164	10.9
321.09949	15.9
322.10779	0.5
323.11285	0.4
336.12274	100.0
434.15973	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97103	0.5
56.08644	0.5
56.20341	0.5
56.65540	0.5
60.42812	0.6
66.45419	0.5
79.45610	0.6
197.11740	0.6
234.86632	0.6
292.09637	12.4
304.09698	1.0
306.07645	4.6
320.09149	15.4
321.09946	32.3
336.12268	100.0
395.58209	0.7
421.31219	0.7
434.15924	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09732	0.5
53.68690	0.5
55.45502	0.5
56.58792	0.5
59.49237	0.6
59.88066	0.6
66.15944	0.6
77.56667	0.6
80.51647	0.6
90.30267	0.6
92.61950	0.6
109.20737	0.7
110.45212	0.6
111.37476	0.7
127.42828	0.6
164.77455	0.6
182.64041	0.7
212.56134	0.7
278.07990	1.1
292.06525	1.3
292.09656	20.6
304.09937	1.1
306.07654	4.2
306.11267	3.3
314.11749	1.1
319.12015	0.8
320.09119	10.3
321.09943	32.4
330.11264	1.1
331.11856	1.3
334.10721	8.9
336.12265	100.0
342.11389	0.9
343.11963	1.4
358.10718	6.9
359.11505	0.9
372.12195	1.1
374.13712	1.0
376.03162	0.8
376.11926	1.4
387.11026	11.4
402.13385	26.0
404.11200	6.8
419.14163	0.9
434.14804	55.8
434.20093	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41448	0.2
55.64746	0.2
71.96191	0.2
109.90598	0.2
170.72307	0.3
174.97633	0.2
263.68884	0.2
277.42615	0.3
292.09653	10.6
304.09628	2.0
306.07620	3.7
320.09146	12.7
321.09949	30.7
336.12283	100.0
347.62222	0.2
434.15964	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19436	0.6
51.26624	0.6
80.17276	0.7
92.21500	1.1
175.76035	0.7
178.76665	0.7
227.30904	0.8
292.09686	8.4
306.07605	2.9
319.08255	1.0
320.09158	14.2
321.09921	27.3
321.13489	1.2
334.10736	40.4
336.12280	100.0
349.12991	1.0
390.13266	14.0
402.13403	4.2
404.11209	9.4
418.12875	15.8
419.13553	15.8
434.15173	86.8
434.20517	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78784	0.3
52.73022	0.3
56.73012	0.3
60.75815	0.3
68.57845	0.3
71.57176	0.3
76.45753	0.4
76.67223	0.3
92.21626	0.4
94.39252	0.4
103.29617	0.4
124.39899	0.4
179.36418	0.4
181.26862	0.4
223.95732	0.4
225.97281	0.3
261.29327	0.4
292.09668	3.7
318.07501	0.5
320.09177	100.0
321.09680	1.5
334.10663	2.2
336.12344	5.7
434.15979	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14148	0.3
66.23534	0.4
78.15654	0.4
87.82020	0.4
292.09641	9.7
304.09595	2.4
306.07663	2.3
320.09158	10.1
321.09940	26.4
334.10785	0.5
336.12280	100.0
423.99945	0.4
434.15952	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37030	0.1
71.03500	0.1
84.13752	0.1
95.92756	0.1
113.84715	0.1
136.58272	0.1
152.06149	0.1
153.86131	0.1
163.05367	0.2
178.06569	0.2
191.07230	0.5
207.06644	0.1
208.07434	0.3
220.07506	0.2
236.07050	1.1
237.07668	0.7
238.08139	0.1
250.08556	0.2
263.09375	0.1
264.10068	0.2
265.07224	0.9
266.07700	0.2
279.08813	0.1
280.09598	0.3
291.09018	0.2
292.09641	2.6
293.10342	0.5
306.07584	0.5
307.08392	0.3
308.09427	0.3
308.12656	1.5
319.08289	0.2
320.09158	9.2
321.09955	5.2
334.10675	0.7
335.11142	0.2
336.12289	100.0
434.16016	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12749	0.2
62.61019	0.2
67.10146	0.3
67.50505	0.2
85.02863	0.3
89.68621	0.3
90.25258	0.3
124.67226	0.3
127.01328	0.2
184.21754	0.3
235.33472	0.3
249.28386	0.3
275.09332	0.4
278.07901	0.3
292.09656	10.8
304.09760	2.0
306.07608	3.8
307.08392	0.5
318.07648	4.5
320.05402	0.4
320.09146	14.4
321.09949	29.3
322.09756	0.4
334.10599	0.5
336.12283	100.0
338.12839	0.3
402.70721	0.3
434.16229	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25599	0.4
58.56038	0.5
74.35629	0.6
75.24384	0.6
88.05792	0.5
92.21571	0.5
99.82776	0.5
121.08016	0.5
131.64915	0.5
135.11853	0.6
187.55438	0.6
236.07028	0.7
276.84323	0.6
281.66675	0.5
292.09662	10.9
304.09677	1.2
306.07651	3.5
320.09143	14.1
321.09955	33.1
336.12286	100.0
434.16000	33.2
434.21967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42150	0.6
52.60321	0.7
57.03434	1.0
61.02931	1.0
64.70509	0.7
66.19118	0.7
69.03428	3.9
81.03406	1.5
85.02895	9.6
87.04469	2.8
88.18879	0.7
97.02900	4.0
99.04396	1.1
107.04954	97.2
115.29814	0.9
117.07057	0.9
121.06466	1.3
123.04432	15.7
127.03892	0.9
133.06442	0.8
137.05974	1.0
143.04875	8.4
145.06496	12.5
149.05896	1.1
161.05971	39.8
161.07315	1.5
164.07085	1.3
182.21573	0.7
209.09654	1.1
219.07962	0.8
219.13829	3.1
237.09100	6.9
237.15108	1.0
243.10277	0.8
255.10127	45.9
256.61777	0.8
272.12796	18.2
434.18069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49139	0.8
59.98346	0.8
64.77603	0.8
69.03434	2.3
72.21566	0.9
85.02905	9.3
86.09681	0.9
97.02886	3.6
100.00289	1.0
107.04961	100.0
109.02874	1.1
112.30138	0.9
121.06500	1.8
123.04441	11.8
127.03979	2.1
143.04915	9.2
145.06487	11.8
149.06047	4.3
161.05968	33.8
177.74409	1.0
209.09576	1.9
226.05937	0.9
237.09056	9.1
243.10304	2.2
245.28198	1.0
255.10139	44.9
255.12653	1.8
272.09570	1.5
272.12772	29.9
292.58594	1.1
308.01184	1.0
434.18124	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1807
Annotation	Naamidine D
Peak:m/z	Relative Intensity
57.03440	0.9
57.75712	0.6
61.02909	1.1
69.03423	4.3
73.02931	1.0
76.27869	0.7
79.75467	0.6
81.03413	0.7
82.39735	0.7
85.02911	12.0
91.03955	0.7
93.72458	0.9
97.02903	3.1
107.04955	73.7
121.06515	1.4
123.04427	10.0
127.03938	4.7
133.41676	1.0
136.07489	1.0
137.06001	0.8
140.01494	0.7
143.04907	6.7
145.06505	10.7
149.05974	2.7
161.05968	32.4
164.07053	3.8
168.15388	0.7
209.09589	3.2
237.09076	5.2
255.10143	44.5
272.12817	17.2
290.52841	0.8
359.29153	0.8
434.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1808
Annotation	Naamidine D
Peak:m/z	Relative Intensity
56.88352	0.4
57.03438	0.6
61.02930	1.0
69.03431	4.2
73.02933	0.6
75.97475	0.4
81.03431	1.2
85.02905	10.9
85.03388	0.8
87.04472	1.1
88.60532	0.6
91.03953	0.7
97.02898	3.3
99.04453	0.5
107.04955	76.9
109.02888	1.1
115.05456	2.1
121.06509	2.3
123.04421	11.5
127.03915	2.5
133.06468	0.9
135.04388	0.6
137.06046	1.0
143.04916	17.2
145.06479	8.9
149.05939	0.8
161.05980	16.8
164.07068	5.7
178.08702	0.7
209.09589	2.9
237.09109	4.5
240.07767	0.8
253.08511	0.6
255.10136	56.1
272.12784	32.4
297.11398	0.6
434.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29014	1.6
50.53809	1.7
58.06627	1.9
69.03458	4.1
70.06602	3.0
85.02930	11.2
97.02950	1.9
99.04486	3.4
104.32940	1.8
107.04967	67.6
112.53606	2.0
116.07175	2.8
118.60062	1.6
120.10900	1.9
121.06577	2.8
123.04436	13.5
128.07137	4.4
130.35045	2.1
137.06075	2.4
142.08696	2.2
143.04942	19.2
145.06581	8.1
161.06052	12.5
164.07201	8.9
182.32457	2.3
237.09361	3.3
255.10210	45.0
272.12827	27.5
342.09644	2.2
374.12314	1.9
387.55109	1.9
409.12854	2.3
434.18372	100.0
434.23917	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1808
Annotation	Naamidine A
Peak:m/z	Relative Intensity
57.03424	0.8
57.88822	0.9
62.44926	1.0
69.03410	1.6
70.06596	1.7
75.28037	0.9
76.85641	0.9
85.02898	1.9
95.37090	1.0
97.02851	1.8
98.91766	0.9
99.04440	6.3
101.77701	1.1
107.04958	64.5
109.02908	1.0
116.77135	1.1
121.06496	8.5
123.04415	12.2
126.05507	3.6
127.03909	1.4
128.07083	2.1
133.06491	1.4
136.85686	1.0
138.05637	1.1
143.04892	7.6
145.05527	1.0
145.06479	10.6
149.05984	2.2
156.06613	3.9
161.05966	30.5
162.07648	1.4
164.07088	6.6
170.08136	2.4
174.07617	21.5
177.07784	1.7
183.06560	1.1
206.08228	1.9
219.08937	6.1
237.09120	3.8
249.09128	1.0
255.10146	28.2
270.11298	1.2
272.12683	1.2
273.02502	1.1
278.10046	1.8
284.12842	5.5
286.37823	1.1
296.12820	1.8
300.09122	1.2
309.12097	4.2
310.12939	1.4
335.29718	1.0
337.91519	1.1
398.16180	1.5
416.17010	60.3
434.18158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52120	0.9
51.90830	0.9
53.03953	1.1
54.09019	0.9
55.53347	0.8
56.64004	0.9
61.02919	1.2
69.03416	6.0
70.06586	1.3
72.08147	2.0
78.54541	1.1
81.03403	2.0
85.02906	15.6
85.41727	1.0
87.04491	1.3
91.03953	1.7
97.02886	2.6
99.04465	1.9
100.07597	6.5
100.22234	1.3
105.95938	1.1
107.04957	99.9
109.02877	1.4
116.07053	1.8
121.06505	2.4
121.44091	1.0
123.04435	17.1
127.03913	4.0
128.07068	43.5
137.02335	2.5
137.05960	2.1
142.08611	5.6
143.04962	8.2
144.06548	1.0
145.04938	1.8
145.06451	11.1
149.05978	2.4
161.05974	37.7
164.07027	2.5
186.07509	1.3
188.09132	6.7
194.08096	6.0
209.09631	1.4
226.08614	2.4
237.09065	6.7
243.10179	1.7
248.61998	1.2
255.10159	49.0
272.12827	30.3
331.94037	1.1
332.13354	8.8
392.16037	1.2
416.15427	2.0
434.18198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45665	0.3
52.10548	0.4
54.36134	0.4
57.03440	0.9
58.06608	7.7
61.02930	1.1
62.91311	0.3
63.02377	0.6
66.28164	0.4
69.03427	4.2
70.18877	0.4
71.06304	0.4
73.02897	0.6
80.31165	0.5
81.03423	1.0
85.02907	7.4
87.04477	0.6
87.26630	0.4
91.05505	0.4
93.21870	0.4
97.02902	2.8
99.04440	1.0
107.04956	67.9
109.02876	0.7
115.05433	3.3
117.07032	0.7
119.57705	0.5
120.16320	0.4
121.02917	0.4
121.06501	3.6
123.04437	9.5
127.03935	2.1
131.04921	0.9
133.06512	0.4
137.06013	1.9
139.05460	0.5
143.04932	16.2
145.04921	0.8
145.06476	8.5
148.05261	0.4
149.05977	0.5
152.06186	1.7
161.05969	15.8
164.07091	8.2
165.06914	3.3
189.06921	0.7
193.06613	0.7
209.09700	2.3
226.06158	0.5
237.09081	4.1
237.70891	0.5
255.10144	47.3
268.76013	0.4
270.11234	0.7
272.12799	40.8
276.12411	0.5
297.11087	0.5
406.04105	0.5
414.96381	0.5
434.18158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41648	0.4
59.60089	0.4
67.05506	0.7
71.08606	0.5
74.94322	0.5
81.07041	0.7
88.07645	1.1
93.07049	0.5
95.08582	1.1
99.04472	0.6
102.05515	0.8
105.07008	0.6
109.10178	0.6
121.06470	0.8
123.71985	0.7
130.62459	0.5
137.32832	0.6
145.04941	0.9
145.10127	0.7
214.72278	0.5
215.35034	0.6
232.11813	0.9
242.24745	4.6
262.17761	0.5
292.09726	2.4
306.11169	1.0
317.10413	2.3
320.09225	7.9
321.09988	5.2
330.11276	1.9
333.17291	0.9
334.10678	3.0
335.11435	8.8
336.12274	3.1
344.09140	0.7
345.13861	0.7
346.14539	0.9
348.08636	14.4
348.12408	2.7
352.18698	1.1
358.10934	0.9
362.10165	19.6
362.13925	1.8
363.14633	1.2
370.19830	2.8
374.17325	4.9
376.11627	13.1
386.29156	0.7
390.13281	0.8
402.17026	9.8
404.14966	4.5
419.17273	0.8
434.19608	100.0
434.31226	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46410	1.2
54.22009	1.4
54.90326	1.8
57.21394	1.4
72.30224	1.7
93.69473	1.6
98.96028	2.1
142.63651	1.8
214.05968	2.2
249.03200	1.8
320.09152	3.5
321.09827	6.6
334.10797	3.7
338.14044	2.0
345.10233	2.3
346.10300	1.7
348.08661	7.1
362.10147	7.6
376.15649	2.6
390.16989	23.6
402.17050	6.8
404.14716	12.4
416.11142	17.0
418.16406	20.6
419.17010	20.0
434.12509	16.8
434.19595	100.0
434.25418	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41648	0.4
59.60089	0.4
67.05506	0.7
71.08606	0.5
74.94322	0.5
81.07041	0.7
88.07645	1.1
93.07049	0.5
95.08582	1.1
99.04472	0.6
102.05515	0.8
105.07008	0.6
109.10178	0.6
121.06470	0.8
123.71985	0.7
130.62459	0.5
137.32832	0.6
145.04941	0.9
145.10127	0.7
214.72278	0.5
215.35034	0.6
232.11813	0.9
242.24745	4.6
262.17761	0.5
292.09726	2.4
306.11169	1.0
317.10413	2.3
320.09225	7.9
321.09988	5.2
330.11276	1.9
333.17291	0.9
334.10678	3.0
335.11435	8.8
336.12274	3.1
344.09140	0.7
345.13861	0.7
346.14539	0.9
348.08636	14.4
348.12408	2.7
352.18698	1.1
358.10934	0.9
362.10165	19.6
362.13925	1.8
363.14633	1.2
370.19830	2.8
374.17325	4.9
376.11627	13.1
386.29156	0.7
390.13281	0.8
402.17026	9.8
404.14966	4.5
419.17273	0.8
434.19608	100.0
434.31226	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1961
Annotation	Karachine
Peak:m/z	Relative Intensity
60.23566	0.4
67.05505	2.3
67.98292	0.5
68.05855	0.7
69.07056	0.5
70.21660	0.4
72.50989	0.5
77.94183	0.5
81.07040	1.1
82.07385	0.9
83.08636	0.7
85.79882	0.5
93.07037	1.0
94.35830	0.6
95.08643	1.0
96.08958	0.8
98.98446	4.0
105.07037	0.5
105.11439	0.5
107.08613	0.6
109.10161	0.9
119.08562	0.6
121.10145	1.1
262.22528	2.3
292.09747	2.3
304.09976	0.8
316.09714	1.0
317.10538	3.0
320.09091	7.9
321.09747	3.8
330.11237	2.7
332.09079	0.8
334.10785	3.1
335.11343	5.0
336.12253	2.1
336.26288	4.4
344.09372	0.7
345.13831	0.9
346.14294	2.3
348.08649	14.6
348.12402	2.3
358.10782	0.9
358.30460	0.6
362.10205	23.7
362.13522	1.3
363.14661	2.3
370.19815	1.3
374.17505	4.9
376.11688	14.3
376.15637	1.5
388.15155	0.7
390.13138	0.7
402.16937	8.4
404.14832	5.2
434.19629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1958
Annotation	Karachine
Peak:m/z	Relative Intensity
53.97028	1.2
63.71961	1.3
68.24107	1.2
71.56956	1.3
92.20911	1.4
95.08598	1.5
96.37658	1.3
140.36320	1.4
320.09158	3.3
321.09924	8.4
334.10663	3.0
348.08646	8.9
348.12643	1.6
362.10175	7.1
388.65396	1.6
390.17044	25.1
392.45795	1.6
402.17352	2.7
404.14926	14.2
416.11841	2.9
418.16452	20.3
419.17163	14.6
434.19662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
60.04515	1.0
61.56666	0.5
63.14172	0.5
67.05501	2.7
69.07072	0.8
71.04997	0.6
72.04527	0.8
73.27358	0.6
74.02437	1.2
74.06070	0.8
79.05495	0.7
81.07069	3.6
83.08638	0.6
84.04535	0.7
88.03987	2.5
90.05566	4.2
93.07076	0.7
95.08631	2.3
102.05550	2.8
107.08608	1.0
107.42387	0.6
109.10159	1.2
114.05539	4.1
116.07098	1.0
118.05015	3.5
119.08637	0.9
121.06506	0.6
121.10114	0.6
123.11744	0.7
127.25247	0.7
132.06564	9.1
133.10159	0.6
134.08160	2.1
136.05968	1.1
142.04971	0.7
147.95021	0.6
154.23860	0.5
160.06064	1.2
178.07088	4.3
189.77473	0.6
199.49280	0.6
233.10577	0.6
237.18800	0.6
241.60449	0.7
292.09793	3.1
306.07733	2.4
306.11310	1.0
317.10437	3.9
320.09216	8.6
321.09940	4.7
323.08298	0.7
330.11420	3.0
334.10742	2.6
335.11514	8.8
336.12411	3.8
345.14157	0.7
346.14572	1.0
348.08603	16.1
348.12314	2.1
358.10425	2.2
362.10153	20.5
362.13382	1.5
363.10654	0.7
363.14615	2.1
370.24545	1.2
374.17581	5.0
376.11603	13.0
376.14908	1.5
388.15131	0.6
388.25720	1.0
390.17029	1.2
402.17014	9.3
404.14911	4.1
416.25116	3.4
416.30084	1.3
419.17123	0.6
434.19647	100.0
434.25275	4.3
434.31125	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.0
55.01860	1.1
55.80141	0.6
57.03447	13.3
59.04985	4.5
60.04506	1.3
61.02915	3.2
63.02362	0.8
69.03436	59.4
70.47203	0.6
71.04973	0.8
73.02888	1.6
75.02357	0.8
75.04456	3.1
77.65359	0.7
81.03389	1.5
81.07018	1.1
85.02907	62.7
87.04470	62.3
91.03963	2.6
97.02892	67.5
99.04419	3.2
103.03915	1.5
105.06989	3.8
109.02845	3.7
111.04387	1.0
115.03928	90.2
120.69206	0.7
125.05937	3.4
127.03918	13.8
133.04965	71.7
139.03879	0.7
140.04874	0.7
145.04970	18.9
146.26791	0.7
147.08075	1.4
150.07619	12.0
152.06154	1.2
153.05527	2.6
161.04288	0.7
163.06085	5.1
164.82692	0.7
165.05594	0.7
166.06470	0.8
169.04953	1.2
169.06422	0.9
171.06532	0.7
171.07956	1.0
177.05446	1.0
178.06418	1.5
179.07011	0.9
180.08128	0.9
185.01105	0.7
191.07257	2.5
192.07478	0.7
201.09032	1.2
207.06766	1.2
208.07437	3.6
219.06604	1.2
219.10011	1.6
220.07426	1.5
222.09172	0.8
235.06279	1.0
236.07034	10.3
237.07648	5.4
238.08009	0.8
241.07106	1.7
246.00279	0.8
250.08331	1.0
251.09216	1.6
255.12161	1.6
259.08157	9.8
262.08469	0.9
265.07315	6.5
266.07452	1.1
277.09158	1.1
278.08044	0.9
279.08694	2.7
280.09509	3.3
285.13318	9.4
292.09576	4.4
294.11322	1.0
295.10318	8.3
296.05176	0.8
297.09430	0.7
302.15826	0.9
307.08240	1.4
308.08936	1.2
310.62018	0.8
312.39050	0.7
320.09158	100.0
321.09866	2.7
332.08969	3.0
334.10364	1.2
335.38632	0.8
336.12021	4.5
434.12128	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.0
55.01860	1.1
55.80141	0.6
57.03447	13.3
59.04985	4.5
60.04506	1.3
61.02915	3.2
63.02362	0.8
69.03436	59.4
70.47203	0.6
71.04973	0.8
73.02888	1.6
75.02357	0.8
75.04456	3.1
77.65359	0.7
81.03389	1.5
81.07018	1.1
85.02907	62.7
87.04470	62.3
91.03963	2.6
97.02892	67.5
99.04419	3.2
103.03915	1.5
105.06989	3.8
109.02845	3.7
111.04387	1.0
115.03928	90.2
120.69206	0.7
125.05937	3.4
127.03918	13.8
133.04965	71.7
139.03879	0.7
140.04874	0.7
145.04970	18.9
146.26791	0.7
147.08075	1.4
150.07619	12.0
152.06154	1.2
153.05527	2.6
161.04288	0.7
163.06085	5.1
164.82692	0.7
165.05594	0.7
166.06470	0.8
169.04953	1.2
169.06422	0.9
171.06532	0.7
171.07956	1.0
177.05446	1.0
178.06418	1.5
179.07011	0.9
180.08128	0.9
185.01105	0.7
191.07257	2.5
192.07478	0.7
201.09032	1.2
207.06766	1.2
208.07437	3.6
219.06604	1.2
219.10011	1.6
220.07426	1.5
222.09172	0.8
235.06279	1.0
236.07034	10.3
237.07648	5.4
238.08009	0.8
241.07106	1.7
246.00279	0.8
250.08331	1.0
251.09216	1.6
255.12161	1.6
259.08157	9.8
262.08469	0.9
265.07315	6.5
266.07452	1.1
277.09158	1.1
278.08044	0.9
279.08694	2.7
280.09509	3.3
285.13318	9.4
292.09576	4.4
294.11322	1.0
295.10318	8.3
296.05176	0.8
297.09430	0.7
302.15826	0.9
307.08240	1.4
308.08936	1.2
310.62018	0.8
312.39050	0.7
320.09158	100.0
321.09866	2.7
332.08969	3.0
334.10364	1.2
335.38632	0.8
336.12021	4.5
434.12128	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01865	1.1
57.03438	1.3
58.06604	4.1
58.40327	0.8
59.19074	0.8
60.48431	0.9
69.03419	6.5
70.06590	1.6
72.04523	16.5
72.21670	1.0
73.02923	3.9
81.03423	12.5
83.04987	1.4
85.02914	41.5
85.06536	5.1
87.04494	1.9
90.05559	2.2
93.06969	0.9
96.04483	4.6
97.02905	8.5
98.06038	1.4
99.04461	100.0
100.01538	1.1
103.03957	12.8
107.04958	1.0
109.02863	4.6
109.06489	1.0
110.06074	2.3
114.05492	1.7
117.05505	1.8
121.06441	1.6
125.04781	1.3
126.05518	2.2
127.03914	12.7
131.04909	1.8
134.06001	1.3
137.05986	1.2
138.05515	24.7
141.05460	14.0
142.08641	5.6
145.04961	4.2
153.01778	1.3
156.06577	2.3
160.58873	1.1
163.07515	1.1
166.06317	1.2
168.06560	1.2
170.08075	4.0
174.07510	1.7
180.06540	8.9
198.07660	4.9
227.00412	1.3
230.10400	2.0
255.12329	1.8
278.10495	1.1
296.11328	16.7
314.12268	5.2
332.13406	25.2
377.59940	1.1
434.14172	4.2
434.20163	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01865	1.1
57.03438	1.3
58.06604	4.1
58.40327	0.8
59.19074	0.8
60.48431	0.9
69.03419	6.5
70.06590	1.6
72.04523	16.5
72.21670	1.0
73.02923	3.9
81.03423	12.5
83.04987	1.4
85.02914	41.5
85.06536	5.1
87.04494	1.9
90.05559	2.2
93.06969	0.9
96.04483	4.6
97.02905	8.5
98.06038	1.4
99.04461	100.0
100.01538	1.1
103.03957	12.8
107.04958	1.0
109.02863	4.6
109.06489	1.0
110.06074	2.3
114.05492	1.7
117.05505	1.8
121.06441	1.6
125.04781	1.3
126.05518	2.2
127.03914	12.7
131.04909	1.8
134.06001	1.3
137.05986	1.2
138.05515	24.7
141.05460	14.0
142.08641	5.6
145.04961	4.2
153.01778	1.3
156.06577	2.3
160.58873	1.1
163.07515	1.1
166.06317	1.2
168.06560	1.2
170.08075	4.0
174.07510	1.7
180.06540	8.9
198.07660	4.9
227.00412	1.3
230.10400	2.0
255.12329	1.8
278.10495	1.1
296.11328	16.7
314.12268	5.2
332.13406	25.2
377.59940	1.1
434.14172	4.2
434.20163	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41808	0.7
69.03431	1.6
70.06594	3.1
73.02892	0.8
81.03427	0.7
82.06570	1.0
84.04498	0.9
85.02909	7.8
87.04449	1.1
97.02891	3.5
99.04482	1.0
100.07625	13.8
107.04966	4.6
108.08112	0.7
109.02872	2.9
110.06045	8.3
116.07069	0.9
122.06071	2.8
123.04446	1.1
126.05509	1.0
127.03922	1.4
128.07080	100.0
134.06001	5.6
138.05498	1.3
142.08656	9.0
145.06413	0.8
152.07066	3.5
161.06061	0.9
164.07080	0.9
169.28856	0.7
174.05763	0.9
174.61887	0.8
176.07097	0.9
182.29060	0.7
185.02675	1.1
186.07617	4.8
187.06056	1.0
188.07686	1.1
188.09164	10.1
190.08693	1.4
191.09335	1.1
192.51894	0.7
226.08569	0.8
227.08980	1.8
237.01741	0.8
251.92441	0.8
254.10239	3.7
255.10236	0.9
268.11835	1.1
272.11276	1.4
286.12885	1.5
296.11145	2.4
305.11816	1.0
314.12341	9.1
320.17154	0.7
332.13370	10.6
388.20013	0.8
416.15158	1.3
434.15628	5.0
434.20450	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01865	1.1
57.03438	1.3
58.06604	4.1
58.40327	0.8
59.19074	0.8
60.48431	0.9
69.03419	6.5
70.06590	1.6
72.04523	16.5
72.21670	1.0
73.02923	3.9
81.03423	12.5
83.04987	1.4
85.02914	41.5
85.06536	5.1
87.04494	1.9
90.05559	2.2
93.06969	0.9
96.04483	4.6
97.02905	8.5
98.06038	1.4
99.04461	100.0
100.01538	1.1
103.03957	12.8
107.04958	1.0
109.02863	4.6
109.06489	1.0
110.06074	2.3
114.05492	1.7
117.05505	1.8
121.06441	1.6
125.04781	1.3
126.05518	2.2
127.03914	12.7
131.04909	1.8
134.06001	1.3
137.05986	1.2
138.05515	24.7
141.05460	14.0
142.08641	5.6
145.04961	4.2
153.01778	1.3
156.06577	2.3
160.58873	1.1
163.07515	1.1
166.06317	1.2
168.06560	1.2
170.08075	4.0
174.07510	1.7
180.06540	8.9
198.07660	4.9
227.00412	1.3
230.10400	2.0
255.12329	1.8
278.10495	1.1
296.11328	16.7
314.12268	5.2
332.13406	25.2
377.59940	1.1
434.14172	4.2
434.20163	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41808	0.7
69.03431	1.6
70.06594	3.1
73.02892	0.8
81.03427	0.7
82.06570	1.0
84.04498	0.9
85.02909	7.8
87.04449	1.1
97.02891	3.5
99.04482	1.0
100.07625	13.8
107.04966	4.6
108.08112	0.7
109.02872	2.9
110.06045	8.3
116.07069	0.9
122.06071	2.8
123.04446	1.1
126.05509	1.0
127.03922	1.4
128.07080	100.0
134.06001	5.6
138.05498	1.3
142.08656	9.0
145.06413	0.8
152.07066	3.5
161.06061	0.9
164.07080	0.9
169.28856	0.7
174.05763	0.9
174.61887	0.8
176.07097	0.9
182.29060	0.7
185.02675	1.1
186.07617	4.8
187.06056	1.0
188.07686	1.1
188.09164	10.1
190.08693	1.4
191.09335	1.1
192.51894	0.7
226.08569	0.8
227.08980	1.8
237.01741	0.8
251.92441	0.8
254.10239	3.7
255.10236	0.9
268.11835	1.1
272.11276	1.4
286.12885	1.5
296.11145	2.4
305.11816	1.0
314.12341	9.1
320.17154	0.7
332.13370	10.6
388.20013	0.8
416.15158	1.3
434.15628	5.0
434.20450	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.8
53.03941	0.9
57.03188	1.4
57.03448	31.6
61.02938	11.2
64.33850	0.9
69.03432	26.0
71.01356	1.1
71.04980	1.9
72.53936	0.9
73.02512	2.1
73.02920	60.7
81.03416	2.1
84.08137	6.3
85.02906	100.0
87.04463	6.6
91.03940	6.0
97.02897	58.1
99.04451	4.7
101.02350	0.9
103.03957	1.6
105.07044	9.8
109.02875	9.7
115.03931	39.6
127.03920	29.5
132.06517	2.4
133.04980	9.1
145.04968	44.3
147.08017	1.1
150.07623	6.2
162.07587	1.5
163.06017	22.1
201.09010	2.3
219.10283	1.1
223.05997	2.2
227.25302	1.1
241.06964	3.6
249.11081	1.4
255.12083	1.6
259.08047	8.4
269.08063	2.4
285.13339	29.1
295.10226	15.6
297.07596	1.5
302.15820	2.3
325.07153	1.5
434.12744	2.0
434.19949	13.8
434.27621	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63255	0.6
55.05519	1.2
56.05028	0.9
57.03451	0.8
57.07054	0.7
58.02964	3.1
58.06605	0.9
60.04535	5.6
61.52319	0.7
61.59360	0.6
65.05340	0.7
66.30143	0.7
67.05508	6.1
68.05022	1.2
69.07066	3.5
71.08623	1.0
72.04527	8.9
72.04866	1.1
74.02435	5.5
74.06077	1.8
79.05503	1.6
81.03448	0.8
81.07068	7.0
82.06596	0.7
83.08641	0.9
84.04505	4.7
85.02875	0.8
86.06051	4.8
88.03990	6.3
88.23733	0.8
89.33639	0.7
90.05558	19.7
91.05498	1.0
93.07038	3.0
94.07323	0.7
95.08577	6.6
96.04487	1.5
97.06543	0.9
97.10230	1.2
98.06045	1.7
98.98468	3.7
100.03971	0.9
102.05551	13.3
105.07007	1.0
106.77495	0.7
107.08623	1.4
109.10172	3.4
114.05524	17.1
116.03420	1.5
116.07101	5.3
118.05021	13.4
119.08588	1.3
121.10168	1.6
124.03967	0.8
128.07043	1.5
130.05019	1.1
131.40852	0.8
132.06569	33.1
133.10104	1.0
134.08116	8.1
135.11722	0.9
136.06085	6.3
142.05011	4.7
148.06076	1.6
156.30055	0.7
160.06042	9.5
173.02144	0.9
177.85867	0.8
178.07101	20.0
218.04440	0.9
292.09714	0.9
300.49246	0.7
317.10532	1.1
320.09265	4.4
321.09970	4.2
334.10806	1.5
334.27316	1.2
335.11560	4.8
336.26010	6.6
348.08575	7.5
352.28659	1.0
362.10239	12.0
374.17389	1.2
376.11664	9.1
402.16708	5.2
404.14972	1.6
416.29984	6.8
434.19644	60.5
434.31110	100.0
434.79715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30753	0.6
61.72366	0.7
62.66305	0.6
64.26928	0.6
66.09261	0.7
69.03432	0.9
70.06599	0.7
71.68531	0.8
74.06075	0.8
75.26928	0.7
81.03436	1.0
84.08109	1.0
85.02935	2.7
86.09729	0.8
97.02884	1.3
97.14760	0.7
99.04464	0.8
107.04972	7.3
107.33344	0.8
108.05277	3.2
123.04431	1.5
128.07080	3.1
129.07376	1.1
161.06032	3.6
162.06334	1.7
177.13138	0.8
210.22893	0.7
223.33211	0.7
255.10155	1.0
256.10522	3.5
377.02994	0.8
382.64688	0.8
435.12698	100.0
435.18369	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62614	0.9
85.02880	3.5
88.89370	1.1
99.04468	2.4
107.04954	5.5
108.05307	2.1
127.03916	6.2
128.07089	1.2
129.07430	1.0
133.62035	1.1
161.06003	1.3
183.93001	1.0
256.10370	1.3
272.94391	1.1
355.12488	1.1
426.81042	1.4
435.12677	100.0
435.18359	7.3
439.47675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55113	1.1
63.72093	1.0
70.41068	0.9
99.81763	1.2
137.05978	25.5
160.07549	1.1
219.83804	1.1
271.12085	2.2
342.09634	1.2
348.10861	1.3
387.15759	1.7
387.60248	1.2
435.12570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70228	2.2
58.04751	2.0
73.10983	2.3
73.96991	2.7
79.00816	2.9
115.56473	2.5
123.19598	3.4
124.11020	2.8
435.12537	100.0
435.18268	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06828	0.6
70.06594	1.4
71.18040	0.6
74.06073	1.0
78.98070	0.6
85.02892	1.4
85.40040	0.7
90.04052	0.6
99.04445	1.1
112.65444	0.8
134.05954	2.5
136.07520	0.8
147.09410	0.8
164.62027	0.7
175.05824	0.8
175.07310	0.9
176.46712	0.7
178.05006	0.9
180.08598	1.0
435.14655	100.0
443.64114	0.8
452.68332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1844
Annotation	Olaparib
Peak:m/z	Relative Intensity
53.27883	1.1
58.77688	1.1
59.38261	1.1
69.03428	3.1
81.95420	1.3
85.02914	8.0
97.02905	1.5
107.04958	61.2
107.05679	2.8
108.05299	26.5
121.06519	1.8
123.04456	10.9
124.04755	2.5
127.03928	2.1
143.04919	2.2
144.05188	1.5
145.06487	3.1
146.06850	7.1
161.05962	18.5
162.06302	15.9
175.79787	1.4
210.10037	1.7
220.14075	2.2
238.09531	1.4
255.10197	11.0
256.10492	28.2
271.11612	6.0
272.09222	1.7
272.12512	3.0
273.09494	8.4
273.13080	9.8
354.55237	1.3
394.83264	1.7
435.18442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17738	0.8
53.03944	0.9
58.06599	0.8
58.62013	0.8
69.03413	4.6
70.06626	1.0
79.05495	17.9
81.03416	5.7
81.07063	65.9
84.50403	0.9
84.79256	1.0
85.02905	8.5
85.06546	48.6
97.02882	8.9
97.50973	1.0
99.04457	9.2
107.04941	1.2
109.02878	12.2
109.06504	1.2
113.42223	1.1
121.06521	1.2
125.05990	100.0
127.03932	12.1
145.04976	1.2
147.04356	1.7
153.05464	78.3
171.06511	27.2
177.05449	1.1
198.91081	1.0
215.75076	1.1
234.99014	5.4
279.08627	9.2
282.57565	1.2
282.70514	1.0
297.09683	19.8
315.10687	32.4
381.15100	1.2
435.17599	2.4
435.23505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	1.4
56.04101	1.2
69.07026	1.4
70.12296	1.2
70.49798	1.1
75.57972	1.3
81.07040	1.6
95.08613	2.2
98.98468	2.4
109.06536	1.6
126.30659	1.5
143.24228	1.5
145.10112	1.8
146.09737	1.3
155.01004	2.4
155.06949	1.8
163.76501	1.3
200.11879	1.3
219.07858	1.8
224.12527	1.7
225.16307	1.4
299.69061	1.3
329.32510	2.2
336.12344	2.6
435.21475	100.0
435.35321	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.6
56.47402	0.8
59.04861	1.8
59.78606	0.8
60.05660	8.1
70.06596	40.9
71.04999	1.5
79.13809	0.9
85.02906	1.5
86.09703	3.3
87.07980	19.2
88.07619	1.6
90.27637	0.9
91.46786	0.8
107.04978	1.3
108.05271	0.9
112.08746	23.0
115.08721	2.1
116.07085	1.5
119.06899	1.0
129.11340	0.9
136.07611	3.6
138.09175	0.8
140.08208	5.5
153.10255	5.3
157.10878	7.8
164.07077	1.0
166.08627	2.1
167.08939	1.5
180.11328	3.6
181.09752	2.0
195.12442	15.6
206.09248	1.3
214.16658	1.2
215.13925	3.6
223.11885	3.4
240.14671	1.4
241.12933	9.4
257.17068	1.3
258.15607	19.3
288.15460	3.7
301.16074	1.9
322.15384	1.0
329.19571	2.0
354.21332	9.2
371.24042	26.1
389.80420	1.0
435.14566	26.5
435.23810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31379	1.0
52.44823	1.3
55.05524	11.2
57.03450	10.5
57.07072	6.3
57.28178	1.0
63.19758	1.0
67.05508	33.3
69.07069	23.6
69.50108	1.1
70.82505	1.2
71.04996	1.5
71.08630	1.4
79.05497	7.2
81.06621	2.0
81.07064	42.1
83.08623	14.8
85.10174	1.3
91.05492	6.9
93.07039	11.7
95.08603	40.2
97.06538	2.4
97.10175	10.4
98.98467	45.6
105.07011	5.6
107.08603	8.9
109.10167	23.3
111.11727	1.7
113.09665	1.5
119.08566	6.3
121.10141	9.0
123.11678	7.0
133.10129	7.0
135.11719	3.1
137.13205	2.8
140.10690	2.7
147.11694	3.3
149.13280	2.2
151.14842	2.1
155.01054	17.8
161.13193	2.7
163.14835	1.9
172.18126	1.4
173.02092	8.5
245.22664	6.8
263.23721	24.6
272.50562	1.4
337.27344	100.0
371.21759	1.4
417.24310	1.7
435.24991	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.67249	2.5
52.80116	2.2
55.05515	17.0
57.03445	11.7
57.07079	5.2
62.08689	3.3
67.05515	54.2
69.07073	26.5
69.19037	2.9
71.08617	5.1
79.05500	17.6
81.03414	4.2
81.07062	75.8
83.08624	18.1
90.74875	2.6
90.93325	2.4
91.05470	6.6
93.07027	21.3
95.08604	75.6
97.06531	5.4
97.10162	11.3
98.98469	100.0
105.07037	4.6
107.08595	19.8
109.10163	40.7
111.08092	3.3
119.08577	7.3
121.10117	17.8
123.11681	14.2
133.10129	15.8
135.11684	13.0
137.13245	13.5
147.11679	13.4
151.14827	6.7
155.01038	90.6
155.02214	5.6
161.13306	6.5
163.14828	4.6
165.16357	3.7
173.02101	11.8
175.14854	5.3
178.62112	2.8
190.59433	3.2
245.22601	20.2
263.23718	89.4
275.46857	3.3
337.27353	68.2
417.24072	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50534	2.9
52.89405	2.4
55.05520	8.4
57.03444	7.4
57.07085	5.1
67.05520	48.3
69.07088	30.4
71.05019	3.4
71.08627	4.1
78.29170	3.3
79.05501	7.3
81.07063	79.2
83.08639	21.1
91.05484	5.8
93.07040	16.9
95.08622	81.2
97.10170	13.5
98.98467	100.0
105.07056	6.3
107.08590	17.5
109.10168	39.1
119.08574	7.6
121.10142	17.7
123.11697	14.1
126.45203	3.4
133.10127	8.1
135.11703	6.5
137.76663	4.1
142.25562	3.6
147.11659	4.4
155.01045	88.8
161.13350	3.8
173.02011	5.0
181.16045	3.7
184.69957	3.2
186.31898	3.0
218.50314	4.0
245.22635	21.5
263.23669	82.1
337.27493	57.5
352.21613	17.2
380.16592	3.7
394.22339	5.8
417.24088	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
55.07454	3.0
55.18672	3.7
57.03442	6.6
58.66077	3.8
67.05512	54.1
69.07073	32.9
72.27137	3.8
74.53818	3.5
77.27802	3.2
79.05492	15.7
80.01183	3.1
81.07063	65.8
83.08619	17.0
90.08406	3.2
91.05472	15.0
93.07039	21.8
95.08614	82.9
97.06532	6.0
97.10170	9.2
98.98459	100.0
105.06191	3.6
105.06963	4.3
107.08619	16.7
109.10176	46.4
110.41001	3.6
111.88288	3.6
119.08572	7.8
121.10157	17.0
123.11681	8.9
130.90367	4.1
133.10150	8.9
135.11678	13.9
137.13266	7.0
138.05803	3.4
147.11732	5.6
149.13327	6.4
155.01042	97.5
157.43048	4.5
161.13298	4.4
173.02142	4.2
173.45914	4.3
245.22659	34.4
263.23648	73.3
314.07767	3.8
330.59073	3.5
334.34009	4.0
337.27307	78.8
346.64105	3.9
352.21408	8.6
410.37659	4.1
417.24026	16.2
435.24069	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.22922	4.3
55.05526	11.5
57.03443	8.8
57.07074	9.8
67.05511	71.4
69.07066	29.6
77.45474	5.1
77.64001	4.7
79.05490	29.2
81.07066	93.4
83.08611	34.0
85.06538	7.8
91.05463	14.1
93.07036	41.0
95.08607	100.0
97.10213	6.1
98.98475	98.8
105.07016	12.3
107.08598	31.5
109.10171	45.5
119.08575	29.4
121.10126	12.7
123.08084	6.4
133.10191	11.9
135.11667	8.4
143.11122	6.0
145.10100	9.3
147.11699	11.9
155.01041	96.3
161.13112	6.3
173.02083	12.9
214.17740	6.3
216.56129	5.7
223.04617	6.0
245.22708	8.8
263.23645	84.2
304.48514	5.8
337.27435	82.7
348.65695	6.0
379.93060	6.4
384.59320	6.1
417.23849	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84824	4.1
71.00542	3.9
93.07016	7.3
104.63998	4.7
107.08598	25.3
114.97230	4.4
119.32298	4.2
121.06475	4.5
127.19537	4.1
133.10100	39.7
135.11659	7.4
138.61801	4.2
145.12263	5.8
161.09628	27.2
179.10651	100.0
246.96352	5.3
318.59335	5.3
361.58215	5.0
404.22696	5.3
435.34680	20.7
439.55014	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.5
58.72290	2.7
60.67381	2.8
65.03947	3.0
67.05513	44.2
69.07063	15.4
71.07751	3.4
71.60207	2.5
79.05513	27.6
81.07066	54.2
83.08618	15.7
91.05471	23.4
93.07043	45.2
95.04943	12.8
95.08614	49.2
97.06541	5.8
97.10145	5.3
98.98450	4.0
105.07036	37.8
107.08580	24.1
109.10154	19.5
111.04425	7.3
111.08041	3.2
117.07014	13.3
119.08586	34.7
121.02909	4.1
121.10159	35.7
123.11726	5.8
129.06996	3.1
131.08557	49.6
133.10130	19.1
135.11696	25.2
137.02412	3.8
141.07076	3.8
143.08559	13.9
145.10126	35.8
147.11696	6.6
149.13260	16.8
151.11176	4.5
155.08563	5.6
157.10114	15.1
159.11685	15.8
163.11070	3.3
169.10226	3.7
171.11681	5.8
173.13315	13.4
185.13222	5.1
211.14911	7.4
243.21046	6.5
257.19009	5.0
261.22156	22.4
279.22992	3.4
284.78485	3.8
365.28412	17.3
382.30817	15.7
383.29404	24.3
400.32129	31.6
401.30396	11.8
417.34631	20.9
418.33051	22.6
435.16287	22.0
435.27463	7.9
435.35794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66987	0.5
56.05044	8.3
57.04826	0.7
59.20918	0.6
67.05505	6.4
69.07076	7.1
71.00009	0.7
71.08632	0.9
76.14066	0.6
79.05469	0.7
80.39982	0.7
81.07062	3.2
83.08633	0.8
89.06027	0.9
91.05503	1.1
93.07047	3.4
95.08608	4.9
97.10153	1.4
98.98492	2.6
109.10161	14.3
111.11745	1.4
116.93193	0.6
119.08566	1.5
121.10137	1.0
136.11208	1.1
137.09639	4.5
140.10658	0.9
145.12267	0.8
154.12270	100.0
155.01103	0.9
155.07048	1.3
171.13428	1.5
171.14923	44.5
233.66606	0.8
263.23865	1.0
301.51352	0.7
417.33444	2.7
418.36835	2.9
435.33508	3.8
435.39368	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63193	0.5
53.99855	0.4
56.05046	8.6
57.07079	0.9
58.06601	0.8
61.57252	0.5
66.02170	0.5
66.94561	0.5
67.05514	4.7
67.05796	0.4
68.60808	0.5
69.07068	4.2
70.06606	0.8
81.07067	1.0
83.08642	0.8
83.64706	0.6
91.05470	0.9
93.07024	1.2
95.08611	3.7
95.72738	0.6
97.10143	0.8
98.98471	2.3
109.10168	12.7
111.11727	1.5
119.08587	2.3
121.10172	0.6
132.10236	2.6
136.11214	2.7
137.08638	0.6
137.09647	3.7
140.10735	1.1
154.12265	100.0
157.13345	0.7
161.27118	0.7
171.14915	44.1
181.09775	0.7
182.92484	0.8
264.44998	0.7
299.31412	1.0
324.19397	0.8
343.34055	5.5
358.57343	0.7
418.36865	4.3
435.39215	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11878	0.5
53.93477	0.6
78.88615	0.7
90.47303	0.6
94.65191	0.8
200.55606	0.9
223.06023	4.6
320.08975	1.3
336.12479	0.8
405.62625	0.8
418.08374	1.4
436.09961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90161	0.4
55.46778	0.3
59.08461	0.3
66.10997	0.3
70.37717	0.4
84.60703	0.3
99.04599	0.6
138.61024	0.4
147.04582	0.6
175.03976	0.7
207.06589	0.9
292.09717	3.9
304.87418	0.4
318.07547	0.7
320.09158	100.0
322.10742	3.3
334.10590	1.5
436.09891	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90161	0.4
55.46778	0.3
59.08461	0.3
66.10997	0.3
70.37717	0.4
84.60703	0.3
99.04599	0.6
138.61024	0.4
147.04582	0.6
175.03976	0.7
207.06589	0.9
292.09717	3.9
304.87418	0.4
318.07547	0.7
320.09158	100.0
322.10742	3.3
334.10590	1.5
436.09891	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21922	0.6
62.90649	0.6
67.69243	0.6
85.02917	1.0
89.15292	0.8
107.04918	6.9
108.08044	0.7
155.01477	0.7
216.94569	0.7
243.71864	0.8
293.06763	1.3
305.09128	1.8
306.07620	6.9
307.08316	1.1
308.09219	0.8
319.10962	0.9
321.08691	16.3
322.07101	4.8
330.09897	1.2
331.10730	4.8
332.07712	1.4
333.08682	15.8
334.09384	1.1
334.41858	0.9
345.08643	0.8
346.09445	4.2
347.06564	2.5
347.10272	23.1
348.08774	0.8
349.11832	1.3
358.09470	2.8
373.08286	3.7
374.08905	4.1
375.09738	35.2
392.12469	1.3
419.08655	25.6
436.11340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00277	0.2
50.32571	0.2
57.73967	0.2
62.45638	0.3
70.80438	0.2
78.51625	0.2
79.62775	0.2
166.43260	0.3
290.08160	0.3
292.09674	3.2
318.07748	0.4
320.09174	100.0
323.11072	0.4
336.12274	0.4
338.13531	0.6
350.10577	0.3
436.13831	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09510	0.6
90.46563	0.6
100.09814	0.8
106.80192	0.7
109.10151	1.0
132.95239	0.8
187.07555	0.9
190.79976	0.8
259.70624	0.7
292.09619	3.3
304.09689	1.0
306.07614	1.6
320.05420	1.1
320.09164	27.4
321.09918	9.0
322.10291	4.0
323.11380	1.1
330.11401	1.2
332.09039	1.2
334.10883	1.1
335.07733	3.0
336.12314	14.0
337.12524	1.4
338.13687	7.0
344.09097	3.8
344.22128	1.3
346.10812	1.6
348.08704	15.2
350.10312	6.0
352.15405	1.7
358.10590	2.8
360.08353	1.6
360.12277	6.2
361.09293	1.4
362.10214	42.4
376.11740	6.1
377.12619	1.0
378.09561	1.0
390.13623	5.2
404.11334	9.5
406.09183	8.8
421.11380	1.6
436.13773	100.0
436.20721	6.2
436.26871	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00277	0.2
50.32571	0.2
57.73967	0.2
62.45638	0.3
70.80438	0.2
78.51625	0.2
79.62775	0.2
166.43260	0.3
290.08160	0.3
292.09674	3.2
318.07748	0.4
320.09174	100.0
323.11072	0.4
336.12274	0.4
338.13531	0.6
350.10577	0.3
436.13831	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81292	0.3
58.06585	0.4
61.54321	0.3
71.16789	0.3
85.02901	0.3
96.07961	0.3
121.06513	0.3
176.07059	0.4
219.94847	0.3
274.07153	0.3
292.09601	3.1
294.07684	1.1
318.07596	0.4
320.09164	100.0
322.07150	0.3
323.07870	4.7
337.09421	0.7
338.10178	14.4
364.11481	0.4
364.22836	0.4
371.25278	0.4
377.67932	0.3
390.13165	0.5
436.13892	33.7
436.23517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33945	0.3
84.43250	0.3
104.19839	0.3
109.08880	0.3
202.52383	0.3
224.93614	0.4
254.04834	0.4
289.11063	0.6
301.10831	2.7
304.13449	1.8
316.09827	1.6
317.10577	2.5
320.09036	0.7
320.20184	0.8
329.10446	0.9
330.11273	0.4
331.11829	3.0
332.09103	6.1
332.12875	7.3
334.14609	0.4
336.12332	0.6
338.10135	0.6
344.09058	3.5
345.10013	0.6
346.10837	3.6
347.11609	1.9
357.09991	7.9
358.06766	0.4
358.10745	2.1
359.11487	26.5
360.08524	8.4
360.12341	25.5
361.13138	1.7
362.13779	1.9
372.12360	0.4
374.10278	2.2
375.11008	36.4
390.13339	100.0
408.14462	2.8
418.12823	28.6
418.27466	6.2
436.09131	0.7
436.14267	1.3
436.28339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82045	0.4
67.05515	0.6
77.86839	0.6
102.86988	0.7
132.47781	0.5
220.88280	0.6
223.36028	0.6
235.09703	0.8
301.10989	3.8
304.13382	1.2
316.09647	0.8
317.10541	0.9
320.09189	3.7
329.10559	1.1
330.11188	0.8
331.12057	4.3
332.09082	7.7
332.12845	5.5
336.12286	2.4
344.09131	3.0
346.10687	3.9
347.11450	1.2
357.09982	8.4
358.10687	1.1
359.07260	1.2
359.11499	26.0
360.08545	9.1
360.12320	25.8
361.12912	1.2
362.13739	2.2
374.10162	2.8
375.06198	1.4
375.11005	35.6
390.13345	100.0
408.14520	2.0
418.12817	26.0
436.09030	1.3
436.14279	2.0
436.21384	0.7
452.71478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19477	0.4
58.06601	0.9
69.03442	0.8
70.15189	0.4
77.96801	0.5
101.30992	0.5
115.03905	0.7
119.29944	0.4
121.06517	0.9
134.06064	0.5
134.20392	0.4
141.88477	0.5
163.06229	0.5
170.08130	0.5
173.52397	0.5
176.63745	0.6
178.08545	0.9
188.07091	0.6
190.09862	1.0
203.09457	0.8
210.13628	0.6
212.54198	0.5
234.08713	0.7
294.07535	12.4
306.07562	1.9
308.05432	6.4
310.14221	0.6
318.07568	0.5
319.08395	2.3
320.09290	4.9
321.28326	0.6
322.07043	7.9
322.10675	2.8
323.07883	38.5
323.11099	1.6
334.10684	5.1
336.12363	0.7
337.12787	0.8
338.10214	100.0
436.13214	40.0
436.18695	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04776	0.8
62.47946	0.9
66.74256	0.9
67.42310	0.8
96.43463	1.0
161.05859	1.1
167.06927	1.1
176.06929	4.3
182.76053	1.0
191.51678	1.1
197.33786	1.1
292.09494	1.7
307.08185	4.0
308.05460	1.5
308.08923	5.0
316.32034	1.3
318.07602	1.5
320.09186	46.4
320.12680	2.1
321.09732	3.7
322.06836	1.8
323.07843	1.6
331.08145	1.2
332.09137	28.3
334.10413	8.0
336.12274	51.6
338.09882	6.4
338.13461	4.0
344.08890	4.3
346.06714	7.2
346.10605	5.4
348.12219	11.9
360.08655	36.2
361.09479	31.4
370.98904	1.1
376.11765	40.3
392.10938	6.0
406.08630	2.6
418.15366	1.2
420.10321	5.3
436.13428	100.0
436.20874	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09510	0.6
90.46563	0.6
100.09814	0.8
106.80192	0.7
109.10151	1.0
132.95239	0.8
187.07555	0.9
190.79976	0.8
259.70624	0.7
292.09619	3.3
304.09689	1.0
306.07614	1.6
320.05420	1.1
320.09164	27.4
321.09918	9.0
322.10291	4.0
323.11380	1.1
330.11401	1.2
332.09039	1.2
334.10883	1.1
335.07733	3.0
336.12314	14.0
337.12524	1.4
338.13687	7.0
344.09097	3.8
344.22128	1.3
346.10812	1.6
348.08704	15.2
350.10312	6.0
352.15405	1.7
358.10590	2.8
360.08353	1.6
360.12277	6.2
361.09293	1.4
362.10214	42.4
376.11740	6.1
377.12619	1.0
378.09561	1.0
390.13623	5.2
404.11334	9.5
406.09183	8.8
421.11380	1.6
436.13773	100.0
436.20721	6.2
436.26871	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42171	0.6
63.33607	0.9
66.10571	0.7
67.05501	1.1
99.04431	4.6
99.08078	0.8
103.62963	0.7
107.52888	0.8
109.10061	0.7
124.46444	0.9
125.09642	1.4
160.71159	0.7
167.06909	0.9
173.83891	0.8
209.08069	1.1
210.63643	0.8
277.21515	1.4
294.07706	0.9
295.08286	3.8
306.07697	1.6
307.08408	1.3
320.08972	5.8
322.10498	1.0
323.07916	17.3
323.11441	1.6
333.37833	0.8
336.12302	5.1
338.10229	100.0
338.13678	3.7
408.14587	18.3
436.13757	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04776	0.8
62.47946	0.9
66.74256	0.9
67.42310	0.8
96.43463	1.0
161.05859	1.1
167.06927	1.1
176.06929	4.3
182.76053	1.0
191.51678	1.1
197.33786	1.1
292.09494	1.7
307.08185	4.0
308.05460	1.5
308.08923	5.0
316.32034	1.3
318.07602	1.5
320.09186	46.4
320.12680	2.1
321.09732	3.7
322.06836	1.8
323.07843	1.6
331.08145	1.2
332.09137	28.3
334.10413	8.0
336.12274	51.6
338.09882	6.4
338.13461	4.0
344.08890	4.3
346.06714	7.2
346.10605	5.4
348.12219	11.9
360.08655	36.2
361.09479	31.4
370.98904	1.1
376.11765	40.3
392.10938	6.0
406.08630	2.6
418.15366	1.2
420.10321	5.3
436.13428	100.0
436.20874	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26250	0.5
58.06596	0.8
59.82546	0.4
61.21304	0.5
73.65820	0.4
75.49200	0.5
108.08115	0.9
114.54308	0.6
121.06488	1.1
136.43843	0.5
139.54214	0.6
148.01445	0.6
152.07047	0.9
164.07071	1.2
199.81532	0.6
258.21201	0.5
292.09549	3.9
294.07596	2.4
308.05414	0.7
320.09171	100.0
322.07150	1.2
323.07941	9.8
332.12924	0.6
337.09424	1.1
338.10187	31.5
338.13620	1.3
390.13440	2.1
400.85730	0.6
408.10565	1.3
436.13803	45.9
436.22604	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04776	0.8
62.47946	0.9
66.74256	0.9
67.42310	0.8
96.43463	1.0
161.05859	1.1
167.06927	1.1
176.06929	4.3
182.76053	1.0
191.51678	1.1
197.33786	1.1
292.09494	1.7
307.08185	4.0
308.05460	1.5
308.08923	5.0
316.32034	1.3
318.07602	1.5
320.09186	46.4
320.12680	2.1
321.09732	3.7
322.06836	1.8
323.07843	1.6
331.08145	1.2
332.09137	28.3
334.10413	8.0
336.12274	51.6
338.09882	6.4
338.13461	4.0
344.08890	4.3
346.06714	7.2
346.10605	5.4
348.12219	11.9
360.08655	36.2
361.09479	31.4
370.98904	1.1
376.11765	40.3
392.10938	6.0
406.08630	2.6
418.15366	1.2
420.10321	5.3
436.13428	100.0
436.20874	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.05052	0.9
57.03435	1.7
58.06586	2.1
58.70686	0.8
61.02927	2.1
62.62158	0.8
67.21286	0.9
69.03436	9.1
72.96598	0.9
76.53160	0.9
81.03419	3.8
85.02424	1.6
85.02904	22.8
87.04469	4.0
91.03947	0.9
91.05502	1.1
97.02894	9.8
99.04430	1.7
107.04977	1.2
114.05531	1.0
118.06523	22.7
123.04424	46.2
123.05537	25.9
127.03901	5.6
130.05011	1.8
135.04428	5.2
137.05971	4.1
138.05542	2.2
145.04942	1.0
146.06001	50.2
147.04428	22.8
152.07066	66.3
153.05458	16.3
162.05524	1.4
164.07056	65.0
165.72798	1.0
211.07539	8.3
212.71948	1.1
221.06015	1.3
239.07028	22.0
249.69685	0.9
257.08060	48.6
274.08023	1.7
274.10727	63.3
436.16006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.3
62.31142	0.3
84.86356	0.3
89.98788	0.3
90.86995	0.3
97.02906	0.4
99.04420	0.5
107.04948	0.3
137.05994	0.7
139.11298	0.3
167.07062	1.7
167.13470	0.3
176.07054	100.0
178.42355	0.3
228.15269	0.4
241.43916	0.3
270.05276	0.6
285.07422	4.3
290.73007	0.4
313.07108	0.6
353.89008	0.4
373.08221	0.3
436.15912	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21042	0.4
58.75215	0.4
70.12991	0.5
70.28198	0.4
78.48040	0.4
79.33115	0.5
86.97826	0.5
122.41681	0.5
122.42554	0.6
152.07214	0.5
294.11246	12.0
304.06015	0.8
306.11288	2.3
308.09174	7.0
318.07611	2.0
319.08347	8.0
320.09085	3.4
322.10709	13.3
323.11517	36.5
334.10782	11.8
336.12109	0.5
338.13843	100.0
359.29349	0.6
436.17776	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74092	0.4
67.86102	0.6
71.92913	0.5
90.29461	0.6
103.20751	0.7
119.42692	0.5
124.85386	0.6
162.66110	0.6
163.14279	0.6
206.83484	0.5
294.11230	11.1
306.11206	1.3
308.09015	4.0
322.10718	12.0
323.11502	35.0
338.13837	100.0
364.77277	0.6
369.52811	0.7
436.17578	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13933	0.3
58.58735	0.3
60.15140	0.4
67.29016	0.4
71.48103	0.3
74.85137	0.5
94.88338	0.4
101.88622	0.3
189.90125	0.4
198.52306	0.5
211.45139	0.4
231.83740	0.4
237.07410	0.4
277.10931	0.5
294.11191	9.9
306.11203	2.0
307.08438	0.5
308.09167	4.8
308.12521	0.6
322.10703	11.9
323.11496	34.7
336.12372	1.5
337.12793	0.6
338.13828	100.0
352.15390	0.8
436.17551	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69539	0.2
62.87667	0.1
73.43982	0.2
81.34506	0.2
91.48775	0.2
102.13173	0.2
114.92205	0.2
117.97207	0.2
125.42530	0.2
139.56871	0.2
150.70172	0.2
176.64772	0.2
215.95396	0.2
277.11020	0.3
279.08841	0.2
280.09821	0.3
294.11224	12.0
306.11157	2.0
308.09177	4.9
320.09274	0.3
321.09842	0.2
322.06818	0.3
322.10718	14.1
323.11517	35.1
336.12244	1.6
337.12711	0.8
338.13846	100.0
352.15582	0.7
398.86627	0.2
418.88986	0.2
436.17575	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78774	0.6
61.41599	0.5
67.33806	0.4
68.11454	0.4
71.04008	0.4
74.41382	0.5
75.89162	0.5
81.69771	0.5
85.63123	0.4
88.79064	0.5
96.43857	0.5
110.70662	0.6
113.64715	0.6
114.48064	0.6
118.87935	0.5
153.53854	0.6
196.95134	0.5
207.83907	0.5
294.07672	2.7
294.11209	10.1
306.07562	0.7
306.11081	1.2
308.05862	1.5
308.09164	6.2
319.08374	2.7
320.09174	6.6
322.07083	1.4
322.10602	12.7
322.14114	0.8
323.07870	6.3
323.11432	34.3
334.10712	7.4
336.12216	1.1
338.10165	15.9
338.13809	100.0
353.15796	3.6
436.17957	37.2
446.74966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89800	0.3
57.14053	0.4
71.37058	0.4
79.51725	0.4
128.67348	0.5
141.43886	0.5
294.11264	12.9
306.11301	1.2
307.56735	0.6
308.09137	4.0
319.08182	0.6
322.10742	10.5
323.11539	34.9
334.10684	2.7
338.13849	100.0
436.17630	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90648	0.3
59.02922	0.2
59.30711	0.3
60.45876	0.3
60.65279	0.2
64.16328	0.3
87.47246	0.3
98.08486	0.3
128.71912	0.3
140.05745	0.4
279.08615	0.5
293.10300	0.4
294.11197	13.1
306.11234	2.6
308.09149	4.4
320.09113	4.2
321.09695	0.4
322.10660	13.7
323.11484	36.7
334.10944	0.4
336.12366	1.9
337.12717	2.4
338.13824	100.0
352.15326	0.4
436.17526	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44149	0.3
72.51358	0.3
79.08519	0.3
94.05044	0.3
109.67641	0.3
122.23685	0.4
126.70171	0.3
143.73973	0.3
248.54840	0.3
280.09335	0.4
294.11227	10.3
306.11176	2.1
308.09143	4.9
322.10684	12.1
323.11490	36.6
338.13828	100.0
352.15222	0.8
436.17551	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09964	0.3
62.84324	0.4
77.09492	0.4
92.21502	0.5
102.85489	0.4
161.60860	0.4
173.21031	0.4
194.51091	0.4
198.96370	0.4
203.65456	0.4
279.08817	0.5
294.11246	11.5
306.11102	2.5
308.09149	4.9
322.10696	15.1
323.11508	39.8
336.12228	2.5
337.13080	2.9
338.13846	100.0
340.77856	0.4
352.15454	3.9
436.17542	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12164	0.3
57.84421	0.2
63.83158	0.3
75.23782	0.3
99.80058	0.3
116.69096	0.3
144.65498	0.4
205.97923	0.3
266.07651	0.4
279.08813	0.4
280.09448	0.5
294.11249	10.3
306.11261	1.9
308.09073	4.3
319.08481	1.6
322.10748	12.4
323.11514	36.0
334.10681	3.3
336.12329	1.2
338.13846	100.0
373.52344	0.3
434.94434	0.4
436.17606	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44635	0.3
65.72468	0.3
66.60815	0.3
87.77305	0.4
106.17902	0.3
121.73697	0.4
202.94659	0.4
293.06351	0.4
294.11243	10.5
306.11145	2.5
307.56683	0.3
308.09152	4.2
320.42834	0.4
321.10004	0.4
322.10733	12.8
323.11487	35.7
336.12335	0.8
337.12637	1.9
338.13828	100.0
352.15530	0.4
353.73349	0.5
408.13239	0.4
436.17514	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13933	0.3
58.58735	0.3
60.15140	0.4
67.29016	0.4
71.48103	0.3
74.85137	0.5
94.88338	0.4
101.88622	0.3
189.90125	0.4
198.52306	0.5
211.45139	0.4
231.83740	0.4
237.07410	0.4
277.10931	0.5
294.11191	9.9
306.11203	2.0
307.08438	0.5
308.09167	4.8
308.12521	0.6
322.10703	11.9
323.11496	34.7
336.12372	1.5
337.12793	0.6
338.13828	100.0
352.15390	0.8
436.17551	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50000	0.8
59.84393	0.9
61.79905	0.9
64.09712	0.9
68.05492	0.9
69.98499	0.8
88.80375	0.9
92.33434	0.9
103.05522	1.1
104.92239	0.9
110.20341	1.0
123.41296	1.0
131.04953	4.5
143.08588	2.2
149.06017	4.1
150.06760	1.7
151.07637	1.0
154.49773	1.1
158.06032	1.7
159.04424	1.6
161.05954	9.4
163.07513	1.0
163.70566	1.1
165.09105	8.0
172.08881	6.3
173.05991	2.3
176.07103	5.3
178.08691	2.1
183.41158	1.0
188.07010	2.6
188.08369	22.7
189.05446	14.9
203.10667	32.1
204.06570	44.6
205.96724	1.0
206.08151	16.8
216.06581	1.7
217.05025	4.4
230.09325	1.1
234.07661	4.2
272.09088	1.3
278.28259	1.1
320.09186	10.0
321.10010	1.7
336.12277	10.8
338.10135	1.5
419.14719	2.0
436.17587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62752	0.3
62.99304	0.3
66.32922	0.3
89.00877	0.3
92.20854	0.4
103.99312	0.3
152.08113	0.3
163.82819	0.3
279.08990	0.4
280.09604	0.3
294.07733	0.7
294.11203	11.3
306.11133	1.9
308.05664	0.4
308.09076	6.2
319.08344	1.4
320.09189	3.7
321.09732	0.3
322.07281	0.8
322.10681	13.1
323.08038	2.5
323.11484	36.5
334.10727	4.5
336.12399	2.0
338.10367	5.8
338.13828	100.0
436.17709	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31570	0.8
81.07039	1.4
83.09430	1.3
86.09719	2.2
86.35354	1.1
87.32900	1.1
91.05532	0.9
92.35255	0.9
96.49793	1.0
99.32632	1.1
104.10744	7.3
105.08668	0.9
121.06478	1.1
129.07018	7.1
133.06593	1.0
142.98573	1.0
150.06863	1.0
151.07556	7.0
157.06480	43.9
165.09087	7.7
174.06729	1.9
176.06966	1.1
177.09099	20.5
184.07341	6.9
187.07556	14.7
189.07758	1.3
190.06290	1.6
191.09506	1.1
194.11789	8.1
204.10233	4.7
205.08609	39.5
211.07762	1.2
213.09201	1.2
220.09677	36.4
221.41092	1.0
222.11264	12.8
232.09764	1.9
233.08067	8.7
250.10753	4.4
253.04953	1.7
320.09155	18.9
336.12280	12.3
338.10165	2.2
376.12033	4.8
386.11325	1.3
391.15405	4.4
404.07690	1.6
404.12631	1.7
419.15033	7.9
436.17575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88165	1.1
57.07077	2.8
61.88161	0.9
66.10639	0.9
67.05482	1.3
69.07067	1.3
78.58519	1.2
80.93079	1.2
81.07030	1.3
81.94103	1.1
82.44558	1.0
89.06036	9.2
90.06360	2.0
95.08617	1.9
98.98460	1.9
99.40890	1.1
107.07046	1.1
111.04423	2.7
145.12279	1.6
146.12552	1.3
155.01089	1.8
155.07033	7.3
156.07379	2.5
163.13220	2.5
164.13663	1.2
172.03929	4.7
175.25073	1.3
190.04987	100.0
218.04507	7.0
257.13190	1.3
335.18777	9.7
338.10211	5.4
338.27570	1.5
353.19934	5.1
365.12503	1.7
376.11594	1.9
418.16360	18.0
436.17291	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76152	0.7
66.27375	0.7
69.03310	0.7
69.84592	0.7
78.20889	0.8
92.21576	1.1
119.81657	0.8
120.08092	1.4
131.04958	4.2
135.04433	1.0
149.05954	17.8
161.06033	6.1
176.07071	74.2
178.08638	8.1
185.09634	17.3
213.09062	6.7
243.10150	41.9
243.12691	1.4
271.09717	8.4
320.09171	29.3
329.11731	1.3
336.11905	1.1
344.10315	1.3
360.08951	1.6
360.13568	1.6
361.09476	3.6
376.11926	3.9
436.17679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27185	0.5
57.12874	0.5
59.26165	0.5
64.52863	0.5
70.30036	0.5
82.75710	0.6
108.05350	0.6
135.61552	0.5
159.97247	0.5
168.07310	0.6
176.07082	1.0
189.05450	0.8
193.63118	0.7
243.10252	0.6
292.09595	6.3
314.13745	0.7
320.09161	100.0
321.09937	16.5
322.10303	3.8
323.11371	2.4
334.10626	0.8
336.12283	50.2
337.12827	3.3
338.13708	6.9
352.15466	3.9
359.14297	0.6
392.11331	1.0
418.16595	1.1
436.17505	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55117	0.8
53.04310	0.6
53.86378	0.7
55.07335	0.6
58.58657	0.7
62.99366	0.7
66.25494	0.6
67.56422	0.8
76.09276	0.7
108.62873	0.8
111.78819	0.8
135.64253	0.7
149.05980	1.6
172.08855	4.4
173.09468	1.0
176.07057	1.7
188.08315	14.0
195.88069	0.7
203.10664	23.1
203.12366	1.4
204.04755	1.6
204.06578	37.2
206.08109	6.5
292.09650	3.8
300.45682	1.0
306.07489	1.4
308.09189	1.0
320.05823	2.1
320.09177	47.4
321.09988	10.3
322.10553	1.1
323.07556	0.9
323.11258	1.5
324.12311	5.2
334.10754	1.3
336.12289	49.8
337.12851	1.4
338.09930	1.8
338.13626	7.0
404.15167	1.7
416.77554	0.8
418.16565	2.9
436.17557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37286	0.7
70.66892	0.7
71.71684	0.7
74.96762	0.7
87.59808	0.7
114.65704	0.7
118.74880	0.7
121.06432	0.7
141.09540	0.9
148.00261	0.7
148.98370	0.9
149.05917	1.1
161.52420	0.7
167.07063	1.2
208.71744	0.8
292.09732	10.3
294.07721	1.2
294.10904	1.7
304.09583	1.0
306.07455	3.8
308.09030	2.7
308.12762	2.7
320.09195	56.0
321.09946	33.6
322.10397	4.1
323.07837	2.4
323.11493	5.4
327.60278	1.0
334.10477	1.0
336.12289	100.0
337.12897	4.6
338.10092	9.3
338.13699	15.4
352.15457	8.2
364.35565	0.9
376.07941	1.2
418.16171	1.1
436.17325	61.1
454.93250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69370	0.4
56.29482	0.4
66.49549	0.3
79.98807	0.4
84.88400	0.4
92.20921	0.5
94.89520	0.4
98.20479	0.4
101.70471	0.5
121.06523	0.7
121.61421	0.4
127.04015	0.4
132.45187	0.4
155.17976	0.4
171.06706	0.5
218.86089	0.4
278.07907	0.5
292.09674	10.3
304.09705	2.1
306.07529	3.7
320.09174	18.6
321.09988	25.1
322.10138	0.7
323.11353	0.9
336.12299	100.0
338.13751	3.3
380.55365	0.5
391.70807	0.4
436.16248	19.7
436.21576	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66616	0.9
72.10297	1.0
75.59277	1.2
105.93442	1.1
131.04910	6.1
148.07616	1.2
149.05974	14.1
155.49187	1.4
157.10063	1.8
161.05991	6.3
176.07057	91.1
178.08656	9.5
185.09610	22.6
213.09042	8.8
215.10678	2.0
243.10144	44.7
257.64874	1.5
271.09610	9.7
292.09555	1.6
307.08511	1.7
308.09152	5.6
320.09134	30.4
321.09711	1.2
322.10626	1.6
332.09235	9.7
336.12051	4.3
338.13599	1.4
343.13339	1.4
344.09808	1.5
346.06979	2.6
346.10767	2.1
359.12848	1.4
360.08652	13.7
360.13446	5.0
361.09445	10.5
376.11850	13.9
436.18024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01155	0.5
76.45805	0.6
176.06978	1.2
220.09546	1.0
287.58514	0.8
292.09799	7.1
304.09576	1.3
306.07611	1.4
320.09171	100.0
321.09973	16.3
322.10342	6.0
323.08438	0.7
323.11465	8.8
336.12277	63.4
337.12668	4.1
338.13812	26.2
352.15424	5.0
418.16208	1.5
436.17117	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04132	0.4
56.31192	0.4
69.41207	0.4
90.11652	0.4
92.20965	0.4
97.57149	0.4
103.05476	0.7
118.21677	0.4
118.80441	0.4
120.08093	1.8
131.04970	3.3
131.05763	0.4
135.04364	1.8
141.06920	0.4
142.32425	0.4
145.39645	0.4
146.06017	0.5
148.07623	1.3
149.05992	15.7
157.10129	2.3
161.05981	5.3
166.36444	0.5
171.08052	0.6
174.05486	1.6
176.07068	88.4
178.08618	7.1
185.09621	20.4
185.11086	0.5
193.04976	0.4
195.08038	0.4
205.35521	0.4
207.47301	0.4
209.08025	0.5
213.09073	8.2
215.10594	1.8
218.08086	0.5
225.09027	0.6
243.10153	43.8
245.08148	0.9
253.08546	0.6
271.09662	10.4
292.09589	0.5
301.12173	0.6
307.08264	0.8
308.09430	0.7
315.13641	0.5
320.09146	20.4
321.09882	0.5
322.10590	0.6
323.11523	1.7
329.11749	0.7
330.08707	0.6
331.09833	0.7
334.10571	0.6
336.12192	2.2
337.12283	0.8
338.13846	2.9
343.13342	1.8
344.10345	2.5
345.11371	0.8
359.12943	2.4
360.09613	0.6
360.13605	4.7
373.14084	0.7
389.13828	0.8
436.17560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13395	0.4
58.40574	0.4
59.29921	0.4
63.13271	0.5
72.10016	0.4
72.39068	0.4
106.16114	0.5
117.09504	0.5
121.06524	0.8
122.45614	0.5
123.04453	1.0
133.06529	0.8
137.17143	0.5
138.01955	0.5
141.54910	0.5
144.75856	0.4
149.05956	0.8
154.70097	0.5
161.05977	1.0
167.07030	100.0
181.08678	1.7
191.07050	1.9
193.08647	1.2
250.37146	0.5
273.11148	1.0
301.10669	2.9
313.10806	2.8
322.10342	0.6
333.13300	2.4
338.10153	6.1
345.13376	9.9
363.14285	5.6
401.15967	15.2
436.14545	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2119
Annotation	Cryogenine
Peak:m/z	Relative Intensity
56.60607	0.8
57.77169	0.7
61.89618	0.8
68.76257	0.7
83.91550	0.8
86.60080	0.9
89.74354	0.8
90.64198	0.9
106.12906	0.9
109.10245	0.9
136.59735	0.8
294.11472	1.5
306.07898	3.6
306.11227	1.3
308.09308	1.7
319.12024	3.4
322.10757	7.5
323.11591	4.4
332.12988	1.7
332.66891	1.0
335.07825	1.0
336.12515	4.8
337.13132	5.8
338.10217	1.7
338.14056	1.0
346.10901	1.7
347.15240	1.4
350.10165	17.4
350.14038	2.7
364.11740	24.2
364.15601	1.6
376.19205	3.7
378.13330	11.9
378.17386	1.6
404.18579	9.3
406.16449	8.6
420.17599	1.0
421.19086	9.5
436.21289	100.0
457.63071	1.1
458.02991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2113
Annotation	Cryogenine
Peak:m/z	Relative Intensity
67.05496	2.1
70.17649	1.0
73.88103	0.9
93.07061	1.2
104.10703	2.2
105.91910	1.0
147.91237	1.1
155.78694	1.0
200.55553	1.2
255.40219	1.2
268.14307	1.3
294.11176	20.2
306.11292	4.0
308.09143	8.6
322.10699	19.7
323.11526	54.6
334.10867	4.6
338.13834	100.0
436.21219	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07433	0.3
56.40984	0.3
56.92448	0.3
130.04811	0.4
139.40981	0.4
145.29460	0.4
150.89322	0.3
266.61487	0.4
292.09665	8.4
304.09705	1.5
306.07629	2.7
320.09158	13.3
321.09952	30.1
322.10541	0.8
323.11395	0.6
335.21472	0.4
336.12296	100.0
337.12772	0.7
338.13745	2.5
352.15549	0.7
353.07510	0.4
436.16498	7.0
436.22018	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.212
Annotation	Cryogenine
Peak:m/z	Relative Intensity
55.87497	0.6
70.98572	0.7
107.04008	0.7
116.60276	0.8
124.02840	1.0
132.74280	0.9
209.97470	0.8
292.09726	9.8
294.11322	1.6
306.07663	3.7
320.09131	15.7
321.09924	31.5
322.10620	4.5
323.11462	6.7
334.10757	1.2
335.11426	1.1
336.12296	100.0
337.12717	2.8
338.13660	20.3
366.44168	0.8
436.21350	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19098	0.7
60.49036	0.7
61.34998	0.7
62.72287	0.7
63.45864	0.8
66.30772	0.7
294.11172	1.8
308.09155	1.4
308.12469	0.9
319.12097	3.3
322.10699	10.0
323.07956	1.6
323.11649	4.3
336.12131	1.5
337.13156	6.2
338.13956	1.3
346.10742	1.2
348.16110	1.7
350.10202	17.1
350.14053	4.2
364.11758	22.7
364.15720	1.5
365.16293	1.4
376.19141	3.2
378.13290	13.7
378.17151	1.3
404.18503	12.1
406.16406	6.9
420.17822	0.9
421.18896	6.2
436.21210	100.0
439.04428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.5
68.67563	1.0
70.28297	0.9
71.90359	1.0
77.01222	1.1
78.11111	1.2
79.05502	1.2
96.33353	1.0
105.31085	1.1
105.71139	1.1
107.04934	6.6
117.05492	94.5
135.08055	100.0
161.09659	1.6
173.09628	11.2
191.10678	4.4
209.11716	53.0
246.59799	1.1
251.12759	26.4
271.90231	1.4
320.09158	7.3
330.03406	1.3
334.10461	1.7
336.12332	23.2
338.10098	2.7
338.13754	2.6
401.19681	14.2
419.20670	2.2
436.13538	4.0
436.21347	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91074	5.6
62.43972	5.0
63.64482	6.3
65.53997	6.6
69.07061	9.6
81.07082	7.3
119.08636	11.1
120.08833	7.0
120.84789	6.9
135.33588	5.9
152.65416	6.3
155.01021	15.2
196.67845	6.1
216.47699	7.0
242.45016	7.1
282.27707	10.3
323.93353	6.8
347.78503	7.7
354.13992	8.0
363.61832	6.5
379.61578	6.6
393.23730	12.7
396.85831	6.7
436.28333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37108	3.0
61.75263	3.0
67.05508	6.6
69.07088	32.2
81.07072	23.3
82.59407	3.1
83.08639	4.9
84.11124	3.7
93.07049	7.9
95.08597	15.8
99.99142	3.5
107.08590	19.0
109.10159	14.0
114.27159	3.2
119.08652	3.7
123.11687	3.4
135.11693	7.8
147.11642	7.1
154.12265	7.4
155.12621	3.8
187.07454	4.6
199.07677	3.8
203.10725	3.7
213.09158	7.7
225.09180	4.8
227.07053	4.7
227.10707	29.6
237.09007	6.2
239.10655	8.3
240.11380	7.2
241.08630	6.4
241.12209	22.6
253.08522	7.1
253.12170	20.3
255.10143	4.5
255.13959	12.7
263.10608	4.0
265.08655	12.4
265.12357	7.0
267.10104	22.0
267.13806	18.1
269.11639	5.6
277.12341	4.6
279.10416	5.6
279.13809	14.6
281.11688	25.1
281.15097	4.3
284.12628	4.1
293.11716	18.5
293.15060	8.2
294.12415	5.2
295.13477	25.5
305.11566	4.1
307.13278	16.4
309.18314	4.9
312.16098	5.0
320.13925	6.5
321.14838	23.4
323.20071	70.3
335.16479	6.2
335.19998	33.6
351.19525	16.8
352.19122	8.1
363.19550	84.6
368.22247	44.4
376.19907	4.6
380.22220	100.0
391.26266	18.9
419.25613	14.2
421.23557	7.2
436.28928	34.6
436.39587	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2662
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05525	18.3
57.03437	10.6
57.07075	11.9
66.55762	1.7
67.05511	25.6
69.07073	38.5
71.08646	4.0
79.05515	3.4
81.07056	33.2
83.08627	37.7
93.07035	13.6
95.08604	34.3
97.06512	3.4
97.10165	24.6
98.98474	80.0
102.79633	2.0
107.08601	9.6
109.10166	17.2
111.08076	4.1
111.11730	3.7
121.10119	18.3
123.11708	7.9
135.11670	17.4
149.13217	7.8
155.01038	100.0
247.24141	4.3
265.25287	39.3
336.22119	2.9
339.28961	59.5
354.23123	9.0
372.24167	7.3
396.24323	11.9
419.25558	34.0
437.27155	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2665
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.24383	1.6
55.05527	14.8
57.03448	3.3
57.07078	11.1
67.05509	24.3
69.07074	36.7
69.12170	2.0
71.08631	9.2
79.05505	7.9
81.07057	32.3
83.08628	38.1
85.10155	1.9
93.07042	12.9
93.13781	2.0
95.08623	32.9
97.06536	4.0
97.10180	17.0
98.98479	69.8
102.46976	2.0
107.08586	9.4
109.10146	14.9
111.11688	6.9
116.99467	2.3
121.10143	22.3
123.11718	3.8
135.11688	16.3
149.13240	4.8
149.85071	2.2
155.01050	100.0
173.02113	3.8
247.24280	4.7
265.25269	44.3
336.22116	8.8
337.16684	2.6
339.28946	52.5
352.21490	2.4
354.23129	16.9
372.24158	4.1
396.24097	18.5
419.25583	28.5
437.28839	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2673
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05513	19.0
57.03447	6.5
57.07072	14.9
67.05517	36.2
67.34724	3.3
69.07076	44.2
71.08629	7.3
74.05802	3.1
79.05502	4.5
81.07069	36.3
83.08617	38.0
85.10178	4.8
93.07043	24.2
95.08613	44.4
97.10170	19.6
98.98465	52.9
99.08119	3.9
107.08622	17.6
109.10164	43.7
112.99326	3.9
121.10139	24.5
123.11697	19.2
135.11710	14.5
149.13229	5.4
155.01042	35.6
159.08063	6.5
195.37299	4.3
201.09152	5.2
227.10571	7.0
261.85840	4.1
265.25232	24.5
267.10370	4.5
269.15329	7.3
315.15915	19.8
336.19266	8.1
339.28949	100.0
353.17422	4.8
354.22928	4.7
381.20627	6.2
391.25809	5.1
396.24115	5.3
419.25641	8.2
437.26669	46.8
437.33179	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2685
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
52.17127	1.4
54.95105	1.4
55.05514	9.1
57.07061	1.5
64.24523	1.5
67.05517	17.7
69.06750	2.5
69.07072	40.8
75.79848	1.4
80.76317	2.0
81.07053	22.8
83.08615	11.1
93.07059	2.9
95.08612	22.7
97.10163	3.9
102.82314	1.5
107.08582	3.2
109.10163	45.0
111.11709	3.6
119.08552	3.1
121.10179	2.5
123.11725	15.2
123.24393	1.6
130.04349	1.7
135.11703	1.8
137.13298	2.5
147.11690	2.0
151.14885	1.9
165.16537	1.8
171.11662	1.8
187.07558	7.0
201.09128	8.3
211.07507	2.3
215.10634	2.1
225.09122	2.6
227.10789	1.9
229.08707	3.4
235.11247	1.7
237.09081	2.7
237.12730	2.2
239.10756	7.6
241.12152	2.4
247.09700	8.1
251.10817	3.2
253.08620	1.8
253.12271	15.9
255.13722	3.6
265.08801	1.8
265.12173	6.4
267.10294	3.9
267.13773	11.3
269.15195	2.2
278.12921	2.5
279.13849	7.0
281.11765	8.7
281.15396	10.5
293.11896	6.7
293.15421	8.5
295.13156	4.0
295.16879	2.2
297.11404	3.0
299.12781	6.6
301.14420	2.3
306.16309	2.1
307.13257	6.9
307.16998	8.0
309.14941	3.1
311.12717	10.7
312.13940	1.8
313.14343	10.8
315.15991	6.7
321.14725	4.2
321.18408	3.2
325.14453	4.2
327.16061	7.2
335.20117	7.6
337.14407	3.6
338.14749	2.6
339.15906	8.9
341.17407	2.6
349.21909	2.4
353.17438	13.9
355.19061	3.1
363.19852	3.4
367.19122	4.0
379.19016	7.4
381.20511	20.4
391.26471	16.1
395.22235	2.7
407.22034	3.5
419.25766	8.4
422.24170	19.7
437.26819	100.0
437.33746	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2686
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
53.25453	3.4
55.05514	8.3
61.90289	3.6
66.97007	3.2
67.05500	17.0
69.07069	88.6
75.96857	3.6
79.05492	4.8
81.07063	63.8
82.40051	4.1
93.07060	29.9
95.08588	17.9
107.08611	19.6
109.10172	38.4
111.11720	15.3
117.62904	4.5
121.10082	7.7
123.11719	8.3
133.10150	5.1
135.11681	24.3
154.12228	7.3
173.05898	4.4
187.07390	4.1
188.99323	4.2
199.07664	4.4
201.09128	4.7
203.07057	5.0
213.09079	8.0
225.09126	9.9
233.08141	5.1
239.10414	6.4
241.12257	5.1
253.12335	5.9
255.13940	5.5
257.07864	4.1
267.13828	9.6
269.15265	14.3
271.09329	5.0
273.11285	5.8
279.13712	4.5
285.11121	8.1
293.15442	5.3
297.14890	5.6
299.12671	5.2
301.14130	4.8
309.18430	4.6
313.14346	9.7
315.15921	19.7
323.20108	6.3
335.20117	17.6
343.18896	4.6
352.19312	5.5
353.17429	30.9
354.17520	41.8
355.19043	24.6
381.20584	53.0
391.26297	20.3
396.21841	30.7
419.25571	8.0
437.20520	6.4
437.26852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2686
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
51.75310	1.5
55.05521	2.1
55.10564	1.6
57.07091	1.5
67.05496	11.1
69.07073	27.3
71.08647	2.1
79.05475	4.1
81.07064	18.0
83.08610	8.4
86.59678	1.6
91.05453	1.7
93.07005	3.6
95.08611	13.4
95.28960	1.7
97.10146	3.1
105.06995	2.1
107.08584	4.1
109.10163	20.2
111.11658	2.0
119.08536	3.7
120.41031	2.0
121.10138	3.8
121.56427	1.8
123.11652	7.3
133.10056	1.8
135.11720	3.1
135.29245	1.8
140.10654	2.1
154.12213	4.6
155.12604	2.6
163.17998	1.7
179.14209	2.3
182.15381	3.0
193.12267	4.5
201.09036	3.2
211.07710	2.6
225.09105	4.1
225.12691	7.8
227.10632	3.3
237.12968	1.9
238.09843	2.6
239.10608	6.8
251.14313	4.6
253.12198	35.0
255.13617	2.2
259.09570	2.4
265.12183	8.0
267.13690	3.5
269.15305	2.9
279.13736	8.1
281.15244	4.1
293.15323	3.9
295.13416	2.9
298.11798	2.3
299.12756	3.0
307.16812	3.8
309.18506	2.2
311.12714	3.8
313.14334	50.0
315.15915	3.9
323.20093	13.1
327.15756	2.0
335.20029	17.7
339.15884	2.6
341.17429	2.4
341.46594	2.1
344.39951	2.0
353.17276	10.2
353.21045	9.9
381.20599	23.3
391.26181	12.8
419.25806	3.9
419.31628	3.3
437.19308	9.4
437.26691	100.0
437.32294	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70071	1.6
50.94182	1.5
55.05507	7.6
57.07071	9.7
67.05504	9.9
68.57139	1.7
69.07060	15.9
69.54694	1.5
69.86333	1.9
74.39377	1.7
77.45724	1.9
79.05475	2.7
81.06696	1.6
81.07069	25.8
83.08611	8.3
91.05501	2.7
92.21535	2.4
93.07028	12.2
95.02191	1.5
95.08608	37.2
97.10165	9.2
98.83054	1.7
98.98465	8.9
105.07014	4.2
107.08591	26.6
108.63303	1.6
109.10168	27.0
119.08562	19.4
120.08940	2.2
121.10120	24.9
123.11710	14.1
131.08560	6.9
133.10104	13.0
135.07968	1.9
135.11719	21.7
136.25012	2.1
137.13315	13.7
143.08514	2.1
145.10115	11.9
147.11693	12.6
149.13268	13.1
151.14886	3.1
154.88858	1.9
155.01007	7.3
157.10161	2.6
157.53664	1.7
159.11699	7.7
161.13226	13.7
163.14783	10.0
171.11673	6.7
173.13203	7.1
175.14832	16.9
177.16330	8.1
183.11752	2.1
185.13197	3.1
187.14799	15.1
189.16385	14.1
199.14784	3.7
201.16373	16.2
203.17932	11.2
211.14809	4.3
213.16324	3.8
215.17964	11.6
221.15292	2.4
227.10416	2.1
227.17952	2.5
229.19504	2.8
239.17873	8.1
241.19475	4.2
245.15404	2.1
247.16844	6.2
253.19406	6.8
255.21069	7.3
259.16992	2.5
267.21045	4.0
269.15305	1.9
273.18408	2.2
285.18442	2.4
287.20105	2.5
299.19989	2.7
315.15460	2.5
336.22153	3.1
339.28860	16.4
354.23016	7.1
367.34784	1.9
372.24252	3.1
391.33789	14.4
394.24237	2.2
396.24258	11.4
400.08682	2.3
419.32889	2.6
437.27979	16.8
437.34064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70071	1.6
50.94182	1.5
55.05507	7.6
57.07071	9.7
67.05504	9.9
68.57139	1.7
69.07060	15.9
69.54694	1.5
69.86333	1.9
74.39377	1.7
77.45724	1.9
79.05475	2.7
81.06696	1.6
81.07069	25.8
83.08611	8.3
91.05501	2.7
92.21535	2.4
93.07028	12.2
95.02191	1.5
95.08608	37.2
97.10165	9.2
98.83054	1.7
98.98465	8.9
105.07014	4.2
107.08591	26.6
108.63303	1.6
109.10168	27.0
119.08562	19.4
120.08940	2.2
121.10120	24.9
123.11710	14.1
131.08560	6.9
133.10104	13.0
135.07968	1.9
135.11719	21.7
136.25012	2.1
137.13315	13.7
143.08514	2.1
145.10115	11.9
147.11693	12.6
149.13268	13.1
151.14886	3.1
154.88858	1.9
155.01007	7.3
157.10161	2.6
157.53664	1.7
159.11699	7.7
161.13226	13.7
163.14783	10.0
171.11673	6.7
173.13203	7.1
175.14832	16.9
177.16330	8.1
183.11752	2.1
185.13197	3.1
187.14799	15.1
189.16385	14.1
199.14784	3.7
201.16373	16.2
203.17932	11.2
211.14809	4.3
213.16324	3.8
215.17964	11.6
221.15292	2.4
227.10416	2.1
227.17952	2.5
229.19504	2.8
239.17873	8.1
241.19475	4.2
245.15404	2.1
247.16844	6.2
253.19406	6.8
255.21069	7.3
259.16992	2.5
267.21045	4.0
269.15305	1.9
273.18408	2.2
285.18442	2.4
287.20105	2.5
299.19989	2.7
315.15460	2.5
336.22153	3.1
339.28860	16.4
354.23016	7.1
367.34784	1.9
372.24252	3.1
391.33789	14.4
394.24237	2.2
396.24258	11.4
400.08682	2.3
419.32889	2.6
437.27979	16.8
437.34064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70071	1.6
50.94182	1.5
55.05507	7.6
57.07071	9.7
67.05504	9.9
68.57139	1.7
69.07060	15.9
69.54694	1.5
69.86333	1.9
74.39377	1.7
77.45724	1.9
79.05475	2.7
81.06696	1.6
81.07069	25.8
83.08611	8.3
91.05501	2.7
92.21535	2.4
93.07028	12.2
95.02191	1.5
95.08608	37.2
97.10165	9.2
98.83054	1.7
98.98465	8.9
105.07014	4.2
107.08591	26.6
108.63303	1.6
109.10168	27.0
119.08562	19.4
120.08940	2.2
121.10120	24.9
123.11710	14.1
131.08560	6.9
133.10104	13.0
135.07968	1.9
135.11719	21.7
136.25012	2.1
137.13315	13.7
143.08514	2.1
145.10115	11.9
147.11693	12.6
149.13268	13.1
151.14886	3.1
154.88858	1.9
155.01007	7.3
157.10161	2.6
157.53664	1.7
159.11699	7.7
161.13226	13.7
163.14783	10.0
171.11673	6.7
173.13203	7.1
175.14832	16.9
177.16330	8.1
183.11752	2.1
185.13197	3.1
187.14799	15.1
189.16385	14.1
199.14784	3.7
201.16373	16.2
203.17932	11.2
211.14809	4.3
213.16324	3.8
215.17964	11.6
221.15292	2.4
227.10416	2.1
227.17952	2.5
229.19504	2.8
239.17873	8.1
241.19475	4.2
245.15404	2.1
247.16844	6.2
253.19406	6.8
255.21069	7.3
259.16992	2.5
267.21045	4.0
269.15305	1.9
273.18408	2.2
285.18442	2.4
287.20105	2.5
299.19989	2.7
315.15460	2.5
336.22153	3.1
339.28860	16.4
354.23016	7.1
367.34784	1.9
372.24252	3.1
391.33789	14.4
394.24237	2.2
396.24258	11.4
400.08682	2.3
419.32889	2.6
437.27979	16.8
437.34064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
51.51667	1.2
53.61010	1.4
55.05523	2.1
57.21449	1.3
63.96311	1.4
66.10686	1.2
67.05510	3.6
69.07063	10.4
71.04970	2.5
79.96023	1.5
81.07060	13.1
83.08627	2.4
90.90703	1.3
93.07031	12.3
95.08604	25.7
99.08093	2.2
105.07043	8.3
105.72488	1.5
107.08601	16.2
109.10155	15.3
111.68516	1.5
119.08573	14.1
121.10142	16.6
123.08081	1.6
123.11700	7.9
125.09591	2.4
131.08592	3.8
133.10141	20.2
135.08121	1.5
135.11720	6.5
137.09697	1.7
137.13280	2.1
143.08517	1.9
145.10130	14.5
147.11684	7.7
149.13274	2.3
151.11214	3.8
151.13554	1.6
151.14906	2.1
154.12288	2.2
154.60356	1.6
157.10141	3.4
159.11710	16.6
161.13295	11.8
163.14876	2.6
165.12793	5.7
169.10150	2.5
171.11679	1.9
173.13290	16.7
175.14857	6.5
177.12802	3.4
183.11726	2.8
185.13255	7.2
187.14874	7.1
189.12735	1.9
189.16400	3.3
191.17978	1.9
197.13289	2.4
199.14816	7.4
201.16438	9.6
203.17972	9.8
213.16464	6.8
215.17976	2.2
225.16446	3.1
227.17868	2.2
239.17995	2.9
241.19426	2.2
269.19046	3.0
295.24280	2.8
311.23746	14.3
387.24695	1.7
391.33466	2.6
419.33447	10.7
422.39780	1.6
437.18973	2.1
437.34204	100.0
437.39691	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01802	1.4
55.05513	7.0
57.03436	2.1
57.07073	1.6
60.04528	10.4
63.18371	1.5
67.05519	23.4
69.07085	13.0
70.63454	1.6
74.06085	1.5
79.05501	12.4
80.12331	1.4
81.07060	42.9
82.98759	1.7
83.05002	2.6
83.08633	12.4
88.69304	1.5
90.39631	1.3
91.05487	6.2
92.37057	1.4
93.07042	23.6
95.08609	38.5
95.09184	1.8
97.10186	9.8
105.07037	12.2
107.08612	23.2
109.06517	2.0
109.10146	17.2
113.33911	1.9
117.13985	1.8
119.08585	16.2
121.10153	24.4
123.11710	6.6
125.09663	1.6
130.75122	1.5
131.08577	12.8
133.10138	9.7
135.11685	15.1
137.13336	1.4
145.10129	11.9
147.11740	6.1
149.09624	1.9
149.13283	7.4
157.10144	2.9
159.11739	8.5
161.13292	2.6
163.14899	1.9
169.15233	1.7
171.11726	6.2
173.13202	3.3
175.14835	3.6
185.13264	3.2
187.14807	3.4
191.00218	2.2
199.14838	2.6
253.65099	2.0
292.09933	2.4
320.09235	3.0
321.10086	2.4
336.12320	16.2
336.19324	6.3
337.14819	9.4
343.02176	1.6
357.31647	3.1
367.30182	3.4
384.32684	13.5
385.30933	17.6
402.33551	28.2
403.32138	17.7
419.36517	7.0
420.34689	31.1
437.18951	2.1
437.37451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
59.44114	1.9
67.05500	26.3
69.07066	12.5
79.05492	9.9
81.07063	45.1
83.08622	13.9
90.92095	2.0
91.05473	3.4
93.07039	15.5
95.08599	48.0
97.06525	3.1
97.10203	9.6
98.85760	2.1
98.97562	4.1
99.20632	2.1
105.07008	13.0
107.08586	19.0
109.10163	22.8
116.98581	4.4
119.08588	16.9
121.10131	22.7
123.11696	9.6
131.08556	11.6
133.10092	8.9
135.11703	13.2
137.13330	2.4
143.08612	2.4
144.83099	2.0
145.10129	10.9
147.11667	4.8
149.13254	5.4
159.11642	4.0
161.13240	8.8
163.14774	2.6
173.13278	4.6
175.14844	2.6
189.16318	2.6
209.11589	2.6
270.41708	2.2
283.26337	8.5
289.21625	2.4
318.21179	9.4
336.22061	44.5
354.22534	2.8
357.31146	2.6
362.94696	2.5
378.23203	5.0
384.32422	4.9
385.30878	19.7
396.24295	31.4
402.33661	43.6
403.31937	16.4
419.36353	4.8
420.34683	29.3
437.31607	3.8
437.37411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
55.28983	1.6
57.63918	1.6
59.37428	1.6
67.05515	22.2
67.28664	1.6
69.07069	9.8
71.58599	1.6
79.05495	10.5
81.07063	43.1
83.08617	12.9
85.06523	1.9
87.40491	1.8
88.96192	1.9
91.05497	3.3
93.07037	19.0
95.08607	49.3
97.06537	2.7
97.10176	4.6
99.08092	1.9
105.07018	13.3
107.08588	20.5
109.10170	22.8
111.08049	3.5
115.79933	2.1
119.08557	14.8
121.10143	19.9
123.11725	4.6
131.08545	13.7
133.10109	11.6
135.11693	16.0
138.80969	2.0
139.05032	3.8
140.10754	2.1
143.08649	2.3
145.10126	14.1
147.11702	8.7
149.13234	10.4
159.11720	7.7
161.13246	3.3
171.11667	2.6
199.14821	2.9
257.02060	2.1
336.12146	6.9
336.22043	4.5
357.31467	3.4
367.29987	3.1
384.32587	15.4
385.31100	18.4
396.24301	4.1
402.33649	36.5
403.32138	16.7
419.36563	3.7
420.34613	26.7
437.31396	3.5
437.37421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20795	1.5
57.61685	1.7
60.31239	1.5
63.41118	1.4
100.45078	2.0
102.87726	2.1
128.04344	1.9
149.06000	3.9
156.19662	1.7
193.76314	2.1
212.27979	1.8
215.60367	1.8
222.11284	2.1
282.24084	2.1
291.84067	2.1
292.09509	2.4
308.09219	2.8
311.09018	1.9
320.08932	7.5
322.10349	6.6
334.10141	2.9
335.07773	9.4
336.06281	2.5
336.12457	6.0
338.06390	2.5
338.13269	2.2
340.11282	3.4
350.10178	14.2
351.08337	2.4
352.08148	24.2
353.08957	25.0
362.09299	2.8
363.09955	3.4
367.10590	19.6
368.11273	56.7
402.09674	2.5
420.10803	2.9
438.11667	100.0
438.18912	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37176	0.7
58.51560	0.7
66.37448	0.8
67.68148	0.8
74.67381	1.1
86.25162	0.8
89.66642	1.0
90.10982	0.9
278.08194	1.2
289.07434	4.2
296.53857	1.0
301.07434	1.7
302.08127	1.7
304.06152	0.9
304.09601	1.2
306.07550	9.6
310.09201	1.7
314.08185	1.3
316.06241	3.7
317.06757	3.7
318.07681	5.3
319.08466	2.1
320.05420	1.4
321.10010	1.9
330.07590	9.9
332.09232	4.2
334.10785	4.3
345.06314	5.6
346.07104	4.7
348.08707	1.3
349.05963	2.2
350.06601	8.8
358.07013	4.0
360.08597	23.7
362.10226	3.8
364.08142	62.2
365.08963	3.2
366.09476	1.1
373.05798	5.3
378.09790	7.5
388.08014	11.7
392.11349	7.5
394.13089	1.1
406.09296	28.9
410.17654	1.4
420.10892	10.2
438.11859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38253	0.5
56.09469	0.5
75.10558	0.6
77.91595	0.6
78.97898	0.7
90.48898	0.6
110.41900	0.6
135.04399	4.0
149.05983	6.2
151.22876	0.7
165.05496	1.1
173.09637	0.8
174.05554	2.8
175.03850	0.8
176.07018	1.0
183.78131	0.6
191.07005	4.6
192.06374	0.6
193.04938	2.4
206.93764	0.8
219.06496	4.0
244.06000	5.5
247.06070	5.5
278.08340	0.7
292.06207	1.0
292.09717	1.0
293.07922	1.3
293.10883	1.3
294.07657	1.5
306.07718	0.9
307.08600	1.5
308.09189	3.9
309.09897	1.3
311.09085	1.5
320.05533	3.8
320.09137	3.0
322.07123	5.0
322.10516	2.5
324.08789	1.0
334.07172	2.2
334.10782	0.9
335.07950	12.7
336.05493	0.9
336.08685	3.8
336.12308	1.8
337.09375	4.7
338.06638	10.1
340.11832	2.6
350.10345	8.1
351.08530	4.3
352.08133	16.4
352.12051	1.2
353.08936	17.7
362.10410	0.9
367.10568	6.6
368.11307	24.7
378.09372	1.3
390.09711	3.1
396.10800	14.3
410.12405	3.4
419.37604	0.7
420.10754	2.5
438.11801	100.0
438.28293	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	2.3
75.73650	0.9
80.10212	0.9
83.26813	0.9
86.09706	2.0
91.32101	1.0
97.35762	1.0
121.23486	1.2
130.80376	1.0
184.07309	1.8
246.89563	1.4
248.60106	1.1
257.14581	1.2
262.79810	1.1
314.07880	1.2
315.09344	1.1
318.07407	1.3
322.07043	1.4
322.10660	2.6
323.11395	7.0
329.06674	1.4
330.07584	8.5
332.09073	1.7
334.10529	1.6
338.13815	15.7
342.07675	1.9
343.08203	1.3
344.09103	6.0
345.10101	1.5
346.07059	100.0
352.08096	2.4
358.10501	1.8
360.08603	8.9
361.09317	2.5
374.06332	1.5
376.11810	24.7
388.08102	5.4
390.05951	20.4
420.10757	67.1
438.11774	49.9
438.17642	2.9
438.22977	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12428	0.4
58.06604	2.9
67.80125	0.6
82.90972	0.5
90.80693	0.5
119.04919	0.6
121.06461	0.6
133.06516	0.6
147.04443	0.7
165.09203	0.8
167.07048	0.8
177.05594	1.0
193.08577	6.0
209.08234	0.8
211.09608	6.2
239.09483	3.6
253.10921	14.8
253.13205	0.6
268.26508	0.7
271.08444	0.9
280.09683	22.6
281.10474	41.9
282.11447	0.8
286.30243	0.7
308.09363	1.0
320.09503	0.9
321.64673	0.7
322.10400	3.3
348.12381	2.4
349.13342	0.8
350.13895	0.9
364.11655	0.9
376.15961	0.9
377.75620	0.8
392.11249	9.7
392.15213	0.6
394.13034	3.7
420.14496	1.1
428.04309	0.7
438.15704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41640	0.3
118.62768	0.3
181.82715	0.4
206.45374	0.3
263.98184	0.3
271.24124	0.3
279.08911	1.4
294.11212	0.5
307.05441	0.3
307.08374	12.7
322.10730	100.0
336.12152	1.5
438.15414	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12428	0.4
58.06604	2.9
67.80125	0.6
82.90972	0.5
90.80693	0.5
119.04919	0.6
121.06461	0.6
133.06516	0.6
147.04443	0.7
165.09203	0.8
167.07048	0.8
177.05594	1.0
193.08577	6.0
209.08234	0.8
211.09608	6.2
239.09483	3.6
253.10921	14.8
253.13205	0.6
268.26508	0.7
271.08444	0.9
280.09683	22.6
281.10474	41.9
282.11447	0.8
286.30243	0.7
308.09363	1.0
320.09503	0.9
321.64673	0.7
322.10400	3.3
348.12381	2.4
349.13342	0.8
350.13895	0.9
364.11655	0.9
376.15961	0.9
377.75620	0.8
392.11249	9.7
392.15213	0.6
394.13034	3.7
420.14496	1.1
428.04309	0.7
438.15704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12428	0.4
58.06604	2.9
67.80125	0.6
82.90972	0.5
90.80693	0.5
119.04919	0.6
121.06461	0.6
133.06516	0.6
147.04443	0.7
165.09203	0.8
167.07048	0.8
177.05594	1.0
193.08577	6.0
209.08234	0.8
211.09608	6.2
239.09483	3.6
253.10921	14.8
253.13205	0.6
268.26508	0.7
271.08444	0.9
280.09683	22.6
281.10474	41.9
282.11447	0.8
286.30243	0.7
308.09363	1.0
320.09503	0.9
321.64673	0.7
322.10400	3.3
348.12381	2.4
349.13342	0.8
350.13895	0.9
364.11655	0.9
376.15961	0.9
377.75620	0.8
392.11249	9.7
392.15213	0.6
394.13034	3.7
420.14496	1.1
428.04309	0.7
438.15704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24808	0.2
75.21165	0.2
81.03398	0.4
83.04977	1.1
85.02876	0.4
86.09660	0.3
97.02872	0.3
99.04469	0.5
109.02888	0.3
137.05908	0.3
139.03897	1.1
141.81735	0.3
141.82951	0.3
142.34026	0.3
145.05066	0.3
163.03951	0.4
167.07050	2.7
170.05736	1.1
178.08623	100.0
259.11771	0.4
319.10211	0.6
323.10373	0.3
402.98843	0.3
412.09268	0.3
421.10107	0.4
438.13046	1.6
438.17624	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.12869	0.2
53.13147	0.2
56.26516	0.2
57.25387	0.2
69.03419	0.3
80.53829	0.2
81.03407	0.4
83.04960	0.3
85.02922	0.3
97.02881	0.3
97.98156	0.3
99.04458	0.6
99.32378	0.3
122.09606	0.3
139.03880	0.3
146.86540	0.2
151.37567	0.3
163.03874	0.7
164.07021	0.5
167.07043	1.8
178.08627	100.0
203.57742	0.3
277.72440	0.3
319.35095	0.3
438.17599	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05806	0.3
64.56715	0.3
69.03419	0.6
81.03458	0.5
83.04980	0.7
83.28843	0.3
97.02895	0.5
99.04457	0.6
111.07135	0.3
121.06516	0.6
134.01976	0.3
139.03905	1.8
157.04951	0.4
163.03891	0.4
164.07047	0.4
178.08623	100.0
301.09305	0.6
319.10120	1.4
321.81155	0.4
405.22757	0.3
420.19315	0.5
438.09247	0.4
438.11551	0.3
438.17490	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
78.06483	0.1
78.80811	0.1
87.28901	0.1
88.73490	0.1
94.06390	0.1
115.42346	0.1
135.94566	0.1
146.35408	0.1
166.00624	0.1
191.96034	0.1
193.13765	0.1
197.43712	0.1
264.10208	0.2
292.09631	2.7
293.10159	0.2
303.09341	0.1
304.09576	0.2
306.07349	0.2
308.12753	0.8
320.09128	8.5
321.09842	8.5
322.09781	4.3
334.10632	0.5
335.11044	0.2
336.12256	100.0
438.19104	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1905
Annotation	Azocyclotin
Peak:m/z	Relative Intensity
57.32412	0.9
65.66052	0.8
65.91856	0.9
67.03461	0.8
74.60075	0.9
78.53539	0.8
79.36563	0.8
91.05465	1.5
97.06558	1.0
109.95078	0.9
114.09179	13.7
118.41483	0.9
121.06477	1.0
131.04898	1.1
140.73805	1.0
149.05995	11.8
161.06015	3.8
167.07068	1.7
168.79057	1.0
176.07054	100.0
177.56668	0.9
178.08607	10.4
186.10417	2.2
202.09833	11.0
209.16571	1.5
215.10706	1.3
217.12291	8.0
245.11713	26.8
273.11108	7.4
276.61227	1.0
294.11191	1.2
309.10150	1.2
310.32623	1.0
322.10568	6.7
323.11591	5.9
324.12280	6.1
331.08072	1.1
334.10864	1.4
336.12405	6.6
337.12949	4.0
338.13815	14.0
345.15070	1.2
352.15311	8.4
438.19165	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13213	0.4
63.72995	0.4
93.71508	0.4
174.05423	0.7
292.09695	6.9
304.09619	0.8
306.07513	2.0
307.08612	0.6
320.09171	10.5
321.09946	25.0
336.12289	100.0
338.13855	0.6
340.14603	2.5
438.12976	0.9
438.19223	24.7
445.93726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45525	0.1
58.06528	0.2
58.71898	0.1
63.55027	0.1
81.06460	0.2
91.02483	0.1
112.96813	0.2
124.01519	0.2
158.78915	0.1
181.66344	0.2
275.09247	0.3
292.09659	8.2
296.11734	0.3
304.09695	1.1
306.07562	2.5
309.09827	0.2
310.09790	0.2
320.09171	11.2
321.09949	26.4
323.11359	0.7
324.11633	1.1
325.12161	1.7
334.10550	0.3
336.12280	100.0
338.13760	1.2
339.14218	2.3
340.10687	0.3
340.14493	5.1
438.19141	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1912
Annotation	Azocyclotin
Peak:m/z	Relative Intensity
53.48706	0.7
56.58286	0.8
93.87883	0.7
106.53380	0.8
174.61336	0.8
238.46696	1.0
277.07169	1.8
278.08154	5.9
289.07330	6.4
290.08054	0.9
291.08771	0.9
292.06006	5.5
294.25034	1.0
306.07587	38.5
307.08328	18.4
308.09302	1.8
320.05548	1.1
321.09927	36.2
322.10721	72.5
325.09375	3.7
334.07019	5.2
334.10727	3.1
335.07803	3.3
340.11765	15.7
350.10248	9.7
366.12872	1.1
438.19040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71669	0.3
56.85870	0.4
59.78125	0.4
63.42737	0.4
66.38240	0.4
144.08827	0.5
164.14967	0.5
167.92693	0.4
172.51051	0.5
292.09634	7.9
304.09610	2.4
306.07611	2.4
320.09158	11.8
321.09937	25.7
336.12286	100.0
340.14590	2.7
438.19232	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88580	0.1
66.86416	0.1
70.51162	0.1
92.20952	0.2
121.06407	0.3
178.08525	0.2
197.17897	0.1
220.24063	0.2
275.09430	0.2
276.06259	0.2
278.07822	0.6
292.09650	8.8
292.12943	0.3
296.11697	0.3
304.02560	0.2
304.09775	1.7
305.10248	0.2
306.07617	2.6
320.09137	7.9
321.09949	24.9
323.11252	0.7
324.11731	1.3
325.12085	1.1
334.10724	0.7
336.12280	100.0
338.13852	1.2
339.14102	1.8
340.10712	0.3
340.14465	3.7
350.10385	0.2
352.11758	0.2
378.09604	0.6
380.10321	0.2
392.57547	0.2
438.12332	1.0
438.19189	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32412	0.9
65.66052	0.8
65.91856	0.9
67.03461	0.8
74.60075	0.9
78.53539	0.8
79.36563	0.8
91.05465	1.5
97.06558	1.0
109.95078	0.9
114.09179	13.7
118.41483	0.9
121.06477	1.0
131.04898	1.1
140.73805	1.0
149.05995	11.8
161.06015	3.8
167.07068	1.7
168.79057	1.0
176.07054	100.0
177.56668	0.9
178.08607	10.4
186.10417	2.2
202.09833	11.0
209.16571	1.5
215.10706	1.3
217.12291	8.0
245.11713	26.8
273.11108	7.4
276.61227	1.0
294.11191	1.2
309.10150	1.2
310.32623	1.0
322.10568	6.7
323.11591	5.9
324.12280	6.1
331.08072	1.1
334.10864	1.4
336.12405	6.6
337.12949	4.0
338.13815	14.0
345.15070	1.2
352.15311	8.4
438.19165	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28315	0.2
58.06500	0.3
59.94446	0.2
69.75291	0.2
75.26605	0.2
178.08522	0.4
182.77188	0.3
278.07980	0.3
292.09662	8.7
304.09622	1.3
306.07556	2.5
306.10638	0.4
307.08292	0.5
320.09109	9.4
321.09949	25.3
322.10754	1.5
323.11185	0.4
324.11691	1.3
325.12201	1.8
334.10645	0.9
336.12280	100.0
338.13837	1.6
339.14136	1.6
340.14471	5.1
377.16257	0.4
378.09674	0.8
438.19217	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88580	0.1
66.86416	0.1
70.51162	0.1
92.20952	0.2
121.06407	0.3
178.08525	0.2
197.17897	0.1
220.24063	0.2
275.09430	0.2
276.06259	0.2
278.07822	0.6
292.09650	8.8
292.12943	0.3
296.11697	0.3
304.02560	0.2
304.09775	1.7
305.10248	0.2
306.07617	2.6
320.09137	7.9
321.09949	24.9
323.11252	0.7
324.11731	1.3
325.12085	1.1
334.10724	0.7
336.12280	100.0
338.13852	1.2
339.14102	1.8
340.10712	0.3
340.14465	3.7
350.10385	0.2
352.11758	0.2
378.09604	0.6
380.10321	0.2
392.57547	0.2
438.12332	1.0
438.19189	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
61.27936	2.0
62.93291	2.2
65.03948	3.4
67.05500	2.6
69.03419	22.8
79.47340	2.7
81.03416	13.8
83.04984	100.0
85.02914	26.5
91.18791	2.3
93.03397	12.4
97.02896	29.8
99.04458	3.6
109.02863	17.9
111.04441	57.2
121.02851	24.3
122.91599	2.8
127.03919	22.4
139.03903	99.7
141.70207	3.0
144.29076	2.9
145.05029	4.9
157.04956	27.3
178.08617	71.0
255.08568	10.8
277.77029	3.4
283.08020	4.9
301.09155	43.2
319.10208	72.9
335.10464	4.4
362.08578	3.4
377.11285	6.2
421.10391	4.5
438.12936	33.2
438.18057	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01872	1.0
55.05510	6.1
57.03440	1.9
61.02929	2.0
64.39992	0.4
65.03950	2.6
67.05499	5.1
69.03426	28.3
71.04980	2.3
76.90891	0.4
81.03414	15.8
83.04979	100.0
85.02898	24.6
93.03394	13.2
95.04965	2.7
97.02247	1.0
97.02885	32.6
97.06460	0.5
99.04435	6.5
109.02870	18.0
110.18757	0.5
111.04434	58.0
111.51318	0.5
121.02854	21.5
121.06530	0.5
127.03899	23.6
127.04833	0.8
129.05455	1.1
139.03894	99.6
145.04936	7.7
157.04944	28.7
169.19113	0.5
173.01089	0.5
178.05011	0.5
202.44252	0.5
255.08589	13.6
276.12216	1.0
283.08072	13.9
301.09152	43.2
319.10208	87.9
349.12717	0.5
367.13669	2.3
385.14688	2.0
403.16156	0.7
438.11716	2.7
438.18323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09595	0.7
53.12275	0.6
53.56398	0.6
55.01878	1.3
55.05521	8.0
57.03467	1.2
59.23814	0.7
61.99899	0.7
67.05513	9.3
69.07073	1.2
71.04993	1.0
79.05509	6.7
81.07063	6.2
83.08628	5.2
91.05479	1.0
93.07027	4.8
95.08605	1.0
97.06548	1.0
97.10166	15.5
98.67047	0.8
99.04465	1.6
103.06641	0.9
107.08633	6.3
109.10155	5.1
117.06992	0.8
121.06504	3.9
121.10172	0.9
123.04414	1.7
124.78416	0.9
125.09625	10.9
129.01021	0.7
135.08012	1.0
137.06001	4.7
137.55736	1.0
139.11177	1.6
141.70497	1.0
146.06013	1.5
147.04430	1.3
149.05995	1.7
161.05966	12.5
162.05498	3.6
163.04073	0.9
163.06288	26.4
163.07542	1.7
164.07054	6.1
169.06519	1.2
173.05959	11.0
175.07539	6.7
176.07085	5.9
177.07806	1.9
177.09177	1.8
178.08603	0.9
181.06445	1.2
183.08159	1.2
185.06046	1.4
187.07518	6.1
188.07036	3.6
189.11084	1.0
199.07509	8.8
201.09198	1.9
203.06987	2.0
208.34393	0.9
213.09195	1.7
253.45805	0.8
265.15805	0.9
293.15182	0.8
296.09152	1.7
300.19556	1.1
307.08389	1.7
311.16351	3.1
322.10699	11.7
325.09503	1.1
328.18997	10.3
329.17422	1.2
340.11844	9.7
346.19983	5.0
394.12900	3.3
420.23779	43.6
438.11392	6.6
438.16580	10.1
438.24844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09595	0.7
53.12275	0.6
53.56398	0.6
55.01878	1.3
55.05521	8.0
57.03467	1.2
59.23814	0.7
61.99899	0.7
67.05513	9.3
69.07073	1.2
71.04993	1.0
79.05509	6.7
81.07063	6.2
83.08628	5.2
91.05479	1.0
93.07027	4.8
95.08605	1.0
97.06548	1.0
97.10166	15.5
98.67047	0.8
99.04465	1.6
103.06641	0.9
107.08633	6.3
109.10155	5.1
117.06992	0.8
121.06504	3.9
121.10172	0.9
123.04414	1.7
124.78416	0.9
125.09625	10.9
129.01021	0.7
135.08012	1.0
137.06001	4.7
137.55736	1.0
139.11177	1.6
141.70497	1.0
146.06013	1.5
147.04430	1.3
149.05995	1.7
161.05966	12.5
162.05498	3.6
163.04073	0.9
163.06288	26.4
163.07542	1.7
164.07054	6.1
169.06519	1.2
173.05959	11.0
175.07539	6.7
176.07085	5.9
177.07806	1.9
177.09177	1.8
178.08603	0.9
181.06445	1.2
183.08159	1.2
185.06046	1.4
187.07518	6.1
188.07036	3.6
189.11084	1.0
199.07509	8.8
201.09198	1.9
203.06987	2.0
208.34393	0.9
213.09195	1.7
253.45805	0.8
265.15805	0.9
293.15182	0.8
296.09152	1.7
300.19556	1.1
307.08389	1.7
311.16351	3.1
322.10699	11.7
325.09503	1.1
328.18997	10.3
329.17422	1.2
340.11844	9.7
346.19983	5.0
394.12900	3.3
420.23779	43.6
438.11392	6.6
438.16580	10.1
438.24844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09595	0.7
53.12275	0.6
53.56398	0.6
55.01878	1.3
55.05521	8.0
57.03467	1.2
59.23814	0.7
61.99899	0.7
67.05513	9.3
69.07073	1.2
71.04993	1.0
79.05509	6.7
81.07063	6.2
83.08628	5.2
91.05479	1.0
93.07027	4.8
95.08605	1.0
97.06548	1.0
97.10166	15.5
98.67047	0.8
99.04465	1.6
103.06641	0.9
107.08633	6.3
109.10155	5.1
117.06992	0.8
121.06504	3.9
121.10172	0.9
123.04414	1.7
124.78416	0.9
125.09625	10.9
129.01021	0.7
135.08012	1.0
137.06001	4.7
137.55736	1.0
139.11177	1.6
141.70497	1.0
146.06013	1.5
147.04430	1.3
149.05995	1.7
161.05966	12.5
162.05498	3.6
163.04073	0.9
163.06288	26.4
163.07542	1.7
164.07054	6.1
169.06519	1.2
173.05959	11.0
175.07539	6.7
176.07085	5.9
177.07806	1.9
177.09177	1.8
178.08603	0.9
181.06445	1.2
183.08159	1.2
185.06046	1.4
187.07518	6.1
188.07036	3.6
189.11084	1.0
199.07509	8.8
201.09198	1.9
203.06987	2.0
208.34393	0.9
213.09195	1.7
253.45805	0.8
265.15805	0.9
293.15182	0.8
296.09152	1.7
300.19556	1.1
307.08389	1.7
311.16351	3.1
322.10699	11.7
325.09503	1.1
328.18997	10.3
329.17422	1.2
340.11844	9.7
346.19983	5.0
394.12900	3.3
420.23779	43.6
438.11392	6.6
438.16580	10.1
438.24844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70790	0.7
55.05517	10.7
57.03199	1.1
57.03439	10.3
57.07082	8.1
61.97911	0.8
67.05518	6.5
69.07070	21.1
71.08619	4.0
73.60187	0.8
79.05491	2.0
81.07062	12.6
83.04954	1.0
83.08626	19.8
85.10219	1.6
93.07047	5.9
95.08592	10.3
97.06547	8.8
97.10181	11.8
107.08580	6.6
109.10146	8.2
111.08041	1.4
111.11720	1.5
121.10113	8.3
123.11687	4.0
125.09699	0.9
135.11697	8.3
149.13264	6.1
213.03783	0.9
262.18747	2.2
266.24664	1.6
297.24228	100.0
367.05612	0.9
438.19568	2.2
438.26596	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53473	3.1
55.05514	6.6
57.03416	3.6
57.07079	5.7
61.82625	3.0
62.06094	21.1
67.05506	7.5
68.83630	3.5
69.07056	8.2
75.74971	3.5
83.08617	15.6
93.07025	4.5
95.08613	7.8
97.10181	6.4
98.98491	4.4
107.08599	7.2
109.10160	5.0
121.10129	5.1
123.11668	3.6
124.51503	3.1
125.09695	3.7
135.11690	5.2
155.01097	5.7
157.06909	3.6
204.25996	3.4
223.20604	4.9
266.24747	7.3
297.24191	100.0
336.22198	8.8
337.22610	26.7
350.06479	3.7
397.24344	17.5
420.24573	25.0
438.19672	79.6
438.26059	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2638
Annotation	13-Desoxyterpendole I
Peak:m/z	Relative Intensity
51.44003	0.5
53.80857	0.4
62.06297	0.5
79.05490	3.4
93.07043	1.1
98.12190	0.5
103.04811	0.9
103.05467	17.8
107.04948	10.8
118.09497	0.5
121.06496	2.5
131.04944	13.0
141.25224	0.6
149.05971	0.7
191.03795	0.6
199.50874	0.6
272.20081	27.9
290.21173	9.0
330.07358	0.8
346.07025	14.7
360.08655	1.1
376.11768	3.6
390.06061	3.4
392.25912	1.2
420.10803	11.1
420.19498	1.4
420.25311	76.8
438.12033	5.9
438.19925	9.2
438.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.4
60.62052	1.0
64.29279	1.1
69.07072	16.5
81.07060	4.7
89.06006	1.4
93.07035	1.9
95.08590	2.3
121.10115	1.4
123.11672	1.7
141.82356	1.4
149.94180	1.2
160.08528	1.4
187.07516	19.5
206.24771	1.3
209.72562	1.6
213.05519	2.3
213.90195	1.1
215.07083	7.5
227.10716	2.1
231.06538	21.0
233.08022	1.6
253.08382	1.6
255.10417	1.8
267.10297	1.6
279.07065	1.4
285.11334	1.7
337.18146	5.1
338.00989	1.4
355.19031	100.0
411.07831	1.4
423.25046	4.9
438.27158	9.0
438.32806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77018	2.4
55.05525	6.5
57.03439	5.9
57.07083	18.5
62.06089	3.4
67.05492	4.9
69.07070	39.2
71.06149	3.2
71.08634	3.8
75.04477	14.7
75.59875	3.0
81.07065	6.1
83.08637	34.0
85.10175	4.8
90.15559	2.7
95.08581	15.0
97.10177	27.8
98.98473	41.4
109.10143	6.5
111.11714	5.7
142.02666	5.2
142.39546	3.2
149.80209	3.5
173.02074	31.4
174.05528	21.7
182.78180	3.2
337.22336	5.2
340.08063	33.6
340.28503	3.4
395.25543	83.2
397.24585	6.2
438.19901	5.4
438.29800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16721	1.1
55.05521	1.4
57.07054	1.6
69.07060	14.7
72.55962	1.2
73.80390	1.4
81.07056	7.4
87.48617	1.1
95.08577	4.8
97.10149	2.0
109.10181	2.8
112.93597	1.1
123.11704	1.4
124.64790	1.3
185.09557	2.2
187.07573	1.4
212.08301	7.5
213.05444	2.5
213.09200	2.2
213.66139	1.4
215.07021	2.9
215.10776	1.7
227.07108	2.3
227.10587	2.2
229.08624	8.5
231.10254	1.5
239.07065	2.2
239.10620	1.5
241.08646	7.4
241.12270	2.8
243.10387	2.5
243.13574	1.5
251.10564	2.2
253.12225	4.9
255.13805	8.7
257.15308	5.3
258.11270	2.1
267.10211	2.0
267.13541	1.7
269.15427	6.1
271.13239	2.6
281.11700	16.2
281.15143	5.2
283.13354	1.8
285.14841	1.9
295.13345	2.8
295.17050	4.5
297.14859	9.8
299.12759	10.4
302.17517	5.4
309.14838	8.8
309.18210	2.2
314.17566	6.7
323.16641	1.5
325.21756	2.9
335.48471	1.3
337.17935	22.3
337.21625	8.0
355.19022	100.0
365.21188	18.1
382.23788	5.7
393.27805	5.8
421.27112	3.2
423.25266	2.7
438.29001	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74574	1.8
51.97047	1.8
55.05521	8.7
57.07078	16.6
67.05503	12.4
69.06702	3.4
69.07075	63.5
71.08639	11.2
74.86808	2.0
81.07043	23.4
83.08617	12.3
85.10169	4.8
89.06034	14.3
93.07049	2.3
95.08597	29.7
97.10159	4.9
107.08596	3.9
109.10157	73.5
111.11678	3.1
121.10109	2.7
123.11681	14.8
133.08652	4.0
135.11687	3.7
173.05901	2.6
185.09653	9.5
187.07616	8.0
189.05496	7.8
190.05098	4.0
201.05482	12.2
201.09183	9.6
203.10747	16.3
206.08182	4.8
211.07440	2.7
211.11102	2.6
213.05537	3.3
213.09076	13.0
215.07068	16.9
215.10638	16.1
223.11154	3.8
225.09091	8.9
227.06989	12.3
227.10658	14.1
229.08597	10.8
229.12328	2.6
231.10127	2.9
239.07002	2.5
239.10646	9.2
239.14828	3.4
241.08517	29.0
241.12204	5.3
243.10149	11.4
243.13782	14.9
251.14276	2.7
253.08546	10.5
253.12056	2.6
255.10173	25.1
255.13733	11.3
257.11804	2.9
257.15234	4.2
267.10184	13.5
267.13724	4.9
269.11758	10.5
269.15323	16.4
271.13440	3.9
271.16464	2.3
274.14359	3.2
281.11557	8.7
281.15356	8.4
283.13321	14.6
283.16714	4.5
286.14291	4.5
295.13394	5.0
295.16788	3.9
297.14877	24.3
297.18146	3.4
300.15594	3.0
309.14917	24.8
311.16440	2.6
312.15948	9.8
314.17523	22.2
322.15427	3.1
323.16428	10.9
325.21649	18.1
337.17935	2.6
337.21631	17.7
353.21161	11.8
355.10843	2.6
365.21088	64.4
370.23682	30.8
382.23770	100.0
393.27994	9.8
421.27304	17.4
421.35251	24.7
423.27020	8.3
438.30045	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53599	1.6
60.12930	1.8
61.42485	1.7
69.96000	1.8
73.50554	1.9
74.06206	1.7
77.06124	1.7
79.93117	1.6
105.33717	2.1
133.91811	2.3
154.49982	2.4
183.84775	2.0
191.94583	3.6
208.97266	100.0
257.19611	2.0
268.98291	9.2
296.93787	2.1
308.97717	2.2
313.54642	2.2
340.70135	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72119	0.9
53.23159	0.9
66.86655	1.2
69.03424	1.5
80.26904	0.9
81.03450	1.9
85.01139	1.1
97.02881	2.2
99.04465	12.5
108.04517	1.2
112.03989	2.3
112.85867	1.0
116.01691	1.2
127.02097	1.2
130.04991	2.6
131.01628	100.0
141.03690	2.4
145.03163	5.1
146.48857	1.1
147.62978	1.0
154.03223	2.1
154.04982	15.2
155.04541	1.9
156.04773	8.2
160.04167	1.3
162.02220	2.2
167.01669	2.0
169.34544	1.0
174.05832	12.0
184.06108	1.4
185.02663	20.5
188.03809	1.9
189.03198	1.6
202.07112	1.7
215.27956	1.1
232.06206	1.6
235.07054	2.6
257.05872	1.2
259.15848	1.3
260.05835	14.6
277.08563	8.8
286.06497	1.3
319.07245	1.2
339.09549	1.4
355.09598	25.6
367.09677	1.7
385.10657	14.2
403.11703	22.4
421.12744	29.7
439.13858	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1387
Annotation	Kotanin
Peak:m/z	Relative Intensity
60.50973	0.3
62.85729	0.3
75.57877	0.4
84.82909	0.4
94.42476	0.4
95.08569	0.5
109.10175	0.4
115.53896	0.4
135.08003	0.5
147.08058	1.9
159.10217	0.5
163.07559	1.8
175.07561	1.6
186.89026	0.4
191.07031	5.4
219.06569	2.3
220.07339	3.6
239.79428	0.5
279.19589	0.4
302.12738	0.5
302.42035	0.4
303.10104	0.5
333.14740	0.7
335.12784	5.7
337.06845	0.5
346.11990	2.9
347.25882	1.8
348.09970	2.0
351.12088	0.7
361.10788	0.9
362.11533	3.0
363.12390	0.8
365.13757	0.6
377.13733	2.9
380.12750	0.5
390.10931	0.7
392.08990	1.9
393.09402	7.9
393.12643	1.1
406.10434	1.0
407.11328	3.4
411.14514	1.6
421.12741	2.0
421.29056	0.5
439.13861	100.0
439.30606	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1388
Annotation	Kotanin
Peak:m/z	Relative Intensity
50.05730	4.3
50.39009	4.0
52.52315	3.7
57.42058	3.4
67.05473	5.6
73.70975	4.1
73.93190	4.4
91.05469	59.5
91.36588	3.9
93.03400	4.9
97.02895	61.4
105.48328	4.8
115.24940	4.5
123.69756	5.7
137.05978	73.4
149.02286	7.2
149.06102	4.8
151.03946	7.3
157.49355	4.4
167.03381	23.8
181.06470	33.5
189.05461	7.8
199.07516	10.1
201.05397	11.7
203.06992	8.9
207.06593	23.5
213.09103	11.3
219.06435	6.9
221.05956	11.1
237.02913	11.4
237.05330	6.3
241.08598	10.8
243.63478	4.9
253.08682	6.1
269.07947	7.7
272.10406	17.1
297.07458	17.0
307.09506	5.3
315.10327	6.0
319.08249	6.3
320.09155	7.0
325.10843	5.7
327.10077	9.5
328.07300	5.2
331.09799	5.1
334.10651	11.0
336.12070	9.1
343.09836	6.8
363.12283	6.7
383.10706	28.6
393.13202	11.6
399.07416	7.7
403.11667	23.6
421.12680	69.3
439.13693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	1.0
82.03945	1.1
83.01099	1.0
83.16888	0.8
95.01091	2.0
96.01865	1.3
113.02126	3.4
126.02901	1.2
129.01337	0.9
185.04211	5.0
201.03679	1.0
202.06071	5.8
217.34273	1.0
220.05998	1.0
222.85733	0.9
439.15765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51451	1.6
57.07093	2.1
57.45978	1.3
59.09917	1.4
67.05515	2.8
69.07077	10.9
78.01177	1.3
81.07061	11.1
83.08652	1.9
95.08596	2.1
107.08635	2.3
109.10185	2.3
113.70605	1.5
115.31334	1.6
124.15696	1.6
131.87294	1.4
134.29227	1.5
135.10793	1.6
137.92232	1.5
171.08110	2.9
173.09682	3.3
185.09622	3.7
187.07605	1.7
187.11140	3.3
197.09625	3.7
199.07524	8.2
201.09238	12.4
201.10786	1.5
202.43991	1.6
213.09146	13.1
215.10695	24.1
218.05823	1.6
227.10719	8.1
227.14255	2.6
229.08580	3.4
237.12762	2.1
238.09454	1.6
240.11484	3.0
241.08565	11.8
241.12239	2.2
253.12280	2.5
253.15814	3.4
255.13712	19.4
256.14532	2.6
259.09552	1.8
269.15347	17.6
271.16928	3.2
281.11707	1.7
297.14832	10.3
299.12842	8.5
300.13007	15.1
301.14346	2.2
301.91003	1.8
315.15900	100.0
315.93839	1.7
337.21719	6.0
338.20828	2.1
365.21091	2.4
368.19116	3.4
382.46136	1.6
389.24661	1.7
406.24582	1.9
424.25620	57.1
439.28284	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2843
Annotation	3-Methyl-sargaquinoic acid
Peak:m/z	Relative Intensity
51.51451	1.6
57.07093	2.1
57.45978	1.3
59.09917	1.4
67.05515	2.8
69.07077	10.9
78.01177	1.3
81.07061	11.1
83.08652	1.9
95.08596	2.1
107.08635	2.3
109.10185	2.3
113.70605	1.5
115.31334	1.6
124.15696	1.6
131.87294	1.4
134.29227	1.5
135.10793	1.6
137.92232	1.5
171.08110	2.9
173.09682	3.3
185.09622	3.7
187.07605	1.7
187.11140	3.3
197.09625	3.7
199.07524	8.2
201.09238	12.4
201.10786	1.5
202.43991	1.6
213.09146	13.1
215.10695	24.1
218.05823	1.6
227.10719	8.1
227.14255	2.6
229.08580	3.4
237.12762	2.1
238.09454	1.6
240.11484	3.0
241.08565	11.8
241.12239	2.2
253.12280	2.5
253.15814	3.4
255.13712	19.4
256.14532	2.6
259.09552	1.8
269.15347	17.6
271.16928	3.2
281.11707	1.7
297.14832	10.3
299.12842	8.5
300.13007	15.1
301.14346	2.2
301.91003	1.8
315.15900	100.0
315.93839	1.7
337.21719	6.0
338.20828	2.1
365.21091	2.4
368.19116	3.4
382.46136	1.6
389.24661	1.7
406.24582	1.9
424.25620	57.1
439.28284	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53601	1.6
55.05512	9.9
55.94427	2.1
56.20314	1.5
57.07089	2.0
62.21851	1.9
62.95201	1.7
65.23273	1.6
67.05502	12.5
68.97171	1.7
69.06699	2.4
69.07069	55.0
74.97325	1.8
75.28466	1.7
81.07052	13.1
83.08611	14.4
95.08617	16.1
95.09124	2.0
97.10178	2.4
107.08605	7.5
109.10159	52.9
121.10135	4.3
123.11713	11.5
126.60542	2.1
135.11694	3.2
137.13246	3.0
149.13223	2.3
161.94872	2.4
163.46780	2.0
171.08232	2.0
173.05959	2.6
185.09669	3.3
187.07600	3.7
195.46085	2.1
199.07506	3.0
199.11229	2.5
201.09163	8.6
211.11203	2.7
213.09077	10.2
215.07071	3.7
215.10641	9.8
217.12216	4.4
225.09091	4.3
227.07042	3.3
227.10617	13.8
229.08691	6.5
229.12282	4.4
231.10196	3.1
233.11792	3.0
239.07007	3.5
239.10738	10.9
240.11345	2.8
241.08528	3.8
241.12109	13.6
243.10229	9.4
245.08081	4.3
246.08580	2.8
247.09343	2.2
249.11287	3.8
253.08517	4.3
253.12294	10.0
253.15807	2.7
255.10188	10.8
255.13797	9.9
261.11066	2.7
263.14389	3.3
267.10138	7.6
267.13742	7.9
269.11557	2.6
269.15390	4.2
271.09644	2.4
271.16510	2.2
273.11218	3.6
281.11942	4.1
281.15356	17.8
283.16806	3.8
285.11337	4.0
287.13028	3.3
295.13565	2.3
295.16702	5.7
297.14804	4.2
299.12738	8.7
299.16437	2.3
300.13278	7.9
301.14319	3.8
309.14874	16.6
313.14377	3.0
315.15814	3.7
317.17453	3.6
323.16245	2.7
325.21689	4.7
327.15759	16.5
337.21616	33.4
340.16434	4.1
341.17621	7.9
355.18842	3.3
355.22803	12.2
365.21115	14.4
371.22217	2.7
383.22113	85.0
393.27866	10.5
424.25595	59.9
439.28296	100.0
439.34674	5.6
445.49991	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.0
57.07072	4.0
64.19917	4.8
67.05508	7.2
69.07072	42.6
77.47143	5.2
80.60835	4.2
81.07060	29.6
83.08602	4.9
90.67098	4.1
93.07052	4.5
95.08607	9.8
107.08566	5.7
109.10161	26.2
120.06511	4.7
123.11689	19.3
135.11705	5.6
137.42816	4.3
148.30261	4.7
164.72850	4.5
177.47685	4.2
180.60094	4.6
213.09090	6.1
224.70164	5.3
231.06433	7.4
232.07047	9.8
233.08038	6.7
234.08371	6.8
248.19463	5.2
272.10260	7.7
315.16019	6.3
315.82602	5.6
317.17801	6.2
338.19867	6.6
355.18915	25.5
356.19345	100.0
357.20587	17.2
376.16055	5.0
393.27774	11.6
439.28485	35.0
453.69833	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2842
Annotation	Ochrolifuanine A
Peak:m/z	Relative Intensity
67.50524	7.0
69.07073	54.8
81.07048	60.1
88.12222	8.5
95.08626	10.5
163.69955	8.0
247.09772	37.8
259.09558	39.2
269.15417	10.4
279.52588	9.4
281.15384	17.7
315.15808	12.8
323.24432	11.7
325.21231	10.4
327.15973	31.3
337.21674	39.7
365.20697	9.6
376.32257	11.1
383.22168	34.4
439.28403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12969	3.1
55.05510	13.1
55.97353	3.6
57.07078	16.9
67.05499	21.1
69.07060	27.0
71.08627	7.5
75.10165	3.5
79.05500	7.4
81.07059	41.4
83.08632	7.0
85.06552	9.0
89.99847	4.1
91.05470	5.4
93.07018	27.2
95.08595	38.0
97.06546	6.6
99.08109	4.8
105.07017	14.7
107.08577	31.3
109.06525	7.6
109.10156	19.0
111.04443	19.0
121.10130	21.2
123.08033	4.5
123.11682	6.7
125.06017	6.0
131.08522	4.0
133.10107	4.9
135.08046	7.1
135.11723	16.0
137.05974	21.8
142.08701	3.7
147.11612	3.9
149.09622	6.8
149.13278	6.3
149.75565	3.9
153.12732	5.7
163.11089	4.9
165.12814	5.3
173.13153	4.2
177.12936	3.9
179.14226	5.1
181.12169	5.6
183.13788	3.9
191.14375	6.0
219.74817	3.8
257.17471	7.1
263.19955	5.2
268.26331	13.5
277.21597	7.0
305.24774	62.2
319.26263	9.2
347.25784	100.0
365.26913	15.8
398.28650	5.5
421.29544	81.9
439.19547	14.1
439.30545	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3053
Annotation	Anisodorin 3
Peak:m/z	Relative Intensity
55.05521	7.0
57.03434	4.0
57.07078	16.3
67.05504	15.9
69.07079	24.0
71.04974	3.1
75.38013	2.7
79.05503	7.5
81.07076	25.7
83.04984	21.8
83.08640	12.6
85.06550	12.8
93.07043	19.7
95.08611	32.3
97.06533	7.1
98.10682	2.9
99.08104	3.6
105.07060	4.9
107.08612	33.7
109.06506	15.8
109.10162	18.3
111.04452	16.7
111.08097	5.8
117.06986	3.0
119.08589	5.2
121.10143	20.0
123.08052	7.1
123.11695	7.1
125.06007	5.7
125.09672	3.6
127.29068	2.8
131.08672	3.3
132.45500	3.1
133.10110	6.1
135.08069	13.9
135.11717	15.5
137.05992	21.1
145.10152	5.5
149.13277	14.2
153.12708	3.6
159.11684	6.1
161.09680	5.9
177.12737	6.7
179.14380	4.5
181.12167	4.8
195.13712	4.5
202.46700	3.0
221.18921	3.8
223.20459	23.1
235.20532	6.0
263.20081	3.6
279.19513	16.8
305.24741	56.6
319.26315	14.3
329.24716	5.8
347.25812	100.0
353.23309	32.5
365.26761	7.7
421.29434	68.2
439.30664	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30677	0.2
50.83742	0.2
54.07728	0.2
55.05523	0.3
57.03439	1.2
57.07082	8.3
58.80133	0.2
64.61697	0.2
67.05499	0.5
69.07055	0.6
71.08627	0.3
75.34325	0.2
78.16375	0.2
79.05486	0.4
80.30049	0.2
81.07037	1.6
85.06551	4.4
85.10155	0.2
93.07047	0.5
95.08625	1.7
97.06538	0.5
98.98450	0.6
103.07584	0.5
105.07109	0.2
107.08575	1.1
109.05770	0.4
109.06520	10.6
109.10109	1.0
109.52229	0.3
119.08598	0.4
121.10128	0.4
123.08051	1.7
123.11719	0.3
133.10117	0.3
135.08098	0.3
135.11734	0.3
142.08679	0.4
147.11745	0.3
151.07535	0.5
155.01047	1.2
159.10149	3.2
165.69865	0.3
197.30237	0.3
263.20044	100.0
293.20969	0.5
319.22714	1.1
337.23489	0.5
341.30505	0.6
347.25775	1.1
365.26675	1.8
421.29498	15.7
421.35132	0.6
439.30399	5.4
439.35748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68795	0.9
54.12764	1.0
55.05518	2.8
57.03428	1.3
57.07081	2.6
57.67352	1.0
61.68818	1.1
67.05493	10.0
69.07076	18.9
71.08628	2.8
79.05489	6.2
79.99239	1.0
81.07061	11.9
83.04983	1.8
83.08623	5.0
85.10169	1.2
89.06032	1.8
93.07041	12.3
95.08625	8.0
97.06522	7.4
99.08117	1.4
107.08583	10.3
109.10153	7.3
111.08067	1.8
111.11745	1.6
111.33545	1.3
121.10163	1.7
133.00078	1.4
135.11696	22.0
137.09726	1.1
145.10100	1.4
147.11696	1.3
153.12750	6.9
155.00990	1.5
167.14285	7.9
179.14285	7.5
193.12239	100.0
196.16945	2.0
199.13336	1.6
205.15837	10.8
217.14351	6.2
221.15396	1.9
255.15948	10.0
273.16934	10.9
307.89578	1.3
319.26324	8.0
347.25781	41.2
365.26868	1.3
383.23691	1.2
421.29489	38.0
439.30719	12.4
456.00311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3052
Annotation	Anisodorin 3
Peak:m/z	Relative Intensity
55.01892	1.5
55.05506	5.8
57.03441	1.7
57.07072	16.0
57.29046	1.2
67.05499	10.5
68.99280	1.6
69.07063	18.4
71.04965	1.5
71.08627	5.8
79.05508	7.0
79.73771	1.2
81.07056	24.9
82.89091	1.4
83.04969	2.8
83.08607	7.7
85.06548	14.7
86.06482	1.5
91.05531	1.8
91.71481	1.3
93.07037	16.9
95.08612	24.7
95.44325	1.5
97.06535	6.8
97.10153	1.5
105.07030	7.6
107.08586	21.0
109.06520	9.9
109.10147	11.2
111.04417	13.3
111.08077	2.0
117.20799	1.2
119.08575	9.4
121.10079	12.2
123.08058	9.6
123.11721	5.6
125.05155	1.6
125.06009	7.1
131.08528	3.4
133.10106	10.3
135.08018	9.7
135.11693	14.6
137.05974	28.0
137.09569	5.7
137.13300	1.5
139.11214	1.8
145.10121	6.1
147.11708	7.8
149.09665	3.1
149.13278	3.4
151.07503	5.9
153.12756	6.2
157.22391	1.4
159.11777	2.5
161.09608	1.9
161.13235	5.6
163.11148	3.4
163.14891	1.7
165.09151	2.0
165.12761	8.1
177.12764	7.2
179.14282	9.6
181.12186	5.2
193.12280	3.0
207.13812	2.3
221.18988	6.9
235.20468	1.9
249.18604	1.8
263.20108	7.5
264.78912	1.4
277.21454	1.7
301.25131	1.5
305.24698	49.8
319.26218	17.9
329.24728	3.2
347.25766	100.0
348.80444	1.4
365.26849	8.9
411.31030	6.9
421.29434	85.9
431.16745	1.5
439.30539	67.6
439.35754	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.5
57.07068	15.2
67.05512	12.8
69.07059	24.1
71.08627	5.3
72.52520	2.8
78.17285	2.9
78.55836	3.0
79.05482	6.4
81.07069	20.4
83.08596	4.1
85.06524	3.0
92.90875	3.3
93.07044	12.9
95.08596	11.7
97.06523	12.8
98.98480	4.3
107.08591	17.6
109.06493	6.0
109.10132	7.3
135.11678	23.0
155.01028	7.0
179.14249	6.6
193.12242	98.8
194.90947	3.0
205.15854	16.3
211.80453	3.3
217.14407	5.3
221.15266	3.9
263.20053	100.0
283.79932	3.1
291.12579	3.4
305.24783	3.6
319.26303	4.4
341.30774	6.5
347.25793	50.8
365.26956	4.4
421.29495	98.1
439.24255	3.7
439.30289	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.31926	1.9
52.59211	1.5
55.05515	8.6
57.07071	11.5
57.75951	1.9
62.86222	2.0
67.05502	12.2
69.07076	20.3
70.06602	4.5
71.08631	3.8
79.05479	2.3
81.06618	3.1
81.07064	77.6
83.08634	12.3
93.07045	10.4
95.06995	2.0
95.08611	100.0
97.10158	3.3
104.56638	1.7
105.07028	8.9
107.08620	11.3
109.10159	46.4
111.11695	2.3
112.08739	2.8
115.47277	1.8
116.07114	3.5
119.08559	11.7
121.10145	14.9
123.11705	43.7
131.08577	7.2
133.10123	8.6
135.11705	8.6
137.12164	3.1
137.13251	80.0
145.10135	4.1
147.11673	4.6
149.13289	4.6
151.14847	2.3
155.01111	3.0
158.09218	3.1
159.11749	3.4
161.13277	8.4
171.11633	3.3
173.13283	10.0
175.11861	3.5
175.14767	7.5
179.16519	2.1
179.17903	13.7
185.13254	4.0
187.14848	4.8
193.99699	2.0
199.14804	13.8
201.16389	11.4
213.16344	16.1
215.17934	11.0
227.17995	4.4
241.19514	8.1
243.21059	8.4
255.20967	2.8
259.16904	10.6
267.26611	2.0
269.22589	2.9
287.20059	2.9
289.21686	2.1
301.21594	2.3
393.35156	26.8
421.34357	2.2
439.35962	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.07068	1.8
63.41716	2.4
67.05508	5.1
68.52950	2.0
69.07062	17.4
81.07069	20.4
83.08632	9.3
93.07047	12.7
93.59639	2.3
95.08599	55.6
97.10178	5.1
97.35585	2.5
105.07023	10.1
107.08578	36.1
109.10154	40.2
119.08572	34.6
121.10139	34.8
123.11722	16.1
133.10124	30.6
135.05582	2.0
135.11700	30.8
137.13269	9.8
145.10173	2.7
147.11671	26.8
149.13219	18.5
153.09091	4.8
159.11708	3.1
161.13249	17.1
163.14787	20.5
167.10655	2.6
175.14867	9.1
177.16353	11.1
189.16377	41.8
191.17937	100.0
192.90388	2.1
201.12450	2.2
201.16429	7.5
203.17946	93.5
205.19658	18.1
211.67880	2.4
212.89680	2.4
215.17876	3.3
217.19592	9.9
221.18939	2.8
231.21045	2.8
235.16951	2.4
243.13840	2.5
247.16855	4.0
249.18448	16.9
254.62556	2.2
383.22290	9.3
393.35043	8.3
429.40643	2.1
439.28845	4.1
439.35855	91.6
449.16919	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.61523	4.3
55.05503	8.5
57.07088	6.7
58.94758	4.0
59.60004	3.3
62.01099	3.7
67.05499	24.1
69.03422	4.1
69.07068	31.1
71.04986	4.9
71.20638	4.8
79.05508	7.1
81.07056	44.5
82.43019	4.6
83.04967	4.0
83.08602	8.4
91.05476	9.6
93.07043	48.2
95.08602	65.4
96.37468	4.3
97.10165	8.0
105.07020	47.1
107.08595	65.7
109.06516	9.5
109.10149	61.3
117.07001	5.7
119.08589	36.3
121.10133	29.9
123.11723	22.2
125.09641	8.3
131.08585	11.2
133.10135	32.6
135.11702	34.7
137.06018	5.5
137.09605	7.2
137.41214	5.0
145.10118	27.4
147.11684	29.5
149.13252	10.5
151.11096	6.0
154.68121	4.9
157.10091	10.4
159.11658	29.0
161.13242	19.4
163.11209	5.1
171.11787	8.9
173.13300	20.9
175.11270	5.6
175.14735	18.7
185.13252	9.1
187.14783	11.2
189.16444	9.1
194.05894	5.0
199.14827	8.7
201.16402	8.8
203.18083	5.1
203.52078	4.9
215.17923	7.2
225.16467	6.0
227.17924	6.5
247.66974	4.6
261.48056	5.0
269.22589	9.6
281.22723	5.5
346.69485	4.7
365.91064	5.0
403.33600	6.4
421.34659	30.0
439.36008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.11407	0.9
53.86880	1.3
55.05517	7.4
56.38433	1.2
57.07085	2.4
62.62120	1.0
66.92191	1.0
67.05511	3.0
69.07066	10.7
71.08625	1.5
72.11356	1.1
79.05515	2.7
80.54722	1.3
80.55137	1.0
81.07060	22.2
83.08627	8.1
85.10214	1.1
88.50767	1.2
91.05457	2.9
91.06822	1.1
93.07048	11.4
95.08612	42.3
97.06515	1.2
97.10174	2.9
105.07029	8.5
107.08597	24.0
109.10159	29.5
110.42908	1.1
111.11757	1.2
114.83446	1.2
119.08591	25.0
121.10152	23.0
123.11713	13.5
131.08586	1.5
133.10127	22.8
135.11699	22.9
137.13271	8.5
139.07581	1.6
145.10136	2.2
147.11684	25.6
147.12735	1.7
149.13237	22.8
153.09111	5.9
159.11682	2.9
161.13239	18.6
163.14856	7.9
167.10732	2.7
172.46913	1.2
173.13263	2.9
175.14815	13.1
177.16428	5.2
179.10786	1.5
179.68414	1.3
187.14874	2.3
189.16365	52.3
189.18001	2.4
191.17950	65.8
201.16365	13.7
203.17955	100.0
205.19530	16.0
207.17566	1.6
213.16524	1.8
215.17967	4.8
217.19542	6.8
221.19069	2.3
231.20955	1.6
235.16983	5.9
241.19617	1.6
243.21326	1.3
247.17014	6.4
249.18492	17.0
255.21153	1.5
257.22696	2.0
261.18564	1.7
269.22745	1.8
289.21585	1.8
393.35129	8.3
421.34677	5.4
439.35806	91.0
462.94547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35279	0.3
53.60556	0.3
75.32009	0.4
92.21534	0.6
95.12814	0.3
102.22762	0.3
109.76733	0.3
111.23122	0.3
121.02859	4.9
121.03641	0.5
159.04445	0.8
175.03864	1.0
177.05408	1.3
178.08517	0.5
181.53662	0.5
190.05019	0.4
192.06561	2.1
203.03436	0.9
221.04472	0.5
230.80283	0.4
290.08066	3.2
292.09680	7.4
318.07593	6.1
319.08298	2.0
320.09042	6.0
334.10892	3.6
378.09772	0.5
382.10721	0.6
394.10742	0.7
396.08582	0.5
410.10233	1.0
412.11874	3.7
422.08694	0.9
440.11234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04564	0.3
121.02866	4.5
142.90443	0.3
148.54700	0.3
180.12244	0.3
195.42596	0.3
277.07379	0.5
288.06409	0.4
290.07904	2.2
292.09659	6.6
318.07681	5.1
319.08240	0.6
320.09152	6.1
328.31409	0.3
334.07037	1.1
337.77548	0.3
344.74005	0.3
349.09332	0.4
353.22043	0.3
382.10614	1.1
396.08389	0.8
397.09164	0.3
410.10303	0.5
412.11923	3.0
422.12494	0.7
438.09659	0.5
440.11267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67409	0.4
58.06597	2.1
92.88283	0.3
121.02862	3.2
167.81517	0.4
171.66971	0.4
176.26527	0.4
208.98878	0.4
233.06093	0.4
262.08972	0.5
288.06900	0.5
290.08112	2.8
292.09741	6.1
318.07684	5.3
319.08426	2.9
320.09137	6.5
334.07123	0.6
334.10788	2.7
348.08707	2.3
382.10605	0.8
410.10309	1.6
412.11810	2.3
422.12384	2.7
438.09827	0.6
440.11249	100.0
440.24118	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
69.47251	0.4
97.99195	0.4
100.10301	0.4
121.02867	3.9
174.05539	2.2
190.04961	0.6
290.07999	3.2
292.09628	7.4
304.06021	0.7
318.07465	6.5
319.08362	3.0
320.09097	7.4
334.10687	4.9
348.08862	0.5
350.06454	1.0
379.11856	0.8
396.08740	0.6
410.10248	0.8
412.11783	2.9
422.12347	19.9
438.09799	0.5
440.11234	100.0
440.24219	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38589	0.5
71.99805	0.5
91.79548	0.5
98.16218	0.5
116.32148	0.5
118.11153	0.6
121.02862	4.7
202.29831	0.5
210.08960	0.8
215.93250	0.6
226.00510	0.5
235.57535	0.6
288.06235	0.6
290.08124	1.8
292.09732	7.9
314.22241	0.7
318.07568	4.3
319.08426	0.6
320.09201	6.8
334.10797	0.7
394.10254	0.8
412.11505	2.7
418.12759	0.8
440.11188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38589	0.5
71.99805	0.5
91.79548	0.5
98.16218	0.5
116.32148	0.5
118.11153	0.6
121.02862	4.7
202.29831	0.5
210.08960	0.8
215.93250	0.6
226.00510	0.5
235.57535	0.6
288.06235	0.6
290.08124	1.8
292.09732	7.9
314.22241	0.7
318.07568	4.3
319.08426	0.6
320.09201	6.8
334.10797	0.7
394.10254	0.8
412.11505	2.7
418.12759	0.8
440.11188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31332	0.4
65.90439	0.4
93.52035	0.4
104.03300	0.4
121.02892	3.8
173.04744	1.1
174.05519	5.6
175.03906	0.6
176.07077	0.6
188.03423	1.1
190.04959	2.3
236.75555	0.5
290.08240	3.7
292.09744	7.3
304.06064	0.6
318.07593	5.9
318.10898	0.8
319.08206	2.2
320.09097	9.0
331.13943	0.5
333.09744	0.8
334.10828	4.1
346.06955	1.0
348.08621	1.8
361.09583	0.9
362.10489	0.9
364.08096	3.2
366.13055	0.8
376.11707	0.8
378.09558	2.8
379.09927	0.6
392.07230	0.7
396.08713	0.6
406.09247	2.3
407.09656	1.8
410.09891	1.0
412.11560	3.4
422.12329	62.4
440.11240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08190	0.5
68.02979	0.5
79.26352	0.6
83.99197	0.6
84.67301	0.6
149.05948	1.0
153.95903	0.6
167.07013	1.1
185.63853	0.7
211.27122	0.6
290.08066	1.1
303.08820	0.8
305.10532	0.7
308.09161	2.7
315.08990	0.9
319.08383	1.0
320.09116	2.9
322.07047	7.5
322.10770	4.8
332.09109	2.9
333.09814	2.5
334.10712	3.3
335.11270	0.8
336.08719	7.1
337.09442	20.2
343.08466	1.0
344.09024	1.0
345.09952	1.2
346.10510	0.8
347.11426	6.1
348.08444	0.8
348.12323	1.1
350.10123	2.5
351.10892	2.1
352.11832	9.4
358.06534	0.7
359.07877	1.0
360.08716	6.5
361.09436	3.7
362.10150	3.7
363.10794	2.9
364.18402	0.7
374.06223	1.0
376.12024	1.5
377.12646	1.2
378.13391	7.6
380.11124	1.1
388.08154	10.3
389.09027	6.7
404.11301	50.4
412.11664	0.7
422.12323	100.0
440.12015	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86045	0.8
75.86008	0.8
81.07058	1.5
84.76646	0.9
91.05479	1.0
93.07059	0.9
105.07056	1.3
107.08597	1.3
120.08115	1.4
121.06500	3.8
121.63514	0.8
161.06018	1.0
270.14944	1.9
306.07739	6.8
306.10757	0.9
316.06528	0.9
318.07645	1.0
320.09158	13.9
322.07065	0.9
323.08014	4.2
333.06277	3.9
334.07211	11.0
336.12396	4.0
348.08685	4.6
368.13083	1.4
379.12036	1.6
380.13287	1.2
382.10559	9.5
394.10645	3.3
396.12289	13.6
397.13269	1.4
407.11606	1.0
408.12173	2.0
410.10208	23.2
412.11478	1.1
424.11835	7.3
425.12463	7.8
440.14938	100.0
440.24677	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48027	0.3
57.04770	0.3
57.50957	0.3
66.86189	0.3
67.82719	0.4
111.91068	0.3
120.58348	0.4
121.06496	0.5
129.02055	0.4
165.30580	0.4
318.07626	5.1
319.08438	0.5
331.08679	0.4
332.09253	1.6
334.06857	0.7
336.12314	4.2
382.14737	0.6
396.12299	0.8
407.11392	0.6
412.15384	5.0
422.14130	2.4
424.11496	1.3
425.12515	2.0
440.14935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23792	1.2
57.07076	1.7
77.59320	1.2
88.68251	1.2
90.69388	1.2
112.33189	1.1
169.43069	1.4
204.42307	1.3
239.26189	1.3
291.09021	2.0
306.07599	10.3
320.09241	7.6
321.09692	1.6
323.07858	2.2
333.06268	2.6
334.07034	10.9
336.12320	1.7
348.08591	6.6
348.26385	1.3
350.78391	1.3
358.06802	1.7
378.11429	1.6
379.12167	2.8
382.10944	2.9
396.12274	9.9
397.13113	5.4
408.12418	2.2
410.10123	17.5
412.11462	1.8
422.29495	1.7
424.11859	8.8
425.12503	5.2
440.14944	100.0
440.30911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86045	0.8
75.86008	0.8
81.07058	1.5
84.76646	0.9
91.05479	1.0
93.07059	0.9
105.07056	1.3
107.08597	1.3
120.08115	1.4
121.06500	3.8
121.63514	0.8
161.06018	1.0
270.14944	1.9
306.07739	6.8
306.10757	0.9
316.06528	0.9
318.07645	1.0
320.09158	13.9
322.07065	0.9
323.08014	4.2
333.06277	3.9
334.07211	11.0
336.12396	4.0
348.08685	4.6
368.13083	1.4
379.12036	1.6
380.13287	1.2
382.10559	9.5
394.10645	3.3
396.12289	13.6
397.13269	1.4
407.11606	1.0
408.12173	2.0
410.10208	23.2
412.11478	1.1
424.11835	7.3
425.12463	7.8
440.14938	100.0
440.24677	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03053	0.2
52.25421	0.2
76.81487	0.3
80.15609	0.3
90.51884	0.2
121.06448	0.3
122.58396	0.4
150.65160	0.3
204.06978	0.3
218.33401	0.3
244.33533	0.3
290.07843	0.3
292.09711	3.7
318.07297	0.4
320.09183	100.0
440.15222	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45859	0.2
81.08267	0.2
82.97771	0.2
85.01088	0.2
100.50769	0.2
104.00342	0.2
123.23854	0.2
141.75313	0.2
206.14116	0.3
266.97281	0.2
292.09744	3.9
318.07635	0.5
320.09183	100.0
440.15475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55615	0.2
77.83491	0.2
79.05537	0.3
121.06501	0.2
167.07025	0.3
184.05928	0.3
286.80325	0.3
290.08231	0.4
292.09729	4.1
318.07785	1.0
320.09180	100.0
322.10770	0.3
410.73053	0.3
440.15076	3.4
440.34863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53497	0.4
54.12894	0.4
58.06602	1.1
69.03430	0.7
70.19646	0.5
75.19196	0.5
78.11608	0.4
81.03407	2.2
84.08112	0.5
85.02896	1.9
86.32059	0.4
97.02853	0.5
99.04453	10.2
102.08846	0.4
109.02871	0.6
121.06438	0.6
121.44486	0.4
137.05981	9.6
162.05371	0.5
165.07018	0.6
180.06552	100.0
187.04463	0.5
206.07726	0.4
217.67813	0.5
288.08688	1.0
306.09659	0.8
324.10986	1.0
342.11856	0.6
370.92175	0.5
422.14465	14.8
440.13272	13.1
440.21695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
58.06591	2.4
59.98554	0.5
70.06599	1.1
75.90572	0.5
77.77654	0.5
81.03403	0.5
84.08144	0.6
86.09721	0.7
87.58769	0.6
99.04427	5.3
99.05583	0.8
119.04916	0.5
137.05977	8.4
145.06102	0.8
157.41637	0.6
177.05595	0.7
180.06552	100.0
309.78732	0.6
324.10922	0.9
325.11636	4.6
340.13965	0.8
351.13293	1.0
396.15408	0.9
422.13953	0.7
440.13251	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.06602	2.5
61.02932	1.2
69.03432	11.9
73.02917	2.5
81.03417	7.4
84.08131	0.6
85.02133	0.7
85.02911	26.2
87.04472	2.0
91.03944	0.9
97.02908	7.3
99.04463	3.1
103.03964	1.2
109.02911	5.8
112.79969	0.6
113.02371	17.7
121.06513	1.5
123.04386	1.0
127.03922	16.6
137.05994	14.2
145.04962	4.8
149.06001	8.0
164.07085	4.5
166.08632	100.0
178.08556	1.0
208.09767	1.3
219.01808	3.0
237.02716	1.3
292.39731	0.7
302.34854	0.7
328.13965	1.1
380.04062	1.0
399.06049	3.3
440.15521	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1763
Annotation	Estramustine
Peak:m/z	Relative Intensity
51.95586	2.6
61.02943	2.7
63.03543	2.4
65.62830	2.5
69.03429	19.0
71.04996	3.0
72.04517	5.2
73.02941	2.9
74.76889	2.5
78.94544	2.3
81.03432	23.9
83.04970	3.4
84.04512	11.2
85.02901	22.0
85.50746	2.8
86.09711	4.5
96.04481	11.9
97.02888	26.7
98.06036	12.1
99.04462	55.9
101.59327	2.5
108.04503	24.2
109.02863	3.9
110.06030	12.2
111.04424	3.1
112.03916	4.3
114.05518	3.1
115.03865	3.5
116.07095	6.0
117.05446	3.8
120.04408	3.0
121.06520	3.3
122.06023	6.8
125.04698	4.7
126.05524	24.3
127.03897	17.3
129.05548	3.5
138.05527	25.1
140.07066	4.1
144.06569	25.9
145.04984	3.9
150.05534	11.2
156.06564	14.0
158.55391	3.0
160.16608	2.6
162.05495	9.8
162.07607	19.6
164.06976	4.3
168.06494	6.8
174.07603	21.4
180.06551	12.5
186.07634	4.8
192.06544	3.9
204.06549	3.7
204.08647	3.3
206.08093	3.4
210.07611	4.3
216.08652	2.9
222.07741	3.6
228.08679	4.8
234.07741	4.2
240.08687	12.3
252.08685	14.2
270.09683	19.3
277.64420	2.8
288.10715	27.2
306.11819	18.4
338.12265	15.0
368.13412	4.5
386.14554	26.0
398.00198	2.8
404.15540	73.6
422.16565	95.2
440.17538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16987	0.6
79.77162	0.6
81.31904	0.7
92.21474	0.7
114.88467	0.7
247.37479	0.7
266.41345	0.7
308.09070	0.9
323.11542	3.0
325.11801	78.4
340.14166	51.0
349.11734	10.0
351.09702	9.6
355.16422	9.9
364.14117	5.3
366.12033	18.7
381.14291	1.4
393.10764	16.3
408.13092	27.3
410.13428	11.0
413.87662	0.8
423.15445	5.2
425.15817	11.6
440.18161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69084	0.8
52.74226	0.6
59.90317	0.6
62.04873	0.7
72.64236	0.6
105.63968	0.8
148.36917	0.7
162.08824	0.7
171.82875	0.8
184.74829	0.8
239.78038	0.7
293.45255	0.8
304.58441	1.0
308.09576	1.3
323.11490	1.9
325.11819	73.6
340.14185	49.1
349.11813	12.2
351.09769	11.2
355.16589	6.1
364.14221	5.0
366.12091	16.4
368.26437	0.9
381.14215	2.2
393.10809	17.6
408.13168	30.0
408.18369	1.2
410.13522	12.7
423.15363	3.7
425.15622	9.6
440.18192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64989	1.1
57.40102	1.1
58.16693	1.1
58.50486	0.9
64.58154	1.1
75.56252	1.0
85.65676	1.1
159.81204	1.1
169.65067	1.1
219.51384	1.2
308.09241	1.6
323.11462	2.9
325.11798	79.3
325.15649	2.7
331.31451	1.1
340.14163	49.5
340.18195	2.0
349.11813	11.4
351.09750	9.8
355.16568	10.8
364.14319	4.6
366.12146	12.5
393.10654	15.2
408.13217	26.6
410.13513	13.0
423.15347	2.5
425.15900	11.7
440.18210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25782	1.1
60.62317	1.0
73.00666	1.2
74.47359	1.2
77.15649	1.1
89.74724	1.3
92.11904	1.2
99.05571	10.5
119.08543	1.7
130.05013	4.5
143.17914	1.1
145.06120	7.6
151.07643	1.4
151.34964	1.4
161.09697	1.4
179.10725	1.9
225.11292	2.1
243.12370	4.2
270.99265	1.3
274.10181	1.9
308.09213	1.5
323.11517	5.6
325.11804	81.5
340.14160	49.2
340.18213	2.3
349.11737	9.9
351.09729	9.8
355.16364	9.8
364.14163	2.1
366.12158	15.5
393.10916	18.2
408.13037	25.8
410.13489	12.8
420.79688	1.5
423.15634	5.1
425.15948	10.1
440.18201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51904	0.8
58.06605	95.9
67.64389	0.9
90.84432	1.0
96.17994	1.1
97.67351	1.0
99.04466	1.1
101.39457	1.0
235.07735	2.1
250.10101	1.6
263.07263	2.0
265.08743	6.1
266.09503	1.6
278.09409	1.7
281.08035	20.5
281.10541	1.0
294.11368	5.4
295.02563	1.2
296.10419	35.0
296.13361	1.5
297.11362	6.2
298.11600	1.1
308.09344	3.6
319.08331	1.3
322.10773	7.4
323.11499	21.8
326.13940	1.5
338.13840	71.0
341.16183	16.7
341.19553	1.1
342.17209	6.1
425.17761	1.1
440.20889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18386	0.6
58.06608	52.6
67.02937	0.5
75.61344	0.6
76.93508	0.6
84.08179	0.7
96.68974	0.7
99.04456	0.9
115.15519	0.7
121.06533	4.4
147.04456	1.1
158.73651	0.7
177.05574	0.9
211.74397	0.6
235.07565	0.7
246.11324	0.7
250.09926	0.7
263.06979	1.0
265.08658	3.1
278.09512	1.0
281.08035	10.9
294.11252	9.2
296.10455	22.1
296.13815	1.0
297.11264	1.5
299.12784	0.8
306.11307	1.2
308.09354	3.5
322.10660	11.0
323.11493	29.3
323.15158	1.0
324.12289	3.3
326.13739	0.9
338.13840	100.0
341.16223	10.6
342.17096	4.3
421.32773	0.8
422.12488	0.9
440.16122	5.1
440.20895	77.2
442.63901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	97.3
115.27658	1.3
234.05235	1.3
235.07544	4.1
239.70906	1.4
263.06955	2.4
265.08630	6.0
278.09280	1.8
281.08072	23.3
296.10422	36.8
297.11206	2.7
326.13821	1.3
341.16205	19.7
342.17108	12.4
440.20715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	97.3
115.27658	1.3
234.05235	1.3
235.07544	4.1
239.70906	1.4
263.06955	2.4
265.08630	6.0
278.09280	1.8
281.08072	23.3
296.10422	36.8
297.11206	2.7
326.13821	1.3
341.16205	19.7
342.17108	12.4
440.20715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	100.0
67.05529	1.0
70.06594	2.7
76.82816	1.0
83.50671	1.1
85.31715	1.0
87.20658	0.9
92.21025	1.2
107.04935	1.4
115.86800	1.1
121.06472	1.8
145.06471	4.2
162.05534	2.5
163.07530	5.4
164.07008	8.6
167.07001	14.4
180.10182	2.2
185.20309	1.1
190.04956	1.1
263.07095	1.6
265.08621	5.5
281.08008	14.7
294.11166	7.2
296.10416	27.9
296.13437	1.5
297.11163	2.1
308.09134	4.9
322.10703	10.6
323.11493	24.2
334.10825	2.4
338.09924	2.4
338.13858	64.6
341.16199	15.8
342.16928	8.2
405.18909	4.3
440.21011	90.4
440.26373	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18386	0.6
58.06608	52.6
67.02937	0.5
75.61344	0.6
76.93508	0.6
84.08179	0.7
96.68974	0.7
99.04456	0.9
115.15519	0.7
121.06533	4.4
147.04456	1.1
158.73651	0.7
177.05574	0.9
211.74397	0.6
235.07565	0.7
246.11324	0.7
250.09926	0.7
263.06979	1.0
265.08658	3.1
278.09512	1.0
281.08035	10.9
294.11252	9.2
296.10455	22.1
296.13815	1.0
297.11264	1.5
299.12784	0.8
306.11307	1.2
308.09354	3.5
322.10660	11.0
323.11493	29.3
323.15158	1.0
324.12289	3.3
326.13739	0.9
338.13840	100.0
341.16223	10.6
342.17096	4.3
421.32773	0.8
422.12488	0.9
440.16122	5.1
440.20895	77.2
442.63901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.7
61.52729	1.6
64.34793	1.7
67.05538	2.7
70.06619	2.5
77.39029	1.8
77.46581	1.5
81.07044	2.8
81.90842	2.0
83.04978	3.8
85.02911	3.6
93.07040	3.4
94.83846	1.9
95.04979	3.4
95.08600	4.0
97.06519	2.9
99.04473	9.5
105.07048	19.0
107.08576	9.7
109.10164	24.3
111.04421	3.3
119.08578	90.7
121.06475	24.0
121.10149	8.6
123.01061	2.1
123.08080	2.0
127.03926	7.3
133.06499	4.1
133.10136	41.4
137.09622	33.0
147.08047	11.6
151.07562	23.1
155.10632	14.3
161.09612	28.1
163.11162	10.9
164.07071	11.6
165.09114	64.1
165.10432	3.7
169.08588	2.8
179.10655	45.9
183.10179	23.1
189.09125	19.8
197.11723	44.3
207.10223	10.6
225.11198	45.4
243.12260	100.0
261.13290	10.1
325.11938	3.3
366.12314	2.0
408.13290	2.3
440.13412	6.5
440.18393	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49310	0.3
52.93579	0.3
53.53281	0.3
55.92171	0.2
56.79327	0.3
64.09570	0.3
78.04714	0.3
79.05495	0.7
91.05479	0.5
95.04878	0.3
95.76477	0.3
103.05471	1.6
105.07027	2.1
107.04949	6.0
117.00291	0.3
121.06493	2.0
123.04398	0.8
123.08109	0.5
124.05209	1.3
131.04938	6.0
131.08553	0.4
133.06505	4.4
135.08054	1.3
137.05975	2.2
145.06500	1.8
146.22421	0.3
147.04427	0.8
150.04604	0.3
151.03746	0.4
151.07512	2.5
152.04720	0.4
153.05498	0.5
157.06548	0.4
158.07245	0.4
159.08092	1.5
161.05978	7.3
163.07533	10.3
167.07034	100.0
169.06470	0.4
173.06044	1.1
173.09604	2.1
175.07541	1.8
177.09128	1.7
178.06436	0.5
179.07080	1.7
181.08600	3.6
187.07506	2.4
189.09033	0.6
190.06526	0.3
191.07312	1.2
192.07884	0.5
193.08606	13.7
201.09116	1.8
204.07994	0.6
205.08598	1.5
207.10143	0.4
207.38445	0.3
217.08759	0.6
219.10124	2.1
220.07550	1.4
231.07993	0.5
233.11754	2.9
235.06142	0.4
237.11198	2.2
249.07680	0.3
250.08723	1.3
251.12828	0.7
256.48572	0.3
263.10764	0.5
278.08215	3.0
291.10214	0.6
292.09546	0.4
294.11182	0.6
295.13446	0.6
318.07648	0.4
320.09045	1.3
322.10666	0.5
323.12549	1.4
334.10687	0.7
335.11145	0.6
336.12122	2.1
337.12668	0.5
338.14072	0.4
350.13876	7.1
352.15326	0.7
355.15417	9.5
385.80362	0.4
387.18015	9.3
405.19080	25.0
408.14816	0.5
423.19803	1.1
440.17307	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21619	0.8
53.93851	0.9
55.05509	2.3
56.76241	0.9
57.03441	9.3
57.07082	23.9
67.05499	6.7
69.07056	10.7
71.08266	1.7
71.08631	20.6
81.07060	15.5
83.08606	8.6
85.10180	13.5
86.65221	1.1
93.21734	0.9
95.08606	19.8
97.10157	5.7
102.05638	0.9
102.43985	1.1
103.07658	1.1
109.10157	9.3
110.33784	1.0
111.11746	1.6
121.89635	1.2
123.11708	1.8
137.01523	1.1
137.13242	1.2
155.02783	1.3
176.44072	1.0
182.03444	1.4
184.85287	1.2
191.03896	1.8
217.90419	1.0
243.23094	1.6
254.95850	1.3
268.26294	3.7
289.16910	1.1
299.25797	100.0
316.97141	1.3
440.19769	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
57.07082	21.3
62.06092	27.8
67.05496	2.9
69.07082	5.3
71.08627	18.0
81.07059	11.5
81.29369	2.8
83.08628	3.1
85.10178	12.8
95.08620	11.1
98.17235	2.5
109.10184	4.4
113.50404	2.9
126.70877	3.0
149.84766	2.6
155.00992	6.5
268.26334	18.6
299.25806	100.0
379.22394	14.9
422.26196	21.8
440.27600	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66664	3.7
55.05513	5.5
57.07080	23.2
59.05002	22.9
62.06093	28.1
63.18183	3.7
67.05517	6.0
69.07077	19.5
71.08627	21.7
81.07049	22.3
83.08617	5.6
84.09787	4.6
85.10166	6.3
90.03989	4.9
95.08604	30.2
97.10173	5.6
109.10162	6.3
124.16129	4.4
127.13901	5.3
149.24927	4.8
157.25754	5.0
268.26343	11.5
269.26721	9.8
299.25793	100.0
334.10779	5.3
348.26117	9.4
422.26425	11.0
440.18735	5.1
440.26804	16.4
440.31586	6.9
440.39072	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3156
Annotation	N-Arachidonyl dopamine
Peak:m/z	Relative Intensity
55.05520	0.9
56.34474	0.9
57.07076	4.5
69.07058	1.7
71.08625	1.8
81.07045	1.2
83.08634	1.2
85.10168	1.0
87.48153	0.7
95.08592	0.8
97.10220	0.7
138.74193	0.7
150.57870	0.7
155.07716	0.7
163.07329	0.7
175.06277	1.1
178.05032	3.0
180.05643	0.7
186.05466	6.1
187.06288	7.3
188.07086	4.7
200.07092	1.8
201.07843	3.4
212.07162	1.4
214.08704	1.8
215.05728	9.1
216.06554	44.3
218.08253	3.8
226.08687	1.8
229.07390	1.1
230.08081	0.9
231.30003	0.8
276.52460	0.8
309.50232	0.8
388.52237	0.8
397.29907	1.4
398.30450	6.7
409.33539	1.2
422.30640	10.5
440.31592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73007	2.4
55.05520	19.6
57.03461	2.8
57.07075	16.8
67.05518	33.2
69.07075	75.2
69.40529	2.5
71.08646	6.5
73.06550	3.4
79.05495	7.0
81.07063	62.1
83.08630	38.1
85.06565	4.2
85.10167	2.9
86.06068	5.8
87.84007	2.6
91.05474	5.9
93.07034	15.0
95.08607	65.1
97.06539	17.2
97.10159	24.4
98.24673	3.1
100.07622	4.5
105.07002	11.9
107.08601	17.5
109.10159	42.0
111.08067	6.2
111.11696	5.9
114.09179	6.1
119.08582	16.2
121.10146	16.5
123.08080	3.6
123.11710	16.0
125.05978	3.6
125.09647	4.6
133.10150	18.9
135.11659	5.4
137.13281	4.2
139.11191	3.4
143.07018	15.5
147.11710	14.4
150.82648	2.9
151.14923	4.1
161.13275	10.8
163.14822	6.3
165.16333	3.8
169.52727	2.7
245.22679	25.0
263.23715	43.6
280.26379	66.1
298.27377	13.4
299.25754	4.8
411.03931	2.7
440.33560	100.0
440.38818	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68430	2.6
55.05522	6.2
57.07085	35.8
62.62303	2.5
65.49524	2.6
66.85369	2.6
67.05508	47.5
69.07068	19.9
69.54274	2.7
69.54672	2.4
71.04999	3.1
71.08639	29.8
71.46513	2.9
73.85631	2.7
81.07062	31.8
83.08627	13.9
85.06535	3.6
85.10174	3.7
91.05486	4.3
93.07032	5.2
95.08607	25.9
95.96514	2.6
97.10161	16.8
100.07619	3.3
107.08585	3.6
109.10157	67.2
111.11741	4.2
119.08610	5.2
121.10158	10.6
129.27527	3.2
135.11681	6.4
137.09570	3.9
149.13242	4.2
155.10698	28.0
172.13312	100.0
173.11751	64.2
195.10127	6.3
222.87131	3.2
227.59137	3.1
247.24193	3.3
282.27933	42.1
296.25934	3.3
345.99164	3.3
368.35114	3.4
405.37216	15.7
422.40027	40.2
433.58658	3.4
440.36981	15.5
457.40387	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32203	0.8
56.43520	0.8
59.98771	0.7
69.07047	4.2
75.09130	0.8
99.04482	1.2
101.75767	0.9
111.11687	1.6
117.34260	0.9
129.12741	2.2
137.05905	1.1
171.89793	1.0
202.22490	1.1
225.07779	3.8
286.99100	1.0
294.07425	4.1
295.06989	5.5
308.07764	4.6
322.09583	6.9
336.11050	4.0
367.09225	100.0
381.10684	18.9
409.10229	1.3
413.12769	1.3
441.12704	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21553	0.1
53.93310	0.2
54.01204	0.2
56.22319	0.2
62.77794	0.2
63.76286	0.2
69.03419	0.2
72.54395	0.2
79.21688	0.2
83.04521	0.2
107.08574	0.4
117.76357	0.2
177.05367	0.2
295.07059	1.9
333.69000	0.2
334.10757	0.2
336.12622	0.2
367.09216	100.0
441.12845	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61320	0.3
63.89440	0.3
69.07054	1.6
74.68497	0.3
76.54205	0.3
85.02915	0.4
92.13903	0.3
95.91087	0.3
97.02925	0.5
98.88693	0.4
99.04437	0.4
111.11739	0.8
115.14305	0.3
120.36336	0.3
128.39163	0.3
129.12762	1.4
172.13562	0.4
177.05482	0.5
225.07721	1.0
257.06830	1.4
294.09958	0.4
295.06995	3.1
322.09500	8.8
357.18179	0.5
367.09244	100.0
368.09872	0.5
381.10800	1.9
409.10196	1.3
441.12888	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86145	1.2
55.01897	1.2
55.04819	1.3
58.06608	1.9
68.73479	1.3
70.06599	2.2
79.05489	5.9
81.03442	5.4
84.04498	2.1
85.04050	1.4
87.05602	10.1
91.05476	3.5
97.02901	6.4
99.04456	7.8
106.06552	3.1
107.04950	2.5
108.04511	1.9
109.02881	2.9
109.06541	2.8
110.06073	2.0
111.04421	1.8
119.04950	9.7
122.06002	1.4
125.04754	12.4
126.05540	5.8
127.03930	3.3
133.06093	2.0
134.06026	42.4
136.03983	2.3
136.07570	6.2
138.05498	3.1
144.01123	1.6
147.04413	100.0
149.07080	1.5
150.05429	2.4
152.07013	1.7
154.04919	1.8
162.02202	6.7
162.05421	2.2
163.03932	8.7
163.05186	1.4
177.06610	30.8
178.05002	17.8
179.08177	16.8
180.06642	2.1
182.04506	3.4
194.04453	3.0
206.04482	2.2
211.07103	7.4
223.07146	9.1
224.05577	7.7
241.08142	12.3
259.09259	2.6
266.69305	1.6
325.11835	7.6
351.09811	2.0
367.12836	5.2
387.11835	9.8
397.17551	8.6
405.12927	50.6
423.13818	6.9
441.17169	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97116	1.3
54.86189	1.2
57.63663	1.3
61.19800	1.5
62.28742	1.4
66.00759	1.3
92.21631	1.6
99.04488	2.3
113.42551	1.8
161.06003	3.3
167.06999	19.8
183.13654	1.6
190.06253	2.2
191.07079	3.6
199.07478	3.1
229.10463	1.6
243.59715	1.8
248.08292	2.5
255.08559	3.2
259.07486	6.2
263.10693	3.6
272.05042	2.0
273.08957	2.7
276.07785	7.8
277.08585	7.3
278.09497	1.9
287.06885	3.3
288.07724	9.9
289.08588	9.1
290.09424	3.7
291.10083	15.7
293.08038	2.8
304.07202	3.6
305.08167	9.1
305.11688	3.3
306.08813	3.3
308.10419	3.0
318.08902	2.2
319.09656	36.6
320.10345	20.9
321.07690	4.3
321.11130	36.0
323.12790	6.0
333.11188	1.7
336.09784	6.4
337.10794	24.0
351.12265	100.0
352.13068	47.9
364.13086	3.9
395.14993	14.8
441.15445	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1747
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
51.44340	0.2
54.61300	0.2
57.03415	0.2
69.03407	1.0
69.07058	0.3
73.02924	0.3
81.03431	3.0
82.09217	0.3
82.50381	0.2
85.02915	1.8
89.03905	1.2
93.61674	0.3
95.04967	0.3
97.02886	0.6
99.04465	0.3
109.02874	1.7
111.27622	0.3
117.03372	6.0
120.39782	0.2
135.04391	0.3
145.02844	44.6
147.04410	0.4
149.05981	2.7
152.00676	0.2
155.30988	0.2
163.03993	0.2
177.05458	100.0
180.30304	0.3
182.51373	0.3
186.05586	0.3
195.06487	3.4
200.60526	0.2
201.03682	1.5
203.05258	3.3
225.90727	0.3
240.83679	0.3
256.96170	0.3
261.11160	0.9
261.18237	1.0
263.19876	1.3
278.08157	0.3
279.08731	0.4
289.05270	0.3
316.49771	0.3
320.12802	0.3
321.09692	3.5
336.12201	0.4
339.10776	6.7
350.81573	0.3
355.17108	1.1
397.18228	1.7
441.17386	6.5
441.24481	24.2
451.52637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18558	1.6
60.91875	1.9
61.66278	1.6
62.50113	1.6
66.39490	1.8
67.63147	1.7
69.03422	10.2
69.07066	15.4
70.06580	2.6
71.43348	1.6
81.03430	9.5
82.70405	1.7
83.04974	3.8
85.02911	8.4
86.09708	79.9
91.05508	1.9
96.04494	40.4
97.02885	12.1
98.09681	4.6
99.04447	14.4
108.04478	3.7
112.03948	2.7
120.08123	12.8
120.89387	2.1
121.06463	2.6
122.06029	1.9
126.05499	3.9
128.10707	8.1
129.12741	2.7
132.08104	3.0
138.05450	3.7
142.32387	2.1
143.05795	2.5
144.06564	2.8
146.05978	2.4
152.10753	2.0
156.06552	2.0
164.10710	100.0
164.12091	4.2
164.61232	1.9
166.08640	9.6
168.10210	4.3
188.10699	2.1
194.11775	18.9
196.13297	17.1
198.09138	4.5
200.83942	2.0
210.11136	2.7
212.12807	35.6
214.14320	2.5
230.13855	94.1
234.11189	4.0
244.09663	21.4
264.42258	2.2
274.10785	2.0
279.17044	11.4
292.11853	10.6
357.18048	99.2
387.18823	13.9
400.20190	2.3
405.20193	78.2
423.21237	48.4
441.12503	7.4
441.22351	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	5.0
69.03435	5.0
69.07065	10.7
73.80673	2.9
77.47617	2.2
81.03436	24.1
84.08160	3.5
85.02890	5.0
86.09708	58.8
88.20934	2.3
91.05493	2.9
96.04476	4.9
97.02882	4.7
99.04455	15.8
108.04475	9.7
111.11688	2.6
112.03955	3.9
117.07019	4.5
120.08087	11.9
120.87724	2.6
121.06478	10.5
128.10693	5.8
135.08054	16.0
138.05502	4.3
140.88353	2.5
141.10190	3.5
145.75414	2.5
156.06648	4.2
164.10716	80.9
166.08652	11.9
168.10207	11.3
168.13966	2.7
174.09122	3.3
178.04944	4.4
194.11761	19.0
196.13365	15.5
198.09164	12.6
212.12825	26.7
220.09773	9.1
230.13855	58.5
244.09781	27.1
279.16953	5.8
292.11841	5.1
297.10721	10.7
311.17664	5.6
325.12598	9.5
353.28879	2.7
357.18042	100.0
381.10629	3.9
387.19202	12.4
405.20187	76.4
423.21350	37.3
441.12531	3.6
441.21802	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27364	1.1
55.05515	6.7
60.03840	1.4
67.05509	7.2
69.07070	12.5
71.08625	10.5
73.04460	1.2
76.00814	1.6
79.05491	2.6
81.07053	16.5
83.04970	1.8
83.08625	5.0
85.06564	1.7
91.05470	2.1
93.07041	8.5
95.08601	17.0
97.06544	1.5
97.10154	2.4
99.08105	8.3
105.07063	3.0
107.08596	11.1
109.10174	7.7
109.50222	1.6
119.08585	8.3
121.10149	10.0
123.08059	19.6
123.11687	6.9
123.91773	1.3
133.10136	12.6
135.08064	2.5
135.11696	6.0
137.09636	2.7
137.13275	2.1
145.10121	2.9
147.11708	2.4
149.09599	1.6
149.13271	5.7
153.12766	10.0
154.66614	1.5
161.13237	1.9
163.14870	1.5
165.12715	2.0
173.13182	1.8
175.14723	1.8
177.12633	1.8
179.14302	41.2
181.15842	1.5
189.16437	1.8
191.14311	9.1
193.15913	1.8
205.15987	1.7
251.20018	9.5
254.33458	1.6
275.20071	1.7
293.21194	11.0
303.26843	13.9
321.27661	1.9
331.26276	35.0
349.27338	37.4
367.28357	3.3
405.29935	7.9
423.31042	100.0
441.32224	6.2
441.37622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86678	0.7
55.05499	0.8
57.07076	3.4
67.05503	0.8
69.07060	1.6
71.08614	1.5
72.04513	13.0
79.05459	0.6
81.07057	1.0
83.08577	0.9
85.10165	1.4
93.07009	1.0
95.08559	1.0
96.31824	0.6
97.10142	0.8
119.88129	0.6
121.10139	3.1
126.19202	0.6
138.12750	1.5
139.11200	1.4
156.13817	0.8
166.15909	1.3
184.13248	4.9
212.23698	7.0
230.24776	19.3
238.17995	2.9
240.23190	100.0
258.24298	6.2
268.26208	0.7
423.39536	14.9
424.33667	2.7
424.38403	1.2
441.35672	8.1
441.41043	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05517	20.6
57.07078	6.9
59.93891	5.7
66.30145	4.1
67.05494	37.6
69.07069	62.7
71.04995	20.1
74.40023	4.8
79.05496	19.6
81.07059	84.6
83.08607	22.6
89.68076	5.2
89.68578	5.0
91.05506	5.1
92.78108	4.7
93.07031	54.0
95.08602	87.0
99.08102	7.9
105.06999	42.3
107.08591	84.0
109.10162	80.1
111.11720	9.2
118.57500	4.8
119.08583	55.0
121.06499	55.6
121.10134	66.9
123.11691	38.0
125.09608	30.5
127.11169	19.1
131.08578	12.6
133.10120	41.8
135.11690	47.0
137.09674	5.1
137.13278	8.4
138.09105	6.5
143.08571	8.7
145.10095	44.8
147.11707	49.2
149.13269	30.6
155.10632	5.2
157.10114	11.0
159.11710	40.8
161.13248	30.7
171.11703	8.0
173.13206	26.3
175.14859	9.5
177.16428	9.2
187.14767	10.2
189.16380	11.9
201.16455	21.6
203.17863	9.4
213.16354	19.8
215.17987	10.4
217.19502	18.4
218.64124	5.5
227.18011	9.8
355.29996	8.0
400.32037	26.9
423.36520	58.3
441.37622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64598	1.3
57.07096	6.6
58.06617	1.9
67.05530	1.6
69.07070	3.5
71.08611	1.6
72.04508	12.2
81.07082	1.6
85.10191	1.7
86.50129	1.6
93.07033	7.1
107.08602	2.8
119.91025	1.6
121.10143	6.5
123.47297	1.6
131.08691	1.7
134.82405	1.6
139.11133	2.0
149.13329	3.0
166.15984	3.7
184.13438	3.0
189.58336	1.7
212.16418	3.4
212.23738	30.6
230.24786	54.9
238.18048	6.8
240.23207	100.0
255.20702	2.3
256.19162	2.4
258.24310	6.2
268.26270	1.5
423.39395	66.6
424.38470	11.2
441.40881	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01135	1.0
58.87369	1.1
70.06595	2.4
72.08160	2.7
75.86684	1.0
116.72471	1.0
125.45829	1.1
139.93213	1.3
177.05547	2.2
225.07898	2.5
251.08125	1.8
253.07321	2.1
257.06815	4.4
279.07736	2.0
280.08505	7.1
284.09305	8.6
295.07242	1.6
298.07129	1.6
308.07724	1.6
309.08734	9.7
312.08725	18.0
312.12085	2.6
320.52734	1.5
321.08731	1.5
327.09695	20.9
328.08109	15.6
338.10287	2.4
339.09772	43.8
353.11118	13.5
366.10736	4.7
379.09241	21.7
383.08682	11.7
398.13416	6.5
398.26324	1.4
425.09714	17.7
427.12234	1.4
442.11526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48288	0.8
54.43812	0.6
59.24258	0.7
60.52804	0.7
70.06578	1.7
84.46130	0.8
99.04433	0.9
107.04948	2.3
107.22935	0.9
125.04710	1.9
136.07544	2.2
148.07565	1.5
224.07039	1.1
225.07800	10.0
253.07310	2.0
257.06821	6.4
277.97101	1.0
284.09122	7.0
295.07120	1.7
296.05542	1.9
309.08572	1.2
311.10522	17.3
312.08588	11.2
321.08719	2.2
325.11835	6.6
327.09763	19.2
328.08142	11.5
337.11600	1.0
339.09741	35.7
351.09717	1.1
353.11249	4.5
353.15045	3.3
366.10822	3.6
379.09229	23.1
383.08673	5.9
398.13327	12.3
406.14978	1.5
424.10214	1.6
424.15942	1.1
425.09845	14.6
442.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55579	0.5
58.06589	3.8
82.59286	0.5
92.27293	0.6
101.70097	0.6
103.81113	0.6
131.29427	0.6
139.25537	0.7
146.49486	0.6
186.21640	0.7
292.09576	1.4
294.11475	0.7
319.08389	1.4
320.05432	1.5
320.09161	45.7
322.10641	0.8
334.10690	4.0
335.11029	1.0
336.08582	8.3
339.05615	1.5
341.10504	0.8
342.10901	4.3
343.11911	4.3
351.10825	1.1
364.07965	0.7
370.10474	2.5
371.11526	55.4
372.12103	3.6
385.08975	0.9
386.13818	1.1
398.10287	1.1
399.10928	7.6
400.11783	37.0
410.12030	3.7
414.13388	13.4
427.10693	6.6
442.12585	100.0
465.84436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50016	0.8
60.08171	31.0
62.57338	0.7
72.66843	0.8
78.73380	0.8
85.86414	0.9
86.00658	1.5
94.06544	1.0
99.04462	4.3
100.04797	1.1
100.07636	1.1
102.09158	6.5
103.06310	0.9
111.05553	6.1
113.01705	15.5
115.03279	1.4
118.08655	26.5
121.06520	3.5
122.71767	0.9
123.04433	3.4
133.02858	1.5
137.09529	1.0
141.01164	15.2
142.01932	7.3
143.02744	78.2
151.03929	1.3
152.04692	1.2
166.09784	6.5
166.35274	0.8
167.01752	0.9
168.05818	1.1
169.04501	0.9
187.53525	0.9
222.65599	0.9
231.07697	0.9
259.05319	1.4
277.06329	1.1
279.04291	1.3
280.11697	3.4
290.09531	7.9
293.05902	45.6
293.09250	1.5
339.06473	11.8
350.07971	3.5
364.09467	1.6
365.10400	24.2
380.12720	31.0
386.68457	0.9
398.13782	100.0
442.12527	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	35.2
72.80209	1.6
76.63383	1.2
85.02925	1.5
99.04449	10.2
100.04787	3.2
102.09199	5.6
111.05582	6.3
113.01717	16.5
115.03238	1.8
117.05478	2.0
118.08645	28.9
121.06487	3.3
123.04419	2.7
125.63595	1.4
133.02893	3.0
138.09100	1.5
141.01189	14.9
142.01950	7.0
143.02739	77.9
152.04616	1.9
164.07068	2.6
166.09760	7.2
168.05766	1.8
231.07623	2.0
279.32477	1.5
280.11740	11.5
283.17056	1.5
290.09711	2.8
293.05890	49.3
339.06479	9.9
350.08029	2.8
365.10422	27.2
380.12677	36.8
398.13815	100.0
442.12329	18.8
442.17361	5.6
451.40494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74628	0.8
94.12397	0.9
139.96458	1.0
149.05968	1.2
151.40047	0.9
165.05412	1.0
170.05919	1.8
176.65869	1.0
185.25471	0.9
210.47520	0.9
264.17294	0.8
278.07977	1.2
289.52100	0.9
292.09567	1.8
307.08209	3.5
308.08951	5.3
318.07245	1.3
319.08197	1.4
320.09155	47.7
321.09616	1.3
322.10532	3.6
325.09152	4.6
334.10532	4.8
335.11343	1.5
336.11832	1.1
342.10849	5.8
343.11755	3.8
353.08707	4.8
357.09952	1.0
370.10544	1.3
371.11465	52.6
372.12085	2.1
374.11322	1.3
396.12091	1.3
399.10995	8.3
400.11792	37.1
412.11728	1.0
414.13287	13.1
426.13763	5.2
442.12326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92295	0.5
63.35645	0.5
69.83717	0.6
79.88028	0.5
82.65918	0.5
121.56462	0.6
176.07053	19.3
221.04572	1.1
260.13199	0.6
269.93417	0.7
278.07983	0.7
306.07553	2.9
307.08212	0.8
320.09116	0.8
334.07071	3.3
334.10742	1.2
361.09793	0.7
378.09540	0.7
398.10449	0.9
399.10941	2.8
406.09164	0.9
424.10300	1.0
427.05835	1.4
427.10489	67.1
442.12839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16940	0.6
78.20505	0.6
84.36853	0.6
100.56189	0.7
144.07858	0.7
149.85587	0.7
162.96626	0.8
184.71698	0.8
192.06461	1.1
258.09805	0.8
292.09381	1.2
308.37964	0.7
318.07379	1.5
320.09174	83.4
320.12695	2.7
334.10248	1.6
341.10269	1.2
342.10858	4.1
343.11716	4.7
370.10498	1.4
371.11508	43.1
372.11823	3.1
398.09680	1.1
399.11172	7.6
400.11761	31.4
412.12112	1.0
414.13373	10.7
427.10403	1.5
442.12311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49421	0.4
144.01469	0.4
158.67313	0.4
161.43442	0.5
205.80829	0.4
262.08823	0.6
277.07153	0.5
280.13220	1.0
290.08078	1.9
292.09683	8.0
306.07541	2.2
307.08411	8.2
308.09103	0.6
314.43109	0.4
318.07565	2.0
319.08154	0.9
320.09155	44.6
321.09714	0.9
334.07071	1.9
334.10709	3.1
365.14365	0.7
399.10928	2.0
427.10486	46.8
442.12781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49421	0.4
144.01469	0.4
158.67313	0.4
161.43442	0.5
205.80829	0.4
262.08823	0.6
277.07153	0.5
280.13220	1.0
290.08078	1.9
292.09683	8.0
306.07541	2.2
307.08411	8.2
308.09103	0.6
314.43109	0.4
318.07565	2.0
319.08154	0.9
320.09155	44.6
321.09714	0.9
334.07071	1.9
334.10709	3.1
365.14365	0.7
399.10928	2.0
427.10486	46.8
442.12781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	0.8
66.16300	0.6
84.75734	0.7
96.36298	0.8
98.83366	0.6
146.38081	0.6
153.49158	0.9
186.11215	0.8
236.32846	0.9
278.08246	1.0
306.07132	0.9
319.08459	1.2
320.09091	14.8
334.10675	1.3
380.12943	3.1
398.13638	7.7
408.12134	2.8
410.14105	0.8
412.11978	1.0
414.17075	5.8
426.13391	20.1
427.14038	3.5
442.16537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09435	0.3
53.04559	0.3
58.06607	3.0
64.03564	0.4
92.21512	0.9
106.47160	0.4
125.04167	0.5
175.43707	0.5
319.08459	2.6
320.09207	0.5
330.39246	0.5
334.10718	4.8
336.08566	4.1
351.10815	0.7
360.99515	0.4
397.13141	2.0
398.13992	6.2
410.12454	2.5
412.11957	1.0
424.15567	0.5
426.13385	34.8
427.14120	5.7
442.16519	100.0
442.26379	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51730	0.2
53.93909	0.2
54.79723	0.2
58.02957	0.2
60.54368	0.2
67.67897	0.2
100.41322	0.2
116.24979	0.2
127.99909	0.2
138.16953	0.2
158.68672	0.2
292.09610	3.2
318.07730	0.5
320.09174	100.0
405.35431	0.2
442.16138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48155	0.4
51.89386	0.4
54.53417	0.5
56.76719	0.5
58.01526	0.4
58.06558	0.5
59.05000	2.1
69.09940	0.5
72.16978	0.5
73.56653	0.5
116.10168	0.5
121.06524	0.6
237.12994	0.6
302.08041	2.2
316.09592	1.2
320.09241	9.8
322.10675	0.8
334.10666	1.2
368.12723	2.4
370.14624	1.1
381.13541	2.8
384.12277	12.5
398.13824	13.8
399.14902	0.6
408.12161	3.9
409.13202	6.9
410.14163	1.1
412.11795	21.2
414.17117	0.8
426.13354	14.3
427.14264	7.5
442.16547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	6.1
60.16351	0.5
60.60912	0.4
67.05527	0.4
67.09549	0.4
70.14592	0.5
78.69797	0.4
81.07066	2.2
84.08156	3.0
85.24015	0.4
140.97728	0.4
153.25638	0.4
232.82397	0.5
278.08173	1.1
303.33081	0.5
306.07532	1.0
306.15524	0.5
307.08429	8.1
309.11441	0.6
318.07776	0.8
319.08484	3.0
320.09424	1.9
321.09705	0.7
333.14844	0.7
334.10764	6.2
336.08701	3.7
365.17941	0.7
388.08328	0.6
396.12662	0.7
397.12970	0.9
398.13968	7.0
410.12170	0.9
412.11615	1.1
414.17316	0.8
426.13364	35.2
427.14215	5.0
442.16589	100.0
442.26260	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54493	0.4
58.06600	3.6
79.85580	0.5
81.07067	0.5
88.61346	0.5
128.21259	0.5
294.96365	0.5
307.08322	4.0
311.78302	0.5
319.08450	2.0
320.09216	1.9
321.09747	0.6
333.14938	0.6
334.10706	5.7
336.08728	3.5
336.12442	0.7
392.07935	0.6
397.13187	0.6
398.13943	7.5
410.12668	0.9
412.11777	0.9
414.17334	0.7
424.15271	0.7
426.13437	35.5
426.19180	1.1
427.14523	5.4
442.16595	100.0
442.26306	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84760	0.7
68.62885	0.7
68.89301	0.6
71.03361	0.6
76.22757	0.7
82.34144	0.7
86.09672	0.8
89.48328	0.7
144.04507	0.8
198.69742	0.7
287.73798	0.8
294.11035	0.9
302.08069	8.3
306.07620	1.4
316.09683	4.5
318.07465	0.8
320.09164	25.6
322.10745	3.0
384.12216	1.3
394.11047	1.3
398.13898	2.8
408.12277	12.0
409.13010	15.8
410.14233	1.4
412.11777	32.8
426.13345	16.7
427.14188	7.6
442.16525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	4.8
75.51762	0.5
82.89973	0.5
86.47217	0.5
97.77997	0.5
99.04474	2.7
100.04797	1.2
111.85460	0.5
189.36842	0.5
206.19188	0.5
292.10138	0.6
304.06137	0.5
307.08575	2.8
318.07599	0.6
319.08554	2.4
320.09167	2.3
334.10773	5.4
336.08691	7.8
336.12317	0.9
359.56393	0.6
397.13025	2.5
398.13757	7.7
410.12372	2.5
414.16830	0.8
426.13336	34.2
427.14215	6.1
442.16531	100.0
442.26297	4.5
448.14191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56932	0.3
52.42139	0.4
55.63248	0.4
58.45688	0.4
70.17141	0.4
76.35747	0.4
82.24169	0.5
82.93713	0.5
114.44768	0.4
195.68652	0.6
233.69640	0.5
290.07983	0.6
292.09613	3.4
313.76511	0.5
320.09167	100.0
442.16205	2.3
462.09686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24348	0.1
58.06491	0.2
58.06725	0.2
60.88744	0.1
158.49319	0.2
185.50850	0.2
206.17317	0.2
290.07962	0.2
292.09619	0.2
293.27597	0.2
302.07883	0.3
304.05939	0.3
304.09271	0.2
307.08130	1.0
318.07574	0.7
319.08356	2.5
320.09094	1.6
334.10663	4.9
348.11703	0.2
369.13403	0.3
370.14346	0.3
380.12708	0.3
381.13431	0.7
384.12238	0.4
396.12152	0.2
397.13049	1.5
398.08746	0.3
398.13831	7.6
408.12192	0.4
409.13428	0.2
410.13638	0.3
412.11371	1.7
413.12787	0.2
414.17236	1.2
424.15311	0.8
426.13312	38.9
427.14148	5.4
442.16486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43995	0.3
55.56663	0.3
63.48974	0.3
70.59458	0.3
90.72980	0.3
90.86804	0.5
107.06642	0.3
133.28825	0.4
149.03081	0.4
156.10396	0.4
166.92902	0.4
173.73827	0.3
176.89987	0.3
222.83049	0.4
278.08243	1.3
306.07684	2.7
307.08331	6.2
319.08450	0.5
320.09055	0.6
332.08954	0.4
334.10803	2.4
339.05563	0.6
397.13293	1.4
398.13852	8.5
408.12100	0.4
410.13763	0.4
412.11810	0.8
414.17142	1.9
424.15042	0.5
426.13339	33.7
427.14139	6.3
442.16602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06625	0.7
65.28728	0.6
78.92211	0.5
79.76923	0.5
86.63650	0.5
98.83355	0.6
104.75513	0.6
125.66694	0.5
129.38220	0.6
294.11240	1.1
302.08176	2.6
316.09732	0.9
320.09116	10.9
322.10718	3.2
323.11606	0.7
368.12820	1.1
370.14417	1.2
381.13635	2.3
384.12241	10.2
397.13153	0.7
398.13870	14.2
399.14642	0.9
408.12326	6.9
409.13022	8.5
410.14291	1.4
412.11755	24.0
414.16888	1.4
426.13422	17.5
427.14255	6.9
442.16528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62030	0.3
59.05003	0.6
60.72817	0.4
63.10936	0.4
66.84654	0.5
77.77522	0.4
107.04966	0.4
111.59931	0.4
135.05237	0.4
163.37611	0.4
172.42612	0.4
190.13980	0.4
277.07153	0.6
302.08054	9.1
303.08755	0.6
305.06793	1.0
306.07574	1.7
315.09198	0.5
316.09631	5.0
318.07611	0.8
319.08243	0.6
320.09140	24.0
320.12753	0.9
322.10757	0.6
334.10669	0.6
380.12631	0.8
384.12360	1.0
394.10892	3.1
398.13919	2.4
408.12289	15.2
409.13058	21.3
410.14163	0.7
412.11771	36.8
426.13367	12.6
427.14264	8.1
442.16501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54493	0.4
58.06600	3.6
79.85580	0.5
81.07067	0.5
88.61346	0.5
128.21259	0.5
294.96365	0.5
307.08322	4.0
311.78302	0.5
319.08450	2.0
320.09216	1.9
321.09747	0.6
333.14938	0.6
334.10706	5.7
336.08728	3.5
336.12442	0.7
392.07935	0.6
397.13187	0.6
398.13943	7.5
410.12668	0.9
412.11777	0.9
414.17334	0.7
424.15271	0.7
426.13437	35.5
426.19180	1.1
427.14523	5.4
442.16595	100.0
442.26306	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38503	0.7
53.03945	4.8
59.21366	0.9
59.27412	0.8
69.03415	6.9
71.04994	2.1
73.02905	1.5
74.01887	0.9
81.03426	16.4
81.19598	1.1
85.02908	11.6
91.05470	1.2
95.04956	1.1
96.04493	1.4
97.02883	6.1
99.04454	100.0
107.04953	2.1
109.02863	4.7
117.05524	1.7
119.04920	8.9
120.04461	4.5
121.06518	1.3
123.04411	15.3
125.04741	1.2
127.03950	8.3
136.07573	42.8
144.06511	1.2
145.04973	2.2
146.06023	1.3
147.04391	10.9
148.07584	7.6
162.05478	4.6
164.07048	6.1
165.05461	46.3
166.04948	2.0
176.54025	1.2
178.08647	4.8
182.08116	55.4
196.06030	2.0
200.07001	1.6
224.09160	5.1
244.09557	1.3
246.00346	1.1
272.09073	1.7
277.23694	1.0
296.05582	4.5
326.12286	1.2
353.14886	2.4
358.14014	2.0
378.15247	1.2
388.14407	1.6
395.35031	1.4
396.16345	4.5
406.15201	4.3
424.16071	18.1
442.11679	2.2
442.17078	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01883	40.9
68.74840	0.6
69.03436	5.0
71.04971	0.7
73.02926	1.6
81.03428	8.4
82.67670	0.8
85.02905	7.2
91.03928	1.1
97.02895	7.5
98.06071	1.0
99.03812	1.4
99.04458	36.6
107.62561	0.6
109.02884	23.2
119.04959	2.9
126.21179	0.7
127.03944	12.4
132.89249	0.9
145.02875	7.0
145.04970	0.9
147.04413	100.0
163.05962	1.0
165.05475	14.4
173.05963	2.6
177.05463	16.3
181.04984	1.1
191.07039	12.3
194.08226	1.2
199.06038	10.6
217.07065	4.9
223.40715	0.8
245.08076	19.5
248.11203	1.1
263.09192	9.6
305.09988	0.7
309.09634	1.7
371.11258	5.1
380.15015	1.3
389.12152	9.1
406.14941	4.5
407.13370	36.4
424.15878	4.1
442.15903	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01881	40.1
57.03445	1.1
69.03430	2.3
70.06596	1.6
73.02936	1.7
76.98626	1.0
78.78205	0.9
81.03419	9.1
84.04501	1.8
85.02907	5.3
86.06068	2.0
87.04458	6.2
91.05454	1.0
97.02892	9.9
98.06070	5.8
99.04453	34.3
106.06592	1.1
109.02877	18.9
110.06100	1.2
116.07130	1.4
117.03382	5.9
119.04962	1.9
124.07626	1.5
125.04784	2.0
126.05482	1.8
127.03892	10.7
134.06030	5.2
140.07068	1.5
145.02853	46.2
147.04410	82.7
148.07518	2.3
164.07185	1.2
165.05479	10.1
166.08627	2.6
173.06058	1.1
174.63626	1.2
176.07072	16.4
177.05466	100.0
181.50905	1.0
191.07042	11.5
194.08104	13.6
199.06010	7.8
212.09128	9.2
217.06993	3.8
230.10207	4.9
245.08076	19.4
248.11301	4.4
263.09082	8.9
309.09616	2.2
326.06879	1.3
389.12357	10.7
406.14886	26.3
406.19720	1.7
407.13351	27.9
424.16037	20.4
442.11505	1.9
442.17142	27.3
464.16235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
60.58652	1.5
69.03439	3.5
71.04996	2.7
81.03439	11.0
84.04494	2.9
85.02908	8.2
87.03185	1.9
96.04486	2.6
97.02917	3.2
99.04449	48.6
107.04967	25.7
108.04505	3.5
110.26405	1.6
116.33836	1.6
118.76278	1.7
119.04949	10.4
120.04454	3.8
120.08141	2.0
121.06472	3.6
123.04427	27.2
125.04739	2.8
126.05495	2.3
127.03922	7.4
135.06819	4.2
136.07578	38.5
138.05519	4.1
144.06586	3.0
145.05104	1.8
145.07565	2.5
146.06027	3.6
146.07944	3.1
147.04395	22.4
148.07594	48.7
148.67613	1.7
160.07588	6.5
161.06793	2.5
165.05473	39.8
166.05017	3.2
178.08612	8.7
182.08096	22.0
194.08153	8.4
210.64510	2.0
218.07964	1.9
226.08696	2.3
244.09647	2.6
262.10703	11.6
272.09280	2.3
280.11804	24.4
290.10248	3.6
308.11252	10.5
326.12354	15.4
358.13727	2.0
378.15564	4.1
396.16486	2.3
406.15338	2.6
424.16040	100.0
442.16974	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89145	2.8
51.00187	2.5
65.68931	2.7
69.03387	3.7
74.36704	3.0
79.83222	2.8
81.03427	7.5
85.02875	12.9
89.88377	3.2
97.01324	2.9
97.02877	13.6
99.04455	30.2
107.04951	69.4
109.02916	4.1
115.04110	3.1
119.04907	6.5
120.04463	29.5
121.06453	7.5
123.04430	22.8
124.03979	3.6
125.04722	51.6
126.05542	5.9
127.03943	6.9
136.07605	36.0
138.05470	7.1
142.53618	3.1
143.05849	5.1
146.05994	6.0
147.04430	19.4
148.03941	6.7
148.07582	22.8
156.06531	3.5
160.07553	3.8
161.06036	3.9
164.07127	3.5
165.05476	34.2
166.04950	26.0
178.08577	15.4
182.08221	3.9
184.06038	12.4
192.06564	4.8
194.08102	5.9
198.75935	3.0
226.08614	4.7
244.09624	14.3
262.10751	6.4
272.09201	4.9
274.52075	3.1
280.11716	15.9
290.10150	5.2
308.11224	4.3
326.12427	22.5
332.88086	4.1
373.15436	3.3
378.15305	3.7
406.14993	100.0
424.15939	59.3
442.10995	16.3
442.17136	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2586
Annotation	CHEBI:70179
Peak:m/z	Relative Intensity
50.39863	0.5
54.72682	0.5
55.05511	1.3
67.05503	0.9
69.07068	0.6
79.05499	1.5
81.07049	2.4
91.05477	4.3
93.07042	9.3
93.64531	0.6
95.04964	3.0
95.08577	1.3
97.10181	1.2
99.04453	1.3
103.05476	2.8
105.07037	1.3
107.04948	6.8
107.08589	1.0
118.06586	0.5
119.08567	1.1
121.06498	100.0
123.11709	0.7
131.08542	0.9
134.05934	0.6
134.09636	2.9
146.09641	1.0
150.09142	0.7
158.09628	2.7
160.07513	4.2
174.09106	8.7
186.09106	0.7
209.55475	0.7
218.15417	1.1
223.05978	7.1
230.18999	3.3
246.14883	1.1
258.18506	3.0
265.91788	0.6
272.20047	0.9
273.18457	0.7
280.13309	2.8
286.17953	1.0
291.19412	0.8
304.18890	0.7
320.09277	0.7
349.33063	0.6
350.24634	1.2
366.20645	3.1
378.24158	7.7
406.23727	30.3
424.24762	13.2
442.25833	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39863	0.5
54.72682	0.5
55.05511	1.3
67.05503	0.9
69.07068	0.6
79.05499	1.5
81.07049	2.4
91.05477	4.3
93.07042	9.3
93.64531	0.6
95.04964	3.0
95.08577	1.3
97.10181	1.2
99.04453	1.3
103.05476	2.8
105.07037	1.3
107.04948	6.8
107.08589	1.0
118.06586	0.5
119.08567	1.1
121.06498	100.0
123.11709	0.7
131.08542	0.9
134.05934	0.6
134.09636	2.9
146.09641	1.0
150.09142	0.7
158.09628	2.7
160.07513	4.2
174.09106	8.7
186.09106	0.7
209.55475	0.7
218.15417	1.1
223.05978	7.1
230.18999	3.3
246.14883	1.1
258.18506	3.0
265.91788	0.6
272.20047	0.9
273.18457	0.7
280.13309	2.8
286.17953	1.0
291.19412	0.8
304.18890	0.7
320.09277	0.7
349.33063	0.6
350.24634	1.2
366.20645	3.1
378.24158	7.7
406.23727	30.3
424.24762	13.2
442.25833	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96470	2.3
57.03431	18.8
57.07073	2.4
59.73999	2.1
61.02933	3.6
66.13090	2.7
69.03439	45.6
73.02579	2.4
73.02919	25.3
85.02913	100.0
87.04455	34.3
97.02889	60.3
99.04458	3.8
109.02876	3.5
114.99806	2.7
115.03948	55.6
127.03945	19.2
133.04999	45.9
145.04936	43.4
150.07697	4.7
163.06029	18.1
259.08212	3.3
270.48553	2.8
293.09293	4.5
293.19623	5.9
294.09534	10.6
295.10245	12.9
296.70795	3.0
322.10706	5.9
353.56766	3.5
398.15759	6.2
420.01208	3.2
420.14151	2.8
442.14883	32.9
442.28754	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96470	2.3
57.03431	18.8
57.07073	2.4
59.73999	2.1
61.02933	3.6
66.13090	2.7
69.03439	45.6
73.02579	2.4
73.02919	25.3
85.02913	100.0
87.04455	34.3
97.02889	60.3
99.04458	3.8
109.02876	3.5
114.99806	2.7
115.03948	55.6
127.03945	19.2
133.04999	45.9
145.04936	43.4
150.07697	4.7
163.06029	18.1
259.08212	3.3
270.48553	2.8
293.09293	4.5
293.19623	5.9
294.09534	10.6
295.10245	12.9
296.70795	3.0
322.10706	5.9
353.56766	3.5
398.15759	6.2
420.01208	3.2
420.14151	2.8
442.14883	32.9
442.28754	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49359	2.4
55.02206	2.6
55.05508	13.4
67.05520	32.4
69.07068	14.5
74.24524	2.6
76.41312	2.5
79.05489	16.7
81.07062	31.4
83.08631	6.7
86.29868	2.5
89.69233	3.1
91.05473	17.8
92.21083	4.1
93.07046	35.5
95.04964	4.4
95.08608	21.8
97.06528	7.0
97.10159	6.2
103.05437	4.2
103.51071	2.7
105.07047	24.5
107.04953	4.7
107.08598	30.1
109.06538	5.5
109.10144	49.4
115.03936	36.4
117.02667	2.6
117.06994	3.7
119.08578	26.8
121.05638	4.2
121.06510	100.0
121.10115	19.3
125.09650	4.9
129.06938	4.2
131.08583	21.2
132.10179	3.0
133.10123	25.6
134.09607	3.1
135.11642	5.6
140.85960	2.7
141.70711	2.8
143.08571	5.2
145.10133	22.7
147.08063	4.7
147.11671	20.0
149.09641	6.4
153.53412	2.8
155.10687	24.0
157.10092	4.6
159.11671	12.1
161.13260	4.1
171.11664	5.5
173.09541	3.4
173.11787	70.4
173.13284	10.3
175.03839	3.4
175.11165	3.3
187.11200	3.9
187.14839	3.3
199.14914	5.0
216.78146	2.7
217.15878	4.2
223.05975	48.0
235.16988	5.1
239.17912	5.8
257.18948	18.5
275.20041	64.9
276.20108	3.3
286.18130	3.3
293.21112	6.2
313.21320	3.0
323.61810	3.0
331.18784	6.3
364.08035	6.6
371.22128	25.8
389.23254	62.5
406.24170	29.8
414.65225	3.1
424.25165	6.8
442.26538	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2952
Annotation	N-(alpha-Linolenoyl) Tyrosine
Peak:m/z	Relative Intensity
55.05521	1.3
55.87830	0.9
61.01497	0.9
67.05489	5.7
69.07062	1.6
72.05424	0.9
79.05490	2.6
81.07063	5.9
83.08631	1.6
84.04501	1.3
84.08185	1.0
91.05482	7.6
93.07032	6.4
93.50407	1.1
95.04977	1.3
95.08607	6.1
100.92857	1.1
105.07001	1.9
107.04960	1.6
107.08582	2.1
109.10172	2.2
110.78683	1.2
119.04933	12.4
119.08562	4.6
120.08126	1.5
121.06458	1.3
121.10145	4.9
123.04436	17.5
123.11674	1.4
126.05503	1.4
131.08588	1.6
133.10135	2.3
135.11716	1.9
135.13318	1.0
136.07581	100.0
144.06551	1.1
147.04417	10.2
149.13248	2.0
165.05464	62.9
169.47754	1.2
182.08131	70.7
243.21140	1.2
261.22186	5.7
348.29318	1.6
396.28992	6.8
405.93567	1.1
419.48193	1.1
424.30536	8.8
442.29575	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23920	1.3
54.40918	1.2
55.05518	3.5
55.34408	1.4
57.07077	3.3
67.05499	2.3
68.05013	2.9
69.07063	2.6
70.06591	12.1
71.05012	1.7
71.08271	1.4
80.05024	4.0
81.07040	10.2
83.08616	2.9
84.04506	34.7
85.02921	3.0
85.10182	2.1
87.43076	1.7
95.08598	10.2
98.06050	40.5
102.89030	1.5
103.03934	2.9
105.06983	2.0
109.10140	2.2
114.05494	3.0
119.08482	1.6
122.06045	2.0
124.07668	2.6
126.05504	10.8
140.07098	11.4
142.08623	13.2
144.06555	61.3
148.83269	1.6
158.08098	2.6
168.06523	8.4
170.08131	3.3
186.07588	14.4
188.09163	9.4
204.08675	3.7
210.29880	1.7
256.53583	1.9
293.05029	1.9
330.27960	2.1
344.22034	10.9
360.29041	2.9
406.29382	2.0
424.30475	9.6
442.25714	6.7
442.31552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49070	0.4
68.33260	0.5
72.08138	0.6
72.98354	0.5
81.03438	0.5
87.04483	0.9
99.04458	0.5
161.06009	0.9
178.08620	0.9
179.09073	0.5
270.71222	0.5
281.09174	4.0
296.66989	0.6
353.11465	0.6
443.15216	100.0
443.66025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1541
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
53.03950	4.3
55.01876	0.7
58.65968	0.5
61.02898	0.5
69.03432	3.5
70.06586	3.0
71.04991	1.0
71.81371	0.6
72.08189	0.8
72.45261	0.6
77.51707	0.7
81.03420	10.1
85.02908	7.3
86.09702	3.0
92.20926	1.0
97.02872	6.2
99.04455	100.0
109.02900	3.2
117.05466	6.9
127.03941	2.6
145.04962	2.6
163.03999	0.8
164.22949	0.7
165.05327	0.9
202.20325	0.7
223.62106	0.9
243.08662	1.0
261.09729	3.7
308.08981	0.7
312.06772	1.3
320.09171	2.8
323.11557	2.8
340.06296	1.1
341.07175	3.7
356.09402	9.7
372.61343	0.8
383.11725	0.7
443.12668	10.4
443.24326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11148	0.6
53.03936	0.8
57.03422	0.6
59.88344	0.6
61.44342	0.6
63.09034	0.7
66.90767	0.6
68.91289	0.7
69.03436	1.0
74.29170	0.6
81.04549	5.9
85.02901	3.0
85.49235	0.6
91.33679	0.7
97.02910	0.9
99.04459	5.4
101.06020	4.8
102.49562	0.7
119.44811	0.7
122.07155	100.0
123.07931	57.0
127.03902	0.8
128.53212	0.7
155.13596	0.8
160.04347	1.0
165.07738	4.1
183.06863	1.2
193.42058	0.8
281.10651	48.7
347.39410	0.7
443.15930	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04723	2.0
91.05526	2.3
92.21494	2.3
103.83575	2.4
105.07053	4.2
107.04940	3.1
115.05438	2.9
119.08581	3.6
123.04467	2.9
125.06005	3.5
133.06499	4.3
138.88644	2.1
144.08014	3.5
147.08025	2.1
151.07510	18.6
153.05463	14.3
159.07994	8.5
161.05975	13.9
165.09119	12.7
167.07034	84.7
175.07533	41.1
186.06673	3.2
187.07523	22.7
199.07556	11.5
219.08095	3.8
229.05688	3.1
235.07684	3.3
239.09145	15.0
245.15700	2.4
247.07457	4.5
248.08214	2.6
251.10681	3.2
263.06915	2.9
264.07764	3.0
275.07108	4.7
276.07898	4.0
277.08704	3.7
279.10159	11.0
291.10287	9.1
293.07678	3.1
307.09302	3.6
308.10406	3.5
309.11331	5.1
318.07803	2.6
319.09515	5.5
320.09439	5.3
321.09213	29.3
324.13510	4.3
339.12268	100.0
340.13071	10.6
351.12256	16.0
352.12985	5.7
373.92517	2.6
425.16180	8.8
428.10757	23.4
443.12830	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51486	1.2
52.46799	1.3
66.55354	1.4
71.05032	1.5
76.25878	1.4
77.69333	1.5
86.02239	1.5
90.34625	1.6
95.08640	2.2
103.33288	1.6
104.10728	1.8
131.04994	2.3
138.05193	1.5
155.04932	7.1
159.37149	1.7
166.06276	7.0
175.07585	2.9
177.05453	2.0
181.08583	40.6
181.10004	2.3
183.04408	1.9
184.07452	1.6
187.07552	6.7
190.06303	9.6
191.06958	2.8
205.08673	10.4
215.07002	21.5
231.08023	2.2
249.09093	2.5
259.07544	2.3
260.08466	2.1
261.09308	2.1
263.10593	2.0
276.07800	3.3
277.08691	6.9
279.10208	2.0
283.12198	2.7
287.07095	6.6
288.07953	2.1
289.08539	3.2
290.09247	3.0
291.10263	14.3
292.10883	3.0
293.08197	3.2
293.11679	3.7
301.08829	2.3
302.09344	2.5
303.06812	3.3
303.10092	26.8
305.08337	11.3
305.11487	2.2
306.09003	2.4
307.09634	10.2
308.10696	2.5
309.11261	10.1
311.55243	1.7
318.08853	3.7
319.09662	33.5
320.09976	2.0
321.11197	17.1
325.10876	1.9
333.11313	10.0
334.11984	41.8
335.09286	13.4
335.12680	2.3
337.10712	31.3
350.11444	9.3
352.13046	39.2
365.13840	100.0
383.14822	27.5
400.98422	1.8
443.22943	2.5
443.35300	1.9
467.07385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20892	0.5
50.83928	0.5
98.98457	0.6
286.06696	0.6
326.85522	0.6
328.97705	0.5
341.16357	0.8
386.16431	2.1
387.17169	0.8
415.20163	100.0
443.23300	93.0
443.38312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72236	0.4
63.83118	0.3
66.62882	0.3
68.04978	0.4
69.21526	0.3
70.06541	0.4
79.05449	0.4
81.07017	0.5
88.07558	1.9
97.30940	0.4
98.05984	0.5
99.04439	0.4
102.09168	2.5
107.08540	0.7
119.08562	0.4
125.09611	0.5
128.56940	0.4
142.12259	0.4
168.06523	1.9
169.06833	0.4
170.11751	0.5
171.08426	0.6
197.11728	0.5
214.14372	3.0
256.23697	0.6
256.26318	13.0
259.06900	0.4
260.70541	0.4
274.27383	0.5
341.16608	0.7
386.16064	2.5
400.17426	0.4
410.69070	0.4
415.20135	100.0
425.30859	4.5
443.23270	97.9
443.38254	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09580	0.5
62.82927	0.5
63.58955	0.4
69.07118	0.4
100.32551	0.5
137.03128	0.6
141.39606	0.6
143.54086	0.6
155.13109	0.5
201.45497	0.6
284.97556	0.6
299.87033	0.6
327.15244	0.7
341.16647	1.0
386.16220	2.6
415.14276	1.2
415.20120	95.4
443.23270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70323	0.4
65.16281	0.4
88.07558	2.1
88.08037	0.5
88.11964	0.4
94.29844	0.4
102.09113	1.0
145.50919	0.4
170.11684	0.4
214.14290	2.1
256.26312	10.6
261.56503	0.4
343.15317	0.5
386.16095	2.2
387.17612	0.5
415.20154	91.8
443.23294	100.0
443.38345	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53967	0.4
57.41011	0.4
62.61424	0.3
79.19098	0.4
81.04819	0.4
82.90424	0.4
129.84872	0.4
178.03224	0.4
178.14696	0.4
214.14287	0.5
256.26312	0.7
288.08847	0.5
320.88049	0.4
327.15009	0.9
329.23917	0.4
386.16342	2.8
415.20135	100.0
443.23279	98.0
443.38757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31791	0.3
53.00734	0.4
53.47635	0.3
56.77829	0.3
65.61113	0.3
67.05423	0.5
69.07005	0.4
70.06522	0.9
74.55556	0.3
88.07511	2.4
102.09043	2.4
107.08494	0.9
125.09509	1.6
135.08009	0.5
148.06149	0.4
155.15770	0.4
157.95778	0.5
170.11610	2.1
173.48209	0.4
197.11626	0.6
214.14362	3.8
256.23807	0.9
256.26331	19.8
274.27332	0.5
285.14944	0.5
341.16614	0.7
345.41873	0.4
370.43219	0.4
386.16336	3.2
415.20132	100.0
443.23279	96.1
443.38342	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20731	0.3
57.07056	0.4
58.05133	0.3
60.72623	0.4
60.85997	0.4
62.83078	0.4
70.06577	1.0
71.08614	0.5
73.90452	0.4
85.53896	0.4
88.07595	2.5
102.09152	2.5
107.08578	0.8
111.00468	0.4
119.08542	1.0
125.09583	0.5
133.10077	0.5
151.85869	0.4
170.11719	0.9
197.11713	0.6
214.14307	3.6
222.68401	0.5
256.26324	16.5
308.71942	0.5
327.14862	0.6
327.36066	0.5
341.16501	0.9
345.87164	0.5
386.16302	3.0
415.20157	98.3
443.23288	100.0
443.38306	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11004	0.6
60.05645	7.8
69.07062	4.2
70.06595	12.4
71.33298	0.6
86.09708	99.4
112.08725	3.8
113.07092	0.9
115.08694	4.9
116.07101	10.2
128.09834	1.2
128.10722	23.2
128.11707	1.3
130.09732	3.6
133.09781	1.4
156.10168	1.9
156.11305	14.2
158.09261	9.3
175.11897	26.2
177.61819	0.8
271.17603	5.0
338.90027	0.8
443.29770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11004	0.6
60.05645	7.8
69.07062	4.2
70.06595	12.4
71.33298	0.6
86.09708	99.4
112.08725	3.8
113.07092	0.9
115.08694	4.9
116.07101	10.2
128.09834	1.2
128.10722	23.2
128.11707	1.3
130.09732	3.6
133.09781	1.4
156.10168	1.9
156.11305	14.2
158.09261	9.3
175.11897	26.2
177.61819	0.8
271.17603	5.0
338.90027	0.8
443.29770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
50.59088	2.3
55.05516	3.8
57.07079	6.4
58.37474	2.7
67.23972	2.6
67.51954	3.2
69.07068	15.7
71.08643	6.5
75.61301	2.4
80.77745	2.5
80.82167	2.9
81.07063	6.8
83.08633	6.6
85.10181	4.3
91.04601	2.8
92.21563	3.7
94.13463	3.0
95.08584	15.9
97.10156	4.8
105.07013	4.9
106.00719	2.8
107.08617	14.8
109.10176	11.1
119.08573	5.2
121.10200	4.6
133.10132	4.8
180.40752	2.9
183.11652	4.8
197.13297	3.2
200.82121	2.8
205.49176	2.9
211.14868	5.5
229.15923	4.0
239.17970	13.4
257.18985	6.3
261.18567	4.0
275.16437	4.1
287.20135	4.8
301.63284	3.1
301.66684	3.4
317.24835	11.2
425.33878	15.5
443.22000	14.4
443.35181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.07073	3.5
58.06590	0.7
61.11917	0.4
62.31224	0.4
67.05488	1.0
69.07068	0.6
69.81731	0.6
70.06603	6.0
71.08620	2.1
72.08152	0.6
73.02918	0.5
79.05492	0.8
81.07047	1.1
83.08612	1.2
85.10159	0.6
88.07133	0.8
88.07635	20.3
93.07041	1.0
97.10152	3.6
98.98473	5.4
99.04440	1.0
100.38151	0.5
102.09187	13.6
105.06999	0.7
107.08594	5.5
109.10151	0.9
112.08273	0.5
124.11205	2.0
125.09604	5.5
133.24463	0.5
135.08054	2.4
142.12219	3.1
152.10735	1.0
153.09099	3.0
155.01033	7.2
170.11760	6.9
173.11703	0.5
173.13235	0.7
183.04199	5.8
197.11748	5.3
212.23695	3.5
214.14389	26.8
215.12724	0.8
256.26340	100.0
261.22144	0.7
274.27426	3.4
425.37494	1.0
443.38431	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.2
57.30141	1.0
62.35587	1.0
67.05519	1.8
68.70734	1.0
70.06589	7.0
71.08629	1.4
75.99683	1.0
79.05493	2.0
81.07047	1.7
83.08628	1.7
88.07627	16.0
97.10157	2.0
97.49522	0.9
98.06034	1.5
98.28085	1.1
99.04425	1.6
102.09183	14.2
107.08591	5.2
109.10110	1.1
124.11206	1.4
125.09615	6.7
135.08032	6.5
142.12254	1.7
152.10687	1.2
153.09081	2.2
170.11731	5.5
197.11705	4.1
212.23727	4.0
214.14345	28.7
256.26324	100.0
274.27332	3.9
425.30774	2.5
443.31830	9.5
443.38312	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59988	0.5
53.40086	0.5
53.69686	0.5
57.07077	4.3
66.47688	0.7
67.05500	3.2
69.07072	1.4
70.06601	6.6
71.08641	1.0
73.73125	0.6
79.05499	1.3
81.07088	2.4
83.08643	1.6
88.07642	18.8
88.26672	0.6
93.07047	2.8
95.08601	0.9
97.10174	5.4
98.98506	1.0
99.04486	1.5
102.09194	15.9
105.07061	1.0
107.08588	6.3
109.10193	2.4
124.11256	3.2
125.09647	6.7
127.08691	0.8
135.08049	1.1
142.12251	1.4
145.10095	0.6
152.10635	0.6
153.09103	1.3
155.01053	0.9
161.09714	0.7
170.11812	7.5
170.37994	0.6
197.11705	4.6
212.23830	1.6
214.12292	0.9
214.14375	28.5
254.24800	0.8
256.26346	100.0
274.27420	4.8
425.30817	0.8
425.37607	0.8
443.38483	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.2
57.30141	1.0
62.35587	1.0
67.05519	1.8
68.70734	1.0
70.06589	7.0
71.08629	1.4
75.99683	1.0
79.05493	2.0
81.07047	1.7
83.08628	1.7
88.07627	16.0
97.10157	2.0
97.49522	0.9
98.06034	1.5
98.28085	1.1
99.04425	1.6
102.09183	14.2
107.08591	5.2
109.10110	1.1
124.11206	1.4
125.09615	6.7
135.08032	6.5
142.12254	1.7
152.10687	1.2
153.09081	2.2
170.11731	5.5
197.11705	4.1
212.23727	4.0
214.14345	28.7
256.26324	100.0
274.27332	3.9
425.30774	2.5
443.31830	9.5
443.38312	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.00307	4.0
53.34265	3.4
55.05519	6.6
55.39180	3.5
57.07080	4.1
57.71100	3.9
67.05515	27.7
68.43333	3.6
69.07078	39.3
69.60010	3.8
71.05005	10.5
79.05500	16.3
81.07066	100.0
83.08616	20.6
85.06539	4.9
91.05487	7.5
93.07056	34.6
95.08609	87.7
97.10172	17.4
98.72886	4.6
103.24637	4.1
105.07024	28.8
107.08601	72.5
109.10161	95.9
119.08576	33.5
121.10148	52.8
123.11717	47.8
125.09592	6.2
126.67918	4.0
127.11202	24.2
130.76337	4.3
131.08598	4.8
133.10115	23.3
135.11653	49.7
137.13239	24.7
140.39067	5.2
143.10674	20.1
145.10138	6.7
145.46828	4.2
147.11707	28.7
149.13248	49.6
153.12770	5.4
153.57692	4.8
159.11604	30.7
161.13232	41.9
163.14799	27.9
166.62820	4.3
173.13277	21.7
175.14812	23.5
177.16443	19.0
187.14848	19.8
189.16339	8.2
191.17957	8.2
201.16309	8.9
203.17978	8.1
205.19589	5.2
215.17989	10.1
217.19519	16.7
229.19543	6.9
260.67114	5.2
271.24228	4.9
283.24234	4.4
285.25943	5.4
301.25299	6.7
344.40491	5.1
351.50723	5.2
382.67374	4.7
425.37845	80.9
443.39163	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07578	0.8
53.11615	0.7
55.05515	1.9
57.07096	1.6
59.29186	0.8
63.20805	0.8
67.05502	2.1
67.29131	0.8
69.07084	8.2
77.10380	0.9
79.05502	2.4
81.07072	13.1
83.08620	6.2
90.96384	0.9
93.07050	10.6
95.08614	13.5
97.06535	1.3
97.10182	2.4
105.07065	3.9
107.08585	8.5
109.10173	12.6
119.08571	5.4
121.06510	100.0
121.10125	8.7
123.11708	4.9
131.08618	1.2
133.10114	4.9
135.11707	7.8
137.13301	1.5
138.09157	11.5
145.10063	1.3
147.11696	4.6
149.13272	6.4
152.23981	1.0
159.11674	2.6
161.13243	6.5
173.13301	2.1
175.14787	5.4
177.16356	1.3
189.16383	1.5
203.17943	4.7
215.18044	1.5
217.19531	2.3
231.21043	1.9
331.87277	1.3
402.33664	45.3
425.37982	12.7
443.39481	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05521	10.5
55.81458	2.5
57.07066	3.9
61.81345	3.4
67.05508	26.3
69.07076	53.7
70.47681	2.4
71.04987	19.9
79.05501	23.3
81.07069	84.6
83.08624	16.1
91.05473	5.8
93.07043	39.9
95.08610	97.4
96.39291	2.5
97.10175	13.1
99.08080	6.1
105.07052	25.1
107.08602	62.0
109.10163	100.0
111.11748	5.4
119.08578	35.3
121.10138	48.2
123.11697	35.2
125.09631	4.7
127.11197	27.9
127.52288	3.1
131.08565	6.2
133.10120	33.7
135.11700	68.4
137.13278	18.7
145.10167	13.3
147.11708	39.2
149.13251	41.0
149.81914	2.8
153.12720	10.6
159.11685	21.5
161.13240	28.6
163.14835	4.5
167.23337	2.7
173.13251	6.2
175.14877	20.9
177.16371	10.9
187.14841	5.5
189.16403	15.3
191.18001	5.0
195.17377	3.0
201.16444	12.2
203.17989	25.6
207.17497	4.7
215.17926	10.7
217.19504	18.7
227.18265	3.1
229.19469	6.1
257.22635	3.7
298.95135	3.1
310.91278	2.7
339.30399	2.9
357.31653	13.0
425.37860	64.7
443.33392	4.7
443.38934	53.9
462.13010	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05518	9.1
62.12147	5.8
65.97340	6.1
67.05499	10.6
69.07071	52.9
71.05002	8.4
81.06664	8.5
81.07074	100.0
93.07055	30.0
95.08614	97.3
97.10146	7.4
107.08591	48.6
109.10184	65.2
119.08574	15.4
121.10159	43.1
123.11710	16.9
127.11247	10.9
133.10130	13.6
135.11696	36.2
137.13191	9.7
144.07806	7.7
145.10150	15.3
147.11700	32.1
149.13277	30.6
153.12738	6.7
159.11598	12.3
161.13264	13.0
173.13309	9.8
173.58060	6.1
187.14813	12.1
190.59566	6.5
209.88872	6.8
287.82373	6.7
315.10580	7.4
331.51590	6.6
339.30649	8.4
368.02237	9.3
407.36679	12.0
425.37784	54.2
443.39163	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65609	0.8
64.72990	0.9
74.44247	0.9
97.24386	0.8
134.10643	0.9
201.22375	1.0
294.07642	1.9
297.84772	0.9
344.09271	6.6
344.31604	1.1
345.10138	5.5
372.08499	3.9
373.09464	58.5
374.10178	3.5
401.08917	5.4
402.09732	32.7
402.77505	1.1
416.11334	13.4
429.08514	1.5
444.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53873	1.1
80.96796	1.1
145.22202	1.3
152.07605	1.3
165.09087	1.3
167.07014	8.0
168.07431	6.9
175.07523	1.9
176.07944	1.3
187.07486	1.2
187.45740	1.3
200.16483	1.2
239.09146	1.4
320.09131	6.9
321.09448	1.4
322.10944	5.5
334.10687	2.3
336.12292	5.9
340.12613	12.5
342.07593	12.1
343.08521	11.5
352.12823	1.2
356.05685	8.5
357.06250	14.9
358.07050	2.2
366.07437	5.1
367.08429	9.3
368.09012	5.6
370.07083	100.0
371.07925	13.9
372.08606	34.1
384.08643	20.7
385.09357	15.8
386.13602	2.2
400.11548	78.5
411.14392	1.9
412.15430	2.6
414.13278	21.7
428.15308	21.6
429.15842	18.1
444.10736	58.6
444.17953	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98851	1.2
55.39476	1.1
82.83979	1.1
92.20997	1.9
94.86551	1.4
105.30258	1.4
112.52747	1.1
118.69491	1.1
156.60335	1.2
160.74532	1.7
170.04349	1.2
205.45735	1.3
297.83923	1.3
370.10782	2.0
373.09628	4.8
383.11700	2.0
386.10251	22.4
400.12067	16.7
414.09595	14.7
416.15320	2.1
428.11240	13.1
444.14594	100.0
444.24057	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05574	0.4
60.18920	0.4
65.92638	0.4
69.64484	0.4
71.87903	0.4
77.80180	0.4
85.72353	0.4
119.82885	0.4
164.20256	0.5
248.10423	0.5
275.09457	4.9
276.10110	7.3
277.37180	0.4
304.09674	41.0
306.07840	0.5
307.08289	6.1
308.08759	0.5
320.09131	8.6
323.07755	0.6
336.12256	1.7
338.10321	4.8
366.09711	7.1
398.10211	1.0
400.11496	0.8
401.12531	1.1
418.02686	0.6
428.10611	5.0
429.11966	31.9
444.14319	100.0
458.07397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97911	0.8
63.60551	0.7
72.46324	0.7
74.72574	0.9
77.95821	0.8
105.05519	1.2
201.10628	1.0
304.05762	1.0
315.08853	1.2
319.08157	1.8
320.09067	1.4
321.09641	1.3
328.09668	1.6
329.10345	1.2
330.11267	7.4
334.10718	5.7
342.11108	1.3
343.08524	1.1
354.11346	1.3
355.08246	1.8
355.12097	1.4
356.09143	15.1
358.10712	69.7
359.11456	1.1
370.10748	5.6
372.08374	2.1
372.12289	1.7
372.16211	1.5
373.13123	12.1
374.13766	1.1
382.10794	3.1
383.11288	4.6
383.15588	1.4
384.12164	1.5
386.09891	38.4
386.14050	8.8
387.10995	3.7
396.12085	1.4
400.11533	5.8
400.16064	11.0
401.12140	1.9
402.13324	12.5
410.13284	1.0
414.09320	0.8
414.13486	12.0
416.14267	1.7
416.91287	1.0
428.15012	11.8
429.15656	3.6
444.13458	100.0
444.18912	25.6
457.17529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05574	0.4
60.18920	0.4
65.92638	0.4
69.64484	0.4
71.87903	0.4
77.80180	0.4
85.72353	0.4
119.82885	0.4
164.20256	0.5
248.10423	0.5
275.09457	4.9
276.10110	7.3
277.37180	0.4
304.09674	41.0
306.07840	0.5
307.08289	6.1
308.08759	0.5
320.09131	8.6
323.07755	0.6
336.12256	1.7
338.10321	4.8
366.09711	7.1
398.10211	1.0
400.11496	0.8
401.12531	1.1
418.02686	0.6
428.10611	5.0
429.11966	31.9
444.14319	100.0
458.07397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34092	0.4
112.38483	0.4
167.07123	0.5
248.10687	0.6
275.09387	5.9
276.10217	7.6
278.08173	0.6
304.09662	43.0
305.10229	0.5
307.08347	4.6
320.09207	5.0
323.11212	0.6
332.38651	0.5
334.10812	2.6
336.12192	1.9
370.06955	4.7
372.08658	1.1
384.08618	0.6
385.09540	0.6
400.11777	5.0
401.12549	0.9
414.09436	1.0
416.15167	0.6
428.11020	6.1
429.12054	37.2
444.14429	100.0
451.24344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05574	0.4
60.18920	0.4
65.92638	0.4
69.64484	0.4
71.87903	0.4
77.80180	0.4
85.72353	0.4
119.82885	0.4
164.20256	0.5
248.10423	0.5
275.09457	4.9
276.10110	7.3
277.37180	0.4
304.09674	41.0
306.07840	0.5
307.08289	6.1
308.08759	0.5
320.09131	8.6
323.07755	0.6
336.12256	1.7
338.10321	4.8
366.09711	7.1
398.10211	1.0
400.11496	0.8
401.12531	1.1
418.02686	0.6
428.10611	5.0
429.11966	31.9
444.14319	100.0
458.07397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05574	0.4
60.18920	0.4
65.92638	0.4
69.64484	0.4
71.87903	0.4
77.80180	0.4
85.72353	0.4
119.82885	0.4
164.20256	0.5
248.10423	0.5
275.09457	4.9
276.10110	7.3
277.37180	0.4
304.09674	41.0
306.07840	0.5
307.08289	6.1
308.08759	0.5
320.09131	8.6
323.07755	0.6
336.12256	1.7
338.10321	4.8
366.09711	7.1
398.10211	1.0
400.11496	0.8
401.12531	1.1
418.02686	0.6
428.10611	5.0
429.11966	31.9
444.14319	100.0
458.07397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86397	0.7
65.12186	0.6
65.21889	0.6
69.03435	1.6
72.70930	0.7
73.02523	0.6
73.02911	2.5
81.03435	0.8
85.02902	7.7
87.04464	1.0
97.02885	6.7
99.04462	1.1
103.42964	0.7
108.08131	6.6
113.02383	5.3
115.03931	8.9
121.06480	3.2
122.09667	3.5
125.92707	0.8
127.03922	0.9
130.58481	0.7
131.03409	12.6
133.04967	0.8
138.09142	1.4
152.07037	1.4
161.04457	2.6
166.08638	1.1
194.79811	0.7
204.10196	1.0
211.43954	0.7
220.09732	2.7
222.11209	1.1
238.10863	1.0
282.09665	1.1
282.13428	0.9
370.15024	0.9
398.14432	100.0
426.13867	6.5
444.14935	79.4
451.20023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.34869	0.6
57.03428	0.7
67.05495	0.8
69.03432	3.8
70.06597	0.7
73.02913	1.1
79.05516	0.7
80.03087	0.5
81.03409	2.8
85.02908	11.5
87.04481	0.6
92.04991	0.8
96.08137	1.5
97.02898	2.9
106.05889	1.2
106.06561	27.4
107.04973	0.9
108.08119	75.6
109.02866	2.8
112.69528	0.6
113.02354	9.2
123.06791	3.0
124.07579	16.5
127.03906	6.5
131.73349	0.7
134.06021	12.1
136.07590	20.5
136.08553	1.4
145.04930	0.9
152.07065	73.2
170.08107	12.6
194.08005	1.0
257.06567	0.9
282.11197	3.4
286.76215	0.7
297.12396	0.8
317.29669	0.7
407.21234	0.8
408.12900	1.3
426.13910	9.8
444.14972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79634	1.2
57.58056	1.6
63.47720	1.3
69.03439	1.7
76.59204	1.3
80.75950	1.5
81.03440	1.6
85.02900	13.2
86.39525	1.4
92.20994	1.5
96.08152	2.9
97.02885	2.4
99.04441	1.5
105.28573	1.7
106.06555	26.8
107.39410	1.5
107.48875	1.6
108.08125	67.8
113.02358	12.5
123.06834	3.2
124.07588	12.8
127.03953	3.6
134.05995	11.7
136.07596	18.1
152.07071	79.7
165.83755	1.4
170.08098	16.3
190.80836	1.9
202.69588	1.8
380.27277	1.6
426.13977	10.8
444.15018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79634	1.2
57.58056	1.6
63.47720	1.3
69.03439	1.7
76.59204	1.3
80.75950	1.5
81.03440	1.6
85.02900	13.2
86.39525	1.4
92.20994	1.5
96.08152	2.9
97.02885	2.4
99.04441	1.5
105.28573	1.7
106.06555	26.8
107.39410	1.5
107.48875	1.6
108.08125	67.8
113.02358	12.5
123.06834	3.2
124.07588	12.8
127.03953	3.6
134.05995	11.7
136.07596	18.1
152.07071	79.7
165.83755	1.4
170.08098	16.3
190.80836	1.9
202.69588	1.8
380.27277	1.6
426.13977	10.8
444.15018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22829	0.9
55.89555	0.8
57.27492	0.8
60.82116	1.1
72.84707	0.9
82.82529	1.0
146.60443	0.9
156.80699	1.3
290.08075	7.4
302.07947	1.5
304.05994	8.7
318.07632	10.9
319.08380	46.0
319.11951	1.9
334.10715	77.3
357.10056	4.2
368.10443	3.6
382.11905	25.9
394.11987	10.8
396.09802	37.1
396.14645	1.7
410.11334	59.6
411.12109	15.9
426.14478	29.6
426.19876	1.4
444.15701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22829	0.9
55.89555	0.8
57.27492	0.8
60.82116	1.1
72.84707	0.9
82.82529	1.0
146.60443	0.9
156.80699	1.3
290.08075	7.4
302.07947	1.5
304.05994	8.7
318.07632	10.9
319.08380	46.0
319.11951	1.9
334.10715	77.3
357.10056	4.2
368.10443	3.6
382.11905	25.9
394.11987	10.8
396.09802	37.1
396.14645	1.7
410.11334	59.6
411.12109	15.9
426.14478	29.6
426.19876	1.4
444.15701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53866	0.3
51.99472	0.4
52.33858	0.5
58.06620	0.6
58.92388	0.4
69.03421	0.9
70.77328	0.5
72.56988	0.5
74.83344	0.4
85.02911	7.4
97.02886	2.9
99.04519	0.6
106.06572	2.3
108.08131	9.0
108.49238	0.5
113.02366	1.1
124.07578	1.0
127.03900	2.3
134.06059	4.8
136.07570	2.0
138.70670	0.4
145.04997	1.9
150.51982	0.5
152.07074	23.3
163.06012	0.8
170.08109	8.8
240.83571	0.4
282.11255	100.0
284.09317	0.4
314.12381	0.6
426.13583	1.0
444.15335	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
64.53029	0.8
69.03424	3.3
70.06564	1.0
73.02924	1.2
76.19122	0.8
79.02008	0.8
81.03415	0.9
85.02929	6.8
86.09710	1.1
91.03967	1.0
93.07040	1.5
97.02896	4.0
99.04462	1.2
121.06506	100.0
122.06866	4.2
126.05510	1.1
127.03913	1.9
132.10245	0.9
137.05986	1.5
138.09143	13.5
139.09462	1.3
144.06572	2.2
145.04903	1.0
149.05956	1.4
150.09172	1.8
152.05623	0.9
162.07632	2.0
162.26886	0.9
164.07076	5.7
166.08636	46.2
178.08580	11.9
197.01225	1.0
203.02501	0.9
236.12816	1.1
264.12277	10.2
282.13318	22.4
340.14304	1.3
426.17258	4.1
444.09256	1.3
444.18588	38.7
458.51318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74302	1.2
57.03436	1.9
57.23430	1.3
61.02927	7.9
64.27900	1.2
69.03439	12.0
71.04987	2.2
73.02908	3.1
76.45190	1.6
81.03399	3.2
81.35207	1.3
85.02908	100.0
85.06548	5.5
87.04478	1.5
91.03948	6.1
97.02898	19.6
99.04436	5.6
103.07581	5.8
109.02888	6.8
109.06491	1.8
115.03894	1.5
127.03895	32.5
139.92793	1.5
145.04962	40.5
163.06006	25.3
189.80432	1.4
229.10814	1.5
240.10213	2.4
241.10942	2.4
247.11604	1.5
265.12738	1.8
270.11197	2.3
282.11276	1.7
285.12354	2.5
297.12329	13.3
312.08612	15.6
325.11301	8.3
337.11819	5.9
341.11240	1.7
444.13687	25.0
468.37103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30953	0.4
55.01864	1.2
57.03436	3.3
57.07055	0.5
59.04985	0.6
61.02928	10.1
61.99155	0.5
62.61026	0.5
65.61745	0.5
67.05490	0.6
69.03429	10.9
71.04989	0.8
73.02920	4.5
81.03416	5.1
85.02902	100.0
85.06542	5.0
87.04461	3.1
91.03945	10.2
92.48690	0.6
97.02888	16.7
99.04439	4.1
103.03976	0.7
103.07596	7.0
109.02877	8.0
115.03852	0.8
127.03907	31.7
145.04958	39.9
163.06000	33.8
173.04463	1.0
217.10675	2.9
222.28430	0.5
229.10677	2.6
247.11740	6.4
265.12753	4.0
271.08163	0.6
278.94336	0.5
282.11172	0.8
289.09094	0.6
325.11322	10.0
343.69659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74302	1.2
57.03436	1.9
57.23430	1.3
61.02927	7.9
64.27900	1.2
69.03439	12.0
71.04987	2.2
73.02908	3.1
76.45190	1.6
81.03399	3.2
81.35207	1.3
85.02908	100.0
85.06548	5.5
87.04478	1.5
91.03948	6.1
97.02898	19.6
99.04436	5.6
103.07581	5.8
109.02888	6.8
109.06491	1.8
115.03894	1.5
127.03895	32.5
139.92793	1.5
145.04962	40.5
163.06006	25.3
189.80432	1.4
229.10814	1.5
240.10213	2.4
241.10942	2.4
247.11604	1.5
265.12738	1.8
270.11197	2.3
282.11276	1.7
285.12354	2.5
297.12329	13.3
312.08612	15.6
325.11301	8.3
337.11819	5.9
341.11240	1.7
444.13687	25.0
468.37103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74725	0.6
53.03940	1.0
55.01861	1.0
57.03436	5.0
59.04994	1.1
61.02638	1.5
61.02932	30.9
67.05500	1.5
69.03437	13.6
70.06596	1.5
71.04994	1.7
73.02918	12.2
81.03424	4.6
81.07063	0.9
83.04985	1.2
85.02907	100.0
85.06537	14.4
87.04461	5.5
91.03954	57.9
94.27153	0.7
95.04967	1.8
95.84830	0.8
97.02888	36.0
97.06535	1.3
99.04452	7.6
101.02383	1.1
101.06007	3.3
103.03945	1.1
103.07579	11.8
105.07082	0.9
109.02857	6.7
109.06496	3.4
111.04430	1.1
113.05999	1.5
115.03924	5.1
115.07552	0.9
121.06480	3.1
127.03906	33.9
127.07463	0.9
136.06186	45.0
145.04958	44.1
163.06006	45.5
173.04445	1.6
181.08635	5.7
211.09677	4.4
217.10690	3.2
229.10715	5.5
247.11774	15.9
265.12808	23.4
282.11926	1.4
325.11105	1.3
340.27917	0.8
357.34283	0.9
444.17868	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88274	0.3
53.02450	0.3
60.54896	0.3
64.51948	0.4
69.07085	0.4
78.19331	0.3
79.69209	0.3
95.67982	0.4
121.06504	0.6
138.02882	0.3
156.22153	0.4
191.61473	0.4
290.25427	0.4
296.16702	0.4
316.09729	0.6
320.09262	1.6
321.10013	2.0
329.10547	1.8
330.11237	3.5
334.10645	2.2
346.10715	5.3
358.10577	0.4
360.12311	8.1
386.13766	0.6
388.15436	0.6
390.16992	0.8
400.19150	4.3
412.19019	1.7
414.17020	9.3
426.26108	0.4
428.18683	4.6
429.19351	2.5
444.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.1
64.46117	0.8
68.25496	0.9
68.37363	1.1
83.34889	0.8
86.30607	0.9
98.97591	35.7
102.00035	1.0
116.97792	1.1
116.98622	30.2
120.71062	0.9
134.99680	16.8
140.00261	1.3
153.00677	1.7
173.57549	0.9
252.24162	1.2
346.10840	1.2
361.20483	1.1
379.21790	1.7
385.20578	2.0
403.21420	20.8
421.22632	100.0
439.23621	11.4
444.23117	8.9
444.33292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56531	0.3
55.01898	0.4
55.05504	0.9
57.03449	3.0
57.98957	0.3
58.06610	0.4
67.05506	2.6
67.07359	0.3
69.07067	0.7
71.05018	0.4
79.05486	2.6
81.07064	3.5
83.08631	0.7
85.06536	1.6
91.05464	0.9
93.07052	2.5
95.04964	2.7
95.08608	0.9
97.10217	0.4
105.07043	1.5
107.04963	0.6
107.08583	2.3
109.06522	12.8
109.10139	0.6
113.05984	6.0
117.07015	1.8
119.08573	2.1
121.06519	1.0
121.10153	0.8
123.08088	0.9
129.06999	0.7
131.08568	2.6
133.10110	1.0
135.08057	11.8
135.11713	1.7
136.06189	100.0
143.08574	0.8
145.10159	0.8
149.09616	0.9
157.10193	0.9
159.11670	0.9
161.09624	1.9
163.11232	0.4
171.11737	0.4
175.11235	0.4
185.00304	0.4
204.12447	0.4
215.84384	0.4
217.15874	3.1
273.18542	2.3
291.19522	48.9
320.09052	0.5
334.10760	0.5
336.12372	0.8
346.16245	0.4
347.67004	0.4
370.59540	0.4
372.70154	0.5
428.14645	0.8
429.14886	0.6
444.17776	6.2
444.25967	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19183	2.9
53.88803	2.9
55.05519	15.6
57.03447	6.6
60.45427	3.0
67.05505	44.4
69.07069	21.7
69.42793	3.6
71.04992	5.7
79.05497	16.5
81.03417	16.5
81.07054	38.1
83.08620	20.2
86.09702	28.6
89.66828	3.8
91.05466	23.2
93.07034	38.0
95.08601	34.3
96.13781	4.0
96.46531	3.5
97.06522	4.3
97.10158	7.1
99.04456	100.0
105.07010	27.0
107.08614	27.7
109.06476	5.0
109.10154	34.3
117.07037	15.2
119.08562	29.8
121.06510	83.2
121.10142	23.7
122.06859	4.6
123.08072	5.3
124.07583	6.6
125.09640	14.4
129.07036	4.6
131.08586	15.4
132.53906	4.7
133.10158	27.8
135.08073	5.5
135.11661	13.2
145.10147	7.3
147.11607	11.9
148.02228	3.9
149.09633	9.2
149.13263	17.8
151.11183	4.2
155.10667	14.0
157.10129	4.6
159.11690	15.6
163.11188	7.8
164.07039	5.9
173.11739	51.7
173.13188	7.1
195.13739	28.8
205.15932	6.3
213.14844	27.6
235.16919	27.8
253.18044	5.7
257.19302	4.2
271.15280	4.9
275.20059	72.6
293.20969	22.0
311.18481	5.3
311.38840	4.0
324.19452	6.9
373.23651	5.0
391.24686	9.5
426.26260	42.2
444.18454	8.8
444.26056	32.6
444.31958	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3105
Annotation	1-Hydroxy-5,6-dihydrojervine
Peak:m/z	Relative Intensity
50.46963	2.1
59.03367	2.4
64.75192	2.6
66.12529	2.5
74.18436	2.5
79.51910	2.7
79.85046	2.4
81.07047	4.8
97.06523	5.0
105.07052	19.7
109.10142	12.6
119.08604	6.2
121.10135	3.9
126.58123	2.7
132.48953	2.9
140.03450	3.0
147.11673	4.6
157.10083	3.8
159.11662	12.6
168.04820	3.0
170.11745	39.7
175.14864	16.5
177.16412	5.6
182.11772	20.2
185.13123	3.9
196.09702	6.3
196.13203	4.1
214.10730	100.0
230.59348	3.2
316.22751	12.1
354.24362	6.0
369.23093	3.7
372.25378	13.7
408.28857	5.8
426.29993	55.4
444.30951	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3108
Annotation	Yibeissine
Peak:m/z	Relative Intensity
67.05518	11.5
69.07065	3.3
78.96060	1.4
81.07051	10.1
86.37991	1.8
88.07622	2.0
91.05479	8.9
95.08617	8.1
97.03477	1.6
108.06730	1.6
109.10148	7.0
119.04954	12.0
123.04458	15.3
136.07574	100.0
136.96132	1.7
147.04413	8.1
150.67136	1.7
154.21729	2.0
162.09677	1.7
164.07054	6.6
165.05455	53.0
175.21834	1.6
182.08118	55.9
182.09648	3.0
193.79468	1.7
199.13326	13.5
256.26404	2.2
301.89493	1.8
398.30399	2.5
403.67932	1.6
444.31009	9.7
444.36597	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.1
57.07077	2.0
58.33555	0.7
61.45827	0.7
65.34926	0.8
67.05512	2.0
68.02540	0.8
70.06290	0.7
70.06589	7.0
71.08632	1.5
79.05470	0.8
81.07097	1.6
83.08636	5.1
85.10169	1.2
85.75996	0.8
88.07633	14.7
93.07047	1.3
95.08613	1.4
97.10176	9.8
100.11290	4.2
102.09199	14.6
107.08609	3.3
112.11255	1.1
114.12736	0.9
125.09635	8.7
129.02130	0.8
142.12297	8.2
144.13869	1.8
188.12877	1.3
189.11368	1.2
215.12784	64.9
215.23921	0.9
256.26334	68.7
274.27286	5.7
283.16855	1.2
370.31207	0.8
444.21747	4.0
444.36923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62836	0.8
55.05515	4.1
57.07072	1.9
67.05507	1.3
69.07074	0.7
70.06596	7.0
71.08637	1.7
81.07050	0.9
82.33365	0.9
83.08627	4.6
85.04129	0.7
88.07626	22.6
93.07038	0.9
97.10158	9.0
102.09188	14.5
107.08584	3.8
109.10110	1.1
125.09612	12.6
155.91235	0.7
171.10207	0.9
181.77397	0.9
189.11253	1.4
215.12782	86.1
256.26337	81.4
274.27435	6.3
413.96225	0.9
444.36835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97186	0.3
57.07080	5.0
67.05499	0.8
69.07053	0.8
71.08630	4.8
73.02927	0.6
81.07028	2.0
85.10186	2.9
95.08581	3.1
99.81448	0.4
122.08227	0.5
137.13177	0.5
143.21191	0.4
147.46640	0.4
155.37302	0.4
171.13794	25.2
199.16922	100.0
227.19954	3.3
242.24716	0.7
262.26492	0.4
266.91068	0.5
290.26889	0.5
303.28928	0.4
411.79385	0.5
444.40436	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80460	1.2
68.89672	1.4
72.04376	1.3
81.03418	1.3
84.04504	5.9
85.02905	2.3
86.09691	1.9
92.21492	1.9
99.04429	2.4
123.07141	1.6
130.05002	3.6
137.05977	63.6
154.08633	8.1
163.66667	1.6
220.09641	2.5
234.32201	1.6
250.35323	1.4
263.98093	1.5
266.10193	8.8
283.12875	13.8
346.69913	1.9
347.64929	1.6
417.17029	1.6
445.10971	100.0
445.17996	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68003	1.9
62.33907	1.9
72.08427	1.9
75.20937	1.7
84.08115	2.1
91.12875	2.1
92.71300	1.9
126.04294	1.9
136.24971	2.2
140.64445	2.3
166.08661	3.9
167.09009	4.2
205.54022	2.3
287.05487	2.1
302.71933	2.2
445.11069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92132	1.3
75.31135	1.5
105.75889	1.7
165.00815	1.7
208.97220	2.4
445.11133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	7.7
58.85867	1.2
59.38581	1.3
69.03437	2.5
70.06600	1.5
81.03419	12.8
84.04488	13.7
85.02911	7.5
86.06068	22.2
91.05454	1.7
92.77312	1.5
96.04447	1.6
97.02897	19.5
98.06083	2.4
109.02940	1.6
111.04443	7.4
114.05537	6.1
127.03877	2.8
130.05000	54.5
134.05986	3.1
136.07556	1.5
137.05974	100.0
142.05038	5.7
148.07544	2.5
154.08641	13.6
162.05495	9.1
164.07037	6.9
166.08612	3.4
176.07050	3.0
192.06509	3.5
194.07968	11.2
208.06033	31.9
220.09691	3.5
222.11287	14.2
228.08669	3.0
238.07095	9.4
241.15547	1.5
266.10248	34.7
283.13055	6.4
361.13910	23.6
391.14856	6.0
409.16052	37.3
425.86066	1.6
427.16992	22.3
445.18280	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73734	1.3
69.03422	6.0
70.06587	2.5
81.03426	14.3
83.04969	2.0
84.04534	11.6
84.04950	1.6
85.02895	11.9
85.06594	1.3
86.06075	14.1
86.09704	3.2
97.02905	19.5
98.06071	1.5
109.02866	2.6
111.04427	3.6
113.02377	7.0
114.02689	2.5
114.05524	5.4
119.04939	1.7
127.03867	1.5
130.04999	48.7
136.06180	1.7
136.07574	2.6
137.05977	100.0
142.05017	3.5
145.04984	1.7
148.07639	1.5
151.96315	1.6
152.07280	1.5
154.08652	11.2
162.05472	6.6
164.07086	3.3
166.08582	2.1
169.92921	1.5
176.06998	2.1
180.06567	2.3
192.06578	2.5
193.73001	1.4
194.08167	9.8
203.10216	1.9
208.06058	24.7
209.68971	1.5
220.09682	7.9
222.11186	10.4
223.78777	1.5
238.07101	7.3
256.08301	2.2
266.10229	40.1
283.12973	18.0
339.06302	1.5
356.16772	1.7
361.13882	16.6
391.14969	5.9
409.16037	34.2
427.17352	16.7
445.12799	1.9
445.18323	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27163	0.6
50.62250	0.7
53.88098	0.6
55.05522	1.6
61.02733	0.7
66.09368	0.7
67.05474	0.8
69.07063	1.4
73.02916	1.6
73.09918	0.7
79.05452	0.8
83.08617	4.8
88.07623	1.3
93.07016	1.4
95.08614	4.0
97.06514	0.9
99.04449	11.4
104.07135	0.8
105.86328	0.7
110.09719	1.7
111.08080	7.7
114.09161	1.0
121.06520	3.5
128.10678	6.6
138.09119	5.3
139.07547	20.2
155.10727	1.4
156.10181	12.0
157.08618	4.0
179.74933	0.9
182.11748	11.7
183.10170	39.8
186.30296	0.9
200.12822	100.0
242.24831	1.6
270.24341	0.8
293.41925	0.8
367.13535	0.8
397.34116	0.8
427.31964	0.9
445.36386	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58023	0.6
58.00937	0.6
58.52225	0.6
58.89116	0.6
59.70707	0.6
69.07075	0.8
73.02913	2.8
79.05523	0.7
83.08618	6.5
86.09711	1.0
88.07623	1.0
89.71786	0.7
93.07034	1.6
95.08619	4.2
95.13403	0.8
97.06524	0.7
97.97384	0.7
99.04447	9.6
107.49513	0.7
110.09667	3.6
111.08094	8.7
121.06482	1.7
128.10706	7.4
138.09178	6.3
139.07550	19.2
139.08597	0.9
139.56389	0.8
143.87335	0.7
155.10750	1.0
156.10194	13.0
157.08618	3.7
182.11777	11.2
183.08514	1.0
183.08942	0.9
183.10159	40.3
200.12813	100.0
242.24821	2.8
397.34085	0.9
445.36368	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05519	1.3
63.94664	0.6
69.02234	0.6
69.07072	2.9
73.02916	1.8
79.05520	0.7
83.08633	5.5
86.06160	0.7
88.07599	1.4
93.07030	3.3
95.08622	3.4
96.01697	0.7
99.04456	9.3
103.05608	0.7
104.07080	1.0
104.88579	0.7
110.09639	2.6
111.08076	8.6
113.24329	0.8
114.09204	1.1
121.06517	1.8
121.10130	1.0
122.08172	1.1
128.10736	8.3
138.09145	6.7
139.07539	21.7
150.32350	0.7
155.10600	0.9
156.10172	12.4
157.08624	4.8
165.09045	0.9
176.40533	0.6
182.11740	11.5
183.10162	42.8
189.92722	0.8
191.80400	0.7
200.12810	100.0
240.43462	0.9
383.52341	0.8
396.97314	0.8
445.36386	82.8
469.00674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22676	0.5
55.01882	0.6
55.05512	1.4
67.05499	1.0
69.07060	1.3
70.03685	0.6
71.08642	0.7
73.02923	3.1
81.07054	1.2
83.08623	6.5
88.07636	2.3
92.20997	0.8
93.07034	2.4
95.08614	7.1
97.86807	0.6
99.04462	7.7
101.50032	0.5
104.07124	0.8
107.08585	0.8
109.10186	0.8
110.09695	2.8
111.08089	7.7
114.09169	0.9
121.06502	2.8
122.08162	0.7
128.10710	6.4
138.09105	5.6
139.07536	19.1
139.39380	0.6
155.10686	0.9
156.10199	11.4
157.08629	3.8
174.11292	0.8
182.11734	11.6
183.08502	0.9
183.08861	0.8
183.10161	42.0
200.12810	100.0
242.24814	2.4
290.26889	0.7
397.34491	0.8
445.31677	3.5
445.36404	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13284	0.6
55.64599	0.6
64.58118	0.7
67.05495	1.2
71.08629	0.7
73.02907	1.8
83.08613	5.8
87.32411	0.7
88.07638	3.0
93.07041	1.2
95.08611	3.8
99.04453	10.5
109.60744	0.7
110.09686	1.8
111.08080	6.9
121.06502	1.0
128.10718	7.1
138.09145	6.5
138.10069	0.7
139.07536	21.6
155.10672	1.0
156.10197	9.4
157.08597	3.4
159.94182	0.7
182.11755	12.9
183.10143	39.1
200.12811	100.0
242.24635	0.9
285.26019	0.8
318.87863	0.8
321.17877	0.7
411.25214	0.8
445.36353	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36486	0.4
55.05505	0.8
62.51942	0.5
64.39940	0.5
67.05508	0.7
68.84246	0.5
69.07063	2.4
73.02924	1.3
78.96330	0.6
79.05495	0.9
83.08633	5.3
86.09708	0.7
88.07653	0.9
89.64378	0.5
93.07047	3.2
95.08585	4.6
99.04456	10.5
104.07091	0.6
110.09689	1.3
111.08092	6.9
112.24630	0.5
114.09179	0.7
121.06511	2.9
128.10699	8.2
138.09166	5.9
139.07547	17.9
147.85793	0.6
155.10760	0.8
156.10193	13.3
157.07481	0.6
157.08655	3.6
174.11180	0.9
182.11755	11.3
183.10158	42.6
200.12814	100.0
242.24754	2.5
247.13452	0.6
290.26935	0.7
397.34192	0.8
445.36404	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	globosterol
Peak:m/z	Relative Intensity
55.05508	5.5
57.07084	6.6
67.05515	6.8
69.07063	25.3
71.08627	12.7
79.05489	6.3
81.07061	26.9
83.08643	5.1
85.10181	11.3
87.41660	3.2
93.07036	16.3
95.08607	35.3
97.10186	11.9
105.07026	16.8
107.08601	29.7
109.10139	26.7
119.08607	14.9
121.10129	21.6
123.11662	5.9
127.51277	3.1
131.08556	5.1
133.10114	15.4
133.22990	3.1
135.11713	7.2
137.13223	4.4
142.88390	2.9
145.10097	12.2
147.11687	17.0
149.13237	5.7
149.15016	2.8
155.07086	4.4
157.10072	3.7
159.11702	12.6
161.13158	7.1
173.13223	5.1
185.13133	3.7
187.14847	4.5
191.10606	5.8
199.13139	3.1
201.16370	6.0
261.26117	3.0
287.20074	3.9
305.21500	3.7
341.32196	7.1
343.33688	10.9
385.34204	6.0
427.35822	26.7
445.23837	5.6
445.36850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	globosterol
Peak:m/z	Relative Intensity
50.47094	1.3
52.69991	1.3
55.05513	7.1
57.07073	17.6
57.07249	1.1
65.64027	1.5
67.05508	8.7
69.07062	24.4
71.08637	17.4
79.05486	6.6
80.56449	1.4
81.07058	28.5
83.08612	11.1
85.06544	2.1
85.09738	1.4
85.10181	15.1
87.11103	1.5
91.05499	3.4
93.07048	17.7
95.08595	32.6
97.10169	11.0
105.07032	13.3
107.08589	18.1
109.10135	12.5
111.08102	1.5
111.11722	6.2
119.08583	9.4
121.06519	6.4
121.10168	17.9
123.08105	2.6
123.11707	6.8
129.06993	1.8
131.08560	14.1
133.10130	15.6
135.07971	2.0
135.11711	12.7
137.13307	2.2
138.06966	1.7
143.08574	2.7
145.10117	14.1
147.11688	14.4
149.13268	10.2
151.11237	1.8
155.08505	1.7
157.10159	3.0
159.11700	11.6
160.89331	1.5
161.13225	9.1
163.11182	2.0
163.14832	6.9
171.11708	2.8
173.09572	3.5
173.13194	5.9
175.14854	2.8
177.16342	3.0
179.10646	2.1
185.13246	2.8
187.14841	2.9
191.10663	6.6
199.14757	3.1
201.12761	2.0
201.16386	2.4
213.16298	1.9
219.21184	1.7
227.17908	3.1
245.18962	1.8
275.27408	3.9
287.20016	3.0
289.29120	2.0
301.28741	2.6
333.27905	2.9
361.31195	2.8
367.33588	6.7
381.35110	6.4
385.34723	9.6
409.34607	19.4
427.35727	40.4
445.36755	100.0
453.78381	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
50.86375	2.7
51.85345	3.1
55.05516	13.9
55.05780	2.9
57.07074	21.2
60.12774	4.0
67.05507	6.0
69.07059	34.3
69.60741	3.1
71.01393	3.6
71.08624	19.1
72.98648	3.0
73.54498	3.2
80.36847	3.8
81.07056	44.3
82.93338	3.0
83.08608	20.1
85.10181	6.9
91.63208	3.6
93.07059	27.0
95.08593	48.0
95.27097	3.6
97.10148	8.3
105.07042	25.3
107.08600	38.0
109.10143	35.6
111.11728	7.6
119.08567	19.4
121.10148	24.5
123.11677	13.9
131.08548	18.6
133.10106	35.6
135.11693	17.1
137.13271	4.9
143.08487	5.8
145.10135	23.5
147.11696	28.5
149.09837	4.0
149.13286	15.0
155.06999	4.8
157.10104	6.0
159.11732	28.2
161.13231	15.8
163.14857	7.9
165.09093	14.3
170.11754	6.5
171.11983	5.1
173.13237	6.4
175.14809	7.7
182.11787	3.6
185.13257	4.8
187.14870	6.2
189.16377	4.1
191.10670	8.1
199.14726	5.7
201.16402	5.6
214.10744	17.0
215.11024	8.4
227.17999	6.6
231.13751	5.0
261.25623	3.7
287.19974	5.4
341.32098	5.7
343.33621	20.1
385.34579	4.4
427.30109	18.7
427.35696	42.2
445.31503	30.3
445.36710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	globosterol
Peak:m/z	Relative Intensity
53.17447	4.9
55.05500	6.1
55.98259	5.9
56.57166	5.9
57.07077	12.9
60.95366	4.8
63.44059	5.2
67.05505	9.1
69.07059	31.1
71.08632	24.1
81.07053	27.0
83.08630	10.0
88.07616	10.7
91.90662	5.2
93.07047	22.9
95.08616	49.2
105.07038	12.9
107.08607	25.2
109.10162	31.1
111.11689	5.6
119.08580	30.6
121.10150	11.4
123.11752	10.8
131.08549	8.1
132.10255	6.6
133.10164	13.1
135.01709	5.8
135.11723	7.6
137.13335	6.7
138.50026	5.4
145.10146	28.3
146.11745	6.2
147.11707	26.5
149.13214	10.9
155.06972	7.9
159.11713	10.7
163.14792	6.2
175.14828	9.0
190.26779	6.3
191.10573	18.6
201.16373	6.3
339.05923	5.7
343.33685	9.9
362.14767	7.0
383.37073	25.5
385.34811	7.2
427.36008	40.0
445.23352	29.5
445.35947	100.0
445.41089	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46638	0.4
87.63605	0.5
164.29422	0.5
168.94366	0.6
175.67357	0.6
187.80724	0.5
292.09671	2.9
320.09158	100.0
334.10840	0.8
402.09683	0.8
446.08148	4.0
446.13574	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39505	0.4
51.70970	0.3
92.21514	0.9
191.67561	0.5
193.83549	0.5
221.84012	0.5
289.95108	0.4
313.65497	0.5
313.93530	0.4
319.08273	0.6
320.09149	0.8
345.09866	5.9
358.06680	0.5
358.10657	1.9
358.14789	0.6
372.08490	3.2
373.09399	5.2
374.09927	0.8
386.10190	2.9
387.10986	0.8
388.11725	0.7
400.11755	2.3
401.08896	0.9
402.09451	2.7
402.14130	3.9
418.12439	3.3
430.09152	16.5
431.09970	5.3
446.12308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48334	0.4
56.94692	0.5
174.91707	0.7
206.95816	0.6
222.02235	0.7
290.08221	1.2
320.09119	1.1
324.89212	0.7
329.06750	1.4
331.08490	1.1
333.06296	1.4
334.10666	1.1
335.07803	0.9
342.07684	1.1
346.07169	7.7
347.07700	0.9
358.07187	7.5
359.07892	2.7
360.08749	3.0
369.09763	1.3
370.06912	1.6
372.08710	5.0
378.31589	0.7
385.05643	1.5
386.10284	0.9
387.06784	1.8
387.11377	0.8
388.08463	4.5
395.24860	0.7
402.09793	4.1
410.62943	0.6
414.09729	1.1
416.07657	47.3
423.70886	0.6
431.09924	19.8
445.83176	0.7
446.12289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04142	0.3
106.48878	0.4
137.48438	0.4
146.36559	0.4
160.53764	0.4
166.81360	0.4
329.06866	2.6
330.07703	0.6
331.08368	0.9
333.06299	3.2
334.10733	0.6
342.07486	2.7
344.05273	0.6
346.07071	7.1
357.10120	0.8
358.07126	9.0
359.08011	4.1
360.08658	4.7
364.98196	0.5
368.09067	0.5
369.09906	2.4
370.06946	3.1
372.04834	0.5
372.08694	6.1
385.05862	1.6
386.10138	2.5
387.07373	2.7
387.11493	1.5
388.08090	5.5
402.09818	4.1
414.09705	2.5
416.07639	49.1
430.08743	0.8
431.09958	18.8
446.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42595	0.4
60.52883	0.5
64.16409	0.5
69.32117	0.5
127.59769	0.6
155.00980	0.5
165.03955	0.6
199.65128	0.7
297.14783	0.6
329.06854	2.4
330.07660	1.0
333.06155	2.2
336.12375	0.9
344.05496	0.7
346.07147	9.6
357.09970	1.1
358.07016	8.4
358.10773	0.8
359.07986	3.1
360.08667	3.8
363.42017	0.7
369.09860	2.8
370.07089	3.7
372.08841	5.2
384.48584	0.6
385.05969	1.0
386.10248	2.8
387.07050	2.1
387.11423	1.2
388.08286	5.4
402.09784	4.9
414.09698	2.7
416.07635	49.8
430.09320	2.8
431.09967	20.0
446.12350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39505	0.4
51.70970	0.3
92.21514	0.9
191.67561	0.5
193.83549	0.5
221.84012	0.5
289.95108	0.4
313.65497	0.5
313.93530	0.4
319.08273	0.6
320.09149	0.8
345.09866	5.9
358.06680	0.5
358.10657	1.9
358.14789	0.6
372.08490	3.2
373.09399	5.2
374.09927	0.8
386.10190	2.9
387.10986	0.8
388.11725	0.7
400.11755	2.3
401.08896	0.9
402.09451	2.7
402.14130	3.9
418.12439	3.3
430.09152	16.5
431.09970	5.3
446.12308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1446
Annotation	Azicemicin B
Peak:m/z	Relative Intensity
52.95356	0.6
65.33182	0.7
69.03413	0.9
72.08171	1.1
77.88341	0.7
81.18661	0.8
82.06583	1.4
84.08150	2.0
85.02917	1.6
86.09688	1.4
87.04478	1.0
101.07103	1.4
106.98775	0.8
107.04945	1.4
134.05986	1.1
136.07561	3.7
137.06004	1.1
138.39090	0.8
145.62106	0.9
160.03922	3.9
162.05519	3.7
162.35031	0.9
178.04974	15.6
190.04982	22.2
190.08598	1.2
266.07999	6.3
284.09158	100.0
326.10110	1.2
338.12521	9.4
340.11902	1.6
356.11456	1.7
377.15073	1.8
390.28976	1.0
418.13214	0.8
446.14377	72.7
446.20605	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57937	0.2
62.36120	0.2
65.02615	0.2
69.03408	0.5
85.02879	1.6
86.09680	0.5
87.04472	0.4
97.02882	0.3
107.04926	1.4
113.75327	0.3
134.05971	1.1
154.77908	0.2
160.03915	3.4
162.05493	4.8
167.05904	0.3
178.04987	18.7
190.04993	22.2
212.06804	0.2
239.52916	0.2
247.05815	0.3
266.08121	5.8
266.13843	0.4
267.08960	0.3
284.09171	100.0
313.42395	0.2
326.10165	1.5
429.91391	0.3
446.14456	66.5
459.83801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1653
Annotation	THIOPROPAZATE
Peak:m/z	Relative Intensity
54.10002	0.7
57.03440	1.0
61.02937	0.9
62.95119	0.9
69.03429	4.0
70.06586	1.1
70.61604	0.7
72.08160	1.0
72.39545	0.7
73.02923	0.9
76.27457	0.7
81.03392	1.5
84.08179	0.9
84.78612	0.7
85.02903	29.8
86.03252	1.2
91.05487	1.4
92.54598	0.8
97.02886	4.1
119.04913	0.9
121.06498	1.9
122.65976	0.9
127.03928	1.8
130.04985	1.0
131.03345	1.1
131.04904	1.6
137.05975	100.0
152.06990	1.0
153.05565	0.9
154.08618	34.4
198.29555	0.9
220.09645	9.6
222.69028	1.0
238.10735	27.7
266.13733	1.7
284.12723	65.9
303.68674	0.9
312.04904	0.9
330.73230	0.9
401.13025	0.9
422.91742	0.9
428.19223	1.0
446.18045	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48975	0.4
53.35335	0.3
69.03404	0.6
70.06583	1.8
72.96815	0.4
79.05402	0.5
81.03429	0.9
85.02903	1.9
86.06084	0.6
87.04471	0.6
91.05469	2.8
93.07028	4.1
95.04955	1.9
96.04456	0.4
97.02915	1.6
98.06044	0.8
99.04456	0.6
103.05457	1.7
107.04962	8.0
108.04478	0.6
109.02869	0.7
112.07620	0.5
119.04922	5.4
121.06501	100.0
122.06023	14.8
125.04771	1.7
126.05482	4.6
127.03894	0.7
130.08606	2.0
136.07674	0.5
138.09146	0.8
140.38664	0.4
144.06587	1.7
146.08099	0.4
147.04404	98.0
148.07553	5.0
150.09142	2.3
156.10178	0.8
162.07613	1.0
163.84058	0.4
174.11198	0.5
228.10091	1.5
246.11234	8.3
264.12299	6.3
282.13385	12.3
331.11420	0.4
331.38400	0.4
334.10699	0.4
406.67905	0.4
410.10403	0.5
410.15961	25.8
428.17068	25.9
446.18036	28.3
446.27240	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1806
Annotation	FUMIQUINAZOLINE A
Peak:m/z	Relative Intensity
50.48975	0.4
53.35335	0.3
69.03404	0.6
70.06583	1.8
72.96815	0.4
79.05402	0.5
81.03429	0.9
85.02903	1.9
86.06084	0.6
87.04471	0.6
91.05469	2.8
93.07028	4.1
95.04955	1.9
96.04456	0.4
97.02915	1.6
98.06044	0.8
99.04456	0.6
103.05457	1.7
107.04962	8.0
108.04478	0.6
109.02869	0.7
112.07620	0.5
119.04922	5.4
121.06501	100.0
122.06023	14.8
125.04771	1.7
126.05482	4.6
127.03894	0.7
130.08606	2.0
136.07674	0.5
138.09146	0.8
140.38664	0.4
144.06587	1.7
146.08099	0.4
147.04404	98.0
148.07553	5.0
150.09142	2.3
156.10178	0.8
162.07613	1.0
163.84058	0.4
174.11198	0.5
228.10091	1.5
246.11234	8.3
264.12299	6.3
282.13385	12.3
331.11420	0.4
331.38400	0.4
334.10699	0.4
406.67905	0.4
410.10403	0.5
410.15961	25.8
428.17068	25.9
446.18036	28.3
446.27240	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94860	0.2
60.20364	0.3
62.56871	0.2
64.11239	0.3
67.42255	0.3
85.02852	1.8
86.09645	1.3
88.03955	0.3
97.02856	0.5
107.04962	0.3
132.10173	1.3
153.05499	0.9
262.58640	0.3
266.08020	0.4
284.12808	100.0
310.09549	0.3
436.96130	0.4
446.18137	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1812
Annotation	FUMIQUINAZOLINE A
Peak:m/z	Relative Intensity
53.07289	0.2
58.06569	0.3
63.41926	0.2
67.73540	0.3
69.03400	0.3
69.18315	0.3
70.06547	1.1
72.23396	0.2
80.37489	0.2
81.45850	0.2
84.04490	0.3
84.08118	0.4
85.02918	1.9
86.06060	0.2
86.09692	2.1
89.03120	0.2
107.04933	0.3
115.08687	0.2
120.75977	0.2
121.23931	0.3
127.03873	0.4
132.10155	1.2
135.04416	0.3
137.06027	0.4
145.04964	0.4
153.05470	0.4
167.02632	0.3
176.07056	0.3
221.77971	0.3
251.55347	0.3
251.81793	0.3
253.45070	0.3
256.11633	0.6
266.08026	0.3
284.12811	100.0
312.45245	0.2
388.23621	0.3
446.18149	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.5
59.94059	0.6
60.73250	0.6
61.71119	0.6
66.50108	0.6
69.03427	4.3
75.68703	0.7
86.06070	16.6
87.04471	46.2
104.07108	100.0
111.30133	0.7
175.73482	0.8
417.66302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17070	0.7
55.90833	0.6
57.52883	0.6
67.05521	1.0
81.07061	1.1
93.07043	1.7
95.08617	1.0
117.76444	0.7
121.06511	8.0
136.06209	2.6
151.11220	0.8
157.10129	0.8
174.79033	0.7
176.07005	5.3
256.11038	4.9
271.13290	3.4
271.15765	1.6
272.16324	0.9
292.09766	6.6
306.07632	2.6
320.09113	7.2
321.09970	12.9
334.10812	1.1
336.12335	4.9
346.10803	4.4
348.08737	3.3
362.10168	9.5
374.13867	2.5
386.17557	1.0
414.17426	1.0
428.27795	3.2
446.19647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74697	0.9
57.74282	0.9
69.03445	1.4
70.06621	1.1
79.13540	1.0
84.08147	2.4
85.02914	6.3
86.09709	1.9
103.05495	1.4
107.05004	1.7
118.01724	1.0
120.08104	70.2
121.06519	4.7
130.05008	1.9
131.04904	2.3
134.08432	1.1
134.09627	2.1
137.05978	24.5
138.06346	1.6
149.05943	1.3
152.10730	1.5
166.08617	44.4
174.05531	1.1
177.05487	5.6
194.08156	1.1
195.96899	1.0
213.56174	1.2
252.03900	1.3
266.08069	12.5
266.13931	1.5
284.09311	10.3
284.12729	100.0
410.16226	1.2
428.18802	5.1
446.20193	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74697	0.9
57.74282	0.9
69.03445	1.4
70.06621	1.1
79.13540	1.0
84.08147	2.4
85.02914	6.3
86.09709	1.9
103.05495	1.4
107.05004	1.7
118.01724	1.0
120.08104	70.2
121.06519	4.7
130.05008	1.9
131.04904	2.3
134.08432	1.1
134.09627	2.1
137.05978	24.5
138.06346	1.6
149.05943	1.3
152.10730	1.5
166.08617	44.4
174.05531	1.1
177.05487	5.6
194.08156	1.1
195.96899	1.0
213.56174	1.2
252.03900	1.3
266.08069	12.5
266.13931	1.5
284.09311	10.3
284.12729	100.0
410.16226	1.2
428.18802	5.1
446.20193	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65708	0.5
56.39923	0.6
57.03442	0.8
58.06607	28.6
58.85431	0.6
73.02919	3.8
82.33832	0.6
83.76772	0.6
102.02435	0.7
104.19656	0.7
107.04957	38.2
107.05682	1.4
116.76550	0.7
121.06516	5.2
137.05980	5.4
138.79034	0.8
143.04916	8.0
145.06519	7.1
149.49797	0.8
151.07623	0.8
175.07544	6.9
192.10291	1.0
194.11807	1.0
209.09694	2.9
237.09045	5.1
239.10689	1.5
269.11688	23.3
269.14386	1.2
271.13214	5.9
282.14655	0.8
284.09082	0.8
314.17496	100.0
446.21732	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12100	0.5
55.05519	3.6
59.86357	0.5
60.97040	0.5
61.89079	0.5
67.05533	0.6
69.07059	2.8
72.40946	0.5
81.07047	0.9
83.08625	16.7
88.07043	0.5
88.07661	0.8
93.07053	0.7
95.08601	0.8
100.85987	0.7
103.58066	0.6
111.08080	6.3
121.06544	0.8
129.09119	0.6
139.07571	1.3
157.08656	3.2
175.09709	1.2
183.10220	3.1
201.11214	100.0
213.89899	0.6
242.25031	0.9
336.12332	2.5
339.27335	0.6
348.39978	0.7
446.34845	43.4
464.29254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83381	0.3
53.92334	0.3
55.01879	0.3
55.05498	2.3
57.72441	0.3
62.40439	0.3
64.47291	0.3
64.91627	0.3
65.71102	0.3
69.07055	2.2
77.79645	0.3
83.08138	0.6
83.08624	15.7
89.75896	0.3
93.07053	0.7
95.08616	0.7
95.92489	0.3
98.37471	0.3
99.04465	0.8
111.07467	0.4
111.08089	6.4
129.09100	0.7
139.07574	1.3
150.31921	0.4
157.08600	2.6
175.09647	0.8
183.10094	2.3
191.08519	0.4
196.47556	0.4
201.11215	100.0
242.24719	1.5
446.34750	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82736	0.9
51.87512	0.8
54.81919	0.9
55.05523	1.7
57.03477	0.9
57.07077	2.2
58.06610	12.8
59.07384	2.2
59.47673	0.9
60.08168	6.6
64.43004	1.2
65.20885	1.0
67.05523	1.3
69.07078	4.0
70.64835	0.9
71.08634	2.6
72.04518	6.2
75.32645	1.0
81.07068	1.3
83.08628	17.2
85.10210	1.1
90.97556	1.0
95.08622	4.7
111.08088	7.1
113.05973	1.5
118.05013	12.6
118.53926	1.2
129.64487	1.0
130.08611	1.1
144.10182	9.0
155.01103	2.3
157.08615	1.5
157.60643	1.1
162.11458	1.2
163.87706	1.3
165.14255	1.1
183.04193	1.7
183.10219	1.5
201.11209	89.5
208.97536	1.1
218.13890	1.1
236.14906	87.1
238.43353	1.1
240.47849	1.0
242.24933	1.9
285.24304	1.3
317.82773	1.1
319.08231	1.3
428.33817	10.8
446.34872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08383	0.3
55.01874	0.4
55.05516	3.1
55.99648	0.3
56.39617	0.3
58.06586	0.4
69.07072	2.6
79.05439	0.4
83.08138	0.5
83.08618	14.6
84.16024	0.3
86.71603	0.3
88.07607	0.6
91.05418	0.5
93.07034	0.6
95.08595	0.7
99.04426	0.6
99.77757	0.3
111.08076	5.9
121.06493	0.5
129.09061	0.8
137.76167	0.4
139.07524	1.6
157.08601	2.2
175.09657	1.9
183.10127	1.9
201.11203	100.0
236.14841	0.4
242.24730	0.6
274.78427	0.4
320.09021	0.9
446.34732	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30008	0.7
55.05517	0.8
57.07087	1.2
59.71027	0.7
60.66798	0.7
69.07083	1.1
81.07066	1.8
83.08623	1.8
95.08577	0.9
97.10181	1.1
101.32874	0.8
109.10153	1.6
123.11720	1.2
151.92006	0.8
164.07050	100.0
178.08647	3.1
428.35226	1.7
432.88010	0.9
446.36316	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.4
62.60151	0.9
68.78027	1.3
70.06583	10.9
71.08642	1.5
83.08605	1.3
84.08112	1.8
86.09727	2.1
88.07648	5.2
89.71793	1.1
95.20351	1.3
97.28548	1.2
102.09182	1.8
105.06986	1.4
110.76311	1.1
132.10188	10.9
146.11768	12.6
258.69324	1.2
262.07355	1.2
273.31314	1.2
283.47388	1.4
296.32980	1.8
322.34714	2.5
340.35760	19.1
384.38321	65.3
446.42111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89448	0.7
57.07074	3.2
60.25144	0.8
70.06599	12.3
71.08658	2.6
72.08157	1.1
75.73969	0.7
76.02930	0.8
84.08154	1.4
86.09720	1.7
88.07632	5.2
102.09180	3.5
109.92334	0.8
132.10176	10.7
146.11751	13.5
178.68672	0.8
180.07825	1.2
187.25108	0.7
218.56992	0.8
296.33337	1.4
314.26834	0.8
322.34677	4.2
340.35773	26.3
340.39594	1.2
384.38345	65.6
409.17981	0.8
428.40948	1.2
446.42105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82665	0.2
59.20205	0.2
66.71974	0.2
85.72375	0.2
86.96016	0.2
93.07058	0.2
151.56696	0.2
177.52820	0.2
179.82518	0.2
251.20067	0.2
270.05133	1.9
285.07562	100.0
320.09308	0.4
321.09634	0.4
356.56784	0.3
406.08850	3.3
447.12622	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1278
Annotation	Sissotrine
Peak:m/z	Relative Intensity
63.92707	0.1
66.79714	0.2
73.75791	0.1
90.68200	0.2
91.77276	0.1
107.47652	0.1
111.43533	0.1
136.06190	0.3
176.06361	0.1
242.05635	0.8
270.05212	2.1
285.07568	100.0
297.07614	0.3
303.22412	0.2
320.22156	0.2
327.08728	0.3
447.12888	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Trifolirhizin
Peak:m/z	Relative Intensity
53.70887	0.1
57.15808	0.2
72.94895	0.2
74.98421	0.2
89.59552	0.2
92.21522	0.3
138.68758	0.2
151.79681	0.2
152.16473	0.2
153.01892	0.2
167.07066	0.2
242.05666	0.7
247.98463	0.2
270.05234	2.5
285.07568	100.0
447.12665	4.0
447.21664	1.1
470.30695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67790	0.2
57.05145	0.2
58.67698	0.2
91.82790	0.2
206.31325	0.3
216.30484	0.3
242.05791	0.4
249.23979	0.3
270.05148	2.2
285.07553	100.0
314.03418	0.3
320.09103	2.7
321.09525	1.6
337.12640	0.3
373.78867	0.3
386.84854	0.3
401.83469	0.3
406.08862	1.8
408.75668	0.3
443.06500	0.3
447.12799	4.8
447.18903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28136	0.2
64.67883	0.2
102.33212	0.3
102.88788	0.2
106.05933	0.2
147.06758	0.3
167.07004	1.0
181.04939	1.1
242.05702	0.5
270.05167	2.3
285.07562	100.0
292.07315	0.2
319.08292	0.4
320.09152	1.0
321.09637	0.4
335.11420	0.5
337.12552	0.3
447.12537	3.9
447.18860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Sissotrine
Peak:m/z	Relative Intensity
68.16945	0.2
69.02183	0.2
75.62478	0.2
83.61600	0.2
90.67155	0.2
106.38850	0.2
109.50043	0.2
129.87241	0.2
165.30983	0.2
172.79732	0.2
181.12332	0.3
242.05603	0.4
270.05280	2.3
285.07559	100.0
318.07465	0.4
320.08994	0.3
333.10104	0.4
334.10660	0.3
447.12814	4.6
447.19089	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.8
55.05526	16.1
57.03448	20.6
57.07080	8.4
59.20117	1.2
61.53657	1.2
62.53350	1.0
67.05502	6.8
67.08334	1.1
69.07077	28.2
70.71930	1.1
71.08635	3.2
73.38634	1.2
78.80550	1.4
79.03658	1.1
79.05496	5.5
81.07070	8.1
83.08630	23.9
93.07043	5.7
95.08620	5.4
97.06557	1.2
97.10155	12.4
98.98472	31.9
107.08609	6.0
111.11763	1.6
120.34109	1.4
121.10191	2.9
129.63281	1.4
133.10156	1.7
135.11716	5.0
137.00008	50.4
155.01047	28.7
173.13429	1.3
211.03737	1.5
237.22209	2.0
285.07367	1.6
311.25864	14.1
388.22180	1.3
400.38174	1.6
447.25113	100.0
447.31247	4.2
462.12552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21366	1.5
55.01883	2.0
55.05518	9.6
57.03433	3.8
67.05508	24.3
69.07079	14.2
71.04976	2.8
75.99216	1.8
79.05492	16.5
81.03432	2.0
81.07062	30.6
83.08626	9.2
91.05479	19.5
92.21528	2.2
93.07055	20.3
95.04994	2.6
95.08588	18.3
97.10167	15.1
105.07048	21.7
107.08594	37.0
109.06507	3.4
109.10158	19.7
111.08085	1.8
117.07032	3.5
119.08564	26.8
121.06466	3.4
121.10132	10.5
123.08067	2.6
123.11703	3.8
125.09621	14.9
131.08582	11.8
133.10118	26.6
135.08089	8.5
135.11729	7.3
136.06181	2.2
137.02351	4.5
143.08521	2.1
145.10173	14.8
147.08047	2.0
147.11696	21.6
149.09641	10.4
155.10707	3.0
157.10150	2.4
159.11707	12.4
161.13252	7.7
163.11116	2.4
173.11774	6.9
173.13306	3.8
175.11237	2.3
177.12709	7.2
179.14302	2.3
185.13193	2.1
189.11217	11.8
221.15289	3.3
235.16992	2.9
239.17943	3.0
247.20531	3.2
257.19052	8.1
275.16989	3.2
275.20059	100.0
285.07608	23.1
293.21066	21.5
314.55911	2.2
321.09573	2.6
394.22141	2.9
447.19400	29.3
447.28796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3104
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
54.44650	1.9
55.05514	16.7
57.03445	4.4
57.22065	2.1
58.31599	1.9
58.60345	2.1
67.05512	21.4
69.03439	2.6
69.07057	9.2
71.04980	2.6
79.05499	12.9
81.07060	27.8
82.95049	2.1
83.04995	5.4
83.08615	16.1
84.59533	2.2
89.11903	2.2
91.05489	10.2
91.82458	2.3
93.07045	16.9
95.04986	4.1
95.08603	18.3
97.06514	3.8
97.10179	19.1
99.04478	2.9
105.07014	5.8
107.08601	16.1
107.77072	2.2
109.10152	11.4
117.07052	3.4
119.08570	25.8
120.08940	2.2
121.06503	2.1
121.10136	11.7
121.20554	2.5
123.08059	14.4
125.09631	13.0
131.08566	10.3
133.10161	11.1
135.08066	5.5
135.11671	4.0
143.08583	5.6
145.10114	15.1
147.11754	5.6
149.09619	5.2
157.10127	9.5
159.11687	4.9
159.80394	2.6
169.10085	3.3
171.11676	5.4
173.13251	3.4
183.11757	4.2
185.13185	3.0
189.11203	3.2
191.14337	3.0
259.20526	21.9
285.07544	11.0
393.27997	4.0
404.34210	2.6
411.28821	14.6
429.25891	2.5
429.30096	45.0
447.21509	4.3
447.31204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49535	0.7
67.16542	0.7
79.32288	0.8
79.52441	0.8
119.84486	0.7
132.92638	0.9
137.61270	0.8
143.91115	0.8
168.23024	0.8
203.68541	1.1
288.66721	0.8
306.07666	11.8
318.07483	1.9
319.08383	1.9
320.05371	6.0
334.07047	8.0
334.10855	3.0
335.07864	40.1
350.10208	100.0
402.38403	0.9
448.13861	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37785	0.3
52.59152	0.4
60.73837	0.4
61.76069	0.4
63.19367	0.4
68.41087	0.4
97.82863	0.4
109.11224	0.4
112.11780	0.5
114.46284	0.4
127.30170	0.4
161.82831	0.5
279.08780	0.8
306.07581	13.3
318.07596	1.9
320.05533	6.5
334.07135	5.6
335.07861	39.6
350.10214	100.0
359.64188	0.5
448.13898	42.9
465.19427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07615	0.2
55.32502	0.2
65.95048	0.2
68.53439	0.2
82.85326	0.2
128.06244	0.3
171.95622	0.2
262.08658	0.4
278.08118	1.5
279.08997	1.5
292.06030	0.4
294.07645	0.4
305.07108	0.4
305.72195	0.3
306.07605	13.8
308.05374	0.3
318.07495	2.2
320.05505	6.6
334.07040	7.6
335.07858	41.3
350.10214	100.0
448.13892	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63668	0.2
59.35654	0.2
110.06012	0.3
110.08672	0.3
188.20592	0.3
262.08728	0.3
278.08054	1.8
279.08887	1.7
294.07544	0.4
302.07584	0.3
306.07574	13.7
318.07498	2.3
320.05472	7.4
320.09012	0.5
334.07047	8.0
335.07858	42.1
350.10208	100.0
448.13892	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09320	0.6
65.05927	0.6
65.06422	0.6
71.14971	0.5
71.25474	0.6
77.92741	0.6
81.49210	0.6
92.21442	1.1
95.57844	0.6
116.60825	0.7
120.45180	0.6
134.51836	0.7
187.98674	0.7
279.08832	0.8
306.07593	14.9
318.07767	1.6
319.08444	0.8
320.05545	7.8
327.57767	0.7
334.07144	8.6
334.10864	1.2
335.07880	40.9
350.10208	100.0
398.66257	0.7
440.58240	0.6
448.13922	44.7
448.20102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78253	0.7
57.24194	0.6
68.97261	0.8
69.82367	0.7
81.25530	0.6
225.66008	0.8
278.08002	1.1
279.08954	0.9
306.07568	12.9
318.07565	1.7
320.05563	6.7
334.07019	7.9
335.07874	41.6
350.10226	100.0
448.13879	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72749	1.7
69.28182	1.7
139.05423	2.5
147.11649	3.0
165.34064	2.2
279.05301	4.8
294.07513	2.9
320.05524	3.3
322.07248	3.2
326.08118	3.7
328.09576	14.1
331.06445	2.0
334.10684	4.4
335.07761	3.1
340.09659	15.7
341.10077	2.1
342.07678	3.5
342.11295	23.4
350.10226	19.8
354.11224	17.3
356.09113	48.5
359.11658	2.5
370.10706	97.6
371.11581	24.2
372.08444	2.5
386.13934	100.0
400.07990	3.5
414.09662	12.2
415.10309	3.9
430.12927	69.5
448.13818	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78253	0.7
57.24194	0.6
68.97261	0.8
69.82367	0.7
81.25530	0.6
225.66008	0.8
278.08002	1.1
279.08954	0.9
306.07568	12.9
318.07565	1.7
320.05563	6.7
334.07019	7.9
335.07874	41.6
350.10226	100.0
448.13879	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03561	0.4
78.66603	0.4
82.53030	0.4
89.50064	0.4
101.13052	0.4
101.25311	0.4
102.28837	0.4
147.76926	0.4
278.07877	0.6
279.08997	0.8
306.07599	13.4
318.07571	2.3
320.05508	7.8
333.37445	0.5
334.07022	7.9
335.07861	41.9
347.23337	0.6
350.10208	100.0
448.13892	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44561	0.9
58.43943	1.1
70.32694	1.1
70.33064	1.0
72.04510	6.9
72.54707	1.3
72.98071	1.0
90.05556	2.6
97.52196	1.1
107.04973	1.4
135.08080	11.1
146.08130	5.4
149.05954	1.4
176.07092	9.6
190.04945	1.7
192.15378	1.3
204.06497	15.7
209.11821	2.0
218.08202	1.6
229.08646	5.8
235.37325	1.3
242.05777	6.2
245.08076	7.8
257.08078	34.5
292.09717	6.0
306.07504	2.1
307.08328	2.4
308.09305	1.4
318.07745	2.1
320.09222	16.3
321.09933	23.6
322.10757	22.2
334.10767	5.7
336.12277	100.0
358.10815	4.6
360.12625	1.6
372.12396	7.0
374.10364	13.7
376.15131	1.2
386.10556	1.3
387.14410	1.4
388.11777	2.6
389.12418	5.2
404.14801	6.3
430.13141	1.5
430.22220	1.7
448.13898	82.4
448.21048	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06043	0.9
52.90640	0.9
55.55433	0.7
56.28011	1.0
62.53286	0.8
63.80894	0.8
152.05679	1.6
222.18948	1.1
278.08084	4.9
291.09003	2.2
306.07620	14.8
307.08234	2.0
318.07544	2.3
320.05481	21.9
320.09195	8.6
321.09921	2.0
322.10638	2.2
330.04486	1.3
334.07068	3.6
335.07892	17.9
336.12244	1.8
350.10226	100.0
448.14383	1.7
448.21005	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39443	1.1
67.05509	3.0
69.07063	1.5
69.70767	1.1
81.07062	5.9
81.49899	1.2
83.08615	1.3
87.04444	1.3
89.15805	1.2
93.07045	1.3
94.15502	1.3
95.08602	7.2
97.10147	1.5
109.10110	1.7
121.10117	1.8
135.11617	1.4
139.71722	1.2
143.50104	1.3
158.99095	1.4
189.42751	1.3
278.07999	2.3
279.23230	2.7
291.09052	2.1
306.07587	15.0
307.08264	2.7
318.07480	2.6
320.05457	23.4
320.09244	7.2
322.10648	2.3
325.36688	1.7
334.06955	5.2
335.07855	22.9
350.10217	100.0
413.25262	5.8
448.14035	6.0
448.21072	5.9
448.32288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44331	0.3
56.02573	0.3
57.02969	0.4
59.82669	0.4
64.03575	0.4
65.63837	0.4
69.14528	0.4
76.72600	0.4
84.29223	0.4
97.76322	0.5
121.06444	0.5
135.04428	3.6
149.05960	2.5
158.07271	0.7
174.05447	3.3
174.06790	1.0
176.07056	13.9
176.44122	0.4
185.05927	0.5
186.06786	0.5
189.09041	1.7
190.04977	1.0
199.91248	0.5
201.08951	0.7
204.06560	19.7
213.05475	2.4
214.06267	3.4
217.08578	1.8
218.04555	0.6
229.08585	7.9
242.05696	9.0
245.08058	12.3
257.08054	48.9
268.09576	0.6
275.09082	2.4
290.04456	0.5
292.09500	0.9
305.30829	0.5
306.07471	0.6
308.09155	1.1
318.08063	0.5
318.12207	0.8
319.08289	0.6
320.09280	5.7
321.09851	3.6
322.10590	1.1
330.11688	0.6
334.10864	0.6
336.12204	12.6
344.09128	0.6
344.12891	2.5
346.10754	3.5
356.10117	0.7
358.10684	5.3
360.12332	0.9
361.12979	0.7
372.12460	7.0
373.13034	2.0
374.10242	16.2
376.15552	0.9
377.13403	0.9
378.10867	0.6
386.09912	0.7
387.14944	3.2
388.11789	3.7
389.12616	9.5
396.28955	0.5
400.08029	0.6
402.13504	0.8
404.14905	9.6
414.09814	1.1
415.10544	1.0
417.62289	0.6
418.12790	0.6
419.13596	1.0
430.12930	5.6
431.13620	0.9
448.13882	100.0
448.20728	4.0
448.66449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88698	0.5
61.19486	0.6
61.38637	0.7
62.78136	0.6
66.83974	0.7
72.15881	0.7
76.41562	0.6
99.04448	3.1
286.16165	1.7
290.08051	1.0
292.09610	3.6
306.07526	1.1
307.08383	0.9
318.07529	1.2
319.08344	3.0
320.05518	27.4
320.09167	100.0
321.09760	1.2
322.10187	1.2
334.07080	1.2
334.10678	2.9
335.07861	69.8
336.12277	7.7
350.10239	38.6
448.12677	40.1
448.18271	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99648	0.8
69.03429	0.9
70.06592	4.0
85.02967	1.4
86.09689	2.1
97.02937	1.2
99.04440	1.2
112.30521	1.1
114.60562	1.1
116.07104	1.7
147.04404	1.1
149.68211	1.0
157.07587	1.1
166.08696	1.3
168.71587	1.0
177.05435	6.0
195.06551	1.4
202.19731	1.1
211.71120	1.1
221.02983	1.3
221.12897	1.3
249.12541	1.1
269.10327	2.3
286.10663	4.1
296.09149	1.6
300.08585	10.1
312.08597	6.6
313.09430	5.0
314.10217	23.5
314.97256	1.1
324.08609	1.6
328.11749	14.4
340.08218	17.5
341.08859	7.2
342.09753	15.9
352.53067	1.1
356.11252	33.7
357.11978	5.3
373.11588	18.9
383.09909	5.4
388.13947	22.4
400.10062	2.0
415.12305	6.2
416.13043	4.3
448.15948	100.0
464.54321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79727	0.8
60.35053	0.7
60.57898	0.7
69.09782	0.8
121.06530	8.2
130.58820	0.9
136.06129	1.7
146.72865	0.8
188.60490	0.8
212.79359	0.8
224.71759	0.9
275.36191	1.0
278.08011	1.0
286.07855	4.6
290.57370	0.9
292.09613	5.4
305.10394	1.3
320.09070	8.5
321.09924	10.7
332.32599	1.1
333.09796	1.0
333.67850	0.9
334.10495	1.4
336.12256	27.3
348.08801	7.1
348.12265	7.7
358.10730	4.5
361.09631	6.5
362.10083	5.5
376.11761	69.6
399.19284	0.9
407.09427	12.1
416.14893	4.1
418.12662	3.9
448.17371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46929	0.5
92.21492	0.7
97.61237	0.6
121.06462	4.6
129.89165	0.6
136.06184	6.1
144.08101	1.0
172.93962	0.6
286.07892	3.0
292.09705	3.2
304.09570	0.9
307.08154	0.7
320.09140	8.3
321.09921	7.8
332.08820	0.7
333.09940	0.9
334.10577	1.3
336.12305	17.9
344.09201	0.8
346.06946	3.9
348.09024	7.8
348.11920	7.4
358.10779	4.3
361.09247	3.9
362.10208	3.1
376.11786	75.6
388.15680	0.8
407.09525	1.2
416.15030	2.5
418.12891	5.6
448.17422	100.0
448.29834	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78135	0.2
56.78439	0.3
62.97287	0.3
79.74028	0.2
82.51444	0.3
87.63387	0.3
89.94640	0.3
148.17921	0.3
168.60583	0.3
290.08011	0.4
292.09637	2.6
318.07608	1.1
320.09192	100.0
321.09921	0.5
334.10852	0.5
336.12198	0.4
448.17618	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12585	0.3
54.96321	0.5
56.99588	0.4
57.33456	0.5
58.73398	0.5
63.45909	0.4
65.57887	0.4
71.29618	0.4
73.67976	0.5
124.42774	0.5
127.50462	0.4
136.06226	0.6
138.77780	0.5
147.13063	0.4
149.55515	0.5
162.36058	0.5
239.95192	0.5
247.64499	0.5
277.01089	0.6
285.07590	12.4
286.07892	31.0
286.57733	0.5
292.09671	6.1
306.07510	0.7
318.07532	0.6
320.09167	100.0
321.09909	9.4
336.12299	54.1
418.12354	0.6
448.16440	25.3
448.21811	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
84.57516	0.8
121.06498	28.0
124.79726	0.8
125.16853	0.8
138.05478	14.7
168.02798	0.8
208.09715	0.9
232.16975	1.1
271.86386	0.9
285.07581	11.6
286.07895	32.5
290.07977	5.5
302.08264	1.7
304.06033	4.6
318.07471	7.4
319.08362	40.8
320.09491	1.1
321.10007	1.7
328.19049	4.4
334.10681	91.8
336.12369	3.2
344.12808	1.5
356.12579	1.3
358.10861	2.0
372.12283	5.6
373.13095	7.5
388.15408	19.7
402.16757	1.1
430.16537	8.7
437.58658	0.9
448.17551	100.0
448.24414	4.3
448.30627	13.0
462.32755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12585	0.3
54.96321	0.5
56.99588	0.4
57.33456	0.5
58.73398	0.5
63.45909	0.4
65.57887	0.4
71.29618	0.4
73.67976	0.5
124.42774	0.5
127.50462	0.4
136.06226	0.6
138.77780	0.5
147.13063	0.4
149.55515	0.5
162.36058	0.5
239.95192	0.5
247.64499	0.5
277.01089	0.6
285.07590	12.4
286.07892	31.0
286.57733	0.5
292.09671	6.1
306.07510	0.7
318.07532	0.6
320.09167	100.0
321.09909	9.4
336.12299	54.1
418.12354	0.6
448.16440	25.3
448.21811	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43051	0.4
77.31390	0.4
78.29051	0.4
125.12743	0.4
136.06190	0.8
178.32709	0.5
190.04933	0.5
286.07700	0.6
292.09637	7.1
302.03555	0.4
306.07587	0.9
307.08374	0.8
318.07809	0.8
320.09152	100.0
321.09949	11.1
322.10217	0.8
334.10971	0.8
336.12314	48.4
337.12704	0.5
350.10052	0.9
370.10864	0.8
374.09937	0.6
388.11703	1.8
402.16724	0.5
404.14694	1.9
418.12955	0.6
448.16757	31.4
448.22095	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87503	0.2
53.54659	0.2
77.54200	0.2
101.88690	0.2
104.19725	0.2
116.16573	0.2
124.61501	0.2
136.06190	0.3
173.29840	0.2
286.08112	1.9
290.08017	0.3
292.09641	2.9
318.07504	0.4
320.09171	100.0
336.12350	1.0
448.17557	36.9
463.83804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99112	0.2
54.05684	0.3
56.37500	0.2
59.23949	0.2
69.68513	0.3
71.88567	0.3
90.87081	0.3
112.17810	0.3
118.30266	0.3
121.30396	0.3
176.07037	0.3
190.08467	0.3
210.72981	0.4
215.06935	0.4
220.80078	0.4
238.19272	0.4
291.08780	0.3
292.09708	3.5
318.07581	1.3
319.08414	1.4
320.09149	100.0
334.10565	1.2
336.12402	0.7
364.08005	0.6
444.03302	0.4
448.17789	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67844	0.2
55.61932	0.2
56.40070	0.2
56.56297	0.2
56.77625	0.2
60.01189	0.2
61.96344	0.2
62.70773	0.2
92.34527	0.2
105.03224	0.2
138.05473	0.4
184.70236	0.3
223.81099	0.2
285.07501	1.2
286.07877	1.9
292.09747	3.9
318.07828	0.3
319.08295	0.4
320.09174	100.0
321.09970	2.2
322.09735	1.0
334.10764	1.0
336.12201	5.5
448.17575	37.8
450.26355	0.2
458.67130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48145	0.3
57.31770	0.3
71.66197	0.3
76.04826	0.3
83.32788	0.3
105.40585	0.4
108.69551	0.3
111.23788	0.3
112.62386	0.3
121.77528	0.3
176.07132	0.4
230.84079	0.3
269.93835	0.4
290.08270	0.5
292.09653	3.4
318.07480	0.6
320.09158	100.0
336.12149	1.9
426.87244	0.4
448.17496	37.6
453.16989	0.3
454.94119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46296	0.1
76.93335	0.2
86.23640	0.2
136.06175	0.3
145.51764	0.2
152.04419	0.2
176.06984	0.3
209.15509	0.2
235.50339	0.2
285.07642	3.0
286.04883	0.3
286.07925	7.7
290.08014	0.3
292.09677	3.7
293.34619	0.2
318.07678	0.8
320.09186	100.0
321.09946	0.3
336.12292	2.1
402.16275	0.2
448.17572	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05497	0.2
74.50040	0.3
82.36977	0.3
99.04427	1.3
112.14150	0.3
132.83730	0.3
169.07579	0.3
290.08151	0.7
291.08871	1.4
292.09610	4.1
304.24835	0.4
305.07025	0.4
313.09348	0.4
318.07678	1.4
319.08423	1.3
320.09164	100.0
321.09283	0.5
323.68991	0.3
334.10577	2.6
336.12344	5.3
341.33850	0.4
350.10190	0.5
448.17532	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
69.03435	5.4
69.44570	1.2
70.01828	1.2
72.93930	1.3
81.03426	12.5
85.02905	15.5
86.06062	1.9
97.02888	5.9
99.04460	100.0
103.03939	5.7
107.04960	29.0
109.02895	2.1
116.25971	1.5
117.05503	7.9
117.62348	1.5
121.06531	2.0
123.04418	5.8
127.03913	2.7
139.03902	15.8
143.04919	4.8
145.04967	2.1
153.05409	1.5
161.05971	6.2
163.03897	3.1
171.06514	24.8
177.05548	2.9
178.08632	6.6
181.04956	2.1
201.07663	2.3
213.07565	2.7
233.07976	2.4
237.07407	4.7
252.19987	1.9
255.10168	21.3
257.11993	1.6
259.67874	1.4
261.07581	8.5
279.08676	6.0
286.14355	69.9
297.09821	2.6
313.69916	1.6
352.84085	1.5
397.94504	1.4
448.14279	2.5
448.19705	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88506	1.0
53.03955	2.7
53.89723	1.0
56.05039	6.9
58.06603	2.2
69.95325	1.0
71.05001	1.6
74.06078	6.3
81.03429	7.6
97.02889	1.5
99.04465	16.7
102.05550	19.8
107.04955	2.4
116.07112	1.7
124.03948	1.2
127.03931	1.4
137.06001	4.4
141.05432	1.4
151.07578	1.3
152.07031	2.4
153.05452	5.3
166.08626	9.5
179.07056	2.0
180.10225	2.1
181.07388	1.7
182.08185	2.7
184.09700	5.2
188.09203	5.4
190.08771	2.4
196.09700	1.3
198.63498	1.2
208.09669	11.5
212.09137	8.8
226.10715	2.8
237.47495	1.2
238.10349	1.5
250.10744	5.1
254.10292	5.1
255.10118	1.5
256.11728	2.2
259.11914	4.1
268.09354	1.8
268.11829	6.1
286.10489	46.7
286.13034	8.8
304.13919	36.5
314.12253	2.5
332.13446	7.0
350.14456	17.5
402.17572	11.5
430.17270	9.2
448.18411	100.0
468.60922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88506	1.0
53.03955	2.7
53.89723	1.0
56.05039	6.9
58.06603	2.2
69.95325	1.0
71.05001	1.6
74.06078	6.3
81.03429	7.6
97.02889	1.5
99.04465	16.7
102.05550	19.8
107.04955	2.4
116.07112	1.7
124.03948	1.2
127.03931	1.4
137.06001	4.4
141.05432	1.4
151.07578	1.3
152.07031	2.4
153.05452	5.3
166.08626	9.5
179.07056	2.0
180.10225	2.1
181.07388	1.7
182.08185	2.7
184.09700	5.2
188.09203	5.4
190.08771	2.4
196.09700	1.3
198.63498	1.2
208.09669	11.5
212.09137	8.8
226.10715	2.8
237.47495	1.2
238.10349	1.5
250.10744	5.1
254.10292	5.1
255.10118	1.5
256.11728	2.2
259.11914	4.1
268.09354	1.8
268.11829	6.1
286.10489	46.7
286.13034	8.8
304.13919	36.5
314.12253	2.5
332.13446	7.0
350.14456	17.5
402.17572	11.5
430.17270	9.2
448.18411	100.0
468.60922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88506	1.0
53.03955	2.7
53.89723	1.0
56.05039	6.9
58.06603	2.2
69.95325	1.0
71.05001	1.6
74.06078	6.3
81.03429	7.6
97.02889	1.5
99.04465	16.7
102.05550	19.8
107.04955	2.4
116.07112	1.7
124.03948	1.2
127.03931	1.4
137.06001	4.4
141.05432	1.4
151.07578	1.3
152.07031	2.4
153.05452	5.3
166.08626	9.5
179.07056	2.0
180.10225	2.1
181.07388	1.7
182.08185	2.7
184.09700	5.2
188.09203	5.4
190.08771	2.4
196.09700	1.3
198.63498	1.2
208.09669	11.5
212.09137	8.8
226.10715	2.8
237.47495	1.2
238.10349	1.5
250.10744	5.1
254.10292	5.1
255.10118	1.5
256.11728	2.2
259.11914	4.1
268.09354	1.8
268.11829	6.1
286.10489	46.7
286.13034	8.8
304.13919	36.5
314.12253	2.5
332.13446	7.0
350.14456	17.5
402.17572	11.5
430.17270	9.2
448.18411	100.0
468.60922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38915	1.2
55.01863	1.5
57.03439	2.0
61.02932	2.5
62.43319	1.5
69.03432	9.8
70.52054	1.6
73.02921	12.0
75.29832	1.5
81.03425	6.3
85.02915	22.2
86.06046	1.4
91.05457	2.7
97.02895	9.6
103.03940	2.6
106.06563	100.0
107.04955	29.9
108.08133	3.1
115.03910	2.5
118.06546	64.5
120.08088	3.3
121.06548	2.0
125.18287	1.3
127.03935	2.5
128.89471	1.6
130.06534	38.5
132.08128	12.7
134.06009	3.5
137.05974	3.0
142.08640	27.5
143.04982	3.8
144.08141	6.7
144.10027	1.4
145.06490	3.1
146.06004	1.9
148.07603	14.5
160.07574	7.6
163.07516	2.0
170.08133	1.5
172.07581	3.7
175.07553	9.6
176.07065	2.0
178.08635	2.8
186.09145	5.6
204.10269	6.2
207.07487	1.7
209.09697	2.4
232.09772	13.9
233.08104	1.9
237.09131	3.2
250.10773	29.6
258.30710	1.4
268.11816	31.0
269.11707	16.6
274.24094	1.5
286.14294	9.9
293.56619	1.6
298.09659	1.8
430.17029	7.2
448.19586	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18827	0.8
52.86525	0.7
54.48959	0.8
59.06693	0.7
73.23577	0.8
74.54859	1.0
77.98260	1.1
87.86827	0.9
105.03427	1.0
107.04957	9.4
111.05545	4.0
116.81197	0.9
126.06604	1.3
130.06589	1.0
132.04480	6.6
134.06032	1.4
137.06010	1.3
145.06398	1.2
168.08823	1.6
175.07506	1.5
202.09775	3.9
216.11366	2.0
230.09286	6.0
259.11880	97.2
269.11578	3.1
277.12988	1.8
284.11374	12.2
301.14056	3.5
302.12463	38.0
356.55716	1.0
362.18387	1.4
406.17236	14.9
448.19403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87282	0.7
62.18565	0.7
69.03436	3.7
69.47970	0.8
73.07602	0.6
78.90377	0.7
81.03436	1.1
85.02414	0.9
85.02888	6.4
87.04436	1.0
89.71855	0.9
97.02898	1.8
99.04459	1.5
107.04958	64.2
121.06485	1.5
127.03955	1.2
132.04475	1.0
134.06129	0.9
137.05984	11.4
142.08644	3.2
143.04903	8.4
143.55711	0.9
145.06502	8.5
151.07552	3.2
163.07582	5.0
175.07539	22.4
178.08656	1.9
202.09785	1.0
209.09616	8.2
209.37015	0.9
219.08054	0.9
237.09052	14.1
254.09364	1.3
259.11893	24.4
269.11700	38.3
284.11401	1.7
286.10825	3.3
286.14401	11.0
290.91739	0.8
301.13959	1.1
302.12418	8.4
406.17227	3.7
448.19656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1963
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
52.79089	1.1
57.03439	1.2
58.06598	2.1
69.03445	1.6
73.02945	1.3
75.65786	1.2
81.03415	2.8
85.02921	7.0
90.60623	1.1
99.04454	1.5
107.04955	67.0
115.05466	1.5
121.02823	1.6
121.06478	9.2
131.04967	1.9
137.06003	10.1
143.04927	16.5
143.96368	1.1
145.06516	7.4
166.08661	1.6
175.07518	8.4
177.05479	2.3
178.08661	7.7
184.70964	1.4
205.08507	1.6
209.09679	4.9
216.21143	1.4
220.89865	1.1
222.64020	1.2
233.08081	1.4
237.09146	10.6
269.11710	45.5
284.13052	1.4
286.11267	2.6
286.14377	38.2
298.14529	1.6
430.16956	1.4
448.19775	100.0
449.58557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1963
Annotation	Naamidine G
Peak:m/z	Relative Intensity
52.79089	1.1
57.03439	1.2
58.06598	2.1
69.03445	1.6
73.02945	1.3
75.65786	1.2
81.03415	2.8
85.02921	7.0
90.60623	1.1
99.04454	1.5
107.04955	67.0
115.05466	1.5
121.02823	1.6
121.06478	9.2
131.04967	1.9
137.06003	10.1
143.04927	16.5
143.96368	1.1
145.06516	7.4
166.08661	1.6
175.07518	8.4
177.05479	2.3
178.08661	7.7
184.70964	1.4
205.08507	1.6
209.09679	4.9
216.21143	1.4
220.89865	1.1
222.64020	1.2
233.08081	1.4
237.09146	10.6
269.11710	45.5
284.13052	1.4
286.11267	2.6
286.14377	38.2
298.14529	1.6
430.16956	1.4
448.19775	100.0
449.58557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60986	0.7
67.10384	0.7
69.03427	3.3
70.01836	0.7
78.73671	0.8
81.03420	1.4
81.04514	0.8
85.02924	3.8
86.06100	1.0
91.45311	0.7
96.55019	0.7
97.02946	0.8
99.04483	3.1
102.58641	0.7
107.04958	35.1
107.05669	1.4
119.04999	3.8
121.06519	4.3
122.07157	9.5
123.04411	6.3
127.03921	0.9
133.06523	0.8
136.07587	5.5
140.08220	1.6
143.04932	8.3
145.06551	5.0
147.04413	39.0
152.07143	0.9
156.06609	1.1
157.06526	0.8
161.05969	9.3
166.08749	1.1
170.08199	0.9
178.08640	10.9
180.06577	1.1
192.10225	1.0
237.09148	3.1
255.10143	27.3
255.12645	1.1
286.14368	100.0
320.83594	0.8
342.17883	0.8
394.15573	1.0
430.17075	0.9
448.19769	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18827	0.8
52.86525	0.7
54.48959	0.8
59.06693	0.7
73.23577	0.8
74.54859	1.0
77.98260	1.1
87.86827	0.9
105.03427	1.0
107.04957	9.4
111.05545	4.0
116.81197	0.9
126.06604	1.3
130.06589	1.0
132.04480	6.6
134.06032	1.4
137.06010	1.3
145.06398	1.2
168.08823	1.6
175.07506	1.5
202.09775	3.9
216.11366	2.0
230.09286	6.0
259.11880	97.2
269.11578	3.1
277.12988	1.8
284.11374	12.2
301.14056	3.5
302.12463	38.0
356.55716	1.0
362.18387	1.4
406.17236	14.9
448.19403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1965
Annotation	Naamidine G
Peak:m/z	Relative Intensity
54.65617	0.4
57.03426	0.4
61.02917	0.4
69.03420	2.3
75.72415	0.4
77.65267	0.5
85.02911	6.1
87.04449	0.5
95.04958	0.6
97.02894	2.2
107.04955	100.0
115.05459	1.9
119.04904	0.7
121.06480	3.2
123.04465	1.8
127.03876	0.8
131.04927	2.9
133.06487	0.6
135.04524	0.5
137.05968	11.5
143.04932	9.0
145.06487	12.2
149.06024	0.7
151.07562	3.0
160.05219	1.7
161.05998	3.9
163.07539	3.8
175.07529	28.8
178.08626	2.1
181.06334	0.6
181.10158	0.6
184.81355	0.4
191.08612	0.9
209.09608	10.2
211.07799	0.5
219.08017	1.0
237.09081	18.2
237.11450	0.7
240.07787	0.5
243.10298	0.6
254.09344	0.8
255.10147	4.4
269.11691	37.9
276.93127	0.5
286.07553	0.9
286.10803	9.8
286.14426	25.1
358.12885	0.8
431.84912	0.5
448.19754	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	0.6
85.02910	3.0
92.21487	0.6
96.51765	0.5
97.02928	0.7
107.04958	97.9
115.05460	1.2
117.07016	0.6
119.04974	0.7
121.06542	1.3
121.52164	0.7
127.03976	0.9
131.04919	2.4
137.05974	15.3
143.04919	10.4
145.06493	12.1
151.07574	3.7
160.05206	1.2
161.05984	0.7
162.06812	0.7
163.07533	4.4
175.07541	26.6
178.08722	2.6
181.10156	0.6
191.08653	0.7
209.09602	11.9
211.58795	0.6
219.08189	1.4
237.09076	16.3
238.09834	0.7
254.09357	1.0
269.11719	41.7
286.14377	19.4
394.98483	0.6
448.19684	100.0
470.14621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1962
Annotation	Naamidine G
Peak:m/z	Relative Intensity
58.53677	0.9
69.03442	1.4
71.38567	1.2
85.02909	2.5
90.08163	1.1
95.61208	1.0
96.47776	1.3
98.96407	1.0
107.04959	98.5
121.04249	1.1
121.06501	1.5
133.29900	1.3
137.05975	12.2
143.04895	11.7
145.06471	10.8
151.07506	2.2
160.05186	2.3
163.07581	4.5
175.07550	31.9
180.27145	1.2
191.08574	1.2
209.09636	10.6
219.08046	1.8
237.09096	20.2
254.09471	2.4
256.67328	1.2
259.11896	14.9
269.11707	41.3
286.14325	14.0
302.12494	8.1
406.17194	1.9
448.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	0.4
69.03394	0.7
83.49721	0.4
85.02837	1.8
86.09643	0.4
97.02831	1.8
99.04411	0.7
107.04951	34.9
109.02844	0.6
115.05350	0.6
121.06451	2.2
122.07082	2.2
123.03712	0.4
123.04417	5.8
137.05991	0.5
143.03848	0.6
143.04897	8.5
145.06514	5.5
147.04366	0.9
149.05923	0.7
161.05960	8.4
166.08553	0.6
177.05515	0.6
178.08600	10.2
220.34654	0.4
237.09070	2.1
251.09142	0.5
255.10133	23.6
257.11703	0.8
286.14349	100.0
448.19669	85.3
457.70181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1959
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
58.06586	0.9
69.03412	0.7
70.45393	0.7
71.04993	0.7
85.02905	1.8
97.02884	1.8
99.04468	4.1
107.04953	33.4
119.04964	0.9
121.06529	4.3
122.07126	3.0
123.04406	6.1
127.03986	1.0
134.06036	1.3
138.05511	0.8
143.04933	7.6
145.06505	3.9
147.04399	20.1
149.05925	0.7
161.05988	7.8
165.05496	0.9
178.08572	10.9
180.06471	0.9
237.09102	1.6
255.10127	25.8
255.12617	1.0
257.11835	1.1
286.14365	100.0
309.09711	0.9
330.22610	0.8
448.19720	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60986	0.7
67.10384	0.7
69.03427	3.3
70.01836	0.7
78.73671	0.8
81.03420	1.4
81.04514	0.8
85.02924	3.8
86.06100	1.0
91.45311	0.7
96.55019	0.7
97.02946	0.8
99.04483	3.1
102.58641	0.7
107.04958	35.1
107.05669	1.4
119.04999	3.8
121.06519	4.3
122.07157	9.5
123.04411	6.3
127.03921	0.9
133.06523	0.8
136.07587	5.5
140.08220	1.6
143.04932	8.3
145.06551	5.0
147.04413	39.0
152.07143	0.9
156.06609	1.1
157.06526	0.8
161.05969	9.3
166.08749	1.1
170.08199	0.9
178.08640	10.9
180.06577	1.1
192.10225	1.0
237.09148	3.1
255.10143	27.3
255.12645	1.1
286.14368	100.0
320.83594	0.8
342.17883	0.8
394.15573	1.0
430.17075	0.9
448.19769	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51196	0.3
57.03426	0.3
58.06581	0.6
67.68081	0.3
69.03391	0.4
70.06572	0.4
72.07816	0.3
72.08155	5.8
73.02891	0.4
74.63857	0.3
84.08131	0.4
92.21499	0.5
97.02906	0.6
98.06017	0.5
99.04444	0.8
106.06535	1.7
107.04965	0.5
112.11234	3.1
118.06522	2.2
121.06466	0.6
127.03897	0.5
129.13853	1.7
130.06512	3.5
132.08057	1.6
137.02333	52.3
140.07030	0.4
144.08063	0.4
146.16510	0.8
160.07664	0.4
163.03865	1.6
167.03383	24.3
168.06577	0.4
188.09161	0.7
193.09721	1.7
194.08119	100.0
199.80777	0.4
224.09267	0.6
232.09584	0.5
238.10724	10.9
250.10733	2.1
255.13380	0.4
265.15518	2.4
268.11765	1.8
274.10764	0.4
275.77145	0.3
282.18082	1.3
284.56308	0.4
295.16464	4.7
312.19107	4.8
363.79175	0.4
385.34631	0.4
407.56329	0.4
430.17352	1.7
448.20804	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
56.05039	0.4
58.22865	0.3
72.95782	0.3
74.06081	0.7
81.03431	0.6
85.02888	0.4
91.05490	4.2
95.04955	1.9
99.04471	2.9
102.05550	2.5
107.02856	0.3
114.53697	0.3
119.04946	4.7
123.04423	2.4
136.05144	0.4
137.05983	1.2
151.07539	100.0
152.07893	0.4
153.05424	0.5
164.06989	0.3
166.08611	0.7
168.10182	26.6
170.08113	0.4
182.08142	0.4
183.06514	5.8
188.08960	0.3
208.09636	1.2
212.09123	1.2
250.10735	1.1
254.10097	0.4
268.12054	0.9
286.10590	1.4
286.12927	1.7
304.13852	3.9
305.95938	0.3
332.13181	0.7
345.11670	2.1
350.14493	1.3
400.33130	0.3
402.17557	2.0
412.71841	0.3
430.16891	0.3
448.18195	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2479
Annotation	Iso-precytochalasin
Peak:m/z	Relative Intensity
66.77901	0.9
81.07095	1.8
105.07056	1.8
107.31085	1.1
121.06489	1.2
135.11732	1.4
149.91203	1.1
200.58701	1.0
293.68393	1.1
303.12308	1.1
306.11237	6.4
306.33008	1.2
316.09796	6.4
317.10455	15.2
320.09140	15.2
322.47186	1.1
330.11237	5.7
334.10635	13.1
335.11517	19.4
348.12241	15.6
355.44614	1.1
362.13855	2.4
380.50644	1.2
416.22318	7.6
418.20364	12.8
432.21643	4.9
433.22556	1.9
448.24805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37294	0.2
57.37864	0.2
58.06609	7.4
60.17178	0.3
63.80364	0.3
72.08159	10.4
75.56373	0.3
77.52190	0.3
81.03423	0.3
84.08156	0.5
88.07642	2.3
90.09194	23.0
93.07039	1.1
95.04943	0.4
99.04462	6.0
102.09165	2.6
107.04953	2.3
107.08599	0.6
117.05482	0.4
130.12277	0.3
135.08055	50.9
155.37419	0.3
161.09660	0.6
165.09189	0.3
169.26929	0.3
171.22295	0.3
173.09581	3.3
178.37706	0.3
178.84372	0.3
191.07327	0.6
191.10684	3.2
192.08011	0.3
200.88103	0.3
209.11726	13.7
220.07530	0.6
232.07646	0.5
250.08557	0.5
261.09747	1.5
278.08099	2.1
279.08649	0.4
292.09772	0.6
294.11234	0.6
306.11267	0.7
320.09360	2.3
334.10706	1.3
335.11472	4.1
336.12289	1.4
337.13272	0.4
350.10071	0.6
350.13895	8.3
404.24084	0.7
448.17172	5.3
448.26938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37294	0.2
57.37864	0.2
58.06609	7.4
60.17178	0.3
63.80364	0.3
72.08159	10.4
75.56373	0.3
77.52190	0.3
81.03423	0.3
84.08156	0.5
88.07642	2.3
90.09194	23.0
93.07039	1.1
95.04943	0.4
99.04462	6.0
102.09165	2.6
107.04953	2.3
107.08599	0.6
117.05482	0.4
130.12277	0.3
135.08055	50.9
155.37419	0.3
161.09660	0.6
165.09189	0.3
169.26929	0.3
171.22295	0.3
173.09581	3.3
178.37706	0.3
178.84372	0.3
191.07327	0.6
191.10684	3.2
192.08011	0.3
200.88103	0.3
209.11726	13.7
220.07530	0.6
232.07646	0.5
250.08557	0.5
261.09747	1.5
278.08099	2.1
279.08649	0.4
292.09772	0.6
294.11234	0.6
306.11267	0.7
320.09360	2.3
334.10706	1.3
335.11472	4.1
336.12289	1.4
337.13272	0.4
350.10071	0.6
350.13895	8.3
404.24084	0.7
448.17172	5.3
448.26938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84895	1.7
51.79127	1.7
53.95447	2.3
55.05507	2.8
61.89220	1.9
67.05507	9.1
69.07066	4.5
79.05477	3.9
81.07065	16.9
91.05492	24.1
93.07050	16.1
95.08610	11.4
105.07048	17.9
107.08601	16.0
109.10147	10.3
117.07001	5.5
119.08562	24.9
120.08108	30.8
121.06562	2.8
121.10110	9.2
123.11716	2.7
129.06975	2.6
131.08546	5.0
133.06479	3.6
133.10165	4.0
135.08107	2.5
135.11685	12.6
135.47939	2.2
138.42197	2.0
143.08517	3.6
144.08067	3.2
145.10114	12.9
154.96439	2.6
155.06650	2.4
157.10153	10.3
159.11629	4.3
160.07623	2.6
162.43901	2.5
163.11162	4.9
169.10057	2.7
171.11719	9.4
172.07527	9.5
173.13260	3.3
181.10175	2.6
183.11635	2.4
185.09743	3.4
187.09909	2.8
207.11661	3.2
209.13237	4.1
221.13213	5.7
223.14758	2.7
252.13757	3.9
264.13760	24.6
278.15506	5.0
283.20575	3.7
292.16769	2.7
402.27917	11.9
412.26605	8.0
430.27417	100.0
430.33328	3.5
448.28329	5.3
450.17471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64312	0.2
52.44029	0.3
62.32466	0.2
64.10448	0.3
71.35406	0.3
99.04493	0.3
99.87609	0.3
104.65586	0.3
121.06494	2.7
136.06181	4.3
164.38330	0.3
175.13724	0.3
176.10802	0.5
190.12300	0.7
285.07556	1.3
286.07822	3.9
320.05679	1.1
320.09146	0.6
321.09952	1.6
335.07990	2.5
336.12274	6.5
350.00598	0.3
350.10251	1.7
368.25867	1.7
386.26782	1.8
404.27899	0.5
448.13861	2.5
448.20624	2.7
448.30566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64312	0.2
52.44029	0.3
62.32466	0.2
64.10448	0.3
71.35406	0.3
99.04493	0.3
99.87609	0.3
104.65586	0.3
121.06494	2.7
136.06181	4.3
164.38330	0.3
175.13724	0.3
176.10802	0.5
190.12300	0.7
285.07556	1.3
286.07822	3.9
320.05679	1.1
320.09146	0.6
321.09952	1.6
335.07990	2.5
336.12274	6.5
350.00598	0.3
350.10251	1.7
368.25867	1.7
386.26782	1.8
404.27899	0.5
448.13861	2.5
448.20624	2.7
448.30566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40099	0.4
55.05508	1.0
56.05037	1.0
57.07085	0.8
58.06603	0.8
60.04533	17.4
67.05516	4.1
68.05034	5.9
69.03437	9.0
69.07070	2.8
69.36330	0.6
70.06596	0.7
71.08616	0.5
71.56416	0.5
72.04526	7.6
74.02449	0.9
74.06080	3.2
75.07968	0.5
79.05487	0.8
81.07058	4.0
82.06585	2.4
83.08636	2.7
84.79053	0.5
86.06075	10.5
87.04472	25.6
88.03999	16.0
88.07604	1.0
91.05494	2.4
93.07054	2.1
95.08611	3.9
97.06527	0.6
97.10210	1.1
100.07635	3.4
102.05547	1.4
104.07119	6.8
105.07057	0.6
107.08621	0.7
109.10184	1.3
110.06052	1.0
114.05509	5.8
116.03472	2.9
118.05012	36.2
119.08611	0.8
121.10156	1.0
124.07568	0.7
128.07083	9.9
132.06528	4.1
133.10112	0.9
135.11711	0.9
146.08112	6.3
150.07616	4.7
156.06610	0.8
158.08209	0.6
162.79489	0.6
163.08846	0.6
174.07591	2.5
192.08661	9.7
262.25226	0.8
280.26346	3.1
298.27411	2.5
316.28345	0.8
412.82382	0.6
430.31647	4.9
448.32681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65477	0.6
55.05505	1.6
56.05041	1.1
57.07056	0.8
60.04254	0.9
60.04535	15.7
67.05505	1.7
68.05019	6.7
69.03444	8.2
69.07056	3.7
70.06600	0.8
71.04970	0.8
71.07157	0.9
72.04521	7.6
72.31187	0.7
74.02437	1.0
74.06076	3.7
79.05490	1.4
81.07041	3.7
82.06591	1.3
83.08592	1.0
83.88396	0.9
86.06075	6.6
87.04463	23.6
88.03989	13.2
95.08606	4.3
97.10210	0.8
100.07632	3.5
104.07098	6.7
105.07011	1.3
107.08590	1.3
107.96301	0.7
109.10146	1.8
110.06083	1.1
111.08103	1.0
114.05508	4.7
116.03436	1.3
118.05009	36.3
119.08577	1.1
121.06474	0.8
121.10159	3.1
128.07057	6.8
132.06580	3.6
144.06578	1.3
146.08115	4.4
147.01599	0.8
147.04335	0.9
148.09631	1.2
150.07671	4.4
156.06572	1.4
174.07585	1.8
192.08650	6.2
280.26416	0.9
298.27139	1.5
348.28638	0.9
430.31790	1.9
448.32675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37990	5.2
55.05519	9.6
57.07076	11.8
58.26216	5.4
69.07060	29.3
71.08638	8.1
79.11411	6.1
83.08632	27.3
97.10162	29.4
98.10825	6.6
110.06042	29.2
124.07578	36.6
132.08385	6.2
170.08102	100.0
182.08076	8.6
198.09555	7.2
249.56471	7.9
448.37921	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
57.05062	0.2
58.19370	0.2
61.02934	5.1
62.86165	0.2
67.43301	0.3
72.80133	0.3
73.02911	1.6
85.02918	3.9
91.03979	2.5
94.12253	0.3
97.02904	2.7
121.02917	0.4
127.03915	0.5
130.09012	0.3
130.22929	0.3
165.01869	0.6
203.90701	0.4
213.05324	0.3
229.07182	0.4
287.05490	100.0
337.78067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
52.06514	0.2
61.02932	5.6
69.03419	0.4
73.02910	2.0
76.87610	0.3
81.03404	0.3
85.02912	5.4
88.56485	0.3
91.03959	2.7
97.02878	1.8
109.02892	0.4
113.35368	0.3
127.03954	0.4
145.04922	0.6
153.01843	0.5
178.55348	0.3
208.28308	0.3
211.45447	0.3
287.05499	100.0
336.08063	0.5
350.10745	0.4
351.10516	3.0
352.15228	0.5
449.14600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66154	1.4
52.03980	1.5
56.85248	1.3
80.66794	1.7
93.02673	1.7
116.96564	1.9
119.01914	14.3
121.02863	2.1
137.02953	3.3
145.03436	7.5
169.03473	34.0
171.05016	2.2
173.03015	1.7
179.01797	2.2
185.02919	10.0
187.04507	47.2
195.05081	3.3
197.02982	8.3
197.10426	2.1
203.04010	3.1
205.05568	8.3
213.06030	2.3
215.03986	16.6
229.05579	28.4
231.03218	2.6
231.30289	1.8
239.04077	3.0
247.04340	3.0
247.05171	2.7
247.06586	16.3
257.05173	2.9
265.05557	6.8
267.07111	3.5
275.06143	100.0
277.51331	1.8
283.06656	27.5
293.07309	19.4
301.07715	23.4
311.05936	3.0
329.07230	14.9
389.09338	32.6
407.10297	48.1
408.10501	2.3
449.10599	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66154	1.4
52.03980	1.5
56.85248	1.3
80.66794	1.7
93.02673	1.7
116.96564	1.9
119.01914	14.3
121.02863	2.1
137.02953	3.3
145.03436	7.5
169.03473	34.0
171.05016	2.2
173.03015	1.7
179.01797	2.2
185.02919	10.0
187.04507	47.2
195.05081	3.3
197.02982	8.3
197.10426	2.1
203.04010	3.1
205.05568	8.3
213.06030	2.3
215.03986	16.6
229.05579	28.4
231.03218	2.6
231.30289	1.8
239.04077	3.0
247.04340	3.0
247.05171	2.7
247.06586	16.3
257.05173	2.9
265.05557	6.8
267.07111	3.5
275.06143	100.0
277.51331	1.8
283.06656	27.5
293.07309	19.4
301.07715	23.4
311.05936	3.0
329.07230	14.9
389.09338	32.6
407.10297	48.1
408.10501	2.3
449.10599	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61808	0.6
64.89735	0.6
81.53519	0.6
84.08124	0.6
89.07166	0.9
98.88097	0.7
134.06795	0.8
137.73254	0.7
150.96155	0.7
157.03535	1.1
175.05753	6.4
189.79665	0.8
193.05574	1.1
202.03090	0.7
211.06596	1.1
223.44536	0.7
235.06615	3.5
247.06480	1.3
271.06412	0.8
280.01694	0.7
286.10843	1.2
287.11014	6.1
297.05746	1.4
337.10736	18.7
351.52405	1.0
351.57111	0.8
384.55914	0.8
402.49475	0.8
428.77264	0.8
435.40985	0.8
449.12555	100.0
474.31921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
56.80930	1.8
69.03432	3.3
70.90750	1.8
81.03412	9.1
85.02923	2.8
86.54790	2.3
91.05471	5.0
92.21559	2.0
97.02911	2.5
99.04448	43.6
109.02881	3.4
119.04931	28.1
133.27414	2.2
145.06592	2.4
147.04416	25.0
157.03949	3.3
161.06091	2.8
167.07059	5.4
171.06548	2.2
173.05997	4.9
175.03893	85.3
192.04266	2.7
193.08621	4.4
198.06764	2.5
199.07565	4.3
201.05470	3.4
203.06976	2.8
205.08609	3.3
207.06522	100.0
208.59097	2.1
211.07446	2.5
219.06551	16.9
221.08067	8.6
231.06534	49.7
233.08057	4.9
245.08060	4.9
247.05917	5.2
259.09686	4.3
273.07556	4.3
287.09207	8.1
297.07507	4.7
303.08630	4.6
306.32642	2.5
307.38162	2.4
315.08533	12.8
321.09753	3.0
322.10541	2.7
333.09467	17.3
336.12250	14.3
351.10712	29.2
360.48859	2.5
449.16443	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1629
Annotation	Asp Trp Glu
Peak:m/z	Relative Intensity
52.70168	0.4
54.06451	0.4
58.34303	0.4
74.98976	0.5
86.53419	0.5
95.61152	0.5
107.04927	1.0
128.63321	0.5
140.23363	0.5
140.24487	0.5
143.01939	1.0
154.49866	0.5
161.02829	0.8
185.06497	0.9
256.10468	0.7
275.09534	0.5
287.10931	5.0
287.14548	1.0
305.10837	0.7
315.84775	0.6
322.56757	0.6
363.08960	1.1
449.16190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1626
Annotation	Trp Glu Asp
Peak:m/z	Relative Intensity
75.45715	0.4
76.64493	0.4
126.05527	0.8
143.01961	0.8
146.91615	0.4
210.26666	0.5
246.60391	0.5
271.11523	2.3
287.11005	14.0
334.89694	0.5
363.08804	0.6
449.16287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1702
Annotation	Armillaridin
Peak:m/z	Relative Intensity
55.10937	0.3
58.44846	0.3
116.08731	0.3
167.06993	0.4
167.85480	0.3
173.82249	0.4
176.06345	0.4
178.06468	0.6
191.07352	0.5
207.06721	0.6
216.37070	0.3
220.07607	1.7
232.07399	0.4
233.08342	0.4
240.48122	0.4
249.07771	0.4
278.08069	2.9
279.08582	0.6
292.09616	0.5
294.11417	0.7
320.09244	0.9
330.13614	1.5
336.12231	1.7
337.12808	0.6
343.14398	1.4
347.10281	1.5
349.11819	7.7
351.14246	0.6
359.14059	0.8
371.13916	5.7
374.12659	0.7
387.13406	4.1
389.14948	29.9
390.15518	0.5
433.14117	0.6
449.17099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2063
Annotation	Obliquine
Peak:m/z	Relative Intensity
56.05051	6.1
69.07088	4.8
71.93723	0.5
74.02443	22.7
75.02715	11.6
75.05596	1.5
78.64751	0.6
86.06073	2.8
86.09708	100.0
102.05534	5.5
111.93475	0.7
114.05511	9.7
130.05034	0.7
143.11800	19.6
149.02654	7.1
153.06604	3.7
166.05330	52.5
171.07661	4.2
171.11253	0.8
215.13991	1.2
238.15538	1.1
249.07306	0.7
256.16537	9.7
279.13663	3.9
284.16052	17.7
321.93954	0.6
336.15845	10.1
431.19534	3.4
449.20490	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57919	0.4
55.05497	0.6
59.32691	0.4
74.82413	0.4
81.07075	0.7
82.20856	0.4
83.04972	2.3
95.08585	0.7
95.54123	0.4
105.07008	1.1
105.47491	0.4
106.76311	0.5
107.14006	0.4
111.04452	0.8
113.99162	0.5
119.08566	0.9
121.02930	0.5
121.06447	0.8
123.09883	0.5
125.71772	0.4
129.78249	0.4
130.30682	0.5
133.10112	0.6
137.05942	0.5
138.05498	0.8
138.91096	0.5
139.03940	1.0
157.84842	0.4
182.50105	0.5
272.09256	0.5
275.20062	1.8
292.09671	9.6
304.09735	2.0
306.07599	1.1
320.09174	14.6
321.09827	45.2
335.11261	0.7
336.12292	100.0
337.12613	1.9
344.62186	0.5
449.20969	54.2
469.67395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57919	0.4
55.05497	0.6
59.32691	0.4
74.82413	0.4
81.07075	0.7
82.20856	0.4
83.04972	2.3
95.08585	0.7
95.54123	0.4
105.07008	1.1
105.47491	0.4
106.76311	0.5
107.14006	0.4
111.04452	0.8
113.99162	0.5
119.08566	0.9
121.02930	0.5
121.06447	0.8
123.09883	0.5
125.71772	0.4
129.78249	0.4
130.30682	0.5
133.10112	0.6
137.05942	0.5
138.05498	0.8
138.91096	0.5
139.03940	1.0
157.84842	0.4
182.50105	0.5
272.09256	0.5
275.20062	1.8
292.09671	9.6
304.09735	2.0
306.07599	1.1
320.09174	14.6
321.09827	45.2
335.11261	0.7
336.12292	100.0
337.12613	1.9
344.62186	0.5
449.20969	54.2
469.67395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96108	0.6
56.03366	0.7
58.06591	0.7
63.28437	0.7
63.33615	0.7
67.93106	0.6
70.06234	1.3
70.06593	27.0
76.33663	0.7
78.97751	0.7
84.04509	14.0
85.02850	0.9
88.07648	0.7
88.11253	1.8
95.06078	4.0
112.08726	17.1
113.07114	4.8
115.08694	16.0
116.07080	10.1
119.04854	0.9
126.05523	1.8
129.06613	5.2
136.07571	17.7
140.08199	3.4
154.06079	7.4
161.04761	0.8
165.05415	11.1
175.12080	0.9
181.09692	10.0
182.08113	6.6
206.09239	1.6
208.10811	1.2
209.09186	14.7
223.11873	1.3
224.10187	0.9
226.11761	1.6
227.10233	5.4
240.14503	4.0
251.11382	5.0
252.09860	3.0
262.34967	0.8
268.14084	5.9
269.12344	3.6
286.15060	41.5
287.10931	4.7
287.14395	1.4
321.15546	3.1
449.16019	19.7
449.21301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.5
57.03437	2.5
57.07098	1.4
58.24767	1.2
59.85741	1.4
67.05497	11.7
69.07069	6.0
69.90195	1.2
71.08626	38.9
79.05492	11.2
81.07053	17.0
83.04978	3.1
83.08633	2.4
91.05458	9.5
93.07031	18.2
95.04939	2.4
95.08591	12.4
97.10169	2.1
98.98449	12.6
99.08090	21.4
105.07022	9.1
107.04961	5.4
107.08598	13.5
109.10148	8.1
117.06977	1.4
118.20223	1.7
119.08571	7.0
121.10133	7.5
129.07045	1.5
131.08524	3.1
133.10143	6.6
135.11684	7.4
137.09537	1.6
145.10066	2.1
147.11687	3.4
149.13205	2.3
151.11156	14.5
161.13263	9.0
163.11159	5.9
166.45969	1.6
175.14951	1.8
179.14313	21.8
277.21582	27.0
295.22522	5.6
307.07840	3.1
336.12277	2.8
337.12576	2.4
351.25256	100.0
391.54398	1.5
407.08386	1.6
431.22049	6.7
449.15439	7.3
449.33899	2.3
460.58383	1.8
464.09280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.05526	6.8
56.23737	2.4
57.03447	3.8
61.60706	2.4
67.05508	34.0
69.07064	18.8
71.05009	2.6
71.08631	12.8
79.05501	23.4
81.03419	27.2
81.07077	32.3
83.04989	5.1
83.08608	4.8
86.04206	2.8
91.05489	17.0
91.88741	2.4
93.07045	25.4
95.04971	13.6
95.08597	13.8
98.98470	21.5
99.08111	5.0
105.07037	11.8
107.08600	21.7
109.06522	4.8
109.10144	16.5
117.06966	4.4
119.08598	10.7
121.05088	2.5
121.10153	10.4
121.80346	2.7
123.08027	3.6
123.11680	3.5
125.09635	13.4
133.10136	13.6
135.11668	3.4
147.11665	5.0
149.13332	3.1
151.11189	31.7
153.09117	13.7
153.82141	2.4
154.12250	4.9
155.01074	4.0
161.13251	4.3
163.14732	3.1
165.12735	6.6
171.15034	2.7
173.13182	2.7
178.47913	2.7
179.14296	4.4
227.12807	4.6
233.11818	2.9
277.21616	40.1
307.08090	2.7
309.60712	2.7
320.05701	2.9
321.05890	3.9
336.08374	2.9
350.10178	9.6
351.10464	25.8
351.25287	100.0
367.14096	4.8
431.21951	27.3
449.22321	4.4
449.37653	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.1
57.03434	3.2
58.45612	2.5
59.68963	2.2
60.17627	2.2
61.08332	2.2
61.20879	2.9
67.05511	34.0
67.13889	2.4
69.07062	27.4
71.08607	4.3
75.15044	2.5
79.05495	24.8
81.03440	20.7
81.07067	41.6
83.04982	11.6
83.08627	11.6
85.43460	2.7
91.05488	6.1
93.07054	33.3
95.04965	28.2
95.08592	24.2
97.10180	11.4
98.98465	19.3
99.08092	5.8
105.07037	18.7
107.08604	27.7
109.06504	3.5
109.10145	12.6
117.07016	5.1
119.08604	5.2
121.10141	14.7
123.11707	4.5
125.09615	19.3
133.10120	17.6
134.83630	3.3
135.08057	4.2
135.11700	3.9
142.21068	2.6
145.10146	4.8
147.11674	12.8
149.13286	5.8
151.11205	31.9
153.09105	15.8
155.01024	5.5
159.11737	3.7
161.13255	14.4
165.12697	4.3
171.11641	3.0
173.13164	4.5
175.14755	2.9
227.12796	5.7
277.21622	57.2
307.09448	6.9
321.09625	3.5
325.10651	8.9
351.25311	100.0
431.21854	32.8
449.23080	5.8
449.28546	3.6
449.37360	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22197	1.8
55.05524	5.8
56.92774	2.1
57.07080	3.2
67.05508	35.0
69.07075	32.3
71.04956	2.8
71.08619	9.9
79.05493	22.9
81.03423	26.1
81.07062	35.6
83.04984	5.5
83.08616	9.3
91.05472	16.3
93.07052	22.6
95.04962	22.5
95.08601	16.2
97.10175	9.8
98.98475	17.6
99.50546	2.5
105.07023	13.0
107.08611	21.7
109.06524	5.6
109.10161	14.5
117.07065	3.5
117.30697	2.4
119.08564	5.2
121.10129	9.3
123.11783	3.8
125.09622	12.7
129.86511	2.2
133.10124	15.8
135.11708	9.1
144.98024	2.3
145.10159	3.7
147.11703	10.6
151.11168	26.3
153.09190	5.4
154.12241	3.2
155.01074	10.4
161.13246	10.3
165.12758	2.6
170.11765	2.7
171.11798	3.1
171.15024	2.8
173.13211	2.4
175.14859	3.7
179.14270	4.3
227.12840	4.2
229.30692	2.4
241.09856	2.3
259.08527	3.3
277.21619	46.5
301.40253	2.8
307.09174	2.7
334.51141	2.6
351.25284	100.0
367.18164	3.3
431.21973	20.6
449.22629	10.9
449.37286	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.4
55.01878	1.6
55.05520	4.2
57.03425	2.1
58.90926	1.5
67.05509	18.2
69.07076	12.5
71.08281	2.0
71.08637	42.4
79.05486	14.9
81.03419	6.1
81.07066	23.9
83.04987	2.2
83.08621	10.4
86.65714	1.5
91.05479	12.8
92.24340	1.5
93.07047	28.2
95.04951	10.2
95.08607	17.4
97.06544	2.4
97.10174	2.3
98.98468	37.1
99.08094	27.5
105.07030	14.8
106.07305	1.6
107.04943	3.0
107.08589	16.3
109.06522	3.2
109.10124	12.8
111.08071	3.0
117.07019	2.1
119.08581	10.2
121.10139	11.2
123.11781	2.1
125.09631	2.0
127.11230	1.7
133.10158	8.3
135.11699	11.8
143.08614	2.6
145.10141	6.5
147.11703	8.9
149.13214	2.1
151.11191	23.8
152.76996	1.5
155.01068	10.5
157.10156	2.3
161.13251	10.4
163.11209	7.1
165.12735	3.2
173.02098	2.3
179.14297	21.3
217.70702	1.9
241.19484	2.4
259.20535	2.8
259.72095	1.9
272.26035	1.8
277.21594	35.2
333.14297	1.9
337.12769	2.1
351.25284	100.0
431.21899	25.4
449.08609	2.6
449.22763	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37321	0.8
53.03954	1.2
55.01875	2.0
55.05518	8.4
57.03440	1.5
57.07084	1.5
67.05175	1.7
67.05515	25.4
69.07078	16.1
71.04993	1.3
71.08634	15.8
79.05490	16.7
80.40477	0.9
81.03424	14.0
81.07053	21.5
83.04973	9.2
83.08630	2.5
85.17853	0.9
91.05477	10.5
91.29884	1.0
92.21584	1.2
93.07046	22.2
95.04966	15.7
95.08611	14.6
97.06527	1.7
97.10175	4.9
98.98465	16.8
99.08109	8.8
105.07052	8.1
107.08614	18.5
109.06524	4.7
109.10159	13.7
119.08568	9.5
121.06533	1.3
121.10149	8.3
121.38285	1.0
123.08073	1.6
123.11730	2.3
125.09620	5.3
131.07591	1.1
131.08521	1.3
133.10115	10.3
135.01862	1.1
135.08029	1.6
135.11684	7.5
143.08595	2.0
147.11661	7.5
149.13235	1.5
151.11174	28.8
153.09166	1.3
155.01062	2.1
159.11728	1.4
161.13214	8.0
163.11208	3.8
164.94609	1.1
165.12738	6.6
171.11684	1.4
173.02089	2.2
175.14874	1.7
179.14349	9.6
207.13722	1.4
227.12738	1.3
231.21068	1.9
241.19458	4.4
259.20511	4.3
277.21619	31.1
321.05783	1.8
321.09402	1.3
336.08200	1.9
350.10184	1.5
351.10739	10.7
351.25290	100.0
431.21957	15.0
449.22443	2.5
468.20779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	2.4
53.22842	2.1
55.05516	9.6
59.47221	2.3
61.96835	2.0
63.63935	2.1
67.05511	32.6
69.07072	33.2
71.08623	2.9
79.05492	30.4
81.03406	20.7
81.07066	37.6
81.39646	2.1
83.04980	14.5
83.08625	11.4
83.87829	1.8
85.06506	2.1
85.61321	2.0
91.05482	22.6
91.95327	2.1
93.06502	3.0
93.07044	45.9
95.04967	29.1
95.08625	20.3
97.10170	14.9
98.98459	27.0
99.08036	2.4
105.07037	13.3
107.08601	28.1
109.06530	4.7
109.10162	15.3
111.08131	3.5
117.07013	4.6
119.08610	13.6
121.06482	2.4
121.10165	9.9
123.08051	2.5
123.11674	3.9
123.71150	2.3
125.09628	12.2
129.07057	2.9
131.08521	3.8
133.10155	17.0
135.08046	3.0
135.11682	9.3
136.15529	2.5
142.00357	2.4
145.10214	2.8
147.11717	12.6
149.13261	5.7
151.11215	30.7
153.09131	23.5
154.12282	3.4
155.01067	4.1
161.13295	13.6
165.12761	4.7
171.11685	4.1
174.24210	3.1
175.14807	4.1
179.14357	4.2
201.42445	2.5
217.12695	2.8
227.12776	16.8
239.74098	2.5
277.21606	51.3
287.27789	2.6
307.09406	14.9
325.10446	4.8
351.25293	100.0
367.14301	5.0
369.81964	3.0
431.21979	42.4
449.22711	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00342	1.4
55.05519	4.0
56.73291	1.7
57.03445	22.9
57.07082	29.4
67.05511	12.2
69.07077	9.8
71.08633	25.6
79.01590	1.5
81.07060	15.9
83.08633	8.2
85.10198	10.8
91.05503	2.3
93.07050	2.6
95.08598	22.6
97.10168	3.3
98.98464	46.2
107.08669	2.5
109.10159	13.0
123.11710	2.0
136.99998	67.9
137.00980	3.0
137.09566	1.4
154.12225	13.7
155.01041	56.5
155.02185	2.4
157.54797	1.5
171.14992	3.5
193.02676	3.0
211.03714	3.5
313.27267	24.9
357.38199	1.7
430.76279	1.8
431.31918	1.8
449.26794	100.0
449.37216	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2661
Annotation	Mappain
Peak:m/z	Relative Intensity
53.26077	1.2
55.05500	1.9
57.03439	20.3
57.07081	23.6
67.05508	9.2
69.07080	3.3
71.08650	16.6
75.14133	1.5
79.05503	2.5
81.07075	12.2
83.08627	6.3
85.10175	7.7
88.31540	1.5
93.07037	3.2
95.08596	20.0
97.10157	2.1
98.98473	43.0
105.07051	1.7
107.08615	2.1
108.55260	1.5
109.06618	1.8
109.10185	3.1
122.77054	1.4
133.10152	1.9
136.99988	54.6
137.00993	2.9
144.86916	1.7
145.10135	1.7
154.12305	2.5
155.01041	46.5
176.30562	1.5
177.39322	1.6
178.19647	1.5
193.02606	2.6
199.73314	1.6
211.03618	3.5
313.27374	16.4
374.65857	1.7
374.71832	1.8
449.26666	100.0
449.36768	3.1
456.18149	1.8
460.03229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.8
57.03441	24.1
57.07085	27.6
59.32210	1.7
63.52566	1.6
67.05523	9.1
68.52801	2.0
69.07076	9.3
71.08636	29.4
74.17085	1.9
79.05491	2.0
79.86676	1.5
81.07076	15.7
83.08638	12.0
84.28793	2.0
85.10192	11.7
93.07050	2.2
95.08605	23.3
97.10175	4.2
98.98470	39.7
104.25197	1.9
105.07037	2.3
106.84854	1.8
109.10126	13.9
119.08558	2.5
123.11726	3.2
125.09630	2.5
136.93542	1.8
136.99998	69.5
137.00977	3.6
144.08362	2.0
154.12242	3.0
155.01027	54.7
155.02193	2.5
169.02637	2.2
170.75221	1.7
193.02655	1.8
199.14964	2.1
211.03719	7.8
251.10765	4.5
311.12842	8.1
313.27347	20.4
363.10739	7.4
365.17419	1.9
377.12317	2.5
403.23221	2.2
432.34506	2.9
449.21674	14.2
449.26892	100.0
449.37445	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39414	0.5
69.07086	0.9
76.60654	0.5
81.07064	1.1
95.08618	1.0
102.49743	0.6
107.08589	0.7
109.10184	0.6
147.11737	0.7
148.88536	0.6
154.12244	1.3
182.44806	0.6
201.53316	0.6
331.85336	0.6
351.25250	1.1
381.94012	0.6
400.09009	0.6
400.14108	0.5
421.29282	1.0
449.21451	6.4
449.28696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03115	1.0
62.67597	1.3
64.90189	1.2
67.05526	1.2
88.97321	1.3
97.82864	1.3
137.09651	1.3
155.01108	2.4
176.52666	1.4
184.51865	1.1
186.20375	1.2
330.40234	1.3
449.28726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3257
Annotation	Digitogenin
Peak:m/z	Relative Intensity
53.02385	0.8
55.01891	1.0
55.05328	0.7
55.05522	12.5
57.07077	1.5
58.12476	0.8
62.93550	0.7
67.05503	12.0
69.03427	1.8
69.07074	6.9
70.66281	0.9
71.08627	9.1
79.05482	7.0
81.07061	14.7
83.04987	1.0
83.08626	11.2
85.06567	1.1
91.05465	6.6
92.68166	0.9
93.07047	9.9
93.32460	0.8
94.34385	0.8
95.04944	1.0
95.08605	8.7
97.06519	1.1
97.09588	1.3
97.10176	24.2
99.08110	2.0
99.67282	0.8
103.61154	0.8
105.07027	5.5
107.08613	14.5
109.06522	6.0
109.10167	9.0
111.08089	1.4
116.98466	0.9
117.07044	1.4
119.08597	6.3
121.06451	1.2
121.10138	4.1
123.08088	3.8
125.09627	16.0
129.07021	0.9
131.00047	1.0
131.08578	4.4
133.10188	4.9
135.08130	1.3
135.11702	3.6
137.13246	1.3
143.08566	1.9
145.10126	1.8
147.11703	4.3
149.13264	1.0
151.11156	0.9
153.09125	1.6
157.10168	1.2
159.11726	2.1
161.13313	1.9
163.11198	1.0
163.14767	1.6
165.12724	9.2
171.11757	1.6
174.99042	0.9
177.12708	2.1
185.13264	1.3
187.11191	1.0
189.11247	1.5
198.97993	0.9
202.08510	0.9
209.13483	1.0
237.14896	6.6
261.22098	12.0
287.20084	1.3
293.21304	1.7
301.21625	1.1
315.23071	1.4
351.25253	1.2
367.14496	1.6
401.54248	0.9
413.30511	8.4
431.31549	27.3
449.32629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3259
Annotation	Digitogenin
Peak:m/z	Relative Intensity
55.01876	1.0
55.05517	12.9
62.07633	1.0
67.05508	16.6
68.16817	1.0
69.03417	4.9
69.07064	5.3
71.08644	9.4
79.05502	10.3
79.53027	1.1
81.07062	14.7
83.04973	1.3
83.08613	14.3
85.06536	1.3
85.94393	1.0
91.05477	2.5
93.07036	9.5
95.04979	1.4
95.08598	10.5
97.10171	20.6
99.08104	5.4
105.07002	4.9
107.08597	11.7
109.06525	7.7
109.10182	10.1
111.08022	1.3
117.07011	1.7
119.08607	7.3
121.10158	4.5
123.08055	4.9
125.09618	17.7
125.78967	1.0
129.43932	1.1
131.08534	6.1
133.10127	5.0
135.08064	2.5
135.11671	2.7
136.99992	1.8
145.10120	4.7
147.11679	4.8
149.09644	1.6
153.09140	1.3
154.12282	2.0
157.10153	1.3
159.11714	2.4
161.13333	1.7
163.11165	1.6
165.12721	11.5
171.11592	2.1
173.13245	1.6
175.14833	1.2
177.12700	1.5
185.13222	1.5
189.11113	1.5
199.14742	1.7
219.13803	1.1
237.14812	4.9
252.23138	1.3
261.22092	8.9
265.12158	1.3
332.24268	1.4
367.14310	2.1
413.30435	7.1
431.31610	25.6
435.23755	1.2
449.32581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3258
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
55.05511	11.7
61.08423	6.9
62.47072	6.8
65.40887	6.5
67.05505	17.1
69.07048	7.6
70.54529	6.1
71.08635	67.1
79.05494	17.8
81.07062	33.5
83.08591	9.5
91.05462	10.8
93.07024	26.6
95.08620	29.0
97.10181	7.4
98.09399	6.3
98.98502	9.1
99.08099	41.2
105.07034	31.9
107.05095	6.6
107.08588	36.6
109.10173	14.0
117.07032	16.3
119.08609	13.2
121.10141	9.0
129.07001	6.9
130.25038	6.6
131.08571	14.6
133.10188	8.6
135.08063	14.8
149.13376	8.3
154.12222	10.0
159.11671	8.8
168.13850	34.2
173.13330	11.3
175.14888	12.1
186.30988	7.1
199.65881	7.9
298.33484	8.8
312.96085	7.3
315.23175	11.9
377.28015	7.9
395.29056	11.1
413.30508	100.0
431.31531	92.4
449.25851	31.5
449.32419	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3258
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.88757	5.1
62.58424	5.3
63.42226	5.4
65.62268	5.7
67.05502	23.5
69.07078	15.0
71.08646	51.0
73.90582	5.5
79.05504	6.9
81.07063	41.2
83.08582	10.8
85.07679	29.0
91.05471	8.0
93.07024	24.6
95.08585	9.6
96.11515	5.0
97.10190	6.5
99.08105	30.7
101.20198	5.7
105.07076	10.2
105.07907	5.9
107.08579	24.9
109.10149	12.6
117.07011	6.8
119.08570	14.9
129.07045	6.8
131.08553	9.2
155.01033	10.2
157.10059	7.2
161.13269	14.3
187.14783	12.8
194.83919	6.3
213.16422	6.4
287.23694	7.9
365.17667	8.0
367.25159	13.8
367.29724	8.0
385.30856	12.3
391.19510	7.7
395.29440	9.2
403.32211	9.6
413.30377	100.0
431.31311	25.1
449.26907	60.4
449.32562	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.7
56.05054	1.4
57.03437	1.5
57.07076	2.4
67.05523	27.4
68.76514	1.4
69.07074	14.7
71.08623	1.8
79.05487	11.7
81.07059	31.7
81.35939	1.6
83.05009	2.7
83.08630	9.0
85.06538	1.8
88.89019	1.5
91.05484	10.8
93.07042	24.1
95.06483	1.5
95.08609	35.2
97.06581	2.0
97.10169	7.0
98.98486	1.7
105.07030	20.7
107.08590	16.2
109.10157	15.5
113.00022	19.1
114.66537	1.7
117.07038	11.9
119.08572	21.5
121.10149	21.8
123.11737	4.0
131.08559	23.3
133.10095	17.3
135.11707	14.2
137.09607	3.2
137.13406	1.7
143.08611	8.3
145.10126	19.6
147.11667	7.3
149.09677	1.7
149.13231	2.8
151.11179	1.9
154.12263	42.1
155.08499	3.1
157.10106	6.4
159.11653	12.0
161.13252	6.7
169.02634	9.5
171.11688	7.0
171.14975	14.6
173.13246	6.5
185.13264	7.1
187.14867	2.2
189.16348	2.0
213.16454	2.1
271.20535	2.9
337.27225	6.4
351.30786	1.7
379.29922	7.4
396.32495	7.6
397.30927	13.3
414.33612	22.2
415.31772	6.7
418.87836	1.8
431.36221	13.8
432.34720	15.6
449.27130	2.6
449.37384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
56.05049	4.9
57.03434	0.8
57.07085	3.4
67.05505	6.3
69.07067	4.2
71.08636	3.1
79.05484	2.4
81.07054	5.7
81.39431	0.4
83.08631	1.6
84.08132	0.5
91.05453	1.8
93.07036	3.0
95.08604	4.9
97.10133	0.6
105.06989	0.7
107.08611	2.0
109.10159	12.2
111.08083	0.6
111.11698	2.0
112.85745	0.4
113.00008	5.5
119.08573	2.9
121.10155	2.0
123.11716	0.7
131.08554	0.5
133.10120	0.8
135.11687	0.8
136.11211	1.9
137.09619	3.6
141.12692	0.8
145.10182	0.8
153.13863	0.6
154.12268	100.0
161.13184	0.5
169.02568	4.9
169.12192	0.4
171.14912	38.1
183.13841	1.9
279.23148	0.9
296.25864	2.5
337.27478	2.3
431.36423	1.8
432.34781	5.2
449.21771	1.9
449.37387	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	7.3
60.90549	0.9
66.12889	0.8
67.05503	2.0
69.07072	3.6
78.89642	1.0
79.05509	1.1
81.07053	4.2
83.08626	2.2
91.05450	1.6
95.08604	3.8
99.50913	1.1
100.05748	1.0
105.07050	1.6
107.08596	1.9
109.10153	3.9
121.10168	1.6
133.10124	1.8
154.12251	14.3
168.13826	100.0
171.14908	6.4
185.16481	27.3
323.05347	1.1
336.44589	1.1
344.90317	1.0
432.38248	4.9
449.41724	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40239	0.7
80.14212	1.0
89.29311	0.8
105.33569	1.0
105.45541	0.7
127.37737	0.9
141.72809	0.8
191.07224	1.3
204.08224	1.0
220.07533	1.0
234.23006	0.9
250.08418	1.1
265.54221	0.9
278.08145	3.2
282.61148	1.0
319.08475	6.0
320.09100	4.5
321.09686	1.8
334.10672	10.9
336.12308	19.0
345.09796	3.9
348.08536	6.9
361.09451	1.4
362.05988	1.6
362.10208	42.2
374.10138	9.2
376.08112	19.8
390.09692	53.7
391.10437	13.0
392.07553	1.5
406.08585	11.6
406.13025	4.1
418.09048	4.2
420.07153	7.0
434.08725	20.3
435.09497	7.9
450.11655	100.0
450.18005	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59212	0.1
99.11937	0.1
155.82027	0.1
163.05478	0.2
178.06520	0.1
183.93666	0.1
191.07227	0.4
204.08238	0.1
206.05984	0.1
220.07564	0.3
232.07610	0.1
235.06284	0.2
249.07927	0.1
250.08702	0.5
262.08551	0.2
264.10132	0.2
277.07144	0.2
278.07880	0.8
279.08557	0.1
290.08081	1.0
292.09637	3.7
294.11270	0.4
304.06030	0.2
318.07590	1.3
319.08353	2.1
320.09152	100.0
334.10730	3.7
336.12268	0.7
372.08371	0.2
450.11646	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53041	0.2
62.01593	0.3
63.02377	0.3
65.03934	0.3
75.61544	0.2
82.02120	0.2
89.72530	0.2
95.05091	0.2
96.27747	0.3
115.05464	0.3
150.04668	0.4
163.05418	0.5
165.06973	0.3
174.05490	0.5
176.06299	0.3
178.06522	0.4
180.07932	0.3
181.47598	0.2
190.06508	1.1
191.07297	1.5
192.08072	0.3
204.08112	0.3
206.05995	0.3
220.07591	2.0
221.08131	0.4
232.07652	0.3
233.08365	0.4
234.09065	0.3
235.06372	0.4
248.07126	0.5
250.08603	1.0
260.20206	0.3
276.06573	1.2
278.08115	3.3
279.08627	1.0
290.08099	9.0
292.09793	1.0
294.11163	1.6
302.08072	2.3
303.08710	0.4
304.06046	7.9
304.09283	0.4
308.12781	1.0
318.07593	9.9
319.08389	49.5
320.09247	1.0
320.12994	0.3
321.10034	0.4
322.10565	1.2
334.10724	100.0
336.12283	2.9
337.12958	2.2
352.15427	5.1
386.10205	1.7
404.10858	0.3
406.16623	4.2
432.10660	0.6
435.13098	0.4
450.15906	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26292	0.6
56.17541	0.8
61.45994	0.7
62.01593	1.0
63.02364	1.0
66.82928	0.7
75.02332	1.5
78.15906	0.7
85.93997	0.8
89.03853	1.1
92.20726	0.8
133.08600	0.8
150.04614	1.7
152.06165	1.7
163.05328	3.0
164.04907	0.9
165.06877	0.9
166.06488	0.9
169.06364	0.8
177.05659	1.1
178.06435	3.4
189.05493	0.9
190.06435	3.7
191.07307	9.5
192.07899	3.5
203.07375	1.1
204.07968	3.4
206.05957	3.8
207.06697	1.1
208.07132	0.9
219.06822	3.1
220.07599	9.6
221.08035	3.5
232.07477	1.6
233.08186	2.9
234.09090	1.8
235.06245	1.6
235.09811	1.2
236.07039	2.0
248.06964	3.4
249.07893	1.2
250.08583	6.2
251.08894	1.2
262.08514	1.4
263.05563	1.0
263.09167	1.4
276.06525	1.0
278.08102	16.8
279.08542	5.9
290.08060	11.3
292.09525	4.4
294.11270	8.2
297.83835	0.8
302.08051	4.5
304.06122	9.8
308.12692	1.7
318.07574	16.0
319.08389	64.3
320.09103	6.1
321.09686	1.0
322.10672	1.5
334.10715	100.0
336.12277	7.5
337.12729	3.0
342.07349	1.0
343.07990	1.2
352.15222	1.6
371.07983	1.8
386.10028	8.1
388.07968	3.7
389.08661	1.6
404.11185	3.6
414.09506	1.4
432.10748	3.8
450.11575	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11143	0.3
57.35288	0.3
61.64449	0.3
80.91473	0.3
87.31097	0.3
150.04597	0.4
163.05397	0.4
165.05629	0.4
165.06966	0.5
177.05624	0.5
190.06413	0.8
191.07220	0.7
191.29562	0.4
204.07977	0.5
220.07564	1.7
278.08112	2.0
292.09677	4.2
294.10992	0.5
306.07541	1.8
308.12762	0.6
308.19580	0.5
318.07419	0.8
319.08395	0.8
320.09161	100.0
334.07059	10.6
334.10791	2.5
336.12256	2.0
337.12848	0.7
352.15295	3.3
406.12741	1.7
434.12195	1.7
435.13339	1.2
450.11194	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53970	0.4
75.02456	0.4
78.49431	0.4
87.02492	0.4
102.02889	0.4
115.05605	0.5
139.05579	1.0
140.05115	0.7
150.04712	0.8
151.05623	0.5
152.06285	0.6
155.66286	0.4
163.05574	1.7
164.06364	0.5
176.06293	0.7
178.06633	1.8
178.49510	0.4
182.81255	0.4
189.40796	0.4
190.06691	1.8
191.07315	3.3
192.08070	1.0
201.21773	0.4
204.08203	1.8
206.06110	0.6
217.09039	0.7
219.06927	1.0
220.07541	4.2
221.08398	1.9
232.07623	1.4
233.08418	2.0
234.09119	0.8
235.06232	1.3
235.09869	0.5
236.07079	0.9
248.07051	1.8
249.07779	0.5
250.08627	3.0
251.09003	0.4
262.08731	0.8
263.05847	0.8
263.09494	0.7
264.10245	0.4
276.06598	2.2
278.08139	11.8
279.08673	3.0
290.08069	11.6
292.09659	1.8
293.10065	0.5
294.11212	4.0
295.11441	0.6
302.08182	3.6
304.06039	10.8
308.12866	0.9
318.07632	15.6
319.08386	58.1
320.09216	4.1
321.09549	0.5
322.10294	0.5
334.10712	100.0
336.12399	3.1
337.12738	1.6
396.05005	0.5
404.15552	0.5
406.12308	0.5
450.11508	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19872	0.4
54.64853	0.4
56.30069	0.4
69.59248	0.4
72.23032	0.4
103.53187	0.5
133.10106	0.5
138.05617	0.7
292.09714	2.8
294.11499	1.8
308.09259	2.1
314.85593	0.5
318.07349	0.7
320.09164	100.0
322.10623	4.3
323.11456	7.5
334.10681	0.8
336.12192	3.6
337.12738	5.0
338.10144	1.0
338.13812	21.1
352.11646	0.9
352.15442	10.4
364.15347	3.1
430.92090	0.5
450.11661	32.2
450.17090	2.1
450.23489	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18542	0.6
52.70339	0.5
55.05519	0.7
67.05514	0.9
69.07080	0.7
71.98347	0.6
72.66788	0.5
81.07066	0.9
95.08601	1.1
107.08616	0.7
109.10195	0.9
111.27328	0.6
125.68800	0.5
133.10138	0.6
135.04402	0.7
149.05981	2.7
151.07541	2.5
152.07074	4.1
164.53581	0.7
170.09628	0.8
171.48621	0.6
173.05972	0.7
176.07068	4.5
183.49176	0.6
213.07797	1.3
214.08003	0.6
228.10185	27.4
290.09302	0.9
291.12805	0.6
292.09689	1.3
320.09152	1.5
321.10175	4.6
322.10822	0.7
330.12497	1.4
336.12244	34.5
337.13126	0.8
349.16806	2.8
361.14316	1.2
362.14001	0.8
367.17477	0.7
378.16937	6.5
381.11765	0.7
392.27869	0.6
406.16571	4.8
409.18967	3.9
450.15436	100.0
450.32175	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43625	0.2
63.80893	0.2
64.11092	0.2
64.19643	0.2
85.54927	0.3
96.44579	0.2
102.13844	0.3
131.47763	0.2
150.04601	0.2
152.06137	0.3
169.06602	0.3
178.06456	0.3
190.06480	0.5
191.07344	1.8
192.08037	0.3
220.07620	1.4
232.07549	0.4
233.08386	0.6
234.09000	0.3
236.07100	0.3
249.07832	0.3
250.08543	0.4
251.89526	0.3
278.08182	3.3
279.08719	0.6
292.09760	1.3
294.11230	3.8
306.07822	0.5
306.11255	1.4
307.08414	0.5
308.09238	1.5
308.12762	1.1
318.07642	0.5
319.08694	0.8
320.09161	4.0
321.09961	0.6
322.10754	5.3
323.11481	6.2
334.07077	3.7
334.10840	2.7
335.11530	1.2
336.12286	7.4
337.13116	2.0
338.13821	8.6
348.12393	1.0
349.13074	0.4
350.13876	3.5
351.14676	0.5
352.00156	0.3
352.15540	3.3
378.13589	1.3
388.11847	0.5
389.12650	1.2
390.13324	1.3
392.10968	2.1
402.09830	0.4
405.12033	0.5
406.12857	20.5
407.13568	1.0
417.12155	0.6
418.12915	7.1
420.10764	15.0
421.11472	0.5
422.15945	1.4
432.14709	1.1
434.12360	27.7
435.13153	17.1
435.19147	0.4
450.15518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96183	0.2
81.90231	0.3
92.20885	0.3
97.34676	0.4
99.04399	0.7
110.14373	0.3
155.25107	0.3
157.94185	0.3
202.15811	0.3
225.08382	0.3
263.83069	0.5
276.06589	0.4
286.59821	0.3
290.08072	8.6
302.08136	2.7
304.06009	7.2
306.07629	0.5
309.97388	0.3
318.07629	10.9
318.11151	0.7
319.08401	53.7
320.09088	3.8
321.09958	0.5
322.10596	0.7
334.10736	100.0
335.11462	0.7
336.12390	4.5
352.11725	1.4
450.15530	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12186	0.6
63.55363	0.6
76.69889	0.6
78.68394	0.5
81.51247	0.6
95.71941	0.7
106.70525	0.6
120.05301	0.6
129.20398	0.6
132.37172	0.7
133.10060	0.7
144.55406	0.6
148.21356	0.6
152.06215	0.7
157.05530	0.6
163.05376	0.8
174.05432	0.7
191.07320	1.2
192.08093	0.7
217.22729	0.6
220.07555	1.1
250.08559	0.9
278.08170	5.1
279.08743	0.9
292.09656	0.8
294.11084	0.9
306.07544	0.8
306.11127	1.4
307.08414	0.9
308.12674	3.1
318.07416	0.8
319.08389	3.7
320.09296	5.3
320.12585	1.2
321.09836	2.6
322.10678	2.4
323.11517	2.4
324.12030	1.0
334.07159	1.1
334.10715	11.9
335.11444	3.6
336.12280	6.2
337.12885	5.4
350.13992	6.1
352.11691	1.1
352.15433	14.7
388.11832	3.5
392.11508	1.0
402.09674	1.5
406.12817	13.9
416.11438	4.3
417.12073	3.9
418.12659	4.8
420.10703	8.1
432.14618	5.4
434.12357	18.2
435.07635	0.9
435.13153	18.2
435.82318	0.7
450.15338	100.0
458.95346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96183	0.2
81.90231	0.3
92.20885	0.3
97.34676	0.4
99.04399	0.7
110.14373	0.3
155.25107	0.3
157.94185	0.3
202.15811	0.3
225.08382	0.3
263.83069	0.5
276.06589	0.4
286.59821	0.3
290.08072	8.6
302.08136	2.7
304.06009	7.2
306.07629	0.5
309.97388	0.3
318.07629	10.9
318.11151	0.7
319.08401	53.7
320.09088	3.8
321.09958	0.5
322.10596	0.7
334.10736	100.0
335.11462	0.7
336.12390	4.5
352.11725	1.4
450.15530	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82800	0.7
85.53735	0.6
140.29039	0.7
142.83624	0.8
143.60736	0.6
210.44081	0.8
244.40834	0.7
290.08002	8.8
302.08151	2.9
304.06046	8.2
304.09204	0.9
318.07642	10.4
319.08383	48.3
320.09213	3.1
334.10724	100.0
336.12509	2.4
352.15460	1.1
364.31290	0.8
450.15515	55.1
468.19302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98236	0.5
61.72256	0.5
67.73533	0.4
69.50318	0.5
69.77640	0.5
73.35149	0.4
239.82121	0.5
290.08109	11.3
302.08167	3.4
304.06033	8.5
318.07639	10.2
319.08383	54.3
334.10724	100.0
450.15463	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93877	0.1
67.15777	0.2
70.53712	0.2
78.47337	0.2
109.10165	0.3
116.32947	0.2
126.15394	0.2
178.06607	0.2
190.06448	0.2
191.07294	0.4
206.05763	0.2
220.07545	1.0
248.07062	0.2
250.08556	0.5
273.07990	0.2
276.06668	0.7
277.06998	0.2
278.08023	1.6
279.08505	0.2
280.69589	0.2
290.08084	11.2
292.09561	0.4
294.11172	0.4
302.08112	2.8
303.08817	0.2
304.06015	9.9
305.07047	0.2
308.12900	0.3
318.07587	12.8
319.08383	56.8
320.09113	4.7
321.09976	0.3
322.10782	0.3
334.10715	100.0
336.12283	1.4
337.13159	0.3
344.09189	0.2
352.15488	0.4
360.12308	0.3
388.11816	0.4
389.14575	0.3
404.11151	0.3
406.12738	1.5
417.11917	0.2
418.12689	0.3
420.10736	0.4
432.14914	0.4
434.12274	1.2
435.13019	0.9
450.11523	26.9
450.15881	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46750	0.3
57.15572	0.3
58.06555	0.6
76.28590	0.3
84.72477	0.3
111.00126	0.3
190.06406	0.6
202.06543	0.4
226.69194	0.4
230.66245	0.5
276.06461	2.2
278.07886	0.6
292.09659	9.7
294.07632	1.4
304.09595	1.5
306.07526	3.1
308.09082	2.1
318.07541	0.7
319.08368	3.0
320.09186	26.2
321.09949	33.4
322.06970	1.7
334.10806	7.6
336.09006	4.7
336.12289	100.0
337.09412	8.3
338.13336	0.5
339.14151	0.6
348.12497	0.5
350.10278	0.5
351.10733	0.4
352.11758	23.8
355.59164	0.4
450.15521	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.154
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52863	0.3
70.89896	0.3
91.78878	0.3
107.70300	0.3
120.40739	0.3
123.90063	0.3
147.73219	0.3
153.19151	0.3
157.22566	0.3
175.42078	0.3
292.09631	3.1
318.07526	1.4
320.09161	100.0
321.09851	1.5
336.12244	4.6
352.11475	0.3
450.15460	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54892	0.6
71.37071	0.6
99.04460	2.8
117.37180	0.6
121.06504	0.7
150.30968	0.7
171.31937	0.6
198.47795	0.6
245.42949	0.6
246.93588	0.6
261.78824	0.7
291.08972	0.7
292.09366	0.6
294.11188	0.5
306.07693	1.0
307.08386	0.9
308.09177	3.9
320.09189	3.0
321.09930	1.0
324.08615	0.7
336.08661	14.5
336.12225	1.2
337.09369	8.3
338.09879	1.2
338.13516	0.9
352.11780	100.0
353.12204	1.2
395.63351	0.6
406.12970	1.0
422.15997	18.7
442.08386	0.7
450.15475	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53205	0.7
57.17876	0.7
67.05513	1.0
76.50169	0.8
79.63638	0.8
91.67751	0.8
93.07042	1.0
102.45524	0.7
132.25673	0.8
206.03253	0.9
212.14464	0.9
226.08665	13.2
241.10936	0.9
278.21927	1.1
308.09128	11.8
320.09085	1.2
322.06992	1.6
336.08655	13.5
337.09448	25.6
346.14398	2.0
348.12482	1.6
349.13159	1.6
352.08264	4.0
352.11807	82.9
363.14774	4.5
406.12869	1.4
422.10410	1.1
422.16016	55.3
450.15518	100.0
450.29462	4.2
453.50677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10402	0.3
63.21846	0.3
63.83964	0.5
66.84959	0.4
83.78737	0.4
93.56249	0.4
93.60765	0.4
127.03740	0.5
168.30894	0.5
276.06323	0.7
290.08057	8.5
302.08151	2.1
304.06021	9.7
318.07623	11.3
319.08386	55.3
320.09308	2.0
334.10724	100.0
336.12302	0.6
378.09698	0.8
450.15512	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31185	1.3
67.05511	1.7
74.72302	1.3
80.13770	1.3
81.07091	1.7
83.08642	1.7
93.00331	1.3
93.15670	1.3
95.04974	1.5
99.04471	2.7
161.04463	1.4
190.05025	10.3
238.46048	1.6
276.20206	1.5
291.11105	1.5
294.07535	1.8
308.09229	18.1
310.21637	10.3
320.09381	2.8
322.07175	3.7
322.21625	2.8
336.08685	16.9
336.12207	2.4
337.05814	1.7
337.09457	40.4
352.11792	100.0
352.25504	7.0
404.14005	1.6
422.16150	15.4
432.22775	2.0
432.28928	7.4
450.15707	73.2
450.22156	4.0
450.28946	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33078	1.5
61.61787	1.8
67.05487	2.0
69.07076	1.8
79.05463	2.1
89.43803	2.0
91.05467	2.2
113.14924	2.0
129.07045	2.2
149.05965	13.3
157.06496	11.4
176.07027	18.1
204.06551	46.2
204.08441	2.6
232.05974	22.4
305.76251	2.3
318.07605	15.6
326.00018	2.6
333.09894	37.4
334.10593	2.5
336.08707	3.0
364.11758	100.0
367.17783	8.2
390.13004	2.7
390.93704	2.0
418.12885	13.5
426.85660	2.7
450.15799	94.1
450.30298	4.1
450.37448	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24599	1.2
57.03423	2.5
59.63993	1.4
60.05813	1.3
61.02914	2.2
63.35027	1.3
69.03437	29.1
75.75703	1.4
85.02898	28.2
87.04474	26.9
97.02896	27.2
99.04450	1.5
107.04955	62.6
109.02867	2.5
115.03938	27.4
117.07005	1.9
121.06498	16.0
127.03905	6.6
133.04987	21.6
139.03938	15.9
145.04999	2.2
145.05202	2.3
145.06483	26.8
150.07558	2.9
156.34279	1.7
156.35666	1.7
159.04427	14.2
163.07539	6.8
175.07515	2.9
177.05467	19.8
180.06577	3.7
187.07541	2.5
217.08606	8.4
235.09706	3.2
253.08635	3.7
271.09644	48.4
288.12277	24.5
295.10153	2.0
450.12051	3.6
450.17532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.4
61.02935	1.1
66.79942	0.4
68.26366	0.4
69.03436	4.0
69.97077	0.4
73.02904	0.7
77.41269	0.4
81.03427	2.1
85.02906	10.6
87.04474	1.1
92.21552	0.6
97.02898	4.1
99.04465	0.5
107.04961	67.0
109.02910	2.1
121.06483	5.2
123.58033	0.5
127.03916	2.6
131.04901	1.8
133.06506	0.7
139.03912	12.7
143.72556	0.5
145.05243	0.6
145.06485	13.0
149.05940	1.1
153.05524	0.7
156.77231	0.4
159.04417	17.1
165.05489	3.8
177.05464	20.7
180.06573	3.7
180.69034	0.4
192.10213	1.0
193.10580	1.0
194.08064	0.6
225.09094	2.1
243.10088	0.7
253.08487	3.9
253.24193	0.5
271.09634	44.9
288.12280	25.0
288.15482	0.8
297.88272	0.5
400.25632	0.5
450.17599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.04130	0.4
57.81136	0.5
58.06610	100.0
58.34270	0.5
59.38889	0.5
68.68055	0.5
70.06587	0.7
70.79278	0.5
74.54657	0.6
81.03393	1.1
84.08140	0.6
85.02886	1.1
91.05476	1.1
97.02828	0.7
99.04478	0.8
103.75993	0.5
107.04990	0.6
110.94729	0.5
124.07603	0.7
125.05998	0.7
125.43587	0.5
145.20525	0.6
153.05460	1.0
161.04413	0.6
170.08231	0.6
192.56720	0.5
192.71852	0.6
285.07520	0.7
288.12137	0.8
331.11871	2.1
400.13794	0.7
418.15012	2.1
432.16525	15.2
450.17520	18.8
468.90643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1758
Annotation	CHEMBL559401
Peak:m/z	Relative Intensity
50.97176	0.4
51.07203	0.4
54.72097	0.4
55.01880	0.6
57.03441	1.1
59.68261	0.4
61.02926	2.8
69.03430	5.5
71.04982	0.6
73.02917	3.6
81.03427	1.2
85.02906	16.5
87.04459	1.1
88.74649	0.5
91.03928	0.9
92.20839	0.7
92.54593	0.5
97.02888	7.4
99.04450	1.1
103.28642	0.5
107.04953	77.2
109.02857	2.2
115.03922	0.8
115.07890	0.6
117.60703	0.5
119.04914	0.5
121.06508	6.9
127.03904	4.9
131.04933	3.0
133.02821	1.1
133.04996	0.6
133.06458	0.9
136.07536	0.8
139.03902	17.3
141.63545	0.5
145.05008	2.4
145.06488	14.0
149.05960	2.6
153.05403	0.9
159.04402	21.0
159.05666	0.9
164.26083	0.5
165.05453	4.4
175.07582	0.8
177.05452	23.2
180.06612	3.9
194.08087	0.7
207.08101	0.8
225.09097	2.5
249.09212	0.5
253.08499	5.7
271.09625	50.5
288.12274	28.2
300.96698	0.6
431.07602	0.5
450.17563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1761
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
61.02911	1.4
69.03432	2.5
74.06082	1.4
84.40295	1.4
85.02891	10.3
89.38114	1.3
90.05549	2.4
91.05471	1.7
91.40495	1.2
97.02890	3.2
103.49368	1.6
107.04935	6.2
109.02905	1.6
118.06541	25.8
121.06512	1.6
123.04434	10.2
135.04407	3.5
136.07562	1.8
137.05975	69.7
145.05092	1.5
146.06010	85.5
147.04375	14.4
149.05980	2.0
152.07043	35.3
161.05956	3.2
162.05482	3.2
164.07059	100.0
165.06960	1.7
167.07089	11.7
175.07568	1.5
180.99561	9.7
195.05917	1.8
199.00572	1.7
211.07523	6.5
225.09177	2.4
235.33955	1.5
239.07034	22.2
253.08559	9.7
270.11151	2.8
271.09567	28.7
288.05530	1.8
288.12299	80.9
307.78113	1.6
317.45712	1.6
337.54443	1.5
450.17676	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1754
Annotation	CHEMBL559401
Peak:m/z	Relative Intensity
56.97671	0.7
57.03432	0.8
57.21155	0.8
58.59623	0.8
61.02921	1.3
69.03451	7.5
69.03734	1.0
70.06586	1.4
71.04953	1.4
71.30161	0.8
73.02905	2.1
81.03403	5.0
85.02905	15.1
87.04446	4.9
94.83135	0.8
97.02867	7.9
98.06033	3.8
99.04438	5.2
109.02841	1.6
116.07056	2.3
123.04417	31.8
126.05515	0.9
127.03890	5.3
127.10538	0.9
128.07056	8.7
136.06174	1.0
137.05948	5.2
142.08650	1.7
143.04918	7.5
144.06541	7.1
150.09099	1.7
151.76727	0.9
161.04694	3.1
161.05936	28.8
164.07045	70.3
177.00668	1.4
198.11302	3.6
212.54153	1.0
216.12294	1.0
219.97081	1.0
249.15903	1.6
249.89854	1.2
270.11160	1.5
271.06952	1.2
271.09668	22.7
288.09079	1.3
288.12289	14.8
318.09558	7.5
321.08395	1.9
332.13187	1.2
348.13101	1.5
449.67407	1.0
450.17407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.04130	0.4
57.81136	0.5
58.06610	100.0
58.34270	0.5
59.38889	0.5
68.68055	0.5
70.06587	0.7
70.79278	0.5
74.54657	0.6
81.03393	1.1
84.08140	0.6
85.02886	1.1
91.05476	1.1
97.02828	0.7
99.04478	0.8
103.75993	0.5
107.04990	0.6
110.94729	0.5
124.07603	0.7
125.05998	0.7
125.43587	0.5
145.20525	0.6
153.05460	1.0
161.04413	0.6
170.08231	0.6
192.56720	0.5
192.71852	0.6
285.07520	0.7
288.12137	0.8
331.11871	2.1
400.13794	0.7
418.15012	2.1
432.16525	15.2
450.17520	18.8
468.90643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.176
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.37306	0.8
61.02921	1.5
69.03439	9.0
71.04983	1.2
81.03410	1.8
84.94781	1.2
85.02901	12.6
87.04488	1.4
90.05558	22.6
93.18569	1.1
97.02885	5.6
103.16708	1.1
107.04990	1.9
109.02890	1.6
113.27856	1.2
123.04416	38.3
127.03881	1.9
130.64339	1.3
131.04945	1.2
137.05994	4.6
143.04910	10.2
149.06013	1.2
161.05971	36.6
164.07050	83.8
199.00551	1.6
271.09625	21.9
286.10889	2.2
288.12195	20.0
333.31384	1.2
341.11816	1.2
342.26416	1.2
349.47305	1.2
450.17514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37675	0.3
63.21567	0.3
79.34605	0.3
80.53493	0.3
110.03506	0.3
116.28071	0.3
181.01952	0.3
277.26657	0.3
288.05658	0.4
292.09497	0.6
294.11295	0.5
307.12076	0.4
308.12784	13.0
320.09131	2.6
320.12817	2.8
321.09979	1.3
322.10733	7.1
336.12268	22.7
337.13071	33.6
352.15421	100.0
450.19214	33.7
466.36871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37675	0.3
63.21567	0.3
79.34605	0.3
80.53493	0.3
110.03506	0.3
116.28071	0.3
181.01952	0.3
277.26657	0.3
288.05658	0.4
292.09497	0.6
294.11295	0.5
307.12076	0.4
308.12784	13.0
320.09131	2.6
320.12817	2.8
321.09979	1.3
322.10733	7.1
336.12268	22.7
337.13071	33.6
352.15421	100.0
450.19214	33.7
466.36871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53414	0.6
87.60027	0.5
117.75911	0.6
161.53780	0.6
163.34854	0.7
187.83345	0.7
208.79588	0.8
308.12808	14.7
319.08240	0.8
320.09393	1.3
320.12747	1.4
322.10779	7.8
336.12262	22.7
336.15958	1.1
337.13049	31.8
352.15421	100.0
370.55383	0.7
445.20499	0.7
450.19250	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37675	0.3
63.21567	0.3
79.34605	0.3
80.53493	0.3
110.03506	0.3
116.28071	0.3
181.01952	0.3
277.26657	0.3
288.05658	0.4
292.09497	0.6
294.11295	0.5
307.12076	0.4
308.12784	13.0
320.09131	2.6
320.12817	2.8
321.09979	1.3
322.10733	7.1
336.12268	22.7
337.13071	33.6
352.15421	100.0
450.19214	33.7
466.36871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22316	0.2
60.26891	0.3
71.14978	0.3
74.76528	0.3
77.54352	0.4
80.19017	0.4
82.26303	0.3
124.34148	0.3
130.96822	0.3
136.07811	0.3
175.77612	0.3
202.53499	0.3
234.28065	0.3
251.03943	0.4
287.08377	0.4
292.09714	9.3
304.09631	1.9
306.07489	2.6
307.08368	0.4
319.08432	0.5
320.09164	14.0
321.09958	27.9
322.10605	0.5
334.10754	0.5
336.12292	100.0
450.19165	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08948	0.4
58.72361	0.4
60.15631	0.4
63.84230	0.3
83.15849	0.5
142.35703	0.4
143.27969	0.5
172.50226	0.5
213.38457	0.5
308.12827	14.4
320.12762	2.7
322.10745	9.7
334.10837	1.1
336.12277	21.0
337.13071	35.2
352.15439	100.0
450.19266	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35075	0.5
50.64423	0.5
56.27764	0.5
56.88818	0.6
57.12390	0.5
58.06594	1.0
61.42016	0.5
73.62711	0.5
77.12749	0.5
81.53461	0.6
204.17889	0.7
251.78618	0.6
290.08255	0.6
292.09613	5.8
306.07556	1.2
308.12900	0.8
318.07578	1.0
319.08554	0.9
320.09167	66.6
321.05896	1.0
321.09833	12.7
322.10242	4.6
328.09668	0.9
334.10770	3.7
335.11002	1.1
336.12280	100.0
346.10672	5.2
348.08414	2.1
362.10126	8.3
390.13510	1.0
450.19632	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84943	0.5
58.06610	6.4
58.06868	0.7
62.77717	0.4
80.95068	0.5
86.38964	0.5
97.23017	0.4
112.03056	0.5
126.52322	0.5
134.91908	0.5
136.31001	0.5
282.08118	0.5
290.08090	2.2
292.09741	2.1
304.06027	1.1
308.12830	1.2
318.07693	3.4
319.08362	13.3
320.09155	20.9
321.09982	5.2
322.10654	2.9
334.10703	26.6
335.11182	2.1
336.12274	100.0
418.16403	2.7
450.19534	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11889	0.4
64.00919	0.4
65.10154	0.4
73.09824	0.4
86.27959	0.4
92.21550	0.8
133.08037	0.5
142.40396	0.4
292.09482	3.2
300.64255	0.6
306.07880	0.6
308.13000	0.5
320.09189	12.7
321.09943	8.6
322.10672	2.6
335.11407	0.7
336.12280	100.0
402.54459	0.5
438.26041	0.5
450.19113	42.9
463.28818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86579	0.4
55.25751	0.4
68.47618	0.5
70.43874	0.5
86.35098	0.4
86.80077	0.4
104.68318	0.4
114.09401	0.5
121.09623	0.4
171.55701	0.4
176.06975	0.5
186.25854	0.4
223.55740	0.5
292.09714	10.8
295.00720	0.4
304.09894	1.1
306.07608	2.4
320.09140	12.4
321.09955	30.4
336.12283	100.0
346.73376	0.5
350.65741	0.5
382.22733	0.5
395.58792	0.4
433.46695	0.5
450.19122	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87716	0.3
56.22159	0.2
57.20943	0.2
155.49637	0.3
172.55566	0.3
176.65416	0.3
226.61575	0.3
275.09451	0.5
278.08029	0.5
292.09656	10.7
304.09619	1.6
306.07599	3.3
320.09174	12.1
321.09946	30.2
334.10645	0.5
336.12277	100.0
432.18195	0.6
450.19104	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36825	0.6
100.46555	0.5
102.20419	0.5
139.65619	0.5
171.03830	0.5
204.86789	0.5
234.50102	0.6
240.23170	0.5
292.09613	10.2
303.35425	0.5
304.09534	0.6
306.07660	2.8
320.09158	10.9
321.06079	1.0
321.09924	32.9
336.12271	100.0
450.19089	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
58.06587	4.2
69.03426	18.5
71.04991	2.3
81.03427	2.1
81.07014	2.2
85.02505	1.7
85.02912	23.7
87.04459	16.0
97.02892	16.0
99.04443	3.0
99.82309	2.0
107.04959	62.1
109.02879	2.4
115.03915	21.2
121.06470	12.5
124.07577	2.2
125.05936	2.6
127.03936	7.7
133.04912	11.4
133.74646	1.8
137.05923	4.5
139.03903	10.6
145.04962	4.7
145.06471	18.3
150.07584	2.4
153.05461	16.1
159.04405	15.3
163.07579	3.7
167.06984	2.3
168.06439	2.8
170.70380	1.7
177.05431	17.3
187.07655	2.8
187.76732	2.2
190.08632	21.2
192.10226	3.4
193.10495	4.6
210.05777	3.6
235.09662	2.9
253.08487	3.7
256.06314	3.8
270.16971	2.0
271.09598	38.6
288.12283	23.2
382.17371	2.1
450.17459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
58.06587	4.2
69.03426	18.5
71.04991	2.3
81.03427	2.1
81.07014	2.2
85.02505	1.7
85.02912	23.7
87.04459	16.0
97.02892	16.0
99.04443	3.0
99.82309	2.0
107.04959	62.1
109.02879	2.4
115.03915	21.2
121.06470	12.5
124.07577	2.2
125.05936	2.6
127.03936	7.7
133.04912	11.4
133.74646	1.8
137.05923	4.5
139.03903	10.6
145.04962	4.7
145.06471	18.3
150.07584	2.4
153.05461	16.1
159.04405	15.3
163.07579	3.7
167.06984	2.3
168.06439	2.8
170.70380	1.7
177.05431	17.3
187.07655	2.8
187.76732	2.2
190.08632	21.2
192.10226	3.4
193.10495	4.6
210.05777	3.6
235.09662	2.9
253.08487	3.7
256.06314	3.8
270.16971	2.0
271.09598	38.6
288.12283	23.2
382.17371	2.1
450.17459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	34.7
61.02930	17.9
61.82762	1.4
61.84704	1.5
69.03433	40.6
71.05003	2.7
73.02514	4.1
73.02918	97.3
74.02438	2.3
75.41438	1.7
81.03410	9.0
85.02907	100.0
86.09681	14.3
87.04459	7.2
87.10039	2.7
91.03950	4.3
92.88522	1.7
97.02890	75.6
97.03485	3.6
99.04466	3.9
103.03922	2.9
107.04942	23.6
109.02894	10.0
110.37075	1.8
114.05540	2.2
115.03935	49.8
117.06986	2.5
121.06502	97.2
127.03899	31.8
132.06525	2.0
133.04973	11.2
145.04968	26.6
145.06487	15.2
150.07611	8.0
159.04390	4.2
159.08081	8.3
163.06038	11.8
163.07541	2.7
166.05263	4.0
175.07541	11.5
177.05505	7.2
179.07109	2.9
187.07552	34.0
205.08580	22.9
217.08580	4.5
223.06068	3.4
229.08647	10.1
235.09689	8.7
241.07195	7.9
247.09663	15.0
253.10791	2.1
259.07974	14.7
265.10837	17.7
271.09586	17.8
288.12280	8.8
295.10214	21.8
301.12845	13.6
318.15411	4.1
336.04834	2.3
440.53763	2.0
450.18045	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25889	0.3
93.06894	0.3
97.50694	0.3
119.83734	0.2
127.03809	0.5
132.34898	0.3
136.06084	0.3
149.05902	0.3
152.28554	0.3
160.06036	1.3
169.04836	0.4
172.06134	1.9
198.07643	0.5
209.08034	0.5
254.13881	0.4
264.12308	0.3
272.14963	0.5
282.13467	5.2
289.63126	0.3
300.14536	32.3
318.15601	100.0
323.11606	0.3
339.11121	0.4
449.11700	0.3
450.14825	1.4
450.20032	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60773	0.6
56.77959	0.7
60.05661	5.6
61.51941	0.6
70.06596	32.7
74.35690	0.7
81.03419	2.9
84.28308	0.9
85.02926	0.7
86.09725	1.3
98.06059	1.1
98.71568	0.9
112.07624	3.8
112.08722	12.2
114.10271	3.3
116.07104	1.0
121.06528	1.2
140.08182	4.7
141.17256	0.7
142.08623	1.1
153.13881	1.6
158.09312	0.9
166.02592	0.8
173.14006	1.6
175.10637	0.8
175.11897	6.8
181.13358	8.8
183.46501	0.8
196.09644	4.0
212.12733	0.9
214.10762	4.9
216.12083	1.1
226.09207	7.9
227.13907	17.5
229.15457	3.7
232.11853	7.7
244.10310	6.0
248.07899	1.1
257.16125	1.1
269.15976	1.1
270.11310	1.6
271.17612	3.7
288.20380	6.9
295.17664	1.4
316.12628	0.9
319.16180	1.0
330.21393	1.5
337.17380	8.1
355.18665	6.8
366.70984	0.8
367.19922	1.3
379.19717	1.0
406.19812	0.9
414.23413	1.3
432.24878	1.0
450.25562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
57.03438	4.8
57.07072	4.3
58.06593	1.4
67.05507	18.0
69.07058	5.1
70.06590	13.9
71.08627	2.0
72.04512	2.5
72.08147	1.6
79.05501	10.7
81.07060	22.5
83.08610	2.3
84.08140	5.3
84.99889	1.0
86.09717	5.4
86.34747	1.0
87.91531	0.9
89.06035	5.9
91.05473	6.0
92.97540	1.0
93.07030	17.1
94.64613	0.9
95.08604	15.7
97.06577	1.0
97.10188	1.3
97.25860	1.0
98.98468	36.8
105.07031	6.2
107.08577	13.0
109.10156	8.2
114.09177	4.4
114.72587	0.9
117.07037	1.5
119.08581	4.5
121.10140	13.6
123.11702	3.7
131.08565	4.2
132.10193	4.8
133.10147	5.0
135.11688	8.7
145.10098	4.5
146.11780	4.2
147.11766	4.1
149.13283	5.2
155.01036	11.8
157.05244	1.0
159.11688	2.3
161.13226	2.3
163.14827	4.7
173.02115	5.2
173.13266	4.0
176.12845	6.6
187.14865	1.1
190.14421	5.9
212.23766	5.3
213.04118	1.1
238.25261	5.0
240.26845	1.3
241.80028	1.1
243.21054	8.2
256.26343	5.0
261.22116	21.0
300.28925	22.2
317.24606	1.2
335.25769	20.3
344.31564	64.6
350.10092	1.1
365.12289	1.5
388.34354	7.9
415.22418	5.7
422.19711	1.7
450.37875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.5
55.26806	4.2
57.03441	4.2
59.52649	4.1
63.28064	3.5
63.52142	3.5
67.05489	33.6
69.07093	9.3
70.06583	8.4
79.05502	25.3
81.07068	58.0
83.08625	6.6
85.78840	4.0
88.40919	4.4
91.05473	17.2
93.07036	39.5
95.08614	47.5
98.98479	79.8
105.07063	6.7
107.08600	30.0
109.10159	19.8
119.08604	5.8
121.10143	29.8
123.11694	6.0
123.52482	4.0
131.08557	8.6
132.10213	6.1
132.49263	4.7
135.11717	27.5
145.10098	6.9
146.11768	9.7
147.11713	9.1
155.01025	35.5
159.11681	10.8
163.14728	8.1
173.02098	7.3
173.13248	4.8
220.89185	4.5
243.21158	18.0
256.26340	8.2
261.22098	62.1
300.28940	86.7
335.25809	68.9
388.34448	26.3
401.17661	4.6
415.22473	19.4
450.37936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48993	0.8
53.46894	0.8
55.05513	2.2
57.03446	2.2
57.07079	4.2
67.05509	13.6
69.07061	5.7
70.06590	12.3
70.45316	0.9
72.04508	5.2
72.08155	1.2
79.05496	8.5
79.31797	0.9
81.07064	17.5
83.08610	1.9
84.08145	2.3
86.09700	6.8
89.06025	4.3
91.05471	2.5
92.24094	1.2
93.07052	16.1
93.97634	0.9
95.08598	13.9
98.98470	24.5
105.07018	2.0
106.03101	1.0
107.08589	8.7
109.10165	6.3
111.77384	0.9
114.09213	7.3
119.08575	5.5
121.10166	9.5
123.11726	2.0
131.08586	2.2
133.10115	2.5
135.11673	7.1
145.10149	2.2
147.11662	2.1
149.13275	5.5
155.01041	11.7
159.11617	2.1
161.13332	1.4
163.14819	2.1
173.02167	7.4
173.13278	1.3
176.12837	9.5
190.14389	8.3
212.23726	4.2
238.25351	4.9
240.26761	1.7
242.11728	1.3
243.20911	7.8
256.26202	2.2
261.22055	20.2
276.77509	1.4
294.46851	1.2
300.28949	1.3
319.08237	1.1
320.09006	1.0
334.10788	1.9
335.25836	25.0
344.31570	92.9
350.10172	1.7
364.48898	1.0
365.12604	6.3
415.22433	5.7
422.19754	4.6
450.18329	3.3
450.23767	4.7
450.37875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84575	0.7
55.01868	0.8
55.05516	11.7
57.03434	1.5
59.04983	0.9
67.05518	10.2
69.03428	4.7
69.07069	1.4
71.59238	0.9
79.05484	6.4
81.07072	6.6
83.04981	1.1
83.08625	17.1
89.61218	0.9
90.63797	0.9
91.05460	1.0
93.07070	3.8
97.10168	57.0
98.98482	1.0
101.68211	1.1
107.08597	15.2
109.10173	4.6
111.08091	1.6
125.09629	80.8
135.08025	7.8
143.10675	4.5
144.82755	1.0
153.09048	7.6
157.83163	1.0
171.10146	11.4
189.11211	47.4
207.20038	1.0
227.12767	90.0
233.70764	1.1
245.13824	35.4
320.09152	5.9
322.10327	1.5
334.10590	1.3
338.13708	4.6
397.22092	14.6
409.14264	1.3
415.23254	100.0
450.19131	5.8
450.32867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84575	0.7
55.01868	0.8
55.05516	11.7
57.03434	1.5
59.04983	0.9
67.05518	10.2
69.03428	4.7
69.07069	1.4
71.59238	0.9
79.05484	6.4
81.07072	6.6
83.04981	1.1
83.08625	17.1
89.61218	0.9
90.63797	0.9
91.05460	1.0
93.07070	3.8
97.10168	57.0
98.98482	1.0
101.68211	1.1
107.08597	15.2
109.10173	4.6
111.08091	1.6
125.09629	80.8
135.08025	7.8
143.10675	4.5
144.82755	1.0
153.09048	7.6
157.83163	1.0
171.10146	11.4
189.11211	47.4
207.20038	1.0
227.12767	90.0
233.70764	1.1
245.13824	35.4
320.09152	5.9
322.10327	1.5
334.10590	1.3
338.13708	4.6
397.22092	14.6
409.14264	1.3
415.23254	100.0
450.19131	5.8
450.32867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29450	0.8
65.04533	0.9
71.45226	0.8
85.02894	1.5
89.04216	1.0
90.05568	1.0
97.18905	0.9
100.64697	0.9
108.81062	0.9
119.90056	0.9
126.85223	0.9
140.14880	1.1
188.57971	1.1
209.71754	1.1
222.81372	1.0
288.09879	1.1
303.09146	1.7
319.08313	1.0
415.91312	1.0
451.12119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29450	0.8
65.04533	0.9
71.45226	0.8
85.02894	1.5
89.04216	1.0
90.05568	1.0
97.18905	0.9
100.64697	0.9
108.81062	0.9
119.90056	0.9
126.85223	0.9
140.14880	1.1
188.57971	1.1
209.71754	1.1
222.81372	1.0
288.09879	1.1
303.09146	1.7
319.08313	1.0
415.91312	1.0
451.12119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15439	0.3
56.77459	0.3
56.79573	0.3
58.06590	0.5
61.53718	0.4
65.11540	0.4
66.64279	0.3
120.84096	0.5
132.14102	0.5
137.05974	0.7
151.51913	0.4
226.49257	0.4
246.24509	0.5
278.08176	0.6
306.07538	0.8
307.08456	2.6
308.09122	0.6
310.07037	1.7
320.08932	0.9
322.10355	0.8
334.06918	0.7
334.10544	0.5
336.12299	3.2
337.12546	3.9
421.11392	0.7
423.13245	0.9
436.10562	0.6
451.12854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09368	1.3
66.77717	1.5
72.65010	1.3
101.46194	1.6
202.89023	1.6
277.06961	2.0
290.07953	6.3
291.08820	2.5
305.06689	8.3
306.07465	2.4
307.08011	2.8
318.03690	9.8
319.07901	3.3
320.09186	23.2
321.09521	67.2
322.10312	9.8
331.08173	2.0
332.09064	7.9
333.06317	27.9
334.07153	5.1
334.10498	5.8
335.10995	6.3
336.04910	2.7
336.12112	3.7
337.12540	11.2
347.11392	5.9
348.04922	1.9
348.08658	46.6
349.09161	8.9
360.08792	11.4
361.09152	8.0
364.11044	1.9
375.10577	3.7
376.11795	19.4
378.12970	2.2
388.07932	3.1
389.08820	3.5
404.11322	39.2
418.97690	2.0
421.13834	1.9
433.13730	4.0
451.14557	100.0
451.19492	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63528	0.5
62.55966	0.6
80.51970	0.7
81.48212	0.7
137.05965	1.5
167.06021	4.4
185.07098	100.0
203.07401	0.7
213.06589	53.1
252.67088	0.7
271.43723	0.7
273.64056	0.7
289.09708	66.7
306.34729	0.7
320.09137	0.9
321.09320	0.8
334.10760	3.3
338.14023	0.7
353.15775	0.9
451.14938	58.0
460.21283	0.7
461.08551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1652
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.29873	0.6
51.23753	0.6
60.61210	0.7
61.25952	0.8
73.04273	0.8
75.45293	0.7
90.77805	0.8
113.60368	0.8
125.97042	0.8
291.09030	2.1
319.08682	1.5
320.09262	3.9
335.11615	4.4
407.14038	1.3
419.14099	5.8
435.13483	4.9
436.14221	52.6
451.16672	100.0
464.34769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29873	0.6
51.23753	0.6
60.61210	0.7
61.25952	0.8
73.04273	0.8
75.45293	0.7
90.77805	0.8
113.60368	0.8
125.97042	0.8
291.09030	2.1
319.08682	1.5
320.09262	3.9
335.11615	4.4
407.14038	1.3
419.14099	5.8
435.13483	4.9
436.14221	52.6
451.16672	100.0
464.34769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87841	1.3
58.06614	2.2
60.60625	1.4
62.47457	1.3
69.03427	3.2
70.06590	2.2
71.05005	3.2
79.05506	17.0
81.03436	3.6
81.07066	73.7
83.04982	3.6
85.02904	9.6
97.02907	11.5
99.04458	3.6
101.06017	2.1
109.02895	9.2
118.82885	1.4
122.59853	1.7
125.05064	3.3
125.05994	100.0
127.03902	13.2
136.09323	1.4
141.46873	1.4
153.05466	83.7
171.06493	23.5
213.07558	3.0
247.06334	1.8
279.08649	3.2
297.09671	21.0
305.09164	2.0
315.10757	29.8
451.11578	5.7
451.16800	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
79.24310	0.3
81.07093	0.5
93.07023	0.5
95.08659	0.6
123.08059	0.4
171.66850	0.4
251.00760	0.4
292.09637	8.5
304.09668	1.8
306.07712	3.6
320.09180	11.8
321.09924	33.8
336.12271	100.0
337.12564	3.0
338.13400	0.7
349.36713	0.4
352.15402	0.7
353.15958	3.5
372.33923	0.4
451.18472	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
63.04640	0.4
65.34435	0.4
66.31626	0.4
79.05465	0.4
81.07043	0.8
82.35199	0.4
91.05435	0.4
97.10107	0.5
99.04433	0.5
107.08575	0.7
109.06474	0.5
119.08606	0.6
121.06459	2.7
121.10081	0.7
122.06773	1.0
129.98334	0.4
131.08627	0.4
131.62415	0.5
133.10123	0.8
149.05907	0.5
164.10686	0.6
292.09650	9.1
304.09616	2.7
306.07535	2.0
320.09161	10.8
321.06088	0.9
321.09933	32.4
336.12274	100.0
387.20297	0.6
404.18469	0.8
442.14041	0.5
451.18616	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88786	0.5
56.97864	0.5
67.05482	0.7
102.98354	0.6
121.06496	0.6
123.62132	0.6
137.05972	3.3
209.83725	0.7
277.18204	1.2
292.09653	9.2
304.09790	0.9
306.07690	3.4
320.09183	10.4
321.06140	1.0
321.09949	32.3
336.12283	100.0
352.08087	1.1
358.78146	0.6
451.18631	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06904	1.8
59.69494	2.1
62.06099	20.4
75.53876	2.6
81.03412	20.3
84.04509	15.3
85.02907	4.6
85.50257	2.6
96.04513	3.3
97.02888	12.5
98.05995	2.4
99.04433	21.9
109.02886	15.3
110.06033	34.4
111.04443	31.5
114.05545	3.3
125.07111	5.5
126.05499	13.0
127.03955	3.4
127.15747	2.6
128.07076	100.0
130.05028	5.4
130.08638	24.8
134.05965	9.5
141.03557	2.6
142.05002	4.7
148.07553	55.9
152.07098	3.9
164.07037	10.4
172.06042	5.8
174.07620	73.6
176.07071	83.8
182.08287	2.6
191.10341	3.7
192.06543	39.0
194.08093	4.3
208.05991	3.6
220.06017	32.1
226.10739	14.7
235.10789	17.0
238.07121	13.7
239.91762	2.5
270.11288	4.8
271.11588	10.3
276.54300	2.6
281.11304	14.9
336.10651	3.2
354.60690	3.3
358.26834	3.1
397.15952	42.4
415.17163	64.0
433.18204	31.1
451.11954	57.7
451.19077	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65079	0.3
53.83602	0.2
59.22186	0.2
63.32603	0.2
66.45177	0.2
87.42368	0.3
91.05496	0.4
93.07050	1.2
103.05457	1.1
121.06506	100.0
137.05995	0.5
138.09145	34.2
146.06059	0.6
147.06390	0.4
155.49490	0.4
156.50607	0.3
164.07104	0.3
165.07465	0.4
188.88622	0.3
256.07196	0.4
283.00629	0.3
289.12650	0.6
344.47662	0.3
351.27585	0.3
433.16928	0.6
451.18390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.8
56.96572	4.0
61.69455	0.8
69.09930	0.9
72.42579	1.0
81.07051	4.2
93.07027	2.1
95.08605	1.5
107.08598	1.8
109.10164	1.7
116.98705	0.8
119.08629	1.5
121.10117	1.4
131.08679	1.1
135.11609	0.9
159.11745	0.9
173.50211	0.8
245.10699	1.2
317.17877	100.0
335.18909	43.4
353.20203	1.8
358.20493	2.1
391.21536	27.1
433.33313	1.0
451.23651	5.5
451.31659	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	13.2
55.05524	11.2
57.03438	8.0
57.07080	11.3
65.09001	1.6
67.05511	31.6
68.17034	1.6
69.07073	43.7
71.05016	2.7
71.08631	11.7
78.67262	1.5
79.05502	13.9
79.84230	1.5
81.07064	36.3
83.04984	3.8
83.08627	26.5
83.91759	1.4
91.05466	2.9
93.07044	26.9
95.04982	1.8
95.08621	35.3
97.06543	6.9
97.10178	9.8
98.98470	44.0
107.08610	20.1
109.06640	1.7
109.10165	24.7
111.08083	4.2
118.12933	1.5
119.08566	3.9
121.10166	17.5
123.11692	4.2
131.08617	2.3
135.08057	2.0
135.11713	21.5
137.13289	2.4
139.40503	1.8
141.12630	1.9
145.10173	2.7
149.09636	1.8
149.13304	2.6
153.12750	34.6
155.01019	7.8
161.13177	1.5
163.14815	2.3
164.19141	1.7
169.15897	2.1
173.02155	6.9
183.13820	9.1
233.22560	2.2
243.21178	1.9
251.23758	1.9
261.22321	3.7
272.95297	1.6
279.23209	37.2
304.51514	1.7
353.26877	100.0
411.67474	1.9
421.29309	4.2
433.23428	48.0
433.28940	3.5
451.24258	2.2
451.30133	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.0
56.05050	3.2
56.79190	3.5
58.99542	3.3
67.05506	16.4
69.07082	39.3
75.31447	3.7
79.05490	15.3
81.07067	96.4
83.08626	22.6
84.26194	3.8
93.07053	26.2
95.04945	4.7
95.08601	21.5
107.08576	29.2
109.10148	31.2
119.08597	5.7
121.10125	7.2
135.11699	7.8
161.06000	3.8
168.13881	5.3
183.11462	4.3
184.68045	3.9
211.07556	21.2
213.09091	5.3
221.09711	4.4
225.09077	28.1
227.10599	5.8
235.07478	17.3
235.11110	5.9
237.09093	15.8
239.10559	6.0
249.09085	100.0
250.09755	4.2
251.10556	7.8
253.08716	6.6
253.12393	5.7
257.08173	4.2
263.10669	23.9
263.13947	5.5
265.12347	13.2
265.93530	4.4
267.13824	7.3
271.09564	16.4
276.11432	9.4
277.08661	22.0
277.11926	12.3
279.13776	24.8
291.10635	4.3
291.13782	40.2
295.09610	24.0
295.12918	4.8
299.13089	4.4
304.10580	4.2
304.14429	4.4
305.15265	28.5
309.11261	8.0
309.14755	4.1
311.12723	4.4
313.14236	7.4
319.13208	9.5
325.14395	5.9
333.37198	4.1
335.12552	5.1
337.14227	38.7
347.20056	22.3
375.19342	6.4
393.20575	54.9
405.37723	3.7
433.24356	4.9
451.24536	34.0
451.34021	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.4
57.50325	3.7
58.12991	4.4
58.21177	4.6
67.05506	47.7
69.03455	5.4
69.07066	8.9
69.24742	4.3
79.05495	50.7
81.07059	61.7
83.04982	76.8
83.08617	21.9
91.05466	21.0
93.07040	57.4
95.04985	5.8
95.08607	36.2
97.10187	5.0
99.67130	5.1
101.20723	4.8
101.75761	4.2
105.07044	20.0
107.08600	55.1
109.10186	12.1
111.04452	43.3
119.08516	5.9
121.10118	36.9
123.11709	6.5
125.09629	6.0
133.10135	25.1
135.11710	26.6
139.03941	6.4
145.10077	8.6
145.58769	5.7
147.11678	8.3
149.13283	7.3
161.09494	4.9
203.52910	6.5
277.21466	36.4
320.09186	8.1
350.20081	8.1
368.21115	8.2
405.26309	21.4
410.22324	8.4
433.26013	7.0
436.14078	10.5
451.16449	33.0
451.26971	100.0
471.05801	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27478	2.5
55.05515	11.7
55.67867	2.5
58.74883	2.3
59.63062	2.4
67.05503	29.6
69.07059	29.2
79.05445	3.8
81.07054	17.7
83.04985	3.4
83.08627	2.8
86.09718	5.1
91.05482	4.7
93.07054	38.1
95.04957	3.6
95.08604	22.0
105.07044	5.8
107.08605	15.0
109.10146	55.8
119.08610	2.8
121.10121	15.3
123.11703	7.0
124.54850	3.7
135.11641	4.8
161.05928	3.4
173.09612	3.9
185.09738	4.7
187.07542	5.0
199.03969	6.1
199.07484	7.0
201.05525	4.9
201.09007	5.0
211.07439	5.6
213.05632	3.1
213.09120	19.1
215.10732	11.7
220.65266	3.1
227.07011	4.2
227.10620	12.5
229.08751	4.0
237.12773	5.2
240.11433	3.2
241.08553	45.7
241.12227	13.1
253.12157	13.0
255.13736	12.6
257.15268	4.4
261.11389	7.3
265.12067	4.1
267.13821	18.7
269.15274	13.6
271.69974	3.1
273.11185	100.0
279.13699	12.5
281.11743	3.8
283.13199	4.0
293.15030	4.7
295.13318	17.6
297.15054	3.5
301.14301	5.2
307.16931	5.4
313.14026	3.9
320.75992	3.0
325.14191	3.4
327.15927	15.9
329.17438	61.6
335.16406	3.8
335.20087	11.5
337.21533	3.3
339.22552	3.4
363.19495	5.7
371.22018	21.0
382.21332	18.4
383.22452	3.7
392.03159	3.4
395.22348	28.9
418.31943	3.0
423.24768	4.0
451.27554	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.5
57.03440	7.7
57.07079	13.4
66.41739	5.3
67.05503	33.3
69.07063	37.3
79.05493	14.2
81.07071	47.8
83.04985	10.1
83.08633	25.0
93.07053	47.8
95.04977	14.5
95.08598	38.7
97.06525	9.0
98.98471	39.2
105.07030	31.2
107.08611	46.4
109.06522	73.7
109.10165	24.9
111.08056	7.5
119.08571	29.8
121.06516	11.0
121.10171	24.9
123.08051	12.3
125.05960	7.4
125.09627	9.4
131.08594	10.8
133.10136	9.8
135.08066	14.8
135.11691	25.2
137.05933	8.1
137.09662	9.4
143.08577	12.3
145.10162	12.1
147.08054	9.0
149.09555	8.2
151.07530	13.4
153.12756	12.1
157.10149	8.6
159.11690	10.0
163.11151	50.5
167.07053	14.1
167.92287	6.3
169.10231	7.4
171.11635	9.2
177.12700	7.2
183.11681	12.4
197.13315	8.7
199.11156	11.0
201.12759	8.6
207.13835	9.6
213.12572	7.1
215.14371	10.0
223.13309	32.1
231.13855	8.7
261.22223	8.8
279.23242	14.5
349.21439	8.4
353.26956	100.0
433.23181	14.0
439.90378	8.3
451.16830	7.6
451.28488	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.1
56.65614	3.8
67.05511	31.0
69.07081	30.1
70.70194	3.8
79.05506	5.8
81.07059	26.6
83.08632	16.0
93.07035	10.1
95.08617	21.0
105.07082	5.2
105.71479	4.3
107.08616	20.6
108.25011	4.1
109.10162	58.4
111.87806	3.4
119.08585	4.1
121.10166	20.6
123.11702	14.9
133.10104	5.3
135.11740	7.5
171.08029	5.8
185.09761	5.0
187.07520	18.9
199.07491	6.5
201.09163	8.0
211.07593	4.9
213.09129	22.3
225.09067	16.5
227.10689	32.5
241.08556	5.5
246.42592	4.1
251.10815	5.3
253.12263	8.0
255.13805	25.9
261.11264	7.2
267.10489	4.3
267.13773	18.4
269.12262	4.7
269.15256	33.9
281.11609	5.0
281.15427	7.8
285.11334	5.5
293.15381	4.9
294.01035	5.5
295.13458	8.0
297.14838	10.3
309.14951	5.4
313.14240	6.8
315.15683	4.4
321.18658	5.0
325.14343	6.2
327.16190	8.1
329.17523	64.6
335.19794	15.6
363.19415	15.6
367.19049	20.3
391.26471	4.9
393.20493	8.1
395.22299	15.1
405.24228	7.0
409.23538	4.9
433.23550	6.4
451.28952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.4
67.05545	0.7
69.07075	1.0
79.02672	0.5
81.07096	0.9
83.08681	0.6
84.35882	0.5
86.09709	100.0
88.11274	0.9
92.20863	0.7
95.08604	2.8
105.59615	0.5
107.08600	1.0
109.10130	1.4
110.90572	0.6
121.10202	0.7
125.66265	0.5
147.69388	0.7
154.12228	2.3
160.70847	0.6
186.54558	0.6
196.16855	0.8
348.32629	18.4
366.75122	0.7
376.32056	23.1
451.35641	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.1
55.11327	1.7
56.09508	1.6
57.07093	3.0
57.57478	1.6
64.14919	1.8
67.05505	18.0
69.07068	12.5
72.97478	2.0
79.05493	8.5
81.07063	34.6
83.08612	9.8
89.56583	1.8
91.05489	8.0
93.07039	15.7
95.08610	43.5
97.10182	3.7
101.59304	2.0
105.07028	10.0
107.08608	13.0
109.10159	21.6
110.64918	2.0
117.03269	2.0
119.08580	13.5
121.10162	21.1
123.11770	3.6
131.08543	8.0
133.10175	8.6
135.11684	12.0
137.13373	2.2
143.08569	2.4
145.10162	9.0
147.11708	3.1
149.09665	2.2
149.13278	10.0
154.12253	16.4
159.11681	3.8
163.14842	2.2
171.11659	2.2
171.14958	8.3
173.13278	3.1
175.14819	4.5
187.14830	2.3
219.59279	2.4
259.07953	2.2
268.03580	2.4
289.16101	2.0
398.34277	9.5
399.32550	20.6
416.35138	28.5
417.33618	12.7
433.37756	4.4
434.36255	25.3
451.13022	3.1
451.26117	2.3
451.38953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.0
55.33931	1.4
57.07103	1.3
57.35504	1.3
60.43684	1.8
67.05515	27.8
69.07071	11.9
79.05498	9.8
81.07063	51.0
83.08626	14.5
91.05482	7.1
93.07030	16.4
95.04971	2.2
95.08614	48.3
97.06554	2.4
97.10175	3.2
105.07034	18.7
107.08596	16.5
109.10170	32.0
111.11754	2.4
117.07031	2.9
119.08586	16.9
119.81606	1.8
121.06489	1.9
121.10140	27.1
123.11720	9.5
125.09620	2.5
131.08568	8.5
133.10129	10.1
135.11737	14.4
135.12703	1.6
136.67126	1.8
145.10175	12.8
147.11708	9.5
149.13301	9.6
157.10110	2.6
159.11688	9.4
161.13264	2.7
173.13327	3.6
174.16086	1.7
175.14911	2.3
179.29126	1.8
189.16551	2.0
371.33325	2.6
381.31613	3.8
398.34177	8.9
399.32596	19.6
416.35205	37.6
417.33701	12.0
433.38211	14.5
434.36368	30.4
451.38916	100.0
470.56995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76382	0.3
77.19466	0.4
81.44899	0.4
85.02897	1.0
97.02908	0.6
99.04426	1.7
117.05520	0.4
121.06502	5.5
125.06009	0.5
164.07004	0.6
175.06242	0.9
178.08640	0.5
192.06622	0.5
192.10181	4.4
239.49466	0.4
250.08583	0.7
273.11209	0.9
290.13852	1.6
301.80243	0.5
316.10013	0.4
330.11206	0.6
332.09164	1.7
333.09772	0.8
334.10785	0.9
346.10870	1.5
347.11417	0.5
348.12292	34.5
360.08511	4.3
360.12518	0.5
374.10220	0.8
375.10873	0.5
379.10388	1.8
388.11737	2.5
392.11090	3.6
406.12830	2.5
434.12457	2.4
452.13382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44611	0.3
53.86665	0.3
62.92355	0.3
70.75191	0.3
71.30891	0.3
84.67232	0.4
89.64851	0.4
91.23908	0.4
121.06516	0.9
122.57248	0.4
128.91699	0.3
182.39961	0.4
185.11275	0.4
188.07021	0.4
254.00598	0.4
291.08847	0.5
292.09683	5.9
304.09595	1.7
306.07535	1.9
308.08951	0.5
310.10797	0.8
320.09076	5.9
320.12436	0.7
321.04218	0.5
321.09952	12.9
322.10461	1.4
326.10199	2.0
331.11896	0.5
334.10703	1.9
336.12253	35.3
339.10800	0.5
346.10849	0.7
348.12244	13.9
354.09613	2.4
354.13385	1.9
378.09674	0.9
379.10480	1.8
408.10507	0.9
420.14853	0.4
436.10104	4.0
437.11139	0.4
452.13242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87485	0.4
53.44930	0.5
85.40041	0.5
89.71156	0.5
95.00085	0.5
102.19820	0.5
104.90412	0.5
121.06522	1.3
161.12067	0.6
210.43680	0.7
225.19806	0.6
259.41693	0.6
276.48215	0.6
292.09689	8.7
304.09592	1.3
306.07498	3.7
319.11679	0.9
320.09113	11.2
321.09921	18.2
322.10779	0.9
334.10693	1.3
336.12280	53.7
338.10129	0.8
339.10812	0.9
347.11447	0.6
348.12238	13.8
354.09656	1.7
354.13300	3.8
376.31601	0.6
378.09402	0.9
434.18234	0.6
436.10150	5.1
452.13211	100.0
452.26373	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91528	0.1
52.62809	0.1
56.71790	0.1
57.21280	0.1
60.29068	0.1
60.80628	0.1
66.07272	0.1
67.79570	0.1
67.83322	0.1
69.66617	0.1
70.70120	0.1
74.01673	0.1
75.02402	0.1
83.26698	0.1
87.02419	0.1
104.41757	0.1
105.67741	0.2
150.04683	0.3
152.06299	0.2
158.59598	0.1
160.02089	0.2
163.05510	0.5
176.06343	0.2
177.05733	0.2
177.71869	0.1
178.06516	0.3
190.06578	0.3
191.07243	1.0
192.07806	0.1
204.08084	0.3
205.08824	0.1
206.06018	0.3
208.07477	0.1
216.08182	0.1
219.06841	0.3
220.07610	1.0
221.08260	0.1
232.07684	0.2
233.08247	0.3
234.09055	0.2
235.06293	0.2
236.06844	0.3
247.10100	0.2
248.06914	0.2
249.07793	0.2
250.08556	0.5
262.08725	0.2
275.09457	0.3
276.06543	0.2
278.08087	1.9
279.08600	0.8
291.09055	0.3
292.09653	9.5
294.11334	0.6
304.09647	1.5
306.07635	2.6
307.08450	0.3
308.12851	0.8
318.07327	0.2
319.08371	0.6
320.06033	0.2
320.09137	15.1
321.09927	21.5
322.10614	0.5
334.10620	1.0
335.11301	0.2
336.12259	100.0
411.12610	0.1
452.13141	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
81.46049	0.7
116.62853	0.6
154.13884	0.7
188.31953	0.7
292.09613	4.1
294.07574	3.0
294.10883	0.8
307.08194	1.0
308.08853	0.8
320.09167	40.6
321.09814	4.9
322.10565	3.9
326.10333	1.2
334.10535	1.0
336.12292	13.3
337.12662	1.1
338.09686	0.9
348.12357	12.6
354.09338	1.3
354.13147	1.3
365.08356	0.8
378.09674	1.2
379.10391	0.7
417.12711	0.7
436.10312	1.4
452.13220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64454	0.9
51.02374	1.0
53.88678	0.9
55.42843	0.8
56.95620	0.9
58.53839	1.1
74.01582	1.1
75.02345	1.7
95.72767	0.9
150.04645	1.6
152.06194	1.4
163.05342	3.8
175.54916	1.0
176.06317	1.2
178.06500	4.8
179.07028	1.1
190.04869	1.6
190.06462	3.9
191.07317	10.9
192.07928	1.8
204.08072	3.9
206.05927	1.8
219.06819	2.0
220.07617	7.9
221.07928	1.8
233.08136	1.6
235.06186	2.1
236.07246	1.1
248.07117	1.2
249.07925	1.6
250.08522	4.3
260.07147	1.2
262.08533	1.8
263.05664	1.8
276.06580	1.8
278.08096	15.9
279.08575	6.3
290.07986	11.3
291.08542	1.2
292.09692	17.8
293.09946	1.3
294.11224	7.3
295.11414	1.2
302.08060	1.9
304.06000	9.0
304.09302	2.8
305.94067	1.1
306.07431	5.5
308.12567	1.1
318.07532	11.5
319.04611	2.2
319.08347	50.2
320.09088	20.4
321.09872	36.3
322.10504	2.2
334.07266	4.0
334.10690	100.0
336.12253	97.2
349.09381	3.9
452.13162	75.2
477.23083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64454	0.9
51.02374	1.0
53.88678	0.9
55.42843	0.8
56.95620	0.9
58.53839	1.1
74.01582	1.1
75.02345	1.7
95.72767	0.9
150.04645	1.6
152.06194	1.4
163.05342	3.8
175.54916	1.0
176.06317	1.2
178.06500	4.8
179.07028	1.1
190.04869	1.6
190.06462	3.9
191.07317	10.9
192.07928	1.8
204.08072	3.9
206.05927	1.8
219.06819	2.0
220.07617	7.9
221.07928	1.8
233.08136	1.6
235.06186	2.1
236.07246	1.1
248.07117	1.2
249.07925	1.6
250.08522	4.3
260.07147	1.2
262.08533	1.8
263.05664	1.8
276.06580	1.8
278.08096	15.9
279.08575	6.3
290.07986	11.3
291.08542	1.2
292.09692	17.8
293.09946	1.3
294.11224	7.3
295.11414	1.2
302.08060	1.9
304.06000	9.0
304.09302	2.8
305.94067	1.1
306.07431	5.5
308.12567	1.1
318.07532	11.5
319.04611	2.2
319.08347	50.2
320.09088	20.4
321.09872	36.3
322.10504	2.2
334.07266	4.0
334.10690	100.0
336.12253	97.2
349.09381	3.9
452.13162	75.2
477.23083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64454	0.9
51.02374	1.0
53.88678	0.9
55.42843	0.8
56.95620	0.9
58.53839	1.1
74.01582	1.1
75.02345	1.7
95.72767	0.9
150.04645	1.6
152.06194	1.4
163.05342	3.8
175.54916	1.0
176.06317	1.2
178.06500	4.8
179.07028	1.1
190.04869	1.6
190.06462	3.9
191.07317	10.9
192.07928	1.8
204.08072	3.9
206.05927	1.8
219.06819	2.0
220.07617	7.9
221.07928	1.8
233.08136	1.6
235.06186	2.1
236.07246	1.1
248.07117	1.2
249.07925	1.6
250.08522	4.3
260.07147	1.2
262.08533	1.8
263.05664	1.8
276.06580	1.8
278.08096	15.9
279.08575	6.3
290.07986	11.3
291.08542	1.2
292.09692	17.8
293.09946	1.3
294.11224	7.3
295.11414	1.2
302.08060	1.9
304.06000	9.0
304.09302	2.8
305.94067	1.1
306.07431	5.5
308.12567	1.1
318.07532	11.5
319.04611	2.2
319.08347	50.2
320.09088	20.4
321.09872	36.3
322.10504	2.2
334.07266	4.0
334.10690	100.0
336.12253	97.2
349.09381	3.9
452.13162	75.2
477.23083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44611	0.3
53.86665	0.3
62.92355	0.3
70.75191	0.3
71.30891	0.3
84.67232	0.4
89.64851	0.4
91.23908	0.4
121.06516	0.9
122.57248	0.4
128.91699	0.3
182.39961	0.4
185.11275	0.4
188.07021	0.4
254.00598	0.4
291.08847	0.5
292.09683	5.9
304.09595	1.7
306.07535	1.9
308.08951	0.5
310.10797	0.8
320.09076	5.9
320.12436	0.7
321.04218	0.5
321.09952	12.9
322.10461	1.4
326.10199	2.0
331.11896	0.5
334.10703	1.9
336.12253	35.3
339.10800	0.5
346.10849	0.7
348.12244	13.9
354.09613	2.4
354.13385	1.9
378.09674	0.9
379.10480	1.8
408.10507	0.9
420.14853	0.4
436.10104	4.0
437.11139	0.4
452.13242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
78.78543	1.8
89.15096	1.9
92.20950	2.4
97.96615	2.0
185.48184	2.4
202.56818	2.5
233.08093	3.0
255.15752	2.7
288.10162	2.8
289.10968	2.5
292.09573	4.5
294.11032	2.7
317.10376	4.7
320.09116	4.2
321.09915	23.0
322.10767	9.5
323.11554	19.1
324.08673	14.0
329.10269	2.9
331.11914	8.6
332.09207	4.4
332.12839	4.3
334.10831	3.5
336.12289	80.7
338.10208	15.5
338.13861	39.6
339.10812	20.8
346.10779	3.3
348.12265	8.6
359.11630	4.2
360.12448	3.0
362.10297	4.2
374.10233	9.2
375.11069	3.5
376.08026	14.8
378.13242	3.6
390.09586	10.6
391.10489	60.0
404.11154	2.9
405.11978	30.0
406.12808	62.7
408.10849	8.9
434.12430	100.0
452.13321	84.6
452.20609	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68658	0.2
51.02382	0.3
56.06981	0.3
63.02373	0.5
63.28979	0.2
68.33928	0.3
74.01572	0.4
75.02385	0.3
77.77234	0.3
111.35464	0.3
140.04903	0.4
150.04619	0.6
152.06113	0.4
163.05374	0.3
169.06355	0.3
176.06180	0.3
178.06436	0.5
190.06554	1.2
191.07278	1.9
192.07845	0.5
204.07994	1.1
206.05949	0.6
212.04558	0.3
219.06833	0.5
220.07523	2.1
221.08112	0.5
226.43076	0.3
233.08148	0.5
234.08983	0.4
235.06039	0.4
236.06885	0.4
248.06984	0.6
249.07756	0.6
250.08571	1.3
262.08615	0.5
263.05899	0.5
275.09686	0.4
278.08066	4.2
279.08688	1.8
291.08939	0.4
292.09634	8.8
294.11206	1.5
304.09641	1.3
305.10001	0.3
306.07452	1.9
308.12845	0.6
320.09164	13.3
321.09915	21.3
321.65851	0.3
322.10681	0.4
334.10577	0.4
336.12262	100.0
342.34296	0.3
452.12735	6.3
452.17166	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02553	0.4
60.54951	0.4
62.91470	0.5
63.52244	0.4
64.12588	0.5
69.39252	0.4
79.86094	0.5
117.48149	0.5
135.34886	0.7
223.08253	0.6
264.10266	1.9
265.10999	1.2
280.09677	94.3
292.09729	0.7
294.11261	1.3
320.09134	1.1
321.09982	2.5
322.10736	3.1
323.11499	3.5
336.12195	7.4
338.13840	12.2
338.17453	0.9
348.12228	0.7
354.05914	0.7
406.12842	12.2
408.14630	2.3
420.15097	0.6
422.12506	1.0
436.13867	2.9
437.14786	2.4
452.17105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82871	0.8
70.88245	0.8
87.76858	0.8
89.46792	0.8
90.78999	0.9
111.27399	0.9
133.91245	0.8
182.33282	0.9
199.50739	0.9
254.89682	0.9
280.09686	50.4
292.09641	14.4
306.07617	3.7
319.08316	1.0
320.09137	15.5
321.09933	30.2
336.12283	100.0
349.35431	0.9
406.12888	5.1
432.58334	1.2
452.17081	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82871	0.8
70.88245	0.8
87.76858	0.8
89.46792	0.8
90.78999	0.9
111.27399	0.9
133.91245	0.8
182.33282	0.9
199.50739	0.9
254.89682	0.9
280.09686	50.4
292.09641	14.4
306.07617	3.7
319.08316	1.0
320.09137	15.5
321.09933	30.2
336.12283	100.0
349.35431	0.9
406.12888	5.1
432.58334	1.2
452.17081	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10917	0.9
67.05492	1.3
105.06985	1.2
146.59273	0.9
165.05498	1.1
173.09526	1.3
174.10371	11.2
174.40909	1.0
175.03954	1.1
175.07585	1.1
175.11244	1.3
187.07550	3.9
188.08345	7.1
190.09947	1.5
191.06990	2.1
191.10693	1.1
192.06543	2.1
202.09891	1.9
204.07939	18.6
205.12228	48.1
207.06505	2.1
212.08273	1.9
215.10667	4.6
218.08090	6.3
219.06509	5.8
219.10153	19.7
225.08795	1.3
228.07742	3.7
229.08661	1.5
230.09476	6.8
231.06491	3.8
233.11751	12.6
243.10202	9.0
246.08807	7.9
246.11275	18.0
258.46729	1.0
261.11203	100.0
368.11264	2.2
377.76196	1.0
435.64423	1.0
452.16660	5.5
452.28116	1.5
452.38693	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78093	0.2
63.54153	0.2
67.93042	0.2
80.39243	0.2
87.84523	0.2
227.69547	0.3
275.09314	0.4
292.09671	11.9
302.14978	0.5
304.09665	2.5
306.07614	4.2
319.08191	0.4
320.09186	13.6
320.16010	0.5
321.09949	36.2
334.10623	0.6
336.12292	100.0
452.12286	15.4
452.18027	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65573	0.2
58.48777	0.2
71.29637	0.2
89.11035	0.2
96.70044	0.2
109.83361	0.2
120.20800	0.2
128.01437	0.2
165.41714	0.2
179.67429	0.2
236.36931	0.2
278.07974	1.4
290.08026	0.5
292.06534	0.4
292.09680	10.7
304.06320	0.3
304.09586	2.2
306.07629	3.3
307.08295	0.3
318.07660	0.8
319.08362	3.5
320.09140	12.5
321.09943	32.8
334.10709	6.3
336.12283	100.0
452.17258	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41645	1.1
76.17611	1.2
106.63451	1.4
107.86811	1.3
114.71626	1.4
148.05196	2.4
149.05984	17.7
162.05418	2.2
175.06305	2.9
176.07037	30.3
177.07828	6.6
184.22139	1.3
185.09616	25.3
192.06548	35.1
194.08136	7.1
200.08319	6.3
201.09105	1.8
213.09076	18.2
214.72034	1.3
215.10692	2.3
220.89978	1.5
229.08522	3.0
243.10146	40.3
263.87149	1.3
271.09525	10.9
272.44888	1.3
292.09689	6.2
294.11157	9.6
308.09155	2.6
309.01941	1.4
320.09152	7.4
321.10062	9.4
322.10760	9.6
323.11505	35.6
336.12289	36.4
338.13831	100.0
452.16705	67.6
452.21173	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42372	0.3
58.06595	0.3
61.46402	0.3
68.84100	0.3
90.69851	0.3
99.04425	0.5
105.75180	0.4
109.53106	0.4
112.43018	0.4
125.73733	0.4
171.65581	0.4
217.44682	0.4
291.09140	0.4
292.09665	16.9
294.07645	0.5
304.09662	3.1
306.07559	5.5
320.09155	18.1
321.09930	31.5
322.10751	0.5
323.11356	0.6
326.09894	0.5
334.10712	0.6
336.12268	100.0
338.09955	0.5
338.13809	1.3
348.12259	4.2
354.13425	1.5
377.60175	0.5
379.10608	0.4
420.14612	0.5
436.10104	0.7
452.12939	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36443	0.1
51.40907	0.1
54.31106	0.1
66.16652	0.1
74.01595	0.2
75.02354	0.2
76.92236	0.1
81.75707	0.1
92.62637	0.2
115.65135	0.2
150.04625	0.2
163.05373	0.3
178.06509	0.3
190.06363	0.2
191.07304	0.9
192.07863	0.2
198.47287	0.1
204.08089	0.6
205.05179	0.2
206.05969	0.3
207.06651	0.3
219.06656	0.2
220.07469	1.2
221.08052	0.3
233.08490	0.2
234.09180	0.3
235.06303	0.5
236.06850	0.2
250.08578	0.7
275.09195	0.2
278.08014	2.4
279.08530	0.7
290.08047	0.3
292.09659	9.8
294.11197	0.6
295.11575	0.3
304.09549	1.7
305.10666	0.3
306.07562	3.1
308.12662	0.2
319.08200	1.2
320.09152	13.0
321.09937	28.5
322.09988	1.1
323.11993	0.2
334.10760	1.5
335.11276	0.3
336.12277	100.0
337.12891	0.2
364.11783	0.3
393.13022	0.2
452.17331	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98974	0.7
59.81354	0.8
71.95259	0.9
79.08617	0.9
128.05017	1.0
156.04414	1.7
160.03941	3.6
165.05504	3.5
167.08707	1.1
174.05354	2.0
186.05496	3.8
195.08038	4.8
242.11726	4.1
260.12799	13.1
288.12469	1.5
307.08585	0.9
317.06891	1.5
320.09155	4.0
321.09766	1.4
348.04977	11.0
362.06613	2.1
362.13846	3.8
373.12958	1.2
388.15369	3.7
390.13306	11.8
416.14975	1.9
418.13019	4.5
419.13574	9.9
434.15979	100.0
452.16998	69.9
452.38681	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41645	1.1
76.17611	1.2
106.63451	1.4
107.86811	1.3
114.71626	1.4
148.05196	2.4
149.05984	17.7
162.05418	2.2
175.06305	2.9
176.07037	30.3
177.07828	6.6
184.22139	1.3
185.09616	25.3
192.06548	35.1
194.08136	7.1
200.08319	6.3
201.09105	1.8
213.09076	18.2
214.72034	1.3
215.10692	2.3
220.89978	1.5
229.08522	3.0
243.10146	40.3
263.87149	1.3
271.09525	10.9
272.44888	1.3
292.09689	6.2
294.11157	9.6
308.09155	2.6
309.01941	1.4
320.09152	7.4
321.10062	9.4
322.10760	9.6
323.11505	35.6
336.12289	36.4
338.13831	100.0
452.16705	67.6
452.21173	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11972	0.9
57.57217	0.9
70.02225	0.9
71.04210	0.9
73.99265	0.7
75.65830	0.8
93.07076	0.9
99.04464	0.9
100.77946	0.9
118.36471	0.9
137.05989	1.0
176.07066	30.5
188.08328	1.4
203.10713	1.3
204.06520	1.7
292.09711	7.5
306.07602	2.0
316.09607	1.8
318.11295	1.9
320.09109	10.3
321.09891	24.8
329.14297	1.1
331.11990	1.5
333.09613	1.1
334.10745	3.8
336.08588	51.6
336.12311	86.2
338.13431	1.6
345.13593	3.9
346.10803	11.1
346.14789	1.2
347.11398	1.8
348.08548	1.3
348.12427	1.9
359.11365	1.8
360.16022	3.5
362.10165	24.4
362.14084	5.1
363.11038	10.4
364.11893	2.0
366.13358	13.7
373.13113	3.6
375.14450	6.8
376.11667	7.2
378.16776	4.8
388.15408	60.6
390.13443	1.8
391.14172	17.1
406.16525	100.0
424.13196	3.1
424.18097	3.4
434.16025	34.5
452.13351	38.2
452.20587	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1914
Annotation	Pseudolycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.92528	0.6
58.06609	9.6
59.06940	0.8
60.61330	0.4
69.03422	2.3
70.06609	2.1
71.03838	0.5
79.05500	2.6
81.03413	1.4
81.07049	5.1
85.02896	1.4
87.04466	1.1
91.05462	1.0
93.07024	3.9
95.04940	0.8
96.04488	3.2
97.02889	3.0
98.06059	1.1
99.04443	1.1
107.04956	3.4
109.02885	1.0
115.03953	1.2
117.05447	0.6
120.76718	0.6
121.06506	100.0
123.09077	0.6
125.05999	9.2
126.05521	2.5
127.03946	0.7
136.89337	0.6
137.05989	0.7
138.09166	0.7
140.07024	5.2
140.28760	0.5
144.06595	2.4
145.23495	0.6
149.80043	0.6
150.09125	3.8
153.05487	5.2
178.08577	0.8
192.10347	0.8
216.10266	0.9
221.48592	0.7
234.09700	1.4
241.08621	0.9
246.11320	1.1
255.01712	0.7
264.12289	2.9
273.11136	2.5
290.14127	0.8
421.29712	0.6
426.97067	0.6
434.18048	35.9
436.14243	0.6
452.19073	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1912
Annotation	Pseudolycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.08762	0.3
56.67925	0.4
58.06606	0.3
58.67512	0.4
73.43334	0.4
73.66088	0.4
75.82847	0.4
79.05481	2.5
81.07060	8.4
85.02892	1.7
91.05469	0.8
93.07029	4.7
96.04482	0.5
97.02894	1.0
98.06062	0.7
99.04426	0.5
103.05464	2.2
107.04964	3.8
108.04468	3.2
121.06499	100.0
122.06020	6.0
125.04721	1.6
125.05980	9.9
126.05507	16.9
127.03950	0.6
144.06583	0.9
148.07581	4.2
150.09123	2.4
153.05458	5.2
171.06590	0.5
176.07001	0.5
246.11229	6.2
253.89943	0.4
264.12311	2.5
279.26569	0.4
282.13187	1.0
296.11328	0.9
416.17148	6.4
434.18085	33.5
452.13510	1.9
452.19135	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92528	0.6
58.06609	9.6
59.06940	0.8
60.61330	0.4
69.03422	2.3
70.06609	2.1
71.03838	0.5
79.05500	2.6
81.03413	1.4
81.07049	5.1
85.02896	1.4
87.04466	1.1
91.05462	1.0
93.07024	3.9
95.04940	0.8
96.04488	3.2
97.02889	3.0
98.06059	1.1
99.04443	1.1
107.04956	3.4
109.02885	1.0
115.03953	1.2
117.05447	0.6
120.76718	0.6
121.06506	100.0
123.09077	0.6
125.05999	9.2
126.05521	2.5
127.03946	0.7
136.89337	0.6
137.05989	0.7
138.09166	0.7
140.07024	5.2
140.28760	0.5
144.06595	2.4
145.23495	0.6
149.80043	0.6
150.09125	3.8
153.05487	5.2
178.08577	0.8
192.10347	0.8
216.10266	0.9
221.48592	0.7
234.09700	1.4
241.08621	0.9
246.11320	1.1
255.01712	0.7
264.12289	2.9
273.11136	2.5
290.14127	0.8
421.29712	0.6
426.97067	0.6
434.18048	35.9
436.14243	0.6
452.19073	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14309	0.7
50.41955	0.7
50.50843	0.7
59.55431	0.7
84.33607	0.9
121.83652	0.9
129.38493	0.9
191.46115	0.9
236.30972	0.9
292.09583	6.0
294.11212	8.0
306.11252	1.2
307.08499	1.3
308.09207	2.0
311.98151	0.9
320.09143	7.8
321.09848	20.1
322.10651	28.4
323.11511	30.3
336.12286	87.4
338.10641	1.0
338.13843	75.4
452.20645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01168	0.4
51.41052	0.4
51.48682	0.4
68.64799	0.5
112.09049	0.6
118.06577	0.6
120.08071	2.0
130.80804	0.6
131.04916	2.5
135.04449	0.7
148.07581	1.1
149.05986	11.3
161.05978	4.6
163.37630	0.6
173.52348	0.6
174.05528	0.7
176.07065	95.9
178.08609	9.6
200.11986	3.1
202.09894	2.4
203.10722	0.6
216.11436	10.7
229.12263	0.8
231.13759	9.8
259.13309	22.7
269.11758	0.8
269.76907	0.6
287.12772	5.3
292.09595	4.0
306.07639	0.8
308.09146	0.8
320.09210	7.2
321.09802	12.3
322.10004	7.7
323.11459	3.2
336.09305	1.1
336.12283	45.3
338.13885	7.0
452.14047	3.7
452.20636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12919	0.8
67.07312	0.8
75.46303	0.9
97.56853	0.9
99.41956	0.9
134.04021	1.1
181.12212	1.7
219.03560	1.0
239.47388	1.0
292.09814	8.1
294.11307	10.1
306.07660	2.0
308.09262	2.0
320.09177	11.9
321.09897	26.1
322.10489	9.7
323.11560	28.1
336.12308	100.0
337.12851	1.0
338.13861	70.5
352.15594	2.0
452.20746	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
79.96568	0.7
100.44460	0.7
121.06535	0.8
149.06064	0.9
155.84375	0.7
159.26067	0.8
167.07137	1.1
185.09689	0.9
192.06691	1.5
213.09142	1.1
239.34714	0.7
243.10207	1.0
246.10748	0.9
280.10001	0.7
291.08838	1.0
292.09650	7.5
294.10760	1.0
304.09964	1.3
306.07867	3.3
308.12936	3.9
316.07813	0.8
320.09094	11.1
321.09940	26.7
321.13428	1.2
322.10699	4.4
323.11380	5.6
336.12274	100.0
337.12982	9.0
338.13553	11.4
352.15405	22.7
390.91245	0.9
416.24527	1.0
437.18640	1.0
452.13864	4.0
452.20837	62.1
479.42593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70822	0.6
57.44286	0.7
58.02235	0.7
61.65073	0.8
96.98711	0.9
107.63963	1.1
107.87903	0.8
159.05363	0.8
206.28900	1.1
229.43997	0.8
292.09680	5.4
294.11163	13.5
306.07831	0.9
306.11206	1.6
308.09116	5.5
320.09198	6.8
321.09903	17.0
322.10773	12.5
323.11505	38.8
336.12302	64.3
338.13846	100.0
352.15137	1.6
452.20667	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74198	0.6
92.79298	0.8
95.71275	0.7
106.48341	0.7
134.74054	0.7
154.24352	0.7
228.76901	0.9
278.78281	0.9
292.09732	4.5
294.11197	8.7
306.07690	1.0
306.11212	1.7
308.09213	5.0
320.09244	4.1
321.10010	13.9
322.10675	14.8
323.11505	39.0
324.11761	0.9
327.96652	0.8
336.12299	43.4
337.12827	1.3
338.13824	100.0
352.15625	1.3
392.15060	0.9
400.64215	0.8
408.42764	0.8
412.56604	1.0
452.20682	81.2
459.30481	0.8
467.81314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47739	0.3
61.67423	0.4
63.57666	0.3
70.06578	0.5
72.08159	9.5
80.46371	0.4
80.54464	0.4
81.82033	0.4
84.08154	0.6
87.05576	2.3
90.05591	0.4
91.05479	3.3
91.85909	0.4
107.04965	0.6
119.04967	4.6
121.06454	0.7
122.19341	0.4
128.13681	0.4
128.73331	0.5
129.10239	18.1
129.11176	0.7
133.06085	12.5
136.07582	100.0
137.05998	1.6
147.04396	2.0
157.09731	2.3
164.07048	0.7
174.05847	2.0
220.06134	0.6
236.43787	0.4
275.13922	2.3
279.09796	2.7
296.12408	24.1
320.16028	7.8
390.62912	0.4
434.20331	0.8
452.21472	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.6
57.03445	10.0
57.07091	5.3
63.79415	4.7
67.05510	65.6
69.07074	25.0
79.05504	20.6
81.07069	76.3
83.08610	29.3
89.05993	5.4
91.05457	7.5
92.21021	7.4
92.50532	5.3
93.07049	23.6
95.08614	73.4
97.06532	8.9
97.10172	7.4
98.98477	96.7
107.08589	22.5
109.10147	33.9
119.08579	6.6
121.10138	23.0
123.11700	22.7
133.10153	7.0
134.46057	5.7
145.35828	5.4
147.11671	9.7
155.01050	100.0
169.94904	5.1
173.02097	8.3
240.19737	6.6
245.22638	28.1
263.23706	80.9
263.50943	5.6
271.32758	5.5
293.78540	5.0
336.12476	6.1
337.27313	90.9
417.23972	22.3
452.33154	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2766
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
55.05520	18.4
57.03439	11.3
57.07066	6.2
67.05514	32.7
69.07072	23.4
69.25326	1.4
71.05034	1.4
71.08624	3.0
79.05479	11.4
81.07061	43.5
83.08619	18.3
91.05476	7.0
93.07038	12.7
95.08612	46.5
97.06512	5.8
97.10190	11.1
98.98473	30.3
105.07067	2.9
107.08595	9.1
109.10148	20.2
111.08083	1.8
119.08558	6.2
121.10120	10.5
123.11707	9.6
125.09615	2.2
133.10176	7.5
135.11682	7.8
137.13298	3.6
149.13275	2.6
155.01086	12.6
161.13293	2.3
163.14751	2.0
173.02090	6.9
175.14825	2.3
245.22595	3.2
263.23758	18.8
269.69031	1.4
311.25851	17.7
325.28275	1.7
337.27362	100.0
340.11798	2.8
377.67929	1.5
380.11234	1.6
417.23709	2.5
422.15567	1.9
452.20160	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.277
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
51.35246	1.6
55.05527	15.4
57.03445	15.7
57.07086	3.3
58.06612	4.0
67.05511	41.4
68.00803	1.9
68.64974	2.2
69.07085	27.5
79.05502	12.8
81.07062	65.5
83.08603	20.1
91.05486	8.8
93.07052	12.4
95.08622	57.3
97.06535	3.2
97.10167	12.0
98.98479	58.1
105.07027	4.5
107.08584	14.0
109.10169	25.7
116.86119	2.1
119.08599	3.9
120.49561	2.1
121.10131	12.6
123.11732	11.1
133.10149	9.0
135.11674	8.3
137.13252	4.8
147.11699	3.2
149.13284	2.1
155.01048	43.4
161.13223	3.5
173.02075	10.5
194.26851	2.4
226.07922	1.8
245.22687	7.8
263.23688	33.6
265.98978	2.0
270.77240	2.2
311.25800	4.3
337.27386	100.0
382.17014	2.3
417.23813	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68716	0.6
51.05569	0.7
51.68776	0.6
52.13254	0.7
53.14261	0.7
55.05524	1.2
57.07092	6.7
57.07314	0.8
67.05489	0.8
71.08638	1.3
81.07048	4.3
83.04969	1.0
83.08620	1.3
89.06038	17.2
95.04957	26.4
95.05509	1.6
95.08606	12.8
104.30817	1.0
107.07063	4.3
107.08587	5.9
109.06516	4.0
109.10175	7.5
111.04439	4.6
115.74889	1.0
119.08578	1.0
121.06474	2.2
123.11684	9.5
133.10132	4.7
135.11728	2.2
137.09618	51.3
145.12247	5.5
151.11180	10.8
155.07022	16.4
157.08580	1.8
161.09624	4.9
163.13246	7.4
173.08058	1.1
179.10658	100.0
193.85091	0.9
197.11703	1.3
217.10660	2.1
255.15923	1.3
273.17059	1.2
290.72531	1.1
317.19662	9.7
435.29715	3.5
435.34686	53.4
452.37527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1364
Annotation	Aspalathin
Peak:m/z	Relative Intensity
50.03107	0.6
51.38424	0.7
51.96119	0.7
53.13092	0.5
54.93986	0.6
59.14240	0.6
65.66962	0.7
77.85988	0.6
139.03743	1.2
157.75983	0.7
163.03836	0.9
169.04738	1.7
177.01605	3.2
192.03928	29.2
192.05562	1.4
193.04716	1.4
283.07953	4.4
307.08093	0.9
308.11545	1.0
422.11884	1.5
453.13660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1369
Annotation	Aspalathin
Peak:m/z	Relative Intensity
68.03244	0.4
76.36244	0.5
79.19708	0.5
91.46771	0.4
94.75271	0.5
97.48389	0.5
99.04462	1.1
129.04366	0.5
139.03683	1.0
163.03934	3.7
169.04695	2.1
169.58495	0.5
176.26724	0.5
177.01610	2.7
181.04776	0.6
183.69679	0.4
192.03931	31.0
193.04732	2.7
233.84584	0.5
241.06778	0.6
251.86623	0.5
258.38867	0.6
267.08673	0.6
283.07919	2.6
307.08353	0.6
308.11612	0.5
422.12244	0.9
453.13660	100.0
468.31195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25729	0.9
53.03952	6.8
55.94585	0.9
69.03431	7.1
71.04995	1.5
73.02921	17.0
73.74580	0.9
81.03419	19.8
84.58125	1.2
84.60285	0.9
85.02901	11.8
87.04476	1.3
89.39723	0.9
95.04939	1.8
97.02882	10.5
99.04455	100.0
112.61034	1.0
117.05446	1.1
127.03925	7.0
147.04446	1.2
148.05128	1.3
151.07565	2.2
166.06206	1.6
167.07033	1.4
168.07864	1.4
175.03911	5.8
175.35063	1.1
176.08406	2.4
179.07036	2.2
180.07722	1.1
181.08589	67.5
188.08385	1.6
192.07822	2.4
193.08476	1.0
195.06651	1.1
195.10143	2.3
204.07835	5.2
205.08658	2.6
207.06454	8.8
207.10126	9.1
211.09560	8.8
214.09915	1.5
215.07027	1.3
219.10228	1.6
220.07249	1.1
221.08070	5.7
223.09622	1.8
231.10291	1.3
235.09546	9.3
237.13367	1.2
238.14085	7.4
242.09573	1.8
243.08549	8.1
243.62410	1.1
247.09683	8.2
273.11084	2.4
277.10703	5.8
284.00055	1.3
291.12183	5.4
301.10696	2.3
319.11823	4.5
334.10873	5.5
337.09247	1.1
337.12686	8.7
435.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.9
53.21764	0.8
55.79985	1.0
60.36875	1.0
61.68159	1.0
67.05516	1.0
67.94321	0.9
69.03423	7.0
71.05003	1.6
73.02916	17.1
81.03431	17.7
85.02905	13.0
93.07009	1.1
96.57251	0.9
97.02901	9.7
99.04453	100.0
109.02891	2.0
124.20827	1.1
127.03896	5.3
145.04964	2.3
151.07518	2.7
175.03804	1.3
175.07515	1.4
176.08376	2.1
179.07031	5.5
180.07927	2.0
181.08588	68.9
188.08366	1.8
192.07822	4.4
195.10196	2.6
204.07843	2.0
205.08560	1.1
207.06523	5.4
207.10103	8.6
211.09683	6.9
219.10258	1.9
220.07211	1.6
221.08046	5.9
223.09697	4.0
231.10072	1.6
232.07373	1.4
235.09666	7.1
235.13313	1.2
242.09393	2.6
243.08670	6.1
247.09674	8.0
259.09680	2.3
263.12650	1.3
270.08823	1.2
273.11148	3.9
277.10757	4.4
291.12280	4.9
301.10617	6.4
309.13245	1.7
319.11783	6.1
334.10846	1.9
337.12906	5.5
401.87799	1.2
435.16330	2.0
453.16196	1.3
468.33203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21562	5.3
67.05478	7.7
69.03422	48.2
69.07077	5.7
70.64254	6.0
79.05476	10.2
81.07060	36.4
83.05012	5.9
85.02911	25.2
86.52925	5.8
87.04473	45.3
91.05497	7.2
93.07034	42.8
95.08592	49.6
97.02886	38.6
105.07014	39.8
107.08603	59.2
109.10147	34.2
111.07986	7.6
115.03935	32.9
119.08561	36.3
121.10138	28.7
123.08086	6.7
123.11760	8.4
125.09697	7.6
131.08557	27.5
133.04953	9.4
133.10109	27.6
135.11696	15.7
143.08559	28.3
145.10124	36.1
147.07912	8.0
147.11732	12.1
155.08546	8.9
157.10094	26.5
159.11716	11.5
161.13235	32.4
169.10040	11.3
171.11623	13.4
173.13251	28.2
175.14815	28.3
183.11671	13.0
185.13217	11.2
187.14749	9.1
195.11583	7.7
197.13179	14.7
199.14836	28.8
209.13258	29.4
211.14796	32.3
213.16399	8.4
225.16364	26.3
239.17929	9.1
243.17860	7.4
246.18376	7.9
265.19479	12.0
267.20950	54.7
283.20642	10.8
285.22070	100.0
298.09323	6.7
310.77127	7.2
320.08981	8.1
320.61133	8.2
329.31104	6.8
363.23242	9.6
381.24036	26.8
387.25430	15.4
399.25427	21.9
405.26593	12.4
417.26285	65.3
435.27594	15.4
437.12115	7.6
453.15741	76.8
453.28430	71.9
453.49298	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.7
57.50121	2.6
60.12541	2.5
67.05515	68.9
69.07066	13.0
73.86012	2.9
79.05512	12.8
81.07067	100.0
83.04991	58.0
83.08640	6.3
91.05421	3.3
93.07040	16.3
94.42559	2.8
95.08612	63.0
97.10154	5.1
105.42266	3.5
107.08595	3.9
109.10173	35.5
111.04448	36.6
119.08555	6.1
121.10178	7.0
123.11729	5.1
133.10168	3.2
135.11703	13.7
137.13251	3.9
139.03960	15.0
145.10141	4.3
147.11678	4.2
149.13260	5.2
157.05032	3.3
207.11813	3.5
221.73192	3.3
276.33319	2.9
279.23126	29.8
319.08371	17.8
320.09021	4.3
334.10730	56.7
352.21613	5.6
407.27805	14.4
412.23260	4.2
435.27429	6.3
435.36188	4.6
453.12949	5.7
453.28619	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	4.3
56.13336	4.1
57.07084	8.8
67.05497	6.1
69.07059	36.5
81.07058	63.8
83.04982	5.6
83.08614	6.4
84.42384	4.6
84.86465	4.6
89.06026	26.2
95.08600	20.7
109.10148	31.7
111.04435	7.3
111.91381	4.9
117.41544	5.8
119.63880	4.4
123.11665	8.3
135.96205	4.9
145.12190	6.4
155.07043	24.4
156.07393	6.0
165.76659	5.2
187.07593	10.7
199.07555	8.7
201.09160	21.4
213.09055	26.4
215.10728	7.9
227.10580	9.1
229.08681	38.2
229.12085	7.3
237.12697	8.2
239.10655	8.6
241.08549	8.6
255.13802	37.9
257.15536	8.3
261.11191	21.5
267.10153	8.6
267.13901	6.7
269.11618	9.3
269.15347	33.5
271.16785	6.4
281.11792	8.4
281.15167	8.3
282.12039	6.8
287.12744	8.5
297.14777	26.3
301.14456	8.0
309.14896	19.6
313.14481	7.5
314.14694	19.8
315.15747	10.5
317.17416	6.7
318.19882	7.5
329.17450	100.0
337.17801	8.0
337.21674	19.7
338.18185	23.7
339.23395	7.3
341.17462	25.9
365.21005	24.7
369.20609	11.0
370.21097	50.0
375.13614	6.5
383.26721	5.7
397.23810	74.3
421.27347	9.4
438.27213	62.7
453.29861	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
51.83187	1.9
52.35756	2.0
55.05513	3.8
56.52778	1.9
56.92414	1.8
57.07067	2.5
57.22176	1.9
60.27331	2.0
67.05494	10.0
69.07067	4.8
70.34768	2.3
79.05500	3.4
81.07053	24.3
83.04993	5.3
83.08634	4.1
91.05479	4.1
93.07026	21.5
95.04977	4.8
95.08608	49.9
98.03435	2.7
98.92419	2.4
105.07028	29.2
107.08594	46.7
109.06512	3.9
109.10150	34.5
111.08068	4.1
119.08578	46.7
121.10142	37.1
123.11713	14.6
125.09614	5.7
131.08575	14.2
132.58488	2.4
133.10133	38.6
135.11647	21.1
137.09636	2.5
140.10750	3.1
143.08505	3.3
145.10123	33.5
147.11752	22.6
149.13261	9.8
151.11264	2.9
157.10030	4.8
159.11705	39.5
161.13283	18.3
163.11121	3.1
163.14818	11.3
173.13260	18.2
174.22568	2.4
175.14809	24.4
177.16383	16.4
185.13242	5.5
187.14815	41.4
189.16388	49.3
191.14310	5.6
191.17931	4.7
199.14801	14.2
201.16389	63.9
203.17982	20.8
205.15865	15.2
213.16429	25.1
215.17966	23.9
217.15897	5.0
217.19473	5.5
219.17450	31.3
227.17932	2.6
229.19504	2.9
231.17374	2.7
235.16939	12.4
243.21010	3.5
247.17006	4.2
261.18640	3.5
267.13507	3.6
267.21002	9.7
277.21838	3.1
320.09149	2.7
389.31934	3.8
391.33493	3.4
407.33093	35.4
409.34753	4.5
412.23358	4.6
435.32553	12.7
453.24768	4.0
453.26691	4.5
453.33707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50829	0.8
62.12700	0.9
66.67213	0.9
69.01882	1.1
69.07093	2.0
73.66708	0.9
79.40717	0.9
96.08119	18.1
113.10779	10.2
114.09161	64.0
132.10283	1.2
136.07336	1.0
208.18140	1.8
209.14500	1.8
209.16472	50.9
226.19159	13.8
227.17599	8.6
228.15976	13.8
253.84709	1.1
269.44260	1.2
277.99084	1.2
321.26721	1.5
322.24860	29.9
337.12811	1.1
339.27509	6.2
340.25989	4.9
435.33386	19.3
453.34354	100.0
467.95102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	24.8
57.07073	12.4
66.82166	4.5
67.05511	35.2
67.10888	5.0
69.07075	44.9
71.04985	25.4
71.08659	7.0
79.05495	8.2
81.07059	60.8
83.08614	50.2
91.05465	11.4
93.07042	26.4
95.08607	47.9
97.10168	22.3
99.04449	9.9
105.07031	8.5
107.08611	9.3
109.10147	40.7
111.08083	31.8
119.08557	23.6
121.10126	6.5
123.11722	6.8
127.02134	5.3
128.10713	21.8
133.10158	21.2
135.11649	8.2
139.07541	35.6
143.08592	6.9
147.11665	10.9
156.10175	50.4
161.13258	8.2
174.11272	47.7
182.19138	6.0
245.22557	6.4
263.23651	13.1
280.26337	25.8
298.27484	6.3
339.82993	6.4
453.16260	32.7
453.36929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37063	2.5
53.11121	2.9
54.14757	2.4
55.05524	6.8
57.07076	4.7
67.05510	33.0
69.07059	14.8
71.08614	2.9
73.49146	3.0
79.05509	3.8
81.07055	29.1
83.04979	6.6
83.08631	14.8
84.08920	4.2
89.06023	15.6
93.07042	15.7
95.08614	34.6
97.10189	3.7
105.07095	5.0
107.08606	14.2
109.10156	26.8
110.09665	3.9
111.04471	18.2
111.08076	14.1
121.10152	15.3
123.11685	6.5
128.10701	18.7
131.08585	5.4
133.10135	5.2
135.11667	7.2
138.09157	6.8
139.03879	4.6
139.07550	46.7
145.12259	4.1
147.11662	4.0
149.13237	4.5
155.03394	3.3
155.07034	15.3
156.07439	6.0
156.10208	100.0
157.05006	4.6
157.08603	4.2
161.13138	3.6
174.11276	68.4
243.21045	4.7
261.22095	25.0
279.22964	4.6
280.26276	14.0
318.19943	4.7
395.48425	3.8
403.02069	3.5
436.30017	5.3
440.04523	4.1
453.27985	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37063	2.5
53.11121	2.9
54.14757	2.4
55.05524	6.8
57.07076	4.7
67.05510	33.0
69.07059	14.8
71.08614	2.9
73.49146	3.0
79.05509	3.8
81.07055	29.1
83.04979	6.6
83.08631	14.8
84.08920	4.2
89.06023	15.6
93.07042	15.7
95.08614	34.6
97.10189	3.7
105.07095	5.0
107.08606	14.2
109.10156	26.8
110.09665	3.9
111.04471	18.2
111.08076	14.1
121.10152	15.3
123.11685	6.5
128.10701	18.7
131.08585	5.4
133.10135	5.2
135.11667	7.2
138.09157	6.8
139.03879	4.6
139.07550	46.7
145.12259	4.1
147.11662	4.0
149.13237	4.5
155.03394	3.3
155.07034	15.3
156.07439	6.0
156.10208	100.0
157.05006	4.6
157.08603	4.2
161.13138	3.6
174.11276	68.4
243.21045	4.7
261.22095	25.0
279.22964	4.6
280.26276	14.0
318.19943	4.7
395.48425	3.8
403.02069	3.5
436.30017	5.3
440.04523	4.1
453.27985	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83280	0.3
67.66621	0.4
68.92282	0.4
82.58297	0.4
98.49704	0.4
262.08582	1.6
273.09821	0.4
277.07297	0.9
290.08051	2.0
292.09653	13.2
295.19058	0.4
307.08340	5.5
308.09152	47.9
318.07571	2.5
320.09164	100.0
323.07919	0.7
323.11429	0.8
336.12122	0.5
337.12506	0.7
338.10034	1.5
338.13605	2.7
454.11310	59.5
466.60715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44090	0.4
88.80609	0.5
124.65728	0.4
136.18648	0.4
165.05482	2.6
172.03908	7.1
181.08498	0.6
190.04991	100.0
218.04500	7.5
261.19635	0.6
277.97894	0.6
307.08267	0.7
317.06335	0.6
318.07562	2.3
319.08447	2.1
320.09100	1.0
322.07056	0.6
334.07129	0.7
334.10779	2.6
334.62891	0.5
338.10211	0.8
344.05472	1.0
346.07401	0.7
347.07959	0.6
349.05692	0.6
350.49884	0.5
359.07764	4.8
362.10251	11.0
364.08112	6.1
374.10233	0.9
390.09702	2.1
392.11115	0.8
408.10812	2.6
418.09241	0.6
436.10275	10.5
454.11279	33.8
454.16342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12614	0.8
53.38221	0.8
55.12748	1.0
58.06601	1.1
60.18143	1.0
71.11689	0.9
75.87165	1.0
84.04698	1.0
90.08553	1.1
98.28629	1.1
118.81634	1.2
175.38408	1.3
199.97188	1.1
301.26627	1.0
320.08984	4.2
396.08545	2.4
410.10236	23.8
422.10245	32.2
424.08359	10.9
438.09711	40.2
439.10471	23.5
454.12820	100.0
454.25812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59568	0.8
53.29026	0.7
57.03448	0.9
58.06607	1.2
61.05646	0.9
69.03432	1.2
70.06586	1.5
71.38883	0.8
73.02930	1.7
74.76842	0.9
83.04980	1.1
83.06673	0.9
85.02921	4.0
87.04483	1.7
91.05482	1.9
97.02937	3.3
99.04470	1.0
99.08257	1.0
107.08587	11.8
110.07117	1.0
115.03919	1.3
119.04924	1.8
125.09631	28.7
126.22953	1.0
131.04883	0.9
147.04448	2.1
156.18808	0.9
164.07118	1.0
175.03912	6.1
176.07150	1.3
194.08209	1.4
207.06570	7.0
230.45767	1.0
331.12057	1.7
332.09015	1.0
333.13684	1.1
344.12857	1.3
346.10776	5.8
347.11765	1.2
349.13016	3.6
350.13760	4.4
362.09970	1.5
362.13974	5.2
363.10947	2.0
364.11618	7.7
364.15680	1.4
372.12305	29.6
375.11026	6.1
390.13330	31.5
393.12308	1.2
408.14420	27.4
436.14197	5.1
454.15036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59568	0.8
53.29026	0.7
57.03448	0.9
58.06607	1.2
61.05646	0.9
69.03432	1.2
70.06586	1.5
71.38883	0.8
73.02930	1.7
74.76842	0.9
83.04980	1.1
83.06673	0.9
85.02921	4.0
87.04483	1.7
91.05482	1.9
97.02937	3.3
99.04470	1.0
99.08257	1.0
107.08587	11.8
110.07117	1.0
115.03919	1.3
119.04924	1.8
125.09631	28.7
126.22953	1.0
131.04883	0.9
147.04448	2.1
156.18808	0.9
164.07118	1.0
175.03912	6.1
176.07150	1.3
194.08209	1.4
207.06570	7.0
230.45767	1.0
331.12057	1.7
332.09015	1.0
333.13684	1.1
344.12857	1.3
346.10776	5.8
347.11765	1.2
349.13016	3.6
350.13760	4.4
362.09970	1.5
362.13974	5.2
363.10947	2.0
364.11618	7.7
364.15680	1.4
372.12305	29.6
375.11026	6.1
390.13330	31.5
393.12308	1.2
408.14420	27.4
436.14197	5.1
454.15036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57158	0.4
58.06614	0.9
69.03427	0.4
70.06583	0.5
71.04943	0.5
81.03397	0.6
81.07080	1.8
83.05019	0.4
93.07005	0.6
93.38489	0.4
97.02908	0.5
99.04453	2.0
107.08531	0.7
121.06475	0.8
137.06007	0.7
145.02852	1.9
153.12703	2.2
164.07045	0.7
177.02928	0.5
177.05499	5.5
177.07870	0.6
177.66124	0.5
178.08678	0.8
189.84497	0.5
213.77129	0.4
217.12239	0.9
278.95132	0.5
293.81049	0.6
318.11252	0.6
320.09061	0.6
322.10867	0.9
323.11386	1.2
331.11893	0.8
332.12726	0.7
333.13721	0.8
338.13800	3.6
346.10788	2.1
347.11441	0.9
349.09106	0.8
349.12769	1.7
350.10037	1.1
350.13882	14.1
362.10165	2.6
362.13882	2.9
363.10928	0.9
364.11829	3.2
364.15744	0.8
372.12253	11.9
375.11093	1.9
376.11810	0.6
377.12317	0.6
390.13370	11.1
394.13052	1.2
408.14432	10.2
410.16129	0.7
418.15146	0.7
436.14529	1.2
454.14923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92355	0.9
53.14756	1.0
54.19638	0.9
58.06612	9.6
59.63031	0.9
69.03430	4.1
70.06631	1.2
82.01083	1.1
85.02940	2.2
87.04482	2.5
97.02905	1.9
115.03934	1.9
134.47714	1.0
142.06541	2.5
144.08182	1.1
160.07549	8.2
187.99886	1.1
322.07114	1.4
322.12967	4.2
339.09760	100.0
354.12103	52.2
359.03305	2.5
363.09552	8.3
365.07568	10.3
369.14471	22.6
378.12326	5.2
380.10086	21.6
394.91919	1.2
395.12738	1.3
407.08878	6.5
422.10959	18.2
424.11551	2.5
437.13657	10.6
439.14120	7.0
454.16501	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47220	0.5
66.09315	0.5
73.09071	0.5
92.21538	1.0
94.36638	0.6
106.76022	0.6
167.40964	0.6
300.12393	2.6
320.96170	0.6
383.11484	4.9
398.17667	0.9
412.11816	1.1
426.17017	17.2
454.16458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
73.70025	1.2
85.31634	1.2
95.75248	1.3
107.58741	1.2
186.11670	1.3
199.01802	1.5
204.33513	1.3
290.08344	2.8
304.06085	2.9
318.07553	11.2
319.08392	40.8
319.11926	2.2
334.10730	82.2
378.11612	1.8
391.12314	1.9
392.12878	23.6
404.12894	8.6
406.10687	26.9
420.12271	49.1
421.13132	14.9
426.75186	1.5
436.15445	30.6
454.16595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45096	0.4
66.93992	0.4
77.44727	0.5
90.67827	0.5
105.15400	0.5
117.56318	0.6
124.17140	0.6
141.88991	0.5
175.44264	0.5
214.68199	0.6
222.80460	0.5
290.08066	8.2
290.75906	0.6
302.08151	2.8
304.06030	6.4
318.07565	10.6
319.08398	42.3
320.09232	1.9
334.10718	77.9
344.09439	0.7
375.12567	0.9
378.11343	2.6
391.11847	2.0
392.12756	22.3
392.17593	1.0
404.12747	9.8
406.10724	26.6
418.11163	0.8
420.12289	49.9
421.13034	17.5
436.15454	29.6
454.16507	100.0
456.76453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00005	0.7
107.08600	0.9
114.81445	0.8
121.06512	1.1
170.08424	0.8
232.33743	0.8
242.67810	0.8
279.08463	0.8
290.08102	7.0
302.08176	1.6
304.06055	5.3
306.00156	0.8
318.07721	9.7
319.08383	40.9
322.10577	1.0
323.11023	1.2
324.11813	3.0
324.77911	0.7
334.10727	79.6
337.12723	1.5
338.13342	3.8
339.14230	9.2
340.56354	0.9
378.11227	3.2
382.13031	3.1
391.11984	1.7
392.12827	18.9
404.12848	11.0
406.10779	27.6
420.12302	48.3
420.18015	1.6
421.13208	18.1
436.15396	33.1
454.16370	100.0
454.48932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74667	0.8
66.89796	0.9
98.01309	0.9
132.28287	1.0
132.85310	0.9
210.85316	1.1
285.61609	1.1
290.08197	5.4
302.07907	2.1
304.06207	6.2
318.07462	8.7
319.08383	38.0
320.09232	4.2
334.10733	73.2
352.11490	1.1
358.73047	1.1
378.11420	1.7
391.12204	1.6
392.12695	18.0
404.08209	1.5
404.12662	9.0
406.10718	27.3
420.12280	44.2
421.13055	12.9
436.15402	26.0
454.16522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32414	0.6
70.06593	0.7
103.80299	0.6
111.91688	0.7
113.91019	0.7
149.05859	0.8
176.07051	13.7
177.05528	0.8
177.54631	0.7
190.04984	0.9
205.04886	2.5
290.08105	10.1
294.11121	1.0
302.08130	1.6
304.06015	8.8
318.07614	11.0
319.08386	51.2
320.09183	2.9
322.10672	2.7
323.11429	4.5
324.11627	3.0
325.12088	4.2
334.10736	100.0
336.12225	0.9
337.12555	1.1
338.13824	11.4
339.14197	3.9
340.14407	6.9
348.04996	1.4
350.10168	1.0
368.11246	1.2
404.94232	0.9
408.10938	1.6
454.16336	47.2
454.21829	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32414	0.6
70.06593	0.7
103.80299	0.6
111.91688	0.7
113.91019	0.7
149.05859	0.8
176.07051	13.7
177.05528	0.8
177.54631	0.7
190.04984	0.9
205.04886	2.5
290.08105	10.1
294.11121	1.0
302.08130	1.6
304.06015	8.8
318.07614	11.0
319.08386	51.2
320.09183	2.9
322.10672	2.7
323.11429	4.5
324.11627	3.0
325.12088	4.2
334.10736	100.0
336.12225	0.9
337.12555	1.1
338.13824	11.4
339.14197	3.9
340.14407	6.9
348.04996	1.4
350.10168	1.0
368.11246	1.2
404.94232	0.9
408.10938	1.6
454.16336	47.2
454.21829	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11518	0.9
53.14918	0.8
67.05508	1.0
68.74107	1.0
79.65321	0.9
81.07011	1.1
95.08618	1.3
104.39025	1.0
109.10098	1.2
121.06449	1.5
121.10139	1.2
149.09541	1.2
161.35071	1.2
246.43900	1.2
290.08011	6.4
302.08038	1.8
304.06079	7.2
318.07590	7.5
319.08340	38.0
324.11688	3.9
334.10718	81.6
338.13416	2.1
339.14111	8.1
378.10806	2.4
392.12839	24.8
404.12668	8.4
406.10696	31.8
420.12277	48.9
421.13110	18.5
436.15363	33.8
454.16281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42793	1.1
56.86753	0.8
57.03432	1.7
58.66209	1.1
69.03422	10.7
81.03421	5.1
85.02913	25.9
97.02866	9.4
99.04470	1.5
109.02909	6.5
113.02357	15.5
117.07030	2.8
127.03908	16.6
137.06013	6.6
145.04988	2.4
145.06512	23.3
151.07576	2.8
156.70024	1.2
160.07620	2.2
163.07535	43.4
180.10187	58.8
299.23730	1.1
301.21057	1.2
303.17093	1.2
446.53741	1.6
454.17117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.0
58.06603	1.7
59.05012	1.2
61.02922	0.9
66.22538	0.7
69.03436	25.6
71.04998	1.0
73.02937	0.8
77.20141	0.7
81.03415	3.1
83.04984	1.2
85.02914	24.0
86.46749	0.7
87.04462	19.4
90.04697	0.7
97.02897	20.1
99.04452	2.7
101.02438	1.0
103.03964	0.7
111.04449	1.0
115.03936	15.0
115.04680	1.0
115.05438	1.1
115.90570	0.7
118.28252	0.8
124.04992	0.8
127.03968	3.4
132.08064	1.2
133.04991	4.8
142.06531	22.7
142.07558	1.2
143.07329	3.5
144.08095	9.7
145.05070	0.9
158.06042	2.9
159.06816	4.9
160.07576	65.9
184.07535	0.8
202.08595	0.8
274.10770	0.8
322.12857	23.4
322.16351	1.3
323.27173	0.9
339.09860	1.7
354.12158	0.9
378.11554	0.8
397.25076	0.8
454.17148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01614	3.2
55.01883	94.3
55.73026	1.6
62.90409	1.7
70.37127	1.8
75.23407	1.7
82.38752	1.7
83.04984	3.7
95.04997	4.6
99.04462	45.0
103.97862	2.1
111.04438	20.5
118.77217	1.8
119.04916	3.1
128.11444	2.1
139.03870	7.5
147.04413	100.0
160.28154	2.2
163.03879	10.5
164.04251	3.7
165.05495	20.2
175.36578	2.1
178.06926	2.7
179.52814	1.9
183.06544	12.3
191.07011	27.9
229.07053	59.4
245.08046	31.6
338.10559	2.5
347.11456	2.3
372.12326	10.9
375.11179	2.7
390.13260	16.1
406.11169	2.3
408.14474	14.0
419.13385	59.0
436.13660	3.3
437.14420	8.7
454.14865	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42793	1.1
56.86753	0.8
57.03432	1.7
58.66209	1.1
69.03422	10.7
81.03421	5.1
85.02913	25.9
97.02866	9.4
99.04470	1.5
109.02909	6.5
113.02357	15.5
117.07030	2.8
127.03908	16.6
137.06013	6.6
145.04988	2.4
145.06512	23.3
151.07576	2.8
156.70024	1.2
160.07620	2.2
163.07535	43.4
180.10187	58.8
299.23730	1.1
301.21057	1.2
303.17093	1.2
446.53741	1.6
454.17117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25452	0.3
52.81965	0.3
55.18281	0.3
58.06593	2.0
63.49789	0.4
70.06584	0.8
89.97166	0.3
92.42231	0.4
96.62946	0.4
98.66734	0.4
99.04459	1.9
99.33488	0.4
101.38221	0.4
121.06496	2.5
136.07594	0.5
162.05475	5.7
177.05383	0.7
192.06441	0.5
194.08125	100.0
206.08241	0.5
290.21317	0.4
350.13757	0.4
364.12006	0.5
429.05591	0.5
454.11188	3.1
454.16776	12.9
454.22455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.8
59.31190	0.5
66.05384	0.5
70.25891	0.5
81.57317	0.5
83.39987	0.6
84.26298	0.5
99.04464	1.3
114.10290	0.6
121.06527	0.9
147.79353	0.5
161.28291	0.6
163.03899	2.9
164.04199	3.1
177.05600	0.6
263.06061	0.5
280.09515	1.4
286.09055	0.6
294.11237	9.3
298.10773	0.6
306.11023	2.1
307.08350	8.1
308.09103	5.9
309.09848	2.5
319.08359	2.7
321.09998	1.2
322.10709	45.7
323.11502	33.6
324.12286	9.3
334.10608	5.8
336.12308	6.9
337.12650	2.5
338.13821	100.0
350.12958	2.8
410.11523	0.6
435.96255	0.6
436.13916	1.0
454.14029	19.2
454.18582	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.8
59.31190	0.5
66.05384	0.5
70.25891	0.5
81.57317	0.5
83.39987	0.6
84.26298	0.5
99.04464	1.3
114.10290	0.6
121.06527	0.9
147.79353	0.5
161.28291	0.6
163.03899	2.9
164.04199	3.1
177.05600	0.6
263.06061	0.5
280.09515	1.4
286.09055	0.6
294.11237	9.3
298.10773	0.6
306.11023	2.1
307.08350	8.1
308.09103	5.9
309.09848	2.5
319.08359	2.7
321.09998	1.2
322.10709	45.7
323.11502	33.6
324.12286	9.3
334.10608	5.8
336.12308	6.9
337.12650	2.5
338.13821	100.0
350.12958	2.8
410.11523	0.6
435.96255	0.6
436.13916	1.0
454.14029	19.2
454.18582	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35926	0.8
57.63651	0.7
58.06609	39.3
58.84301	0.8
66.58313	0.8
74.54619	0.8
115.21363	0.9
148.84323	0.9
167.29901	0.9
191.08560	1.2
207.08139	1.6
209.09645	1.0
219.07979	2.8
220.84361	0.9
222.06822	1.6
237.09113	10.9
265.08588	60.3
267.06555	1.0
279.10129	1.6
281.08105	6.2
282.08835	36.6
296.10452	15.9
297.11221	76.1
309.11575	1.2
342.16995	44.5
377.10315	3.3
394.10104	1.3
409.12802	2.0
454.18661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03949	0.4
83.19852	0.4
154.28786	0.5
294.11197	12.0
306.11081	0.9
308.09058	5.0
320.09229	0.8
322.10696	14.1
323.11490	36.9
338.13831	100.0
454.18591	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64833	1.5
62.21335	1.6
63.36511	1.5
67.22740	1.7
69.03431	65.2
69.86370	1.9
71.04994	3.6
81.03429	1.9
83.04979	23.4
85.02917	21.5
86.06061	14.3
87.04463	10.3
97.02899	11.8
98.06060	19.8
104.07147	3.0
111.04443	20.6
116.07082	4.0
128.07083	3.3
129.05469	42.2
133.46829	1.9
141.47238	1.7
149.23351	1.9
161.14937	1.8
162.27069	1.6
164.07074	3.5
171.06566	6.6
178.08711	1.9
182.08121	24.5
189.07617	4.4
191.07069	3.2
194.08170	3.9
212.09114	2.9
230.10208	45.3
248.11284	100.0
266.12277	11.2
320.07339	3.1
418.17056	11.8
436.12564	2.1
436.18085	50.1
454.13409	2.6
454.19183	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99062	0.6
52.31056	0.7
58.06604	1.3
70.06587	1.5
95.04979	1.4
128.07071	0.7
137.05948	0.8
158.49258	0.8
176.07016	0.9
177.05460	2.9
195.32007	0.8
269.08517	0.9
308.09201	1.9
323.11588	5.2
325.11807	100.0
337.71515	0.8
340.14194	31.2
407.12378	6.9
422.14740	1.4
436.14389	0.8
439.17566	9.8
443.32379	0.9
454.13577	7.5
454.19815	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59267	0.4
60.03971	0.5
65.45058	0.5
66.07481	0.5
70.41014	0.4
81.87490	0.4
85.77458	0.5
87.09335	0.5
151.04762	0.4
153.54851	0.5
154.41489	0.5
295.20990	0.5
323.11551	5.3
325.11810	100.0
339.13327	0.5
340.10071	1.1
340.14194	31.3
363.13525	0.8
407.12411	6.5
408.15631	0.8
422.14752	2.5
424.15115	1.1
439.17447	11.3
454.19788	71.8
460.57458	0.6
479.63501	0.5
479.97659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59267	0.4
60.03971	0.5
65.45058	0.5
66.07481	0.5
70.41014	0.4
81.87490	0.4
85.77458	0.5
87.09335	0.5
151.04762	0.4
153.54851	0.5
154.41489	0.5
295.20990	0.5
323.11551	5.3
325.11810	100.0
339.13327	0.5
340.10071	1.1
340.14194	31.3
363.13525	0.8
407.12411	6.5
408.15631	0.8
422.14752	2.5
424.15115	1.1
439.17447	11.3
454.19788	71.8
460.57458	0.6
479.63501	0.5
479.97659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59267	0.4
60.03971	0.5
65.45058	0.5
66.07481	0.5
70.41014	0.4
81.87490	0.4
85.77458	0.5
87.09335	0.5
151.04762	0.4
153.54851	0.5
154.41489	0.5
295.20990	0.5
323.11551	5.3
325.11810	100.0
339.13327	0.5
340.10071	1.1
340.14194	31.3
363.13525	0.8
407.12411	6.5
408.15631	0.8
422.14752	2.5
424.15115	1.1
439.17447	11.3
454.19788	71.8
460.57458	0.6
479.63501	0.5
479.97659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57999	0.3
58.30383	0.3
60.04097	0.3
66.67935	0.3
76.11185	0.4
79.73163	0.3
100.40443	0.4
102.11579	0.4
104.59275	0.4
114.09071	0.5
151.07501	0.6
161.57043	0.4
178.08557	2.7
225.42873	0.4
230.00870	0.5
273.80243	0.4
292.99091	0.5
294.11182	0.6
306.90228	0.4
308.09406	0.7
308.12738	11.0
320.09296	0.6
320.12750	2.0
321.09863	0.4
322.10608	4.6
323.11368	0.7
336.12268	15.2
337.13052	32.5
338.10022	0.5
338.13718	2.0
352.15399	100.0
402.31094	0.6
454.22238	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23171	0.2
52.28972	0.3
52.55707	0.3
53.20005	0.3
56.40489	0.3
63.02345	0.4
87.04472	0.5
88.23759	0.3
89.03911	0.4
91.05463	0.7
93.23886	0.4
93.24520	0.3
130.36449	0.4
179.03651	0.3
189.12724	2.0
190.08615	1.3
205.94771	0.4
206.15369	1.7
274.18124	0.5
292.19067	100.0
306.07681	0.4
307.08386	0.8
308.08926	0.5
352.11789	0.7
356.14850	0.4
364.11716	0.7
454.24353	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
51.24603	0.2
53.53862	0.3
53.90021	0.2
57.07080	0.7
58.00528	0.3
67.05489	0.3
69.07049	0.3
71.08633	0.4
83.08636	0.3
85.10125	0.3
91.05499	0.5
91.08195	0.3
91.55576	0.2
95.08603	0.6
98.87319	0.3
99.04432	0.4
105.86622	0.3
107.08581	0.3
121.06558	0.3
125.64656	0.3
125.65571	0.3
282.27908	100.0
300.28931	1.1
314.99506	0.3
362.24725	0.9
390.24353	1.1
408.25229	1.1
454.19949	0.6
454.26187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.40809	1.5
55.05532	2.1
57.03434	3.4
57.07077	23.8
62.06094	23.2
67.05489	1.9
67.46204	1.8
69.07064	4.2
71.08630	20.7
81.07040	9.7
83.08614	10.7
84.17025	2.3
85.10178	11.3
95.08568	18.5
97.10185	2.3
98.98463	9.6
109.10159	4.5
155.01042	12.4
216.06386	2.8
222.57390	2.0
223.57268	1.9
265.31976	1.9
282.27896	13.0
313.27347	100.0
339.29102	4.4
372.74222	2.1
393.23938	3.5
419.25433	2.5
436.28403	18.9
454.29184	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
57.07059	0.5
62.06076	0.3
68.05809	0.2
69.07066	0.6
71.08611	0.6
81.07012	0.4
85.10192	0.6
95.08607	0.7
205.02145	0.3
282.27902	100.0
300.26035	0.4
300.29037	0.6
338.10190	0.3
350.06656	0.6
454.13815	1.0
454.26962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.5
62.06076	0.3
68.05809	0.2
69.07066	0.6
71.08611	0.6
81.07012	0.4
85.10192	0.6
95.08607	0.7
205.02145	0.3
282.27902	100.0
300.26035	0.4
300.29037	0.6
338.10190	0.3
350.06656	0.6
454.13815	1.0
454.26962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24603	0.2
53.53862	0.3
53.90021	0.2
57.07080	0.7
58.00528	0.3
67.05489	0.3
69.07049	0.3
71.08633	0.4
83.08636	0.3
85.10125	0.3
91.05499	0.5
91.08195	0.3
91.55576	0.2
95.08603	0.6
98.87319	0.3
99.04432	0.4
105.86622	0.3
107.08581	0.3
121.06558	0.3
125.64656	0.3
125.65571	0.3
282.27908	100.0
300.28931	1.1
314.99506	0.3
362.24725	0.9
390.24353	1.1
408.25229	1.1
454.19949	0.6
454.26187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05519	2.1
55.86358	1.8
56.55397	1.4
57.03433	8.7
57.07080	32.6
67.05496	2.9
69.07067	8.5
70.86810	1.8
71.08632	27.7
76.84684	1.5
81.07064	9.9
82.61478	1.4
83.08616	6.9
85.10189	14.6
89.06044	3.8
95.08630	13.5
95.12847	1.7
97.10168	3.8
106.94547	1.7
109.10154	9.2
118.46342	1.6
123.11720	1.9
123.16968	1.7
125.89919	1.5
221.01042	1.5
257.24774	1.8
282.27994	2.8
284.34479	1.7
313.27362	100.0
318.86203	1.7
338.99026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.3
57.07096	2.8
67.05508	23.1
69.07070	50.4
75.52254	1.6
79.77367	2.1
81.07057	36.0
83.08621	18.8
89.06002	2.0
91.05447	1.9
93.07077	3.3
95.08605	71.6
97.10165	2.9
107.08622	2.7
108.07912	1.9
109.10159	76.2
111.11706	4.4
120.08066	7.4
123.11713	9.7
137.13213	7.6
148.90915	2.4
165.16403	17.9
166.08636	2.3
185.09496	2.6
187.07547	9.4
201.09082	4.9
213.09204	3.2
223.87387	1.9
225.09036	3.9
227.10722	2.5
229.08469	2.2
239.10629	10.3
241.12299	2.1
247.09601	11.1
251.10503	4.2
252.11182	3.2
253.08664	3.7
253.12279	18.0
255.10139	2.4
255.13815	10.5
265.12097	2.8
267.10223	3.3
267.13782	10.6
269.15277	2.2
279.13770	9.2
281.11661	10.4
281.15298	16.1
283.09329	2.7
292.14679	3.5
293.12073	5.7
293.15393	10.9
295.13382	4.3
297.11191	4.1
299.12689	11.5
301.14255	3.5
307.16727	8.0
309.14969	3.4
309.18640	2.7
311.12766	12.4
313.14191	3.2
321.14804	4.2
323.12692	7.2
325.14267	4.6
327.15918	4.9
334.87363	2.3
335.16287	2.7
335.19922	9.5
336.07504	2.3
338.15167	2.1
339.15897	3.6
353.17740	15.7
363.19339	8.3
367.19125	4.5
379.19037	4.3
381.20563	28.7
391.26208	16.3
394.21310	3.0
395.22137	3.5
419.25662	13.1
437.26898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	22.9
57.03434	2.2
57.07079	13.5
58.06609	28.5
60.00083	1.9
66.07772	2.2
66.70889	2.4
67.05511	22.9
69.07072	39.6
70.29935	2.6
71.08636	10.3
79.05495	5.7
81.07057	47.0
83.04969	2.4
83.08617	51.2
84.08134	2.4
85.10181	3.0
86.06058	2.9
88.26915	2.5
91.05454	5.1
93.07035	15.9
95.08601	54.1
97.06525	5.6
97.10188	18.9
100.07597	9.7
105.07033	11.2
107.08597	12.9
109.10163	31.1
111.08081	10.3
111.11742	3.3
112.07620	2.3
114.09157	5.8
119.08566	13.3
121.10162	14.9
123.11713	11.7
125.09675	3.8
126.09150	2.9
128.10692	2.9
133.10152	14.6
135.11682	9.5
139.11169	2.5
147.11682	14.7
149.13324	2.8
161.13229	4.5
175.14748	3.0
245.22618	22.9
263.23648	30.6
266.05450	2.5
280.26343	49.6
298.27377	5.5
299.25742	11.1
325.68591	2.6
400.26724	3.0
454.29092	6.4
454.35205	100.0
460.83594	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73989	0.9
55.01886	1.5
55.05521	21.6
57.07086	14.2
67.05511	25.8
69.07070	35.4
71.08636	9.0
79.05494	5.8
81.07062	48.5
83.04982	1.8
83.08628	54.6
84.08153	2.1
85.06541	1.7
85.10184	2.7
86.06079	2.2
91.05482	9.5
92.72014	1.1
93.07049	15.8
95.08608	51.1
96.42828	1.3
97.06529	7.9
97.10176	21.7
98.09679	1.2
100.07618	6.4
102.33162	1.1
104.17836	1.2
105.07047	7.2
107.08580	10.6
109.10158	36.2
111.08081	11.9
111.11716	5.0
114.09164	8.1
119.08575	9.9
121.10141	12.0
123.08108	1.5
123.11727	13.3
125.09628	4.6
126.09128	1.1
128.10692	4.4
133.10149	18.7
135.11717	8.0
137.09637	4.6
137.13249	5.6
139.11189	1.4
141.12804	1.9
147.11688	10.8
149.13324	1.7
151.11194	1.9
151.14944	1.5
153.12747	1.6
155.14310	2.5
161.13257	10.3
163.14807	2.6
165.12784	2.2
165.16394	2.1
167.14413	1.5
175.09712	1.3
175.14864	5.4
179.17972	4.9
183.86655	1.1
198.18518	1.5
205.00159	1.2
245.22670	16.5
263.23697	26.6
280.26343	42.6
298.27460	10.4
299.25903	1.5
366.09650	1.4
454.35284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
91.53581	0.7
101.14588	0.8
156.60806	0.8
161.02953	1.5
245.05125	0.8
255.32959	0.8
275.36383	0.8
400.92642	0.8
414.03271	1.2
455.11609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21513	0.6
66.33578	0.7
97.82563	0.8
143.01920	1.0
161.02867	1.5
218.02264	1.0
224.58667	0.9
224.93785	0.8
254.24107	0.8
275.06134	5.3
276.61273	0.8
365.08871	0.8
455.11603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07425	0.4
61.89980	0.4
114.03391	0.7
134.50201	0.5
166.08992	0.5
172.03926	9.7
180.62912	0.5
190.05003	100.0
200.44849	0.5
205.37177	0.4
218.04477	6.3
223.65866	0.4
282.07730	0.8
336.22049	0.9
346.93530	0.5
354.23169	5.7
372.24637	0.6
414.25449	3.8
455.12427	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38175	0.3
62.94659	0.3
66.97470	0.3
70.06612	0.3
75.65235	0.3
84.33473	0.3
85.02902	0.4
99.04385	0.4
177.05516	0.6
178.76204	0.3
224.07040	2.4
225.07860	4.3
257.06802	2.2
276.27695	0.4
280.09744	0.5
292.09592	0.5
293.10330	1.8
296.05597	14.7
296.09177	2.5
306.07535	0.6
309.09677	0.7
310.10654	0.7
315.09369	0.3
321.10007	8.5
322.10828	4.0
324.08548	1.9
337.12866	2.0
338.10114	1.6
339.11002	61.2
354.13333	100.0
379.12762	1.3
396.13065	0.6
411.15540	1.7
455.14426	13.4
455.20758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38175	0.3
62.94659	0.3
66.97470	0.3
70.06612	0.3
75.65235	0.3
84.33473	0.3
85.02902	0.4
99.04385	0.4
177.05516	0.6
178.76204	0.3
224.07040	2.4
225.07860	4.3
257.06802	2.2
276.27695	0.4
280.09744	0.5
292.09592	0.5
293.10330	1.8
296.05597	14.7
296.09177	2.5
306.07535	0.6
309.09677	0.7
310.10654	0.7
315.09369	0.3
321.10007	8.5
322.10828	4.0
324.08548	1.9
337.12866	2.0
338.10114	1.6
339.11002	61.2
354.13333	100.0
379.12762	1.3
396.13065	0.6
411.15540	1.7
455.14426	13.4
455.20758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15035	1.9
54.37191	2.0
54.51128	2.1
68.99129	2.2
69.03432	3.2
76.40924	2.2
76.44671	2.5
78.14098	2.5
85.02955	3.5
91.24087	2.7
95.04967	3.2
97.02877	3.8
99.04423	6.5
113.03504	3.2
146.05991	3.3
160.07613	10.9
161.07985	4.9
162.42706	3.0
179.88641	2.7
188.07054	11.1
190.08615	10.1
239.04980	3.2
292.06958	3.3
293.06863	4.0
294.07599	86.8
295.08441	18.8
304.92752	2.9
306.07730	6.0
307.08392	84.4
308.09161	78.0
309.09903	20.6
320.09094	17.2
321.10001	33.0
322.10669	38.5
323.13297	4.0
336.12451	5.8
337.11862	5.2
338.10303	11.5
351.13397	2.9
352.14417	53.2
365.12677	3.5
367.12314	5.2
367.16534	97.9
378.15701	3.6
393.18192	19.7
396.16769	18.8
411.15176	43.2
411.19955	81.8
437.17075	9.8
455.11633	5.1
455.17923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21479	0.9
176.07053	10.5
224.07060	3.9
267.12634	1.1
270.54327	0.8
280.13303	65.2
284.39923	0.7
304.06165	0.9
320.05389	1.4
320.09155	34.5
321.09421	0.8
364.08304	2.8
367.10635	1.1
368.11508	3.1
398.12750	4.3
419.48767	0.7
446.12439	0.8
455.19678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11316	0.4
62.96788	0.4
63.43739	0.3
77.76559	0.4
159.56194	0.5
226.96228	0.5
252.04398	0.4
278.14923	0.4
290.08118	8.1
302.08002	2.9
304.06036	8.2
318.07550	10.2
319.08386	39.8
320.09137	0.6
334.10739	100.0
336.12393	0.4
386.10242	0.8
406.82968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96563	0.3
57.46281	0.3
73.75134	0.3
77.05116	0.3
78.07743	0.4
94.60851	0.4
104.45808	0.3
212.18637	0.3
271.33014	0.4
290.08163	8.3
302.08160	2.4
304.06024	8.2
313.32629	0.4
318.07602	10.2
319.08374	39.3
334.10709	100.0
346.22507	0.4
386.09787	0.4
409.12686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1962
Annotation	Geijedimerine
Peak:m/z	Relative Intensity
58.06607	1.0
67.05515	0.8
69.07079	1.0
69.41391	0.6
81.07055	1.3
88.00692	0.6
93.83838	0.6
97.74316	0.6
109.10155	0.8
120.23705	0.7
153.12755	2.8
168.43094	0.6
176.07060	8.7
180.57129	0.7
201.09128	0.9
213.09171	2.4
215.10719	3.4
224.07080	4.3
227.53882	0.7
237.12827	0.8
241.08511	1.0
255.13858	3.1
259.09564	0.7
267.12537	1.3
269.15500	2.4
280.13327	65.0
292.09940	0.8
293.20886	0.6
315.15906	12.9
318.07626	2.9
320.09183	37.3
367.10800	1.2
368.11508	1.1
397.12128	0.7
398.12646	3.0
399.21576	0.8
437.26920	0.8
443.77380	0.7
455.19678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96563	0.3
57.46281	0.3
73.75134	0.3
77.05116	0.3
78.07743	0.4
94.60851	0.4
104.45808	0.3
212.18637	0.3
271.33014	0.4
290.08163	8.3
302.08160	2.4
304.06024	8.2
313.32629	0.4
318.07602	10.2
319.08374	39.3
334.10709	100.0
346.22507	0.4
386.09787	0.4
409.12686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20706	0.5
54.22459	0.4
55.86353	0.4
60.05664	0.9
61.02951	0.5
68.31576	0.5
69.03432	1.0
72.08170	3.9
85.02911	5.6
85.75895	0.5
87.04465	0.7
97.02893	2.3
97.07623	1.0
99.04461	0.5
114.10294	13.3
115.08703	2.0
127.03908	2.2
131.12917	6.2
135.04449	2.3
145.02835	2.4
145.04961	1.1
157.10846	0.7
163.03894	100.0
176.17947	0.6
233.12837	3.1
234.11206	6.0
276.13440	3.1
293.16046	6.8
373.12836	0.9
391.13336	0.7
409.15051	0.8
455.15634	3.9
455.21329	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2168
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
63.22231	1.1
63.78284	1.0
67.05502	8.1
69.07056	3.0
79.05495	6.8
79.32126	1.1
81.07060	11.0
90.32081	1.2
91.05489	2.4
93.07045	8.1
95.08595	7.1
99.21569	1.4
105.06994	1.8
107.08585	2.5
109.10155	5.4
111.04497	1.4
119.08603	2.9
120.96611	6.9
120.97398	1.1
133.10187	1.7
135.11658	2.0
156.97591	1.2
195.00328	7.3
213.00182	1.9
282.27890	7.4
283.28250	49.0
335.25763	2.0
357.24005	2.0
455.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19857	1.3
53.00804	1.7
62.00274	1.5
65.69740	1.6
67.05501	7.0
68.53327	1.5
69.07060	2.8
79.05506	2.2
81.07067	10.0
93.07067	7.3
95.08624	3.8
102.05699	1.8
105.07066	2.1
107.08602	4.0
107.55339	1.8
111.67628	1.7
119.08495	2.0
120.96664	4.0
121.10136	2.3
170.01115	2.4
174.00671	2.4
195.00316	7.0
198.09085	1.9
218.98834	2.2
283.28271	3.5
336.18265	2.4
455.21713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09695	1.5
55.05519	2.1
58.54510	1.8
67.05486	2.0
76.12317	1.7
80.82484	2.0
81.07060	1.9
82.71271	2.0
91.05434	2.0
95.08621	2.5
107.01328	1.9
109.10148	4.1
111.30703	1.8
133.06581	1.8
135.11723	2.5
153.12753	13.4
185.09657	3.0
187.11075	2.4
189.10870	1.9
197.09595	2.2
199.07574	2.6
200.08292	2.3
201.09128	4.1
213.09138	11.0
215.10657	14.9
237.12677	3.6
241.08623	4.7
253.15982	3.1
255.13789	19.5
269.15384	12.3
271.16937	2.9
297.14859	2.9
310.99603	1.9
315.15912	100.0
437.26749	4.6
455.19931	4.2
455.27667	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62983	0.8
66.78277	0.8
67.05503	6.9
69.07056	1.6
71.04984	1.1
79.05489	4.8
81.07074	11.1
91.05482	2.4
93.07055	10.4
95.04404	1.2
95.04975	33.9
95.08608	23.4
105.07034	7.1
107.08598	13.7
109.06520	4.4
109.10155	12.5
119.08604	6.7
121.10133	7.2
123.08043	2.2
123.11697	8.2
131.08533	1.5
133.10149	13.5
135.08017	1.6
135.11700	9.0
137.09627	50.3
145.10121	4.5
147.11661	8.8
149.13255	6.1
151.11172	8.7
157.37947	1.0
159.11652	3.9
161.09619	6.0
161.13232	5.2
163.14764	1.6
165.08969	1.3
171.11731	1.1
175.14769	2.3
179.10672	64.1
185.13246	1.2
197.11781	1.1
199.14914	1.2
227.17801	1.2
240.23332	1.3
241.19626	1.6
241.59865	1.0
253.65826	1.1
259.20639	4.0
396.41559	1.1
437.34055	1.3
455.31454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Embelinone
Peak:m/z	Relative Intensity
50.93074	0.3
52.19611	0.3
57.46201	0.3
65.32738	0.3
69.07070	0.8
69.47095	0.3
81.07050	1.9
81.08660	0.4
82.33637	0.3
95.08599	2.7
107.08611	0.7
109.10184	2.4
111.11762	0.5
115.18426	0.3
119.08575	1.3
121.10107	1.6
121.71684	0.4
123.11700	0.4
133.10088	0.5
135.11681	0.7
145.10138	0.5
146.29199	0.4
159.11688	0.5
163.74937	0.4
173.13243	5.7
175.14742	0.5
189.16519	0.5
191.17947	1.9
191.70088	0.4
199.14697	0.5
213.13060	0.4
213.47572	0.4
227.10870	0.4
227.14247	0.5
233.15401	3.7
247.20659	0.5
255.63869	0.4
256.53152	0.4
369.31628	0.7
417.55545	0.4
419.33170	2.2
437.34158	16.9
455.35220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.07081	3.3
67.05494	3.6
69.07047	3.5
71.04966	3.5
79.05463	2.8
79.96126	3.5
81.07061	21.5
82.96645	2.7
83.08611	7.1
92.20981	3.2
93.07043	15.6
95.04970	3.6
95.08598	48.5
99.08087	5.3
105.07033	15.1
107.08593	26.7
109.10170	27.6
113.09675	3.1
119.08575	15.1
121.10118	24.2
123.11693	5.6
125.09600	7.1
131.08554	3.8
133.10147	21.8
135.11703	16.1
145.10083	14.0
147.11673	6.4
147.16136	2.9
149.13248	13.0
157.10104	6.3
159.11671	17.2
161.13278	6.6
163.11124	3.8
163.14732	4.3
173.13225	15.5
175.14803	6.5
177.16452	5.1
185.13213	4.4
187.14803	12.7
187.39175	3.7
189.16394	12.2
199.14757	3.8
201.16411	15.1
211.14786	3.5
213.16521	4.3
215.87041	3.4
256.26303	3.2
267.17151	3.5
268.26050	3.7
295.24219	7.1
313.25250	24.9
409.34479	7.0
419.33203	4.2
437.34222	41.3
455.35150	100.0
478.99933	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49356	0.7
53.00316	1.1
55.01881	1.7
55.05521	33.4
57.03441	0.8
57.06821	1.2
57.07082	22.2
57.42038	0.9
63.58283	0.7
67.05513	14.1
69.03420	1.7
69.07072	13.6
71.08630	16.6
75.23470	0.7
78.86750	0.7
79.05505	19.0
79.10018	0.7
81.07065	23.0
83.04998	1.8
83.08630	16.9
85.06577	0.7
85.10185	11.0
93.07056	1.0
95.08598	18.4
97.10173	25.3
105.07060	1.6
107.08581	10.9
109.10136	8.8
121.10149	1.2
123.11732	1.4
124.62029	0.8
125.09619	12.2
143.10716	1.2
143.50644	1.2
148.12276	1.0
199.13316	4.4
239.23692	5.1
313.27359	1.5
455.37311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75936	0.3
62.95485	0.2
137.02310	2.7
260.07092	0.4
288.06772	0.5
290.08127	2.5
292.09665	6.7
318.07535	4.1
319.08350	0.4
320.09171	8.5
398.10126	0.7
410.09775	0.5
412.08276	0.6
426.09869	0.4
428.11285	2.7
454.08701	0.5
456.10773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25885	0.3
53.90808	0.3
55.73254	0.3
62.71338	0.3
76.70086	0.4
84.01265	0.4
103.42296	0.4
106.49497	0.4
112.63014	0.4
137.02364	2.4
239.56184	0.4
245.28438	0.4
245.38557	0.4
277.42230	0.5
290.08231	1.9
292.09671	6.2
318.07593	4.5
319.08255	0.8
320.09186	9.1
320.62305	0.4
398.09918	0.5
410.10199	0.6
413.08350	0.5
426.09464	0.8
428.11121	2.0
438.10135	1.4
456.10748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21696	0.3
54.14402	0.4
58.06589	0.5
92.21545	0.5
97.79182	0.4
100.41815	0.4
108.52895	0.4
114.09163	0.5
125.55690	0.4
137.02359	3.1
141.49043	0.4
148.86029	0.4
180.08597	0.5
278.07962	0.5
290.08072	2.3
292.09689	6.3
306.07568	1.8
316.05911	0.5
318.07538	4.6
319.08142	0.8
320.09192	10.0
321.09430	0.6
334.07010	3.6
334.10641	0.8
335.07556	1.6
335.11249	0.8
336.11722	2.4
349.09448	0.9
350.10168	2.3
373.82214	0.5
382.88104	0.4
384.08453	0.5
412.08163	3.9
413.08823	2.0
424.08081	2.2
426.05695	0.6
428.11353	5.8
440.07620	2.9
441.08237	2.4
456.10620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15219	0.3
63.90755	0.3
68.78047	0.3
79.73411	0.3
80.44879	0.3
85.51994	0.3
90.95173	0.3
110.92126	0.3
137.02306	2.6
141.07559	0.3
154.46039	0.3
248.43330	0.3
258.38217	0.4
260.07043	0.5
290.08090	1.7
292.09741	6.3
318.07727	3.9
319.08368	0.5
320.09164	7.8
334.07117	0.5
382.44061	0.4
398.10321	0.5
410.10095	0.8
412.07913	0.6
413.08896	0.5
426.10095	0.4
428.11206	3.5
456.10742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15219	0.3
63.90755	0.3
68.78047	0.3
79.73411	0.3
80.44879	0.3
85.51994	0.3
90.95173	0.3
110.92126	0.3
137.02306	2.6
141.07559	0.3
154.46039	0.3
248.43330	0.3
258.38217	0.4
260.07043	0.5
290.08090	1.7
292.09741	6.3
318.07727	3.9
319.08368	0.5
320.09164	7.8
334.07117	0.5
382.44061	0.4
398.10321	0.5
410.10095	0.8
412.07913	0.6
413.08896	0.5
426.10095	0.4
428.11206	3.5
456.10742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28240	1.1
63.30310	1.2
64.89251	1.2
66.60323	1.3
68.44196	1.3
70.37478	1.1
103.04929	1.3
120.45336	1.2
137.05939	1.4
160.05148	1.8
165.05484	1.9
166.92447	1.4
175.03984	4.3
175.07556	5.7
190.04974	20.9
190.06465	2.0
191.07080	2.5
191.08728	1.5
192.06625	5.2
193.08661	9.9
197.58699	1.3
198.12779	1.4
203.06999	2.2
206.11765	12.8
221.08104	6.3
231.06561	1.7
265.07224	1.7
267.08575	1.8
290.08063	5.1
290.85135	1.5
292.06070	2.4
292.09491	2.9
293.06693	2.2
304.06049	2.2
306.07562	1.7
318.07440	9.8
319.08347	11.0
320.05539	6.1
320.09116	33.1
321.09802	8.8
322.10895	1.6
331.04794	2.1
334.10623	12.0
336.12253	26.9
346.07043	2.8
348.05164	1.6
349.05670	7.3
354.50864	1.5
364.08130	59.2
394.12915	2.4
412.11978	5.6
413.08246	2.2
413.13062	2.7
426.06186	2.0
438.12027	18.2
440.11334	22.3
441.11865	8.3
456.14630	100.0
458.77609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11186	0.7
70.81454	0.6
81.07039	1.1
95.31680	0.6
109.10139	0.8
120.36663	0.7
126.10060	0.7
245.82851	0.8
249.54829	0.7
342.07672	1.4
345.21307	0.7
358.07056	25.8
358.11075	1.3
370.02585	0.9
370.07083	27.5
371.07846	1.2
382.07074	3.6
384.08630	1.7
390.02127	0.8
395.07983	3.5
396.08536	6.0
410.13779	1.6
438.13306	34.9
456.14441	100.0
464.04794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94242	0.7
57.21577	0.8
60.94746	0.9
62.19347	0.9
65.51291	0.9
84.55711	0.8
101.64711	0.9
138.20691	0.9
157.27240	0.9
180.20856	0.9
196.08209	0.9
221.11690	0.9
291.09146	3.5
292.09741	1.4
306.07556	13.0
307.08414	1.2
318.07620	1.5
319.08374	1.1
320.09180	17.1
323.07898	5.6
333.06326	4.1
334.07169	17.7
334.11002	1.3
336.12381	3.9
346.07220	1.1
396.12140	2.0
398.10361	7.7
410.10034	1.2
412.11636	8.3
413.12357	1.1
423.10800	1.7
424.11761	1.9
426.09708	27.5
440.11172	6.9
441.12042	6.2
456.14404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58328	1.0
94.08108	0.9
115.50443	1.1
135.79851	1.0
212.78889	1.2
218.15309	1.4
308.08966	2.0
318.07526	8.2
319.08353	8.0
320.09055	7.5
322.10696	2.0
334.10614	17.2
335.11179	1.3
336.12122	2.6
398.10004	6.1
410.10205	1.2
412.11813	20.8
424.11880	13.9
425.08752	1.2
426.09677	58.7
440.05103	1.3
440.11194	32.8
441.12057	31.8
456.14224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56267	0.5
79.05485	1.2
81.07059	0.8
85.99686	0.6
93.07043	4.1
95.08578	0.7
107.04943	0.9
107.08570	1.3
119.08542	0.7
121.10130	1.1
133.10098	0.9
135.11713	1.4
161.05920	0.7
162.07620	2.3
164.96040	0.5
265.07083	0.9
270.04782	0.6
277.21658	2.7
278.08179	0.7
291.08939	4.5
303.06360	1.1
305.06802	0.8
306.07617	11.8
316.06213	0.9
318.07550	1.0
319.08374	0.8
320.09152	13.3
323.07874	4.9
333.06165	4.0
334.07080	13.4
334.10544	1.1
346.07040	2.3
348.08646	1.0
384.12265	0.9
393.07059	0.8
394.10568	0.8
395.11407	1.3
396.12350	2.2
398.10229	8.3
410.10391	0.8
412.11829	7.8
413.12479	3.4
422.10330	1.0
423.10934	1.4
424.11542	2.3
426.09650	22.2
427.10666	0.9
440.11038	5.9
441.12140	6.4
456.14365	100.0
456.28406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69465	0.3
59.15485	0.3
65.84204	0.3
83.55667	0.4
117.03470	0.4
117.70894	0.4
239.86147	0.4
290.08112	2.4
304.05994	0.6
318.07523	4.4
319.08490	3.8
331.08383	1.5
332.09155	9.6
334.10641	8.0
342.07440	0.6
355.11951	2.4
357.64435	0.4
383.11469	2.5
394.10501	0.5
396.12302	0.8
398.10324	0.7
410.10568	0.5
411.10843	3.0
412.11807	1.5
413.12726	0.5
421.99411	0.4
424.12045	0.5
428.15024	0.7
440.11407	3.2
441.12057	19.7
456.14343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01978	0.4
66.19224	0.5
73.16613	0.5
118.58715	0.5
121.02913	2.1
206.11865	1.1
219.06927	0.5
255.67682	0.5
290.08054	0.8
292.09763	2.9
304.06100	0.8
306.07922	0.7
307.08524	2.3
308.12766	1.0
310.07092	0.9
318.07785	2.4
319.08508	2.3
320.09085	4.7
321.10080	5.3
334.10532	4.2
335.07852	0.6
336.12274	14.6
398.10336	1.0
411.11087	1.8
412.11819	10.1
412.17087	0.7
424.12381	1.1
426.09921	2.0
440.11276	40.1
441.12094	7.3
456.14569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73321	0.4
51.73008	0.5
53.68323	0.5
58.06610	0.6
58.40354	0.5
263.07285	0.6
290.08127	0.9
308.09116	4.7
318.07718	4.3
319.08286	5.0
320.09195	4.1
322.10855	1.3
331.08575	0.9
332.09155	10.3
334.10822	8.5
336.11603	1.0
355.11920	1.0
383.11459	3.0
411.11139	2.9
413.12576	0.9
440.11282	2.4
441.12088	20.5
456.14441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73321	0.4
51.73008	0.5
53.68323	0.5
58.06610	0.6
58.40354	0.5
263.07285	0.6
290.08127	0.9
308.09116	4.7
318.07718	4.3
319.08286	5.0
320.09195	4.1
322.10855	1.3
331.08575	0.9
332.09155	10.3
334.10822	8.5
336.11603	1.0
355.11920	1.0
383.11459	3.0
411.11139	2.9
413.12576	0.9
440.11282	2.4
441.12088	20.5
456.14441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35965	0.4
58.77962	0.4
60.37768	0.4
66.74397	0.4
67.05507	0.7
68.42257	0.4
69.07063	0.6
72.91905	0.5
79.05497	2.8
81.07061	1.1
84.67557	0.6
92.49837	0.5
93.07062	3.6
95.08589	0.9
97.10123	0.5
107.08610	0.9
109.10140	0.8
115.91102	0.5
119.04955	0.6
119.08593	0.8
121.10146	1.2
133.10153	0.8
135.11713	1.1
157.73909	0.5
161.05931	1.0
162.07632	2.2
178.69662	0.5
186.05173	0.5
188.33269	0.5
208.08821	0.6
277.21548	4.3
278.08319	0.9
290.08127	0.6
291.08954	4.0
292.09753	0.9
303.06577	0.9
306.07620	13.1
316.06372	0.8
318.07498	1.8
319.08276	0.8
320.09186	11.7
323.07993	5.5
333.06305	4.6
334.07120	14.8
335.08054	0.7
336.12454	2.2
346.07047	2.3
348.08908	1.0
384.12317	1.1
394.10580	0.8
395.11655	2.1
396.12311	3.9
398.10342	7.1
408.08890	0.7
412.11743	9.4
413.12518	2.1
423.11014	1.0
424.12204	1.8
426.09637	22.5
428.11328	0.6
440.11319	5.8
441.12067	5.5
456.14420	100.0
456.29080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58328	1.0
94.08108	0.9
115.50443	1.1
135.79851	1.0
212.78889	1.2
218.15309	1.4
308.08966	2.0
318.07526	8.2
319.08353	8.0
320.09055	7.5
322.10696	2.0
334.10614	17.2
335.11179	1.3
336.12122	2.6
398.10004	6.1
410.10205	1.2
412.11813	20.8
424.11880	13.9
425.08752	1.2
426.09677	58.7
440.05103	1.3
440.11194	32.8
441.12057	31.8
456.14224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17234	1.0
52.59241	1.1
53.39555	1.1
58.06607	59.5
70.87423	1.3
95.06090	2.0
129.05412	2.1
135.95940	1.4
206.07922	2.1
279.10046	2.4
282.08844	2.5
294.07840	2.8
296.10550	5.0
298.10950	2.4
308.08832	2.3
309.09961	32.4
324.12289	100.0
358.12735	3.1
396.14307	8.2
412.19348	2.1
451.53458	1.7
456.14841	33.6
456.20248	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04877	0.4
79.73164	0.3
91.26649	0.4
139.47644	0.3
145.94449	0.4
188.73022	0.4
209.82211	0.4
237.26360	0.3
292.09665	10.8
304.09653	2.4
306.07596	3.4
320.09149	12.2
321.09946	30.3
336.12274	100.0
456.18481	0.8
468.46176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82104	0.4
62.79354	0.4
62.93550	0.4
62.98363	0.4
65.80645	0.4
74.06816	0.4
79.36880	0.3
83.99734	0.4
134.89526	0.4
176.07111	0.6
203.04149	0.4
219.69337	0.5
280.13297	4.1
281.13647	6.5
290.08118	8.1
302.08109	2.0
304.05997	7.1
315.15820	0.4
318.07657	10.2
319.08389	43.8
320.09280	2.1
321.09451	4.3
334.10730	100.0
456.19385	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09595	0.5
75.88116	0.5
79.69988	0.5
84.52000	0.5
91.70643	0.5
128.14212	0.5
159.11838	0.6
180.36528	0.6
192.06557	0.6
276.06387	0.6
281.13309	0.6
287.59183	0.6
290.08081	7.5
302.08060	2.3
303.20786	0.6
304.06033	5.1
318.07614	9.6
319.08368	43.1
334.10712	100.0
339.59531	0.7
382.10602	0.7
456.17892	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78127	0.3
58.10212	0.4
64.86755	0.3
89.73840	0.4
188.38925	0.4
190.06776	0.4
280.13187	0.6
281.13571	0.8
290.08130	7.8
302.08163	1.8
304.06036	6.4
318.07559	9.2
319.08386	39.7
320.08945	0.5
321.09479	0.8
334.10721	100.0
341.27728	0.5
456.18216	11.6
456.28775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55521	0.4
57.31301	0.4
65.77125	0.4
113.41099	0.4
130.36191	0.4
132.57355	0.5
235.36942	0.6
292.09668	12.1
295.80673	0.5
304.09702	1.1
306.07565	3.0
320.09198	11.7
321.09949	28.6
336.12277	100.0
429.61734	0.5
430.42145	0.5
456.18130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63257	0.3
51.59647	0.4
55.07816	0.4
56.02700	0.3
57.81479	0.4
92.21530	0.7
111.31910	0.4
170.03642	0.4
292.09659	11.3
304.09772	1.7
306.07611	3.4
320.09158	14.1
321.06143	0.7
321.09952	27.7
336.12286	100.0
412.12247	0.5
438.81564	0.4
440.11343	2.7
441.11984	0.7
456.14410	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33155	0.4
54.96681	0.4
58.22667	0.3
72.24587	0.4
85.97436	0.5
93.74689	0.4
127.82028	0.4
129.86267	0.4
172.04395	0.4
223.29385	0.4
276.06772	0.5
290.08063	9.4
302.08121	2.2
304.06033	9.2
306.07623	0.6
308.09143	1.9
318.04285	0.8
318.07608	12.4
319.08392	48.0
320.09033	2.2
321.09555	0.5
322.10648	2.1
334.10721	100.0
336.12155	0.7
348.12311	1.0
367.10370	0.8
392.33255	0.5
441.12079	0.6
456.18683	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
67.83791	0.9
69.03422	3.9
70.06606	1.0
71.04995	1.9
73.29986	0.9
79.31068	0.9
81.03415	9.5
85.02927	8.4
88.44602	0.9
91.82457	0.9
97.02891	6.3
99.04450	43.8
102.85143	1.1
109.02920	2.2
120.04428	0.9
121.06504	4.2
127.03896	4.1
137.05986	5.6
143.04941	1.9
149.05969	1.5
151.07538	10.5
161.05994	14.0
162.05412	1.4
176.07060	1.1
178.08627	37.7
179.07036	7.8
190.08615	4.0
196.09688	72.3
214.10699	2.4
218.21980	1.1
220.09717	4.5
225.79497	1.2
238.10806	1.6
256.11862	2.2
276.12442	1.1
317.58749	1.2
409.26636	1.0
420.16589	1.8
438.18143	7.6
456.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71609	1.7
57.03444	17.6
61.02932	2.5
69.03428	11.9
73.02928	42.7
81.03428	3.6
82.02822	2.0
85.02914	25.4
87.15496	2.0
92.21623	2.5
97.02880	16.9
99.04460	2.8
99.19086	2.4
104.53997	2.2
115.03941	10.6
122.52403	2.2
127.03883	9.0
130.06532	3.6
143.07364	2.5
144.06931	3.4
144.08092	100.0
145.05067	2.9
156.08090	8.5
158.09659	55.9
160.07579	14.2
162.07875	4.5
162.09148	65.3
168.08110	11.4
170.09637	3.5
172.07532	3.4
174.09125	16.0
184.07652	16.1
186.09131	80.3
186.10681	4.0
194.09645	2.1
196.11186	2.3
204.10248	60.0
210.09222	2.7
216.09964	2.5
228.10242	4.0
240.10181	10.6
252.10313	4.0
258.11267	4.5
270.11215	4.4
276.12271	12.3
288.12274	24.9
294.13373	4.9
306.13351	38.3
324.14426	12.8
335.45425	2.8
373.08652	2.5
438.17737	15.4
456.18634	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35326	1.6
57.03429	1.9
59.50986	1.4
61.02929	2.8
65.12782	1.6
68.82700	1.7
69.03435	13.5
81.03413	7.4
85.02895	30.5
86.09704	30.6
87.03187	2.1
88.03979	31.8
91.03986	2.2
97.02872	19.7
99.04440	2.6
109.02879	4.4
112.03963	2.5
115.03902	1.8
126.77480	1.6
127.03928	21.9
132.10182	21.6
143.05765	11.5
144.10173	9.8
145.04919	3.7
161.06821	8.1
164.10683	10.8
186.81720	1.7
194.11783	3.3
210.11166	18.3
212.12802	18.1
230.13841	72.5
258.13321	62.5
276.14392	90.4
276.17459	2.9
392.19012	3.5
438.19611	100.0
456.20627	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05180	1.7
54.55152	1.5
57.03430	2.6
61.02933	2.5
68.70917	1.7
69.03429	14.1
73.02901	2.4
80.89684	1.8
81.03423	11.5
82.06602	2.4
84.08165	14.7
85.02903	37.7
86.09708	31.2
87.03207	2.2
87.04469	3.1
88.03998	60.9
91.03963	1.7
92.44633	1.7
96.04519	2.4
97.02901	21.3
98.09682	2.8
99.04471	3.3
100.61107	1.8
106.15322	1.8
109.02855	2.7
116.10695	2.5
121.45063	2.1
127.03957	16.2
127.73473	1.9
132.10194	15.3
143.05769	9.0
144.10210	25.2
145.04968	8.8
161.06859	7.6
161.99074	1.8
164.07187	2.4
164.10719	8.9
205.42410	2.1
210.11311	23.7
212.12787	19.0
220.07980	2.8
230.13866	71.0
248.14966	3.5
258.13385	55.9
263.38821	1.9
276.14401	89.5
392.19513	3.1
410.20090	3.2
420.18454	3.7
438.19708	100.0
456.14999	5.7
456.20963	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.1
69.03440	3.6
69.38470	0.6
70.06586	0.7
70.21144	0.5
72.05666	0.6
81.03438	3.2
85.02900	5.5
90.05545	1.4
91.05508	1.1
93.07059	1.2
95.05005	0.8
97.02926	3.0
99.04463	3.9
101.22443	0.6
105.07012	0.6
108.86536	0.6
109.02916	3.6
120.77136	0.6
121.06505	100.0
126.05634	0.6
127.03955	4.1
133.06520	0.9
137.05994	0.9
139.33751	0.6
140.10783	0.7
145.05005	1.6
148.07584	3.2
150.09138	36.5
151.07607	0.6
164.07001	0.8
178.08650	1.3
179.07135	0.9
190.05078	4.4
208.09811	0.7
210.11246	10.3
294.16946	1.0
296.09494	0.8
303.98755	0.8
313.17776	0.7
340.08237	1.2
354.15564	2.6
378.91312	0.7
410.12540	1.4
455.78052	0.9
456.12192	7.6
456.22421	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
61.20533	0.8
67.05507	11.0
69.07059	5.7
79.05502	20.3
81.07069	12.8
83.08599	3.8
84.83871	0.9
91.05481	5.0
93.07044	27.0
95.08598	12.1
96.04482	2.2
97.06532	1.2
97.10186	1.3
105.07047	2.4
107.08591	21.7
109.10142	5.1
117.06985	1.2
119.08588	6.2
121.06481	1.5
121.10133	22.9
127.03940	1.4
131.08556	2.2
133.10129	7.5
135.11673	16.1
144.06555	5.9
145.10135	1.4
147.11681	3.9
149.13258	7.0
159.11679	1.3
162.07625	15.0
173.13240	1.2
180.08647	1.2
208.38373	1.0
249.86897	1.0
277.21628	42.6
291.08975	4.0
292.09705	1.9
299.63721	1.3
306.07516	12.6
319.08127	1.6
320.09125	13.2
321.09833	1.3
323.07895	4.0
328.96573	1.1
333.06335	5.0
334.07077	11.7
334.10745	1.3
336.12323	1.4
346.06934	1.9
346.56949	1.1
348.08765	1.4
350.59152	1.0
370.10425	1.1
380.24506	1.0
395.11703	1.7
396.12314	2.3
398.10077	8.6
412.11597	8.8
413.12402	1.7
423.10828	1.4
426.09644	21.5
427.11096	1.2
428.11356	1.6
438.28314	4.1
440.11237	6.1
441.11954	5.6
456.14398	100.0
456.29532	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.00791	0.3
56.05047	7.0
56.48608	0.3
57.03447	1.5
57.07084	6.2
67.05496	0.4
69.07075	0.8
69.16016	0.4
71.08637	5.4
74.06083	100.0
75.04492	5.1
81.07053	0.5
81.75800	0.4
83.08632	0.9
85.10186	3.2
86.06071	0.7
92.07120	6.7
97.10168	0.8
98.98481	2.4
103.10487	0.4
147.38680	0.4
154.02669	0.5
172.03691	5.2
320.09018	0.8
349.09232	0.5
383.25555	0.6
441.90433	0.5
456.30835	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55201	3.0
60.04514	5.5
61.79251	2.9
66.39536	2.9
67.05523	6.0
67.41831	2.9
69.07071	42.9
74.18362	3.3
79.17541	3.2
81.07051	20.2
81.27985	3.8
82.06570	3.4
83.08617	3.5
88.43040	3.3
93.07021	5.3
95.08621	19.7
109.10167	16.2
110.09654	4.4
120.36813	3.2
138.09125	5.4
180.11086	3.9
185.09624	16.4
201.09178	7.0
213.09062	27.6
229.08652	6.5
231.10109	6.9
241.08542	34.6
259.09711	27.3
269.15372	29.2
281.15353	4.1
297.15051	5.6
315.15900	100.0
337.21542	7.2
379.11780	4.4
383.22208	44.3
438.35141	4.6
456.36597	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.5
57.07085	6.4
57.58646	4.1
69.07076	40.9
78.30877	3.3
79.05522	6.6
80.15859	3.5
81.07067	94.3
83.08614	4.1
84.53784	3.7
87.41805	3.7
89.01306	4.1
92.20913	3.8
95.08614	29.9
97.10180	5.5
108.75907	4.2
129.03304	3.9
137.13245	16.5
140.01692	4.2
187.07558	28.2
201.09105	70.2
213.09134	4.4
215.10715	17.1
225.09152	4.4
226.09990	5.6
227.10709	24.5
229.08609	100.0
239.10689	19.8
240.11465	5.7
241.12193	17.4
247.09683	42.7
253.12350	18.2
255.10129	15.3
255.13707	18.7
257.15475	8.2
267.10162	16.2
267.13522	7.8
269.12183	10.8
269.15353	68.7
281.11710	17.8
281.15372	30.2
283.13242	17.8
285.11566	5.2
285.14767	23.1
287.12915	15.0
295.13379	8.2
297.14899	67.7
299.12759	7.9
301.14209	9.5
309.14926	21.9
315.15833	45.9
327.15918	22.6
337.21674	21.9
365.21188	32.1
383.22299	40.9
393.27872	6.9
421.27161	43.8
422.76495	4.3
439.28244	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96075	0.4
56.91833	0.3
58.63152	0.3
59.51627	0.3
59.67635	0.4
69.77931	0.4
69.98033	0.4
70.06571	0.4
71.38166	0.4
76.64742	0.3
81.97341	0.4
85.69666	0.5
90.03613	0.4
138.31346	0.4
144.07971	0.4
145.02832	0.9
149.06013	0.5
177.05464	4.0
252.83549	0.4
292.09769	4.0
318.07547	0.6
320.09174	100.0
338.46356	0.5
408.42819	0.4
457.13950	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39223	0.6
52.69766	0.7
86.04910	0.7
95.78262	0.7
145.15546	0.8
183.69182	0.8
288.21289	0.9
292.09628	1.9
320.09171	100.0
321.09961	28.1
321.13538	1.7
457.13934	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35310	1.1
53.67067	1.2
53.87227	1.1
54.10625	0.9
61.02921	1.3
63.95856	1.2
69.03423	6.2
73.93530	1.2
75.78159	1.3
81.03424	21.9
84.04519	2.3
85.02917	15.5
87.04485	1.5
87.05596	41.7
87.06126	1.4
90.93816	1.3
92.33664	1.2
95.04964	6.5
96.04499	6.3
97.02885	6.5
99.04439	5.2
103.90968	1.3
108.04482	16.7
110.06031	1.7
112.03979	1.4
122.06021	10.9
127.03915	7.3
129.14915	1.5
133.06090	20.2
134.06041	10.8
138.05478	1.5
141.95685	1.4
143.05853	1.5
145.06079	7.9
150.05528	15.1
152.03423	5.2
152.07072	4.9
154.05022	3.1
162.05467	5.6
165.06595	15.1
166.04977	15.1
167.08173	6.1
178.04929	1.7
179.08162	5.0
180.87735	1.3
194.04514	63.6
194.70328	1.5
195.07689	9.0
197.09254	10.1
211.07132	100.0
213.08755	1.8
224.05486	2.2
241.08206	8.7
259.09235	33.7
269.04623	1.6
277.10281	20.8
282.01205	1.7
295.11218	2.0
421.09296	2.0
421.14532	40.2
439.15698	21.5
457.11221	3.3
457.16699	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
53.89908	0.9
64.90026	0.7
69.03442	1.3
70.06611	0.9
71.04995	1.2
80.79387	0.9
81.03426	10.8
85.02898	6.1
97.02880	5.4
99.04456	100.0
117.05487	6.8
125.63303	1.0
127.03895	4.7
136.66768	1.1
137.06003	1.4
145.02853	1.6
145.04916	1.8
147.04384	1.7
149.90286	0.8
177.05466	9.0
181.91768	0.9
188.03625	0.9
238.10085	1.2
261.09610	3.7
300.08606	1.3
301.09061	6.7
457.13089	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
52.42119	1.9
55.19561	1.7
67.41135	1.9
70.06602	4.9
70.21568	2.0
72.04521	8.5
72.08154	4.2
79.05487	3.7
81.03414	3.2
84.04504	3.7
84.08135	3.9
85.98924	2.2
89.07170	2.5
89.17561	1.6
91.05476	11.8
95.04905	2.0
97.02881	2.1
99.04476	9.8
106.06549	10.3
107.04910	2.6
108.04491	4.8
109.06513	3.0
110.06030	4.0
116.07052	2.1
119.04936	13.7
126.05505	9.4
134.06007	57.6
136.04013	3.9
136.07558	11.8
138.05496	40.9
147.04388	21.6
150.05511	2.7
156.53998	2.1
157.03928	2.0
162.05534	4.0
167.08141	8.9
170.58995	2.1
175.03894	75.5
179.08165	30.1
180.06570	11.3
183.51248	2.0
197.09239	17.9
200.86531	2.3
207.06532	100.0
215.10307	3.5
256.23276	2.0
282.46765	2.2
292.66605	2.1
421.16025	75.8
439.16946	9.9
457.14780	20.3
457.17255	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
52.42119	1.9
55.19561	1.7
67.41135	1.9
70.06602	4.9
70.21568	2.0
72.04521	8.5
72.08154	4.2
79.05487	3.7
81.03414	3.2
84.04504	3.7
84.08135	3.9
85.98924	2.2
89.07170	2.5
89.17561	1.6
91.05476	11.8
95.04905	2.0
97.02881	2.1
99.04476	9.8
106.06549	10.3
107.04910	2.6
108.04491	4.8
109.06513	3.0
110.06030	4.0
116.07052	2.1
119.04936	13.7
126.05505	9.4
134.06007	57.6
136.04013	3.9
136.07558	11.8
138.05496	40.9
147.04388	21.6
150.05511	2.7
156.53998	2.1
157.03928	2.0
162.05534	4.0
167.08141	8.9
170.58995	2.1
175.03894	75.5
179.08165	30.1
180.06570	11.3
183.51248	2.0
197.09239	17.9
200.86531	2.3
207.06532	100.0
215.10307	3.5
256.23276	2.0
282.46765	2.2
292.66605	2.1
421.16025	75.8
439.16946	9.9
457.14780	20.3
457.17255	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
58.06592	1.9
69.03429	6.9
70.78761	1.2
74.05608	1.3
81.03417	18.9
83.04964	1.8
84.04491	6.3
84.08170	1.7
85.02900	9.7
91.01635	1.4
97.02898	21.9
99.04453	100.0
109.02911	1.9
111.04403	2.8
114.05556	1.7
117.05499	8.9
120.08109	23.8
121.06497	2.5
127.03933	6.1
130.04974	7.4
131.04919	5.1
132.39920	1.5
136.07526	6.5
142.04997	2.1
148.07564	2.1
150.09091	1.4
162.05478	7.3
164.07019	2.0
166.08623	7.5
177.05455	2.5
186.09129	6.1
188.10648	3.5
192.06586	6.5
194.08125	3.4
208.06017	19.9
232.09650	19.0
234.11290	3.1
238.07162	5.7
261.09613	2.1
278.07443	1.4
278.10162	9.7
373.13861	20.6
373.17908	3.0
421.15720	15.3
439.16751	14.8
447.80832	1.5
457.17722	20.1
477.30014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06996	1.4
63.16668	1.4
69.03407	2.2
70.52212	1.4
72.29322	1.6
74.00668	1.4
76.03965	2.3
81.03402	2.9
93.03417	3.5
94.02928	2.7
96.04491	2.6
99.05589	9.6
105.66910	1.5
108.04485	3.8
120.04469	30.9
122.06047	1.6
124.03950	2.5
127.05047	6.4
130.05035	6.5
134.05991	2.1
145.06079	16.8
148.03920	1.8
148.99998	1.6
150.05492	7.8
154.05115	2.5
155.04514	11.9
161.07030	2.0
166.04976	7.2
168.06529	3.0
177.03372	2.7
177.06607	28.2
179.09093	1.5
180.01436	1.7
182.16714	1.6
187.08406	1.8
189.06639	8.4
189.54649	1.6
196.06004	2.2
205.06187	9.6
207.07574	2.7
223.07146	100.0
235.07111	6.1
239.31522	1.5
241.08206	2.3
253.08165	37.1
260.10275	6.3
271.09244	24.0
278.11365	10.3
289.10294	20.4
295.13257	3.3
373.14301	6.7
421.16568	2.6
435.88556	1.8
439.17383	6.3
457.12704	2.2
457.18585	11.1
460.89471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11091	0.6
54.45662	0.6
59.31992	0.7
65.98978	0.6
78.91827	0.7
172.57600	0.7
215.89836	0.7
221.47157	0.8
245.51794	0.8
266.11890	1.5
313.13248	0.9
320.09164	1.1
321.09903	1.0
336.12476	3.0
347.17828	0.7
358.10522	1.7
387.11374	1.4
387.17041	19.8
388.15350	19.4
388.19800	0.9
415.20239	4.7
416.18671	4.0
429.18106	72.9
429.40872	0.9
441.15375	1.0
457.16028	4.4
457.21362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14397	2.0
69.03421	11.5
70.06599	38.9
72.08147	2.2
74.02443	4.0
80.74975	2.4
81.03405	11.4
84.08128	3.5
85.02906	9.5
86.09721	20.8
96.04498	28.9
97.02882	10.2
99.04446	5.5
103.05515	2.6
107.04939	28.2
112.03949	4.1
119.04929	3.7
120.08104	4.3
120.70614	2.4
121.06499	29.4
127.03918	4.6
130.08662	3.6
131.04898	3.9
133.05231	2.2
136.07584	92.8
138.05516	21.8
144.06577	3.1
146.06053	3.3
147.04404	5.0
148.07573	10.8
156.06621	5.6
159.08037	10.0
160.07619	3.4
164.10715	11.1
166.08650	10.8
169.06441	5.3
169.13342	22.5
177.05475	9.4
178.08641	2.9
186.09056	2.4
187.07520	33.5
188.10551	2.3
197.12854	5.7
202.08557	3.2
208.06039	5.4
210.11267	26.0
212.12914	3.7
214.08647	33.1
218.08134	12.4
232.09756	9.3
244.09773	2.9
250.14404	2.7
258.13330	3.3
262.10696	9.7
278.10309	3.2
280.11819	27.1
295.13397	2.8
295.16547	12.4
297.14502	5.0
327.17197	6.5
349.17639	3.1
367.37650	2.3
373.14169	6.5
373.17630	100.0
403.18591	13.9
421.19940	58.6
439.21167	26.0
457.16714	81.0
457.21796	10.6
457.26920	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
57.03438	1.0
67.05508	6.6
69.07066	4.4
79.05492	1.0
80.60493	0.6
81.07051	8.4
83.08617	2.4
92.20879	0.7
93.07040	1.5
95.08604	7.2
97.06548	1.0
97.10153	1.1
105.07033	1.2
107.08574	1.1
109.10142	3.3
117.40170	0.6
119.08584	0.6
120.96628	7.0
121.10173	1.0
123.11678	1.6
133.10135	0.9
149.13283	0.8
195.00357	4.5
213.00159	1.1
337.27338	4.4
359.25806	0.9
439.22122	1.0
457.23206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2322
Annotation	Vindoline
Peak:m/z	Relative Intensity
55.05509	3.4
57.03448	1.0
57.07072	0.9
58.47685	0.7
65.85006	0.7
67.05499	7.0
69.07067	5.6
79.05487	1.6
79.72737	0.8
80.15904	0.8
81.07064	6.8
83.08626	1.8
93.07027	3.4
95.08615	8.0
96.69251	0.8
97.10165	1.1
107.08563	1.5
109.10210	1.2
119.08607	0.8
119.72886	0.8
120.96671	6.4
121.10116	1.0
123.11671	0.9
141.73338	0.8
149.07253	0.7
154.37267	0.7
163.69917	0.9
169.13417	0.8
174.98492	0.8
195.00284	6.4
213.00046	1.4
270.24133	1.1
337.27368	5.1
359.25589	1.2
376.33789	0.9
392.53482	1.1
439.22601	1.6
457.23209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23579	0.9
54.76497	0.8
55.05513	3.9
63.81205	0.8
67.05514	7.9
69.07063	5.9
79.01868	0.8
79.05511	1.5
81.07056	11.7
83.08614	4.7
84.18730	0.9
88.07612	1.7
93.07021	3.9
95.08606	9.1
97.10177	0.9
107.08570	2.3
109.10143	4.1
119.08582	1.2
120.96631	9.1
121.10125	4.7
123.11743	1.5
133.10133	1.5
141.97435	1.0
147.11685	1.4
163.14833	1.0
195.00391	8.9
203.21452	1.0
212.23677	1.9
213.00134	1.5
256.26294	5.2
321.09476	1.4
337.27298	4.5
457.23206	100.0
457.39966	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
58.69506	2.2
67.05505	12.7
69.07076	22.4
71.04979	5.0
71.12418	2.1
71.79919	2.1
79.05494	4.3
81.07059	17.7
91.05468	5.1
92.21521	5.0
93.07040	14.4
95.08614	23.3
96.74352	2.5
97.06500	3.5
105.07036	38.7
107.08592	21.4
109.10172	24.9
110.31715	2.8
119.08549	9.6
121.10140	18.7
123.11727	5.4
127.11214	3.6
131.08548	3.8
133.06490	63.4
133.10146	6.1
134.07262	25.5
135.08055	99.7
135.11703	11.7
145.10132	10.9
147.11682	14.1
149.13251	4.6
151.07547	28.9
159.11652	11.2
161.13257	5.5
163.11145	3.7
165.03687	53.3
167.05231	5.5
173.13196	3.2
179.05255	17.4
187.14871	2.8
198.13086	2.6
203.17952	3.2
277.16159	14.0
286.98090	3.0
295.17267	100.0
421.35001	3.4
439.35648	14.6
457.27652	49.1
457.33011	6.8
457.36523	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32714	0.6
68.73438	0.7
69.07055	1.5
71.04970	0.7
88.17777	0.6
107.08600	1.1
109.10137	1.8
127.11221	0.9
135.11668	1.2
149.05980	3.3
153.12756	7.2
161.05994	0.9
163.03848	1.0
175.11148	1.4
177.05476	3.1
194.39929	0.8
195.21228	0.8
201.09019	1.1
203.10635	1.9
205.04999	13.0
205.12224	1.7
215.10651	6.4
217.12222	26.7
231.10240	1.6
233.11746	8.0
243.10184	9.0
257.15549	1.2
261.11206	23.7
271.16858	3.9
273.18427	3.1
299.16388	3.6
317.17477	100.0
320.08902	1.4
327.15979	1.2
336.11987	1.5
355.22638	1.6
391.89108	0.8
401.23163	5.6
439.28073	1.2
457.14105	1.0
457.29178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.295
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	1.6
71.05006	1.7
81.07059	2.0
82.28318	1.0
86.45943	1.0
91.70296	0.9
95.08620	1.2
109.10174	1.8
136.65053	1.1
137.97455	1.1
149.06104	1.1
153.12733	5.9
163.03996	1.5
174.24088	1.0
177.05487	4.8
203.10643	2.5
205.04930	10.1
205.12280	3.7
215.10695	6.2
217.12257	21.0
233.11722	7.7
243.10188	8.1
255.17435	1.1
261.11197	21.5
271.16953	3.5
273.18497	5.5
299.16336	7.0
306.07529	1.9
307.07919	2.0
317.17465	100.0
318.08066	1.1
319.08231	4.7
320.08984	5.8
321.09464	5.3
327.16110	1.5
334.06955	3.5
334.10654	3.4
335.07440	2.4
336.12320	2.1
355.22644	1.6
399.10516	3.8
401.23230	4.9
402.09024	1.1
409.07755	1.2
413.12201	2.2
413.28601	1.1
427.09991	7.4
439.28278	2.3
441.11606	2.3
442.11868	2.0
457.14713	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79436	1.8
55.05509	2.1
55.08669	2.8
57.02375	2.3
59.43094	2.5
60.08388	2.1
67.05497	12.7
69.07048	3.4
69.66395	2.3
79.05503	3.8
81.07066	15.5
91.05431	2.7
93.07030	17.3
95.04968	40.0
95.08599	35.0
105.07037	4.1
107.08590	20.5
107.57745	2.6
109.06524	5.1
109.10155	16.6
119.08581	6.1
121.10143	11.5
123.11716	13.4
129.76552	2.3
131.08575	4.8
133.10109	11.3
134.41493	2.4
135.11694	10.1
137.09627	63.0
145.10161	3.4
147.11752	4.2
149.13277	3.5
151.11165	4.7
161.09622	5.6
171.11688	2.5
179.10649	100.0
214.83026	2.5
457.27521	19.6
457.33078	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.07072	1.7
57.46020	1.4
60.63541	1.7
67.05508	8.8
69.07053	2.4
73.03391	1.4
79.05507	4.1
81.07061	15.5
92.24577	1.8
93.07051	8.5
94.47865	1.6
95.04980	16.0
95.08616	18.8
105.06990	1.8
107.08590	16.7
109.06490	2.1
109.10158	17.2
111.04415	2.1
117.07069	1.8
119.08588	2.1
121.10168	7.8
123.11699	8.1
131.08646	1.9
133.10138	8.9
133.32675	1.8
135.11688	9.7
137.09613	22.3
145.10127	3.1
147.11696	2.3
149.13300	7.0
151.11180	12.3
159.11729	2.5
161.09625	4.2
161.13271	3.6
165.35587	1.9
173.13269	3.1
175.14876	1.9
179.10670	100.0
197.11745	49.6
233.85963	1.6
243.21039	3.9
261.22144	15.3
457.27524	51.0
457.33221	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41221	0.6
52.80483	0.7
55.05532	0.9
55.76036	0.9
57.07075	2.1
67.05523	1.0
69.07068	1.6
70.06586	5.4
71.08631	1.7
81.07065	1.6
88.07632	20.4
93.07044	1.9
95.08616	1.5
97.06567	1.1
97.10194	1.8
102.09183	11.2
107.08610	1.3
121.10123	7.5
138.12834	4.4
139.11185	4.5
149.09637	2.1
156.13921	1.7
184.13257	8.3
210.15012	1.4
211.13379	1.2
212.23769	1.3
228.15944	23.9
256.26340	100.0
274.27414	4.6
457.22925	8.5
457.40036	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54070	0.4
56.93605	0.4
58.08360	0.3
59.85871	0.4
65.78033	0.4
76.62140	0.4
80.60365	0.4
93.51767	0.4
102.29060	0.4
137.02419	2.0
140.74258	0.4
220.17172	0.4
278.08148	3.9
279.08994	2.3
294.11270	1.7
306.07593	5.8
307.08350	30.5
308.09048	0.8
318.07608	0.6
319.08383	1.7
320.09000	3.6
322.10727	100.0
334.10657	2.2
414.13849	0.5
443.09900	1.0
458.12213	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02334	0.4
63.42762	0.6
66.92789	0.5
67.11626	0.5
67.50856	0.5
73.87204	0.6
100.88981	0.5
102.59590	0.6
128.66801	0.5
137.02312	1.2
144.51405	0.5
225.07605	0.7
278.07968	1.1
279.08737	1.0
294.11151	2.3
303.58038	0.6
306.07535	2.8
307.08377	24.9
318.07596	1.1
318.17755	0.9
319.08237	0.7
320.08969	1.3
322.10721	100.0
334.10632	1.4
335.11142	0.8
384.48642	0.6
453.46024	0.7
458.12201	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69167	0.4
55.79100	0.5
57.35209	0.5
74.47379	0.5
78.48451	0.5
92.21476	0.7
95.86359	0.7
116.63271	0.5
240.58057	0.6
256.31717	0.7
307.08383	7.9
308.09167	0.8
319.08472	2.4
320.09213	4.0
321.09534	0.8
322.07089	6.8
334.06995	2.1
334.10748	4.9
336.12161	0.9
378.55063	0.6
415.10443	5.2
442.09393	2.6
443.09958	45.6
458.12238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75716	0.5
53.05964	0.4
56.30149	0.5
60.35246	0.5
60.36708	0.4
63.56411	0.5
68.92455	0.6
95.08595	0.5
174.97415	0.5
191.62433	0.6
194.80357	0.5
246.52780	0.5
247.16917	0.5
320.09018	2.1
321.09753	2.0
322.10431	0.6
334.10623	0.7
336.12225	2.8
337.12839	0.6
399.11075	0.9
400.11877	4.4
413.12546	0.9
414.13330	30.3
415.14053	3.2
426.13385	7.7
427.10339	0.6
428.11267	25.4
429.12036	0.9
431.10883	0.6
442.12817	44.6
443.13654	29.0
458.15897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.1
69.03394	1.3
70.33911	1.0
81.07040	1.6
85.02934	1.1
95.08546	1.6
107.08555	1.0
119.08526	2.1
121.06544	6.6
125.09575	0.9
129.44138	0.9
133.10100	1.7
152.18063	0.8
231.08586	1.4
281.65347	1.0
292.09451	5.7
294.11050	1.6
319.08124	2.0
320.09140	17.6
321.10001	10.7
322.10400	1.1
323.11295	1.2
327.19656	0.9
329.10767	0.9
334.10617	6.5
336.12271	37.7
344.12851	1.5
353.49786	0.9
370.10376	4.6
372.12317	32.7
384.12051	2.1
386.13904	1.7
387.14392	4.8
397.12906	2.1
398.13831	1.1
400.11801	19.8
401.12280	1.2
412.24805	1.6
414.08630	0.9
414.13336	17.8
416.14636	2.2
426.13135	5.4
428.10989	13.1
442.12708	22.2
443.13675	11.6
458.15555	100.0
458.29480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.1
69.03394	1.3
70.33911	1.0
81.07040	1.6
85.02934	1.1
95.08546	1.6
107.08555	1.0
119.08526	2.1
121.06544	6.6
125.09575	0.9
129.44138	0.9
133.10100	1.7
152.18063	0.8
231.08586	1.4
281.65347	1.0
292.09451	5.7
294.11050	1.6
319.08124	2.0
320.09140	17.6
321.10001	10.7
322.10400	1.1
323.11295	1.2
327.19656	0.9
329.10767	0.9
334.10617	6.5
336.12271	37.7
344.12851	1.5
353.49786	0.9
370.10376	4.6
372.12317	32.7
384.12051	2.1
386.13904	1.7
387.14392	4.8
397.12906	2.1
398.13831	1.1
400.11801	19.8
401.12280	1.2
412.24805	1.6
414.08630	0.9
414.13336	17.8
416.14636	2.2
426.13135	5.4
428.10989	13.1
442.12708	22.2
443.13675	11.6
458.15555	100.0
458.29480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
58.06606	2.0
70.06592	1.5
81.03439	3.1
83.05009	1.3
85.02930	2.8
91.05476	2.0
98.06041	1.5
99.04460	1.9
106.74675	1.4
109.02917	1.5
119.04955	17.7
125.04729	24.1
127.03888	2.3
136.07594	28.7
145.02866	2.0
147.04428	22.4
152.07098	11.1
157.03992	1.7
170.08086	1.6
175.03912	76.5
177.05446	5.7
180.06549	12.8
198.07646	15.8
207.06535	100.0
216.08795	1.7
422.14490	28.5
440.15546	28.7
458.16592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
58.06606	2.0
70.06592	1.5
81.03439	3.1
83.05009	1.3
85.02930	2.8
91.05476	2.0
98.06041	1.5
99.04460	1.9
106.74675	1.4
109.02917	1.5
119.04955	17.7
125.04729	24.1
127.03888	2.3
136.07594	28.7
145.02866	2.0
147.04428	22.4
152.07098	11.1
157.03992	1.7
170.08086	1.6
175.03912	76.5
177.05446	5.7
180.06549	12.8
198.07646	15.8
207.06535	100.0
216.08795	1.7
422.14490	28.5
440.15546	28.7
458.16592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06567	0.3
59.57734	0.3
69.91244	0.3
70.06548	0.4
85.02857	0.4
99.04449	1.2
107.04913	0.7
107.40441	0.3
123.44794	0.3
163.03893	4.3
175.06223	0.6
281.10358	1.7
296.12805	100.0
412.77786	0.4
458.18182	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
53.77570	0.5
56.64577	0.5
64.50295	0.5
69.03430	2.8
71.05006	0.9
72.08118	0.7
81.03415	6.3
83.96697	0.6
85.02913	12.2
97.02889	3.9
99.04455	100.0
102.03961	0.5
109.02885	3.4
113.82482	0.6
117.04183	0.7
117.05490	17.8
127.03915	6.2
145.04996	3.2
151.07547	0.8
175.65291	0.7
178.08644	3.7
188.66661	0.7
221.96062	0.6
226.05923	0.9
243.08638	2.7
261.09674	21.4
279.10739	3.5
296.11417	1.1
344.41165	0.6
387.12576	0.9
423.14920	1.2
458.21259	4.6
467.11499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
57.26773	0.5
57.60868	0.5
58.56673	0.5
59.42727	0.4
68.56108	0.5
69.03443	3.7
71.04987	1.2
72.15404	0.5
78.01906	0.4
81.03424	6.1
82.05875	0.5
84.08151	0.6
85.02907	9.9
94.28738	0.5
97.02888	5.0
99.04455	100.0
109.02882	4.4
111.96576	0.5
116.98624	0.5
117.05490	15.3
120.08093	3.1
121.06496	0.7
127.03911	5.5
145.04945	4.0
163.06030	0.6
166.08627	1.9
176.77722	0.5
224.51431	0.6
243.08603	1.2
261.09686	17.1
279.10736	2.6
306.36871	0.6
423.14581	0.9
458.14969	3.6
458.21323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99627	0.7
71.86761	0.6
91.05524	0.6
92.21507	0.7
104.80824	0.6
129.32822	0.7
203.21022	0.6
290.08078	0.8
292.09653	7.4
304.09631	0.8
306.07556	0.9
318.07513	9.5
319.08234	0.9
320.09122	15.4
321.09918	28.1
334.10663	3.8
335.11322	0.8
336.12283	100.0
370.10785	2.1
372.12219	8.0
387.14783	1.2
400.12003	5.2
412.11618	2.2
414.13321	3.1
416.14667	0.9
424.15601	0.7
428.10742	3.9
442.12402	2.6
443.13553	1.8
458.13547	7.5
458.19473	43.6
459.65799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18682	0.3
71.89242	0.4
77.72136	0.3
98.09566	0.4
100.52493	0.3
137.97336	0.3
146.94626	0.4
248.73151	0.4
279.08936	1.5
294.11276	15.2
306.11169	0.9
308.09164	4.8
322.10715	14.3
323.11517	36.9
330.18872	0.5
334.10681	0.9
338.13849	100.0
358.11636	0.5
428.11301	0.5
442.12897	0.8
458.15427	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88097	0.3
53.47584	0.4
54.02926	0.4
54.68702	0.4
56.20314	0.3
80.10417	0.4
81.07056	0.7
93.07029	0.6
119.08580	0.6
178.78691	0.4
210.60373	0.5
345.09903	0.7
360.12332	1.7
370.10770	1.6
382.10736	1.0
386.10193	13.6
400.15436	2.7
414.16998	21.3
426.16965	10.4
428.14914	23.9
442.16479	43.6
443.17181	13.8
458.19623	100.0
458.27451	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14803	0.3
58.80899	0.3
63.77568	0.3
71.56546	0.3
93.07126	0.3
96.13531	0.4
98.95486	0.3
150.74855	0.4
174.51033	0.3
281.26678	0.4
292.09711	2.2
308.12656	0.7
318.07880	0.8
319.08414	1.6
320.09171	28.9
321.09918	5.3
334.10806	4.6
336.12280	100.0
458.12350	2.4
458.19748	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67350	0.4
60.65274	0.4
62.83092	0.5
63.48204	0.4
64.36404	0.5
66.33239	0.5
85.02907	0.9
86.09730	1.2
117.05486	0.7
117.07013	2.5
132.10204	0.7
137.06001	3.8
145.06479	12.2
163.07541	35.3
180.10196	100.0
235.60345	0.6
286.06235	0.6
440.20145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	6.6
67.09278	0.5
69.03391	0.7
70.06554	0.6
71.04116	0.4
80.17712	0.4
85.02882	0.8
90.57500	0.4
97.14373	0.4
108.49261	0.4
109.33746	0.4
140.19127	0.4
162.10246	8.9
211.04720	0.4
223.02225	0.4
246.96251	0.4
265.08551	0.8
278.14978	0.4
281.08072	0.8
296.09109	11.3
296.16037	100.0
297.11215	0.5
338.17044	0.7
342.16940	2.4
458.15118	2.6
458.21381	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30433	0.3
58.06613	3.5
61.14082	0.3
61.46041	0.3
63.25859	0.3
65.62125	0.3
69.03408	0.4
70.06587	0.6
85.02894	0.9
105.45942	0.3
162.10255	9.2
177.15405	0.4
225.97299	0.4
226.40857	0.5
236.82484	0.4
239.26169	0.4
258.21481	0.4
265.08511	0.5
278.14957	0.7
281.08209	0.5
296.09158	17.8
296.16043	100.0
341.16324	0.5
342.17090	0.6
355.22763	0.5
369.07303	0.5
379.27591	0.4
458.14713	4.3
458.21289	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	6.6
67.09278	0.5
69.03391	0.7
70.06554	0.6
71.04116	0.4
80.17712	0.4
85.02882	0.8
90.57500	0.4
97.14373	0.4
108.49261	0.4
109.33746	0.4
140.19127	0.4
162.10246	8.9
211.04720	0.4
223.02225	0.4
246.96251	0.4
265.08551	0.8
278.14978	0.4
281.08072	0.8
296.09109	11.3
296.16037	100.0
297.11215	0.5
338.17044	0.7
342.16940	2.4
458.15118	2.6
458.21381	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.6
57.03453	0.5
58.06609	0.6
61.02922	0.8
69.03436	2.6
69.07066	0.6
70.06591	0.7
71.04996	12.1
73.73182	0.5
78.60867	0.5
81.03400	0.6
85.02910	8.9
87.04456	0.9
97.02905	3.5
99.04469	2.0
109.02901	0.9
113.02419	0.8
120.08112	2.9
123.04457	0.8
125.09628	1.2
127.03912	2.8
127.11178	7.5
131.03447	0.7
137.05971	4.4
142.12239	3.9
143.10742	1.0
145.04910	0.6
147.04422	0.6
149.06000	3.9
152.07092	1.3
159.07994	0.5
161.06020	0.6
163.03888	0.8
163.07500	4.8
166.08574	1.0
167.07071	0.9
173.06035	1.2
175.07532	19.3
177.09084	6.2
178.08682	3.0
180.10225	0.5
187.07568	3.4
189.09090	16.9
201.09148	1.2
203.10725	0.7
206.11855	0.6
225.12770	0.6
233.10078	0.9
233.15417	2.9
243.13757	6.8
260.16537	4.8
261.14856	4.1
278.17499	50.4
295.12692	0.7
296.13022	2.5
296.18518	14.8
319.18729	0.5
351.97141	0.5
417.03479	2.5
458.23877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23072	1.6
55.05504	1.7
61.28037	1.6
67.05508	2.8
68.05036	18.1
69.07068	2.0
70.06606	2.5
71.47360	1.8
75.35690	1.6
79.05495	1.8
79.96450	1.9
81.07073	2.0
83.08644	2.0
84.08174	2.5
95.08614	2.8
100.07635	3.4
100.29436	2.0
102.59837	1.7
106.62019	1.8
112.07612	23.2
114.05534	88.3
114.06311	3.5
128.07091	28.5
128.57411	1.5
130.08595	2.7
135.43143	1.7
140.07054	1.9
142.08682	2.2
151.64027	2.0
156.06569	100.0
158.08139	44.6
158.09312	3.1
160.06071	22.5
162.91544	1.6
170.08128	1.7
172.06128	11.0
174.07639	2.5
178.22720	1.9
184.26112	2.0
194.75060	1.8
196.87041	1.8
202.07146	38.7
255.25414	1.9
276.68243	1.7
318.28024	3.2
346.27078	2.4
348.28986	3.2
364.28516	9.4
394.29572	17.9
412.30579	21.4
422.29013	4.0
440.30191	13.8
458.20972	2.5
458.31155	92.8
461.29807	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26414	1.0
54.34607	0.9
55.05499	2.0
67.05510	1.9
68.05026	15.5
70.06586	5.1
79.05463	1.1
81.07065	4.8
83.08633	2.1
84.08134	5.4
92.21526	1.8
93.07032	2.1
95.08613	7.5
96.08132	1.4
100.07598	2.6
103.95903	1.5
109.10162	2.0
112.07608	34.2
114.05526	85.9
119.08509	1.8
126.05547	1.3
128.07071	23.8
130.08644	1.7
144.06532	2.5
147.62505	1.2
156.06537	68.7
158.08116	64.9
160.06056	9.0
170.08098	1.3
172.06070	5.0
178.08728	1.7
187.20439	1.3
202.07106	19.5
243.62180	1.2
318.27881	6.2
336.12424	1.8
346.27539	6.5
348.28894	6.0
364.28409	7.2
376.28378	3.0
392.27618	1.7
394.29553	19.7
412.30560	19.9
422.28918	1.9
440.30093	7.7
458.31100	100.0
474.25955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.8
55.65010	12.2
65.57771	11.3
65.67260	9.3
67.05507	72.1
69.03423	43.5
69.07066	16.7
70.39835	10.0
71.04960	11.2
76.13705	11.6
79.05499	50.5
81.03424	76.9
81.07063	82.6
83.08640	12.4
85.02897	20.1
87.36662	12.4
91.05493	14.5
93.07049	72.9
95.08607	100.0
97.02890	26.2
102.77174	12.4
105.07021	20.9
107.08598	49.5
109.02853	18.9
109.10148	26.3
112.07578	14.2
114.05576	17.0
119.08569	50.6
121.10142	50.8
127.03932	13.4
131.08559	15.3
133.10127	17.9
135.11713	28.4
145.10143	24.3
147.11766	17.7
149.13290	16.8
159.11705	26.9
164.07072	27.4
172.73914	12.5
270.37158	11.7
278.20120	11.7
309.73093	13.9
334.10892	16.9
362.96915	14.4
369.24271	28.0
387.25439	26.8
405.26334	49.5
423.27292	23.2
440.29553	13.5
458.27197	34.5
458.32162	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01878	10.9
55.05515	3.8
56.83333	2.0
57.03442	2.4
67.05509	32.3
67.54858	2.0
69.03436	24.3
69.07046	12.2
71.04995	5.4
73.02924	9.2
78.45475	2.2
79.05506	22.6
81.03421	28.5
81.07061	36.8
82.44350	2.4
83.08631	6.1
85.02894	5.4
87.04216	2.7
91.05462	5.2
93.07050	25.8
95.08608	37.5
97.02901	33.6
97.06573	2.8
97.10129	2.7
99.04458	65.3
101.02414	2.8
105.07027	10.8
107.08553	17.8
109.02890	34.2
109.10150	23.7
117.06994	3.3
119.08562	9.9
120.78205	2.4
121.10131	16.7
123.11700	6.1
127.03917	68.8
131.08568	4.3
133.10100	4.8
135.11671	17.1
145.04924	6.0
145.10098	4.0
147.11694	5.9
159.11711	3.7
161.13300	4.1
229.14328	3.1
256.26331	9.8
261.22107	9.4
277.21533	3.5
369.24310	4.4
371.00870	3.0
405.26392	4.8
405.62427	2.7
423.27399	100.0
437.09692	2.8
458.28015	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18953	0.5
54.58125	0.6
55.05521	0.8
57.03454	0.9
58.06604	18.8
59.07383	6.1
60.08171	5.8
64.23285	0.6
65.94298	0.6
67.05516	2.6
69.07069	2.8
70.06599	4.3
75.04483	1.0
79.05487	0.9
81.07067	1.6
83.08624	1.5
87.04469	1.4
88.07627	1.0
89.97353	0.7
93.07050	1.3
95.08605	2.6
97.06526	1.7
102.09184	1.0
107.08627	1.4
109.10165	1.2
113.05967	0.9
115.08715	3.8
116.07114	2.9
121.10144	3.3
135.11684	1.5
144.10207	9.1
149.13295	0.7
152.24156	0.7
162.11282	1.0
236.14906	100.0
256.26288	3.7
257.26627	6.9
297.60544	0.7
341.10617	1.0
358.07089	16.0
372.08972	0.9
373.09534	1.0
386.06451	1.6
396.08588	1.1
396.34607	1.1
398.13782	1.0
400.11725	0.9
414.09506	9.3
426.13235	1.3
428.11560	1.2
440.33798	9.6
458.16040	32.8
458.34747	76.9
458.40277	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	32.6
62.89009	3.2
70.35725	3.1
71.08341	2.8
71.08641	50.7
77.29143	3.3
85.10188	25.0
86.77962	2.9
87.57613	3.2
87.86626	3.4
89.06032	62.9
93.07048	15.0
104.85422	3.0
105.07054	4.5
121.06497	75.2
133.08665	24.1
147.08018	6.9
148.95831	3.5
163.11102	4.0
165.09142	17.8
213.14813	5.3
215.50510	3.7
221.39792	3.2
236.88078	3.3
247.20517	16.2
254.40221	3.2
291.23154	4.7
315.18030	75.9
323.55719	3.3
425.27673	3.7
435.20389	4.1
441.32138	100.0
458.28604	5.5
458.33728	5.2
458.38980	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16515	0.9
54.54035	0.9
55.05515	6.4
57.07076	4.0
58.06607	10.8
59.07384	1.7
60.08164	5.5
65.48953	0.8
67.05511	1.5
69.07063	9.5
70.06596	4.2
70.56650	1.0
71.08639	2.0
75.04485	1.2
78.74364	0.8
79.05521	1.5
79.34739	0.8
81.07055	3.7
83.08628	5.1
85.10236	1.4
87.04490	1.1
88.07618	8.1
95.08617	1.7
97.10177	5.4
102.09196	5.1
102.50098	1.1
106.08710	1.0
121.10139	4.3
139.11214	3.9
144.10170	1.9
169.08559	1.2
229.14345	29.2
256.26321	34.0
267.20316	1.0
274.27487	1.0
290.26944	1.0
386.79230	1.0
426.77667	1.1
458.12991	1.0
458.38470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1258
Annotation	Reduced FMN
Peak:m/z	Relative Intensity
50.75743	0.8
53.18845	0.9
57.03455	0.9
68.73710	0.9
73.70097	1.0
74.81802	0.9
92.21600	1.3
103.34525	1.0
246.82986	1.0
297.08499	3.5
459.12595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75743	0.8
53.18845	0.9
57.03455	0.9
68.73710	0.9
73.70097	1.0
74.81802	0.9
92.21600	1.3
103.34525	1.0
246.82986	1.0
297.08499	3.5
459.12595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
56.88216	0.3
69.03434	3.2
71.04986	1.4
75.21290	0.3
81.03426	9.9
83.10502	0.4
85.02921	4.4
89.96510	0.3
97.02897	5.7
99.04456	100.0
109.02869	1.6
114.90430	0.3
117.05485	8.0
124.98419	0.4
127.03899	3.0
145.04980	1.9
158.78560	0.3
218.84880	0.4
243.08716	1.5
247.14055	0.5
261.09668	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
62.59592	0.6
68.89530	0.6
69.03416	1.7
70.08987	0.7
71.05015	1.2
72.78952	0.7
77.99032	0.7
81.03422	11.1
85.02905	4.1
91.35833	0.6
95.97826	0.8
97.02895	6.5
99.04456	100.0
106.32401	0.8
109.02902	1.2
114.12116	0.8
117.05475	9.4
127.03896	3.8
143.77875	0.8
145.04942	1.8
243.08621	1.2
261.09604	1.7
270.03302	0.8
347.98459	0.8
406.14627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16195	0.4
53.03955	4.1
61.23476	0.4
63.52887	0.5
68.66956	0.5
69.03422	3.7
71.04992	1.2
81.03423	10.2
85.02897	5.4
93.98173	0.5
97.02889	5.6
97.70806	0.6
99.04454	100.0
100.91882	0.5
109.02885	1.2
116.20105	0.5
117.05496	10.1
127.03905	3.5
145.04967	3.1
191.17287	0.6
243.08891	0.6
261.09665	3.6
387.61505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47627	0.3
53.03963	3.9
64.24412	0.4
69.03443	3.7
70.06564	0.4
71.05001	1.0
72.08167	0.7
77.52473	0.3
79.05988	0.3
80.25605	0.4
81.03427	9.9
84.33420	0.4
85.02917	5.3
86.09698	0.5
97.02900	4.9
99.04462	100.0
109.02899	2.3
117.05504	8.1
127.03915	3.9
145.04927	3.0
149.06129	0.4
149.88780	0.4
153.05495	0.7
177.05562	0.6
206.08061	0.6
219.01740	0.4
243.08676	1.7
261.09653	4.1
297.16431	1.5
301.98105	0.4
307.07932	0.5
459.17252	2.0
459.22696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89841	0.4
52.41910	0.4
57.35004	0.4
58.06592	0.7
70.06566	0.8
76.97362	0.4
86.09695	2.3
88.07741	0.4
89.35817	0.4
102.05460	0.4
109.78175	0.4
139.77684	0.4
149.05992	0.5
150.06783	1.0
155.08313	0.4
162.05544	0.5
175.06276	0.5
177.07855	2.6
178.08624	2.0
188.07071	6.2
189.07971	0.6
190.08621	88.8
191.09473	0.7
192.10226	0.5
200.98619	0.4
202.08621	28.4
218.86000	0.5
275.07104	0.6
295.00372	0.4
295.09747	0.4
296.10419	2.1
297.09518	0.9
297.12335	7.4
308.10248	2.1
308.13324	3.5
310.10812	1.3
322.10553	0.8
323.11533	4.5
324.12296	14.2
338.13837	35.5
339.14667	10.9
369.14453	0.7
372.12628	7.1
396.86694	0.4
414.13266	0.8
459.15863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78594	0.5
58.06598	2.4
65.70300	0.5
69.34457	0.6
77.03767	0.5
85.80034	0.6
138.06616	0.8
149.06042	0.7
163.10579	0.7
177.07884	2.6
178.08678	1.0
188.07063	7.6
190.08621	98.2
191.09438	0.8
193.03232	0.7
202.08611	32.7
271.02777	0.7
295.09674	1.0
296.10242	3.2
296.16040	1.3
297.09290	4.2
297.16348	5.6
308.09915	1.0
308.12903	3.6
323.11258	4.1
324.12256	18.9
338.13821	37.5
339.14581	11.7
372.12637	7.2
414.13818	0.7
459.15817	100.0
459.21088	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17721	0.5
56.45732	0.6
58.06609	13.5
59.68788	0.6
70.06580	0.9
70.95442	0.5
71.04995	1.6
71.43549	0.7
72.08093	0.6
79.29945	0.7
86.09705	1.2
87.04465	0.7
87.73646	0.6
99.04498	1.1
129.05466	0.7
147.30058	0.6
175.06248	0.8
177.07898	2.7
178.08658	2.8
188.07091	6.8
190.08632	100.0
191.09502	1.0
195.73521	0.8
202.08636	36.0
213.25592	0.7
275.06995	1.2
293.08139	0.9
296.10352	1.2
308.12946	3.4
311.08994	1.6
323.11554	3.3
324.12302	17.5
338.13849	40.3
339.14725	13.7
350.18710	0.8
356.14999	6.7
372.12628	6.6
407.54703	0.8
414.13260	0.7
459.15866	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.0
72.89220	0.7
79.22693	0.6
82.03617	0.6
85.02908	1.1
97.02880	0.7
98.10260	0.6
99.04488	0.9
103.89218	0.6
119.04964	1.2
147.04417	1.4
149.06029	0.9
150.06773	1.1
160.50473	0.7
175.03900	5.6
177.87895	0.7
178.08589	0.7
188.07056	7.1
190.08618	91.6
191.09412	0.9
202.08629	31.9
203.05063	0.7
207.06467	7.7
275.07034	1.1
296.10223	1.0
297.09338	1.0
297.12381	3.4
308.09937	1.0
308.13077	4.6
310.10571	0.7
311.11539	0.8
323.11542	3.4
324.12256	17.9
338.13840	39.4
338.17960	1.4
339.14648	12.2
372.12701	8.2
414.13242	0.7
459.15820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66417	1.0
66.02644	1.0
72.76296	1.1
73.37736	1.2
77.84813	1.1
91.05468	1.6
92.20875	1.6
93.11604	1.3
93.72523	1.2
95.04962	1.5
97.76125	1.3
99.04472	1.9
105.07036	8.2
107.04962	7.0
114.09176	7.2
115.05455	2.8
119.08562	1.3
123.04472	2.0
125.05994	5.4
129.06906	4.2
131.04935	2.1
132.05727	1.8
133.06499	11.4
135.04381	2.2
137.05994	3.2
143.06056	1.4
144.08075	2.8
145.02742	1.6
147.08078	2.4
151.07549	12.8
153.05470	13.3
154.17296	1.2
159.08057	11.2
160.05251	1.6
161.05943	14.8
163.03949	1.7
166.06284	2.9
167.07036	93.6
172.05194	1.6
175.07559	36.9
177.05423	2.5
179.07056	3.2
180.07829	2.2
186.06760	1.8
187.07565	26.1
190.06198	2.1
191.07045	6.4
191.08601	2.3
197.08090	2.6
199.07591	13.4
205.04930	5.6
207.06523	2.8
209.08089	5.2
217.08574	2.1
218.07393	1.6
219.08023	6.3
221.09621	3.1
231.08067	6.2
232.08899	1.6
233.09697	5.5
235.07603	2.7
237.09198	2.2
245.09660	1.9
247.07555	7.0
248.08354	6.5
249.09097	7.0
251.10602	2.5
253.08759	1.5
255.08626	17.0
259.07578	4.3
260.08395	1.6
261.09003	5.1
263.07019	1.5
263.10559	5.8
264.07800	7.3
264.11136	1.3
265.08542	8.3
268.36252	1.4
275.07080	5.0
276.07816	7.7
277.08545	12.5
278.09473	2.8
279.10153	7.4
281.08163	1.5
281.11679	6.2
287.07074	2.5
288.07800	1.3
289.08496	6.5
291.10223	12.8
292.07178	2.0
292.10779	1.6
293.08160	8.9
293.11475	2.5
294.08737	2.1
296.10339	2.1
297.11343	5.8
301.08701	2.3
304.07278	4.8
305.08246	10.2
306.08887	2.1
307.09622	9.2
308.10449	8.0
309.07791	2.1
309.11002	10.4
311.12903	2.0
318.09021	1.5
319.09622	16.5
320.10361	5.7
321.11267	15.7
323.12805	7.0
324.09811	2.3
325.10815	2.3
336.09735	2.1
337.10605	15.0
339.12256	100.0
340.13089	24.2
351.12265	37.8
352.12964	12.8
383.14877	26.1
395.14954	14.6
429.15280	6.6
441.15396	26.8
449.08224	1.6
459.16949	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1651
Annotation	deoxytryptoquialanone
Peak:m/z	Relative Intensity
54.80333	1.1
67.05499	1.8
95.04974	8.9
99.04456	2.2
107.04948	3.0
112.15991	1.6
123.04425	2.7
129.29485	1.5
145.06516	2.3
147.04456	2.6
153.05528	1.3
157.92867	1.5
161.06030	2.2
167.07025	22.5
173.06046	3.0
179.07016	33.1
181.04938	15.1
181.06367	1.3
187.07559	3.1
190.06226	1.4
192.04156	2.3
199.07515	2.2
201.09225	2.6
203.07146	1.4
204.07774	1.5
205.08659	9.2
207.06522	100.0
227.07204	3.4
231.10210	6.4
261.11349	1.5
269.08194	1.6
273.07632	2.0
277.10794	6.3
295.09921	1.5
297.07593	2.0
301.10739	1.7
305.10144	16.7
320.09131	2.7
327.12000	1.8
328.09149	2.0
329.09995	11.2
334.10886	6.9
337.12827	2.5
340.89044	1.5
343.11884	2.7
344.12589	2.7
359.15314	3.9
361.12946	3.0
367.11826	2.4
459.16565	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27610	0.7
55.06977	0.8
56.90661	0.7
57.68431	0.7
61.00457	0.7
65.87856	0.9
66.63293	0.9
82.39740	0.9
96.45908	1.1
268.19156	0.9
290.08084	10.7
293.06073	0.9
302.08008	4.4
304.06088	13.6
318.07654	11.7
319.04645	2.0
319.08389	52.3
334.10712	100.0
365.63889	0.9
459.16617	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27610	0.7
55.06977	0.8
56.90661	0.7
57.68431	0.7
61.00457	0.7
65.87856	0.9
66.63293	0.9
82.39740	0.9
96.45908	1.1
268.19156	0.9
290.08084	10.7
293.06073	0.9
302.08008	4.4
304.06088	13.6
318.07654	11.7
319.04645	2.0
319.08389	52.3
334.10712	100.0
365.63889	0.9
459.16617	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08500	0.1
55.27773	0.2
62.64287	0.2
65.83383	0.2
70.55547	0.2
87.15793	0.2
92.21520	0.3
92.41753	0.2
117.99246	0.3
126.74129	0.2
131.04898	0.2
138.06572	0.2
146.56058	0.2
165.50629	0.2
178.38847	0.2
276.06509	0.3
290.08102	8.4
296.09103	2.2
297.09485	6.6
302.08176	3.5
304.06003	8.6
318.07605	11.5
319.08386	41.0
334.10718	100.0
459.16162	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86124	0.8
57.43742	0.7
58.06608	0.9
60.04528	1.7
63.19287	0.8
70.06593	1.8
72.04513	4.3
72.08154	5.2
80.40422	0.7
84.08185	0.8
85.02920	0.9
86.09720	6.3
90.05559	4.4
98.86906	0.7
99.04449	1.4
118.05019	9.4
125.67592	0.7
135.04413	9.2
137.05963	1.9
149.06001	8.7
153.05524	0.9
163.03897	1.1
175.03958	0.9
177.05467	3.4
178.08636	1.6
188.07076	36.2
188.08687	1.5
188.97389	0.8
189.07864	14.7
190.08585	8.0
192.10258	1.2
196.34187	0.8
206.08119	17.4
211.81082	1.0
235.07680	1.1
247.07639	4.6
253.08659	1.0
261.14597	1.7
263.07196	1.1
275.07037	8.2
283.09729	1.5
285.09454	1.0
289.74402	1.0
293.08185	3.2
295.97141	1.0
297.16440	1.8
308.09030	1.0
309.10043	1.3
311.09161	1.8
324.12305	15.9
328.26596	0.9
334.58728	0.8
336.12393	1.0
342.09183	1.4
342.13345	31.5
342.17233	1.5
354.13452	1.2
372.14505	1.0
413.05493	0.9
414.15823	1.6
431.01831	1.0
431.12473	1.4
459.17621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2482
Annotation	His Phe Arg
Peak:m/z	Relative Intensity
51.07996	1.3
57.07089	1.8
62.10221	1.6
67.05518	3.2
67.45600	1.8
69.07065	4.1
81.07068	3.3
83.08627	3.8
92.21027	2.0
93.07092	2.6
95.08618	2.0
97.10179	1.8
102.77092	1.6
107.08623	2.7
109.10183	3.5
120.96674	6.9
126.00042	1.5
126.12064	1.5
144.47621	1.6
195.00380	7.4
229.14265	1.7
339.28912	8.0
419.51685	2.0
459.24905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.53633	2.4
55.01860	4.7
55.05526	7.8
57.03448	7.4
67.05515	14.0
69.03426	5.4
69.07056	7.9
70.28797	3.0
71.05009	3.8
76.07635	14.7
81.03430	8.4
81.07050	20.1
87.44955	3.5
88.13594	3.2
91.05513	13.4
93.07028	7.5
95.04938	7.1
95.08587	7.8
97.10144	4.5
105.07010	7.7
107.05010	5.1
107.08575	6.7
107.47723	3.3
109.02945	3.8
109.10181	8.6
116.29641	3.4
119.08587	7.3
121.06505	6.3
121.10111	6.8
123.01819	3.9
131.08562	14.5
133.10187	3.4
135.08041	4.1
143.08562	7.2
145.10106	19.6
147.11624	4.2
149.09660	4.1
155.08572	21.7
157.10106	5.6
159.08066	5.0
159.11746	6.7
161.05965	3.6
164.07065	14.0
167.08572	6.3
169.10118	19.2
171.11591	5.5
179.08458	4.8
181.10181	14.1
183.08029	4.7
183.11684	18.1
185.09535	4.1
187.07228	4.0
193.10098	4.6
195.11656	8.4
197.09618	7.4
197.13240	4.2
207.11696	5.7
208.91150	3.6
209.09401	4.0
209.13342	7.0
211.11278	4.9
211.14830	6.3
213.12662	3.8
221.13139	5.8
223.14827	3.7
225.12677	4.9
239.14258	5.0
280.23880	3.9
334.90039	4.1
336.12094	3.9
339.23315	5.6
349.21634	19.4
367.22668	29.7
423.24527	4.2
429.26041	6.6
441.26379	88.9
441.31918	7.2
459.27121	100.0
459.32367	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
55.05510	10.3
55.25473	2.1
57.03433	3.4
58.68364	2.5
62.70872	2.5
67.05507	15.3
69.03439	4.3
69.07056	10.5
75.36333	2.4
77.25211	2.3
79.05487	12.8
79.55431	2.1
81.03435	16.4
81.07064	16.0
83.04955	3.4
91.05461	4.0
93.07037	6.6
95.04997	4.7
95.08592	5.3
105.07095	3.7
107.08585	5.8
109.10178	5.5
111.04449	3.2
117.06985	3.2
119.08567	4.8
121.06519	2.9
121.10167	3.4
125.26145	2.6
128.06236	2.7
129.07028	6.1
131.08580	6.5
133.10155	6.5
135.11732	5.0
141.07040	3.0
143.08585	9.8
145.06541	5.0
145.10101	13.5
155.08575	13.4
157.10101	10.3
159.08061	4.1
159.11606	4.3
161.06007	5.0
161.77028	2.7
165.07054	3.6
167.08575	13.5
169.10089	22.7
171.08064	5.5
171.11713	6.2
181.10124	16.8
183.08046	3.9
183.11722	16.2
185.13254	3.8
193.10118	5.0
195.08057	5.0
195.11678	14.7
197.09619	11.9
197.13275	11.1
199.11211	5.8
199.14888	3.4
205.10078	3.0
207.11601	4.2
209.09589	10.1
209.13275	10.2
210.10283	3.9
211.11153	12.1
212.00391	2.7
219.11662	3.4
221.13159	3.4
223.11172	6.0
223.14856	4.1
225.12743	10.2
236.21736	2.5
237.12706	5.6
307.20898	3.4
349.21512	16.2
367.22583	22.6
429.26190	4.0
441.26389	87.4
459.20291	5.7
459.27307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Platanic acid
Peak:m/z	Relative Intensity
50.66438	1.7
55.69942	1.6
60.97700	1.9
64.59630	1.9
69.07059	2.7
78.50290	1.8
81.07071	3.0
83.82233	2.1
91.35849	2.3
93.07037	2.6
95.00435	2.1
95.04973	27.7
95.08609	15.6
107.08613	3.7
109.06532	2.7
121.10127	2.4
123.11686	3.7
126.00105	2.0
137.09621	40.0
140.26553	1.9
143.17055	2.1
151.11195	3.5
160.06119	2.4
161.09564	3.8
169.02788	1.9
177.03357	1.9
179.10670	100.0
179.88017	2.0
199.89345	2.2
294.77142	2.2
335.22345	2.6
370.09995	2.4
377.26907	2.9
459.21637	3.0
459.34393	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.02290	3.4
50.47785	2.3
50.86359	2.1
51.42281	2.7
55.05513	6.2
60.07642	2.7
67.05513	34.5
69.07077	23.5
79.05493	27.8
81.07069	60.7
83.08615	5.7
89.26134	3.3
91.05466	19.6
93.07044	31.7
95.08617	38.2
97.06512	3.4
97.10178	4.0
105.07051	32.0
107.08589	34.7
109.10146	23.5
117.07057	4.2
119.08567	36.1
121.10146	38.0
123.11707	17.0
125.09625	3.4
127.79346	3.1
131.08572	13.6
133.10146	20.0
135.11664	27.3
137.06012	3.4
145.10150	19.2
147.11697	37.0
149.13278	17.9
159.11774	11.3
161.13307	5.1
165.12721	12.4
173.13327	3.8
175.14883	4.8
210.21181	3.2
275.19980	10.8
277.21597	44.5
423.32162	3.7
441.33374	5.8
459.28796	4.5
459.34692	100.0
472.12350	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.5
56.42263	0.6
57.07084	0.9
65.71214	0.7
66.23193	0.6
67.05511	5.5
69.07059	2.7
73.02901	1.1
79.05505	4.9
81.07061	3.0
82.94698	0.6
83.08613	6.9
84.17827	0.6
86.06048	0.7
88.07659	0.8
93.07052	4.2
94.32822	0.6
95.08612	1.2
95.94978	0.6
97.10166	10.6
99.04451	6.1
107.08589	15.3
109.10146	5.0
121.10256	0.7
124.11237	6.8
125.09632	14.9
133.10114	1.1
135.08054	10.1
142.12267	9.2
144.41867	0.6
152.10695	4.8
153.09105	8.3
170.11752	26.9
170.13141	1.2
171.10159	1.6
196.13324	1.0
197.11751	15.8
214.14371	100.0
242.24863	2.4
287.23505	0.8
361.27451	0.7
400.81897	0.8
459.24295	2.8
459.37961	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
55.64793	0.5
57.02398	0.4
67.05509	3.9
69.03414	0.7
79.05495	3.7
81.07070	0.9
83.08611	4.9
85.91138	0.7
86.06065	1.0
88.86572	0.6
92.21505	0.9
93.07056	2.4
95.76308	0.6
97.10165	11.1
99.04436	5.5
107.08605	11.7
109.10152	3.5
118.25877	0.7
124.11244	7.2
125.09612	15.5
135.08057	10.6
142.12270	9.8
152.10674	7.6
153.09123	6.8
170.11757	26.6
171.10210	1.2
196.13315	1.1
197.11725	15.4
199.72861	0.9
214.14366	100.0
226.04697	0.7
230.59486	0.7
242.24750	1.5
290.27005	1.2
411.35556	0.9
459.37921	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
64.85681	0.6
67.05503	4.1
67.37840	0.6
72.53445	0.6
73.02920	0.6
77.01718	0.7
79.05504	3.2
83.08611	6.6
83.99047	0.7
88.07647	1.8
93.07048	3.2
97.10166	11.3
99.04473	6.2
104.07085	0.9
107.08601	11.1
109.10170	1.8
118.14914	0.7
124.11226	7.8
125.09643	14.0
135.08057	11.1
136.51898	0.8
142.12274	11.4
152.10689	7.9
153.09085	8.9
170.11760	24.0
171.10110	0.8
183.35666	0.8
196.13336	1.5
197.11711	14.7
214.14374	100.0
236.59048	0.9
242.24840	2.9
250.73634	0.8
270.80145	0.9
333.81729	0.9
369.97879	0.8
459.37918	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45428	0.5
54.72036	0.5
55.05517	2.8
57.07087	0.8
67.05507	3.3
69.03439	0.9
72.87097	0.6
74.06099	0.8
75.07158	0.5
79.05492	3.3
81.07076	2.1
83.08652	4.9
83.09248	0.5
88.07623	1.3
93.07066	1.1
97.10165	10.4
99.04445	5.1
104.07114	1.1
107.08604	15.9
109.10149	3.6
111.08087	0.9
124.11230	6.4
125.09622	18.2
126.05471	0.6
135.08051	9.2
142.12280	9.7
147.36465	0.7
152.10718	6.6
153.09148	7.1
170.11760	24.0
171.10124	1.2
196.13377	1.5
197.11754	14.8
214.14380	100.0
214.43042	0.6
242.24832	2.6
411.35803	1.0
447.99567	0.8
459.37924	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
60.02421	0.7
62.28057	0.7
67.05503	4.7
69.03439	1.1
73.02927	0.8
79.05501	3.1
81.07058	0.8
83.08630	5.7
85.88925	0.7
86.06081	1.3
88.07615	1.4
93.07036	1.0
97.10162	10.6
99.04465	4.6
99.17455	0.6
107.08604	13.4
109.10151	3.1
113.63916	0.7
115.02373	0.7
123.33395	0.7
124.11238	6.8
125.09630	15.5
135.08058	11.3
140.71707	0.6
142.12279	9.2
148.88652	0.7
149.78828	0.7
152.10710	8.1
153.09082	7.8
170.11772	24.5
171.10199	0.9
196.13390	0.9
197.11740	16.5
211.15128	0.8
214.14378	100.0
224.23607	0.7
242.24841	0.9
357.54672	0.8
447.58713	0.8
459.37936	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02021	0.4
55.05513	3.4
57.07079	1.0
58.06585	0.6
67.05515	5.4
69.03394	0.6
69.07064	0.7
71.08618	0.4
73.02920	0.5
79.05485	3.4
81.07059	3.1
83.08630	5.7
86.06054	0.6
88.07607	2.1
93.07027	2.9
95.08595	1.7
97.10171	11.3
99.04464	5.3
100.11221	0.9
100.60252	0.5
104.07104	1.0
107.08596	14.5
109.10141	4.0
110.86803	0.5
111.08066	0.6
121.87478	0.4
124.11223	7.8
125.09629	17.0
135.08052	9.9
140.99448	2.7
142.12280	9.3
150.06186	0.4
152.10683	5.1
153.09100	6.6
167.50438	0.4
170.11749	23.9
171.10167	0.8
196.13306	1.7
197.02008	3.2
197.11737	14.0
214.14377	100.0
223.84566	0.4
228.23164	0.6
242.24799	2.2
290.27045	0.8
301.66302	0.5
366.24384	0.5
380.88733	0.5
411.35831	1.1
428.34631	0.5
459.37921	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23920	1.3
59.79504	1.1
65.82024	1.2
70.60027	1.3
80.01350	1.4
86.09677	1.4
104.07348	1.3
119.76292	1.3
186.92178	1.2
192.87634	1.3
218.22969	1.4
238.98985	1.4
290.07932	1.9
307.08551	1.3
311.27591	1.4
318.07217	1.9
319.08191	8.9
320.09103	17.5
327.08847	2.7
334.10614	14.6
336.12210	9.6
345.05948	1.9
355.08142	1.9
358.06979	10.0
372.04562	1.8
382.06940	5.3
383.07837	29.4
384.08484	8.8
386.06570	100.0
388.07813	1.6
398.10046	1.5
400.08167	2.8
401.08893	14.4
410.38690	1.7
414.13104	1.5
416.11279	25.4
460.09943	88.2
460.15439	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06449	0.5
65.89940	0.5
73.97248	0.7
75.64270	0.6
84.26573	0.6
92.21563	0.8
92.96019	0.6
96.03852	0.6
98.38519	0.6
137.02370	5.5
193.61227	0.6
217.60155	0.6
227.92719	0.7
280.09680	15.6
290.08133	0.7
292.09683	3.1
294.07669	9.3
294.11005	1.0
307.08197	0.7
308.09128	25.4
309.09930	43.2
318.07806	1.0
319.08560	1.4
320.09103	2.6
322.10565	2.4
323.11453	5.8
324.12274	84.1
334.10727	6.4
336.12338	1.0
362.55557	0.6
399.11359	0.7
416.11191	6.6
430.09177	2.9
444.10556	6.8
445.11258	6.4
460.13794	100.0
471.87097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81535	0.8
54.38078	0.8
54.98164	1.0
72.94995	0.8
89.70661	0.9
102.53389	1.0
165.25415	1.0
169.27774	1.1
192.09337	0.9
236.80807	1.1
307.19879	1.0
318.07761	1.8
319.08304	12.3
320.09171	35.7
321.09708	2.0
322.10580	4.7
334.10730	24.3
336.12277	7.1
337.12622	1.4
344.13849	1.0
346.10565	1.8
372.08658	11.1
374.10178	58.8
386.10306	5.6
388.12009	1.9
389.12701	10.0
389.90482	1.0
398.10077	4.1
399.10999	7.1
402.04730	1.9
402.09692	31.5
403.10754	1.8
416.11221	5.9
418.12814	8.4
432.14374	2.0
460.13788	100.0
460.20993	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33546	0.5
79.77068	0.7
87.64619	0.6
96.88670	0.6
104.40639	0.6
167.41833	0.6
203.48682	0.8
224.97058	0.7
307.08365	0.8
320.09131	12.1
321.10074	1.2
322.10733	6.6
323.11639	1.0
334.10760	0.8
336.12308	3.8
338.13770	5.3
344.09030	0.8
356.09329	1.1
360.12387	4.0
361.13351	2.7
374.10239	4.0
384.08884	1.6
386.10153	1.2
388.11966	1.3
389.12582	50.0
390.13596	0.9
398.10339	1.3
402.09735	11.7
416.11163	7.6
417.12091	5.0
418.12808	19.9
432.14236	8.4
444.10870	2.0
460.13940	100.0
460.20908	9.1
460.32104	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59974	0.2
63.55650	0.2
69.36780	0.2
74.73325	0.2
75.92408	0.2
77.95709	0.2
84.56331	0.2
152.81625	0.3
163.03651	0.3
248.06256	0.3
276.06473	1.0
290.08096	11.2
302.08099	2.9
304.06058	11.9
318.03830	0.5
318.07584	14.4
319.08380	50.0
334.10718	100.0
362.35474	0.3
460.08453	0.2
460.14990	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
72.73648	0.3
95.70220	0.4
107.04978	0.6
108.17842	0.3
108.35799	0.3
121.86037	0.4
128.18764	0.3
138.21973	0.3
176.06969	0.5
191.09415	5.0
231.94806	0.3
271.34912	0.4
283.11969	2.1
296.12784	0.6
297.13144	0.8
298.10736	100.0
298.14346	38.4
460.15042	4.1
460.19485	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76994	0.2
111.70535	0.2
120.36801	0.2
160.64383	0.3
219.84918	0.3
242.17810	0.2
257.61948	0.2
270.19965	0.3
292.09589	3.5
302.38321	0.3
305.68872	0.3
318.07959	0.3
319.08295	0.4
320.09161	100.0
334.10699	0.9
336.12088	0.5
339.13968	0.4
340.14581	0.6
390.39517	0.3
459.47119	0.3
460.17685	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57262	0.8
63.94897	0.8
70.26575	0.9
138.27193	0.8
192.24010	0.8
265.08618	0.8
291.12460	1.5
292.13412	5.5
294.11444	0.8
305.10913	0.9
319.08389	1.4
320.09195	4.1
320.12891	14.7
334.10800	4.3
336.12387	1.7
338.13583	2.0
343.15225	0.9
401.12582	1.9
402.13477	3.5
416.14917	25.5
428.15167	6.8
429.12222	3.4
430.12878	21.4
444.14462	36.9
445.15244	25.2
460.17612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17864	0.6
60.73266	0.6
65.09162	0.6
70.11368	0.7
79.08222	0.7
87.65179	0.6
89.93336	0.7
153.16963	0.8
163.66302	0.7
276.10156	1.1
291.12805	0.9
292.13364	1.0
305.10675	1.3
318.07635	10.2
320.09244	2.8
320.12756	17.3
334.10855	1.5
352.87234	0.8
399.15131	1.1
401.12451	2.6
402.13214	3.9
415.14331	1.0
416.14923	24.3
428.15051	5.3
429.12131	1.8
430.12814	18.5
444.14380	34.1
445.15173	27.8
460.17520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1754
Annotation	Doronine
Peak:m/z	Relative Intensity
50.40030	0.4
50.50841	0.4
51.21568	0.4
51.28095	0.4
52.82051	0.4
54.05254	0.4
61.10366	0.4
80.49868	0.5
84.05061	0.5
108.09696	0.5
118.81253	0.5
136.10364	0.5
144.84148	0.6
180.92082	0.5
276.10263	0.6
291.12729	2.2
291.19525	0.5
292.09729	0.7
292.13300	1.1
305.10452	0.6
320.09213	7.4
320.12881	15.4
321.09915	1.1
323.11746	0.8
336.12344	3.4
399.14532	1.1
401.12717	2.3
402.13239	4.2
416.14963	25.9
428.14828	7.4
429.12180	2.2
430.12872	21.1
444.14447	37.1
445.15247	26.7
460.17563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93389	0.1
56.96041	0.2
63.06907	0.2
66.66444	0.2
93.06985	0.2
98.62234	0.2
102.44517	0.2
192.85863	0.2
238.83124	0.2
267.18613	0.2
290.08261	0.3
292.09637	3.4
294.85272	0.2
318.07574	0.4
320.09158	100.0
334.11060	0.3
336.12320	0.8
338.13785	0.2
460.17517	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39616	0.3
56.15888	0.4
59.77679	0.3
81.90369	0.3
81.96275	0.3
94.71878	0.4
198.54956	0.3
211.38495	0.4
238.08809	0.4
247.02179	0.5
276.10294	0.6
276.52875	0.4
291.12662	0.9
292.13126	2.6
305.10367	0.5
311.11060	0.4
320.09146	12.0
320.12866	19.0
323.11423	1.6
334.10748	0.6
336.12320	0.8
399.14511	0.6
400.11685	0.5
401.12567	3.1
402.13342	4.9
415.14294	1.8
416.14911	25.9
428.14969	8.1
429.12125	1.8
430.12823	21.4
431.13864	0.9
444.14407	38.4
445.15182	28.1
460.17529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19719	0.3
67.26530	0.3
81.07080	0.4
82.70705	0.4
92.20915	0.9
99.77960	0.3
110.99698	0.3
123.98075	0.4
184.63802	0.4
276.10062	0.5
291.12561	2.0
292.13364	1.4
304.09500	0.8
305.10394	0.7
319.08435	0.8
320.09198	5.5
320.12839	16.1
323.11536	0.9
334.10785	1.7
336.12344	0.9
340.13669	0.4
399.14648	1.7
401.12411	2.9
402.13303	4.0
415.14319	1.6
416.14908	28.2
428.14917	9.6
429.12131	3.3
430.12863	21.1
431.13501	0.5
444.14426	43.4
445.15237	29.4
445.20197	0.5
460.17535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76994	0.2
111.70535	0.2
120.36801	0.2
160.64383	0.3
219.84918	0.3
242.17810	0.2
257.61948	0.2
270.19965	0.3
292.09589	3.5
302.38321	0.3
305.68872	0.3
318.07959	0.3
319.08295	0.4
320.09161	100.0
334.10699	0.9
336.12088	0.5
339.13968	0.4
340.14581	0.6
390.39517	0.3
459.47119	0.3
460.17685	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57648	1.2
51.04472	1.1
59.97980	1.1
83.46797	1.2
85.02918	7.3
97.02897	6.1
99.04433	1.7
101.06011	20.0
118.46455	1.3
119.07055	6.4
130.95523	1.3
136.06201	2.0
145.32481	1.2
163.07523	1.6
192.10191	8.8
195.08058	14.4
207.08023	2.6
209.09599	4.9
219.08176	1.4
223.07518	53.3
227.07033	1.7
235.07460	11.1
237.09077	13.6
239.10822	2.1
249.08978	1.6
254.09410	2.6
255.07463	2.5
255.10135	63.5
255.12669	2.2
267.10181	2.8
269.11658	11.1
298.14374	100.0
334.96628	1.4
460.19675	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94901	1.1
59.43163	1.2
74.58474	1.3
81.84807	1.3
85.02899	2.8
85.32085	1.2
94.09505	1.3
99.16394	1.4
105.07022	1.9
119.08523	1.9
131.04924	1.3
133.06517	2.4
138.10451	1.4
142.49643	1.5
143.17059	1.4
147.08038	2.4
151.07542	37.9
152.78644	1.3
159.08034	3.2
161.05956	6.6
162.06693	1.4
175.07520	25.4
183.50629	1.5
187.07507	8.1
193.08727	4.9
195.08089	5.6
198.03271	1.4
199.07448	2.5
205.08661	1.7
221.08023	3.0
227.32521	1.7
240.27657	1.5
261.09036	3.1
277.08505	2.8
281.11658	2.8
285.11154	1.8
291.10065	3.4
292.10706	8.1
293.11771	11.2
303.10019	1.9
305.11771	1.9
307.13293	8.2
309.11145	13.2
320.09143	100.0
321.11029	6.1
323.12793	1.7
324.13501	45.3
334.10858	2.1
336.12903	9.0
342.14429	11.6
395.14813	16.3
407.14896	7.7
413.16141	9.9
425.15747	2.6
460.17560	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75810	0.1
53.19940	0.2
58.06601	0.2
86.09707	0.2
107.04939	2.3
109.74138	0.2
126.85997	0.2
129.10217	0.2
137.06056	0.2
150.87207	0.2
177.07855	4.3
188.92676	0.2
235.07307	0.2
268.09692	0.2
282.11179	0.3
283.11960	2.2
291.55292	0.2
298.14368	100.0
370.80588	0.2
460.20038	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1966
Annotation	SCHEMBL12931307
Peak:m/z	Relative Intensity
53.18937	0.3
54.00209	0.4
57.78976	0.4
66.25545	0.3
66.33537	0.4
71.62136	0.3
72.08164	1.1
72.48295	0.4
77.31488	0.4
82.35792	0.4
86.09702	0.9
87.89896	0.5
91.82499	0.5
108.24992	0.4
143.33012	0.5
191.09534	1.0
283.12030	4.1
298.10855	37.8
298.14487	100.0
459.73831	0.7
460.19772	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1965
Annotation	SCHEMBL12931307
Peak:m/z	Relative Intensity
54.55370	0.4
58.06518	0.7
72.08035	4.0
80.82726	0.5
84.08056	0.5
85.02806	1.0
86.09579	0.5
93.56187	0.5
97.02789	2.0
99.04385	0.6
107.04855	0.9
123.04314	0.4
129.10150	1.1
135.63469	0.5
138.64287	0.4
183.06392	1.1
192.10062	2.5
283.12042	5.3
298.10791	14.5
298.14319	100.0
390.49063	0.6
460.19785	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46960	0.3
73.83709	0.3
102.02684	0.3
102.84973	0.2
114.92983	0.3
175.91759	0.3
292.09604	2.4
320.09155	100.0
321.09933	0.5
334.10797	0.4
336.12378	1.3
460.21136	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
55.19592	0.6
56.31877	0.6
67.05518	3.0
79.05495	1.2
81.07081	0.9
83.08605	6.2
88.07613	0.9
93.07020	0.8
95.08610	0.7
95.25871	0.7
97.10172	13.7
105.83935	0.6
107.08611	1.6
125.09623	13.1
171.09987	0.8
189.11272	1.2
197.11856	0.7
213.37970	0.7
215.12787	100.0
242.24887	1.5
320.09268	3.9
334.07214	3.6
349.09634	0.9
460.21417	2.4
460.36377	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73968	0.3
55.05521	3.6
56.51408	0.3
67.05479	2.6
69.03398	0.6
69.07047	0.7
73.02902	0.4
79.05495	0.9
81.07027	0.7
83.08614	3.4
93.07013	0.9
97.09602	0.6
97.10170	13.8
97.59949	0.4
104.07094	0.4
107.08585	3.6
109.10105	0.8
115.52256	0.4
122.08110	0.5
125.09631	11.8
135.08037	0.9
145.41487	0.4
171.10133	0.8
189.11234	2.0
197.11722	0.4
215.12785	100.0
334.07037	1.6
349.09589	0.5
460.36389	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28389	1.1
55.05494	1.2
57.03447	2.0
57.07078	2.6
58.06605	14.6
59.07378	6.0
60.08163	5.5
62.06089	2.7
67.05511	2.2
69.07068	4.8
71.08630	1.1
71.77652	1.2
72.04517	12.3
74.68269	1.1
77.53644	1.0
81.07047	4.9
82.12069	1.1
83.08585	2.0
85.02898	1.4
85.10164	1.6
89.68869	1.5
93.07069	1.7
94.72202	1.1
95.08608	5.5
100.04002	1.2
107.08623	1.2
109.10151	2.0
118.05005	21.4
121.10157	1.4
123.11703	1.3
135.11687	1.5
139.82841	1.1
140.21857	1.1
140.61104	1.1
144.10202	8.1
145.56969	1.1
155.01015	4.8
162.11214	1.3
215.12817	1.7
236.14911	100.0
264.27356	1.3
297.17191	1.1
299.25916	2.4
334.07086	1.9
340.28833	1.6
419.25275	1.8
442.35120	7.1
460.25055	17.8
460.36624	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29221	0.4
55.05512	4.1
57.07063	0.4
58.06568	0.4
62.25679	0.4
64.30878	0.4
67.05484	2.3
69.07056	0.8
71.48225	0.4
73.40836	0.4
75.61426	0.4
79.05465	0.8
81.07049	1.0
83.04967	0.4
83.08627	3.9
93.07056	0.8
95.08582	0.5
97.09592	0.6
97.10176	12.5
107.08598	3.9
111.08076	0.5
122.08128	0.7
125.09634	10.7
135.08038	0.9
137.21532	0.4
142.22075	0.4
153.09122	0.6
189.11180	2.2
197.11737	0.7
210.96230	0.4
215.12793	100.0
242.24773	0.7
250.07570	0.4
269.06424	0.5
269.21075	0.4
290.26895	0.4
307.93008	0.4
334.07120	1.7
349.09573	0.6
412.34329	0.6
460.36395	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66637	0.3
55.05516	3.3
65.11649	0.3
67.05491	2.4
69.03406	0.7
69.07050	0.8
74.06042	0.3
79.05476	1.7
81.07047	0.7
83.04959	0.3
83.08278	0.3
83.08620	4.2
91.67440	0.4
93.07033	0.5
97.10172	12.9
107.08605	3.3
109.10130	0.7
111.08018	0.4
120.29834	0.4
120.96591	0.4
125.08791	0.6
125.09632	13.2
135.08044	1.6
143.10735	0.5
153.09094	0.4
171.10179	0.7
189.11180	1.9
197.11711	0.4
201.13727	0.4
215.12785	100.0
242.24785	1.4
321.53998	0.4
337.21002	0.4
337.93933	0.3
396.93433	0.4
412.33771	0.4
460.25732	1.4
460.36313	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42728	1.0
53.36553	1.0
57.03442	1.5
57.07079	2.7
58.06609	13.4
59.07391	2.7
60.08174	5.7
64.42184	1.1
69.07061	1.7
71.08643	2.8
78.26559	1.1
81.01189	1.2
81.07070	1.5
85.10179	2.0
87.04459	4.6
91.05492	1.5
93.07069	1.4
95.08600	2.4
97.10192	1.2
109.10156	1.3
111.11687	1.0
113.05966	1.9
114.18060	1.2
114.27862	1.1
117.39948	1.2
118.04969	1.7
144.10205	9.0
162.11237	1.2
163.31439	1.1
180.63031	1.1
199.68181	1.1
203.17065	1.2
215.12851	1.8
236.14923	100.0
259.17010	2.4
299.25699	1.2
442.35199	7.8
460.25729	4.0
460.36362	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18535	0.9
57.03437	2.4
57.07079	9.5
58.06607	14.8
59.07389	4.2
60.08164	7.7
69.64539	1.1
71.08630	7.1
73.02915	1.0
73.76578	1.0
75.04472	2.5
85.04488	1.3
85.10194	5.0
87.04469	1.7
121.00799	1.1
144.10176	4.5
163.61441	1.6
165.84163	1.1
177.00423	1.2
185.27722	1.2
208.60805	1.2
242.24980	1.3
316.22534	2.5
370.00540	1.5
385.12698	1.3
385.38293	1.3
460.34094	13.1
460.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1443
Annotation	7-Hydroxy-5,6-dimethoxyflavone 7-glucoside
Peak:m/z	Relative Intensity
51.16901	0.3
52.88463	0.3
57.54620	0.3
60.29731	0.3
90.53242	0.3
96.05337	0.3
102.21180	0.3
105.03389	0.4
157.89742	0.3
231.48392	0.5
232.56619	0.3
256.07370	0.5
283.06006	1.9
284.06784	28.4
299.09140	100.0
319.08319	0.4
320.09320	2.6
321.09457	2.2
334.10736	1.8
336.12149	0.4
445.14667	0.7
446.15280	0.5
461.14337	2.9
461.20099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62440	0.6
77.97278	0.8
81.05631	0.8
94.40630	0.8
115.35513	0.9
136.43262	1.0
143.85562	0.8
146.06027	1.8
226.08667	1.1
239.09422	20.9
240.10172	51.7
253.09744	4.0
254.10545	1.6
255.11269	100.0
267.11209	5.1
297.03546	1.0
297.12170	3.7
299.11093	0.8
327.13339	28.1
357.14435	1.8
417.16522	50.5
461.15500	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	16.8
59.31733	0.8
64.35626	0.9
79.59151	1.0
101.15272	0.9
118.05016	1.3
151.07510	3.7
163.62804	1.0
190.08636	12.7
191.09384	4.7
192.10197	1.6
208.09660	4.3
252.07729	1.4
253.08673	1.2
263.06979	1.9
265.04639	1.1
265.08511	1.6
267.09924	1.0
281.08115	29.6
285.10440	1.0
295.04187	7.0
295.09674	5.2
296.10428	69.5
297.05814	4.2
297.11032	1.1
309.05725	4.2
312.04330	1.1
326.13864	4.0
327.06830	15.5
344.14792	9.5
416.11557	5.0
461.17566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	16.8
59.31733	0.8
64.35626	0.9
79.59151	1.0
101.15272	0.9
118.05016	1.3
151.07510	3.7
163.62804	1.0
190.08636	12.7
191.09384	4.7
192.10197	1.6
208.09660	4.3
252.07729	1.4
253.08673	1.2
263.06979	1.9
265.04639	1.1
265.08511	1.6
267.09924	1.0
281.08115	29.6
285.10440	1.0
295.04187	7.0
295.09674	5.2
296.10428	69.5
297.05814	4.2
297.11032	1.1
309.05725	4.2
312.04330	1.1
326.13864	4.0
327.06830	15.5
344.14792	9.5
416.11557	5.0
461.17566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	16.8
59.31733	0.8
64.35626	0.9
79.59151	1.0
101.15272	0.9
118.05016	1.3
151.07510	3.7
163.62804	1.0
190.08636	12.7
191.09384	4.7
192.10197	1.6
208.09660	4.3
252.07729	1.4
253.08673	1.2
263.06979	1.9
265.04639	1.1
265.08511	1.6
267.09924	1.0
281.08115	29.6
285.10440	1.0
295.04187	7.0
295.09674	5.2
296.10428	69.5
297.05814	4.2
297.11032	1.1
309.05725	4.2
312.04330	1.1
326.13864	4.0
327.06830	15.5
344.14792	9.5
416.11557	5.0
461.17566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07190	0.7
54.97260	0.6
82.56772	0.7
83.94517	0.7
85.31718	0.6
91.43294	0.7
97.02921	1.1
99.04473	3.2
103.69887	0.7
108.38097	0.7
113.43139	0.8
150.06749	0.9
175.06235	1.1
177.07788	3.4
178.08643	2.9
179.09547	0.8
190.08635	34.4
191.09445	5.4
192.10193	67.6
201.08679	3.7
204.10217	32.3
214.26817	0.8
277.08527	1.8
298.11087	1.1
298.14410	1.3
299.10992	4.3
299.14713	9.3
303.74823	0.9
310.11365	1.0
310.14410	4.2
325.13104	4.7
326.13828	14.3
327.04614	0.8
340.15442	45.7
341.16235	8.3
374.14212	7.2
374.18582	0.8
416.15091	2.8
423.63416	0.8
441.00119	0.9
461.17331	100.0
479.34393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.5
54.07280	0.5
61.12586	0.5
69.03434	2.9
71.04992	0.9
73.02927	5.4
79.15625	0.5
81.03415	10.4
83.04963	0.8
85.02907	6.6
85.06520	0.6
97.02895	1.4
99.04456	100.0
109.02881	13.2
113.05973	0.6
117.05449	1.2
117.09728	0.5
127.03913	11.7
138.35083	0.6
141.05452	14.0
202.54408	0.6
207.06583	6.5
210.69067	0.6
225.07588	7.6
239.09186	4.5
243.08609	5.8
261.09708	1.1
265.10898	0.7
289.48672	0.6
323.11200	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
59.40367	0.9
69.03438	1.5
70.03446	0.8
71.08380	0.8
71.62817	0.9
73.02913	5.4
75.12094	1.0
81.03426	14.1
82.53741	0.9
85.02887	5.5
97.02895	1.7
99.04454	100.0
109.02879	14.2
113.05938	1.2
117.05528	1.1
127.03930	8.2
141.05470	15.6
174.73332	0.9
176.73033	1.0
207.06526	6.3
225.07587	2.5
239.09024	2.4
243.08583	6.4
273.93839	1.1
323.11151	13.7
450.11835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31346	0.3
77.97874	0.3
84.68245	0.2
109.89298	0.3
132.67456	0.3
202.46361	0.3
239.50104	0.3
305.10596	0.3
318.07651	6.2
319.08249	0.3
320.09152	2.3
332.09299	2.3
333.09940	7.2
334.10614	1.1
336.12213	0.5
404.18539	0.6
416.18457	0.7
432.18094	1.6
433.21136	1.3
444.18076	0.5
461.20746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31346	0.3
77.97874	0.3
84.68245	0.2
109.89298	0.3
132.67456	0.3
202.46361	0.3
239.50104	0.3
305.10596	0.3
318.07651	6.2
319.08249	0.3
320.09152	2.3
332.09299	2.3
333.09940	7.2
334.10614	1.1
336.12213	0.5
404.18539	0.6
416.18457	0.7
432.18094	1.6
433.21136	1.3
444.18076	0.5
461.20746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
54.81808	0.7
62.04618	0.7
63.63531	0.5
63.74142	0.6
69.07040	0.8
70.70246	0.6
71.05019	0.9
71.14286	0.6
81.03419	7.6
81.07049	1.6
83.64191	0.8
85.02879	5.6
97.02892	2.8
97.21706	0.7
99.04456	100.0
102.00456	0.7
104.98682	0.7
105.07030	1.7
107.08591	0.8
109.02897	1.2
117.05476	15.3
121.10087	3.2
123.11705	8.2
127.03905	3.5
127.07575	1.2
145.04964	0.8
147.11687	12.0
151.07542	0.7
165.12709	12.2
166.06227	0.7
172.30742	0.6
181.08565	9.2
182.03963	2.9
183.13832	6.3
201.14867	8.1
243.08533	0.8
261.09634	6.8
281.09872	0.7
295.08029	0.8
309.09586	1.1
310.10236	2.9
324.12192	1.1
325.12561	5.5
335.11206	0.9
461.13211	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35284	2.6
55.05521	3.6
58.06615	2.9
67.05516	6.4
67.91325	2.8
69.07066	17.2
70.47024	3.3
71.17153	2.4
79.05483	14.7
81.07059	49.0
83.08624	14.0
84.18887	2.6
87.04482	3.1
91.05491	5.7
93.07034	24.5
95.08608	68.0
97.06530	6.7
97.10175	4.6
99.04457	21.6
105.07037	25.7
106.86712	2.8
107.08592	43.3
109.06525	5.0
109.10160	41.5
111.08064	5.3
111.96461	2.8
119.08583	32.3
121.10148	33.1
123.08040	4.0
123.11701	42.3
125.09647	5.7
131.08553	4.2
133.10135	40.0
135.11681	31.8
137.13269	4.8
139.11217	3.5
145.10107	15.0
147.11676	40.0
149.13274	29.5
151.11156	4.1
159.11696	19.1
161.13223	25.8
163.14870	12.4
165.12790	5.5
167.07104	4.1
173.13231	22.1
175.14827	14.8
177.16367	14.7
181.08553	6.3
187.14812	14.0
189.16321	33.3
191.07024	5.7
196.15219	2.9
199.14795	5.3
201.16443	6.7
203.17987	15.2
207.12952	3.6
207.17450	45.8
207.91348	3.2
213.16364	13.3
215.17984	18.6
227.17856	4.3
231.17625	4.1
233.19089	6.7
245.63110	3.0
257.22604	13.9
269.22739	26.4
270.23465	4.1
275.23730	5.9
280.09531	3.1
281.10001	13.2
287.23706	19.1
295.07889	3.5
308.09091	7.4
309.09738	28.7
310.10196	27.7
319.08395	6.4
324.12369	21.5
325.12650	69.3
334.10797	4.2
359.76450	3.5
385.08850	13.2
413.23355	6.3
425.23395	16.0
443.24673	42.8
445.10983	5.2
461.14249	100.0
461.25644	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2665
Annotation	Vielanin B
Peak:m/z	Relative Intensity
55.05518	12.6
55.69327	1.7
57.03446	9.8
61.61412	2.2
65.20912	2.1
67.05518	38.9
69.07073	19.0
76.84935	2.3
79.05491	22.0
81.07066	52.9
83.05036	2.2
83.08622	8.5
88.54705	2.3
90.18626	2.0
91.05467	14.2
93.07051	36.1
95.04919	7.7
95.08607	53.7
97.06536	3.6
97.10210	2.9
98.98470	100.0
105.07034	15.2
107.08607	19.9
109.10159	22.0
117.07045	5.2
119.08603	16.1
121.10165	16.9
121.63828	2.4
123.11704	10.5
127.01552	39.3
131.08577	14.3
133.10139	11.8
135.11697	13.4
136.47548	2.5
139.09312	2.1
145.10168	11.7
147.11694	12.9
149.13329	5.5
154.99881	4.6
155.01050	77.7
155.02225	4.5
157.10217	3.1
159.11676	10.1
161.13290	4.0
173.13248	2.8
183.04192	85.5
201.05251	9.4
243.21078	10.7
252.06438	2.2
261.22134	30.0
279.15027	2.3
317.24777	9.3
335.25787	76.1
443.25504	15.5
443.31836	13.2
461.32663	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
57.07071	24.9
67.05470	3.9
69.07067	30.6
71.08622	19.4
72.52455	3.9
75.35537	4.1
79.05489	5.9
81.07053	26.0
83.08619	10.8
85.10181	21.9
88.68642	4.0
93.07030	6.4
95.08588	17.1
97.10162	10.9
105.07037	6.8
107.04965	23.6
107.08608	19.4
109.10142	19.2
113.20628	4.8
117.77763	5.2
119.08599	6.0
121.10122	11.1
123.11725	6.3
131.08542	5.9
133.10114	29.3
135.11655	8.6
137.13289	5.5
143.08553	5.6
145.10114	6.7
147.08067	7.9
147.11726	6.0
157.10023	5.1
159.11673	8.1
161.09543	8.9
161.13214	7.7
166.73822	4.4
171.11673	4.9
173.13225	8.5
182.15382	10.4
185.13287	6.1
189.09137	11.1
197.13284	7.1
243.13686	6.3
256.11703	5.8
401.34134	17.8
425.34152	42.9
443.35172	100.0
461.35754	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
50.71495	3.5
54.70349	4.5
55.05515	9.8
57.07080	30.6
57.75961	4.0
67.05511	6.6
69.07072	36.8
71.08631	23.8
79.05491	5.1
80.19934	4.0
81.03416	4.3
81.07064	25.1
83.08624	30.0
85.10175	17.1
92.20861	7.9
93.07062	17.3
95.08619	25.6
97.10187	7.2
105.07038	11.0
107.04961	30.4
107.08589	24.3
108.04478	8.6
109.06520	6.8
109.10163	9.0
111.11671	5.3
119.08554	10.0
121.10133	9.1
123.11713	6.7
130.39029	4.2
131.08569	10.1
132.10193	10.3
133.10133	8.0
137.17773	5.0
143.08485	5.0
145.10136	7.3
147.08051	7.5
147.11690	5.6
149.13263	5.4
157.10049	5.8
159.11620	4.8
161.09663	16.4
161.13289	8.8
171.08017	8.4
173.09688	4.5
173.13286	10.1
182.15424	30.0
183.05228	4.9
189.09132	17.5
193.12343	4.9
294.82446	4.9
305.37958	5.0
369.35526	25.8
399.43402	5.1
401.34277	8.7
403.32312	6.7
425.34171	62.9
443.35178	100.0
461.35461	27.0
461.40356	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.4
57.07082	5.8
59.66071	4.3
60.83232	4.0
64.75784	4.4
65.66833	4.9
67.05518	44.6
69.07084	60.6
71.04994	5.5
78.02171	4.4
79.05512	12.4
81.07061	100.0
81.83446	5.2
83.08640	21.3
91.05482	7.4
92.20945	10.5
93.07040	52.5
95.08610	97.7
97.10126	4.8
105.07020	8.6
105.28497	4.9
107.08614	44.1
109.06602	5.4
109.10171	60.4
111.04501	9.1
111.11722	21.0
119.08588	9.5
121.10133	37.7
123.11714	19.7
127.11196	7.1
131.08569	7.0
133.10138	21.2
135.11716	37.3
137.13232	11.8
139.72043	5.0
145.10129	7.7
147.11674	10.3
149.13257	27.9
153.12752	7.0
159.11757	6.4
161.13242	12.3
163.14749	6.8
171.11629	5.6
173.13274	7.2
175.14771	5.8
181.12218	20.0
183.13857	10.5
189.16418	6.0
201.16257	6.4
261.22046	12.5
373.03635	4.9
374.06296	5.3
443.34174	41.4
443.40082	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3987
Annotation	Myrrhanol A
Peak:m/z	Relative Intensity
55.05521	7.3
57.03672	2.5
60.51736	2.7
61.86053	3.1
65.15238	2.8
67.05509	17.0
68.49886	3.0
69.07090	23.5
71.04989	23.9
79.05498	12.5
81.07062	60.6
83.08621	11.6
91.05470	13.3
93.07042	36.4
95.08606	59.1
96.56620	2.7
98.48663	3.5
99.08080	5.5
105.07046	12.8
107.08604	65.5
109.10163	100.0
119.08604	24.5
121.10125	45.1
123.11666	38.8
127.11205	38.9
133.10136	19.3
135.11674	54.3
137.13242	7.0
144.41869	3.2
145.10135	6.0
146.59720	3.3
147.11656	23.1
149.13261	36.9
153.12698	29.2
159.11678	14.3
161.13240	19.2
163.14818	16.8
173.13150	4.5
175.14821	13.4
177.16420	13.0
187.14828	5.2
188.65215	3.9
189.16406	7.8
191.18086	4.4
193.15840	3.5
195.17458	5.4
201.16591	4.6
203.18053	11.9
217.19498	6.9
259.24265	3.3
303.26764	3.9
357.31393	6.0
369.31512	4.2
425.37848	38.4
443.38840	56.5
461.32687	4.1
461.38373	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80986	0.7
74.15463	0.9
86.02112	0.8
86.15447	0.9
95.55709	0.8
99.04437	4.5
109.05203	0.8
147.05981	0.8
165.82648	0.8
290.08118	12.9
302.08020	4.2
304.06061	8.6
318.07617	13.4
319.08408	55.0
320.09241	1.0
334.10715	100.0
412.23682	1.0
462.11719	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38608	0.2
58.06591	0.3
71.85065	0.2
75.50996	0.2
76.16716	0.2
91.25813	0.2
99.04465	0.4
214.98273	0.2
233.45930	0.2
278.08087	0.3
291.08716	0.3
292.09662	13.1
304.09760	2.3
306.07599	4.8
306.10797	0.3
318.07767	0.3
319.08405	0.3
320.05984	0.3
320.09146	15.7
321.09949	35.3
333.17252	0.3
334.10843	0.5
336.12280	100.0
358.10623	1.8
364.08051	0.5
369.07742	0.2
418.12955	0.4
419.31180	0.2
432.11023	0.3
447.13019	0.3
462.11505	5.1
462.17142	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17712	0.3
55.39141	0.3
58.06606	0.7
62.21638	0.3
68.49602	0.3
78.87698	0.3
83.82655	0.3
84.72765	0.3
97.38759	0.3
106.86388	0.3
107.39845	0.3
112.09236	0.4
251.10603	0.4
279.10175	0.7
292.06592	0.5
292.09708	13.6
295.94098	0.3
304.09714	1.8
306.07663	3.9
318.07376	0.4
320.09180	14.7
321.09961	32.0
328.09042	0.4
334.10791	0.6
336.12289	100.0
358.10696	4.5
364.08133	1.6
446.08548	1.4
462.11151	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19305	0.9
58.01496	1.0
58.17912	0.9
87.03793	1.0
102.52393	1.0
121.06525	1.3
127.52621	1.1
157.57967	0.9
164.22122	1.0
165.09123	5.3
166.09442	2.4
292.09378	1.1
320.09088	11.3
322.10623	2.1
334.10620	5.5
336.12247	10.1
346.10840	1.4
349.09561	1.6
358.10452	2.0
362.10004	9.9
374.10190	10.3
375.11185	1.7
376.11731	4.1
386.10205	4.5
388.11624	7.2
402.13528	2.3
403.14456	1.5
404.11172	8.8
418.12698	4.5
430.12433	1.7
432.10782	59.0
446.12341	2.1
447.12967	13.4
462.15326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19305	0.9
58.01496	1.0
58.17912	0.9
87.03793	1.0
102.52393	1.0
121.06525	1.3
127.52621	1.1
157.57967	0.9
164.22122	1.0
165.09123	5.3
166.09442	2.4
292.09378	1.1
320.09088	11.3
322.10623	2.1
334.10620	5.5
336.12247	10.1
346.10840	1.4
349.09561	1.6
358.10452	2.0
362.10004	9.9
374.10190	10.3
375.11185	1.7
376.11731	4.1
386.10205	4.5
388.11624	7.2
402.13528	2.3
403.14456	1.5
404.11172	8.8
418.12698	4.5
430.12433	1.7
432.10782	59.0
446.12341	2.1
447.12967	13.4
462.15326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01378	1.0
58.06601	1.0
62.51991	0.7
69.03410	0.8
70.06595	1.2
71.27297	0.7
76.68253	0.8
81.03419	3.2
83.05000	0.8
83.39018	0.7
85.02913	5.3
91.05490	3.6
93.07043	3.4
95.04943	1.0
97.02891	1.2
99.04457	11.1
103.05464	1.6
107.04944	6.3
108.04384	0.8
119.04955	5.8
121.06505	100.0
122.06033	13.0
125.04755	1.7
126.05513	4.2
127.03905	1.7
131.52126	0.8
135.04378	3.8
138.09038	0.8
145.02852	6.1
147.04414	83.8
148.07578	1.9
150.09158	1.1
154.04950	1.4
162.07620	1.7
163.03897	75.8
165.05499	4.4
167.07050	1.5
177.05493	1.3
185.08171	1.1
246.11302	8.1
264.12347	4.3
282.13394	13.9
283.12021	1.4
309.09723	5.3
407.18051	1.0
426.15552	22.5
444.16473	24.6
457.47855	0.9
462.11823	2.0
462.17349	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01378	1.0
58.06601	1.0
62.51991	0.7
69.03410	0.8
70.06595	1.2
71.27297	0.7
76.68253	0.8
81.03419	3.2
83.05000	0.8
83.39018	0.7
85.02913	5.3
91.05490	3.6
93.07043	3.4
95.04943	1.0
97.02891	1.2
99.04457	11.1
103.05464	1.6
107.04944	6.3
108.04384	0.8
119.04955	5.8
121.06505	100.0
122.06033	13.0
125.04755	1.7
126.05513	4.2
127.03905	1.7
131.52126	0.8
135.04378	3.8
138.09038	0.8
145.02852	6.1
147.04414	83.8
148.07578	1.9
150.09158	1.1
154.04950	1.4
162.07620	1.7
163.03897	75.8
165.05499	4.4
167.07050	1.5
177.05493	1.3
185.08171	1.1
246.11302	8.1
264.12347	4.3
282.13394	13.9
283.12021	1.4
309.09723	5.3
407.18051	1.0
426.15552	22.5
444.16473	24.6
457.47855	0.9
462.11823	2.0
462.17349	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86514	0.3
58.06605	0.6
62.28962	0.3
63.23716	0.3
66.08564	0.3
68.54553	0.3
70.06603	0.6
77.90735	0.4
81.03402	0.4
85.02912	0.6
97.02934	0.4
99.04478	0.4
121.06483	1.6
152.07100	0.4
154.50677	0.4
162.05513	0.4
164.07062	6.7
176.35344	0.4
192.88373	0.4
203.23131	0.4
212.09180	0.4
284.09207	2.7
285.09909	17.3
299.11310	0.5
300.12292	100.0
406.98514	0.4
447.15616	0.5
462.17532	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03478	0.4
56.76332	0.5
58.06666	3.7
69.03499	0.6
70.06628	1.5
83.15943	0.5
85.02959	0.9
97.02968	0.5
98.06107	0.7
99.04510	1.0
100.48905	0.5
103.26363	0.5
107.05046	2.6
107.51148	0.6
116.07144	0.8
120.04559	0.8
121.06578	2.4
147.04526	0.9
152.07100	0.8
161.06076	1.1
173.10803	0.5
177.05566	0.9
182.10196	0.5
188.09261	2.2
196.74113	0.5
209.09763	0.5
212.12779	0.7
230.05371	0.5
235.14503	0.8
263.13898	0.6
269.11731	1.2
270.07404	0.5
283.16333	0.7
284.09290	3.4
285.09949	18.0
285.13071	0.7
299.11560	0.5
300.12289	100.0
300.15451	3.3
305.98883	0.6
378.20245	2.5
462.17310	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1757
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
63.66385	0.2
69.03501	0.3
79.77955	0.2
84.69498	0.2
85.02989	0.4
87.04540	0.2
121.06506	4.2
123.04520	0.9
135.08151	0.4
143.04996	0.3
152.07227	0.2
159.08105	0.8
161.05980	1.9
164.07164	0.2
168.62387	0.2
235.14635	0.3
269.11673	2.7
282.11285	0.9
284.09079	2.8
285.09937	19.9
299.11566	1.0
300.12299	100.0
311.52652	0.2
328.68457	0.2
378.19781	0.2
462.17279	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1757
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
54.03478	0.4
56.76332	0.5
58.06666	3.7
69.03499	0.6
70.06628	1.5
83.15943	0.5
85.02959	0.9
97.02968	0.5
98.06107	0.7
99.04510	1.0
100.48905	0.5
103.26363	0.5
107.05046	2.6
107.51148	0.6
116.07144	0.8
120.04559	0.8
121.06578	2.4
147.04526	0.9
152.07100	0.8
161.06076	1.1
173.10803	0.5
177.05566	0.9
182.10196	0.5
188.09261	2.2
196.74113	0.5
209.09763	0.5
212.12779	0.7
230.05371	0.5
235.14503	0.8
263.13898	0.6
269.11731	1.2
270.07404	0.5
283.16333	0.7
284.09290	3.4
285.09949	18.0
285.13071	0.7
299.11560	0.5
300.12289	100.0
300.15451	3.3
305.98883	0.6
378.20245	2.5
462.17310	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
92.49294	0.2
100.37749	0.3
121.46036	0.2
123.60638	0.2
128.59267	0.2
171.04285	0.3
178.19902	0.2
199.03871	0.6
228.06528	1.5
229.04970	2.0
230.08136	1.7
304.09830	0.3
305.10483	0.4
308.09189	1.1
318.07581	9.0
319.08435	0.4
320.09125	2.7
321.10013	0.5
322.10767	1.0
332.09192	4.0
333.09937	8.2
333.32104	0.3
334.10544	0.3
336.12299	3.2
364.08017	0.3
404.18533	1.0
416.18430	0.5
432.17993	1.0
434.19855	1.0
444.17859	0.5
462.19034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72620	0.1
67.46178	0.1
90.52854	0.1
105.06985	0.2
126.24041	0.2
149.27867	0.2
160.66309	0.2
239.18097	0.2
242.62553	0.2
258.36655	0.2
275.19980	0.5
278.08173	0.2
285.07126	0.3
290.04651	0.2
290.07953	0.3
292.09668	2.8
299.09186	0.2
300.09418	1.2
304.09506	0.2
305.06906	0.2
306.07666	0.6
308.09100	0.6
318.07657	0.8
319.08313	1.5
320.09146	100.0
321.09552	0.6
322.10638	1.1
323.11157	0.3
333.06003	0.2
334.07266	0.2
334.10666	1.5
335.11182	0.2
336.08701	0.3
336.12198	2.0
348.08676	0.2
364.07971	0.2
366.09750	0.4
367.10455	0.6
462.19080	37.0
471.67905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.191
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69193	0.3
64.33202	0.3
72.29728	0.2
82.53857	0.2
111.21230	0.2
176.06985	0.4
202.81354	0.3
250.88358	0.3
253.19458	0.3
292.09552	3.2
293.21069	0.5
318.07611	0.4
320.09161	100.0
321.09622	0.4
336.12274	1.0
369.99451	0.3
462.19073	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.3
71.24675	0.2
78.46080	0.2
109.10109	0.3
151.07378	0.3
168.01527	0.2
192.10083	0.3
206.08118	1.3
208.09625	1.7
255.02876	3.6
275.20056	0.4
292.09653	3.0
307.08218	0.4
318.07516	0.3
319.08231	0.3
320.09152	100.0
322.10693	2.4
334.10660	1.4
336.12271	1.8
363.12677	0.3
408.37283	0.3
462.12823	1.6
462.19061	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80214	0.7
60.42581	0.7
61.33734	0.7
64.66329	0.8
66.27087	0.8
71.08611	0.7
74.71923	0.7
84.45007	0.8
105.24514	0.8
201.28384	1.0
226.98135	0.9
292.09555	6.3
293.69009	0.9
306.07718	1.0
307.08368	1.5
317.09253	1.0
318.07684	1.2
320.09143	100.0
321.09836	9.1
322.10611	7.5
334.10556	3.2
336.12274	61.9
388.29321	1.0
444.17795	1.3
462.17609	30.2
462.23239	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.191
Annotation	Unknow
Peak:m/z	Relative Intensity
84.95356	0.3
92.21592	0.4
150.47560	0.3
161.06161	0.3
168.49391	0.3
226.66977	0.3
318.04187	0.3
318.07617	7.5
320.09283	1.2
321.09906	0.5
332.09189	3.5
333.09995	7.4
334.10873	0.4
336.12363	2.2
375.30112	0.3
404.18472	0.6
416.18619	0.4
432.18280	0.6
434.19720	0.6
444.17950	0.6
462.19086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98839	0.9
51.31706	1.0
53.03954	2.2
54.60524	1.1
54.91164	0.9
63.23120	1.2
69.03436	5.4
69.62038	0.9
70.06582	5.1
71.04993	1.7
74.27515	1.0
79.05491	1.2
81.03432	11.3
84.04509	9.7
84.34270	0.9
85.02898	10.4
86.06066	13.4
87.04473	21.8
91.05460	1.2
96.04485	1.9
97.02904	10.2
98.06059	22.1
99.04454	38.0
99.05084	1.8
104.07150	4.0
106.06554	4.3
107.04937	2.1
108.04479	2.4
109.02894	5.4
110.06004	4.0
112.04155	1.2
112.88282	1.2
113.41588	1.5
116.07100	6.0
121.06506	33.1
121.55051	1.2
123.04424	2.3
124.07565	2.0
125.04737	2.1
126.05504	6.7
127.03942	4.4
128.07086	10.1
134.06023	16.0
135.08063	4.3
138.09123	2.5
138.52718	0.9
140.07063	2.2
142.08673	1.2
142.19656	1.0
143.04874	1.3
144.06560	2.4
146.08096	2.3
148.07585	13.6
152.07085	1.1
159.08099	4.0
161.05992	13.8
163.76816	1.2
164.07083	1.5
166.08710	4.9
170.08105	4.9
176.07066	72.8
178.08698	2.2
182.08173	1.5
194.08122	63.2
202.28365	1.1
211.11079	1.0
212.09172	9.7
230.10237	9.1
251.10588	1.3
257.11655	4.2
269.11737	12.9
300.15958	24.0
390.15231	1.5
408.16647	12.5
426.17584	23.5
432.98013	1.3
444.18594	28.7
462.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03988	1.1
58.21321	1.2
61.02924	1.8
69.03438	1.4
69.52196	1.3
70.50518	1.3
72.72756	1.4
85.02895	5.9
91.05511	2.4
93.07065	1.8
93.64493	1.5
95.51565	1.3
97.02890	6.5
105.55798	1.3
117.07027	2.4
119.04946	8.2
121.05630	3.0
121.06503	83.7
121.85679	1.4
123.04418	20.6
127.03870	1.7
136.07574	81.6
137.05991	2.0
144.06615	2.2
145.06528	11.6
147.04419	15.2
150.09140	2.4
162.07629	5.1
163.07544	30.3
165.05467	65.2
166.08675	6.9
167.91866	1.3
180.10191	100.0
182.08136	76.1
192.86652	1.6
240.08522	1.8
264.12213	9.8
264.91559	1.4
282.13382	32.7
288.10416	1.5
300.14398	2.2
306.11765	2.0
426.17322	7.5
444.18546	35.9
462.19681	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98839	0.9
51.31706	1.0
53.03954	2.2
54.60524	1.1
54.91164	0.9
63.23120	1.2
69.03436	5.4
69.62038	0.9
70.06582	5.1
71.04993	1.7
74.27515	1.0
79.05491	1.2
81.03432	11.3
84.04509	9.7
84.34270	0.9
85.02898	10.4
86.06066	13.4
87.04473	21.8
91.05460	1.2
96.04485	1.9
97.02904	10.2
98.06059	22.1
99.04454	38.0
99.05084	1.8
104.07150	4.0
106.06554	4.3
107.04937	2.1
108.04479	2.4
109.02894	5.4
110.06004	4.0
112.04155	1.2
112.88282	1.2
113.41588	1.5
116.07100	6.0
121.06506	33.1
121.55051	1.2
123.04424	2.3
124.07565	2.0
125.04737	2.1
126.05504	6.7
127.03942	4.4
128.07086	10.1
134.06023	16.0
135.08063	4.3
138.09123	2.5
138.52718	0.9
140.07063	2.2
142.08673	1.2
142.19656	1.0
143.04874	1.3
144.06560	2.4
146.08096	2.3
148.07585	13.6
152.07085	1.1
159.08099	4.0
161.05992	13.8
163.76816	1.2
164.07083	1.5
166.08710	4.9
170.08105	4.9
176.07066	72.8
178.08698	2.2
182.08173	1.5
194.08122	63.2
202.28365	1.1
211.11079	1.0
212.09172	9.7
230.10237	9.1
251.10588	1.3
257.11655	4.2
269.11737	12.9
300.15958	24.0
390.15231	1.5
408.16647	12.5
426.17584	23.5
432.98013	1.3
444.18594	28.7
462.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98839	0.9
51.31706	1.0
53.03954	2.2
54.60524	1.1
54.91164	0.9
63.23120	1.2
69.03436	5.4
69.62038	0.9
70.06582	5.1
71.04993	1.7
74.27515	1.0
79.05491	1.2
81.03432	11.3
84.04509	9.7
84.34270	0.9
85.02898	10.4
86.06066	13.4
87.04473	21.8
91.05460	1.2
96.04485	1.9
97.02904	10.2
98.06059	22.1
99.04454	38.0
99.05084	1.8
104.07150	4.0
106.06554	4.3
107.04937	2.1
108.04479	2.4
109.02894	5.4
110.06004	4.0
112.04155	1.2
112.88282	1.2
113.41588	1.5
116.07100	6.0
121.06506	33.1
121.55051	1.2
123.04424	2.3
124.07565	2.0
125.04737	2.1
126.05504	6.7
127.03942	4.4
128.07086	10.1
134.06023	16.0
135.08063	4.3
138.09123	2.5
138.52718	0.9
140.07063	2.2
142.08673	1.2
142.19656	1.0
143.04874	1.3
144.06560	2.4
146.08096	2.3
148.07585	13.6
152.07085	1.1
159.08099	4.0
161.05992	13.8
163.76816	1.2
164.07083	1.5
166.08710	4.9
170.08105	4.9
176.07066	72.8
178.08698	2.2
182.08173	1.5
194.08122	63.2
202.28365	1.1
211.11079	1.0
212.09172	9.7
230.10237	9.1
251.10588	1.3
257.11655	4.2
269.11737	12.9
300.15958	24.0
390.15231	1.5
408.16647	12.5
426.17584	23.5
432.98013	1.3
444.18594	28.7
462.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	19.1
59.59663	0.9
61.02934	1.2
69.03436	6.6
71.05007	0.9
72.08127	1.1
81.03412	2.1
85.02908	18.4
86.09718	1.2
87.04438	1.1
91.03940	1.3
93.07027	1.3
97.02885	7.1
98.06063	1.1
99.04468	1.5
107.04958	8.7
109.02888	1.3
121.06508	100.0
127.03909	6.7
138.09160	4.9
144.06584	6.3
150.09137	8.6
152.07069	1.5
161.06000	4.2
162.07591	10.1
255.10217	5.5
257.11713	1.6
264.12314	12.6
282.13348	61.3
300.16049	14.5
339.05167	1.2
439.43298	1.1
444.18622	60.3
462.20679	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	21.4
61.02935	2.1
69.03429	7.5
70.75926	1.0
81.03416	1.6
83.62799	1.1
83.69852	1.1
85.02913	22.0
87.04473	4.8
87.45667	1.0
91.05466	1.3
93.07066	2.1
97.02879	9.7
107.04961	8.7
109.02906	1.5
119.04931	1.3
121.06504	100.0
123.04408	1.6
123.08592	1.1
123.50400	1.1
127.03928	7.2
130.36078	1.1
137.05984	5.8
144.06569	2.7
146.58571	1.2
147.04405	4.6
150.09149	22.7
161.06065	1.6
162.07571	8.4
174.47462	1.2
179.06964	1.5
197.07982	1.2
255.10152	6.9
264.12247	10.5
282.13333	57.4
300.15997	14.6
396.63364	1.1
444.18668	58.2
462.20560	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46625	0.5
53.03945	1.2
58.06604	6.2
69.03436	1.1
70.06586	4.7
71.04993	3.0
81.03418	3.4
86.06052	6.3
87.04465	12.9
88.45388	0.6
96.04458	0.6
97.02890	1.6
98.06050	46.1
99.04461	12.5
104.07098	1.0
107.04932	3.0
116.07074	17.7
121.06549	1.0
123.04422	1.2
127.03858	1.1
137.05983	1.1
140.07065	4.7
149.05942	0.8
152.07001	0.8
153.05481	2.7
165.05446	1.3
176.07097	1.1
177.05461	1.0
182.08168	2.7
194.08145	3.9
195.06561	1.2
208.09666	1.6
224.09244	1.2
226.10591	1.6
228.67125	0.8
230.10318	1.5
248.11235	2.8
250.10684	3.1
255.10201	1.3
257.11908	0.9
260.11053	0.9
268.11844	5.5
280.11960	1.2
292.11765	1.1
300.15863	4.4
310.12814	1.5
328.14047	3.6
346.14981	4.7
364.16135	9.6
444.18677	3.2
462.19763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
63.78715	1.0
66.16552	0.8
69.03400	1.1
70.77798	0.9
84.09159	1.0
85.02908	1.5
85.86025	1.0
89.79301	1.1
92.20901	1.4
105.05059	1.0
107.04958	73.2
107.05686	2.4
119.04969	1.4
121.06498	2.5
133.06516	1.3
136.44272	1.2
137.05923	7.3
143.04907	6.4
145.06500	8.4
151.07466	1.3
163.07509	4.5
175.07542	17.3
197.09612	1.7
209.09604	8.9
219.07970	1.3
225.08977	3.5
237.09106	12.2
237.16719	0.9
250.52937	1.1
257.11459	1.3
269.11685	36.4
269.14368	2.0
271.13248	2.2
300.15924	35.7
321.65561	1.1
402.01807	1.3
462.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71354	0.8
58.06317	2.3
58.06608	56.6
61.89910	0.8
69.03414	1.3
72.08168	1.0
74.03001	1.0
85.02905	5.5
85.36494	0.9
97.09200	0.9
98.06071	1.7
107.04958	27.1
119.04954	6.0
121.06503	5.5
123.04425	2.2
137.05972	1.3
145.06499	2.1
147.04405	10.5
161.05937	8.7
163.07495	1.2
179.07036	9.2
213.21347	1.0
237.09027	1.0
240.62442	1.1
255.10152	14.9
257.11850	4.9
300.12442	2.5
300.15912	45.0
311.18228	1.1
462.21164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2121
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
54.24886	0.3
56.25719	0.2
64.99765	0.3
69.02706	0.2
69.03403	0.4
70.06586	4.2
71.53551	0.2
81.03370	0.6
81.07031	0.5
85.02873	1.7
87.04449	0.4
87.39928	0.3
90.48679	0.3
93.07031	0.7
97.02875	0.3
99.04436	0.4
107.04955	47.4
115.05410	1.3
119.04941	0.4
121.06502	5.1
130.08600	1.4
137.05000	0.5
137.05971	7.2
143.03828	0.5
143.04915	13.7
145.05449	0.4
145.06480	5.9
151.07509	1.5
162.09103	0.7
163.07523	1.7
175.07544	7.1
177.09120	0.4
178.08565	0.4
180.10185	2.2
192.08458	0.4
192.10182	11.0
206.11751	1.3
209.09602	2.7
211.11143	0.3
225.09016	0.7
228.97200	0.3
231.32729	0.3
237.09085	7.1
239.10626	0.5
251.10777	0.5
254.09384	0.4
268.13278	1.1
269.11707	28.8
271.13284	1.4
283.13370	0.3
292.10400	0.4
292.13867	2.0
300.15927	100.0
305.32217	0.3
462.21210	91.4
462.26572	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71354	0.8
58.06317	2.3
58.06608	56.6
61.89910	0.8
69.03414	1.3
72.08168	1.0
74.03001	1.0
85.02905	5.5
85.36494	0.9
97.09200	0.9
98.06071	1.7
107.04958	27.1
119.04954	6.0
121.06503	5.5
123.04425	2.2
137.05972	1.3
145.06499	2.1
147.04405	10.5
161.05937	8.7
163.07495	1.2
179.07036	9.2
213.21347	1.0
237.09027	1.0
240.62442	1.1
255.10152	14.9
257.11850	4.9
300.12442	2.5
300.15912	45.0
311.18228	1.1
462.21164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29962	0.4
58.06567	0.5
69.03355	0.5
76.66384	0.4
77.20623	0.5
85.02872	1.8
90.80632	0.5
107.04955	50.2
111.42975	0.5
113.29099	0.5
115.05415	1.9
120.57629	0.4
121.06479	5.4
123.04369	0.7
124.69691	0.4
129.21275	0.5
131.04836	0.5
133.73236	0.5
137.05991	9.0
143.04926	12.8
145.06493	7.1
162.09053	0.9
163.07399	0.8
164.17302	0.6
169.50854	0.5
175.06239	0.7
175.07535	10.0
180.10150	2.8
192.10193	11.9
206.11739	0.8
206.54063	0.5
209.09566	2.3
237.09091	8.2
239.10735	0.6
247.01707	0.5
251.74171	0.5
257.11905	0.7
268.13220	0.6
269.11719	27.3
271.13107	1.0
285.09805	0.6
300.15921	100.0
347.25906	0.6
407.61032	0.6
462.21262	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52527	0.2
80.98937	0.3
85.02868	1.5
107.04959	47.1
109.44226	0.3
115.05431	0.7
116.07063	0.3
119.04900	0.4
121.06529	5.2
126.58248	0.3
137.05170	0.3
137.05984	5.7
143.03844	0.5
143.04929	12.9
145.06494	7.6
151.07455	1.4
163.07521	1.4
175.07536	7.1
180.10164	2.0
192.10205	8.9
206.11711	1.3
209.09572	2.8
237.09090	7.1
239.10579	1.2
254.09367	0.6
257.11765	0.4
269.11713	27.1
271.13208	1.3
283.13327	0.4
300.15936	97.7
311.01706	0.3
343.60599	0.3
393.26981	0.4
462.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.6
62.83247	0.7
65.99331	0.6
69.03407	1.4
81.03413	1.6
85.02910	4.0
87.04465	1.2
97.02871	1.0
99.04478	1.1
104.82052	0.6
107.04961	51.2
121.06488	8.3
121.85677	0.8
127.03900	1.3
137.06000	9.8
141.91406	0.7
143.04927	14.9
145.06517	6.9
147.04404	1.5
162.09090	1.1
163.07541	1.2
175.07581	9.3
176.07021	1.4
180.10187	2.9
183.27885	0.8
192.10196	17.0
209.09669	4.0
237.09021	8.9
269.11682	25.9
269.14349	1.3
300.12650	2.5
300.15918	65.4
462.21225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
53.16076	0.6
58.06607	63.1
66.38668	0.6
69.03420	1.6
72.08156	1.2
74.06084	3.0
85.02932	6.3
97.02880	1.1
102.05535	1.0
107.04953	24.1
118.08669	0.7
119.04915	0.9
120.06567	5.6
121.06504	6.9
123.04461	3.5
137.06015	1.1
143.04869	0.9
145.06499	3.4
147.08029	1.4
161.05984	10.0
178.87215	0.8
214.43523	1.0
237.08983	0.9
245.52196	0.7
255.10121	15.5
257.11749	4.7
300.12436	1.8
300.15921	48.4
444.18442	0.9
462.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40635	0.5
51.74318	0.5
58.07244	0.6
58.69589	0.5
65.23840	0.7
69.03407	0.6
70.84574	0.7
72.08176	4.7
82.72675	0.6
98.06036	1.1
99.09795	0.8
107.04967	9.2
112.11259	2.8
121.06441	1.0
125.93560	0.7
129.13904	1.0
137.02339	43.4
137.05992	2.9
137.67137	0.6
143.04933	4.6
145.06450	1.1
175.07602	2.6
181.04944	50.4
192.10304	1.2
193.09691	0.9
194.08124	85.1
205.73717	0.9
211.10822	0.7
237.09152	1.6
244.65514	0.8
252.12286	7.4
259.90460	0.7
265.15512	1.0
269.11685	7.8
282.18115	0.8
300.15924	27.3
309.18176	1.0
326.20813	4.8
462.22095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.15367	0.6
57.15676	0.6
58.06617	1.3
61.02942	0.8
63.37232	0.6
65.54953	0.7
66.19601	0.6
66.21461	0.6
69.03451	1.5
72.04530	0.8
80.28307	0.8
81.03404	1.0
85.02901	7.1
86.09691	1.0
87.04445	0.8
97.02885	2.9
106.22982	0.6
109.02896	1.3
121.06503	62.9
123.04434	9.7
127.03970	1.2
135.04555	1.0
135.08080	10.2
137.05994	3.0
143.04955	7.2
145.05008	0.9
147.08063	1.1
149.05942	1.3
159.08093	8.1
161.05968	27.1
178.08646	5.8
181.32970	0.7
207.06517	0.8
211.11206	1.1
216.54543	0.7
223.11171	0.7
232.77507	0.8
239.10628	1.1
251.10750	1.2
257.11771	4.4
269.11731	27.9
271.13242	0.9
276.07306	0.8
300.15942	55.4
323.39636	0.7
462.21301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	1.6
59.80203	1.2
65.03088	1.4
68.63128	1.4
69.03432	3.4
70.06598	1.7
71.89307	1.8
81.03428	8.6
84.04523	1.7
85.02914	9.0
86.06053	7.1
87.04466	12.1
90.75340	1.5
96.31995	1.7
97.02891	4.1
98.06053	13.0
99.04461	22.8
104.04321	1.4
106.06543	2.3
107.04942	2.9
109.02869	2.9
116.07122	1.9
121.06503	50.1
123.04440	8.3
126.05495	2.6
127.03979	2.3
128.07092	3.9
134.06050	6.7
135.08064	10.6
140.07056	2.3
143.04939	6.9
148.07567	6.7
152.07047	1.8
159.08051	2.7
161.05954	24.0
166.08598	2.7
170.08109	2.4
176.07051	35.2
178.08685	6.8
194.08131	29.9
257.11707	3.7
269.11685	32.9
269.13858	1.7
293.48773	1.9
300.15918	42.8
408.16327	11.3
426.17767	12.2
444.18741	15.6
462.20895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.7
59.75056	0.6
64.40384	0.7
70.06579	0.9
72.08155	6.1
73.83489	0.7
96.76817	0.7
105.54186	0.7
107.04981	5.5
112.11249	1.3
124.26612	0.7
129.13876	1.1
137.02341	51.9
137.03401	1.8
137.05901	0.8
145.06534	0.8
175.07626	1.0
181.04945	53.8
194.08119	90.1
207.80798	0.7
252.12196	10.7
265.15363	1.7
269.11664	3.1
282.17932	1.1
300.15829	9.1
309.18146	1.5
326.20740	3.7
334.12158	0.8
355.71472	0.8
406.26129	0.8
458.15808	0.8
462.22269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.7
59.75056	0.6
64.40384	0.7
70.06579	0.9
72.08155	6.1
73.83489	0.7
96.76817	0.7
105.54186	0.7
107.04981	5.5
112.11249	1.3
124.26612	0.7
129.13876	1.1
137.02341	51.9
137.03401	1.8
137.05901	0.8
145.06534	0.8
175.07626	1.0
181.04945	53.8
194.08119	90.1
207.80798	0.7
252.12196	10.7
265.15363	1.7
269.11664	3.1
282.17932	1.1
300.15829	9.1
309.18146	1.5
326.20740	3.7
334.12158	0.8
355.71472	0.8
406.26129	0.8
458.15808	0.8
462.22269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.7
59.75056	0.6
64.40384	0.7
70.06579	0.9
72.08155	6.1
73.83489	0.7
96.76817	0.7
105.54186	0.7
107.04981	5.5
112.11249	1.3
124.26612	0.7
129.13876	1.1
137.02341	51.9
137.03401	1.8
137.05901	0.8
145.06534	0.8
175.07626	1.0
181.04945	53.8
194.08119	90.1
207.80798	0.7
252.12196	10.7
265.15363	1.7
269.11664	3.1
282.17932	1.1
300.15829	9.1
309.18146	1.5
326.20740	3.7
334.12158	0.8
355.71472	0.8
406.26129	0.8
458.15808	0.8
462.22269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.86576	0.3
60.66904	0.3
61.32400	0.3
62.07825	0.3
66.10829	0.3
67.05510	0.6
74.08147	0.3
81.07037	0.3
83.08584	0.4
95.08626	0.4
105.07019	0.4
107.08582	0.4
108.18326	0.4
119.08559	0.4
121.06526	1.9
121.10078	0.4
136.06183	2.8
137.08391	1.5
147.11653	0.6
162.09091	0.6
163.09895	0.4
174.09128	0.4
176.10652	5.6
184.48250	0.4
190.08636	8.0
190.12285	0.4
229.15924	0.4
232.16992	0.7
275.19946	0.8
276.15869	0.3
276.75983	0.3
291.18445	0.6
292.09546	3.0
304.09714	0.5
306.07764	1.2
318.16864	0.6
319.08383	0.5
320.09164	4.5
321.09891	8.6
322.09735	1.4
334.10818	1.8
334.20447	1.1
336.12277	23.2
354.24362	1.3
362.10236	1.3
382.23798	2.2
400.24655	1.5
462.19568	4.7
462.28476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07022	0.9
70.06586	3.8
72.19764	1.0
73.22087	1.0
78.96081	0.9
80.85316	1.0
84.08109	1.0
88.22073	1.0
91.47098	1.0
132.10191	1.6
137.00551	1.0
139.06612	1.0
146.11749	2.3
176.12819	1.2
182.15388	4.9
183.15758	2.0
194.11514	76.1
217.76874	1.0
281.36652	1.0
312.32428	2.2
356.35199	11.2
375.13632	1.1
400.37711	5.6
462.39151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90381	0.5
52.57668	0.5
54.23138	0.5
55.31934	0.5
58.06609	0.7
66.35412	0.5
69.03442	0.6
85.02890	1.2
89.05009	0.6
90.09205	0.5
93.85003	0.6
104.07467	0.6
110.24422	0.5
115.94612	0.6
119.01913	1.1
127.03931	0.8
143.01895	1.3
145.03487	0.5
155.01918	1.2
156.97464	1.0
159.19974	0.6
161.03000	1.4
167.01836	0.8
173.02975	2.5
174.98544	1.1
180.97447	10.4
180.98755	0.7
185.02977	3.8
198.98534	100.0
203.04051	0.9
210.98624	3.1
213.00043	1.2
216.99590	24.2
222.00174	0.7
222.98572	2.4
225.00096	1.2
228.99583	8.7
234.98570	3.9
240.99565	12.9
243.01193	0.7
245.05122	7.1
252.99559	0.7
259.00580	5.3
264.99478	0.8
277.01871	0.9
283.00674	9.0
301.01678	22.3
319.02658	4.4
343.02792	3.2
375.32822	0.7
463.06995	29.8
463.13660	4.2
481.08292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17905	0.5
61.86965	0.6
85.02924	0.7
93.46862	0.5
126.68901	0.6
138.96391	0.5
143.01932	2.4
143.27299	0.6
156.97502	0.7
161.02953	0.8
167.01924	0.7
173.02963	1.3
174.98543	0.8
180.97430	13.1
185.02977	3.2
197.02972	1.2
198.98529	100.0
210.98593	3.0
213.00197	0.8
215.04039	0.9
216.99582	21.2
222.98575	2.5
225.00198	1.0
227.03886	1.0
228.99622	9.3
234.98537	4.8
235.42523	0.6
240.99579	11.4
245.05031	8.0
252.99681	1.3
259.00687	4.9
283.00653	9.8
301.01675	24.2
301.05109	0.8
319.02744	4.2
343.03091	0.7
373.03882	1.0
377.02206	0.7
463.06961	27.2
463.13498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32054	0.8
63.35945	0.6
63.87746	0.7
66.43858	0.7
71.02594	0.7
72.84444	0.6
73.16743	0.6
78.09685	0.7
82.35244	0.7
86.66252	0.7
92.20876	0.8
123.55869	0.7
144.04428	3.9
232.28740	0.9
290.08063	1.1
292.09717	8.9
314.86670	0.9
318.07535	6.4
319.08151	1.4
320.09158	52.2
334.10516	1.0
337.12732	2.9
400.42773	0.9
407.13763	1.5
417.12164	5.6
433.12225	1.5
435.13699	6.2
445.11530	6.2
463.12906	100.0
463.19269	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
55.96420	0.6
65.98764	0.6
68.26246	0.7
68.66476	0.6
81.07047	1.0
83.68637	0.7
95.08588	0.9
101.06031	1.5
121.06518	1.0
133.10165	0.8
137.16731	0.7
165.05487	1.2
172.03993	1.2
174.05547	1.1
190.04979	47.7
218.04523	1.8
218.67720	1.0
234.07932	0.9
290.40662	0.8
306.07608	3.4
317.05460	2.9
319.07492	1.8
320.05472	4.7
320.08832	6.8
321.09842	4.9
322.10483	1.2
334.06992	13.0
334.10342	1.7
335.07883	3.3
336.12213	8.6
337.12628	4.7
345.08673	1.7
348.08386	4.8
349.09601	6.3
350.10025	1.3
361.08041	3.5
363.09750	48.9
364.08200	6.8
375.09814	1.5
389.07535	2.9
401.11206	1.2
463.14920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28217	0.2
58.06610	0.6
58.39209	0.3
89.61893	0.3
120.19549	0.3
139.13536	0.3
216.63983	0.3
256.79108	0.3
292.09668	10.3
293.10110	0.4
304.09747	1.4
306.07672	3.9
312.94531	0.3
320.09174	12.5
321.09940	28.0
322.10510	1.5
324.12286	1.5
334.10718	0.5
335.11499	0.3
336.12292	100.0
337.12622	3.8
338.13736	0.7
341.10211	0.3
351.09924	0.5
444.76974	0.3
463.15445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2811
Annotation	Kazinol K
Peak:m/z	Relative Intensity
55.05518	11.0
57.03429	3.4
57.07062	3.0
62.25775	1.8
66.39133	2.0
67.05510	37.2
69.07084	18.1
72.02225	1.8
79.05505	10.8
81.07068	34.2
82.11542	2.4
83.08637	8.4
91.05481	2.6
93.07047	13.5
95.08605	37.6
97.10168	5.4
98.98467	82.4
107.08578	3.6
109.10149	10.7
119.08609	4.8
121.10113	4.1
123.11729	4.3
127.01556	36.7
133.10242	3.3
147.11636	3.5
150.12958	2.1
155.01031	74.2
162.57100	2.1
168.13928	3.8
172.40327	2.4
183.04176	100.0
201.05385	8.7
229.85571	2.2
263.23706	9.4
272.19235	2.4
290.41397	2.2
337.27341	61.4
362.10043	3.6
378.13397	3.3
385.05972	3.0
406.12671	19.4
429.33817	2.5
443.88849	2.5
445.27310	4.5
463.19919	13.4
463.37430	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
57.07079	11.5
62.37054	6.8
62.51579	7.6
63.04688	5.5
64.55659	6.7
69.07066	10.0
71.08643	15.8
74.18012	6.2
81.07062	36.8
83.08624	6.4
84.64935	6.6
85.10212	13.1
91.05476	8.5
91.99608	6.5
93.07036	28.5
95.08613	43.3
105.07019	8.7
107.08600	16.3
109.02871	7.5
109.10155	10.1
121.10161	13.9
123.11709	7.7
133.10110	10.2
145.10127	28.4
147.11644	11.4
156.50877	7.9
161.13254	7.6
163.18611	6.1
171.52745	7.6
178.70042	6.6
227.87895	7.0
247.28049	8.8
251.63255	7.4
427.35687	49.1
445.36884	100.0
463.24622	13.3
463.31039	12.4
463.38809	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.51940	7.5
53.97188	6.2
56.26926	6.7
57.07085	12.5
65.45119	7.7
69.07076	21.0
71.08627	14.1
77.81232	6.9
79.51082	7.9
80.66658	7.7
83.08638	16.9
85.10192	9.2
85.62042	8.8
86.30917	7.8
97.10153	16.1
117.99693	8.1
125.05999	13.4
137.05997	19.8
139.07545	37.7
149.09593	10.8
151.07558	11.4
165.05403	15.0
177.09116	100.0
178.68948	8.8
179.07047	17.8
399.35782	13.7
417.37009	11.4
427.35855	16.4
441.82214	8.5
441.88309	8.7
445.36682	97.2
463.37534	36.4
485.05881	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
50.66666	10.5
56.74557	10.8
57.07095	12.5
57.56946	9.8
60.74380	10.6
61.88580	10.6
63.95053	11.5
65.82227	11.1
66.94529	12.1
69.07074	15.0
74.72870	13.4
75.07146	11.5
81.07066	13.8
85.10210	12.0
105.72018	12.7
112.63847	11.7
139.07547	48.0
169.52333	11.9
199.91461	13.5
211.50975	12.4
213.47279	13.0
235.41612	13.8
309.13223	12.7
445.36719	13.4
463.37924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
57.07076	32.2
67.02312	4.7
67.02726	4.5
69.07072	9.5
71.08633	26.2
81.07042	8.9
85.10185	7.1
87.17041	5.4
89.54984	6.1
91.35930	5.0
109.06519	6.9
123.07998	10.8
125.05986	11.5
127.07536	27.2
139.07536	76.4
197.58488	5.9
445.36758	35.7
463.37766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.41919	3.9
55.05507	5.7
57.07068	20.9
64.66191	4.1
65.55777	5.0
67.05521	7.0
69.07064	24.7
71.08637	11.6
72.75011	4.6
74.93462	5.0
81.07011	6.0
83.08633	8.2
85.10182	5.2
87.43652	4.8
90.79628	4.9
93.32708	4.9
95.08573	5.4
109.06487	7.3
123.08073	4.8
132.20422	5.5
137.05957	41.0
147.93985	4.8
151.07520	24.9
167.07076	22.1
177.09094	31.4
179.07036	75.1
316.29785	5.5
403.35654	29.5
417.37314	6.2
427.35687	41.9
432.04437	5.4
445.36835	98.4
463.31915	7.0
463.37711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	3.4
59.51240	0.7
67.05504	1.9
68.67418	0.8
68.90067	0.6
69.07072	0.8
70.06592	1.7
76.45815	0.7
81.07075	5.8
83.08614	0.8
84.08142	1.6
91.05483	1.0
91.63072	0.7
95.08607	3.5
98.26530	1.0
105.07044	1.1
109.10139	1.1
121.10085	1.5
135.11713	1.4
138.27846	0.7
147.11719	1.4
154.12289	1.0
164.14325	1.4
168.13797	1.0
182.15404	100.0
199.18062	23.7
207.39700	0.8
345.06689	0.8
446.39728	7.8
463.43130	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00450	0.3
53.82747	0.3
55.05489	0.7
56.05039	4.5
57.03381	0.3
57.07051	0.7
60.80454	0.2
67.05515	3.8
69.07064	2.9
70.06593	2.4
71.08591	0.5
79.05457	1.2
80.98238	0.3
81.03372	1.4
81.07059	5.2
83.08573	1.7
84.08145	3.2
85.10174	0.3
91.05457	0.7
93.06975	1.3
95.08606	4.1
97.10138	0.5
98.09640	0.5
99.08044	0.4
105.07012	0.6
107.08534	1.4
109.02231	0.3
109.02882	5.8
109.06509	0.3
109.10187	2.2
119.08523	1.4
121.10114	1.3
123.11635	0.5
127.03843	1.4
131.85016	0.3
135.11703	2.3
137.09587	0.4
141.64319	0.3
147.11639	2.0
153.12747	0.3
154.12248	5.6
154.15794	0.5
161.13162	0.4
164.14284	1.6
168.13847	5.3
171.14894	2.9
182.15392	100.0
185.16489	1.8
199.18047	24.1
302.21259	0.5
402.98627	0.3
428.39249	0.4
446.39981	7.4
457.57526	0.3
463.42752	22.7
473.97824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56130	0.5
85.63893	0.6
86.02464	0.5
92.21598	1.2
118.10616	0.6
125.53021	0.6
203.01173	0.6
276.06311	0.6
290.08096	10.1
302.08139	3.1
304.06033	8.3
318.07642	11.2
319.08380	53.3
334.10712	100.0
371.05188	0.7
464.13391	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47475	0.4
58.64848	0.5
64.35200	0.4
86.09715	1.0
95.63468	0.5
98.13236	0.4
108.40994	0.4
121.63111	0.4
137.05975	2.0
143.44006	0.4
187.06233	3.0
221.12820	0.9
224.07018	6.1
238.08502	0.5
242.19972	0.5
256.06033	1.0
260.06998	0.7
269.06763	0.5
308.09213	0.6
320.09164	3.4
341.10309	0.9
341.87305	0.4
342.11453	0.6
343.12170	1.0
344.09198	1.8
346.10785	1.8
354.71210	0.5
358.10760	2.0
359.07709	1.0
359.11810	0.9
360.12259	20.4
361.13147	2.1
370.10907	0.5
372.08588	2.6
374.10092	3.5
380.21921	0.7
385.09372	0.7
386.10175	0.6
387.11075	2.0
391.10114	0.7
400.11954	6.0
404.11282	2.6
418.12924	8.9
446.12900	6.9
464.13382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97524	0.2
67.02733	0.2
85.02898	0.3
86.09718	1.3
95.56497	0.3
97.02890	0.3
99.04455	0.6
137.05963	2.1
187.06238	2.5
221.12924	1.0
224.07008	4.5
230.13867	0.5
251.13538	0.3
256.06021	0.5
259.29300	0.3
260.07086	1.3
267.13492	1.3
268.09131	0.3
314.11710	0.6
329.10547	0.3
330.11392	0.4
332.08926	0.3
334.10828	0.4
341.10635	0.9
342.11328	1.3
343.08389	0.4
343.12195	0.5
344.09225	1.3
345.10001	0.6
346.10818	1.7
354.07761	0.3
357.09799	0.4
358.10748	2.4
359.07806	1.4
359.11725	1.7
360.12314	19.2
361.13083	1.2
372.08710	2.7
372.12766	0.6
373.09180	0.4
373.13278	0.6
374.10141	2.9
374.14337	0.5
380.21851	1.6
385.09525	0.4
386.10080	0.6
387.10931	2.5
388.12292	0.4
391.10550	0.6
392.21698	0.4
400.11737	4.7
404.11319	2.6
410.22916	0.6
418.12845	8.6
420.14761	0.5
436.14041	0.5
446.12323	6.4
446.25037	0.5
448.10397	0.4
464.13394	100.0
476.87631	0.3
483.63232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58606	0.2
60.13553	0.2
70.72714	0.2
96.55878	0.3
111.01933	0.3
121.06503	0.6
122.77419	0.3
124.77116	0.2
142.80307	0.2
187.06290	1.3
224.07132	1.1
236.97217	0.3
247.93440	0.3
260.07007	2.8
265.08383	0.3
303.14444	0.3
328.09378	0.5
330.11337	0.5
331.12259	0.3
342.11252	1.1
343.12064	0.4
344.09018	1.0
345.09906	1.6
346.10721	1.4
358.10840	1.6
360.12299	34.8
372.08542	4.7
384.09097	0.3
386.10147	1.6
387.10974	1.8
391.10553	2.1
400.11902	1.3
404.11331	2.9
405.11758	0.5
418.13000	1.7
420.14453	1.1
432.63733	0.3
446.12241	2.1
464.13388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31173	0.3
56.86840	0.3
58.91322	0.4
59.09545	0.3
59.85748	0.3
63.33779	0.3
99.04469	0.4
124.10354	0.4
153.09125	0.5
166.06204	0.6
181.08577	4.0
182.03957	2.1
196.03519	0.4
276.06598	0.5
290.08118	9.1
302.08154	3.3
303.46945	0.4
304.05981	8.9
318.07538	11.6
319.08374	61.9
320.08624	2.5
321.08981	1.9
334.10706	100.0
335.11075	1.7
336.11450	4.5
458.69855	0.4
464.13232	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37288	0.3
61.92962	0.3
61.99189	0.4
64.58456	0.3
69.99172	0.3
101.36145	0.4
162.82272	0.4
177.13171	0.3
187.06355	0.7
196.08701	0.4
196.95184	0.3
224.07082	0.8
248.43723	0.4
260.07120	2.3
309.33179	0.4
330.11346	0.5
332.09393	0.6
336.12372	0.5
338.13074	0.6
342.11319	0.9
345.09991	1.8
346.10745	1.5
356.09424	0.4
358.06921	0.5
358.10779	1.8
359.11621	0.4
360.12292	36.3
372.08578	4.4
374.10187	0.6
386.10355	1.8
387.11041	1.7
388.12103	0.4
391.10580	1.7
400.11612	0.8
404.11313	2.7
405.11987	0.6
418.12851	2.2
420.14856	0.5
446.12585	1.9
464.13422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58606	0.2
60.13553	0.2
70.72714	0.2
96.55878	0.3
111.01933	0.3
121.06503	0.6
122.77419	0.3
124.77116	0.2
142.80307	0.2
187.06290	1.3
224.07132	1.1
236.97217	0.3
247.93440	0.3
260.07007	2.8
265.08383	0.3
303.14444	0.3
328.09378	0.5
330.11337	0.5
331.12259	0.3
342.11252	1.1
343.12064	0.4
344.09018	1.0
345.09906	1.6
346.10721	1.4
358.10840	1.6
360.12299	34.8
372.08542	4.7
384.09097	0.3
386.10147	1.6
387.10974	1.8
391.10553	2.1
400.11902	1.3
404.11331	2.9
405.11758	0.5
418.13000	1.7
420.14453	1.1
432.63733	0.3
446.12241	2.1
464.13388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78717	0.9
58.83002	0.8
76.55754	0.9
83.68623	1.0
122.32917	1.0
125.92513	1.3
132.09637	1.3
133.57916	1.1
248.74910	1.1
308.09244	1.3
313.11179	2.3
316.09885	1.2
320.09116	4.0
328.10577	1.8
330.11273	5.3
336.12350	2.6
342.11438	1.5
343.12140	4.4
344.09152	15.1
344.12799	3.1
358.06903	1.3
358.10663	11.2
359.11450	5.7
360.12357	7.1
361.09439	5.6
369.09763	7.5
370.10541	1.7
371.11539	5.1
372.08350	9.5
372.12683	8.5
373.13019	5.4
374.09836	1.9
374.13873	5.3
375.10721	1.5
376.11819	5.5
386.10242	6.6
387.11005	42.1
388.12387	1.4
390.09622	2.0
402.13397	35.5
404.11349	5.5
405.11801	1.7
416.11420	4.5
420.10629	6.5
431.09918	2.5
446.12363	14.5
463.82196	1.6
464.13367	100.0
468.69107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78717	0.9
58.83002	0.8
76.55754	0.9
83.68623	1.0
122.32917	1.0
125.92513	1.3
132.09637	1.3
133.57916	1.1
248.74910	1.1
308.09244	1.3
313.11179	2.3
316.09885	1.2
320.09116	4.0
328.10577	1.8
330.11273	5.3
336.12350	2.6
342.11438	1.5
343.12140	4.4
344.09152	15.1
344.12799	3.1
358.06903	1.3
358.10663	11.2
359.11450	5.7
360.12357	7.1
361.09439	5.6
369.09763	7.5
370.10541	1.7
371.11539	5.1
372.08350	9.5
372.12683	8.5
373.13019	5.4
374.09836	1.9
374.13873	5.3
375.10721	1.5
376.11819	5.5
386.10242	6.6
387.11005	42.1
388.12387	1.4
390.09622	2.0
402.13397	35.5
404.11349	5.5
405.11801	1.7
416.11420	4.5
420.10629	6.5
431.09918	2.5
446.12363	14.5
463.82196	1.6
464.13367	100.0
468.69107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73690	0.4
71.17876	0.5
76.57806	0.4
131.00571	0.5
246.60188	0.5
264.06598	0.6
266.08157	0.6
294.07440	4.0
305.06866	1.2
306.07492	0.7
307.08432	2.1
320.09253	0.9
321.09964	0.6
322.07083	13.4
323.07834	3.3
334.07159	4.2
335.07941	0.7
336.05011	27.9
336.11743	1.0
337.09280	1.2
338.06622	0.9
338.10001	3.6
348.12161	0.7
350.06436	4.0
351.07382	19.8
351.11356	1.0
352.15536	1.0
366.09714	100.0
422.12564	1.1
434.16458	0.6
462.25262	0.6
464.13239	3.1
464.20609	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
61.02927	1.1
67.45282	0.9
69.03410	2.0
70.44473	1.0
73.02901	4.8
83.17390	1.0
85.02877	6.5
92.21578	2.1
93.07020	5.3
97.02890	2.6
99.18664	1.1
107.08622	3.8
115.03909	4.4
125.90067	1.0
135.11652	6.5
145.04988	1.4
153.12772	1.6
212.49487	1.3
292.09851	1.9
307.11923	1.6
320.09174	10.5
321.09732	2.8
334.10620	4.4
335.11267	1.6
336.12289	27.4
350.10168	2.0
357.06287	2.3
358.07050	15.7
359.07678	1.4
369.09836	1.2
370.07016	1.9
372.08701	7.8
373.09265	4.5
374.10068	10.4
377.08682	1.7
384.08591	2.2
385.09354	7.2
386.06400	49.3
386.10339	5.1
387.10760	6.6
389.05295	1.3
400.11865	14.8
401.08817	2.2
404.06818	19.5
404.11414	8.6
418.12854	9.4
446.12268	11.1
464.13223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96886	0.7
60.51329	0.7
64.12910	0.9
64.35584	1.0
69.08437	0.8
70.66439	0.8
99.84861	0.9
110.86605	1.0
121.82900	0.8
136.06305	1.0
264.29938	1.0
286.54892	0.9
290.08124	8.8
302.07959	3.4
304.06119	7.2
318.07550	14.7
319.08389	43.3
319.11996	2.0
320.09174	5.9
334.10718	74.3
336.12164	5.6
342.07535	5.7
360.08600	5.9
370.07074	6.9
371.07767	5.6
372.08649	1.6
374.06436	2.0
386.10172	12.6
388.08127	13.3
389.08945	12.5
402.09683	3.9
404.11282	25.5
413.08603	1.0
418.13138	3.3
428.10892	1.1
446.12292	21.1
464.13376	100.0
464.20337	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92923	0.5
61.85562	0.5
81.79092	0.5
88.03175	0.5
101.97934	0.6
112.66073	0.6
149.05858	0.6
157.17522	0.6
176.07076	0.9
313.10971	1.1
316.09833	1.0
316.13184	1.0
320.09042	4.2
321.09549	0.8
322.10547	0.8
328.09656	1.4
329.10703	1.2
330.11310	4.6
331.08258	1.2
331.12125	1.2
332.12814	1.0
336.12170	0.8
338.13751	3.7
341.10419	1.0
343.08459	0.9
343.12070	7.4
344.09167	9.3
344.12921	4.3
345.13589	1.0
346.07031	0.8
346.10892	1.2
356.09317	0.8
358.10760	11.9
359.11502	6.6
360.08511	0.8
360.12372	4.9
361.09433	3.7
368.09390	1.2
369.10065	7.5
370.10791	2.2
371.11731	5.8
372.08411	10.7
372.12643	6.5
373.13345	5.8
374.09897	3.1
374.13956	6.1
375.10666	1.1
375.14899	0.8
376.11783	4.0
386.10260	6.3
387.10971	40.4
388.07648	0.9
388.12149	1.0
389.12704	0.9
390.09570	1.3
400.12430	0.8
402.13376	40.0
403.10495	0.8
404.11432	2.5
405.12259	4.6
416.11292	4.5
418.12869	2.3
420.10178	6.4
420.15451	1.6
431.10120	1.4
446.12415	10.9
452.68268	0.6
464.13409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59127	0.6
54.59493	0.5
57.59999	0.7
58.06614	7.4
69.03419	1.0
71.56495	0.6
73.02912	0.9
81.03424	1.1
85.02896	3.6
86.06062	0.7
87.04449	1.2
97.02829	0.9
103.05470	4.0
104.06424	0.6
104.07133	3.8
105.07037	24.0
107.04966	4.5
108.05318	0.7
109.02819	0.8
119.04884	0.7
122.03612	0.7
123.04358	0.7
123.77538	0.8
125.02320	1.3
131.04933	36.4
131.05905	1.4
133.04919	2.9
133.06496	100.0
137.05986	67.0
137.07057	1.6
147.08055	0.7
151.07562	6.6
152.95049	0.7
161.05949	2.7
163.07578	9.6
163.47685	0.6
164.07082	3.9
165.09114	65.6
179.05492	1.1
181.08578	6.9
187.01732	0.8
195.14197	0.8
196.73370	0.7
242.98309	1.6
261.11053	1.1
300.15927	1.6
301.16574	0.8
302.16483	2.9
343.13925	12.1
464.21994	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14583	0.5
55.01886	0.8
58.06601	2.5
69.03407	0.6
73.02911	0.5
79.05503	1.2
81.03415	0.6
85.02890	2.4
86.44505	0.6
88.96659	0.5
97.02906	1.0
100.85521	0.6
102.11197	0.6
103.05462	3.6
104.07113	1.0
105.07037	25.8
107.04937	0.8
115.03929	1.0
115.05427	0.7
119.05000	0.7
124.05270	0.6
126.14356	0.6
131.04932	37.6
133.04878	2.9
133.06494	100.0
137.05984	64.9
146.02728	0.7
150.24831	0.6
151.07564	6.7
161.06010	0.9
163.07526	11.3
165.09111	77.3
179.05521	2.4
181.08609	7.5
191.76311	0.7
212.11017	0.7
242.21396	0.9
242.98332	1.0
261.11191	1.3
302.10281	1.1
302.16650	0.8
343.13910	13.9
446.14536	0.7
464.21866	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48912	1.4
59.79538	1.5
64.18476	1.2
84.42656	1.4
92.21523	2.0
99.04430	2.1
121.06415	2.0
164.06995	1.8
292.09665	9.9
301.07037	8.5
302.07452	20.3
304.09784	2.0
307.18793	1.5
320.09195	22.8
321.09970	28.7
336.12280	100.0
346.10919	2.1
388.11853	2.1
392.11038	3.3
404.14987	2.5
430.12436	2.0
431.13611	2.3
434.12143	3.7
436.15189	1.7
446.15985	1.8
448.13892	9.2
448.72824	1.7
464.17392	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01207	0.8
78.68790	0.9
103.25249	0.9
106.69034	0.9
114.76208	1.0
167.22928	1.2
171.47421	1.1
236.16370	1.2
290.08072	12.6
302.08356	1.5
302.24710	1.4
304.05969	9.7
318.07486	13.0
319.08414	54.5
320.09262	1.6
321.09946	1.6
334.10712	100.0
336.12427	6.9
338.13602	1.8
464.17130	56.3
479.37262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06653	0.7
54.01594	0.7
54.20760	0.8
56.97258	0.8
63.81543	0.9
70.43018	0.9
93.23944	0.8
95.08635	1.2
99.04438	1.1
111.02467	0.9
113.08452	0.9
121.06466	1.0
133.18399	0.8
318.07632	1.0
322.10797	4.4
332.09143	2.1
333.09891	29.9
336.08621	17.1
336.12387	1.1
350.06433	1.1
350.10428	3.8
351.10956	23.0
366.13342	100.0
464.17059	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51649	1.7
83.22197	1.9
90.01021	1.9
101.44473	1.7
157.34576	1.8
245.51120	1.7
321.09772	4.4
328.60953	2.6
336.12149	16.0
338.13745	2.4
344.12827	2.1
346.10593	3.3
350.13885	2.7
358.10641	8.6
360.12247	3.1
374.10199	19.1
374.14178	3.6
375.10941	10.8
375.15100	3.5
376.11780	7.0
387.14673	12.1
388.11685	8.2
388.15839	6.9
389.12247	2.5
390.17117	4.6
400.15573	9.0
403.14093	18.1
418.16516	100.0
436.17709	3.0
446.16092	30.2
464.16708	3.9
464.24103	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85695	0.4
58.35826	0.5
61.59306	0.4
81.98923	0.5
95.08572	0.6
102.14896	0.4
136.06197	0.6
149.06001	4.1
157.06476	3.8
171.08057	4.1
176.07066	4.1
183.08226	0.6
185.09653	2.0
187.07503	2.9
190.08670	0.8
202.08601	0.7
213.09114	3.6
215.10699	11.0
218.08112	23.8
253.08644	0.9
255.09947	0.6
292.09662	0.7
302.59885	0.6
320.09171	81.0
321.09644	1.0
322.10083	0.7
336.12274	3.0
374.13971	0.8
402.17218	0.9
418.16632	6.0
464.16998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55236	0.6
55.01876	0.8
59.27678	0.7
64.62229	1.0
69.03440	3.8
77.54360	0.8
78.11904	0.7
81.92155	0.8
85.02910	12.2
87.04490	1.3
93.59483	0.9
97.02905	6.3
99.04468	1.2
107.04958	96.6
109.02888	1.3
121.06477	8.9
124.56528	0.8
127.03938	2.0
136.07652	0.9
139.03961	1.0
145.06474	17.9
147.04411	1.2
153.05444	17.2
159.04427	10.0
167.07120	1.9
173.05963	16.0
177.05533	1.9
179.07108	4.8
191.07043	14.2
194.08104	7.6
205.04831	3.5
206.05093	3.8
207.08202	2.1
225.09157	3.4
235.07640	4.1
239.10738	1.2
253.08556	21.2
267.10037	1.3
270.09027	1.1
270.11523	1.0
271.09769	1.9
285.11212	43.3
302.13882	47.4
302.17395	1.9
321.79794	1.1
404.12872	1.2
443.04892	1.0
464.19293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
57.03417	0.6
57.13362	0.3
58.06582	0.7
61.02915	0.6
69.03431	3.3
69.22278	0.3
71.04978	0.4
73.02919	0.7
76.16651	0.3
81.03426	1.2
85.02913	7.1
87.04435	1.7
89.54993	0.3
97.02886	2.7
99.04474	0.7
107.04955	45.4
109.02862	0.7
115.83413	0.3
119.04913	0.4
121.06510	5.8
125.51597	0.4
127.03907	2.3
129.81482	0.3
131.04904	0.8
133.06404	0.8
139.03905	11.2
145.06487	8.9
147.04379	0.4
148.22879	0.3
153.05450	1.3
159.04408	10.7
165.05429	2.7
177.05469	14.6
178.08501	0.4
179.07014	0.5
182.08165	3.0
185.86021	0.4
189.05579	0.4
191.07019	0.4
194.08121	5.3
197.09605	0.4
208.09613	0.5
213.09068	0.5
225.09123	1.4
227.15404	0.3
243.10120	0.5
245.08109	0.5
253.08511	3.1
259.09561	3.0
271.09631	30.0
273.11203	1.8
285.11227	1.5
302.13861	80.1
323.21939	0.4
464.19156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33906	0.9
58.06575	1.2
58.63197	0.8
61.02908	1.2
65.94384	1.0
69.03427	2.2
71.04975	0.8
81.03414	1.2
85.02917	8.3
97.02888	2.3
99.04461	1.4
107.04954	88.3
118.70387	1.0
121.06498	6.7
127.03938	1.4
139.03874	1.7
145.06500	12.8
153.05455	11.4
159.04396	8.3
167.06970	2.0
173.05952	8.6
177.05490	4.0
179.06993	1.8
187.07536	1.4
190.08560	1.4
191.06990	14.0
194.08109	6.5
200.43845	1.0
207.08086	2.0
225.09094	1.4
227.10663	1.8
235.07494	4.2
253.08551	13.4
267.09976	1.3
271.09625	6.4
285.08322	1.8
285.11200	37.4
290.78476	1.1
302.13907	41.5
302.17337	4.6
332.09253	2.3
334.10687	1.6
348.11005	1.6
349.11768	4.7
417.38757	1.0
464.19073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26335	0.6
51.94576	0.6
57.03416	0.9
58.06605	0.7
69.03416	3.4
85.02897	9.3
87.04477	1.2
91.37751	0.8
97.02900	4.4
107.04956	87.9
108.02984	0.7
109.02873	1.4
121.06515	7.1
127.03854	1.3
139.03944	1.2
145.06458	14.6
153.05458	11.3
159.04414	8.0
173.05959	12.1
177.05472	1.9
177.13193	0.8
179.06960	4.0
182.08131	1.1
184.46559	0.8
191.07011	12.2
194.08148	5.2
197.09612	0.9
207.08087	1.6
208.09666	1.0
217.30005	0.8
225.09105	1.9
235.07439	1.8
235.34306	1.0
253.08575	20.4
267.10294	1.3
270.08832	1.7
271.09708	7.4
285.11209	37.7
302.13846	42.7
449.90338	0.8
464.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1917
Annotation	Naamidine B
Peak:m/z	Relative Intensity
52.11335	0.9
52.28286	0.9
61.02931	1.5
69.03429	4.7
70.06594	1.8
80.85387	0.9
81.44335	1.0
82.47480	1.1
85.02912	10.3
86.09712	2.7
87.04467	1.6
97.02896	2.5
99.04442	1.3
106.45024	1.1
107.04961	87.2
112.59667	1.0
118.58957	0.9
121.06505	11.4
127.03896	1.6
131.04984	1.9
136.06223	4.0
137.06023	1.6
139.03963	1.9
145.06488	16.6
147.04463	2.1
153.05493	12.7
159.04440	9.8
164.10712	2.6
167.07091	1.7
173.05983	13.2
179.07066	5.1
182.08159	1.6
191.07028	15.0
194.08168	5.0
199.00655	1.2
205.04776	5.0
206.05067	2.3
207.08078	1.9
208.09604	1.1
212.12880	1.9
225.09019	2.2
230.13937	5.6
235.07590	2.3
253.08571	20.6
270.08932	2.3
271.09671	4.6
285.11227	41.4
302.13873	42.9
302.17361	2.3
332.09323	1.6
334.10468	1.4
340.49915	1.1
349.12140	1.2
380.21753	2.5
464.19208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1914
Annotation	Naamidine B
Peak:m/z	Relative Intensity
51.78137	0.3
53.03957	0.5
57.03448	0.5
58.06608	0.9
61.02921	0.5
69.03439	3.3
69.07674	0.4
72.88317	0.4
74.90344	0.4
81.03403	0.9
81.38511	0.5
85.02906	7.2
87.04461	1.0
97.02893	2.8
107.04955	48.5
110.97182	0.5
121.06509	7.2
127.03923	2.0
131.04950	1.1
133.06517	0.6
139.03911	9.4
145.06474	8.3
147.04437	0.6
149.05930	0.5
151.30283	0.5
153.05444	1.8
159.04402	9.7
161.05873	0.7
164.75734	0.5
165.05482	3.0
177.05467	14.5
179.06976	0.6
182.08119	5.0
194.08206	4.0
197.09525	0.6
208.09621	0.6
213.09018	0.7
214.57712	0.5
225.09093	0.6
243.10130	0.8
253.08487	3.4
255.10017	0.8
259.09714	2.5
271.09628	27.9
273.11224	1.1
275.66748	0.4
285.11200	1.9
302.13846	73.7
464.19101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55236	0.6
55.01876	0.8
59.27678	0.7
64.62229	1.0
69.03440	3.8
77.54360	0.8
78.11904	0.7
81.92155	0.8
85.02910	12.2
87.04490	1.3
93.59483	0.9
97.02905	6.3
99.04468	1.2
107.04958	96.6
109.02888	1.3
121.06477	8.9
124.56528	0.8
127.03938	2.0
136.07652	0.9
139.03961	1.0
145.06474	17.9
147.04411	1.2
153.05444	17.2
159.04427	10.0
167.07120	1.9
173.05963	16.0
177.05533	1.9
179.07108	4.8
191.07043	14.2
194.08104	7.6
205.04831	3.5
206.05093	3.8
207.08202	2.1
225.09157	3.4
235.07640	4.1
239.10738	1.2
253.08556	21.2
267.10037	1.3
270.09027	1.1
270.11523	1.0
271.09769	1.9
285.11212	43.3
302.13882	47.4
302.17395	1.9
321.79794	1.1
404.12872	1.2
443.04892	1.0
464.19293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2068
Annotation	Specioseine
Peak:m/z	Relative Intensity
51.97439	0.9
53.00334	1.5
56.94000	0.8
68.90878	0.8
70.35217	1.0
71.08634	38.4
72.04531	4.3
77.03712	1.1
77.73618	0.9
99.08088	11.1
105.39050	1.1
124.81605	1.2
139.19389	1.1
166.72433	1.2
184.07402	1.3
213.07813	10.7
215.56241	1.1
304.10379	1.2
333.09958	2.6
334.10822	1.3
336.08630	1.9
347.11484	1.8
350.10312	7.0
351.11026	21.6
365.12653	26.8
366.13376	51.5
398.90613	1.1
464.20679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2065
Annotation	Specioseine
Peak:m/z	Relative Intensity
54.66881	1.6
95.08576	2.1
98.98438	1.8
99.18948	1.9
109.54269	1.9
113.27355	1.6
146.73549	1.7
168.07722	1.8
226.08624	26.8
227.09488	3.5
245.01369	2.0
283.15631	11.6
332.08997	11.9
333.09964	3.5
338.27560	2.2
346.10529	2.1
347.11563	10.9
348.11884	1.9
349.09079	2.2
350.10318	14.8
351.11014	10.7
364.11746	49.2
365.12585	100.0
366.13440	14.0
378.13242	3.7
407.13065	3.7
421.18875	8.3
436.21176	94.0
436.27094	3.2
464.20560	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31202	0.7
52.72768	0.6
56.15043	0.7
56.49069	0.7
56.49413	0.5
80.47281	0.8
81.07040	1.3
107.08658	0.8
120.08154	1.5
121.71027	0.8
126.74802	0.8
131.04951	1.6
148.07597	1.6
149.05977	12.2
161.06023	6.1
174.05533	1.0
174.44214	0.7
176.07054	75.0
178.08649	7.2
199.07556	1.0
211.11162	9.4
229.08595	34.3
241.12189	7.3
271.13272	9.3
277.21548	1.1
299.12750	5.9
318.07626	1.5
319.08356	1.5
320.05472	1.2
320.09143	20.1
321.09760	5.8
322.10364	7.3
334.10663	7.7
336.12277	40.3
337.12488	1.2
338.13611	1.2
366.09818	4.9
387.15970	1.1
388.16574	1.7
389.16858	0.8
464.20706	100.0
471.29849	1.0
483.75894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16766	0.3
53.59703	0.3
53.60624	0.3
63.46864	0.3
84.20057	0.4
88.73249	0.4
94.55461	0.4
101.61057	0.4
146.93469	0.4
154.05626	0.4
181.30684	0.4
274.66281	0.4
290.07996	0.6
292.09665	7.3
304.06427	0.5
304.09659	1.4
305.10059	0.5
306.07208	3.4
307.10895	0.5
317.09326	0.7
318.07675	0.9
319.08279	3.2
320.09137	15.4
321.09940	24.6
322.10532	0.9
327.13605	0.5
334.10785	6.3
336.12268	100.0
464.20709	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58653	0.4
58.69332	0.5
63.96479	0.5
69.18251	0.5
78.56251	0.5
98.14589	0.5
103.14396	0.6
107.85815	0.6
117.82543	0.5
121.06496	4.1
152.84192	0.5
157.11943	0.6
164.07169	0.6
246.09354	0.6
266.89249	0.5
292.09650	9.9
302.22110	0.7
304.09683	1.3
306.07779	2.7
319.08618	0.9
320.09174	12.7
321.09943	30.7
324.12149	0.7
334.10873	3.6
336.12296	100.0
350.13980	0.9
460.25790	0.6
464.20804	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02575	0.8
64.89083	0.7
69.42004	0.9
120.03055	0.8
183.55005	0.8
245.13690	1.3
247.47086	0.9
250.07191	0.9
292.09668	10.5
304.09549	1.7
306.07492	3.9
320.09131	31.1
321.09955	35.1
323.11365	1.1
336.12286	100.0
337.12976	1.9
338.13483	1.4
350.37933	1.0
352.15060	5.8
365.08353	1.0
464.13193	5.5
464.20175	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53943	0.4
53.15700	0.4
54.72494	0.6
60.63300	0.5
75.57996	0.5
77.80711	0.5
81.07095	0.7
97.04404	0.5
100.43808	0.6
108.59494	0.6
266.02698	0.6
283.76688	0.6
292.09583	10.1
302.09961	1.0
304.09854	1.1
306.07529	2.8
306.78107	0.6
307.08398	1.1
308.09521	0.8
320.05557	6.5
320.09250	18.0
321.06143	1.3
321.09918	31.8
322.10724	19.3
334.10773	2.3
336.12271	100.0
351.07556	1.0
357.62457	0.6
358.10806	1.1
366.09790	0.8
386.10297	1.4
411.80838	0.6
424.25604	0.6
464.13849	4.7
464.20761	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2067
Annotation	Specioseine
Peak:m/z	Relative Intensity
60.67521	0.5
69.03450	0.8
71.63273	0.5
93.06976	0.6
97.98472	0.6
102.37570	0.6
121.06506	3.4
126.29440	0.6
136.06259	1.2
148.34653	0.7
268.17123	0.6
292.09723	9.9
304.09720	1.2
306.07632	4.3
320.09158	14.1
321.09958	33.2
334.10776	1.2
336.12292	100.0
390.77441	0.7
448.17719	1.3
464.20709	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79216	0.2
56.84781	0.2
115.62392	0.2
121.06483	1.8
128.64165	0.3
182.57283	0.3
190.24957	0.2
194.26006	0.3
195.46306	0.2
292.09683	10.0
304.06500	0.3
304.09616	1.9
306.07547	3.1
319.08331	2.9
320.09152	11.3
321.09943	33.1
322.10684	0.5
323.11383	1.3
334.10776	5.9
336.12274	100.0
337.12766	0.6
338.13724	2.9
464.20712	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92744	0.8
56.54399	0.6
58.06597	0.7
61.39068	0.6
61.59815	0.6
63.56214	0.6
66.88762	0.6
81.39711	0.6
88.29897	0.6
104.08322	0.7
111.96119	0.7
130.49168	0.7
150.08907	0.7
161.47519	0.8
185.36752	0.7
232.38432	0.6
235.88721	0.6
242.42824	0.6
249.65625	0.7
262.41376	0.7
281.43008	0.8
292.09708	9.2
295.23154	0.9
306.07660	2.9
308.09305	0.9
320.09204	19.2
321.09903	27.2
334.07095	0.9
334.10730	1.6
336.12286	100.0
416.02576	0.9
422.12051	1.2
464.14880	3.0
464.20767	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2071
Annotation	Specioseine
Peak:m/z	Relative Intensity
50.96078	0.2
55.05498	0.5
58.06597	0.8
67.05487	1.3
69.07077	0.5
71.08627	0.5
78.13838	0.3
79.05494	0.3
81.07038	1.8
83.08594	0.6
92.42944	0.3
93.07025	1.5
95.08598	0.7
97.06556	0.4
97.10147	1.4
99.08068	0.7
107.08583	0.4
109.06528	0.4
109.10174	0.4
111.08094	0.4
125.09630	1.6
131.08521	0.5
133.10123	0.4
135.11684	0.5
136.06204	0.6
149.13309	0.3
151.11157	0.6
161.05949	0.4
161.13147	0.7
189.11241	0.5
195.13931	0.3
241.19415	0.3
277.21634	3.8
290.15622	0.4
292.09689	2.2
295.22672	3.0
300.99307	0.4
308.09241	0.4
318.07706	0.6
319.08298	1.8
320.09167	100.0
322.10568	0.5
334.10736	4.2
336.12195	1.9
337.12936	0.6
366.09695	0.4
432.18146	0.6
446.19849	0.4
464.15335	1.5
464.20621	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44302	1.3
55.84368	1.4
60.55481	1.1
67.05498	2.6
69.07047	2.1
72.61617	1.4
81.07040	3.6
89.60754	1.4
92.47894	1.8
93.07040	2.9
95.08572	1.7
97.10079	1.8
107.08585	2.4
109.10171	1.8
120.08083	1.6
121.10153	2.1
125.09655	1.6
131.04903	3.4
131.80396	1.6
133.10075	1.8
149.05951	14.9
161.06003	2.9
176.07045	72.0
178.08609	8.4
211.11209	9.0
213.12862	2.5
229.08568	32.0
241.12273	2.5
271.13245	12.2
277.21680	9.4
277.74631	1.7
292.09756	2.6
295.22641	2.4
299.12808	2.8
320.09158	32.1
321.09470	19.3
322.09854	19.8
336.12225	22.6
352.08005	2.7
366.09641	22.8
408.80374	1.9
418.12875	2.3
464.13455	9.8
464.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
55.27386	0.5
58.06591	0.5
58.23746	0.6
67.05490	0.6
70.97366	0.5
74.31776	0.5
81.07053	1.1
84.61165	0.6
86.22507	0.6
93.07030	0.9
95.45468	0.6
97.10146	0.9
107.08573	0.8
107.86284	0.6
109.10144	0.7
125.09608	1.3
133.10164	0.6
137.05948	0.8
149.13326	0.6
177.12740	0.7
179.14314	0.6
206.04524	1.4
210.37184	0.7
240.56342	0.6
249.49168	0.6
277.21680	1.3
291.08890	0.9
292.09619	11.3
295.22675	1.2
304.09802	1.1
306.07663	3.7
307.08313	9.1
320.09177	19.0
321.09927	29.6
322.10724	81.2
336.12271	100.0
411.23474	0.8
449.56076	0.9
464.13654	3.1
464.20703	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71617	0.4
55.01862	0.7
57.03446	10.5
61.02924	3.5
61.31894	0.5
69.03436	12.5
71.01347	0.7
71.04980	1.0
71.05865	0.5
73.02515	1.1
73.02918	28.0
79.47833	0.5
81.03428	0.9
85.02908	25.1
87.04441	1.0
91.03955	0.9
97.02892	22.1
99.04477	1.2
103.03983	0.6
103.05455	1.0
105.07034	3.6
109.02865	3.1
112.79948	0.5
115.03922	13.5
127.03905	7.8
132.06490	0.6
133.04967	3.0
134.24428	0.7
135.08052	100.0
145.04915	5.6
150.07646	2.3
153.09131	2.7
163.06049	0.8
172.75595	0.6
173.09448	0.7
177.09023	2.2
201.09067	0.9
219.10159	2.5
223.06062	0.7
231.10150	2.3
241.07056	2.4
249.11234	2.4
259.08136	2.9
267.12341	0.8
279.12143	1.1
295.10229	7.0
297.13379	0.8
315.14346	4.4
464.12906	0.6
464.21140	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2797
Annotation	Cytochalasin T
Peak:m/z	Relative Intensity
51.48713	2.0
55.01883	2.3
55.05512	2.7
60.53033	2.1
62.35863	2.5
67.05508	13.4
69.07084	3.8
77.23666	2.5
79.05499	10.6
81.07060	17.4
83.04999	5.5
83.08611	2.7
91.05489	60.6
93.07037	14.8
95.08591	18.5
96.04520	2.6
105.07045	24.2
107.08607	16.6
108.08073	3.0
109.06532	4.9
109.10132	9.7
111.04431	29.7
117.06994	10.6
119.08593	19.8
120.08112	25.1
121.10171	5.8
129.06999	3.4
131.08574	14.4
133.06468	3.3
133.10095	9.8
135.08073	4.5
135.11693	5.0
141.07092	2.3
143.08551	4.4
144.08044	2.6
145.10110	15.6
145.11327	2.3
147.11703	4.2
149.09634	2.7
155.08636	2.9
157.10124	9.7
159.08040	4.0
159.11678	14.3
161.09602	2.9
171.11708	5.0
172.07565	46.3
173.13264	5.7
174.09137	2.7
175.11177	3.3
181.10155	3.6
183.11810	4.0
184.07568	4.5
186.09102	13.8
187.11200	3.6
195.11670	3.9
197.13251	3.3
198.09167	13.9
200.07098	2.6
200.10725	3.3
201.12758	3.6
207.11760	3.3
209.13251	3.0
212.10762	4.8
213.12741	2.6
214.12291	6.2
221.13289	2.8
223.14830	4.1
235.11229	2.9
254.15359	3.1
281.19006	4.0
346.21683	3.9
364.22617	11.0
392.22250	48.7
400.26224	5.0
415.03046	2.8
428.25909	18.4
446.26929	78.0
464.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2795
Annotation	Cytochalasin T
Peak:m/z	Relative Intensity
51.12778	2.3
55.01887	3.0
61.54398	3.2
64.88245	2.3
67.05505	5.3
79.05497	4.7
81.07049	13.3
83.04977	3.4
86.28200	3.0
91.05486	66.2
93.07051	19.5
95.04978	3.1
95.08612	15.6
105.07034	17.0
107.08605	13.2
111.04440	16.5
111.08070	3.4
117.07014	13.2
119.08566	19.5
120.08096	29.4
121.10136	14.9
129.07004	4.5
131.08612	10.0
133.10141	11.3
135.08035	3.3
141.07001	6.7
143.08595	3.2
144.08057	4.0
145.10126	16.6
146.06055	3.0
147.11681	6.8
157.10095	4.2
159.11697	15.4
161.09648	4.2
165.09123	4.2
170.09630	3.5
171.11642	3.6
172.07562	53.3
173.13255	6.7
178.85632	3.1
183.11725	2.8
184.07587	5.0
186.09088	7.1
198.09152	6.0
212.10756	3.7
226.12209	5.2
261.46161	3.1
271.74377	3.5
364.22559	6.8
374.21259	4.0
392.22226	59.4
418.27496	4.6
428.25964	15.0
446.26825	100.0
464.27890	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2797
Annotation	Deoxaphomin
Peak:m/z	Relative Intensity
54.12940	2.7
67.05495	21.3
69.07063	4.2
79.05496	7.4
81.07057	26.7
89.71648	2.8
91.04958	5.2
91.05483	85.4
93.07033	19.0
94.06565	4.9
95.08614	23.8
105.07018	23.4
107.04948	3.4
107.08585	15.5
108.01842	3.2
109.10159	14.7
117.07040	6.9
119.08586	21.0
120.08111	35.9
121.10122	13.9
123.11703	3.7
131.08592	14.2
133.10130	6.5
135.08041	4.8
143.01079	3.4
143.08603	4.5
145.10139	16.4
146.05988	3.9
147.11655	4.6
149.13274	4.4
155.08524	5.0
157.10098	4.9
158.97408	3.4
159.11700	5.2
161.09657	4.0
161.13240	17.3
162.09085	3.1
163.11168	5.1
166.08737	6.3
167.08533	4.6
169.12819	3.0
171.11659	5.7
172.07623	7.9
173.08316	4.8
173.13277	3.6
179.08453	3.2
186.09131	4.2
186.12822	19.8
187.09917	5.9
189.12750	3.9
197.13255	3.8
198.09198	7.4
200.10724	17.2
201.11414	4.3
207.11581	3.2
209.13287	3.5
210.08839	3.2
221.13350	4.1
224.14374	4.0
226.12431	6.5
238.12222	3.3
240.13835	7.2
252.13782	5.9
258.14941	4.3
264.13748	46.3
278.15433	15.9
334.10803	5.4
344.20178	4.3
372.21524	3.8
400.26282	20.3
410.24261	3.5
418.27170	7.6
428.25851	78.9
442.90182	3.9
446.20779	5.3
446.26855	100.0
464.28094	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05515	10.3
55.46375	1.3
57.62080	1.3
58.06613	3.3
61.38459	1.4
67.05506	21.1
69.07069	3.8
71.08630	14.3
79.05482	10.9
79.27126	1.6
81.07061	26.2
83.05000	2.2
83.08646	12.6
85.06567	1.9
85.69271	1.8
89.02399	1.9
90.81613	1.6
91.05482	12.2
93.07031	15.7
95.08630	13.9
97.06541	3.1
97.10162	20.7
99.08087	8.8
105.07008	8.1
107.08587	15.1
109.10160	8.5
117.07009	2.1
119.08552	7.6
119.94431	1.7
121.10144	7.6
123.08068	2.3
123.11715	2.5
125.09647	18.4
127.58678	2.0
131.08543	2.0
133.10135	7.7
135.11690	8.7
137.09636	4.0
147.11638	2.5
149.13229	6.6
151.11192	10.4
155.10631	1.9
159.11633	3.1
161.13261	7.1
163.11185	2.3
165.12808	2.5
171.11617	2.1
175.14856	2.2
177.12737	2.9
179.14326	8.1
181.12193	1.6
185.13284	2.0
189.11226	16.4
189.83528	2.0
193.04996	3.9
213.14908	1.9
218.08266	3.9
237.07495	3.0
241.19556	2.1
259.20590	4.0
259.40933	2.0
276.09930	2.0
277.21649	54.0
285.46933	2.2
287.11172	3.0
290.08304	1.9
292.09723	10.8
295.22656	40.4
306.07385	2.9
307.08292	2.8
308.09149	13.8
311.15140	2.3
312.77716	2.0
318.07614	2.1
319.08298	7.3
320.09152	59.6
321.09909	34.3
322.10519	3.4
324.12396	2.3
334.10742	20.6
336.12271	100.0
338.13947	2.5
352.15326	3.2
366.09445	2.2
393.22415	1.9
411.23758	9.2
464.12616	3.3
464.21124	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1001
Annotation	Enzalutamide
Peak:m/z	Relative Intensity
62.52460	0.7
63.47871	0.7
68.55338	0.8
94.74644	0.8
95.46310	0.9
98.97596	0.9
101.26709	1.0
106.05537	0.8
122.05965	1.1
140.07034	1.5
164.07048	5.1
182.97369	1.0
200.98370	5.1
218.99338	1.6
222.02928	0.9
228.44499	1.0
303.01434	1.1
312.98721	1.0
465.10010	100.0
465.17557	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1016
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
53.03941	0.3
54.49760	0.2
55.62108	0.2
56.93998	0.2
57.03428	0.4
61.02930	1.7
69.03430	2.4
73.02910	0.8
81.03423	1.5
83.98266	0.2
85.02908	8.8
91.03941	0.5
92.21662	0.2
97.02903	2.9
99.04454	0.8
109.02869	0.8
110.98027	0.2
127.03899	1.5
137.02290	0.4
145.04955	1.2
153.01834	0.8
165.01805	1.0
179.05611	0.2
197.01082	0.2
221.20773	0.2
229.04948	1.1
246.48439	0.2
247.06047	0.3
257.02048	0.2
257.04419	1.4
274.04828	0.3
285.03906	0.8
303.04980	100.0
454.10422	0.2
479.94016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
51.14416	0.3
61.02929	5.1
61.99206	0.4
69.03412	0.6
73.02924	0.8
74.88877	0.3
85.02911	5.0
87.93512	0.4
91.03958	2.7
92.48672	0.4
97.02898	2.7
100.90515	0.4
127.03937	0.6
131.31062	0.4
137.02318	0.8
139.42050	0.4
145.04985	0.4
153.01773	0.6
229.04906	0.5
257.04306	0.7
285.03955	0.5
303.04993	100.0
319.08261	0.5
320.08777	1.6
334.10892	0.6
335.11111	2.8
369.06277	0.4
414.95798	0.4
465.17365	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.11557	0.1
50.29829	0.1
54.37279	0.1
55.38697	0.1
57.03423	0.1
61.02931	5.3
69.03420	1.0
73.02927	1.3
85.02906	4.9
91.03963	2.6
91.62492	0.2
93.72749	0.1
97.02900	2.6
99.04463	0.3
109.02900	0.2
109.89693	0.2
111.00784	0.2
115.03963	0.2
121.02850	0.3
127.03912	1.0
137.02338	0.7
145.04999	0.2
153.01840	0.7
165.01805	0.7
183.02911	0.3
194.92960	0.2
201.05414	0.2
229.04951	0.8
238.66338	0.2
247.06049	0.2
257.04520	1.1
274.04697	0.2
275.05521	0.2
285.03949	0.7
303.04990	100.0
315.04874	0.7
345.06107	0.2
361.12634	1.0
449.10519	0.2
465.13730	3.5
465.19543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
60.91355	0.2
61.02646	0.2
61.02938	4.5
62.27274	0.2
64.24635	0.2
69.03433	0.9
73.02917	1.6
85.02913	4.9
91.03960	2.6
97.02893	2.7
125.95711	0.2
127.03912	0.4
137.02351	0.5
146.58401	0.2
153.01834	1.0
165.01862	1.0
183.02785	0.3
221.38414	0.2
229.04962	0.9
247.05952	0.4
257.04480	1.8
274.05005	0.2
285.03891	0.3
303.04996	100.0
303.57858	0.2
315.04941	0.4
342.23996	0.2
345.06100	0.4
465.10489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04744	0.3
60.90626	0.4
70.36145	0.4
70.53181	0.3
73.04168	0.4
111.73019	0.4
139.23169	0.4
154.27789	0.6
276.06305	0.5
290.08075	11.3
302.08063	3.4
304.06082	10.2
318.07584	14.9
319.08362	50.8
320.09097	0.8
334.10712	100.0
335.10886	0.9
336.12192	4.0
465.06415	0.8
465.12912	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38398	0.4
53.68644	0.4
57.37230	0.5
57.56165	0.4
58.09409	0.4
105.06296	0.5
115.35408	0.5
142.46507	0.5
176.15579	0.6
232.10243	0.5
234.79192	0.5
245.04984	0.7
322.37369	0.5
331.46039	0.5
331.92770	0.5
356.05869	0.5
465.13666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88363	0.6
98.62722	0.9
102.54392	0.9
144.13129	0.8
177.00734	0.9
236.09158	2.0
238.29233	1.0
465.13614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12054	0.8
56.26081	0.7
83.05700	0.9
123.01572	0.9
141.37479	0.8
330.50485	0.9
465.13687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46551	0.5
64.02885	0.6
65.00040	0.7
81.23965	0.6
86.44330	0.6
87.50341	0.7
92.21005	0.8
97.69449	0.7
99.52554	0.7
102.75081	0.6
105.34354	0.6
111.60586	0.7
149.06013	0.8
176.07042	8.3
177.07452	3.8
178.25476	0.8
229.08705	3.4
230.08856	1.3
255.19974	0.9
271.05212	0.7
307.08539	0.7
320.09192	1.1
321.09741	3.0
322.10812	2.8
323.11139	4.0
334.07159	3.9
334.10831	1.0
336.12329	3.5
337.12640	8.0
422.12665	4.4
433.11871	0.9
449.11490	1.1
450.12131	66.4
453.66306	0.7
465.14581	100.0
465.21082	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34702	1.7
58.31215	2.0
69.03421	9.8
70.06580	3.7
79.05491	2.6
81.03464	5.7
81.07047	11.9
85.02926	3.8
86.06065	20.2
87.04494	13.9
97.02889	10.5
98.06060	30.5
99.04443	3.1
104.16217	2.1
107.04957	4.0
108.04464	9.0
109.02868	10.4
110.06043	8.7
114.05527	2.3
116.07092	11.6
121.06484	4.1
122.07135	2.2
124.07562	3.6
125.04807	2.9
125.05988	12.4
126.05529	11.8
127.03909	2.1
128.07059	9.0
137.80801	2.1
138.09142	4.0
146.08081	2.6
148.07599	4.1
152.07089	3.1
153.05450	8.3
164.04327	2.0
166.08603	4.8
167.32239	2.2
176.07027	21.0
177.05389	2.4
182.04524	8.1
182.08139	10.0
194.08125	82.6
212.09209	14.6
223.33458	2.1
225.07356	2.1
230.10339	2.4
272.09906	2.1
298.12985	2.5
302.13989	2.5
303.04944	10.3
303.14020	12.2
316.13943	9.8
327.38013	2.4
382.14932	3.4
409.72369	2.1
429.15060	12.3
447.16080	83.7
465.17111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34702	1.7
58.31215	2.0
69.03421	9.8
70.06580	3.7
79.05491	2.6
81.03464	5.7
81.07047	11.9
85.02926	3.8
86.06065	20.2
87.04494	13.9
97.02889	10.5
98.06060	30.5
99.04443	3.1
104.16217	2.1
107.04957	4.0
108.04464	9.0
109.02868	10.4
110.06043	8.7
114.05527	2.3
116.07092	11.6
121.06484	4.1
122.07135	2.2
124.07562	3.6
125.04807	2.9
125.05988	12.4
126.05529	11.8
127.03909	2.1
128.07059	9.0
137.80801	2.1
138.09142	4.0
146.08081	2.6
148.07599	4.1
152.07089	3.1
153.05450	8.3
164.04327	2.0
166.08603	4.8
167.32239	2.2
176.07027	21.0
177.05389	2.4
182.04524	8.1
182.08139	10.0
194.08125	82.6
212.09209	14.6
223.33458	2.1
225.07356	2.1
230.10339	2.4
272.09906	2.1
298.12985	2.5
302.13989	2.5
303.04944	10.3
303.14020	12.2
316.13943	9.8
327.38013	2.4
382.14932	3.4
409.72369	2.1
429.15060	12.3
447.16080	83.7
465.17111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64631	3.8
61.68658	4.1
78.05694	4.2
81.03409	10.0
85.02924	38.7
99.04448	59.1
99.77785	5.2
103.03956	5.8
110.06072	6.2
130.06534	53.8
132.08118	24.6
144.08037	51.6
146.06015	69.2
156.08102	49.9
168.08084	29.2
170.05971	19.4
170.09654	7.4
180.08128	6.2
182.06082	8.8
183.09186	22.5
184.07536	10.2
185.10721	4.8
188.07104	79.9
196.07819	5.6
202.08588	7.9
220.62532	5.0
222.09186	49.9
225.10104	5.4
229.09717	99.3
254.08110	10.5
258.11368	6.4
271.10809	30.5
303.05023	8.3
338.13730	6.0
339.60641	5.3
343.02887	6.7
356.14786	6.4
374.15778	7.3
429.16571	57.3
447.17661	100.0
465.19086	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2249
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
51.87642	1.0
55.05518	8.4
57.03436	2.2
59.79746	1.3
67.05506	9.4
69.07069	12.8
71.08637	22.0
78.27844	1.2
79.05491	8.0
81.07062	10.4
83.04985	1.5
83.08617	5.1
89.62061	1.1
91.05469	2.5
92.99054	1.2
93.07050	7.3
95.04974	1.7
95.08614	5.7
97.10188	9.7
98.98460	24.4
99.08091	15.0
105.07027	1.8
107.04958	1.4
107.08611	9.3
109.10159	7.1
117.07021	1.9
119.08564	1.5
121.10142	1.8
123.08035	1.6
125.09644	10.8
131.08627	1.5
133.10143	6.2
139.11157	1.8
149.09637	1.5
149.13274	1.6
151.11188	2.0
153.09123	2.6
155.01033	1.8
159.11693	1.7
171.84950	1.4
173.02068	2.2
177.12746	2.1
227.12794	2.8
260.57306	1.2
275.19971	12.7
275.91928	1.2
293.21106	100.0
319.08224	2.2
320.05478	1.6
320.09219	6.1
321.09512	3.1
322.10510	1.5
335.11191	1.6
336.12051	1.4
339.14029	6.4
349.23730	6.4
367.24783	75.6
429.20410	20.0
447.21179	14.2
465.14719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02313	1.1
55.01878	8.0
55.05525	16.9
57.03443	7.4
57.07085	13.4
57.60383	1.2
59.80957	1.4
61.88789	1.2
67.05506	8.7
69.07075	32.0
71.08635	5.7
73.02905	6.3
73.66676	1.3
79.05495	7.0
79.38490	1.2
81.07073	13.4
83.08626	29.3
85.10188	3.0
93.07056	7.7
95.08607	9.8
97.06535	2.9
97.10184	17.6
98.98479	48.4
107.08604	6.6
109.10160	5.3
111.11702	5.1
121.10133	7.5
123.11671	2.4
125.09610	1.6
129.05464	3.2
135.11710	9.3
137.00011	5.8
149.13254	5.1
155.01038	60.3
197.13232	1.3
209.13515	1.4
217.07295	1.4
219.21004	1.8
237.22203	7.7
311.22192	3.4
311.25812	100.0
447.25043	31.7
447.31674	2.8
465.25421	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02313	1.1
55.01878	8.0
55.05525	16.9
57.03443	7.4
57.07085	13.4
57.60383	1.2
59.80957	1.4
61.88789	1.2
67.05506	8.7
69.07075	32.0
71.08635	5.7
73.02905	6.3
73.66676	1.3
79.05495	7.0
79.38490	1.2
81.07073	13.4
83.08626	29.3
85.10188	3.0
93.07056	7.7
95.08607	9.8
97.06535	2.9
97.10184	17.6
98.98479	48.4
107.08604	6.6
109.10160	5.3
111.11702	5.1
121.10133	7.5
123.11671	2.4
125.09610	1.6
129.05464	3.2
135.11710	9.3
137.00011	5.8
149.13254	5.1
155.01038	60.3
197.13232	1.3
209.13515	1.4
217.07295	1.4
219.21004	1.8
237.22203	7.7
311.22192	3.4
311.25812	100.0
447.25043	31.7
447.31674	2.8
465.25421	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02313	1.1
55.01878	8.0
55.05525	16.9
57.03443	7.4
57.07085	13.4
57.60383	1.2
59.80957	1.4
61.88789	1.2
67.05506	8.7
69.07075	32.0
71.08635	5.7
73.02905	6.3
73.66676	1.3
79.05495	7.0
79.38490	1.2
81.07073	13.4
83.08626	29.3
85.10188	3.0
93.07056	7.7
95.08607	9.8
97.06535	2.9
97.10184	17.6
98.98479	48.4
107.08604	6.6
109.10160	5.3
111.11702	5.1
121.10133	7.5
123.11671	2.4
125.09610	1.6
129.05464	3.2
135.11710	9.3
137.00011	5.8
149.13254	5.1
155.01038	60.3
197.13232	1.3
209.13515	1.4
217.07295	1.4
219.21004	1.8
237.22203	7.7
311.22192	3.4
311.25812	100.0
447.25043	31.7
447.31674	2.8
465.25421	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3109
Annotation	112648-68-7
Peak:m/z	Relative Intensity
50.54140	0.6
54.96882	0.6
55.05505	0.9
62.00090	0.7
67.05508	3.1
69.07081	0.9
79.05486	1.2
81.07059	1.6
82.12591	0.7
84.80323	0.7
91.05451	1.1
93.07033	1.4
93.89756	0.8
95.08607	1.8
98.47508	0.7
107.08575	1.1
109.10161	1.4
118.06554	1.5
121.10168	1.4
130.06517	9.7
131.08607	0.8
132.08075	7.6
133.10136	0.9
144.08093	7.0
146.06003	28.4
147.95888	0.8
159.09172	34.2
170.06001	3.1
177.18799	0.7
187.08688	1.2
188.07059	100.0
205.09737	26.8
261.22070	0.8
265.89130	0.8
419.30518	5.2
450.71396	0.8
465.31006	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	7.0
57.10793	3.0
67.05508	35.6
68.08466	3.1
69.07074	18.9
71.27915	3.9
73.47806	3.2
79.05495	18.1
81.07061	57.4
83.08630	16.9
91.05473	8.4
93.07040	17.8
95.08609	47.1
97.06529	6.9
97.10158	5.2
97.85690	3.7
105.07052	14.0
107.08597	20.6
109.10153	34.0
119.08615	7.5
121.10126	30.2
123.11713	7.1
127.31962	3.8
131.08598	5.6
133.10132	15.0
135.11707	18.2
140.46400	3.4
145.10150	6.2
149.13284	12.7
163.03778	5.1
171.11591	4.3
186.60338	3.9
196.40335	4.3
241.00652	4.5
268.44290	4.1
317.23807	4.1
347.48615	4.0
364.25314	28.5
396.04974	3.9
401.23730	3.7
412.35828	5.0
413.34146	23.1
424.27499	18.4
430.36826	37.2
431.34955	7.0
447.39200	17.6
448.37778	34.1
465.40567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13895	0.7
51.19755	0.6
53.69433	0.7
69.85928	0.7
69.90943	0.7
76.77103	0.8
78.02314	0.7
79.28239	0.7
84.12801	0.7
92.21535	1.5
114.61063	0.7
129.93443	0.8
180.29887	0.8
279.08786	1.2
280.84427	0.8
292.06161	0.9
306.07639	13.3
308.09042	1.6
318.07526	4.2
319.08328	1.6
320.05630	9.5
320.09116	1.9
321.09601	1.4
324.12259	1.0
334.06952	10.1
334.10727	4.6
335.07867	48.8
336.12161	6.2
350.10226	100.0
361.35382	0.8
435.00958	1.0
466.11105	42.9
493.61029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12608	0.2
60.13248	0.2
94.57114	0.2
101.02760	0.2
112.35107	0.2
121.29344	0.2
137.81873	0.2
255.78122	0.2
262.08783	0.4
278.08051	1.5
279.08896	2.1
289.07156	0.3
290.08261	0.4
292.06308	0.3
292.09680	0.3
294.07605	0.9
305.06784	0.4
306.07608	17.1
308.09192	2.6
318.07599	3.4
320.05530	8.5
320.08978	0.5
321.09946	0.4
322.10483	0.3
334.07086	9.8
335.07886	48.4
336.12170	0.3
349.09744	0.4
350.10239	100.0
378.09570	0.8
466.11346	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13895	0.7
51.19755	0.6
53.69433	0.7
69.85928	0.7
69.90943	0.7
76.77103	0.8
78.02314	0.7
79.28239	0.7
84.12801	0.7
92.21535	1.5
114.61063	0.7
129.93443	0.8
180.29887	0.8
279.08786	1.2
280.84427	0.8
292.06161	0.9
306.07639	13.3
308.09042	1.6
318.07526	4.2
319.08328	1.6
320.05630	9.5
320.09116	1.9
321.09601	1.4
324.12259	1.0
334.06952	10.1
334.10727	4.6
335.07867	48.8
336.12161	6.2
350.10226	100.0
361.35382	0.8
435.00958	1.0
466.11105	42.9
493.61029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57064	0.4
65.72270	0.4
73.59296	0.4
82.04517	0.4
89.37072	0.4
119.59531	0.4
121.06499	2.0
148.72467	0.4
152.57249	0.5
175.92679	0.5
277.07364	0.7
278.08081	6.8
289.07556	0.6
290.08133	0.6
291.08868	3.7
292.06332	0.9
292.09586	7.7
304.09573	0.7
306.07611	18.6
307.08344	4.9
318.07513	5.1
319.08392	1.0
320.05521	23.7
320.09204	7.0
321.09943	25.8
322.10687	3.1
334.07141	4.0
334.10556	0.6
335.07877	22.9
336.12283	73.8
337.12640	0.5
338.13086	0.9
350.10229	100.0
360.12457	0.6
362.18341	0.6
434.19958	0.6
466.11835	9.4
466.22208	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87605	0.5
59.09274	0.4
66.04656	0.6
71.56609	0.5
76.54855	0.5
97.31123	0.5
135.08026	0.9
140.46777	0.7
159.78632	0.5
167.34827	0.5
235.20969	0.5
260.88440	0.6
300.67154	0.5
301.10800	1.0
308.09232	2.7
319.08307	0.8
320.09225	1.3
321.09750	0.9
322.10593	1.2
334.10568	1.3
336.12311	5.5
350.10300	0.8
392.09259	5.0
408.08896	4.0
419.07928	16.3
420.08710	46.1
422.10281	14.3
423.10706	1.0
432.08688	3.5
434.10318	1.0
436.08154	13.1
450.09711	29.0
451.10458	1.1
466.12851	100.0
466.23230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31619	0.2
55.41244	0.2
56.11952	0.3
56.56771	0.2
60.85365	0.3
71.59761	0.2
77.76714	0.3
87.49923	0.2
88.52039	0.2
92.21558	0.5
99.04477	0.3
101.56611	0.3
167.82516	0.3
208.11835	0.3
233.75873	0.3
262.08694	0.4
278.08102	1.2
279.08954	1.4
292.06161	0.4
294.07559	0.5
306.07544	10.3
318.07773	2.0
319.08383	0.4
320.05493	6.2
334.07077	6.8
335.07858	37.0
350.10217	100.0
466.15274	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04747	0.3
66.43589	0.3
72.45679	0.3
92.21526	0.5
99.04491	0.5
117.57101	0.3
182.86362	0.3
278.08160	0.6
278.10968	0.4
279.08929	1.9
279.50330	0.4
290.08072	2.1
298.88794	0.4
304.05948	1.3
306.07571	13.4
318.07565	3.1
319.08444	6.2
320.05563	6.4
320.09079	0.6
334.07022	6.5
334.10727	10.2
335.07861	38.8
336.12268	1.3
345.76022	0.3
350.10214	100.0
436.28891	0.3
466.15277	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55203	0.3
88.79206	0.4
220.73907	0.5
229.30775	0.4
255.38242	0.5
292.09720	3.2
304.93399	0.5
319.08322	1.8
320.09158	11.6
321.10025	4.8
321.37457	0.5
334.10788	5.0
335.07925	0.7
336.12283	100.0
338.13318	0.5
350.10114	1.0
423.40045	0.5
466.15012	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.6
70.82992	0.5
82.77258	0.5
83.10271	0.5
89.21461	0.6
101.71668	0.6
104.05844	0.6
125.21079	0.6
142.60550	0.6
165.05460	3.1
172.03903	1.3
190.04982	12.1
196.98743	0.7
210.22026	0.6
213.13319	0.6
218.04544	1.3
235.06242	0.7
263.05841	2.4
264.06622	3.1
276.06644	0.7
290.08057	2.5
292.06021	6.2
293.06885	2.4
303.05225	3.6
308.05560	1.3
318.07660	7.8
319.04721	0.7
319.08508	0.9
320.05466	11.7
320.09158	4.5
321.06348	3.2
331.04745	4.2
336.12247	1.0
346.07211	5.0
348.04974	2.7
349.05817	11.2
350.06512	3.1
364.08133	100.0
448.14005	7.0
466.14737	22.1
466.20313	0.8
466.25586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63983	0.4
55.80717	0.4
58.49463	0.4
78.46810	0.5
81.13105	0.5
83.02933	0.5
88.96360	0.4
102.17857	0.5
103.68282	0.4
117.70444	0.5
142.43478	0.5
153.17191	0.4
154.08725	0.5
169.76405	0.5
228.95436	0.7
278.08105	0.8
279.08908	0.6
294.07458	0.6
306.07596	12.0
318.07520	2.4
320.05469	6.7
334.06989	6.1
335.07849	36.8
350.10202	100.0
392.68030	0.5
466.15024	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96130	1.0
57.26541	0.9
58.29860	1.0
68.72034	0.9
71.83454	1.0
80.53306	1.0
96.19399	1.0
280.10175	1.1
292.09677	6.6
306.07635	1.3
314.27728	1.2
320.09305	11.7
321.09946	24.7
331.11774	1.4
336.12317	100.0
344.09079	1.1
350.10083	1.5
360.12674	1.6
388.11734	9.9
390.13391	5.8
393.04770	1.2
406.12878	19.3
407.13693	9.6
434.12576	8.7
435.12997	7.7
436.09842	1.6
466.14868	59.9
466.22043	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40891	0.2
51.71879	0.2
56.42237	0.3
56.91227	0.3
60.44942	0.3
60.59887	0.3
61.23518	0.3
62.22320	0.3
63.10252	0.3
64.30790	0.3
71.55799	0.3
75.40821	0.2
76.05634	0.3
81.07027	0.3
88.37350	0.3
103.85310	0.3
159.56227	0.3
259.97070	0.4
276.48547	0.3
278.07980	1.1
292.09689	13.7
304.09738	1.9
306.07642	4.8
320.09134	13.8
320.12778	0.6
321.09958	36.4
336.12289	100.0
352.15250	0.6
410.53836	0.4
466.14917	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00446	0.3
65.35086	0.3
70.22159	0.4
74.27783	0.3
82.82836	0.4
86.43633	0.3
92.11827	0.3
94.20664	0.3
100.09772	0.4
120.33382	0.4
120.52934	0.4
210.42557	0.4
247.98512	0.4
248.34361	0.4
275.37210	0.4
292.09671	10.0
304.09622	2.2
306.07660	2.6
320.09106	12.8
321.09946	27.4
335.11053	0.5
336.12271	100.0
390.81335	0.4
466.18677	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63911	0.7
65.88061	0.7
71.06510	0.7
79.26324	0.8
80.29266	0.7
87.51227	0.8
131.87645	0.9
147.37289	0.9
149.05937	1.2
169.85318	0.9
176.07117	6.6
207.21890	0.9
243.13768	1.6
279.33685	0.7
292.09842	1.1
316.09647	3.3
318.11386	1.4
320.09146	7.4
321.09882	4.2
323.11047	0.9
331.12039	1.6
332.12711	1.4
334.10721	3.6
336.12375	9.2
337.12842	1.5
338.13138	1.2
345.09851	1.0
346.10690	10.0
347.11420	6.4
348.08670	1.6
348.12463	2.7
349.09525	0.9
359.11328	1.5
359.15256	3.2
360.12122	3.2
360.15991	1.3
362.10150	19.1
362.14047	6.0
363.10925	12.4
364.11633	3.4
372.12247	1.1
374.17557	3.4
376.11578	6.6
376.15848	1.5
377.12274	1.3
387.14377	0.9
388.15271	0.9
389.16162	5.0
390.13330	3.5
392.18726	1.9
402.17020	59.7
405.15756	15.6
420.18057	100.0
438.19211	6.5
448.17508	39.6
448.28162	5.1
466.22180	11.1
466.29965	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03360	0.5
54.14948	0.6
55.66418	0.7
56.97544	0.7
58.98230	0.6
79.81252	0.7
103.42625	0.8
118.06567	1.0
119.04948	1.3
132.04504	2.7
136.05219	1.8
148.05188	2.0
149.05986	13.7
162.05527	1.8
165.09178	1.6
171.11797	1.0
174.05617	1.3
175.06230	1.3
176.07060	27.9
176.08551	1.3
177.07849	7.4
187.07520	1.2
189.18530	0.8
192.06548	31.9
192.10197	10.7
194.08080	6.7
197.09636	5.5
199.11140	19.2
209.09639	1.9
211.11206	1.2
214.09805	5.6
225.09192	0.8
227.10655	12.3
229.12315	1.4
243.10104	1.7
257.11716	36.9
285.11337	6.2
292.09656	3.9
320.09137	16.7
321.09891	8.1
322.10562	4.8
334.10754	1.1
336.12286	100.0
337.12634	4.6
338.12994	7.4
350.10400	1.1
374.15497	1.1
426.90070	1.2
466.18466	49.5
466.22647	21.1
494.17972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20118	2.4
52.86967	3.4
57.03438	17.9
58.06612	3.6
58.60306	3.0
61.02913	3.0
69.03429	40.7
70.06596	7.2
71.45644	3.1
73.02908	19.7
74.84206	3.0
77.53699	2.9
77.89491	3.1
81.03411	16.4
84.04488	3.6
84.40971	2.8
85.02924	39.9
86.06062	6.5
87.04470	36.4
91.03946	3.0
97.02899	65.0
98.06039	6.0
99.04458	30.8
109.02884	8.4
114.05537	7.0
115.03916	51.5
117.05467	5.1
121.06506	4.0
122.06015	4.0
124.08535	3.4
126.05424	5.0
127.03877	8.2
127.89240	3.2
133.04938	25.1
137.05974	100.0
138.58725	3.6
142.08620	4.0
144.06598	3.9
149.05946	6.7
150.07610	6.2
151.07608	3.9
152.07033	6.6
155.06984	5.7
161.05937	4.3
165.05473	13.8
166.08649	3.6
167.44316	3.0
170.08092	20.1
179.07033	21.5
188.09163	30.5
206.04462	5.3
206.10216	3.6
216.08749	7.5
216.11176	4.1
233.08269	4.1
244.08054	24.0
251.09056	14.0
277.47806	3.6
304.11633	3.7
332.13501	4.9
334.40878	3.5
408.37961	3.8
430.17096	33.5
448.18182	91.0
466.18356	23.9
466.24197	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20118	2.4
52.86967	3.4
57.03438	17.9
58.06612	3.6
58.60306	3.0
61.02913	3.0
69.03429	40.7
70.06596	7.2
71.45644	3.1
73.02908	19.7
74.84206	3.0
77.53699	2.9
77.89491	3.1
81.03411	16.4
84.04488	3.6
84.40971	2.8
85.02924	39.9
86.06062	6.5
87.04470	36.4
91.03946	3.0
97.02899	65.0
98.06039	6.0
99.04458	30.8
109.02884	8.4
114.05537	7.0
115.03916	51.5
117.05467	5.1
121.06506	4.0
122.06015	4.0
124.08535	3.4
126.05424	5.0
127.03877	8.2
127.89240	3.2
133.04938	25.1
137.05974	100.0
138.58725	3.6
142.08620	4.0
144.06598	3.9
149.05946	6.7
150.07610	6.2
151.07608	3.9
152.07033	6.6
155.06984	5.7
161.05937	4.3
165.05473	13.8
166.08649	3.6
167.44316	3.0
170.08092	20.1
179.07033	21.5
188.09163	30.5
206.04462	5.3
206.10216	3.6
216.08749	7.5
216.11176	4.1
233.08269	4.1
244.08054	24.0
251.09056	14.0
277.47806	3.6
304.11633	3.7
332.13501	4.9
334.40878	3.5
408.37961	3.8
430.17096	33.5
448.18182	91.0
466.18356	23.9
466.24197	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58500	1.4
50.98186	1.5
57.03452	15.4
57.64823	1.5
58.88362	1.8
60.04520	2.0
64.45341	1.7
69.03432	52.8
70.06612	2.2
73.02919	22.0
76.14129	1.8
81.03407	3.6
81.05767	1.7
84.52589	1.8
85.02907	48.0
86.06050	1.8
86.09724	2.1
87.04476	55.4
97.02898	68.6
99.04459	3.8
115.03931	75.2
116.07021	2.4
127.03883	4.6
133.04968	46.7
134.96236	2.1
137.05989	100.0
141.60608	1.9
145.04961	9.6
149.06004	3.2
150.07588	15.8
151.07545	14.4
155.06989	7.9
161.05981	8.8
165.05508	22.9
167.07074	3.6
175.07506	2.3
179.06978	24.6
191.07019	3.6
195.06682	2.1
197.08052	2.4
203.07053	8.5
205.08615	3.3
216.11310	12.2
221.08095	9.4
224.67442	2.2
233.08023	9.2
234.12311	4.3
251.09128	17.6
259.08173	4.6
263.09253	7.5
281.10175	3.5
287.11179	3.6
295.10275	13.7
317.12369	8.8
334.14667	3.3
363.16583	9.8
378.14587	2.2
381.17752	2.3
448.18298	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71070	0.3
65.15839	0.3
73.02872	0.4
81.07063	3.4
85.02843	0.4
92.21513	0.5
97.02821	0.6
117.00040	0.4
121.06441	1.7
145.70274	0.4
153.56799	0.4
158.40108	0.4
210.15054	0.5
219.14726	0.4
292.09622	7.9
304.09610	1.9
306.07590	3.4
320.09152	9.5
321.06110	1.0
321.09927	31.0
336.12277	100.0
350.10089	0.8
368.11069	0.6
434.19913	0.6
466.22302	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30899	0.3
52.79736	0.4
57.15608	0.3
61.89086	0.3
64.59865	0.4
65.29574	0.4
71.11779	0.4
88.42808	0.4
90.20644	0.4
95.88657	0.4
131.04977	0.4
159.98001	0.4
178.18312	0.4
272.32559	0.4
292.09726	8.3
304.09747	0.8
306.07462	3.5
320.09171	10.0
321.09943	32.5
336.12271	100.0
338.13229	0.5
390.16977	0.5
434.19522	0.7
446.21701	0.4
466.22241	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22919	0.9
63.15563	0.8
76.87366	0.7
91.24781	0.9
147.86005	1.1
174.25743	1.1
195.16093	1.1
196.07582	0.9
212.45880	1.0
294.11368	2.0
306.07761	1.0
308.09476	1.9
308.12778	13.8
320.09320	7.1
320.12686	1.4
321.09879	6.1
322.10663	8.7
323.11551	8.1
334.10745	4.7
336.12250	66.8
337.13068	34.2
338.13791	16.5
350.10226	4.6
352.15390	100.0
385.21585	1.0
386.30106	1.1
441.54501	1.3
466.15186	4.2
466.22321	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15865	0.5
74.97729	0.7
75.93578	0.6
84.31570	0.6
91.75775	0.7
95.56875	0.7
102.81842	0.8
123.80000	0.7
195.54482	0.8
201.36766	0.7
292.09647	8.2
304.09735	1.3
306.07687	3.0
308.12766	9.1
320.09152	10.3
320.12607	1.3
321.09943	25.8
322.10657	3.3
336.12289	100.0
337.13074	22.3
337.16776	1.3
352.15427	60.0
392.39893	0.9
466.22278	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71642	0.5
119.08493	0.5
119.95705	0.5
121.06442	1.0
132.08865	0.5
137.78351	0.6
174.35283	0.6
292.09695	0.6
294.11102	1.8
306.07422	0.8
308.09134	0.8
308.12756	14.6
320.09171	2.0
320.12860	3.2
321.09869	2.7
322.10693	8.8
323.11639	6.2
334.10651	2.5
336.12280	31.3
337.13086	37.7
338.13846	17.5
339.95157	0.6
350.10193	2.1
352.15417	100.0
450.19168	0.6
466.22287	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46498	0.5
72.64532	0.5
74.50545	0.4
99.24474	0.5
105.11792	0.5
121.06456	0.7
162.71632	0.5
269.56284	0.5
292.09668	8.2
304.09589	1.0
306.07666	3.4
306.10788	0.5
320.09161	10.9
321.09943	32.3
322.10538	0.7
336.12289	100.0
338.13116	0.7
448.20856	0.5
466.22226	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06534	2.7
65.91204	0.4
69.92854	0.4
73.02828	0.7
81.06977	3.5
118.85141	0.5
126.95351	0.4
135.52756	0.5
136.67627	0.4
137.13239	0.6
150.85471	0.4
198.48074	0.5
227.07045	0.6
259.09668	0.7
278.07724	0.7
292.09641	9.5
295.74982	0.6
304.09796	1.8
306.07584	3.5
320.09146	9.5
321.09961	31.9
334.10837	0.6
336.12286	100.0
338.13821	1.0
353.09088	0.8
368.11145	4.6
466.22351	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76952	0.8
51.66102	0.6
56.11705	0.8
59.82410	0.7
77.62297	0.9
80.29089	0.8
100.48290	0.8
114.45222	0.8
119.62986	0.8
119.83244	0.9
239.72594	0.9
292.09702	1.7
308.12741	15.3
319.08231	1.6
320.09073	6.3
321.09586	11.8
322.10703	9.8
334.10803	3.6
335.07599	1.4
336.12222	25.3
337.13052	40.3
350.06555	1.4
350.10434	1.8
352.15408	100.0
466.15271	7.7
466.22260	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09679	0.4
60.74246	0.5
61.20349	0.5
97.12316	0.5
106.72971	0.6
308.12756	11.9
320.09348	1.0
320.12567	3.7
321.09576	0.9
322.10629	6.8
334.10678	2.4
336.12268	20.1
337.13052	37.3
352.15411	100.0
394.31018	0.6
457.18466	0.5
457.25858	0.6
466.22290	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48334	1.9
64.17080	1.8
68.24059	1.5
70.44736	1.6
76.62054	1.4
79.30380	1.6
89.63959	1.8
99.89869	1.6
104.89894	1.8
106.82639	1.7
121.06522	2.9
135.50433	2.0
148.07545	2.7
149.06021	11.6
161.05968	2.9
176.07079	78.3
178.08669	11.3
206.08177	10.1
245.15451	2.8
252.70390	1.9
258.12601	14.6
273.14890	17.3
292.09637	1.9
294.11398	4.0
308.08862	2.0
320.09204	29.0
320.12402	2.8
321.09756	10.6
322.10544	15.8
323.11343	12.4
336.12317	30.2
337.13144	3.5
338.13870	34.3
350.10385	2.3
352.15601	6.7
466.16013	10.7
466.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15394	3.4
55.01864	6.3
56.89528	3.9
66.19734	3.9
68.46121	3.5
69.03432	8.6
69.07078	7.3
70.02457	3.9
72.04509	24.6
73.02911	7.9
81.03419	16.7
83.04943	4.3
85.02899	16.6
85.06533	10.3
90.05541	57.6
95.04961	8.5
97.02902	9.7
98.02432	17.7
99.04414	5.3
100.03938	5.2
102.17655	3.9
103.07573	4.7
107.04958	26.4
107.54072	4.4
109.02885	36.1
113.05981	4.8
116.03457	37.8
124.07590	29.4
124.77611	4.4
127.03907	25.4
132.06564	19.7
135.08046	10.1
142.08664	26.2
143.43420	4.6
145.04962	6.0
160.09734	8.0
163.07523	70.2
167.07001	88.6
172.09689	5.1
174.11234	8.1
181.04932	5.6
184.09688	66.1
195.10188	47.0
199.06047	9.3
202.10735	99.0
211.09666	7.9
211.80685	4.3
213.11177	45.8
216.08675	5.4
220.11786	25.0
262.12820	20.8
275.01544	5.4
287.14935	70.2
293.22824	4.6
303.36783	4.7
304.05286	6.2
310.12662	5.1
328.13925	93.0
346.14972	17.6
364.15991	100.0
375.25818	4.7
448.22021	5.9
466.23166	6.1
474.83374	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71324	2.2
54.40715	2.5
55.01880	4.8
55.08042	2.4
57.04314	2.3
58.31870	2.5
69.03419	5.6
69.07078	5.4
72.04525	27.0
73.02917	16.0
73.39829	2.4
73.90012	2.6
81.03420	17.5
83.04985	3.4
85.02901	13.5
85.06543	5.3
87.04473	2.6
87.08125	3.1
90.05551	40.4
95.04943	6.5
97.02885	11.3
98.02413	19.8
99.04444	10.7
100.04005	9.6
103.07584	6.0
109.02882	40.4
113.05947	3.0
116.03443	32.3
116.28706	2.8
124.07570	29.4
126.05531	2.8
127.03927	23.1
130.06508	3.9
130.46243	2.4
130.72330	2.7
131.06895	3.6
132.06557	15.7
142.08652	28.6
145.04976	3.0
146.06015	3.3
156.08081	4.5
160.09688	13.8
162.51378	2.6
166.08669	3.4
169.04926	3.2
171.06342	2.6
172.09637	6.3
174.11243	18.6
184.09692	55.8
189.07407	5.1
199.06023	5.9
202.10742	100.0
211.09695	6.4
217.06900	4.4
220.11783	12.3
229.09657	4.6
230.10114	15.8
234.09746	5.9
262.12894	17.8
310.12698	5.3
328.13876	68.5
346.14862	23.5
364.15979	73.8
426.59613	3.4
430.16382	4.2
445.30380	2.8
448.17703	12.2
466.23318	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63673	0.9
52.62503	1.0
55.01880	1.2
57.03446	13.8
58.28985	0.9
59.04988	1.3
60.72452	1.0
61.02928	2.8
65.14935	0.9
67.05511	1.7
69.03436	41.9
70.19389	1.1
71.89229	1.2
73.02927	25.7
79.05499	2.4
81.03426	2.2
81.07067	80.0
85.02434	2.1
85.02913	51.0
87.04473	36.6
95.08611	8.9
97.02897	55.5
99.04445	5.0
103.03969	1.9
109.02907	2.6
109.10191	2.5
111.11717	2.6
115.03932	56.8
116.61581	1.4
127.03941	11.2
133.04968	42.1
133.31898	1.1
137.13261	100.0
145.04990	15.0
150.07692	4.4
155.14282	16.9
163.06024	6.2
167.81372	1.2
168.85127	1.1
169.05046	2.0
189.15829	1.3
223.06102	1.7
241.07159	2.3
259.08179	7.0
277.09100	2.3
287.18777	2.0
295.10245	20.8
312.78384	1.3
317.19543	9.2
320.09012	2.2
321.09677	1.4
334.10675	4.9
336.12314	14.2
350.10315	5.1
384.04092	1.4
406.97003	1.4
466.13177	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.3
57.03440	2.0
57.88076	1.3
67.10970	1.2
69.03442	10.3
69.07065	3.0
73.02942	1.7
78.59866	1.1
79.05483	5.8
79.75412	1.3
81.07066	100.0
85.02922	12.7
87.04483	11.6
95.08605	15.2
97.02889	15.3
109.10168	1.4
115.03946	20.7
121.06530	2.0
127.03962	3.0
127.11568	1.4
133.04971	13.4
137.13263	19.2
145.04990	2.2
164.79059	1.4
188.36435	1.3
259.08188	2.2
281.69064	1.4
292.09717	4.8
294.11255	3.1
295.10196	2.3
320.09229	7.8
321.09882	13.9
322.10281	6.0
323.11621	13.0
334.10730	1.7
336.12311	57.3
338.13831	36.6
466.23096	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26770	1.6
57.03444	3.2
57.07089	2.1
57.13605	1.2
58.06595	1.4
60.88181	1.3
69.03440	6.4
69.07060	1.4
73.02917	13.8
79.05504	3.2
81.07062	100.0
85.02917	14.2
86.09706	2.7
95.08627	16.7
97.02911	13.6
115.03934	12.5
120.08040	2.0
127.03928	6.2
133.05054	1.6
137.13272	27.5
145.04956	1.9
163.06004	1.8
228.35301	1.6
253.67845	1.7
259.08200	2.3
263.50110	1.5
266.57401	1.5
292.09811	1.6
295.10254	8.0
301.10443	1.8
305.12509	1.6
308.08759	1.6
320.09103	10.0
321.09952	11.0
329.97150	1.5
334.10675	1.5
335.08002	2.2
336.12219	33.4
336.15881	1.7
350.10239	6.6
409.67480	1.4
466.14505	6.8
466.22067	10.7
466.69257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2923
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
52.17735	1.6
53.05814	1.5
53.68133	1.4
55.05511	9.7
57.03435	10.2
57.07080	13.2
58.06585	6.7
62.06062	1.5
64.36131	1.6
67.05498	11.0
67.10758	1.5
69.07076	25.9
71.08626	3.5
79.05492	2.9
81.07064	20.3
83.08608	18.7
85.06539	1.9
85.82186	1.7
93.07029	7.1
95.08611	15.3
97.06525	1.8
97.10152	8.5
107.08601	7.2
109.10162	3.7
121.10120	11.6
135.11713	3.5
149.13345	2.2
294.28018	7.0
325.27347	100.0
325.31195	3.5
466.29776	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2923
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
54.82571	0.7
55.05515	1.9
56.05035	1.5
57.03424	0.7
58.06606	100.0
60.08179	0.8
67.05502	4.5
69.07064	5.1
71.08592	0.8
76.07652	6.4
76.34394	0.8
79.05494	1.7
81.07059	4.3
83.08627	2.0
86.09710	1.9
92.43935	0.8
93.07032	1.1
95.08598	3.2
97.10154	1.8
97.93594	0.8
98.98455	0.9
102.24229	0.8
107.08598	1.7
111.11703	1.0
121.10134	1.5
125.00019	1.8
131.67931	0.8
135.11710	1.9
148.13745	0.8
184.07353	19.7
185.07672	4.6
304.81784	0.9
311.25797	28.4
448.28183	8.7
466.18982	1.1
466.29492	19.8
473.48032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	4.2
57.03445	4.6
57.07073	3.5
61.40428	2.5
62.06102	27.3
67.05513	14.0
69.06736	3.1
69.07066	24.2
79.05501	4.6
81.07054	17.5
83.08623	20.1
88.35527	3.2
93.07050	4.6
95.08620	14.0
97.06548	4.4
97.10188	5.6
98.98475	6.1
99.08076	3.4
99.55688	3.3
109.10161	6.4
112.30007	3.3
120.54722	2.8
121.10153	10.9
135.11694	5.3
149.13263	3.6
155.01030	4.8
193.45239	2.9
294.27982	15.1
325.27405	100.0
405.23605	6.1
448.28033	17.6
466.29199	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15560	0.8
52.43641	0.9
53.03991	0.7
55.05521	7.3
55.37567	0.9
57.03444	2.3
57.07082	4.7
62.06101	27.7
67.05518	9.6
69.07076	18.7
71.08633	2.4
79.05500	4.6
81.07063	14.3
83.08612	16.6
85.10185	1.4
93.07031	10.0
95.08609	16.1
95.14155	1.0
97.06512	1.2
97.10183	11.2
98.98469	6.4
99.08053	1.2
107.08590	5.0
109.10162	5.8
111.08085	2.5
111.11711	1.9
114.80045	1.0
121.10143	7.1
123.11715	1.1
125.09599	1.3
135.11703	6.2
149.13216	1.8
155.01080	5.0
159.13130	0.9
161.13164	1.0
163.14778	1.3
173.02107	1.5
174.12665	1.3
176.49611	1.0
216.06377	1.5
233.22726	1.2
251.23567	4.0
294.27890	12.8
325.27368	100.0
405.24121	7.9
425.43414	1.3
448.28156	20.7
466.29117	21.0
466.34052	2.1
466.39999	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2929
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
55.05518	5.3
57.07070	2.4
62.06103	27.6
66.22376	2.7
67.05502	13.5
69.07069	13.1
70.66157	2.7
71.11154	2.7
76.70654	3.0
81.07069	12.8
83.08615	18.5
88.55347	2.8
93.07033	4.2
95.08610	13.7
96.40437	3.1
97.10197	11.0
98.98475	5.5
99.08081	2.9
107.08576	3.8
121.10150	7.3
135.11716	5.5
149.13171	4.1
152.82603	3.2
155.00987	3.2
251.23714	3.4
294.27832	12.9
325.27359	100.0
363.90164	3.7
405.23834	5.5
448.28134	31.0
466.29941	26.0
470.04819	3.2
475.60474	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2948
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
50.68308	1.5
55.05529	1.5
57.52311	1.4
59.50247	1.3
65.32131	1.7
67.05506	6.3
69.07066	2.8
79.05498	3.8
81.07052	9.4
83.08609	1.5
91.05473	48.6
93.07049	9.3
95.08607	7.8
105.07030	10.9
107.08584	12.3
109.06517	1.7
109.10159	3.6
117.07009	2.7
119.08546	12.3
120.08109	15.9
121.06527	2.7
121.10135	8.0
129.07018	3.0
131.08559	8.3
133.10109	6.5
135.11674	2.6
137.09651	2.1
141.06921	1.7
143.08467	1.8
144.08192	2.0
145.10141	9.4
147.11658	3.9
155.08444	1.8
157.10120	3.1
159.11630	5.6
161.13249	4.0
171.11600	2.4
172.07588	32.4
173.13248	3.0
174.09132	2.3
175.14774	3.0
181.10133	2.0
183.11751	1.9
184.07561	8.9
185.13266	8.5
186.09131	21.3
187.11235	2.1
198.09081	12.3
200.10782	1.8
201.11401	2.3
202.12218	2.2
203.14268	3.2
210.09099	2.8
212.10704	3.4
221.13208	1.6
224.10732	2.3
226.12296	2.1
228.13721	1.8
231.00140	2.0
238.12212	3.2
240.13904	1.8
252.13832	2.6
254.15489	3.9
264.13821	2.5
266.15457	2.9
278.15259	2.3
292.16772	2.5
348.23361	2.1
366.24265	2.9
376.22592	10.0
377.07843	1.9
394.23755	21.0
430.27466	13.6
448.28448	100.0
466.29544	43.6
483.98431	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07782	0.9
51.81735	0.9
71.11404	1.0
94.19349	1.1
119.01927	9.1
127.02435	1.7
137.02942	2.0
145.03494	5.6
149.01241	2.0
161.02904	2.2
169.03455	33.0
171.04974	5.2
185.02972	13.0
187.04506	53.5
195.04974	7.0
197.02953	6.8
203.03999	2.4
205.05591	5.2
211.04497	1.6
213.06073	6.9
215.02284	1.4
215.04039	14.4
221.03169	3.4
223.04561	2.6
229.05547	29.5
231.03537	2.0
235.04723	1.3
241.05554	1.8
247.06628	19.9
255.07111	2.1
257.05038	6.8
265.05585	2.3
275.06110	100.0
283.06552	6.0
293.07330	19.2
301.07611	32.3
303.05637	13.1
311.06204	2.6
321.06705	2.1
329.07187	11.9
335.83978	1.2
347.08209	6.5
371.07785	5.5
389.09283	8.7
407.10312	29.2
425.11356	21.6
467.12604	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.125
Annotation	Unknow
Peak:m/z	Relative Intensity
90.90221	21.2
91.40208	23.4
151.69017	23.1
187.04536	29.8
227.60930	26.0
229.05573	37.4
233.84816	32.4
275.06125	100.0
293.07190	32.4
299.25409	26.3
306.88394	26.2
407.10211	54.3
467.13354	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94045	0.8
51.46729	0.7
53.03926	1.0
56.12840	0.8
58.71590	1.0
59.12218	0.8
69.03411	1.5
70.18287	0.9
80.22890	0.9
81.03406	4.2
81.95653	0.8
89.08767	0.9
91.05458	7.9
97.02875	1.0
99.04460	15.2
109.02846	1.1
119.04939	28.0
121.06476	1.1
147.04411	34.6
157.03989	2.1
161.05989	1.5
175.03883	76.0
179.06947	1.1
189.05409	1.1
193.08606	1.4
207.06512	100.0
221.08044	1.2
231.06500	4.2
295.08029	1.1
319.08456	1.3
335.07657	1.0
336.08145	1.5
337.12457	1.4
351.10526	10.0
379.34952	1.1
467.15036	7.7
467.22018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25410	0.4
59.68348	0.3
75.34673	0.4
90.28004	0.5
99.04456	0.6
116.42385	0.4
119.04917	1.5
144.08531	0.5
147.04407	2.8
168.78040	0.4
175.03893	6.2
207.06511	8.7
292.40985	0.5
307.08450	0.6
309.12817	0.6
320.09143	0.6
321.09625	0.8
322.10278	2.2
323.11578	0.9
326.10474	0.5
334.10910	0.6
336.12396	2.2
337.12665	6.1
338.13422	1.9
352.15439	0.8
353.15750	4.3
406.13345	0.8
422.12744	2.1
423.13336	8.1
437.11380	0.8
451.12891	48.3
452.13580	7.7
467.16113	100.0
467.22461	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1963
Annotation	Asterriquinone C-1
Peak:m/z	Relative Intensity
51.79803	0.8
53.68715	0.6
55.67123	0.6
133.20773	0.9
145.82446	0.7
153.83220	0.7
160.04874	0.8
217.83186	0.8
258.63437	0.7
292.09650	1.4
304.06754	0.9
306.11243	10.2
318.11331	3.5
320.09152	15.5
321.09860	1.0
322.10504	2.7
334.10641	12.6
335.11554	19.8
337.12897	1.0
350.13873	37.4
380.02087	1.0
423.17123	16.2
435.16965	4.1
437.14828	11.4
438.16016	1.0
451.16577	24.8
452.17371	14.9
467.19656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36907	0.5
53.03965	0.6
53.12239	0.5
57.03431	1.4
61.02927	1.4
65.47874	0.6
67.08770	0.5
67.40726	0.6
68.05035	1.2
69.03429	11.9
70.02946	1.2
71.04975	0.8
71.77782	0.6
73.02921	2.6
73.76097	0.7
74.37749	0.6
76.29585	0.7
80.42056	0.7
81.03415	4.2
84.08112	0.7
85.02913	21.9
87.04472	6.0
87.35599	0.6
91.03951	1.1
97.02907	6.9
97.23862	0.7
99.04478	1.5
104.93317	0.7
107.42747	0.6
109.02863	4.0
123.04414	0.9
127.03926	5.1
149.05995	7.5
154.94125	0.8
155.08565	0.9
161.06023	1.6
169.06483	0.7
173.05936	5.2
175.07480	4.7
179.08560	1.0
181.06461	1.1
185.06026	1.4
187.07581	3.9
188.08328	3.2
189.39854	0.7
195.08026	1.1
197.09538	1.4
199.07553	2.5
201.09079	5.1
207.07986	2.8
211.07602	3.1
213.09210	2.8
214.09996	10.2
215.07236	0.7
215.10695	11.6
225.09079	5.5
226.08832	0.9
228.10144	2.7
229.08556	2.7
242.11803	1.2
243.10170	5.5
252.10051	1.0
253.10912	1.1
261.11130	0.8
270.11273	5.2
278.13742	5.5
287.14102	1.1
288.12354	1.2
295.82156	0.7
305.14871	6.4
305.99231	0.7
417.27228	0.8
467.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97946	0.6
53.00307	0.7
53.07572	0.6
55.05530	4.8
55.64551	0.5
56.65521	0.7
57.03207	0.9
57.03447	9.8
57.07085	35.9
59.04984	0.7
67.05514	9.1
69.07076	8.2
71.08635	31.8
73.16862	0.7
81.07065	14.7
81.75716	0.7
83.08638	10.1
85.10189	19.4
95.08607	20.5
95.96791	0.7
97.10177	5.5
98.98472	34.0
109.10167	7.8
111.11716	0.8
123.11734	4.2
136.99998	4.6
137.13351	0.8
137.21912	0.7
155.01044	55.9
223.12422	0.9
229.04767	2.6
239.23729	3.7
313.27371	100.0
320.09137	1.1
336.12512	0.8
384.10498	0.9
393.23996	5.9
449.26663	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
57.03441	11.8
57.07079	38.1
67.05509	9.3
68.93202	0.7
69.07066	6.9
71.08627	31.3
73.99152	0.7
79.05537	1.0
81.07051	13.6
83.08616	8.6
85.10175	17.5
92.20924	1.3
95.08603	19.8
97.10174	6.5
98.98462	35.7
101.06040	0.8
109.10157	10.2
111.59267	0.9
123.11671	1.7
125.28960	1.0
136.99986	5.1
155.01031	57.3
211.03557	1.0
229.04663	2.1
239.23636	4.1
245.29875	1.1
313.27350	100.0
393.23874	5.8
449.26624	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73831	1.5
55.05524	3.5
57.03443	10.8
57.07084	42.3
67.05503	9.7
69.07075	7.6
71.08638	35.4
73.86949	1.4
81.07061	17.5
83.08635	14.2
85.10188	21.1
95.08607	28.1
97.10178	3.7
98.98467	46.7
102.68573	1.4
107.08607	1.9
109.10181	12.2
119.36488	1.6
123.11707	5.8
135.11699	1.5
136.99986	7.6
155.01044	69.1
178.11931	1.6
182.15512	1.9
234.11057	1.5
235.35037	1.8
239.23709	3.1
280.56070	1.7
292.09723	1.7
313.27362	100.0
320.09082	2.6
393.23914	2.9
449.26575	34.6
467.30304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
55.72834	1.0
57.03448	11.4
57.06826	1.9
57.07087	44.4
57.34851	1.3
59.63942	1.0
67.05504	10.9
69.07068	7.8
71.08286	1.6
71.08640	32.5
71.09015	2.7
79.05493	1.6
81.07062	18.0
83.08626	9.2
85.10180	21.1
91.05478	1.5
93.07021	1.8
95.08611	26.9
97.10175	6.0
98.98471	43.5
105.07028	1.7
109.10148	12.7
116.99427	1.3
123.11716	6.0
125.09665	1.4
136.99977	2.8
155.01045	63.2
159.11653	1.8
174.48853	1.4
257.24899	1.7
300.07498	1.5
313.27365	100.0
323.11581	1.5
324.11606	2.0
336.12091	1.6
338.13831	7.2
339.14191	9.7
340.14398	5.5
351.18448	2.6
393.23975	8.6
449.26697	32.3
467.31580	2.4
467.37177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.1
57.03436	10.8
57.06821	2.5
57.07083	45.7
65.46327	1.4
67.05503	11.8
67.29147	1.6
69.07072	12.0
71.08637	32.0
76.73589	1.7
81.07058	20.0
83.04984	1.9
83.08604	12.1
85.10173	18.8
93.07028	2.8
95.08615	28.0
97.10169	8.1
98.98464	37.3
107.08582	2.3
109.10153	12.7
119.08630	2.1
121.10176	2.3
123.11646	6.6
136.99998	2.8
155.01036	59.2
295.89804	1.7
312.29077	1.6
313.27368	100.0
393.23911	6.6
449.26627	27.0
449.32251	3.3
467.34528	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2792
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
52.87840	2.4
55.05505	5.5
56.29485	2.5
57.07084	6.9
63.83463	2.4
67.05509	28.5
69.07061	3.8
79.05498	3.7
79.52011	3.1
81.03409	7.5
81.07059	15.0
91.05464	12.8
92.21459	3.5
93.34814	3.2
95.04940	5.8
95.08603	18.1
99.04452	22.6
105.07030	7.3
107.04978	4.9
107.08564	4.7
109.10154	29.2
117.07084	4.1
119.62653	3.1
131.08574	6.7
133.10062	3.4
143.08559	4.9
144.59665	3.1
145.06459	3.3
147.19800	3.5
155.08562	3.5
157.10077	5.7
157.47699	3.5
169.10153	4.6
183.08026	3.8
185.09595	5.8
187.11206	3.7
195.11646	5.3
197.09593	3.8
199.11197	3.9
211.11110	3.9
213.12762	4.9
225.12810	4.2
260.22324	3.4
341.24060	4.0
351.23105	21.5
369.24216	16.6
467.27966	100.0
467.37646	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.2
55.05517	10.3
56.81156	2.2
57.07092	18.6
67.05508	51.2
69.07063	11.3
71.08629	14.2
73.63089	2.3
79.05480	3.9
81.03415	18.2
81.07082	20.4
83.08611	12.0
85.10168	3.2
91.05482	21.0
93.07034	12.6
95.04959	6.3
95.08598	21.2
99.04465	21.7
105.07059	5.4
107.08592	5.7
109.10149	38.2
117.06989	3.8
119.08617	9.9
121.10138	4.1
129.06967	5.9
131.08467	4.8
133.10136	54.8
143.08595	5.9
145.06506	3.2
145.10138	4.7
147.08009	4.3
155.08528	5.3
157.10136	9.9
159.08202	3.7
159.11656	4.6
169.10046	5.5
171.07903	8.2
171.11703	5.7
181.10100	4.7
183.11754	10.2
185.09641	4.1
185.13298	4.7
187.11171	4.4
195.11743	4.0
197.09576	4.1
197.13181	4.9
209.13364	3.1
211.11168	3.2
213.12912	4.4
225.12764	4.1
323.23532	2.7
351.23163	19.8
369.24179	21.0
467.27786	100.0
467.37115	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35677	1.1
55.05508	2.7
57.07086	10.8
58.21531	0.9
67.05511	29.0
69.07059	2.5
71.08627	7.1
81.07066	12.7
83.08630	4.9
85.10175	1.7
91.05486	2.0
93.07072	1.4
95.08601	11.9
95.11507	1.1
97.10184	1.5
107.08605	1.5
109.10155	26.7
112.62145	1.3
119.08553	1.9
123.11716	1.2
130.06531	7.0
132.08095	5.9
133.10184	1.9
144.08093	6.5
146.05998	30.3
147.02908	1.3
159.09164	43.2
170.06050	2.9
173.11766	2.5
188.07054	100.0
205.09723	28.9
337.15228	1.4
421.32156	4.5
441.28445	1.2
449.31894	1.6
466.43390	1.3
467.32266	11.2
467.37842	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21967	1.4
55.05515	3.1
57.07087	2.8
67.05505	8.5
69.07065	8.0
71.08626	1.5
79.05503	3.4
81.07054	9.5
83.08624	5.7
85.10188	1.6
86.06017	1.5
93.07065	1.4
95.08585	11.4
97.10172	8.5
105.06984	2.4
107.08601	15.3
109.10155	9.9
117.56114	1.6
117.92255	1.4
121.10136	2.4
123.11669	3.1
124.11242	3.3
125.09636	16.6
128.76123	1.9
135.08049	12.3
135.11690	2.1
142.12260	12.1
143.07991	1.4
147.11705	2.1
152.10657	2.0
153.09166	12.6
161.13205	1.5
170.11743	100.0
179.14355	1.5
188.12799	32.6
263.23840	1.6
280.26385	7.2
308.09982	1.7
411.17975	1.6
421.23734	1.8
467.37347	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.7
57.07079	2.0
60.26192	0.9
64.98726	1.1
67.05517	9.7
68.25012	1.0
69.07066	2.8
71.08624	2.0
79.05508	4.8
81.07050	7.2
83.08623	10.8
93.07039	4.6
95.08588	9.0
95.48720	1.1
95.80302	1.0
97.10168	11.7
100.07656	1.3
105.07037	1.3
107.08576	15.4
109.10190	8.8
121.10169	1.3
124.11218	6.6
125.09610	14.0
133.10164	1.3
135.08035	9.8
135.11647	1.2
142.12299	10.5
152.10712	2.6
153.09096	12.5
170.11752	100.0
188.12808	29.4
195.10071	1.1
263.23508	1.3
265.96143	1.3
280.26358	10.0
361.36090	1.4
467.37164	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
85.03003	0.4
87.04525	0.5
92.01888	0.4
104.35171	0.4
107.66035	0.4
172.04041	1.1
190.04990	17.2
214.88727	0.5
218.04617	2.2
235.06413	0.9
262.08661	0.6
263.05801	2.2
264.06689	2.4
274.04965	0.5
276.06628	0.6
277.07434	0.8
278.08304	0.5
290.07962	3.7
292.06094	6.1
292.09409	1.0
293.06854	3.2
303.05237	3.9
304.06012	1.0
305.06882	0.8
306.07962	1.0
308.05597	2.6
318.07578	7.5
319.08481	1.7
320.05539	10.6
320.09207	6.4
321.06393	2.3
331.04745	2.2
334.10846	2.3
336.08740	0.7
336.12335	0.6
346.07074	4.7
348.05136	3.6
349.05795	13.4
350.06693	0.5
364.08139	100.0
452.15305	0.6
468.12674	27.8
468.17456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
100.12451	0.5
111.78817	0.6
113.80809	0.5
125.99689	0.6
138.20607	0.5
174.05554	0.5
175.03873	0.7
176.07054	6.5
177.07356	0.5
290.08115	1.0
304.06274	0.7
306.07602	1.2
318.07608	2.5
319.08426	4.7
320.09180	2.4
334.07184	1.0
334.10773	11.4
336.12247	0.7
338.13974	2.4
410.10104	4.7
422.10291	1.0
423.11209	2.8
424.11786	29.3
436.11792	12.3
438.09708	35.7
440.01498	0.5
445.51248	0.6
452.05890	1.0
452.11267	68.6
453.11978	13.4
468.14606	100.0
482.30811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
100.12451	0.5
111.78817	0.6
113.80809	0.5
125.99689	0.6
138.20607	0.5
174.05554	0.5
175.03873	0.7
176.07054	6.5
177.07356	0.5
290.08115	1.0
304.06274	0.7
306.07602	1.2
318.07608	2.5
319.08426	4.7
320.09180	2.4
334.07184	1.0
334.10773	11.4
336.12247	0.7
338.13974	2.4
410.10104	4.7
422.10291	1.0
423.11209	2.8
424.11786	29.3
436.11792	12.3
438.09708	35.7
440.01498	0.5
445.51248	0.6
452.05890	1.0
452.11267	68.6
453.11978	13.4
468.14606	100.0
482.30811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93388	0.3
55.37766	0.3
64.64930	0.4
84.79784	0.4
96.04504	0.4
100.25097	0.3
140.82793	0.4
150.15549	0.4
161.17615	0.4
210.36642	0.4
231.33981	0.4
292.09644	0.7
293.09851	0.4
294.11288	3.0
306.07645	0.8
307.08435	5.5
307.11734	1.0
308.09152	3.0
308.12738	21.0
320.09445	0.7
320.12643	3.9
321.09885	0.9
322.07257	1.0
322.10675	14.0
323.11420	7.8
334.10828	0.6
336.09024	1.3
336.12286	29.2
337.09525	2.5
337.13043	46.7
338.13757	16.1
352.11832	5.2
352.15427	100.0
355.26321	0.4
468.16663	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45187	0.3
57.07082	2.2
60.04532	0.5
66.64643	0.4
67.05502	0.5
69.07078	0.4
71.08632	1.1
72.08149	2.8
79.05472	1.7
81.07053	4.4
85.10201	0.5
85.70541	0.5
89.06039	4.8
104.10773	0.6
106.42822	0.5
109.06532	0.8
115.95097	0.5
133.08673	0.7
174.05457	0.8
183.27499	0.5
296.73865	0.6
299.25903	0.7
314.27640	1.0
315.08981	0.7
316.27576	0.5
327.08844	2.9
343.08203	1.6
344.09262	1.9
345.10056	4.1
357.10135	0.6
359.07828	2.5
359.11600	2.1
360.12378	1.1
362.73166	0.5
372.08575	1.0
377.08987	2.5
386.10214	2.8
391.10300	1.1
410.10181	3.9
410.14047	3.0
412.11725	0.5
424.10974	2.6
424.16168	13.3
436.15387	7.4
438.13382	25.1
451.36407	3.4
452.14917	36.5
453.15714	6.4
468.18054	100.0
480.39206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35316	1.6
55.01884	45.7
56.05042	3.9
57.54670	1.6
58.06605	8.2
62.06104	12.3
65.07616	1.6
67.41930	1.6
69.03429	2.0
71.05010	1.9
72.04527	3.4
74.06090	36.2
81.03434	11.2
81.07076	3.5
83.05006	3.0
85.02927	10.8
86.06075	40.7
97.02915	4.6
98.06074	9.4
99.04460	29.9
102.05611	2.0
104.07139	4.2
108.04485	3.2
109.02923	6.8
110.06062	2.5
114.40621	1.8
119.83375	1.8
121.06535	12.2
122.06070	10.0
124.07649	10.0
125.06011	9.5
126.05554	12.5
127.03980	3.6
128.07114	4.2
132.06551	7.2
136.07687	2.3
140.07095	10.0
142.08661	4.1
147.04427	57.0
152.07063	46.7
153.05530	11.2
157.04956	26.6
169.54465	2.0
170.08124	42.0
170.09328	2.4
171.06468	3.0
173.06050	3.5
177.34914	1.7
188.09187	18.9
191.07050	29.0
206.10335	3.0
210.07736	3.7
226.30396	2.3
245.08214	3.4
289.59949	2.0
306.20709	3.0
336.16602	3.4
347.11676	2.8
375.77753	2.1
432.16449	40.1
450.17664	75.9
468.18851	100.0
468.25436	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59484	1.0
55.01641	2.0
55.01883	38.6
56.05043	1.8
58.06610	1.5
62.06100	5.0
66.10117	1.0
70.02964	2.6
72.04525	7.2
74.06085	11.5
80.05042	1.4
81.03419	8.6
85.02909	5.1
86.06065	21.6
95.04996	2.0
97.02883	2.6
98.06064	2.9
99.04464	25.1
100.07598	6.3
100.15391	1.1
104.07121	4.0
108.04469	2.0
109.02884	5.0
109.05230	1.9
110.06034	1.3
114.05544	1.3
116.07121	1.8
119.63142	1.2
121.06475	2.1
122.06038	44.6
122.06898	2.4
124.07575	12.2
125.04753	2.8
126.05556	2.2
128.07083	14.9
129.10245	1.4
140.07059	4.2
142.08658	5.3
147.04417	81.5
152.07069	73.6
157.04968	5.2
165.05505	1.3
170.08122	26.4
173.06004	6.4
188.09195	9.8
191.07030	22.6
199.81313	1.1
207.06552	4.2
245.08136	10.4
414.15738	1.8
416.10406	1.3
432.16528	28.1
450.11209	1.9
450.17593	77.2
468.18729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57775	0.3
58.89768	0.3
61.22161	0.3
61.55423	0.3
75.53898	0.3
75.79676	0.3
81.07072	0.5
91.05468	0.8
92.21535	0.4
95.68762	0.3
104.02588	0.3
118.06523	1.8
119.04961	0.7
121.55653	0.4
132.04454	2.6
134.06046	0.9
135.04420	0.5
136.05186	3.0
136.07475	0.4
137.05933	0.4
146.05989	0.8
148.05196	5.7
149.05984	21.1
162.05469	3.0
163.06276	0.8
164.07021	0.6
165.05443	1.4
174.05534	1.9
175.06296	3.7
175.07584	0.4
176.07071	41.7
177.07845	11.0
185.09601	0.4
188.08377	0.4
189.09138	0.4
192.06552	48.1
194.08131	11.6
199.11180	0.4
200.11984	4.0
201.09157	3.2
202.09879	3.2
203.10738	2.0
214.09846	0.7
215.10747	0.4
216.11443	26.9
217.12239	2.4
219.88460	0.4
227.10629	0.7
229.12244	12.6
231.13782	14.2
233.96153	0.4
241.12267	1.7
244.10922	1.4
247.09831	0.4
247.13261	0.5
257.11932	0.5
259.13290	27.0
260.10434	2.2
268.79639	0.4
269.11731	0.7
275.12747	2.0
276.13565	0.4
287.12781	4.6
292.09769	0.7
320.09146	1.5
321.09897	2.0
336.12314	4.1
337.13049	1.4
338.13132	1.8
352.15424	2.3
354.16278	0.5
390.17154	0.6
420.22324	0.4
450.19183	1.6
468.20142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01712	0.3
76.40654	0.3
90.33608	0.3
166.06200	0.4
181.08521	2.2
240.00856	0.3
294.11096	0.5
307.08295	0.4
308.09760	0.6
308.12796	16.1
319.08508	1.9
320.12744	2.4
322.10703	7.0
323.11377	0.5
334.10687	3.8
336.12311	20.6
337.13089	33.1
338.14017	0.5
352.15439	100.0
468.13339	1.8
468.20264	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79871	1.3
52.99007	1.5
70.11500	1.4
75.25981	1.5
79.36861	1.6
85.96946	1.5
91.05495	1.5
113.57389	1.4
121.06523	1.9
128.08556	1.5
135.14833	1.6
136.05142	2.8
148.05116	8.9
149.05980	19.3
174.05470	1.8
175.06229	2.0
176.07054	51.6
177.07809	13.2
192.04962	2.4
192.06549	54.3
194.08151	14.2
200.11829	2.7
216.11423	26.5
229.12320	12.3
231.13820	14.0
259.13315	27.8
269.62454	1.8
279.98062	1.6
287.12622	2.4
294.11081	2.0
322.10275	2.3
323.11194	9.1
336.12036	7.6
337.12802	5.7
338.13745	26.3
352.15384	14.0
468.19803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62224	1.4
50.63678	1.7
94.04749	1.9
100.46743	1.7
136.05223	2.2
148.05237	3.9
149.05989	24.9
176.07066	50.6
177.07831	14.5
192.06544	57.0
194.08096	12.6
200.11966	3.4
201.09094	2.4
216.11435	26.7
217.12190	2.0
229.12169	17.0
231.13771	13.0
252.09462	1.8
259.13272	27.7
287.12875	4.2
289.17392	1.8
294.11093	4.2
308.12662	3.1
318.07620	3.6
321.09933	2.7
322.10699	8.9
323.11435	16.0
336.12265	11.8
337.12823	2.4
338.13837	53.5
352.15390	15.7
384.67404	2.2
468.19565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81367	2.5
57.07081	6.6
58.53717	2.7
67.05504	14.2
69.03425	6.5
69.07058	13.8
71.08624	6.8
74.75317	2.6
81.07050	13.8
84.88374	2.6
85.10161	3.2
88.39979	2.8
95.08618	13.8
97.06506	6.8
97.10165	4.4
107.08597	11.4
109.10168	4.2
121.10127	4.6
123.08099	4.6
125.09631	4.6
133.10049	4.1
135.08034	5.2
149.50655	2.9
170.11758	33.6
171.12088	6.6
175.34306	3.4
188.12828	14.1
198.06754	3.4
211.07690	3.2
251.10512	3.3
253.12221	60.5
281.11624	24.7
293.11954	5.7
293.15164	4.2
299.12762	7.0
307.13303	3.5
307.16837	4.9
321.14783	17.2
321.18536	11.3
327.29080	7.1
331.07095	3.1
331.16968	5.0
337.17969	15.9
349.18027	100.0
349.22253	3.7
365.17447	4.5
367.18985	12.2
377.17474	97.3
395.18542	61.4
406.97397	4.4
433.23969	11.9
450.33914	4.2
451.24747	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67979	3.5
57.07072	25.9
60.59768	4.0
62.06105	4.9
66.78866	4.2
67.05507	7.6
69.03426	26.9
69.07047	5.3
69.25490	4.5
71.08636	10.7
75.04605	4.3
76.55000	4.3
81.07103	7.1
83.08624	9.7
85.07651	20.6
85.10180	5.9
95.08609	10.8
97.10184	8.1
107.08607	59.0
109.10150	9.0
110.20692	4.5
121.10162	5.6
123.08048	4.7
125.09628	100.0
127.09233	5.2
128.40367	4.8
158.74516	5.1
161.06026	8.1
163.06923	5.0
225.09109	7.5
255.10054	5.8
265.12216	7.9
267.13837	24.6
293.11646	9.2
295.13052	5.8
313.14261	29.1
318.47641	5.5
321.18610	6.2
327.28873	44.3
349.17987	11.6
395.18497	26.8
415.52621	5.9
433.23691	8.5
451.24573	41.3
468.27548	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.3
56.05040	7.5
57.07080	0.9
67.05513	1.0
69.07075	5.6
71.08652	0.7
74.06080	100.0
75.04479	1.5
79.46303	0.6
81.07061	1.7
83.08616	4.2
86.06059	0.8
86.09726	1.4
92.07122	4.8
95.08608	1.3
97.10176	2.9
98.98474	1.6
102.53803	0.7
104.10764	4.7
125.00000	1.0
127.51017	0.7
154.51532	0.6
159.61592	0.6
172.03709	5.2
184.07278	5.6
205.60841	0.8
227.51640	0.8
238.74698	0.8
316.95291	0.7
320.09125	1.4
321.09494	1.0
451.78085	0.9
453.08032	0.9
468.30850	47.5
468.37762	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96900	3.9
52.93715	3.7
55.05523	5.2
57.03456	5.2
57.07076	31.2
57.29711	3.9
60.11645	3.9
62.06090	22.5
65.47298	4.3
67.05494	19.7
69.07049	9.9
71.08624	29.4
81.07056	22.7
83.08625	7.0
85.10175	11.2
92.20901	6.5
95.08607	23.0
96.38700	4.7
97.10155	7.4
109.10140	19.5
112.80873	4.6
296.29523	8.8
327.28906	100.0
450.29901	9.9
468.30731	26.9
468.37555	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3083
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
50.87701	0.7
56.05033	1.9
57.03460	0.8
57.07081	7.9
58.06609	100.0
63.13040	0.7
64.35136	0.8
67.05478	1.8
67.17682	0.7
69.07076	1.1
71.08632	5.0
72.08150	0.8
76.07637	5.2
81.07054	1.5
81.70258	0.8
83.08604	1.4
85.10183	3.4
93.07069	0.9
95.08614	3.4
97.10133	0.9
98.72742	1.0
98.98500	0.9
109.10096	1.1
109.20020	0.8
111.47339	1.1
313.27368	27.7
327.28995	3.7
342.17139	1.0
450.29599	8.4
459.21429	1.0
468.31058	19.0
468.37863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3084
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
53.00335	0.8
53.64103	0.8
55.05524	1.6
57.03447	8.4
57.07084	29.2
58.06611	15.3
67.05508	3.6
69.07063	5.2
69.20055	0.7
71.08637	23.9
81.07067	9.5
83.08627	9.3
85.10190	15.1
85.10679	1.2
89.06038	1.6
95.08617	13.4
97.10175	4.1
100.98033	0.7
103.07565	0.8
109.10177	6.7
123.11684	1.4
124.60716	0.7
137.13260	1.1
156.04218	4.0
184.30292	0.7
257.24792	1.1
313.27365	100.0
407.49820	0.8
450.29138	1.0
468.30792	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
51.94348	3.9
57.07079	25.4
62.06092	25.2
63.93287	3.6
64.06724	4.3
67.05505	7.7
69.07070	4.9
71.08628	23.9
80.39505	4.6
81.07048	7.0
83.08634	5.1
85.07637	4.8
85.10185	10.1
95.08629	9.7
98.98475	4.4
109.10162	10.2
124.28286	5.5
133.08611	6.1
137.21962	4.8
147.28731	5.2
155.01056	6.8
170.11801	9.0
171.12115	5.9
223.64842	4.5
290.95615	4.6
296.29578	7.5
327.28958	100.0
407.25452	7.0
450.29849	25.1
468.30862	22.5
468.37637	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	0.3
60.08173	4.4
63.52673	0.2
67.05511	0.4
68.77376	0.3
69.07069	0.3
70.81872	0.2
71.07380	0.4
71.08624	0.6
81.07079	1.0
85.10187	0.5
86.06038	0.3
86.09706	18.9
95.08592	0.3
95.67497	0.3
104.10749	2.5
112.34510	0.3
119.56452	0.3
125.00001	10.8
175.11172	0.3
179.37650	0.3
184.07333	100.0
263.33865	0.3
285.24088	0.4
310.52454	0.3
320.09158	0.3
342.13290	1.5
450.29361	0.6
468.20084	1.3
468.30844	13.1
468.37231	0.7
473.94925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	41.0
57.03436	5.9
57.07077	34.4
58.07433	4.6
60.04532	8.9
67.05515	36.9
69.07055	49.0
71.08632	9.9
72.08154	8.6
76.75880	4.7
79.05494	10.9
81.07067	75.0
83.08607	37.0
85.10203	13.3
93.07024	22.4
95.08610	69.6
96.08952	6.1
97.06567	6.6
97.10168	46.5
98.98459	31.2
100.07635	8.2
107.08578	13.3
109.10152	44.8
111.08095	6.1
121.10164	10.9
123.11761	8.0
125.09623	21.4
133.10109	9.6
135.11644	6.3
147.11697	7.6
155.01042	36.5
245.22580	8.5
263.23697	32.3
280.26334	48.0
298.27209	7.4
313.27356	9.2
314.27744	62.8
320.09125	6.3
335.44745	6.2
450.26901	22.1
468.37070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08080	2.7
55.01854	2.6
55.05507	13.5
57.07068	4.6
60.14252	2.6
62.59717	2.7
67.05500	23.4
69.07078	26.9
71.08620	11.6
79.05476	2.7
81.07052	45.3
83.08623	27.5
85.10169	2.4
88.96365	2.5
91.05461	4.2
91.43359	2.5
93.07042	15.0
95.08601	37.8
95.53475	2.8
97.10183	27.4
100.07631	4.3
100.71613	3.4
105.07020	5.6
107.08621	3.6
109.10163	29.1
111.11718	4.4
114.09161	4.7
119.08575	13.1
121.10149	6.8
123.11685	12.9
125.09631	4.5
133.10129	11.5
135.07014	2.8
135.11707	10.8
147.11708	11.1
161.13203	3.4
175.14751	3.9
189.78716	3.1
199.20888	2.8
212.23564	3.3
245.22635	15.4
263.23651	27.5
280.26349	42.9
298.27499	6.2
299.25684	2.9
359.57513	3.1
468.36874	100.0
468.42670	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29765	2.4
51.25933	2.9
54.07651	2.7
55.05516	27.9
55.25777	2.6
57.07090	21.7
67.05515	39.5
69.07076	39.9
71.08621	7.5
73.23153	2.6
77.35995	2.6
79.05523	11.2
81.07070	65.3
83.08625	44.6
85.10190	6.1
86.06050	5.2
91.05479	5.4
93.07058	23.7
95.08607	63.3
97.06512	4.9
97.10168	48.2
98.26314	3.5
105.07047	5.4
107.08548	21.8
109.10165	45.8
111.11720	4.6
114.09225	11.8
119.08614	16.3
121.10138	18.5
123.11718	22.1
125.09637	23.9
127.62955	3.0
128.10756	3.2
133.10127	24.4
135.11714	5.4
137.09668	4.4
137.13248	4.7
147.11696	13.1
149.13231	4.9
151.14813	4.6
156.54166	3.1
161.13217	14.1
165.16270	3.1
175.14766	4.0
238.86894	3.5
245.22617	24.3
263.23752	39.4
275.63651	3.7
280.26355	72.6
298.27374	30.3
299.25925	4.9
374.77902	3.4
468.36893	100.0
468.43149	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31019	5.0
54.64020	4.9
56.70073	5.2
70.54878	5.5
81.07054	9.7
88.07578	5.5
92.20998	10.3
97.25832	5.8
99.10749	6.0
108.70297	6.4
109.10170	7.0
113.40775	6.0
165.09119	100.0
172.82985	6.4
203.10768	7.4
205.12321	10.7
217.12254	30.8
423.32666	26.1
433.93225	5.9
468.38303	13.1
470.75357	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38142	1.1
63.70750	1.4
69.08253	1.3
71.08626	2.7
88.71557	1.3
89.06033	100.0
98.46286	1.4
133.08611	29.5
139.27960	1.5
177.11263	6.4
236.53467	1.4
283.17508	76.9
422.90985	1.7
451.36331	10.8
468.39175	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22520	0.6
70.58731	0.5
71.61253	0.5
79.81424	0.6
83.20270	0.5
87.04476	2.5
114.24726	0.5
123.04431	0.9
126.64943	0.7
141.12163	0.6
183.06573	0.9
288.09042	0.6
303.28439	0.6
305.09705	0.7
320.21631	0.7
321.08621	5.2
322.09625	3.9
323.10431	1.0
324.11230	3.8
332.08221	0.8
333.12476	1.1
337.11938	2.5
349.08304	3.4
349.11893	2.3
350.09030	6.7
351.13425	10.0
365.11307	73.2
366.09787	2.8
386.77640	0.6
391.13107	2.1
407.12515	1.0
409.13889	6.0
469.16183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	2.1
55.01878	5.1
55.05475	2.4
55.73354	2.4
57.03441	6.3
61.02932	16.0
64.15058	2.5
67.05514	18.6
68.99798	2.7
69.03430	44.6
71.05006	2.7
79.05517	3.5
81.03419	15.5
81.07063	4.8
83.04971	4.8
83.09342	2.5
85.02914	89.8
87.04465	5.5
91.03957	2.8
91.05478	13.5
95.04975	5.0
97.02904	33.2
98.67173	2.5
99.04446	10.4
99.53053	2.4
103.05470	6.2
105.07049	3.5
107.04964	14.1
109.02878	13.9
119.04943	6.0
123.04454	35.7
125.06065	3.0
127.03912	19.2
131.04898	11.4
131.08597	2.7
133.06459	5.1
135.04416	4.6
140.04736	10.6
141.07013	4.8
145.04974	15.5
145.06516	11.4
147.04430	11.0
149.05962	4.6
151.07545	11.2
155.06992	4.4
157.06528	2.7
159.08066	5.7
161.05995	4.8
163.03932	20.5
167.07031	74.9
167.08337	3.6
169.06508	4.4
173.05937	10.5
173.09642	3.7
175.03926	18.7
176.04610	11.0
177.05457	10.5
179.07050	13.8
179.08675	2.6
181.04942	21.2
181.08586	3.8
181.15732	3.4
183.08003	6.0
185.09549	3.2
187.07542	5.3
189.09050	3.5
190.06316	5.1
191.03465	4.5
191.07037	100.0
193.08609	5.7
195.06538	10.2
195.10168	12.7
198.06822	3.2
199.07526	3.0
201.09077	11.6
205.08598	14.0
207.06523	43.7
219.06531	30.1
219.10149	5.3
221.08089	12.3
223.05995	51.0
229.08566	12.0
231.10020	9.6
233.08089	3.3
233.11716	14.6
243.10132	6.0
245.08292	3.2
245.11601	3.7
257.08182	6.2
259.09702	15.3
261.11166	26.4
277.10791	27.8
279.12271	28.3
289.10730	21.7
307.11844	25.3
334.10767	6.5
336.09644	2.8
437.65833	3.1
469.19034	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	2.1
55.01878	5.1
55.05475	2.4
55.73354	2.4
57.03441	6.3
61.02932	16.0
64.15058	2.5
67.05514	18.6
68.99798	2.7
69.03430	44.6
71.05006	2.7
79.05517	3.5
81.03419	15.5
81.07063	4.8
83.04971	4.8
83.09342	2.5
85.02914	89.8
87.04465	5.5
91.03957	2.8
91.05478	13.5
95.04975	5.0
97.02904	33.2
98.67173	2.5
99.04446	10.4
99.53053	2.4
103.05470	6.2
105.07049	3.5
107.04964	14.1
109.02878	13.9
119.04943	6.0
123.04454	35.7
125.06065	3.0
127.03912	19.2
131.04898	11.4
131.08597	2.7
133.06459	5.1
135.04416	4.6
140.04736	10.6
141.07013	4.8
145.04974	15.5
145.06516	11.4
147.04430	11.0
149.05962	4.6
151.07545	11.2
155.06992	4.4
157.06528	2.7
159.08066	5.7
161.05995	4.8
163.03932	20.5
167.07031	74.9
167.08337	3.6
169.06508	4.4
173.05937	10.5
173.09642	3.7
175.03926	18.7
176.04610	11.0
177.05457	10.5
179.07050	13.8
179.08675	2.6
181.04942	21.2
181.08586	3.8
181.15732	3.4
183.08003	6.0
185.09549	3.2
187.07542	5.3
189.09050	3.5
190.06316	5.1
191.03465	4.5
191.07037	100.0
193.08609	5.7
195.06538	10.2
195.10168	12.7
198.06822	3.2
199.07526	3.0
201.09077	11.6
205.08598	14.0
207.06523	43.7
219.06531	30.1
219.10149	5.3
221.08089	12.3
223.05995	51.0
229.08566	12.0
231.10020	9.6
233.08089	3.3
233.11716	14.6
243.10132	6.0
245.08292	3.2
245.11601	3.7
257.08182	6.2
259.09702	15.3
261.11166	26.4
277.10791	27.8
279.12271	28.3
289.10730	21.7
307.11844	25.3
334.10767	6.5
336.09644	2.8
437.65833	3.1
469.19034	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	2.1
55.01878	5.1
55.05475	2.4
55.73354	2.4
57.03441	6.3
61.02932	16.0
64.15058	2.5
67.05514	18.6
68.99798	2.7
69.03430	44.6
71.05006	2.7
79.05517	3.5
81.03419	15.5
81.07063	4.8
83.04971	4.8
83.09342	2.5
85.02914	89.8
87.04465	5.5
91.03957	2.8
91.05478	13.5
95.04975	5.0
97.02904	33.2
98.67173	2.5
99.04446	10.4
99.53053	2.4
103.05470	6.2
105.07049	3.5
107.04964	14.1
109.02878	13.9
119.04943	6.0
123.04454	35.7
125.06065	3.0
127.03912	19.2
131.04898	11.4
131.08597	2.7
133.06459	5.1
135.04416	4.6
140.04736	10.6
141.07013	4.8
145.04974	15.5
145.06516	11.4
147.04430	11.0
149.05962	4.6
151.07545	11.2
155.06992	4.4
157.06528	2.7
159.08066	5.7
161.05995	4.8
163.03932	20.5
167.07031	74.9
167.08337	3.6
169.06508	4.4
173.05937	10.5
173.09642	3.7
175.03926	18.7
176.04610	11.0
177.05457	10.5
179.07050	13.8
179.08675	2.6
181.04942	21.2
181.08586	3.8
181.15732	3.4
183.08003	6.0
185.09549	3.2
187.07542	5.3
189.09050	3.5
190.06316	5.1
191.03465	4.5
191.07037	100.0
193.08609	5.7
195.06538	10.2
195.10168	12.7
198.06822	3.2
199.07526	3.0
201.09077	11.6
205.08598	14.0
207.06523	43.7
219.06531	30.1
219.10149	5.3
221.08089	12.3
223.05995	51.0
229.08566	12.0
231.10020	9.6
233.08089	3.3
233.11716	14.6
243.10132	6.0
245.08292	3.2
245.11601	3.7
257.08182	6.2
259.09702	15.3
261.11166	26.4
277.10791	27.8
279.12271	28.3
289.10730	21.7
307.11844	25.3
334.10767	6.5
336.09644	2.8
437.65833	3.1
469.19034	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51149	0.6
71.95895	0.8
92.21482	1.0
97.02844	0.8
115.03941	1.0
118.06548	1.3
132.08116	3.6
144.08072	5.2
146.06010	41.5
159.09163	3.9
170.06041	1.2
176.95284	0.8
188.07066	100.0
203.32210	0.7
205.09729	32.7
369.85025	0.9
451.16046	1.0
469.17545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52008	0.7
59.38795	0.7
59.91245	0.7
69.69652	0.6
70.06593	26.0
74.02393	0.7
80.36875	0.6
84.12200	0.6
85.02909	0.9
87.05595	4.2
88.03943	1.3
93.97442	0.6
95.06100	1.3
99.05573	7.4
110.07194	0.7
112.08721	13.5
113.07135	10.4
115.08683	4.5
116.07095	12.1
124.03977	0.6
126.97414	0.8
127.04997	1.1
127.08675	1.7
136.07654	0.8
139.05046	6.9
141.06638	0.9
142.09760	3.2
158.09235	4.3
169.06146	1.2
170.09248	27.4
175.11934	1.7
196.10892	0.9
198.08708	7.4
211.11916	5.8
217.67464	0.7
255.14543	4.8
278.12537	11.9
291.10931	5.6
320.13611	0.9
326.19235	1.7
336.16519	1.4
337.16150	1.3
354.18866	1.4
372.19873	7.1
469.25177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17413	4.4
51.11319	4.1
55.05525	9.0
57.03432	22.8
59.55536	5.1
61.02939	59.5
62.22283	4.2
64.06538	4.7
67.05518	57.2
69.03431	24.3
69.07082	9.9
69.22610	4.7
69.33289	5.0
71.04974	5.0
73.02911	23.6
78.65731	5.4
79.05508	44.1
79.60554	4.6
81.03411	7.6
81.07072	70.1
83.08615	5.3
85.02903	44.1
90.18301	5.1
91.03957	29.0
91.05484	13.3
93.07041	62.0
95.04974	6.1
95.08620	55.7
97.02888	49.1
101.02348	6.9
105.07001	9.9
106.45750	5.5
107.08586	23.2
109.06522	5.8
109.10165	12.1
117.07009	9.1
119.08584	26.1
121.10150	42.1
127.03922	20.6
129.05499	9.2
131.08591	12.5
133.10136	13.1
135.11708	21.5
145.10150	8.2
147.11684	7.7
149.13223	7.0
159.11763	5.1
171.11696	5.6
173.13159	6.5
193.04973	5.4
215.18053	8.0
233.18983	5.8
307.22684	58.5
349.31216	5.4
369.76569	5.5
387.48682	6.3
437.56418	5.5
446.76706	5.7
469.28061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03989	1.7
55.05527	15.1
55.52298	1.4
55.83692	1.3
57.03441	3.4
57.07066	1.6
67.05508	41.8
69.03432	14.0
69.07080	18.5
71.04990	2.6
79.05073	2.8
79.05497	48.3
81.07061	57.6
83.04980	9.4
83.08627	13.0
85.20139	2.1
91.05480	18.4
93.06479	3.0
93.07042	68.9
93.07626	2.8
95.04958	11.3
95.08608	48.8
96.18916	1.8
97.02895	2.1
97.06527	4.0
97.10173	3.5
99.04499	1.8
105.07043	20.7
107.08606	52.4
107.23136	1.7
109.06507	3.0
109.10167	20.7
111.04428	12.1
111.08079	3.4
117.07019	4.0
119.08562	18.3
121.10143	42.1
123.08076	3.0
123.11670	3.3
125.09631	2.2
127.49507	1.7
129.05467	11.3
129.06999	4.0
131.08566	8.9
132.95616	1.9
133.10124	21.8
135.11662	34.1
137.09616	2.2
139.03969	2.1
140.65717	1.8
143.08545	3.3
145.10123	10.3
147.11617	16.4
149.09636	2.8
149.13223	19.3
151.11125	2.1
157.10097	2.2
159.11705	7.6
161.09653	2.7
161.13268	3.5
171.11743	3.9
173.13254	3.2
175.06020	2.6
175.14734	3.5
185.13240	3.8
217.15787	2.1
241.19409	7.6
259.20575	11.7
277.21606	100.0
295.22791	8.6
320.09235	2.7
321.09830	3.7
336.12231	7.0
405.63931	1.9
453.16962	2.2
456.75247	2.3
469.16284	2.7
469.27795	10.3
476.40286	1.9
494.70239	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40895	2.0
55.01865	5.4
55.05518	25.5
56.22797	1.9
65.03944	4.7
66.60732	2.6
67.05513	38.4
69.03423	11.5
69.07063	11.0
71.08644	4.2
79.05486	13.2
81.07060	29.7
83.04990	100.0
83.08598	9.5
83.24243	2.4
84.25085	2.4
85.10205	3.9
91.05478	5.2
93.03412	18.1
93.07034	19.7
93.34566	2.1
95.04944	9.5
95.08609	18.0
97.06514	4.2
97.10178	4.1
99.75986	2.3
105.07011	11.5
107.08578	11.3
109.10156	18.3
111.04443	59.6
111.08090	17.2
119.08570	10.5
121.02076	3.5
121.02877	48.9
121.10147	13.4
125.09560	2.9
133.10158	10.0
135.11681	9.3
137.05951	4.3
137.09618	6.2
139.03922	47.3
147.11685	5.1
151.11206	4.3
157.04973	11.0
161.13232	5.5
163.11209	2.6
165.12697	8.9
173.11752	2.7
173.97310	2.6
201.11281	2.5
231.21078	2.8
233.59496	2.5
240.87735	2.9
249.22083	3.6
259.20612	2.9
277.21631	62.7
295.22650	34.7
319.08185	2.9
320.09152	15.6
334.10669	4.1
336.12323	5.1
469.14615	13.0
469.24371	4.1
471.58603	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3674
Annotation	Koelpinin B
Peak:m/z	Relative Intensity
53.53528	1.3
67.05503	2.4
69.07077	6.5
79.05490	1.8
81.07069	15.8
83.08598	2.1
91.05472	2.7
93.07044	11.6
95.08605	31.4
97.10161	2.7
105.07048	10.2
107.08595	21.4
109.10143	15.0
119.08577	17.1
121.10121	27.4
123.11723	16.0
131.08534	2.5
133.10132	17.9
135.11703	23.2
137.13264	3.0
143.08510	2.4
145.10135	13.5
147.11668	14.2
149.13231	17.1
150.78378	1.7
157.10158	3.6
159.11717	13.0
161.13243	19.6
163.14819	52.4
163.16183	2.6
171.11745	3.7
173.13216	14.4
175.14827	18.4
177.09274	1.7
177.16412	2.3
179.14297	2.3
183.11678	1.8
185.13240	2.9
187.14784	15.1
189.16414	10.3
195.13712	2.0
199.14835	6.4
201.16418	11.5
203.18039	7.1
211.14882	2.6
213.16330	3.0
215.17943	31.7
225.16408	3.1
227.17966	1.8
229.19505	17.7
239.17958	3.4
241.19533	20.4
243.21109	8.8
253.19557	2.8
255.21048	15.8
257.22656	1.6
267.20999	3.4
269.22675	9.4
273.15460	1.5
275.20175	2.7
281.22519	1.9
289.21707	2.9
295.24286	2.5
301.21652	7.6
315.23056	1.8
321.25784	2.4
391.33612	17.2
409.34692	47.1
419.33264	8.6
437.34433	11.7
449.67603	1.6
451.35846	18.6
451.42038	3.2
469.36810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3676
Annotation	Dehydroeburicoic acid
Peak:m/z	Relative Intensity
53.03942	1.2
53.19597	1.2
55.05519	6.0
56.21232	1.3
57.07081	2.6
67.05511	10.6
69.03422	3.6
69.07066	6.7
71.04981	1.4
79.05491	9.9
81.07071	14.7
82.71887	1.4
83.04986	2.2
83.08619	3.7
91.05494	2.4
93.07050	15.0
95.05009	1.6
95.08598	19.0
101.86391	1.4
105.07047	10.4
107.08595	29.9
109.06503	3.5
109.10167	16.5
117.06969	2.4
119.08570	10.2
121.06475	2.6
121.10155	18.6
122.07308	2.6
125.09648	2.0
131.08548	8.4
133.10132	100.0
135.08060	15.4
135.11694	8.9
137.09621	92.4
143.08592	1.9
145.10127	6.7
147.11760	5.9
149.09598	2.1
149.13292	15.5
151.11237	2.9
157.10097	2.0
159.11679	2.4
161.13228	2.4
163.11214	2.7
171.11665	1.9
173.13248	9.6
187.14854	3.2
188.07138	3.5
191.14310	21.2
238.83855	1.7
261.22131	6.0
277.21600	2.0
281.67642	2.0
308.10928	1.6
313.25330	3.6
331.26300	10.0
355.31000	1.9
357.77194	1.5
380.59045	1.6
433.34433	11.5
444.30499	1.9
451.35715	52.5
469.37015	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.3
57.07085	28.4
67.05508	28.5
69.07069	33.8
69.20580	1.7
71.04987	1.8
71.08636	30.5
79.05487	4.3
81.07057	43.6
81.65411	2.0
83.08625	50.8
85.07658	4.2
85.10180	10.6
91.05492	7.4
92.21611	2.4
93.07036	13.4
95.08607	47.9
97.06554	2.6
97.10172	26.2
105.07041	3.3
107.08598	17.0
109.10168	50.0
111.08086	7.6
111.11732	12.8
119.08552	10.3
121.10133	10.8
123.11707	16.0
125.09629	10.2
125.13239	1.9
128.10796	1.9
133.10136	9.6
135.08121	2.4
135.11700	7.0
137.09593	3.3
137.13245	7.0
141.12756	9.0
142.12274	3.9
146.33211	1.6
147.11626	4.6
149.13258	3.8
151.11182	3.2
153.09033	2.7
154.12370	6.6
155.10677	10.0
155.14304	9.7
161.13237	9.5
163.14861	2.3
170.11754	45.2
172.13338	18.5
173.11769	20.7
175.14845	4.2
188.12808	14.1
189.16388	3.2
198.14854	3.9
212.23622	2.6
215.17659	2.7
240.23239	4.4
245.22705	9.0
263.23721	10.6
280.26404	24.2
281.24609	8.3
298.27408	100.0
299.25977	17.7
320.77011	1.9
337.64377	2.2
469.33817	16.8
469.40646	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74540	0.3
77.33659	0.3
77.55462	0.4
105.18360	0.3
116.90663	0.4
145.02922	0.4
151.03923	4.3
161.91594	0.4
177.05492	0.5
200.53017	0.4
278.84637	0.4
286.04477	0.4
290.08011	2.6
292.09497	2.9
304.06137	0.5
308.09143	5.7
318.07635	5.7
319.08429	4.4
320.09146	4.3
334.10748	4.5
336.12326	0.6
352.15332	0.9
364.08246	1.3
368.09164	0.5
369.10034	1.5
384.08652	0.5
397.09406	1.7
398.10199	2.0
399.11072	0.5
409.09393	0.4
410.10052	1.9
425.08884	1.9
426.09573	5.6
427.10318	1.6
442.12872	0.5
455.09918	17.7
470.12256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12358	0.5
62.18227	0.4
83.04962	1.2
86.11804	0.4
97.24676	0.5
111.04391	0.7
115.08310	0.5
121.02840	0.7
127.63062	0.5
151.03934	3.5
151.04935	0.5
202.94142	0.6
225.11504	0.6
252.87825	0.5
261.56128	0.5
290.07870	0.9
292.09695	3.0
308.09164	1.2
318.07584	5.9
319.08511	2.1
320.09131	8.8
321.09857	0.9
334.10818	3.9
336.12378	3.7
348.12140	0.8
368.09201	0.6
370.10266	0.5
382.10266	0.8
397.09485	0.8
398.10272	2.4
406.06830	0.6
410.10309	0.7
425.08716	1.3
426.09332	4.7
427.10349	2.3
440.11618	0.6
452.15918	0.9
454.12646	1.1
455.09833	16.7
470.12125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90111	0.4
60.95731	0.4
71.93546	0.4
82.16030	0.5
98.01961	0.5
138.93764	0.5
151.03891	4.2
166.40381	0.5
197.56367	0.5
238.24277	0.5
290.07916	0.8
292.09656	2.9
318.07486	5.2
319.08221	1.9
320.09210	7.8
334.10660	2.2
335.11490	2.2
336.12442	3.7
368.09137	0.6
396.08878	0.6
397.09473	2.2
398.10104	1.2
410.10226	0.8
412.08020	0.8
425.08682	2.2
426.09628	5.0
427.10416	1.0
438.09409	0.6
455.09949	18.4
470.12234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21153	0.6
62.62553	0.6
69.83788	0.7
81.07031	1.0
156.42883	0.8
166.00996	0.8
252.79781	0.8
304.05972	1.0
308.09106	4.3
319.08545	1.3
320.09204	3.5
321.09888	1.5
334.10687	3.4
336.12250	5.5
394.07193	1.6
396.08755	10.6
398.06555	3.9
412.08173	9.9
422.06525	1.4
425.08948	1.1
426.09650	20.6
438.09656	11.2
440.07623	32.9
441.08365	0.9
454.03122	1.6
454.09167	29.2
455.09766	13.4
458.54120	0.9
470.12265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01095	0.4
82.28453	0.4
92.23312	0.4
95.72458	0.4
110.59130	0.5
163.05388	0.4
261.76376	0.4
304.06122	0.5
306.32248	0.4
308.09180	1.7
318.07620	0.9
319.08469	5.6
320.09161	4.8
334.10678	11.8
382.10892	0.6
394.06882	4.5
396.08716	11.4
398.06607	4.9
409.09402	1.5
410.54260	0.4
412.08066	10.6
422.06613	1.8
423.07498	0.7
425.08835	1.6
426.03827	0.5
426.09689	22.1
438.09665	12.3
440.07651	37.2
441.08395	1.7
454.09146	31.9
455.09976	12.9
470.12302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89407	0.7
62.53387	0.7
68.03248	0.6
68.82820	0.8
71.09631	0.7
104.66789	0.7
153.57396	0.7
177.80211	0.8
178.01428	0.9
190.05002	0.8
241.08649	1.1
290.08109	4.2
308.09207	3.6
316.05948	0.9
318.07556	6.6
319.07953	1.0
320.09116	4.6
321.09634	0.9
334.10675	3.6
336.12390	1.8
344.05518	1.0
360.08655	1.3
364.09778	0.8
372.28458	0.9
381.09955	1.3
382.10928	0.8
385.09595	0.9
396.08469	1.7
398.10101	9.5
399.10913	3.3
408.08487	0.8
410.10245	1.0
414.09763	1.0
422.10355	1.2
425.09149	1.8
426.09689	15.0
427.10522	3.9
440.11703	1.2
442.12704	4.6
454.09235	11.4
455.09933	4.3
470.12280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12358	0.5
62.18227	0.4
83.04962	1.2
86.11804	0.4
97.24676	0.5
111.04391	0.7
115.08310	0.5
121.02840	0.7
127.63062	0.5
151.03934	3.5
151.04935	0.5
202.94142	0.6
225.11504	0.6
252.87825	0.5
261.56128	0.5
290.07870	0.9
292.09695	3.0
308.09164	1.2
318.07584	5.9
319.08511	2.1
320.09131	8.8
321.09857	0.9
334.10818	3.9
336.12378	3.7
348.12140	0.8
368.09201	0.6
370.10266	0.5
382.10266	0.8
397.09485	0.8
398.10272	2.4
406.06830	0.6
410.10309	0.7
425.08716	1.3
426.09332	4.7
427.10349	2.3
440.11618	0.6
452.15918	0.9
454.12646	1.1
455.09833	16.7
470.12125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62444	0.3
54.10141	0.3
65.05614	0.3
65.81280	0.3
67.05512	0.4
67.31142	0.3
69.03429	0.3
73.55038	0.3
83.04972	0.8
88.84045	0.3
88.97556	0.3
91.87984	0.3
93.03371	0.3
106.21865	0.4
111.04417	0.5
121.02876	0.5
124.52940	0.3
139.03937	0.5
151.03894	3.7
172.63600	0.3
208.50923	0.4
278.21869	0.7
289.07626	0.4
290.08087	0.8
292.09656	3.0
305.06467	0.4
306.07678	1.4
318.07544	5.2
319.08121	1.3
320.09216	8.4
321.09827	0.5
334.10736	1.3
336.12418	2.8
368.09125	0.6
369.09799	0.7
382.10535	0.6
384.08554	0.4
397.09134	1.7
398.10333	2.6
408.08203	0.4
410.09982	0.7
425.08966	2.9
426.09457	4.6
426.61066	0.4
427.10251	0.9
440.11703	1.2
442.12299	1.2
455.09879	17.6
470.12167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24557	0.3
69.34898	0.3
79.72293	0.3
151.03912	4.4
253.51091	0.3
290.08054	0.5
292.09695	2.9
304.05933	0.4
308.09027	0.6
318.07642	4.9
319.08353	1.9
320.09189	3.3
334.10855	0.6
335.07703	0.4
336.12143	0.6
354.07654	0.3
369.09933	0.7
370.10999	0.5
380.09366	0.4
382.10660	0.4
384.08383	0.5
397.09296	1.3
398.10117	2.3
408.08353	0.4
410.10257	1.6
425.08777	2.2
426.09573	4.1
427.10315	1.6
438.09549	1.2
442.12579	1.6
455.09763	15.2
470.12231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17645	0.1
51.94242	0.1
54.41524	0.1
57.01263	0.1
64.87654	0.1
82.28718	0.2
101.76320	0.2
204.40398	0.2
220.23950	0.2
220.26216	0.2
256.94971	0.2
285.78680	0.2
308.09164	100.0
331.95184	0.2
351.50717	0.2
470.14447	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11278	0.4
56.63276	0.3
72.36196	0.3
87.62663	0.4
92.21487	0.4
94.73166	0.3
101.75654	0.4
157.38107	0.4
217.83266	0.4
308.09155	100.0
403.21442	0.4
448.22128	0.4
470.14450	22.8
485.51392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13976	0.3
59.35011	0.3
80.71747	0.3
82.51389	0.3
89.82755	0.4
91.07749	0.3
169.13026	0.3
269.00244	0.4
280.09705	2.9
306.07700	0.4
308.09167	100.0
470.14462	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83825	0.1
55.70201	0.1
73.59576	0.1
81.50869	0.1
81.66688	0.1
91.40401	0.1
92.20920	0.1
99.66527	0.1
105.79419	0.1
119.45911	0.1
131.14993	0.1
145.51086	0.1
227.98561	0.1
265.07117	0.1
270.07422	0.2
278.08203	0.3
280.09692	2.5
306.07593	0.4
307.08551	0.3
308.09146	100.0
314.06598	0.5
404.24207	0.1
470.14453	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
76.47650	0.2
90.65924	0.2
206.25479	0.2
252.35986	0.2
278.08133	0.4
280.09653	3.0
306.07364	0.5
308.09155	100.0
353.31589	0.3
392.86420	0.2
470.14453	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58839	0.1
51.42214	0.1
53.59285	0.1
69.45637	0.1
70.30696	0.1
88.45885	0.1
93.48383	0.1
113.54089	0.1
175.32138	0.1
280.09833	0.2
293.06845	0.4
303.76541	0.1
307.08517	0.2
307.54568	0.2
308.09146	100.0
338.13751	0.7
394.16470	0.2
424.17508	0.2
453.34375	0.2
470.14319	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25611	0.1
85.43463	0.1
90.26588	0.1
92.85712	0.1
95.72052	0.1
104.52149	0.1
231.71422	0.1
274.18390	0.1
280.09589	0.2
286.48328	0.1
293.06534	0.1
307.08438	0.1
308.09155	100.0
470.14444	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13715	0.2
62.28428	0.2
98.60975	0.2
130.20018	0.2
158.77792	0.2
237.10062	0.2
269.11865	0.2
278.07953	0.2
288.74255	0.2
307.08148	0.2
308.09161	100.0
397.87393	0.2
470.14386	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82255	0.3
56.71558	0.2
60.66256	0.3
68.20213	0.3
68.26782	0.3
71.69381	0.3
91.13830	0.3
95.94720	0.3
119.70338	0.3
125.29183	0.3
143.65309	0.3
176.75421	0.3
180.44235	0.3
181.97769	0.3
188.94189	0.3
215.92081	0.4
228.17604	0.3
242.05280	0.3
272.72595	0.3
278.98227	0.3
280.09637	3.1
308.09174	100.0
470.14453	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55998	0.3
58.03060	0.3
63.36858	0.3
63.80745	0.3
64.89574	0.3
69.53240	0.3
70.98322	0.2
79.54892	0.2
79.91692	0.3
83.75276	0.3
87.92922	0.3
166.82594	0.3
308.09152	100.0
323.12000	0.3
384.92773	0.3
461.52448	0.3
470.14447	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51088	0.1
57.48736	0.1
63.26440	0.1
69.85745	0.1
82.99116	0.1
86.23177	0.1
103.81422	0.1
117.69585	0.1
159.05704	0.1
191.26149	0.1
270.99597	0.1
280.09644	0.2
295.08533	0.1
308.09155	100.0
338.13522	0.3
339.50485	0.1
470.14426	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93024	0.2
59.54753	0.3
66.53152	0.2
92.21596	0.3
129.75597	0.2
134.80717	0.2
160.02037	0.3
264.00549	0.3
308.09149	100.0
332.94495	0.3
470.14432	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27168	0.1
58.34131	0.1
58.55189	0.2
58.56055	0.1
60.43084	0.1
67.69814	0.2
72.28560	0.2
73.92033	0.2
75.54497	0.1
93.91042	0.2
100.82959	0.1
110.70998	0.2
111.03212	0.2
125.03168	0.2
127.14258	0.2
178.86845	0.2
181.74213	0.2
194.32599	0.2
265.07388	0.2
270.33780	0.2
278.07947	0.2
280.09616	3.0
284.07712	0.2
306.07660	0.3
308.09149	100.0
470.14453	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
101.92812	0.1
135.12726	0.1
156.34702	0.1
243.93851	0.1
278.08145	0.2
280.09753	2.4
306.07642	0.6
307.08398	0.2
308.09164	100.0
470.14496	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55998	0.3
58.03060	0.3
63.36858	0.3
63.80745	0.3
64.89574	0.3
69.53240	0.3
70.98322	0.2
79.54892	0.2
79.91692	0.3
83.75276	0.3
87.92922	0.3
166.82594	0.3
308.09152	100.0
323.12000	0.3
384.92773	0.3
461.52448	0.3
470.14447	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89730	0.1
58.06585	0.4
62.88887	0.2
66.62418	0.2
99.04440	0.2
145.09776	0.2
163.03873	0.3
270.07663	0.3
280.09692	2.6
306.07501	0.4
307.08597	0.3
308.09152	100.0
314.06482	1.2
351.10834	1.0
376.96054	0.2
470.14417	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.0
74.13821	0.0
83.23997	0.0
85.02867	0.2
92.21485	0.0
118.52304	0.0
123.15826	0.0
184.43298	0.0
250.08163	0.0
262.75806	0.0
278.08060	0.1
280.09692	0.2
293.06885	0.3
307.08380	0.2
308.09140	100.0
322.10818	0.1
323.11502	0.2
338.13800	0.5
470.14386	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
94.61306	0.2
99.83246	0.2
105.86639	0.2
124.73393	0.2
131.88995	0.2
155.06642	0.2
174.63222	0.2
175.04245	0.3
177.83817	0.2
209.12151	0.2
248.11313	0.3
308.09155	100.0
338.13965	0.5
470.14377	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64093	0.1
57.13728	0.1
66.72213	0.1
81.63818	0.1
97.65528	0.1
123.41537	0.1
134.36723	0.2
136.12381	0.2
190.04958	1.5
220.57552	0.2
262.08536	0.2
272.21967	0.2
290.08017	0.6
292.09653	3.5
304.34906	0.1
305.06558	0.2
318.07748	1.2
319.08228	0.3
320.09158	100.0
334.10693	1.1
335.11093	0.6
348.04855	0.2
349.05884	0.6
364.08142	4.9
458.01694	0.2
470.10080	2.2
470.17099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22536	0.2
54.46910	0.2
56.76846	0.2
57.79245	0.2
61.66895	0.2
74.13083	0.3
123.97209	0.2
126.63152	0.2
159.82281	0.3
182.40530	0.2
191.98776	0.2
199.19598	0.3
217.24196	0.3
264.09933	0.3
290.08124	0.3
292.09598	2.9
318.07666	1.0
319.08350	0.6
320.09164	100.0
334.10648	2.2
470.16595	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54567	0.2
64.04845	0.2
65.71965	0.2
66.64575	0.3
84.00587	0.2
93.17804	0.2
113.95342	0.3
173.75307	0.3
227.05524	0.3
241.08138	0.3
292.09653	4.3
297.11441	0.3
308.09021	0.4
318.07584	0.3
320.09161	100.0
334.10663	0.9
470.15878	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36022	0.7
54.95844	1.0
60.28667	0.8
62.89458	0.8
67.11162	0.8
68.09815	1.0
93.34640	0.9
97.94955	0.9
101.82563	0.8
107.01093	1.0
128.13768	1.0
149.45992	1.1
172.40186	1.0
214.96140	1.3
217.75951	0.9
249.50351	1.0
290.08163	8.6
304.06058	7.0
318.07581	11.0
319.08401	42.2
334.10733	77.5
394.10522	1.6
408.12271	19.8
420.12195	7.3
422.10214	31.3
436.11804	42.1
437.12683	13.7
452.14954	24.1
470.15948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48877	0.9
58.32838	0.8
61.12806	0.9
62.89175	0.8
69.01831	0.9
75.63789	0.8
110.46078	1.0
124.79191	1.0
140.68250	0.9
170.13373	1.0
290.08057	12.3
302.08093	4.7
304.06024	11.9
318.07574	16.2
319.04611	2.0
319.08414	63.6
334.10715	100.0
353.13898	1.2
364.39227	1.4
376.37943	1.0
457.19290	1.1
470.15948	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47512	0.6
75.45438	0.7
172.38493	0.7
207.72815	0.7
215.61160	0.8
216.40637	0.7
233.01675	0.7
233.40536	0.7
255.17351	0.7
256.11169	0.7
290.08051	8.6
302.08173	1.2
304.05972	6.8
318.07510	8.0
319.08380	41.7
334.10727	70.7
391.12180	1.1
394.10767	4.0
407.11432	1.2
408.12329	18.9
420.12268	8.7
422.10211	30.3
436.11783	48.6
437.12656	14.3
452.08774	0.8
452.14880	29.4
470.15991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54116	0.3
59.60087	0.3
95.87168	0.3
132.59360	0.3
135.33920	0.4
210.77705	0.4
371.11807	0.5
372.08527	0.4
385.09579	0.4
386.10138	0.6
387.06445	0.4
399.11038	4.2
408.06909	0.4
414.09628	1.2
414.16867	0.5
428.11151	0.8
442.16403	11.1
470.15967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13779	1.9
87.25060	1.9
92.21529	3.6
119.44157	2.0
260.21463	2.1
278.07925	1.9
292.09924	2.3
295.62662	2.4
320.09171	100.0
320.12802	4.4
328.09625	3.7
357.09927	70.6
358.10623	11.1
370.10947	2.0
385.09683	3.8
386.10220	55.9
442.15884	6.0
452.63080	2.6
454.16248	4.1
470.14758	73.0
470.20340	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.16
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97321	0.8
76.59130	0.7
97.76061	0.7
120.02998	0.9
134.93225	0.7
151.90402	0.7
152.99393	0.8
290.08154	1.0
292.09644	3.3
293.52301	0.7
300.10428	0.7
308.09106	4.8
319.08313	1.0
320.09174	100.0
328.09778	1.4
329.10474	3.4
334.10782	0.8
356.09000	0.9
357.09933	54.1
358.10675	7.4
371.11417	1.6
385.09412	4.8
386.10223	41.5
426.17010	3.8
442.16592	5.2
454.16638	8.5
455.17154	1.3
470.15475	47.4
470.19980	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.5
58.13192	0.5
77.46381	0.6
92.21480	0.7
94.92635	0.6
101.21091	0.6
105.30120	0.7
113.92767	0.7
117.62656	0.6
158.54216	0.7
201.82127	0.6
290.08096	10.2
302.08191	3.1
304.06024	10.0
308.09433	3.4
318.07593	15.7
319.08386	55.7
320.09207	1.1
334.10733	100.0
436.11877	2.7
444.91245	0.6
452.14914	1.4
470.16058	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48972	0.9
53.95962	0.8
58.01302	0.8
60.36349	0.7
67.27113	0.9
71.56607	0.8
75.91999	0.8
91.34929	0.7
142.51764	1.0
250.04831	0.9
258.21515	1.1
280.45047	1.0
290.07962	8.1
302.08218	3.5
304.06113	5.9
313.67999	1.1
318.07581	11.6
319.08408	40.5
319.11960	1.5
334.10733	67.1
394.10657	3.3
407.11551	1.0
408.12314	17.0
420.12210	9.2
422.10211	30.6
436.11844	47.5
437.12634	13.9
452.14966	30.2
460.68484	1.1
470.16003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83466	0.6
77.58673	0.6
86.77573	0.7
90.05309	0.6
92.21506	0.9
93.22350	0.6
111.67080	0.6
112.17435	0.7
174.64542	0.7
290.08154	8.5
302.08188	3.1
304.06107	7.8
318.07629	11.0
319.08398	42.2
334.10736	75.0
394.10544	2.6
407.11746	1.3
408.12280	19.7
420.12225	9.4
422.10233	27.2
436.11819	49.6
437.12537	14.6
452.14941	26.8
470.16016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11919	0.1
57.09626	0.1
61.43314	0.1
84.51729	0.1
99.84486	0.1
113.90868	0.1
120.34053	0.1
137.95284	0.1
156.48206	0.1
210.25522	0.1
262.08658	0.2
264.10159	0.2
271.66568	0.1
277.07254	0.2
290.08182	0.5
292.09668	4.2
308.09186	0.3
318.07571	0.8
319.08405	0.3
320.09158	100.0
334.07059	0.2
334.10748	0.7
415.98276	0.1
470.16138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33084	0.3
63.62987	0.3
69.54327	0.3
80.37344	0.3
93.60161	0.3
95.88519	0.3
97.21216	0.3
101.36170	0.3
292.09720	2.8
320.09183	100.0
336.12119	0.4
369.25787	0.3
441.55823	0.3
470.16064	1.4
475.65253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72836	0.3
55.85001	0.2
83.15009	0.3
86.03770	0.3
97.52615	0.3
163.25710	0.3
167.84871	0.3
290.08075	0.6
292.09689	3.3
304.06256	0.4
308.09354	0.5
318.07651	1.4
319.08386	1.3
320.09183	100.0
334.10535	2.8
438.90347	0.3
470.16434	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13699	0.5
53.03959	0.8
55.01878	3.7
57.17952	0.5
63.53204	0.6
81.03429	1.7
82.41333	0.7
84.00077	0.6
89.58576	0.7
99.04455	42.3
111.04422	1.6
121.06492	3.0
123.04442	1.0
133.14670	0.8
145.02856	1.2
163.03893	100.0
173.09677	0.8
175.07439	1.0
177.05437	1.1
181.04956	5.4
189.05452	4.0
207.06554	1.0
219.06473	1.5
229.07115	3.2
244.27910	0.8
261.07574	18.5
265.40259	0.8
278.92148	0.7
279.08691	4.8
280.09579	1.1
308.09158	63.9
309.55090	0.7
435.12924	8.7
453.13837	19.2
470.14407	28.7
470.23785	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61885	0.6
53.03964	0.9
55.01884	8.8
58.06604	1.1
58.50057	0.6
61.16085	0.6
65.27271	0.7
69.03432	1.1
70.06554	0.7
72.29160	0.7
73.02906	0.9
81.03419	4.0
83.04975	3.1
85.02909	1.5
95.04983	3.0
97.02929	1.1
97.98482	0.7
99.04465	48.8
99.34222	0.7
102.05542	0.9
103.62669	0.7
111.04431	9.3
117.64979	0.7
121.06509	6.8
127.03928	1.0
129.05481	1.4
139.03926	1.6
146.38719	0.6
157.04980	0.9
161.05930	1.0
162.05489	0.7
163.03908	100.0
164.07065	9.9
165.05461	4.4
173.39751	0.8
178.08646	1.0
181.04965	2.7
183.06544	4.4
189.05495	4.8
192.10220	1.3
203.02327	0.7
207.06551	1.4
210.11226	0.9
224.09184	1.5
229.07074	25.1
261.07571	16.4
279.08707	1.0
338.12491	1.0
359.37393	0.8
435.12875	28.8
453.13760	4.0
470.20663	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01843	0.7
53.03960	4.2
54.46178	0.7
61.02930	0.9
69.03439	7.6
70.06606	1.1
80.25265	0.8
81.03432	10.5
85.02909	9.9
97.02910	6.7
99.04459	60.6
109.02872	4.4
110.04469	0.8
114.50229	0.8
127.03902	5.7
137.05981	5.0
142.14964	0.8
145.04967	2.1
163.03934	1.1
164.07057	100.0
181.04939	1.6
206.08154	1.0
210.07605	99.8
250.40613	0.9
261.98282	0.8
268.73172	0.9
279.88211	0.9
291.54272	1.0
308.11316	1.1
369.35504	1.0
430.28683	0.9
452.15234	1.3
470.09879	1.8
470.16507	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.3
62.50963	1.0
62.85630	0.9
67.93294	0.8
68.66763	1.1
69.03437	8.9
70.06565	1.0
71.05025	0.9
73.02909	1.5
81.03413	2.2
83.05009	2.0
85.02901	26.0
95.04965	9.9
97.02887	7.0
99.04459	1.7
103.02163	1.5
109.02889	5.8
113.02361	10.8
122.02702	2.4
127.03922	11.7
137.05980	5.2
142.08600	1.9
143.04942	2.0
145.04968	2.0
149.05962	2.0
151.07536	12.3
151.11165	1.2
151.36134	1.3
160.07524	1.2
161.05977	10.7
174.05782	1.1
178.08635	39.3
179.07022	15.2
190.08647	2.3
192.06921	1.2
196.09691	80.6
199.28343	1.2
216.06844	1.5
220.09740	2.1
229.11609	1.4
238.10667	1.5
272.13260	2.3
273.63550	1.2
290.14264	4.6
292.10043	1.3
308.15329	6.8
318.43854	1.2
470.16544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85423	1.3
57.01537	1.3
59.49421	1.2
70.06567	1.9
75.67617	1.5
85.02905	2.2
87.05545	1.4
99.04432	3.6
110.23627	1.6
146.05724	1.4
206.07999	1.8
291.11374	2.1
293.10556	18.3
307.08215	3.1
308.09024	10.2
308.18213	2.1
319.10901	2.9
321.12466	19.7
323.10339	11.7
335.13934	4.9
337.12527	1.7
338.12610	64.7
340.11682	3.1
348.11169	3.4
353.10858	2.8
353.14935	64.4
365.11185	14.5
378.12250	2.4
393.14124	5.9
410.12372	2.1
421.14069	15.4
434.12222	3.3
438.16574	100.0
452.13446	2.4
463.69873	1.7
470.14261	76.5
470.19009	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85423	1.3
57.01537	1.3
59.49421	1.2
70.06567	1.9
75.67617	1.5
85.02905	2.2
87.05545	1.4
99.04432	3.6
110.23627	1.6
146.05724	1.4
206.07999	1.8
291.11374	2.1
293.10556	18.3
307.08215	3.1
308.09024	10.2
308.18213	2.1
319.10901	2.9
321.12466	19.7
323.10339	11.7
335.13934	4.9
337.12527	1.7
338.12610	64.7
340.11682	3.1
348.11169	3.4
353.10858	2.8
353.14935	64.4
365.11185	14.5
378.12250	2.4
393.14124	5.9
410.12372	2.1
421.14069	15.4
434.12222	3.3
438.16574	100.0
452.13446	2.4
463.69873	1.7
470.14261	76.5
470.19009	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85423	1.3
57.01537	1.3
59.49421	1.2
70.06567	1.9
75.67617	1.5
85.02905	2.2
87.05545	1.4
99.04432	3.6
110.23627	1.6
146.05724	1.4
206.07999	1.8
291.11374	2.1
293.10556	18.3
307.08215	3.1
308.09024	10.2
308.18213	2.1
319.10901	2.9
321.12466	19.7
323.10339	11.7
335.13934	4.9
337.12527	1.7
338.12610	64.7
340.11682	3.1
348.11169	3.4
353.10858	2.8
353.14935	64.4
365.11185	14.5
378.12250	2.4
393.14124	5.9
410.12372	2.1
421.14069	15.4
434.12222	3.3
438.16574	100.0
452.13446	2.4
463.69873	1.7
470.14261	76.5
470.19009	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1959
Annotation	915019-65-7
Peak:m/z	Relative Intensity
53.72006	0.6
54.34278	0.8
55.05518	1.4
56.09791	0.7
83.04985	32.2
87.11110	0.7
176.07082	13.4
199.07547	1.8
223.07507	1.2
233.87727	0.9
246.69360	0.8
256.75537	0.9
292.09772	3.6
320.09161	100.0
334.10715	1.5
336.12378	1.0
346.10889	4.8
357.10110	1.7
371.12634	1.2
372.08157	1.1
372.12296	6.3
470.13269	2.3
470.19666	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17849	0.4
58.37520	0.4
74.64700	0.4
77.90752	0.4
78.92768	0.4
88.37019	0.4
94.67654	0.4
132.75008	0.4
155.54153	0.5
157.71794	0.5
290.08090	8.8
302.08090	2.2
304.05981	7.0
308.09091	0.5
318.07565	11.2
319.08380	42.5
320.09140	2.1
321.09256	0.4
322.10687	0.6
327.61093	0.5
334.10718	100.0
336.12170	0.6
363.63263	0.5
373.38315	0.5
470.13074	0.5
470.19553	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1962
Annotation	915019-65-7
Peak:m/z	Relative Intensity
62.48948	0.2
65.38885	0.2
74.42804	0.2
77.04508	0.2
82.48985	0.2
83.76041	0.2
95.79066	0.2
109.10040	0.3
131.68633	0.2
153.47665	0.2
269.14880	0.2
272.00958	0.2
281.42130	0.3
292.09689	2.6
308.09192	1.0
320.09174	100.0
334.10629	0.4
343.02368	0.3
357.09915	1.9
386.10248	1.6
426.17383	0.4
454.16821	1.0
470.19983	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17849	0.4
58.37520	0.4
74.64700	0.4
77.90752	0.4
78.92768	0.4
88.37019	0.4
94.67654	0.4
132.75008	0.4
155.54153	0.5
157.71794	0.5
290.08090	8.8
302.08090	2.2
304.05981	7.0
308.09091	0.5
318.07565	11.2
319.08380	42.5
320.09140	2.1
321.09256	0.4
322.10687	0.6
327.61093	0.5
334.10718	100.0
336.12170	0.6
363.63263	0.5
373.38315	0.5
470.13074	0.5
470.19553	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
88.65013	0.3
194.31654	0.4
216.01846	0.4
217.61717	0.4
244.65181	0.3
248.61853	0.4
263.99423	0.4
292.09750	3.0
308.09082	0.4
320.09177	100.0
362.32040	0.3
413.81805	0.4
470.19742	23.2
478.25314	0.4
486.77499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1962
Annotation	915019-65-7
Peak:m/z	Relative Intensity
54.60961	0.5
63.30970	0.5
72.44100	0.5
92.50414	0.6
114.32251	0.6
305.66541	0.8
308.09256	1.1
319.08453	1.2
320.09164	20.2
332.09122	1.1
334.10715	1.4
367.12125	2.9
370.10693	6.6
384.12305	9.3
385.13138	0.9
396.15955	4.7
398.10052	9.8
412.11539	10.8
426.17169	6.9
442.20093	5.5
454.16449	6.5
455.17123	1.1
470.19647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10771	0.6
57.50916	0.8
59.70215	0.7
62.00239	0.9
62.19908	0.7
69.03426	0.7
81.03423	3.6
85.02889	1.3
91.05499	1.2
93.07062	3.9
95.04949	0.9
97.02886	1.3
99.04468	11.4
103.05484	0.7
121.06507	88.2
137.05980	1.1
142.70879	0.8
143.62196	0.8
150.09177	5.7
156.06528	0.9
161.05983	0.8
163.03940	4.8
164.07063	100.0
192.10246	1.0
198.07664	2.8
216.08656	1.9
224.09126	1.1
234.09639	1.5
268.66803	1.0
283.14801	0.8
354.15460	1.4
418.24695	0.9
452.19055	3.7
470.14716	6.4
470.20288	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10771	0.6
57.50916	0.8
59.70215	0.7
62.00239	0.9
62.19908	0.7
69.03426	0.7
81.03423	3.6
85.02889	1.3
91.05499	1.2
93.07062	3.9
95.04949	0.9
97.02886	1.3
99.04468	11.4
103.05484	0.7
121.06507	88.2
137.05980	1.1
142.70879	0.8
143.62196	0.8
150.09177	5.7
156.06528	0.9
161.05983	0.8
163.03940	4.8
164.07063	100.0
192.10246	1.0
198.07664	2.8
216.08656	1.9
224.09126	1.1
234.09639	1.5
268.66803	1.0
283.14801	0.8
354.15460	1.4
418.24695	0.9
452.19055	3.7
470.14716	6.4
470.20288	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71683	0.3
52.82189	0.3
59.05613	0.4
83.04430	0.4
85.02895	0.5
91.05486	4.5
95.04967	0.7
119.04930	5.7
132.24655	0.4
133.27649	0.4
137.06009	0.5
142.25430	0.4
151.07547	100.0
152.35762	0.4
168.10194	21.8
181.20319	0.5
267.46609	0.4
329.50534	0.5
490.69058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
57.07069	0.5
67.05504	0.4
69.07072	0.3
73.14593	0.3
77.88927	0.3
81.07070	0.8
83.08607	1.7
109.10121	0.7
134.09642	0.4
138.13553	0.4
144.96326	0.4
162.55350	0.3
175.77574	0.4
203.76889	0.3
215.77179	0.3
294.96298	0.4
318.07715	0.7
320.09247	0.5
334.15652	1.6
349.16983	9.6
377.20132	0.8
454.22839	2.6
455.23624	0.5
466.07816	0.4
470.25888	100.0
476.23593	0.4
490.39206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87320	2.7
69.03432	23.4
69.07073	46.9
73.08711	2.6
81.07058	4.5
84.56445	2.9
91.05444	3.6
93.07047	5.4
95.08581	4.0
107.08598	56.8
109.06560	6.2
121.10148	7.8
123.08071	4.6
125.09636	100.0
133.06429	2.8
151.11182	12.7
178.21211	3.5
185.09615	14.6
187.07578	5.2
200.87292	3.3
201.09160	5.0
213.09122	39.8
227.06963	4.8
227.10687	5.5
229.08624	13.3
231.10141	20.7
241.08592	30.6
255.09911	4.3
255.13846	16.5
259.09521	29.1
267.10187	3.1
267.13791	17.6
269.15353	29.5
273.16534	3.4
277.12177	22.0
283.13300	7.6
295.13275	20.7
297.14929	5.4
313.14362	18.4
315.15894	90.2
323.12793	3.9
323.16357	5.7
333.18442	5.9
351.19711	26.9
369.20752	4.7
379.19009	51.4
387.17990	17.8
397.20068	32.4
451.24026	4.3
453.26642	3.7
470.19592	7.1
470.27811	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03625	2.8
56.50181	3.0
58.06610	4.9
67.05500	18.2
69.07070	12.4
81.07069	5.5
83.04964	3.6
83.08615	7.5
93.07036	7.8
95.08611	5.9
107.08601	19.8
109.10155	32.5
119.08546	3.9
121.10104	7.6
129.12970	3.5
135.11652	5.2
149.08078	3.7
163.14905	4.6
187.07468	6.1
211.07433	4.6
225.09151	8.3
225.12828	6.3
238.09903	5.1
239.10786	4.8
249.12833	4.7
252.11385	4.1
253.08592	6.3
253.12167	35.4
267.13763	73.6
277.12085	4.5
281.15302	4.6
295.13263	17.6
313.14337	99.9
351.15738	6.6
353.17450	6.8
379.19217	5.6
435.25256	100.0
454.16455	5.8
470.19431	15.3
470.25638	4.4
470.34027	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.29
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14869	3.1
67.05511	6.4
69.07050	4.8
79.05471	4.0
81.07065	6.0
93.07083	6.1
95.08588	3.8
107.08607	51.5
109.10161	16.8
125.09646	50.4
135.11720	7.0
225.09082	5.5
225.12788	6.1
239.10693	4.5
249.12694	4.4
253.08560	5.4
253.12177	8.6
267.11084	4.5
267.13803	48.3
269.15387	4.6
281.15295	3.9
295.13251	18.3
313.14322	100.0
320.09103	18.9
323.19858	3.9
353.17520	4.6
435.25381	69.4
455.23944	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88734	32.9
57.53875	36.4
57.81561	37.8
62.20178	36.8
69.07089	56.0
81.07072	99.2
92.21484	62.3
110.33257	42.8
166.98146	39.4
193.88686	48.0
201.09052	74.8
229.08606	67.6
253.23695	46.0
255.10175	47.6
261.11322	53.9
269.15454	93.7
287.18265	53.4
292.06497	43.2
295.17169	45.1
341.17349	46.1
397.23584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3603
Annotation	Codaphniphylline
Peak:m/z	Relative Intensity
53.37236	1.6
54.67432	1.8
86.50889	1.7
100.39589	1.7
105.33438	1.8
108.08771	1.6
157.10295	2.1
192.06308	100.0
364.65536	2.5
470.36099	65.7
484.19263	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19642	0.9
57.38518	0.9
58.01526	0.9
66.83997	1.1
67.20036	0.9
68.77737	1.0
69.03435	1.0
85.02887	1.5
89.45443	1.1
92.24677	1.0
100.08757	1.0
110.07175	2.3
147.04422	11.4
153.21478	1.1
153.59964	1.3
176.45908	1.0
177.05516	1.4
179.08150	8.8
182.24825	1.0
193.04897	1.5
225.08688	4.4
309.09775	2.6
409.14038	1.1
423.60132	1.3
471.12552	100.0
471.18671	6.7
487.47537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
57.03432	0.3
58.06613	0.2
63.86797	0.2
69.03432	2.0
75.82465	0.2
81.03424	8.3
85.02902	3.4
86.37766	0.2
91.05482	1.4
97.02901	0.2
99.04464	1.2
109.02882	4.5
114.09146	1.0
119.04932	6.8
127.03902	1.5
145.02876	0.3
147.04407	100.0
153.90433	0.2
165.05450	2.9
172.62900	0.2
173.54073	0.2
177.05444	0.9
209.82066	0.2
291.08588	10.3
309.09671	17.0
367.09756	0.4
453.13742	0.2
471.14813	5.9
471.35437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
57.03432	0.3
58.06613	0.2
63.86797	0.2
69.03432	2.0
75.82465	0.2
81.03424	8.3
85.02902	3.4
86.37766	0.2
91.05482	1.4
97.02901	0.2
99.04464	1.2
109.02882	4.5
114.09146	1.0
119.04932	6.8
127.03902	1.5
145.02876	0.3
147.04407	100.0
153.90433	0.2
165.05450	2.9
172.62900	0.2
173.54073	0.2
177.05444	0.9
209.82066	0.2
291.08588	10.3
309.09671	17.0
367.09756	0.4
453.13742	0.2
471.14813	5.9
471.35437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
57.03432	0.3
58.06613	0.2
63.86797	0.2
69.03432	2.0
75.82465	0.2
81.03424	8.3
85.02902	3.4
86.37766	0.2
91.05482	1.4
97.02901	0.2
99.04464	1.2
109.02882	4.5
114.09146	1.0
119.04932	6.8
127.03902	1.5
145.02876	0.3
147.04407	100.0
153.90433	0.2
165.05450	2.9
172.62900	0.2
173.54073	0.2
177.05444	0.9
209.82066	0.2
291.08588	10.3
309.09671	17.0
367.09756	0.4
453.13742	0.2
471.14813	5.9
471.35437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02250	0.4
91.96089	0.5
97.33141	0.5
99.40064	0.4
119.04917	1.2
135.79149	0.6
147.04430	0.9
159.83611	0.5
175.03868	4.8
185.88802	0.5
204.79965	0.6
207.06509	7.3
211.37550	0.5
290.08124	11.8
302.08185	2.9
304.06058	10.1
318.07626	13.5
319.08401	60.2
334.10751	100.0
335.10846	0.8
471.15582	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33217	0.7
55.71142	0.7
58.03248	0.7
75.58006	0.9
75.95532	0.8
81.39939	0.7
177.05417	1.0
290.08154	5.9
302.08109	1.1
304.06006	5.0
318.07697	6.2
319.08411	27.3
320.08792	1.7
334.10757	54.0
335.10883	1.5
344.09241	1.3
354.11234	1.2
371.11569	3.4
380.08929	1.1
382.10788	3.4
398.14053	5.4
410.10535	4.5
413.11392	1.6
426.13251	7.9
427.12872	13.6
439.13010	6.3
441.10825	16.9
455.12329	38.4
456.12952	8.8
471.15564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22163	0.4
80.46781	0.3
80.84490	0.4
90.56208	0.4
120.49253	0.4
147.04376	0.7
149.57616	0.4
175.03908	2.9
207.06567	3.6
242.68239	0.4
290.08127	11.4
302.08286	3.0
304.06061	10.5
318.07645	13.4
319.08386	56.0
334.10727	100.0
354.94955	0.5
369.12009	0.5
471.15540	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94504	0.4
64.35717	0.5
69.03437	0.9
69.69064	0.4
72.48135	0.4
76.61753	0.5
81.03425	0.5
85.02931	0.5
96.36906	0.5
119.04939	1.1
127.03902	0.7
145.10083	0.5
147.04443	2.3
163.11130	0.6
167.07019	2.2
175.03902	6.3
192.71858	0.6
193.25049	0.5
207.06514	9.4
217.05571	0.6
223.13275	0.9
255.21678	0.6
290.08139	9.7
302.08139	3.5
304.06049	9.7
304.81815	0.6
318.07626	15.0
319.08408	54.6
334.10742	100.0
396.42004	0.5
410.67676	0.6
423.01724	0.6
471.15536	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92752	0.4
53.68877	0.5
56.01035	0.4
57.55786	0.4
60.47261	0.4
92.20939	0.9
226.28168	0.5
276.06439	0.7
290.08124	10.7
292.50659	0.5
299.95895	0.5
302.08090	3.4
304.06015	9.0
318.07608	15.3
319.08383	57.8
334.10721	100.0
442.04050	0.6
471.15552	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14692	0.6
57.93970	0.7
89.91175	0.7
102.65784	0.7
107.94915	0.7
108.29147	0.6
119.21124	0.9
147.67882	0.7
161.09485	0.6
175.03966	0.7
207.06586	0.8
216.87607	0.7
220.47253	0.7
243.22556	0.6
320.09323	2.9
321.09940	1.2
336.12305	1.5
344.09250	1.7
356.09232	1.0
358.34238	0.7
368.09134	0.8
371.11469	1.5
382.10724	3.5
383.11487	1.0
396.09109	0.9
398.13824	11.6
410.10468	3.5
413.11407	2.7
426.13168	9.9
427.12967	17.3
439.13263	8.6
441.10919	22.7
442.11316	0.9
455.12457	50.6
456.13358	11.3
471.15567	100.0
475.48615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73682	0.6
56.85038	0.6
66.27509	0.8
67.48965	0.8
69.07020	0.7
72.89394	0.7
75.18148	0.7
84.47066	0.7
84.92319	0.6
87.77075	0.8
107.08574	0.8
109.10171	3.3
119.35201	0.9
130.25368	0.8
153.12694	1.4
243.10092	1.2
252.63254	0.8
257.08252	0.9
275.12842	1.1
287.28149	0.8
292.09927	1.0
306.07199	0.8
307.42960	0.8
309.09549	1.0
319.08347	4.7
320.08865	5.9
321.09955	5.3
331.15482	5.9
331.18869	1.4
334.10611	9.2
335.11017	6.5
336.12280	12.7
368.09073	1.1
371.11453	3.2
382.10837	5.4
383.11572	1.5
396.08630	1.0
398.13858	9.6
410.10422	1.5
413.11340	1.6
426.13113	8.9
427.12894	18.6
439.12689	7.5
441.10779	19.7
441.16196	1.4
453.11096	1.0
453.26010	1.0
455.12387	46.5
456.13147	12.2
471.15457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33217	0.7
55.71142	0.7
58.03248	0.7
75.58006	0.9
75.95532	0.8
81.39939	0.7
177.05417	1.0
290.08154	5.9
302.08109	1.1
304.06006	5.0
318.07697	6.2
319.08411	27.3
320.08792	1.7
334.10757	54.0
335.10883	1.5
344.09241	1.3
354.11234	1.2
371.11569	3.4
380.08929	1.1
382.10788	3.4
398.14053	5.4
410.10535	4.5
413.11392	1.6
426.13251	7.9
427.12872	13.6
439.13010	6.3
441.10825	16.9
455.12329	38.4
456.12952	8.8
471.15564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	2.0
60.63171	1.1
69.03440	1.7
69.07069	14.7
70.02941	2.0
79.05496	6.2
79.45015	1.3
81.03425	2.9
83.94611	1.6
85.02905	6.7
86.06067	9.7
87.05577	3.1
88.09208	1.4
91.03958	3.7
91.05479	2.4
95.53947	1.4
97.02878	8.2
99.04434	2.2
106.06545	3.2
109.02871	7.6
109.06522	2.2
110.06038	2.6
111.11723	8.7
117.03363	7.1
119.04920	1.9
120.13795	1.5
125.04723	9.0
126.05482	6.6
127.03945	2.6
129.12747	9.7
129.83890	1.6
133.06076	2.4
134.06015	43.7
136.03915	6.7
136.07602	8.2
138.05493	2.0
145.02846	49.6
147.04433	14.7
147.13753	1.6
149.07065	3.4
150.05441	1.5
152.07004	2.5
160.03882	1.7
162.05450	2.7
163.03917	5.8
163.88409	1.5
170.04500	2.5
175.03896	8.0
176.07068	3.3
177.05380	100.0
177.06660	19.2
178.04935	14.7
179.08154	19.1
182.04573	1.9
195.07527	1.8
204.48531	1.8
206.04436	6.1
207.06514	10.0
211.07074	1.9
223.07149	10.4
224.05495	5.7
241.08131	16.1
308.09113	3.2
309.09503	17.8
315.06775	2.0
352.95883	1.8
417.12790	11.3
435.13895	56.3
453.14688	7.1
471.14194	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.96575	1.0
57.07084	1.2
60.04959	0.8
69.07077	1.5
71.08620	1.5
71.19011	0.8
75.88570	0.8
80.73144	0.8
81.07052	3.7
83.08611	1.5
85.10189	1.1
86.72378	0.8
93.07018	1.1
95.08605	5.2
97.10195	1.0
100.32909	0.9
107.08585	1.0
108.95132	1.0
109.10161	2.0
111.08079	1.2
121.10172	1.4
125.09530	1.1
128.10808	0.9
135.11736	1.1
136.93065	8.9
139.07558	1.9
139.11285	1.0
140.97101	0.9
154.94154	20.9
156.10219	6.1
172.95227	47.1
174.11282	1.7
177.95905	1.2
190.96300	20.7
195.96861	1.4
210.96797	23.2
212.98346	1.2
228.97830	36.9
246.98914	5.0
248.83940	1.0
280.26151	1.2
298.27252	1.6
315.16135	1.3
317.17880	49.7
333.17386	1.8
335.18896	23.8
335.22568	1.2
373.20807	1.2
397.14651	6.8
415.15839	1.1
453.17102	38.0
453.36832	11.9
471.18225	100.0
494.20004	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1816
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
66.53400	1.1
69.07082	1.3
72.30499	1.3
72.53337	1.5
81.07072	1.4
88.68649	1.7
93.80189	1.3
106.41273	1.2
111.73457	1.3
126.66122	1.3
136.93130	7.2
141.05812	1.5
154.94170	20.9
160.75412	1.3
172.95245	39.0
190.96283	17.5
210.96780	21.9
228.97826	36.3
246.98888	2.2
299.25735	1.3
310.18115	1.5
317.14255	2.0
317.17892	46.9
320.09134	1.7
335.18982	23.2
397.14688	5.4
453.17111	33.9
465.07831	1.7
471.18225	100.0
471.34866	2.0
494.19321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79213	1.1
57.07074	6.2
57.18897	0.8
65.23334	0.9
66.41473	1.0
67.05512	1.4
69.07063	2.2
71.08634	2.7
78.51145	0.9
81.07050	4.5
83.08634	2.2
85.10182	1.5
95.08598	4.8
98.98474	1.4
109.10135	2.4
119.08565	1.2
119.80157	1.0
121.10143	1.1
136.93143	6.6
154.94164	20.2
155.01065	1.3
172.95216	43.0
190.96248	19.1
192.95804	1.2
210.96793	20.9
228.97842	34.7
246.98917	7.1
298.27411	1.3
299.25766	19.8
317.17856	44.3
333.17355	2.6
334.10843	1.4
335.18930	22.2
397.14536	6.1
435.24847	1.3
453.17078	38.2
453.22968	1.9
471.18185	100.0
484.61389	1.1
494.19800	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.3
71.34532	0.7
72.12499	0.7
73.26317	0.8
81.03411	3.2
85.02894	1.4
89.63562	0.8
91.05485	7.7
119.04939	25.9
137.06007	1.2
147.04407	30.5
157.03984	2.0
175.03896	74.5
179.07002	1.4
191.07037	1.5
192.98366	0.9
207.06519	100.0
225.07716	0.9
291.12360	5.4
309.09445	1.6
334.11057	1.4
335.11218	1.4
351.10968	1.4
354.09860	1.3
369.11780	9.0
453.07101	4.5
471.08099	1.2
471.15872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11614	0.6
54.73056	0.7
58.99496	0.7
69.03428	0.8
75.94651	0.8
81.03413	6.1
85.02904	2.7
86.16342	0.8
90.84292	0.6
91.05461	5.9
97.02902	0.8
109.02856	1.2
119.04936	22.8
137.05971	1.6
147.04402	27.3
147.05580	1.0
157.04010	1.7
175.03899	76.3
177.05389	1.5
179.07071	1.0
181.63896	0.7
192.44336	0.7
201.05461	3.1
207.06514	100.0
208.94649	0.8
225.07510	3.0
291.12335	1.1
351.10715	4.7
369.11731	6.9
471.16519	3.3
481.30154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75356	0.4
67.05523	0.6
69.03446	0.4
75.63409	0.4
81.07066	0.6
95.08587	0.6
105.07009	0.6
109.18617	0.4
118.68287	0.4
131.77231	0.4
203.27577	0.5
292.09662	11.4
304.09793	1.5
306.07761	3.3
320.09192	14.1
321.09943	30.2
336.12292	100.0
337.12845	0.7
415.27444	0.5
471.19537	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75356	0.4
67.05523	0.6
69.03446	0.4
75.63409	0.4
81.07066	0.6
95.08587	0.6
105.07009	0.6
109.18617	0.4
118.68287	0.4
131.77231	0.4
203.27577	0.5
292.09662	11.4
304.09793	1.5
306.07761	3.3
320.09192	14.1
321.09943	30.2
336.12292	100.0
337.12845	0.7
415.27444	0.5
471.19537	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30223	2.2
53.24258	2.0
55.01872	2.3
55.05505	2.2
55.42460	2.2
58.06597	17.6
61.02932	6.3
65.75216	2.4
69.03451	4.2
69.07074	50.8
70.06586	5.0
73.02933	3.5
79.05520	2.3
81.03419	9.1
85.02908	21.2
86.06071	100.0
86.09766	3.2
91.03966	11.8
91.05473	5.9
97.02907	15.4
98.06013	3.4
99.04449	3.8
101.20804	2.4
106.06553	12.6
108.04492	2.5
109.02885	14.2
110.06033	10.7
111.11727	33.5
117.03343	2.9
119.04917	20.8
125.04712	4.7
126.05550	4.2
127.03925	14.8
128.34146	2.7
129.12756	40.9
134.06024	47.5
135.04352	3.7
136.03958	3.1
136.07584	6.0
138.05507	4.7
145.02834	48.2
145.04955	3.3
147.04410	40.3
147.13770	9.4
148.07582	18.3
149.07092	3.5
150.05591	3.3
152.07095	3.7
158.00238	2.7
163.06020	5.4
175.03905	72.8
175.05336	4.8
176.07065	62.3
177.05374	99.7
177.06668	20.8
178.05002	17.1
178.08705	3.3
179.08148	14.5
181.09734	3.8
182.04512	3.1
193.09683	4.7
194.08134	13.7
206.04443	4.2
207.06516	84.0
211.07201	3.6
211.10791	5.6
223.07123	13.1
229.12097	2.8
238.14990	2.6
238.37173	2.9
241.08188	14.6
417.12292	7.6
435.13605	34.3
435.17810	32.9
453.18832	11.9
471.19943	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88741	0.4
55.46795	0.5
57.32051	0.5
57.83587	0.5
58.06607	100.0
60.01026	0.6
69.03440	0.5
70.06597	7.3
71.55389	0.5
83.98488	0.5
84.10383	0.5
85.02911	0.9
86.23970	0.6
87.22899	0.5
91.06587	0.5
93.33323	0.5
94.29706	0.5
97.02896	0.6
99.04440	3.6
103.99000	0.5
116.07092	8.3
127.03918	0.7
142.72461	0.6
147.04413	11.3
158.46127	0.6
163.03867	4.4
163.06000	0.8
164.04272	2.5
177.05367	0.7
196.92540	0.6
219.98395	0.6
252.07762	3.2
272.11667	0.6
279.06622	0.9
281.08051	1.2
283.09625	0.8
309.09583	3.6
311.09149	12.7
312.08582	0.7
324.12354	7.7
356.14914	58.9
439.18393	2.8
454.14008	1.2
471.14117	0.9
471.21030	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88741	0.4
55.46795	0.5
57.32051	0.5
57.83587	0.5
58.06607	100.0
60.01026	0.6
69.03440	0.5
70.06597	7.3
71.55389	0.5
83.98488	0.5
84.10383	0.5
85.02911	0.9
86.23970	0.6
87.22899	0.5
91.06587	0.5
93.33323	0.5
94.29706	0.5
97.02896	0.6
99.04440	3.6
103.99000	0.5
116.07092	8.3
127.03918	0.7
142.72461	0.6
147.04413	11.3
158.46127	0.6
163.03867	4.4
163.06000	0.8
164.04272	2.5
177.05367	0.7
196.92540	0.6
219.98395	0.6
252.07762	3.2
272.11667	0.6
279.06622	0.9
281.08051	1.2
283.09625	0.8
309.09583	3.6
311.09149	12.7
312.08582	0.7
324.12354	7.7
356.14914	58.9
439.18393	2.8
454.14008	1.2
471.14117	0.9
471.21030	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88741	0.4
55.46795	0.5
57.32051	0.5
57.83587	0.5
58.06607	100.0
60.01026	0.6
69.03440	0.5
70.06597	7.3
71.55389	0.5
83.98488	0.5
84.10383	0.5
85.02911	0.9
86.23970	0.6
87.22899	0.5
91.06587	0.5
93.33323	0.5
94.29706	0.5
97.02896	0.6
99.04440	3.6
103.99000	0.5
116.07092	8.3
127.03918	0.7
142.72461	0.6
147.04413	11.3
158.46127	0.6
163.03867	4.4
163.06000	0.8
164.04272	2.5
177.05367	0.7
196.92540	0.6
219.98395	0.6
252.07762	3.2
272.11667	0.6
279.06622	0.9
281.08051	1.2
283.09625	0.8
309.09583	3.6
311.09149	12.7
312.08582	0.7
324.12354	7.7
356.14914	58.9
439.18393	2.8
454.14008	1.2
471.14117	0.9
471.21030	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10858	1.3
54.74949	1.2
58.06600	10.1
59.52209	1.5
61.75855	1.6
62.15095	1.6
63.26099	1.3
86.09705	2.3
91.70049	1.3
92.21519	1.7
98.59547	1.4
113.00245	1.5
122.84299	1.4
151.74011	1.6
165.09064	5.6
199.17975	1.5
234.78201	1.7
290.08270	2.4
292.04541	1.6
309.09338	2.9
318.07886	2.1
319.08484	12.8
320.08728	11.6
321.09695	2.1
333.07956	18.4
334.10669	22.7
335.10272	20.3
336.12390	6.2
412.13538	2.1
438.12933	1.9
453.15042	2.0
471.15964	20.7
471.22067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65134	0.7
64.94347	0.8
65.06333	0.8
67.05533	1.4
69.07059	1.4
81.03436	0.9
81.07073	4.4
83.05028	0.9
92.42747	0.8
93.07055	1.6
95.04948	1.2
95.08609	1.7
101.42767	0.9
107.08606	2.0
109.10204	1.2
121.10138	1.1
139.63742	0.9
151.11229	1.8
175.12540	0.9
192.10217	9.0
195.00400	3.6
204.51682	0.9
224.07019	1.8
267.12460	1.5
277.21817	1.0
280.13327	49.2
320.09381	4.0
321.09769	1.5
334.10886	5.2
335.20560	1.1
336.12308	39.1
373.08978	4.0
373.23456	13.0
383.14078	1.1
384.14706	2.0
413.14856	1.0
414.15784	3.8
471.22510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53467	1.0
67.89536	1.4
71.27366	1.1
136.63544	1.1
176.07045	9.4
191.09813	1.1
224.07048	4.9
226.08617	5.8
281.14206	2.4
287.09726	1.4
296.16443	67.9
320.09161	7.5
321.09857	11.2
334.10541	4.9
336.12262	29.6
385.12558	1.6
414.15448	2.9
427.16840	2.1
455.17752	1.2
471.23126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	47.4
69.23147	0.9
111.77929	0.8
112.62691	0.9
130.06520	16.2
182.28951	0.9
196.81555	0.8
248.08330	1.0
249.09094	1.3
277.08609	22.8
278.09491	1.2
282.08841	1.3
290.08163	1.0
294.08890	21.6
297.11224	9.2
304.05771	1.2
308.09418	0.9
309.11243	75.4
318.07758	1.1
319.08408	1.6
321.09631	1.8
334.10672	9.9
336.12363	1.9
337.12915	1.0
348.13379	1.1
351.12668	1.0
354.17023	2.0
362.11618	3.7
366.15048	1.1
376.13287	1.2
394.14352	6.9
408.02167	0.9
411.14621	5.0
426.16959	9.1
471.22787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	51.3
61.24891	0.5
91.05458	0.7
95.08617	1.2
97.04211	0.6
119.08588	0.7
121.06460	1.0
130.06523	16.5
137.06017	0.9
185.67238	0.7
247.00851	0.8
249.09138	1.5
277.08566	20.2
278.09476	1.0
292.09961	0.9
294.08838	18.6
297.11258	6.5
299.12817	1.1
307.47958	0.8
309.11221	76.3
319.08359	0.8
320.09048	5.8
321.09653	6.5
334.10999	1.4
336.12494	6.5
354.16965	1.5
362.11774	4.1
366.15143	1.4
368.17670	0.8
376.13409	1.2
394.14334	8.8
411.09134	0.9
411.14282	4.9
426.16766	8.9
452.26556	0.8
459.03018	0.7
471.16327	4.1
471.22766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	50.6
59.67610	0.7
65.97799	0.8
66.47234	0.7
71.17813	0.7
74.92422	0.7
92.37834	0.8
130.06526	16.8
140.18265	0.9
148.82494	0.9
175.53308	0.8
221.09840	1.1
258.15262	0.8
265.08704	0.8
276.07831	1.1
277.08588	23.7
278.09714	1.1
294.08862	23.9
297.11127	7.1
309.11209	81.3
320.09167	1.2
334.11789	1.6
335.11160	0.9
336.12415	1.3
354.17078	1.3
357.26514	0.8
362.11768	3.0
376.13513	1.1
394.14444	9.6
411.14758	3.7
426.17026	7.9
471.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85012	0.8
156.03815	0.9
156.58234	0.8
176.07085	10.2
202.22952	0.8
224.07033	6.1
226.08620	5.2
228.94099	1.1
239.09196	0.9
240.10300	1.2
281.14044	2.1
296.16446	73.9
319.08423	1.7
320.09277	4.5
321.09924	11.8
334.10825	1.9
336.12253	33.5
383.13934	4.1
399.13397	1.4
409.84235	0.9
413.14664	1.3
454.71115	0.9
471.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30176	0.9
58.06606	50.0
61.39583	0.9
66.50838	0.8
91.25772	0.9
130.06511	18.6
138.36255	1.0
155.10092	0.9
221.09544	1.2
249.09166	1.2
265.08682	0.9
276.52502	1.0
277.08594	22.5
291.09894	1.1
294.08835	21.4
297.11142	6.6
309.11194	82.6
319.08368	1.3
320.08734	1.5
334.11484	1.2
336.12231	1.4
354.17007	2.0
362.11810	2.1
365.47409	0.9
366.15103	2.2
376.13226	1.0
394.14362	8.8
411.14636	4.7
426.16983	10.7
471.16583	3.7
471.22745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65134	0.7
64.94347	0.8
65.06333	0.8
67.05533	1.4
69.07059	1.4
81.03436	0.9
81.07073	4.4
83.05028	0.9
92.42747	0.8
93.07055	1.6
95.04948	1.2
95.08609	1.7
101.42767	0.9
107.08606	2.0
109.10204	1.2
121.10138	1.1
139.63742	0.9
151.11229	1.8
175.12540	0.9
192.10217	9.0
195.00400	3.6
204.51682	0.9
224.07019	1.8
267.12460	1.5
277.21817	1.0
280.13327	49.2
320.09381	4.0
321.09769	1.5
334.10886	5.2
335.20560	1.1
336.12308	39.1
373.08978	4.0
373.23456	13.0
383.14078	1.1
384.14706	2.0
413.14856	1.0
414.15784	3.8
471.22510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	50.6
59.67610	0.7
65.97799	0.8
66.47234	0.7
71.17813	0.7
74.92422	0.7
92.37834	0.8
130.06526	16.8
140.18265	0.9
148.82494	0.9
175.53308	0.8
221.09840	1.1
258.15262	0.8
265.08704	0.8
276.07831	1.1
277.08588	23.7
278.09714	1.1
294.08862	23.9
297.11127	7.1
309.11209	81.3
320.09167	1.2
334.11789	1.6
335.11160	0.9
336.12415	1.3
354.17078	1.3
357.26514	0.8
362.11768	3.0
376.13513	1.1
394.14444	9.6
411.14758	3.7
426.17026	7.9
471.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	Enoxolone
Peak:m/z	Relative Intensity
55.05510	0.8
55.38596	0.5
57.07077	4.0
62.48182	0.6
67.05513	1.4
69.07058	3.9
71.05020	0.6
71.08634	1.3
74.23785	0.6
79.05501	0.7
81.07053	4.7
83.08617	2.3
85.10206	0.8
91.05404	0.7
93.07039	1.5
95.08623	5.1
97.10161	2.7
105.07044	0.8
107.08580	1.5
109.10144	4.0
111.08089	1.0
119.08566	2.5
121.10147	0.7
125.09605	0.7
128.10742	1.2
131.08575	0.8
133.10138	3.5
135.11658	1.6
139.07538	3.3
141.12715	0.7
145.10042	1.1
147.11682	1.1
149.13168	1.0
156.10193	3.5
159.11661	0.8
161.13261	1.6
167.21365	0.7
171.11629	0.7
172.95299	1.1
173.13246	7.2
174.11275	3.1
175.14841	1.3
177.16437	2.6
178.23418	0.6
185.13266	0.7
187.14912	1.4
189.16385	1.2
190.96304	0.7
203.17937	0.8
213.12759	0.9
228.97948	1.3
233.15263	2.3
256.26401	1.3
263.23886	0.8
280.26416	0.7
298.27216	0.8
299.25806	6.0
317.17819	2.6
359.90042	0.8
417.31335	0.7
426.05215	0.8
435.32474	5.2
453.17438	0.9
453.32712	14.0
471.18466	4.8
471.34686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
61.45777	4.5
62.65733	4.7
63.08948	4.5
67.05496	8.4
69.07067	10.6
72.77945	4.4
80.84628	5.4
81.07056	24.6
83.08611	5.5
90.52095	4.7
93.07033	27.5
95.08601	56.1
95.39954	4.3
101.00204	4.9
105.07016	25.9
107.08578	54.2
109.10166	40.0
119.08574	51.6
121.10136	37.4
123.11681	10.9
131.08568	11.9
133.10143	34.5
135.11693	27.9
145.10120	23.2
147.11684	22.9
149.13263	9.5
159.11708	23.3
161.13249	24.6
163.14824	17.9
173.13229	47.5
175.14799	27.1
177.16389	20.8
177.75316	4.9
187.14809	35.2
189.16345	28.7
191.14282	100.0
191.17934	7.1
201.16400	21.7
203.14299	33.0
203.17952	85.3
205.15907	7.4
213.16284	6.9
221.15350	60.1
249.18547	10.2
407.32944	24.5
425.33929	51.6
435.32178	7.7
453.33655	26.5
471.34753	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.7
57.03455	1.7
57.07082	26.9
60.86478	1.6
67.05512	16.7
69.07073	24.1
71.08646	22.5
79.05496	2.8
81.07060	33.8
81.89964	1.8
83.08619	32.9
85.10189	15.6
91.05492	2.2
93.07045	10.2
95.08598	40.3
95.76580	1.6
97.06535	7.1
97.10180	17.1
98.98481	7.4
100.07633	3.1
105.07053	2.0
107.08612	8.0
109.10155	31.9
110.09703	2.2
111.08055	18.3
111.11682	4.0
114.09116	2.1
119.08543	7.4
121.10143	9.7
123.08090	2.3
123.11724	8.8
125.09641	3.4
128.10704	17.4
133.10136	9.5
135.11700	3.8
136.93137	2.9
137.09663	3.3
137.13297	3.1
138.09181	6.7
139.07521	29.5
139.11143	2.0
147.11696	9.2
149.13251	3.5
154.94171	9.9
155.01041	7.7
155.14221	2.7
156.10201	62.3
161.13202	1.9
163.14874	2.9
172.95198	19.3
174.11293	26.0
175.14749	2.6
190.96286	3.1
210.96767	11.5
228.97917	14.9
245.22626	10.1
252.51155	1.9
263.23648	7.9
280.26306	10.8
298.27460	15.6
299.25836	53.1
312.84052	1.7
317.17770	17.2
335.18985	3.3
397.14700	2.6
435.24875	8.3
453.17148	13.3
453.36823	100.0
471.18195	47.9
471.38068	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	3.8
58.06615	0.7
69.07067	2.6
70.06596	6.3
71.08640	2.7
71.94286	0.6
81.07103	0.7
82.62694	0.6
83.04935	0.8
88.07630	19.0
93.07061	1.2
95.08623	0.9
97.06535	0.9
100.07623	0.6
102.08583	0.9
102.09195	14.0
104.79915	0.6
107.08620	1.0
111.11755	1.1
114.09145	0.7
121.10149	0.7
135.11720	7.9
145.10091	0.7
152.14305	4.9
153.12762	3.8
170.15387	1.3
198.14919	9.3
199.13254	0.9
212.23676	1.0
223.71245	0.8
224.16545	3.5
225.14934	2.5
242.17487	18.9
243.15985	0.8
256.26328	100.0
274.27451	3.5
318.07309	0.8
471.41577	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60226	0.5
57.07069	3.3
58.06593	0.8
65.56621	0.6
67.05487	0.7
69.07064	4.0
70.06592	5.9
71.08633	2.8
78.14489	0.6
85.10194	0.8
88.07639	17.9
93.07018	2.5
95.08609	1.1
97.06530	1.4
98.69063	0.7
102.09182	13.8
107.08615	1.5
108.08875	0.7
114.09208	0.9
135.11699	6.9
135.17522	0.6
152.14296	4.8
153.12723	4.4
159.38310	0.6
170.15378	1.5
179.94521	0.8
198.14861	8.2
199.00949	0.6
224.16447	2.8
225.14746	1.2
241.31982	0.7
242.17497	22.2
256.26318	100.0
274.27405	3.3
444.96439	0.8
471.41559	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.8
58.83179	0.6
60.38350	0.6
66.63803	0.7
69.07066	2.7
69.37879	0.6
70.06596	8.1
71.08622	1.1
71.57284	0.6
81.07073	1.0
88.07635	22.2
93.07047	1.1
95.08609	1.3
96.54398	0.7
97.06537	1.1
102.09183	17.9
106.08678	0.8
107.08574	1.4
114.09190	1.2
135.11696	7.8
152.14369	6.8
152.95155	0.7
153.12738	3.2
163.11258	0.7
170.15277	0.8
198.14873	9.4
212.23770	0.9
224.16537	3.1
225.14841	2.6
242.17491	19.3
256.26331	100.0
274.27469	4.0
471.41586	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94870	0.4
71.73038	0.4
97.52823	0.4
105.24316	0.5
121.69797	0.6
128.58559	0.5
191.07057	0.7
193.08669	0.7
201.05467	0.8
215.85278	0.5
221.07979	0.5
294.11371	0.6
305.08319	0.6
307.08420	0.6
320.08963	0.8
321.10052	0.9
334.07162	1.0
334.10764	0.6
336.12323	0.7
386.10400	0.7
414.09686	6.6
428.11261	0.8
429.12027	7.6
440.11182	0.6
442.09000	3.5
456.10513	1.0
457.06656	1.4
457.11548	70.5
472.13971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20948	0.8
54.93278	0.9
82.90202	0.9
100.52426	1.2
108.38538	0.9
114.79450	1.0
119.02974	1.3
208.09671	1.4
215.42567	1.1
278.08081	1.2
290.08279	1.3
292.09561	10.8
306.07578	4.1
307.08383	26.1
310.07144	16.1
320.09177	17.5
321.09933	29.6
322.07120	1.5
322.10608	3.8
325.98181	1.1
334.10727	5.1
336.12268	99.3
368.09625	1.1
401.08923	4.7
410.10239	1.3
412.11502	1.9
413.12570	7.2
414.09680	2.1
426.09589	4.2
428.11276	17.9
430.09372	1.2
440.11459	2.5
442.09143	9.6
456.04797	1.7
456.10773	34.3
457.11630	10.3
472.14639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18804	1.0
75.28165	1.0
78.22288	1.1
119.00862	1.1
184.58566	1.1
319.08234	2.5
320.09103	1.9
334.10648	6.1
343.08374	1.5
344.09204	5.4
345.09976	4.4
372.08499	1.4
373.09451	67.9
374.10284	4.9
401.09009	6.1
402.09711	44.8
410.95920	1.2
415.10403	1.9
444.14310	6.8
472.13898	100.0
472.20154	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50153	0.4
57.45240	0.4
61.76351	0.4
62.50428	0.4
79.02080	0.5
83.36279	0.5
97.62392	0.5
122.01021	0.5
137.02316	0.7
161.05972	1.0
221.96333	0.6
276.44098	0.5
290.08020	1.2
291.08871	3.3
292.09512	0.8
303.06549	1.0
304.05969	0.9
305.06686	2.1
306.07614	11.7
307.08521	2.9
308.05371	0.7
308.08881	0.8
310.10889	0.6
318.07529	1.0
319.08322	4.8
320.09103	12.8
322.10590	0.8
323.07886	4.4
333.06281	8.4
334.07037	11.0
334.10770	8.4
335.11148	2.1
336.12173	2.4
340.05630	0.6
346.06937	1.1
348.08676	0.9
410.10083	0.7
411.11136	0.8
412.11771	2.8
414.09674	7.9
426.09521	0.7
428.11121	10.0
429.12082	0.7
439.10483	0.6
440.11368	2.5
442.09109	20.2
443.10013	1.0
456.10297	6.7
457.11148	6.9
472.13831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75423	0.5
56.00715	0.4
70.25303	0.6
79.93401	0.5
98.63064	0.5
98.63789	0.5
101.38847	0.6
137.02371	0.7
147.87819	0.5
161.06017	1.2
215.65703	0.6
223.36932	0.7
278.08212	0.9
284.71658	0.6
291.08981	3.8
292.09756	0.7
305.06754	1.3
306.07529	11.3
307.08392	0.7
318.07721	3.0
319.08383	3.9
320.09167	14.5
321.09631	1.0
323.07779	5.5
333.06339	10.0
334.07071	12.0
334.10773	3.9
335.07727	0.7
336.12158	3.0
346.07126	2.6
348.08545	1.2
398.10376	0.7
400.12042	0.9
410.10001	0.8
411.10950	1.3
412.11896	2.2
414.09824	9.1
426.09628	2.1
428.11273	10.6
429.11972	3.2
439.10727	1.0
440.11295	3.3
442.09186	23.2
444.11142	0.6
456.10715	7.4
457.11496	4.4
472.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36628	0.3
58.06581	0.4
66.96894	0.3
83.73938	0.3
101.19632	0.3
137.02364	1.9
141.79692	0.3
212.48148	0.4
243.81680	0.4
284.29797	0.4
292.09738	1.5
307.08447	0.4
308.12766	0.6
318.07825	0.8
319.08365	1.6
320.09146	3.3
321.10150	0.5
322.10718	0.7
334.10825	3.2
335.11307	0.6
336.12292	4.1
398.10092	0.4
399.10876	0.5
400.11481	0.5
411.10846	0.5
414.09625	0.8
426.09229	0.4
427.10791	3.6
428.11215	10.5
440.11365	0.7
442.09210	3.5
444.14325	1.4
456.10773	41.7
457.11481	7.6
470.65482	0.4
472.13928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75856	0.4
57.25538	0.4
58.06595	3.8
67.23578	0.4
69.33657	0.4
77.34954	0.4
107.77753	0.4
120.92210	0.5
137.02371	0.5
186.18219	0.5
247.34233	0.6
273.12241	0.9
278.08109	0.6
291.08661	1.8
292.09464	2.3
306.07635	1.0
307.08328	2.9
308.12787	0.7
318.07553	1.0
319.08112	3.8
320.08844	8.4
321.09769	3.8
322.10596	4.1
334.10641	4.8
335.11047	8.1
336.12274	14.9
414.09708	0.6
426.09464	4.1
427.10571	2.2
428.11282	9.3
440.11383	0.7
442.09247	3.5
444.14612	0.7
456.10748	34.1
457.11606	7.6
472.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94870	0.4
71.73038	0.4
97.52823	0.4
105.24316	0.5
121.69797	0.6
128.58559	0.5
191.07057	0.7
193.08669	0.7
201.05467	0.8
215.85278	0.5
221.07979	0.5
294.11371	0.6
305.08319	0.6
307.08420	0.6
320.08963	0.8
321.10052	0.9
334.07162	1.0
334.10764	0.6
336.12323	0.7
386.10400	0.7
414.09686	6.6
428.11261	0.8
429.12027	7.6
440.11182	0.6
442.09000	3.5
456.10513	1.0
457.06656	1.4
457.11548	70.5
472.13971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75423	0.5
56.00715	0.4
70.25303	0.6
79.93401	0.5
98.63064	0.5
98.63789	0.5
101.38847	0.6
137.02371	0.7
147.87819	0.5
161.06017	1.2
215.65703	0.6
223.36932	0.7
278.08212	0.9
284.71658	0.6
291.08981	3.8
292.09756	0.7
305.06754	1.3
306.07529	11.3
307.08392	0.7
318.07721	3.0
319.08383	3.9
320.09167	14.5
321.09631	1.0
323.07779	5.5
333.06339	10.0
334.07071	12.0
334.10773	3.9
335.07727	0.7
336.12158	3.0
346.07126	2.6
348.08545	1.2
398.10376	0.7
400.12042	0.9
410.10001	0.8
411.10950	1.3
412.11896	2.2
414.09824	9.1
426.09628	2.1
428.11273	10.6
429.11972	3.2
439.10727	1.0
440.11295	3.3
442.09186	23.2
444.11142	0.6
456.10715	7.4
457.11496	4.4
472.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75856	0.4
57.25538	0.4
58.06595	3.8
67.23578	0.4
69.33657	0.4
77.34954	0.4
107.77753	0.4
120.92210	0.5
137.02371	0.5
186.18219	0.5
247.34233	0.6
273.12241	0.9
278.08109	0.6
291.08661	1.8
292.09464	2.3
306.07635	1.0
307.08328	2.9
308.12787	0.7
318.07553	1.0
319.08112	3.8
320.08844	8.4
321.09769	3.8
322.10596	4.1
334.10641	4.8
335.11047	8.1
336.12274	14.9
414.09708	0.6
426.09464	4.1
427.10571	2.2
428.11282	9.3
440.11383	0.7
442.09247	3.5
444.14612	0.7
456.10748	34.1
457.11606	7.6
472.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91642	0.2
54.34145	0.2
59.88960	0.2
60.48743	0.2
65.61288	0.2
67.03880	0.2
67.90804	0.2
77.74713	0.2
81.28044	0.2
94.77634	0.2
95.92593	0.2
121.35329	0.2
135.31194	0.2
143.77422	0.2
153.53801	0.2
222.50778	0.2
295.08353	12.4
310.10718	100.0
312.83759	0.3
349.96069	0.3
472.16010	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
100.98232	0.4
151.51321	0.4
169.06953	0.4
198.95372	0.4
295.08371	11.2
310.10718	100.0
472.16022	28.4
472.22784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21838	0.2
60.32254	0.3
77.46708	0.2
80.54227	0.2
85.02874	0.3
85.50446	0.2
98.06026	0.2
119.04908	0.3
147.04437	0.5
175.03891	1.7
176.07072	0.5
181.32751	0.2
194.08057	0.3
207.06548	2.6
295.08426	11.1
310.10715	100.0
328.21490	0.3
386.02786	0.2
389.82068	0.3
401.09283	0.3
436.15948	0.4
454.16907	0.5
472.16052	25.8
474.80786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21838	0.2
60.32254	0.3
77.46708	0.2
80.54227	0.2
85.02874	0.3
85.50446	0.2
98.06026	0.2
119.04908	0.3
147.04437	0.5
175.03891	1.7
176.07072	0.5
181.32751	0.2
194.08057	0.3
207.06548	2.6
295.08426	11.1
310.10715	100.0
328.21490	0.3
386.02786	0.2
389.82068	0.3
401.09283	0.3
436.15948	0.4
454.16907	0.5
472.16052	25.8
474.80786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86549	0.3
53.03925	0.5
55.01851	0.8
58.10327	0.3
60.65760	0.3
66.17101	0.4
68.65560	0.3
69.03387	0.5
72.28876	0.4
72.42619	0.3
77.97347	0.3
78.33571	0.3
81.03425	0.7
85.02876	1.5
97.02812	1.8
97.03400	0.4
99.04443	3.9
109.02843	2.5
110.30492	0.4
116.07093	0.4
121.06495	0.4
127.03877	1.8
134.05957	0.5
144.31519	0.4
145.02808	2.1
145.05051	0.4
147.04350	2.2
162.40041	0.4
175.03876	5.1
176.07001	0.7
177.05455	22.4
189.35387	0.4
194.02768	0.4
194.08052	0.7
195.06557	0.6
199.06007	1.5
203.07008	0.4
207.06523	5.3
217.07112	1.5
221.08138	0.4
267.08661	0.4
275.09229	0.8
293.10248	0.6
295.08371	12.3
310.10706	100.0
339.10706	0.6
354.40784	0.4
364.11685	0.6
372.12381	1.5
390.13303	2.7
394.12857	0.5
408.14377	1.9
419.13519	0.6
436.15891	0.6
437.14435	3.3
454.16617	0.7
472.16083	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15771	0.3
57.60061	0.3
68.52959	0.4
69.27048	0.4
79.62511	0.4
86.06049	0.3
87.04469	0.5
90.15722	0.4
97.56736	0.4
119.04939	0.7
147.04350	1.9
148.07445	0.4
175.03922	6.0
176.07071	0.9
194.08141	0.7
207.06506	5.5
227.73300	0.4
230.10449	0.5
295.08389	12.2
310.10721	100.0
415.17191	0.4
436.15897	2.6
454.16858	2.6
472.16098	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43073	0.3
61.76361	0.2
62.50436	0.3
65.77464	0.3
70.06613	0.6
85.02927	0.6
87.04484	0.6
98.06062	0.4
102.22936	0.3
109.02887	0.4
119.04949	1.6
130.08685	0.3
134.06073	0.7
147.04411	2.4
156.07822	0.4
171.57887	0.3
175.03899	8.0
175.05336	0.5
176.07059	3.0
182.08069	0.4
194.08163	1.8
207.06526	9.4
208.09818	0.3
212.09114	0.6
265.11801	0.7
295.08374	10.9
310.10727	100.0
436.15894	1.3
454.17307	2.9
472.15958	26.4
472.34653	0.4
494.08704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	2.0
86.09617	0.3
88.07600	0.3
119.04898	0.3
123.05422	0.2
147.04399	1.2
148.04706	0.3
164.07051	0.3
175.03894	1.9
176.07077	0.3
177.05502	1.6
207.06532	2.3
295.08383	12.5
295.11670	0.5
310.10724	100.0
370.92526	0.3
407.00510	0.2
436.16110	0.5
442.12448	0.3
454.17102	1.0
472.16031	25.7
472.34341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	2.0
86.09617	0.3
88.07600	0.3
119.04898	0.3
123.05422	0.2
147.04399	1.2
148.04706	0.3
164.07051	0.3
175.03894	1.9
176.07077	0.3
177.05502	1.6
207.06532	2.3
295.08383	12.5
295.11670	0.5
310.10724	100.0
370.92526	0.3
407.00510	0.2
436.16110	0.5
442.12448	0.3
454.17102	1.0
472.16031	25.7
472.34341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.1
60.12626	0.5
83.72385	0.6
90.02644	0.6
92.20874	0.6
99.04462	1.2
100.06557	0.6
112.97897	0.7
157.29102	0.6
162.10660	0.7
177.05482	1.2
207.06516	1.0
211.92738	0.6
295.08334	11.5
296.13849	1.0
310.10712	100.0
313.15543	0.6
332.09039	0.9
333.13535	0.6
346.10620	0.8
347.11612	1.3
348.12576	0.6
349.09253	0.9
349.13120	0.9
350.10214	1.0
362.10043	1.0
362.14063	1.3
363.11041	1.3
364.11646	4.4
372.12256	11.7
375.11050	2.9
376.11905	0.8
377.12418	0.8
390.13351	12.4
394.12668	0.9
408.14377	10.7
454.15063	0.8
472.15970	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
73.08240	0.4
120.08126	0.4
135.30032	0.4
142.21030	0.4
143.72672	0.3
153.85339	0.4
169.73459	0.4
208.09741	0.4
271.20068	0.6
279.08832	0.9
291.08289	1.4
292.09622	1.8
294.11316	0.9
303.08350	0.5
305.06314	0.6
307.08392	12.4
318.07629	0.7
319.08344	3.7
320.08954	11.2
321.09979	4.9
322.10730	100.0
334.10754	5.6
334.21707	0.4
335.11063	9.8
336.12286	41.9
428.11221	0.4
456.10330	0.5
472.16827	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25209	0.3
63.35698	0.3
92.81570	0.3
142.38493	0.3
152.58742	0.3
176.74968	0.4
292.09656	11.1
304.09628	2.1
306.07599	4.2
320.09158	13.8
321.09943	29.1
327.81256	0.4
332.04990	0.4
336.12299	100.0
398.61859	0.4
472.17734	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36990	0.4
54.87726	0.5
66.62572	0.5
70.31036	0.4
114.54435	0.5
131.23889	0.5
165.14125	0.5
166.55644	0.5
285.76508	0.6
290.08145	1.9
292.09393	0.9
306.07510	2.6
307.08517	0.9
318.07672	1.0
319.08548	4.1
319.11884	0.6
320.09180	13.9
321.09756	0.7
322.10709	2.0
333.06281	0.9
334.07080	1.2
334.10672	12.5
335.11218	1.0
336.12225	1.1
347.11423	2.1
348.12253	10.7
358.10733	1.0
371.15182	1.3
381.13428	0.7
399.14658	3.1
414.13669	0.7
427.14148	2.8
428.10291	2.2
428.15811	5.2
439.09756	0.7
440.11093	0.9
442.08963	3.2
442.13748	1.5
456.14758	27.8
457.15347	18.3
472.18008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36990	0.4
54.87726	0.5
66.62572	0.5
70.31036	0.4
114.54435	0.5
131.23889	0.5
165.14125	0.5
166.55644	0.5
285.76508	0.6
290.08145	1.9
292.09393	0.9
306.07510	2.6
307.08517	0.9
318.07672	1.0
319.08548	4.1
319.11884	0.6
320.09180	13.9
321.09756	0.7
322.10709	2.0
333.06281	0.9
334.07080	1.2
334.10672	12.5
335.11218	1.0
336.12225	1.1
347.11423	2.1
348.12253	10.7
358.10733	1.0
371.15182	1.3
381.13428	0.7
399.14658	3.1
414.13669	0.7
427.14148	2.8
428.10291	2.2
428.15811	5.2
439.09756	0.7
440.11093	0.9
442.08963	3.2
442.13748	1.5
456.14758	27.8
457.15347	18.3
472.18008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25209	0.3
63.35698	0.3
92.81570	0.3
142.38493	0.3
152.58742	0.3
176.74968	0.4
292.09656	11.1
304.09628	2.1
306.07599	4.2
320.09158	13.8
321.09943	29.1
327.81256	0.4
332.04990	0.4
336.12299	100.0
398.61859	0.4
472.17734	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74339	0.2
57.11478	0.2
171.46245	0.3
194.71371	0.3
290.08139	5.3
308.08984	0.3
318.07605	100.0
320.09183	2.3
334.10568	0.7
336.12268	0.4
371.36179	0.3
407.38098	0.3
420.68030	0.3
449.98196	0.4
472.17526	56.6
474.04810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29937	1.0
50.36370	1.1
53.38236	1.2
57.15179	1.1
62.88847	1.1
68.63001	1.3
86.99940	1.5
109.10155	1.4
134.70654	1.3
139.87704	1.3
158.72171	1.5
216.87233	1.3
240.07948	1.3
248.67159	1.3
325.73300	1.5
331.49728	1.3
358.07089	72.3
374.10175	7.6
386.06387	2.1
400.08301	9.9
410.14145	2.9
424.11716	5.5
428.15121	11.9
438.13242	7.8
442.12744	10.1
454.16348	6.3
456.14496	15.3
457.15359	5.3
472.17572	100.0
472.35342	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30296	0.7
60.31062	0.6
68.74130	0.6
69.07076	0.7
71.48452	0.6
81.07061	1.2
86.07003	0.7
93.07028	0.9
93.61637	0.7
108.17239	0.9
109.10195	1.0
181.74916	0.8
183.61676	0.7
236.14890	1.3
285.14648	1.0
315.16071	0.9
330.07626	4.6
349.49765	0.8
355.19064	8.1
358.07101	36.2
359.07947	4.0
360.08508	1.6
368.09052	2.9
373.09302	6.2
382.10959	1.0
386.06140	7.1
386.10736	5.3
396.08701	3.8
400.11948	1.2
405.07309	0.8
412.15622	3.4
414.09521	24.6
428.15216	1.9
440.15091	4.2
442.12912	3.4
472.17590	100.0
472.36383	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36276	0.9
59.52173	0.9
80.18173	0.8
83.39006	1.0
117.13815	0.9
121.02838	1.3
122.47672	1.0
137.05927	7.0
171.56367	1.0
177.09129	1.1
247.94315	1.1
292.09656	3.7
306.07654	1.4
307.11908	1.9
308.09174	1.4
318.07629	4.1
319.08627	2.5
320.09149	55.1
322.10620	8.9
334.10803	8.1
336.08746	3.1
336.12326	22.6
339.10980	3.8
350.10239	13.8
364.11655	1.5
411.14621	1.4
412.15686	1.4
414.13574	10.7
428.10376	2.0
428.14978	7.0
440.10693	1.9
442.13318	21.7
444.14069	1.2
456.14874	15.2
457.15121	5.2
472.18100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
128.70399	0.4
131.16751	0.5
185.80908	0.4
192.63885	0.5
202.92906	0.4
248.56609	0.5
259.46338	0.5
285.51208	0.4
290.08066	5.9
308.86700	0.5
316.05893	0.8
318.07605	100.0
319.08337	0.5
320.09161	9.0
321.09766	0.4
334.10834	0.9
361.29327	0.5
472.17490	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	4.4
70.54528	0.5
103.01079	0.7
103.22463	0.6
109.44855	0.6
139.49248	0.6
173.10144	0.6
177.05518	0.7
178.51944	0.6
189.79971	0.7
273.12253	0.9
279.08777	1.4
290.08023	0.8
292.09702	9.0
304.06021	0.8
304.09512	1.0
305.06543	1.1
306.07556	3.5
307.08292	10.8
318.07794	0.7
319.08316	5.8
320.09048	19.2
321.09946	26.3
322.06787	1.2
322.10718	88.0
334.10672	9.2
335.11005	11.9
336.12271	100.0
379.75272	0.6
457.11362	1.1
472.15756	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77103	0.4
58.06594	1.7
110.67909	0.3
182.46065	0.4
278.08047	0.5
290.07800	0.6
291.08514	0.5
292.09653	9.8
292.65512	0.4
304.06268	0.4
304.09753	1.6
306.07663	3.2
307.08405	3.3
319.08154	2.8
320.09119	12.7
321.09937	27.1
322.10724	22.6
334.10587	4.3
335.11166	4.6
336.12274	100.0
457.11545	2.5
472.13028	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54799	0.3
51.01225	0.3
51.49162	0.3
55.81301	0.4
70.44517	0.3
71.65507	0.3
83.31613	0.4
87.90268	0.3
91.50924	0.3
107.30132	0.4
122.14989	0.4
265.25516	0.4
292.09647	10.8
304.09683	2.2
306.07608	4.0
307.08365	1.5
320.09116	15.6
321.09937	26.6
322.10678	6.4
334.10602	0.7
335.11053	2.0
336.12277	100.0
414.10925	0.4
472.15768	3.0
472.22409	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25209	0.3
63.35698	0.3
92.81570	0.3
142.38493	0.3
152.58742	0.3
176.74968	0.4
292.09656	11.1
304.09628	2.1
306.07599	4.2
320.09158	13.8
321.09943	29.1
327.81256	0.4
332.04990	0.4
336.12299	100.0
398.61859	0.4
472.17734	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	6.4
61.41461	0.6
73.87206	0.6
87.13626	0.7
87.16721	0.6
110.07161	11.4
120.08090	1.3
124.11782	0.7
278.08234	1.3
292.09595	9.2
304.06152	0.7
304.09818	1.3
306.07706	3.8
307.08386	14.5
319.08322	4.5
320.09140	15.7
321.09952	28.1
322.10721	86.3
334.10989	6.4
335.11011	4.3
336.12286	100.0
340.83008	0.8
347.24982	0.7
356.01938	0.8
426.09885	1.4
428.11020	3.1
437.25916	0.8
442.08875	1.0
454.09109	13.4
456.10574	1.7
457.11429	4.6
459.75702	0.9
472.09793	4.8
472.14944	13.9
472.22058	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23903	0.8
55.01902	0.8
61.81172	0.9
63.02400	0.8
71.20392	0.8
81.03422	3.8
84.04521	1.4
85.02900	4.2
86.06058	4.4
87.04028	1.0
87.04444	9.2
91.05478	4.3
96.04494	1.1
98.06076	8.2
99.04416	1.2
104.07137	1.3
106.06553	1.4
109.02901	1.7
111.04441	1.1
119.04925	14.0
124.07585	1.6
125.04725	3.5
126.05528	1.5
128.06981	1.1
134.06000	5.9
138.09145	1.1
140.07008	1.0
141.85585	1.1
145.02809	1.0
147.04407	23.4
148.07533	1.7
166.08632	2.4
175.03894	84.6
176.07065	20.8
182.08157	1.8
194.08134	14.9
207.06516	100.0
212.09148	10.8
230.10248	4.8
240.17059	1.2
248.11322	8.5
266.12497	1.5
436.16028	29.3
454.17001	33.9
472.18045	27.5
476.75986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01680	0.6
54.53532	0.8
55.01876	1.5
62.75009	0.7
69.03434	1.0
70.06594	1.4
77.90202	0.6
81.03429	3.2
84.04505	1.1
85.02907	3.7
86.06090	5.3
87.04478	10.0
87.43826	0.8
91.05487	6.3
97.02897	2.9
98.06044	7.3
99.04491	1.3
104.07099	1.5
106.06590	2.6
108.04485	0.9
109.02879	3.3
110.06044	1.2
111.04450	1.0
114.29795	0.7
116.07083	3.4
119.04945	19.1
120.08139	1.2
124.07585	3.1
125.04740	3.3
126.05522	2.8
128.07069	0.8
134.06052	5.9
138.09164	0.9
147.04411	23.8
148.07584	5.5
152.07062	1.0
157.03970	1.7
166.08633	4.2
175.03900	98.9
176.07065	22.6
179.07008	1.5
182.08067	1.2
194.08113	21.4
207.06523	100.0
212.09160	12.3
230.10185	5.5
248.11314	8.4
266.12427	1.2
311.07233	0.8
436.16016	39.9
454.17032	24.8
472.11539	1.3
472.18137	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72546	1.0
54.51327	1.0
55.01878	1.7
57.59931	1.0
59.04370	1.0
59.49745	1.3
60.31556	1.1
62.43193	1.2
69.03436	2.5
70.06593	2.3
81.03423	7.1
85.02909	8.8
86.06030	4.8
87.04459	8.4
91.05474	2.7
97.02887	7.0
98.06052	9.0
99.04461	5.9
106.06568	1.5
108.04519	1.4
108.08128	1.3
109.02892	6.9
110.07146	12.5
116.07104	3.0
119.04948	13.1
121.72917	1.3
121.83498	1.3
125.04704	2.5
126.05521	2.5
127.03909	2.5
130.08485	1.4
134.06006	7.7
138.09094	1.5
142.89322	1.4
145.02852	2.6
147.04419	34.3
147.05574	1.4
148.04726	5.2
148.07588	2.1
152.07066	2.4
156.07678	2.9
162.05612	1.6
164.47223	1.6
166.08679	2.8
170.08195	1.5
175.03888	94.8
176.07043	21.7
177.05455	23.9
182.08130	2.3
194.08136	15.2
207.06519	100.0
212.09209	12.5
217.07100	4.9
230.10283	5.5
248.11331	9.8
266.12466	1.6
275.09073	1.4
310.10202	2.0
343.61295	1.4
375.02005	1.3
436.15982	34.6
437.14441	2.5
454.17038	31.4
467.69965	1.6
472.17841	33.9
472.23477	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93002	0.8
53.03954	1.3
55.01875	5.7
55.60342	0.9
57.03156	0.9
58.06600	4.7
58.71086	0.8
62.47245	0.9
65.88849	1.0
69.03426	6.2
70.06568	1.0
73.02898	1.7
77.18388	1.0
78.15956	1.0
81.03421	5.7
84.08099	1.5
84.74611	0.9
85.02892	4.7
87.04433	1.4
97.02885	5.8
99.04450	20.1
106.81685	1.0
109.02888	16.5
113.89726	1.1
116.07121	1.7
127.03886	8.5
128.87900	1.2
137.05968	2.2
145.02876	12.0
147.04266	1.3
175.03932	2.4
177.05469	100.0
195.06546	6.5
199.06018	5.7
203.06917	1.2
207.06529	4.8
217.07048	7.5
233.08011	2.0
240.15355	1.4
275.09119	6.9
279.61212	1.1
293.10208	4.2
310.10767	16.2
339.10587	4.4
340.18683	1.2
357.92554	1.2
364.11536	1.6
366.09778	2.2
372.12314	4.7
390.13245	2.0
408.14297	4.3
415.91965	1.3
419.13254	1.4
419.24304	1.2
436.14029	1.2
437.14508	17.4
454.15387	1.7
472.15631	28.8
472.24844	4.5
472.34387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	1.1
62.67284	0.4
75.75971	0.4
86.06068	1.1
87.04441	2.7
91.05490	1.0
98.06017	1.8
109.02908	0.6
119.04150	0.5
119.04902	3.9
125.04743	0.9
126.05479	0.6
134.05991	0.8
147.04384	6.0
157.03957	0.6
166.08577	0.7
175.03899	21.2
176.07010	4.6
187.78952	0.5
190.08504	0.5
194.08089	3.9
205.97603	0.6
207.06531	24.3
208.09627	0.6
212.09212	2.6
230.10213	1.1
244.70969	0.5
248.11290	2.2
260.08832	0.5
294.68945	0.5
295.08408	13.3
308.08752	0.6
309.10025	0.7
309.48328	0.5
310.10703	100.0
323.11093	1.0
324.11813	0.6
334.10706	1.7
375.65790	0.6
428.22491	2.0
436.15952	7.6
454.17139	6.6
472.11078	3.9
472.16312	24.1
472.33582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
65.38695	0.6
69.03414	1.1
70.06580	3.0
75.60217	0.6
79.05499	1.7
81.03423	3.0
84.04530	1.0
85.02908	4.8
86.06065	4.6
87.04483	10.2
88.12923	0.7
91.05483	5.8
92.21526	0.7
97.02879	3.4
98.06049	9.5
104.07144	1.0
106.06541	2.8
109.02891	4.2
111.04433	0.8
116.07130	1.5
119.04939	13.9
124.07644	2.7
125.04723	3.8
126.05507	2.8
126.22472	0.8
127.03871	1.1
134.05975	6.6
138.09177	1.0
140.07072	1.5
144.06531	0.9
147.04405	23.7
148.07587	4.5
157.03987	1.8
164.08299	0.7
166.08597	4.4
175.03894	91.1
176.07060	25.8
177.05486	0.9
182.08112	3.9
194.08104	19.8
207.06517	100.0
212.09187	13.5
230.10252	6.2
248.11244	8.4
372.11942	1.1
390.13321	1.4
408.14285	1.2
436.16010	43.6
454.17050	24.8
472.17877	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
54.26102	0.7
57.03440	1.0
57.07064	0.8
60.92719	0.9
62.42156	0.7
63.35950	0.8
69.03428	6.1
70.06607	0.9
71.05005	1.5
72.16291	0.9
81.03420	18.2
85.02904	11.7
91.64526	1.0
92.84124	1.0
93.12981	1.1
97.02898	7.3
99.04455	100.0
109.02867	4.3
117.05432	1.1
119.04931	1.0
125.05994	6.1
127.03909	5.2
137.05992	12.0
145.04971	1.4
149.05978	49.3
153.05464	56.2
160.84654	1.0
166.08624	43.3
176.07129	1.2
177.05443	5.1
178.08586	1.2
190.08572	3.7
195.06517	60.0
208.09639	1.4
211.10701	2.2
212.09164	76.2
212.10916	3.2
228.10153	1.5
236.09280	1.1
254.10286	3.4
256.09732	3.8
266.35281	1.1
274.10675	3.3
302.10162	6.4
320.11057	1.0
418.15039	1.9
430.98965	1.0
436.15616	6.1
454.17087	10.9
472.17953	15.6
485.21182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35816	0.6
55.01883	1.7
68.55375	0.7
70.06597	1.3
75.62483	0.7
79.05514	0.8
81.03400	1.7
85.02907	3.9
86.06075	4.2
87.04488	8.6
91.05462	6.2
97.02894	1.7
98.06049	9.5
106.06579	1.4
108.73730	0.7
109.02875	3.1
110.06065	0.9
119.04941	17.0
124.07549	2.0
125.04752	4.7
126.05526	3.7
127.03938	0.9
128.07103	1.4
134.06058	5.8
138.09134	1.0
140.07106	1.5
147.04410	24.0
148.07555	3.3
157.03986	1.1
166.08647	4.0
175.03899	91.4
176.07051	21.2
182.08092	3.9
194.08125	17.7
207.06525	100.0
212.09200	11.3
230.10266	5.4
248.11275	9.0
266.12418	0.9
279.09015	0.9
291.13950	0.9
436.15994	41.0
454.17123	27.0
472.18158	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
55.99536	0.7
58.06599	0.9
81.03445	0.7
85.02926	1.6
87.04459	0.9
91.05475	1.1
91.55998	0.6
98.06052	1.6
99.04441	1.0
99.53696	0.7
101.36374	0.7
109.02843	0.8
116.07072	1.5
119.04961	3.1
121.06488	0.9
134.05997	0.8
147.04404	6.0
148.07744	0.8
149.75656	0.7
164.07094	1.1
175.03891	17.9
176.07045	3.4
177.05449	3.9
191.10606	0.7
192.84007	0.9
194.08104	5.7
207.06532	20.2
243.72182	0.8
248.11530	0.8
251.03070	0.7
280.09750	1.2
295.08554	7.8
295.12006	100.0
310.10709	69.8
310.14362	38.1
424.16248	1.0
436.15759	4.5
454.16989	5.7
457.17480	1.0
472.20294	51.3
472.34152	1.5
480.20398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29974	0.4
56.40065	0.3
57.42386	0.3
57.66025	0.3
57.70821	0.3
60.36405	0.3
67.38373	0.4
74.11855	0.4
77.91908	0.3
89.47430	0.4
292.09882	0.4
293.91855	0.4
299.13898	0.4
307.11926	0.6
307.62674	0.4
308.12793	13.3
318.47827	0.4
320.09146	2.3
320.12823	3.0
321.10034	0.6
322.10675	6.5
323.11490	0.4
333.53494	0.4
334.10654	0.5
336.12277	20.4
337.13065	33.2
352.15427	100.0
355.09680	0.4
465.34796	0.4
472.16846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29974	0.4
56.40065	0.3
57.42386	0.3
57.66025	0.3
57.70821	0.3
60.36405	0.3
67.38373	0.4
74.11855	0.4
77.91908	0.3
89.47430	0.4
292.09882	0.4
293.91855	0.4
299.13898	0.4
307.11926	0.6
307.62674	0.4
308.12793	13.3
318.47827	0.4
320.09146	2.3
320.12823	3.0
321.10034	0.6
322.10675	6.5
323.11490	0.4
333.53494	0.4
334.10654	0.5
336.12277	20.4
337.13065	33.2
352.15427	100.0
355.09680	0.4
465.34796	0.4
472.16846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29974	0.4
56.40065	0.3
57.42386	0.3
57.66025	0.3
57.70821	0.3
60.36405	0.3
67.38373	0.4
74.11855	0.4
77.91908	0.3
89.47430	0.4
292.09882	0.4
293.91855	0.4
299.13898	0.4
307.11926	0.6
307.62674	0.4
308.12793	13.3
318.47827	0.4
320.09146	2.3
320.12823	3.0
321.10034	0.6
322.10675	6.5
323.11490	0.4
333.53494	0.4
334.10654	0.5
336.12277	20.4
337.13065	33.2
352.15427	100.0
355.09680	0.4
465.34796	0.4
472.16846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11296	0.7
58.06607	3.6
60.08176	8.5
64.88932	0.7
69.03432	1.2
72.08170	5.7
73.02911	3.3
79.00997	0.8
81.03438	3.3
85.02908	3.3
86.06078	1.0
86.09737	1.2
87.04452	1.6
90.09156	0.9
97.02887	1.0
98.06060	1.5
99.04481	1.2
104.07112	0.8
104.10746	33.3
109.02910	0.9
119.04969	5.3
147.04411	7.4
164.07025	1.0
175.03902	31.2
177.05460	3.5
182.08133	1.9
207.06519	55.0
260.52954	0.8
295.08521	1.1
308.09100	7.9
309.09512	11.4
310.09918	20.7
310.14331	5.1
351.10751	1.5
361.85110	1.0
372.11990	0.9
441.13498	0.8
454.17050	4.1
456.18900	1.3
457.19589	3.3
472.15292	18.1
472.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11296	0.7
58.06607	3.6
60.08176	8.5
64.88932	0.7
69.03432	1.2
72.08170	5.7
73.02911	3.3
79.00997	0.8
81.03438	3.3
85.02908	3.3
86.06078	1.0
86.09737	1.2
87.04452	1.6
90.09156	0.9
97.02887	1.0
98.06060	1.5
99.04481	1.2
104.07112	0.8
104.10746	33.3
109.02910	0.9
119.04969	5.3
147.04411	7.4
164.07025	1.0
175.03902	31.2
177.05460	3.5
182.08133	1.9
207.06519	55.0
260.52954	0.8
295.08521	1.1
308.09100	7.9
309.09512	11.4
310.09918	20.7
310.14331	5.1
351.10751	1.5
361.85110	1.0
372.11990	0.9
441.13498	0.8
454.17050	4.1
456.18900	1.3
457.19589	3.3
472.15292	18.1
472.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05595	2.3
61.41143	2.1
67.05507	4.6
69.07076	31.4
72.22778	2.3
79.67196	2.6
81.07053	5.0
83.66020	2.1
92.21501	2.7
93.07039	5.8
95.08630	3.2
107.08597	5.9
109.10157	21.0
112.45579	2.4
121.10136	3.0
128.25505	2.3
135.11707	3.5
185.09642	13.1
188.88051	2.7
201.09145	9.2
213.09071	24.5
215.10623	4.5
225.08969	3.2
227.10628	17.8
229.08623	13.8
231.10127	14.2
241.08560	26.3
253.12122	5.1
255.10175	5.4
259.09662	49.0
269.15262	38.4
273.11176	4.7
281.11682	3.2
295.05457	2.6
299.12799	15.4
313.14236	3.1
315.15900	100.0
335.20166	17.0
353.21442	3.0
381.20569	58.6
437.26828	16.6
472.17191	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76688	3.0
60.05114	3.1
67.05489	5.8
69.07077	29.8
72.91273	3.2
81.07047	6.8
82.07412	3.4
82.23333	4.0
83.08619	4.9
85.10184	3.7
93.07049	4.4
93.19669	3.1
95.08599	6.0
107.08591	41.4
109.10176	8.8
125.09628	34.5
134.21608	3.5
151.74039	3.9
185.09581	24.8
187.07385	3.8
201.09068	6.3
213.09119	23.9
215.10632	4.7
227.10576	8.0
229.08725	7.9
231.10216	20.2
236.43106	3.8
241.08580	23.2
255.10103	3.7
256.14731	3.6
259.09686	59.4
269.15369	39.0
297.14835	4.9
313.14417	5.4
315.15866	100.0
335.19958	7.7
336.12418	8.1
353.21188	19.6
360.22263	3.9
377.14148	3.9
381.20685	57.9
437.26974	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.6
57.03439	2.6
57.07063	1.6
58.06606	15.0
59.07122	0.4
59.07383	4.6
60.08175	5.6
64.03812	0.3
66.64278	0.2
67.05180	0.3
67.05510	6.9
69.07062	6.0
71.08603	0.3
71.35905	0.3
75.04455	1.3
77.47545	0.3
79.05471	0.7
81.07062	5.1
83.08219	0.3
83.08625	5.7
84.08126	0.4
85.02892	0.7
87.04449	1.6
92.00859	0.3
93.07026	2.2
95.08598	5.6
97.06506	0.4
97.10134	1.9
102.05532	0.4
102.09211	0.5
105.05532	0.5
105.07024	0.4
107.08578	1.9
109.10155	15.6
111.11703	1.2
113.05985	0.7
119.37843	0.3
121.10126	1.9
123.11683	2.7
131.07014	1.5
135.11668	2.5
137.13232	2.0
144.10194	10.0
151.14760	0.5
161.05956	0.7
162.11243	1.6
187.07570	1.5
197.09508	0.5
199.07582	0.5
201.09074	2.6
213.09169	0.7
215.10619	1.6
218.13864	0.6
225.09071	0.6
227.10619	3.5
229.08647	0.5
236.14909	100.0
237.12727	0.5
239.06898	0.4
239.10637	1.4
239.14339	0.4
241.08566	0.4
241.12169	1.7
245.38110	0.3
247.09566	1.3
251.07054	0.5
251.10614	0.3
251.14264	0.6
253.12227	2.2
255.10088	1.3
255.13809	1.7
256.26282	1.7
257.26678	2.0
265.12207	1.2
266.13116	0.4
267.10217	0.6
267.13666	0.8
269.08316	0.4
269.12314	0.7
269.15332	9.6
279.10318	0.6
279.13794	1.4
281.11703	0.8
281.15161	0.6
283.09503	0.4
285.11316	0.8
287.12686	0.8
293.15366	1.3
297.14841	4.3
299.12845	1.9
309.14798	0.3
311.12778	0.7
311.25763	1.2
313.14240	0.6
315.15872	10.4
321.18454	0.5
327.15872	2.0
335.20123	0.4
353.17505	2.1
355.18994	0.5
367.18973	1.9
367.28494	0.6
369.20569	1.2
379.19263	0.4
381.20267	2.5
391.26260	1.4
395.22214	0.7
410.36218	1.3
437.26825	12.9
438.98965	0.4
454.35187	9.6
472.18048	2.6
472.36298	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.0
57.07070	1.9
58.06606	7.0
60.08160	2.2
66.64893	1.3
67.05511	17.9
69.07073	15.8
70.06572	1.3
70.67188	1.2
74.10677	1.4
77.97208	1.4
81.07059	15.7
83.08617	11.8
88.07637	3.2
91.05501	2.2
93.07044	7.4
95.08601	12.5
97.10195	2.9
107.08586	5.8
109.10159	57.7
123.11716	7.3
135.11722	2.6
144.10226	7.7
149.76907	1.5
185.09642	2.1
187.07590	3.3
192.20815	1.4
196.70546	1.4
199.11230	1.7
201.09177	8.5
203.42287	1.4
213.09047	2.3
215.07246	1.6
215.10725	6.3
222.10497	1.5
223.11162	1.7
225.09163	5.9
225.12764	1.6
226.09770	1.6
227.10670	13.6
227.12587	1.8
229.08531	2.3
236.14909	45.3
237.12781	1.8
239.10722	7.0
240.11397	2.6
241.12250	3.5
242.17744	1.4
243.17908	1.8
247.09669	5.4
251.14349	1.9
253.08652	2.3
253.12296	5.5
255.10190	2.1
255.13855	6.6
256.26382	8.5
257.26627	13.5
265.12204	2.9
267.10306	3.3
267.13760	2.1
269.15356	42.1
273.11212	2.4
279.13855	6.3
281.11771	2.2
281.15054	1.8
285.11316	6.3
293.15421	2.0
297.11600	3.0
297.14926	11.6
299.12863	2.9
301.14465	2.3
309.14822	2.5
311.12769	2.6
313.14230	2.5
315.15842	45.2
325.14359	2.4
327.16000	7.8
353.17554	9.6
355.18942	2.2
363.19534	2.5
367.19244	5.7
369.20474	3.3
374.10172	2.2
379.19128	2.0
381.20389	10.5
391.26181	5.9
419.26016	2.5
428.15085	8.0
437.26837	59.8
454.35257	6.7
456.14151	23.5
457.15179	6.6
472.17593	100.0
472.36331	39.9
472.42114	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07067	1.8
75.52929	0.4
79.05492	1.5
96.08127	14.7
109.58015	0.4
113.10775	2.5
114.09166	9.5
149.10518	0.4
166.15935	0.5
177.05513	0.7
182.76103	0.4
208.18109	0.5
209.16553	4.1
224.15312	0.7
226.19292	0.5
228.13814	1.9
228.15833	0.8
236.65103	2.6
237.14319	7.9
245.65674	0.5
246.14830	4.2
246.65041	0.5
258.64838	0.4
263.17725	0.6
271.69058	0.9
272.18250	0.8
272.66180	1.4
275.67459	0.7
280.69522	0.8
281.19086	0.5
283.13339	1.9
284.18906	0.8
284.68005	7.9
285.17816	0.4
293.19342	2.8
293.68561	16.8
294.18332	2.0
301.14255	0.5
302.19995	0.6
302.69064	0.7
313.49603	0.4
320.08911	0.6
321.26535	0.7
322.24985	2.3
329.20392	0.5
332.21637	0.5
335.22336	0.6
336.11835	0.5
337.24008	0.4
341.22360	1.4
341.71893	0.7
349.73624	2.3
350.22803	6.8
350.72079	0.8
360.19586	0.8
377.22375	0.8
378.20529	2.8
379.19113	0.5
385.74805	0.7
397.76315	1.5
405.23828	0.3
406.27567	0.6
406.76794	3.9
407.27081	0.9
415.28186	0.5
415.77695	0.8
435.33749	0.5
454.30746	2.1
454.80698	0.5
463.31186	13.1
463.81467	0.7
472.31729	100.0
472.81924	14.9
473.27850	1.4
491.29190	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39401	0.9
53.88672	1.1
55.05501	1.0
55.51692	0.9
57.03439	2.4
58.06607	10.4
59.07372	1.8
60.08175	4.3
63.92989	1.1
64.74236	0.9
67.05489	1.1
67.43483	1.1
69.07063	4.9
70.52380	1.0
81.07051	2.5
83.08630	1.5
87.04438	1.2
95.08598	1.1
103.78528	1.3
109.10167	1.5
112.29336	1.0
131.07071	1.3
138.70612	1.1
144.10220	6.6
156.39140	1.5
162.11206	4.1
208.25500	1.1
228.98013	1.4
236.14919	100.0
254.74292	1.2
321.10095	1.6
336.12308	6.6
400.08511	1.9
402.22070	1.3
437.26880	2.2
449.19855	1.4
454.35071	6.8
472.29074	1.8
472.36273	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01054	0.5
55.05513	2.9
57.03445	1.2
57.07085	0.9
58.06606	16.7
59.07379	3.5
60.08174	6.5
67.05505	1.5
69.07069	4.2
75.04494	1.3
79.05518	0.7
81.07043	5.3
81.92155	0.6
83.04990	0.7
83.08636	3.6
85.02919	1.1
86.52045	0.7
87.04459	1.1
88.07642	1.0
93.07034	1.6
95.08591	3.6
99.04513	0.7
101.57302	0.6
105.05506	0.7
107.08618	1.6
109.10148	3.8
113.06020	0.9
119.08618	0.8
121.10135	2.6
123.11686	0.6
125.09644	2.7
131.07030	1.3
135.11702	3.3
137.09631	1.4
144.10225	8.6
162.11214	1.1
227.12825	1.4
227.68478	0.8
236.14922	100.0
242.31660	0.9
256.26370	4.4
257.26685	3.3
269.15381	1.1
270.92908	0.8
311.25818	1.6
315.15622	0.8
320.09216	4.2
454.35574	8.7
472.36334	77.2
472.41812	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87576	0.5
62.92551	0.6
64.00039	0.6
67.59975	0.6
78.62849	0.6
97.85428	0.6
150.06770	0.9
165.09102	4.7
190.08595	0.9
205.05052	1.1
207.12265	0.7
264.89929	0.7
290.08179	10.0
292.09695	4.7
296.08646	1.3
302.08115	2.9
304.06052	10.0
304.09213	1.1
306.07483	1.1
311.10904	1.6
318.07648	15.6
319.08398	57.9
320.09015	12.7
321.09778	10.7
328.90524	0.8
334.10733	100.0
335.11240	6.8
336.12250	66.9
337.11948	1.0
428.14896	1.1
457.14392	0.8
473.13312	25.1
473.17255	14.8
473.24835	1.4
473.27185	1.4
493.76804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35130	0.3
53.03961	5.6
54.18456	0.3
54.88960	0.3
69.03427	1.8
69.71799	0.3
71.04982	1.3
73.02925	7.9
81.03423	15.6
83.04945	0.6
85.02905	6.0
87.04455	1.5
88.15497	0.4
97.02892	2.7
99.04459	100.0
109.02882	16.9
113.06033	0.8
115.03928	11.7
117.05515	1.7
125.02377	0.7
127.03909	9.7
141.05467	15.5
151.04005	0.5
158.54417	0.4
207.06497	5.2
225.07547	5.6
239.09155	2.5
240.84187	0.4
243.08606	5.6
261.09695	1.7
323.11218	9.4
357.11899	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	10.8
62.89426	0.6
70.06593	1.1
76.16014	0.6
81.62906	0.6
84.08143	1.1
85.73337	0.6
86.09698	2.8
110.07159	3.3
129.10210	0.8
136.07587	21.7
292.12988	1.1
296.08987	3.3
309.11255	2.9
310.10867	0.8
311.10724	4.7
400.11703	1.5
414.13538	1.0
418.54681	0.8
428.11246	30.5
442.12708	9.6
445.17493	3.5
456.14310	1.1
473.16983	100.0
473.22803	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	10.8
62.89426	0.6
70.06593	1.1
76.16014	0.6
81.62906	0.6
84.08143	1.1
85.73337	0.6
86.09698	2.8
110.07159	3.3
129.10210	0.8
136.07587	21.7
292.12988	1.1
296.08987	3.3
309.11255	2.9
310.10867	0.8
311.10724	4.7
400.11703	1.5
414.13538	1.0
418.54681	0.8
428.11246	30.5
442.12708	9.6
445.17493	3.5
456.14310	1.1
473.16983	100.0
473.22803	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80791	0.4
72.76893	0.4
81.09157	0.4
86.00056	0.4
90.49879	0.5
91.34423	0.4
149.05968	3.4
152.33159	0.5
258.57599	0.5
274.25452	0.5
292.09634	12.0
304.09570	1.0
306.07507	3.9
320.09143	14.2
321.09924	33.1
336.12274	100.0
344.24286	0.5
428.14795	0.6
429.14401	2.2
441.14694	0.7
443.12231	2.4
457.13928	6.4
458.14716	2.0
473.17010	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	10.8
62.89426	0.6
70.06593	1.1
76.16014	0.6
81.62906	0.6
84.08143	1.1
85.73337	0.6
86.09698	2.8
110.07159	3.3
129.10210	0.8
136.07587	21.7
292.12988	1.1
296.08987	3.3
309.11255	2.9
310.10867	0.8
311.10724	4.7
400.11703	1.5
414.13538	1.0
418.54681	0.8
428.11246	30.5
442.12708	9.6
445.17493	3.5
456.14310	1.1
473.16983	100.0
473.22803	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51523	0.6
56.96559	1.2
67.05508	0.9
69.07073	3.2
70.07402	0.6
81.07078	1.0
107.30934	0.6
109.10175	1.1
135.04539	0.5
136.93109	9.6
143.00549	0.5
145.02850	1.2
154.94157	21.5
159.81725	0.6
170.12956	0.6
172.95226	37.2
177.05467	4.2
190.96266	13.9
192.95796	2.6
195.96838	2.5
202.30345	0.7
210.96786	22.4
210.98793	0.7
212.98309	1.0
213.09183	1.2
213.97813	0.6
214.09415	2.3
216.11156	0.6
227.10645	1.2
228.97829	33.7
229.08681	0.7
230.99446	0.9
233.98431	0.8
241.08455	0.7
242.08900	1.2
246.98880	4.3
256.26321	0.6
259.09665	1.2
260.10071	2.3
270.15610	0.9
273.94437	0.6
315.15933	4.9
316.16205	7.3
317.17975	0.9
319.19412	15.6
335.18927	1.4
337.20480	30.6
355.21692	1.1
360.21851	0.9
375.22238	1.1
382.21011	4.6
399.15994	3.7
417.17166	2.3
438.27426	1.3
455.18674	15.4
473.19818	100.0
473.38947	2.1
491.20822	0.7
496.21326	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1967
Annotation	Paleatin A
Peak:m/z	Relative Intensity
51.67022	0.6
51.82732	0.7
57.27970	0.7
62.30993	0.7
67.05473	0.9
69.07059	1.1
73.42561	0.9
81.07083	1.6
82.57134	0.8
82.62088	1.0
93.06982	0.8
93.26326	0.8
119.08531	1.0
121.10143	1.9
128.10611	0.9
136.93112	9.2
145.02826	11.3
154.94157	22.4
172.95229	36.6
177.05458	20.0
184.13293	3.6
190.96240	13.5
192.95760	3.9
193.75096	0.8
209.14706	0.9
210.96793	22.3
212.98372	1.6
228.15941	8.0
228.97833	31.3
246.98976	4.1
316.44666	1.0
317.17694	0.9
319.19330	15.8
335.18729	1.1
337.20483	33.6
337.24414	1.7
355.21301	1.2
399.16138	4.3
455.18732	17.4
473.19809	100.0
473.39423	7.9
496.21420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67022	0.6
51.82732	0.7
57.27970	0.7
62.30993	0.7
67.05473	0.9
69.07059	1.1
73.42561	0.9
81.07083	1.6
82.57134	0.8
82.62088	1.0
93.06982	0.8
93.26326	0.8
119.08531	1.0
121.10143	1.9
128.10611	0.9
136.93112	9.2
145.02826	11.3
154.94157	22.4
172.95229	36.6
177.05458	20.0
184.13293	3.6
190.96240	13.5
192.95760	3.9
193.75096	0.8
209.14706	0.9
210.96793	22.3
212.98372	1.6
228.15941	8.0
228.97833	31.3
246.98976	4.1
316.44666	1.0
317.17694	0.9
319.19330	15.8
335.18729	1.1
337.20483	33.6
337.24414	1.7
355.21301	1.2
399.16138	4.3
455.18732	17.4
473.19809	100.0
473.39423	7.9
496.21420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2282
Annotation	(-)-11,12-Dimethoxy-N-methoxycarbonyl-kopsinaline
Peak:m/z	Relative Intensity
58.06609	15.8
58.36917	0.7
62.24743	0.7
67.49229	0.7
70.63587	0.7
93.11391	0.8
99.04483	0.8
101.22260	0.7
103.95658	0.7
106.06557	4.1
119.07307	1.0
137.05963	0.8
143.04965	1.0
144.90654	0.8
172.13531	0.8
175.07538	1.3
178.08737	1.1
184.14313	0.9
186.73943	0.8
190.08752	1.0
229.41963	0.8
230.09781	0.9
247.09959	3.4
250.10727	24.0
250.13087	1.3
258.09119	3.0
264.10263	4.3
265.10974	8.2
266.11765	4.0
268.11752	14.8
275.09552	0.9
278.11682	7.9
280.13364	3.7
290.11789	15.8
302.11798	3.5
308.12671	1.5
309.16092	3.6
311.11307	1.1
311.17548	5.1
320.12851	1.4
332.12823	3.0
336.16617	0.8
338.13965	1.1
355.66614	1.0
362.64670	0.8
379.12961	1.1
383.19809	3.2
394.15405	1.1
409.17197	1.1
410.15820	1.0
428.17004	0.8
458.20468	12.4
459.15588	0.8
473.16968	6.3
473.22855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.7
55.05518	1.1
67.05497	4.2
69.07084	1.1
70.47736	0.7
71.04977	1.0
79.05477	3.7
81.03429	11.3
81.07064	4.1
83.08661	1.3
91.05470	5.9
93.07043	5.9
95.08634	5.6
97.10185	0.7
99.04458	100.0
105.07011	4.9
107.08604	3.2
109.10150	2.0
117.07026	1.6
119.08569	6.8
119.25141	0.8
121.10154	3.4
129.07016	0.7
131.08607	1.7
132.94614	0.7
133.10150	7.6
135.11719	1.8
143.08521	0.9
145.10135	3.2
147.11685	8.5
149.13179	0.9
157.10138	1.1
159.11697	3.4
161.09532	1.0
161.13240	5.4
175.14877	1.3
185.13260	1.5
241.19559	2.9
259.20575	12.6
277.21783	1.2
291.53900	0.8
336.12167	1.4
473.28641	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23381	1.5
71.62914	1.7
95.08619	1.9
98.32971	1.9
109.95590	1.8
113.82355	1.9
132.97830	2.0
180.52396	2.4
195.09921	100.0
223.70491	2.0
227.07820	2.0
301.21393	17.6
473.25000	3.4
473.32370	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3263
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
52.69492	1.0
55.05516	1.3
55.10985	1.0
55.35105	1.1
57.07084	10.5
67.05514	3.1
69.07054	1.3
70.06298	1.1
73.85582	1.2
79.05487	1.3
81.07067	7.3
85.06538	7.6
86.23340	1.1
89.50777	1.2
91.05464	4.9
93.07038	6.2
95.08614	7.2
95.37309	1.3
105.07039	7.6
106.22914	1.2
107.08603	6.3
109.06526	1.7
109.10147	2.7
111.04467	2.0
119.08585	8.4
119.09318	1.3
121.10063	3.8
125.05995	2.2
127.03904	7.2
131.08589	2.2
133.10132	6.4
135.11690	5.0
137.05959	8.4
137.09660	1.2
138.45900	1.2
145.10071	4.5
147.11690	10.2
149.13283	5.0
153.12700	1.8
159.11696	2.0
161.13280	9.2
161.53337	1.2
173.13210	1.5
175.14789	1.8
181.12291	9.1
197.11726	100.0
237.50044	1.2
241.19675	1.6
259.20547	11.7
275.20044	7.7
455.31613	15.6
473.25681	2.4
473.32404	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70158	1.1
57.07092	9.3
67.05505	5.1
69.03424	1.2
69.07058	1.7
71.04995	1.4
78.82069	1.0
79.05474	1.9
79.75661	1.5
81.07051	8.0
83.05011	1.2
85.06538	7.6
88.10563	1.0
91.05488	6.0
93.07066	7.1
95.08611	9.2
101.06100	1.3
105.07015	8.8
107.08582	8.4
109.10163	6.8
113.06058	1.3
117.07016	1.5
119.08582	11.4
121.10140	6.2
123.11750	1.7
125.05946	1.1
127.03909	5.4
131.08540	2.8
133.10153	9.2
135.08102	1.4
135.11670	2.9
137.05984	7.9
145.10138	5.8
147.11731	10.2
149.13290	2.5
152.30884	1.1
157.10168	2.3
159.11699	4.3
161.09711	1.6
161.13217	9.9
171.11647	2.7
173.13184	1.9
175.11038	1.2
175.14857	6.7
179.12650	1.4
181.12222	10.2
183.34682	1.2
185.13304	2.0
197.11726	100.0
199.14842	2.0
213.16286	1.6
240.13077	1.3
241.19577	1.9
259.20560	10.3
275.20151	5.5
353.95413	1.6
455.31369	13.0
473.32407	20.9
473.37643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54594	1.3
55.05517	17.9
55.73668	1.5
57.03439	13.7
57.07088	17.6
57.42806	1.6
67.05513	21.1
69.07070	36.2
71.08617	14.7
75.04485	1.6
79.05482	10.1
79.32349	1.6
79.73171	1.4
81.07057	40.6
82.49377	1.5
83.08622	30.9
85.06528	1.6
85.10184	7.6
88.17023	1.6
93.07038	16.1
95.08611	37.3
97.06525	7.1
97.10180	22.0
99.08061	2.9
99.30969	1.7
107.08595	19.9
109.10159	28.2
111.08059	3.9
111.11739	7.6
111.14582	1.6
121.10144	23.1
123.11707	8.8
124.65337	1.8
125.09634	3.7
133.10161	1.7
135.11696	22.2
139.11168	3.8
149.13283	9.2
153.12779	2.0
153.60112	1.5
163.14833	6.5
167.14351	1.8
177.16339	2.0
203.98431	1.6
236.14912	12.9
237.15248	6.7
269.15292	2.0
270.15656	2.3
279.26501	2.1
343.28427	24.2
361.32278	1.9
381.29974	20.1
399.31046	20.6
438.27200	8.5
455.33685	16.5
473.24673	3.5
473.34726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05519	22.3
67.05515	39.8
69.07065	28.9
69.88071	4.9
77.53519	4.6
78.12160	4.7
79.05499	27.3
81.07071	74.0
83.04953	4.7
83.08620	10.4
91.05463	19.4
93.07039	44.6
93.94111	4.8
95.04937	8.0
95.08608	100.0
105.07030	33.3
107.08580	38.2
109.10116	9.7
119.08608	53.8
121.10154	27.2
133.10110	50.6
135.11716	25.2
137.13286	5.9
140.63608	5.6
159.11684	6.8
161.09634	6.2
161.13235	49.1
179.10612	11.4
179.14261	7.9
197.11700	12.4
259.20499	9.5
268.43054	5.0
277.21603	32.9
295.55112	5.0
437.34033	8.4
455.35358	11.6
473.36594	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
56.15929	0.9
67.05521	1.6
69.07071	5.5
70.39391	0.7
75.51147	0.7
79.05499	1.0
81.07068	7.3
83.04983	0.9
88.07641	3.2
93.07043	6.6
95.08617	3.7
97.06547	3.8
97.10163	6.2
100.07619	1.4
107.08582	2.0
111.11742	1.9
121.10148	24.4
131.08618	1.1
138.12787	15.3
139.11176	19.5
139.12076	1.1
149.09651	4.4
154.94167	3.2
156.13870	8.8
166.12334	4.8
167.10754	1.2
172.95239	5.9
184.13332	33.2
185.11801	1.2
210.14862	5.8
210.96844	4.5
211.13287	12.4
228.15938	94.9
228.97946	4.2
242.24817	1.9
253.18335	0.9
319.19415	1.9
337.20523	5.3
455.18762	3.4
473.19952	16.3
473.39542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.31079	0.4
57.07072	0.5
62.06093	0.5
64.00586	0.5
67.05502	3.1
69.07072	7.3
72.04507	0.5
78.59134	0.4
79.05505	2.8
81.07062	9.0
83.04961	2.0
86.06081	1.0
88.07629	2.6
93.07034	5.9
95.08616	3.2
96.08144	0.9
97.06535	4.2
97.10160	6.0
97.67055	0.6
99.04462	2.0
100.07644	2.5
100.12936	0.5
105.07032	0.5
107.08617	4.1
111.11672	4.0
111.40060	0.5
118.08607	0.6
119.08566	0.7
121.10136	26.1
122.08112	0.6
131.08577	2.0
136.94943	0.5
138.12784	14.1
139.11180	18.3
139.89180	0.6
149.09610	6.1
154.94165	0.6
156.13821	9.8
166.12227	3.6
167.10672	2.8
183.07913	0.5
184.13310	36.3
185.11813	0.7
210.14864	6.1
211.13261	10.2
228.15933	97.9
242.24817	2.5
248.35669	0.6
290.27039	0.8
338.13821	1.1
410.44376	0.6
425.37186	0.9
473.39493	100.0
482.43610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92001	0.6
55.05513	0.8
57.07094	0.7
60.39465	0.6
61.01186	0.6
67.05507	3.0
69.07069	6.5
73.91503	0.8
79.05473	2.7
81.07046	6.3
83.04991	1.1
83.83844	0.9
86.06104	1.3
87.86984	0.8
88.07609	1.1
92.39292	0.8
93.07050	5.8
95.08618	1.8
97.06525	4.2
97.10181	5.3
98.79012	0.8
99.04447	1.3
100.07618	2.8
104.07121	0.9
104.40337	0.7
107.08604	3.8
111.11746	3.5
121.10151	23.1
131.08591	1.0
138.12782	11.4
139.11179	18.9
149.09641	4.7
156.13837	9.3
166.12212	5.7
167.10698	3.4
184.13329	35.4
185.11850	1.0
210.14888	6.9
211.13290	11.9
228.15938	88.7
228.97824	1.1
242.24825	3.2
425.37363	1.3
473.19745	3.3
473.39511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.0
61.23567	0.7
67.05495	1.9
69.07066	7.5
79.05499	1.9
81.07053	6.9
83.04980	1.6
86.06081	1.5
88.07626	1.5
93.07047	6.5
95.08606	4.8
97.06523	3.9
97.10180	6.2
99.04449	1.1
100.07621	1.9
107.08582	4.6
109.10169	1.0
111.11719	3.2
121.10138	24.5
128.83018	0.8
131.08582	1.1
138.12791	16.0
139.11174	17.6
149.09653	6.3
154.94136	1.3
156.13840	8.2
166.12280	3.3
167.10629	1.4
172.95247	3.5
184.13329	36.6
210.14890	4.5
211.13330	11.4
228.15936	93.7
242.24736	1.7
290.27036	1.1
312.12201	0.9
337.20584	2.0
344.74435	0.9
473.19882	5.3
473.39508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.08709	0.7
65.42912	0.8
67.05518	1.3
69.07063	5.6
79.05505	2.0
81.07068	6.4
83.04993	1.4
93.07045	3.6
95.08620	1.4
97.06537	2.2
97.10184	6.4
99.04441	1.8
100.07630	1.0
104.07100	1.7
107.08597	3.5
111.11729	1.6
115.13011	0.9
119.08602	1.0
121.10144	28.4
125.05953	0.9
131.08575	1.9
136.93153	1.1
138.12787	13.7
139.11188	23.3
149.09647	4.4
154.94196	5.5
156.13844	10.8
161.44890	1.0
166.12283	4.7
167.10692	1.4
172.95180	8.4
184.13324	38.4
185.11699	1.1
190.96304	1.0
210.14940	5.7
210.96866	4.2
211.13260	11.3
228.15947	95.3
228.97847	8.1
257.79581	0.9
264.34741	0.8
265.51440	0.9
288.45322	0.9
319.19315	1.8
337.20648	6.2
455.18945	3.6
473.13605	1.6
473.19839	19.3
473.39532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
67.05518	1.4
69.07072	8.3
79.05506	1.2
81.07066	8.6
83.04978	1.2
86.06073	1.5
88.07622	1.4
89.75858	0.7
92.48337	0.7
93.03907	0.6
93.07037	6.6
95.08611	3.3
97.06533	5.6
97.10192	6.9
99.04454	2.5
100.07632	1.1
107.08598	5.5
109.10159	0.7
111.11738	3.9
114.40294	0.7
121.10142	27.3
121.92318	0.8
131.08559	1.7
138.12798	17.1
139.11174	22.2
149.09654	5.2
156.13858	10.3
166.12285	3.2
167.10623	1.4
170.61209	0.7
184.13322	36.3
185.11734	1.4
210.14812	6.5
210.96761	0.8
211.13275	13.1
228.15941	98.0
242.24843	3.2
248.10347	0.7
285.83322	0.7
291.12097	0.8
320.09167	0.8
322.10715	1.0
323.11755	2.6
338.13916	4.0
396.08127	0.8
473.19891	2.5
473.39490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88329	0.6
63.54535	0.8
137.37851	1.0
225.17198	0.8
319.08371	4.4
320.09122	5.1
329.06503	1.2
334.10785	9.8
357.09982	2.9
358.07080	1.5
370.07001	1.5
382.07300	1.5
385.09534	0.9
395.07843	1.5
396.08557	1.8
397.09396	1.7
398.06555	5.2
400.08240	7.1
402.06052	4.9
410.06372	3.9
412.03897	1.4
412.12262	1.2
416.07617	6.7
418.09146	1.6
424.08167	28.5
426.06113	16.5
428.11194	1.9
441.08484	15.9
456.10760	100.0
474.11777	47.0
474.22498	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19725	0.5
68.54716	0.5
69.95108	0.6
79.05470	0.8
95.39725	0.7
125.28562	0.6
164.07074	1.0
174.05574	1.2
190.04947	1.0
273.60263	0.7
292.09723	0.8
294.07462	0.9
301.06992	5.4
313.63342	0.7
318.07672	1.5
319.08188	1.0
320.05576	100.0
320.09146	14.2
322.06876	1.1
334.10699	4.4
336.12445	8.3
337.09677	0.9
347.30084	0.8
356.62057	0.7
453.43646	0.9
474.11798	27.7
474.18976	7.0
474.28503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54338	0.8
55.43026	0.8
69.03436	1.6
69.45550	0.6
85.02908	7.5
95.19947	0.7
96.02058	0.7
116.45361	0.7
139.45432	0.7
190.04979	1.0
212.98271	1.0
220.07616	0.8
239.07074	1.2
246.92949	0.9
248.07057	1.0
266.08047	11.8
284.09171	100.0
308.09204	5.3
312.08679	72.1
312.12021	3.0
326.10297	1.0
336.08658	4.9
354.09631	3.6
420.10925	0.9
456.13144	8.8
474.13892	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54338	0.8
55.43026	0.8
69.03436	1.6
69.45550	0.6
85.02908	7.5
95.19947	0.7
96.02058	0.7
116.45361	0.7
139.45432	0.7
190.04979	1.0
212.98271	1.0
220.07616	0.8
239.07074	1.2
246.92949	0.9
248.07057	1.0
266.08047	11.8
284.09171	100.0
308.09204	5.3
312.08679	72.1
312.12021	3.0
326.10297	1.0
336.08658	4.9
354.09631	3.6
420.10925	0.9
456.13144	8.8
474.13892	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20230	0.7
68.89095	0.8
71.01513	0.7
94.19699	0.7
96.24833	0.8
97.74764	0.8
106.86070	0.8
108.43389	0.7
124.86343	0.8
149.79691	0.8
150.85599	0.8
176.46497	0.8
192.64186	0.9
203.81773	0.9
221.05377	1.0
290.08005	1.1
292.09509	1.3
293.10464	1.6
307.08450	1.3
308.09073	9.2
320.09204	1.7
321.09744	2.0
322.10684	7.4
323.11447	1.3
325.09708	1.8
334.10855	1.1
335.07797	4.8
336.08636	8.0
337.12686	3.6
350.10257	3.4
400.12051	1.0
413.12451	1.7
414.13116	1.3
416.11380	9.0
428.11398	1.2
430.12878	16.7
442.12805	4.1
444.10718	23.5
458.12296	21.7
459.13074	15.9
474.15485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14255	0.8
59.40318	0.8
121.73983	0.8
125.18025	0.8
138.87959	1.0
198.26074	0.9
215.33351	0.9
232.05902	0.8
307.08456	1.5
308.09171	2.1
320.09225	4.6
321.09729	1.4
322.10565	4.7
323.11301	4.7
324.11362	1.7
334.10916	4.5
335.07840	1.3
336.08655	2.9
336.12396	5.3
337.12708	6.6
338.13126	3.7
350.10443	1.0
413.12744	1.4
416.11307	6.2
430.12872	25.4
442.13004	8.9
444.10757	21.2
458.12299	33.9
459.13214	15.9
474.15536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47517	0.5
58.00223	0.6
58.06621	0.9
71.35480	0.7
73.72346	0.6
74.28838	0.7
81.94022	0.6
85.58894	0.6
93.92873	0.7
102.39833	0.6
123.69788	0.6
137.02312	1.1
144.62993	0.6
274.94006	0.6
290.08160	5.9
294.11234	10.4
302.07993	1.2
304.05984	6.7
306.11224	1.2
308.09155	8.6
318.07614	8.0
319.08401	42.5
320.08978	4.2
321.09930	0.8
322.10718	16.5
323.11530	33.6
334.10730	100.0
335.11185	2.3
336.12415	4.4
338.13843	41.3
430.12662	4.9
444.10712	1.0
458.12289	3.2
459.13104	3.0
474.15112	37.3
474.19443	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78649	0.7
76.93322	0.6
86.22784	0.7
278.08273	1.6
279.08936	16.5
280.09882	1.1
292.09827	0.7
294.07880	2.9
294.11209	41.2
306.07733	1.1
307.08408	5.2
308.09109	15.9
309.09952	3.4
320.09042	0.7
322.07190	1.0
322.10703	3.1
323.11508	52.6
324.12357	3.4
336.11969	0.9
413.12674	1.6
430.12714	9.3
442.12582	1.6
444.10440	7.7
458.12061	16.3
458.17294	0.7
459.13083	8.1
474.15475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50415	0.5
69.98011	0.6
99.04482	0.7
100.45289	0.7
121.06494	1.0
145.10153	1.1
194.81891	0.6
235.13225	1.5
252.86040	0.8
275.09464	3.7
276.10214	4.2
278.07944	1.1
279.09146	0.9
292.09503	1.1
298.08838	0.8
304.09628	25.0
307.08353	3.4
308.09140	2.7
311.12769	1.1
318.07990	0.9
320.09067	12.8
321.10019	1.4
322.10721	3.4
323.11377	0.9
333.10059	1.4
334.10672	5.4
336.12228	11.6
413.12946	0.9
416.11331	9.7
427.25854	0.8
428.11627	0.8
430.12762	6.5
442.12946	2.8
443.09839	0.7
444.10684	19.1
458.12161	26.8
459.13025	13.2
474.15445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78910	0.6
82.74536	0.7
92.21571	0.8
100.50417	0.9
111.53638	0.8
154.32938	0.8
162.61269	0.8
254.77182	0.9
275.09424	5.1
276.10202	3.4
278.08255	1.2
304.06345	1.2
304.09641	31.6
307.08423	4.1
320.09015	9.4
321.09546	1.3
323.11664	1.0
334.10651	1.5
336.12286	13.3
338.13861	1.1
386.10269	1.5
402.09760	1.0
405.44510	0.9
414.09540	1.6
416.11511	10.7
428.11346	3.7
430.09137	9.3
442.12997	1.1
444.10880	22.8
458.07480	4.4
458.13025	21.2
459.13263	12.0
474.15878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15142	0.7
53.31637	0.8
57.85949	0.7
58.49101	0.7
60.67878	0.7
66.11243	0.8
69.59669	0.8
73.17021	0.7
74.74302	0.8
88.64375	0.8
136.89886	0.9
137.02272	4.6
290.07834	1.8
294.08347	1.2
294.11179	23.6
304.05765	4.3
306.10974	5.2
308.09100	12.8
318.07428	4.2
319.08398	20.9
322.10706	32.5
323.11481	57.7
334.10703	43.8
336.12000	4.0
338.13824	86.4
430.12854	8.6
442.12558	1.1
444.10571	1.4
458.11929	6.6
459.12531	4.8
474.14957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89864	0.6
67.11211	0.5
84.62465	0.5
279.08887	1.0
280.09872	0.8
282.67896	0.6
293.10461	0.7
294.11224	5.9
308.09177	4.6
319.08447	1.0
320.09082	2.1
321.09927	0.8
322.10660	8.3
323.11502	10.8
334.10773	0.9
336.12289	4.0
338.13879	12.0
413.12766	1.4
414.13626	0.8
416.11090	4.6
429.12131	0.7
430.12833	32.6
442.12918	10.2
444.10672	23.0
445.11978	0.8
458.05823	1.1
458.12311	39.5
459.13034	16.4
474.15469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32565	0.9
56.97796	0.8
80.72571	0.9
83.90533	0.9
100.77511	1.1
105.47794	0.9
120.23762	1.0
137.02286	4.0
162.55695	1.1
221.24844	1.4
227.50078	0.9
279.08438	0.9
294.11237	22.4
306.11227	4.2
308.09116	11.6
318.07382	1.5
319.08322	10.0
320.09149	1.1
322.10736	28.0
323.11484	55.7
334.10684	27.4
336.12140	2.1
338.13837	80.8
372.65381	1.0
430.12674	6.9
442.12613	2.0
444.10388	1.1
458.12262	3.8
459.13058	4.5
474.15164	100.0
481.63309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15619	0.5
71.89680	0.5
76.79314	0.6
78.80103	0.8
80.86904	0.6
82.23077	0.6
92.21471	0.7
238.94353	0.6
292.09747	0.7
293.10416	1.4
294.11279	1.5
304.09589	0.7
307.08426	1.0
308.09082	6.4
309.09985	0.7
319.08432	1.2
320.09149	2.9
322.10782	5.9
325.09625	1.4
327.48203	0.6
334.10849	1.3
335.07928	3.0
336.08676	6.1
337.13031	0.9
338.13367	1.2
348.09021	0.7
371.84052	0.8
413.12680	3.5
414.13339	0.9
416.11374	6.8
428.11514	1.3
430.12848	20.3
442.12885	6.1
444.10782	25.8
458.12311	28.3
459.13104	16.1
474.15506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.3
62.88815	0.4
68.66798	0.3
92.14550	0.5
102.79656	0.4
121.02811	1.6
175.07755	0.4
177.07758	0.6
192.10097	0.7
205.10922	0.5
266.08029	0.5
268.09467	0.6
284.09052	2.7
284.12274	0.5
297.09973	8.5
312.12268	100.0
474.17700	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.3
62.88815	0.4
68.66798	0.3
92.14550	0.5
102.79656	0.4
121.02811	1.6
175.07755	0.4
177.07758	0.6
192.10097	0.7
205.10922	0.5
266.08029	0.5
268.09467	0.6
284.09052	2.7
284.12274	0.5
297.09973	8.5
312.12268	100.0
474.17700	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.3
62.88815	0.4
68.66798	0.3
92.14550	0.5
102.79656	0.4
121.02811	1.6
175.07755	0.4
177.07758	0.6
192.10097	0.7
205.10922	0.5
266.08029	0.5
268.09467	0.6
284.09052	2.7
284.12274	0.5
297.09973	8.5
312.12268	100.0
474.17700	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
53.40101	0.4
65.80225	0.5
68.33199	0.4
76.90467	0.6
79.05497	19.6
81.07063	100.0
95.05011	0.7
107.58105	0.5
109.06522	46.0
110.99160	0.5
119.29587	0.5
154.94162	0.6
158.41219	0.5
172.95235	1.1
202.85320	0.5
228.97969	1.1
244.84410	0.6
338.20648	0.7
347.11694	0.7
350.10086	2.6
365.12564	9.8
366.13605	0.7
374.10330	0.7
377.08920	3.1
392.11252	1.1
430.12979	1.2
474.19189	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65950	0.8
59.14755	0.8
65.03940	0.7
77.76271	1.0
79.05495	18.3
81.03475	1.1
81.07060	100.0
84.90553	0.9
86.06103	1.1
88.19780	0.9
88.97416	0.9
109.05773	1.6
109.06521	45.5
131.08138	1.4
141.14391	0.9
154.94170	0.9
172.95233	1.9
210.96791	1.2
320.09317	1.4
338.20636	1.1
347.11377	1.1
350.10361	3.4
365.12540	9.5
377.08801	4.4
474.19125	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85096	0.2
54.04252	0.2
55.42423	0.2
57.10347	0.2
71.79152	0.2
94.84554	0.2
96.23586	0.3
106.89458	0.2
114.85874	0.2
126.24463	0.3
194.57213	0.3
230.53148	0.3
250.21056	0.3
281.14352	0.3
290.08002	0.3
292.09744	3.3
307.08307	0.3
310.75659	0.3
318.07635	1.0
320.09171	100.0
321.09760	1.9
322.10358	1.0
334.10876	0.5
336.12271	5.6
337.12671	3.0
338.13504	0.6
376.15442	1.6
474.19159	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00559	0.4
54.62825	0.5
90.81084	0.5
95.08525	0.5
121.06412	2.4
121.10050	0.5
209.15411	0.7
218.30382	0.5
241.15883	0.5
259.93594	0.5
267.40756	0.6
290.08078	9.5
292.09659	2.9
292.81369	0.4
302.08102	2.2
304.06085	7.9
304.09296	0.9
306.07028	0.5
318.07565	11.1
319.08383	54.5
320.09177	2.6
321.09940	7.5
322.10583	0.7
334.10712	100.0
336.12305	20.6
336.16263	0.7
337.12521	2.0
338.13358	1.0
339.13718	0.9
353.15720	1.2
354.15961	4.4
474.19162	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54330	0.2
87.14240	0.3
108.40047	0.3
114.21823	0.3
123.61571	0.3
125.95310	0.3
148.76189	0.4
267.35980	0.4
290.08243	0.4
292.09579	3.2
318.07645	4.7
320.09161	100.0
414.17001	1.7
456.18106	0.5
474.19073	47.3
483.07571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00794	0.3
92.21513	0.6
103.60121	0.4
129.14786	0.3
159.70793	0.3
176.07024	0.4
183.67474	0.4
245.33696	0.4
254.17459	0.4
263.63474	0.3
290.08084	0.5
292.09625	3.3
318.07614	0.6
320.09164	100.0
321.09827	0.5
336.12106	1.5
474.19098	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45908	0.3
55.05552	0.3
55.94477	0.2
57.14680	0.2
57.29005	0.2
59.39072	0.2
69.07080	0.3
81.07109	0.3
95.08676	0.5
106.96854	0.3
110.47066	0.3
121.06554	0.3
131.08620	0.3
164.07083	0.5
176.07147	0.6
198.50717	0.3
243.10045	0.3
269.85855	0.3
290.08154	1.6
292.09601	4.2
304.06110	0.5
318.07581	1.6
319.08459	4.1
320.09161	100.0
321.09979	3.1
334.10782	6.5
336.12277	8.9
474.18817	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94608	0.3
75.73856	0.3
122.41306	0.4
176.07018	0.4
248.86227	0.4
292.09656	3.3
320.09171	100.0
321.09396	0.5
336.12161	1.2
474.19122	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33773	0.2
62.72729	0.2
67.05431	0.2
68.15872	0.2
68.35669	0.2
75.35065	0.2
83.08550	0.2
87.10419	0.2
109.10120	0.3
121.06463	0.3
164.07004	0.5
179.21938	0.3
292.09616	3.2
302.24725	0.5
318.07623	0.5
318.76654	0.3
320.09149	100.0
321.09784	1.4
322.10324	0.9
334.10846	0.4
336.12213	3.4
336.47018	0.2
352.15500	1.0
354.44003	0.2
381.49109	0.2
429.74637	0.2
435.68567	0.2
474.19064	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70129	0.2
66.00108	0.3
66.74348	0.2
67.74226	0.3
69.77020	0.3
75.82558	0.3
96.44130	0.3
123.48576	0.3
150.99521	0.3
153.73471	0.3
154.28868	0.3
166.95903	0.3
292.09604	3.3
295.99023	0.3
318.07584	3.5
320.09177	100.0
414.17175	0.7
439.36569	0.3
474.19098	42.1
487.24469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70129	0.2
66.00108	0.3
66.74348	0.2
67.74226	0.3
69.77020	0.3
75.82558	0.3
96.44130	0.3
123.48576	0.3
150.99521	0.3
153.73471	0.3
154.28868	0.3
166.95903	0.3
292.09604	3.3
295.99023	0.3
318.07584	3.5
320.09177	100.0
414.17175	0.7
439.36569	0.3
474.19098	42.1
487.24469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78977	1.4
67.21085	1.4
79.18285	1.9
85.41888	1.6
86.87637	1.9
91.05489	1.9
93.07047	2.4
105.07037	2.2
121.06516	46.7
133.06483	3.5
137.05981	39.5
159.08047	2.8
161.05959	15.6
164.07057	23.0
187.07547	26.8
191.08565	12.8
218.07291	3.6
219.08054	43.1
233.09538	3.8
235.07620	3.4
236.08354	7.3
247.07491	34.6
249.09167	2.0
250.09772	1.9
251.10684	76.9
261.09103	4.2
263.06985	2.1
264.07813	8.9
265.08466	2.9
265.80823	1.9
272.13071	2.4
277.08591	11.7
278.09271	6.7
279.10190	52.9
280.10919	2.9
281.08243	3.0
281.11737	8.5
294.08813	7.4
296.10416	45.6
305.08090	4.2
306.08917	3.4
309.11179	2.9
311.12778	100.0
320.09149	10.1
322.10800	2.3
323.11362	2.0
336.12262	9.3
337.10596	32.1
356.26266	1.8
458.12265	2.7
474.14438	18.1
474.19992	4.2
484.25903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90711	0.4
67.28767	0.3
67.51212	0.4
95.30148	0.5
99.04445	2.2
103.05486	1.9
120.08108	100.0
125.05965	0.5
131.04878	3.2
149.06006	4.0
166.08633	53.1
402.65698	0.4
428.96130	0.4
474.20041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.212
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
58.06610	0.5
70.06583	1.3
72.08152	0.4
77.11523	0.3
84.08112	0.4
86.09690	1.3
88.52890	0.3
99.04447	0.4
141.00562	0.3
146.15439	0.3
166.21091	0.3
175.03914	0.5
207.06586	1.5
216.23143	0.4
254.08018	1.3
272.09183	0.7
281.06592	0.3
296.09488	0.3
297.08856	0.3
297.13562	6.2
298.07104	7.0
310.09882	0.7
311.10214	0.3
312.15909	100.0
318.01486	0.3
340.08057	1.7
348.69839	0.3
358.09149	3.1
459.10446	0.5
474.13834	10.4
474.21051	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.5
70.06583	1.3
72.08152	0.4
77.11523	0.3
84.08112	0.4
86.09690	1.3
88.52890	0.3
99.04447	0.4
141.00562	0.3
146.15439	0.3
166.21091	0.3
175.03914	0.5
207.06586	1.5
216.23143	0.4
254.08018	1.3
272.09183	0.7
281.06592	0.3
296.09488	0.3
297.08856	0.3
297.13562	6.2
298.07104	7.0
310.09882	0.7
311.10214	0.3
312.15909	100.0
318.01486	0.3
340.08057	1.7
348.69839	0.3
358.09149	3.1
459.10446	0.5
474.13834	10.4
474.21051	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	21.1
73.02921	0.4
84.61469	0.5
85.02903	2.2
91.35520	0.5
97.02894	0.8
107.04958	25.8
121.06521	0.9
137.05995	5.7
142.89520	0.4
143.04904	5.0
145.06499	2.8
145.89775	0.5
150.09096	0.6
164.79611	0.5
175.07582	2.4
175.09883	1.0
176.08409	0.9
186.09198	0.6
190.08592	4.0
191.09450	4.3
205.10985	8.4
206.11784	1.2
207.08026	5.3
209.09641	0.8
235.07549	8.8
237.09218	0.8
239.10684	0.7
252.07796	3.7
263.66898	0.5
267.10168	26.6
269.11737	5.4
278.11908	1.9
279.12628	2.5
282.11166	0.7
296.12723	6.1
297.13586	15.7
312.15930	50.1
328.97046	0.5
397.94229	0.5
399.01144	0.6
474.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.5
70.06583	1.3
72.08152	0.4
77.11523	0.3
84.08112	0.4
86.09690	1.3
88.52890	0.3
99.04447	0.4
141.00562	0.3
146.15439	0.3
166.21091	0.3
175.03914	0.5
207.06586	1.5
216.23143	0.4
254.08018	1.3
272.09183	0.7
281.06592	0.3
296.09488	0.3
297.08856	0.3
297.13562	6.2
298.07104	7.0
310.09882	0.7
311.10214	0.3
312.15909	100.0
318.01486	0.3
340.08057	1.7
348.69839	0.3
358.09149	3.1
459.10446	0.5
474.13834	10.4
474.21051	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.212
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
71.41463	0.5
79.97017	0.6
80.26472	0.6
81.75415	0.6
87.88790	0.5
106.30293	0.5
114.46947	0.6
297.13657	6.2
300.15997	0.6
312.15909	100.0
320.09259	0.7
447.21848	0.5
460.47009	0.7
474.21225	38.4
478.31323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68596	0.3
51.69186	0.4
55.01161	0.4
57.11745	0.3
63.99553	0.3
69.07074	0.8
70.71309	0.3
82.15811	0.4
85.02909	2.0
86.09707	100.0
89.08526	0.4
97.02879	0.5
127.03929	1.9
132.10201	76.5
145.05000	0.6
179.19867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10207	0.5
54.37450	0.5
62.41771	0.5
62.50198	0.4
65.33074	0.4
71.44614	0.5
75.21064	0.5
79.43853	0.5
85.02920	1.1
86.09710	100.0
91.02640	0.5
127.03916	1.0
132.10208	72.0
137.88115	0.5
145.05029	0.8
152.31380	0.6
165.08646	0.5
236.74924	0.6
238.52852	0.6
293.12796	0.6
387.13782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
71.19682	1.0
73.54073	0.7
95.08573	0.8
101.18958	0.6
106.50332	0.9
126.80296	0.7
127.52186	0.8
149.41634	0.7
290.08063	6.6
302.08151	1.2
304.06137	4.3
318.07629	8.8
319.08362	43.8
320.09155	13.3
321.09958	3.0
334.10721	100.0
336.08804	1.1
336.12259	8.0
414.17313	1.0
430.20013	3.9
474.11752	2.9
474.22778	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
71.19682	1.0
73.54073	0.7
95.08573	0.8
101.18958	0.6
106.50332	0.9
126.80296	0.7
127.52186	0.8
149.41634	0.7
290.08063	6.6
302.08151	1.2
304.06137	4.3
318.07629	8.8
319.08362	43.8
320.09155	13.3
321.09958	3.0
334.10721	100.0
336.08804	1.1
336.12259	8.0
414.17313	1.0
430.20013	3.9
474.11752	2.9
474.22778	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94905	0.4
56.85205	0.5
77.08628	0.5
93.79318	0.6
101.03026	0.5
108.92174	0.5
117.42030	0.5
218.94189	0.6
236.15015	1.2
292.09763	2.9
317.17960	1.2
320.09158	100.0
321.09860	0.6
406.81192	0.6
416.18176	0.8
430.62491	0.6
474.22757	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05655	5.5
70.06596	20.9
72.08148	1.1
84.04515	4.5
84.08151	1.3
84.73990	0.9
86.09710	65.4
88.33871	0.8
96.04472	0.8
102.05534	2.0
112.08745	5.0
113.07155	1.6
115.08701	6.8
116.07114	12.6
124.03989	1.9
130.09760	4.1
130.21970	0.8
132.10204	3.5
133.09740	1.5
137.05994	0.9
141.06601	11.2
152.08167	0.8
155.90926	0.9
156.11330	13.7
156.12483	1.3
158.09256	17.4
159.07646	15.8
175.11903	25.4
187.07130	11.3
197.12843	1.8
215.14014	1.9
254.14987	1.2
271.17618	6.0
288.20309	15.6
305.44974	0.9
355.27380	0.9
456.12222	1.0
474.26727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
63.97198	2.1
67.05492	3.2
69.07075	14.7
81.07056	4.6
83.08614	4.6
87.04490	2.6
87.85785	2.4
90.32780	2.0
93.07063	2.6
95.08613	11.1
96.04498	4.2
97.02852	2.8
97.10165	3.2
99.00508	2.3
101.35331	3.2
105.07015	2.7
107.08585	5.8
109.10179	14.0
109.91704	2.6
110.02374	4.4
112.03948	5.5
119.08601	4.7
121.10127	41.6
123.11700	24.8
124.00307	15.9
124.03941	21.7
126.05504	4.0
130.45105	2.4
132.06596	4.7
133.10132	12.0
135.11703	13.4
137.13297	3.6
145.10091	5.2
147.11665	4.3
156.06538	12.2
157.10089	2.6
159.11707	15.3
161.13211	3.6
163.14796	5.6
168.06529	9.4
173.13254	12.0
175.14842	3.7
177.16402	4.0
182.08089	5.5
185.11656	2.7
187.14818	5.7
196.06015	2.5
199.14830	3.2
200.05540	35.2
202.07031	6.0
210.07643	9.8
214.07019	4.5
215.17946	30.5
216.10272	3.8
217.19489	25.7
228.08647	9.5
229.14273	2.8
236.14867	5.3
243.21042	13.4
246.06149	4.4
255.21066	12.3
258.09616	4.5
274.14365	4.0
288.15771	2.7
297.29724	2.6
392.06488	3.1
446.28409	2.7
456.27444	86.5
474.28482	100.0
474.35773	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70399	0.9
55.05509	1.4
57.07074	5.6
58.06609	14.5
59.07394	5.1
60.08172	6.5
62.77268	1.1
69.07072	6.6
71.04994	1.8
71.08629	3.0
81.07070	9.1
83.08628	2.9
85.02909	1.4
85.10181	1.5
87.04479	1.2
93.07040	1.4
95.08619	3.0
97.10179	1.7
109.10182	1.7
123.11707	1.6
129.30042	1.5
144.10220	8.7
154.58156	1.3
160.00537	1.3
177.05496	7.4
189.09241	1.8
194.08237	1.5
201.09155	10.4
201.11099	3.5
213.09125	2.6
215.10744	6.4
217.12332	7.1
227.10654	10.0
229.08611	11.5
236.14925	100.0
241.08611	1.7
241.12259	6.4
242.24872	1.6
243.10168	1.9
246.94997	1.3
247.09601	10.0
253.12334	2.7
255.10176	2.1
255.13864	6.1
259.09769	6.5
261.11185	1.7
263.22174	1.4
265.10986	1.5
267.13797	2.3
269.12198	1.6
269.15356	26.3
281.12390	2.3
281.15280	15.4
283.13541	1.2
287.13019	1.9
287.16464	2.7
295.17007	6.2
297.14789	2.9
309.14835	1.5
315.15875	10.5
327.16220	4.4
333.16974	56.7
333.20920	2.3
337.21487	14.5
365.20920	4.4
383.22134	10.3
439.28448	3.1
456.37036	8.4
474.23215	13.2
474.32294	4.6
474.37970	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99620	2.2
58.45109	1.7
59.58783	1.6
62.18315	1.7
63.88159	1.7
67.05517	4.3
70.59856	1.8
79.05506	2.2
79.25494	1.9
81.07063	5.0
82.69450	2.1
93.07046	2.3
95.04964	34.9
95.08601	18.2
95.90652	2.5
107.08606	9.3
109.10143	9.2
123.11684	12.5
133.10106	11.2
135.11713	4.9
135.38100	2.4
137.09618	47.3
146.73740	1.9
151.09396	2.5
151.11156	9.2
161.09631	3.3
179.10658	100.0
212.85503	2.0
222.18341	2.2
304.04294	2.6
382.13678	2.3
387.24945	2.8
457.33078	37.5
474.35678	2.9
483.55591	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15232	3.2
67.05520	4.7
79.05482	6.2
81.07083	13.5
93.07035	8.6
95.04970	23.2
95.08610	16.8
102.31393	3.3
104.74440	3.2
107.08594	8.6
109.10165	16.3
119.88969	3.5
121.10207	5.3
123.11689	5.7
132.02812	3.7
133.10130	6.5
135.11742	5.9
137.09618	22.2
151.11217	7.0
155.18762	3.4
179.10681	100.0
197.11754	66.0
222.68420	3.9
261.22034	4.3
302.24576	15.9
457.33136	28.7
487.44684	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21395	0.8
67.05513	1.1
69.07072	6.2
75.96027	0.9
81.07045	2.5
83.08652	1.1
83.48918	1.0
93.07045	5.7
95.08565	1.4
97.06525	1.7
97.10185	2.3
107.29372	0.9
111.11738	1.5
121.10161	12.4
122.17231	1.2
139.11226	6.9
149.09657	1.2
200.12901	1.7
201.13222	1.5
203.12730	1.6
229.14349	100.0
242.24614	1.1
307.22513	1.2
357.45859	1.1
368.56512	1.2
474.38010	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65931	0.6
54.08935	0.6
57.03434	1.1
57.07085	5.0
57.25174	0.6
58.06615	16.5
59.07389	3.4
60.08172	5.6
63.32745	0.7
64.71803	0.7
67.05525	1.4
69.07032	0.7
71.08641	3.6
71.46918	0.7
75.71975	0.7
85.02907	1.6
85.10211	1.2
87.04486	0.9
87.25819	0.8
95.08609	1.3
113.05993	0.8
144.10223	10.7
158.95946	0.8
162.11313	1.3
221.20026	0.8
230.20865	0.9
236.14934	100.0
313.27420	1.3
384.98550	0.8
388.81522	1.0
404.71344	0.9
456.36850	10.1
474.37927	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56994	0.5
57.03428	1.2
57.07059	2.3
58.06610	9.5
59.07376	2.1
59.31441	0.4
60.08169	3.9
60.78354	0.5
66.94341	0.5
69.07028	0.6
71.08625	1.0
75.04462	0.8
81.07034	0.6
85.02917	0.9
85.10174	1.0
87.04479	2.0
92.20850	0.7
92.52940	0.6
95.08587	0.6
109.10053	0.5
120.05389	0.6
123.87185	0.5
131.07007	0.7
144.10213	6.5
152.81407	0.6
162.11240	3.4
236.14923	100.0
245.69072	0.6
254.67638	0.5
261.27292	0.5
291.90616	0.7
335.47617	0.6
456.37003	7.1
474.37918	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39099	0.6
53.06479	0.5
58.06600	0.8
61.03586	0.6
61.50251	0.6
65.84547	0.6
66.49895	0.7
69.92127	0.7
70.02955	0.8
88.03996	31.4
92.49599	0.7
93.97726	0.6
103.02829	0.6
116.47138	0.6
130.04105	0.8
135.04428	0.8
147.04422	0.8
149.00618	0.8
149.05974	15.2
151.02081	2.9
164.98387	0.7
165.05458	4.2
175.03949	3.3
177.05516	0.8
178.04691	0.8
178.77809	0.7
181.03217	1.3
183.04736	1.5
190.08629	9.9
192.10110	0.8
193.03195	1.6
206.08086	1.6
222.05792	7.8
223.06619	3.8
233.02556	0.8
238.05318	6.3
239.05298	4.8
240.06807	3.0
267.04697	5.5
269.06171	6.9
297.05771	12.8
306.08658	1.2
307.04059	1.3
309.08997	1.2
310.10220	0.9
313.16125	0.8
325.04971	0.9
327.06586	0.9
329.08496	8.3
337.05255	1.2
340.15268	1.0
343.17285	1.2
354.17065	0.9
355.13992	0.8
357.07748	1.5
370.11026	4.1
380.90698	0.7
388.12149	17.4
430.13135	1.2
475.15225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.5
63.07717	0.3
66.84319	0.3
70.02957	0.9
74.04070	0.4
80.05206	0.4
85.25151	0.3
88.03995	26.5
88.43840	0.4
105.08177	0.4
107.04937	0.8
119.04913	0.5
126.37849	0.4
135.04408	1.8
147.04442	0.8
149.00549	0.5
149.05984	16.1
151.02167	2.6
153.03717	2.4
165.05473	5.2
175.03905	3.9
176.07060	0.4
177.05460	1.6
181.03194	4.5
183.04726	0.6
190.08626	9.5
191.09468	0.4
193.03191	2.0
193.72672	0.5
195.04803	0.6
205.07356	0.5
206.08150	2.0
208.04254	0.7
209.04919	0.4
222.05832	8.0
223.06598	3.5
224.07387	0.9
238.05312	6.0
239.05238	4.5
240.07018	3.2
253.05360	0.7
267.04709	4.6
269.06305	7.8
291.06332	0.4
295.04114	0.4
297.05783	12.0
299.59091	0.4
299.63531	0.4
306.08844	1.6
307.04193	2.0
309.05777	0.8
309.09091	2.4
310.09912	0.8
313.05032	0.5
315.06839	0.6
322.10931	0.7
324.09869	0.6
324.16272	0.5
325.05341	0.5
327.06787	0.7
329.08417	10.2
337.05347	0.6
337.13013	1.6
339.06802	0.7
340.15475	0.5
354.07651	0.4
355.14023	0.6
357.08002	3.2
368.09219	0.6
370.10971	3.2
388.12094	16.6
408.09201	0.4
425.25079	0.4
430.13199	1.7
475.15225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39099	0.6
53.06479	0.5
58.06600	0.8
61.03586	0.6
61.50251	0.6
65.84547	0.6
66.49895	0.7
69.92127	0.7
70.02955	0.8
88.03996	31.4
92.49599	0.7
93.97726	0.6
103.02829	0.6
116.47138	0.6
130.04105	0.8
135.04428	0.8
147.04422	0.8
149.00618	0.8
149.05974	15.2
151.02081	2.9
164.98387	0.7
165.05458	4.2
175.03949	3.3
177.05516	0.8
178.04691	0.8
178.77809	0.7
181.03217	1.3
183.04736	1.5
190.08629	9.9
192.10110	0.8
193.03195	1.6
206.08086	1.6
222.05792	7.8
223.06619	3.8
233.02556	0.8
238.05318	6.3
239.05298	4.8
240.06807	3.0
267.04697	5.5
269.06171	6.9
297.05771	12.8
306.08658	1.2
307.04059	1.3
309.08997	1.2
310.10220	0.9
313.16125	0.8
325.04971	0.9
327.06586	0.9
329.08496	8.3
337.05255	1.2
340.15268	1.0
343.17285	1.2
354.17065	0.9
355.13992	0.8
357.07748	1.5
370.11026	4.1
380.90698	0.7
388.12149	17.4
430.13135	1.2
475.15225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1533
Annotation	Nordracorubin
Peak:m/z	Relative Intensity
50.31022	0.3
58.06607	1.6
74.00677	0.5
85.02859	0.4
86.09672	0.4
88.03986	2.1
94.64880	0.4
110.85658	0.4
119.04876	0.5
120.01113	0.5
135.04459	0.5
149.06000	4.5
153.99301	0.4
169.03139	3.1
176.07053	0.8
176.72632	0.5
177.07898	0.7
178.08684	2.1
181.03215	3.3
183.04750	2.0
188.07074	22.7
189.07840	12.3
190.08647	3.5
193.03091	0.6
195.04779	1.6
197.02689	0.6
206.08136	10.6
206.11777	0.8
207.04805	0.4
209.02664	4.8
218.11839	0.5
222.05812	9.7
240.07086	0.5
254.04723	0.6
257.06299	0.5
268.06348	7.1
285.05817	0.8
291.06705	3.5
294.03467	0.5
294.08908	0.7
296.05783	1.9
306.08865	10.4
307.04269	2.3
309.07535	2.2
313.12729	2.4
315.06854	2.0
322.02948	0.9
322.11002	0.9
323.03979	0.6
324.09933	6.5
327.06863	2.5
336.12350	1.8
337.05267	11.2
337.13126	3.8
339.06894	0.7
339.14417	0.8
343.06210	0.7
368.09216	0.5
370.11108	2.3
386.10867	0.6
388.12100	5.9
430.12811	1.5
446.06979	0.5
475.15295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42698	0.3
63.34895	0.3
63.95984	0.3
70.06586	0.6
72.08159	0.6
84.08138	0.4
86.09689	0.7
88.04001	2.0
105.13785	0.3
120.01182	0.7
135.04457	0.7
137.06009	0.3
149.05977	3.8
156.56755	0.3
163.02046	0.3
163.07524	0.4
169.03203	3.3
176.07098	1.3
177.07916	0.5
178.08673	2.2
181.03172	3.4
183.04787	2.2
188.07069	24.4
189.07845	11.8
189.09395	0.6
190.08626	4.4
191.09215	0.4
193.03171	0.7
195.04770	1.8
197.02780	0.7
202.08598	0.4
206.08138	10.8
207.04842	0.6
208.14996	0.3
209.02673	3.8
218.08208	0.3
222.05803	9.7
223.68051	0.3
232.70103	0.3
234.05875	0.5
240.06836	0.3
250.05301	0.3
252.61813	0.3
254.04816	1.2
268.06390	8.9
274.06128	0.4
275.07187	0.5
277.08658	0.5
281.06219	0.5
283.04254	0.4
285.05988	0.6
291.06723	4.1
294.03360	0.5
294.08823	0.7
295.04245	0.5
296.05817	3.0
305.02655	0.5
305.08276	0.6
306.08847	9.7
307.04276	1.9
308.10464	0.4
309.05249	0.6
309.07578	2.1
312.10037	0.8
313.05103	0.3
313.08823	0.5
313.12265	0.5
314.10419	0.3
315.06873	2.6
322.02997	1.3
322.11102	0.5
323.03668	0.4
324.09940	6.8
325.05215	0.6
327.06964	1.8
336.12283	2.0
337.05289	11.2
337.13077	3.4
339.06860	1.3
339.14380	0.4
341.08319	0.5
343.06039	0.6
354.07733	0.4
355.06189	0.7
355.13635	0.3
370.10953	1.4
386.10593	1.6
388.12170	5.9
430.13257	1.8
457.14111	0.6
475.15353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48954	0.6
58.06606	1.2
61.99810	0.6
65.19375	0.5
70.06593	0.6
79.16428	0.5
85.81474	0.6
88.03982	2.6
88.16056	0.6
112.46876	0.6
135.04433	1.2
138.24916	0.6
149.05952	4.8
160.89371	0.7
169.03122	1.4
176.06996	0.8
177.07860	1.1
178.08664	2.7
181.03177	3.2
183.04778	1.4
188.07056	26.7
188.08723	1.3
189.07816	12.1
190.08614	11.3
195.04749	2.8
204.10207	1.1
206.08151	11.4
206.11752	21.9
209.02686	4.0
209.04572	0.7
218.11775	7.6
219.26752	0.7
222.05792	10.1
268.06354	7.2
291.06677	4.4
291.09457	0.9
294.08987	1.2
296.05875	3.1
306.08820	10.1
307.04269	1.4
309.05707	1.1
315.06931	2.8
322.02869	0.8
322.11029	2.2
323.03735	0.8
324.09824	6.3
327.06946	1.0
332.89569	0.8
336.12231	0.9
337.05267	11.6
337.12994	3.0
339.06741	0.8
339.14667	3.3
340.15393	5.5
354.16974	15.9
355.17709	4.1
369.62488	0.7
370.10904	1.2
388.11929	6.5
430.12781	1.5
475.14636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28179	0.6
55.54940	0.6
57.53434	0.6
59.83870	0.6
64.51697	0.7
65.59866	0.6
88.03969	0.9
149.05966	5.1
161.75858	0.8
169.03152	1.0
178.08617	3.1
181.03149	3.9
183.04774	1.5
188.07051	27.4
189.07845	12.3
190.08650	4.2
195.04666	1.2
195.67599	0.8
206.08102	12.9
206.11667	0.8
209.02699	1.4
222.05833	9.9
268.06378	8.3
291.06583	5.3
296.05554	1.1
305.08182	1.1
306.08777	9.8
307.04282	3.0
309.07352	1.3
312.12497	1.6
313.12552	8.1
315.06552	0.9
324.09781	6.5
336.12262	1.2
337.05209	13.2
337.12982	3.0
339.06741	1.1
339.14499	3.1
355.05945	0.8
370.11008	0.9
388.11972	5.9
430.13156	1.1
475.15213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1528
Annotation	Nordracorubin
Peak:m/z	Relative Intensity
58.06575	1.3
70.06599	1.6
70.30821	0.9
72.08160	0.8
86.09694	3.9
88.03998	1.7
94.99115	0.9
106.84332	0.9
111.44738	0.8
119.04938	1.5
131.04890	0.9
147.04451	1.1
148.04831	1.0
149.06000	3.9
163.02177	0.9
169.03114	1.3
175.03877	4.3
176.04294	1.9
178.08640	3.5
181.03143	3.4
188.07050	26.3
189.07890	10.0
190.08620	4.3
193.03166	1.0
195.04691	1.6
195.54573	1.0
206.08115	11.0
207.06575	5.6
208.06857	5.2
209.02589	1.9
222.05785	8.9
254.04639	1.3
268.06235	6.5
291.06503	2.1
296.05835	4.3
306.08893	9.2
307.04144	1.3
308.64810	1.1
309.07782	1.8
312.10175	0.9
315.07001	1.0
324.09976	4.8
336.12094	1.0
337.05307	10.1
370.11206	1.9
388.12140	4.4
426.10852	1.1
430.12927	1.2
475.15298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.3
62.79362	0.6
70.06556	3.0
72.08096	1.1
84.08114	1.3
84.81718	0.7
88.03964	1.4
110.07148	1.0
129.10164	1.5
135.04436	0.8
149.05980	5.6
163.02011	0.7
169.03137	1.5
174.05362	0.8
175.11897	0.8
176.06955	1.5
177.07799	1.2
178.08592	1.7
181.03044	4.5
183.04680	1.6
188.05429	1.0
188.07069	26.9
189.07825	13.7
190.08618	7.6
193.03046	1.3
195.04701	1.4
204.10115	0.9
206.08133	12.6
206.11737	10.1
209.02567	4.0
218.11702	1.5
222.05806	11.0
268.06351	10.6
291.06369	4.2
294.03433	0.7
294.08829	0.9
296.05634	2.7
306.08859	11.4
307.04102	1.2
309.07538	2.2
309.10806	0.7
312.12488	1.2
313.12738	6.6
315.06604	1.4
322.10876	0.8
324.09903	5.6
327.06805	1.0
336.12076	0.9
337.05261	14.1
337.12766	3.2
339.14386	3.3
340.15051	1.5
341.11969	0.8
354.16925	7.0
355.17267	1.2
370.10699	1.1
386.10287	1.0
388.12143	7.2
430.12860	1.5
457.13242	0.8
475.14911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02443	15.0
85.02914	0.7
85.34501	0.5
87.05589	30.8
88.03986	5.8
96.22427	0.6
116.03465	7.4
133.03465	4.5
133.06088	100.0
138.35553	0.6
143.01913	1.3
161.02995	0.9
167.04141	0.7
173.02950	1.1
175.04536	5.1
187.04544	3.9
189.05977	1.0
193.22166	0.7
199.04565	1.3
201.05959	2.0
211.04497	3.2
217.05528	2.7
221.05037	0.8
241.38992	0.8
277.07736	3.5
285.79105	0.6
294.05728	0.8
295.08749	1.4
307.33157	0.7
337.07446	1.0
355.08746	1.5
365.06824	0.7
383.08380	1.4
401.09100	2.9
475.12891	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17770	0.6
57.95744	0.8
58.04572	0.7
62.14373	0.6
69.03399	1.3
69.54345	0.6
70.06623	0.7
81.03391	1.9
84.08156	1.2
84.99539	0.8
85.02906	1.0
85.14925	0.6
89.03828	1.2
108.36335	0.8
109.02931	1.2
117.03362	3.9
127.03933	0.8
145.02844	36.6
149.05949	1.1
155.61041	0.8
177.05453	100.0
195.06566	1.0
207.06581	5.2
278.37857	0.8
321.09549	1.1
339.10757	8.3
353.32126	0.8
475.16089	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17770	0.6
57.95744	0.8
58.04572	0.7
62.14373	0.6
69.03399	1.3
69.54345	0.6
70.06623	0.7
81.03391	1.9
84.08156	1.2
84.99539	0.8
85.02906	1.0
85.14925	0.6
89.03828	1.2
108.36335	0.8
109.02931	1.2
117.03362	3.9
127.03933	0.8
145.02844	36.6
149.05949	1.1
155.61041	0.8
177.05453	100.0
195.06566	1.0
207.06581	5.2
278.37857	0.8
321.09549	1.1
339.10757	8.3
353.32126	0.8
475.16089	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.186
Annotation	Petromurin D
Peak:m/z	Relative Intensity
67.05502	1.0
69.07052	0.7
74.39571	0.5
78.31738	0.6
79.05486	1.0
81.07042	1.1
91.05421	0.6
93.07037	2.8
100.55259	0.5
107.08601	0.8
119.08603	0.7
121.06475	1.1
121.10189	0.8
133.08421	0.6
133.10204	0.6
135.11705	0.6
167.02962	0.8
175.06236	0.9
228.97523	0.6
230.41428	0.6
252.38199	0.6
278.21881	0.7
292.09677	4.9
304.09543	0.8
320.09174	8.5
320.21677	0.7
321.09842	25.2
332.13074	0.9
336.12274	100.0
337.12753	3.7
362.13971	1.1
364.16391	0.6
439.62115	0.6
458.16052	2.6
475.18668	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1862
Annotation	Petromurin D
Peak:m/z	Relative Intensity
62.91856	0.9
78.54054	0.8
81.07059	1.1
83.08601	0.9
89.75428	1.0
93.07031	1.5
95.04936	1.0
95.08598	1.3
102.37478	0.9
105.07006	1.4
107.08600	1.7
109.10130	1.4
117.07076	1.1
121.10188	1.5
133.10132	1.2
173.13228	1.0
174.06773	7.4
175.06227	3.3
176.07054	31.5
189.09076	12.9
213.62949	0.9
216.10178	3.7
229.07309	1.2
230.08054	4.8
239.10634	26.9
242.08112	1.2
244.09621	14.7
287.10272	8.4
292.09668	5.2
306.07422	1.5
310.10764	3.4
320.09091	7.9
321.09811	16.8
322.10287	4.4
332.12683	8.1
336.12265	52.0
337.12582	13.7
348.12180	1.6
362.13861	1.3
430.16385	1.7
458.16104	1.6
475.18445	100.0
485.47534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00530	0.7
53.79809	0.8
54.69592	0.7
55.62400	0.7
60.80902	0.8
71.87457	0.9
77.05476	0.9
92.21467	1.3
93.55631	0.8
94.33699	0.9
98.91296	0.8
108.30665	0.9
149.06018	1.5
165.09152	1.4
178.08646	1.5
190.08609	26.6
191.09552	3.9
204.10228	9.7
206.11758	74.9
218.11752	18.1
293.44763	0.9
312.13318	1.0
324.16089	4.7
326.14090	1.7
339.14505	8.4
340.15375	16.8
340.18884	1.2
342.58932	0.9
354.17001	45.8
355.17581	10.5
388.15714	5.5
427.07016	1.0
475.18988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89978	0.4
60.84362	0.3
64.46061	0.3
70.06593	2.2
72.08157	2.6
73.24393	0.3
84.04503	0.6
84.08156	1.0
86.09706	5.5
88.04003	0.4
99.04449	2.5
102.05537	0.4
104.53818	0.4
129.10242	0.5
133.06122	0.6
136.07619	0.5
137.05991	0.7
138.64265	0.4
149.06013	0.9
150.06732	0.5
151.07578	0.7
165.09076	0.7
177.05472	0.9
177.07860	0.7
177.09166	0.5
178.05974	0.5
178.08614	1.7
187.10764	0.8
190.08626	23.5
191.09451	2.3
192.10229	1.6
193.11102	0.6
201.12405	0.5
204.10210	8.1
206.11760	68.9
213.12427	0.4
218.11739	21.6
218.13737	0.8
246.60139	0.4
266.15945	0.4
286.21008	0.4
291.10214	0.9
293.11743	0.4
297.11261	0.8
309.11282	0.9
312.13315	2.9
323.12659	0.4
324.12701	0.7
324.16409	3.5
325.13095	0.5
326.13986	0.7
338.13950	0.8
339.14636	5.7
340.15424	15.6
354.16986	45.4
355.17780	9.5
388.15689	5.4
430.16589	0.6
475.18970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54439	0.6
53.39002	0.5
55.01873	0.8
59.49553	0.6
60.27038	0.6
73.02907	1.1
78.55917	0.6
79.05502	1.0
79.88757	0.6
81.03416	2.8
85.02887	0.8
87.05566	1.0
97.02887	0.8
99.04519	0.8
103.05465	1.6
105.07036	26.8
105.07714	1.1
114.24796	0.8
131.04933	20.7
133.06496	100.0
137.05978	56.1
137.07065	1.5
151.07529	1.0
163.07562	5.3
165.09105	63.3
179.05624	2.0
187.67677	0.7
261.11209	1.3
343.13812	13.9
383.84357	0.7
475.19153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21555	0.9
53.00307	1.3
55.05521	2.4
58.39975	0.8
66.54173	0.9
67.05505	4.9
69.07072	20.8
75.64926	1.0
76.45246	1.1
76.57993	1.0
81.07068	2.5
95.08611	4.3
107.08635	1.4
109.10156	6.6
130.54179	1.1
196.67026	1.1
217.06105	2.4
229.06024	1.8
231.36267	1.2
241.06155	1.8
243.07701	1.3
254.06902	2.2
255.07657	7.0
257.09332	1.8
259.08682	1.3
265.09702	1.7
266.08151	5.0
267.07602	13.4
268.08386	4.4
269.09158	20.8
281.09201	7.7
282.10059	1.8
283.10776	35.5
295.10864	8.1
309.12378	4.2
351.16876	7.9
475.29541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78621	0.4
62.88695	0.5
74.26643	0.6
81.07065	0.9
86.60674	0.5
89.03898	0.9
93.06982	0.6
95.08611	0.8
117.03381	6.2
128.34833	0.6
130.40825	0.6
145.02841	49.6
149.05959	3.2
163.04010	0.5
172.49686	0.6
177.05461	100.0
186.05498	1.1
194.11516	59.3
196.16943	1.1
204.75447	0.6
277.75589	0.6
315.76147	0.6
462.83289	0.6
465.70581	0.7
475.42188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.4
57.03453	19.9
57.03672	2.5
57.07079	25.8
57.82781	2.7
57.97641	2.6
61.02935	27.0
64.36135	2.6
67.05513	24.7
67.69366	2.3
69.03420	10.4
69.07059	16.5
71.08619	17.9
73.02913	6.0
75.53682	2.4
79.05485	15.0
81.03430	3.6
81.07063	37.8
83.08610	13.3
85.02906	16.7
85.10192	4.5
90.38650	2.5
91.03941	13.5
91.05507	9.4
93.07038	33.4
95.08595	35.2
97.02869	18.5
97.10179	11.2
98.98461	16.2
99.04440	4.5
101.02377	2.8
105.07035	15.9
105.11205	2.5
107.08599	32.5
109.02872	3.9
109.10157	27.8
114.74715	2.8
119.08559	22.2
121.06510	2.8
121.10126	22.8
123.11721	4.1
127.03887	3.0
131.08615	4.8
133.10120	15.0
135.11719	20.1
136.99980	17.2
137.13307	4.1
145.10165	11.9
147.11679	12.8
149.13232	4.2
155.01059	16.9
157.10165	3.8
159.11707	4.2
173.13345	3.7
188.36685	3.1
195.91081	3.6
213.16414	4.1
239.23616	5.3
299.24222	3.4
313.27316	37.3
328.20453	2.7
339.28995	3.6
428.84888	2.9
439.35669	9.6
457.36499	4.7
466.68692	3.2
475.27618	19.2
475.32840	19.3
475.38266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3421
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.32944	0.9
55.05518	2.2
57.07079	5.9
59.70535	0.9
65.20973	1.0
67.05511	6.0
69.07052	1.9
79.05496	2.5
81.07071	9.3
83.08643	1.5
85.06532	1.7
91.05492	1.9
93.07044	7.0
95.08604	6.2
105.07070	3.0
107.08591	5.9
107.14774	1.2
109.10126	2.0
111.04443	1.1
119.08585	2.0
121.10139	5.8
121.41207	1.2
125.59306	1.1
133.10191	1.5
135.11717	1.7
137.05997	6.1
142.18135	1.3
149.13290	2.1
158.17209	1.1
175.14738	1.3
176.60298	1.2
181.12234	5.1
194.11520	8.5
196.16930	2.8
197.11722	100.0
243.21049	2.0
250.25932	1.2
251.47609	1.4
253.11136	1.3
261.22220	4.5
277.21609	4.7
439.32065	2.0
457.32901	7.0
475.34134	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73094	0.2
56.36094	0.2
67.05497	1.5
69.07067	1.0
81.07057	3.6
95.08604	3.0
101.05979	0.3
109.10170	2.2
119.08575	0.4
123.11697	1.1
131.08502	0.3
137.09621	4.7
137.13171	0.3
149.09563	0.6
151.14757	0.5
165.09102	100.0
177.09055	0.3
205.12283	3.2
277.21991	0.3
277.25214	0.6
316.75589	0.3
320.09155	1.1
323.25833	2.1
334.10663	1.9
429.33853	0.5
475.15466	0.5
475.34152	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64898	1.0
53.75975	1.0
56.19281	1.0
62.83231	1.1
63.88882	1.2
69.07065	1.7
81.21052	1.3
91.32288	1.2
93.07053	1.4
121.10173	1.4
154.94125	6.6
158.61476	1.2
169.97565	1.3
172.95227	16.8
190.96306	5.0
191.03572	1.5
196.09459	100.0
197.24739	1.6
198.68785	1.2
210.96774	6.1
228.97801	10.4
229.14365	14.1
230.14668	8.9
230.99269	1.4
302.24417	1.6
339.22086	2.9
457.19989	1.8
475.21219	24.5
475.34888	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64898	1.0
53.75975	1.0
56.19281	1.0
62.83231	1.1
63.88882	1.2
69.07065	1.7
81.21052	1.3
91.32288	1.2
93.07053	1.4
121.10173	1.4
154.94125	6.6
158.61476	1.2
169.97565	1.3
172.95227	16.8
190.96306	5.0
191.03572	1.5
196.09459	100.0
197.24739	1.6
198.68785	1.2
210.96774	6.1
228.97801	10.4
229.14365	14.1
230.14668	8.9
230.99269	1.4
302.24417	1.6
339.22086	2.9
457.19989	1.8
475.21219	24.5
475.34888	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76982	0.8
81.07039	1.7
103.08279	1.2
121.43757	1.1
194.11531	100.0
196.16971	7.7
202.25333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74829	0.7
55.05552	0.6
57.03428	0.7
60.33804	0.7
62.47211	0.7
72.59930	0.8
74.86968	0.7
82.23866	0.7
82.29948	0.7
85.42121	0.7
91.31149	0.8
106.44939	0.8
124.78372	0.9
162.18631	0.8
205.41478	0.9
211.86404	0.8
307.08542	1.0
318.07642	1.9
318.20850	1.0
318.82693	1.0
319.08444	7.8
320.09195	9.7
321.09705	1.8
322.10626	1.5
334.10730	12.5
335.11160	1.6
336.12402	8.4
354.07550	1.3
368.09161	4.6
369.09930	5.1
372.08493	6.6
374.10141	21.7
379.08267	14.5
382.07129	13.3
384.08749	1.8
386.10159	9.1
387.11020	3.4
396.08640	4.1
397.09387	13.9
398.10266	1.6
400.07834	1.4
408.08371	3.3
410.06747	1.6
412.11780	37.6
414.09824	1.6
415.10242	1.3
425.08887	3.3
426.09619	17.7
428.07352	1.5
440.11053	3.2
458.12344	100.0
476.13312	16.2
476.20670	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63050	1.2
53.35255	1.6
81.89441	1.8
83.45295	1.6
84.38930	2.0
95.08617	2.1
102.78254	1.6
105.87559	1.9
109.65499	1.7
153.37917	1.9
195.99292	1.6
217.31699	2.1
279.98297	1.8
291.08844	9.2
305.09879	2.1
319.08307	2.8
320.09097	6.4
321.09741	3.0
334.10703	6.8
336.12213	7.8
342.07544	9.3
343.08405	11.3
356.05399	10.6
357.06223	11.8
358.06952	4.3
366.07376	2.6
367.08240	8.4
368.09018	3.7
370.02420	2.3
370.07074	88.1
371.07855	24.3
372.08633	52.6
384.08685	20.3
385.09409	33.4
400.11807	88.6
444.10779	100.0
446.11319	3.1
460.13422	8.8
461.13486	3.5
476.13657	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.7
55.01876	6.5
57.03420	0.6
61.07741	0.4
64.38477	0.4
69.03442	4.7
71.04987	0.8
72.89960	0.4
73.02917	6.8
81.03424	13.1
85.02907	4.3
87.04508	0.8
92.29294	0.4
97.02914	3.5
99.04459	100.0
102.82265	0.5
109.02891	5.2
115.03928	12.2
117.05464	0.6
117.92741	0.4
127.03914	9.1
128.03484	1.1
129.34077	0.5
134.04364	0.5
141.05452	2.7
145.04953	0.7
152.71948	0.5
185.24103	0.4
218.06645	0.9
225.07582	2.1
243.08604	5.4
260.07568	0.5
326.08759	2.3
344.09888	3.7
362.10770	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06652	0.8
69.03487	0.7
75.19695	0.4
85.02979	1.9
86.09779	0.9
89.29532	0.5
89.86067	0.6
97.02946	0.9
104.79517	0.4
107.05052	4.3
117.26829	0.5
120.08165	1.2
125.46394	0.5
137.06084	0.8
162.05576	2.9
163.03951	3.3
164.07120	3.0
167.07147	0.7
168.71991	0.5
174.05492	7.0
176.06984	0.7
200.07208	0.5
232.09641	0.6
268.09674	38.1
296.09207	0.8
312.94507	0.6
314.10236	100.0
314.13535	4.8
356.11371	0.8
476.15289	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30338	0.5
52.85328	0.5
55.01862	0.6
62.94204	0.6
69.03455	1.6
74.02444	33.8
74.02865	1.1
85.02900	6.7
87.05596	4.0
88.03992	49.4
97.02876	2.9
109.02882	1.2
116.03452	25.6
127.03915	5.7
133.06064	10.2
134.04491	100.0
134.06335	2.7
145.04961	3.4
154.90573	0.7
163.06024	0.8
178.08636	0.9
279.59326	0.6
296.11197	0.9
468.59964	0.8
489.80334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61739	1.2
58.05846	1.1
63.15131	1.1
63.89124	1.1
67.05505	2.9
79.05473	1.4
81.07085	5.6
85.91914	1.3
90.39557	1.2
93.07025	3.1
95.08628	1.9
99.24487	1.2
104.03314	1.2
105.07036	1.3
107.08603	1.8
123.41822	1.4
149.05940	1.7
174.06816	2.2
186.06917	1.7
201.09161	5.4
201.24881	1.4
202.06329	2.1
214.06230	21.9
217.08611	8.6
228.06573	27.6
229.07297	18.5
230.05756	19.0
230.08130	16.8
232.09641	23.1
245.08055	53.4
272.09152	22.2
282.95306	1.3
292.09778	3.1
315.41705	1.3
320.09244	12.9
321.10013	12.7
322.10291	2.0
323.11108	5.7
336.12280	32.3
337.12595	5.4
338.13391	8.9
419.95432	1.4
460.13962	1.5
476.17010	100.0
476.23877	18.9
476.31735	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.191
Annotation	Dauricoside
Peak:m/z	Relative Intensity
51.20080	0.4
58.06582	0.6
69.40741	0.5
78.47207	0.5
82.17374	0.4
82.47142	0.4
86.09718	0.5
137.06009	0.5
145.02634	0.4
147.04445	1.1
151.07507	0.6
163.06268	1.0
176.07036	4.1
178.08620	100.0
217.40663	0.5
314.13834	62.8
428.39746	0.5
476.19125	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
56.94775	0.6
58.06604	1.4
63.86862	0.6
65.94850	0.8
78.94204	0.6
85.02909	1.6
89.03937	0.9
91.05466	1.1
93.07055	4.5
95.04968	1.3
99.04457	0.9
103.05471	1.6
107.04973	6.9
117.03378	2.9
121.06506	90.4
122.06023	20.0
125.04744	0.7
126.05521	3.1
127.03938	0.9
138.98117	0.7
144.06551	0.8
145.02847	44.9
148.07559	7.4
150.09189	1.1
162.07614	0.8
177.05464	100.0
207.06508	0.8
228.10150	1.0
229.26711	0.8
244.99718	0.7
246.11237	7.5
264.12292	3.0
282.13269	9.2
334.10635	2.5
433.58829	0.8
440.16989	29.4
458.18079	28.2
476.13052	1.3
476.19211	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32097	0.1
54.80798	0.1
81.96407	0.1
137.05917	0.1
143.04817	0.1
151.07478	0.2
152.07098	0.2
159.98596	0.1
165.09137	0.5
173.95808	0.1
178.08606	0.1
268.13321	0.5
284.09171	0.3
285.09756	0.1
296.12787	0.8
298.10748	5.5
298.14008	0.2
299.11514	27.0
313.13101	0.2
314.13852	100.0
330.85843	0.1
465.28149	0.1
469.95993	0.1
475.29272	0.1
476.19147	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97581	0.5
64.55075	0.5
66.74134	0.5
69.03460	0.6
73.02912	0.5
81.98042	0.5
84.08131	0.6
113.32335	0.6
121.06513	3.6
137.01967	0.5
145.02867	2.9
148.07414	0.6
151.07481	0.9
161.05971	1.2
162.05507	7.3
164.07056	100.0
177.05479	5.2
178.05815	2.5
185.14711	0.6
314.13867	76.8
314.17245	4.0
332.16922	0.7
476.19049	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67153	0.3
58.06534	2.1
58.06789	0.5
64.05272	0.4
67.92527	0.4
133.06493	0.5
138.05461	0.5
151.07492	3.0
161.05890	1.0
165.09071	0.5
193.08473	0.5
268.13486	0.6
284.09106	0.9
285.09653	0.9
296.12943	0.5
298.10648	5.3
299.11517	20.5
313.09073	0.5
314.13849	100.0
457.65829	0.4
476.19266	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68724	0.6
52.20334	0.7
57.34169	0.8
67.80095	0.8
79.23754	0.7
85.02875	1.7
91.05523	1.0
93.07037	3.7
95.04942	1.2
103.05482	0.9
107.04966	7.7
117.03361	3.8
121.06499	92.0
122.06034	18.9
126.05483	3.9
132.22530	0.7
144.06541	0.8
145.02847	45.7
148.07541	5.0
149.06023	1.4
150.09157	1.2
177.05457	100.0
246.11235	11.2
264.12253	1.9
282.13351	9.9
406.19739	0.9
440.16986	27.1
440.22961	1.2
458.18103	35.3
476.19073	34.1
476.24570	1.5
476.32831	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06348	0.6
58.06610	8.6
70.40856	0.4
74.39518	0.3
85.02911	0.7
89.55878	0.4
97.02834	0.5
107.04972	7.2
121.06489	4.1
135.08112	0.6
137.06026	1.4
139.56104	0.4
143.04955	1.9
145.06529	1.4
151.07443	0.6
156.36391	0.3
161.05983	1.5
175.07471	0.6
189.07516	0.5
191.08897	0.5
206.11772	0.6
209.09770	0.5
237.09203	0.7
269.11768	5.2
271.13422	1.9
275.70465	0.4
296.12991	0.6
298.10684	5.4
299.11536	26.8
307.09286	0.6
314.13922	100.0
314.17529	18.1
325.10281	0.5
476.19287	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55276	0.7
58.06621	0.7
69.03395	0.8
70.06586	0.9
70.59989	0.6
71.77586	0.6
72.08149	0.9
74.67768	0.6
75.93955	0.6
77.91711	0.6
80.43594	0.8
84.08162	1.0
85.02913	0.8
86.09725	3.0
87.04554	0.6
97.02895	1.1
99.04479	3.6
107.04987	1.7
109.02913	0.9
123.04430	0.8
147.04405	7.1
192.10284	1.1
201.02469	0.8
210.52533	0.7
255.10156	1.0
298.10699	5.3
299.11539	24.4
305.12183	0.8
314.13831	100.0
332.16992	1.7
476.19315	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35387	0.3
52.58073	0.4
55.03324	0.4
57.03454	0.4
58.06607	27.9
61.14103	0.4
66.63769	0.3
69.03421	0.5
75.60713	0.4
82.82347	0.5
85.02910	0.5
93.69881	0.4
97.02881	0.4
99.04451	0.4
107.04951	8.0
121.06477	1.0
137.05975	3.0
145.06496	0.9
151.07568	4.0
152.06995	0.6
165.09087	0.8
175.07542	2.7
176.07089	0.6
190.08659	0.9
191.08868	0.6
207.08904	13.4
207.10718	0.7
208.09592	0.7
209.09613	1.7
211.11078	0.5
227.12674	0.4
237.09042	1.7
237.17447	0.5
239.10660	0.6
240.98506	0.4
257.08029	0.8
269.11743	7.2
271.13422	0.8
284.09641	0.7
284.18063	0.4
298.10684	6.4
299.11490	23.7
299.14838	0.9
314.13861	100.0
314.17316	7.0
355.13782	0.7
369.14169	0.5
476.19110	49.9
476.23169	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.94588	0.6
58.06613	2.9
70.06598	3.0
72.08161	2.9
83.11714	0.8
84.08134	0.8
85.02923	1.3
97.04934	0.7
105.07039	11.7
116.07112	1.4
122.09683	5.0
137.06007	0.9
150.09180	4.5
151.07556	1.8
152.07069	1.3
163.03812	0.8
164.07085	1.4
180.10263	1.7
195.18588	0.7
198.11264	7.2
215.11169	0.7
216.10307	1.5
216.12279	11.0
249.15967	5.9
270.07678	0.8
277.15607	3.3
297.18243	1.7
298.10678	5.5
299.11508	24.1
299.14847	1.1
307.16486	1.1
314.06851	6.5
314.10355	3.4
314.13834	100.0
325.44849	0.8
363.11282	0.8
392.21967	5.4
458.24557	1.1
462.88696	1.0
476.13266	2.2
476.19278	55.6
476.25354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55276	0.7
58.06621	0.7
69.03395	0.8
70.06586	0.9
70.59989	0.6
71.77586	0.6
72.08149	0.9
74.67768	0.6
75.93955	0.6
77.91711	0.6
80.43594	0.8
84.08162	1.0
85.02913	0.8
86.09725	3.0
87.04554	0.6
97.02895	1.1
99.04479	3.6
107.04987	1.7
109.02913	0.9
123.04430	0.8
147.04405	7.1
192.10284	1.1
201.02469	0.8
210.52533	0.7
255.10156	1.0
298.10699	5.3
299.11539	24.4
305.12183	0.8
314.13831	100.0
332.16992	1.7
476.19315	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79057	0.6
53.64891	0.6
58.06607	9.6
69.03451	0.8
99.04428	0.9
107.04964	6.8
121.06522	4.4
129.28575	0.7
137.06010	3.0
143.04959	1.2
151.07520	10.2
161.05986	0.8
164.07001	4.6
175.07616	0.8
176.07089	1.2
178.08644	51.1
190.08725	1.1
191.08907	0.9
224.29025	0.6
237.09146	0.9
269.11624	3.6
298.10693	0.8
299.11441	2.6
312.15741	1.1
313.12952	1.4
313.16324	1.6
313.26135	0.6
314.10648	3.6
314.13864	100.0
314.17239	9.0
375.52161	0.7
436.19672	0.7
469.26752	0.7
476.18552	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1915
Annotation	Dauricoside
Peak:m/z	Relative Intensity
58.06611	11.1
60.09230	0.5
85.02839	0.8
85.82162	0.5
88.79181	0.5
90.91287	0.5
107.04962	0.7
121.06515	6.0
123.04362	0.9
135.08051	0.8
137.05920	0.9
143.04810	0.7
151.07489	1.4
161.05890	2.6
185.55217	0.5
190.08420	0.9
206.11632	1.2
207.08769	2.7
269.11490	2.9
269.23593	0.6
296.12436	0.6
298.07303	0.7
298.10672	6.4
299.11536	22.5
314.13876	100.0
314.17319	9.9
315.22137	0.6
355.17200	1.0
377.03751	0.6
402.37006	0.8
405.21823	0.7
476.18552	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68724	0.6
52.20334	0.7
57.34169	0.8
67.80095	0.8
79.23754	0.7
85.02875	1.7
91.05523	1.0
93.07037	3.7
95.04942	1.2
103.05482	0.9
107.04966	7.7
117.03361	3.8
121.06499	92.0
122.06034	18.9
126.05483	3.9
132.22530	0.7
144.06541	0.8
145.02847	45.7
148.07541	5.0
149.06023	1.4
150.09157	1.2
177.05457	100.0
246.11235	11.2
264.12253	1.9
282.13351	9.9
406.19739	0.9
440.16986	27.1
440.22961	1.2
458.18103	35.3
476.19073	34.1
476.24570	1.5
476.32831	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	5.8
69.03439	0.9
70.06601	1.7
72.08170	0.9
85.02905	1.5
97.02893	0.8
107.04950	4.4
114.61221	0.7
116.07093	1.4
137.06012	0.9
151.07545	1.3
161.06010	0.9
162.05510	0.9
164.07135	0.8
175.11946	0.7
178.08621	6.2
187.14494	1.2
190.08673	2.9
191.09065	1.2
206.11726	7.2
207.08963	7.7
207.12131	7.0
218.11766	1.6
219.12140	2.8
243.09792	0.8
251.06883	2.6
298.10678	5.2
299.11533	20.4
313.13440	0.7
314.10275	13.0
314.13788	100.0
340.15262	1.7
341.15823	1.8
354.17007	1.1
355.17349	7.0
356.18082	2.7
376.13116	0.8
416.17014	1.1
445.14346	0.7
476.19214	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76715	0.5
62.86483	0.6
67.05476	0.7
74.20056	0.6
78.39735	0.7
79.89468	0.6
81.51516	0.6
89.03893	0.7
111.82455	0.6
116.93805	0.6
134.49776	0.6
149.05977	1.4
167.55453	0.7
176.07036	2.3
177.91692	0.6
193.00951	0.6
194.80463	0.6
204.15288	0.7
218.08076	0.7
229.12329	1.3
242.08096	0.7
292.09653	14.8
304.09637	3.0
304.26230	1.3
306.07611	5.0
320.09192	15.9
321.09955	38.1
336.12280	100.0
362.13873	0.8
385.16776	0.9
386.13629	0.7
387.14459	1.4
390.17303	0.9
476.20508	27.3
476.24823	13.3
501.49045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89443	1.2
65.20225	1.3
67.05500	1.4
84.96115	1.3
107.08549	1.3
145.06567	1.8
149.05995	3.3
158.06013	5.3
175.06352	2.0
176.07088	5.3
189.09103	1.7
202.09955	7.7
204.06590	5.5
217.12279	7.4
230.08061	2.0
232.09683	21.2
242.08157	5.4
245.15337	10.0
292.09763	7.7
320.09265	6.6
321.10001	19.9
336.12274	42.0
392.29391	1.4
432.18103	9.0
476.20670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09153	0.8
58.06317	1.4
58.06604	38.7
73.06496	0.9
79.26776	0.7
90.41456	0.8
119.53806	0.9
137.41534	0.8
182.04070	1.0
184.35419	0.8
191.08549	5.5
205.10097	0.8
208.08791	1.3
219.08025	13.1
220.08846	7.6
221.09471	3.3
223.11160	5.9
233.09579	7.3
236.08270	18.5
237.09116	1.3
247.07498	5.6
248.08389	5.9
249.05577	1.0
249.09135	0.9
250.09854	3.7
251.10663	31.2
261.09070	2.0
263.07022	4.8
264.07816	8.9
275.07019	2.0
276.07825	1.0
277.05017	3.7
279.10156	40.2
281.11935	1.4
292.07245	24.8
294.11234	1.2
296.11734	3.6
307.09692	8.8
308.08405	1.0
310.09814	1.4
319.08243	2.9
320.09082	3.7
323.11313	1.5
324.11768	4.8
325.12119	7.9
334.10638	4.0
339.10129	1.4
371.12860	1.2
384.09821	1.8
399.12247	6.9
401.09866	1.8
416.12457	16.4
431.14828	21.7
432.13913	1.8
460.13846	22.2
461.14160	3.9
476.15024	11.8
476.21542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46232	0.3
64.65512	0.4
67.05485	0.9
67.89074	0.4
73.33089	0.3
81.07075	1.2
95.08576	0.5
95.37875	0.4
96.92004	0.4
105.07029	0.4
113.19231	0.4
119.87843	0.4
126.60745	0.4
245.14311	0.3
290.08121	0.5
292.09702	2.8
320.09149	100.0
333.10101	0.4
334.10712	0.5
335.25699	3.1
336.12253	1.6
360.93854	0.4
383.06339	0.9
435.06183	0.6
453.07022	0.5
476.20630	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74115	0.3
57.70037	0.3
60.41742	0.3
66.05856	0.3
72.27962	0.3
80.62880	0.4
96.66962	0.3
111.80564	0.4
140.68910	0.4
142.94525	0.3
209.68680	0.4
221.27045	0.4
232.84727	0.4
292.09531	2.5
292.68472	0.4
307.08383	1.9
320.09167	100.0
321.09839	2.2
322.10703	13.8
334.10785	1.4
336.12289	8.7
390.13367	0.7
418.12958	0.5
476.20773	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60190	1.4
58.06613	26.4
64.08244	1.5
67.25988	1.5
69.03435	2.6
69.39800	1.8
69.90568	1.7
70.06596	4.2
72.08157	3.7
74.33923	1.7
76.57872	1.6
85.02911	2.0
86.09715	19.6
86.14910	1.6
107.04958	36.7
120.50211	1.9
121.06490	7.8
137.05974	9.1
143.04939	9.9
147.04408	3.7
147.08099	2.1
151.09523	1.8
175.07501	8.5
178.08643	13.8
192.10152	2.3
193.94987	1.9
237.09140	3.8
269.11652	19.3
271.13309	4.1
314.10086	7.2
314.13818	32.0
314.17502	39.5
361.16571	2.1
476.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80707	1.5
53.56063	1.2
54.09390	1.0
56.57094	1.4
57.12758	1.2
58.06607	46.4
58.99774	1.1
59.85691	1.2
63.30479	1.5
69.85813	1.3
85.02897	3.1
107.04960	21.8
121.06503	18.3
135.08011	2.1
137.05959	2.6
143.04901	8.6
145.06569	4.7
159.08047	2.1
161.05983	8.1
175.07452	2.2
190.08589	9.7
191.09015	6.1
237.09073	2.8
269.11652	20.2
271.13217	2.8
299.11679	2.9
314.13800	28.5
314.17450	39.5
337.66147	1.9
417.45190	1.5
476.23407	100.0
477.91620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	26.2
61.02913	0.4
64.18533	0.3
69.03423	1.4
73.02921	0.5
85.02913	3.2
90.03934	0.3
92.11592	0.4
97.02900	1.6
107.04957	33.8
111.93677	0.3
111.94501	0.4
121.06480	6.1
127.03915	0.7
127.20071	0.3
137.05968	6.5
143.04912	9.9
145.06490	6.6
147.08067	1.4
151.07547	1.7
163.07584	0.7
175.07521	6.1
177.09155	1.5
192.10234	1.5
193.10948	0.7
194.11813	0.8
206.11777	0.4
207.12442	0.4
209.09680	1.4
211.11179	1.5
237.09041	4.0
239.10759	2.0
269.11722	19.3
271.13306	4.3
282.14926	0.7
283.13245	0.8
314.17493	32.7
396.95154	0.4
476.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39058	0.4
55.65569	0.5
58.06606	22.2
61.02939	0.5
65.95068	0.5
68.49828	0.5
69.03432	1.1
74.25538	0.5
83.27691	0.5
85.02895	3.2
87.04475	0.9
97.02881	0.7
107.04956	34.2
109.02882	0.8
116.55758	0.7
121.06490	6.3
124.43912	0.7
137.05980	6.2
143.04910	9.1
145.05391	0.9
145.06444	6.3
147.08069	1.2
151.07564	2.8
175.07545	5.6
177.09077	0.9
188.07072	0.9
189.07552	1.1
192.10156	0.6
194.11726	1.1
207.08577	0.6
209.09682	1.2
231.10258	0.6
237.09029	4.5
239.10715	1.0
269.11707	16.8
271.13336	5.3
282.14734	0.9
283.13361	3.3
314.10147	4.8
314.13943	2.3
314.17450	28.2
394.55341	0.6
476.15808	9.9
476.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	20.0
66.46770	0.6
67.19283	0.6
71.29641	0.6
74.15842	0.6
76.13255	0.5
82.32748	0.6
85.02908	2.7
88.28785	0.6
91.17974	0.5
102.83173	0.6
107.04954	17.0
121.06492	9.5
123.04452	1.1
135.08017	0.9
137.05963	3.7
143.04919	4.9
145.06493	3.2
151.07545	11.5
161.06015	1.3
164.07050	3.5
175.07547	3.4
176.07018	0.9
178.08632	46.2
192.10170	1.3
194.11876	0.8
237.09180	2.5
255.93712	0.7
269.11697	10.6
271.13284	3.1
296.09268	0.9
312.15961	1.0
313.13049	0.9
313.16309	3.3
314.10608	3.9
314.13843	100.0
314.17386	24.0
318.88358	0.7
370.98767	0.7
476.18747	38.9
476.22910	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21264	0.4
55.29993	0.4
57.62434	0.5
58.06608	24.5
65.85632	0.4
69.03442	1.0
73.02919	0.4
80.63519	0.4
85.02916	3.3
86.09712	0.7
87.04457	0.9
95.39011	0.5
97.02879	1.1
99.04447	0.8
107.04958	36.0
115.05436	0.7
120.68662	0.6
121.06508	5.9
126.35203	0.4
127.03953	0.5
137.05975	5.5
143.04922	10.4
145.06505	5.6
147.08054	0.8
151.07544	2.0
163.07495	0.9
164.11931	0.4
165.09077	0.6
175.07513	6.8
177.09113	1.1
192.10237	1.1
194.11807	1.8
209.09698	1.7
211.11301	0.8
219.08145	0.5
222.65295	0.5
237.09116	5.6
239.10741	2.0
269.11700	19.5
271.13217	4.1
283.13269	0.5
314.17474	31.0
398.37949	0.5
456.51794	0.5
476.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	84.3
62.22854	1.0
62.86739	1.1
65.98428	1.0
73.02910	1.2
85.02891	4.6
97.02959	1.5
107.04958	24.6
121.06523	2.0
137.05988	7.7
143.04869	1.8
145.06485	5.6
151.07527	5.4
163.07542	2.0
164.07080	8.7
175.07570	6.7
178.29086	1.0
192.10153	1.1
193.47223	1.1
209.09694	1.8
237.09090	5.4
263.72894	1.1
269.11716	20.6
271.13327	5.6
298.10898	7.5
299.11496	16.2
314.13837	56.3
314.17493	14.1
427.89328	1.3
465.30005	1.1
476.23486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	24.1
66.83688	1.2
69.03428	1.5
70.06598	1.7
70.27734	1.0
71.66722	1.0
78.25888	1.0
85.02921	2.8
86.09719	1.9
97.02924	1.3
107.04962	32.5
111.30374	1.3
121.06523	9.3
137.06020	5.9
143.04964	6.4
145.06529	4.8
171.82379	1.2
175.07594	7.4
178.08566	1.6
192.10324	1.7
203.06969	1.2
203.30536	1.1
207.06763	1.3
209.09579	1.4
237.09180	2.0
269.11676	17.8
271.13361	2.3
291.08960	1.7
314.13919	4.6
314.17416	26.2
404.98236	1.1
456.47849	1.2
476.22946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21264	0.4
55.29993	0.4
57.62434	0.5
58.06608	24.5
65.85632	0.4
69.03442	1.0
73.02919	0.4
80.63519	0.4
85.02916	3.3
86.09712	0.7
87.04457	0.9
95.39011	0.5
97.02879	1.1
99.04447	0.8
107.04958	36.0
115.05436	0.7
120.68662	0.6
121.06508	5.9
126.35203	0.4
127.03953	0.5
137.05975	5.5
143.04922	10.4
145.06505	5.6
147.08054	0.8
151.07544	2.0
163.07495	0.9
164.11931	0.4
165.09077	0.6
175.07513	6.8
177.09113	1.1
192.10237	1.1
194.11807	1.8
209.09698	1.7
211.11301	0.8
219.08145	0.5
222.65295	0.5
237.09116	5.6
239.10741	2.0
269.11700	19.5
271.13217	4.1
283.13269	0.5
314.17474	31.0
398.37949	0.5
456.51794	0.5
476.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37336	0.7
57.28667	0.8
58.06611	31.5
59.61443	0.8
62.99993	0.8
68.33799	0.8
69.03432	1.9
85.02893	3.7
91.04098	1.0
101.28528	0.8
107.04958	38.7
107.05681	2.1
121.06493	11.4
137.05977	6.9
143.04903	12.6
145.06494	7.4
147.08061	1.2
151.07495	1.5
161.05980	1.6
163.07452	1.2
175.07516	6.2
177.09029	1.0
188.07108	1.1
209.09711	1.1
211.11244	1.8
234.67262	0.9
237.09074	4.2
269.08517	1.5
269.11661	22.3
271.13330	6.2
282.14786	1.3
283.13477	2.2
298.10614	1.6
299.11517	8.9
314.13773	30.5
314.17471	52.8
476.23126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	0.4
51.02114	0.4
55.94993	0.4
58.06311	0.9
58.06608	25.9
61.02938	0.6
64.76008	0.5
68.71832	0.4
69.03443	1.1
71.56594	0.4
73.02905	0.5
76.33956	0.4
85.02921	2.5
87.04476	0.5
97.02921	1.6
107.04958	34.7
109.02905	0.4
115.05512	0.5
121.06508	7.4
127.03975	0.7
137.05986	6.7
137.06725	0.4
143.04932	9.9
145.06467	4.6
147.04433	0.4
147.08104	0.9
149.06038	0.5
151.07640	2.3
161.06067	0.7
163.07623	0.8
175.07510	5.5
176.10620	0.6
177.09137	2.0
188.07166	1.8
189.07637	0.9
190.08385	0.6
192.10300	1.0
194.11838	0.7
206.08333	0.6
207.08508	0.9
207.12386	0.5
209.09653	1.1
211.11285	0.7
237.09061	6.3
239.10776	2.6
269.11740	16.5
271.13254	3.3
283.13409	0.4
298.10880	0.7
299.11557	6.4
307.09207	0.6
314.10193	2.5
314.13992	25.4
314.17691	40.7
325.10352	0.6
338.05795	0.6
389.12585	0.5
417.32944	0.4
476.16449	8.3
476.23035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	100.0
69.03424	1.5
76.53367	1.2
76.68030	1.1
82.74836	1.3
85.02918	2.2
91.46429	1.2
107.04961	31.0
121.06496	7.5
137.06026	4.7
145.06458	5.1
147.08073	2.2
151.07542	6.6
152.07054	1.7
164.07082	10.1
175.07581	11.8
209.09673	1.9
234.28816	1.3
237.09082	4.8
242.99527	1.3
269.11758	21.3
271.13187	1.9
298.10815	7.1
299.11584	24.1
314.13950	90.6
314.17502	19.0
476.17950	21.7
476.22513	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06500	0.2
104.07601	0.3
131.94516	0.3
292.09702	2.6
304.09442	0.4
306.07559	1.1
308.12766	1.1
318.07715	0.5
320.09167	8.5
321.09897	8.9
322.10645	1.6
334.10965	0.5
335.11221	0.3
336.12292	100.0
338.13321	0.4
351.07645	0.3
464.54886	0.3
476.24414	42.2
476.38321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15795	1.9
56.72823	1.9
56.78155	2.2
57.07074	5.6
65.08959	1.9
69.07072	2.3
71.08611	8.6
85.10191	5.2
110.30714	2.2
120.96635	15.6
122.52579	2.8
136.50356	2.6
176.99281	3.0
195.00323	13.9
220.99005	2.5
234.88068	2.4
313.27393	39.5
353.27078	2.3
388.82635	2.5
415.22284	18.6
433.23224	43.3
476.27560	100.0
476.34454	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06100	54.1
64.30240	3.1
67.05502	31.1
67.51557	3.3
69.07069	5.4
69.85201	3.3
72.30090	3.2
79.05487	20.0
81.07056	29.4
91.05481	15.1
93.07058	27.8
95.08587	30.3
95.37991	3.7
98.98481	8.0
102.27852	3.3
105.07018	7.8
107.08581	19.3
109.10156	8.8
117.07012	5.8
119.08572	7.0
121.10142	17.7
123.11745	4.0
131.08563	9.1
133.10167	7.6
145.10141	4.9
147.11714	5.6
148.36449	4.1
149.13217	5.5
155.01016	5.3
161.15732	4.5
163.14725	4.9
168.02515	4.2
173.13255	4.8
191.07004	3.8
261.22131	18.8
304.26352	4.7
317.24615	4.5
319.08362	6.9
320.09140	35.2
321.09903	15.0
334.10739	24.5
335.10928	6.0
335.25809	100.0
336.12268	81.7
415.22217	17.4
431.16711	3.9
444.10443	12.8
446.97495	4.0
458.26614	44.4
476.13443	8.9
476.20526	21.2
476.28259	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
67.05512	7.1
69.07077	3.7
79.05498	2.1
79.41042	0.4
81.07059	7.4
83.08621	1.1
83.78185	0.5
85.05277	0.7
86.06055	0.5
91.05533	0.5
93.07043	2.8
95.08617	7.3
97.10156	0.7
98.06041	6.2
105.07045	0.8
107.08601	3.0
109.10165	2.6
112.07606	0.8
119.08553	0.8
121.06476	0.5
121.10117	0.9
123.11684	1.0
135.11659	0.9
147.11719	0.7
166.12239	0.6
168.13805	0.5
182.15398	0.7
208.16971	1.1
222.18494	0.8
223.02580	0.5
292.09497	0.8
304.26349	100.0
308.37015	0.5
320.09222	1.8
321.09802	4.0
322.10422	0.6
336.12262	12.4
337.12601	0.8
338.13055	0.9
417.52985	0.6
425.53528	0.5
476.23929	5.6
476.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.3
56.61794	2.2
57.03444	3.5
58.36866	2.7
61.90423	2.1
62.06091	3.6
64.04603	1.9
67.05508	28.1
69.07069	8.6
70.12126	2.2
71.76610	2.3
79.05501	15.9
81.07068	35.4
91.05479	5.6
93.07045	20.0
95.08607	24.5
98.98465	2.3
102.23548	2.1
105.07010	9.4
107.08604	11.9
109.10172	9.9
119.08549	10.8
121.10123	3.7
121.59743	2.5
123.11662	2.7
131.08578	5.6
135.11725	6.1
149.13264	3.3
161.13284	3.5
173.13174	3.5
186.94955	2.9
247.92590	2.3
291.38934	2.4
294.11530	2.4
306.07602	8.9
318.07407	3.1
319.08270	5.7
320.09143	74.8
321.09662	17.3
322.10355	13.7
323.11346	9.6
334.10709	14.7
335.21771	3.2
335.25818	100.0
336.08752	3.6
336.12253	79.8
338.13669	13.4
350.10245	15.6
415.22726	4.2
458.26605	6.1
476.20474	34.6
476.27945	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
57.03436	7.2
57.48826	1.0
62.21659	1.0
67.05507	27.4
69.07059	7.9
74.66910	0.9
79.05499	11.8
80.85959	1.0
81.07063	27.4
83.08620	2.7
91.05478	5.0
93.07040	20.1
95.08606	26.5
97.06490	1.3
105.07024	4.9
106.18495	1.1
107.08613	10.6
109.10169	11.5
111.89517	1.1
119.08569	2.8
121.10154	9.8
123.08074	1.3
123.11673	1.5
131.08546	2.1
135.11678	5.3
145.10098	2.6
149.13248	2.1
159.11743	1.3
173.13319	1.8
235.59224	1.2
248.18440	1.1
292.09357	1.2
304.26309	4.1
320.09201	5.0
321.09668	5.2
322.10660	1.7
335.25763	100.0
336.12363	2.7
476.22070	1.9
476.28171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80825	4.4
57.45736	4.9
62.06080	35.1
67.05507	22.1
69.07067	19.9
79.05502	14.2
81.07070	42.8
86.65647	6.0
93.07045	27.9
95.08612	41.1
98.71208	6.4
107.08583	13.0
108.69106	7.2
109.10149	23.7
121.10171	12.8
204.46461	5.8
204.50618	5.0
231.12297	6.6
320.09174	27.9
321.09485	9.3
322.10049	8.6
335.25818	100.0
336.12369	27.1
399.73245	6.3
441.26013	6.1
458.26443	33.3
476.21179	26.0
476.27692	43.5
476.36981	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
55.05503	2.1
67.05512	7.1
69.07077	3.7
79.05498	2.1
79.41042	0.4
81.07059	7.4
83.08621	1.1
83.78185	0.5
85.05277	0.7
86.06055	0.5
91.05533	0.5
93.07043	2.8
95.08617	7.3
97.10156	0.7
98.06041	6.2
105.07045	0.8
107.08601	3.0
109.10165	2.6
112.07606	0.8
119.08553	0.8
121.06476	0.5
121.10117	0.9
123.11684	1.0
135.11659	0.9
147.11719	0.7
166.12239	0.6
168.13805	0.5
182.15398	0.7
208.16971	1.1
222.18494	0.8
223.02580	0.5
292.09497	0.8
304.26349	100.0
308.37015	0.5
320.09222	1.8
321.09802	4.0
322.10422	0.6
336.12262	12.4
337.12601	0.8
338.13055	0.9
417.52985	0.6
425.53528	0.5
476.23929	5.6
476.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99584	0.5
58.06584	0.7
73.10338	0.8
88.03971	1.5
94.42753	0.7
137.05989	2.6
151.07585	5.6
169.03210	1.5
175.06290	0.9
178.59306	0.7
180.10181	3.3
181.03172	3.6
190.08623	28.0
191.09404	9.5
192.10272	3.5
195.04796	1.1
208.09660	8.1
209.02658	5.9
222.05800	5.9
250.05388	1.0
268.06387	6.7
285.05676	1.0
293.08093	8.9
296.05557	3.6
307.34274	0.8
308.10361	13.0
309.05728	2.7
310.12039	0.7
311.09158	3.3
315.14056	1.3
319.07013	1.0
324.12473	1.0
326.11398	7.9
329.08438	1.7
338.13910	2.6
339.06830	10.8
339.14655	1.6
343.10168	1.0
372.12766	1.5
390.13867	6.1
432.14624	0.8
467.17850	0.8
476.73236	0.8
477.16867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99584	0.5
58.06584	0.7
73.10338	0.8
88.03971	1.5
94.42753	0.7
137.05989	2.6
151.07585	5.6
169.03210	1.5
175.06290	0.9
178.59306	0.7
180.10181	3.3
181.03172	3.6
190.08623	28.0
191.09404	9.5
192.10272	3.5
195.04796	1.1
208.09660	8.1
209.02658	5.9
222.05800	5.9
250.05388	1.0
268.06387	6.7
285.05676	1.0
293.08093	8.9
296.05557	3.6
307.34274	0.8
308.10361	13.0
309.05728	2.7
310.12039	0.7
311.09158	3.3
315.14056	1.3
319.07013	1.0
324.12473	1.0
326.11398	7.9
329.08438	1.7
338.13910	2.6
339.06830	10.8
339.14655	1.6
343.10168	1.0
372.12766	1.5
390.13867	6.1
432.14624	0.8
467.17850	0.8
476.73236	0.8
477.16867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
55.01875	2.6
55.05518	8.8
57.03442	6.5
58.06620	1.9
60.76628	1.3
67.05511	18.1
69.03434	3.7
69.07072	9.1
71.04990	3.1
73.02915	1.7
75.01923	1.3
75.04488	1.7
79.05500	14.0
81.03404	11.2
81.07064	25.1
83.04962	6.0
83.08637	3.0
85.02902	2.0
91.05484	12.8
93.07049	16.7
95.04977	6.5
95.08627	16.8
97.02891	3.5
97.06526	2.2
97.10155	3.8
98.38685	1.5
99.04449	2.5
104.40860	1.6
105.07069	15.1
107.04987	3.3
107.08596	13.1
109.06541	2.9
109.10174	8.8
117.07001	11.4
119.08572	15.4
121.06496	9.4
121.10143	8.4
123.04508	2.3
127.03874	2.2
129.06987	10.9
131.08566	23.7
133.06560	2.7
133.10153	10.0
135.08092	1.8
135.11685	2.2
141.06985	6.6
143.08583	16.6
145.06490	3.6
145.10129	19.6
147.08115	3.6
147.11728	9.3
155.08556	17.9
157.06502	2.7
157.10062	17.6
159.08089	8.3
159.11728	14.4
161.09628	3.8
161.13292	3.6
165.07054	1.6
166.07893	2.4
167.08611	11.0
168.09459	2.0
169.10089	20.4
171.08089	9.5
171.11671	16.9
173.09692	8.0
173.13316	7.7
179.08611	3.1
181.10141	10.4
182.11002	1.6
183.08083	7.8
183.11687	18.5
185.09662	9.0
185.13292	10.0
187.11180	7.5
187.14714	2.0
189.12880	1.9
190.05299	1.7
193.10196	2.2
195.08134	3.1
195.11700	9.6
197.09654	9.9
197.13281	12.9
199.11241	10.7
199.14821	3.9
201.09155	2.1
201.12776	6.4
207.11734	2.6
209.09633	3.6
209.13312	7.5
211.11247	8.2
211.14894	3.7
213.12813	6.7
215.10655	1.5
215.14314	1.8
219.11827	1.7
221.13261	3.1
223.11223	8.6
223.14803	3.1
225.12766	7.2
227.14253	3.1
237.12834	3.6
237.16473	1.7
239.14276	3.0
249.37648	1.7
251.14470	2.0
295.20462	2.1
297.22260	6.4
307.20740	1.9
309.22092	1.7
321.22049	3.8
322.10574	2.3
325.21826	6.7
337.12595	3.3
337.21497	2.5
339.14273	2.7
339.23203	6.6
349.21353	12.5
367.22763	23.0
373.23431	1.7
385.23785	12.9
387.25903	2.8
391.72394	1.7
399.25366	3.6
403.25238	3.2
413.26843	2.5
417.26343	19.1
429.26144	14.0
441.26361	43.7
459.27386	65.8
477.28543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.26004	2.8
55.01881	4.0
55.05506	6.4
55.62034	2.8
57.03441	6.6
67.05515	20.9
69.03444	3.7
69.07067	14.9
73.02920	3.6
79.05524	23.8
81.03422	13.7
81.07072	26.5
83.08623	5.8
85.02925	3.4
91.05487	13.9
93.07049	22.6
95.04980	14.3
95.08613	22.5
97.10159	6.1
99.04438	3.9
105.07040	22.2
107.04912	4.2
107.08600	6.6
109.06514	6.6
109.10160	8.2
111.04388	4.3
111.49856	3.2
117.06997	15.7
119.08611	13.4
121.06456	12.8
121.10143	13.1
129.06990	12.9
131.08580	21.8
133.06503	4.6
133.10135	7.5
134.55087	3.2
135.08052	4.1
135.11705	4.0
139.07578	4.4
141.07059	6.6
143.08603	23.6
144.78464	3.0
145.06500	5.9
145.10126	19.9
147.11635	6.5
149.09598	4.4
155.08580	17.7
157.06523	5.4
157.10175	24.8
159.08051	12.5
159.11708	16.3
161.09569	3.9
167.08533	6.7
169.06451	4.0
169.10130	23.7
171.08054	7.5
171.10152	3.1
171.11653	16.8
173.09641	5.5
173.13239	5.2
175.07495	3.5
179.08574	4.1
181.10149	14.2
183.08116	7.1
183.11618	22.8
185.09644	18.3
185.13266	7.8
187.11249	5.7
189.12808	4.0
195.11765	13.2
197.09660	13.5
197.13260	16.4
199.11160	5.6
209.13225	5.0
211.11208	5.8
211.14940	6.5
213.12819	4.1
223.14821	3.3
225.12766	4.6
269.19073	4.0
297.22122	3.8
321.21915	3.9
325.21576	6.6
336.12207	4.2
337.12561	4.0
337.21857	4.9
339.14075	3.6
339.23361	3.7
349.21655	14.2
367.22574	23.5
373.23572	7.4
385.23669	15.1
387.25101	4.2
413.27209	4.1
417.26511	7.5
423.25317	3.9
429.26389	17.2
441.26239	57.5
459.27475	71.6
459.33707	5.3
477.28830	100.0
477.35541	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45604	1.5
55.01871	1.5
55.85157	1.4
61.02936	2.9
67.05506	3.3
69.03432	11.9
71.04992	3.1
73.02924	1.8
79.05524	3.0
81.03407	7.7
81.07066	9.5
85.02914	52.2
85.06542	8.6
91.03948	1.5
91.05495	1.7
93.07053	15.1
95.04984	1.4
95.08601	6.4
97.02903	16.2
97.93293	1.6
98.78418	1.5
104.74023	1.8
105.07034	10.2
107.08577	17.8
109.02885	7.4
109.10168	4.0
117.06997	3.0
119.08573	9.7
121.10148	8.1
127.03910	10.8
129.07016	1.9
129.38527	1.8
131.08583	8.1
133.10144	11.0
135.11729	2.9
143.08595	7.5
145.04967	10.4
145.10129	25.0
147.11696	8.2
151.07607	3.1
155.08595	2.6
157.10135	13.7
159.11687	15.2
161.13367	2.0
169.10062	2.4
171.11649	8.5
173.13257	10.4
175.14835	2.4
177.12798	2.6
183.11720	2.5
185.13142	5.7
189.05516	1.5
189.12726	2.2
191.14351	2.7
195.11646	6.0
197.13301	6.7
198.03799	1.8
199.14847	10.2
203.14294	4.1
209.13240	3.2
213.16336	12.3
217.15895	2.7
223.14917	7.7
225.16400	3.3
227.17929	3.8
237.16368	2.9
239.17921	3.9
249.26730	1.7
253.19514	10.1
255.17625	2.8
267.01706	1.7
279.21121	19.8
297.18750	3.2
297.22131	100.0
300.06320	9.5
315.08615	70.1
315.23193	49.6
321.09869	2.2
322.10495	3.4
334.10828	3.8
336.12280	9.4
337.12534	12.7
441.25534	2.1
459.26715	2.4
477.21124	9.2
477.28259	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
51.75432	3.4
55.05515	4.2
57.03442	3.4
67.05514	6.9
69.07056	8.7
79.05502	7.8
81.03432	7.7
81.07058	23.4
81.31582	3.5
83.08593	4.0
91.05503	15.6
93.07050	18.1
95.04951	4.2
95.08611	22.2
97.02899	4.5
97.10201	3.8
102.02433	3.8
105.07035	8.6
107.04977	4.0
107.08568	14.3
109.06509	3.6
109.10181	5.0
112.63843	3.0
117.07018	19.2
119.08584	20.7
121.08526	3.3
121.10193	4.4
129.07016	14.0
131.08560	20.8
133.10172	7.6
135.11688	5.1
141.06990	7.0
143.08554	25.2
145.10129	22.9
147.11661	5.1
155.08542	15.5
157.06531	3.8
157.10143	21.7
159.08047	5.7
159.11716	6.4
167.08633	4.9
169.06491	5.2
169.10156	20.3
171.08035	7.8
171.11711	19.7
173.09647	6.4
173.13281	7.0
181.10078	8.7
183.08105	4.1
183.11685	7.9
185.09613	5.6
185.13290	5.5
189.35011	4.4
197.13271	8.5
207.11699	8.2
209.13322	6.5
211.11230	6.8
211.14758	4.4
223.11163	5.3
225.12862	5.0
305.26666	20.1
320.09302	36.9
321.09534	72.8
322.10428	5.4
336.12167	18.4
337.12640	23.6
339.23224	5.7
349.21503	6.5
367.22614	20.6
385.23544	7.7
387.25116	6.0
417.26230	7.1
429.26218	16.1
433.17221	4.6
441.26257	42.9
452.90057	4.6
459.27359	54.0
477.20966	64.8
477.28378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
50.08442	1.8
55.05515	11.0
57.03450	4.1
62.55029	2.2
67.05499	18.1
69.07062	11.9
79.05489	11.2
81.03423	9.8
81.07053	16.1
83.08636	3.2
85.02894	3.1
90.43386	2.5
91.05469	15.5
92.21634	2.5
93.07042	13.7
95.04972	3.4
95.08604	18.6
97.10167	3.3
99.04412	2.8
105.07019	11.8
107.08589	9.0
109.06571	3.6
109.10132	5.1
117.07019	13.1
119.08572	12.9
119.76554	2.4
121.06521	5.5
121.10144	5.1
123.08006	2.7
129.07019	16.7
131.08612	18.0
131.09470	1.9
133.06499	3.2
133.10097	10.7
135.11725	2.5
140.72690	2.3
141.07014	4.3
141.85411	2.5
143.08571	12.0
145.06497	5.2
145.10132	15.3
147.08067	4.6
147.11662	4.6
150.64716	2.1
155.08572	9.7
155.85506	2.5
157.06436	3.4
157.10115	15.4
159.08043	3.0
159.11694	5.2
161.09578	3.3
161.13185	2.9
167.08597	5.2
168.09396	2.3
169.10141	17.8
171.08011	5.4
171.11707	13.3
173.09590	3.7
173.13289	5.2
179.08597	4.0
181.10063	9.5
183.08058	6.0
183.11688	16.1
185.09671	3.0
185.13245	13.5
193.10129	2.9
195.08057	3.6
195.11700	10.8
197.09572	3.9
197.13255	5.6
199.11081	4.9
199.14763	3.5
207.11688	3.5
209.13290	11.6
211.11192	3.3
211.14767	5.1
211.62677	2.5
213.12840	2.9
217.12247	2.9
221.13167	3.0
223.14842	2.4
239.14235	3.9
265.15750	2.7
295.20563	2.9
297.22183	3.3
320.09106	5.2
321.09647	23.9
325.21542	4.5
335.11060	3.0
336.12436	11.9
337.12604	15.8
339.23172	4.3
349.21637	12.4
367.22604	15.7
375.25238	3.1
385.23785	5.2
417.26379	17.1
429.26367	10.3
441.26276	42.2
459.27444	53.1
477.21002	20.9
477.28372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26826	0.7
67.05508	1.5
72.38825	0.7
81.07077	1.8
83.08617	0.9
99.73538	1.0
102.58720	0.9
121.27763	0.9
180.19125	0.7
196.17001	3.3
220.33603	0.8
445.29221	6.2
477.31879	100.0
477.38367	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
55.52933	0.5
56.05039	2.9
56.19004	0.5
60.67023	0.5
67.05514	2.9
69.07063	2.5
70.06589	0.8
81.07064	6.0
83.08595	1.3
84.08128	2.3
93.07041	1.1
95.08589	5.5
105.06996	0.6
109.10130	1.1
119.08569	0.9
135.11653	0.7
142.43623	0.6
149.13239	1.3
153.41306	0.6
161.13280	1.4
170.63815	0.6
178.15863	1.3
179.14264	0.9
196.16962	100.0
198.14752	0.6
213.19603	15.3
277.21585	0.8
460.41495	5.7
477.37863	1.6
477.44299	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77994	1.2
58.06599	2.8
67.05527	1.3
68.35382	1.3
71.29356	1.2
72.93757	1.8
95.51464	1.4
98.90448	1.4
105.07053	1.6
146.23598	1.5
156.25598	1.4
167.07033	34.5
233.12521	1.4
237.14970	2.6
308.09183	17.3
317.10480	6.8
320.09189	40.1
321.09781	6.1
322.07037	6.6
330.11456	1.9
335.11536	1.9
336.08655	20.0
336.12155	3.6
337.09369	20.8
338.13922	2.6
348.12415	2.3
350.06168	2.0
351.10980	8.1
352.11752	8.1
365.09036	2.7
380.11279	100.0
422.16010	3.4
478.14850	47.3
478.22058	35.8
478.28366	8.2
478.33710	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73462	1.0
59.91022	1.1
60.04493	1.0
60.36714	1.0
65.03966	1.5
77.74001	1.3
79.05502	2.1
81.03432	5.6
84.04520	2.2
84.15527	1.4
85.02930	1.6
86.09676	1.8
95.04980	1.2
96.08132	6.0
98.09696	1.4
99.04447	7.5
101.12992	1.4
106.06557	28.3
108.08087	8.4
109.02856	2.2
119.04961	6.4
121.06523	2.4
124.07595	23.2
127.03924	1.3
134.06000	16.7
136.07632	1.6
137.06053	1.3
145.02905	2.6
147.04410	100.0
152.07063	72.6
165.05441	1.3
170.08099	31.2
176.07233	1.5
177.05493	8.0
178.08643	7.2
194.11758	2.3
218.76344	1.2
252.10178	2.4
280.09717	1.6
297.82004	1.4
314.12692	1.4
332.13461	1.6
367.19598	1.5
451.16849	1.4
460.15799	11.3
478.17032	79.0
478.26489	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12580	1.0
55.01880	5.3
57.03423	1.0
58.06588	2.4
61.02945	1.9
63.78389	1.0
67.76572	1.3
69.03416	6.6
72.08139	1.5
81.03432	2.3
85.02907	16.6
87.04449	1.5
97.02880	9.1
100.02209	6.7
107.04955	19.8
109.02827	1.3
121.06520	11.6
122.02707	5.3
122.05979	1.7
123.04393	2.4
124.89664	1.2
125.05945	5.0
127.03900	2.5
134.06078	1.7
135.04367	2.1
137.06001	6.0
138.06287	1.7
142.03224	1.4
143.04927	1.8
146.02742	12.1
146.05937	1.7
153.04306	2.5
153.05475	47.5
158.02644	1.7
161.05971	6.9
162.05490	11.1
163.03914	6.7
163.06146	1.9
164.07065	55.4
165.07452	1.4
170.69498	1.3
171.01108	2.8
176.07141	2.4
188.03732	6.3
190.05005	9.5
192.10153	1.8
195.06520	31.2
207.08060	10.2
208.06055	19.9
225.09071	1.5
227.03654	2.5
235.07542	33.3
241.08658	2.1
248.05830	6.3
253.08533	26.7
257.08206	1.3
266.06964	17.5
269.08215	2.2
270.11160	22.8
281.08118	7.6
298.10757	6.7
316.08359	6.7
316.11789	36.6
316.15048	4.0
466.69479	1.3
478.16956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37555	1.0
61.02932	1.9
68.81708	1.2
69.03431	3.2
76.61311	1.2
82.70650	1.4
83.31645	1.4
85.02917	12.9
85.03422	1.5
87.04453	1.7
97.02910	2.6
101.30919	1.6
107.04960	19.1
120.08102	1.7
121.06501	9.8
123.04409	1.8
127.03949	2.7
135.06819	1.6
137.05989	5.4
143.04910	3.2
147.88390	1.4
152.07141	2.1
161.06007	6.6
162.05495	8.6
163.06284	3.0
164.07072	17.0
176.07068	2.6
177.05432	1.7
178.08583	2.5
204.37704	1.4
207.08034	3.1
208.06075	7.0
235.07608	12.9
241.08440	1.5
253.08588	46.3
256.22128	1.4
270.11237	71.6
281.07962	1.8
298.10590	3.1
316.08289	2.8
316.11758	38.5
316.15121	2.1
432.16415	3.0
454.22504	1.7
478.17139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	45.0
75.60663	0.9
81.72063	0.8
92.21461	1.0
100.94450	0.7
127.53056	0.8
131.08626	0.8
137.02344	72.5
137.03299	2.8
140.68217	0.8
146.82703	0.8
192.08614	0.8
192.10222	5.0
197.72646	0.9
230.14334	0.8
244.25848	1.0
265.08588	3.6
282.08942	1.9
294.55273	1.0
297.11218	10.2
345.11194	1.2
358.08475	1.1
359.09033	3.3
373.10849	4.0
386.07693	1.0
401.10281	12.6
418.10568	8.0
433.12833	18.2
478.18640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53534	1.3
54.09761	1.3
60.04531	22.4
81.07047	2.3
82.44695	1.6
85.02921	3.0
95.08566	2.0
97.10134	1.9
101.99383	1.8
109.10160	1.8
116.80120	1.5
123.91777	1.6
143.78239	1.6
165.05858	1.6
248.64514	1.6
280.26373	2.3
306.28043	3.3
316.28491	12.2
320.08963	2.1
330.11209	2.0
346.10605	6.8
358.10776	8.7
359.11447	8.1
360.08521	2.4
360.12451	2.0
361.09338	3.4
374.10025	19.8
374.13904	5.0
375.11188	12.9
376.11569	13.1
383.15131	2.2
390.13147	3.0
401.16016	2.8
402.16943	10.0
404.18250	2.4
414.16891	6.6
417.15720	13.6
432.12234	3.6
432.18076	100.0
450.18979	3.2
460.17526	30.1
476.02100	1.8
478.33813	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	45.0
75.60663	0.9
81.72063	0.8
92.21461	1.0
100.94450	0.7
127.53056	0.8
131.08626	0.8
137.02344	72.5
137.03299	2.8
140.68217	0.8
146.82703	0.8
192.08614	0.8
192.10222	5.0
197.72646	0.9
230.14334	0.8
244.25848	1.0
265.08588	3.6
282.08942	1.9
294.55273	1.0
297.11218	10.2
345.11194	1.2
358.08475	1.1
359.09033	3.3
373.10849	4.0
386.07693	1.0
401.10281	12.6
418.10568	8.0
433.12833	18.2
478.18640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97473	0.7
58.06607	58.1
70.06589	1.0
70.96516	0.8
72.08149	7.5
91.70959	1.0
99.04449	0.9
111.67739	0.8
118.08636	5.2
121.06421	1.1
128.07082	3.6
137.02339	83.2
218.13855	6.2
235.14488	2.0
265.08655	3.8
282.08798	1.6
297.11218	11.4
298.68347	0.9
299.12842	1.0
345.11307	3.3
359.09021	1.5
373.10785	6.3
394.23492	1.3
401.10233	14.2
415.11493	1.1
418.10550	8.4
433.12744	23.7
460.87717	1.0
478.18585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81299	2.0
64.92300	2.3
66.34602	2.1
69.03422	4.3
73.40043	2.3
81.03444	2.6
85.02917	19.9
86.09718	29.4
91.05450	4.7
97.02881	4.9
108.08113	4.2
110.07187	4.9
119.04916	3.5
123.04418	5.3
124.61945	3.0
127.03933	2.7
132.10201	20.0
134.04482	4.3
136.07613	17.9
137.05981	100.0
137.07576	2.9
144.06578	4.6
147.86647	3.0
149.06021	4.5
152.07095	11.4
153.05499	3.1
154.04976	15.7
156.07651	6.0
162.07623	4.6
165.05421	10.6
166.08638	12.9
178.08568	3.8
182.08090	11.5
227.35832	2.7
280.11835	10.1
290.40100	2.4
298.12869	38.5
316.13898	3.0
323.12247	5.6
332.13226	4.1
356.56586	3.2
377.76703	2.6
460.18167	35.0
478.19342	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27287	0.4
70.06596	0.4
70.88750	0.3
78.66283	0.3
81.03428	2.3
85.02915	0.9
90.06971	0.4
97.02884	0.4
99.04446	0.9
109.02861	2.6
117.03383	1.7
145.02855	25.0
149.05992	0.5
155.02623	0.4
177.05470	100.0
188.07135	0.5
193.57735	0.4
195.06516	0.9
299.11264	1.8
321.09659	2.1
339.10767	7.6
478.26370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.8
57.11573	0.9
58.06315	2.9
58.06606	84.7
60.84590	1.1
63.74350	1.4
65.19086	1.1
69.03436	2.3
70.81634	1.1
72.08150	2.7
74.06082	3.1
80.20548	1.2
84.08150	40.0
85.02896	15.4
86.09707	1.5
87.04494	1.8
91.03948	1.2
97.02867	2.5
99.04487	1.8
101.10828	1.9
107.04973	9.0
121.06481	6.0
123.04414	21.9
127.03918	2.8
129.10231	10.4
134.04475	1.6
135.04393	1.9
137.05954	12.4
139.03896	1.7
143.04942	6.7
161.05984	22.6
162.05537	4.7
163.06323	1.6
163.07559	2.9
164.07060	6.1
164.15302	1.3
167.11786	2.7
169.13377	5.0
175.46260	1.3
176.07083	2.1
177.10257	2.6
195.11191	1.9
197.12840	1.8
208.06027	5.1
212.13924	5.1
233.13174	3.1
235.07529	7.8
241.08478	2.0
253.08536	31.1
255.10295	1.6
263.07117	1.5
270.11224	77.1
271.09540	12.7
273.11084	3.1
276.13785	1.6
316.11749	24.6
316.15408	59.8
335.39014	1.3
395.03696	1.4
432.16434	6.3
478.20389	100.0
478.27063	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32790	0.8
69.03442	2.0
72.04507	9.2
79.81527	1.0
83.40255	1.0
85.02905	8.3
97.02908	2.2
99.04457	1.9
99.70310	1.0
107.04956	53.7
120.23585	1.1
120.88864	1.0
121.02858	1.1
121.06515	4.4
133.06546	1.3
137.05980	20.0
137.06946	1.3
138.06781	1.9
139.86320	0.9
143.04959	6.0
145.06500	5.8
148.02719	1.0
151.07550	2.0
162.09187	1.7
163.03885	8.5
163.07570	2.3
164.07060	1.2
175.07526	16.1
176.08372	1.0
178.52629	0.9
180.10135	1.2
192.10181	17.2
195.08266	1.0
209.09750	6.3
218.08353	1.0
223.07632	5.0
225.09048	1.6
237.09116	7.1
244.11116	2.3
253.08810	3.9
255.10214	2.3
256.10974	5.1
257.11786	2.0
269.11728	23.3
285.11227	3.9
298.14612	2.4
299.15244	1.9
301.15839	1.2
316.15421	34.2
478.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26047	0.1
58.58400	0.1
61.02927	0.3
65.82471	0.1
67.94883	0.1
69.03433	1.3
70.06577	0.3
73.39271	0.1
77.66406	0.1
81.03412	0.8
85.02900	3.1
87.04465	0.4
90.56940	0.1
91.03948	0.1
93.07009	0.2
95.04964	0.2
97.02909	1.5
99.04433	0.4
101.02390	0.2
103.05439	0.2
107.04955	43.9
109.02893	0.6
110.06107	0.2
117.06953	0.2
119.04929	0.3
121.06503	11.7
125.06005	0.2
127.03912	0.8
131.04898	1.8
133.02872	0.2
133.06467	0.7
145.06477	6.0
145.07567	0.3
147.04405	4.1
149.08365	0.6
153.05467	8.2
153.06723	0.4
159.04404	11.0
159.80762	0.1
160.58595	0.1
161.05966	0.3
162.09128	0.3
165.05415	0.3
167.07037	1.8
173.06015	0.7
173.16893	0.1
177.05487	0.3
178.06317	0.2
178.08640	0.6
178.81873	0.2
179.07037	4.0
179.08591	0.3
181.08717	0.1
185.09656	0.2
191.07018	9.1
191.08733	0.4
193.08650	1.1
193.66292	0.2
194.08130	1.4
196.09686	6.5
205.08588	0.2
207.08253	0.3
208.09680	5.9
213.09161	2.0
221.27364	0.2
222.11284	1.7
224.08040	0.2
225.05640	0.2
225.09099	4.5
235.07542	0.8
241.08565	2.4
249.08844	0.2
253.08577	14.5
257.08258	0.2
258.08832	0.4
265.08646	0.2
267.10184	1.5
270.08789	1.2
273.11237	4.6
275.06769	0.2
284.12936	0.7
285.11197	27.1
287.12769	1.6
299.12869	1.4
301.12949	1.1
316.15414	76.3
478.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50440	0.3
51.61948	0.2
56.59048	0.3
57.59271	0.3
65.98276	0.3
66.08504	0.3
76.25607	0.3
85.02921	0.4
133.37347	0.3
137.05975	2.9
143.04889	1.9
147.04378	1.2
152.07019	0.6
161.05962	4.7
177.05511	1.5
178.08627	100.0
227.75195	0.4
260.51080	0.4
285.11276	1.9
310.87024	0.4
316.15475	8.0
340.13995	1.9
354.96646	0.4
478.20779	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23626	0.8
58.06589	4.6
60.46110	0.8
69.03432	1.8
72.04508	4.2
75.68089	0.8
78.78353	0.8
80.07912	0.8
85.02911	4.8
88.03983	1.0
97.02902	2.2
107.04958	49.2
108.05322	1.5
116.07061	1.3
116.60266	0.8
121.06502	10.1
127.03891	1.5
127.61272	0.9
133.06525	1.0
137.05994	8.1
143.05013	2.6
143.06015	0.9
145.06493	5.9
147.04457	2.1
153.05469	8.1
156.91196	1.1
159.04378	6.9
161.05980	1.0
175.07593	4.4
178.08583	3.9
179.07019	4.0
191.07016	6.2
192.10178	8.3
196.09695	5.6
208.09683	6.5
209.09619	1.2
213.09195	1.1
225.09198	1.2
237.09131	4.0
253.08562	9.8
255.10086	1.5
256.10992	1.6
269.11670	7.4
270.11960	1.4
271.12265	1.0
273.11243	1.5
285.11240	17.7
301.12363	1.4
315.18079	1.2
316.11639	2.1
316.15366	65.6
335.53119	0.9
454.06451	1.0
478.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71998	0.2
55.38577	0.2
60.59689	0.2
61.02919	0.2
66.86423	0.2
69.03418	0.4
70.06582	0.5
85.02896	1.1
87.04449	0.3
97.02896	0.3
99.04403	0.3
116.07156	0.7
123.04352	0.3
137.05975	3.2
143.04915	1.7
147.04401	1.7
151.07570	0.5
152.07045	0.9
161.05986	3.5
175.07594	0.3
178.08632	100.0
179.09431	0.3
250.38168	0.3
252.01952	0.3
285.11304	1.1
316.15442	8.0
316.18854	0.5
340.13925	2.7
478.20834	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	42.5
62.70502	0.5
63.11151	0.5
65.94909	0.5
69.03436	0.8
72.04536	0.6
72.08173	0.8
85.02929	3.7
97.02908	0.8
103.59887	0.7
107.04958	22.7
107.05666	0.9
121.06569	3.0
123.12455	0.6
127.03961	0.8
133.43019	0.7
137.06023	2.3
139.03981	2.5
142.21396	0.6
145.06528	3.1
151.07529	0.7
153.05531	1.3
159.04480	3.6
166.86438	0.6
175.07660	2.4
177.05560	3.8
179.07050	1.1
179.75211	0.6
190.08655	0.8
191.09070	0.8
192.10187	3.2
196.09721	1.1
196.48537	0.6
208.09819	1.1
209.09697	0.8
213.32706	0.7
269.11838	3.6
271.09622	9.6
273.11380	1.2
289.04797	0.6
309.11145	0.6
316.11835	2.1
316.15405	52.6
340.07458	1.0
478.20953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32626	0.4
54.00269	0.4
55.03771	0.4
57.03449	0.5
58.06601	4.6
61.02925	1.0
69.03432	4.4
69.92408	0.4
70.06619	0.5
73.02927	0.6
81.03416	1.9
84.08134	0.8
84.25331	0.4
85.02909	8.3
85.03381	0.7
87.04459	2.0
87.05596	2.1
88.03999	0.7
92.66676	0.5
94.14099	0.6
97.02910	2.5
99.04443	3.8
107.04958	7.9
109.02857	0.6
111.58342	0.5
116.07049	0.5
121.06517	2.7
123.04424	19.9
127.03928	2.4
133.06139	2.9
137.05968	7.0
143.04886	5.9
145.05019	0.8
145.06508	0.8
151.07555	1.0
153.05481	0.9
159.04382	1.2
160.05080	0.6
161.06009	3.5
163.07538	2.3
175.07532	16.7
176.08385	0.5
177.07843	1.9
178.08655	3.4
179.07027	0.7
180.10229	0.6
191.07118	0.9
192.10188	86.9
195.08046	0.5
196.09560	0.6
207.08116	0.8
213.09140	2.0
225.09108	2.4
235.07590	0.6
241.08669	1.0
253.08514	5.4
255.10097	0.6
267.10233	0.8
273.11258	3.5
285.11206	15.0
287.12698	0.8
316.11948	1.9
316.15405	38.5
426.51993	0.6
433.17270	0.6
478.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31370	0.4
56.86543	0.3
61.02934	0.4
69.03407	2.1
70.06584	0.5
83.49919	0.3
85.02910	5.1
87.04434	1.7
97.02856	2.3
99.04432	0.6
109.02843	0.6
123.04428	12.6
127.03883	0.9
131.04941	0.4
135.04369	0.5
137.05948	4.3
141.69287	0.4
143.04927	5.5
147.04341	0.6
151.07503	0.6
161.05975	2.7
163.07475	1.6
175.07539	11.6
177.07864	2.3
178.08646	0.9
180.10185	0.4
192.10190	100.0
213.08946	0.5
225.09023	1.0
241.08644	0.7
242.83308	0.4
253.08524	3.3
255.10202	0.6
273.11209	2.1
285.11206	12.9
287.12750	0.5
316.11670	0.7
316.15396	17.4
478.20746	70.6
502.42157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32790	0.8
69.03442	2.0
72.04507	9.2
79.81527	1.0
83.40255	1.0
85.02905	8.3
97.02908	2.2
99.04457	1.9
99.70310	1.0
107.04956	53.7
120.23585	1.1
120.88864	1.0
121.02858	1.1
121.06515	4.4
133.06546	1.3
137.05980	20.0
137.06946	1.3
138.06781	1.9
139.86320	0.9
143.04959	6.0
145.06500	5.8
148.02719	1.0
151.07550	2.0
162.09187	1.7
163.03885	8.5
163.07570	2.3
164.07060	1.2
175.07526	16.1
176.08372	1.0
178.52629	0.9
180.10135	1.2
192.10181	17.2
195.08266	1.0
209.09750	6.3
218.08353	1.0
223.07632	5.0
225.09048	1.6
237.09116	7.1
244.11116	2.3
253.08810	3.9
255.10214	2.3
256.10974	5.1
257.11786	2.0
269.11728	23.3
285.11227	3.9
298.14612	2.4
299.15244	1.9
301.15839	1.2
316.15421	34.2
478.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54430	1.6
54.73569	0.9
66.38958	1.0
74.64707	1.0
85.02901	2.2
88.03944	1.2
95.05061	1.1
107.04950	37.9
121.06499	5.9
131.51738	1.1
141.75809	1.3
145.06502	6.0
147.04393	1.7
153.05458	8.4
159.04436	9.3
175.04926	1.3
179.06998	2.2
191.06989	6.6
192.10110	1.4
196.09709	5.3
208.09723	2.8
213.09132	1.9
225.09105	2.4
253.08566	16.6
270.08942	1.2
273.11090	1.4
285.11166	21.2
316.15408	59.1
366.68781	1.4
478.20993	100.0
503.01797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36269	0.6
58.06609	53.2
69.03440	0.8
75.79157	0.7
77.98177	0.8
85.02891	4.4
92.21522	1.0
101.83266	0.7
107.04968	21.6
110.15769	0.9
121.06493	4.5
133.97275	0.7
137.06026	0.8
139.03906	3.0
145.06494	3.4
147.08040	1.3
153.05519	2.8
159.04434	3.9
167.84654	0.8
177.05499	5.2
179.67616	0.7
190.08620	1.6
191.09364	1.4
192.10092	1.1
195.02238	0.8
196.09758	1.3
197.09789	0.8
208.09575	0.9
222.05753	1.0
227.10735	0.8
244.27127	0.8
253.08453	1.0
271.09586	12.5
273.11230	4.0
298.14294	0.9
305.19125	0.9
316.12164	3.3
316.15433	67.0
478.21054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36269	0.6
58.06609	53.2
69.03440	0.8
75.79157	0.7
77.98177	0.8
85.02891	4.4
92.21522	1.0
101.83266	0.7
107.04968	21.6
110.15769	0.9
121.06493	4.5
133.97275	0.7
137.06026	0.8
139.03906	3.0
145.06494	3.4
147.08040	1.3
153.05519	2.8
159.04434	3.9
167.84654	0.8
177.05499	5.2
179.67616	0.7
190.08620	1.6
191.09364	1.4
192.10092	1.1
195.02238	0.8
196.09758	1.3
197.09789	0.8
208.09575	0.9
222.05753	1.0
227.10735	0.8
244.27127	0.8
253.08453	1.0
271.09586	12.5
273.11230	4.0
298.14294	0.9
305.19125	0.9
316.12164	3.3
316.15433	67.0
478.21054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75484	0.4
58.06597	5.4
60.57124	0.5
62.71097	0.6
69.43850	0.5
74.39585	0.5
80.73096	0.6
86.41663	0.5
86.88009	0.5
88.80628	0.5
97.49527	0.5
147.09171	0.6
158.74350	0.6
165.36490	0.7
175.08702	2.4
201.10223	0.7
207.91603	0.6
216.10143	0.6
251.11893	1.0
258.11285	0.5
292.09674	13.3
297.12439	3.2
304.11954	3.5
306.07648	3.6
306.10968	0.6
318.07983	0.6
320.09152	31.4
321.09952	30.1
323.11505	0.8
330.11212	0.6
334.10886	2.6
335.11685	0.6
336.12268	100.0
337.13174	3.0
338.13824	1.4
343.13034	1.3
348.12460	1.1
352.15445	7.7
380.11115	0.6
390.18338	0.7
448.17700	1.2
450.20593	1.2
450.32874	0.6
458.27887	0.7
478.22107	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60609	0.5
79.05470	0.6
81.59738	0.5
98.76185	0.5
102.47863	0.6
229.62059	0.5
292.09674	9.6
304.09534	1.0
306.07703	2.4
307.08429	0.9
320.09152	27.3
320.12750	1.1
321.06442	0.8
321.09937	31.6
322.10745	6.8
336.12286	100.0
478.22272	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2223
Annotation	(+)-SNF 4435D
Peak:m/z	Relative Intensity
52.01884	0.5
72.02005	0.5
149.06006	0.9
176.07056	5.2
200.54819	0.6
229.08656	2.3
252.54553	0.6
306.11267	4.9
316.09634	5.0
317.10464	12.7
318.11343	1.0
320.09198	22.8
321.09592	3.0
322.10651	4.7
330.11179	7.0
334.10748	12.1
335.11505	17.9
336.12308	9.7
348.12268	19.5
349.12915	1.0
362.13925	3.4
390.16843	0.9
404.18552	2.9
432.18103	0.7
446.19641	10.1
448.17432	9.7
463.20059	0.8
478.22244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00567	0.5
58.06587	1.0
88.50592	0.7
92.19716	0.6
93.31306	0.6
149.05989	3.1
161.05983	0.8
176.07056	17.2
178.08661	1.6
225.12747	2.6
229.08575	7.1
255.13805	1.4
276.62418	0.7
306.11243	3.9
307.08469	3.3
316.09714	1.4
317.10413	8.0
320.09143	18.2
321.09927	3.3
322.10718	36.7
330.11285	3.3
334.10690	8.1
335.11475	12.6
336.12265	22.8
337.05829	1.4
337.12814	0.9
348.12292	14.4
352.08115	3.4
352.15396	1.5
362.13715	2.8
404.18512	4.1
446.19675	5.3
448.17499	7.6
463.19739	1.1
478.22229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78868	0.3
51.36967	0.3
57.20188	0.4
72.21754	0.3
83.58491	0.4
92.42794	0.4
98.46644	0.4
122.89207	0.4
219.41907	0.5
291.98532	0.4
292.09711	8.9
304.09738	0.8
305.24246	0.4
306.07846	2.7
320.09161	11.7
321.09961	30.7
322.10812	2.8
336.12302	100.0
454.08618	0.5
478.22278	53.2
503.18823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14272	0.3
51.20866	0.3
71.06929	0.5
75.88977	0.4
92.21490	0.5
109.87846	0.4
153.37390	0.4
191.19780	0.5
195.76685	0.4
201.75264	0.4
290.08145	0.5
292.09692	1.0
304.15540	0.5
307.44186	0.5
308.12790	0.6
320.09122	11.0
321.09903	3.8
322.10764	0.6
334.10645	0.5
336.12274	100.0
478.22302	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2225
Annotation	(+)-SNF 4435D
Peak:m/z	Relative Intensity
57.16584	0.5
58.06604	0.5
70.02045	0.5
101.12633	0.7
208.77209	0.6
245.43956	0.6
247.58098	0.6
252.58484	0.5
292.09753	1.2
308.12878	2.2
320.09155	19.2
321.09894	5.7
334.10873	2.7
336.12292	100.0
348.12720	0.6
478.22293	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72989	0.4
65.30162	0.4
65.46619	0.4
65.59930	0.5
71.96438	0.5
85.02795	0.6
85.89845	0.4
93.06921	0.6
95.08537	0.6
97.02797	0.5
99.04392	1.2
105.06995	0.5
110.45531	0.5
121.06503	4.0
121.07182	0.7
145.10057	0.6
164.06976	0.7
258.21213	0.6
292.09628	9.4
298.22278	1.1
304.09543	2.0
306.07498	2.4
314.13925	0.7
316.23557	0.7
320.09180	9.9
321.09946	30.9
322.10703	0.9
323.11310	1.1
334.11035	0.7
336.12277	100.0
337.12515	0.6
338.13742	4.8
354.86844	0.5
420.10788	2.7
432.10638	4.6
478.12317	5.9
478.22333	49.9
501.29123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56257	0.2
60.49126	0.2
82.08402	0.2
88.87352	0.2
116.70747	0.2
180.61923	0.2
222.08101	0.2
222.10335	0.3
248.35982	0.2
290.08215	0.5
292.09656	2.7
302.11282	0.3
304.06091	0.4
304.09406	0.2
306.07776	0.2
307.08365	0.4
308.09171	0.3
308.12805	1.2
319.08273	1.7
320.05371	0.4
320.09158	9.3
321.09869	4.4
322.10703	0.9
323.11459	0.3
334.10739	4.7
336.12280	100.0
338.13724	0.8
372.08548	0.4
433.28998	0.2
478.22351	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88990	1.1
52.02308	0.8
53.03945	4.1
60.32572	1.0
64.45483	0.8
69.03432	4.1
71.08636	21.7
73.02915	17.7
78.47191	0.9
81.03426	11.2
84.32373	0.8
85.02914	4.8
87.04462	1.4
96.98701	0.9
97.02891	19.7
99.04457	100.0
99.08092	20.4
109.02886	7.7
109.19712	1.1
127.03897	14.8
145.04942	2.3
149.05998	2.0
150.30219	0.9
176.07053	22.0
178.08652	4.1
193.69221	1.0
225.07611	3.5
225.12746	2.0
229.08618	4.9
243.08606	19.6
255.13919	3.6
275.85544	1.1
292.09683	5.7
313.14438	1.3
320.09219	16.0
321.09952	17.4
322.10651	2.2
323.15060	1.2
325.58087	1.0
336.12302	50.4
341.16006	21.7
359.17068	11.1
478.22165	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
57.34443	0.3
62.06083	0.4
62.19450	0.3
67.05502	2.0
69.07074	2.1
70.70745	0.3
79.05522	0.4
81.07061	1.6
83.08587	0.8
92.21533	0.6
95.08599	1.6
97.10163	0.5
98.06043	4.6
98.98455	0.4
107.08579	0.5
109.10136	0.8
136.04036	0.4
145.43303	0.4
153.87872	0.4
208.16957	0.7
214.88451	0.4
223.26936	0.4
306.27908	100.0
324.28937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	RKS-1778
Peak:m/z	Relative Intensity
55.05506	1.9
60.04525	1.8
61.40974	0.4
62.06117	0.4
67.05497	2.0
68.87667	0.4
69.07058	3.2
81.07068	2.2
83.08611	0.7
95.08585	2.0
97.10175	0.7
98.06051	4.5
173.49266	0.5
306.27899	100.0
478.33539	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
57.03447	0.5
57.07088	0.5
60.04526	5.2
62.06093	0.5
67.05504	2.4
69.03426	1.0
69.07081	3.3
72.04512	2.0
74.06078	0.5
81.03436	0.6
81.07050	3.6
83.08623	1.8
85.05296	0.7
86.06110	0.6
88.03964	0.9
93.07035	0.6
95.08611	3.1
98.06047	5.8
99.04456	2.0
105.07059	0.5
109.10128	0.9
117.05502	2.1
118.04997	3.8
121.10150	0.8
182.15404	0.5
206.10199	0.6
222.18517	0.7
280.26285	0.6
298.27408	0.6
306.27902	100.0
316.28412	1.1
419.50543	0.5
460.32254	1.7
478.33853	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.70966	2.7
51.79514	2.8
55.05520	14.5
57.03436	6.9
57.07079	6.0
58.86066	3.5
59.99881	3.2
60.04524	7.2
60.07655	4.1
62.06087	28.4
67.05515	29.4
68.20898	3.0
69.07073	18.5
73.85962	3.2
74.06075	20.0
79.05493	8.9
80.02134	2.9
81.07073	38.6
83.08603	8.1
84.04528	6.5
85.41512	3.5
86.06058	6.3
93.07034	15.8
94.03915	3.8
95.08607	39.2
97.10149	5.8
98.98455	7.2
107.08589	7.5
109.10138	17.8
119.08606	4.1
121.10175	6.4
123.11739	5.7
137.13014	3.8
144.10191	14.9
155.01003	4.9
206.10257	19.8
306.27798	8.8
321.09689	7.0
322.10654	7.6
337.27301	100.0
460.28033	21.9
460.33420	7.0
478.22385	8.4
478.29086	35.1
478.35062	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05517	11.5
57.03439	8.1
57.07069	3.0
65.92072	1.6
67.05519	22.0
69.07084	20.7
74.06075	2.2
74.22887	1.7
79.05502	7.3
81.07065	23.4
83.08627	11.2
91.05492	2.4
93.07043	7.4
95.08606	22.1
97.10182	2.9
105.07075	4.1
107.08566	2.9
109.10160	9.3
111.08053	2.4
119.08619	2.5
123.11731	2.8
130.72691	1.6
132.64429	1.8
133.10136	3.0
137.13243	2.2
147.11763	1.9
163.14815	1.7
337.27325	100.0
401.37231	2.0
474.17035	1.9
477.46082	1.9
478.34122	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62941	0.4
52.16804	0.5
55.05517	3.0
56.05035	0.6
60.04536	4.5
62.06113	0.4
63.84374	0.5
64.45584	0.5
67.05499	3.2
69.03419	0.5
69.07071	4.3
71.04972	0.5
71.08642	0.6
72.04497	0.7
74.06081	1.0
75.29858	0.6
75.96453	0.6
79.05498	2.2
81.03391	0.8
81.07053	4.9
83.08620	2.1
84.04510	1.1
85.02893	0.6
86.06082	2.2
89.68446	0.6
93.07051	0.9
95.04972	0.5
95.08613	2.4
97.02895	0.9
98.06060	6.1
99.04467	0.5
102.05540	1.0
103.64072	0.6
105.07034	1.2
107.08651	0.6
109.10159	3.3
119.08581	1.0
121.10165	0.7
123.11684	2.0
133.10133	0.8
145.10071	0.5
188.09233	0.6
206.10272	1.3
222.18492	0.7
233.39903	0.6
234.24763	0.7
306.27908	100.0
324.28610	0.7
336.12540	0.7
337.12317	0.6
338.12802	0.8
355.69467	0.7
423.85117	0.6
437.18491	2.8
442.31531	1.0
460.32712	7.9
478.24097	1.0
478.33813	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	5.3
60.04535	7.9
69.03439	7.7
76.52790	4.8
81.07085	7.0
98.06062	6.2
99.04455	23.6
106.05067	5.2
116.55397	5.7
117.05531	11.9
118.04997	45.4
121.24167	6.5
320.09174	42.4
321.09613	39.4
460.33127	9.8
478.20563	23.3
478.33777	100.0
483.96405	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39697	0.4
51.04532	0.4
53.50084	0.4
71.83655	0.5
78.58486	0.5
84.08145	1.1
90.11733	0.4
95.21025	0.4
95.96566	0.4
97.67785	0.5
126.52039	0.5
126.84518	0.5
164.10704	0.6
205.43921	0.4
240.63690	0.5
245.05052	0.6
254.65933	0.5
395.19003	1.2
479.11630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67273	0.8
57.01090	0.9
62.21141	0.9
63.55494	0.9
64.23979	1.1
70.65334	0.8
79.62985	1.1
101.75838	1.0
142.54730	1.1
208.10060	1.3
270.32947	1.1
466.95172	1.2
479.11603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1162
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
51.91407	0.6
61.07343	0.6
69.03416	0.7
81.03424	1.1
84.04513	0.8
84.08133	2.9
85.02894	2.9
86.09758	0.7
97.02877	0.8
99.04455	4.3
128.16972	0.7
137.05992	1.1
147.04489	1.2
184.38773	0.8
195.14909	1.0
197.06616	0.9
199.04446	0.8
202.03578	0.7
287.09970	1.3
317.11771	0.8
338.09351	2.6
347.09943	3.8
375.17688	0.8
395.19235	5.0
421.18262	0.7
425.20306	1.2
461.20987	5.6
479.11603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
58.06589	1.0
58.17807	0.7
60.35519	0.5
65.81123	0.5
67.05521	0.7
71.08625	0.6
72.21838	0.6
81.07026	0.9
84.83690	0.6
90.61539	0.6
91.05515	1.0
92.20954	0.6
94.04390	0.6
98.00220	0.6
101.77107	0.5
107.08602	0.9
130.06519	1.2
144.04428	1.2
178.55548	0.6
198.19443	0.6
208.85165	0.6
263.09525	1.1
278.08246	1.3
291.08890	35.2
292.09753	1.4
306.03976	0.9
306.07590	29.0
318.07755	1.4
319.08368	3.1
320.09143	7.5
321.09616	6.7
322.10876	1.1
323.07907	3.5
333.06210	0.8
334.07083	1.3
334.10767	0.9
335.07684	1.1
336.12152	4.7
338.13739	0.7
385.49292	0.8
405.12317	1.1
417.12415	1.0
419.13965	1.4
421.11792	5.9
433.11859	3.1
435.13400	4.8
443.27997	0.8
447.13483	2.3
449.11349	20.0
461.29062	0.7
463.13068	1.3
464.13669	3.1
479.16052	100.0
479.21783	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03655	0.4
50.20468	0.6
55.96658	0.5
58.06602	0.6
58.81823	0.6
77.41424	0.6
78.44817	0.6
79.15275	0.5
112.92578	0.5
130.06555	2.7
144.04445	0.8
192.53650	0.5
194.97604	0.6
263.09372	1.3
278.08032	1.4
291.08865	40.2
292.06171	0.8
292.09726	2.8
306.07587	25.7
318.07587	3.0
319.08429	3.9
320.09192	7.7
321.09814	5.1
323.07883	4.9
333.06308	1.0
334.07156	2.2
334.10855	0.9
336.12335	4.8
346.07086	1.1
405.11987	0.9
417.12387	1.0
419.13861	3.3
420.14661	0.8
421.11868	6.0
433.11932	3.2
435.13632	6.0
445.11862	0.9
447.13397	2.5
449.11313	19.0
463.12695	2.9
464.13629	2.5
479.15997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46058	1.3
52.24883	1.1
56.40944	1.4
59.08716	1.4
70.18375	1.4
70.71581	1.4
79.72538	1.5
91.05470	7.7
92.20976	1.8
95.04971	2.6
105.06995	2.3
107.08607	2.9
109.06493	2.0
110.41426	1.5
115.05443	2.4
118.13905	1.4
119.04948	8.5
121.06479	8.2
123.08081	3.1
129.07004	3.7
135.08086	3.3
137.05975	100.0
143.04909	2.2
145.06456	1.5
149.05974	2.1
149.09573	2.0
151.03882	2.6
151.07536	77.5
157.06551	5.9
161.05943	18.4
161.09598	7.2
163.07501	3.6
165.09126	3.1
174.64471	1.7
175.07593	3.7
177.09093	10.9
189.09065	14.0
195.10170	29.3
205.06433	2.7
207.10161	6.3
214.86906	1.7
219.08006	2.1
233.05978	1.9
237.09062	9.1
242.52066	1.5
249.09091	3.0
251.10686	2.1
253.08556	6.6
255.10120	1.7
265.08514	17.3
267.10196	2.3
269.08130	3.7
277.08536	2.8
279.09946	3.0
283.09686	6.9
284.10538	1.9
285.11273	14.3
297.11163	25.9
299.12930	2.0
311.12689	14.9
317.13754	6.7
320.09076	3.2
321.09644	2.6
336.12143	2.7
337.14282	2.3
341.13922	1.8
396.16660	1.9
401.17776	2.1
435.18155	1.9
461.19571	3.3
479.20853	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2622
Annotation	Striatin C
Peak:m/z	Relative Intensity
56.87123	1.6
59.66805	1.8
67.05512	2.4
70.28404	2.0
81.07063	2.4
95.08614	2.1
107.08611	3.8
112.76085	1.8
117.47582	2.3
156.05464	33.8
157.06284	7.8
157.12552	2.3
158.94875	1.7
162.65639	2.4
168.40344	2.4
184.08972	2.8
189.05280	2.1
244.70091	2.4
328.67279	2.0
352.08115	13.9
353.08279	26.5
368.10965	8.5
479.26419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
53.16254	5.5
55.01871	7.8
55.05505	10.3
57.07080	13.7
65.41972	6.9
67.05506	19.6
67.57593	7.1
68.82208	6.8
69.03416	8.7
69.07073	30.9
70.54952	8.4
72.17051	8.3
73.22898	6.7
74.13283	7.3
79.05487	15.5
81.03426	36.0
81.07065	68.8
82.15275	8.6
83.08609	14.0
83.73335	7.8
83.73863	6.9
93.07056	36.0
93.87292	7.1
95.04962	7.8
95.08612	49.3
97.02924	8.4
97.06493	7.5
97.10172	13.7
99.04440	100.0
105.07014	15.3
107.08585	39.2
109.10190	35.7
111.04417	8.2
111.11676	8.8
119.08593	29.2
121.10131	16.7
123.11690	8.2
127.03881	8.4
131.08549	15.1
133.10051	18.5
135.11736	10.6
141.05420	16.6
147.11618	9.5
149.13158	8.0
159.11681	10.1
255.71204	7.7
291.23160	14.6
317.24683	11.4
340.77988	7.5
345.20560	10.3
345.24182	36.5
363.25296	34.6
387.36478	13.0
443.28113	17.1
461.28876	29.7
479.29874	38.7
479.41217	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
50.74916	2.6
51.74106	2.5
53.03963	3.4
54.31525	2.4
55.01877	4.9
55.05518	5.6
57.03438	4.1
57.07066	2.9
67.05495	17.7
69.03416	3.5
69.07060	14.5
79.05040	3.0
79.05486	19.2
81.03427	23.6
81.07053	31.4
83.04974	6.5
83.08640	6.8
91.05485	16.4
93.07041	20.2
95.04961	7.4
95.08605	20.0
97.10189	3.4
98.69020	2.7
105.07034	17.4
107.04940	4.2
107.08616	21.9
109.06497	3.8
109.10138	7.4
117.07019	16.0
119.08579	14.7
121.06508	3.3
121.10134	7.4
123.11707	2.9
129.07005	17.8
130.39305	2.7
131.08559	28.0
133.06520	5.9
133.09172	2.9
133.10114	7.3
135.08026	3.9
135.11665	5.3
141.06984	5.0
143.08565	20.7
145.06514	11.7
145.10077	21.5
147.08018	6.3
147.11699	14.3
149.09659	3.2
155.08504	6.2
157.06447	4.2
157.10065	11.9
159.08038	14.4
159.11696	12.8
161.13303	5.5
163.11168	4.3
169.10158	12.4
171.08046	4.2
171.11702	12.1
172.08731	3.3
173.09639	6.5
173.13242	14.3
183.08060	4.2
183.11684	12.3
185.09529	3.4
185.13298	12.9
187.14853	5.4
189.12679	3.7
197.13184	6.4
199.14706	4.0
201.12811	4.0
203.17940	3.2
211.14735	4.3
223.14868	4.7
264.92361	3.5
291.08926	26.0
306.07831	23.4
312.76257	3.1
315.23282	6.7
320.09039	4.2
321.10007	5.3
327.23129	16.7
336.12213	13.9
339.23422	3.5
351.23160	13.7
369.24307	23.0
375.77560	3.5
389.26807	4.7
419.27881	24.4
423.31128	3.7
425.26636	6.1
431.27991	12.0
443.27954	63.7
449.11200	7.1
461.28854	64.6
479.15991	63.8
479.22943	7.9
479.30045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.45024	0.9
61.02922	2.0
67.05515	2.1
69.03422	7.3
71.04990	2.4
73.02938	1.4
75.59316	1.0
79.05489	2.2
81.03430	2.2
81.07066	5.3
85.02428	2.1
85.02911	37.6
85.06551	8.6
91.05470	2.1
93.07047	11.8
95.05007	1.2
95.08636	7.6
97.02887	10.9
97.06510	1.2
99.04444	1.1
105.07021	10.6
107.08597	12.3
109.02875	5.2
109.10143	9.4
117.06973	1.3
119.08605	7.5
121.06512	1.8
121.10130	6.6
127.03922	8.3
131.08580	5.6
133.10146	6.9
135.11711	7.8
145.04990	5.0
145.10138	9.7
147.11671	18.1
149.13222	1.8
157.10138	2.0
159.11711	9.7
161.13245	10.5
163.14839	2.2
165.12776	1.7
170.00307	1.1
171.11641	2.6
173.13304	8.9
175.14839	5.7
177.12730	1.2
185.13257	5.9
187.14806	5.5
187.71184	1.1
191.14326	4.5
197.13307	2.1
199.14861	6.2
203.14346	8.7
205.15813	4.5
211.14755	2.1
213.16338	1.9
215.17749	3.8
217.15778	1.9
225.16335	5.3
229.19644	1.4
241.19475	7.1
255.21129	7.2
281.22641	25.2
299.23679	100.0
317.24625	12.7
320.09039	1.3
321.09637	5.5
322.10284	1.7
334.10748	1.2
336.12219	7.1
337.12695	8.0
354.83264	1.2
473.35278	1.1
479.11966	2.0
479.17880	3.3
479.23734	1.6
479.30014	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
55.05514	7.2
57.07084	1.7
59.13152	1.4
67.05512	12.7
69.03406	2.1
69.07072	13.9
71.05013	1.7
71.08626	6.6
71.28239	1.7
79.05482	8.1
81.07063	22.3
82.91476	1.7
83.04968	3.5
83.08614	7.2
91.05473	3.0
93.07056	14.9
95.08599	16.9
96.83217	1.7
97.06541	4.0
97.10175	2.5
99.08099	3.8
100.68291	1.6
105.07031	11.0
107.08613	15.3
109.06525	3.0
109.10161	9.6
111.08086	3.4
115.03937	18.0
119.08550	10.7
121.06528	1.9
121.10143	12.6
123.08058	10.8
123.11732	1.7
125.09635	2.6
133.10115	10.9
133.83926	1.6
135.08043	16.0
135.11661	3.5
137.05940	2.4
137.13257	3.4
143.08540	2.8
145.10121	11.2
147.11714	17.5
147.96761	1.5
148.10957	1.7
149.09595	13.5
149.13228	4.3
151.11139	1.9
153.12788	11.9
157.10095	2.9
159.11687	2.3
161.13301	2.3
163.11147	7.8
163.14745	3.3
165.12753	2.2
171.11589	2.0
173.09814	1.9
173.13222	1.8
175.11095	3.5
177.12706	22.0
179.14349	29.3
184.13210	2.0
185.13406	2.1
191.14301	27.8
193.15833	3.2
203.14297	2.6
203.18086	1.9
204.81993	1.8
205.15933	35.7
206.10249	2.3
213.16339	2.3
219.10899	2.1
219.13812	1.8
219.17493	2.5
233.15288	3.3
249.18608	2.4
259.20627	6.0
291.16190	2.3
291.19458	8.0
291.26810	4.2
301.25259	6.4
305.21063	12.2
319.22711	2.5
319.26306	9.1
329.24762	12.2
347.25821	72.3
365.26620	3.8
403.28259	3.7
405.22906	2.3
433.29572	2.7
443.27621	4.0
461.28790	60.8
461.34433	3.2
479.29883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32788	4.3
54.93232	5.2
55.05522	11.7
56.23694	5.3
57.07079	86.1
57.68177	6.3
63.73999	5.2
67.05499	7.3
67.28475	6.0
69.07061	44.4
70.83893	5.0
71.08636	90.2
78.29893	4.8
79.05471	7.1
81.07040	44.1
83.04960	7.0
83.08635	37.9
85.10190	48.9
86.45472	5.2
93.07025	10.3
95.08601	32.9
97.06480	6.5
97.10168	23.5
101.06024	44.9
107.08600	32.4
109.06548	6.9
109.10171	26.5
109.68018	5.3
111.08107	6.6
111.11687	9.9
115.07598	7.7
121.10131	24.4
125.09645	6.4
127.07553	100.0
129.05476	88.4
134.29211	6.0
135.11722	14.1
139.07524	9.4
143.07024	9.9
146.39926	5.7
149.13269	27.8
163.14822	23.1
173.82486	5.2
191.18059	6.5
248.40569	6.4
262.23328	5.5
265.21579	6.4
307.29929	10.6
479.37189	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
55.05523	10.3
57.07081	99.9
67.05524	14.8
69.07066	44.7
71.08633	83.8
81.07059	63.5
83.04984	12.0
83.08627	36.2
85.10186	52.9
87.32342	8.2
93.07079	35.7
95.08583	59.2
97.10149	19.5
97.87708	8.6
101.06014	22.7
107.08620	15.5
109.10163	38.8
111.11755	16.9
119.08541	10.6
121.10145	21.6
123.11711	13.6
125.05994	21.0
127.07551	100.0
129.05464	82.7
133.10146	19.1
135.11647	15.2
142.36996	9.4
149.13295	18.7
163.14778	19.9
163.28377	11.6
184.15244	10.0
247.74158	10.5
479.37735	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40303	0.5
55.09876	0.6
61.64664	0.6
84.69704	0.6
87.58211	0.6
99.04461	1.1
101.73911	0.6
152.20935	0.6
285.78308	0.6
308.05511	1.2
318.07394	1.0
319.08313	2.6
320.05450	2.7
320.09039	2.8
322.10645	1.5
329.06750	2.7
334.10660	3.5
335.11127	4.1
336.05017	100.0
336.12201	9.4
337.13129	1.5
342.07651	2.8
352.15247	6.8
356.09094	3.5
372.08670	13.6
382.12784	1.0
400.08206	1.3
416.07669	12.0
418.09097	9.2
462.08206	24.4
480.09189	27.8
480.16251	1.2
480.23779	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18358	0.5
56.06370	0.6
56.20361	0.6
64.14572	0.5
69.19884	0.5
92.58124	0.6
98.25643	0.7
99.04432	0.9
118.15322	0.7
137.23866	0.6
165.05556	0.9
172.03862	1.1
190.04991	17.5
218.04391	1.1
263.05823	2.4
264.06537	1.3
265.07303	1.4
277.07370	0.8
290.08044	2.7
292.06021	7.1
292.09415	1.1
293.06747	3.3
303.05164	4.9
305.06763	1.1
308.05423	0.7
318.07660	6.3
320.05521	12.2
320.08948	1.7
321.06171	3.1
322.10217	1.2
331.04749	3.6
335.07840	1.0
336.12201	1.2
337.12555	2.9
338.12845	4.3
346.07028	7.1
348.05103	4.8
349.05682	10.6
355.73871	0.7
364.08124	100.0
462.15216	1.2
480.12531	20.0
480.22720	5.1
509.00168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20881	0.4
57.43217	0.3
59.42857	0.4
64.06644	0.6
65.92071	0.4
66.95251	0.5
68.98857	0.4
69.07096	1.1
70.05396	0.4
76.09087	0.4
79.29330	0.4
96.08192	3.1
110.09391	0.4
114.09139	4.6
136.83730	0.5
181.08702	0.6
182.03958	0.6
245.13103	0.7
290.08063	11.8
299.10617	0.7
302.08185	2.5
304.06036	9.8
310.18774	0.5
318.07596	13.5
319.08389	51.7
334.10721	100.0
335.07913	1.1
336.12204	0.7
350.10199	2.6
376.16830	0.7
401.80249	0.5
480.12735	29.8
480.30331	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94589	0.5
62.62534	0.6
72.23313	0.5
74.49821	0.5
107.83331	0.5
210.29564	0.5
228.32001	0.6
262.08978	0.7
278.08096	0.9
279.08896	1.0
281.69818	0.5
306.07611	10.9
318.07526	2.5
320.05478	7.6
320.09155	1.9
334.07111	8.0
334.10657	1.4
335.07870	40.8
336.12323	2.0
350.10220	100.0
354.97034	0.6
480.12778	30.3
497.08066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59190	0.8
52.83897	0.7
61.02951	1.3
69.03434	1.4
85.02901	9.6
86.06064	1.0
87.04472	2.4
97.02887	1.8
100.02219	1.0
104.07109	4.5
105.06986	1.0
107.04953	4.3
119.04935	12.3
121.06483	11.0
127.03879	1.3
133.06474	6.1
135.04411	26.6
137.05978	47.7
138.09143	2.0
144.50371	1.1
145.04944	1.0
146.02724	4.1
147.04399	34.3
149.06035	1.3
151.07574	4.1
152.04640	1.1
153.05464	76.2
164.19930	0.9
165.09036	1.0
167.07030	99.8
175.42331	0.9
179.07018	38.0
181.08681	1.6
197.08086	100.0
248.05945	2.1
266.06921	4.3
269.22473	1.0
278.47064	0.9
284.07965	1.4
359.13370	12.0
480.15427	5.4
487.83871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59190	0.8
52.83897	0.7
61.02951	1.3
69.03434	1.4
85.02901	9.6
86.06064	1.0
87.04472	2.4
97.02887	1.8
100.02219	1.0
104.07109	4.5
105.06986	1.0
107.04953	4.3
119.04935	12.3
121.06483	11.0
127.03879	1.3
133.06474	6.1
135.04411	26.6
137.05978	47.7
138.09143	2.0
144.50371	1.1
145.04944	1.0
146.02724	4.1
147.04399	34.3
149.06035	1.3
151.07574	4.1
152.04640	1.1
153.05464	76.2
164.19930	0.9
165.09036	1.0
167.07030	99.8
175.42331	0.9
179.07018	38.0
181.08681	1.6
197.08086	100.0
248.05945	2.1
266.06921	4.3
269.22473	1.0
278.47064	0.9
284.07965	1.4
359.13370	12.0
480.15427	5.4
487.83871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58598	0.6
50.84718	0.6
62.35277	0.6
66.13550	0.7
76.35662	0.6
99.04437	1.4
102.68147	0.7
131.04929	1.1
149.05989	3.3
161.05890	0.9
174.05469	1.6
176.07063	26.1
178.08609	1.7
240.22849	0.8
245.11662	7.2
287.16541	0.9
292.09720	0.7
298.35590	0.7
306.07648	1.1
320.09238	3.2
321.09988	8.7
322.10632	1.6
323.11603	0.9
324.12170	1.3
334.07077	1.1
336.08575	1.3
336.12180	8.8
338.10184	9.2
338.13855	2.8
349.09592	1.2
350.10178	20.5
351.10965	0.9
352.08109	13.9
362.13702	0.8
364.11734	12.2
367.10489	21.8
382.12814	100.0
452.17010	1.2
480.16394	69.4
480.23599	30.9
494.03448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98051	1.5
86.31819	1.6
92.21514	1.8
98.04602	1.7
107.26309	1.5
148.15863	1.5
216.53658	2.2
278.54492	1.7
294.11050	1.5
310.60172	1.7
311.09244	3.2
315.10083	2.1
320.09119	7.6
324.08807	2.6
330.11124	6.9
332.08960	2.2
336.12152	3.1
338.10178	3.3
338.13770	2.1
339.11057	6.3
344.09109	2.8
347.11572	2.4
348.08755	7.2
349.09335	2.1
352.15417	2.2
358.10583	15.4
360.08502	3.0
373.13330	1.9
374.09991	11.7
376.08145	9.9
376.15427	3.7
377.08978	2.5
388.11426	5.6
388.15695	3.5
389.12640	6.9
391.10498	100.0
392.11273	10.9
402.13364	3.3
404.11227	27.1
434.16086	23.8
451.03464	1.7
462.15457	95.1
480.16467	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40237	1.4
59.99881	1.3
62.84596	1.5
78.97464	1.2
80.63705	1.2
85.02861	3.5
85.06522	1.5
102.21049	1.5
139.28407	1.4
216.07500	2.0
292.09515	6.2
300.23996	11.1
305.07925	2.2
320.09085	17.0
321.09857	16.5
330.10892	9.0
334.10565	4.5
336.12259	47.9
338.13385	3.5
339.10730	7.2
344.08987	2.0
346.10529	2.1
347.11426	2.9
348.08209	6.8
348.12149	2.1
357.13086	2.6
358.10727	17.9
360.08197	2.5
360.12158	5.3
360.16068	3.1
362.10193	1.8
374.09879	5.6
376.08136	12.6
388.15222	5.8
389.12256	6.5
391.10483	100.0
392.10870	8.2
401.12186	1.7
402.12906	6.9
404.11121	26.9
418.16425	1.8
419.26273	1.6
434.16058	30.4
462.15427	87.7
480.15961	75.4
480.30038	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19607	0.5
84.12697	0.7
102.51044	0.6
103.38208	0.6
107.27890	0.7
118.38650	0.7
121.06445	0.8
123.08049	1.2
138.06776	4.5
151.07536	15.0
153.09099	15.5
153.60857	0.7
165.03706	0.9
166.06248	23.0
181.08591	100.0
182.03955	95.2
191.07005	1.5
194.05807	1.4
195.04819	0.8
209.08127	5.4
241.05298	14.9
242.28667	0.7
272.09500	4.0
319.08505	1.4
334.10660	3.2
336.12488	4.6
350.10080	2.1
480.16888	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85275	1.8
62.51649	1.7
71.03598	1.9
149.05984	3.5
176.07031	3.1
203.10597	4.2
216.06599	2.2
216.30681	1.9
218.08122	30.6
225.83473	2.1
231.13731	3.1
292.09592	9.2
294.11337	2.9
308.09085	2.6
308.12778	3.4
319.12000	9.9
320.09167	11.6
321.09924	26.8
322.10736	16.5
323.11453	10.1
336.12305	100.0
337.12970	19.3
338.13824	33.4
350.13763	10.5
352.15445	16.1
434.19525	4.8
450.19028	11.2
480.19864	57.0
480.24207	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59595	0.7
69.03438	1.2
71.04952	0.9
72.50411	0.8
73.03326	0.9
73.22353	0.9
81.07019	1.1
85.02892	9.3
85.06535	1.3
86.03215	1.2
97.02901	1.6
105.07016	1.5
107.08573	1.9
109.10114	1.4
112.54066	1.3
113.59698	0.8
121.10110	1.1
127.01851	1.0
127.03909	1.5
147.11690	2.1
148.12042	1.1
149.06024	1.8
152.39806	0.9
164.11299	0.9
173.13286	1.2
175.14767	1.0
176.81796	1.2
188.08339	1.3
203.10628	3.8
207.51059	1.0
208.10162	1.1
218.08095	18.0
229.12210	1.8
231.13863	7.3
241.47469	1.0
242.20007	1.1
269.11511	1.7
281.22614	1.7
282.22955	5.2
292.09674	6.6
294.11163	1.2
299.23669	3.6
300.24008	20.5
306.07852	3.5
318.25024	1.2
320.09247	11.9
321.09961	26.7
323.11359	5.1
330.11047	1.2
336.12274	100.0
338.13821	10.2
344.08990	1.0
358.10513	2.3
362.09967	1.4
374.09842	1.2
376.07990	2.1
377.96237	0.9
388.15775	1.2
391.10471	23.8
404.11154	6.7
434.15683	6.9
462.15344	18.4
480.20618	86.9
480.29541	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67706	1.9
136.05190	2.5
148.05183	4.4
149.05983	21.6
162.05464	5.1
165.09044	16.0
171.08031	3.5
174.05428	2.5
175.06302	2.8
176.07042	51.7
177.07773	10.1
177.60405	2.3
183.11618	2.7
192.06555	51.9
192.10175	53.8
194.08124	9.9
194.11768	3.2
199.07510	10.2
211.11142	29.1
213.12683	4.5
215.06921	3.5
224.60707	2.3
228.11446	4.5
229.08571	100.0
241.12236	18.2
253.12173	2.3
271.13229	16.2
277.21606	2.9
292.09747	8.2
299.12854	4.2
307.08255	4.3
319.08353	4.2
320.09039	23.4
321.09903	16.9
322.10684	48.9
334.10645	13.1
336.12302	88.9
337.12772	2.6
462.38281	2.4
480.19479	71.6
480.23972	85.6
480.38950	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35860	0.5
81.07063	1.2
105.36401	0.5
107.04977	0.6
113.54684	0.8
121.06490	0.9
129.55278	0.6
133.10068	0.6
175.92859	0.6
222.76393	0.6
292.09686	9.1
292.19357	0.7
296.76947	0.6
304.09698	1.2
306.07639	4.3
320.05817	1.2
320.09204	14.4
321.09958	33.8
336.12302	100.0
352.15637	0.9
480.20206	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58549	0.4
54.42088	0.4
69.07008	0.3
71.04954	2.4
74.80147	0.3
81.07059	9.2
85.02898	3.7
95.08559	1.5
107.82790	0.3
109.83518	0.3
112.93575	0.4
118.90759	0.4
121.06454	2.1
129.05437	0.8
137.13188	2.2
178.12274	0.6
232.02859	0.4
241.23727	0.4
278.08093	0.5
292.09650	10.3
304.09647	1.8
306.07587	3.3
320.09174	13.4
321.09937	32.5
334.10745	0.4
335.11047	1.4
336.12268	100.0
364.15533	0.4
480.20145	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67706	1.9
136.05190	2.5
148.05183	4.4
149.05983	21.6
162.05464	5.1
165.09044	16.0
171.08031	3.5
174.05428	2.5
175.06302	2.8
176.07042	51.7
177.07773	10.1
177.60405	2.3
183.11618	2.7
192.06555	51.9
192.10175	53.8
194.08124	9.9
194.11768	3.2
199.07510	10.2
211.11142	29.1
213.12683	4.5
215.06921	3.5
224.60707	2.3
228.11446	4.5
229.08571	100.0
241.12236	18.2
253.12173	2.3
271.13229	16.2
277.21606	2.9
292.09747	8.2
299.12854	4.2
307.08255	4.3
319.08353	4.2
320.09039	23.4
321.09903	16.9
322.10684	48.9
334.10645	13.1
336.12302	88.9
337.12772	2.6
462.38281	2.4
480.19479	71.6
480.23972	85.6
480.38950	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24696	0.6
53.03950	1.6
59.52510	0.5
60.44945	0.6
62.30006	0.5
67.05490	0.8
69.03420	0.9
69.07059	1.3
69.90021	0.6
70.02949	1.2
70.06604	0.7
72.04513	5.4
73.02898	1.4
79.56176	0.6
81.03437	2.9
83.04951	0.8
85.02914	0.9
85.06541	1.4
86.09682	1.1
87.08102	1.0
90.05550	62.3
95.04954	2.7
98.02409	3.4
98.17359	0.7
99.04451	17.2
100.03982	0.7
103.07578	3.5
109.02899	0.9
113.06000	0.8
116.03441	7.8
121.06469	7.5
124.07587	7.5
142.08620	4.6
147.77141	0.7
156.10269	1.1
160.09628	1.2
166.08594	1.3
174.11314	1.6
184.09686	17.1
201.07762	0.8
202.10719	28.6
202.12520	1.4
220.11783	100.0
262.10782	0.9
263.84326	0.7
480.20264	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43578	1.1
71.04990	2.3
72.84565	1.3
86.09754	1.8
91.05489	2.8
101.06031	5.5
103.50495	1.5
119.04948	17.4
123.04435	32.5
136.07588	100.0
137.08064	2.1
147.04401	12.7
165.05479	81.7
178.04965	2.1
182.08130	91.6
229.06718	1.4
269.89655	1.6
354.58499	1.6
480.11316	1.8
480.21045	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40504	1.5
57.03430	7.8
58.06596	10.4
58.58049	1.5
59.05008	3.3
60.04513	2.1
64.32844	1.6
64.96473	1.6
69.03429	40.8
72.01086	1.8
73.02917	1.7
80.63715	1.7
81.03416	2.6
85.02904	36.2
87.04466	45.9
90.36549	1.9
93.84931	1.7
97.02900	49.9
98.10564	2.3
99.04431	3.2
112.25961	1.9
115.03934	54.2
119.04925	2.7
123.04410	2.7
123.60563	1.9
127.03873	4.2
133.04958	42.1
137.05972	2.6
143.04887	2.2
145.04961	3.0
150.07616	12.9
151.07539	100.0
157.06458	2.0
161.05910	3.3
163.07466	2.6
165.09076	20.6
169.08583	18.0
175.07549	3.8
179.07036	17.7
189.09117	2.4
193.08568	27.8
235.09621	3.9
247.09599	11.6
259.07938	3.3
265.10730	23.1
277.10852	2.2
295.11890	2.4
314.13785	4.0
334.10571	2.4
480.15320	7.9
480.20129	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99629	0.3
57.35638	0.4
71.49998	0.4
74.83851	0.5
85.02919	0.6
85.70867	0.4
87.04476	1.1
91.05493	0.9
93.07045	2.3
95.04958	0.7
100.14719	0.4
103.05457	1.2
104.07130	2.7
119.04948	2.8
121.06508	100.0
137.05986	17.0
138.05489	0.6
138.09142	27.9
146.02689	2.6
147.04414	12.1
153.05513	0.8
171.21080	0.5
179.07033	8.1
188.03754	0.6
193.03171	2.0
197.08087	2.6
200.05324	0.5
214.96356	2.1
248.05988	0.6
266.06815	4.0
438.52924	0.5
480.05151	2.4
480.15152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60943	0.3
60.62761	0.4
69.57812	0.3
70.25105	0.3
85.74805	0.4
91.05475	0.8
92.21555	0.3
93.07040	2.4
103.05502	0.4
104.07139	0.4
112.22910	0.3
119.04935	1.5
121.06501	100.0
131.14192	0.3
137.05977	6.0
138.09135	27.2
142.08598	0.6
146.02725	1.4
146.88899	0.3
147.04413	4.7
179.07027	2.3
188.03864	0.3
197.08124	1.2
248.05914	0.7
266.07095	1.5
303.00992	0.4
362.62704	0.3
372.21744	0.3
480.12411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17493	0.6
63.02977	0.6
66.39017	0.6
108.84190	0.6
121.06504	1.3
149.05992	7.1
161.05984	3.2
176.07053	53.4
178.08641	6.1
183.41866	0.8
215.10757	3.0
233.66975	0.7
245.11705	14.8
257.15402	3.1
287.16470	2.8
292.09781	1.3
294.11215	8.8
306.11438	1.1
307.08392	6.4
308.09213	4.2
315.15991	1.6
319.08072	1.6
320.05685	0.8
320.09302	2.7
321.09790	3.9
322.10718	21.3
323.11526	34.2
324.12268	3.3
334.10767	3.6
336.12326	12.3
338.13849	93.9
462.22525	1.1
464.19986	1.3
480.23819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41712	0.6
68.28930	0.7
76.35619	0.9
77.40556	0.7
79.57252	0.7
83.04953	0.8
100.92874	0.8
103.12183	0.7
134.03600	0.7
190.05214	0.7
243.19614	0.7
294.11435	5.1
304.09637	0.9
306.11090	1.1
307.08374	0.9
308.09256	2.9
308.12784	3.4
318.11313	0.9
319.12021	7.1
320.09225	3.9
321.09988	4.0
322.10727	19.4
323.11539	22.6
324.12250	0.9
332.12906	5.1
333.13779	1.0
334.10760	3.6
336.12314	27.4
337.06104	1.0
337.12970	12.0
338.13876	48.5
350.13910	13.6
352.08014	1.4
352.15668	1.6
364.15601	4.9
382.12921	3.7
406.20334	4.6
432.28931	2.8
448.21310	6.0
450.18872	6.8
462.30319	1.7
465.21710	1.4
480.17169	5.9
480.23892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37246	0.8
58.13367	0.7
72.49366	0.8
81.05328	1.0
86.96406	0.9
87.99895	0.8
89.42793	1.1
101.65533	0.8
105.06997	1.1
136.06181	4.6
149.06000	4.8
165.09099	1.4
172.37411	0.8
175.06230	0.9
176.07014	8.0
177.07838	3.1
192.06541	9.5
192.10170	8.6
194.08238	1.4
211.11150	3.8
213.12724	1.3
220.26105	0.9
222.11520	0.9
228.11363	1.0
229.08606	14.4
241.12216	4.5
271.13327	3.5
292.09616	11.0
306.07471	3.4
320.09085	15.9
321.09979	28.5
322.10825	4.1
334.10669	1.6
335.11206	1.0
336.12286	100.0
337.13083	1.4
338.13202	0.9
436.20911	1.3
450.19104	3.3
464.20358	3.7
465.21408	2.0
480.24545	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16391	0.7
61.35163	0.7
86.87684	0.8
89.77018	0.8
99.04518	1.2
149.05965	4.1
151.11288	0.9
161.05972	1.0
170.11664	1.7
176.07066	21.9
178.08633	1.5
179.14281	5.8
187.14371	1.2
245.11696	6.7
257.15543	1.2
280.97125	1.0
287.16541	0.9
294.11261	8.0
294.24237	1.9
306.11099	1.6
307.08478	4.2
308.09155	3.7
308.12753	3.3
320.09479	2.7
321.09863	8.3
322.10681	34.8
323.11517	38.8
323.15295	2.0
324.12094	1.7
334.10715	1.5
335.10788	1.1
336.08658	1.9
336.12274	16.1
337.13022	5.9
338.10342	5.4
338.13828	95.8
349.09259	1.9
350.10193	13.1
352.08243	9.1
352.15308	9.9
364.11697	6.8
367.10468	8.8
382.12805	61.2
403.75684	0.9
443.65143	1.0
480.16440	40.1
480.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28520	1.1
71.47567	1.1
81.07050	1.5
86.95641	1.0
103.05484	1.2
109.10194	1.1
111.97343	1.1
131.04964	2.1
133.16820	1.2
138.82413	0.9
138.92815	1.1
148.07597	1.2
149.05968	15.1
153.16113	1.1
161.05957	5.2
176.07059	100.0
178.08591	12.5
188.44730	1.1
203.10625	1.7
215.10629	3.3
242.12901	1.4
245.11679	29.4
257.15323	5.9
287.16324	6.3
315.15796	4.7
320.09155	2.3
321.09863	2.5
322.10452	6.4
323.10471	1.1
334.10675	4.3
336.08649	2.2
336.12241	17.8
337.12903	1.5
338.13480	1.4
339.10822	1.3
352.08176	1.8
367.10574	7.7
382.12781	19.0
424.17645	2.3
452.17023	4.3
480.16653	14.8
480.23694	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54295	0.4
56.97509	0.4
59.46927	0.5
90.36382	0.5
124.74021	0.5
136.06042	3.1
137.05827	2.5
138.06229	0.7
148.90509	0.5
149.05907	0.6
174.05484	0.6
176.06973	0.8
192.10030	0.7
204.06586	10.7
229.08504	1.2
292.09671	8.1
304.09561	0.9
306.07565	1.0
307.08630	0.9
320.09113	11.6
321.09952	25.9
322.10513	1.1
323.65701	0.6
334.10806	6.9
336.12299	100.0
337.13303	0.6
338.13226	0.7
450.17487	0.6
480.14120	1.6
480.16425	2.0
480.24023	52.2
480.29828	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08145	52.0
101.10808	1.5
115.08683	3.7
120.08099	100.0
129.10237	38.5
130.08640	44.2
132.52829	1.1
141.06601	14.6
147.11284	39.0
153.05573	1.3
159.07674	8.6
166.08714	4.0
173.85623	0.9
187.07103	4.1
235.10719	7.8
276.17188	2.3
294.18103	25.4
480.24564	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2744
Annotation	Cytochalasin Z2
Peak:m/z	Relative Intensity
53.81194	2.2
53.87194	2.2
54.03923	2.0
54.16944	2.4
55.01873	3.8
55.22628	2.0
58.06606	2.6
67.05508	13.2
69.07076	4.7
69.42932	2.2
79.05496	12.6
81.07063	14.6
83.04975	3.9
91.05480	100.0
93.07044	18.9
95.04987	5.2
95.08601	16.8
103.05432	3.2
105.07027	29.5
107.04919	5.1
107.08598	21.7
109.06548	3.3
109.10149	11.2
110.91003	2.5
111.04434	14.4
117.07013	18.4
119.08576	27.8
119.52765	3.0
120.08110	50.7
121.06495	10.9
121.10130	5.4
126.90686	2.8
127.17649	2.4
127.98153	2.7
129.07001	3.5
131.08588	16.6
133.10152	19.4
135.08060	12.3
137.09607	3.2
141.07016	3.9
143.08560	12.9
145.10138	26.5
146.06001	3.6
147.08047	4.1
147.11700	10.6
149.09616	3.6
149.13364	2.7
155.07010	2.8
155.08527	9.9
157.10121	12.7
159.11682	15.4
161.09634	6.4
161.13304	4.4
167.08559	3.9
169.10069	4.3
171.11703	3.6
172.07538	14.0
173.13303	3.3
174.09131	4.7
175.11226	4.6
181.10156	3.2
183.11804	5.9
186.09087	4.9
186.12695	20.6
187.09795	4.0
187.11252	5.2
195.11732	17.3
197.13307	4.6
198.09117	3.4
200.10719	12.4
201.11513	3.9
206.11148	2.9
209.13243	3.2
212.10745	3.9
212.14391	10.6
221.13242	5.7
225.12718	2.8
226.12274	11.4
238.12332	5.0
240.13837	47.7
247.14664	3.2
252.13739	3.4
258.14941	10.9
264.13831	44.8
278.15381	12.3
296.16473	5.2
310.14563	2.6
312.31607	3.0
323.11060	3.2
336.12274	6.2
398.24936	26.9
408.23157	5.5
408.99243	2.6
416.25977	21.2
426.24084	34.1
434.26801	2.9
444.25375	61.8
462.26318	45.0
480.27414	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2744
Annotation	Cytochalasin Z2
Peak:m/z	Relative Intensity
55.05517	2.6
55.53496	2.3
59.42514	2.2
62.28573	2.1
67.05512	4.0
69.07095	3.4
79.05490	12.4
80.39742	2.2
81.07059	5.6
82.05282	2.5
83.04980	11.1
91.05483	93.1
93.07042	16.1
94.06563	11.2
95.08609	12.1
105.07034	22.6
105.96413	2.8
107.08584	21.6
108.08189	4.5
109.10167	3.9
111.04444	29.3
117.07024	11.2
119.08561	19.7
119.24045	2.5
120.08109	49.9
121.10158	5.8
129.06996	5.1
131.08585	15.8
133.10112	10.4
135.08054	3.8
135.11633	2.9
141.06985	3.2
143.08571	10.3
145.10101	21.7
147.11752	3.1
155.07086	3.4
155.08527	5.6
157.10123	4.7
159.08009	3.3
159.11743	18.0
169.10138	5.5
172.07634	14.5
173.08307	3.2
173.09686	3.5
174.09065	2.9
177.09143	3.1
186.09152	4.5
186.12788	59.3
187.11186	6.1
195.11697	5.8
198.09038	3.5
200.10773	9.2
209.13310	4.6
212.10699	2.9
219.11751	3.8
221.13324	3.9
226.12239	6.0
238.12221	3.5
240.13783	6.3
252.13861	4.0
254.15442	3.7
258.14880	4.8
264.13882	34.5
268.16855	3.2
270.14792	3.2
278.15421	13.4
280.16928	3.0
292.16928	8.8
296.16461	5.0
319.03552	3.1
336.12299	4.7
337.12308	2.8
385.13828	3.0
398.24771	5.5
408.22888	4.2
416.25668	6.0
426.24347	29.4
444.25363	100.0
462.26401	68.7
480.27597	70.0
480.34357	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2969
Annotation	Talitine B
Peak:m/z	Relative Intensity
50.65869	0.2
50.91275	0.2
51.96770	0.2
61.14988	0.2
62.63337	0.2
67.05507	0.3
69.04897	0.2
81.07050	0.3
93.07029	0.7
107.08577	0.5
119.08562	0.4
121.06508	0.4
121.10138	0.3
131.08562	0.3
136.06187	100.0
145.10092	0.6
157.10205	0.4
159.11656	0.5
175.11221	0.3
204.06641	0.4
224.58403	0.3
232.61644	0.3
251.17955	0.4
295.20551	0.3
320.09155	0.4
321.09897	1.3
334.10950	0.5
336.08606	0.5
336.12289	4.6
337.12732	0.3
450.19229	0.3
480.24295	4.2
480.29703	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.0
57.03437	12.6
57.07071	8.6
67.05508	17.3
69.07065	29.2
71.08633	3.3
72.08160	65.9
79.05483	7.2
81.07058	21.8
81.94753	1.8
83.08624	25.1
86.09708	7.7
93.07042	11.2
95.08622	18.7
97.06519	3.4
97.10186	16.1
103.97182	1.9
104.10719	3.5
107.08581	8.1
109.10162	9.4
111.08083	2.1
111.11724	2.7
121.10150	17.0
123.11732	2.5
124.99963	1.9
125.46094	2.2
135.11690	12.5
143.99368	2.1
149.13249	3.1
155.01030	2.8
170.05769	68.7
184.07335	7.3
189.79866	1.9
279.01831	1.8
308.29294	3.5
311.25787	100.0
320.09210	2.8
344.64792	1.8
426.99701	2.0
480.21945	3.2
480.34366	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61135	0.3
58.06612	0.4
60.07919	0.3
60.08173	4.6
64.66190	0.4
64.87645	0.4
71.07372	0.8
79.54948	0.4
86.09711	23.2
104.10724	2.7
109.10298	0.4
116.65424	0.4
125.00001	10.8
127.40826	0.5
169.94635	0.4
184.07335	100.0
258.81342	0.6
462.29407	1.0
480.30841	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	17.8
55.70589	1.2
57.03452	14.5
57.07081	12.1
57.40240	1.0
63.58614	1.1
65.24967	1.1
67.05510	20.1
69.07071	31.0
71.08627	5.8
72.08160	67.6
79.05497	6.4
81.07065	27.4
83.08619	28.5
85.10188	1.3
86.06097	1.3
86.09713	5.8
88.03995	7.0
93.07031	11.3
95.04930	1.7
95.08614	26.4
97.06541	2.5
97.10181	19.1
104.10747	5.5
107.08594	10.3
109.10160	9.1
111.08121	4.8
111.11707	2.3
117.01337	1.3
121.10158	14.5
121.10857	1.5
123.11711	2.9
125.00039	2.7
125.09627	2.0
131.14752	1.2
135.11693	13.2
137.13277	2.1
149.13300	4.8
153.12698	1.4
155.01100	1.7
163.14880	2.1
170.05774	71.4
184.07338	10.3
189.05989	1.2
308.29489	7.9
311.25821	100.0
432.97391	1.3
462.34076	2.5
480.23434	1.3
480.35165	11.4
484.28979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.2
57.03449	9.8
57.07072	5.4
58.06617	1.2
59.89895	0.8
67.05513	11.9
69.07072	24.7
71.04948	1.1
71.08631	6.1
75.46229	0.9
79.05485	2.7
81.07068	14.5
83.08628	16.6
85.10193	1.4
92.79886	1.0
93.07044	8.2
95.08598	15.6
97.06546	2.0
97.10193	12.8
107.08585	5.8
109.10167	6.6
111.08070	1.4
111.11726	2.1
121.10133	9.1
135.11690	6.6
135.96188	1.0
136.92358	1.0
149.13229	1.9
191.17876	1.3
251.16370	1.4
265.25049	1.1
308.29333	2.4
339.28940	100.0
480.30460	1.9
480.36902	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.41992	1.3
52.37533	1.6
55.05518	13.3
55.60852	1.5
57.03437	7.6
57.07077	7.5
67.05515	12.8
69.07071	20.7
69.21906	1.8
71.08629	3.6
72.39952	1.7
74.06081	8.2
79.05471	3.1
81.07053	18.4
81.55971	2.0
83.08624	20.1
85.10168	1.6
93.07065	4.2
95.08604	15.3
97.10169	15.7
107.08561	3.9
109.10163	7.9
111.08067	2.1
116.31422	1.7
121.10141	9.9
123.11680	2.3
135.11685	7.3
148.57503	1.6
206.10252	2.6
265.25137	2.1
334.06628	1.8
339.28928	100.0
462.33994	3.8
480.35489	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05521	17.8
55.70589	1.2
57.03452	14.5
57.07081	12.1
57.40240	1.0
63.58614	1.1
65.24967	1.1
67.05510	20.1
69.07071	31.0
71.08627	5.8
72.08160	67.6
79.05497	6.4
81.07065	27.4
83.08619	28.5
85.10188	1.3
86.06097	1.3
86.09713	5.8
88.03995	7.0
93.07031	11.3
95.04930	1.7
95.08614	26.4
97.06541	2.5
97.10181	19.1
104.10747	5.5
107.08594	10.3
109.10160	9.1
111.08121	4.8
111.11707	2.3
117.01337	1.3
121.10158	14.5
121.10857	1.5
123.11711	2.9
125.00039	2.7
125.09627	2.0
131.14752	1.2
135.11693	13.2
137.13277	2.1
149.13300	4.8
153.12698	1.4
155.01100	1.7
163.14880	2.1
170.05774	71.4
184.07338	10.3
189.05989	1.2
308.29489	7.9
311.25821	100.0
432.97391	1.3
462.34076	2.5
480.23434	1.3
480.35165	11.4
484.28979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05512	6.4
57.12646	4.5
62.06098	11.9
67.05507	8.0
69.07073	10.9
72.00793	5.3
81.07059	7.7
83.08604	12.6
95.08615	11.4
97.10156	7.0
120.68197	5.7
121.10130	5.3
139.46643	5.9
156.72214	5.2
308.29599	8.4
339.28937	100.0
462.29688	22.3
480.30893	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19350	0.2
52.06475	0.3
55.05505	0.5
56.23879	0.2
57.68050	0.2
60.08148	0.3
60.30797	0.2
62.06081	0.6
69.07059	1.1
79.85813	0.2
80.76364	0.3
86.09694	0.5
95.08603	0.4
95.65187	0.3
97.10175	0.3
98.06039	2.4
104.10754	2.8
124.99951	0.3
125.88474	0.3
126.09227	0.3
147.03329	0.3
164.07130	0.2
184.07326	2.9
191.14288	0.2
230.41188	0.3
254.26384	0.2
308.29474	100.0
309.92194	0.3
312.44226	0.3
314.19940	0.3
326.30539	0.5
480.30688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23575	2.9
54.48457	3.1
55.05520	7.1
57.07073	7.2
62.06085	20.9
67.05499	14.9
69.07072	24.3
69.55345	3.7
79.05502	3.4
81.07061	18.5
83.08620	23.6
88.01321	3.5
93.07043	13.0
95.08611	23.2
97.10200	12.3
98.06052	4.9
107.08587	4.6
109.10170	7.7
116.07079	12.5
121.10173	5.2
135.11711	3.5
136.06168	3.7
177.51779	3.5
182.08205	3.8
184.09625	5.3
220.11832	4.0
239.87041	4.1
308.29459	25.6
339.28900	100.0
378.67743	4.7
419.25406	5.9
449.52234	4.3
462.29901	28.4
480.31653	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49611	0.2
55.05515	0.4
56.05996	0.2
57.07082	0.3
57.31418	0.3
60.04528	0.5
67.05501	0.3
69.07104	0.8
71.08603	0.3
72.04524	0.4
73.02904	0.3
79.05495	0.3
81.07067	0.4
83.08608	0.5
86.06055	0.3
86.09699	0.6
88.03995	0.3
91.82457	0.3
93.07073	0.4
93.33887	0.3
95.08594	1.1
98.06066	2.5
99.04440	1.4
104.10727	2.2
114.95230	0.3
117.05498	1.7
118.04996	2.4
123.50629	0.3
134.08151	0.3
184.07350	2.8
308.29465	100.0
326.30276	0.6
349.09528	0.3
423.13055	0.3
480.35684	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.0
57.03437	12.6
57.07071	8.6
67.05508	17.3
69.07065	29.2
71.08633	3.3
72.08160	65.9
79.05483	7.2
81.07058	21.8
81.94753	1.8
83.08624	25.1
86.09708	7.7
93.07042	11.2
95.08622	18.7
97.06519	3.4
97.10186	16.1
103.97182	1.9
104.10719	3.5
107.08581	8.1
109.10162	9.4
111.08083	2.1
111.11724	2.7
121.10150	17.0
123.11732	2.5
124.99963	1.9
125.46094	2.2
135.11690	12.5
143.99368	2.1
149.13249	3.1
155.01030	2.8
170.05769	68.7
184.07335	7.3
189.79866	1.9
279.01831	1.8
308.29294	3.5
311.25787	100.0
320.09210	2.8
344.64792	1.8
426.99701	2.0
480.21945	3.2
480.34366	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.19350	0.2
52.06475	0.3
55.05505	0.5
56.23879	0.2
57.68050	0.2
60.08148	0.3
60.30797	0.2
62.06081	0.6
69.07059	1.1
79.85813	0.2
80.76364	0.3
86.09694	0.5
95.08603	0.4
95.65187	0.3
97.10175	0.3
98.06039	2.4
104.10754	2.8
124.99951	0.3
125.88474	0.3
126.09227	0.3
147.03329	0.3
164.07130	0.2
184.07326	2.9
191.14288	0.2
230.41188	0.3
254.26384	0.2
308.29474	100.0
309.92194	0.3
312.44226	0.3
314.19940	0.3
326.30539	0.5
480.30688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3318
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
54.54195	1.0
55.63813	1.1
57.07081	1.4
67.05506	4.6
69.07065	2.7
69.81594	1.2
70.02933	1.9
72.04520	1.6
73.02913	6.1
79.05537	1.7
81.07060	2.0
83.04970	1.3
83.38412	1.1
85.06534	1.6
87.08112	1.4
90.05540	8.4
93.07059	3.1
95.04973	2.9
95.08591	2.1
98.02428	7.1
100.03998	4.8
105.07030	1.9
109.10174	1.7
113.06000	1.7
116.03453	9.9
119.08536	2.1
121.10159	2.1
124.07597	13.3
124.08376	1.4
142.08640	19.4
166.08592	1.6
184.09654	17.1
202.10744	100.0
220.11739	7.3
244.71313	1.4
282.35370	1.4
392.64380	1.5
406.12894	1.5
415.25223	1.5
480.33337	2.3
500.98035	1.6
501.40894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91843	0.8
55.05519	1.4
56.05036	6.5
56.17315	1.0
57.07079	1.6
58.06605	2.4
60.04532	24.9
60.13944	1.1
64.13214	1.0
67.05515	2.3
67.12582	1.3
68.05017	1.8
69.03425	5.0
69.07072	2.6
70.02980	1.4
70.06589	1.7
71.08623	1.3
72.04518	9.1
73.02914	1.6
74.06088	16.5
79.05510	1.2
80.05029	1.3
81.03440	6.7
81.07068	2.1
82.06584	2.2
83.04975	1.6
83.08639	4.9
84.04502	20.5
85.02910	5.1
85.10165	1.6
86.06080	18.2
87.04456	1.2
92.43031	1.2
95.08602	2.9
96.04533	1.6
97.02898	17.1
97.10184	2.3
98.06041	5.3
99.04469	1.3
102.05544	10.1
104.10782	2.0
109.10149	2.1
110.06049	2.4
111.04447	1.8
114.05541	4.6
122.06029	5.8
126.05544	7.8
127.03925	2.1
128.07097	1.5
129.05457	1.2
138.05533	1.7
140.07103	4.3
144.06560	4.3
156.06508	2.2
163.11438	1.2
168.06587	2.1
170.08124	2.8
186.07635	7.0
188.09167	4.8
191.56744	1.2
191.58769	1.4
204.08737	5.9
206.10229	38.3
241.93939	1.3
246.79674	1.1
264.26904	1.8
265.25583	1.6
282.28000	2.4
288.43890	1.4
300.29160	2.0
306.27979	5.1
324.29065	7.0
325.27136	1.7
342.30142	2.5
426.32025	2.8
444.33200	16.9
462.34265	61.2
480.35352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74129	1.2
51.14337	1.0
55.05516	5.6
56.05052	5.7
57.07079	2.2
58.06609	46.1
60.04532	27.7
67.05521	8.0
69.03443	3.0
69.07079	10.0
70.06587	1.8
71.08649	1.9
72.04536	9.7
74.06085	13.9
79.05529	2.1
80.05072	2.2
81.03430	7.1
81.06662	1.4
81.07052	10.8
82.06565	1.7
83.08636	6.8
84.04505	24.7
85.02911	2.5
86.06069	18.6
88.07661	1.3
91.05531	1.5
93.07040	3.0
94.06600	1.8
95.08630	7.5
95.29814	1.4
96.04494	3.1
97.02888	16.2
97.10186	3.7
98.06070	6.4
99.04428	1.7
102.05583	6.5
104.10778	1.5
107.08590	3.0
109.10168	2.9
110.06057	3.3
112.04051	1.8
114.05539	8.3
121.10160	2.8
122.06075	1.5
126.05553	9.6
127.03960	2.4
128.07101	1.7
129.05482	1.7
131.32547	1.4
136.40538	1.3
138.05559	3.1
140.07120	2.6
144.06602	6.4
156.06572	2.0
168.06575	2.3
170.08102	2.6
186.07729	8.4
188.09250	6.9
204.08784	7.7
206.10249	45.3
206.12126	1.9
247.44104	1.5
276.26843	1.5
282.27975	6.0
306.28036	8.2
324.29108	8.9
325.27307	22.5
342.30273	8.3
426.32022	4.9
444.33115	12.4
462.34262	58.8
480.24323	3.2
480.35498	100.0
496.74396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27712	1.2
55.05532	1.0
56.05036	7.3
57.07086	2.8
57.36074	1.1
58.06608	1.8
58.83608	1.0
60.04534	22.0
62.15901	1.1
66.92658	1.1
67.05511	2.9
68.05013	1.1
69.03418	4.8
69.07060	2.1
70.02937	1.2
70.62566	0.9
71.08643	1.5
72.04513	7.0
74.06084	15.7
80.05009	4.2
81.03407	7.4
81.07061	2.1
83.04996	2.0
83.08636	1.6
84.04505	22.6
85.02876	4.0
86.06064	15.8
93.07069	1.2
95.08610	4.6
95.52351	1.3
96.04495	1.7
97.02879	15.5
98.06056	6.9
99.04461	1.4
100.03984	1.4
102.05549	8.8
109.02927	1.1
110.06029	4.1
111.04471	1.4
114.05535	2.5
115.03928	1.3
117.73827	1.3
122.06017	1.4
124.07567	1.3
126.05512	5.7
127.03954	1.9
129.05455	1.5
137.83022	1.2
138.05490	5.2
140.07071	5.6
144.06557	4.4
156.06561	2.2
168.06535	2.6
170.08122	2.7
176.21823	1.3
186.07646	6.1
188.09193	7.4
204.08684	7.1
206.10223	39.8
221.41414	1.2
264.26779	2.7
265.25229	1.4
266.28470	1.3
276.27036	1.6
282.27997	5.0
294.27579	1.3
306.27979	5.5
324.29181	6.3
332.41492	1.3
336.12372	7.9
342.30072	5.0
426.32004	5.2
444.32886	9.7
462.34216	56.6
480.35330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
56.05043	1.0
60.04528	17.0
67.05495	1.1
68.05033	1.3
69.03430	3.2
69.07059	3.2
70.06599	1.3
71.04995	3.1
72.04521	7.9
73.02915	4.7
79.05493	1.0
79.72288	0.7
81.03415	1.3
81.07047	1.9
82.06566	1.0
83.08623	1.0
84.04505	0.9
88.03991	10.9
95.08638	0.9
98.06057	6.6
99.04454	16.2
101.05961	0.8
102.05534	1.5
102.19892	0.7
107.08603	1.1
109.10123	1.1
110.07455	0.8
114.05522	2.7
116.03443	1.0
116.07094	3.0
116.47030	0.8
117.05493	21.8
118.05011	33.0
128.07080	1.0
133.10072	0.8
134.08131	3.0
140.07054	1.4
144.06549	3.0
158.08153	1.8
168.06554	1.0
176.09195	3.9
180.08717	3.4
184.89461	0.8
186.07602	1.1
190.67589	0.8
204.08699	1.2
213.53172	0.9
222.09793	5.1
264.26898	1.9
270.27939	1.4
282.27893	1.5
300.28979	1.8
318.30023	1.1
462.34018	3.6
480.35336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05511	1.2
56.05030	5.6
57.03428	1.5
57.07081	2.1
58.06614	1.5
60.04528	19.7
68.05025	2.1
69.03426	6.1
69.07074	2.3
71.08648	1.9
72.04507	7.2
74.06082	17.4
76.03307	1.2
80.05029	2.2
81.03437	3.4
81.07062	1.6
82.93754	1.2
83.05026	1.3
83.08594	1.6
84.04520	18.8
85.02917	2.8
86.06056	17.6
91.59163	1.3
93.07047	1.7
94.29906	1.6
95.08585	5.1
96.04480	1.8
97.02888	15.9
98.06057	7.7
99.04465	1.3
102.05555	8.1
102.21237	1.4
103.03974	1.4
103.27939	1.6
109.02859	1.4
109.10147	2.0
110.06020	5.2
111.04453	1.4
114.05539	3.1
124.07642	1.6
126.05535	7.1
127.03959	1.5
129.05553	1.9
138.05525	6.7
140.07111	3.0
144.06578	5.6
168.06607	2.3
170.08099	5.4
174.11040	1.4
176.75056	1.3
186.07666	5.4
188.09204	9.1
204.08751	7.6
206.10220	43.0
278.28513	1.6
282.28027	3.2
306.27847	2.7
320.09015	1.7
324.28983	6.0
336.12302	7.7
342.30112	3.0
408.31003	1.6
426.32132	2.4
444.33295	9.7
462.27997	2.7
462.34259	58.9
480.35321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.2
56.05038	7.1
60.04530	17.3
67.05504	1.4
69.03411	2.9
69.07075	1.6
70.02887	1.2
72.04522	6.3
74.06079	50.7
78.84255	1.2
79.05476	1.2
80.05029	2.5
81.03431	3.1
81.07062	1.9
83.08614	2.2
83.20786	1.2
84.04497	13.5
85.02932	2.6
86.06059	13.2
94.14701	1.3
94.36179	1.3
95.08604	2.1
96.04484	2.0
97.02898	11.3
98.06033	3.0
99.04463	1.6
102.05568	5.3
103.28142	1.1
109.10191	1.5
111.04428	1.4
114.05564	2.1
119.31186	1.3
126.05565	2.2
127.03898	1.7
138.05470	1.8
140.07098	1.6
144.06609	1.8
156.06599	1.4
168.06500	2.2
174.07611	1.8
180.85995	1.5
186.07632	3.2
188.09271	5.9
204.08682	6.5
206.10211	29.2
210.65488	1.5
213.31160	1.8
265.25302	1.8
282.27975	1.8
294.27808	1.5
303.78674	1.3
306.28009	1.7
330.29709	1.8
342.30200	1.9
426.31985	5.1
444.33237	5.4
462.34213	34.5
480.35355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	25.3
71.08605	15.8
85.10187	20.1
89.06033	71.1
90.50469	10.2
133.08562	11.4
166.94887	10.0
217.92186	11.0
251.45416	13.6
369.29953	11.0
463.40079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44243	0.5
65.08694	0.7
84.49133	0.6
87.04864	0.7
114.15462	0.7
123.88468	0.7
142.36662	0.9
165.29231	0.8
187.43048	0.8
244.57715	0.8
248.89761	1.0
250.89529	2.8
250.97046	7.7
268.98248	27.6
269.00946	1.2
356.37720	0.7
396.49286	0.7
481.13107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1315
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
97.51813	0.8
174.56613	1.0
481.13153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.13
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
55.10299	0.8
60.62540	0.8
60.63404	0.8
66.26276	0.8
80.12449	0.8
85.02877	1.6
105.87456	0.9
105.90858	0.8
121.06510	4.1
122.06887	1.3
141.58429	0.9
143.01930	1.8
148.04779	1.9
155.01923	1.7
157.03476	1.2
161.03001	1.5
173.02986	3.4
185.02950	2.2
197.03003	0.9
199.04538	13.7
203.04118	2.1
208.35509	1.0
211.04533	7.6
217.05638	5.6
221.05196	1.1
225.06042	1.8
229.05602	4.5
241.05583	6.7
245.05040	9.7
263.06177	1.2
268.98315	1.7
273.08215	1.3
283.06598	3.4
301.07635	22.6
319.08746	19.8
361.09836	2.0
391.10721	2.0
481.13177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07803	0.2
73.11105	0.2
73.65002	0.2
82.11491	0.2
87.04477	1.7
108.50827	0.2
137.05925	0.7
198.91327	0.2
276.08749	0.8
288.08881	0.2
305.09158	0.7
309.01422	0.2
316.08496	0.3
318.09998	0.8
321.08865	1.2
322.10184	0.4
331.10873	0.3
333.08688	6.5
333.12247	0.5
334.09433	5.5
335.10251	1.0
336.10977	5.9
337.12369	1.9
345.08685	0.2
345.12381	2.9
347.10205	1.0
348.10962	0.3
349.11890	3.0
351.13397	0.4
361.08112	4.6
361.11896	2.4
362.08945	8.3
363.13361	12.6
375.09598	0.8
375.13892	0.4
377.11279	68.2
390.11859	0.7
403.12808	1.5
419.12216	1.1
421.13870	4.2
447.12119	0.4
463.14944	1.4
465.13367	0.3
481.16049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
67.92896	0.5
68.05034	0.9
69.03429	2.1
73.02908	3.0
81.03394	0.9
85.02909	1.1
86.03246	0.5
95.06094	25.8
97.02884	2.9
109.02876	0.7
113.07127	100.0
119.04938	2.4
121.93481	0.5
147.04419	4.1
151.07518	6.9
152.07896	4.7
169.08582	1.0
170.08887	0.7
175.03886	18.9
207.06529	22.4
275.12387	1.0
296.10977	0.5
315.14267	1.1
351.10873	0.6
369.11697	0.8
481.18066	24.6
493.68210	0.5
506.88223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28284	0.3
59.34423	0.3
68.05017	0.6
71.85156	0.3
75.57069	0.3
75.64803	0.3
81.03412	1.5
84.68021	0.3
85.35693	0.3
91.05458	1.3
92.21551	0.3
95.06088	25.7
113.07124	100.0
114.74680	0.3
119.04946	3.6
147.04410	4.4
166.87331	0.3
175.02341	0.4
175.02756	0.3
175.03889	16.6
207.06517	21.8
234.99080	0.4
275.12280	1.5
351.10782	0.5
369.11874	0.6
452.86343	0.4
481.18118	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58551	0.9
53.49380	0.8
53.63169	0.7
55.01882	4.0
56.77048	0.7
61.30298	0.9
77.94923	0.9
85.02935	3.6
97.02832	1.0
99.04467	1.9
104.97432	0.8
122.05927	1.1
130.04993	1.2
150.05492	1.1
163.01813	1.5
164.07112	1.5
168.06578	5.0
178.08643	1.8
188.99741	1.2
194.08080	1.6
198.11520	1.9
199.06293	1.0
207.00945	1.3
227.08212	4.6
228.10326	4.8
229.09697	1.3
243.11404	4.3
245.09270	5.7
254.08160	1.6
255.11156	1.9
257.09332	6.9
258.10153	1.4
265.11899	4.4
269.12836	1.0
271.10834	8.6
273.12494	1.1
283.10803	1.1
289.11816	22.2
291.13461	2.0
295.10745	1.2
297.12527	1.4
299.10336	18.2
301.11832	1.4
313.11948	4.8
314.12485	1.4
315.13416	11.9
317.11343	78.4
319.12952	6.6
327.13461	2.1
345.14423	1.9
355.12839	1.7
373.13980	18.5
379.04501	1.8
381.14127	1.1
387.15421	1.2
399.15381	1.4
409.14151	1.4
415.15247	1.6
427.15063	6.9
445.15747	7.6
463.17044	9.6
481.12378	8.4
481.18253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06368	0.3
63.85139	0.3
63.89896	0.3
68.05023	1.6
72.25988	0.3
81.03425	0.9
91.05476	0.5
95.06095	24.7
109.02932	0.6
111.35929	0.4
113.07130	100.0
119.04942	2.8
147.04430	5.1
149.05986	1.7
151.03918	4.3
175.03900	16.2
177.05493	6.4
207.06531	21.2
238.22034	0.4
273.11108	0.4
275.12164	1.3
301.10837	0.8
319.11713	1.5
369.11615	0.9
481.18158	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28284	0.3
59.34423	0.3
68.05017	0.6
71.85156	0.3
75.57069	0.3
75.64803	0.3
81.03412	1.5
84.68021	0.3
85.35693	0.3
91.05458	1.3
92.21551	0.3
95.06088	25.7
113.07124	100.0
114.74680	0.3
119.04946	3.6
147.04410	4.4
166.87331	0.3
175.02341	0.4
175.02756	0.3
175.03889	16.6
207.06517	21.8
234.99080	0.4
275.12280	1.5
351.10782	0.5
369.11874	0.6
452.86343	0.4
481.18118	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80774	0.4
58.03989	0.4
65.80753	0.4
68.05042	0.5
78.19128	0.4
80.74162	0.5
80.87859	0.5
81.03412	0.8
91.05467	0.6
95.06089	25.5
113.07122	100.0
119.04926	3.3
147.04411	4.3
169.08658	0.5
175.03891	17.6
175.05299	0.9
206.63979	0.5
207.06503	21.8
275.12564	1.2
304.94791	0.6
369.11719	0.9
481.18179	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
54.83952	0.2
55.01879	6.3
55.86547	0.3
57.03426	0.4
58.06559	0.3
59.90969	0.3
69.03433	3.8
70.80109	0.3
71.04993	1.8
73.02924	6.2
81.03427	12.9
81.63935	0.3
83.05008	0.3
84.01590	0.3
84.72153	0.3
85.02904	4.4
87.04472	0.7
97.02898	2.5
99.04458	100.0
99.68970	0.3
105.46330	0.3
109.02878	6.2
123.04443	0.3
127.03920	8.8
128.03421	2.3
137.06076	0.3
141.05486	2.6
145.04984	1.5
153.09100	0.3
171.06557	0.4
193.08542	0.4
207.06612	0.5
211.09653	0.5
218.06612	3.4
225.07504	1.6
243.08620	7.1
260.07678	0.5
290.08786	0.5
322.10309	0.6
326.08734	3.1
336.12170	0.5
337.12640	1.9
344.09726	7.3
362.10806	19.4
396.78616	0.3
428.15509	0.4
481.20258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87429	0.7
52.63170	0.6
53.03954	3.1
55.01883	6.8
56.31284	0.6
69.03428	4.9
73.02912	7.0
79.05384	0.7
81.03418	13.8
85.02889	5.0
87.04454	1.1
97.02882	5.0
99.04456	100.0
103.68141	0.7
109.02890	8.6
118.52960	0.7
121.06560	1.0
127.03907	11.0
128.03426	1.7
137.05978	1.2
141.05411	1.4
145.04970	0.7
153.88622	0.7
159.06851	0.7
218.06555	4.7
225.07556	1.7
243.08640	7.6
298.14108	0.7
305.55188	0.7
326.08713	3.1
344.09769	9.7
362.10696	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80958	0.8
55.46841	0.7
56.67236	0.9
59.73209	0.9
60.89399	1.1
61.09320	0.8
82.50597	1.0
85.02903	1.9
93.88995	1.1
107.55172	1.0
231.07735	4.1
233.14058	6.6
259.11874	14.2
277.12933	100.0
284.11569	5.6
302.12454	45.6
315.15152	1.1
319.15109	53.5
378.23627	1.2
397.60840	1.0
481.20444	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.9
55.05519	2.1
57.07082	22.1
62.81768	0.9
67.05508	8.7
69.03436	10.7
69.07079	2.3
71.04987	2.0
71.08640	13.6
77.27220	1.1
81.03423	16.4
81.06610	1.0
81.07051	9.3
83.08619	5.4
85.10175	7.6
89.93238	1.0
95.08596	14.3
97.02892	58.8
97.10152	1.9
99.04455	100.0
101.79041	1.2
106.07515	1.2
106.34444	1.2
109.02901	14.6
109.10149	7.0
123.11728	2.1
127.03905	23.1
145.04898	2.0
225.07483	4.9
237.96889	1.3
239.23651	16.2
481.30853	1.9
481.36765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.2
58.84877	1.2
69.07076	2.1
81.07048	1.9
92.20962	1.4
95.08624	5.7
97.02888	2.5
99.04479	3.5
102.73803	1.3
104.84573	1.5
109.10146	2.2
110.43699	1.5
119.08551	2.3
121.10147	3.4
164.89436	1.6
169.88145	1.4
179.14140	1.6
481.36517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.9
55.89604	2.7
57.07083	18.3
57.21623	2.9
62.06027	2.9
64.01481	2.9
66.55407	2.8
69.07075	7.7
71.08633	16.6
81.07083	12.3
81.77190	3.2
83.08637	16.3
85.10191	6.3
89.26331	3.2
93.07092	4.5
95.08583	7.2
96.07336	3.2
97.10173	8.0
99.04475	4.9
107.08599	6.0
109.06550	4.7
109.10177	5.7
123.08103	5.5
125.05997	5.2
126.51299	3.4
127.07554	24.1
131.57573	3.1
139.07565	49.7
147.11731	3.5
149.06030	3.2
177.09003	5.3
382.53970	3.4
445.37000	24.0
463.37830	100.0
481.36609	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.3
56.08192	2.6
57.66427	3.2
67.05508	8.4
69.07062	16.8
77.26772	2.9
81.07062	21.4
83.08620	15.9
93.07077	4.4
95.08602	19.3
97.10175	13.4
106.43581	3.6
109.10162	13.6
111.08086	6.1
111.11777	3.4
121.10143	32.9
123.11721	3.9
124.97457	3.2
128.10747	6.2
130.51120	3.6
131.90387	3.5
138.09067	4.0
138.12746	8.1
139.07556	21.7
139.11172	15.9
149.09671	4.7
156.10207	48.4
156.13815	5.8
166.12167	3.5
174.11232	30.8
184.13318	100.0
202.14394	34.5
280.26569	5.2
293.20184	3.8
308.29410	7.9
423.66702	3.7
481.36749	4.0
495.56952	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22114	0.7
55.96814	0.6
57.75208	0.7
59.88342	0.7
63.52342	0.7
69.15987	0.8
88.27377	0.8
95.08700	0.9
97.60947	0.6
100.26186	0.8
108.14970	0.8
112.66641	0.9
132.28178	0.8
132.95937	0.7
150.77167	0.8
151.18335	0.8
190.04999	9.8
248.57910	0.8
319.08362	1.9
320.09048	7.5
334.10852	5.5
336.12338	3.6
338.14124	0.9
424.08258	4.1
437.08960	1.3
438.09744	19.2
450.09564	14.0
452.07648	50.8
456.21277	0.9
466.09222	60.9
467.09738	10.2
482.12439	100.0
482.20065	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
92.85072	0.9
118.26794	0.9
132.95065	0.8
136.51866	0.8
141.97835	0.9
176.51176	0.8
185.77338	1.0
204.95525	1.1
214.50491	0.8
319.08371	3.6
320.09189	4.3
334.10739	5.5
346.82315	1.0
378.02713	1.1
424.08011	6.6
436.08215	4.3
438.09695	19.0
450.09763	13.3
452.07651	63.7
466.03799	1.3
466.09210	63.3
467.09912	12.3
482.12335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04699	0.4
55.29171	0.3
120.19272	0.4
125.40105	0.4
137.05992	1.6
139.43106	0.3
149.05981	0.7
149.67552	0.4
156.01010	0.4
159.04338	0.5
176.07057	100.0
196.38405	0.4
221.86490	0.4
280.50653	0.5
309.78769	0.4
320.09000	4.2
322.10794	1.5
334.10608	1.4
338.10147	0.7
338.13849	0.8
395.89462	0.5
482.14426	31.1
503.65884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82023	0.5
57.02132	0.6
58.06609	0.8
97.45609	0.6
97.55942	0.6
101.18666	0.6
151.36218	0.6
254.24509	0.6
276.06482	0.9
290.08099	11.9
296.84146	0.7
302.08249	3.5
304.06036	10.1
306.07736	0.6
318.07578	16.2
318.11072	0.8
319.08380	60.5
320.09128	5.6
321.09601	0.7
334.10718	100.0
336.12253	1.4
338.13385	2.1
423.67966	0.6
458.15344	1.1
482.16022	50.9
482.24966	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89188	0.6
137.61920	0.6
198.27910	0.6
290.08127	0.9
319.08371	6.0
320.09274	4.7
334.10782	11.2
423.10922	1.3
424.11737	8.1
435.11060	0.8
436.11752	1.3
438.13367	24.6
439.13943	0.8
450.13635	10.7
451.10562	1.4
452.11313	37.9
466.12863	63.9
467.13641	18.0
482.15900	100.0
488.77615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79953	0.4
56.90985	0.5
58.06572	0.6
58.89535	0.6
60.94233	0.5
190.05031	0.8
258.85886	0.5
290.08096	10.3
302.08130	3.1
304.06000	11.3
318.07617	16.0
318.11066	0.8
319.04959	1.1
319.08386	62.0
320.09091	4.5
334.10736	100.0
336.12634	0.6
390.10333	0.7
452.06284	0.8
482.16129	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48478	0.3
61.93340	0.3
68.19774	0.3
92.21579	0.4
98.26571	0.3
124.27514	0.4
236.54166	0.4
294.11185	0.4
299.48978	0.5
308.12759	17.2
320.09174	2.0
320.12820	3.8
322.10712	8.4
336.12289	22.9
337.13065	40.9
352.15430	100.0
454.13370	0.5
482.18137	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18110	0.5
68.62425	0.5
68.76505	0.5
69.03432	0.7
70.06579	0.6
73.16979	0.6
79.80041	0.5
81.03427	0.5
84.08138	0.9
85.02924	4.1
86.09708	1.1
91.05503	0.6
95.64930	0.5
97.02904	1.1
99.04574	0.6
103.05479	2.4
107.04950	1.0
109.02921	4.8
120.08110	100.0
127.03888	0.6
129.10255	1.1
131.04947	3.6
137.05965	0.9
141.05489	2.9
145.04959	0.9
149.05983	1.0
166.08635	44.7
190.58981	0.6
213.31583	0.5
347.71317	0.6
404.17245	0.6
446.17755	0.8
482.19931	2.9
482.25455	1.1
491.75983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72610	2.5
55.01874	6.3
56.62240	2.5
57.54256	2.2
69.03403	5.3
69.07061	11.7
70.02966	3.0
70.06596	21.0
71.28770	3.1
72.04527	21.9
73.02921	4.8
77.20028	2.8
81.03418	18.9
83.04976	6.9
85.02906	15.4
85.06535	5.6
86.09696	6.2
87.08112	3.1
90.05569	60.1
95.04999	2.9
97.02905	17.1
98.02425	13.5
99.04465	11.4
100.03983	12.5
101.93230	3.4
104.07124	3.0
109.02887	37.9
113.06033	4.0
116.03458	33.6
119.70586	3.2
121.06463	3.6
124.07597	24.0
125.06021	6.3
127.03925	26.1
132.06569	5.9
136.06256	3.2
138.05487	4.6
142.08636	17.5
145.04968	6.6
153.05489	13.6
155.03494	3.5
160.09685	13.8
172.09743	5.6
174.11246	18.2
181.05022	3.2
184.09688	49.2
199.06009	4.9
202.10730	100.0
202.12515	4.7
211.09651	3.1
220.11815	16.5
230.10123	3.4
234.09706	11.0
236.01451	3.3
262.12875	14.1
303.12628	4.0
310.12863	4.4
328.13882	83.7
346.14859	22.9
364.16058	88.2
482.21112	20.4
496.77869	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.29
Annotation	Cytochalasin IV
Peak:m/z	Relative Intensity
55.05516	3.2
56.78669	2.8
59.81971	2.8
67.05496	4.6
69.07086	3.1
79.05492	3.7
81.07071	12.8
91.04961	3.7
91.05490	63.1
93.07040	15.9
95.08607	13.4
105.07039	29.6
107.08604	20.5
109.10136	7.6
117.07121	3.5
119.08573	20.5
120.08095	42.9
121.10130	12.6
129.06972	5.1
131.08531	7.5
133.10138	12.7
135.08046	4.8
143.08553	6.4
145.10136	17.0
147.11691	14.4
149.09700	3.0
150.09082	3.5
155.07074	4.5
157.10146	7.6
159.11687	7.2
161.09590	4.1
161.13272	7.2
163.11281	4.2
171.11670	16.3
172.07561	12.2
173.13290	4.2
174.09090	4.7
183.11653	5.7
184.07452	4.3
184.13293	5.3
186.09198	3.5
186.12788	17.4
187.09944	4.6
189.12773	5.3
198.09175	3.7
200.10754	5.5
207.11719	5.3
220.36629	3.7
226.12259	6.8
240.13786	7.5
240.85324	3.5
252.13664	3.7
258.15018	4.1
264.13840	45.7
278.15338	19.8
292.22632	7.1
295.06531	3.2
310.17783	3.4
318.18427	4.1
319.19174	4.5
319.28284	4.0
321.09833	15.0
334.23819	6.1
336.12332	54.7
338.13800	23.2
339.14014	6.5
410.24808	7.4
410.35550	3.5
428.25922	35.8
446.26962	100.0
464.27899	67.9
470.86017	3.4
482.29080	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57921	1.2
55.05541	1.4
57.07072	4.9
60.08171	8.1
61.31672	1.0
63.15011	1.2
67.05507	1.4
69.07044	1.4
71.08656	1.4
78.70606	1.3
81.07065	3.0
83.08636	2.0
86.09714	34.9
95.08630	2.9
104.10751	84.6
109.10193	1.6
125.00014	13.4
161.74458	1.3
173.09229	1.4
184.07349	100.0
240.29140	1.2
250.60739	1.6
299.25790	2.9
320.08899	2.1
346.42719	1.3
346.47455	1.3
365.38690	1.4
412.97870	1.6
464.31314	5.2
482.32440	62.8
482.39435	2.8
489.08707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82121	0.6
52.53554	0.7
53.17511	0.6
54.00126	0.7
57.07079	1.5
60.08178	8.1
63.83174	0.7
65.37443	0.6
67.05491	1.0
71.07375	1.5
71.08629	3.2
73.32490	0.6
85.10202	0.8
86.09708	35.4
95.08584	1.0
104.10748	84.3
124.50312	0.7
125.00002	15.2
141.30325	0.7
151.25946	0.7
163.01628	1.2
173.02408	0.7
184.07338	100.0
299.25604	1.8
320.08755	2.0
464.31314	6.2
475.93073	0.7
482.32382	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34384	0.6
57.07085	1.2
60.08173	4.5
61.95827	0.5
86.09705	21.7
104.10783	1.0
125.00022	8.9
164.42026	0.7
184.07338	100.0
184.61824	0.6
215.30963	0.7
444.20758	0.8
464.31104	1.5
482.32324	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
56.97928	3.2
57.03439	4.4
57.07091	37.7
62.06097	26.5
67.05506	5.1
69.07056	3.8
71.08629	33.9
73.74338	3.6
81.07082	13.5
82.10044	3.6
83.08605	4.5
85.10176	26.0
89.06029	21.4
92.20943	4.6
95.08611	17.9
97.10141	4.4
109.10191	8.6
117.93410	4.0
131.30962	3.9
133.08556	4.2
155.01080	4.3
237.11292	6.7
310.30865	9.5
341.30502	100.0
405.78906	3.9
442.90933	4.6
464.31033	17.7
465.37900	26.8
482.32339	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14975	1.0
57.07079	2.7
60.08180	9.1
71.07375	2.3
72.08151	2.0
81.07059	2.4
83.64204	1.4
85.36422	1.1
86.09708	38.5
94.81847	1.3
95.08634	2.6
104.10746	90.9
104.11449	2.9
124.99993	16.0
126.54613	1.3
149.84204	1.2
162.99608	1.4
184.07326	100.0
320.09390	1.8
336.12140	1.4
458.88150	1.5
464.31277	5.4
482.22159	1.8
482.32370	63.8
482.39365	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	0.6
55.05516	4.1
57.03445	8.7
57.07083	27.6
60.19970	0.5
67.05517	4.5
69.07068	4.9
71.05011	0.7
71.08635	25.0
71.44320	0.5
81.07067	9.8
83.08617	7.5
85.10179	15.2
89.06043	1.2
90.11347	0.6
95.08604	13.3
95.85745	0.6
97.10178	6.3
102.63520	0.7
103.07558	1.1
109.10157	5.8
110.22245	0.6
111.11741	1.1
123.11674	1.5
125.09689	0.6
137.13350	1.3
147.33266	0.6
184.13321	3.0
247.08305	0.7
285.27673	1.1
310.31009	3.9
341.30499	100.0
464.31464	1.4
482.32196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3603
Annotation	Lyso-PAF C-16
Peak:m/z	Relative Intensity
57.07079	3.1
58.06611	4.1
60.08163	9.1
61.76859	0.5
71.07381	0.8
71.08624	1.1
75.04478	0.9
77.14751	0.5
85.10176	2.1
86.09705	23.3
86.24393	0.5
90.36846	0.5
98.98489	1.1
104.10743	100.0
109.12859	0.5
110.59425	0.5
124.99995	15.5
184.07318	24.6
184.08849	1.1
234.35808	0.6
255.31256	0.5
327.28955	3.0
438.64865	0.7
482.36060	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04831	0.8
55.01878	0.8
55.05521	18.4
57.07077	13.1
59.75141	0.8
60.08176	1.4
66.18736	0.9
66.70225	1.0
67.05508	24.2
69.03461	0.9
69.07071	32.1
70.06604	2.0
71.05033	0.8
71.08630	9.6
72.08160	30.0
79.05489	9.6
79.26295	0.9
81.07059	52.4
83.04987	2.2
83.08625	33.4
84.08131	1.2
85.06562	3.5
85.10207	2.1
85.76360	0.9
86.06094	2.3
86.09722	5.3
91.05479	7.3
93.07039	14.0
95.04957	1.5
95.08609	49.1
95.09186	2.0
97.06516	7.8
97.10162	22.2
98.09751	1.1
100.07642	7.1
104.10726	14.6
104.11340	1.0
105.07029	8.6
107.08588	11.3
109.10156	24.8
111.08095	6.4
111.11745	4.9
114.09187	5.7
119.08562	11.6
121.10127	14.8
123.08099	1.5
123.11692	11.9
125.00059	2.2
125.09633	4.0
128.10745	1.8
133.10121	13.7
135.11702	7.5
137.09650	2.3
137.13304	6.2
139.11195	6.7
147.11719	7.7
149.13295	6.5
151.11209	3.6
151.14845	2.2
154.12250	1.5
156.14015	1.1
156.80792	1.0
161.13264	8.5
163.14865	4.0
165.16406	2.0
170.05859	1.9
172.02190	1.2
175.14876	5.5
177.16434	1.4
179.14293	1.0
179.17998	1.7
184.07372	4.1
189.16432	1.9
219.21039	1.3
226.54747	1.0
226.57889	1.0
245.22589	8.5
256.42184	1.2
263.23639	15.6
268.26642	1.1
273.25839	2.0
273.65131	1.0
276.95996	1.1
280.26337	34.3
291.26990	5.0
298.27548	5.6
299.25919	1.9
308.29471	10.0
313.27615	5.0
326.30737	1.8
464.31732	1.8
482.38492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40218	2.7
57.07088	4.9
62.08801	2.5
64.56889	3.0
64.92252	2.8
72.12639	3.1
83.90327	3.6
85.10170	3.6
89.06032	100.0
103.80305	3.1
133.08604	40.8
140.09561	3.1
175.72899	3.6
273.79031	3.9
283.17520	70.2
465.37891	7.9
482.40103	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	13.2
67.05518	10.3
68.53853	5.3
69.07079	10.4
81.07062	11.8
82.51574	6.4
83.08626	7.0
89.06026	6.6
91.05473	7.0
93.07020	9.9
95.04969	100.0
95.08621	9.8
97.10181	7.2
105.07039	12.0
107.08633	6.0
109.10153	8.6
111.08070	7.8
112.57569	6.2
119.08608	9.5
121.10127	7.2
135.08020	10.9
138.24725	6.1
153.09100	6.1
160.02036	6.4
160.70718	6.2
164.75725	6.0
171.00008	5.7
258.07022	6.3
417.94727	8.0
447.38159	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59184	0.7
63.26564	0.7
64.29372	0.7
82.98808	0.8
98.97611	4.2
116.98613	2.0
130.46510	0.9
134.99658	1.5
216.98721	3.5
234.99721	4.7
256.96613	3.9
258.99759	4.3
274.97568	11.7
277.00861	5.2
280.96606	2.1
282.99921	6.0
292.98511	8.8
298.97720	57.1
299.97745	1.4
301.01031	7.0
316.98782	100.0
317.99020	1.7
334.99802	4.5
340.98605	1.3
358.99774	1.5
361.33353	0.9
374.97635	1.2
398.97626	4.5
416.98889	13.0
422.97809	1.7
440.98898	32.5
458.99957	49.7
460.00180	1.2
477.01385	1.1
482.99841	7.9
501.00778	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53059	0.5
70.02942	0.4
84.04517	4.7
84.08140	0.8
85.02905	0.9
87.04485	0.6
87.05613	0.7
87.35989	0.5
115.03947	0.9
120.08141	0.6
126.05478	3.7
133.04984	1.0
136.11992	0.5
137.05992	1.0
175.08730	0.8
200.07066	2.2
280.12909	3.0
294.07565	2.0
306.07730	0.6
307.08319	1.0
308.08911	0.8
315.27438	0.5
321.08685	93.9
322.09515	4.6
323.10623	0.9
329.24429	0.5
333.08716	2.0
334.09860	0.7
335.10196	2.6
347.10281	1.1
349.08200	0.5
350.13983	0.7
363.09695	13.6
393.10913	2.5
405.17877	0.7
421.21246	4.1
439.22006	0.7
483.13974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53059	0.5
70.02942	0.4
84.04517	4.7
84.08140	0.8
85.02905	0.9
87.04485	0.6
87.05613	0.7
87.35989	0.5
115.03947	0.9
120.08141	0.6
126.05478	3.7
133.04984	1.0
136.11992	0.5
137.05992	1.0
175.08730	0.8
200.07066	2.2
280.12909	3.0
294.07565	2.0
306.07730	0.6
307.08319	1.0
308.08911	0.8
315.27438	0.5
321.08685	93.9
322.09515	4.6
323.10623	0.9
329.24429	0.5
333.08716	2.0
334.09860	0.7
335.10196	2.6
347.10281	1.1
349.08200	0.5
350.13983	0.7
363.09695	13.6
393.10913	2.5
405.17877	0.7
421.21246	4.1
439.22006	0.7
483.13974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59446	1.2
73.35511	1.1
76.36628	1.1
90.31636	1.1
96.36337	1.2
101.00872	1.4
119.01866	1.5
124.99087	1.3
143.00195	7.6
143.01901	5.0
155.01930	5.5
161.01218	2.9
161.02997	2.6
170.99646	5.2
173.02948	6.0
175.02753	1.6
183.04938	2.2
185.01421	2.0
185.02881	8.9
187.04584	1.6
189.00677	2.6
197.02847	2.2
201.06076	43.5
203.02303	1.7
203.04019	2.7
208.64267	1.3
213.00624	2.1
213.06105	19.7
215.04019	2.9
219.07106	15.2
221.05261	1.6
225.06041	6.4
231.01797	9.2
231.07187	11.6
237.02832	1.4
243.07144	16.5
245.05054	20.8
249.02754	17.1
267.03748	9.9
269.27908	1.4
273.02856	1.7
285.04953	2.0
291.03964	5.7
303.09238	100.0
305.07114	1.7
309.05048	12.3
321.10333	31.9
365.09393	5.0
387.09454	1.4
405.07013	8.5
423.08011	8.0
423.13556	4.3
441.09320	11.7
483.15900	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59446	1.2
73.35511	1.1
76.36628	1.1
90.31636	1.1
96.36337	1.2
101.00872	1.4
119.01866	1.5
124.99087	1.3
143.00195	7.6
143.01901	5.0
155.01930	5.5
161.01218	2.9
161.02997	2.6
170.99646	5.2
173.02948	6.0
175.02753	1.6
183.04938	2.2
185.01421	2.0
185.02881	8.9
187.04584	1.6
189.00677	2.6
197.02847	2.2
201.06076	43.5
203.02303	1.7
203.04019	2.7
208.64267	1.3
213.00624	2.1
213.06105	19.7
215.04019	2.9
219.07106	15.2
221.05261	1.6
225.06041	6.4
231.01797	9.2
231.07187	11.6
237.02832	1.4
243.07144	16.5
245.05054	20.8
249.02754	17.1
267.03748	9.9
269.27908	1.4
273.02856	1.7
285.04953	2.0
291.03964	5.7
303.09238	100.0
305.07114	1.7
309.05048	12.3
321.10333	31.9
365.09393	5.0
387.09454	1.4
405.07013	8.5
423.08011	8.0
423.13556	4.3
441.09320	11.7
483.15900	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13766	0.8
55.01886	1.2
55.05488	1.0
55.66439	0.8
58.06604	1.4
65.03946	1.1
69.03450	1.1
70.02967	1.6
70.06589	4.6
79.05500	2.5
79.63166	1.0
80.05023	1.3
81.03412	1.9
83.05003	1.1
83.50196	0.9
84.04494	2.0
84.08148	4.2
86.09689	2.1
87.04480	0.9
87.05600	6.2
91.05508	9.9
95.62373	0.9
97.02891	4.9
99.04459	1.2
106.06541	9.9
107.04967	4.3
108.04470	2.3
109.02888	5.5
109.06507	1.5
110.06033	1.5
111.04449	1.4
113.07127	1.8
114.05513	0.9
115.08698	1.7
119.04938	25.1
125.04736	6.6
126.05521	5.1
127.03916	1.0
129.10197	1.2
133.06076	1.5
134.06027	32.0
136.03952	5.5
136.07574	7.2
137.02353	1.6
138.05502	5.8
145.02846	1.0
147.04411	28.2
149.07120	6.6
150.05530	2.2
152.07007	1.1
162.05539	2.4
170.04370	1.4
175.03912	83.0
177.05209	1.4
177.06601	24.1
178.04964	15.0
179.06824	1.3
179.08174	13.1
180.06505	1.8
182.04514	4.5
194.04555	1.3
195.07805	1.2
206.04507	5.5
207.06529	100.0
208.09779	4.6
211.07149	4.4
223.07204	16.1
224.05560	2.3
234.11255	1.4
241.08189	12.9
259.09247	5.4
277.10275	2.3
320.09204	1.9
321.09192	5.3
321.17996	2.4
322.09616	5.2
322.13138	4.3
323.10312	4.1
338.12531	2.0
349.08163	2.0
375.09927	1.2
393.10867	1.2
417.10626	4.3
429.15329	1.1
447.13596	1.9
450.14896	1.4
465.14725	11.9
468.16095	1.1
483.18515	27.0
483.24579	1.9
508.83176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32327	0.5
66.73151	0.5
69.03436	0.5
70.06613	0.7
70.64449	0.5
81.03434	1.0
85.02937	2.0
98.51315	0.5
114.05539	0.7
143.08128	0.7
144.06561	0.7
148.22401	0.6
151.53102	0.5
161.09236	3.7
170.43668	0.6
183.01675	0.6
186.11159	0.6
195.07712	0.7
196.08438	0.6
202.48590	0.5
211.07141	0.9
213.08708	8.6
214.09538	2.5
223.07185	1.2
241.08229	7.0
257.07675	0.9
259.09219	10.4
405.12994	0.9
423.13895	6.9
465.14786	7.0
483.16083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1819
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
54.01206	1.0
55.05505	1.1
58.82567	1.0
65.86749	1.0
69.03434	38.5
71.05006	2.2
78.40004	1.0
79.37554	1.0
81.03413	11.4
82.02937	1.3
83.04981	17.7
85.02905	16.0
87.05594	38.4
92.20827	1.2
95.04938	1.5
96.04483	2.7
97.02907	2.4
99.04441	2.4
106.06538	1.3
108.04469	11.7
111.04424	15.7
116.89459	1.1
122.06021	8.1
126.05477	2.0
126.26108	1.1
127.03928	2.0
129.05476	24.3
130.62479	1.2
133.06085	8.7
134.06001	4.3
138.05429	1.3
150.05513	16.3
152.03433	5.4
165.06569	13.5
166.04991	11.1
167.08093	4.8
169.06197	1.3
171.06525	9.4
177.06705	1.5
189.07538	8.6
194.04477	43.6
197.09201	2.4
211.07141	100.0
213.08627	1.8
224.05504	1.6
241.08290	6.8
242.06569	1.7
259.09222	72.4
277.10300	22.9
295.11331	5.6
399.14133	1.3
429.14972	2.8
429.69574	1.2
447.16089	37.2
465.16974	8.2
483.16666	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47595	2.5
57.03457	2.8
57.91979	2.8
69.03411	5.6
81.03419	5.0
83.67907	3.3
99.04461	30.5
105.06989	4.5
105.46453	3.2
115.03934	4.1
121.10062	2.9
147.11717	3.8
167.75021	3.2
175.07632	4.0
178.06189	5.1
179.07042	3.2
181.08514	6.9
190.06323	30.2
192.07869	3.3
199.07547	4.8
205.05034	3.5
205.08601	78.1
290.08176	5.7
305.11542	4.1
311.23685	5.5
319.08395	18.3
320.08990	22.4
321.10748	4.4
323.12857	7.3
332.89337	3.3
334.10727	35.3
335.10767	29.2
336.13248	3.8
339.12265	13.9
354.14560	67.0
452.17975	3.5
468.09439	4.4
483.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	7-epi-Hydroxystaurosporine
Peak:m/z	Relative Intensity
52.47595	2.5
57.03457	2.8
57.91979	2.8
69.03411	5.6
81.03419	5.0
83.67907	3.3
99.04461	30.5
105.06989	4.5
105.46453	3.2
115.03934	4.1
121.10062	2.9
147.11717	3.8
167.75021	3.2
175.07632	4.0
178.06189	5.1
179.07042	3.2
181.08514	6.9
190.06323	30.2
192.07869	3.3
199.07547	4.8
205.05034	3.5
205.08601	78.1
290.08176	5.7
305.11542	4.1
311.23685	5.5
319.08395	18.3
320.08990	22.4
321.10748	4.4
323.12857	7.3
332.89337	3.3
334.10727	35.3
335.10767	29.2
336.13248	3.8
339.12265	13.9
354.14560	67.0
452.17975	3.5
468.09439	4.4
483.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	7-epi-Hydroxystaurosporine
Peak:m/z	Relative Intensity
50.21608	1.0
53.03947	2.0
61.93380	1.0
71.24812	1.0
79.12408	1.1
80.57076	1.1
81.03435	6.4
81.07069	1.2
92.21528	1.7
93.07044	1.3
94.14858	1.1
99.04472	23.1
113.06021	2.4
133.06546	1.2
160.05220	2.8
161.05943	1.5
166.06290	1.2
171.08163	1.4
175.07587	6.3
176.08414	1.5
181.08655	6.8
189.09033	1.2
190.06268	35.2
199.07605	6.2
205.08594	95.3
206.09373	1.4
221.79506	1.2
242.02693	1.2
276.11533	1.3
292.11038	1.4
293.11993	1.5
295.09668	1.9
304.10995	2.1
305.11597	3.8
307.13321	1.7
309.11215	2.3
311.12567	1.6
319.08453	1.7
320.09525	6.6
321.11264	11.1
323.12750	14.2
325.14304	1.4
335.12604	6.2
336.13617	8.1
337.10968	1.5
339.12173	16.9
354.14597	76.1
355.11905	2.3
367.15430	9.5
370.14075	2.3
385.16501	15.8
452.18607	2.0
483.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31528	1.6
70.02938	3.8
79.13914	1.8
84.04510	72.1
87.05586	8.8
91.05485	7.7
92.21032	2.4
96.04461	1.8
98.06046	2.6
101.07104	2.1
120.08088	13.9
126.05511	100.0
131.04955	6.4
138.05464	13.7
144.06516	2.5
166.08617	7.0
168.06560	3.2
172.07550	2.8
175.08667	29.4
182.05922	1.9
186.07562	3.9
200.07079	46.3
203.08255	2.1
204.08655	23.9
219.14737	1.7
221.09195	17.3
245.09297	3.7
246.07657	19.8
262.11914	3.7
263.10315	16.0
266.26886	1.9
280.12903	70.6
288.77567	2.2
289.02188	1.8
289.11282	1.9
291.70084	1.7
363.16461	3.1
483.20728	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	8.3
61.02940	2.2
69.03413	9.8
69.36344	1.7
69.76475	2.1
71.04987	19.7
73.02921	16.9
73.06546	4.3
81.03388	3.5
81.07066	20.9
82.62610	1.9
83.08577	2.1
85.02914	32.8
85.77803	1.9
86.09741	2.7
86.90908	2.0
87.04472	1.9
87.05564	2.3
93.07027	18.8
95.08599	2.9
97.02893	18.7
99.04427	7.9
105.07042	2.1
106.02924	2.2
107.08616	13.3
109.02881	4.6
115.03932	12.2
119.04910	3.3
124.03951	3.4
127.03891	12.2
133.05016	2.4
135.11687	30.7
137.22993	2.2
145.04926	8.3
147.04373	3.1
153.11494	3.2
153.12743	100.0
163.05998	3.3
175.03899	8.5
177.05431	2.3
185.38490	2.0
207.06525	9.3
251.07657	2.1
259.08203	3.3
295.10315	14.7
307.08279	15.2
319.25662	2.1
321.08752	10.5
322.10284	3.3
439.18515	10.5
465.13443	3.6
483.14075	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
55.05523	15.4
57.03444	6.2
57.07083	12.3
57.07293	0.7
62.38578	0.7
67.05527	7.3
69.07076	30.0
69.07434	1.3
71.08638	9.4
79.05508	1.4
79.43172	1.0
81.07065	8.0
83.08632	27.8
85.04739	0.8
85.10212	3.7
93.07067	5.1
94.89653	0.8
95.08611	9.5
97.06580	3.5
97.10172	23.9
98.98470	30.9
98.99095	1.0
99.44083	0.9
105.07098	0.9
107.08666	3.7
109.10187	4.6
111.11746	5.6
117.07003	0.9
119.08625	1.5
121.10188	6.7
123.08145	1.0
125.09605	1.0
133.10135	1.0
135.11729	4.2
148.99808	5.1
149.13327	1.0
155.01045	34.8
157.10233	1.5
173.02138	3.7
195.11797	1.4
229.04736	3.3
237.22298	2.0
247.06030	1.0
268.26395	1.0
290.56094	1.0
296.25986	3.5
311.25815	100.0
312.28854	1.1
329.45093	1.1
391.22446	1.7
447.25162	25.9
447.31635	1.7
483.24655	26.1
483.34760	2.9
483.41498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13348	3.2
56.01679	2.9
57.26720	2.6
69.33373	2.9
89.54663	3.1
91.91905	3.0
119.84658	3.0
143.17081	3.1
197.62938	3.9
198.33372	3.6
275.52240	3.8
279.15768	4.3
483.33856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22960	0.8
68.28370	0.8
84.24821	0.7
86.07040	0.9
114.07716	0.9
125.72160	0.8
159.51006	0.9
194.13792	0.9
483.34402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.8
67.05501	14.9
69.07052	5.3
79.05522	11.4
81.07059	16.4
83.08630	6.3
93.07010	14.6
95.08595	27.6
100.85450	3.5
105.07059	8.6
107.08604	13.4
109.10174	4.9
119.08585	8.2
121.10126	27.3
123.11729	14.4
131.08569	4.4
133.10153	6.3
143.08551	7.8
145.10106	8.7
147.11690	5.2
157.10069	12.8
159.11662	19.1
161.13303	4.5
171.11821	5.8
173.13260	4.8
183.11739	7.9
184.84015	3.4
185.13338	5.6
195.11713	5.6
197.13191	6.2
199.14757	4.4
223.14856	5.5
226.53348	4.1
281.22543	4.6
294.24335	5.1
296.25821	8.6
321.09613	4.9
336.12164	17.5
397.90240	4.0
423.32587	100.0
465.29407	4.4
483.23730	6.1
483.34924	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10077	0.6
55.01868	1.1
55.05277	1.3
55.05519	22.2
56.75104	0.7
57.06824	1.3
57.07083	29.5
62.72018	0.7
67.05506	12.3
69.03426	2.0
69.07075	8.6
71.08632	18.1
76.22208	0.7
79.05484	6.8
81.07061	13.3
83.04996	1.2
83.08625	24.5
85.06557	1.4
85.10188	8.5
92.21293	1.7
93.07057	2.0
95.08599	14.1
97.10167	41.3
107.08631	8.2
109.10152	7.5
111.08087	1.3
123.11720	1.6
125.09632	30.5
135.08060	4.0
138.66290	0.9
171.10211	1.5
189.11186	11.3
205.75960	1.1
227.12650	6.0
311.31262	1.2
403.70462	1.1
432.06857	0.9
483.36783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29325	0.7
54.36135	0.7
55.05519	20.7
55.59558	0.7
57.07085	24.5
66.07728	0.7
67.05515	13.1
69.03432	1.9
69.07074	8.0
71.08633	16.3
79.05492	5.7
80.53915	0.8
81.07065	14.5
83.04977	1.9
83.08629	22.7
85.10185	8.0
92.20948	1.0
93.07043	2.0
95.08612	11.7
97.10175	42.7
97.37512	0.7
101.09673	1.0
107.08594	11.3
109.10160	6.6
111.08110	1.0
125.09634	29.0
125.72409	0.7
135.08070	3.5
151.92807	0.8
153.09071	1.5
162.89380	0.9
177.22055	1.0
189.11185	11.0
227.12791	5.7
239.23717	1.4
326.98392	1.0
354.87540	0.8
483.36761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05523	18.1
57.06821	1.5
57.07082	24.4
67.05513	13.9
67.20341	0.7
68.59856	0.9
69.03432	1.7
69.07076	12.1
71.08634	17.6
79.05492	5.7
81.06612	1.4
81.07057	20.1
83.04977	1.3
83.08624	29.7
85.06554	1.9
85.10191	9.4
93.07043	3.6
95.08606	19.4
96.70277	1.0
97.06489	1.2
97.10172	44.3
105.07008	0.9
107.08584	9.4
109.10169	8.2
111.08067	1.3
111.11710	1.3
121.10148	1.6
123.11711	4.0
125.09627	31.7
135.08058	1.7
149.13290	1.6
154.12245	2.2
166.15916	2.0
171.14828	1.0
184.16937	0.8
187.13387	1.2
189.11229	8.7
212.16441	12.7
227.12778	5.8
230.17473	4.5
239.23741	1.1
277.21558	1.0
280.26660	1.1
298.27377	4.5
308.02148	1.0
326.30496	1.1
336.12357	1.1
342.31174	3.5
428.24490	1.0
483.36713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.5
57.07083	9.8
64.21573	2.2
64.81450	2.1
67.05507	13.2
69.07079	5.5
79.05485	2.7
81.03429	2.3
81.07065	10.5
83.08611	9.8
85.06556	2.4
85.10188	10.7
88.08214	2.2
91.05499	3.6
93.07050	5.0
95.04967	12.5
95.08610	10.3
97.10154	3.0
105.07037	5.0
107.08565	4.5
109.06524	3.7
109.10155	10.2
113.09652	9.0
121.10146	8.2
131.08548	3.9
133.10156	4.4
147.11649	4.0
149.09613	3.2
151.11243	3.3
153.63150	2.0
165.12758	51.5
167.14307	3.4
169.12227	2.6
170.11801	5.3
172.13353	2.8
173.11781	2.8
185.13326	2.8
185.32507	2.4
207.13878	2.5
212.23689	2.8
248.58995	2.3
268.26141	3.2
277.21619	82.1
292.09570	3.8
294.24265	100.0
311.25940	16.9
320.09366	3.5
321.09833	11.6
336.12192	21.6
382.26346	3.2
441.93036	2.9
483.22433	3.8
483.28976	7.6
483.41162	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63103	0.8
60.19628	0.8
60.58118	0.8
90.30901	0.8
102.56564	0.9
107.08627	1.1
111.75362	1.0
141.12962	0.9
158.08774	0.9
160.38428	1.1
171.70782	0.9
179.30467	1.1
191.61565	1.0
191.81108	0.9
240.51599	1.1
245.03822	1.1
329.44757	1.0
348.80530	1.0
483.38153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24932	1.0
81.07057	1.8
92.82897	1.2
93.07053	1.2
97.81596	1.3
106.73528	1.4
138.70512	1.1
146.95639	1.2
265.22241	1.1
483.38113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.07066	0.9
58.82365	0.7
64.47057	0.7
67.57983	0.7
87.31264	0.8
93.07066	1.0
97.10196	1.6
125.09715	1.4
164.87566	0.9
195.71729	0.8
464.85489	0.9
483.38083	100.0
502.77274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65719	0.7
51.93572	0.7
69.07076	0.8
69.42474	0.8
71.75380	1.0
76.71401	0.9
81.07092	1.3
86.09694	1.4
95.08612	1.4
112.82474	0.8
147.11717	0.9
157.92436	1.0
189.16411	1.2
271.28036	0.9
367.87775	0.8
483.38098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30243	0.8
75.82154	0.8
82.94265	0.8
99.05005	0.9
99.43631	0.8
121.78283	0.8
123.04417	4.3
124.94036	0.9
137.02354	3.9
149.02411	1.8
173.35852	0.8
174.05495	1.7
178.09294	0.8
190.05086	1.0
263.05917	1.0
290.08142	0.9
293.04495	3.3
306.07748	9.6
307.08475	3.6
309.09116	0.9
318.07697	3.7
320.05692	1.7
320.09219	5.0
321.10025	7.3
322.10684	1.6
334.07275	1.3
334.10574	6.2
335.07837	5.7
336.12204	11.3
337.08591	1.5
346.07199	1.4
353.07904	1.3
355.09546	1.3
365.08102	5.3
368.37311	0.9
374.06882	1.2
380.09277	1.1
381.07462	3.4
383.09277	5.0
393.07660	3.4
395.08932	1.4
410.10364	2.0
411.08652	8.3
414.07098	1.4
423.08902	2.9
423.14029	1.2
426.09766	5.7
427.08185	1.0
428.11395	8.0
438.81036	1.0
441.09647	1.7
454.09119	3.6
456.10715	2.0
468.15033	1.0
469.15204	3.8
484.10324	100.0
484.17447	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40925	3.0
55.28856	3.7
58.91876	4.5
69.34818	3.4
86.63253	4.1
91.05473	5.8
93.00352	3.9
119.04906	4.0
133.66203	4.1
137.05911	3.6
149.05945	18.5
169.88150	4.0
174.05409	4.7
192.55977	4.0
292.09744	9.0
305.06967	15.5
320.09164	88.4
321.09570	94.4
334.10736	19.9
336.12317	59.0
337.12689	4.9
338.10181	80.5
338.13879	20.9
347.07867	8.2
361.09451	4.7
362.10379	4.3
366.09659	100.0
408.10651	6.4
409.11581	44.5
422.12183	30.2
426.01050	4.2
434.08408	19.4
440.13449	76.9
452.13382	5.4
466.11380	80.1
484.12909	31.9
484.18085	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55170	0.8
65.84570	0.9
85.79976	1.0
86.75583	1.0
99.86375	0.9
103.87414	1.0
120.46371	1.1
137.05980	2.0
180.66875	1.2
224.07069	22.7
225.07834	40.0
228.06538	1.7
239.09480	4.4
254.08070	6.4
257.06812	28.1
265.07294	1.4
266.08044	1.1
278.08081	4.9
282.07419	4.3
282.11084	1.8
284.09488	1.2
293.09222	2.1
294.10187	1.5
295.08246	2.2
296.05521	100.0
298.07211	2.4
298.10812	1.4
303.11310	2.5
309.08710	20.9
310.10739	19.8
319.10748	4.0
321.08881	1.7
322.07016	2.1
322.12689	1.5
323.10178	14.2
324.11133	12.6
337.11871	4.2
346.09592	1.9
347.10303	5.1
353.11191	5.0
354.09659	11.3
364.13089	1.8
373.08206	1.6
379.12653	4.5
380.12234	1.5
381.13162	6.8
396.15530	7.2
405.10675	1.7
422.13553	4.7
423.12094	1.2
440.14496	20.1
465.93930	1.2
484.13144	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07141	0.1
58.63979	0.1
64.93857	0.2
77.68953	0.1
79.28578	0.1
83.63390	0.2
101.22005	0.2
137.02554	0.2
236.59718	0.2
240.06168	0.2
262.08453	0.2
290.07993	0.7
292.09653	5.0
308.09082	0.3
318.07635	0.7
319.08200	0.2
320.09167	100.0
355.42133	0.2
484.13943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29336	0.2
55.62031	0.2
67.29392	0.3
89.43658	0.2
98.02040	0.2
104.27035	0.3
110.21344	0.3
121.45805	0.3
128.88147	0.2
162.19370	0.2
174.05402	0.3
209.04424	0.4
238.19482	0.3
282.76892	0.3
285.86554	0.3
290.08063	0.6
292.09668	4.6
318.07513	0.6
320.09164	100.0
386.22247	0.3
404.52545	0.3
484.13870	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26051	0.1
57.62695	0.1
66.19411	0.1
82.94064	0.2
92.19559	0.2
93.58204	0.2
96.46452	0.2
96.47160	0.2
211.00322	0.2
307.04749	0.5
307.08374	28.4
322.10724	100.0
441.22696	0.2
466.43240	0.2
484.16046	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29648	0.8
59.17223	0.9
67.05505	1.3
89.59641	0.9
92.21584	1.1
99.04439	2.1
100.04733	1.3
107.32758	1.0
112.84183	1.1
121.06490	2.1
121.19846	1.1
123.98022	1.1
173.28505	1.0
220.15984	1.1
239.16249	1.2
258.14255	1.4
260.59674	1.2
284.09152	2.1
296.09222	5.2
309.09897	2.6
310.07080	2.3
310.10538	2.2
320.09204	2.5
322.07034	1.1
322.10651	1.4
325.09479	1.5
326.10257	5.3
339.07312	5.2
340.08136	72.9
340.11707	5.3
346.19302	1.1
350.10287	2.2
354.09698	21.9
355.10483	36.7
362.13818	1.2
371.24051	1.1
396.10803	1.9
431.54410	1.2
484.15927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75307	0.3
77.45541	0.3
212.68961	0.4
262.92752	0.4
307.08371	66.9
322.10718	100.0
323.11520	0.5
463.34186	0.4
474.95798	0.5
484.16071	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	0.6
61.00955	0.2
70.06558	0.4
74.36221	0.3
76.22643	0.3
107.27455	0.3
123.33628	0.3
139.35747	0.3
141.95358	0.3
255.55045	0.4
307.08374	22.7
322.10739	100.0
425.00330	0.4
448.54752	0.3
484.16049	16.5
484.23001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18634	0.2
55.01858	0.2
56.27451	0.2
57.07037	0.2
81.07042	0.4
83.04909	0.2
84.01839	0.2
85.02859	1.2
92.20976	0.2
97.02870	0.4
97.10130	0.3
99.04412	1.2
102.47936	0.2
107.08569	0.3
111.04358	0.2
121.06487	0.4
125.09622	5.0
127.03913	0.3
127.07559	0.7
131.06894	0.2
143.10622	1.0
145.02846	0.9
175.03941	0.2
177.05473	5.3
183.06497	0.4
195.06644	0.2
207.06462	0.4
229.07111	1.5
232.09450	0.3
275.09149	0.3
279.08783	1.7
287.14862	0.3
294.11172	1.3
305.15973	1.2
307.08362	14.1
310.06833	0.2
322.10718	100.0
404.39667	0.2
449.14526	0.4
466.16003	0.2
484.16022	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22351	0.1
51.28662	0.1
74.53346	0.1
99.23720	0.1
112.93833	0.1
174.07526	0.1
174.16972	0.1
224.56882	0.1
248.67065	0.1
275.89645	0.1
279.08865	0.3
307.08368	27.9
322.10715	100.0
352.10983	0.1
484.16040	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63715	0.2
101.09497	0.2
188.54610	0.2
279.08960	0.3
306.07565	0.3
307.08356	25.1
308.09180	0.4
322.10721	100.0
443.91638	0.3
484.16104	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14473	0.2
56.76749	0.2
57.62926	0.2
61.32070	0.2
93.14154	0.3
122.23958	0.2
194.53564	0.2
227.79791	0.2
279.09000	0.3
306.07642	0.3
307.08368	45.1
308.09140	0.3
321.09949	0.3
322.10721	100.0
392.14648	0.2
484.16098	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01321	0.3
51.15506	0.4
51.71324	0.4
52.76615	0.3
58.06585	2.0
61.51510	0.4
62.71407	0.4
63.12572	0.4
63.25097	0.3
92.20981	0.5
123.29815	0.5
132.72862	0.4
170.90273	0.6
276.43607	0.5
307.08359	17.2
319.08334	0.8
322.10718	100.0
334.10745	2.6
341.16064	0.6
484.16037	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
80.77328	0.3
103.55405	0.3
114.71640	0.3
116.80135	0.3
233.74161	0.3
234.38307	0.3
245.84656	0.2
270.01587	0.3
307.08380	71.2
319.99954	0.3
322.10736	100.0
354.57788	0.3
484.16083	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01321	0.3
51.15506	0.4
51.71324	0.4
52.76615	0.3
58.06585	2.0
61.51510	0.4
62.71407	0.4
63.12572	0.4
63.25097	0.3
92.20981	0.5
123.29815	0.5
132.72862	0.4
170.90273	0.6
276.43607	0.5
307.08359	17.2
319.08334	0.8
322.10718	100.0
334.10745	2.6
341.16064	0.6
484.16037	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99827	0.2
56.38918	0.2
59.06970	0.2
71.78999	0.2
80.29188	0.2
82.90495	0.2
93.57842	0.2
95.64757	0.2
154.29466	0.2
157.91470	0.2
253.78696	0.2
278.08090	0.4
279.09048	0.3
306.07767	0.2
307.08368	62.2
308.09003	0.3
315.33121	0.2
320.09286	0.3
321.09921	1.4
322.10718	100.0
348.74121	0.3
484.16080	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	0.4
84.08120	0.8
128.56277	0.4
132.08060	1.8
148.78831	0.4
164.07037	0.7
235.38527	0.4
256.67380	0.5
307.08389	75.7
322.10742	100.0
484.16068	42.7
484.26175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93253	0.3
75.75311	0.3
86.22659	0.3
118.88874	0.3
298.53586	0.3
307.08389	21.3
322.10721	100.0
366.72443	0.3
484.16049	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97904	0.2
59.45341	0.1
67.87655	0.2
68.41342	0.1
81.54838	0.2
83.32496	0.2
152.62311	0.2
185.70531	0.1
279.09027	0.2
306.07651	0.3
307.08365	41.1
322.10718	100.0
396.01605	0.2
484.16119	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55736	0.2
54.03624	0.1
63.12047	0.2
88.42461	0.2
92.20985	0.3
106.04322	0.2
151.54660	0.2
201.39224	0.2
228.57758	0.2
231.43080	0.2
236.59377	0.2
260.91321	0.2
307.08383	20.7
316.18967	0.2
322.10739	100.0
484.16000	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92374	0.5
70.36291	0.3
79.13889	0.4
89.25932	0.4
92.21600	0.5
94.74734	0.5
97.85695	0.4
119.95531	0.5
131.70395	0.4
133.19052	0.5
139.67073	0.4
140.86633	0.4
162.44179	0.4
242.34239	0.4
276.06372	0.9
290.08087	9.6
302.08109	2.8
304.05969	9.2
318.07565	13.8
319.08374	53.5
322.07065	0.8
334.10718	100.0
448.27151	0.5
472.90015	0.5
484.17816	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60769	0.4
52.84420	0.4
82.13851	0.5
85.77412	0.4
90.42133	0.5
140.41479	0.5
276.06299	0.5
290.08105	9.7
302.08136	2.3
304.05988	8.9
318.07617	11.6
319.08401	45.4
320.09149	1.8
334.10730	100.0
440.11780	0.5
472.18735	0.6
484.10712	1.5
484.17673	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69646	0.7
62.14627	0.6
101.72239	0.7
103.61660	0.8
106.14809	0.8
115.76608	0.9
193.37772	0.7
193.97899	0.7
204.15747	0.7
290.08163	0.8
307.08234	0.9
318.07523	1.1
319.08310	4.3
320.08994	5.5
321.09464	1.6
334.10757	13.0
336.12027	3.0
411.10760	1.1
423.14615	1.3
425.12463	5.7
426.13272	6.7
440.14935	30.6
452.14819	10.0
453.11957	4.8
454.06851	1.3
454.12860	34.4
468.07623	1.4
468.14401	43.9
469.15225	35.1
484.17368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92998	0.4
67.05450	0.6
81.07041	0.7
93.06901	0.5
95.04913	0.7
95.08569	0.5
99.04427	0.5
107.04928	0.5
131.08476	0.5
167.50508	0.5
201.25389	0.4
218.99393	0.6
292.09662	14.3
304.09735	2.0
306.07571	4.6
307.08197	0.6
318.07419	0.5
319.08438	2.2
320.09140	13.8
321.09937	29.0
323.11472	0.8
334.10745	3.1
336.12280	100.0
337.12665	1.0
338.13831	3.3
361.09570	0.7
367.04684	0.6
376.11703	5.3
409.13254	0.7
410.13843	2.9
422.13586	0.8
424.15689	7.5
436.15421	2.3
438.13467	3.1
438.22318	0.6
439.13913	1.2
452.15109	1.0
453.15710	3.1
454.16571	3.4
484.17609	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60769	0.4
52.84420	0.4
82.13851	0.5
85.77412	0.4
90.42133	0.5
140.41479	0.5
276.06299	0.5
290.08105	9.7
302.08136	2.3
304.05988	8.9
318.07617	11.6
319.08401	45.4
320.09149	1.8
334.10730	100.0
440.11780	0.5
472.18735	0.6
484.10712	1.5
484.17673	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13927	0.4
53.03949	0.6
61.02932	0.7
69.03445	4.5
71.04990	0.6
71.08681	0.5
73.17976	0.5
81.03431	5.7
85.02912	7.6
88.11247	0.8
93.60671	0.5
97.02894	3.7
99.04459	27.6
109.02904	2.5
127.03940	2.8
137.06018	3.0
142.06541	3.2
144.08076	0.7
158.05931	0.6
160.07581	11.3
161.06029	2.6
163.07591	2.4
164.07053	100.0
165.05470	0.9
178.08664	1.2
189.05482	2.0
195.06580	4.0
206.08182	1.3
219.78827	0.6
224.09181	18.7
257.73651	0.6
308.18539	0.7
309.09271	0.6
322.12823	2.8
419.00861	0.6
424.15860	7.7
453.27673	0.6
484.18164	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
57.24516	0.7
61.02922	1.2
69.03430	11.7
73.02923	1.2
73.88953	0.8
74.06055	0.9
81.03435	5.7
85.02911	26.7
87.04450	0.9
94.54144	0.9
97.02900	7.8
99.04482	3.6
105.31807	0.9
109.02888	6.4
113.02362	14.5
123.04453	7.9
126.05569	1.1
127.03909	16.7
129.07027	1.2
137.05977	1.4
143.30800	0.9
145.05014	4.3
147.08012	1.3
157.06519	1.6
165.09120	2.0
167.07207	1.1
175.07532	25.6
177.07869	1.0
190.08606	1.1
192.10201	44.5
193.08615	24.0
193.10246	1.4
194.56938	0.8
210.11252	84.1
334.27704	1.1
343.27438	0.9
344.16397	0.9
484.18152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
56.07675	0.6
57.03438	0.9
64.26089	0.6
67.14141	0.6
69.03437	4.3
73.02884	1.0
81.03410	3.2
84.04515	4.6
84.08138	0.9
85.02915	8.0
87.04500	1.1
92.50859	0.7
97.02882	4.2
99.04461	18.7
109.02887	1.2
110.70075	0.8
120.08110	1.1
121.77431	0.8
125.06024	1.0
126.05505	5.6
127.03915	1.7
127.05853	1.4
137.05992	3.1
141.42897	0.7
142.06532	5.4
144.08101	1.2
145.06485	0.9
160.07571	13.3
161.05948	1.3
161.37959	0.8
164.07063	100.0
166.08636	1.0
167.07133	0.9
175.08629	0.7
176.09045	0.9
177.05467	0.9
178.08649	3.6
189.05508	4.2
191.09456	0.9
200.07104	1.1
201.07458	1.5
206.08183	3.1
221.33234	0.9
224.09172	13.3
227.60532	0.7
263.10300	1.1
264.10733	1.0
280.13068	2.7
280.48413	0.9
281.13293	3.1
322.12790	6.7
385.17773	0.8
386.48364	0.8
394.10007	0.8
424.15985	15.1
483.40344	0.8
484.18112	44.4
491.53616	0.8
509.14011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93521	0.4
58.06604	0.6
63.42605	0.5
69.03419	0.6
70.06609	0.6
71.02988	0.4
79.39635	0.4
97.02863	0.5
99.04459	6.2
104.07101	0.6
128.07016	0.7
137.05997	0.8
152.07005	0.7
164.07053	100.0
178.08595	3.9
206.08113	0.8
220.09569	0.8
224.09131	2.4
238.10809	0.9
285.86874	0.5
296.05392	0.6
340.07950	0.8
386.13815	0.6
424.16006	17.5
484.12308	1.9
484.17880	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62247	2.0
68.73779	2.1
73.00191	1.8
81.07077	2.8
83.04958	10.5
110.92593	2.1
174.05458	2.4
179.80217	2.3
290.08127	2.6
304.05954	3.5
306.07529	3.0
307.08545	2.7
319.08350	25.7
320.09274	21.7
321.09546	2.8
334.06906	3.0
334.10770	64.3
336.12427	5.5
342.11359	7.9
349.08954	2.4
356.09125	11.2
360.12579	2.9
370.10654	29.0
371.11411	19.7
386.13898	32.0
440.18906	3.0
484.10974	4.5
484.14026	5.5
484.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02529	0.5
59.30869	0.5
67.05511	1.1
68.93414	0.6
73.02920	4.1
76.17919	0.5
81.07019	0.8
83.08611	1.1
97.10155	0.7
119.83368	0.6
125.09698	0.7
178.71568	0.7
258.54343	0.6
290.08170	6.6
302.08163	1.1
304.06036	5.2
318.07690	10.2
319.04623	1.0
319.08408	45.3
320.09174	5.3
334.10742	100.0
336.12457	1.1
337.12473	1.1
358.10812	1.4
359.11386	1.1
371.11661	6.7
374.13812	3.3
400.11755	5.7
468.18137	3.0
484.21646	51.1
484.28748	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08358	0.7
55.05519	1.1
58.06612	0.8
63.99548	0.8
76.35419	0.7
83.04980	12.3
90.45181	0.7
98.09677	0.9
108.64613	0.7
124.31609	0.8
124.87813	0.8
129.38884	0.8
174.05531	4.6
185.42076	0.9
263.79059	1.0
281.04462	1.4
290.08054	3.2
292.09692	1.4
303.66235	1.0
304.06024	4.9
318.07520	6.5
319.08331	24.4
320.09094	21.9
321.09756	1.8
334.10724	53.0
335.10922	6.3
336.12393	5.0
342.11218	12.1
345.09695	1.1
354.11057	3.0
355.12033	2.0
356.09171	12.7
360.12402	6.2
370.10693	35.0
371.11465	22.0
372.12482	1.8
385.13113	1.0
386.13885	37.5
387.14920	1.2
410.06281	1.3
424.08118	3.8
425.08691	3.6
438.06052	1.3
454.16397	4.6
468.18024	3.4
484.10742	13.3
484.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03446	1.8
58.06607	16.9
58.55409	0.6
59.07381	5.3
60.08172	5.7
67.05500	5.2
69.07059	1.3
74.06046	0.8
75.04474	1.1
77.32555	0.8
79.05495	1.5
79.42007	0.8
81.07064	4.8
83.08630	0.8
85.02901	1.0
85.99961	0.7
86.22105	0.7
87.04456	1.5
93.07043	2.8
94.40990	0.7
95.08601	4.2
97.10217	0.7
109.10148	3.1
131.07002	1.1
135.11726	0.9
144.10170	8.4
162.11264	1.0
207.60815	0.9
218.13847	1.0
236.14922	100.0
240.45691	0.8
261.70871	1.0
298.10168	0.8
301.69769	0.7
319.29446	0.8
347.51083	0.8
365.44833	0.8
385.36508	0.8
466.35626	6.7
484.36325	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02151	1.0
61.59862	0.8
84.68004	1.2
99.89964	1.3
121.06511	19.9
139.04419	1.1
165.05389	1.2
174.05562	1.6
174.79691	1.0
192.06567	8.4
262.08722	1.9
268.63181	1.2
276.06824	1.4
278.08298	1.4
290.04797	1.8
290.08182	5.0
291.08890	16.5
292.06177	1.3
292.09668	4.0
305.06754	8.6
306.07550	12.0
307.08441	12.8
318.04077	12.0
319.08340	2.5
320.09238	4.1
322.10693	25.0
333.06256	28.1
334.07190	4.0
334.10889	4.3
348.08658	35.0
364.70660	1.2
365.11536	8.0
485.17245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1918
Annotation	Naucleofficine C
Peak:m/z	Relative Intensity
54.96647	0.9
57.01805	1.0
58.06595	2.7
70.06592	1.4
77.58363	1.2
80.10293	1.0
83.81659	1.1
85.02888	2.5
92.73830	1.2
99.04460	2.2
107.04950	8.4
121.06522	2.1
124.88873	1.1
130.06485	1.7
136.07568	1.5
144.08081	30.7
146.06023	2.7
147.04492	1.2
156.08075	11.4
164.07133	1.3
167.07260	5.1
180.06564	11.0
188.07114	2.3
200.07056	1.2
202.08574	9.9
207.06508	1.8
246.09088	2.9
247.09938	1.5
250.12216	11.4
260.10666	47.5
262.12253	1.4
288.10214	2.0
306.11188	13.0
307.05045	2.2
307.08337	29.3
307.11624	1.8
308.08694	76.7
322.10706	34.5
323.10904	100.0
323.14029	13.8
412.17905	2.3
468.16382	5.3
485.15921	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55947	0.3
58.38582	0.3
69.03403	1.5
73.02883	0.4
81.03397	0.4
85.02907	4.3
91.05494	0.3
97.02876	1.3
103.98663	0.3
107.04948	15.4
110.72070	0.4
110.89073	0.4
118.06496	1.7
119.04927	0.8
121.02855	1.3
121.06455	1.3
122.06025	5.0
122.27637	0.4
127.03891	0.6
129.06978	1.3
130.06517	6.7
131.04871	0.6
132.08089	2.7
133.06480	0.5
134.06007	6.2
136.07591	6.9
141.77116	0.3
143.07314	0.5
144.08076	59.9
145.06430	1.9
146.05998	8.7
148.07549	2.3
154.06592	0.3
156.08076	24.0
158.09578	3.0
160.07565	4.7
167.05775	0.5
167.07271	13.3
168.08066	3.3
173.10677	2.8
180.06543	24.0
184.07524	0.7
188.07030	6.8
194.08078	1.7
200.07083	3.3
202.08620	22.5
203.08145	0.5
212.07008	1.2
230.09721	0.6
232.11092	0.4
235.09790	0.7
236.10597	2.9
242.09567	0.7
246.06761	0.3
246.09091	14.2
247.09929	3.0
248.10646	4.8
250.12239	27.9
260.10672	100.0
262.12234	4.9
264.10083	0.8
278.11856	0.4
288.10117	6.4
306.11206	34.5
323.13879	61.7
352.31619	0.3
380.77292	0.4
390.47403	0.3
391.32498	0.3
412.17477	8.0
468.16486	12.5
485.19165	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28759	2.8
52.73139	3.1
55.05516	6.0
57.03434	3.5
59.28865	3.8
60.83954	2.9
61.02928	6.3
65.40393	3.0
67.05501	15.4
69.03413	4.1
69.07051	5.2
71.04994	5.4
73.02905	3.6
73.85420	3.6
79.05503	29.4
81.03399	3.7
81.07070	19.8
83.08604	5.8
85.02899	7.9
85.06565	4.4
91.05474	23.5
93.07049	30.1
95.08604	23.0
97.02899	5.9
97.06567	4.8
99.24233	3.3
105.07009	26.6
107.08624	25.2
109.10156	15.0
111.08105	3.7
113.76612	3.5
117.07040	8.3
119.08552	36.6
121.10132	25.3
122.43041	3.7
123.08031	6.8
129.07047	5.2
131.08565	17.8
133.10143	60.1
135.11674	16.3
143.08566	6.1
145.10135	30.9
147.11687	46.9
149.09615	6.1
157.10126	20.7
159.11664	17.3
171.11723	24.8
175.11234	6.2
185.13306	5.0
187.14838	5.2
189.16418	6.3
203.18008	8.2
213.16313	34.7
231.17430	50.6
266.18741	3.6
269.79480	3.6
323.22177	100.0
336.12289	7.2
337.12646	5.0
338.13187	5.0
339.13370	5.0
431.24643	4.5
449.25797	5.0
467.26456	15.4
469.14420	5.1
485.17358	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	3.5
55.20379	2.9
55.80333	2.7
57.03444	4.3
61.02918	7.8
61.70886	2.7
67.05505	14.5
69.03459	3.5
69.07069	14.2
70.67909	3.0
73.02927	6.9
79.05483	26.6
81.07052	24.7
81.10961	3.1
83.08609	5.3
85.02895	15.2
85.06518	4.6
91.03943	3.9
91.05476	27.3
93.07034	30.5
95.08611	22.8
97.02879	17.2
97.06519	5.2
105.07021	44.5
107.08583	33.1
109.06509	5.9
109.10155	6.3
117.07004	6.0
119.08565	47.5
121.06497	6.3
121.10146	34.1
123.08082	4.8
129.06964	5.2
131.08553	24.2
133.10124	76.9
135.08072	5.1
135.11697	20.8
143.08557	7.4
145.10106	30.1
147.08017	4.7
147.11667	59.3
149.13275	4.0
157.10143	24.0
159.11676	19.4
161.09607	8.1
161.13245	7.1
163.11227	4.1
169.10139	6.6
171.11662	39.5
173.13260	4.3
189.16396	13.9
203.14372	4.7
203.17961	16.6
213.16371	37.9
227.17729	5.1
231.17375	53.8
246.84354	4.3
307.07837	4.6
321.09766	4.7
322.10233	5.1
323.22134	100.0
336.12164	6.9
337.12750	6.5
338.12970	4.7
411.86111	4.2
413.22845	4.5
431.23828	5.1
457.16629	12.8
467.26514	15.1
469.99362	4.4
485.16898	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
57.03445	8.0
57.06822	1.7
57.07084	30.3
67.05521	7.8
69.07083	9.2
69.07389	1.1
71.08634	24.1
81.07069	9.8
83.05004	1.1
83.08624	11.6
85.10184	16.0
88.07644	1.0
89.06048	1.8
93.07042	1.6
95.08607	18.8
97.10170	6.1
98.98458	4.3
107.08551	1.6
109.10147	9.4
119.08580	1.2
123.11694	4.4
145.84953	1.0
170.11778	7.5
188.12813	1.7
221.59221	1.2
250.35355	1.0
256.26321	5.6
257.24884	1.3
298.27557	1.8
313.27371	100.0
409.09314	1.3
424.11957	5.3
427.09888	1.2
449.26974	1.5
452.11414	4.2
467.38626	11.8
470.12119	5.0
485.14731	17.8
485.39185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.82337	0.6
53.00319	1.0
55.05521	3.3
55.63424	0.6
57.03438	5.6
57.07084	28.3
59.43129	0.7
67.05508	5.9
69.07075	5.7
71.08631	20.7
79.69660	0.6
81.07066	8.2
83.08630	7.7
85.10191	15.5
86.13918	0.7
89.06042	0.8
95.08603	15.4
97.10163	3.5
98.98466	19.6
99.04453	4.3
103.70084	0.7
109.10156	7.9
123.11709	1.8
133.10114	1.7
151.11243	0.9
155.01036	14.0
173.02115	1.7
223.13234	1.0
239.23730	1.6
240.15875	5.8
257.24606	1.1
257.62778	0.8
313.27359	100.0
393.23840	4.0
449.26617	11.9
485.39557	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2872
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.74767	0.6
51.70314	0.6
53.00315	0.9
55.05515	2.9
57.03438	6.2
57.07080	29.2
57.74343	0.6
67.05511	5.1
67.57175	0.6
69.07073	5.4
71.08630	24.8
81.07063	10.8
83.08634	7.4
85.10185	14.6
88.95019	0.6
89.06019	0.7
90.85258	0.7
95.08599	13.2
97.10179	4.5
98.98471	17.6
103.07619	1.0
109.10161	8.6
113.28524	0.6
123.11710	3.0
137.00023	0.7
137.13336	0.6
155.01036	13.0
173.02089	3.9
188.85086	0.7
229.04828	0.7
239.23692	0.7
257.24652	0.7
264.05051	0.6
313.27356	100.0
373.46640	0.7
393.23962	3.0
449.26685	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93378	0.4
53.00324	0.8
55.05513	3.5
57.03441	6.0
57.07082	30.1
67.05518	4.0
69.07064	4.7
71.08633	24.2
73.20205	0.6
81.07058	7.4
83.08631	8.3
85.10184	16.5
89.06019	1.0
95.08602	12.3
97.10171	3.4
98.98465	19.4
99.11677	0.7
103.07578	1.1
109.10165	8.0
123.11700	3.3
127.37592	0.6
149.97809	0.5
155.01042	15.2
162.92889	0.6
173.02109	2.5
239.23668	1.0
247.05757	2.1
257.24652	0.7
313.27359	100.0
393.23892	3.0
399.50616	0.6
449.26553	13.2
485.39218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.03433	6.0
57.07081	34.2
67.05511	5.0
69.07060	5.0
71.08632	25.3
76.11640	0.5
81.07069	8.9
83.08607	6.5
85.10184	15.5
86.25896	0.5
91.98796	0.7
92.21522	1.1
95.08604	13.7
97.10161	3.5
98.98466	18.8
99.74550	0.6
103.07576	1.3
104.81815	0.6
109.10161	7.8
110.84527	0.7
123.11695	3.0
155.01031	13.4
173.02122	3.7
239.23671	1.5
247.05879	0.7
257.24716	0.6
291.59207	0.6
313.27344	100.0
336.12494	0.8
393.23883	3.2
449.26587	12.0
467.27405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
57.03442	5.9
57.07082	29.0
61.01908	0.5
67.05517	5.1
69.07069	5.0
69.10726	0.5
71.08633	26.4
81.07066	6.7
83.08616	8.1
85.10188	14.4
89.06008	0.6
95.08599	15.7
97.10168	4.5
98.98463	17.5
109.10167	6.5
123.11696	2.9
137.13249	1.3
151.14786	0.6
155.01048	15.9
173.02069	3.3
229.04828	0.7
239.23538	0.9
248.15425	0.7
254.60248	0.6
313.27344	100.0
384.90201	0.6
393.23965	2.9
417.57101	0.7
449.26614	13.8
449.32294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.03450	9.9
57.06826	1.8
57.07080	35.6
67.05514	6.4
69.07064	8.2
71.08639	30.5
71.15421	1.2
74.63656	1.3
81.07060	12.8
83.08615	7.9
83.19868	1.4
85.10184	19.6
89.06019	2.5
91.34916	1.2
95.08611	18.5
97.06514	1.4
97.10161	5.0
98.98487	6.0
103.07586	2.5
109.10135	11.3
112.00941	1.2
119.49091	1.3
123.11724	2.9
155.00995	1.8
177.06076	1.3
179.14346	1.4
269.85440	1.4
286.02484	1.3
296.00513	1.3
313.27359	100.0
422.16650	1.3
449.26678	2.0
467.38385	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.33408	0.4
56.89437	0.4
57.03458	0.4
57.07087	0.9
63.97265	0.4
66.37961	0.5
67.05518	1.0
69.03444	0.5
69.07063	1.0
71.08595	0.5
71.74560	0.4
79.05502	0.6
81.03424	0.8
81.07061	2.2
83.04981	0.7
83.08578	0.5
84.87896	0.5
85.02913	0.6
85.06551	0.7
91.05489	31.1
93.07076	0.9
95.08633	1.1
99.04491	0.6
104.06242	0.9
105.07037	6.6
107.08602	0.9
109.10159	0.7
111.08091	2.1
121.10199	0.5
123.08102	0.8
131.08578	0.7
133.10136	100.0
147.08080	3.5
149.09660	3.6
151.11293	0.7
159.11726	0.6
165.09254	0.5
171.10202	1.0
189.11272	0.7
256.14099	0.7
286.17361	0.5
290.26941	0.5
317.18262	0.5
329.17551	1.1
330.17743	2.7
351.26968	0.5
424.83795	0.6
436.16940	0.5
468.28488	0.5
485.29010	2.4
485.36115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2897
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.58815	2.4
53.03951	3.8
55.01884	3.3
55.05523	4.0
57.03418	2.7
57.07048	2.9
57.55361	2.2
64.18172	2.9
66.88177	2.1
67.05509	6.5
69.03420	2.6
69.07082	5.9
79.05502	6.4
81.03429	16.5
81.07064	22.5
83.04996	3.2
83.08639	3.6
86.09721	3.6
91.05481	16.8
93.07037	15.1
95.04962	3.2
95.08614	16.6
96.40462	2.7
97.02940	2.6
99.04440	31.9
105.07030	15.1
107.08595	6.6
109.06490	2.9
109.10175	10.0
111.04452	10.5
117.06981	10.2
119.08580	11.6
121.06477	5.4
121.10174	6.8
123.53535	2.5
123.94893	2.6
131.08533	6.4
132.94881	2.7
133.10101	24.3
141.05461	3.5
143.08554	11.5
145.06537	3.4
145.10098	12.5
147.11636	4.5
153.41115	2.7
155.08508	3.2
157.10115	4.5
159.11777	9.9
164.77138	3.2
167.08559	3.9
169.10114	10.1
171.08008	2.9
171.11694	6.6
173.13275	6.4
181.10114	2.7
185.13309	3.4
193.10036	3.5
196.96187	2.9
197.13318	3.4
211.14636	3.7
299.20200	4.0
323.23779	3.5
341.24539	4.6
351.23114	14.9
366.34207	3.3
369.24243	23.9
387.25314	11.5
467.27933	18.2
485.28830	100.0
485.47745	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79272	3.6
53.50095	3.8
56.71899	4.0
56.84597	3.7
75.25402	4.4
75.27123	3.9
105.17807	5.0
177.06918	4.7
214.86633	4.4
338.66202	5.7
435.26651	5.1
461.44241	4.8
485.35938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09904	4.2
56.00548	4.7
63.61844	4.3
67.01216	5.1
82.60994	4.7
97.34061	4.9
105.88272	5.0
125.80453	7.0
251.98680	5.8
279.39960	5.9
339.15027	6.2
472.67859	6.0
485.36005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.36
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91857	1.3
103.16316	1.4
108.22096	1.4
127.25953	1.5
168.57700	2.1
206.77736	1.6
271.20285	1.7
345.44833	1.8
444.23004	1.9
485.36014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38115	1.2
53.00304	1.7
53.96548	1.4
55.03413	1.5
55.05505	9.3
57.03454	12.7
57.06820	2.6
57.07084	49.4
57.56059	1.7
63.66649	1.8
66.88509	1.9
67.05503	12.5
69.07069	17.9
71.02391	1.5
71.08347	1.7
71.08639	29.6
71.11177	1.6
71.79730	1.5
74.90150	1.4
79.05485	7.3
81.07047	23.2
83.08616	13.8
85.06528	3.3
85.10189	15.3
91.05481	2.1
93.07033	9.9
95.08604	33.5
95.45931	1.6
97.10155	8.8
98.98469	2.4
105.07040	11.1
107.08595	15.6
109.06474	2.9
109.10140	18.1
117.06960	1.6
118.79831	1.6
119.08575	14.4
121.10126	10.2
123.08080	2.3
123.11689	7.7
125.09651	2.4
131.08559	2.9
132.26683	1.7
133.10117	15.5
135.11711	3.5
137.13309	2.0
138.94240	1.7
143.08574	3.0
145.10132	9.6
147.11674	2.8
152.06866	2.0
155.00943	2.1
156.09384	2.0
157.10092	3.5
159.11681	11.0
161.13252	6.5
170.11783	2.2
171.11661	9.3
173.13248	3.2
175.14796	2.7
185.13275	4.1
186.97395	1.7
197.13264	2.0
199.14856	8.2
201.16367	2.1
209.13220	2.9
211.14769	2.0
256.26318	3.0
290.95526	2.0
298.45383	1.6
313.27347	100.0
369.02054	2.0
449.34012	1.7
467.35065	7.9
485.36069	31.1
486.15155	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15530	1.3
53.00313	1.3
53.90764	1.1
55.05518	14.3
57.03448	13.3
57.07087	61.9
58.06609	1.7
67.05517	27.3
69.07073	32.1
71.05029	1.3
71.08633	46.8
77.93980	1.2
79.05492	9.9
80.39671	1.2
81.06613	2.3
81.07069	46.6
81.07545	2.1
83.08630	37.7
85.06538	2.6
85.10194	26.1
89.06044	1.8
89.45740	1.2
91.05463	6.5
93.07028	12.3
95.08607	47.6
97.06534	2.8
97.10172	32.1
98.98469	5.4
99.08113	1.7
100.07624	2.8
102.09144	1.5
103.07604	1.6
105.07034	5.5
107.08607	27.0
109.10162	31.7
109.15564	1.2
111.08085	5.4
111.11728	8.3
114.09165	2.2
119.08561	7.4
121.10166	12.0
121.11033	1.2
123.11697	17.8
124.11240	6.8
125.09617	19.2
128.10802	1.5
133.10158	11.1
135.08102	14.6
135.11711	7.6
137.09598	3.1
137.13246	3.1
139.11171	2.2
141.12738	6.9
142.12297	11.8
142.13301	1.4
147.11778	9.4
149.13278	7.3
151.11186	3.2
151.14729	1.6
152.10735	2.9
153.09158	9.5
155.01057	3.0
161.13287	6.1
163.14865	1.8
167.10684	2.0
170.10287	3.0
170.11761	83.6
172.13342	1.9
175.14806	3.3
179.14276	1.9
179.17941	1.3
187.13385	1.9
188.12781	15.2
195.20166	1.5
212.97266	1.5
219.21004	1.7
245.22592	10.7
256.26291	17.3
257.24750	1.8
263.23624	12.2
280.26331	26.1
281.24655	5.2
287.62460	1.4
296.25787	2.7
298.27417	52.8
298.30643	2.8
299.25815	8.9
313.27374	100.0
362.64722	1.4
417.87939	1.4
467.32196	1.8
467.38458	40.2
485.33377	3.2
485.39551	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	1.0
55.05508	9.3
57.03440	10.0
57.07085	40.1
67.05513	16.7
69.07071	13.9
71.05009	1.1
71.08635	31.3
79.05518	3.3
81.07062	24.3
82.43282	1.1
83.08627	24.7
85.06559	1.6
85.10182	19.1
89.06034	1.5
91.05462	2.0
93.07036	7.0
95.08607	32.6
97.06536	1.5
97.10172	19.2
98.98465	4.4
105.07011	1.4
107.08608	12.5
109.10149	17.8
111.11761	2.4
114.09156	1.5
119.08553	2.0
121.10139	6.3
123.11729	10.2
124.11186	5.0
125.09635	9.2
128.10738	1.5
133.10121	5.3
135.08031	5.7
135.11745	3.9
137.13263	3.8
138.04727	1.0
142.12306	5.0
144.01434	1.1
147.11595	3.5
149.13231	1.8
151.11212	1.2
151.14795	1.3
152.10699	2.1
153.09091	6.1
155.01062	1.4
155.14297	3.8
161.13249	2.5
163.14761	1.3
166.14532	1.0
170.11754	40.9
172.13287	1.4
188.12831	9.5
239.23714	1.3
245.22684	4.0
256.26212	2.6
257.24704	2.2
263.23691	4.5
280.23688	1.1
280.26266	8.0
298.27295	12.7
313.27347	100.0
352.73306	1.3
385.26535	1.1
449.26566	1.9
467.38492	46.5
485.14966	1.4
485.38849	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03416	0.7
57.07075	4.9
58.59818	0.7
61.42395	0.7
67.05501	1.2
69.07072	1.7
70.06599	7.4
71.08627	3.1
79.05501	1.2
81.07053	2.7
83.08617	3.0
85.10178	0.8
85.49841	0.7
86.71214	0.6
88.07632	19.9
93.07059	1.7
95.08621	1.5
99.04473	1.2
102.09193	15.1
107.08591	2.9
109.10188	0.8
111.08130	0.9
149.13306	6.4
159.11713	1.4
166.15903	7.8
167.14297	1.5
184.17087	1.2
206.76591	0.7
212.16463	8.0
238.18057	4.4
256.19077	17.0
256.26328	100.0
270.24191	1.6
274.27405	6.0
398.16815	0.9
467.31281	1.1
485.43112	84.7
496.67413	0.8
508.32727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.02454	0.6
57.07079	3.7
67.05521	1.1
69.07083	1.3
70.06599	8.8
71.08640	1.4
81.07057	1.2
83.08647	3.1
88.07629	17.6
93.07050	1.0
95.08590	2.4
97.12226	0.7
99.95171	0.7
102.09180	13.3
105.24199	0.6
107.08620	0.9
122.47149	0.6
142.27327	0.7
149.13231	5.7
166.15897	5.8
167.14314	3.4
184.17015	1.1
212.16466	6.4
221.21652	0.6
238.18005	4.8
239.16379	0.8
256.19061	16.4
256.26334	100.0
274.27438	4.2
472.47699	1.0
485.26990	5.0
485.43137	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02746	1.0
58.06604	2.3
59.57814	1.2
72.04501	1.5
77.42581	1.2
83.04982	2.8
90.33752	1.1
99.15391	1.2
136.27829	1.4
158.82571	1.3
171.36882	1.4
190.04950	2.7
193.06221	1.2
235.61003	1.4
276.06329	1.3
278.08130	8.3
291.05322	1.7
291.08813	2.4
292.06067	1.5
300.06396	1.2
305.06821	5.6
306.07602	46.0
320.05539	4.9
320.09125	12.7
321.10016	10.7
334.07095	100.0
334.10648	7.9
336.08902	3.5
336.12311	8.5
349.09445	48.8
350.10190	7.0
387.14563	6.0
442.15320	1.6
444.84717	1.3
458.06619	1.4
486.11700	53.8
486.18497	3.6
486.23901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91017	1.0
58.06593	8.1
61.03872	1.3
63.23382	1.2
63.41835	1.2
82.10893	1.5
190.05011	28.9
200.29700	1.5
227.46855	1.5
319.08362	6.7
320.09280	2.4
321.10077	2.2
334.10632	14.5
335.07602	1.5
336.12292	16.8
356.08929	1.4
366.09747	17.5
368.09259	1.8
382.07233	2.1
384.08652	2.2
385.09677	2.4
396.08545	2.3
400.12131	3.2
410.06314	1.7
411.07138	2.3
412.08075	23.0
413.08826	2.0
414.09631	7.5
415.10535	14.5
426.09836	2.1
427.11417	13.8
428.07486	8.6
429.12234	2.0
440.07559	2.2
442.09229	27.3
443.10016	2.1
454.08609	2.1
456.11279	2.4
457.11646	20.9
458.12131	6.7
486.11710	100.0
486.23669	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17175	0.5
58.06573	2.3
64.24667	0.5
86.92988	0.5
89.37414	0.6
96.18847	0.5
101.55434	0.6
107.08633	0.7
172.02739	0.6
172.03912	9.9
190.04979	100.0
218.04404	6.3
269.07733	0.7
278.07944	0.6
290.11493	0.9
300.80032	0.6
307.08234	1.0
319.08047	3.3
320.09180	7.0
321.09457	0.8
334.10843	7.4
336.12012	1.1
433.55392	0.6
442.12659	1.2
448.96887	0.6
456.10812	1.1
468.10471	1.4
468.48834	0.7
470.11206	0.8
486.11264	30.5
486.22101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58967	1.0
58.06601	4.3
63.05163	0.9
64.62543	1.0
67.05501	1.2
68.47147	1.2
69.07073	1.0
84.18370	1.0
100.45031	1.0
107.47206	1.1
109.10183	1.7
154.91451	1.1
285.20090	1.0
290.08319	2.1
294.62921	1.2
306.07367	1.1
318.07779	1.6
319.08401	12.3
320.09155	14.7
321.09738	5.7
334.10724	23.6
335.11142	2.3
336.12262	15.4
358.07153	2.7
396.08524	2.3
400.08252	6.3
412.08099	46.8
426.09924	2.2
427.10742	8.6
428.07611	26.0
436.08151	4.2
442.09204	40.6
443.09705	4.9
452.11023	1.8
454.09033	5.6
457.11618	6.2
458.12320	15.4
486.11807	100.0
486.22336	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34391	0.4
60.86794	0.4
69.03423	0.4
69.12458	0.4
85.02884	2.7
88.78839	0.5
97.02914	0.8
121.46247	0.5
172.97197	0.5
192.06735	0.6
221.06346	0.6
278.08127	3.1
290.08304	0.5
292.09857	0.6
296.08896	0.6
296.38605	0.5
306.07547	3.0
307.08438	2.2
318.07657	0.6
319.08273	3.3
320.09204	12.5
321.09619	0.6
324.08649	100.0
334.07104	0.8
334.10614	5.2
336.12369	0.9
411.07083	0.8
428.07648	2.3
442.13116	2.0
454.09158	12.0
456.07059	2.9
470.09100	1.1
471.09164	0.5
486.10764	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05064	0.2
61.48087	0.3
64.04488	0.3
74.03969	0.4
81.40833	0.3
87.10182	0.3
136.54869	0.3
149.69893	0.3
149.93565	0.3
185.59735	0.3
191.28842	0.3
238.22211	0.4
262.49030	0.3
268.09613	2.0
278.07925	0.4
281.06888	0.5
290.08377	0.4
296.09192	41.5
319.08395	1.9
320.09180	0.7
322.07040	3.3
324.08661	100.0
334.10730	4.4
478.06622	0.4
486.14001	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84195	0.4
60.91316	0.4
62.45233	0.4
69.03425	1.1
81.03420	0.9
85.02895	5.0
97.02905	1.1
120.01099	0.6
126.62309	0.5
133.53088	0.5
216.96696	0.5
228.16289	0.6
278.08063	7.7
292.09805	0.9
304.09659	0.5
306.07590	12.5
307.08115	0.9
311.43323	0.6
320.09186	5.7
321.09814	2.5
324.08646	100.0
334.10410	0.7
336.12289	28.3
486.15399	10.5
490.70789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97199	0.4
72.79462	0.4
109.31696	0.4
119.20177	0.4
124.88766	0.4
140.65692	0.4
159.10445	0.4
160.28719	0.4
196.76752	0.5
208.37125	0.5
274.08597	0.6
278.08115	100.0
291.08826	2.0
292.09613	1.0
306.07605	13.8
307.08417	7.1
308.09222	0.8
318.07373	0.8
319.08310	1.0
320.08997	1.6
324.08862	0.7
324.12488	1.6
332.09012	0.6
334.07129	0.6
334.10751	2.6
371.05664	0.5
440.48630	0.5
453.12311	1.9
456.14569	0.7
468.14316	3.7
486.15576	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1545
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
50.62639	0.5
63.72266	0.6
137.05934	0.7
151.03886	0.7
241.28427	0.7
269.15137	0.7
278.08078	0.8
291.08926	4.3
303.06595	1.1
306.07608	9.1
307.08435	0.9
318.07584	0.9
320.09119	8.7
321.09882	0.8
323.07965	2.5
333.06354	6.6
334.07068	6.0
334.10837	3.3
336.08704	2.5
336.12366	1.1
346.07376	1.3
347.07727	0.8
348.08765	1.3
410.10306	4.3
412.11911	2.5
426.13187	1.4
428.11337	10.3
438.09613	0.7
440.11163	5.4
442.12805	13.7
454.12723	5.3
456.10727	24.7
457.12079	0.8
470.12387	12.7
471.13104	7.9
486.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1547
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
51.78534	0.7
57.07082	1.3
64.39030	0.8
82.70680	0.7
84.62463	0.8
93.90378	0.7
114.24857	0.8
116.24255	0.8
118.46131	0.7
161.88664	0.8
196.27463	0.8
254.41757	0.8
314.27646	1.0
316.09836	1.0
334.10699	2.9
344.09268	5.6
345.09973	4.8
372.08722	3.0
373.09442	67.5
374.10281	7.0
387.11221	1.6
401.08746	6.9
402.09760	47.1
402.15189	1.5
458.10388	0.9
458.15878	7.8
486.15491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33833	0.3
52.22117	0.3
53.82539	0.4
55.09938	0.4
64.53484	0.4
68.58549	0.4
89.32739	0.4
92.20985	0.7
122.73962	0.5
170.27919	0.4
205.31702	0.5
263.09317	0.6
278.08105	100.0
290.08157	1.1
291.08823	1.2
292.09738	0.9
296.69614	0.4
304.06052	0.7
306.07578	13.8
307.08328	8.4
308.09244	1.1
318.07529	1.6
319.08289	7.1
320.09131	2.0
322.10733	1.1
324.08807	0.6
324.12302	0.9
332.09000	0.7
334.10727	14.7
412.12238	0.8
442.16882	0.8
453.11963	1.0
456.14438	1.1
468.14346	3.9
486.15469	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65693	0.7
58.58086	0.7
76.79518	0.8
82.38765	0.7
87.84494	0.8
109.40906	0.9
137.06027	0.9
151.03918	1.0
161.05940	1.1
278.08270	3.4
290.08179	3.9
291.08951	3.8
302.08206	1.1
304.06149	4.3
306.07599	10.9
307.08481	1.0
318.07687	5.9
319.08392	29.1
320.09253	9.9
322.10843	1.1
323.07828	1.6
324.11819	1.0
333.06378	6.3
334.07120	6.7
334.10733	69.9
336.08618	4.1
336.12357	1.6
346.07153	1.3
348.08612	1.4
395.02966	0.9
410.10272	4.6
412.11835	3.2
428.11191	9.1
440.11377	1.9
442.12772	11.6
454.12817	4.0
456.10712	26.5
470.12424	15.4
471.12698	7.7
486.15506	100.0
486.22534	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49194	0.5
51.53024	0.5
61.08652	0.5
63.75587	0.5
64.78536	0.5
68.49317	0.6
75.61648	0.5
89.67030	0.5
108.39941	0.6
117.17297	0.7
146.62564	0.7
186.17459	0.6
218.52994	0.8
234.30437	0.6
278.08112	70.2
291.08948	1.3
304.09653	26.6
306.07593	100.0
307.05127	1.4
307.08417	24.8
308.09241	3.5
316.09955	0.7
320.09012	1.2
321.09692	0.8
334.10934	1.2
336.12256	3.6
426.13379	2.6
456.14960	1.1
468.14301	11.9
486.15497	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36677	0.3
64.98659	0.3
70.35256	0.4
74.02591	0.4
75.36684	0.4
79.21461	0.4
93.95667	0.4
105.78310	0.4
109.27341	0.4
109.75527	0.4
250.08684	0.4
278.08109	100.0
291.08902	1.0
292.09622	1.9
306.07556	15.2
306.10724	0.8
307.08365	9.7
308.09128	0.7
320.09134	0.8
324.08624	1.0
332.09418	0.5
334.10782	0.5
424.11734	0.6
442.12775	0.6
453.12317	1.0
456.14633	2.1
468.14569	4.5
471.12976	0.6
486.15482	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94675	0.6
70.30477	0.6
74.81065	0.6
77.14815	0.6
81.46342	0.8
131.28136	0.7
209.84261	0.7
218.34282	0.6
242.12163	0.7
249.90309	0.7
265.06226	0.8
278.04941	1.3
278.05847	0.9
278.08093	60.2
304.09723	8.2
306.07590	100.0
307.08401	9.6
309.06372	2.6
324.08734	4.0
456.14874	0.8
468.14325	3.2
486.15457	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98798	0.4
101.18379	0.4
139.10045	0.4
170.13477	0.5
250.08571	0.8
268.13690	0.5
274.08444	0.5
278.08109	100.0
279.09137	0.6
291.08792	2.3
292.09680	1.7
299.07782	0.5
306.07605	13.8
307.08340	9.8
308.09094	0.7
320.09183	1.0
343.94388	0.5
412.11746	0.6
440.11481	0.6
442.12918	0.5
453.12238	1.6
456.14380	2.4
468.14273	3.9
471.12878	0.6
486.15475	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82020	0.5
54.66841	0.6
60.90031	0.6
77.29818	0.6
108.26495	0.7
111.85371	0.6
117.34556	0.6
178.92995	0.7
189.22754	0.7
200.19458	0.8
262.08304	0.6
278.04953	1.6
278.08090	59.2
304.09625	8.2
306.07578	100.0
307.08350	10.3
320.09027	4.7
321.09937	2.8
334.10577	2.3
336.12256	41.1
340.43225	0.7
398.81036	0.7
434.41992	0.6
468.14526	4.5
486.15375	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90336	0.6
59.61404	0.5
59.70147	0.7
77.37070	0.5
77.38440	0.5
79.37827	0.6
92.21582	1.3
181.36952	0.6
202.46080	0.6
215.14412	0.6
278.08115	60.7
304.09647	6.8
306.07596	97.3
307.08356	6.0
308.09195	3.2
318.07620	1.2
319.08731	0.9
320.09268	5.2
321.09793	3.0
324.12415	1.3
334.07199	0.9
334.10580	4.3
336.08493	1.1
336.12259	8.3
442.13129	4.7
453.13010	0.7
454.12915	0.8
456.10242	4.2
468.14572	3.5
470.12283	7.5
471.13062	1.4
486.15570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1545
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
72.52000	0.7
79.26196	0.9
90.60531	0.7
92.21648	1.1
198.03569	0.8
254.60942	0.9
278.08105	66.2
284.29810	0.8
304.09668	8.5
306.07593	100.0
307.08383	9.8
318.07571	0.9
334.29297	0.9
412.60269	0.9
447.25226	0.8
456.14038	1.0
468.14493	4.9
486.15463	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98572	0.8
73.20946	0.8
74.67641	0.7
77.93470	0.7
83.09262	0.7
89.36089	0.8
115.80542	0.9
129.63852	0.9
137.05911	1.4
142.04874	0.8
151.03848	1.2
176.06984	1.0
290.07977	3.5
291.08798	4.9
292.09564	1.8
304.06015	1.4
306.07642	9.6
318.07492	4.5
319.08276	12.0
320.09171	14.8
321.09744	3.6
323.07751	2.1
333.06372	9.5
334.06891	10.3
334.10547	19.8
336.12167	11.5
346.06818	1.3
348.08499	1.6
384.12067	1.0
396.12411	1.1
410.10077	1.3
412.11542	3.4
426.13297	2.0
428.11194	8.4
440.10858	4.2
442.12961	8.5
443.12741	1.0
454.12521	1.5
456.10696	22.2
470.11563	7.3
471.12671	7.7
486.15085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50135	0.1
66.15538	0.1
70.57260	0.1
71.08997	0.1
83.81713	0.1
84.53343	0.1
90.04613	0.1
91.93414	0.1
112.00229	0.2
162.77306	0.2
268.47079	0.2
278.08112	6.0
291.08804	0.2
292.09677	2.4
293.10452	0.3
304.09418	0.2
306.07608	9.5
306.11163	0.3
307.08484	0.2
308.12601	1.6
320.09171	10.5
321.09952	5.4
334.10666	0.7
336.12283	100.0
344.64716	0.2
412.11703	1.1
414.13425	0.2
428.11331	0.4
442.12772	2.6
443.13446	0.6
454.12650	0.3
456.10336	1.6
470.12262	2.7
471.12811	1.1
486.15228	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1548
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
55.17856	0.5
70.06789	0.5
85.52971	0.5
92.20959	0.6
278.08112	66.9
304.09747	9.3
306.07596	100.0
307.08359	9.6
329.01254	0.6
456.14670	1.2
468.14249	4.2
486.15482	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1548
Annotation	beta-hydroxyorcein
Peak:m/z	Relative Intensity
54.06944	0.5
60.28089	0.5
68.25273	0.6
278.08115	54.2
301.12915	0.9
306.07605	89.2
307.08487	2.7
308.09180	1.0
320.09164	7.2
321.09918	1.2
334.10654	0.8
336.12308	25.1
378.72339	0.8
412.11942	6.2
414.13464	1.3
428.10977	0.9
434.87460	0.7
442.12878	6.7
454.12610	1.3
456.10416	5.4
470.12302	3.9
471.13141	3.7
486.15466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54972	0.5
56.22842	0.4
57.96453	0.5
71.05043	0.5
78.41196	0.6
88.71431	0.6
168.05594	0.7
176.12494	0.7
211.41939	0.7
278.08112	63.5
291.08939	0.8
304.09756	8.5
306.07596	100.0
307.08411	10.8
308.09048	0.7
320.09119	12.4
340.09384	0.6
342.54553	0.6
349.72147	0.6
468.14484	3.5
486.15466	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58849	0.6
55.30979	0.7
119.39232	0.7
152.50584	0.8
168.02167	0.7
173.37686	0.8
203.42387	0.8
215.28635	0.9
237.75797	0.9
278.08096	1.4
292.09653	10.8
304.09479	1.0
306.07553	5.0
318.07645	5.5
320.09216	19.4
321.09964	27.4
334.10678	3.1
336.12311	100.0
426.09476	1.2
428.11145	5.6
441.07922	1.0
442.12820	16.6
454.13211	7.3
455.09796	1.4
456.10764	40.1
470.12405	24.0
471.13083	13.5
486.15390	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58849	0.6
55.30979	0.7
119.39232	0.7
152.50584	0.8
168.02167	0.7
173.37686	0.8
203.42387	0.8
215.28635	0.9
237.75797	0.9
278.08096	1.4
292.09653	10.8
304.09479	1.0
306.07553	5.0
318.07645	5.5
320.09216	19.4
321.09964	27.4
334.10678	3.1
336.12311	100.0
426.09476	1.2
428.11145	5.6
441.07922	1.0
442.12820	16.6
454.13211	7.3
455.09796	1.4
456.10764	40.1
470.12405	24.0
471.13083	13.5
486.15390	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76821	0.3
59.21109	0.3
76.58118	0.3
157.99521	0.3
158.96539	0.3
175.47954	0.4
239.59270	0.3
269.93896	0.4
280.09671	8.0
292.09616	0.8
294.07526	2.0
308.09174	9.5
309.09937	29.0
324.12274	100.0
385.21628	0.4
486.17618	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76457	0.2
79.84884	0.2
83.18968	0.2
99.04354	0.2
162.30638	0.2
177.05373	0.6
178.08553	0.5
208.06905	0.2
209.75554	0.2
213.40283	0.3
227.04659	0.2
235.94595	0.2
267.29395	0.2
294.07526	1.7
296.64896	0.3
309.09937	28.3
324.12296	100.0
376.11826	1.2
486.17831	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49486	0.3
58.92548	0.3
62.52785	0.3
75.24965	0.3
78.98745	0.3
257.63950	0.3
271.41040	0.3
274.53635	0.5
294.07669	0.4
309.09940	26.4
324.12280	100.0
372.12283	0.4
404.30728	0.5
486.17679	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06013	0.2
59.59271	0.2
81.57709	0.2
83.27232	0.2
104.94359	0.2
111.26235	0.2
148.65919	0.2
181.19106	0.2
233.30501	0.2
279.08945	0.4
280.09604	0.9
308.09161	9.5
309.09937	4.3
324.12292	100.0
332.98071	0.2
456.81458	0.2
486.17593	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
74.35571	0.3
86.09562	2.5
86.10116	0.6
121.93499	0.3
129.10146	0.6
157.56065	0.3
161.50444	0.4
168.56064	0.3
173.79074	0.3
188.63654	0.4
280.09854	0.4
291.08237	0.4
297.83908	0.4
308.09134	0.6
309.09955	18.4
318.07651	0.5
319.08243	3.1
320.08731	5.1
324.08673	10.4
324.12262	100.0
334.10739	4.6
335.11060	10.9
371.22955	0.8
456.13123	0.8
486.17755	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36833	0.4
79.90279	0.5
143.11557	0.5
175.03835	0.5
177.05530	2.0
207.06529	0.6
247.13132	0.5
294.07623	1.1
309.09946	26.4
324.12271	100.0
486.17789	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06522	0.4
74.42316	0.3
93.30456	0.3
96.00986	0.5
99.04420	0.6
100.10670	0.4
103.10178	0.3
109.02031	0.4
119.77329	0.4
131.04939	0.3
164.07195	0.4
177.05391	0.6
265.08200	0.4
280.09680	7.5
282.10950	0.4
292.09641	2.0
294.07590	2.4
294.10724	0.5
305.22586	0.4
308.09106	9.6
309.09940	30.4
324.12280	100.0
486.17673	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43225	0.4
50.74627	0.4
57.37921	0.3
72.24359	0.3
75.86474	0.3
76.85268	0.3
92.20992	0.5
94.27119	0.4
103.83202	0.4
118.14926	0.4
192.12273	0.4
206.20934	0.4
215.34428	0.4
246.97597	0.4
262.60721	0.5
309.09946	30.4
324.12280	100.0
447.69702	0.5
486.17566	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12841	0.4
55.13852	0.4
55.34238	0.5
60.10989	0.4
66.79414	0.4
85.26471	0.5
173.43724	0.5
247.02943	0.5
280.09448	0.5
308.09140	7.4
309.10052	4.3
324.12286	100.0
409.76663	0.6
486.17587	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82765	0.2
58.06576	0.5
59.25907	0.2
59.66465	0.2
60.39505	0.2
63.41863	0.2
65.47381	0.2
67.62083	0.2
70.06561	0.4
81.85799	0.2
82.33633	0.2
85.03418	0.2
92.49194	0.2
97.02841	0.2
99.04425	0.3
110.93774	0.2
119.04920	0.3
121.40665	0.2
144.08064	0.8
147.04347	0.4
156.08055	0.2
175.03859	1.2
177.05611	0.3
178.08527	0.3
193.04955	0.4
203.52327	0.2
207.06459	1.6
260.10556	0.3
261.10974	1.0
280.09647	8.4
292.09628	1.4
293.10498	0.2
294.07559	2.1
306.11438	0.3
308.09161	10.3
309.09937	31.1
323.13940	0.3
324.12274	100.0
350.10114	0.3
363.08746	0.4
391.08109	0.9
450.17114	1.0
468.18112	0.4
486.17618	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56859	0.3
54.88463	0.2
56.17110	0.3
75.17837	0.3
124.97176	0.3
134.46976	0.3
148.49583	0.3
149.31804	0.3
280.09723	0.3
308.09116	8.5
309.09937	4.7
324.08759	7.3
324.12262	100.0
392.51614	0.3
486.17764	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89118	0.2
55.01792	0.2
58.06576	0.3
63.83473	0.2
69.03378	0.2
70.06551	0.3
72.08076	0.3
84.08092	0.3
90.64922	0.3
111.35931	0.2
121.06433	0.4
127.11151	0.3
130.94109	0.2
132.27997	0.3
147.04340	0.3
175.03836	1.2
207.06467	1.1
232.31807	0.3
263.09241	0.5
266.07916	0.4
280.09665	8.5
284.23123	0.3
292.09674	1.1
294.07617	2.7
308.05902	0.6
308.09180	8.9
309.09955	31.3
324.12292	100.0
350.10263	0.4
468.18094	0.4
486.17682	45.9
507.50235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77367	0.4
61.16360	0.4
62.75007	0.5
65.10892	0.4
69.42504	0.5
106.55574	0.5
121.03573	0.5
141.41483	0.5
153.34032	0.6
190.87793	0.5
272.32520	0.5
280.09784	0.7
294.41232	0.5
308.09171	9.0
309.09897	5.6
320.09152	1.1
323.11435	5.1
324.08795	6.1
324.12256	100.0
334.10565	0.7
486.17664	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28643	0.5
55.05504	0.5
57.07061	1.2
57.97126	0.5
62.53947	0.5
67.05492	1.2
69.07076	0.9
70.51110	0.5
70.51505	0.5
71.08630	1.0
81.07060	2.7
83.08591	0.9
84.08926	0.5
85.10193	0.7
95.08609	3.3
97.10162	2.5
97.67161	0.6
98.98450	0.8
109.10189	0.8
123.11707	0.8
151.36942	0.7
161.13235	0.6
170.11922	0.7
180.60226	0.6
256.44650	0.6
259.24274	0.6
263.23911	0.7
280.26349	1.0
298.27454	1.0
314.27621	5.4
334.10840	1.0
373.13837	0.7
383.11575	3.0
384.89450	0.6
386.10095	5.7
400.11746	7.1
400.15567	0.5
401.12512	0.9
411.11133	0.9
412.15445	1.4
414.09470	10.2
414.17581	0.9
428.11069	13.7
442.16782	5.3
458.19736	2.8
468.37085	2.9
470.16110	7.8
471.16702	1.0
486.19110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29321	0.5
57.03410	0.6
58.06586	1.1
59.10739	0.5
67.97344	0.5
69.03429	2.1
69.43948	0.5
73.02937	0.5
85.02908	6.3
94.05066	0.5
97.02882	1.2
145.33678	0.6
159.83746	0.5
234.15488	0.5
278.08090	44.6
290.08221	0.7
292.09613	7.7
304.06519	0.6
304.09726	3.0
306.07587	74.7
307.08368	3.1
308.09280	1.1
318.07629	2.1
319.08398	4.8
320.09116	10.8
321.09937	19.7
324.08646	100.0
324.11871	4.0
334.10657	8.2
335.11295	0.7
336.12271	74.9
440.15186	0.6
456.14063	0.7
471.13464	0.6
486.15460	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01711	0.3
50.62903	0.3
51.93704	0.3
59.40559	0.3
62.96792	0.4
119.05403	0.4
150.04602	0.4
151.36987	0.4
153.75807	0.4
170.55840	0.4
278.08093	2.1
292.09647	11.9
304.09628	2.5
306.07581	6.6
307.08322	0.4
314.69690	0.4
319.08185	0.8
320.09116	15.1
321.09937	29.2
324.12170	0.5
334.10812	1.6
335.11087	0.5
336.12277	100.0
470.12381	0.9
486.14847	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75029	0.4
91.19865	0.3
92.21509	0.4
102.93696	0.3
109.51247	0.3
112.94886	0.4
135.42174	0.4
147.61945	0.4
154.66588	0.3
203.69510	0.4
218.08391	0.4
292.09674	9.9
304.09717	2.4
306.07626	2.8
320.09192	13.1
321.09955	29.7
336.12296	100.0
405.99167	0.4
486.18979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14920	0.4
60.44334	0.4
64.63333	0.4
77.65084	0.4
152.39413	0.5
155.20593	0.5
163.65759	0.4
281.08096	0.6
325.36572	0.5
334.10861	0.6
336.12286	0.6
386.10001	0.6
415.14127	2.7
424.15424	2.5
442.16486	5.8
444.14246	0.9
452.14832	2.3
458.19501	6.8
470.16025	14.7
471.16925	2.5
486.19092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44310	0.2
66.15843	0.2
136.66011	0.2
139.85587	0.3
147.31947	0.2
169.93613	0.2
242.13304	0.3
278.08093	0.4
292.09653	9.1
304.09760	1.6
306.07596	3.4
320.05414	0.3
320.09155	12.0
321.09940	27.5
324.08606	0.4
336.12292	100.0
356.03482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37576	1.1
56.88654	1.0
58.06603	1.6
59.90345	1.2
78.17413	0.9
80.28640	1.2
82.27627	1.0
89.11475	1.2
92.21586	1.8
107.04967	1.1
127.38622	1.1
189.95811	1.1
229.83345	1.5
231.46948	1.4
233.08145	1.3
254.83539	1.4
275.90558	1.4
292.09500	1.4
306.07217	1.6
319.08362	8.5
320.08807	5.7
321.09573	6.8
330.11057	7.9
334.10727	17.7
335.10913	6.5
336.12143	27.6
356.09131	17.3
358.10751	65.8
359.11475	1.4
370.10480	1.5
372.08633	3.6
373.12958	10.4
374.13824	1.7
386.10220	31.6
387.10654	7.0
400.11182	4.5
402.13361	19.8
414.13171	2.8
426.16953	2.2
458.19345	2.3
486.18726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11956	0.3
51.45809	0.3
56.99659	0.3
89.28847	0.4
130.79167	0.4
179.55620	0.3
276.06174	0.4
278.08176	4.6
291.08847	0.6
292.09637	2.3
293.10403	0.4
305.09235	0.6
306.07394	5.4
307.08499	0.8
308.12747	1.2
318.07767	0.4
319.08551	0.5
320.09161	10.1
321.09930	5.6
334.10773	2.0
336.12299	100.0
347.14786	0.4
350.13782	0.6
398.10379	0.5
427.58148	0.3
465.56485	0.4
475.29111	0.4
486.15463	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32714	0.2
59.65216	0.3
66.77191	0.3
72.93613	0.3
92.20900	0.3
95.23076	0.3
110.77232	0.3
116.17895	0.3
124.32577	0.3
137.31654	0.3
154.10368	0.3
181.84558	0.3
271.17950	0.3
275.37012	0.3
278.08096	8.5
278.81934	0.3
292.09583	3.1
306.07590	15.3
308.09277	0.5
308.12717	1.2
320.09137	10.7
321.09940	4.7
324.08722	1.3
334.10812	1.5
336.12271	100.0
409.80164	0.4
428.11328	0.3
442.12537	1.3
470.12027	0.4
471.12958	0.7
486.15387	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21557	0.3
75.15420	0.3
80.79251	0.4
93.31642	0.3
149.09315	0.4
225.68262	0.3
290.13666	0.4
291.09052	0.4
292.09662	11.2
292.12851	0.4
304.09833	1.6
306.07629	3.3
320.09149	11.4
321.06076	0.7
321.09961	30.4
336.12299	100.0
373.76944	0.4
486.18860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21883	0.3
62.09586	0.3
83.70798	0.4
91.92097	0.4
208.32939	0.4
224.32590	0.4
278.08063	0.7
292.09683	10.7
304.09567	1.8
306.07562	4.1
320.09128	12.2
321.09952	28.5
336.12289	100.0
441.71439	0.4
473.78299	0.5
486.15179	2.1
486.20352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	2.1
67.05452	1.0
67.18919	1.2
68.50352	1.3
81.07085	1.8
125.22047	1.2
142.63823	1.2
142.64873	1.5
149.41994	1.1
185.03534	1.1
258.66888	1.2
265.51300	1.5
278.07974	1.4
306.07700	2.4
318.07602	1.5
319.08356	11.0
320.09161	17.9
320.12939	6.3
323.11322	2.0
334.10751	20.5
336.12329	5.0
424.15375	1.7
428.15030	6.8
440.15213	4.1
442.16428	31.3
454.16559	11.6
456.14499	24.3
470.16028	38.3
471.16998	12.4
486.11877	4.0
486.19125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01985	0.3
64.69337	0.3
85.02907	0.4
90.66795	0.4
110.39525	0.3
115.78513	0.3
116.68636	0.3
142.31021	0.3
142.40576	0.3
159.39961	0.3
163.23955	0.3
267.92599	0.3
278.08115	6.3
292.09775	2.2
293.10828	0.3
304.09845	0.4
306.07593	11.4
307.08197	0.6
308.09668	0.4
308.12952	1.3
320.09158	10.2
321.09937	5.1
324.08640	15.5
336.12296	100.0
477.29233	0.4
486.14835	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	25.0
58.06612	35.8
61.50982	1.4
65.03912	1.6
69.03423	1.5
70.06551	1.4
72.08153	8.7
81.03427	8.2
82.06622	1.6
83.04994	1.8
84.08150	2.2
85.02898	2.9
91.05492	3.5
97.02917	2.6
99.04460	27.5
109.02888	12.6
111.04448	1.4
119.04944	16.6
120.04469	22.2
124.64056	1.6
125.04744	24.4
127.03906	11.6
138.05484	2.8
147.04417	82.2
164.10742	5.8
165.05492	6.2
173.05875	1.7
175.03905	72.6
180.10190	33.1
182.89420	1.5
191.07051	8.2
193.05011	2.4
198.11234	3.1
199.06075	3.2
207.06526	100.0
208.09726	10.2
226.10785	17.1
244.12027	1.9
245.08107	15.9
246.76682	1.5
263.09250	11.3
308.08627	1.8
309.09641	2.5
324.11899	7.0
346.32324	1.6
351.11011	1.8
389.12335	7.3
407.13318	22.6
422.18073	2.6
432.16165	1.9
450.17661	41.4
459.87521	1.7
468.18668	18.1
486.21378	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.0
68.48616	1.0
75.04478	1.4
81.66058	0.8
92.20854	1.5
94.83129	0.8
95.05004	1.2
107.04960	5.7
135.08049	100.0
151.68579	0.9
209.07292	5.8
209.11717	70.6
217.90897	1.0
227.08377	1.0
290.08063	5.9
301.11935	23.4
302.08276	1.4
304.06094	1.5
306.07556	1.1
318.07651	5.9
318.33929	1.0
319.08398	25.5
320.09116	13.0
334.10721	55.4
336.12024	1.9
486.22458	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46718	0.5
58.29254	0.6
66.97889	0.5
77.86812	0.6
85.68067	0.6
85.82532	0.5
101.32083	0.7
103.85004	0.6
115.23549	0.7
211.71643	0.7
252.47350	0.6
262.70941	0.7
277.07748	0.7
278.08215	1.0
290.08163	5.3
292.09695	4.6
302.08142	1.5
304.06046	4.2
304.09607	0.7
306.07513	0.8
318.07574	10.9
319.08383	47.3
320.09164	100.0
334.10730	99.7
336.12250	5.3
378.61749	0.8
486.16736	4.0
486.23456	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28529	0.7
55.05520	4.0
55.48343	0.9
58.53718	0.9
58.75401	1.1
64.97530	0.9
77.26977	0.9
83.04985	39.6
83.05449	1.9
95.04996	1.0
132.76341	1.0
174.05507	2.0
176.07059	10.6
215.10672	1.9
239.10660	4.2
292.09570	7.5
306.07657	2.4
318.07712	2.2
320.09131	14.3
321.09970	27.7
324.08881	1.5
333.09979	2.4
336.12289	100.0
358.10593	1.9
362.13977	5.6
373.13312	1.8
388.15378	2.6
447.55862	1.2
486.22784	63.7
492.78937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.306
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
55.05518	3.2
57.07090	3.6
67.05502	16.0
69.07063	8.6
70.30598	1.4
71.08624	3.3
79.05531	11.1
81.03407	3.0
81.07065	17.2
82.33939	1.5
83.04986	1.6
83.08616	7.7
91.05486	6.7
93.07050	10.1
95.04993	1.8
95.08614	13.8
96.04488	17.0
97.06544	2.7
102.96852	1.5
105.07041	14.2
105.61159	1.4
107.08614	8.6
109.06529	2.2
109.10158	6.9
114.05590	1.6
119.08562	16.6
121.10132	7.4
122.06010	2.6
124.03943	12.0
126.05529	2.3
133.10152	9.7
137.13235	2.1
138.05505	16.6
138.53281	1.6
142.05009	25.0
147.11740	2.4
152.07124	1.7
154.04945	2.0
160.28601	1.6
166.04991	21.0
168.06560	3.7
170.04489	33.6
184.06085	13.3
188.05569	13.0
196.06079	3.1
206.08157	2.0
212.05551	8.8
214.07100	2.0
230.06557	3.5
245.22678	7.3
263.23773	9.9
350.32846	1.6
357.33401	1.7
358.27570	2.5
404.28214	2.7
432.27490	18.4
450.28656	22.3
468.29584	100.0
486.14868	2.0
486.23209	3.5
486.30612	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69137	0.8
53.03960	6.3
55.05511	1.7
56.43354	0.9
57.07108	0.9
61.28334	0.7
67.05506	9.3
69.07054	4.2
72.64783	0.7
79.05496	1.6
80.05022	4.5
81.03427	6.2
81.07063	10.7
83.08608	1.8
91.05460	1.6
92.28792	0.8
93.07053	4.3
95.08617	10.3
97.10132	1.0
99.04458	49.0
105.07003	0.9
107.08603	1.9
108.04483	100.0
109.10189	3.1
110.06057	1.0
110.44765	0.9
119.08615	1.1
121.10120	1.9
123.11734	1.6
126.05521	33.8
133.10089	1.3
135.11694	1.0
149.07042	1.1
164.41888	1.0
167.77399	0.8
170.42639	0.9
182.59549	1.2
224.09138	1.0
232.10797	8.0
245.22672	1.1
263.23578	1.5
276.81595	0.9
370.27463	5.5
388.28867	0.9
486.32135	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
59.91854	1.7
67.05489	7.3
69.07076	3.7
76.46887	2.0
81.07061	3.5
93.07075	2.5
95.08600	8.3
97.10184	2.0
107.08567	4.2
109.10155	10.0
125.09691	2.0
185.09607	3.0
187.07489	12.2
199.07570	10.7
201.09027	14.3
213.09119	8.8
215.10753	2.5
227.10634	12.6
229.08623	11.9
237.12753	4.3
240.11424	3.2
241.08641	14.1
243.10220	2.8
253.12296	2.4
255.10072	4.0
255.13873	20.4
261.11224	12.3
267.13852	3.3
269.15384	38.7
275.12772	9.5
279.13760	2.5
297.14801	19.9
327.16119	2.6
329.17447	100.0
363.18854	2.4
369.20667	3.8
381.20511	12.4
396.67221	2.1
413.23230	4.7
451.28568	15.8
468.32721	4.0
500.54654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54749	4.0
55.05519	9.0
57.07095	8.6
60.62424	4.2
63.83911	4.1
67.05503	34.3
69.07070	28.3
71.08669	3.8
79.05509	7.3
81.07040	20.7
83.08620	9.8
89.05986	5.5
91.05466	4.5
91.45036	4.6
93.07041	9.5
95.08604	18.9
107.08617	7.9
109.10158	89.8
118.68385	4.3
121.10170	5.3
123.11720	21.5
135.11737	5.4
136.01222	4.9
137.13347	5.4
171.79759	4.7
187.07527	10.5
199.07509	5.2
201.09135	29.8
213.09151	11.4
220.15994	4.9
225.09064	11.4
227.10686	30.3
233.72307	5.8
239.10687	9.3
241.08655	6.2
241.12207	7.4
253.08635	5.6
253.12177	23.1
255.10068	8.7
255.13879	10.6
261.11203	6.9
267.13644	5.0
269.12595	6.1
269.15414	65.3
273.11145	4.6
279.13809	8.3
281.11905	9.9
281.15207	8.7
293.15250	7.2
295.13525	7.5
297.14822	23.5
299.12955	9.5
313.14401	19.0
315.15747	6.0
329.17490	100.0
337.18039	8.2
341.17490	8.1
361.86688	5.6
367.19031	28.5
369.20419	6.0
381.20715	10.1
395.22119	21.0
451.28397	90.9
486.16046	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11620	4.5
103.00523	5.3
160.95801	5.6
185.09888	6.1
192.06300	85.3
230.80740	5.4
241.18306	7.8
381.08966	5.1
486.35425	100.0
486.41592	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27065	1.4
55.05521	13.0
56.05030	3.7
57.07073	3.0
60.04530	76.1
67.05515	18.6
69.07060	11.5
79.05497	13.0
81.03418	2.7
81.07056	15.2
82.06587	2.7
83.08613	11.1
90.05566	1.6
91.05472	6.6
92.12859	1.7
93.07048	9.5
94.06571	2.8
95.08600	17.9
96.08150	2.2
97.10165	27.5
105.07047	2.5
107.08572	11.9
109.10162	8.7
119.08572	7.5
121.10131	3.5
123.08072	1.7
123.11655	2.7
125.09626	19.0
133.10095	3.9
135.08040	2.8
135.11732	2.3
147.11633	1.8
147.87872	1.6
152.10670	1.8
170.11745	8.9
171.10172	1.6
189.11082	2.4
194.11824	13.4
212.12903	2.2
245.22639	2.6
250.25198	2.2
256.26318	3.0
257.26575	2.0
262.25269	27.4
262.34525	1.7
263.23770	2.6
280.26367	18.9
298.27417	7.5
321.09598	2.3
336.12238	10.1
337.12878	2.1
432.34589	2.7
450.35809	17.7
468.36877	100.0
486.30811	2.6
486.37936	56.6
486.43802	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
57.63454	0.8
58.06610	14.1
59.07395	1.7
59.15057	0.8
60.08167	6.5
60.18803	0.9
62.55074	0.7
67.05505	1.2
69.07068	1.8
71.19534	0.9
71.52520	0.8
74.67960	0.8
75.04492	1.0
76.53628	0.9
81.07065	4.4
83.08628	4.2
85.06573	1.4
87.04462	1.6
93.07054	1.2
95.08625	1.4
97.10172	1.2
104.72198	0.8
105.06935	0.9
107.08618	1.2
109.10202	1.2
121.10165	3.5
135.11726	1.5
141.64137	1.0
144.10199	10.0
160.85898	0.9
162.11171	1.2
203.09952	0.8
236.14923	100.0
241.14693	1.2
314.88101	1.0
325.27499	1.6
357.13156	0.9
468.36823	7.5
486.37943	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61705	0.8
52.10226	0.9
54.18565	0.9
55.05507	2.2
58.06606	15.8
59.07368	1.8
60.08171	2.1
67.05518	2.4
69.07063	8.8
72.02586	1.1
75.04494	1.9
76.26312	0.9
79.22455	1.2
79.44936	1.2
81.07078	9.4
83.08636	2.5
89.25534	1.1
93.07036	1.9
95.08586	4.4
97.10218	1.9
107.08598	2.3
109.10160	6.2
129.59322	1.1
133.10019	1.2
135.11736	1.9
144.10219	9.4
162.11267	1.6
215.10666	2.4
236.14928	100.0
239.10760	2.8
241.23524	1.7
253.12230	1.2
255.13972	1.8
269.15384	1.5
291.14078	1.6
294.35886	1.2
295.13544	1.4
295.16803	1.8
303.51611	1.4
309.15039	1.7
313.14301	1.9
320.09192	4.6
334.10574	2.7
337.14212	1.7
337.21573	13.1
349.13068	1.6
365.21106	2.2
393.20581	24.3
393.25293	1.5
396.95126	1.4
411.21628	6.2
451.24982	2.2
468.36942	7.2
486.27051	2.4
486.37894	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41029	1.8
62.36220	1.6
72.05244	1.6
81.03429	2.2
91.05437	2.4
93.31382	1.7
98.00011	1.8
119.04945	19.6
121.50524	2.0
124.40717	1.8
129.60046	1.9
134.17180	1.8
147.04413	23.8
167.65207	2.1
175.03882	73.2
207.06519	100.0
320.08994	11.0
334.10797	3.6
335.10898	3.2
369.11911	3.2
375.75015	1.8
449.01306	2.2
455.16199	2.1
487.15176	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
69.03439	4.6
70.06596	0.7
71.04998	0.9
71.89264	0.5
79.84385	0.5
80.45750	0.5
80.58436	0.5
81.03422	9.6
85.02912	7.1
85.03344	0.9
92.55676	0.5
94.48482	0.6
97.02903	5.4
99.04453	100.0
109.02883	2.5
117.05482	10.4
121.06488	1.1
124.89461	0.7
127.03909	3.5
145.02802	0.7
145.04968	1.3
147.04387	2.9
149.05885	0.7
163.03941	0.9
163.14624	0.7
167.07050	8.0
175.03900	6.7
177.05493	7.2
193.84305	0.7
207.06520	9.5
209.08066	2.4
227.00986	0.7
227.09055	5.7
241.40404	0.7
243.08644	1.2
261.09711	3.3
328.93149	0.7
470.32947	0.6
487.20944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	2.3
97.46154	1.9
105.07014	3.3
106.00480	2.0
107.04958	13.5
110.75436	1.9
110.90614	1.9
113.43585	2.1
119.56931	1.9
131.04953	3.7
133.06462	3.8
148.05162	2.5
161.05954	9.5
162.06799	3.5
167.07028	100.0
171.08049	2.5
176.04735	3.5
184.05112	2.1
191.07098	25.3
199.07521	43.1
233.09605	13.5
246.06873	2.7
249.09077	3.0
259.07440	4.4
260.08469	2.2
261.09164	15.9
262.09927	3.7
263.07007	2.5
274.06241	4.5
275.10800	2.8
277.08646	13.7
278.09335	10.1
288.07837	4.1
289.08652	25.1
290.09402	8.8
291.06647	4.4
291.10034	4.2
293.11700	9.3
295.09738	3.6
304.07135	2.2
305.08066	12.0
306.08884	16.3
307.09616	24.1
319.09570	4.5
321.11237	74.7
323.09128	20.6
337.10669	27.8
338.11487	38.5
351.12250	8.3
352.13022	73.6
353.13760	53.7
395.15021	3.7
427.17734	3.9
428.56638	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
57.20785	1.0
79.05495	2.7
92.20998	1.8
95.04980	1.1
99.04373	1.2
103.05499	2.2
103.39814	1.2
105.07035	7.0
107.04955	9.8
107.05569	1.2
115.05411	1.5
117.05476	1.6
123.04402	2.1
124.76043	1.1
128.06201	1.8
131.04900	5.8
132.05760	1.4
133.06516	3.0
143.98534	1.5
147.04381	2.9
152.04681	2.2
161.05974	7.3
162.06746	3.0
163.07558	1.4
167.07030	100.0
171.08026	1.9
173.06006	1.7
175.07494	2.7
176.04736	2.0
177.05453	2.2
184.05154	3.0
191.07034	24.8
199.07536	50.4
205.10123	1.8
209.08177	2.1
215.08604	2.9
218.07117	1.7
228.55843	1.3
229.06612	2.2
231.08069	6.5
232.08795	2.7
233.09651	13.4
235.07512	1.7
239.69128	1.2
241.10583	4.5
243.08066	2.8
246.06819	2.8
249.09157	6.2
250.09708	2.2
259.07434	3.1
260.08322	6.6
261.09076	18.4
263.06927	2.9
263.10767	2.2
264.07745	1.7
271.07404	1.5
274.06223	2.6
276.08041	1.6
277.08557	14.1
278.09320	8.7
288.07755	4.8
289.08582	29.2
290.09323	9.0
291.06604	7.4
291.10153	9.1
293.11734	10.1
295.09598	1.9
305.08090	16.9
305.11227	2.3
306.08908	15.8
307.09674	22.1
309.10999	2.3
319.09756	2.1
320.10181	6.3
321.11234	79.2
323.09134	18.1
337.10733	32.5
338.11484	43.3
351.12277	6.9
352.13034	75.1
353.13843	41.5
427.17627	9.6
487.15958	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05524	10.7
57.03447	6.3
61.02924	7.2
67.05504	70.8
69.03416	7.5
69.07074	27.1
79.05485	66.9
81.03416	5.8
81.07069	91.4
81.89614	4.9
83.05018	5.4
83.08641	20.6
85.02899	7.6
85.06540	8.3
88.07618	6.0
91.05467	39.4
92.20889	7.8
93.07030	100.0
95.04977	9.8
95.08606	70.8
97.02866	4.7
97.06550	8.2
99.08100	5.1
105.07027	37.9
107.08607	67.7
107.56853	5.3
109.02895	9.2
109.06523	8.0
109.10148	52.1
111.04429	6.0
111.08087	9.7
117.06986	22.9
119.08592	33.8
119.91610	5.2
121.06544	9.5
121.10141	73.8
121.10918	6.9
123.11684	10.6
127.03890	8.9
129.06946	6.2
131.08563	42.1
133.10117	54.0
135.11700	58.7
137.13306	6.1
143.08607	10.3
145.10109	57.6
147.07993	6.1
147.11685	37.7
148.55656	5.9
149.09579	6.7
149.13249	43.5
157.10135	11.7
159.11696	59.1
161.13281	7.8
169.10121	7.6
171.11713	21.2
173.13249	35.4
175.14793	6.1
183.11722	10.1
185.13261	11.0
187.14787	8.7
195.11787	8.8
215.17917	73.8
228.23061	6.4
232.79254	5.7
233.18962	97.6
256.26224	20.2
325.23874	24.4
336.12305	7.9
343.26276	10.8
404.63162	8.0
451.27921	9.3
468.55267	5.5
469.28970	35.0
482.02359	5.9
487.29886	74.0
487.40897	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3052
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
53.03950	6.8
55.01867	1.4
55.05516	6.2
57.07099	1.5
67.05511	15.3
69.03416	3.7
69.07066	7.0
71.04969	1.5
71.08623	2.5
79.05501	9.2
81.03428	15.2
81.07064	20.3
83.04992	3.3
83.08630	6.5
86.06107	1.6
91.05484	9.1
93.07069	13.7
95.04941	2.1
95.08606	14.1
97.02908	3.3
97.06548	2.0
99.04450	36.6
105.07045	11.1
107.08605	8.8
109.02861	1.9
109.10165	2.8
109.97254	1.5
111.04444	2.9
117.07014	9.8
119.08570	16.3
121.06512	2.7
121.10127	8.4
123.04434	2.4
129.07050	3.5
131.08572	13.6
133.06497	6.7
133.10132	6.4
141.05450	3.3
143.08583	8.7
145.06480	3.0
145.10130	8.1
147.08003	3.8
147.11670	2.2
149.06009	1.8
149.13278	3.0
153.84177	1.7
155.08554	3.3
157.10129	6.3
159.08133	3.2
159.11681	3.3
161.13242	2.6
165.12773	2.2
171.08028	2.3
171.11673	3.4
173.09555	2.7
173.13297	3.1
175.14822	3.4
183.11765	2.6
185.13312	2.6
187.11206	2.1
187.14828	6.3
199.14816	3.6
201.16420	1.9
213.16414	2.1
215.14444	1.6
217.15935	3.7
227.14162	1.8
229.16092	2.2
234.99962	1.7
241.15823	3.1
261.22046	2.2
273.18411	2.7
335.23807	2.4
343.26385	3.3
353.24924	13.1
371.25781	35.5
389.26794	16.8
422.40561	2.0
451.28146	1.8
469.29639	20.2
487.30499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
67.01431	1.0
67.05516	1.4
69.07094	1.2
70.06585	1.2
71.04987	1.6
71.08652	1.1
72.80254	1.0
81.07068	5.5
83.08612	1.6
88.07628	1.5
90.66024	0.9
91.05460	1.1
92.20954	1.2
93.07062	5.8
95.08616	13.0
97.06550	1.4
97.10139	1.1
99.08087	1.6
105.07039	2.3
107.08597	17.8
109.10168	17.7
113.09631	1.9
119.08598	8.6
121.06571	1.2
121.10142	8.6
123.08091	2.3
123.11718	2.5
125.09634	4.5
131.08553	1.5
133.10112	7.7
135.08073	5.7
135.11710	4.9
137.09598	18.3
138.72650	1.0
143.08539	2.3
145.10136	8.6
147.08049	1.3
147.11693	13.6
149.09602	2.5
151.11195	4.2
152.10780	1.0
153.09093	2.2
157.10127	25.3
159.11635	7.3
161.09586	1.5
161.13216	1.2
163.11198	2.0
169.10152	2.0
171.11745	2.2
173.13213	7.3
175.11137	13.5
175.14851	1.4
177.12767	2.5
183.11681	3.8
185.13297	2.0
187.11153	2.2
187.14851	1.2
189.12791	2.2
201.12764	1.8
201.16475	2.3
203.14320	2.5
214.14383	1.9
215.18016	5.6
225.16418	8.2
242.24741	1.7
243.17448	23.9
244.18217	1.6
245.15453	1.2
261.18515	13.9
300.29062	2.5
313.21451	3.5
315.28110	1.9
361.95325	1.1
396.38998	1.3
451.32047	13.6
469.33109	42.6
487.34225	100.0
487.40964	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3754
Annotation	Batzelladine E
Peak:m/z	Relative Intensity
57.30742	1.0
71.44373	1.0
82.81741	1.2
83.52400	1.0
264.66980	1.2
280.98383	1.3
487.37485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20215	1.0
51.28668	0.9
53.86931	1.0
57.07084	2.8
67.05499	1.8
70.06595	11.9
73.02902	1.2
79.53442	1.3
84.08131	1.2
85.49313	1.1
88.07620	18.3
90.38914	1.1
93.07092	1.5
97.10143	2.3
102.09190	15.0
107.08593	2.3
119.97124	1.3
125.09637	1.4
125.75360	1.3
132.10147	1.9
135.08047	1.4
153.09163	1.5
170.11745	2.9
196.13280	1.3
197.11845	1.6
200.52505	1.1
212.23877	1.8
214.14357	9.0
256.26337	87.0
270.20621	2.5
300.28998	1.5
317.02020	1.4
336.63516	1.2
343.53308	1.2
433.30005	1.3
469.39792	10.1
487.41049	100.0
490.20670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.98158	0.5
57.03430	1.1
57.07084	1.1
62.06095	1.0
64.08800	0.6
67.05515	3.4
69.06467	0.5
69.07074	8.5
70.35033	0.6
71.04987	1.1
71.08603	0.8
74.06104	0.5
79.05495	1.6
81.07057	5.0
83.08619	1.2
83.95490	0.6
84.14864	0.6
86.06085	1.3
87.72381	0.7
88.07644	1.1
93.07051	5.2
95.05000	0.6
95.08610	4.8
97.06527	6.0
99.04445	0.9
100.07630	2.6
104.07148	0.9
107.08607	6.3
109.10166	3.6
111.08075	3.4
111.11722	3.4
114.09144	1.2
121.10118	2.7
128.10742	0.8
133.10178	0.6
135.11699	25.4
141.20604	0.7
145.10139	1.5
152.14339	20.2
153.12750	16.0
163.11203	3.0
170.15405	6.8
180.13823	2.9
181.12271	1.2
198.14893	35.2
199.13335	2.9
210.10986	1.3
223.34772	0.9
224.16466	13.0
225.14827	9.2
242.17499	89.1
242.24832	3.8
251.12106	0.7
257.30923	0.7
290.27011	3.3
347.67395	1.0
423.32455	1.1
439.38629	0.9
441.33612	0.7
487.41068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97675	0.3
55.05504	0.8
57.03421	1.0
57.07062	0.8
58.06581	0.4
58.57751	0.3
62.06065	0.9
63.91986	0.3
66.15700	0.3
67.05477	2.5
69.07068	8.5
70.06538	0.6
71.04958	0.6
72.08140	1.4
79.05460	2.3
79.34143	0.4
81.07052	4.3
83.08612	3.7
85.06524	0.7
86.06035	1.8
88.07604	2.4
93.07034	4.8
95.08591	2.9
96.08086	0.5
97.06535	5.7
99.04414	0.9
100.07637	3.0
104.07093	0.6
107.08578	5.2
109.10110	2.6
111.08087	3.1
111.11687	2.1
114.09111	1.8
121.10075	0.7
128.10628	0.4
135.11687	25.4
145.10101	2.3
152.14328	19.7
153.12737	13.6
163.11176	3.5
170.15385	7.2
180.13805	3.7
181.12221	1.6
183.26039	0.4
198.14880	31.1
198.16707	1.0
199.13322	2.8
224.16434	14.1
224.18164	0.4
225.14839	8.2
242.17480	83.2
242.24492	3.0
290.26965	0.9
439.38974	0.6
487.41034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42296	1.3
69.07087	10.1
79.05486	2.4
81.07057	6.0
83.08602	2.1
86.06039	1.4
87.64946	1.2
88.07589	1.8
89.57368	1.3
91.04535	1.3
93.07046	6.5
95.08628	6.1
97.06525	6.3
100.07629	1.4
107.08617	8.6
109.10168	2.1
111.08070	3.5
111.11710	1.7
114.09177	1.6
121.10128	3.0
135.11702	26.2
142.82361	1.5
152.14352	19.3
153.12782	11.3
163.11241	2.2
170.15469	5.8
198.14873	34.3
198.16484	2.2
199.13315	1.9
224.16417	9.7
225.14844	6.5
242.17503	88.1
262.67575	1.5
280.25110	1.4
333.80676	1.6
369.44095	1.6
487.19348	1.5
487.35104	4.5
487.41095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88343	0.7
55.05515	1.3
57.03457	0.9
57.07077	1.1
67.05506	3.2
69.07079	10.1
71.05003	0.9
77.59911	0.6
79.05488	1.3
81.07050	3.9
83.08617	2.9
85.06568	0.8
86.06028	0.8
88.07624	1.6
93.07027	3.3
95.08616	3.8
97.06545	3.8
99.04472	1.3
100.07632	1.1
104.07092	1.0
107.08594	4.3
109.10166	2.9
111.08089	2.8
111.11703	2.9
114.09200	3.4
121.10139	1.0
128.93663	0.8
135.11691	24.8
143.71280	0.8
146.90114	0.7
152.14317	20.1
153.12737	13.4
163.11142	3.3
170.15424	4.4
171.73392	0.7
180.13875	2.5
181.12273	1.3
188.62430	0.6
198.14883	35.9
199.13371	3.1
210.11118	1.1
224.16440	14.5
225.14923	5.3
242.17482	82.4
242.24762	3.0
423.18027	0.7
487.41043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03430	1.2
57.07078	1.8
60.44374	0.8
67.05493	3.7
69.07062	9.2
77.18201	0.8
79.05492	1.7
81.07059	4.7
83.08627	1.7
85.02910	0.8
85.06535	1.2
88.07632	0.8
93.07037	6.7
95.08609	3.9
97.06522	4.9
99.08104	0.7
100.07607	3.7
104.07088	0.9
107.08597	7.3
107.92907	0.7
109.10154	3.8
111.08092	1.7
111.11713	3.5
114.09207	2.6
116.83981	0.8
119.08610	0.8
121.10130	0.7
131.08539	1.1
135.11696	25.2
145.10162	2.8
152.14348	20.6
153.09351	0.8
153.12737	14.7
155.26596	0.7
163.11208	3.2
170.15367	8.0
180.13841	4.0
181.12250	1.1
197.11737	7.1
198.14883	33.7
199.13339	3.3
224.16455	15.3
224.23805	0.9
225.14851	6.8
242.17493	77.4
242.24580	2.5
273.18527	1.5
371.13156	0.8
379.43738	0.9
384.90906	0.8
388.10019	0.8
487.41037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45487	0.5
56.92090	0.5
57.03437	1.3
65.09058	0.7
67.05503	4.3
69.07072	10.4
71.08607	0.8
79.05483	1.4
80.62491	0.7
81.07068	4.3
83.08643	3.0
85.06589	0.9
86.06079	1.1
88.07613	1.6
93.07024	5.2
95.08607	4.0
97.06521	5.9
99.04442	0.8
100.07621	1.7
104.07116	1.0
107.08601	6.4
109.10178	1.6
111.08081	1.8
111.11727	3.7
114.09207	2.8
121.10111	1.0
135.11694	28.1
142.62814	0.7
145.10124	1.5
152.14334	19.6
153.12723	11.8
163.11168	1.7
170.15335	8.3
180.13863	4.9
181.12238	1.1
198.14893	37.8
198.16727	1.5
199.13327	1.5
221.44461	0.7
224.16451	13.0
225.14906	8.7
240.25574	0.8
242.17499	83.5
242.24796	2.8
487.41095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1339
Annotation	Lamellarin Z
Peak:m/z	Relative Intensity
54.74752	0.6
56.35427	0.7
69.57386	0.7
103.16827	0.7
108.02084	1.0
122.82415	0.8
137.07002	0.8
141.05408	1.6
151.03912	88.6
151.05011	6.4
174.65181	0.8
182.78130	0.7
194.39850	0.8
205.34184	0.8
280.06055	1.6
297.16586	1.1
308.09186	17.8
308.12497	1.3
320.09256	5.4
321.09930	1.3
323.07849	13.1
336.08600	9.7
336.12311	7.1
338.10175	33.0
340.08102	3.9
350.06580	1.1
352.15414	1.0
353.15756	1.0
360.11435	1.0
364.08163	45.8
368.07529	1.4
389.12473	5.2
402.09433	1.1
458.08557	3.4
473.10992	14.6
488.13290	100.0
488.19229	5.0
488.25003	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1339
Annotation	Lamellarin Z
Peak:m/z	Relative Intensity
50.55433	0.7
50.67871	0.7
55.08214	0.8
58.06565	0.7
59.08426	0.8
61.65036	0.7
68.77452	0.9
97.02878	2.1
124.24100	0.9
137.05910	0.8
155.04041	0.9
188.03368	0.8
201.05412	1.3
214.47594	0.9
290.07974	1.8
302.07971	2.1
304.05692	1.1
306.07892	3.6
307.08057	1.0
308.09180	1.9
318.07529	16.3
319.08221	8.9
320.09158	11.9
322.10641	6.3
323.10977	1.0
334.10663	25.4
335.11176	5.3
338.10889	1.4
384.08536	1.3
386.09738	0.9
412.07556	1.0
426.09570	1.8
427.10382	1.1
428.10547	1.3
430.08868	4.9
438.09769	3.7
444.10397	5.7
445.11829	1.1
456.10101	6.8
458.08447	14.4
460.13904	8.5
470.12039	1.3
472.09384	6.3
473.10532	2.0
488.12982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
61.02924	0.4
66.92123	0.2
69.03419	1.3
75.77546	0.2
76.73143	0.2
81.03434	0.4
85.02904	5.7
87.96443	0.3
88.03986	0.4
91.03958	0.3
97.02896	1.5
99.04446	0.3
109.02908	0.4
127.03915	1.4
131.23015	0.3
134.03186	0.3
137.38869	0.3
139.13370	0.3
175.03874	0.6
178.04961	0.5
184.15646	0.3
207.06581	1.2
268.95193	0.3
280.09680	0.3
296.33707	0.3
305.90021	0.3
308.08932	1.0
310.64972	0.3
311.07880	14.4
311.11499	0.5
320.09103	0.6
324.08835	0.4
326.10208	100.0
334.10547	0.3
488.14548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98522	0.7
52.84918	0.6
56.29564	0.7
59.83736	0.7
68.73027	0.7
77.38824	0.7
85.73946	0.7
88.33781	0.8
103.42765	0.7
103.51586	0.8
111.59161	0.7
197.12715	0.8
279.08548	1.1
280.09201	1.4
296.05560	2.9
308.09238	1.2
311.07886	29.2
326.10214	100.0
334.10632	0.9
386.68280	0.8
403.71515	0.9
466.84073	0.9
472.13809	1.5
488.15649	52.2
513.11847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
82.68536	0.8
92.20918	1.1
137.06015	0.9
177.05600	0.8
231.15343	0.7
265.07388	3.1
267.07205	0.8
278.08377	1.2
279.08768	1.6
280.09686	57.5
294.11411	5.4
306.08240	0.9
307.08716	1.7
308.09164	87.7
309.09961	1.4
311.07825	11.7
319.08517	1.4
320.09183	8.6
322.10947	1.6
326.10236	51.1
334.10965	1.3
336.12326	3.6
354.98318	1.0
433.75198	0.8
444.14893	1.2
456.14453	1.2
458.12332	3.8
472.14240	3.6
473.14896	1.2
488.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01699	0.6
58.85480	0.6
59.27335	0.6
64.34607	0.6
70.02498	0.7
113.00803	0.7
320.09134	1.6
331.08188	0.9
334.10883	1.1
336.12146	1.6
343.12143	0.9
346.10590	5.0
372.08652	10.7
374.10211	60.5
375.11014	1.3
386.10242	3.2
388.07962	3.6
388.12241	1.0
389.12622	7.8
390.13458	1.5
398.10211	0.9
402.09686	27.3
403.10574	5.3
416.11197	6.8
418.12878	13.7
428.14990	1.3
430.13016	1.3
444.14813	1.6
458.13773	4.8
460.17456	1.0
472.15256	4.0
488.17203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25556	1.1
61.00812	2.2
63.02391	1.4
66.10789	1.1
72.94872	1.0
86.01604	1.7
97.85276	1.3
114.03448	1.8
119.04943	2.1
121.06478	13.7
134.73036	1.1
147.04454	6.2
172.03885	2.0
175.03876	22.6
177.05779	1.3
201.05547	2.4
207.06526	29.5
249.80663	1.2
294.11206	10.2
308.09048	6.4
318.07828	1.5
319.08551	1.5
320.09082	8.3
321.09634	1.7
322.10751	12.6
323.11575	31.0
324.12393	6.6
334.10733	4.9
336.12302	7.2
337.12589	9.7
338.13794	85.7
369.31030	1.3
427.14374	1.6
430.13019	6.3
440.11633	1.6
444.14471	20.3
456.14304	17.3
458.12262	26.4
472.13965	36.8
473.14758	12.3
488.17117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51205	0.4
57.12956	0.4
58.06590	0.5
79.60226	0.5
93.07055	0.6
93.75043	0.6
104.68514	0.6
192.40694	0.6
203.62651	0.5
225.42566	0.5
252.47133	0.6
292.09671	5.3
294.11163	3.4
308.09363	2.0
318.07327	1.0
320.09158	100.0
321.09933	3.6
322.10812	4.3
323.11502	11.6
334.10809	2.1
335.11188	2.5
336.12198	13.3
338.09927	1.1
338.13870	25.8
350.13895	1.1
351.14240	4.1
352.11780	0.8
368.12793	0.9
414.13840	0.7
444.14157	1.3
458.12311	0.9
472.14114	0.8
488.16934	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45484	0.6
65.21841	0.6
66.41373	0.6
69.38600	0.6
74.32600	0.6
93.67295	0.6
97.94514	0.6
101.75744	0.6
101.91821	0.7
105.98392	0.9
121.06520	3.2
123.15183	0.7
130.60811	0.7
143.54829	0.7
197.37354	0.6
201.05450	1.2
218.14226	0.8
290.08560	0.8
294.11078	5.8
301.36371	0.8
306.07825	0.7
308.08862	3.7
319.08432	1.4
320.09134	6.7
322.10651	7.2
323.11597	16.4
334.10745	4.2
336.12354	1.3
338.13837	47.6
368.13174	2.5
427.14005	1.2
430.12915	8.1
440.11407	1.4
443.13782	1.3
444.14490	29.7
454.12790	1.1
456.14520	19.6
458.05991	0.9
458.12338	26.9
472.13928	48.1
473.14731	17.0
488.17093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28621	0.3
55.18613	0.4
58.80299	0.4
62.14752	0.4
70.20055	0.4
85.02862	0.5
89.33568	0.4
99.09535	0.4
102.37885	0.4
119.08544	0.8
121.06480	0.5
129.63052	0.4
133.10100	0.5
136.48277	0.4
149.02267	0.5
151.40254	0.5
161.09560	0.8
164.07074	0.6
165.09032	0.5
179.10600	0.5
193.10468	0.4
292.09589	5.0
294.11023	0.5
308.09335	0.5
318.07623	1.0
320.09164	100.0
321.10022	2.9
322.10651	2.1
323.11566	2.6
326.09354	0.6
334.10849	0.8
336.12210	7.0
338.13831	8.5
351.14508	0.7
386.04813	0.4
450.09323	0.5
471.86612	0.5
472.13953	0.7
488.17093	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64575	0.8
61.00798	1.2
62.01609	1.2
74.01581	0.7
86.01552	1.0
106.24338	0.8
112.74060	0.8
114.03408	1.6
172.03908	0.9
188.11324	0.9
191.05304	0.8
235.06180	0.8
281.50055	0.8
294.11252	6.5
304.49429	0.7
306.11279	1.2
308.09134	4.2
308.12863	3.8
320.05228	0.9
320.12488	1.0
322.10699	12.3
323.11502	18.5
334.10818	1.0
336.12286	11.0
337.13025	12.9
338.13837	60.9
350.55261	0.9
352.15427	34.8
427.14267	1.7
430.12747	6.9
438.12939	1.0
440.11331	3.2
443.13660	1.6
444.14450	29.8
454.12708	1.4
456.14481	14.9
458.12375	27.4
459.13367	1.1
472.13928	50.8
473.14792	15.2
488.17014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96777	0.6
53.23675	0.5
61.42875	0.6
81.07053	0.9
83.75444	0.6
89.47269	0.6
91.42700	0.6
114.94646	0.7
164.07089	1.0
249.29422	0.8
263.09409	0.9
290.08069	0.9
291.08920	6.6
292.09686	0.7
293.10855	0.7
306.07703	0.8
319.08423	1.1
320.09286	3.0
321.09903	3.6
322.10751	2.5
326.11472	0.7
334.10666	5.3
336.08823	1.7
336.12207	8.3
338.13965	0.8
426.13284	1.2
427.14301	1.3
430.12827	8.3
442.13516	1.2
443.13907	1.1
444.14462	25.1
448.69250	0.7
456.14825	8.3
458.12378	26.0
459.13092	1.6
472.13925	46.7
473.14767	18.1
488.17151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98337	0.3
54.43504	0.4
54.98552	0.4
57.03455	0.4
58.06590	0.8
59.00495	0.4
60.31789	0.5
72.08140	0.5
75.52525	0.5
78.10419	0.4
82.62064	0.4
85.02906	1.1
97.92123	0.4
103.03948	0.6
129.32217	0.5
131.04939	0.8
133.06512	0.8
135.04489	1.0
137.05992	0.6
140.58058	0.5
145.06485	0.5
149.05992	5.4
153.06779	0.4
161.05997	2.8
173.06062	0.8
177.05452	7.0
177.07855	0.6
178.08624	1.6
181.06557	0.8
187.03949	0.7
188.07072	20.1
188.08690	0.9
189.05498	0.9
189.07845	7.2
190.08673	3.0
190.37001	0.5
199.07591	2.3
203.07077	1.8
206.08130	22.5
227.06892	0.5
265.08600	0.5
276.07895	0.8
289.08609	2.1
301.08597	0.6
311.11661	0.9
326.10181	1.8
326.13940	5.9
339.14703	0.9
361.10568	0.6
368.14908	0.9
380.15018	0.6
398.15906	2.6
404.89496	0.6
410.15967	7.5
410.95709	0.5
428.16977	11.1
470.18002	0.9
488.19177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98337	0.3
54.43504	0.4
54.98552	0.4
57.03455	0.4
58.06590	0.8
59.00495	0.4
60.31789	0.5
72.08140	0.5
75.52525	0.5
78.10419	0.4
82.62064	0.4
85.02906	1.1
97.92123	0.4
103.03948	0.6
129.32217	0.5
131.04939	0.8
133.06512	0.8
135.04489	1.0
137.05992	0.6
140.58058	0.5
145.06485	0.5
149.05992	5.4
153.06779	0.4
161.05997	2.8
173.06062	0.8
177.05452	7.0
177.07855	0.6
178.08624	1.6
181.06557	0.8
187.03949	0.7
188.07072	20.1
188.08690	0.9
189.05498	0.9
189.07845	7.2
190.08673	3.0
190.37001	0.5
199.07591	2.3
203.07077	1.8
206.08130	22.5
227.06892	0.5
265.08600	0.5
276.07895	0.8
289.08609	2.1
301.08597	0.6
311.11661	0.9
326.10181	1.8
326.13940	5.9
339.14703	0.9
361.10568	0.6
368.14908	0.9
380.15018	0.6
398.15906	2.6
404.89496	0.6
410.15967	7.5
410.95709	0.5
428.16977	11.1
470.18002	0.9
488.19177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39437	0.5
58.06616	1.1
61.15898	0.5
75.18452	0.5
83.65352	0.6
85.02922	0.8
89.02656	0.6
106.27176	0.6
127.80979	0.6
134.66789	0.6
148.70378	0.6
177.05472	0.7
188.07111	3.5
190.08751	0.8
206.08165	4.8
221.82344	0.6
280.13315	1.2
296.09283	0.7
310.07758	0.7
310.10727	34.0
311.11496	80.3
324.12381	3.6
325.12833	1.5
326.13828	58.6
362.54721	0.7
398.15833	5.0
470.18149	0.9
473.16684	1.5
488.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11573	0.8
58.06616	1.2
104.11586	1.0
123.14938	0.9
149.06010	1.3
163.60986	1.0
174.88893	0.9
181.55750	1.1
183.73688	1.0
188.07010	2.0
190.08630	100.0
258.03445	1.1
274.07224	1.0
320.09360	1.8
326.13867	92.5
340.22055	1.1
342.13556	1.2
356.14978	1.5
358.08716	1.4
488.19138	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11573	0.8
58.06616	1.2
104.11586	1.0
123.14938	0.9
149.06010	1.3
163.60986	1.0
174.88893	0.9
181.55750	1.1
183.73688	1.0
188.07010	2.0
190.08630	100.0
258.03445	1.1
274.07224	1.0
320.09360	1.8
326.13867	92.5
340.22055	1.1
342.13556	1.2
356.14978	1.5
358.08716	1.4
488.19138	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.4
72.08186	0.3
76.00911	0.3
77.16135	0.3
80.55186	0.4
85.02911	2.0
90.53165	0.3
102.09347	0.3
103.03947	1.3
113.34709	0.3
125.01724	0.3
133.06485	0.7
135.04453	1.6
145.06561	0.4
149.05948	4.8
159.04405	0.7
161.05942	3.2
173.06050	1.4
175.06186	0.3
175.07555	0.5
177.05421	6.6
177.07811	0.6
178.08699	0.5
181.06540	0.7
185.06006	0.4
187.03935	1.6
188.07065	20.5
189.05518	1.2
189.07832	7.8
190.08582	4.3
199.07588	1.9
203.07024	2.8
206.08116	24.9
215.06963	0.3
227.07097	0.8
245.08115	0.8
263.09177	0.5
274.28326	0.3
276.07843	0.7
277.08621	1.3
279.10123	0.4
285.08997	0.4
289.08447	3.4
291.10287	1.3
291.63776	0.4
301.08514	0.8
303.10315	0.3
307.09622	1.2
311.11411	0.8
319.09647	0.6
320.12744	0.8
326.10229	2.6
326.13934	5.3
339.14777	0.6
339.88370	0.4
368.14932	1.9
379.11838	0.5
380.15115	0.4
392.15005	1.8
398.15781	2.4
410.15964	8.4
428.17017	11.5
452.16827	0.5
454.14551	0.5
455.16022	0.4
470.18433	2.2
488.19165	100.0
510.16638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39297	0.8
58.06601	1.3
70.68034	0.8
134.99962	1.0
149.06029	1.2
165.42300	1.0
186.39168	0.9
188.07111	7.0
189.07753	1.8
190.08617	1.7
198.47505	1.0
206.08073	8.0
280.13345	1.4
303.10202	1.1
310.10712	33.0
311.11502	80.7
324.12311	3.6
325.12622	1.9
326.10144	58.7
326.13846	82.4
398.15781	3.8
473.16455	1.3
488.19513	100.0
489.50912	1.1
504.87704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34671	0.9
68.94909	1.0
81.07017	0.8
85.29303	0.8
97.99383	0.8
168.58665	1.0
243.15929	1.9
346.10901	1.4
353.69327	0.9
358.10785	1.2
374.10202	61.2
375.11224	1.2
390.13281	6.9
398.10068	1.6
416.11185	10.9
426.16922	3.5
428.56494	1.0
430.16571	3.7
440.15094	3.7
444.18222	13.6
454.16455	6.6
458.15851	13.6
470.19705	3.5
472.17612	16.7
473.18475	3.7
488.20700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68235	0.6
55.65136	0.7
58.06607	0.8
81.07053	1.1
90.48673	0.6
92.21555	1.1
95.08654	0.8
119.08596	1.0
122.60280	0.7
126.30698	0.9
141.72009	0.7
148.93173	0.8
153.90343	0.8
171.29778	0.9
289.00192	0.7
290.08115	6.5
292.09616	3.1
302.08249	1.5
304.05939	7.1
318.07648	7.9
319.08411	44.1
320.09116	5.2
321.09973	5.3
334.10736	100.0
336.12335	22.3
338.13821	1.0
488.20731	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	0.8
58.06623	1.2
69.35908	0.8
72.76064	0.8
73.29626	0.8
76.33571	0.9
82.41519	0.8
84.21533	1.0
85.06371	0.9
97.73016	0.9
121.06509	1.1
134.13780	1.0
147.04591	1.1
170.17009	1.1
292.09427	1.3
310.10623	4.0
320.09305	8.1
321.09760	5.5
334.10846	2.2
336.12250	12.1
338.10199	1.3
407.10684	1.2
412.14835	1.3
426.17072	2.4
427.17825	1.2
430.16324	11.6
444.18259	28.8
454.16559	1.5
456.18533	10.4
458.16101	31.0
472.17761	43.9
473.18628	13.6
488.20953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81295	0.6
56.85373	0.5
57.48135	0.5
64.11675	0.7
73.89030	0.6
80.25714	0.6
92.78915	0.6
96.95596	0.7
121.06528	0.7
164.06992	1.0
170.93602	0.7
194.01215	0.6
213.50453	0.6
240.08026	0.7
248.62596	0.7
292.09705	8.6
304.09558	0.9
306.07770	3.3
320.09122	12.0
321.09921	34.0
334.10791	0.9
336.12268	100.0
457.80630	0.6
457.87271	0.7
488.20764	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03001	0.4
65.93901	0.5
93.82811	0.6
120.91207	0.5
148.23207	0.5
166.06415	0.5
191.14529	0.5
276.16687	0.5
292.09692	9.9
304.09656	1.2
306.07611	3.2
320.09180	13.3
321.06128	1.0
321.09946	30.8
327.89197	0.6
336.12277	100.0
338.32791	0.5
373.21399	0.5
394.73859	0.5
488.20694	64.7
505.48947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73409	0.6
59.45102	0.8
63.36803	0.5
95.51401	0.6
96.25822	0.6
101.57757	0.6
174.36977	0.6
285.80917	0.7
290.08145	7.1
292.09674	2.6
302.08011	1.5
304.06110	5.2
318.07651	8.8
319.08398	44.1
320.09198	8.8
321.09961	7.7
334.10724	100.0
336.12286	22.3
338.13861	2.5
428.10544	0.9
430.09293	0.8
488.20663	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38135	0.4
53.32170	0.4
67.05527	0.5
68.34550	0.5
69.07080	0.8
71.06287	0.5
73.55031	0.4
82.74023	0.4
84.28705	0.5
84.98096	0.5
123.19444	0.5
135.11723	2.0
152.14355	1.8
153.12825	0.6
166.23047	0.5
179.47115	0.5
198.14888	2.2
199.15253	0.8
242.17433	5.0
243.17863	4.6
320.08981	0.9
346.10745	5.2
357.13678	0.7
360.08682	2.0
370.14532	0.8
370.44693	0.5
371.11465	2.4
374.10190	36.7
375.11066	2.8
376.11874	2.2
384.12360	2.7
385.09470	2.7
388.11844	1.8
389.12573	4.0
400.11636	2.2
402.08868	7.7
402.13535	4.8
410.17685	0.6
412.11676	5.2
416.15250	0.9
428.18591	4.1
430.12427	22.7
444.18021	2.8
456.18094	5.6
458.16022	7.5
472.17667	2.8
488.20667	100.0
488.41251	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03001	0.4
65.93901	0.5
93.82811	0.6
120.91207	0.5
148.23207	0.5
166.06415	0.5
191.14529	0.5
276.16687	0.5
292.09692	9.9
304.09656	1.2
306.07611	3.2
320.09180	13.3
321.06128	1.0
321.09946	30.8
327.89197	0.6
336.12277	100.0
338.32791	0.5
373.21399	0.5
394.73859	0.5
488.20694	64.7
505.48947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86691	0.3
104.90428	0.4
121.06422	0.5
234.09694	0.4
254.63785	0.4
278.08173	2.6
279.08395	3.7
280.08759	3.2
291.95999	0.4
294.11243	11.2
306.07657	2.8
306.11212	2.5
307.07959	6.1
308.08725	9.9
309.09341	0.6
319.08347	0.6
320.09116	4.7
322.01114	0.4
322.10730	13.8
323.11511	33.0
334.10843	2.2
336.12399	1.8
337.12933	0.6
338.13840	100.0
352.15588	2.7
427.14017	0.5
430.12949	1.6
444.14432	5.1
456.14569	2.9
458.12338	5.2
471.21924	0.4
472.13782	7.9
473.15024	3.0
488.16757	24.9
513.60895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86691	0.3
104.90428	0.4
121.06422	0.5
234.09694	0.4
254.63785	0.4
278.08173	2.6
279.08395	3.7
280.08759	3.2
291.95999	0.4
294.11243	11.2
306.07657	2.8
306.11212	2.5
307.07959	6.1
308.08725	9.9
309.09341	0.6
319.08347	0.6
320.09116	4.7
322.01114	0.4
322.10730	13.8
323.11511	33.0
334.10843	2.2
336.12399	1.8
337.12933	0.6
338.13840	100.0
352.15588	2.7
427.14017	0.5
430.12949	1.6
444.14432	5.1
456.14569	2.9
458.12338	5.2
471.21924	0.4
472.13782	7.9
473.15024	3.0
488.16757	24.9
513.60895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81898	0.4
59.19168	0.5
60.97160	0.4
68.20453	0.5
111.83657	0.5
118.04615	0.5
119.22044	0.5
184.60167	0.5
249.47202	0.6
278.07803	0.7
292.09619	8.9
304.09570	0.9
306.07599	3.2
308.12576	0.6
320.09131	13.4
321.09943	31.8
322.10791	0.6
336.12274	100.0
338.13589	0.9
451.46091	0.6
488.20819	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	0.8
58.06623	1.2
69.35908	0.8
72.76064	0.8
73.29626	0.8
76.33571	0.9
82.41519	0.8
84.21533	1.0
85.06371	0.9
97.73016	0.9
121.06509	1.1
134.13780	1.0
147.04591	1.1
170.17009	1.1
292.09427	1.3
310.10623	4.0
320.09305	8.1
321.09760	5.5
334.10846	2.2
336.12250	12.1
338.10199	1.3
407.10684	1.2
412.14835	1.3
426.17072	2.4
427.17825	1.2
430.16324	11.6
444.18259	28.8
454.16559	1.5
456.18533	10.4
458.16101	31.0
472.17761	43.9
473.18628	13.6
488.20953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06334	0.4
75.63103	0.5
81.07069	0.8
81.31359	0.5
101.59714	0.6
106.43068	0.5
119.13525	0.6
139.22801	0.5
147.00510	0.6
292.09650	10.1
304.09769	1.3
306.07639	3.7
320.09195	10.6
321.09958	33.9
336.12302	100.0
338.13800	0.8
348.59933	0.6
488.20734	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06924	0.2
53.16105	0.2
54.53320	0.2
55.00296	0.3
55.80386	0.3
56.77658	0.2
74.32085	0.2
74.87727	0.3
79.43176	0.2
81.07034	0.3
107.04991	0.3
109.06455	0.4
119.25730	0.3
167.28423	0.3
194.80649	0.3
291.19629	0.4
292.09641	12.1
292.12875	0.4
304.09491	2.0
306.07532	3.7
320.09137	16.6
321.09921	30.1
322.10123	0.5
334.10568	0.4
336.12265	100.0
338.13840	0.6
357.54562	0.3
488.20743	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25810	0.4
60.97937	0.4
71.61552	0.4
79.05471	0.8
80.70456	0.4
81.07023	0.7
87.35313	0.4
120.48949	0.5
121.06456	0.6
194.04514	1.7
277.21603	0.8
292.09686	9.7
300.07297	0.5
304.06168	0.5
304.09671	2.9
304.82645	0.5
306.07739	4.1
318.07404	0.7
319.08270	3.4
320.09137	12.5
321.09943	32.2
334.10654	7.4
336.12268	100.0
488.20660	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86691	0.3
104.90428	0.4
121.06422	0.5
234.09694	0.4
254.63785	0.4
278.08173	2.6
279.08395	3.7
280.08759	3.2
291.95999	0.4
294.11243	11.2
306.07657	2.8
306.11212	2.5
307.07959	6.1
308.08725	9.9
309.09341	0.6
319.08347	0.6
320.09116	4.7
322.01114	0.4
322.10730	13.8
323.11511	33.0
334.10843	2.2
336.12399	1.8
337.12933	0.6
338.13840	100.0
352.15588	2.7
427.14017	0.5
430.12949	1.6
444.14432	5.1
456.14569	2.9
458.12338	5.2
471.21924	0.4
472.13782	7.9
473.15024	3.0
488.16757	24.9
513.60895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86691	0.3
104.90428	0.4
121.06422	0.5
234.09694	0.4
254.63785	0.4
278.08173	2.6
279.08395	3.7
280.08759	3.2
291.95999	0.4
294.11243	11.2
306.07657	2.8
306.11212	2.5
307.07959	6.1
308.08725	9.9
309.09341	0.6
319.08347	0.6
320.09116	4.7
322.01114	0.4
322.10730	13.8
323.11511	33.0
334.10843	2.2
336.12399	1.8
337.12933	0.6
338.13840	100.0
352.15588	2.7
427.14017	0.5
430.12949	1.6
444.14432	5.1
456.14569	2.9
458.12338	5.2
471.21924	0.4
472.13782	7.9
473.15024	3.0
488.16757	24.9
513.60895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05513	4.3
56.05027	2.0
57.03436	3.3
58.06607	6.9
60.04493	1.9
67.05499	10.3
67.83205	1.7
68.05046	2.9
69.03428	3.7
69.07056	11.4
71.01363	4.1
73.02915	2.0
74.06087	11.2
79.05503	9.1
81.03423	6.6
81.07071	16.0
83.04979	1.8
83.08624	7.8
84.04503	3.1
85.02886	2.0
86.06061	11.0
88.04006	2.4
89.03361	1.5
91.05453	2.0
93.07044	12.4
95.04974	2.0
95.08598	11.3
97.02887	3.0
97.10143	3.9
98.06039	2.8
98.98493	3.2
100.03944	7.8
102.05556	3.0
105.07037	3.0
107.08598	9.2
109.06470	2.1
109.10141	2.6
110.05996	2.4
111.04435	2.2
112.03954	13.3
114.05529	56.4
116.07087	3.7
119.08564	3.4
121.10123	3.1
123.11665	2.1
125.05971	1.8
128.07018	1.9
130.04964	1.9
130.08572	1.6
133.04959	1.6
133.10098	2.0
135.11696	11.1
140.07037	2.1
142.05029	2.3
145.10068	2.8
147.11673	3.1
152.14345	3.6
153.12746	4.0
155.01038	7.5
156.06567	3.5
188.09261	2.7
192.08719	3.3
192.26036	2.0
198.12029	2.5
198.14871	7.7
199.15253	3.5
204.08649	10.0
215.12737	1.9
216.08679	16.5
218.10201	4.1
224.16423	3.6
225.16832	2.5
234.09737	8.4
237.77408	2.0
242.17479	17.0
243.17914	12.4
262.25336	2.5
292.26279	1.9
321.09653	2.6
331.01981	2.2
336.12308	12.5
337.13260	2.4
352.15485	8.2
363.76407	1.9
385.45154	2.3
392.48859	1.7
417.28076	2.0
427.54779	1.9
470.31140	100.0
488.20551	10.5
488.32068	69.6
488.41086	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05513	4.3
56.05027	2.0
57.03436	3.3
58.06607	6.9
60.04493	1.9
67.05499	10.3
67.83205	1.7
68.05046	2.9
69.03428	3.7
69.07056	11.4
71.01363	4.1
73.02915	2.0
74.06087	11.2
79.05503	9.1
81.03423	6.6
81.07071	16.0
83.04979	1.8
83.08624	7.8
84.04503	3.1
85.02886	2.0
86.06061	11.0
88.04006	2.4
89.03361	1.5
91.05453	2.0
93.07044	12.4
95.04974	2.0
95.08598	11.3
97.02887	3.0
97.10143	3.9
98.06039	2.8
98.98493	3.2
100.03944	7.8
102.05556	3.0
105.07037	3.0
107.08598	9.2
109.06470	2.1
109.10141	2.6
110.05996	2.4
111.04435	2.2
112.03954	13.3
114.05529	56.4
116.07087	3.7
119.08564	3.4
121.10123	3.1
123.11665	2.1
125.05971	1.8
128.07018	1.9
130.04964	1.9
130.08572	1.6
133.04959	1.6
133.10098	2.0
135.11696	11.1
140.07037	2.1
142.05029	2.3
145.10068	2.8
147.11673	3.1
152.14345	3.6
153.12746	4.0
155.01038	7.5
156.06567	3.5
188.09261	2.7
192.08719	3.3
192.26036	2.0
198.12029	2.5
198.14871	7.7
199.15253	3.5
204.08649	10.0
215.12737	1.9
216.08679	16.5
218.10201	4.1
224.16423	3.6
225.16832	2.5
234.09737	8.4
237.77408	2.0
242.17479	17.0
243.17914	12.4
262.25336	2.5
292.26279	1.9
321.09653	2.6
331.01981	2.2
336.12308	12.5
337.13260	2.4
352.15485	8.2
363.76407	1.9
385.45154	2.3
392.48859	1.7
417.28076	2.0
427.54779	1.9
470.31140	100.0
488.20551	10.5
488.32068	69.6
488.41086	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17182	3.0
52.46725	3.0
53.21246	3.0
55.05520	4.6
58.06593	4.1
59.53815	3.7
66.82246	4.2
69.07063	20.3
81.07072	5.3
82.44151	3.6
85.19027	3.9
88.07624	5.0
95.08613	20.0
107.08639	4.1
109.10155	24.7
173.05809	4.8
175.07596	5.2
189.08891	4.2
199.07579	4.6
201.05481	7.8
215.06927	5.1
215.10686	19.4
217.12161	20.4
219.13831	8.0
236.14943	26.4
243.10027	30.8
245.11620	9.5
247.13303	4.6
257.15643	4.1
269.15372	16.2
271.16919	5.0
275.12799	15.4
277.14178	7.7
281.15326	21.0
283.16907	6.7
284.22162	4.1
297.14752	4.2
299.16388	29.7
309.14615	6.9
325.21457	4.3
326.68542	4.1
327.15991	34.3
331.19037	19.2
337.21603	23.7
355.22745	28.4
359.18521	22.3
383.21768	5.4
397.23709	8.6
415.24780	100.0
453.30157	8.4
488.39780	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51970	1.6
63.34262	1.7
67.10239	1.9
69.07068	3.9
71.04987	13.0
74.86761	2.0
79.05511	3.4
81.07059	11.5
92.21531	3.2
93.07059	2.4
95.08594	9.1
103.34753	2.1
122.42142	2.0
199.07455	2.9
212.36671	2.3
213.09135	4.5
215.10674	2.7
217.12224	11.3
218.08241	2.3
229.08575	4.1
231.10104	4.0
233.92188	2.2
237.87236	2.1
238.60545	2.1
241.08582	15.0
242.24860	2.0
243.10170	15.5
245.11652	20.7
247.13187	2.6
255.13606	3.8
259.09479	4.0
259.17029	3.2
261.11151	3.3
269.15298	15.2
273.11160	2.9
275.12817	4.8
287.16385	13.5
297.14832	3.0
315.15891	4.7
329.17432	17.7
345.76108	1.9
347.18515	100.0
347.22742	4.0
398.52850	2.2
399.25330	9.6
488.38681	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
57.07076	5.2
58.06608	12.6
59.07387	4.0
60.08170	4.3
60.88908	0.7
63.08260	0.8
69.07057	1.0
71.08622	1.9
75.04502	1.3
75.51023	0.7
85.10231	0.9
87.04459	2.0
95.08604	1.8
99.30029	0.8
109.10117	1.0
142.13887	0.9
144.10199	8.7
208.09877	1.0
215.12827	1.2
236.14923	100.0
274.35309	0.9
286.15363	0.9
327.29059	1.4
470.38403	9.6
488.39478	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19466	0.6
55.18249	0.6
57.03461	0.9
57.07079	1.7
58.06609	12.7
59.07391	3.7
60.08163	4.9
65.97511	0.8
67.05505	1.8
68.14848	0.6
69.07067	1.1
69.24468	0.6
70.26390	0.7
71.08624	1.9
80.36098	0.7
81.07056	1.5
83.08633	1.6
85.10196	3.0
87.04485	1.7
89.09097	0.7
95.08605	5.0
97.10177	1.8
97.62811	0.7
105.05573	0.8
109.10204	0.9
113.05994	1.2
123.11699	0.8
125.09637	1.3
131.07092	1.0
144.10254	9.7
162.11243	1.0
179.65216	0.9
215.12801	7.4
220.41928	0.8
236.14915	100.0
311.18982	1.6
348.74521	1.1
368.54156	0.8
426.39606	1.0
470.38351	8.6
488.39545	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.3
61.28948	0.7
67.05489	3.0
69.07063	8.8
71.08608	0.7
79.05488	1.0
81.07047	1.0
83.08613	1.6
91.20538	0.7
93.07030	4.3
95.08617	1.3
97.06512	4.2
107.08610	4.1
108.85558	0.8
109.10133	1.9
111.08099	1.3
111.11732	3.0
121.10167	1.4
135.11703	16.9
135.97426	0.8
153.12737	5.8
217.14333	1.0
243.15907	100.0
283.53735	0.9
298.87863	0.9
392.33548	0.9
488.39481	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.0
55.60461	0.6
57.03434	0.7
67.05507	3.1
69.07069	10.9
74.65133	0.7
79.05500	1.4
81.07071	1.5
83.08628	4.1
88.07644	1.0
91.74939	0.8
93.07040	4.7
95.08600	3.4
97.06532	5.2
99.04528	0.9
107.08603	3.8
108.27553	0.7
109.10170	1.6
109.85801	0.7
111.08093	1.7
111.11707	2.9
126.38690	0.8
135.11688	17.2
153.12761	5.7
214.14360	1.7
217.14412	1.6
243.15900	100.0
307.03622	0.8
412.79242	0.9
425.84534	0.8
466.63651	0.9
488.39499	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	0.4
66.63775	0.2
70.06562	0.5
71.23363	0.2
71.47243	0.2
72.20232	0.2
77.05611	0.2
84.08105	0.5
86.09621	0.3
120.39204	0.2
129.10176	0.2
131.04935	2.3
132.05247	0.9
149.05884	0.3
162.53720	0.2
163.07457	0.5
164.07028	1.4
165.07460	0.3
176.07109	0.4
178.08572	1.9
190.08618	1.5
206.08086	0.2
216.17474	0.2
268.07367	0.4
307.08469	1.3
308.09091	0.4
309.09653	0.8
310.10574	0.3
311.11459	0.2
312.11923	0.9
320.09158	1.8
322.10721	45.2
322.90247	0.3
324.12387	0.9
326.13492	1.6
327.14166	3.5
336.12640	0.3
338.13745	0.3
348.12177	0.4
400.11871	0.4
411.16013	0.3
412.11816	0.4
413.12436	1.4
414.13223	0.9
416.15237	0.3
426.13440	2.0
428.10806	1.5
428.15067	2.0
429.12057	0.8
430.12738	3.4
431.16058	5.3
440.15054	0.9
442.12912	2.0
443.15878	0.3
444.14374	17.8
445.17575	8.8
456.14453	5.7
456.20084	0.2
457.15262	2.5
458.16089	2.7
459.15503	23.5
473.17062	10.8
474.17761	3.2
489.20172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04568	0.3
65.28465	0.4
77.59404	0.4
86.09687	0.5
137.05971	0.8
149.05901	0.6
149.47260	0.5
177.05449	15.5
190.08612	100.0
195.74832	0.4
280.09753	0.8
281.10483	4.5
282.11264	2.7
444.10065	0.6
458.16083	7.3
471.19083	19.4
489.13110	0.8
489.20154	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13228	0.4
60.01532	0.4
60.47940	0.4
89.16940	0.4
92.14294	0.4
92.21564	0.4
102.54362	0.4
104.26733	0.4
105.51181	0.4
165.09123	6.3
255.16151	0.4
264.09897	0.4
292.09860	0.5
294.11487	0.5
308.08859	0.6
308.12793	15.2
309.08337	0.6
320.09338	1.1
320.12857	3.8
321.09659	1.9
322.10724	7.8
336.12296	22.2
337.13074	33.7
339.14050	0.7
352.15436	100.0
489.20630	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71816	0.4
53.71832	0.4
58.47478	0.4
63.68996	0.5
75.61910	0.6
79.40712	0.4
105.07041	0.7
130.51274	0.6
133.06470	0.6
137.09627	0.7
150.06743	5.1
163.17122	0.6
165.09113	39.6
190.08656	1.8
239.10655	1.0
295.11520	0.6
308.12885	2.1
320.09116	5.8
321.09460	0.7
322.10614	0.7
323.11386	2.8
324.11755	3.7
334.10910	0.8
335.11710	0.9
336.12054	3.5
337.13013	4.9
338.13983	3.6
339.14224	8.8
352.15417	10.9
386.13861	0.6
404.65991	0.5
414.13367	3.1
428.15405	1.1
431.16125	2.0
444.17847	5.5
445.11667	0.9
445.17545	15.8
457.17496	8.1
459.15518	22.2
473.10767	3.2
473.17044	40.2
474.11475	1.2
474.17767	9.4
489.13959	9.4
489.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	0.4
58.25753	0.4
62.12284	0.4
62.66096	0.4
72.70116	0.4
92.21476	0.5
102.11120	0.4
161.41197	0.4
220.87383	0.4
292.09766	2.8
295.11276	0.6
306.07904	0.7
307.12161	0.6
308.12787	17.1
320.09192	2.3
320.12878	2.9
321.09900	6.7
322.10748	9.6
323.11368	2.5
324.11765	1.1
336.12286	42.3
337.13068	33.9
337.17294	0.7
338.14078	3.8
339.14209	5.5
352.15421	100.0
353.15799	1.0
377.28113	0.5
445.45810	0.6
489.20352	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22668	0.2
58.06572	0.3
107.04910	0.4
137.05966	0.4
310.09781	0.4
322.13376	0.3
323.11282	1.5
325.11813	100.0
336.11002	1.1
339.13382	0.5
340.14255	7.1
350.12497	0.3
352.10464	1.0
353.11398	1.0
353.46817	0.3
367.13074	0.3
379.08194	0.2
428.13870	0.3
443.15970	2.7
459.15503	26.6
474.17908	16.1
489.20261	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22668	0.2
58.06572	0.3
107.04910	0.4
137.05966	0.4
310.09781	0.4
322.13376	0.3
323.11282	1.5
325.11813	100.0
336.11002	1.1
339.13382	0.5
340.14255	7.1
350.12497	0.3
352.10464	1.0
353.11398	1.0
353.46817	0.3
367.13074	0.3
379.08194	0.2
428.13870	0.3
443.15970	2.7
459.15503	26.6
474.17908	16.1
489.20261	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	0.4
66.63775	0.2
70.06562	0.5
71.23363	0.2
71.47243	0.2
72.20232	0.2
77.05611	0.2
84.08105	0.5
86.09621	0.3
120.39204	0.2
129.10176	0.2
131.04935	2.3
132.05247	0.9
149.05884	0.3
162.53720	0.2
163.07457	0.5
164.07028	1.4
165.07460	0.3
176.07109	0.4
178.08572	1.9
190.08618	1.5
206.08086	0.2
216.17474	0.2
268.07367	0.4
307.08469	1.3
308.09091	0.4
309.09653	0.8
310.10574	0.3
311.11459	0.2
312.11923	0.9
320.09158	1.8
322.10721	45.2
322.90247	0.3
324.12387	0.9
326.13492	1.6
327.14166	3.5
336.12640	0.3
338.13745	0.3
348.12177	0.4
400.11871	0.4
411.16013	0.3
412.11816	0.4
413.12436	1.4
414.13223	0.9
416.15237	0.3
426.13440	2.0
428.10806	1.5
428.15067	2.0
429.12057	0.8
430.12738	3.4
431.16058	5.3
440.15054	0.9
442.12912	2.0
443.15878	0.3
444.14374	17.8
445.17575	8.8
456.14453	5.7
456.20084	0.2
457.15262	2.5
458.16089	2.7
459.15503	23.5
473.17062	10.8
474.17761	3.2
489.20172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26747	0.4
58.06547	0.6
71.38893	0.5
95.62739	0.5
107.04881	0.7
109.57771	0.5
112.33601	0.5
156.75986	0.5
197.95613	0.5
232.72829	0.5
256.24887	0.5
282.39844	0.7
325.11819	100.0
339.13437	0.7
340.14197	8.3
353.11124	1.0
443.16003	2.1
448.89807	0.5
459.15503	26.0
474.17929	16.3
489.20279	64.1
498.97665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89507	0.3
54.40076	0.3
65.60662	0.3
68.88997	0.3
82.29476	0.3
86.57823	0.3
90.35963	0.3
97.62169	0.4
130.17520	0.4
165.09106	3.4
181.14079	0.4
239.86765	0.4
257.73581	0.4
294.11230	0.6
308.12762	15.8
320.12787	2.4
322.10739	7.2
323.11566	0.5
325.48645	0.4
336.12286	21.3
337.13055	34.1
338.13745	0.4
339.14166	0.7
352.15411	100.0
459.15701	0.6
472.26053	0.4
473.17133	0.8
489.13925	0.5
489.20355	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58692	0.4
58.06546	0.8
69.30475	0.5
69.71976	0.5
86.86908	0.5
116.23191	0.5
152.82185	0.5
163.07341	0.5
277.64197	0.6
312.11725	0.6
325.11804	100.0
340.14297	7.7
405.10025	0.5
443.16110	3.1
459.15515	25.2
474.17834	16.3
489.20319	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71816	0.4
53.71832	0.4
58.47478	0.4
63.68996	0.5
75.61910	0.6
79.40712	0.4
105.07041	0.7
130.51274	0.6
133.06470	0.6
137.09627	0.7
150.06743	5.1
163.17122	0.6
165.09113	39.6
190.08656	1.8
239.10655	1.0
295.11520	0.6
308.12885	2.1
320.09116	5.8
321.09460	0.7
322.10614	0.7
323.11386	2.8
324.11755	3.7
334.10910	0.8
335.11710	0.9
336.12054	3.5
337.13013	4.9
338.13983	3.6
339.14224	8.8
352.15417	10.9
386.13861	0.6
404.65991	0.5
414.13367	3.1
428.15405	1.1
431.16125	2.0
444.17847	5.5
445.11667	0.9
445.17545	15.8
457.17496	8.1
459.15518	22.2
473.10767	3.2
473.17044	40.2
474.11475	1.2
474.17767	9.4
489.13959	9.4
489.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35001	0.4
59.06133	0.4
61.65229	0.3
61.85383	0.4
67.05495	0.5
69.03407	0.5
69.38601	0.4
79.05495	4.3
81.03422	2.1
83.04983	0.6
83.08582	0.6
90.30350	0.4
95.04327	0.4
95.04958	1.7
103.05479	1.7
103.08726	0.8
105.07036	100.0
111.04458	1.0
115.81524	0.4
116.58010	0.4
119.04943	10.3
212.16420	1.0
229.08644	1.0
256.19046	2.2
293.10168	0.6
320.09125	0.9
336.12347	0.7
430.09201	0.5
489.14670	0.9
489.22549	4.2
489.33182	1.4
489.39417	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2383
Annotation	Cytochalasin Z
Peak:m/z	Relative Intensity
56.79050	0.3
65.31818	0.3
68.63889	0.3
71.00095	0.3
112.54995	0.3
318.07648	6.7
319.08438	0.6
320.09149	2.8
321.09808	0.6
322.10501	0.5
332.09210	2.5
333.09988	7.6
334.10822	1.7
335.10986	0.6
336.12219	1.9
337.12756	2.4
432.21771	1.7
460.21359	1.5
461.24719	0.6
472.20874	0.6
489.23892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36283	1.3
53.96544	1.3
55.05516	9.6
57.03445	12.8
59.03692	1.3
59.09724	1.3
64.80022	1.7
67.05176	2.6
67.05507	33.6
69.07085	14.8
72.57674	1.3
73.02937	1.6
75.04501	1.3
79.05498	25.8
81.07063	55.9
83.08616	12.8
85.06544	1.6
91.05482	13.7
93.07044	39.2
95.04985	6.0
95.08606	49.1
97.06539	3.2
97.10152	1.7
98.98463	47.9
99.04464	3.1
105.07047	14.2
107.08596	26.6
109.06482	1.6
109.10162	19.7
111.08073	6.8
117.06995	3.6
119.08593	15.2
121.06505	2.5
121.10130	29.0
123.08060	1.4
123.11721	5.6
128.10721	2.5
131.08586	15.8
133.10138	15.0
135.11696	20.4
135.94249	1.4
137.00012	3.3
137.13261	2.9
138.09117	2.2
139.07523	8.9
141.20946	1.4
145.10095	14.9
147.04446	1.6
147.11699	8.0
149.13274	15.6
149.14270	1.6
155.01041	69.6
156.10201	6.3
157.08600	2.3
159.11682	10.7
161.13290	11.1
163.14778	5.8
171.11722	1.9
173.02354	1.8
173.13222	7.2
175.14745	2.5
177.05464	2.6
177.16455	2.4
182.11787	7.8
183.10146	21.4
187.14777	2.7
200.11107	3.0
200.12822	52.8
201.16415	1.9
229.04672	7.0
235.29532	1.6
242.24632	2.0
243.21126	11.8
261.22137	20.9
275.20096	1.9
311.85239	1.7
317.24741	9.1
335.25793	100.0
336.12228	6.8
415.22412	6.4
471.25073	28.2
489.26514	10.1
489.39154	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.1
67.05489	3.2
67.64460	2.2
81.07066	3.6
84.20633	1.9
87.59969	1.9
92.84052	1.9
93.07033	2.0
95.08586	2.1
109.10148	2.3
113.59085	2.2
149.21786	2.0
170.13795	2.1
195.09972	13.5
211.09380	20.0
236.14885	19.2
237.15262	11.4
300.04834	2.4
304.83701	2.0
305.83087	2.2
317.20898	5.1
337.18924	3.5
447.26132	2.0
487.07428	2.4
489.31772	100.0
489.39713	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.321
Annotation	Nahocol C
Peak:m/z	Relative Intensity
53.65958	0.4
66.85237	0.4
67.05499	0.6
72.38438	0.5
81.07040	0.6
81.47307	0.4
88.94855	0.4
89.03931	0.8
95.08599	0.6
109.10133	0.6
110.21981	0.6
110.29047	0.4
117.03386	8.1
125.94329	0.5
135.04436	0.6
138.26855	0.5
145.02844	51.5
149.05942	3.9
163.03909	0.5
177.05461	100.0
186.05470	0.7
210.18744	0.6
247.04037	0.5
254.64069	0.5
293.04654	0.5
295.33286	0.6
299.72955	0.5
305.73920	0.5
373.11728	0.5
489.36490	2.1
507.43042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06029	0.3
52.74936	0.3
57.29736	0.3
58.06617	0.3
60.08163	4.5
67.05482	0.3
71.07374	0.5
71.57119	0.3
77.65416	0.3
79.05485	0.4
81.07067	0.4
86.09705	20.8
88.98911	0.3
93.07010	0.3
96.56339	0.3
98.98495	0.3
104.10723	1.6
121.10143	0.5
124.99985	11.9
139.64081	0.4
166.51469	0.4
184.07326	100.0
184.79904	0.3
185.17372	0.3
220.13072	0.8
285.32458	0.4
334.10681	0.4
489.34589	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.11749	7.2
59.46849	6.1
59.67730	6.6
67.05513	14.7
69.07076	6.6
78.25810	6.8
79.05492	7.4
81.07058	30.2
83.08620	6.2
87.04482	14.1
93.07043	14.0
95.08607	71.5
95.09106	7.1
105.07034	11.1
107.08589	55.4
109.10184	32.6
119.08583	45.2
121.10156	26.5
122.68507	8.3
132.10132	6.7
133.10139	9.7
145.10156	28.0
147.11703	28.7
149.13275	10.9
158.11740	9.0
159.10147	8.0
159.11717	13.0
161.13260	30.5
163.14807	13.9
164.92761	7.0
173.13254	37.8
175.14813	17.3
185.13255	9.8
187.14856	42.8
191.14326	100.0
201.16454	8.5
203.14226	15.4
203.17934	94.8
215.17865	8.0
221.15381	17.7
224.47900	6.8
249.18446	10.9
320.09088	8.2
322.10394	7.9
327.19492	11.8
336.12097	8.0
425.19733	9.0
425.34100	33.4
453.33365	29.5
471.35004	11.7
489.24924	11.6
489.39340	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
63.46779	1.8
65.83019	2.0
67.05507	3.8
69.07068	10.5
79.05517	2.9
81.07067	2.5
83.08604	3.7
93.07043	2.3
95.08607	1.9
97.06544	3.9
103.88841	2.0
109.10148	3.5
135.11684	9.7
136.12071	3.7
154.13103	1.9
159.35625	2.0
182.15485	2.0
210.11009	100.0
243.15894	51.1
244.16232	46.4
263.42493	2.0
489.35919	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	3.6
58.67681	2.5
67.05526	2.9
69.07053	9.6
79.51697	2.2
81.07064	4.5
85.02950	2.4
91.05467	2.4
93.07034	3.0
95.08586	2.7
102.14142	2.7
109.10135	4.0
113.31392	2.2
179.59407	2.2
190.22939	2.4
210.11000	100.0
212.59041	2.2
214.02711	2.6
239.23734	2.5
239.75052	2.3
243.15869	19.6
244.16200	18.0
298.76746	2.4
401.51056	2.5
446.27686	2.6
489.36221	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
57.07084	1.6
60.44056	1.1
61.02929	4.5
61.74437	1.0
67.05505	4.3
71.08633	4.6
74.79094	1.0
81.07050	4.0
83.08607	2.0
85.02904	4.4
85.10183	2.0
95.08633	2.7
97.02898	2.1
97.10175	1.6
108.39712	1.1
109.10168	2.0
118.62045	1.1
139.64519	1.0
140.48299	1.0
210.10999	100.0
214.14394	1.4
232.22353	1.1
327.28946	4.6
380.95215	1.4
402.94815	1.1
471.38943	1.5
489.36517	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07098	0.8
67.05500	3.0
79.31598	0.6
81.07059	1.7
82.99436	0.7
83.84636	0.7
89.72044	0.7
93.07020	1.1
93.72964	0.7
95.08607	1.1
121.10170	1.0
121.35105	0.7
123.23643	0.8
155.01056	1.3
210.11014	100.0
242.93007	0.8
302.24396	1.4
304.36380	0.8
313.65707	0.8
489.36612	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39011	1.2
67.05490	2.7
69.07076	3.2
71.08647	2.0
73.02903	1.5
81.07035	2.3
83.08624	1.6
85.10188	1.5
95.08603	2.8
107.08569	1.9
109.10144	1.8
119.08624	1.5
135.11736	2.6
171.79178	1.4
210.11008	100.0
243.15923	9.0
244.16231	9.9
302.24826	1.6
308.94666	1.5
313.27234	1.8
370.12982	1.8
386.81903	1.3
489.36530	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05540	1.3
58.06601	0.7
67.05503	1.7
69.07089	1.8
73.02924	1.9
74.06085	1.1
79.05560	1.0
80.00711	0.7
81.07036	1.2
83.08639	7.1
86.06096	1.1
86.09714	1.0
88.07635	4.9
93.07060	3.8
95.08617	6.0
97.68069	0.8
99.04445	10.0
104.07136	1.2
110.09690	1.8
111.08081	7.0
115.64980	0.8
119.08605	4.1
120.56400	1.0
121.06506	1.3
128.10693	7.3
133.14693	0.8
137.09650	3.5
138.09151	4.1
139.07550	20.8
154.12309	1.0
155.10684	1.2
156.10222	10.6
157.08595	1.9
182.11765	12.2
183.10159	39.6
187.40207	0.8
200.12813	95.5
228.09109	1.2
242.24716	7.4
256.26389	1.1
312.06525	1.0
312.31070	1.1
316.22427	1.9
361.87595	1.0
441.36908	5.0
448.21570	1.4
489.33292	5.7
489.38992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3897
Annotation	Batzelladine C
Peak:m/z	Relative Intensity
55.05512	1.0
60.78386	0.7
66.35014	0.8
67.05492	1.0
73.02921	3.2
74.06081	1.8
81.07057	1.4
83.08632	5.1
85.10212	0.9
86.06085	1.3
88.07619	7.9
91.05466	0.8
93.07049	3.6
95.08620	5.8
99.04440	6.9
104.07150	1.4
105.89743	0.8
110.09665	1.6
111.08073	7.3
119.08589	4.9
119.26069	0.9
121.06519	1.9
128.10722	5.1
132.86436	0.9
137.09624	4.2
138.09172	3.1
139.07541	13.4
156.10222	8.7
157.08661	3.6
165.09122	1.2
182.11777	9.1
183.10168	31.7
188.33455	0.8
200.12814	76.4
227.04004	0.9
242.24745	13.7
256.26477	1.0
277.08237	0.9
312.86850	1.0
334.10757	0.8
397.34406	1.6
400.45975	0.9
441.36966	4.0
471.21686	0.9
489.39020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31863	0.7
65.51852	0.8
66.78119	0.8
76.55827	0.9
79.89450	0.9
81.07084	1.4
93.07073	1.2
109.10201	1.0
120.96542	1.0
130.45122	0.9
139.70204	1.0
140.37263	0.9
150.85071	0.9
208.13171	1.7
215.45683	1.1
294.77148	1.0
301.35071	1.0
457.37704	9.3
467.39966	1.1
489.40271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65382	0.6
56.54996	0.5
58.06596	3.3
78.01898	0.6
83.04985	0.8
84.08128	0.8
97.02860	0.7
99.04451	0.7
107.04967	9.5
113.22790	0.6
137.05977	1.0
141.59509	0.6
145.02846	9.3
148.19130	0.6
153.05464	1.0
169.04930	2.8
177.05461	35.6
178.08630	1.3
190.08623	6.0
191.09035	2.3
192.10162	1.0
205.10980	2.5
206.08063	1.2
216.51024	0.7
221.10484	5.9
239.07062	0.7
267.04968	0.6
270.12146	1.2
295.04752	67.9
310.07077	100.0
328.04227	0.8
328.08170	26.7
328.11682	1.4
328.15393	3.5
342.13089	0.7
369.11618	1.5
449.19803	3.2
472.20016	1.0
490.13321	45.5
490.20419	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65382	0.6
56.54996	0.5
58.06596	3.3
78.01898	0.6
83.04985	0.8
84.08128	0.8
97.02860	0.7
99.04451	0.7
107.04967	9.5
113.22790	0.6
137.05977	1.0
141.59509	0.6
145.02846	9.3
148.19130	0.6
153.05464	1.0
169.04930	2.8
177.05461	35.6
178.08630	1.3
190.08623	6.0
191.09035	2.3
192.10162	1.0
205.10980	2.5
206.08063	1.2
216.51024	0.7
221.10484	5.9
239.07062	0.7
267.04968	0.6
270.12146	1.2
295.04752	67.9
310.07077	100.0
328.04227	0.8
328.08170	26.7
328.11682	1.4
328.15393	3.5
342.13089	0.7
369.11618	1.5
449.19803	3.2
472.20016	1.0
490.13321	45.5
490.20419	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49914	0.4
55.84826	0.5
56.05402	0.4
61.13897	0.5
83.37338	0.6
85.01375	0.5
92.80306	0.6
130.48683	0.6
130.89424	0.5
145.02847	1.0
177.05492	4.7
190.05058	1.0
204.87889	0.6
206.11768	2.7
207.12018	1.3
208.12416	1.3
290.08096	7.6
302.08176	3.0
304.06018	8.2
318.07635	10.3
319.08395	55.1
320.09055	0.6
325.12451	1.1
326.13104	3.0
327.13025	1.9
328.13251	2.3
334.10721	100.0
357.19104	0.9
358.19452	1.9
373.09189	0.7
388.11301	0.6
403.12714	0.7
428.11148	0.9
456.10861	3.2
473.13358	4.4
490.16043	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.2
57.62110	0.2
58.06604	0.2
60.12474	0.2
69.69211	0.2
70.55544	0.2
71.05002	0.2
75.51625	0.2
82.68877	0.2
85.02908	0.3
147.04428	0.3
151.07564	1.7
156.04460	0.4
164.07031	2.5
165.09142	0.3
174.05502	7.7
175.06264	2.0
178.08618	15.2
192.10194	1.2
241.38559	0.2
267.08896	1.0
278.01788	0.2
278.08157	3.5
295.08383	6.9
296.09152	6.8
298.07126	3.4
311.12527	0.3
312.08762	0.4
312.11948	0.6
313.09494	15.1
313.13068	2.2
326.14044	0.2
328.11771	100.0
328.15463	27.5
333.83557	0.2
346.18661	0.2
349.48044	0.2
429.50055	0.2
490.21695	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24450	0.3
64.60382	0.3
80.48409	0.4
81.03419	0.4
84.04504	0.4
128.51051	0.4
151.07530	1.7
154.49454	0.4
156.04292	0.5
164.07028	3.3
165.09082	0.4
174.05508	6.8
175.06285	1.8
178.08627	15.3
200.51152	0.4
225.40050	0.4
230.13780	0.5
267.08951	0.5
278.08072	3.3
295.08420	5.6
296.09195	6.2
298.07056	4.6
308.92691	0.4
313.09500	14.9
313.13062	1.8
328.11752	100.0
328.15448	26.0
490.21490	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86374	0.5
67.13999	0.6
69.49397	0.6
78.58099	0.7
131.89999	0.6
164.07068	3.9
165.09094	0.9
174.05464	7.5
175.06293	2.7
178.08662	4.5
192.10167	16.5
278.08151	4.4
295.08438	5.4
296.09204	5.8
298.07065	3.9
312.12296	3.0
313.09406	13.3
313.13092	8.5
328.11752	100.0
328.15454	51.3
466.02676	0.8
490.21182	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72033	0.5
58.06615	0.7
62.42009	0.5
68.12096	0.5
70.06575	3.8
70.66444	0.5
72.08144	0.7
72.29549	0.5
74.06103	0.6
84.08144	1.6
85.02893	2.6
86.09705	4.1
97.02898	0.8
107.04963	2.8
116.07096	2.4
128.96352	0.6
131.93756	0.7
133.06079	0.7
150.09087	2.5
161.05969	1.1
164.10684	2.5
174.05505	7.7
175.06248	1.3
180.10229	1.0
190.08690	0.7
192.10077	0.8
198.11252	4.1
212.12805	4.0
216.12297	7.9
217.05139	0.6
230.13774	5.7
234.13300	0.9
249.97211	0.7
263.17508	5.8
278.08041	3.1
291.16949	1.4
295.08429	6.3
296.09146	6.0
298.07123	4.7
298.10245	0.8
311.11258	1.2
311.19717	2.8
312.08032	0.6
313.09445	15.2
328.11771	100.0
328.15146	4.2
332.56900	0.7
334.53687	0.6
339.19241	0.8
357.20142	0.8
406.23471	8.8
406.28632	1.1
411.04205	0.7
436.23904	1.0
472.26663	0.8
490.16620	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.6
81.38769	0.4
81.43401	0.4
85.08871	0.4
85.32977	0.4
99.53794	0.4
135.01825	0.5
151.07555	0.4
162.05431	0.5
165.09111	3.7
174.05476	8.7
175.06226	2.8
177.05432	2.4
178.08636	0.6
190.08636	2.9
190.27905	0.4
192.10129	0.8
208.09636	1.9
267.08847	1.0
278.08081	4.1
282.14807	0.4
295.08328	5.8
296.09070	5.8
298.07068	4.4
307.08554	0.6
312.08704	0.9
312.12326	5.9
313.09384	16.9
313.13052	19.8
323.11005	0.5
328.11737	100.0
328.15433	67.8
340.30984	0.4
400.17468	0.7
430.18167	0.4
472.19174	0.6
490.20297	42.8
507.89200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20905	0.5
54.30960	0.5
58.06606	2.5
61.93761	0.5
64.57463	0.6
69.03436	1.0
73.13578	0.5
81.03436	0.7
83.04968	0.6
85.02895	1.1
129.34117	0.7
137.06001	0.6
145.02797	4.5
149.05977	0.8
149.88049	0.5
151.07553	3.8
164.07053	17.5
174.05478	0.6
177.05466	18.6
181.06870	0.5
190.08655	10.0
191.09392	3.3
192.10181	1.2
204.98709	0.6
208.09723	1.2
228.64365	0.7
249.09088	0.8
277.08600	1.4
296.09210	1.0
307.08121	0.7
312.11551	0.7
313.09412	3.7
324.12256	0.8
325.13089	0.8
328.11804	100.0
328.15408	17.9
333.47403	0.7
338.42325	0.6
339.10992	1.4
340.15359	3.3
354.13345	1.2
358.16452	13.2
369.11832	2.8
400.16605	1.0
445.43665	0.6
490.16867	22.5
490.20386	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48776	0.2
55.59985	0.2
59.80793	0.2
71.94400	0.3
82.37353	0.3
83.57939	0.3
85.51788	0.3
145.02892	1.3
151.07588	0.3
156.04533	0.4
174.05501	8.9
175.06273	2.0
177.05441	4.3
177.07690	0.3
178.08646	2.9
192.10219	5.0
259.25391	0.3
267.08957	0.7
278.08102	3.7
295.08401	6.8
296.09186	6.3
298.07144	4.2
313.09485	14.1
328.11813	100.0
328.15387	8.9
345.17728	0.3
369.12064	0.4
490.16693	4.7
490.20837	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48776	0.2
55.59985	0.2
59.80793	0.2
71.94400	0.3
82.37353	0.3
83.57939	0.3
85.51788	0.3
145.02892	1.3
151.07588	0.3
156.04533	0.4
174.05501	8.9
175.06273	2.0
177.05441	4.3
177.07690	0.3
178.08646	2.9
192.10219	5.0
259.25391	0.3
267.08957	0.7
278.08102	3.7
295.08401	6.8
296.09186	6.3
298.07144	4.2
313.09485	14.1
328.11813	100.0
328.15387	8.9
345.17728	0.3
369.12064	0.4
490.16693	4.7
490.20837	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92841	0.9
56.77450	0.8
88.46124	0.8
114.40039	0.9
143.22479	0.8
156.78369	0.9
157.64560	0.9
164.07063	10.1
165.09067	1.3
174.05513	8.7
178.08632	2.0
182.37711	0.9
192.10222	6.9
197.17949	0.9
210.50644	0.9
278.07986	1.7
295.08466	4.6
296.09253	6.5
298.07095	3.8
312.12277	2.2
313.09396	16.0
313.13068	9.6
328.11761	100.0
328.15460	56.9
432.88766	0.9
490.21225	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14938	0.6
67.96949	0.7
70.28003	0.7
72.25251	0.8
76.86340	0.6
86.94531	0.7
95.07922	0.7
131.99475	0.9
141.01421	0.7
142.91008	0.7
150.08131	0.8
169.01601	0.7
193.58247	0.8
242.76221	0.9
248.49324	0.7
290.08072	1.8
292.09555	1.0
304.06274	1.5
304.09659	5.9
307.08493	0.8
318.07712	4.0
319.08429	6.7
320.09186	17.7
332.09161	24.4
333.09854	1.2
334.10718	16.6
335.11136	0.9
336.12326	1.2
344.09128	5.6
346.10724	6.9
359.08005	3.5
373.09387	1.0
376.08173	7.5
418.20181	1.8
428.18384	1.7
444.17923	5.5
446.19604	25.7
472.17538	28.6
490.18616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65187	0.5
52.98864	0.6
58.40821	0.4
58.68445	0.5
62.83661	0.4
76.46424	0.5
77.29923	0.6
79.81113	0.5
85.75320	0.6
137.96274	0.6
174.34917	0.6
182.66400	0.5
206.02426	0.5
236.88579	0.6
271.03455	0.5
276.10263	0.9
291.12805	0.9
292.13419	1.0
294.11343	0.8
302.31839	0.6
305.10446	0.7
320.12805	13.2
323.11682	0.7
417.11667	0.7
429.15964	1.1
431.14047	1.3
432.14294	10.5
446.16013	21.4
458.16293	7.2
459.13388	3.0
460.13885	29.3
474.15488	44.6
475.16306	19.1
490.18619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09834	0.6
188.78952	0.6
270.04233	0.6
291.12576	1.0
292.13376	1.4
304.09750	0.7
320.09201	3.7
320.12857	13.8
323.11450	1.0
334.10791	1.5
336.12399	3.6
352.15414	0.9
429.15671	1.5
430.13187	0.8
431.13770	1.1
432.14404	10.9
445.16055	0.8
446.16010	24.9
458.16290	8.2
459.13257	2.6
460.13940	31.9
474.08612	1.4
474.15448	44.6
475.16245	18.6
490.18625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17472	0.5
61.30233	0.6
72.52632	0.5
75.29726	0.5
78.70206	0.6
92.21529	0.7
101.07964	0.6
135.07562	0.7
176.07011	2.6
187.07471	0.8
189.07811	10.2
190.08589	3.4
215.07007	7.1
239.48048	0.7
241.04915	0.8
257.11618	5.8
292.09421	2.5
297.11166	1.2
318.07678	9.5
319.08118	3.0
320.09155	52.4
321.09930	4.8
322.10382	1.0
334.10724	6.4
336.12292	46.1
337.12527	1.2
338.13651	1.3
346.10867	1.3
374.09875	1.1
390.09238	1.1
444.17679	2.9
460.13406	1.0
472.16962	0.8
490.18164	100.0
519.58301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21017	0.3
68.58559	0.4
76.05756	0.4
111.95992	0.4
112.54550	0.4
113.94442	0.4
114.21229	0.4
122.63499	0.5
122.91396	0.4
123.93785	0.5
134.58081	0.4
145.59819	0.5
146.14912	0.5
276.10284	0.7
291.12576	1.7
292.13358	0.9
294.11270	0.7
304.09698	0.8
305.10333	1.7
319.08429	2.7
320.09140	4.2
320.12875	14.0
320.16513	0.6
323.11179	0.7
334.10666	5.5
336.12268	0.7
416.11374	0.7
417.11450	0.7
429.15598	1.8
430.12863	1.9
431.13611	2.2
432.14413	10.7
443.13873	0.6
444.14935	1.0
446.09927	0.9
446.15976	23.1
446.22098	0.8
458.16135	7.9
459.13098	3.5
460.13858	28.7
461.14581	0.8
474.15500	43.7
475.16309	18.8
490.18613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.65830	1.5
61.02931	4.4
67.53504	1.6
68.75233	1.5
69.03434	19.0
81.03415	8.0
85.02911	37.9
87.03267	2.0
87.04496	2.3
91.05489	8.5
96.04517	2.0
97.02892	25.2
99.04460	6.4
103.05470	2.0
108.17537	1.9
109.02885	7.5
112.03970	3.6
115.17834	1.7
119.67448	1.9
120.04478	3.9
120.08093	51.0
127.03884	18.7
128.89508	1.6
130.06532	7.2
131.04915	2.7
132.08092	58.6
143.05757	11.3
161.06827	7.1
162.09154	2.4
166.08633	29.5
178.08595	22.2
198.09180	15.0
228.10275	2.3
244.09708	24.1
246.11264	14.3
264.12274	43.2
282.13351	2.1
292.11795	50.7
310.12845	75.8
361.12549	3.7
472.18118	100.0
490.18756	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54464	0.8
55.75122	0.7
56.61599	0.9
58.06611	1.6
61.71005	1.0
66.94219	0.9
85.02889	1.6
92.21490	1.0
94.85411	0.8
127.55962	0.8
136.39174	0.9
136.57108	1.1
137.06015	1.8
146.12541	0.9
146.27841	1.0
149.05945	1.5
151.07562	5.8
162.05502	1.5
164.07062	71.8
165.09125	3.7
167.07074	1.1
177.05486	1.4
180.10260	2.2
190.08630	20.9
191.09410	6.0
192.10172	3.7
208.09723	5.0
249.09061	1.9
266.76999	0.9
277.08530	4.3
302.78741	1.1
311.11441	5.1
312.11661	7.7
313.09192	1.7
313.12332	5.0
324.12259	1.7
326.13736	4.0
327.14279	2.2
328.11746	74.3
328.15411	63.2
339.10999	3.5
340.15549	6.0
358.16476	29.1
358.20856	1.9
490.21082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81472	0.4
57.44704	0.3
58.06583	0.4
70.06623	0.5
75.99530	0.4
85.02916	0.8
88.04005	0.6
99.04485	1.1
137.06012	0.6
151.07533	6.3
155.65620	0.5
164.07039	4.1
174.05537	2.2
176.07053	2.0
177.05525	0.5
178.08633	54.4
190.08600	0.7
191.09479	0.5
192.10202	27.5
213.26768	0.4
239.51483	0.4
245.88599	0.4
278.08176	0.5
279.10132	0.5
295.08450	1.1
296.09253	1.1
298.07062	0.7
311.12851	0.8
312.12445	0.7
313.09479	4.9
313.13171	4.0
328.11774	29.0
328.15491	100.0
346.18573	2.7
444.22406	2.6
490.20801	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88968	0.5
57.49206	0.4
58.06611	1.2
63.61839	0.5
65.44724	0.4
70.06605	0.9
78.41055	0.5
85.02907	0.6
89.27613	0.5
95.15805	0.6
119.04934	0.6
131.04887	0.6
137.05956	1.3
151.07555	9.4
163.07607	0.7
164.07077	6.2
171.04520	0.9
176.07089	2.2
177.05574	1.2
178.08624	47.6
179.07024	2.4
182.11760	0.5
190.08629	12.9
191.07033	1.9
191.09355	3.9
192.10205	5.3
208.09686	10.3
242.33820	0.6
265.08728	0.7
279.10287	1.1
291.10126	0.9
303.10263	0.7
313.13181	2.1
328.11972	2.9
328.15430	57.2
382.16711	2.0
400.17496	9.7
472.19702	2.3
490.20761	100.0
508.44415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73415	0.7
52.31152	0.6
70.06597	2.0
75.27992	0.7
81.90296	0.9
99.04488	1.1
120.04468	1.3
133.79843	0.8
151.07574	5.2
174.05525	1.4
176.07152	1.4
178.08624	50.1
190.08691	1.7
190.48070	0.8
192.10191	47.1
232.33031	0.9
295.08563	0.9
296.09186	0.9
306.25616	1.1
313.09531	3.8
313.13290	3.2
328.11789	24.2
328.15500	100.0
472.71671	0.9
490.20779	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81472	0.4
57.44704	0.3
58.06583	0.4
70.06623	0.5
75.99530	0.4
85.02916	0.8
88.04005	0.6
99.04485	1.1
137.06012	0.6
151.07533	6.3
155.65620	0.5
164.07039	4.1
174.05537	2.2
176.07053	2.0
177.05525	0.5
178.08633	54.4
190.08600	0.7
191.09479	0.5
192.10202	27.5
213.26768	0.4
239.51483	0.4
245.88599	0.4
278.08176	0.5
279.10132	0.5
295.08450	1.1
296.09253	1.1
298.07062	0.7
311.12851	0.8
312.12445	0.7
313.09479	4.9
313.13171	4.0
328.11774	29.0
328.15491	100.0
346.18573	2.7
444.22406	2.6
490.20801	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91294	0.5
51.27169	0.5
58.06602	0.7
71.33324	0.6
76.23157	0.5
80.69926	0.6
85.02906	0.8
98.69199	0.6
137.05907	2.2
145.02852	3.0
145.06548	0.7
151.07533	8.1
161.06039	0.8
173.05969	1.5
175.07574	0.6
177.05457	13.1
178.08621	10.7
179.07115	3.4
180.10312	0.9
190.08624	24.3
191.07063	1.3
191.09407	6.6
192.10243	7.6
194.11755	0.9
203.07126	1.2
208.09685	19.8
215.07059	2.8
265.08545	1.2
278.09372	0.8
291.10220	2.5
297.11334	0.6
303.10202	0.8
309.11270	0.7
313.13135	1.0
321.44818	0.7
328.11801	2.7
328.15402	22.4
369.12778	1.0
382.16492	3.1
400.17477	15.9
454.18369	0.8
472.19824	4.0
490.20721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43225	0.6
58.06609	3.2
63.12838	0.6
85.98528	0.7
99.04503	1.2
108.53020	0.6
110.54684	0.8
120.04543	1.0
123.04482	0.8
127.92773	0.7
128.12526	0.7
137.05966	1.1
141.00069	1.4
150.03214	0.6
151.07541	8.8
164.07069	12.3
176.07059	0.6
178.08624	54.8
190.08644	6.2
191.09482	2.7
200.94615	0.7
208.09700	4.9
270.38882	0.7
284.12830	0.9
311.13110	0.7
312.12292	1.6
313.13132	5.2
321.07541	0.7
328.11835	5.6
328.15399	98.3
361.12491	0.7
400.17480	4.3
472.19226	0.9
490.20819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22208	0.7
58.06612	5.5
59.04038	0.6
63.98631	0.7
69.03452	1.0
81.03420	1.1
85.02907	4.9
87.04515	1.0
88.96990	0.8
95.05005	1.1
97.02840	0.8
99.04490	1.0
107.04963	87.8
121.06520	1.7
123.04417	0.9
147.04437	1.1
152.28226	0.8
153.19717	0.7
176.04782	0.9
177.05431	1.7
178.08577	6.6
190.08675	1.3
206.08142	18.1
207.06528	1.6
221.10468	80.1
222.11247	15.6
222.12944	0.8
223.07390	1.0
233.06062	0.8
248.98123	0.9
251.07098	3.8
255.10268	1.1
283.09775	3.4
285.11221	1.2
310.07162	1.5
313.13184	3.3
328.11874	1.2
328.15384	10.6
347.99527	0.8
384.16693	1.5
421.57791	0.9
490.20801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78981	1.0
58.06609	43.7
59.43283	0.9
64.14436	0.9
64.38226	0.9
72.02469	0.9
72.67709	0.9
80.91261	1.0
85.02921	1.2
92.90240	0.9
107.04974	13.9
121.06541	1.6
137.05901	0.9
145.06477	2.1
151.07523	16.3
163.07489	1.5
177.09102	1.5
178.08615	61.3
179.07022	1.1
189.09126	5.4
190.08667	11.2
191.09436	2.1
208.09692	8.3
277.55548	1.3
283.13171	15.0
285.14627	1.4
291.10226	1.3
295.04773	11.6
310.07025	16.1
313.13104	2.3
328.08151	5.9
328.11511	1.9
328.15448	51.9
328.19009	5.7
400.17996	1.1
412.17438	1.6
430.18506	2.2
490.13245	7.3
490.20703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07543	0.6
63.56530	0.7
73.80365	0.7
84.85893	0.7
139.22426	0.8
144.42838	0.8
151.07535	5.3
173.30022	0.8
174.05542	4.2
177.05602	1.1
177.07780	0.9
178.08626	48.4
192.10194	52.1
205.52527	0.7
217.56544	0.7
278.08032	1.6
295.08597	1.2
296.09198	1.1
298.07010	1.0
313.06204	0.7
313.09473	4.3
313.12915	1.1
328.11804	44.0
328.15527	100.0
490.20798	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.9
60.18336	0.3
65.25893	0.4
69.29227	0.3
70.85066	0.3
71.52586	0.3
79.97518	0.4
81.41232	0.4
95.04937	0.6
109.95298	0.4
145.02846	4.5
148.96779	0.4
151.07498	1.5
174.05470	4.7
175.06325	0.7
177.05464	20.3
177.07770	0.9
178.08656	9.6
190.08647	1.7
192.10188	100.0
267.08835	0.7
278.08112	1.9
295.08453	3.9
296.09381	3.4
298.07162	1.8
313.09473	9.6
313.12854	0.7
328.11804	55.1
328.15518	89.2
369.11923	2.1
430.38550	0.4
490.20856	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46090	0.5
58.06610	1.3
71.16016	0.6
71.60912	0.5
79.24029	0.6
85.02909	1.2
96.79333	0.6
119.27216	0.7
122.92455	0.7
131.04956	0.8
137.05984	1.2
145.02859	6.3
145.06502	1.1
151.07565	6.5
152.25313	0.7
156.89381	0.7
161.05969	1.0
163.07576	1.1
164.07021	0.8
173.05989	1.1
175.07510	0.7
177.05458	22.4
178.08617	2.6
179.07053	3.4
180.10283	0.8
190.04597	0.7
190.08615	27.1
191.07077	2.8
191.09387	8.0
192.10155	5.3
194.11789	1.2
208.09674	22.4
215.07069	2.6
288.60687	0.6
291.10245	1.2
293.11780	0.7
328.11832	6.8
328.15530	6.0
369.11911	1.1
382.16571	2.7
396.08868	0.7
400.17511	13.5
454.18515	0.8
472.19693	5.4
490.20734	100.0
509.10254	0.9
510.25433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34620	0.2
63.65162	0.2
64.95205	0.2
69.03387	0.3
76.17105	0.2
78.97792	0.2
78.98272	0.2
82.39172	0.3
85.02810	0.5
86.09653	0.2
98.19669	0.3
111.41273	0.2
122.32531	0.2
128.06950	0.2
151.07532	3.5
152.06981	0.3
163.63412	0.3
164.07004	0.5
165.09111	1.9
174.05382	0.3
176.07013	1.1
178.08614	28.5
179.10619	0.5
192.10181	25.6
226.68491	0.3
279.10089	0.3
285.36554	0.2
295.08456	0.4
296.12543	0.4
300.21442	0.3
312.12262	4.2
313.09561	0.9
313.12994	9.5
327.14621	0.3
328.11942	6.1
328.15390	100.0
374.61191	0.2
384.60202	0.3
406.23782	0.3
424.80234	0.3
462.13638	0.2
490.20718	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48011	1.6
67.05501	2.0
69.07088	2.5
79.79031	1.9
80.04999	2.0
83.08624	3.8
88.07613	2.1
95.08569	2.2
107.08621	2.7
109.10175	3.7
136.93097	9.5
154.94180	39.3
172.95222	77.3
188.18028	2.0
190.96277	34.5
192.95735	3.8
203.75482	1.9
210.96793	39.9
228.97806	45.7
234.84525	2.7
242.24763	8.1
246.98866	9.4
336.12299	60.6
393.17111	9.1
431.18951	10.3
449.19788	100.0
467.20773	25.2
472.32471	2.5
489.71075	2.3
490.25854	25.0
490.37131	12.8
510.66080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.4
57.03667	1.3
61.02924	2.6
69.03421	10.0
73.02914	20.4
73.55979	1.6
79.71998	1.5
81.07053	16.0
85.02900	20.4
87.04492	3.0
93.07043	7.7
95.08604	3.6
97.02887	21.8
105.07028	64.3
107.08650	2.7
113.11385	1.5
115.03925	15.0
119.08576	33.0
121.06503	1.5
126.81779	1.6
127.03928	6.6
131.28539	1.6
133.04977	3.8
133.10120	2.5
133.75661	1.5
145.04913	3.3
150.07588	1.7
154.95125	1.6
159.11676	9.0
161.13239	100.0
165.09113	14.8
166.09457	7.1
179.14294	12.4
190.15776	1.7
211.89882	1.6
238.55235	1.8
259.08136	3.1
287.16284	1.8
293.17224	2.3
294.84482	1.9
295.10266	11.0
305.17221	2.9
319.08438	3.3
320.08929	3.2
334.10791	7.2
336.12143	2.1
341.19476	3.8
475.11301	1.7
490.13251	6.9
490.19321	2.1
490.26303	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
57.03454	3.5
61.02924	0.9
61.37593	0.5
69.03125	0.4
69.03442	5.7
71.47413	0.4
73.02922	10.2
76.05207	0.4
81.07077	4.8
85.02905	6.8
87.04471	0.9
91.05485	1.1
93.07033	2.6
93.68324	0.5
97.02907	7.7
105.07024	10.6
107.08585	0.6
109.02799	0.6
115.03928	5.9
119.08578	6.9
127.03902	0.6
133.04974	2.5
133.10143	4.1
142.17087	0.5
145.04977	2.1
153.17914	0.5
159.11714	2.0
161.13252	100.0
163.06007	0.5
179.14264	1.1
206.21252	0.5
234.88390	0.5
259.08051	1.0
295.10074	1.0
307.08383	0.9
308.09406	0.6
319.08142	1.1
320.09048	2.8
323.18576	0.6
327.41098	0.5
334.10730	2.9
335.11087	1.9
336.08456	1.2
336.12305	1.2
472.18790	0.6
478.27954	0.6
490.14069	2.7
490.19736	2.0
490.26309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00550	0.7
55.05521	1.1
58.06608	1.2
60.08169	10.7
67.05507	1.9
69.25157	0.9
71.07349	1.4
77.15368	1.0
79.05497	2.4
80.23964	0.8
81.07078	3.9
85.33673	0.9
86.09706	36.4
93.07030	4.1
95.08611	1.9
104.10748	88.8
104.17651	1.0
104.35987	0.9
105.07044	1.0
107.08651	1.3
109.10139	1.3
112.03540	0.9
115.10910	0.9
121.06517	1.0
124.99992	18.9
145.10136	1.8
184.07338	100.0
196.35968	1.0
292.09567	1.4
308.13052	1.3
313.10327	1.0
320.09186	1.6
321.10181	2.3
334.10742	1.7
336.12479	10.9
337.12988	4.0
352.15430	6.0
385.08786	1.2
472.28378	5.8
473.14270	1.9
490.22647	3.9
490.29315	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39759	0.3
51.68429	0.3
56.58435	0.3
68.03465	0.4
70.04493	0.3
72.66131	0.3
85.15839	0.4
87.04467	8.5
105.07037	0.4
112.35231	0.4
113.34475	0.4
114.10540	0.5
120.37067	0.4
129.36592	0.4
292.09747	0.7
320.09174	1.9
321.09985	2.3
324.26874	0.6
336.12329	7.7
337.12766	0.5
338.13159	0.6
340.26279	1.5
358.27545	0.9
368.25809	13.1
386.26871	30.1
404.27954	12.8
418.70154	0.4
450.21582	0.5
472.30664	0.8
490.31619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04880	5.1
63.28999	4.9
67.05489	8.8
68.88607	5.4
69.07074	9.1
81.07073	6.9
93.07079	6.5
94.47318	5.7
107.08579	9.2
109.10165	42.3
111.98818	5.1
117.31880	5.2
123.11706	5.9
125.09653	7.1
127.11194	22.3
141.94272	4.9
142.67302	5.4
150.16426	5.0
153.12746	13.5
163.18364	6.4
185.09712	7.8
201.09071	9.2
215.10689	19.5
255.13722	11.9
269.15317	30.8
297.14951	6.8
315.15869	100.0
320.09183	24.0
322.10669	9.9
336.12283	60.0
341.28571	5.4
351.78830	5.5
354.21600	5.5
409.27451	7.1
437.26599	12.4
455.28152	39.0
490.21600	21.8
490.25262	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62674	1.4
55.05544	1.9
56.05046	2.1
58.06601	3.7
65.81594	2.3
67.05467	1.9
67.46960	1.7
68.05052	1.5
69.03411	2.0
69.07069	2.5
70.06587	11.2
72.04498	3.8
74.02156	1.6
74.06085	7.8
75.32375	1.6
79.05459	2.1
81.03413	2.9
81.07091	2.8
83.08624	7.1
84.04481	8.5
86.06070	9.3
88.07619	3.8
95.08604	2.6
96.04501	3.0
97.02889	4.6
98.06061	37.7
99.04468	2.7
100.07622	3.3
102.64711	1.7
103.03920	2.0
105.75501	2.1
109.10160	2.9
110.06023	6.8
112.07619	2.4
114.05524	2.3
115.41995	2.2
121.69257	2.1
125.53440	2.0
126.05528	2.9
129.57964	1.9
137.82022	2.2
140.07114	13.0
154.94125	4.0
161.29330	1.9
172.09674	3.7
172.95198	9.5
176.09172	3.5
190.10768	2.6
200.09155	30.5
201.11240	3.7
210.96883	3.1
211.74707	1.7
218.10207	24.5
228.97876	2.8
242.24768	10.1
266.08423	1.9
267.56763	2.0
336.12225	13.7
352.28281	8.2
393.28796	2.3
449.19492	13.1
454.31735	16.1
472.26147	3.5
472.32709	100.0
490.37814	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35536	0.3
58.84583	0.4
59.23600	0.4
88.92126	0.4
93.03135	0.4
96.37569	0.4
117.53606	0.4
127.78854	0.4
165.09081	0.6
172.50948	0.4
174.05534	1.8
187.06264	3.9
276.06583	0.6
277.07407	3.4
290.08176	2.2
302.08401	0.5
304.06021	0.8
305.06790	18.0
318.07574	10.9
319.08200	1.7
320.09076	2.4
321.09464	0.7
333.09763	0.6
334.10678	3.0
335.11096	2.2
346.10083	0.5
433.11765	0.5
445.64850	0.5
447.20050	0.8
450.04694	0.5
461.11066	2.2
463.12878	5.1
473.17935	0.9
491.12366	100.0
491.18683	5.1
518.85907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35536	0.3
58.84583	0.4
59.23600	0.4
88.92126	0.4
93.03135	0.4
96.37569	0.4
117.53606	0.4
127.78854	0.4
165.09081	0.6
172.50948	0.4
174.05534	1.8
187.06264	3.9
276.06583	0.6
277.07407	3.4
290.08176	2.2
302.08401	0.5
304.06021	0.8
305.06790	18.0
318.07574	10.9
319.08200	1.7
320.09076	2.4
321.09464	0.7
333.09763	0.6
334.10678	3.0
335.11096	2.2
346.10083	0.5
433.11765	0.5
445.64850	0.5
447.20050	0.8
450.04694	0.5
461.11066	2.2
463.12878	5.1
473.17935	0.9
491.12366	100.0
491.18683	5.1
518.85907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09783	0.4
80.24852	0.3
115.84339	0.4
165.09120	0.5
166.18515	0.5
174.05525	2.5
187.06297	2.9
241.00601	0.4
276.06506	0.6
277.07388	2.5
290.08151	1.7
304.06039	0.5
305.06790	18.2
318.07599	11.9
319.08228	0.5
320.09174	4.0
321.09454	4.2
329.61722	0.4
332.09161	0.9
333.09564	2.0
334.10745	0.8
335.11224	0.6
336.12299	0.6
345.09354	0.7
351.10733	0.6
430.18381	0.4
447.20169	3.5
461.11572	1.7
463.12857	2.6
473.17932	3.7
491.12427	100.0
491.18936	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14763	0.8
57.82749	0.8
61.39594	0.9
69.58361	1.0
70.06582	6.7
72.08131	1.0
81.03412	1.3
81.59265	0.9
85.02879	1.7
91.05474	4.9
119.04936	18.7
120.08104	1.4
147.04404	22.2
164.07088	7.8
165.07368	4.0
175.03893	67.5
179.06920	1.2
207.06520	100.0
328.15485	2.4
329.15714	7.8
351.10870	1.3
369.11835	6.2
491.21283	12.4
513.87366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14763	0.8
57.82749	0.8
61.39594	0.9
69.58361	1.0
70.06582	6.7
72.08131	1.0
81.03412	1.3
81.59265	0.9
85.02879	1.7
91.05474	4.9
119.04936	18.7
120.08104	1.4
147.04404	22.2
164.07088	7.8
165.07368	4.0
175.03893	67.5
179.06920	1.2
207.06520	100.0
328.15485	2.4
329.15714	7.8
351.10870	1.3
369.11835	6.2
491.21283	12.4
513.87366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15212	0.5
54.37225	0.5
61.03675	0.5
69.03422	0.6
70.56526	0.5
73.81447	0.6
79.46928	0.6
81.03433	2.4
85.02903	0.9
91.05495	2.7
109.02896	1.0
109.12919	0.6
119.04943	16.0
140.85023	0.6
147.04404	21.6
157.03926	1.1
175.03899	65.6
179.06973	0.7
207.06523	100.0
287.81165	0.7
339.11035	1.5
340.11334	3.7
351.10754	1.0
355.13654	2.7
357.48453	0.7
369.11774	7.7
491.19009	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21266	0.5
55.57393	0.4
69.38354	0.6
70.02947	0.9
82.68679	0.4
88.03996	24.9
150.06746	0.7
151.07617	1.9
153.09195	0.9
163.07538	0.6
165.09113	11.7
166.06306	2.3
179.07076	0.8
181.08601	5.5
183.04756	1.1
190.08627	9.5
191.07050	5.5
193.03250	2.1
193.08734	0.6
205.07394	3.2
208.09782	0.8
210.05841	0.7
220.04326	0.9
221.04901	0.8
222.05856	18.2
223.06711	3.2
224.07472	1.0
238.05324	13.8
240.06845	6.3
277.08698	0.6
282.06979	5.8
285.09363	5.8
292.06070	0.7
298.06723	1.9
299.07095	0.6
309.09128	3.6
310.09866	0.6
311.07382	0.6
313.08994	6.0
322.11761	1.0
323.07214	0.8
324.08066	0.7
338.13889	5.1
345.11490	2.5
353.16281	2.5
373.11038	2.1
381.48581	0.5
386.14334	3.2
403.47208	0.6
404.15289	10.9
446.16458	2.0
491.18463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76631	0.8
57.40279	0.8
78.01431	0.9
88.03997	25.9
102.82764	1.0
107.55873	0.8
107.57035	1.0
153.09201	1.4
165.09088	12.2
166.06270	1.3
177.07759	1.2
181.08708	5.3
187.29236	0.9
190.08665	9.7
191.07045	6.8
193.03192	1.6
205.07407	1.0
208.09877	1.4
220.04266	1.4
222.05817	17.4
223.06693	4.2
224.07417	1.0
226.38503	1.2
238.05292	13.2
240.06931	4.6
270.07449	1.2
282.07300	4.4
284.39883	0.9
285.09534	5.2
298.06598	1.7
306.10941	1.0
309.09235	1.5
313.09140	6.3
319.08975	1.0
320.09085	15.6
322.11526	1.1
324.08325	1.3
334.10544	1.2
335.11221	2.0
336.12384	3.7
338.14056	4.6
345.11676	1.8
347.97919	1.0
350.14050	1.8
353.16373	2.0
386.14355	2.1
393.11581	3.3
404.15363	11.1
491.18631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76631	0.8
57.40279	0.8
78.01431	0.9
88.03997	25.9
102.82764	1.0
107.55873	0.8
107.57035	1.0
153.09201	1.4
165.09088	12.2
166.06270	1.3
177.07759	1.2
181.08708	5.3
187.29236	0.9
190.08665	9.7
191.07045	6.8
193.03192	1.6
205.07407	1.0
208.09877	1.4
220.04266	1.4
222.05817	17.4
223.06693	4.2
224.07417	1.0
226.38503	1.2
238.05292	13.2
240.06931	4.6
270.07449	1.2
282.07300	4.4
284.39883	0.9
285.09534	5.2
298.06598	1.7
306.10941	1.0
309.09235	1.5
313.09140	6.3
319.08975	1.0
320.09085	15.6
322.11526	1.1
324.08325	1.3
334.10544	1.2
335.11221	2.0
336.12384	3.7
338.14056	4.6
345.11676	1.8
347.97919	1.0
350.14050	1.8
353.16373	2.0
386.14355	2.1
393.11581	3.3
404.15363	11.1
491.18631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21266	0.5
55.57393	0.4
69.38354	0.6
70.02947	0.9
82.68679	0.4
88.03996	24.9
150.06746	0.7
151.07617	1.9
153.09195	0.9
163.07538	0.6
165.09113	11.7
166.06306	2.3
179.07076	0.8
181.08601	5.5
183.04756	1.1
190.08627	9.5
191.07050	5.5
193.03250	2.1
193.08734	0.6
205.07394	3.2
208.09782	0.8
210.05841	0.7
220.04326	0.9
221.04901	0.8
222.05856	18.2
223.06711	3.2
224.07472	1.0
238.05324	13.8
240.06845	6.3
277.08698	0.6
282.06979	5.8
285.09363	5.8
292.06070	0.7
298.06723	1.9
299.07095	0.6
309.09128	3.6
310.09866	0.6
311.07382	0.6
313.08994	6.0
322.11761	1.0
323.07214	0.8
324.08066	0.7
338.13889	5.1
345.11490	2.5
353.16281	2.5
373.11038	2.1
381.48581	0.5
386.14334	3.2
403.47208	0.6
404.15289	10.9
446.16458	2.0
491.18463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70841	0.6
53.03971	0.8
55.82793	0.8
64.83031	0.8
66.01465	0.9
69.03411	1.1
71.04987	0.9
81.03417	4.2
84.04506	1.2
85.02892	1.3
88.03999	1.7
96.98685	0.8
97.02933	1.2
99.04463	16.5
105.99590	0.8
107.72277	0.8
116.14782	0.8
124.07667	1.1
126.05521	1.5
127.03964	1.2
134.06012	1.5
136.07562	1.0
137.05992	1.3
140.07080	1.2
145.06064	1.8
149.83572	1.0
152.07098	7.0
153.05533	1.3
154.04958	1.3
156.06636	1.2
163.03935	4.8
165.05466	0.9
168.06554	9.3
172.06110	3.2
177.05403	1.7
180.06566	5.5
182.04456	1.0
183.06488	1.2
192.06567	1.7
195.06531	4.2
196.06009	3.6
205.04851	3.4
206.08096	1.4
207.06516	4.0
210.07614	1.3
212.09261	1.1
214.07095	7.0
218.06589	3.9
222.07701	1.4
226.07114	7.0
234.07660	4.1
238.07117	6.0
270.09674	1.5
280.08322	1.8
298.09229	5.9
312.10855	1.2
316.10251	16.2
334.11304	18.1
360.82632	1.0
375.14096	4.2
393.15286	2.1
414.13852	4.8
428.15451	1.6
432.14978	11.3
473.17673	5.9
491.18744	100.0
519.22290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1873
Annotation	Compound E
Peak:m/z	Relative Intensity
50.06181	0.9
53.02446	0.8
53.03964	2.1
56.10793	0.9
58.06604	1.8
70.06591	1.1
71.04998	2.3
81.03440	7.1
83.04979	1.5
85.02923	1.1
88.04008	4.1
91.05464	1.1
97.02882	1.6
99.04453	18.1
102.05573	2.1
107.20317	1.1
121.06483	1.5
122.06016	1.3
123.04480	2.0
127.03927	1.4
136.07610	1.4
137.06021	2.2
138.05542	1.3
145.06096	1.8
147.04500	1.6
148.07687	1.2
152.07094	6.8
153.05443	4.7
156.06523	1.0
163.03925	4.2
164.07104	1.4
165.05571	1.2
166.08772	1.5
168.06540	11.0
177.05450	2.2
178.08607	1.5
180.06534	1.5
182.04503	1.4
182.08115	1.4
192.06555	2.1
192.10127	1.5
193.05043	1.7
194.04446	1.2
195.06659	1.3
206.08145	4.0
208.05969	1.9
210.07585	2.2
214.07132	6.1
225.51216	1.0
226.07103	2.5
234.07649	1.7
238.07137	2.3
238.69244	1.1
252.08641	2.0
268.08243	1.9
270.09747	7.7
272.11130	1.7
280.08313	1.4
290.12332	1.2
298.09299	6.0
316.10284	28.1
329.12375	1.8
330.11774	5.0
334.11319	38.6
375.14008	1.5
393.14853	7.8
404.12173	1.6
414.13882	2.1
428.15567	5.1
432.14938	11.2
463.75955	1.2
473.17441	13.5
491.18726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.187
Annotation	Compound E
Peak:m/z	Relative Intensity
53.03949	1.1
56.77282	0.9
60.88965	0.9
68.93484	1.0
69.03419	1.3
71.04992	1.7
81.03429	2.5
83.04960	0.9
84.04500	1.3
85.02934	1.5
88.03971	5.3
96.57098	1.2
97.02879	1.7
99.04460	19.1
101.26520	1.0
103.81525	1.1
117.05798	1.0
127.03928	1.6
141.87053	1.0
145.02829	1.4
145.04993	1.5
145.06085	2.1
146.03142	1.3
152.07094	5.4
153.05420	1.6
163.03934	4.4
165.05530	1.6
168.06586	7.7
172.06044	1.8
177.05408	9.6
178.05833	5.0
178.08586	1.6
179.06943	1.6
180.06534	2.1
182.04440	1.3
182.08163	1.6
184.06035	1.2
192.10126	13.1
193.04980	1.1
194.08081	1.1
195.06497	1.5
196.06036	1.2
205.04982	1.9
206.08035	1.2
207.06480	2.1
208.05991	1.6
210.07742	1.4
212.05472	1.4
214.07092	9.9
218.06506	1.5
226.07098	4.9
234.07736	2.3
236.05524	1.4
238.07005	4.1
252.08746	4.1
270.09772	4.6
280.08081	2.1
288.10580	3.8
298.09274	5.6
316.10260	22.2
330.11697	1.8
334.11295	34.0
375.14212	1.7
393.15054	4.4
407.05450	1.1
414.14008	6.4
428.15610	2.6
432.14816	8.3
473.17786	6.8
491.18671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15632	0.5
54.44117	0.4
54.93592	0.4
72.54002	0.5
79.66055	0.5
80.39597	0.5
81.07022	0.9
95.08607	0.7
107.08548	0.7
108.35764	0.5
109.10138	0.8
131.08516	0.6
160.96518	0.5
176.38304	0.4
185.54922	0.5
208.26196	0.6
252.29533	0.5
292.09686	11.2
304.09723	1.2
306.07446	2.8
320.09146	14.3
321.09943	33.7
322.10361	0.6
336.12271	100.0
337.12613	0.7
368.78299	0.5
428.18494	0.6
444.21680	0.8
464.84576	0.5
491.21707	55.0
506.92035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
60.31398	0.6
67.05497	0.6
69.07058	0.6
71.27906	0.6
79.05502	0.7
81.07064	1.0
81.15734	0.6
85.06480	0.6
86.09714	1.3
91.05502	0.7
93.07043	1.3
95.08607	1.3
104.10735	2.3
105.06999	0.8
105.11074	0.7
107.08583	1.3
109.10157	0.6
119.08537	0.8
125.06006	0.8
131.08595	0.7
137.09541	0.6
159.14558	0.7
184.07323	3.2
196.09412	1.0
243.04568	0.6
274.00491	0.6
292.09717	10.2
304.09589	1.2
306.07562	2.6
320.09207	12.3
321.06152	0.8
321.09946	32.2
336.12308	100.0
337.12622	1.3
352.15149	0.9
353.15680	0.6
408.81949	0.7
491.21609	53.2
491.34467	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15047	0.3
57.84127	0.3
67.05489	0.5
74.74572	0.4
81.06973	0.5
84.49194	0.4
91.05431	0.5
93.07002	0.8
95.08559	0.7
99.04473	0.4
107.08548	0.4
109.10098	0.5
133.10060	0.4
136.87923	0.4
145.10117	0.8
188.63937	0.4
292.09622	9.5
304.09326	1.3
306.07489	4.1
307.96579	0.4
320.09140	12.6
321.09937	35.9
336.12265	100.0
337.12643	1.0
377.63693	0.5
411.60989	0.5
453.55148	0.5
469.73206	0.5
491.21719	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.8
81.07046	1.4
84.27316	0.7
91.05472	1.0
93.07085	1.0
105.07021	0.9
119.08542	1.4
122.12811	0.9
127.78905	0.9
128.84564	1.0
135.11638	0.9
185.61186	1.0
246.86975	0.9
292.09558	10.8
304.09613	1.0
306.07535	4.4
319.08377	4.6
320.09137	13.0
321.09918	31.7
334.10736	8.0
336.12280	100.0
337.12616	1.2
491.21777	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26244	0.3
55.19683	0.3
58.06600	0.4
64.50547	0.3
65.62268	0.3
85.02042	0.4
85.02892	0.6
97.14249	0.4
119.04922	0.4
120.08082	0.5
137.05942	1.8
145.02818	0.7
146.03206	0.8
146.06026	0.6
151.07549	1.6
154.20900	0.3
165.05499	0.4
177.05440	3.5
177.07822	3.5
178.05760	3.0
179.07037	25.8
182.11732	0.6
192.10194	100.0
208.09787	0.5
264.10074	0.6
267.08932	0.9
280.09775	2.1
281.10593	4.2
282.11212	8.5
294.11145	0.4
456.37927	0.4
460.17633	7.8
473.20715	19.6
491.21808	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92434	0.8
53.96732	0.8
54.05209	0.9
55.01878	0.9
55.05523	10.0
57.03447	7.4
57.07086	2.6
60.90047	0.9
67.05511	43.0
69.07077	17.6
70.86101	0.9
74.80639	0.9
79.05495	12.3
81.07063	46.7
83.08617	12.6
87.48526	0.9
89.22619	1.1
89.72666	0.9
90.79548	1.1
91.05480	7.0
93.07044	15.5
95.04964	1.2
95.08614	42.2
97.06538	2.2
97.10203	1.3
98.97839	2.3
98.98470	50.4
99.08085	1.5
105.07016	4.6
107.08609	10.9
109.10161	19.8
111.08080	1.4
119.08598	7.9
121.10150	10.9
123.11678	7.6
123.22106	1.1
125.09658	1.4
133.10178	7.5
135.11696	5.0
136.99998	5.7
137.13240	1.4
147.11693	5.6
149.13254	2.1
151.14787	1.2
155.01039	59.9
161.13284	4.7
171.69209	1.2
175.14816	2.4
177.84256	1.0
189.16391	1.4
192.12444	1.0
196.20178	1.1
211.03664	4.0
229.04715	6.4
245.22723	7.6
263.23627	12.3
287.39740	1.1
312.71039	1.1
312.82941	1.2
319.26129	1.2
334.10718	2.0
336.12262	1.9
337.12418	1.6
337.27359	100.0
391.46689	1.2
473.26587	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.6
57.03437	11.4
57.07068	5.7
67.05510	43.8
69.07069	14.1
70.30756	1.1
71.08621	1.6
79.05492	14.2
81.07061	60.4
82.07384	1.3
83.08624	17.2
91.05486	8.9
93.07053	16.6
95.04941	2.8
95.08611	43.3
97.06532	1.7
97.10193	4.3
98.98469	49.4
105.07039	5.1
107.08603	15.0
109.06541	3.1
109.10147	19.5
109.25419	1.3
119.08578	5.3
121.10129	11.1
123.11702	8.1
131.08577	1.6
133.10107	8.3
135.11694	7.5
136.99991	7.6
147.11670	5.6
149.13286	5.2
151.14786	1.4
155.01039	71.3
161.13240	1.9
175.14769	1.5
185.07623	1.4
194.11523	2.3
204.60953	1.3
208.15234	1.4
211.03754	2.1
229.04834	9.0
229.83528	1.5
238.47945	1.5
245.22655	6.7
263.23676	11.1
319.26389	2.0
323.25919	1.5
334.10669	2.8
336.12210	2.5
337.12927	1.7
337.27347	100.0
473.26675	37.1
491.22296	6.0
491.33960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.4
57.03429	9.3
57.07074	2.8
57.28706	2.0
61.44670	1.7
67.05510	39.4
69.07065	17.3
79.05495	10.3
81.07061	44.7
82.22137	2.2
83.08627	18.6
87.00786	1.9
91.05472	8.1
93.07036	15.5
95.08608	49.1
97.10162	5.0
98.98466	48.0
102.42683	2.2
102.72240	1.9
107.08580	9.7
109.10148	26.5
119.08556	4.5
121.10160	10.7
123.08182	2.3
123.11721	5.3
133.10141	4.2
134.65591	2.1
135.11740	4.5
137.00024	4.6
147.11668	3.4
149.13324	2.3
155.01030	70.0
155.02226	4.4
163.14729	2.8
165.99492	2.1
217.19382	2.1
229.04732	2.6
234.10928	2.2
245.22678	10.2
263.23679	8.9
309.90845	2.6
336.12396	2.9
337.27344	100.0
338.97266	2.5
473.26480	30.0
491.26282	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
57.07079	1.5
67.05518	8.0
69.07072	2.3
71.08632	8.5
74.75495	0.8
79.05507	7.4
81.07063	9.2
83.08622	1.8
91.05489	4.1
93.07037	10.8
95.08600	7.8
99.08094	2.3
103.64471	1.0
105.07029	3.9
107.08559	7.9
109.10166	3.7
119.08523	2.3
121.10115	5.8
133.10118	1.9
135.11678	8.3
137.05936	1.6
137.09566	1.3
145.10129	1.3
149.13246	1.3
151.11183	7.6
161.13260	1.8
179.14275	20.1
197.11723	100.0
211.09616	1.2
214.64839	1.0
259.04071	1.0
277.21637	35.8
295.22818	1.1
342.02182	1.2
378.55557	1.1
473.32611	4.9
491.37457	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Phlomisin
Peak:m/z	Relative Intensity
54.31760	0.9
55.05513	6.0
55.81198	0.9
60.12841	1.0
67.05497	2.6
69.07064	5.6
79.05477	2.4
80.95116	1.1
81.07066	15.4
83.08624	5.7
91.05473	2.1
93.07044	8.1
95.08607	16.1
97.10188	1.8
99.04470	1.5
101.06013	2.8
105.07008	1.5
107.08604	8.6
109.10181	12.7
111.95119	1.2
113.09697	1.5
119.08576	6.5
121.10139	9.1
123.11691	5.7
125.09610	1.9
131.08566	1.9
133.10172	4.0
135.11691	5.4
137.09599	4.8
137.42339	1.3
139.07602	1.7
143.53873	1.2
145.10187	1.9
147.11711	1.7
149.09650	9.6
149.13258	5.1
155.08510	1.3
157.10202	1.2
159.11638	2.0
163.11179	5.3
165.09108	100.0
173.13242	1.7
175.11188	5.0
177.09125	11.0
177.12762	1.4
187.11223	2.0
189.09134	1.8
191.10663	8.4
199.11281	1.5
201.12865	1.4
203.10614	10.8
203.14307	5.8
205.12233	21.1
213.12784	1.5
217.12180	2.6
219.13815	2.6
231.13803	2.1
321.24411	2.2
326.55743	1.3
336.12256	2.8
337.12646	2.3
427.32092	5.0
473.32660	40.4
491.33865	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69642	0.4
62.74437	0.4
72.08167	5.5
75.16714	0.4
81.07068	2.0
85.06560	0.5
90.63534	0.5
95.08604	2.6
109.10155	3.0
115.02847	0.4
119.08615	0.7
123.11700	5.1
137.09605	6.3
149.13283	0.5
165.09111	100.0
201.11250	0.8
283.61642	0.5
289.02567	0.4
293.24835	0.6
298.17691	0.7
318.07758	0.5
320.09140	3.1
321.09512	1.9
334.11023	0.6
336.12405	3.4
337.12482	1.9
339.25351	4.5
349.19589	0.6
473.32410	0.6
491.19479	3.1
491.33096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23238	0.6
98.70631	0.7
104.81218	0.7
113.55370	0.7
121.06463	0.7
133.48189	0.7
146.17937	0.6
159.20001	0.6
159.31589	0.7
192.10181	2.7
197.12892	1.0
198.13182	1.3
213.85538	0.7
288.77847	0.7
291.08179	0.8
318.07516	3.9
319.08313	9.0
320.09180	5.0
321.09839	2.6
322.10590	1.5
328.11673	3.5
334.10693	100.0
336.12280	9.0
338.13757	0.8
352.85995	0.7
378.09802	0.8
454.46048	0.7
492.16318	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46003	0.7
58.06605	26.8
61.02935	0.9
64.87849	0.7
69.03422	1.2
85.02901	4.0
85.46928	0.7
92.18760	0.8
92.20978	0.9
97.02850	0.9
127.03882	0.9
135.04388	6.1
137.05960	13.7
143.04907	1.5
151.07542	1.9
153.05441	1.3
161.05960	10.5
163.03842	0.9
163.06337	0.9
166.08629	3.6
176.07053	40.6
177.07816	9.4
178.08643	8.4
194.08138	16.6
207.91570	0.8
210.51799	0.9
235.07552	5.3
243.06383	1.0
263.06982	6.5
269.08023	1.3
271.09604	1.5
281.08072	6.3
283.09732	0.9
285.11194	5.4
287.12936	0.9
297.09903	1.2
299.09171	1.7
310.10724	1.2
312.12286	14.6
329.12308	1.0
330.13345	100.0
330.16980	15.7
358.07291	0.9
492.18661	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1861
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
51.62756	0.4
54.22028	0.6
58.06608	0.9
61.02929	0.8
62.29774	0.5
66.98930	0.4
67.71417	0.5
69.03415	0.8
70.06591	0.8
85.02905	2.8
85.13678	0.6
92.21622	0.6
97.02886	2.2
108.40083	0.6
135.04414	6.9
137.05981	2.6
138.94484	0.6
147.04362	0.7
161.05971	0.7
163.03856	1.1
165.07883	0.6
166.08635	3.2
176.07051	34.6
177.07820	10.2
178.08606	8.1
194.08107	18.2
235.07463	2.7
243.06584	0.8
255.97504	0.6
263.06921	6.3
265.15457	0.7
269.08057	0.7
271.09619	2.5
281.07962	4.9
297.09949	0.7
299.09143	3.3
312.08676	0.9
312.12210	11.8
330.13318	93.2
408.21521	0.9
492.18542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	9.4
58.62674	0.8
63.98825	0.9
67.53159	0.8
69.03400	2.0
70.06576	1.1
85.02878	2.0
90.99490	0.8
91.45887	0.8
98.23839	0.8
107.04947	1.7
130.36887	0.9
130.43004	0.9
135.04440	9.2
137.05911	5.8
153.05394	1.3
164.10722	0.9
166.08556	3.9
171.99251	0.8
174.59003	0.9
175.07477	1.6
176.07066	38.5
177.07880	8.0
178.08649	17.4
179.08897	1.6
180.09094	1.6
186.54362	0.8
192.10063	4.7
192.27419	0.7
194.06660	0.9
194.08136	16.2
197.80855	0.8
201.07800	0.8
230.13651	1.0
235.07413	2.1
253.08504	1.5
263.07040	8.7
267.90842	1.1
271.09631	1.4
281.07843	4.2
285.11227	1.2
299.08929	3.9
299.12424	0.8
312.09088	1.2
312.12299	12.8
329.15558	1.5
330.13297	100.0
330.16583	7.2
457.41968	1.0
492.18268	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1864
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
54.95040	1.0
56.48363	0.9
57.88720	0.9
60.53634	1.0
67.87676	1.0
69.03418	4.7
70.06588	5.1
70.63346	1.0
85.02908	7.8
86.09693	2.0
88.04008	7.7
97.02852	2.2
107.04939	8.2
121.06510	8.6
127.03863	1.6
129.10245	1.4
136.07573	4.0
145.87953	1.2
151.07547	1.3
153.05440	4.4
160.95517	1.1
161.05962	5.6
176.07089	2.6
177.05429	5.0
177.07846	9.4
178.08632	5.5
179.07008	6.7
180.07454	1.7
192.10196	23.0
193.10655	14.0
197.09680	1.4
207.08186	1.2
222.07620	6.6
225.08990	2.3
235.07568	12.2
243.10172	6.9
252.49811	1.7
253.08586	45.3
255.10081	2.0
281.07974	1.6
282.11142	1.3
283.11502	1.4
284.12793	29.3
299.09137	2.5
312.08755	1.3
330.09589	6.0
330.13199	25.2
450.57358	1.2
474.21173	7.6
492.18524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20943	0.8
58.06585	1.3
69.03426	1.1
78.27924	0.8
85.02901	4.4
102.15226	0.8
102.81821	0.7
135.04413	8.3
137.05966	5.1
141.01563	0.9
149.05981	1.1
151.07578	1.0
163.03856	1.4
166.08646	1.3
174.18268	0.9
176.05539	1.4
176.07080	31.1
177.07841	9.5
178.08611	10.1
179.08969	1.7
183.07013	0.8
192.10217	4.0
193.16945	0.8
194.08125	15.0
230.92950	0.9
235.07564	1.7
243.06554	1.0
249.80959	0.9
253.08609	1.1
263.06973	6.2
269.08008	1.0
271.09537	1.9
281.08090	5.6
299.09140	3.5
312.12274	10.4
330.13321	93.7
330.16089	3.8
481.07556	1.1
492.18521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10329	0.7
62.95055	0.9
71.67879	0.8
86.43942	0.7
135.22717	0.9
139.07701	0.9
163.38803	0.9
179.04747	0.9
241.50069	1.0
256.77060	0.8
309.06232	1.2
318.07571	3.3
330.11487	1.7
331.12015	1.5
332.09131	1.2
343.08286	4.0
343.12009	1.5
344.08960	1.1
346.07031	3.6
346.10721	5.9
348.12418	1.0
358.10629	7.0
359.11526	4.8
360.08438	1.9
360.12390	1.5
361.09415	31.9
362.13647	1.2
374.10056	18.1
374.13828	2.3
375.10983	12.4
376.11774	100.0
377.12357	1.8
388.11777	1.6
388.19135	1.6
389.12601	1.9
390.12952	3.3
412.15503	1.2
413.16385	1.3
415.18082	1.8
416.19116	8.1
418.20300	1.6
428.18729	7.4
431.17062	10.2
446.19604	90.1
464.20648	4.8
469.70129	1.0
474.19223	25.2
492.20004	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2019
Annotation	Grossamide K
Peak:m/z	Relative Intensity
52.60970	1.8
62.80272	1.6
76.04745	1.6
91.05489	2.8
93.07040	8.7
95.04938	2.5
103.05472	2.7
108.60009	1.8
121.06504	62.6
137.05977	53.8
137.06927	2.8
143.04904	1.9
147.04457	2.6
151.03899	1.9
161.06003	10.5
162.06819	3.5
175.03880	2.9
177.05455	2.3
201.05479	35.6
203.06985	2.3
213.05556	9.9
233.06108	7.9
234.06836	4.2
237.09077	1.9
245.06029	2.6
249.09151	8.5
250.06375	3.1
262.06302	7.0
263.06937	2.0
265.08539	16.7
273.05365	3.1
275.07227	2.5
277.08548	23.0
278.05862	2.7
282.08752	4.0
287.06885	2.4
290.05713	18.5
292.07205	3.8
292.10065	2.4
293.08075	19.4
294.08746	2.3
297.11536	2.1
305.08112	36.2
307.06287	3.4
307.09567	22.7
309.11295	4.1
310.08563	2.9
318.07446	1.9
320.09195	97.9
322.08310	4.0
325.10776	38.0
334.10596	2.5
337.10580	19.9
346.47397	2.3
355.12000	3.2
457.14737	2.0
462.19153	44.5
492.20218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2012
Annotation	Grossamide K
Peak:m/z	Relative Intensity
74.83892	0.3
81.03418	3.1
91.05441	1.7
93.07036	2.2
94.04174	0.4
103.05453	1.9
107.04982	0.6
109.06503	0.6
115.05433	3.0
116.25317	0.3
117.07036	2.5
121.06499	36.1
122.03635	1.5
125.06007	0.6
130.85919	0.4
131.04918	5.3
135.04434	0.4
136.07564	0.4
137.05974	100.0
143.04903	4.7
144.05721	0.5
145.06468	4.8
146.03641	1.6
146.06009	0.4
149.05995	0.5
151.03877	0.7
153.05455	0.5
160.05191	5.9
161.05966	8.5
162.06737	1.4
163.07524	5.1
164.07042	6.1
171.04424	1.7
175.07527	36.3
177.09055	3.1
187.07541	11.1
201.05490	0.8
203.07004	3.9
204.10225	0.4
205.08582	9.7
219.08084	2.3
235.07582	0.4
247.07581	2.5
251.10721	2.2
259.09622	3.3
264.07758	0.6
265.08569	1.8
270.09009	0.7
279.10086	3.7
281.08224	0.4
283.09674	1.6
284.10440	2.3
288.06689	0.4
296.10526	1.9
299.12726	0.6
311.12769	8.6
319.08203	0.6
320.09216	1.6
321.09515	1.4
329.13760	0.4
334.10764	1.6
336.12381	1.6
340.15543	1.9
355.11810	0.6
368.14923	2.5
386.16110	0.8
390.76175	0.3
460.36295	0.4
462.19174	0.6
474.19443	2.2
476.84436	0.4
492.14014	1.4
492.20282	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73685	0.7
56.77819	0.6
58.06606	1.3
60.29573	0.7
63.68216	0.9
67.76907	0.8
117.26712	0.8
121.06485	1.4
130.96452	0.9
137.05922	4.3
142.02660	0.9
175.07565	0.9
289.17374	0.9
292.09641	4.1
304.06320	0.8
318.07785	1.3
319.08383	1.8
320.09161	88.4
321.09930	13.6
322.10577	3.8
323.11356	1.8
334.10767	5.4
336.08609	1.6
336.12280	17.1
337.12958	1.9
338.13763	6.3
350.10089	1.1
352.15439	7.7
353.15714	0.9
492.19928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41146	0.3
57.31273	0.4
63.07101	0.3
64.87659	0.4
82.10567	0.5
88.73886	0.4
112.54199	0.4
121.06405	2.2
136.31190	0.4
137.05875	0.8
141.38112	0.4
201.05414	0.9
232.62654	0.3
287.39752	0.4
292.09634	2.4
293.08630	0.4
305.08139	0.5
319.08301	0.7
320.09171	100.0
321.09698	1.5
322.10590	2.0
325.11407	0.4
334.10767	2.6
336.12369	3.2
350.14008	1.4
462.19141	0.6
492.20343	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52868	0.9
55.01878	0.8
70.84127	0.9
70.93236	0.8
81.03407	2.5
91.05468	2.0
92.65300	0.9
92.94951	1.0
93.07036	1.8
102.49253	1.0
103.05466	2.3
107.88021	1.1
111.22191	1.0
115.05464	1.3
117.07015	1.2
121.06500	37.2
122.03657	1.6
123.54741	1.0
131.04945	5.3
137.05977	100.0
143.04903	6.3
145.06454	4.3
146.06076	1.3
149.05992	1.6
151.03853	1.4
154.93373	1.3
160.05171	5.0
161.05966	9.4
163.07523	4.7
164.07120	2.4
171.04411	1.7
175.07524	37.0
177.09102	2.3
187.07568	14.1
191.07019	1.1
201.05453	1.7
203.07082	6.9
205.08548	9.3
219.08026	1.2
238.85634	1.0
247.07495	1.2
251.84451	1.0
259.09647	2.1
278.08261	1.3
279.10126	4.1
284.10623	1.3
302.08167	1.3
304.06104	1.5
311.12646	7.2
318.07520	4.4
319.08298	13.2
320.09180	9.8
321.09543	2.0
322.10504	2.1
329.13626	1.3
334.10718	20.1
335.11115	1.4
336.12207	6.5
340.15433	1.5
355.10886	1.1
363.45428	1.1
368.15048	1.6
492.20416	36.4
509.03662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89566	0.4
59.73145	0.5
64.95099	0.6
65.82848	0.5
72.48116	0.5
97.06480	0.6
121.06516	2.3
137.05954	4.4
151.24669	0.5
161.05939	0.8
164.04140	0.5
175.07500	0.9
190.08575	0.6
191.09390	0.8
215.06886	0.6
258.15582	0.6
290.08157	0.7
292.09662	2.2
294.11551	0.7
304.05917	0.6
307.08316	0.6
319.08429	2.3
320.09167	94.2
321.09943	8.8
322.10672	9.0
323.11313	1.0
334.10617	3.8
335.11472	0.9
336.12244	7.0
338.13885	2.9
346.46277	0.5
350.10269	0.8
352.15512	1.2
474.19019	0.9
481.74146	0.6
492.20096	100.0
492.68137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75707	0.7
85.02901	1.2
86.09708	100.0
100.70872	0.9
113.14024	0.8
121.06502	15.2
127.55420	0.8
132.10199	69.3
137.05945	1.0
138.09109	3.4
193.05420	0.7
285.10501	1.0
358.85876	0.9
492.20862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35882	0.5
58.97570	0.5
66.21696	0.5
69.03426	3.0
70.06594	0.9
85.02911	5.1
87.04473	0.8
88.41712	0.6
90.83976	0.6
97.02888	2.5
99.04429	0.7
103.85021	0.5
105.20433	0.5
105.97142	0.6
109.02894	0.9
120.72823	0.4
121.06476	5.9
134.12819	0.6
137.05971	16.2
137.06929	0.9
143.04901	6.8
145.05025	0.6
145.06485	0.5
151.07553	3.3
163.07593	0.6
166.08607	1.2
175.07521	15.9
177.07814	1.3
192.10187	100.0
226.13367	0.7
226.15898	0.5
227.10767	0.7
235.07576	1.0
239.10774	0.8
255.10144	1.3
267.10205	2.8
269.11804	0.6
287.12817	0.8
299.12805	7.4
330.13464	1.2
330.16989	12.0
462.34250	0.7
492.22281	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66817	0.5
55.89733	0.5
58.06609	1.3
66.06092	0.5
69.03454	0.8
74.09109	0.6
85.02917	2.6
92.21458	0.7
97.02885	0.9
115.05448	0.9
127.03947	0.7
130.16589	0.6
137.05980	27.9
143.04929	11.4
144.31212	0.6
151.07571	6.9
160.05217	0.8
175.07550	27.0
175.09013	1.2
176.07106	1.3
177.07892	2.5
178.08734	0.7
180.10138	1.0
186.80769	0.6
192.10197	100.0
207.08134	1.2
227.10799	1.3
235.07596	2.4
239.10841	2.3
255.10085	2.2
267.10123	4.3
287.12833	1.0
290.86993	0.7
299.12799	8.3
312.12411	0.8
330.13477	5.6
330.17099	12.2
354.15414	12.8
384.30182	0.7
492.22406	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.6
69.03416	0.5
77.80313	0.4
85.02924	2.9
97.02905	0.5
99.04402	0.5
99.68998	0.4
105.67757	0.4
107.04962	0.5
108.20908	0.4
115.05424	0.4
121.06457	0.9
137.05978	26.3
143.04909	13.0
151.07527	6.2
160.07481	0.5
162.06744	0.4
163.07539	1.5
175.07536	25.6
177.07771	1.8
177.09122	0.5
178.08583	1.7
192.10188	100.0
207.08018	0.8
213.35164	0.4
227.10754	0.5
235.07530	2.0
239.10638	1.7
241.08360	0.6
255.10118	0.7
267.10101	3.9
269.11658	0.6
287.12759	1.5
298.14459	0.4
299.12747	8.3
330.13235	2.2
330.16928	11.0
354.15463	7.7
474.17300	0.5
492.22342	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19142	0.3
56.42639	0.3
62.55318	0.3
66.35182	0.3
69.03415	0.6
75.71665	0.4
85.02908	2.3
112.78858	0.3
115.05461	0.7
116.07050	0.6
119.04907	0.4
127.03891	0.4
131.04936	0.4
137.05980	24.2
138.86641	0.4
143.04919	12.5
149.06012	0.3
151.07530	4.5
159.26469	0.3
160.05171	0.6
163.07515	1.3
175.07535	23.0
177.07814	1.6
177.09186	0.5
178.08656	0.7
192.10187	100.0
199.77229	0.3
200.09218	0.3
207.08055	1.6
223.66064	0.4
227.10622	0.8
235.07506	2.1
239.07137	0.4
239.10645	2.7
255.10234	1.4
267.10147	4.5
269.11728	0.6
284.10376	0.8
287.12888	1.2
298.14456	0.6
299.12769	9.2
310.08328	0.3
324.51828	0.4
330.13339	0.9
330.16959	12.0
354.15515	8.0
357.94556	0.4
492.22305	72.4
517.29016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	1.4
61.02943	1.1
64.60327	0.5
69.03445	2.4
73.02901	0.7
81.03435	1.3
85.02928	4.5
97.02928	2.6
99.04465	3.7
103.55658	0.6
107.04986	3.4
110.88612	0.5
117.35114	0.6
121.06516	1.0
125.18163	0.6
127.03964	1.0
131.04903	0.6
131.42757	0.6
133.06552	0.7
135.86166	0.6
137.05977	15.8
137.06943	0.9
143.04897	4.9
149.06024	0.8
151.07527	4.9
163.07477	4.2
175.07527	14.3
177.07849	2.1
181.21881	0.5
183.80344	0.6
192.10194	100.0
195.04707	0.6
197.09651	1.3
203.67703	0.6
206.11836	0.9
207.08084	1.2
227.10829	0.8
233.50166	0.6
235.07520	4.1
239.10698	0.9
255.10268	0.8
267.10315	3.2
270.96658	0.6
285.11197	21.2
299.12839	7.1
315.11255	1.0
330.13419	11.8
330.17133	18.0
332.10175	0.6
379.06003	0.7
436.66107	0.7
492.22440	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35882	0.5
58.97570	0.5
66.21696	0.5
69.03426	3.0
70.06594	0.9
85.02911	5.1
87.04473	0.8
88.41712	0.6
90.83976	0.6
97.02888	2.5
99.04429	0.7
103.85021	0.5
105.20433	0.5
105.97142	0.6
109.02894	0.9
120.72823	0.4
121.06476	5.9
134.12819	0.6
137.05971	16.2
137.06929	0.9
143.04901	6.8
145.05025	0.6
145.06485	0.5
151.07553	3.3
163.07593	0.6
166.08607	1.2
175.07521	15.9
177.07814	1.3
192.10187	100.0
226.13367	0.7
226.15898	0.5
227.10767	0.7
235.07576	1.0
239.10774	0.8
255.10144	1.3
267.10205	2.8
269.11804	0.6
287.12817	0.8
299.12805	7.4
330.13464	1.2
330.16989	12.0
462.34250	0.7
492.22281	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	56.2
69.03426	3.8
70.06586	1.1
71.96563	0.6
72.08170	1.0
77.44555	0.7
85.02905	6.7
86.09695	1.8
87.04454	0.8
91.05471	0.9
97.02908	1.6
107.04971	0.8
109.02966	0.7
115.05449	0.8
123.04410	5.7
123.91782	0.8
127.03896	1.6
128.71651	0.8
132.10231	1.1
135.04427	7.9
135.52042	0.8
136.07591	1.0
137.04990	1.5
137.05984	28.5
143.04936	6.3
149.05907	0.8
151.07520	7.4
153.05487	1.0
161.05975	23.9
163.07536	1.2
166.08705	1.6
175.07552	3.9
176.07065	38.0
177.07846	9.7
178.08621	9.4
180.10213	0.8
192.10243	5.4
194.08098	14.1
230.13710	0.9
233.53801	0.7
235.07523	4.4
241.12329	0.9
243.06725	0.8
253.08542	3.3
255.10202	1.1
263.06992	7.3
269.08118	1.5
271.09677	3.1
281.08038	5.0
285.11169	7.1
287.12827	3.6
288.98880	0.9
299.09174	3.1
312.12323	15.5
330.13327	100.0
330.17020	37.2
443.23410	0.8
492.18262	63.7
492.22256	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81749	0.6
64.64526	0.6
68.09786	0.6
69.03437	1.1
73.65157	0.6
85.02911	2.9
87.93633	0.7
132.55908	0.6
137.05972	28.7
143.04912	13.0
151.07521	7.1
163.07480	1.0
168.16393	0.7
175.07524	25.8
176.07144	0.9
177.05431	0.7
177.07883	1.3
192.10181	100.0
204.51550	0.7
207.08051	1.1
219.51262	0.7
227.10703	0.9
235.07550	2.4
239.10680	1.1
255.10214	1.1
267.10294	4.1
299.12820	9.7
330.13318	2.6
330.17059	11.2
354.15451	10.2
357.52103	0.7
359.99533	0.8
492.22299	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.7
54.22131	0.5
54.26728	0.6
61.02920	0.6
69.03439	2.6
70.06600	3.5
81.03439	1.0
81.03981	0.5
85.02903	5.5
97.02893	1.1
99.04441	1.4
99.39415	0.6
120.08030	0.7
136.29500	0.7
137.05981	17.7
137.06880	0.7
143.04889	6.8
149.06068	0.6
151.07555	4.8
163.07559	1.0
166.03825	0.6
175.07524	16.4
177.07872	1.1
192.10188	100.0
227.10803	0.9
239.10686	1.0
255.10072	0.8
267.10205	2.4
269.11551	0.7
287.12982	1.4
298.63614	0.8
299.12793	8.7
330.13278	2.4
330.17072	12.0
492.22348	72.7
514.91010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.238
Annotation	Unknow
Peak:m/z	Relative Intensity
77.27971	0.5
81.06949	0.5
92.68520	0.5
107.08491	0.6
112.99753	0.5
121.06393	0.7
137.05847	0.5
162.37234	0.5
166.64603	0.5
173.89241	0.5
175.03775	2.8
175.05124	0.5
241.04776	1.0
269.04492	1.2
283.06000	0.9
290.08054	0.7
292.09482	2.0
301.06998	1.9
306.07657	0.7
308.09241	0.6
308.12576	1.6
319.08450	0.7
320.09137	18.6
320.25925	0.6
321.09686	6.3
322.10751	2.0
323.11618	2.4
324.08597	1.0
330.11139	0.5
334.07104	2.0
334.10815	3.5
335.07718	0.6
336.12277	100.0
337.12738	2.5
338.13898	5.9
349.50150	0.6
350.10397	2.2
352.08228	2.4
394.13055	2.8
476.20923	3.9
492.12598	2.9
492.23914	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.6
51.02387	0.6
52.52563	0.5
53.02415	0.5
62.34725	0.6
66.28977	0.6
70.81301	0.6
92.21009	0.9
105.07044	1.4
137.06038	0.8
149.16252	0.7
199.74062	0.6
224.96103	0.7
292.09625	7.1
304.09619	1.1
306.07849	3.0
313.56656	0.7
320.09167	15.1
321.09940	33.5
322.10742	1.0
323.11560	2.8
334.10852	3.1
336.12274	100.0
337.13000	0.9
338.13794	8.5
492.23807	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03220	0.3
55.18819	0.3
58.56454	0.4
60.19658	0.4
66.02487	0.3
90.59227	0.4
98.71255	0.4
101.88363	0.4
110.29604	0.4
173.71919	0.4
253.94647	0.5
273.35092	0.4
292.09662	9.9
304.09622	1.0
306.07654	1.7
320.09198	15.2
321.09970	33.1
322.10132	0.8
323.10617	0.9
336.12302	100.0
337.12668	2.4
338.12878	2.6
492.23758	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20423	0.6
87.52557	0.6
97.62793	0.6
99.15385	0.6
123.33321	0.6
140.28958	0.6
150.43382	0.5
152.20808	0.6
165.05479	0.7
176.07011	0.9
241.41885	0.7
292.09625	9.6
304.09854	0.9
306.07516	2.9
320.09152	17.7
321.09924	35.5
322.10214	1.0
323.10947	0.8
332.30164	0.6
333.09671	0.6
336.12280	100.0
337.12656	2.7
338.12979	3.3
349.13336	0.7
376.15421	4.8
394.12958	4.0
425.16739	0.7
464.16620	2.6
492.16577	4.9
492.23654	60.1
492.34818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58640	0.4
57.45019	0.3
59.54545	0.3
60.65808	0.4
98.56991	0.4
122.19492	0.4
135.67081	0.4
144.20830	0.4
191.38229	0.4
290.08145	0.5
292.09662	9.4
304.09579	0.9
306.07620	3.8
307.08435	0.5
319.08365	2.1
320.05444	0.7
320.09164	19.5
321.09912	32.4
322.10690	4.6
323.11417	0.6
334.10800	5.0
336.12286	100.0
337.12775	1.4
338.13596	2.1
421.03983	3.2
436.06970	0.8
439.05356	2.9
448.21240	0.6
451.08984	1.6
469.09988	0.9
492.23895	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.238
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78091	0.4
63.08057	0.4
67.74941	0.5
69.47263	0.4
70.76171	0.5
76.83280	0.5
80.22602	0.4
81.89457	0.4
82.14467	0.5
131.28853	0.5
165.57376	0.5
176.07030	2.9
229.08685	1.0
236.02928	0.5
265.18149	0.5
292.09695	10.2
304.09558	1.9
306.07532	2.3
318.07541	0.5
320.09146	25.2
321.09927	30.9
322.10321	0.7
336.09152	3.9
336.12262	100.0
338.12842	0.6
351.11026	1.0
362.10156	0.7
364.08188	1.1
376.15353	0.7
379.10641	1.2
394.12814	13.3
477.91589	0.4
492.16602	6.2
492.23672	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89700	0.4
81.07063	0.5
81.93694	0.4
100.35431	0.5
109.10155	0.5
248.06267	0.4
292.09668	10.9
304.09698	2.6
306.07562	2.9
320.09171	10.2
321.09964	31.1
323.11618	0.6
336.12289	100.0
337.12723	0.8
338.13669	2.2
424.18002	0.5
492.23773	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31287	0.4
72.04087	0.3
80.82728	0.4
89.22471	0.4
91.32382	0.4
93.73335	0.4
99.24615	0.4
125.26832	0.5
165.02054	0.4
172.68808	0.4
176.07104	0.8
204.77919	0.4
210.70430	0.4
263.91309	0.4
292.09659	9.2
299.30194	0.5
304.09583	1.9
306.07599	2.4
320.09167	14.7
321.06091	0.9
321.09943	35.5
336.12286	100.0
379.76968	0.5
404.36447	0.4
492.23795	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14343	0.5
52.08364	0.5
53.95913	0.6
54.42916	0.5
59.60756	0.5
69.12960	0.5
79.05503	0.8
124.11258	0.7
140.42813	0.6
158.67450	0.7
196.13330	4.6
292.09821	3.0
294.11456	0.8
306.07687	1.1
319.08344	2.0
320.09201	17.7
320.12674	1.1
320.25812	13.2
321.09714	5.8
322.10394	0.9
323.11923	0.8
334.10605	5.4
335.07986	2.7
335.11630	0.8
336.12283	100.0
337.12955	0.9
338.13687	5.4
348.12674	0.7
349.13248	2.3
350.10187	6.7
350.69656	0.7
366.75491	0.7
430.20209	0.7
448.21225	1.2
458.28195	0.8
476.20648	4.7
477.21609	2.5
492.24066	78.9
495.09262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21188	0.2
78.56121	0.2
88.61662	0.2
92.00751	0.2
124.14272	0.2
125.56121	0.2
137.05942	0.2
151.53258	0.2
163.29846	0.2
168.08388	0.2
176.07059	2.8
281.15341	0.5
291.08566	0.2
292.09625	2.0
306.07690	0.3
308.12836	0.9
319.08463	0.3
320.09183	9.3
321.09958	5.1
322.10745	2.4
323.11444	1.5
334.10736	1.2
336.12296	100.0
337.12802	0.7
338.13776	3.6
360.96811	0.2
361.01242	0.2
492.23865	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48906	0.6
55.05544	0.5
58.06601	0.6
60.08173	11.0
67.05528	2.4
69.07077	1.1
69.34503	0.7
71.07374	1.5
81.07061	2.6
83.08626	0.8
86.09715	38.7
95.08625	1.0
98.98487	0.7
102.21488	0.7
104.10751	83.0
107.08579	1.3
107.69117	0.6
109.10172	0.8
125.00018	17.1
134.17270	0.7
163.01526	0.8
184.07344	100.0
193.89822	0.8
216.30298	0.8
235.87294	0.7
258.66928	0.7
271.61487	0.7
288.65567	0.8
305.98242	0.7
309.03952	0.6
309.24158	0.7
320.09161	2.8
322.10492	2.2
323.11496	4.0
334.10657	1.6
336.12289	0.8
338.13922	6.7
378.13461	0.9
474.29675	6.1
492.23666	8.9
492.30801	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.0
53.77983	0.3
55.05525	0.4
64.24382	0.3
67.05513	3.1
69.07082	0.4
71.05015	0.7
79.05497	1.8
81.03428	7.6
81.07066	4.7
83.78336	0.3
85.29031	0.3
91.05499	0.6
91.20277	0.3
93.07037	3.5
95.08616	3.5
99.04460	100.0
99.22335	0.3
105.07001	0.5
107.08607	1.6
109.10152	2.2
111.47309	0.3
117.05518	0.5
117.32378	0.3
119.08587	0.8
121.10155	2.7
123.11661	0.5
131.08597	0.4
133.10081	0.3
135.11717	1.4
137.05940	0.5
139.03871	0.3
145.10143	0.7
149.13405	0.4
159.11661	0.4
170.08037	0.4
173.13307	0.6
243.21144	0.6
261.22110	4.9
279.23203	1.5
351.35248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1316
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
70.67022	0.6
85.15984	0.6
86.09687	1.1
103.64971	0.6
104.23528	0.8
127.06239	0.7
157.67406	0.7
169.56868	0.7
176.51741	0.8
177.21103	0.8
219.01836	0.7
237.02869	0.7
239.03845	0.7
289.07831	0.8
337.08179	0.8
397.91202	0.7
414.22842	0.8
493.13214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67022	0.6
85.15984	0.6
86.09687	1.1
103.64971	0.6
104.23528	0.8
127.06239	0.7
157.67406	0.7
169.56868	0.7
176.51741	0.8
177.21103	0.8
219.01836	0.7
237.02869	0.7
239.03845	0.7
289.07831	0.8
337.08179	0.8
397.91202	0.7
414.22842	0.8
493.13214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97645	0.4
64.58099	0.4
76.28840	0.6
77.20843	0.5
85.93861	0.4
111.82851	0.5
149.05910	0.5
152.94235	0.6
154.74817	0.5
170.49614	0.5
174.05441	0.5
176.07108	1.2
177.53671	0.5
188.07076	0.5
200.07085	0.5
211.32957	0.6
248.07339	0.5
269.00555	0.6
276.06512	1.1
290.08139	3.5
304.02646	0.9
304.05997	11.2
304.09369	0.8
305.06732	4.7
306.07721	3.3
318.07596	62.5
320.09180	4.0
337.98184	0.6
435.13446	0.9
463.12723	2.4
464.11176	2.3
476.11423	0.7
477.10800	0.7
493.13919	100.0
504.74860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
77.36395	0.6
92.35194	0.5
162.01990	0.7
162.50343	0.6
176.07076	2.5
188.06978	0.7
191.39946	0.5
276.06622	0.8
290.08124	3.8
304.06079	13.2
304.76547	0.7
305.06851	5.0
306.07715	2.8
311.00821	0.6
318.07608	62.8
319.08652	0.7
320.09116	5.0
435.13318	0.9
463.12875	2.9
464.11362	2.5
465.14728	0.8
476.11237	2.2
491.12305	1.3
493.13947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66972	0.5
61.29493	0.7
72.46307	0.6
74.02446	17.0
86.08363	0.7
87.05592	31.8
88.04002	5.9
92.21535	0.8
116.03445	7.2
123.18681	0.6
133.06088	100.0
223.04364	0.6
315.01791	0.7
515.96423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22853	0.9
58.06594	1.5
62.53586	1.0
66.20621	1.0
69.03419	1.6
70.02942	1.2
70.06612	1.5
74.02448	19.6
85.02901	6.0
86.09740	1.0
87.05595	46.0
88.03995	6.2
94.45252	1.0
97.89990	1.0
107.04932	2.1
116.03456	9.7
120.19680	1.0
129.66728	1.1
133.06093	100.0
135.06798	1.9
152.07065	15.6
178.08549	1.2
192.10291	2.0
199.11070	1.2
235.92815	1.1
254.08926	2.1
275.52206	1.3
278.58572	1.0
285.13162	1.3
314.12408	1.7
327.25867	1.1
331.10046	1.5
413.98154	1.4
493.18793	8.1
493.25851	2.0
512.78894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20413	0.6
66.39788	0.6
74.02444	16.5
87.05594	38.0
88.04017	5.8
97.27578	0.7
116.03432	10.1
125.26704	0.9
133.06090	100.0
140.42780	0.9
198.98581	6.0
213.60582	0.7
216.99953	0.7
246.94101	0.8
301.01813	3.3
301.07788	0.9
395.10443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64419	0.8
56.62843	0.8
56.76519	0.7
62.95753	0.9
63.83599	0.8
70.35176	0.8
117.71020	0.8
121.05598	0.9
133.09732	0.9
136.42633	0.9
154.66801	1.0
173.61971	0.9
207.39185	1.0
245.11551	1.2
290.08041	8.8
302.08218	2.1
304.06125	9.0
318.07578	13.7
319.08374	49.0
320.09274	4.2
321.09631	4.3
331.67175	1.1
334.10718	100.0
335.11475	1.2
336.12427	1.3
417.12982	1.0
431.13812	9.2
443.13608	3.7
445.11710	16.4
459.13434	23.5
460.14474	5.7
470.56732	1.2
475.16400	8.9
493.17838	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
58.06595	0.8
59.62836	0.6
68.71542	0.4
84.77344	0.6
87.71491	0.5
100.82941	0.5
103.17384	0.6
110.68721	0.5
136.23346	0.5
137.05995	0.9
153.73251	0.5
181.04794	0.6
216.46748	0.6
230.26448	0.8
268.63684	0.7
280.27695	0.6
290.08060	9.0
302.08133	3.3
304.06046	9.5
304.09268	0.8
318.07611	11.5
319.08386	55.1
320.09103	1.2
321.09894	0.8
334.10727	100.0
336.12253	1.3
337.12537	0.9
402.65851	0.6
445.11792	0.6
475.16995	0.9
493.17584	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33635	0.4
61.65799	0.5
65.77253	0.5
72.23325	0.4
81.02087	0.4
81.53021	0.5
98.16048	0.6
100.99868	0.4
147.40565	0.5
148.70586	0.5
177.05511	0.5
290.08136	8.1
302.08029	3.4
304.06039	12.3
318.07584	12.7
319.08374	51.1
334.10712	100.0
417.12177	0.7
431.13788	4.1
443.13708	1.9
445.11948	8.5
459.13217	10.3
460.14175	2.6
471.13358	0.6
475.16580	7.6
493.17569	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64113	1.1
70.17525	1.0
115.60857	1.3
122.53234	1.2
122.87818	1.4
128.88107	1.3
166.09479	1.4
192.69951	1.3
290.08096	8.3
302.08466	1.5
304.06235	8.0
318.07498	14.8
319.08377	46.4
319.11877	1.6
320.09201	6.6
321.09686	1.5
332.09274	1.4
334.10715	89.5
335.11313	1.7
336.12689	1.4
417.12485	4.9
431.13956	19.2
443.14081	10.3
445.11823	37.2
445.17758	1.8
459.13400	50.2
459.19958	1.7
460.14175	11.8
475.16489	26.4
492.68332	1.7
493.18054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
74.62308	0.8
81.62552	0.8
105.07829	0.9
153.02158	1.0
193.03119	0.8
250.02625	0.9
282.11557	0.9
290.08011	7.0
302.08127	1.2
304.05991	8.0
305.24615	0.9
318.07635	7.7
319.08353	40.2
334.10718	70.9
417.12585	1.9
429.12579	1.2
431.13803	16.4
443.13992	9.2
445.11856	30.5
459.13318	40.1
460.14182	12.2
475.16547	25.1
493.17575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41122	0.8
58.43802	1.0
59.94677	0.8
76.16489	0.9
78.17429	0.9
101.70641	1.2
137.25548	0.9
173.06096	1.0
224.12083	1.2
263.41492	1.2
290.08035	9.1
304.06036	9.1
307.01981	1.1
318.07639	13.4
319.08398	52.7
320.09097	2.2
321.09732	1.8
334.10730	87.2
337.12521	1.5
358.01654	1.0
397.72470	1.2
417.12210	2.1
431.14008	14.4
443.13806	10.0
445.11832	31.4
459.13339	45.6
460.14206	13.0
475.16504	26.0
493.17758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27072	0.3
63.35430	0.4
65.74960	0.3
67.09496	0.3
71.27143	0.5
82.74551	0.4
132.63986	0.4
158.21768	0.4
173.16209	0.4
191.09071	0.4
290.08105	9.0
302.08142	2.6
304.06021	8.6
318.07599	10.1
319.08389	49.5
321.09647	0.5
334.10727	100.0
336.12018	0.7
468.20462	0.6
493.17557	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	6.3
69.03437	3.4
81.03441	20.0
81.88013	3.6
84.04532	15.2
85.02944	4.8
86.06066	33.8
86.09744	4.6
87.00175	3.7
87.04462	29.2
97.02901	12.9
98.12638	3.3
99.04469	20.2
102.83309	3.3
104.07101	31.1
109.02917	6.2
110.06052	8.4
111.04473	19.7
114.05555	5.5
124.07561	24.5
130.04988	23.9
142.04971	4.1
148.07593	56.7
152.07120	17.0
163.03935	5.2
164.07088	8.0
170.08191	14.4
172.09715	20.9
176.07072	100.0
176.08521	5.0
178.04953	4.1
179.86172	3.3
192.06519	24.7
194.08189	3.4
198.07689	15.9
199.83168	3.3
208.06125	3.8
211.36110	3.8
216.08705	43.4
220.06026	32.4
220.16623	3.4
238.07167	6.2
323.12500	14.3
333.05554	3.8
439.16937	25.6
457.18188	49.7
458.36502	4.3
475.19202	24.5
493.20370	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00811	1.5
53.90151	1.8
68.05025	2.3
69.03419	3.6
81.03420	18.0
81.36723	1.8
84.04519	21.0
85.02895	3.2
86.06070	39.6
87.04467	34.2
96.04488	7.2
97.02887	14.0
98.06027	2.4
99.04462	17.0
103.53443	1.7
104.07099	28.3
106.06614	1.9
107.78051	2.3
109.02897	12.7
110.06020	13.5
110.15657	1.7
111.04447	23.8
112.07597	1.6
114.05546	2.3
118.30834	1.8
124.07600	18.9
126.05453	2.1
127.03877	7.8
128.31424	1.6
129.31248	1.7
130.05022	22.1
130.06517	2.4
133.05260	2.0
134.06033	9.4
140.07030	2.4
142.05003	3.8
148.06476	3.4
148.07578	65.9
152.07030	17.5
154.08650	11.9
164.06964	6.1
170.08124	16.8
172.09668	17.4
173.09969	1.8
174.05399	2.3
176.07062	100.0
178.79543	1.7
191.08156	4.2
192.06560	28.9
194.08130	9.4
198.07603	29.1
208.06216	2.1
208.39690	1.7
210.07532	3.0
214.07362	1.7
216.08661	44.6
220.06039	31.8
226.10825	7.1
238.07111	10.3
259.10867	3.1
271.30621	1.8
277.11819	3.4
279.13458	4.0
323.12314	16.6
336.10602	4.4
342.67825	2.1
370.42554	2.0
439.17023	36.5
439.22314	3.3
457.18192	58.6
475.19138	24.9
493.20313	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14551	0.4
55.05513	0.5
63.87823	0.4
67.05483	1.0
69.07044	0.5
81.07073	1.5
83.08605	0.6
93.07030	0.8
95.08602	2.4
96.37534	0.4
98.98486	0.6
99.04440	2.3
105.07002	0.5
107.08572	0.8
109.10145	0.7
110.99604	0.5
119.08568	0.9
121.10139	0.9
131.08603	0.5
132.39003	0.5
133.10231	0.7
135.11716	0.9
155.00987	0.7
159.11668	0.8
198.15034	0.6
292.09680	8.4
304.09567	1.0
306.07526	3.3
320.09119	11.2
321.06091	0.7
321.09943	31.3
336.12277	100.0
339.28192	0.6
455.44574	0.5
493.23264	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2581
Annotation	Roxburghine B
Peak:m/z	Relative Intensity
50.76815	0.3
76.13170	0.4
86.09685	0.5
95.04958	2.3
107.04960	17.7
119.08535	0.4
122.48595	0.3
135.08055	100.0
147.08121	1.7
161.09618	1.8
173.09619	6.2
184.07339	3.4
185.07693	0.6
191.10693	0.9
209.11702	11.1
239.51857	0.4
320.09119	1.4
325.17819	5.1
336.12277	6.7
493.25861	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.4
57.03439	8.4
57.07079	15.7
57.11364	1.9
57.40763	1.7
62.41809	1.6
67.05512	25.3
69.07072	31.1
69.08663	1.9
71.08620	10.5
79.05480	9.2
81.07061	32.4
83.04977	2.3
83.08623	29.0
85.10192	2.9
91.05493	4.0
93.07047	11.6
95.08612	32.3
97.06519	2.8
97.10166	17.9
98.98458	37.4
104.05210	1.7
105.07016	2.4
107.08599	12.7
109.10156	27.8
111.08186	2.0
111.11691	1.8
112.05576	1.7
119.08554	3.1
121.10131	17.3
123.11729	9.4
133.10152	14.5
135.00195	1.8
135.11687	8.1
136.99962	2.8
137.05986	4.5
139.11142	1.8
147.11717	2.3
149.13284	2.5
151.11136	9.1
155.01028	48.0
168.13834	9.9
196.13321	12.9
214.14342	4.1
245.22421	2.3
264.58447	2.0
265.25204	4.4
271.71378	2.2
280.26300	3.0
313.27362	12.0
339.28897	84.6
391.20914	67.5
409.21860	2.7
419.26190	1.9
475.28354	25.1
493.27673	100.0
493.39642	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39292	2.4
61.99947	2.4
67.05524	4.0
69.03424	7.0
76.05679	2.6
79.05496	5.1
81.07047	11.4
81.08414	2.8
81.42044	2.9
85.02910	48.2
88.99626	2.4
91.05459	5.3
93.07045	13.6
95.08569	5.9
97.02885	7.0
105.07039	16.4
107.08613	11.4
109.06512	10.5
111.08076	5.4
116.16689	2.8
117.07060	3.6
119.08597	14.3
121.10152	11.7
127.03897	4.8
129.07030	5.0
131.08505	10.6
137.09618	5.6
143.08557	11.2
145.04976	4.3
145.10129	32.4
147.07979	3.0
147.11685	6.6
147.28362	2.9
155.08559	3.5
157.10121	18.7
159.11703	15.7
161.13266	6.0
173.13184	10.7
175.11081	4.1
181.10022	3.0
183.11664	3.6
185.13214	13.0
189.12866	2.9
193.10175	5.0
195.11690	4.6
197.13281	3.7
201.12697	3.5
207.11717	4.6
209.13188	3.0
211.14870	5.0
215.14290	5.6
221.13206	4.6
251.18011	4.7
253.15802	4.7
277.19553	17.2
293.18954	3.1
295.20541	100.0
313.12106	3.0
313.21591	70.6
321.09473	6.9
334.10657	6.3
336.12314	4.8
338.13873	3.0
346.59061	2.9
347.00211	3.0
493.19727	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
57.03436	4.1
57.07083	72.8
58.70101	1.6
63.91356	1.8
67.05511	16.5
69.07087	15.5
69.37782	1.9
70.54800	1.8
71.08632	51.9
72.08135	2.0
75.04499	2.2
81.07061	29.8
81.55473	1.9
83.08639	18.5
85.10187	34.5
95.08601	43.8
97.10172	11.9
109.10161	22.5
121.10193	3.5
123.11719	8.6
145.10074	2.0
167.25171	2.1
239.23642	28.4
241.48628	2.4
257.24722	4.3
313.27362	100.0
314.95630	1.9
323.10089	2.3
331.28394	30.2
336.12207	2.6
493.35257	2.3
510.17694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.0
54.79256	1.9
55.05522	3.7
57.03445	4.7
57.07083	57.8
67.05513	21.1
69.07059	12.4
71.08637	51.8
81.07074	27.1
83.08638	20.5
85.10188	30.9
95.08617	45.0
97.10168	9.6
109.10159	20.2
119.08359	2.2
123.11741	8.6
135.11705	2.1
239.23665	23.7
257.24747	4.2
313.27359	100.0
331.28430	20.1
347.24066	2.1
360.36511	2.2
493.29944	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06626	2.9
113.60788	2.7
123.81932	2.7
127.54839	2.4
149.06039	3.8
163.74748	3.0
165.09085	18.5
176.07101	10.5
177.09093	6.2
192.06651	10.5
192.10199	100.0
194.11783	4.6
199.07465	10.7
225.12775	20.0
229.08574	37.7
249.56200	2.7
255.13791	16.8
257.86307	2.7
318.07495	2.9
319.08267	3.2
320.05469	14.2
320.09210	23.8
321.09918	5.2
322.10562	4.8
323.11093	3.0
328.06094	3.0
329.06708	18.4
333.10004	4.2
334.10773	14.3
336.08560	4.9
336.12268	60.7
339.10892	2.8
342.07538	10.6
344.05484	3.5
344.09235	4.3
350.10306	5.3
352.15256	3.0
356.09085	22.3
358.07175	3.4
364.11960	3.4
372.08658	97.3
400.08209	5.3
416.07614	33.2
426.46671	3.2
432.10797	77.6
445.96494	3.0
462.08395	21.0
470.79355	2.8
476.09695	74.6
494.10663	82.2
494.25189	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	11.5
67.05505	0.5
69.03419	0.9
73.03339	0.5
81.07067	0.8
85.02904	2.9
91.05447	1.2
96.97176	0.5
97.02889	1.1
104.07104	0.7
119.04924	1.1
121.06464	0.6
127.03914	0.8
129.64096	0.5
135.04413	0.8
137.05943	0.8
140.00400	0.6
149.05966	9.6
160.05092	0.6
163.03923	0.7
165.05476	1.3
171.02943	0.6
174.05511	1.0
175.06204	0.8
176.07068	75.2
189.07843	1.2
190.08647	3.4
193.04971	8.2
203.06888	0.6
219.06586	3.8
231.06526	3.7
233.60342	0.6
249.07603	0.8
259.06116	1.2
273.07709	1.1
278.08246	0.7
278.24811	1.2
290.08035	0.6
293.10602	1.2
294.07959	0.8
296.25793	0.7
305.06656	2.3
307.08530	1.0
308.09274	0.8
309.10190	0.8
314.26788	0.7
319.08362	0.9
320.05566	2.1
320.09192	2.2
332.09473	0.6
332.27954	5.6
334.10822	1.2
335.07785	8.9
336.12317	2.6
338.09991	0.8
340.11752	3.3
345.10153	0.7
346.10928	1.2
350.10257	4.3
353.09323	0.7
361.09488	5.1
368.11429	5.2
376.12018	5.7
390.09518	2.6
419.09451	0.7
434.11902	0.6
494.14334	100.0
494.33228	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92448	0.9
58.06602	5.4
64.67390	1.1
70.06577	1.2
74.06087	1.1
84.08121	1.2
107.04947	1.7
109.60721	1.2
119.04967	1.3
120.08128	1.5
125.99628	1.0
132.12584	1.0
136.06200	1.2
176.14520	1.1
242.08209	1.2
251.13869	1.6
290.87909	1.3
292.09644	5.7
298.10803	1.8
308.09140	13.1
320.09183	100.0
321.09769	3.9
322.51874	1.3
323.07452	1.6
326.10266	1.4
328.11673	1.5
328.15439	1.7
328.89169	1.5
336.12195	2.6
415.14471	1.4
450.15628	2.7
494.13876	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27063	1.6
54.51561	1.4
60.43996	1.6
65.70038	1.3
113.26714	1.5
163.38379	1.5
187.60164	1.5
189.22797	1.6
292.09714	2.3
311.68890	1.7
319.08551	2.1
319.13043	1.8
320.09271	9.4
321.09860	3.8
330.11316	6.2
336.12247	22.8
345.09912	6.8
346.10858	2.9
358.10675	11.2
360.08652	3.6
360.12369	8.0
368.09244	3.0
369.10187	2.6
373.09439	2.2
374.10220	52.9
375.10913	11.5
376.11676	7.2
383.11475	7.8
387.10934	7.8
388.11783	97.8
389.12628	28.0
390.13309	7.6
399.10852	3.7
402.13333	30.8
415.09985	2.1
416.11188	9.6
427.10712	3.1
430.12790	3.6
432.14340	25.7
443.10059	2.1
458.12387	67.6
458.86594	1.7
476.13400	100.0
490.63040	1.7
494.15637	2.1
494.21457	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92448	0.9
58.06602	5.4
64.67390	1.1
70.06577	1.2
74.06087	1.1
84.08121	1.2
107.04947	1.7
109.60721	1.2
119.04967	1.3
120.08128	1.5
125.99628	1.0
132.12584	1.0
136.06200	1.2
176.14520	1.1
242.08209	1.2
251.13869	1.6
290.87909	1.3
292.09644	5.7
298.10803	1.8
308.09140	13.1
320.09183	100.0
321.09769	3.9
322.51874	1.3
323.07452	1.6
326.10266	1.4
328.11673	1.5
328.15439	1.7
328.89169	1.5
336.12195	2.6
415.14471	1.4
450.15628	2.7
494.13876	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27063	1.6
54.51561	1.4
60.43996	1.6
65.70038	1.3
113.26714	1.5
163.38379	1.5
187.60164	1.5
189.22797	1.6
292.09714	2.3
311.68890	1.7
319.08551	2.1
319.13043	1.8
320.09271	9.4
321.09860	3.8
330.11316	6.2
336.12247	22.8
345.09912	6.8
346.10858	2.9
358.10675	11.2
360.08652	3.6
360.12369	8.0
368.09244	3.0
369.10187	2.6
373.09439	2.2
374.10220	52.9
375.10913	11.5
376.11676	7.2
383.11475	7.8
387.10934	7.8
388.11783	97.8
389.12628	28.0
390.13309	7.6
399.10852	3.7
402.13333	30.8
415.09985	2.1
416.11188	9.6
427.10712	3.1
430.12790	3.6
432.14340	25.7
443.10059	2.1
458.12387	67.6
458.86594	1.7
476.13400	100.0
490.63040	1.7
494.15637	2.1
494.21457	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.6
67.53442	0.6
69.03428	0.9
74.02439	0.8
81.03445	5.2
85.02912	3.2
87.05611	0.7
88.03989	1.6
97.02953	0.7
103.05497	5.7
105.07035	6.8
107.04960	58.8
115.05447	1.2
117.07020	0.9
117.45848	0.7
120.05731	0.9
123.04405	0.8
125.06006	0.9
127.03941	1.0
131.04950	4.1
133.06506	13.0
134.04449	1.5
135.08052	32.8
143.05943	0.8
145.04996	0.8
145.07646	4.2
149.05917	2.7
153.05510	0.8
160.07578	1.8
161.05956	29.7
163.07538	100.0
167.07034	47.3
178.06529	1.0
180.07826	0.9
181.08611	6.6
185.39255	0.7
192.10193	3.7
193.08601	12.2
195.10167	80.0
199.34041	0.7
211.09656	5.4
213.11224	1.0
291.12241	6.7
331.80057	0.9
373.14917	8.5
494.20541	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.6
67.53442	0.6
69.03428	0.9
74.02439	0.8
81.03445	5.2
85.02912	3.2
87.05611	0.7
88.03989	1.6
97.02953	0.7
103.05497	5.7
105.07035	6.8
107.04960	58.8
115.05447	1.2
117.07020	0.9
117.45848	0.7
120.05731	0.9
123.04405	0.8
125.06006	0.9
127.03941	1.0
131.04950	4.1
133.06506	13.0
134.04449	1.5
135.08052	32.8
143.05943	0.8
145.04996	0.8
145.07646	4.2
149.05917	2.7
153.05510	0.8
160.07578	1.8
161.05956	29.7
163.07538	100.0
167.07034	47.3
178.06529	1.0
180.07826	0.9
181.08611	6.6
185.39255	0.7
192.10193	3.7
193.08601	12.2
195.10167	80.0
199.34041	0.7
211.09656	5.4
213.11224	1.0
291.12241	6.7
331.80057	0.9
373.14917	8.5
494.20541	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1807
Annotation	Oxostephabenine
Peak:m/z	Relative Intensity
50.56255	1.7
52.20579	1.6
68.80749	2.0
83.35760	1.9
86.56741	1.9
125.00275	2.3
128.27585	1.9
182.05043	2.1
289.80469	2.1
330.11185	8.1
332.09180	4.2
338.10522	3.3
339.11145	4.5
347.11401	3.0
348.08679	8.5
352.15250	2.5
358.10657	12.6
359.11002	2.8
360.08429	2.9
374.09872	3.7
374.17462	3.3
376.08206	8.5
389.12555	3.8
391.10492	91.5
392.11218	10.8
402.17026	4.0
404.11191	22.2
416.14948	3.2
447.17065	2.8
448.17517	28.9
476.17059	69.5
494.18118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16658	0.8
70.90537	1.1
72.74532	0.8
74.92436	0.9
78.28925	1.0
82.78026	0.9
86.09696	1.9
222.11208	10.5
302.08209	1.1
316.09555	4.7
318.07599	6.3
318.11005	1.4
319.07959	11.5
320.09213	16.8
321.09808	1.9
324.08459	1.4
330.11340	4.6
331.11890	1.9
332.09085	4.9
336.12335	5.9
338.09991	4.1
338.13718	1.8
339.11023	5.4
344.09067	4.5
345.09946	1.8
347.11493	5.9
348.08636	4.6
358.10648	10.4
358.14368	1.4
359.11566	4.9
360.08597	4.4
360.12387	2.4
361.09381	1.2
362.10168	2.2
372.12360	1.3
374.10172	7.9
374.17529	5.8
376.08054	15.2
376.12173	1.4
377.08707	1.4
388.11414	1.8
388.15704	1.6
389.12637	4.5
390.09705	1.8
390.17154	2.1
391.10495	100.0
392.11215	11.4
400.11169	1.2
402.16974	6.6
404.11206	23.2
415.14487	1.5
416.15009	5.1
430.16754	1.6
432.18201	2.4
448.17673	26.0
466.18939	1.1
476.17056	99.7
494.18808	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48178	1.8
55.01342	1.9
69.07061	1.9
79.05479	2.4
90.75414	2.1
95.08611	2.4
95.86186	1.8
149.26814	2.2
248.30266	2.2
321.09918	4.4
322.10605	3.4
323.11301	3.3
328.19135	2.3
336.12302	24.0
337.12704	3.5
338.13538	13.9
341.35876	2.3
358.10651	3.8
374.09903	3.4
388.15585	3.4
391.10632	14.9
406.12781	12.7
416.14935	18.8
418.16602	16.7
434.11832	49.4
434.16083	74.5
462.15424	30.8
463.16229	25.4
476.20746	4.3
494.17990	100.0
494.24664	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20954	0.7
61.02916	0.9
68.35026	0.9
68.67761	0.8
69.03429	8.2
69.04134	0.7
81.03421	3.6
85.02907	18.3
87.04472	2.2
97.02915	6.5
99.04478	1.4
109.02877	3.8
123.04424	1.2
127.03929	5.3
137.05984	68.7
151.07613	1.7
152.07077	1.9
161.06068	1.8
163.81416	1.0
171.96739	1.0
178.08665	11.5
179.07033	3.3
194.08124	74.7
196.09741	2.0
265.08594	6.5
297.11285	6.4
314.14005	1.7
332.14929	33.3
356.13589	1.1
494.20200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2021
Annotation	Pyronaamidine
Peak:m/z	Relative Intensity
53.20954	0.7
61.02916	0.9
68.35026	0.9
68.67761	0.8
69.03429	8.2
69.04134	0.7
81.03421	3.6
85.02907	18.3
87.04472	2.2
97.02915	6.5
99.04478	1.4
109.02877	3.8
123.04424	1.2
127.03929	5.3
137.05984	68.7
151.07613	1.7
152.07077	1.9
161.06068	1.8
163.81416	1.0
171.96739	1.0
178.08665	11.5
179.07033	3.3
194.08124	74.7
196.09741	2.0
265.08594	6.5
297.11285	6.4
314.14005	1.7
332.14929	33.3
356.13589	1.1
494.20200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	1.2
67.92227	1.4
70.99008	1.2
73.60783	1.1
90.94231	1.2
120.29670	1.3
120.60768	1.3
136.05215	1.9
148.05203	2.5
149.05981	24.2
151.39394	1.6
162.05486	3.0
165.09087	7.7
171.08087	6.8
172.95306	1.5
173.32924	1.5
175.06320	2.7
176.07063	49.1
176.08530	2.2
177.07843	11.0
177.09177	2.9
185.05936	2.0
192.06540	46.2
192.10190	39.1
194.08069	12.4
194.11807	2.0
199.07510	13.8
215.07065	2.5
225.12738	29.1
227.14308	2.1
229.08598	65.4
242.13051	7.6
255.13834	18.5
273.14871	2.1
285.14777	6.1
308.12802	6.9
313.14297	5.9
319.08252	1.5
320.09189	10.5
321.09576	1.9
322.10544	5.6
334.10583	2.5
335.10907	2.8
336.08545	2.6
336.12271	26.1
337.13049	23.0
350.10434	2.1
352.11050	2.1
352.15414	62.5
364.11780	1.8
372.08905	2.3
416.07806	2.3
476.10074	1.8
494.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	1.2
67.92227	1.4
70.99008	1.2
73.60783	1.1
90.94231	1.2
120.29670	1.3
120.60768	1.3
136.05215	1.9
148.05203	2.5
149.05981	24.2
151.39394	1.6
162.05486	3.0
165.09087	7.7
171.08087	6.8
172.95306	1.5
173.32924	1.5
175.06320	2.7
176.07063	49.1
176.08530	2.2
177.07843	11.0
177.09177	2.9
185.05936	2.0
192.06540	46.2
192.10190	39.1
194.08069	12.4
194.11807	2.0
199.07510	13.8
215.07065	2.5
225.12738	29.1
227.14308	2.1
229.08598	65.4
242.13051	7.6
255.13834	18.5
273.14871	2.1
285.14777	6.1
308.12802	6.9
313.14297	5.9
319.08252	1.5
320.09189	10.5
321.09576	1.9
322.10544	5.6
334.10583	2.5
335.10907	2.8
336.08545	2.6
336.12271	26.1
337.13049	23.0
350.10434	2.1
352.11050	2.1
352.15414	62.5
364.11780	1.8
372.08905	2.3
416.07806	2.3
476.10074	1.8
494.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13779	0.9
59.60361	0.9
67.93449	1.1
71.67699	1.0
84.70100	1.0
98.68946	1.1
119.04868	1.3
121.66684	1.5
132.04457	2.8
135.04446	1.3
136.05231	2.6
143.08502	1.4
148.05186	5.5
149.05972	20.8
162.05490	2.5
163.06364	2.0
165.09117	6.4
171.07996	2.0
173.05969	1.5
175.06265	2.4
176.07057	43.0
177.07796	9.7
177.09154	1.8
185.05972	1.6
187.07623	1.4
192.06540	40.4
192.10178	29.4
194.08141	9.5
199.07530	10.2
201.05443	1.3
203.80995	1.1
225.12723	24.8
227.14410	1.8
229.08583	52.7
242.12990	6.8
255.13805	18.3
271.13327	1.7
277.21399	1.3
285.14853	6.8
294.84021	1.3
308.12717	4.6
313.14282	4.5
320.09213	11.2
321.09702	1.5
322.10568	5.9
336.12280	15.4
337.12943	10.2
341.41306	1.4
350.10266	2.7
352.15408	31.3
356.09103	1.6
364.11618	2.2
372.08661	6.4
380.09619	1.3
416.07507	1.5
416.18408	1.3
432.10779	5.9
476.09702	5.8
476.20728	2.3
494.10437	7.7
494.21759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84122	0.8
57.34753	1.0
58.06591	1.2
58.77537	0.9
65.56827	0.9
77.00266	1.0
88.70777	1.0
89.21545	0.9
118.06553	1.2
132.04469	2.4
136.05177	3.7
143.08588	1.5
145.06395	1.1
148.05200	5.1
148.07516	1.0
149.05992	20.6
151.07520	1.3
162.05577	2.2
162.09172	1.5
165.05457	1.4
165.09108	17.6
171.08009	7.2
174.05438	2.4
175.06291	4.8
176.07060	43.0
176.08528	1.7
177.07751	10.5
177.09155	8.7
185.06073	1.4
187.07550	1.6
190.08586	1.3
192.06557	45.6
192.10196	100.0
194.08171	9.0
194.11769	5.1
197.13251	1.3
199.07510	13.3
215.07063	4.2
225.12741	35.1
227.14395	2.3
229.08591	79.0
231.06644	1.2
242.13051	7.6
255.13773	21.3
267.13712	1.3
271.13266	1.1
285.14825	6.5
313.14429	6.7
314.26697	1.1
319.08316	1.7
320.05444	5.9
320.09158	13.3
321.10001	1.9
322.10495	2.4
329.06860	6.9
334.10828	2.4
336.12296	18.7
337.13004	1.5
342.07587	5.8
344.09192	1.8
352.15326	5.5
356.09201	8.7
358.07144	4.7
372.08682	42.4
373.98703	1.1
400.08203	4.9
402.18060	1.8
416.07614	12.7
417.20660	1.6
418.21442	4.1
432.10767	30.1
462.08307	7.7
476.09869	28.4
476.19763	1.2
494.10620	33.5
494.21442	59.4
494.25403	66.6
511.01959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00830	0.5
53.90909	0.6
54.39133	0.7
58.06619	0.8
58.51511	0.6
69.47466	0.6
77.62890	0.7
79.41141	0.7
179.14299	1.0
292.09778	0.7
294.11246	7.7
294.24512	1.0
308.09222	3.0
308.12866	9.9
320.09256	5.3
320.12939	1.5
321.09924	5.5
322.10712	16.4
323.11444	22.7
334.10596	0.8
336.12286	50.8
336.31726	0.8
337.13049	29.6
338.13858	57.2
352.15414	73.6
494.25391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81537	0.5
58.06606	0.7
133.78513	0.7
151.78259	0.7
154.12259	3.8
184.06071	0.6
190.53246	0.7
202.19731	0.6
270.95383	0.7
290.07739	0.7
292.09842	1.2
294.11252	3.5
307.12512	0.8
307.24026	0.7
308.09409	1.3
308.12753	14.9
320.09250	4.7
320.12854	3.2
321.09802	5.6
322.10696	11.5
323.11545	10.5
336.12259	46.7
337.08868	0.7
337.09998	0.8
337.13043	41.5
338.13824	27.9
352.15402	94.8
364.15012	0.7
393.24878	0.7
465.23828	12.3
494.25430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14403	0.6
73.02616	0.6
124.56512	0.6
153.68504	0.8
192.10220	1.4
197.00621	0.7
212.25110	0.8
292.09705	3.0
307.08374	2.7
320.09100	7.8
321.09921	15.4
322.10736	19.1
322.14401	2.5
332.13031	3.3
333.13568	9.8
334.10764	1.1
335.11472	1.3
336.12289	74.3
337.12866	3.3
338.13358	4.2
346.14429	4.8
350.13843	7.4
351.14578	9.3
364.15338	12.9
378.17007	4.1
420.21805	4.7
450.23068	0.9
462.22690	5.8
464.20767	13.8
476.67029	0.8
478.22342	4.0
494.25415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50083	0.6
58.06599	1.3
59.38689	0.7
62.13865	0.7
62.51062	0.9
79.46617	0.8
85.30859	0.8
95.51494	0.8
111.09438	0.9
116.25152	1.1
118.08177	0.8
160.46440	0.9
169.05243	0.9
176.07039	4.4
177.95512	0.9
279.98413	1.0
294.11200	9.2
306.11194	1.2
308.09174	6.3
308.12576	1.0
320.09216	3.9
321.09787	3.0
322.10672	14.6
323.11499	39.8
323.15271	1.6
336.08572	1.9
336.12296	22.6
337.13086	1.7
338.13843	100.0
352.15482	3.4
386.18625	0.9
396.14554	1.2
438.19113	1.0
464.24451	1.1
466.18494	1.1
486.41052	0.9
494.25360	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	2.4
61.81292	0.9
75.45441	0.9
81.07066	1.1
94.13638	1.0
107.08599	1.3
146.24913	1.2
176.07086	8.4
245.11806	1.1
294.11224	7.9
308.09241	4.8
318.07834	1.2
320.09143	7.3
321.10065	4.0
322.10736	19.6
323.11523	37.3
334.10809	4.2
336.08682	3.4
336.12228	20.2
338.13846	100.0
349.10049	1.1
350.73547	1.1
494.14841	2.0
494.25433	68.4
494.62952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05519	1.2
55.88576	0.9
56.05037	1.5
57.07067	1.3
58.06608	100.0
58.88134	0.9
59.18295	0.8
67.05508	2.2
69.07062	5.7
72.69821	0.9
76.07651	4.2
77.72633	0.9
79.05525	1.0
81.07043	4.8
83.08623	5.6
83.24741	0.8
95.08602	3.9
97.10174	2.1
103.57669	1.0
109.10145	1.8
188.82057	1.0
299.21719	1.1
339.28937	27.2
470.33926	1.1
476.31284	7.1
494.32416	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3234
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
52.94217	0.6
53.36031	0.6
55.05521	1.6
57.03431	0.7
60.08171	10.2
67.05518	3.2
69.07069	5.1
70.21643	0.9
71.07381	1.8
76.63505	0.7
79.18272	0.7
81.07068	3.0
83.08630	3.6
86.09708	36.4
93.07094	1.4
94.11906	0.7
94.41411	0.7
95.08614	1.6
97.10179	1.2
98.98486	3.2
104.10747	82.7
107.08607	1.6
109.10172	2.7
111.08097	0.7
121.10139	2.8
121.20904	0.7
125.00001	17.3
135.11717	1.0
141.94299	0.8
155.01047	1.0
184.07338	100.0
205.19565	0.9
223.20761	0.8
240.76073	0.8
315.25391	1.3
322.31137	1.1
340.29245	4.0
373.46664	0.8
457.47583	0.7
476.30829	4.9
494.32449	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29036	0.2
57.03426	0.3
58.06602	0.3
60.08175	4.9
67.05470	0.3
69.07044	0.6
70.06599	0.3
71.07357	1.0
81.07043	0.4
83.08623	0.3
86.09715	21.1
90.09735	0.3
95.08553	0.5
98.98461	0.6
104.10755	2.5
109.10146	0.3
114.26109	0.3
125.00005	10.9
128.11142	0.3
167.45882	0.3
174.72282	0.3
176.13107	0.3
181.71698	0.3
184.07349	100.0
190.05016	0.3
300.28912	0.5
322.10748	1.2
336.12561	0.3
387.96286	0.3
476.31259	1.5
494.25934	0.7
494.32541	14.2
494.40448	1.6
499.92401	0.3
510.92288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05516	0.7
55.42268	0.4
57.03449	0.5
59.24725	0.4
60.07922	0.7
60.08173	12.4
64.42085	0.4
64.85328	0.4
69.07040	0.8
71.07368	2.3
81.07050	0.7
83.08617	1.1
86.09714	36.9
95.08568	0.6
97.10237	0.5
97.42668	0.5
98.98468	0.9
102.49171	0.5
104.10749	83.0
125.00004	16.2
135.11661	0.8
136.55629	0.5
175.29318	0.5
184.07343	100.0
204.94839	0.5
311.25827	0.9
476.31256	5.3
494.32401	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.07074	2.0
60.08171	13.8
63.85883	1.2
67.05511	1.8
69.07059	3.5
69.34044	1.1
75.46785	1.4
76.44792	1.3
81.07063	5.8
81.36027	1.4
83.08640	2.5
86.09711	40.1
89.15736	1.4
92.21597	1.6
93.07009	1.6
94.53789	1.3
95.08601	2.5
97.10204	1.9
104.10748	90.5
104.11440	3.2
107.08598	1.9
124.99977	15.6
135.11751	2.0
140.99500	1.6
145.68452	1.5
146.17827	1.5
184.07336	100.0
200.45137	1.5
203.53169	1.5
265.29172	1.5
281.26465	1.8
398.46136	1.6
476.31412	3.1
494.32520	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74094	0.8
55.05520	13.2
57.03448	8.7
57.07092	9.0
58.06610	19.9
66.31264	0.7
67.05515	11.1
67.99248	0.7
69.07075	24.9
69.24788	0.9
69.41045	0.8
71.08638	7.3
71.08950	0.8
79.05481	1.5
81.07051	14.3
81.62483	0.9
83.08632	19.6
84.39211	0.9
85.06535	1.1
85.10175	4.1
85.91679	0.8
92.20963	2.1
93.07049	5.7
95.08611	18.8
97.06532	1.7
97.10172	13.5
104.10734	2.1
104.90492	0.8
105.29680	1.0
107.08603	6.1
109.10143	9.9
110.37065	0.9
111.11732	4.3
118.29058	0.9
121.10132	7.0
123.11707	1.6
135.11696	5.8
149.13307	3.3
156.04184	5.8
169.46049	1.0
171.66959	0.9
176.12807	1.1
248.12645	0.9
295.73517	1.1
296.38297	1.1
339.28934	100.0
346.83133	1.2
418.36819	1.0
494.32437	4.8
494.42480	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74094	0.8
55.05520	13.2
57.03448	8.7
57.07092	9.0
58.06610	19.9
66.31264	0.7
67.05515	11.1
67.99248	0.7
69.07075	24.9
69.24788	0.9
69.41045	0.8
71.08638	7.3
71.08950	0.8
79.05481	1.5
81.07051	14.3
81.62483	0.9
83.08632	19.6
84.39211	0.9
85.06535	1.1
85.10175	4.1
85.91679	0.8
92.20963	2.1
93.07049	5.7
95.08611	18.8
97.06532	1.7
97.10172	13.5
104.10734	2.1
104.90492	0.8
105.29680	1.0
107.08603	6.1
109.10143	9.9
110.37065	0.9
111.11732	4.3
118.29058	0.9
121.10132	7.0
123.11707	1.6
135.11696	5.8
149.13307	3.3
156.04184	5.8
169.46049	1.0
171.66959	0.9
176.12807	1.1
248.12645	0.9
295.73517	1.1
296.38297	1.1
339.28934	100.0
346.83133	1.2
418.36819	1.0
494.32437	4.8
494.42480	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40958	1.1
55.05523	1.8
60.04531	78.2
61.02928	1.5
67.05502	3.2
69.03433	6.3
69.07074	1.7
74.06099	1.8
76.70969	1.4
81.03416	1.4
81.07079	6.8
85.02897	21.0
93.07032	6.2
95.08602	7.2
97.02905	5.8
102.05551	2.7
107.08607	3.3
109.10167	2.1
119.08578	1.4
121.06501	1.7
121.10160	1.6
127.03909	2.9
133.10144	1.8
135.11728	1.9
176.07063	2.3
224.11252	2.0
260.23883	1.6
278.24826	6.6
296.25851	6.3
314.26929	6.9
320.59158	1.5
321.09845	1.5
332.27975	34.8
336.12311	2.7
345.07397	1.7
494.14499	2.0
494.33264	100.0
497.20438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00706	0.6
56.05037	4.2
58.08354	0.8
59.26626	0.7
61.84848	0.7
67.05507	3.6
69.07066	3.1
79.05537	0.8
81.07052	1.2
93.07067	1.7
95.08590	1.3
97.10181	1.4
107.67049	1.0
109.10157	8.7
113.07133	1.3
119.08572	1.5
125.09659	1.3
136.11218	2.9
137.09593	3.3
153.13937	6.5
154.12267	100.0
158.06548	0.8
171.14920	16.9
178.51579	1.1
185.42693	0.8
207.94798	0.9
236.51122	0.9
267.07928	0.9
272.20081	5.3
289.22681	8.2
290.21121	4.9
305.22256	0.8
306.20547	1.4
306.25409	3.3
307.23782	36.9
307.27310	1.2
320.09045	9.7
321.09821	1.9
323.07947	7.3
324.21707	1.8
324.26401	6.0
334.10562	0.9
336.12238	7.5
339.71994	1.0
341.23990	0.9
350.10297	1.2
364.11624	1.0
476.34619	3.3
484.11255	1.0
494.22079	7.9
494.35858	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83327	0.4
56.05033	4.3
58.06596	0.7
67.05511	3.5
69.07060	2.3
77.27483	0.5
79.05479	0.6
81.07039	0.8
83.08617	0.8
91.05470	0.9
95.08614	1.3
97.10160	1.0
107.08604	1.0
109.10147	9.4
111.08105	0.6
111.11715	0.7
119.08567	3.3
121.06506	0.5
124.11237	1.0
125.09595	0.8
136.11232	2.5
137.09601	4.6
153.13837	4.3
154.12263	100.0
163.12871	0.6
171.14911	21.0
172.13324	0.9
262.84296	0.7
272.20108	3.5
289.22772	8.8
290.21005	4.0
292.09735	0.6
305.22260	1.2
306.20703	2.5
306.25565	4.4
307.08420	0.9
307.23788	40.8
319.08337	2.0
320.09146	3.6
321.09650	2.1
322.10077	2.5
324.21991	2.0
324.26523	5.4
334.10757	2.8
336.08734	0.8
336.12320	5.7
377.36353	0.6
476.34747	5.0
477.32867	0.8
479.12256	0.7
486.62155	0.7
494.14328	3.3
494.21048	1.0
494.35864	27.5
494.63672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.05030	5.0
65.32952	0.7
67.05502	1.2
69.07057	2.9
69.78952	0.6
81.07033	1.0
91.05515	0.8
93.06987	0.8
95.08619	1.2
97.10205	1.0
109.10158	9.0
119.08583	3.1
135.08076	0.7
136.11198	2.8
137.06001	0.7
137.09622	3.2
152.01122	0.8
152.10614	0.7
153.13911	5.1
154.12262	100.0
158.24962	0.7
159.56984	0.7
170.11778	0.9
171.14906	17.5
192.13770	0.9
210.85336	0.7
217.60887	0.8
243.10962	0.7
272.20023	5.0
289.22849	7.3
290.21149	3.3
292.62906	0.7
305.22153	0.9
306.20407	1.3
306.25470	1.4
307.23776	41.1
321.24942	0.8
324.21860	1.4
324.26440	6.5
335.11819	0.7
394.40179	0.8
476.34418	5.7
494.35840	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.5
57.46941	0.8
57.93279	0.7
58.06601	3.4
60.22183	0.8
65.17489	0.8
68.66833	1.0
70.06595	13.6
71.08613	1.1
72.08176	1.0
72.88271	0.7
81.07082	1.0
81.27342	0.8
82.35326	0.8
84.08141	4.9
85.85193	0.7
86.09696	5.2
88.07632	1.0
89.06039	5.9
102.06382	1.0
109.10172	0.8
114.09173	6.2
118.03473	0.9
132.10275	1.3
176.12817	7.6
190.14403	5.7
195.90933	0.9
212.23769	4.1
220.15459	3.4
234.17091	1.9
238.25360	4.4
240.26894	1.8
256.26419	4.2
300.29102	12.9
336.12253	1.4
344.31619	43.5
352.15488	1.7
388.34225	26.4
494.40530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.6
58.06596	0.8
58.24810	0.6
70.06595	15.5
71.08627	1.3
72.08163	1.1
84.08148	7.1
86.09705	6.0
88.07655	1.2
89.06038	6.8
114.09156	9.0
132.10223	2.9
146.11771	1.2
149.24892	0.6
176.12793	5.6
184.07419	0.9
190.14401	4.5
212.23766	4.4
220.15486	2.8
234.17081	3.2
235.58949	0.7
238.25311	6.5
240.26682	2.3
256.26465	3.1
300.28937	13.8
321.10226	0.7
336.12393	4.6
344.31570	43.5
388.34180	32.8
432.36765	2.8
436.14597	0.7
471.17648	0.9
494.21619	4.6
494.40540	100.0
512.59125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66729	0.7
57.07075	3.6
58.06601	3.2
67.05545	1.1
70.06596	14.6
71.08635	1.5
72.08167	1.6
77.22322	0.8
84.08148	4.1
86.06058	0.9
86.09698	3.9
89.06032	6.2
102.13387	0.9
114.09159	10.0
120.24772	0.9
141.54256	0.8
154.12344	1.6
176.12895	4.8
190.14462	3.8
198.15501	0.8
208.08911	0.9
212.23798	4.6
220.15503	2.0
234.16943	1.3
238.25346	6.4
240.27054	1.0
256.26373	2.1
300.29126	1.0
336.12366	1.5
344.31616	57.1
352.15445	1.4
388.34204	33.4
388.38910	1.8
408.58417	0.9
494.25949	5.0
494.40549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	11.6
59.05013	4.8
65.73563	5.7
67.05507	36.0
69.07062	32.3
71.04981	12.8
79.05505	28.4
80.56178	5.0
81.07066	96.5
83.08659	6.3
91.05475	12.2
93.07043	76.2
95.04957	7.0
95.08606	87.9
105.07044	48.8
107.08596	100.0
109.10152	65.8
119.08568	37.3
121.10126	43.0
123.11694	21.8
131.08546	8.7
133.10130	27.0
135.11717	43.8
138.17928	7.7
145.10059	6.9
147.11673	34.4
149.13257	23.1
159.11671	11.0
161.13278	12.8
163.14798	8.1
173.13304	9.9
175.14799	10.6
187.14650	6.0
203.17943	7.9
226.85860	7.1
246.32864	7.1
252.44353	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43928	0.6
58.06595	0.8
59.98151	0.6
62.47390	0.7
69.03458	1.0
85.02912	1.5
87.68759	0.6
105.10827	0.7
106.83890	0.7
107.10704	0.7
110.23792	0.7
122.06804	0.9
136.52654	0.7
146.92296	0.6
158.93384	0.6
162.43996	0.7
163.13857	0.6
198.40556	0.7
224.18861	0.7
229.06090	9.4
257.05487	0.8
259.08701	6.7
266.56635	0.6
287.08163	15.4
305.09204	100.0
307.08575	0.7
320.09055	3.3
333.08698	57.4
334.10803	3.6
336.12292	1.3
337.12497	1.0
347.10349	3.9
465.20642	0.8
477.12939	6.9
495.14047	49.3
495.21097	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84646	0.7
65.74859	0.6
67.26610	0.7
69.03429	0.9
75.36636	0.8
85.02907	4.0
91.26637	0.7
92.59129	0.7
97.02935	0.9
111.47044	0.8
119.10558	0.8
119.30552	0.7
127.03931	1.0
143.01871	0.8
145.03607	0.7
155.01898	3.8
159.05035	3.3
161.02982	1.7
173.02916	3.5
177.06087	1.8
183.05066	1.8
187.04546	0.9
195.05052	1.1
201.04350	1.6
201.06071	33.7
203.04024	1.3
203.82378	0.9
213.04158	1.4
213.06084	26.4
215.07619	3.4
219.07159	10.5
221.05086	7.9
225.06085	4.0
231.07155	14.4
237.06017	2.7
243.07153	16.1
245.05066	1.2
255.07239	1.5
256.63571	1.0
273.08075	0.8
285.08170	1.6
303.09232	100.0
321.10330	31.7
335.98578	0.9
355.10596	1.4
495.15875	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84646	0.7
65.74859	0.6
67.26610	0.7
69.03429	0.9
75.36636	0.8
85.02907	4.0
91.26637	0.7
92.59129	0.7
97.02935	0.9
111.47044	0.8
119.10558	0.8
119.30552	0.7
127.03931	1.0
143.01871	0.8
145.03607	0.7
155.01898	3.8
159.05035	3.3
161.02982	1.7
173.02916	3.5
177.06087	1.8
183.05066	1.8
187.04546	0.9
195.05052	1.1
201.04350	1.6
201.06071	33.7
203.04024	1.3
203.82378	0.9
213.04158	1.4
213.06084	26.4
215.07619	3.4
219.07159	10.5
221.05086	7.9
225.06085	4.0
231.07155	14.4
237.06017	2.7
243.07153	16.1
245.05066	1.2
255.07239	1.5
256.63571	1.0
273.08075	0.8
285.08170	1.6
303.09232	100.0
321.10330	31.7
335.98578	0.9
355.10596	1.4
495.15875	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Herkesterone
Peak:m/z	Relative Intensity
57.03431	10.5
60.13569	8.1
61.02941	16.3
64.93104	9.1
66.89688	7.3
67.05496	14.9
68.26835	8.4
69.03426	12.0
69.07053	12.0
70.25452	7.9
73.02897	10.7
79.05497	23.9
80.26283	9.9
81.07067	51.6
84.77361	9.8
85.02929	13.7
91.05500	23.9
93.07043	48.4
95.08599	33.0
97.04061	9.6
105.07014	37.8
107.08598	40.5
109.10201	12.0
117.07011	10.7
119.08590	42.5
121.10165	18.8
129.07033	17.3
131.08557	39.7
133.10147	37.7
135.11656	13.0
143.08588	18.7
145.10127	37.1
146.88426	10.5
147.11703	15.3
155.08578	11.4
157.10139	18.0
159.11679	15.7
170.10175	11.1
171.11530	12.9
207.10455	11.2
210.85002	11.2
214.21385	11.3
320.09225	20.1
321.09604	13.1
322.10178	12.9
337.12677	18.5
435.55450	11.4
441.26382	40.6
459.27216	42.7
477.28412	19.3
486.64508	12.4
495.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	15.0
57.03447	9.6
61.02928	16.0
64.40053	3.7
67.05500	26.5
69.03423	15.6
69.07047	7.3
73.02911	5.5
79.05502	29.3
81.07078	29.1
82.55639	3.6
83.04984	4.2
85.02911	20.4
91.05467	21.4
93.07057	31.8
95.08612	24.1
97.02901	10.2
105.07041	31.2
107.04999	5.3
107.08578	20.6
109.10201	7.3
117.06995	19.6
117.12173	4.1
119.08576	26.6
121.06509	4.2
121.10164	20.1
123.08057	4.7
129.06982	7.4
131.08569	30.1
131.35164	4.0
133.10153	17.3
143.08562	17.6
145.10135	28.4
147.08049	6.5
147.11682	19.7
157.10088	14.3
159.08015	4.3
159.11685	22.6
162.27084	4.7
169.10107	6.6
171.11700	21.3
172.01358	4.5
173.13242	8.9
183.11763	8.7
185.13281	17.0
197.13211	4.9
201.12625	4.6
223.14720	5.8
241.19568	5.1
333.24255	6.4
336.12653	4.6
353.15897	9.1
367.22693	6.5
375.25458	7.0
387.25153	5.0
417.26266	10.0
429.26093	4.8
441.26270	24.8
459.27222	24.7
477.28604	33.8
495.29770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86739	3.3
53.79259	3.9
54.30131	3.4
61.79073	3.2
67.05491	4.8
69.03415	8.2
70.41723	3.6
79.05473	5.1
81.07058	6.5
81.67818	4.0
85.02905	54.1
87.07240	3.4
93.07057	9.2
95.08591	5.6
96.61308	4.3
97.02888	9.2
99.04459	4.5
105.07014	16.2
107.08569	8.3
109.06495	4.5
119.08550	6.7
133.10114	6.5
143.08536	6.6
145.10133	23.5
147.11627	6.8
157.10107	8.7
159.11687	20.9
171.11679	4.9
173.13290	5.7
185.13316	4.3
185.21977	4.0
187.11137	4.8
197.13286	6.1
213.16446	5.5
232.00583	4.5
279.20938	9.0
297.22089	100.0
315.23117	40.0
320.08865	5.7
321.09695	16.5
335.11279	4.6
336.12393	42.1
337.12680	17.4
390.10965	4.8
477.28387	17.4
495.16129	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06303	2.3
55.05507	6.7
57.07078	11.4
67.05512	29.7
69.07066	20.3
71.08632	4.3
71.18084	3.3
78.23730	3.1
79.05498	12.3
81.07060	27.5
83.08601	20.9
84.13011	2.7
86.06071	4.1
93.07047	17.9
95.08619	29.9
97.06550	3.4
97.10172	32.4
100.07643	4.1
104.10780	3.9
105.07000	4.9
107.08596	37.0
108.90865	2.8
109.10171	19.4
121.10116	6.0
123.11691	6.3
124.11235	11.8
125.09631	45.5
133.10214	2.9
135.08060	19.0
135.11650	6.8
137.87059	3.0
142.12273	18.0
147.11702	4.5
152.10760	4.1
152.14319	3.0
153.09113	17.4
154.12193	6.9
161.13298	3.8
163.14894	3.2
170.11748	62.7
171.10133	6.4
181.08597	6.4
182.15437	4.4
189.11208	30.7
198.14815	5.0
216.12312	100.0
221.09752	3.1
245.22711	4.5
263.23792	12.4
280.26309	33.5
340.29321	4.8
343.35895	3.6
460.37952	4.2
477.40347	3.6
495.42075	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07013	2.2
54.99654	2.1
55.05519	3.5
55.22295	2.1
57.07077	3.2
67.05501	12.5
69.07071	15.4
71.08652	2.7
79.05518	2.6
81.07063	15.6
83.08616	11.1
87.84320	2.3
92.21458	3.1
93.07035	3.9
95.08615	21.2
97.06519	3.7
97.10177	4.1
107.08617	5.1
109.10166	9.7
114.09169	2.9
118.93693	2.1
119.08550	4.2
121.10139	4.3
127.13983	2.6
135.11755	20.3
152.14383	10.2
153.12761	12.9
166.19676	2.6
170.15428	9.9
179.57150	2.3
180.13902	3.7
198.14905	100.0
216.15941	31.6
245.22658	2.6
263.23685	3.7
280.26407	18.4
285.89197	3.0
495.36417	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
57.07069	3.2
65.07517	1.8
67.05502	5.4
69.07059	9.2
69.52151	1.8
81.07051	8.8
81.65884	2.3
83.08624	8.8
88.69699	2.2
93.07030	3.8
95.08610	13.3
97.06528	2.3
97.10152	9.3
103.87518	2.1
107.08599	17.1
109.10123	8.1
119.08506	3.1
124.11233	2.2
124.60209	2.0
125.09623	15.5
128.87187	2.1
133.10144	3.1
135.08052	11.6
135.11707	3.8
142.12231	5.2
147.11554	2.2
153.09090	8.9
153.12755	2.8
170.11757	100.0
171.10231	2.2
188.12762	22.8
198.14882	20.1
199.31059	2.2
206.71889	2.2
216.16031	2.9
237.87227	2.1
308.26031	2.6
308.29514	13.6
349.96521	2.5
475.92862	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.6
57.07087	17.4
57.97458	2.2
60.27168	2.1
67.05509	28.3
69.07076	37.6
71.08625	5.9
72.82409	3.0
79.05492	10.9
81.07056	42.0
83.08624	34.4
86.06065	4.3
89.71887	2.6
91.05487	4.4
93.07034	20.4
95.08598	51.8
97.06519	16.4
97.10183	16.2
100.07592	9.7
104.10786	4.4
105.07039	5.7
107.08597	18.1
109.10174	30.1
111.08129	5.1
111.11710	9.3
114.09168	6.2
119.08565	5.6
121.10141	13.3
123.11703	5.4
125.09563	3.1
133.10120	12.5
135.11690	38.1
137.09715	2.8
137.13339	2.5
147.11687	10.5
149.13249	4.1
152.14392	25.1
153.12740	10.7
161.13287	5.2
163.11154	3.3
170.15404	5.5
178.07193	2.7
179.14310	17.5
184.07317	9.6
184.13370	2.8
185.00839	2.7
198.13124	4.8
198.14886	100.0
216.16005	28.3
242.63651	2.7
245.22598	5.8
263.23712	12.4
274.07269	2.5
277.21655	10.0
280.26227	23.4
294.24359	15.4
298.27478	5.1
392.01547	2.6
400.26102	4.8
495.34454	4.2
495.41776	85.1
497.16403	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.2
60.32095	0.8
64.58502	0.8
92.14028	0.9
98.69326	0.9
99.04420	1.6
105.58371	0.8
123.27025	1.0
173.10461	1.1
248.89761	1.1
289.07315	4.3
291.05234	1.1
291.08755	1.9
307.08423	1.1
308.05630	11.9
318.07559	2.4
319.08386	11.6
320.09036	2.1
334.10712	13.2
335.07846	7.8
337.05832	26.5
352.08124	62.0
360.08563	1.2
372.08746	1.2
401.08539	1.0
404.07611	5.8
408.12158	1.8
423.11142	1.4
432.10794	4.7
434.12051	1.1
436.11884	10.7
448.06161	1.0
450.08340	1.0
452.11151	2.2
464.11273	2.3
468.14288	4.0
478.11307	35.2
480.10681	1.6
481.11649	1.6
496.13519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	1.1
99.04465	0.5
103.75993	0.5
120.30406	0.5
164.45659	0.5
170.97601	0.6
202.55273	0.6
219.42090	0.5
249.52515	0.5
261.07782	0.8
289.07373	3.1
291.08823	0.8
304.05917	0.6
307.08185	1.6
308.05560	3.7
318.07684	2.3
319.08276	9.6
320.09137	2.6
323.07834	0.7
334.07214	0.8
334.10718	4.8
335.07880	8.6
337.05823	7.7
342.07538	1.0
351.07364	1.0
352.08090	14.2
360.08649	0.7
367.12860	0.5
381.63541	0.6
404.07733	2.3
408.12482	2.1
423.11090	2.0
424.11804	0.9
436.11902	8.9
451.10300	0.7
452.11389	3.0
453.12216	1.9
464.11304	4.1
468.14554	2.4
478.11368	11.2
480.10660	2.4
481.11465	3.3
496.13776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06290	0.6
66.14979	0.5
74.06083	0.6
104.64042	0.6
120.18518	0.5
192.06595	0.8
261.07822	0.7
277.07272	1.4
289.07416	4.7
307.08185	2.1
318.07663	2.9
319.08273	6.9
320.09198	1.3
321.09772	0.6
334.10797	0.9
335.07819	10.9
351.07288	1.4
408.12363	2.6
423.10910	2.8
424.11838	1.5
436.11862	12.1
452.11105	2.6
453.11963	1.5
464.11377	3.7
468.14355	3.1
480.10730	1.4
481.11539	2.5
496.13879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06290	0.6
66.14979	0.5
74.06083	0.6
104.64042	0.6
120.18518	0.5
192.06595	0.8
261.07822	0.7
277.07272	1.4
289.07416	4.7
307.08185	2.1
318.07663	2.9
319.08273	6.9
320.09198	1.3
321.09772	0.6
334.10797	0.9
335.07819	10.9
351.07288	1.4
408.12363	2.6
423.10910	2.8
424.11838	1.5
436.11862	12.1
452.11105	2.6
453.11963	1.5
464.11377	3.7
468.14355	3.1
480.10730	1.4
481.11539	2.5
496.13879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80890	0.4
56.30565	0.3
66.61346	0.3
73.02965	0.4
76.11787	0.4
77.42827	0.3
81.94175	0.3
84.04467	0.3
89.96415	0.3
92.10572	0.3
136.91425	0.4
168.70772	0.4
261.07889	0.7
265.07367	0.5
277.07346	1.5
284.53156	0.4
289.07324	5.4
290.08203	0.4
291.08847	0.7
293.06836	0.7
306.07645	0.9
307.08417	1.7
318.07703	2.7
319.08377	9.7
334.06992	0.7
334.10757	1.7
335.07901	9.0
335.11633	0.6
351.07388	2.3
352.08063	0.6
380.13074	0.5
381.63693	0.5
408.11954	2.9
423.10864	3.2
424.11694	0.8
427.10422	0.6
433.09277	0.4
434.10342	0.7
436.11761	9.5
442.26022	0.4
451.10556	0.6
452.11182	3.1
453.12259	2.6
464.11142	4.0
466.12897	0.7
468.14520	2.7
480.10815	3.3
481.11548	2.8
496.13873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35429	0.4
52.03389	0.4
53.15728	0.4
53.58283	0.4
58.06590	3.3
70.06577	1.3
75.07281	0.5
82.97495	0.5
86.08276	0.6
90.16473	0.5
104.26184	0.5
104.44716	0.6
107.04863	0.7
110.00197	0.6
114.03015	0.6
133.06842	0.5
134.03531	0.6
158.50853	0.6
164.07092	0.7
190.08589	0.8
203.29689	0.6
246.13490	0.7
291.08902	4.3
304.09286	0.6
307.08179	0.7
318.23624	0.6
319.04675	0.8
319.08365	23.2
320.09103	0.7
322.10550	3.5
330.15741	0.6
334.10739	100.0
416.25836	0.6
485.80032	0.6
496.15790	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62323	0.6
56.39594	0.6
58.06609	0.7
60.41545	0.6
73.30087	0.6
81.07059	1.6
109.07940	0.7
121.06542	1.5
135.11662	0.7
146.81149	0.7
149.06049	0.8
152.05742	1.3
174.05553	0.8
240.56825	0.9
280.09756	1.0
281.10651	0.9
291.08914	0.9
292.09747	1.0
296.09271	1.6
308.09262	4.8
310.10760	1.5
319.08514	1.2
320.09113	0.9
321.09836	2.9
322.07153	4.7
324.08853	1.3
334.10776	1.5
336.04996	0.8
336.08521	1.6
336.12210	3.0
337.09567	1.1
338.10193	4.7
350.10300	1.1
351.07294	3.3
352.08142	62.8
352.11633	3.7
366.09698	24.1
367.10495	35.0
368.11267	1.1
408.10638	2.9
496.15982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07995	1.2
67.05525	2.3
71.90602	1.2
81.07070	1.6
89.41015	1.5
91.05485	10.2
93.07095	1.6
95.52633	1.2
116.52986	1.1
117.06955	1.2
119.04953	14.2
119.08594	1.4
123.57438	1.3
129.27634	1.2
137.05948	3.0
140.83963	1.4
149.05981	100.0
159.04407	1.6
159.88412	1.4
161.05983	5.3
185.97763	1.4
189.05537	2.6
192.06592	1.6
193.04974	1.9
217.04948	8.9
263.06256	1.8
320.09058	6.9
321.09793	1.7
324.08759	2.6
336.12238	2.8
338.10571	10.3
338.13806	2.2
339.10980	5.6
365.08469	2.1
366.09628	6.5
408.10721	67.1
426.11609	1.9
478.15002	2.6
496.15985	21.1
496.27585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53597	0.5
55.01879	0.9
57.03434	0.6
58.63139	0.5
61.02933	4.7
69.03442	5.6
71.04977	0.7
73.02921	2.3
75.20103	0.5
81.03431	2.3
82.84740	0.5
85.02909	42.1
87.04451	0.9
91.03943	2.7
91.05495	3.4
97.02898	10.2
99.04445	3.1
107.04986	0.6
107.16101	0.5
109.02895	4.4
119.04940	2.7
126.05547	0.8
127.03902	10.9
137.05980	100.0
138.05508	0.6
145.04974	12.6
149.06023	0.7
151.07553	4.2
155.07005	8.7
160.63011	0.5
161.05992	1.0
163.06021	4.1
163.07399	0.9
165.05469	1.9
167.07011	2.1
175.07495	1.1
179.06989	5.0
189.09227	0.6
195.10191	0.7
203.06992	4.4
217.08574	0.7
221.08086	1.2
233.07918	0.5
245.08035	2.8
251.09195	0.9
263.09106	5.4
281.10098	3.8
299.11230	1.2
317.12326	11.0
325.11322	4.6
496.19858	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19971	0.6
53.03943	0.7
61.02929	1.2
69.03420	4.4
70.64385	0.8
71.05006	1.0
71.94024	0.8
73.02909	1.1
76.62967	0.8
81.03416	1.7
85.02905	36.5
87.04447	0.9
91.03918	1.3
91.05499	5.8
92.57968	0.8
97.02882	11.2
99.04456	1.2
109.02859	4.8
116.04701	0.8
119.04941	1.9
127.03912	10.3
129.10248	1.4
137.02353	1.9
137.05978	100.0
145.04982	10.8
151.07545	3.6
155.07028	8.9
157.47261	0.9
161.06024	1.0
161.92406	0.8
163.05997	5.2
165.05505	1.0
167.07036	1.0
175.07515	0.9
179.07085	3.9
195.10149	1.0
199.07603	1.2
203.07014	3.9
205.01219	0.8
214.27560	0.8
217.08609	1.2
229.14978	0.7
240.28810	0.8
263.09134	3.6
281.10254	6.0
299.11298	2.0
317.12347	7.0
325.11264	3.8
343.14148	0.8
373.28845	0.8
400.54413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19971	0.6
53.03943	0.7
61.02929	1.2
69.03420	4.4
70.64385	0.8
71.05006	1.0
71.94024	0.8
73.02909	1.1
76.62967	0.8
81.03416	1.7
85.02905	36.5
87.04447	0.9
91.03918	1.3
91.05499	5.8
92.57968	0.8
97.02882	11.2
99.04456	1.2
109.02859	4.8
116.04701	0.8
119.04941	1.9
127.03912	10.3
129.10248	1.4
137.02353	1.9
137.05978	100.0
145.04982	10.8
151.07545	3.6
155.07028	8.9
157.47261	0.9
161.06024	1.0
161.92406	0.8
163.05997	5.2
165.05505	1.0
167.07036	1.0
175.07515	0.9
179.07085	3.9
195.10149	1.0
199.07603	1.2
203.07014	3.9
205.01219	0.8
214.27560	0.8
217.08609	1.2
229.14978	0.7
240.28810	0.8
263.09134	3.6
281.10254	6.0
299.11298	2.0
317.12347	7.0
325.11264	3.8
343.14148	0.8
373.28845	0.8
400.54413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76843	1.6
58.06617	3.2
66.77620	1.9
110.73022	1.9
112.15052	2.2
127.06510	2.1
138.09125	4.2
174.09148	21.5
190.04980	10.2
205.45850	1.8
213.91280	2.3
215.11894	3.3
216.12621	2.3
223.29643	1.9
223.38582	1.9
225.10249	7.8
236.58679	1.9
239.81129	1.9
240.12619	3.4
243.11266	2.8
253.09676	3.3
255.11349	3.8
267.11304	33.4
281.09314	3.3
281.12646	2.2
284.11624	2.3
295.10745	37.7
299.10471	4.6
299.13846	11.7
308.05542	9.1
309.12350	16.4
313.11829	3.2
321.09729	2.9
327.13354	57.7
334.15677	8.8
335.16306	2.9
336.12518	12.4
337.05762	29.9
342.07867	2.7
348.13431	19.4
348.17017	6.0
349.14127	2.8
352.08099	53.2
362.14728	11.6
362.18826	11.0
363.15573	3.4
364.16425	9.1
372.16876	10.6
373.15329	3.2
376.16537	13.1
377.17102	3.6
390.13828	4.6
390.18500	23.1
396.19287	2.5
400.16364	16.8
418.17511	22.6
422.17130	11.8
432.11011	3.2
436.18625	45.3
446.17001	20.1
464.18158	84.7
478.11224	34.8
478.19498	17.1
496.12457	21.2
496.20612	100.0
519.95349	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
70.06573	0.5
81.03429	2.6
85.02924	0.7
91.05469	1.2
93.07047	4.1
95.04967	2.7
97.02867	1.2
98.06021	1.0
99.04451	13.8
103.05482	1.2
104.19453	0.6
107.04958	14.2
108.04490	11.8
121.06505	100.0
122.06027	41.4
126.05547	2.4
127.03950	0.6
144.06583	2.8
148.07619	3.0
150.09154	2.4
180.10101	0.6
218.11911	0.6
228.10255	2.4
246.11320	3.6
264.12393	2.6
276.18060	0.7
364.19748	1.0
426.46936	0.6
442.18610	5.8
460.19659	12.3
478.20734	22.3
496.21780	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
63.25845	0.4
71.04987	0.6
71.67818	0.4
75.48336	0.3
80.74866	0.4
81.03421	2.6
85.02911	0.6
91.05476	2.0
93.07034	4.4
95.04935	0.7
97.30918	0.4
99.04444	10.5
103.05441	2.9
107.04929	0.7
108.04466	1.9
118.62640	0.4
121.06500	100.0
122.05999	2.5
125.87453	0.5
126.05478	1.6
132.32080	0.5
140.07053	2.0
144.06612	0.9
150.09134	6.5
152.07120	0.8
153.05464	2.9
162.07562	1.6
165.05508	0.6
180.10280	0.6
182.08156	1.7
206.08127	0.6
224.09175	0.9
242.10284	1.9
246.11282	2.8
260.11313	2.2
264.12283	1.7
278.12286	3.3
282.13464	2.5
302.13657	2.7
362.16092	2.1
376.15948	0.6
380.17142	2.4
398.18063	3.7
494.09622	0.4
496.21774	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39854	0.6
53.03949	1.1
53.58138	0.7
54.99313	0.6
55.01873	1.8
55.05498	0.7
57.29734	0.7
67.50494	0.7
68.64097	0.7
69.03432	0.9
70.06587	3.2
78.23761	0.7
81.03426	1.6
81.07056	3.5
84.04506	1.7
84.08105	0.9
85.02912	1.5
91.05471	1.6
93.07034	4.1
97.02889	1.8
99.04459	8.4
100.07599	3.2
103.05485	2.0
107.04935	7.5
108.04522	1.2
109.02895	3.5
109.81731	1.0
120.04449	4.4
121.06504	100.0
122.06004	1.2
123.04430	3.5
125.04745	11.2
125.05998	3.1
126.05519	1.6
127.03938	1.2
128.07124	11.1
134.06059	1.8
136.07545	1.8
137.05988	1.3
138.05487	6.1
140.07054	0.8
142.08643	1.0
146.06049	1.0
147.04411	5.5
148.07535	1.4
150.09149	6.1
152.07112	1.8
153.05461	3.4
165.05453	1.6
166.05049	1.3
178.08604	0.8
180.06506	1.9
182.08153	1.7
183.59973	0.9
188.09464	0.9
190.00305	0.8
191.07071	1.5
192.06561	1.3
194.08099	1.0
198.07616	3.9
224.09111	1.5
226.08655	1.2
242.10199	1.3
245.08092	0.9
260.11319	4.9
278.12408	4.9
279.97604	0.8
282.13306	1.5
302.13773	1.2
359.53055	0.8
398.18134	8.1
432.16245	1.7
449.71939	1.1
460.16031	15.6
478.16837	15.4
496.22131	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84923	0.6
51.04369	0.6
53.03982	0.6
58.39530	0.7
75.08640	0.7
76.44223	0.7
81.03436	1.2
86.53010	0.7
91.05474	1.3
93.07040	3.9
96.02030	0.8
99.04484	5.6
103.05484	3.2
103.63689	0.8
112.62589	0.7
121.06506	100.0
133.74767	0.8
140.07036	0.8
147.04352	1.0
150.09157	4.5
153.05489	0.8
182.08147	1.4
188.07076	1.3
188.75351	0.8
213.07466	0.9
216.29138	0.9
237.45416	0.8
242.10178	1.4
260.11368	1.2
266.54114	0.8
278.12372	3.6
288.83188	0.9
292.66132	0.8
302.13953	0.8
333.37299	0.8
349.74570	0.8
380.17215	1.2
398.17917	5.3
403.79474	0.8
478.20895	1.5
496.21771	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.6
55.44170	0.5
59.34774	0.5
61.06243	0.5
70.06597	0.7
71.05008	0.8
71.91706	0.5
81.03412	0.8
91.05492	1.3
93.07037	5.7
95.04956	0.8
99.04446	5.3
101.46428	0.5
103.05469	1.2
108.04477	0.7
121.06505	100.0
123.04433	0.6
125.04778	0.9
140.07108	0.6
150.09151	6.2
152.07051	0.8
153.05502	2.6
178.08646	0.5
182.08159	1.1
195.06601	0.7
224.09221	0.9
242.10234	1.2
260.11316	3.5
278.12234	3.9
302.13962	0.8
362.15811	0.7
376.15906	0.6
380.17105	1.2
398.18176	6.5
409.88821	0.5
478.16678	1.1
496.21805	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84923	0.6
51.04369	0.6
53.03982	0.6
58.39530	0.7
75.08640	0.7
76.44223	0.7
81.03436	1.2
86.53010	0.7
91.05474	1.3
93.07040	3.9
96.02030	0.8
99.04484	5.6
103.05484	3.2
103.63689	0.8
112.62589	0.7
121.06506	100.0
133.74767	0.8
140.07036	0.8
147.04352	1.0
150.09157	4.5
153.05489	0.8
182.08147	1.4
188.07076	1.3
188.75351	0.8
213.07466	0.9
216.29138	0.9
237.45416	0.8
242.10178	1.4
260.11368	1.2
266.54114	0.8
278.12372	3.6
288.83188	0.9
292.66132	0.8
302.13953	0.8
333.37299	0.8
349.74570	0.8
380.17215	1.2
398.17917	5.3
403.79474	0.8
478.20895	1.5
496.21771	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2329
Annotation	cytochalasin e
Peak:m/z	Relative Intensity
59.79174	1.0
61.01411	1.1
62.16916	1.0
64.48975	1.0
73.45350	1.0
99.56248	1.1
118.06502	2.0
119.04913	1.1
132.04425	1.5
136.05238	1.7
148.05179	2.9
149.05978	21.4
152.09401	1.2
162.05531	1.8
174.05457	2.0
175.06270	5.4
176.07053	45.9
177.07857	14.2
192.06551	52.9
192.10213	11.8
194.08133	17.3
201.09087	8.1
203.10716	1.5
214.40237	1.7
215.10558	8.8
226.13455	1.2
232.07280	4.4
232.76141	1.2
242.12842	3.9
244.14589	10.0
245.11687	43.8
247.09673	1.8
257.15259	11.2
287.16287	5.2
303.15933	1.3
308.73141	1.4
315.15790	2.8
320.09024	9.7
321.09952	1.7
322.10730	2.8
334.10635	4.6
336.12366	4.7
338.13675	1.6
352.15347	1.3
435.09210	1.3
470.85233	1.5
496.16861	5.2
496.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2689
Annotation	Cytochalasin Z5
Peak:m/z	Relative Intensity
56.04168	2.7
67.05529	3.6
69.07049	4.5
79.05487	14.4
81.07048	6.2
89.37575	2.9
91.05480	81.0
93.07049	11.6
94.06580	6.0
95.08598	11.5
105.07051	16.2
107.08604	24.7
109.02919	5.7
115.05428	4.0
117.07027	7.5
119.08589	13.3
120.08089	52.6
121.10153	4.8
123.08045	3.5
129.07018	5.3
131.08560	20.1
133.10130	14.3
139.74678	3.0
141.06995	4.2
143.08554	14.3
145.10054	7.8
146.06015	4.7
147.08038	3.6
147.11679	4.1
149.09656	22.6
155.07053	4.3
157.10121	19.2
172.07635	13.7
173.13339	3.7
174.09175	4.2
175.11215	4.0
186.09190	5.7
186.12766	43.7
197.13240	4.0
199.14804	5.1
200.10730	5.4
203.10724	3.3
209.13301	3.4
210.09068	3.0
212.10718	5.1
226.12294	6.7
238.12317	4.9
240.13847	5.8
258.14838	19.5
258.30206	3.2
264.13892	17.4
278.15286	4.4
280.17230	5.6
296.16504	3.7
396.23282	5.0
406.23798	3.0
414.24292	7.2
424.22498	5.1
432.25259	24.7
442.23792	35.7
450.26361	24.5
460.24814	40.4
478.25879	41.3
496.26956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2695
Annotation	Cytochalasin Z5
Peak:m/z	Relative Intensity
50.69204	2.6
61.95166	3.9
64.83426	3.1
67.05506	8.7
69.07089	4.5
79.05497	15.8
81.07050	8.9
83.08562	3.8
90.00323	4.4
91.05489	100.0
93.07043	19.2
94.17827	4.1
95.08615	20.0
99.04449	8.2
105.07038	16.4
107.08583	35.5
109.02904	4.8
109.06480	6.0
116.35117	3.4
117.07004	5.6
119.08589	21.1
120.08095	52.9
121.06529	4.0
121.10141	6.8
128.04451	3.9
128.16956	3.5
131.08563	28.0
133.10138	9.1
135.08072	3.9
141.05948	3.7
141.07053	5.1
143.08502	7.3
143.99008	3.5
145.06442	4.8
145.10129	18.3
147.08040	5.2
147.11682	8.7
149.06001	5.5
149.09628	20.2
157.10123	18.4
159.11615	5.2
171.11656	5.0
172.07541	7.5
172.11191	4.9
174.09145	5.6
186.12784	52.0
188.10623	4.6
189.69716	3.7
199.14879	6.3
201.11253	4.0
212.10704	6.1
213.16263	3.9
240.13969	6.5
252.13925	6.0
253.15317	3.9
254.15404	6.2
258.15070	8.4
264.13828	19.3
268.16907	5.6
296.16351	5.2
336.12213	8.7
349.94064	4.6
414.24081	7.9
424.22522	9.0
432.25159	38.4
442.23889	32.0
450.26309	18.9
460.24728	26.1
478.25665	64.0
496.26932	71.5
496.33389	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
57.07083	1.8
57.55074	0.9
61.02924	1.8
63.19373	0.7
63.20340	0.7
63.20667	0.7
67.05503	1.5
69.03432	4.5
69.07085	1.4
73.02919	1.1
79.05510	6.9
81.03439	1.7
81.07068	100.0
85.02908	41.5
91.03925	1.6
93.22166	0.8
95.08615	17.5
97.02893	9.7
103.41678	0.9
109.02876	3.4
119.28345	0.9
127.03920	10.8
137.13263	24.0
145.04971	14.6
163.05972	9.0
180.11208	1.0
184.07385	1.1
192.68088	0.9
232.73372	0.9
258.93018	0.9
307.08453	1.1
307.94144	1.2
325.11121	9.2
334.10733	1.8
334.16644	1.0
352.08121	1.4
360.08572	1.6
386.10352	1.8
478.18872	1.3
480.12643	1.8
496.15979	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
57.07074	1.5
60.08166	10.1
62.84747	0.5
69.07078	1.0
71.07381	1.2
71.08636	1.4
74.47246	0.6
81.07068	1.4
85.10164	1.5
86.09708	36.0
104.10745	83.2
125.00004	14.1
141.88022	0.6
159.99864	0.8
184.07329	100.0
303.41946	0.8
313.27347	1.3
340.53592	0.7
478.33054	4.3
496.33972	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43819	0.4
55.05512	0.3
55.36255	0.3
57.07066	0.6
60.08168	4.4
66.67110	0.3
71.07375	0.5
72.04494	0.3
76.86598	0.3
85.10140	0.3
86.09705	18.5
95.08585	0.6
97.10022	0.3
101.98685	0.4
104.10751	2.4
109.10139	0.4
109.16541	0.4
124.99999	9.7
171.37155	0.4
173.79062	0.3
184.07330	100.0
198.56093	0.4
313.27505	0.4
319.08362	0.4
334.10809	0.7
478.33084	1.3
496.33826	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78065	0.9
65.29987	1.1
78.97334	1.1
85.10554	1.2
95.94025	1.1
104.10772	4.4
114.83886	1.4
158.66576	1.1
178.00996	1.3
184.07365	5.9
187.94080	1.4
188.53621	1.3
242.26822	1.5
261.78174	1.2
393.29788	2.3
409.29199	54.7
496.36118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00006	0.9
57.07078	1.1
60.08159	1.8
65.57198	0.9
67.76450	0.8
69.07072	1.2
72.08162	2.1
86.09707	4.5
95.08608	1.2
96.84487	0.9
101.32759	1.0
104.10743	11.9
139.26442	1.0
184.07330	17.9
208.74214	1.1
292.09747	1.1
393.29803	6.5
409.29227	42.8
409.34366	1.8
459.53015	1.1
496.23724	2.6
496.36081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20144	1.5
51.47588	1.4
52.00074	1.3
53.73323	1.3
54.47091	1.2
55.05527	1.7
57.03440	2.5
58.06609	25.6
59.07395	2.1
60.08170	6.8
67.05505	3.2
69.07083	2.5
75.04471	1.6
79.05489	6.2
80.72614	1.8
81.07076	3.4
84.89406	1.5
93.07043	8.2
95.08630	3.2
97.63973	1.4
103.20866	1.5
105.07059	1.8
107.08633	5.8
121.10178	1.7
124.59190	1.6
144.10170	11.3
158.03116	1.4
176.78807	1.6
182.00302	1.5
184.07391	2.3
200.69150	1.7
216.15163	1.8
236.12531	3.2
236.14923	100.0
247.13766	1.9
304.80676	1.6
334.10822	6.2
437.20499	1.8
478.35455	11.1
496.25204	2.6
496.36307	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.2
58.06601	10.7
58.96091	0.3
59.07376	3.6
60.08165	5.8
67.05477	2.2
69.07060	0.8
75.04445	2.1
76.25699	0.4
77.96532	0.4
79.05472	0.9
81.07026	1.8
85.02881	1.0
85.81879	0.4
86.06069	4.1
86.09672	0.6
87.04423	2.4
91.05433	0.5
91.25336	0.4
93.07028	3.2
95.08585	0.7
101.79920	0.4
107.08559	1.9
113.05951	0.4
121.10094	0.8
121.28385	0.4
130.26385	0.4
131.07001	2.2
133.10161	0.5
144.10187	8.0
162.11200	4.4
218.13826	0.8
228.97934	0.5
236.14909	100.0
250.13486	0.4
294.78314	0.5
334.10556	0.6
336.12430	0.5
473.19855	0.5
478.35254	6.7
496.36325	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50232	0.4
55.05514	0.4
57.03422	2.0
58.06607	17.4
59.07381	5.2
60.08165	7.6
67.05513	3.5
69.07053	0.7
75.04464	1.7
77.79028	0.4
79.05496	3.7
81.07063	3.7
85.02866	1.7
87.04443	2.2
91.05447	2.1
93.07046	6.8
95.04944	0.6
95.08575	2.5
105.05480	0.4
105.06999	0.6
107.08571	2.3
109.10138	0.8
111.08079	0.5
119.08582	0.7
121.10126	1.0
131.07007	1.5
144.10181	10.5
159.06444	0.5
162.11272	0.6
184.07304	0.9
187.88522	0.5
190.50578	0.4
200.12729	0.5
218.13774	0.6
236.14917	100.0
249.73479	0.4
334.10638	0.6
434.36438	0.7
450.31778	0.4
461.09302	0.5
478.35382	7.5
496.36313	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.3
57.03464	1.9
57.07085	13.4
59.61184	0.8
67.05515	28.0
67.05845	2.0
69.07073	34.1
71.05021	1.7
71.08633	8.5
72.08167	6.7
78.00921	1.1
79.05509	10.5
81.07061	49.7
83.04990	1.5
83.08626	33.0
84.08174	1.2
85.06552	2.0
85.10188	4.9
86.06078	5.7
86.09718	6.0
91.05506	6.6
93.07062	13.2
95.08604	44.7
97.06534	9.7
97.10171	21.1
99.08138	1.4
100.07646	5.3
104.10763	15.5
105.07057	8.1
107.08597	14.4
109.10167	30.8
111.08111	7.6
111.11756	7.0
113.61635	1.2
114.09204	6.2
119.08575	11.6
121.10160	14.2
123.11716	12.0
125.00014	1.9
125.09685	4.8
126.09254	1.7
128.10736	4.5
133.10152	15.1
135.11714	14.5
137.09648	5.4
137.13309	7.3
139.11243	2.0
141.12813	5.0
145.10201	1.7
147.11655	12.3
149.13326	5.6
151.11331	1.8
151.14844	4.2
153.12799	6.5
154.12352	2.0
161.13297	7.6
163.14865	2.8
165.16426	2.6
169.42870	1.2
175.14864	2.0
179.18005	2.0
184.07344	17.2
189.16527	1.3
193.15842	1.4
245.22644	12.7
250.14235	1.2
263.23621	18.1
280.26343	37.3
291.27130	1.5
298.27591	8.0
308.29675	5.1
353.30298	1.2
409.29425	7.3
453.11038	1.4
496.40225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19455	3.2
53.02698	2.7
55.07253	2.8
57.07089	32.0
59.62941	3.2
69.07081	4.3
71.08646	24.3
71.27972	3.5
71.55206	2.6
81.07051	4.5
83.08633	4.3
85.10185	22.5
89.06033	100.0
97.10194	3.9
124.66384	2.9
126.65063	3.2
127.32726	3.4
133.08585	23.8
135.57635	3.2
177.11264	6.7
189.33354	3.2
197.77754	3.4
207.92960	3.4
283.17465	7.9
285.27960	5.7
355.80402	3.8
413.27039	3.5
479.39328	94.9
496.34369	3.5
496.41718	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41248	1.2
55.96742	1.2
63.25653	1.4
66.54070	1.2
68.76064	1.3
69.18356	1.2
69.51541	1.0
73.97091	1.1
161.03113	1.6
172.04494	2.0
173.04007	2.1
185.02983	3.0
193.36388	1.6
215.05173	24.6
217.23729	1.5
227.05121	6.0
239.05107	1.8
245.05135	3.2
317.08334	2.9
337.65366	1.6
402.53580	1.6
404.00995	1.5
497.12701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99570	0.6
65.44220	0.6
129.05157	1.7
143.01933	3.3
146.28004	0.7
147.06232	1.0
149.09207	0.7
155.01924	3.7
161.03021	3.2
167.01997	0.9
171.06233	3.5
172.04489	4.9
173.02872	1.7
173.04126	14.8
183.06200	1.0
185.02959	8.4
187.04604	1.6
191.05196	8.4
197.02875	1.6
198.02562	1.7
203.04117	2.8
215.05138	100.0
216.03670	3.2
227.05243	19.6
239.05164	3.3
242.62634	0.8
245.04887	19.3
251.05136	0.9
263.06348	2.2
269.06451	1.3
275.07260	7.2
317.08286	12.5
335.09366	13.5
364.96326	0.9
377.10641	1.2
407.11948	1.0
413.10611	1.0
432.88785	0.7
434.88712	0.8
464.30020	0.9
497.14581	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44679	0.6
57.67688	0.6
62.69430	0.8
68.58384	0.6
104.97973	0.7
107.18443	0.7
109.92889	0.6
129.05090	1.7
143.01913	5.2
145.03427	0.8
145.04562	0.8
147.06165	1.0
155.01935	3.5
161.02945	3.3
167.01941	3.1
169.03395	0.8
171.06232	1.7
172.04558	7.4
173.02849	1.2
173.04097	16.4
185.02937	9.2
186.06122	0.9
191.05183	8.3
196.04514	0.9
197.02858	1.6
198.02528	4.5
203.04109	1.7
215.05154	100.0
216.03560	4.3
227.01996	0.8
227.05286	19.6
233.06322	1.0
237.94104	0.8
239.05138	10.2
245.05006	20.4
251.05141	1.3
255.01945	0.7
257.06152	1.4
263.06177	4.1
274.07571	0.9
275.07407	7.2
299.07013	1.3
311.04355	0.8
317.08289	13.4
317.11328	0.9
335.09369	13.6
377.10345	6.0
497.14642	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.3
70.06580	0.4
84.08138	0.3
97.02841	0.3
119.53125	0.3
128.36240	0.2
154.04990	0.6
177.05426	0.4
206.15346	0.3
291.24130	0.3
293.09235	2.4
294.09998	2.4
321.08707	6.0
322.09479	100.0
335.23419	0.3
497.15558	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97644	0.7
55.48303	0.8
59.00032	0.8
60.61297	0.7
65.25974	0.8
66.66325	0.8
69.03437	1.1
98.43579	0.8
99.04456	3.7
121.06502	5.0
122.06882	1.5
179.03387	0.9
248.81871	1.0
259.34549	1.0
315.61285	1.2
340.08228	1.1
341.08423	1.2
424.69424	1.1
479.15475	4.1
497.16357	100.0
508.45517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90761	0.6
57.27656	0.7
58.00776	0.6
58.06599	0.7
63.35182	0.8
67.05508	0.9
105.88300	0.8
109.10181	0.8
154.18207	0.7
174.05496	28.8
187.06294	3.9
276.10202	1.6
278.08029	1.4
290.08145	4.7
291.08975	1.3
292.06403	2.4
292.09723	4.9
293.10529	3.5
296.09308	0.9
304.09659	1.1
306.07608	58.5
307.08459	1.5
308.09253	4.8
309.06268	5.9
310.10751	1.8
315.11221	1.0
320.09207	4.7
321.09897	15.5
321.13013	1.0
322.07190	2.9
322.10645	15.9
323.08087	4.1
324.08658	34.5
338.10156	16.2
339.11029	28.4
340.11813	3.4
465.12094	0.9
497.17136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95739	0.7
60.21049	0.8
76.90370	0.8
92.21519	1.8
144.76482	1.0
148.54767	0.8
149.84052	0.8
174.05502	29.2
182.33856	1.1
186.05473	1.3
187.06247	3.9
211.07051	0.9
246.58435	1.0
276.10223	3.8
278.08051	1.6
290.08041	6.2
291.08810	1.7
292.09467	3.7
293.10547	3.5
296.09030	1.5
306.07590	68.7
307.08371	4.1
308.09180	5.1
308.12375	1.4
309.06290	6.5
310.10724	3.8
319.08145	3.8
320.09018	11.0
321.09921	17.2
322.07224	3.1
322.10678	21.1
323.07819	5.5
324.08646	42.6
334.10754	1.7
335.07559	1.1
336.08124	1.7
336.12094	1.4
338.10165	20.5
339.11023	31.8
340.11920	1.5
352.15561	2.1
399.23941	1.4
424.11322	1.3
437.11966	4.4
453.11908	1.4
454.12531	2.0
465.11765	2.2
479.11942	1.9
481.11224	0.9
497.17358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98062	0.9
53.03949	5.7
53.10873	1.0
56.93762	1.0
58.21515	1.2
62.52029	0.9
68.23321	1.2
69.03448	2.4
81.00648	1.1
81.03431	11.5
83.07613	1.0
85.02908	11.5
97.02878	6.8
99.04459	100.0
109.02887	2.2
117.05506	5.6
119.76561	1.2
127.03957	2.5
153.05444	1.5
173.13390	1.7
189.09137	3.0
201.09184	1.4
219.10175	6.3
243.08691	1.8
249.11325	1.5
253.19418	1.9
261.07370	1.4
271.20587	2.7
317.21219	1.5
334.10764	1.7
335.10995	2.2
345.13120	1.6
376.57867	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85268	0.7
56.59044	0.6
69.54939	0.8
79.59402	0.8
81.07040	0.9
83.13947	0.9
99.04466	1.0
214.27094	0.9
239.88834	0.9
497.28693	100.0
497.35574	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04689	1.1
53.03945	2.3
55.01876	2.6
55.05524	13.0
57.03442	24.7
61.02638	2.1
61.02931	46.2
65.03935	1.2
66.10745	1.1
67.05508	66.4
69.03093	2.0
69.03429	26.5
69.07075	15.6
69.64737	1.1
71.01358	2.1
71.04987	3.0
73.02919	27.8
75.04450	1.3
79.05495	32.0
81.03429	17.6
81.07059	68.7
83.04977	5.2
83.08619	9.4
85.02905	44.4
85.06559	1.9
87.04482	2.5
91.03942	26.9
91.05476	22.3
93.06583	1.2
93.07041	53.2
95.04965	6.9
95.08607	60.2
97.02893	36.4
97.06523	6.7
97.10175	2.8
99.04465	8.3
101.02364	11.1
103.03948	2.9
105.07036	20.4
107.05009	1.4
107.08593	31.5
109.02193	1.2
109.02874	10.3
109.06520	5.6
109.10149	27.2
111.04408	1.6
111.08089	2.1
115.03912	2.4
117.06995	11.8
119.08579	18.5
121.06518	1.4
121.10140	26.5
123.08097	2.3
123.11723	7.8
125.09687	1.2
127.03916	15.3
129.05487	2.9
129.06956	1.8
131.08549	15.6
133.06560	1.8
133.10126	16.5
135.08060	1.7
135.11714	14.5
137.09622	2.5
137.13248	2.5
143.08624	1.7
145.04976	2.5
145.10135	14.3
147.08044	1.7
147.11674	12.9
149.13277	7.4
155.08600	1.2
157.10092	2.4
157.20952	1.3
159.07935	1.3
159.11765	10.1
161.09514	1.4
161.13266	8.5
163.14792	5.1
169.10136	2.1
171.11627	1.5
173.09647	1.6
173.13298	8.9
183.11800	1.4
184.13326	2.3
185.13258	1.7
187.14902	4.3
212.79277	1.6
243.21059	2.3
259.20596	1.4
261.22049	10.2
279.23254	1.7
291.22852	1.3
296.26208	1.9
301.21692	1.6
315.23071	1.8
317.24713	1.3
335.25842	44.9
351.22827	1.4
363.25067	1.5
369.24319	4.7
387.25589	2.2
405.26581	2.5
419.27927	1.6
443.27890	8.0
461.28833	6.2
479.30212	13.0
497.31073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20839	4.2
55.05514	21.0
57.03432	24.8
57.07094	5.6
60.39837	4.3
61.02926	48.2
61.75186	4.6
67.05506	63.9
69.03425	25.4
69.07072	17.2
73.02904	27.3
79.05492	31.6
81.03419	16.5
81.07059	64.0
83.04967	4.3
83.08638	7.4
85.02895	52.2
91.03944	31.9
91.05480	7.8
93.07049	48.1
95.05014	5.0
95.08581	50.0
97.02904	41.8
98.15500	4.3
98.94844	4.3
99.04442	8.7
101.02372	6.6
105.07039	17.7
107.08588	31.2
109.02888	5.8
109.10156	25.9
117.06944	5.8
119.08576	21.5
121.10138	31.4
127.03957	7.5
131.08575	9.0
133.10152	8.3
135.11652	20.5
145.10147	7.5
147.11769	6.8
149.13232	7.6
159.11673	5.8
161.13237	6.0
204.20166	5.2
208.48067	6.1
261.22061	11.0
296.25784	5.9
335.25769	59.8
338.55930	5.2
347.86270	5.3
497.30954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3108
Annotation	Lesterone
Peak:m/z	Relative Intensity
53.03980	4.5
55.05516	12.1
57.03437	22.9
61.02931	40.7
61.03177	3.9
67.05509	64.4
69.03432	12.7
69.07058	12.4
73.02914	22.6
77.72103	4.7
79.05498	32.0
80.27304	4.9
81.03410	10.7
81.07071	83.3
82.91837	5.2
83.04961	5.4
83.08624	7.7
85.02910	38.7
91.03944	23.2
91.05481	10.2
92.21439	8.2
93.07056	57.6
95.04990	5.0
95.08595	58.6
97.02903	32.8
105.07021	24.8
107.08610	37.2
109.02896	7.4
109.10163	34.3
111.04473	5.4
117.07022	6.4
119.08576	33.6
121.10146	19.3
123.91639	5.8
127.03929	7.2
131.08563	9.0
133.10097	9.6
135.11707	22.2
159.11710	6.5
161.13222	6.0
173.13260	8.4
226.11359	6.0
231.69791	6.2
261.22250	11.0
296.26147	6.2
335.25809	35.2
348.49734	6.5
356.75415	5.6
461.28329	8.1
479.29395	6.9
497.31131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.7
55.88734	5.3
57.03440	13.6
58.34527	4.5
61.02937	25.4
63.53461	5.4
67.05517	31.9
69.03433	22.8
69.07061	12.8
79.05488	29.0
79.73827	5.7
81.03418	8.0
81.07077	52.4
82.00809	5.1
83.08640	6.8
85.02917	27.3
91.03970	9.4
91.05477	9.7
93.07040	35.4
95.08613	49.0
97.02880	23.5
105.07041	13.6
107.08611	11.9
109.10163	27.0
117.07012	11.0
118.88044	6.1
119.08563	21.9
120.37553	6.0
121.10155	23.9
131.08546	10.8
133.10181	11.8
135.11639	10.0
145.10138	7.7
147.11642	10.4
159.11743	7.2
161.13336	9.6
165.09209	7.0
166.89354	5.7
188.86249	5.8
235.02066	6.3
335.25668	10.7
351.85709	7.0
365.08850	20.6
443.27908	11.6
479.29816	12.8
497.30936	100.0
515.50970	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Palythoalone B
Peak:m/z	Relative Intensity
53.03954	2.5
55.01875	2.9
55.05516	5.4
57.03431	13.7
57.07078	4.1
61.02927	24.2
67.05510	26.6
69.03419	11.2
69.07069	10.5
69.26827	1.9
71.01328	2.2
71.04962	2.4
71.08601	2.3
73.01689	1.9
73.02905	10.6
79.05501	26.9
81.03419	14.6
81.07061	44.6
83.04983	3.0
83.08617	5.4
85.02914	19.5
91.03949	9.9
91.05480	15.9
93.07047	29.1
95.04971	5.3
95.08611	28.1
97.02884	17.2
97.06472	2.7
97.10194	3.5
105.07029	17.5
107.08601	22.5
107.09225	2.7
109.10153	13.1
117.07029	9.7
119.08605	20.3
121.06481	4.7
121.10132	15.3
123.11713	2.6
127.03893	3.9
129.05453	3.0
129.06973	4.0
131.08571	14.2
133.10107	14.0
135.11685	8.5
137.09598	2.5
137.13251	2.5
143.08516	4.6
145.06505	3.4
145.10109	13.9
147.08090	4.7
147.11670	9.9
149.09676	3.4
157.10150	3.3
159.07936	2.5
159.11679	13.6
161.13266	13.3
169.10117	3.2
171.11685	3.7
173.13249	3.5
175.14819	5.3
185.13156	3.7
187.11285	2.4
187.14896	3.1
201.12601	2.5
213.12808	3.4
243.21092	3.2
261.22061	10.2
273.22061	4.2
317.24673	2.7
320.09265	11.5
327.23193	4.7
335.25778	9.1
336.12051	2.9
339.06772	2.3
369.24164	4.3
371.85733	2.3
377.26785	2.9
387.25452	4.2
419.27863	8.3
443.28024	23.2
461.28931	17.5
465.17432	3.3
479.29767	17.0
497.31165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3108
Annotation	Palythoalone B
Peak:m/z	Relative Intensity
50.70427	1.9
54.83518	2.0
55.01884	3.5
55.05515	5.6
57.03432	12.1
57.07068	3.4
58.20925	2.1
61.02928	17.8
66.56552	1.9
67.05511	31.5
68.44418	1.9
69.03428	14.1
69.07057	14.1
71.01336	2.3
71.04977	2.1
73.02910	16.0
79.05500	19.7
81.03405	9.9
81.07056	33.4
83.08608	9.3
85.02901	17.4
91.03940	11.8
91.05465	17.7
92.14891	2.6
92.21022	4.5
93.07026	31.6
95.04956	9.4
95.08591	28.6
97.02881	15.8
97.06525	3.5
99.04410	3.4
103.03960	2.5
105.07043	25.3
107.04962	3.2
107.08578	24.0
109.10152	19.9
117.07004	12.4
119.08596	20.3
121.10137	17.0
123.11659	2.9
129.06953	5.2
130.07019	2.2
131.08557	15.7
133.06442	3.6
133.10098	16.8
135.11688	12.4
141.07060	2.9
143.08572	17.6
145.10123	16.0
147.08031	4.6
147.11679	9.4
149.13225	4.8
155.08574	2.9
157.10175	4.4
159.07997	2.6
159.11679	11.1
161.09598	3.5
161.13261	5.2
163.11098	2.5
163.14865	2.6
169.10045	3.5
170.68489	2.5
171.07962	4.0
171.11703	4.4
173.13263	4.9
185.13251	10.5
187.14842	3.6
197.13268	4.4
199.14713	3.1
203.14400	2.6
259.20474	3.3
261.22162	4.2
273.22006	3.0
303.23294	2.7
307.28995	3.1
312.27304	2.8
320.09201	9.3
335.25632	5.6
336.12122	4.0
369.24020	4.6
369.54349	2.7
377.26938	3.4
387.25366	8.5
405.26215	2.8
443.27933	20.0
461.28833	14.5
479.30029	18.1
497.30869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10855	7.2
60.98846	7.2
61.02932	9.7
67.05502	34.6
69.03438	14.1
69.07053	11.1
69.87146	7.4
72.71924	8.7
73.02911	13.5
79.05468	11.3
81.07055	57.9
85.02901	15.5
85.06512	8.9
85.51113	9.7
91.05495	12.7
93.07030	37.4
95.04947	10.2
95.08607	52.3
104.47727	8.1
105.06998	16.3
107.08604	36.7
109.10130	11.8
119.08570	9.7
121.10161	16.4
123.08089	9.8
131.08539	12.5
136.96347	9.0
145.10156	18.7
147.11664	12.9
184.89932	9.1
247.55984	9.6
309.21887	11.5
323.11557	12.8
324.11963	9.5
335.25714	10.0
405.26370	14.4
461.28998	11.0
497.17899	61.9
497.30881	100.0
497.67563	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57718	2.3
51.69935	2.2
53.03957	5.6
54.32654	2.6
55.05521	11.9
57.03440	3.1
57.07066	10.7
57.55651	2.9
63.34361	2.5
64.49448	2.6
64.78842	2.8
67.05512	26.2
68.93109	2.7
69.03420	17.3
69.07074	21.1
71.05000	3.6
71.08602	3.2
73.02925	12.4
79.05495	11.4
81.03417	36.8
81.07056	30.6
83.08612	17.4
85.02908	18.5
85.10169	3.5
91.05481	10.4
93.07032	17.0
95.04958	6.6
95.08594	35.8
97.02901	5.1
97.10168	4.2
99.04463	100.0
105.07041	11.6
107.08575	15.4
109.06583	4.4
109.10152	17.7
119.08559	13.7
121.06509	3.8
121.10114	16.1
123.04391	4.1
123.11710	6.2
126.88029	3.0
127.03878	6.4
129.10631	2.7
131.08588	5.0
133.10132	5.6
135.11682	12.9
137.13232	3.5
141.05455	5.4
143.08542	3.2
146.52333	2.8
147.11760	4.6
149.13269	3.1
154.00427	3.0
161.13289	3.3
179.83221	3.0
237.21996	3.2
243.08673	7.2
277.21689	4.2
295.22653	3.8
317.24539	3.8
321.24121	6.6
345.24136	31.5
363.25366	43.1
381.26306	18.9
443.27740	14.6
461.28897	23.5
479.29926	23.5
488.95078	3.5
497.36487	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95598	4.1
53.81689	4.1
55.05521	12.1
57.03438	9.3
57.07095	5.0
59.10656	4.5
61.02924	26.2
63.16226	4.9
67.05514	51.4
69.03443	6.5
69.07069	25.9
69.14092	5.4
71.36082	5.3
73.02920	10.4
79.05499	28.4
81.03420	9.0
81.07056	72.3
83.08590	7.7
85.02905	28.0
86.04200	5.9
91.03935	10.4
91.05467	11.5
91.60402	5.5
93.07035	49.9
95.04966	9.1
95.08603	49.1
97.02877	8.5
105.07050	31.8
107.08580	44.3
109.10149	27.9
111.08109	8.7
117.07019	25.3
119.08593	43.8
119.59008	5.6
121.10115	33.1
125.09521	6.0
126.34783	6.6
129.06976	6.5
131.08586	29.5
133.10107	22.8
135.11693	11.5
139.87827	7.0
143.08577	10.1
145.10107	22.7
147.11667	12.4
149.13234	9.3
155.08476	6.8
157.10130	11.1
158.24080	5.8
159.08197	6.1
159.11682	33.8
161.13249	12.4
163.11163	7.8
169.10123	6.5
171.11653	20.7
181.10182	6.9
183.11809	9.0
185.09734	6.3
185.13271	10.5
187.11017	6.6
187.14804	11.1
223.16719	5.7
240.04726	6.1
261.22195	7.6
335.25946	9.0
359.26459	5.7
389.62115	6.2
443.27771	11.9
461.28854	14.1
479.30020	27.1
497.29941	100.0
497.36356	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.0
67.05503	13.9
69.03431	1.7
69.07076	12.2
79.05499	9.2
81.07067	25.4
83.08628	7.5
91.05479	9.4
93.07052	14.5
94.45090	1.5
95.04929	1.4
95.08601	23.9
97.06519	2.7
97.31861	1.5
99.08122	1.5
105.07045	10.4
107.08596	14.7
109.06525	2.0
109.10172	5.8
117.07066	7.0
119.08591	19.1
121.10146	8.7
128.25900	1.4
129.07010	5.8
131.08546	12.8
133.10109	12.7
135.11719	6.2
137.13390	1.9
143.08562	10.1
145.10129	18.6
147.11690	7.2
149.13278	2.9
155.08536	2.7
157.10117	17.0
159.11736	15.7
159.73100	1.5
161.13242	3.8
167.98447	1.4
169.10161	8.3
170.11868	1.8
171.11676	12.5
173.13274	8.3
175.14934	2.0
181.10179	2.5
183.11726	7.6
185.13239	12.0
187.14833	6.2
195.11797	2.0
197.13229	2.5
199.14830	8.0
209.13354	2.4
211.14827	3.4
213.16446	2.5
225.16238	2.3
227.18011	2.6
237.16458	1.8
245.15405	1.8
270.32397	1.5
273.18478	1.8
313.21591	2.2
316.22586	1.6
327.23303	2.7
341.24878	2.5
436.11490	1.8
461.33990	3.7
479.35117	10.2
497.29590	4.1
497.36356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.362
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
55.05515	5.7
57.03453	3.3
60.39348	2.2
61.02937	3.8
63.89746	2.2
64.23981	2.1
67.05511	24.4
69.03411	2.9
69.07067	14.6
71.04982	2.3
74.75175	2.2
78.14925	2.3
79.05479	9.6
81.03423	2.9
81.07059	27.6
83.08617	3.5
85.02914	9.1
91.05469	9.8
92.20835	2.8
93.07024	21.2
93.22495	2.3
94.63569	2.1
95.04948	2.7
95.08577	23.5
97.02898	3.9
97.06491	2.6
97.10175	2.8
105.07022	10.4
107.08575	15.8
109.10133	13.7
111.08072	2.7
117.07000	9.8
117.37684	2.1
119.08583	13.8
121.10137	11.2
129.06960	10.3
130.65590	2.6
131.08578	11.7
133.10110	16.9
135.11662	10.1
143.08549	4.6
145.10107	14.3
147.11696	12.7
155.08559	4.9
157.10114	12.5
159.11705	12.1
169.10115	9.1
171.11656	12.0
173.13219	9.2
179.08629	2.6
183.11690	9.2
185.13245	11.4
195.11685	2.7
197.13268	4.2
209.13350	3.5
211.15016	2.8
213.16292	2.9
220.18393	2.3
223.14775	3.7
227.17952	3.1
229.23233	2.2
275.19989	2.6
327.23166	3.8
386.91516	2.7
497.36505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11189	1.6
55.05518	4.5
57.03428	3.0
61.02926	2.9
65.44817	1.7
67.05521	20.2
69.03426	2.9
69.07063	12.6
71.05024	2.6
73.02890	2.6
79.05495	12.9
81.03428	6.9
81.07054	21.1
83.04964	2.0
83.08627	3.8
85.02912	3.7
91.05474	10.4
92.20940	3.7
93.07032	15.9
95.08624	24.4
96.91709	1.7
97.02876	2.3
105.07021	14.6
107.08627	15.0
109.06526	2.5
109.10155	8.3
117.07030	7.9
119.08573	18.6
121.10136	10.9
122.21120	1.9
129.07028	8.8
131.08531	14.1
133.10106	15.5
135.11658	3.6
137.13269	2.2
143.08551	11.2
145.10120	10.7
147.11690	8.6
155.08528	2.5
157.10147	11.7
159.11705	8.7
161.13242	2.9
169.10141	7.4
171.11688	7.3
173.13248	7.2
175.14850	3.8
181.10092	2.4
183.11673	9.8
185.13261	7.5
187.14790	4.4
195.11580	3.2
197.13200	3.1
199.14894	4.1
209.13358	3.2
211.14870	3.5
213.16397	3.1
227.17833	2.3
285.18430	3.0
289.18756	2.0
311.20239	2.3
327.23309	3.1
346.29169	1.7
443.27850	3.0
461.33984	9.4
465.26318	2.4
479.35306	7.0
496.69800	2.3
497.30698	17.2
497.36670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20240	0.8
60.10295	0.8
61.77697	1.0
62.28887	0.8
63.21194	1.1
121.99863	1.0
165.05411	1.6
167.79886	1.0
172.03932	1.9
190.04997	28.9
194.61456	1.6
218.04451	4.6
235.06192	1.6
263.05768	4.7
264.06607	1.5
276.06558	1.4
277.07233	1.4
290.08167	9.9
291.92789	1.0
292.05978	8.4
293.06854	3.9
303.05255	7.0
304.05991	2.5
305.06793	1.6
307.08716	0.9
308.05679	2.0
308.09088	10.1
318.07593	15.1
319.08340	11.6
320.05487	16.1
320.09140	12.7
321.06091	2.4
331.04599	5.2
334.10730	20.8
336.08527	1.6
336.12228	1.4
346.07144	5.5
348.04910	5.0
349.05737	15.2
364.08127	100.0
456.24130	1.2
466.12805	1.2
498.10110	43.6
498.15921	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20240	0.8
60.10295	0.8
61.77697	1.0
62.28887	0.8
63.21194	1.1
121.99863	1.0
165.05411	1.6
167.79886	1.0
172.03932	1.9
190.04997	28.9
194.61456	1.6
218.04451	4.6
235.06192	1.6
263.05768	4.7
264.06607	1.5
276.06558	1.4
277.07233	1.4
290.08167	9.9
291.92789	1.0
292.05978	8.4
293.06854	3.9
303.05255	7.0
304.05991	2.5
305.06793	1.6
307.08716	0.9
308.05679	2.0
308.09088	10.1
318.07593	15.1
319.08340	11.6
320.05487	16.1
320.09140	12.7
321.06091	2.4
331.04599	5.2
334.10730	20.8
336.08527	1.6
336.12228	1.4
346.07144	5.5
348.04910	5.0
349.05737	15.2
364.08127	100.0
456.24130	1.2
466.12805	1.2
498.10110	43.6
498.15921	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81105	1.2
75.05177	1.1
83.07421	1.2
89.95605	1.0
92.20860	1.3
114.15314	1.1
137.69836	1.2
151.37257	1.1
172.03978	4.1
190.04979	24.6
191.38640	1.1
192.10216	6.9
196.28493	1.2
218.04526	1.9
289.07306	2.1
290.08087	9.6
291.08813	2.3
304.06070	1.8
318.07654	8.2
319.08380	21.3
320.09094	16.1
334.10718	16.1
335.07727	5.6
335.11185	9.8
351.07208	1.8
364.09555	2.4
368.09161	7.1
380.09030	1.9
382.10608	6.3
383.11411	2.0
393.09680	2.1
394.10535	2.2
396.08649	11.2
408.08453	5.1
409.09351	5.8
410.10205	37.7
411.10986	2.6
422.10291	7.4
424.08029	16.3
426.13318	2.5
436.07843	1.9
437.08844	2.5
438.09647	33.4
439.10248	7.9
452.11307	9.4
453.12079	2.4
454.08264	5.5
454.12894	10.9
466.13397	11.9
468.07138	14.4
470.15820	1.7
482.08475	26.9
483.09540	2.0
498.11600	100.0
498.15442	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54269	0.4
63.33054	0.5
86.21490	0.5
90.56214	0.5
92.20829	0.5
95.84691	0.5
125.88712	0.5
143.67879	0.5
165.05443	0.8
172.03938	0.5
190.04988	10.5
235.06328	0.9
263.05676	1.7
264.06552	0.9
275.05951	0.6
276.06604	0.8
277.07306	0.8
290.08075	2.8
290.11038	0.6
291.05347	0.6
292.05984	5.3
293.06726	2.0
303.05292	4.6
304.06055	0.7
305.06860	1.1
306.07724	0.7
308.05530	0.8
318.07590	8.7
319.04984	0.5
319.08392	3.1
320.05502	9.6
320.09195	2.5
321.06299	2.6
331.04791	2.5
332.05276	0.6
334.10739	3.5
336.08563	0.6
336.12094	1.6
340.82703	0.6
346.07019	4.5
348.04993	2.0
349.05820	9.3
351.42551	0.5
364.08115	100.0
382.09286	0.8
392.14154	0.6
498.13724	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11675	1.7
57.63450	1.4
61.37466	1.8
63.70617	1.7
66.61452	1.7
69.81974	1.7
91.05483	11.5
108.07735	1.9
113.31396	1.8
119.04961	13.1
137.05997	1.9
149.05981	100.0
174.05544	7.8
188.07063	2.3
189.07857	3.5
190.04945	2.0
190.08542	15.5
195.11629	1.7
209.04443	59.3
209.06291	2.8
216.06650	12.7
238.57924	2.0
244.09758	3.4
265.68613	1.6
272.09149	2.8
283.20377	3.6
288.08612	25.6
290.10257	9.9
291.09061	2.0
294.07678	2.6
301.21655	11.8
309.09772	3.6
319.08353	3.8
320.09219	20.8
322.06708	5.7
323.07791	3.6
332.07977	3.0
334.10672	2.8
336.08734	3.8
336.12546	2.8
338.10083	14.4
351.07498	7.9
364.07980	6.0
366.09717	96.4
366.14246	3.7
380.11163	15.8
382.08954	7.0
384.10776	8.3
400.10168	2.2
480.12851	26.0
498.13748	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11351	0.4
55.16988	0.4
56.21288	0.5
57.27100	0.4
58.54680	0.4
64.47705	0.5
84.29050	0.5
116.47372	0.4
120.15283	0.5
150.84062	0.5
294.07635	1.0
308.09146	6.8
321.06470	0.6
322.07074	8.4
323.07855	31.1
334.07016	0.5
336.08640	100.0
346.10544	0.7
376.11783	2.6
382.09195	1.0
414.20279	0.6
462.06186	0.5
463.81754	0.6
498.13937	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31472	0.4
72.74893	0.4
114.09126	0.9
137.05946	0.7
177.05505	0.6
189.48480	0.5
202.88850	0.5
220.66832	0.5
225.71181	0.4
270.90298	0.5
282.89890	0.4
293.06927	0.6
307.08423	0.6
308.09283	7.0
310.10803	0.6
318.07602	3.0
321.06122	0.8
322.07037	7.4
323.07883	31.6
334.06833	0.6
336.08649	100.0
376.11694	3.4
382.09235	0.9
498.13910	78.1
498.36218	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54269	0.4
63.33054	0.5
86.21490	0.5
90.56214	0.5
92.20829	0.5
95.84691	0.5
125.88712	0.5
143.67879	0.5
165.05443	0.8
172.03938	0.5
190.04988	10.5
235.06328	0.9
263.05676	1.7
264.06552	0.9
275.05951	0.6
276.06604	0.8
277.07306	0.8
290.08075	2.8
290.11038	0.6
291.05347	0.6
292.05984	5.3
293.06726	2.0
303.05292	4.6
304.06055	0.7
305.06860	1.1
306.07724	0.7
308.05530	0.8
318.07590	8.7
319.04984	0.5
319.08392	3.1
320.05502	9.6
320.09195	2.5
321.06299	2.6
331.04791	2.5
332.05276	0.6
334.10739	3.5
336.08563	0.6
336.12094	1.6
340.82703	0.6
346.07019	4.5
348.04993	2.0
349.05820	9.3
351.42551	0.5
364.08115	100.0
382.09286	0.8
392.14154	0.6
498.13724	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11351	0.4
55.16988	0.4
56.21288	0.5
57.27100	0.4
58.54680	0.4
64.47705	0.5
84.29050	0.5
116.47372	0.4
120.15283	0.5
150.84062	0.5
294.07635	1.0
308.09146	6.8
321.06470	0.6
322.07074	8.4
323.07855	31.1
334.07016	0.5
336.08640	100.0
346.10544	0.7
376.11783	2.6
382.09195	1.0
414.20279	0.6
462.06186	0.5
463.81754	0.6
498.13937	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26535	0.6
66.64844	0.7
97.40328	0.7
100.35337	0.9
101.14536	0.9
104.47793	0.9
111.24870	0.8
121.14801	0.8
129.60614	0.8
183.02722	0.8
190.05043	1.1
277.78333	1.0
295.66626	0.9
307.08170	1.0
318.07449	1.3
319.08438	3.9
320.09195	7.7
322.06985	1.4
322.10721	1.5
330.06674	0.8
334.10684	10.1
336.05032	22.8
336.08890	1.8
350.06818	0.9
351.07370	100.0
364.70676	0.9
366.09729	77.5
452.11310	5.1
466.13229	1.4
498.15527	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06586	0.5
71.91570	0.5
84.67529	0.6
91.22519	0.5
93.26170	0.5
265.07431	0.8
277.07446	1.0
281.37143	0.6
289.07388	4.4
290.08133	3.8
291.08994	1.0
291.68002	0.6
302.08054	0.7
304.06100	1.0
318.07678	4.8
319.08350	16.5
320.09171	3.5
334.10745	16.4
335.07742	7.1
335.28394	0.6
351.07205	0.8
426.13455	1.1
436.11163	0.6
438.13577	2.4
453.11929	2.6
454.12961	7.2
466.12766	13.6
470.15805	2.1
482.12387	4.3
483.13193	3.4
498.15427	100.0
517.57861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47185	0.2
71.66128	0.2
73.70815	0.2
76.11221	0.2
90.24871	0.2
93.85737	0.2
94.06732	0.2
99.36418	0.2
192.17999	0.2
276.06427	0.3
290.08102	11.8
290.11334	0.4
302.08109	3.9
304.06021	10.9
304.09534	0.4
306.07849	0.2
318.03809	0.4
318.07590	15.5
319.08380	58.2
334.10718	100.0
420.43555	0.3
498.15433	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06752	0.3
56.95950	0.4
62.76515	0.4
63.21518	0.4
70.21156	0.4
78.35101	0.4
80.40987	0.4
96.36523	0.5
98.35656	0.5
116.43103	0.5
176.07062	45.5
190.04927	0.6
249.07979	0.7
277.07416	0.8
289.07285	6.2
290.08072	1.0
291.08902	1.8
307.08502	1.6
318.07553	2.3
319.08316	11.9
320.09158	3.0
334.10608	1.6
335.07782	6.7
335.11081	0.6
351.07489	1.8
407.98099	0.6
426.13260	0.9
435.11041	0.6
438.13330	2.3
439.65527	0.5
453.12122	2.2
454.12720	6.9
455.14148	0.5
466.12787	14.5
470.15939	2.6
482.12369	4.3
483.13107	4.5
498.15506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00661	0.6
55.21275	0.5
57.42682	0.5
69.67188	0.6
92.21531	1.2
105.55888	0.7
190.84515	0.6
192.10257	2.7
192.14371	0.7
211.61288	0.6
212.55771	0.8
242.10493	0.7
290.08136	11.5
302.08237	3.1
304.06088	9.5
304.09351	1.2
318.07629	15.4
319.08371	56.4
320.09241	3.2
332.09128	1.5
334.10730	100.0
336.12555	1.3
462.30768	0.7
482.12762	0.9
483.13089	0.9
498.15564	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18865	0.5
96.26556	0.5
101.48439	0.5
137.05971	0.8
176.07065	4.9
181.96187	0.5
249.07774	0.6
277.07358	0.8
283.97308	0.5
289.07364	5.9
290.08173	0.6
291.08838	2.0
306.07510	0.7
307.08359	0.8
318.07571	3.4
319.08408	13.2
320.09125	2.8
322.10211	0.7
334.10849	4.1
335.07672	6.1
335.11151	2.0
336.12347	2.2
351.07404	0.7
365.51883	0.5
374.69022	0.5
406.10010	0.6
426.13092	0.9
436.12012	0.6
438.13184	2.0
438.45764	0.6
453.12183	1.2
454.12866	5.9
466.12820	16.2
468.14786	0.8
470.15933	3.4
482.12448	4.0
483.13202	4.8
498.15472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21286	0.6
58.41385	0.6
60.54011	0.5
79.49462	0.6
84.82812	0.7
127.65675	0.7
133.66908	0.7
154.12282	1.4
171.14958	0.9
192.04068	0.7
234.24367	0.7
238.11137	0.7
290.08145	10.7
300.76913	0.8
302.08203	1.5
304.06119	10.0
304.09338	1.2
318.07669	18.2
319.08383	57.3
320.09256	1.4
332.09262	4.0
334.10727	100.0
455.13541	0.9
498.15488	51.7
510.33115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21286	0.6
58.41385	0.6
60.54011	0.5
79.49462	0.6
84.82812	0.7
127.65675	0.7
133.66908	0.7
154.12282	1.4
171.14958	0.9
192.04068	0.7
234.24367	0.7
238.11137	0.7
290.08145	10.7
300.76913	0.8
302.08203	1.5
304.06119	10.0
304.09338	1.2
318.07669	18.2
319.08383	57.3
320.09256	1.4
332.09262	4.0
334.10727	100.0
455.13541	0.9
498.15488	51.7
510.33115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21286	0.6
58.41385	0.6
60.54011	0.5
79.49462	0.6
84.82812	0.7
127.65675	0.7
133.66908	0.7
154.12282	1.4
171.14958	0.9
192.04068	0.7
234.24367	0.7
238.11137	0.7
290.08145	10.7
300.76913	0.8
302.08203	1.5
304.06119	10.0
304.09338	1.2
318.07669	18.2
319.08383	57.3
320.09256	1.4
332.09262	4.0
334.10727	100.0
455.13541	0.9
498.15488	51.7
510.33115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32770	0.5
57.62379	0.6
58.67599	0.6
61.00093	0.6
84.58875	0.6
137.21104	0.6
151.73087	0.7
163.62213	0.7
169.39120	0.6
169.79036	0.8
169.80580	0.6
191.80804	0.7
220.12909	0.7
222.28670	0.8
245.54617	0.7
307.08029	0.7
320.09018	1.1
321.09879	3.2
439.10504	2.6
440.11267	5.8
452.11108	1.2
454.12817	19.9
466.13065	9.7
467.09558	1.2
468.10776	32.0
482.12357	52.7
483.13177	15.5
498.15457	100.0
507.40231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16325	0.4
52.78691	0.5
53.55273	0.5
55.93621	0.5
59.18413	0.6
74.31139	0.5
80.31631	0.6
91.24589	0.6
114.43510	0.7
121.99502	0.6
153.48862	0.6
154.85786	0.5
174.05467	3.1
176.07066	41.1
182.12015	0.6
243.21057	0.6
277.07358	1.1
289.07251	3.5
290.08096	4.3
291.08868	0.8
293.06952	0.9
318.07571	3.9
319.08380	11.0
320.09088	2.6
334.10519	1.1
335.07867	6.6
336.12228	0.9
338.13962	0.6
438.13007	1.4
453.12152	2.1
454.12860	6.3
466.12897	10.8
470.16025	1.2
482.12228	3.3
483.12903	3.3
498.15488	100.0
498.39203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32770	0.5
57.62379	0.6
58.67599	0.6
61.00093	0.6
84.58875	0.6
137.21104	0.6
151.73087	0.7
163.62213	0.7
169.39120	0.6
169.79036	0.8
169.80580	0.6
191.80804	0.7
220.12909	0.7
222.28670	0.8
245.54617	0.7
307.08029	0.7
320.09018	1.1
321.09879	3.2
439.10504	2.6
440.11267	5.8
452.11108	1.2
454.12817	19.9
466.13065	9.7
467.09558	1.2
468.10776	32.0
482.12357	52.7
483.13177	15.5
498.15457	100.0
507.40231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00960	0.3
82.00078	0.3
103.76705	0.2
125.77709	0.3
185.31047	0.3
190.04999	3.6
232.06798	0.3
249.07898	0.6
261.07919	0.6
265.07501	0.4
277.07303	0.7
289.07321	5.8
290.08093	12.2
291.08939	1.8
293.06799	0.4
304.06262	0.3
307.08456	0.5
308.09103	0.4
316.09760	0.5
318.07596	7.9
318.11163	0.5
319.08374	11.8
320.05429	0.6
320.08911	3.5
334.10846	1.5
335.07922	7.3
335.11227	1.2
336.12402	0.4
351.07358	1.6
364.08151	1.6
420.12521	0.3
425.12747	0.3
426.13556	1.0
438.13574	2.5
453.12201	2.6
454.12845	7.5
455.14322	0.5
466.12875	14.8
470.16235	2.7
482.12390	3.8
483.13132	4.2
498.15536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01088	0.4
59.07581	0.4
62.95824	0.6
63.57711	0.4
64.99913	0.5
71.95847	0.5
79.85335	0.5
80.44260	0.5
88.52500	0.5
104.04712	0.5
127.86873	0.5
141.98181	0.5
208.13556	0.5
260.72470	0.6
290.08096	11.7
302.08203	3.1
304.05978	10.5
306.62332	0.5
318.07556	16.5
319.08362	59.8
332.09119	0.7
334.10712	100.0
369.34790	0.6
454.13385	0.7
498.15454	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00064	0.4
50.50031	0.5
59.77266	0.6
70.06547	0.6
70.80101	0.6
92.26272	0.6
96.98143	0.6
114.76035	0.7
146.52191	0.6
154.54361	0.6
186.65508	0.6
278.12012	4.1
304.09708	1.2
306.08432	2.0
306.11673	6.7
319.08984	1.1
320.09125	29.1
321.09961	100.0
334.10883	2.9
336.12277	35.0
344.78802	0.7
454.12659	1.3
466.13199	1.0
468.11093	3.7
482.12289	4.7
483.13388	2.7
490.26898	0.8
498.17505	62.8
511.00067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49843	0.4
65.39455	0.4
67.43619	0.5
67.63990	0.5
104.74516	0.6
139.52641	0.5
174.05502	1.9
176.07060	100.0
190.04932	0.7
229.18990	0.5
243.71863	0.5
289.07242	0.6
290.08118	3.3
318.07562	2.8
319.08414	8.4
320.09052	1.2
334.10770	8.4
335.07831	0.9
336.12210	2.1
337.12735	0.5
356.11288	0.8
466.12738	3.5
482.11844	0.7
498.16119	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71876	0.9
58.06599	5.3
70.06589	11.2
74.50968	0.8
76.10710	1.0
86.09716	2.1
91.05486	5.5
94.96822	0.9
105.87777	1.1
119.04943	25.4
121.06483	4.5
131.04919	5.1
133.02797	7.6
135.08014	1.4
137.05977	100.0
147.04425	4.9
147.76398	1.0
149.05984	11.4
149.57251	0.9
151.07538	47.4
159.60091	0.9
161.05983	4.3
163.07509	2.2
165.05418	4.1
175.07518	6.4
175.11859	2.4
181.08595	49.6
183.14944	4.4
197.76079	1.1
205.45076	1.1
267.09979	1.5
279.10278	1.3
281.11862	1.2
297.11121	1.5
299.12686	4.2
300.08966	1.2
305.98044	1.1
329.13782	25.5
341.13797	1.2
359.14911	14.6
377.15921	4.7
429.76990	1.1
450.15762	1.4
498.20938	6.2
498.33792	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10305	0.2
80.59679	0.3
87.86917	0.2
90.28330	0.3
91.05485	1.5
93.07025	2.3
95.04971	0.5
103.05478	0.6
110.07169	0.5
121.06505	100.0
127.91613	0.3
137.05948	0.5
138.09143	27.4
153.38118	0.3
156.07658	0.5
210.84363	0.2
320.55209	0.3
360.31161	0.3
450.25281	0.4
498.09323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37693	0.6
69.03418	0.9
71.55161	0.6
72.49910	0.7
85.02903	5.0
86.47144	0.6
91.75033	0.7
95.33536	0.6
99.04448	3.2
102.81066	0.9
103.05488	2.8
117.10736	0.8
120.08102	100.0
121.06505	6.5
127.03975	1.4
129.02107	0.7
131.04912	2.9
137.05881	1.1
138.09163	0.8
139.03915	1.3
146.05998	1.0
149.05963	3.3
166.08626	48.9
171.06506	1.4
236.14948	0.9
238.15494	1.2
272.04779	0.9
342.11353	0.8
348.91968	0.8
357.10413	0.7
467.67645	1.0
469.74945	0.8
498.22766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10305	0.2
80.59679	0.3
87.86917	0.2
90.28330	0.3
91.05485	1.5
93.07025	2.3
95.04971	0.5
103.05478	0.6
110.07169	0.5
121.06505	100.0
127.91613	0.3
137.05948	0.5
138.09143	27.4
153.38118	0.3
156.07658	0.5
210.84363	0.2
320.55209	0.3
360.31161	0.3
450.25281	0.4
498.09323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2183
Annotation	Validamycin D
Peak:m/z	Relative Intensity
50.28921	1.6
58.23710	1.7
69.03426	11.2
79.41119	1.9
81.03418	12.6
83.04938	3.2
84.04513	19.6
85.02922	19.0
90.05563	10.1
97.02895	12.5
99.04467	4.7
102.05547	13.6
108.04468	26.9
109.02895	9.8
110.06066	3.9
112.03960	3.6
120.08117	4.0
126.05531	21.6
127.03944	22.6
128.41193	2.4
138.05533	23.6
145.04933	3.4
150.05521	28.1
156.06540	18.3
162.05406	3.3
168.06578	28.4
174.07625	25.0
180.06541	10.5
193.23485	2.3
198.07608	13.4
215.25745	2.3
216.08659	25.8
228.08688	3.2
234.09636	17.5
236.09122	18.6
247.78139	2.4
252.12361	4.9
276.90390	2.2
294.09714	4.4
312.10696	17.7
318.15482	4.9
348.16730	2.7
360.13043	3.7
378.13882	13.2
414.17224	9.7
444.18713	3.5
462.19482	9.1
480.20816	63.4
498.14743	3.6
498.21841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.03442	3.5
57.07079	36.2
60.04526	14.0
67.05502	7.3
69.07076	3.7
71.08624	26.0
81.07065	13.8
83.08620	12.4
85.10183	15.1
86.42418	1.4
88.03445	2.8
88.03992	84.3
88.10938	1.6
95.08601	28.4
97.10174	6.2
98.98474	30.1
106.05026	30.1
107.70945	1.6
109.10152	8.7
114.75926	1.9
121.10114	1.8
121.90034	1.6
123.11663	2.2
128.25735	1.8
155.01030	30.9
165.12637	2.2
173.02058	8.7
213.00117	2.3
239.40685	1.6
242.04158	1.7
242.72977	1.7
280.26309	2.8
294.24207	2.5
295.24570	7.6
313.27383	100.0
326.26907	11.6
335.06693	1.8
353.30194	1.8
360.19720	1.8
393.23917	37.0
457.21976	1.8
472.20193	1.6
480.27002	11.1
498.28561	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96903	1.2
53.75767	1.4
53.94778	1.1
55.05511	3.5
56.75558	1.3
57.03437	6.5
57.07082	31.1
59.12766	1.1
60.04523	14.3
65.24207	1.5
67.05503	9.1
69.07063	7.3
71.08635	36.4
81.07055	17.4
83.08624	10.7
85.10185	22.9
86.10571	1.5
88.03990	69.0
92.20953	2.4
95.08604	20.6
97.10149	7.3
98.98466	29.3
102.66788	1.4
104.31953	1.4
106.05032	30.3
109.10161	13.1
121.10084	1.8
123.11723	6.1
137.13210	1.5
155.01047	31.4
166.82558	1.6
173.02116	10.4
194.98949	1.7
213.00117	2.9
239.23633	2.7
257.24860	1.9
280.26355	2.3
295.24527	2.6
313.27338	100.0
321.22870	1.9
326.26917	12.0
344.28979	1.5
393.23965	34.7
457.21884	6.5
480.27100	10.0
498.15543	1.8
498.22375	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05515	8.4
67.05505	13.3
68.12025	1.1
69.07069	4.8
71.04996	1.5
79.05498	8.3
81.03410	3.0
81.07070	18.8
83.08617	3.1
88.33996	1.3
91.05476	5.8
91.59473	1.2
93.07045	13.4
95.04993	1.5
95.08607	17.3
97.10161	1.4
97.58466	1.5
99.04454	100.0
105.07040	3.0
107.08568	9.6
109.10155	7.8
117.05490	93.2
119.08551	6.8
121.10168	10.3
123.11736	2.7
131.08574	2.4
133.10118	2.9
135.11723	10.6
137.05937	2.5
145.10123	3.1
147.11646	2.4
149.13240	5.3
159.11774	2.2
161.13284	2.1
163.14804	1.7
173.13338	3.2
183.87877	1.3
185.04427	17.8
187.14595	1.7
192.45024	1.5
200.12825	2.1
203.05460	25.8
243.21104	9.6
250.61801	1.6
261.22137	26.9
279.23199	9.7
287.84274	1.4
351.99850	1.5
382.64072	1.3
481.28003	6.1
498.37143	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39775	0.9
58.06608	9.3
60.05658	4.3
60.60120	0.9
63.95104	0.9
69.07034	1.2
70.06595	79.0
81.39636	0.8
83.04976	1.2
84.08132	2.1
84.85552	0.9
86.09707	38.4
95.52565	0.9
112.06800	0.8
112.08741	4.4
115.08722	2.2
116.07092	6.6
122.68716	1.1
129.10236	5.5
130.09740	2.0
156.11342	11.5
158.09251	7.7
175.11891	24.6
183.14931	53.8
183.16592	2.0
199.18028	8.0
211.14409	16.8
227.17589	1.8
256.20688	1.1
265.08328	1.0
271.17618	7.1
288.20300	2.0
297.11154	1.6
442.63864	1.1
498.21384	9.2
498.33975	100.0
498.80786	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40601	0.7
50.72266	0.6
50.99298	0.7
52.55769	0.8
55.87852	0.8
57.03446	1.4
58.06611	8.3
59.07384	1.8
60.08162	4.4
67.05518	3.7
75.04485	0.8
81.07098	1.4
85.02930	1.1
87.04476	1.2
95.08624	0.9
104.10728	1.0
109.83358	0.7
111.76481	0.8
121.10186	0.9
131.07036	1.2
144.10205	7.6
160.24966	1.0
162.11279	1.8
236.14919	100.0
289.39026	0.9
308.78143	0.9
420.99286	0.8
480.36710	5.5
498.37970	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66134	0.5
55.05513	0.7
57.03440	1.4
57.78498	0.7
58.06608	15.6
59.07386	5.4
60.08176	7.4
63.72573	0.7
67.05489	5.6
69.07079	1.7
69.93065	0.7
70.14460	0.7
75.04483	1.5
75.24464	0.7
79.08794	0.7
81.07072	5.2
85.02913	1.4
87.04486	4.0
91.05452	1.0
94.19769	0.8
95.08601	3.6
109.10172	1.3
131.07051	1.1
140.33383	0.8
144.10190	10.3
149.00154	0.7
154.67943	0.9
162.11253	1.4
236.14919	100.0
252.95732	0.8
480.36786	8.2
498.37912	76.2
503.15076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31982	1.1
90.75755	1.3
107.91082	1.2
137.23042	1.5
165.63654	1.4
173.02936	2.0
174.02588	1.5
185.03029	2.4
187.06177	1.6
190.37775	1.6
211.04491	1.4
217.01984	2.9
217.05678	2.0
219.07338	1.4
245.05049	3.0
268.98221	100.0
302.81738	1.6
359.45779	1.4
439.12888	5.8
493.93442	1.7
499.13913	3.1
505.71570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26495	1.3
55.54593	1.5
55.63808	1.7
55.80784	1.6
58.24878	1.6
64.77407	1.3
70.23646	1.5
75.59576	1.7
79.10136	1.4
95.61665	1.6
109.02914	1.9
119.01926	3.0
127.02415	3.6
131.01910	2.5
139.75635	1.6
143.01874	19.0
145.03484	18.4
155.01901	25.7
157.03445	13.4
161.02890	13.3
167.01819	8.8
169.03392	2.6
171.01335	8.6
173.02939	35.1
175.04190	2.1
181.03342	3.0
185.02933	41.8
187.04483	6.5
189.02383	10.2
191.01764	2.4
197.02939	12.2
198.98579	2.6
199.00851	8.0
199.04544	34.4
201.02393	1.9
203.04001	14.7
209.02713	2.3
211.04501	17.5
215.03923	10.4
216.05244	2.2
217.01932	62.5
217.05162	17.2
221.04947	6.8
223.04422	2.4
227.03902	16.8
229.01842	8.4
229.05327	7.0
235.02812	18.2
239.03789	2.6
241.05350	10.7
245.05040	100.0
247.04826	2.8
253.05556	3.6
257.05048	13.4
263.06094	18.8
275.05917	4.2
277.04114	3.0
283.06418	3.1
301.04358	3.6
301.07611	24.3
305.07080	2.4
319.04880	10.5
319.08524	23.7
337.06018	16.7
365.09198	11.9
392.16418	1.9
401.09409	2.1
490.26639	2.0
499.11151	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81617	1.2
72.68729	1.3
72.75655	1.4
89.81540	1.5
101.85002	1.4
116.48724	1.4
116.55267	1.5
119.01917	2.6
123.11031	1.4
127.02374	2.8
129.98314	1.3
143.01907	18.0
145.03447	16.5
155.01889	21.8
157.03488	6.1
161.02962	17.0
163.04491	1.7
167.01863	9.0
169.04449	1.7
171.01370	10.6
171.97954	1.4
173.02931	27.8
175.04639	1.5
179.01906	2.2
185.02936	38.9
187.04491	9.7
189.02402	6.5
197.02905	12.4
199.00888	6.8
199.04477	8.6
203.03975	13.4
205.05519	1.8
211.00653	1.4
215.03998	12.8
216.51610	1.5
217.01933	61.6
217.05418	6.9
221.05028	3.7
227.03917	12.0
229.01921	12.4
235.02924	14.5
245.05032	86.2
247.02887	2.8
247.06757	2.2
257.05106	15.2
263.06122	15.1
275.05991	7.5
277.04022	6.8
301.03928	2.5
305.07138	3.4
307.09857	1.9
319.04926	12.8
337.06143	18.7
365.09079	8.2
453.76477	1.6
499.11337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
82.99856	1.6
110.07020	1.7
119.01881	4.1
127.02412	8.0
139.41673	2.0
143.01891	28.8
145.03450	21.4
147.01439	2.6
155.01865	24.9
157.03438	11.7
161.02956	19.7
167.01880	9.6
169.03506	2.7
171.01361	19.4
171.02681	1.9
173.02946	32.9
175.04555	3.1
183.01399	3.4
185.02948	37.7
187.04495	9.7
189.02448	17.9
197.03015	14.3
199.00890	7.5
199.04547	9.9
201.02579	5.4
203.04036	15.1
209.02971	2.9
211.01001	2.0
215.04025	15.7
217.01930	65.7
217.05351	2.9
221.05017	3.8
227.04015	16.2
229.01907	8.2
229.05544	4.1
231.03493	33.8
235.02831	13.2
243.03474	8.3
245.05051	97.5
247.02864	2.1
249.04390	2.5
257.05066	11.2
261.04575	3.4
261.85400	1.8
263.06046	12.8
275.06094	10.4
277.03992	8.9
301.04190	6.3
305.07144	3.2
307.08655	1.9
314.32495	2.3
319.05139	10.4
337.06149	19.9
351.07507	11.6
356.30557	1.9
365.08746	10.6
499.11343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00261	0.2
79.05951	0.2
80.45900	0.2
101.01339	0.3
137.05994	0.3
149.05896	0.3
182.24852	0.3
290.08188	0.4
292.09552	3.3
303.08481	0.3
305.06277	0.3
318.07474	0.5
319.08093	1.3
320.09140	100.0
334.10635	2.0
335.11041	2.9
337.23685	0.3
437.12222	0.3
453.15161	0.3
499.15305	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00261	0.2
79.05951	0.2
80.45900	0.2
101.01339	0.3
137.05994	0.3
149.05896	0.3
182.24852	0.3
290.08188	0.4
292.09552	3.3
303.08481	0.3
305.06277	0.3
318.07474	0.5
319.08093	1.3
320.09140	100.0
334.10635	2.0
335.11041	2.9
337.23685	0.3
437.12222	0.3
453.15161	0.3
499.15305	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50937	0.9
63.43439	0.9
63.79730	0.9
65.15787	0.9
79.09344	1.0
79.17748	1.1
97.34442	1.1
100.22172	1.1
123.60046	0.9
127.15327	0.9
142.43484	1.1
161.99979	1.1
208.83997	1.0
216.80673	1.1
230.73428	1.1
291.08917	12.6
306.07678	6.8
318.07568	1.8
320.09183	6.5
336.12381	2.3
348.08655	20.9
366.11249	6.3
374.50101	1.2
379.11041	1.1
381.12271	1.9
382.13263	7.7
397.11813	5.9
407.09982	1.6
410.12799	1.7
420.11176	3.9
421.11609	1.4
423.09970	7.4
426.49414	1.2
435.09860	2.1
437.11292	6.6
438.12363	1.5
451.09216	17.3
465.10419	1.3
466.11536	4.2
469.10089	5.1
481.13940	24.4
499.14957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84539	0.3
56.83222	0.3
64.12161	0.4
78.46725	0.4
102.62267	0.3
111.77083	0.4
119.24191	0.5
126.36176	0.4
145.10184	0.4
292.09662	11.0
304.09659	1.6
306.07611	3.6
319.08456	0.5
320.09152	13.1
321.09940	29.0
326.10272	1.8
334.10651	2.8
335.11148	0.6
336.12277	100.0
403.58542	0.4
486.23685	0.4
499.17743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84539	0.3
56.83222	0.3
64.12161	0.4
78.46725	0.4
102.62267	0.3
111.77083	0.4
119.24191	0.5
126.36176	0.4
145.10184	0.4
292.09662	11.0
304.09659	1.6
306.07611	3.6
319.08456	0.5
320.09152	13.1
321.09940	29.0
326.10272	1.8
334.10651	2.8
335.11148	0.6
336.12277	100.0
403.58542	0.4
486.23685	0.4
499.17743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01867	1.8
61.48428	0.4
63.36611	0.3
67.07163	0.3
69.03410	0.5
77.44783	0.4
81.03407	0.5
85.02899	2.0
90.24551	0.4
91.04944	0.4
91.05445	2.9
93.07042	5.7
95.04949	0.9
97.56474	0.4
98.06073	0.9
99.04449	8.9
103.05461	2.4
107.04941	1.6
108.04470	2.3
121.06498	100.0
122.06003	0.9
126.05514	10.7
127.80046	0.4
128.03479	0.5
132.25386	0.4
136.07582	0.5
144.06567	0.6
148.07550	2.4
150.09119	2.3
228.10149	0.5
246.11284	2.9
343.11307	0.5
363.00101	0.5
463.17184	2.6
481.18146	34.1
499.19235	27.2
499.27185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95697	0.4
57.07108	0.4
70.06594	0.9
79.05485	0.6
80.88341	0.4
81.03437	0.6
81.07072	2.4
85.02907	0.6
91.05471	1.8
93.07047	4.4
95.04983	1.5
97.02895	3.3
98.06043	0.8
99.04432	0.9
101.21140	0.5
103.05445	3.2
107.04952	1.5
108.04481	9.4
109.02864	1.9
110.06076	0.8
114.52433	0.4
121.06506	100.0
122.06036	2.3
125.04723	0.7
125.05997	2.0
126.05522	13.8
127.03931	0.7
137.05898	0.6
147.04416	0.7
148.07603	0.8
150.09181	3.4
153.05457	3.1
163.03908	2.8
169.72034	0.5
175.03931	0.9
182.04480	5.1
192.10249	0.6
207.06599	1.0
246.11217	3.3
247.91422	0.4
264.12198	0.9
282.13330	0.8
297.09885	0.5
332.15021	1.8
343.11365	2.8
344.09686	1.0
350.16074	7.1
410.94504	0.5
416.16861	0.8
434.18060	2.6
463.17303	2.2
481.18234	36.2
499.19199	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36120	1.8
67.67712	1.8
71.94775	2.4
79.74235	1.8
83.59040	2.1
103.34492	2.5
104.48325	2.2
107.50933	2.2
107.59284	2.1
113.85321	2.0
129.36734	2.7
168.07825	2.9
208.41985	2.3
217.05043	3.1
220.48239	2.4
247.07503	8.5
249.09047	4.6
261.08963	5.0
262.09857	4.4
263.06970	3.1
263.10574	3.6
277.08563	10.6
278.09399	8.7
279.10120	14.5
280.07272	3.2
289.08633	3.1
290.09259	4.2
291.06631	2.6
291.10141	3.3
293.08130	11.9
293.11688	9.7
295.09778	7.2
295.33041	2.6
296.10544	3.0
297.11401	2.5
305.08011	11.2
306.08752	4.7
307.09637	34.7
308.10278	18.3
309.11240	5.4
311.12656	2.5
320.09641	4.2
321.07541	8.9
321.11127	19.9
322.08408	4.1
322.12177	12.1
323.09128	12.9
333.07538	3.7
334.10797	2.9
335.09161	9.9
336.09665	5.2
337.10739	11.3
338.11481	3.5
339.08572	2.7
339.12338	4.9
349.07080	2.8
350.07794	3.4
351.08551	14.0
351.12323	8.4
353.13815	8.6
365.10049	11.8
366.11227	3.2
367.08026	4.7
369.13196	4.2
375.13086	2.4
379.11844	5.0
385.12805	11.5
397.12772	100.0
415.13950	13.3
459.36682	2.6
481.18811	16.3
499.19705	22.9
503.21283	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36120	1.8
67.67712	1.8
71.94775	2.4
79.74235	1.8
83.59040	2.1
103.34492	2.5
104.48325	2.2
107.50933	2.2
107.59284	2.1
113.85321	2.0
129.36734	2.7
168.07825	2.9
208.41985	2.3
217.05043	3.1
220.48239	2.4
247.07503	8.5
249.09047	4.6
261.08963	5.0
262.09857	4.4
263.06970	3.1
263.10574	3.6
277.08563	10.6
278.09399	8.7
279.10120	14.5
280.07272	3.2
289.08633	3.1
290.09259	4.2
291.06631	2.6
291.10141	3.3
293.08130	11.9
293.11688	9.7
295.09778	7.2
295.33041	2.6
296.10544	3.0
297.11401	2.5
305.08011	11.2
306.08752	4.7
307.09637	34.7
308.10278	18.3
309.11240	5.4
311.12656	2.5
320.09641	4.2
321.07541	8.9
321.11127	19.9
322.08408	4.1
322.12177	12.1
323.09128	12.9
333.07538	3.7
334.10797	2.9
335.09161	9.9
336.09665	5.2
337.10739	11.3
338.11481	3.5
339.08572	2.7
339.12338	4.9
349.07080	2.8
350.07794	3.4
351.08551	14.0
351.12323	8.4
353.13815	8.6
365.10049	11.8
366.11227	3.2
367.08026	4.7
369.13196	4.2
375.13086	2.4
379.11844	5.0
385.12805	11.5
397.12772	100.0
415.13950	13.3
459.36682	2.6
481.18811	16.3
499.19705	22.9
503.21283	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32640	2.1
67.05487	3.2
93.07039	2.3
107.08564	2.2
125.77785	2.1
127.15495	1.9
145.06502	2.9
176.08316	3.4
191.07022	2.1
203.70485	2.0
206.09383	1.9
231.10149	3.6
248.08325	2.3
249.09128	3.1
261.09180	3.5
263.06946	4.2
264.07788	8.2
275.06976	2.4
276.07840	2.7
277.08640	12.1
278.09341	8.7
279.10202	12.5
289.08484	2.8
290.09109	3.1
291.06796	2.6
291.10077	7.6
293.08090	14.9
293.11682	7.7
295.09427	3.0
302.09866	2.5
305.08054	12.3
306.08841	11.3
307.06372	3.6
307.09564	27.0
308.10349	17.5
309.07654	2.4
309.11066	3.5
311.12906	3.1
318.08823	3.5
319.09314	2.4
320.10248	9.0
321.07541	13.8
321.11099	24.0
322.08533	4.0
322.12000	17.4
323.09106	11.6
333.07660	5.1
334.10864	4.4
335.05545	3.6
335.09174	10.4
336.09662	4.8
337.10745	13.1
339.12201	16.0
348.09534	2.4
350.07776	4.6
351.08743	5.7
351.12302	13.8
353.13925	4.2
365.10150	10.7
366.10931	4.3
367.07901	3.2
369.13348	3.0
379.11612	15.2
397.12799	100.0
415.13766	3.3
469.07208	2.6
469.18521	13.3
481.18646	48.0
499.19864	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.9
55.01858	2.7
55.05522	20.8
57.03448	21.2
57.07086	2.4
57.34562	1.9
61.02932	52.5
67.05512	65.0
69.03429	22.5
69.07069	31.1
70.58588	2.1
71.08652	2.7
73.02917	22.5
77.10487	2.2
79.05499	18.9
81.03413	15.2
81.07059	76.1
83.04991	4.2
83.08641	17.1
85.02910	54.3
85.10233	2.4
91.03955	30.9
91.05469	11.7
93.07034	24.5
95.08608	61.6
97.02897	43.3
97.06534	2.9
97.10197	8.5
98.97723	2.2
99.04459	5.5
101.02379	14.6
103.03951	5.3
105.07026	14.7
107.08622	18.2
109.02878	11.4
109.10154	26.8
111.04469	2.8
115.03997	2.3
119.08572	10.8
121.10123	20.3
123.11704	11.6
127.03925	14.7
131.08594	3.9
133.10130	11.8
135.11722	5.7
137.13235	2.9
140.46266	2.3
145.04994	3.2
147.11729	10.2
149.13223	3.1
245.22807	3.4
263.23676	14.7
337.27344	50.0
371.25830	3.0
397.61414	2.8
463.30719	8.9
481.31558	13.4
499.32645	100.0
523.54034	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.9
57.03433	9.8
57.07080	15.5
60.57181	5.4
61.02926	23.6
63.04314	5.8
63.81380	5.3
67.05514	64.5
69.03437	13.9
69.07077	56.2
71.08627	8.1
73.02912	25.6
79.05493	11.3
81.03408	6.4
81.07066	100.0
83.05000	7.2
83.08629	30.7
85.02917	47.7
86.69370	5.7
91.03947	30.1
91.05496	11.3
93.07043	35.1
95.08604	84.8
97.02882	33.1
97.06554	8.0
97.10166	25.5
99.08102	5.9
101.02417	7.7
107.08586	27.0
109.10178	42.1
119.08581	32.1
121.10164	37.6
123.11705	27.9
127.03941	15.7
131.08557	9.1
132.38533	6.4
133.10162	30.5
135.11644	6.8
138.12816	7.6
139.11168	13.3
155.08487	6.8
156.05196	6.7
161.13266	10.2
184.13350	55.5
190.75812	6.7
202.14410	13.8
256.26419	43.9
263.23746	8.0
298.27463	10.8
309.87766	7.2
320.08832	7.9
337.27319	33.7
402.38300	6.5
481.32706	6.0
481.40213	79.0
499.32693	74.2
499.41177	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37353	1.9
51.56893	2.0
54.59921	2.2
55.01866	2.3
55.05515	6.1
57.03427	5.5
57.07057	2.5
58.06596	11.5
59.05479	2.0
59.07398	2.3
60.08165	4.1
60.44637	2.3
60.68544	2.0
61.02921	15.8
67.05501	19.9
69.03416	4.7
69.07053	13.0
73.02924	4.9
75.57689	2.0
79.05480	5.6
81.07050	27.9
83.08604	4.8
85.02926	19.0
86.51399	2.2
87.04487	3.0
90.61333	2.8
91.03942	5.0
93.07054	8.9
95.08595	16.6
97.02896	13.7
97.10157	3.8
99.04433	4.9
101.02395	2.7
109.10170	5.2
119.08540	3.8
121.10125	3.4
127.03896	3.7
144.10194	5.1
147.11653	4.3
185.69090	2.6
198.49542	2.6
236.14912	100.0
237.15225	50.8
327.46136	2.7
337.27481	16.8
481.37289	4.5
499.31522	25.6
499.38632	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.9
55.05516	0.9
56.19289	0.7
57.03441	1.4
57.07086	18.3
57.44295	0.6
63.83702	0.5
65.61459	0.6
67.05505	3.8
69.03439	9.2
69.07062	3.0
71.04977	2.5
71.08634	11.2
73.02927	12.5
75.87812	0.6
81.03424	24.3
81.07059	7.5
82.45029	0.7
83.08620	3.3
85.02913	15.9
85.10194	6.6
86.54862	0.7
87.04480	1.5
95.08607	12.9
97.02879	4.3
97.10151	1.6
99.04458	100.0
101.02370	1.1
104.39212	0.6
109.02895	8.8
109.06514	0.6
109.10168	3.7
112.77477	0.6
123.11711	3.0
127.03923	13.0
135.24117	0.8
141.05498	1.6
145.04970	4.6
225.07573	0.8
239.23669	11.7
243.08607	11.0
278.60709	0.8
306.92239	0.7
355.44739	0.6
383.27695	2.9
408.76367	0.9
442.70502	0.7
481.31461	6.0
499.32858	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.1
55.05517	3.1
57.03426	2.9
57.07084	16.4
67.05508	5.6
69.03440	8.2
69.07067	3.9
70.43576	0.7
71.05001	1.8
71.08630	16.6
73.02914	9.2
79.57731	0.7
81.03426	22.7
81.07060	9.4
83.08617	6.6
85.02907	16.3
85.06559	0.8
85.10192	8.9
87.04480	1.2
89.29395	0.8
95.08598	11.0
95.74287	0.7
97.02888	4.4
97.10151	3.2
99.04457	100.0
104.97105	0.7
108.81264	0.6
109.02887	7.6
109.10168	5.3
111.69211	0.7
121.10132	0.8
123.11751	1.4
127.03920	13.5
141.05461	4.1
145.04959	3.7
153.34164	0.8
159.35063	0.7
219.99161	0.8
239.23688	12.2
243.08563	9.5
335.29138	0.8
381.74203	0.9
383.27875	4.0
479.67468	0.8
481.31540	4.2
491.50555	0.8
499.31418	5.5
499.38333	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02748	1.8
53.03957	4.9
57.07076	14.3
59.20120	2.1
63.17611	1.6
63.50773	2.0
67.05512	3.2
67.77559	1.9
69.03439	8.5
69.07053	2.4
71.08622	11.7
73.02912	9.7
81.03429	23.2
81.07064	4.5
83.08640	8.2
85.02914	16.6
85.10171	3.7
93.21461	2.0
95.08611	14.0
95.84849	2.0
97.02902	4.2
99.04462	100.0
103.43484	2.4
109.02893	9.3
109.10133	3.2
117.29075	2.4
127.03902	8.5
131.51711	2.1
141.05487	2.3
145.04971	3.4
223.59453	2.1
235.22549	2.2
239.23744	11.5
243.08652	15.1
451.80957	2.2
499.32513	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.0
57.03438	27.2
57.07066	8.9
61.02928	42.8
67.05498	53.2
69.03418	33.8
69.07063	26.1
71.01354	6.3
73.02903	31.4
79.05488	24.1
81.03413	11.4
81.07053	75.9
83.04983	4.9
83.08630	18.0
85.02916	46.8
91.03954	27.9
91.05470	30.4
93.07033	34.2
95.04954	6.5
95.08602	61.9
97.02878	39.5
97.06523	5.1
99.04438	10.0
101.02366	4.6
105.07027	19.5
107.08578	21.1
108.44901	4.7
109.02905	6.1
109.10165	28.4
117.07006	7.8
119.08563	20.0
121.06547	7.3
121.10162	21.9
123.11658	9.0
127.03915	8.4
129.05478	5.2
131.08585	7.6
133.10181	25.6
135.11687	17.0
137.09532	5.6
145.10123	7.3
147.11618	8.0
149.13269	7.8
162.86455	4.9
205.84154	4.9
245.22577	7.3
256.26199	7.0
263.23706	10.7
320.21463	4.5
324.20450	5.1
337.27399	18.2
347.26071	5.5
353.24603	5.9
371.25681	7.3
407.27548	6.0
463.30252	10.3
477.97171	5.3
481.31537	19.5
499.32590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3769
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
50.94970	0.9
52.76722	1.1
55.05522	2.6
57.73296	1.3
60.50438	1.2
63.10553	1.0
66.34521	1.2
67.05518	8.9
69.07057	5.5
70.15884	1.4
78.51793	1.2
79.05515	3.0
81.07081	9.0
83.08621	2.1
91.05478	2.4
93.07047	7.1
95.08592	9.5
98.06094	1.3
105.07055	7.6
107.08633	7.4
109.10202	6.1
109.93582	1.3
119.08626	5.7
121.10144	5.1
123.11691	1.6
131.08630	3.0
133.10156	6.3
134.95946	1.3
135.11705	1.4
139.07880	1.1
143.08533	1.6
145.10170	6.7
147.11745	1.7
149.09485	1.6
149.13287	1.6
149.66646	1.2
159.11740	6.2
161.13255	1.7
171.11722	2.2
173.13315	2.8
185.13278	1.8
187.14882	2.2
200.12904	3.1
201.13235	2.8
223.17023	1.4
256.26382	2.9
275.20166	1.5
481.37363	2.3
499.37891	100.0
499.43900	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3759
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
55.05519	6.5
56.77771	5.9
66.14301	6.9
67.05518	7.3
81.07054	17.3
95.08592	12.9
107.08625	11.9
109.10168	7.9
118.49865	8.4
119.08549	8.4
129.53296	6.8
131.08633	7.8
139.17889	7.6
187.41861	7.9
317.88629	9.8
331.22495	74.7
413.30338	9.7
481.36337	33.0
499.38205	100.0
499.43948	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61208	1.1
54.22739	1.1
55.05520	12.0
57.03440	2.8
57.07085	13.7
61.02919	2.2
61.73631	1.3
67.05508	26.8
69.03432	2.3
69.07069	28.6
71.08634	15.4
79.05483	7.9
81.06618	2.2
81.07063	40.2
83.04974	1.4
83.08622	21.2
83.55796	1.4
85.02886	2.8
85.10178	7.2
86.06037	1.4
88.07632	1.7
91.05466	6.0
93.07044	16.2
95.08602	39.5
97.02883	5.3
97.06516	5.7
97.10168	18.8
99.04424	2.0
99.08082	1.5
100.07601	6.5
105.07008	8.1
107.08562	11.5
109.10145	21.0
111.08052	5.4
111.11706	8.5
114.09171	2.5
119.08583	10.1
121.10152	27.4
123.11729	11.2
125.09727	1.5
127.11119	1.7
127.47568	1.6
128.10739	2.3
131.08562	2.7
133.10152	10.9
135.11658	9.3
137.09615	2.7
137.13231	5.4
138.12752	12.9
139.07536	3.0
139.11166	15.7
147.11662	9.4
149.09622	9.0
149.13205	2.4
151.11143	1.5
155.14343	2.5
156.10226	5.3
156.13860	11.3
161.13263	5.7
163.14804	3.4
165.12700	1.5
165.16328	1.7
166.12303	2.6
175.14746	1.9
177.76157	1.4
184.13316	84.1
189.16328	1.9
193.62758	1.4
202.14336	18.9
245.22585	8.2
251.23535	1.5
256.26263	8.2
263.23691	8.1
279.22940	1.9
280.26294	15.6
281.24765	1.9
298.27380	18.3
308.29395	2.0
337.27545	1.8
481.39954	100.0
499.32635	9.0
499.40475	10.0
507.17334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69168	1.3
55.05507	11.3
57.03446	2.2
57.07076	11.2
67.05514	20.6
69.03432	2.0
69.07080	18.3
69.11439	1.6
71.04967	2.4
71.08628	10.2
71.61231	1.6
79.05508	2.8
79.92288	1.5
81.07067	32.5
83.04988	3.1
83.08614	19.7
85.10184	3.9
85.61238	1.5
86.06080	2.1
88.07598	1.6
91.05476	3.5
93.07040	14.9
95.08604	33.7
97.06507	6.5
97.10169	17.4
100.07621	3.1
105.07035	6.8
107.08594	10.5
109.10165	21.3
109.10832	3.0
111.08107	5.8
111.11717	7.5
114.09094	2.0
119.08582	6.6
121.10153	23.9
123.08057	2.2
123.11707	8.9
128.10732	2.0
133.10121	10.9
135.11707	3.6
137.09618	2.7
137.13251	2.8
138.12753	8.1
139.07552	2.6
139.11169	13.4
144.46834	1.9
147.11696	10.4
149.09589	2.5
149.13324	2.6
151.11203	3.0
151.14830	1.7
155.14311	3.8
156.10172	3.2
156.13835	8.6
161.13275	3.7
163.14796	1.7
165.12730	3.2
166.12285	2.6
174.11284	1.8
175.14787	2.4
184.13322	70.7
189.16449	1.8
202.14407	13.2
224.84779	2.1
233.39824	1.9
245.22543	3.4
256.26331	8.8
263.23810	6.0
280.26355	10.9
298.27417	10.8
326.30530	2.1
337.27325	2.0
367.19003	1.8
477.18198	1.8
481.40005	100.0
499.32135	7.0
499.40811	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38478	0.1
61.44523	0.1
61.56179	0.1
69.85564	0.1
143.46696	0.1
262.08630	0.2
264.10461	0.1
278.08112	1.2
290.08096	0.4
291.08859	0.2
292.09677	4.3
294.07697	0.2
306.07584	1.3
308.05594	0.3
308.09155	0.1
318.07617	0.6
320.09183	100.0
321.09497	1.8
323.07953	0.7
334.10666	0.2
335.72269	0.1
336.12146	0.7
338.06519	1.3
338.10281	1.5
400.79376	0.1
500.13153	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1338
Annotation	Ericamycin
Peak:m/z	Relative Intensity
51.01924	0.7
53.48523	0.6
55.47355	0.7
56.43416	0.7
57.34124	0.7
60.59859	0.8
61.03533	0.7
65.44369	0.8
70.09185	0.7
71.91254	0.9
82.87624	0.8
92.21503	1.2
110.07785	0.8
136.66541	0.8
180.50333	0.9
190.04948	6.3
191.05371	3.7
197.03992	0.8
225.37415	0.9
286.54346	0.8
320.09116	7.5
334.10822	3.2
336.12241	5.0
369.09869	1.2
398.10291	1.6
412.12061	8.3
414.09735	6.4
426.09744	4.6
427.06537	3.7
428.11188	7.3
439.10156	1.5
440.11450	7.7
441.08524	1.5
442.09161	14.4
454.08737	1.0
456.10806	17.7
468.10898	6.3
470.08792	32.5
484.10266	23.4
485.10736	7.3
500.13354	100.0
513.16351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67628	0.5
53.21474	0.5
66.41943	0.5
66.42294	0.4
84.63814	0.5
85.74539	0.5
91.57366	0.7
92.20972	0.8
101.85995	0.5
173.04712	1.3
174.05482	6.0
186.05569	0.7
187.06308	2.5
188.03412	3.8
234.39532	0.6
284.10342	0.7
285.07587	1.0
289.65503	0.6
290.08118	0.7
319.08374	2.3
320.09186	3.0
322.10464	0.8
323.10663	0.7
328.94296	0.5
334.10745	3.7
335.07880	0.9
336.12280	2.9
414.09360	0.9
416.72604	0.6
424.07764	1.0
425.08447	0.6
426.09421	0.9
429.12396	0.8
438.09714	0.9
439.10742	1.3
440.11371	5.5
442.09131	17.1
447.23300	0.6
455.10001	1.1
456.09976	4.5
457.11581	13.2
468.10626	6.1
470.08304	5.1
484.09924	7.1
485.10968	1.0
500.13712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.134
Annotation	Unknow
Peak:m/z	Relative Intensity
78.89292	0.6
99.83035	0.6
111.28486	0.6
148.28995	0.7
159.80067	0.8
181.04924	7.2
223.13530	0.8
223.93140	0.7
278.08142	10.4
290.08133	1.4
292.09622	5.9
304.05795	2.6
304.09296	1.3
305.06482	1.0
306.07666	11.0
318.07590	4.9
319.08444	10.3
320.09152	22.3
321.09583	0.8
322.10464	1.3
323.07471	1.2
325.60858	0.7
334.10715	20.0
335.11115	2.5
336.12183	5.1
338.09918	0.8
350.09882	1.5
381.10074	5.0
383.11166	1.6
408.16299	0.8
409.09296	0.8
426.09308	1.3
438.09592	0.8
442.08618	3.2
456.10535	6.6
468.10455	1.0
470.08249	3.1
472.13306	1.1
484.10172	28.8
485.10809	4.0
500.12927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1339
Annotation	Ericamycin
Peak:m/z	Relative Intensity
50.67628	0.5
53.21474	0.5
66.41943	0.5
66.42294	0.4
84.63814	0.5
85.74539	0.5
91.57366	0.7
92.20972	0.8
101.85995	0.5
173.04712	1.3
174.05482	6.0
186.05569	0.7
187.06308	2.5
188.03412	3.8
234.39532	0.6
284.10342	0.7
285.07587	1.0
289.65503	0.6
290.08118	0.7
319.08374	2.3
320.09186	3.0
322.10464	0.8
323.10663	0.7
328.94296	0.5
334.10745	3.7
335.07880	0.9
336.12280	2.9
414.09360	0.9
416.72604	0.6
424.07764	1.0
425.08447	0.6
426.09421	0.9
429.12396	0.8
438.09714	0.9
439.10742	1.3
440.11371	5.5
442.09131	17.1
447.23300	0.6
455.10001	1.1
456.09976	4.5
457.11581	13.2
468.10626	6.1
470.08304	5.1
484.09924	7.1
485.10968	1.0
500.13712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57518	0.5
58.06587	0.8
58.47307	0.6
58.97056	0.6
91.30235	0.8
115.07259	0.6
116.24057	0.7
174.05501	5.9
186.05563	0.9
187.06226	1.7
188.03392	4.6
229.15285	0.7
285.07565	1.0
290.07935	1.2
304.05905	1.0
306.07516	1.1
307.08148	0.7
318.07336	1.4
319.08374	8.9
320.09189	6.2
321.09451	0.9
323.07813	1.3
334.06808	1.1
334.10690	22.0
336.08319	1.4
336.12091	4.5
337.08856	2.7
424.08398	1.3
426.10306	1.1
439.10236	1.2
440.11176	5.6
442.09058	12.0
456.10623	4.7
457.11636	10.6
468.10590	4.8
470.07825	5.6
472.13977	0.9
475.33167	0.7
484.09946	6.7
485.10199	1.5
500.13165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69313	0.3
51.71413	0.4
68.55593	0.4
77.91728	0.4
78.16505	0.4
85.03661	0.4
94.23972	0.5
109.59255	0.4
127.04103	0.4
133.82080	0.4
157.74187	0.5
193.04953	3.8
213.75273	0.5
217.53705	0.4
219.12462	0.5
272.74283	0.4
273.67477	0.4
294.11389	1.7
308.09192	0.8
322.10739	4.2
323.07809	28.3
323.11505	14.2
324.11942	0.5
338.10162	100.0
338.13885	44.9
464.57730	0.5
500.15512	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39794	0.1
69.43084	0.1
90.36542	0.1
205.85078	0.1
278.08148	0.2
280.05948	0.9
290.08212	0.1
305.06970	0.9
306.07526	0.5
308.05499	42.2
319.08331	0.3
320.05435	0.2
320.09152	3.8
321.09509	3.0
323.07855	100.0
334.10684	0.5
338.10187	61.2
353.08826	1.3
368.11285	1.6
500.15488	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69313	0.3
51.71413	0.4
68.55593	0.4
77.91728	0.4
78.16505	0.4
85.03661	0.4
94.23972	0.5
109.59255	0.4
127.04103	0.4
133.82080	0.4
157.74187	0.5
193.04953	3.8
213.75273	0.5
217.53705	0.4
219.12462	0.5
272.74283	0.4
273.67477	0.4
294.11389	1.7
308.09192	0.8
322.10739	4.2
323.07809	28.3
323.11505	14.2
324.11942	0.5
338.10162	100.0
338.13885	44.9
464.57730	0.5
500.15512	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93455	0.6
61.50661	0.6
67.73927	0.7
96.71671	0.8
96.84500	0.9
103.70193	0.9
118.88173	0.8
137.06010	0.9
162.48592	0.7
225.42482	0.9
284.24905	0.8
308.05505	34.0
319.08572	1.2
320.09155	4.5
321.09543	1.1
323.07883	83.6
330.36191	0.7
334.10791	4.7
335.11252	1.5
336.12048	2.8
338.10214	49.2
346.10913	3.9
438.13577	0.8
452.11435	1.3
454.12842	1.5
455.13983	3.5
456.14566	1.5
466.12677	1.2
467.13510	8.7
468.14511	5.9
470.16141	5.3
482.16196	3.2
485.14700	9.9
500.16675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11545	0.5
74.34025	0.6
107.81288	0.7
119.22787	0.5
138.63036	0.5
186.12602	0.6
255.11269	0.7
262.77670	0.7
266.08054	4.3
279.08994	1.0
294.07629	12.7
295.08426	3.3
306.07669	3.5
307.08490	2.3
308.05542	21.2
309.09973	0.9
310.07181	0.6
310.10706	1.2
320.09186	32.3
322.07108	2.8
323.07877	62.8
328.40240	0.6
336.12286	3.2
338.10211	100.0
362.08606	0.7
469.07367	0.7
500.15613	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.2
70.06590	5.3
73.37653	0.2
83.08623	0.3
86.09706	0.3
91.11363	0.3
93.36399	0.3
93.89458	0.2
97.04549	0.3
99.04422	0.4
101.55948	0.3
102.21269	0.3
105.07011	0.3
109.02887	0.4
109.06535	0.3
113.56020	0.2
121.10124	0.3
127.03880	0.6
128.07048	0.3
130.08624	1.2
136.05156	0.4
147.04391	0.4
147.11705	0.3
158.08051	0.3
165.12802	0.4
175.03851	1.0
207.06479	0.4
220.71379	0.3
238.97672	0.3
282.34180	0.3
294.08310	0.3
294.11276	3.0
301.78592	0.3
306.11002	0.4
308.09103	2.2
320.09180	0.6
322.07208	0.5
322.10699	5.8
323.07825	32.4
323.11511	16.3
336.12274	2.6
337.12961	2.0
338.10168	100.0
338.13876	49.5
485.17053	0.3
500.15472	22.7
500.19177	13.5
500.28671	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.5
68.96777	0.4
72.08147	0.4
80.60854	0.4
80.61313	0.4
90.54157	0.4
95.06011	0.4
109.02857	0.5
121.06486	4.3
122.06833	1.5
138.09180	0.4
156.74062	0.4
175.77827	0.4
265.87921	0.4
295.36969	0.5
306.11343	0.5
322.07129	0.5
322.10699	4.8
323.07840	29.2
323.11511	8.8
324.13611	0.4
337.09460	0.8
338.10220	100.0
338.13855	9.2
366.09854	0.5
482.18390	1.8
500.14896	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57155	0.5
53.94663	0.6
54.04422	0.5
54.10747	0.5
55.23873	0.5
58.13062	0.5
60.08342	0.5
70.06579	2.6
82.55152	0.5
87.46071	0.5
93.08926	0.6
103.63534	0.6
109.02941	0.6
161.87886	0.6
179.52391	0.6
294.11258	5.0
306.11215	0.8
308.09116	6.0
320.09244	4.8
322.10699	5.6
323.07822	30.0
323.11526	19.7
336.12238	1.3
337.13116	1.4
338.10178	100.0
338.13907	50.1
472.13162	0.6
494.94165	0.7
500.15378	24.5
500.19229	21.8
500.29224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05130	0.4
114.03102	0.5
118.74180	0.4
145.57951	0.4
211.34090	0.5
290.07980	0.7
292.09494	2.6
319.08273	2.3
320.09171	100.0
334.10773	3.3
346.10623	0.7
356.54227	0.6
450.13214	0.8
453.12122	0.6
454.12860	7.1
455.13943	1.9
456.14716	0.5
467.13962	3.2
468.14380	4.5
470.16193	2.9
482.16510	1.9
484.13983	0.8
485.14713	4.3
500.17303	42.7
505.73773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35986	0.7
57.27401	0.7
61.33540	0.8
72.86372	0.7
85.81200	1.0
89.44465	0.9
135.90269	0.9
292.09616	2.2
304.06299	1.0
306.07458	1.1
308.05475	2.3
318.07578	1.9
319.08398	6.8
320.09164	100.0
323.07971	8.0
324.10504	1.6
334.10678	12.6
335.11063	1.4
336.12222	2.1
338.10278	6.2
452.11063	1.4
466.12439	4.1
467.13110	1.4
482.15927	4.1
500.17303	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50509	0.4
52.67208	0.5
54.70477	0.5
58.27938	0.5
58.63405	0.7
76.48900	0.6
122.78089	0.6
148.39828	0.7
176.97958	0.6
192.79190	0.7
205.91214	0.6
279.30148	0.6
308.05490	18.6
308.08755	0.8
320.09213	1.4
323.07858	48.2
332.09195	1.1
334.10760	2.6
338.10211	27.7
346.10840	3.8
362.09879	0.7
426.13510	1.0
427.14670	0.8
438.13327	0.8
439.13870	0.6
449.12891	0.8
450.13498	2.5
452.11569	1.4
455.13641	4.2
456.14627	3.6
466.12946	2.1
467.13583	9.8
468.14447	9.1
470.16049	6.5
472.17490	0.9
482.15909	5.3
484.13370	0.8
485.14709	14.9
500.16776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49501	0.3
78.93707	0.4
112.47752	0.4
113.99177	0.3
124.92049	0.3
137.05969	1.6
140.10738	1.5
154.12270	7.7
157.13339	0.7
171.14882	4.4
292.09662	0.4
308.05612	1.4
313.21091	2.7
320.09088	3.6
320.12399	0.4
321.10016	2.2
323.07996	3.4
327.22824	0.5
332.09268	0.8
334.10495	3.3
335.11465	0.7
336.12292	6.2
338.06470	0.6
338.10257	1.9
341.24490	1.3
346.10727	4.6
424.11905	0.8
426.13464	0.8
438.13461	2.0
439.14261	1.5
440.15295	0.8
449.12576	0.6
450.13419	2.0
452.11285	2.3
454.12732	3.8
455.13498	4.5
456.14368	3.5
457.15475	0.5
466.12863	2.4
467.13638	11.5
468.14380	9.4
470.16147	8.1
472.17178	0.5
482.15991	5.1
484.13895	0.8
485.14706	15.1
500.17014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48584	0.1
67.24789	0.1
75.08215	0.1
80.73883	0.1
95.65492	0.1
106.89654	0.1
111.89718	0.1
118.22681	0.1
131.67920	0.1
206.06631	0.1
290.07977	0.2
292.09653	3.4
318.07581	0.6
320.09167	100.0
323.07727	0.1
334.10727	0.7
338.10291	0.2
408.92133	0.2
500.17398	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15358	0.7
54.73803	0.7
89.46528	0.9
98.47105	0.9
104.50522	1.0
122.06023	0.8
141.33977	1.0
292.09674	12.0
292.38739	1.0
294.07162	1.0
304.09787	1.3
306.07709	3.6
318.07867	1.4
319.08359	1.9
320.09164	100.0
321.09915	20.9
334.10815	4.0
335.11209	5.5
336.12277	70.0
346.10873	1.7
438.13751	1.0
439.14548	1.2
454.13248	1.0
455.13931	1.8
456.14719	1.4
467.13776	5.4
468.14566	4.5
470.15802	6.5
482.16107	1.7
485.14856	9.5
500.17151	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97118	0.3
53.48004	0.3
129.74390	0.3
176.33551	0.4
292.09674	2.8
306.07822	0.6
320.09171	100.0
321.09537	7.6
322.10349	0.4
336.12308	4.4
348.12503	0.4
500.17087	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20707	0.2
92.20831	0.2
93.19242	0.2
110.48475	0.2
110.49542	0.2
132.66483	0.2
154.27272	0.2
282.99774	0.2
290.08069	0.3
292.09659	3.0
318.07587	0.3
320.09167	100.0
322.10394	0.3
337.12634	0.9
500.16852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00980	0.3
62.56567	0.3
63.46089	0.3
70.11870	0.4
99.19020	0.4
99.32841	0.3
102.38454	0.3
102.41776	0.3
128.04997	0.3
158.76395	0.3
230.45932	0.3
278.08298	0.4
286.83267	0.4
291.08817	1.9
292.09650	3.2
306.07684	0.6
318.07706	0.6
319.08252	0.4
320.09164	100.0
321.09836	1.4
323.07880	2.6
334.10736	0.7
336.12347	5.2
338.10089	3.0
456.14359	0.4
485.14774	0.5
500.17575	11.9
529.39093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56919	0.3
52.34388	0.3
64.59690	0.3
66.37401	0.3
75.14630	0.3
80.91602	0.2
94.74744	0.3
122.93705	0.3
159.07169	0.3
290.07986	0.7
291.08530	0.4
292.09689	3.9
306.07626	0.4
306.10922	0.3
318.07574	1.5
319.08380	1.8
320.09164	100.0
321.09833	0.3
322.10370	0.4
334.10757	3.6
336.12198	0.6
337.12717	0.4
500.13519	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
73.38139	0.2
78.40100	0.2
79.94805	0.2
246.13692	0.2
261.50418	0.2
277.07318	0.3
290.08017	0.4
292.09665	3.9
318.07559	0.4
320.09171	100.0
321.09705	1.1
334.10815	0.4
336.12299	2.3
337.12619	1.4
338.06534	1.3
338.10211	0.3
363.15280	0.2
388.66412	0.2
458.96948	0.2
500.17679	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58249	0.2
54.83955	0.2
58.27581	0.2
58.27884	0.2
78.53651	0.2
84.62330	0.3
85.31284	0.2
90.83520	0.3
171.61229	0.2
210.44069	0.2
290.07980	0.3
292.09723	2.3
320.09171	100.0
336.12265	0.4
337.12723	0.4
500.16156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40693	0.2
59.92124	0.2
62.61330	0.2
79.84924	0.2
82.37256	0.2
97.34917	0.3
119.64931	0.3
154.12289	0.4
225.49437	0.3
262.50342	0.3
271.42014	0.3
290.08084	0.3
292.09546	3.1
318.07562	0.3
320.09161	100.0
321.10083	0.4
336.12369	0.6
384.90097	0.3
457.64587	0.3
500.17145	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1709
Annotation	Halofantrina
Peak:m/z	Relative Intensity
65.51292	0.5
114.07480	0.6
117.40302	0.5
117.88596	0.5
188.29114	0.6
290.08084	0.7
292.09662	0.9
308.05515	20.5
319.08612	1.0
320.09207	17.1
321.10065	2.1
323.07892	51.2
334.10782	3.2
336.12134	2.3
337.09543	1.2
338.10223	28.9
420.46970	0.6
438.13446	1.2
450.13354	2.3
452.11060	1.0
454.12854	15.8
455.13293	1.0
456.14594	4.6
466.12833	2.4
467.13724	5.2
468.14508	7.6
470.16061	2.6
482.16104	2.5
484.13763	2.5
485.14801	7.8
500.16794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75411	0.6
51.99837	0.7
54.34378	0.6
59.16006	0.6
61.60124	0.6
71.03909	0.7
81.14436	0.6
84.01684	0.7
89.34918	0.7
102.52530	0.7
165.62959	0.8
290.08170	0.7
294.11264	12.5
298.02963	0.7
304.05563	0.8
306.11246	1.6
307.08664	1.0
308.09161	16.3
318.07596	1.0
319.08340	4.1
320.05783	1.1
320.09137	11.6
322.10730	14.9
323.11502	44.2
334.10767	4.8
338.13870	100.0
407.97531	0.7
457.06943	0.9
500.19540	57.5
528.35468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29484	0.6
73.69534	0.7
81.16537	0.6
83.35542	0.6
94.00041	0.6
189.21577	0.7
192.73424	0.7
294.11209	12.2
306.11261	2.5
308.09131	6.0
322.10721	14.1
323.11514	42.8
338.13840	100.0
500.19186	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.9
70.06587	0.8
72.99023	0.8
89.20815	0.8
90.97790	0.8
148.69174	0.7
177.05455	1.1
193.04936	4.0
220.15877	1.0
237.26128	0.8
241.03583	0.9
294.11227	8.3
306.11227	1.2
308.09122	4.6
320.08945	1.7
322.10721	10.5
323.07797	33.3
323.11514	32.5
336.12421	1.3
338.10147	100.0
338.13876	87.0
500.15094	18.3
500.19141	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13670	0.6
63.64683	0.5
65.68929	0.5
70.30720	0.7
70.90231	0.5
129.99736	0.7
131.43298	0.6
131.54182	0.6
167.11864	0.7
177.75508	0.7
287.71985	0.7
294.11234	11.4
306.11301	1.5
308.09103	7.0
320.09149	1.1
322.10739	11.4
323.11493	40.6
338.13858	100.0
344.94537	0.6
446.73929	0.7
447.93933	0.7
500.19223	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68560	0.5
58.11294	0.5
64.59802	0.5
65.96888	0.5
68.70406	0.5
76.16324	0.6
80.49860	0.6
83.73478	0.6
89.14757	0.6
97.70631	0.6
294.11246	13.9
306.11264	1.3
308.09167	5.4
322.10718	15.2
323.11505	45.7
338.13861	100.0
346.67673	0.6
500.19186	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27165	0.6
52.77773	0.7
53.03946	3.6
55.01874	0.9
56.77657	0.6
57.03450	0.8
58.06605	1.1
69.03428	5.5
71.04994	1.1
72.33231	0.7
81.03420	10.2
84.84002	0.7
85.02911	8.5
87.04469	1.0
97.02893	4.0
99.04456	44.5
100.87295	0.8
109.02867	3.3
121.73970	0.7
127.03905	4.6
136.06178	22.1
136.07211	1.3
137.06003	11.4
149.06017	0.9
178.07297	1.3
202.10716	1.3
204.08765	1.4
213.09122	1.3
222.09816	3.6
236.09131	1.2
240.10902	100.0
241.08688	1.1
273.11179	6.1
282.11929	1.5
364.16174	1.0
500.19894	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08104	0.4
66.21240	0.6
70.74533	0.5
84.79539	0.5
91.61230	0.5
109.91058	0.6
164.13275	0.6
200.23120	0.8
281.23575	0.7
290.08066	9.6
302.08136	3.3
304.06049	10.8
318.07547	12.8
319.08380	49.5
320.09210	2.4
334.10724	100.0
387.14700	3.6
416.14969	1.4
454.20209	1.1
500.20688	39.4
528.39856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00657	0.3
63.48402	0.3
66.96305	0.4
98.24625	0.4
112.89066	0.3
120.56773	0.3
276.87851	0.4
290.08133	10.0
302.08090	2.4
304.06076	8.0
305.06830	0.6
318.07614	12.9
319.08389	50.5
320.09238	0.8
333.06415	0.5
334.10727	100.0
336.11810	0.5
347.73080	0.4
454.20184	0.8
500.20734	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33027	0.5
66.58565	0.5
69.03430	1.0
70.63455	0.5
85.02921	2.4
87.04449	0.6
97.02859	0.9
99.04449	1.1
122.03565	0.7
137.05980	100.0
149.05988	5.4
151.07489	2.1
163.07407	0.6
176.06944	0.7
179.06894	0.9
181.06444	2.4
209.06042	1.1
213.09087	5.1
239.70798	0.6
241.08569	6.5
255.10138	0.7
273.11203	22.1
285.11130	2.5
289.47308	0.6
303.12375	4.8
322.07285	0.9
338.10260	3.2
340.08069	6.2
349.18787	0.7
482.20288	0.6
500.11420	1.0
500.20233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11288	1.2
67.05498	8.2
67.69843	1.4
69.07072	5.6
79.33525	1.5
81.07066	10.2
83.08658	2.1
89.43333	1.4
93.07040	2.5
94.15025	1.4
95.08613	9.9
97.10161	2.7
107.08584	2.8
109.10149	3.5
119.08636	1.8
120.96648	16.4
121.10150	2.3
123.11713	1.7
176.99301	3.7
195.00304	16.6
298.17654	1.6
325.88547	1.7
337.27316	13.9
377.27039	2.2
439.22018	14.1
457.23291	38.9
473.37234	1.9
500.27499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2768
Annotation	AZD-9291
Peak:m/z	Relative Intensity
51.45779	3.3
55.01881	4.8
55.05519	6.3
56.44981	3.2
57.03436	5.2
59.05615	3.5
62.06100	44.6
67.05519	34.1
69.07064	6.7
79.05506	24.6
80.94649	3.5
81.07067	25.5
83.98964	5.3
86.09711	9.6
91.05463	32.8
93.07043	26.5
95.08608	31.7
97.06515	4.6
98.98441	21.3
105.07033	10.2
107.08601	9.8
117.07008	17.0
119.08592	24.7
121.10190	6.6
125.00002	4.5
131.08527	19.0
133.10135	7.0
143.08493	3.9
145.10199	6.7
155.01059	4.7
159.11729	7.0
163.01534	6.0
223.08153	4.2
334.10547	6.9
359.25775	100.0
438.97360	5.4
482.26407	46.3
500.26837	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
55.05527	2.6
57.03440	5.6
67.05506	29.5
69.07087	4.0
79.05494	24.3
81.07063	18.7
82.92711	2.1
85.06555	2.5
91.05476	28.5
93.07037	26.3
95.08624	17.6
97.06525	2.2
98.40350	2.2
99.97186	2.0
105.07035	13.7
107.08611	13.5
109.10201	4.3
117.07005	10.9
117.44103	2.3
119.08598	13.5
121.10142	4.5
129.05469	4.6
129.06987	2.5
131.08582	12.1
133.10080	3.3
142.53313	2.3
145.10109	5.0
151.28677	2.5
159.11737	3.7
173.13342	3.1
320.09113	2.8
359.25800	100.0
499.70721	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80912	4.9
60.75845	5.3
81.07072	6.0
93.07043	10.9
95.08579	5.2
109.10153	47.6
121.10149	9.3
123.11702	8.8
131.08583	7.5
133.10138	11.7
135.11703	31.6
147.11694	29.2
151.11169	8.2
157.10155	10.1
161.13239	7.4
163.14676	4.9
169.10117	6.4
185.13205	10.3
187.14845	11.4
197.13243	11.0
211.14812	20.4
214.86371	5.9
225.16524	7.0
267.21051	80.2
285.22119	100.0
291.19586	7.2
303.23306	51.2
320.09134	76.2
321.09631	10.4
322.10583	6.3
334.10715	27.6
336.12344	37.2
371.03528	5.7
484.10168	25.4
500.12598	94.8
500.19467	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07058	3.8
81.07053	10.0
91.05476	4.6
93.07045	8.9
95.04949	2.3
95.08602	9.9
105.07020	15.5
107.08607	12.5
109.10155	47.5
119.08596	9.7
121.10161	13.5
123.11715	12.9
131.08568	5.0
133.10127	28.1
135.11670	23.2
143.08536	2.5
145.10123	9.8
145.24902	2.3
147.11665	25.2
149.13206	3.6
151.11186	10.3
155.08546	2.5
157.10139	3.7
159.11693	11.3
161.13229	4.6
169.10146	9.3
171.11717	4.5
173.13264	12.5
175.14827	2.0
178.18771	1.9
179.63820	2.1
183.11746	11.9
185.13258	11.4
187.14839	15.8
197.13251	11.1
199.14775	8.8
201.16470	7.7
208.09761	11.2
211.14777	15.7
213.16367	3.7
224.15648	2.3
225.16367	9.5
227.18018	2.9
241.19426	3.8
267.21054	78.4
285.22125	100.0
292.09570	8.4
303.23199	59.1
306.07578	4.1
320.09186	15.6
321.09891	11.6
322.10406	4.7
334.10809	13.7
335.11188	3.4
336.12289	34.4
337.12698	12.7
338.13718	3.4
352.15411	2.6
438.11951	4.1
466.11343	4.4
467.11978	2.6
470.11331	2.9
482.13803	3.8
484.13007	4.2
485.13617	3.3
500.15948	38.2
500.25458	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
55.88763	0.4
56.20657	0.5
57.03419	0.6
58.06609	8.9
58.76073	0.4
59.07385	3.4
60.08170	4.3
60.08409	0.6
67.05458	0.8
69.07048	0.7
75.04459	0.8
81.07031	2.0
83.08588	0.7
85.02892	0.6
87.04446	2.0
95.08578	0.6
104.38333	0.5
107.68146	0.5
118.85838	0.5
131.07080	1.2
136.20813	0.5
144.10191	7.6
162.11272	4.3
190.14101	0.5
236.14919	100.0
330.66568	0.5
410.46985	0.5
438.39575	1.0
482.38376	6.9
500.39468	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73579	0.5
57.03443	2.6
58.06609	10.0
59.07394	2.8
60.08167	3.3
60.85949	0.6
63.94830	0.7
67.05474	0.8
69.07081	1.0
75.04480	0.7
81.07082	1.0
87.04440	1.1
94.75440	0.7
95.08610	1.6
97.10139	1.0
106.57346	0.7
107.08578	0.9
109.00852	0.7
144.10222	7.7
162.11256	3.8
163.95699	0.7
217.80527	0.7
236.14912	100.0
242.51717	0.7
314.79739	0.7
316.33881	0.8
316.39117	0.7
482.38419	7.8
500.39471	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
55.49805	1.3
56.81668	1.1
57.03461	1.1
57.07081	1.2
58.06610	19.0
59.07391	5.1
60.08154	6.1
60.92936	1.1
65.20076	1.1
65.41182	1.5
67.05519	2.9
69.07091	3.3
69.38688	1.3
75.56425	1.1
81.07059	2.3
83.08620	2.6
85.02907	1.4
87.04478	1.8
95.08620	2.8
118.02343	1.6
131.07040	1.4
144.10216	8.9
148.47350	1.4
150.82896	1.3
153.70613	1.4
174.10599	1.2
178.53130	1.3
236.14917	100.0
305.05038	1.3
482.38446	6.7
500.39435	83.6
509.44305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64012	1.7
69.03427	2.1
70.06591	8.6
71.95795	2.0
81.03421	10.4
83.21205	1.9
84.73885	2.4
85.02898	2.4
86.09710	5.5
87.05591	13.7
91.05482	5.0
106.99812	2.2
108.04485	9.5
109.02899	2.8
110.06071	3.1
119.04951	19.2
122.06007	4.1
126.05520	2.4
133.06087	11.2
134.05989	23.7
136.03967	3.8
136.07573	3.5
136.89009	2.6
140.50215	2.0
141.34912	2.1
147.04361	21.2
150.05545	2.6
175.03915	72.9
177.05284	5.7
177.06613	12.0
178.04930	2.7
179.08156	14.5
188.31816	2.2
193.04964	4.4
194.04506	10.2
195.07530	2.4
206.04591	2.3
207.06514	100.0
211.07112	29.6
223.07245	3.6
241.08163	13.2
259.09216	3.2
308.09125	9.2
322.10773	27.7
324.08231	3.7
336.12323	19.9
338.10184	21.4
338.13712	4.0
339.10532	81.0
344.77969	2.5
380.11353	3.8
395.16193	2.4
424.13733	8.3
447.13913	4.4
465.15067	24.0
483.16055	15.3
501.14450	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38959	1.5
59.65199	1.7
66.08192	1.7
70.06583	4.8
72.08137	2.1
79.05511	2.4
81.03410	2.1
84.08150	2.3
87.05583	3.9
89.18828	2.0
91.05472	11.7
92.21636	2.4
97.02895	4.0
106.06565	4.1
107.04947	3.0
108.04467	2.9
109.02892	2.6
109.06533	2.9
110.06034	2.3
110.52346	2.0
111.04440	2.1
117.76097	2.0
119.04955	19.6
125.04727	9.2
126.05527	4.3
133.06013	2.0
134.06009	42.9
136.03934	8.6
136.07607	4.8
138.05475	4.0
147.04407	30.6
149.07179	3.3
157.03983	2.9
175.03899	93.9
177.05315	4.2
177.06612	32.7
177.13002	2.2
178.05013	19.7
179.08194	19.6
182.82468	2.6
206.04459	3.0
207.06517	100.0
211.07132	4.2
211.44943	2.1
223.07162	13.2
224.05576	3.6
232.86629	2.5
241.08199	16.1
259.09109	3.2
322.10538	3.9
323.11285	24.5
324.11795	28.6
338.13821	21.8
339.10413	4.3
339.14188	56.4
415.46021	2.6
447.13739	8.5
465.15057	44.7
483.15848	11.7
501.19717	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73726	1.2
62.68235	1.5
67.33268	1.5
104.70564	1.6
105.07029	2.4
105.82190	1.4
107.04984	1.8
107.27867	1.7
121.57641	1.6
133.06485	1.7
135.04350	1.5
137.05930	1.7
147.04326	2.2
151.07561	9.0
161.05969	8.3
166.06201	2.8
167.07027	100.0
184.44521	1.7
190.06194	3.2
191.07082	3.4
199.07484	26.6
199.08803	1.5
209.08035	6.9
223.31955	1.7
231.08006	9.3
233.09642	2.6
237.24332	1.7
248.08313	6.9
249.09125	2.4
255.08565	14.9
259.07556	7.7
260.08270	6.4
261.09021	6.9
263.10608	11.0
265.08633	2.7
273.09091	2.5
276.07816	11.7
277.08539	7.8
287.07047	2.0
288.07791	5.9
289.08560	11.8
290.09158	6.5
291.10178	19.0
292.10889	3.0
293.08014	8.5
293.11703	2.0
302.09326	2.2
303.10178	3.1
304.07278	2.8
305.08051	17.0
305.11765	5.6
306.08871	7.7
308.10330	10.1
309.11267	6.2
319.09723	33.7
320.09396	16.8
321.11026	24.4
322.08411	2.8
323.12466	6.6
334.10760	3.8
336.09711	2.8
337.10611	32.5
342.47369	1.7
351.12238	100.0
352.13062	46.3
364.12930	2.6
395.14761	18.4
409.12714	2.3
441.15482	18.9
501.14590	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73726	1.2
62.68235	1.5
67.33268	1.5
104.70564	1.6
105.07029	2.4
105.82190	1.4
107.04984	1.8
107.27867	1.7
121.57641	1.6
133.06485	1.7
135.04350	1.5
137.05930	1.7
147.04326	2.2
151.07561	9.0
161.05969	8.3
166.06201	2.8
167.07027	100.0
184.44521	1.7
190.06194	3.2
191.07082	3.4
199.07484	26.6
199.08803	1.5
209.08035	6.9
223.31955	1.7
231.08006	9.3
233.09642	2.6
237.24332	1.7
248.08313	6.9
249.09125	2.4
255.08565	14.9
259.07556	7.7
260.08270	6.4
261.09021	6.9
263.10608	11.0
265.08633	2.7
273.09091	2.5
276.07816	11.7
277.08539	7.8
287.07047	2.0
288.07791	5.9
289.08560	11.8
290.09158	6.5
291.10178	19.0
292.10889	3.0
293.08014	8.5
293.11703	2.0
302.09326	2.2
303.10178	3.1
304.07278	2.8
305.08051	17.0
305.11765	5.6
306.08871	7.7
308.10330	10.1
309.11267	6.2
319.09723	33.7
320.09396	16.8
321.11026	24.4
322.08411	2.8
323.12466	6.6
334.10760	3.8
336.09711	2.8
337.10611	32.5
342.47369	1.7
351.12238	100.0
352.13062	46.3
364.12930	2.6
395.14761	18.4
409.12714	2.3
441.15482	18.9
501.14590	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73726	1.2
62.68235	1.5
67.33268	1.5
104.70564	1.6
105.07029	2.4
105.82190	1.4
107.04984	1.8
107.27867	1.7
121.57641	1.6
133.06485	1.7
135.04350	1.5
137.05930	1.7
147.04326	2.2
151.07561	9.0
161.05969	8.3
166.06201	2.8
167.07027	100.0
184.44521	1.7
190.06194	3.2
191.07082	3.4
199.07484	26.6
199.08803	1.5
209.08035	6.9
223.31955	1.7
231.08006	9.3
233.09642	2.6
237.24332	1.7
248.08313	6.9
249.09125	2.4
255.08565	14.9
259.07556	7.7
260.08270	6.4
261.09021	6.9
263.10608	11.0
265.08633	2.7
273.09091	2.5
276.07816	11.7
277.08539	7.8
287.07047	2.0
288.07791	5.9
289.08560	11.8
290.09158	6.5
291.10178	19.0
292.10889	3.0
293.08014	8.5
293.11703	2.0
302.09326	2.2
303.10178	3.1
304.07278	2.8
305.08051	17.0
305.11765	5.6
306.08871	7.7
308.10330	10.1
309.11267	6.2
319.09723	33.7
320.09396	16.8
321.11026	24.4
322.08411	2.8
323.12466	6.6
334.10760	3.8
336.09711	2.8
337.10611	32.5
342.47369	1.7
351.12238	100.0
352.13062	46.3
364.12930	2.6
395.14761	18.4
409.12714	2.3
441.15482	18.9
501.14590	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63125	0.8
59.46250	0.8
68.22926	0.8
78.50958	0.8
79.05499	1.1
98.41995	0.9
103.27353	1.2
103.74598	0.8
105.07014	3.4
107.04958	2.3
123.04404	1.2
131.04961	1.7
133.06502	2.1
151.07564	11.0
153.05466	4.0
161.06024	6.3
162.06839	1.1
166.06255	4.3
167.07028	91.3
171.08073	1.4
175.07549	3.9
177.05533	1.2
179.06953	1.2
184.05215	1.5
188.87740	1.0
190.06218	3.4
191.07037	5.5
199.07538	29.6
203.08463	1.4
209.08070	2.1
215.05446	0.8
218.07275	1.1
219.08057	1.1
220.08731	1.0
220.51070	1.0
231.08041	5.8
232.08832	2.1
233.09671	1.9
243.07997	1.4
245.09589	1.3
248.08286	5.2
249.09061	4.6
255.08588	16.3
258.06723	1.2
259.07587	9.1
260.08328	4.6
261.05392	1.5
261.09076	7.8
262.09970	1.7
263.08136	0.8
263.10596	8.8
265.08603	4.8
272.08206	1.0
273.09116	4.1
275.07233	1.2
275.10565	1.5
276.07840	12.1
277.08530	12.1
278.09384	1.9
279.08582	1.5
287.07016	3.5
288.07855	7.4
289.08566	10.8
290.09314	6.8
291.10095	20.7
292.10910	3.8
293.08075	9.8
293.11685	4.9
294.08658	2.0
301.08682	4.3
302.09357	2.0
303.10141	5.5
304.07254	5.8
304.10568	1.0
305.08051	14.0
305.11719	4.0
306.08969	7.3
306.12137	1.2
307.09702	2.2
308.10413	11.5
309.11243	8.0
318.08789	4.3
319.09616	27.6
320.10388	14.9
321.08072	2.5
321.11301	29.1
322.08322	2.2
323.12671	5.4
333.11209	2.0
334.10916	3.7
335.11404	2.1
336.06189	1.0
336.09839	4.7
336.13327	4.4
337.10669	32.2
339.12524	1.6
351.12241	100.0
352.13034	43.7
352.16406	1.1
364.13058	3.8
395.14835	12.4
409.12939	3.6
441.15381	20.7
501.16083	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50230	0.6
58.06610	1.6
64.16033	0.6
70.06604	3.1
76.68539	0.7
84.08170	3.4
85.51379	0.7
86.09722	3.1
88.10863	0.7
96.45137	0.7
104.46922	0.7
108.48580	0.8
129.10287	2.9
137.05992	0.9
160.41061	0.6
164.07086	2.8
185.42346	0.7
192.10242	0.9
255.68965	0.7
291.08694	0.6
292.09610	0.8
294.11380	4.5
306.07767	0.9
306.11368	0.9
307.08398	1.6
308.09195	14.4
308.12518	1.4
321.09973	3.1
322.10721	53.8
323.11319	8.5
324.12402	1.6
336.12299	33.4
337.12991	1.5
338.13849	12.6
339.13458	1.1
442.69415	0.7
443.15634	0.7
457.17542	6.9
460.83502	0.8
469.17514	1.3
470.16235	2.9
471.15515	8.8
485.17081	9.3
486.17828	7.1
501.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95675	1.9
63.13131	2.2
66.15486	2.1
68.99792	4.8
79.05476	5.2
85.06525	2.5
89.03883	3.4
91.05492	19.9
95.04928	2.4
103.05466	2.6
106.28782	2.2
107.04945	5.2
117.03330	9.0
119.04925	12.6
121.02868	3.3
121.06514	5.6
125.05988	2.7
127.22110	2.4
131.04900	2.7
134.03622	2.6
135.04413	12.3
136.05194	8.9
139.07539	4.4
140.04700	3.2
145.02841	13.2
145.04028	3.2
147.04469	8.1
149.05991	10.1
151.07533	24.2
153.05484	4.9
162.03062	3.9
163.03922	36.3
166.06236	26.0
167.07054	22.7
173.09616	4.9
175.03874	3.6
177.05469	26.0
178.06232	63.1
179.07013	66.8
180.04205	5.0
181.05006	2.9
181.08566	21.5
188.08302	2.3
189.09059	3.4
190.02713	3.3
191.03381	3.3
191.06990	21.4
194.09351	26.4
195.06549	15.3
198.10413	2.2
201.09180	3.3
203.10698	2.8
205.04973	55.5
207.06433	3.3
209.08058	63.4
213.09027	3.3
216.11441	5.5
219.10194	4.4
223.05994	100.0
228.11417	4.1
229.08560	3.9
233.11757	9.5
247.13287	14.9
249.14919	4.5
259.13348	11.9
261.11166	9.2
277.14526	3.0
279.12277	5.5
307.11743	4.9
309.07129	2.5
319.08353	2.9
320.08957	4.5
334.10724	5.2
335.10980	4.9
399.14249	12.3
417.15411	4.3
501.10272	3.8
501.16986	4.6
501.22595	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81145	2.0
58.93256	2.0
59.36243	1.8
67.05501	4.3
70.36915	1.7
79.05470	3.4
80.52289	2.0
85.06535	2.6
91.05488	13.6
97.04777	2.0
105.07049	2.7
109.06499	8.9
117.03362	8.8
119.04967	17.5
121.06518	2.9
127.97758	2.2
135.04407	8.7
136.05270	3.1
145.02840	20.4
147.04419	17.0
149.05969	16.4
151.07570	9.6
162.03104	8.8
163.03944	21.8
166.06195	18.2
167.07021	10.5
175.03885	33.0
177.05460	42.9
178.06238	53.9
179.07025	26.9
181.05043	2.1
181.08589	27.8
188.08247	2.1
190.02618	3.3
191.03439	14.4
191.06950	3.0
194.09427	15.6
195.06490	8.8
202.09966	2.6
204.07800	2.4
205.04973	100.0
207.06535	42.3
207.10370	3.1
209.08102	52.7
219.10144	4.3
223.06000	64.3
225.95285	2.0
233.11818	3.6
247.13351	10.8
259.13428	3.4
277.14337	4.4
319.08328	5.1
320.09171	8.4
334.10770	9.4
335.10690	2.1
339.12253	2.8
340.99719	2.6
399.14380	29.8
501.15991	2.3
501.21451	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47460	2.1
62.71340	2.5
63.65636	2.3
66.79919	2.6
73.06888	2.1
74.98187	2.7
79.05480	3.6
81.07066	2.7
90.78721	2.3
91.05467	13.5
102.56447	2.5
107.04936	2.9
112.84183	2.4
117.03408	3.6
119.04959	17.0
121.06500	3.4
134.20256	2.6
135.04416	17.2
136.05196	4.2
139.07599	2.9
145.02846	16.3
147.04427	18.6
149.05989	10.1
151.07597	13.2
162.03168	2.5
163.03900	44.6
166.06218	20.9
167.07112	4.8
175.03899	34.4
177.05429	23.5
178.06248	54.4
179.07062	31.0
181.04947	5.0
181.08601	25.5
191.03458	12.7
192.04187	3.1
193.08603	3.3
194.09355	17.6
195.06560	10.2
205.04968	25.0
207.06544	36.7
209.08134	32.7
223.06029	100.0
247.13281	5.6
259.13312	5.3
260.14081	3.6
277.14331	4.1
320.09155	13.5
320.88562	3.2
334.10861	3.2
399.14307	17.3
417.15472	15.1
501.14618	4.3
501.21210	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45099	0.5
58.06610	100.0
65.93283	0.5
92.21543	0.8
96.14631	0.5
117.14795	0.5
121.06536	1.2
175.03929	0.8
207.06587	0.9
229.07494	0.6
233.50746	0.6
245.04497	2.3
277.08688	2.7
277.77020	0.6
290.08334	0.7
294.09039	1.3
296.10400	4.4
309.11224	7.7
318.07602	1.3
319.08359	5.3
320.09171	2.4
321.09644	2.9
334.10800	9.3
335.10999	2.3
336.12460	2.8
337.12756	2.0
353.16113	4.7
354.16959	1.0
424.15750	1.1
469.21237	0.8
470.22040	27.5
501.16812	5.4
501.23938	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2845
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
52.25385	2.5
53.03958	4.1
55.05509	8.2
57.19106	2.8
63.02786	3.2
67.05499	17.1
69.07052	7.9
71.04985	3.1
79.05481	17.7
81.03416	14.7
81.07056	22.5
91.05490	13.6
93.07043	14.7
95.04966	6.9
95.08604	18.0
97.10212	4.0
99.04447	60.0
105.07034	19.4
107.04951	3.9
107.08611	6.8
114.24136	2.8
117.07021	7.7
119.08568	16.6
121.10189	4.0
123.08054	5.1
129.07014	4.8
131.08594	20.9
133.10133	8.1
143.08568	17.6
145.10129	23.2
147.11685	5.9
149.09628	5.3
149.13292	3.9
151.07516	3.9
152.65012	3.1
155.08511	5.7
157.10129	14.4
159.08044	5.9
159.11708	16.6
167.08546	3.6
169.10117	7.7
171.11690	13.3
173.13228	3.9
175.51073	3.4
181.10062	7.3
183.11697	7.9
185.13228	4.9
187.11160	5.1
195.11729	5.2
197.13226	6.2
198.30222	3.3
199.14713	3.5
201.12761	3.9
209.13316	4.0
212.12987	5.1
283.20453	4.7
313.21603	6.8
339.22852	4.1
349.21552	6.8
367.22632	21.4
374.86749	3.2
385.23819	16.1
465.26315	13.5
483.27435	44.7
501.28214	100.0
501.39417	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94593	4.8
60.74169	5.2
61.51301	4.7
70.24360	5.3
75.70026	5.1
77.74792	4.8
79.78632	5.6
82.62605	6.0
103.79021	5.1
115.19941	5.6
118.72708	5.1
127.81514	5.2
131.21547	5.2
143.58305	5.3
236.78268	5.4
289.32413	6.3
310.19724	5.8
430.12015	7.5
497.18317	7.1
501.34259	100.0
514.46381	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77784	5.8
55.05524	8.1
57.03429	14.3
57.07079	7.1
61.02922	42.0
67.05506	32.3
69.03429	30.9
69.07059	47.1
71.05028	8.2
73.02924	13.6
74.35262	6.5
78.45090	6.4
79.05470	10.8
81.03455	8.1
81.07058	33.7
83.04955	9.1
83.08618	32.8
85.02898	56.3
87.04562	7.4
88.17137	5.6
91.03957	28.4
93.07035	16.3
95.08586	43.2
97.02883	42.9
97.10181	11.7
99.04443	8.0
101.02383	9.9
101.04559	7.3
107.08599	13.7
109.02915	9.2
109.10203	10.3
121.10169	16.3
124.66701	8.4
127.03879	7.1
135.11694	9.7
192.65747	7.9
195.97752	7.8
201.07358	7.5
265.25281	13.0
274.27240	9.8
339.28903	70.7
346.56836	7.9
483.33270	7.1
485.44354	7.3
501.34048	100.0
501.42270	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86884	3.1
55.05515	38.0
57.03432	22.1
57.07079	29.2
57.07302	2.7
58.06603	14.2
60.08176	4.6
61.02937	39.5
65.50434	2.8
66.96751	3.1
67.05514	41.5
67.05822	5.0
69.03426	19.8
69.07072	40.3
71.08646	26.2
73.02911	18.6
79.05476	16.7
81.03432	3.7
81.07063	46.8
83.08622	48.9
85.02905	38.0
85.10174	19.9
87.04445	3.6
91.03955	17.8
93.07047	22.5
95.08598	37.8
97.02893	36.4
97.10169	76.4
99.04430	4.6
101.02354	4.5
107.08598	25.1
107.88376	3.6
109.02904	4.1
109.10162	23.3
111.08142	3.5
121.10134	23.0
123.11713	5.1
125.09628	62.9
126.75462	4.4
127.03913	12.7
129.05467	3.5
135.07970	4.7
135.11714	7.2
144.10181	5.3
145.05006	5.0
147.11650	5.3
171.10202	4.9
184.13351	5.0
189.11221	30.8
227.12790	60.9
228.15910	22.0
236.14908	100.0
237.15259	50.7
245.13785	41.1
253.20091	4.0
265.25284	16.9
292.90878	3.4
313.27490	50.8
339.29028	63.7
422.12512	3.7
439.32462	4.3
483.37234	46.9
501.33948	78.1
501.40094	88.5
521.99622	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48038	6.6
55.54383	5.6
57.10532	5.5
90.60527	5.6
116.55826	8.2
178.04793	6.5
193.54172	6.3
198.20027	6.7
368.11758	7.4
388.34885	7.7
501.35431	100.0
522.95801	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3573
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.05520	15.2
57.07082	2.9
58.78424	2.2
64.07343	1.7
67.05502	11.6
69.07074	19.2
70.42857	1.6
70.63471	1.7
79.05499	10.8
81.07062	26.8
83.08612	13.6
84.04542	2.0
91.05482	4.6
93.07042	4.5
94.10334	2.0
95.08614	31.4
97.10174	3.7
105.07021	12.8
105.45634	1.8
107.08589	14.5
107.83125	2.3
109.06496	2.7
109.10152	20.9
113.38337	1.9
119.08568	11.9
119.57108	2.1
121.06515	16.9
121.10128	11.0
123.08056	3.9
123.11710	10.6
131.08556	4.9
133.06451	3.1
133.10138	7.7
135.08052	11.7
143.08508	7.6
145.06480	3.5
145.10117	10.0
147.08069	4.7
147.11661	10.3
157.10121	10.7
159.08055	8.4
159.11671	9.4
161.09615	10.5
161.13246	2.4
169.10159	4.4
171.08099	2.2
171.11708	4.3
173.09596	25.9
173.13329	2.8
175.11165	12.1
183.11682	3.0
185.09465	2.4
185.13258	5.2
187.11151	9.0
187.14806	3.0
189.12773	8.4
193.40721	2.4
197.13239	2.7
201.12747	3.8
203.14398	2.1
211.14871	2.3
213.12726	11.3
215.14285	4.1
227.14333	8.9
231.13768	4.5
241.15883	2.4
245.15443	2.9
263.16357	4.7
275.16318	4.5
299.23773	9.9
315.19553	9.7
317.21115	4.7
329.20929	2.1
345.24222	2.1
357.24344	2.8
423.32294	2.4
431.25143	2.6
441.33685	46.9
459.34668	11.3
501.35797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57952	1.0
53.03919	1.1
55.01864	1.4
55.05315	1.1
55.05524	16.3
57.03454	12.2
57.07082	20.0
57.20647	1.5
62.42618	1.2
65.84914	1.1
65.85303	1.4
67.05512	20.8
69.07073	32.8
71.08633	13.8
78.26471	1.3
79.05490	6.9
81.07067	40.7
83.08627	26.7
84.79503	1.5
85.06525	2.3
85.10218	9.3
85.10645	1.5
87.57654	1.2
91.05498	1.7
92.21471	1.5
93.07038	13.4
93.27721	1.2
95.08605	41.9
97.06525	9.1
97.10172	30.4
99.08086	1.5
100.38558	1.3
105.06985	1.6
107.08601	14.6
109.10174	20.7
111.08047	6.9
111.11716	7.7
121.10158	25.7
122.67863	1.4
123.11703	6.3
125.09650	7.4
125.13269	1.5
131.08542	2.0
135.11708	18.1
137.13268	1.8
139.11179	3.3
149.13248	10.6
163.14774	2.9
191.17833	1.3
195.17313	1.4
213.04436	1.3
228.15952	1.6
235.55429	1.2
236.14857	10.5
237.15170	2.7
289.28699	1.6
317.28128	1.4
371.31619	24.1
409.33063	18.0
427.34369	18.8
483.36807	12.5
501.37839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38465	0.8
53.00296	0.8
55.05523	10.4
57.03442	7.5
57.06815	1.1
57.07085	12.2
58.06605	13.2
59.06925	0.9
59.07384	3.3
60.08165	4.4
62.68456	0.8
67.05515	14.6
69.07076	19.9
71.08635	10.9
75.04485	1.8
79.05503	4.1
81.07063	19.4
83.04996	1.6
83.08623	19.4
85.02913	1.0
85.10176	4.5
87.04485	1.0
91.05495	0.9
93.07057	6.5
95.08610	23.2
97.06540	5.1
97.10165	14.1
105.05496	1.0
105.07114	0.9
107.08603	9.1
109.10149	11.9
111.08091	2.0
111.11734	3.7
116.79948	1.0
121.10138	12.3
123.11729	4.5
125.09650	3.5
135.11690	10.0
137.13240	1.1
139.11169	1.8
144.10175	6.9
147.11748	1.0
149.13297	3.8
163.14886	1.8
166.16177	0.8
228.15875	1.0
236.14923	53.0
237.15240	28.7
335.29343	1.9
371.31662	11.6
409.33401	8.9
427.34222	12.7
483.38159	9.7
501.38879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04581	1.0
55.05523	1.3
57.03451	1.1
57.07109	0.9
58.06598	1.2
61.02930	1.9
63.74723	0.9
67.05517	4.4
69.03451	1.7
69.07054	1.3
70.77557	1.0
79.05515	1.9
81.07077	4.3
83.08611	1.5
85.02908	2.2
88.67622	1.1
91.03955	1.3
93.07060	1.9
94.25335	1.2
95.08624	4.2
97.02907	2.1
103.21210	1.2
107.08633	2.6
109.10180	4.1
119.08611	1.2
121.10136	1.8
124.71896	1.1
127.03951	1.2
131.08595	1.2
133.10237	1.1
236.14967	10.0
237.15355	5.3
264.50327	1.1
335.00125	1.1
339.28925	2.1
501.39410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09338	0.7
53.61077	0.6
55.05510	1.7
55.60738	0.7
57.07089	1.5
62.27803	0.7
62.41439	0.7
67.05505	6.0
69.07059	7.2
71.08601	0.8
71.85451	0.7
74.98644	0.8
75.06819	0.8
79.05469	1.6
81.07059	8.1
82.72398	0.6
83.08633	9.9
85.06557	1.7
88.07623	1.6
91.05415	1.0
93.07043	6.7
95.08627	5.7
97.06525	4.6
97.10158	1.9
100.07649	1.9
107.08600	6.4
109.10178	1.7
111.08073	4.0
114.09174	3.4
118.08698	1.3
119.08575	1.0
121.10138	5.2
123.76746	0.7
124.11296	0.8
125.09635	1.0
125.13242	0.8
128.10683	1.0
133.10135	0.9
135.11728	1.7
147.11713	0.8
149.13245	19.8
159.11728	3.8
166.15906	26.3
167.14267	8.4
184.16975	3.3
194.12538	0.9
194.15448	2.0
195.13814	1.0
212.16461	28.5
213.14819	2.0
231.46930	0.8
238.18015	19.5
239.16409	6.6
239.18504	0.8
242.24762	1.7
248.88310	0.8
256.19055	88.0
270.49243	0.9
298.24780	0.8
323.43005	0.8
413.48663	1.0
445.46573	0.8
501.36508	3.8
501.42618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.1
57.03440	0.8
57.07082	1.2
62.06076	0.9
63.91687	0.7
65.04340	0.7
67.05521	6.1
69.07069	7.2
71.04996	1.2
71.08623	0.9
72.08139	0.8
77.32780	0.8
79.05502	1.4
80.65781	0.7
81.07074	10.3
83.08623	9.7
85.06566	1.2
88.07620	1.1
91.05463	0.9
91.44205	0.8
93.07059	7.5
95.08610	6.7
97.06541	3.5
97.10162	1.7
99.04449	1.3
100.07631	3.6
104.69335	0.9
107.08597	6.8
109.02866	1.4
109.10162	4.5
111.08084	3.6
114.09195	1.1
121.10136	3.4
123.81460	1.0
128.10701	1.0
133.10092	1.0
135.11748	1.6
139.36414	0.8
141.58591	0.8
147.11797	1.1
149.13269	26.3
159.11723	4.0
166.15901	24.6
167.14317	7.0
177.12886	1.2
184.17001	5.7
194.15385	1.5
197.92975	1.0
212.16469	31.3
213.14824	1.4
224.12718	1.0
238.18016	18.6
238.20207	1.0
239.16417	6.8
242.24785	1.1
256.19077	72.1
272.58459	0.8
350.55908	0.9
367.70886	0.8
501.36011	5.0
501.42624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71092	0.7
52.76126	0.6
55.05517	3.5
56.35246	0.7
57.03431	0.8
57.07076	1.4
58.06604	0.6
61.02937	1.0
62.06083	1.0
63.13334	0.6
67.05508	6.5
69.07069	8.2
72.08157	0.6
73.02926	0.8
79.05507	1.3
80.75639	0.7
81.07056	6.5
83.08623	11.4
85.02959	0.7
85.06537	1.2
86.06047	0.6
88.07607	1.2
89.19415	0.8
91.05471	0.9
93.07045	7.4
95.08613	5.2
97.02855	1.1
97.06518	3.2
97.10153	3.0
99.04446	1.0
100.07594	1.4
104.07067	0.9
107.08572	6.4
109.10152	3.1
110.09713	1.5
111.08080	1.7
111.73043	0.8
114.09171	1.6
115.32616	0.6
121.10146	4.7
123.11735	0.8
128.10745	0.9
131.08560	1.2
133.10120	1.3
133.24704	0.7
133.40956	0.7
135.11699	1.8
149.13242	22.0
159.11661	3.6
166.15909	24.7
167.14276	7.6
171.28259	0.7
177.12776	1.3
184.16977	3.5
194.15466	1.5
206.85635	0.8
212.16443	32.0
213.14839	1.6
238.17993	20.2
239.16434	6.7
242.24780	1.8
256.19046	73.4
265.25244	0.9
339.28754	0.9
501.34949	4.4
501.42578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.0
57.03432	4.0
57.07073	2.3
61.02935	7.6
64.14863	0.8
67.05505	9.7
69.03426	1.8
69.07075	13.7
71.04995	1.9
71.08640	1.7
72.97830	0.8
73.02907	4.8
79.05481	3.9
79.75726	0.8
81.03416	4.7
81.07068	13.2
83.04966	1.2
83.08623	16.1
85.02901	7.5
85.06526	1.6
85.10162	1.1
86.09716	2.4
88.07651	1.0
91.03947	4.2
92.20926	1.2
93.07050	10.6
93.59659	0.8
95.08598	9.4
97.02880	5.9
97.06540	4.4
97.10172	8.2
99.04425	2.0
99.08133	1.5
99.86937	1.0
100.07586	2.1
103.03881	1.1
105.07010	1.1
107.08600	10.2
109.02875	1.0
109.10147	8.4
111.08083	6.1
114.09166	2.1
121.10152	8.0
123.11746	1.9
125.09609	1.6
127.03960	1.1
133.10095	1.2
135.11691	4.9
145.04994	1.4
148.34383	1.0
149.13245	26.7
159.11673	1.9
166.15894	28.2
166.47188	1.1
167.14310	8.9
176.14377	1.0
183.55792	1.0
184.17007	5.5
194.15286	1.4
212.16449	33.3
213.14832	2.1
238.18025	21.9
239.16429	7.2
240.76970	1.1
242.24768	4.8
247.52946	1.1
256.19067	80.4
265.25174	1.4
339.28928	9.2
340.95514	1.2
483.32785	2.0
501.34583	15.1
501.42526	100.0
504.10675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
57.07075	1.3
57.57100	0.7
58.06630	0.9
60.04484	0.8
62.06089	1.4
67.05508	4.8
69.07063	6.4
70.06592	1.2
71.04999	0.9
79.05502	1.0
81.07048	5.6
83.08631	8.9
86.06062	1.2
88.07603	1.0
93.07026	5.9
95.08606	1.8
97.06547	4.1
97.10158	1.1
100.07591	1.4
107.08601	5.0
109.10143	3.0
111.08084	4.5
113.40882	0.7
114.09177	1.7
115.01791	0.8
121.10148	2.7
124.11246	1.2
149.13255	22.8
149.14465	0.9
159.11722	3.2
166.15913	25.4
167.14291	9.0
184.16983	5.3
194.15416	1.4
202.37912	0.7
212.16437	33.4
213.14719	1.2
231.27309	0.8
238.18004	24.5
239.16376	7.0
242.24770	1.3
256.19046	77.6
363.28955	0.8
365.05099	0.9
434.12106	0.8
445.98120	0.8
501.42624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.6
56.82642	0.7
57.07088	1.1
58.06598	1.2
59.91009	0.7
62.06072	1.0
62.07182	0.7
67.05513	4.4
69.07073	6.4
70.06614	0.8
70.60757	0.8
71.08639	1.1
81.07062	6.6
83.08624	10.7
86.06110	1.0
88.07664	1.4
93.07064	4.5
95.08636	3.1
97.06549	3.2
97.10163	1.0
100.07631	1.8
100.45133	0.8
104.07115	1.2
107.08621	4.6
109.10167	1.6
110.09743	0.9
111.08128	3.8
114.09176	1.1
121.10144	1.2
125.09649	0.9
125.13288	1.1
128.10696	1.1
149.13261	22.4
159.11736	1.7
166.15909	24.6
167.14328	7.2
177.12729	1.3
184.17010	4.6
194.15489	3.1
195.13913	0.9
212.16452	29.0
212.18475	1.2
213.14894	3.5
229.05756	0.8
236.15041	1.1
237.15269	1.2
238.15527	2.7
238.17960	20.7
239.16460	6.6
242.24837	3.1
245.11707	0.8
256.19055	78.6
295.13165	0.8
333.53894	0.9
471.85031	0.8
501.42786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45329	1.0
70.16584	1.1
72.66765	1.1
75.74075	1.1
178.23271	1.4
190.05081	1.9
278.08075	7.6
282.48849	1.2
290.08017	2.3
291.08887	1.9
294.11246	2.9
297.58023	1.2
305.07062	2.5
306.07562	41.9
307.08423	2.2
318.07590	2.1
319.08527	5.2
320.05685	2.1
320.09079	14.1
321.09781	8.5
322.07269	1.8
322.10739	7.5
323.11389	6.2
325.09488	1.5
332.09113	2.0
334.07095	100.0
334.10767	12.0
336.05032	1.5
336.08548	5.6
336.12274	9.2
337.09277	4.8
338.10233	1.6
338.13977	2.5
349.09448	56.9
350.10046	7.0
364.08081	7.3
364.12024	3.0
397.24234	1.3
407.25592	1.4
458.12262	2.0
472.09637	12.6
486.15997	2.0
487.12799	1.8
502.11404	38.9
502.17920	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22870	1.1
66.60606	1.2
73.52728	1.5
89.05785	1.5
92.56773	1.4
94.73617	1.4
97.98107	1.4
119.48228	1.4
120.53468	1.5
123.04414	1.6
135.04358	2.3
143.79382	1.4
147.04459	1.6
149.05988	7.0
176.07045	7.5
207.06435	2.2
223.66748	1.6
225.05457	1.6
267.90427	1.7
281.04684	2.8
290.08096	6.8
294.11218	21.2
299.05438	2.3
304.05936	8.4
306.07632	2.4
307.08368	45.4
307.11942	1.9
308.09317	1.8
310.07251	1.8
318.07632	13.8
319.08392	44.4
320.05902	1.8
320.08981	11.8
322.07010	3.3
322.10629	5.9
323.11523	2.1
325.09274	7.0
333.93515	1.5
334.10712	100.0
335.07675	3.0
335.11243	2.9
336.08524	2.4
336.12216	9.4
340.11804	8.5
345.06174	6.7
346.07050	8.0
352.15387	2.3
364.08246	3.5
374.06540	6.8
383.08826	2.8
386.81345	1.6
392.07510	8.5
410.10275	1.8
414.07214	14.0
426.09720	6.8
428.11072	5.4
438.09604	2.5
440.11188	2.1
456.10733	10.4
470.12067	2.2
484.10397	18.9
502.11505	64.1
502.19003	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89043	0.4
61.91300	0.4
64.51122	0.4
70.06579	0.9
84.08135	0.6
85.02913	0.8
86.09711	0.7
98.94904	0.5
107.53635	0.5
135.80185	0.5
137.06035	0.5
163.93004	0.5
172.98888	0.5
221.39265	0.5
239.70955	0.5
240.06511	0.5
254.08130	0.7
292.09607	0.8
294.07657	3.5
295.07956	0.6
296.09259	5.0
297.09845	0.9
308.09070	2.6
322.10779	1.1
324.08649	2.5
325.09457	0.7
334.10602	1.2
336.08615	1.0
338.10394	0.5
340.08191	4.8
340.11737	1.2
342.09668	0.7
348.12421	0.6
350.10132	4.7
362.10272	1.2
366.09634	1.0
368.11316	2.7
382.12903	0.6
392.11371	0.6
394.13123	0.7
410.12567	0.6
412.10001	4.5
412.14951	0.7
422.12308	2.7
438.11823	0.9
440.13406	6.8
456.12625	0.7
458.14838	3.6
484.12421	12.2
493.16434	0.6
502.13364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32225	0.5
58.06596	2.8
81.38136	0.6
93.22827	0.7
116.97024	0.6
121.06502	0.8
129.65086	0.7
139.12733	0.6
237.94093	0.6
287.78168	0.7
306.07614	0.7
319.08438	1.3
320.09146	3.9
321.09808	5.1
322.10303	4.4
334.07147	2.0
334.10727	4.3
336.12308	7.9
338.13339	0.8
350.88382	0.7
385.13153	1.3
398.10062	2.6
426.09686	1.2
441.11942	2.9
444.10703	4.0
456.10788	2.7
457.11823	1.1
458.12317	6.9
470.11923	1.3
471.09167	2.6
472.10245	7.2
486.11810	29.3
487.12646	39.9
502.14844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56581	0.2
55.57928	0.2
97.51985	0.2
183.32185	0.2
183.75757	0.2
204.17896	0.2
218.50894	0.2
276.06686	0.2
279.05356	0.3
294.07590	21.3
307.08585	0.4
310.06726	0.2
320.09021	1.6
322.07095	100.0
323.08102	0.2
325.09375	0.3
334.10696	1.0
335.11267	0.2
336.12296	1.2
406.10715	0.4
434.10120	0.3
442.13391	0.3
452.11118	1.0
466.12833	0.3
472.08768	0.3
472.14127	3.9
484.14114	2.6
487.66357	0.3
502.14655	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1499
Annotation	Oxohernandaline
Peak:m/z	Relative Intensity
50.05526	0.6
51.88651	0.6
58.94399	0.8
74.51942	0.8
77.12970	0.7
79.37001	0.7
83.12332	0.7
91.82869	0.8
113.21997	0.7
120.94759	0.7
125.61861	0.8
127.39041	0.7
144.87006	0.9
173.04651	1.1
174.05556	3.4
187.06314	1.1
188.03450	4.8
190.04840	0.9
273.24741	0.8
290.08209	3.7
294.11105	3.4
299.09012	1.4
302.08133	5.9
304.06024	1.6
306.07663	1.0
307.79327	0.8
308.09000	1.1
318.07526	5.6
319.08456	9.1
320.05679	1.5
320.09167	17.4
322.10715	3.3
325.09402	1.4
332.09103	0.9
334.06973	1.6
334.10709	21.0
335.11478	7.3
336.08621	1.2
336.12387	4.0
340.11893	0.9
386.10321	1.8
412.07867	1.1
416.11243	3.0
426.09662	2.9
428.11456	1.2
440.11218	3.7
441.08249	1.4
442.08386	1.0
444.10913	6.1
450.09958	0.8
452.11371	1.2
454.09088	4.7
456.10663	4.0
458.12347	3.4
470.12265	1.7
472.10272	10.0
474.15338	1.4
486.11804	9.0
502.14896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36763	0.6
67.10037	0.7
74.55351	0.6
75.91699	0.6
118.25259	0.8
173.04752	3.9
174.05530	0.9
188.03429	4.7
284.98657	0.7
299.09152	1.8
302.08163	5.1
305.06897	1.2
318.07611	5.1
319.08347	6.2
320.09195	15.4
329.10181	1.0
334.07175	1.8
334.10736	15.6
335.11493	8.2
349.09549	0.9
416.11319	4.1
426.09583	3.4
428.11316	1.2
438.09808	1.8
440.11356	3.8
441.07858	1.1
444.10782	6.2
454.09216	5.3
456.10757	3.8
457.12045	0.9
458.12442	4.5
468.10968	1.2
470.12390	4.4
472.10184	10.4
474.15485	1.6
486.11896	11.5
487.12531	1.0
502.14960	100.0
517.52161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96254	0.6
68.46022	0.6
70.88199	0.7
77.63947	0.6
95.07958	0.7
109.44934	0.7
113.81577	0.7
161.67581	0.7
227.31184	0.7
262.70416	0.8
282.12369	0.8
320.09186	3.0
321.09839	2.6
322.10623	1.0
334.07230	2.0
334.10858	2.9
336.12378	5.6
338.13773	0.8
385.13113	1.4
398.10223	2.6
426.09735	1.5
441.12003	3.3
443.09897	0.8
444.10727	4.5
457.11444	1.5
458.12088	4.8
459.13013	1.0
471.09369	3.3
472.10208	5.4
486.11786	31.9
487.12613	49.1
502.14899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1497
Annotation	Oxohernandaline
Peak:m/z	Relative Intensity
57.96254	0.6
68.46022	0.6
70.88199	0.7
77.63947	0.6
95.07958	0.7
109.44934	0.7
113.81577	0.7
161.67581	0.7
227.31184	0.7
262.70416	0.8
282.12369	0.8
320.09186	3.0
321.09839	2.6
322.10623	1.0
334.07230	2.0
334.10858	2.9
336.12378	5.6
338.13773	0.8
385.13113	1.4
398.10223	2.6
426.09735	1.5
441.12003	3.3
443.09897	0.8
444.10727	4.5
457.11444	1.5
458.12088	4.8
459.13013	1.0
471.09369	3.3
472.10208	5.4
486.11786	31.9
487.12613	49.1
502.14899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
61.02930	0.6
63.32145	0.4
69.03420	2.2
71.33493	0.4
81.03411	0.6
85.02906	6.1
96.00365	0.4
97.02879	2.3
99.04431	0.4
109.02842	0.6
114.09135	0.9
165.47113	0.4
166.99152	0.4
181.23949	0.5
246.17216	0.4
278.07870	0.6
279.08743	0.8
291.08795	0.5
294.07916	0.7
294.11218	16.8
296.08966	0.9
308.09238	0.5
318.07767	0.8
319.08289	2.7
320.09048	2.6
320.12619	0.7
322.10712	12.3
323.11505	1.0
324.08624	8.5
325.09442	6.5
334.10721	6.2
336.12296	4.5
340.11771	100.0
422.57745	0.4
428.11115	0.7
454.13104	0.6
458.10983	0.7
458.15906	2.8
472.13803	2.9
474.16599	0.5
486.15750	3.1
487.16190	2.3
502.18970	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95658	0.4
62.30006	0.5
64.63481	0.4
76.70407	0.4
82.10603	0.4
92.21635	0.6
106.95194	0.5
114.09109	0.8
138.74393	0.5
220.98570	0.5
228.16331	0.5
278.08066	2.8
306.07635	4.6
310.07114	4.2
319.08630	0.7
320.09149	3.9
321.09387	3.8
322.09735	5.1
325.09418	46.9
334.10754	2.3
338.10327	0.8
340.11786	100.0
457.54507	0.6
502.17050	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51180	0.4
53.25199	0.5
55.24669	0.5
94.95956	0.6
112.02549	0.6
113.37158	0.7
133.44073	0.6
147.04449	0.8
176.37027	0.6
207.06654	0.8
296.09113	5.3
307.08405	1.5
308.09018	1.0
310.07065	26.7
324.08685	1.4
325.09436	100.0
336.12262	4.9
340.08301	3.0
340.11789	82.2
348.21597	0.9
502.17096	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22884	0.2
52.85524	0.3
68.04408	0.3
71.30101	0.3
94.02953	0.4
111.27110	0.4
117.13220	0.3
141.63174	0.3
243.11986	0.3
259.39691	0.3
282.07855	0.5
296.09155	4.3
307.08536	1.7
308.09283	0.6
310.07080	30.3
324.08667	1.5
325.09427	100.0
339.11267	0.4
340.11783	88.9
438.93607	0.4
502.17053	88.5
523.41296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05617	1.0
149.79996	1.2
183.97578	1.2
188.89543	1.1
243.41000	1.3
296.09219	2.4
304.06143	1.1
307.08682	1.3
310.07080	26.0
319.08496	2.6
320.08966	8.0
321.09744	5.5
322.10233	5.7
325.09460	100.0
326.12988	1.7
334.10696	8.6
335.11093	8.5
336.12292	16.1
340.11804	73.4
363.00031	1.2
443.10016	1.3
468.25540	1.1
471.79996	1.2
502.17172	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17175	0.5
81.77662	0.6
84.94687	0.7
85.77405	0.7
86.61490	0.6
92.20978	0.9
102.69562	0.6
129.31712	0.7
204.18507	0.6
225.11978	0.6
296.09067	4.4
307.08554	4.9
308.09094	1.3
310.07053	28.0
319.08188	0.8
322.10733	22.4
324.08597	1.2
325.09418	100.0
334.10718	2.4
340.11768	77.5
451.42474	0.7
502.17068	78.1
507.63345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66253	0.3
58.06591	0.3
59.10175	0.3
62.44202	0.2
99.04385	0.3
105.07022	2.1
122.09612	1.8
127.03944	0.3
132.36398	0.3
149.68715	0.3
164.07018	0.4
254.08090	0.6
294.07620	1.1
307.08469	2.4
308.09180	1.8
310.10730	1.2
312.12344	1.3
322.10693	2.8
325.09406	3.5
340.11780	100.0
387.83881	0.3
425.74124	0.3
502.17093	40.7
518.02423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66253	0.3
58.06591	0.3
59.10175	0.3
62.44202	0.2
99.04385	0.3
105.07022	2.1
122.09612	1.8
127.03944	0.3
132.36398	0.3
149.68715	0.3
164.07018	0.4
254.08090	0.6
294.07620	1.1
307.08469	2.4
308.09180	1.8
310.10730	1.2
312.12344	1.3
322.10693	2.8
325.09406	3.5
340.11780	100.0
387.83881	0.3
425.74124	0.3
502.17093	40.7
518.02423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35668	0.4
52.82808	0.5
60.50574	0.5
60.92546	0.6
61.25110	0.5
65.94659	0.5
199.86981	0.6
223.67334	0.6
250.08691	3.4
278.08200	3.9
279.08960	11.2
294.11227	85.3
306.07599	0.7
308.09216	1.4
308.12811	0.9
322.10660	9.1
323.11453	2.4
340.11917	1.1
440.14938	0.8
452.14966	1.1
454.12930	2.9
456.14197	0.8
456.24759	0.7
458.15942	9.9
468.14539	2.8
469.15125	1.1
470.15771	4.1
472.13892	8.2
486.15436	14.8
487.16245	10.2
502.18613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60604	1.0
52.89268	0.8
53.23868	0.8
54.76222	0.9
56.85410	0.9
66.71606	0.9
72.09010	0.9
92.20893	1.2
99.32446	1.1
106.08706	1.1
208.01759	1.0
278.08255	2.4
279.09067	5.9
294.11234	83.2
307.08408	4.3
310.07230	3.8
319.08423	5.3
320.09137	3.8
321.09836	1.2
322.10739	59.2
323.11804	4.5
325.09381	12.0
334.10556	7.7
336.12302	9.5
340.11789	11.1
380.78058	1.3
457.92804	1.2
458.16241	4.6
468.14993	1.1
470.16348	1.3
472.13910	2.3
486.15479	10.2
487.16296	5.8
502.18674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74544	0.7
57.46148	0.7
57.58345	0.7
63.51944	0.6
68.47295	0.7
78.33892	0.7
277.06738	1.0
280.83295	1.0
303.35910	0.8
343.12326	0.8
345.09918	1.6
346.10880	3.2
371.07620	0.9
372.08713	13.3
374.10233	72.1
375.11221	1.1
385.09610	0.9
386.10364	3.6
388.07748	1.6
388.12296	1.6
389.12573	9.7
390.13425	3.6
399.11166	1.8
402.09671	30.2
403.10397	8.2
416.11450	4.1
417.12189	3.4
418.12915	15.5
430.12885	4.5
458.15903	1.1
461.24866	0.9
474.19510	1.6
502.18677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25905	0.5
55.31396	0.5
65.67207	0.5
73.62349	0.6
80.23013	0.6
155.65248	0.6
170.51936	0.7
189.51759	0.8
250.08656	4.3
278.08231	3.4
279.08853	10.1
294.11218	86.4
295.15787	0.7
307.08417	1.0
319.08313	0.9
322.10715	34.3
323.11450	3.0
334.10773	3.0
376.87207	0.6
454.12823	1.5
456.14609	1.0
458.15860	9.4
468.14337	2.6
470.15933	2.5
472.13831	7.2
484.17068	1.1
486.15613	12.5
487.16113	8.5
502.18570	100.0
523.26294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56188	0.5
51.37943	0.6
54.81065	0.6
69.06625	0.6
74.37320	0.6
92.21574	1.3
112.67852	0.7
113.04982	0.6
168.81331	0.8
168.83258	0.7
215.02240	0.7
218.62746	0.7
250.08708	0.7
278.08093	3.7
279.08917	5.8
292.09305	0.8
294.07944	2.9
294.11237	62.7
306.07693	5.4
307.08279	3.0
308.08740	0.8
315.23093	0.7
319.08377	3.8
320.09323	4.9
320.12729	1.1
321.09229	1.1
322.07581	2.4
322.10724	56.5
323.11487	5.3
324.12354	1.1
334.10666	9.0
336.12265	1.4
337.13217	1.2
340.11795	1.3
412.06989	0.8
440.14798	1.2
454.12885	1.3
458.16232	7.6
468.14331	3.7
469.14758	0.9
470.16064	1.0
472.14359	5.9
484.10165	1.0
484.17340	2.7
486.15701	10.6
487.16437	7.7
502.18982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98833	1.5
58.06588	1.6
61.61804	1.6
77.70097	1.7
86.06061	3.6
137.16440	2.1
198.82895	2.1
199.18166	2.2
202.87361	1.8
272.06055	2.0
320.09222	7.7
343.23788	2.0
370.07001	25.5
381.09827	2.7
389.12741	3.1
391.08621	2.6
408.08578	2.8
412.08041	10.8
440.14993	16.4
454.12860	12.9
468.14163	21.2
469.15378	17.6
484.17560	100.0
485.37021	2.6
502.11270	3.2
502.18451	58.1
502.39371	8.1
524.63147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60529	0.2
56.24113	0.2
68.44240	0.2
72.08086	0.2
88.01229	0.2
105.07011	0.3
109.10033	0.3
121.10101	0.4
214.69304	0.3
225.87959	0.3
236.06949	0.3
250.08617	3.3
264.06473	0.4
278.08121	3.9
279.08871	10.2
290.07928	0.5
291.90305	0.3
292.09622	0.6
294.11230	87.3
304.06146	0.4
304.09619	0.5
306.07660	0.6
307.08615	2.1
307.11752	0.4
308.08920	0.5
318.07687	0.5
319.08347	3.2
320.09134	3.4
321.09598	4.3
322.10522	11.4
323.11520	2.8
334.10742	7.9
336.12244	4.0
337.12836	0.7
338.13464	0.6
404.14963	0.4
405.43863	0.3
426.13654	1.1
428.14417	0.4
440.14902	0.6
441.15054	0.5
442.13101	0.5
444.14496	0.4
452.15094	0.5
454.12912	3.0
457.15509	0.4
458.16046	12.8
468.14447	2.1
469.15103	1.5
470.16034	3.8
472.13828	9.4
486.15472	17.0
487.16348	10.4
502.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37794	0.7
63.69892	0.7
71.17210	0.8
81.86739	0.9
100.62518	0.8
108.75266	0.9
109.44725	0.8
148.73834	0.9
158.02266	0.9
250.08673	1.6
265.07434	1.1
278.08130	1.4
279.08817	7.5
292.09726	1.1
294.08261	1.8
294.11227	44.0
307.08463	1.2
307.12067	1.1
308.09161	1.5
319.08371	4.2
320.09216	10.7
321.09653	5.2
322.10568	13.2
323.11490	5.0
325.09390	5.3
334.10706	6.8
336.12189	4.4
340.08191	2.0
340.11731	4.7
440.14911	2.0
454.12640	4.8
456.10892	3.0
458.16061	15.0
468.14722	6.4
469.15152	4.0
470.11221	1.3
470.16571	1.1
472.13824	12.4
484.17374	1.3
486.15521	19.3
487.16364	9.4
502.19135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
107.72208	0.5
192.17516	0.6
241.12970	0.6
250.08621	2.9
273.37189	0.5
278.08185	2.3
279.08810	8.1
287.23520	0.6
291.08759	0.6
292.09802	2.3
294.11224	51.8
306.07797	0.9
307.08377	3.3
307.11871	0.8
308.09229	1.1
308.12671	1.2
318.07672	0.9
319.08228	2.7
320.09149	7.4
321.09650	3.3
322.10559	12.8
323.11353	4.7
324.12326	0.8
325.09256	0.9
334.10791	4.8
336.08661	0.7
336.12283	9.6
337.12872	0.7
348.08710	1.0
426.13309	0.8
432.21512	0.6
440.14960	3.6
441.15735	0.7
454.13144	4.1
456.14929	1.0
458.16266	14.1
468.14426	5.3
469.15396	3.9
470.16293	3.9
472.13776	10.4
484.17413	2.4
486.15802	23.2
487.16968	11.2
502.19064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43108	0.7
62.18101	0.7
73.37328	0.7
86.49045	0.6
111.04016	0.6
127.15731	0.8
127.65408	0.7
148.76350	0.8
278.08078	1.4
279.08920	1.5
292.09543	1.0
294.11240	82.3
304.09482	1.1
306.07596	0.9
307.08603	0.9
308.09177	1.1
310.07227	1.3
318.07693	0.8
320.09137	7.1
320.12796	9.3
321.09921	4.7
322.10733	100.0
323.11557	9.3
325.09433	7.3
334.10651	2.7
336.12317	20.2
340.08127	1.5
340.11746	4.9
458.15973	1.3
459.13065	0.9
472.09641	2.2
484.17618	3.1
487.16434	0.9
502.18896	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
54.38646	0.6
55.01874	5.1
58.06606	2.6
69.03423	5.0
70.06600	3.5
73.02927	1.2
81.03416	5.4
85.02903	5.1
92.21069	0.6
97.02908	5.3
99.04464	14.0
109.02881	11.9
119.04939	3.0
121.06477	0.9
127.03909	7.4
135.04503	0.8
145.04916	0.7
147.04395	6.5
175.03899	28.0
177.05388	1.5
192.04179	0.9
193.04887	0.8
194.24963	0.7
199.05986	7.5
204.20741	0.9
207.06522	100.0
208.06863	1.3
217.07056	9.4
225.07574	6.5
233.07997	0.9
252.68999	0.7
305.10123	8.2
323.11298	3.5
340.08105	8.4
340.11575	1.0
343.71436	0.6
369.11710	6.4
427.98318	0.7
449.14423	1.5
467.15472	8.9
496.85660	0.8
502.20038	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26575	0.5
76.82648	0.5
89.21156	0.5
132.82735	0.5
190.05013	1.9
195.00340	2.6
207.96762	0.5
217.93456	0.6
252.34889	0.5
320.09180	2.4
335.11356	0.8
376.12912	0.5
389.12973	0.6
399.14700	4.3
402.13278	6.2
412.15802	0.7
416.14813	5.1
417.15753	1.9
430.12723	9.9
444.13754	12.8
455.96112	0.7
456.18130	1.0
458.19818	5.7
468.18375	0.9
472.17532	3.4
474.22742	2.2
486.19086	16.7
487.19913	2.4
502.22208	100.0
502.28000	3.8
502.38425	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22350	0.3
65.79391	0.3
81.85668	0.3
93.07126	0.4
93.56728	0.4
97.55197	0.4
98.52019	0.3
112.05136	0.6
126.99339	0.4
132.61922	0.4
165.52196	0.4
179.78572	0.4
219.39357	0.4
316.09671	0.9
319.08389	0.7
320.09067	5.3
332.09656	0.7
336.12231	0.9
344.09195	0.6
344.13028	0.5
372.12378	3.4
396.89313	0.5
463.92386	0.4
472.21149	4.7
474.22708	4.0
502.22235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60873	0.6
70.89804	0.6
100.31954	0.6
115.44932	0.6
120.25070	0.6
171.78152	0.6
177.05466	0.7
194.99445	0.7
205.91994	0.7
290.08069	3.6
292.09723	1.1
294.11227	5.0
304.06058	2.8
307.08337	1.0
308.09393	1.3
308.12769	13.5
310.07147	1.1
313.61298	0.6
318.07593	4.3
319.08380	15.8
320.09103	3.0
320.12875	2.7
321.09744	1.4
322.07434	1.0
322.10742	7.6
323.11505	0.7
325.09406	5.8
334.10699	40.3
335.11035	1.2
336.08676	1.0
336.12234	23.3
337.13055	32.1
338.13998	0.8
340.11804	5.2
352.15414	100.0
386.13779	0.9
399.14139	0.6
444.14291	0.9
458.15891	4.1
472.13669	3.8
486.16113	5.4
487.16559	2.5
502.18033	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71873	0.2
51.31854	0.3
58.18908	0.2
61.81205	0.3
70.46436	0.3
71.50868	0.3
83.04964	0.4
87.93494	0.3
88.53740	0.3
89.73708	0.3
91.05502	0.4
92.21497	0.4
95.08595	0.5
107.08614	0.3
121.50459	0.3
136.11842	0.3
142.78528	0.3
182.53064	0.3
229.19452	0.4
257.42352	0.3
275.19998	0.3
287.23877	0.4
307.11975	0.4
308.12784	13.8
319.08212	0.5
320.09204	1.2
320.12839	2.6
322.10721	6.2
323.11661	0.3
334.10794	1.5
335.11023	0.7
336.12274	19.7
337.08789	0.4
337.13055	28.1
352.15430	100.0
502.16782	1.6
502.23553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60873	0.6
70.89804	0.6
100.31954	0.6
115.44932	0.6
120.25070	0.6
171.78152	0.6
177.05466	0.7
194.99445	0.7
205.91994	0.7
290.08069	3.6
292.09723	1.1
294.11227	5.0
304.06058	2.8
307.08337	1.0
308.09393	1.3
308.12769	13.5
310.07147	1.1
313.61298	0.6
318.07593	4.3
319.08380	15.8
320.09103	3.0
320.12875	2.7
321.09744	1.4
322.07434	1.0
322.10742	7.6
323.11505	0.7
325.09406	5.8
334.10699	40.3
335.11035	1.2
336.08676	1.0
336.12234	23.3
337.13055	32.1
338.13998	0.8
340.11804	5.2
352.15414	100.0
386.13779	0.9
399.14139	0.6
444.14291	0.9
458.15891	4.1
472.13669	3.8
486.16113	5.4
487.16559	2.5
502.18033	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78156	0.4
55.52761	0.4
58.31068	0.4
141.28374	0.4
226.39792	0.5
261.91864	0.5
290.08038	7.6
294.11197	2.6
302.08139	1.0
304.06018	6.8
307.08472	2.6
308.09174	2.0
318.07620	8.2
319.08395	37.7
320.09149	4.9
321.09732	1.0
322.10446	2.0
323.11380	0.6
325.09460	2.7
334.10724	100.0
336.08618	1.6
336.12244	6.0
337.13107	2.5
340.11557	1.0
351.10901	0.5
352.15479	6.5
392.07553	0.8
411.08276	0.7
414.07654	0.5
456.10590	0.9
470.11569	0.7
472.09592	0.6
484.10098	3.2
486.15457	1.1
502.11783	3.0
502.16058	2.8
502.21912	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2925
Annotation	beta-Aflatrem
Peak:m/z	Relative Intensity
50.42065	3.6
50.53229	3.7
55.05494	6.3
56.86241	4.7
61.92279	4.9
62.06091	56.8
67.05505	38.2
73.10048	4.1
78.09747	4.4
79.05486	26.1
80.25381	4.9
81.07063	48.6
86.09697	57.5
91.05472	30.4
93.07032	20.9
95.08608	32.4
97.06533	6.4
98.98475	11.4
105.07017	23.4
107.08558	9.9
117.06973	7.1
119.08572	29.7
121.10148	5.0
123.11662	5.0
124.99977	12.0
129.05515	6.0
131.08502	5.7
133.10078	10.4
133.80209	5.1
145.10161	8.6
163.01563	21.3
184.07349	6.4
216.06340	8.7
330.27783	6.8
346.04535	6.4
361.27261	100.0
474.02518	4.7
484.28186	51.7
502.28894	46.4
502.33047	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2929
Annotation	LysoPE(20:4)
Peak:m/z	Relative Intensity
55.05513	13.4
57.03467	2.6
59.87687	2.7
67.05511	31.6
69.07077	13.2
71.07375	11.5
79.05489	25.4
81.07069	29.4
82.52505	2.5
83.08594	3.0
85.31651	2.8
86.09705	82.5
88.32478	2.6
91.05480	26.5
93.07064	22.0
95.08604	26.8
97.63764	2.9
105.07041	16.7
107.08580	19.2
109.10162	16.1
110.50727	2.5
117.07048	3.8
119.08600	12.5
121.10151	3.6
125.00001	24.2
129.05498	6.2
131.08540	4.2
131.78520	2.6
133.10123	13.1
135.11729	3.5
137.09521	2.7
140.53711	2.5
147.11678	3.8
163.01561	24.4
168.03868	2.6
169.64481	2.5
184.07309	12.8
193.74977	3.0
200.30637	2.7
320.09204	5.5
322.10599	4.5
334.10727	13.8
361.27393	100.0
425.44931	3.2
502.25949	12.8
502.32846	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	5.0
65.14202	4.3
67.05527	8.0
68.16189	4.8
91.05448	19.1
93.07065	5.6
95.08634	11.6
101.24350	5.9
106.37662	4.8
107.18287	5.4
111.08078	5.8
125.81120	4.8
127.07642	6.1
127.82862	4.8
129.76886	4.6
133.10147	100.0
147.75916	4.8
149.09639	24.9
153.09019	6.2
158.53172	5.5
180.90421	6.0
189.11458	6.0
229.14301	6.7
256.80768	6.7
277.62234	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94689	0.3
53.70862	0.4
56.93545	0.4
67.05505	1.0
69.07049	0.5
79.05484	0.6
81.07060	4.8
85.02907	0.9
91.05475	1.6
92.21604	0.6
93.07035	3.0
95.08612	4.2
97.10180	0.4
105.07030	3.2
107.08575	3.6
109.10159	3.7
111.08101	1.4
119.08572	3.3
121.06541	0.6
121.10110	3.3
123.11694	1.4
131.08563	1.0
133.10141	4.5
135.11681	2.8
143.08531	0.6
145.10104	2.2
147.11667	4.4
149.13297	1.5
157.10100	0.6
159.11685	2.5
161.13216	2.6
163.14833	0.5
171.11713	0.8
173.13237	2.1
175.14835	3.8
185.13287	0.8
187.14839	1.0
189.16371	0.4
199.14867	1.0
201.16487	0.8
203.18025	0.5
213.16342	1.9
227.18045	0.9
229.19501	11.2
264.35901	0.4
269.22665	4.3
287.23666	17.1
305.24719	0.4
308.09317	1.0
308.12729	13.8
320.09296	0.9
320.12784	2.5
321.09952	1.5
322.07306	0.6
322.10751	7.8
325.09525	0.5
325.79263	0.4
334.10822	1.8
335.10944	0.4
336.12299	24.1
337.13049	30.5
338.13403	0.5
340.11841	0.7
352.15411	100.0
378.57806	0.4
383.94937	0.5
463.39105	0.4
502.17841	2.2
502.27878	0.9
521.88354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63165	4.0
57.07077	23.9
69.07070	7.7
69.65063	4.5
71.08638	53.9
77.63120	4.5
81.07072	8.8
83.08636	8.4
85.02890	11.0
85.10180	28.7
87.04485	5.3
89.06037	100.0
93.07037	8.3
95.08614	4.9
97.02914	5.8
97.10221	5.4
121.06487	72.6
121.10119	5.9
133.08583	31.0
147.08073	8.9
165.09058	18.5
177.11208	4.8
247.20644	23.1
291.23196	10.6
359.20520	36.7
485.34793	98.0
502.35123	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30354	1.4
57.03426	1.2
57.07076	2.7
58.06613	14.2
59.07379	1.9
60.08179	3.5
62.94838	1.4
71.08618	2.7
76.97626	1.4
77.19505	1.4
83.26817	1.4
84.08206	1.4
85.10149	1.8
92.21574	1.4
92.29295	1.5
95.08590	1.5
103.93221	1.3
119.74953	1.5
133.50104	2.1
133.53836	1.4
144.10184	10.7
183.87370	1.4
189.00417	1.7
236.14919	100.0
484.39807	10.0
502.41016	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32614	1.2
57.03438	1.8
57.07068	7.2
58.06602	12.2
59.07380	2.7
60.08167	5.4
67.05479	1.2
71.08627	2.8
77.45085	1.2
80.78617	1.5
85.10173	2.0
130.07468	1.3
135.40469	1.5
144.10211	9.6
162.11252	2.3
236.14915	100.0
355.60812	1.5
484.39825	11.1
486.33954	1.6
502.41003	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
57.07086	1.0
58.06599	8.9
59.07391	1.9
60.08167	4.5
65.58643	0.9
68.02696	0.7
69.07079	1.3
69.28815	0.8
74.06752	0.8
74.56645	0.7
77.73673	0.7
81.07062	0.9
83.08613	1.1
85.10185	1.0
87.04489	1.2
89.12780	0.7
95.08608	1.1
128.05241	1.0
129.36823	0.8
144.10210	6.6
148.93021	1.0
162.11284	3.5
236.14925	100.0
380.82202	0.8
484.39838	5.6
502.41080	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81466	0.4
54.29625	0.4
60.21931	0.4
97.47143	0.4
121.24657	0.4
123.38433	0.5
137.06017	0.7
144.59018	0.5
193.04988	0.7
197.52501	0.5
255.88693	0.5
287.05099	0.4
307.04700	4.2
308.05066	11.3
311.10248	1.0
320.09048	0.9
322.07184	6.1
323.07211	12.8
323.11017	4.2
340.08047	2.1
341.08490	5.4
380.11853	0.7
397.11688	1.1
409.11862	5.5
412.10489	2.4
413.11029	3.3
425.11411	7.0
426.12088	0.6
427.12979	10.7
428.09818	3.7
429.10565	0.7
441.10522	1.0
443.12381	26.1
459.15509	0.8
470.10968	0.8
487.11496	0.6
488.12198	1.0
503.14401	100.0
522.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21014	0.4
53.03967	0.9
55.01878	0.5
57.03419	0.7
59.45548	0.4
61.02921	2.8
65.96641	0.4
69.03427	7.9
73.02892	1.1
81.03408	3.0
85.02911	13.3
87.04430	0.7
87.32196	0.6
88.67448	0.5
91.05492	1.3
97.02885	5.5
99.04460	1.3
103.05480	0.7
105.07029	2.2
109.02880	2.2
109.06495	3.1
115.05443	1.1
119.08575	2.4
121.06493	0.5
122.03628	3.1
127.03931	3.9
128.06274	0.8
129.06981	1.3
131.04907	3.2
132.05719	1.1
133.06482	1.3
137.05971	100.0
141.45444	0.5
145.04985	2.0
145.06407	0.7
147.04416	0.6
147.08040	3.6
149.05952	1.1
159.08060	1.3
160.05208	0.9
161.05974	10.8
163.07535	7.0
171.08002	0.9
175.07520	42.8
177.09012	0.7
184.05142	0.7
187.07552	6.3
191.08569	2.2
199.07518	15.7
201.09058	0.8
203.08546	3.7
219.08025	6.2
220.08925	1.2
231.07993	8.5
232.08849	0.7
235.11153	0.7
236.08185	0.8
247.07547	3.2
248.08296	3.1
251.10651	13.0
259.07547	6.9
260.08264	2.3
261.09039	1.0
263.10620	6.5
264.07843	0.9
276.07709	3.5
277.08585	3.7
279.10147	6.7
280.10901	1.1
291.10101	13.5
292.10898	5.6
295.13177	0.6
308.10367	2.0
310.06970	1.0
311.07272	1.3
311.12759	21.9
318.07584	0.6
319.08383	3.3
320.09186	9.7
323.12781	26.7
325.09314	3.6
325.14325	2.9
326.09708	10.0
334.10672	6.3
340.11795	2.9
341.11966	6.1
503.17508	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46339	0.6
56.88907	0.6
69.03426	2.6
72.38060	0.6
73.88126	0.6
85.02910	4.4
91.05470	0.8
92.21455	0.8
101.71474	0.6
105.07040	4.7
108.06204	0.6
109.06485	2.7
115.05439	1.2
119.08598	1.2
122.03651	2.9
129.07039	1.1
132.05737	1.0
133.06511	4.6
137.05981	100.0
145.06441	0.8
147.04359	1.3
147.08052	1.4
149.05978	1.7
151.11212	0.8
155.04906	1.0
159.08041	1.5
160.05183	0.8
161.05946	15.3
175.07539	29.0
187.07544	10.8
191.08572	3.4
199.07510	9.7
202.07779	0.9
203.08588	3.1
219.08035	11.1
231.08131	5.6
236.08333	1.3
247.07533	5.7
248.08313	3.9
251.10670	21.0
259.07639	5.3
260.08322	4.0
261.09128	1.0
263.10602	3.0
264.07697	1.6
276.07742	1.2
277.08566	1.7
279.10101	8.0
280.10889	1.0
281.07889	0.9
283.13611	0.8
291.10208	8.6
292.10904	3.0
293.07910	1.2
296.10532	1.5
305.77008	0.9
308.10336	0.9
311.12769	31.4
323.12784	18.1
341.13708	1.6
426.87668	0.8
503.18936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46339	0.6
56.88907	0.6
69.03426	2.6
72.38060	0.6
73.88126	0.6
85.02910	4.4
91.05470	0.8
92.21455	0.8
101.71474	0.6
105.07040	4.7
108.06204	0.6
109.06485	2.7
115.05439	1.2
119.08598	1.2
122.03651	2.9
129.07039	1.1
132.05737	1.0
133.06511	4.6
137.05981	100.0
145.06441	0.8
147.04359	1.3
147.08052	1.4
149.05978	1.7
151.11212	0.8
155.04906	1.0
159.08041	1.5
160.05183	0.8
161.05946	15.3
175.07539	29.0
187.07544	10.8
191.08572	3.4
199.07510	9.7
202.07779	0.9
203.08588	3.1
219.08035	11.1
231.08131	5.6
236.08333	1.3
247.07533	5.7
248.08313	3.9
251.10670	21.0
259.07639	5.3
260.08322	4.0
261.09128	1.0
263.10602	3.0
264.07697	1.6
276.07742	1.2
277.08566	1.7
279.10101	8.0
280.10889	1.0
281.07889	0.9
283.13611	0.8
291.10208	8.6
292.10904	3.0
293.07910	1.2
296.10532	1.5
305.77008	0.9
308.10336	0.9
311.12769	31.4
323.12784	18.1
341.13708	1.6
426.87668	0.8
503.18936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2536
Annotation	(-)-Rauvomitine
Peak:m/z	Relative Intensity
51.69554	0.4
64.01349	0.3
121.12913	0.5
123.38835	0.5
137.12741	0.4
260.56949	0.5
318.07675	6.0
320.08960	0.9
321.09607	0.7
332.09088	3.2
333.10007	6.3
382.26620	0.5
384.07834	0.5
398.09009	0.5
474.22604	0.9
475.25787	1.9
503.25385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3001
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
53.03958	8.0
53.43287	1.6
55.01884	3.0
55.05523	4.3
57.03387	1.6
57.07090	2.9
60.62012	1.7
67.05510	14.9
69.07079	9.1
71.05000	2.3
71.08605	1.9
79.05495	11.9
81.03426	20.2
81.07070	20.3
83.04969	2.9
83.08609	2.8
85.02914	3.9
85.06576	1.9
91.05492	12.3
93.07044	15.6
95.04962	7.9
95.08591	15.8
97.02889	2.9
97.10237	2.3
99.04463	58.4
105.07035	13.4
107.04997	2.4
107.08612	12.7
109.10168	4.0
117.07050	10.0
119.08584	14.9
121.06551	2.3
121.10158	8.7
129.07011	8.1
131.08565	18.6
133.06544	3.6
133.10161	10.9
135.08052	2.5
135.11684	2.9
138.22287	2.0
141.05478	9.9
141.07005	3.0
143.08600	14.5
145.10175	13.9
147.08054	3.2
147.11732	7.7
149.09592	2.2
151.11223	2.3
155.08543	4.0
157.10170	8.1
158.31772	1.8
159.08052	8.1
159.11720	9.1
161.09717	1.9
161.13332	4.2
163.89639	1.8
166.62944	2.0
167.08626	3.8
169.10159	2.6
171.08049	2.3
171.11668	7.9
173.09602	2.5
173.13266	3.8
175.11259	2.5
175.14841	4.4
181.10159	2.9
183.08037	2.7
183.11717	4.4
185.13303	9.3
187.14870	3.6
197.09581	3.4
199.15009	3.8
203.14333	3.5
209.13268	2.2
211.14824	2.5
213.16338	2.8
215.14331	4.0
219.23953	2.0
225.12830	2.3
229.15854	2.6
285.15012	2.5
285.22116	8.5
297.22021	3.7
301.21765	3.2
315.23322	8.4
319.22806	2.2
323.23795	3.1
327.23154	3.4
334.10629	2.7
341.24927	3.5
345.24490	2.0
351.23184	11.4
369.24265	20.3
387.25397	12.5
405.26364	3.5
413.66861	1.9
431.28506	2.3
467.27811	18.4
485.28995	37.2
503.30075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3003
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
53.03960	15.6
61.93062	9.6
66.87215	10.5
67.05508	25.0
69.03429	10.7
71.04991	12.4
79.05491	22.6
81.03428	21.7
81.07065	42.4
90.88570	9.6
91.05499	14.7
95.04979	12.1
95.08605	23.2
97.06573	10.4
99.04449	92.5
105.07002	21.2
107.08591	18.4
109.10141	12.6
117.07023	14.3
119.08567	40.3
121.10147	16.6
131.08553	24.0
133.10159	11.7
135.11815	14.4
136.94440	11.4
143.08522	16.9
144.71216	11.1
145.10144	24.2
147.11711	13.7
159.11572	12.2
161.13264	13.8
171.11653	16.3
175.11092	11.0
196.19887	10.1
214.77661	12.1
273.22171	11.1
312.50027	11.6
325.14124	11.0
369.24142	14.1
387.25143	17.9
446.64188	11.4
485.28922	46.1
503.29425	100.0
515.86224	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3002
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
53.03955	8.7
55.01881	2.2
55.05517	6.8
55.06826	1.0
57.07074	2.3
67.05510	12.1
69.03446	2.6
69.07065	8.7
71.04980	1.5
71.08649	1.5
72.07976	1.1
79.05499	7.3
81.03423	15.7
81.07059	18.0
83.04990	2.3
83.08615	4.7
85.02912	5.4
85.06513	1.7
85.10178	1.3
91.05486	9.5
93.07053	13.2
95.04964	6.5
95.08607	12.2
95.50908	1.6
97.02911	1.4
97.06543	1.8
98.81100	1.3
99.04456	54.0
105.07037	14.6
107.04977	5.1
107.08614	6.1
109.06532	1.6
109.10157	5.2
109.95944	1.1
109.98539	1.3
117.07029	12.0
119.08603	13.0
121.06509	2.5
121.10170	7.1
126.58931	1.1
127.03890	1.3
129.06993	10.7
131.08543	13.6
133.06499	5.4
133.10124	10.1
135.08018	1.8
135.11693	1.3
137.05992	1.5
137.09563	1.4
137.13252	1.5
141.05466	9.8
141.07027	2.7
142.09996	1.2
143.08583	12.1
145.06488	5.5
145.10149	13.8
147.08032	5.0
147.11740	6.5
149.13274	2.9
155.08598	5.8
157.10107	9.2
159.08096	6.0
159.11708	8.2
161.09645	2.4
161.13297	5.4
163.11253	1.3
169.10161	6.2
171.06557	2.4
171.08046	2.8
171.11662	10.4
173.09608	2.8
173.13329	6.7
175.14854	2.7
179.10847	1.4
181.10201	2.5
183.11719	3.0
185.13284	7.9
186.15381	1.4
187.11223	2.5
187.14844	6.9
189.12726	2.5
195.11839	1.8
197.09702	1.7
197.13293	1.9
199.11243	1.4
199.14873	2.6
201.12694	2.9
203.14352	1.5
205.12407	1.6
207.11644	1.6
209.13199	1.4
211.11119	1.3
213.12735	1.4
213.16299	1.8
221.13406	1.6
227.14401	2.3
229.15927	2.2
235.53712	1.4
245.15433	1.6
255.21184	2.7
271.20761	1.4
273.22147	2.1
285.22195	2.5
297.22311	1.5
299.23621	2.2
315.23291	8.0
327.23218	2.3
334.24722	1.4
345.24261	2.5
351.23242	11.5
357.14709	1.6
369.24225	18.4
387.25421	10.9
387.29605	1.4
405.26727	2.2
467.27991	17.1
485.28928	39.0
503.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3002
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
54.21031	7.0
55.05502	13.4
60.93380	7.5
65.09905	7.6
67.05497	54.3
69.03416	18.8
69.07093	18.1
71.04994	10.5
79.05495	17.1
81.03429	44.1
81.07055	78.5
83.08630	12.0
85.06545	17.0
91.05482	54.6
93.07040	43.7
95.08602	40.3
99.04445	100.0
105.07037	79.7
107.08595	38.5
109.06509	9.7
109.10136	13.5
117.07051	10.9
119.08529	73.9
121.10147	19.1
123.08062	16.3
129.07011	9.4
131.08580	36.5
133.10127	63.9
134.10374	11.2
135.11734	10.2
143.08514	12.9
145.10107	36.2
147.11696	14.2
149.09541	12.7
157.10083	17.6
160.37285	10.2
169.10065	16.9
171.11665	13.3
185.72473	8.3
195.18840	9.4
213.32050	9.5
219.80673	9.6
259.11145	8.6
315.23465	13.7
351.23193	10.8
369.24326	36.7
387.25482	10.8
467.27957	14.6
485.28775	42.3
503.29822	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3702
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
69.81269	5.1
107.08665	5.5
149.11925	5.0
173.54581	5.2
200.43011	5.5
266.78268	6.5
294.83981	5.9
485.36212	48.6
503.37030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35922	1.5
59.97617	1.4
69.04961	1.7
81.07032	2.5
121.10147	1.9
157.52118	1.8
194.18341	2.0
196.09410	30.3
224.12552	50.4
257.17389	2.3
258.17810	2.3
486.34494	2.5
503.26071	7.7
503.38123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33544	0.9
66.82849	0.9
69.07057	1.7
81.07067	1.5
83.08674	0.9
90.50641	1.0
93.07028	2.0
95.08570	1.9
99.04474	1.7
105.07008	1.6
109.06490	1.0
109.10098	1.0
119.08586	1.0
121.10178	1.1
127.03923	1.1
131.08609	1.1
133.10156	1.5
136.65999	1.2
159.11667	1.2
224.12567	91.7
367.97095	1.2
485.28220	1.3
486.35022	1.3
494.26697	1.4
503.30124	7.1
503.38037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05517	2.7
63.52553	0.7
67.05512	5.3
69.03436	0.7
69.07069	1.3
72.08150	0.8
79.05502	4.9
81.07053	1.3
83.04979	0.7
83.08621	5.2
84.34430	0.6
86.06089	0.8
88.07594	1.1
93.07038	3.6
95.46709	0.6
97.10175	13.2
98.98447	1.7
99.04421	5.9
99.31596	0.7
107.08595	13.6
109.10161	4.6
109.10838	0.7
109.87225	0.9
114.64380	0.8
117.07054	0.9
124.11214	6.5
125.09621	18.5
125.10463	1.2
135.08044	12.0
142.12257	8.1
151.11110	0.7
152.10675	5.8
153.09114	7.2
170.11752	28.6
171.10190	2.6
175.14761	0.6
179.14279	1.2
187.48738	0.7
196.13330	2.9
197.11703	12.6
202.51445	1.0
214.14366	100.0
230.60789	0.7
232.96661	0.8
242.24704	0.8
286.27429	0.9
331.26511	1.2
375.11002	0.8
415.87598	0.8
473.60428	0.7
503.27966	5.1
503.40521	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
57.04532	0.7
57.07078	3.5
58.06597	1.4
61.92538	0.7
62.23946	0.7
67.05508	3.1
69.07069	0.8
70.56710	0.8
74.06082	1.9
79.05498	1.1
81.07063	1.4
83.08615	1.7
86.06082	6.7
88.07632	23.0
93.06998	1.0
97.10178	4.6
99.04485	1.2
100.07636	1.5
103.87202	0.8
104.07111	3.3
107.08593	5.4
109.10150	0.9
118.08657	3.7
123.58834	0.8
124.11232	1.7
125.09666	7.0
129.45111	0.9
132.10219	0.8
135.08066	4.3
140.79491	0.8
142.12318	1.9
148.09714	3.7
152.10756	1.2
153.09097	2.9
166.10756	3.4
170.11768	9.4
197.11703	3.2
200.69188	1.0
214.14360	15.3
226.25352	1.1
227.14941	0.8
228.23183	1.0
242.24774	39.8
254.24783	1.5
290.26932	3.2
301.21136	8.7
331.22543	1.5
338.45334	0.8
455.38412	19.0
503.28555	2.6
503.40527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27082	0.9
55.05514	2.1
61.88776	1.1
65.19089	0.9
67.05510	2.7
79.05495	4.8
81.07043	1.9
83.08624	6.0
86.06078	1.8
93.07049	2.6
97.10188	12.8
99.04446	5.2
107.08598	14.7
109.10159	1.9
111.08199	1.2
124.11253	6.4
125.09619	17.2
133.10228	1.4
135.08057	12.2
142.12271	10.2
152.10722	5.6
153.09111	6.4
170.11754	27.6
196.13409	1.7
197.11731	18.3
210.11050	4.2
214.14362	100.0
242.24792	1.7
250.75171	1.0
325.13095	1.2
356.16516	1.2
503.34491	5.9
503.40579	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05526	2.3
55.86653	1.1
57.07092	1.8
60.30975	1.2
67.05509	6.4
68.78748	1.1
77.99279	1.2
79.05508	1.5
83.08632	2.9
83.73921	1.1
86.06059	1.4
88.07632	1.3
93.07023	1.5
95.08604	1.9
97.10165	11.1
99.04459	2.2
104.32697	1.5
107.08592	13.5
109.10162	2.3
124.11248	8.4
125.09621	18.6
135.02902	1.4
135.08096	12.3
142.12291	7.4
147.73000	1.4
152.10760	2.8
153.09114	9.1
170.11760	24.6
196.13367	1.5
197.11731	15.7
214.14383	100.0
407.04688	1.4
503.40646	85.2
516.47601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.0
58.06593	0.9
60.34837	0.9
60.82878	1.0
67.05505	4.3
69.03438	1.0
69.07090	1.3
79.05484	1.9
81.07040	2.0
83.08624	4.9
86.06080	1.8
88.07643	1.3
93.07020	2.1
97.10156	10.9
98.98483	4.4
99.04469	7.2
107.08595	15.2
109.10156	4.9
124.11235	6.6
125.09634	17.3
133.10176	1.2
135.08051	10.9
139.29643	1.1
142.12288	9.0
152.10728	5.0
153.09128	6.2
168.45805	1.2
170.11732	23.9
171.10147	2.5
171.11597	1.1
178.17108	1.3
179.14308	2.5
193.58899	1.2
197.11765	17.1
214.14372	100.0
242.24762	1.6
324.14780	1.1
331.26382	1.7
373.09045	1.5
374.10263	2.4
375.10535	9.1
390.13068	1.8
402.09827	1.3
403.10214	3.6
405.30292	1.4
411.35645	1.8
419.13321	1.8
421.19467	1.5
455.38202	1.7
503.19678	20.0
503.27682	10.2
503.40524	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50454	0.5
54.32626	0.5
55.05508	2.8
55.56031	0.6
56.05046	0.7
57.07087	1.4
58.06599	2.9
60.28927	0.5
67.05508	3.2
70.64416	0.6
71.08624	0.8
74.06085	1.6
79.05497	3.3
81.07069	0.7
83.08624	4.0
86.06082	5.5
88.07635	23.3
88.08176	0.8
97.10171	4.8
99.04460	0.7
100.07623	2.4
104.07120	3.8
107.08577	6.3
109.10162	0.7
116.09464	0.6
118.08676	3.6
121.10137	0.7
124.11226	4.3
125.09621	7.7
135.08047	4.3
136.94978	0.8
142.12286	3.3
146.23605	0.6
148.09708	3.8
149.34367	0.7
152.10753	1.2
153.09129	3.7
166.10794	2.6
170.11755	10.3
197.11765	1.5
198.21999	0.7
214.14391	15.0
215.12791	1.0
216.05539	0.7
242.24770	44.0
254.24652	1.3
272.25714	2.3
286.27234	0.9
290.26999	3.3
301.21219	8.3
331.22308	3.6
384.87366	0.7
455.38400	17.4
503.40567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53585	0.7
55.05524	4.0
56.05048	0.8
67.05503	7.0
69.03414	1.5
69.07080	0.8
69.48246	0.7
74.06081	1.1
77.06396	0.7
77.86322	0.8
79.05501	5.3
80.67830	0.8
81.07075	4.6
83.08632	5.9
85.06536	0.9
86.06080	1.8
88.07645	3.7
91.05507	1.3
93.07049	5.0
95.08613	0.9
97.10160	13.0
99.04455	7.3
105.07043	1.2
107.08606	17.0
109.10153	8.0
117.07035	1.5
119.08621	1.4
124.11252	8.2
125.09626	14.3
131.08543	1.1
133.10135	4.3
135.08076	8.5
142.12306	9.3
143.08501	1.0
145.10147	1.9
147.11765	1.0
152.10724	3.9
153.09094	7.6
170.11771	24.8
171.10197	1.4
197.11713	13.3
214.14391	94.7
233.81557	0.9
242.24841	6.0
254.24768	1.0
411.35532	1.4
433.63928	1.1
451.71008	1.0
464.86087	1.1
503.34256	3.5
503.40570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.6
58.52061	0.4
59.12604	0.4
69.85735	0.5
71.96673	0.4
77.90877	0.4
82.84901	0.4
137.26791	0.5
278.08090	1.2
289.07440	0.9
292.09653	3.1
300.13126	0.6
305.06949	0.9
306.07608	18.1
317.06818	39.2
318.07645	0.7
319.08438	2.1
320.05466	8.1
320.09201	7.2
321.09750	0.8
322.10672	1.0
334.07089	20.8
334.10767	2.7
335.07849	21.6
336.12262	2.3
350.10214	100.0
418.40588	0.6
422.96735	0.5
456.07004	1.0
486.11771	3.3
504.20065	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02231	0.3
56.22176	0.3
58.08044	0.3
62.96014	0.3
63.07272	0.3
91.20461	0.3
186.55855	0.4
207.04851	0.3
278.08109	0.9
289.07318	1.3
292.06229	0.5
292.09680	3.0
305.06784	1.4
306.07608	18.3
317.06824	40.9
319.08380	1.7
320.05554	8.6
320.09235	1.3
321.09979	0.6
322.10773	1.4
334.07111	20.3
334.10739	1.6
335.07870	24.7
336.12131	2.7
342.13483	0.7
350.10220	100.0
442.09085	0.5
454.09039	0.5
456.07098	1.9
470.08719	0.4
486.11774	3.4
504.12610	0.6
504.20309	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94339	1.5
58.06599	1.4
60.20338	1.5
71.48475	1.5
80.11860	1.6
92.21458	1.6
94.98399	1.4
99.04474	1.8
101.84433	1.5
118.79813	1.4
153.05438	3.1
197.04547	1.6
260.27112	1.8
279.08890	7.9
280.09726	3.2
290.08246	2.3
292.09567	6.7
294.07739	2.0
294.11249	3.2
308.09103	16.6
309.09906	11.3
318.07693	2.2
319.08383	15.9
320.09216	80.2
320.12753	8.9
321.09680	7.0
322.10629	6.2
323.11502	68.2
324.12286	44.5
324.15900	2.0
326.09625	2.2
327.09995	7.1
334.10733	44.6
335.11090	3.6
336.12265	21.0
338.09821	1.7
338.13580	2.6
340.11661	7.7
341.12173	9.7
342.12491	18.4
352.11667	3.4
430.11813	5.9
442.13208	3.7
443.13547	3.7
446.11826	2.7
454.13092	1.9
456.10846	3.7
458.16180	36.3
460.13208	9.7
460.17673	14.3
470.12723	2.6
471.12778	2.7
472.17514	7.2
474.10559	4.2
474.15210	19.7
486.15637	1.8
488.12674	12.9
488.16974	25.8
489.18399	19.1
504.16675	100.0
504.19580	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05697	0.5
77.82209	0.7
85.02872	0.9
99.04401	2.9
101.05980	1.3
123.04350	3.3
175.03831	1.1
183.06412	3.9
223.05759	1.1
243.08485	0.8
290.07855	3.1
292.09460	2.9
296.08887	4.3
302.08060	6.8
304.05759	1.4
305.06406	0.8
306.07263	1.1
318.07327	4.2
319.08392	11.7
320.09158	78.5
321.09641	2.8
322.10538	1.8
324.05090	0.9
324.08633	16.5
334.10693	61.2
335.10931	1.5
336.12271	6.2
338.13492	1.0
342.12860	1.7
404.81689	0.9
440.10895	1.4
442.08646	1.1
446.11752	3.0
456.10486	1.7
458.11340	1.0
459.09238	1.2
460.13269	3.1
472.14114	8.9
474.11633	32.8
488.12711	6.8
489.14059	8.4
504.15915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37354	1.5
103.27670	1.7
103.93871	1.7
137.05833	1.7
146.36391	1.5
162.06714	7.9
165.81688	1.5
276.54779	1.7
281.06787	8.2
296.09171	100.0
319.08441	3.0
320.09058	8.8
322.10739	3.2
324.08499	6.9
334.10760	7.8
336.12289	7.4
352.08069	9.6
504.16373	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94339	1.5
58.06599	1.4
60.20338	1.5
71.48475	1.5
80.11860	1.6
92.21458	1.6
94.98399	1.4
99.04474	1.8
101.84433	1.5
118.79813	1.4
153.05438	3.1
197.04547	1.6
260.27112	1.8
279.08890	7.9
280.09726	3.2
290.08246	2.3
292.09567	6.7
294.07739	2.0
294.11249	3.2
308.09103	16.6
309.09906	11.3
318.07693	2.2
319.08383	15.9
320.09216	80.2
320.12753	8.9
321.09680	7.0
322.10629	6.2
323.11502	68.2
324.12286	44.5
324.15900	2.0
326.09625	2.2
327.09995	7.1
334.10733	44.6
335.11090	3.6
336.12265	21.0
338.09821	1.7
338.13580	2.6
340.11661	7.7
341.12173	9.7
342.12491	18.4
352.11667	3.4
430.11813	5.9
442.13208	3.7
443.13547	3.7
446.11826	2.7
454.13092	1.9
456.10846	3.7
458.16180	36.3
460.13208	9.7
460.17673	14.3
470.12723	2.6
471.12778	2.7
472.17514	7.2
474.10559	4.2
474.15210	19.7
486.15637	1.8
488.12674	12.9
488.16974	25.8
489.18399	19.1
504.16675	100.0
504.19580	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06488	0.5
56.66715	0.5
97.71304	0.8
99.04457	2.6
112.31280	0.6
123.04454	0.8
152.95265	0.6
183.06529	1.3
192.10167	0.7
269.31662	0.6
273.56812	0.7
290.08167	0.9
292.09641	3.0
302.08133	6.0
318.07684	1.5
319.08286	8.2
320.09177	100.0
321.09912	2.6
322.10602	0.9
324.08722	2.5
334.10736	42.0
335.11224	2.6
336.12296	7.9
338.13803	0.8
342.13287	1.2
440.11038	2.2
446.12286	0.9
446.19495	3.0
454.12820	0.9
456.10800	1.3
458.12238	0.8
460.13934	1.0
472.14145	5.5
474.11832	19.8
488.13321	3.7
489.14023	5.3
504.16736	60.4
504.66299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92894	0.3
54.68247	0.4
55.43668	0.4
56.27158	0.3
58.06595	0.3
106.25547	0.4
109.24046	0.5
118.84195	0.4
144.56505	0.4
146.41844	0.4
289.07437	0.6
292.06360	0.7
292.09674	3.0
305.06738	0.8
306.07599	16.0
317.06821	35.5
318.07654	0.9
319.08249	2.1
320.05511	6.6
320.09186	4.4
321.09683	0.6
322.10577	0.7
334.07135	16.5
334.10791	2.7
335.07858	21.4
336.12164	2.6
342.13443	0.6
350.10220	100.0
426.75378	0.4
460.13861	0.4
486.15634	0.5
504.12494	0.4
504.20190	3.1
504.65601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90622	0.6
55.79623	0.7
61.41474	0.8
62.00818	0.7
68.06990	0.8
68.74535	0.9
83.20396	0.9
170.05751	1.5
235.09953	1.7
263.09412	20.2
264.10165	11.5
275.09387	3.7
277.07492	0.9
279.12573	9.1
290.08435	1.7
290.11685	9.7
291.08771	5.2
292.06558	1.5
292.09662	27.8
306.07681	1.0
307.12006	35.3
308.08777	0.8
320.09161	17.1
321.09863	1.0
323.11694	1.7
334.10956	1.5
336.08386	1.4
336.12241	10.7
350.09943	0.9
446.12582	3.0
460.13904	11.6
472.13812	1.2
474.11823	17.2
488.13455	9.8
489.14261	9.2
504.16351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94339	1.5
58.06599	1.4
60.20338	1.5
71.48475	1.5
80.11860	1.6
92.21458	1.6
94.98399	1.4
99.04474	1.8
101.84433	1.5
118.79813	1.4
153.05438	3.1
197.04547	1.6
260.27112	1.8
279.08890	7.9
280.09726	3.2
290.08246	2.3
292.09567	6.7
294.07739	2.0
294.11249	3.2
308.09103	16.6
309.09906	11.3
318.07693	2.2
319.08383	15.9
320.09216	80.2
320.12753	8.9
321.09680	7.0
322.10629	6.2
323.11502	68.2
324.12286	44.5
324.15900	2.0
326.09625	2.2
327.09995	7.1
334.10733	44.6
335.11090	3.6
336.12265	21.0
338.09821	1.7
338.13580	2.6
340.11661	7.7
341.12173	9.7
342.12491	18.4
352.11667	3.4
430.11813	5.9
442.13208	3.7
443.13547	3.7
446.11826	2.7
454.13092	1.9
456.10846	3.7
458.16180	36.3
460.13208	9.7
460.17673	14.3
470.12723	2.6
471.12778	2.7
472.17514	7.2
474.10559	4.2
474.15210	19.7
486.15637	1.8
488.12674	12.9
488.16974	25.8
489.18399	19.1
504.16675	100.0
504.19580	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.0
74.58103	1.0
76.57291	1.2
80.79810	1.1
85.02862	2.0
135.04347	7.0
149.05957	7.5
155.21257	1.2
162.11768	0.9
163.03825	1.4
178.08545	2.0
188.07068	35.1
189.07840	17.9
190.08461	7.3
190.09969	1.0
199.46178	1.3
206.08141	14.5
206.11752	42.9
241.08342	1.2
255.06323	1.2
275.06808	4.4
283.09229	1.5
283.22925	1.2
293.07797	4.3
311.08902	2.5
321.09329	2.0
324.12222	14.2
334.10425	1.3
339.10620	2.5
339.42160	1.2
342.13004	87.0
342.16873	22.5
455.98859	1.3
504.18036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52680	0.2
51.15553	0.2
51.66499	0.2
52.07234	0.2
54.58344	0.2
58.06584	0.9
60.06445	0.2
69.03415	0.6
79.66464	0.2
85.02879	1.4
87.04424	0.3
91.05450	0.5
96.70048	0.3
97.02864	0.6
107.04928	0.4
119.04913	1.1
123.04388	0.6
127.03909	0.3
135.04480	0.7
135.90681	0.3
137.05974	14.4
147.04378	1.0
149.05978	4.1
164.07074	0.3
165.05475	8.5
165.07806	1.5
166.08615	2.5
175.03882	3.0
176.07054	37.0
177.05496	0.4
177.07835	15.9
178.08653	2.7
180.10107	0.4
192.06596	0.9
194.08110	6.8
195.08107	0.4
206.08115	5.0
214.18039	0.4
223.07506	0.5
225.09171	0.5
235.07518	3.4
237.09073	0.3
241.08337	0.3
251.06847	0.3
253.08575	1.6
255.06497	1.2
263.07010	8.1
265.08572	1.3
271.09494	0.3
275.06879	0.4
277.08591	0.3
281.08099	2.7
283.09515	2.7
293.08020	3.6
295.09695	1.1
299.09286	0.4
306.11285	0.4
309.09985	0.4
311.09149	3.6
322.10757	0.4
324.12262	10.5
336.61844	0.3
338.12234	0.5
342.13339	63.1
429.21161	0.3
435.92676	0.3
504.18594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67016	0.4
58.06612	0.7
69.03434	0.7
73.63567	0.4
74.30322	0.4
82.93501	0.4
85.02888	2.3
91.05443	0.8
97.02902	0.8
99.04432	0.7
107.04953	0.6
119.04898	0.8
135.04413	1.1
137.05986	15.3
147.04419	2.0
149.05988	5.1
153.56430	0.4
161.05992	0.6
164.07043	0.8
165.05481	7.9
165.07819	1.0
166.08623	2.0
174.90642	0.5
175.03876	3.3
176.07063	39.9
177.05510	0.8
177.07840	17.1
178.08627	8.6
188.07126	0.5
190.08665	0.6
192.06555	0.7
194.08133	7.7
202.69057	0.5
204.10223	0.4
206.08122	5.0
225.09119	0.7
228.16724	0.5
235.07559	5.0
237.09499	0.5
248.50398	0.4
250.08524	0.6
253.08609	1.6
255.06396	1.7
263.07025	8.3
265.08554	0.9
271.09622	0.5
275.06876	0.5
281.08038	2.9
283.09631	2.3
293.07965	3.0
299.09457	0.5
305.46927	0.5
309.09976	0.6
311.09134	4.0
311.12762	2.4
324.12305	10.5
338.12372	0.5
342.13364	82.1
342.16867	3.8
504.18518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.6
69.03381	0.5
71.72607	0.3
85.02870	2.5
87.04371	0.4
97.02844	0.4
99.04440	0.5
123.04395	0.4
127.03895	0.5
135.04428	7.4
137.05945	2.1
138.06340	0.6
145.02847	0.6
145.04967	0.4
149.05995	5.9
153.05426	0.9
157.86504	0.4
163.03888	2.2
164.06964	0.4
165.05460	0.5
166.08662	0.4
176.06972	0.5
177.05411	2.0
177.07819	0.5
178.08603	2.9
188.07060	27.0
189.07829	15.1
190.08641	6.1
206.08128	10.3
218.46504	0.4
230.14081	0.4
235.07602	0.6
241.08562	0.5
247.07487	1.8
247.69980	0.4
253.08525	0.6
263.07080	0.7
265.08441	0.4
271.09720	1.2
275.07080	5.5
281.08112	0.7
283.09628	1.6
293.08020	3.6
294.11075	0.6
295.09561	2.3
309.09991	0.6
311.09076	2.7
312.12659	0.4
322.10590	0.5
324.12308	11.4
341.12607	0.4
342.13348	84.4
414.66104	0.4
501.10785	0.5
504.18625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1866
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
62.30980	1.1
65.25911	1.2
70.13129	1.1
77.03958	1.3
85.02916	1.6
97.11197	1.3
99.96308	1.3
115.85139	1.4
116.41621	1.4
135.04440	3.1
135.69344	1.3
149.05980	2.6
163.03952	1.3
178.08591	2.7
188.07051	18.0
189.07851	15.3
190.08638	5.3
206.08365	10.0
206.11761	100.0
275.07208	1.7
324.12305	7.9
342.13284	56.3
342.17041	62.3
454.72574	1.7
504.18515	44.0
504.21835	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07382	0.3
52.40958	0.3
58.06600	1.8
69.03412	0.6
69.63473	0.4
69.74527	0.3
80.03072	0.3
80.10204	0.3
85.02880	1.7
91.05463	0.4
102.74328	0.4
107.04947	0.6
123.04450	0.4
135.04417	1.6
137.05977	11.6
147.04366	0.6
149.05986	3.7
165.05466	7.9
165.07829	1.9
166.08594	1.6
175.03925	1.8
176.07057	33.8
177.05482	0.9
177.07843	16.9
178.08629	2.8
180.10263	0.5
192.06462	0.5
192.10216	2.9
194.08125	6.4
206.08113	4.4
223.07477	0.4
235.07578	3.1
237.09193	0.6
255.06464	0.7
263.01642	0.4
263.06976	6.1
265.08600	1.6
271.09909	0.4
281.08075	2.3
283.09656	2.4
293.07956	3.4
295.09790	0.5
297.11310	0.5
299.09088	0.4
303.95178	0.4
309.10278	0.5
311.09189	4.0
322.10434	0.6
324.12253	9.9
338.12445	0.8
342.13345	57.3
342.16809	2.5
449.29691	0.4
467.07733	0.4
469.50641	0.4
478.34268	0.4
504.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1864
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
52.05445	0.2
76.34085	0.3
81.37613	0.3
85.02852	0.4
99.04403	0.5
99.56075	0.4
137.05910	1.8
140.81059	0.3
146.43970	0.3
162.05405	2.0
163.06219	0.4
164.04794	4.7
164.07053	18.9
263.05948	0.3
264.30746	0.3
298.10645	0.6
298.91772	0.3
309.09909	3.9
312.08487	0.8
320.08981	0.5
324.08740	0.4
324.12473	0.4
326.10159	2.2
327.07449	1.3
327.10965	16.1
341.12546	2.1
342.09991	5.2
342.13354	100.0
401.22467	0.4
504.18655	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88296	0.7
54.39367	0.6
55.48642	0.5
59.81170	0.6
65.65266	0.8
85.02892	1.1
89.19679	0.8
90.98859	0.7
137.05975	12.8
149.06013	3.9
165.05527	6.0
165.07831	0.9
166.08577	1.0
175.03941	1.1
176.07065	31.6
177.07843	14.1
178.08664	3.3
194.08147	5.0
202.82571	0.8
206.08202	3.6
235.07582	1.7
255.06299	0.8
263.07065	7.1
265.08658	1.0
281.08200	1.1
283.09842	1.3
293.08118	3.7
311.09204	4.2
324.12244	8.0
338.12332	0.8
342.13339	55.3
467.89789	0.8
468.20496	0.9
504.18588	100.0
518.52875	0.8
519.23700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1858
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
59.49790	2.5
65.15397	2.4
66.13834	2.4
68.52630	2.3
69.27866	2.3
70.28761	2.2
81.94244	2.4
135.04405	5.8
149.05942	3.5
157.68694	2.5
188.07082	42.5
189.07828	25.3
190.08600	4.8
206.08199	20.1
206.11748	67.8
275.07086	4.6
281.10504	6.1
308.20734	2.4
324.12338	19.4
334.10513	4.5
342.13293	89.5
342.17020	43.9
398.54282	2.9
504.17932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29991	0.5
63.76151	0.7
69.03434	0.8
69.47053	0.6
69.47479	0.6
81.40305	0.6
85.02909	1.5
97.02882	1.1
128.64862	0.7
133.01317	0.6
135.04420	8.8
137.05992	2.5
149.06004	7.3
153.05495	1.0
163.03934	1.2
175.06358	0.7
177.07878	0.9
178.08627	3.1
188.05386	1.3
188.07072	37.7
189.07851	22.2
189.09418	1.1
190.08604	7.5
195.08211	1.0
204.26790	0.7
206.08141	15.7
206.09955	1.1
223.07646	1.0
241.08572	1.1
247.07515	2.6
247.83267	0.7
253.08788	1.0
263.06979	1.5
271.09833	0.9
275.06927	5.6
283.09683	1.4
293.08127	4.0
309.09976	0.8
311.09216	2.7
324.12308	13.3
342.13348	97.0
363.95499	0.7
504.18619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06551	1.3
62.99098	1.1
92.20986	1.6
109.02844	1.4
119.96320	1.3
135.04352	8.9
137.05940	1.9
149.05910	7.2
176.06821	1.6
178.08514	2.8
185.49957	1.6
188.07063	30.3
189.07822	22.0
190.08580	9.4
206.08167	12.0
206.11769	48.1
250.11223	1.2
265.97791	1.3
266.11765	1.2
269.28143	1.3
271.09134	1.4
275.06815	6.6
293.07959	4.6
320.08942	1.7
324.12320	11.9
334.10797	2.1
336.12140	1.5
342.13016	88.9
342.16867	29.2
504.18069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01949	0.9
56.83940	0.8
58.43703	0.7
61.02912	0.8
69.03409	0.9
72.13966	0.9
74.67223	0.8
76.65491	0.8
82.79897	0.8
85.02908	3.9
121.14120	0.9
125.82584	0.9
135.04388	9.2
137.05978	2.1
149.05963	8.5
163.03905	1.1
177.07870	1.0
178.08643	2.2
182.87262	0.9
188.07048	39.2
189.07826	20.1
189.09407	1.3
190.08661	7.0
206.08168	14.2
207.06654	1.1
247.07297	1.0
253.08444	1.1
263.07233	1.2
275.06888	8.0
281.07953	1.3
293.08026	4.4
324.12289	12.2
342.13345	100.0
347.34491	0.9
373.67975	1.0
504.18591	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
52.58453	0.5
54.58003	0.4
58.06596	2.1
69.03422	0.5
85.02906	0.9
91.05459	0.9
113.38806	0.5
119.04985	0.5
135.04353	0.8
137.05975	12.7
147.04366	0.7
149.06000	3.7
149.78136	0.4
158.71220	0.5
165.05457	8.2
165.07802	1.0
166.08585	1.0
175.03896	2.7
176.05519	1.1
176.07068	32.2
177.07838	14.8
178.08641	2.6
192.10223	0.7
194.08150	7.4
206.08179	5.1
223.07512	0.5
235.07513	4.3
253.08620	0.5
255.06425	1.9
263.07053	7.3
265.08578	0.7
271.09814	0.5
281.07999	2.8
283.09570	3.0
293.07980	2.4
295.09464	0.6
304.73746	0.5
311.08984	4.0
324.12305	8.8
342.13358	60.2
342.16858	2.3
504.18466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57465	1.2
62.30241	1.1
63.06058	1.1
64.22285	1.2
96.45388	1.2
104.58585	1.1
116.76961	1.3
118.44773	1.2
131.01657	1.2
136.28595	1.2
137.05972	18.3
146.83842	1.3
156.13264	1.3
165.05475	8.1
165.07869	1.3
175.03938	1.8
176.07074	39.5
177.07799	16.7
178.08627	8.3
194.08134	8.6
206.08102	3.1
228.79948	1.4
235.07510	6.5
263.07028	9.0
271.09427	1.3
283.09576	1.5
293.08038	2.8
311.09158	5.0
324.12366	12.1
330.44269	1.2
342.13358	71.8
415.15662	1.2
471.36697	1.4
504.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18377	1.0
85.02918	1.2
95.96715	1.2
116.59924	1.1
132.08075	1.0
135.04424	5.1
149.05986	5.8
188.07097	19.8
189.07817	8.7
190.08621	5.2
206.08147	8.7
206.11758	100.0
247.07607	1.6
263.07706	1.1
275.06921	2.3
278.58942	1.2
293.07907	1.5
324.12311	5.7
342.13248	47.8
342.17023	50.1
400.87219	1.2
449.23935	1.1
504.18585	40.0
504.21909	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74531	0.7
69.03446	1.0
73.21535	0.7
79.95273	0.8
85.02896	3.7
129.56105	0.7
135.04419	5.8
137.06007	1.0
146.61475	0.7
149.05971	7.6
154.23233	0.8
159.44962	0.7
165.04092	0.8
168.07008	0.7
175.06197	1.1
178.08679	1.6
185.36508	0.7
188.07072	27.9
189.07846	15.5
190.08551	6.7
195.08051	0.9
206.08118	12.2
236.14207	0.8
247.07619	1.8
275.07016	3.1
293.08121	3.1
308.88022	0.7
311.09186	1.2
324.12177	10.0
342.09119	2.0
342.09952	1.4
342.13354	71.5
504.18634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
69.03427	0.5
85.02913	1.0
97.02914	0.9
134.64307	0.4
135.04425	6.2
137.05956	0.5
149.05986	5.2
163.03923	1.1
178.08664	2.8
188.07060	23.6
188.08696	0.9
189.07845	12.7
190.08655	5.2
206.08136	10.5
213.09109	0.7
223.07454	0.6
241.08705	0.5
247.07578	2.1
253.08711	0.7
255.06517	0.8
275.07083	5.0
281.08032	0.7
283.09775	0.6
293.08099	2.8
299.08868	0.6
309.09863	0.6
311.09192	1.9
324.12286	11.9
342.13351	66.8
359.34097	0.5
504.18631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86122	0.6
53.46785	0.6
69.03430	0.8
76.77088	0.6
85.02903	2.5
88.09517	0.6
95.52805	0.6
97.02889	0.9
117.07148	0.7
117.46025	0.7
119.75803	0.6
119.76653	0.7
123.06012	0.7
135.04413	4.7
137.06024	1.1
149.05994	6.2
153.05389	0.9
154.21498	0.7
176.07109	1.0
178.08623	3.8
188.07065	29.6
189.07822	16.7
190.08595	5.9
206.08128	10.5
241.08701	1.0
275.07013	5.8
283.09744	0.8
293.08142	3.7
311.09186	1.3
324.12268	10.7
342.13336	80.6
504.18597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58900	0.6
61.90434	0.6
64.94883	0.6
67.56068	0.7
69.14333	0.6
72.01935	0.7
74.05425	0.7
80.98227	0.7
85.02909	2.8
90.30624	0.8
135.04439	7.0
137.05981	0.9
139.80536	0.7
149.05965	5.5
163.03915	3.2
178.08669	1.5
180.29929	0.7
188.07062	33.3
189.07863	17.4
190.08658	7.2
195.08044	0.9
206.08148	12.7
233.34825	0.7
247.07600	1.8
253.08521	1.2
271.09622	0.9
275.06998	3.6
281.08096	0.7
293.08060	4.8
294.20621	0.9
311.09189	2.9
324.12274	13.3
342.13345	92.6
504.18622	100.0
512.66870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96925	0.2
60.99416	0.3
73.35737	0.3
264.70499	0.3
292.09741	2.2
319.08392	0.4
320.09158	100.0
321.09921	2.3
324.08743	0.7
334.10672	0.6
336.08563	0.6
336.12305	9.7
472.15494	0.4
488.13702	0.4
504.20288	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47895	0.3
64.54390	0.3
85.02824	0.4
97.39735	0.4
132.63884	0.4
172.08766	0.4
190.04878	2.2
214.21661	0.3
239.10626	0.4
292.09741	2.9
294.42728	0.4
304.05792	0.4
307.08200	0.6
312.43124	0.4
313.60236	0.3
318.07495	1.6
319.08249	1.8
320.09164	100.0
321.09671	0.5
322.10757	5.3
334.10815	3.4
336.12228	2.7
350.10367	0.5
364.07977	3.6
406.09213	1.3
504.20383	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
126.99564	0.3
131.01242	0.3
136.96121	0.3
149.16641	0.3
151.81161	0.3
290.08170	0.4
292.09744	3.3
318.07745	0.4
320.09171	100.0
321.09610	1.4
322.09894	0.7
323.10059	0.6
336.12308	3.1
504.20203	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2015
Annotation	Dehydrohernandaline
Peak:m/z	Relative Intensity
56.43448	0.4
59.42321	0.5
67.10284	0.4
68.68117	0.7
70.83229	0.5
100.55327	0.5
102.12939	0.4
134.00810	0.5
141.41284	0.5
275.09180	0.5
291.08789	0.6
292.09659	11.0
304.06122	0.6
304.09579	2.5
306.07581	2.9
318.07538	0.8
319.08441	4.3
320.09131	13.5
321.06729	0.9
321.09943	37.8
334.10818	8.5
336.12292	100.0
338.13217	0.8
352.15594	0.8
353.15710	1.2
354.16019	3.3
504.20215	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53014	0.6
55.05521	1.0
69.19989	0.6
70.03741	0.7
81.07112	0.8
95.08583	1.3
98.46985	0.8
107.08627	1.3
111.04414	0.9
121.02912	0.8
133.09996	1.0
277.21658	1.2
290.08215	1.5
292.09695	11.1
295.22641	1.0
304.06018	1.6
304.09451	1.1
306.07523	4.0
318.07593	5.2
319.08389	19.1
320.09113	18.6
321.09937	36.3
334.10730	55.7
335.11356	1.2
336.12283	95.4
338.13440	3.4
344.12903	1.4
352.15475	1.5
353.15756	4.0
354.15884	6.1
372.12354	2.9
374.13666	1.1
388.15369	4.9
504.20114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2015
Annotation	Dehydrohernandaline
Peak:m/z	Relative Intensity
50.53014	0.6
55.05521	1.0
69.19989	0.6
70.03741	0.7
81.07112	0.8
95.08583	1.3
98.46985	0.8
107.08627	1.3
111.04414	0.9
121.02912	0.8
133.09996	1.0
277.21658	1.2
290.08215	1.5
292.09695	11.1
295.22641	1.0
304.06018	1.6
304.09451	1.1
306.07523	4.0
318.07593	5.2
319.08389	19.1
320.09113	18.6
321.09937	36.3
334.10730	55.7
335.11356	1.2
336.12283	95.4
338.13440	3.4
344.12903	1.4
352.15475	1.5
353.15756	4.0
354.15884	6.1
372.12354	2.9
374.13666	1.1
388.15369	4.9
504.20114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2024
Annotation	Dehydrohernandaline
Peak:m/z	Relative Intensity
57.31752	1.0
66.85120	1.0
68.57967	1.1
69.03426	1.1
73.28154	1.2
83.65361	1.2
99.04468	4.8
105.54134	1.3
114.25291	1.1
122.92595	1.4
140.93170	1.3
148.48672	1.4
153.05504	2.5
153.87407	1.2
185.08054	3.0
264.22141	1.4
279.08786	1.5
308.09253	5.1
309.10126	4.7
320.09152	17.9
320.12808	7.7
321.09827	5.1
322.10327	1.5
323.11600	19.9
324.12225	15.5
334.10901	10.8
336.12372	14.0
342.12964	1.6
413.39835	1.4
414.13504	2.4
430.11993	2.0
442.12875	3.0
443.13412	2.0
445.15295	2.0
458.16119	43.9
460.18323	22.2
472.17270	6.7
473.14218	1.6
474.15997	20.7
486.15930	2.4
488.17923	29.0
489.18280	14.7
504.19739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31752	1.0
66.85120	1.0
68.57967	1.1
69.03426	1.1
73.28154	1.2
83.65361	1.2
99.04468	4.8
105.54134	1.3
114.25291	1.1
122.92595	1.4
140.93170	1.3
148.48672	1.4
153.05504	2.5
153.87407	1.2
185.08054	3.0
264.22141	1.4
279.08786	1.5
308.09253	5.1
309.10126	4.7
320.09152	17.9
320.12808	7.7
321.09827	5.1
322.10327	1.5
323.11600	19.9
324.12225	15.5
334.10901	10.8
336.12372	14.0
342.12964	1.6
413.39835	1.4
414.13504	2.4
430.11993	2.0
442.12875	3.0
443.13412	2.0
445.15295	2.0
458.16119	43.9
460.18323	22.2
472.17270	6.7
473.14218	1.6
474.15997	20.7
486.15930	2.4
488.17923	29.0
489.18280	14.7
504.19739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64494	0.9
52.24596	0.8
58.06610	7.4
60.89088	0.9
67.76714	0.8
69.03436	1.6
70.06599	1.2
78.79984	0.9
81.03413	1.3
84.40969	1.0
85.02893	1.1
86.09721	1.2
90.04134	1.0
93.60577	0.9
103.26547	0.8
107.04965	29.6
109.02906	1.3
121.06505	2.2
127.03889	0.9
137.05974	5.9
143.04955	8.5
145.06497	3.8
155.97859	0.9
163.07533	0.9
165.09097	1.7
175.03896	5.0
175.07578	2.2
178.08493	1.4
179.88696	1.1
188.07118	1.3
189.07784	1.2
190.08727	1.5
192.10173	17.8
196.09642	1.0
206.11763	77.2
207.06532	1.9
209.09517	1.3
214.10863	1.2
232.11700	1.2
237.09087	4.9
265.08688	1.7
269.11676	12.5
271.13498	1.1
285.09985	4.6
300.12314	26.1
300.15927	43.1
339.11014	1.5
342.13226	13.0
342.16971	60.6
354.13678	1.5
468.26962	1.7
486.17453	1.3
504.22726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64283	0.6
67.29080	0.7
104.28132	0.9
151.07539	8.7
151.51599	0.9
165.09152	3.3
169.77373	0.9
176.07088	1.8
178.08624	100.0
185.33881	0.8
192.10240	3.2
196.90347	0.8
241.14003	1.1
270.63632	1.0
298.43881	0.8
327.14728	0.9
342.16992	55.7
368.83646	0.8
384.87347	0.8
504.22327	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45880	0.4
66.69143	0.4
67.46143	0.4
125.61871	0.5
140.49733	0.5
150.06886	0.5
151.07552	7.9
163.06204	0.7
165.09123	2.9
176.07048	2.4
178.08621	100.0
192.10175	3.2
207.06520	0.7
294.12497	0.5
325.14468	0.7
326.14145	0.9
327.14691	0.7
340.14209	0.9
342.16995	53.6
504.22327	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64494	0.9
52.24596	0.8
58.06610	7.4
60.89088	0.9
67.76714	0.8
69.03436	1.6
70.06599	1.2
78.79984	0.9
81.03413	1.3
84.40969	1.0
85.02893	1.1
86.09721	1.2
90.04134	1.0
93.60577	0.9
103.26547	0.8
107.04965	29.6
109.02906	1.3
121.06505	2.2
127.03889	0.9
137.05974	5.9
143.04955	8.5
145.06497	3.8
155.97859	0.9
163.07533	0.9
165.09097	1.7
175.03896	5.0
175.07578	2.2
178.08493	1.4
179.88696	1.1
188.07118	1.3
189.07784	1.2
190.08727	1.5
192.10173	17.8
196.09642	1.0
206.11763	77.2
207.06532	1.9
209.09517	1.3
214.10863	1.2
232.11700	1.2
237.09087	4.9
265.08688	1.7
269.11676	12.5
271.13498	1.1
285.09985	4.6
300.12314	26.1
300.15927	43.1
339.11014	1.5
342.13226	13.0
342.16971	60.6
354.13678	1.5
468.26962	1.7
486.17453	1.3
504.22726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88565	0.4
57.44893	0.4
66.77753	0.5
83.89653	0.4
87.04477	0.4
118.36789	0.4
135.62717	0.5
151.07590	5.8
163.06238	0.9
165.09109	4.0
176.07039	2.9
177.07886	0.5
178.08624	100.0
192.10175	2.3
291.68042	0.5
294.12360	0.7
326.13602	0.7
327.14651	0.5
340.14362	1.9
342.16983	55.5
504.22418	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68489	0.4
52.78008	0.4
58.06608	9.9
75.41145	0.4
100.98228	0.4
104.24783	0.5
154.12965	0.5
160.32446	0.5
177.07767	0.6
190.08618	1.1
192.10187	100.0
237.09160	2.2
252.45865	0.5
265.08575	8.3
279.10223	2.2
282.08920	2.3
289.08585	1.0
297.11166	8.9
299.12903	0.7
306.08853	2.7
311.12988	0.9
316.85117	0.5
321.11240	0.9
324.12405	0.7
336.74658	0.5
342.13284	8.0
342.16956	46.6
353.24457	0.6
423.40439	0.6
459.16718	1.1
470.68054	0.6
504.22458	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27522	0.2
68.88140	0.2
80.69631	0.2
86.09686	0.3
91.05465	0.3
119.04951	0.3
137.05907	0.3
139.25241	0.3
150.06732	1.0
151.07530	8.0
161.42386	0.3
163.06291	1.1
165.09076	2.6
176.07042	2.8
178.08623	100.0
191.09450	0.5
192.10210	3.5
204.10199	0.3
293.11575	0.6
294.12271	0.5
325.14142	0.3
326.13779	0.4
327.14667	1.6
327.48364	0.3
340.13998	1.5
342.16983	54.6
444.92932	0.3
459.62405	0.2
504.22290	66.3
520.72290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84875	0.3
63.63719	0.3
64.34985	0.3
69.88734	0.3
74.08687	0.3
79.50974	0.3
104.17014	0.4
119.04945	0.5
142.67502	0.3
143.04941	0.4
150.06763	0.6
151.07527	8.1
163.06313	0.7
165.09138	3.9
175.07497	0.4
176.07059	2.9
178.08629	100.0
188.30708	0.4
192.10194	3.4
213.54359	0.4
239.69031	0.4
280.06085	1.7
294.12540	0.6
308.05515	2.7
309.06287	4.9
312.12320	0.4
324.08658	18.9
325.14319	0.6
326.13571	0.5
327.14670	2.3
342.09805	3.8
342.16995	61.1
355.32620	0.4
387.74683	0.5
504.15051	9.1
504.22211	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06316	2.1
58.06610	57.9
69.03438	1.4
69.25037	1.4
70.89390	1.3
71.65788	1.3
73.77362	1.4
80.98037	1.6
94.71060	1.5
99.73155	1.7
101.59270	1.5
103.28556	1.8
118.70395	1.6
146.02902	1.4
175.84857	1.9
237.09145	5.3
265.08597	52.6
265.11465	2.2
279.10239	6.1
282.08899	9.7
289.08459	2.0
293.11719	2.8
297.11215	54.1
299.12906	7.3
306.09012	9.6
309.11249	2.3
321.11337	2.8
342.13232	3.5
342.17026	53.1
504.22363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45880	0.4
66.69143	0.4
67.46143	0.4
125.61871	0.5
140.49733	0.5
150.06886	0.5
151.07552	7.9
163.06204	0.7
165.09123	2.9
176.07048	2.4
178.08621	100.0
192.10175	3.2
207.06520	0.7
294.12497	0.5
325.14468	0.7
326.14145	0.9
327.14691	0.7
340.14209	0.9
342.16995	53.6
504.22327	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.8
52.04310	0.6
53.64449	0.7
58.06605	66.0
69.03414	1.2
70.06593	1.0
75.95287	0.8
77.03884	0.7
81.50935	0.8
85.02862	0.8
90.99506	0.8
184.65193	0.8
191.08470	1.1
207.07788	4.2
208.07947	1.6
219.08026	1.6
237.09077	8.3
247.07503	1.1
265.08572	57.6
267.10394	1.2
269.11832	1.4
271.09378	0.8
279.10159	5.0
282.08911	11.0
284.10422	1.3
295.09879	1.6
297.11188	78.4
299.12729	10.1
306.09015	3.4
309.11212	0.8
310.07211	1.7
311.12842	1.1
313.75497	0.8
342.13638	3.7
342.17010	75.8
504.22345	100.0
516.07288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.8
52.04310	0.6
53.64449	0.7
58.06605	66.0
69.03414	1.2
70.06593	1.0
75.95287	0.8
77.03884	0.7
81.50935	0.8
85.02862	0.8
90.99506	0.8
184.65193	0.8
191.08470	1.1
207.07788	4.2
208.07947	1.6
219.08026	1.6
237.09077	8.3
247.07503	1.1
265.08572	57.6
267.10394	1.2
269.11832	1.4
271.09378	0.8
279.10159	5.0
282.08911	11.0
284.10422	1.3
295.09879	1.6
297.11188	78.4
299.12729	10.1
306.09015	3.4
309.11212	0.8
310.07211	1.7
311.12842	1.1
313.75497	0.8
342.13638	3.7
342.17010	75.8
504.22345	100.0
516.07288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72807	0.7
52.85757	0.6
55.52089	0.7
58.06607	48.4
73.03579	0.7
85.02908	1.5
90.34065	0.9
112.42587	0.8
114.94617	0.7
129.01895	0.7
142.08716	1.1
192.10185	31.2
192.11841	1.3
207.08136	1.1
214.43719	0.8
233.05923	1.1
237.09029	6.6
265.08585	39.6
279.10043	6.1
282.08783	8.9
284.10626	1.0
289.08704	4.9
293.11871	1.2
295.09613	1.5
297.11215	45.1
299.12781	7.0
306.08887	7.8
309.10968	3.5
321.11221	1.8
324.12503	3.2
342.13388	20.0
342.17191	58.2
457.29581	1.1
459.16556	1.7
504.22461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
75.10826	0.5
79.80196	0.4
85.02789	0.5
97.29662	0.4
119.45514	0.4
135.04390	0.7
188.07063	2.7
189.07784	1.0
190.08589	0.7
204.10199	1.0
206.11763	100.0
282.39551	0.5
321.73135	0.5
324.12350	0.6
342.13379	8.7
342.16989	69.5
504.22546	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50519	1.0
58.06609	64.7
58.93805	0.9
58.97723	1.0
100.61488	1.0
102.60095	1.1
154.92867	1.2
173.14357	1.3
175.96358	1.1
219.08012	1.4
235.07599	2.0
237.09157	8.3
265.08578	63.6
267.10049	2.2
277.72226	1.2
279.10135	2.7
282.08902	13.3
297.11215	84.5
299.12732	10.1
342.12778	2.5
342.16986	79.9
369.02005	1.3
478.77515	1.4
501.09012	1.2
504.22281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50519	1.0
58.06609	64.7
58.93805	0.9
58.97723	1.0
100.61488	1.0
102.60095	1.1
154.92867	1.2
173.14357	1.3
175.96358	1.1
219.08012	1.4
235.07599	2.0
237.09157	8.3
265.08578	63.6
267.10049	2.2
277.72226	1.2
279.10135	2.7
282.08902	13.3
297.11215	84.5
299.12732	10.1
342.12778	2.5
342.16986	79.9
369.02005	1.3
478.77515	1.4
501.09012	1.2
504.22281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
75.10826	0.5
79.80196	0.4
85.02789	0.5
97.29662	0.4
119.45514	0.4
135.04390	0.7
188.07063	2.7
189.07784	1.0
190.08589	0.7
204.10199	1.0
206.11763	100.0
282.39551	0.5
321.73135	0.5
324.12350	0.6
342.13379	8.7
342.16989	69.5
504.22546	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54300	0.6
67.86006	0.7
85.02925	1.3
85.69745	0.6
91.03954	1.3
97.02871	0.8
109.37576	0.7
163.06067	1.0
209.06973	0.7
318.07474	8.4
320.09140	12.5
321.09824	1.0
332.09326	1.6
333.09927	8.0
336.12433	1.4
418.95724	0.8
419.52762	0.8
476.24631	1.1
504.23779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	50.5
80.73826	0.9
91.09144	0.9
103.05468	1.8
103.21173	0.9
114.09173	1.2
131.04929	26.1
131.05872	1.3
137.05969	10.4
145.02919	4.7
151.07654	1.0
154.66075	0.9
161.06035	2.2
163.07588	1.8
177.05493	5.0
184.40466	1.0
206.11832	1.2
258.48685	1.2
259.07587	1.6
267.10141	2.1
277.08554	20.9
278.09375	1.3
289.09146	1.0
291.10132	2.0
294.08865	17.1
297.11273	5.3
309.11230	50.1
319.08679	1.7
320.09006	10.0
321.09335	2.0
322.10095	5.9
324.10385	1.1
324.12689	1.3
334.10678	2.2
336.12393	1.6
342.13284	1.7
367.13351	4.0
395.12784	2.5
427.15240	1.4
444.15817	1.9
459.18091	7.1
460.14063	1.4
461.19885	1.2
474.11798	1.6
489.14685	1.5
504.16797	16.1
504.23880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3075
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
55.05524	9.1
57.03464	7.2
57.07069	1.6
67.05508	25.6
69.07072	13.6
74.06116	1.0
79.05499	13.3
81.07063	29.8
83.08617	5.5
91.05507	8.9
93.07051	18.3
95.08605	28.1
97.10159	5.1
105.07021	4.1
107.08595	10.8
109.10151	12.8
110.94664	1.1
119.08560	5.6
121.10143	6.4
123.11713	1.0
125.09621	4.0
131.08617	3.5
133.10098	2.3
135.11714	4.5
137.09636	2.0
145.10167	1.8
147.11707	1.4
153.12756	1.6
161.34932	0.9
182.24686	1.0
215.12784	35.5
241.08864	1.1
241.41896	1.0
255.13818	5.6
269.15247	1.9
297.14761	1.0
329.17444	18.4
332.29486	1.2
336.12372	9.7
363.28931	100.0
469.29895	1.9
504.30765	6.1
504.38907	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3082
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
57.03465	8.2
62.06095	27.2
67.05505	33.0
72.08163	56.9
78.01067	6.8
79.05484	10.2
81.07059	32.8
93.07011	15.7
95.08595	16.8
96.08898	7.0
105.07025	8.1
107.08588	11.2
111.59712	6.2
119.29330	8.7
121.10105	7.8
243.11407	6.6
320.09039	7.3
321.09833	8.1
336.12265	45.9
344.72134	7.0
363.28735	96.3
380.87143	7.6
486.29437	42.6
504.30963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02943	5.3
64.02796	5.0
67.05508	46.7
69.07071	5.7
78.29216	4.7
79.05486	37.1
81.07074	41.6
89.24496	5.4
89.30102	5.7
91.05473	9.3
93.07027	53.6
95.08623	38.6
97.33397	5.2
105.07037	7.7
107.08605	32.5
109.10160	12.3
119.08557	12.7
121.10162	61.6
131.08609	25.7
133.10149	27.9
135.11691	44.1
145.10185	24.2
147.11635	8.6
149.13231	29.3
157.55150	5.6
159.11626	19.8
173.13293	8.7
215.17903	44.9
233.18979	100.0
319.85626	7.0
325.23590	56.1
382.33459	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26429	2.7
52.71788	2.6
54.80643	2.5
55.05519	3.6
56.69793	2.6
56.99387	2.7
60.05079	2.6
66.03014	3.4
67.05508	44.4
67.80214	3.3
71.05009	4.2
75.44730	3.1
79.05501	23.5
81.07059	51.1
85.02911	8.5
85.06546	5.9
90.46674	3.5
91.03940	4.7
91.05478	7.3
93.07041	43.9
94.23512	3.5
95.08605	33.0
105.07018	16.7
107.08600	34.0
109.10189	28.3
114.75809	3.8
119.08572	15.6
121.10154	40.3
123.11719	7.7
131.08554	15.0
133.10138	24.0
135.11684	43.4
145.10115	15.8
147.11723	12.1
149.13234	17.3
159.11656	20.5
168.90486	3.3
173.13182	13.2
215.17929	37.8
233.18979	64.0
292.09628	6.4
297.63425	3.4
305.85403	3.6
307.22678	16.9
320.09317	5.8
321.09937	27.3
325.23694	50.5
329.94174	3.5
336.12265	100.0
492.34225	4.4
504.24307	46.5
504.31036	6.0
504.40717	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06821	2.3
57.07083	39.2
76.15257	1.3
83.90906	1.4
93.07030	1.6
95.08646	1.5
201.34306	1.4
224.12561	6.9
225.12866	5.6
263.04663	45.4
319.10941	100.0
375.17184	98.1
375.21024	2.1
422.39633	1.5
431.23416	21.9
487.29742	87.0
504.32932	1.6
504.38730	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70850	0.4
77.84013	0.4
81.07045	0.5
91.03942	0.4
93.07048	0.6
100.31105	0.4
116.99818	0.5
130.96303	0.4
133.10143	0.6
146.09544	0.4
232.07870	0.5
270.07379	0.6
292.09705	2.8
299.00293	0.5
306.07581	0.7
320.09235	5.8
321.09985	6.7
334.10864	0.5
336.12268	18.1
338.13989	0.5
340.26431	0.8
342.67654	0.5
368.25803	7.0
386.26889	10.7
404.27927	4.0
439.92459	0.5
458.32715	1.0
468.31097	20.1
486.32141	73.9
504.23801	5.1
504.33173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31479	0.5
55.05511	3.8
67.05508	2.1
69.07031	0.5
79.05502	2.6
81.07063	2.6
83.08615	4.7
88.07648	0.6
93.07059	0.6
97.10171	12.0
97.89107	0.5
101.51668	0.5
104.98948	0.5
107.08617	3.0
109.10155	0.9
110.51693	0.5
125.09631	11.4
135.08080	0.8
152.97919	0.5
174.69794	0.5
189.11214	2.2
197.11803	0.7
202.15236	0.6
215.12781	100.0
222.22093	0.5
224.08942	1.2
282.61447	0.5
320.09036	0.8
336.12436	3.0
369.30069	0.5
424.27982	0.6
504.38986	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89622	0.5
70.06592	0.7
70.76261	0.5
84.04520	0.6
85.02890	0.7
86.29555	0.5
86.34792	0.5
91.05446	0.9
99.04442	0.8
119.04964	1.2
130.05005	1.0
135.98825	0.6
137.05986	11.1
147.04451	0.9
147.07657	1.2
151.07565	3.6
175.03918	0.9
177.05412	1.2
177.17673	0.5
179.07051	3.0
188.06989	0.7
207.06532	0.9
224.07043	16.5
225.07791	15.1
228.06578	0.8
229.07326	0.6
257.06821	12.5
265.07367	3.4
268.09668	2.5
269.06979	0.9
293.09286	4.9
294.07611	2.9
295.10953	4.1
296.05527	100.0
298.10962	0.9
307.10834	2.8
308.08990	1.1
309.09943	6.8
310.09546	2.4
323.10251	39.1
343.13544	1.3
343.17285	0.9
376.89844	0.6
429.14468	3.8
445.13580	2.2
446.14569	3.4
461.16971	12.7
505.15933	41.9
505.21747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26857	0.5
55.24463	0.5
59.41331	0.4
61.09697	0.4
88.48061	0.5
97.22894	0.6
105.26599	0.6
108.63570	0.6
134.30630	0.6
206.18965	0.5
214.95039	0.5
229.54820	0.5
265.03717	0.6
290.08090	9.8
302.08002	2.2
304.06033	7.7
318.07550	14.1
319.08371	47.0
320.09143	1.0
334.10715	100.0
337.12787	0.7
389.11810	0.8
437.96219	0.6
447.09845	0.9
461.13129	0.9
473.13474	0.7
475.09760	1.1
489.12885	3.4
505.14886	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16946	0.4
76.98427	0.4
78.18656	0.3
84.02429	0.4
85.17377	0.4
85.67384	0.4
107.46918	0.4
125.94322	0.5
132.66858	0.5
134.59106	0.4
290.08157	9.0
302.08151	2.4
304.06033	7.9
318.07581	13.3
319.08398	44.1
320.09192	1.0
334.10727	100.0
410.74142	0.4
447.09763	0.6
475.09402	0.5
505.17905	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56259	0.6
67.95064	0.6
69.03439	0.9
75.00877	0.6
77.35468	0.6
77.44595	0.6
81.03407	1.3
85.02925	1.3
91.05468	3.2
91.82559	0.6
105.20831	0.6
107.04947	1.1
119.04940	18.1
119.05752	1.3
147.04413	20.9
157.03961	0.7
175.03900	67.6
179.07030	1.0
189.74756	0.6
207.06520	100.0
208.31892	0.7
217.20921	0.7
343.13669	0.8
369.11734	9.5
401.56485	0.8
505.18729	0.8
505.23172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66721	0.7
62.51709	0.6
65.02985	0.6
79.05500	1.0
80.81644	0.8
81.03419	5.7
85.02918	1.1
87.05605	1.0
91.05473	0.8
103.05470	5.7
105.07026	5.6
107.04956	61.0
114.92291	0.7
115.05450	1.5
120.05677	0.7
131.04935	5.6
133.06549	9.3
135.08055	31.8
135.09091	1.2
137.05949	1.4
145.07594	3.5
154.06285	0.8
161.05960	17.7
163.07533	100.0
165.09084	2.8
167.07024	39.6
180.07851	1.1
181.08583	1.7
193.08589	7.2
195.10162	78.2
205.81973	0.6
213.11214	1.6
223.09567	0.8
291.12225	5.8
342.13153	0.7
373.14883	9.0
505.15005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3153
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
53.03962	7.2
53.95919	4.2
55.05518	12.8
55.87748	4.7
57.07071	6.3
65.00648	4.1
67.05512	38.4
69.03426	29.0
69.07064	23.1
71.04986	7.2
71.08637	6.8
71.83712	4.2
79.05489	27.2
81.03419	26.0
81.07069	56.4
83.04985	8.3
83.08618	18.7
91.05476	21.0
91.76942	4.7
93.07047	42.0
95.04971	11.6
95.08596	37.6
97.02898	8.3
99.04440	100.0
99.08070	7.1
105.07034	29.0
107.04936	10.7
107.08588	35.3
109.10149	29.7
111.04397	6.3
117.07030	9.3
119.08561	30.1
121.10144	30.4
123.11692	9.6
129.07007	7.0
131.08563	31.5
133.10126	36.2
135.08060	7.4
135.11723	21.1
141.05460	21.5
143.08473	5.4
145.10126	8.5
147.11670	11.4
149.13239	12.0
159.11696	8.6
163.14778	6.8
171.11644	7.4
173.09740	5.0
185.13383	5.6
201.16386	5.8
212.57846	5.6
233.15347	6.2
305.24646	5.2
317.25107	6.4
329.24820	5.8
343.26334	9.5
353.24677	22.8
357.65714	6.0
371.25803	35.2
389.26947	35.8
391.71329	6.2
407.27722	12.5
469.29422	28.5
487.30676	41.4
487.36801	5.7
505.31412	88.1
511.75378	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29952	2.6
53.03955	8.6
55.01859	3.9
55.05522	8.7
57.07090	5.2
59.81223	2.9
62.30627	2.7
62.98765	3.1
67.05517	46.4
69.03435	17.6
69.07067	21.0
71.04981	4.0
71.08620	5.4
77.29422	3.1
79.05513	27.2
81.03417	32.4
81.07068	54.0
83.04981	7.5
83.08611	19.8
83.62175	3.2
85.02906	4.0
85.06499	3.1
87.04431	5.0
91.05491	31.3
93.07055	37.1
95.04966	17.8
95.08605	44.7
95.13598	3.8
97.02878	8.2
97.06527	8.0
97.10136	15.0
99.04469	100.0
99.56368	3.8
105.07022	39.3
107.04941	4.5
107.08614	30.3
109.10178	21.5
111.04404	4.7
117.07007	20.1
119.08584	27.8
121.06566	7.2
121.10162	26.0
123.04400	4.6
123.11729	5.0
129.07004	5.2
131.08566	29.7
133.06476	4.9
133.10133	17.6
135.11676	8.8
141.05476	8.4
141.42363	4.5
143.08583	7.8
145.10147	25.4
147.08046	7.5
147.11723	14.5
149.13216	4.5
157.10110	7.9
159.07906	5.0
159.11693	7.1
161.13246	7.5
171.11714	5.8
173.13252	13.0
175.14857	7.8
177.71701	3.6
183.11702	4.1
191.14432	5.4
201.16368	4.0
273.18430	4.7
301.03802	4.2
303.23212	8.8
317.24890	14.8
343.26419	5.5
353.24710	16.3
371.25858	39.9
389.26736	29.4
407.27844	5.7
411.41177	3.5
469.29709	27.6
487.30530	41.3
505.31534	88.5
505.38400	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61424	1.1
54.08287	1.0
54.68297	1.3
55.05526	1.5
55.51951	1.1
57.42341	1.0
59.04981	1.2
67.05502	7.1
69.03426	2.4
69.07073	1.8
81.07039	9.9
83.08618	1.5
88.59058	1.3
91.05449	1.5
92.21526	2.3
93.07049	7.8
95.08615	16.3
105.07037	2.0
107.08578	6.8
109.06483	1.5
109.10151	24.5
111.08080	1.4
119.08582	4.8
121.04857	1.3
121.06463	1.6
121.10129	3.3
131.08536	1.6
133.10172	2.5
135.11656	1.3
137.09608	13.3
147.11627	1.5
149.09666	2.3
157.10100	1.9
159.11703	1.8
165.09090	100.0
175.11183	2.0
177.09096	6.4
179.10687	2.3
187.11296	1.5
189.09003	1.4
197.11665	1.4
203.10672	10.2
205.12267	10.8
210.11021	1.9
231.14066	1.7
240.24701	1.5
259.20511	1.7
267.00494	1.7
287.20035	2.2
311.56619	1.6
336.12100	2.1
457.87936	1.6
469.29431	3.1
487.30252	5.2
505.24664	2.6
505.30411	13.7
511.01163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
57.07074	2.4
67.05502	20.2
67.19450	1.6
67.39321	1.8
67.42464	2.0
69.03413	12.2
69.03774	1.9
69.07056	10.2
71.04996	2.4
79.05480	12.0
81.03413	9.9
81.07068	27.3
83.08608	3.8
85.02895	8.6
91.05493	14.3
93.07038	21.6
95.04934	2.2
95.08598	27.5
97.02858	2.6
97.06548	2.5
99.04411	2.3
105.07037	22.5
107.08595	16.1
109.06460	2.1
109.10149	12.0
111.07997	2.1
117.07038	3.0
119.08575	19.6
121.10149	14.0
123.11659	2.2
123.51721	2.1
127.03905	4.1
127.64846	1.9
129.06956	3.5
131.08566	19.2
133.10107	21.1
135.07936	2.7
135.11697	9.5
143.08537	13.4
145.10130	31.4
147.07970	2.3
147.11717	15.2
149.13185	3.1
155.08447	2.0
157.10107	13.1
159.11719	20.3
161.13268	8.2
169.10092	4.1
171.11647	10.4
173.13284	15.8
183.11652	4.7
185.13289	9.3
187.14778	12.5
189.16324	2.7
195.11697	2.3
199.14749	4.3
201.16402	4.8
211.14815	2.2
213.16298	3.6
215.17972	2.2
233.18961	2.7
243.17809	2.1
259.20712	3.1
320.08755	2.7
321.09668	3.4
325.25116	12.0
327.26691	7.7
336.12091	9.9
343.26434	17.5
451.28229	2.6
469.29559	13.6
487.30338	26.0
494.25073	2.1
505.31332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.42967	1.2
55.01895	1.7
55.05523	22.5
57.07065	2.2
67.05510	36.3
69.03419	2.0
69.07075	14.7
71.04998	2.1
79.05496	21.2
81.07058	33.5
83.04975	2.3
83.08618	17.0
85.16335	1.3
86.86320	1.3
91.05461	12.6
93.07039	36.7
95.08610	19.8
96.91002	1.4
97.09582	2.8
97.10168	41.9
103.69988	1.4
105.07015	7.5
107.08600	25.1
109.10141	21.0
111.08105	1.6
117.07027	3.3
119.08572	16.1
121.10136	15.4
123.11742	2.4
125.09634	37.0
131.08543	6.8
133.10107	11.7
135.08023	3.0
135.11697	10.4
137.04068	1.3
145.10106	6.8
147.11681	9.5
149.13249	3.4
159.11668	9.3
161.13213	6.3
163.14772	2.1
171.11633	2.0
172.52235	1.6
173.13264	3.7
175.14909	3.1
187.14784	2.0
189.11209	7.2
197.13264	2.0
224.28072	1.3
227.12776	26.6
229.14294	3.7
231.21068	1.5
235.52403	1.6
259.20508	7.1
261.22153	13.1
295.62680	1.7
298.00027	1.5
317.24652	1.8
320.11148	2.9
333.24106	3.4
376.17578	2.3
471.38400	3.1
487.34290	10.6
488.29694	3.3
488.41309	2.6
505.35065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42967	1.2
55.01895	1.7
55.05523	22.5
57.07065	2.2
67.05510	36.3
69.03419	2.0
69.07075	14.7
71.04998	2.1
79.05496	21.2
81.07058	33.5
83.04975	2.3
83.08618	17.0
85.16335	1.3
86.86320	1.3
91.05461	12.6
93.07039	36.7
95.08610	19.8
96.91002	1.4
97.09582	2.8
97.10168	41.9
103.69988	1.4
105.07015	7.5
107.08600	25.1
109.10141	21.0
111.08105	1.6
117.07027	3.3
119.08572	16.1
121.10136	15.4
123.11742	2.4
125.09634	37.0
131.08543	6.8
133.10107	11.7
135.08023	3.0
135.11697	10.4
137.04068	1.3
145.10106	6.8
147.11681	9.5
149.13249	3.4
159.11668	9.3
161.13213	6.3
163.14772	2.1
171.11633	2.0
172.52235	1.6
173.13264	3.7
175.14909	3.1
187.14784	2.0
189.11209	7.2
197.13264	2.0
224.28072	1.3
227.12776	26.6
229.14294	3.7
231.21068	1.5
235.52403	1.6
259.20508	7.1
261.22153	13.1
295.62680	1.7
298.00027	1.5
317.24652	1.8
320.11148	2.9
333.24106	3.4
376.17578	2.3
471.38400	3.1
487.34290	10.6
488.29694	3.3
488.41309	2.6
505.35065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	25.3
57.07078	5.2
67.05508	28.7
69.07070	39.7
79.05495	8.5
81.07061	37.3
83.04986	7.3
83.08627	23.4
91.05479	8.9
93.07035	16.1
95.08607	37.4
97.06537	5.3
97.07139	1.3
97.10168	16.8
98.86340	1.2
99.36516	1.2
105.07041	9.5
107.08592	10.3
109.06548	1.8
109.10154	19.3
111.08166	1.7
111.11737	5.7
119.08592	10.1
120.45845	1.3
121.10146	8.6
123.08020	1.9
123.11668	10.2
129.64093	1.1
133.10129	12.9
135.11703	10.5
135.47975	1.3
137.09604	2.8
137.13264	2.0
147.11729	8.2
149.13251	2.0
151.11203	1.7
151.14873	1.4
153.12770	1.6
161.13278	8.6
165.12733	1.8
165.79269	1.2
175.14873	2.5
179.14262	1.3
188.54312	1.2
191.18094	1.2
193.19569	1.7
217.19521	6.2
235.20647	7.8
331.55069	1.2
505.42499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71707	0.6
53.00344	0.7
55.05248	0.9
55.05521	25.3
55.56443	0.7
57.03475	0.8
57.07077	4.8
66.45176	0.6
67.05510	32.2
69.07071	40.1
69.07442	1.6
71.04992	1.0
71.08612	1.4
79.05501	10.6
81.07065	40.8
83.04980	1.8
83.08625	21.5
85.06548	3.9
85.10162	0.7
91.05482	9.8
91.88680	0.8
93.07045	14.7
95.08607	40.9
97.06532	3.7
97.10170	16.5
99.04465	0.8
99.08127	1.5
105.07028	10.1
107.08601	11.1
109.06525	0.9
109.10159	18.4
111.08088	1.3
111.11715	6.9
119.08564	9.6
121.10143	10.2
123.08067	1.2
123.11706	7.0
125.09653	1.2
125.13208	1.1
127.07594	1.1
133.10124	13.0
135.11703	7.6
137.09622	3.0
137.13272	3.7
139.11191	1.7
147.11696	7.3
149.13298	1.6
151.11180	1.7
151.14809	1.8
153.12730	1.8
161.13274	9.2
164.36047	0.8
165.12770	1.7
175.14835	1.8
179.14296	0.9
193.19673	0.8
217.19493	7.2
235.20547	7.4
240.23218	1.7
253.21686	0.9
505.42511	100.0
515.17682	0.8
532.30829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93528	0.5
58.06606	1.5
70.06571	0.6
70.52689	0.6
72.42684	0.6
81.03408	1.2
81.30684	0.6
84.08165	0.8
85.02917	1.5
92.21033	0.7
99.04459	3.2
102.05545	0.7
121.06507	1.1
126.05537	1.1
127.03875	0.8
147.04387	5.9
164.07051	2.7
177.05476	3.4
178.08719	1.0
190.04922	1.3
194.08087	0.8
237.07802	5.2
246.09601	1.2
265.07373	3.3
277.59192	0.8
291.08426	1.1
293.03763	0.6
293.06638	5.6
293.09857	0.6
294.07565	29.3
295.08286	10.3
296.05502	1.2
310.07068	17.6
311.07858	33.3
313.10822	0.7
326.10214	100.0
344.11267	7.7
344.14865	3.0
348.01093	0.7
386.10681	0.7
488.15463	16.5
506.16138	25.5
523.36896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93528	0.5
58.06606	1.5
70.06571	0.6
70.52689	0.6
72.42684	0.6
81.03408	1.2
81.30684	0.6
84.08165	0.8
85.02917	1.5
92.21033	0.7
99.04459	3.2
102.05545	0.7
121.06507	1.1
126.05537	1.1
127.03875	0.8
147.04387	5.9
164.07051	2.7
177.05476	3.4
178.08719	1.0
190.04922	1.3
194.08087	0.8
237.07802	5.2
246.09601	1.2
265.07373	3.3
277.59192	0.8
291.08426	1.1
293.03763	0.6
293.06638	5.6
293.09857	0.6
294.07565	29.3
295.08286	10.3
296.05502	1.2
310.07068	17.6
311.07858	33.3
313.10822	0.7
326.10214	100.0
344.11267	7.7
344.14865	3.0
348.01093	0.7
386.10681	0.7
488.15463	16.5
506.16138	25.5
523.36896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30510	0.6
58.06609	32.6
59.71246	0.7
65.99792	0.7
72.03229	0.7
81.03451	0.8
89.97224	0.7
95.85197	0.7
103.92390	0.9
112.51839	0.7
125.71983	0.7
137.02348	100.0
137.03392	5.1
202.38933	0.9
207.08089	1.2
212.81128	0.7
219.07980	0.9
228.53206	0.9
237.09123	3.3
260.45926	0.8
261.29355	0.8
265.08569	23.5
278.82483	0.9
282.08911	6.9
293.08096	3.2
296.10593	1.5
297.11191	24.8
307.09586	1.6
309.07629	3.1
334.10648	1.2
342.16998	11.8
360.06219	0.9
461.12201	6.7
506.18130	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40794	0.2
58.06593	1.7
60.10305	0.3
69.03420	1.1
70.06566	0.3
81.03409	1.1
85.02937	1.8
85.03354	0.2
88.12897	0.2
91.05456	1.6
97.02900	0.3
99.04453	1.0
108.39616	0.2
109.02875	0.4
119.04930	5.4
127.03875	0.5
130.08649	0.3
147.04405	100.0
165.05472	2.4
173.16647	0.2
191.09377	0.4
192.10164	2.7
235.29099	0.2
253.08592	0.6
267.06403	0.4
281.08072	5.8
284.06796	0.6
299.09140	0.3
309.09653	7.0
314.08765	0.3
344.07776	0.3
344.14825	0.5
462.85248	0.3
471.14526	0.5
488.17441	1.1
506.20404	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
58.06579	0.7
58.82032	0.4
61.02948	0.3
69.03429	1.4
70.06584	0.6
72.65656	0.3
81.03426	0.6
84.08144	0.4
85.02900	4.4
90.94981	0.3
91.05448	0.4
97.02878	1.6
99.04451	2.5
107.04926	0.7
109.02837	1.4
113.03467	1.6
119.04920	6.0
127.03903	1.9
137.06013	0.4
145.04936	0.5
147.04410	100.0
147.19856	0.4
163.06065	0.7
164.07028	0.8
165.05463	4.0
175.07481	0.5
177.05438	0.5
182.22041	0.4
226.97409	0.4
245.07890	0.6
255.10384	0.4
273.07587	0.6
291.08487	0.9
309.09647	7.1
310.06833	0.6
326.10172	1.5
327.10736	0.5
344.15002	0.7
366.59741	0.4
376.93896	0.4
381.37149	0.4
390.04874	0.4
394.72229	0.4
448.40472	0.4
471.14871	0.4
488.17349	0.4
506.20566	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92075	0.3
67.05492	0.3
70.06590	0.6
77.03941	0.5
81.03445	0.5
82.69615	0.3
82.92990	0.3
85.02910	2.2
86.09689	0.3
91.05484	6.8
93.07034	3.6
95.04953	1.8
96.04507	0.5
97.02943	0.4
98.01492	0.3
99.04436	0.6
103.05495	2.7
107.04962	8.0
108.04476	0.4
109.02842	0.4
112.78044	0.3
119.04937	15.7
119.05740	0.8
121.06509	100.0
122.06031	21.5
125.04721	0.8
126.05480	3.1
131.04857	0.5
144.06575	0.8
147.04416	19.8
148.07567	6.0
150.09117	1.4
155.72403	0.3
157.03960	1.7
162.07620	0.8
165.43625	0.4
170.90334	0.4
175.03906	79.9
176.04294	0.5
177.05414	0.5
179.07048	1.4
192.10083	0.4
207.06528	82.4
228.10225	2.2
246.11246	10.4
246.13556	0.7
264.12335	3.3
279.08813	0.4
282.13339	9.1
356.84192	0.4
470.18097	34.4
488.19156	33.9
506.20288	33.8
516.54065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95671	0.4
51.33469	0.3
58.06594	1.9
67.05498	0.5
68.09895	0.3
68.92023	0.3
70.06600	0.4
80.04965	0.4
81.03416	0.4
85.02909	2.2
91.05475	7.1
93.07033	4.4
95.04959	2.7
99.04469	0.5
103.05465	2.3
107.04958	9.5
108.04510	0.6
109.02916	0.4
119.04946	15.4
121.06503	100.0
122.05141	0.9
122.06022	23.3
125.04723	0.9
126.05537	4.5
127.03899	0.6
137.02348	4.4
138.05577	0.4
144.06595	0.4
147.04408	22.8
148.07576	6.1
150.09172	2.0
157.03969	0.8
162.07582	0.8
175.03902	77.3
177.05544	0.8
179.06993	0.5
185.77499	0.5
207.06519	81.0
227.52745	0.5
228.10252	1.8
246.11215	9.2
264.12247	3.7
265.08530	0.9
282.13339	8.5
297.11127	0.7
422.26437	1.6
468.15253	0.5
470.18115	32.4
488.19156	26.8
506.20184	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41116	0.8
69.03420	1.5
77.46410	0.9
81.03422	1.0
85.02920	3.9
85.12752	0.9
85.46162	0.9
92.21058	0.9
97.02936	1.0
110.43111	0.9
135.04443	4.8
137.06004	2.2
151.07538	9.5
163.03893	1.8
172.95308	1.0
179.09334	1.1
180.10236	3.9
190.08632	32.6
191.09377	17.8
192.10229	7.4
208.09694	12.0
208.53122	0.9
208.63751	0.9
277.08679	4.3
295.09805	3.9
311.11279	1.2
313.10687	1.8
319.68610	1.2
326.09720	1.6
326.13904	9.6
329.12921	1.2
344.14890	76.8
457.08978	1.2
506.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2017
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
66.06390	0.7
69.03435	1.1
74.86134	0.8
85.02887	1.6
91.93735	0.7
97.02905	0.8
102.73206	0.7
128.40289	0.8
135.04442	5.9
137.06000	3.2
148.49760	0.8
151.07544	10.7
153.05499	1.8
163.03877	1.0
164.07101	1.0
180.10239	6.5
190.08632	39.3
191.09430	19.4
192.10199	6.0
194.11810	1.2
195.07959	0.8
208.09679	14.3
241.08672	1.1
249.09099	1.2
253.08667	1.3
257.08014	1.1
263.06967	0.9
277.08612	3.5
294.11212	1.3
295.09497	5.9
311.11642	0.8
313.10760	1.7
326.13742	13.4
344.14908	79.3
486.73358	0.9
506.20236	100.0
519.85413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95671	0.4
51.33469	0.3
58.06594	1.9
67.05498	0.5
68.09895	0.3
68.92023	0.3
70.06600	0.4
80.04965	0.4
81.03416	0.4
85.02909	2.2
91.05475	7.1
93.07033	4.4
95.04959	2.7
99.04469	0.5
103.05465	2.3
107.04958	9.5
108.04510	0.6
109.02916	0.4
119.04946	15.4
121.06503	100.0
122.05141	0.9
122.06022	23.3
125.04723	0.9
126.05537	4.5
127.03899	0.6
137.02348	4.4
138.05577	0.4
144.06595	0.4
147.04408	22.8
148.07576	6.1
150.09172	2.0
157.03969	0.8
162.07582	0.8
175.03902	77.3
177.05544	0.8
179.06993	0.5
185.77499	0.5
207.06519	81.0
227.52745	0.5
228.10252	1.8
246.11215	9.2
264.12247	3.7
265.08530	0.9
282.13339	8.5
297.11127	0.7
422.26437	1.6
468.15253	0.5
470.18115	32.4
488.19156	26.8
506.20184	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98073	0.6
52.49089	0.7
69.03426	1.3
75.39874	0.9
81.03443	0.8
83.44282	0.6
85.02924	4.6
86.41039	0.8
100.86107	0.8
107.04970	2.9
129.65492	0.8
137.06032	4.7
146.61971	0.8
149.05977	11.5
151.07574	4.3
161.06091	1.2
163.07568	4.3
164.08034	1.0
167.07079	3.4
176.07062	49.7
177.05615	3.5
177.07831	6.2
178.08636	6.8
194.08092	17.3
194.13142	1.0
195.10222	1.4
196.10587	1.3
208.06056	4.2
235.07578	4.1
251.07225	1.0
257.08234	1.0
263.07004	12.5
274.92130	0.8
283.09772	1.5
285.11386	1.4
293.07071	1.5
295.09775	1.3
296.09308	3.6
298.10815	1.1
308.09192	15.8
308.12378	1.1
311.11560	3.3
313.10806	4.2
326.10284	11.8
326.14026	18.8
344.11234	5.5
344.14911	53.2
488.18646	1.0
506.20383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84725	0.8
59.69831	0.7
63.83158	0.9
82.75524	0.8
85.02917	1.3
116.35449	0.8
119.05046	1.1
129.38358	0.8
135.04427	5.2
137.05980	2.2
137.67786	1.0
142.12389	0.8
151.07552	8.3
163.03915	1.9
180.10204	3.2
190.08620	30.2
191.09407	14.9
192.10112	7.3
208.09653	8.5
277.08658	3.8
285.11304	1.3
295.09775	4.4
313.10709	1.2
326.13937	8.7
344.14896	67.3
395.00827	1.0
506.20209	100.0
520.17944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23538	0.3
57.03448	0.3
63.77770	0.3
69.03402	0.7
72.09080	0.3
73.02859	0.3
85.02869	2.0
87.19966	0.3
91.05455	0.5
95.38464	0.3
97.02873	0.4
100.04184	0.3
123.04385	0.4
127.03927	0.4
135.04405	5.0
137.05983	2.6
151.07527	8.4
153.05334	0.5
160.07448	0.4
163.03877	2.4
163.07536	0.4
166.16458	0.4
176.07047	0.4
178.90225	0.3
179.09435	0.6
180.10155	4.5
182.11664	0.4
190.08621	33.5
191.09401	17.0
192.10165	6.6
195.07968	0.6
207.08075	0.4
208.09677	10.5
235.07454	0.6
241.08636	0.5
245.05603	0.4
249.09149	2.3
253.08524	2.0
263.07071	1.3
267.10016	0.5
273.11053	0.4
277.08563	3.9
283.09625	0.7
285.11273	1.6
294.11322	0.5
295.09644	3.2
297.11227	0.5
311.11615	1.6
313.10748	2.9
326.13846	9.0
344.14905	68.6
506.20215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34063	0.8
60.73854	0.9
61.59442	1.0
63.78455	1.0
69.03436	1.2
69.65500	1.1
72.92735	1.0
78.55297	1.0
83.10321	1.0
85.02896	1.8
104.20638	1.0
112.76868	1.1
120.52716	1.1
135.04434	4.5
151.07535	4.2
180.10254	2.3
190.06017	1.1
190.08614	28.4
190.10173	1.5
191.09366	11.0
192.10185	7.8
192.82571	1.1
195.48039	1.2
208.09698	8.6
241.08702	1.1
249.74605	1.0
277.08640	2.4
294.11301	2.1
295.09622	2.4
313.10947	2.0
326.13916	8.1
344.11035	1.6
344.14920	53.9
506.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	19.1
61.44208	1.0
97.02886	1.3
121.02865	25.0
147.04422	2.2
149.06076	1.2
151.07639	1.3
164.07088	1.9
167.06873	1.4
176.07172	2.0
177.05492	12.8
178.08661	2.3
180.06450	1.6
190.05034	1.2
194.08197	2.8
205.05043	1.5
237.07883	2.8
253.08592	4.6
265.07474	1.3
266.08301	1.4
271.09650	20.4
281.07932	5.9
282.07626	2.5
283.09619	14.9
293.06885	6.6
294.07581	27.4
295.08368	9.1
298.06995	1.5
299.09216	21.1
310.07141	12.2
311.07883	28.4
312.01486	1.1
326.06763	6.0
326.10229	100.0
326.13855	12.4
342.16534	1.6
344.07669	4.6
344.11279	5.1
344.14868	48.8
488.15359	18.2
506.21252	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29619	0.6
57.60680	0.6
65.78191	0.6
69.03439	0.8
74.50612	0.7
85.02895	3.1
92.04813	0.7
97.02948	0.9
114.54977	0.8
127.04021	0.8
135.04436	5.2
137.06010	3.0
151.07536	10.2
157.27429	0.8
163.03963	0.8
180.10167	4.8
190.08621	36.8
191.09404	16.2
192.10249	4.7
194.08134	0.8
204.06306	0.9
208.09705	10.4
241.08521	0.9
249.09119	0.9
253.08669	1.0
263.07019	1.0
277.08597	3.7
285.11319	1.4
295.09558	3.6
313.10785	1.1
326.13766	11.5
344.14920	68.3
506.20203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
55.75353	0.5
56.26675	0.5
60.77251	0.6
64.73052	0.6
65.25131	0.5
66.33983	0.7
71.99089	0.6
72.22862	0.7
85.02921	1.2
85.46924	0.6
86.71603	0.6
91.33842	0.6
97.02888	0.7
127.03976	1.0
135.04433	4.0
137.05998	3.5
149.71671	0.6
151.07532	6.9
163.03859	0.9
180.10175	4.6
190.08627	46.7
191.09392	14.6
192.10179	6.4
193.87393	0.6
208.09709	8.9
223.07635	0.9
249.09167	3.0
253.08644	0.8
257.08267	0.7
263.07062	1.2
277.08545	5.7
281.08130	0.7
285.11154	1.4
295.09531	4.8
297.11331	0.7
303.86606	0.6
311.11536	1.2
313.10638	3.6
326.13919	17.3
344.14920	43.3
344.19119	1.4
506.20218	100.0
520.25812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2021
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
63.25113	0.4
69.03428	0.5
79.06535	0.5
81.03413	0.5
85.02912	1.2
97.02924	0.7
98.62713	0.4
117.06846	0.5
127.03969	0.5
128.39049	0.6
135.04413	4.7
137.06001	2.5
142.31990	0.5
151.07524	8.4
163.03906	0.7
175.06339	0.5
177.07916	0.7
180.10156	4.1
182.11823	0.8
190.08624	30.0
191.09410	16.9
191.11002	0.8
192.10141	5.3
195.08015	0.7
208.09697	11.0
213.09116	0.8
233.06168	0.5
241.08647	1.1
249.09093	1.8
253.08640	0.8
263.06894	1.7
277.08652	2.9
283.09738	0.8
285.11377	0.8
289.10492	0.5
295.09702	4.1
311.11414	0.7
313.10730	2.6
326.13901	7.5
344.14914	55.5
411.54312	0.6
456.04608	0.5
506.20236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34319	0.4
56.94277	0.4
60.67971	0.4
67.66628	0.5
68.65020	0.5
69.03413	0.7
85.02905	2.1
91.76295	0.5
97.02879	0.9
97.29401	0.6
109.40253	0.6
110.35777	0.5
135.04393	4.0
137.05984	3.3
149.34766	0.5
151.07530	6.8
153.05470	1.0
164.88184	0.5
175.06259	0.6
175.76039	0.5
176.07115	1.0
180.10132	5.1
190.08618	30.1
191.09381	15.3
192.10188	6.3
208.09697	10.2
222.20999	0.5
223.07535	0.5
235.07571	0.6
241.29678	0.6
249.09114	1.2
253.08582	1.3
263.07043	1.1
273.11084	0.5
277.08661	2.6
285.11255	1.1
295.09665	3.3
298.15189	0.6
311.11398	0.7
313.10779	1.0
326.13895	8.9
344.14896	64.8
370.75089	0.5
424.52872	0.6
506.20184	100.0
518.61902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
58.06601	0.3
62.19116	0.3
65.03946	0.4
81.03392	1.5
85.02894	2.1
91.05475	6.9
93.07049	4.7
95.04973	1.6
96.04472	0.4
99.04456	0.6
103.05467	2.6
105.04533	0.4
107.04963	10.8
108.04442	0.6
109.02858	0.4
115.04082	0.4
119.04940	14.8
121.06505	100.0
122.06031	20.5
124.81565	0.3
125.04737	1.6
126.05540	3.2
131.04907	0.3
144.06537	1.3
147.04404	21.6
148.07578	5.7
150.09166	1.9
157.03972	2.1
162.07600	0.4
164.34917	0.4
175.03900	78.2
192.10272	0.6
192.79970	0.4
202.69310	0.4
207.06525	81.2
224.07036	0.4
225.07581	1.3
228.10168	1.6
246.11261	10.3
263.15253	0.4
264.12277	3.7
282.13385	9.1
296.05637	1.7
297.05664	3.0
300.14478	0.6
323.10446	0.4
324.10706	1.3
452.17709	0.7
470.18103	32.9
488.19171	28.8
506.20444	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98073	0.6
52.49089	0.7
69.03426	1.3
75.39874	0.9
81.03443	0.8
83.44282	0.6
85.02924	4.6
86.41039	0.8
100.86107	0.8
107.04970	2.9
129.65492	0.8
137.06032	4.7
146.61971	0.8
149.05977	11.5
151.07574	4.3
161.06091	1.2
163.07568	4.3
164.08034	1.0
167.07079	3.4
176.07062	49.7
177.05615	3.5
177.07831	6.2
178.08636	6.8
194.08092	17.3
194.13142	1.0
195.10222	1.4
196.10587	1.3
208.06056	4.2
235.07578	4.1
251.07225	1.0
257.08234	1.0
263.07004	12.5
274.92130	0.8
283.09772	1.5
285.11386	1.4
293.07071	1.5
295.09775	1.3
296.09308	3.6
298.10815	1.1
308.09192	15.8
308.12378	1.1
311.11560	3.3
313.10806	4.2
326.10284	11.8
326.14026	18.8
344.11234	5.5
344.14911	53.2
488.18646	1.0
506.20383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24308	0.3
58.06600	1.7
60.62137	0.4
63.78579	0.4
65.47155	0.4
69.03427	0.6
70.85870	0.4
75.13138	0.4
85.02908	0.8
97.02863	0.5
112.05038	0.6
123.04406	0.7
136.94379	0.5
137.05988	4.3
142.01866	0.5
149.05983	7.2
151.07509	4.3
161.05934	0.5
165.07881	1.7
166.08635	1.8
167.07077	0.8
176.07060	38.8
177.05521	3.5
177.07809	9.7
177.09138	0.6
178.08623	7.2
180.10226	0.6
190.08687	1.0
192.10240	0.7
194.08122	16.5
194.09853	0.6
203.07066	0.6
208.09731	0.9
235.07535	4.1
245.08058	0.5
253.08603	1.1
257.08069	1.0
263.07031	9.9
273.07632	0.5
277.08688	0.6
280.07388	0.5
281.07886	0.6
283.09598	1.0
285.11252	3.4
291.08701	0.8
295.09692	2.2
296.09177	0.4
297.11404	0.5
308.12933	0.5
309.09949	1.9
311.11450	3.6
313.10654	4.4
324.12207	3.6
326.13846	17.7
344.14886	74.0
488.19324	2.8
506.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2025
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
50.24187	0.8
51.82375	0.8
54.35926	0.8
58.06607	45.3
58.60590	0.8
67.39155	0.9
67.49431	0.8
67.74744	0.8
68.89664	0.8
69.03431	1.3
70.06609	0.7
70.79332	1.0
75.53502	0.9
77.20377	0.9
85.02928	4.1
87.04450	1.2
88.93662	0.9
111.77940	0.9
115.05514	1.2
119.04923	1.1
121.02864	5.3
127.03878	1.5
127.82339	1.0
137.05984	19.2
143.04936	4.8
151.07562	8.3
154.63438	1.0
164.07071	1.0
165.09076	1.0
175.07530	10.0
176.07021	1.8
178.08664	5.7
183.07669	0.9
190.05070	1.6
190.08647	23.0
191.09406	6.5
192.10213	7.4
193.10738	2.1
208.09669	4.7
237.07863	4.9
241.12236	1.1
264.89337	1.2
265.07355	2.3
267.10178	1.6
271.09634	4.8
277.08591	1.6
282.07700	1.6
283.09534	2.3
293.06805	6.5
294.07657	28.1
295.08353	8.3
299.09210	4.6
299.12839	6.2
308.09216	1.3
310.07236	12.4
311.07892	29.4
326.10263	100.0
326.13892	12.6
344.11206	20.5
344.14938	34.4
344.18643	10.5
352.64056	1.1
488.15234	5.5
506.19547	38.4
506.23264	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.216
Annotation	Rocaglamide
Peak:m/z	Relative Intensity
53.70553	1.0
56.54816	1.0
58.06609	33.5
67.84132	1.1
76.34393	1.2
124.10748	1.1
137.06102	1.3
148.22827	1.1
161.01556	1.1
191.08618	1.9
208.08975	1.3
219.08105	8.4
220.08887	5.1
221.09637	1.7
223.11227	2.7
233.09712	5.1
236.08282	12.2
247.07628	7.1
248.08456	5.1
250.09840	1.3
251.10686	15.6
263.07159	5.1
264.07935	7.7
277.05002	2.5
279.10153	26.5
292.07315	26.7
307.09659	10.1
320.09219	10.8
329.03027	1.6
334.10953	2.7
336.12332	5.8
400.43243	1.7
414.10803	1.5
429.13364	2.8
446.13785	11.0
461.15958	13.1
506.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.217
Annotation	Hernandaline
Peak:m/z	Relative Intensity
55.05540	0.5
67.05508	0.9
82.97368	0.6
89.85669	0.6
97.10168	1.0
109.54562	0.7
111.04450	1.4
121.27888	0.6
125.09641	2.6
153.12843	0.7
159.10378	1.0
181.12288	1.4
190.08667	1.2
191.10701	0.8
192.10306	0.8
204.10320	1.2
205.11021	4.1
206.11864	1.3
215.07124	3.5
219.82672	0.7
227.12810	5.4
241.04999	0.7
257.11801	1.0
290.08063	1.6
291.08487	1.3
292.09729	2.6
304.06137	1.0
305.06635	1.2
318.07675	2.5
319.08173	11.6
320.09116	70.5
321.10022	4.7
322.10498	0.8
322.26895	0.7
334.10718	24.2
334.14597	1.0
335.11301	38.8
336.12265	40.3
337.12756	1.1
338.13919	1.1
453.24783	2.8
460.21310	1.1
462.19250	1.2
471.25943	3.3
474.19373	0.9
491.19647	1.3
506.21783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70553	1.0
56.54816	1.0
58.06609	33.5
67.84132	1.1
76.34393	1.2
124.10748	1.1
137.06102	1.3
148.22827	1.1
161.01556	1.1
191.08618	1.9
208.08975	1.3
219.08105	8.4
220.08887	5.1
221.09637	1.7
223.11227	2.7
233.09712	5.1
236.08282	12.2
247.07628	7.1
248.08456	5.1
250.09840	1.3
251.10686	15.6
263.07159	5.1
264.07935	7.7
277.05002	2.5
279.10153	26.5
292.07315	26.7
307.09659	10.1
320.09219	10.8
329.03027	1.6
334.10953	2.7
336.12332	5.8
400.43243	1.7
414.10803	1.5
429.13364	2.8
446.13785	11.0
461.15958	13.1
506.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2173
Annotation	Hernandaline
Peak:m/z	Relative Intensity
105.88552	0.8
110.45432	0.7
208.38954	0.8
292.09662	6.4
304.09381	1.5
306.07449	1.2
308.12421	4.3
316.09451	0.9
317.10144	3.8
320.09262	10.9
321.06717	0.9
321.09955	17.0
322.10483	1.7
327.08865	0.8
330.11139	2.4
334.10641	1.6
335.11441	6.0
336.12277	49.5
337.13055	12.2
348.08670	11.7
348.12405	1.8
352.15445	27.4
358.10498	1.2
362.10196	16.8
376.11722	15.1
432.17526	2.9
446.19357	3.3
462.18741	1.1
474.18961	6.2
476.17044	6.2
506.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43920	0.4
75.99009	0.5
104.05731	0.4
107.55309	0.6
108.26335	0.5
120.56635	0.5
120.58690	0.5
139.48398	0.6
143.95370	0.6
207.07201	0.6
229.04968	0.6
236.29352	0.5
292.09683	4.2
304.09641	1.0
306.07663	1.2
306.10968	0.9
317.10635	4.3
318.11002	0.8
320.09192	11.1
321.09885	7.0
322.10764	0.6
327.00772	0.7
330.11099	0.9
334.10666	1.2
335.11432	7.1
336.12265	9.7
337.13058	2.0
344.09061	0.6
348.08643	18.2
348.12323	3.0
352.15417	3.3
358.10706	2.3
362.10217	22.5
362.14044	0.8
376.11743	16.0
418.16354	1.2
432.18008	3.3
446.19455	4.7
448.17636	2.3
460.17413	0.6
474.19113	8.6
476.16925	5.0
506.21570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67524	0.5
54.92976	0.6
55.18922	0.6
57.79046	0.5
58.18995	0.5
89.71227	0.7
103.19868	0.6
112.91850	0.7
139.63142	0.6
153.52737	0.6
278.07925	0.8
292.09723	8.6
304.09613	1.4
306.07687	3.1
320.09177	11.9
321.09940	33.4
336.12283	100.0
338.13913	0.7
458.93039	0.7
470.66406	0.8
484.73276	0.7
506.21796	52.2
509.91550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59748	0.6
69.07061	0.9
71.15824	0.6
75.33991	0.6
81.07062	1.1
87.74029	0.6
95.08608	0.6
109.68791	0.7
122.02592	0.6
133.10107	0.7
161.05995	0.7
194.27936	0.8
225.92471	0.8
230.11469	0.7
231.10143	0.9
241.04482	0.7
273.14429	0.9
292.09641	4.5
304.09528	1.2
306.07666	1.1
308.12936	5.7
320.09360	8.4
321.09955	21.6
322.10635	2.8
326.80997	0.8
336.12296	100.0
337.13101	11.8
348.08502	0.8
348.21176	0.9
352.11072	1.1
352.15427	32.0
362.10312	1.3
376.11798	1.2
485.97162	0.8
489.28430	0.8
506.21014	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2174
Annotation	Hernandaline
Peak:m/z	Relative Intensity
56.15100	0.4
59.21701	0.4
75.80803	0.5
77.66806	0.6
96.62582	0.5
104.24654	0.5
165.38139	0.6
194.27841	0.6
196.60211	0.8
269.17786	0.5
292.09662	7.9
304.09607	1.1
306.07697	2.8
313.97311	0.5
320.09265	10.4
321.09937	32.2
336.12277	100.0
506.21802	60.3
506.29456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2174
Annotation	Hernandaline
Peak:m/z	Relative Intensity
57.60543	1.0
58.06602	1.5
73.67619	0.8
87.67812	0.9
92.21655	1.0
95.08609	1.0
110.71904	0.9
113.90597	1.0
121.06484	1.3
123.34570	1.0
124.98746	1.1
140.29501	1.1
217.41579	1.0
239.33900	1.3
246.28017	1.2
304.06207	1.0
318.07632	2.0
319.08478	7.0
320.09146	21.8
320.12659	1.1
321.09808	4.5
332.09369	5.5
334.10754	15.0
335.11548	3.7
336.12274	46.9
348.12479	5.9
360.12567	1.9
362.14154	1.9
374.10367	2.2
392.11331	1.9
446.19547	1.2
460.21423	2.2
462.22992	8.0
476.21536	1.0
488.20773	9.9
490.18539	1.3
506.21860	100.0
522.18823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52735	0.5
58.06607	63.4
69.03442	0.9
85.02912	2.1
97.02926	0.9
127.03938	0.6
137.05978	23.1
143.04919	9.2
145.06487	0.8
149.05960	0.6
151.07547	9.8
165.09155	2.8
175.07532	23.2
175.08983	0.8
176.07109	0.6
177.09198	1.1
190.08701	2.7
192.10159	3.7
193.10922	1.2
206.11743	0.6
207.08046	1.2
235.07607	1.2
239.10738	2.1
241.12332	1.8
267.10229	2.6
269.11835	2.1
294.07724	2.5
295.08362	0.6
299.12823	9.8
301.14484	3.0
310.07190	0.8
311.07684	3.5
312.16129	1.0
326.10269	9.1
326.13675	1.0
344.11505	1.8
344.14920	4.0
344.18747	23.8
410.49008	0.6
506.24017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52735	0.5
58.06607	63.4
69.03442	0.9
85.02912	2.1
97.02926	0.9
127.03938	0.6
137.05978	23.1
143.04919	9.2
145.06487	0.8
149.05960	0.6
151.07547	9.8
165.09155	2.8
175.07532	23.2
175.08983	0.8
176.07109	0.6
177.09198	1.1
190.08701	2.7
192.10159	3.7
193.10922	1.2
206.11743	0.6
207.08046	1.2
235.07607	1.2
239.10738	2.1
241.12332	1.8
267.10229	2.6
269.11835	2.1
294.07724	2.5
295.08362	0.6
299.12823	9.8
301.14484	3.0
310.07190	0.8
311.07684	3.5
312.16129	1.0
326.10269	9.1
326.13675	1.0
344.11505	1.8
344.14920	4.0
344.18747	23.8
410.49008	0.6
506.24017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52735	0.5
58.06607	63.4
69.03442	0.9
85.02912	2.1
97.02926	0.9
127.03938	0.6
137.05978	23.1
143.04919	9.2
145.06487	0.8
149.05960	0.6
151.07547	9.8
165.09155	2.8
175.07532	23.2
175.08983	0.8
176.07109	0.6
177.09198	1.1
190.08701	2.7
192.10159	3.7
193.10922	1.2
206.11743	0.6
207.08046	1.2
235.07607	1.2
239.10738	2.1
241.12332	1.8
267.10229	2.6
269.11835	2.1
294.07724	2.5
295.08362	0.6
299.12823	9.8
301.14484	3.0
310.07190	0.8
311.07684	3.5
312.16129	1.0
326.10269	9.1
326.13675	1.0
344.11505	1.8
344.14920	4.0
344.18747	23.8
410.49008	0.6
506.24017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62570	0.4
61.08475	0.4
67.05466	0.6
67.83022	0.4
72.28788	0.5
79.05466	0.6
86.99326	0.5
119.08555	0.5
149.65054	0.5
292.09647	10.6
304.09747	0.7
306.07651	3.5
316.72894	0.6
317.10263	1.1
320.09091	12.5
321.09952	31.5
334.10742	0.6
335.11597	0.8
336.12283	100.0
348.12561	1.8
476.20703	0.7
506.25372	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62570	0.4
61.08475	0.4
67.05466	0.6
67.83022	0.4
72.28788	0.5
79.05466	0.6
86.99326	0.5
119.08555	0.5
149.65054	0.5
292.09647	10.6
304.09747	0.7
306.07651	3.5
316.72894	0.6
317.10263	1.1
320.09091	12.5
321.09952	31.5
334.10742	0.6
335.11597	0.8
336.12283	100.0
348.12561	1.8
476.20703	0.7
506.25372	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56021	0.7
54.55321	0.9
59.76105	0.8
68.89106	0.9
73.02943	1.1
76.45109	0.9
102.93398	0.9
109.10191	1.0
119.08566	2.4
165.09111	1.4
171.67722	1.2
230.12059	1.1
240.88499	1.0
292.09793	1.2
294.11200	1.2
308.12726	14.3
320.09167	49.1
320.12448	2.2
321.09796	4.4
322.10721	7.1
323.11392	1.6
334.10614	5.1
335.11316	1.6
336.12289	87.8
337.13071	36.0
338.14005	3.7
349.09549	1.1
352.15402	100.0
506.25763	95.0
506.36331	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3238
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
52.27463	1.1
60.08166	12.5
63.07528	1.1
67.05519	1.6
72.04514	1.7
72.43888	1.8
75.15742	1.2
81.07047	2.8
86.09225	2.0
86.09708	38.4
89.66801	1.2
98.89138	1.2
104.10746	85.5
104.11446	3.2
125.00005	18.5
163.19197	1.2
164.26450	1.5
184.07329	100.0
198.41568	1.4
300.19919	1.7
308.72113	1.4
334.81500	1.3
336.12137	2.2
488.31152	5.5
506.32306	68.1
522.62946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52417	0.3
53.79932	0.3
55.25086	0.3
60.08166	4.9
60.46962	0.4
62.43518	0.3
67.05505	0.4
67.32510	0.3
68.76527	0.3
69.07066	0.4
71.07368	0.6
72.74879	0.3
86.09705	23.5
91.22594	0.3
95.08636	0.4
101.80303	0.4
104.10749	2.0
115.91764	0.3
116.12431	0.4
117.12070	0.4
124.99993	10.6
184.07333	100.0
208.73410	0.4
260.84521	0.4
296.59946	0.4
320.09161	1.6
321.09796	0.4
336.12296	16.9
488.31329	0.8
506.25183	6.3
506.32367	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3239
Annotation	(-)-Terpendole D
Peak:m/z	Relative Intensity
55.62365	0.4
58.06603	0.3
59.41557	0.3
60.08169	12.8
63.75401	0.3
64.66093	0.3
66.22542	0.4
67.05499	2.1
69.07063	1.6
71.07375	2.6
76.62428	0.4
81.07056	2.5
83.08638	0.5
86.09705	38.4
93.07014	0.4
95.08576	2.0
97.71829	0.3
98.98421	0.5
104.10744	84.3
105.47286	0.3
107.08595	0.4
109.10156	0.6
115.36991	0.3
121.10109	0.5
124.99095	0.7
124.99995	16.8
135.11674	0.4
135.94470	0.4
147.43948	0.4
156.42520	0.4
161.13159	0.4
163.01541	0.8
176.07062	0.4
184.07332	100.0
242.81886	0.3
252.65311	0.4
253.99147	0.4
258.10928	0.7
336.12228	0.5
397.88699	0.4
488.31342	6.3
506.32401	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
56.05034	2.3
57.03448	1.5
57.05677	0.9
57.07067	1.8
58.02939	1.4
60.04509	1.3
60.08167	1.7
66.37516	1.1
66.51708	1.0
67.05511	14.9
68.78793	0.9
69.03424	1.7
69.07060	6.8
71.04996	1.4
72.04523	18.7
73.02917	1.8
74.06091	2.2
75.41271	1.0
79.05488	5.4
81.07063	15.6
82.06548	1.1
83.08607	4.9
84.04496	6.6
85.02893	6.3
86.06057	5.4
86.09723	9.0
89.78307	1.2
89.93652	1.1
93.07042	6.4
95.08596	13.2
96.04475	1.3
97.02895	2.8
97.10149	2.0
98.06035	1.4
99.04459	1.2
100.07608	1.5
102.05528	1.8
104.10744	20.5
105.07031	4.5
105.31949	1.2
107.08585	4.5
109.10184	9.0
111.08032	1.6
112.07713	1.0
114.05502	1.4
119.08570	2.5
121.10127	8.6
123.11689	2.8
124.99969	2.4
126.05513	1.5
128.45097	1.0
133.10097	5.6
135.11664	6.3
137.13251	1.4
145.04906	1.3
161.13271	1.4
166.48529	1.3
184.07346	22.4
185.73161	1.4
186.07497	1.5
195.00305	2.3
204.08672	5.1
216.08833	1.3
217.19478	7.6
235.20555	9.4
309.24213	4.5
321.09970	1.5
336.12201	5.0
380.27917	7.7
488.32123	16.5
506.25516	15.8
506.32990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52168	1.9
55.05521	5.6
57.07079	13.1
62.63877	2.3
66.39130	2.2
67.05515	48.6
69.07064	14.3
71.08640	4.0
79.05489	11.9
81.07067	77.9
83.08620	16.6
85.02900	5.2
85.06548	4.3
85.10202	3.4
91.03964	4.7
91.05483	12.5
92.21538	2.8
93.07055	20.8
95.08606	70.8
97.06576	4.2
97.10183	12.0
99.08099	9.2
105.07048	10.1
107.08601	13.3
109.10171	28.9
111.11732	2.8
113.09647	4.2
114.67930	2.2
119.08592	17.4
121.10139	21.3
123.08085	2.7
123.11676	18.0
127.11205	3.9
127.21859	2.1
133.10129	24.8
135.11703	27.9
137.13254	15.3
147.11714	18.1
151.14842	13.2
153.12740	2.3
156.03568	2.5
161.13254	19.6
175.14845	5.4
217.19530	61.7
235.20555	100.0
237.22198	2.6
281.16681	2.7
301.85315	2.8
309.24216	20.1
327.25253	20.2
336.12274	4.0
339.88211	2.8
342.74585	2.8
506.36426	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29144	0.2
61.19880	0.2
80.57127	0.2
80.81458	0.2
86.08076	0.3
118.28750	0.3
135.47012	0.3
135.86832	0.3
145.09781	0.2
151.20448	0.3
165.21770	0.3
182.11502	0.3
206.30707	0.3
275.56314	0.3
280.72235	0.3
290.08136	8.4
302.08228	2.6
304.06015	6.7
318.07605	10.1
319.08389	43.6
334.10727	100.0
391.10458	0.2
507.12213	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70695	0.4
62.71104	0.4
114.09252	0.5
114.18483	0.4
156.92908	0.5
208.66650	0.7
276.06503	0.7
290.08096	10.2
302.08157	2.7
304.06027	8.4
318.07550	10.7
319.08371	45.4
320.08774	0.9
334.10703	100.0
336.11575	0.7
507.12183	12.2
507.19794	0.8
507.22522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1496
Annotation	LMPK12140436
Peak:m/z	Relative Intensity
57.33399	1.1
65.23376	1.2
68.80360	1.2
69.03438	17.3
69.49554	1.3
71.05006	2.1
81.03412	2.6
85.02908	20.4
90.27511	1.3
97.02884	13.5
99.04449	7.1
109.02880	44.0
110.08521	1.5
121.02875	1.8
127.03900	26.8
139.03906	2.3
145.04974	9.5
161.63536	1.5
167.02094	1.9
167.03407	38.6
169.04939	2.8
187.06027	3.1
205.07079	17.4
209.04443	36.8
256.47000	1.5
257.08063	73.1
285.07562	100.0
303.08618	39.3
319.08350	1.9
320.09048	2.5
321.09933	1.7
334.10672	2.0
336.12180	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37978	0.7
54.83502	0.8
62.53526	0.8
71.46741	1.0
77.41528	0.9
81.13888	0.9
161.05933	1.6
174.05511	1.1
181.97961	1.1
198.35312	1.1
216.14633	1.2
257.98785	1.0
262.59888	1.1
305.06815	1.3
306.07587	1.3
313.37683	1.0
319.08215	1.6
320.09073	10.9
321.09668	1.5
334.10764	4.4
335.11127	1.7
336.12180	4.4
337.12787	1.6
359.60248	1.0
438.25775	1.2
449.11322	9.2
450.68903	1.0
461.11285	1.8
463.12885	5.6
467.00323	1.3
473.11331	9.7
475.12585	4.2
477.10748	24.9
491.12399	44.2
491.19388	2.2
492.13101	5.2
507.15485	100.0
507.21701	4.8
507.33899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37978	0.7
54.83502	0.8
62.53526	0.8
71.46741	1.0
77.41528	0.9
81.13888	0.9
161.05933	1.6
174.05511	1.1
181.97961	1.1
198.35312	1.1
216.14633	1.2
257.98785	1.0
262.59888	1.1
305.06815	1.3
306.07587	1.3
313.37683	1.0
319.08215	1.6
320.09073	10.9
321.09668	1.5
334.10764	4.4
335.11127	1.7
336.12180	4.4
337.12787	1.6
359.60248	1.0
438.25775	1.2
449.11322	9.2
450.68903	1.0
461.11285	1.8
463.12885	5.6
467.00323	1.3
473.11331	9.7
475.12585	4.2
477.10748	24.9
491.12399	44.2
491.19388	2.2
492.13101	5.2
507.15485	100.0
507.21701	4.8
507.33899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59722	1.1
58.30168	1.0
62.66912	1.2
64.77883	1.1
67.05513	1.6
72.82371	1.1
74.05020	1.4
81.07043	2.4
95.08591	1.3
96.05358	1.2
105.89207	1.2
107.39615	1.3
136.06186	7.8
152.54262	1.2
178.95045	1.4
200.95099	1.4
230.59198	1.3
282.95370	1.4
339.17462	1.6
507.27179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.4
57.03436	6.6
57.07069	1.1
59.42544	0.6
66.43570	0.6
66.52273	0.6
67.05511	35.5
69.07070	10.5
71.04989	0.7
71.08595	0.7
73.02966	0.7
79.05498	19.7
81.07063	37.0
83.08635	5.9
85.06551	0.9
91.05474	10.8
93.07047	30.6
95.04966	3.1
95.08607	31.3
97.06546	1.7
97.10191	0.9
98.98466	34.6
99.04456	0.8
99.08095	0.8
105.07026	10.9
107.08601	17.6
108.80299	0.8
109.06574	0.9
109.10164	15.3
111.08021	1.0
117.06989	2.8
119.08577	10.1
121.10130	16.4
123.08079	1.2
123.11706	4.8
131.08560	6.7
132.61432	0.7
133.10120	10.4
135.11693	8.6
137.09651	0.8
145.10117	3.7
147.11705	4.5
149.13243	5.9
155.01031	14.5
159.11678	3.0
161.13231	4.9
163.14796	2.9
173.02107	8.3
173.13283	3.6
175.14859	1.4
187.14796	1.5
201.10223	4.5
229.04770	2.6
243.21014	5.2
247.05748	3.2
261.22092	11.0
317.24667	4.8
325.06277	0.8
335.25803	100.0
471.25140	9.4
489.25784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05514	7.1
57.03434	6.9
57.07076	1.0
67.05512	30.3
68.83292	0.9
69.07079	11.3
75.36784	1.0
79.05493	23.3
81.06615	2.1
81.07058	32.7
83.08633	8.4
91.05469	10.3
93.07043	32.2
93.07630	1.2
95.04936	1.7
95.08606	29.4
97.06544	1.9
97.10129	1.3
98.98463	37.5
105.06398	1.6
105.07043	12.2
107.08601	17.0
108.27048	1.1
109.06524	1.3
109.10136	14.1
117.07021	5.9
119.08591	12.2
121.10154	17.5
123.11730	2.2
131.08566	5.2
133.10150	10.8
135.11670	12.4
145.10117	5.2
147.11685	2.3
149.13292	6.3
155.01024	19.3
159.11720	5.5
161.13232	4.5
173.02071	8.2
173.13319	2.5
187.14944	1.2
229.04716	2.1
243.20979	4.5
247.05757	2.3
259.86407	1.1
261.22018	8.8
317.24869	5.0
335.25781	100.0
337.12653	4.3
425.89355	1.2
471.24948	6.4
489.26129	1.4
507.25946	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3313
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
50.41066	6.3
55.05515	22.4
67.05511	53.1
69.03424	23.2
69.07082	22.8
79.05505	24.8
81.07070	59.7
81.50537	5.6
83.08625	26.0
85.02890	6.7
91.05479	12.3
93.07047	50.9
95.04955	6.0
95.08623	50.5
97.06507	8.7
97.10163	26.6
103.37997	4.8
105.07036	22.5
107.08587	49.5
109.06525	7.3
109.10136	21.3
119.08578	25.9
121.10155	27.9
125.09634	6.2
131.08580	8.8
133.10143	12.9
135.11668	20.0
143.08525	6.4
145.10130	21.8
147.11649	23.1
149.13226	10.0
159.11679	11.0
161.13290	8.2
217.26140	7.0
261.22208	10.2
341.16611	5.8
347.73795	6.1
432.96652	6.0
435.23718	6.6
435.75555	7.8
471.31168	8.9
489.32114	23.2
503.67569	6.4
507.32294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3309
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.03958	12.7
55.05511	29.3
55.33559	5.5
57.07078	26.1
67.05502	47.8
69.03432	25.4
69.07060	50.1
71.04964	5.6
71.08601	9.0
73.82680	5.0
74.07865	5.1
79.05495	31.9
81.03417	32.9
81.07070	59.9
83.08631	28.4
87.17516	5.3
88.20194	4.9
91.05470	13.6
93.07027	30.4
95.04982	9.2
95.08591	43.8
95.74465	6.1
97.02895	27.1
97.10159	12.6
99.04449	100.0
105.07043	24.1
107.04913	7.8
107.08581	22.9
109.10154	29.0
117.07052	8.3
119.08569	21.8
121.06476	9.1
121.10131	21.6
123.04475	6.1
123.08080	7.5
123.11671	6.2
127.03871	8.0
131.08563	10.5
133.10158	23.8
135.11726	13.3
145.06425	6.2
147.08063	9.0
147.11693	7.5
149.13271	7.5
177.60760	6.0
186.95760	5.4
215.79272	6.2
225.07722	7.2
230.82703	5.3
261.40598	6.1
319.26288	7.1
345.27600	6.5
355.26239	11.2
373.27219	34.8
391.28418	35.7
424.25766	54.7
471.31152	8.3
489.31808	46.8
507.33328	66.7
507.40057	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51397	0.3
65.26180	0.3
67.05525	1.1
69.07073	0.4
81.07037	2.0
83.04957	0.4
91.05487	0.4
93.07027	0.7
94.44473	0.3
95.08598	3.6
99.04438	1.5
101.06017	0.4
105.07021	0.4
107.08614	0.4
107.66090	0.4
109.10162	3.3
116.16917	0.3
119.08544	1.9
121.10141	0.7
123.08050	0.7
123.11689	2.3
135.11665	0.5
137.05971	0.5
137.09619	6.1
146.06007	0.4
147.11758	0.6
149.05956	0.4
149.09663	0.6
150.36551	0.4
151.07558	0.6
155.10672	0.3
165.09097	100.0
203.10670	0.5
205.12231	2.3
241.09897	0.4
244.06277	0.4
267.19705	0.6
292.09634	0.5
319.22668	0.6
321.09717	0.8
334.10669	2.1
335.10941	0.5
336.12299	3.9
337.12500	2.1
337.23767	2.3
355.25015	0.4
443.31332	1.4
471.31076	1.4
489.32034	2.4
507.20499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29681	3.1
55.05514	8.4
57.07086	6.7
67.05512	43.9
69.03431	30.1
69.03769	3.7
69.07065	19.4
69.52313	3.1
71.16286	3.2
75.36829	3.2
77.29663	3.2
79.05500	37.7
81.03428	32.2
81.07057	74.3
83.04983	8.7
83.08633	8.1
85.02908	6.4
85.06580	4.4
91.05491	18.6
93.07045	52.6
95.04969	13.8
95.08617	56.8
97.02892	7.2
97.06540	5.7
99.04467	7.5
104.27209	3.8
105.07053	37.9
107.08592	40.5
109.06523	5.8
109.10153	23.4
111.04431	5.4
113.06049	6.9
115.04012	4.2
117.07056	6.7
119.08613	28.5
121.10137	34.3
123.04462	8.5
123.11710	5.2
127.03899	7.5
131.08614	13.1
133.10139	28.6
135.11707	18.5
137.78761	3.7
145.10121	20.9
147.08078	5.0
147.11696	20.5
149.13300	8.0
157.10104	4.0
159.11713	20.5
161.13223	16.7
163.07571	4.9
173.13235	19.1
185.42247	3.6
187.14839	6.5
189.16385	4.2
193.08641	8.4
209.13173	5.1
211.09721	5.8
243.21109	4.4
261.22040	18.4
339.60126	3.7
345.27747	4.9
471.30887	7.2
489.32089	43.4
507.33139	100.0
507.40051	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27483	0.9
53.98174	0.9
57.07079	1.0
64.77657	0.8
67.05497	2.2
79.05474	0.9
81.07066	2.3
82.87182	1.0
93.07056	1.5
95.08604	1.2
107.08565	1.5
121.10153	1.5
139.40459	1.1
177.60933	1.1
306.07657	1.2
315.82809	1.2
317.20996	1.7
329.19467	1.1
507.34427	100.0
507.39761	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76385	1.8
55.05515	9.8
55.50289	1.8
57.03452	3.8
57.06817	3.8
57.07081	61.0
57.36374	1.9
64.50313	2.0
67.05502	14.8
69.07059	9.4
71.08633	51.5
76.07975	1.9
79.05488	2.4
81.03407	2.3
81.07050	30.9
83.08197	2.1
83.08629	18.9
85.10181	35.9
86.66322	2.1
89.79781	2.0
93.07056	2.9
94.32284	2.2
95.08603	42.5
97.10184	18.0
107.08612	3.0
109.10147	21.5
112.92609	2.2
123.11716	5.3
128.28502	2.3
144.17023	2.5
146.50970	2.3
162.26465	2.3
253.25259	26.2
327.24957	3.2
327.28888	100.0
345.29825	19.1
464.35779	2.8
507.40982	5.6
526.90656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
52.67510	0.8
53.03953	1.2
54.83238	1.0
54.96344	0.9
55.01882	1.4
55.05516	23.7
57.03434	1.3
57.07082	5.9
67.05509	35.1
68.20436	1.1
69.03429	4.2
69.07066	11.9
69.35410	0.9
71.04977	1.1
71.08622	5.0
75.59124	1.0
79.05498	13.8
81.07059	35.9
83.04985	1.7
83.08622	25.9
85.10185	1.9
91.05489	5.6
93.07036	11.9
95.08607	27.1
97.06523	1.3
97.10172	47.1
105.07039	2.4
107.08595	18.2
109.10147	9.3
111.08081	1.6
119.08585	1.8
121.10138	4.6
123.11672	2.2
125.09641	26.0
131.08540	1.7
133.10153	4.6
135.08051	2.4
135.11757	2.2
161.13290	1.3
172.26053	1.1
189.11197	10.2
222.11516	1.0
227.12666	9.1
256.26480	1.6
263.23676	1.9
272.52130	1.2
297.24939	1.1
327.28952	5.5
345.82706	1.2
360.17877	1.4
443.31805	1.6
507.36755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83006	1.1
55.01856	2.3
55.05519	23.9
57.03429	1.7
57.07075	2.9
67.05508	37.5
69.03415	5.5
69.07058	12.1
72.26997	1.4
79.05485	13.8
81.06627	1.7
81.07063	39.3
83.08614	23.3
84.14618	1.3
85.06534	1.4
91.05456	7.6
92.60034	1.6
93.07053	14.1
95.04960	2.0
95.08608	28.9
97.09603	2.0
97.10173	40.1
98.35360	1.4
105.07001	2.7
107.08595	17.6
109.10155	15.6
111.08048	2.0
119.08583	3.4
121.10117	3.2
123.11700	3.5
125.09618	31.5
126.08698	1.5
133.10118	2.3
135.08002	2.3
135.11682	2.2
149.13246	3.3
150.76642	1.4
163.14806	1.9
189.11229	12.2
211.24231	1.5
227.12692	11.0
229.14343	1.5
255.87848	1.6
263.23859	2.4
448.53302	1.5
489.35123	3.0
507.36560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
52.85413	0.6
55.01878	1.2
55.05518	23.2
57.07077	1.9
67.05510	36.3
67.62337	0.7
69.03419	2.1
69.07066	10.5
71.08602	1.6
71.22386	0.8
76.97599	0.9
79.05498	15.9
81.07059	35.9
83.04973	1.9
83.08621	22.6
85.06490	1.2
89.07896	0.8
91.05489	6.3
92.07218	0.8
93.06537	1.3
93.07038	14.2
95.08604	27.2
97.06541	1.0
97.10168	47.5
105.07022	4.1
107.08591	13.7
109.10136	10.6
117.15719	0.9
119.08555	1.5
121.10138	5.6
123.11707	3.9
125.09621	27.2
133.10124	3.8
135.08061	2.0
135.11655	1.8
138.29941	1.0
140.43312	1.1
145.10178	1.1
147.11623	1.0
161.13120	1.2
171.10197	1.0
189.11224	8.4
198.23181	1.0
210.23264	0.9
227.12711	8.2
229.14394	1.8
261.21985	1.2
262.83887	1.0
272.41077	1.0
335.25861	1.0
335.53165	1.1
489.35654	1.4
507.36658	100.0
509.85199	1.2
521.38440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.70441	9.1
55.05512	20.8
57.78468	12.4
58.06581	14.6
61.93465	10.2
67.05500	54.8
67.77673	10.7
69.07089	18.4
71.08631	47.1
71.49088	11.5
79.05502	17.8
79.73502	10.0
81.07052	97.5
83.08611	18.2
91.05453	12.3
92.94055	10.9
93.07048	24.4
94.58875	11.7
95.08607	57.5
97.10165	15.5
105.07019	22.5
107.08624	39.4
109.10164	26.5
119.08575	70.7
121.10141	25.5
131.08545	14.4
137.05966	14.4
139.11264	12.1
143.08502	15.0
145.10098	13.2
147.11685	24.3
151.11191	16.4
153.02812	11.1
174.94444	13.9
208.80023	12.4
224.13469	11.8
261.52103	10.9
276.05521	13.4
277.21609	23.8
295.22601	25.5
317.24673	14.8
320.08987	51.0
321.09601	28.1
334.10608	21.9
335.11145	17.9
336.12134	74.9
337.12634	94.2
343.11868	13.0
455.63174	12.8
470.77310	12.8
471.34457	25.2
489.35733	100.0
507.15585	69.8
507.22781	18.2
507.36761	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.5
55.05521	27.6
55.49814	2.2
57.07076	5.8
67.05515	22.5
69.07075	39.0
79.05474	8.5
81.07053	32.7
83.08625	26.9
91.05483	5.1
93.07028	12.8
95.08600	32.1
97.06547	4.0
97.10175	19.8
101.81881	2.8
105.07040	2.6
107.08591	3.6
109.10148	10.7
111.11703	4.9
119.08571	3.8
121.10146	13.5
123.11690	5.7
133.10118	5.9
135.11681	9.5
138.45302	2.8
147.11687	3.4
147.74176	2.4
161.13319	2.4
217.19498	4.2
235.20680	3.6
306.35153	2.9
380.26938	2.7
405.05115	2.6
445.43692	2.7
507.44031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71368	0.5
74.23646	0.7
74.88320	0.5
96.79454	0.6
99.04743	0.6
109.10131	0.7
119.66848	0.6
152.06319	0.6
320.09198	2.9
321.09753	1.6
332.09167	11.4
334.10550	2.4
336.12134	5.2
337.12808	0.9
338.13538	1.4
344.09198	1.2
346.07013	3.2
346.10791	4.3
347.11548	1.0
352.15488	1.0
360.08661	9.2
361.09427	25.2
376.11774	100.0
406.09372	0.8
418.12918	0.8
420.10797	1.2
436.13879	6.2
464.12515	0.7
508.15970	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71368	0.5
74.23646	0.7
74.88320	0.5
96.79454	0.6
99.04743	0.6
109.10131	0.7
119.66848	0.6
152.06319	0.6
320.09198	2.9
321.09753	1.6
332.09167	11.4
334.10550	2.4
336.12134	5.2
337.12808	0.9
338.13538	1.4
344.09198	1.2
346.07013	3.2
346.10791	4.3
347.11548	1.0
352.15488	1.0
360.08661	9.2
361.09427	25.2
376.11774	100.0
406.09372	0.8
418.12918	0.8
420.10797	1.2
436.13879	6.2
464.12515	0.7
508.15970	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	16.8
59.06923	2.3
61.02914	1.2
69.03434	4.5
73.02955	1.6
81.45771	1.0
85.02903	9.6
94.97082	1.0
97.02895	2.6
107.04952	28.5
119.04950	1.3
121.06519	7.4
124.58449	1.1
137.00580	3.6
137.06006	4.8
139.55151	1.2
143.04869	1.6
145.04823	1.1
145.06502	1.7
175.07549	1.6
181.03244	2.0
189.03665	1.4
191.01567	4.9
192.55232	1.1
208.04355	1.4
209.02679	15.9
217.03175	1.6
238.05296	4.0
239.05164	2.3
242.08823	1.0
251.06985	1.8
252.07820	5.5
254.09366	19.5
267.04727	24.1
278.09354	1.9
285.05777	51.5
286.06549	6.1
293.06265	1.5
302.08405	1.5
311.07468	12.0
314.13776	1.5
317.96222	1.1
328.09900	1.9
329.08572	7.6
346.11169	9.4
346.16028	2.2
508.16187	100.0
508.23608	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20764	0.4
58.06599	0.8
67.05545	0.4
68.86592	0.3
69.77670	0.4
73.74469	0.4
84.59961	0.4
85.10661	0.5
92.20805	0.6
98.09672	0.5
112.57500	0.4
122.02721	1.1
145.02777	0.6
156.56383	0.5
172.69440	0.4
177.05496	2.4
179.07068	0.4
234.71190	0.5
258.33572	0.5
266.03964	0.5
290.08154	3.4
302.08047	0.5
304.06055	3.0
318.07693	3.9
319.08395	29.0
320.09137	3.8
334.10736	100.0
335.11490	4.6
336.12418	1.0
346.16940	1.8
388.12073	0.5
445.13858	0.9
462.16626	6.9
508.17072	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20764	0.4
58.06599	0.8
67.05545	0.4
68.86592	0.3
69.77670	0.4
73.74469	0.4
84.59961	0.4
85.10661	0.5
92.20805	0.6
98.09672	0.5
112.57500	0.4
122.02721	1.1
145.02777	0.6
156.56383	0.5
172.69440	0.4
177.05496	2.4
179.07068	0.4
234.71190	0.5
258.33572	0.5
266.03964	0.5
290.08154	3.4
302.08047	0.5
304.06055	3.0
318.07693	3.9
319.08395	29.0
320.09137	3.8
334.10736	100.0
335.11490	4.6
336.12418	1.0
346.16940	1.8
388.12073	0.5
445.13858	0.9
462.16626	6.9
508.17072	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.6
65.03931	0.8
69.03418	2.3
73.02914	0.4
79.05488	2.5
81.03429	4.8
83.04973	0.6
84.04491	0.4
85.02911	3.8
86.09692	0.5
88.68732	0.4
89.03912	0.8
89.61477	0.4
91.05470	1.6
91.60114	0.4
92.05011	2.9
95.04982	0.6
96.08141	4.1
97.02877	0.8
99.04436	1.7
106.06561	31.5
107.04929	0.9
108.08116	7.5
109.02856	2.3
109.05247	0.8
117.03368	6.2
119.04935	4.6
121.06481	0.8
122.06007	0.9
123.06805	5.4
124.07594	26.2
134.06023	20.7
134.06821	0.5
136.07585	2.0
137.05971	0.9
137.39301	0.4
140.07085	2.2
145.02850	38.2
147.04414	1.6
149.05991	2.3
151.03871	0.8
152.07068	74.5
158.08142	3.3
170.08124	27.9
175.03871	3.1
177.05467	100.0
186.05484	0.9
189.05551	0.5
192.10219	0.5
194.24077	0.5
204.06622	0.6
207.06512	4.6
207.08273	0.5
213.09123	6.6
243.05110	0.5
250.08575	0.5
261.05960	0.5
265.08768	0.5
267.08905	0.9
282.11246	1.8
310.10681	3.2
314.12390	2.0
321.09708	2.1
328.11633	1.0
332.13486	3.4
339.10751	1.7
395.68582	0.4
435.42160	0.5
490.17026	9.0
490.27188	0.7
508.18149	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91204	0.6
53.03977	0.5
54.18264	0.4
56.00282	0.4
58.06613	0.6
58.85961	0.4
65.03956	0.7
65.07013	0.6
65.88624	0.5
67.19147	0.4
69.03423	2.3
69.83005	0.5
79.05482	2.9
81.03412	2.9
83.04975	0.6
85.02909	1.1
89.03915	0.8
92.04994	2.8
96.08131	4.4
97.02904	0.6
106.06565	35.3
108.08125	8.5
109.02857	1.2
109.05286	0.8
117.03391	4.4
119.04948	0.8
122.06062	0.7
123.06821	4.4
124.07596	26.0
134.06015	16.3
136.07585	2.2
137.05998	0.6
140.07050	1.2
145.02850	42.4
147.04434	0.5
149.05988	2.1
151.03865	0.9
152.07072	75.3
153.05415	0.6
153.07883	0.6
158.08058	0.9
170.08124	31.9
175.03891	3.1
177.05470	100.0
186.05585	0.7
188.07022	0.5
192.10251	1.2
204.06586	0.5
207.06523	4.8
250.08614	1.1
282.11328	2.6
295.08554	0.9
310.10757	3.2
314.12253	1.0
321.09613	2.0
332.13385	3.5
339.10782	1.2
344.14005	1.0
345.14163	0.8
439.29587	0.5
464.14978	0.5
490.16809	9.4
508.18185	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96449	1.7
59.32182	1.4
59.80965	1.4
62.09631	1.4
70.06568	1.7
70.74976	1.6
70.83675	1.4
81.03400	2.8
85.02866	4.4
90.49349	1.8
92.04964	1.8
96.08123	3.3
99.04409	3.1
103.02303	1.7
106.06557	31.6
108.08104	3.7
109.02818	2.4
113.72005	2.0
117.03356	4.1
118.78603	1.8
119.04904	1.8
121.06445	1.8
123.06754	3.0
124.07583	24.2
125.72409	1.6
134.06015	19.5
136.07510	3.3
137.05901	3.6
145.02843	41.5
147.04352	6.9
152.07063	75.2
158.08072	4.1
162.09097	2.1
170.06929	1.9
170.08127	37.8
175.03831	3.8
177.05466	100.0
190.08484	11.9
191.09261	9.1
192.08504	1.7
192.10176	44.5
200.43636	1.7
207.06534	6.4
213.09026	2.5
250.36121	1.9
310.10574	3.4
321.09311	1.9
322.10513	1.9
326.13672	2.5
327.14362	4.0
328.15125	3.5
332.13174	2.5
423.40060	2.0
446.84799	1.9
490.16663	9.8
508.17459	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96449	1.7
59.32182	1.4
59.80965	1.4
62.09631	1.4
70.06568	1.7
70.74976	1.6
70.83675	1.4
81.03400	2.8
85.02866	4.4
90.49349	1.8
92.04964	1.8
96.08123	3.3
99.04409	3.1
103.02303	1.7
106.06557	31.6
108.08104	3.7
109.02818	2.4
113.72005	2.0
117.03356	4.1
118.78603	1.8
119.04904	1.8
121.06445	1.8
123.06754	3.0
124.07583	24.2
125.72409	1.6
134.06015	19.5
136.07510	3.3
137.05901	3.6
145.02843	41.5
147.04352	6.9
152.07063	75.2
158.08072	4.1
162.09097	2.1
170.06929	1.9
170.08127	37.8
175.03831	3.8
177.05466	100.0
190.08484	11.9
191.09261	9.1
192.08504	1.7
192.10176	44.5
200.43636	1.7
207.06534	6.4
213.09026	2.5
250.36121	1.9
310.10574	3.4
321.09311	1.9
322.10513	1.9
326.13672	2.5
327.14362	4.0
328.15125	3.5
332.13174	2.5
423.40060	2.0
446.84799	1.9
490.16663	9.8
508.17459	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1969
Annotation	Hygrocin B
Peak:m/z	Relative Intensity
58.44459	3.1
66.32515	2.9
66.80443	3.2
101.11399	3.7
102.39148	3.1
131.73500	3.1
233.03149	4.8
317.10223	4.1
320.09116	7.8
332.09064	7.7
336.12320	13.0
347.11334	3.8
348.08688	4.3
358.10565	4.7
360.12677	4.1
374.09967	4.7
376.07971	13.2
389.12839	6.6
391.10559	94.7
392.11203	13.3
404.11197	26.6
430.16983	4.5
445.25259	3.9
452.10220	4.1
462.18866	26.2
490.18542	80.9
508.19403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75501	0.4
69.71359	0.4
76.87310	0.4
85.02890	0.6
103.05483	2.2
103.06212	0.4
107.05020	0.6
120.08102	100.0
131.04918	2.5
149.05962	2.3
158.28857	0.5
166.08624	50.4
178.08586	0.7
179.08939	0.8
181.10580	0.5
208.06033	1.8
217.69810	0.4
300.12302	0.7
310.67499	0.4
312.39310	0.5
316.04526	0.5
508.19104	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
55.68875	0.6
57.03450	1.2
61.02921	0.8
62.99330	0.6
69.03436	5.8
70.06564	0.7
71.04988	0.7
71.50735	0.6
81.03419	3.8
84.42240	0.6
85.02901	19.6
86.90856	0.6
87.04476	0.8
95.01230	0.6
97.02901	5.5
99.04452	6.2
107.04957	100.0
108.94960	0.6
109.02866	5.6
119.91467	0.6
121.06490	3.6
125.05978	0.6
127.03918	14.9
145.04924	5.8
147.04414	3.9
148.04840	0.8
149.05983	10.0
165.89630	0.6
167.07042	2.9
173.05988	1.3
194.08386	0.7
230.09267	2.8
259.27441	0.6
275.09064	1.1
293.10056	4.9
304.02142	0.7
311.11237	37.9
371.55283	0.8
379.56921	0.8
424.27261	0.7
437.14587	0.9
455.15405	0.8
490.16977	1.0
508.18588	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14503	0.3
51.54917	0.3
51.63997	0.4
53.03946	0.5
55.01891	0.3
55.62696	0.3
57.03430	0.8
57.33068	0.3
58.17712	0.4
61.02920	1.3
61.25434	0.3
64.39217	0.3
69.03429	5.9
71.04977	0.5
72.08178	0.4
73.02922	0.4
81.03422	4.1
85.02906	15.3
87.04456	0.8
97.02889	6.7
99.04453	3.6
107.04954	100.0
109.02876	5.2
117.39582	0.3
121.06490	3.7
127.03915	15.2
145.04964	4.5
147.04419	2.0
148.80188	0.3
149.05959	9.0
167.07057	3.1
173.06007	0.9
187.05951	0.4
215.06944	0.8
233.08119	0.8
257.07822	0.6
275.09229	2.6
293.10284	3.5
311.11240	36.5
328.15359	0.5
346.12592	0.4
438.97232	0.4
455.15491	0.8
473.16110	0.6
508.23734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	0.9
72.82082	0.7
91.05446	1.3
95.08601	1.2
98.79661	0.8
118.06522	1.4
121.06499	0.9
132.04459	1.0
134.06009	1.2
136.05197	4.6
142.50305	0.9
148.05165	5.4
149.05972	18.1
154.12206	0.8
158.37080	0.8
162.05530	1.2
174.05479	1.7
175.06255	4.8
176.05536	1.7
176.07057	42.9
177.07832	11.4
192.06544	44.7
194.08121	13.0
201.09113	8.8
227.10715	1.5
231.10141	5.4
232.07210	1.7
246.08887	0.9
247.09596	1.4
254.12856	1.4
256.14572	3.6
257.11758	0.9
257.92459	0.9
259.09680	0.9
266.13138	1.0
268.14453	1.2
269.15305	3.1
271.09573	7.5
281.15305	21.9
292.09662	1.0
307.18301	0.8
309.14899	1.2
315.12009	0.8
320.09091	3.0
321.09860	5.5
322.10458	1.0
327.15732	1.0
336.12317	11.0
338.13586	2.1
368.18356	1.0
450.11670	1.3
478.11188	3.5
492.12512	5.0
493.12735	1.1
508.15848	14.3
508.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.233
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19353	0.7
77.09991	0.6
84.00387	0.7
91.66450	0.7
279.46411	0.7
290.24951	0.7
292.09668	7.8
304.09848	0.9
306.07669	1.6
319.08466	1.4
320.09204	13.8
321.09906	25.3
322.10678	1.3
334.10715	5.3
336.12302	100.0
350.10168	0.9
407.81070	0.8
456.50851	0.7
464.21021	1.4
478.18774	1.4
492.20419	1.2
508.17371	2.1
508.23474	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53992	0.2
54.65908	0.3
58.06545	0.3
71.19755	0.3
93.48917	0.3
95.49412	0.3
96.28235	0.3
96.89181	0.3
119.74558	0.3
121.05640	0.3
160.98811	0.3
165.08952	1.1
177.05389	0.4
204.12143	0.3
292.09686	1.4
293.10263	0.4
294.11191	1.5
306.11261	0.4
307.08005	0.4
308.09106	0.5
308.12723	1.1
318.07828	0.4
319.08368	0.4
320.09143	8.7
321.09949	5.2
322.10559	2.2
323.11572	3.6
334.10815	2.0
336.12274	100.0
337.12701	0.6
338.13770	10.0
350.09967	0.3
352.15637	0.4
376.06357	0.4
392.08911	0.3
440.82983	0.3
464.34570	0.4
508.23413	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46838	1.0
64.18565	1.1
65.64037	0.9
71.71039	1.0
75.11534	1.0
77.08882	1.1
92.21631	1.6
99.27264	1.3
113.33105	1.2
158.64937	1.3
233.83604	1.3
242.17714	1.1
292.09802	2.5
294.11224	2.5
306.07355	1.4
306.11017	1.3
316.38220	1.2
318.07532	1.7
319.08591	6.5
320.09204	36.9
321.10013	6.8
322.10767	6.4
323.11484	5.3
334.10770	20.7
336.12302	85.8
337.13278	5.2
338.14001	6.5
350.10425	6.2
364.12015	6.1
378.13434	6.4
476.21231	2.9
478.18454	1.5
492.20099	2.1
493.21378	1.7
508.17841	6.3
508.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53992	0.2
54.65908	0.3
58.06545	0.3
71.19755	0.3
93.48917	0.3
95.49412	0.3
96.28235	0.3
96.89181	0.3
119.74558	0.3
121.05640	0.3
160.98811	0.3
165.08952	1.1
177.05389	0.4
204.12143	0.3
292.09686	1.4
293.10263	0.4
294.11191	1.5
306.11261	0.4
307.08005	0.4
308.09106	0.5
308.12723	1.1
318.07828	0.4
319.08368	0.4
320.09143	8.7
321.09949	5.2
322.10559	2.2
323.11572	3.6
334.10815	2.0
336.12274	100.0
337.12701	0.6
338.13770	10.0
350.09967	0.3
352.15637	0.4
376.06357	0.4
392.08911	0.3
440.82983	0.3
464.34570	0.4
508.23413	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24390	0.4
51.63139	0.4
54.46516	0.3
63.56800	0.3
63.91604	0.3
66.95126	0.3
67.72787	0.4
77.39479	0.4
86.09711	100.0
87.68129	0.4
98.27775	0.4
110.54362	0.4
119.04942	0.4
121.06528	3.5
132.10207	68.7
133.05038	0.5
137.05991	7.8
147.04402	4.5
154.05992	0.4
166.08684	1.8
179.07030	4.6
197.08012	1.4
431.99396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17655	0.7
55.27390	0.6
68.99562	0.6
73.54237	0.7
80.65982	0.8
308.12735	15.4
320.09174	1.1
320.12759	1.6
322.10794	5.2
323.11398	1.0
334.10867	1.7
336.12302	23.9
337.13037	43.7
352.15402	100.0
371.64420	0.8
407.82660	0.8
478.00360	0.9
508.12393	2.9
508.27060	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2692
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
63.70142	0.4
69.19982	0.4
75.45996	0.5
111.72798	0.5
186.72296	0.4
308.12820	14.1
320.12787	2.9
322.10645	4.7
334.10718	0.6
336.12296	16.7
337.13077	37.9
352.15421	100.0
436.39560	0.5
462.22421	0.5
476.24811	0.6
478.21838	0.6
508.27014	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2693
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
55.59832	0.5
59.00863	0.5
80.31608	0.5
82.32024	0.5
294.11185	0.7
308.12787	13.3
308.16031	0.9
320.09488	1.6
320.12952	2.2
321.10004	2.5
322.10696	6.8
323.11551	3.0
336.09241	0.6
336.12302	35.1
337.13071	42.2
338.14038	5.2
339.13736	1.0
352.15430	100.0
353.15906	1.2
354.16083	1.3
508.26941	75.9
527.16718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67543	1.2
53.03951	2.8
62.35612	1.2
67.05505	12.2
69.03436	14.8
69.07037	1.5
73.02911	1.3
79.05505	10.5
81.03426	5.8
81.07059	13.5
83.05044	1.5
83.08597	2.1
91.05469	3.0
93.07034	14.4
95.08611	11.5
97.02892	100.0
99.04459	75.0
105.06995	2.0
107.08581	13.6
109.10161	7.6
115.03932	15.2
119.08573	6.1
121.10140	9.8
123.11720	2.5
131.08585	3.0
133.10098	2.2
135.11688	9.0
145.10159	3.4
149.13252	3.5
159.11728	2.4
161.13295	1.8
163.14780	2.6
173.13220	3.4
197.11838	2.4
213.07565	60.2
243.21059	10.1
261.22137	38.0
291.52951	1.6
457.32086	1.8
491.30289	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
55.82077	0.5
57.07075	0.8
57.87472	0.5
57.93148	0.6
60.08176	12.0
67.05500	1.6
69.07060	1.4
71.07376	2.5
81.07069	3.0
83.08612	3.7
86.09706	38.7
92.20930	0.7
93.07075	0.6
95.08598	2.4
104.10745	82.8
107.08617	1.0
114.95827	0.6
121.10114	1.4
125.00003	17.5
135.11743	1.0
144.18019	0.7
163.01563	1.0
167.60397	0.6
182.89397	0.6
184.07336	100.0
191.97244	0.6
199.59589	0.7
219.21173	0.7
237.22095	1.2
311.25845	1.2
320.09088	0.8
329.26892	1.4
336.12396	3.9
490.32825	5.6
503.96075	0.7
508.33969	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31409	0.2
51.78163	0.2
53.40710	0.2
60.08168	4.8
69.07060	0.2
71.07355	1.1
74.55618	0.2
81.07099	0.2
81.57640	0.2
86.09712	21.4
95.08610	0.3
98.98449	0.4
104.10770	2.3
124.99099	0.3
125.00010	9.9
135.11707	0.2
143.15999	0.2
184.07341	100.0
222.30008	0.2
249.61063	0.2
347.09415	0.2
385.67200	0.3
428.87814	0.2
475.11621	0.2
490.32825	0.4
508.33987	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16908	0.2
51.28817	0.3
51.54188	0.2
52.19344	0.2
55.05503	0.3
57.63430	0.2
60.08176	3.8
62.80264	0.2
64.12440	0.2
69.07056	0.4
71.07370	1.1
81.07048	0.4
83.08586	0.3
86.09715	21.4
93.23286	0.2
95.08616	0.4
98.98448	0.4
104.10759	5.7
125.00012	11.2
137.31032	0.2
161.35712	0.2
171.72989	0.2
184.07350	100.0
185.20695	0.3
336.12204	1.3
353.82062	0.3
490.32837	1.9
508.34052	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3393
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	0.5
57.03418	0.4
57.07073	0.5
58.06607	0.6
60.08169	9.6
64.75236	0.3
67.05488	0.4
68.06650	0.4
68.86046	0.3
69.07063	0.8
71.07354	1.8
71.08609	0.5
72.04504	2.0
73.00257	0.3
81.07030	2.3
83.08599	2.1
86.09708	33.2
87.42863	0.4
92.20978	0.4
93.07006	0.7
93.73767	0.3
95.08595	0.9
97.10162	1.6
100.25515	0.4
104.10746	69.0
107.08603	0.5
109.10133	0.7
111.07961	0.4
113.05450	0.4
121.10161	0.5
124.99096	0.6
124.99998	15.6
135.11723	0.8
158.45782	0.4
163.01543	0.7
181.02637	0.5
182.93721	0.5
184.07338	100.0
205.24957	0.4
219.20993	0.5
228.94125	0.6
258.11014	0.4
282.32632	0.4
289.59448	0.4
325.27548	0.7
329.26810	0.5
336.12280	4.2
461.06485	0.4
467.16669	0.5
490.32782	4.5
508.33990	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77560	1.1
60.08161	7.4
65.88915	1.1
69.07075	1.5
72.91796	1.1
81.07060	2.6
83.08624	1.3
86.09713	29.5
90.67799	1.2
92.21538	2.0
95.08609	1.4
104.10747	58.3
108.22826	1.2
125.00014	15.0
184.07333	100.0
228.94104	2.0
292.93845	1.5
380.86993	1.5
490.32745	2.2
503.19266	1.9
508.20395	2.1
508.33835	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36516	0.9
53.41513	0.7
58.06606	1.0
60.08168	10.1
65.91199	0.8
69.07079	1.3
78.09213	0.9
83.08625	2.2
86.09711	39.2
87.45500	1.0
95.08618	1.1
104.10748	82.1
124.65550	1.0
125.00014	16.1
128.37608	0.9
170.57695	1.1
172.55420	1.0
184.07344	100.0
325.27469	1.8
387.83475	1.2
450.65219	1.2
490.33041	7.8
508.34073	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
55.05517	21.6
57.03431	13.2
57.07085	14.6
59.08065	1.9
60.12746	1.7
67.05511	20.5
69.07072	40.9
71.04921	1.4
71.08627	8.0
72.08153	78.2
78.09299	1.5
79.05499	2.9
80.49504	1.6
81.07062	32.6
83.08615	34.9
85.10172	2.7
93.07039	12.0
95.08599	27.8
97.06530	3.3
97.10162	27.1
105.86348	1.7
107.08587	8.6
109.10156	12.3
111.11726	4.0
121.10137	13.5
123.11690	4.3
125.09653	4.1
135.11687	11.2
149.13269	3.7
152.12367	1.8
163.67287	1.8
170.05760	84.0
203.04156	1.9
277.54648	2.0
325.54190	1.8
338.01675	2.0
339.28931	100.0
377.29370	2.0
456.39670	1.9
508.36664	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
57.03423	1.1
57.07082	1.3
67.05507	3.4
67.45199	0.7
68.47617	0.7
69.07063	4.7
70.06590	1.8
71.08630	0.9
72.08158	100.0
81.07052	6.5
82.90761	0.8
83.08624	3.5
90.09161	2.6
93.07018	1.2
95.08606	5.5
97.10180	3.5
107.08630	1.2
109.06552	1.1
109.10150	3.9
119.08578	0.9
119.64899	0.9
136.45540	0.8
147.11719	0.9
170.05757	6.1
170.17210	0.9
196.16936	1.6
278.24597	0.8
313.10251	1.0
339.28909	15.9
343.89139	0.9
490.32800	8.3
490.39493	1.7
508.33618	20.7
508.45200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3399
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
51.51646	1.1
54.36087	1.0
55.05512	1.6
56.05031	1.1
57.07057	1.1
58.06609	100.0
58.46408	1.0
60.26144	1.0
63.58202	1.2
65.63380	1.0
67.05508	4.8
69.07073	5.1
69.28774	1.1
76.07641	6.7
81.07053	4.5
83.08611	2.5
93.07043	1.7
95.08622	2.2
97.10181	1.5
104.34253	1.1
107.08587	2.0
109.10178	5.5
120.88566	1.0
121.10091	1.7
131.40321	1.2
136.23318	1.4
149.65593	1.1
164.12514	1.1
275.20432	1.2
353.30527	25.2
394.04645	1.3
490.33344	5.4
508.33966	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3403
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
55.05514	6.2
60.19351	5.4
62.06083	25.3
67.05498	27.7
69.07073	28.8
71.08641	8.3
75.12708	4.7
79.05482	5.9
81.07048	26.1
83.06095	5.1
83.08634	23.7
92.21533	9.0
93.07012	7.0
95.08613	24.1
97.10177	11.8
109.10153	9.9
179.46635	5.6
237.99278	6.8
250.52695	7.1
263.12555	7.1
336.32663	21.9
344.71344	7.2
349.27505	21.5
367.32071	100.0
391.87454	6.9
490.32718	29.0
508.33865	47.9
508.40668	8.4
518.50635	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	24.1
57.03452	3.8
57.07082	36.9
58.42841	2.6
66.53738	2.6
67.05504	15.4
69.03423	17.2
69.06706	3.3
69.07070	68.5
71.08636	19.8
79.05515	3.9
81.03428	6.2
81.07067	27.0
81.88472	2.7
83.08621	65.9
85.02899	25.8
85.10188	13.6
86.06030	2.3
91.05471	4.1
93.07047	6.1
95.08605	18.9
97.02892	12.4
97.06515	3.4
97.10176	65.1
99.04440	12.8
105.07042	3.2
107.08608	11.7
109.02862	3.7
109.10159	14.8
111.11739	22.1
121.10141	17.3
123.11678	4.3
125.09599	3.6
127.03934	13.1
135.11705	12.4
140.92493	2.4
145.04987	6.1
149.13206	4.3
192.10222	5.4
195.15950	2.7
215.68413	2.5
219.21245	5.2
220.78345	2.6
237.22125	6.7
255.23114	6.7
310.18051	13.8
311.25754	13.2
328.29041	3.2
329.27066	17.0
381.26340	20.9
399.27383	100.0
508.30072	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.1
55.58108	2.1
57.07079	27.4
65.55275	2.2
67.05511	6.1
69.07081	38.5
71.01348	10.1
71.08627	13.7
74.06063	2.6
81.07062	15.7
82.28662	2.3
83.08620	37.4
85.02882	4.6
85.10195	3.8
93.07050	4.3
95.08591	16.4
97.10172	38.2
107.08612	6.0
109.10147	9.7
111.08072	10.9
111.11736	25.4
121.10171	4.3
125.09564	3.5
125.13245	5.5
135.11710	11.2
141.01831	3.7
149.13229	4.7
159.02911	34.0
163.14862	10.0
167.14197	3.4
185.30997	2.4
191.17868	3.3
195.00296	15.2
261.25739	16.4
279.26807	30.6
284.17642	2.6
297.27875	100.0
315.28867	6.4
334.11340	3.2
455.29837	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19933	2.1
54.79839	2.6
55.05515	12.8
55.67618	2.8
57.03434	3.1
57.07078	14.7
61.02922	3.6
64.19585	2.5
67.05516	27.3
69.07077	26.8
71.08627	5.1
79.05487	16.7
81.07065	42.2
83.08624	44.6
85.02912	5.9
85.10204	3.7
86.09712	6.2
91.03955	3.5
93.07029	20.7
95.08602	32.2
97.06532	10.5
97.10197	21.7
104.10762	14.3
104.49181	2.8
107.08616	15.1
109.10139	20.0
111.08063	6.8
111.11761	2.8
121.10159	47.3
123.11715	17.5
125.09641	5.6
126.35741	2.7
135.11711	48.8
137.13245	11.1
139.11166	4.3
149.09723	3.2
149.13255	17.8
163.14870	2.9
184.07310	14.1
219.21001	22.6
236.74216	2.9
237.22131	58.2
255.23160	12.0
311.25845	37.5
329.26877	100.0
408.54657	2.8
499.79623	3.1
508.33353	19.0
516.35162	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72449	1.8
55.05516	17.7
57.07069	2.8
57.94116	1.8
66.90517	1.8
67.05511	31.8
69.03420	16.3
69.07072	19.1
71.04991	2.7
71.39069	1.9
79.05499	46.1
80.05865	2.0
81.03407	4.9
81.07057	41.7
83.04939	3.0
83.08611	14.2
85.02911	3.2
85.06547	2.9
91.05468	19.0
92.12558	2.4
92.21048	2.1
93.06477	4.1
93.07043	78.7
94.07354	3.6
95.04966	4.4
95.08598	39.2
96.08974	3.8
97.06521	4.4
97.10176	8.7
105.07040	18.3
106.07360	3.6
107.08589	43.2
108.08926	3.1
109.06517	3.4
109.10139	31.1
113.05992	2.8
117.07001	8.8
119.08574	21.9
121.10149	35.6
122.10503	2.3
123.11711	3.2
125.08775	2.3
127.07587	2.1
127.11212	8.7
131.08572	13.6
131.23413	2.2
133.10149	18.4
135.08110	4.4
135.11688	40.5
136.12006	2.4
143.08597	3.1
144.09015	2.4
145.10117	11.1
147.11711	10.5
148.11957	2.4
149.09598	2.8
149.13298	15.5
159.11664	5.6
159.31552	2.2
161.09625	2.9
161.13272	3.7
163.14830	4.9
171.11781	4.2
173.13205	3.3
173.40891	2.1
176.45273	2.3
179.10690	2.5
185.13416	2.7
197.11716	9.0
199.14726	2.3
201.16428	2.8
259.20911	2.7
262.22321	2.8
277.21619	100.0
328.27332	4.3
346.28159	3.1
411.33942	2.3
472.31372	4.0
490.32297	14.1
508.33304	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72449	1.8
55.05516	17.7
57.07069	2.8
57.94116	1.8
66.90517	1.8
67.05511	31.8
69.03420	16.3
69.07072	19.1
71.04991	2.7
71.39069	1.9
79.05499	46.1
80.05865	2.0
81.03407	4.9
81.07057	41.7
83.04939	3.0
83.08611	14.2
85.02911	3.2
85.06547	2.9
91.05468	19.0
92.12558	2.4
92.21048	2.1
93.06477	4.1
93.07043	78.7
94.07354	3.6
95.04966	4.4
95.08598	39.2
96.08974	3.8
97.06521	4.4
97.10176	8.7
105.07040	18.3
106.07360	3.6
107.08589	43.2
108.08926	3.1
109.06517	3.4
109.10139	31.1
113.05992	2.8
117.07001	8.8
119.08574	21.9
121.10149	35.6
122.10503	2.3
123.11711	3.2
125.08775	2.3
127.07587	2.1
127.11212	8.7
131.08572	13.6
131.23413	2.2
133.10149	18.4
135.08110	4.4
135.11688	40.5
136.12006	2.4
143.08597	3.1
144.09015	2.4
145.10117	11.1
147.11711	10.5
148.11957	2.4
149.09598	2.8
149.13298	15.5
159.11664	5.6
159.31552	2.2
161.09625	2.9
161.13272	3.7
163.14830	4.9
171.11781	4.2
173.13205	3.3
173.40891	2.1
176.45273	2.3
179.10690	2.5
185.13416	2.7
197.11716	9.0
199.14726	2.3
201.16428	2.8
259.20911	2.7
262.22321	2.8
277.21619	100.0
328.27332	4.3
346.28159	3.1
411.33942	2.3
472.31372	4.0
490.32297	14.1
508.33304	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25887	0.7
56.05036	5.2
60.49551	0.7
64.43401	1.0
67.05488	4.0
69.07082	3.3
78.21006	0.8
81.07058	2.0
83.08593	1.1
92.20811	1.0
93.07026	1.9
94.04556	0.9
95.08602	2.0
97.10181	1.5
97.38396	0.8
108.70097	0.8
109.10165	6.9
119.08514	2.5
121.10143	1.7
124.57706	0.9
127.03900	0.9
136.11256	2.1
137.09598	3.8
138.12785	1.6
141.86905	0.9
153.13879	3.8
154.12271	100.0
167.15427	1.2
168.13824	28.2
171.14912	15.8
182.15413	5.2
185.16498	7.9
189.16350	1.6
225.18507	4.0
272.20087	1.2
286.21719	1.2
289.22708	4.8
290.21143	1.8
303.24203	5.9
304.22754	3.9
306.20493	1.6
307.23810	24.2
320.09183	4.3
320.22266	1.4
320.27051	2.1
321.25375	30.3
324.21933	1.3
324.26434	3.5
335.26959	6.1
336.12244	4.6
338.23456	1.0
338.27899	1.8
409.61230	0.9
490.36420	5.0
491.34647	2.0
508.13113	1.2
508.23941	6.4
508.37500	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	6.1
66.49654	0.7
67.05506	3.5
69.07081	3.5
71.26421	0.8
81.07053	1.4
91.05486	1.5
93.07072	0.8
93.34264	0.9
95.08627	1.5
109.10165	8.5
110.09724	1.2
111.97031	0.8
113.93360	1.1
118.57857	0.9
119.08585	1.9
121.10144	1.2
124.20446	0.8
127.37768	1.1
128.00620	0.8
136.11214	3.8
137.09636	1.9
138.12796	1.3
153.13904	5.1
153.41121	0.8
154.12270	100.0
168.13840	1.4
171.14926	15.1
182.15388	10.2
194.60289	0.8
199.18027	1.9
219.06367	0.9
272.20148	4.0
285.83252	1.0
289.22714	8.3
290.21158	6.1
292.09598	1.2
306.25494	1.4
307.08347	1.1
307.23767	40.7
317.25974	1.4
320.09079	7.6
320.22284	1.1
321.09671	1.2
324.26443	4.6
334.10654	1.3
335.26981	10.2
336.12283	4.7
337.12653	1.0
338.23029	1.3
376.11722	1.3
416.79080	0.9
490.36075	4.1
508.22992	3.8
508.37503	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	6.1
66.49654	0.7
67.05506	3.5
69.07081	3.5
71.26421	0.8
81.07053	1.4
91.05486	1.5
93.07072	0.8
93.34264	0.9
95.08627	1.5
109.10165	8.5
110.09724	1.2
111.97031	0.8
113.93360	1.1
118.57857	0.9
119.08585	1.9
121.10144	1.2
124.20446	0.8
127.37768	1.1
128.00620	0.8
136.11214	3.8
137.09636	1.9
138.12796	1.3
153.13904	5.1
153.41121	0.8
154.12270	100.0
168.13840	1.4
171.14926	15.1
182.15388	10.2
194.60289	0.8
199.18027	1.9
219.06367	0.9
272.20148	4.0
285.83252	1.0
289.22714	8.3
290.21158	6.1
292.09598	1.2
306.25494	1.4
307.08347	1.1
307.23767	40.7
317.25974	1.4
320.09079	7.6
320.22284	1.1
321.09671	1.2
324.26443	4.6
334.10654	1.3
335.26981	10.2
336.12283	4.7
337.12653	1.0
338.23029	1.3
376.11722	1.3
416.79080	0.9
490.36075	4.1
508.22992	3.8
508.37503	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.9
63.56792	1.7
67.05505	10.9
69.07065	2.9
69.22456	1.6
71.05004	13.8
74.90177	1.8
76.10606	1.7
79.05504	1.9
81.07058	9.4
83.08627	3.9
84.72235	1.8
92.21561	2.4
93.07014	3.7
95.08587	7.1
97.06526	27.7
97.10172	9.3
99.04456	4.3
107.08607	4.7
109.10159	6.6
121.10161	2.2
125.09585	4.4
133.10114	2.1
140.54367	2.0
151.11197	2.0
159.11696	3.2
172.25797	1.7
188.54372	2.0
189.11215	4.1
195.13773	17.1
213.14854	100.0
252.25702	1.9
265.39890	1.9
275.07129	2.2
335.65622	2.1
374.27466	3.2
490.32147	2.3
508.33734	2.9
524.74017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49696	4.5
57.07073	31.9
59.79299	3.7
71.08631	29.2
85.10175	7.8
89.06030	73.2
98.99345	5.3
114.98006	5.2
121.69994	4.7
133.08577	10.1
148.04028	4.3
223.98630	5.2
239.14856	10.9
303.34970	5.8
419.58563	6.7
491.43008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72238	0.5
68.30951	0.4
134.09633	0.5
149.19054	0.5
167.64281	0.5
176.07144	0.9
188.07053	0.7
200.07120	0.6
264.68103	0.6
277.07370	0.6
292.09787	0.6
305.06763	4.8
306.07663	4.1
306.11096	1.0
318.07541	3.5
319.08215	1.8
320.09192	7.8
321.09946	1.2
322.10663	3.6
334.10709	40.6
336.12354	1.0
379.78049	0.5
449.12714	1.0
463.12952	1.9
464.12350	0.9
465.14627	4.8
479.11835	0.6
480.14395	1.2
492.00134	0.5
492.14072	0.7
493.13934	15.5
494.14850	2.8
509.17041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25574	0.7
81.40403	0.6
119.46397	0.6
121.10125	0.8
123.08066	0.6
134.32652	0.6
149.06012	4.0
150.06279	0.9
161.06010	0.9
176.07048	6.2
177.07564	2.6
178.08231	0.7
182.40041	0.7
192.06502	4.7
193.06876	2.6
194.08160	0.9
202.09329	0.7
212.87929	0.6
221.83737	0.7
281.15350	1.4
282.15646	1.3
290.08267	1.4
302.08002	0.8
304.06125	0.9
305.06799	8.4
305.10013	1.1
306.07791	2.3
307.08398	1.0
318.07574	2.5
319.08295	9.4
320.09204	11.3
321.09692	1.3
322.10495	0.8
334.10681	23.3
334.14575	0.9
336.12238	0.9
397.16772	0.6
403.17667	0.7
448.11609	0.9
451.13007	5.4
463.12921	11.5
464.11533	0.7
465.14386	2.8
475.12881	3.8
477.14203	1.4
478.14096	0.8
479.12314	14.8
491.26422	0.8
493.13947	29.0
494.15192	4.6
509.17093	100.0
509.23792	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14757	0.6
67.54705	0.5
76.44713	0.6
87.58951	0.5
89.10234	0.5
100.54589	0.6
120.58002	0.5
161.05942	0.7
162.40427	0.6
176.07072	1.4
209.04541	0.7
238.06671	0.5
290.08078	1.3
302.08237	1.0
304.06415	1.0
304.09842	0.8
305.06812	6.7
306.07550	1.4
318.07803	2.8
319.08356	7.6
320.09155	10.3
334.10690	23.6
451.12906	6.8
463.12949	12.9
465.14426	4.2
475.13229	4.2
477.13925	1.2
479.12274	13.3
493.13928	27.2
493.21179	0.9
494.15021	4.7
509.17084	100.0
509.26404	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33451	0.4
58.06600	0.6
62.44676	0.4
106.65146	0.6
142.63693	0.7
321.09662	1.2
322.10556	1.0
334.10681	0.7
335.11374	4.0
336.12231	2.3
336.50146	0.6
337.12555	5.4
350.10455	3.4
393.11938	1.3
435.13391	72.3
449.15271	5.3
450.15930	17.5
465.14505	11.8
466.15628	1.0
478.15326	1.1
509.17130	100.0
509.23270	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
78.71651	0.5
89.17973	0.5
103.61969	0.5
105.07230	0.5
121.06500	0.7
133.55103	0.6
149.66655	0.6
161.05952	0.6
174.05489	0.7
176.07063	2.2
182.09178	0.5
184.54503	0.5
193.07005	0.6
277.07434	0.8
290.08044	0.8
302.08176	1.2
304.06076	0.8
304.09631	0.7
305.06824	8.2
306.07654	0.9
307.08417	1.9
318.07703	2.2
319.08395	6.9
320.09167	12.0
321.09921	2.3
334.10709	20.9
451.12836	7.1
463.12875	11.9
465.14325	2.6
475.13065	3.9
476.13379	1.2
477.14038	1.3
479.12317	12.8
490.14551	0.6
493.13937	27.9
493.21152	0.9
494.14651	4.2
509.17044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53507	0.5
60.36615	0.5
61.88561	0.5
67.33335	0.5
70.02957	0.6
74.02445	17.7
80.59263	0.6
83.64339	0.5
86.09725	4.9
87.05598	37.3
87.10039	1.1
88.03979	6.6
98.43435	0.6
116.03445	8.9
132.10199	3.6
133.06091	100.0
133.10526	1.3
137.05998	1.3
147.04416	1.2
156.66469	0.6
201.04301	0.7
437.93646	0.6
465.57324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95951	2.1
58.13438	1.8
67.28918	2.1
70.78218	2.3
74.38481	2.0
77.72906	2.0
81.24128	2.1
84.25024	2.0
89.59132	2.3
91.05483	4.9
105.03265	2.3
105.07045	3.1
107.04950	2.9
109.06527	3.4
118.20853	2.1
119.04934	4.9
121.06548	4.5
121.31160	2.3
122.03641	4.3
123.08118	4.7
129.06952	3.0
135.08066	4.8
137.05983	100.0
143.04913	4.0
145.06535	3.2
149.05983	3.8
151.03845	3.3
151.07529	56.4
157.06433	3.5
161.05978	50.2
161.09605	11.6
163.07558	14.0
174.06773	5.2
175.07565	24.7
177.09097	4.8
189.09096	29.9
195.10173	19.3
207.10106	21.4
221.05988	3.8
227.10442	2.8
237.09018	4.1
246.34537	2.4
249.09172	4.1
250.93303	2.5
253.08557	11.9
265.08557	13.8
267.10077	2.9
277.08618	5.2
277.12167	3.7
281.08093	2.6
281.11453	2.7
283.09583	5.5
285.11230	9.8
294.09131	2.3
297.11295	17.2
308.10477	2.5
309.10959	2.8
311.12701	16.9
317.13901	2.8
323.12918	5.1
333.09314	4.3
336.12302	4.6
337.14377	15.7
355.15353	25.2
361.09155	9.5
362.09714	13.7
367.15344	9.5
376.11737	13.9
377.12186	60.1
436.14478	2.5
473.19812	2.9
479.20605	13.6
491.20267	3.2
509.15720	45.9
509.22049	12.1
523.75684	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08788	0.7
61.02926	5.0
69.03433	2.1
73.02926	4.2
79.65113	0.8
81.03436	10.8
81.04546	1.1
83.08625	5.6
85.02890	7.2
91.03942	4.5
91.12142	0.9
95.04976	1.9
97.02888	5.3
99.04417	1.0
99.05553	0.9
111.08111	2.1
114.05497	1.0
121.06504	1.4
127.03924	2.2
138.23203	1.0
147.04465	1.0
147.11711	1.8
147.80867	0.9
157.10091	1.2
158.49767	0.8
160.41086	0.9
175.11214	5.2
182.15533	0.9
191.15482	1.0
192.13852	1.2
193.12228	22.9
210.14989	3.6
211.13339	1.4
219.14899	10.4
224.77951	0.9
237.15799	1.4
249.89424	1.0
267.15952	5.4
284.18646	1.1
285.17673	1.1
311.19702	5.2
329.20688	19.3
347.15717	1.7
347.21738	6.6
431.28537	0.9
433.45090	0.9
491.17151	1.1
491.25970	7.3
509.20462	9.3
509.27139	100.0
534.97656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08788	0.7
61.02926	5.0
69.03433	2.1
73.02926	4.2
79.65113	0.8
81.03436	10.8
81.04546	1.1
83.08625	5.6
85.02890	7.2
91.03942	4.5
91.12142	0.9
95.04976	1.9
97.02888	5.3
99.04417	1.0
99.05553	0.9
111.08111	2.1
114.05497	1.0
121.06504	1.4
127.03924	2.2
138.23203	1.0
147.04465	1.0
147.11711	1.8
147.80867	0.9
157.10091	1.2
158.49767	0.8
160.41086	0.9
175.11214	5.2
182.15533	0.9
191.15482	1.0
192.13852	1.2
193.12228	22.9
210.14989	3.6
211.13339	1.4
219.14899	10.4
224.77951	0.9
237.15799	1.4
249.89424	1.0
267.15952	5.4
284.18646	1.1
285.17673	1.1
311.19702	5.2
329.20688	19.3
347.15717	1.7
347.21738	6.6
431.28537	0.9
433.45090	0.9
491.17151	1.1
491.25970	7.3
509.20462	9.3
509.27139	100.0
534.97656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2721
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
54.45066	0.8
61.73995	0.9
62.47295	0.8
69.07089	1.3
73.86119	1.0
81.07056	1.9
83.08624	1.6
91.05452	1.1
93.07015	1.6
95.08588	2.5
96.40253	1.0
103.58157	1.0
107.08604	1.8
116.57666	1.1
119.08549	1.3
131.08508	1.1
135.11668	1.5
145.24367	1.0
148.31094	1.0
149.09540	1.1
509.27155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05295	1.0
55.05516	12.0
57.03433	6.3
57.07077	2.5
66.49482	0.9
67.05511	38.8
69.07069	22.1
69.23070	1.0
69.73810	1.0
71.08655	0.9
79.05486	9.9
81.07062	40.5
83.04968	0.9
83.08611	14.7
85.06518	0.9
86.04570	1.0
91.05482	7.4
92.21461	1.3
93.07037	13.2
95.08601	39.6
97.06520	1.9
97.10174	7.6
98.98466	33.8
105.07038	6.3
107.08598	8.7
109.10146	12.7
111.08104	1.5
119.08566	4.3
121.10168	9.5
123.11713	5.9
125.09641	1.1
129.34186	0.9
133.10110	7.3
135.11679	5.3
139.11072	1.0
147.11655	4.1
149.13292	1.1
155.01021	19.9
161.13263	1.3
173.02101	5.8
189.16331	1.0
229.04720	4.0
233.10944	1.1
245.22592	1.4
247.05695	1.6
263.23679	5.7
319.26462	1.4
337.27328	100.0
368.66818	1.0
417.24164	1.0
473.26614	14.0
521.78680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79614	1.0
54.00418	1.0
54.38197	1.0
55.05521	12.8
57.03436	5.4
57.07077	4.9
67.05509	35.7
69.07069	17.4
71.08651	1.6
79.05503	10.4
81.07061	42.1
81.07541	1.6
83.04994	2.0
83.08620	12.3
85.06549	1.9
91.05485	6.3
93.07050	14.4
95.04968	1.3
95.08604	32.3
95.19678	1.1
97.06530	2.9
97.10161	7.3
98.98466	31.3
103.83243	1.3
105.07040	2.7
107.08598	10.0
109.10159	18.8
119.08557	4.8
121.10126	6.1
123.11702	7.8
133.10135	5.6
135.11678	4.3
147.11693	2.0
149.13234	1.9
151.14793	1.8
153.12778	1.8
155.01051	19.0
161.13243	1.8
173.02109	6.0
181.44360	1.1
193.16328	1.2
201.83157	1.1
229.04689	1.5
245.22443	1.4
247.05865	1.7
263.23749	4.9
294.24301	1.6
307.17340	1.3
337.27353	100.0
401.04617	1.3
426.96930	1.4
473.26505	15.9
509.13275	1.9
509.22549	4.4
509.31522	1.3
509.38956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.3
56.69021	1.3
57.03434	6.1
57.07076	1.9
67.05177	2.3
67.05505	35.3
69.07069	17.5
71.05001	1.9
79.05497	9.9
81.07066	43.8
82.54748	1.7
83.08631	11.2
84.76507	1.6
91.05460	3.8
93.07051	19.1
95.08600	39.0
97.06532	2.9
97.10149	6.7
98.98466	32.5
105.07056	2.0
107.08593	13.1
109.10149	17.6
115.30060	1.6
119.08589	7.4
121.10165	11.0
123.11729	6.7
133.10118	6.1
135.11731	2.2
147.11710	3.4
147.37450	2.0
149.13252	2.8
155.01025	19.6
173.02107	7.4
258.75241	1.5
285.89197	1.5
294.24326	3.5
309.96524	1.6
337.27344	100.0
337.31421	3.5
473.26297	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79614	1.0
54.00418	1.0
54.38197	1.0
55.05521	12.8
57.03436	5.4
57.07077	4.9
67.05509	35.7
69.07069	17.4
71.08651	1.6
79.05503	10.4
81.07061	42.1
81.07541	1.6
83.04994	2.0
83.08620	12.3
85.06549	1.9
91.05485	6.3
93.07050	14.4
95.04968	1.3
95.08604	32.3
95.19678	1.1
97.06530	2.9
97.10161	7.3
98.98466	31.3
103.83243	1.3
105.07040	2.7
107.08598	10.0
109.10159	18.8
119.08557	4.8
121.10126	6.1
123.11702	7.8
133.10135	5.6
135.11678	4.3
147.11693	2.0
149.13234	1.9
151.14793	1.8
153.12778	1.8
155.01051	19.0
161.13243	1.8
173.02109	6.0
181.44360	1.1
193.16328	1.2
201.83157	1.1
229.04689	1.5
245.22443	1.4
247.05865	1.7
263.23749	4.9
294.24301	1.6
307.17340	1.3
337.27353	100.0
401.04617	1.3
426.96930	1.4
473.26505	15.9
509.13275	1.9
509.22549	4.4
509.31522	1.3
509.38956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05518	13.3
57.03447	9.8
57.07077	2.3
63.41766	1.2
66.74204	1.2
67.05515	30.0
69.07080	19.5
71.08635	1.3
79.05508	11.3
81.03431	1.2
81.06324	1.2
81.07065	45.5
83.08617	11.3
85.06598	1.2
91.05486	5.3
93.07057	16.1
95.08015	1.2
95.08614	36.0
97.06544	2.0
97.10170	8.3
98.98470	27.0
99.08078	1.4
100.35131	1.2
105.07018	6.5
107.08624	11.8
109.10174	15.5
111.08116	1.1
111.11696	1.3
119.08564	5.2
121.10152	8.3
123.11718	7.8
133.10158	5.4
135.11710	5.5
137.13251	1.7
147.11697	5.9
152.00978	1.5
155.01048	16.9
173.02106	4.9
182.03430	1.9
183.87837	1.3
203.18001	1.8
245.22586	1.7
247.05800	1.5
262.40686	1.3
263.23782	2.8
311.38571	1.4
337.27362	100.0
473.26505	14.0
509.22513	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79614	1.0
54.00418	1.0
54.38197	1.0
55.05521	12.8
57.03436	5.4
57.07077	4.9
67.05509	35.7
69.07069	17.4
71.08651	1.6
79.05503	10.4
81.07061	42.1
81.07541	1.6
83.04994	2.0
83.08620	12.3
85.06549	1.9
91.05485	6.3
93.07050	14.4
95.04968	1.3
95.08604	32.3
95.19678	1.1
97.06530	2.9
97.10161	7.3
98.98466	31.3
103.83243	1.3
105.07040	2.7
107.08598	10.0
109.10159	18.8
119.08557	4.8
121.10126	6.1
123.11702	7.8
133.10135	5.6
135.11678	4.3
147.11693	2.0
149.13234	1.9
151.14793	1.8
153.12778	1.8
155.01051	19.0
161.13243	1.8
173.02109	6.0
181.44360	1.1
193.16328	1.2
201.83157	1.1
229.04689	1.5
245.22443	1.4
247.05865	1.7
263.23749	4.9
294.24301	1.6
307.17340	1.3
337.27353	100.0
401.04617	1.3
426.96930	1.4
473.26505	15.9
509.13275	1.9
509.22549	4.4
509.31522	1.3
509.38956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.9
69.07061	0.8
73.45245	0.7
79.47148	0.6
80.58503	0.5
81.07059	0.8
83.08644	1.0
95.08622	1.2
109.10169	1.1
447.10916	0.6
453.70135	0.7
509.34470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.8
57.07072	4.6
67.05504	19.1
69.07063	14.9
71.08633	5.2
79.05501	6.7
79.37292	2.8
81.07048	32.7
83.08632	17.7
91.05514	3.7
92.21549	4.7
93.07061	14.7
95.08618	24.5
97.06540	6.3
97.10161	14.7
100.07620	2.9
105.07049	4.7
107.08624	13.9
109.10163	13.9
111.08072	4.3
119.08624	4.3
121.10123	31.4
123.11737	5.0
131.08659	4.2
133.10162	4.8
135.11696	6.0
138.12825	6.6
139.11203	15.6
147.11642	3.9
149.13278	21.0
156.13858	13.8
166.15903	26.3
167.14346	4.4
184.13348	93.7
184.16939	11.8
202.14369	25.9
204.50635	3.5
212.16444	100.0
230.17538	38.4
280.26239	15.8
308.29501	19.1
344.10858	3.5
382.26508	3.2
457.90012	3.3
473.37000	3.5
509.39896	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10983	4.2
52.61456	3.7
55.05518	11.5
57.07071	8.6
59.01417	4.2
67.05502	10.5
69.07059	25.1
70.60879	4.2
71.08619	6.2
79.05488	7.6
81.07066	27.3
82.07905	4.2
83.08604	20.1
84.35599	4.2
85.94945	4.8
93.07052	18.4
95.08594	26.7
97.09560	5.1
97.10168	17.7
107.08601	8.1
109.10126	19.3
119.08527	5.9
121.10136	28.6
123.11657	6.4
123.70838	5.0
133.10135	6.8
139.11177	11.3
147.11749	5.0
149.13226	21.2
156.13821	6.4
166.15930	19.8
167.14320	5.0
167.26674	4.9
180.94012	5.3
182.15384	8.0
184.13351	77.5
196.17007	7.9
202.14436	23.0
202.51099	4.7
212.16417	100.0
230.17480	35.2
259.05606	5.0
280.26407	17.2
308.29227	8.5
385.01624	5.6
388.29999	5.5
469.65253	5.3
509.42319	4.8
516.76471	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14311	1.9
60.99383	2.4
69.36565	2.4
74.84412	3.0
86.90292	2.5
100.55462	2.4
149.06013	10.6
155.44296	2.8
157.21504	2.5
163.24738	2.5
176.07057	32.2
177.07881	4.5
192.06552	41.2
194.08105	4.2
215.10600	5.1
245.11713	24.8
258.16019	2.8
271.16818	3.2
307.19461	2.6
311.37073	2.4
319.08377	17.5
320.05609	4.9
320.09076	25.2
334.10690	100.0
336.12234	3.8
342.07550	3.6
344.08798	3.5
356.09094	4.8
357.09906	5.8
360.08768	4.5
370.42548	2.8
372.08542	3.8
373.09579	3.8
374.10098	5.7
418.09055	20.8
426.07208	4.7
438.07370	10.2
448.13770	3.9
478.11292	21.4
492.12982	18.2
510.13831	21.3
510.17538	18.9
510.24295	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29148	0.5
55.59956	0.5
58.06579	3.1
60.04522	0.8
65.54105	0.5
82.31892	0.6
85.02866	0.8
91.05461	0.7
99.05528	0.7
106.44795	0.6
116.05879	0.6
121.06416	0.8
123.43757	0.6
137.05896	3.5
151.07578	0.6
152.07056	0.6
164.06940	3.7
167.06923	1.3
169.08551	0.9
171.76187	0.6
178.08575	4.8
179.06866	0.7
190.08463	0.6
207.94539	0.8
209.08102	0.7
292.09659	14.5
304.09497	3.8
306.07730	5.5
312.12173	1.5
313.12741	0.8
314.13644	0.9
314.76804	0.8
320.09171	18.6
321.09964	38.2
322.10693	6.2
324.12167	1.3
336.12302	100.0
346.31024	0.6
380.83722	0.7
510.17093	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03499	1.1
59.99394	1.2
60.07425	1.2
79.05487	1.3
79.80641	1.3
91.05472	10.1
119.04935	16.0
137.05963	2.2
149.05974	77.9
177.02061	1.6
223.98564	1.4
321.09970	1.7
324.08649	8.7
338.10239	48.1
339.10962	19.0
349.09436	2.4
362.10196	2.8
366.09814	15.6
380.11359	5.0
391.10452	6.9
392.11600	2.4
393.08417	2.7
408.10773	34.6
409.06247	1.6
409.11478	42.6
422.12317	46.4
433.14963	5.7
440.13330	27.4
478.14975	44.3
510.17517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29148	0.5
55.59956	0.5
58.06579	3.1
60.04522	0.8
65.54105	0.5
82.31892	0.6
85.02866	0.8
91.05461	0.7
99.05528	0.7
106.44795	0.6
116.05879	0.6
121.06416	0.8
123.43757	0.6
137.05896	3.5
151.07578	0.6
152.07056	0.6
164.06940	3.7
167.06923	1.3
169.08551	0.9
171.76187	0.6
178.08575	4.8
179.06866	0.7
190.08463	0.6
207.94539	0.8
209.08102	0.7
292.09659	14.5
304.09497	3.8
306.07730	5.5
312.12173	1.5
313.12741	0.8
314.13644	0.9
314.76804	0.8
320.09171	18.6
321.09964	38.2
322.10693	6.2
324.12167	1.3
336.12302	100.0
346.31024	0.6
380.83722	0.7
510.17093	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95280	1.1
53.82897	1.2
55.01888	1.2
58.06610	2.1
60.04528	2.2
71.15424	1.2
78.43377	1.1
85.02890	1.5
91.05501	2.5
93.03400	12.0
93.07029	2.6
95.04951	2.7
98.09243	1.3
105.07051	1.5
106.04182	12.1
117.36534	1.5
119.04944	2.9
121.06510	34.2
125.05992	11.0
128.87448	1.3
137.05994	7.4
139.07542	1.4
147.04407	7.5
149.05989	50.1
153.09088	12.9
163.07512	1.4
175.07506	1.7
177.05455	29.3
178.08629	2.9
181.08594	17.9
191.06961	1.8
193.03204	6.1
209.08080	83.7
209.10023	2.9
292.09634	12.6
304.09628	5.4
306.07828	4.9
319.08356	2.0
320.09158	18.8
321.09891	32.9
324.12372	2.5
334.10660	5.9
336.12277	100.0
339.12067	1.5
360.80042	1.5
364.40829	1.5
366.09552	12.4
384.10715	6.3
510.17331	27.0
510.25378	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39355	0.6
58.06614	0.7
64.78129	0.7
68.87283	0.7
144.19215	0.8
262.00290	0.9
292.09677	17.5
302.89694	0.9
304.09726	2.6
306.07678	6.1
320.09198	19.1
321.06122	1.1
321.07132	0.7
321.09943	42.7
322.10843	4.5
336.12299	100.0
356.05969	1.0
439.85660	0.8
478.15082	1.3
488.99283	0.8
510.17599	60.2
514.44269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03280	0.9
58.06585	2.5
85.02899	1.6
91.40477	1.1
93.03424	2.8
106.04156	7.4
119.04961	1.5
121.06483	10.7
125.06018	2.4
137.05936	1.7
147.04387	1.8
149.05956	19.2
151.07610	1.2
153.09113	7.4
177.05469	7.7
181.08580	8.1
193.03185	2.1
209.08057	33.6
280.09668	1.6
291.76627	1.2
292.09641	23.2
304.09586	3.0
306.07550	10.2
308.09048	2.7
309.09830	5.8
319.08252	1.9
320.09149	28.7
321.09958	49.1
322.10706	4.9
323.11411	4.9
324.12292	35.8
334.10620	2.1
336.12268	100.0
337.13055	1.9
338.75452	1.3
466.18643	2.2
510.17511	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35783	2.3
69.03426	4.3
72.04503	11.6
77.27306	2.1
78.23589	2.1
81.03416	8.1
83.04993	3.0
84.04504	11.5
85.02930	16.0
87.04468	2.5
90.05547	8.7
96.04475	4.0
97.02896	23.0
99.04465	12.9
101.00944	2.3
102.05550	10.8
108.04473	29.1
109.02885	15.1
110.06046	9.0
112.03987	2.9
113.48448	2.2
115.03924	37.7
121.06507	2.7
122.06090	3.7
126.05524	20.8
127.03940	16.8
134.06010	8.8
138.05508	67.0
145.04924	11.8
150.05533	39.1
156.06567	23.9
158.08318	2.3
162.05518	11.3
168.06535	27.8
174.07626	18.8
180.06578	31.0
187.05942	2.3
198.07625	33.1
216.08707	16.2
234.07550	4.6
234.09708	8.9
276.08759	4.3
294.09708	16.2
306.09793	4.6
312.10782	20.5
324.10867	13.3
342.11829	10.7
345.81281	2.7
360.12793	4.2
378.14038	12.8
423.87506	2.9
426.13983	11.8
438.13757	3.9
456.15054	44.7
474.15991	11.8
492.09958	3.5
492.17093	100.0
510.18185	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33164	1.7
51.45763	1.9
53.61863	1.9
58.06596	8.8
68.24416	2.0
69.03428	10.8
70.06615	2.6
71.02374	2.3
71.04990	2.4
81.03411	3.6
85.02914	22.4
90.14072	2.0
91.05473	2.6
94.09209	2.0
96.99344	2.0
97.02886	12.1
99.04474	2.8
107.04945	3.0
119.04924	3.4
123.04456	4.4
125.20315	2.2
127.03919	4.3
131.04897	9.2
133.02911	4.8
135.04428	10.5
137.05968	68.8
146.03593	2.6
147.04417	17.0
149.05968	9.6
151.07549	9.7
153.05479	18.9
161.06027	18.2
165.05461	31.9
166.06236	8.2
166.08540	2.8
167.07024	10.8
173.05969	8.8
175.18483	2.1
177.05455	100.0
178.06245	90.7
179.07089	8.3
191.07085	3.6
193.04996	2.5
239.10649	4.5
281.08112	3.5
301.10730	28.3
313.10696	41.1
330.61584	2.5
331.11829	38.8
348.14474	83.4
510.19580	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66307	1.5
55.01887	25.7
64.18430	1.6
69.03440	2.3
81.03434	1.8
84.04513	3.0
85.02911	4.1
86.06069	4.5
87.04475	11.5
98.06059	16.5
99.04461	12.2
104.07108	2.5
106.06562	2.6
108.04530	8.0
109.02870	2.6
116.07135	2.5
126.05544	3.5
128.07053	3.6
130.70145	1.8
134.06018	9.9
137.07446	2.4
138.09143	3.1
147.04430	36.4
148.07620	9.3
176.07060	45.0
176.12292	2.0
181.46178	2.0
182.08130	2.2
191.07124	15.1
194.08131	44.8
212.09207	10.9
230.10136	3.9
248.11452	2.4
371.84470	2.2
402.83615	2.0
474.17560	15.4
492.18594	53.1
510.19699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	26.9
69.03419	1.5
70.06628	2.1
75.97076	1.1
76.03300	1.4
77.97314	1.2
81.03442	6.8
84.04508	2.4
85.02920	7.0
86.06057	9.4
87.04471	17.4
87.16711	1.2
91.05506	1.9
97.02916	2.1
98.06047	20.7
98.06534	1.3
99.04446	15.2
106.06608	5.1
107.04987	1.5
108.04507	6.5
109.02901	3.1
110.06072	2.0
114.58137	1.2
116.07130	6.9
121.06546	7.0
124.07632	2.7
126.05540	5.0
127.03905	2.9
128.07126	5.7
134.06003	12.6
138.09154	4.8
140.07091	2.0
145.02870	3.0
146.08131	2.8
147.04401	43.3
148.07603	8.2
157.05009	1.5
159.60599	1.4
165.05458	1.6
166.08653	7.1
173.05975	5.4
176.07063	56.4
177.05544	6.2
182.08237	1.8
191.07007	19.5
194.08107	54.3
194.09845	1.9
199.29718	1.3
212.09169	10.0
230.10315	7.1
245.08156	3.0
248.11469	2.5
383.68808	1.5
427.37799	1.7
474.17496	14.1
492.18652	60.8
510.19788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	35.5
58.06628	1.6
69.03430	2.4
70.06597	3.6
81.03411	6.4
84.04507	3.0
84.80914	1.6
85.02898	9.8
86.06068	10.9
87.04474	15.2
88.10227	1.6
96.04523	1.5
98.06047	18.1
99.04460	16.2
106.06557	6.7
107.04945	1.9
108.04472	7.3
109.02922	2.0
110.06020	1.9
116.07085	8.5
119.05006	1.9
125.04744	2.0
126.05497	6.5
127.03918	2.0
128.07082	3.1
134.05963	11.2
138.09081	2.2
140.07063	1.8
147.04401	39.3
148.07610	10.2
164.07066	3.0
166.08659	3.6
173.06006	3.6
176.07072	55.8
182.08185	2.7
191.07031	21.3
194.08133	62.3
212.09209	9.5
230.10260	7.7
245.08031	2.7
248.11388	2.4
464.30066	1.7
474.17520	19.5
492.18680	73.8
492.25815	2.4
510.19705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97107	0.4
69.03437	0.7
78.70983	0.4
85.02905	5.2
93.03406	0.4
97.02887	1.9
99.88091	0.4
103.05476	2.3
107.04951	0.7
111.04453	1.8
120.08103	100.0
121.75122	0.4
125.05979	2.0
127.03893	0.8
131.04913	3.6
137.11382	0.5
145.04890	1.7
148.30063	0.4
149.05997	2.5
151.03922	1.9
153.05446	1.9
163.06004	0.7
166.08623	46.5
169.04929	5.4
172.63826	0.4
187.06908	0.5
206.23471	0.4
220.09399	0.5
221.55437	0.4
227.42671	0.4
372.40808	0.5
447.70053	0.5
450.04596	0.5
510.18991	0.5
533.32220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2125
Annotation	erythro-Canabisine H
Peak:m/z	Relative Intensity
53.32166	0.4
65.80362	0.5
67.67668	0.4
81.06993	0.6
85.02879	0.5
93.49694	0.5
97.65598	0.5
99.14680	0.5
99.75370	0.5
104.43288	0.4
110.23113	0.5
161.09598	0.8
189.09012	0.8
209.58005	0.5
231.57719	0.5
237.14923	0.5
292.09680	10.0
304.09598	2.2
306.07553	3.7
313.16309	0.7
320.09146	10.8
321.09940	32.3
322.55948	0.5
336.12292	100.0
362.56360	0.6
379.49179	0.6
406.69736	0.5
440.25037	0.5
496.26230	0.5
510.21307	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.212
Annotation	erythro-Canabisine H
Peak:m/z	Relative Intensity
65.53922	0.9
75.27304	0.8
79.01624	1.1
91.05477	6.9
93.07029	6.7
102.67000	1.0
103.05470	2.0
112.99196	1.1
117.03365	1.8
119.04940	7.4
121.05627	2.2
121.06498	55.7
123.08054	1.0
133.02849	7.6
136.07547	2.0
137.05969	9.8
145.02853	36.1
147.04425	9.8
149.05960	6.0
151.07506	1.9
161.05945	1.7
164.07135	1.3
165.05516	1.9
175.03903	5.5
177.05461	100.0
192.06534	11.3
201.05458	34.2
213.05476	2.6
292.07391	1.3
312.12244	21.0
314.13876	6.9
325.10687	4.5
337.10455	1.7
355.11859	10.7
356.14914	1.5
401.79086	1.3
462.19119	14.1
492.20178	20.2
510.21292	31.4
526.50476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59203	0.4
56.84972	0.4
61.02933	1.0
66.26920	0.5
69.03421	2.0
73.02921	0.9
81.03442	0.8
84.08144	0.9
85.02904	15.2
91.03944	0.6
91.05468	5.5
95.04970	1.1
97.02901	6.4
99.04445	0.4
109.02864	0.9
112.14561	0.4
116.98906	0.5
119.04961	4.9
127.03895	4.2
129.10255	0.9
137.05954	0.6
138.05606	0.5
139.61565	0.5
142.58495	0.5
145.04973	4.3
151.07542	100.0
153.05392	0.7
163.06012	2.2
165.09221	1.5
169.08582	16.7
175.07483	0.6
181.08545	0.8
193.08563	1.2
199.07590	0.5
221.62677	0.5
247.06403	0.5
254.19405	0.5
259.09509	0.6
265.10556	0.7
277.10693	3.0
295.11804	1.8
325.11249	0.9
331.13855	0.7
510.20346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59203	0.4
56.84972	0.4
61.02933	1.0
66.26920	0.5
69.03421	2.0
73.02921	0.9
81.03442	0.8
84.08144	0.9
85.02904	15.2
91.03944	0.6
91.05468	5.5
95.04970	1.1
97.02901	6.4
99.04445	0.4
109.02864	0.9
112.14561	0.4
116.98906	0.5
119.04961	4.9
127.03895	4.2
129.10255	0.9
137.05954	0.6
138.05606	0.5
139.61565	0.5
142.58495	0.5
145.04973	4.3
151.07542	100.0
153.05392	0.7
163.06012	2.2
165.09221	1.5
169.08582	16.7
175.07483	0.6
181.08545	0.8
193.08563	1.2
199.07590	0.5
221.62677	0.5
247.06403	0.5
254.19405	0.5
259.09509	0.6
265.10556	0.7
277.10693	3.0
295.11804	1.8
325.11249	0.9
331.13855	0.7
510.20346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91939	0.7
69.47301	0.8
92.04724	0.8
107.19336	0.9
118.06516	1.0
132.04491	1.2
133.93567	0.7
134.06015	1.0
135.04366	1.0
136.05196	1.9
146.05952	1.0
148.05194	5.5
149.05981	22.4
161.45418	0.8
162.05473	1.8
165.05493	0.9
165.09058	1.5
174.05476	1.4
175.06242	3.5
176.07065	43.2
177.07832	12.3
177.09161	1.1
192.06543	55.1
192.10205	15.1
194.08130	12.9
201.09029	7.1
215.10657	17.2
232.07173	1.8
240.15164	1.6
243.13730	1.6
245.09248	1.6
245.11688	38.8
247.09586	1.6
256.14459	3.8
258.16138	9.0
271.16898	9.8
283.16995	0.8
301.18011	1.2
306.07571	1.1
319.08533	1.1
320.08997	1.6
321.09802	1.0
329.17368	3.8
334.07037	1.5
334.10617	5.7
336.12354	5.5
366.08746	1.4
392.42126	0.8
410.07861	2.9
426.07388	4.4
438.07733	9.2
492.23831	1.0
510.24582	100.0
510.66901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83207	0.7
55.93653	0.9
59.97982	0.9
62.83069	0.9
63.30479	1.0
75.34070	1.1
86.50343	1.0
106.15724	1.0
119.04948	1.5
132.04457	1.9
136.05176	4.1
148.05179	6.6
149.05986	26.9
159.74420	1.0
162.05496	2.1
165.09119	1.7
174.05507	1.6
175.06227	6.4
176.05533	1.6
176.07069	47.5
177.07838	13.5
177.09171	1.2
182.86162	1.0
192.06552	53.7
192.10182	8.3
194.08133	14.4
201.09171	9.4
215.10677	18.4
232.07344	2.4
245.11725	40.2
247.09596	2.1
256.14532	1.5
258.16098	9.7
271.16910	11.3
301.18002	1.4
319.08405	2.0
320.09161	6.8
329.17545	1.9
334.07098	2.0
334.10672	14.1
336.12241	6.5
352.15414	1.2
364.08002	1.4
366.09082	2.4
410.07993	6.8
426.07471	8.6
438.07602	15.2
453.61826	1.4
510.24695	100.0
510.66815	1.5
519.86377	1.2
525.73163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	9.1
67.07354	3.8
68.33562	4.4
69.03423	9.2
81.07064	15.5
86.18174	3.4
95.08611	8.6
97.02891	100.0
99.04456	75.0
109.10166	7.3
115.03942	17.2
121.06413	4.6
133.05005	4.5
190.25113	4.2
213.07547	71.3
263.23749	20.4
352.77371	4.1
385.75067	5.2
395.80557	4.1
514.49329	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.6
57.47141	0.4
58.74031	0.4
60.08170	4.4
64.79635	0.5
67.05504	0.5
69.07039	0.6
81.07030	0.5
81.36494	0.5
86.09702	19.3
92.57197	0.4
95.08605	1.1
104.10743	2.6
107.08583	0.6
109.10104	0.7
109.77052	0.4
121.10143	0.8
125.00002	11.9
137.73059	0.5
184.07330	100.0
492.34366	1.1
510.35699	16.2
510.43045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57075	0.7
54.65850	0.7
55.05500	0.8
57.07069	1.2
60.08168	8.9
67.05504	1.8
68.19233	0.8
69.07055	1.7
71.08641	1.4
72.04491	2.2
80.04504	0.8
81.07054	1.4
83.08627	0.8
85.10179	0.9
86.09703	30.8
93.07048	1.2
95.08588	2.0
97.10197	0.9
104.10744	79.7
107.08492	1.1
124.99998	13.6
184.07326	100.0
213.81937	1.0
307.12756	1.1
327.28918	1.1
346.11377	1.1
413.55588	0.9
492.34418	4.8
510.35519	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3552
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07074	2.0
57.52639	0.7
60.08167	11.0
62.26944	0.8
71.07372	1.1
71.08636	3.8
79.47150	0.7
81.07065	1.4
83.08631	1.4
84.96404	0.7
85.10174	1.5
85.11078	0.8
86.09708	35.6
95.08614	2.0
104.10747	80.1
109.10115	1.2
121.57992	0.9
124.99998	15.6
132.76164	0.8
139.23309	0.7
184.07336	100.0
293.41403	0.8
327.29028	1.6
492.34335	5.1
510.35547	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3556
Annotation	LPE(20:0/0:0)
Peak:m/z	Relative Intensity
53.00317	3.3
57.07083	28.8
62.06093	31.4
62.58274	3.2
65.27219	3.0
69.07075	5.8
71.08646	27.8
81.07052	7.5
83.08630	5.8
85.10175	19.9
95.08598	16.1
96.53563	3.6
96.57770	4.8
109.10188	4.4
110.98341	3.4
121.07647	3.3
155.01024	4.6
164.09993	3.8
173.02150	3.5
294.98825	3.6
298.93784	3.7
338.34128	24.8
369.33606	100.0
376.92072	4.0
422.71124	3.9
449.30167	7.2
492.34842	31.2
510.35522	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07075	15.7
71.86235	8.5
80.12734	8.0
81.07051	100.0
95.08585	16.6
99.04482	12.0
107.72652	9.7
112.56167	9.6
137.13274	40.8
146.28801	8.7
161.06006	12.7
192.83354	8.6
201.09158	9.9
203.10670	39.4
215.10637	15.3
233.08141	10.1
245.08134	14.2
261.82495	9.2
271.16934	8.9
279.36652	9.1
301.14334	77.1
313.14243	20.3
369.20508	23.0
381.20547	21.4
437.27005	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83085	2.5
55.05521	6.0
57.07084	65.3
67.05502	18.9
69.03442	3.4
69.07082	21.0
71.08630	72.3
81.07053	35.2
83.08624	28.9
84.19328	3.1
85.02906	13.9
85.10180	38.1
95.08606	58.9
97.02856	4.8
97.10206	11.7
109.10144	31.9
111.11735	3.8
121.10139	3.2
123.11710	15.8
127.03952	3.3
127.59901	3.1
200.45384	3.4
224.46596	3.0
239.23645	16.0
313.27380	100.0
331.28415	67.2
401.29077	29.8
510.41278	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.3
56.29217	2.3
57.07082	64.1
60.08192	3.0
67.04607	2.4
67.05506	18.3
69.03436	5.3
69.07059	13.7
69.49352	2.4
71.08633	57.2
79.05477	2.7
81.03413	2.7
81.07069	34.9
83.08614	28.1
85.02893	18.9
85.10192	31.9
86.09703	16.5
95.08600	57.6
97.02888	37.5
97.10167	11.7
99.04433	4.1
104.10736	6.5
107.08588	3.6
109.02895	3.7
109.10152	28.5
111.11688	3.4
121.10113	4.6
123.11727	21.2
124.99994	4.1
127.03915	18.1
137.29477	2.8
145.04982	10.9
152.40691	3.2
184.07336	62.3
189.38605	2.7
230.13966	3.3
239.23692	45.8
242.78616	2.9
247.22066	2.8
250.84099	2.8
294.27686	2.8
295.93228	2.5
383.27884	35.7
401.28979	100.0
447.24399	2.8
510.35739	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3648
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
52.97385	1.1
55.05518	1.7
57.03445	1.6
57.07086	26.9
60.08170	11.0
67.05502	8.1
69.07074	7.5
71.08636	27.4
77.74389	1.1
79.05516	1.3
81.07072	14.9
83.08615	13.1
85.02908	2.5
85.10189	16.3
86.09708	34.7
90.59468	1.0
92.21525	1.7
93.07069	1.3
95.08604	19.2
97.10172	6.8
104.10751	81.0
105.07014	1.2
107.08582	1.8
109.10156	13.3
118.51862	1.1
121.10132	1.5
123.11726	4.3
125.00002	16.2
125.13242	1.2
152.09941	1.1
184.07344	100.0
239.23637	8.7
257.24823	1.8
271.30414	1.2
313.27374	45.3
331.28452	26.6
401.29071	1.5
475.33078	1.6
492.34186	5.4
510.35571	55.0
523.94727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82281	1.5
55.05523	3.7
57.07071	1.7
67.05509	67.6
69.07056	6.8
79.05482	8.4
81.07057	74.9
83.08621	1.8
91.05482	2.9
93.07030	13.1
95.08603	67.3
97.06531	2.8
97.10168	2.7
99.04442	1.7
105.07044	2.6
107.08606	10.0
109.06497	2.9
109.10152	34.3
121.10153	9.6
121.87731	1.7
123.08038	1.8
123.11707	12.4
127.07562	1.9
127.11192	7.8
131.08614	3.2
133.10112	6.6
135.11685	8.6
137.09584	2.1
137.13251	8.4
140.12848	1.5
145.10112	2.4
147.11673	4.1
149.09596	2.6
149.13258	8.0
151.14825	3.2
159.11604	3.3
163.11197	2.2
173.13271	7.3
173.15497	1.9
173.40282	1.6
197.11723	6.8
204.71745	1.7
209.15361	3.0
215.12836	2.3
237.18503	1.7
243.20880	2.1
261.22284	2.2
279.23206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3919
Annotation	Lyso-PAF C-18
Peak:m/z	Relative Intensity
53.03645	1.3
55.15016	1.1
57.07084	2.5
60.08170	11.3
67.05507	2.4
67.57764	1.1
71.07373	2.1
71.08645	1.9
72.96066	1.2
81.07053	1.6
85.10187	1.6
86.09700	26.0
93.07033	1.5
96.41148	1.3
99.57980	1.5
104.10744	100.0
107.89562	1.5
125.00014	13.5
128.50548	1.4
134.46648	1.4
135.99356	1.3
151.68405	1.4
184.07321	26.0
212.16394	2.1
321.31171	1.3
363.21091	1.4
441.55548	1.4
460.05615	1.6
510.39136	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	26.4
57.03452	2.8
57.06824	3.3
57.07085	66.2
67.05502	40.0
69.03427	12.9
69.07066	48.3
71.05013	2.3
71.08636	69.4
72.04504	2.9
79.05496	4.8
79.77338	2.0
81.03406	4.6
81.06615	3.9
81.07063	82.1
83.04974	2.7
83.08624	53.1
84.81031	2.1
85.02915	17.7
85.06522	3.4
85.10191	33.5
86.09706	4.2
91.05467	8.7
93.07048	20.6
95.08607	98.4
97.02898	9.8
97.06552	4.3
97.10166	29.1
99.04503	2.9
100.07610	9.5
104.10745	8.8
105.07043	8.6
107.08601	11.3
109.02890	4.6
109.10165	57.3
111.08084	8.2
111.11702	4.5
114.09171	3.6
119.08571	14.0
121.10157	15.5
123.11693	25.1
125.13380	2.4
125.22306	2.3
127.03906	10.7
128.10764	2.7
133.10109	15.2
135.11685	8.9
137.09610	3.6
137.13263	4.0
140.10855	2.1
145.04906	3.4
147.11710	14.0
149.13255	12.3
151.14917	2.4
159.11777	2.3
159.30983	2.3
161.13295	9.2
163.14870	2.8
165.16374	4.1
175.14830	4.0
184.07346	4.3
187.82567	2.3
194.61653	2.2
199.29718	2.1
239.23766	18.4
245.22585	14.2
263.23608	20.0
280.26309	43.2
298.27454	4.2
310.55502	2.3
313.27347	22.5
331.28503	16.7
383.27835	20.4
401.28946	98.9
460.15292	2.3
510.41678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.7
57.07075	13.4
57.15092	2.7
67.05502	23.0
69.07068	25.0
71.08621	12.3
73.39866	2.7
79.05487	6.0
81.07049	46.4
83.08617	35.1
84.85482	2.8
85.10197	5.2
86.06026	3.2
91.05488	6.6
93.07045	13.3
95.08602	47.6
97.06519	3.9
97.10167	15.5
100.07602	4.8
101.11207	3.3
105.07001	7.4
107.08595	16.9
109.10164	35.5
119.08572	5.9
121.10120	15.6
123.11708	6.7
124.51225	3.2
125.09659	3.9
127.41091	3.1
133.10161	5.5
135.11702	3.3
147.11662	15.3
149.13254	6.8
161.13193	5.4
185.13571	3.1
186.40341	3.2
195.39851	2.9
245.22647	6.8
258.09793	3.6
263.23663	7.6
280.26303	27.9
318.61874	3.3
346.26984	3.9
354.53711	3.6
369.29739	3.5
510.34671	5.8
510.41562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1421
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
61.08077	0.7
78.24459	0.8
81.55004	0.8
81.55479	0.7
166.63416	0.7
178.04953	1.3
204.01675	0.9
510.11221	0.8
511.14319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1862
Annotation	Marikarin
Peak:m/z	Relative Intensity
67.05508	1.2
79.05476	1.1
79.60465	1.0
83.79589	1.1
95.47485	0.9
97.09950	0.9
107.08626	1.0
119.27933	0.9
137.05920	3.1
139.93753	1.1
167.07065	2.2
168.01616	1.0
176.07066	1.2
186.38698	1.0
187.06342	1.1
221.45409	1.0
292.06229	1.8
292.09741	1.0
306.07822	1.7
307.08466	8.0
307.11777	1.3
308.09274	1.8
320.09210	4.4
321.09946	9.4
322.10742	6.9
336.12228	13.6
337.13242	1.3
343.61597	2.3
344.63022	1.2
453.14529	7.6
465.14569	10.8
467.16296	1.1
477.14471	4.8
481.13950	15.1
495.15662	23.9
496.16495	6.9
511.18683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58332	0.9
55.05511	1.0
60.27290	0.7
70.06587	1.5
74.02436	17.6
81.03415	1.6
83.04954	1.7
85.02912	6.0
86.03239	1.4
87.05592	40.2
88.03984	5.8
97.02875	1.5
99.04447	32.4
101.23527	1.0
116.03448	5.8
117.05495	4.6
119.04889	1.0
119.07015	1.3
127.03971	2.1
128.21257	1.1
133.06082	100.0
143.08180	0.9
145.43343	1.1
151.07561	14.5
152.07837	8.0
168.06525	1.1
227.84947	1.0
261.09641	5.3
263.17004	1.0
361.15100	1.4
362.87796	1.1
369.86456	1.1
511.17633	1.1
536.53320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58332	0.9
55.05511	1.0
60.27290	0.7
70.06587	1.5
74.02436	17.6
81.03415	1.6
83.04954	1.7
85.02912	6.0
86.03239	1.4
87.05592	40.2
88.03984	5.8
97.02875	1.5
99.04447	32.4
101.23527	1.0
116.03448	5.8
117.05495	4.6
119.04889	1.0
119.07015	1.3
127.03971	2.1
128.21257	1.1
133.06082	100.0
143.08180	0.9
145.43343	1.1
151.07561	14.5
152.07837	8.0
168.06525	1.1
227.84947	1.0
261.09641	5.3
263.17004	1.0
361.15100	1.4
362.87796	1.1
369.86456	1.1
511.17633	1.1
536.53320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.3
55.75551	1.0
55.95062	1.0
69.03429	1.9
69.07057	1.9
81.03439	14.4
85.02927	8.6
91.71721	1.1
97.02888	6.5
99.04458	100.0
117.05493	6.4
123.04453	11.4
127.03924	4.5
137.05962	7.3
150.67007	1.1
151.03914	7.6
163.03928	10.8
175.07680	1.3
183.06467	10.1
191.10698	6.8
195.06552	7.7
201.05530	1.6
201.09195	1.6
203.07011	1.4
215.10672	2.5
219.06503	2.3
219.10191	7.9
251.12721	5.4
257.11780	1.6
275.12762	2.3
317.13873	5.4
404.05817	1.3
425.80356	1.3
443.43152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.9
57.03440	14.5
61.02930	32.0
66.36088	13.1
67.05508	20.6
71.48373	12.6
85.02905	17.7
91.05467	24.4
91.52449	12.9
93.07040	15.5
95.08612	16.8
95.13520	11.8
105.07047	52.3
107.08605	17.1
119.08578	19.6
129.06981	18.1
131.08583	28.2
133.10132	29.1
145.10100	75.2
147.11652	25.1
157.10077	14.0
159.11641	45.9
163.21800	13.4
173.13332	15.3
182.36549	14.1
185.13162	14.4
201.38097	13.6
238.18231	13.9
238.23941	15.7
239.17967	19.4
257.19019	90.7
292.29962	16.2
323.11652	15.3
339.14276	30.3
349.23776	100.0
355.86841	14.9
369.15735	14.4
437.48962	16.0
463.23251	13.9
511.24854	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.3
57.03431	5.2
57.07082	10.9
60.49717	0.9
65.23581	0.9
67.05223	1.2
67.05511	17.0
69.07067	25.2
71.04974	1.3
71.08630	4.5
76.55083	1.1
79.05489	5.1
80.40022	1.0
81.07060	20.1
83.08622	22.4
85.10182	5.3
93.07050	7.1
95.08610	20.4
97.06548	1.6
97.10169	12.9
98.98485	21.5
104.10736	4.8
107.08586	7.1
109.10148	9.6
111.08102	1.2
111.11695	4.3
113.09631	1.9
120.87793	1.1
121.10121	9.0
123.11700	2.2
125.09613	2.4
135.10204	1.0
135.11662	8.9
139.49619	1.1
149.13260	1.8
151.14844	1.2
155.01042	13.8
165.12756	7.9
173.02122	5.3
184.07300	1.3
265.25116	1.8
276.24283	1.3
277.21622	14.0
291.45370	1.4
294.24216	15.7
296.25620	1.6
305.24973	1.9
306.07867	1.3
311.59958	1.2
339.28943	100.0
382.05136	1.2
475.28287	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	13.9
55.07533	1.1
57.03446	9.0
57.07081	14.0
58.38531	1.0
66.26427	1.0
67.05508	16.3
69.07072	26.6
71.04986	1.9
71.08637	5.2
77.24585	1.1
79.05498	4.9
81.07057	26.8
83.08620	20.6
85.06520	1.7
93.07046	10.8
95.08606	25.9
97.06516	2.5
97.10178	12.9
98.98473	25.3
105.07047	2.4
107.08605	7.2
109.10153	17.3
111.08066	2.0
111.11705	2.6
119.08575	1.2
121.10166	13.3
123.11705	4.5
127.11157	2.0
133.10147	6.2
135.11671	10.9
140.94099	1.2
147.11674	1.6
149.13272	2.4
151.11176	2.1
155.01068	16.7
160.74657	1.2
161.09715	1.2
168.13745	2.3
173.02100	2.9
179.14267	2.0
196.13239	1.3
294.24362	5.1
296.25925	2.6
298.27127	1.6
322.27255	4.6
339.28949	100.0
475.27975	15.2
493.39783	5.2
511.34485	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3035
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
55.05529	13.9
55.07533	1.1
57.03446	9.0
57.07081	14.0
58.38531	1.0
66.26427	1.0
67.05508	16.3
69.07072	26.6
71.04986	1.9
71.08637	5.2
77.24585	1.1
79.05498	4.9
81.07057	26.8
83.08620	20.6
85.06520	1.7
93.07046	10.8
95.08606	25.9
97.06516	2.5
97.10178	12.9
98.98473	25.3
105.07047	2.4
107.08605	7.2
109.10153	17.3
111.08066	2.0
111.11705	2.6
119.08575	1.2
121.10166	13.3
123.11705	4.5
127.11157	2.0
133.10147	6.2
135.11671	10.9
140.94099	1.2
147.11674	1.6
149.13272	2.4
151.11176	2.1
155.01068	16.7
160.74657	1.2
161.09715	1.2
168.13745	2.3
173.02100	2.9
179.14267	2.0
196.13239	1.3
294.24362	5.1
296.25925	2.6
298.27127	1.6
322.27255	4.6
339.28949	100.0
475.27975	15.2
493.39783	5.2
511.34485	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
57.07098	2.5
67.05502	11.4
67.50974	2.0
69.07069	9.5
79.05484	3.4
80.04992	2.5
81.07065	15.8
82.06567	8.2
83.08613	4.4
91.05498	3.2
91.80888	2.1
93.07030	4.0
93.74606	2.6
94.06548	4.7
95.08600	10.2
96.08121	12.3
97.10165	2.4
105.06991	2.5
106.06564	11.0
107.08608	4.0
108.34881	2.3
109.10155	10.6
110.06079	4.0
119.08585	3.2
120.04453	2.4
120.08089	4.2
122.06035	4.1
123.11723	2.6
124.07600	32.1
132.08080	3.3
134.06033	2.9
135.05539	8.7
136.03941	10.9
136.07565	3.1
148.07602	8.8
150.05487	13.6
150.51894	2.3
152.07025	22.9
160.03955	12.1
160.07571	9.0
162.05496	2.4
164.07047	8.7
166.08562	3.1
176.07053	12.8
177.06729	3.4
178.04985	15.8
178.08681	3.5
179.08125	3.7
180.06517	11.4
180.10280	2.7
192.06537	5.1
194.08080	8.8
220.06070	3.9
222.07672	2.5
232.25957	2.8
324.27011	2.7
342.27731	9.1
344.29507	3.9
360.28696	15.7
370.27310	2.6
372.29044	5.2
388.28271	2.7
390.29935	9.0
408.30942	5.0
416.27902	5.1
433.30786	4.8
434.28964	19.7
451.31650	100.0
458.29129	22.5
475.31720	28.3
476.30109	72.6
493.32709	12.8
494.31171	4.7
511.33533	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55681	0.6
58.06626	0.7
79.42283	0.8
103.05471	0.8
129.85176	0.8
167.23129	0.8
272.20129	1.8
288.17065	0.9
315.19608	0.9
321.10178	1.2
336.12271	4.9
364.08170	1.0
420.25491	5.8
428.06979	0.8
451.14243	4.9
452.10791	1.0
453.12213	1.4
454.12808	10.2
467.13522	4.0
468.14447	22.8
480.14996	5.5
481.11877	3.9
482.12302	22.4
494.28650	0.9
496.06580	1.8
496.13904	64.2
497.14627	16.2
512.17004	100.0
512.29883	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13871	0.4
53.87051	0.5
73.70318	0.4
81.98797	0.5
84.76733	0.5
84.83578	0.5
161.43881	0.4
190.05054	2.4
202.04994	0.7
221.72636	0.5
238.27953	0.5
245.11833	0.6
290.08218	1.7
304.06079	2.1
306.07639	0.5
318.07645	3.1
319.08377	8.6
320.05890	0.6
320.09244	2.7
333.06491	0.6
333.10074	3.1
334.07062	11.5
334.10809	17.4
336.12054	1.7
349.09637	0.5
423.11111	3.0
424.15640	3.5
435.10901	8.1
436.11539	3.6
448.11771	2.2
450.09811	0.7
451.10403	2.9
454.13083	7.9
464.11273	0.8
465.11856	0.9
466.12964	12.1
468.14404	14.8
480.14630	9.5
482.12363	49.7
496.13959	13.2
497.14636	6.3
512.17053	100.0
512.23743	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00569	0.6
93.02664	0.7
166.40619	0.9
184.65630	0.8
228.97940	0.9
260.35425	0.7
310.46219	0.7
320.09320	1.2
335.11386	3.3
336.08664	12.1
338.37079	0.8
435.10938	7.1
436.11713	11.1
437.12903	0.9
451.14584	0.8
452.14944	1.3
454.12808	12.1
464.11566	1.4
466.12949	8.2
468.14401	27.1
468.20551	1.2
480.14447	9.7
482.12280	26.2
496.13925	36.1
497.14694	7.0
512.17059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85984	0.3
58.06601	0.4
60.11214	0.4
90.57988	0.4
99.33793	0.4
101.56496	0.4
104.75189	0.4
112.91424	0.4
131.09344	0.4
178.24849	0.4
289.07568	0.5
290.08121	9.4
302.08081	2.7
304.05960	8.8
318.07614	13.4
319.08386	46.2
320.09219	3.8
334.10724	100.0
336.12231	0.6
466.06070	0.6
481.08087	0.9
512.17310	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99958	0.5
64.97176	0.5
82.26483	0.6
86.04900	0.6
90.31909	0.5
99.79753	0.5
107.07812	0.6
138.33719	0.6
174.54947	0.6
230.15627	0.7
290.08060	10.6
302.08221	3.2
304.05988	9.9
307.52866	0.6
318.07574	14.0
319.08359	61.0
320.09167	2.3
334.10706	100.0
437.13135	0.8
452.14764	0.9
512.17004	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83390	0.6
76.65929	0.6
132.17917	0.7
145.83630	0.6
259.41159	0.6
305.10358	0.9
320.09293	1.0
336.08582	8.9
336.12402	0.9
435.11279	6.7
436.11719	9.5
448.11823	1.2
451.14664	0.7
452.14853	1.4
454.12854	10.7
464.11343	0.7
466.12872	7.1
468.14456	26.1
480.14371	10.3
482.12308	25.0
496.13907	31.7
497.14835	6.7
512.17041	100.0
525.81866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99958	0.5
64.97176	0.5
82.26483	0.6
86.04900	0.6
90.31909	0.5
99.79753	0.5
107.07812	0.6
138.33719	0.6
174.54947	0.6
230.15627	0.7
290.08060	10.6
302.08221	3.2
304.05988	9.9
307.52866	0.6
318.07574	14.0
319.08359	61.0
320.09167	2.3
334.10706	100.0
437.13135	0.8
452.14764	0.9
512.17004	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50288	0.9
57.32615	0.8
58.06578	1.1
58.16259	0.9
74.37386	0.8
81.07053	1.9
107.47858	1.0
122.02029	1.1
137.62083	0.9
147.58733	1.0
174.05501	2.1
290.08362	1.7
319.08499	4.2
320.09207	6.9
321.09674	1.1
322.10703	4.7
334.10727	9.0
359.70395	1.1
454.12753	5.8
466.12994	1.4
468.14407	20.1
480.15012	10.1
481.11340	1.4
482.12390	29.8
496.14023	54.6
497.14761	10.6
512.17053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55681	0.6
58.06626	0.7
79.42283	0.8
103.05471	0.8
129.85176	0.8
167.23129	0.8
272.20129	1.8
288.17065	0.9
315.19608	0.9
321.10178	1.2
336.12271	4.9
364.08170	1.0
420.25491	5.8
428.06979	0.8
451.14243	4.9
452.10791	1.0
453.12213	1.4
454.12808	10.2
467.13522	4.0
468.14447	22.8
480.14996	5.5
481.11877	3.9
482.12302	22.4
494.28650	0.9
496.06580	1.8
496.13904	64.2
497.14627	16.2
512.17004	100.0
512.29883	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85984	0.3
58.06601	0.4
60.11214	0.4
90.57988	0.4
99.33793	0.4
101.56496	0.4
104.75189	0.4
112.91424	0.4
131.09344	0.4
178.24849	0.4
289.07568	0.5
290.08121	9.4
302.08081	2.7
304.05960	8.8
318.07614	13.4
319.08386	46.2
320.09219	3.8
334.10724	100.0
336.12231	0.6
466.06070	0.6
481.08087	0.9
512.17310	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85984	0.3
58.06601	0.4
60.11214	0.4
90.57988	0.4
99.33793	0.4
101.56496	0.4
104.75189	0.4
112.91424	0.4
131.09344	0.4
178.24849	0.4
289.07568	0.5
290.08121	9.4
302.08081	2.7
304.05960	8.8
318.07614	13.4
319.08386	46.2
320.09219	3.8
334.10724	100.0
336.12231	0.6
466.06070	0.6
481.08087	0.9
512.17310	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85984	0.3
58.06601	0.4
60.11214	0.4
90.57988	0.4
99.33793	0.4
101.56496	0.4
104.75189	0.4
112.91424	0.4
131.09344	0.4
178.24849	0.4
289.07568	0.5
290.08121	9.4
302.08081	2.7
304.05960	8.8
318.07614	13.4
319.08386	46.2
320.09219	3.8
334.10724	100.0
336.12231	0.6
466.06070	0.6
481.08087	0.9
512.17310	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	0.8
71.05003	9.4
74.88506	0.8
85.02913	16.7
96.96353	0.7
103.07372	0.7
108.10593	0.8
130.93478	0.9
144.99675	0.8
146.98555	0.7
152.07085	0.8
156.04443	1.2
170.02826	0.9
170.16522	0.9
186.05492	35.9
186.07028	1.6
204.06563	100.0
211.79350	0.8
350.10220	6.1
350.14056	1.6
366.11850	11.0
437.30231	0.8
512.17743	49.1
512.25745	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1764
Annotation	Hygromycin A
Peak:m/z	Relative Intensity
53.32609	1.0
55.01863	1.1
61.02930	1.9
69.03430	10.1
81.03425	4.8
85.02911	18.1
97.02901	7.8
107.04966	1.8
109.02885	2.4
121.06509	7.1
123.04434	5.2
127.03959	5.6
135.04414	24.9
137.05992	20.8
139.03914	55.7
145.04913	1.5
149.05989	78.3
151.03926	6.9
153.05460	2.7
165.05481	2.8
167.03419	5.0
179.03355	1.6
183.07472	1.3
210.40282	1.2
223.07603	1.6
224.94589	1.4
240.07826	4.7
241.08562	9.8
244.07318	1.2
255.06537	2.2
269.08081	25.8
271.09619	1.4
273.07590	1.6
287.09128	42.5
315.08606	2.4
333.09753	17.6
350.12314	43.6
512.17639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05086	0.4
61.02890	0.5
69.03430	0.8
70.06590	1.9
81.03398	0.7
83.22955	0.5
85.02898	1.0
85.06487	0.6
91.05473	2.8
93.07063	7.9
94.06564	1.1
95.04970	2.3
95.87402	0.5
97.02885	0.8
99.04455	6.8
103.05447	3.4
107.04958	0.6
108.08114	0.8
109.10171	0.7
110.06052	0.7
114.05487	0.5
116.07182	0.5
121.06503	100.0
127.03905	0.5
135.11700	2.0
136.07639	0.8
137.05949	0.5
138.05455	0.5
140.07114	0.6
156.06544	2.2
176.07178	0.6
177.05511	0.8
180.06635	0.7
188.42856	0.5
272.11200	0.5
272.52084	0.4
276.10770	0.9
290.12292	0.6
294.11893	0.7
310.07123	0.6
338.06616	2.1
388.15979	1.0
392.15616	0.5
420.68082	0.5
512.21179	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05086	0.4
61.02890	0.5
69.03430	0.8
70.06590	1.9
81.03398	0.7
83.22955	0.5
85.02898	1.0
85.06487	0.6
91.05473	2.8
93.07063	7.9
94.06564	1.1
95.04970	2.3
95.87402	0.5
97.02885	0.8
99.04455	6.8
103.05447	3.4
107.04958	0.6
108.08114	0.8
109.10171	0.7
110.06052	0.7
114.05487	0.5
116.07182	0.5
121.06503	100.0
127.03905	0.5
135.11700	2.0
136.07639	0.8
137.05949	0.5
138.05455	0.5
140.07114	0.6
156.06544	2.2
176.07178	0.6
177.05511	0.8
180.06635	0.7
188.42856	0.5
272.11200	0.5
272.52084	0.4
276.10770	0.9
290.12292	0.6
294.11893	0.7
310.07123	0.6
338.06616	2.1
388.15979	1.0
392.15616	0.5
420.68082	0.5
512.21179	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60304	1.5
57.03438	4.0
57.51325	1.7
58.06599	10.2
61.02917	4.3
69.03424	11.4
69.07060	2.0
70.06625	2.4
71.05001	13.8
72.09650	1.7
73.02911	4.5
79.05489	3.6
81.03416	3.6
81.06615	2.4
81.07063	45.6
83.55829	2.1
83.60365	2.1
84.08149	2.1
85.02908	100.0
85.06527	9.7
87.04450	2.6
88.27837	1.6
91.03944	8.2
91.05437	2.9
93.07049	49.5
95.08579	3.0
97.02881	26.1
99.04449	8.3
107.08587	26.5
109.02847	11.2
109.10219	2.5
115.03957	8.1
125.02372	7.0
127.03899	27.6
133.04948	20.9
135.11697	51.1
136.73370	1.8
137.13251	11.5
145.04971	37.5
163.05997	11.3
163.07365	2.1
177.05417	2.3
179.05508	23.6
211.76888	2.2
221.30748	2.0
277.12204	1.9
282.56647	2.4
308.09137	2.9
322.10605	2.9
323.11374	3.6
325.11328	20.8
336.08539	4.7
337.09360	11.1
338.13885	11.6
366.09943	4.4
512.15100	14.5
531.38586	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2986
Annotation	Cytochalasin Ppho
Peak:m/z	Relative Intensity
53.58131	0.7
56.05047	45.3
57.07077	6.8
57.43917	0.6
59.69767	0.6
62.08052	0.6
66.05177	0.6
67.05496	0.9
69.07048	1.2
71.08628	4.1
74.06081	3.0
75.14581	0.7
81.07046	1.6
83.08681	0.8
85.10172	3.3
95.08595	4.5
97.97984	0.7
99.01022	0.7
99.73704	0.7
102.05549	100.0
109.10211	1.1
120.06590	6.1
124.07579	0.9
131.32291	0.7
187.54384	0.8
200.40616	0.8
209.75975	0.9
264.89963	0.7
313.27338	24.1
313.30719	0.9
340.28598	1.3
494.29025	4.1
512.29742	8.4
538.04370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
57.03437	0.9
58.06599	8.9
59.07383	3.6
60.08161	3.8
60.26126	0.5
61.35264	0.4
62.72441	0.5
66.62431	0.5
67.05505	2.1
68.05698	0.6
71.08622	1.0
75.04469	1.1
79.05509	0.9
81.07056	1.2
85.02901	2.2
87.04480	1.2
91.03969	0.7
93.07045	1.1
95.04906	0.5
95.08588	0.8
105.05519	0.7
107.08561	0.6
109.10137	0.8
110.09949	0.5
131.07034	0.9
134.86382	0.5
144.10210	6.5
151.11168	1.0
162.11302	3.7
176.07025	0.6
236.14915	100.0
261.08066	0.6
277.21606	0.8
290.08142	0.9
301.20026	0.8
302.82968	0.5
319.08298	10.1
328.59970	0.6
334.10730	32.9
336.12372	2.5
362.71228	0.6
478.20468	0.7
494.34543	4.4
512.24487	13.7
512.35791	70.0
531.13928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
57.03437	0.9
58.06599	8.9
59.07383	3.6
60.08161	3.8
60.26126	0.5
61.35264	0.4
62.72441	0.5
66.62431	0.5
67.05505	2.1
68.05698	0.6
71.08622	1.0
75.04469	1.1
79.05509	0.9
81.07056	1.2
85.02901	2.2
87.04480	1.2
91.03969	0.7
93.07045	1.1
95.04906	0.5
95.08588	0.8
105.05519	0.7
107.08561	0.6
109.10137	0.8
110.09949	0.5
131.07034	0.9
134.86382	0.5
144.10210	6.5
151.11168	1.0
162.11302	3.7
176.07025	0.6
236.14915	100.0
261.08066	0.6
277.21606	0.8
290.08142	0.9
301.20026	0.8
302.82968	0.5
319.08298	10.1
328.59970	0.6
334.10730	32.9
336.12372	2.5
362.71228	0.6
478.20468	0.7
494.34543	4.4
512.24487	13.7
512.35791	70.0
531.13928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97599	2.5
57.07069	3.2
57.79513	2.4
69.07066	2.3
71.08635	3.0
85.65835	2.4
89.06033	100.0
89.48678	3.4
93.53816	2.8
104.72587	2.7
133.08586	40.3
162.33296	2.6
166.23088	2.6
177.11232	5.0
249.57761	2.7
253.09393	3.0
276.45355	3.0
327.20105	66.8
495.38699	5.4
512.41797	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02873	1.3
59.29105	1.4
66.29112	1.8
99.84137	1.8
110.82555	1.7
119.01890	2.1
124.30898	2.1
127.02412	2.7
131.49834	1.8
137.88275	1.8
143.01906	25.9
145.03471	17.2
155.01888	17.9
157.03461	3.7
161.02914	20.8
163.04460	3.2
167.01917	8.5
169.03548	3.4
171.01366	11.6
173.02917	23.0
179.01837	1.8
183.01411	2.0
185.02963	40.5
185.48726	1.6
187.04567	9.2
189.02483	23.9
197.03006	13.9
199.04477	2.3
201.02565	2.3
203.03996	13.4
207.03502	7.5
213.02362	6.7
215.03981	14.9
223.01309	2.8
227.03992	15.7
231.03497	85.4
243.03506	17.4
245.05060	100.0
249.04562	10.7
255.03468	3.4
257.05035	6.9
261.04617	4.2
263.06143	13.4
275.05963	7.0
291.05646	10.0
305.06934	2.7
333.06647	8.5
351.07751	14.9
365.09024	9.2
393.08755	9.1
513.12756	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1368
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
53.25627	0.7
55.23686	0.7
57.55609	0.8
65.15880	0.7
66.01418	0.8
68.35298	0.9
70.06585	3.9
84.08146	1.1
85.43217	0.8
86.09726	1.2
87.05606	1.0
89.24014	0.8
94.22935	0.9
116.07085	0.8
133.06117	3.4
145.02846	1.2
167.07056	1.4
168.07523	0.9
177.05496	6.1
189.05444	1.3
203.68463	0.9
205.08485	0.8
228.04872	0.9
513.13708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98763	0.9
57.21960	1.0
67.05521	1.2
79.27969	1.0
81.07075	0.9
89.66726	0.9
93.07065	1.2
95.08607	1.4
95.33619	1.0
100.89067	1.2
116.97366	1.0
175.03874	1.7
185.16682	1.3
207.06465	1.3
226.35982	1.1
256.21194	1.3
320.09137	4.9
322.10394	1.1
334.10922	1.3
336.12360	1.6
337.12659	2.5
423.13409	1.8
424.15030	1.2
452.13647	13.2
455.12213	1.9
463.12985	1.8
469.14011	5.9
479.12311	23.9
480.13074	9.7
483.11841	1.8
497.13345	37.6
498.14346	7.3
513.16559	100.0
513.22968	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55056	0.2
82.70086	0.3
90.71835	0.2
97.43575	0.3
122.94625	0.3
125.64922	0.3
290.08093	10.5
291.08609	0.5
294.07657	0.4
302.08139	3.1
304.06030	9.5
318.07605	12.1
319.08389	53.1
320.09134	2.3
321.09497	0.4
334.10724	100.0
335.11142	1.2
336.12268	1.2
495.15576	0.3
513.16602	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.7
67.05495	1.1
79.05486	0.6
81.07024	0.9
91.05490	1.1
93.07050	2.6
95.08623	1.0
95.10547	0.6
99.04424	0.6
105.07007	1.4
107.08588	1.1
109.10139	0.9
112.96205	0.6
117.31583	0.6
119.08617	1.4
121.10123	0.8
131.08594	0.6
131.62202	0.6
133.10141	1.2
135.11687	2.1
144.93011	0.6
145.10143	1.1
147.11728	1.2
161.13219	0.9
259.20648	0.8
319.08185	0.9
320.09119	1.2
321.09839	0.7
334.10837	2.3
336.12241	0.9
337.12640	1.4
351.24988	4.4
423.13315	3.1
451.12387	0.7
452.13620	16.8
455.12631	2.9
469.14200	4.7
477.28433	0.8
479.12338	22.8
480.12979	9.1
481.13748	1.0
483.12057	3.2
497.13412	38.7
498.14227	6.9
513.16559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55056	0.2
82.70086	0.3
90.71835	0.2
97.43575	0.3
122.94625	0.3
125.64922	0.3
290.08093	10.5
291.08609	0.5
294.07657	0.4
302.08139	3.1
304.06030	9.5
318.07605	12.1
319.08389	53.1
320.09134	2.3
321.09497	0.4
334.10724	100.0
335.11142	1.2
336.12268	1.2
495.15576	0.3
513.16602	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.212
Annotation	Bannaxanthone F
Peak:m/z	Relative Intensity
62.32162	3.8
81.03460	5.8
104.21673	4.5
117.07014	16.4
132.61705	4.2
136.05212	4.6
141.80263	4.5
145.06477	40.9
154.53499	4.9
166.06226	19.2
167.07021	8.6
173.05986	10.1
175.07610	9.2
181.08568	38.2
188.08356	7.9
188.88300	4.3
191.07060	6.2
203.63881	4.2
204.11504	17.5
205.08676	6.1
207.10181	4.8
216.04259	4.9
217.05002	31.7
217.08662	6.5
218.09369	5.9
219.10236	8.1
220.10950	9.9
223.06012	7.1
228.11411	6.1
231.06496	100.0
231.10242	20.1
233.11926	5.1
234.05188	6.8
235.13307	30.7
249.07478	35.8
261.07596	23.2
275.09125	10.7
306.73480	4.3
308.10727	5.8
315.12228	26.5
319.08218	20.8
320.08743	7.4
334.10782	26.1
335.11014	21.7
336.10187	4.8
337.10532	6.3
343.11874	5.4
346.33356	4.5
351.12347	5.8
352.13058	8.8
383.14728	5.3
411.13995	7.5
429.15143	10.2
445.14944	9.9
482.08160	9.0
513.22113	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64335	1.0
53.03953	1.5
55.34218	0.9
57.64865	1.0
58.06607	1.1
59.51431	1.1
74.02446	20.2
79.31522	1.0
79.48399	1.2
81.03419	8.2
84.08154	2.4
85.02901	6.1
85.06544	37.7
87.05592	34.6
87.78337	1.2
88.03981	7.4
93.10530	1.3
97.02903	1.9
99.04457	100.0
103.07592	1.6
106.42946	1.1
109.02899	1.6
116.03468	9.4
117.05473	15.7
117.31834	1.3
121.08603	8.7
127.03918	4.3
133.06090	93.3
145.05066	1.5
192.10220	2.3
193.10443	1.3
243.08635	1.8
261.09671	23.4
265.12823	1.4
309.09933	1.6
363.16507	5.0
381.17474	7.2
410.94519	1.2
513.18213	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64335	1.0
53.03953	1.5
55.34218	0.9
57.64865	1.0
58.06607	1.1
59.51431	1.1
74.02446	20.2
79.31522	1.0
79.48399	1.2
81.03419	8.2
84.08154	2.4
85.02901	6.1
85.06544	37.7
87.05592	34.6
87.78337	1.2
88.03981	7.4
93.10530	1.3
97.02903	1.9
99.04457	100.0
103.07592	1.6
106.42946	1.1
109.02899	1.6
116.03468	9.4
117.05473	15.7
117.31834	1.3
121.08603	8.7
127.03918	4.3
133.06090	93.3
145.05066	1.5
192.10220	2.3
193.10443	1.3
243.08635	1.8
261.09671	23.4
265.12823	1.4
309.09933	1.6
363.16507	5.0
381.17474	7.2
410.94519	1.2
513.18213	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40232	1.2
55.05523	2.7
57.03446	2.1
59.08717	1.1
61.02937	10.9
65.11541	1.4
67.05506	20.3
69.03422	1.5
69.07060	7.0
71.05015	1.5
73.02911	1.7
78.47372	1.4
79.05503	19.4
81.03428	2.3
81.07059	22.0
83.05006	2.0
83.08637	3.7
83.76176	1.4
85.02907	6.9
91.03948	6.4
91.05476	15.8
93.07042	26.5
95.04943	2.7
95.08609	19.5
97.02905	7.5
100.95055	1.5
105.07038	23.1
107.04953	1.9
107.08604	24.7
109.10172	10.5
117.07004	3.0
119.08591	29.4
121.06532	1.7
121.10147	21.8
123.08037	1.5
127.03902	1.9
127.07571	1.6
129.07008	3.4
131.08569	17.2
133.10138	24.1
135.11676	19.4
143.08565	7.6
145.10132	17.8
147.11710	27.7
149.09631	1.9
149.13264	10.7
155.08539	1.6
157.10136	10.7
159.11653	15.3
161.13272	16.9
163.14806	2.2
169.10120	2.0
171.11729	13.0
173.13245	7.8
175.14825	10.2
177.12611	1.7
183.11703	1.5
185.13292	11.4
187.11122	3.6
187.14818	1.8
189.12585	1.6
199.14812	3.5
205.21423	1.5
211.46591	1.5
217.98174	1.4
241.19557	11.9
259.20590	33.9
263.51761	1.8
277.21521	2.3
320.08951	2.1
321.09863	2.2
336.12296	2.8
351.25287	100.0
363.25278	2.4
367.22720	2.3
375.25220	2.3
385.23312	1.9
387.25409	2.2
417.26471	1.6
441.26352	2.4
459.27307	7.5
477.28323	3.4
495.29449	11.2
513.16583	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
57.03447	4.8
61.02918	6.5
67.05502	15.8
69.03439	4.3
69.07076	5.3
70.27053	2.7
73.02904	4.2
79.05511	19.4
81.07063	23.1
83.08604	5.3
83.77050	2.3
85.02919	6.4
91.03967	3.5
91.05473	18.1
93.07040	29.9
95.04943	3.6
95.08613	19.6
102.23618	2.6
105.07033	21.8
107.08604	21.7
109.10155	6.2
117.06981	9.4
119.08581	23.1
121.10148	22.8
123.11652	4.0
129.06982	3.6
131.08565	12.9
133.10129	31.1
135.08044	2.8
135.11713	16.2
143.08562	3.7
145.10143	16.8
147.11700	26.0
149.13261	16.0
157.10100	6.5
159.11659	19.2
161.13255	21.1
163.14693	4.0
171.11681	11.2
173.13245	15.1
175.14822	6.4
183.11815	3.2
185.13254	5.0
199.14925	3.4
225.53314	3.1
231.21059	3.4
241.19525	13.4
259.20517	39.7
266.78577	2.9
320.09082	4.3
351.25293	100.0
441.26062	4.0
477.28467	4.8
483.12048	2.9
495.29547	15.7
497.14197	6.3
513.17383	20.6
513.29907	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42170	1.8
55.05532	2.9
57.03425	2.2
57.56112	1.8
61.02932	5.5
67.05518	17.3
69.03442	3.0
69.07076	8.7
73.02918	2.7
76.88524	2.2
79.05497	17.6
81.07069	26.2
83.08623	3.8
85.02902	10.7
85.06534	3.3
87.71873	2.0
91.03976	4.2
91.05486	15.5
91.28422	2.4
93.07062	26.5
95.04951	4.6
95.08617	16.6
97.02931	3.7
100.44302	2.4
105.07038	22.5
107.08612	27.6
109.10165	5.8
117.07002	3.9
119.08594	28.2
121.10139	19.4
129.07030	2.7
131.08575	13.9
133.10143	28.2
135.11717	23.3
138.38139	2.9
143.08585	4.3
145.10110	18.5
147.11720	21.5
149.13278	12.7
157.10167	5.3
159.11707	10.0
161.13274	17.5
171.11699	14.8
173.13196	3.9
175.14798	8.9
185.13208	12.4
231.20956	3.3
231.41693	2.7
241.19536	12.4
259.20612	33.7
294.24008	3.0
301.21497	2.9
336.12134	3.1
351.25339	100.0
375.25226	3.0
388.64493	2.4
441.25980	4.2
459.26511	3.0
477.28268	3.4
495.29355	11.6
513.35565	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
73.52189	1.2
79.95203	1.0
195.43854	1.4
513.41254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66482	2.2
55.05505	12.4
57.07077	13.4
60.03893	1.7
67.05497	15.6
69.07073	21.5
71.08627	13.0
81.07061	34.9
83.08602	22.7
91.05462	2.6
93.07040	13.4
95.08608	32.9
97.06525	9.2
97.10146	15.0
100.07620	3.3
105.07003	5.0
107.08591	11.6
109.10181	15.1
111.11684	3.1
114.09118	2.2
119.08569	8.7
121.10146	7.6
123.11700	14.2
133.10120	9.5
135.11699	21.6
137.09561	2.2
137.13321	2.2
141.12682	5.1
149.13364	2.3
152.14365	19.6
153.12726	11.7
161.13269	3.1
163.11150	2.4
163.14796	3.3
170.15398	4.8
172.95287	2.3
191.94501	1.9
198.14873	84.0
216.15814	16.7
245.22545	5.1
256.26431	4.4
263.23773	3.5
280.26382	10.4
298.27280	20.8
299.25803	2.9
449.19937	2.9
495.41559	100.0
513.42242	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86311	3.4
53.70853	3.9
57.07077	16.9
67.05505	18.6
69.07081	31.5
71.08615	6.5
74.56311	4.7
79.05502	6.7
81.07074	44.3
83.08624	33.9
85.06590	5.0
85.10174	9.3
91.05460	4.9
93.07041	9.5
95.08611	40.8
97.06548	8.1
97.10175	22.6
98.64202	4.8
99.92648	4.3
107.08582	18.0
109.10172	28.9
111.08076	5.5
111.11771	4.5
112.70188	4.1
114.09140	4.2
119.08599	7.0
121.10120	16.9
123.11678	6.4
133.10127	9.1
135.11685	30.0
135.59192	4.3
137.09644	5.4
151.11179	5.3
152.14354	18.5
153.12767	9.3
155.14346	6.1
161.13214	8.3
170.11812	6.8
170.15321	4.7
172.95201	7.2
198.14876	100.0
216.15950	10.3
245.22717	5.6
280.26413	20.1
298.27530	32.0
449.19693	9.3
486.26678	5.8
495.41553	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80459	1.5
55.05506	11.0
57.07076	8.6
66.01772	1.6
67.05509	14.4
69.07074	31.2
70.49859	1.6
71.08624	11.0
79.05502	4.1
81.07061	29.5
83.08612	22.6
91.05466	2.9
92.21604	2.4
93.07045	11.5
95.08611	33.3
97.06512	9.3
97.10149	17.6
99.08118	3.7
100.07603	3.6
105.07049	3.7
107.08590	11.6
109.10172	22.0
111.08102	3.2
111.11723	8.8
113.09644	4.1
114.09192	3.8
119.08553	4.6
121.10148	7.7
123.08115	3.4
123.11716	8.1
133.10130	11.6
135.11705	32.5
137.13242	3.8
145.10054	2.3
147.11711	9.5
148.85872	1.8
149.13313	3.6
151.14865	2.6
152.14348	21.5
153.12773	15.9
161.13260	4.4
163.11168	2.9
163.14795	2.7
167.46164	1.9
170.15398	3.7
175.14810	2.1
180.13777	2.5
197.27415	2.3
198.14902	88.6
199.13474	1.8
216.15984	14.1
244.54611	2.6
245.22536	7.4
263.23679	9.6
280.26294	19.1
298.27374	29.4
299.25885	3.2
438.09967	2.1
495.41614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08587	0.9
55.05520	7.1
55.27410	1.2
56.66364	1.0
57.03440	1.2
57.07072	6.4
67.05505	10.7
69.07075	24.3
71.04983	1.8
71.08629	4.7
79.05499	2.4
81.07066	22.6
83.08629	18.5
85.06566	1.2
85.10186	5.1
86.06071	1.7
91.05459	2.4
93.07042	8.0
95.08610	28.8
97.06528	8.3
97.10172	15.8
99.08108	1.7
100.07637	2.0
105.06985	1.8
107.08612	10.3
109.10180	16.0
111.08090	2.7
111.11726	2.5
113.09652	1.8
114.09161	6.8
119.08577	2.9
121.10145	5.8
123.08079	1.4
123.11707	6.5
125.09621	1.8
133.10110	5.2
135.11702	25.4
137.13271	4.4
139.11177	2.2
145.10138	2.0
147.11702	5.9
149.13264	4.9
151.11148	1.4
151.14833	1.7
152.14386	12.9
153.12753	10.0
161.13242	4.8
163.11292	1.6
163.14847	2.2
165.12766	1.5
165.16388	1.8
170.15417	7.8
175.14813	1.5
180.13823	1.6
181.12199	1.8
189.16487	1.7
198.14899	64.9
199.13269	2.0
216.15910	13.8
220.84531	1.3
223.65442	1.4
245.22717	5.1
263.23633	6.1
280.26303	13.2
298.27380	11.7
299.25626	1.9
495.41541	100.0
513.43152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.3
65.61340	0.2
66.44449	0.2
82.64276	0.2
95.15114	0.2
96.38631	0.2
96.60407	0.2
104.66280	0.2
114.03409	0.2
172.03917	11.3
173.67508	0.2
190.04988	100.0
191.28822	0.2
208.22456	0.3
218.04475	3.5
290.07742	0.2
306.88113	0.2
318.07352	0.3
319.08395	1.1
320.09247	2.3
323.11389	0.3
334.10672	3.3
336.12201	0.8
364.08585	0.2
468.10654	0.3
482.08600	0.4
484.13171	0.4
498.14490	0.4
514.11194	34.6
514.17633	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13556	0.2
54.87575	0.2
60.83111	0.3
66.45126	0.2
87.07953	0.3
90.18591	0.3
92.21458	0.4
122.59866	0.3
149.05994	0.4
266.07950	0.7
277.24664	0.3
296.09195	2.2
306.07657	0.3
322.06860	0.4
324.08615	23.4
350.06683	2.8
352.08115	100.0
432.17859	0.3
514.06024	0.5
514.13385	11.5
524.32343	0.3
528.23962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13556	0.2
54.87575	0.2
60.83111	0.3
66.45126	0.2
87.07953	0.3
90.18591	0.3
92.21458	0.4
122.59866	0.3
149.05994	0.4
266.07950	0.7
277.24664	0.3
296.09195	2.2
306.07657	0.3
322.06860	0.4
324.08615	23.4
350.06683	2.8
352.08115	100.0
432.17859	0.3
514.06024	0.5
514.13385	11.5
524.32343	0.3
528.23962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69875	0.2
63.63538	0.3
75.87544	0.3
88.04891	0.3
100.79800	0.3
112.41759	0.3
127.63905	0.3
141.67561	0.3
174.40022	0.4
191.10759	0.3
272.33807	0.3
290.08044	1.8
292.09589	4.4
304.06131	1.5
318.07645	2.7
319.08371	7.2
320.09174	100.0
324.08612	0.5
334.06787	0.6
334.10754	14.2
338.10355	0.5
514.14941	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97580	0.2
54.42912	0.2
61.64923	0.2
65.27991	0.2
69.85263	0.2
71.84061	0.2
73.04927	0.2
78.21740	0.2
87.31735	0.2
92.14858	0.2
104.13061	0.2
106.35951	0.2
112.74660	0.2
162.72697	0.3
199.12169	0.2
204.80595	0.2
262.08664	0.3
264.10321	0.3
290.08032	2.9
292.09622	4.9
302.08081	0.9
304.05991	2.6
318.07639	5.1
319.08359	13.8
320.09158	100.0
324.08636	3.3
334.10718	22.9
352.08215	3.4
383.36490	0.2
418.29324	0.2
514.14734	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81289	0.5
62.48936	0.5
75.18550	0.5
88.08532	0.5
99.40714	0.6
104.61234	0.6
114.89880	0.7
125.08496	0.6
207.06604	1.2
265.09509	0.6
277.38647	0.6
292.06598	0.6
292.09537	4.7
318.07681	1.1
319.04932	0.8
319.08398	2.8
320.09155	100.0
321.09521	0.8
323.07797	0.9
324.08536	0.9
334.07007	1.1
334.10516	5.4
335.11075	0.8
336.12292	2.2
338.06644	0.9
338.10196	5.5
352.08185	7.6
371.12445	1.3
514.13684	5.9
530.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.4
75.01385	1.6
93.07030	2.6
109.06268	2.2
133.10136	2.2
143.83104	1.8
145.90152	1.8
161.01283	2.0
306.07260	2.6
320.09213	11.3
336.12216	3.3
352.25598	3.9
360.08948	3.0
422.26483	2.0
428.11411	2.6
440.11194	2.0
456.11108	6.6
470.12677	11.0
482.12549	4.2
484.10153	20.0
498.11688	8.7
514.15021	100.0
514.22089	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46220	0.3
56.20444	0.3
61.16356	0.3
61.71443	0.3
88.01955	0.3
94.65729	0.3
96.98257	0.4
101.90513	0.4
117.48569	0.4
192.93037	0.4
224.16942	0.3
290.07999	0.4
292.09677	4.6
295.43970	0.4
319.08347	0.6
320.09164	100.0
321.09979	1.3
336.12268	4.1
338.10013	0.5
348.86093	0.4
352.08133	1.8
356.02463	0.4
514.14587	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
90.10294	0.4
105.59000	0.3
145.03101	4.1
146.72289	0.4
177.05473	7.9
182.24710	0.4
223.46481	0.4
264.10352	0.4
290.08170	2.4
291.09058	0.5
292.09665	11.6
304.06274	0.4
308.09146	23.3
318.07669	3.2
319.08401	1.8
320.09180	100.0
321.09686	0.6
322.10815	0.5
334.10794	4.6
336.12152	1.6
338.10019	1.7
350.38705	0.4
362.02399	0.4
378.32214	0.5
470.15622	2.1
482.15137	0.6
484.14145	3.3
498.14716	2.2
499.16101	0.7
512.45941	0.4
514.14392	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81289	0.5
62.48936	0.5
75.18550	0.5
88.08532	0.5
99.40714	0.6
104.61234	0.6
114.89880	0.7
125.08496	0.6
207.06604	1.2
265.09509	0.6
277.38647	0.6
292.06598	0.6
292.09537	4.7
318.07681	1.1
319.04932	0.8
319.08398	2.8
320.09155	100.0
321.09521	0.8
323.07797	0.9
324.08536	0.9
334.07007	1.1
334.10516	5.4
335.11075	0.8
336.12292	2.2
338.06644	0.9
338.10196	5.5
352.08185	7.6
371.12445	1.3
514.13684	5.9
530.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35169	0.2
66.96634	0.3
71.40830	0.3
75.61626	0.3
88.43909	0.3
88.79122	0.3
95.08627	0.6
97.10145	0.5
103.27582	0.3
140.10710	6.3
154.12289	1.4
157.13341	4.2
173.25917	0.3
242.19655	0.3
292.09583	4.7
318.07816	0.5
319.08472	0.7
320.09164	100.0
321.09857	0.7
327.22726	4.1
334.10651	1.4
336.12256	2.0
352.08130	1.4
366.09329	0.4
480.36075	0.4
514.14569	4.9
514.26544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57523	0.4
53.22290	0.7
55.68626	0.5
56.95099	0.6
65.54203	0.5
66.08853	0.5
108.87724	0.5
109.49293	0.6
112.62136	0.5
125.70538	0.6
145.02815	4.7
173.13419	0.7
177.05467	6.5
212.85947	0.8
219.26749	0.6
245.32614	0.7
263.09445	1.0
277.07489	0.6
278.08072	6.4
290.08127	2.5
291.08893	28.5
292.09650	19.7
306.07709	5.8
307.08276	0.9
308.09161	22.3
308.12408	0.8
318.07654	5.8
319.08566	1.5
320.09161	100.0
334.07260	0.7
334.10779	4.0
335.11127	0.8
336.08646	0.8
336.12354	4.5
338.10248	2.3
355.26468	0.6
403.47903	0.6
426.13034	0.9
433.15320	0.8
456.14606	1.4
467.09805	0.9
470.16019	6.0
482.11777	1.1
482.99539	0.8
484.13940	6.1
498.15613	9.0
499.16058	3.4
514.14984	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01088	0.8
70.09464	0.7
71.52229	0.7
75.24013	0.7
80.24674	0.8
90.47225	0.8
113.10885	1.0
163.52847	0.8
225.80565	0.9
235.67087	0.8
290.08060	11.6
292.09677	1.9
302.08139	3.5
304.05981	12.9
318.07608	14.0
319.04654	2.1
319.08383	58.7
320.09134	35.1
334.10709	100.0
336.08533	1.1
338.09064	1.8
400.89246	1.2
433.68634	1.0
514.14917	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40245	0.4
67.31402	0.4
76.65181	0.4
86.30560	0.4
87.30479	0.4
94.05255	0.4
115.12113	0.4
116.44423	0.4
154.12250	3.2
171.14952	0.9
290.08139	3.1
292.09689	3.9
302.08145	0.7
304.05991	1.8
318.07596	3.1
319.08368	13.5
320.09164	100.0
327.22784	1.5
334.10727	24.2
341.24295	1.8
514.19086	13.3
521.86053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65285	0.0
108.65541	0.0
194.76059	0.1
217.79597	0.1
227.03886	0.0
234.09148	0.1
262.08606	0.3
264.10193	0.1
277.07370	0.2
290.08038	0.4
291.08755	0.1
292.09644	4.0
304.05786	0.1
318.07648	0.7
319.08508	0.4
320.09161	100.0
334.10745	0.7
514.14874	3.4
516.64496	0.0
517.51404	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98501	0.5
69.03426	0.5
80.71493	0.5
85.02950	0.6
97.02856	0.5
99.04440	0.6
127.03878	0.7
150.79160	0.6
170.80528	0.6
185.94653	0.6
253.71526	0.6
266.28979	0.6
290.08099	11.6
302.08228	2.6
304.06082	9.4
318.07578	14.0
319.08395	58.1
328.75085	0.6
334.10730	100.0
514.14984	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06447	0.3
55.74533	0.3
56.72025	0.3
58.18119	0.3
99.85465	0.4
149.27666	0.3
214.58823	0.4
276.06461	0.6
290.08078	12.4
302.08057	3.6
304.06018	12.1
304.09509	0.4
318.07608	17.3
319.08383	58.0
320.09161	4.8
331.53403	0.3
334.10721	100.0
336.12085	0.4
514.14978	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16825	0.2
52.40866	0.2
58.06575	0.6
60.57007	0.2
61.98257	0.2
69.27855	0.2
75.96247	0.2
78.20809	0.3
90.10297	0.3
91.66239	0.2
96.72087	0.2
127.70036	0.2
128.21619	0.2
177.90717	0.3
291.08826	0.3
294.07559	0.3
304.15182	0.3
308.09152	7.2
318.07617	1.7
319.08380	2.2
320.09094	3.6
322.07129	13.7
322.10727	1.6
323.11478	1.6
324.12231	1.2
327.20761	0.3
334.10709	2.1
336.04633	0.4
336.08624	11.7
337.09421	52.4
352.11774	100.0
470.15146	0.8
482.13943	0.4
484.11960	0.9
489.05359	0.3
498.13724	1.4
499.14682	0.4
514.17078	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1707
Annotation	957054-30-7
Peak:m/z	Relative Intensity
53.86902	0.2
58.06567	1.0
74.66055	0.2
83.99123	0.2
129.77121	0.3
146.06010	0.2
170.51794	0.3
173.07100	0.5
176.56117	0.3
190.08644	2.0
200.01628	0.3
219.51784	0.3
265.08673	0.4
291.08813	0.4
292.62030	0.3
297.11209	0.6
302.08466	0.3
304.05902	0.3
307.08224	0.4
308.09186	7.6
309.09720	0.4
318.07706	0.4
319.08401	5.0
320.09067	3.6
321.09808	0.6
322.07141	13.7
322.10693	1.4
323.11539	0.4
324.12238	1.5
334.10751	7.9
335.11081	1.0
336.08655	10.0
336.12469	0.6
337.09436	47.4
352.11792	100.0
370.77612	0.3
389.00610	0.3
424.29807	0.3
470.14542	0.5
506.35379	0.3
514.17108	65.6
521.46503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67734	0.6
50.89649	0.7
58.06602	1.1
62.28334	0.7
66.86703	0.7
88.00521	0.7
91.95195	0.8
92.89555	0.8
102.54778	0.8
120.04512	1.3
128.71101	0.8
157.73810	0.8
180.02869	0.8
308.09174	7.7
309.09842	1.2
319.08493	1.5
320.09299	4.2
322.07141	13.3
322.10696	1.3
324.12460	5.2
336.08530	9.6
337.09430	49.0
352.11771	100.0
356.07642	1.2
514.17163	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07865	0.6
69.03421	0.5
70.06596	1.0
93.64360	0.6
105.07545	0.7
113.25735	0.6
131.04974	0.7
137.06013	0.8
242.59346	0.7
264.79352	0.7
306.10806	0.8
318.07550	1.2
320.09128	7.7
324.36783	0.8
334.10678	13.8
336.08719	3.1
336.12439	0.9
337.09500	1.5
338.10281	1.3
339.10980	8.9
342.68530	0.7
352.11780	65.1
401.52478	0.8
514.17120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1703
Annotation	957054-30-7
Peak:m/z	Relative Intensity
50.67734	0.6
50.89649	0.7
58.06602	1.1
62.28334	0.7
66.86703	0.7
88.00521	0.7
91.95195	0.8
92.89555	0.8
102.54778	0.8
120.04512	1.3
128.71101	0.8
157.73810	0.8
180.02869	0.8
308.09174	7.7
309.09842	1.2
319.08493	1.5
320.09299	4.2
322.07141	13.3
322.10696	1.3
324.12460	5.2
336.08530	9.6
337.09430	49.0
352.11771	100.0
356.07642	1.2
514.17163	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44804	0.5
51.80544	0.6
58.06606	2.6
61.48471	0.5
62.18605	0.5
67.27573	0.5
80.20632	0.5
90.42345	0.7
141.51091	0.6
166.68192	0.7
168.03882	0.7
308.09140	7.1
309.10095	0.7
320.09216	4.2
322.07111	14.4
324.12280	2.9
336.08661	10.1
337.05209	1.2
337.09451	57.0
352.11792	100.0
451.71967	0.8
514.17096	63.5
515.85400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21126	0.5
74.93645	0.7
75.41201	0.5
77.06209	0.5
82.31436	0.5
117.12400	0.5
131.44533	0.7
268.67560	0.6
290.08041	4.7
292.09586	4.4
302.08105	1.3
304.05988	6.0
318.07706	8.6
319.08359	35.4
320.09167	100.0
334.10727	60.9
514.18921	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07966	0.8
57.79516	0.7
58.06608	3.4
62.92027	0.6
70.58947	0.8
81.07022	0.7
95.53492	0.7
99.04478	0.8
115.25110	0.7
137.06009	1.1
146.37077	0.8
161.23483	1.0
211.98085	0.8
290.08109	11.1
292.09821	3.5
302.08173	1.8
304.05923	7.2
318.07605	12.7
319.08386	55.5
320.09146	8.4
321.09943	14.3
334.10754	100.0
336.09134	1.5
336.12280	39.7
337.09418	1.0
456.10669	1.0
470.12064	1.8
484.09854	3.5
498.12054	8.2
499.12390	1.1
514.19446	43.8
529.70306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29942	0.5
71.69936	0.5
102.16192	0.5
107.40990	0.5
114.09188	1.2
131.91452	0.5
146.89777	0.5
207.20210	0.6
264.14319	0.7
289.21701	0.5
290.08060	8.6
292.09686	3.1
302.08032	3.2
304.06049	8.9
306.07617	6.2
318.07587	11.8
319.08395	51.8
320.09167	18.4
321.09842	4.6
334.07379	3.6
334.10715	100.0
335.07510	0.8
336.12250	12.5
338.87402	0.7
430.43112	0.6
463.13736	0.5
514.18994	49.4
537.99902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68117	0.4
57.30516	0.4
57.52063	0.4
68.00058	0.4
106.80017	0.5
129.16246	0.5
165.36487	0.5
194.36659	0.5
290.08105	8.9
302.08084	2.2
304.06058	7.8
318.07611	12.4
319.08398	50.2
320.09189	4.2
334.10733	100.0
344.28555	0.5
358.64438	0.5
368.11322	0.5
470.16180	0.5
498.15823	0.7
514.18616	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68117	0.4
57.30516	0.4
57.52063	0.4
68.00058	0.4
106.80017	0.5
129.16246	0.5
165.36487	0.5
194.36659	0.5
290.08105	8.9
302.08084	2.2
304.06058	7.8
318.07611	12.4
319.08398	50.2
320.09189	4.2
334.10733	100.0
344.28555	0.5
358.64438	0.5
368.11322	0.5
470.16180	0.5
498.15823	0.7
514.18616	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53577	0.7
71.57672	0.7
78.69720	0.6
80.77839	0.6
83.98958	0.7
121.06490	0.9
154.06976	0.7
183.10471	0.8
271.92834	0.8
300.10092	1.7
318.11194	1.2
322.10840	0.9
334.10959	0.9
336.12268	1.2
360.12381	0.9
368.11331	1.1
406.14545	2.5
407.15274	1.7
424.15552	2.4
425.16351	0.9
434.13971	2.8
435.14520	1.4
438.13480	4.0
452.14780	2.8
453.15948	1.2
454.12408	1.0
456.14389	11.7
462.13382	2.9
466.13089	4.3
470.16022	10.3
480.14627	10.1
481.15271	3.5
482.16153	3.9
484.13962	27.9
498.15475	31.9
499.16461	6.5
514.18597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29374	0.5
137.87331	0.6
142.46394	0.6
150.06883	0.6
298.51401	0.6
336.12402	0.8
360.12158	6.1
435.14520	1.2
436.67447	0.7
438.13489	0.9
452.15143	1.0
453.15875	3.1
454.12518	0.7
455.13440	1.1
456.14279	6.3
463.14340	1.0
466.13107	0.8
470.16034	19.8
480.14478	2.6
481.14905	2.4
482.16382	7.0
483.12579	1.3
484.13953	27.6
498.15445	42.2
499.16254	15.6
514.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89077	0.4
52.99493	0.4
57.07060	0.4
70.61153	0.4
74.80656	0.4
91.17900	0.4
142.35927	0.5
208.91240	0.5
284.61349	0.5
290.08121	7.3
302.08102	2.7
304.06076	8.7
318.07620	11.3
319.08389	53.7
320.09192	16.1
334.10730	100.0
514.18695	45.7
514.26447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39921	0.8
55.04892	0.7
56.17313	0.8
69.01244	1.0
72.27938	1.1
111.88947	0.9
125.09570	1.2
133.91960	1.0
142.34990	1.1
157.69249	1.0
161.33742	1.0
226.36316	1.0
292.09790	4.2
300.10333	1.0
306.07639	5.4
308.09125	4.1
319.08487	1.1
320.09186	26.0
321.09943	5.7
334.10751	2.1
336.12402	6.1
348.39999	1.1
406.14752	1.3
407.15350	1.4
424.15463	1.6
434.13828	1.7
437.12637	1.5
438.13483	4.3
441.11795	1.1
452.14978	1.6
455.13699	1.7
456.14389	9.2
466.01736	1.1
466.12961	4.0
468.14471	1.5
470.15909	16.3
480.14432	6.8
481.15073	1.5
482.16379	3.6
484.13983	24.1
498.15500	33.4
499.16302	6.9
514.18719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98560	1.1
69.92519	0.8
80.40038	0.9
92.21548	1.1
95.04995	1.2
97.18295	0.9
109.10133	1.2
110.40479	1.0
121.06516	1.2
147.11723	1.0
169.17967	1.1
182.62038	1.1
201.17389	1.2
289.21667	2.4
292.09695	12.5
306.07675	2.2
319.08435	1.9
320.09204	15.0
321.09933	34.3
334.10767	5.6
336.12292	96.9
337.12680	6.0
352.15561	2.4
360.12448	5.6
380.61240	1.0
389.25638	1.0
393.21307	1.1
435.14694	1.4
454.13126	2.2
455.13843	1.2
456.14337	7.0
470.15982	16.4
481.15051	3.8
482.16132	8.2
484.13977	24.1
498.15417	44.0
499.16458	14.0
514.18622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45908	0.6
81.88136	0.6
305.10666	1.0
320.09085	3.0
335.11557	2.7
336.08707	7.6
336.12262	1.1
389.03824	0.7
420.12299	1.3
437.12613	5.8
438.13293	8.3
450.13190	1.2
452.69501	0.8
456.14496	7.4
466.12634	1.1
467.13980	1.0
468.14346	4.8
468.57446	0.8
469.15179	0.8
470.15955	24.2
480.14236	1.1
482.15955	11.3
484.13943	27.3
498.15472	31.9
499.16229	10.5
502.64825	1.2
514.18616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63507	0.5
54.93428	0.5
74.48957	0.5
75.96915	0.5
111.22961	0.8
117.40657	0.6
137.28102	0.6
143.83141	0.6
209.14609	0.7
275.98007	0.7
290.08102	8.1
291.08566	0.8
302.08160	1.2
304.06100	8.7
318.07614	11.0
319.08377	57.6
320.08844	7.6
321.09900	0.7
334.10721	100.0
335.11041	14.2
336.12250	3.9
337.78510	0.6
470.16159	0.9
482.15427	0.7
484.13943	1.3
498.15704	2.3
499.16925	0.8
514.18628	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24442	0.7
64.64075	0.8
66.86783	0.8
68.65453	0.8
101.41683	0.9
103.03819	0.9
190.04970	1.1
235.11963	1.0
278.92218	1.1
290.08093	6.0
294.11240	2.0
304.05917	5.3
308.09192	1.4
318.07620	6.7
319.08350	16.7
320.09158	25.2
320.12625	2.8
321.09833	1.2
322.10666	5.0
323.11377	6.4
334.10721	29.3
335.11371	5.1
336.11945	7.7
337.05878	1.8
338.13782	4.4
345.78549	1.0
352.08163	5.0
439.13971	1.5
440.15262	1.8
456.14655	3.2
468.14331	1.9
470.16046	24.7
482.16241	7.9
484.07123	1.3
484.13983	22.2
498.15451	29.5
499.16312	10.5
514.18860	100.0
514.68634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63507	0.5
54.93428	0.5
74.48957	0.5
75.96915	0.5
111.22961	0.8
117.40657	0.6
137.28102	0.6
143.83141	0.6
209.14609	0.7
275.98007	0.7
290.08102	8.1
291.08566	0.8
302.08160	1.2
304.06100	8.7
318.07614	11.0
319.08377	57.6
320.08844	7.6
321.09900	0.7
334.10721	100.0
335.11041	14.2
336.12250	3.9
337.78510	0.6
470.16159	0.9
482.15427	0.7
484.13943	1.3
498.15704	2.3
499.16925	0.8
514.18628	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26082	0.2
59.37374	0.3
65.41213	0.3
70.06591	0.4
71.02756	0.3
84.08147	0.6
87.04463	0.6
91.05486	1.3
93.07043	2.4
95.04948	0.5
98.97581	0.5
101.79367	0.3
103.05451	1.2
104.07095	0.7
121.06501	100.0
138.09142	24.8
138.10757	0.4
172.95193	0.4
214.96230	0.6
282.43127	0.3
288.11343	0.4
321.23419	0.4
514.07135	2.0
514.17566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26082	0.2
59.37374	0.3
65.41213	0.3
70.06591	0.4
71.02756	0.3
84.08147	0.6
87.04463	0.6
91.05486	1.3
93.07043	2.4
95.04948	0.5
98.97581	0.5
101.79367	0.3
103.05451	1.2
104.07095	0.7
121.06501	100.0
138.09142	24.8
138.10757	0.4
172.95193	0.4
214.96230	0.6
282.43127	0.3
288.11343	0.4
321.23419	0.4
514.07135	2.0
514.17566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.5
61.02937	4.9
67.05508	10.9
69.07068	2.7
76.75237	2.2
79.05489	6.3
79.45472	2.4
81.07059	16.5
83.08611	4.0
85.02916	13.2
91.03941	3.0
91.05469	10.1
93.07041	27.3
94.07372	3.0
95.04992	2.5
95.08604	19.6
97.02917	5.0
105.07063	17.9
107.08608	20.0
108.08982	2.5
109.10168	12.5
111.08066	5.2
117.06979	3.6
119.08569	23.0
120.08900	3.0
121.06509	4.4
121.10139	15.4
131.08562	10.5
133.10112	30.1
135.11679	14.2
136.12016	2.5
143.08595	3.5
145.10081	19.0
145.24852	2.4
147.11711	29.0
148.11984	5.1
149.09595	3.0
149.13232	5.9
157.10098	11.0
159.11667	20.1
161.13223	21.9
169.10068	3.8
171.11705	14.6
171.99890	2.3
172.11987	3.1
173.13277	11.0
175.14825	3.5
177.12665	3.6
183.11676	11.8
185.13242	10.9
186.49004	2.8
187.14766	21.0
197.13193	19.3
199.14752	10.7
201.16399	5.8
211.14818	6.1
213.16418	10.0
215.14310	3.6
225.16356	5.5
243.21033	10.5
253.19473	69.1
259.20465	4.4
260.20920	12.8
271.20566	100.0
289.21619	86.2
299.20062	13.0
306.09265	2.5
317.21091	96.7
320.09146	3.0
334.10599	2.8
335.22083	39.7
336.12271	6.3
338.13812	9.7
350.52176	2.7
351.25125	14.5
352.25620	41.0
422.25461	3.8
442.26575	4.4
455.14026	3.0
461.99643	2.5
478.28662	4.6
496.29599	5.5
514.17853	4.3
514.30261	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13062	0.8
56.82788	1.0
58.06603	1.1
62.97609	1.1
81.07065	1.9
85.02892	7.7
90.08959	1.2
91.05437	1.1
92.21391	2.3
93.07083	1.3
93.41055	1.1
95.08614	1.8
105.69695	1.1
107.08623	1.5
109.10166	1.7
112.28893	1.2
121.10115	5.0
123.24705	1.2
135.11636	1.3
143.73320	1.1
159.11662	1.4
161.13345	1.3
173.13268	2.2
181.04988	1.7
211.14813	1.8
213.16281	1.4
241.19518	10.3
243.17409	1.2
243.21040	12.5
249.07558	3.0
250.07887	1.6
253.19534	11.0
259.20572	100.0
271.20535	36.8
289.21585	82.1
290.08072	1.9
292.09555	1.9
304.06290	2.5
318.07617	2.8
319.08337	11.1
320.09152	45.1
320.54004	1.4
334.10721	23.8
335.11151	1.9
335.22150	48.7
336.11917	3.0
494.66211	1.4
514.18091	10.6
514.30182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13062	0.8
56.82788	1.0
58.06603	1.1
62.97609	1.1
81.07065	1.9
85.02892	7.7
90.08959	1.2
91.05437	1.1
92.21391	2.3
93.07083	1.3
93.41055	1.1
95.08614	1.8
105.69695	1.1
107.08623	1.5
109.10166	1.7
112.28893	1.2
121.10115	5.0
123.24705	1.2
135.11636	1.3
143.73320	1.1
159.11662	1.4
161.13345	1.3
173.13268	2.2
181.04988	1.7
211.14813	1.8
213.16281	1.4
241.19518	10.3
243.17409	1.2
243.21040	12.5
249.07558	3.0
250.07887	1.6
253.19534	11.0
259.20572	100.0
271.20535	36.8
289.21585	82.1
290.08072	1.9
292.09555	1.9
304.06290	2.5
318.07617	2.8
319.08337	11.1
320.09152	45.1
320.54004	1.4
334.10721	23.8
335.11151	1.9
335.22150	48.7
336.11917	3.0
494.66211	1.4
514.18091	10.6
514.30182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.2
60.70584	9.6
67.05504	70.9
69.03426	20.0
69.07052	10.5
79.05484	76.5
81.03417	49.1
81.07056	100.0
83.08601	14.7
85.02901	37.8
91.05486	45.8
93.07040	76.4
95.08605	50.9
95.69167	10.7
97.02885	11.1
99.04477	9.5
105.07031	40.6
107.08590	55.1
109.02877	41.1
109.10154	39.9
117.07005	20.1
119.08560	57.0
121.10135	61.9
123.11646	12.7
125.09596	11.8
127.03947	11.7
129.07002	11.7
130.13875	10.9
131.08537	22.5
133.10152	34.7
135.08083	11.8
135.11708	45.4
145.10146	34.5
147.11705	40.2
155.77957	10.4
159.11635	18.8
161.09621	11.6
169.10046	9.9
171.11678	10.7
173.13257	13.8
215.18008	10.0
233.18987	10.6
245.19327	10.8
257.19000	11.4
293.19290	10.7
312.19717	9.8
326.06030	8.9
328.76309	9.3
341.21182	17.0
359.22141	47.6
377.23090	83.5
395.24329	21.4
514.33411	11.7
534.51111	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09945	11.7
55.05514	12.0
57.03438	13.4
64.16760	12.6
67.05516	77.2
67.65355	12.1
69.03436	30.2
69.07070	25.4
71.59809	11.6
79.05492	80.0
81.03430	69.9
81.07073	97.5
85.02925	17.4
91.05466	35.0
93.07036	88.0
95.05003	17.6
95.08615	55.1
105.07042	58.6
105.79948	14.7
107.08595	68.5
109.02915	14.9
109.10106	15.0
110.03371	13.1
111.08096	16.4
119.08552	35.3
121.06483	14.1
121.10128	87.2
127.03996	16.9
129.97466	13.1
131.08597	33.6
133.06526	17.3
133.10133	17.2
135.08089	14.4
135.11697	27.0
136.71899	14.3
145.10098	56.8
147.11694	31.0
149.13235	25.5
159.11662	19.6
161.13341	16.2
183.46092	15.8
267.29340	15.9
336.12494	28.4
359.22159	58.1
377.23257	76.8
395.24579	19.5
514.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80754	0.4
55.05517	0.6
57.03439	2.3
58.06610	10.4
59.07380	3.8
60.08171	7.0
67.05502	1.4
68.04733	0.5
75.04490	0.9
79.05504	1.2
81.07063	3.0
85.02927	0.9
87.04484	1.0
91.05479	0.7
93.07015	1.4
95.08615	1.0
100.11250	4.7
105.07028	0.9
107.08575	1.1
110.45625	0.6
121.10149	0.7
123.11568	0.6
129.21468	0.6
129.82021	0.6
131.07117	0.9
144.10223	9.8
152.53737	0.7
162.11261	2.7
184.09435	0.7
210.73080	0.6
214.27315	0.6
218.13832	1.0
236.14923	100.0
237.15320	0.8
319.08243	2.8
320.09122	3.0
321.09851	0.7
333.06247	1.3
334.10690	7.2
335.84940	0.7
336.12296	2.8
434.36563	0.7
478.35236	8.1
496.36349	75.9
514.16431	0.7
514.25055	2.8
514.36890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98287	0.4
57.03431	1.9
58.06606	8.2
59.07372	2.3
59.11818	0.4
60.07911	0.4
60.08168	4.5
67.05508	0.9
68.09296	0.4
69.21880	0.5
69.24582	0.5
73.02900	0.5
75.04481	1.1
79.05486	0.8
81.07051	0.8
85.02913	1.0
87.04465	2.2
91.05453	0.6
93.07076	0.7
95.08601	0.9
103.85041	0.5
107.08584	0.8
123.97150	0.6
131.07037	0.7
133.02975	0.6
144.10156	5.8
159.06523	0.6
162.11252	3.5
183.54305	0.5
236.14909	100.0
267.86807	0.5
290.08102	2.0
304.05917	2.2
318.07596	2.0
319.08374	9.3
320.09235	8.6
334.10703	17.4
336.12308	2.6
384.55896	0.5
478.35284	4.4
496.36288	56.9
514.22699	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24251	0.4
51.43395	0.4
54.23521	0.4
57.03437	0.8
58.06606	12.2
59.02577	0.4
59.07378	2.9
60.08138	4.4
61.28279	0.5
67.05494	2.9
69.07085	0.8
70.85026	0.4
75.04444	1.8
79.05510	1.0
81.07041	1.9
81.52484	0.4
85.02888	0.7
87.04462	1.0
91.05472	0.7
93.07029	3.4
95.08602	2.7
104.96214	0.4
105.07037	0.6
107.08614	0.9
112.66027	0.5
113.05959	0.8
114.15919	0.4
117.06970	0.6
119.08585	0.8
121.10100	0.7
131.06992	0.6
134.66376	0.5
135.11671	0.6
144.10190	9.0
216.59998	0.5
218.13916	0.7
236.14905	100.0
319.08362	2.1
320.09161	9.8
334.10648	4.1
336.12228	0.8
434.36285	0.6
478.35175	5.5
496.36282	72.3
514.22729	3.9
514.37225	0.7
521.35406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08208	0.7
57.03444	1.5
58.06598	8.7
59.07385	2.5
60.08164	4.1
67.05499	1.0
69.07073	2.7
75.04475	1.2
79.05540	0.7
81.07068	1.1
83.08602	0.7
85.10853	0.7
87.04476	1.4
90.25410	0.7
95.08591	1.0
97.10095	0.9
131.07048	1.6
139.65732	0.7
144.10181	5.9
154.12381	0.9
162.11258	3.5
189.82089	0.7
218.13820	1.0
236.14917	100.0
241.78757	0.8
245.40016	0.8
269.17505	1.4
496.39935	6.0
514.41028	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29649	2.5
55.05517	20.8
57.07081	34.7
60.42893	2.0
62.27010	2.1
63.89220	1.9
67.05502	33.2
69.07069	61.4
71.08637	22.2
79.05489	10.5
81.06611	4.4
81.07060	80.6
83.04964	4.1
83.08617	54.8
85.10187	5.2
86.06089	4.3
93.07072	17.9
95.08609	67.1
97.06518	11.2
97.10165	43.3
99.08129	3.2
100.07626	2.9
101.05932	2.5
105.07031	12.4
107.08607	23.1
109.10159	39.8
111.11703	11.9
114.09178	5.7
119.08568	11.9
121.10146	16.4
123.11702	23.3
125.09614	5.8
133.10115	17.7
135.11693	12.8
137.09586	5.7
137.13254	5.3
141.12773	10.3
147.11717	18.3
149.13219	5.8
150.17160	2.5
151.11130	3.7
151.14890	3.1
153.12770	2.9
154.12248	10.2
155.14331	4.0
156.13850	4.1
161.13237	14.9
163.14877	4.2
165.16306	3.4
171.15044	3.7
175.14835	5.8
189.16405	3.7
245.22699	19.7
263.23590	19.0
273.26025	2.7
280.26300	43.1
291.26810	11.3
298.27374	60.7
299.25775	10.0
308.29449	25.0
326.30521	21.5
327.28787	2.7
435.03873	2.6
496.32788	4.0
496.39920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65060	0.5
92.58368	0.6
115.89770	0.5
162.68451	0.6
249.33823	0.6
292.09644	11.6
304.09778	2.2
306.07574	4.4
320.09128	14.9
321.06073	1.0
321.09937	31.0
336.12292	100.0
337.12540	0.8
358.75415	0.7
377.11151	2.3
515.18121	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98774	0.6
64.96364	0.7
76.54243	0.6
94.61223	0.7
95.39825	0.8
105.24548	0.7
107.01917	0.6
121.06501	1.3
123.16091	0.8
135.24747	0.8
137.01471	0.6
140.10677	0.9
145.02824	3.1
151.77029	0.7
157.13446	0.8
177.05479	6.6
268.09586	0.9
292.09662	12.5
293.09845	0.8
304.09796	1.3
306.07645	3.6
307.08057	0.8
318.07593	1.0
319.08151	3.1
320.09082	29.7
321.09811	47.7
322.10236	1.3
334.10651	4.5
335.11115	6.2
336.12289	100.0
337.12729	7.9
353.08411	1.1
377.11282	8.3
515.18823	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55732	0.2
51.53650	0.2
59.51204	0.2
199.54805	0.3
218.38547	0.3
219.80080	0.3
267.45718	0.3
275.09564	0.4
278.08078	0.3
292.09671	12.1
304.09708	1.7
306.07617	3.3
319.08270	0.3
320.09192	13.9
321.04376	0.4
321.06082	0.6
321.09967	30.7
336.12299	100.0
337.12445	0.5
356.14127	0.4
515.18292	8.6
515.26294	0.6
527.99799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28996	1.0
55.05527	1.6
56.05043	5.4
58.44286	1.0
59.14544	1.0
62.08443	1.0
72.35841	1.1
81.03428	4.7
82.06589	25.8
83.04993	15.1
84.08147	100.0
85.02922	5.3
86.09743	4.5
91.05492	2.7
95.04963	13.2
96.04509	1.3
96.08126	1.5
97.02933	2.3
99.04492	2.1
101.05999	1.4
108.97014	1.3
109.02897	6.6
110.06046	91.6
111.04456	4.4
111.95473	1.3
119.04925	14.1
121.06536	1.3
125.05993	2.8
127.03922	2.9
128.07085	38.0
130.08643	22.5
140.07071	1.4
147.04408	20.4
147.11334	7.0
148.07600	2.2
150.09135	1.8
175.03894	85.2
176.10736	4.5
182.04497	14.1
192.10316	1.6
194.11826	6.1
207.06523	97.7
210.11217	2.0
212.55991	1.5
225.07434	1.6
225.12392	7.0
226.79654	1.1
238.10703	1.6
238.28400	1.2
255.13518	2.8
266.59216	1.2
273.14435	1.5
308.13962	1.1
316.24838	1.1
317.10345	1.6
344.09915	5.5
435.21176	1.6
461.19064	8.3
479.20239	37.1
497.21390	27.6
515.22437	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28996	1.0
55.05527	1.6
56.05043	5.4
58.44286	1.0
59.14544	1.0
62.08443	1.0
72.35841	1.1
81.03428	4.7
82.06589	25.8
83.04993	15.1
84.08147	100.0
85.02922	5.3
86.09743	4.5
91.05492	2.7
95.04963	13.2
96.04509	1.3
96.08126	1.5
97.02933	2.3
99.04492	2.1
101.05999	1.4
108.97014	1.3
109.02897	6.6
110.06046	91.6
111.04456	4.4
111.95473	1.3
119.04925	14.1
121.06536	1.3
125.05993	2.8
127.03922	2.9
128.07085	38.0
130.08643	22.5
140.07071	1.4
147.04408	20.4
147.11334	7.0
148.07600	2.2
150.09135	1.8
175.03894	85.2
176.10736	4.5
182.04497	14.1
192.10316	1.6
194.11826	6.1
207.06523	97.7
210.11217	2.0
212.55991	1.5
225.07434	1.6
225.12392	7.0
226.79654	1.1
238.10703	1.6
238.28400	1.2
255.13518	2.8
266.59216	1.2
273.14435	1.5
308.13962	1.1
316.24838	1.1
317.10345	1.6
344.09915	5.5
435.21176	1.6
461.19064	8.3
479.20239	37.1
497.21390	27.6
515.22437	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05560	1.7
56.52531	1.7
60.51675	1.5
61.10100	1.4
86.34872	2.1
88.07613	2.2
114.60378	1.7
121.10144	2.8
129.32948	1.8
270.20493	2.5
284.29407	18.5
324.69754	2.2
515.31946	100.0
515.43915	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53272	2.4
55.05510	13.1
57.03446	3.5
57.17172	2.6
67.05511	78.8
67.92246	2.6
69.03438	3.7
69.07069	12.2
71.37740	2.9
79.05488	35.5
81.07065	100.0
83.08629	15.8
91.05470	17.2
91.79545	2.8
93.07044	51.0
95.08609	81.1
97.10143	5.0
99.08123	3.4
105.07024	15.0
107.08603	47.2
109.10159	44.7
117.06989	4.7
119.08575	29.2
121.10141	36.7
123.11665	6.0
131.08559	25.3
133.10129	23.4
135.11699	31.4
137.13263	12.9
145.10164	25.7
147.11693	16.2
149.13235	23.9
159.11720	13.8
161.13251	12.2
163.14786	7.2
172.89510	3.2
173.13307	15.3
175.14780	4.2
177.12810	3.8
178.48531	3.3
187.14891	11.1
194.37085	3.9
243.21204	24.7
256.26501	4.0
261.22098	65.5
279.23154	4.7
335.25812	21.6
353.26926	44.1
447.89026	3.2
461.28412	3.7
497.31165	14.2
515.37555	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.0
55.16634	1.6
57.03437	9.0
57.07068	4.2
60.30314	1.7
61.02922	2.8
67.05508	82.0
69.07069	15.1
71.08617	1.9
73.02912	2.2
79.05489	43.3
80.51509	1.6
81.07057	100.0
83.04977	2.6
83.08617	11.8
85.02887	2.9
85.06537	4.3
91.05473	18.9
91.81062	1.7
93.07041	61.1
95.04982	3.6
95.07994	3.4
95.08601	91.2
97.06516	3.4
97.10180	3.7
99.08076	2.1
105.07013	21.5
107.08588	50.1
109.10152	46.9
117.06998	12.0
119.08569	21.4
121.10128	53.4
123.08031	3.2
123.11673	20.7
131.08566	23.7
133.10112	21.0
135.11693	39.7
137.09636	2.3
137.13239	3.3
139.11209	3.2
145.10107	17.6
147.11670	20.5
149.13245	28.7
156.03610	8.8
159.11696	13.7
159.21732	1.9
161.13251	15.4
163.14815	19.2
173.13216	23.3
175.14821	7.6
177.16449	2.9
187.14809	12.4
201.16350	3.4
236.14816	2.9
243.21117	25.9
261.22116	84.5
279.23264	3.4
335.25735	29.3
353.26877	41.6
358.16440	9.0
358.66437	2.2
497.30713	17.9
515.38324	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02713	8.5
55.05546	8.9
57.07067	7.5
61.35986	8.8
67.05508	64.7
69.07064	18.0
70.14413	9.3
74.04166	8.5
79.05497	22.9
81.07052	100.0
83.08643	14.0
91.05450	14.4
93.07034	51.0
95.08057	9.5
95.08611	92.0
99.08104	10.2
105.07057	23.1
106.73431	9.5
107.08605	54.4
109.10159	24.6
121.10142	62.6
123.11702	11.0
131.08583	13.5
133.10153	17.4
135.11700	42.3
147.11707	19.2
149.13242	12.6
159.11726	12.4
173.13264	14.3
174.43173	10.3
183.16397	12.0
184.13322	52.6
195.24834	9.9
196.01591	9.6
261.22095	44.0
279.23080	12.1
296.25867	45.1
314.27182	11.6
353.26804	50.6
369.24066	13.3
497.31006	63.7
497.39346	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93515	3.6
55.05523	9.9
55.12077	4.3
57.07063	9.2
58.41924	3.2
64.64074	3.6
67.05508	78.6
68.25383	4.1
69.03416	4.3
69.07059	22.0
71.04976	6.5
74.77697	4.2
77.37347	4.4
79.05511	40.5
81.03430	4.0
81.07059	100.0
83.04979	4.4
83.08607	10.0
91.05465	30.9
93.07047	77.3
95.04990	4.7
95.08604	94.3
97.10194	4.3
105.07030	22.3
107.08598	64.8
109.06529	7.4
109.10159	37.4
109.32171	4.3
117.06992	17.1
119.08582	19.2
121.06461	6.3
121.10129	62.6
123.11709	21.7
131.08568	22.7
133.10104	19.7
135.08066	5.4
135.11688	43.4
137.13203	5.4
139.64696	4.0
145.10127	28.1
147.11699	23.2
149.13272	25.9
159.11676	22.8
161.13261	6.3
163.14757	9.3
173.13271	17.4
175.14774	4.3
177.16310	4.1
187.14851	18.5
197.47330	4.5
242.24701	7.6
243.21086	31.0
261.22104	84.1
290.26874	9.3
335.25958	18.2
336.12177	6.3
337.12576	5.2
353.26749	39.2
392.77243	4.7
446.25027	4.4
497.30838	10.0
515.39386	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90500	4.7
55.05523	12.9
59.37605	4.0
61.22573	4.5
67.05513	93.5
69.07069	23.1
69.91633	4.6
78.87182	5.7
79.05495	45.1
81.07070	100.0
83.08613	9.0
91.05473	28.7
92.20943	10.3
93.07053	76.8
95.08615	88.4
105.07049	27.5
107.08598	66.4
109.10151	62.9
117.07036	12.2
119.08557	23.4
121.10136	47.8
123.11719	20.4
126.48837	5.3
131.08578	33.2
133.10155	28.3
135.08076	5.6
135.11694	48.3
135.12552	5.7
145.10138	31.9
147.11725	18.8
149.13263	35.1
159.11674	12.4
161.13232	11.5
163.14868	9.3
173.13254	27.4
173.79362	5.7
201.16425	5.9
243.21117	32.6
261.22055	96.5
261.97214	5.8
335.25894	12.7
353.26819	56.2
497.30716	7.9
505.95294	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57875	2.6
55.01869	3.0
55.05515	13.2
57.03454	6.3
57.07084	7.6
58.79367	2.6
61.02918	6.6
67.05512	84.4
69.03414	4.7
69.07063	25.6
79.05487	44.4
81.03420	13.9
81.07060	87.9
81.38044	3.5
83.04949	5.5
83.08628	14.8
85.02898	16.5
85.06528	7.9
86.17552	3.1
91.05471	25.2
91.92732	3.5
93.07036	81.4
95.04942	4.3
95.08605	100.0
96.11879	3.3
97.02901	7.0
97.06527	6.4
97.10141	3.6
103.03945	4.6
105.07043	33.7
107.08588	71.3
109.06496	3.3
109.10158	39.4
111.08022	3.7
113.09568	5.7
117.06987	17.0
117.38069	3.7
119.08570	32.6
121.06496	4.2
121.10133	58.5
123.11688	17.2
129.07004	7.8
131.08600	29.2
133.09215	3.5
133.10109	35.2
135.08020	4.4
135.11694	43.0
137.09663	4.4
137.13271	6.6
143.08551	5.7
145.10129	34.1
147.11671	19.6
149.09647	6.3
149.13248	34.8
157.10123	8.5
159.08086	5.2
159.11714	29.8
161.13260	26.7
163.11273	4.1
163.14796	20.4
166.27954	4.0
169.10101	4.9
169.48906	4.9
171.08023	3.6
171.11627	6.5
173.13309	24.5
175.14783	4.9
177.16447	5.7
183.11757	4.5
185.13301	7.0
187.14816	14.9
191.14342	5.9
197.13271	3.7
199.14987	4.8
201.16507	5.1
233.22829	4.5
242.19884	3.6
243.21036	25.6
261.22101	79.7
275.23456	3.8
320.09131	3.9
335.25955	7.2
353.26758	76.2
365.26761	6.1
367.28308	3.7
367.85229	4.0
369.24274	8.1
377.27167	5.2
387.24969	4.7
389.26651	6.7
405.26422	5.9
409.21255	3.8
419.28012	6.6
431.28006	5.0
443.27902	27.6
461.29105	32.4
479.30026	20.8
497.30981	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.5
57.07090	12.0
67.05512	75.1
69.07066	25.9
73.02935	6.4
79.05502	46.1
81.07065	100.0
82.97283	5.6
85.02880	8.6
91.05468	33.3
93.07047	81.6
95.08612	77.6
101.13667	4.6
105.07041	28.6
107.08600	47.9
109.10158	46.3
117.07005	26.2
118.63848	4.8
119.08569	28.1
121.10168	63.8
123.11684	22.5
129.07054	7.4
131.08580	36.7
133.10130	30.5
135.11681	36.6
145.10130	26.6
147.11682	11.6
149.13257	26.5
157.10117	7.6
159.11731	24.0
161.13214	12.1
163.14799	8.9
173.13257	28.5
175.14807	11.7
233.96837	5.1
243.21114	26.1
256.26282	11.6
261.22107	74.1
274.27454	7.7
296.25677	7.1
320.09409	7.1
321.09830	7.2
336.12320	22.2
337.12592	9.3
353.26761	39.3
369.24197	9.0
419.26938	6.1
426.50333	5.9
443.28055	8.7
461.29141	10.2
479.30011	7.5
497.31235	47.0
497.37671	7.1
515.24249	9.5
515.37018	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24919	4.7
55.05519	10.8
57.07074	9.4
59.96790	4.4
61.02926	8.8
65.92416	5.5
67.05510	54.7
69.07057	27.2
70.62353	5.4
78.11936	6.0
79.05495	48.1
81.03407	9.7
81.07056	95.3
83.08679	5.4
85.02888	5.9
91.05483	24.9
92.20904	6.7
93.07043	83.6
95.04967	6.3
95.08624	63.2
97.10181	7.0
99.08085	10.3
105.07024	30.1
107.08584	64.9
109.10175	46.6
110.32117	5.3
117.07014	11.2
119.08560	13.6
121.10134	63.9
123.11668	8.4
131.08560	35.7
133.10120	32.2
135.11684	35.9
143.08524	9.7
145.10126	32.3
147.08089	7.7
147.11670	12.7
148.47710	5.2
149.13281	32.9
156.59985	6.4
159.11682	26.2
161.13239	13.4
163.14874	6.7
173.13263	27.6
177.16338	7.9
187.14807	8.5
192.41475	5.6
243.20993	26.9
261.22137	91.3
320.09183	8.2
335.26114	7.5
346.90445	6.8
353.26868	64.0
365.27115	8.3
387.24945	8.0
431.27704	8.9
443.27985	40.9
461.29102	11.1
479.29797	9.4
497.31021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	4.4
66.14619	0.5
69.07070	1.4
70.06597	14.8
72.08193	0.7
84.08187	0.6
84.66703	0.6
86.09708	67.8
86.60258	0.6
87.05576	4.8
88.03969	3.1
112.08708	4.9
113.07151	1.6
115.08672	3.9
116.07084	5.4
127.52528	0.7
130.09764	1.2
157.07216	6.6
158.09235	7.3
175.11893	17.1
183.11247	0.8
195.07597	0.9
196.07231	2.8
199.18076	12.4
212.10382	1.2
213.08734	3.1
227.17523	3.1
228.13470	1.5
238.08214	6.8
255.10919	5.5
272.13556	9.0
368.19202	1.0
483.16028	0.8
492.60382	0.9
515.19305	3.9
515.32977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	4.4
66.14619	0.5
69.07070	1.4
70.06597	14.8
72.08193	0.7
84.08187	0.6
84.66703	0.6
86.09708	67.8
86.60258	0.6
87.05576	4.8
88.03969	3.1
112.08708	4.9
113.07151	1.6
115.08672	3.9
116.07084	5.4
127.52528	0.7
130.09764	1.2
157.07216	6.6
158.09235	7.3
175.11893	17.1
183.11247	0.8
195.07597	0.9
196.07231	2.8
199.18076	12.4
212.10382	1.2
213.08734	3.1
227.17523	3.1
228.13470	1.5
238.08214	6.8
255.10919	5.5
272.13556	9.0
368.19202	1.0
483.16028	0.8
492.60382	0.9
515.19305	3.9
515.32977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81796	1.2
54.20393	1.1
55.01878	1.9
55.05525	7.4
56.11781	1.1
57.03458	1.9
57.07083	1.5
57.09675	1.3
60.09550	1.2
63.98474	1.3
65.55466	1.3
67.05518	24.1
69.07076	7.2
71.05020	1.4
71.08630	1.5
79.05500	12.1
81.07080	25.9
83.08639	6.5
83.18902	1.2
83.88575	1.3
85.06564	1.5
87.15509	1.2
90.03864	1.3
91.05496	7.6
93.07042	17.3
95.08611	17.9
97.02966	1.5
97.10179	6.4
105.07046	16.6
107.08606	15.1
109.10179	9.8
117.07046	7.7
119.08611	17.9
121.10141	12.9
123.11761	2.9
129.07047	2.7
131.08611	12.8
133.10136	10.5
135.08109	5.2
135.11737	7.2
139.11191	1.6
143.08601	5.8
145.10144	16.0
147.11652	10.3
149.13277	2.3
155.08565	2.2
157.10107	3.0
159.11681	10.8
161.13242	2.7
163.11176	2.6
169.10138	2.6
171.11740	7.7
173.09740	1.4
173.13312	9.4
176.40277	1.9
183.11823	3.5
185.13223	3.3
187.14828	2.6
197.13339	5.5
199.14822	4.4
211.14934	1.6
213.16432	1.8
215.17970	1.5
218.98050	1.6
228.55276	1.6
261.22247	2.4
285.22281	1.9
423.33051	5.7
426.99854	1.6
441.33542	1.8
459.49139	1.4
497.35992	2.3
515.37433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76186	2.7
53.99821	2.7
55.05529	4.4
57.03461	2.9
57.07082	14.9
67.05505	26.8
69.07060	13.9
70.06609	5.8
75.75314	3.9
81.07060	41.7
83.08634	14.8
88.07635	25.8
91.05487	7.2
93.07059	20.9
95.08589	30.8
97.10174	6.8
102.09186	14.5
107.08614	22.3
109.10167	21.8
109.74806	3.5
113.09589	3.9
119.08585	4.9
121.10161	25.2
123.11678	5.5
133.10107	4.7
135.11751	5.8
138.12747	4.6
138.50464	3.9
139.11205	5.9
140.10678	3.4
145.10062	4.1
147.11780	4.2
149.09668	6.5
149.13269	5.7
155.10666	5.1
172.13329	7.6
173.11755	5.8
173.13235	5.1
184.13347	37.8
202.14377	3.7
228.29440	3.8
236.14946	16.1
237.15195	4.4
256.26361	82.5
261.22067	7.7
274.27429	25.1
279.23218	8.9
296.25806	26.2
303.67508	3.7
330.77362	3.8
353.26773	5.9
497.39822	41.4
515.33472	4.9
515.40668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20543	1.3
55.05515	2.4
57.07108	1.3
58.21233	1.3
67.05508	2.3
69.07085	2.8
81.07056	8.7
83.08625	8.1
85.06490	1.6
88.07631	1.8
93.07039	2.7
95.08604	7.8
97.06524	1.7
97.10177	5.9
98.53711	1.4
99.56387	1.5
107.08592	3.5
109.43478	1.5
111.08076	1.6
121.10144	7.7
124.11220	1.8
131.28467	1.5
141.01221	1.5
163.14825	14.5
165.25089	1.6
170.26340	1.7
180.17508	21.9
181.15836	2.9
190.45090	1.5
198.18529	1.7
204.45682	1.3
226.18025	24.6
242.24980	1.7
252.19574	32.6
253.18091	2.9
270.20630	72.0
290.31573	1.5
328.32062	2.3
440.47610	1.6
451.41644	1.5
515.31812	3.0
515.37775	5.6
515.44232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59732	1.2
67.05521	1.4
81.07074	2.0
95.08590	2.3
107.08575	1.7
145.46936	1.4
184.90375	1.6
189.78044	1.7
236.14845	1.6
306.07651	19.2
320.09195	6.6
334.06989	12.7
334.10687	2.2
336.12082	2.9
349.09360	6.4
350.06580	2.9
366.50134	2.1
396.08344	1.7
410.10425	3.3
411.11374	2.8
412.08383	5.5
424.08405	3.7
427.10318	6.5
429.08286	2.9
430.09064	3.0
439.10678	11.4
440.07559	6.2
442.09061	12.5
443.10089	3.5
444.10736	16.8
456.10779	2.3
457.11868	24.1
458.08652	27.3
468.07181	10.1
472.10251	71.6
473.11081	3.1
483.09415	3.6
486.08469	6.7
487.12781	10.4
488.13394	69.6
516.12848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59732	1.2
67.05521	1.4
81.07074	2.0
95.08590	2.3
107.08575	1.7
145.46936	1.4
184.90375	1.6
189.78044	1.7
236.14845	1.6
306.07651	19.2
320.09195	6.6
334.06989	12.7
334.10687	2.2
336.12082	2.9
349.09360	6.4
350.06580	2.9
366.50134	2.1
396.08344	1.7
410.10425	3.3
411.11374	2.8
412.08383	5.5
424.08405	3.7
427.10318	6.5
429.08286	2.9
430.09064	3.0
439.10678	11.4
440.07559	6.2
442.09061	12.5
443.10089	3.5
444.10736	16.8
456.10779	2.3
457.11868	24.1
458.08652	27.3
468.07181	10.1
472.10251	71.6
473.11081	3.1
483.09415	3.6
486.08469	6.7
487.12781	10.4
488.13394	69.6
516.12848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14239	0.2
51.39799	0.2
54.76287	0.2
58.34304	0.2
81.92569	0.2
143.91805	0.2
182.16412	0.2
206.55276	0.2
273.07748	0.3
276.06323	0.8
290.08093	13.2
292.09708	1.8
302.08163	3.7
304.06052	13.1
304.09509	0.5
306.07483	0.4
308.12769	0.3
318.03830	0.5
318.07602	18.8
319.08386	63.3
320.09149	6.9
321.09998	3.3
322.10709	1.1
334.10730	100.0
335.11304	0.3
336.12283	31.5
428.56967	0.4
442.12640	0.3
516.13922	39.7
520.93176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14239	0.2
51.39799	0.2
54.76287	0.2
58.34304	0.2
81.92569	0.2
143.91805	0.2
182.16412	0.2
206.55276	0.2
273.07748	0.3
276.06323	0.8
290.08093	13.2
292.09708	1.8
302.08163	3.7
304.06052	13.1
304.09509	0.5
306.07483	0.4
308.12769	0.3
318.03830	0.5
318.07602	18.8
319.08386	63.3
320.09149	6.9
321.09998	3.3
322.10709	1.1
334.10730	100.0
335.11304	0.3
336.12283	31.5
428.56967	0.4
442.12640	0.3
516.13922	39.7
520.93176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98984	0.3
57.81210	0.2
131.55484	0.3
144.79770	0.3
148.98808	0.3
269.73584	0.3
276.06335	0.4
290.08081	13.0
292.09668	3.3
302.08051	4.2
303.08875	0.3
304.06033	14.1
304.09381	0.8
306.07623	2.1
316.06039	0.3
318.03851	0.4
318.07584	17.8
319.08368	67.2
320.09100	6.6
321.09930	10.0
322.10773	1.3
324.04956	1.5
334.10706	100.0
336.12268	38.5
336.16394	0.6
339.07346	3.8
354.09579	3.4
516.13910	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79938	0.5
69.03432	0.9
82.53821	0.6
85.02909	4.6
85.88551	0.5
129.40321	0.5
137.22333	0.6
149.06013	0.8
151.03873	0.6
176.07002	2.1
189.07828	4.6
251.07045	2.7
264.65872	0.6
268.09784	1.1
278.08188	5.4
279.06503	3.3
280.09702	2.5
281.08246	0.8
292.09619	0.6
296.09003	1.2
298.10718	1.0
306.07513	4.4
307.08249	0.7
308.09268	4.9
309.07681	0.9
320.09061	4.2
321.09830	3.3
322.10547	3.7
325.09476	3.3
326.10214	100.0
334.10651	2.7
336.08606	20.7
336.12344	9.4
337.12900	1.2
338.10217	0.9
354.09714	64.1
372.71457	0.6
470.15982	1.2
472.17511	1.2
484.17517	1.4
486.15244	3.7
488.15430	0.9
500.16815	4.3
501.17700	2.6
516.14178	5.6
516.19879	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
81.50423	0.3
87.48370	0.3
97.01540	0.4
128.19467	0.4
189.24742	0.4
241.22229	0.4
249.07852	0.6
250.08623	1.6
264.06622	0.6
265.07254	1.9
266.08292	0.5
278.04514	2.4
278.08115	3.7
279.08972	3.7
280.06094	1.9
280.09665	3.0
293.03821	0.6
293.06824	10.2
294.07605	5.1
295.08365	8.6
306.03976	10.1
307.08459	1.8
309.09943	3.4
310.10800	3.8
321.06308	36.6
323.07938	4.4
324.05029	2.4
336.08655	51.2
339.07343	1.9
354.09711	100.0
516.15027	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65305	0.5
57.47624	0.6
58.58299	0.6
60.64071	0.6
71.66824	0.6
86.09654	0.6
86.39972	0.6
104.29216	0.6
175.03885	0.8
290.08142	0.8
293.06808	95.8
307.07825	0.7
308.09158	77.0
318.07562	1.0
319.08398	3.8
320.09021	4.3
321.06311	25.7
322.10297	1.1
334.10703	5.9
336.08655	73.7
339.07324	8.4
354.09708	100.0
516.15039	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87338	0.2
55.53549	0.2
57.89217	0.3
63.96203	0.3
67.33638	0.3
70.06580	0.5
72.08187	0.3
83.04948	0.4
84.08105	0.4
86.09695	0.7
110.60905	0.3
137.05911	0.4
176.07100	0.6
177.05435	3.0
202.26740	0.3
278.08090	2.0
294.07571	4.5
308.09152	1.5
342.09726	0.4
351.69543	0.3
354.09680	100.0
396.10825	2.9
498.19510	0.6
516.14868	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	1.1
53.38220	1.2
56.54448	1.1
58.06606	3.1
62.28092	1.3
67.11472	1.3
68.94884	1.3
78.49910	1.4
82.01936	1.4
84.36895	1.6
85.02911	6.2
85.32541	1.3
106.52731	1.3
126.44514	1.3
127.03925	1.4
161.55995	1.7
167.29097	1.3
176.07120	18.6
202.26698	1.4
273.22183	3.4
278.08121	56.2
292.09714	1.7
304.09552	2.8
306.07608	92.7
307.08380	7.4
308.09415	4.8
308.12848	6.7
318.07382	1.7
319.08466	3.5
319.22598	2.3
320.09158	20.5
321.06204	2.7
321.09872	7.8
322.10739	6.3
326.10123	6.2
334.10675	11.6
335.10968	2.1
336.08566	7.5
336.12256	43.1
337.12961	20.4
339.07361	36.9
352.15424	44.3
354.09686	98.6
468.14362	2.2
472.17542	6.2
484.17731	2.2
486.15427	7.4
500.17072	9.7
501.17413	7.5
502.18872	1.7
516.15796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	1.1
53.38220	1.2
56.54448	1.1
58.06606	3.1
62.28092	1.3
67.11472	1.3
68.94884	1.3
78.49910	1.4
82.01936	1.4
84.36895	1.6
85.02911	6.2
85.32541	1.3
106.52731	1.3
126.44514	1.3
127.03925	1.4
161.55995	1.7
167.29097	1.3
176.07120	18.6
202.26698	1.4
273.22183	3.4
278.08121	56.2
292.09714	1.7
304.09552	2.8
306.07608	92.7
307.08380	7.4
308.09415	4.8
308.12848	6.7
318.07382	1.7
319.08466	3.5
319.22598	2.3
320.09158	20.5
321.06204	2.7
321.09872	7.8
322.10739	6.3
326.10123	6.2
334.10675	11.6
335.10968	2.1
336.08566	7.5
336.12256	43.1
337.12961	20.4
339.07361	36.9
352.15424	44.3
354.09686	98.6
468.14362	2.2
472.17542	6.2
484.17731	2.2
486.15427	7.4
500.17072	9.7
501.17413	7.5
502.18872	1.7
516.15796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30175	0.7
69.03432	0.8
71.99511	0.7
96.15009	1.0
110.09646	0.8
131.94324	0.8
156.08086	0.9
171.27014	0.9
181.68086	0.9
217.48613	0.8
250.08600	1.2
264.06619	1.0
265.07492	0.9
266.08112	1.3
278.04333	1.2
278.08221	4.0
279.08881	4.6
280.06122	1.3
280.09787	3.8
293.06830	12.4
294.07571	3.5
295.08383	8.7
306.03934	10.0
307.08383	1.2
309.09839	4.3
310.10629	4.6
321.06290	37.8
323.07971	5.7
324.05032	1.9
336.08661	57.6
339.07193	1.3
354.09698	100.0
499.46863	1.1
516.14752	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12089	0.6
66.48051	0.8
75.09737	0.6
79.12549	0.6
81.14977	0.7
84.08125	0.8
85.02879	0.9
87.96224	0.7
99.04453	1.7
100.61443	0.8
135.04398	0.7
143.32724	0.7
164.07065	0.8
170.65735	1.0
214.85959	0.7
263.76859	0.8
281.06851	0.9
282.07590	3.7
297.09937	0.9
298.10718	2.5
310.07101	3.1
311.07816	8.8
325.09262	2.8
326.10233	86.5
327.21078	0.9
354.09708	100.0
445.41745	0.8
472.00772	0.8
516.14801	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87338	0.2
55.53549	0.2
57.89217	0.3
63.96203	0.3
67.33638	0.3
70.06580	0.5
72.08187	0.3
83.04948	0.4
84.08105	0.4
86.09695	0.7
110.60905	0.3
137.05911	0.4
176.07100	0.6
177.05435	3.0
202.26740	0.3
278.08090	2.0
294.07571	4.5
308.09152	1.5
342.09726	0.4
351.69543	0.3
354.09680	100.0
396.10825	2.9
498.19510	0.6
516.14868	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1651
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
63.05599	1.0
86.02342	0.8
89.28524	0.9
101.16323	0.8
103.85774	1.0
119.65445	1.0
121.02856	4.2
167.07031	2.1
168.07808	1.4
181.04956	1.6
194.62317	0.9
278.08215	7.0
291.08896	2.0
306.07571	16.4
307.08420	2.2
320.09155	16.0
321.09851	1.9
322.10309	1.1
323.07846	3.8
333.06384	9.7
334.07129	5.8
336.12274	8.1
346.07150	1.6
348.08603	1.7
353.08792	1.1
368.11258	5.4
376.71237	0.9
456.14636	1.1
458.12265	11.0
472.13763	7.3
484.13818	1.3
486.11688	26.6
500.13382	12.2
501.14130	3.8
516.16473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28351	1.0
57.96313	1.1
58.06610	2.9
66.02376	1.1
66.67899	1.0
83.50286	1.0
84.22383	1.1
121.06567	1.6
278.08127	61.5
278.30353	1.4
292.09814	5.1
293.09998	1.9
304.06329	1.5
304.09616	1.9
306.07617	100.0
307.08347	5.0
308.09058	1.8
319.08521	6.3
319.22623	2.4
320.09100	8.8
321.09753	17.5
322.10379	10.5
323.11563	1.8
334.10800	5.1
336.12314	32.3
337.12625	37.0
454.09113	2.3
463.67578	1.3
486.15988	1.7
500.17325	2.0
516.16675	78.7
527.44269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91771	0.2
55.82976	0.2
57.36786	0.2
58.54946	0.2
63.41201	0.2
66.87246	0.2
76.36620	0.2
92.21503	0.2
96.90281	0.2
101.73547	0.2
105.05881	0.3
144.67584	0.2
159.53625	0.3
191.53448	0.2
202.10602	0.3
266.37381	0.3
267.72964	0.3
279.08954	2.1
292.09634	2.9
294.11386	1.7
307.08386	16.7
307.86395	0.3
315.34711	0.3
318.07806	0.5
320.09183	69.3
322.10736	100.0
326.10284	0.5
354.09790	4.2
407.11722	0.3
516.16559	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1647
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
53.80791	0.4
112.54742	0.5
117.54721	0.5
214.12186	0.5
250.08687	0.5
278.08112	45.8
279.08926	1.0
291.09015	0.7
292.09634	1.2
294.11139	1.0
306.07654	5.6
307.08368	21.8
308.09277	1.0
320.09219	5.6
322.10724	100.0
336.12210	8.6
354.09802	0.6
482.12424	0.6
486.15442	0.6
498.15762	2.4
516.16583	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63494	0.8
77.14652	0.8
109.70055	0.9
113.80044	0.8
161.05899	1.2
167.07031	4.7
181.05029	1.8
191.21826	0.9
216.46339	1.0
257.22461	1.0
278.08215	3.7
291.08813	5.9
292.09650	1.1
306.07571	12.1
307.08167	1.2
318.07587	3.2
319.08368	2.0
320.09244	14.9
321.09818	3.6
323.07999	3.5
333.06351	9.5
334.07056	6.8
336.08792	1.4
336.12164	7.4
348.08475	1.1
424.11761	1.2
458.12207	12.4
470.12137	1.2
472.13870	8.0
484.13727	3.9
486.11658	29.0
500.13086	12.8
501.13858	1.5
516.16522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1651
Annotation	(+)-Neoacrimarine-G
Peak:m/z	Relative Intensity
55.86143	1.4
57.24390	1.4
76.58303	1.4
124.33300	1.6
133.90508	1.3
154.94208	1.5
171.51176	1.6
321.80734	1.8
328.85464	1.6
352.85501	1.8
357.06067	3.0
357.65018	1.4
367.10791	1.4
371.07809	1.8
384.77988	1.5
385.05502	10.8
396.08456	2.0
398.06354	2.1
400.08099	9.8
402.05676	1.8
416.07645	2.4
424.07755	2.7
426.09601	2.7
428.07675	16.1
438.13776	1.8
440.07516	34.0
450.09650	2.3
454.09070	7.4
466.13013	6.4
468.10742	2.5
470.15732	3.5
475.21405	3.5
480.14725	3.0
498.15460	100.0
516.16534	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1656
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
51.14063	0.3
68.49235	0.4
83.78222	0.4
91.27110	0.4
98.34440	0.4
104.10729	0.4
153.99165	0.5
166.72369	0.5
176.06952	0.6
225.24377	0.5
278.08121	73.6
292.09662	0.5
304.09729	2.0
306.07599	100.0
307.08347	4.0
307.11542	0.4
308.09058	1.9
319.08417	1.0
320.09137	5.2
321.06354	0.6
334.10629	1.7
336.08643	0.8
336.12320	2.7
339.07391	10.8
354.09717	30.7
396.03418	0.5
442.63483	0.5
470.16434	0.7
472.17691	2.3
484.17297	0.6
486.08731	0.5
486.15652	2.5
498.15463	0.7
500.09558	1.8
500.17188	3.3
500.73953	0.5
516.16345	77.8
539.61859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31310	0.1
67.44342	0.1
77.63744	0.1
128.28766	0.2
146.86229	0.2
149.11443	0.2
163.39618	0.2
255.20995	0.2
268.73428	0.2
273.22049	0.3
278.08017	0.7
279.08899	1.9
280.99475	0.2
290.08075	0.2
294.11200	1.9
307.08362	16.2
319.08344	1.4
319.22656	0.2
320.09149	0.4
322.10709	100.0
324.08813	0.3
334.10574	2.5
336.12286	0.9
339.10965	2.0
354.13354	1.0
486.79883	0.2
516.16644	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92393	0.5
61.40917	0.5
88.29971	0.5
91.96437	0.5
127.77579	0.5
149.21948	0.6
165.28854	0.6
278.08109	55.9
292.09512	2.9
304.09573	0.9
306.07602	89.9
307.08279	2.7
308.09122	0.8
320.09134	18.6
321.09875	6.6
332.77216	0.7
336.12286	100.0
516.16327	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50090	1.2
52.72735	1.3
67.05498	1.5
71.29876	1.2
71.75475	1.3
93.07027	3.4
95.08585	2.2
98.69509	1.4
107.08616	2.2
113.43050	1.2
124.05188	3.2
137.05984	2.7
147.04390	2.5
161.06010	9.8
162.06755	1.8
173.90988	1.4
180.07806	2.1
278.08054	2.3
292.06064	2.8
293.06833	6.3
306.07657	10.1
307.04977	2.0
307.08179	4.6
308.05490	14.4
308.09186	13.4
316.56192	1.5
319.08395	2.7
320.09119	3.4
321.09692	3.0
322.07047	17.3
322.10645	6.9
334.10733	6.6
336.08658	2.5
336.12051	10.2
350.06610	5.6
364.08069	6.9
397.09222	2.0
411.06442	1.6
411.11398	2.3
412.07956	8.7
414.09396	1.9
418.82706	1.8
424.07880	6.0
426.09656	6.0
426.97247	1.7
428.11343	9.9
437.09042	2.9
438.09683	2.5
439.10690	11.3
440.07455	44.2
441.11981	6.8
442.09064	10.4
454.09158	8.8
455.09732	6.7
456.10727	51.2
457.11588	5.8
468.11496	42.3
469.11356	3.2
470.12311	2.2
471.12869	5.7
472.13754	9.5
483.12769	8.9
486.11768	29.4
498.11670	8.1
498.31305	2.0
501.14191	13.3
516.13281	100.0
532.27838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90931	0.2
78.22284	0.2
97.02888	0.4
103.51080	0.2
105.01875	0.3
152.95248	0.3
189.85156	0.2
220.26999	0.3
292.09662	12.8
301.21521	0.3
304.09662	2.2
306.07571	3.9
319.08432	0.5
320.09164	15.5
321.09909	36.4
322.17657	0.3
334.10815	1.8
336.12286	100.0
352.15350	0.4
354.09634	0.5
371.54050	0.3
516.16571	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1664
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
50.59742	0.4
55.43708	0.3
55.88450	0.4
58.06673	0.5
66.51156	0.4
95.74703	0.5
137.06085	0.5
182.91534	0.4
250.22559	0.5
278.08118	0.9
290.08179	0.7
292.09619	12.0
304.06299	0.6
304.09653	1.7
306.07532	8.4
307.08423	0.9
308.09140	0.8
318.07651	1.7
319.08420	4.2
320.05634	1.3
320.09119	23.8
321.09930	32.6
322.10675	3.8
334.07138	3.0
334.10773	5.3
335.07715	10.1
335.11249	2.4
336.12265	100.0
350.10217	22.4
372.12277	0.5
428.11050	3.0
438.09592	0.7
442.12619	1.7
454.12628	2.4
456.10474	1.9
456.26654	0.4
468.10379	2.6
470.12024	0.6
471.12756	1.7
472.13565	2.6
482.12015	2.3
483.12823	1.0
498.15112	2.2
516.16125	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80791	0.4
112.54742	0.5
117.54721	0.5
214.12186	0.5
250.08687	0.5
278.08112	45.8
279.08926	1.0
291.09015	0.7
292.09634	1.2
294.11139	1.0
306.07654	5.6
307.08368	21.8
308.09277	1.0
320.09219	5.6
322.10724	100.0
336.12210	8.6
354.09802	0.6
482.12424	0.6
486.15442	0.6
498.15762	2.4
516.16583	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06568	0.9
68.72582	0.8
77.31158	0.9
78.65022	0.8
99.04426	0.9
108.78914	0.9
139.50186	1.0
149.81468	1.0
278.08093	71.3
292.09656	11.9
304.09641	5.4
306.07587	96.9
307.08286	4.4
308.09106	4.2
318.07629	1.4
319.08160	1.2
320.09149	39.6
321.09921	24.3
322.10419	1.3
334.10587	4.5
336.12268	100.0
338.13452	1.0
455.21973	1.1
472.14108	1.6
516.16235	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1657
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
67.98608	0.6
83.72511	0.6
104.78586	0.5
160.99088	0.5
166.45671	0.5
216.40047	0.6
278.08112	75.8
291.08774	0.6
304.09610	6.6
306.07608	100.0
307.08362	12.4
308.09048	2.8
320.08994	1.8
321.08899	0.8
334.10916	0.9
335.10956	1.3
336.11395	3.3
393.66486	0.7
456.14243	1.1
472.17456	0.8
484.17148	0.9
486.15054	2.0
495.24911	0.7
498.15210	3.4
500.16788	2.2
501.17740	2.0
516.16333	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15348	0.6
68.32402	0.6
71.75071	0.5
89.76044	0.5
97.05090	0.7
103.42396	0.6
128.60533	0.7
157.56902	0.6
167.57256	0.6
216.52965	0.7
266.29233	0.6
278.08102	70.2
292.09906	0.8
304.09561	0.9
306.07590	100.0
307.08340	2.5
308.09097	2.6
320.09140	7.8
321.09906	2.6
336.12256	48.1
373.08554	0.6
403.31866	0.7
422.02600	0.6
500.17728	0.7
516.16461	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23680	0.2
104.44584	0.2
105.93570	0.3
264.34155	0.3
278.08105	72.8
291.08749	1.0
292.09711	1.6
304.09659	8.0
306.07593	100.0
307.08405	13.1
307.11990	0.3
308.09097	1.3
320.09171	2.5
321.09930	1.8
326.10095	0.5
336.12289	12.6
354.09842	0.3
468.10336	0.3
486.15317	1.0
498.15393	2.7
516.16479	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1655
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
54.60801	0.5
63.08541	0.7
66.53702	0.7
78.13463	0.6
78.14021	0.6
92.20886	0.7
132.95656	0.7
278.08124	77.0
292.09503	0.9
304.09720	5.9
306.07602	100.0
307.08401	12.0
320.09262	1.2
321.09943	3.6
336.12268	16.1
339.07333	9.7
354.05499	1.0
354.09796	26.2
381.93311	0.9
419.83044	0.9
468.14594	1.2
472.17615	5.2
483.16263	0.9
484.17633	1.4
486.15109	5.7
498.15112	1.6
500.17368	4.9
501.17953	5.5
516.15686	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87051	0.2
66.04224	0.2
66.70919	0.2
71.93885	0.2
73.86541	0.2
77.31655	0.2
83.64137	0.2
185.97572	0.2
278.08084	1.2
279.08890	2.2
294.11374	1.3
307.08365	15.9
319.07986	0.3
320.09174	1.1
322.10724	100.0
334.10724	1.0
336.12259	1.3
436.22549	0.3
516.16614	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.165
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
64.49945	0.4
66.90293	0.4
85.10098	0.4
100.36543	0.4
108.42732	0.4
108.43595	0.4
130.53867	0.5
197.19397	0.5
204.06577	0.7
231.13858	0.5
250.08655	0.7
263.09445	2.8
264.06934	0.7
278.08105	28.2
279.08969	3.0
280.09702	0.9
290.08170	1.6
291.08984	1.7
292.06177	1.6
292.09775	3.9
293.10580	0.5
294.08096	0.5
294.11176	4.5
305.20255	0.5
306.07635	6.8
307.08438	12.7
307.12125	6.3
308.09296	2.0
309.09930	0.6
313.19980	0.6
319.08374	2.3
320.09140	5.0
321.09842	2.2
322.10706	20.3
323.11481	7.9
324.12289	3.6
334.10733	5.9
335.11072	1.8
336.08594	0.8
336.12268	19.4
354.08005	3.4
386.81482	0.6
414.13318	2.6
428.15042	6.4
440.15436	2.0
442.12769	4.1
454.12912	3.9
455.13898	0.9
456.14337	9.3
456.20126	0.8
457.15344	1.9
458.12198	1.6
466.13144	0.8
468.10782	3.4
470.12128	0.6
472.13712	10.2
482.12366	4.7
483.12671	3.9
484.13855	3.4
486.11710	8.3
486.17514	0.6
498.15317	2.6
500.13394	15.0
501.14069	5.7
516.16553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1662
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
63.64597	0.6
64.76674	0.8
67.44226	0.7
68.18273	0.7
85.82765	0.7
92.20930	1.2
263.09198	0.9
278.08121	58.2
291.08957	1.3
292.09711	9.5
304.09668	18.1
306.07602	71.1
307.08389	17.8
308.09119	1.8
320.09155	15.8
321.09940	20.7
322.09790	1.0
334.10800	0.9
336.12305	100.0
337.12769	1.5
339.07373	4.7
352.15317	3.1
354.09677	16.3
380.11282	1.5
472.17230	3.5
486.15805	5.6
498.15356	5.3
500.16898	4.4
501.17627	4.2
516.15704	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96625	0.8
61.33454	0.9
71.09908	1.0
87.60821	1.2
119.99318	1.0
120.74839	1.0
184.46118	0.9
264.40158	1.1
278.08096	87.6
291.08792	1.4
292.09637	1.9
304.09607	17.7
306.07578	100.0
307.05109	1.5
307.08380	24.1
308.09128	27.3
310.69641	1.3
310.90259	1.0
319.08633	1.9
320.09039	8.5
320.12573	1.7
321.09747	4.4
322.10071	4.9
334.10648	7.1
335.11298	1.5
336.12268	32.4
470.16217	4.7
472.17862	8.5
484.17548	6.3
486.15527	14.6
498.15466	8.8
500.17242	17.7
501.17590	6.8
516.16693	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51429	0.5
67.23162	0.5
73.63975	0.5
100.68006	0.6
135.37445	0.6
268.08655	0.7
278.08105	69.3
291.09006	0.7
292.09702	1.0
304.09775	1.4
306.07584	100.0
307.08386	4.0
308.09070	1.1
319.08264	0.8
320.09052	3.8
321.09869	5.0
322.10287	1.1
334.10690	1.2
336.08511	1.2
336.12244	21.5
374.71014	0.8
425.12817	0.6
468.14291	1.3
472.17404	5.5
484.17377	3.3
486.15363	6.4
500.16974	8.7
501.18015	4.4
516.16669	57.3
539.24506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46291	0.5
53.53050	0.5
57.45979	0.4
57.55778	0.5
58.30254	0.4
62.29618	0.5
70.06578	0.5
79.93872	0.5
82.43011	0.5
84.12596	0.5
128.90787	0.5
175.03938	0.6
207.06525	0.8
308.09033	0.8
326.10364	0.6
339.11026	67.2
354.13361	100.0
368.11539	1.0
425.07980	0.6
498.12283	0.6
516.19043	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84821	1.1
55.23233	1.1
69.37712	1.0
70.38268	1.2
90.18461	1.3
102.73940	1.1
123.99229	1.1
124.94054	1.1
250.08813	1.4
278.08105	68.9
279.08939	2.1
291.09232	1.4
292.09686	1.8
294.11200	15.3
306.07687	11.2
307.04889	2.7
307.08453	7.3
308.09155	1.7
319.08356	2.0
320.09265	11.4
322.07220	6.1
322.10840	7.0
324.08603	30.0
334.10727	7.3
336.12271	11.0
339.06927	2.9
339.11008	71.9
354.09253	2.6
354.13333	51.2
410.63690	1.2
428.81256	1.5
457.14771	1.8
470.12564	2.0
498.15768	1.4
500.13303	1.7
516.17413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51808	0.5
60.55529	0.4
81.58509	0.7
101.80081	0.6
104.94949	0.7
149.06023	2.8
179.17795	0.6
188.07129	2.5
190.08606	7.6
190.59760	0.7
206.08113	11.2
278.11911	1.0
304.10150	0.8
306.11224	28.0
317.54648	0.7
321.10052	4.4
326.10355	2.8
334.10904	1.5
336.12271	84.9
339.07547	3.1
354.09641	14.4
354.13370	90.2
492.58322	0.7
516.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69723	0.8
56.02028	0.7
56.97544	0.7
66.14169	0.8
69.41988	0.7
82.74240	0.7
157.96672	0.8
218.97073	0.9
278.08115	29.3
292.09607	9.5
293.09988	1.2
304.09668	4.4
306.04941	1.2
306.07623	35.3
307.08307	4.4
320.09134	16.0
321.09845	25.4
322.10254	5.8
336.12292	100.0
337.12589	22.4
339.07318	1.3
354.09723	7.7
454.16772	1.3
468.14316	2.0
471.16635	1.3
472.17496	11.0
484.17413	4.0
486.15280	7.8
500.17001	13.7
501.18085	6.5
516.19702	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80782	0.7
77.99871	0.7
79.47440	0.8
81.58332	0.7
83.95865	0.9
85.61699	0.8
85.65973	0.7
90.93226	0.8
174.05576	1.0
184.07451	0.7
185.91414	0.9
232.59659	0.8
319.08353	1.5
320.09204	22.9
334.10806	1.2
336.12241	10.0
352.15710	0.9
370.10931	5.3
384.12390	1.6
386.13983	3.1
394.20090	1.1
398.09869	1.5
400.15500	4.1
410.17874	1.3
412.11765	1.7
416.11282	6.3
424.15393	6.1
428.15076	3.9
430.12924	14.8
438.17081	5.0
439.17792	1.6
441.15509	1.4
442.16849	3.7
444.14606	6.8
454.20117	4.5
456.18130	4.7
472.17557	6.4
482.16177	1.3
484.17688	2.0
486.15457	21.3
500.17007	16.1
501.17865	1.9
516.09497	5.8
516.20203	100.0
526.43402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04527	0.3
81.72121	0.3
92.87412	0.4
292.09683	11.6
304.09769	1.0
306.07523	3.5
307.08450	1.8
320.09152	15.3
321.06094	0.9
321.09930	28.4
335.58777	0.5
336.12280	100.0
420.01230	0.4
516.12781	2.0
516.20105	0.9
524.97162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81305	0.7
59.63647	0.9
72.55261	0.8
99.74873	0.9
105.18689	0.8
109.53203	1.0
118.54424	0.8
247.88123	1.1
278.08221	3.8
292.09677	5.9
304.06070	1.0
304.09515	1.8
306.07568	7.0
308.09262	0.9
320.09149	12.7
321.09958	24.0
322.10547	4.8
334.10788	2.1
335.10965	4.1
336.12271	100.0
339.07339	2.0
354.09744	11.8
440.14243	1.2
468.14078	4.3
468.20712	1.2
470.15970	1.2
472.17755	8.8
484.17816	6.4
486.15228	6.1
500.17047	10.8
501.17932	7.4
516.20514	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83094	0.4
72.74934	0.4
91.01440	0.5
129.13719	0.4
198.70650	0.5
206.44412	0.5
277.67938	0.4
292.09671	10.3
304.09760	0.9
306.07544	4.3
320.09131	13.6
321.09946	29.2
336.12280	100.0
399.07471	0.5
402.70444	0.5
516.19556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90757	0.5
66.56534	0.6
68.33134	0.5
74.99390	0.5
92.20902	0.6
123.49446	0.7
175.23184	0.6
234.82613	0.7
252.53976	0.7
278.08105	39.1
284.32587	0.6
291.09201	0.6
292.09775	5.5
304.09628	5.8
306.07599	57.8
307.08377	5.8
319.95032	0.6
320.09244	12.2
321.09982	17.0
326.10233	4.0
336.12286	100.0
337.12589	2.7
354.09760	3.1
396.30865	0.7
454.16544	0.7
456.14105	2.4
463.91006	0.7
468.14502	2.9
470.16333	1.1
471.17026	0.8
472.17654	7.2
482.16025	1.4
483.16650	2.3
484.17374	4.6
486.15164	9.0
500.17114	13.2
501.18002	7.5
516.19672	41.9
528.75702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57846	0.6
77.79877	0.7
90.98300	0.8
93.99346	0.8
120.70830	0.7
158.05331	0.7
168.69560	0.8
202.75140	0.7
212.55803	0.7
271.35138	0.7
278.08102	8.7
292.09882	3.4
304.09915	1.3
306.07617	12.5
307.08469	1.0
308.65598	0.9
320.09140	5.5
321.09857	10.1
334.10950	1.1
336.12280	56.1
381.31226	0.8
440.15240	4.0
442.17078	1.3
454.16672	3.3
457.15253	1.2
468.14621	7.9
469.15076	0.8
470.16293	2.6
471.16418	1.4
472.17517	16.8
482.16132	5.8
483.17096	1.6
484.17532	8.4
486.15182	14.6
500.17010	23.4
501.17722	17.1
516.20355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.202
Annotation	Unknow
Peak:m/z	Relative Intensity
94.19469	0.4
118.18867	0.6
119.07266	0.6
240.01231	0.5
278.08093	11.5
292.09616	5.2
304.09784	1.1
306.07608	14.8
307.08630	2.2
308.13080	0.6
316.29089	0.5
320.09155	7.8
321.09940	14.2
335.11069	1.0
336.12283	65.6
350.13889	0.8
362.13892	0.8
440.15213	3.5
454.16855	3.6
456.14545	1.2
458.16000	0.9
468.14392	7.2
469.15057	0.7
470.16235	3.3
471.17377	2.1
472.17578	17.1
482.16043	5.0
483.16415	3.7
484.17593	9.0
485.14465	0.7
486.15283	17.1
487.16132	0.6
489.88007	0.6
500.17023	21.7
501.17786	17.3
516.20422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52574	0.5
65.44574	0.5
69.03416	0.7
85.02924	0.7
86.09707	100.0
89.57281	0.6
90.01530	0.7
97.02894	4.7
97.56753	0.6
109.02858	1.0
121.06485	3.0
122.06828	1.2
127.03939	2.3
132.10202	73.9
136.50079	0.6
136.83546	0.5
138.09125	1.0
145.04970	1.0
177.05475	1.1
192.06602	0.7
192.10172	1.2
205.04964	2.3
205.07048	3.4
274.07175	0.6
286.63638	0.6
313.09409	0.8
328.11923	2.5
334.26413	0.6
337.10092	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
57.50563	0.5
64.15172	0.5
70.33904	0.5
75.83286	0.5
91.05861	0.5
93.07056	0.8
109.10141	0.7
125.88791	0.6
167.59538	0.6
292.09671	9.3
304.09723	2.8
306.07602	3.1
320.09189	12.4
321.09946	35.1
336.12289	100.0
516.23853	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35070	2.1
61.38498	1.9
66.23190	2.0
67.05493	6.0
78.76563	2.2
81.07063	27.0
85.02905	26.5
92.20940	5.7
93.07021	10.0
95.08611	26.3
95.20850	2.7
97.02869	5.0
105.07019	11.2
107.08588	16.3
108.65300	2.5
109.09414	3.7
109.10140	40.0
111.11710	3.4
114.63596	2.5
119.08559	3.9
121.10147	19.2
123.11678	17.3
125.09602	10.2
131.08543	3.7
133.10135	31.3
135.11674	20.1
139.11145	16.6
145.10159	5.4
147.11668	46.6
149.13266	33.1
150.28006	2.5
151.11198	11.7
159.11661	16.7
161.13219	16.8
163.14873	2.8
173.13252	11.0
175.14865	4.5
178.57170	2.6
179.10616	9.7
187.14648	2.9
193.12238	54.6
199.14867	20.1
205.12233	11.6
213.16389	4.9
227.17859	9.2
231.21037	3.5
243.21019	3.9
245.15373	3.9
255.21045	79.0
273.22101	85.8
278.08032	9.5
283.20560	5.6
289.21548	4.7
291.23077	49.2
301.21625	100.0
306.07565	10.9
307.08319	3.6
308.08954	3.2
319.08145	4.1
319.22598	47.5
320.05637	3.1
320.09171	22.6
321.09680	4.8
322.10529	10.5
334.07065	4.7
334.10602	23.5
336.12222	14.7
337.23740	57.3
349.09296	3.5
516.19666	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
63.16187	1.1
64.91268	1.2
67.05492	1.6
79.00000	1.3
79.05490	2.3
81.07053	6.8
83.05002	1.6
85.02899	6.4
85.08836	1.3
85.25755	1.4
91.05473	2.9
93.07034	3.1
95.08600	7.7
105.07052	2.6
107.08601	12.3
109.10141	3.4
119.08566	7.3
121.06506	2.1
121.10146	6.1
123.11633	2.1
125.09647	13.8
129.43912	1.4
131.08583	6.0
133.10118	6.3
135.11711	2.1
137.09644	1.5
143.08572	2.8
145.10132	8.2
147.11664	7.0
149.09541	1.5
149.91667	1.7
155.08588	2.1
157.10123	5.6
159.11699	9.6
167.08607	1.7
167.10690	1.7
169.10097	4.9
171.11632	6.5
173.13239	6.8
181.10123	2.2
183.11716	13.3
185.13301	10.3
187.14792	2.3
195.11659	8.5
196.63130	1.5
197.13289	20.1
199.14832	18.1
201.12694	1.9
201.16357	7.7
209.13255	11.6
211.14764	2.3
223.14786	12.4
225.16328	7.5
227.14262	3.1
227.17969	2.2
236.15608	1.8
237.14124	1.8
237.16339	1.8
239.18054	2.2
247.01744	1.6
252.18567	1.4
253.19502	13.6
255.21083	7.8
265.19507	23.3
271.20709	4.6
278.08182	18.7
283.20566	87.6
292.09686	9.6
293.09976	13.2
301.21655	23.1
304.09573	1.9
306.07605	35.7
307.08081	7.5
308.08978	1.7
319.22687	40.4
320.09186	21.6
321.09775	36.8
322.10312	31.5
334.10834	2.8
336.12268	67.5
337.12631	100.0
337.16705	3.5
337.23630	2.3
354.05984	1.6
481.28033	2.2
516.16852	29.2
535.03552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23875	2.0
53.78722	1.9
54.67475	1.8
55.05523	2.2
56.93965	1.8
57.03426	1.8
57.07079	13.0
60.39511	1.7
69.07062	4.6
73.02934	3.9
79.05502	4.4
80.50079	2.2
80.77540	2.7
81.07056	8.7
85.06535	12.2
86.81712	2.2
91.05468	10.4
91.51794	2.8
92.21523	2.8
93.07087	2.5
99.04496	3.2
104.10069	4.5
104.10748	100.0
107.08569	2.7
111.08105	10.6
127.07547	13.4
132.10199	13.8
133.10127	70.6
133.11058	4.2
149.09598	23.7
153.09076	3.8
170.43500	2.4
171.10161	8.7
189.11174	11.6
234.51439	2.3
243.17798	2.4
337.19971	5.0
424.43164	2.5
485.28918	15.2
516.38647	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46234	2.4
55.05516	19.1
57.03450	4.2
57.07089	12.9
63.78327	3.8
67.05508	63.7
69.03438	23.7
69.07069	41.2
71.04977	4.1
79.05501	22.5
81.03429	35.7
81.07061	100.0
83.04990	5.2
83.08598	26.2
85.02911	22.0
85.06554	7.4
86.23289	3.5
91.05465	23.3
93.07058	42.5
95.04971	4.6
95.08596	64.5
97.02898	17.2
97.06520	6.9
97.10159	7.1
99.08082	4.1
105.07047	23.1
107.08603	30.1
109.02868	13.9
109.06480	5.2
109.10149	26.5
111.08099	4.9
119.08546	23.7
121.10152	26.8
123.11713	16.5
125.09609	5.9
127.03909	7.2
127.35871	3.2
131.08591	6.5
133.10144	34.6
135.08179	4.0
135.11710	22.9
137.13310	5.4
145.10104	11.5
147.11681	29.3
149.13254	8.0
151.11147	3.8
151.14848	3.3
159.11693	7.7
161.13284	13.3
175.14886	5.4
199.14836	3.6
217.19539	13.4
229.19543	3.8
233.19064	4.6
235.20549	19.9
251.19975	3.7
270.20728	3.6
319.26334	30.7
325.21606	5.9
335.84442	4.0
337.27304	4.9
343.22592	18.6
361.23776	29.0
379.24869	48.0
397.25656	14.1
446.51178	3.9
516.35889	20.6
516.44843	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35780	0.5
55.05517	1.3
56.05037	0.9
57.07077	0.8
60.04531	5.5
67.05500	7.3
69.03454	0.9
69.07058	5.6
69.70694	0.6
70.02947	1.1
71.08662	0.6
72.04488	0.6
74.06082	1.2
79.05496	3.0
80.05016	5.7
81.07060	7.0
82.06586	0.8
83.08624	3.0
91.05476	1.4
93.07047	3.5
94.61073	0.8
95.08604	7.2
97.10155	1.2
107.08588	1.3
109.10170	12.6
111.11725	1.0
118.05047	0.8
119.08568	1.3
121.06496	3.3
121.10134	1.0
133.10092	1.2
135.11668	0.8
137.09624	3.8
150.12785	0.8
154.12256	19.2
156.13893	1.0
166.12283	1.4
168.13824	4.1
172.13312	17.3
178.12308	1.4
182.15456	1.1
184.13312	10.9
186.12817	0.6
186.14873	4.1
196.13309	24.2
198.14873	8.9
200.16481	2.7
210.14983	1.5
214.14359	37.8
216.15924	12.9
230.78046	0.7
242.13925	3.4
260.14835	5.8
336.12463	0.9
393.66238	0.7
405.83539	0.7
437.68375	0.8
452.37442	1.5
470.38379	1.0
498.37994	3.9
516.38977	100.0
541.08575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35780	0.5
55.05517	1.3
56.05037	0.9
57.07077	0.8
60.04531	5.5
67.05500	7.3
69.03454	0.9
69.07058	5.6
69.70694	0.6
70.02947	1.1
71.08662	0.6
72.04488	0.6
74.06082	1.2
79.05496	3.0
80.05016	5.7
81.07060	7.0
82.06586	0.8
83.08624	3.0
91.05476	1.4
93.07047	3.5
94.61073	0.8
95.08604	7.2
97.10155	1.2
107.08588	1.3
109.10170	12.6
111.11725	1.0
118.05047	0.8
119.08568	1.3
121.06496	3.3
121.10134	1.0
133.10092	1.2
135.11668	0.8
137.09624	3.8
150.12785	0.8
154.12256	19.2
156.13893	1.0
166.12283	1.4
168.13824	4.1
172.13312	17.3
178.12308	1.4
182.15456	1.1
184.13312	10.9
186.12817	0.6
186.14873	4.1
196.13309	24.2
198.14873	8.9
200.16481	2.7
210.14983	1.5
214.14359	37.8
216.15924	12.9
230.78046	0.7
242.13925	3.4
260.14835	5.8
336.12463	0.9
393.66238	0.7
405.83539	0.7
437.68375	0.8
452.37442	1.5
470.38379	1.0
498.37994	3.9
516.38977	100.0
541.08575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
56.49764	0.5
57.03440	1.0
57.07068	1.1
58.06610	6.7
59.07366	1.3
60.08172	18.2
65.53620	0.5
67.05483	2.4
69.07052	2.8
71.01344	1.2
72.35848	0.5
75.04462	0.9
81.07055	4.3
83.08596	3.4
83.76688	0.6
84.08128	0.8
87.04438	2.6
88.07594	0.7
89.02377	3.1
95.08572	3.5
97.10136	3.3
99.69373	0.6
100.07629	5.3
101.02354	0.7
102.09109	0.6
107.08555	0.8
109.10179	0.7
111.08038	0.8
118.08661	35.8
118.78339	0.5
121.10108	1.3
135.11713	0.7
137.76598	0.5
147.12218	0.6
160.09615	1.2
163.14787	1.1
178.10666	1.1
180.17400	3.2
181.17694	1.3
187.24861	0.6
215.12735	1.0
216.12238	1.1
226.17986	2.8
227.18282	0.9
242.24791	0.7
243.15770	0.9
252.14412	100.0
252.19063	2.6
252.19467	2.7
253.19849	0.8
270.20773	5.7
271.20990	6.4
426.21841	0.6
436.37347	2.4
454.38516	3.2
498.37881	12.3
516.38489	69.6
516.44312	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04119	1.0
55.05516	2.5
57.03435	1.3
58.06598	9.3
59.07380	1.6
60.08174	23.6
61.79014	1.2
62.26391	1.2
65.14777	1.3
67.05501	2.5
69.07059	7.8
77.61788	1.2
81.07063	6.1
81.55765	1.1
83.08599	2.5
84.08165	1.4
89.02395	2.3
95.08591	7.1
97.10172	2.3
100.03259	1.4
100.07618	8.4
101.02404	1.5
101.65622	1.4
101.98919	1.5
103.72987	1.2
109.10168	1.5
114.01454	1.2
118.08656	39.0
121.10125	1.4
136.06195	2.4
138.79288	1.4
160.09715	1.9
206.39561	1.3
252.11775	2.7
252.14415	79.0
320.09238	6.4
436.37646	1.3
454.38553	2.5
498.37677	12.9
516.32166	10.8
516.38849	100.0
540.79987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44834	0.4
86.82106	0.4
103.28570	0.4
113.00533	0.4
115.14403	0.4
122.81332	0.4
142.06938	0.4
168.39433	0.4
208.43614	0.4
237.41023	0.4
292.09668	14.6
304.09653	2.3
306.07559	6.1
320.09143	16.7
321.09943	39.2
322.10367	0.6
330.52631	0.4
336.12283	100.0
337.12640	3.5
517.19745	41.8
531.71820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39284	0.4
56.58599	0.4
67.18727	0.4
70.68634	0.4
80.95102	0.5
99.04456	2.4
107.06855	0.4
113.58403	0.4
137.05971	1.0
177.05508	0.7
179.35460	0.5
216.76872	0.4
225.81126	0.5
240.47667	0.5
261.52942	0.4
266.60812	0.4
271.54306	0.5
294.11240	10.4
306.11218	2.3
307.12085	0.6
308.09195	4.4
319.08127	0.8
320.09109	1.1
321.09906	1.8
322.10709	14.3
323.11472	29.7
334.10864	1.8
336.12125	3.4
337.12799	3.8
338.13834	100.0
339.07440	0.5
340.07718	2.2
352.15137	0.8
354.09692	2.6
355.10010	10.0
363.78674	0.6
517.14264	2.2
517.19861	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2695
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
56.56011	0.4
70.12112	0.5
95.01284	0.5
102.09131	0.6
116.01284	0.5
176.45889	0.5
199.17615	0.6
200.48659	0.7
202.25153	0.5
318.07602	5.1
332.09247	2.7
333.10049	7.1
337.12741	0.8
432.69995	0.6
460.24838	0.6
488.24393	1.1
517.27020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84428	0.8
55.05524	1.4
56.05032	1.5
56.75090	1.1
56.77370	0.8
57.03465	0.8
57.07080	1.2
58.06603	7.2
60.04513	1.5
67.05505	5.0
69.07072	1.9
71.08649	1.0
72.04525	10.8
73.02921	1.5
74.06080	4.6
79.88720	0.9
81.07076	9.0
83.08615	1.7
86.06059	1.6
86.09708	4.9
88.07641	9.0
91.05496	2.1
93.07041	2.5
95.08575	8.5
99.04446	1.6
100.11265	100.0
102.34714	1.0
104.07143	4.0
105.03378	12.4
105.07045	2.3
107.08584	2.0
109.10169	4.4
119.08578	4.2
121.10149	1.7
122.08145	5.1
123.11674	1.3
128.10724	63.8
131.08627	1.4
135.11687	1.3
147.08031	1.9
149.13312	1.2
152.28215	1.0
156.10182	12.9
160.07603	8.1
165.09128	2.4
170.11668	1.2
171.14885	8.2
175.03905	1.4
199.14410	23.9
206.08138	4.2
231.11237	16.8
242.24803	14.0
245.22603	1.8
250.49533	1.1
259.20084	1.4
263.23709	4.4
277.12015	2.0
290.26831	5.5
312.22766	1.1
315.19077	1.6
336.12228	4.0
337.12717	1.8
366.94083	1.1
386.20590	2.2
404.21863	15.5
405.05096	1.2
446.26425	8.6
469.36493	8.3
499.32455	1.8
517.30121	25.9
517.38330	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	15.2
57.03438	10.4
57.07085	15.3
58.06600	1.7
61.02914	2.1
62.73277	1.4
62.79353	1.7
64.26746	1.9
67.05513	80.9
69.03437	1.8
69.07076	37.3
71.04985	1.6
71.08636	10.1
73.02912	2.9
74.55505	1.9
79.05488	20.0
79.14599	1.7
79.72343	1.9
81.03416	3.0
81.07067	99.1
83.05000	2.6
83.08614	28.8
85.02897	4.2
85.06544	2.9
85.10168	2.6
87.33941	2.0
88.07629	6.8
89.50066	1.8
91.05489	16.9
93.07047	32.4
95.07990	3.9
95.08609	100.0
97.02924	1.9
97.06532	10.1
97.10174	18.2
99.08103	3.0
104.07112	2.5
105.07030	10.5
107.08607	27.0
109.10159	51.2
111.08080	3.9
111.11707	4.2
117.26435	1.7
119.08601	18.0
121.10153	30.9
121.91076	1.7
123.08110	2.2
123.11709	29.2
125.09646	2.1
131.08563	2.5
133.10123	28.5
135.11694	17.0
137.13284	9.1
139.11223	2.3
141.12746	2.3
147.11719	21.3
149.13243	17.2
151.14812	2.7
157.10201	1.9
161.13254	17.4
163.14809	11.4
165.12631	2.0
165.16380	3.2
175.11229	2.5
175.14781	12.8
177.16347	1.9
179.17996	3.4
189.16342	3.5
213.00110	2.8
219.21126	1.8
220.96558	2.1
223.00618	1.9
242.24840	16.1
245.22627	53.8
263.23685	76.6
337.27350	53.3
355.28345	7.5
499.32834	16.0
517.42267	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50605	1.3
53.22672	1.1
55.05513	3.3
56.05035	2.3
57.07080	7.2
58.06608	2.7
60.41869	1.1
60.42692	1.4
66.38108	1.1
67.00209	1.2
67.05508	19.7
69.07069	6.4
71.08620	2.9
73.02911	7.0
74.06084	7.3
79.05502	7.2
81.03427	1.4
81.07061	26.8
82.03911	1.4
83.08617	12.2
85.02911	2.9
85.10191	2.7
86.06049	1.6
88.07627	16.3
91.05477	6.7
93.07063	10.1
95.04983	2.1
95.08604	26.1
97.02896	2.6
97.06544	1.9
97.10195	2.4
100.07637	1.4
104.07104	7.6
104.39618	1.2
105.07038	7.2
107.08610	7.9
109.10133	12.1
111.08086	1.7
119.08561	10.5
121.06506	1.5
121.10139	14.2
122.08137	11.1
123.11733	7.1
129.07002	1.8
133.10127	9.6
133.82706	1.3
135.11708	2.9
137.13310	1.6
139.07562	3.0
147.08052	2.8
147.11696	5.6
149.09593	2.0
149.13274	2.1
157.10139	1.9
161.13257	6.4
163.14836	1.5
165.09091	9.1
175.14821	2.4
187.14844	1.5
193.08543	1.7
211.09746	2.4
227.12799	1.7
228.23436	1.8
241.18980	1.4
242.24765	29.1
245.22720	13.8
263.23712	22.1
290.26758	12.4
315.19189	7.2
336.12311	3.1
337.12784	1.8
337.27356	6.5
345.19958	1.7
355.28357	2.5
386.21445	1.3
393.25970	1.5
398.34967	1.3
469.36404	23.4
499.32486	9.9
517.38489	100.0
531.46667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18550	2.5
55.05512	16.8
55.65895	2.7
57.03441	7.2
57.07072	12.8
62.42659	2.7
67.05508	79.6
69.07076	21.3
71.08616	3.3
73.43893	2.7
79.05486	19.1
81.06614	6.0
81.07062	100.0
83.08624	19.4
84.07333	3.0
85.10178	4.3
87.04402	2.6
91.05463	5.6
93.07049	22.1
95.08609	83.7
97.00533	3.1
97.02936	3.1
97.10151	13.3
99.08125	3.9
105.07041	12.6
107.08580	29.4
109.10160	52.2
119.08569	12.7
121.10137	30.3
122.05544	3.0
123.11713	25.0
125.09572	3.3
133.10135	21.9
135.11697	13.1
137.13272	7.2
147.11705	20.2
149.13239	7.1
151.14818	3.1
161.13240	15.0
163.14810	5.8
165.16434	5.3
175.14772	6.4
179.17947	4.0
212.63506	2.9
245.22636	45.8
263.23663	69.7
337.27255	28.7
405.61765	3.5
486.68579	3.5
499.32547	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03438	2.5
57.07072	12.0
60.89998	2.3
61.02921	4.0
66.61669	2.7
67.05182	4.0
67.05507	72.8
69.07071	24.6
71.08640	3.5
79.05496	20.4
81.07059	100.0
83.08611	24.5
85.02899	3.1
85.10155	3.0
91.05476	6.2
93.07043	28.4
95.08610	89.5
97.06551	4.2
97.10180	13.6
105.07040	12.7
107.08591	23.6
109.10150	49.1
118.78443	2.8
119.08572	18.4
121.10163	27.9
123.11688	18.5
129.21254	2.8
133.10124	26.7
135.11659	12.0
137.13281	6.3
147.11684	14.5
149.13271	6.4
151.14896	3.8
161.13182	20.4
163.14821	5.5
165.16338	7.0
175.14812	11.9
179.17995	4.4
210.03838	2.7
230.37527	2.8
238.10463	47.9
245.22556	43.7
248.16171	3.2
263.23679	62.9
337.27347	54.1
344.60880	3.4
355.28372	4.2
409.84915	3.1
476.21414	12.8
499.32285	12.8
517.40369	23.0
542.51459	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64520	2.3
55.05515	12.3
57.07076	9.8
61.02941	2.7
67.05512	73.8
69.07072	30.3
70.62060	2.5
71.08642	6.4
71.48439	2.3
79.05495	14.4
81.07056	100.0
83.04987	3.7
83.08627	18.1
85.02905	4.1
85.06532	3.3
91.05468	11.0
93.07052	31.7
95.08602	89.3
97.06509	3.9
97.10155	12.9
99.08101	3.2
100.12827	2.3
105.07044	15.1
107.08616	22.0
109.10152	44.0
119.08572	17.3
121.10126	28.6
123.11683	16.9
131.92963	3.3
133.10114	21.5
135.11700	14.4
137.13232	11.5
147.11694	15.6
149.13260	11.6
151.14780	3.0
156.01971	2.6
161.13251	12.8
163.14841	9.7
165.16376	4.5
174.71733	2.7
175.14784	11.4
179.17821	3.3
189.16360	4.0
238.10541	6.2
245.22673	44.8
263.23672	80.0
337.27292	33.9
499.32336	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3884
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
50.79730	0.6
52.27964	0.7
54.41793	0.6
54.43108	0.9
55.05516	6.7
56.79154	0.6
57.03436	3.4
67.05511	11.7
69.07070	7.9
75.24397	0.7
79.05505	8.5
80.04236	0.6
81.07062	18.4
81.07510	1.4
83.08640	6.1
85.06528	1.0
88.43758	0.7
91.05482	5.9
93.07044	13.3
95.08613	13.9
97.06538	1.2
97.10148	3.4
99.98148	0.7
105.07033	10.8
107.08591	14.5
109.10158	9.1
111.08089	1.2
117.07009	3.8
119.08572	12.3
121.00711	0.7
121.10136	11.8
123.11723	3.8
125.09641	1.4
131.08592	8.8
133.10129	13.1
135.11687	5.6
143.08629	1.9
145.10149	9.8
147.11690	12.0
149.13290	3.5
157.10168	3.9
159.11703	6.0
161.13239	5.5
163.14812	1.2
169.10164	1.7
171.11676	3.4
173.13255	6.8
175.14832	4.0
177.16431	1.1
183.11758	1.8
185.13292	1.5
187.14825	3.8
189.16467	1.2
197.13272	0.9
199.14882	3.2
201.16350	1.3
210.10973	5.6
211.14948	1.2
213.16432	1.1
241.17769	1.1
259.20731	1.0
273.22357	1.1
287.23712	1.2
299.23764	1.2
313.25488	0.8
346.11594	0.8
407.33096	1.0
409.43567	0.9
425.34216	4.1
499.37796	4.8
517.38983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.01879	0.9
55.05519	5.1
55.87939	0.7
57.03448	1.7
57.07084	1.0
58.93206	0.7
67.05509	15.2
69.07072	11.1
71.04984	1.3
71.08636	0.7
79.05493	8.5
81.07065	21.1
83.05015	1.1
83.08619	6.5
85.06548	0.9
91.05505	7.9
93.07042	15.9
95.04974	0.8
95.08078	1.2
95.08618	20.4
97.06522	1.6
97.10164	4.3
99.08070	1.0
102.59132	0.7
105.07045	10.9
107.08592	13.0
109.10163	12.7
117.07053	4.0
119.08577	13.9
121.10146	13.2
123.11708	3.6
125.09674	1.3
125.88094	0.7
129.07097	1.3
131.08582	10.4
133.10149	12.7
135.11702	9.1
143.08589	3.1
145.10124	9.9
147.11703	11.5
149.13231	5.8
155.08603	0.9
156.96756	0.9
157.10167	3.8
159.11681	10.3
161.13286	7.4
163.14861	3.3
167.08669	0.9
169.10162	0.8
171.11658	5.3
173.13217	7.7
175.14868	2.9
177.16492	1.0
181.10080	1.0
183.11690	1.4
185.13306	4.9
187.14746	6.1
189.16296	0.9
199.13197	0.7
199.14859	3.8
201.16368	1.4
211.14919	1.2
213.16429	1.6
227.18054	1.1
259.20599	0.9
273.22107	0.7
299.23840	0.9
425.34454	6.5
443.35132	3.2
463.09216	0.9
499.37814	6.7
517.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
50.49816	1.1
53.50340	1.1
54.18604	1.1
54.39361	1.1
55.05515	6.3
57.03444	2.7
57.07085	1.3
57.25949	1.1
67.05513	15.8
69.07069	8.5
73.40685	1.5
79.05500	9.5
79.06651	1.4
81.07066	22.7
83.08617	7.2
89.18209	1.4
91.05490	9.3
92.20920	1.9
93.07035	17.2
95.08611	21.7
95.58443	1.5
97.10189	3.4
97.39133	1.3
105.07004	10.8
107.08601	14.4
109.02973	1.4
109.10156	13.2
117.07046	6.1
117.52504	1.5
119.08566	15.5
121.10119	12.5
123.11734	1.8
131.08533	12.1
133.10136	13.4
135.11713	8.4
143.08606	1.7
145.10129	7.4
147.11714	7.7
149.13264	5.9
157.10139	3.6
159.11659	10.5
161.13243	6.8
171.11700	2.6
173.13272	9.2
175.14848	1.8
185.13322	6.2
187.14822	6.1
189.88689	1.6
199.14731	2.6
309.07639	1.7
425.34262	6.3
433.29184	1.7
499.37781	9.3
517.38892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.8
56.13694	0.5
57.03439	2.8
57.07071	0.7
58.13522	0.5
58.34124	0.6
61.59491	0.7
61.99360	0.6
64.55166	0.6
66.19116	0.7
66.37984	0.6
67.05512	13.5
69.07067	7.2
69.23174	0.6
71.05019	0.7
79.05502	8.9
81.06628	0.9
81.07066	15.6
83.08618	4.8
91.05479	5.7
93.07050	13.9
95.08613	14.7
97.06530	1.5
97.10199	2.3
99.08100	1.1
105.07040	8.8
107.08607	12.3
109.06491	0.6
109.10149	9.4
110.49924	0.6
111.08096	1.6
117.07034	2.6
119.08577	9.8
121.10149	12.0
123.11723	2.9
129.07028	1.2
130.99300	0.7
131.08586	7.5
133.10141	10.2
135.11711	6.4
137.13309	0.7
143.08588	2.8
145.10121	8.9
147.11688	8.6
149.13281	5.8
155.08568	0.8
157.10172	3.7
159.11714	6.9
161.09612	0.8
161.13228	5.1
163.14763	2.7
169.10184	1.0
171.11687	3.4
173.13237	5.1
175.14868	4.6
183.11687	1.1
185.13293	3.7
187.14854	4.8
189.16423	1.0
199.14861	2.7
201.16489	1.4
213.16490	1.0
241.17986	0.9
259.20624	3.0
271.20435	0.8
279.63455	0.7
302.67343	0.7
425.34302	4.4
439.31656	0.7
443.35358	2.6
499.37823	6.9
517.38904	100.0
532.24628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09459	1.2
55.77415	1.1
60.54187	1.1
87.92474	1.3
92.03773	1.3
94.09397	1.6
95.08595	1.3
106.25892	1.5
135.11725	1.7
213.50478	1.2
238.14111	81.6
275.29297	1.5
275.88013	1.3
517.39832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75015	1.1
66.59933	1.2
71.74012	1.0
72.01192	1.0
76.67791	1.0
81.07065	1.3
84.75883	1.1
104.10742	18.2
105.11105	4.2
132.10197	1.7
210.11012	71.2
233.05452	1.0
233.17577	1.0
238.14120	9.3
251.90776	1.1
369.95273	1.1
509.56656	1.3
517.39709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01778	0.4
59.58384	0.5
64.55912	0.4
84.66472	0.5
97.50075	0.5
134.06052	0.6
135.04449	0.7
149.01305	0.5
149.02345	16.0
162.05493	21.0
178.04979	0.9
227.12878	0.5
263.03265	0.5
264.06543	47.8
264.98865	0.5
268.05994	6.7
282.07516	0.7
294.07574	12.3
310.07031	9.0
320.05533	0.9
338.06570	76.2
356.07617	100.0
364.80582	0.6
396.18497	0.6
518.12708	11.2
518.20074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	1.2
82.06570	6.9
83.04982	4.7
91.05456	1.4
92.21500	0.9
101.11831	1.0
110.06028	9.4
119.04945	1.4
134.06042	1.4
145.02831	12.5
148.07423	1.2
149.02333	13.2
149.05986	5.3
151.07521	14.3
162.05473	17.7
165.05482	1.8
175.03873	1.1
177.05475	16.4
178.05017	1.0
178.08661	1.9
179.09483	1.5
190.08629	22.8
191.09366	17.3
206.08121	1.9
208.09676	4.6
220.06026	7.2
253.08807	1.0
261.05304	1.0
264.06531	46.0
265.08551	1.4
268.06042	6.6
277.08698	1.6
294.07654	10.4
295.05981	5.2
307.05902	2.4
307.09207	1.2
308.09158	1.2
310.07156	8.5
323.04544	1.3
323.08054	1.9
325.10767	1.3
338.02347	1.2
338.06583	74.4
338.10074	5.4
338.13745	6.9
356.07620	100.0
356.11227	12.1
356.14706	37.8
518.12915	3.3
518.19733	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34867	0.3
56.93266	0.4
67.03829	0.3
75.35054	0.4
87.89317	0.4
99.80038	0.3
148.03218	0.4
151.98015	0.5
198.18690	0.5
267.99167	0.4
278.07965	0.6
295.26788	0.4
307.08350	53.6
316.22501	0.5
320.08905	0.8
321.09915	13.7
322.07062	10.4
324.08725	5.9
334.10855	0.7
335.11539	0.8
336.12509	0.4
340.11240	0.7
341.11584	0.8
355.13538	0.5
356.13934	1.0
415.13309	0.5
443.13672	3.3
457.11469	7.3
472.13861	45.3
503.12036	6.8
518.14325	100.0
536.75439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1446
Annotation	(-)-Neoacrimarine-J
Peak:m/z	Relative Intensity
50.93383	0.4
69.58268	0.5
71.16245	0.5
88.30992	0.5
89.01394	0.5
92.21621	0.6
92.72867	0.5
101.43784	0.5
144.91060	0.5
162.75291	0.6
165.46848	0.7
167.07828	0.5
173.04701	0.7
174.05574	0.6
199.07271	0.6
290.07999	2.5
302.08170	2.0
306.07422	0.7
318.07745	4.8
319.08383	11.0
320.09167	19.0
320.12778	1.0
321.09808	1.2
322.10114	1.3
323.10339	1.1
334.10718	47.7
335.11475	15.6
336.12000	0.8
337.12564	2.7
338.12866	3.2
348.12000	0.6
359.11362	0.8
374.09894	0.8
376.11844	6.3
386.10275	1.1
404.11194	2.4
414.09619	0.8
428.06833	0.6
432.10785	12.2
442.09058	2.3
460.10239	13.4
470.08405	4.0
472.10516	1.2
473.07306	1.3
475.12744	1.0
484.10309	0.7
486.11331	0.9
488.09680	20.8
490.14825	3.2
502.10907	0.7
503.12085	1.2
518.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1451
Annotation	(-)-Neoacrimarine-J
Peak:m/z	Relative Intensity
52.15574	1.3
64.00296	1.4
68.73181	1.3
70.74017	1.3
73.27648	1.5
92.21465	2.2
111.62392	1.3
119.04904	2.8
137.02394	2.6
137.05922	1.7
146.06062	1.9
149.06003	11.1
176.07083	3.1
190.04965	3.3
224.52785	1.9
275.34637	1.6
276.09717	1.5
280.09766	2.8
284.06873	2.1
290.08102	1.9
292.09686	3.1
306.07574	2.4
307.08432	1.9
308.09222	27.8
318.07675	1.9
319.08521	12.2
320.09180	100.0
321.09897	2.8
322.10803	7.0
323.11563	57.7
334.07047	5.1
334.10767	16.6
336.08511	8.0
336.12241	10.1
338.13712	2.0
346.07025	3.9
347.07782	6.3
348.08508	3.0
349.09479	2.3
350.09872	2.5
352.15402	8.5
360.08719	1.9
362.10291	3.7
364.11798	9.1
408.10724	3.4
415.08191	8.8
426.09662	10.9
428.11487	2.5
430.10352	8.4
439.10974	2.6
440.11005	1.9
441.12079	12.2
442.13428	2.0
444.14651	2.9
456.14731	5.9
470.12573	6.4
472.14090	22.7
474.15500	14.9
486.15375	6.3
488.13336	10.0
500.13412	47.7
502.15060	22.1
503.15643	3.9
503.52042	1.8
518.13464	86.5
518.21545	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15574	1.3
64.00296	1.4
68.73181	1.3
70.74017	1.3
73.27648	1.5
92.21465	2.2
111.62392	1.3
119.04904	2.8
137.02394	2.6
137.05922	1.7
146.06062	1.9
149.06003	11.1
176.07083	3.1
190.04965	3.3
224.52785	1.9
275.34637	1.6
276.09717	1.5
280.09766	2.8
284.06873	2.1
290.08102	1.9
292.09686	3.1
306.07574	2.4
307.08432	1.9
308.09222	27.8
318.07675	1.9
319.08521	12.2
320.09180	100.0
321.09897	2.8
322.10803	7.0
323.11563	57.7
334.07047	5.1
334.10767	16.6
336.08511	8.0
336.12241	10.1
338.13712	2.0
346.07025	3.9
347.07782	6.3
348.08508	3.0
349.09479	2.3
350.09872	2.5
352.15402	8.5
360.08719	1.9
362.10291	3.7
364.11798	9.1
408.10724	3.4
415.08191	8.8
426.09662	10.9
428.11487	2.5
430.10352	8.4
439.10974	2.6
440.11005	1.9
441.12079	12.2
442.13428	2.0
444.14651	2.9
456.14731	5.9
470.12573	6.4
472.14090	22.7
474.15500	14.9
486.15375	6.3
488.13336	10.0
500.13412	47.7
502.15060	22.1
503.15643	3.9
503.52042	1.8
518.13464	86.5
518.21545	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88294	0.6
92.20988	0.9
120.30812	0.5
192.03438	0.7
241.93437	0.7
278.08069	0.9
279.08414	2.8
280.08557	1.3
307.08356	61.0
308.08920	0.7
319.08154	2.4
320.09140	17.0
321.09906	17.1
322.07129	11.7
324.08667	5.5
334.10782	6.4
335.11493	9.5
336.11899	1.0
338.06366	2.0
434.94400	0.6
443.13614	4.5
457.11703	8.3
472.13852	50.6
503.11948	8.4
515.31256	0.7
518.14233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1444
Annotation	(-)-Neoacrimarine-J
Peak:m/z	Relative Intensity
55.34867	0.3
56.93266	0.4
67.03829	0.3
75.35054	0.4
87.89317	0.4
99.80038	0.3
148.03218	0.4
151.98015	0.5
198.18690	0.5
267.99167	0.4
278.07965	0.6
295.26788	0.4
307.08350	53.6
316.22501	0.5
320.08905	0.8
321.09915	13.7
322.07062	10.4
324.08725	5.9
334.10855	0.7
335.11539	0.8
336.12509	0.4
340.11240	0.7
341.11584	0.8
355.13538	0.5
356.13934	1.0
415.13309	0.5
443.13672	3.3
457.11469	7.3
472.13861	45.3
503.12036	6.8
518.14325	100.0
536.75439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54198	0.5
59.69395	0.5
75.59733	0.5
75.69102	0.5
80.07164	0.5
90.11910	0.6
138.03128	0.6
178.15340	0.6
204.10291	0.9
206.11761	41.0
253.60028	0.7
312.08560	0.9
323.07880	2.6
326.06549	21.0
341.08929	92.3
356.11288	100.0
356.18130	23.0
518.16333	28.0
518.23773	27.2
533.69067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70117	0.5
86.09747	0.5
115.43916	0.5
136.36038	0.5
154.09523	0.5
162.05489	0.7
177.05432	0.6
197.75557	0.4
203.20677	0.4
212.12912	0.5
218.15074	0.4
278.08313	0.5
279.06543	1.1
294.07623	1.9
307.08414	3.5
311.09122	0.5
322.07062	14.8
323.07803	2.1
326.10120	2.7
338.10199	100.0
340.11670	5.5
341.12442	5.8
353.62457	0.5
356.07907	2.2
356.11264	44.6
356.14505	1.7
471.52032	0.6
518.16541	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70117	0.5
86.09747	0.5
115.43916	0.5
136.36038	0.5
154.09523	0.5
162.05489	0.7
177.05432	0.6
197.75557	0.4
203.20677	0.4
212.12912	0.5
218.15074	0.4
278.08313	0.5
279.06543	1.1
294.07623	1.9
307.08414	3.5
311.09122	0.5
322.07062	14.8
323.07803	2.1
326.10120	2.7
338.10199	100.0
340.11670	5.5
341.12442	5.8
353.62457	0.5
356.07907	2.2
356.11264	44.6
356.14505	1.7
471.52032	0.6
518.16541	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39838	1.7
57.60835	2.0
59.15313	1.9
67.36841	2.3
69.09198	1.9
76.35539	2.1
84.59894	1.9
172.65604	2.4
183.12889	2.4
188.07039	2.4
206.11694	16.1
241.44440	2.4
274.48608	2.3
279.08731	3.7
307.08334	50.5
320.09174	12.7
321.09900	3.6
322.10742	100.0
334.10742	3.2
336.12283	3.0
356.18500	10.8
367.39075	2.8
457.33160	2.5
513.41479	2.4
518.18036	74.4
518.23444	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85066	0.3
58.73476	0.3
61.21972	0.3
74.71432	0.3
92.73836	0.4
151.09863	0.4
175.41879	0.3
206.11786	9.4
222.23286	0.4
222.69092	0.4
250.08694	0.5
279.08795	4.5
294.11282	2.5
307.08377	43.7
320.09052	5.4
321.09998	0.5
322.10727	100.0
334.10626	3.3
356.18582	3.9
402.19135	0.4
518.18030	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50912	0.5
54.46908	0.4
76.28149	0.5
89.25769	0.5
173.02031	0.6
249.67897	0.5
250.08838	0.7
279.08975	1.2
280.09692	2.3
293.10339	0.5
294.11209	14.9
294.14279	0.7
306.07892	0.7
307.08673	0.6
308.09213	0.8
308.12918	0.5
320.09183	0.6
321.09894	1.2
322.10577	1.3
323.11078	0.7
334.10855	0.7
336.12225	9.0
337.12851	5.2
338.13049	2.6
352.11600	1.8
352.19522	0.6
379.70645	0.6
428.14908	8.5
440.15088	1.3
441.11938	0.7
442.12720	2.3
443.17331	2.4
456.14590	8.1
457.15192	9.4
460.13861	2.8
472.17648	22.1
474.15564	14.3
486.15646	5.4
488.13443	14.2
500.13400	1.2
502.14938	30.5
503.15710	12.1
518.18115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	0.4
65.93596	0.4
69.33884	0.5
92.21532	0.7
106.25156	0.4
150.89127	0.4
186.42699	0.6
279.08771	4.8
292.09784	0.8
294.11227	4.5
296.04871	0.5
307.08368	39.0
320.09149	5.3
322.10721	100.0
323.11429	1.1
323.63965	0.5
334.10699	3.5
336.12296	0.7
338.13907	4.0
341.08951	0.8
348.28690	0.5
356.11353	2.1
400.93088	0.5
420.14413	0.6
518.18030	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20030	0.5
63.78962	0.6
67.20459	0.6
119.04982	0.9
124.05221	6.0
132.74016	0.7
137.05998	3.8
137.76305	0.7
148.40205	0.7
152.08356	2.7
162.06828	0.9
180.07878	3.9
280.06195	3.7
295.08423	14.4
308.09250	1.6
310.07214	2.6
310.10684	19.1
310.14331	0.8
324.08759	4.5
336.08624	3.1
338.10199	2.6
366.09680	8.1
458.12491	7.4
470.12405	11.8
485.14844	3.7
488.13406	52.2
503.15631	25.8
518.18121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39838	1.7
57.60835	2.0
59.15313	1.9
67.36841	2.3
69.09198	1.9
76.35539	2.1
84.59894	1.9
172.65604	2.4
183.12889	2.4
188.07039	2.4
206.11694	16.1
241.44440	2.4
274.48608	2.3
279.08731	3.7
307.08334	50.5
320.09174	12.7
321.09900	3.6
322.10742	100.0
334.10742	3.2
336.12283	3.0
356.18500	10.8
367.39075	2.8
457.33160	2.5
513.41479	2.4
518.18036	74.4
518.23444	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18512	0.3
108.17826	0.4
110.87137	0.4
126.66122	0.3
167.65874	0.3
177.18935	0.4
181.77823	0.3
226.94560	0.3
238.44688	0.4
279.08896	0.7
280.09689	4.1
294.07935	0.7
294.11212	15.3
294.14279	0.7
306.11288	2.4
307.08521	1.2
308.09146	8.9
308.12375	0.5
318.07843	0.5
319.08362	0.8
320.09082	3.4
321.09668	2.6
322.10706	13.3
322.14600	0.6
323.11496	36.2
334.10626	3.4
335.11212	0.8
336.11942	2.2
337.12515	1.7
338.13840	100.0
356.11322	0.9
414.13147	0.4
442.08109	0.5
444.14111	2.2
456.14801	0.6
457.15329	0.5
472.17401	2.2
474.14960	2.1
486.14841	0.9
488.12839	1.7
500.12973	0.6
502.15005	5.0
503.14862	2.1
518.17407	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50912	0.5
54.46908	0.4
76.28149	0.5
89.25769	0.5
173.02031	0.6
249.67897	0.5
250.08838	0.7
279.08975	1.2
280.09692	2.3
293.10339	0.5
294.11209	14.9
294.14279	0.7
306.07892	0.7
307.08673	0.6
308.09213	0.8
308.12918	0.5
320.09183	0.6
321.09894	1.2
322.10577	1.3
323.11078	0.7
334.10855	0.7
336.12225	9.0
337.12851	5.2
338.13049	2.6
352.11600	1.8
352.19522	0.6
379.70645	0.6
428.14908	8.5
440.15088	1.3
441.11938	0.7
442.12720	2.3
443.17331	2.4
456.14590	8.1
457.15192	9.4
460.13861	2.8
472.17648	22.1
474.15564	14.3
486.15646	5.4
488.13443	14.2
500.13400	1.2
502.14938	30.5
503.15710	12.1
518.18115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26139	0.8
55.29370	0.8
64.69701	0.7
71.79628	0.7
91.54017	0.7
95.04920	0.8
181.05002	3.3
182.96400	0.9
292.09622	2.0
294.07678	1.0
294.11188	1.4
306.07776	1.4
306.11368	1.1
308.09286	3.9
319.08563	1.1
320.09180	100.0
321.09756	3.0
322.10687	2.1
323.11450	5.5
334.06906	1.5
334.10721	4.3
336.12271	7.5
337.13107	1.4
338.13934	4.0
349.09595	3.5
364.11707	6.1
381.31158	0.9
428.11176	1.6
460.13770	7.9
471.13324	0.9
472.13974	9.5
473.14816	1.2
474.15567	25.2
486.15491	14.0
488.07663	1.0
488.13583	25.5
500.12930	3.5
501.36841	1.5
502.14969	39.2
503.15747	9.0
518.17499	93.8
518.39423	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02795	0.5
75.40884	0.6
80.93582	0.7
91.07907	0.6
92.55093	0.5
95.40254	0.6
98.31944	0.6
105.07028	0.7
177.05493	1.0
181.04961	3.2
210.71887	0.6
280.09976	0.6
290.08289	1.0
292.09512	4.1
294.11179	0.9
307.08551	0.6
308.09171	2.3
318.07596	1.1
319.08395	4.5
320.09164	100.0
322.10736	3.1
323.11508	5.5
334.10623	7.7
335.11087	0.6
336.12231	9.8
338.10162	0.8
338.13959	2.6
348.08698	2.5
349.09436	3.8
350.10144	1.3
352.11697	0.9
364.11826	7.2
428.11285	1.1
443.97763	0.8
456.10446	0.9
460.13904	4.8
472.14215	4.5
474.15472	17.6
486.15433	10.6
488.13303	15.4
500.13687	0.9
502.14899	30.2
503.15463	6.1
518.18170	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91869	0.9
62.92924	0.8
75.86924	0.8
84.69605	1.0
97.46601	0.9
101.52898	1.0
101.69785	1.1
112.54204	1.0
140.47984	0.9
152.87013	0.9
156.59674	1.1
179.06596	1.0
278.08017	2.1
279.08289	1.6
280.08667	1.8
294.11176	4.6
306.07593	2.2
307.07932	5.7
308.08267	4.9
319.08286	4.0
320.09204	8.8
321.09879	1.6
322.10544	1.1
334.07208	2.9
334.10754	7.0
336.12323	4.9
337.12854	1.5
427.10751	1.4
438.09616	1.2
442.12918	3.6
452.11154	2.0
455.09857	5.4
456.14310	2.3
458.12305	17.1
467.13742	1.4
470.12335	91.8
473.14703	13.5
484.14087	1.2
485.14703	23.5
503.15131	1.2
518.17883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	0.4
65.93596	0.4
69.33884	0.5
92.21532	0.7
106.25156	0.4
150.89127	0.4
186.42699	0.6
279.08771	4.8
292.09784	0.8
294.11227	4.5
296.04871	0.5
307.08368	39.0
320.09149	5.3
322.10721	100.0
323.11429	1.1
323.63965	0.5
334.10699	3.5
336.12296	0.7
338.13907	4.0
341.08951	0.8
348.28690	0.5
356.11353	2.1
400.93088	0.5
420.14413	0.6
518.18030	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	0.4
65.93596	0.4
69.33884	0.5
92.21532	0.7
106.25156	0.4
150.89127	0.4
186.42699	0.6
279.08771	4.8
292.09784	0.8
294.11227	4.5
296.04871	0.5
307.08368	39.0
320.09149	5.3
322.10721	100.0
323.11429	1.1
323.63965	0.5
334.10699	3.5
336.12296	0.7
338.13907	4.0
341.08951	0.8
348.28690	0.5
356.11353	2.1
400.93088	0.5
420.14413	0.6
518.18030	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18143	0.4
51.48702	0.5
60.14620	0.5
64.72117	0.4
94.04545	0.5
97.40501	0.5
104.61396	0.5
137.24426	0.6
154.16542	0.4
270.74667	0.5
292.09702	1.2
318.07587	1.1
319.08173	4.7
320.09158	100.0
321.09927	1.2
322.10739	1.0
334.10699	10.7
336.12241	5.3
338.13687	0.7
349.09375	1.2
364.11771	3.0
428.11316	1.0
456.10770	0.7
460.13965	5.5
470.12369	1.0
472.14288	3.8
473.14270	0.8
474.15329	16.3
486.15497	8.5
488.13440	15.1
489.13797	0.7
502.14917	21.7
503.16031	5.5
518.18286	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46288	0.3
60.75314	0.4
74.06091	0.5
74.10075	0.4
74.64952	0.3
75.50893	0.4
85.02898	2.4
89.71478	0.4
97.02885	0.7
116.85254	0.4
121.06527	0.6
127.03868	0.5
135.04414	1.6
137.06013	1.7
147.04480	0.6
149.05972	15.6
151.07533	3.9
161.05969	1.5
167.07037	1.7
175.06267	0.7
177.05461	3.1
177.07904	0.9
178.08624	2.1
179.06999	0.5
183.52644	0.5
187.03699	0.4
188.07063	45.5
189.07837	15.0
189.09407	0.7
190.08621	8.1
192.10226	2.3
195.08066	2.5
206.08113	19.8
223.07587	0.6
235.07472	1.7
247.07494	3.9
263.07129	1.5
265.08603	0.7
267.10165	2.0
269.08099	0.8
271.78137	0.4
275.07028	11.1
277.08609	0.9
280.13260	0.7
293.07990	0.6
295.09451	1.5
297.11255	0.7
307.09747	2.3
308.12787	1.0
309.11404	0.7
313.10651	0.6
321.09717	0.5
322.10791	1.0
323.11487	5.5
325.10754	2.8
336.12540	0.7
338.13837	21.5
341.12488	0.5
356.14911	77.4
473.17471	0.5
500.19000	0.8
507.15332	0.5
516.05017	0.5
518.20215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.8
65.22991	0.4
67.40083	0.4
69.47754	0.4
91.05508	0.6
91.11527	0.5
119.04919	1.0
137.05908	1.8
149.05972	2.9
151.07532	13.4
154.12485	0.6
165.05478	3.1
175.03867	1.1
176.07043	0.7
178.08534	0.8
179.09435	1.1
180.10156	2.3
190.08621	25.8
191.09409	20.0
192.10185	0.9
195.08324	0.6
204.10297	1.1
206.11751	100.0
208.09633	5.2
223.07439	0.6
235.07394	0.8
249.09088	1.3
253.08569	0.7
265.08472	1.2
269.07922	0.8
277.08591	4.6
297.10892	0.9
307.09497	0.9
325.10629	2.1
338.10104	1.6
338.13870	5.6
356.10480	0.9
356.11719	1.5
356.14804	38.0
356.18628	20.8
518.20209	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81062	0.5
58.06609	0.6
65.50401	0.5
68.31080	0.7
74.99941	0.5
81.88703	0.5
112.33641	0.5
118.62331	0.6
134.71863	0.5
137.05949	0.7
148.66661	0.6
149.05978	5.3
151.07524	2.3
166.28598	0.5
167.07013	1.4
177.05461	1.0
188.07060	24.8
189.07788	6.9
189.22762	0.6
190.08653	3.2
191.66701	0.8
192.10251	1.4
195.08022	0.8
204.10257	2.5
206.08113	6.4
206.11758	100.0
247.07472	3.1
264.19620	0.7
265.08636	0.7
275.07031	6.3
297.11356	0.6
307.09647	1.4
308.12701	1.0
323.11493	0.8
325.10620	0.7
336.12112	0.8
338.13913	9.8
356.14777	35.3
356.18588	46.9
387.49741	0.7
465.22632	0.6
518.20459	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68452	0.5
58.06589	0.7
65.48375	0.5
67.66418	0.5
69.03412	0.8
75.00675	0.6
81.50102	0.6
82.27478	0.5
85.02891	1.5
86.45763	0.6
93.04944	0.6
94.87535	0.7
121.20940	0.6
125.05679	0.6
135.04337	0.7
137.05864	1.1
149.05980	12.2
151.07477	3.7
167.06982	3.4
177.05392	2.9
178.08539	1.4
188.07066	39.0
189.07831	11.2
190.08675	5.7
192.10226	1.0
195.08037	0.8
200.44304	0.8
202.53578	0.7
206.08180	16.3
206.11754	42.7
247.07394	3.2
251.21100	0.7
261.12125	0.6
267.10095	1.2
275.07010	10.1
277.08530	0.8
293.07959	0.7
295.09439	0.9
297.11093	1.2
307.09436	1.6
308.08963	0.7
308.12595	1.0
322.10699	1.3
323.11356	4.1
325.10599	1.0
338.10052	1.0
338.13873	25.1
341.12378	2.6
347.00787	0.7
356.14871	44.5
356.18619	8.5
467.28009	0.8
471.68518	0.9
497.10400	0.8
518.19849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94260	0.6
82.99078	0.9
85.02916	1.1
99.80521	0.8
118.65316	0.8
137.05995	0.9
147.04410	1.1
149.02383	3.0
149.05991	14.5
151.07552	4.5
162.05496	1.7
167.07085	1.5
175.03955	3.0
175.17451	0.9
177.05476	4.7
178.08574	1.6
188.07066	44.1
189.07835	14.0
189.09348	0.8
190.08644	6.6
195.08035	1.3
199.04909	0.7
204.06697	1.0
206.08119	18.6
207.06609	5.0
235.07501	1.2
247.07555	3.5
259.65021	0.9
264.06528	9.9
268.05966	1.0
271.50485	0.9
275.06985	14.2
285.11502	1.0
294.07449	1.2
308.12842	1.1
310.07108	1.1
323.11658	1.7
325.10770	1.6
338.06613	15.8
338.13782	22.4
356.07794	21.1
356.14856	41.4
391.87643	0.8
507.84277	1.0
518.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34154	0.4
83.03373	0.4
83.21638	0.4
92.25091	0.4
120.39080	0.5
137.05838	0.5
149.05916	0.9
161.05930	0.9
162.09053	0.4
176.06937	0.5
177.05309	0.6
188.07037	3.5
189.07741	1.0
190.08528	2.1
192.10097	1.8
206.08151	4.2
250.83217	0.5
280.13181	2.3
289.08356	0.6
308.12717	1.9
310.14728	0.5
322.10486	1.6
323.11447	8.2
336.12100	0.7
338.09970	0.7
338.13843	15.0
341.12589	0.8
356.14896	100.0
518.20282	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	0.4
77.10781	0.4
77.90758	0.5
85.02924	1.0
133.44507	0.4
135.04402	0.5
136.10443	0.5
137.06062	0.5
149.05986	9.2
151.07536	4.1
167.07074	5.2
177.05492	1.9
178.08664	2.5
188.07059	44.8
189.07848	15.8
190.08614	4.5
192.10187	4.6
195.08150	1.9
206.08127	11.3
206.09886	0.7
216.07510	0.5
220.09750	2.0
223.07610	0.8
235.07576	0.5
247.07571	6.0
265.08664	0.4
267.10141	1.0
269.08191	0.7
275.07025	9.0
277.08807	0.6
279.10547	0.5
295.09714	2.3
297.11270	1.7
307.09503	3.2
308.12857	0.7
322.10852	0.7
323.11691	2.6
325.10791	3.1
336.12381	0.9
338.06793	0.6
338.13855	18.2
356.14905	73.6
367.02884	0.5
395.54456	0.4
400.12408	0.6
401.50284	0.4
414.13361	0.6
428.11304	3.1
442.12735	4.0
472.13904	11.8
518.14301	9.8
518.20410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	0.4
77.10781	0.4
77.90758	0.5
85.02924	1.0
133.44507	0.4
135.04402	0.5
136.10443	0.5
137.06062	0.5
149.05986	9.2
151.07536	4.1
167.07074	5.2
177.05492	1.9
178.08664	2.5
188.07059	44.8
189.07848	15.8
190.08614	4.5
192.10187	4.6
195.08150	1.9
206.08127	11.3
206.09886	0.7
216.07510	0.5
220.09750	2.0
223.07610	0.8
235.07576	0.5
247.07571	6.0
265.08664	0.4
267.10141	1.0
269.08191	0.7
275.07025	9.0
277.08807	0.6
279.10547	0.5
295.09714	2.3
297.11270	1.7
307.09503	3.2
308.12857	0.7
322.10852	0.7
323.11691	2.6
325.10791	3.1
336.12381	0.9
338.06793	0.6
338.13855	18.2
356.14905	73.6
367.02884	0.5
395.54456	0.4
400.12408	0.6
401.50284	0.4
414.13361	0.6
428.11304	3.1
442.12735	4.0
472.13904	11.8
518.14301	9.8
518.20410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20243	0.6
69.03431	0.6
71.93988	0.6
118.79565	0.6
121.01021	0.7
128.77434	0.7
135.04362	0.9
149.05972	9.1
151.07553	3.0
167.07030	4.4
177.05544	2.0
178.08667	2.9
185.29865	0.6
188.07062	40.8
189.07857	12.6
190.08659	4.8
192.10190	1.5
195.08136	0.9
204.10258	1.2
206.08409	9.5
206.11754	100.0
235.07454	0.8
247.07550	4.2
249.09105	0.9
255.10248	0.8
267.10077	1.2
275.07068	8.2
277.08612	0.9
277.71167	0.8
295.06433	0.7
295.09564	1.1
296.54623	0.6
297.11102	1.4
307.09576	2.7
323.11234	0.8
325.10669	1.3
338.13840	16.8
351.34567	0.8
356.14801	63.9
356.18616	48.1
492.22623	1.0
518.20343	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.4
70.05238	0.3
79.39531	0.4
81.03405	0.4
85.02909	0.9
107.04754	0.3
110.20682	0.3
134.84872	0.4
135.04384	0.7
137.05934	0.7
149.04884	0.4
149.05974	8.8
151.07539	3.9
167.07048	4.5
176.07040	0.5
177.05406	2.7
178.08583	3.5
179.06990	0.4
188.07062	43.1
189.07840	13.9
190.08667	4.2
192.10139	1.2
195.08044	1.4
204.06577	0.4
206.08124	13.2
206.11635	0.6
223.07471	1.4
227.10547	0.7
235.07449	0.7
237.09111	0.4
247.07547	6.0
255.10083	0.8
265.08630	0.5
267.10260	1.6
269.08038	1.2
275.07016	9.9
277.08636	0.4
279.10135	0.5
280.13367	0.6
293.08075	0.5
295.09595	1.3
297.11206	1.7
307.09579	3.8
308.09506	0.4
308.12860	1.8
309.11371	0.6
313.10764	0.6
322.10623	1.5
323.11703	2.3
325.10693	2.9
336.12305	1.4
338.09897	0.7
338.13864	17.5
338.17941	0.7
342.86511	0.4
356.14920	74.6
518.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17150	0.4
57.03603	0.4
58.06610	0.7
59.74645	0.4
69.42708	0.5
97.02946	0.5
103.04023	0.5
105.04451	0.5
111.86157	0.5
135.04424	1.1
137.06010	0.7
147.04446	0.8
149.06012	9.8
151.07552	3.6
167.07076	4.5
177.05463	2.8
177.07840	0.8
178.08688	2.8
179.07108	0.7
188.07063	45.7
189.07846	13.8
189.09418	0.7
190.08669	3.0
192.10243	1.1
206.08115	12.1
206.09863	0.6
223.07658	0.9
241.24100	0.6
244.65497	0.6
247.07478	7.1
255.10199	1.2
265.08640	0.8
267.10370	0.9
275.07010	10.8
277.08646	0.8
280.13278	0.8
295.09811	2.1
297.11414	2.3
307.09695	3.9
308.12747	2.1
313.10840	0.6
322.10907	2.0
323.11420	2.0
325.10910	3.1
336.12421	0.9
338.13834	16.9
341.08969	1.2
356.11328	2.9
356.14938	70.8
358.49042	0.5
413.09793	0.6
436.72778	0.7
518.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17150	0.4
57.03603	0.4
58.06610	0.7
59.74645	0.4
69.42708	0.5
97.02946	0.5
103.04023	0.5
105.04451	0.5
111.86157	0.5
135.04424	1.1
137.06010	0.7
147.04446	0.8
149.06012	9.8
151.07552	3.6
167.07076	4.5
177.05463	2.8
177.07840	0.8
178.08688	2.8
179.07108	0.7
188.07063	45.7
189.07846	13.8
189.09418	0.7
190.08669	3.0
192.10243	1.1
206.08115	12.1
206.09863	0.6
223.07658	0.9
241.24100	0.6
244.65497	0.6
247.07478	7.1
255.10199	1.2
265.08640	0.8
267.10370	0.9
275.07010	10.8
277.08646	0.8
280.13278	0.8
295.09811	2.1
297.11414	2.3
307.09695	3.9
308.12747	2.1
313.10840	0.6
322.10907	2.0
323.11420	2.0
325.10910	3.1
336.12421	0.9
338.13834	16.9
341.08969	1.2
356.11328	2.9
356.14938	70.8
358.49042	0.5
413.09793	0.6
436.72778	0.7
518.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85826	1.3
82.06573	6.8
83.04975	3.3
85.02905	1.9
85.49449	1.5
86.09641	1.7
110.06041	7.1
114.11883	1.4
132.86238	1.5
145.02844	13.1
149.01202	1.7
149.02246	11.2
149.05946	7.3
151.07544	31.6
162.05486	20.7
165.05478	3.7
175.03940	3.4
176.07051	1.7
177.05449	15.5
178.08626	7.1
179.59229	1.5
180.10179	8.0
188.07167	2.0
190.07037	2.7
190.08643	48.7
191.09412	36.9
192.10217	2.5
206.08107	3.4
208.09659	10.4
220.06042	11.2
249.09135	3.0
264.06552	52.1
265.08362	1.7
268.05991	9.4
269.08200	1.6
275.03821	1.5
275.06891	2.3
277.08530	8.8
282.07663	2.3
294.07620	8.6
295.06012	8.8
306.11194	2.3
307.05927	5.7
307.09631	3.0
310.06989	9.1
323.08276	1.7
325.10471	3.8
338.06573	79.4
338.10141	7.4
338.13803	11.7
356.07654	98.8
356.11252	13.1
356.14859	81.5
479.30252	1.7
518.20935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30725	0.8
58.06605	1.3
81.01434	0.9
81.03412	1.1
99.04448	2.2
119.05034	1.1
121.29401	1.0
127.03882	1.0
137.05983	1.4
142.36650	1.0
149.05975	6.1
151.07581	1.8
155.83971	1.1
167.07002	1.7
175.03999	1.2
177.05449	4.7
187.06004	1.1
188.07065	33.0
189.07872	9.8
190.08612	2.6
202.04874	1.0
204.06580	1.1
206.08398	9.6
206.11775	100.0
247.07578	4.5
248.22868	1.0
275.07123	7.9
277.08389	1.2
307.09506	2.0
308.05600	1.3
320.08984	2.3
323.07870	4.0
323.11520	1.5
325.10693	1.6
326.06537	2.3
338.06693	1.4
338.10324	2.5
338.13864	12.8
341.08972	20.3
356.07211	2.4
356.11194	23.3
356.14847	48.3
356.18610	52.8
474.34811	1.1
518.19928	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92645	0.4
58.06606	0.4
58.12570	0.4
63.40664	0.4
70.06596	0.6
85.02905	2.8
85.91519	0.4
86.09726	0.4
87.04485	0.4
94.82775	0.4
97.02929	0.6
97.06022	0.4
103.09177	0.4
109.02902	0.5
121.06558	0.6
135.04431	0.9
137.05997	1.0
146.33342	0.5
147.04504	0.5
149.05984	15.0
151.07530	4.2
161.05998	0.5
161.68745	0.4
167.07082	3.1
175.03862	0.7
177.05502	2.8
177.07932	0.6
177.48012	0.5
178.08656	2.9
188.07066	45.3
189.07858	17.6
190.08649	7.0
192.10152	0.7
193.04965	2.6
195.08105	1.7
206.08124	18.2
207.06543	1.1
223.07672	1.0
231.97191	0.4
235.07712	0.7
247.07513	3.9
263.07129	0.7
265.08551	0.6
267.10156	2.3
269.07764	0.6
275.07043	11.6
285.11444	0.4
293.08145	0.7
295.09790	2.3
297.11298	2.0
307.09586	2.4
308.12885	0.7
322.10886	1.5
323.11600	3.4
325.10840	2.7
338.06937	0.7
338.10327	0.9
338.13828	18.5
356.07681	1.5
356.14935	42.3
500.18512	1.1
518.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37373	0.3
69.03399	0.6
70.06547	0.6
79.51991	0.4
85.02866	1.5
97.02875	0.6
98.24005	0.4
99.04468	0.5
106.65287	0.4
135.04367	0.6
137.05954	1.6
138.75931	0.4
149.05984	9.0
151.07559	3.5
167.07019	4.3
177.04047	0.4
177.05391	2.9
178.08621	4.1
185.41093	0.4
188.07056	42.9
189.07843	16.6
190.08585	4.1
192.10181	0.9
195.08003	1.5
198.93709	0.4
204.06422	0.6
206.08138	11.3
223.07700	0.5
227.10539	0.5
235.07626	0.5
247.07487	6.7
255.09996	0.9
265.08264	0.5
275.07010	10.6
279.10046	0.6
280.13330	0.8
285.11252	0.6
293.07971	0.5
295.09683	2.0
297.11139	2.2
307.09683	3.8
308.12830	1.6
309.11026	1.0
313.10757	0.9
320.09055	0.6
320.44403	0.4
322.10788	0.7
323.07956	0.8
323.11484	2.4
325.10651	3.3
336.12320	0.6
338.10150	1.4
338.13788	17.1
356.14914	78.1
452.90350	0.4
518.20203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.2
57.03442	2.0
61.02926	3.1
67.05513	2.3
68.42853	1.5
69.03434	100.0
71.01353	2.2
71.04987	10.1
73.02908	6.9
83.04987	47.4
85.02908	56.8
87.04482	3.3
97.02897	11.3
111.04443	48.2
115.03922	2.7
120.08115	8.2
120.29131	1.8
127.03893	1.9
129.05478	78.5
147.04404	7.3
166.08563	2.1
171.06516	42.8
189.07576	83.7
201.94441	2.2
207.06442	2.2
211.38945	2.1
321.11694	10.1
351.12848	7.0
443.03238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02295	0.4
115.58619	0.4
133.72331	0.4
149.06337	0.5
184.01036	0.4
277.10986	0.5
280.09952	0.5
294.11243	10.2
303.22903	0.4
306.11237	1.8
308.09076	6.1
320.09152	0.9
322.10693	14.3
323.11499	33.1
334.10843	0.5
338.13831	100.0
373.18060	0.4
442.12811	0.9
518.15503	0.6
518.21375	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02295	0.4
115.58619	0.4
133.72331	0.4
149.06337	0.5
184.01036	0.4
277.10986	0.5
280.09952	0.5
294.11243	10.2
303.22903	0.4
306.11237	1.8
308.09076	6.1
320.09152	0.9
322.10693	14.3
323.11499	33.1
334.10843	0.5
338.13831	100.0
373.18060	0.4
442.12811	0.9
518.15503	0.6
518.21375	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51595	0.5
102.84663	0.5
222.99969	0.5
241.22595	0.4
261.15356	0.6
286.07489	0.5
292.09634	3.0
320.09174	100.0
322.10477	0.5
331.81326	0.5
336.12271	1.0
474.15720	0.7
488.13654	0.8
500.20682	0.5
502.15454	2.3
518.22095	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64014	0.3
63.67524	0.2
68.01264	0.2
68.66039	0.2
76.83280	0.2
79.05417	0.2
82.28697	0.2
82.70644	0.3
83.98899	0.2
96.95213	0.3
113.21457	0.3
119.08673	0.3
120.01193	0.2
121.10123	0.3
123.96235	0.3
124.51501	0.3
171.59770	0.3
230.67995	0.3
279.08600	0.6
280.08990	0.5
292.09607	0.4
293.10818	0.3
294.11237	11.8
306.08044	0.4
306.11276	2.5
307.07840	0.6
308.09137	6.5
316.18268	0.3
320.09274	0.4
321.09964	0.4
322.10703	14.3
323.11502	34.8
324.11826	1.0
336.12192	2.1
337.12796	0.3
338.13843	100.0
339.14148	2.9
518.17462	1.5
518.22540	0.7
530.75696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64014	0.3
63.67524	0.2
68.01264	0.2
68.66039	0.2
76.83280	0.2
79.05417	0.2
82.28697	0.2
82.70644	0.3
83.98899	0.2
96.95213	0.3
113.21457	0.3
119.08673	0.3
120.01193	0.2
121.10123	0.3
123.96235	0.3
124.51501	0.3
171.59770	0.3
230.67995	0.3
279.08600	0.6
280.08990	0.5
292.09607	0.4
293.10818	0.3
294.11237	11.8
306.08044	0.4
306.11276	2.5
307.07840	0.6
308.09137	6.5
316.18268	0.3
320.09274	0.4
321.09964	0.4
322.10703	14.3
323.11502	34.8
324.11826	1.0
336.12192	2.1
337.12796	0.3
338.13843	100.0
339.14148	2.9
518.17462	1.5
518.22540	0.7
530.75696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48518	0.4
57.12957	0.3
60.50612	0.3
73.99169	0.4
99.04465	0.6
112.22642	0.5
117.16121	0.5
151.60068	0.5
176.07062	0.7
193.35663	0.5
225.42828	0.5
279.08978	0.7
294.07922	0.6
294.11240	14.1
306.11285	2.4
308.09143	6.4
319.08170	0.5
320.09201	2.3
321.09857	0.6
322.10757	15.1
323.11530	36.1
324.11865	2.9
334.10904	0.7
336.12405	3.2
337.12903	0.6
338.13870	100.0
339.14117	6.1
340.07983	0.5
341.08307	0.6
356.10272	1.0
518.17426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48518	0.4
57.12957	0.3
60.50612	0.3
73.99169	0.4
99.04465	0.6
112.22642	0.5
117.16121	0.5
151.60068	0.5
176.07062	0.7
193.35663	0.5
225.42828	0.5
279.08978	0.7
294.07922	0.6
294.11240	14.1
306.11285	2.4
308.09143	6.4
319.08170	0.5
320.09201	2.3
321.09857	0.6
322.10757	15.1
323.11530	36.1
324.11865	2.9
334.10904	0.7
336.12405	3.2
337.12903	0.6
338.13870	100.0
339.14117	6.1
340.07983	0.5
341.08307	0.6
356.10272	1.0
518.17426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97065	0.3
69.29879	0.3
81.07069	0.3
90.48854	0.3
95.08650	0.3
103.02682	0.3
105.06992	0.4
107.08636	0.4
107.54181	0.3
109.10152	0.5
118.27840	0.3
119.08543	0.3
120.30529	0.3
130.93967	0.3
133.10115	0.3
136.06276	0.3
147.11763	0.3
161.13184	0.3
213.20041	0.3
255.21043	0.3
267.21097	0.4
279.31174	0.3
285.22116	1.9
294.07944	0.4
294.11237	11.3
303.23166	2.6
306.11221	1.6
308.09152	5.2
320.09210	0.6
321.09726	0.6
321.24390	0.4
322.10742	14.0
323.11502	33.0
336.12405	2.0
338.13849	100.0
339.25281	2.0
350.38663	0.3
418.89386	0.3
518.18622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43885	0.4
52.30210	0.4
53.03936	0.5
55.36589	0.5
58.06602	0.4
61.70371	0.4
69.03441	0.6
70.06582	3.0
81.03411	0.7
85.02903	2.3
90.05569	2.2
92.46965	0.5
93.05489	1.0
96.23752	0.5
97.02866	0.7
99.03815	1.1
99.04453	25.6
103.05466	2.9
105.07055	0.5
117.05492	3.1
120.08100	100.0
127.03938	0.5
131.04909	3.0
145.04926	0.7
147.04431	0.8
149.05954	2.2
166.08624	43.8
202.86359	0.5
208.09552	0.5
255.10869	0.6
261.09702	3.8
269.17960	0.6
282.58414	0.5
335.13190	1.1
401.61002	0.5
518.23535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04327	0.6
55.88302	0.8
63.62730	0.7
66.74188	0.7
88.82043	0.7
134.15106	0.7
149.06020	3.6
151.07593	1.0
177.05626	1.1
178.08586	0.9
188.07088	12.7
189.07831	4.5
192.10220	1.2
204.10255	3.3
206.08147	3.5
206.11768	100.0
247.07625	1.7
275.07025	1.9
320.09207	7.5
338.13959	5.8
355.55508	0.8
356.11105	2.0
356.14798	18.0
356.18573	53.4
372.65439	0.9
372.70950	0.9
518.23456	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
79.14009	0.5
96.05866	0.6
114.94542	0.5
133.50641	0.6
149.05998	2.9
177.05408	0.7
178.08565	0.9
187.70883	0.6
188.07051	10.0
189.07870	2.8
190.08649	2.5
192.10223	0.7
204.10190	2.8
206.08055	3.0
206.11763	100.0
247.07520	1.0
275.07071	1.2
307.09271	1.0
322.10455	0.6
338.13800	3.7
356.14740	12.7
356.18570	50.9
518.24530	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51551	0.2
53.18367	0.3
53.74100	0.2
55.08599	0.3
58.39986	0.4
59.16659	0.3
73.66162	0.3
78.40753	0.3
103.18581	0.3
135.04317	0.4
149.05930	0.8
151.07521	0.5
165.09114	0.6
188.07048	2.4
189.07835	1.5
190.08693	0.6
191.09279	0.4
192.10133	0.6
204.10185	2.8
206.11761	100.0
247.07504	0.6
275.07086	0.6
338.13879	1.2
345.94830	0.4
356.14838	5.0
356.18588	51.7
428.11621	0.5
472.14124	0.7
518.24164	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30473	0.3
57.55296	0.3
60.67337	0.3
69.03479	0.3
79.65916	0.3
112.23851	0.4
119.04870	0.4
137.05855	0.4
149.05974	2.0
151.07545	7.5
165.05470	1.8
175.03937	0.7
175.67793	0.4
178.08684	0.4
179.09367	0.6
180.10136	0.6
180.88707	0.3
190.08629	12.4
191.09401	10.6
192.10246	0.7
204.10144	1.7
206.11757	100.0
208.09767	1.2
211.49866	0.3
225.09053	0.5
235.07523	0.5
249.09102	0.6
256.77704	0.3
256.87814	0.4
263.42465	0.3
265.08414	0.4
273.71939	0.3
277.08524	2.5
289.71539	0.3
297.11218	0.4
307.09570	0.5
325.10562	0.8
338.13785	2.3
356.14780	16.6
356.18579	24.0
412.02017	0.3
518.23474	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39176	0.9
57.92221	0.7
61.62580	0.7
64.07948	0.7
80.65580	0.7
86.29387	0.8
114.18485	0.9
149.06017	1.9
151.07526	1.3
153.98624	0.8
157.10626	0.8
167.07088	1.6
175.49059	0.9
188.07056	11.4
189.07837	5.8
204.10152	1.2
206.11766	100.0
210.33269	0.8
247.07387	1.5
275.06949	1.9
294.11624	0.9
294.16370	0.9
305.32974	1.0
307.08313	6.1
320.09134	0.9
322.10718	14.8
336.12411	1.5
338.13779	8.7
356.14774	18.1
356.18591	50.5
392.19666	1.0
397.00247	0.8
518.23517	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50557	0.5
72.80015	0.7
90.51266	0.6
96.71114	0.6
101.46628	0.6
118.67056	0.7
138.13631	0.6
138.77451	0.8
146.80280	0.6
149.05994	2.6
151.07597	0.7
159.71538	0.6
165.78416	0.7
167.07066	0.7
188.07034	7.4
189.07870	2.8
204.10106	1.4
206.11757	100.0
247.07501	0.9
275.07043	1.4
307.08521	3.7
320.09140	7.6
322.10742	16.2
338.13806	4.4
356.14725	10.8
356.18555	51.8
518.24670	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99609	0.3
77.12178	0.3
78.05835	0.3
78.11862	0.4
98.56863	0.3
104.56958	0.3
138.04111	0.3
149.05940	0.6
151.07503	0.6
188.07097	2.4
189.07718	0.4
190.08633	0.5
191.09421	0.7
192.10210	0.5
204.10205	3.2
205.10912	0.7
206.11765	100.0
275.06882	0.5
325.14429	0.5
338.13858	0.6
356.14856	4.1
356.18585	54.7
367.44958	0.4
420.14673	0.8
472.14117	0.8
518.24091	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06547	0.2
60.88557	0.3
65.46549	0.3
74.30030	0.3
81.42570	0.3
84.65653	0.3
85.22237	0.3
121.81835	0.3
178.05022	0.3
188.06996	0.5
204.10088	1.3
206.11758	43.0
260.45297	0.3
310.07053	0.4
312.08548	0.7
323.07898	2.9
326.06558	21.3
338.06519	0.5
340.08102	0.5
341.08926	92.1
356.11282	100.0
356.18143	21.8
499.39273	0.3
518.16705	24.7
518.24048	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36703	0.5
55.98612	0.5
63.39018	0.6
81.24529	0.7
87.72506	0.6
96.48080	0.5
115.36161	0.6
147.74756	0.6
149.06012	1.1
163.94980	0.6
167.07071	0.9
188.07042	10.8
189.07820	4.5
204.10214	2.6
206.08109	3.2
206.11757	100.0
275.07095	2.7
338.13858	4.5
356.14764	13.5
356.18564	48.0
518.24652	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06547	0.2
60.88557	0.3
65.46549	0.3
74.30030	0.3
81.42570	0.3
84.65653	0.3
85.22237	0.3
121.81835	0.3
178.05022	0.3
188.06996	0.5
204.10088	1.3
206.11758	43.0
260.45297	0.3
310.07053	0.4
312.08548	0.7
323.07898	2.9
326.06558	21.3
338.06519	0.5
340.08102	0.5
341.08926	92.1
356.11282	100.0
356.18143	21.8
499.39273	0.3
518.16705	24.7
518.24048	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30473	0.3
57.55296	0.3
60.67337	0.3
69.03479	0.3
79.65916	0.3
112.23851	0.4
119.04870	0.4
137.05855	0.4
149.05974	2.0
151.07545	7.5
165.05470	1.8
175.03937	0.7
175.67793	0.4
178.08684	0.4
179.09367	0.6
180.10136	0.6
180.88707	0.3
190.08629	12.4
191.09401	10.6
192.10246	0.7
204.10144	1.7
206.11757	100.0
208.09767	1.2
211.49866	0.3
225.09053	0.5
235.07523	0.5
249.09102	0.6
256.77704	0.3
256.87814	0.4
263.42465	0.3
265.08414	0.4
273.71939	0.3
277.08524	2.5
289.71539	0.3
297.11218	0.4
307.09570	0.5
325.10562	0.8
338.13785	2.3
356.14780	16.6
356.18579	24.0
412.02017	0.3
518.23474	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37614	0.3
71.46053	0.3
79.86481	0.4
86.06052	1.9
88.42567	0.4
130.84981	0.4
178.52167	0.4
190.04965	0.5
218.88487	0.4
276.06342	0.5
290.08026	5.1
292.06021	1.6
292.09805	1.5
302.08167	1.8
304.06012	5.0
308.08972	0.6
318.07553	7.3
319.08362	34.4
320.09149	33.8
322.10696	0.7
323.11099	0.8
334.10709	100.0
335.11035	0.6
336.12360	0.6
338.06546	5.0
373.00327	0.4
376.74631	0.4
434.62024	0.4
472.63263	0.4
473.51868	0.4
474.14917	0.6
502.14536	0.5
518.26257	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61990	0.5
58.40501	0.5
65.65156	0.4
71.48043	0.4
79.02077	0.5
87.04454	0.5
116.74876	0.5
144.06552	0.5
151.03720	0.5
166.67487	0.5
187.74113	0.6
281.88889	0.6
320.09103	2.2
321.09955	2.4
329.10526	2.0
330.11292	2.4
334.10657	4.3
344.12982	2.0
346.10715	6.9
360.12302	24.4
374.13803	6.5
388.15646	1.0
460.21475	1.0
474.22736	9.0
486.22922	3.8
488.20636	14.5
500.32138	1.1
502.22238	11.2
503.23428	4.2
503.29846	0.6
518.25397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	8.6
58.06619	2.2
67.05518	4.9
69.01067	2.0
69.07060	4.4
72.65115	1.8
79.05484	2.0
81.07055	11.8
81.37355	1.9
83.08595	2.3
86.09717	26.3
90.82496	1.9
93.07037	2.5
95.08592	8.0
102.53112	1.9
104.10744	100.0
109.10137	2.9
121.10143	4.4
139.11151	3.9
146.97429	1.8
146.98187	27.4
173.43010	2.2
229.14331	40.2
238.10606	3.2
239.10811	2.4
313.27386	12.9
320.09140	3.1
333.09778	2.8
459.24680	27.4
518.24982	35.1
518.32098	75.5
518.40552	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.6
57.07081	22.6
57.19586	1.2
60.94806	1.1
67.05503	2.8
69.07066	2.5
71.07372	6.9
71.08636	19.1
79.51263	1.1
81.07061	7.4
83.08619	6.9
85.10176	10.5
86.09711	38.7
95.08612	14.3
97.10170	6.0
107.08613	1.5
109.06616	1.3
109.10176	6.2
121.53716	1.3
123.11764	2.0
125.09521	1.4
146.98177	63.0
164.07156	1.7
184.14389	1.3
236.57629	1.2
239.23602	1.5
257.24863	1.7
259.74161	1.3
281.00372	1.4
313.27377	25.7
320.08984	1.4
336.12405	4.8
337.13217	2.2
459.24957	34.6
518.32208	100.0
518.40558	4.6
518.82129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02121	0.7
53.85586	0.6
58.06614	0.9
60.08170	12.7
63.17769	0.7
64.55405	0.6
67.05499	1.4
69.07081	0.8
71.07384	1.7
74.23031	0.7
79.05489	0.9
81.07066	4.3
86.09704	39.1
89.18340	0.9
93.07044	1.8
95.08617	1.3
102.30180	0.7
104.10745	75.6
110.07025	0.7
124.99986	16.3
163.01497	0.9
163.76285	0.7
175.73793	0.8
184.07332	100.0
226.66006	0.7
245.73441	0.8
294.15887	0.8
320.09171	1.0
334.10785	1.2
336.11530	0.8
500.31342	4.4
518.26147	2.5
518.32410	56.1
518.39105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	6.3
67.05465	0.4
71.07348	0.9
71.23744	0.3
78.23254	0.3
81.07034	0.4
86.09708	24.1
98.98463	0.6
102.48967	0.3
104.10742	3.8
119.05598	0.4
124.99992	13.5
128.02943	0.4
184.07332	100.0
207.78487	0.4
334.10608	0.5
388.13776	0.4
390.13443	1.6
418.12585	0.5
473.54004	0.5
500.31317	1.5
518.21350	1.5
518.32397	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16711	1.0
52.62000	0.9
52.86879	1.1
55.64528	1.2
56.33491	1.1
60.08174	12.8
67.05499	2.3
71.07381	2.3
71.79517	1.2
81.07044	1.6
82.19274	1.1
86.09705	35.6
91.05470	1.7
93.07042	1.8
95.08616	2.2
95.24194	1.2
97.40753	1.2
104.10744	69.9
107.90759	1.2
109.10153	2.0
125.00007	16.3
133.10042	1.2
136.38722	1.1
184.07335	100.0
219.32593	1.2
235.46143	1.2
320.08948	1.7
334.10849	1.7
427.22275	1.5
500.31357	7.2
518.24951	8.1
518.32220	48.9
518.40198	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99173	1.8
67.05519	2.1
68.27091	1.7
68.92815	1.8
69.03438	3.3
69.07053	3.1
81.07063	13.1
83.05013	2.1
83.41985	1.9
85.02906	26.9
93.07044	4.2
95.08613	26.9
97.02900	4.2
99.04517	2.2
105.07038	8.9
107.08590	17.5
109.10147	22.4
114.09154	3.0
119.08586	14.8
121.10117	19.5
123.11704	10.2
125.09624	2.4
127.03936	2.7
133.10101	21.2
135.11707	16.3
143.08513	2.7
145.10121	11.0
147.04466	2.4
147.11699	14.7
149.13240	14.4
151.11186	3.4
151.96440	2.3
159.11673	16.5
161.13217	8.6
163.11180	9.2
163.14790	3.2
169.10164	2.6
171.11710	9.4
173.13237	9.5
175.14769	2.7
177.12804	14.7
183.11597	2.7
185.13232	4.5
187.14819	12.4
189.12743	2.8
191.14357	9.7
199.14813	4.1
201.12730	3.4
201.16405	10.1
203.14317	3.2
207.06815	2.1
211.14848	2.4
215.17982	2.1
225.16368	2.8
227.17880	8.2
229.15819	4.5
239.17992	2.7
245.18967	3.5
255.21082	5.2
257.22699	16.7
267.21024	17.7
273.22067	9.3
285.22122	98.9
291.88019	2.2
303.23172	100.0
321.24515	17.2
336.12329	3.5
339.25284	43.6
518.17133	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44952	0.8
55.05523	2.7
55.89281	1.0
67.05504	2.1
69.03447	1.2
69.07078	1.4
73.08055	1.0
79.05502	1.7
81.07066	8.6
83.08641	1.1
85.02889	4.7
89.66476	0.9
91.05481	1.9
93.07031	6.8
95.08591	8.4
97.02856	1.3
97.10174	1.5
105.07038	11.5
105.71448	1.0
107.05062	1.0
107.08588	10.5
109.06405	1.3
109.10154	14.2
119.08574	13.4
121.10143	13.7
123.11683	4.3
131.08595	5.9
133.10120	14.0
135.11681	10.8
136.76430	1.0
143.08549	1.7
145.10114	9.4
147.11681	11.5
149.13275	5.1
151.11191	2.2
157.10115	2.4
159.11674	7.4
161.13249	6.3
169.10098	1.1
171.11644	8.7
173.13234	8.6
175.14819	2.0
177.12820	1.6
183.11650	4.6
185.13257	5.9
187.14819	8.2
197.13278	5.9
199.14841	2.3
201.12730	2.2
201.16370	4.7
203.14326	1.6
205.15802	2.0
211.14818	6.8
225.16449	1.4
227.17934	1.4
229.15866	7.4
229.19554	1.2
243.17134	1.5
255.21162	1.4
257.22626	1.6
267.21063	16.7
285.22141	33.5
292.09695	2.4
303.23181	50.8
318.07608	2.6
319.08295	11.2
320.09158	100.0
321.09827	2.0
321.24231	4.5
334.10782	21.2
336.12207	5.3
337.12460	1.6
465.28394	1.3
502.14716	2.4
518.22156	52.8
518.33044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27120	0.4
54.59428	0.4
62.86066	0.4
66.87192	0.4
68.16609	0.4
81.07059	0.7
95.08632	0.8
99.04498	0.6
105.06979	0.7
111.94295	0.5
112.05123	0.5
121.06455	0.5
126.69370	0.5
158.03645	0.4
180.90013	0.5
196.53987	0.5
233.17885	0.5
306.07434	0.6
306.23895	0.6
307.18802	0.5
322.81204	0.6
334.10733	0.8
336.12289	2.2
348.12265	1.0
358.27448	0.6
364.08206	0.9
368.26093	3.7
386.27026	5.1
397.66193	0.6
429.23380	0.6
472.34418	3.4
482.32672	29.3
500.33694	91.3
518.23547	3.3
518.34741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3473
Annotation	Holarosine B
Peak:m/z	Relative Intensity
50.27120	0.4
54.59428	0.4
62.86066	0.4
66.87192	0.4
68.16609	0.4
81.07059	0.7
95.08632	0.8
99.04498	0.6
105.06979	0.7
111.94295	0.5
112.05123	0.5
121.06455	0.5
126.69370	0.5
158.03645	0.4
180.90013	0.5
196.53987	0.5
233.17885	0.5
306.07434	0.6
306.23895	0.6
307.18802	0.5
322.81204	0.6
334.10733	0.8
336.12289	2.2
348.12265	1.0
358.27448	0.6
364.08206	0.9
368.26093	3.7
386.27026	5.1
397.66193	0.6
429.23380	0.6
472.34418	3.4
482.32672	29.3
500.33694	91.3
518.23547	3.3
518.34741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.3
65.50313	8.4
65.85327	7.2
67.05504	53.1
67.90760	7.6
69.03432	19.6
69.07055	53.7
71.08627	9.8
81.03428	67.6
81.07062	74.1
83.08619	42.2
85.02907	38.9
85.06564	17.5
85.22162	8.6
91.05465	8.4
95.08598	58.6
97.02894	39.5
97.10175	36.5
104.10764	12.0
105.07028	12.5
107.08565	9.9
109.02867	45.2
109.10161	40.5
109.58804	9.9
111.08118	7.7
119.08572	8.7
121.10120	41.0
123.11643	11.6
127.03907	36.4
133.10150	10.5
135.11700	16.4
137.13390	11.1
149.13266	14.6
150.52126	8.8
210.10991	49.0
211.11360	14.1
237.22238	9.4
263.11755	10.2
289.38440	9.8
303.12845	9.6
322.41718	9.7
345.24200	36.9
363.25198	72.5
381.26291	81.8
399.27356	35.5
518.40289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40452	3.3
54.49380	4.1
55.05521	11.5
56.49844	3.7
57.03436	5.4
57.07077	11.8
57.47337	4.1
67.05497	11.5
69.07076	4.9
71.08626	22.7
74.67890	4.2
81.07040	21.4
83.08617	33.0
83.18604	4.7
85.10174	19.7
93.07052	4.5
95.08595	11.5
97.10175	74.5
107.08606	19.1
109.10160	6.8
125.09606	80.8
135.08032	6.2
153.09084	4.7
171.10162	6.0
182.47197	4.9
189.11192	38.6
227.12773	100.0
245.13834	76.9
245.72273	4.6
313.27399	76.7
483.36807	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1499
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
51.21494	0.6
54.36631	0.5
58.92343	0.4
60.32115	0.6
62.75313	0.5
66.29641	0.5
68.10395	0.5
69.03416	0.8
70.93463	0.5
80.82918	0.5
81.03396	0.8
81.90154	0.7
83.01347	0.9
85.02905	1.5
90.28554	0.5
98.02517	0.6
103.05458	1.0
110.37063	0.5
127.03890	1.0
131.04932	18.2
147.33470	0.6
167.03384	50.6
185.04419	13.8
192.19492	0.6
208.90942	0.6
271.09616	100.0
293.54053	0.7
297.39978	0.7
319.08170	1.0
320.09201	8.4
321.09448	9.4
327.09924	1.2
334.10638	2.9
335.11517	4.5
336.12143	1.1
519.15887	3.2
519.23169	5.2
522.66748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00066	3.6
53.03941	7.8
55.05519	5.0
57.03423	4.9
57.06673	4.8
61.47684	3.8
67.05501	24.3
69.03413	8.5
69.07059	20.3
73.02914	4.4
78.03220	4.1
79.05490	27.6
81.03416	19.2
81.07072	32.2
83.08643	7.2
85.02895	19.7
91.05466	30.3
91.38477	4.3
93.07034	20.2
95.04938	8.7
95.08599	26.4
97.10144	5.8
99.04456	100.0
105.07037	27.3
106.18008	4.4
107.08560	11.1
109.02815	5.3
109.06525	6.2
109.10139	10.8
113.76259	5.0
117.07016	18.7
119.08574	34.4
120.99666	4.3
121.10123	18.9
125.09625	6.5
129.07030	8.3
131.08595	33.2
133.10158	26.1
141.05489	4.9
143.08572	8.7
145.10098	41.7
147.11731	17.6
155.08533	5.4
157.10123	6.3
159.11668	28.9
169.10146	7.4
171.11729	20.0
173.13280	9.5
175.14670	5.8
185.13283	8.1
187.11060	5.4
199.14748	5.0
271.20395	5.6
301.21671	7.4
303.95087	4.8
318.24133	4.8
325.21707	5.6
347.26126	9.5
349.21936	5.7
367.22620	23.5
465.26242	10.8
483.27243	32.3
489.20731	6.1
501.28384	48.8
519.26923	36.3
519.38245	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	4.1
55.05524	3.1
67.05501	2.9
69.03416	32.1
75.58098	3.1
81.03400	31.9
81.07052	6.9
83.04967	3.2
85.02910	28.2
86.21189	2.7
90.65592	3.0
91.05471	6.1
93.07031	17.5
95.08612	5.2
97.02881	15.4
99.04446	14.5
105.07005	6.9
107.08589	14.3
109.02885	44.6
109.10132	4.8
117.07028	3.9
119.08626	4.6
121.06506	4.3
121.10156	5.1
127.03870	36.9
131.08656	5.0
133.10117	15.9
137.05992	14.0
145.04999	5.2
145.10138	21.0
147.11685	5.8
157.10158	4.3
159.11697	12.1
159.97784	3.1
171.11720	4.5
181.05081	3.4
187.06013	27.4
187.09106	3.0
195.11786	7.5
197.13205	3.7
205.07121	17.6
223.14673	4.9
227.17897	3.3
253.19418	4.1
279.21112	13.4
297.22092	100.0
299.23715	4.0
315.23126	13.8
320.09079	12.5
321.09644	18.7
322.10477	4.1
334.10693	5.5
336.12234	14.3
337.12439	5.7
490.66385	4.0
501.18546	4.6
501.26712	2.9
503.15680	3.6
519.18219	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77607	2.7
55.05513	29.1
57.03440	8.4
57.07076	22.6
59.23381	3.2
61.10154	3.1
63.40636	2.9
67.05518	57.4
69.07067	77.3
71.05027	4.3
71.08624	19.3
78.30889	3.8
79.05503	21.5
81.07066	73.7
83.08622	65.0
85.06493	3.8
85.10170	6.1
93.07041	36.3
95.08598	80.1
97.06516	14.0
97.10175	51.8
107.08588	29.2
109.10151	43.6
111.08067	7.2
111.11727	9.1
121.10139	60.6
121.10906	4.8
123.11683	14.9
135.11682	52.5
139.11142	4.5
149.13232	26.8
151.14879	5.2
163.14799	4.7
167.14322	4.4
177.16409	4.4
247.24202	34.4
265.25250	94.6
283.26273	20.1
337.15549	3.5
339.28949	100.0
357.29935	44.0
445.26794	3.6
519.40295	7.6
537.72034	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95714	4.2
55.05289	4.1
55.05512	41.3
57.03436	5.0
57.07077	29.9
61.02907	5.8
64.14651	4.8
67.05509	44.5
69.03430	4.4
69.07068	81.2
71.08633	10.6
79.05501	18.2
79.71930	4.4
81.07063	63.1
83.08620	77.1
85.10218	7.1
91.05462	6.2
93.07047	34.7
95.08606	85.8
97.06558	4.8
97.10168	46.1
107.08589	24.8
109.10179	33.0
109.57215	4.7
109.61304	4.6
111.08082	6.7
121.10136	78.3
123.11744	6.3
124.47985	4.7
131.08717	4.9
133.10146	5.9
135.11684	55.5
149.13246	25.2
189.00351	5.6
247.24223	30.8
265.25208	100.0
283.26419	11.4
339.28903	73.7
357.29980	43.1
358.74500	5.0
501.35074	5.6
519.40692	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34069	2.8
53.00333	2.4
55.05522	26.2
57.03439	3.8
57.07085	22.3
67.05511	46.1
67.90810	2.3
69.07072	74.8
71.08626	15.2
71.39915	2.2
74.93280	2.6
75.04482	2.5
79.05511	16.4
81.07060	74.1
83.08623	69.4
85.02937	3.1
85.10193	5.9
89.97657	2.6
93.07045	33.4
93.57659	2.4
94.03075	2.3
95.08612	77.0
97.06527	15.4
97.10175	44.5
99.08150	3.3
105.07070	3.5
106.09932	2.8
107.08595	32.2
109.10155	36.6
111.08068	10.5
111.11733	13.5
119.23496	2.7
121.10139	65.3
123.11708	13.7
125.09645	3.7
135.11697	52.5
136.54919	3.0
137.13231	3.3
139.11241	3.2
149.13245	23.4
151.14845	3.4
151.91878	2.7
159.26054	2.8
160.90073	3.0
163.14795	5.7
165.16336	3.4
179.57622	2.5
185.49800	2.9
191.17885	4.2
247.24168	40.6
265.25259	100.0
283.26257	16.2
305.68481	3.5
339.28961	86.5
357.29977	51.4
370.26276	2.9
445.79422	2.8
501.34045	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92107	0.4
73.08415	0.5
81.98302	0.6
92.21523	1.2
110.52174	0.6
115.44345	0.6
130.52151	0.6
146.84087	0.8
222.56915	0.9
276.06326	0.8
276.27036	0.6
287.65530	0.6
290.08093	12.4
302.08084	4.0
304.06076	10.5
318.07639	14.2
319.08401	61.3
334.10730	100.0
520.12286	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21149	0.3
50.25005	0.3
50.30069	0.3
68.59023	0.4
73.44695	0.4
81.21031	0.4
110.45779	0.5
120.73844	0.4
130.91750	0.4
135.04359	0.6
137.05943	0.6
151.03961	2.9
160.68837	0.4
162.05496	12.0
176.06975	0.6
180.06595	0.8
208.06064	1.7
264.06641	0.9
266.08075	0.6
268.09583	1.8
284.09055	3.9
294.07465	1.6
296.09097	0.6
297.06192	3.5
310.07111	0.5
311.07755	0.7
312.08630	34.6
322.07123	2.3
325.05853	5.2
338.06638	0.9
340.08139	100.0
358.09171	76.3
358.16483	2.0
404.65097	0.4
520.14514	8.4
520.21515	2.4
532.39618	0.5
533.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21149	0.3
50.25005	0.3
50.30069	0.3
68.59023	0.4
73.44695	0.4
81.21031	0.4
110.45779	0.5
120.73844	0.4
130.91750	0.4
135.04359	0.6
137.05943	0.6
151.03961	2.9
160.68837	0.4
162.05496	12.0
176.06975	0.6
180.06595	0.8
208.06064	1.7
264.06641	0.9
266.08075	0.6
268.09583	1.8
284.09055	3.9
294.07465	1.6
296.09097	0.6
297.06192	3.5
310.07111	0.5
311.07755	0.7
312.08630	34.6
322.07123	2.3
325.05853	5.2
338.06638	0.9
340.08139	100.0
358.09171	76.3
358.16483	2.0
404.65097	0.4
520.14514	8.4
520.21515	2.4
532.39618	0.5
533.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21149	0.3
50.25005	0.3
50.30069	0.3
68.59023	0.4
73.44695	0.4
81.21031	0.4
110.45779	0.5
120.73844	0.4
130.91750	0.4
135.04359	0.6
137.05943	0.6
151.03961	2.9
160.68837	0.4
162.05496	12.0
176.06975	0.6
180.06595	0.8
208.06064	1.7
264.06641	0.9
266.08075	0.6
268.09583	1.8
284.09055	3.9
294.07465	1.6
296.09097	0.6
297.06192	3.5
310.07111	0.5
311.07755	0.7
312.08630	34.6
322.07123	2.3
325.05853	5.2
338.06638	0.9
340.08139	100.0
358.09171	76.3
358.16483	2.0
404.65097	0.4
520.14514	8.4
520.21515	2.4
532.39618	0.5
533.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42390	1.5
56.54632	1.6
57.19392	1.5
59.16754	1.6
61.37049	1.6
80.89488	1.7
87.70312	1.9
95.49176	1.7
128.23326	2.0
143.08791	1.7
154.06905	1.8
174.05591	6.6
175.03864	2.5
189.07939	3.0
207.55548	1.9
226.08624	46.6
226.10718	2.7
239.46384	1.8
254.11765	10.0
255.12508	2.0
261.60699	2.0
263.68225	2.1
299.11569	3.8
320.09189	2.0
320.12936	1.8
336.12250	17.0
347.11560	4.0
348.12247	2.1
351.11243	3.5
366.13330	27.9
378.13425	4.6
380.11121	21.5
394.13004	13.8
404.11435	21.0
422.12332	52.2
438.44135	2.3
520.15979	100.0
520.26678	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	7.7
70.06566	2.1
72.08089	1.6
88.57568	1.2
98.05981	2.0
99.04432	2.0
108.99352	1.1
116.07047	5.1
116.43826	1.2
119.04876	1.8
137.05942	2.2
145.02782	5.8
151.07513	19.8
162.05484	1.3
173.60237	1.4
177.05484	9.4
178.05746	6.0
179.09349	1.7
190.08618	9.9
192.10127	5.1
194.08034	2.5
197.94780	1.4
206.08032	7.2
223.30113	1.6
269.07932	7.1
279.08820	2.9
281.07910	5.8
292.05933	2.6
292.09686	1.2
294.07498	2.7
295.08194	5.4
299.09103	1.6
307.08429	26.8
308.09018	5.0
309.09772	6.8
310.07782	1.2
310.10660	15.4
312.12201	2.5
322.07239	2.1
322.10681	30.9
322.14243	2.5
323.11688	1.4
325.09433	2.3
340.11783	100.0
358.12781	90.2
358.16495	6.8
407.52802	1.4
502.16629	6.4
520.17657	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99378	0.8
58.06608	28.5
60.80140	0.7
63.23483	0.9
69.03430	1.5
85.02915	7.1
89.16282	0.9
99.04483	1.0
146.40010	1.0
207.07988	1.2
235.07661	1.3
237.09210	4.5
239.07053	1.6
249.05513	3.7
253.08571	12.0
263.07034	2.0
266.05856	1.8
275.80219	0.9
279.06491	1.8
279.09125	1.5
281.08075	63.3
283.06110	0.9
292.06198	3.3
294.07602	1.6
294.11078	0.8
295.09756	14.2
297.07611	1.4
298.08319	27.1
298.11520	1.1
307.08374	23.8
307.11481	1.1
308.09308	4.3
309.10178	5.9
310.10739	11.9
311.09268	2.0
312.09872	1.8
313.10632	8.1
322.10773	24.7
325.09851	1.1
340.11877	39.1
340.15744	1.6
358.12814	18.6
418.57660	1.0
475.15909	1.5
502.17349	1.2
520.22028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83296	0.7
53.03947	0.9
55.01875	0.8
57.03440	0.9
61.02929	1.3
64.33134	0.8
69.03433	14.6
71.08098	0.7
73.02927	1.9
81.03414	10.1
84.98484	0.8
85.02909	15.3
93.59396	0.8
97.02892	9.3
99.04453	3.9
101.69999	0.9
103.03941	1.8
107.04955	69.2
109.02877	13.1
112.78152	0.8
121.06517	3.7
123.04410	10.6
127.03906	13.0
137.05989	5.5
143.04918	7.3
145.04872	1.4
145.06464	9.9
148.53990	1.1
149.05971	14.8
151.07538	16.4
161.05959	30.2
163.07695	0.9
164.07088	6.4
165.05479	1.0
167.07065	1.1
175.06288	1.2
177.05466	4.3
178.08582	1.2
179.09389	2.1
180.10144	4.4
187.05997	2.1
190.08621	74.7
191.09399	21.2
192.10196	7.4
194.11781	1.3
195.08029	2.0
199.92810	0.9
207.07994	1.4
208.09666	19.3
209.09560	1.2
235.07588	1.7
237.09076	5.7
239.10724	1.1
249.09102	6.2
255.10139	50.3
265.08548	1.3
267.10110	4.1
272.12784	26.6
277.08566	20.6
287.12384	0.9
295.09671	1.1
297.11285	1.5
299.12863	4.1
308.12805	1.4
309.11087	1.5
325.13055	7.1
327.12271	4.4
340.15485	17.7
358.16458	46.3
476.19144	17.1
520.21277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	10.2
73.97417	1.1
88.01284	1.1
112.97040	1.1
149.06024	1.6
151.07542	11.2
161.09218	1.3
162.05490	1.3
163.07565	2.4
190.08607	14.0
191.09471	1.4
192.10193	35.7
206.08087	1.9
208.09659	4.6
239.06889	1.6
253.08603	4.8
263.06924	4.9
265.15149	1.2
268.82507	1.5
269.08167	4.7
277.08652	7.1
279.08850	4.5
281.08121	22.4
283.09662	2.7
292.06110	4.7
294.07687	5.2
294.11115	2.4
295.08224	8.1
298.08408	9.0
307.08362	40.7
308.09152	8.0
309.10098	8.9
310.10742	18.6
313.10745	2.0
322.10693	41.8
323.11682	1.3
325.09448	1.6
325.13101	2.3
327.08707	1.6
340.11813	100.0
340.15256	4.4
358.12769	71.1
358.16559	13.3
502.17114	1.9
520.21210	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62609	0.7
58.06595	4.0
58.13694	0.7
69.86294	0.7
106.91653	0.8
118.83862	0.8
190.08646	4.8
192.10201	26.7
252.07912	0.9
264.10263	1.3
277.08673	1.3
278.08044	1.6
279.08890	4.6
281.08167	8.2
292.06006	5.0
292.09390	1.2
294.07593	8.8
294.11002	2.6
295.08304	10.6
298.08240	2.0
307.08362	54.8
308.09222	9.7
309.09836	9.0
310.10699	23.8
313.10977	0.9
322.10718	57.5
325.09467	1.0
327.12323	0.9
340.11777	100.0
358.12769	41.1
358.16571	5.3
398.84808	1.0
502.17084	3.6
504.36218	1.0
520.21198	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27048	0.3
58.06609	3.8
64.71442	0.3
69.03407	0.5
70.16145	0.3
73.47355	0.4
97.02877	0.6
99.26352	0.3
107.04974	1.7
118.11829	0.4
121.06409	0.4
126.61791	0.3
137.05977	0.6
142.04976	0.4
179.07051	1.6
192.10156	0.4
249.07768	0.5
251.07147	0.5
253.08615	1.8
264.06448	2.7
264.10181	2.1
266.08179	0.7
269.11588	0.5
272.51654	0.4
278.08151	1.6
279.08994	6.1
280.06027	0.4
281.08044	8.2
283.09607	0.5
290.08252	1.4
292.06061	6.8
292.09717	1.7
293.08008	1.4
293.10773	0.5
294.07642	6.4
294.11276	3.4
295.08325	9.7
298.08463	3.5
307.08389	56.7
308.09164	9.9
309.09955	13.2
310.10736	26.9
311.09137	0.9
312.12625	0.5
312.42014	0.4
313.10782	0.7
321.09869	0.4
322.10736	56.8
323.07874	0.5
323.11511	2.0
324.08655	1.7
325.09653	0.7
328.11816	1.6
340.11804	100.0
358.12842	34.9
427.54285	0.4
502.17130	4.5
520.18341	16.5
530.27014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13132	0.5
57.06979	0.6
62.23163	0.5
64.06310	0.5
66.32981	0.7
67.05478	0.7
67.59349	0.5
77.35094	0.6
78.20219	0.6
81.07041	1.2
84.07365	0.6
88.03954	0.8
95.08591	0.7
102.08654	0.5
109.10136	0.6
128.04768	0.6
190.04997	1.1
198.69647	0.7
278.07993	0.9
279.08807	0.7
290.08093	0.7
292.09561	0.9
294.07455	1.2
304.05762	0.6
306.07556	14.8
318.07465	4.0
319.08237	3.0
320.05371	6.7
320.09006	2.6
321.09674	2.6
334.06897	12.3
334.10672	6.8
335.07813	43.9
335.25641	1.2
336.12280	11.5
348.12131	0.9
349.09329	2.8
349.13058	0.9
350.10196	100.0
364.08081	0.8
442.16312	1.0
520.19305	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69446	0.3
50.97533	0.4
54.84453	0.3
60.98026	0.3
61.35142	0.3
61.88434	0.3
62.00008	0.3
63.45073	0.3
89.54903	0.3
97.02876	0.4
118.82256	0.3
134.34952	0.4
181.08487	0.5
209.17845	0.4
292.09677	2.1
320.09167	100.0
321.09702	1.4
336.12228	3.0
411.13864	0.5
520.19623	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69094	0.1
53.72573	0.1
65.17021	0.2
92.20905	0.2
141.69588	0.2
176.07056	0.4
182.77679	0.2
204.22707	0.2
260.87982	0.2
292.09641	3.4
304.27252	0.2
307.08328	0.4
308.08807	0.2
318.07593	0.4
320.09167	100.0
334.10587	0.7
336.12280	1.7
460.40720	0.2
504.16724	0.2
520.19672	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41920	0.2
51.26366	0.2
53.42734	0.2
55.40586	0.2
58.98422	0.2
69.03961	0.3
79.42637	0.3
92.21589	0.3
99.30137	0.3
105.15438	0.3
131.28287	0.2
150.34467	0.2
160.92313	0.3
176.07042	0.4
198.52042	0.2
201.55569	0.3
206.76382	0.3
291.80396	0.3
292.09698	2.7
306.07443	0.3
319.08224	0.3
320.09167	100.0
321.10010	0.4
336.12320	2.6
411.40100	0.3
421.44464	0.3
520.19653	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56436	0.4
67.37429	0.4
99.04480	0.9
127.99758	0.4
138.64734	0.4
251.18433	0.5
292.09549	3.4
309.08667	0.5
320.09158	100.0
321.10004	2.3
334.10794	0.9
336.12219	8.1
445.90045	0.5
476.16739	0.6
504.16574	0.9
520.19513	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1967
Annotation	Aglaroxin A
Peak:m/z	Relative Intensity
53.69094	0.1
53.72573	0.1
65.17021	0.2
92.20905	0.2
141.69588	0.2
176.07056	0.4
182.77679	0.2
204.22707	0.2
260.87982	0.2
292.09641	3.4
304.27252	0.2
307.08328	0.4
308.08807	0.2
318.07593	0.4
320.09167	100.0
334.10587	0.7
336.12280	1.7
460.40720	0.2
504.16724	0.2
520.19672	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60427	0.4
55.70415	0.4
63.82089	0.4
76.13628	0.3
97.85950	0.4
121.10090	0.5
137.05940	0.5
145.02769	0.6
145.51297	0.4
147.04330	0.6
149.00607	0.5
171.48265	0.4
177.05380	2.1
292.09650	3.7
306.07562	0.6
319.08310	0.9
320.09152	100.0
321.09885	2.7
322.10419	0.7
334.10681	2.0
335.07764	3.2
336.12280	8.3
337.12613	1.5
338.13327	0.7
350.10165	6.0
353.20105	0.4
443.64996	0.4
474.15390	0.6
490.18790	1.9
520.19714	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06964	0.3
57.02570	0.2
58.06608	0.4
65.98409	0.3
69.03438	1.3
75.44918	0.3
85.02917	2.1
91.03948	0.4
95.04916	0.3
107.04971	1.6
109.02942	0.5
120.48026	0.4
121.06525	0.5
127.03979	0.5
137.06006	1.8
149.05984	8.4
151.07539	10.6
158.63560	0.3
161.05991	1.2
163.07558	0.4
167.07086	1.4
175.06339	0.5
176.07120	0.6
177.05435	2.7
178.08525	0.5
179.07069	0.6
179.09494	2.0
180.10114	3.0
190.08629	43.4
191.09419	14.0
191.11197	0.4
192.10159	4.6
194.11795	0.6
195.08105	1.5
208.09682	12.1
208.11423	0.6
223.07626	1.3
227.10765	0.4
235.07576	1.6
237.09059	0.5
239.10719	0.7
249.09081	3.2
255.10289	2.1
265.08551	0.6
267.10278	2.0
271.09573	1.6
277.08588	11.5
294.08911	0.6
295.09793	0.7
297.11288	1.6
299.12787	0.8
308.12857	1.6
309.11093	1.2
322.87823	0.4
324.12430	0.5
325.13095	2.8
327.12253	2.4
340.15451	13.2
340.19376	0.6
358.16492	27.9
413.13528	0.4
520.21857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	19.8
58.72784	1.0
65.37846	0.8
65.91223	0.8
69.03421	1.3
73.18251	1.0
75.94576	0.8
80.48096	0.9
85.02895	2.3
109.84293	1.2
132.92287	1.2
149.13489	1.0
192.10184	13.2
211.00673	1.3
224.52649	1.1
235.07440	2.3
237.09024	2.0
238.06233	1.3
239.06917	2.3
253.08636	8.7
263.06738	1.3
266.05579	1.4
267.10101	1.4
279.06491	2.4
281.08078	55.6
292.05966	1.5
294.07477	1.3
295.09680	8.8
298.08322	24.6
307.08389	18.0
308.09360	3.6
309.09940	2.5
310.10831	7.8
311.08887	1.2
312.09644	1.1
313.10544	7.6
314.41025	1.0
315.12512	1.3
322.07916	1.2
322.10831	21.2
340.11874	39.3
358.12790	16.9
358.16449	2.3
394.86569	1.1
412.77234	1.2
455.88626	1.1
481.20474	1.2
502.16946	1.8
520.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52497	0.3
56.93595	0.3
58.06561	0.4
63.23966	0.3
69.03345	0.4
85.02808	1.8
87.04382	0.3
93.96408	0.3
97.02824	0.6
109.02801	0.4
137.06013	2.4
139.75824	0.3
149.05975	4.2
151.07536	12.1
161.05795	0.3
165.05328	0.5
167.07004	3.7
176.06944	2.2
177.05519	3.2
178.08562	1.8
179.09439	0.6
180.10191	4.9
188.07057	0.5
189.05327	0.5
190.08627	50.4
191.09399	14.2
192.10217	3.5
194.11713	1.2
195.07938	0.7
204.10132	0.4
208.09686	11.2
223.07408	0.4
235.07445	0.7
240.92506	0.3
249.09094	5.1
255.10123	1.2
265.08643	0.7
267.10168	2.9
271.09647	0.5
277.08606	9.8
277.11264	0.3
287.12869	0.6
295.09595	0.8
297.11234	1.4
299.12827	1.8
308.12839	2.1
309.11032	3.4
311.12720	0.5
315.12469	0.4
324.12375	0.5
325.13196	2.8
327.12219	2.3
338.13403	0.3
340.11465	0.8
340.15436	15.7
358.16501	68.6
360.81897	0.3
400.15009	0.3
520.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2185
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
50.81781	0.3
58.06609	3.8
61.33789	0.4
64.81819	0.4
69.03451	0.9
71.19809	0.3
72.08115	0.4
85.02932	2.9
87.04456	0.5
95.59809	0.4
127.03966	0.5
135.04428	4.9
135.61130	0.4
137.05998	3.3
144.41090	0.5
149.06041	0.7
150.06741	0.6
151.07571	3.2
163.04012	2.2
165.09097	10.6
175.07588	0.6
175.10141	0.4
176.07047	0.5
177.05466	0.5
178.08624	4.6
180.10216	0.6
188.07088	0.8
189.07797	0.6
190.08655	9.9
191.09323	3.7
192.10234	10.3
193.10574	7.4
194.11900	2.8
196.13359	0.7
203.62198	0.4
204.10202	27.2
204.12054	1.0
205.10976	11.6
206.11772	4.7
208.09784	2.0
222.11250	37.5
255.06676	1.0
263.10883	1.6
265.08972	0.6
271.09879	0.8
277.08734	1.6
278.09302	0.9
281.08371	1.6
285.11295	1.6
287.12820	1.7
291.10324	3.6
294.08591	0.5
297.07874	0.5
297.11484	0.6
299.13000	2.6
309.07907	0.8
309.10867	3.6
310.11032	0.6
322.10748	0.7
324.08652	0.5
327.12460	2.8
340.11841	3.1
340.15659	10.3
342.13559	1.7
350.13873	3.1
356.11246	0.7
357.11722	0.8
357.19330	0.9
358.12512	5.5
358.16418	61.0
444.11005	0.5
520.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	24.5
67.25961	0.5
69.03420	1.0
75.04365	0.5
85.02914	5.1
97.02892	0.7
106.70895	0.5
109.02864	0.5
117.93384	0.5
134.78204	0.5
143.91734	0.5
207.08015	0.7
225.09267	0.6
235.07622	3.2
237.09152	2.7
238.06235	1.2
239.07184	1.1
249.05557	2.9
251.07118	1.0
252.07904	0.6
253.08595	10.9
260.25052	0.5
263.07114	3.0
265.08582	0.5
266.05783	3.8
279.06500	3.3
280.07471	0.8
281.08084	59.4
283.06125	2.0
283.09613	1.1
292.06400	0.6
293.08112	0.9
295.09695	10.4
296.06912	0.8
296.10617	0.6
297.07535	0.6
298.08325	25.0
298.11505	1.1
307.08456	4.7
309.09680	0.7
310.10806	2.6
311.09247	2.3
312.09827	2.1
313.10757	6.0
315.12457	0.7
322.11002	3.7
336.10242	0.5
340.12036	9.0
358.12912	3.2
358.16797	0.7
364.64041	0.6
475.16211	2.6
493.56912	0.6
520.21857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14699	0.5
53.55168	0.4
58.06607	0.8
59.97916	0.5
63.03884	0.5
66.70030	0.6
67.13623	0.5
67.90228	0.6
70.06596	1.0
72.49602	0.5
81.03418	0.6
85.02894	1.2
97.02928	0.9
107.84363	0.6
127.03979	0.8
137.05971	1.2
147.04408	5.0
149.04935	0.8
149.05893	4.0
151.07530	11.4
161.06062	0.6
164.07063	0.7
164.08354	0.8
165.09045	0.8
167.07047	3.1
175.07626	0.7
176.07005	2.1
177.05582	2.4
178.08635	3.1
180.10155	4.5
190.08623	48.9
191.09419	11.8
192.10156	4.2
194.08145	2.1
194.11815	0.9
195.08119	1.0
208.09695	9.3
223.07547	0.8
235.07608	0.7
249.09039	4.8
255.10049	0.6
267.10229	1.2
277.08542	9.2
277.10788	0.5
295.09674	1.0
297.11484	1.0
299.12781	2.3
308.12805	2.2
309.11212	2.6
310.14401	0.7
312.16119	0.7
325.13144	2.7
327.12344	2.3
340.15430	17.5
343.76553	0.7
358.16489	62.4
520.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2177
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
53.60896	0.6
59.51998	0.7
64.44424	0.8
69.03426	0.8
83.99876	0.7
84.87604	0.7
85.02937	4.2
97.02958	0.7
107.04980	4.8
109.02917	1.0
127.03992	1.4
137.06038	2.9
137.26031	0.8
147.04439	0.9
149.05965	9.1
151.07535	12.2
161.06042	1.9
164.07056	1.2
166.93260	0.8
167.07002	1.2
175.07564	1.0
177.05507	1.9
179.09526	1.3
180.10269	3.8
190.08626	56.0
191.09438	14.4
192.10201	6.2
195.07961	1.2
195.18192	0.9
198.62553	0.8
208.09692	18.2
208.11554	0.9
223.99774	0.8
235.07657	1.1
249.09225	3.7
255.10231	5.4
267.10153	1.5
272.13058	1.2
277.08585	12.9
293.08099	1.2
295.09610	1.3
297.11346	1.2
299.13025	1.7
308.12924	1.8
309.11307	1.6
311.09467	1.0
325.13348	4.0
327.12524	3.6
328.12164	1.3
340.15408	17.0
358.16479	35.4
384.59302	0.9
400.80847	0.8
435.97247	1.0
476.18958	1.3
520.21997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2177
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
53.25967	0.4
58.06601	0.7
87.79651	0.4
94.28365	0.5
107.04960	1.0
117.27297	0.5
119.04906	0.8
132.74126	0.6
137.05986	4.5
149.05963	6.1
151.07533	16.0
154.58585	0.5
162.05476	0.9
163.07509	0.5
164.07018	0.7
175.03888	0.7
176.07100	0.9
177.05473	4.9
178.08623	0.6
179.06981	1.0
179.09413	2.6
180.10161	4.2
190.08614	48.2
191.09406	23.1
192.10181	8.0
194.11682	0.8
195.07974	1.8
208.09668	19.2
223.07524	0.9
235.07603	2.0
237.08907	0.6
239.10568	0.8
243.78615	0.5
249.09103	3.2
251.06947	2.5
255.10228	0.8
263.09341	0.6
264.06522	1.3
264.09912	0.6
265.08502	2.8
267.10178	2.5
271.09622	0.7
276.10220	0.5
277.08572	13.9
278.05573	2.0
278.08243	2.2
279.08871	5.8
279.64667	0.5
283.09589	1.2
290.08240	2.1
292.06006	5.6
292.09454	1.3
293.07962	4.8
294.07715	4.6
294.11127	1.5
295.08322	9.3
297.10910	0.7
299.09125	1.0
299.12717	1.2
307.08356	49.0
308.09097	7.7
308.12689	2.9
309.09900	10.7
310.10699	25.9
311.09048	3.6
311.12521	1.1
315.12134	0.6
322.10709	47.9
323.11508	1.2
325.13004	3.4
327.12247	3.4
328.11838	5.6
338.10297	0.6
340.11786	78.5
340.15460	9.5
358.12665	23.4
358.16458	60.3
419.55426	0.6
502.17313	4.1
520.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10700	0.6
57.75869	0.7
62.74741	0.6
69.03427	0.8
81.90576	0.7
85.02902	1.2
92.03306	0.8
93.47551	0.8
94.53355	0.7
137.06023	1.5
149.05988	1.7
151.07520	11.1
167.07069	3.7
176.07082	3.7
177.05536	3.4
178.08617	1.1
180.10213	4.3
190.08614	47.1
191.09406	12.4
192.10199	3.2
208.09659	10.5
249.09152	4.6
255.10176	1.0
267.10211	3.0
277.08511	10.4
278.09464	1.0
295.09601	0.9
297.11212	1.0
299.12924	1.4
308.12753	1.2
309.10876	1.5
312.08826	3.7
325.13348	1.0
327.12231	3.2
340.08246	10.0
340.15356	14.7
358.09860	6.5
358.16470	68.0
424.42291	1.1
453.08554	0.7
520.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14699	0.5
53.55168	0.4
58.06607	0.8
59.97916	0.5
63.03884	0.5
66.70030	0.6
67.13623	0.5
67.90228	0.6
70.06596	1.0
72.49602	0.5
81.03418	0.6
85.02894	1.2
97.02928	0.9
107.84363	0.6
127.03979	0.8
137.05971	1.2
147.04408	5.0
149.04935	0.8
149.05893	4.0
151.07530	11.4
161.06062	0.6
164.07063	0.7
164.08354	0.8
165.09045	0.8
167.07047	3.1
175.07626	0.7
176.07005	2.1
177.05582	2.4
178.08635	3.1
180.10155	4.5
190.08623	48.9
191.09419	11.8
192.10156	4.2
194.08145	2.1
194.11815	0.9
195.08119	1.0
208.09695	9.3
223.07547	0.8
235.07608	0.7
249.09039	4.8
255.10049	0.6
267.10229	1.2
277.08542	9.2
277.10788	0.5
295.09674	1.0
297.11484	1.0
299.12781	2.3
308.12805	2.2
309.11212	2.6
310.14401	0.7
312.16119	0.7
325.13144	2.7
327.12344	2.3
340.15430	17.5
343.76553	0.7
358.16489	62.4
520.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2178
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
54.56511	1.5
58.06612	58.0
65.93996	1.5
69.03438	2.8
70.06576	1.9
81.03436	2.2
85.02914	7.2
107.04962	2.3
116.07065	2.0
120.41874	1.7
121.06534	2.0
132.00087	1.8
163.03864	2.7
181.22574	1.6
235.07523	7.0
249.05453	2.0
253.08536	12.0
263.07053	23.3
266.05682	2.5
280.07306	1.8
281.08057	55.4
292.05933	1.9
295.09720	23.7
298.08392	19.0
307.05057	1.6
307.08301	15.9
308.09229	2.1
309.09851	2.4
310.10733	7.8
311.09253	2.5
313.10681	11.9
322.10773	21.4
340.11902	43.2
340.15509	5.6
358.12805	20.3
358.16483	4.6
391.18613	1.7
423.35876	2.0
437.00095	1.9
502.17175	2.2
520.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61072	0.5
67.24366	0.5
68.72106	0.6
73.08086	0.6
110.76439	0.6
196.84962	0.7
247.38687	0.8
292.09604	9.6
304.09796	1.0
306.07553	2.9
308.08893	0.8
320.09189	15.1
321.09955	33.2
322.10480	1.2
323.11295	1.0
334.10727	2.6
336.12283	100.0
338.13995	4.4
348.25790	1.2
366.13138	0.7
422.29910	1.0
440.30545	0.8
452.82758	0.7
520.23071	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.233
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70499	0.5
77.71089	0.5
91.96111	0.6
131.04976	0.7
190.04947	0.7
225.01811	0.6
239.69284	0.7
292.09732	3.2
319.08530	1.1
320.09186	12.2
321.09848	5.2
322.10715	1.1
323.11362	0.9
334.10715	5.5
336.12286	100.0
338.13940	1.3
516.08984	0.7
520.16260	1.1
520.23236	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47519	0.4
67.05444	0.8
69.04896	0.4
78.42597	0.4
79.05428	0.7
81.06982	1.1
83.08506	0.8
91.05423	1.1
93.06969	0.7
95.04888	0.7
95.08527	0.6
99.91389	0.4
107.04891	0.8
107.08581	0.6
109.10077	0.6
114.39658	0.4
119.08490	0.8
121.06412	0.8
121.10107	1.3
121.32659	0.5
125.59181	0.5
133.10056	0.7
136.06165	0.5
229.71396	0.5
275.20053	0.8
277.03320	0.5
292.09625	9.4
293.21109	2.9
304.09689	0.8
306.07571	2.6
320.09116	9.1
321.09937	31.5
322.10440	1.0
334.10568	0.5
336.12283	100.0
337.13132	1.0
352.15338	1.0
520.23474	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	6.1
57.38634	3.5
60.04534	20.6
67.05518	32.6
69.07066	10.4
73.02935	6.7
79.05508	24.5
81.07073	47.4
83.05000	5.9
88.04001	100.0
91.05463	9.3
93.07079	36.6
95.08604	42.0
98.98473	45.6
105.07056	9.8
106.05025	30.9
107.08619	25.3
109.10174	9.6
116.73345	6.3
119.08603	5.9
121.10184	20.1
125.27694	4.9
131.08601	7.0
133.10138	9.4
145.10109	6.2
147.11705	5.2
155.01112	8.6
160.96718	4.5
173.02135	6.3
178.12190	4.8
261.22162	22.8
335.25803	93.8
336.12131	9.5
348.25162	6.0
385.88947	5.2
415.22406	10.7
502.25580	7.9
520.20404	17.9
520.27094	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45240	0.5
60.97535	0.5
62.94620	0.5
66.97749	0.6
81.07059	2.0
92.95567	0.5
99.04476	0.9
119.08586	0.7
133.10146	1.1
167.58063	0.5
174.57570	0.5
292.09650	0.8
306.11270	6.1
316.09753	5.9
317.10486	18.2
318.11301	0.9
320.09180	18.7
320.12741	0.9
330.11218	7.3
332.09189	0.7
334.10718	12.7
335.11499	19.1
348.12268	23.7
362.13980	3.8
390.16904	1.0
404.18625	2.4
445.55225	0.6
446.23465	0.7
486.67648	0.6
488.24341	9.2
490.22330	10.9
496.26175	0.6
504.23627	0.9
520.26959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12716	0.2
58.99179	0.2
63.21277	0.2
77.66269	0.3
83.22723	0.2
83.86817	0.2
92.21574	0.2
114.12343	0.2
194.58505	0.2
200.08830	0.3
206.90405	0.2
292.09637	7.9
304.09747	1.3
306.07574	1.8
307.08630	0.3
308.09238	0.9
313.07037	0.3
315.11469	0.3
320.09177	14.7
321.09912	27.2
322.10309	3.1
334.10791	0.4
335.11102	0.4
336.12277	100.0
337.12924	0.4
352.15329	0.3
520.23077	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.6
58.06610	5.9
59.04993	26.0
67.05497	8.1
69.03441	10.5
69.07066	11.1
71.04989	23.1
72.39835	5.1
79.05499	12.4
80.18846	5.0
81.07063	100.0
85.02895	31.0
85.06538	7.9
87.00819	9.1
91.05462	6.8
91.24406	5.6
93.07046	41.3
95.08603	24.1
96.80377	6.1
97.02911	7.0
97.06529	10.7
102.90520	5.0
105.01854	37.4
105.07053	70.2
107.08590	76.8
109.06512	6.1
109.10121	59.6
119.08577	51.1
121.06512	9.5
121.10158	39.7
122.79736	6.5
123.11664	30.6
125.09636	51.9
127.03880	8.2
127.11195	23.1
133.10146	68.6
135.11696	67.6
136.06216	10.5
143.10698	60.6
145.10115	69.3
147.11708	25.2
149.13234	12.0
151.11162	29.2
153.99159	6.2
159.02861	6.5
159.11662	13.6
161.13261	46.0
179.14301	23.6
197.03781	5.7
201.16388	45.5
219.17384	63.7
237.18445	52.0
249.06018	11.4
250.01492	5.7
254.21068	10.7
284.09448	6.3
321.09833	10.8
322.10788	26.7
334.10480	11.0
336.12302	56.7
337.12869	6.3
339.14398	7.0
340.14426	7.1
391.63367	5.6
520.18561	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42099	0.5
57.59275	0.6
58.06610	0.9
60.08165	9.8
61.04279	0.6
65.14510	0.6
67.05498	1.4
71.07346	1.6
75.16116	0.6
75.82710	0.7
81.07063	1.2
86.09703	36.9
95.08593	1.2
104.10743	81.9
116.57655	0.6
124.99982	17.2
125.15377	0.6
137.35587	0.6
150.29057	0.7
163.01460	0.8
184.07329	100.0
370.98184	0.7
502.32507	4.6
520.33899	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	5.6
67.05534	0.4
68.44931	0.3
71.07368	0.7
85.14861	0.3
86.09706	22.3
92.21000	0.4
98.98471	0.7
104.10757	1.4
125.00001	12.6
129.76662	0.4
184.07335	100.0
336.12207	0.9
502.32837	0.9
520.26324	0.8
520.33887	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78073	3.3
57.07080	58.1
67.05496	8.4
69.03433	31.9
69.07073	4.3
71.08640	37.3
78.78271	2.9
79.23162	3.0
81.03423	35.8
81.07063	22.0
83.08623	16.9
85.02904	34.3
85.10188	41.3
95.08598	47.0
97.02906	33.7
97.10175	20.5
99.04478	13.0
109.02225	3.7
109.02883	32.1
109.10133	27.0
117.40765	3.6
123.11705	7.4
127.03936	36.4
139.07530	4.3
145.04971	5.2
151.07780	3.6
239.23647	21.4
323.29575	7.7
354.06357	4.3
383.27826	45.1
401.28973	100.0
520.40411	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38961	3.4
55.05512	5.7
57.07078	43.5
60.11653	3.4
67.05500	18.4
68.14577	4.1
69.03435	39.4
69.07067	8.6
69.31307	4.1
71.08627	42.1
81.03412	19.0
81.07063	19.2
83.08620	22.0
84.08158	4.8
85.02898	29.6
85.10201	32.3
95.08596	43.7
97.02888	21.6
97.10191	9.5
103.79396	4.4
109.02863	8.6
109.10163	17.2
123.11737	9.2
127.03909	30.3
136.11908	4.5
139.07567	5.5
145.04956	6.5
195.13698	5.6
227.92705	4.5
233.28668	5.2
239.23587	37.6
258.04599	4.7
383.27759	25.1
389.00040	4.8
401.29004	100.0
520.39508	8.1
525.06158	5.1
527.14612	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.4
57.07080	33.8
57.39497	2.4
58.66184	2.6
63.46030	2.8
67.05502	13.1
69.03430	31.8
69.07060	4.8
71.08637	30.5
81.03413	16.2
81.07047	18.9
83.08624	16.2
85.02917	22.4
85.10186	15.8
92.20977	4.1
95.08603	29.0
97.02888	61.8
97.10167	3.7
99.04455	7.8
109.02868	7.5
109.10136	19.0
115.91689	3.0
123.11709	4.1
127.03911	22.6
127.71725	3.6
145.04965	15.2
219.29422	3.4
239.23674	29.1
305.82401	3.0
383.27866	17.8
401.28928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27412	0.5
66.91323	0.6
70.06574	0.6
78.14286	0.6
81.03412	1.0
82.65694	0.6
85.02919	0.8
85.79577	0.6
95.35363	0.6
99.04453	6.8
119.38343	0.5
127.03877	1.0
137.05994	0.8
142.35390	0.6
143.04895	0.6
190.03032	0.6
193.04875	0.7
224.07056	14.0
225.07870	3.8
254.08147	2.5
257.06763	3.8
265.07346	1.0
268.09726	2.6
282.07666	1.4
283.08374	1.5
293.09232	4.3
294.07376	1.0
295.08041	0.7
295.10876	6.3
296.05524	100.0
298.11215	0.7
305.09161	0.8
307.10733	2.7
308.08340	3.3
309.09665	5.8
310.07089	6.2
310.10236	0.8
311.07877	0.8
323.10242	54.2
324.11118	1.4
326.10022	3.0
342.09677	3.3
367.09067	0.9
445.14020	1.2
477.16568	15.1
520.01398	0.8
521.15485	42.4
521.21387	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99571	0.8
60.48740	0.7
63.08583	0.7
68.40818	0.8
68.65656	0.7
69.03438	1.2
78.65697	0.7
81.03425	1.6
82.66032	0.7
85.02918	1.5
91.05462	4.0
103.05463	3.8
109.54642	0.8
119.04938	12.5
127.03890	0.8
131.04910	8.3
137.28235	0.9
147.04419	19.8
157.03925	1.1
163.07513	1.0
175.03893	64.1
207.06517	100.0
258.59186	0.9
369.11743	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99571	0.8
60.48740	0.7
63.08583	0.7
68.40818	0.8
68.65656	0.7
69.03438	1.2
78.65697	0.7
81.03425	1.6
82.66032	0.7
85.02918	1.5
91.05462	4.0
103.05463	3.8
109.54642	0.8
119.04938	12.5
127.03890	0.8
131.04910	8.3
137.28235	0.9
147.04419	19.8
157.03925	1.1
163.07513	1.0
175.03893	64.1
207.06517	100.0
258.59186	0.9
369.11743	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06832	2.1
55.05514	3.0
55.90672	2.5
56.91387	2.3
60.08156	3.3
61.02908	2.6
64.62946	2.1
67.05488	3.3
69.07073	4.3
78.17364	2.6
81.07050	5.6
85.02921	3.4
86.06073	19.4
86.09711	15.4
87.10034	6.3
93.63687	2.8
95.08586	2.9
97.02898	4.0
109.02888	3.2
124.99998	6.0
153.03198	2.7
155.02780	4.1
155.30133	3.7
156.03577	6.1
156.43098	2.6
158.99564	3.3
170.03456	3.2
177.00662	3.0
182.03342	17.9
184.07332	39.7
185.07684	16.1
186.07773	23.0
187.08044	3.1
191.03810	19.2
212.04311	3.3
219.01801	5.5
219.05261	4.0
227.04921	6.5
253.15656	2.8
261.02826	5.1
263.05981	12.0
279.03983	6.5
338.27686	4.2
359.17020	4.3
467.14185	3.0
521.22321	100.0
521.33429	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06832	2.1
55.05514	3.0
55.90672	2.5
56.91387	2.3
60.08156	3.3
61.02908	2.6
64.62946	2.1
67.05488	3.3
69.07073	4.3
78.17364	2.6
81.07050	5.6
85.02921	3.4
86.06073	19.4
86.09711	15.4
87.10034	6.3
93.63687	2.8
95.08586	2.9
97.02898	4.0
109.02888	3.2
124.99998	6.0
153.03198	2.7
155.02780	4.1
155.30133	3.7
156.03577	6.1
156.43098	2.6
158.99564	3.3
170.03456	3.2
177.00662	3.0
182.03342	17.9
184.07332	39.7
185.07684	16.1
186.07773	23.0
187.08044	3.1
191.03810	19.2
212.04311	3.3
219.01801	5.5
219.05261	4.0
227.04921	6.5
253.15656	2.8
261.02826	5.1
263.05981	12.0
279.03983	6.5
338.27686	4.2
359.17020	4.3
467.14185	3.0
521.22321	100.0
521.33429	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3105
Annotation	C11300
Peak:m/z	Relative Intensity
50.72835	3.8
51.88264	4.0
55.05518	7.4
57.03420	3.9
58.72059	4.9
67.05512	35.1
67.84297	4.1
69.03442	11.5
69.07084	10.7
71.08629	4.8
73.02924	20.9
79.05510	26.8
81.03419	17.7
81.07079	43.4
81.67091	4.6
83.08647	5.7
84.08147	5.4
85.02907	18.1
91.05469	23.7
92.21416	5.8
93.07057	44.0
95.04942	7.6
95.08618	32.6
97.06483	5.3
98.07509	4.4
99.04466	100.0
105.07030	29.2
107.08596	22.5
109.10149	17.9
117.06992	5.0
119.08601	28.9
121.06476	6.2
121.10189	7.3
123.11719	6.3
125.56910	4.6
131.08574	23.9
133.10150	19.8
135.08096	4.7
135.11707	10.8
143.08563	8.3
145.10132	24.4
147.08023	7.3
147.11752	5.0
157.10103	5.7
159.11705	10.9
161.13234	5.8
169.10062	6.9
171.11681	5.7
175.14839	5.6
182.39517	5.2
183.34096	6.0
235.17140	6.0
261.22217	5.6
299.56192	4.8
303.23257	5.3
351.23010	9.3
369.24228	22.6
387.25259	9.6
405.26459	9.9
485.28909	29.8
503.29895	29.9
521.30914	23.0
521.40051	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3108
Annotation	C11300
Peak:m/z	Relative Intensity
53.03954	12.5
55.01881	4.1
55.05518	13.9
55.53831	2.2
56.75264	2.4
57.07085	5.5
60.40193	2.8
67.05506	28.8
69.03438	5.2
69.07064	16.5
73.02908	16.1
79.05495	20.3
81.03426	25.9
81.07069	36.4
83.04984	3.9
83.08616	6.2
85.02899	19.6
86.09698	5.2
91.05475	16.3
93.07038	27.2
95.04973	6.8
95.08608	25.2
97.02928	4.0
97.06527	4.4
97.10139	3.9
99.04459	100.0
103.03964	4.6
104.10749	4.7
105.07043	17.6
107.08614	21.2
109.02888	4.0
109.10173	11.0
115.03935	3.7
117.07010	6.9
119.08586	21.5
121.10159	16.6
122.42777	3.0
123.08108	4.2
123.11691	4.3
125.09677	3.9
129.06995	5.8
131.08589	18.7
133.10118	18.6
133.73763	2.7
135.08054	4.0
135.11694	14.3
137.13072	3.1
141.05441	3.8
141.07047	3.6
143.08574	11.7
143.67592	2.8
145.10127	13.3
147.11731	11.1
149.09680	3.2
157.10146	7.1
159.11705	11.9
161.13245	15.5
163.14777	4.0
169.10100	3.8
171.11629	3.3
173.13280	6.1
175.14841	4.4
184.07353	13.8
185.09602	3.7
224.22981	3.0
227.14270	3.5
243.08620	4.3
261.22113	4.0
275.23611	5.7
283.29984	3.4
285.22324	3.8
290.71378	3.3
303.23160	20.2
315.23383	3.7
319.22504	3.6
325.95270	3.4
327.23300	4.6
351.23334	3.1
369.24216	14.3
387.25284	11.4
395.46063	3.1
405.26312	5.5
419.27438	4.6
467.27869	14.9
485.29022	39.6
498.99857	4.0
503.29941	58.4
521.30756	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48362	1.9
53.03951	9.9
55.05515	5.2
55.39949	2.2
57.03450	2.3
65.03968	2.3
65.49686	1.9
67.05504	22.1
69.03429	13.6
69.07062	9.3
71.04989	3.0
73.02914	22.0
78.73036	1.8
78.88286	2.3
79.05489	13.8
81.03427	20.8
81.07051	32.1
83.04980	3.2
83.08612	5.4
85.02898	14.9
85.06530	2.9
85.73058	2.3
87.04455	2.5
91.05470	19.8
93.07050	31.9
95.04935	8.5
95.08614	31.9
97.02919	2.6
97.10178	2.4
99.04456	100.0
103.99368	2.2
105.07029	15.1
107.04999	2.9
107.08590	18.9
109.10206	15.6
109.10831	2.0
111.04453	3.3
117.07017	12.0
119.08562	19.0
121.06541	4.7
121.10145	13.6
123.08073	4.2
125.09601	2.6
127.03902	4.6
129.05444	2.5
129.06976	3.2
131.08546	22.3
133.10155	18.8
135.08093	4.9
135.11708	9.3
137.09599	2.8
141.05504	4.5
143.08557	5.4
145.10136	20.8
147.08040	3.0
147.11693	15.1
149.09619	4.1
149.13257	8.7
157.10112	5.1
159.11707	11.8
161.09615	4.0
161.13306	4.7
161.70557	2.2
163.11259	2.6
163.14809	2.7
169.10109	5.1
171.11652	9.2
171.45911	2.1
173.13293	9.6
175.11177	3.1
183.11653	2.9
185.13266	4.3
187.14815	5.0
197.13326	3.2
207.11731	2.8
243.08626	10.5
259.20517	3.4
261.22147	5.1
261.76596	2.2
301.21561	3.3
303.23318	11.1
312.78833	2.3
345.24213	3.9
351.23154	10.0
369.24252	18.3
387.25174	14.4
405.26276	19.9
467.27988	10.1
485.28836	21.7
503.29977	29.4
521.31342	17.7
521.42670	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00660	1.2
53.03956	7.3
55.01886	2.9
55.05510	8.9
56.17387	1.6
57.03435	6.9
57.07083	1.7
59.69928	1.4
62.74744	1.4
63.30694	1.5
67.05513	26.9
69.03434	12.7
69.07077	11.8
70.65269	1.3
71.04988	6.6
73.02918	17.0
79.05499	23.6
79.93465	1.7
81.03426	28.2
81.07061	35.6
83.04982	6.2
83.08620	7.1
85.02914	17.2
85.06512	1.5
87.04459	3.6
91.05482	18.3
92.21323	2.1
93.07043	27.2
95.04967	8.7
95.08611	32.2
97.02882	6.2
97.06555	3.3
97.10171	3.7
99.04456	100.0
103.03956	2.5
105.07032	19.6
107.04916	2.7
107.08597	23.6
109.02905	2.9
109.06506	6.7
109.10155	15.3
111.04417	2.7
111.08064	2.1
117.06964	11.7
119.08598	23.1
121.06493	6.9
121.10140	19.0
123.11687	7.6
125.09583	2.0
127.03924	7.6
129.05531	2.3
129.07025	6.7
131.08559	18.9
133.06458	2.0
133.10127	15.4
135.08069	7.8
135.11702	8.6
137.06000	2.6
137.09627	2.9
139.11139	2.4
141.05486	7.7
141.06998	2.2
143.08554	8.3
145.10130	18.2
147.08066	2.1
147.11655	16.8
149.09633	3.9
149.13249	3.7
151.11096	2.9
155.08473	5.8
157.10132	8.9
159.08017	1.9
159.11668	15.1
161.09579	2.8
161.13283	7.7
163.11139	1.7
167.08482	2.1
169.10068	2.3
171.07997	2.3
171.11609	7.3
173.09593	3.2
173.13255	8.3
175.11143	3.2
175.14755	1.8
177.12720	2.0
181.10133	3.4
183.11661	6.2
185.13251	7.3
187.14761	2.8
191.14436	2.0
197.13307	3.4
199.11098	1.8
199.14728	3.2
203.14386	1.9
223.14781	2.0
243.08646	9.4
251.60205	1.9
258.43170	1.8
259.20538	3.3
261.22192	11.0
273.22095	3.1
275.23788	2.0
283.20276	1.8
285.22220	2.5
298.22241	1.7
303.23114	10.2
315.23303	2.6
319.22913	6.0
327.23257	3.1
331.22546	2.5
345.24246	2.9
351.22986	11.4
369.24084	15.9
387.25125	15.8
405.26404	14.2
409.33682	1.7
423.27325	2.4
467.27765	9.7
485.28931	24.2
503.29883	28.7
521.30737	14.8
533.49530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.4
54.63441	3.2
55.05516	6.6
56.74308	3.2
61.20116	3.0
67.05510	31.6
69.03413	17.0
69.07063	16.7
73.02900	8.3
78.10275	3.2
79.05495	20.7
81.03429	32.4
81.07069	53.0
83.08614	4.0
85.02917	18.7
86.92546	3.4
87.04466	3.8
91.05494	30.4
91.53642	3.7
93.07024	37.8
95.04980	7.6
95.08599	35.0
97.02883	4.2
97.10188	4.5
99.04459	100.0
104.92719	3.9
105.07037	28.9
107.08588	23.8
109.02849	6.2
109.10162	22.1
111.04491	4.4
111.08094	4.8
117.07015	17.2
119.08571	24.7
121.10136	30.6
123.08017	6.1
123.11666	5.9
127.03947	5.1
128.28363	3.4
129.07040	3.7
130.44423	3.5
131.08565	34.7
133.10110	25.5
135.11652	6.7
137.13231	3.7
145.06412	3.7
145.10114	27.7
147.08049	6.5
147.11687	20.5
149.09694	4.8
149.13258	6.2
157.10118	7.6
159.11678	9.4
161.09619	5.2
161.13327	5.9
163.11118	4.6
169.10104	7.6
171.11752	8.7
173.09615	4.1
173.13312	5.0
183.11664	5.9
185.13249	8.7
197.13304	5.8
211.01260	3.5
243.08627	7.9
259.20538	6.2
261.22153	4.9
303.23077	7.6
351.23148	15.7
369.24191	18.0
387.25217	6.9
405.26276	25.9
485.29169	31.4
503.29883	30.5
521.30829	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05513	46.4
57.03429	13.1
62.30576	2.8
64.48913	2.5
67.05509	44.4
69.03420	7.0
69.07059	13.9
74.17846	2.7
79.05486	38.7
81.07066	52.6
83.04980	13.8
83.08619	42.7
85.06547	3.0
91.05479	35.2
93.07034	54.9
95.08603	34.9
96.36717	3.0
97.10170	100.0
99.04459	4.4
100.45593	2.9
103.29670	2.6
105.07030	53.2
107.08598	54.2
109.10163	18.5
111.08043	4.5
116.40453	2.9
117.07016	6.9
119.08575	62.6
121.10157	26.1
121.31296	2.9
123.11723	3.5
125.09628	93.0
129.07025	2.8
131.08583	21.4
133.10130	47.6
135.08069	14.8
135.10751	2.9
135.11661	20.8
143.08600	12.9
145.10114	26.8
147.11691	64.2
147.12750	4.9
149.13269	17.8
153.09108	6.2
157.10132	7.2
158.24673	3.3
159.11697	20.1
161.13231	34.3
163.14879	4.4
171.10287	4.9
171.11684	20.0
173.13261	16.0
175.14796	16.4
185.13147	10.0
189.11208	40.4
227.12811	22.3
231.21043	3.9
241.19412	22.4
245.13808	66.6
259.20532	93.2
315.23328	3.9
333.24194	50.1
503.33914	45.1
521.34729	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11253	4.7
53.74963	4.8
54.23410	4.3
55.05511	39.8
67.05499	40.3
69.07089	8.5
79.05472	23.8
81.07057	37.4
83.08624	41.0
83.70448	5.3
85.06554	7.9
89.70990	5.5
90.62749	5.4
91.05479	33.5
92.41349	5.5
93.07042	48.6
95.04996	6.9
95.08595	30.1
97.10174	83.6
105.07022	50.1
107.08632	43.5
108.98093	6.4
109.10174	31.8
111.08043	6.6
117.07030	10.9
119.08575	53.2
121.10155	26.0
125.09625	71.2
125.42361	6.5
127.50344	6.3
131.08614	21.1
132.73402	6.2
133.10133	39.3
135.08038	9.3
135.11732	10.6
136.40994	6.0
145.10104	9.6
147.11693	30.4
149.13300	8.1
159.11676	10.0
161.13295	28.2
175.14729	8.4
185.13193	7.6
189.11179	36.0
196.93506	6.7
210.11147	7.2
227.12724	31.5
240.71190	6.3
241.19485	27.6
245.13855	70.2
249.40625	6.5
259.20502	66.2
284.03638	6.6
333.24222	39.0
336.12445	15.0
337.12866	8.5
338.13568	7.2
475.39282	8.4
503.33377	24.6
521.26923	41.9
521.34906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.03436	5.4
57.07081	61.7
59.51205	0.9
60.29747	1.1
61.02935	1.1
67.05508	14.8
67.25987	1.0
69.07066	13.6
71.08630	55.2
75.04496	1.5
81.07059	26.6
83.08617	15.8
85.10181	34.2
93.07020	2.3
95.08611	38.7
96.67519	0.9
97.10164	15.6
97.22049	1.1
103.07581	1.0
107.08617	1.6
109.10161	16.9
111.11711	6.6
121.10119	1.5
123.11710	9.5
133.10136	1.7
137.13222	2.1
222.50452	1.2
267.26825	23.0
285.27740	5.6
288.82465	1.3
341.30481	100.0
359.31516	19.6
495.34866	1.4
521.34503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74730	0.3
57.49206	0.3
81.56202	0.3
94.95785	0.3
97.33841	0.3
99.04527	0.8
101.37522	0.3
108.49689	0.3
111.22581	0.3
117.05556	0.4
209.64973	0.4
256.07648	0.7
259.06204	0.5
271.06354	0.7
272.07068	0.6
273.07944	2.0
274.08737	0.8
284.06989	0.5
285.07855	0.6
287.05716	5.3
288.06711	0.4
289.07443	1.9
292.09967	0.6
299.05801	1.3
300.06769	0.5
301.07251	7.2
301.09995	0.4
302.08118	9.2
303.09064	0.8
304.06268	0.6
304.09888	1.4
312.06592	0.4
314.07846	0.4
315.05304	8.0
316.05969	4.2
317.06738	3.4
318.07629	0.8
319.08322	2.6
320.09171	7.9
321.09555	1.4
322.10016	1.9
328.05844	1.4
329.06738	4.3
330.07584	19.8
331.08417	1.6
332.05399	0.8
332.09137	11.8
334.10678	3.0
335.11090	0.5
336.12286	3.1
337.12729	0.4
338.13818	0.7
342.07681	1.2
343.04681	1.2
343.08411	1.5
344.05557	3.4
345.06204	3.5
352.15781	0.5
357.06247	1.4
358.07092	17.9
359.07877	6.9
360.08667	21.4
364.20319	0.3
371.07864	0.5
372.05078	1.6
373.05783	12.3
376.08118	1.6
387.07404	0.4
388.08124	100.0
406.09210	3.3
456.80630	0.4
504.18430	3.7
522.13660	31.1
522.20355	4.6
549.94348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.1
64.00700	0.7
75.24395	0.6
82.53817	0.8
99.04459	1.4
155.12166	0.7
177.05478	1.6
177.35551	0.7
273.07849	1.5
286.08694	1.0
287.05759	4.8
292.09607	1.5
294.11011	0.8
301.07336	6.7
302.08240	8.0
315.05185	8.3
316.06161	3.2
317.06921	1.3
319.08374	4.8
320.09134	27.4
321.09717	0.9
322.10706	3.1
323.11398	2.9
328.05966	1.2
329.06778	3.5
330.07605	17.7
332.09171	10.6
334.10638	5.3
335.11295	1.0
336.12262	6.5
338.13840	9.1
344.05484	3.1
345.06396	2.8
358.07001	15.9
359.07715	7.6
360.08606	22.3
373.05850	11.3
388.08118	100.0
406.09183	3.1
504.18750	1.5
522.13831	31.9
522.21338	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	0.3
60.06052	0.3
67.10380	0.4
75.83086	0.4
78.00922	0.4
84.08134	0.5
85.02903	2.9
85.75166	0.4
97.02892	0.6
100.29246	0.4
111.71243	0.4
118.51522	0.4
127.03935	0.6
145.04930	0.4
163.03847	0.4
163.05991	0.5
177.65796	0.4
178.08661	0.5
260.27826	0.4
284.09125	7.9
285.09973	5.3
314.10214	23.5
325.11505	0.6
353.72479	0.4
360.10754	100.0
522.15979	42.9
522.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	0.3
60.06052	0.3
67.10380	0.4
75.83086	0.4
78.00922	0.4
84.08134	0.5
85.02903	2.9
85.75166	0.4
97.02892	0.6
100.29246	0.4
111.71243	0.4
118.51522	0.4
127.03935	0.6
145.04930	0.4
163.03847	0.4
163.05991	0.5
177.65796	0.4
178.08661	0.5
260.27826	0.4
284.09125	7.9
285.09973	5.3
314.10214	23.5
325.11505	0.6
353.72479	0.4
360.10754	100.0
522.15979	42.9
522.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
66.31180	0.7
73.02957	0.8
82.05491	0.7
85.02922	3.0
90.82252	0.8
91.05466	5.9
99.04422	0.8
100.78497	0.7
119.04946	20.7
119.05795	0.9
137.05951	3.4
147.04411	31.6
149.05942	0.9
151.07568	5.8
155.10143	0.8
157.04028	1.8
161.05960	3.6
164.07002	6.2
175.03896	100.0
175.14737	0.8
178.08644	4.8
179.07047	5.4
207.06514	89.1
220.09862	1.2
244.09656	1.5
248.44357	0.8
298.12701	0.8
307.19193	1.4
316.13803	10.6
411.78198	0.9
505.71848	1.0
522.19678	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02497	0.7
61.02935	0.9
68.28269	0.6
69.03437	3.1
70.16693	0.7
71.94573	0.7
74.30124	0.8
78.28918	0.7
85.02895	6.2
97.02905	1.8
99.04463	1.7
103.05482	10.7
107.08652	1.0
112.55222	0.7
127.03918	1.0
131.04924	87.4
137.06004	1.9
149.06030	5.5
150.06326	1.5
151.03998	1.3
151.07568	8.4
152.07954	3.2
153.08163	0.9
160.07599	0.8
163.07526	37.4
164.07045	1.4
167.07033	1.3
177.05553	1.5
178.08662	1.2
180.10193	1.8
190.08614	30.5
191.09038	19.5
192.10425	13.4
193.08656	3.7
193.10204	3.6
193.79640	1.0
195.08023	0.8
204.10417	1.1
208.09683	13.2
208.11400	0.8
209.10158	4.8
210.10324	1.8
211.07625	0.8
239.07262	0.8
250.09662	1.0
257.08197	0.8
271.09827	5.2
276.79456	0.9
277.08658	3.1
278.09076	4.0
279.06671	1.1
279.09436	4.4
283.09683	0.9
293.08154	1.8
314.13748	1.2
325.13126	1.0
329.13269	1.4
340.15585	1.9
341.15979	3.9
342.13016	27.8
342.17099	2.0
342.20898	6.9
358.16501	7.0
359.16910	5.8
360.14572	22.0
360.17795	11.3
392.13965	0.8
504.19849	1.1
504.26666	1.0
522.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80633	0.5
57.06742	0.5
58.15786	0.5
86.01045	0.5
99.04404	0.8
103.40308	0.5
104.34992	0.5
104.35651	0.6
121.06443	0.6
136.06148	0.7
155.67445	0.7
160.78163	0.6
292.09677	12.0
293.09949	0.6
294.11099	1.0
304.09589	1.3
306.07535	5.0
308.08994	0.8
320.09149	26.8
321.09943	35.6
322.10443	5.1
323.11386	7.2
330.07358	0.7
336.12283	100.0
337.12537	2.7
338.13785	21.0
358.06732	0.7
388.07892	4.2
389.96945	0.8
504.19839	0.8
522.20734	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.212
Annotation	C-3'-Hydroxyrocaglamide
Peak:m/z	Relative Intensity
51.61021	0.9
56.38832	0.8
59.37594	0.8
61.17398	1.1
63.81811	1.1
65.78385	0.8
72.54453	0.8
114.01385	1.2
129.81976	1.2
131.04941	1.6
134.98993	1.0
135.04413	2.0
148.07570	1.5
149.05960	15.4
161.05977	5.0
176.07063	95.5
177.05415	1.7
178.08562	8.5
205.29884	1.2
231.06549	4.8
251.10608	4.1
252.11568	1.3
253.12030	1.3
265.12265	4.3
279.10287	1.5
280.10855	15.2
281.11557	1.2
292.09659	1.2
293.11917	1.4
301.10110	1.2
302.42459	1.2
311.12650	7.3
320.09137	75.5
321.10645	1.5
323.11566	4.0
334.10602	5.0
336.12228	5.8
338.13739	11.8
348.05017	1.3
446.17307	2.0
504.20508	2.1
522.21100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61951	0.3
54.50678	0.3
62.52263	0.4
62.65189	0.3
65.46767	0.3
66.63773	0.3
66.75290	0.3
67.91959	0.4
69.57305	0.4
87.86974	0.4
89.66109	0.4
145.62613	0.4
159.08209	0.4
292.09607	4.0
294.11292	2.4
304.09656	0.5
306.07663	0.5
308.09076	0.9
318.07458	0.5
320.09155	100.0
321.09930	5.4
322.10550	3.2
323.11453	8.5
335.62299	0.5
336.12265	18.0
337.12552	2.3
338.13794	23.8
352.15234	0.7
388.07983	0.6
428.47961	0.5
497.68152	0.4
504.20020	3.7
522.20856	35.7
523.51282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61021	0.9
56.38832	0.8
59.37594	0.8
61.17398	1.1
63.81811	1.1
65.78385	0.8
72.54453	0.8
114.01385	1.2
129.81976	1.2
131.04941	1.6
134.98993	1.0
135.04413	2.0
148.07570	1.5
149.05960	15.4
161.05977	5.0
176.07063	95.5
177.05415	1.7
178.08562	8.5
205.29884	1.2
231.06549	4.8
251.10608	4.1
252.11568	1.3
253.12030	1.3
265.12265	4.3
279.10287	1.5
280.10855	15.2
281.11557	1.2
292.09659	1.2
293.11917	1.4
301.10110	1.2
302.42459	1.2
311.12650	7.3
320.09137	75.5
321.10645	1.5
323.11566	4.0
334.10602	5.0
336.12228	5.8
338.13739	11.8
348.05017	1.3
446.17307	2.0
504.20508	2.1
522.21100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2125
Annotation	C-3'-Hydroxyrocaglamide
Peak:m/z	Relative Intensity
51.27472	3.4
52.16551	3.9
54.20811	3.9
58.55116	3.7
70.07573	4.1
70.60983	4.0
71.33865	4.4
83.59476	4.3
145.35994	4.5
154.24570	4.7
234.74385	4.3
263.81876	4.6
276.41449	4.9
296.84775	4.7
320.09103	8.8
334.10840	5.4
338.13647	8.1
340.58972	4.9
344.09128	6.0
347.11661	6.4
358.11261	5.6
368.34708	5.6
376.08173	8.0
391.10397	100.0
392.11316	7.2
404.11298	25.4
430.20352	7.3
476.20789	24.8
504.20239	73.6
506.37476	5.0
520.92517	4.8
522.20850	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07891	0.9
51.46925	0.8
58.06607	12.3
63.20940	0.9
69.03418	1.8
73.02911	1.2
81.03418	4.9
85.02917	5.0
91.05483	2.4
95.46635	0.9
97.02901	1.6
108.89344	0.8
109.02877	1.2
109.21566	1.0
119.04932	8.9
119.08607	1.5
121.06518	1.5
123.03939	0.8
127.03973	1.1
133.10170	1.7
137.05977	1.7
145.10185	1.3
147.04446	11.8
149.05920	1.3
149.09708	1.2
161.05969	1.0
164.07077	2.4
173.05989	2.0
175.03905	50.2
175.14812	2.1
177.05525	1.2
187.14758	1.2
207.06523	100.0
257.87393	1.1
281.08066	3.4
289.18018	1.3
296.10416	12.0
298.10742	1.6
307.19073	4.7
315.08502	7.2
320.09027	2.0
321.09839	2.3
334.10770	1.5
336.12225	6.4
337.12601	3.9
351.10876	1.7
360.14261	1.5
369.11896	9.2
497.14819	1.3
522.21954	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	0.6
70.06575	0.9
75.82733	0.4
76.97161	0.4
77.58303	0.4
79.18594	0.5
82.36914	0.5
85.02901	2.9
86.09711	2.3
91.05476	0.7
93.07047	1.9
95.04984	0.5
103.05486	0.8
104.17282	0.5
112.08736	0.5
114.08486	0.4
121.06510	100.0
127.03924	2.2
132.10246	0.4
138.09158	30.2
138.10233	1.0
145.04968	0.7
180.08638	0.6
180.10225	2.3
195.12347	0.7
325.11371	0.5
346.70392	0.6
522.26910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91551	0.3
53.63392	0.3
56.58435	0.3
57.03429	0.4
69.03410	0.5
69.87612	0.3
81.03435	0.4
82.21886	0.3
85.02893	3.9
90.93488	0.3
97.02898	1.9
99.04440	1.4
103.05470	11.1
110.64841	0.3
123.04441	0.3
127.03949	0.5
131.04927	100.0
134.55618	0.4
137.05963	1.4
139.07010	0.4
142.08681	0.3
145.02831	0.4
149.05992	0.5
151.07501	0.5
163.07535	41.5
164.07092	0.6
167.07040	0.5
177.05484	0.7
178.08607	0.5
180.08853	0.4
188.07121	0.4
190.08694	2.5
191.09138	1.6
192.10062	1.8
206.08353	0.4
208.09715	0.7
271.09586	0.8
293.45258	0.4
342.13287	7.0
358.16721	0.4
360.14136	5.0
389.71164	0.4
522.19965	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64165	0.5
53.67453	0.5
81.07121	0.6
83.17529	0.6
149.44958	0.6
169.82082	0.6
190.08727	2.8
191.09344	0.8
192.10274	1.2
203.10789	2.9
204.10214	2.7
205.10960	6.5
206.11823	3.5
231.10124	9.8
257.08014	0.8
261.37280	0.7
273.14847	8.6
308.13028	2.6
319.08368	0.8
320.09274	0.8
320.12833	2.2
321.09937	1.5
322.10840	3.5
334.10840	1.2
336.12317	7.8
337.13074	11.1
338.13779	5.5
350.14020	0.9
352.15424	50.0
406.09244	0.7
448.21030	0.7
456.41641	0.6
476.24527	0.7
478.11179	1.1
510.74692	0.7
522.24994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64165	0.5
53.67453	0.5
81.07121	0.6
83.17529	0.6
149.44958	0.6
169.82082	0.6
190.08727	2.8
191.09344	0.8
192.10274	1.2
203.10789	2.9
204.10214	2.7
205.10960	6.5
206.11823	3.5
231.10124	9.8
257.08014	0.8
261.37280	0.7
273.14847	8.6
308.13028	2.6
319.08368	0.8
320.09274	0.8
320.12833	2.2
321.09937	1.5
322.10840	3.5
334.10840	1.2
336.12317	7.8
337.13074	11.1
338.13779	5.5
350.14020	0.9
352.15424	50.0
406.09244	0.7
448.21030	0.7
456.41641	0.6
476.24527	0.7
478.11179	1.1
510.74692	0.7
522.24994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24033	1.5
55.05524	13.4
55.05739	1.4
56.10138	1.4
57.03435	4.0
57.07092	3.1
57.95705	1.4
60.04533	14.3
62.11479	1.4
67.05508	42.6
69.07069	26.4
70.02955	3.2
79.05493	13.0
81.07059	48.0
83.08630	16.2
85.06547	2.5
88.03992	96.3
91.05492	7.8
93.06511	2.1
93.07022	16.5
95.08607	43.9
97.06517	3.9
97.10181	6.9
98.97848	2.1
98.98468	47.0
99.08116	2.3
101.41877	1.7
103.16046	1.9
105.07011	2.9
106.05029	46.5
107.08592	9.9
109.10130	19.6
119.08571	7.3
121.10143	10.7
123.11697	9.1
133.10124	8.3
135.11691	7.3
137.13243	2.7
147.11661	7.2
149.13214	2.6
149.71373	1.7
155.01025	24.4
161.13246	3.1
163.39987	1.8
173.02087	15.7
201.37114	2.0
245.22694	7.0
263.23743	17.5
288.89511	1.7
304.26364	2.2
337.27344	100.0
350.26706	12.6
417.23953	11.3
504.27234	18.1
522.28430	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47922	0.6
55.05517	10.5
57.03444	6.6
57.07079	1.5
67.05511	23.4
69.07073	18.7
71.08620	1.0
79.05493	5.9
81.07061	29.8
83.04980	1.1
83.08626	10.3
88.03999	5.6
91.05477	4.6
93.07037	7.7
95.04971	0.9
95.08607	23.5
97.06499	2.8
97.10165	7.2
98.98455	2.7
105.07016	3.8
107.08589	5.7
109.10171	10.7
119.08562	5.0
121.10135	3.9
123.11720	3.4
123.52597	0.6
133.10136	3.4
135.11646	1.3
137.09604	0.8
137.13231	1.2
147.11639	1.5
149.13255	0.9
173.02121	1.1
175.14723	0.7
260.05228	0.9
334.10666	1.4
337.27353	100.0
350.26907	1.6
358.40170	0.8
522.22168	1.4
522.28802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	15.1
57.03434	7.5
57.07081	2.5
60.04531	15.0
66.02542	1.5
66.48360	1.2
67.05510	44.9
69.07072	23.9
70.02959	3.3
78.83704	1.5
78.98359	1.6
79.05495	9.8
81.06615	2.6
81.07059	47.7
83.08620	14.2
88.03997	88.1
91.05468	7.4
91.85301	1.4
93.07039	17.2
95.08607	42.3
97.06521	3.3
97.10149	7.4
98.98470	51.6
101.06816	1.4
105.07038	6.0
106.05035	44.6
107.08591	10.5
109.10180	20.6
111.08092	1.6
119.08574	6.9
121.10139	13.5
123.11706	7.9
133.10133	8.3
135.11745	3.4
142.05067	1.6
147.11722	3.0
149.13243	2.8
155.01047	27.3
161.13313	3.7
163.14873	1.8
173.02142	14.4
175.14915	1.9
177.16293	1.7
198.21469	1.6
223.55548	1.7
245.22702	7.5
260.05234	2.7
263.23682	21.0
290.89938	1.6
337.27371	100.0
350.26929	8.5
386.37347	1.6
417.23874	10.8
504.27127	20.6
522.28156	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47922	0.6
55.05517	10.5
57.03444	6.6
57.07079	1.5
67.05511	23.4
69.07073	18.7
71.08620	1.0
79.05493	5.9
81.07061	29.8
83.04980	1.1
83.08626	10.3
88.03999	5.6
91.05477	4.6
93.07037	7.7
95.04971	0.9
95.08607	23.5
97.06499	2.8
97.10165	7.2
98.98455	2.7
105.07016	3.8
107.08589	5.7
109.10171	10.7
119.08562	5.0
121.10135	3.9
123.11720	3.4
123.52597	0.6
133.10136	3.4
135.11646	1.3
137.09604	0.8
137.13231	1.2
147.11639	1.5
149.13255	0.9
173.02121	1.1
175.14723	0.7
260.05228	0.9
334.10666	1.4
337.27353	100.0
350.26907	1.6
358.40170	0.8
522.22168	1.4
522.28802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62328	1.8
55.05517	16.7
57.03442	11.1
57.07082	3.8
60.04525	16.0
67.05514	44.0
67.64507	2.3
69.07076	18.3
70.02954	2.5
74.80762	2.4
79.05494	4.8
81.05694	2.4
81.07069	48.5
83.08620	13.9
85.28264	2.4
87.50639	2.4
88.03997	88.2
91.05489	11.4
93.07013	17.1
95.08613	43.8
97.06496	2.4
97.10159	10.9
97.88832	2.4
98.98480	41.6
105.07055	3.8
106.05026	37.7
107.08605	14.8
108.65758	2.4
109.06505	2.5
109.10149	16.4
111.08113	2.7
119.08619	3.1
119.79905	2.5
121.10162	12.5
123.11715	4.8
133.10123	4.6
135.11726	4.1
136.12175	2.5
137.13245	3.1
146.02185	2.3
147.11540	2.7
149.13210	4.1
155.01035	30.4
161.13274	3.9
173.02106	6.1
175.14893	3.1
176.07072	3.4
245.22690	4.1
263.23700	18.4
264.05927	2.5
336.12302	5.2
337.27350	100.0
350.26904	12.9
417.24106	18.4
504.27139	22.6
522.28503	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99223	4.5
54.12381	5.3
55.05516	13.1
55.90909	4.7
60.04543	10.5
67.05507	28.7
67.38735	4.9
69.07069	23.4
77.67893	4.9
79.05493	7.4
81.07054	46.5
83.08643	9.4
88.04001	97.8
93.07034	13.9
95.08609	43.4
98.97723	4.8
98.98447	41.3
106.05029	50.2
107.08601	8.4
109.10158	20.9
117.52553	6.1
121.10185	6.7
133.10155	5.9
148.37416	5.4
149.13367	6.0
155.01071	13.1
173.02119	7.0
174.91765	6.3
176.07076	34.0
195.93501	5.9
214.24268	6.2
245.22668	7.9
263.23636	24.5
292.58423	7.0
337.12723	8.2
337.27310	100.0
338.13098	7.7
350.26904	6.9
358.16580	6.7
363.73297	7.2
417.24066	10.1
504.27176	11.8
522.27942	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	12.0
57.03444	6.0
57.07086	4.0
60.04535	24.2
67.05513	37.8
69.07066	17.1
74.24135	2.6
74.62561	2.8
79.05508	7.0
81.07069	47.3
83.08633	15.5
88.03995	100.0
91.05482	3.9
93.07043	14.9
93.28650	2.8
95.08608	47.5
97.06528	5.3
97.10183	7.0
98.98469	47.6
101.13750	3.1
106.05050	51.8
107.08596	6.7
109.10162	16.8
119.08606	4.8
121.10161	12.7
122.36526	3.1
123.11684	6.2
133.10107	3.9
135.11662	5.0
147.11647	4.5
155.01050	23.3
173.02126	5.3
175.14868	4.1
250.11867	3.9
263.23709	18.4
323.11688	4.5
325.90381	3.0
336.12228	6.4
337.27332	90.4
338.13855	4.8
345.52396	3.3
350.26852	7.0
417.23984	6.7
504.27139	12.3
522.27686	16.9
537.07642	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87232	0.2
61.89217	0.2
63.06767	0.2
67.05507	0.3
75.35114	0.2
85.02885	0.2
88.33273	0.2
90.38177	0.2
93.29562	0.3
108.58562	0.2
121.06512	0.3
130.66747	0.2
136.06262	0.2
148.95062	0.3
176.10785	0.2
190.12334	1.1
201.85466	0.3
235.70378	0.3
260.87146	0.2
321.09814	1.0
322.10416	0.9
323.10675	0.4
334.10626	0.3
336.12195	2.7
337.12790	2.4
338.12827	3.0
368.25806	1.8
386.26968	2.0
448.30521	6.0
460.30377	0.3
490.28925	0.5
504.32657	0.5
522.34235	100.0
526.79236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87232	0.2
61.89217	0.2
63.06767	0.2
67.05507	0.3
75.35114	0.2
85.02885	0.2
88.33273	0.2
90.38177	0.2
93.29562	0.3
108.58562	0.2
121.06512	0.3
130.66747	0.2
136.06262	0.2
148.95062	0.3
176.10785	0.2
190.12334	1.1
201.85466	0.3
235.70378	0.3
260.87146	0.2
321.09814	1.0
322.10416	0.9
323.10675	0.4
334.10626	0.3
336.12195	2.7
337.12790	2.4
338.12827	3.0
368.25806	1.8
386.26968	2.0
448.30521	6.0
460.30377	0.3
490.28925	0.5
504.32657	0.5
522.34235	100.0
526.79236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63451	0.3
60.08168	4.2
62.14232	0.3
71.07362	0.8
83.08626	0.4
86.09706	19.9
86.26507	0.3
92.20930	0.5
94.81731	0.3
97.88056	0.4
101.46030	0.3
102.79454	0.4
104.10719	1.7
105.35500	0.3
124.78106	0.4
124.79089	0.4
125.00002	10.0
129.35756	0.4
142.78050	0.3
154.89761	0.4
163.41722	0.3
165.55954	0.4
184.07333	100.0
234.46107	0.4
312.76135	0.4
504.34561	1.5
522.35504	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
60.08167	11.5
60.88538	0.9
69.07070	1.3
71.07388	1.9
71.99607	0.9
81.07065	1.4
83.08583	1.2
86.09704	38.3
95.08591	1.2
96.42072	0.9
104.10743	87.8
108.34486	0.9
116.83992	1.1
124.99998	18.5
127.43123	0.8
184.07329	100.0
201.00261	1.1
254.37529	1.1
504.34485	5.6
515.64258	1.0
522.35529	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47623	0.3
60.08169	5.0
67.05497	0.6
69.07083	0.5
71.07373	0.5
73.10491	0.3
80.58633	0.3
86.09707	20.7
104.10745	2.2
115.40874	0.4
121.49949	0.4
125.00004	10.1
143.25250	0.3
184.07335	100.0
197.17654	0.4
202.72713	0.4
296.00293	0.4
307.97659	0.4
337.00421	0.4
504.34277	0.9
522.35547	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.2
60.08173	10.2
65.09422	0.8
68.12162	0.7
69.07074	0.8
69.69524	0.9
71.07379	1.3
83.08621	1.1
86.09711	33.1
87.65322	0.7
90.97682	0.7
95.08618	1.8
97.10149	0.8
104.10744	82.0
105.07050	1.9
125.00001	20.3
184.07336	100.0
200.76703	0.8
222.13139	1.0
259.17926	0.8
304.33743	0.9
347.60986	0.9
399.16348	1.0
471.05197	0.9
480.52792	1.1
504.34360	5.5
519.15491	0.9
522.35547	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24864	3.1
52.66785	2.9
55.05513	21.0
57.03437	6.0
57.07071	16.3
57.47984	3.6
60.08182	4.9
61.02941	4.5
67.05514	41.6
69.07066	54.0
71.08625	8.2
78.63368	3.3
79.05484	8.4
81.07069	53.4
83.01495	3.8
83.08630	51.9
83.69743	3.8
85.02886	6.8
85.06542	5.7
85.10196	8.0
85.25803	3.5
86.09708	20.8
87.41026	3.4
88.79276	2.9
93.07047	28.0
95.08611	66.0
97.06547	8.3
97.10166	37.3
104.10716	38.9
105.07048	4.8
107.08595	21.4
108.64574	3.7
109.10144	26.5
110.32101	3.7
111.11726	9.3
119.08508	5.0
121.10162	64.7
123.11707	8.3
125.00053	7.1
125.09644	8.3
135.11708	50.4
137.13251	14.5
139.11121	4.2
149.13272	21.9
151.14796	8.8
163.14841	4.9
184.07326	53.5
205.92847	3.6
233.22714	26.9
241.67442	3.5
251.23694	75.3
269.24753	14.9
325.27371	80.7
340.92783	3.8
343.28360	100.0
522.35547	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.3
69.07075	1.2
71.04996	3.3
72.49249	1.3
81.07050	3.4
86.09664	1.4
93.07037	3.5
95.08606	10.5
99.08121	1.6
105.07024	3.6
107.08588	23.2
109.10159	25.1
113.09659	1.9
119.08583	10.3
121.10149	13.4
123.08048	2.4
123.11697	2.7
125.09653	2.3
129.62115	1.3
131.08589	2.1
133.10121	8.1
135.08069	10.5
135.11691	3.6
137.09625	20.0
145.10109	6.9
147.08044	1.5
147.11687	18.7
149.09612	2.2
149.13330	2.4
151.11191	5.8
153.09152	2.6
157.10118	25.6
159.11705	5.9
160.72276	1.5
161.19765	1.5
163.11203	2.9
165.12688	2.3
169.10036	2.1
171.11652	1.6
172.65141	1.4
173.09560	1.8
173.13182	6.9
175.11160	15.5
175.14790	1.9
177.12704	2.2
183.11700	2.0
184.07365	3.6
184.09981	1.7
185.13321	6.8
187.11137	2.8
189.12746	3.0
191.14293	1.7
201.12700	1.6
201.16458	2.2
203.14365	2.6
213.16093	2.0
215.17996	8.4
217.15849	2.8
225.16362	15.2
233.18974	2.8
236.06322	1.7
243.17416	42.0
244.18190	2.0
261.18494	21.5
303.22974	2.5
313.21378	6.1
315.23129	2.3
331.22540	2.1
373.37314	1.6
383.25595	2.2
413.27011	1.7
433.31152	2.7
451.32108	26.0
469.33096	86.2
487.34192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57286	0.3
53.35957	0.3
54.84582	0.3
55.05509	0.4
56.05038	5.1
63.66843	0.4
67.05509	3.7
69.07063	2.8
71.08606	0.4
72.78268	0.4
79.05488	0.7
81.07048	2.3
83.08642	0.5
84.08119	0.3
91.05469	1.8
92.33854	0.4
93.07036	2.2
95.08594	3.2
96.08110	0.3
97.06516	0.4
107.08566	1.5
109.10157	8.9
109.20326	0.3
110.09713	0.4
111.08089	0.6
111.11720	0.6
111.72913	0.4
119.08601	2.7
125.09589	0.7
126.12829	0.5
134.09633	0.7
135.08075	0.6
135.11662	1.7
136.11226	4.3
137.09618	4.1
152.14355	1.5
153.12798	0.5
153.13863	4.1
154.12262	100.0
164.10680	0.4
171.14909	19.2
172.13295	0.6
176.77216	0.4
176.91740	0.4
196.16971	6.3
198.14940	1.5
213.19678	0.8
216.25958	0.3
254.02945	0.3
272.20013	5.0
277.21677	0.8
289.22739	9.3
290.21048	4.2
295.22800	0.7
306.25369	3.2
307.23767	48.1
319.08389	0.8
320.09152	1.9
321.09680	0.4
322.10803	0.5
324.26465	5.9
331.27289	0.8
332.25897	0.6
333.25397	0.6
334.10648	2.5
334.23700	3.3
335.26978	0.4
336.12204	1.5
338.13333	0.4
349.28577	4.8
352.24878	2.7
369.27499	0.7
446.04608	0.4
487.35593	0.5
504.37897	4.1
505.36667	0.8
512.69781	0.4
522.17212	2.2
522.38983	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	5.2
56.89579	0.5
60.95466	0.7
67.05492	3.3
69.07066	2.8
78.65446	0.6
80.50560	0.6
81.07082	1.1
91.05499	1.5
91.93315	0.8
93.07068	0.9
95.08617	0.9
109.10149	8.6
111.08070	0.8
111.11745	1.0
118.99334	0.6
119.08574	1.4
134.09578	0.8
136.11247	3.5
137.09608	5.4
147.90446	0.7
152.14377	1.4
153.13887	4.5
154.12267	100.0
164.10722	0.8
171.13457	1.0
171.14911	19.8
185.07375	0.6
196.16997	3.8
217.77734	0.7
239.06914	0.7
272.20096	3.8
289.22754	9.8
290.21216	5.0
306.25540	2.7
307.23782	48.5
320.09100	1.1
324.26428	4.9
334.23669	4.1
336.12259	1.2
349.28448	3.3
352.24863	3.1
469.34225	0.7
487.34778	1.1
504.37888	4.1
522.16492	0.9
522.38983	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.7
67.05499	2.5
69.07067	1.9
81.07056	1.7
83.08620	1.2
91.31190	1.1
93.07037	1.4
95.08608	2.4
95.91523	1.1
104.36765	1.1
107.08588	1.3
109.10169	11.3
119.08607	2.1
121.10149	1.7
135.11679	1.6
136.11211	2.5
137.09659	4.8
153.13867	2.9
154.12271	100.0
171.14906	18.0
196.16965	1.6
221.18990	1.4
239.20035	2.6
272.20059	1.7
289.22659	9.1
290.21063	2.1
306.25305	1.5
307.08392	2.4
307.23773	38.1
320.09164	6.2
322.10715	18.2
324.26361	5.7
334.23691	4.8
336.12317	6.5
349.28455	4.6
414.16299	1.2
504.37823	5.8
513.13330	1.4
522.17871	2.3
522.24396	6.0
522.38953	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2172
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
55.96017	1.4
57.97166	1.2
58.12437	1.3
60.89151	1.4
69.03432	12.1
70.81996	1.6
71.05004	2.3
81.03413	15.7
85.02908	12.9
91.05484	2.1
91.80561	1.7
95.04950	2.4
97.02890	3.3
99.04473	2.6
99.25432	1.5
103.05485	2.1
103.77917	1.8
105.18976	1.6
106.96770	1.6
107.04971	2.5
109.02895	3.3
111.04486	2.7
119.04919	11.0
120.59388	1.4
127.03907	6.8
129.07048	1.7
131.04936	12.7
133.06497	6.9
134.04329	1.5
137.05981	100.0
141.06955	1.7
145.06512	2.6
147.04398	33.4
147.08072	2.0
149.05984	8.2
151.07553	41.8
157.06479	3.2
161.05959	13.6
163.07549	17.3
165.09045	2.3
167.07022	3.8
168.69356	1.7
169.06506	3.0
171.08089	2.5
175.07541	21.3
175.32584	1.7
177.05418	11.7
177.09108	7.2
179.07057	27.7
185.06088	2.4
187.07524	6.3
189.09103	12.3
191.07060	11.8
191.10641	2.0
193.08640	6.5
195.08116	1.8
195.10089	2.9
197.05885	2.4
199.07500	2.9
201.09082	7.4
203.07034	9.5
203.10516	2.2
205.08597	2.5
207.10130	12.6
213.08928	2.2
215.07071	2.6
217.08611	6.2
225.11169	2.6
227.07143	2.6
229.08572	7.2
249.11157	2.9
263.08978	2.1
269.28192	1.7
273.11221	10.0
275.12814	2.1
291.12161	12.0
309.13187	2.1
323.11404	2.1
343.15344	7.6
512.08289	1.6
517.51837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05107	0.3
53.63765	0.3
56.05031	0.4
56.67579	0.3
57.47639	0.3
59.32966	0.3
75.50662	0.3
81.07042	0.4
85.02222	0.3
85.02740	0.3
99.00156	0.3
109.10138	0.6
111.04488	0.4
121.06477	0.4
136.11263	0.4
154.12271	9.4
155.12601	3.1
171.14935	1.8
172.15269	0.4
182.15350	0.6
182.33902	0.3
183.15718	1.3
229.07507	0.7
247.08447	0.4
282.00281	0.3
285.07587	3.7
285.10318	0.4
292.09683	8.7
304.09698	1.8
306.07651	2.9
307.23788	1.8
308.24146	2.5
320.09146	11.5
321.09967	28.4
334.10825	0.7
336.12299	100.0
337.12912	0.4
369.19443	2.4
387.20172	0.4
523.19208	2.0
523.27460	0.4
523.39178	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2455
Annotation	Sinensol F
Peak:m/z	Relative Intensity
55.05546	1.7
67.05500	10.6
69.07066	2.8
71.07996	1.7
73.55253	2.0
79.05473	3.4
81.07061	8.3
93.07033	3.2
95.08588	3.9
109.10168	10.0
119.95625	2.2
121.10118	3.3
147.11775	2.0
151.11185	4.0
176.67487	1.9
229.14473	2.7
277.21646	4.6
505.35477	21.8
523.24591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65951	2.7
53.03958	8.7
55.01864	3.3
55.05513	14.7
57.07089	3.6
67.05524	33.1
67.05824	4.3
69.03427	16.7
69.07069	6.6
71.04985	3.4
71.08616	4.5
73.02925	5.0
79.05495	15.9
81.03436	26.7
81.07055	43.3
83.04977	5.4
83.08614	6.4
84.81403	3.2
85.02885	16.1
91.05484	18.8
93.07029	24.7
95.04957	6.6
95.08620	32.1
97.02893	4.6
97.10157	4.6
99.04457	100.0
99.08086	3.3
105.07036	14.9
107.08591	16.8
109.06535	4.3
109.10169	17.4
111.04462	4.0
117.07006	5.3
119.08604	16.8
121.06506	3.7
121.10123	15.3
123.04318	3.2
123.11700	5.3
127.03831	4.0
127.93710	3.7
131.08578	21.4
133.10114	7.4
135.11607	5.3
137.13208	3.9
143.08565	5.8
145.06395	4.6
145.10207	10.7
146.88637	3.7
147.11691	7.1
149.13194	4.8
159.11627	4.1
173.13246	7.1
175.14714	5.1
175.65009	3.4
183.17380	3.5
235.54294	4.1
261.22003	3.9
283.24347	3.6
305.25104	5.9
307.63168	4.1
328.60345	3.7
329.24756	4.5
353.24728	8.2
371.25845	28.0
389.26761	20.7
407.27734	18.9
435.74124	4.3
469.29440	7.9
487.30811	27.0
505.31451	23.9
523.31848	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53204	4.3
53.03959	5.7
55.05516	26.1
55.97054	4.5
56.77448	4.0
57.02198	3.3
57.03422	5.9
57.07079	8.8
59.53556	3.7
67.05501	75.3
69.03442	36.5
69.07073	35.0
71.04992	5.7
73.02900	5.2
75.66908	3.8
79.05492	74.3
81.03413	28.2
81.07066	86.4
83.04966	7.1
83.08611	26.3
85.02901	36.5
85.06544	7.5
90.98244	4.9
91.05466	44.0
93.07049	100.0
95.04961	5.8
95.08601	76.2
97.02884	20.7
97.10149	9.3
99.04382	14.8
105.07030	85.1
107.04938	6.9
107.08600	75.9
109.02901	7.5
109.06473	5.8
109.10149	32.1
111.04446	4.8
115.03894	5.8
117.07008	37.0
117.60726	4.6
119.08582	85.8
119.44434	4.2
121.06516	10.7
121.10139	58.8
125.09603	7.1
127.03914	16.9
129.06953	9.5
131.08545	75.4
133.06447	5.6
133.10138	68.7
135.11691	49.4
138.03464	4.6
142.13666	4.4
142.64630	5.4
143.08514	33.6
143.17104	6.2
145.06479	5.0
145.10118	73.6
147.07968	8.2
147.11693	65.5
149.13322	39.8
155.08655	8.1
157.10127	35.7
159.08221	5.6
159.11676	69.5
161.09563	6.8
161.13274	40.9
163.14740	7.4
169.10130	23.3
171.11639	28.1
173.09541	4.9
173.13205	39.1
175.07549	5.2
175.11255	6.1
175.14815	7.4
181.10152	6.8
183.11716	8.7
185.13249	24.8
187.14801	20.2
189.12794	5.7
197.13269	7.4
199.14828	10.0
201.12781	6.4
211.14955	5.6
213.16371	8.8
235.16949	6.2
241.19460	5.9
257.18967	9.5
259.20496	52.3
261.22318	5.7
273.18365	5.2
275.20007	18.7
277.21594	19.4
292.71805	4.6
301.21548	21.2
313.21268	6.6
319.22141	5.5
324.16919	4.9
325.25253	7.2
339.23145	5.6
343.26178	31.1
361.27280	84.5
367.22565	27.5
385.23599	40.5
403.24738	54.4
421.25793	72.1
487.30402	26.6
505.31738	36.2
523.33246	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3264
Annotation	(24Z)-29-Hydroxy-24(28)-dehydromakisterone C
Peak:m/z	Relative Intensity
53.03955	16.1
53.10033	2.5
55.05513	19.3
57.07058	3.2
58.35656	2.9
67.05517	41.4
69.03429	15.4
69.07065	18.4
71.04982	6.5
71.08620	4.3
73.02919	5.5
79.05499	19.5
81.03429	34.8
81.07064	53.1
83.04980	5.0
83.08634	12.8
85.00307	3.9
85.02919	22.2
91.05508	6.4
92.20955	3.7
92.66837	3.3
93.07042	31.8
95.04991	14.0
95.08613	45.7
97.02927	4.4
97.10155	4.8
97.96476	3.7
99.04455	100.0
105.07019	19.6
107.04948	5.1
107.08612	24.1
109.06509	3.2
109.10178	21.7
111.04429	5.5
117.07047	16.5
119.08581	16.5
121.06457	8.0
121.10140	18.8
123.11685	4.5
125.09598	5.1
129.06982	4.5
131.08569	16.6
133.06421	3.2
133.10152	15.6
135.11678	14.8
141.05458	5.5
143.08554	7.0
145.06442	3.3
145.10115	15.7
147.08090	4.9
147.11656	16.1
149.13254	3.8
159.08144	3.5
159.11711	6.5
161.13251	14.9
171.11665	3.5
173.13225	5.3
179.14267	4.0
179.40234	3.4
187.14827	6.0
201.16344	3.8
223.13350	4.5
275.20190	3.8
275.23322	3.7
293.25015	4.3
321.24316	7.4
329.24753	7.7
343.26312	3.8
353.24719	8.1
371.25830	30.9
389.26794	25.7
407.28076	29.7
425.28650	4.2
469.29233	22.2
487.30716	32.7
491.53787	3.6
505.31308	52.2
523.32709	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15036	1.9
53.03949	5.0
55.01863	5.1
55.05521	17.4
57.03439	5.3
57.07076	5.5
67.05514	41.7
69.03446	18.5
69.07071	21.1
71.05003	5.7
71.08650	7.1
73.02901	3.7
79.05521	19.6
81.03423	37.2
81.07064	57.5
83.04998	4.8
83.08624	11.2
85.02911	22.2
91.05492	24.8
91.14434	2.4
93.07031	33.6
95.04980	15.6
95.08611	47.0
97.02898	2.9
97.06541	4.4
97.10175	5.3
99.03818	3.8
99.04460	100.0
103.85131	2.3
105.07076	18.2
107.04975	11.0
107.08599	23.7
109.06537	3.2
109.10151	23.0
111.04462	4.8
117.07006	16.5
119.08557	23.8
121.06510	11.6
121.10148	23.0
123.04424	3.2
123.11765	5.3
125.09601	3.1
127.03928	3.0
128.37256	2.5
129.07004	9.9
131.08560	27.0
133.06451	3.0
133.10133	13.9
135.08080	4.8
135.11687	14.5
137.13275	3.1
139.46759	2.7
141.05490	4.4
143.08543	11.3
145.06422	5.0
145.10150	19.8
147.08099	3.8
147.11705	12.8
149.09538	3.2
149.13220	10.2
151.11246	2.8
157.10229	4.6
159.11671	12.4
161.13295	12.1
163.11229	3.8
163.14799	5.9
171.08064	2.5
171.11687	10.4
173.13263	15.4
175.14861	4.8
177.12689	4.2
181.10161	3.5
182.15370	2.8
183.86952	2.7
185.09634	4.1
185.13228	4.9
187.14774	5.1
189.12747	3.8
192.39453	2.6
201.12749	5.1
201.16360	5.0
203.43997	2.7
261.22086	4.5
275.23471	3.0
287.23792	3.3
293.24673	3.3
299.97934	2.7
303.23245	4.4
305.24850	3.0
321.24390	3.6
329.24588	5.9
343.26117	3.8
347.25705	5.2
351.74728	3.4
353.24774	12.2
371.25845	31.4
389.26743	31.5
407.27805	25.2
469.29282	24.8
487.30750	32.8
505.31445	36.7
523.31940	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.9
55.05515	13.9
56.05322	1.5
57.03453	2.7
57.07079	3.8
67.05515	30.9
69.03439	21.5
69.07066	17.6
71.05001	3.2
71.08636	6.7
72.74431	1.6
73.02924	6.9
79.05492	19.8
81.03423	32.7
81.07061	51.0
82.78062	1.7
83.04986	7.7
83.08619	10.1
85.02898	21.3
85.06548	2.5
85.10175	1.9
87.04459	2.2
91.05476	18.6
91.79826	1.7
93.07048	29.9
95.04970	7.8
95.08602	35.0
95.61380	1.5
97.02875	7.0
97.06538	2.3
97.10181	7.3
99.04450	100.0
99.08075	3.4
103.03968	2.3
105.07044	21.8
107.04942	8.7
107.08598	20.7
109.02874	2.8
109.10158	21.4
111.04422	3.8
111.08001	2.6
117.07015	12.6
119.08604	21.5
121.06499	3.9
121.10160	14.0
123.04422	2.8
123.08065	2.3
123.11727	3.2
127.03912	4.1
129.05518	2.2
129.06979	7.0
131.08556	27.6
133.06499	2.3
133.10120	9.4
135.08061	3.3
135.11673	13.8
137.13269	1.9
141.05449	8.2
141.06996	1.9
143.08578	7.8
145.06516	2.9
145.10109	10.3
147.08043	8.1
147.11703	11.9
149.09633	3.3
149.13284	4.0
151.11258	2.6
155.08540	2.4
157.10135	7.9
159.08072	4.1
159.11687	12.1
161.09592	2.9
161.13293	8.5
163.11194	2.1
169.10101	2.7
171.11679	6.1
173.13269	9.5
175.14809	3.6
177.12796	3.3
177.16397	2.6
179.14259	2.3
187.14882	6.4
189.16447	2.8
191.14369	3.5
199.11147	2.3
201.16406	3.2
217.15880	2.0
221.15401	2.7
225.28482	1.7
229.15886	2.2
237.16414	1.8
243.08498	5.8
261.22028	2.9
263.23700	3.9
275.23721	3.1
287.23801	3.6
291.23135	3.4
293.24731	2.7
303.23132	7.6
305.25085	5.3
317.24847	2.8
318.07880	2.0
319.07675	2.7
321.24231	3.4
329.24664	7.3
343.26392	2.9
347.25784	2.6
353.24426	12.2
371.25690	36.2
389.26877	30.8
407.27954	22.8
425.28741	3.6
469.29572	14.9
487.30475	30.2
505.31525	42.0
523.32617	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01827	3.9
55.05518	11.0
57.03448	5.8
57.07046	6.9
63.28342	3.9
66.34905	4.4
67.05503	39.4
69.03428	27.2
69.07052	9.7
71.04998	5.0
79.05496	36.2
81.03397	10.8
81.07069	49.7
83.08603	7.8
85.02913	10.9
91.05479	24.7
93.07055	48.3
95.08591	34.8
97.02907	18.5
97.10148	5.9
99.04471	6.7
105.07045	44.5
107.08604	42.0
109.06519	5.1
109.10165	7.7
111.04429	7.7
117.07017	22.0
119.08575	43.8
121.10138	33.2
127.03945	6.1
129.05402	5.8
129.06958	6.3
131.08530	44.1
132.93889	4.7
133.10091	41.5
135.11707	30.4
143.08560	11.1
145.10141	55.4
147.11702	41.9
149.09732	5.8
149.13229	20.1
155.08499	6.3
157.10115	19.0
159.11703	31.4
159.79559	4.8
161.13225	23.2
169.10127	7.4
171.11699	10.7
173.13251	32.7
175.14819	9.3
181.10092	5.9
185.13187	10.2
197.13263	7.1
199.14894	9.4
248.66316	5.3
257.19003	9.9
259.20633	25.4
271.20755	7.8
275.20258	5.3
301.21420	8.2
339.23352	6.5
363.27057	5.5
367.22632	23.2
385.23642	42.9
403.24805	39.4
421.25897	100.0
505.31448	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.5
55.05514	13.2
57.03436	7.2
60.02126	5.0
67.05508	68.3
69.03427	37.5
69.07057	22.9
69.81198	5.3
79.05499	63.8
81.03429	33.2
81.07061	59.6
83.04984	10.4
83.08607	24.5
85.02903	38.6
91.05455	63.8
93.07050	85.9
95.04961	8.8
95.08607	59.5
97.02916	11.6
97.06530	9.8
97.10118	7.4
99.04458	22.3
105.07036	66.3
107.08589	86.2
109.10168	37.4
111.04427	9.4
111.08089	7.5
117.07014	24.9
119.08556	62.3
121.10130	44.2
123.11710	6.1
123.87602	6.9
127.03877	7.5
129.07040	7.1
129.34621	5.9
131.08571	50.3
133.10123	92.7
135.11685	41.0
141.09064	6.2
143.08594	25.8
145.10124	88.5
147.11665	62.5
147.87695	5.7
149.13275	27.4
157.10158	46.5
159.11674	78.8
161.13278	53.4
163.14780	7.0
169.10120	10.2
171.11668	30.5
173.13245	41.8
175.14731	15.0
183.11713	8.5
185.13266	29.7
187.14754	13.2
187.84593	6.3
194.14484	5.8
197.13229	11.6
199.14738	9.1
210.15421	5.4
224.69907	6.4
241.19637	8.3
259.20438	62.0
261.21997	9.4
275.19992	7.0
277.21732	9.9
297.96799	6.9
301.21674	12.3
343.26385	25.6
361.27322	39.4
367.22696	14.7
385.23755	44.8
403.24664	69.0
421.25858	100.0
487.30411	10.7
505.31281	41.7
523.32495	9.0
543.18970	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.05521	9.3
56.40127	5.0
57.07084	6.4
65.16885	5.3
66.98212	5.4
67.05516	59.6
69.03431	12.4
69.07060	12.3
73.02937	6.5
79.05497	50.9
81.03410	38.6
81.07063	61.4
82.52243	5.0
83.04996	11.1
83.08636	8.6
85.02917	23.7
91.05470	41.6
93.07061	71.3
95.04953	7.8
95.08630	45.1
95.09109	5.5
97.02878	11.1
99.04461	100.0
103.03923	11.0
105.07043	57.3
107.08590	39.5
109.10139	14.0
112.72166	6.7
117.07006	31.3
119.08575	65.2
121.10115	40.6
127.03905	7.4
129.06938	8.6
131.08554	62.4
133.10156	61.0
135.11731	47.6
143.08560	23.3
145.10097	49.2
147.11661	57.6
149.13242	32.7
155.08591	6.7
157.10168	25.7
159.11670	41.3
161.13281	33.0
171.11673	31.4
173.13254	31.7
175.14848	11.4
183.11653	12.0
185.13300	12.6
196.49753	7.1
197.13176	10.1
199.14857	7.3
241.19440	11.3
259.20496	55.2
277.21561	30.8
343.26263	12.7
361.27325	8.3
367.22580	13.9
385.23581	28.8
403.24728	50.8
421.25876	62.6
487.30615	24.1
523.27814	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.1
55.01878	3.0
55.05508	14.8
57.03431	5.9
57.07080	3.4
59.76696	2.5
66.24890	2.2
67.05511	37.7
69.03434	20.6
69.07074	22.6
71.05001	3.5
73.02895	3.6
79.05495	21.5
80.41635	2.4
81.03429	37.9
81.07062	61.7
83.04993	5.6
83.08607	16.5
85.02911	19.2
85.06568	2.4
87.04504	2.9
88.72446	2.3
91.05460	18.6
93.07050	39.6
95.04969	10.2
95.08605	42.7
97.02872	3.9
97.06553	5.2
97.10199	9.3
99.04457	100.0
103.03911	2.5
105.07037	21.8
106.97678	2.7
107.04939	3.4
107.08601	25.1
109.06538	4.2
109.10138	22.0
111.04422	3.1
117.07005	13.5
119.08582	23.8
121.06516	4.8
121.10117	22.9
123.08028	3.5
123.11719	6.3
127.03839	3.6
129.07018	9.4
131.08568	23.0
133.06573	2.8
133.10162	23.0
135.11687	12.9
141.05469	4.9
143.08557	10.7
143.33197	2.5
145.10170	13.2
147.11681	15.3
149.13272	11.2
151.11185	5.4
155.08620	2.5
157.10127	6.4
159.08006	3.4
159.11676	4.9
161.09723	2.8
161.13199	6.1
163.14771	2.9
169.10136	2.8
171.08018	2.7
171.11673	4.5
173.13216	4.8
175.14767	10.4
185.13277	3.4
187.14783	4.1
191.14337	3.4
197.13211	2.9
201.12891	2.9
201.16357	4.8
207.13744	3.4
211.14844	3.2
226.80516	2.8
303.23233	4.8
305.24582	3.1
305.69781	2.8
329.24655	5.2
335.82037	3.1
347.25778	3.4
353.24710	5.3
371.25708	24.1
373.49976	2.9
389.27136	22.0
407.27823	23.3
431.73697	2.5
469.29639	18.1
487.30450	26.6
505.31519	31.3
523.24799	32.2
523.31976	5.8
523.38885	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	36.8
55.84521	2.7
57.03437	12.1
57.07076	4.4
60.08146	3.1
60.21844	2.7
63.04687	2.6
65.09721	2.9
67.05502	56.0
68.30355	2.7
69.03425	7.4
69.07064	19.5
79.05495	39.6
81.07063	63.3
83.04952	3.0
83.08610	34.7
86.09695	18.9
91.05465	18.2
93.07043	56.6
95.08610	54.7
97.06467	4.4
97.10168	95.4
104.10765	34.8
105.07019	25.0
105.11080	5.0
107.08601	60.6
109.10153	35.4
109.73360	3.1
111.07999	3.8
119.08589	11.3
121.10148	31.3
123.11691	4.6
125.00004	5.7
125.09632	100.0
129.46706	3.3
131.08582	15.7
133.10120	14.2
135.08057	14.6
135.11678	28.4
145.10123	15.9
147.11682	17.3
149.13275	14.9
153.09135	3.3
159.11690	7.1
161.13237	6.2
163.14818	15.2
173.13269	13.7
184.07321	39.6
185.07713	11.8
187.14859	5.4
189.11188	47.1
198.14861	6.1
227.12737	66.1
243.21027	19.1
245.13800	73.9
261.22098	49.2
317.24747	3.6
335.25839	43.5
377.27939	3.8
431.30981	3.7
441.32104	3.1
463.49686	3.3
487.34109	16.8
505.35104	78.1
505.81259	3.1
523.35718	34.8
523.43652	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84246	1.5
62.68915	1.7
67.05505	2.1
71.29002	1.6
72.04891	1.4
74.73009	1.5
78.23518	1.4
81.07074	2.1
91.54184	1.5
95.08633	2.4
117.91675	1.7
174.37172	1.7
175.33026	1.6
209.63818	1.6
441.54736	1.9
523.36121	100.0
523.42584	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18459	2.6
55.05519	51.5
57.03436	18.2
57.45971	2.9
65.98055	2.7
67.05508	83.4
68.83154	3.2
69.03412	5.1
69.07059	20.4
71.94341	2.9
77.73453	3.1
79.05494	44.0
80.65037	2.9
81.07063	82.6
83.04974	7.0
83.08620	56.5
88.78096	3.1
89.61890	2.6
91.05487	13.9
93.07038	59.8
95.04977	5.9
95.08608	65.9
97.10167	100.0
99.04379	4.0
101.66241	2.8
105.07040	12.9
107.08597	58.6
109.10146	40.7
111.08057	4.4
117.07066	6.7
119.08577	23.7
121.06494	3.3
121.10140	42.7
123.11733	7.6
125.09623	94.6
131.08574	22.1
133.10133	28.2
133.17181	3.0
135.08051	13.3
135.11700	29.0
137.13240	5.4
145.10100	15.3
146.74344	3.6
147.11731	13.5
149.13252	19.9
152.14508	2.9
153.09099	3.8
159.11700	16.5
161.13232	3.9
163.11169	3.5
163.14832	5.4
169.10204	3.9
171.10152	6.0
173.13226	12.8
175.14813	4.5
187.14827	5.7
189.11201	40.7
198.14804	5.0
227.12776	55.1
243.21172	6.1
245.13824	71.2
261.22150	50.4
262.14722	3.3
279.23300	5.5
279.80258	3.0
335.25778	76.5
344.28568	4.2
487.34018	13.9
505.35336	71.9
523.36548	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3624
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
53.81653	2.5
55.05516	43.3
57.03444	5.0
57.07072	4.8
60.08153	3.3
67.05240	3.0
67.05508	56.3
69.03436	4.3
69.07058	21.2
75.67529	3.2
79.05495	41.5
81.07066	71.1
83.08620	44.4
86.09709	16.4
91.05470	22.9
93.07038	60.2
95.08604	61.4
97.10171	100.0
104.10736	22.1
105.06992	6.7
105.11086	3.9
107.08598	59.1
109.10145	23.9
111.08057	6.4
114.09205	3.4
117.06993	4.6
119.08566	23.1
121.10126	34.3
123.11722	4.8
125.00023	4.0
125.09622	82.8
131.08536	20.1
133.10120	6.8
135.07993	6.7
135.11694	31.0
137.13315	3.7
145.10147	6.7
145.89424	3.6
147.11751	5.9
149.13266	15.8
159.11699	5.2
160.55080	3.7
161.13268	6.7
163.11107	4.4
163.14835	12.6
173.13170	6.3
181.12285	4.1
181.64177	4.1
184.07312	44.4
185.07622	13.0
187.14836	6.8
189.11208	33.5
198.14830	8.3
213.22363	3.0
217.14359	3.9
227.12822	52.1
229.54828	3.4
243.21069	17.8
244.15434	16.0
245.13802	55.8
261.22150	59.2
279.23514	3.8
280.26349	7.6
309.05191	4.5
317.24902	6.2
319.89536	3.7
335.25705	33.1
388.60034	4.5
431.31979	3.7
487.33948	17.8
505.35278	81.1
505.42551	7.3
523.35724	34.1
523.41809	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03253	2.2
52.00504	2.0
53.33702	2.0
55.05522	43.3
57.03445	15.2
57.07082	3.4
58.40440	2.0
59.53940	2.2
66.73026	2.5
67.05175	3.9
67.05513	56.0
69.03430	6.0
69.07060	15.8
71.65212	2.0
79.05502	33.8
81.07065	78.4
81.80316	2.5
83.04986	3.3
83.08614	40.9
85.06555	3.7
87.77182	2.6
91.05480	15.5
92.21429	3.1
93.07047	51.2
95.08607	58.9
97.10172	100.0
105.07034	15.1
107.08600	70.0
109.10162	35.5
117.07014	13.5
119.08565	24.2
119.38750	2.8
121.10157	33.2
123.11727	17.4
125.09631	90.7
131.08594	12.0
133.10146	9.9
133.72141	2.6
135.08073	5.7
135.11725	22.6
137.13336	2.6
138.34155	2.4
145.10129	17.6
147.11728	8.7
149.13309	18.3
153.09074	3.6
159.11745	2.8
161.13272	6.2
163.14822	5.7
169.87901	2.7
171.10123	10.9
173.13327	10.4
187.14859	4.1
189.11227	37.6
201.16296	3.2
227.12769	60.9
243.21094	12.9
245.13832	73.3
261.22147	47.3
279.23096	4.2
289.52939	2.7
317.24948	4.9
335.25830	65.8
487.34256	12.7
505.28650	4.6
505.35297	72.1
523.36243	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39187	2.1
55.05519	37.8
56.68749	2.2
57.03439	13.8
66.02948	2.4
67.05508	66.1
69.03416	13.0
69.07063	15.6
74.33427	2.0
79.05489	32.0
81.03415	3.5
81.07072	66.7
83.04983	14.2
83.08606	36.2
90.62237	2.7
91.05492	14.5
93.07045	41.6
95.04987	2.8
95.08606	48.0
97.02926	2.9
97.10173	100.0
105.07060	22.6
107.04973	2.4
107.08600	49.1
107.31635	2.6
109.02872	2.8
109.10149	30.8
110.23542	2.6
111.08086	4.1
117.07019	5.1
119.08588	11.0
121.10161	27.7
123.11719	12.2
125.09628	83.0
128.52039	2.7
131.08571	17.0
133.10158	18.1
135.08064	10.1
135.11690	21.2
137.13300	3.5
145.10136	16.6
147.11682	13.3
149.13286	6.2
159.11665	10.9
160.49179	2.8
161.13258	5.1
163.14859	5.1
165.12746	6.0
171.10168	4.7
171.11549	4.1
173.13226	9.1
187.14755	4.3
189.11200	43.0
227.12758	50.8
227.14876	3.1
234.31178	2.9
242.16766	2.7
243.21075	10.3
245.13814	66.6
261.22144	39.2
279.23291	3.5
294.24332	5.1
335.25818	46.6
407.92023	2.5
416.47501	2.6
474.70279	2.7
487.34247	11.0
505.35455	43.6
523.36304	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
57.07072	5.6
61.82491	3.3
67.05500	29.3
69.07076	40.1
79.05492	14.0
81.07052	41.1
83.08617	20.1
91.53500	3.5
93.07049	13.6
93.87640	3.5
95.08589	26.9
97.06541	16.7
97.10176	18.9
100.07636	4.9
105.07088	5.0
107.08599	17.3
109.10153	31.0
111.08068	4.4
111.11643	4.4
114.09161	7.1
119.08526	6.1
121.10149	16.3
123.11710	4.4
125.09635	4.5
133.10123	15.8
135.11705	47.0
147.11716	4.4
152.14320	19.8
153.12697	35.0
170.15407	7.1
196.17024	4.1
198.14890	52.9
199.13391	7.1
217.14291	44.8
227.67523	4.4
244.15384	100.0
245.22568	4.3
263.23706	4.5
280.26453	41.4
308.29446	4.0
375.60242	4.7
436.31158	7.5
447.45795	4.8
499.27530	4.1
505.43030	5.1
514.32178	3.9
523.30237	22.0
523.37567	16.3
523.45251	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
53.60197	0.6
53.88367	0.6
55.05285	1.0
55.05524	21.2
55.22353	0.6
57.03433	0.6
57.07082	10.5
59.16479	0.7
61.03171	0.7
67.05518	16.4
69.07075	38.3
71.04993	1.8
71.08639	10.1
77.51553	0.8
79.05505	5.1
81.07067	32.1
83.04969	2.5
83.08137	0.9
83.08628	26.4
85.06551	7.2
85.10176	0.9
91.05498	5.3
93.07044	9.4
95.08609	32.2
97.06528	4.7
97.10178	18.3
99.04427	0.9
99.08106	9.2
105.07057	7.2
107.08586	8.5
109.10165	17.8
111.08091	3.1
111.11738	6.8
113.09666	0.8
119.08580	10.2
121.10166	9.4
123.08064	1.7
123.11707	7.3
125.09627	1.1
125.13290	0.9
126.16788	0.9
133.10129	11.7
135.11684	8.4
137.09621	1.9
137.13313	3.9
147.11659	7.0
149.13260	4.4
151.11215	3.5
151.14876	1.8
153.12769	1.4
161.13239	7.5
165.12779	1.8
175.14806	2.7
179.14291	1.2
193.19589	1.1
217.19554	6.1
235.20575	5.6
253.21683	5.0
271.22650	12.3
468.73474	0.9
505.42700	1.6
511.34048	0.9
518.43085	1.0
523.43567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	20.7
57.07082	8.2
63.29541	1.1
67.05513	16.6
68.53877	1.1
69.07076	41.3
71.08627	11.0
78.26331	1.2
79.05492	3.0
81.07057	31.1
81.07493	1.7
83.08630	22.8
85.06551	6.6
89.88663	1.0
91.05473	7.5
93.07059	9.4
95.08612	31.0
97.06558	5.7
97.10168	15.4
99.08099	8.5
100.07222	1.3
105.07037	7.7
107.08629	10.4
108.89894	1.2
109.10154	16.8
111.08131	1.4
111.11731	2.9
119.08623	9.0
121.10138	8.8
123.11722	8.3
129.53021	1.2
133.10132	13.1
135.11720	5.4
137.09641	1.9
137.13310	6.7
147.11705	9.9
149.13278	1.6
153.12694	1.6
161.13274	2.9
165.12772	2.1
168.42792	1.3
175.14954	2.4
209.89125	1.3
213.62386	1.3
217.19588	3.1
235.20616	6.8
253.21652	2.7
271.22662	13.2
371.15988	1.5
412.22165	1.4
523.43604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.9
57.07068	7.5
67.05514	13.0
69.07054	21.9
71.08627	6.2
74.96041	2.8
79.05488	4.1
81.07047	28.9
83.08624	21.3
93.07045	6.3
95.08596	27.1
97.06527	6.5
97.10175	14.6
100.07648	4.2
105.06997	4.8
107.08588	6.5
109.10176	14.5
111.03580	2.9
111.11707	3.7
121.10123	7.1
123.11716	3.7
125.09621	5.0
133.10127	6.0
135.11687	14.0
141.88828	3.0
151.11137	3.1
152.14310	13.3
153.12753	3.4
163.14809	6.6
170.11617	3.7
173.13220	4.1
180.17490	16.9
198.14900	71.9
216.15950	28.3
226.18021	100.0
244.19083	35.0
280.26382	18.3
308.29434	16.6
507.69162	3.7
523.44708	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69242	0.3
77.25667	0.3
79.43813	0.3
108.35047	0.3
134.27625	0.3
173.13136	0.3
231.93285	0.3
292.09564	3.9
320.09161	100.0
334.10541	0.3
524.11755	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74722	0.8
58.04945	0.8
67.45171	0.9
70.19231	1.1
83.06821	0.9
92.21011	1.6
141.97964	0.9
224.94786	1.1
292.09854	1.1
294.11087	1.1
320.09161	57.5
322.10739	2.1
334.10764	2.5
336.12210	4.7
338.13641	2.2
348.08655	100.0
349.09366	4.3
401.04523	1.0
408.10349	1.8
480.00226	1.1
524.15302	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51232	0.5
61.32442	0.5
86.03767	0.6
100.65401	0.6
137.06013	3.2
196.09254	0.7
217.06667	0.8
221.94829	0.6
266.10550	0.7
271.08459	0.7
278.08105	1.1
279.08969	1.0
283.91318	0.8
290.08170	0.8
291.08374	1.4
305.06683	1.0
306.07605	14.7
318.07690	4.0
319.08264	5.4
320.05801	6.7
320.08643	7.5
334.07074	7.1
334.10831	8.0
335.07898	40.2
335.11240	11.4
336.12421	1.1
350.10217	100.0
524.15540	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38384	0.7
84.06284	0.7
107.02202	0.7
119.04969	0.7
165.09097	4.9
307.08408	0.8
320.09229	5.5
321.09665	4.8
322.10165	1.6
324.08963	1.0
327.13367	1.5
334.10669	3.7
336.12231	5.4
338.13666	1.1
339.13370	3.6
347.07480	1.7
352.08142	100.0
367.10474	58.8
492.21152	1.0
524.14990	6.7
524.22937	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79884	0.7
51.92650	0.6
69.03437	4.0
70.06596	0.9
85.02901	7.8
87.04445	0.9
97.02839	2.0
99.74628	0.8
101.66922	0.8
107.04957	11.2
107.73723	1.1
109.02891	1.3
121.06483	4.0
127.03893	1.8
137.05966	3.6
144.26132	0.9
145.04901	1.4
148.03906	0.9
151.51189	0.8
164.07033	1.2
178.08559	1.0
179.01648	3.2
192.06464	1.0
193.03160	1.0
226.35983	0.9
226.52121	1.0
237.09024	1.0
238.05302	1.0
253.08583	4.7
254.04906	5.5
254.09349	100.0
273.53189	1.0
283.04242	5.1
285.05685	6.2
286.06561	5.0
299.07324	1.3
310.09323	1.1
327.06613	1.4
362.10413	10.5
362.17725	1.0
524.15765	88.0
524.22125	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	1.6
64.04958	1.2
70.84193	1.2
72.69124	1.1
76.16280	1.3
83.00550	1.2
86.57775	1.5
89.37551	1.1
91.05460	10.1
119.04942	14.3
137.06067	2.7
149.05983	71.3
192.21555	1.3
205.63173	1.4
223.26189	1.2
305.18845	1.3
319.08786	1.8
321.09860	1.4
324.08676	2.9
332.09213	1.8
338.10287	45.5
339.11142	19.7
347.07855	3.0
349.09671	1.4
362.10330	5.8
364.11780	3.0
366.09735	14.6
376.08008	1.8
380.11273	1.6
391.10437	6.2
392.11432	2.0
393.08197	1.9
408.10815	39.5
409.11581	45.2
422.12396	38.8
440.13461	23.9
447.16605	2.7
492.16589	35.3
522.98602	1.6
524.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10872	0.7
55.19239	0.7
55.27039	0.7
57.03426	0.7
59.74655	0.8
61.02934	1.9
69.03429	4.2
71.04969	1.0
73.02927	1.5
77.81952	0.8
80.12939	0.9
81.03452	1.8
82.81065	1.0
84.08148	1.1
85.02911	23.6
87.04477	1.5
88.47224	0.9
97.02906	6.9
99.04453	0.9
102.12301	1.0
103.05470	1.7
109.02869	1.4
123.04448	1.0
127.03899	4.9
129.10220	0.9
131.04930	26.0
132.05257	10.2
133.05576	2.0
137.05986	5.6
145.04988	4.3
163.07527	8.9
164.07867	4.3
165.05423	1.7
165.08138	1.3
167.07033	9.9
176.07045	1.1
178.08646	6.3
190.08623	1.7
194.08133	100.0
198.87337	0.9
208.09584	1.1
249.07487	1.5
286.06677	1.3
304.14725	1.0
342.20456	1.6
348.13879	0.9
356.13586	7.2
362.15933	5.2
487.71494	1.0
524.21338	45.9
524.28113	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58803	1.2
54.22795	1.2
58.06607	12.9
60.04548	1.4
61.02927	2.0
69.03433	10.2
69.37926	1.0
70.06599	1.0
70.87113	1.2
71.04985	1.0
73.58540	1.2
81.03436	5.2
85.02912	28.7
87.04465	1.2
91.03981	1.7
91.05506	1.2
91.07487	1.1
92.65546	1.2
97.02882	13.4
99.04499	1.7
103.05470	1.4
105.07062	2.5
107.04974	2.2
109.02901	2.0
119.04992	1.9
121.06496	1.5
123.04409	12.2
127.03947	3.1
131.04997	7.2
132.05730	4.6
133.06496	12.3
135.04395	11.1
137.05998	5.0
145.05005	1.8
145.06511	3.0
147.04430	1.9
149.06012	9.5
151.07617	4.9
152.07115	2.0
153.05490	1.7
160.05299	5.1
161.05977	55.6
161.07297	1.9
162.07645	1.3
163.07549	4.4
164.07158	1.2
165.05519	2.2
165.09021	1.4
167.07007	15.4
173.06068	5.4
177.05502	6.0
178.08722	4.9
179.07066	19.4
180.07799	19.7
181.05081	1.5
181.08618	12.0
182.09505	2.5
191.07034	61.5
191.08707	2.3
192.07811	100.0
193.08595	26.0
193.10161	1.2
205.08672	2.0
209.08231	4.8
210.08974	2.9
215.03990	1.2
237.09280	2.8
265.08548	1.7
283.09778	5.9
295.09656	12.8
297.11398	1.8
315.12302	13.8
320.65186	1.3
327.12238	19.0
345.13281	31.6
362.16028	78.5
391.23856	1.4
506.19968	2.5
521.85809	1.3
524.11261	2.6
524.21307	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14366	0.8
51.86066	0.7
52.26459	0.7
58.06596	0.8
62.35891	0.6
69.03442	5.1
70.06596	1.0
71.04996	1.4
81.03412	7.0
85.02914	5.4
87.04462	0.9
89.48052	0.8
93.63338	0.7
93.90760	0.9
97.02876	2.0
99.04446	35.5
99.05081	1.2
109.02850	2.7
121.06499	4.1
127.03909	1.4
128.07079	22.3
136.07619	3.6
137.05974	3.2
143.35812	0.8
149.05937	1.0
151.07567	5.3
163.03934	4.1
164.07278	0.9
170.54854	0.9
178.08618	100.0
180.10312	1.3
189.06966	0.8
262.10779	1.0
264.12268	18.2
438.17554	25.7
438.23053	1.3
488.17398	1.0
506.18784	1.4
524.21356	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04817	0.9
84.07534	1.2
91.05460	5.0
93.07048	4.8
103.05476	2.5
105.07098	1.6
107.04939	1.6
110.59649	1.4
117.03336	1.3
119.04929	10.9
121.06498	62.6
127.42989	1.0
133.02820	8.3
136.07539	1.8
137.05966	21.2
145.02849	29.8
147.04399	13.3
149.06003	7.4
150.06755	1.7
161.05962	5.7
162.06689	1.3
166.94699	1.1
173.05975	2.6
175.03839	7.8
177.05453	100.0
192.06523	15.8
201.05469	42.2
201.06950	1.4
213.05495	4.9
265.08578	2.2
305.08145	5.1
312.12277	29.2
314.13828	2.7
319.08401	4.6
320.09061	2.4
321.09225	1.4
325.10715	4.1
334.10532	2.8
336.12274	2.6
338.14072	1.7
355.11572	12.0
462.19012	16.7
492.20105	30.0
524.13263	2.1
524.23352	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31319	0.6
57.80289	0.6
74.76531	0.7
79.00409	0.5
81.07081	0.6
102.20294	0.6
118.80055	0.6
121.19471	0.5
170.41777	0.7
220.30223	0.6
260.39047	0.7
290.08109	5.1
302.08081	1.3
304.05984	4.8
318.07532	5.4
319.08377	30.1
320.08981	0.7
334.10712	100.0
352.19217	0.8
370.19803	2.1
425.66547	0.8
494.21591	1.3
524.25854	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11585	0.9
66.03712	0.8
104.10742	1.8
108.05339	0.9
108.89712	1.1
184.07332	1.6
186.05539	1.5
190.05029	3.6
200.07050	1.0
201.07855	1.4
210.11140	1.0
227.89865	1.2
240.82689	1.1
280.35178	1.1
320.09302	1.7
324.19690	6.3
334.10806	4.3
336.12299	5.1
339.10995	1.8
344.53238	1.0
352.12003	1.2
352.19174	4.8
370.20148	19.0
456.21695	1.8
463.23380	1.4
474.22702	8.0
491.23004	3.8
492.23868	12.6
494.21637	11.7
494.44092	1.2
506.25211	2.1
508.23221	1.4
509.24219	5.4
524.26459	100.0
524.38000	4.7
547.23865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2641
Annotation	19,20-Epoxycytochalasin Q
Peak:m/z	Relative Intensity
59.11585	0.9
66.03712	0.8
104.10742	1.8
108.05339	0.9
108.89712	1.1
184.07332	1.6
186.05539	1.5
190.05029	3.6
200.07050	1.0
201.07855	1.4
210.11140	1.0
227.89865	1.2
240.82689	1.1
280.35178	1.1
320.09302	1.7
324.19690	6.3
334.10806	4.3
336.12299	5.1
339.10995	1.8
344.53238	1.0
352.12003	1.2
352.19174	4.8
370.20148	19.0
456.21695	1.8
463.23380	1.4
474.22702	8.0
491.23004	3.8
492.23868	12.6
494.21637	11.7
494.44092	1.2
506.25211	2.1
508.23221	1.4
509.24219	5.4
524.26459	100.0
524.38000	4.7
547.23865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69526	0.7
64.89973	0.6
80.23492	0.6
91.05477	2.6
93.07053	7.2
103.05460	1.1
121.06499	72.6
217.61029	0.8
336.12515	0.8
340.26563	0.8
368.25848	9.1
386.26865	38.9
404.27905	38.0
524.33710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69526	0.7
64.89973	0.6
80.23492	0.6
91.05477	2.6
93.07053	7.2
103.05460	1.1
121.06499	72.6
217.61029	0.8
336.12515	0.8
340.26563	0.8
368.25848	9.1
386.26865	38.9
404.27905	38.0
524.33710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.7
57.03437	8.0
57.06826	3.8
57.07084	61.8
61.90640	1.9
67.05501	15.4
69.07076	13.2
71.08634	56.3
73.02934	2.1
75.04482	2.6
78.53059	1.9
78.71614	2.2
79.05479	3.9
81.07061	37.7
83.04977	2.4
83.08615	24.3
84.55851	2.2
85.02927	5.0
85.10187	38.4
93.07048	10.9
95.01341	3.3
95.08606	55.9
96.75277	2.1
97.02883	3.1
97.10186	21.3
99.04460	23.6
105.07036	3.4
107.08565	4.2
109.10162	34.0
113.02338	2.6
119.08568	2.3
121.10151	4.0
123.11698	12.7
131.08649	2.6
133.10120	5.1
135.11702	3.0
140.64658	2.2
141.01819	17.0
147.11717	3.7
173.53938	2.4
184.03429	2.1
197.11749	13.6
239.23682	16.8
257.24689	9.0
313.23630	3.5
313.27365	100.0
331.28415	83.5
336.26114	2.4
474.50507	2.3
489.30499	3.4
544.13397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	1-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.46722	0.6
51.57211	0.8
55.84803	0.6
57.07071	1.4
59.58572	0.6
60.08181	8.3
71.07392	1.4
71.08625	1.7
86.09708	35.2
89.97173	0.8
92.21479	1.2
104.10747	86.6
109.05384	0.8
119.74438	0.7
124.99998	15.5
140.92679	0.9
152.24089	0.9
163.01555	1.2
184.07335	100.0
190.73312	0.8
224.22144	0.8
228.03221	0.7
232.63388	0.8
341.30496	1.0
506.36017	5.1
524.37115	59.6
539.43518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
53.82389	0.7
53.82695	0.7
54.13287	0.8
55.05509	0.9
56.85651	0.7
60.08164	4.9
62.64269	0.8
67.86829	0.8
69.07083	1.2
72.60155	0.9
81.07041	1.0
83.08611	0.9
86.09704	23.3
95.08618	0.9
104.10720	1.8
107.08610	1.4
124.99995	12.6
142.55910	1.0
154.04967	0.9
184.07335	100.0
320.09180	17.7
524.37244	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11476	2.9
51.49940	2.7
53.75936	3.3
55.05517	8.0
55.67944	3.0
57.03449	5.7
57.07082	100.0
60.08149	5.8
67.05504	24.5
69.03431	6.2
69.07065	18.8
71.08635	91.4
71.54472	3.5
80.09192	3.6
81.03414	3.6
81.07056	50.7
83.08628	30.4
85.02911	14.9
85.10200	50.1
86.09696	17.1
95.08608	64.4
97.10159	36.5
99.04448	7.8
104.10749	40.5
109.10149	37.9
123.11707	20.0
124.99980	4.8
127.03923	6.5
184.07335	72.8
253.25243	22.8
271.26184	6.4
327.28897	95.3
345.30032	71.0
407.22226	18.1
415.30588	66.2
524.25055	76.2
524.36975	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44318	5.2
56.08437	5.8
57.07074	37.3
58.03168	6.3
71.08621	24.4
76.50548	5.7
77.70439	5.4
83.00025	6.2
83.34116	6.1
83.50986	5.4
85.10185	15.4
89.06030	100.0
89.34341	5.9
119.71755	6.4
133.08592	25.3
160.77156	6.6
193.45782	7.2
239.15012	7.6
283.17505	6.9
307.18036	7.0
507.42456	92.9
524.45581	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73776	1.6
53.19901	1.6
54.74500	1.5
55.83536	1.6
76.95815	1.5
99.04430	3.8
176.07030	2.5
320.05762	2.2
320.09171	2.9
321.06314	2.3
335.07800	8.3
336.08569	16.6
336.12177	3.9
337.12891	2.3
350.10233	32.9
375.31927	2.0
477.14249	8.5
479.12259	7.3
487.07938	2.0
491.12210	2.7
493.13934	18.1
495.11752	7.8
509.13480	15.6
525.16394	100.0
525.26721	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28794	0.5
58.06612	100.0
74.97955	0.5
76.03071	0.5
85.02882	0.7
88.95708	0.5
91.11270	0.5
92.52368	0.5
99.04475	2.6
110.43894	0.5
162.02173	0.5
193.05045	0.6
253.08713	0.7
258.36060	0.6
295.06161	2.2
327.08835	0.7
340.11905	0.8
360.81927	0.5
372.14435	33.9
397.94199	0.6
525.18738	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28794	0.5
58.06612	100.0
74.97955	0.5
76.03071	0.5
85.02882	0.7
88.95708	0.5
91.11270	0.5
92.52368	0.5
99.04475	2.6
110.43894	0.5
162.02173	0.5
193.05045	0.6
253.08713	0.7
258.36060	0.6
295.06161	2.2
327.08835	0.7
340.11905	0.8
360.81927	0.5
372.14435	33.9
397.94199	0.6
525.18738	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1966
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
53.03947	1.4
54.54809	0.2
55.05518	0.3
65.03942	0.3
69.03424	1.1
71.04970	0.3
81.03439	2.9
83.04991	2.3
85.02903	1.5
89.26276	0.2
91.05471	1.8
97.02878	1.6
99.04460	19.0
107.04926	0.3
109.02863	0.4
119.04939	7.2
123.47849	0.3
127.03916	1.3
145.04953	0.2
147.04411	100.0
165.05525	2.1
185.50455	0.2
241.84108	0.3
243.08775	0.5
247.09651	2.4
265.10654	4.0
273.07550	0.6
291.08585	0.6
308.48993	0.2
309.09564	0.3
389.12238	0.3
407.13293	1.7
507.18549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97531	1.0
74.19424	0.7
78.81757	0.8
84.40454	0.7
95.41640	0.8
217.08852	0.8
290.08047	1.2
305.10626	1.1
306.07697	4.2
306.11023	2.1
318.07858	1.8
319.08539	6.1
320.09229	5.4
321.10065	7.3
322.10727	3.4
323.11737	1.3
334.07034	2.9
334.10806	11.4
335.11560	6.4
336.12259	8.5
337.13028	1.1
349.09344	1.7
350.13907	11.5
467.15909	9.4
477.14600	0.9
479.16351	10.5
481.10501	1.0
481.17169	3.0
491.16104	4.6
493.17444	1.6
495.15485	16.3
497.13977	1.3
509.17102	29.4
510.17984	3.4
525.13574	4.7
525.20264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22366	0.5
53.03950	2.9
67.97820	0.5
68.56033	0.6
69.03426	3.8
70.06602	0.7
71.04997	1.2
75.91367	0.6
78.33170	0.6
81.03426	7.7
82.51319	0.6
84.08179	0.9
85.02524	0.5
85.02924	9.1
86.09684	0.7
94.32404	0.6
97.02888	4.1
99.04455	100.0
103.07568	0.6
106.44779	0.6
109.02894	2.5
117.05494	9.6
127.03911	4.0
128.98726	0.6
145.04955	3.6
162.06451	0.6
178.08586	0.8
189.64539	0.6
190.09489	0.6
192.07658	0.9
219.10168	1.3
220.10539	0.8
221.10497	0.6
229.10663	0.7
243.08580	1.0
248.17410	0.6
261.09708	10.0
345.15234	2.1
360.28055	0.6
507.20294	3.1
510.86557	0.7
525.22668	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73956	0.6
60.10469	0.5
66.93475	0.6
73.54677	0.6
81.07066	1.0
86.99720	0.7
90.74644	0.7
99.76417	0.7
115.55972	0.8
136.51305	0.7
182.44034	0.7
196.62477	0.7
198.45152	0.7
223.15155	0.8
234.21640	0.7
507.38715	7.7
525.33948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47120	1.4
67.05486	1.1
69.07056	1.8
72.47017	1.1
72.92286	1.2
81.07061	3.1
83.08615	1.3
95.08605	2.4
107.19785	1.3
109.26683	1.4
149.43526	1.5
194.84962	1.4
300.03455	1.4
320.09415	2.1
321.09610	2.1
339.01862	1.5
421.36765	1.7
489.42929	1.8
525.34003	100.0
525.46906	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3417
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
52.55779	5.3
53.03947	7.5
55.01908	5.0
55.05525	12.9
66.97334	5.8
67.05511	34.5
69.03436	9.0
69.07064	23.9
69.92638	5.6
75.18526	5.8
76.26680	5.6
79.05502	24.1
79.29722	5.4
81.03425	13.7
81.07056	64.6
83.08638	12.6
85.02921	5.6
85.63784	5.3
87.95983	5.3
91.05466	14.5
93.07040	46.3
95.08618	57.1
97.02904	9.2
97.10171	9.5
99.04459	100.0
103.03917	21.1
105.07038	41.3
107.08595	44.5
109.02850	7.5
109.06555	12.2
109.10159	40.3
119.08579	28.2
121.10120	30.2
123.08086	6.3
123.11700	7.5
127.03894	5.9
131.08589	24.8
133.10143	31.6
135.11658	11.8
137.09529	8.1
145.10129	24.4
147.11713	24.5
159.11684	23.4
160.12379	6.0
163.14824	9.7
165.37065	6.3
167.34851	5.4
169.89055	6.4
171.11710	7.7
175.14844	10.1
181.10237	6.4
229.07092	7.0
243.21106	9.9
251.16257	7.4
253.12607	6.5
261.22067	29.3
345.28052	47.2
363.28799	8.9
409.24438	6.6
489.32022	27.5
493.50836	6.5
507.33136	57.9
525.33899	10.8
532.44116	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55779	5.3
53.03947	7.5
55.01908	5.0
55.05525	12.9
66.97334	5.8
67.05511	34.5
69.03436	9.0
69.07064	23.9
69.92638	5.6
75.18526	5.8
76.26680	5.6
79.05502	24.1
79.29722	5.4
81.03425	13.7
81.07056	64.6
83.08638	12.6
85.02921	5.6
85.63784	5.3
87.95983	5.3
91.05466	14.5
93.07040	46.3
95.08618	57.1
97.02904	9.2
97.10171	9.5
99.04459	100.0
103.03917	21.1
105.07038	41.3
107.08595	44.5
109.02850	7.5
109.06555	12.2
109.10159	40.3
119.08579	28.2
121.10120	30.2
123.08086	6.3
123.11700	7.5
127.03894	5.9
131.08589	24.8
133.10143	31.6
135.11658	11.8
137.09529	8.1
145.10129	24.4
147.11713	24.5
159.11684	23.4
160.12379	6.0
163.14824	9.7
165.37065	6.3
167.34851	5.4
169.89055	6.4
171.11710	7.7
175.14844	10.1
181.10237	6.4
229.07092	7.0
243.21106	9.9
251.16257	7.4
253.12607	6.5
261.22067	29.3
345.28052	47.2
363.28799	8.9
409.24438	6.6
489.32022	27.5
493.50836	6.5
507.33136	57.9
525.33899	10.8
532.44116	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.1
57.07088	11.5
65.03938	4.8
67.05511	53.7
69.03413	11.8
69.07060	26.6
71.04994	6.5
79.05502	37.4
81.03425	35.6
81.07053	77.5
83.04990	7.8
83.08621	21.1
85.02903	8.5
91.05473	22.2
93.07025	70.4
95.04965	10.3
95.08598	80.0
96.89550	5.2
97.10151	7.6
105.07040	50.2
107.08588	55.0
109.06527	22.7
109.10150	42.8
111.04414	6.5
111.08122	5.7
115.03902	4.8
117.07004	7.4
119.08576	51.2
120.14570	4.6
121.06538	6.3
121.10146	46.4
123.08099	7.0
123.11731	11.1
123.72192	5.1
127.03908	8.1
129.07019	7.6
131.08548	38.7
133.10121	47.3
134.93953	5.8
135.11714	31.5
137.09637	5.8
143.08528	10.1
145.10143	49.0
147.08131	5.9
147.11691	44.9
149.13269	20.1
155.08492	5.6
157.10156	8.7
158.11159	6.1
159.11708	34.3
161.13263	26.5
165.12650	7.2
169.10143	7.3
171.11694	11.1
173.13237	19.7
175.14769	21.1
177.16280	6.2
179.14255	7.0
183.11743	5.0
185.13258	9.0
187.14839	9.2
187.96063	5.1
188.42822	5.0
189.16357	9.9
197.13257	6.1
199.14838	5.9
215.17999	6.6
217.19496	8.0
221.36394	5.7
243.21011	8.2
259.16333	5.3
259.20599	7.0
261.22098	12.6
277.21576	20.0
294.24493	7.9
327.26749	21.4
345.27847	54.0
363.28958	22.8
405.26590	11.4
466.62070	6.8
471.30994	12.5
489.32111	63.1
507.33218	100.0
525.34949	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36091	5.0
55.01880	10.7
55.05517	28.8
57.07079	7.0
57.32794	5.5
67.05514	56.8
69.03429	28.0
69.07055	36.9
79.05505	49.2
81.03406	13.9
81.07069	100.0
83.04952	9.3
83.08602	15.4
85.02909	13.7
85.06522	6.1
86.81026	6.7
86.91625	6.4
91.05475	28.1
93.07060	82.8
95.04986	10.5
95.08612	77.5
97.02872	10.3
97.06572	8.1
105.07038	30.6
107.08598	59.3
109.02856	7.3
109.06519	27.5
109.10155	40.9
111.04415	10.0
118.94322	6.1
119.08578	42.0
121.10155	41.5
123.11710	24.6
125.09567	6.8
127.03903	9.1
129.05478	6.8
129.07060	7.7
131.08594	35.9
133.10117	43.0
135.08037	8.7
135.11697	42.2
143.08592	10.8
145.10086	27.8
147.11670	15.4
153.09100	11.8
154.09424	10.6
157.10115	9.3
159.11676	25.0
161.13237	24.8
171.11757	7.9
173.13173	6.3
175.14819	6.1
185.13148	9.6
187.14857	8.8
189.12766	7.2
195.10168	51.1
196.10524	27.5
213.11119	9.2
214.11586	8.2
261.22049	12.4
261.93555	6.6
277.21613	13.1
278.22070	10.8
297.56107	6.2
341.24536	7.3
345.27957	13.6
387.25284	28.0
405.26184	28.5
423.27390	12.9
489.32150	7.0
507.32623	13.8
525.40057	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13133	10.5
55.05533	17.7
56.70763	10.5
57.03436	13.0
62.38870	12.9
64.48444	14.3
67.05498	87.4
69.03429	20.2
69.07082	29.8
73.92432	15.4
74.53111	12.7
79.05509	32.5
81.03424	18.3
81.07092	100.0
81.07502	13.1
91.05495	22.9
93.07032	75.6
95.08604	94.4
96.81574	14.9
99.04474	15.3
105.07034	27.2
107.08585	67.5
109.10156	74.3
119.08553	28.5
121.10155	54.4
123.04477	14.3
128.32315	15.7
131.08560	28.6
133.10172	44.4
135.11690	31.6
145.10077	32.3
147.11729	27.2
159.11658	25.6
173.13234	17.1
199.15092	15.0
244.68887	13.2
387.25174	20.5
401.41858	14.4
405.26218	28.2
423.27451	24.7
505.79410	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21478	6.3
69.01522	6.0
69.07048	7.5
71.04987	10.0
71.08621	16.9
75.31431	6.5
81.07051	11.2
81.93594	7.7
83.08619	7.7
95.08616	13.5
95.94749	6.5
97.10216	6.6
99.08102	29.0
167.30759	6.5
199.52252	7.1
271.22598	100.0
300.07529	8.3
368.69571	7.9
413.65280	7.9
525.49573	27.9
553.23395	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69653	0.7
190.05026	5.2
305.90186	0.8
307.05008	1.1
334.10983	1.5
335.04227	0.9
350.06586	100.0
365.08609	1.9
383.35730	0.8
480.10962	1.6
496.10217	15.0
511.12524	6.7
526.15045	58.0
534.69415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67384	1.8
63.00026	1.6
66.74545	1.5
79.75642	1.4
90.23365	1.8
102.76702	1.8
111.27249	1.7
141.75406	1.8
190.05063	2.0
213.05782	1.8
217.98254	1.7
275.26077	1.7
277.07336	2.5
279.06714	2.3
305.06830	3.0
306.07535	2.7
334.07202	6.5
336.12384	2.0
422.10400	3.4
424.11597	2.5
439.10464	4.1
440.11371	11.0
449.12836	8.0
450.09576	14.6
452.11243	9.7
454.12881	36.9
465.11969	2.3
467.14072	13.6
468.10815	31.3
478.08853	3.5
482.12415	38.0
483.13168	4.3
496.10498	4.3
497.14450	8.1
498.15436	81.4
526.14984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
61.01414	0.5
65.89841	0.5
67.91598	0.6
76.77799	0.6
85.02898	2.4
94.35986	0.6
95.17849	0.5
97.02914	1.2
99.04443	3.7
102.05588	0.6
103.05475	1.3
107.04935	0.8
120.08100	100.0
123.04418	0.6
131.04924	3.0
149.05952	2.5
166.08620	48.7
167.06998	4.2
167.37489	0.6
178.42398	0.6
255.75757	0.6
408.46832	0.7
427.78638	0.7
475.23157	0.5
526.20844	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
53.51572	1.6
55.27662	1.5
59.74653	1.7
69.03427	13.1
70.06600	2.3
81.03438	18.4
84.04494	2.2
85.02916	25.1
85.76865	2.0
86.06075	24.8
87.04465	19.8
96.04492	2.5
97.02900	31.3
98.06055	44.2
98.67516	2.0
99.04458	72.9
104.07128	7.7
108.04485	2.6
109.02892	11.6
116.07098	13.6
124.07618	3.1
126.05515	7.5
127.03926	15.7
128.07045	7.6
134.06027	2.7
140.07065	3.1
142.71762	2.2
144.06575	3.6
145.04930	2.4
148.07555	2.8
164.07077	9.3
166.08673	3.8
170.08101	3.2
176.07072	24.3
182.08162	25.3
194.08134	54.4
212.09244	26.9
230.10231	37.4
248.11276	44.3
314.12457	2.2
328.14124	20.0
346.15201	14.7
364.16022	4.3
472.17923	2.6
490.19168	11.7
508.20197	60.8
526.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01643	2.0
55.01884	35.9
59.39901	1.0
67.41669	1.0
69.03429	5.4
75.34544	1.1
76.87609	1.1
81.03432	6.1
83.19249	1.1
85.02924	1.1
86.60629	1.3
90.42535	1.4
97.02890	8.0
99.04465	29.7
109.02899	14.0
119.04935	4.7
125.02466	1.2
127.03914	11.4
134.64461	1.4
135.38547	1.4
147.04410	100.0
154.57274	1.2
165.05429	11.8
173.05904	2.6
191.07002	13.8
191.55733	1.3
193.51314	1.2
194.38693	1.1
199.06021	5.3
217.07062	2.7
245.08139	21.9
263.09195	12.7
309.09711	1.2
335.11005	1.6
371.11185	4.9
389.12354	11.2
407.13358	25.8
440.61374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68257	0.6
53.03952	1.0
54.57708	0.5
55.01883	36.5
62.07275	0.5
62.42671	0.5
69.03429	4.0
71.05009	0.7
73.02903	0.9
73.99035	0.5
74.87648	0.5
81.03415	6.3
81.86018	0.5
85.02893	3.4
87.04412	0.6
91.05468	0.9
97.02892	6.6
99.04461	33.7
99.73520	0.5
109.02883	13.0
119.04927	2.6
127.03907	10.7
147.04408	100.0
151.03906	0.5
165.05463	11.8
173.06015	2.9
191.07010	13.3
193.08627	1.1
196.27713	0.6
199.06061	6.4
206.86186	0.6
211.09605	0.6
214.09224	0.6
217.07060	4.4
245.08073	18.3
261.51309	0.6
263.09152	11.5
283.11801	1.0
309.09573	1.2
335.11230	2.3
336.12195	0.7
371.11407	2.8
389.12299	9.9
407.13388	28.2
413.20001	0.8
425.15186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80836	0.3
55.20429	0.3
58.06590	0.3
70.06579	1.2
75.71154	0.3
79.91164	0.4
86.09666	0.3
91.05444	0.4
92.20968	0.3
119.04910	1.4
120.08085	0.4
120.67556	0.3
121.06471	0.4
133.02847	0.8
133.51990	0.4
137.05995	5.7
143.04916	3.0
147.04398	1.6
151.07570	2.8
161.06017	1.5
163.07532	0.5
175.07549	4.8
177.07811	4.4
178.08614	0.4
179.09453	0.4
189.89658	0.4
190.08678	0.5
192.10201	100.0
237.09210	0.6
253.08499	0.4
265.08606	1.4
285.11331	0.4
286.12125	0.6
307.95602	0.4
320.09259	3.2
322.10684	1.3
369.54248	0.4
388.17612	0.6
466.15234	0.6
478.22247	0.5
493.77634	0.4
508.23358	2.0
526.17627	2.3
526.24402	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56065	0.3
69.03405	0.5
70.06581	0.6
72.08156	0.5
78.08504	0.3
85.02921	0.4
86.52679	0.3
88.74570	0.4
91.05408	0.4
99.04453	2.8
101.39163	0.3
115.94117	0.4
116.63361	0.3
119.04916	1.7
121.06478	2.0
127.03946	0.4
133.02837	0.9
137.05984	7.9
143.04924	4.3
147.04385	2.6
149.06009	0.5
151.07550	3.3
160.07547	0.5
161.05957	1.6
163.07538	0.6
164.07074	0.7
173.08397	0.3
175.07503	5.1
177.05370	0.4
177.07867	4.4
177.09227	0.6
192.10197	100.0
198.69542	0.4
205.08588	0.7
227.10741	0.5
233.06183	0.4
235.07527	0.4
237.09232	0.5
253.08488	0.5
261.09763	0.4
265.08667	1.6
267.10205	0.7
267.17587	0.4
285.11316	0.7
286.12051	0.6
322.11612	0.4
388.17722	0.8
478.22028	0.6
483.60333	0.4
508.23080	1.6
526.24438	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2436
Annotation	Mer-WF-1726
Peak:m/z	Relative Intensity
58.06583	0.3
69.72059	0.2
70.06567	1.3
72.08128	0.3
77.10436	0.2
77.72014	0.2
86.09679	0.4
91.05463	0.3
95.04952	0.3
97.02870	0.3
99.04417	0.4
104.23064	0.2
105.06966	0.3
109.06514	0.2
110.44244	0.2
115.05421	0.3
116.39769	0.3
119.04953	2.0
120.08080	0.9
121.06500	1.0
131.04930	0.2
132.08083	0.3
133.02789	1.2
137.05978	9.6
143.04935	5.6
147.04425	2.7
148.04779	0.3
149.05940	0.4
151.07527	2.8
160.05177	0.3
160.07565	0.3
161.05972	1.5
163.07521	0.9
175.07550	5.7
176.10736	0.3
177.07820	4.4
178.08655	0.4
179.07108	0.3
190.08577	0.4
191.07021	0.2
191.09378	0.9
192.10191	100.0
193.25847	0.2
204.10306	0.3
207.08157	0.4
217.84122	0.2
221.05975	0.4
225.09091	0.3
227.10646	0.4
233.05937	0.3
235.07562	0.2
237.09087	0.9
239.10677	0.3
253.08603	0.5
255.10217	0.4
265.08511	2.1
266.09238	0.3
267.10373	0.8
269.11572	0.2
285.11304	1.2
286.12119	0.9
297.11240	0.9
299.12720	0.4
320.09152	0.5
322.11008	0.4
328.15448	0.4
329.16315	0.4
339.12820	0.3
388.17624	3.0
478.22180	0.9
508.23184	1.4
526.24451	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56065	0.3
69.03405	0.5
70.06581	0.6
72.08156	0.5
78.08504	0.3
85.02921	0.4
86.52679	0.3
88.74570	0.4
91.05408	0.4
99.04453	2.8
101.39163	0.3
115.94117	0.4
116.63361	0.3
119.04916	1.7
121.06478	2.0
127.03946	0.4
133.02837	0.9
137.05984	7.9
143.04924	4.3
147.04385	2.6
149.06009	0.5
151.07550	3.3
160.07547	0.5
161.05957	1.6
163.07538	0.6
164.07074	0.7
173.08397	0.3
175.07503	5.1
177.05370	0.4
177.07867	4.4
177.09227	0.6
192.10197	100.0
198.69542	0.4
205.08588	0.7
227.10741	0.5
233.06183	0.4
235.07527	0.4
237.09232	0.5
253.08488	0.5
261.09763	0.4
265.08667	1.6
267.10205	0.7
267.17587	0.4
285.11316	0.7
286.12051	0.6
322.11612	0.4
388.17722	0.8
478.22028	0.6
483.60333	0.4
508.23080	1.6
526.24438	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65523	1.9
55.01867	2.8
55.05520	2.6
57.03454	2.0
67.05500	13.0
69.03436	9.1
69.07064	4.1
69.64035	1.7
70.06602	4.9
79.05492	12.5
79.49688	2.1
81.03419	12.0
81.07073	17.8
83.04950	2.1
83.08607	4.3
84.04517	2.7
85.02899	4.1
86.06066	36.6
87.04464	30.8
88.55363	2.0
91.05477	3.3
93.07052	19.3
95.08589	15.5
96.04488	4.7
97.02924	19.3
98.06058	60.3
99.04436	2.7
100.07652	2.3
104.07097	4.4
104.34994	2.0
105.07021	5.0
107.08586	12.0
108.04488	4.3
109.02906	4.6
109.10171	7.9
116.07081	10.3
117.06969	2.1
121.10132	5.2
124.07586	4.6
125.04784	4.4
126.05529	15.6
128.07071	17.5
134.05899	2.6
135.11752	3.0
138.09140	4.9
140.07074	5.3
144.06567	2.5
146.08199	3.2
147.11700	3.3
148.07579	9.4
150.60019	2.1
152.07069	3.6
164.07076	10.6
166.08650	12.3
170.08073	2.4
170.15477	2.1
175.00255	2.4
176.06969	15.4
182.08105	20.3
194.08157	46.8
200.09171	2.5
201.49405	2.3
212.09134	28.5
230.10207	18.1
248.11305	13.0
277.21616	9.2
278.21735	3.7
294.24249	2.4
297.26389	2.1
358.07690	2.5
451.99823	2.3
490.31705	27.4
508.32742	100.0
526.25763	3.1
526.33588	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3372
Annotation	Tumonoic Acid B
Peak:m/z	Relative Intensity
50.23980	1.6
55.05500	2.7
65.70583	1.9
67.05515	15.3
69.03424	3.1
69.07053	4.6
70.06598	3.4
70.97217	1.8
72.04557	2.0
73.47978	1.7
75.85961	1.9
79.05499	17.0
81.03409	11.5
81.07057	11.1
84.04511	2.5
85.02910	4.9
86.06060	32.2
87.04474	31.1
90.27682	1.9
91.05453	2.0
93.07050	20.6
95.08606	13.3
96.04504	3.8
97.02892	16.8
98.06064	51.6
104.07103	4.0
104.10751	4.3
105.07031	7.5
107.08614	11.6
108.04485	4.2
109.02895	4.8
109.10147	3.6
110.06049	2.2
112.07558	3.6
116.07051	8.2
117.06963	2.2
121.10148	10.3
125.04751	3.8
126.05526	12.2
127.03900	2.0
128.07051	15.4
129.29904	2.4
133.10121	2.9
134.05978	2.8
135.11745	3.1
136.07561	2.4
138.09145	8.4
140.07042	4.6
144.06627	2.5
146.08130	2.7
148.07559	8.5
152.07063	4.5
164.07060	3.7
166.08609	13.3
176.07076	12.9
182.08159	16.0
184.07295	2.5
194.08121	34.6
212.09125	17.9
222.35034	2.1
230.10120	17.3
248.11336	10.8
259.73349	2.2
277.21548	9.6
490.31589	24.2
508.32739	100.0
526.33569	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95601	2.5
53.03952	2.9
55.05526	3.6
57.07096	4.0
65.50249	3.0
67.05503	18.4
69.03429	14.5
69.07085	3.5
71.08611	2.9
72.35274	2.6
73.02908	6.2
79.05479	4.4
81.03417	5.4
81.07072	35.6
83.08603	4.5
89.06032	4.0
91.05479	4.4
93.07042	19.5
95.08622	27.5
96.56715	2.9
97.02899	100.0
99.04458	83.4
102.29092	2.9
105.07054	5.2
107.08605	13.6
109.10165	12.9
115.03934	18.2
119.08565	4.7
121.10146	7.2
123.11658	3.4
127.76037	3.2
129.53563	3.1
131.08568	4.7
133.04974	75.7
133.10176	2.9
135.11716	4.6
135.95351	3.2
145.10213	7.5
149.13211	6.1
153.09142	3.5
168.17181	3.6
173.13239	5.0
178.33127	3.3
195.10147	4.7
213.07648	23.4
231.08781	4.5
242.91957	3.4
243.21172	5.7
249.11057	3.6
261.22174	31.7
267.58575	3.0
276.88678	3.1
279.23355	6.3
336.12143	4.5
376.06033	3.2
393.26590	5.0
491.29706	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08601	2.1
80.70921	2.2
85.99158	2.3
88.65472	2.1
89.06028	100.0
104.06944	2.4
111.97180	2.5
133.08585	30.7
177.11191	2.8
223.42032	2.1
327.20108	71.2
375.33224	2.7
415.87964	2.3
425.01770	2.5
455.79654	2.4
509.40369	3.9
526.43097	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	2.7
58.06610	0.8
58.72305	0.7
62.06095	3.6
68.36887	0.6
70.48290	0.6
71.08630	0.9
72.29559	0.6
73.01025	0.6
93.07047	0.6
107.08633	0.7
119.08567	1.0
121.06535	1.0
133.39801	0.6
145.08574	0.6
167.91656	0.8
182.54327	0.7
190.05229	0.7
212.23744	3.9
230.24783	100.0
238.37390	0.8
291.15292	0.6
326.90958	0.7
338.10110	1.3
397.45828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1581
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
53.60373	0.4
69.01080	0.4
70.60157	0.4
73.17918	0.5
74.38300	0.5
78.98860	0.5
103.66792	0.5
116.44589	0.6
149.58499	0.5
185.04185	16.3
185.05856	0.6
203.05243	23.8
222.38017	0.6
279.92123	0.6
305.08279	2.1
347.09512	9.5
365.10526	75.0
527.15814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1731
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
58.06606	4.8
70.06604	1.2
72.08157	1.2
76.21872	0.9
91.94273	0.8
92.20992	1.5
92.68016	0.8
99.04467	4.9
121.06521	3.7
147.04489	1.6
160.39310	0.9
163.03868	1.8
174.67368	0.9
175.07545	1.0
192.10197	17.8
193.10509	13.7
207.06599	1.0
225.09589	1.1
287.51398	1.0
347.00165	1.0
527.17407	100.0
527.24799	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1738
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
50.58300	0.5
56.50199	0.6
60.56502	0.6
98.98312	0.8
149.86679	0.8
188.07111	0.8
205.04713	21.5
205.06459	1.2
266.07657	0.9
267.08423	6.9
277.40836	0.8
283.07953	3.6
305.40341	0.8
435.12433	0.8
527.17450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1732
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
53.94655	0.5
59.72933	0.4
70.06604	0.5
83.96755	0.5
92.39985	0.5
105.57758	0.5
122.41405	0.5
127.43531	0.5
140.23851	0.5
176.54704	0.5
182.47736	0.5
283.07996	1.8
349.24475	0.5
391.81818	0.5
426.94577	0.6
509.16180	3.9
527.17371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72597	0.9
53.03956	5.7
53.74982	0.8
67.10527	0.9
69.03423	7.1
71.05009	1.6
71.12540	0.8
73.02921	24.8
79.05492	11.3
81.02979	1.4
81.03413	11.3
81.07063	41.9
82.70814	0.9
85.02900	1.7
87.04452	2.1
97.02894	12.8
99.04458	100.0
100.09220	0.9
109.02866	14.7
115.03923	5.7
125.05989	42.2
127.03909	22.2
145.04982	1.6
153.05452	32.3
171.06529	14.2
200.42111	1.3
215.11870	1.1
225.07594	11.9
243.08638	19.6
257.70139	0.9
266.05240	1.0
269.10226	2.0
377.11877	1.9
395.13409	14.7
407.40579	1.1
527.19525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17692	0.5
83.76041	0.6
89.89951	0.6
90.45993	0.6
147.28365	0.6
164.11026	0.7
194.22530	0.6
198.47437	0.6
223.99759	0.6
451.12668	0.7
453.10956	0.9
466.15244	1.1
468.13376	0.9
469.14014	6.3
477.14804	0.9
479.12613	1.2
483.15573	21.3
493.13916	2.7
494.14832	1.0
495.15579	11.0
496.12439	2.5
497.13412	25.3
511.08926	0.9
511.14969	43.5
512.15869	11.6
527.18134	100.0
549.22278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70339	0.5
61.96659	0.5
72.76903	0.5
73.34513	0.5
74.96864	0.5
91.40319	0.6
96.14290	0.6
166.22693	0.5
227.07431	0.6
239.83331	0.6
290.08072	9.9
302.08188	3.6
304.06049	9.3
318.07581	12.0
319.08392	52.9
334.10721	100.0
395.83932	0.6
403.33133	0.7
527.18109	42.2
552.98438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01564	0.5
54.29101	0.4
61.24213	0.7
66.58423	0.6
70.38652	0.5
75.23874	0.6
85.02946	0.6
126.20618	0.7
146.13898	0.6
149.98975	0.5
177.05579	0.7
261.11209	0.7
304.06021	0.9
318.07431	1.0
319.08267	7.3
331.82162	0.7
334.10724	20.3
383.71658	0.8
468.13272	1.4
469.13782	6.4
477.14462	2.4
479.12079	1.2
482.15125	1.0
483.15512	23.1
493.14398	1.1
494.14484	1.2
495.15689	13.6
496.12766	0.9
497.13428	26.8
510.15793	0.8
511.15015	40.6
512.15784	13.3
527.18127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17692	0.5
83.76041	0.6
89.89951	0.6
90.45993	0.6
147.28365	0.6
164.11026	0.7
194.22530	0.6
198.47437	0.6
223.99759	0.6
451.12668	0.7
453.10956	0.9
466.15244	1.1
468.13376	0.9
469.14014	6.3
477.14804	0.9
479.12613	1.2
483.15573	21.3
493.13916	2.7
494.14832	1.0
495.15579	11.0
496.12439	2.5
497.13412	25.3
511.08926	0.9
511.14969	43.5
512.15869	11.6
527.18134	100.0
549.22278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70339	0.5
61.96659	0.5
72.76903	0.5
73.34513	0.5
74.96864	0.5
91.40319	0.6
96.14290	0.6
166.22693	0.5
227.07431	0.6
239.83331	0.6
290.08072	9.9
302.08188	3.6
304.06049	9.3
318.07581	12.0
319.08392	52.9
334.10721	100.0
395.83932	0.6
403.33133	0.7
527.18109	42.2
552.98438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85110	0.9
67.97670	1.0
69.03436	1.9
79.91932	1.1
81.03410	5.6
81.04549	5.7
82.05354	1.8
84.04473	1.3
85.02903	2.3
91.05480	1.1
95.06099	10.0
97.02908	1.8
99.04464	6.4
101.00866	1.2
109.02881	1.4
111.05575	46.0
119.05000	8.6
121.06504	17.3
123.05553	36.3
130.04999	2.2
137.06026	3.8
138.06372	1.1
141.06601	100.0
147.04420	15.0
159.07664	36.0
163.36966	1.1
175.03917	55.4
178.08618	1.3
192.10139	3.9
193.10573	1.7
207.06525	81.7
221.59181	1.1
250.10698	4.1
252.68739	1.1
267.13348	1.2
365.13736	1.1
369.12027	2.2
491.22852	1.2
509.17487	7.2
509.23999	1.4
527.17975	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
54.73213	1.1
55.01882	2.9
58.06602	2.2
58.20139	1.0
69.03442	8.4
81.03429	9.8
81.07095	1.0
85.02913	19.3
91.05533	1.5
97.02900	3.0
99.04456	58.3
109.02891	5.0
110.76066	1.4
110.96312	1.3
119.04917	2.6
121.06484	2.4
127.03897	7.8
137.05980	7.3
138.06293	1.4
145.05002	5.7
147.04407	100.0
153.38615	1.1
165.05466	27.4
192.10202	8.4
193.10606	2.3
242.29211	1.3
243.08684	1.4
245.08133	5.4
263.09106	7.7
301.59912	1.3
308.48465	1.3
313.92007	1.3
365.63297	1.3
389.17642	1.5
517.00110	1.3
527.18097	5.4
527.25336	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
54.73213	1.1
55.01882	2.9
58.06602	2.2
58.20139	1.0
69.03442	8.4
81.03429	9.8
81.07095	1.0
85.02913	19.3
91.05533	1.5
97.02900	3.0
99.04456	58.3
109.02891	5.0
110.76066	1.4
110.96312	1.3
119.04917	2.6
121.06484	2.4
127.03897	7.8
137.05980	7.3
138.06293	1.4
145.05002	5.7
147.04407	100.0
153.38615	1.1
165.05466	27.4
192.10202	8.4
193.10606	2.3
242.29211	1.3
243.08684	1.4
245.08133	5.4
263.09106	7.7
301.59912	1.3
308.48465	1.3
313.92007	1.3
365.63297	1.3
389.17642	1.5
517.00110	1.3
527.18097	5.4
527.25336	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00092	0.9
53.03955	2.0
58.06641	1.2
60.25401	1.1
67.22195	1.0
69.03442	4.1
70.06592	5.0
81.03438	9.1
84.04527	7.5
85.02911	9.0
92.20972	1.3
93.07092	1.3
97.02916	5.1
99.04460	42.2
99.05085	1.8
109.02944	1.7
111.04475	1.1
116.07135	4.5
119.04955	1.4
120.65131	1.1
121.06503	100.0
127.03921	4.5
127.78515	1.2
130.05006	16.3
138.09149	17.3
147.04390	8.3
204.10303	2.3
205.08649	1.5
206.09045	4.5
220.05972	1.5
221.12975	2.5
250.10724	21.4
267.13382	17.1
271.70392	1.2
314.51099	1.3
325.40240	1.2
398.18164	1.4
429.18628	2.7
527.22528	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05018	3.9
58.06596	11.1
58.80137	3.7
62.26374	3.8
66.31347	4.5
67.59619	3.8
70.06580	4.6
73.44160	4.1
74.41180	4.4
81.03414	7.6
84.04513	10.0
86.06071	8.9
91.05524	3.8
93.07050	5.3
97.02892	8.1
99.04436	20.4
101.05992	8.4
109.02868	5.2
111.04426	6.6
121.06496	100.0
126.61649	4.6
127.03953	4.7
130.04993	36.8
147.04417	6.8
148.07582	30.0
164.07048	7.6
176.07056	56.8
191.08324	5.0
220.06035	17.0
250.10744	9.6
251.07539	4.7
262.54953	5.3
264.88974	5.3
334.74393	4.9
356.08344	5.0
356.31793	5.4
473.19089	9.3
491.20325	38.8
509.18469	11.1
527.22974	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45317	0.4
65.26383	0.4
71.04971	1.1
74.30834	0.4
81.57304	0.4
85.02888	0.7
85.06553	0.8
95.04987	0.6
97.10163	2.0
107.08608	5.8
118.06548	2.2
125.09631	11.5
130.06462	0.5
132.08049	1.0
138.06296	0.5
143.10674	16.7
144.08104	4.3
146.06006	36.1
159.09125	4.2
164.11314	0.5
170.05974	1.1
188.07063	100.0
205.09726	31.7
211.32637	0.6
305.15976	9.8
365.14777	0.6
388.89850	0.5
527.17755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04510	2.7
55.05516	4.8
57.03443	32.3
60.31660	2.9
61.02919	3.5
67.05515	20.5
69.03426	3.2
69.07054	5.6
72.21078	3.1
79.05490	21.3
81.07062	19.2
83.04970	3.3
83.08621	11.6
85.06525	4.7
91.05489	36.7
93.07046	23.6
95.04975	3.9
95.08598	11.6
97.10173	4.6
105.07037	18.3
107.04954	4.0
107.08596	16.8
109.06535	24.4
109.10149	3.3
113.05948	3.0
117.07036	33.6
119.08585	29.8
121.06506	4.7
121.10123	6.0
129.07011	14.7
131.07047	4.1
131.08543	25.7
132.59535	2.7
133.06441	4.0
133.10089	3.0
135.08012	5.8
135.11691	3.4
143.08560	18.6
145.06442	4.3
145.10100	30.2
147.07991	27.6
149.09657	6.1
155.08572	4.6
157.10114	19.8
159.11671	13.5
161.09621	23.6
163.11276	3.8
171.11684	14.0
173.13309	4.8
175.11119	7.2
183.11647	11.5
189.16307	3.4
195.11911	3.3
199.14798	4.6
201.12752	13.2
217.15923	22.6
238.95140	3.4
245.13960	3.1
255.17503	6.3
273.18448	42.9
293.17377	3.8
320.09167	3.3
322.10574	4.8
334.10788	4.2
336.12375	12.9
337.12686	5.7
338.49902	2.9
340.03772	3.6
347.22128	100.0
353.78336	3.6
365.23233	91.2
365.27484	3.2
497.14236	3.4
527.17236	4.8
527.28217	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05511	3.4
57.03437	25.8
61.02916	3.1
67.05489	13.6
69.07069	2.1
74.40182	1.4
79.05495	13.0
81.07060	14.3
83.08605	2.1
85.02916	7.9
85.06538	8.5
91.03937	1.7
91.05464	22.6
93.07034	14.4
95.04962	3.4
95.08640	12.2
97.02888	3.0
97.06528	2.6
105.07022	14.7
107.04952	2.8
107.08583	8.4
109.06492	18.0
109.10160	2.0
111.08076	1.8
117.07004	13.9
119.06895	1.7
119.08542	12.7
119.32889	1.6
121.06481	8.0
121.10117	2.7
122.09698	1.6
125.06068	2.1
129.06989	3.8
131.07033	2.0
131.08585	19.2
133.06526	2.3
133.10065	5.9
133.21001	1.7
135.08040	11.2
141.49754	1.6
143.08586	8.2
145.10121	17.4
147.08051	16.6
147.11707	2.1
149.09583	2.6
149.13199	2.5
157.10127	11.3
159.08037	3.0
159.11658	9.0
161.09616	9.3
171.11732	6.4
173.09312	2.0
173.13290	6.7
174.92010	1.7
175.11163	7.4
183.11678	7.5
185.65100	1.6
199.05658	2.0
199.14737	4.0
199.86940	1.5
201.12698	9.2
211.70274	1.6
217.15833	11.5
255.17456	4.0
273.18423	18.1
290.76755	1.7
319.08148	1.8
334.10782	2.0
336.12286	7.7
347.22131	100.0
347.26349	3.4
365.23230	23.4
426.66141	1.7
527.14307	2.1
527.28943	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.0
57.07082	13.1
67.05514	51.5
69.03427	45.3
69.07078	49.0
79.05487	18.0
79.32736	10.2
81.03420	27.3
81.07060	83.2
82.26778	9.5
83.04993	15.6
83.08598	20.5
83.44685	11.7
85.02932	40.5
91.05456	21.5
93.07040	43.6
95.04956	13.5
95.08617	100.0
97.02881	26.7
99.04456	14.7
105.07102	37.3
107.08607	26.3
109.10168	19.5
119.08580	23.4
121.06509	11.4
121.10147	40.4
127.03848	15.2
131.08543	26.7
133.04990	14.1
133.10170	21.0
147.11636	15.6
157.51808	11.8
169.33273	11.3
195.10167	15.2
371.25665	14.5
389.26758	15.5
407.27878	17.0
527.37006	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91174	1.2
55.05521	10.9
57.07071	10.4
65.08023	1.6
65.70646	1.3
67.05513	14.2
69.07076	23.0
71.04969	1.4
71.08624	8.7
71.82475	1.5
77.13328	1.5
79.05504	7.1
81.07062	29.5
81.26847	1.3
83.04974	2.1
83.08625	19.9
85.06529	2.4
85.10180	3.4
88.19557	1.5
91.05472	1.9
93.07047	12.2
95.08606	25.6
97.06525	8.5
97.10170	19.4
98.66603	1.5
99.08012	1.3
100.07599	2.9
107.08604	8.5
108.21765	1.5
109.10133	13.8
111.08081	2.3
111.11725	7.9
114.09148	3.1
119.08573	6.1
121.10133	23.8
123.07993	1.7
123.11704	7.7
125.09637	1.7
128.10725	2.3
133.10072	3.4
135.11699	3.2
137.09644	3.5
137.13283	2.6
138.12764	8.3
139.11186	14.7
147.11668	2.4
149.09641	2.3
149.13277	7.0
156.13849	6.0
161.13441	2.8
166.07654	1.4
166.12224	1.9
166.15883	6.4
167.10559	1.9
175.14772	2.4
184.13318	52.7
202.14426	12.1
212.16431	19.3
230.17494	2.6
245.22647	1.7
286.34604	1.6
291.26889	3.2
308.29404	11.6
326.30444	9.6
509.43146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01147	16.0
71.08634	24.8
75.26379	17.9
92.92787	18.2
95.08540	23.5
97.10155	27.6
118.34283	18.4
121.10162	24.0
138.01939	18.6
237.22116	32.2
255.23199	100.0
291.48730	24.8
323.91571	21.3
502.94272	19.9
517.68390	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41120	7.2
84.20502	6.3
85.69189	7.1
90.43848	7.1
92.70537	7.4
130.06540	12.5
131.63300	7.5
135.84030	7.4
290.93494	8.5
319.08426	40.6
320.09204	14.0
323.11472	9.0
334.10864	70.2
351.18628	16.4
369.19446	12.3
380.02658	8.2
426.09650	36.6
438.09555	31.8
454.09207	60.3
468.10483	13.0
476.28659	8.5
487.17447	40.7
498.08200	17.4
528.13232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00443	0.7
63.65464	0.7
69.90844	0.7
87.53729	0.8
90.88808	0.8
92.20966	1.2
135.73125	0.8
156.72400	0.8
172.03918	1.0
190.05034	9.6
277.07291	1.5
278.08093	7.2
290.08115	1.1
291.09042	1.9
303.08838	1.6
304.06168	3.1
305.06711	3.4
306.07596	38.3
307.08380	1.0
318.07550	4.4
319.08438	8.6
320.05487	5.3
320.09158	8.2
321.09967	6.5
322.10431	0.9
332.09241	1.2
334.07111	100.0
334.10791	17.1
335.07736	1.4
336.12210	3.3
348.08630	1.5
348.12393	4.4
349.09457	53.9
349.13724	2.1
350.06519	1.3
350.10339	7.9
484.13989	3.8
498.12097	1.4
499.12311	1.3
512.13593	3.4
528.12091	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24131	0.4
55.55382	0.5
78.99503	0.6
85.32686	0.5
92.21515	1.3
96.66078	0.6
99.04415	3.3
124.24293	0.6
143.70232	0.6
174.93674	0.6
188.03197	0.8
190.04861	1.4
254.17499	0.7
274.82648	0.7
276.06384	0.9
290.08203	8.3
302.07999	3.1
304.05963	6.7
318.07648	10.6
319.08383	42.7
334.10706	77.3
409.09293	1.4
410.10086	4.4
420.08038	0.9
421.09128	2.2
422.09763	2.4
424.07910	3.5
436.11987	22.7
437.08624	0.7
438.09711	24.4
439.10190	3.6
440.11322	0.9
450.10098	4.4
452.11444	1.1
453.12030	28.3
454.12967	9.5
466.08539	1.4
467.09421	2.8
468.09927	1.3
477.22983	0.7
482.12280	6.8
484.09985	4.4
496.10144	4.9
498.07617	4.1
510.11249	0.6
512.09802	8.3
513.10370	4.3
514.06738	0.6
528.12378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30155	0.7
81.66242	0.7
86.83408	0.8
87.17120	0.8
138.98665	0.8
157.44496	0.7
190.04955	2.9
202.66998	0.8
212.12125	0.7
212.89775	1.0
290.08112	1.3
291.05164	4.8
302.07990	0.8
303.08859	2.9
304.06116	2.9
305.06750	1.9
306.07666	3.0
318.07666	5.2
319.05276	1.0
319.08386	9.3
320.09003	3.1
325.68658	0.9
334.07111	100.0
334.10770	13.3
348.08640	3.4
349.09445	62.1
352.08081	1.9
366.16214	0.9
465.39734	0.9
470.12802	1.5
498.11859	9.1
503.11432	0.9
513.13824	3.3
528.16577	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1292
Annotation	TMC-66
Peak:m/z	Relative Intensity
51.24131	0.4
55.55382	0.5
78.99503	0.6
85.32686	0.5
92.21515	1.3
96.66078	0.6
99.04415	3.3
124.24293	0.6
143.70232	0.6
174.93674	0.6
188.03197	0.8
190.04861	1.4
254.17499	0.7
274.82648	0.7
276.06384	0.9
290.08203	8.3
302.07999	3.1
304.05963	6.7
318.07648	10.6
319.08383	42.7
334.10706	77.3
409.09293	1.4
410.10086	4.4
420.08038	0.9
421.09128	2.2
422.09763	2.4
424.07910	3.5
436.11987	22.7
437.08624	0.7
438.09711	24.4
439.10190	3.6
440.11322	0.9
450.10098	4.4
452.11444	1.1
453.12030	28.3
454.12967	9.5
466.08539	1.4
467.09421	2.8
468.09927	1.3
477.22983	0.7
482.12280	6.8
484.09985	4.4
496.10144	4.9
498.07617	4.1
510.11249	0.6
512.09802	8.3
513.10370	4.3
514.06738	0.6
528.12378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32826	0.4
52.55814	0.4
65.34142	0.5
79.30984	0.5
88.09534	0.5
100.81679	0.5
107.60436	0.4
213.07916	0.5
213.61995	0.5
218.04390	0.7
264.06677	1.1
265.07269	0.7
292.06058	0.6
294.07614	2.1
306.07391	0.6
318.07584	0.7
319.08307	5.1
322.07263	1.0
334.10721	8.0
336.05020	24.0
350.06558	0.9
351.07367	100.0
366.09726	71.8
416.69952	0.7
433.46155	0.5
528.15271	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28648	1.2
51.28108	1.3
57.14825	1.6
61.42654	1.4
81.07093	1.5
86.05898	1.4
116.23466	1.4
130.89137	1.4
174.05574	1.6
219.84708	1.4
277.07144	1.5
305.06741	2.7
306.07523	15.3
307.09583	1.5
319.08484	3.0
320.09094	2.3
321.10120	2.1
334.07062	14.7
334.10788	9.4
336.12476	3.3
349.09409	3.1
408.26056	1.7
424.12085	2.1
426.13449	2.0
434.10257	6.3
437.12613	6.9
441.12061	6.9
442.12885	7.6
451.14267	3.2
452.11612	11.1
453.12363	2.0
454.12943	9.4
455.13751	2.8
456.14499	16.1
462.09729	2.7
463.10666	2.9
466.12897	7.2
467.13565	3.4
468.14893	2.4
469.15753	18.4
470.12390	27.1
480.10526	12.1
484.13947	47.7
485.14276	4.6
495.13260	2.1
498.11566	1.8
499.16772	6.5
500.16995	80.2
510.15405	8.3
528.16510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73894	0.6
65.43718	0.6
78.21358	0.6
80.44589	0.6
174.05525	1.6
190.04942	1.0
277.07437	2.9
278.08392	0.7
290.08173	1.1
291.05695	0.7
291.09070	3.5
305.06830	3.9
306.07614	13.3
315.37820	0.7
318.07608	1.6
319.08228	7.1
320.09174	1.2
321.10062	1.6
323.09250	0.9
334.07114	15.6
334.10828	10.8
349.09256	5.2
350.06686	2.4
394.10492	1.1
395.11417	1.0
420.08206	1.2
422.10233	0.9
423.10980	1.6
424.11758	4.2
425.12628	1.0
426.13428	1.2
434.10190	3.0
435.11124	1.1
436.11945	4.0
437.13345	5.5
438.13571	1.6
441.12070	3.8
442.12769	8.4
450.13470	1.0
451.14459	5.7
452.11349	11.3
454.12833	10.5
455.13654	4.1
456.14386	15.6
462.09680	3.3
464.11456	1.1
466.13004	5.1
467.13733	4.2
468.14438	4.2
469.15439	17.6
470.12271	27.2
478.12665	4.1
480.10623	12.3
482.12009	0.8
484.13901	45.0
485.14465	7.9
496.13797	1.3
498.11624	1.2
499.16257	7.1
500.16998	68.2
510.15567	6.8
528.16534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89235	0.4
95.17572	0.4
123.78050	0.5
127.94716	0.5
151.00449	0.5
175.85074	0.5
190.04945	0.6
237.28505	0.5
271.67056	0.5
290.08075	14.5
302.08170	3.6
303.30939	0.5
304.06058	9.6
318.07578	16.5
319.08368	53.3
320.08963	3.4
334.10709	100.0
335.11023	1.1
336.11911	0.8
447.54391	0.6
528.16510	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13782	0.4
92.20900	0.5
92.74268	0.5
100.37122	0.6
124.75128	0.5
290.08109	12.4
302.08014	3.3
304.06097	11.7
318.07559	17.2
319.08377	54.4
320.08975	0.8
334.10712	100.0
336.05099	2.0
351.07391	8.1
366.09662	7.7
471.63766	0.5
528.16486	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56985	0.2
58.92896	0.3
65.90146	0.3
67.11672	0.3
100.20219	0.3
102.34445	0.3
106.32533	0.2
109.29157	0.3
121.35551	0.3
136.54762	0.3
184.70393	0.3
290.04962	0.6
290.08105	12.2
302.08051	3.3
304.06061	13.1
318.03827	0.5
318.07605	17.6
319.08395	60.2
325.13446	0.3
334.10733	100.0
386.48306	0.3
440.81781	0.3
528.16565	27.1
538.76331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49406	0.4
84.31556	0.4
115.94987	0.5
151.70149	0.5
186.65201	0.5
189.87976	0.6
243.38680	0.5
276.06436	0.8
290.08090	11.8
302.08127	4.7
304.06015	12.7
318.07574	17.5
319.08380	55.5
334.10715	100.0
528.16516	35.4
536.82593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04115	0.4
50.48840	0.5
59.12418	0.5
60.63702	0.5
83.13235	0.5
92.21547	1.1
165.59276	0.5
265.44696	0.6
290.08093	11.5
290.69641	0.6
302.08163	3.0
304.06064	11.4
318.07629	12.5
319.08392	54.1
334.10724	100.0
343.08954	0.7
478.65277	0.7
528.16528	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12794	0.5
58.13141	0.6
59.33508	0.6
61.22712	0.6
71.23753	0.7
166.00737	0.7
248.05470	0.6
290.08142	11.3
302.08005	3.4
304.06012	12.6
318.07605	15.0
319.08386	54.7
334.10709	100.0
410.10205	1.2
424.08017	0.9
436.11969	8.7
438.09619	6.0
450.09439	0.9
453.12244	7.7
454.13092	4.7
482.12317	2.9
484.10217	1.6
498.07895	1.0
512.09662	1.4
513.10004	1.0
528.12933	22.5
528.15582	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45984	0.3
55.21474	0.4
67.32433	0.3
70.72414	0.4
73.43573	0.3
77.11907	0.4
77.46918	0.4
150.90028	0.4
290.08112	11.9
302.08035	3.1
304.06006	9.4
318.07574	14.8
319.02875	0.6
319.08368	57.9
334.10709	100.0
528.16510	38.3
528.24664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
58.46412	0.3
69.03387	1.4
70.06544	1.9
71.04970	0.4
77.90679	0.3
81.03419	2.9
84.08112	0.7
85.02853	1.7
86.09650	0.5
97.02856	0.8
99.04468	11.8
109.02847	0.5
120.08096	0.6
127.03856	0.8
128.04973	0.5
128.96074	0.3
129.10220	0.4
156.04411	0.7
159.11395	0.3
164.82971	0.3
174.04135	0.6
174.05521	13.2
174.07039	0.6
175.03900	0.8
175.06339	0.4
191.25099	0.3
206.11787	0.7
207.06519	1.9
222.14436	0.4
240.06567	0.3
268.09677	100.0
299.05157	0.3
310.07446	0.4
310.10773	2.0
340.11731	0.4
432.09509	0.3
510.32919	0.6
517.61298	0.3
528.18738	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
58.46412	0.3
69.03387	1.4
70.06544	1.9
71.04970	0.4
77.90679	0.3
81.03419	2.9
84.08112	0.7
85.02853	1.7
86.09650	0.5
97.02856	0.8
99.04468	11.8
109.02847	0.5
120.08096	0.6
127.03856	0.8
128.04973	0.5
128.96074	0.3
129.10220	0.4
156.04411	0.7
159.11395	0.3
164.82971	0.3
174.04135	0.6
174.05521	13.2
174.07039	0.6
175.03900	0.8
175.06339	0.4
191.25099	0.3
206.11787	0.7
207.06519	1.9
222.14436	0.4
240.06567	0.3
268.09677	100.0
299.05157	0.3
310.07446	0.4
310.10773	2.0
340.11731	0.4
432.09509	0.3
510.32919	0.6
517.61298	0.3
528.18738	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53011	0.3
81.07070	0.8
99.04465	0.7
105.31578	0.4
184.11414	0.5
233.15370	2.7
245.40451	0.4
276.06357	0.4
289.07281	0.5
290.08075	8.7
302.08102	2.4
304.05966	9.8
318.07617	15.2
319.08389	60.8
320.09180	4.1
334.10730	100.0
336.05225	0.7
336.11942	0.5
351.07321	2.2
366.09824	0.8
453.11899	0.6
528.20929	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53011	0.3
81.07070	0.8
99.04465	0.7
105.31578	0.4
184.11414	0.5
233.15370	2.7
245.40451	0.4
276.06357	0.4
289.07281	0.5
290.08075	8.7
302.08102	2.4
304.05966	9.8
318.07617	15.2
319.08389	60.8
320.09180	4.1
334.10730	100.0
336.05225	0.7
336.11942	0.5
351.07321	2.2
366.09824	0.8
453.11899	0.6
528.20929	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53011	0.3
81.07070	0.8
99.04465	0.7
105.31578	0.4
184.11414	0.5
233.15370	2.7
245.40451	0.4
276.06357	0.4
289.07281	0.5
290.08075	8.7
302.08102	2.4
304.05966	9.8
318.07617	15.2
319.08389	60.8
320.09180	4.1
334.10730	100.0
336.05225	0.7
336.11942	0.5
351.07321	2.2
366.09824	0.8
453.11899	0.6
528.20929	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44236	0.3
62.22329	0.3
63.88367	0.4
75.49769	0.3
83.11410	0.3
88.22952	0.3
91.05481	3.1
95.04949	1.7
107.04953	1.5
115.43842	0.4
117.49979	0.4
119.04932	4.9
140.28659	0.4
144.67622	0.4
151.07538	100.0
168.06552	1.7
168.10188	22.4
304.11819	1.7
346.73734	0.4
528.16528	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
60.04509	2.1
63.79808	1.4
69.03438	2.8
70.06594	3.6
72.38297	1.6
79.14430	1.5
81.03420	8.8
84.04516	3.7
85.02913	8.7
86.06069	27.2
87.04461	28.7
91.57915	1.5
97.02890	23.0
98.06056	56.2
99.04455	23.5
104.07108	17.1
109.02871	9.5
110.06037	2.3
114.05507	1.6
116.07069	13.8
119.04935	1.9
121.06525	2.8
124.07574	3.2
125.04697	2.5
126.05537	7.6
127.03916	6.6
128.07085	18.3
134.06056	8.0
138.09131	2.0
140.07098	3.1
142.08682	2.6
144.06532	6.3
146.08092	3.4
147.04410	47.4
148.07579	3.9
152.07094	1.6
164.07089	8.9
165.05435	9.7
166.08684	12.1
170.08127	6.7
176.07047	28.8
182.08058	18.5
194.08110	49.0
212.09138	20.7
220.09619	1.9
230.10237	39.6
248.11296	38.5
328.13748	3.1
346.14908	2.7
492.18628	33.8
510.19705	47.1
528.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64808	1.9
57.03436	3.3
61.92685	2.1
62.19303	2.4
65.39752	2.1
69.03441	41.9
72.80968	2.1
78.63700	2.2
81.03416	11.0
83.05009	2.7
85.02911	66.8
87.00831	21.4
87.04469	12.9
90.67976	2.0
97.02901	43.6
99.04443	9.9
105.01875	38.9
105.43594	2.1
109.02871	24.4
109.10140	3.6
115.03896	17.2
119.04945	8.9
123.04436	13.5
127.03922	44.0
133.04976	3.9
145.05005	15.1
150.07585	9.3
152.15251	2.0
154.12270	10.2
159.02875	7.7
165.05525	2.9
167.55656	2.2
171.15030	2.5
208.22017	2.2
231.05078	18.3
231.06995	2.1
241.07133	2.6
249.06155	9.9
272.20056	44.3
290.08160	10.9
304.06076	10.0
318.07581	19.3
319.08371	57.2
320.09052	4.6
334.10754	100.0
335.11505	5.3
336.12262	10.0
341.24380	3.1
345.08136	13.3
346.23895	3.7
361.18521	7.7
363.09216	3.1
364.24814	8.4
436.24631	3.4
528.16675	49.1
528.29236	32.7
540.17035	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02406	1.5
51.80031	1.5
53.03951	7.4
55.05500	2.9
57.03426	1.5
57.07078	1.8
62.71481	1.4
67.05506	11.6
69.03441	3.5
69.07069	3.7
71.04986	2.3
72.21063	1.7
73.02914	19.9
74.85860	1.5
79.05503	15.4
81.03421	16.7
81.07056	14.1
82.07409	1.6
83.04996	4.0
85.02937	13.4
87.04449	3.4
89.06026	3.6
91.05470	4.2
93.07053	24.6
95.04971	1.9
95.08617	10.3
97.02937	4.0
99.04462	100.0
105.07041	7.6
107.08627	3.7
109.02872	3.4
109.10168	8.0
111.04455	1.7
111.08083	2.1
119.08585	10.3
121.06462	2.1
121.10147	16.9
126.15456	1.8
127.03928	8.6
131.08578	8.9
133.10136	10.0
135.11697	7.2
136.06226	2.6
137.09660	2.2
139.41522	1.9
141.05528	2.5
145.10147	7.6
147.08168	1.8
147.11728	7.3
155.08598	2.0
157.10156	2.9
159.11707	7.4
161.13228	2.5
163.07582	1.9
171.06551	1.9
171.11623	3.7
173.13287	2.6
185.13118	2.1
243.08635	8.9
323.20041	3.9
341.21130	6.6
359.22189	3.0
377.23206	4.3
419.50641	2.0
439.24701	10.2
457.25882	12.1
475.26855	15.9
493.28061	3.5
528.38800	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01161	0.7
53.03960	5.6
55.01886	1.0
55.05513	3.8
57.03444	1.4
57.07087	1.0
67.05502	9.8
69.03432	5.3
69.07077	4.1
71.04993	2.1
71.08620	1.1
73.02920	17.5
79.05503	16.4
81.03420	13.2
81.07059	12.0
83.05018	1.6
83.08633	1.2
85.02915	11.8
85.06583	0.8
85.10176	1.0
87.04453	2.4
89.06038	6.1
91.05477	8.7
93.07040	17.6
94.62070	1.0
94.70544	0.8
95.04934	0.9
95.08613	9.9
97.02895	11.0
97.06551	2.0
99.04460	100.0
99.08122	1.3
101.70147	1.1
105.07046	8.2
105.18785	0.9
107.04971	1.0
107.08620	8.1
109.02872	4.4
109.06524	1.3
109.10165	5.8
111.04424	4.4
112.89834	0.9
117.07013	4.4
119.08608	8.9
121.06508	1.3
121.10151	15.6
123.08079	1.0
123.56931	1.0
127.03913	8.0
129.06981	1.1
130.18384	1.0
131.08565	7.6
133.06506	1.4
133.08586	1.3
133.10141	8.0
135.11684	5.9
136.06178	1.5
141.05443	2.1
143.08563	2.1
145.04918	1.2
145.10147	7.5
147.11676	5.5
149.09648	1.5
149.13286	2.0
157.10130	3.9
159.11694	5.6
161.09711	1.0
161.13280	1.8
163.11235	1.3
169.10207	1.8
171.11685	5.3
173.09460	1.5
173.13281	1.4
175.11214	1.2
183.11780	1.5
183.94710	1.0
185.09705	1.5
187.11224	1.0
189.12807	1.2
211.11349	1.3
211.14821	1.1
215.17934	2.3
225.07570	1.1
231.17535	1.8
233.19069	5.4
243.08711	11.9
287.20422	1.3
323.20126	3.9
341.21182	10.0
355.34454	1.0
359.22214	6.8
377.23267	5.6
439.24792	9.2
457.25800	16.5
462.28000	1.0
475.26935	14.9
493.27927	4.5
511.38623	2.0
528.38745	1.2
545.04376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.4
79.05476	0.2
81.07050	0.3
83.08657	0.2
93.07022	0.4
95.08589	0.5
104.51436	0.3
106.98357	0.2
121.10167	0.3
129.41130	0.2
136.06187	100.0
145.91986	0.2
149.88718	0.2
153.00850	0.2
162.50378	0.2
172.95718	0.2
193.16371	0.2
194.99280	0.2
528.31787	23.0
543.89331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73677	4.8
57.07074	9.4
69.07070	5.0
73.32603	3.5
76.61882	3.7
79.05460	4.4
81.07064	5.5
85.06566	9.6
91.05491	23.3
95.08596	9.4
100.25803	4.5
111.07994	4.7
123.18924	4.5
133.10139	100.0
137.97771	4.6
149.09633	33.5
180.99432	5.0
189.11105	6.4
195.24585	4.5
280.83383	5.2
324.11295	5.5
358.00064	5.6
446.66745	5.1
476.06418	5.7
485.29160	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44124	0.6
53.14153	0.6
56.05035	1.7
63.15295	0.6
66.21058	0.7
67.05500	1.1
67.11074	0.8
69.07095	1.1
85.12534	0.7
90.73653	0.7
95.08591	0.7
95.97736	0.7
107.08614	0.9
109.10155	6.2
110.70984	0.7
111.11747	0.9
125.09578	3.1
137.09634	1.3
153.13873	3.6
154.12268	100.0
168.13850	8.3
170.11751	3.6
171.14915	48.7
172.13356	1.2
185.16545	1.4
190.05023	1.1
273.86606	0.9
290.08319	1.5
302.63742	0.8
304.06140	0.7
305.22183	1.6
306.20654	3.8
318.07578	1.4
319.08331	5.2
323.23236	6.4
334.10739	11.1
341.24350	58.2
355.25842	1.2
528.16400	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.6
61.02936	2.0
66.63412	1.9
69.03427	14.8
70.06592	2.7
81.03403	3.8
84.20703	2.1
85.02909	40.1
96.29071	2.6
96.43033	2.4
97.02871	15.6
99.04445	4.8
103.03941	9.6
108.04525	2.3
118.06538	2.6
127.03905	14.7
130.06509	30.9
132.08093	9.9
144.08080	51.3
145.05016	3.6
146.06001	32.5
154.05019	3.3
156.08081	40.1
159.09253	3.2
160.07587	3.2
168.08075	20.4
169.04955	2.4
170.05963	9.7
172.06125	2.5
175.15025	2.2
175.55103	2.2
183.09184	19.3
184.07590	3.4
187.78268	2.3
188.07056	56.8
194.09901	2.3
197.99585	2.5
202.08659	8.8
208.32236	2.2
210.09056	4.9
218.06499	2.7
229.09711	100.0
230.08081	5.4
240.10150	5.2
258.11279	16.6
266.08139	2.8
271.10684	3.9
276.12357	13.3
296.09140	2.6
303.13348	2.4
307.01080	2.2
314.10193	3.0
331.12646	5.4
332.11301	26.6
333.61020	2.2
349.13940	52.1
428.88165	2.4
429.77087	2.8
493.18274	3.2
511.19165	79.4
524.67340	2.7
529.19092	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.6
61.02936	2.0
66.63412	1.9
69.03427	14.8
70.06592	2.7
81.03403	3.8
84.20703	2.1
85.02909	40.1
96.29071	2.6
96.43033	2.4
97.02871	15.6
99.04445	4.8
103.03941	9.6
108.04525	2.3
118.06538	2.6
127.03905	14.7
130.06509	30.9
132.08093	9.9
144.08080	51.3
145.05016	3.6
146.06001	32.5
154.05019	3.3
156.08081	40.1
159.09253	3.2
160.07587	3.2
168.08075	20.4
169.04955	2.4
170.05963	9.7
172.06125	2.5
175.15025	2.2
175.55103	2.2
183.09184	19.3
184.07590	3.4
187.78268	2.3
188.07056	56.8
194.09901	2.3
197.99585	2.5
202.08659	8.8
208.32236	2.2
210.09056	4.9
218.06499	2.7
229.09711	100.0
230.08081	5.4
240.10150	5.2
258.11279	16.6
266.08139	2.8
271.10684	3.9
276.12357	13.3
296.09140	2.6
303.13348	2.4
307.01080	2.2
314.10193	3.0
331.12646	5.4
332.11301	26.6
333.61020	2.2
349.13940	52.1
428.88165	2.4
429.77087	2.8
493.18274	3.2
511.19165	79.4
524.67340	2.7
529.19092	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.206
Annotation	Physalin Y
Peak:m/z	Relative Intensity
54.59705	1.7
68.05037	1.9
69.03423	2.8
70.80405	1.8
74.73641	1.9
81.03413	24.2
84.04515	34.6
85.02911	3.0
86.06079	4.0
88.03996	14.1
90.45969	2.2
96.04478	8.9
96.42950	1.8
97.02895	77.2
98.06010	2.8
100.03992	4.6
109.02876	4.3
110.06072	14.5
114.05533	12.7
118.06594	2.3
120.99566	3.0
121.63753	1.9
125.02400	3.9
126.05480	4.2
127.03889	4.9
130.05002	94.5
134.05966	7.4
136.03964	3.4
136.06241	4.2
136.07610	8.4
138.02222	3.2
142.05009	19.7
144.06575	3.6
148.07603	4.3
154.04997	50.0
156.06590	8.3
162.05475	17.6
164.07030	13.7
176.07076	4.7
177.05457	4.3
180.06595	10.3
182.08220	3.3
186.02234	2.7
192.06540	23.5
194.08144	4.5
200.05576	27.5
208.06039	100.0
210.07549	4.8
220.05983	4.8
226.07178	12.6
232.31700	2.2
238.07114	65.9
238.11003	12.4
256.08191	14.9
274.09158	38.5
279.09882	2.8
279.27829	2.1
295.09225	31.1
300.96399	2.3
325.10242	22.8
343.11371	24.2
361.12418	47.7
379.13461	43.9
429.12097	2.3
445.16400	3.7
475.17239	10.0
511.19366	21.9
529.20398	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
57.07087	3.9
61.02917	8.5
67.05492	4.1
69.03430	9.5
72.91103	3.8
73.02917	5.5
74.02441	9.2
85.02907	99.5
85.06541	16.4
87.05610	39.9
88.77276	3.9
91.03928	5.4
97.02888	21.7
99.04459	19.3
103.07584	9.2
105.98070	4.0
116.03441	9.2
126.37506	3.5
127.03917	33.9
133.06085	100.0
138.13654	3.6
145.05014	32.8
145.05933	3.8
163.06013	8.1
181.64844	3.8
247.11731	8.2
265.55490	4.0
299.94528	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
57.07087	3.9
61.02917	8.5
67.05492	4.1
69.03430	9.5
72.91103	3.8
73.02917	5.5
74.02441	9.2
85.02907	99.5
85.06541	16.4
87.05610	39.9
88.77276	3.9
91.03928	5.4
97.02888	21.7
99.04459	19.3
103.07584	9.2
105.98070	4.0
116.03441	9.2
126.37506	3.5
127.03917	33.9
133.06085	100.0
138.13654	3.6
145.05014	32.8
145.05933	3.8
163.06013	8.1
181.64844	3.8
247.11731	8.2
265.55490	4.0
299.94528	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48861	1.1
55.05507	2.7
57.03439	10.8
57.51929	1.2
57.64087	1.4
67.05518	11.0
69.03418	2.1
69.07079	2.8
73.74288	1.3
79.05491	9.5
81.07060	16.7
83.08632	3.2
84.88904	1.4
85.06538	1.7
91.05483	16.0
93.07048	15.0
95.08616	15.3
99.04442	1.5
105.07057	15.6
107.04987	2.3
107.08585	12.4
109.06533	6.4
109.10158	8.5
111.08102	2.7
117.07021	9.8
119.08589	18.9
121.06475	3.6
121.10156	11.3
123.08085	1.6
125.09534	1.5
131.08548	14.9
133.10127	15.3
135.08044	2.1
135.11700	3.8
137.09543	1.4
143.08585	2.4
145.10106	8.6
147.11649	6.6
149.09610	2.1
149.13161	1.7
159.11664	2.3
161.13223	3.1
173.13258	1.6
185.13181	3.7
201.16370	2.6
203.14299	2.4
219.17432	100.0
220.12495	1.7
255.17461	1.7
275.20035	12.4
336.12308	2.8
349.23727	88.2
529.17474	2.0
529.35529	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62113	3.1
53.18816	2.9
55.05517	16.0
56.27601	2.8
57.07086	3.8
67.05508	22.1
68.96416	3.0
69.07059	13.3
79.05491	31.1
81.07064	35.3
83.04968	11.1
83.08646	5.1
91.05479	13.0
93.07044	20.6
95.04961	4.5
95.08614	24.4
96.92464	3.6
97.02905	4.2
97.10161	12.7
105.07028	18.7
107.04971	6.4
107.08611	36.4
109.10167	22.9
117.07057	3.9
119.08580	14.7
121.10151	16.4
123.11667	4.4
125.09642	13.8
125.94017	3.4
131.08586	6.7
133.10156	21.8
145.10097	12.7
147.11690	11.6
149.09601	37.2
151.13025	3.7
157.10306	3.6
159.11694	6.6
161.13229	5.0
187.62833	3.6
198.14905	14.5
210.78836	3.7
275.20047	18.9
293.10294	3.3
296.25717	7.2
321.09927	4.1
329.16858	3.7
336.12415	5.7
337.12726	4.6
349.23724	100.0
349.97574	3.3
367.24838	6.6
511.40790	6.0
529.35388	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
56.73317	1.1
67.05521	2.1
69.80201	1.2
77.68170	1.8
79.05503	3.2
81.07076	6.9
83.27183	1.3
86.06098	2.2
87.04461	1.7
91.05488	1.9
93.07029	6.2
95.08624	2.6
97.90922	1.5
109.10151	1.6
110.06876	1.8
119.08582	2.9
121.10162	2.1
144.61014	1.9
191.10425	100.0
209.11554	14.7
253.10461	72.4
270.02179	1.6
294.21564	1.6
329.21649	1.8
347.43088	1.7
511.34375	6.6
529.31592	15.6
529.38330	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44268	0.6
58.06601	0.5
60.05649	4.1
70.06596	12.0
72.08209	0.6
77.42500	0.5
77.53403	0.8
83.06118	4.0
84.04498	7.7
86.09706	38.8
92.21413	0.7
101.07141	6.0
102.85574	0.6
112.08739	5.0
113.07153	1.1
115.08680	4.5
116.07109	6.8
128.08203	0.8
129.06599	20.4
130.09758	3.2
133.09799	0.7
141.06602	0.9
152.10721	1.4
156.11311	9.5
158.09236	7.9
169.13313	6.3
175.11884	20.6
182.11270	0.7
196.14441	19.3
197.12865	23.1
199.18094	1.6
214.15482	30.6
214.17453	1.2
224.13969	4.9
242.14969	3.1
271.17633	5.7
288.20233	2.3
322.15005	0.7
511.33560	1.4
529.21722	2.5
529.34546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23226	8.9
53.22128	6.5
55.05516	11.6
57.07085	17.4
59.25851	9.0
67.05511	73.8
69.07072	46.7
71.08630	15.7
79.05499	16.1
81.07059	100.0
83.08614	44.1
85.39861	7.5
91.05471	19.3
93.07052	46.3
95.08624	88.3
97.10171	33.3
105.07048	9.8
107.08584	59.5
109.10130	64.4
119.08544	18.4
121.10158	43.2
123.11706	16.0
125.09608	10.0
131.08545	14.7
133.10071	27.2
135.08026	11.7
135.11702	54.5
137.13304	13.9
141.82353	8.4
145.10223	11.3
147.11665	10.8
151.11195	12.2
152.14397	12.5
155.55498	8.1
170.11789	42.0
173.11844	13.3
188.69177	9.2
198.14955	92.7
261.22067	12.5
296.25775	51.9
324.28998	36.5
336.12213	9.3
357.62109	9.8
384.74948	8.0
404.02600	8.5
511.41028	91.8
529.34961	47.4
529.41455	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.0904
Annotation	(-)-Dragmacidin E
Peak:m/z	Relative Intensity
56.70277	0.3
59.40904	0.3
62.48897	0.3
92.21465	0.4
172.03923	11.7
175.16350	0.3
190.04979	100.0
194.38902	0.4
218.04491	2.4
246.74295	0.3
270.03378	0.4
290.08051	0.4
298.02911	0.3
304.06015	0.4
308.09235	0.5
313.05301	2.6
318.07440	0.5
319.08359	2.4
320.09164	1.9
321.09720	0.5
323.11411	0.4
334.10651	4.4
336.12177	3.1
397.97708	0.3
440.05746	0.5
441.06635	0.5
453.06705	0.4
453.85339	0.3
468.05072	0.5
469.05960	0.7
484.08383	2.6
502.18140	0.6
512.08203	0.4
530.09003	37.8
530.17529	4.4
557.47162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66550	0.4
54.56443	0.4
59.85391	0.4
60.45750	0.4
64.41425	0.4
80.95062	0.4
81.79475	0.4
85.29784	0.4
98.47602	0.5
132.05682	0.4
153.13632	0.4
156.16536	0.4
190.04886	0.6
202.04880	2.1
290.08063	2.7
303.08734	0.6
304.05923	0.7
305.06836	0.9
318.07599	5.6
319.08420	12.6
320.09125	18.6
333.09933	8.2
334.06973	8.5
334.10675	13.3
335.11566	7.7
336.12082	3.0
353.09091	1.1
365.09064	0.7
368.11102	1.9
394.10907	0.6
396.12018	1.8
397.09265	0.6
408.08530	0.8
422.09900	1.0
423.10693	1.6
426.09509	3.0
438.13678	1.0
440.11163	9.4
442.12759	2.1
452.11435	3.6
454.09189	9.4
455.13660	0.8
467.09900	1.8
468.10773	5.4
469.11685	5.8
470.08334	1.0
472.10031	3.2
474.11432	0.5
484.14069	11.7
486.11868	8.8
498.11948	9.2
500.09741	37.7
514.11206	7.0
515.12164	4.8
530.14246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59128	0.8
55.32665	1.0
73.31472	1.0
97.77975	1.1
100.21693	1.1
174.25674	1.0
187.06284	1.6
244.56247	1.2
290.08243	1.3
305.34387	1.2
306.07565	2.2
318.07669	22.4
319.08383	9.3
320.09296	4.0
334.10724	18.3
363.26965	1.1
387.40390	1.1
408.08511	1.7
409.09238	2.3
410.10394	1.8
412.11926	7.8
424.11508	2.5
426.09787	5.6
440.11237	28.2
441.12085	12.3
454.09030	5.3
470.12558	1.8
472.09995	4.5
484.13852	14.9
486.11774	6.7
498.11395	2.5
500.09753	38.6
514.11139	5.2
515.11908	5.1
530.14301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1445
Annotation	Lamellarin M
Peak:m/z	Relative Intensity
51.82418	0.5
57.85183	0.6
66.88934	0.7
70.71581	0.6
82.10971	0.6
88.89055	0.6
97.13960	0.8
100.40821	0.6
107.08237	0.7
135.95000	0.7
151.99724	0.8
173.04739	2.6
174.05547	4.2
178.19017	0.7
187.06311	1.0
188.03470	5.5
315.08533	3.1
319.08417	3.2
320.08908	3.8
321.09177	1.4
334.10681	9.4
335.11279	1.3
336.12021	4.1
370.10651	1.0
379.74463	0.7
384.12378	1.1
385.13239	0.8
386.10175	8.1
387.11130	7.7
396.11987	0.9
398.10245	2.7
404.57022	0.8
413.12531	5.2
426.10062	2.5
441.12146	1.3
444.10513	1.1
454.09116	2.6
456.10767	1.0
457.07825	2.6
469.11530	5.1
472.10144	19.9
482.08551	2.8
486.11267	1.6
487.12698	5.7
497.10880	7.0
498.11469	1.5
500.09665	11.4
514.11310	1.6
530.14398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1451
Annotation	Cervinomycin A1
Peak:m/z	Relative Intensity
50.59128	0.8
55.32665	1.0
73.31472	1.0
97.77975	1.1
100.21693	1.1
174.25674	1.0
187.06284	1.6
244.56247	1.2
290.08243	1.3
305.34387	1.2
306.07565	2.2
318.07669	22.4
319.08383	9.3
320.09296	4.0
334.10724	18.3
363.26965	1.1
387.40390	1.1
408.08511	1.7
409.09238	2.3
410.10394	1.8
412.11926	7.8
424.11508	2.5
426.09787	5.6
440.11237	28.2
441.12085	12.3
454.09030	5.3
470.12558	1.8
472.09995	4.5
484.13852	14.9
486.11774	6.7
498.11395	2.5
500.09753	38.6
514.11139	5.2
515.11908	5.1
530.14301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1445
Annotation	Lamellarin M
Peak:m/z	Relative Intensity
55.10312	0.6
61.54816	0.7
70.99367	0.8
102.09396	0.8
174.05463	3.4
187.06129	1.2
188.03386	1.0
289.38629	1.1
318.07727	6.9
319.08405	1.6
320.09354	1.2
321.09747	2.8
322.10251	1.9
334.10632	8.5
336.12131	1.9
340.11032	0.9
360.11917	0.9
388.12030	1.1
416.11005	1.2
425.46045	1.0
442.09314	1.0
444.10626	9.5
454.09155	1.1
457.07986	1.7
458.11902	1.3
470.12463	7.9
471.09335	2.9
472.10400	13.1
480.10184	1.0
482.08524	1.4
484.10342	1.3
486.11734	19.2
498.11597	3.3
500.09769	18.1
514.10852	4.0
515.12128	3.1
530.14331	100.0
540.90887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1443
Annotation	Lamellarin M
Peak:m/z	Relative Intensity
52.90833	0.5
67.96449	0.5
74.94517	0.5
100.09200	0.5
135.04466	0.7
163.03899	1.0
165.05450	1.1
190.04942	1.0
193.04962	27.5
193.06671	1.1
320.09131	0.6
322.07086	1.0
323.07895	0.8
334.10660	1.1
336.12085	1.0
350.06708	1.2
382.10727	0.9
396.08704	3.1
410.10400	4.4
411.10736	0.6
422.09988	0.9
423.11179	0.8
424.12436	0.8
425.08829	1.1
426.09985	0.9
428.11343	2.9
438.09744	4.7
440.11288	24.8
442.12927	3.3
452.11508	2.3
453.11954	3.0
454.12933	3.9
455.09665	0.6
456.10770	7.9
469.10986	0.6
470.12476	6.1
471.13058	0.8
498.11990	0.7
500.09592	2.3
514.11102	3.9
515.12067	13.4
530.14453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1447
Annotation	Cervinomycin A1
Peak:m/z	Relative Intensity
51.66550	0.4
54.56443	0.4
59.85391	0.4
60.45750	0.4
64.41425	0.4
80.95062	0.4
81.79475	0.4
85.29784	0.4
98.47602	0.5
132.05682	0.4
153.13632	0.4
156.16536	0.4
190.04886	0.6
202.04880	2.1
290.08063	2.7
303.08734	0.6
304.05923	0.7
305.06836	0.9
318.07599	5.6
319.08420	12.6
320.09125	18.6
333.09933	8.2
334.06973	8.5
334.10675	13.3
335.11566	7.7
336.12082	3.0
353.09091	1.1
365.09064	0.7
368.11102	1.9
394.10907	0.6
396.12018	1.8
397.09265	0.6
408.08530	0.8
422.09900	1.0
423.10693	1.6
426.09509	3.0
438.13678	1.0
440.11163	9.4
442.12759	2.1
452.11435	3.6
454.09189	9.4
455.13660	0.8
467.09900	1.8
468.10773	5.4
469.11685	5.8
470.08334	1.0
472.10031	3.2
474.11432	0.5
484.14069	11.7
486.11868	8.8
498.11948	9.2
500.09741	37.7
514.11206	7.0
515.12164	4.8
530.14246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1444
Annotation	Cervinomycin A1
Peak:m/z	Relative Intensity
50.91359	0.7
54.01040	0.9
55.49147	1.0
55.91576	0.8
57.33406	0.9
59.74025	0.9
66.83343	0.9
99.41399	0.9
102.04111	1.2
120.63039	0.9
146.13649	0.9
176.03746	1.0
190.61778	0.9
248.14735	1.0
263.09305	7.6
278.08142	57.6
290.76895	1.2
291.08896	91.9
292.09695	20.9
305.07733	1.1
306.07590	51.3
307.08481	4.0
308.09229	17.9
318.07678	6.1
319.08356	1.0
320.09167	68.2
321.09683	2.1
334.10635	4.9
336.12268	12.5
338.01083	1.4
350.90897	1.0
353.03647	9.3
353.07849	1.0
368.05875	5.7
368.11414	1.8
421.65735	1.0
496.10168	1.6
512.13416	4.9
530.14349	100.0
531.16211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1445
Annotation	Lamellarin M
Peak:m/z	Relative Intensity
63.39576	0.7
73.98714	0.8
78.05352	0.9
103.05474	0.8
112.25834	0.7
121.06535	0.9
131.04910	4.1
149.05975	1.1
160.05215	1.1
176.04733	1.6
177.05502	1.6
178.06274	1.6
179.10402	0.7
180.07764	1.4
191.06995	9.1
192.07764	6.1
236.07048	3.1
249.07869	3.0
260.07047	1.3
264.06534	37.6
265.07361	3.7
266.07922	1.1
276.06558	1.0
277.07294	6.8
278.08218	1.3
290.04910	1.0
290.07956	1.0
290.67264	0.8
292.06024	20.8
293.06808	15.4
294.07541	20.1
304.05945	1.9
305.06845	3.1
306.07480	1.2
318.07535	1.2
319.08282	1.8
320.05444	4.1
320.09186	6.0
321.06268	4.4
321.09738	1.0
322.07114	9.4
322.10526	1.5
334.07004	4.3
334.10739	5.1
336.12274	6.6
389.74188	0.9
426.09668	1.3
454.09033	2.9
456.14481	1.0
457.11392	1.1
468.10577	1.4
469.11520	1.2
472.13834	4.1
474.15033	1.1
484.13760	5.0
499.46304	0.8
502.14499	5.9
512.13385	3.4
530.14362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1443
Annotation	Cervinomycin A1
Peak:m/z	Relative Intensity
51.66211	0.5
68.39257	0.5
78.47410	0.6
84.38317	0.6
90.09499	0.7
92.21471	0.8
100.14362	0.7
173.04721	3.0
174.05515	3.3
187.06293	0.9
188.03491	4.4
215.42096	0.7
242.56157	0.7
272.27774	0.6
315.08676	2.8
334.10635	5.4
358.10620	0.6
370.10638	1.1
384.12451	1.0
385.13104	3.0
386.10178	7.0
387.11115	8.0
392.00693	0.6
398.10162	1.3
412.11890	1.0
413.12463	4.4
426.09686	1.3
441.12189	1.0
452.11557	0.8
454.09326	3.4
456.10748	1.3
457.07925	2.7
469.11719	7.1
472.10275	17.2
472.16849	0.9
480.11142	0.7
482.08722	2.5
485.07239	0.8
486.11664	1.0
487.12726	4.6
497.10971	6.4
500.09778	10.1
514.11121	3.2
530.14429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92798	0.4
57.03432	0.4
61.02921	0.7
69.03423	4.1
81.03415	1.0
85.02927	5.6
86.40219	0.4
91.03931	0.5
97.02893	3.1
99.04433	0.5
106.96453	0.4
108.18555	0.4
109.02920	1.4
119.62608	0.4
127.03854	1.8
133.64043	0.5
181.42937	0.4
195.58583	0.5
217.50374	0.4
220.44438	0.4
228.50098	0.4
277.07370	0.5
278.08072	3.2
289.07379	3.1
292.06055	3.1
306.07584	17.7
307.08386	10.8
307.11771	0.5
310.10748	2.4
321.09964	38.7
322.10730	100.0
324.08777	0.7
334.07083	0.9
335.07877	3.3
337.09457	0.8
350.10242	24.2
353.08917	3.0
368.11282	44.9
530.16516	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.41965	0.5
56.09858	0.4
58.06607	0.7
61.02920	1.3
65.58275	0.6
68.06390	0.5
69.03423	3.5
70.06589	1.5
73.02895	0.8
81.03412	0.9
85.02916	7.1
87.04465	0.9
97.02885	3.7
109.02873	0.7
127.03936	0.7
129.48988	0.5
135.31117	0.7
154.05331	0.6
162.05472	12.3
202.03284	0.5
277.07407	0.9
278.08087	2.6
289.07254	2.8
292.06042	3.0
306.07590	18.9
307.08362	10.9
310.10583	2.6
321.06174	1.3
321.09952	40.2
322.10721	100.0
324.08643	1.4
334.07266	0.8
335.07773	3.2
350.10242	27.5
352.07974	1.0
353.08698	4.6
368.11301	47.4
530.16461	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	7.0
61.02925	1.7
66.29328	1.1
69.03429	3.2
70.06582	5.6
81.03416	1.6
84.33408	1.2
85.02895	7.4
86.09689	5.0
87.04457	1.6
97.02908	2.2
99.04411	2.2
121.06568	1.9
122.05978	1.7
124.03938	4.8
127.03941	2.1
136.07571	1.7
137.05925	1.2
145.02827	1.4
154.08749	1.3
161.99464	1.4
162.09105	2.8
168.01392	1.3
168.06511	2.7
168.26558	1.3
174.19524	1.3
177.05437	5.9
180.10191	11.2
181.33540	1.3
190.08644	1.5
192.06529	1.9
208.09676	27.5
236.61774	1.2
247.97751	1.2
278.08118	2.9
289.07294	4.7
291.09576	7.6
292.05936	1.9
295.10675	1.8
306.07574	19.1
307.08386	11.8
310.10519	1.7
315.09763	1.7
321.09949	40.5
322.10745	100.0
335.07742	2.9
350.10193	22.0
353.08829	2.5
368.11292	45.2
498.18695	37.6
530.16351	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89545	0.5
56.03385	0.6
63.32790	0.5
64.94338	0.5
111.07920	0.6
120.54526	0.6
131.30568	0.7
224.30455	0.7
226.68181	0.7
290.08273	1.5
291.09100	1.1
292.09799	2.8
305.07532	0.9
306.07736	2.8
308.12973	1.1
318.07703	1.4
319.08502	7.2
320.09149	31.0
321.09915	6.5
322.07111	3.9
324.08710	2.6
334.10718	15.9
335.07889	3.5
335.11658	8.1
336.12283	88.2
337.09525	1.5
338.06598	21.0
338.10190	2.0
353.08929	86.0
368.11276	100.0
440.12003	0.8
500.09729	0.9
530.17181	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52838	1.3
64.83555	1.7
69.03432	1.6
70.06605	12.8
71.05006	2.0
72.08136	1.7
84.08109	1.5
85.02874	6.5
97.02879	2.8
102.25507	1.6
120.08015	3.1
147.52719	1.7
159.57365	1.5
162.09903	1.9
162.11250	49.8
163.48412	1.7
167.23164	1.5
175.03809	2.5
207.06424	3.0
215.39357	1.7
278.08011	2.5
292.06122	2.4
306.07510	12.6
307.08224	6.7
310.10529	3.0
321.06653	2.0
321.09930	35.2
322.10727	88.5
324.16382	1.8
335.07657	3.6
350.10138	21.2
353.08682	7.4
368.11261	68.9
407.14023	1.7
530.16095	100.0
530.23053	3.5
530.43231	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33268	0.7
56.35941	0.8
60.05637	0.7
61.02924	1.3
63.21858	0.7
69.03433	5.3
69.10653	0.7
70.06599	9.6
71.97659	0.8
74.61346	0.7
78.04745	1.0
81.03405	1.2
85.02913	6.9
85.40527	0.8
86.09702	21.9
97.02890	4.0
109.02908	1.0
112.08748	1.0
115.08699	1.7
123.37244	0.8
128.10727	4.7
147.04416	1.0
162.05481	6.8
175.11850	1.1
177.05400	0.8
188.98828	0.9
192.27519	1.0
237.10115	0.8
245.12488	1.1
260.07236	0.8
278.08047	1.9
289.07349	3.5
292.05875	3.3
306.07550	15.1
307.08365	12.3
310.10797	3.2
321.09949	37.1
322.10718	100.0
324.08310	1.0
335.07816	3.1
350.10220	23.9
350.93213	1.0
353.09006	4.4
368.11264	40.1
368.15598	1.3
512.82233	1.0
522.34662	0.9
530.16528	97.4
530.33093	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92798	0.4
57.03432	0.4
61.02921	0.7
69.03423	4.1
81.03415	1.0
85.02927	5.6
86.40219	0.4
91.03931	0.5
97.02893	3.1
99.04433	0.5
106.96453	0.4
108.18555	0.4
109.02920	1.4
119.62608	0.4
127.03854	1.8
133.64043	0.5
181.42937	0.4
195.58583	0.5
217.50374	0.4
220.44438	0.4
228.50098	0.4
277.07370	0.5
278.08072	3.2
289.07379	3.1
292.06055	3.1
306.07584	17.7
307.08386	10.8
307.11771	0.5
310.10748	2.4
321.09964	38.7
322.10730	100.0
324.08777	0.7
334.07083	0.9
335.07877	3.3
337.09457	0.8
350.10242	24.2
353.08917	3.0
368.11282	44.9
530.16516	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25565	0.5
53.96558	0.4
55.98368	0.4
60.32434	0.4
74.69292	0.4
76.32712	0.5
104.37321	0.5
115.77474	0.5
147.04541	0.6
164.10661	0.5
175.03902	7.8
176.04654	1.1
193.07529	0.7
207.32846	0.5
208.93173	0.5
294.07733	0.7
296.65771	0.6
308.08911	0.5
318.07596	0.8
319.08350	0.7
320.09103	3.2
322.07028	0.7
329.40451	0.6
334.10645	2.5
335.07852	2.7
335.11407	0.8
336.12558	2.3
338.06641	6.1
340.11859	0.6
353.08936	34.6
354.13364	1.0
368.11304	100.0
390.51956	0.6
472.15149	0.7
484.15405	0.8
486.17679	3.6
498.16898	1.0
500.15445	3.7
506.40619	0.6
514.16589	5.8
515.18048	1.1
530.19501	18.5
550.38391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25184	0.5
55.01893	0.7
61.02921	1.1
67.35004	0.5
69.03433	3.3
78.78824	0.5
81.03413	1.3
85.02907	4.9
87.04472	0.9
97.02901	3.6
99.47534	0.6
109.02865	0.9
112.25603	0.5
117.54125	0.5
127.03979	0.8
162.05476	5.3
246.49496	0.6
277.07413	0.7
278.08200	3.3
278.11304	0.7
289.07321	2.3
292.06018	2.7
306.07568	15.6
307.08380	10.3
310.10883	3.3
320.09225	0.7
321.06094	1.0
321.09933	35.3
322.10721	96.1
334.07071	0.9
335.07779	2.5
337.09320	0.7
350.10202	20.3
353.08902	3.8
368.11298	40.3
530.16547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33268	0.7
56.35941	0.8
60.05637	0.7
61.02924	1.3
63.21858	0.7
69.03433	5.3
69.10653	0.7
70.06599	9.6
71.97659	0.8
74.61346	0.7
78.04745	1.0
81.03405	1.2
85.02913	6.9
85.40527	0.8
86.09702	21.9
97.02890	4.0
109.02908	1.0
112.08748	1.0
115.08699	1.7
123.37244	0.8
128.10727	4.7
147.04416	1.0
162.05481	6.8
175.11850	1.1
177.05400	0.8
188.98828	0.9
192.27519	1.0
237.10115	0.8
245.12488	1.1
260.07236	0.8
278.08047	1.9
289.07349	3.5
292.05875	3.3
306.07550	15.1
307.08365	12.3
310.10797	3.2
321.09949	37.1
322.10718	100.0
324.08310	1.0
335.07816	3.1
350.10220	23.9
350.93213	1.0
353.09006	4.4
368.11264	40.1
368.15598	1.3
512.82233	1.0
522.34662	0.9
530.16528	97.4
530.33093	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30305	0.3
82.75562	0.4
84.96571	0.3
119.43039	0.3
127.04474	0.3
186.76418	0.3
187.10999	0.4
231.17448	0.6
250.25485	0.3
269.18945	1.9
276.06494	0.7
287.20062	2.3
290.08063	11.3
302.07947	2.8
304.05981	9.9
318.07596	14.1
319.08380	56.5
320.09125	1.8
333.20557	3.8
334.10718	100.0
336.12366	0.5
512.17188	0.5
530.18158	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49245	0.3
59.18295	0.3
62.76946	0.3
63.98681	0.3
69.14523	0.3
81.52930	0.4
81.53448	0.3
173.79303	0.4
246.85918	0.3
291.08594	0.4
292.09616	8.6
304.09653	1.4
305.06439	0.5
306.07541	2.8
319.08224	1.4
320.09094	13.2
321.09930	20.9
334.10779	2.1
335.11029	2.6
336.12268	100.0
520.88141	0.4
530.17609	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54191	0.7
56.46267	0.7
64.42293	0.6
101.85375	0.7
145.11771	0.8
153.05495	0.9
157.13422	0.8
290.08093	7.6
302.08224	1.9
304.06027	10.5
306.07590	1.6
318.07565	15.1
319.08386	58.1
320.09146	10.9
333.10049	3.7
334.07361	4.5
334.10712	100.0
335.11438	5.1
336.12238	1.8
338.06619	1.7
350.10098	3.7
353.08954	9.0
368.11304	4.6
440.11276	4.0
454.09097	4.2
456.00867	0.9
468.10785	1.9
469.11710	3.2
470.08582	4.2
484.13687	4.0
486.11707	1.4
496.13925	1.4
498.11786	3.8
500.09659	14.7
512.16992	1.2
514.11249	3.5
530.17505	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1795
Annotation	CHEBI:69648
Peak:m/z	Relative Intensity
60.89144	0.7
63.18904	0.6
73.65198	0.7
84.04517	1.0
87.66809	0.7
88.93161	0.7
101.27822	1.0
119.16356	0.8
121.45100	0.7
146.95381	0.8
150.57666	0.8
154.06064	0.8
268.82254	0.8
278.08276	1.5
289.85672	0.8
290.08212	1.3
292.09891	3.7
304.06113	0.9
318.07901	1.3
319.08340	7.8
320.09149	41.0
321.10086	4.7
334.10681	15.2
334.13916	0.8
335.11520	15.8
336.12280	100.0
350.10657	4.2
353.09119	1.0
368.11496	3.7
375.59940	0.8
386.61859	0.9
453.08728	0.8
468.15408	1.0
484.14322	1.2
500.16696	0.8
514.14825	5.8
530.18390	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1818
Annotation	CHEBI:69648
Peak:m/z	Relative Intensity
50.03184	0.6
56.16492	0.7
58.06605	1.3
63.72311	0.8
64.65003	0.7
96.67962	0.8
187.06331	1.0
190.04933	13.1
195.04637	0.8
233.57167	0.9
277.22882	0.9
278.08139	3.4
290.08115	5.0
291.08731	1.1
292.09732	1.7
304.06039	4.7
306.07550	3.6
307.08356	8.3
318.07574	8.3
319.08374	21.9
320.09073	16.8
321.09631	5.1
322.10599	10.0
334.10721	100.0
335.07718	4.0
335.11334	5.8
336.12064	14.2
348.11957	1.1
350.10260	12.6
400.11734	5.7
402.09073	0.9
432.14423	26.2
442.10883	1.7
471.09256	4.4
512.09528	1.0
514.15045	1.0
529.67993	0.9
530.18518	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27704	0.3
80.72729	0.2
85.77562	0.2
92.20902	0.2
101.72866	0.3
138.83981	0.2
204.04189	0.2
237.76694	0.2
260.19159	0.3
278.08032	0.3
288.68439	0.3
291.09067	0.4
292.09705	2.9
293.10440	0.4
304.06100	0.4
306.07614	0.4
308.12796	1.5
318.07367	0.6
319.08304	2.8
320.09155	12.7
321.09988	6.5
334.10703	6.3
336.12289	100.0
410.40726	0.3
433.03281	0.3
530.18298	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1814
Annotation	CHEBI:69648
Peak:m/z	Relative Intensity
64.70299	0.7
85.35408	0.7
88.19942	0.7
106.56059	0.6
111.60813	0.7
120.63352	0.7
126.27411	0.6
128.25652	0.6
137.06007	11.2
170.11293	0.7
206.54079	0.7
210.86467	0.8
278.08163	2.9
291.08984	1.2
292.09833	1.5
306.07596	7.4
307.08499	4.2
308.09067	1.0
318.07681	1.0
319.08401	3.8
320.05814	1.5
320.09070	10.3
321.09686	9.8
322.10605	8.3
334.07077	2.6
334.10419	5.5
335.07971	1.8
335.11526	1.3
336.08609	1.1
336.12354	11.8
344.09573	1.0
350.10251	10.8
376.11823	4.5
422.10455	1.0
426.92328	0.9
453.11942	1.4
454.12646	5.0
456.14474	3.7
466.12610	1.1
468.14493	12.5
469.15326	1.0
472.17471	3.0
482.11786	1.2
484.14014	4.2
486.15692	6.8
497.15048	6.2
500.13583	1.8
512.16931	13.1
514.15143	3.7
515.15601	4.4
530.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05849	0.5
55.08813	0.5
55.79869	0.4
76.39269	0.5
89.24449	0.5
89.56590	0.5
92.48155	0.5
121.06511	0.9
133.10100	0.8
167.66335	0.5
190.04892	0.8
214.55685	0.6
268.97968	0.6
270.11389	0.6
292.09579	13.1
304.09610	2.2
306.07477	4.3
320.09125	15.3
321.09909	32.3
322.10440	0.6
334.10754	9.5
336.12277	100.0
337.12811	1.2
353.08969	0.6
368.07635	2.8
461.18359	0.7
530.17999	14.7
530.29944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55544	0.4
52.50408	0.3
53.35596	0.3
65.86899	0.4
69.03407	0.5
84.79412	0.4
85.02897	0.9
97.02901	1.7
127.03980	1.1
132.15155	0.4
154.40350	0.5
178.09821	0.5
179.71368	0.4
186.02966	0.4
195.28403	0.4
292.09674	13.4
304.09793	3.2
306.07578	4.4
319.08282	0.7
320.09152	18.2
321.09937	31.8
322.10751	4.1
334.10757	2.1
335.11093	0.6
336.12283	100.0
337.12494	0.9
350.10007	0.6
351.09949	0.6
472.93268	0.5
521.91846	0.6
530.18018	9.4
530.30463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46261	0.4
59.82812	0.3
72.88873	0.4
74.17211	0.4
74.24082	0.4
83.72392	0.4
160.64241	0.5
164.34705	0.4
236.82260	0.5
292.09671	5.1
296.78021	0.5
304.09586	0.5
306.07547	0.7
318.07681	0.8
319.08484	0.6
320.05569	10.8
320.09125	100.0
321.09985	5.6
334.10742	1.6
335.07800	13.9
335.11514	0.9
336.12250	21.0
345.37186	0.5
350.10150	7.5
368.07144	0.5
368.11603	1.3
442.16293	0.6
456.14145	1.8
468.14297	0.5
470.16226	0.5
471.16718	1.0
486.15582	0.8
500.13510	0.8
514.14984	2.0
515.16064	0.6
520.94574	0.5
530.17920	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1815
Annotation	Acrimarine C
Peak:m/z	Relative Intensity
55.77386	0.4
59.30850	0.4
63.32794	0.4
68.43935	0.5
70.82178	0.5
83.50607	0.5
117.46123	0.4
118.28378	0.4
121.38261	0.4
137.05962	9.3
278.07947	1.6
290.08179	1.9
291.08865	2.7
292.09610	2.8
304.06012	0.6
305.06253	0.6
306.07584	9.0
307.08359	3.4
318.07681	2.0
318.62344	0.5
319.08307	5.5
320.05576	1.6
320.09146	5.8
321.09708	5.0
322.10583	5.4
332.09131	2.4
334.07092	1.2
334.10696	7.7
335.07852	2.1
335.11285	1.9
336.12228	9.0
346.10828	1.0
347.11700	0.6
348.12360	0.7
350.10208	8.1
376.11826	3.0
388.12308	0.5
425.11771	0.5
436.11798	0.8
450.13181	0.9
451.14029	0.8
452.11191	0.7
453.12253	0.5
454.13022	3.0
456.14645	2.3
463.14185	0.7
464.11221	0.7
468.14523	9.7
469.15561	1.0
471.09341	1.0
472.13440	1.6
482.12186	2.2
484.13290	3.7
486.15320	7.3
497.14731	4.9
498.15356	2.9
500.13361	6.1
512.17242	8.6
514.14941	9.4
515.15710	5.1
522.36157	0.5
530.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75827	0.2
54.09567	0.2
61.48220	0.2
106.81767	0.2
123.62215	0.3
183.22147	0.3
190.74934	0.3
196.65265	0.2
278.08112	1.1
279.81558	0.2
285.69894	0.2
290.08249	0.5
291.08835	1.0
292.09631	3.7
306.07739	1.0
308.09122	0.3
318.07550	1.5
319.08392	2.1
320.09161	100.0
334.10733	3.5
335.11063	0.4
336.12173	0.6
350.10394	0.4
482.11401	0.3
500.08731	0.3
530.18439	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	1.1
59.22111	0.7
59.49924	0.8
68.25361	0.8
95.01311	0.7
106.42971	0.7
156.29515	0.7
190.05186	0.8
219.35005	0.7
262.30466	0.8
263.09494	3.2
264.06573	1.0
278.08502	1.1
279.09042	1.6
279.12534	0.8
290.08142	1.8
291.08841	1.7
292.09738	3.6
294.11395	4.3
304.06357	1.4
304.74060	1.0
306.07605	3.0
307.08578	1.6
307.12143	5.3
308.09293	1.0
318.07782	4.3
319.08359	8.8
320.09048	13.7
320.12799	1.1
321.09628	5.9
322.07404	1.1
322.10611	6.8
323.11661	3.5
326.09415	0.8
334.07059	3.5
334.10675	22.0
335.07687	1.0
335.11142	5.4
336.12234	17.1
350.10324	4.4
364.08102	0.9
368.11023	1.1
412.12265	1.3
440.11343	1.4
441.12521	1.3
454.13055	3.1
456.14511	6.9
462.53046	0.8
472.14392	3.1
482.12247	3.9
483.13440	1.3
486.15549	16.3
498.15475	7.7
500.13498	12.8
514.14923	23.5
515.15729	5.8
530.18158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60957	0.8
53.64397	0.8
62.92405	0.8
85.35957	1.0
100.25301	1.0
104.62247	0.9
104.87735	0.9
109.44189	0.9
137.06039	1.2
154.97011	1.0
206.54172	1.0
224.21454	1.0
263.09476	2.3
272.74777	1.0
278.08179	1.5
279.09042	1.3
290.08075	2.2
291.08902	2.1
292.09796	5.4
294.11368	5.1
304.06152	1.9
307.08734	1.4
307.12177	5.8
318.07825	2.1
319.08249	6.8
320.05295	1.5
320.08978	17.1
321.09814	8.4
322.10660	6.4
323.11777	3.8
334.10745	15.5
335.11011	13.8
336.12259	29.1
412.12137	1.4
428.14694	1.2
440.11356	4.1
454.13074	3.5
456.14450	7.4
465.10785	1.1
466.12973	1.0
468.10764	2.0
472.14365	3.7
482.12631	5.5
483.13129	1.2
486.15485	14.2
498.15506	10.1
500.13306	17.3
514.15027	25.9
515.15930	7.8
521.83826	1.0
530.18274	100.0
551.68829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1812
Annotation	CHEBI:69648
Peak:m/z	Relative Intensity
52.09403	0.6
58.06614	0.8
64.51248	0.7
106.10889	0.8
122.36673	0.9
129.09532	0.7
209.14946	0.7
227.98253	0.8
250.08673	4.6
264.06662	0.7
265.84973	0.8
278.08121	8.1
279.08850	15.2
292.09460	1.0
294.11246	100.0
295.80222	0.7
306.07559	3.0
307.08359	1.7
308.09012	0.8
318.07724	1.2
319.08279	2.9
320.09259	5.4
321.09592	1.8
322.10657	8.2
334.10773	6.0
335.11230	1.7
336.12317	9.7
337.12692	1.3
340.11588	1.2
444.72238	0.8
456.14502	1.7
482.12177	1.3
484.17697	1.2
486.15594	8.6
498.15222	4.1
500.13016	8.8
514.14905	14.1
515.16003	6.1
530.18042	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39633	0.2
56.55845	0.2
82.28461	0.2
88.38615	0.2
106.78739	0.2
118.03559	0.2
125.85138	0.2
149.00322	0.2
275.09338	0.2
278.08072	0.5
292.09637	11.9
304.09555	2.2
306.07657	3.9
306.11270	0.3
307.08255	0.3
318.07834	0.3
319.08350	0.3
320.05396	0.4
320.09152	13.7
321.09933	31.9
334.10648	1.0
335.11258	0.3
336.12277	100.0
453.09427	0.2
512.16693	0.3
530.18250	5.9
547.05450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1808
Annotation	CHEBI:69648
Peak:m/z	Relative Intensity
57.14425	0.5
72.43733	0.7
100.99861	0.5
135.69325	0.5
137.05974	1.2
276.06509	0.9
290.08075	10.7
302.08240	3.4
304.05933	10.6
318.07623	12.6
319.08380	55.1
320.09146	1.4
322.10794	0.8
334.10724	100.0
335.10986	1.0
336.12363	3.3
361.09772	0.7
468.14407	0.9
497.14496	0.8
513.47675	0.7
530.18146	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1814
Annotation	Acrimarine C
Peak:m/z	Relative Intensity
62.80405	0.6
70.66251	0.7
90.13445	0.5
134.39256	0.6
146.01347	0.7
159.75005	0.7
188.10748	0.6
215.16832	0.7
250.08675	5.0
278.08130	5.3
279.08902	17.1
291.08917	0.8
292.09448	0.9
294.11237	100.0
306.07571	2.5
307.08398	1.3
307.12057	2.5
308.09415	0.8
318.07593	1.2
319.08237	3.6
320.09122	5.8
321.09677	3.4
322.10669	5.1
323.11554	0.7
334.10800	8.3
335.11334	2.5
336.12262	10.8
340.11847	3.2
350.13647	1.5
441.12610	0.7
456.14148	1.5
468.18237	1.4
469.14984	1.1
479.36551	0.8
484.17499	8.3
486.14487	7.1
496.17358	1.4
498.15326	3.4
500.13229	4.7
500.17093	5.4
514.14252	14.5
515.15503	6.4
530.17535	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55544	0.4
52.50408	0.3
53.35596	0.3
65.86899	0.4
69.03407	0.5
84.79412	0.4
85.02897	0.9
97.02901	1.7
127.03980	1.1
132.15155	0.4
154.40350	0.5
178.09821	0.5
179.71368	0.4
186.02966	0.4
195.28403	0.4
292.09674	13.4
304.09793	3.2
306.07578	4.4
319.08282	0.7
320.09152	18.2
321.09937	31.8
322.10751	4.1
334.10757	2.1
335.11093	0.6
336.12283	100.0
337.12494	0.9
350.10007	0.6
351.09949	0.6
472.93268	0.5
521.91846	0.6
530.18018	9.4
530.30463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42050	0.5
69.03433	1.2
85.02930	2.4
92.21593	0.8
97.02898	1.0
123.83647	0.7
126.43435	0.6
127.03951	0.8
278.08270	0.9
285.64908	0.7
292.06100	0.9
306.07516	5.8
306.10754	0.7
307.08383	3.6
310.10825	1.4
311.39157	0.7
321.09949	13.4
322.10715	36.3
334.11133	0.8
335.07788	1.1
336.12195	4.2
350.10150	7.8
350.13983	1.4
352.11603	4.1
352.15582	2.8
353.08826	2.9
368.11160	18.4
368.15021	16.9
382.12833	1.4
486.17322	1.4
514.17035	8.2
515.17560	0.7
530.20782	100.0
540.05060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85701	0.4
69.03434	1.0
75.80348	0.5
77.16747	0.5
78.43319	0.5
85.02902	2.6
97.02866	0.6
104.33488	0.6
251.90067	0.6
306.07642	4.2
306.10709	0.8
307.08328	1.2
310.10831	1.0
320.09268	0.7
321.09845	8.9
322.10727	31.6
334.07260	0.8
336.12134	4.9
350.10168	6.0
350.13800	1.8
352.11884	4.3
352.15530	1.2
353.08813	2.9
368.11176	16.7
368.15002	12.5
382.12735	1.0
402.23642	0.6
486.17743	1.3
514.17255	6.5
530.20691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.4
58.06607	64.5
62.00681	0.6
67.05525	1.0
69.03436	3.5
70.06597	6.4
72.08170	1.3
76.08026	0.7
78.07135	0.7
83.04984	25.9
83.05444	1.4
84.08154	3.1
85.02913	0.9
86.09724	3.5
88.07641	5.2
99.04414	0.8
111.04436	19.2
111.05102	1.2
113.21983	0.7
129.10269	3.1
133.40698	0.7
137.06030	3.5
139.03955	4.1
157.25407	0.8
161.05962	1.1
166.08588	1.0
177.05507	1.0
187.44289	0.8
190.08777	0.8
204.06656	0.8
206.11801	1.2
212.25565	0.8
250.06410	1.0
251.07080	1.1
269.08008	0.9
279.06705	3.7
283.09647	1.5
293.08249	3.8
296.12665	0.8
301.07474	1.3
309.07718	3.4
311.09070	8.8
324.12207	1.0
327.08737	1.7
340.11984	1.3
368.11401	3.0
403.83838	1.0
457.15250	1.3
467.14102	1.2
480.16742	3.3
485.14841	1.2
512.19385	1.4
530.20374	100.0
530.33685	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32052	0.3
57.41775	0.3
76.03450	0.3
85.02953	0.4
93.46608	0.3
114.63303	0.3
123.29673	0.3
125.02110	0.3
176.07002	0.4
177.09131	0.4
274.06342	0.5
279.12262	0.4
279.20767	0.4
284.04944	0.4
294.11206	0.6
306.07861	0.4
308.12802	0.4
321.10004	1.8
322.10706	11.3
329.97455	0.4
334.10776	0.5
336.12302	3.3
337.13184	1.3
340.15457	0.5
350.10229	1.5
350.14108	1.4
352.11874	3.9
352.15576	2.5
354.13470	0.4
364.11850	0.7
368.11169	2.2
368.15033	14.1
382.12848	1.4
434.17538	0.4
486.17734	2.0
514.17090	8.5
515.18170	0.7
530.20319	100.0
542.75201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
92.74863	0.9
110.61416	0.8
149.11771	0.8
199.84743	1.0
206.45947	0.8
278.08069	1.0
290.08069	1.3
292.09610	4.0
294.10999	0.8
294.21024	0.8
304.09653	1.0
306.07666	1.1
306.11194	1.2
308.09030	1.1
310.10617	5.1
318.07730	1.5
319.08322	5.4
320.09265	9.6
320.12668	1.5
321.09821	7.2
322.10696	1.3
324.12521	1.3
334.10724	12.9
335.11166	4.1
336.08563	1.5
336.12280	22.4
337.12820	0.9
340.11856	9.9
350.13779	4.0
351.90112	0.8
440.15262	2.8
454.12439	1.7
468.18533	2.5
469.15240	4.6
472.17291	4.6
482.15897	1.7
484.17715	20.5
486.19351	13.4
496.17416	4.3
497.18060	1.8
498.18835	5.4
500.17050	25.2
514.18854	14.4
515.18854	1.6
530.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97812	0.9
120.12547	0.9
137.06000	0.9
174.26126	0.8
233.93359	0.9
292.09634	1.4
294.11240	1.6
307.08496	1.0
307.12091	2.0
308.09131	1.3
318.07715	1.3
319.08228	1.9
320.09198	8.6
321.09616	5.1
322.10516	1.6
323.11481	1.4
334.10660	8.1
335.11343	3.3
336.12250	17.2
352.11826	11.9
352.15823	1.3
367.14752	1.0
405.30914	1.0
440.11066	1.4
453.15747	7.5
454.16965	8.1
456.14362	3.7
466.16287	5.6
469.14822	1.5
470.16013	1.2
472.17593	10.8
484.17865	8.4
486.19711	16.6
498.18823	9.6
500.17593	33.0
514.19116	28.5
515.19055	5.0
530.22400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97812	0.9
120.12547	0.9
137.06000	0.9
174.26126	0.8
233.93359	0.9
292.09634	1.4
294.11240	1.6
307.08496	1.0
307.12091	2.0
308.09131	1.3
318.07715	1.3
319.08228	1.9
320.09198	8.6
321.09616	5.1
322.10516	1.6
323.11481	1.4
334.10660	8.1
335.11343	3.3
336.12250	17.2
352.11826	11.9
352.15823	1.3
367.14752	1.0
405.30914	1.0
440.11066	1.4
453.15747	7.5
454.16965	8.1
456.14362	3.7
466.16287	5.6
469.14822	1.5
470.16013	1.2
472.17593	10.8
484.17865	8.4
486.19711	16.6
498.18823	9.6
500.17593	33.0
514.19116	28.5
515.19055	5.0
530.22400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77810	0.6
67.05521	0.8
69.07078	0.7
70.06604	1.6
78.89778	0.6
79.63042	0.6
81.07088	0.7
83.38201	0.6
93.07074	1.2
105.07104	0.7
153.22401	0.7
292.09671	2.7
294.11163	1.1
319.08572	1.0
320.09308	2.8
320.12799	1.0
321.09811	4.9
322.07303	0.9
322.10559	5.7
334.10806	2.2
336.12244	14.1
337.12711	9.1
344.13055	0.7
350.24353	0.7
352.15729	4.2
360.12430	0.9
362.13916	1.6
376.15628	0.9
450.17233	1.1
454.16882	3.5
461.14075	0.7
468.18213	3.2
471.16983	0.8
472.17758	9.5
478.16678	1.2
479.17621	0.9
482.16348	5.4
486.19623	10.8
496.17645	6.2
497.18784	1.5
498.19272	3.3
500.17300	26.4
514.18927	29.1
515.19781	5.3
530.21973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20358	0.6
80.10782	0.5
97.71666	0.5
177.05586	0.7
265.99896	0.7
269.30432	0.6
290.08423	2.5
291.08862	0.8
292.09729	1.2
303.08490	0.7
304.06146	0.8
306.11429	0.7
310.10471	4.2
318.07834	3.0
318.11194	0.7
319.08386	9.3
320.08954	14.6
321.10031	2.4
322.10889	0.8
324.12302	4.7
334.07162	2.0
334.10703	13.0
334.14023	1.2
335.11084	14.7
335.14957	0.6
336.08569	1.2
336.12305	12.8
338.10373	1.2
350.13928	4.2
352.11932	2.0
422.14243	0.8
426.17465	0.8
440.15182	2.5
452.15198	0.7
454.13058	1.3
466.16733	1.1
468.18915	4.7
469.15561	3.5
471.17130	0.8
472.10492	0.7
472.17657	3.8
482.16406	1.3
484.17621	21.7
486.19305	13.5
496.17621	3.8
497.18463	2.0
498.19580	5.1
500.10464	1.5
500.17123	23.4
514.18793	14.0
515.19946	1.2
530.21869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
92.74863	0.9
110.61416	0.8
149.11771	0.8
199.84743	1.0
206.45947	0.8
278.08069	1.0
290.08069	1.3
292.09610	4.0
294.10999	0.8
294.21024	0.8
304.09653	1.0
306.07666	1.1
306.11194	1.2
308.09030	1.1
310.10617	5.1
318.07730	1.5
319.08322	5.4
320.09265	9.6
320.12668	1.5
321.09821	7.2
322.10696	1.3
324.12521	1.3
334.10724	12.9
335.11166	4.1
336.08563	1.5
336.12280	22.4
337.12820	0.9
340.11856	9.9
350.13779	4.0
351.90112	0.8
440.15262	2.8
454.12439	1.7
468.18533	2.5
469.15240	4.6
472.17291	4.6
482.15897	1.7
484.17715	20.5
486.19351	13.4
496.17416	4.3
497.18060	1.8
498.18835	5.4
500.17050	25.2
514.18854	14.4
515.18854	1.6
530.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57878	1.0
53.03956	3.2
61.02922	1.4
62.99842	1.1
69.03435	7.6
81.03428	10.3
85.02914	8.0
87.04478	1.7
91.05489	2.7
96.87891	1.3
97.02895	6.6
99.04456	67.6
103.78503	1.2
107.04980	3.1
109.02914	5.1
113.08990	1.3
116.07108	2.0
117.58452	1.1
119.04916	1.2
121.06508	14.7
127.03921	5.4
128.07080	5.8
134.06113	1.2
134.08141	6.3
135.04440	2.5
137.05981	78.9
145.05029	3.1
149.05984	2.5
152.07069	14.6
163.03816	1.6
164.07024	2.4
166.08627	77.1
183.13647	1.6
208.09695	1.7
212.85278	1.3
252.12270	5.6
269.06546	1.5
270.13400	31.7
288.37991	1.5
428.75854	1.3
464.51141	1.3
468.12897	1.4
512.21484	2.6
516.74310	1.7
530.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08364	1.3
54.70467	1.3
55.05506	2.3
57.03445	1.7
57.07076	6.3
67.05495	1.8
69.03445	3.2
69.07069	2.6
69.99807	1.7
73.02855	1.4
79.05492	2.3
81.07077	2.0
83.04983	2.2
83.08603	1.8
85.02900	3.5
85.06551	15.9
91.05476	20.5
104.16728	1.5
105.07049	3.0
107.08617	2.2
109.06518	3.2
111.08093	7.8
117.05450	1.6
127.07542	12.0
133.10136	100.0
143.26375	1.3
147.08006	2.2
149.09621	33.6
153.09122	8.1
171.10132	9.0
187.09862	1.7
189.11209	19.5
337.20078	14.5
392.71765	1.7
459.74136	1.9
485.29083	26.1
530.34528	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38006	2.6
61.06760	2.9
71.92400	2.7
80.54867	2.9
89.11341	2.8
120.39549	2.8
143.01852	11.1
145.03535	3.9
155.01904	7.6
161.02940	3.8
173.02979	12.5
175.02612	3.8
177.02211	3.3
177.05403	4.5
185.02928	15.2
193.03464	3.4
197.03021	4.8
201.02470	7.1
203.04019	16.4
205.03413	5.9
209.02821	5.9
211.04555	4.7
217.03500	4.6
221.03049	11.2
221.05104	33.0
223.04515	12.5
235.04410	30.6
239.04012	6.7
245.02904	5.5
245.05006	28.2
247.04456	7.0
251.03964	5.2
253.05556	26.6
263.03806	5.1
265.05594	6.8
267.07236	3.6
277.05533	6.9
279.07211	5.5
289.05649	23.3
293.05078	21.9
294.05826	89.7
295.06653	6.2
307.06693	4.3
311.05951	5.5
312.06598	4.0
317.04968	4.3
319.06583	35.8
333.06772	3.6
337.07626	88.9
347.06027	40.3
355.08731	72.2
365.07312	14.4
383.08179	96.9
401.09262	97.4
419.10431	21.9
446.91986	3.9
513.12140	5.7
531.12048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33348	0.3
60.86277	0.4
79.58543	0.3
86.67207	0.4
92.20989	0.6
95.08572	0.4
137.02354	8.2
137.03331	0.9
190.04955	1.4
191.05266	0.6
212.12349	0.4
305.09018	0.4
321.09683	0.7
322.10443	0.5
333.08731	4.8
334.09476	3.7
361.08167	4.8
362.08868	8.3
377.11313	100.0
469.10376	2.2
513.12927	29.5
531.14038	35.2
554.31171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05392	0.3
53.96662	0.3
70.35240	0.3
78.44699	0.4
86.10887	0.3
109.41184	0.4
158.01974	0.4
283.09650	100.0
301.60446	0.4
304.06052	0.4
307.12299	0.5
308.12439	1.5
319.08395	0.6
320.09039	1.6
321.09485	0.7
322.10190	0.8
334.10602	1.9
335.11084	1.5
336.12155	2.4
337.12564	3.3
444.62790	0.4
509.62088	0.4
531.14197	5.3
550.00696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14303	0.2
57.27150	0.2
64.61909	0.2
69.03433	0.6
69.84750	0.2
79.52823	0.2
83.40605	0.2
85.02905	0.4
89.03907	1.5
97.02898	0.4
116.63505	0.2
117.03371	5.5
127.03945	0.5
145.02855	43.6
149.06000	2.1
177.05467	100.0
195.06526	0.3
321.09668	1.1
339.10678	1.7
478.05710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15846	0.2
57.89428	0.2
66.23710	0.2
69.03427	1.4
85.02927	0.2
87.04478	0.4
89.03932	1.2
95.20734	0.3
99.04464	0.5
109.02892	0.3
117.03380	5.5
125.17980	0.3
127.03945	0.6
128.34348	0.3
132.97383	0.3
145.02852	42.8
149.05939	2.7
163.03860	0.4
168.26114	0.3
168.62685	0.3
177.05467	100.0
183.06500	0.4
321.09558	1.1
339.10678	1.4
439.95297	0.3
531.20819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1711
Annotation	Pikuroside
Peak:m/z	Relative Intensity
51.82200	0.1
51.93567	0.1
64.60388	0.1
66.24638	0.1
69.03437	0.9
80.66196	0.1
82.56515	0.2
85.02882	0.2
89.03915	1.6
97.02895	0.2
111.04434	0.2
117.03384	5.3
127.03908	0.4
134.03635	0.2
135.04356	0.2
145.02850	42.7
149.06006	2.6
163.03908	0.4
177.05467	100.0
182.05745	0.2
186.05524	0.2
195.06458	0.2
273.75800	0.2
321.09644	1.6
339.10779	1.9
369.11444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.8
83.04994	0.2
85.02910	0.4
89.03907	1.0
117.03363	5.2
125.08479	0.2
127.03902	0.3
134.03627	0.3
135.04454	0.2
145.02847	43.8
149.05995	2.8
153.77817	0.2
163.03900	0.3
177.05464	100.0
195.06517	0.2
261.07526	0.3
303.34790	0.2
321.09644	1.4
339.10681	1.6
351.10773	0.2
369.11911	0.3
417.07788	0.2
459.82187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59274	0.3
72.61819	0.3
121.72936	0.3
133.51030	0.4
292.09647	10.3
304.09741	2.2
306.07666	3.5
320.05453	0.6
320.09125	11.6
321.06262	1.5
321.09921	30.1
322.10309	0.7
335.07968	0.5
336.12274	100.0
337.12628	2.8
351.10757	0.4
352.15317	0.3
525.62128	0.4
531.17786	3.9
534.26898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59274	0.3
72.61819	0.3
121.72936	0.3
133.51030	0.4
292.09647	10.3
304.09741	2.2
306.07666	3.5
320.05453	0.6
320.09125	11.6
321.06262	1.5
321.09921	30.1
322.10309	0.7
335.07968	0.5
336.12274	100.0
337.12628	2.8
351.10757	0.4
352.15317	0.3
525.62128	0.4
531.17786	3.9
534.26898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	0.4
78.56763	0.3
81.03375	0.3
91.05476	0.4
99.04471	0.7
111.04482	0.3
118.06564	2.3
119.04958	0.5
121.02859	0.5
125.95563	0.3
145.07620	100.0
147.04437	0.7
162.05576	0.4
163.08659	9.8
175.03906	4.8
207.06557	3.3
325.13992	0.5
531.19775	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64222	0.3
69.50620	0.3
79.17283	0.3
79.35696	0.4
81.23638	0.4
94.72844	0.4
135.21936	0.4
175.03949	0.7
207.06398	0.8
230.77313	0.4
235.01305	0.4
269.01929	0.4
292.09735	0.7
294.11441	0.5
308.12799	13.2
320.09131	1.6
320.12778	2.2
321.09857	2.8
322.10678	9.4
334.10870	1.7
335.11319	0.5
336.12289	27.8
337.13052	33.8
338.14005	0.7
352.15421	100.0
388.49094	0.4
487.16187	0.4
501.13885	0.7
515.15253	0.8
531.19086	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78788	0.4
56.50359	0.3
56.69384	0.3
79.64930	0.3
88.46685	0.3
154.32910	0.4
226.03398	0.4
292.09607	3.2
293.10184	0.6
304.09634	0.6
306.07483	1.4
307.08160	0.6
307.11563	0.4
308.12817	14.7
319.08292	0.7
320.09052	5.9
320.12775	3.1
321.09863	10.0
322.10657	9.7
323.11685	0.5
331.08392	3.2
334.10812	2.0
335.11081	2.3
336.12280	45.0
337.12976	42.1
345.10297	0.4
346.10718	2.3
352.15436	100.0
360.12396	2.8
399.09543	0.5
415.09238	1.6
431.12524	0.8
513.17334	0.5
515.15161	0.5
531.14038	7.6
531.20111	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78788	0.4
56.50359	0.3
56.69384	0.3
79.64930	0.3
88.46685	0.3
154.32910	0.4
226.03398	0.4
292.09607	3.2
293.10184	0.6
304.09634	0.6
306.07483	1.4
307.08160	0.6
307.11563	0.4
308.12817	14.7
319.08292	0.7
320.09052	5.9
320.12775	3.1
321.09863	10.0
322.10657	9.7
323.11685	0.5
331.08392	3.2
334.10812	2.0
335.11081	2.3
336.12280	45.0
337.12976	42.1
345.10297	0.4
346.10718	2.3
352.15436	100.0
360.12396	2.8
399.09543	0.5
415.09238	1.6
431.12524	0.8
513.17334	0.5
515.15161	0.5
531.14038	7.6
531.20111	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64498	1.4
55.05515	2.1
55.11699	1.5
58.45356	1.2
62.18979	1.3
67.05513	11.3
69.07065	8.8
73.66812	2.0
79.05488	8.1
81.03424	12.0
81.07063	9.5
83.04982	6.7
91.05484	9.9
93.07044	11.2
95.04960	7.7
95.08581	6.3
104.82159	1.7
105.07055	3.5
107.08588	9.8
109.10163	9.8
110.17504	1.7
119.08577	100.0
119.17011	1.7
123.11712	2.2
125.09586	2.6
131.08560	2.6
132.75931	1.5
133.06496	9.9
133.10123	6.5
135.08119	2.4
145.58438	1.5
147.11670	3.3
149.85991	1.6
151.11169	14.7
161.13203	3.1
163.31593	1.9
165.12694	3.1
173.09534	1.5
175.14819	2.7
190.17978	1.8
230.56342	1.8
277.21570	20.0
300.75674	1.8
307.12155	1.9
351.25308	46.5
369.26300	2.2
371.02438	1.7
531.27753	3.9
531.37970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
58.09713	2.0
67.05502	14.6
69.07078	3.5
71.08633	20.9
79.05490	10.5
81.07058	19.0
83.04987	2.4
83.08618	2.2
86.57597	1.9
91.05468	4.1
93.07039	21.2
95.04978	2.3
95.08609	11.4
97.06509	2.6
99.08089	15.9
105.07041	2.4
107.07922	2.0
107.08600	13.9
119.08578	9.1
121.10130	13.9
133.10135	4.6
135.11681	14.2
149.13237	3.6
151.11171	9.0
161.13277	5.4
179.14296	48.1
179.52396	2.3
184.07350	3.1
257.99161	2.2
277.21600	20.9
351.25262	100.0
368.25272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
55.05508	2.8
60.20248	1.2
60.58168	1.2
63.06658	1.3
67.05513	19.0
69.07076	14.6
69.10826	1.2
70.60780	1.2
71.08624	1.7
79.05505	11.0
81.03419	11.2
81.07076	18.6
83.04981	3.4
83.08620	1.6
91.05477	3.1
93.07044	16.0
95.04970	23.3
95.08601	9.5
97.10204	3.2
99.08087	1.6
105.07043	8.8
107.08586	15.2
109.06526	3.1
109.10148	11.8
119.08579	9.0
121.10123	3.6
123.11724	2.8
125.09615	3.2
128.94479	1.5
133.10115	10.7
133.29865	1.5
135.11671	2.8
147.11716	3.5
149.13245	2.2
151.11185	28.9
161.13264	5.5
165.12747	5.8
231.21027	3.0
277.21606	29.6
320.09140	1.9
321.09479	2.2
321.60492	1.4
340.06497	1.5
351.25302	100.0
362.90329	1.5
369.26288	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54453	1.4
53.03961	2.0
53.09191	1.3
55.01860	1.4
55.05516	2.2
57.07077	1.8
65.12350	1.3
67.05502	17.8
69.07074	15.8
71.04985	1.4
71.08607	1.6
73.80790	1.6
74.53513	1.5
79.05514	11.5
81.03412	13.2
81.07057	18.9
83.04971	7.6
83.08620	2.9
85.10172	2.2
91.05492	5.9
93.07053	16.9
95.04959	18.7
95.08598	8.7
97.10181	3.8
105.07008	5.9
107.08612	14.8
109.06541	3.6
109.10169	11.9
111.08174	1.7
117.90686	1.5
119.08541	6.7
121.10149	7.7
123.11777	3.1
125.09632	6.5
131.08537	1.9
133.10095	12.6
135.11703	2.9
147.11676	7.9
151.11191	33.8
157.10242	1.5
161.13312	7.7
165.12779	2.8
171.11705	2.1
175.14787	3.0
179.14262	2.1
207.13672	2.5
231.20999	2.6
246.82448	1.9
249.22169	2.5
277.21609	36.2
346.45200	1.5
351.20935	3.4
351.25302	100.0
369.26340	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80322	1.3
59.53998	1.3
61.24796	1.2
63.47714	1.4
67.05490	1.3
73.43204	1.4
81.07058	2.9
83.08624	1.8
95.08604	2.6
101.32990	1.4
139.12907	1.5
142.91264	1.7
186.11440	2.1
197.96646	1.6
224.12576	51.0
252.15700	25.1
337.53119	1.7
358.49316	1.6
531.41254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96349	1.3
67.35860	1.3
67.54446	1.2
224.12563	80.5
227.93417	1.4
246.68625	1.5
252.15749	5.4
270.59787	1.5
316.57446	1.4
371.15161	1.4
494.85843	1.6
531.41296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60003	0.7
64.45990	0.6
86.15415	0.7
94.74483	0.7
155.81935	0.7
160.04007	1.1
165.05478	5.1
178.04991	23.8
206.04494	1.0
207.62044	0.7
216.75345	0.7
264.06412	0.9
270.00659	0.9
278.08160	3.4
280.06049	1.3
281.06848	1.3
282.63388	0.7
292.05969	1.1
306.07419	5.0
308.05487	3.1
309.06125	1.6
319.04782	1.0
334.07092	6.0
336.04904	1.0
337.05811	6.9
352.08151	100.0
370.09222	66.7
370.14072	1.0
382.23508	0.8
492.02316	0.8
532.14355	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60003	0.7
64.45990	0.6
86.15415	0.7
94.74483	0.7
155.81935	0.7
160.04007	1.1
165.05478	5.1
178.04991	23.8
206.04494	1.0
207.62044	0.7
216.75345	0.7
264.06412	0.9
270.00659	0.9
278.08160	3.4
280.06049	1.3
281.06848	1.3
282.63388	0.7
292.05969	1.1
306.07419	5.0
308.05487	3.1
309.06125	1.6
319.04782	1.0
334.07092	6.0
336.04904	1.0
337.05811	6.9
352.08151	100.0
370.09222	66.7
370.14072	1.0
382.23508	0.8
492.02316	0.8
532.14355	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88142	0.3
58.54562	0.3
62.72858	0.3
69.91628	0.3
95.46068	0.3
103.53194	0.3
107.71235	0.4
124.82001	0.4
135.28410	0.3
136.29402	0.4
143.47174	0.4
158.30977	0.3
160.03984	1.3
165.05464	6.3
178.04997	25.1
191.70825	0.4
206.04471	2.2
252.06511	0.4
259.16397	0.4
263.05795	0.5
264.06516	0.5
265.07422	0.4
278.08026	2.8
280.06052	1.7
280.09460	0.5
281.06821	1.3
291.05341	0.7
292.06058	1.5
293.06961	0.5
306.07642	4.9
308.05630	3.5
308.08759	0.6
309.06241	1.6
319.04776	1.6
324.08545	0.5
334.07175	4.9
335.07825	0.6
336.05139	0.7
337.05829	6.7
352.08157	100.0
370.09222	61.3
532.14734	6.1
532.22174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60003	0.7
64.45990	0.6
86.15415	0.7
94.74483	0.7
155.81935	0.7
160.04007	1.1
165.05478	5.1
178.04991	23.8
206.04494	1.0
207.62044	0.7
216.75345	0.7
264.06412	0.9
270.00659	0.9
278.08160	3.4
280.06049	1.3
281.06848	1.3
282.63388	0.7
292.05969	1.1
306.07419	5.0
308.05487	3.1
309.06125	1.6
319.04782	1.0
334.07092	6.0
336.04904	1.0
337.05811	6.9
352.08151	100.0
370.09222	66.7
370.14072	1.0
382.23508	0.8
492.02316	0.8
532.14355	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40176	0.3
67.27099	0.3
67.47128	0.3
71.35453	0.3
73.58893	0.3
108.09845	0.3
119.22266	0.4
144.06552	0.3
160.03993	1.5
165.05473	6.4
178.04979	25.4
206.04501	1.9
241.06644	0.3
248.07124	0.4
252.54727	0.4
263.05884	0.4
264.06583	0.7
265.07336	0.8
278.08130	2.8
280.05972	0.8
280.09244	0.4
281.06802	0.7
291.05182	0.8
292.06067	2.3
306.07590	4.6
308.05438	3.6
309.06363	1.4
310.07413	0.4
319.04672	1.7
324.08560	0.4
334.07104	5.5
336.04871	0.8
337.05789	7.2
352.08142	100.0
370.09207	58.9
410.56671	0.4
532.14673	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68511	0.5
63.26536	0.5
70.86961	0.6
72.04311	0.5
75.03769	0.5
87.04501	1.0
168.54292	0.7
173.03279	0.7
174.05545	0.6
186.05449	0.8
187.06302	3.7
221.03537	0.6
232.32269	0.6
279.08807	0.8
294.11227	5.6
320.09164	3.2
321.09259	0.6
322.09732	1.1
334.10727	6.0
336.12140	1.0
336.75955	0.7
337.12387	3.2
338.12836	3.4
353.10477	0.9
356.08789	0.8
371.11813	0.7
372.42377	0.7
380.09268	1.0
396.08374	1.4
399.10983	2.4
400.11816	3.3
408.08585	3.1
410.10104	1.2
411.10934	0.8
412.11856	0.8
423.11221	1.3
424.07495	2.0
428.11459	4.4
438.09543	1.0
439.10202	1.3
440.11124	3.5
453.12073	1.3
454.12912	6.5
456.10751	6.5
466.09283	0.7
468.10809	3.1
470.12247	4.7
471.13095	2.7
474.11676	1.2
481.11395	1.0
482.12317	3.5
484.10226	15.8
486.15369	1.2
498.11926	2.4
499.12399	6.7
502.11270	3.1
514.14978	48.5
517.13678	0.9
532.15936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1603
Annotation	(+)-Neoacrimarine-F
Peak:m/z	Relative Intensity
58.11130	0.8
60.21804	0.9
63.59959	0.9
77.94866	0.9
85.10988	0.8
186.05513	1.1
187.06306	3.7
213.77089	1.0
219.59134	1.0
233.12506	1.0
294.11185	1.7
314.57571	0.9
319.08401	1.1
320.09299	1.7
334.10934	6.7
352.11575	1.1
353.10278	1.4
368.86902	0.8
371.11627	1.2
381.09836	1.4
389.88852	1.0
399.10864	3.8
400.11932	3.3
400.17258	0.9
403.01025	0.9
408.08594	1.3
410.10260	1.5
411.11185	1.8
423.11298	1.4
428.11353	4.8
438.10123	3.2
439.10486	3.9
440.11136	4.8
442.12701	1.2
453.12082	4.2
454.12970	7.1
456.10632	5.4
468.10712	1.3
470.12424	4.8
474.11514	1.6
482.12375	4.5
484.10275	19.5
486.15668	1.0
498.11758	2.2
499.12585	3.8
502.11362	2.2
514.14941	61.0
532.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00397	0.4
90.19943	0.4
92.20959	0.6
93.17890	0.5
113.37704	0.5
121.64883	0.5
163.90784	0.5
173.04340	0.5
178.06319	1.2
191.07039	0.8
192.07930	0.6
218.77008	0.6
222.01990	0.5
238.08539	0.6
264.06357	0.7
266.08096	30.0
279.08932	1.0
282.05234	0.7
292.06140	0.9
292.09695	2.7
293.06906	0.6
294.07584	61.8
295.08405	5.3
296.09216	2.6
297.07657	0.8
308.08994	0.6
319.08380	0.8
320.09174	100.0
322.07120	7.1
323.07843	2.1
334.07077	0.9
334.10748	2.7
336.08691	2.0
336.12393	0.8
364.08212	1.2
440.11917	0.6
504.16428	0.9
532.15887	57.3
532.23309	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22681	0.4
51.52961	0.4
58.06601	0.5
71.35463	0.4
75.71276	0.5
86.09695	0.8
102.52901	0.5
131.83488	0.6
184.07376	0.9
190.40540	0.6
228.84073	0.5
240.72313	0.5
264.94836	0.5
294.07596	23.5
294.10925	0.8
319.08252	1.0
320.09137	7.2
322.07089	100.0
326.00378	0.5
334.10590	1.1
336.08667	0.6
336.12405	0.7
338.13519	0.6
350.06519	1.2
352.11353	0.6
364.07968	1.0
487.12152	0.6
502.14990	3.0
514.14478	0.6
532.15656	3.5
532.23138	3.0
532.38354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1604
Annotation	Lamellarin K
Peak:m/z	Relative Intensity
63.33654	0.6
65.45798	0.6
68.14496	0.5
89.57484	0.6
92.21468	0.7
134.42099	0.7
137.89473	0.6
139.40761	0.7
166.36136	0.6
280.09680	10.8
292.09848	4.8
293.10333	1.4
294.07928	1.6
294.11331	3.0
307.12030	3.1
308.09302	15.4
308.12772	3.1
309.09946	32.5
319.08212	1.3
320.09192	3.4
320.12726	0.8
321.09891	5.3
322.10629	6.9
323.11511	8.5
324.12299	100.0
334.10773	4.4
336.12299	64.5
337.12964	8.9
338.13861	21.9
375.04175	0.7
458.15903	3.5
458.71616	0.7
472.13828	1.5
486.15213	2.8
487.16138	3.5
502.19037	7.1
532.16443	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11130	0.8
60.21804	0.9
63.59959	0.9
77.94866	0.9
85.10988	0.8
186.05513	1.1
187.06306	3.7
213.77089	1.0
219.59134	1.0
233.12506	1.0
294.11185	1.7
314.57571	0.9
319.08401	1.1
320.09299	1.7
334.10934	6.7
352.11575	1.1
353.10278	1.4
368.86902	0.8
371.11627	1.2
381.09836	1.4
389.88852	1.0
399.10864	3.8
400.11932	3.3
400.17258	0.9
403.01025	0.9
408.08594	1.3
410.10260	1.5
411.11185	1.8
423.11298	1.4
428.11353	4.8
438.10123	3.2
439.10486	3.9
440.11136	4.8
442.12701	1.2
453.12082	4.2
454.12970	7.1
456.10632	5.4
468.10712	1.3
470.12424	4.8
474.11514	1.6
482.12375	4.5
484.10275	19.5
486.15668	1.0
498.11758	2.2
499.12585	3.8
502.11362	2.2
514.14941	61.0
532.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
74.95197	0.6
91.23273	0.6
96.96434	0.7
114.09164	2.7
134.89375	0.6
163.07541	1.6
190.04996	3.2
202.04962	7.4
216.06537	0.7
250.08629	1.1
251.10713	1.2
278.09143	0.9
279.08905	1.5
292.09702	0.7
294.08038	1.8
294.11197	26.3
306.07559	2.4
307.08456	1.1
308.09244	0.9
309.11029	3.3
318.07623	3.0
319.08368	8.8
320.09222	16.7
321.09967	10.6
322.07135	1.9
322.10669	13.5
334.10614	4.5
335.07693	0.8
336.08603	7.1
336.12222	2.9
337.09390	5.7
337.12415	1.6
338.12985	1.3
350.10223	5.3
352.11780	100.0
395.69193	0.7
464.07407	0.7
488.16873	1.1
516.16083	1.0
532.19849	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99680	0.7
55.75357	0.7
62.62214	0.7
70.06583	1.1
70.84745	0.7
83.32421	0.8
92.21534	1.1
130.80777	0.8
136.05202	0.9
137.64861	1.0
145.07654	1.9
178.05022	1.5
199.46266	0.8
275.09344	1.0
276.06561	8.6
276.09976	1.6
278.08206	4.2
290.08258	1.8
291.08902	14.7
292.06125	1.8
292.09653	0.9
304.06094	21.0
304.09497	2.6
305.10242	1.4
306.07626	29.7
306.11176	2.5
307.08371	20.2
319.08377	99.6
320.09174	39.1
321.09958	23.1
322.07202	1.8
322.10718	36.7
334.10706	50.9
334.14590	1.9
335.11450	15.8
338.10336	6.1
352.08105	10.4
352.11798	100.0
370.09033	6.8
370.13092	7.6
377.22842	1.1
427.69339	0.9
514.17096	21.9
532.18103	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99680	0.7
55.75357	0.7
62.62214	0.7
70.06583	1.1
70.84745	0.7
83.32421	0.8
92.21534	1.1
130.80777	0.8
136.05202	0.9
137.64861	1.0
145.07654	1.9
178.05022	1.5
199.46266	0.8
275.09344	1.0
276.06561	8.6
276.09976	1.6
278.08206	4.2
290.08258	1.8
291.08902	14.7
292.06125	1.8
292.09653	0.9
304.06094	21.0
304.09497	2.6
305.10242	1.4
306.07626	29.7
306.11176	2.5
307.08371	20.2
319.08377	99.6
320.09174	39.1
321.09958	23.1
322.07202	1.8
322.10718	36.7
334.10706	50.9
334.14590	1.9
335.11450	15.8
338.10336	6.1
352.08105	10.4
352.11798	100.0
370.09033	6.8
370.13092	7.6
377.22842	1.1
427.69339	0.9
514.17096	21.9
532.18103	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99680	0.7
55.75357	0.7
62.62214	0.7
70.06583	1.1
70.84745	0.7
83.32421	0.8
92.21534	1.1
130.80777	0.8
136.05202	0.9
137.64861	1.0
145.07654	1.9
178.05022	1.5
199.46266	0.8
275.09344	1.0
276.06561	8.6
276.09976	1.6
278.08206	4.2
290.08258	1.8
291.08902	14.7
292.06125	1.8
292.09653	0.9
304.06094	21.0
304.09497	2.6
305.10242	1.4
306.07626	29.7
306.11176	2.5
307.08371	20.2
319.08377	99.6
320.09174	39.1
321.09958	23.1
322.07202	1.8
322.10718	36.7
334.10706	50.9
334.14590	1.9
335.11450	15.8
338.10336	6.1
352.08105	10.4
352.11798	100.0
370.09033	6.8
370.13092	7.6
377.22842	1.1
427.69339	0.9
514.17096	21.9
532.18103	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76120	0.3
57.03409	0.5
58.06597	0.4
59.28759	0.3
61.02929	2.0
61.78259	0.4
62.86053	0.3
69.03437	4.7
71.84445	0.4
73.02917	1.0
75.88879	0.4
81.03429	1.0
85.02914	7.0
87.04467	2.1
92.21014	0.8
97.02887	3.4
99.04448	1.1
109.02909	0.6
119.04940	0.7
127.03925	2.6
132.08160	0.6
135.04428	0.5
138.08223	0.5
149.05971	12.8
149.07089	0.8
150.12434	0.4
151.03903	1.0
163.03938	2.4
165.05481	1.7
175.03938	2.3
175.06163	0.6
176.07187	0.6
177.07793	0.8
178.08554	0.5
181.04951	17.7
188.07060	15.3
189.07822	3.3
190.08635	14.2
190.10399	0.6
191.03470	0.8
202.08609	1.9
204.06593	0.8
206.08109	4.8
222.07494	0.6
224.06123	0.5
251.06897	0.8
253.08653	0.5
263.07101	1.6
269.08081	0.7
279.06558	0.5
281.08203	1.8
283.06009	2.1
291.06439	8.1
293.08163	1.0
294.11194	0.6
295.57489	0.4
299.09372	0.5
309.07626	1.9
311.09085	1.6
321.07620	2.9
322.10727	0.6
334.07089	0.6
337.09381	0.5
337.72696	0.4
339.08493	1.8
350.47375	0.5
352.08090	1.5
352.11880	4.3
370.12830	48.4
373.91190	0.4
457.44092	0.5
488.29443	0.5
532.18073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76120	0.3
57.03409	0.5
58.06597	0.4
59.28759	0.3
61.02929	2.0
61.78259	0.4
62.86053	0.3
69.03437	4.7
71.84445	0.4
73.02917	1.0
75.88879	0.4
81.03429	1.0
85.02914	7.0
87.04467	2.1
92.21014	0.8
97.02887	3.4
99.04448	1.1
109.02909	0.6
119.04940	0.7
127.03925	2.6
132.08160	0.6
135.04428	0.5
138.08223	0.5
149.05971	12.8
149.07089	0.8
150.12434	0.4
151.03903	1.0
163.03938	2.4
165.05481	1.7
175.03938	2.3
175.06163	0.6
176.07187	0.6
177.07793	0.8
178.08554	0.5
181.04951	17.7
188.07060	15.3
189.07822	3.3
190.08635	14.2
190.10399	0.6
191.03470	0.8
202.08609	1.9
204.06593	0.8
206.08109	4.8
222.07494	0.6
224.06123	0.5
251.06897	0.8
253.08653	0.5
263.07101	1.6
269.08081	0.7
279.06558	0.5
281.08203	1.8
283.06009	2.1
291.06439	8.1
293.08163	1.0
294.11194	0.6
295.57489	0.4
299.09372	0.5
309.07626	1.9
311.09085	1.6
321.07620	2.9
322.10727	0.6
334.07089	0.6
337.09381	0.5
337.72696	0.4
339.08493	1.8
350.47375	0.5
352.08090	1.5
352.11880	4.3
370.12830	48.4
373.91190	0.4
457.44092	0.5
488.29443	0.5
532.18073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99680	0.7
55.75357	0.7
62.62214	0.7
70.06583	1.1
70.84745	0.7
83.32421	0.8
92.21534	1.1
130.80777	0.8
136.05202	0.9
137.64861	1.0
145.07654	1.9
178.05022	1.5
199.46266	0.8
275.09344	1.0
276.06561	8.6
276.09976	1.6
278.08206	4.2
290.08258	1.8
291.08902	14.7
292.06125	1.8
292.09653	0.9
304.06094	21.0
304.09497	2.6
305.10242	1.4
306.07626	29.7
306.11176	2.5
307.08371	20.2
319.08377	99.6
320.09174	39.1
321.09958	23.1
322.07202	1.8
322.10718	36.7
334.10706	50.9
334.14590	1.9
335.11450	15.8
338.10336	6.1
352.08105	10.4
352.11798	100.0
370.09033	6.8
370.13092	7.6
377.22842	1.1
427.69339	0.9
514.17096	21.9
532.18103	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71424	0.2
61.56323	0.2
72.61259	0.2
118.88079	0.2
132.96246	0.2
133.47871	0.2
277.10983	0.3
280.09637	0.3
294.11227	13.7
306.11093	2.7
308.09143	6.0
308.12387	0.4
309.09879	0.4
320.09000	1.2
321.09576	0.3
322.06769	0.4
322.10706	16.4
323.11505	38.7
335.11209	0.3
336.12216	1.9
337.13168	0.4
338.13843	100.0
532.20428	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.197
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49845	0.6
95.86504	0.7
112.77798	0.6
119.74171	0.6
131.22571	0.8
192.54442	0.6
202.05127	0.8
250.08661	0.7
278.08377	3.0
279.09039	3.8
294.11240	99.2
306.07593	1.1
307.08517	3.3
308.09302	1.4
308.12885	0.8
318.07687	2.8
319.08527	4.2
320.09293	12.3
320.12744	2.3
321.09872	3.4
322.10718	94.6
323.11514	4.8
324.12488	2.7
334.10712	11.7
336.12180	5.9
337.09164	1.2
337.12781	2.7
338.13397	3.5
352.11844	10.9
395.38815	0.8
470.16336	1.2
488.17365	1.3
498.15549	1.1
516.16150	2.8
532.19812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94968	0.5
55.62236	0.5
132.32896	0.6
206.04478	13.1
234.03998	0.9
292.09622	4.5
293.10349	2.3
294.11224	14.3
294.14191	0.6
306.11252	2.4
307.08765	1.1
307.12183	3.5
307.22836	0.7
308.09232	6.0
308.12924	6.6
310.14670	0.7
319.08521	1.6
320.09232	3.8
320.12717	2.3
321.09906	13.7
322.10666	20.6
322.14056	1.0
323.11490	34.4
334.10757	4.9
336.12283	100.0
337.13068	9.8
338.13843	93.1
350.14111	0.9
370.09155	2.8
436.34933	0.7
458.16000	3.3
472.14087	1.4
486.15466	4.1
487.16547	3.5
488.17715	1.0
502.18832	9.4
517.17578	0.8
532.19739	79.0
537.61694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
94.76389	0.5
102.71078	0.6
107.07676	0.6
154.36487	0.6
161.20909	0.5
169.60417	0.6
180.00816	0.5
185.42267	0.5
250.08649	4.1
278.07947	3.7
279.08881	13.5
291.09009	0.6
294.11240	91.9
307.08463	1.2
308.09171	0.8
318.55945	0.6
320.09003	4.1
322.10785	7.9
323.11603	3.9
324.12091	0.7
470.15942	2.3
482.16470	0.9
484.14035	3.3
488.17087	7.2
498.15433	2.4
500.16916	3.1
502.14761	7.1
514.18579	0.7
516.16620	12.1
517.17383	5.7
532.19708	100.0
542.04279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23589	1.1
55.99331	1.1
123.55611	1.2
129.81728	1.2
205.78001	1.3
207.40247	1.2
267.93723	1.4
290.08252	1.9
292.09711	5.3
293.10373	1.7
294.11389	6.3
307.08310	1.8
307.12009	1.8
308.09189	5.9
308.12936	6.8
309.10086	1.5
319.08499	6.9
320.09406	10.9
320.12769	1.8
321.09848	13.2
322.10678	11.4
323.11646	17.5
324.12485	7.0
334.10693	16.5
335.11255	5.8
336.12274	100.0
337.12866	10.0
338.13821	37.2
458.16022	2.4
486.15698	2.8
487.16220	4.7
502.18884	6.3
532.19757	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78297	0.2
55.67230	0.1
60.10596	0.2
66.63155	0.2
70.56776	0.2
73.44766	0.2
77.70625	0.2
102.27950	0.2
102.37455	0.2
111.03896	0.2
144.84061	0.2
175.83615	0.2
179.99063	0.2
240.55232	0.2
277.10980	0.2
279.08972	0.4
293.10526	0.2
294.11203	13.4
306.11163	2.8
307.12033	0.2
308.05878	0.2
308.09140	5.9
308.12646	0.2
322.10706	15.1
323.11484	40.2
334.10614	0.3
336.12320	1.1
338.13818	100.0
439.90680	0.2
458.16498	0.2
532.19635	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55259	1.0
71.53051	1.0
129.52603	1.1
135.70403	1.2
167.10881	1.2
278.08270	6.2
279.08908	1.4
290.08124	1.1
292.09744	1.2
294.11224	73.7
306.07715	4.5
307.08527	3.9
308.09290	2.3
308.12656	1.5
319.08438	2.4
320.09244	15.2
320.12988	14.0
321.09863	7.4
322.10712	80.2
323.11487	23.1
323.14722	1.4
324.12445	4.4
334.07141	5.4
334.10922	9.5
335.11331	6.5
336.12256	63.6
337.12988	4.4
338.13559	2.4
349.09378	1.4
352.15485	7.5
353.08087	1.5
354.08466	1.2
434.16290	1.1
436.52347	1.2
468.17007	1.2
502.14468	1.2
514.18872	5.6
532.19745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26778	0.3
54.72793	0.4
58.06521	0.4
60.37597	0.4
65.29632	0.4
69.86294	0.5
76.79002	0.4
103.35803	0.4
137.05869	0.5
137.21146	0.5
148.79497	0.5
159.88388	0.4
244.30161	0.5
251.63991	0.5
262.53601	0.5
282.44394	0.5
308.09076	3.9
309.09912	4.2
320.09109	7.4
321.09805	0.7
324.12271	29.0
331.46268	0.5
334.10785	1.7
336.08621	5.1
336.12302	3.6
337.09332	2.2
337.12872	0.6
338.92700	0.5
352.11765	100.0
377.28030	0.5
463.23370	0.5
532.19788	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91272	2.2
67.05488	2.1
68.94409	1.9
69.07056	2.2
89.67746	2.0
90.74045	1.9
122.06017	4.0
140.07069	3.6
169.12242	2.9
200.38960	2.3
220.03819	3.1
242.25063	2.8
320.09268	4.8
369.16321	3.0
374.10071	5.0
401.08942	11.7
416.11160	13.1
418.09540	2.9
432.10873	4.5
434.12802	4.3
444.10623	11.7
454.16043	2.6
456.10730	55.5
470.12308	11.5
482.15851	3.8
484.14014	3.0
486.19406	4.8
514.18585	100.0
532.19684	72.7
532.27472	5.2
532.43054	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08298	0.6
56.77376	0.6
62.57524	0.6
78.86984	0.7
79.35693	0.6
99.86459	0.7
176.07095	2.9
250.08713	1.5
278.08249	3.3
279.08829	7.7
294.11237	97.5
301.05554	0.7
307.08438	1.3
320.09119	8.3
322.10742	60.9
323.11542	5.1
334.10699	1.2
336.12329	2.7
349.11981	1.5
352.15402	1.3
484.14224	1.6
488.17310	5.9
498.15967	1.6
500.17447	2.7
502.15091	4.1
516.16565	6.1
517.17413	1.7
532.19720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32920	0.8
57.03711	0.8
62.47616	0.9
63.98843	0.9
81.01561	1.2
104.15904	1.0
123.84689	1.1
213.75937	1.2
292.09579	6.3
293.10446	12.9
294.11151	11.2
306.07648	2.1
306.11179	6.1
307.08362	4.5
307.11938	1.8
308.09082	5.5
308.12823	14.6
309.09875	1.9
319.08432	6.0
320.09164	18.0
320.12613	2.7
321.09836	13.5
322.07199	1.6
322.10721	32.1
323.07755	2.0
323.11517	33.7
330.40762	1.1
334.10782	14.7
335.11438	18.2
336.12265	70.9
337.10071	1.3
337.13110	21.2
338.13843	79.7
350.13943	13.7
458.16199	1.4
472.13818	4.9
486.15607	4.9
487.16187	5.3
488.16727	1.7
502.18677	11.2
532.19885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40596	0.5
61.42567	0.4
62.90788	0.5
75.17329	0.6
85.02901	0.7
89.69714	0.6
105.32293	0.5
109.76952	0.5
136.35663	0.6
157.76961	0.6
210.12579	0.6
219.48843	0.7
223.61943	0.6
246.37730	0.7
250.14314	0.5
278.08176	3.1
279.09076	2.3
292.09866	0.8
294.11249	91.2
307.08395	1.3
308.09277	0.7
320.09268	2.4
320.12933	4.7
321.10071	3.2
322.10739	100.0
323.11478	9.5
324.12292	1.1
334.10898	1.3
336.12289	10.2
342.13388	16.9
352.11838	2.2
370.12823	11.6
401.51825	0.6
458.12521	0.7
472.16809	0.7
514.18713	3.1
525.04132	0.6
532.19727	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45012	0.8
57.16223	0.8
58.06616	1.1
61.88633	0.8
82.76323	0.8
92.20857	1.5
98.86880	0.9
167.49788	1.1
191.06982	1.2
250.08632	4.3
255.90260	1.0
278.08340	4.1
279.08908	12.6
294.11227	100.0
307.08588	1.2
307.11853	1.2
308.09216	1.4
320.09256	3.8
322.10748	10.0
323.11581	5.6
336.12457	3.8
349.11734	2.3
470.16306	1.4
484.14346	2.2
488.16745	9.9
498.15585	2.3
500.16940	1.9
502.14838	7.5
516.16571	12.3
517.17334	5.6
528.83661	1.0
532.19745	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84542	0.7
93.10027	0.8
101.73341	0.8
112.91344	0.8
140.83629	0.8
153.54276	0.8
165.18492	0.8
180.66772	1.0
190.05107	0.9
198.09322	0.8
202.05090	4.3
227.21159	0.8
229.66103	0.7
250.08546	1.4
251.85306	0.9
265.07315	1.1
278.08313	4.2
279.08868	14.2
294.11240	90.7
306.07889	0.9
307.08340	1.4
318.07755	1.3
319.08566	4.7
320.09210	27.6
320.12817	1.6
321.10074	5.6
322.10699	9.5
323.11581	3.8
334.10764	1.5
336.08731	3.4
336.12357	1.6
338.12973	1.5
350.10269	3.0
352.11792	46.6
470.16217	1.6
484.14041	3.9
488.17160	7.5
498.15820	3.2
500.17459	3.4
502.15073	6.0
507.04361	1.0
516.16681	10.7
517.17358	6.2
532.19751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74475	0.4
50.84311	0.5
58.06610	1.1
86.60980	0.5
94.25259	0.5
170.91327	0.5
220.35609	0.6
278.62085	0.5
294.11124	1.0
308.09238	2.9
309.09863	4.5
319.08203	0.7
320.09161	12.4
321.09784	1.9
322.07077	0.7
322.10553	1.0
324.12280	31.2
334.10739	1.8
336.08804	2.1
336.12473	2.9
337.09418	2.1
337.13055	0.7
338.10193	0.6
352.11786	100.0
532.19562	56.3
548.23639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63252	0.7
63.36029	0.7
104.67793	0.8
120.59649	0.7
154.32547	0.7
192.44873	0.8
248.33556	0.8
250.08607	3.0
278.08246	3.7
279.08920	10.5
289.05539	0.9
292.09598	1.5
294.11240	88.2
306.07831	0.8
307.08755	1.0
308.12759	0.9
320.09177	19.7
321.09344	5.5
322.10684	15.2
323.11392	3.4
334.10837	1.8
336.12131	12.3
337.12579	18.0
338.12860	21.6
470.16342	1.1
484.14337	1.8
488.17181	7.5
498.15759	1.4
499.16101	0.9
500.17239	1.3
502.15021	5.1
514.14923	1.1
516.16632	9.6
517.17493	5.0
532.19757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12355	0.4
59.64772	0.3
61.12629	0.3
72.80973	0.4
79.75948	0.4
88.64495	0.4
144.94055	0.4
168.41301	0.4
206.68114	0.4
225.56302	0.4
238.36620	0.4
292.09686	3.0
306.07639	2.1
319.08350	0.7
320.09161	100.0
334.07053	2.3
334.10748	1.7
336.12292	0.5
441.11713	0.6
456.14130	1.5
466.13065	0.8
469.11493	1.8
470.16000	0.6
472.13889	4.0
484.13898	27.9
486.15363	0.6
487.16080	1.8
499.16309	6.3
502.14923	1.9
517.17072	2.3
532.22852	29.4
540.23041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70611	0.4
58.71618	0.5
61.10104	0.5
80.47766	0.6
250.08681	3.2
264.06631	0.7
278.08228	3.7
279.08893	15.1
292.09491	1.2
294.11224	100.0
307.08389	1.4
320.08978	0.6
321.09723	2.3
322.10608	9.1
323.11438	4.2
335.11298	0.7
336.12158	8.1
337.12555	12.8
338.12830	15.3
342.85831	0.6
470.16223	1.0
484.14023	2.9
488.17416	5.5
498.15594	3.6
499.16397	1.2
500.17050	0.9
502.14893	7.4
516.16516	10.3
517.16901	4.5
532.19672	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24101	0.6
53.58776	0.5
57.55241	0.5
58.06627	0.6
63.57078	0.6
69.00597	0.6
69.83147	0.5
76.76720	0.6
104.56891	0.6
115.00356	0.6
115.34225	0.6
237.87126	0.8
280.09833	3.1
281.10532	5.2
294.07996	1.3
294.11258	3.8
307.08548	0.7
308.09283	6.1
308.12335	0.8
309.09906	11.1
318.07578	1.1
319.08411	2.6
320.09195	8.3
321.09637	1.0
322.07407	1.1
322.10629	5.5
323.11646	1.4
324.12296	82.1
334.10818	3.6
336.08682	2.1
336.12405	4.8
337.09595	3.7
337.13095	2.7
338.13763	3.7
352.11771	36.9
352.15393	3.7
458.16479	0.8
468.60645	0.7
470.16306	1.3
473.10596	0.7
474.15668	0.8
484.14597	0.9
488.17197	5.2
500.16931	0.8
502.15121	6.2
514.18042	0.7
516.16425	9.5
517.17493	5.7
532.19647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.1
56.84120	0.6
58.06610	0.7
62.59778	0.7
69.03432	5.7
71.04974	1.3
75.61317	0.8
79.94681	0.6
81.03429	12.7
82.39761	0.7
85.02901	6.3
95.08630	0.8
97.02878	6.3
99.04459	56.1
107.04956	71.2
109.02895	3.3
113.18130	0.7
121.06510	4.0
123.04417	10.7
127.03925	4.1
137.05997	1.2
143.04926	6.5
145.05376	0.9
145.06483	9.9
149.06032	1.6
151.86136	0.8
161.05966	25.7
164.07091	3.2
169.04968	1.0
169.47870	1.0
190.08771	1.0
206.11687	0.8
209.09621	1.3
237.09180	4.2
255.07504	1.6
255.10150	39.1
272.12781	21.5
298.21927	0.7
305.72348	0.8
309.19839	0.9
352.08188	1.4
532.21875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
59.09489	0.8
68.76353	0.8
69.03432	4.0
73.57932	0.9
80.91247	0.8
81.03421	8.6
85.02911	5.7
97.02891	2.0
99.04453	43.5
107.04953	51.2
109.02876	1.5
110.06077	1.1
121.06474	2.1
123.04411	8.7
127.03906	3.4
139.89592	1.1
143.04935	12.9
145.06506	8.0
161.05968	10.5
164.07060	8.2
191.62772	1.0
209.09723	1.4
237.09192	1.6
255.10133	32.1
272.12781	24.8
532.21753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01380	0.8
52.41327	0.7
53.03951	4.3
53.87152	0.8
69.03435	5.6
71.05000	1.9
81.03442	8.3
83.30659	0.9
85.02905	8.0
97.02902	5.4
99.04465	48.2
107.04967	47.4
108.19501	0.9
109.02898	2.0
123.04418	6.4
127.03932	2.1
128.99745	1.1
132.83893	0.9
143.04942	4.2
145.06534	5.8
149.05981	1.5
152.10594	0.9
161.05983	21.6
164.07108	2.0
237.09093	3.7
255.10143	25.9
272.12778	17.9
370.16483	1.2
388.90570	0.9
532.21838	100.0
558.12695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83442	0.7
53.03951	3.2
56.88487	0.8
60.73128	0.8
69.03432	4.8
71.04986	1.5
81.03413	10.5
85.02903	6.3
97.02895	3.7
99.04451	50.4
107.04954	45.7
109.02869	1.9
111.43164	0.8
121.06502	1.2
123.04420	6.0
127.03955	3.8
143.04965	4.2
145.06496	5.1
149.05983	1.2
161.05972	20.0
161.82643	0.9
164.07085	4.1
177.41220	0.8
186.78986	0.9
207.25317	1.0
209.09631	1.1
237.09158	1.9
239.22075	0.9
243.35667	1.0
255.10101	28.4
256.95673	1.0
272.12753	16.8
311.70410	1.0
466.34641	1.0
479.96207	1.0
532.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
54.50090	0.5
55.01880	0.6
57.03431	0.7
60.52300	0.5
69.03439	5.7
71.04998	0.9
81.03428	9.3
85.02905	8.8
97.02900	4.8
99.04456	55.9
102.34127	0.6
107.04954	52.0
109.02901	2.5
115.05423	1.2
121.06512	2.5
123.04401	8.6
123.05025	0.5
127.03925	3.2
137.06000	0.8
143.04929	5.3
143.18579	0.6
145.05009	0.6
145.05370	0.6
145.06511	8.1
149.05989	2.8
161.05966	24.1
164.07083	3.9
204.28149	0.6
209.09534	0.6
237.09146	4.2
255.10127	29.2
255.12640	1.0
272.12796	15.8
370.16656	0.9
417.13785	0.7
532.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25427	0.6
53.03961	5.0
57.72435	0.6
60.66888	0.5
69.03426	5.2
71.05008	1.4
73.02905	0.9
81.03422	9.4
85.02897	8.6
88.73982	0.6
95.02931	0.7
97.02925	4.5
99.04457	56.6
107.04956	48.4
109.02196	0.6
109.02874	4.1
121.06477	1.5
123.04420	9.1
127.03904	3.5
143.04922	6.1
145.04977	0.9
145.06517	6.7
148.20679	0.7
149.05997	1.0
161.05959	18.9
164.07071	5.5
166.20103	0.6
209.09700	0.7
237.09215	1.3
255.10155	33.0
272.12781	16.2
408.72403	0.6
515.73090	0.7
532.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.1
56.84120	0.6
58.06610	0.7
62.59778	0.7
69.03432	5.7
71.04974	1.3
75.61317	0.8
79.94681	0.6
81.03429	12.7
82.39761	0.7
85.02901	6.3
95.08630	0.8
97.02878	6.3
99.04459	56.1
107.04956	71.2
109.02895	3.3
113.18130	0.7
121.06510	4.0
123.04417	10.7
127.03925	4.1
137.05997	1.2
143.04926	6.5
145.05376	0.9
145.06483	9.9
149.06032	1.6
151.86136	0.8
161.05966	25.7
164.07091	3.2
169.04968	1.0
169.47870	1.0
190.08771	1.0
206.11687	0.8
209.09621	1.3
237.09180	4.2
255.07504	1.6
255.10150	39.1
272.12781	21.5
298.21927	0.7
305.72348	0.8
309.19839	0.9
352.08188	1.4
532.21875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25427	0.6
53.03961	5.0
57.72435	0.6
60.66888	0.5
69.03426	5.2
71.05008	1.4
73.02905	0.9
81.03422	9.4
85.02897	8.6
88.73982	0.6
95.02931	0.7
97.02925	4.5
99.04457	56.6
107.04956	48.4
109.02196	0.6
109.02874	4.1
121.06477	1.5
123.04420	9.1
127.03904	3.5
143.04922	6.1
145.04977	0.9
145.06517	6.7
148.20679	0.7
149.05997	1.0
161.05959	18.9
164.07071	5.5
166.20103	0.6
209.09700	0.7
237.09215	1.3
255.10155	33.0
272.12781	16.2
408.72403	0.6
515.73090	0.7
532.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
149.50310	0.5
187.08476	0.7
202.62502	0.6
221.09186	0.6
233.99878	0.6
242.43845	0.7
292.09512	1.5
294.11185	10.6
306.07526	1.2
308.12796	14.1
319.08185	1.1
320.09137	13.9
320.12753	4.1
321.09909	7.2
322.10712	21.0
323.11414	3.9
334.07074	3.1
334.10739	2.8
335.11377	4.1
336.12289	97.6
337.13068	38.9
337.17224	0.8
338.13477	3.4
349.09155	1.2
350.10306	0.8
352.15430	100.0
434.58505	0.6
470.15103	0.8
514.17981	1.2
532.18646	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32877	0.7
52.45211	0.6
59.50599	0.7
69.66689	0.7
75.19763	0.7
81.31432	0.8
85.02902	1.7
130.60951	0.8
165.09096	1.5
197.99365	0.8
263.09268	1.0
267.10193	1.6
278.08395	0.9
283.02216	0.9
290.07840	1.0
291.08490	1.5
292.09366	3.4
293.10260	1.0
294.11267	15.2
295.09714	1.2
306.07330	0.8
307.08542	1.2
308.09415	1.6
308.12741	14.7
319.08337	5.3
320.08829	12.8
320.12775	5.9
320.16251	1.0
321.09354	9.1
322.10690	22.0
323.11475	5.0
324.12341	4.3
327.10977	1.9
334.10739	8.6
335.11069	10.8
336.12189	59.6
337.13013	38.5
342.13345	50.6
352.11798	6.7
352.15421	100.0
368.91641	0.9
370.12811	42.7
458.12350	4.9
462.83142	1.0
477.26187	0.9
532.18073	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32877	0.7
52.45211	0.6
59.50599	0.7
69.66689	0.7
75.19763	0.7
81.31432	0.8
85.02902	1.7
130.60951	0.8
165.09096	1.5
197.99365	0.8
263.09268	1.0
267.10193	1.6
278.08395	0.9
283.02216	0.9
290.07840	1.0
291.08490	1.5
292.09366	3.4
293.10260	1.0
294.11267	15.2
295.09714	1.2
306.07330	0.8
307.08542	1.2
308.09415	1.6
308.12741	14.7
319.08337	5.3
320.08829	12.8
320.12775	5.9
320.16251	1.0
321.09354	9.1
322.10690	22.0
323.11475	5.0
324.12341	4.3
327.10977	1.9
334.10739	8.6
335.11069	10.8
336.12189	59.6
337.13013	38.5
342.13345	50.6
352.11798	6.7
352.15421	100.0
368.91641	0.9
370.12811	42.7
458.12350	4.9
462.83142	1.0
477.26187	0.9
532.18073	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67237	0.3
59.04369	0.4
68.44560	0.4
92.21448	0.7
97.58486	0.4
122.64679	0.4
147.11641	0.6
229.19547	0.5
239.18105	0.6
253.19510	0.7
271.20453	1.0
278.08109	0.6
289.21631	1.5
291.12592	0.5
294.11237	12.7
299.20129	1.0
302.14398	0.5
307.08191	0.8
307.12012	0.7
308.09610	0.5
308.12772	15.2
317.21097	2.1
320.09131	4.5
320.12796	5.9
321.09741	2.3
322.10699	18.4
323.11581	3.9
324.12259	1.0
334.10809	1.8
335.11426	0.8
335.22049	2.4
336.08881	1.0
336.12256	29.9
337.13034	34.2
338.13141	0.7
340.07779	0.7
346.10962	0.6
351.11401	0.5
352.15408	100.0
353.23248	0.8
355.10498	2.7
370.12839	8.7
398.63605	0.5
532.19104	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44689	0.4
52.75423	0.4
55.90634	0.4
56.88327	0.5
64.14857	0.5
127.03970	0.6
143.08577	0.7
193.13106	0.5
197.52901	0.6
243.21794	0.5
292.09702	2.0
308.12808	15.7
308.34586	0.5
320.09183	3.3
320.12833	3.7
321.09866	6.2
322.10706	7.4
334.10538	0.8
336.08090	0.7
336.12292	38.7
337.13058	28.8
352.15427	100.0
398.14075	3.6
410.12961	0.6
415.49835	0.6
532.19110	5.5
532.21942	5.4
532.32123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38845	0.3
58.51223	0.3
63.32914	0.4
70.00004	0.3
70.87850	0.3
77.32947	0.3
92.21574	0.3
113.19933	0.3
139.87088	0.3
142.62689	0.3
165.91904	0.3
176.07101	4.0
180.38844	0.3
181.39940	0.3
245.92917	0.4
278.08026	0.6
279.08850	0.7
291.12241	0.5
293.63318	0.3
294.11240	16.8
304.09512	0.4
308.12735	11.5
320.09344	0.6
320.12482	2.5
321.09802	0.6
322.10742	25.4
323.11383	1.3
334.10541	0.6
336.12277	20.1
337.13058	32.0
352.15417	100.0
532.19989	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05531	0.4
80.69833	0.4
92.21017	0.5
140.02820	0.4
140.65602	0.4
149.22179	0.4
172.34593	0.4
289.90793	0.4
292.60831	0.4
294.11206	3.2
308.12781	11.9
320.09152	1.4
320.12839	2.6
321.09979	0.6
322.10764	8.1
336.09299	0.5
336.12292	19.7
337.13080	32.7
352.15421	100.0
532.24231	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07497	0.2
54.50481	0.2
56.23442	0.2
87.37458	0.2
114.38868	0.2
136.09200	0.2
230.44470	0.2
278.07944	0.8
279.08975	0.5
293.10202	0.3
294.11246	19.9
306.07736	0.2
307.08475	1.1
307.11957	0.3
308.09497	0.5
308.12784	12.6
319.08386	0.3
320.09177	1.8
320.12799	3.9
321.09949	0.5
322.10727	25.3
323.11450	1.4
324.12314	1.0
334.07199	0.3
334.10510	1.8
335.11160	0.2
336.08182	0.4
336.09320	0.4
336.12271	18.0
337.13071	31.9
338.13489	0.3
352.15424	100.0
380.11325	0.8
413.08627	0.3
415.10376	0.3
458.12357	0.4
486.11801	0.3
502.14655	0.3
504.13168	0.3
516.16260	0.4
517.17023	0.4
532.12305	2.9
532.19995	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19321	0.2
57.29953	0.3
59.03699	0.3
62.98668	0.2
64.07965	0.2
99.62296	0.3
105.07001	0.3
109.00814	0.3
117.98253	0.3
121.06524	0.3
194.28140	0.3
201.23547	0.3
215.10847	0.3
254.50961	0.3
260.87314	0.3
302.15500	0.3
308.12799	15.1
320.09125	3.5
320.12869	3.3
321.09869	1.7
322.10675	6.8
326.56488	0.3
336.08136	0.5
336.12292	22.9
337.13074	29.6
352.15436	100.0
377.16290	0.4
413.17902	0.6
532.19952	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16532	0.4
54.28146	0.4
54.28407	0.4
65.90041	0.4
70.89211	0.4
77.79940	0.4
93.07025	0.7
96.77036	0.5
99.04465	0.5
105.07025	0.8
130.47215	0.5
147.50423	0.5
159.19026	0.5
178.59470	0.5
187.11176	0.8
203.76845	0.5
292.09717	2.6
294.11108	0.8
308.12836	13.5
320.09131	2.8
320.12857	2.9
321.09940	7.8
322.10736	7.3
323.11420	0.7
334.10498	0.7
336.12305	45.2
337.13052	34.2
338.13770	0.7
352.15433	100.0
355.36554	0.6
395.16879	0.8
402.13409	0.8
483.32214	0.5
532.22845	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29226	0.7
54.32264	0.7
58.66993	0.6
66.17982	0.8
69.03421	0.7
70.47564	0.7
72.62656	0.8
81.07055	2.1
83.04990	4.0
85.02905	1.3
91.05450	1.0
93.07044	1.5
95.04965	1.5
97.02857	1.1
97.06532	1.9
99.04476	3.3
105.07034	3.7
107.08575	1.1
109.06538	1.6
119.08611	1.0
121.06505	1.4
121.10097	0.9
125.05991	8.2
127.03915	1.1
127.07553	1.6
135.11722	1.2
137.05994	1.5
137.46761	0.7
139.03270	0.8
143.07013	4.5
145.04977	0.9
145.10109	9.3
145.78094	0.8
151.07498	1.8
159.11708	4.3
163.11172	3.8
173.09634	5.9
175.11107	0.9
181.17468	0.8
187.11163	11.3
191.10622	6.6
197.09735	1.0
205.12294	7.1
215.10793	6.1
233.11732	4.7
251.12762	3.5
269.13901	1.0
292.09555	1.5
294.11157	1.7
308.12805	15.1
320.09143	9.7
320.12756	2.8
321.09906	5.0
322.10751	8.7
324.12396	1.6
336.12271	43.8
337.09488	1.6
337.13055	34.9
352.15424	100.0
377.15747	3.4
379.94995	0.9
395.17044	11.5
413.18115	17.0
515.40369	1.4
524.45941	0.9
532.18488	10.4
532.42865	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20192	4.3
55.05502	24.3
57.03426	7.8
57.07088	6.0
59.21594	5.7
67.05492	78.0
69.03408	12.4
69.07056	14.2
71.04996	5.9
76.54107	5.9
79.05488	55.9
81.03398	6.6
81.07051	75.3
83.04945	6.3
85.02894	53.3
86.99397	6.4
91.05442	29.3
93.07021	96.7
94.50642	5.2
95.08601	79.9
97.02878	23.3
97.10133	6.2
102.92704	5.5
105.07000	29.5
107.08568	58.7
109.10124	45.4
117.06935	9.1
119.08566	33.2
121.10103	69.1
123.11717	10.4
127.03895	23.6
129.06921	7.8
131.08556	13.6
133.10112	47.0
135.11664	48.6
143.08435	6.9
145.04912	9.4
145.10089	38.6
147.11655	36.3
149.13234	14.0
157.10048	9.7
159.11636	27.8
161.13231	7.6
163.14738	8.7
173.13203	11.5
185.13197	9.9
187.14690	7.8
222.49287	6.0
259.20465	21.9
261.22144	24.4
277.21649	6.6
295.15155	5.8
320.09232	7.0
327.23154	7.9
345.24170	27.2
369.24057	30.3
387.25168	26.6
405.26187	30.0
423.27328	100.0
532.37885	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62339	3.8
55.05523	5.7
57.46357	4.5
63.79345	3.9
67.05507	65.4
69.07073	6.7
79.05495	30.9
81.07071	68.2
83.08601	7.5
85.02914	11.5
88.48711	4.1
90.73855	4.2
91.05466	21.2
93.07049	56.3
95.08606	64.4
97.02885	5.7
97.06516	6.6
105.07061	19.3
107.08619	41.9
109.10157	52.0
117.07006	4.9
119.08594	26.4
121.06506	81.1
121.10185	46.0
123.11707	25.2
125.73228	4.4
131.08565	22.6
133.10133	24.3
135.11748	38.5
145.10133	24.0
147.11653	11.3
147.77437	5.3
148.77148	5.3
149.13269	29.3
159.11687	20.0
161.13284	9.4
163.14807	11.4
173.01520	4.7
173.13341	7.9
178.72797	4.4
219.30959	4.4
243.21045	37.1
261.22107	86.1
335.25790	30.3
353.26807	100.0
404.11334	17.6
497.31052	5.7
514.31531	35.3
532.32813	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25101	3.1
55.05514	7.0
57.03428	3.6
57.07091	5.5
59.31314	3.0
59.34343	2.9
66.82359	3.3
67.05511	62.4
69.07076	16.9
73.55292	3.0
79.05518	35.5
81.07067	80.2
83.08623	8.1
85.02888	4.1
91.05478	8.7
93.07041	56.3
95.08612	67.5
99.94041	3.8
105.07049	13.8
107.08611	60.6
109.10136	41.0
116.41788	3.2
117.07007	6.5
119.08597	17.2
121.10136	60.2
122.05948	4.9
123.11717	22.7
131.08586	23.3
133.10147	14.6
135.11694	39.0
137.13245	3.7
145.10132	25.7
147.11685	20.7
149.13237	27.8
151.11133	3.2
159.11713	19.4
160.91678	3.5
161.13272	8.6
163.14818	17.7
173.13249	25.7
187.14833	13.5
243.21085	38.8
261.22122	91.7
313.27597	5.1
320.09280	5.4
335.25787	18.1
353.26880	100.0
412.90433	3.7
514.33746	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.1
55.05521	3.1
56.56762	1.5
57.03440	2.1
57.07084	2.4
63.23181	1.3
67.05514	7.2
69.03430	5.6
69.07070	9.9
71.04994	2.2
73.02915	14.2
79.05465	1.4
81.03435	13.4
81.07065	11.9
82.61501	1.3
83.04956	1.4
83.08622	6.2
83.77917	1.4
85.02901	8.1
93.07048	5.6
95.08598	11.0
97.02893	13.5
97.10176	3.8
99.04453	100.0
107.08639	2.0
108.04514	1.8
109.02901	3.6
109.10153	1.8
109.73888	1.5
119.08570	1.9
121.10121	8.5
123.11733	2.4
124.57021	1.4
127.03883	3.4
135.11708	2.9
147.46471	1.6
149.13283	1.7
170.75238	1.5
210.50963	1.5
237.22052	3.7
243.08577	14.9
265.14520	1.7
317.24725	2.5
320.09149	3.7
336.12311	2.4
345.24210	8.2
363.25238	7.3
374.74432	1.6
381.26273	3.6
443.27655	3.6
461.29016	21.7
479.30096	17.5
497.31201	1.7
532.26392	2.9
532.39020	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
54.31740	0.9
55.05521	4.2
57.07078	2.1
58.02037	0.8
61.64481	0.9
67.05518	6.9
69.03433	2.3
69.07077	8.8
69.88799	0.8
71.04997	1.8
71.08631	1.3
73.02919	16.0
73.18330	0.8
75.74701	1.0
79.05493	1.2
81.03411	14.6
81.07051	12.8
83.08645	8.4
85.02917	10.2
85.06533	1.3
87.04478	1.5
93.07044	4.9
93.14646	0.9
95.04958	1.3
95.08593	11.5
97.02892	12.3
97.06533	1.2
97.10152	5.0
99.04456	100.0
101.05958	1.0
107.08590	4.7
109.02869	4.4
109.10147	4.1
111.04469	1.0
119.08575	1.2
121.10168	7.0
123.11730	1.9
127.03915	10.9
132.43719	1.0
133.10109	1.1
135.11699	5.1
137.13309	1.1
140.43427	0.9
141.05476	4.6
145.04961	1.7
147.11789	1.0
149.13216	1.1
215.12677	2.0
221.68936	1.0
225.07684	1.3
234.67209	0.9
237.22102	4.3
243.08635	14.1
250.78925	1.2
291.23154	1.2
303.23215	1.2
317.28680	1.2
320.09326	1.2
327.23032	1.7
336.12299	2.0
345.24356	9.7
363.25269	11.3
381.26370	5.8
439.07120	1.1
443.27795	5.3
457.21133	1.1
461.28952	20.3
479.30026	15.9
494.25711	1.1
497.30954	3.9
526.56317	1.1
532.41278	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.04142	0.2
53.53930	0.2
62.30436	0.2
67.50266	0.2
90.49829	0.2
95.08561	0.2
99.04424	1.3
107.08575	0.3
113.75679	0.2
133.10095	0.2
145.10101	0.2
175.85132	0.2
176.98036	0.2
193.61621	0.2
219.70807	0.2
220.17752	0.2
242.26633	0.2
270.05276	1.9
285.07553	100.0
292.09546	0.3
294.11063	0.4
295.11627	1.2
305.86801	0.2
319.08261	0.3
320.09012	0.4
321.09866	1.2
322.10596	0.8
323.11163	0.3
334.10742	0.2
336.12250	4.3
337.12613	1.0
447.12686	2.3
515.12158	0.2
533.12793	11.4
533.20490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41225	0.3
79.45932	0.3
81.92058	0.3
83.01329	0.5
83.84468	0.3
85.02916	0.6
96.35680	0.3
102.67576	0.3
103.05462	0.7
113.77197	0.4
130.30263	0.4
131.04933	19.1
133.43512	0.4
173.06081	0.4
175.62766	0.3
179.06995	0.6
181.04945	38.2
199.05988	5.1
266.08264	0.5
267.08386	0.8
285.11203	100.0
294.07584	1.6
295.07953	2.8
320.09131	10.1
321.09521	16.5
323.07709	0.5
335.07614	0.4
421.72562	0.4
517.10455	0.5
533.15967	3.8
533.23541	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00362	0.4
69.03429	0.9
76.54704	0.5
81.03080	0.4
81.03419	6.1
85.02892	3.3
87.74989	0.5
89.93262	0.5
91.05476	6.3
95.47323	0.5
97.02856	0.6
109.02872	2.2
119.04937	19.8
127.03874	0.6
137.05998	0.9
147.04408	26.5
152.52071	0.6
157.03947	2.3
167.06998	0.7
175.03891	73.2
179.03413	0.5
179.07021	1.9
201.05402	0.7
207.06514	100.0
311.08987	0.5
325.77216	0.6
336.12030	0.7
351.10730	4.3
353.10294	1.9
369.11713	6.5
377.85379	0.5
529.12646	0.6
533.18323	2.4
535.43390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.7
69.03428	24.1
69.07056	3.0
71.04982	4.1
73.02896	3.2
81.03410	15.3
85.02908	84.9
87.04471	3.5
91.03937	2.9
93.06978	2.4
95.08582	3.2
97.02892	33.8
97.97759	2.7
99.04440	11.9
105.07043	2.6
107.04935	2.8
107.08585	4.6
109.02886	13.1
109.06511	3.9
121.06461	3.8
121.10110	3.2
123.08064	21.4
127.03909	29.4
133.10143	3.0
135.08038	28.1
145.04942	15.1
147.11714	2.9
165.12749	17.8
166.96069	2.4
191.14311	96.1
193.15813	3.5
209.15492	8.9
241.20744	2.8
266.42197	2.8
292.09848	3.3
293.10025	5.4
294.10809	12.6
295.11667	7.9
308.08176	3.1
320.09180	5.3
321.09631	18.4
322.10202	26.0
323.10739	32.0
324.10904	13.3
336.12289	33.9
337.12701	58.7
338.12860	58.3
339.13190	52.6
352.11685	12.2
353.12161	38.3
353.15857	4.9
354.16013	6.2
355.54898	2.5
371.20874	4.2
423.58337	2.8
437.53986	2.7
533.19244	24.8
533.26324	100.0
545.39801	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04097	1.5
56.05043	2.8
58.06594	1.7
67.05501	3.1
73.73339	1.3
81.03407	1.8
81.07069	2.2
85.06536	2.7
86.09706	21.7
91.05497	1.7
93.07025	2.4
94.88261	1.6
95.04983	5.3
98.09702	33.3
99.04454	2.6
100.03981	39.9
100.11269	2.7
104.04989	2.7
105.03397	64.8
107.08587	1.8
116.10730	100.0
121.06510	1.7
126.05523	7.8
126.09157	45.8
128.10719	2.3
131.08662	1.6
132.10187	5.9
143.08167	12.4
144.08087	13.1
144.10196	8.9
154.08646	15.0
155.11784	8.7
157.13379	1.9
160.07587	28.2
170.11841	3.1
170.20952	1.6
172.09671	7.8
178.08633	8.0
180.13820	1.7
197.12878	2.2
201.12392	1.9
203.12222	1.9
203.13908	11.1
206.08124	10.7
211.17940	11.7
213.10175	2.0
215.13924	18.5
222.84599	1.7
226.14383	2.0
229.19049	1.7
231.11281	44.0
257.18588	7.6
259.10846	2.9
275.19775	6.2
277.11874	7.4
285.17996	2.0
306.07571	1.9
310.21573	1.7
320.09042	1.6
321.09802	2.7
334.10672	2.5
336.12231	3.0
348.15527	3.0
390.20111	3.3
402.20151	7.1
438.82370	1.9
444.24893	3.0
461.24005	14.6
462.26059	13.3
472.24567	7.2
505.30157	3.0
515.28644	79.7
533.16339	6.9
533.23035	3.1
533.29840	57.4
533.36780	4.0
533.67053	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	0.9
67.05511	1.3
69.07072	2.2
76.55285	1.0
81.07050	4.2
93.07067	1.9
95.08634	1.7
107.08582	2.3
111.41936	1.0
128.28410	1.0
157.33368	1.0
174.03029	0.9
181.58755	1.0
236.12601	9.0
238.14114	6.3
245.51782	0.9
254.13571	1.1
259.48383	1.0
262.22516	1.1
318.24005	24.4
320.25302	3.5
321.09659	1.4
354.27225	1.5
533.39185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59045	0.6
51.45346	0.6
84.53504	0.7
95.35835	0.8
99.04480	0.8
145.06142	0.8
162.05482	5.1
165.05475	7.3
189.21762	0.7
209.13882	0.8
229.62114	0.8
255.51863	0.8
282.10931	1.0
295.08405	4.6
296.05527	1.7
311.08057	1.3
324.05301	1.5
326.10217	6.8
339.07306	8.3
354.09717	100.0
372.10773	63.3
534.15881	7.2
534.22699	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28307	0.3
58.54892	0.2
62.30996	0.2
85.02968	0.4
95.22398	0.2
112.64853	0.2
119.68094	0.3
137.06039	0.4
138.37270	0.2
147.04474	0.5
162.05475	4.3
165.05461	6.0
190.08646	0.5
193.05096	0.4
209.04434	0.3
232.23270	0.3
233.93425	0.3
246.61891	0.3
251.09430	0.3
252.10307	0.3
265.07422	0.3
266.08249	0.4
280.07153	0.4
282.11282	1.8
294.07690	0.3
295.08389	3.0
296.06015	0.6
308.09253	0.4
310.07056	1.9
311.07886	1.6
313.09741	0.4
321.06168	0.5
323.07974	0.4
324.04938	1.7
325.09317	0.4
326.10217	7.4
334.18155	0.3
336.08575	1.6
338.06671	0.5
339.07327	8.5
339.11304	0.4
354.09698	100.0
372.10721	32.1
522.19891	0.3
534.15833	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13305	0.5
54.53742	0.6
58.06607	1.0
69.03450	0.8
70.06591	1.1
70.90224	0.6
71.69679	0.7
81.03403	2.8
85.02904	3.1
86.44988	0.7
86.88386	0.6
99.04444	0.9
100.96807	0.6
101.44491	0.6
104.45988	0.6
109.02878	1.1
119.04945	5.2
121.06574	0.7
137.05995	10.4
145.02887	2.4
147.04411	4.2
149.05997	1.6
161.06007	0.7
162.05478	1.6
164.07021	1.4
165.05385	5.3
166.07266	5.0
166.08633	13.6
175.03899	21.3
177.05460	5.4
178.08629	1.6
193.05042	1.3
196.09714	3.5
207.04625	1.1
207.06537	27.0
208.06033	3.5
244.06502	0.7
311.07886	0.8
324.05072	4.7
326.06561	1.6
326.10135	14.3
339.07339	23.0
344.11172	3.1
354.09677	34.1
357.08505	1.2
372.10751	100.0
421.07532	0.7
534.19043	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69169	0.7
66.18537	0.6
98.06033	0.9
104.60019	0.7
121.06512	3.5
126.57033	0.8
136.68414	0.9
224.58147	0.9
250.08675	3.1
252.03032	0.8
278.04535	1.2
278.08102	4.7
279.08920	4.8
280.09692	4.4
293.06802	12.9
294.07568	3.6
295.08441	9.4
306.03973	10.6
307.08374	3.3
309.09921	3.1
310.10666	7.2
314.92780	0.8
321.06290	45.9
323.07895	1.7
324.04929	1.4
336.08649	100.0
339.07309	2.8
354.09705	49.6
372.10770	50.1
469.24463	0.9
500.28568	1.1
534.15784	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26802	0.5
61.93378	0.5
69.03456	0.7
69.22495	0.5
70.06593	0.8
70.11790	0.5
84.08105	0.7
85.02903	0.8
96.81706	0.5
100.36738	0.6
126.37796	0.6
134.06070	0.6
137.05974	0.9
147.04478	0.5
149.06056	0.7
162.05507	5.8
165.05489	9.0
175.03860	0.7
188.07089	2.5
190.08652	1.0
193.04898	0.7
206.08058	0.8
282.07959	0.6
282.11258	1.2
294.07748	0.9
295.08319	2.9
296.05936	1.0
308.08890	0.6
310.07132	2.5
321.06296	0.9
324.04999	0.9
326.10193	7.7
336.08743	0.8
339.07349	9.5
354.09714	100.0
372.10733	61.3
372.14230	3.2
405.12109	0.6
492.91565	0.6
534.16302	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44827	0.5
71.10044	0.5
73.61032	0.5
115.31789	0.7
147.04388	1.0
147.74454	0.7
162.05528	4.7
165.05479	7.9
282.11420	0.7
295.08362	2.8
296.05783	0.7
302.76443	0.7
308.08984	0.8
310.07077	1.1
311.07910	0.8
324.04971	1.0
326.10324	6.0
336.08823	1.3
339.07391	9.6
354.09711	100.0
364.50793	0.7
372.10770	59.2
372.18204	3.7
429.18161	0.9
455.20151	0.7
513.84503	0.7
534.15826	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44827	0.5
71.10044	0.5
73.61032	0.5
115.31789	0.7
147.04388	1.0
147.74454	0.7
162.05528	4.7
165.05479	7.9
282.11420	0.7
295.08362	2.8
296.05783	0.7
302.76443	0.7
308.08984	0.8
310.07077	1.1
311.07910	0.8
324.04971	1.0
326.10324	6.0
336.08823	1.3
339.07391	9.6
354.09711	100.0
364.50793	0.7
372.10770	59.2
372.18204	3.7
429.18161	0.9
455.20151	0.7
513.84503	0.7
534.15826	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06633	0.9
62.80861	0.2
67.13136	0.2
68.64251	0.2
69.03033	0.2
69.03470	0.9
70.06639	0.4
70.89268	0.2
73.15981	0.2
81.03473	0.3
81.73111	0.2
84.04562	0.5
85.02956	1.3
95.04974	0.2
97.02933	0.4
104.07185	0.3
107.04956	5.7
109.02914	0.3
111.04456	0.4
116.07168	1.2
117.68937	0.2
117.69736	0.2
119.04931	0.2
121.06569	1.1
127.03985	1.0
134.06062	0.3
137.05965	1.7
143.04951	0.4
145.06526	0.3
147.04472	1.3
148.07579	0.3
151.07578	0.3
162.05495	5.8
162.06619	0.3
163.06310	0.3
164.07123	1.3
165.05472	6.3
175.03989	0.4
175.07538	2.1
178.08698	0.5
190.08766	0.5
192.10231	0.4
194.13007	0.2
201.97395	0.2
208.06247	0.3
209.09683	0.4
231.00772	0.3
236.09218	0.6
237.09195	1.1
241.82799	0.2
251.09442	0.3
266.08249	0.4
267.09061	0.4
269.11859	1.8
274.10840	0.6
282.07748	1.0
282.11276	1.8
283.08691	0.3
290.53165	0.2
293.06931	0.3
295.08331	2.8
296.06302	0.5
298.14389	1.2
300.16003	0.4
308.09140	0.5
309.10995	0.4
310.07050	3.1
311.07831	1.7
322.07254	0.5
324.05118	1.7
324.08496	0.3
326.10245	8.7
336.08786	1.5
338.06714	0.5
339.07388	10.3
339.11328	0.4
340.08206	1.2
342.09479	0.3
354.09738	100.0
372.10779	55.2
372.18399	1.2
511.64233	0.3
534.15955	13.4
534.23077	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50491	0.8
60.54840	0.7
78.54186	0.7
83.69878	0.9
91.05479	1.8
107.04953	1.6
119.04941	4.1
123.04447	1.2
131.05013	1.0
135.04439	6.5
137.05991	6.5
139.13457	0.9
147.04393	1.6
148.05125	1.0
149.05968	20.3
150.06720	3.0
161.05971	3.2
162.06737	6.2
163.03848	1.8
167.06892	0.9
177.05484	1.2
177.07855	7.4
188.07008	5.9
190.08669	9.3
204.06703	1.5
206.08105	18.3
239.64290	0.8
265.04877	1.0
267.06601	1.3
267.12039	0.8
277.04959	1.3
279.06540	1.2
280.09573	1.0
283.05737	1.0
290.08044	1.8
292.09592	1.1
295.05963	1.9
302.08203	1.1
304.05896	4.6
308.09164	3.5
318.07544	4.8
319.08444	13.0
320.09106	4.3
323.05377	1.2
324.11539	1.1
326.10196	4.4
334.10715	31.4
335.11069	1.3
336.12167	3.8
337.12698	5.7
338.13080	6.3
354.09595	4.5
488.16293	0.9
534.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50491	0.8
60.54840	0.7
78.54186	0.7
83.69878	0.9
91.05479	1.8
107.04953	1.6
119.04941	4.1
123.04447	1.2
131.05013	1.0
135.04439	6.5
137.05991	6.5
139.13457	0.9
147.04393	1.6
148.05125	1.0
149.05968	20.3
150.06720	3.0
161.05971	3.2
162.06737	6.2
163.03848	1.8
167.06892	0.9
177.05484	1.2
177.07855	7.4
188.07008	5.9
190.08669	9.3
204.06703	1.5
206.08105	18.3
239.64290	0.8
265.04877	1.0
267.06601	1.3
267.12039	0.8
277.04959	1.3
279.06540	1.2
280.09573	1.0
283.05737	1.0
290.08044	1.8
292.09592	1.1
295.05963	1.9
302.08203	1.1
304.05896	4.6
308.09164	3.5
318.07544	4.8
319.08444	13.0
320.09106	4.3
323.05377	1.2
324.11539	1.1
326.10196	4.4
334.10715	31.4
335.11069	1.3
336.12167	3.8
337.12698	5.7
338.13080	6.3
354.09595	4.5
488.16293	0.9
534.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03293	0.9
55.05507	6.4
57.17348	1.2
65.03956	2.2
67.05502	5.4
69.03432	21.7
71.04984	1.5
76.72558	1.2
78.97409	1.2
81.03430	16.2
83.04990	54.8
85.02911	15.8
91.81504	1.4
92.21532	1.6
93.03396	16.0
97.02316	2.0
97.02886	22.5
99.04448	5.4
107.04961	7.0
109.02886	18.2
111.04436	44.6
121.02868	15.3
121.06507	1.8
127.03923	18.4
139.03905	100.0
145.04959	4.7
145.40274	1.4
151.07558	4.8
157.04974	20.4
165.05496	2.9
178.08600	2.2
179.09349	1.7
181.04961	2.3
183.06575	1.5
188.07115	9.1
190.08640	10.1
206.08189	5.7
206.11749	11.7
212.13029	1.4
255.08575	13.1
265.07050	2.6
283.07968	15.5
289.07077	1.6
291.06406	1.9
301.09213	40.5
319.10266	36.9
324.22971	1.5
336.12057	1.4
354.09665	3.6
354.13293	12.8
372.10178	4.0
372.14340	32.9
372.18301	2.7
444.85687	1.6
488.13589	1.5
534.19617	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03293	0.9
55.05507	6.4
57.17348	1.2
65.03956	2.2
67.05502	5.4
69.03432	21.7
71.04984	1.5
76.72558	1.2
78.97409	1.2
81.03430	16.2
83.04990	54.8
85.02911	15.8
91.81504	1.4
92.21532	1.6
93.03396	16.0
97.02316	2.0
97.02886	22.5
99.04448	5.4
107.04961	7.0
109.02886	18.2
111.04436	44.6
121.02868	15.3
121.06507	1.8
127.03923	18.4
139.03905	100.0
145.04959	4.7
145.40274	1.4
151.07558	4.8
157.04974	20.4
165.05496	2.9
178.08600	2.2
179.09349	1.7
181.04961	2.3
183.06575	1.5
188.07115	9.1
190.08640	10.1
206.08189	5.7
206.11749	11.7
212.13029	1.4
255.08575	13.1
265.07050	2.6
283.07968	15.5
289.07077	1.6
291.06406	1.9
301.09213	40.5
319.10266	36.9
324.22971	1.5
336.12057	1.4
354.09665	3.6
354.13293	12.8
372.10178	4.0
372.14340	32.9
372.18301	2.7
444.85687	1.6
488.13589	1.5
534.19617	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.4
55.05515	7.4
58.06605	2.3
60.80498	1.0
65.03949	1.8
66.86670	1.1
67.05500	5.6
69.03438	17.8
69.17030	1.1
71.05009	1.1
76.44382	1.5
81.03439	15.7
83.04990	59.4
85.02920	17.1
93.03409	13.6
95.04980	1.2
97.02895	29.4
99.04455	6.1
109.02880	16.8
111.04453	46.2
121.02888	20.5
127.03936	21.6
139.03912	100.0
145.04974	8.3
152.34492	1.1
157.04974	25.1
164.06992	2.0
177.05508	1.5
179.15927	1.1
255.08722	12.0
265.07117	2.7
283.08167	13.4
301.09225	37.8
319.10321	36.8
319.70856	1.3
481.13074	1.6
534.18640	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33907	0.6
58.06595	1.5
58.46118	0.6
62.82235	0.6
66.70418	0.7
77.46155	0.6
81.03416	6.6
85.02894	3.8
88.68024	0.7
91.05479	4.1
109.02894	4.3
117.03396	1.0
118.45598	0.7
119.04947	17.5
121.06513	1.4
137.05983	10.3
145.02849	19.7
147.04414	20.9
149.05984	7.2
151.07558	4.1
157.04109	0.9
160.07626	0.8
161.05994	4.7
164.07037	6.5
166.08623	55.5
175.03899	72.7
176.07005	0.8
177.05464	41.8
178.08611	14.2
178.09961	1.1
179.07042	5.6
190.08673	1.0
196.09668	17.6
201.55005	0.9
207.06514	100.0
232.88585	0.9
274.10745	1.0
324.75168	0.8
326.06830	1.0
351.10779	3.4
369.11774	6.3
372.14337	0.8
514.72229	0.8
534.19678	85.9
534.54541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.5
63.84736	0.9
69.03439	1.4
70.08520	1.0
75.72222	1.1
78.54724	1.0
80.58095	0.9
81.03431	5.2
85.02919	1.4
91.05495	4.4
97.02917	1.3
109.02908	5.4
112.38393	1.1
119.04945	13.9
121.06535	4.8
122.25722	1.0
127.03905	1.6
137.05986	13.2
145.02910	5.3
147.04417	19.7
148.07603	2.6
149.05989	8.0
151.07559	1.2
160.07607	2.1
162.05508	1.4
164.07111	6.6
166.07283	12.7
166.08592	57.5
167.81337	1.1
175.03900	77.1
176.07130	2.3
177.05479	16.9
177.06610	1.0
178.08679	6.2
179.07100	1.1
196.09787	6.4
207.06520	100.0
208.06227	1.5
208.09840	1.6
310.06824	1.3
322.10785	1.4
326.06866	2.1
326.10486	6.1
336.97992	1.0
339.07208	10.6
351.10840	2.5
354.09665	19.7
357.08356	1.6
369.12006	4.6
372.10718	43.4
516.18884	1.2
534.19836	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	8.4
60.70161	0.7
65.03969	0.9
69.03422	1.4
70.06588	0.9
72.39449	1.0
81.03439	6.4
85.02905	4.6
89.37143	0.9
91.05481	3.7
97.02890	1.3
99.04434	1.5
107.04961	10.0
109.02876	5.7
113.34037	0.9
119.04957	13.1
121.06522	3.7
123.04464	1.0
130.32410	0.9
131.04922	1.4
133.06461	1.2
137.05975	8.5
143.04915	3.8
145.02899	11.4
145.06494	1.5
146.81825	0.8
147.04413	22.3
148.07596	1.3
149.06000	7.3
151.07617	1.8
156.50322	1.0
157.03983	1.4
161.05969	5.2
164.07030	7.3
166.08636	58.4
166.10051	1.9
175.03903	79.4
177.05453	24.5
178.08650	10.7
179.07050	3.5
179.61908	0.9
190.08580	1.6
196.09700	13.1
200.76189	0.8
207.06525	100.0
208.09683	1.1
255.10135	5.6
286.14307	14.3
351.10803	1.6
369.11887	3.9
433.92276	1.0
534.19623	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.9
69.03438	6.0
71.12895	0.8
73.02942	0.9
80.77611	0.6
81.03423	2.8
85.02898	7.3
87.04504	0.9
97.02872	3.3
99.04441	1.1
100.92439	0.8
107.04959	10.5
109.02895	1.2
115.32444	0.9
127.03912	1.9
137.05983	6.8
145.04977	0.9
149.05949	6.2
165.05469	17.3
167.07060	1.4
175.07533	1.4
176.07059	1.1
177.07846	0.7
178.08612	1.3
183.06561	5.7
188.07065	22.5
189.07756	5.8
190.08614	14.3
193.05028	1.7
202.08647	1.2
206.08113	13.8
206.11829	1.3
237.09157	1.0
263.07056	1.5
269.11740	5.3
283.09610	0.9
286.14401	3.0
291.06589	6.6
311.09055	1.2
311.84732	0.9
323.09100	1.1
323.87631	0.8
324.12604	0.8
336.08716	1.4
339.10883	1.8
341.10184	0.9
354.13300	7.4
365.51230	0.9
372.09964	1.7
372.14413	41.7
372.18903	1.8
534.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	0.9
55.05499	0.9
56.61971	0.9
57.03419	0.9
58.06629	1.1
60.51376	0.8
61.02931	1.2
65.03928	1.0
69.03426	9.0
70.06583	1.1
73.02895	1.5
81.03426	6.1
83.04982	15.6
85.02926	8.7
87.04421	1.2
93.03404	4.1
97.02888	6.8
99.04439	1.7
106.77489	0.9
107.04956	3.9
109.02873	4.5
111.04475	9.1
121.02896	4.0
127.03909	5.8
135.04373	1.2
137.05978	4.3
139.03903	26.8
139.04915	1.4
149.05952	8.0
154.31862	1.1
157.04950	6.5
165.05457	14.7
177.07976	1.8
181.04901	2.2
183.06537	6.1
188.07051	18.6
189.07843	3.8
190.08620	14.5
193.05020	1.4
206.08121	12.7
206.11879	1.1
255.08359	1.2
263.07040	1.4
283.09271	1.0
291.06653	7.1
301.09149	12.5
304.21173	1.0
319.10312	8.7
321.09891	1.9
323.09171	1.8
336.12347	1.2
339.11206	2.3
354.09845	1.1
354.13403	10.4
357.12546	1.2
372.09781	1.6
372.14426	48.3
372.18130	1.8
384.74677	1.1
507.48215	1.1
509.10248	1.3
534.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	0.9
55.05499	0.9
56.61971	0.9
57.03419	0.9
58.06629	1.1
60.51376	0.8
61.02931	1.2
65.03928	1.0
69.03426	9.0
70.06583	1.1
73.02895	1.5
81.03426	6.1
83.04982	15.6
85.02926	8.7
87.04421	1.2
93.03404	4.1
97.02888	6.8
99.04439	1.7
106.77489	0.9
107.04956	3.9
109.02873	4.5
111.04475	9.1
121.02896	4.0
127.03909	5.8
135.04373	1.2
137.05978	4.3
139.03903	26.8
139.04915	1.4
149.05952	8.0
154.31862	1.1
157.04950	6.5
165.05457	14.7
177.07976	1.8
181.04901	2.2
183.06537	6.1
188.07051	18.6
189.07843	3.8
190.08620	14.5
193.05020	1.4
206.08121	12.7
206.11879	1.1
255.08359	1.2
263.07040	1.4
283.09271	1.0
291.06653	7.1
301.09149	12.5
304.21173	1.0
319.10312	8.7
321.09891	1.9
323.09171	1.8
336.12347	1.2
339.11206	2.3
354.09845	1.1
354.13403	10.4
357.12546	1.2
372.09781	1.6
372.14426	48.3
372.18130	1.8
384.74677	1.1
507.48215	1.1
509.10248	1.3
534.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.9
69.03438	6.0
71.12895	0.8
73.02942	0.9
80.77611	0.6
81.03423	2.8
85.02898	7.3
87.04504	0.9
97.02872	3.3
99.04441	1.1
100.92439	0.8
107.04959	10.5
109.02895	1.2
115.32444	0.9
127.03912	1.9
137.05983	6.8
145.04977	0.9
149.05949	6.2
165.05469	17.3
167.07060	1.4
175.07533	1.4
176.07059	1.1
177.07846	0.7
178.08612	1.3
183.06561	5.7
188.07065	22.5
189.07756	5.8
190.08614	14.3
193.05028	1.7
202.08647	1.2
206.08113	13.8
206.11829	1.3
237.09157	1.0
263.07056	1.5
269.11740	5.3
283.09610	0.9
286.14401	3.0
291.06589	6.6
311.09055	1.2
311.84732	0.9
323.09100	1.1
323.87631	0.8
324.12604	0.8
336.08716	1.4
339.10883	1.8
341.10184	0.9
354.13300	7.4
365.51230	0.9
372.09964	1.7
372.14413	41.7
372.18903	1.8
534.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73197	1.0
54.22913	0.9
58.06613	2.3
65.97455	0.9
69.03432	1.8
70.58595	1.1
81.03427	6.5
85.02912	5.8
88.51546	1.2
91.05513	1.6
92.29202	1.1
97.02914	1.3
99.04443	1.7
107.04961	34.6
109.02927	2.0
119.04914	13.8
120.08027	1.2
121.06506	4.6
123.04456	4.7
127.03905	2.6
137.05998	11.0
143.04944	7.1
145.06523	2.0
147.04417	19.3
149.05994	5.5
151.07581	6.2
161.06017	8.5
164.07089	7.1
165.09114	5.7
166.08630	50.9
166.10048	1.8
175.03896	67.0
177.05528	2.8
178.08566	10.9
179.07100	1.6
180.10127	2.0
181.08534	4.4
190.08626	48.9
191.06996	2.7
191.09456	11.3
192.10193	5.9
196.09732	1.1
207.06519	80.9
208.09717	14.1
255.10150	21.3
257.11835	1.4
286.14365	66.9
291.10086	1.9
292.10904	8.6
307.11545	1.5
313.14056	1.8
322.14270	1.3
323.12582	2.6
338.13739	1.8
339.14517	2.0
351.10870	1.5
354.09937	1.5
354.17041	12.1
369.11899	2.2
372.14471	1.1
372.18066	26.2
414.42896	1.3
472.19589	2.3
534.19867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.5
63.84736	0.9
69.03439	1.4
70.08520	1.0
75.72222	1.1
78.54724	1.0
80.58095	0.9
81.03431	5.2
85.02919	1.4
91.05495	4.4
97.02917	1.3
109.02908	5.4
112.38393	1.1
119.04945	13.9
121.06535	4.8
122.25722	1.0
127.03905	1.6
137.05986	13.2
145.02910	5.3
147.04417	19.7
148.07603	2.6
149.05989	8.0
151.07559	1.2
160.07607	2.1
162.05508	1.4
164.07111	6.6
166.07283	12.7
166.08592	57.5
167.81337	1.1
175.03900	77.1
176.07130	2.3
177.05479	16.9
177.06610	1.0
178.08679	6.2
179.07100	1.1
196.09787	6.4
207.06520	100.0
208.06227	1.5
208.09840	1.6
310.06824	1.3
322.10785	1.4
326.06866	2.1
326.10486	6.1
336.97992	1.0
339.07208	10.6
351.10840	2.5
354.09665	19.7
357.08356	1.6
369.12006	4.6
372.10718	43.4
516.18884	1.2
534.19836	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.5
63.84736	0.9
69.03439	1.4
70.08520	1.0
75.72222	1.1
78.54724	1.0
80.58095	0.9
81.03431	5.2
85.02919	1.4
91.05495	4.4
97.02917	1.3
109.02908	5.4
112.38393	1.1
119.04945	13.9
121.06535	4.8
122.25722	1.0
127.03905	1.6
137.05986	13.2
145.02910	5.3
147.04417	19.7
148.07603	2.6
149.05989	8.0
151.07559	1.2
160.07607	2.1
162.05508	1.4
164.07111	6.6
166.07283	12.7
166.08592	57.5
167.81337	1.1
175.03900	77.1
176.07130	2.3
177.05479	16.9
177.06610	1.0
178.08679	6.2
179.07100	1.1
196.09787	6.4
207.06520	100.0
208.06227	1.5
208.09840	1.6
310.06824	1.3
322.10785	1.4
326.06866	2.1
326.10486	6.1
336.97992	1.0
339.07208	10.6
351.10840	2.5
354.09665	19.7
357.08356	1.6
369.12006	4.6
372.10718	43.4
516.18884	1.2
534.19836	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	2.0
60.53601	1.4
67.12937	1.0
69.03442	2.4
70.06588	2.6
72.08185	5.3
85.02920	2.4
102.82197	1.2
107.04993	5.6
110.07182	1.8
123.69761	1.5
124.58878	1.2
137.05984	1.8
165.05563	5.5
169.24318	1.3
176.07138	2.2
178.08768	1.7
183.06564	1.7
188.07176	7.1
189.07986	1.4
190.08754	8.5
193.05264	1.5
206.08252	5.1
278.08322	2.1
291.06702	2.2
293.10693	6.1
300.16223	2.2
304.09808	1.9
306.07510	10.6
308.09378	11.8
308.12665	2.2
309.09927	9.5
315.42645	1.4
321.09967	55.2
322.10693	10.7
323.11594	15.3
324.12302	26.0
326.10397	2.3
336.08417	1.8
336.12262	50.0
339.07617	2.5
339.11383	1.6
354.09711	20.5
354.13406	100.0
372.10757	13.7
372.14697	62.7
372.18893	2.6
439.13135	1.3
516.18964	10.8
534.20013	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69728	0.9
70.06599	1.1
78.63652	1.0
84.08156	1.3
85.02905	2.7
107.04971	1.8
120.82233	1.1
155.62981	1.6
160.53073	1.2
162.05542	2.0
165.05458	4.5
177.05450	1.4
188.07169	1.7
190.08633	2.5
206.08188	1.8
222.25847	1.2
264.10202	1.4
264.25894	1.4
278.08197	2.0
283.09558	1.9
293.10504	2.5
295.08450	1.2
306.07690	10.2
308.09265	13.0
308.12552	2.0
309.09949	9.7
311.08221	1.7
321.09955	52.9
321.13519	2.4
322.10791	9.5
323.11465	14.8
324.08731	1.9
324.12241	26.4
326.10117	6.0
336.08679	1.8
336.12274	46.6
337.12927	1.6
339.07300	2.6
352.97986	1.4
354.09583	49.2
354.13382	100.0
372.10672	28.2
372.14478	22.6
516.18689	30.3
534.20245	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15008	0.4
65.48869	0.5
75.68246	0.6
79.23908	0.4
80.86513	0.5
92.01437	0.5
112.04568	0.5
147.56500	0.5
159.81453	0.5
247.99541	0.5
280.09622	1.0
292.09671	0.7
293.10583	1.8
294.11206	23.8
295.12280	0.5
306.11215	6.3
307.08633	0.7
307.11987	0.8
308.09192	13.4
308.12802	2.3
318.11441	1.8
321.09833	1.9
322.10712	30.7
323.11505	50.7
335.11505	0.8
336.12317	11.6
337.12894	4.5
338.13831	53.8
350.13892	11.2
490.18555	3.4
504.16489	3.6
518.18256	3.9
519.18726	2.1
534.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72806	1.0
58.68499	1.4
60.00497	1.2
60.75819	1.1
67.25148	1.1
68.31922	1.2
70.30814	1.1
93.93662	1.2
95.72615	1.3
246.24275	1.4
277.10809	1.6
293.10379	1.5
294.11221	26.2
306.11310	5.9
308.09302	11.1
308.12720	2.5
318.11301	1.9
322.10730	33.1
323.11539	53.7
325.60712	1.5
336.12292	14.3
337.12955	2.9
338.13840	58.2
346.94940	1.6
350.13925	8.3
354.09967	2.6
372.10941	2.8
490.18762	2.4
504.16254	1.8
518.18347	4.8
534.21283	100.0
535.63800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15008	0.4
65.48869	0.5
75.68246	0.6
79.23908	0.4
80.86513	0.5
92.01437	0.5
112.04568	0.5
147.56500	0.5
159.81453	0.5
247.99541	0.5
280.09622	1.0
292.09671	0.7
293.10583	1.8
294.11206	23.8
295.12280	0.5
306.11215	6.3
307.08633	0.7
307.11987	0.8
308.09192	13.4
308.12802	2.3
318.11441	1.8
321.09833	1.9
322.10712	30.7
323.11505	50.7
335.11505	0.8
336.12317	11.6
337.12894	4.5
338.13831	53.8
350.13892	11.2
490.18555	3.4
504.16489	3.6
518.18256	3.9
519.18726	2.1
534.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
77.17180	0.3
97.86364	0.3
210.52190	0.4
277.11093	0.6
279.09015	1.2
280.09821	1.6
292.09857	0.4
293.10440	2.4
294.11237	18.8
304.09784	0.5
306.11200	5.8
307.08868	0.8
307.12183	1.2
308.09293	10.2
308.12946	3.8
309.10251	0.5
318.11307	3.2
320.09384	1.2
320.12857	0.4
321.10101	1.7
322.10727	26.2
323.11505	35.4
332.12576	0.4
334.10730	1.1
335.11710	1.5
336.12280	17.7
337.13068	6.1
338.13852	34.8
350.13843	15.5
364.15506	2.6
416.14929	0.6
444.14246	2.7
445.15054	0.5
458.12170	0.3
473.18423	0.3
488.16943	2.2
490.18884	6.4
500.17517	0.3
502.18811	2.5
504.16714	7.9
518.18365	8.4
519.19055	4.1
533.71252	0.4
534.21375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19542	0.6
51.96229	0.5
55.68336	0.5
67.25539	0.6
71.38728	0.6
85.76886	0.6
119.03024	0.7
184.44295	0.7
200.22624	0.6
279.09012	0.9
280.09836	1.3
293.10519	1.6
294.11212	30.2
306.11212	6.8
308.09143	14.5
308.12439	1.1
322.10709	37.1
323.11499	65.3
334.10797	1.0
336.12277	9.5
338.13831	66.1
350.13882	6.5
534.21252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72986	0.2
63.32364	0.2
66.98248	0.2
67.13074	0.2
72.25315	0.2
87.06464	0.2
87.81187	0.3
94.63298	0.2
111.54107	0.2
124.35308	0.2
292.09601	3.2
318.07669	0.9
319.08340	1.1
320.09155	100.0
322.10745	1.2
324.08646	0.3
334.10696	2.1
336.12271	4.9
373.24734	0.3
534.21240	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30983	0.4
69.66319	0.4
78.06433	0.4
91.30466	0.4
132.24831	0.4
169.68852	0.4
214.43997	0.4
292.09644	3.6
314.55820	0.4
320.09180	100.0
321.09784	0.6
334.10516	0.8
336.12140	3.0
501.66541	0.4
534.21155	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15808	0.3
52.29901	0.3
62.12248	0.3
75.10282	0.3
81.06989	0.6
85.37603	0.4
119.08530	0.4
126.55761	0.4
127.56093	0.4
137.05870	0.3
149.10358	0.3
164.07053	0.6
190.05011	0.4
191.08559	0.5
285.07565	8.9
286.04861	0.7
286.07941	15.8
292.09723	2.6
318.07492	0.4
320.09180	100.0
321.09912	2.3
322.10461	0.9
336.12289	5.6
337.12634	1.8
486.11490	0.5
490.14792	0.5
504.12708	0.7
534.21271	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40271	0.3
88.56145	0.4
97.30457	0.4
99.01354	0.4
146.58127	0.4
171.52475	0.4
268.55939	0.5
292.09598	2.8
319.83957	0.6
320.09161	100.0
321.10043	0.7
322.10306	0.9
334.10873	0.6
336.12268	5.9
337.12842	0.6
534.21088	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83635	0.2
85.02873	0.2
122.61718	0.2
127.25978	0.3
175.72107	0.3
176.06984	0.6
292.09674	3.1
296.08658	0.3
318.07605	0.4
319.08337	0.4
320.09177	100.0
321.09830	0.5
324.08633	0.9
334.10745	2.1
336.12390	2.5
337.12753	0.5
352.15417	0.5
353.16214	0.3
354.16086	0.5
490.15274	0.4
500.11270	0.3
504.12842	0.4
518.13629	0.4
534.21283	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04630	0.2
127.77357	0.2
145.96519	0.2
176.06987	0.4
180.16000	0.2
182.94527	0.2
290.08087	0.2
291.08920	0.3
292.09601	3.3
304.06094	0.3
308.05603	0.3
318.07611	0.9
319.08395	0.5
320.09167	100.0
322.06924	0.3
322.10678	0.3
334.10593	1.6
336.12213	2.2
468.10938	0.9
483.13815	0.2
501.14462	0.3
519.40283	0.2
534.21338	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79639	0.2
57.08973	0.3
57.25588	0.3
58.06763	0.3
85.51253	0.3
109.57832	0.4
121.66937	0.3
128.15161	0.3
132.12419	0.3
163.19598	0.3
178.00514	0.4
285.52075	0.3
292.09637	4.2
307.08463	0.4
320.09171	100.0
321.09821	4.1
322.10684	6.5
334.10617	0.7
336.12296	18.0
379.93176	0.4
516.26581	0.4
534.20471	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25584	0.2
52.63391	0.2
56.16359	0.2
56.23069	0.2
58.06558	0.2
60.15803	0.3
62.03007	0.2
75.76850	0.2
89.82243	0.3
137.08171	0.3
158.46153	0.2
172.88319	0.2
176.07040	1.3
228.08568	0.3
243.26411	0.2
290.08057	0.9
291.08698	0.2
292.09610	2.8
304.06296	0.3
316.62646	0.2
318.07593	1.0
319.08347	0.9
320.09155	100.0
321.09723	0.5
322.10641	0.5
334.10754	3.0
335.11075	0.3
336.12180	1.4
338.13138	0.2
352.15454	0.3
358.10684	0.3
453.22403	0.2
490.46140	0.3
534.21222	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15808	0.3
52.29901	0.3
62.12248	0.3
75.10282	0.3
81.06989	0.6
85.37603	0.4
119.08530	0.4
126.55761	0.4
127.56093	0.4
137.05870	0.3
149.10358	0.3
164.07053	0.6
190.05011	0.4
191.08559	0.5
285.07565	8.9
286.04861	0.7
286.07941	15.8
292.09723	2.6
318.07492	0.4
320.09180	100.0
321.09912	2.3
322.10461	0.9
336.12289	5.6
337.12634	1.8
486.11490	0.5
490.14792	0.5
504.12708	0.7
534.21271	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
73.16154	0.8
111.22909	0.7
113.44632	0.7
119.04955	1.7
137.06006	3.8
147.04463	1.0
151.07556	10.0
153.09196	1.3
154.30389	0.6
165.09091	7.8
166.06300	1.1
166.08679	3.9
171.03938	0.8
175.03876	8.0
178.08627	0.7
179.39348	0.8
180.10188	3.5
181.08591	7.3
190.08618	61.7
191.07063	5.3
191.09386	13.1
192.10271	5.3
193.08661	1.1
194.11862	2.8
204.10204	1.6
207.06564	7.0
208.09674	13.6
231.20117	0.8
241.12265	0.9
254.09421	1.2
263.10657	0.9
265.06616	0.8
269.11710	1.6
277.08655	0.8
281.11765	1.7
282.15305	0.9
285.11246	1.5
291.10297	4.1
292.10919	11.4
308.07239	0.8
308.10559	3.2
310.12384	0.7
313.14529	3.4
322.14487	3.4
323.12579	2.8
326.06696	1.1
338.13983	1.7
339.14816	1.4
341.13968	2.9
354.16983	14.3
372.18054	40.9
529.41638	0.8
534.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
73.16154	0.8
111.22909	0.7
113.44632	0.7
119.04955	1.7
137.06006	3.8
147.04463	1.0
151.07556	10.0
153.09196	1.3
154.30389	0.6
165.09091	7.8
166.06300	1.1
166.08679	3.9
171.03938	0.8
175.03876	8.0
178.08627	0.7
179.39348	0.8
180.10188	3.5
181.08591	7.3
190.08618	61.7
191.07063	5.3
191.09386	13.1
192.10271	5.3
193.08661	1.1
194.11862	2.8
204.10204	1.6
207.06564	7.0
208.09674	13.6
231.20117	0.8
241.12265	0.9
254.09421	1.2
263.10657	0.9
265.06616	0.8
269.11710	1.6
277.08655	0.8
281.11765	1.7
282.15305	0.9
285.11246	1.5
291.10297	4.1
292.10919	11.4
308.07239	0.8
308.10559	3.2
310.12384	0.7
313.14529	3.4
322.14487	3.4
323.12579	2.8
326.06696	1.1
338.13983	1.7
339.14816	1.4
341.13968	2.9
354.16983	14.3
372.18054	40.9
529.41638	0.8
534.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86345	0.7
58.06607	1.2
61.62371	0.8
65.21340	0.7
65.29974	0.7
72.99085	0.7
75.31155	0.7
85.02925	1.1
85.61952	1.0
92.21474	0.8
107.04959	1.4
119.04889	3.4
121.06478	0.8
126.53820	0.6
137.05952	1.9
147.04453	4.5
147.80672	0.8
151.07532	11.5
153.09087	1.9
165.09123	7.2
166.06279	1.5
166.08607	8.6
175.03871	13.0
176.06949	1.0
178.08650	2.0
179.06973	1.1
179.09300	1.4
180.10234	1.9
181.08606	8.9
190.08627	62.2
191.07077	3.4
191.09387	13.4
192.10190	4.4
193.08614	1.0
194.11729	1.5
204.10199	3.1
207.06517	18.7
208.09677	14.0
222.11237	0.9
241.12259	1.3
269.11734	1.5
281.11694	3.7
286.14331	3.5
291.10181	4.2
292.10983	12.6
301.19543	0.8
307.11371	1.0
308.10373	1.3
313.14264	3.6
322.10611	1.2
322.14377	2.9
323.12390	1.5
324.55704	0.9
326.06509	1.9
338.13916	1.8
339.14532	5.5
341.13785	3.5
354.16937	13.2
358.09262	1.7
372.10730	1.5
372.18066	39.4
398.24963	0.9
452.73193	0.9
472.19308	1.5
474.09909	1.1
534.12567	2.8
534.23633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.7
63.06303	0.6
80.16398	0.6
119.04963	1.1
127.78452	0.8
128.98860	0.9
137.05948	1.3
145.89192	1.0
147.04485	0.9
151.07529	8.3
165.09073	5.9
166.08640	5.1
175.03979	3.8
180.10201	3.0
181.08583	8.7
189.64474	0.8
190.08627	58.2
191.07069	3.9
191.09433	14.3
192.10289	5.0
194.11734	0.8
207.06570	6.0
208.09698	12.6
241.11990	0.7
254.09610	0.9
277.08655	0.9
281.11823	3.6
291.10245	4.3
292.10922	10.4
308.10342	1.4
311.12964	1.3
322.14557	4.2
323.12341	0.9
338.13754	1.4
339.14523	3.3
341.13989	2.8
354.17001	12.7
372.18033	35.4
482.53247	0.9
534.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
73.16154	0.8
111.22909	0.7
113.44632	0.7
119.04955	1.7
137.06006	3.8
147.04463	1.0
151.07556	10.0
153.09196	1.3
154.30389	0.6
165.09091	7.8
166.06300	1.1
166.08679	3.9
171.03938	0.8
175.03876	8.0
178.08627	0.7
179.39348	0.8
180.10188	3.5
181.08591	7.3
190.08618	61.7
191.07063	5.3
191.09386	13.1
192.10271	5.3
193.08661	1.1
194.11862	2.8
204.10204	1.6
207.06564	7.0
208.09674	13.6
231.20117	0.8
241.12265	0.9
254.09421	1.2
263.10657	0.9
265.06616	0.8
269.11710	1.6
277.08655	0.8
281.11765	1.7
282.15305	0.9
285.11246	1.5
291.10297	4.1
292.10919	11.4
308.07239	0.8
308.10559	3.2
310.12384	0.7
313.14529	3.4
322.14487	3.4
323.12579	2.8
326.06696	1.1
338.13983	1.7
339.14816	1.4
341.13968	2.9
354.16983	14.3
372.18054	40.9
529.41638	0.8
534.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25462	0.6
76.94979	0.7
85.30232	0.6
101.39756	0.7
107.04983	0.7
119.04996	1.1
132.95181	0.7
137.06062	2.7
147.04530	1.1
151.07564	9.4
153.09084	1.6
155.39622	0.7
165.09091	9.0
166.06227	1.3
166.08659	3.9
175.03941	3.9
179.07036	0.8
180.10257	3.3
181.08592	8.7
187.19479	0.7
190.08624	64.7
191.07010	5.1
191.09389	12.6
191.10704	0.8
192.10190	6.1
193.08723	1.2
194.11838	0.9
207.06522	5.0
208.09700	15.2
241.12271	1.1
269.11844	1.5
277.08490	1.0
281.11853	1.6
291.10211	4.0
292.10901	14.2
294.62253	0.7
308.10410	3.5
309.11261	0.7
309.40607	0.9
311.12833	1.3
313.14532	2.5
322.10825	0.9
322.14474	3.0
323.12781	1.0
338.14090	2.7
339.14722	3.7
341.13910	3.7
352.14923	0.8
354.16998	15.0
372.18066	37.5
534.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97475	0.4
58.06611	0.9
63.30774	0.3
69.03432	0.4
85.02890	0.6
88.00603	0.4
97.02863	0.3
98.25396	0.3
121.06559	0.4
127.03949	0.4
137.05966	0.6
149.06024	2.7
150.06757	0.6
151.07533	8.4
165.09103	11.0
167.07002	2.5
175.07582	0.6
177.05460	2.0
178.25716	0.4
179.07060	0.7
181.08595	0.6
188.07059	0.3
188.59250	0.4
190.08618	8.6
191.07066	0.6
191.09483	0.8
192.10242	2.6
193.11017	0.8
194.11795	4.8
204.10197	41.7
205.10980	12.0
206.11780	2.8
208.09743	1.5
208.13374	0.8
222.11230	14.2
222.13278	0.6
241.12207	0.6
263.10693	4.0
281.11865	1.5
285.11298	0.5
291.10120	7.6
292.10800	2.8
301.14374	1.7
311.12823	0.9
313.14249	2.7
321.06348	1.4
322.10925	0.5
322.14438	2.0
323.12216	4.1
323.15924	1.3
329.13940	0.6
336.08679	0.7
338.13989	0.8
339.14612	1.8
341.13828	2.9
352.15335	0.4
354.10168	0.8
354.16971	13.3
372.18063	50.0
380.96603	0.4
458.12476	0.7
468.02451	0.4
534.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47953	0.4
54.87044	0.5
58.06596	1.0
66.85682	0.5
69.23248	0.6
73.97344	0.4
74.12806	0.6
77.77735	0.6
85.02950	0.5
91.05464	0.7
96.32626	0.6
97.02888	0.6
137.06044	2.2
149.05984	7.4
151.07527	9.1
165.09117	9.1
167.07069	1.0
177.05508	3.8
188.07089	1.2
190.08611	9.4
191.09486	0.8
192.10286	3.2
193.11011	1.3
194.11836	3.5
204.10190	52.7
205.10976	11.8
205.12560	0.6
206.08284	2.8
206.11720	7.0
208.13342	0.8
222.11256	15.4
237.09143	0.9
249.09195	0.6
263.10837	3.8
275.87180	0.6
281.11810	1.1
283.09796	0.7
285.11133	1.1
291.10132	11.2
292.11188	1.1
308.10492	0.7
311.12875	2.2
313.14664	2.7
317.39795	0.7
322.14487	1.2
323.12476	1.2
323.15799	1.7
338.14041	1.0
339.14874	2.5
341.14099	3.5
354.13446	2.7
354.17194	11.1
372.14288	2.0
372.18091	31.5
428.15173	0.7
432.76929	0.7
534.23535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13446	0.4
58.06620	0.5
70.06593	0.5
100.28652	0.4
107.04967	0.7
119.04919	0.5
136.05196	0.6
137.06027	0.8
141.48824	0.5
147.66252	0.4
151.07532	9.2
153.09119	0.7
163.07593	0.8
165.09076	8.1
165.10219	0.5
166.06329	1.8
167.68787	0.5
175.06250	0.7
180.10173	3.1
181.08601	8.1
187.08012	0.4
190.08624	56.1
191.06999	4.1
191.09401	15.1
192.10161	5.2
193.08701	0.8
194.11809	1.9
208.09694	14.4
222.11276	2.4
236.18407	0.4
238.09918	0.5
241.12277	0.5
253.12396	0.6
269.11853	1.8
279.10251	0.6
280.11133	0.6
281.11716	3.5
285.11108	0.9
286.14395	0.6
291.10095	4.2
292.10944	11.2
308.10269	2.9
309.11316	0.7
311.12888	1.9
313.14218	2.8
322.14465	3.2
323.12830	2.9
325.14499	0.7
338.14041	1.8
339.14661	3.4
341.13739	3.4
352.15536	0.9
354.17029	12.6
372.18027	37.8
430.33862	0.4
442.63666	0.5
534.23389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2954
Annotation	Roehybridine
Peak:m/z	Relative Intensity
56.75259	2.4
64.37343	2.6
66.89317	2.5
71.23913	2.6
72.09430	2.3
72.64715	2.4
73.15604	2.3
73.90481	2.7
76.87898	2.8
77.35017	2.8
86.09722	20.4
104.10085	4.3
104.10753	100.0
106.12909	2.9
115.18071	3.8
126.13432	2.7
128.43410	2.7
134.06041	5.4
135.23346	3.1
166.66049	3.1
206.39722	3.9
313.78174	3.6
409.72992	3.2
475.22180	19.8
498.32306	5.0
534.29706	67.3
534.37549	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25440	0.6
58.06592	0.9
59.62937	0.6
60.08167	6.3
60.97783	0.7
71.07376	1.1
86.09705	26.6
104.10746	27.4
107.19973	0.7
124.99995	13.6
184.07336	100.0
220.52240	0.7
220.99007	0.8
257.69946	0.8
334.10678	1.4
336.12524	0.9
401.25980	0.8
404.11691	1.0
516.19641	1.1
534.13049	0.9
534.24902	3.9
534.31970	37.8
534.40491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	5.9
85.93782	0.9
86.09701	21.9
93.92435	1.2
95.16678	1.0
104.10743	16.6
125.00022	9.9
130.33360	1.0
133.48712	1.2
152.90358	1.2
184.07338	100.0
203.52516	1.1
334.10632	2.4
336.12262	1.8
534.24982	2.9
534.31952	27.9
534.39417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18383	0.2
55.99552	0.1
56.05036	0.2
56.74343	0.2
58.06597	0.2
60.07876	0.2
60.08171	5.4
63.51345	0.2
66.14874	0.2
71.07361	1.2
76.90407	0.2
83.08669	0.2
86.09708	22.4
88.33014	0.2
95.08586	0.2
104.10759	3.2
124.99999	11.5
131.49098	0.2
184.07335	100.0
253.74126	0.2
292.97110	0.2
306.07751	0.2
306.95804	0.2
320.09232	0.4
323.11609	0.3
334.10815	0.3
336.12524	0.8
349.09396	0.4
364.08533	0.2
503.69638	0.2
516.31207	1.6
534.25049	1.3
534.31927	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	0.3
57.03829	0.3
57.90432	0.3
58.06585	0.4
60.08168	11.3
67.05515	0.4
71.07391	2.7
71.08636	1.8
79.05521	0.5
79.34077	0.4
81.07042	0.5
86.09708	36.6
91.05502	0.4
93.07019	0.7
95.08605	0.3
99.08101	1.4
104.10748	86.0
107.08611	0.7
109.39946	0.3
125.00003	15.5
133.10184	0.4
145.04739	0.4
161.13257	0.5
163.01500	0.5
179.14171	0.5
184.07336	100.0
219.16785	0.4
320.09235	0.5
322.10706	0.6
334.10638	1.5
336.12357	1.6
352.47821	0.4
516.30963	2.8
534.24921	4.7
534.31891	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22413	1.9
60.08163	9.7
64.01233	1.5
71.07364	1.8
79.05499	2.1
86.09706	41.5
88.52440	1.5
104.10069	3.7
104.10748	84.0
110.72099	1.7
125.00027	14.3
131.95148	1.7
140.53723	1.8
156.22859	1.6
184.07338	100.0
320.09222	3.3
321.09894	3.0
322.10504	2.4
334.10779	6.3
336.12195	3.6
393.42480	2.6
427.23953	1.7
516.30695	2.7
534.24670	12.0
534.32013	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90260	1.0
57.11362	0.9
60.08166	9.6
71.16348	1.1
86.09706	40.9
103.80246	1.2
104.10747	78.8
104.11449	2.6
125.00029	16.0
148.05440	1.0
150.40434	1.1
153.22794	1.0
184.07336	100.0
320.09155	2.5
334.10547	2.0
335.11115	1.2
336.08560	1.5
336.12289	2.5
339.65247	1.4
388.96750	1.4
498.30075	3.5
516.30829	64.4
534.38739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41858	0.4
56.05012	0.4
60.08166	7.2
62.62304	0.4
71.07360	2.1
73.80596	0.4
78.47516	0.4
79.05470	0.5
81.07066	0.6
86.09707	27.2
93.07037	0.5
96.84574	0.4
104.10742	34.4
105.07027	0.5
119.08495	0.7
124.99995	13.6
154.12196	0.5
177.41708	0.5
177.76360	0.5
184.07330	100.0
190.05159	0.5
199.07372	0.5
210.89575	0.5
278.95251	0.4
296.09058	2.0
320.09100	1.1
321.09915	0.9
334.10709	0.5
336.12271	3.1
498.29282	0.9
502.14374	0.6
516.30804	35.8
534.16943	2.1
534.24548	3.1
534.31879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05511	0.5
57.07081	9.3
59.23852	0.4
67.05519	3.7
68.88342	0.5
69.03432	4.2
69.07072	2.8
70.56949	0.4
71.04986	0.9
71.08633	9.3
73.02917	11.2
75.75666	0.5
79.92693	0.4
81.03416	11.5
81.07055	5.2
83.08629	4.3
85.02904	9.3
85.10177	5.3
87.04462	1.0
93.07050	0.5
95.08612	7.4
97.02887	11.4
97.10172	1.7
99.04451	100.0
108.04506	0.6
109.02876	6.8
109.10168	4.0
123.11681	2.0
127.03922	11.7
141.05441	2.8
145.04955	2.7
156.43509	0.6
207.06465	0.7
225.07549	5.2
239.23705	5.1
243.08618	12.9
383.27777	1.7
390.00912	0.5
463.30450	2.1
481.31552	15.7
499.32687	9.9
534.34644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
57.03444	4.0
57.07077	7.6
57.76955	3.1
67.05514	66.4
68.56977	3.3
69.03429	7.4
69.07067	31.0
71.08647	4.3
78.04588	3.2
79.05499	21.4
81.03419	5.3
81.07063	100.0
83.04977	5.7
83.08609	20.4
85.02928	28.2
85.06532	3.4
91.05473	17.1
93.06561	3.6
93.07034	32.6
95.04987	3.7
95.08608	64.4
97.02891	17.2
97.06515	5.0
97.10164	8.6
99.04476	3.8
105.07043	21.3
107.08591	23.0
109.02849	3.9
109.10159	46.4
111.11750	4.6
119.08604	16.4
121.06514	6.4
121.10165	25.0
123.11684	28.6
127.03938	15.4
131.08545	4.8
133.10129	21.5
135.11708	18.1
137.13269	7.4
140.39359	3.6
140.80058	4.1
145.04987	6.5
145.10109	8.0
147.11708	8.1
149.13171	11.2
151.11160	4.8
159.11688	4.2
161.13248	6.9
173.13342	5.0
245.22597	4.8
261.22159	13.4
263.23621	25.1
299.49689	4.0
320.08649	4.1
336.12302	6.8
347.25851	19.4
353.24542	4.8
371.25824	19.0
389.26892	20.3
407.27917	23.7
425.28992	80.3
534.27472	5.0
534.36218	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18419	1.6
53.03947	9.2
57.07074	10.5
59.45706	1.8
62.81680	2.1
66.46556	2.2
69.03425	7.8
69.07085	2.2
70.13168	1.9
71.08640	10.5
73.02900	8.7
81.03421	13.3
81.07074	2.8
83.08614	2.9
85.02902	13.6
85.10194	3.3
95.08600	4.2
97.02885	10.3
97.04230	2.0
99.04459	100.0
109.02880	10.4
109.10168	3.6
111.73559	2.1
112.69061	1.9
127.03913	13.9
173.10092	2.4
191.10312	2.7
243.08603	9.9
463.30600	3.5
481.31744	16.2
483.74362	2.6
499.32419	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	13.3
57.07083	10.6
60.08170	5.9
60.16711	5.8
67.05508	56.6
69.07060	26.1
71.08620	6.2
71.94229	5.7
73.97498	6.0
79.05495	10.4
80.41933	6.1
81.07066	100.0
83.08614	16.0
86.09665	8.1
86.29025	5.9
89.00089	5.4
91.05461	8.5
92.21526	12.7
93.07040	27.3
95.08614	95.0
97.10160	12.4
97.85235	5.7
104.10738	26.0
107.08582	12.3
109.10164	54.7
119.08575	15.1
121.10153	36.0
123.11670	13.4
133.10101	13.2
135.11665	11.1
137.13277	12.4
146.37073	6.3
147.11710	9.1
149.13342	10.7
161.13249	15.1
175.14867	9.9
179.17876	9.7
184.07341	42.0
189.16211	7.4
197.84912	7.3
245.22620	44.8
263.23615	82.9
295.31567	6.8
320.09277	11.4
336.12219	16.0
337.27240	49.1
355.28543	27.7
475.17886	8.0
534.28259	9.8
559.09631	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29123	1.6
70.06595	7.5
88.07647	15.3
102.09197	10.0
102.26155	1.7
137.00256	1.9
137.02676	1.8
168.70413	1.7
219.17429	87.7
256.26337	100.0
274.27472	6.5
405.82666	1.9
534.45190	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10332	0.8
57.48847	1.0
59.89537	0.9
66.26565	0.9
69.03438	1.5
81.03409	7.7
84.08157	1.4
85.02907	4.6
86.09692	1.7
91.05476	2.3
117.03341	1.8
119.04937	7.4
121.06484	1.4
124.05228	2.0
127.03957	1.9
137.05971	27.6
145.02838	14.7
147.04402	6.1
149.05922	2.2
150.06743	2.1
151.03908	1.1
151.07552	6.6
154.70081	1.0
161.05954	1.9
162.06767	4.7
164.10727	2.6
169.38525	1.0
169.40176	0.9
173.06018	1.3
175.03897	13.7
177.05461	24.9
178.04951	2.6
179.05391	2.6
179.06885	1.5
180.07840	1.3
186.03046	2.3
189.05463	1.4
190.08582	7.4
191.09058	5.8
201.05469	100.0
201.61986	1.0
203.07018	2.2
213.05414	1.4
231.06563	4.1
233.05983	4.4
234.06749	1.9
237.09215	1.5
249.09065	5.3
257.14926	1.0
262.06049	3.6
263.07047	1.3
265.08563	6.3
271.08920	1.0
277.08667	11.4
290.05753	7.6
292.07257	1.4
293.08051	7.2
293.11084	1.8
294.09213	1.3
297.11362	1.4
305.07953	16.2
307.09454	9.2
309.11478	1.8
311.85794	1.1
319.09607	1.7
322.08331	5.2
325.10660	8.4
337.10931	9.8
352.08185	2.0
353.08331	12.1
354.08646	7.3
355.12024	79.8
371.09479	8.3
372.09927	8.2
372.17831	1.4
373.10065	10.1
373.18344	6.4
381.10648	8.9
391.14813	1.2
451.25262	5.8
461.13483	2.1
481.26370	2.6
517.16876	5.8
517.28210	1.5
535.16583	12.3
535.23871	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.05517	2.5
56.16372	1.7
57.03457	2.1
57.41766	1.7
63.41248	2.2
65.03925	2.6
67.05513	16.7
68.99796	2.4
69.03439	16.1
69.07063	4.2
71.04972	2.8
73.02924	13.1
77.09278	2.0
79.05493	11.9
81.03423	18.7
81.07064	2.4
83.04960	5.0
85.02914	60.1
85.06099	2.7
85.06538	21.7
87.04451	3.2
91.05480	9.3
92.20898	4.3
93.03385	2.1
93.07016	2.7
95.04991	3.3
97.02908	9.7
97.06543	9.3
99.04457	71.3
107.04965	2.1
109.02872	4.2
109.06554	3.3
113.06036	9.8
119.04915	3.9
119.08582	2.5
120.02084	3.4
121.02879	15.2
127.03921	12.4
127.65128	2.2
133.02853	8.4
133.06508	2.4
135.04413	13.6
137.06017	23.3
139.03935	3.5
147.04399	13.4
149.02382	10.6
151.07614	2.4
153.05449	18.0
161.02419	2.9
163.03947	24.3
165.05460	2.7
173.06021	3.3
177.01863	37.2
177.05522	15.7
179.07083	9.0
181.04918	36.3
185.05949	3.4
193.05020	19.0
194.02121	3.2
201.05609	3.1
201.09172	3.3
203.07108	9.8
205.04897	7.9
209.04449	100.0
215.07033	4.0
216.07887	2.5
229.10789	3.2
233.08105	10.5
243.06561	3.2
245.08298	4.0
247.09593	5.2
273.07538	10.3
275.09097	4.3
290.08139	2.6
293.10229	3.6
317.14020	3.2
319.08383	4.3
320.09088	17.1
321.09561	8.5
322.10547	3.4
323.11023	2.6
334.10779	10.4
336.08728	3.2
336.12363	23.0
337.12451	17.6
400.39136	2.2
507.18350	15.7
535.17462	11.9
535.25006	11.3
535.65222	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.8
58.02791	2.6
58.06623	3.8
63.55709	3.2
65.27567	2.5
67.05544	3.2
69.03434	6.9
73.02935	4.6
77.57792	3.5
79.05490	5.0
81.02982	3.3
81.03415	23.5
85.02904	37.0
85.06557	3.7
85.16946	3.0
91.05501	4.6
95.04968	6.7
95.08598	2.8
97.02891	7.7
99.04462	100.0
99.60112	3.0
105.07014	6.1
107.74826	2.9
109.02943	3.2
109.06580	3.3
120.02072	3.3
121.02909	12.9
125.05975	4.9
127.03938	6.2
132.67914	3.0
133.02823	3.6
135.04414	7.8
137.06012	22.2
147.04395	4.7
153.05450	5.3
159.08044	3.4
159.67641	3.5
163.03925	22.2
177.01869	6.2
177.05467	13.9
181.05002	23.4
209.04465	59.0
212.91608	3.3
233.08165	6.6
243.08646	5.2
245.07967	4.9
257.38931	3.6
275.09180	12.9
278.07983	3.5
285.78787	3.7
290.08148	3.8
296.08884	5.9
308.08725	4.0
310.10553	4.5
311.11115	5.9
318.07391	6.4
319.08377	19.4
320.08954	29.9
321.09628	20.6
322.10532	37.4
323.11047	38.3
325.09186	5.8
334.10748	35.8
335.11224	13.4
336.08765	5.2
336.12323	53.0
337.12634	84.4
367.10229	5.9
487.11832	7.3
489.13843	4.8
504.14139	17.5
505.13095	25.4
520.14850	5.4
535.17737	91.5
535.25012	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.27
Annotation	GV 150013X
Peak:m/z	Relative Intensity
66.36388	0.5
102.06526	0.4
107.01925	0.4
162.20444	0.4
325.41971	0.5
405.20602	1.0
420.23459	1.0
420.61566	0.5
433.19702	5.1
434.24622	7.9
435.25430	18.9
447.21582	14.4
448.26260	2.1
461.23334	3.1
462.23483	4.4
463.28568	3.4
492.25195	1.0
506.22873	4.9
507.27652	15.7
511.59058	0.6
520.24396	1.0
535.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.9
55.23367	1.4
57.03439	3.7
61.51477	1.6
65.89587	1.4
67.05511	21.1
68.17305	1.5
69.03438	12.1
69.07066	9.0
69.43208	1.6
73.02941	2.0
79.05499	21.0
81.03412	9.9
81.07063	27.4
83.04973	7.3
83.08625	2.2
85.02908	10.6
87.04444	4.3
87.18343	1.7
91.05481	19.9
93.07037	25.4
95.04953	2.1
95.08600	21.3
97.02895	13.6
97.10143	3.3
99.04464	4.0
105.07029	30.7
107.04955	1.7
107.08588	17.4
109.02865	7.4
109.06551	3.7
109.10163	8.4
111.04430	8.3
115.03933	100.0
117.07023	8.3
119.08569	31.5
121.10137	24.3
127.03960	3.6
129.06995	6.9
131.08546	22.6
133.10135	32.4
135.11667	21.6
143.08543	9.5
144.20175	2.1
145.10126	27.3
147.08083	2.9
147.11685	33.4
149.13269	15.1
155.08499	3.1
157.10112	10.5
159.11690	28.8
161.13254	25.5
163.11107	1.9
163.14864	4.3
169.10098	8.5
171.11688	17.7
173.09666	3.1
173.13248	22.2
175.11095	7.0
175.14706	12.3
177.12714	2.2
183.11685	3.8
185.13281	12.2
187.14821	8.2
195.11731	2.7
197.13187	2.8
199.14763	6.2
201.12770	2.6
201.16457	1.8
209.13243	2.1
211.14713	2.2
213.16426	2.8
215.14275	2.4
215.17900	2.0
217.15982	2.4
231.21078	2.0
239.17975	4.2
241.19542	12.5
257.18982	10.9
259.20547	33.1
271.20651	3.3
275.20087	7.9
277.21686	3.7
289.21780	1.8
301.21664	6.4
339.23276	1.9
343.22638	2.5
349.21658	2.6
367.22644	10.8
385.23773	26.2
403.24774	36.0
421.25797	84.7
423.25671	1.9
535.29108	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.9
55.23367	1.4
57.03439	3.7
61.51477	1.6
65.89587	1.4
67.05511	21.1
68.17305	1.5
69.03438	12.1
69.07066	9.0
69.43208	1.6
73.02941	2.0
79.05499	21.0
81.03412	9.9
81.07063	27.4
83.04973	7.3
83.08625	2.2
85.02908	10.6
87.04444	4.3
87.18343	1.7
91.05481	19.9
93.07037	25.4
95.04953	2.1
95.08600	21.3
97.02895	13.6
97.10143	3.3
99.04464	4.0
105.07029	30.7
107.04955	1.7
107.08588	17.4
109.02865	7.4
109.06551	3.7
109.10163	8.4
111.04430	8.3
115.03933	100.0
117.07023	8.3
119.08569	31.5
121.10137	24.3
127.03960	3.6
129.06995	6.9
131.08546	22.6
133.10135	32.4
135.11667	21.6
143.08543	9.5
144.20175	2.1
145.10126	27.3
147.08083	2.9
147.11685	33.4
149.13269	15.1
155.08499	3.1
157.10112	10.5
159.11690	28.8
161.13254	25.5
163.11107	1.9
163.14864	4.3
169.10098	8.5
171.11688	17.7
173.09666	3.1
173.13248	22.2
175.11095	7.0
175.14706	12.3
177.12714	2.2
183.11685	3.8
185.13281	12.2
187.14821	8.2
195.11731	2.7
197.13187	2.8
199.14763	6.2
201.12770	2.6
201.16457	1.8
209.13243	2.1
211.14713	2.2
213.16426	2.8
215.14275	2.4
215.17900	2.0
217.15982	2.4
231.21078	2.0
239.17975	4.2
241.19542	12.5
257.18982	10.9
259.20547	33.1
271.20651	3.3
275.20087	7.9
277.21686	3.7
289.21780	1.8
301.21664	6.4
339.23276	1.9
343.22638	2.5
349.21658	2.6
367.22644	10.8
385.23773	26.2
403.24774	36.0
421.25797	84.7
423.25671	1.9
535.29108	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4147
Annotation	Toxicol B
Peak:m/z	Relative Intensity
55.05514	4.7
59.89133	0.6
67.05508	11.8
69.07078	6.5
69.07383	0.6
70.23328	0.8
79.05493	3.7
81.07067	15.4
83.08615	6.1
85.06546	1.0
91.05485	3.6
93.07043	5.7
95.08604	14.4
97.06539	1.2
97.10160	3.1
105.07037	3.8
107.08609	5.0
108.58043	0.9
108.65362	0.7
108.77755	0.6
109.10162	11.4
117.07000	1.4
119.08594	4.6
120.08905	0.7
121.10151	4.9
123.11703	3.1
125.09680	1.3
129.07010	2.9
131.08578	4.8
133.10127	6.1
135.11687	2.7
141.06958	1.0
143.08572	3.8
145.10117	6.7
147.11716	3.9
149.13335	0.9
155.08571	7.4
157.10092	6.6
159.11688	8.0
161.13237	1.4
167.08583	3.2
168.09422	0.7
169.10124	11.4
171.11595	7.5
173.13295	3.0
175.14758	0.9
181.10091	5.1
183.11682	16.4
185.13263	7.2
187.14835	1.3
193.10225	1.0
195.11688	9.5
197.13231	12.3
199.14874	3.7
201.16403	0.8
207.11743	1.7
209.13243	10.3
211.14763	9.6
213.16417	3.1
221.13315	1.8
223.14769	8.9
225.16397	7.8
227.17920	1.0
235.14838	1.8
237.16408	6.5
239.17949	5.3
247.14760	1.0
249.16389	1.7
251.17958	3.5
253.19592	3.7
263.17935	1.1
265.19507	1.6
267.21182	2.7
275.17654	0.9
277.19467	1.4
279.21115	1.6
281.22546	1.0
283.20663	0.8
293.18988	1.2
293.22482	1.0
297.18430	1.3
305.22534	1.0
307.20502	1.8
309.22131	2.9
311.20184	1.0
321.22137	4.5
323.23700	1.6
325.21646	1.2
333.22195	0.9
335.23520	3.2
339.23254	1.6
349.25195	2.8
353.24832	1.2
363.27106	0.9
377.28177	0.9
409.31158	1.1
447.32486	3.4
461.34131	1.0
499.39386	4.4
517.40430	49.5
535.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
57.65277	1.5
63.21009	1.7
64.21170	1.5
64.43067	1.6
67.05511	15.5
69.07067	8.8
79.05495	7.1
81.07075	20.2
83.08642	3.0
90.39869	1.5
91.05472	3.1
93.07045	7.3
95.08616	15.1
97.10156	2.1
99.04440	1.7
105.07060	2.9
107.08613	6.5
109.10178	10.4
119.08600	7.8
121.10226	4.1
123.11722	1.9
131.08585	3.3
133.10115	7.2
135.11708	2.2
143.08549	2.4
145.10158	6.5
155.08588	10.3
157.10146	8.4
159.11687	7.6
161.13264	1.8
164.86337	1.7
169.10155	10.3
171.11736	10.8
173.13316	3.1
181.10167	7.5
183.11707	17.1
184.43057	1.5
185.13268	7.0
195.11678	4.0
197.13255	16.0
199.14871	2.4
207.11800	2.9
209.13216	11.4
211.14737	14.4
213.16551	2.0
213.26793	1.6
220.92398	1.7
223.14885	9.2
225.16386	6.7
237.16542	3.0
239.18008	2.4
249.16380	2.3
251.18086	2.0
253.19524	2.1
263.17920	2.1
305.22751	2.8
307.20737	2.0
335.23682	2.8
346.93417	1.8
363.27100	3.0
365.28149	2.0
380.56946	1.7
449.32971	1.9
517.40350	57.8
535.33643	3.2
535.41528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66582	0.6
55.78407	0.6
56.47026	0.5
62.03686	0.7
66.85622	0.6
71.97063	0.6
91.21041	0.6
175.03918	1.2
189.34151	0.7
207.06583	1.1
290.08066	9.2
300.98615	0.8
302.08096	2.7
304.06049	9.7
310.35760	0.8
318.07617	13.0
319.08383	56.8
320.09357	1.0
321.10065	1.2
334.10727	100.0
336.12204	1.3
343.48499	0.7
352.15427	1.0
492.16339	3.9
536.15479	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1763
Annotation	Davallioside A
Peak:m/z	Relative Intensity
51.84393	0.4
59.16169	0.5
62.70974	0.4
63.37934	0.5
70.06603	0.6
75.18890	0.5
85.02905	0.8
120.08114	1.2
148.07573	2.4
166.08604	0.7
177.07890	2.8
178.08627	18.4
198.55286	0.6
199.58182	0.6
219.62187	0.5
282.11252	3.6
298.10742	8.5
299.11459	4.0
328.11783	100.0
374.12341	97.9
490.17072	3.6
536.17609	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04650	0.6
57.03421	0.6
69.03437	2.7
70.06590	1.1
81.03402	0.9
84.08106	0.7
85.02904	8.2
97.02887	3.4
100.32622	0.6
109.02866	1.3
115.03891	0.7
119.04951	0.8
127.03837	1.9
137.05936	2.6
145.02858	5.2
145.04875	0.9
163.07515	1.2
164.07079	1.5
165.05469	1.6
177.05453	23.8
178.06252	1.4
192.06480	1.1
193.04913	1.2
195.06525	4.7
221.06073	0.9
232.56235	0.7
251.09360	1.0
252.10327	1.0
259.77777	0.6
266.08130	2.7
267.08798	1.0
280.06064	3.9
281.10437	11.3
282.07578	4.0
282.11127	5.0
294.07382	0.9
295.08377	12.6
296.09210	1.0
297.09952	13.6
308.05548	12.5
312.12170	4.9
323.07870	81.7
325.09338	3.3
326.06494	6.1
328.11743	2.8
338.10205	100.0
341.08817	5.5
356.11221	21.8
374.12201	20.3
374.15790	1.5
536.17474	88.3
538.27069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12897	0.6
57.03438	1.0
58.06610	1.1
61.02935	0.8
69.03440	4.3
73.02940	0.8
81.03428	1.2
85.02917	12.2
87.04455	1.5
97.02908	5.0
109.02898	0.8
121.06564	1.6
127.03963	1.4
137.06000	1.4
146.06042	0.8
147.52284	0.8
149.05984	22.0
149.07072	1.2
151.07556	20.5
160.07637	3.5
161.08432	0.9
164.07030	5.9
165.05518	4.3
167.07039	23.7
167.08357	1.3
177.05495	1.0
178.08710	1.0
179.09409	25.5
179.10858	1.2
180.10175	16.8
183.06683	1.2
190.08690	4.2
192.10219	6.4
195.06522	7.6
206.08128	9.2
208.09785	0.9
209.08183	1.0
231.37373	0.8
251.41216	0.7
253.08720	1.0
284.10370	2.7
293.08090	1.6
300.12631	1.4
313.79474	1.0
331.11801	1.5
356.15164	1.5
374.16031	18.8
375.00525	0.8
536.21332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	100.0
61.20356	1.0
69.03448	1.2
70.06608	1.8
71.72526	1.0
72.08167	8.1
74.06087	1.4
74.44995	1.0
75.24072	1.1
75.50460	1.0
81.03418	1.2
85.02911	7.7
86.39452	1.2
94.72963	1.2
95.97606	1.1
97.02866	2.0
149.37306	1.1
151.03885	4.8
197.64555	1.1
243.06587	2.2
271.06067	5.2
303.08829	1.5
306.38281	1.2
311.09122	4.9
356.15054	1.4
374.12378	2.1
536.21252	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82196	0.5
57.33700	0.5
58.06612	35.2
69.03443	2.7
70.06563	0.5
81.03402	0.7
84.74851	0.6
85.02925	6.9
91.61539	0.6
97.02907	1.3
99.04449	1.0
109.02901	0.7
115.54576	0.6
120.18927	0.6
121.06499	1.0
127.03945	1.6
145.02899	2.6
145.80450	0.6
147.06036	0.9
177.05516	8.3
181.06497	0.8
195.06541	0.9
201.05592	0.7
201.09045	1.2
223.07521	0.8
227.07115	6.5
251.07147	2.8
254.05913	1.1
255.06421	1.1
267.06732	0.8
268.07520	0.9
269.07986	5.8
279.06613	6.4
282.05264	2.9
283.09692	4.1
292.00650	0.7
293.07916	1.3
296.06830	2.5
297.07593	50.6
298.08505	0.9
299.05630	1.6
299.09219	1.4
305.12509	0.8
311.09125	16.1
312.09732	0.7
313.07175	1.3
314.07849	21.7
314.11288	1.0
316.09705	1.1
327.08722	2.8
329.10193	11.2
331.11954	0.9
356.10614	0.7
374.16040	2.9
491.15543	3.0
536.21301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82196	0.5
57.33700	0.5
58.06612	35.2
69.03443	2.7
70.06563	0.5
81.03402	0.7
84.74851	0.6
85.02925	6.9
91.61539	0.6
97.02907	1.3
99.04449	1.0
109.02901	0.7
115.54576	0.6
120.18927	0.6
121.06499	1.0
127.03945	1.6
145.02899	2.6
145.80450	0.6
147.06036	0.9
177.05516	8.3
181.06497	0.8
195.06541	0.9
201.05592	0.7
201.09045	1.2
223.07521	0.8
227.07115	6.5
251.07147	2.8
254.05913	1.1
255.06421	1.1
267.06732	0.8
268.07520	0.9
269.07986	5.8
279.06613	6.4
282.05264	2.9
283.09692	4.1
292.00650	0.7
293.07916	1.3
296.06830	2.5
297.07593	50.6
298.08505	0.9
299.05630	1.6
299.09219	1.4
305.12509	0.8
311.09125	16.1
312.09732	0.7
313.07175	1.3
314.07849	21.7
314.11288	1.0
316.09705	1.1
327.08722	2.8
329.10193	11.2
331.11954	0.9
356.10614	0.7
374.16040	2.9
491.15543	3.0
536.21301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2283
Annotation	(-)-Asperlicin
Peak:m/z	Relative Intensity
60.96675	0.8
61.68507	0.7
64.87155	0.7
64.91174	0.7
67.05515	0.9
70.41736	0.8
74.39497	0.8
77.83817	0.8
98.54467	0.8
129.97318	0.8
134.85597	0.9
190.08665	1.4
240.44305	1.0
292.09662	11.1
306.07538	1.8
307.08026	1.0
309.66385	0.8
319.08310	3.9
320.09155	100.0
321.09885	29.5
322.10565	17.4
323.11502	0.9
334.10553	6.0
336.12277	72.6
337.12683	15.3
338.13867	4.6
348.24228	0.9
352.08130	1.4
352.15417	3.8
410.12421	0.9
504.19971	4.6
518.21735	1.4
536.22803	70.3
536.32025	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2277
Annotation	(-)-Asperlicin
Peak:m/z	Relative Intensity
50.70326	0.4
54.65440	0.4
69.07190	0.5
118.41929	0.4
122.79653	0.5
126.93610	0.5
132.62685	0.5
147.70464	0.5
245.51727	0.5
278.08044	0.6
292.09683	7.6
299.06070	0.6
306.07703	2.3
308.09106	0.9
319.08221	0.6
320.09167	100.0
321.09915	21.1
334.10767	2.7
336.12286	65.6
352.08286	1.1
352.15610	0.7
504.20120	5.9
518.22424	0.7
536.22815	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2284
Annotation	(-)-Asperlicin
Peak:m/z	Relative Intensity
55.05542	0.6
62.11580	0.7
68.72534	0.6
78.46456	0.7
97.35506	0.7
137.05965	5.5
149.06046	0.8
292.09592	9.4
304.09683	1.1
306.07721	3.2
308.09344	1.2
308.12823	4.1
320.09183	76.5
321.09924	29.7
322.10757	4.0
323.11316	5.9
324.12457	0.9
334.10724	1.1
336.12286	100.0
337.12985	12.1
338.13812	12.5
352.15469	30.5
488.17831	1.5
501.02634	0.8
518.21503	3.8
536.23022	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21468	0.4
51.33862	0.3
53.99048	0.4
54.96801	0.4
57.33406	0.4
61.39420	0.4
62.57905	0.4
67.50404	0.4
110.60138	0.5
128.13301	0.5
147.04417	0.5
157.34792	0.5
180.07487	0.4
273.07617	0.6
292.09647	9.9
304.09656	1.6
306.07614	2.2
320.09140	10.6
321.09958	33.4
322.10638	0.6
323.11496	0.5
334.10822	0.7
336.12292	100.0
338.13782	0.8
431.48254	0.5
536.22833	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42894	0.4
63.70426	0.5
63.78910	0.5
69.30462	0.5
76.18233	0.4
81.07059	0.6
82.17361	0.4
113.00523	0.6
119.04898	0.5
121.10189	0.6
146.67331	0.4
240.02892	0.5
292.09616	11.0
294.11539	0.7
304.09714	2.4
306.07605	3.2
320.09207	13.0
321.09943	36.5
322.10858	1.5
323.11685	0.6
336.12302	100.0
337.12845	1.0
338.13730	3.6
352.15546	2.2
527.88727	0.6
536.22711	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	0.6
62.11580	0.7
68.72534	0.6
78.46456	0.7
97.35506	0.7
137.05965	5.5
149.06046	0.8
292.09592	9.4
304.09683	1.1
306.07721	3.2
308.09344	1.2
308.12823	4.1
320.09183	76.5
321.09924	29.7
322.10757	4.0
323.11316	5.9
324.12457	0.9
334.10724	1.1
336.12286	100.0
337.12985	12.1
338.13812	12.5
352.15469	30.5
488.17831	1.5
501.02634	0.8
518.21503	3.8
536.23022	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2282
Annotation	(-)-Asperlicin
Peak:m/z	Relative Intensity
63.92236	1.1
81.07070	1.7
86.09727	1.5
98.06037	1.2
104.10737	4.4
114.12563	1.1
123.65897	1.0
144.06590	1.5
149.90465	1.1
180.28784	0.9
184.07361	8.2
207.82108	1.2
270.07605	1.2
288.10028	1.4
295.33450	1.1
301.46024	1.2
302.08173	1.2
316.09720	1.7
324.08755	2.1
330.11380	6.2
331.12189	3.8
332.09329	6.5
334.11072	1.7
338.10117	1.7
339.11066	8.1
344.09186	2.3
346.10498	1.7
347.11636	4.3
348.08716	6.1
358.10718	9.2
359.11740	4.5
360.08527	2.1
360.12466	4.9
372.19537	1.7
374.10263	7.2
376.08008	9.9
377.09082	2.2
388.11716	1.6
389.12555	6.6
390.09686	2.1
391.10504	77.4
392.11234	13.6
404.11337	21.6
405.66833	1.4
416.22372	4.4
428.18863	1.3
432.21838	2.0
434.23666	1.5
444.21976	3.9
458.19724	4.3
462.22812	1.3
472.20963	1.6
474.22910	4.3
490.22308	28.0
518.21796	66.1
518.33490	2.5
536.22809	100.0
536.32196	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15581	0.3
72.28339	0.3
75.65348	0.3
84.47302	0.3
154.00177	0.4
154.12239	0.6
187.75516	0.4
230.59399	0.4
243.98189	0.4
290.93130	0.4
292.09659	7.6
294.07019	0.5
304.09579	0.8
306.07529	2.3
320.09186	13.9
321.09946	32.0
322.10019	1.7
323.11411	0.6
324.12299	1.8
336.12299	100.0
337.12714	2.2
338.13690	3.0
352.15393	1.6
536.26605	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15581	0.3
72.28339	0.3
75.65348	0.3
84.47302	0.3
154.00177	0.4
154.12239	0.6
187.75516	0.4
230.59399	0.4
243.98189	0.4
290.93130	0.4
292.09659	7.6
294.07019	0.5
304.09579	0.8
306.07529	2.3
320.09186	13.9
321.09946	32.0
322.10019	1.7
323.11411	0.6
324.12299	1.8
336.12299	100.0
337.12714	2.2
338.13690	3.0
352.15393	1.6
536.26605	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11572	0.4
55.05514	1.8
56.05043	46.6
57.03437	0.9
57.37894	0.3
59.64429	0.4
62.06900	0.3
67.05514	5.3
69.07072	2.8
74.06079	3.5
79.05486	1.7
81.07062	6.0
83.08615	0.9
85.32735	0.4
91.05451	0.6
93.07050	2.6
95.08598	4.3
97.10140	0.5
98.98449	1.0
102.05544	100.0
105.07012	0.5
107.08593	1.7
109.10168	2.8
119.08578	0.6
120.06569	9.0
121.10152	0.8
121.22788	0.4
123.11690	0.6
133.10176	0.9
135.11725	0.7
150.23477	0.5
155.01012	0.4
158.52744	0.4
184.07333	0.5
293.96133	0.4
320.09247	0.5
333.80441	0.5
334.10571	0.6
337.27347	19.3
364.28363	2.6
518.28857	5.2
536.30444	9.0
536.38422	0.7
536.41016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2984
Annotation	(+)-Terpendole A
Peak:m/z	Relative Intensity
55.05519	1.0
56.05046	42.8
57.23493	0.6
57.74588	0.6
59.29288	0.7
62.23474	0.7
67.05511	5.8
69.07083	1.7
74.06103	3.4
79.05514	1.1
79.50206	0.9
81.07062	6.6
83.08611	1.5
91.05508	1.1
93.07014	1.1
95.08611	5.1
97.06495	0.7
97.10142	0.8
102.05547	100.0
104.10706	0.8
105.06991	0.9
106.12904	0.7
109.10168	1.0
112.57959	0.7
118.33488	0.8
119.08582	1.0
120.06606	7.3
121.10141	1.1
133.10112	0.9
158.11127	0.9
184.07304	1.3
211.49770	0.9
245.29486	0.8
252.34059	0.8
334.10840	1.0
337.27341	19.0
364.28238	1.0
518.28815	3.6
536.17786	1.1
536.29291	9.4
536.37830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2983
Annotation	Sulpinine C
Peak:m/z	Relative Intensity
50.83822	0.8
55.05519	1.5
56.05046	46.8
56.20741	0.8
61.96684	0.9
67.05503	5.5
69.07080	1.5
74.06078	3.9
79.05509	1.0
81.07063	8.1
83.08615	0.9
91.05478	1.1
93.06990	1.1
95.08609	3.4
98.98452	1.2
102.05552	100.0
107.08508	0.9
109.10156	3.9
120.06591	7.7
121.10175	1.1
175.56044	1.0
337.27423	21.1
364.28336	1.5
518.28430	6.6
536.30005	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50744	0.8
60.08160	4.4
71.71786	0.7
86.09232	1.2
86.09714	21.9
104.10743	8.1
107.02771	0.8
124.99994	12.5
126.92807	0.9
184.07341	100.0
189.89903	0.9
219.43048	0.8
320.08951	1.3
334.10504	1.8
395.33081	1.0
409.18237	0.9
500.31061	1.0
518.32391	24.9
536.27008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65619	0.5
55.05516	0.8
60.07959	0.6
60.08176	9.4
60.39285	0.6
67.05504	0.8
71.07357	1.1
73.55293	0.7
74.61295	0.7
79.05508	0.8
81.07057	1.4
84.76621	0.7
86.09710	32.6
91.66623	0.7
93.07014	1.0
94.25903	0.8
95.08619	0.8
104.10744	68.1
116.39219	0.8
124.99998	15.5
178.79550	0.9
184.07336	100.0
228.66644	0.8
288.24527	0.7
318.85620	0.8
320.09201	3.8
334.10800	1.7
336.12161	1.3
500.31021	1.7
518.32422	41.7
536.15399	0.9
536.25946	1.0
536.33496	17.6
541.35175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39315	0.7
52.97770	0.6
60.08169	10.3
63.68507	0.6
67.05524	0.9
71.07366	1.4
86.09703	34.7
91.14821	0.7
95.08594	1.3
104.10741	68.6
118.19842	0.8
124.99983	13.5
127.70413	0.8
184.07329	100.0
185.07648	1.4
186.07813	1.0
221.86594	1.0
254.37259	0.7
258.10913	0.9
273.69492	0.7
320.09222	1.2
336.12051	0.9
500.31158	1.6
518.32391	45.1
527.15002	0.8
536.25153	1.2
536.33374	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98114	1.2
51.24092	1.2
58.99852	1.2
60.08168	10.2
64.25550	1.2
68.18716	1.4
85.06512	1.3
85.54576	1.4
86.09712	31.4
93.07051	1.6
95.08608	1.4
104.10751	80.4
112.39728	1.5
124.99994	15.6
125.00776	1.5
174.59277	1.4
184.07338	100.0
318.83179	2.0
368.30618	1.7
518.32465	30.9
536.33716	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49466	0.2
60.00613	0.2
60.08173	5.4
67.05487	0.3
69.36526	0.2
71.07363	0.8
81.07056	0.4
83.08121	0.2
86.09708	22.4
95.08601	0.4
104.10746	6.5
121.10174	0.2
124.99998	11.2
149.13174	0.3
150.75606	0.2
152.48027	0.2
184.07338	100.0
226.44763	0.2
307.08588	0.2
320.09128	4.2
334.10751	0.4
336.12210	0.5
397.03891	0.3
500.31412	1.2
518.32416	23.5
536.33362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
56.05041	1.7
57.07061	2.0
60.04531	3.8
64.92448	1.4
65.20381	1.4
67.05501	10.0
68.05025	4.2
69.03423	8.0
69.07064	3.7
69.83866	1.7
72.04517	18.8
74.06059	3.3
74.67844	1.6
76.03997	6.9
79.05502	3.3
80.04990	2.0
81.03429	6.8
81.07051	12.8
83.08607	4.1
84.04524	2.2
85.02905	3.6
85.45162	1.7
86.06064	4.1
86.09676	1.8
88.03989	19.0
91.05480	2.4
93.07031	9.4
94.06522	2.1
95.08603	9.8
96.04507	2.2
97.02895	20.9
97.10194	2.4
98.06054	3.3
99.04463	2.4
102.05542	10.0
104.10734	7.1
105.07021	2.7
107.08601	4.0
109.10170	10.0
110.06064	2.2
112.03947	3.3
114.05562	15.6
114.06264	2.7
116.03393	2.2
116.07109	2.9
118.05013	31.5
119.08576	3.4
121.06514	1.7
121.10139	9.2
122.06068	2.1
123.07983	1.9
126.05524	8.6
128.07076	2.3
130.05023	3.5
131.11459	1.7
132.06581	4.2
133.10089	3.6
135.11682	2.5
138.05487	11.1
140.07024	2.2
142.04997	39.9
144.06555	34.7
147.11655	2.1
152.07071	2.3
154.05009	3.8
156.06543	11.7
168.06650	3.1
170.04456	4.1
170.08211	2.3
182.08026	1.7
184.05946	3.0
184.07341	8.5
186.66617	2.0
198.07608	2.2
200.05635	2.4
202.07094	9.3
218.10205	1.9
244.08229	2.0
246.09531	2.7
292.09601	6.5
320.09158	3.6
321.09924	19.5
334.27356	2.5
336.12201	45.5
350.26685	2.6
370.81769	2.2
380.27863	3.4
398.29016	39.9
440.29968	11.5
482.31073	7.2
500.32172	63.9
518.33221	100.0
536.24237	25.8
536.33984	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48546	2.3
56.05036	4.3
59.04728	2.4
60.04514	3.0
67.05497	6.1
68.05050	9.9
69.03441	6.0
69.07063	3.5
72.04514	16.0
79.05458	2.8
80.05039	3.0
81.03426	6.5
81.07061	11.3
83.08611	4.4
84.04522	2.6
86.06056	3.3
86.09705	14.3
87.50169	2.5
88.04003	15.2
93.07054	6.1
95.08607	6.6
97.02890	5.1
98.06048	6.4
102.05535	6.3
104.10766	26.0
109.10153	3.4
112.03938	4.6
114.05534	16.3
118.05029	21.0
119.08591	3.9
122.06020	4.0
125.00063	4.6
126.05489	6.6
132.06586	3.1
138.05528	10.4
142.05005	46.5
144.06580	45.5
152.07042	3.0
156.06470	5.1
184.05940	5.3
184.07350	28.2
222.11183	2.7
356.28394	3.6
398.28964	35.7
440.29953	16.2
482.31226	5.8
500.32034	48.1
518.25415	3.9
518.33240	100.0
528.23193	3.7
536.33734	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01068	0.3
55.05500	0.5
56.52505	0.3
57.07077	0.4
60.08168	10.6
64.08629	0.3
67.05500	0.7
69.07063	0.7
71.07388	2.4
71.08607	0.4
81.07058	1.6
81.99093	0.3
83.08633	1.4
86.09708	34.4
95.08610	1.7
97.10182	0.7
104.10747	76.7
109.10176	0.8
121.10128	0.6
124.99994	14.4
163.01530	1.4
184.07336	100.0
353.30499	1.8
518.35895	3.8
536.37109	55.6
537.36139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75070	1.4
55.05511	2.9
55.26418	1.3
57.07075	7.1
60.08172	10.4
60.19969	1.3
64.04618	1.4
67.05487	6.7
69.07068	10.1
71.07374	1.8
71.08630	11.1
81.03401	1.6
81.07062	13.3
83.08620	8.6
85.02876	2.2
85.10168	6.2
86.09707	32.9
93.07049	1.8
95.08576	13.4
97.06505	1.7
97.10169	8.7
101.20110	1.4
104.10749	77.9
106.32441	1.3
107.08590	2.8
109.10146	8.2
111.11747	1.9
121.10141	6.4
123.08086	1.6
123.11697	2.3
125.00005	15.1
127.03935	1.8
135.11667	5.8
149.13243	2.3
162.88120	1.6
165.58467	1.5
167.01137	1.7
184.07338	100.0
187.18109	1.5
221.74533	1.5
300.08124	1.8
334.10617	1.6
401.28796	2.7
409.32990	7.6
426.44601	2.1
427.34088	3.6
501.37689	34.0
518.36023	3.6
536.37128	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29319	0.8
55.52256	0.8
56.86722	0.8
60.08163	4.5
81.07027	1.0
86.09708	24.0
93.06990	1.3
104.10730	4.0
109.10173	1.0
124.99987	8.7
125.09669	1.1
184.07343	100.0
536.37079	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38844	1.5
55.05521	30.2
57.07078	8.6
57.85229	1.5
67.05505	2.6
68.95543	1.4
71.08617	3.5
75.98089	1.4
81.07051	7.5
83.04984	100.0
83.08601	3.7
85.10178	2.8
91.22041	1.6
92.20888	1.8
93.07026	3.1
95.08595	6.4
106.37667	1.6
109.10189	2.4
114.96074	1.7
121.06527	19.9
121.10131	2.4
123.11673	1.9
207.20387	1.8
277.87314	1.9
339.28934	40.5
346.25162	3.7
357.29840	4.1
374.28494	3.5
416.29602	11.3
427.06223	1.9
466.61423	1.9
503.21313	1.9
527.38995	2.0
536.35040	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36028	1.8
53.21404	2.0
55.05518	20.7
57.03439	2.9
57.07078	21.0
67.05503	31.4
69.07066	43.2
71.08628	14.9
72.06401	2.1
79.05488	13.3
81.07064	53.3
83.04989	4.2
83.08629	40.7
85.02873	5.7
85.10173	4.1
93.07041	20.3
95.08607	56.3
97.06507	14.1
97.10178	40.3
98.98851	2.3
107.08593	27.6
109.10149	30.9
111.08083	5.0
111.11731	15.6
121.10144	62.2
123.11693	12.9
125.09704	3.1
135.11697	53.5
139.11140	2.8
149.13269	20.1
151.14859	3.2
153.12787	4.0
163.14868	9.3
191.17952	2.8
220.13280	3.9
247.24210	28.4
265.25278	65.6
283.26346	13.1
339.28925	81.0
357.29953	100.0
360.34479	2.4
536.39313	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3801
Annotation	CHEBI:68080
Peak:m/z	Relative Intensity
54.42257	3.1
57.07073	3.3
60.08155	5.6
67.05521	7.5
69.07069	15.1
81.07066	17.7
83.08616	17.6
85.10152	3.7
86.09710	38.2
90.98101	3.9
91.52844	4.4
95.08608	14.2
97.06516	5.4
97.10200	7.3
97.98103	3.3
104.10743	63.4
109.10155	13.6
121.10152	15.8
124.99984	17.5
135.11658	16.2
184.07349	100.0
212.13103	4.1
265.25180	17.2
282.24982	4.0
339.28906	19.1
357.29904	24.4
401.70453	3.7
536.37128	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73285	0.8
56.05045	5.3
59.94762	0.7
65.84509	0.7
67.05508	4.5
69.07076	2.1
78.19647	0.8
81.07059	1.7
88.35152	0.8
91.05453	1.3
93.07044	1.5
95.08624	1.7
97.10156	1.2
107.08639	0.9
109.10167	8.5
111.11724	1.3
119.08533	1.7
125.17146	0.9
127.63236	0.8
136.11214	3.4
137.09651	3.9
153.13896	3.6
154.12273	100.0
170.11742	1.2
171.14915	14.7
193.76466	0.9
195.18544	1.1
196.16959	24.6
213.19676	4.7
216.06555	1.0
272.20062	3.5
289.22665	7.8
290.21185	4.5
292.09842	1.0
292.21448	0.9
297.74185	0.9
306.20694	1.0
306.25101	1.1
307.23785	32.6
314.24762	2.0
320.09146	5.7
321.09805	4.9
324.22562	1.1
324.26514	3.9
331.27463	5.6
332.25784	1.7
336.12256	18.1
341.24564	1.2
348.25403	1.5
349.28455	23.3
366.26465	3.1
366.30920	1.9
498.73044	1.2
501.37296	1.3
513.69952	1.2
518.21399	1.1
518.39374	4.8
519.37695	1.8
536.25885	6.8
536.40668	31.4
536.67017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73285	0.8
56.05045	5.3
59.94762	0.7
65.84509	0.7
67.05508	4.5
69.07076	2.1
78.19647	0.8
81.07059	1.7
88.35152	0.8
91.05453	1.3
93.07044	1.5
95.08624	1.7
97.10156	1.2
107.08639	0.9
109.10167	8.5
111.11724	1.3
119.08533	1.7
125.17146	0.9
127.63236	0.8
136.11214	3.4
137.09651	3.9
153.13896	3.6
154.12273	100.0
170.11742	1.2
171.14915	14.7
193.76466	0.9
195.18544	1.1
196.16959	24.6
213.19676	4.7
216.06555	1.0
272.20062	3.5
289.22665	7.8
290.21185	4.5
292.09842	1.0
292.21448	0.9
297.74185	0.9
306.20694	1.0
306.25101	1.1
307.23785	32.6
314.24762	2.0
320.09146	5.7
321.09805	4.9
324.22562	1.1
324.26514	3.9
331.27463	5.6
332.25784	1.7
336.12256	18.1
341.24564	1.2
348.25403	1.5
349.28455	23.3
366.26465	3.1
366.30920	1.9
498.73044	1.2
501.37296	1.3
513.69952	1.2
518.21399	1.1
518.39374	4.8
519.37695	1.8
536.25885	6.8
536.40668	31.4
536.67017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81201	0.3
55.05526	0.5
56.05042	6.0
57.23448	0.3
66.27086	0.3
67.05509	3.2
69.07086	3.2
81.07053	1.5
84.08131	0.5
91.05458	1.5
93.07043	2.2
95.08604	1.9
107.08601	0.7
109.10166	9.9
110.09671	0.4
111.08102	0.7
111.11703	1.4
119.08592	2.8
121.10089	0.4
125.09574	0.4
133.10036	0.3
135.08063	0.4
136.11221	4.0
137.09616	3.4
138.12859	0.5
149.13264	0.7
153.13860	4.7
154.12274	100.0
164.10649	0.5
166.15929	1.7
171.14926	16.8
172.13312	0.9
175.10997	0.4
175.70465	0.4
212.16400	0.8
228.21875	0.5
272.20029	5.0
280.22867	0.4
289.22760	10.3
290.21152	4.4
306.25430	2.9
307.23792	47.0
318.07788	0.6
319.08441	0.6
320.09167	4.4
321.09860	0.6
322.10361	0.5
323.11258	0.7
324.26447	7.4
334.10751	1.7
336.12201	3.7
337.13120	0.6
338.13968	1.3
340.11694	0.4
347.26785	0.5
348.25497	3.8
352.15390	0.8
366.26306	3.4
456.24786	0.4
462.18976	0.5
472.17053	0.4
518.39526	4.6
519.37897	0.6
536.23407	5.8
536.40576	27.8
536.67816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.05041	6.2
67.05505	3.4
69.07074	3.1
69.38052	0.3
70.06595	0.4
75.80417	0.3
79.05497	1.4
81.07048	1.7
81.07504	0.3
83.08607	0.6
91.05459	1.5
93.07016	1.4
95.08578	2.5
96.08093	0.5
107.08590	0.7
109.10156	9.9
110.09666	0.5
111.08054	0.7
111.11703	1.5
111.81041	0.3
119.08572	3.2
121.10121	0.5
124.38050	0.3
125.09613	0.4
126.19026	0.3
131.08554	0.5
136.11214	4.3
137.09616	4.1
145.10048	0.3
149.13255	0.7
153.13882	5.8
154.12267	100.0
164.10703	0.5
166.15938	1.6
166.36502	0.3
171.14908	19.7
172.13278	0.8
172.25156	0.4
182.15430	0.6
192.13737	0.6
197.30307	0.3
210.18536	0.5
212.16510	0.7
262.21582	0.6
272.20102	4.6
289.22726	10.5
290.21115	6.4
295.21872	0.4
306.25433	3.4
307.23773	52.6
318.07620	0.4
320.09149	3.6
321.10022	1.3
324.26447	6.9
325.09473	0.4
330.24350	0.4
334.10660	2.2
335.11053	0.5
336.12271	5.3
337.12823	0.7
338.13135	0.4
348.25388	4.4
363.30142	0.7
366.26480	3.1
403.68518	0.4
426.04657	0.5
462.19177	0.5
501.37460	0.4
518.39600	3.4
519.38373	0.7
536.14264	0.6
536.22473	7.1
536.40570	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56615	2.1
55.05518	15.9
57.03431	4.4
57.07092	20.1
60.08181	2.7
67.05516	29.5
68.57595	2.6
69.03416	3.9
69.07072	24.6
71.08623	18.6
77.96708	3.0
79.05501	5.9
80.17029	2.9
81.07054	31.6
82.86454	2.6
83.08616	31.6
85.06582	2.7
85.10183	16.1
86.09714	14.1
93.07037	12.9
95.08616	45.3
97.02852	3.5
97.06529	6.1
97.10191	25.4
104.10764	33.8
107.08554	9.6
109.10180	26.7
110.71067	3.0
111.08086	4.6
111.11721	6.0
115.06464	2.6
121.10174	26.9
122.38280	3.0
123.11730	12.5
123.55766	2.8
124.99951	3.7
125.09661	5.5
135.11708	27.6
139.11182	3.4
149.09372	2.6
149.13293	5.4
153.12766	3.9
163.14790	3.8
167.14293	4.0
184.07338	47.5
187.55869	3.2
201.85876	2.8
258.23630	2.8
265.25232	15.2
289.28796	3.7
335.29355	3.9
339.28925	16.5
357.29883	17.4
371.31351	3.2
409.33469	26.3
427.34250	12.9
446.96793	3.3
501.37839	100.0
536.36975	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34796	0.5
53.73610	0.6
57.48671	0.5
71.47320	0.5
94.53556	0.7
99.04552	0.6
125.83689	0.7
134.57562	0.6
190.04970	13.1
218.04544	1.4
242.11707	0.7
278.08273	0.6
290.11710	10.3
292.06314	0.9
292.09531	1.1
293.10568	4.7
294.11667	0.8
304.09784	0.8
305.10623	0.8
306.07443	1.0
306.85251	0.7
307.08347	3.7
319.08609	0.8
320.09164	4.1
321.09860	4.8
322.10724	50.7
336.12338	9.5
337.13010	16.6
364.11703	0.9
435.13312	1.3
448.10315	1.3
450.12949	1.0
463.13068	3.3
475.12625	1.4
477.14383	1.0
479.12381	1.3
489.10629	1.4
493.13934	9.7
503.12418	0.8
505.13812	3.9
507.11850	5.8
521.13483	12.6
522.14270	4.6
537.16553	100.0
537.36139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34796	0.5
53.73610	0.6
57.48671	0.5
71.47320	0.5
94.53556	0.7
99.04552	0.6
125.83689	0.7
134.57562	0.6
190.04970	13.1
218.04544	1.4
242.11707	0.7
278.08273	0.6
290.11710	10.3
292.06314	0.9
292.09531	1.1
293.10568	4.7
294.11667	0.8
304.09784	0.8
305.10623	0.8
306.07443	1.0
306.85251	0.7
307.08347	3.7
319.08609	0.8
320.09164	4.1
321.09860	4.8
322.10724	50.7
336.12338	9.5
337.13010	16.6
364.11703	0.9
435.13312	1.3
448.10315	1.3
450.12949	1.0
463.13068	3.3
475.12625	1.4
477.14383	1.0
479.12381	1.3
489.10629	1.4
493.13934	9.7
503.12418	0.8
505.13812	3.9
507.11850	5.8
521.13483	12.6
522.14270	4.6
537.16553	100.0
537.36139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95787	0.3
57.16188	0.4
63.17554	0.4
72.08152	1.7
95.96965	0.4
105.89716	0.4
107.13446	0.4
134.93582	0.4
163.87457	0.4
188.07130	0.7
233.75436	0.4
276.06683	0.6
290.08054	9.5
302.08145	3.8
304.06015	9.3
308.08823	0.5
318.07565	14.5
319.08377	53.1
320.09280	0.8
323.11102	0.8
334.10727	100.0
445.12262	0.5
493.17963	0.5
537.16449	19.0
537.22766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06694	0.3
57.34826	0.3
67.34943	0.4
111.12004	0.4
145.68440	0.4
219.53714	0.4
290.08060	9.4
302.08185	2.1
304.06046	7.7
318.07596	10.4
319.08395	43.3
320.09161	1.8
321.09390	0.5
334.10742	100.0
335.11160	0.7
336.12329	1.5
405.17395	0.5
537.20386	16.0
548.02582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77995	0.4
72.06583	0.4
86.00283	0.4
91.92501	0.3
144.59221	0.4
180.37971	0.3
187.89403	0.4
190.04968	0.5
190.95821	0.4
254.89644	0.4
276.06366	0.4
290.08054	9.0
292.09744	0.6
302.08151	1.5
304.06024	7.1
316.09897	0.5
318.07608	9.6
319.08374	43.2
320.09128	1.9
321.09399	0.5
334.10721	100.0
335.10980	0.7
336.12286	0.9
340.54465	0.4
439.26938	0.5
440.02444	0.5
472.93149	0.4
537.20233	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69061	0.2
118.06546	3.1
132.08093	1.9
142.06613	0.3
144.08090	5.5
146.06015	36.4
159.09175	4.0
170.06078	2.0
188.07072	100.0
205.09724	36.7
205.11732	0.6
537.21161	0.6
538.60211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49114	1.4
58.06598	2.3
60.82593	1.7
72.08147	3.0
72.12437	1.5
81.44756	1.6
84.53732	1.6
92.20952	3.2
99.37907	1.9
105.07080	2.6
109.06499	1.8
119.08589	3.9
129.06961	1.9
133.06502	2.8
137.05978	100.0
144.40637	1.9
147.04393	2.1
147.08061	7.3
151.03940	2.9
159.08028	1.8
161.05998	19.4
162.06683	1.7
163.07549	1.9
165.09106	3.3
175.07541	29.3
187.07561	8.3
188.07053	3.7
191.07108	2.0
193.08501	6.0
199.07503	2.9
205.09865	2.1
221.06061	3.3
222.06693	3.0
237.08978	8.6
249.09158	2.0
250.06491	3.1
253.08539	2.4
262.06259	2.0
265.08606	34.3
267.10040	3.6
277.08511	7.0
282.08862	2.7
283.09671	7.2
285.11218	13.1
289.08533	1.8
290.08038	3.3
297.11261	22.6
303.09943	2.7
304.05988	3.6
309.11353	7.9
318.07504	3.8
319.08383	18.9
320.09290	6.8
321.09695	8.2
322.10849	7.8
323.11069	11.1
334.10767	33.7
336.12143	3.1
398.80209	2.2
459.17981	17.9
471.18268	12.6
477.19409	2.9
489.18942	9.8
503.79703	1.9
537.16248	11.5
537.23114	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20277	0.5
74.50067	0.5
95.08563	0.7
104.71770	0.5
109.06512	0.5
111.58636	0.6
121.67469	0.5
292.09653	7.9
304.09528	0.6
306.07581	2.3
320.09161	10.4
321.09943	31.6
329.45303	0.6
336.12274	100.0
337.12552	0.9
349.17096	0.6
416.44583	0.7
537.22174	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20277	0.5
74.50067	0.5
95.08563	0.7
104.71770	0.5
109.06512	0.5
111.58636	0.6
121.67469	0.5
292.09653	7.9
304.09528	0.6
306.07581	2.3
320.09161	10.4
321.09943	31.6
329.45303	0.6
336.12274	100.0
337.12552	0.9
349.17096	0.6
416.44583	0.7
537.22174	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.3
72.08157	100.0
118.06516	1.4
130.06555	1.1
131.42374	0.9
132.08084	3.5
135.99239	0.8
136.07613	8.6
137.05972	3.7
144.08086	4.7
146.06004	29.7
155.13390	0.8
159.09180	18.3
163.07541	0.9
170.05954	1.6
178.08702	1.2
188.07059	84.5
201.09015	1.1
205.09721	46.4
206.08139	5.8
304.16449	1.5
305.14966	1.9
318.07639	1.3
319.08298	6.3
320.09039	6.1
321.09320	3.3
322.10632	1.1
333.14401	7.6
334.10690	11.3
335.11243	1.0
336.12167	1.5
409.42557	1.0
474.80212	1.0
537.15326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2496
Annotation	Okaramine Q
Peak:m/z	Relative Intensity
56.99474	0.3
80.21994	0.3
81.07024	0.3
212.77827	0.5
261.41306	0.4
307.43353	0.3
337.24936	0.4
367.51364	0.4
405.20697	1.9
419.21964	0.7
420.23398	0.4
433.23883	2.2
434.24796	3.7
449.19550	3.4
463.21426	1.8
464.22159	2.4
475.24985	3.0
477.22824	3.2
478.23682	13.5
492.25012	0.4
493.25958	11.9
501.22943	3.3
508.21094	2.2
519.24152	3.5
522.22589	1.6
537.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
57.03443	3.3
57.07085	37.7
66.31231	1.7
66.65609	1.8
67.05495	15.8
69.07075	9.5
71.08630	29.8
72.26246	1.9
77.56931	2.1
79.05473	3.1
81.03416	16.4
81.07070	16.5
83.08622	12.6
85.10185	19.2
92.77490	2.0
93.07045	2.5
95.08628	15.5
97.10172	10.8
98.98473	48.4
99.04465	9.8
106.41714	2.1
109.02863	9.5
109.10175	9.2
117.77191	1.8
123.11668	2.3
125.09578	2.6
127.03896	2.5
155.01027	62.8
170.00723	2.1
177.12671	3.4
189.11290	2.4
227.12746	2.6
238.12367	2.2
245.14085	2.8
260.36212	2.2
313.27380	100.0
349.23843	2.4
352.15378	2.8
362.59579	2.3
393.23953	3.1
429.60962	2.3
537.28094	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
57.03443	3.3
57.07085	37.7
66.31231	1.7
66.65609	1.8
67.05495	15.8
69.07075	9.5
71.08630	29.8
72.26246	1.9
77.56931	2.1
79.05473	3.1
81.03416	16.4
81.07070	16.5
83.08622	12.6
85.10185	19.2
92.77490	2.0
93.07045	2.5
95.08628	15.5
97.10172	10.8
98.98473	48.4
99.04465	9.8
106.41714	2.1
109.02863	9.5
109.10175	9.2
117.77191	1.8
123.11668	2.3
125.09578	2.6
127.03896	2.5
155.01027	62.8
170.00723	2.1
177.12671	3.4
189.11290	2.4
227.12746	2.6
238.12367	2.2
245.14085	2.8
260.36212	2.2
313.27380	100.0
349.23843	2.4
352.15378	2.8
362.59579	2.3
393.23953	3.1
429.60962	2.3
537.28094	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05505	6.0
56.51417	1.2
57.03437	8.0
57.07079	44.0
67.05508	12.8
69.07061	7.3
71.08633	31.0
73.97359	1.7
77.56883	1.6
79.05482	2.3
81.03418	19.8
81.07051	20.1
83.08620	13.7
85.10178	20.4
95.08604	30.7
97.10165	8.5
98.98460	76.0
99.04457	6.2
109.02873	14.5
109.10151	13.2
109.63762	1.3
114.38844	1.4
123.11683	2.4
127.03926	2.2
137.13264	2.0
155.01031	74.7
155.69409	1.7
225.01630	2.4
239.23695	3.5
240.71614	1.6
313.27344	100.0
393.23904	5.7
449.26688	1.7
533.64661	1.8
537.28204	49.7
541.42096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3032
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
59.20034	1.0
70.01669	0.8
81.07090	1.0
89.99813	0.8
107.75065	1.0
112.23689	1.2
150.86682	0.9
161.72955	1.0
183.66299	1.0
267.54434	1.0
268.12958	0.9
270.52130	1.1
283.96719	1.1
341.43036	0.9
387.77560	1.2
537.30347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08265	1.1
58.26470	1.3
59.65454	1.4
77.99759	1.4
79.74303	1.3
95.08607	2.5
99.04443	6.3
106.38125	1.6
107.08558	2.8
109.10201	1.7
190.04962	2.0
191.68298	1.5
446.44022	1.7
537.30359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.8
57.03430	48.6
65.21519	7.6
67.05500	48.7
68.07926	7.0
69.03443	37.0
69.07080	13.8
70.20209	6.8
79.05503	45.0
81.03419	17.9
81.07055	65.2
83.08625	17.9
85.02926	9.1
91.05495	77.5
93.07022	48.4
95.04981	31.0
95.08617	20.8
97.02889	17.3
97.10155	40.5
99.04446	7.9
105.07043	54.9
107.08606	39.9
109.02869	13.8
109.06511	44.0
109.10160	39.4
112.10942	8.5
117.07053	59.8
119.08591	76.3
121.06509	13.6
121.10153	9.9
124.99043	8.1
127.03927	11.4
129.07031	34.4
131.08554	68.9
133.10103	21.0
135.08072	12.5
140.23430	9.2
141.07037	10.9
143.08615	45.1
145.10118	53.9
147.08051	60.1
149.09665	9.3
151.07637	9.1
152.75987	9.0
155.08530	12.6
157.10164	36.4
159.07973	10.2
159.11732	16.8
161.09636	16.6
163.11227	10.2
169.10088	12.7
173.09619	12.3
174.12968	8.8
183.08173	8.0
185.09637	10.7
211.11214	12.6
217.15796	9.8
257.15555	9.1
273.18530	100.0
291.19547	19.7
320.09244	15.5
321.09625	19.4
325.17801	9.6
336.12183	74.4
336.68536	9.5
337.12259	28.8
367.27707	9.9
381.20505	13.8
399.21606	39.0
417.22696	54.8
432.21066	10.0
435.23657	90.2
520.03406	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84671	1.7
53.71828	2.3
55.01881	3.3
55.05513	12.2
57.03432	5.0
57.07077	4.5
67.05511	46.2
69.03415	21.3
69.07066	22.7
71.04982	5.2
71.08630	3.6
79.05493	30.8
79.50854	2.0
81.03427	30.2
81.06616	3.8
81.07061	62.6
81.99050	2.1
83.04992	11.0
83.08614	10.8
85.02914	18.4
85.06570	2.8
87.04470	8.8
91.05477	18.8
92.21511	2.7
93.07047	46.6
95.04995	5.5
95.08604	55.8
97.02901	26.2
97.10168	9.6
99.04440	2.9
105.07040	28.9
107.04976	4.4
107.08603	43.1
109.02863	4.1
109.06543	3.1
109.10149	30.8
111.04444	13.6
115.03925	100.0
117.07009	14.5
119.08575	28.6
121.06510	3.8
121.10149	38.5
123.08082	8.9
123.11718	12.8
127.03927	8.7
129.06995	10.6
131.08585	26.9
133.10112	35.8
135.08015	3.4
135.11690	34.1
137.05965	3.4
143.08546	11.9
145.10117	25.0
147.08051	5.3
147.11702	23.9
149.13266	17.9
155.08517	2.7
157.10101	16.1
159.11699	20.8
161.13239	16.9
163.11163	3.6
163.14856	4.5
169.10112	4.2
171.11708	13.2
173.09592	3.4
173.13223	19.6
175.14803	5.3
177.16411	3.0
183.11630	2.6
185.13261	10.8
187.14792	5.0
191.14227	2.8
197.13214	3.8
216.38640	2.7
243.21080	4.3
259.20453	5.2
261.22070	17.9
273.22098	3.9
277.21588	11.4
279.23224	4.4
285.22028	2.6
289.21622	3.1
291.23123	4.0
303.23102	16.6
315.23334	4.8
341.24680	11.3
345.24020	3.6
351.23230	5.0
359.25812	3.9
369.24149	40.8
387.25262	60.5
401.28897	5.1
405.26334	41.7
423.27454	32.9
537.30133	4.0
537.38947	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82479	1.1
53.03950	8.9
55.01876	1.3
55.05519	10.0
57.03421	1.7
57.07079	1.4
61.67697	1.5
67.05510	13.7
69.03421	8.5
69.07076	5.3
71.04982	2.4
73.02909	7.5
77.17031	1.5
79.05505	14.9
81.03439	20.6
81.07053	15.5
83.08636	2.0
85.02909	22.1
91.05475	12.5
93.07039	16.1
95.04952	2.7
95.08601	12.0
97.02879	6.4
97.10167	1.7
99.04455	100.0
105.07034	19.5
107.08578	11.1
109.02925	2.8
109.06551	2.1
109.10142	6.5
111.04452	5.7
115.03883	2.0
117.07010	8.8
119.08569	15.1
121.06480	1.5
121.10141	9.0
127.03941	3.1
129.07005	7.5
131.08559	16.7
133.10136	18.1
135.08081	1.7
135.11703	7.5
137.06000	1.8
137.09634	1.6
141.05461	3.5
141.06992	2.1
143.08589	7.8
144.68201	1.5
145.06528	1.7
145.10136	17.9
145.70796	1.4
147.07997	1.5
147.11671	15.0
148.67993	1.4
148.82962	1.4
149.09622	2.6
149.13286	1.4
155.08571	6.5
157.10074	10.4
159.11699	13.3
161.09618	3.1
161.13194	3.4
167.08580	1.4
169.10112	2.8
171.07968	2.3
171.11665	8.9
173.13275	9.2
175.14775	1.3
181.10095	1.5
183.11641	3.3
185.09596	1.6
185.13257	6.6
189.12802	2.2
195.11749	2.1
197.13281	2.2
199.11142	2.4
199.14828	1.9
209.13322	2.1
257.19037	1.8
259.20560	8.6
261.22217	1.8
284.57703	1.5
301.21652	5.7
306.21698	1.5
315.28989	1.6
339.23026	3.0
345.67648	1.5
349.21481	7.2
367.22614	14.0
385.23758	7.7
403.25034	1.8
465.26422	18.9
483.27353	38.1
501.28378	31.3
519.29431	15.5
537.30127	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.8
55.01875	1.9
55.05519	3.6
67.05500	13.5
69.03445	4.7
69.07072	4.4
71.05010	2.2
73.02899	3.8
78.59290	1.8
79.05495	12.9
81.03421	16.8
81.07082	17.2
83.04978	4.1
83.08622	3.0
83.98949	1.9
85.02912	23.3
91.05493	10.0
92.21537	2.8
93.07030	23.3
94.82978	1.9
95.04961	3.1
95.08627	15.1
97.02909	3.8
97.10114	2.1
99.04462	100.0
105.07011	15.6
107.08586	16.3
109.02919	2.5
109.06520	4.1
109.10152	3.9
111.04453	2.0
117.07018	14.2
119.08604	18.9
121.10155	4.3
123.11726	2.3
127.03927	4.4
129.06996	4.3
131.08563	19.9
133.10130	21.7
135.08086	2.3
135.11702	9.7
141.05440	2.8
143.08575	8.3
145.10115	19.9
147.11717	19.1
149.13251	3.0
155.08551	4.9
157.10126	10.2
159.09705	2.2
159.11682	13.4
161.13321	2.7
169.10185	8.0
171.11717	8.9
173.13245	9.8
175.11139	2.9
183.11700	4.4
185.09552	3.0
185.13264	4.2
197.13361	4.1
199.14873	3.8
211.11328	2.1
211.14861	2.3
222.41312	2.1
243.08569	2.4
259.20532	11.3
283.20557	2.7
301.21643	3.7
313.21652	3.4
325.21579	3.3
349.21365	4.4
367.22623	13.2
385.23645	4.0
451.02740	2.3
465.26047	16.0
483.27289	39.6
501.28299	36.4
519.29333	15.1
537.30560	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98030	0.4
103.50549	0.5
163.44994	0.6
170.80077	0.5
186.70824	0.5
248.12932	0.5
290.08072	10.7
302.08105	2.3
304.05948	9.0
318.07581	11.6
319.08380	49.9
334.10706	100.0
336.12164	1.2
468.06094	0.6
538.13367	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82822	0.4
66.80150	0.4
67.09865	0.5
71.47894	0.4
86.15472	0.5
94.01288	0.5
96.02511	0.4
104.16828	0.4
145.34856	0.4
152.10664	0.5
162.60307	0.5
165.05528	2.2
172.03926	0.9
190.04990	15.4
218.04506	1.0
235.06375	0.9
263.05835	2.4
264.06647	2.2
265.07358	1.0
276.06473	0.5
277.07297	0.8
282.76385	0.4
290.08127	2.1
291.08658	0.8
292.06064	5.2
292.09198	0.7
293.06796	3.6
303.05185	3.8
304.42981	0.6
305.06958	0.8
306.07547	0.8
308.05658	0.6
318.07620	7.3
318.49390	0.6
320.05551	8.6
320.09232	4.2
321.06232	3.0
321.09869	4.0
331.04736	3.6
332.05649	0.6
335.04263	0.5
336.12292	11.9
346.06998	6.0
348.05151	4.8
349.05777	10.2
350.06638	2.7
364.08136	100.0
365.08673	0.7
382.09119	2.5
445.34567	0.5
520.04718	0.7
520.12329	12.5
538.13245	23.4
538.23962	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43185	0.3
75.32491	0.3
79.82545	0.3
80.21803	0.3
82.34514	0.3
82.74186	0.3
85.02866	0.4
96.38033	0.3
97.52082	0.3
126.22288	0.3
131.04924	1.3
132.05222	0.5
137.04999	0.6
137.05977	12.3
138.06290	1.6
148.60045	0.4
154.38329	0.4
161.05928	0.7
175.07465	5.7
177.05428	1.6
187.07443	2.8
219.08141	0.4
235.09711	0.6
251.10661	2.2
276.06421	0.5
279.10199	0.7
290.08090	14.4
296.10138	0.5
302.04858	0.6
302.07922	4.0
303.08820	0.4
303.22388	0.3
304.06018	12.4
304.09506	0.4
311.12885	2.4
318.03824	0.6
318.07584	16.7
319.08377	68.2
320.08710	0.6
334.10715	100.0
335.10995	1.7
341.13831	0.5
456.70377	0.4
497.52008	0.4
538.13385	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00889	1.3
60.20210	1.4
61.70877	1.2
65.03929	1.9
79.05520	1.7
81.03407	2.3
85.02936	1.6
92.38241	1.6
94.49860	1.4
96.08160	2.2
106.06558	29.1
108.08125	6.9
119.04963	7.4
123.06821	3.7
124.07593	21.4
134.06032	20.7
136.07599	3.0
147.04428	14.1
152.07074	70.1
162.08951	1.7
170.08099	27.5
172.60208	1.5
175.03923	60.9
186.05478	2.0
207.06538	66.5
207.08459	2.6
208.65416	1.4
214.54796	1.7
226.01541	1.6
227.70065	1.6
238.12238	1.7
251.61977	1.6
278.01395	1.6
332.13318	3.0
340.11990	1.8
352.58063	1.7
520.18060	10.3
538.19257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	8.0
81.03416	2.6
92.05024	1.7
96.08136	6.5
96.43378	2.0
106.06564	29.8
108.08115	7.5
119.04952	7.8
123.06828	2.6
124.07581	24.5
124.58226	1.7
134.06020	19.6
147.04410	13.4
152.07066	74.8
170.08118	27.9
175.03883	56.2
207.06519	63.2
412.65686	1.7
520.18030	9.2
538.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.8
64.91716	0.4
65.03930	0.6
69.03428	0.7
79.05492	1.8
81.03431	3.5
85.02905	2.3
91.05476	2.9
92.05008	5.1
93.20770	0.4
95.04955	0.9
96.08142	5.9
106.06557	40.7
108.08121	7.0
109.02872	2.2
109.05229	0.5
119.04935	12.5
123.06808	5.4
124.07586	26.9
134.06012	20.9
136.07587	3.0
137.05943	0.6
147.04411	17.7
152.07062	89.2
152.77715	0.5
153.07864	0.5
157.03986	1.0
167.07034	0.7
170.08113	32.1
170.09558	1.1
175.03894	65.9
181.04936	0.9
186.05524	2.2
205.23792	0.5
207.06514	80.4
252.10240	0.9
280.09692	0.8
298.10715	0.6
308.09396	0.7
312.12341	2.5
314.12332	2.3
328.09686	0.5
332.13379	3.7
340.11859	3.0
351.10596	0.9
358.12744	1.1
369.11581	0.8
520.05664	0.5
520.18079	9.3
531.19678	0.6
538.19165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.3
62.98413	1.4
65.03950	1.9
68.58228	1.6
71.23233	1.5
81.03417	6.6
85.02895	2.2
91.80152	1.6
92.05012	2.3
96.08128	2.8
99.04484	2.3
106.06560	33.0
108.08093	10.1
109.02929	1.6
119.04965	10.0
123.06805	8.0
124.07604	24.4
127.75457	1.9
134.06018	16.9
147.04402	13.7
152.05847	3.1
152.07069	76.4
170.08102	26.8
175.03897	66.1
175.05466	2.3
207.06528	77.5
369.11621	2.0
520.18134	11.7
538.19147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85945	1.3
53.19518	1.1
58.77735	1.3
79.05470	1.5
91.05434	2.1
92.05019	1.5
96.08138	3.5
106.06567	31.1
108.08092	6.0
119.04930	9.4
123.06834	2.4
124.07576	22.0
127.76453	1.3
134.06012	15.2
147.04405	14.5
152.07074	73.5
170.08115	26.2
175.03906	56.3
186.05511	1.9
192.85376	1.4
207.06544	72.3
312.12497	1.6
320.81729	1.7
332.13443	2.6
340.11664	2.8
369.11887	1.6
520.17719	10.4
538.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92113	0.9
54.43273	0.9
58.06607	1.1
60.45660	1.0
80.68674	1.0
84.08140	1.9
85.02917	5.7
86.09730	1.6
90.57850	1.1
97.02903	4.5
107.04956	1.1
109.02843	1.2
124.03945	1.4
127.03880	1.8
131.04951	1.1
137.05989	25.3
137.06955	1.8
137.35307	1.0
143.97684	1.0
145.05055	1.3
147.04413	1.5
147.07477	1.2
148.04887	1.0
149.06030	2.6
150.99832	1.1
151.07629	2.3
161.13225	1.7
162.05579	1.4
164.07076	2.5
166.05084	1.2
167.07016	25.3
179.07030	16.3
179.08406	1.3
192.06567	1.1
207.08167	5.6
214.07198	4.2
232.08498	1.2
235.07472	19.2
249.05563	1.7
251.07097	2.1
252.07907	2.0
253.08690	6.8
262.06329	10.2
263.07010	32.9
266.05780	2.5
267.10162	1.5
277.08414	1.6
279.06607	5.8
279.09210	2.1
280.07257	7.0
280.09930	4.9
281.08060	23.6
281.10638	1.4
282.08612	1.5
290.05847	7.2
291.06680	4.8
294.05008	1.9
294.07819	4.7
295.09732	7.0
297.07816	1.5
298.08426	2.6
307.08502	6.4
308.06467	19.1
308.09796	2.4
309.07349	14.5
310.07980	1.4
313.10666	16.1
323.08945	48.8
325.09515	8.8
326.07819	11.8
329.10022	1.6
330.13510	5.7
340.11829	17.4
341.10025	41.7
358.08292	1.9
358.12805	53.8
364.12830	10.6
365.43823	1.3
376.13586	2.0
423.12045	1.7
520.18164	7.9
538.19342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99450	1.2
66.93993	1.1
75.40948	1.2
85.02920	6.5
86.59824	1.2
93.80815	1.2
99.04478	1.5
101.87657	1.3
109.02873	1.5
127.03901	2.2
137.05962	23.3
145.04921	1.8
147.04404	1.8
149.05937	1.9
154.62215	1.3
161.13249	1.4
162.05574	2.4
164.07025	2.1
167.07040	21.4
176.07001	1.6
179.07059	17.1
181.05006	2.1
207.08139	3.1
234.06700	1.7
235.07510	17.2
251.07063	1.8
252.07704	2.8
253.08604	8.8
262.06302	12.6
262.08670	1.8
263.06958	35.3
263.09222	2.4
265.04800	1.9
267.10101	1.9
278.10168	2.6
279.06412	2.3
280.07254	8.6
280.09845	8.3
281.08035	23.3
290.05975	2.9
291.06644	5.9
294.05011	2.5
294.07892	2.2
295.09714	6.5
298.08270	4.6
304.09760	1.3
307.08533	2.3
308.06522	18.4
308.09824	1.9
309.07318	14.3
310.07309	1.5
313.10757	16.1
323.08884	45.4
325.09595	9.9
326.07816	15.4
329.10016	1.8
330.13416	2.8
340.11807	15.9
341.10046	38.5
358.12817	59.4
520.18152	8.9
535.21637	1.5
538.19153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45525	1.0
64.16878	1.2
66.52169	1.1
66.78913	1.2
78.79071	1.1
81.07092	1.4
94.48227	1.2
112.33863	1.1
126.52753	1.2
133.09915	1.2
137.06009	2.4
275.10013	1.3
290.08075	1.7
319.08328	2.6
320.09067	10.3
321.09845	12.7
322.10806	2.4
323.11313	1.7
333.09720	1.7
334.10648	5.3
336.12311	39.6
338.13818	12.0
346.10654	2.7
348.12271	1.9
359.11584	1.4
361.13129	3.0
362.10214	11.4
363.10992	10.1
364.11935	1.6
376.11707	24.4
377.12576	6.7
388.11572	2.8
397.16702	1.5
399.18314	2.8
400.15317	2.0
402.12845	2.0
414.17081	1.8
415.17755	2.9
418.19958	5.3
428.18668	15.7
430.20255	21.5
431.17365	8.8
441.15790	2.1
446.19653	35.4
456.18118	12.9
474.12576	2.2
474.19162	57.7
492.20172	100.0
510.20938	2.7
514.16711	2.0
520.19647	43.2
538.16486	9.0
538.24310	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24791	1.3
70.70567	1.4
71.08640	2.6
81.25819	1.3
91.05479	10.5
92.09238	1.6
93.07055	1.6
93.58611	1.4
97.58377	1.5
98.98479	2.8
105.25864	1.7
105.99434	1.6
109.10147	2.0
116.53707	1.4
119.04962	10.7
121.70963	1.7
124.08311	1.7
137.06032	3.1
149.05984	58.3
149.07207	1.9
152.63939	1.6
155.01045	8.1
166.05092	2.4
182.27969	1.9
231.76112	1.6
248.34108	1.7
321.10101	2.2
324.08850	6.8
336.08694	2.0
338.10208	39.2
339.11075	19.2
349.09698	2.3
362.10260	5.8
364.11987	3.5
366.09485	16.2
391.10602	3.9
392.11414	2.8
393.08075	2.7
394.24350	2.1
408.10782	31.5
409.11551	46.4
422.12225	43.0
440.13336	18.9
461.17996	2.1
506.18213	30.0
538.20740	100.0
538.29034	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	29.9
63.79441	0.7
70.06603	1.1
99.04454	4.1
175.03905	1.3
192.10172	15.7
207.06523	3.9
233.91087	0.8
237.09084	1.2
242.17908	0.9
323.10422	0.9
327.10196	1.9
337.08749	3.2
339.10187	4.9
340.50485	0.8
341.11954	0.9
343.09747	1.5
347.97174	0.8
354.08746	5.8
355.09564	12.9
357.11249	1.7
359.12799	1.2
365.08044	2.0
367.09732	4.5
369.11493	6.6
371.09113	1.9
372.09790	3.6
373.10876	0.9
379.09766	1.8
382.08267	4.6
383.08954	4.1
384.09808	1.0
385.10721	1.9
386.11209	1.1
387.12219	7.8
397.10690	9.9
398.11575	1.4
399.12131	1.7
400.09174	1.1
415.11600	6.3
433.12631	1.5
447.14728	1.7
461.12021	7.7
478.12326	6.4
493.14624	6.3
538.20654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52689	0.9
57.03451	1.3
59.56958	0.9
61.02931	1.0
68.22190	1.0
69.03427	6.6
73.02924	1.8
81.03433	1.4
85.02907	27.4
86.09653	1.0
97.02890	5.5
98.52583	1.2
99.04443	2.1
103.03996	1.3
109.02892	5.1
109.73911	1.2
112.39838	1.1
113.02821	1.0
127.03902	9.3
137.05981	100.0
145.04956	2.4
147.04431	1.1
151.07547	15.7
161.05933	1.2
162.05482	1.4
163.07555	1.3
164.07054	1.3
167.07051	8.1
175.07571	6.1
175.73831	1.0
179.07028	81.9
185.79236	1.0
191.07048	1.7
203.07253	1.6
209.08110	5.1
217.08575	1.6
220.61819	1.3
221.08122	1.2
235.07504	7.0
239.09143	1.9
245.08218	1.6
259.09683	1.3
262.06256	1.3
263.06903	11.1
263.09164	2.3
280.07217	1.6
281.08163	7.3
295.09393	1.1
305.10266	2.3
308.06769	7.0
309.07529	1.6
313.10483	1.9
323.08301	2.9
323.11777	28.1
326.07782	5.0
340.11880	1.8
341.09955	7.8
341.12442	10.3
358.12897	18.9
418.15793	1.2
453.60071	1.2
471.75797	1.3
473.77176	1.1
520.17963	4.7
538.19031	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89135	0.7
53.03964	0.7
60.63452	0.6
61.02930	1.3
64.84611	0.6
69.03421	4.6
72.62114	0.7
78.00522	0.6
81.03417	2.9
84.88374	0.8
85.02901	20.0
94.01859	0.7
94.14773	0.7
97.02895	7.9
99.04440	1.7
103.03934	1.1
109.02895	3.7
127.03911	8.2
137.05977	100.0
145.04912	1.4
151.07529	16.1
161.05949	2.8
162.05496	1.3
163.03932	1.4
167.07054	5.1
175.07523	4.4
179.07019	78.5
191.06992	2.7
203.06979	3.2
209.08118	3.2
217.08629	1.5
221.08046	1.0
235.07466	0.9
239.09105	1.4
244.15248	0.8
245.08128	1.6
262.06302	1.0
263.06821	1.5
263.09311	3.0
277.10742	1.4
278.10193	4.7
281.08102	2.8
287.08972	1.5
305.10208	4.6
308.06750	2.7
309.07520	1.4
313.10815	2.6
323.11386	36.4
326.07791	1.1
340.11707	1.6
341.12860	11.2
358.12894	6.2
370.91385	0.8
376.13635	0.9
434.24918	0.7
485.15994	1.3
520.17871	3.6
538.18781	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.7
57.98374	0.7
61.02920	0.7
61.68737	0.7
61.94687	0.8
69.03425	5.2
70.06589	0.7
73.33672	0.7
81.03415	1.6
84.34842	0.8
85.02908	21.5
97.02902	6.0
99.04447	4.8
103.03983	0.7
109.02892	3.8
122.06102	0.8
127.03942	9.7
137.05977	100.0
138.02409	0.7
143.04959	1.1
145.04955	1.8
147.04411	0.8
151.07544	9.6
161.05965	1.4
164.07059	4.1
167.06937	2.8
175.07570	1.5
179.07028	80.1
187.05901	1.2
191.06960	1.1
192.45018	0.7
197.08032	0.9
209.08093	1.1
214.07037	0.9
221.08237	1.1
235.07524	0.8
239.09151	1.5
245.07945	1.3
263.06946	3.1
263.09378	1.4
281.07974	1.8
287.09235	1.5
305.10223	1.6
308.06619	3.1
309.07596	0.9
313.10797	1.5
323.11572	25.8
340.11819	3.2
341.12964	10.2
349.97330	0.9
358.12726	7.1
376.13785	9.6
433.98529	0.9
480.62036	0.9
520.18243	4.2
538.19611	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21708	0.3
67.11474	0.3
97.40485	0.3
115.71481	0.3
158.76776	0.3
177.96199	0.4
276.06934	0.4
290.08014	3.7
302.08099	0.8
304.05927	3.6
318.07602	4.8
319.08389	34.0
334.10733	100.0
335.11057	0.5
336.12448	0.4
425.28635	0.4
538.22272	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42050	0.4
60.60039	0.5
92.20921	0.5
92.32983	0.4
108.81783	0.5
134.49045	0.4
190.04854	0.9
201.79907	0.6
290.08093	4.4
298.12592	0.5
302.07986	1.1
304.05994	3.5
318.07593	7.3
319.08389	35.2
320.08832	0.6
322.10760	2.4
323.11017	2.8
329.01654	0.5
334.10727	100.0
336.12140	0.7
337.12900	0.7
338.13492	2.0
440.12552	0.5
538.22632	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82246	0.7
60.32359	0.7
63.37042	0.6
69.73913	0.7
84.50884	0.9
85.02899	3.4
86.92693	0.7
95.79939	0.7
97.02903	1.5
109.02834	0.9
116.12664	0.9
120.35961	0.8
127.03964	1.0
129.06995	4.5
131.08617	2.8
137.05971	3.2
137.34666	0.7
141.06975	1.6
149.05965	1.0
151.03879	1.5
157.06511	11.1
159.08031	4.8
160.04358	0.8
161.06021	1.0
164.72662	0.8
168.07112	0.9
169.06496	3.5
173.06003	1.3
187.07544	26.9
189.09143	4.0
193.94753	0.9
199.07509	8.8
207.06331	0.9
217.08600	100.0
235.09668	1.4
308.09009	1.0
320.08969	1.5
336.12399	3.0
464.62775	0.9
474.91812	0.9
538.21124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67293	0.4
55.01876	0.7
61.02934	1.0
69.03426	3.0
70.28102	0.5
73.02914	0.5
81.03413	2.2
85.02908	13.4
87.04453	0.5
91.05486	0.5
94.04176	0.6
97.02892	4.7
103.05466	1.0
105.07065	0.6
109.06506	1.1
115.05420	1.1
119.08540	0.8
122.03664	1.0
125.05992	1.0
127.03899	1.7
128.06192	0.5
129.06981	3.2
131.04918	7.7
133.06480	0.8
137.05977	92.7
138.06306	2.2
143.04915	9.1
145.04997	3.3
145.06441	0.9
147.08052	1.1
149.05934	1.1
151.07523	1.1
153.05467	2.5
157.06528	5.3
160.05182	8.9
161.05971	5.0
163.07526	8.6
165.05577	0.5
167.07098	0.5
175.07532	100.0
185.05965	0.5
187.07535	28.3
189.09090	8.2
193.08627	1.1
199.07523	2.5
205.08607	11.6
211.07500	0.9
217.08598	2.9
219.08105	0.8
231.08023	2.3
235.09644	24.7
239.07021	2.2
247.07452	1.8
251.10675	3.5
259.07526	2.1
261.09052	0.7
263.10593	3.0
270.08841	2.2
271.09662	0.9
276.07840	0.7
279.10254	4.4
283.09616	0.6
290.08112	1.0
291.10074	6.3
308.10150	0.6
311.12726	7.2
318.07626	1.1
319.08356	6.7
321.09918	0.9
323.12823	8.0
325.14307	1.0
334.10730	12.4
336.12277	13.0
341.13849	11.4
389.00214	0.5
503.18695	0.7
538.13440	5.8
538.20734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74503	0.6
54.74031	0.5
55.05502	0.5
56.42938	0.5
58.06606	91.7
62.15661	0.5
67.92072	0.5
69.95608	0.5
70.06605	1.0
84.04457	0.6
85.33219	0.6
86.09686	0.6
87.04426	0.7
96.93171	0.5
98.06065	0.7
99.04440	0.7
104.07065	0.7
116.07082	0.8
119.05024	0.6
137.05988	5.1
137.06927	0.6
147.04448	2.8
151.58778	0.6
168.76085	0.7
191.08670	3.5
205.06491	1.0
207.08044	2.5
209.09689	1.3
219.08072	4.3
222.06859	3.7
235.07596	2.5
237.09097	10.6
247.07648	1.2
251.10513	1.1
255.10080	1.2
265.08566	44.6
266.09457	1.1
267.10287	0.8
269.11838	1.0
279.10281	2.4
282.08820	15.2
282.11481	0.8
284.10532	0.8
289.08768	1.1
291.10428	1.2
296.10410	1.5
297.11191	26.6
297.14578	0.9
299.12869	3.3
311.13110	0.7
341.10272	0.8
342.16940	4.6
379.83115	0.6
382.12109	0.7
397.10638	1.5
398.36191	0.7
412.12616	1.9
413.13535	0.7
419.71021	0.7
439.34979	0.6
456.96268	0.7
538.24408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74503	0.6
54.74031	0.5
55.05502	0.5
56.42938	0.5
58.06606	91.7
62.15661	0.5
67.92072	0.5
69.95608	0.5
70.06605	1.0
84.04457	0.6
85.33219	0.6
86.09686	0.6
87.04426	0.7
96.93171	0.5
98.06065	0.7
99.04440	0.7
104.07065	0.7
116.07082	0.8
119.05024	0.6
137.05988	5.1
137.06927	0.6
147.04448	2.8
151.58778	0.6
168.76085	0.7
191.08670	3.5
205.06491	1.0
207.08044	2.5
209.09689	1.3
219.08072	4.3
222.06859	3.7
235.07596	2.5
237.09097	10.6
247.07648	1.2
251.10513	1.1
255.10080	1.2
265.08566	44.6
266.09457	1.1
267.10287	0.8
269.11838	1.0
279.10281	2.4
282.08820	15.2
282.11481	0.8
284.10532	0.8
289.08768	1.1
291.10428	1.2
296.10410	1.5
297.11191	26.6
297.14578	0.9
299.12869	3.3
311.13110	0.7
341.10272	0.8
342.16940	4.6
379.83115	0.6
382.12109	0.7
397.10638	1.5
398.36191	0.7
412.12616	1.9
413.13535	0.7
419.71021	0.7
439.34979	0.6
456.96268	0.7
538.24408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03378	0.8
58.06607	46.6
71.46098	1.0
85.71101	1.0
91.05463	1.8
96.63819	1.0
119.04939	18.1
124.97909	1.1
130.31973	1.1
137.05977	64.7
147.04404	45.4
151.07626	1.9
175.03938	6.1
179.07076	12.6
192.10173	4.4
207.06488	8.2
237.09050	2.2
265.08591	14.3
282.08792	11.7
297.11206	13.7
298.61725	1.4
338.28656	1.1
342.16953	7.8
344.62701	1.2
355.09943	1.4
361.74542	1.1
369.11322	2.6
387.12347	2.0
397.10419	1.9
401.13791	7.4
461.12421	1.7
493.18576	1.8
499.15778	1.1
538.24689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90619	0.8
58.06607	81.9
69.15256	0.9
70.06607	1.2
75.97478	0.9
85.02928	1.1
86.59132	0.8
91.05460	1.2
99.04469	1.3
119.04940	1.4
121.10065	1.0
137.05995	7.3
147.04437	7.4
151.07576	1.5
152.07050	1.0
153.05504	1.3
164.07173	1.3
175.03937	1.9
177.05531	2.4
207.06575	4.1
209.59219	1.1
219.08025	4.0
221.09566	1.1
221.93541	1.1
222.06772	1.1
225.68642	1.0
237.09160	6.8
265.08585	26.1
267.07089	1.0
267.10184	3.8
269.11880	1.7
277.08533	1.6
279.10129	1.9
281.07962	1.2
282.08746	9.5
293.11920	1.6
295.09723	2.2
297.11237	16.5
342.17090	1.9
538.24414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	60.8
62.32533	0.6
83.51730	0.7
87.93200	0.7
100.82388	0.8
101.24257	0.8
108.34032	0.7
123.58990	0.7
137.05962	11.4
142.44264	0.7
191.08511	1.0
207.08212	0.9
208.09773	1.1
209.09624	1.2
219.08113	2.9
222.06808	0.9
233.06030	1.5
235.07510	1.3
237.09065	8.6
247.07487	1.2
263.10764	1.0
265.08585	29.6
265.11417	1.0
266.09528	1.0
269.11746	1.0
277.08804	0.8
279.10175	1.2
282.08871	10.2
289.08688	3.2
291.10223	4.7
296.10651	1.7
297.11200	20.0
299.12811	1.2
309.11304	1.0
319.09637	1.0
321.11349	1.1
323.12701	1.1
342.16943	3.6
381.10437	0.8
383.12933	1.2
397.10782	3.2
412.12906	6.5
413.13770	1.3
474.71075	0.8
475.17737	1.1
493.18573	1.2
538.24420	100.0
560.07574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89616	0.8
120.08070	1.1
124.97775	0.9
128.92021	0.8
131.04930	2.0
140.11095	1.0
149.05974	10.3
161.06027	3.8
176.07062	90.8
178.08640	8.7
211.71130	0.9
247.09688	3.6
267.14066	1.2
281.15500	2.0
292.09671	4.0
295.13202	1.1
296.14108	4.5
309.14984	1.4
320.09070	7.1
321.09924	24.5
322.10135	1.2
323.10828	1.0
323.25867	1.1
327.15991	2.2
336.12296	84.4
337.13257	4.8
338.13248	1.5
341.26645	2.0
520.23206	5.6
538.24335	100.0
539.65082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96842	0.4
62.50719	0.4
66.66295	0.4
68.58421	0.5
84.80697	0.5
84.98340	0.4
114.55830	0.4
120.92656	0.5
137.76120	0.5
159.49011	0.5
290.07993	5.2
302.08191	2.0
304.05978	5.0
318.07599	5.8
319.08383	36.1
320.09042	0.7
334.10718	100.0
417.96722	0.6
538.29553	18.3
538.38318	0.9
538.40942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94999	0.5
75.86480	0.5
80.47276	0.5
82.17083	0.5
91.05503	3.9
93.07050	8.1
95.04965	2.2
103.05460	5.0
108.53349	0.5
121.06499	100.0
146.06067	0.7
158.09659	0.5
183.88646	0.6
208.94450	0.6
273.52350	0.6
321.09799	1.0
322.10300	0.8
334.10690	0.7
336.12286	3.8
337.12711	2.0
354.24310	2.8
364.22803	0.8
374.10294	0.6
382.23840	10.5
400.24768	19.5
418.25735	6.6
422.33173	0.7
538.24036	2.9
538.31635	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3502
Annotation	CHEBI:132285
Peak:m/z	Relative Intensity
53.56522	1.3
55.05166	1.2
60.08181	10.0
63.07666	1.3
67.05505	1.6
69.92780	1.2
71.07355	1.8
74.02033	1.3
76.04121	1.4
81.07053	1.8
86.09711	32.8
95.01208	1.2
95.08591	1.3
104.10747	80.8
124.99971	13.2
160.33018	1.4
165.55840	1.4
184.07335	100.0
320.09030	2.0
502.33096	2.7
520.34009	48.9
538.34430	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3502
Annotation	CHEBI:132285
Peak:m/z	Relative Intensity
56.32326	0.3
56.99055	0.3
58.06594	0.4
60.07920	0.3
60.08166	4.3
67.05484	0.3
71.07355	0.7
86.09705	21.7
92.07748	0.4
101.98093	0.4
102.90553	0.4
104.10756	5.6
113.04758	0.4
124.99998	10.6
150.55299	0.4
152.98129	0.4
184.07332	100.0
320.09143	0.6
334.10583	0.5
502.32986	0.5
520.34003	18.9
538.27917	0.7
538.34869	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.5
57.07081	1.6
67.05509	16.8
69.07066	13.4
71.05007	1.1
79.05494	40.6
81.07061	18.4
83.08613	6.1
85.06523	1.3
91.05463	9.9
92.21468	1.6
93.07042	62.2
95.04961	2.2
95.08608	16.7
96.83432	1.0
97.06519	1.7
97.10168	5.2
99.60480	1.0
105.06991	8.5
107.08600	39.9
109.06486	1.2
109.10162	12.5
111.04442	1.9
111.08127	1.1
117.07040	2.1
119.08585	9.4
121.10146	31.9
123.11727	2.5
129.06999	1.8
131.08534	3.9
133.10124	14.6
135.08147	1.1
135.11699	36.5
143.08598	1.2
145.10097	3.8
147.11696	7.9
149.09546	1.2
149.13268	13.3
157.10118	1.5
159.11684	1.5
161.13211	2.4
163.11171	4.2
163.14751	1.8
171.11670	2.4
181.12259	1.7
185.13243	2.2
191.10741	1.3
209.11865	1.5
221.15187	1.1
227.12776	8.9
241.19534	1.3
245.13823	1.6
277.21606	100.0
538.39325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.3
57.07073	2.7
65.88374	1.5
67.05508	18.6
69.07060	10.6
71.03049	1.7
74.70747	1.8
75.99811	1.8
78.47974	1.7
79.05497	31.6
81.07048	18.0
83.04980	2.2
83.08631	8.0
91.05472	10.2
92.07922	1.8
93.07044	61.0
94.43342	1.6
95.04971	2.1
95.08604	16.2
97.10196	3.0
105.07036	7.7
107.08600	40.7
109.10154	10.9
113.24613	1.7
119.08567	9.1
121.10142	35.0
131.08551	2.2
133.10117	13.2
135.11705	36.4
145.10139	2.2
147.11668	6.6
149.13245	13.9
161.13278	2.3
163.14865	2.8
171.11719	2.6
173.13274	2.3
181.12300	2.7
185.13284	2.6
191.10625	2.4
227.12714	7.6
277.21600	100.0
279.77402	2.2
350.21710	1.9
397.72229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.4
58.98603	0.4
59.11913	0.4
60.08166	4.9
71.07385	0.6
81.07079	0.7
86.09708	23.6
95.08607	0.8
96.97365	0.4
100.82642	0.4
104.10754	6.8
109.10181	0.5
124.99998	12.8
129.84702	0.5
138.75421	0.5
184.07339	100.0
289.55740	0.5
334.10953	0.7
341.84274	0.5
520.37531	2.0
538.38605	20.2
553.21326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	1.7
60.08178	12.9
71.07384	2.3
71.08617	2.0
86.09705	36.3
95.08600	2.1
104.10741	74.4
110.50180	1.4
110.76515	1.9
125.00020	14.9
184.07329	100.0
222.97227	1.5
242.54262	1.4
266.08704	1.7
434.17096	1.7
520.37811	3.7
538.38672	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
57.03442	3.1
57.06826	4.2
57.07084	77.9
61.02922	2.6
67.05517	26.3
69.03432	3.5
69.07064	13.4
71.08632	72.6
75.04471	3.4
81.07053	37.5
83.08632	31.0
85.02910	16.6
85.06519	2.6
85.10178	57.3
88.95839	2.2
95.08607	72.7
97.02886	4.2
97.10162	27.9
99.11735	4.2
109.02883	4.6
109.10166	45.6
111.11712	9.8
117.21143	2.6
123.11709	16.0
125.13300	2.8
127.03918	2.4
136.71733	2.2
137.13226	4.7
170.22176	2.5
184.07339	3.5
191.21257	2.4
208.99144	2.7
220.13394	3.4
236.07245	2.4
267.26834	26.9
285.28018	2.8
310.73599	2.4
334.10568	3.2
341.30493	100.0
359.31531	72.2
371.09103	2.9
405.73633	2.7
411.30969	11.9
421.23752	4.7
429.32031	61.6
538.29047	2.8
538.40442	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07081	3.0
70.06593	68.2
76.14022	0.7
86.09705	72.1
115.08685	27.7
115.09480	1.5
128.10757	0.7
131.42976	0.7
138.12825	1.2
142.08652	1.0
170.19019	32.7
183.14932	6.0
199.18054	20.1
222.22151	1.6
227.17513	8.6
237.48946	0.8
238.25310	5.1
266.25900	1.9
267.24261	18.1
283.27341	7.7
284.27023	3.0
294.25497	7.5
295.23825	4.2
311.26910	3.4
357.72726	0.8
362.31696	1.8
390.31149	3.3
397.35468	4.3
407.33740	1.7
408.32178	4.8
424.35339	6.0
510.44003	3.8
538.43250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.137
Annotation	Sibiricaxanthone A
Peak:m/z	Relative Intensity
61.96169	0.7
69.77905	0.7
70.51376	0.9
74.84506	0.7
84.04507	0.8
90.86259	0.7
135.60054	0.8
149.37373	0.8
183.61137	0.7
514.07837	0.8
539.13696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03774	0.8
61.66155	1.0
73.73011	1.0
82.99853	1.3
84.55705	1.0
87.33731	0.9
101.00866	4.4
111.61364	1.0
119.01907	8.6
121.02865	1.4
131.01932	1.4
135.68103	1.2
140.08910	1.1
143.01894	22.2
145.03450	5.2
155.01883	14.8
157.03458	1.6
161.02954	15.9
165.29384	1.1
167.01895	9.4
169.03453	2.0
171.05009	1.3
173.02922	15.6
179.01910	2.2
181.03412	1.0
185.02942	47.0
187.04491	5.3
195.05084	4.9
197.02962	15.1
203.02046	3.7
203.04034	9.2
209.03098	2.3
215.01820	1.6
215.03934	14.3
221.02998	6.1
227.03990	15.2
239.04008	13.7
245.05042	100.0
257.04971	24.8
263.06134	14.4
269.05145	2.5
275.06085	52.7
281.05066	4.9
287.06119	9.7
293.07199	1.7
299.06067	4.7
300.56348	1.1
305.07178	15.6
317.07193	17.1
335.08160	5.6
347.08188	6.6
359.08261	5.4
365.04703	1.5
365.09198	11.1
377.09171	6.0
419.10318	5.8
539.14575	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74969	0.3
55.03845	0.3
66.01573	0.3
73.44802	0.4
82.35786	0.4
89.54574	0.4
91.27058	0.4
105.41098	0.4
112.89307	0.4
130.67151	0.5
137.05962	0.5
244.30260	0.5
292.09637	9.2
304.09747	1.8
306.07565	3.3
319.08469	0.5
320.09198	10.2
321.09930	29.4
334.10602	0.9
336.12277	100.0
337.12640	1.7
341.19147	0.4
358.84070	0.5
539.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2651
Annotation	Okaramine O
Peak:m/z	Relative Intensity
52.94673	0.4
52.94943	0.3
97.20370	0.5
263.86755	0.5
393.20807	3.4
407.22327	4.3
421.23993	3.8
422.24945	0.7
423.18048	2.7
428.39575	0.5
437.19757	6.6
438.20349	0.9
448.22421	1.0
451.21295	13.3
465.22690	2.5
466.23679	3.6
477.26489	5.6
493.25323	0.7
494.26575	0.7
495.27649	10.0
503.24332	2.7
510.22504	6.6
521.25482	3.8
524.05872	0.6
524.24139	1.9
539.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64776	1.2
55.01881	2.4
55.05515	2.5
57.03434	7.5
57.07084	25.9
59.00241	1.0
62.55779	1.1
62.63295	1.1
63.71043	1.1
64.35085	1.2
64.36549	1.1
67.05503	8.4
69.03429	15.6
69.07071	8.0
69.54028	1.3
71.05019	1.8
71.08626	17.7
73.02927	19.7
77.71597	1.3
79.05480	1.6
79.91235	1.4
81.03435	7.0
81.07057	12.1
83.01281	1.5
83.04996	2.7
83.08624	7.6
85.02914	11.2
85.10197	12.3
92.56634	1.5
93.07014	1.7
95.08586	17.1
97.02881	2.9
97.10161	6.9
99.04436	8.5
107.08608	1.5
109.02881	26.5
109.10161	9.2
111.04445	22.7
123.11696	2.2
127.03935	13.4
132.99550	17.1
151.00609	1.6
158.77817	1.4
172.98962	1.9
173.23618	1.5
191.00128	6.0
239.23637	21.8
277.21655	1.9
313.27368	8.2
367.39609	1.5
390.54199	1.6
539.28821	100.0
540.07568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32343	1.9
55.01865	4.0
55.05497	3.3
57.03425	4.7
57.07070	29.4
64.85771	2.0
67.05491	15.1
69.03413	14.2
69.07049	11.4
70.81857	1.8
71.08614	17.0
73.02914	17.7
79.05470	2.3
81.03422	4.3
81.07043	11.8
83.08604	13.4
85.02876	14.4
85.10173	11.3
93.07024	3.9
95.08586	24.9
97.02839	2.7
99.04427	11.0
107.08540	3.6
109.02863	23.0
109.10147	11.0
110.03590	3.0
111.04420	24.3
127.03880	11.5
132.99492	13.0
165.12648	2.6
172.99010	4.0
179.14255	2.6
189.97006	2.3
191.00027	4.2
233.94685	2.8
239.23659	20.7
276.68991	2.6
289.12790	2.2
299.57736	2.3
313.27365	11.3
379.31833	2.5
507.18271	2.8
539.28687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3118
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
52.17660	1.6
55.05521	2.1
57.07086	1.8
62.70208	1.5
64.72228	1.5
67.05529	5.7
69.07074	19.7
70.02953	4.2
71.08601	1.6
72.04559	1.4
76.62834	2.0
79.05487	2.2
79.35040	1.7
81.06683	1.4
81.07058	14.8
82.20901	1.4
83.08654	2.2
86.64085	1.5
87.05594	13.9
93.07062	8.8
95.08614	9.1
107.08626	3.8
109.10167	13.0
111.04440	1.8
119.08578	1.8
121.10199	1.9
123.11712	3.7
135.11707	3.4
166.04977	1.9
178.05052	8.7
192.06555	2.1
198.09436	1.9
230.08405	2.3
232.09679	2.3
246.11327	2.0
258.11240	2.8
302.09970	1.9
312.15836	3.1
334.10947	3.9
335.11288	7.0
348.42944	1.9
403.18655	6.9
405.20288	2.4
415.18774	8.7
417.20273	4.1
453.24744	2.1
539.31219	100.0
539.38843	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17660	1.6
55.05521	2.1
57.07086	1.8
62.70208	1.5
64.72228	1.5
67.05529	5.7
69.07074	19.7
70.02953	4.2
71.08601	1.6
72.04559	1.4
76.62834	2.0
79.05487	2.2
79.35040	1.7
81.06683	1.4
81.07058	14.8
82.20901	1.4
83.08654	2.2
86.64085	1.5
87.05594	13.9
93.07062	8.8
95.08614	9.1
107.08626	3.8
109.10167	13.0
111.04440	1.8
119.08578	1.8
121.10199	1.9
123.11712	3.7
135.11707	3.4
166.04977	1.9
178.05052	8.7
192.06555	2.1
198.09436	1.9
230.08405	2.3
232.09679	2.3
246.11327	2.0
258.11240	2.8
302.09970	1.9
312.15836	3.1
334.10947	3.9
335.11288	7.0
348.42944	1.9
403.18655	6.9
405.20288	2.4
415.18774	8.7
417.20273	4.1
453.24744	2.1
539.31219	100.0
539.38843	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3188
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
63.20371	0.6
81.07033	0.8
96.18331	0.8
109.44105	0.9
171.14064	0.8
244.57599	0.8
261.85568	0.9
500.09906	0.9
539.31921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37257	3.0
53.03977	3.6
55.05511	26.1
56.57590	3.6
57.03434	3.4
57.07072	16.5
59.97584	3.4
60.85757	3.6
67.05504	44.1
69.07088	30.0
71.08631	6.2
79.05507	26.9
81.03410	28.6
81.07060	44.0
81.42365	3.5
83.04971	17.2
83.08628	22.8
85.10166	5.0
91.05483	6.4
92.05629	3.7
92.20992	4.5
93.07036	41.2
95.04964	20.7
95.08603	24.8
97.10169	51.2
105.07033	18.7
106.40322	4.1
107.08600	34.8
109.06573	5.7
109.10140	18.3
119.08562	9.3
121.10140	27.6
125.09627	47.4
131.08557	5.2
133.10126	18.8
135.08060	6.2
135.11731	7.6
147.11679	15.8
151.11166	25.5
151.64323	4.6
153.12767	4.7
161.13210	5.4
163.11066	4.4
173.13243	4.0
181.14088	3.8
185.12932	4.5
189.11197	18.8
191.53226	3.7
226.18124	4.8
227.12836	36.4
245.13803	44.9
277.21646	61.1
283.09641	5.5
295.22479	4.2
296.25739	7.4
315.82657	4.0
351.25272	23.3
381.24286	4.0
521.34808	100.0
539.39740	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.0
57.03445	2.9
57.07080	2.1
67.05516	23.9
69.03432	2.4
69.07056	9.8
71.08636	33.0
79.05497	23.5
81.07066	24.6
83.04987	6.2
83.08621	26.9
85.06551	2.0
91.05479	10.7
92.15689	1.4
93.07046	30.9
95.04949	2.4
95.08596	19.6
97.06537	2.4
97.09582	2.6
97.10170	48.3
99.08105	17.5
105.07046	13.7
107.04951	6.6
107.08591	35.4
109.06526	2.3
109.10156	8.6
111.08060	3.3
113.09663	1.4
117.07020	1.9
119.08590	12.9
121.10132	14.2
123.11732	1.8
125.09628	52.1
129.07008	1.5
131.08578	1.7
133.10141	10.1
135.08038	6.8
135.11684	14.1
137.09630	2.9
143.08577	2.0
143.10680	2.5
145.10179	1.9
147.11714	6.3
149.13264	6.0
151.11183	11.0
153.09035	1.8
161.13237	9.5
163.11179	5.7
171.10162	3.2
177.12698	1.9
179.14316	35.3
189.11243	24.9
189.12759	3.0
227.12779	23.0
245.13841	47.7
247.56386	1.6
266.95590	1.4
273.71185	1.6
277.21637	27.1
295.22644	7.6
300.76413	1.5
305.24850	2.4
322.27271	2.4
351.25330	27.5
436.57568	1.5
449.89328	1.4
483.20865	1.7
521.34741	100.0
521.42749	3.3
526.68414	1.6
539.39307	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3575
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
55.05515	12.3
57.07077	11.0
67.05514	57.6
69.07065	40.7
71.08627	11.9
76.26161	4.7
79.05506	12.2
81.03419	25.3
81.07066	64.9
83.04987	7.1
83.08611	27.3
84.14172	5.3
93.07027	35.2
95.04951	35.2
95.08606	31.6
97.10178	60.4
105.07062	11.2
107.08598	38.4
109.10155	31.1
111.08117	7.2
111.11733	6.1
118.82000	4.9
119.08578	7.1
119.35751	4.5
121.10126	25.4
122.52965	5.1
123.11707	9.0
125.07537	4.8
125.09649	44.1
133.10162	21.1
135.08006	6.6
135.11705	19.1
141.12807	7.1
147.11604	6.0
149.13219	11.1
151.11165	30.7
153.12787	6.2
161.13283	7.7
165.12715	21.2
176.15460	4.9
189.11217	8.9
198.14928	17.1
227.12820	34.2
245.13852	34.0
277.21609	61.8
294.24066	17.0
307.26266	10.6
324.28937	85.0
351.25150	11.7
376.04721	5.5
521.34778	100.0
539.38989	9.9
539.45587	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90177	5.4
60.47936	6.1
67.05509	12.0
68.85671	6.1
69.07048	17.5
71.08613	48.2
81.07055	37.8
83.08627	31.3
93.07047	7.0
95.08597	16.1
97.06532	8.0
97.10181	9.9
99.08112	28.0
107.08591	10.3
109.10117	9.1
121.10175	11.4
123.11703	12.3
126.44368	7.3
135.11673	6.7
167.73741	7.1
179.14258	8.5
251.20102	14.5
269.21271	12.9
271.22659	100.0
305.22992	8.1
318.58456	7.4
455.62949	7.6
460.57941	7.7
539.48425	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75376	1.2
52.59734	1.3
55.05513	10.7
57.07067	7.4
57.42723	1.2
67.05506	23.4
69.07060	8.6
69.18908	1.4
71.04968	1.4
71.08624	2.9
78.63819	1.7
79.05494	7.5
81.07056	18.0
83.08626	7.8
85.06513	1.4
90.63298	1.3
91.05463	2.8
93.07040	10.2
94.75717	1.5
95.08607	19.8
97.10165	6.4
105.07035	3.5
107.08588	8.0
109.10143	12.8
117.07002	1.8
119.08566	9.2
121.10139	8.6
123.11674	3.8
125.09602	2.5
129.06963	2.7
131.08566	17.3
133.10101	7.2
133.18616	1.5
135.11707	3.2
143.08562	13.9
145.10130	35.3
147.11674	2.9
155.08537	7.1
157.10132	16.1
159.11696	12.0
161.13220	2.7
163.03903	2.1
169.10112	7.0
171.11678	12.0
173.13232	12.2
181.10124	6.8
183.11734	5.8
185.13208	12.1
187.14801	18.0
195.11665	2.9
197.13237	6.4
199.14810	9.9
201.16331	17.8
209.13258	2.4
211.14815	8.8
213.16328	10.8
215.17992	7.0
223.14761	6.6
225.16382	7.2
227.17859	6.6
229.19403	2.2
239.18034	2.3
241.19556	3.5
251.17934	2.4
253.19415	3.7
257.22668	2.0
267.21115	2.9
279.21066	2.2
299.23630	2.0
311.23828	2.2
325.25369	2.5
395.33362	2.3
404.76736	1.7
437.34546	1.8
451.36377	1.9
503.42184	6.5
521.35687	3.2
521.43555	100.0
539.31622	3.3
539.44617	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45082	0.8
58.06603	1.4
73.05879	0.9
75.48944	1.0
75.56305	1.0
85.02936	1.0
155.14552	1.0
219.10172	1.2
258.72040	1.2
319.08423	8.0
320.09174	7.2
321.10095	1.8
334.10712	21.5
336.12430	6.8
368.12802	1.3
425.07846	1.2
441.12427	1.7
481.08133	5.2
482.08679	8.5
496.10217	14.5
497.11060	2.6
508.10385	7.8
509.07751	2.6
510.08063	27.0
512.21271	2.6
524.09821	48.1
525.10529	10.4
540.12952	100.0
540.20581	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55869	0.2
56.63811	0.2
68.47955	0.2
68.67770	0.2
74.67088	0.2
79.17350	0.2
114.03343	0.3
132.04492	0.4
172.03914	11.8
190.04988	100.0
218.04469	4.0
247.98466	0.3
295.27756	0.3
317.15170	0.3
319.08481	1.7
320.08932	0.3
323.10507	0.4
324.68570	0.3
334.10822	4.3
367.09183	1.1
517.27783	0.3
540.13953	33.3
550.32495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09489	0.3
58.40788	0.3
62.16008	0.4
82.48744	0.3
84.52285	0.4
86.04174	0.4
87.11265	0.4
110.35513	0.3
157.35701	0.4
221.29959	0.4
259.93561	0.4
266.62448	0.4
292.09683	8.8
304.09705	1.7
306.07748	3.3
320.09164	12.3
321.06113	0.9
321.09949	29.8
336.12286	100.0
419.30157	0.4
493.45361	0.4
540.07532	0.7
540.15033	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51257	0.4
72.55367	0.4
95.47064	0.4
101.84480	0.4
129.27473	0.4
174.05528	2.0
180.99896	0.5
188.03517	0.5
272.54636	0.4
319.08221	1.9
320.09259	1.5
321.09885	0.8
334.10730	7.7
336.12253	6.1
396.12369	0.4
408.12167	0.8
412.11868	0.5
422.14279	0.6
436.11697	2.5
439.10947	0.6
446.10519	0.8
449.08871	0.7
451.14670	0.6
452.11365	1.6
454.12750	1.7
462.09607	0.5
463.10571	1.5
464.11368	5.6
477.08118	0.7
478.12918	2.5
479.14453	1.2
480.10461	0.7
481.11542	0.6
482.12451	9.2
491.09912	0.6
492.10745	6.6
494.12161	0.8
496.13889	14.4
506.12183	3.3
508.14178	7.5
509.11200	0.6
510.11874	25.5
524.13434	36.1
525.14026	4.5
540.16504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20734	0.4
58.06561	0.4
64.37482	0.4
67.54354	0.5
72.08138	0.7
90.09153	1.1
135.07962	1.0
190.04994	0.6
214.85420	0.5
283.11050	0.6
290.07947	0.9
292.09528	2.0
304.06033	0.9
306.07593	0.8
306.11072	0.9
318.07413	2.0
319.08398	6.4
320.09134	10.9
321.06369	1.0
321.09866	7.7
322.10715	1.9
332.09042	1.1
334.10672	13.1
336.08630	6.1
336.12250	43.8
337.12885	0.8
348.08646	6.3
349.09467	19.5
350.10236	5.5
362.09967	0.7
364.11774	100.0
365.12708	2.2
512.19153	0.9
540.18701	76.5
540.26959	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20734	0.4
58.06561	0.4
64.37482	0.4
67.54354	0.5
72.08138	0.7
90.09153	1.1
135.07962	1.0
190.04994	0.6
214.85420	0.5
283.11050	0.6
290.07947	0.9
292.09528	2.0
304.06033	0.9
306.07593	0.8
306.11072	0.9
318.07413	2.0
319.08398	6.4
320.09134	10.9
321.06369	1.0
321.09866	7.7
322.10715	1.9
332.09042	1.1
334.10672	13.1
336.08630	6.1
336.12250	43.8
337.12885	0.8
348.08646	6.3
349.09467	19.5
350.10236	5.5
362.09967	0.7
364.11774	100.0
365.12708	2.2
512.19153	0.9
540.18701	76.5
540.26959	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57695	0.4
69.03407	0.5
74.02320	0.5
81.81898	0.5
90.36061	0.4
92.21581	0.5
109.53535	0.4
127.31130	0.4
151.86296	0.5
174.87807	0.5
218.79155	0.5
269.64273	0.5
278.08002	0.9
279.08875	0.6
292.09735	1.6
318.07663	1.1
319.08398	4.9
320.09143	6.4
321.09879	2.2
322.10489	1.1
323.11502	0.9
334.10748	7.3
335.11081	0.9
336.12271	55.9
337.12613	0.7
338.13559	0.8
340.08005	0.8
348.08545	2.8
349.09366	1.9
350.10364	3.8
350.14023	0.8
364.11774	100.0
365.12726	4.1
378.13461	0.8
396.14362	0.7
424.13898	3.1
512.19049	0.9
540.18671	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
61.02925	6.8
69.03432	7.1
71.02716	1.0
73.02935	1.3
81.03424	5.2
84.46521	1.0
85.02910	71.0
87.04476	1.5
91.03940	1.5
97.02899	21.7
99.04472	2.3
106.20901	1.0
107.04975	2.4
109.02872	5.8
111.04469	1.6
115.03890	1.2
121.98489	1.1
127.03941	20.0
135.04416	18.2
139.03905	15.9
145.04979	22.0
153.05467	100.0
163.03870	4.7
163.06010	11.5
173.05920	1.2
181.04967	23.2
199.06021	55.1
199.07797	2.2
234.15108	1.2
247.06018	1.7
252.71751	1.2
259.06284	1.1
265.07071	5.1
279.87372	1.1
304.12582	1.1
307.08005	1.9
325.11450	4.8
361.11380	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.0
57.48374	1.2
58.06591	1.4
61.02932	8.2
62.08606	1.2
68.06075	1.3
69.03435	13.3
70.06583	2.8
71.04973	1.7
73.02911	1.7
73.65288	1.4
81.03426	5.4
84.08160	2.4
85.02908	93.3
87.04434	1.7
88.72311	1.6
90.30634	1.5
91.03949	3.5
95.01904	1.4
97.02896	22.5
99.04440	5.9
102.28477	1.6
103.63650	1.5
107.04977	3.1
109.02876	5.3
116.07086	1.5
127.03917	19.1
135.04422	23.7
139.03899	18.7
145.04971	28.4
153.05467	100.0
163.03908	6.1
163.05994	11.7
181.04968	23.9
187.51085	1.6
199.06007	38.8
199.07785	2.0
204.61681	1.6
247.05992	1.9
265.07312	1.7
307.08011	2.9
325.11667	10.2
361.11209	10.0
401.53009	1.7
475.70844	1.7
540.19373	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01881	11.1
55.47668	1.3
64.50636	1.4
69.03415	2.7
70.06590	2.9
74.07189	2.0
79.05489	1.9
81.03431	6.9
84.07237	1.4
85.02920	7.1
86.06088	9.0
87.04469	11.2
90.92857	1.5
97.02889	3.6
98.06050	15.2
99.04466	18.0
104.07156	2.2
106.06562	3.3
108.04475	2.9
109.02892	3.4
109.10194	1.6
111.04421	1.8
116.07113	7.1
124.07629	2.0
125.04745	2.6
126.05530	6.5
127.03942	1.8
128.07103	3.5
134.06029	12.3
138.09135	2.7
145.02815	17.2
148.06505	1.6
148.07607	10.1
163.82645	1.5
166.08646	6.4
167.07019	1.9
173.27913	1.6
176.07059	56.0
176.08511	2.1
177.05467	81.7
180.87987	2.0
194.08127	51.1
196.05235	1.5
203.07066	18.8
212.09254	8.6
214.12447	2.3
221.08125	7.0
230.10303	6.3
362.24939	1.7
504.18784	15.2
522.19635	67.0
540.20801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01881	11.1
55.47668	1.3
64.50636	1.4
69.03415	2.7
70.06590	2.9
74.07189	2.0
79.05489	1.9
81.03431	6.9
84.07237	1.4
85.02920	7.1
86.06088	9.0
87.04469	11.2
90.92857	1.5
97.02889	3.6
98.06050	15.2
99.04466	18.0
104.07156	2.2
106.06562	3.3
108.04475	2.9
109.02892	3.4
109.10194	1.6
111.04421	1.8
116.07113	7.1
124.07629	2.0
125.04745	2.6
126.05530	6.5
127.03942	1.8
128.07103	3.5
134.06029	12.3
138.09135	2.7
145.02815	17.2
148.06505	1.6
148.07607	10.1
163.82645	1.5
166.08646	6.4
167.07019	1.9
173.27913	1.6
176.07059	56.0
176.08511	2.1
177.05467	81.7
180.87987	2.0
194.08127	51.1
196.05235	1.5
203.07066	18.8
212.09254	8.6
214.12447	2.3
221.08125	7.0
230.10303	6.3
362.24939	1.7
504.18784	15.2
522.19635	67.0
540.20801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01881	11.1
55.47668	1.3
64.50636	1.4
69.03415	2.7
70.06590	2.9
74.07189	2.0
79.05489	1.9
81.03431	6.9
84.07237	1.4
85.02920	7.1
86.06088	9.0
87.04469	11.2
90.92857	1.5
97.02889	3.6
98.06050	15.2
99.04466	18.0
104.07156	2.2
106.06562	3.3
108.04475	2.9
109.02892	3.4
109.10194	1.6
111.04421	1.8
116.07113	7.1
124.07629	2.0
125.04745	2.6
126.05530	6.5
127.03942	1.8
128.07103	3.5
134.06029	12.3
138.09135	2.7
145.02815	17.2
148.06505	1.6
148.07607	10.1
163.82645	1.5
166.08646	6.4
167.07019	1.9
173.27913	1.6
176.07059	56.0
176.08511	2.1
177.05467	81.7
180.87987	2.0
194.08127	51.1
196.05235	1.5
203.07066	18.8
212.09254	8.6
214.12447	2.3
221.08125	7.0
230.10303	6.3
362.24939	1.7
504.18784	15.2
522.19635	67.0
540.20801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.8
70.06579	0.5
71.52887	0.5
72.81310	0.5
85.02905	3.5
91.05430	0.6
97.02889	1.0
129.07018	1.1
131.08562	2.7
137.05994	0.6
141.06984	2.1
147.04430	0.7
157.06456	2.6
159.08070	5.6
163.07457	0.6
169.06473	1.0
174.06787	3.9
175.03889	2.3
175.07585	1.3
177.05482	0.7
178.08534	0.9
180.08679	0.8
186.06776	0.9
189.09084	22.9
191.10698	2.8
201.09079	7.8
207.06526	2.2
219.10158	100.0
237.11249	3.1
246.04146	0.5
267.48569	0.6
540.16168	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36112	0.2
53.80367	0.2
56.16874	0.2
56.91348	0.2
57.43176	0.2
62.56439	0.2
64.66682	0.2
65.21960	0.2
65.52717	0.2
66.23405	0.2
66.70009	0.2
69.03423	0.3
69.21088	0.2
70.29971	0.2
79.05469	0.3
83.36409	0.2
83.62797	0.2
85.02904	1.7
91.05475	1.2
91.83241	0.2
93.63770	0.2
95.04971	0.5
97.02883	0.4
103.05466	2.6
107.04953	0.4
109.06499	0.2
109.88975	0.3
117.07027	0.5
119.04934	1.1
121.06516	1.0
122.67725	0.2
123.08081	0.4
127.03746	0.2
129.06927	0.4
131.04932	13.5
135.08029	0.3
137.05980	22.0
143.08560	0.5
145.06506	0.4
147.08104	0.3
149.06000	1.8
149.09598	0.3
151.07542	18.2
157.06415	1.6
157.30226	0.2
161.05940	2.8
161.09631	0.3
162.06798	0.3
163.07535	39.8
165.09178	0.3
171.08017	0.8
174.06697	0.3
175.07558	4.6
177.09100	100.0
179.54453	0.2
189.09096	5.9
195.08102	1.2
195.10175	3.5
203.10623	0.9
207.06479	0.3
207.10135	0.5
209.09608	0.3
219.10123	0.2
221.05966	0.9
221.09778	0.8
221.11707	18.6
223.07578	1.1
225.09079	0.4
227.10632	4.1
237.09024	0.4
239.10677	0.3
240.07657	0.3
249.09071	0.8
253.08580	1.5
253.12192	2.9
255.10132	6.1
265.08490	0.4
267.10110	0.8
269.11560	0.3
272.10330	0.3
281.11710	1.2
284.10138	0.3
285.11197	3.4
287.12741	5.4
293.11710	0.5
297.11118	0.3
299.12708	0.9
311.12820	2.0
313.14407	3.2
320.09152	0.5
328.91422	0.2
331.15378	22.0
339.13351	1.1
343.15417	2.5
345.17123	1.2
367.12521	0.3
424.33630	0.2
508.20758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20149	0.2
52.54910	0.2
61.02935	0.5
63.49454	0.2
66.23801	0.2
69.03421	0.5
81.51088	0.2
85.02917	3.5
89.26832	0.2
97.02876	0.9
112.79756	0.3
115.05412	0.3
127.03918	0.4
128.17844	0.3
129.06972	2.6
130.41341	0.3
131.08582	3.0
131.51704	0.2
137.05977	1.5
141.06985	2.7
145.04930	0.3
145.06352	0.2
157.06487	6.2
158.07297	0.5
159.06839	0.5
159.08049	6.3
160.05286	0.4
163.07587	0.5
169.06464	2.2
170.07246	1.0
174.06755	5.2
175.07562	3.4
186.06784	1.4
187.07596	0.4
189.09105	28.2
191.10637	2.4
201.09123	10.1
207.10236	0.5
219.10162	100.0
237.11252	1.5
302.95612	0.3
381.15512	1.4
395.58408	0.3
431.49454	0.3
501.66138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43239	0.7
55.46009	0.8
59.21968	0.9
63.15271	0.8
65.03917	0.9
85.02922	4.0
91.05482	4.9
119.04913	9.6
121.06483	1.1
133.90356	0.9
137.05984	20.1
145.06473	1.6
147.04401	100.0
149.05969	6.0
151.07530	35.7
157.06444	4.1
163.07521	9.4
165.09026	1.1
174.06761	1.4
175.07574	1.9
189.09096	21.9
195.08057	2.1
201.09125	2.1
202.16982	1.1
207.10161	2.2
219.10138	27.0
220.07611	1.2
221.09535	1.1
223.07533	1.9
227.10681	11.1
249.09067	1.2
253.08455	1.3
253.12236	4.1
255.10127	14.3
262.59241	1.0
272.51389	1.0
276.06555	1.5
278.08096	2.0
285.11151	9.9
287.12726	18.6
313.14282	7.9
320.09198	1.5
331.15366	64.4
334.10562	1.6
481.51318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76202	1.7
66.15536	1.8
66.49070	1.9
69.92056	1.8
87.17661	1.9
109.02893	3.3
124.98697	2.1
131.04915	15.2
137.05988	32.2
149.06001	3.0
151.07536	26.9
161.05954	2.4
163.07530	51.6
171.08049	2.0
175.07536	4.2
177.05560	17.9
177.09102	100.0
178.05803	10.1
189.09079	8.1
190.91487	2.1
221.11728	24.0
227.10670	4.4
255.10107	4.6
285.11234	3.4
287.12964	4.5
287.59241	2.2
331.15366	36.9
390.86380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00241	0.4
52.00573	0.3
54.06821	0.4
55.07148	0.3
61.02953	0.3
62.29854	0.4
69.03438	0.5
71.82633	0.4
85.02922	4.0
97.02887	0.6
100.16553	0.4
104.98855	0.4
127.03928	0.5
129.06989	1.0
131.08546	4.2
137.05977	5.7
141.06979	2.1
149.05984	0.6
151.07542	7.9
157.06456	4.6
158.07271	0.7
159.08049	5.7
163.07535	1.8
169.06487	2.5
170.07317	0.5
174.06786	5.3
175.07622	3.3
175.08824	0.4
186.06783	1.8
189.09102	32.2
191.10689	2.6
195.08083	0.5
201.09120	10.9
207.10170	0.6
219.10162	100.0
225.46844	0.4
227.10663	1.0
253.12308	0.6
255.10121	2.4
276.06604	0.7
285.11264	1.8
287.12799	2.9
313.14243	0.8
325.13760	0.6
331.15384	9.8
403.79483	0.4
455.96347	0.4
479.25632	0.5
494.90121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88847	0.3
66.45182	0.4
71.99685	0.4
76.58055	0.4
81.07064	0.7
91.05482	8.8
92.63615	0.4
109.06532	0.6
119.04942	6.9
119.08566	0.4
121.06492	0.5
137.05977	45.7
320.09229	1.0
321.09857	0.7
324.26776	0.6
334.70355	0.5
336.12369	2.4
337.12479	0.6
358.27173	0.6
368.25839	9.7
386.26874	40.6
404.27924	29.9
445.41653	0.5
540.33203	100.0
560.21350	0.4
562.97949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.7
55.97966	1.2
57.03434	9.9
57.07051	1.5
67.05511	28.4
68.45633	1.4
69.03445	3.3
69.07063	8.5
79.05498	19.0
81.07060	35.1
83.08624	24.1
91.05468	4.2
93.07050	19.3
95.08611	24.1
97.10171	65.1
104.77139	1.6
105.07019	8.1
107.08599	26.6
109.10180	13.4
111.08069	2.0
117.07001	3.1
119.08591	3.4
121.10139	16.3
123.11685	2.3
125.09624	69.3
131.08557	3.1
133.10120	3.0
135.08029	3.9
135.11693	7.9
137.09683	1.8
143.10628	2.7
145.10115	3.8
147.11748	2.4
149.13205	7.1
153.09138	2.1
159.11661	3.7
161.13290	3.1
171.10144	6.7
189.11208	26.9
227.12772	56.0
243.20996	2.6
245.13806	34.2
261.22006	16.5
335.25766	22.5
336.12152	3.1
414.12897	2.3
487.33887	2.7
505.35248	100.0
540.45825	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	26.7
57.03435	10.0
61.49869	1.9
67.05511	34.8
69.03410	4.2
69.07063	11.8
70.52270	1.8
79.05499	26.1
81.07053	33.3
83.08633	30.1
91.05471	8.7
93.07034	33.8
95.08607	29.7
97.10163	83.1
97.10638	3.0
105.07001	4.5
107.08602	32.4
109.10124	21.9
109.57657	2.2
111.08072	3.1
117.06986	2.6
119.08614	3.4
121.10104	19.3
123.11688	3.1
125.09626	100.0
131.08582	3.9
133.10139	8.1
135.07994	3.9
135.11688	8.5
143.10713	3.5
145.10107	2.5
147.11621	4.5
149.13261	3.3
153.09116	4.9
171.10173	12.1
187.14929	2.2
189.11214	53.7
227.12761	69.9
243.21263	2.9
245.13803	86.4
261.22134	12.3
310.06180	2.5
335.25824	68.5
336.12289	8.8
505.35181	39.2
523.35907	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
55.38828	2.4
64.40968	2.2
67.05509	81.3
69.07072	5.4
79.05489	4.6
81.07063	97.5
83.08634	5.1
85.06519	2.3
85.10154	2.5
91.53442	2.5
93.07041	13.6
95.08067	4.6
95.08614	69.3
105.07043	3.3
106.31528	2.5
107.08602	13.7
109.10165	33.6
111.04443	12.4
111.08051	3.2
119.08633	3.1
121.10129	10.9
123.11709	14.5
131.08580	11.6
133.10104	3.3
135.11671	11.4
137.13274	11.1
145.10117	4.1
148.55641	2.7
149.13231	5.6
151.14859	3.4
153.12735	10.6
163.11162	12.9
172.82709	2.9
173.13258	5.3
181.12234	22.9
191.10687	12.6
209.11665	4.6
209.15405	5.0
227.12796	43.5
245.13808	5.5
261.21982	3.9
272.56311	3.0
279.23190	100.0
303.89645	2.7
321.61615	2.9
326.71472	2.8
336.12415	12.0
497.24823	3.3
540.33527	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37049	2.0
52.59728	2.1
57.07082	25.3
66.79269	1.9
68.11852	2.4
71.08635	25.2
73.06542	3.0
81.07085	3.1
83.08619	2.2
85.10178	11.1
89.06031	76.0
89.06539	4.3
95.08601	2.7
105.76397	2.3
117.09106	2.6
133.08565	26.5
138.06255	2.1
177.11201	5.5
285.27960	3.8
315.74146	2.4
320.09277	4.5
321.09973	11.1
327.20084	4.8
336.12283	100.0
336.16492	3.4
444.21069	2.7
523.41974	53.6
540.44617	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50150	64.2
61.91111	73.4
74.18577	89.5
76.64489	73.9
81.00671	96.0
119.74809	74.1
246.89949	100.0
299.99597	86.2
322.84052	87.5
333.67340	86.6
395.90976	83.8
519.46039	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66225	0.8
51.43708	0.8
59.04647	1.0
67.05481	1.1
72.41848	1.1
73.33128	1.0
96.45547	0.9
101.78658	1.0
124.99856	1.0
188.14357	1.1
190.04984	4.2
220.06076	1.1
276.07037	1.1
276.10251	1.0
291.08966	3.8
305.27686	1.3
306.07529	10.2
319.04877	1.3
319.08398	1.2
320.08972	1.5
321.10062	3.8
322.10831	2.4
329.95834	1.1
334.07095	35.5
336.12402	2.5
349.09412	16.4
375.09915	1.4
451.12738	1.3
454.12097	1.6
455.12396	4.6
464.13754	4.2
465.10861	5.9
467.12595	15.3
468.13757	1.4
469.13934	10.1
477.10751	1.5
481.14014	17.4
482.14886	15.9
483.11966	14.1
493.10095	4.0
497.13367	31.1
498.14081	4.6
507.11911	1.8
511.11392	1.7
512.16040	6.8
513.16595	45.0
541.16113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42838	0.5
59.38381	0.4
71.64349	0.5
71.68966	0.5
73.67747	0.5
75.04493	1.9
293.20728	0.7
307.08282	0.8
308.09369	0.5
319.08371	3.3
320.09244	2.2
334.10815	6.1
335.10953	0.8
336.12048	1.2
364.08221	0.9
393.12439	0.7
421.11676	0.9
438.12094	41.5
439.12869	100.0
481.13483	0.7
541.15961	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90963	0.4
53.03967	0.6
53.51991	0.4
53.62754	0.4
69.03410	0.7
71.04976	0.4
79.89920	0.5
81.03416	3.3
83.04959	1.9
85.02888	0.9
89.03908	1.0
90.26330	0.5
97.02869	0.8
99.04449	17.5
99.89002	0.5
109.02879	0.7
117.03364	0.9
120.34212	0.4
127.03893	0.5
135.04407	3.9
145.02834	5.5
145.04794	0.4
161.02628	0.5
163.03889	100.0
181.04912	0.7
263.09113	1.9
281.10114	2.8
307.08014	0.6
324.89063	0.4
387.10480	0.7
423.12677	0.9
472.33228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63107	0.9
54.57938	0.7
64.99417	1.0
75.61966	0.8
76.37755	0.8
80.44724	0.9
80.95133	0.9
81.03397	1.5
82.85379	1.0
91.05463	1.7
99.04459	11.3
109.02872	1.7
119.04946	10.9
123.04457	1.7
147.04407	16.9
155.07047	2.1
157.03915	1.0
174.03185	1.2
175.03903	56.3
177.05486	1.1
179.07002	1.0
187.03697	1.1
191.07050	1.2
192.04176	8.2
193.04868	1.8
205.04999	1.8
207.06525	100.0
219.06511	2.4
229.10602	1.2
249.07549	23.1
281.10190	25.4
318.07922	1.0
319.08417	6.7
320.09094	4.3
334.10721	13.2
335.11188	1.6
340.28488	1.0
350.76108	1.1
371.11313	2.0
389.12149	4.2
541.18494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03828	0.4
85.02917	1.2
88.73812	0.4
94.10942	0.5
97.02905	0.6
105.68459	0.5
116.43788	0.5
118.06520	3.0
122.32025	0.4
127.03879	0.5
132.08122	1.1
135.04413	0.7
144.08075	5.9
146.06017	38.3
153.05504	2.1
154.05739	0.9
159.09187	4.7
170.06041	2.2
188.07068	100.0
199.06165	0.5
205.09715	39.4
256.74695	0.5
264.77475	0.5
296.49323	0.5
355.91748	0.6
565.11377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.2
55.05522	5.5
59.05001	0.5
61.02915	0.4
69.03419	2.6
70.06603	0.8
70.24596	0.5
71.04987	0.7
73.02913	0.4
73.06542	0.8
81.03423	7.4
83.04987	9.9
85.02904	6.5
86.06046	0.5
97.02885	4.2
99.04456	100.0
101.02354	0.4
101.06029	2.7
109.02902	2.6
111.04492	0.5
114.24268	0.5
117.05499	13.4
119.07042	4.8
127.03906	3.9
145.04974	2.2
188.07109	0.5
243.08638	1.0
261.09683	11.5
263.11172	0.8
280.11734	0.8
281.12170	3.1
310.98505	0.5
343.13861	0.8
361.14954	2.8
379.15332	2.1
541.23730	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.9
54.32111	0.5
55.05519	5.6
58.06607	2.6
62.91453	0.5
62.97442	0.5
66.73166	0.5
67.10796	0.5
69.03426	1.2
70.06610	0.6
71.05009	0.9
81.03441	6.8
83.04989	10.4
84.08115	0.6
85.02905	6.1
97.02911	4.7
99.04461	100.0
101.06026	3.2
109.02888	3.6
117.05495	10.9
119.07080	6.8
123.04349	0.7
127.03920	3.8
142.31387	0.6
146.06065	0.8
188.07047	4.4
194.53136	0.6
205.09666	1.1
221.60081	0.6
243.08694	1.0
261.09641	9.1
263.11380	0.8
280.11929	0.8
281.12256	2.4
361.14868	3.2
379.15497	0.8
484.31290	0.7
523.18506	1.1
541.15009	1.3
541.23865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	1.2
59.36345	1.0
71.45235	1.1
75.69425	1.3
81.07059	2.3
83.08635	1.7
95.08627	1.7
97.10168	1.7
99.49767	1.2
107.08594	2.7
108.75476	1.2
149.13249	2.2
170.11804	2.7
184.17006	1.3
212.16415	17.7
435.50479	1.3
523.36316	2.2
541.33472	100.0
545.95319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52646	0.5
73.81969	0.6
81.36889	0.6
89.69707	0.5
95.81889	0.6
108.71790	0.6
108.93076	0.6
198.15079	0.9
203.05235	1.0
212.16528	3.4
250.09018	0.6
470.04715	0.7
541.33459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.7
55.05512	53.5
57.03445	10.1
61.27152	8.0
67.05511	94.6
69.03437	19.1
69.07059	39.5
79.05524	60.7
80.56666	7.9
81.03410	49.0
81.07071	100.0
83.04980	59.0
83.08617	14.3
85.02908	20.9
88.23878	8.2
91.05479	47.2
93.07045	95.8
95.08615	95.3
97.10111	8.9
97.23942	7.6
105.07027	55.5
107.08600	78.1
109.06487	11.2
109.10155	47.4
111.04421	10.3
117.06992	29.7
119.08573	92.0
121.10142	66.7
123.08051	10.3
123.11707	8.8
125.33175	8.7
129.06990	11.6
131.08553	53.7
133.10115	41.8
135.11676	46.3
137.09604	14.2
143.08611	18.3
145.10127	50.6
147.11696	21.0
149.13251	34.6
157.10069	14.2
159.11685	55.2
161.13156	13.1
169.10054	11.3
173.13252	14.2
183.11649	10.4
185.13312	9.8
187.14807	13.1
213.12666	11.3
227.09352	10.9
259.20435	14.2
261.22055	10.3
273.21893	8.5
277.21597	12.1
300.50873	10.7
303.23123	14.8
369.24185	45.3
387.25116	64.9
405.26303	60.7
423.27359	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.2
57.07081	38.8
67.05512	49.9
69.07066	34.2
71.04997	16.2
71.08624	5.0
79.05479	7.3
81.07059	70.6
83.04970	16.7
83.08630	28.8
85.06531	27.1
91.19138	3.6
93.07037	31.0
95.08611	66.1
97.10176	19.3
99.08104	5.2
107.08588	23.7
109.10171	37.0
115.99395	3.4
121.10130	29.2
123.11694	25.2
125.09689	4.0
133.10101	8.0
135.11705	22.6
137.13199	4.4
149.13222	24.6
153.12755	4.5
163.14816	4.2
167.14342	3.5
237.22165	20.6
241.40109	3.9
251.20030	100.0
269.21115	80.7
272.50162	4.1
287.10065	3.9
311.91489	3.7
456.91568	3.8
487.41479	23.4
505.42337	53.0
541.34796	5.3
541.44141	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28555	4.2
57.07083	12.3
67.05506	7.1
69.07058	9.5
81.07055	37.8
83.04983	5.4
83.08606	8.1
85.06520	19.6
91.73445	5.4
92.21527	7.1
93.07043	9.7
95.08610	27.7
97.06517	8.3
105.47070	5.1
107.08587	21.3
109.10153	26.0
120.61953	5.9
121.10157	7.0
129.07437	5.0
133.10118	6.7
135.11693	45.3
148.65042	5.3
153.12727	22.0
157.83891	6.0
251.20079	64.7
256.26309	5.7
269.21088	100.0
275.79776	5.2
287.22202	5.5
350.86633	5.4
541.49512	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.2
57.07081	38.8
67.05512	49.9
69.07066	34.2
71.04997	16.2
71.08624	5.0
79.05479	7.3
81.07059	70.6
83.04970	16.7
83.08630	28.8
85.06531	27.1
91.19138	3.6
93.07037	31.0
95.08611	66.1
97.10176	19.3
99.08104	5.2
107.08588	23.7
109.10171	37.0
115.99395	3.4
121.10130	29.2
123.11694	25.2
125.09689	4.0
133.10101	8.0
135.11705	22.6
137.13199	4.4
149.13222	24.6
153.12755	4.5
163.14816	4.2
167.14342	3.5
237.22165	20.6
241.40109	3.9
251.20030	100.0
269.21115	80.7
272.50162	4.1
287.10065	3.9
311.91489	3.7
456.91568	3.8
487.41479	23.4
505.42337	53.0
541.34796	5.3
541.44141	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98866	13.8
52.41678	17.5
55.05517	14.4
60.32133	14.6
63.87055	13.6
67.05507	62.7
69.07059	76.6
71.20512	15.2
81.07054	90.7
82.85828	14.9
82.95427	14.0
83.08612	22.2
84.19064	15.6
89.38306	16.9
93.07045	23.8
95.08607	82.9
97.06544	29.2
97.10162	28.4
107.08591	25.4
109.10135	28.0
121.10128	67.4
135.11707	60.1
137.13185	21.3
142.94481	16.9
146.73874	17.8
192.30649	17.1
201.94812	17.2
214.14413	22.1
217.14349	26.0
237.22208	68.0
251.20047	100.0
269.21002	85.8
277.84610	18.1
281.25885	17.7
291.22543	19.2
487.41129	20.2
495.59619	20.3
505.42404	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41533	0.6
55.05517	24.1
56.62998	0.5
57.07076	7.7
59.20924	0.5
66.26173	0.6
67.05511	14.5
69.07067	45.0
71.05004	0.8
71.08644	4.9
73.06534	1.1
75.28284	0.7
79.05490	5.1
81.07059	28.1
83.04975	1.2
83.08620	25.2
85.06549	6.2
91.05468	7.4
93.07045	9.5
95.08604	25.8
95.11572	0.6
97.06556	4.5
97.10168	17.9
99.08102	4.4
105.07040	7.0
107.08582	7.9
109.06534	1.2
109.10157	15.1
111.08080	1.2
111.11720	5.4
113.09679	1.1
115.07554	0.7
115.72848	0.6
115.74506	0.8
119.08566	10.0
121.10118	8.1
123.08076	2.4
123.11687	6.5
125.09687	1.2
125.13277	1.2
133.10132	11.3
135.11671	8.9
137.09642	3.3
137.13252	5.5
139.11224	2.8
147.11682	10.0
149.13202	1.3
151.11200	2.9
151.14868	1.4
153.12796	1.3
161.13231	6.7
165.12758	2.6
175.13416	0.7
175.14851	3.2
179.14270	2.5
217.19464	6.0
235.18468	0.6
235.20515	5.3
253.21628	2.8
271.22589	9.7
336.12427	1.5
337.12659	3.7
448.10504	0.7
515.25250	0.7
541.44611	100.0
545.73291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.3
55.05520	22.7
55.72402	0.6
57.03452	0.8
57.06862	0.6
57.07088	9.6
67.05508	16.0
69.07074	42.5
71.05006	1.2
71.08636	5.4
79.05492	6.6
81.07064	26.3
81.07539	0.9
83.04984	1.4
83.08131	0.9
83.08627	25.7
85.02212	0.6
85.06559	6.6
91.05477	8.0
93.07052	7.1
95.08609	25.7
97.06532	6.0
97.10172	18.6
99.08073	2.9
105.07041	7.2
107.08604	9.1
109.06548	0.9
109.10152	13.8
111.08076	1.4
111.11736	4.2
113.09628	0.8
115.07603	0.8
119.08566	9.5
120.28667	0.6
121.10129	6.8
123.08077	1.3
123.11696	7.1
125.09616	1.2
125.13274	0.8
127.07575	0.6
133.10132	12.2
135.11711	7.4
137.09610	1.5
137.13290	3.8
147.11676	7.7
149.13240	1.2
151.11172	1.5
151.14784	2.7
161.13240	6.4
165.12735	3.1
175.14790	2.3
179.14391	1.2
191.17952	1.5
195.79520	0.6
217.19423	5.2
235.20538	4.7
253.21628	3.8
271.22687	7.8
314.88550	0.8
336.12234	3.3
337.12482	4.5
541.44647	100.0
555.67511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	8.9
57.00229	1.5
57.07084	11.9
57.37801	1.4
62.30663	1.4
67.05508	13.5
69.07069	28.7
71.08630	9.0
79.05501	3.2
81.07062	29.4
83.04988	2.3
83.08611	22.5
83.12489	1.6
85.10182	3.5
86.06033	1.7
91.05466	2.0
93.07047	7.8
95.08601	27.7
97.06549	8.8
97.10168	17.9
100.07600	2.1
105.07047	2.5
107.08627	12.2
109.10144	17.3
111.08086	2.4
111.11745	6.8
113.25554	1.7
114.09169	6.7
119.08574	3.7
121.10155	9.5
123.11715	9.6
133.10147	9.9
135.11722	21.5
137.09689	1.7
137.13284	2.8
145.10065	1.6
147.11739	5.8
149.13271	2.2
151.14848	2.0
152.14365	13.3
153.12779	16.5
156.98994	1.5
161.13234	2.4
170.15433	7.3
175.14809	1.6
180.13872	1.7
189.16316	1.9
198.14891	68.8
199.13391	1.7
216.15926	12.8
240.50089	1.8
249.25511	2.2
291.26828	3.2
308.29428	7.6
326.30569	8.6
382.24344	1.6
523.44696	100.0
549.12292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93110	17.9
53.17867	17.3
69.07075	31.4
81.07033	22.3
83.08612	35.6
92.20998	33.3
97.10168	29.0
106.61764	24.2
107.24928	23.3
135.11693	38.0
144.70372	24.2
173.58844	23.2
177.91406	28.0
237.22177	40.8
249.12891	23.1
255.23225	36.3
269.24741	100.0
353.89359	27.5
463.42743	29.7
465.95972	25.6
541.53870	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26938	3.6
56.39153	2.8
73.96677	2.8
121.61882	3.1
165.41736	3.7
196.42792	3.1
251.13652	3.2
306.07608	12.9
319.08395	7.5
334.07086	7.9
334.10724	12.3
344.02505	3.4
350.06683	3.9
422.10220	5.5
451.10849	4.0
454.12878	4.5
455.10358	5.5
456.11008	4.9
465.12030	15.2
466.09061	14.4
468.11002	27.3
470.11938	14.7
483.13309	26.2
484.10327	32.6
498.11804	58.8
512.09589	7.3
513.14465	7.8
514.15021	94.1
542.14301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33057	0.3
55.30655	0.3
64.70460	0.4
70.98191	0.4
92.20902	0.4
110.64803	0.4
190.04985	0.6
252.60318	0.4
254.19824	0.4
254.82349	0.4
290.08051	0.5
318.07599	0.8
319.08408	3.6
320.09100	1.7
324.09821	0.4
328.29791	0.4
334.10684	6.9
382.10916	1.0
392.09329	0.8
393.08896	0.5
408.08289	0.7
409.09262	2.0
410.10205	6.7
420.08517	0.9
421.09338	2.8
422.10245	1.9
423.07187	0.7
424.07788	5.1
425.12943	0.5
436.11838	29.3
437.08856	2.5
438.09702	25.7
439.10205	4.7
440.11295	0.7
450.09680	5.7
453.12024	29.4
454.12723	8.6
466.08920	0.7
467.10019	2.0
480.10608	1.6
482.12225	2.4
484.10693	0.5
494.08588	0.6
498.11826	6.8
508.10391	0.9
509.11325	0.5
510.12015	5.0
512.09760	7.1
524.13159	2.2
526.11255	11.3
527.12067	4.2
542.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46428	2.2
55.50651	1.7
63.52471	2.2
73.97163	2.0
86.84028	2.1
88.84290	2.1
107.04874	2.3
174.05487	8.9
174.27815	2.7
188.93462	2.5
200.23451	2.5
272.76569	2.5
276.78790	3.2
306.07541	3.1
320.09009	2.6
334.07028	2.7
334.10562	7.9
336.12299	4.7
428.11142	4.1
436.11981	4.7
442.12759	4.5
452.11258	3.0
454.12790	9.6
456.10663	14.6
468.10010	2.9
470.12421	16.3
484.10544	3.1
498.11841	24.5
514.14624	20.2
542.14447	100.0
553.98932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76557	0.7
94.69859	0.8
120.79816	0.9
140.30385	0.8
205.04990	1.1
217.51527	1.0
290.07980	1.4
318.07687	1.8
319.08340	9.2
320.05786	0.9
320.09103	7.7
321.09760	0.9
334.10669	15.1
336.12198	4.1
338.13834	1.5
409.09317	1.7
410.10181	7.4
421.09335	3.4
422.09949	1.2
424.08072	5.4
436.11823	28.5
437.09082	1.5
438.09671	24.2
439.10385	3.9
440.11505	1.0
450.09717	4.5
453.06021	1.4
453.12018	27.5
454.12927	7.8
480.10538	1.6
481.51416	1.0
482.12277	1.7
484.09677	1.5
498.11972	7.2
508.10278	1.5
510.11487	5.3
512.09601	7.8
526.11243	11.7
527.11920	4.4
542.14331	100.0
542.21094	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
67.66810	0.3
91.05419	0.5
99.04449	0.6
103.05464	0.4
104.50166	0.3
105.07010	1.6
117.05463	2.6
133.06477	0.9
135.08044	1.7
148.05136	0.9
149.06039	1.3
160.05168	0.4
161.05933	1.5
163.07571	0.7
176.03297	0.7
176.04683	12.6
190.04987	32.5
191.07024	100.0
193.08649	2.6
195.06497	2.5
219.04350	0.6
219.06508	15.0
237.07576	2.5
263.22620	0.4
290.08069	0.9
304.06046	0.7
306.60269	0.4
318.07767	0.5
319.08435	6.8
325.30893	0.4
334.06784	0.7
334.10715	11.5
353.12320	3.1
366.09644	0.5
408.10785	14.7
426.11978	0.7
456.24796	0.4
522.78491	0.5
524.15338	0.9
542.16699	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.181
Annotation	Unknow
Peak:m/z	Relative Intensity
78.41511	0.2
98.19752	0.2
99.58085	0.2
131.04887	0.3
151.61388	0.2
158.46713	0.2
273.07727	0.2
276.06580	0.4
290.08099	13.3
302.08099	4.0
304.06015	12.8
304.08969	0.3
318.07587	18.0
319.08371	59.0
320.09097	0.8
334.10709	100.0
336.12027	0.2
402.09662	0.2
428.39557	0.2
469.37451	0.2
542.18079	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44113	0.4
64.16226	0.3
71.73672	0.4
83.12702	0.4
110.24892	0.4
110.69539	0.5
127.46938	0.4
136.35347	0.4
289.07156	0.5
290.08130	11.3
302.08051	3.9
304.06073	10.9
318.07620	16.2
319.08383	58.7
320.09180	11.0
334.10724	100.0
336.12381	2.7
542.18213	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03962	0.3
55.52572	0.3
58.70697	0.3
92.21541	0.4
92.92872	0.3
105.11261	0.3
192.05086	0.3
234.42984	0.3
244.76840	0.4
263.04480	0.5
265.14484	0.3
276.06335	0.4
290.08109	11.2
302.08121	3.4
304.06021	10.9
318.07605	14.8
319.08380	57.2
320.09332	0.5
334.10715	100.0
336.12219	0.7
542.18073	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
75.54375	0.6
84.08109	0.7
104.83056	0.6
114.18263	0.6
121.06522	0.8
144.19197	0.6
212.44121	0.7
223.55066	0.7
250.57054	0.7
290.08044	11.7
302.08136	4.2
304.06073	13.2
318.07605	16.8
319.08359	64.8
320.09024	5.0
321.09872	3.5
334.10699	100.0
336.12210	7.0
337.12567	2.9
542.17969	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27042	0.2
57.31837	0.2
124.79775	0.2
140.96117	0.2
182.15337	0.3
190.04935	1.1
191.07010	2.4
219.06544	0.4
247.11726	0.3
276.06601	0.9
282.26440	0.3
290.08115	10.8
290.11331	0.4
302.08109	3.5
304.06082	10.7
304.09558	0.4
316.06241	0.4
318.07611	14.6
319.08405	56.2
320.09186	4.0
321.09598	0.4
334.10736	100.0
336.12381	1.2
408.10605	0.3
542.18115	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40158	1.0
60.54981	1.1
89.12604	1.1
172.22589	1.2
208.64819	1.2
222.00153	1.2
225.95670	1.3
334.10553	1.5
336.12451	1.7
344.09152	2.2
345.93881	1.3
357.10037	1.9
370.10922	2.9
372.08612	2.2
385.09723	5.2
398.10620	1.7
400.08301	5.0
402.09583	1.6
413.08994	5.2
437.16248	1.4
438.16855	3.0
440.18573	7.5
454.16522	14.5
468.18155	7.0
478.16257	1.8
482.16003	21.5
496.17523	16.3
500.17157	5.7
506.15805	1.6
524.17017	50.1
542.18073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
59.05496	0.6
60.24435	0.6
61.33216	0.6
69.03430	3.2
81.03416	7.5
85.02914	10.1
85.06553	1.0
97.02869	5.7
99.04460	100.0
109.02889	1.2
117.05516	11.4
127.03957	5.8
136.54730	0.8
145.04994	3.8
162.49095	0.8
202.69067	0.7
214.04796	0.7
229.10828	1.3
243.08672	1.7
247.11797	0.9
261.09677	14.8
305.47794	0.9
345.15411	6.6
363.16425	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01873	0.7
56.18893	0.5
58.06598	1.2
69.03417	4.0
69.07064	0.6
70.06588	1.4
71.04977	0.6
81.03428	8.1
81.07085	0.7
85.02902	11.0
85.06525	0.8
86.73694	0.7
97.02897	5.0
99.04457	100.0
109.02865	2.9
117.05502	10.4
124.33834	0.6
127.03914	7.7
136.06203	9.6
137.04825	0.7
145.04971	3.8
153.12697	0.7
210.58286	0.7
211.09695	0.8
243.08638	1.2
247.11629	0.7
261.09674	13.4
265.12823	1.4
273.76651	0.9
345.15414	4.9
363.16617	4.5
368.11234	0.8
410.20242	1.4
519.49561	0.7
542.23059	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
54.74696	0.3
57.03417	0.4
61.02903	0.4
69.03427	3.1
71.04994	0.7
80.57212	0.3
80.96631	0.4
81.03410	6.7
83.78713	0.4
85.02903	7.9
85.06557	0.6
93.07014	0.5
97.02897	4.6
99.04453	100.0
103.07552	0.6
109.02892	2.6
109.06496	0.4
113.06008	0.5
117.05489	11.7
120.08079	0.4
121.06565	0.4
123.08064	0.4
127.03907	4.2
135.11716	0.6
136.06189	0.6
145.04959	3.7
145.23650	0.4
153.12888	0.4
226.29808	0.4
229.10661	1.6
240.33646	0.4
243.08652	1.8
245.44067	0.5
247.11987	1.3
261.09665	13.2
265.12814	0.8
318.52063	0.4
345.15369	5.4
363.16418	5.0
423.14969	0.5
443.09515	0.4
445.57986	0.4
542.23126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20755	2.2
55.05514	3.0
57.14034	2.1
67.05518	3.6
69.03435	2.6
69.07065	2.0
79.05491	15.2
79.05879	1.8
81.07043	4.2
83.04951	2.9
83.08618	2.3
85.02905	10.8
91.05470	9.9
93.07038	57.7
95.04919	2.2
95.08604	10.3
98.46582	1.9
99.04434	2.6
105.07027	36.1
107.08590	80.3
109.10170	3.1
114.66316	2.2
119.04962	2.6
121.10039	1.9
133.06483	42.2
135.11685	38.4
141.85435	2.1
142.29056	2.3
153.12781	4.5
161.05952	100.0
167.07011	4.9
168.13855	2.7
189.06747	2.2
193.08604	64.2
206.14209	2.4
227.35487	2.2
290.08221	3.7
304.05917	3.9
318.07611	5.2
319.08383	27.8
320.09161	28.7
327.19452	8.9
332.09134	9.1
332.20761	4.4
333.09937	3.3
334.10657	52.3
336.12216	8.5
348.12119	3.3
350.06284	3.6
397.29529	2.1
439.12070	3.5
440.12863	2.7
470.06775	2.8
486.36243	2.5
533.65973	2.7
542.18127	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05622	1.1
61.02993	1.1
66.97472	1.0
67.05500	3.1
69.07047	1.5
79.05461	1.6
81.07052	2.6
86.09718	23.3
92.20956	1.7
93.07084	1.7
97.12915	1.2
100.96236	1.4
104.10745	100.0
107.08616	2.0
109.10192	1.4
123.11712	1.3
146.98172	20.4
146.99010	1.3
249.01405	1.3
332.09296	5.2
337.27573	2.8
348.12265	19.7
423.85760	1.4
483.24799	29.3
542.19275	2.3
542.32214	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.8
57.03441	7.1
62.55680	0.9
67.05500	13.6
69.07075	11.1
71.07373	2.2
79.05499	4.1
81.07057	18.7
83.08627	9.2
85.59738	0.9
86.09710	33.0
91.05468	1.3
93.07043	6.3
95.08608	16.0
97.10182	5.4
104.10761	1.3
105.07070	1.1
107.08642	3.6
109.10172	7.8
119.08602	1.9
121.10168	2.3
123.11720	2.4
133.10118	1.5
135.11693	1.6
137.13301	1.1
146.98180	62.1
147.11697	1.6
161.13301	1.4
170.58105	1.0
193.45210	1.0
318.73236	1.1
320.48254	1.1
337.27481	9.5
483.24835	33.6
542.32178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81079	1.0
60.08167	14.8
69.00484	1.6
71.07359	2.1
75.93826	1.1
79.05486	1.7
79.70929	1.1
86.09705	43.3
95.08626	1.9
98.98459	2.2
104.10742	85.9
109.32602	1.4
124.99986	20.8
184.07335	100.0
213.72131	1.4
252.72598	1.4
320.08981	5.9
405.96423	1.3
524.31262	2.3
542.32404	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	5.7
66.67226	0.3
69.89600	0.3
71.07367	0.6
86.09708	25.8
103.01496	0.3
104.10721	2.8
125.00002	15.0
153.69125	0.4
184.07336	100.0
195.32278	0.3
210.50240	0.4
221.45061	0.3
223.22295	0.4
233.05536	0.4
524.31110	1.3
526.14905	0.4
542.32446	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87805	0.6
51.05992	0.5
58.06598	1.2
58.99585	0.6
60.08168	13.8
60.96500	0.5
62.33949	0.6
68.05033	1.0
69.05807	1.4
80.92518	0.5
81.07062	1.1
82.25699	0.6
93.15496	0.6
94.62830	0.7
100.02208	1.2
126.02482	11.7
127.03259	60.9
143.02766	1.1
145.04306	5.4
149.13283	0.9
150.44514	0.6
157.06627	1.5
159.11714	0.7
171.02170	0.7
185.09811	100.0
186.10597	30.9
195.13896	0.7
230.09502	2.4
290.08142	0.7
308.05435	1.2
318.07916	1.0
319.08359	3.7
320.08923	1.1
323.07913	3.1
334.10663	8.2
336.12262	1.2
338.10257	0.9
480.14664	0.8
494.12244	3.9
498.33606	60.1
508.14468	5.5
524.17035	1.5
542.18451	13.0
542.32526	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	5.3
53.19709	0.7
53.59516	0.7
55.05516	1.6
56.19185	0.8
57.03436	1.4
60.13923	0.6
67.05509	12.3
69.03424	4.4
69.07065	2.6
70.56120	0.7
71.04964	0.8
73.02904	0.9
74.28384	0.6
78.38435	0.6
79.05489	5.9
81.03416	12.1
81.07056	13.6
83.08626	1.6
85.02914	8.3
85.03387	1.0
91.05482	5.1
91.43855	0.7
93.07039	11.5
95.04971	0.7
95.08605	12.7
97.02906	0.9
97.06499	0.8
97.10189	1.1
99.04451	100.0
103.03947	25.0
105.07035	3.8
107.08592	9.0
109.10155	8.2
117.07018	1.3
119.08563	4.8
121.06519	2.9
121.10131	10.4
123.11690	1.4
131.03378	1.7
131.08578	4.3
133.10120	3.8
135.11687	9.9
137.13182	0.9
145.10146	4.1
147.11681	3.4
149.04474	6.8
149.13248	4.5
156.81851	0.7
157.10193	0.9
158.26649	0.7
159.11639	3.3
161.13280	2.8
163.14774	1.3
173.13297	3.5
187.14833	1.2
203.80148	0.7
229.07024	16.6
243.21031	3.7
247.08157	3.2
259.20395	0.9
261.22134	17.4
345.27780	1.5
348.43747	0.9
369.24152	2.9
372.93378	0.7
374.91501	0.7
387.25003	1.4
405.26227	2.9
409.25830	4.3
422.55338	0.7
507.29297	4.3
525.30634	0.9
541.94690	0.9
542.33795	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	20.4
61.02910	3.9
64.20190	3.7
64.20682	3.6
65.57782	3.9
67.05216	5.3
67.05514	70.4
69.03420	27.1
69.07068	28.1
71.04988	5.5
79.05496	35.9
81.03422	24.4
81.07059	100.0
83.05006	6.9
83.08604	10.4
85.02908	52.1
85.06544	18.3
91.05479	32.3
92.21128	14.3
93.07057	70.2
94.58750	4.1
95.04965	7.2
95.08597	76.7
97.02895	25.9
97.06516	7.4
97.10136	6.2
99.04437	21.9
99.69943	4.7
101.49789	4.6
105.07027	41.8
107.08608	49.1
109.02876	18.0
109.10132	47.5
111.04442	5.7
117.06991	16.0
119.08611	36.8
121.10138	54.7
123.08056	8.0
123.11707	9.3
127.03936	6.1
131.08594	29.7
133.10121	38.4
135.11693	35.8
137.19574	4.5
145.10155	22.4
147.11668	25.2
149.13210	21.3
159.11670	25.0
161.13289	24.5
171.11685	5.9
173.13260	20.2
183.11690	9.6
250.12029	4.5
261.22046	18.1
279.23227	10.9
303.23123	9.0
335.46115	4.7
345.27704	18.9
363.28796	6.9
369.24142	19.8
387.25342	21.0
405.26331	28.4
423.27365	10.8
459.54138	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64840	13.8
63.80951	14.3
67.05508	100.0
69.03427	69.2
69.07059	20.4
70.19321	12.4
70.37240	12.8
79.05497	34.6
81.03425	21.6
81.07067	83.9
85.02913	24.7
86.09644	17.3
91.05482	17.8
93.07056	74.0
95.08613	95.4
104.74807	13.6
105.07041	22.0
106.28988	14.9
107.08586	76.1
109.10162	62.2
119.08608	19.8
121.10115	35.5
131.08531	25.8
133.10144	24.6
135.11717	19.1
145.10136	26.6
164.54092	16.5
199.62186	19.2
387.25034	32.7
405.26602	27.4
423.27402	36.6
430.81485	18.8
559.91797	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09396	0.6
54.47628	0.4
54.68932	0.4
56.05040	3.7
61.31031	0.4
65.66508	0.5
67.05502	2.2
69.07065	1.3
75.09489	0.5
79.06252	0.5
83.08619	1.0
92.20936	0.8
95.08622	1.1
109.10179	7.8
110.09686	0.7
111.11740	0.9
135.11702	0.8
136.11215	1.1
137.09636	2.6
140.10687	1.2
152.14429	0.7
153.12761	0.8
153.13902	4.0
154.12274	100.0
156.10191	0.9
157.13348	2.1
166.65068	0.6
171.14926	47.7
172.13226	0.6
182.15388	3.1
195.18675	0.6
196.16968	11.6
198.14906	2.2
199.18082	0.7
213.09421	0.6
213.19685	2.4
291.20682	1.1
292.19089	0.6
309.21838	3.3
318.07727	0.7
319.08432	3.9
327.22784	29.6
333.25449	3.4
334.10840	4.9
334.23843	1.1
336.12134	2.8
341.24335	2.4
351.26227	4.4
369.22760	1.1
369.27493	33.4
383.28574	0.7
385.59641	0.6
542.18805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.3
57.03452	3.5
66.17305	3.0
67.05509	28.9
67.05805	3.1
67.58755	2.9
69.07067	13.6
75.08144	3.0
79.05490	8.2
81.07059	33.7
83.08613	20.1
89.06007	4.4
93.07079	7.3
95.08609	29.0
97.10170	67.1
105.07012	3.3
107.08601	22.9
109.10164	7.9
123.11700	5.2
125.09636	77.3
135.07970	4.8
137.13176	3.2
159.27254	3.6
175.73360	3.2
189.11194	29.6
227.12781	68.7
245.13809	34.3
323.10342	3.3
337.27313	19.7
507.36853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32852	1.1
51.95165	1.1
55.05512	28.2
55.34246	1.4
57.03440	11.5
57.07070	1.7
61.79358	1.2
67.05180	2.5
67.05511	37.9
69.03407	2.8
69.07072	19.8
71.08646	1.3
79.05483	15.3
81.07059	41.3
83.04975	2.1
83.08624	36.2
86.09706	1.4
86.17654	1.3
91.05489	3.2
92.36860	1.3
93.07042	11.9
95.08607	30.5
97.10173	81.3
101.09628	1.4
105.07011	2.6
107.08588	21.2
109.10144	18.7
111.08073	2.7
119.08595	5.3
120.08150	2.4
121.10136	7.0
123.11720	5.2
125.09630	100.0
133.10062	4.6
135.08063	10.1
135.11769	2.2
143.10715	2.2
147.11656	3.3
153.04805	1.3
153.09085	3.0
161.13225	1.6
163.14806	1.9
171.10175	10.1
175.14737	1.7
189.11220	50.1
195.42390	1.5
227.12758	91.2
235.28349	1.5
245.13817	96.0
263.23816	5.1
337.27338	73.3
355.11591	1.4
458.16599	1.5
507.29703	2.9
507.36774	62.5
529.64362	1.7
562.23169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59116	0.6
92.53061	0.7
116.01022	0.6
134.35257	0.6
171.74097	0.6
191.97446	0.6
203.60901	0.7
208.97208	4.2
233.08708	0.7
343.63776	0.7
371.02640	5.6
373.02814	0.7
381.07913	3.2
543.13232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32450	0.6
51.21967	0.6
59.43467	0.6
64.98853	0.6
67.89085	0.7
69.03430	1.4
71.45013	0.6
73.19173	0.6
81.03431	0.7
85.02909	7.2
86.90685	0.7
97.02888	0.7
120.85505	0.7
127.03922	2.8
135.04388	0.9
145.04919	2.6
153.05510	1.7
227.03963	0.9
231.03526	1.0
243.66096	0.8
245.05077	2.7
253.05684	0.8
299.06018	0.9
337.07718	0.9
340.57578	0.8
351.07733	0.7
381.08139	3.0
543.13214	100.0
563.14581	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89907	1.1
57.83754	0.9
83.00505	1.0
112.05080	1.4
121.06492	28.7
150.09218	1.5
162.07690	1.4
212.20923	1.0
217.93057	1.1
244.89879	1.1
282.13370	25.7
300.14407	13.6
381.07962	4.9
393.60904	1.2
520.93005	1.4
543.13257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77233	0.3
55.13581	0.2
60.32490	0.2
75.76269	0.2
92.21554	0.4
113.83279	0.3
114.03397	0.3
146.73366	0.3
172.03925	9.9
190.04984	100.0
218.04466	4.4
298.10709	0.6
308.09384	0.3
318.07590	0.5
319.08212	1.3
320.08813	1.1
324.08511	0.4
334.10727	2.3
335.11011	1.2
370.09280	2.1
439.10342	0.3
454.12415	0.3
543.13934	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39623	0.3
61.63496	0.3
66.09665	0.3
103.77421	0.4
114.03454	0.4
134.53464	0.3
136.60828	0.4
139.42140	0.4
172.03911	9.0
190.04988	100.0
211.82298	0.3
218.04475	5.3
261.28442	0.4
290.08249	0.5
298.10895	1.3
306.27563	0.4
308.09219	0.4
319.08429	2.8
320.08893	0.6
334.10721	5.7
335.11102	2.0
336.12378	0.6
370.09271	2.5
543.13959	39.8
543.21124	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79609	0.6
52.82777	0.6
52.89326	0.6
54.75027	0.6
55.01554	0.5
58.23371	0.7
69.03435	0.6
70.06590	1.5
82.58871	0.8
84.08157	0.8
85.02898	1.3
88.88741	0.6
97.02916	1.2
99.04485	1.1
280.29980	0.9
286.47104	0.7
310.09576	0.8
363.09753	3.1
393.14545	0.6
543.14752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56030	0.4
60.97389	0.5
63.13125	0.6
79.05550	0.5
81.03444	0.6
85.02917	1.0
85.06541	2.3
95.85318	0.6
99.04453	10.5
117.05517	1.0
120.08109	0.7
134.83810	0.6
159.02261	0.5
167.15988	0.5
178.32758	0.6
202.20021	0.6
220.67453	0.5
245.36229	0.5
261.09756	0.7
411.15158	0.6
457.16083	0.7
543.14764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02596	0.7
55.05511	1.1
57.07060	0.8
60.40058	0.7
67.05511	1.6
69.07079	1.5
78.48699	0.7
79.05505	1.9
81.07076	5.7
83.08621	1.0
89.06626	0.6
90.14995	0.7
91.05481	1.0
92.42072	0.7
93.07040	4.5
94.78532	0.8
95.04953	0.9
95.08625	4.6
105.07056	1.1
107.08578	4.0
109.10184	0.7
119.08634	1.3
121.10145	3.5
131.08549	1.2
133.10139	1.1
135.11676	1.8
145.10117	1.0
147.11671	0.9
158.98834	0.8
173.13205	0.9
189.66211	0.9
267.12015	100.0
269.80399	0.7
339.44199	0.9
382.07376	0.8
415.73489	0.9
543.32324	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34381	0.2
57.07063	2.3
58.06623	0.3
59.92921	0.3
62.06096	3.1
67.05492	0.3
67.93141	0.2
71.08621	2.0
79.05530	0.3
81.07050	0.4
83.08630	0.4
85.10195	0.6
95.08575	0.4
97.10201	0.3
113.30641	0.3
133.10088	0.3
141.74422	0.3
147.28566	0.3
160.70181	0.3
167.53377	0.3
212.23734	3.9
230.24786	100.0
309.09760	0.3
321.10144	0.3
392.61963	0.3
439.43317	0.3
512.07465	0.3
543.68311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40794	0.5
53.54420	0.4
56.45670	0.5
57.81596	0.4
61.73227	0.4
64.71324	0.4
67.54436	0.5
170.02753	0.8
186.05875	0.6
211.77235	0.5
221.94572	0.5
290.08066	14.8
302.08096	4.1
304.02646	1.0
304.05988	13.9
318.07571	19.3
318.11090	0.9
319.08377	65.9
320.09177	1.2
334.10712	100.0
430.86261	0.5
544.12225	33.0
560.45160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21727	0.7
51.54167	0.8
63.60583	0.9
69.02222	0.8
75.04546	0.7
83.09400	0.9
110.88967	0.9
115.96340	1.0
130.07452	0.8
154.46126	1.0
160.30675	0.9
172.03990	1.1
173.57162	1.0
190.05006	19.9
280.28247	0.8
292.05936	4.0
306.07706	1.6
318.07523	1.5
320.09091	1.4
334.07092	1.4
334.10947	1.2
336.08704	11.6
336.12442	1.5
337.06229	1.0
341.06418	6.6
364.08121	19.4
409.10059	1.2
410.10251	18.0
436.73090	0.9
438.09711	18.2
439.10452	4.7
440.11322	1.3
452.07141	1.4
454.09167	9.9
467.10031	3.6
469.11221	0.9
470.08551	1.6
482.08588	4.9
484.10168	5.8
485.10889	6.9
486.11963	2.1
498.12482	9.1
500.13510	4.5
513.10284	5.4
516.16302	4.5
544.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
78.32674	1.1
127.44185	1.1
187.07916	1.1
190.04988	17.2
289.22983	1.2
292.06036	1.9
318.07498	1.3
320.09238	1.3
326.19919	1.2
334.10645	1.6
336.08621	10.5
336.12225	2.3
341.06485	5.4
352.08139	5.5
364.08118	15.3
367.10410	1.9
380.09052	1.1
410.10236	13.9
438.09769	14.7
439.10275	2.3
454.09238	6.0
467.10043	2.6
482.08844	4.4
484.10132	7.3
485.10660	5.8
498.12805	8.0
513.10620	4.2
544.12341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09290	0.7
65.37295	0.6
66.13215	0.7
68.98013	1.0
71.31116	0.7
74.17522	0.7
95.58909	0.6
96.80889	0.6
139.37341	0.7
147.84027	0.8
172.03886	2.9
190.05006	16.5
239.38229	0.7
271.37164	1.0
292.06146	3.5
305.06726	1.5
306.07703	1.5
318.07574	1.6
319.08356	3.1
320.05688	1.7
320.09116	10.1
334.07080	1.4
334.10602	8.5
336.08624	13.9
336.12219	3.7
341.06387	5.5
348.08499	0.9
352.08075	1.0
364.08173	14.6
380.09113	0.9
394.10925	0.8
408.08966	1.0
409.09320	0.8
410.10211	17.8
420.08173	0.9
436.08200	0.9
438.09628	16.2
439.10492	5.3
452.07541	1.4
454.09143	8.1
456.10718	1.3
466.08981	1.6
467.09763	2.9
470.08762	1.3
482.08728	4.0
484.10226	7.0
485.11108	6.4
498.12543	8.6
513.10388	3.4
544.12244	100.0
544.22974	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
87.46685	0.9
117.26418	1.1
172.03920	1.4
190.04977	20.1
199.03030	1.1
257.10086	1.2
290.08112	5.8
292.06137	1.9
304.06055	2.3
318.07690	10.0
319.08398	24.8
320.09033	4.3
334.07214	3.3
334.10724	70.1
336.08627	10.9
336.12140	5.3
338.13992	1.0
341.06412	4.9
364.08124	19.5
368.18640	1.2
410.10199	19.8
436.08170	2.3
438.09872	15.1
439.10464	4.2
454.09131	8.4
467.09760	1.7
469.11700	1.6
470.08636	2.4
482.08472	4.2
484.10178	8.3
485.10733	6.8
498.12527	9.3
513.10315	1.9
528.16644	1.7
544.12274	100.0
544.18732	4.0
544.25000	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40794	0.5
53.54420	0.4
56.45670	0.5
57.81596	0.4
61.73227	0.4
64.71324	0.4
67.54436	0.5
170.02753	0.8
186.05875	0.6
211.77235	0.5
221.94572	0.5
290.08066	14.8
302.08096	4.1
304.02646	1.0
304.05988	13.9
318.07571	19.3
318.11090	0.9
319.08377	65.9
320.09177	1.2
334.10712	100.0
430.86261	0.5
544.12225	33.0
560.45160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93810	0.3
54.84520	0.3
59.25929	0.3
71.72296	0.3
74.21119	0.3
76.15091	0.3
80.46561	0.3
91.75212	0.3
92.13603	0.4
110.57973	0.3
118.76839	0.3
121.23646	0.3
196.46257	0.3
264.10257	0.3
290.08066	1.2
292.09698	5.1
302.07932	0.3
304.05978	0.7
314.02338	0.4
318.07620	1.7
319.08441	2.9
320.09174	100.0
334.10666	5.3
349.05811	1.5
354.99020	0.3
364.08154	1.3
382.09137	2.1
544.15967	3.2
561.53174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86495	0.4
83.87607	0.4
86.94221	0.4
93.11476	0.5
126.78915	0.5
191.61630	0.5
225.82312	0.5
233.91704	0.5
263.09503	2.1
264.10388	0.5
278.08371	0.7
279.08948	9.5
279.12537	3.4
291.08850	2.8
292.09744	4.0
293.06909	2.2
294.11188	0.6
307.08444	4.5
307.12057	17.3
308.09122	7.6
319.08203	0.5
320.09186	3.6
321.09854	0.6
323.11511	25.2
334.10733	1.1
336.12323	2.1
425.12802	0.6
445.16217	0.6
470.12030	0.7
483.12787	1.2
486.11801	3.9
500.13397	19.4
512.13403	7.3
514.11316	17.7
528.12891	27.0
529.13776	11.8
542.79779	0.5
544.15985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
76.54916	0.7
99.77126	0.5
101.06011	0.6
105.16698	0.7
113.08063	0.6
174.05423	0.6
190.05032	2.7
209.15887	0.6
216.60966	0.6
217.36920	0.7
245.26323	0.6
290.08029	1.4
291.08603	0.8
304.06003	2.3
306.07605	2.8
318.07660	2.9
319.08340	7.6
320.08978	4.0
321.09613	1.1
322.10480	0.8
334.06924	6.7
334.10678	18.1
335.11081	5.0
336.12149	2.4
349.09344	5.8
350.10220	1.2
352.09073	0.7
352.15286	0.8
355.08453	1.0
371.11581	1.2
372.87329	0.6
387.10635	0.9
402.13330	5.3
408.08453	0.7
410.10168	0.7
426.09329	2.5
430.12402	0.9
438.09558	1.0
440.11240	3.1
442.12811	1.3
454.08139	5.3
458.12292	19.1
466.08881	0.9
468.10568	3.6
469.12018	1.1
470.12161	3.8
471.61734	0.6
482.08380	1.0
484.13733	3.8
486.11722	7.3
496.10040	1.0
498.11774	7.6
500.12552	1.8
514.10449	5.1
528.13214	3.5
544.15857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40575	0.7
51.65391	0.6
51.65646	0.5
51.86257	0.7
57.76299	0.7
85.16692	0.7
142.04076	0.7
177.72392	0.7
190.05038	1.5
263.09390	3.2
278.07913	0.9
279.08847	10.4
279.12369	2.9
291.09073	1.1
292.09680	5.3
293.06714	1.3
307.08359	6.0
307.12015	15.2
308.09213	8.1
320.09171	16.8
321.09637	0.9
323.11493	24.0
334.10577	1.7
336.12323	6.7
348.79782	0.9
483.13297	1.2
486.11707	3.7
500.13373	19.6
512.13428	7.3
514.11151	15.2
528.12842	24.0
529.13678	9.1
544.15900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51894	1.1
67.05515	1.4
82.34975	1.3
85.55593	1.2
88.20148	1.7
97.22663	1.3
99.55124	1.5
109.23360	1.4
138.47868	1.6
290.07877	1.6
319.08463	2.4
320.09055	2.3
334.10657	10.5
336.12286	12.2
364.08136	2.4
409.09445	2.6
422.10202	6.2
427.10492	2.8
438.09503	2.2
439.10556	5.9
442.13196	15.9
452.11139	6.6
454.12872	26.4
455.10190	2.8
470.12482	24.7
484.13953	9.9
486.11462	2.7
496.10205	2.0
514.11255	24.5
529.13660	7.6
544.15948	100.0
544.22638	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36498	0.5
74.12399	0.4
77.42829	0.4
86.88011	0.4
92.20869	0.4
108.27419	0.4
119.33517	0.5
187.62160	0.4
263.09436	7.0
269.08142	0.4
278.05038	0.5
278.08115	31.4
291.08893	100.0
292.09668	28.2
292.12952	0.9
306.07593	24.0
307.08414	3.0
318.07700	5.1
319.08423	1.7
320.09119	3.2
334.10767	2.4
335.11261	0.6
336.12262	0.6
388.09946	0.5
442.12927	0.7
456.14185	1.1
468.10406	0.5
482.08887	0.9
496.10156	3.5
512.13275	4.8
539.35260	0.5
544.16003	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14745	0.6
56.29142	0.7
60.18386	0.6
60.88144	0.6
62.83604	0.6
75.63710	0.7
77.95713	0.6
93.06997	0.8
98.27753	0.8
105.07045	0.8
154.17798	0.7
166.76921	0.7
263.09460	1.4
279.08945	9.2
279.12524	3.1
291.08984	3.3
292.09705	4.2
293.06659	1.1
307.08441	4.9
307.12057	16.8
308.09140	6.6
308.12390	0.9
318.07587	0.8
320.08990	4.7
321.09995	4.4
322.10495	2.7
323.11490	25.6
334.10779	2.9
336.12372	12.2
337.12778	6.2
358.10397	0.8
472.82422	0.7
486.11847	3.4
500.13403	20.8
512.13300	6.0
514.11304	16.3
517.16608	0.8
528.12860	25.1
529.13757	10.3
544.15991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84732	0.5
54.08385	0.7
59.45121	0.6
60.02870	0.5
79.20009	0.6
147.12637	0.7
151.03960	0.7
167.07016	1.0
168.15762	0.7
244.63879	0.7
254.80836	0.8
278.08200	5.3
290.08081	10.5
302.08191	4.0
304.06027	9.0
306.07556	2.4
318.07611	13.2
319.08383	53.2
320.09097	15.6
321.09866	2.9
322.10651	3.6
334.10727	100.0
335.11246	4.2
336.12302	17.2
349.09579	1.5
350.10104	3.1
440.11237	0.9
468.11057	0.9
470.12317	1.1
484.14066	3.8
486.15460	1.2
496.13562	0.9
499.16101	0.9
500.16669	1.1
510.15488	2.7
514.15289	1.2
528.15924	3.7
544.15393	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84732	0.5
54.08385	0.7
59.45121	0.6
60.02870	0.5
79.20009	0.6
147.12637	0.7
151.03960	0.7
167.07016	1.0
168.15762	0.7
244.63879	0.7
254.80836	0.8
278.08200	5.3
290.08081	10.5
302.08191	4.0
304.06027	9.0
306.07556	2.4
318.07611	13.2
319.08383	53.2
320.09097	15.6
321.09866	2.9
322.10651	3.6
334.10727	100.0
335.11246	4.2
336.12302	17.2
349.09579	1.5
350.10104	3.1
440.11237	0.9
468.11057	0.9
470.12317	1.1
484.14066	3.8
486.15460	1.2
496.13562	0.9
499.16101	0.9
500.16669	1.1
510.15488	2.7
514.15289	1.2
528.15924	3.7
544.15393	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08907	0.2
58.78506	0.2
77.17324	0.3
78.16392	0.3
78.86237	0.2
95.71145	0.3
99.61372	0.3
167.42493	0.3
189.04958	0.3
190.04913	0.3
191.08446	0.3
224.62553	0.3
268.33002	0.3
273.07822	0.3
276.06552	0.6
290.08102	10.9
302.08145	3.8
302.49222	0.3
304.06024	10.8
306.07617	0.5
306.11136	0.3
310.07208	0.4
318.07599	15.3
319.08383	57.5
320.09094	3.3
322.10837	0.4
325.09543	1.2
326.08292	0.2
334.10709	100.0
335.07755	0.3
335.11450	1.2
336.12357	2.0
340.11664	1.0
350.10068	1.0
350.13745	1.0
364.08026	1.2
381.66318	0.3
466.07794	0.4
513.21844	0.3
544.15656	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25311	0.6
66.26006	0.7
68.57439	0.9
100.31588	0.7
107.13202	0.9
112.45148	0.8
165.27103	1.0
263.09396	8.4
278.08118	31.9
279.11658	0.9
291.08896	99.2
292.09665	36.5
301.19324	0.9
304.09653	2.8
306.07581	31.8
307.08350	1.5
318.07388	4.6
320.09164	22.1
321.09949	31.2
334.10654	3.3
336.12292	100.0
337.12723	1.0
457.63052	1.0
486.14972	1.1
490.30869	0.9
496.10138	1.5
500.16757	3.4
512.12811	4.1
514.14392	3.2
528.15717	4.1
528.49390	1.0
544.15625	69.1
544.37634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
72.73028	0.3
106.54595	0.3
112.61703	0.3
164.08722	0.3
164.77908	0.2
210.20970	0.3
234.87315	0.3
290.08057	0.4
292.09647	5.1
310.07199	0.3
318.07465	1.2
319.08350	0.6
320.09158	100.0
325.09454	1.5
334.10925	0.4
340.11911	1.2
395.53241	0.3
477.86322	0.3
539.52850	0.3
544.16437	3.2
550.53589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26196	0.7
91.94495	0.7
99.24031	0.6
105.70579	0.7
107.33493	0.7
109.59169	0.7
110.07614	0.7
117.28580	0.7
128.75136	0.7
137.17909	0.6
158.91458	0.6
164.34781	0.8
173.54605	0.6
196.70291	0.8
290.08109	11.7
299.55527	0.7
302.07944	2.6
304.06061	12.2
306.07779	4.6
318.07611	14.8
319.08383	61.3
320.05554	1.5
320.09131	22.8
334.10724	100.0
336.08563	1.2
336.12421	1.2
350.06470	0.8
364.08228	7.3
470.11789	0.9
526.13550	1.4
544.15845	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28190	0.6
54.93589	0.8
57.07994	0.7
59.54675	0.6
60.41073	0.6
60.64470	0.7
86.54855	0.7
89.12038	0.7
111.11243	0.8
118.93240	0.8
138.85793	0.7
145.02808	3.2
150.66505	0.8
159.08026	0.7
161.56306	0.8
164.45863	0.7
172.16006	0.8
175.64024	0.9
177.05461	12.6
195.06609	1.6
290.08093	12.1
302.07999	1.7
304.05994	10.9
318.07562	17.8
319.08392	59.6
320.09183	6.0
334.10709	100.0
357.09167	0.9
364.08243	1.2
421.60083	0.9
454.12833	1.1
489.21829	0.9
544.16083	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
80.27788	0.3
94.09877	0.4
111.24594	0.3
112.37679	0.3
116.60390	0.4
133.07593	0.3
173.01123	0.3
195.36681	0.4
234.66583	0.3
290.08112	11.8
290.11322	0.5
302.08109	3.8
304.06024	11.7
318.07596	15.9
319.08380	60.2
320.08850	0.5
334.10715	100.0
339.58972	0.4
368.11035	0.6
544.15814	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52528	0.2
79.68639	0.3
80.44355	0.3
85.12267	0.2
97.69460	0.2
133.08597	0.2
136.20543	0.2
288.06345	0.2
290.08160	3.5
292.09607	4.1
302.08148	0.9
304.06052	2.5
312.28442	0.2
316.06009	0.2
318.07623	4.6
319.04626	0.5
319.08395	16.6
320.09164	100.0
334.10727	31.7
437.55557	0.2
487.19150	0.3
487.26752	0.2
544.19971	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88736	0.6
55.39294	0.6
55.47867	0.5
70.49532	0.6
73.57388	0.7
83.82210	0.7
85.26926	0.6
137.78169	0.8
190.04904	5.0
190.62497	0.8
263.09448	8.4
278.08105	31.5
291.08887	100.0
292.09671	33.3
304.09344	1.0
306.07578	26.9
307.08179	1.3
318.07327	4.7
319.08133	1.0
320.09180	15.6
321.09927	17.0
322.10168	1.1
334.06891	1.3
334.10593	1.5
335.11301	0.8
336.12277	53.8
451.10065	0.9
470.12186	1.5
486.15091	1.4
496.09912	1.6
500.16449	3.9
512.13062	5.4
514.15002	5.2
527.40997	1.0
528.16553	9.5
544.15540	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13062	0.3
56.92900	0.3
73.86621	0.3
75.36106	0.3
96.22623	0.3
107.77089	0.4
153.10561	0.3
163.19392	0.4
190.05011	1.3
276.06476	0.5
277.07458	0.5
290.08105	12.1
292.09702	0.4
302.08069	3.3
304.06009	11.9
306.07623	1.9
318.07584	14.8
319.08383	62.5
320.05576	0.9
320.09085	13.3
322.10294	0.4
334.10718	100.0
336.12256	1.5
364.08167	8.5
382.09454	0.7
526.13818	1.5
544.15894	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26196	0.7
91.94495	0.7
99.24031	0.6
105.70579	0.7
107.33493	0.7
109.59169	0.7
110.07614	0.7
117.28580	0.7
128.75136	0.7
137.17909	0.6
158.91458	0.6
164.34781	0.8
173.54605	0.6
196.70291	0.8
290.08109	11.7
299.55527	0.7
302.07944	2.6
304.06061	12.2
306.07779	4.6
318.07611	14.8
319.08383	61.3
320.05554	1.5
320.09131	22.8
334.10724	100.0
336.08563	1.2
336.12421	1.2
350.06470	0.8
364.08228	7.3
470.11789	0.9
526.13550	1.4
544.15845	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17384	0.3
50.48724	0.3
55.32211	0.3
67.15327	0.3
91.47505	0.3
101.66415	0.3
110.91511	0.3
164.55663	0.3
175.03981	0.5
193.05048	0.5
195.25034	0.3
205.13174	0.4
213.51320	0.4
263.09436	2.0
264.10165	0.6
265.07605	0.5
278.08090	0.8
279.08926	10.0
279.12527	2.7
280.09454	0.5
284.17062	0.4
291.08856	6.2
292.09723	5.4
293.06949	2.4
294.11221	0.4
306.07553	0.7
307.08408	4.4
307.12067	15.6
308.09171	9.1
308.12448	0.6
309.09836	0.4
318.07819	0.5
320.09146	10.6
320.12701	0.6
321.09949	0.7
322.07162	0.6
323.11502	21.8
324.12128	0.4
334.10745	0.8
336.12418	1.7
337.12686	0.5
471.34531	0.4
483.13120	0.7
486.11523	2.8
499.12167	0.5
500.13361	17.3
512.13361	6.2
514.11279	14.3
515.12286	0.6
528.12854	22.0
529.13660	11.1
544.15991	100.0
552.56976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96937	0.2
60.19274	0.2
63.42667	0.2
83.34945	0.2
174.74237	0.3
190.04919	0.2
268.52145	0.2
276.06522	0.3
278.07996	0.4
289.07352	0.4
290.08109	11.8
302.08112	3.5
303.08707	0.4
304.06006	10.1
306.07632	0.4
306.11090	0.4
308.09344	0.3
318.07581	14.3
319.08377	58.3
320.09097	3.2
322.10721	0.3
329.84476	0.2
334.10715	100.0
335.10889	0.4
336.12280	10.4
374.47675	0.3
544.15826	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49518	0.3
51.89246	0.4
54.80970	0.4
74.62629	0.3
79.22096	0.4
79.26015	0.5
99.04454	0.4
105.13178	0.4
107.74392	0.4
128.95734	0.5
129.42940	0.4
190.71034	0.5
233.55739	0.5
246.27797	0.4
276.06454	0.7
290.08063	12.5
302.08173	3.4
304.06076	11.1
318.07584	16.4
319.08380	61.5
323.17154	0.5
334.10718	100.0
337.12714	0.8
544.15997	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85779	0.3
80.09950	0.3
109.68568	0.3
144.62953	0.4
154.37067	0.4
166.23895	0.3
183.67807	0.3
190.05070	0.8
276.06531	0.6
290.08112	10.4
299.42426	0.4
302.08029	3.9
304.06042	10.8
318.03857	0.5
318.07593	13.8
319.08395	55.9
320.05911	0.4
320.09235	2.2
334.10730	100.0
336.12247	2.2
349.05624	0.5
364.08289	4.0
382.08975	0.5
526.13422	0.6
527.36206	0.4
544.15881	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26196	0.7
91.94495	0.7
99.24031	0.6
105.70579	0.7
107.33493	0.7
109.59169	0.7
110.07614	0.7
117.28580	0.7
128.75136	0.7
137.17909	0.6
158.91458	0.6
164.34781	0.8
173.54605	0.6
196.70291	0.8
290.08109	11.7
299.55527	0.7
302.07944	2.6
304.06061	12.2
306.07779	4.6
318.07611	14.8
319.08383	61.3
320.05554	1.5
320.09131	22.8
334.10724	100.0
336.08563	1.2
336.12421	1.2
350.06470	0.8
364.08228	7.3
470.11789	0.9
526.13550	1.4
544.15845	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19330	0.9
88.22260	1.0
161.22644	1.2
187.05423	1.2
190.04916	1.6
226.81580	1.1
290.08237	9.2
296.09329	5.3
302.08258	2.0
304.05939	8.1
310.07083	24.1
316.69122	1.1
318.07706	10.0
319.08423	47.7
320.09418	2.7
324.08621	2.2
325.09439	97.4
334.07101	3.6
334.10718	89.8
335.11499	1.8
336.12296	2.7
340.11795	72.9
350.13977	5.6
364.08121	18.9
520.95575	1.3
544.18365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14469	0.5
55.05516	0.7
57.06816	0.6
69.03436	1.5
70.06593	1.2
71.25356	0.6
82.80317	0.6
83.04988	8.7
84.08147	1.2
86.09705	1.5
95.62544	0.6
99.04445	0.8
111.04450	6.5
116.60077	0.8
123.04399	1.3
133.06075	1.0
137.06007	0.8
139.03958	1.3
146.08270	0.8
155.07057	0.8
183.06363	0.7
268.09738	5.4
283.15704	0.8
284.12750	1.6
294.07608	0.8
296.09189	23.8
296.12799	2.8
299.07642	0.7
311.11725	1.0
312.08704	10.8
313.09488	2.6
322.07123	6.1
323.07840	19.6
326.10257	4.7
327.11093	3.6
328.11826	1.1
337.09378	3.7
338.10217	11.1
354.09689	15.8
355.10480	34.2
355.14728	1.3
383.11566	0.7
469.13452	1.3
470.14655	1.1
484.15887	9.7
511.14841	3.2
544.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81532	0.5
57.12661	0.6
60.35809	0.6
73.37032	0.8
108.19357	0.8
108.62460	0.7
120.70152	0.7
144.59851	0.7
151.03835	1.0
177.05458	1.1
190.05037	4.7
194.86320	0.6
263.05643	0.7
290.08151	11.8
292.06195	1.6
292.09708	3.2
302.08163	3.4
304.06073	9.8
310.07297	0.9
318.07626	18.3
319.08386	55.6
320.05698	3.3
320.09164	61.8
321.06183	1.0
325.09482	3.2
334.10724	100.0
336.12405	1.5
340.11816	1.7
346.07098	1.1
349.05698	3.6
350.06555	1.1
364.08130	45.7
382.09348	1.0
526.12848	1.0
529.55176	0.8
544.20386	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99768	0.3
60.93383	0.3
63.72407	0.3
66.46003	0.2
71.66086	0.3
88.29108	0.3
90.35793	0.3
94.76568	0.3
114.09100	0.6
122.91535	0.3
130.05608	0.3
154.22038	0.3
181.04808	0.5
190.04865	0.5
219.89632	0.3
276.06613	0.4
290.08063	9.6
290.98367	0.3
292.09686	0.7
302.08075	3.1
303.08826	0.4
304.06039	10.1
307.08121	0.4
318.07632	14.6
319.08395	61.4
320.09164	9.4
321.09839	2.2
334.10730	100.0
336.12253	5.0
337.12576	0.4
364.08167	2.9
382.09296	0.4
499.34836	0.3
506.04831	0.3
544.19897	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29687	0.8
53.68229	0.8
57.03414	1.0
59.91741	0.8
60.08178	11.5
61.02444	0.8
61.08432	0.9
67.04240	6.0
69.03434	4.0
71.18001	0.8
81.03403	1.8
84.04520	1.1
85.02489	0.9
85.02904	8.4
87.04481	1.1
95.06110	12.8
97.02880	4.4
99.04430	2.3
99.64142	1.1
100.30896	1.0
109.02904	2.3
111.05569	6.2
113.01719	1.2
113.07104	1.4
121.06503	51.2
125.01707	21.3
126.02489	6.1
127.02310	2.0
127.03245	52.4
138.09138	12.7
143.02763	4.5
144.03505	1.2
145.04248	9.0
151.02023	1.7
154.83492	1.0
167.01648	4.5
168.02380	1.2
194.02748	2.2
197.78314	1.1
227.08234	1.7
228.08948	4.6
261.06921	31.3
279.07965	89.0
295.07550	4.7
297.09048	16.5
327.73581	1.0
338.15253	1.3
339.10159	1.3
382.14273	5.8
423.12238	1.6
441.12891	3.0
500.20599	100.0
544.19543	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
91.16409	0.5
94.90870	0.6
97.31390	0.6
248.47810	0.6
264.94470	0.6
290.08090	8.8
292.09549	4.8
302.07950	2.9
304.05981	8.1
306.07568	1.0
307.08621	0.8
318.07584	11.8
319.04639	1.1
319.08386	44.1
320.09158	100.0
325.09283	0.9
334.10706	77.7
336.12274	3.1
364.08218	3.0
443.84302	0.7
544.20142	32.3
556.77325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00761	0.5
58.16384	0.4
59.65210	0.5
67.39561	0.5
92.52787	0.6
129.88705	0.6
159.83603	0.5
163.36389	0.5
165.46957	0.6
167.07057	0.7
190.05006	3.3
221.99268	0.6
247.47618	0.7
290.08099	11.8
302.08151	2.7
304.06036	10.0
305.06787	0.9
318.07620	15.6
319.08362	57.3
320.05484	1.6
320.09106	16.3
320.61969	0.6
321.09726	1.2
322.10623	0.9
334.10709	100.0
335.07654	0.8
335.11288	0.8
336.12198	3.6
349.05652	1.4
350.10019	4.1
364.08139	17.5
526.13562	3.2
544.19037	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03499	0.5
98.53427	0.6
102.27285	0.6
127.30317	0.6
143.98848	0.6
190.05063	0.7
216.73717	0.6
219.99330	0.8
237.25644	0.7
290.08066	12.2
290.10843	0.7
302.08307	2.9
304.05994	10.7
305.97165	0.7
318.07620	15.7
319.02863	0.9
319.08386	55.9
320.09192	7.2
334.10730	100.0
356.31320	0.7
511.44174	0.8
544.19885	44.0
557.44324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28376	0.6
96.29570	0.6
110.24751	0.6
115.30734	0.6
155.02370	0.8
257.46356	0.7
265.79984	0.7
290.08044	13.4
292.09695	0.7
302.08209	4.1
304.06110	7.7
318.07596	17.6
319.08389	61.7
320.09134	15.8
334.10715	100.0
336.12546	0.7
544.19751	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1962
Annotation	Acrimarine B
Peak:m/z	Relative Intensity
52.27089	0.6
70.92693	0.7
72.55205	0.5
109.67670	0.5
114.61173	0.6
219.18419	0.6
265.21396	0.6
266.65427	0.6
329.06900	0.9
343.08475	1.0
356.05487	1.1
358.07040	47.1
359.07910	3.3
371.07916	5.7
373.09509	1.0
374.10233	11.4
382.07446	0.9
383.07565	0.9
385.05530	0.9
386.06027	1.1
386.10434	5.3
396.08481	1.1
400.08032	20.1
400.12360	1.0
412.07898	1.4
414.09680	0.9
418.09351	3.9
450.13495	1.0
464.15045	0.9
474.12601	0.7
480.17914	2.7
482.15869	3.6
492.14328	1.3
496.13861	3.8
500.16980	3.4
508.17572	4.1
510.15787	5.4
512.17798	0.9
514.14886	3.3
526.18390	14.9
528.16461	3.0
529.17151	0.7
544.19629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53739	0.4
56.70398	0.3
64.22775	0.3
67.75020	0.4
212.50807	0.4
212.97990	0.4
247.97075	0.4
250.08017	0.4
290.08127	7.7
292.09787	3.5
296.47882	0.5
302.08179	1.8
304.06024	9.0
318.07626	12.2
319.08383	49.3
320.09164	100.0
334.10715	78.0
387.86023	0.4
393.09171	0.4
544.19830	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08688	0.5
59.44715	0.4
67.30283	0.5
81.00318	0.5
106.44385	0.5
112.21926	0.6
116.12845	0.5
155.35408	0.5
189.15112	0.5
206.85040	0.5
220.71785	0.6
236.14539	0.5
278.08295	1.1
290.08313	0.6
291.09113	0.6
306.07883	1.4
306.11197	15.9
318.07623	1.9
318.11255	5.0
319.08316	2.9
320.05627	1.4
320.09137	25.1
321.09872	0.8
334.07147	2.1
334.10715	28.4
335.07797	7.0
335.11462	61.8
336.12283	2.4
350.10147	10.3
350.13870	100.0
486.47159	0.6
544.19983	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62729	0.2
77.82713	0.2
82.55152	0.2
102.17973	0.3
208.93497	0.3
262.95560	0.3
275.09372	0.4
278.08038	3.4
291.08884	1.5
292.09659	11.8
304.09659	2.3
306.07553	6.2
307.08267	0.5
320.06006	0.3
320.09143	15.6
321.09927	31.2
334.10571	0.4
336.12277	100.0
486.15530	0.2
500.16861	1.1
514.15106	0.4
528.16827	1.8
544.20239	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36365	0.3
62.08152	0.4
63.71536	0.3
84.67293	0.3
95.10989	0.3
97.62388	0.3
126.76253	0.3
179.60150	0.3
190.04971	0.4
196.53304	0.4
239.00661	0.3
276.06424	0.5
290.08090	10.1
302.08093	3.1
304.06018	9.8
306.07541	0.4
318.03876	0.4
318.07599	13.3
319.08377	49.6
320.09073	3.8
320.61905	0.4
321.09506	0.6
334.10709	100.0
335.11246	0.7
336.12061	1.2
350.10205	0.5
529.15869	0.4
544.20148	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03271	0.3
65.81265	0.2
68.19400	0.3
87.56743	0.3
135.15727	0.3
169.20569	0.3
278.08005	0.9
292.09665	12.1
304.09772	3.1
306.07599	4.0
318.07446	0.3
319.08517	0.5
320.09149	13.4
321.09949	32.3
323.11502	0.4
331.09308	0.3
334.10593	1.1
336.12289	100.0
337.12839	0.5
486.15396	0.5
500.17120	1.9
512.16376	0.4
514.15051	2.0
528.16388	3.1
529.17114	1.5
544.19763	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41230	0.4
75.27933	0.4
81.48071	0.5
128.19499	0.5
278.08078	14.6
290.46240	0.5
291.08875	3.2
292.09665	14.1
304.09750	0.9
306.07593	19.5
318.07651	1.1
319.08212	4.2
320.09137	17.7
321.06113	1.2
321.09937	32.4
334.10657	7.1
335.10971	2.1
336.12280	100.0
544.15857	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59573	0.2
58.77483	0.2
59.88073	0.2
63.56499	0.2
69.77345	0.2
92.21577	0.4
94.27241	0.2
107.07703	0.2
118.48709	0.2
127.73723	0.2
153.11455	0.2
195.83879	0.2
275.09326	0.3
278.07928	0.3
291.08789	0.2
292.09653	12.8
304.09689	2.4
306.07581	4.0
319.08221	0.9
320.09137	15.5
321.09949	30.9
330.17252	0.2
334.10614	0.9
335.11282	0.5
336.12280	100.0
507.39172	0.2
529.13159	0.3
544.19470	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51658	0.5
84.92976	0.5
120.05594	0.7
136.90936	0.6
161.93979	0.6
234.64906	0.7
278.08139	1.1
286.68674	0.6
290.08127	1.2
292.09613	3.0
304.09540	0.8
306.04489	0.8
306.07590	5.8
306.11230	6.7
308.12695	0.9
318.07574	5.3
318.11038	1.3
319.08340	7.3
320.05521	5.8
320.09131	26.0
321.09851	6.1
334.06992	8.7
334.10715	22.7
335.07776	27.9
335.11502	21.6
336.12265	100.0
350.10110	47.5
350.13901	32.7
538.35187	0.7
544.18762	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.197
Annotation	Acrimarine B
Peak:m/z	Relative Intensity
66.49400	1.4
90.20779	1.6
93.07063	3.1
107.08640	1.5
147.19843	1.6
181.08656	1.7
192.54716	1.9
200.49185	1.5
290.08252	6.8
291.08734	1.7
292.09827	8.5
294.11459	2.0
304.06039	3.3
306.11154	2.2
307.08594	3.3
308.09467	1.9
318.07803	10.7
319.08392	47.5
320.09094	37.9
321.09760	16.7
322.10785	7.1
323.11685	6.6
334.10733	100.0
335.11298	11.8
336.12262	58.5
338.14151	2.6
352.22818	2.0
454.12958	1.8
486.15500	5.9
500.17188	24.5
511.15366	1.9
512.17383	3.8
514.15155	18.2
528.16711	25.9
529.17523	3.1
544.19818	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38440	0.1
92.38564	0.2
94.34579	0.2
97.22749	0.1
112.63586	0.2
140.10645	0.7
149.37698	0.2
157.13382	0.2
166.36151	0.2
173.23322	0.2
196.16922	0.2
215.73195	0.2
271.52615	0.2
291.08911	0.3
292.09637	3.6
293.10501	0.3
306.07892	0.2
308.12790	1.5
314.27448	0.2
318.07629	1.1
319.08362	0.7
320.05365	0.4
320.09143	11.7
321.09927	6.9
334.10703	1.7
336.12274	100.0
359.40652	0.2
378.98328	0.2
391.57281	0.2
483.44250	0.2
528.17181	0.3
544.20050	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41282	0.2
71.03112	0.3
89.70917	0.3
137.65245	0.3
223.59450	0.3
247.42491	0.3
278.07993	0.6
292.09689	12.9
304.09586	2.8
306.07550	3.9
306.46835	0.4
308.53674	0.4
319.08578	0.5
320.09158	13.8
321.09937	31.6
334.10983	0.6
336.12274	100.0
355.91034	0.3
544.19873	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62910	0.4
52.14441	0.4
55.24342	0.5
56.06126	0.5
75.39094	0.5
82.84190	0.4
155.70044	0.5
163.63408	0.6
167.07120	0.6
181.04924	0.8
250.85252	0.6
278.08090	2.6
290.08102	10.0
291.08786	3.5
292.09790	0.7
302.08087	2.1
304.06027	8.6
306.07489	1.2
307.08429	2.5
314.08286	0.5
318.07602	14.6
319.08383	52.6
320.05457	0.8
320.09119	13.4
321.09793	1.2
334.10727	100.0
335.07742	0.8
335.11172	0.6
336.08618	0.7
336.12234	2.5
350.10248	0.8
393.75076	0.6
470.12161	2.4
493.04822	0.5
512.13953	0.8
544.20288	36.4
564.19135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98387	0.3
68.57566	0.4
70.89790	0.4
73.59141	0.4
89.67903	0.4
101.97314	0.3
110.48415	0.3
112.11188	0.4
137.06258	0.5
163.95172	0.3
231.46315	0.3
234.30444	0.3
263.09460	3.1
278.08109	13.6
291.08893	39.1
292.09702	22.2
304.09698	1.6
306.07590	14.7
307.08316	1.6
318.07593	2.3
320.09171	17.5
321.06152	0.9
321.09949	30.3
336.12292	100.0
443.15836	0.5
496.10031	1.6
512.13361	2.8
544.15692	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36897	0.4
64.58850	0.4
81.09160	0.4
118.08649	0.4
190.04982	2.8
191.05371	0.7
206.82115	0.5
230.86696	0.4
263.09439	2.3
278.08102	12.8
291.08899	36.7
292.09686	20.9
304.09628	1.7
306.07584	15.3
307.08374	2.2
318.07562	1.8
320.09146	16.9
321.09964	30.9
322.10580	0.6
334.10779	0.9
336.12296	100.0
418.79633	0.5
484.14209	0.6
486.15491	0.8
496.10266	0.9
500.17172	2.5
512.13367	0.9
514.14600	2.2
528.16583	4.1
529.17346	1.1
544.15198	24.9
555.49951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2177
Annotation	alpha-Rubicin I
Peak:m/z	Relative Intensity
50.30540	0.4
51.62005	0.5
51.92188	0.4
52.44196	0.5
53.03949	0.5
55.01884	13.6
59.05968	0.5
70.06609	0.6
73.77808	0.7
76.04374	0.5
81.03422	2.5
85.02905	1.2
91.05505	0.6
93.07052	4.0
95.04993	2.3
97.02924	0.7
99.04467	4.9
103.05483	1.3
107.04967	10.9
108.04485	18.8
121.06506	100.0
122.05147	1.1
122.06031	31.8
125.04739	1.1
126.05530	5.7
127.03889	1.4
142.08669	1.2
144.06531	1.3
147.04411	22.2
148.07564	4.2
150.09178	2.7
173.05952	1.4
191.07069	7.5
245.08136	0.7
246.11145	5.9
264.12399	2.9
282.13412	4.4
297.63943	0.7
323.10898	0.7
394.55853	0.7
438.72766	0.6
508.19510	5.7
526.14343	0.6
526.20721	43.3
544.21814	58.8
544.62372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78513	1.9
54.73499	1.9
57.97259	1.5
58.06593	2.1
69.16876	1.7
79.05492	4.5
81.03364	1.9
85.02892	3.4
88.73974	1.8
91.05503	3.1
93.07039	27.2
95.08569	3.0
107.04958	2.5
107.08598	41.9
129.47870	1.8
135.08052	2.7
135.11679	21.0
153.12665	2.6
163.07552	13.0
167.07027	28.8
181.08589	34.2
195.10181	13.2
207.06487	2.2
213.11227	21.3
225.11249	16.4
278.07840	2.4
290.08121	10.6
292.09653	4.6
304.05984	10.5
304.09308	2.2
306.07471	2.7
308.09042	3.3
318.07571	14.7
319.08380	56.0
320.09109	53.5
321.09775	21.6
322.10727	8.9
323.11365	7.4
334.06784	4.2
334.10693	100.0
335.10995	7.2
336.12283	89.5
337.12759	2.5
350.10187	9.4
459.00781	2.3
500.16760	10.1
513.67194	2.6
514.14789	8.2
528.16870	16.2
544.19885	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78513	1.9
54.73499	1.9
57.97259	1.5
58.06593	2.1
69.16876	1.7
79.05492	4.5
81.03364	1.9
85.02892	3.4
88.73974	1.8
91.05503	3.1
93.07039	27.2
95.08569	3.0
107.04958	2.5
107.08598	41.9
129.47870	1.8
135.08052	2.7
135.11679	21.0
153.12665	2.6
163.07552	13.0
167.07027	28.8
181.08589	34.2
195.10181	13.2
207.06487	2.2
213.11227	21.3
225.11249	16.4
278.07840	2.4
290.08121	10.6
292.09653	4.6
304.05984	10.5
304.09308	2.2
306.07471	2.7
308.09042	3.3
318.07571	14.7
319.08380	56.0
320.09109	53.5
321.09775	21.6
322.10727	8.9
323.11365	7.4
334.06784	4.2
334.10693	100.0
335.10995	7.2
336.12283	89.5
337.12759	2.5
350.10187	9.4
459.00781	2.3
500.16760	10.1
513.67194	2.6
514.14789	8.2
528.16870	16.2
544.19885	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51490	1.9
53.68935	2.0
58.60216	2.5
60.08171	3.9
67.05499	2.2
69.11209	2.0
70.47405	2.1
71.07370	2.2
80.55579	2.2
81.07075	2.3
86.09709	23.3
89.05404	2.4
89.48861	2.1
92.66584	2.3
95.08607	2.8
104.10747	100.0
104.49859	2.2
121.10116	3.8
125.48275	2.5
146.98181	22.4
195.22710	2.4
262.10339	2.6
301.55255	2.9
339.28900	9.5
485.26535	29.0
544.33820	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05059	0.7
53.82057	0.9
55.05524	6.8
57.03436	5.6
57.07076	7.7
60.89514	0.9
67.05512	6.7
69.07075	16.2
71.07378	4.8
71.08628	4.4
71.88124	0.9
79.05492	1.4
81.07062	11.3
83.08611	12.0
85.10180	1.5
86.09710	35.7
89.28849	1.1
93.07052	4.5
95.08616	13.8
97.06519	1.2
97.10183	8.4
107.08621	3.7
109.10188	5.8
111.08052	1.0
111.11687	2.2
121.10155	6.6
123.11736	1.6
125.09620	1.2
135.11722	6.4
139.11192	1.4
146.98180	64.2
149.13304	1.8
153.12779	1.1
167.50595	1.0
205.04889	0.9
299.44806	0.9
313.27313	1.1
339.28967	17.6
339.32687	1.6
485.26443	33.1
521.51434	1.1
525.62225	1.1
544.33734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28227	0.2
60.08166	5.5
71.07349	1.2
72.06295	0.2
79.05476	0.2
83.86790	0.3
86.09706	23.9
93.07035	0.3
98.98486	0.4
104.10754	2.6
116.79881	0.3
125.00001	13.9
161.05576	0.3
184.07335	100.0
190.48814	0.3
526.33142	1.4
544.33997	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46359	0.4
58.60430	0.4
59.44242	0.5
60.08174	5.6
60.90489	0.4
67.05514	0.5
78.70475	0.5
86.09709	25.2
90.38006	0.4
104.10764	4.7
111.06113	0.4
117.37439	0.4
117.62666	0.5
121.29823	0.5
125.00001	12.7
133.27275	0.4
139.37845	0.5
184.07339	100.0
201.55769	0.5
248.83177	0.5
286.02051	0.5
319.08490	0.7
320.09137	0.7
334.10736	0.9
442.60715	0.6
526.32410	0.7
544.33948	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3399
Annotation	2-arachidonoyl-lysophosphatidylcholine
Peak:m/z	Relative Intensity
53.38880	0.8
58.12230	0.8
59.81651	0.9
60.08173	13.6
66.42757	0.9
67.05508	1.8
71.07381	2.1
81.07075	0.9
82.93393	1.1
86.09717	39.9
86.10249	1.6
91.05463	1.4
104.10755	75.6
105.07014	1.0
124.99999	19.0
130.24200	1.0
170.77086	1.2
184.07350	100.0
226.66576	1.4
258.10971	1.2
499.06433	1.3
526.32831	5.1
544.34039	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97903	5.3
54.55987	4.9
55.05516	25.3
67.05514	81.4
69.03427	11.2
69.07055	43.7
79.05486	30.4
79.74327	6.3
81.03423	23.2
81.07065	100.0
83.04971	6.5
83.08616	35.5
85.02925	41.4
85.06539	25.4
89.41813	4.9
91.05499	12.3
92.21041	12.1
93.07043	40.7
95.08617	74.2
97.02887	24.1
97.10167	20.9
105.07033	23.1
107.08602	35.9
109.02847	9.7
109.10183	49.2
117.07029	6.4
119.08578	32.0
121.10148	33.2
123.11691	25.0
126.53825	5.7
127.03925	7.1
131.08618	5.3
133.10101	39.8
135.11653	11.1
147.11688	12.2
149.13283	10.3
161.13266	10.9
175.14812	8.7
187.14844	7.5
263.23669	13.3
300.59073	6.5
305.24481	6.7
347.29410	59.7
371.25681	25.8
389.26859	45.4
407.28033	37.0
544.39325	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96177	5.4
55.05520	9.8
57.07077	6.5
67.05515	68.0
67.24942	6.3
68.24533	6.6
69.03439	66.2
69.07063	39.3
79.05499	29.1
81.03444	9.6
81.07064	97.1
83.08627	31.7
85.02909	24.5
91.05484	13.6
91.85174	6.3
92.74290	5.7
93.07048	40.6
95.08606	100.0
97.02888	13.3
97.10148	11.8
97.14115	5.9
99.04470	9.7
99.08072	8.6
105.06992	13.0
107.08596	13.4
109.10162	50.1
117.06992	9.4
119.08595	14.8
121.10147	30.8
123.11727	24.8
127.03895	35.6
133.10135	14.8
135.11705	9.2
145.04926	8.1
147.11688	12.4
149.13258	9.3
161.13304	9.7
163.14786	8.1
175.14868	7.8
263.23660	43.4
298.53650	7.5
305.24744	9.8
306.64484	8.0
347.25681	11.5
371.25571	26.1
389.26596	29.2
407.28061	14.3
425.29037	74.3
546.40912	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54954	1.9
52.71271	1.6
53.03955	2.5
55.05521	17.4
57.03436	4.0
57.07070	12.6
61.88938	1.8
67.05175	3.8
67.05514	65.6
69.03437	41.9
69.07069	34.6
71.04992	5.0
71.08633	4.4
79.05500	26.2
81.03421	23.5
81.07065	100.0
83.08618	20.7
83.99488	1.9
84.01688	2.4
85.02916	29.1
85.06530	2.5
91.05498	16.7
93.07041	32.6
95.04992	3.8
95.08606	82.4
97.02891	76.3
97.06534	5.3
97.10195	15.1
99.04457	13.9
99.08112	5.1
105.07054	16.3
107.08591	26.9
109.02868	10.5
109.10160	44.2
111.08086	3.2
111.11734	3.0
113.05938	3.1
113.09665	2.4
117.07036	2.7
119.08579	26.3
121.06519	3.7
121.10130	23.9
123.08018	2.7
123.11713	20.3
127.03913	25.5
131.08569	8.3
133.10129	24.2
135.11693	12.6
139.11230	2.9
145.04916	10.0
145.10143	4.3
147.11626	15.7
149.13271	8.8
151.11188	3.2
151.14786	2.2
159.11655	3.8
161.13295	16.7
163.14769	3.7
171.11621	3.0
173.13266	4.3
175.14864	3.8
177.16315	2.6
178.08658	2.2
185.56470	2.5
187.14713	2.7
189.16411	3.1
213.16470	2.1
225.14458	2.3
245.22649	20.3
249.18265	2.8
261.22137	10.8
263.21106	3.0
263.23721	52.9
293.24689	7.3
305.24609	2.1
317.24481	3.3
321.24414	3.2
329.24551	2.7
343.26447	3.1
353.24707	4.6
371.25909	30.1
377.26575	2.4
389.26749	40.6
407.27805	36.1
425.28946	46.6
434.73608	2.3
440.39197	2.4
466.14832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83461	1.4
53.00329	1.7
53.03945	3.1
55.01881	2.6
55.05524	17.0
57.03442	4.0
57.07081	6.8
59.99830	1.6
67.05510	73.2
69.03437	40.6
69.07069	29.7
71.01357	1.7
71.04989	2.6
71.08629	8.9
73.02882	1.9
79.05493	24.3
81.02957	2.1
81.03425	43.2
81.07063	100.0
83.04980	4.5
83.08627	22.1
85.02906	28.4
85.06528	9.0
86.02414	1.8
87.04480	1.7
91.05495	24.2
93.07040	42.3
95.04963	11.0
95.08604	80.6
97.02885	26.6
97.06542	9.6
97.10175	13.4
99.04462	7.7
99.08087	7.3
105.07038	29.7
107.04944	3.6
107.08599	28.9
109.02859	21.7
109.06519	8.6
109.10161	33.7
111.04453	6.4
111.08071	8.0
111.11757	1.9
113.05985	2.8
117.07035	14.3
117.30565	1.6
119.08578	23.9
121.06505	10.1
121.10131	31.9
123.04383	3.7
123.08047	3.1
123.11700	19.9
125.09620	3.2
127.03900	19.6
129.05479	1.9
129.06978	4.3
131.08583	19.9
133.06509	3.9
133.10121	22.7
135.08031	2.5
135.11685	14.2
135.46803	1.9
137.13260	7.6
139.11209	2.6
141.06976	2.1
141.80609	1.9
143.08559	9.1
145.04959	1.8
145.06482	1.9
145.10143	18.1
145.80455	1.8
147.08075	7.2
147.11665	19.5
149.13307	16.0
151.11165	1.8
151.14902	2.9
155.08513	4.1
157.10117	7.5
159.11707	10.0
161.13289	17.8
163.11147	2.3
163.14828	9.2
164.63069	1.7
169.10059	2.9
169.39349	1.7
171.11679	3.8
173.13269	7.2
175.14766	12.4
177.12761	2.0
177.16382	2.1
179.14211	2.7
181.10390	2.2
183.11682	2.9
185.13316	6.5
187.14729	2.4
189.16422	3.6
193.08664	2.6
199.14937	3.1
201.16393	2.4
207.13817	2.9
221.15520	2.4
235.13205	2.3
241.15855	2.7
243.21039	2.4
245.22583	3.5
263.23727	11.1
275.23508	2.8
277.14386	2.8
277.24866	2.1
279.23157	2.8
288.26398	2.2
291.23196	4.1
293.24768	2.7
303.23190	3.8
305.24619	9.6
317.24582	7.1
321.24240	7.2
325.25150	1.9
329.24887	2.8
335.12909	1.9
343.26401	7.1
353.24680	8.6
361.27347	3.2
371.25845	36.4
389.26794	65.3
407.27924	73.5
425.28922	32.7
491.33920	6.5
509.34616	2.3
544.36578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81614	5.4
55.05518	6.9
59.06137	5.9
67.05507	67.1
69.03445	49.1
69.07059	30.0
74.31443	5.0
79.05480	11.0
81.07063	100.0
83.08633	27.8
85.02917	9.6
93.07043	29.1
93.13477	7.3
94.66330	6.1
95.04961	6.5
95.08604	87.1
97.02901	11.5
97.10162	10.7
102.38653	5.8
107.08585	30.8
109.10155	44.9
117.50498	6.1
119.08635	11.4
121.10154	14.2
123.11681	8.1
127.03923	37.5
131.08487	6.1
133.10144	12.2
135.11702	12.5
137.13274	9.6
139.74406	5.8
145.04974	8.0
145.10168	7.2
147.11671	8.9
149.13242	8.1
151.20422	6.3
161.13242	6.8
171.60896	7.2
173.00294	6.8
193.86662	7.5
245.22513	10.7
263.23813	43.4
305.24847	7.8
347.25977	9.1
356.74780	6.2
371.25650	9.9
389.26816	33.1
407.27832	28.4
425.28888	82.0
544.35931	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12725	7.8
51.51451	6.2
55.05516	12.2
62.15486	7.2
67.05511	48.2
69.03430	49.0
69.07067	12.7
71.04987	10.0
74.93475	9.3
79.05485	12.2
81.03431	17.8
81.07056	57.9
85.02900	37.6
91.05485	13.1
93.07040	15.8
95.08591	41.4
97.02887	100.0
97.10197	13.0
97.74390	8.0
99.04441	13.1
103.53056	8.4
105.07019	17.9
107.08630	9.8
109.02865	11.6
109.10162	21.6
121.10149	13.8
123.11694	8.2
127.03904	10.1
128.52116	8.6
135.11671	11.3
145.04999	14.3
147.11755	8.8
188.01167	8.7
229.13962	10.0
257.87579	11.4
263.23782	34.5
299.67841	9.4
320.08984	14.1
371.25403	16.3
381.38080	9.4
389.26691	33.2
407.27771	14.6
412.33945	9.2
425.28668	10.9
544.35205	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39896	0.2
51.29486	0.1
65.79203	0.2
69.03411	0.3
70.06562	0.8
80.76845	0.2
81.03419	0.2
86.09673	0.9
99.04459	1.4
117.05636	0.2
133.06502	0.2
177.27432	0.2
200.99329	0.2
242.05711	0.3
270.05127	1.2
285.07556	100.0
320.09180	0.3
321.09891	0.3
334.10098	0.2
336.12241	1.1
337.12534	0.8
342.01157	0.2
365.23233	0.3
545.16449	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01701	0.7
69.03436	2.0
79.64474	0.9
81.03431	1.0
81.07040	1.3
85.02897	7.5
85.10169	0.9
94.04197	1.0
95.84063	0.8
105.07030	9.6
109.02856	0.9
109.06541	1.6
115.05476	1.7
122.03643	1.6
131.04921	1.4
133.06480	9.4
137.05980	76.0
146.03632	1.5
161.05960	55.2
162.97742	1.0
171.08014	2.1
175.07503	1.2
184.05180	0.9
187.07564	3.8
189.61586	0.8
199.07530	22.5
202.07683	1.1
203.08521	13.3
203.99699	1.2
204.09343	1.0
220.08748	4.7
231.08040	34.4
231.10262	1.6
232.08875	9.2
235.11191	1.7
245.09586	0.9
247.07469	1.2
248.08308	15.1
258.06583	1.2
259.07498	31.8
260.08325	27.7
262.09827	1.4
263.10696	25.7
273.09158	1.0
275.06943	1.2
276.07788	18.9
276.46851	0.9
277.08542	6.0
291.10141	100.0
292.10980	6.4
293.07971	3.7
295.13214	1.5
308.10391	5.1
320.08908	1.4
321.09305	0.9
323.12772	77.4
334.10751	1.6
383.14490	1.0
398.76535	1.0
545.13531	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33167	1.7
67.05511	2.3
69.07059	2.1
70.58962	2.2
73.27505	2.2
80.35977	2.4
81.07087	3.3
83.23856	2.0
86.23777	2.1
93.07000	3.2
95.08646	3.3
117.45515	2.2
128.43063	2.5
204.20546	2.3
238.14117	50.8
243.04095	2.2
266.17276	42.4
300.15530	2.9
545.34357	71.0
545.42749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94889	2.1
55.26377	1.9
60.12814	2.0
78.98661	2.2
80.04980	2.3
90.17085	2.5
90.70686	2.0
92.20919	2.9
104.02605	2.8
114.46909	2.3
133.97580	2.6
238.14131	68.5
478.69662	2.8
545.43011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74102	0.7
57.42035	0.8
66.07631	0.8
82.89193	0.9
125.80548	1.0
134.79678	0.8
142.35742	0.8
154.30421	1.0
157.10043	1.0
290.08197	9.0
294.11224	2.0
302.08191	1.1
304.06036	8.3
306.07629	1.5
307.12207	1.2
308.09207	4.5
308.12863	4.6
318.07562	21.5
319.08389	28.9
320.09222	9.3
321.09686	4.9
322.10648	9.3
323.11493	10.3
333.06314	1.4
334.06854	2.2
334.10718	40.0
335.11240	1.1
336.12274	14.0
337.12775	15.4
338.13660	29.2
350.10028	4.0
352.15405	23.1
366.09656	1.7
388.11462	1.2
404.10934	1.2
414.09750	1.0
432.10773	19.8
444.10422	1.0
486.11584	1.2
488.09583	3.5
502.11411	11.8
502.43460	1.1
530.10822	3.0
546.13776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13540	0.5
63.45758	0.5
92.26255	0.6
117.55037	0.7
284.90518	0.6
290.08044	7.2
294.11227	1.3
302.08072	1.3
304.06104	6.1
306.07648	0.9
308.09369	1.8
308.12827	5.7
316.06015	1.1
318.07608	19.0
319.08408	22.1
320.09161	2.7
322.10779	6.3
323.11523	8.2
334.10712	36.6
334.14636	1.3
336.12262	10.0
337.13028	12.8
338.13843	25.4
345.78784	0.8
352.15427	40.4
371.04218	0.7
432.10806	14.0
460.09686	0.8
486.11395	0.9
488.09766	3.4
502.11301	9.6
516.09088	1.0
530.11292	2.5
546.13953	100.0
546.20758	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22712	0.6
64.56355	0.7
66.32752	0.6
70.07779	0.5
70.52947	0.5
72.19933	0.6
84.61376	0.6
145.52782	0.6
153.12726	0.6
160.03929	0.7
161.06029	1.4
174.05518	2.5
178.04971	21.9
190.04980	3.7
206.04539	1.2
207.06610	0.7
249.19559	0.7
264.06516	1.2
278.08063	3.2
280.06110	1.0
281.06894	0.8
290.08157	0.6
292.06088	1.1
294.11191	0.9
304.05777	0.8
306.07559	6.2
307.08185	1.1
308.05499	4.2
309.06497	2.2
318.07410	0.7
319.05133	0.8
319.08301	5.9
320.08917	1.3
321.09418	1.0
334.07016	6.0
334.10757	9.9
336.04776	1.5
337.05807	8.5
351.07230	0.9
352.08121	100.0
366.09567	0.9
384.10745	51.1
483.39215	0.8
500.13843	1.2
546.13983	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08257	0.8
59.54075	0.8
62.21631	1.0
92.21525	1.9
133.83636	1.2
135.82594	1.1
149.06003	5.9
149.45990	1.1
191.66669	1.2
246.06244	1.1
265.07394	2.1
290.07935	1.5
294.07971	2.0
294.11313	8.2
305.06897	1.4
306.07574	4.9
307.08578	2.9
307.12076	11.2
308.09222	25.9
308.12817	10.4
318.07483	2.1
319.08456	6.5
320.08981	4.8
320.12756	2.3
321.09769	2.4
322.07150	1.9
322.10666	14.0
323.07877	6.2
334.10724	17.2
335.11047	1.8
336.08640	9.3
336.12390	18.8
337.13028	14.6
338.10220	86.4
352.11899	1.6
352.15421	45.2
356.11407	1.7
366.09738	100.0
384.10867	11.3
484.13672	1.7
500.13565	2.1
546.17462	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92263	0.2
66.63673	0.2
68.95124	0.3
135.82202	0.3
176.78311	0.3
190.04961	0.6
264.06503	1.2
265.07309	0.5
294.07544	1.1
295.08408	0.5
306.07361	1.0
308.05792	0.4
322.07095	1.4
336.04980	18.6
351.07349	100.0
354.06082	0.6
366.09702	42.0
369.08307	3.1
384.10739	43.9
528.15149	1.0
546.16089	27.8
557.95325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45295	0.2
63.39199	0.2
69.15739	0.2
84.39042	0.2
85.02895	0.3
100.06203	0.2
137.06032	0.3
176.07077	10.8
190.83270	0.2
192.06543	2.0
209.04451	5.3
265.07318	0.5
266.08102	0.2
278.08191	0.9
279.08948	0.8
280.09625	2.1
282.07629	0.5
294.07736	0.3
296.09146	1.6
306.07623	1.1
307.08417	0.9
308.09125	1.1
322.07172	0.3
324.08752	1.7
325.09650	0.3
335.07776	0.3
338.10547	0.3
340.11938	1.1
366.09418	0.4
384.10770	100.0
540.77368	0.3
546.15582	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48807	0.2
72.47448	0.2
75.17163	0.2
89.87872	0.2
279.08939	1.8
294.11255	1.5
307.08395	16.7
320.09271	0.5
322.10733	100.0
336.12082	0.4
352.08194	3.5
415.35416	0.3
546.17310	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68379	0.4
69.44445	0.5
73.15554	0.5
99.52863	0.5
127.03915	7.8
172.08611	0.6
209.65205	0.5
242.11307	0.6
264.10406	1.2
275.07004	0.6
292.09692	2.2
317.44626	0.6
320.09085	5.2
321.09979	6.5
322.10733	100.0
431.27792	0.7
448.13953	9.9
546.17578	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72859	1.3
61.24706	1.2
68.08579	1.4
73.20640	1.2
73.85870	1.4
75.07504	1.4
77.14490	1.5
131.04912	2.9
149.05995	2.1
161.05965	1.7
167.07066	3.7
177.05463	2.7
182.09357	3.1
191.07065	19.1
192.07817	9.2
280.05829	1.9
290.08145	2.1
293.06717	2.5
304.06070	1.9
307.08365	6.9
308.05511	21.2
308.09171	12.0
318.07462	6.4
319.08286	31.2
320.09113	51.7
321.09329	2.8
322.07040	13.8
334.07104	3.4
334.10757	50.4
335.10989	6.6
336.11868	10.3
349.23538	2.2
351.31265	1.8
364.08081	9.3
394.15247	1.9
498.11865	43.3
498.19034	5.7
501.13983	2.4
512.20776	2.4
513.14410	12.0
513.20935	2.1
516.12506	18.4
528.16516	3.0
528.23718	3.0
530.17267	2.6
531.15137	11.7
546.17499	100.0
546.24762	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88222	0.8
54.85186	0.9
64.10876	0.9
66.93578	0.7
78.64764	0.8
83.58628	0.9
94.66534	0.9
96.12685	0.9
109.06527	1.0
131.03528	1.0
142.37828	1.0
156.85768	1.1
292.09540	1.5
294.07626	5.9
308.05475	1.6
308.08850	1.4
318.07605	3.8
319.08383	3.9
320.09128	17.5
321.09744	2.2
322.10510	1.7
323.07715	3.8
323.11514	4.2
324.12231	1.6
334.10696	7.8
336.12256	6.7
338.10248	1.7
338.13870	3.7
338.27554	1.0
359.84393	1.1
366.05603	1.2
366.09897	10.6
437.08524	1.3
465.08057	1.2
470.12231	4.9
483.09250	6.4
486.11826	21.5
498.11819	72.4
501.13928	8.5
513.14044	8.4
516.16132	3.9
530.17255	1.9
531.15399	1.8
546.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54548	1.3
63.91453	1.3
91.05428	2.0
119.04916	9.8
137.05194	1.4
137.05992	27.9
147.04398	12.4
154.90337	1.4
156.45076	1.5
156.46512	1.6
167.52545	1.6
174.05513	2.3
176.07060	45.9
179.07022	1.8
190.04948	2.0
200.42044	1.7
259.80533	1.7
268.46851	2.0
291.08249	1.7
292.09412	1.8
304.06033	2.0
306.07330	1.7
308.08972	3.8
318.07599	2.2
319.08328	7.4
320.05423	70.7
320.09082	19.9
321.09503	16.7
322.10593	8.3
334.06958	10.9
334.10663	12.7
335.07861	100.0
336.12161	7.3
337.12839	1.8
350.10205	77.5
352.15390	2.4
362.10199	3.3
449.72830	2.0
452.11163	2.9
466.12592	2.4
480.10556	9.3
482.11740	2.1
494.12003	9.3
495.13162	2.5
510.14960	7.6
528.16467	20.8
546.17432	91.6
546.26068	7.3
548.80609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23407	0.5
53.28204	0.5
65.69632	0.5
69.90089	0.5
70.76337	0.5
74.76466	0.5
85.10986	0.5
91.05477	1.1
93.07037	0.6
119.05008	0.6
135.04372	1.1
149.06006	3.4
159.04439	0.6
160.16243	0.5
162.67155	0.6
165.05469	0.9
167.07103	2.6
174.05473	0.6
175.03952	1.3
176.07053	0.8
181.04959	16.9
189.07845	1.0
190.08763	0.7
193.04938	0.6
247.73608	0.6
264.72290	0.6
292.07153	0.8
308.06003	0.9
308.09271	0.8
320.09146	2.4
322.07309	2.2
322.10834	1.1
324.08978	2.5
325.07217	0.8
336.05167	0.9
336.08658	2.5
336.12442	2.7
338.10187	14.1
350.10144	4.2
351.07297	2.2
351.11157	1.1
352.08157	4.1
354.13565	1.4
366.09711	20.4
374.10330	0.8
453.11862	0.8
454.12991	2.6
455.13748	3.4
464.11548	0.6
470.11765	1.2
471.13040	3.5
472.14352	0.7
480.09628	0.8
482.11584	0.7
486.15512	10.7
488.13235	0.7
498.11539	1.0
513.14270	1.0
546.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88222	0.8
54.85186	0.9
64.10876	0.9
66.93578	0.7
78.64764	0.8
83.58628	0.9
94.66534	0.9
96.12685	0.9
109.06527	1.0
131.03528	1.0
142.37828	1.0
156.85768	1.1
292.09540	1.5
294.07626	5.9
308.05475	1.6
308.08850	1.4
318.07605	3.8
319.08383	3.9
320.09128	17.5
321.09744	2.2
322.10510	1.7
323.07715	3.8
323.11514	4.2
324.12231	1.6
334.10696	7.8
336.12256	6.7
338.10248	1.7
338.13870	3.7
338.27554	1.0
359.84393	1.1
366.05603	1.2
366.09897	10.6
437.08524	1.3
465.08057	1.2
470.12231	4.9
483.09250	6.4
486.11826	21.5
498.11819	72.4
501.13928	8.5
513.14044	8.4
516.16132	3.9
530.17255	1.9
531.15399	1.8
546.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98146	0.3
150.69464	0.4
190.05035	0.7
236.04909	0.4
290.08038	0.5
292.09671	0.7
293.06848	1.6
293.09900	0.5
294.10797	0.6
307.76566	0.4
308.09155	34.1
318.07559	10.0
319.08270	3.2
320.09113	5.9
321.09915	2.4
322.06940	1.0
322.10370	3.1
323.10922	1.7
334.10751	5.8
335.11084	0.8
336.08649	100.0
336.12100	6.2
337.12659	5.2
338.13043	6.0
348.04895	0.6
468.17896	0.9
486.19046	1.0
546.17267	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48807	0.2
72.47448	0.2
75.17163	0.2
89.87872	0.2
279.08939	1.8
294.11255	1.5
307.08395	16.7
320.09271	0.5
322.10733	100.0
336.12082	0.4
352.08194	3.5
415.35416	0.3
546.17310	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.9
59.33998	0.8
76.52416	1.0
97.01048	1.0
98.99770	0.8
137.05971	1.7
138.59480	0.9
153.05446	7.9
190.04933	1.3
278.08115	2.1
290.08258	1.9
291.08832	4.0
304.06018	1.6
306.07690	10.6
307.08447	4.4
308.09177	6.0
318.07718	3.8
319.08398	12.3
320.05664	2.2
320.09055	9.3
321.09863	8.6
322.07190	1.9
322.10712	20.6
323.11575	1.7
334.07031	4.7
334.10733	38.5
335.07779	3.3
335.11227	4.7
336.08578	1.6
336.12265	16.6
337.13010	1.2
346.10837	1.0
349.09253	1.2
350.10184	9.6
351.10974	1.0
352.15350	5.3
358.10495	1.0
366.09344	1.8
375.11063	1.0
376.12073	1.4
392.61243	0.9
403.45731	1.0
454.12741	1.1
469.11124	1.3
472.14078	2.0
484.14139	8.0
495.13388	1.0
498.11615	1.2
500.13449	1.7
502.14584	1.3
513.14172	4.9
528.16614	11.4
531.15308	2.0
546.17499	100.0
547.16956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.9
59.33998	0.8
76.52416	1.0
97.01048	1.0
98.99770	0.8
137.05971	1.7
138.59480	0.9
153.05446	7.9
190.04933	1.3
278.08115	2.1
290.08258	1.9
291.08832	4.0
304.06018	1.6
306.07690	10.6
307.08447	4.4
308.09177	6.0
318.07718	3.8
319.08398	12.3
320.05664	2.2
320.09055	9.3
321.09863	8.6
322.07190	1.9
322.10712	20.6
323.11575	1.7
334.07031	4.7
334.10733	38.5
335.07779	3.3
335.11227	4.7
336.08578	1.6
336.12265	16.6
337.13010	1.2
346.10837	1.0
349.09253	1.2
350.10184	9.6
351.10974	1.0
352.15350	5.3
358.10495	1.0
366.09344	1.8
375.11063	1.0
376.12073	1.4
392.61243	0.9
403.45731	1.0
454.12741	1.1
469.11124	1.3
472.14078	2.0
484.14139	8.0
495.13388	1.0
498.11615	1.2
500.13449	1.7
502.14584	1.3
513.14172	4.9
528.16614	11.4
531.15308	2.0
546.17499	100.0
547.16956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.9
59.33998	0.8
76.52416	1.0
97.01048	1.0
98.99770	0.8
137.05971	1.7
138.59480	0.9
153.05446	7.9
190.04933	1.3
278.08115	2.1
290.08258	1.9
291.08832	4.0
304.06018	1.6
306.07690	10.6
307.08447	4.4
308.09177	6.0
318.07718	3.8
319.08398	12.3
320.05664	2.2
320.09055	9.3
321.09863	8.6
322.07190	1.9
322.10712	20.6
323.11575	1.7
334.07031	4.7
334.10733	38.5
335.07779	3.3
335.11227	4.7
336.08578	1.6
336.12265	16.6
337.13010	1.2
346.10837	1.0
349.09253	1.2
350.10184	9.6
351.10974	1.0
352.15350	5.3
358.10495	1.0
366.09344	1.8
375.11063	1.0
376.12073	1.4
392.61243	0.9
403.45731	1.0
454.12741	1.1
469.11124	1.3
472.14078	2.0
484.14139	8.0
495.13388	1.0
498.11615	1.2
500.13449	1.7
502.14584	1.3
513.14172	4.9
528.16614	11.4
531.15308	2.0
546.17499	100.0
547.16956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50753	0.3
57.27467	0.3
59.90917	0.3
61.25477	0.3
69.22492	0.3
70.55536	0.3
91.57614	0.3
111.34256	0.3
174.30647	0.3
236.14879	0.3
292.09750	2.3
294.11240	1.5
318.07660	0.4
319.08453	0.4
320.09174	100.0
321.09802	0.6
322.10550	1.4
323.11505	3.0
334.10825	0.4
336.12302	3.2
337.12805	1.1
338.13846	8.9
546.21313	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07994	0.2
57.00855	0.2
59.63523	0.2
66.76677	0.2
85.97513	0.3
95.66232	0.3
110.74768	0.2
229.40085	0.3
290.08096	0.3
292.09644	8.0
304.09613	0.9
306.07666	1.8
306.10815	0.3
308.12927	0.3
319.08231	1.5
320.09125	12.1
321.09933	19.4
334.10748	2.3
335.11136	1.8
336.12280	100.0
486.14954	0.4
502.18405	0.5
512.05450	0.3
515.66284	0.2
516.16644	1.0
530.18011	1.7
531.18738	0.5
546.21405	12.1
547.19092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52411	0.4
68.85854	0.4
69.09084	0.4
76.29987	0.5
92.20921	0.4
116.72543	0.4
130.50169	0.4
161.36043	0.4
178.91069	0.4
236.14923	0.6
276.82071	0.4
292.09677	0.7
294.11108	0.7
306.07471	0.5
308.09134	1.9
308.12756	14.7
319.14511	0.5
320.09171	13.9
320.12747	3.9
321.09714	0.8
322.10703	6.7
334.07050	1.5
334.10895	0.6
336.12283	26.9
337.13074	34.7
352.15439	100.0
449.42157	0.4
546.21729	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09880	0.2
60.24442	0.2
67.74163	0.2
70.22353	0.3
87.71385	0.2
92.21575	0.5
94.73332	0.2
121.62152	0.2
152.50284	0.3
166.10310	0.2
292.09677	1.2
294.11163	0.5
306.07544	0.3
307.11911	0.4
308.12787	15.9
319.08145	0.9
320.08963	2.2
320.12836	3.5
321.09943	2.1
321.13324	0.3
322.10730	9.7
322.13998	0.3
323.11563	0.4
334.07153	0.3
334.10773	1.5
335.11191	0.5
336.12268	31.1
337.08881	0.4
337.13062	32.0
352.15421	100.0
546.21552	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21743	0.4
59.48156	0.5
62.43562	0.5
119.04919	0.5
156.90834	0.5
205.91493	0.6
290.07953	1.3
292.09717	6.1
293.10291	0.8
302.08121	0.8
304.05963	2.0
304.09512	1.3
306.07388	3.1
308.09567	0.7
308.12811	1.2
318.07486	5.2
319.08340	9.9
320.09152	19.3
321.09943	18.9
322.10678	4.1
334.07104	1.1
334.10712	17.6
335.07700	0.9
335.11282	4.6
336.12274	100.0
337.12979	0.8
350.10089	0.9
350.13831	4.1
352.15192	1.1
394.40430	0.5
432.10767	3.5
502.11395	1.2
515.44507	0.7
530.18109	0.9
546.14099	18.7
546.20709	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34443	0.4
57.63197	0.5
62.44947	0.5
73.65636	0.5
73.68989	0.5
84.13537	0.5
115.68884	0.6
119.04959	0.7
127.12949	0.6
131.04921	0.5
137.06015	3.3
151.07576	0.6
161.06032	0.8
174.10677	0.6
236.14934	1.2
292.09772	3.7
302.08282	0.7
304.09653	2.2
305.10422	0.8
306.07724	2.0
306.11423	3.8
318.07736	1.4
319.08450	2.7
319.12164	1.2
320.09128	24.9
320.12659	1.2
321.09933	9.9
321.12933	0.6
322.10876	2.8
334.06885	1.2
334.10681	14.5
335.11353	7.8
336.08286	1.3
336.12253	39.0
337.13022	2.2
338.13742	0.8
348.12421	1.3
350.09930	1.1
350.13849	24.7
366.13504	0.9
368.14914	4.0
502.18561	0.9
530.18530	0.9
531.18756	1.3
546.21350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99632	0.1
51.50416	0.2
63.74726	0.2
70.26548	0.2
111.62868	0.2
123.03134	0.2
243.79846	0.2
276.06540	0.3
278.08112	0.8
291.12512	0.3
292.09409	0.3
293.10696	0.2
294.11487	0.4
306.07556	2.7
307.11856	0.3
308.12781	15.1
320.09006	0.7
320.12823	3.3
321.09879	0.5
322.10712	7.9
323.11523	0.4
334.07083	8.4
334.10715	0.5
336.08154	0.4
336.12274	21.7
337.13052	34.4
338.13727	0.4
349.09375	5.1
350.10278	0.8
352.15411	100.0
487.12558	1.0
527.28723	0.2
546.13794	5.0
546.21075	4.9
551.34015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91550	0.3
56.30434	0.3
65.63948	0.4
88.57367	0.5
99.04477	0.5
106.09767	0.5
118.88073	0.5
290.08148	0.6
292.09641	1.1
294.11224	13.0
306.07919	0.8
306.11313	2.6
308.09235	5.5
318.07510	0.5
319.08301	1.7
320.09174	41.4
321.09750	1.7
322.10663	16.0
323.11526	37.5
334.10623	3.6
335.11227	0.9
336.12131	3.1
337.12735	0.7
338.13855	100.0
350.13947	0.9
352.15247	0.5
426.00174	0.5
514.14905	2.6
546.21796	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88086	0.3
61.61637	0.3
61.62073	0.3
65.38905	0.3
133.71509	0.4
282.02490	0.4
290.08188	0.4
292.09695	3.1
306.07635	0.4
318.07608	0.5
319.08463	0.7
320.09146	100.0
321.09302	1.3
334.07187	0.5
334.10849	0.6
335.07635	0.7
335.11359	0.5
336.11835	1.9
337.11441	0.6
338.12268	0.5
350.10388	0.6
454.33472	0.4
465.08203	0.4
470.12610	0.7
483.09488	0.8
486.11505	4.5
498.11819	14.8
501.14111	2.5
513.14233	0.8
546.21741	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60878	0.6
73.26405	0.7
81.07110	0.8
97.83688	0.9
142.41669	0.8
171.90678	0.8
292.09708	1.2
294.11166	13.5
306.11252	1.0
308.09198	7.6
308.12350	0.8
319.08276	1.6
320.09167	34.5
321.09625	1.5
322.10706	17.8
323.11514	39.5
334.07288	2.0
334.10825	6.4
335.11166	0.9
336.12204	7.6
337.12891	3.6
338.13858	100.0
352.15463	4.4
364.07843	1.0
498.15756	1.0
546.22137	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92837	0.4
72.64133	0.4
85.25207	0.4
137.05971	0.7
147.04378	0.7
161.05969	0.5
179.07103	0.9
195.98744	0.4
259.53555	0.5
279.88135	0.5
292.09592	4.6
304.09677	2.3
306.04211	0.4
306.07880	0.9
306.11377	3.8
307.08533	0.5
308.09320	0.6
317.10492	0.6
318.07623	0.7
318.11142	0.5
319.08896	0.6
319.12228	2.8
320.09180	25.8
321.09866	11.2
322.10699	4.4
323.11505	0.6
334.07227	1.0
334.10736	7.1
335.11447	5.8
336.12292	40.8
337.13116	2.0
338.14096	0.7
348.12448	0.8
350.10074	0.9
350.13855	20.2
350.17838	0.7
352.15540	2.0
368.14966	3.4
378.09610	0.5
448.17612	7.1
530.18024	1.0
531.19135	2.8
546.21381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70305	0.5
54.15466	0.5
59.30009	0.4
65.59435	0.5
78.39735	0.5
80.37812	0.5
86.61060	0.5
92.72069	0.7
177.65448	0.5
292.09659	1.0
293.10312	0.6
308.09109	2.2
308.12726	15.2
319.08450	0.8
320.09134	8.4
320.12817	3.0
321.09836	0.8
322.10754	10.0
333.10031	2.2
334.11099	2.2
335.11258	1.9
336.12292	27.5
337.13065	34.4
338.14429	0.6
352.15424	100.0
383.14749	0.7
384.15244	1.1
402.27753	0.6
420.17926	1.0
448.17526	24.7
514.97791	0.6
546.21930	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09405	0.3
51.36763	0.3
53.57143	0.2
53.79671	0.2
54.48323	0.3
61.17936	0.3
64.41655	0.3
71.07193	0.2
85.73287	0.3
115.42216	0.3
122.00303	0.3
150.98630	0.3
159.26633	0.2
292.09662	2.9
305.06461	0.4
306.07593	1.1
318.07721	0.4
319.08173	0.5
320.09164	100.0
321.09265	0.7
322.10672	0.5
334.07022	0.7
334.10822	0.6
336.08566	0.4
336.12021	1.1
337.11954	0.6
338.12198	0.4
350.10266	1.3
351.10785	0.4
516.70941	0.3
546.21387	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70314	0.5
58.06605	1.1
68.93581	0.5
70.03108	0.5
74.83275	0.6
80.19421	0.6
99.04448	1.2
107.08612	0.7
113.42953	0.7
137.78612	0.7
147.04387	0.8
147.89374	0.6
163.66367	0.7
167.74109	0.6
177.49724	0.6
236.14841	0.6
292.09653	12.2
304.09537	1.4
306.07611	3.4
308.09598	0.8
319.08279	2.4
320.09161	13.2
321.06079	1.1
321.09930	28.9
322.10498	0.9
323.11423	1.2
334.10574	7.6
335.11142	1.3
336.12289	100.0
337.12863	2.4
338.13434	1.0
366.09576	1.2
470.15839	3.2
486.15344	1.4
488.16928	1.1
496.17697	0.9
498.15527	5.7
500.16443	1.3
502.18671	10.8
512.16925	3.2
514.18982	4.3
516.16351	8.7
530.18060	18.7
531.19269	6.5
536.52240	0.7
546.21448	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31744	0.8
55.91098	0.6
62.93158	0.8
83.64719	0.8
154.28777	0.8
209.53236	0.8
224.06477	0.9
225.73389	0.8
278.07983	1.1
290.07718	0.9
292.09570	7.2
306.07529	1.7
319.08383	4.7
320.09085	14.0
320.37350	0.8
321.09921	16.9
322.10648	1.1
334.07343	1.0
334.10693	8.4
335.11060	1.9
336.12247	100.0
355.72067	0.9
366.08801	1.2
470.16275	2.9
486.15726	1.7
488.16739	1.7
498.15179	5.7
500.16992	3.4
501.17670	1.6
502.18472	8.9
512.16846	3.7
514.18317	4.8
516.16150	8.4
525.39630	1.0
530.18195	17.7
531.18750	6.8
546.21466	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66949	0.5
70.15311	0.6
86.09682	0.7
92.21607	1.1
96.14970	0.6
96.62299	0.5
130.06523	1.0
138.86392	0.6
159.09171	0.8
291.12268	0.7
292.09756	2.1
303.76837	0.6
306.07309	1.0
307.08466	0.7
308.12781	17.4
314.09857	0.6
320.08963	4.4
320.12912	2.6
321.09814	4.3
322.10672	9.2
334.10605	2.3
335.10962	2.4
336.12265	38.6
337.13077	36.0
352.15433	100.0
356.01797	0.7
383.91974	0.6
386.51837	0.7
486.35852	0.6
546.20459	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62230	0.2
65.31097	0.3
69.10276	0.2
70.17255	0.2
83.55061	0.2
86.10204	0.2
110.36630	0.3
141.20146	0.3
154.79559	0.3
210.17178	0.3
292.09732	2.5
320.09171	100.0
321.09738	0.6
334.10748	0.4
336.12415	1.4
397.01648	0.3
546.21283	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62230	0.2
65.31097	0.3
69.10276	0.2
70.17255	0.2
83.55061	0.2
86.10204	0.2
110.36630	0.3
141.20146	0.3
154.79559	0.3
210.17178	0.3
292.09732	2.5
320.09171	100.0
321.09738	0.6
334.10748	0.4
336.12415	1.4
397.01648	0.3
546.21283	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85699	0.4
82.43797	0.4
82.82822	0.4
90.24576	0.4
147.80193	0.4
291.08829	0.5
292.09702	6.7
304.09561	0.9
306.07639	2.5
306.81772	0.5
308.12704	0.8
319.08316	1.4
320.09079	10.6
321.09933	22.1
322.10712	2.5
334.10736	3.3
335.11151	0.9
336.12289	100.0
358.87314	0.4
388.16010	0.5
502.18976	0.6
516.16589	0.7
530.18268	1.7
546.21643	12.5
557.34845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82590	0.3
61.57850	0.2
62.27576	0.3
65.28213	0.2
76.90002	0.3
92.21484	0.4
107.31618	0.3
107.71983	0.2
115.86112	0.2
159.39821	0.2
187.32635	0.3
275.79309	0.3
292.09708	8.8
292.12912	0.4
304.09772	1.1
306.07556	2.6
320.09177	10.2
321.09967	24.8
335.11160	0.6
336.12296	100.0
498.15710	0.3
530.18207	0.4
546.21332	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91591	0.5
52.43618	0.5
53.00320	0.5
53.03947	0.5
55.58727	0.5
61.02227	0.4
63.85155	0.5
66.59834	0.5
67.05511	0.8
68.99624	0.6
69.03435	10.2
70.06572	0.8
78.66232	0.5
81.03432	5.6
84.15224	0.5
85.02909	12.2
87.04469	1.1
90.00983	0.5
95.04984	2.5
97.02896	58.4
99.04447	8.6
103.03926	0.7
104.07120	1.0
107.04939	1.1
109.02879	8.5
115.03929	10.7
120.08137	0.7
121.06506	5.1
123.04435	30.4
127.03925	13.7
137.05980	1.5
140.04707	5.7
145.04979	4.3
153.01819	0.6
153.05458	5.5
155.07082	0.8
166.08629	1.1
168.04175	3.0
169.04994	0.8
183.06526	100.0
185.08105	6.8
199.06021	3.1
208.02365	0.6
209.08118	0.8
217.07024	1.0
223.06104	0.9
227.40306	0.6
241.07071	8.2
251.09119	0.7
259.08115	9.1
293.10196	2.9
373.70764	0.6
384.14471	5.5
407.13287	0.9
443.15552	9.8
546.21936	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24916	0.6
51.53487	0.5
52.91438	0.6
53.03965	3.1
67.49654	0.6
68.85542	0.7
69.03435	4.5
70.06646	0.8
71.04999	0.9
77.04642	0.7
81.03419	7.4
85.02910	6.3
97.02917	4.5
99.04458	41.5
107.04960	61.6
109.02902	4.0
119.04998	0.9
121.06474	5.5
123.04446	5.0
127.03944	4.1
128.07100	3.0
137.06017	4.4
143.04951	4.3
145.06479	7.7
149.06055	0.7
161.05980	11.0
175.07570	14.4
178.08714	3.5
180.10191	0.7
183.06627	0.8
191.09526	0.8
192.10263	0.9
209.09758	4.1
227.64238	1.0
237.09087	7.8
251.09079	0.9
255.10159	11.6
269.11728	19.1
286.14383	29.6
286.17520	1.1
293.41739	0.8
298.14429	6.6
320.09091	12.9
376.12839	1.0
384.14099	1.0
384.18414	1.4
460.19434	1.1
517.60309	0.9
546.23444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99598	0.3
53.03964	3.5
53.04161	0.3
56.53345	0.3
57.03450	0.4
58.98627	0.4
60.41470	0.3
69.03434	5.7
71.04989	1.8
73.02932	0.6
81.03419	10.9
85.02908	6.8
86.09719	0.4
95.05013	0.5
97.02872	3.5
99.04455	51.7
101.35185	0.4
107.04954	71.3
109.02863	3.3
115.05437	0.5
121.06507	2.3
127.03926	3.6
136.07599	0.7
137.05975	10.2
143.04912	6.1
145.05005	0.6
145.05200	0.7
145.06487	9.2
151.07579	2.7
160.05199	1.7
161.05943	0.4
163.07535	2.4
163.65196	0.4
175.07536	24.2
178.08620	2.9
197.72731	0.4
209.09612	7.5
219.08044	0.7
237.09103	14.2
243.08630	0.5
252.11630	0.4
254.09427	0.8
269.11713	46.7
269.84763	0.4
284.12823	0.7
286.14368	31.8
546.23364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.6
56.66745	0.6
63.54769	0.5
65.66109	0.4
69.03436	4.7
70.06607	2.6
71.04981	1.2
81.03429	7.5
84.08145	1.4
85.02910	8.2
86.09727	1.3
87.04462	0.7
87.10037	0.6
97.02908	2.9
99.04460	50.6
107.04956	66.9
107.72895	0.7
109.02904	3.5
115.05492	0.8
121.06535	1.0
127.03914	4.2
136.07568	0.9
137.05972	6.4
143.04883	7.1
145.06496	10.2
151.07568	3.4
160.05246	1.2
163.07567	3.0
169.05013	0.8
175.07536	24.2
175.08995	0.9
178.08650	2.7
206.96645	0.6
207.06619	0.9
209.09596	7.4
219.08083	0.8
237.09100	12.1
241.08928	0.8
254.09215	0.8
269.11719	41.4
286.14365	37.2
354.09790	8.4
546.16412	4.9
546.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
57.60176	0.6
59.70417	0.5
60.51243	0.4
69.03432	4.4
71.05013	1.2
81.03423	10.5
82.60855	0.5
83.47191	0.5
85.02917	7.1
86.45253	0.5
87.04485	0.6
97.02905	3.9
99.04458	50.8
107.04958	73.5
109.02901	3.2
109.62010	0.5
117.06985	0.6
121.06522	1.4
127.03906	4.1
131.04953	0.9
136.07603	1.4
137.05972	9.7
143.04915	7.6
145.05133	1.0
145.06522	8.5
151.07591	2.9
161.18066	0.6
163.07605	2.5
175.07538	26.5
178.08667	1.3
192.10129	0.6
209.09627	7.5
219.08134	0.7
237.09067	12.6
254.09496	1.1
269.11713	41.5
286.14374	34.1
475.10522	0.6
546.23395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29005	0.8
53.03952	3.4
56.67922	0.8
58.06613	3.7
64.10496	0.8
64.25435	1.0
69.03433	5.2
81.03415	10.0
85.02906	6.7
97.02894	4.3
99.04457	50.6
107.04952	48.8
109.02922	2.2
119.04926	1.7
121.06490	6.3
123.04440	7.8
127.03927	1.7
133.06514	1.2
137.05983	1.4
139.36752	0.9
143.04944	4.0
145.06490	7.2
149.05934	1.4
161.05962	19.3
166.08646	1.1
166.22916	0.9
178.08690	2.2
209.09805	1.5
225.09207	1.1
237.09123	3.9
243.10252	5.2
255.10143	25.4
286.14365	38.1
298.14355	1.7
371.18063	1.2
430.59222	1.1
501.44724	1.0
546.23370	100.0
552.41003	0.9
553.61908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64763	1.2
53.03957	1.9
55.01883	2.4
62.54177	1.4
67.11424	1.4
67.81193	1.6
69.03418	3.8
70.06586	2.5
81.03411	14.7
81.05769	1.5
85.02906	9.8
97.02896	3.6
99.04454	59.2
107.04961	77.6
109.02869	3.8
119.27551	1.7
121.06572	2.6
123.04466	1.8
127.03895	6.3
130.67589	1.5
137.05989	12.9
140.35091	1.6
143.04939	7.9
145.06480	10.8
147.04401	12.4
149.05933	1.7
151.07549	2.9
161.05923	3.0
163.07512	1.8
175.07536	25.5
177.05492	2.1
178.08604	2.7
209.09758	5.6
237.09135	13.1
255.10109	2.0
267.73398	1.9
269.11716	38.3
271.14169	1.9
286.10818	9.2
286.14377	42.8
305.42422	1.8
315.89731	2.0
528.20074	2.4
546.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24916	0.6
51.53487	0.5
52.91438	0.6
53.03965	3.1
67.49654	0.6
68.85542	0.7
69.03435	4.5
70.06646	0.8
71.04999	0.9
77.04642	0.7
81.03419	7.4
85.02910	6.3
97.02917	4.5
99.04458	41.5
107.04960	61.6
109.02902	4.0
119.04998	0.9
121.06474	5.5
123.04446	5.0
127.03944	4.1
128.07100	3.0
137.06017	4.4
143.04951	4.3
145.06479	7.7
149.06055	0.7
161.05980	11.0
175.07570	14.4
178.08714	3.5
180.10191	0.7
183.06627	0.8
191.09526	0.8
192.10263	0.9
209.09758	4.1
227.64238	1.0
237.09087	7.8
251.09079	0.9
255.10159	11.6
269.11728	19.1
286.14383	29.6
286.17520	1.1
293.41739	0.8
298.14429	6.6
320.09091	12.9
376.12839	1.0
384.14099	1.0
384.18414	1.4
460.19434	1.1
517.60309	0.9
546.23444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28996	0.3
53.03948	2.5
58.06609	0.4
69.03435	5.3
71.04993	2.0
71.30553	0.4
78.19177	0.4
81.03423	8.9
85.02911	6.8
90.12928	0.5
93.25320	0.4
97.02914	4.8
99.04455	53.4
103.03926	0.5
107.04955	74.8
109.02875	3.3
115.05449	0.7
117.07042	0.5
121.06492	1.7
127.03874	3.6
131.04871	0.9
137.05965	11.2
143.04933	7.4
145.04948	0.5
145.05391	0.7
145.06490	9.7
151.07561	4.0
160.05194	0.8
163.07555	3.7
168.50044	0.5
175.07541	23.4
178.08688	2.9
181.10117	0.5
192.10252	0.9
209.09593	7.5
219.08101	0.8
223.07599	0.5
237.09084	15.1
240.07864	0.5
247.95221	0.5
254.09366	1.9
269.11700	43.8
286.14362	32.1
357.32837	0.5
384.14435	2.0
483.62387	0.5
546.23364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.1
57.03419	0.4
58.69580	0.3
63.19592	0.4
68.83842	0.4
69.03429	5.4
71.04986	2.2
71.84737	0.4
81.03421	10.2
85.02906	7.5
97.02908	4.0
99.03505	0.6
99.04457	54.6
107.04958	74.1
109.02903	3.3
115.05464	0.9
121.06511	2.3
127.03925	4.1
131.04884	0.5
132.05077	0.4
137.05978	11.1
143.04919	7.3
145.04962	0.7
145.06493	10.4
151.07542	2.9
160.05205	0.9
163.07567	3.1
175.07541	26.2
178.08658	2.6
179.03128	0.4
185.64839	0.4
191.08476	0.5
209.09605	8.1
216.21707	0.5
219.38190	0.5
223.07491	0.6
237.09064	15.6
241.08696	0.4
254.09354	0.7
269.11703	48.2
286.14349	35.7
392.45554	0.4
477.41946	0.4
505.44363	0.6
546.23346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
59.62937	0.8
59.89682	0.8
60.62048	0.7
69.03432	4.4
70.06590	1.4
74.64052	0.8
77.44052	0.8
81.03426	8.0
85.02908	8.4
97.02916	4.7
99.04458	37.1
107.04953	40.8
109.02906	3.5
116.57657	0.7
119.04939	1.1
121.06521	5.5
123.04444	5.1
127.03923	3.4
128.07080	3.4
133.06479	1.1
137.06049	3.5
143.04968	3.5
145.04939	0.9
145.06557	4.6
147.04384	1.2
147.22791	0.9
149.05983	1.7
161.05951	12.8
164.07036	1.0
175.07591	1.7
178.08702	5.1
179.92393	0.9
180.10188	1.4
181.34891	0.9
192.10233	1.3
197.22073	0.9
208.09669	1.8
209.09674	1.9
212.81100	0.9
221.57730	1.0
225.09338	1.0
237.09192	4.4
243.10194	1.7
255.10121	14.5
255.12172	0.8
268.09506	1.1
269.11658	6.2
286.11145	1.7
286.14319	29.7
298.14444	5.7
384.18011	3.9
442.14719	0.8
546.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76467	0.5
53.03962	1.1
57.49618	0.5
58.06617	0.9
69.03452	1.0
75.58188	0.6
81.03430	4.5
85.02930	1.4
97.02879	1.2
98.16357	0.7
99.04451	18.6
107.04953	45.7
109.02849	0.9
121.06490	6.4
123.04412	7.9
127.03928	1.1
137.05992	0.9
143.04953	10.6
145.06531	4.5
149.06042	0.7
149.08421	0.9
161.05971	11.7
166.98906	0.7
178.08620	14.8
209.09621	1.0
237.09149	3.9
255.10120	26.7
255.12625	1.2
280.81625	0.7
286.14355	92.6
351.07492	2.6
366.09814	0.8
528.21289	3.1
546.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05724	1.2
51.82936	1.1
64.27268	1.4
70.63080	1.3
80.15326	1.6
95.08573	1.5
101.18257	1.4
102.98109	1.6
111.14256	1.5
133.17938	1.5
190.05025	13.1
204.93127	1.6
249.84985	1.7
290.08163	3.4
294.07733	1.4
304.06168	3.2
307.08792	1.9
318.07748	7.0
318.47736	1.7
319.08383	36.9
319.11819	1.6
320.05530	3.1
320.09161	57.9
320.12695	2.8
322.11090	2.9
334.06818	3.7
334.10733	93.1
336.12491	6.6
440.11572	2.4
470.12354	15.9
484.21396	3.5
502.22406	7.4
516.12585	13.6
546.14514	15.7
546.25153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66122	0.8
57.97046	0.9
67.05524	1.2
69.94056	0.9
91.05515	1.1
94.86536	1.1
101.78162	0.9
107.08590	1.4
115.59750	1.1
121.06526	2.0
133.10110	1.6
219.17720	1.8
248.51949	1.0
250.64653	1.0
290.08185	6.9
302.08237	2.2
304.06036	2.2
318.07593	6.9
319.08350	38.6
320.09027	2.0
321.10019	1.9
334.10742	95.6
336.12430	7.3
344.15805	1.2
384.12784	1.2
466.20404	1.7
480.17941	2.4
484.21222	5.8
494.19708	1.7
496.21780	3.4
498.18832	11.4
510.22787	11.0
512.20654	11.5
528.23828	14.6
546.24951	100.0
546.34375	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05724	1.2
51.82936	1.1
64.27268	1.4
70.63080	1.3
80.15326	1.6
95.08573	1.5
101.18257	1.4
102.98109	1.6
111.14256	1.5
133.17938	1.5
190.05025	13.1
204.93127	1.6
249.84985	1.7
290.08163	3.4
294.07733	1.4
304.06168	3.2
307.08792	1.9
318.07748	7.0
318.47736	1.7
319.08383	36.9
319.11819	1.6
320.05530	3.1
320.09161	57.9
320.12695	2.8
322.11090	2.9
334.06818	3.7
334.10733	93.1
336.12491	6.6
440.11572	2.4
470.12354	15.9
484.21396	3.5
502.22406	7.4
516.12585	13.6
546.14514	15.7
546.25153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98799	4.6
59.49544	4.8
60.86965	5.1
66.15189	4.7
67.05514	60.5
69.07072	10.3
79.05488	34.3
81.00590	4.8
81.07066	78.7
83.08652	6.2
91.05463	12.0
93.07047	37.2
95.04987	5.0
95.08603	67.7
97.03863	4.7
105.07057	21.6
107.08599	52.6
109.10144	41.0
119.08589	28.3
119.46169	6.2
120.39677	5.6
121.10133	63.9
123.11674	8.9
131.08582	9.4
133.10147	11.4
135.11702	38.9
145.10094	8.6
147.11661	12.0
149.13277	25.0
159.11649	18.4
159.46104	5.7
161.13283	8.4
162.45680	5.9
163.14778	8.6
173.13242	10.1
243.21033	24.3
255.93153	6.9
261.22119	89.6
335.25519	11.9
353.17072	5.9
353.26791	100.0
458.11176	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.2
60.08172	4.5
61.80413	0.2
71.02815	0.2
71.07360	1.4
73.44054	0.2
77.49434	0.2
81.07036	0.2
81.56789	0.3
86.09708	21.2
94.11308	0.2
98.98453	0.6
104.10716	2.0
125.00004	12.6
128.43011	0.2
184.07336	100.0
268.17642	0.3
528.34460	1.2
546.35522	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54333	0.9
60.08170	15.6
67.05495	1.2
71.07377	2.3
81.07040	1.8
83.06823	0.9
86.09705	40.2
86.10188	2.1
86.27140	1.1
88.07552	1.1
92.20969	1.3
93.07033	1.7
96.27157	1.1
99.88842	1.0
104.10744	78.1
112.14084	1.1
121.10120	1.1
125.00008	18.8
138.95256	1.5
159.11816	1.1
184.07343	100.0
256.19186	2.1
257.19333	1.6
514.70361	1.5
528.34381	5.4
546.35547	64.5
546.45056	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	3.4
55.05514	17.6
57.03447	5.0
57.07078	17.6
67.05505	34.6
69.03432	33.4
69.07062	42.8
71.08637	6.0
79.05521	12.0
81.03416	65.2
81.07062	58.4
83.08642	35.9
85.02901	33.9
85.06570	4.4
85.10181	3.7
91.05467	6.9
93.07037	25.0
95.04935	4.2
95.08601	56.3
95.95943	3.8
97.02908	27.2
97.06506	7.7
97.10179	32.1
99.04443	7.0
105.07043	12.8
107.08603	23.1
109.02881	30.7
109.10146	35.2
111.11720	8.0
119.08634	4.2
121.06510	3.5
121.10127	36.7
123.11666	13.3
127.03916	28.9
132.82169	3.5
133.06567	3.3
133.10152	3.7
135.11679	24.2
137.13239	4.2
141.78256	3.7
145.10147	4.0
147.11679	5.0
149.13254	7.3
171.11797	3.8
247.24141	4.8
265.25317	15.2
283.26541	4.3
297.05707	4.2
305.24567	5.4
318.77985	3.6
323.25720	6.8
339.25311	3.7
339.74808	3.9
349.27316	4.3
373.27228	23.1
391.28415	85.9
409.29428	100.0
427.30624	38.1
512.33319	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61882	3.7
53.03946	4.3
55.01866	4.2
55.05505	28.9
57.07074	27.6
67.05504	41.9
69.03449	35.1
69.07069	45.4
71.05011	9.5
71.08626	5.4
71.11033	5.3
79.05479	11.2
81.03420	81.9
81.07054	52.3
83.08620	42.4
85.02895	31.1
85.06559	7.3
85.10186	10.1
89.83759	4.9
91.05475	7.4
93.07038	20.6
95.08603	61.0
97.02880	29.2
97.06516	5.9
97.10179	28.8
99.04462	10.6
107.08599	23.0
109.02859	35.6
109.10159	36.7
111.08097	7.3
111.11717	12.5
119.08517	6.9
121.06477	8.6
121.10145	49.4
122.73206	5.3
123.11674	11.8
127.03907	26.3
131.08524	7.4
135.11668	34.5
149.13208	11.1
228.06767	4.8
247.24229	5.4
248.82648	6.6
265.25171	11.3
291.99719	5.4
316.07727	5.1
335.49530	5.2
349.31018	21.5
373.27356	38.3
391.28363	79.1
409.29510	100.0
427.30518	39.1
493.35062	5.6
540.01624	6.2
546.43652	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04905	3.0
54.07544	2.7
57.07077	23.7
69.07071	3.1
70.61595	2.9
71.08636	27.0
85.10183	20.8
87.04462	5.4
89.06029	81.2
91.44288	2.9
93.07016	3.9
105.07011	2.9
119.04956	4.0
119.08666	3.6
121.06497	49.4
133.08607	29.1
135.08038	5.9
147.08051	14.5
149.09641	5.0
165.09116	6.1
177.11240	17.7
185.26662	3.4
247.20537	19.9
266.13629	19.9
267.13971	17.1
270.93698	3.5
282.54153	4.4
291.23001	5.1
403.23148	18.8
482.00009	4.2
529.37366	100.0
546.39520	60.9
572.71515	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1447
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.46324	0.4
76.83414	0.4
78.50281	0.4
95.94537	0.4
114.42119	0.5
119.47768	0.4
283.06070	0.7
284.06769	24.5
299.09119	100.0
306.07516	0.7
308.09067	3.0
309.09476	2.6
318.07486	1.6
319.08044	3.1
320.09042	5.3
321.09644	1.8
322.10474	2.1
334.10770	2.1
335.10980	2.4
336.08588	5.5
336.12091	1.2
337.09009	11.1
337.12549	1.1
338.12866	0.7
339.13184	0.7
411.70404	0.6
487.18918	0.7
547.14691	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75414	0.6
51.21272	0.7
51.45957	0.8
57.03438	0.8
58.45704	0.8
61.02950	0.6
63.95898	0.6
69.03422	3.2
73.07059	0.6
81.03436	1.0
85.02913	3.9
87.04482	1.7
97.02880	1.4
99.04485	0.9
105.07039	11.7
107.04977	1.1
107.68559	0.8
115.05452	3.4
129.07007	1.7
133.06477	17.5
151.07549	1.6
153.07025	1.3
157.06374	0.8
159.24197	0.7
160.05161	3.3
161.05972	39.7
162.06752	1.2
163.07581	3.0
166.06238	4.9
175.03821	0.8
175.07559	8.0
176.08305	1.3
181.08586	16.2
187.07664	0.8
190.06219	21.6
191.07066	8.5
199.07478	3.1
201.09100	1.5
205.08594	34.9
206.09348	9.9
233.09625	1.5
241.91408	1.0
243.07695	0.7
244.08710	1.0
245.09619	2.9
246.10381	2.9
247.77158	1.0
249.09047	1.5
259.07556	1.1
260.08371	1.3
261.09113	7.9
263.10849	0.7
273.09088	4.3
274.09805	7.1
275.10638	3.1
276.11481	12.5
277.08551	8.1
277.12122	3.7
287.06879	1.0
288.07870	1.8
289.08640	11.9
290.09262	2.8
291.10141	8.3
292.11041	5.9
293.11667	6.3
299.00305	0.7
302.09338	1.7
303.10168	4.1
304.10919	20.5
305.08026	14.8
305.11697	15.8
306.08987	1.1
306.12415	4.1
307.09839	1.2
307.13248	24.7
309.11124	1.5
310.11777	1.0
319.09387	1.5
320.10474	19.5
321.11261	21.5
323.12842	5.7
324.13669	0.9
334.10776	1.4
335.12759	100.0
336.13492	16.0
337.10687	3.1
337.14227	4.4
338.15085	3.7
339.12112	1.4
341.13666	2.6
344.82404	1.0
352.12738	1.5
354.14697	1.4
367.10471	2.5
367.15378	60.4
369.17014	4.2
463.55261	0.8
485.10489	1.5
515.14966	7.9
516.19763	3.1
538.63818	0.8
541.72198	0.8
547.18262	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28109	3.3
78.34825	3.1
81.06964	3.1
85.02877	3.1
95.30663	3.5
98.07498	3.1
107.04970	20.2
120.23252	3.4
131.04927	6.7
135.08031	4.5
137.06001	12.7
147.04395	3.8
156.04884	3.1
158.07167	4.3
159.11543	3.8
161.09685	4.1
163.07533	20.7
166.06319	6.6
169.98842	3.5
173.09583	14.3
175.07536	22.4
181.08574	40.2
190.06218	20.3
191.07109	5.3
193.08701	7.3
195.10204	5.4
196.37938	3.5
205.08571	51.8
206.09340	7.3
207.10165	12.4
278.12915	15.5
278.23499	4.6
279.10168	7.0
281.11719	3.7
288.00702	3.8
291.10147	18.6
294.11716	5.2
295.13187	4.2
306.12497	12.8
307.09723	6.2
307.13049	6.5
308.10522	3.5
309.11166	26.1
309.14706	10.6
310.12021	22.3
310.15506	3.9
313.10718	11.7
320.05719	7.2
320.09146	36.1
321.05786	11.8
323.12958	26.5
328.13095	5.1
330.22174	3.4
334.10782	15.5
335.07550	5.8
335.11075	6.0
336.08148	22.2
336.11987	7.1
337.14435	26.6
338.15173	33.5
339.12247	17.0
341.13898	69.6
341.17615	13.9
350.10178	5.9
351.10379	19.0
354.14673	4.6
356.15961	12.6
357.13318	5.4
369.16949	71.7
372.15808	21.9
387.18011	78.3
516.19946	5.4
547.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64941	1.2
55.46799	1.2
57.03448	1.7
65.83646	1.2
69.03434	3.3
69.07497	1.5
74.57735	1.3
81.03455	1.9
85.02907	16.5
86.49973	1.4
91.05470	2.8
97.02896	7.0
105.07036	2.4
105.95296	1.7
106.66730	1.5
115.05460	2.3
119.08569	2.8
129.06981	3.7
133.06459	3.4
137.06009	2.5
147.08023	2.1
159.08038	9.6
161.05971	8.5
166.06258	19.7
169.06419	2.1
175.07539	43.7
176.08321	6.1
181.08594	100.0
185.37263	1.6
187.07533	19.2
190.06268	6.2
191.07115	1.7
199.07607	14.4
201.09113	2.7
205.08591	15.7
207.10167	16.8
261.09201	1.8
277.08575	3.1
289.08694	3.0
291.10272	1.9
293.11713	3.6
295.13327	5.8
304.11047	3.0
305.08316	2.1
305.11691	9.3
309.11115	7.1
319.08765	2.2
320.09174	1.6
321.11288	12.6
323.12695	1.8
324.13531	9.8
325.10648	1.7
334.11026	2.6
335.12619	3.0
336.13516	10.7
337.11108	2.6
340.13016	15.1
347.72592	1.6
355.15433	40.5
367.15375	34.8
369.17004	2.7
441.28366	1.6
520.63123	1.6
547.19800	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3241
Annotation	Westiellamide
Peak:m/z	Relative Intensity
53.37236	2.8
76.61434	3.0
89.55672	3.4
89.85351	2.6
187.29698	3.1
196.34677	3.2
201.12154	2.8
529.38861	4.7
547.32269	100.0
547.39844	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85450	0.8
57.07092	0.9
60.10641	1.0
60.47795	0.8
67.05514	1.3
83.53181	1.0
85.62144	1.0
92.21005	1.1
93.76659	1.0
100.82828	1.1
119.08572	1.1
122.26215	1.0
125.77589	1.1
135.89534	1.2
176.92766	1.1
203.33058	1.1
258.13071	1.0
269.87897	1.0
547.32440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07412	1.0
51.84841	1.0
57.09574	1.1
61.80226	1.0
65.08505	1.1
66.14008	1.0
67.05506	2.4
72.43278	1.0
81.07055	2.7
91.05457	1.7
95.08604	2.0
105.06985	1.7
107.08549	1.3
183.64706	1.2
257.22369	1.2
529.39014	8.6
547.35876	100.0
553.03680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3604
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.10066	0.6
55.05519	0.9
57.03418	0.8
58.99378	0.6
63.28064	0.7
67.05500	4.5
69.07082	1.0
74.44682	0.7
79.05463	0.6
81.07051	5.3
83.08603	1.4
91.05530	0.9
93.07040	1.4
95.08606	3.4
107.08627	1.2
133.10204	1.2
134.81911	0.8
135.11690	0.8
140.35382	0.7
145.10057	1.0
147.11667	1.0
171.11647	0.9
174.42918	0.8
176.36795	0.8
211.09424	5.2
344.92548	0.9
422.11813	0.9
485.41434	0.8
529.38745	4.1
547.35950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04454	0.3
72.65308	0.3
75.77038	0.3
80.64465	0.3
96.41178	0.3
102.20506	0.3
107.04898	0.5
126.90736	0.4
134.60742	0.4
153.58980	0.4
183.68449	0.4
184.54944	0.3
284.09149	5.2
285.09943	29.9
299.11575	2.3
300.12296	100.0
504.18588	3.8
548.17603	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04454	0.3
72.65308	0.3
75.77038	0.3
80.64465	0.3
96.41178	0.3
102.20506	0.3
107.04898	0.5
126.90736	0.4
134.60742	0.4
153.58980	0.4
183.68449	0.4
184.54944	0.3
284.09149	5.2
285.09943	29.9
299.11575	2.3
300.12296	100.0
504.18588	3.8
548.17603	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
58.06609	19.2
61.02918	0.7
66.60290	0.6
66.72276	0.6
69.03439	6.0
69.41441	0.5
71.06317	0.6
73.02898	1.0
81.03430	4.6
84.04465	1.4
85.02454	0.8
85.02905	14.6
85.81903	0.7
86.40224	0.6
97.02889	6.9
99.04400	1.6
103.03840	0.7
103.89256	0.6
107.04889	2.9
109.02908	5.0
113.02372	7.9
118.06554	5.7
123.04429	22.7
127.03914	10.5
128.31552	0.6
129.03307	0.7
130.04991	6.5
131.03369	0.7
135.04385	2.9
142.03201	0.8
142.05040	5.1
145.04913	1.4
146.05997	13.6
147.04402	9.7
149.05867	0.7
152.07092	13.6
162.05484	0.7
163.06215	1.4
164.07050	18.8
176.07033	8.2
186.51263	0.6
190.08524	0.8
207.18179	0.6
211.07373	3.2
236.09065	1.4
239.06973	12.8
245.07994	1.0
246.07497	4.7
246.65379	0.7
255.09973	1.2
257.08078	26.6
258.07443	3.0
264.08658	4.9
274.10757	5.8
276.08447	2.4
282.09415	1.3
286.10571	3.7
294.09689	1.0
294.28894	0.7
300.15646	2.9
309.07544	2.4
313.05148	1.0
323.08954	0.8
324.12103	1.0
340.15308	1.3
341.10226	7.0
386.15707	4.6
404.13123	0.8
426.13864	0.9
548.17163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08997	1.0
64.56050	0.9
67.05519	1.1
70.88540	1.0
74.25347	1.1
94.63790	1.2
109.10168	1.2
127.55655	1.1
174.05537	5.1
227.45023	1.4
254.11670	13.6
269.10678	1.2
277.09607	1.1
298.10803	1.9
322.07257	1.7
332.09262	1.9
333.09961	1.6
336.08765	1.8
337.09329	2.1
346.10815	9.9
346.14743	1.4
350.10419	2.0
362.10297	1.7
376.15445	8.2
377.13049	1.7
379.14157	5.8
380.11267	42.7
388.08041	1.8
390.13538	6.0
391.14478	1.7
394.16476	27.9
402.09729	2.7
404.10654	3.0
406.16537	11.0
407.09924	10.7
416.11243	4.0
417.12180	5.5
422.16025	19.8
432.14386	30.5
450.15491	100.0
548.19141	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1913
Annotation	Cyclorocaglamide
Peak:m/z	Relative Intensity
50.60799	0.5
70.78692	0.6
73.36353	0.6
73.96417	0.6
92.02024	0.5
92.21539	0.9
117.76978	0.7
118.41634	0.7
164.68324	0.6
172.03954	0.7
275.84052	0.7
310.10959	1.0
316.10031	0.8
320.09207	9.8
321.09894	0.7
322.10947	1.3
324.08725	1.3
326.10385	0.9
330.11261	3.2
331.11966	1.1
332.09372	1.2
334.10861	3.7
336.12341	6.5
338.10278	3.2
339.10989	4.1
344.09018	2.3
346.10751	2.7
347.11621	1.5
348.08673	4.1
358.10611	4.4
360.08527	2.3
360.12387	2.1
362.10205	1.3
373.09195	0.7
374.10248	5.9
375.10944	0.7
376.07877	5.8
388.11877	3.1
389.12726	4.6
390.09830	5.3
391.10492	44.5
392.11371	3.9
393.66983	0.7
404.11255	13.1
428.14575	0.8
444.14249	1.0
446.19202	0.9
456.17892	0.9
460.17645	0.9
462.19199	0.8
474.19797	7.2
488.16995	2.5
502.18457	4.6
504.16061	4.6
520.19531	4.5
530.17969	1.4
548.19183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67048	1.0
73.08559	0.8
85.63988	1.0
98.81519	1.0
108.16206	1.0
132.05734	1.3
163.84044	1.0
167.07010	4.6
182.09372	7.0
184.07338	1.6
191.06909	1.6
192.07745	11.7
210.08888	1.7
262.41718	1.3
280.06006	5.2
282.34952	1.0
292.09644	6.9
295.08389	9.7
296.09204	1.8
308.09235	1.4
309.09760	1.7
310.07312	2.1
310.10733	22.9
310.14038	1.9
320.09161	25.7
321.09921	11.4
322.10532	1.2
324.08792	2.2
334.10870	2.4
336.09253	3.9
336.12289	100.0
338.10205	1.6
366.09708	11.9
386.09924	1.4
492.46283	1.5
500.13342	11.9
515.15527	2.3
518.14728	12.2
533.16833	7.7
548.18945	59.3
548.26367	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36469	0.5
57.37931	0.5
59.34649	0.5
62.92260	0.5
63.93814	0.6
67.44942	0.6
73.66160	0.7
75.43441	0.6
103.35466	0.8
118.79903	0.6
141.53281	0.5
167.07079	0.9
290.15302	0.6
294.11215	1.4
306.07040	0.7
319.08392	1.0
320.09070	2.2
322.07068	0.7
324.12616	0.7
334.07101	0.8
334.10745	3.5
336.12360	1.3
359.54330	0.7
454.12888	1.2
460.13785	0.8
464.11499	0.9
467.09946	1.3
468.11014	0.9
470.07965	0.8
472.14102	5.0
482.12222	4.0
483.12671	0.9
484.13956	0.8
485.10849	7.2
486.15384	2.6
488.13373	16.8
497.14743	0.9
500.13388	92.0
503.15762	10.1
515.15759	14.6
532.16064	0.8
533.16461	1.3
548.19073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60799	0.5
70.78692	0.6
73.36353	0.6
73.96417	0.6
92.02024	0.5
92.21539	0.9
117.76978	0.7
118.41634	0.7
164.68324	0.6
172.03954	0.7
275.84052	0.7
310.10959	1.0
316.10031	0.8
320.09207	9.8
321.09894	0.7
322.10947	1.3
324.08725	1.3
326.10385	0.9
330.11261	3.2
331.11966	1.1
332.09372	1.2
334.10861	3.7
336.12341	6.5
338.10278	3.2
339.10989	4.1
344.09018	2.3
346.10751	2.7
347.11621	1.5
348.08673	4.1
358.10611	4.4
360.08527	2.3
360.12387	2.1
362.10205	1.3
373.09195	0.7
374.10248	5.9
375.10944	0.7
376.07877	5.8
388.11877	3.1
389.12726	4.6
390.09830	5.3
391.10492	44.5
392.11371	3.9
393.66983	0.7
404.11255	13.1
428.14575	0.8
444.14249	1.0
446.19202	0.9
456.17892	0.9
460.17645	0.9
462.19199	0.8
474.19797	7.2
488.16995	2.5
502.18457	4.6
504.16061	4.6
520.19531	4.5
530.17969	1.4
548.19183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51445	0.2
63.50510	0.2
65.68340	0.2
70.06588	0.5
78.64120	0.3
85.02896	1.6
89.03907	0.6
91.26816	0.3
94.78011	0.3
97.02883	0.4
99.04445	0.5
99.37632	0.3
105.08638	0.3
117.03352	2.8
127.03953	0.6
140.18581	0.3
145.02840	31.1
147.21562	0.3
149.05966	1.3
175.03850	0.5
177.05457	100.0
202.32178	0.3
206.08064	0.6
207.06429	0.7
334.08902	0.3
368.11191	1.6
369.11783	5.2
386.12195	0.4
462.12946	0.3
548.20050	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93735	0.6
53.03959	0.7
53.23572	0.6
54.69423	0.5
54.72374	0.6
57.03433	1.1
58.06603	0.7
64.56749	0.7
69.03435	11.3
73.02921	1.0
81.03423	8.6
85.02909	13.7
87.00835	1.1
91.05482	0.8
97.02892	5.7
99.04463	3.8
107.04955	59.2
109.02898	8.4
119.04959	1.2
121.06513	4.1
122.85941	0.8
127.03921	10.1
127.80839	0.7
129.01805	0.9
133.06499	1.2
137.05992	8.3
143.04893	5.4
145.06505	9.4
151.07536	3.6
163.07536	2.5
175.07544	21.5
180.10223	0.7
187.05978	0.9
192.10210	3.8
197.09674	2.7
209.09621	6.5
211.11360	1.1
220.09808	0.8
225.09198	1.2
237.09099	10.8
239.10660	1.3
254.09671	1.1
257.11685	1.5
268.13290	1.3
269.11700	27.3
269.14334	1.3
270.85974	0.8
271.13419	1.2
288.14636	0.7
293.86224	0.7
298.14499	0.9
300.15936	48.2
321.77036	0.7
322.10736	2.8
399.73315	0.8
504.22244	5.1
548.21277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02523	0.8
53.03965	1.7
54.24659	0.8
56.00480	1.0
57.24193	0.8
58.06599	5.1
61.02903	1.1
65.80072	0.9
69.03439	10.0
73.02916	1.4
77.36041	1.1
81.03414	9.6
85.02917	12.1
97.02876	4.3
99.04465	9.1
103.03938	1.4
107.04958	64.3
107.05686	2.2
107.82584	0.9
109.02921	8.9
109.82494	1.0
115.05431	1.1
121.06519	4.7
127.03928	10.0
133.06514	1.4
137.05952	11.0
143.04976	4.5
145.04916	1.1
145.06502	6.8
151.07561	2.2
163.07567	2.6
167.06947	1.1
175.07535	18.7
180.10266	1.8
192.10187	2.1
197.09648	1.5
209.09621	6.3
217.27937	1.0
220.09628	4.3
225.09323	1.3
227.80077	1.1
237.09071	8.7
257.11569	2.5
269.11685	29.9
270.11459	1.8
271.13254	1.1
300.15936	42.4
307.08493	1.3
311.12753	1.1
322.10703	13.8
350.88043	1.3
386.12341	4.7
386.16464	1.3
504.22775	7.1
548.21320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23891	0.8
61.02942	1.0
69.03426	9.8
73.02934	1.0
81.03431	11.0
85.02914	14.1
95.82999	0.9
97.02905	5.0
99.04470	5.5
107.04959	62.5
109.02888	9.3
119.04929	1.2
121.06532	4.1
127.03925	11.3
131.04904	1.1
137.06021	10.6
143.04987	4.7
143.34686	0.8
145.04991	1.6
145.06479	7.9
151.07648	3.7
163.07539	3.2
167.18396	0.9
175.07552	23.4
186.65324	0.9
192.10265	5.6
197.09688	1.6
209.09735	6.7
225.09171	2.1
237.09093	9.9
243.23253	0.9
256.53320	0.9
257.11731	3.6
269.11725	34.6
271.13376	1.9
300.12527	1.9
300.15948	49.0
350.10419	1.4
386.12378	1.5
504.22198	5.1
548.21356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03437	1.4
58.06599	3.8
61.02914	0.8
62.25829	0.7
69.03425	7.9
70.37329	0.7
71.04977	0.6
73.02921	0.8
79.38712	0.7
81.03414	6.0
85.02897	12.1
97.02927	5.4
99.04484	3.4
103.03941	1.5
107.04957	59.1
109.02905	7.8
115.05475	0.8
119.04936	1.1
121.06510	4.9
127.03051	1.1
127.03885	10.9
137.06001	8.7
143.04915	6.7
145.04985	1.6
145.06494	6.9
147.08063	1.1
151.07588	4.6
161.05986	0.9
163.07552	1.6
175.07518	20.2
187.06007	1.0
192.10201	2.9
196.10695	0.8
197.09657	2.9
205.90359	0.8
207.06448	1.5
209.09618	7.1
214.88123	0.8
225.09166	4.4
237.09055	12.1
239.10635	1.3
254.09431	1.2
257.11719	1.6
269.11716	31.3
271.13406	1.9
298.14319	1.0
300.15930	46.0
322.10806	1.4
330.24945	0.8
368.11301	1.4
386.16330	1.1
504.22174	5.7
548.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.57588	1.0
58.06592	2.1
69.03429	2.9
70.06588	9.1
81.03429	10.0
83.27991	1.5
85.02892	11.5
85.33274	1.3
89.19616	1.6
97.02898	3.5
99.04462	39.9
104.95067	1.5
107.04974	2.5
109.02895	2.4
119.04916	2.5
121.06514	3.0
123.04427	20.2
127.03904	6.5
143.04938	6.0
145.02856	11.7
147.04405	3.3
161.05943	19.9
163.03917	2.0
164.07051	55.6
175.03896	17.5
177.05452	50.2
180.95998	1.4
181.82930	1.6
207.06516	22.8
271.09738	11.9
288.12259	9.3
290.22369	1.8
292.05887	2.0
307.08505	5.9
318.07404	1.7
320.05524	7.9
320.08939	1.9
322.07150	14.2
323.08066	10.3
335.07883	53.6
335.11642	2.9
336.08539	9.2
337.09348	14.1
338.10147	28.8
350.06363	2.8
350.10245	49.7
368.11273	100.0
369.11652	2.2
386.12231	11.2
496.51395	1.7
530.16650	20.4
548.21637	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32827	0.8
69.03437	2.0
70.06625	0.9
80.93555	0.9
81.03452	1.2
85.02937	1.6
95.04991	0.9
95.23919	0.9
95.25668	0.8
97.02875	1.2
99.04488	1.2
107.04958	53.3
109.02897	1.2
121.06540	5.1
127.03920	2.1
137.05954	8.5
137.27989	0.9
143.04938	12.6
145.06476	10.0
147.08151	1.1
148.07559	7.8
151.07562	1.2
162.09053	1.0
162.59276	0.9
163.07573	1.1
169.24220	0.9
175.07512	7.2
178.08623	7.1
180.10223	3.6
192.10196	13.5
206.72910	1.0
209.09651	2.0
237.09015	7.5
269.11716	25.9
269.14355	1.3
271.60757	1.1
298.14514	5.2
300.12500	7.5
300.15903	85.1
368.15097	1.4
504.22485	5.9
548.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34566	0.8
63.81442	0.9
69.03430	3.7
69.81541	0.8
81.03395	1.5
85.02914	2.2
91.50852	0.9
95.81368	0.9
97.02882	1.1
99.04463	1.1
101.55070	0.9
107.04958	48.9
109.02872	1.6
121.06519	5.1
127.03941	1.8
137.06000	5.8
142.02257	1.0
143.04897	13.7
145.06458	7.7
147.08107	1.1
151.07582	1.4
175.07550	7.4
177.05487	2.0
178.08617	1.0
180.10205	2.0
192.10168	13.4
206.11819	1.7
209.09702	3.9
237.09123	6.5
269.11664	28.9
269.14267	1.1
286.00571	1.2
298.14417	5.5
300.12524	6.8
300.15915	73.3
362.72458	1.1
368.11359	4.2
386.12183	2.0
402.44498	1.1
504.22238	5.4
548.21313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32827	0.8
69.03437	2.0
70.06625	0.9
80.93555	0.9
81.03452	1.2
85.02937	1.6
95.04991	0.9
95.23919	0.9
95.25668	0.8
97.02875	1.2
99.04488	1.2
107.04958	53.3
109.02897	1.2
121.06540	5.1
127.03920	2.1
137.05954	8.5
137.27989	0.9
143.04938	12.6
145.06476	10.0
147.08151	1.1
148.07559	7.8
151.07562	1.2
162.09053	1.0
162.59276	0.9
163.07573	1.1
169.24220	0.9
175.07512	7.2
178.08623	7.1
180.10223	3.6
192.10196	13.5
206.72910	1.0
209.09651	2.0
237.09015	7.5
269.11716	25.9
269.14355	1.3
271.60757	1.1
298.14514	5.2
300.12500	7.5
300.15903	85.1
368.15097	1.4
504.22485	5.9
548.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.57588	1.0
58.06592	2.1
69.03429	2.9
70.06588	9.1
81.03429	10.0
83.27991	1.5
85.02892	11.5
85.33274	1.3
89.19616	1.6
97.02898	3.5
99.04462	39.9
104.95067	1.5
107.04974	2.5
109.02895	2.4
119.04916	2.5
121.06514	3.0
123.04427	20.2
127.03904	6.5
143.04938	6.0
145.02856	11.7
147.04405	3.3
161.05943	19.9
163.03917	2.0
164.07051	55.6
175.03896	17.5
177.05452	50.2
180.95998	1.4
181.82930	1.6
207.06516	22.8
271.09738	11.9
288.12259	9.3
290.22369	1.8
292.05887	2.0
307.08505	5.9
318.07404	1.7
320.05524	7.9
320.08939	1.9
322.07150	14.2
323.08066	10.3
335.07883	53.6
335.11642	2.9
336.08539	9.2
337.09348	14.1
338.10147	28.8
350.06363	2.8
350.10245	49.7
368.11273	100.0
369.11652	2.2
386.12231	11.2
496.51395	1.7
530.16650	20.4
548.21637	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79514	0.1
55.02991	0.1
56.00354	0.1
59.28044	0.1
74.73889	0.1
79.25722	0.1
87.91985	0.1
128.17935	0.1
290.07986	0.2
292.09656	2.3
313.84070	0.1
318.07736	0.6
319.08191	0.2
320.09152	100.0
321.09464	2.0
322.09659	1.6
334.10654	0.6
336.12082	1.1
337.12628	0.1
338.13843	0.1
502.45181	0.1
548.22760	35.6
562.23193	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64418	0.7
60.17674	0.6
81.09634	0.7
92.22821	0.7
94.86942	0.7
105.27737	0.9
169.67183	0.7
185.53337	0.8
187.25580	0.7
255.89423	0.8
293.10587	1.5
294.11224	25.3
306.11060	5.9
308.09259	11.8
308.12592	1.8
320.09253	3.1
322.10675	33.3
323.11517	59.5
334.10791	3.9
336.12259	9.1
337.13135	3.1
338.13828	74.8
350.14014	4.6
352.15833	0.8
548.22882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45937	0.7
59.05155	0.7
65.34134	0.7
66.22569	0.9
66.97727	0.7
114.09209	1.8
133.11952	0.9
177.63777	0.8
197.60242	1.0
294.11206	14.6
306.11508	4.2
308.09329	8.7
308.12997	11.9
319.08380	1.3
320.09381	3.3
320.12811	3.2
321.09760	1.8
322.10730	24.7
323.11493	41.5
334.10739	2.0
335.11359	1.1
336.12271	30.1
337.13068	33.7
338.13818	51.0
350.13974	1.9
352.15424	100.0
548.23022	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71106	0.2
76.33192	0.2
89.26917	0.2
93.91267	0.2
177.17654	0.2
232.37164	0.2
286.81506	0.2
292.09644	2.9
317.06750	0.8
318.07712	0.4
319.08710	0.3
320.09174	100.0
321.09448	1.8
322.09753	2.2
334.10785	0.8
335.07755	0.3
336.12363	2.5
337.12683	0.2
350.10095	1.3
548.22754	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19219	0.3
52.35305	0.3
54.88872	0.3
60.56556	0.2
64.83727	0.3
67.93980	0.3
71.07163	0.3
72.11800	0.3
89.85502	0.3
103.66488	0.3
145.45454	0.3
208.25786	0.3
266.53366	0.3
290.05298	0.3
292.09598	2.4
319.08453	0.5
320.09167	100.0
321.09579	1.6
322.10089	0.6
334.10876	0.4
336.12280	2.8
337.09299	0.4
548.22845	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45560	0.2
55.63015	0.3
55.63288	0.2
56.52753	0.2
57.06282	0.2
62.48895	0.2
68.64695	0.2
73.50677	0.2
79.32188	0.2
89.18413	0.2
94.29939	0.2
100.25863	0.2
109.08678	0.3
109.48730	0.3
292.09650	3.5
318.07669	0.4
320.09177	100.0
334.10925	0.4
336.12265	3.3
435.47598	0.3
548.22766	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65914	0.2
64.00661	0.2
85.29464	0.2
102.49277	0.2
105.63837	0.2
163.17241	0.3
176.06992	1.0
234.59651	0.3
249.89198	0.2
292.09698	2.7
318.07706	0.4
320.09171	100.0
336.12381	1.2
394.52914	0.3
548.22821	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37133	0.8
83.78740	1.0
105.07061	4.1
110.35938	1.1
111.07439	0.9
149.06020	1.8
166.52458	1.1
182.04082	1.0
189.00806	2.0
203.56429	1.0
203.80988	1.0
279.09030	1.4
291.08658	1.1
294.08185	2.2
294.11249	26.1
294.14282	1.4
306.11530	6.2
307.08591	1.8
307.12213	1.6
308.09326	11.6
308.12531	2.1
319.08524	4.8
320.09494	5.5
321.09760	4.9
322.10782	33.1
323.11517	69.9
334.10724	8.5
336.12363	26.2
337.12860	18.9
338.13843	76.1
350.14059	5.9
352.08264	17.1
352.15341	22.0
488.19022	2.0
531.18451	2.0
548.23029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75473	0.2
79.44225	0.2
122.32072	0.2
176.07037	0.5
290.07941	0.4
292.09637	3.1
303.93652	0.2
318.07587	0.4
319.08148	0.3
320.09158	100.0
334.10626	1.0
335.11215	0.3
336.12354	1.0
548.22833	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07610	0.2
54.41711	0.2
57.72504	0.2
67.39363	0.2
99.02867	0.2
109.95956	0.3
236.14891	0.3
292.09601	2.7
300.53351	0.3
315.08673	0.3
320.09167	100.0
321.09464	2.5
322.09821	2.4
334.10675	0.3
336.12250	1.2
352.15549	0.4
548.22742	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
80.86169	0.4
88.15118	0.4
88.17754	0.4
292.09747	2.2
300.09558	0.7
318.07315	0.6
320.09161	100.0
321.09836	1.9
334.10693	0.5
336.12277	6.7
341.38770	0.5
548.22687	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37133	0.8
83.78740	1.0
105.07061	4.1
110.35938	1.1
111.07439	0.9
149.06020	1.8
166.52458	1.1
182.04082	1.0
189.00806	2.0
203.56429	1.0
203.80988	1.0
279.09030	1.4
291.08658	1.1
294.08185	2.2
294.11249	26.1
294.14282	1.4
306.11530	6.2
307.08591	1.8
307.12213	1.6
308.09326	11.6
308.12531	2.1
319.08524	4.8
320.09494	5.5
321.09760	4.9
322.10782	33.1
323.11517	69.9
334.10724	8.5
336.12363	26.2
337.12860	18.9
338.13843	76.1
350.14059	5.9
352.08264	17.1
352.15341	22.0
488.19022	2.0
531.18451	2.0
548.23029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92162	4.8
53.93165	5.0
61.08834	5.4
62.06095	10.8
63.49692	5.9
69.07068	14.7
71.08626	6.6
77.83173	6.0
80.79832	6.5
81.07050	10.6
83.08634	8.8
86.09677	7.1
93.73560	6.9
94.17368	5.8
95.08616	12.9
97.06585	7.4
98.98460	43.3
104.10703	10.4
107.08580	13.8
121.10147	12.7
170.16568	7.0
173.02113	8.5
177.16364	8.6
179.14290	31.7
184.07417	30.7
277.21588	11.7
279.60565	8.1
312.33771	7.1
333.27786	100.0
407.31537	90.9
487.28229	36.6
505.28912	66.1
530.32397	38.6
548.32935	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67934	2.9
54.03511	2.5
55.05515	6.3
55.62781	3.6
57.03438	19.2
57.07081	4.4
66.14537	3.8
67.05505	25.0
68.63179	3.1
69.07067	14.4
79.05499	25.7
81.07057	33.3
83.08643	7.0
91.05484	20.1
93.07062	44.9
95.08614	34.7
105.07086	27.4
107.08595	44.2
107.87046	3.6
107.95652	3.1
109.10155	23.8
109.79889	3.2
117.07020	8.3
119.08578	27.7
121.10139	30.5
131.08565	16.1
133.10133	33.4
135.11700	28.4
145.10133	21.1
147.11729	29.9
149.13283	16.5
157.10132	5.5
159.11626	13.1
161.13286	15.0
163.11218	4.0
171.11705	5.0
175.14804	4.7
187.14873	7.1
199.14775	3.6
211.11049	3.5
235.14973	4.0
241.14723	5.1
241.19551	4.4
259.20474	27.6
277.21545	12.5
320.09219	4.6
321.10037	5.0
336.12436	27.0
350.10199	5.2
351.25357	100.0
369.26474	6.4
548.26086	17.1
548.34308	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.5
57.03442	3.9
57.07071	1.9
61.02927	2.2
62.80346	1.4
67.05503	31.1
69.07088	13.9
71.05001	1.9
71.92847	1.6
79.05505	23.5
81.07058	27.9
83.08624	9.5
85.02927	2.6
85.06519	1.7
91.05479	16.8
93.07045	35.5
95.04938	2.5
95.08600	29.0
97.06522	3.8
97.10174	8.7
105.07034	22.1
107.08599	29.1
109.10139	20.4
111.08096	3.1
112.51499	1.6
117.07011	8.3
119.08582	22.3
121.10150	24.1
123.08077	3.4
123.11676	3.2
125.09641	7.1
131.08562	10.4
133.10156	22.0
135.11700	20.0
143.08569	7.0
145.10139	8.2
147.11684	22.5
149.13263	7.6
157.10191	3.0
159.11703	11.5
161.13229	11.0
163.14824	2.3
171.11699	3.7
173.11803	2.8
173.13271	7.8
175.14836	3.7
177.78581	1.9
185.13251	6.6
199.14833	2.8
227.12836	2.0
229.14352	9.6
241.19522	2.9
245.13995	2.2
259.20544	25.2
277.21594	15.3
330.70117	2.2
336.12204	3.0
351.20969	3.2
351.25293	100.0
369.26538	13.5
513.29980	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23622	2.9
55.05518	8.8
57.07077	17.1
67.05511	63.4
69.07063	26.6
71.08637	3.9
72.56339	3.4
79.05493	19.7
81.07071	80.5
83.08607	21.7
85.02919	5.7
85.10218	4.3
91.05511	12.2
93.07014	25.9
95.01321	3.9
95.08613	77.6
97.06528	4.2
97.10165	18.2
105.07044	15.9
107.08595	21.4
109.10165	57.0
119.08556	15.2
121.06508	5.9
121.10127	28.9
123.11707	27.2
133.10138	23.6
135.11693	20.1
137.13266	4.2
141.01791	14.1
143.18262	3.7
147.11676	20.9
149.13219	8.6
149.73378	3.8
151.14836	4.2
161.13252	21.4
163.14812	13.9
175.14833	8.0
189.16206	4.7
220.64754	3.7
230.19414	4.4
245.22588	61.4
263.23688	100.0
337.27301	36.2
355.28372	37.1
495.29919	3.9
513.30811	12.1
522.73279	4.0
548.41473	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19975	3.0
51.19929	2.9
55.05523	7.6
57.07084	8.8
67.05511	61.4
68.09570	3.2
69.07063	24.8
71.08649	6.4
79.05507	21.7
81.07066	83.0
83.08631	30.6
85.02934	5.1
85.10179	5.6
91.05447	3.8
93.07054	21.4
95.08610	89.8
97.06550	4.8
97.10188	17.4
99.08100	4.2
105.07053	8.8
107.08605	19.6
109.10163	57.0
111.08105	3.9
113.02435	6.0
119.08567	8.1
120.98382	3.3
121.10135	28.1
123.11703	16.4
133.10089	18.4
135.11678	18.4
137.13251	7.6
139.78967	3.7
141.01845	9.2
141.12744	4.3
147.11688	7.9
149.13257	6.9
151.14793	6.3
161.13226	18.3
163.14848	9.0
167.03661	3.8
175.14867	15.0
179.17946	3.9
198.14909	4.4
219.81567	4.0
242.16959	4.2
245.22649	56.3
263.23703	100.0
271.11819	4.2
337.27307	65.6
355.28293	35.4
446.40143	4.3
513.30493	7.7
548.41351	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.4
55.05513	3.5
55.96829	1.5
57.03446	1.6
59.72976	1.4
59.77005	1.1
60.76896	1.2
61.02919	2.1
67.05508	19.8
69.07059	9.4
71.04969	1.5
75.85156	1.6
79.05499	20.9
81.03438	1.6
81.07063	19.0
83.08633	2.0
85.02889	5.9
91.05463	15.7
93.07041	36.5
95.08596	20.4
105.07036	30.3
107.08588	25.3
109.06528	2.2
109.10169	8.4
111.08035	1.7
117.07022	13.1
119.08572	29.9
121.06483	1.9
121.10140	21.6
123.11760	1.8
125.09622	2.3
125.79082	1.4
129.07004	3.4
131.08534	10.6
133.10120	31.7
135.08054	1.8
135.11687	17.5
143.08545	8.6
145.10155	14.1
147.11659	30.1
149.09633	2.9
149.13306	10.9
150.48393	1.3
154.58447	1.4
157.10106	7.2
159.11664	16.3
161.09679	1.4
161.13248	16.5
163.11160	1.9
171.11615	11.6
173.13243	7.6
175.14813	5.8
185.13300	10.0
199.14848	5.4
211.57423	1.4
231.21042	2.7
241.19475	10.4
242.49161	1.7
259.20551	37.8
320.09100	6.8
321.09775	2.6
333.24301	1.9
334.10788	1.7
336.12329	16.0
351.25299	100.0
367.22668	3.1
385.23663	6.0
403.24719	6.8
421.25845	10.5
459.27664	1.8
495.29385	2.9
548.25824	6.9
548.33459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.0
57.03442	4.1
61.02915	3.5
65.00640	3.0
67.05503	20.2
69.07074	5.5
73.54712	2.8
79.05506	23.3
81.07066	24.7
85.02910	3.4
91.05474	20.9
93.07048	37.3
95.08604	23.6
97.02869	2.9
105.07038	26.7
107.08600	26.0
109.10188	7.5
110.88030	3.0
117.07037	7.1
119.08606	32.9
121.10139	25.6
129.06992	3.2
131.08554	12.7
133.10107	31.7
135.11702	20.2
143.08598	5.2
145.10121	20.4
147.11693	29.4
157.10118	7.3
159.11685	21.3
161.13229	16.7
163.11165	3.3
163.14894	3.9
169.10054	3.7
171.11644	15.6
173.13263	6.1
175.14725	4.9
178.80516	3.0
185.13219	11.6
199.39761	3.0
241.19516	5.8
242.54596	3.6
259.20609	47.9
336.12268	13.3
351.25320	100.0
385.23459	4.8
403.24738	13.6
421.25745	15.7
440.12863	3.4
470.70325	3.4
495.29370	4.8
548.26300	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60120	1.1
57.54656	1.1
60.08171	11.3
62.30300	1.0
63.18613	1.1
67.05499	2.7
71.07360	2.1
73.92689	1.1
83.37057	1.2
86.09712	35.0
95.08601	2.5
104.10749	76.3
104.11446	3.0
111.12099	1.2
116.67475	1.4
124.99998	18.3
143.40802	1.5
184.07339	100.0
250.68443	1.3
320.09082	1.3
334.54581	1.4
358.73700	1.2
459.85019	1.4
530.35883	2.9
548.37164	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05336	0.4
57.27021	0.4
58.31777	0.4
59.57025	0.5
60.72099	0.5
63.99898	0.4
64.67784	0.5
66.98717	0.5
85.60028	0.4
88.99691	0.5
91.79528	0.4
118.19164	0.5
131.85104	0.5
151.03917	0.6
181.25844	0.5
188.18027	0.5
290.08130	14.7
302.08087	4.8
304.06030	12.1
318.07620	19.2
319.08389	69.9
320.09128	4.7
322.10553	0.7
334.10733	100.0
336.12292	3.2
337.12607	3.2
359.10107	0.7
368.21036	0.6
373.11768	2.4
384.12241	0.5
549.16449	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04858	0.3
55.67788	0.3
66.95496	0.3
69.84039	0.3
84.00957	0.3
95.17027	0.4
96.50881	0.3
99.70858	0.4
131.26035	0.4
276.06229	0.4
290.08105	8.5
294.11215	1.8
295.11551	2.5
302.08057	2.5
304.06036	8.0
307.11578	0.6
309.09586	0.9
318.07565	10.3
319.08362	40.7
320.09161	11.1
322.10617	2.8
323.11380	5.7
324.11853	5.3
334.10699	100.0
335.11023	0.8
336.12201	0.9
337.12671	1.9
338.13791	4.3
339.10318	0.7
339.14133	7.0
549.23260	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80993	0.4
87.96080	0.5
96.38418	0.5
96.56613	0.5
97.49161	0.5
118.06533	2.4
130.06616	0.4
132.08086	2.4
133.02838	0.8
137.75983	0.5
144.08095	6.1
146.06009	34.4
146.07175	1.1
152.75473	0.6
159.09169	4.5
165.05452	0.6
165.83792	0.6
170.06041	2.2
181.94110	0.6
183.06544	1.1
188.07060	100.0
199.06033	0.5
205.09727	32.3
223.70300	0.5
242.06297	0.5
247.72589	0.5
293.46185	0.5
301.22598	0.6
452.25598	0.5
479.67294	0.6
549.18982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.23836	2.5
65.03941	6.9
65.32097	3.2
67.72800	2.4
68.79504	2.8
78.92813	2.7
79.05489	4.7
82.84948	3.8
91.05509	21.2
93.03394	16.2
95.04974	3.7
95.13450	3.1
103.05485	5.6
105.07001	6.4
106.04185	4.5
107.04962	11.3
109.06543	6.2
110.03673	6.7
111.04476	22.0
119.04948	33.1
121.06475	11.9
125.05988	26.1
131.04898	4.8
133.06508	6.0
137.05972	20.0
137.61871	3.0
145.06503	16.0
147.04430	17.9
149.05969	26.7
151.07520	21.5
153.05457	71.3
153.06595	5.2
153.09010	4.0
159.08063	4.7
161.05956	13.8
167.07034	51.3
173.05659	2.8
174.06746	20.0
175.07553	15.9
177.05521	21.2
179.07030	6.4
181.04984	5.0
181.08614	5.7
186.06708	5.0
187.07520	19.9
199.07413	6.4
199.52650	3.4
204.07870	5.2
209.08067	12.3
216.07860	7.0
219.08006	5.0
229.08612	14.4
233.09578	5.1
236.08269	7.3
247.07512	6.5
249.08998	5.7
251.10660	22.9
261.09048	4.4
263.10501	3.6
264.07870	25.4
265.08575	6.8
267.28577	3.0
276.07809	4.4
277.08517	12.0
278.09341	5.1
279.10019	13.7
289.08755	3.9
291.10165	3.9
293.08206	5.6
297.11349	3.8
307.09671	58.3
308.10431	3.6
309.11252	10.7
311.12534	4.2
320.09113	55.4
321.10797	5.4
324.09756	3.9
325.10925	4.1
336.12222	12.8
339.08145	4.2
339.12259	100.0
340.13083	23.8
346.15305	3.5
351.12161	4.0
369.13040	4.2
513.18158	3.8
531.19659	5.4
549.19415	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66612	0.6
58.88696	0.6
67.32075	0.6
70.06614	0.6
70.96200	0.7
78.04165	0.8
81.03429	0.7
107.04956	74.2
115.05457	1.0
121.06488	0.8
123.04419	11.0
135.04237	0.7
137.06006	0.8
143.02472	0.7
143.04883	5.0
145.06503	7.8
149.05977	1.5
161.05966	30.9
164.06946	0.8
185.62633	0.7
207.06541	1.0
216.23473	0.8
237.09085	5.9
241.08456	0.8
255.10144	52.1
272.12799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2492
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
51.83680	1.0
53.66416	0.9
63.29760	1.1
63.94658	0.9
67.05536	1.2
69.32391	1.0
71.67744	1.0
274.92633	1.2
305.92535	1.3
379.44492	1.3
419.18411	2.1
420.23340	7.8
421.23770	24.4
433.20004	12.9
437.56253	1.3
447.21915	6.8
449.22733	2.7
449.28067	2.4
461.19888	6.7
464.47073	1.5
475.21094	1.6
493.25986	18.1
508.27588	4.7
521.25421	35.6
549.25018	100.0
549.33972	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2495
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
50.17801	0.5
67.05492	0.6
68.09192	0.6
75.37497	0.7
81.07058	0.8
117.89716	0.7
138.62302	0.6
151.95557	0.7
169.38725	0.6
210.11539	1.0
211.12256	0.7
223.12308	0.9
225.13919	0.9
245.52580	0.6
265.13406	0.9
272.07782	0.7
293.12741	5.0
330.19955	0.9
338.53937	0.8
381.20883	1.0
394.18198	0.7
409.20294	10.0
435.17938	5.7
436.22617	2.9
437.19748	1.4
438.20474	6.1
448.22137	3.2
449.19525	1.0
461.19406	1.2
462.24002	0.7
464.22052	11.0
466.23920	1.1
476.22137	3.0
490.23318	1.0
505.26215	1.0
506.23343	0.8
519.20160	1.5
520.21149	1.3
521.25330	6.4
549.24963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2856
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
51.48223	1.5
64.03431	1.7
66.32813	1.6
67.05483	2.1
67.50104	1.8
81.07038	2.7
82.47697	2.1
86.21207	1.8
86.49493	2.0
96.97592	2.0
325.97107	2.1
330.95419	2.4
344.59479	2.2
387.50577	2.1
434.24374	5.2
435.25177	22.5
447.21637	15.6
461.23434	7.6
520.24768	2.2
521.29077	17.9
549.20129	3.7
549.28583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
61.36863	1.5
64.92255	1.4
81.06998	2.0
437.22473	1.7
532.44379	2.1
537.56079	1.9
549.25372	3.2
549.33832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80865	0.7
53.79754	0.7
55.49363	0.7
58.09297	0.7
61.85525	0.7
83.36349	0.8
91.17141	0.7
92.21407	1.3
103.81502	0.8
108.80955	0.8
191.40398	0.8
252.82590	0.9
264.60425	0.9
549.34009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86155	1.2
57.52302	1.2
57.96288	1.2
69.22881	1.4
78.49168	1.3
80.67707	1.2
82.29266	1.5
83.08613	1.8
86.09706	19.3
95.08599	1.8
104.10780	2.2
104.52073	1.5
114.12806	33.4
120.08102	100.0
142.34146	1.6
184.07338	2.0
233.16402	14.8
261.15964	7.9
261.19550	12.6
282.34595	1.7
289.19003	8.4
402.27588	6.6
408.22720	10.5
436.26050	2.9
521.34821	2.9
544.13293	1.8
549.32483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67716	0.4
70.29594	0.4
77.60706	0.4
138.06584	0.5
290.08102	9.1
302.08127	3.3
304.06094	8.3
318.07571	12.4
319.08395	47.1
320.09048	4.8
334.10724	100.0
336.12354	2.0
340.74854	0.5
460.08301	0.7
506.16013	0.7
550.14606	28.4
553.79150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02001	1.1
55.05513	1.0
57.31307	0.9
58.06604	12.0
61.67006	1.3
65.03942	1.4
67.73380	1.0
70.06596	17.3
72.08158	2.1
81.03422	2.6
84.04537	1.3
84.08160	2.1
85.02880	2.7
91.05485	6.5
96.56252	1.1
97.02867	1.4
99.04443	2.8
107.04951	25.0
109.02879	1.8
111.04449	1.5
119.04945	22.0
120.04448	25.1
122.71777	1.2
123.04432	5.5
125.04719	28.4
126.05524	1.9
127.03942	2.5
136.07605	8.9
138.05524	5.3
145.02855	1.6
146.06003	6.6
147.04414	28.8
148.03886	2.9
148.07574	5.6
165.05438	6.4
166.04968	12.0
167.06927	1.9
175.03899	85.3
177.05521	2.7
182.52386	1.3
184.06195	1.6
192.06508	2.0
198.09131	1.3
207.06523	100.0
244.09650	2.8
262.10706	2.0
280.11737	1.4
290.10233	16.3
308.11203	6.1
326.12341	2.2
336.12115	2.1
410.00751	1.4
474.15314	2.9
506.18399	2.2
514.17084	37.3
518.17700	2.1
520.15625	4.9
532.18036	28.0
534.17676	5.9
550.20453	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88459	0.5
53.91294	0.5
69.03420	1.1
70.06577	0.9
70.86371	0.5
74.99955	0.6
81.03418	6.2
85.02921	1.4
91.05471	5.3
93.35645	0.7
99.04462	0.9
107.04996	1.3
109.02882	1.3
119.04947	18.4
120.04464	1.5
121.06511	8.9
123.04394	2.7
136.07591	8.7
137.05963	3.0
138.06323	1.0
145.02823	0.8
147.04411	20.2
147.14243	0.7
157.03929	2.1
164.07054	1.1
165.05473	6.7
166.05008	1.1
173.05896	0.6
175.03902	69.1
177.05479	2.9
182.06723	0.8
182.08112	6.2
190.08679	0.6
207.06522	100.0
272.98331	0.6
351.10675	3.0
369.11777	6.8
550.21906	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78683	0.3
58.06586	1.8
62.92266	0.3
63.73699	0.3
69.03407	0.4
70.06576	0.3
79.84244	0.4
81.03404	0.4
84.04527	0.3
88.85844	0.3
91.37388	0.3
92.20921	0.5
94.21460	0.3
97.02878	0.5
99.04408	0.5
109.02897	0.4
111.40009	0.4
115.67557	0.4
131.04881	2.2
147.04472	0.4
167.06989	0.8
188.07068	3.5
225.08942	0.6
235.07648	0.5
253.08542	0.5
259.67816	0.3
281.08099	0.8
285.11163	2.3
289.20877	0.4
295.09442	0.4
298.08340	0.4
313.10669	100.0
325.10492	1.8
338.30914	0.4
339.08649	0.5
340.11810	4.7
341.10193	6.0
342.13242	4.9
348.33112	0.4
368.11276	0.5
370.08405	0.6
370.12842	12.4
388.14395	0.5
400.30255	0.4
496.16159	1.4
514.16925	0.8
532.18176	4.9
550.19080	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78450	0.2
70.06608	0.3
78.88770	0.3
84.08105	0.4
85.02914	0.4
97.02855	0.5
99.04447	0.5
107.04945	0.8
109.02822	0.3
123.04440	0.4
124.03835	0.3
127.03864	0.5
128.07042	1.3
131.04927	2.4
137.05862	0.4
147.04308	1.3
161.05960	0.4
162.05418	0.5
164.07071	0.5
167.07001	0.6
176.07076	0.4
188.07050	3.2
235.07561	0.5
252.07919	0.4
253.08640	0.5
255.10231	0.7
261.28003	0.4
263.06961	0.4
272.12848	0.4
281.07916	0.6
285.11142	2.4
313.10675	100.0
325.10608	1.4
340.11581	2.5
341.10257	5.8
342.13358	5.0
370.08810	0.7
370.12860	10.2
532.17816	3.1
550.19104	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78450	0.2
70.06608	0.3
78.88770	0.3
84.08105	0.4
85.02914	0.4
97.02855	0.5
99.04447	0.5
107.04945	0.8
109.02822	0.3
123.04440	0.4
124.03835	0.3
127.03864	0.5
128.07042	1.3
131.04927	2.4
137.05862	0.4
147.04308	1.3
161.05960	0.4
162.05418	0.5
164.07071	0.5
167.07001	0.6
176.07076	0.4
188.07050	3.2
235.07561	0.5
252.07919	0.4
253.08640	0.5
255.10231	0.7
261.28003	0.4
263.06961	0.4
272.12848	0.4
281.07916	0.6
285.11142	2.4
313.10675	100.0
325.10608	1.4
340.11581	2.5
341.10257	5.8
342.13358	5.0
370.08810	0.7
370.12860	10.2
532.17816	3.1
550.19104	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20948	0.4
51.67763	0.3
52.24807	0.4
56.47235	0.4
68.40385	0.3
69.03394	0.7
85.02868	1.6
95.04890	0.4
97.02872	0.5
99.04431	1.6
114.09087	0.5
121.06484	1.7
135.49272	0.4
154.19789	0.4
177.05411	0.7
191.14249	0.9
244.35162	0.5
292.09680	9.6
304.09647	0.7
306.07617	2.6
308.09491	0.5
319.08438	0.6
320.09155	11.1
321.09930	31.2
322.11133	0.6
334.10858	1.7
335.11002	0.6
336.12277	100.0
338.13565	0.6
461.85400	0.4
533.25745	2.1
550.20697	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2069
Annotation	Jadomycin B
Peak:m/z	Relative Intensity
50.05658	2.0
54.83641	2.1
59.06128	16.6
68.24535	2.4
85.07677	10.4
86.88882	2.9
103.08732	14.1
162.94926	2.6
214.23740	3.0
235.86610	2.9
320.09009	13.6
320.12686	3.5
321.10056	3.7
322.10794	10.2
328.96628	2.8
336.12247	4.7
338.56610	3.2
350.10196	20.2
360.12604	3.7
374.10275	15.0
375.10886	6.2
376.11826	3.5
388.11746	24.2
389.12637	5.0
427.17682	3.1
430.20358	2.9
440.18469	3.5
442.20447	25.2
443.17065	12.9
458.19608	40.6
468.17905	5.2
486.19241	48.9
504.20151	100.0
532.19751	48.0
550.23401	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39592	0.2
67.71904	0.2
69.03362	0.2
81.03370	0.2
87.98042	0.2
99.04420	0.5
125.09610	0.3
176.07008	0.4
182.05894	0.2
184.07330	0.4
189.11272	0.3
192.10185	0.3
197.71083	0.2
213.33963	0.2
292.09616	1.6
293.10278	0.3
307.08508	1.3
308.08997	0.3
308.12729	1.2
319.08295	0.8
320.09140	15.0
321.09976	6.0
322.10715	12.8
334.10724	1.9
336.12289	100.0
370.07101	0.3
511.97839	0.3
532.23114	1.1
550.24414	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64499	0.3
57.69146	0.3
77.02299	0.3
93.67508	0.4
96.49512	0.3
131.62033	0.3
176.52141	0.4
178.68446	0.4
184.07285	0.4
194.18059	0.3
246.44629	0.5
252.67230	0.3
264.20084	0.3
277.10208	0.4
278.08011	0.4
290.08020	0.6
292.09650	8.8
304.06287	0.4
304.09683	1.8
306.07623	2.7
318.07474	1.2
319.08212	1.9
320.09155	39.3
321.09927	34.2
322.10681	2.9
334.10611	5.5
336.12268	100.0
337.12906	0.4
338.13889	0.5
394.99890	0.3
494.38812	0.4
518.21808	1.5
532.15674	0.4
532.23181	2.3
540.22778	0.3
546.87579	0.3
550.24341	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24902	0.3
54.21976	0.3
57.70056	0.3
63.75201	0.4
65.82755	0.3
93.34714	0.4
97.26060	0.4
117.32020	0.4
137.05922	0.4
145.59586	0.5
167.06976	0.4
176.07095	0.6
184.07220	0.5
217.64697	0.4
292.09680	5.7
306.07422	0.5
320.09167	100.0
321.09879	14.2
336.12283	43.6
338.13849	1.9
518.21765	1.6
532.23462	7.3
550.24359	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07076	0.3
120.58116	0.3
292.09653	3.2
294.11218	0.5
306.07544	0.3
318.07736	0.4
320.09164	100.0
321.09888	3.1
322.10480	0.6
323.11478	3.0
336.12262	10.5
337.12753	2.1
338.13757	7.8
352.15405	1.4
398.36859	0.3
400.77380	0.3
427.03833	0.3
532.23291	9.3
550.24261	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09866	0.3
52.31908	0.3
53.28333	0.3
65.05921	0.3
65.63470	0.4
127.15437	0.4
147.67926	0.3
292.09662	8.7
304.09634	2.1
306.07565	2.6
320.09161	11.1
321.09918	33.1
336.12268	100.0
337.12820	0.8
338.13766	0.8
550.24353	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51383	0.3
57.19557	0.3
59.23179	0.3
59.75222	0.2
61.36180	0.3
63.91324	0.3
70.58122	0.3
75.81788	0.3
78.31087	0.3
81.72987	0.3
92.73241	0.3
93.35216	0.3
131.15561	0.4
183.50568	0.3
246.70804	0.3
292.09653	3.5
294.11209	2.3
308.09045	0.5
318.07571	0.4
319.08365	0.5
320.09161	100.0
321.09882	3.3
322.10471	3.1
323.11447	6.5
334.10779	0.8
336.12228	10.4
337.12592	2.6
338.13788	19.3
338.17914	0.6
352.15421	2.4
532.23279	10.0
550.24121	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63350	2.6
63.70436	2.7
67.05512	3.2
69.14909	2.8
74.92102	2.9
81.07037	3.1
84.84383	2.9
85.50863	3.0
143.09917	3.7
153.21602	3.3
188.73192	3.6
211.63234	3.1
215.54950	3.2
349.01385	3.5
391.07727	3.2
421.23734	3.3
426.45349	3.3
448.18964	3.8
449.23074	16.2
462.20160	6.3
463.21469	3.3
477.22824	25.3
493.21951	4.6
535.23456	18.3
550.17975	5.6
550.25812	100.0
550.39423	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
53.60632	0.2
53.92520	0.2
54.19895	0.2
56.31679	0.3
59.66866	0.3
66.77121	0.4
99.04456	0.4
102.34135	0.3
117.05470	0.4
121.27414	0.3
136.75351	0.3
145.72134	0.3
179.12944	0.4
180.86938	0.3
199.87964	0.3
241.60774	0.4
277.21725	0.4
292.09567	2.9
294.11203	2.4
295.22739	0.6
308.09177	0.6
308.13046	0.4
313.72311	0.4
318.07587	0.6
320.09152	100.0
321.09891	6.9
322.10599	3.9
323.11484	11.2
336.12271	26.9
337.12744	2.8
338.13815	28.6
352.15375	3.1
532.23328	10.5
550.26868	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
108.92243	0.5
118.94063	0.4
135.33411	0.4
192.28310	0.5
260.59055	0.5
292.09674	7.5
293.09845	0.8
294.11002	2.3
304.09485	1.1
306.07568	1.9
308.09357	0.4
311.10117	0.5
319.08279	0.9
320.09155	34.8
321.09930	28.4
322.10593	3.4
323.11478	8.5
334.10565	0.9
336.12286	100.0
337.12662	4.4
338.13797	21.7
352.15454	0.8
532.23401	2.2
550.28180	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68362	0.6
52.21986	0.7
53.03938	0.8
55.05516	1.2
61.00275	0.9
67.05511	1.2
69.03426	1.6
73.02915	6.8
78.87558	0.9
81.03414	3.9
81.07089	1.1
83.08620	1.6
97.02879	1.7
97.10168	11.8
99.04451	26.4
107.08627	1.6
109.02881	8.0
125.09633	16.1
125.51051	0.9
127.03910	8.5
153.09103	1.8
171.10228	3.5
172.05884	0.9
184.07417	1.6
189.11215	15.8
192.14442	1.0
225.07623	1.8
243.08615	6.9
269.50708	1.0
279.12189	1.6
292.09583	8.5
297.13275	1.4
315.14499	1.5
319.08432	3.2
320.09137	100.0
321.09958	22.4
322.10785	1.3
334.10916	4.8
334.30920	1.0
335.11301	1.3
336.12262	59.0
338.13727	1.5
395.17120	9.0
413.18115	6.7
431.19025	1.3
477.89737	1.0
518.21765	5.2
532.23584	5.5
550.24408	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	11.3
65.68990	0.9
66.05853	0.8
71.07373	2.0
86.09710	39.1
104.10744	84.8
125.00013	17.6
147.19418	1.2
184.07339	100.0
188.72276	1.0
201.48701	1.1
208.94048	1.1
241.53996	1.0
264.63828	1.4
320.09155	3.2
334.10791	3.6
336.08521	1.0
336.12360	2.4
431.59009	1.2
532.30554	2.2
550.31445	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44238	0.4
60.08172	5.8
65.87063	0.4
66.82671	0.4
71.07339	1.1
73.93035	0.5
79.65736	0.4
86.09705	24.2
92.20970	0.5
104.10749	10.8
108.47964	0.4
124.99996	13.8
128.59326	0.4
173.36110	0.4
179.34093	0.4
181.08614	0.5
184.07335	100.0
209.39026	0.5
295.72952	0.4
319.08383	1.1
320.09232	3.8
321.09579	3.9
322.10535	0.6
323.10684	0.8
334.10751	2.9
336.12399	2.0
337.12494	0.7
338.13098	1.1
448.64752	0.7
532.30829	2.1
550.24390	2.0
550.31616	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.5
55.05516	4.6
55.60112	1.0
57.03434	1.5
57.07077	6.1
58.66888	1.0
67.05508	14.8
69.07068	22.5
71.04987	2.0
71.08645	1.7
79.05504	5.5
81.07057	20.6
83.04980	2.6
83.08617	16.2
85.06519	1.0
85.10139	1.1
91.03925	1.4
91.05501	2.6
93.07048	14.6
95.08617	16.6
97.06530	4.4
97.10175	5.2
107.08595	15.7
109.10144	14.2
111.08076	2.0
119.08577	2.8
121.06524	1.8
121.10167	12.1
123.11706	4.6
125.09629	1.8
131.08557	2.4
133.10107	1.4
135.08063	2.3
135.11696	21.7
136.57153	1.1
137.09633	1.9
137.13252	2.3
145.10117	2.6
147.11713	1.4
149.09610	2.4
149.13290	5.3
153.12743	41.0
161.13266	2.3
163.14705	1.5
173.13290	2.0
181.15842	1.6
219.17366	1.3
233.22581	5.7
243.21085	2.1
247.76837	1.3
251.23799	4.1
261.22137	4.8
279.23193	14.9
352.08066	13.5
353.26846	100.0
367.10617	6.4
371.27896	13.8
388.28973	1.2
526.69684	1.4
533.39703	1.5
550.24359	2.8
550.39319	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78320	2.6
52.44740	3.2
54.83862	3.8
55.05512	23.4
55.05743	3.1
57.07088	40.1
67.05511	16.6
69.07069	71.2
71.08630	53.0
79.05480	5.0
80.77596	4.0
81.07065	58.4
83.08154	5.9
83.08624	28.7
93.07044	17.3
93.07626	3.9
95.08622	51.5
97.10166	16.6
104.04418	3.5
107.08582	6.6
109.10133	32.0
111.70554	3.6
114.07710	3.4
119.08566	5.0
121.10184	4.2
123.11726	8.6
135.11705	7.0
137.13286	5.4
137.33514	4.5
147.04491	3.8
149.13345	5.3
158.76122	4.3
161.05928	40.0
170.90623	4.2
173.05948	5.3
175.07535	17.7
177.05452	5.9
187.07533	19.8
203.07008	24.3
207.21059	4.8
215.14267	4.8
217.08765	6.7
217.12173	33.2
217.15759	3.9
219.13783	46.3
231.13831	35.8
233.11676	70.7
233.15457	16.1
235.13261	83.1
243.13762	34.5
245.15448	4.2
247.13298	54.7
257.15228	4.5
259.13284	7.2
261.14862	20.9
271.16602	4.8
273.14740	19.6
329.21207	5.8
343.65335	4.7
345.20731	4.3
377.23236	15.8
453.33575	53.7
471.34720	100.0
489.35696	72.7
532.36414	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3866
Annotation	Butenoyl PAF
Peak:m/z	Relative Intensity
60.08173	11.4
63.34494	0.8
67.05512	2.0
69.07074	1.4
71.07375	1.3
71.85390	0.7
77.66544	0.8
79.05515	0.8
81.07091	1.2
81.72735	1.1
83.06209	0.9
84.55466	0.8
85.11854	0.8
86.05492	0.9
86.09714	39.0
86.73442	0.8
95.08656	1.1
104.10750	83.1
121.06473	7.4
125.00014	15.4
148.06233	1.0
184.07346	100.0
194.04506	0.9
194.98247	0.8
255.23395	1.1
283.25592	1.0
288.12357	1.9
290.99374	0.9
340.66995	1.0
462.84564	1.0
509.27637	1.8
522.26086	3.4
532.37714	5.0
550.26532	6.3
550.38770	56.5
553.49988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	8.2
66.07847	0.9
67.05511	5.1
69.07071	4.4
79.05525	0.9
81.07030	3.6
81.72704	0.9
83.08607	2.0
87.65524	1.0
91.05499	1.7
91.09829	0.9
93.07047	2.1
95.08579	2.4
98.09710	1.3
102.14941	1.2
107.08624	1.3
109.10169	6.6
111.11742	1.3
119.08546	1.6
121.10147	1.8
125.09618	1.4
136.11217	2.4
137.09610	2.3
153.13831	2.1
154.12263	100.0
166.15770	1.4
167.15414	2.4
168.13823	44.0
171.14940	4.0
185.16443	12.6
192.07794	2.2
210.18527	36.8
227.21187	5.6
248.08398	1.1
256.37213	1.2
286.21619	2.5
289.25229	2.2
292.09634	4.9
296.08823	1.3
298.71747	1.1
303.24310	10.5
304.22623	6.1
309.09540	1.2
311.10999	4.8
312.11447	1.6
317.24945	1.4
319.08426	5.5
320.09180	60.5
320.26923	1.5
321.09970	7.6
321.25342	51.8
322.10571	1.8
323.11353	4.3
328.26364	1.9
334.10764	7.6
335.11148	1.2
335.26483	1.8
336.12231	22.2
337.12799	5.0
338.13803	10.8
338.28143	6.0
341.24359	6.1
345.29007	4.8
346.27335	5.4
352.15424	5.5
363.30023	28.0
366.26514	1.9
368.10358	2.1
372.28513	1.2
380.32730	2.1
502.13754	1.9
518.20630	1.2
532.22943	4.7
532.30170	1.3
532.40820	5.3
550.19092	13.5
550.25635	13.9
550.42151	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21122	0.6
52.74224	0.6
56.05040	6.1
65.28220	0.6
67.05509	5.2
69.07082	4.1
69.43425	0.7
70.06599	1.1
79.05502	1.1
81.07071	3.9
83.08612	0.9
84.08195	0.7
91.05487	1.6
93.07025	3.1
94.12318	0.9
95.08644	1.6
97.01711	0.7
97.10176	1.0
105.07081	1.0
107.08595	1.4
109.10184	6.8
111.11722	1.3
117.33315	0.7
119.08558	3.0
121.10144	1.4
130.66496	0.8
133.10207	1.3
135.61273	0.8
136.11237	2.9
137.09648	3.3
150.12805	0.9
153.13899	1.8
154.12271	73.3
166.15981	1.4
167.07123	0.8
167.15448	3.0
168.13829	32.8
169.07759	0.8
171.14966	4.1
184.07472	0.8
185.16507	5.8
192.07819	3.1
193.08199	1.2
201.01070	0.7
206.69492	0.8
209.20123	1.5
210.18526	28.0
212.16595	1.0
227.21266	4.2
286.21671	1.9
292.09763	5.0
294.11197	1.0
296.08777	1.1
297.09052	1.0
303.24368	10.4
304.22787	5.3
305.22168	0.8
310.10648	3.2
311.11041	4.0
312.11456	4.0
320.09189	100.0
320.26749	1.8
321.09860	12.0
321.25385	43.3
322.10635	1.5
323.11566	3.9
328.26431	1.6
336.12320	40.6
337.12784	1.7
338.13873	13.1
338.28043	4.3
341.24548	1.3
345.28934	6.3
346.27567	1.6
348.25360	1.9
362.31735	1.0
363.30035	22.2
366.26508	1.7
368.10660	1.0
380.32828	1.5
502.14337	1.2
532.23383	8.1
532.41199	5.4
533.39850	1.2
550.25500	34.8
550.42255	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25414	0.8
80.39350	1.0
83.93003	0.8
112.17345	1.2
125.00005	5.7
140.08139	0.9
155.42937	0.8
157.98834	1.0
188.07150	4.3
190.08691	3.8
275.07050	4.3
276.07779	1.4
292.06384	0.9
293.06931	5.0
294.07629	4.3
295.08441	5.8
303.06525	1.1
304.07166	7.5
305.06879	1.3
306.07623	16.3
307.08389	56.4
308.09277	3.7
320.09164	5.8
321.09976	11.6
322.10742	23.6
324.08627	2.0
333.10071	4.7
334.10785	1.7
336.12372	3.7
338.10284	4.3
351.10962	1.5
364.14154	16.2
379.16507	100.0
382.15158	15.0
397.17590	56.3
444.10696	1.5
551.17847	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08488	1.1
56.07587	0.9
58.06588	1.2
64.75723	1.0
84.99437	1.1
92.21555	1.2
100.49802	1.1
111.01794	1.1
115.01794	1.2
125.00049	1.8
160.11244	1.2
184.93391	1.3
187.86214	1.2
188.07004	5.8
190.08643	4.9
275.06985	4.7
276.07700	1.6
293.06689	9.1
294.07587	4.6
295.08426	4.3
304.07205	4.6
305.06857	1.4
306.07587	19.8
307.08362	54.6
308.09113	4.8
309.09814	1.6
320.09119	5.9
321.09851	10.2
322.10779	22.6
324.08484	4.5
332.09039	1.8
333.09988	5.4
334.10757	1.5
336.12207	2.4
338.10162	5.1
364.14114	16.1
379.16522	100.0
382.15262	16.9
397.17575	51.0
551.17694	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49532	0.8
56.40516	0.8
57.61634	0.8
61.39255	0.8
68.99995	0.9
72.08157	0.9
73.16415	0.9
88.15182	0.9
92.20946	1.2
102.79163	1.0
104.83562	0.9
125.00004	5.7
133.06413	1.0
149.87672	1.1
161.05986	1.5
188.07043	3.8
190.08620	4.2
207.99274	1.0
275.07053	1.2
293.06894	7.7
294.07678	2.3
295.08554	5.2
304.07333	6.6
306.07639	17.3
307.08386	57.3
308.09137	5.5
309.09973	1.2
320.09262	4.4
321.09970	12.7
322.10730	19.4
324.08765	4.9
332.09598	1.2
333.09946	6.0
334.10568	1.2
336.12421	4.6
338.10184	4.5
364.14166	15.2
372.48303	1.1
379.16516	96.0
382.15308	16.1
397.12396	2.1
397.17587	54.5
444.10736	2.2
461.52368	1.1
551.17822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46524	1.0
65.96450	1.0
71.89911	1.0
73.14999	1.0
81.03406	1.6
114.33487	1.4
125.00011	2.1
127.53670	1.3
188.07050	2.7
190.08621	5.0
206.48805	1.2
209.57712	1.2
275.06992	1.9
293.06784	8.0
294.07684	5.4
295.08542	4.9
303.63846	1.4
304.07318	7.0
306.07553	13.6
307.08365	55.9
308.09235	5.7
320.09286	6.8
321.09882	12.6
322.10760	22.6
324.08676	2.9
332.09027	1.9
333.09888	2.6
334.10748	2.9
336.12384	4.5
338.10278	2.5
348.12097	1.5
351.11163	2.2
364.14096	18.4
379.16513	100.0
382.15240	16.4
397.17566	56.1
444.10919	1.8
551.17786	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20330	0.6
81.03415	1.3
85.02895	4.3
87.10205	0.8
91.05468	4.8
99.04456	8.1
102.47419	0.7
119.04188	1.0
119.04953	18.8
119.12267	0.7
147.04402	22.9
157.04005	1.5
175.03900	76.3
179.07048	1.1
207.06520	100.0
316.49945	0.8
320.09006	3.4
321.09613	6.3
322.10425	3.2
334.10577	3.0
336.12271	20.7
337.08743	1.6
337.12604	36.2
384.67130	0.7
409.46249	1.0
551.24915	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89504	0.8
56.15331	0.9
59.26561	0.8
64.76229	0.9
65.41761	0.9
74.26345	1.0
84.08146	1.3
99.04435	1.1
106.96459	0.9
107.28948	1.0
131.42114	1.0
173.02869	1.4
173.98180	1.0
185.06549	1.3
197.06682	1.9
221.05031	1.6
222.92253	1.3
250.45490	1.0
287.11002	100.0
305.10739	4.3
450.86902	1.3
551.22113	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2651
Annotation	Chisomicine A
Peak:m/z	Relative Intensity
56.02501	0.5
59.05360	0.5
61.60916	0.6
62.92795	0.6
68.33791	0.6
72.35902	0.7
79.83633	0.6
151.00037	0.6
159.69701	0.7
225.73061	0.7
237.13889	0.9
253.13310	0.7
261.54068	0.7
291.14896	0.7
292.18179	2.7
304.18283	1.1
356.72287	0.8
431.15836	0.9
435.21518	1.1
450.23343	1.5
463.21109	5.3
476.08829	0.8
477.22964	4.4
478.23206	6.8
481.26004	0.8
491.24298	1.4
494.22916	2.6
495.27643	0.9
508.24655	3.1
509.25964	1.1
521.21747	4.6
523.26813	4.3
533.25568	1.1
536.24115	7.3
551.26434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55664	0.6
55.91932	0.6
67.09811	0.6
71.42775	0.8
75.43255	0.8
84.73055	0.6
87.23458	0.9
110.41891	0.7
111.62123	0.8
127.17400	0.7
127.28912	0.7
188.03912	0.7
236.69807	0.7
407.22250	1.0
417.90558	0.8
431.18698	3.2
445.20569	3.4
458.21039	3.6
460.22552	34.3
461.23291	1.6
463.21506	1.5
465.23624	0.8
473.23495	4.5
474.24185	3.5
477.26703	5.4
478.23251	0.9
487.24756	6.9
491.24368	3.0
495.27682	3.2
505.25681	1.0
518.23206	2.8
523.27106	7.1
533.25513	38.1
551.26532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2651
Annotation	Chisomicine A
Peak:m/z	Relative Intensity
67.53264	1.0
73.65524	0.8
75.06773	0.8
78.61179	0.8
121.13171	0.9
178.65570	0.9
188.64206	0.8
308.92673	1.0
325.93823	0.9
407.22610	1.2
410.01874	1.1
431.18710	1.8
444.19138	0.9
445.20099	4.8
458.21234	4.3
460.22592	37.2
461.23499	1.9
463.21225	4.0
471.25757	1.0
473.23831	6.3
474.24106	3.8
477.26581	4.8
487.24991	7.7
491.24420	4.9
495.27789	1.6
505.26276	1.4
514.53528	1.0
523.26923	6.9
533.25482	42.2
551.26581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2652
Annotation	Chisomicine A
Peak:m/z	Relative Intensity
50.55066	0.4
53.62799	0.4
54.64706	0.4
55.05518	0.9
55.69238	0.4
67.05505	2.0
69.07052	0.6
79.05504	0.7
79.99823	0.5
81.07068	2.0
91.05498	0.9
93.07009	0.9
95.08610	2.1
105.07030	1.8
107.08604	0.8
114.25069	0.5
117.07008	0.6
119.08595	0.9
121.10131	0.7
131.08574	1.0
133.10185	0.5
135.11784	0.8
137.65567	0.5
143.08612	0.6
145.10181	0.8
159.11693	0.8
169.10168	1.0
171.11728	0.8
181.30728	0.6
183.11763	0.8
184.77554	0.5
195.11597	0.9
197.13269	0.9
199.82585	0.5
209.13298	0.5
211.14723	0.6
224.13136	0.8
237.13922	1.1
239.15593	0.7
251.15450	0.8
267.11569	0.6
298.77155	0.5
407.22369	2.5
421.19400	1.2
421.24075	2.8
422.24585	1.2
431.18826	0.8
433.24017	3.7
435.22534	4.3
445.20258	0.9
446.20694	0.7
447.21985	0.8
449.23651	2.3
450.24048	2.7
460.22516	12.5
461.23190	8.4
463.21231	10.7
473.23361	2.4
473.37177	0.7
474.24023	0.7
476.25589	2.8
477.26532	3.0
478.23618	2.3
479.24298	0.6
493.22064	0.6
494.26956	2.0
495.27341	3.9
522.22791	0.8
523.27112	4.7
533.25452	26.2
536.24316	1.9
551.26563	100.0
551.40143	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83205	1.3
51.36282	1.4
53.70205	1.5
55.01868	2.2
61.02933	2.2
67.05507	3.2
69.03423	13.1
69.07085	2.8
71.04963	2.2
73.02940	1.9
74.53964	1.4
74.60542	1.7
75.29853	1.5
79.05499	2.6
81.03429	18.7
81.07053	9.1
84.22259	1.5
85.02899	33.1
86.83887	1.6
87.00807	12.2
87.19499	1.5
93.07027	8.5
95.08579	3.9
97.02891	11.5
99.04459	6.7
105.01886	9.4
105.07040	9.0
107.08605	9.1
109.02866	17.8
109.10146	2.5
111.90573	1.9
117.01915	1.8
117.06963	2.7
119.08561	1.9
121.10204	2.9
127.03918	24.4
129.07011	2.2
131.08568	3.9
133.10159	3.7
135.11682	2.8
143.08617	3.3
145.05000	8.0
145.10133	21.2
147.11700	9.1
151.64125	1.6
155.08562	3.5
157.10181	10.4
159.02895	8.6
159.11732	14.7
161.13200	1.8
165.58868	1.7
169.10025	3.0
171.11639	13.3
173.13269	10.6
177.12663	2.0
183.11797	3.3
185.13301	7.1
187.14873	1.8
197.13242	32.0
199.14851	8.7
211.14876	8.1
212.15536	3.5
225.16325	1.8
227.18019	3.7
231.04976	2.8
253.19470	100.0
271.20428	14.3
285.22101	87.5
287.23694	2.3
293.10034	8.1
303.23206	11.4
307.08206	2.7
311.05789	1.7
320.09094	14.7
321.09790	31.7
322.10181	23.7
323.11392	3.0
324.11798	3.9
334.10736	2.3
336.12256	54.0
337.12622	87.7
338.13843	9.7
339.14108	13.8
352.15533	2.7
435.12735	1.8
519.26276	8.0
533.27802	3.6
551.19830	11.8
551.28394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3552
Annotation	Leu Lys Tyr Lys
Peak:m/z	Relative Intensity
54.03331	0.6
55.65058	0.5
59.45452	0.6
62.11174	0.6
75.06584	0.8
78.29970	0.6
100.59364	0.6
104.54405	0.7
128.51703	0.6
151.89728	0.8
192.87151	0.7
202.46901	0.7
242.19296	0.7
269.48401	0.7
331.45148	0.8
407.22397	1.1
421.24432	1.1
460.22614	2.9
461.23398	2.6
463.20996	1.0
533.25464	7.7
551.26306	20.5
551.35358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3554
Annotation	Leu Lys Tyr Lys
Peak:m/z	Relative Intensity
61.92427	1.3
67.05540	1.4
81.07059	1.7
150.01579	1.6
195.63690	1.4
197.40755	1.5
551.26477	8.6
551.35352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98498	0.6
89.80260	0.6
111.68876	0.6
137.05954	1.0
191.83121	0.7
193.09956	0.7
221.20467	0.7
290.08041	11.8
302.08124	1.5
304.05969	7.5
318.07571	13.6
319.08380	60.5
320.09030	1.1
334.10724	100.0
336.12503	0.7
395.75177	0.7
552.13190	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39367	0.8
51.08806	1.0
56.05030	0.9
58.06610	81.1
69.03431	3.8
70.06592	13.1
71.04980	1.6
72.08173	1.0
72.85195	0.8
81.03421	3.7
85.02921	6.9
87.04466	1.4
97.02916	2.0
107.13683	1.0
109.02911	1.7
114.61619	1.0
119.04955	2.1
119.08585	2.0
120.08109	1.8
121.06461	1.3
122.09676	5.0
123.11695	1.6
127.03959	1.7
128.07114	1.1
130.08673	2.0
131.95345	1.1
133.10147	1.4
137.08400	4.0
147.04440	1.2
148.07578	2.2
166.08620	14.7
175.03905	13.7
175.14748	7.4
177.05463	2.4
184.09743	9.0
207.06520	15.7
227.16504	2.1
243.06538	9.6
245.19878	1.2
254.05824	6.3
257.08087	4.1
269.08066	75.4
271.06061	5.3
281.04404	1.3
285.07547	22.7
295.05936	14.5
299.09149	4.4
320.09695	1.2
327.08511	2.0
330.07248	15.0
345.09805	19.4
378.09818	1.3
390.15439	39.8
436.17636	8.6
534.12543	1.2
534.19379	8.2
552.20856	100.0
552.29541	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	100.0
62.18352	1.9
69.07076	1.9
69.72912	2.0
70.06609	2.8
70.43034	2.1
71.04995	2.6
81.03398	3.2
85.02899	3.8
93.57258	2.6
95.04988	2.6
95.08585	3.8
99.04429	3.0
99.86494	2.3
116.34126	2.3
121.06445	3.6
126.05492	2.1
133.10072	8.1
145.02888	18.3
147.04410	5.1
150.66302	2.2
153.55238	2.5
177.05475	30.2
207.06549	3.6
209.15344	3.7
375.12335	4.2
552.20563	80.3
557.37708	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00522	0.6
65.60303	0.6
75.02716	0.6
78.18992	0.6
88.98254	0.6
93.65199	0.7
115.06093	0.6
133.95512	0.6
157.51561	0.7
184.16597	0.8
294.11108	1.5
295.93231	0.7
308.09433	1.5
308.12805	12.8
314.06406	0.8
319.08286	1.6
320.09039	6.0
320.12772	2.7
321.09888	5.8
322.10727	8.7
323.11554	7.3
334.10678	4.1
335.11057	3.9
336.12320	29.9
336.16440	1.1
337.13037	39.7
338.13831	21.8
347.73730	0.7
352.15417	100.0
425.14157	0.8
446.08926	0.7
516.75916	0.8
552.26263	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23123	0.9
54.41636	0.8
57.32371	0.8
57.33308	1.0
61.23396	1.0
67.07101	1.1
84.24013	1.0
88.44859	1.0
99.04465	2.8
118.55676	1.1
127.03952	1.3
154.94588	1.1
292.09814	1.5
294.11401	2.1
308.09418	2.0
308.12692	11.3
320.09219	8.4
320.12766	1.5
321.09903	18.8
322.10669	14.7
323.11548	16.4
330.17026	1.2
334.10843	1.3
336.12305	71.9
337.13049	35.0
338.13812	40.4
352.11136	2.9
352.15402	78.1
520.23706	1.5
534.24976	2.0
552.26160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02347	0.6
56.48000	0.5
56.68668	0.6
58.06586	1.0
60.08166	1.4
69.03435	100.0
69.99090	0.7
86.09701	5.6
87.04467	15.4
92.20965	1.1
97.32782	0.8
104.10748	14.9
105.05508	3.8
122.38435	0.6
125.00011	2.7
138.89714	0.7
155.07039	16.1
173.08075	4.6
184.07352	17.5
191.09109	1.0
240.62799	0.8
241.10709	4.2
259.11752	8.0
277.12750	2.6
319.08331	1.0
320.09128	5.8
321.09534	1.4
322.10147	1.7
326.59622	0.7
334.10684	6.2
336.12262	2.8
345.15341	7.7
363.16467	4.8
431.18918	3.0
449.20364	6.2
517.23138	1.1
534.23865	1.1
534.31866	1.2
535.23645	1.5
552.33624	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.03418	0.2
58.06608	9.8
59.18027	0.3
59.39428	0.2
61.02930	0.3
61.25629	0.3
67.05500	0.3
69.03414	0.6
69.07072	4.8
70.74067	0.2
71.04964	0.4
81.07047	1.4
83.08612	1.3
85.02912	2.8
85.06562	0.3
91.05511	0.4
95.08596	3.7
97.02886	0.5
99.04447	0.4
105.07034	3.2
107.08585	1.5
109.02892	1.1
109.10149	6.2
110.91142	0.3
119.08582	22.7
121.06513	0.5
121.10152	0.7
123.11655	0.3
133.10130	20.6
135.11690	2.6
137.06023	0.4
137.09628	3.3
147.11659	3.5
151.14861	0.7
160.12494	0.6
173.13152	0.4
175.03856	0.4
175.14818	100.0
177.16408	0.4
193.15886	13.7
207.06535	0.3
217.09633	0.3
242.97791	0.4
269.08047	0.5
295.06131	0.5
296.10413	0.5
345.09653	0.3
355.21271	0.4
390.15308	1.8
552.21069	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09945	0.3
55.05529	0.4
56.00504	0.3
58.06603	4.7
67.05509	0.5
69.03418	0.7
69.07070	3.4
70.06586	2.1
77.36247	0.3
77.66478	0.3
81.03436	0.5
81.07050	0.8
81.26492	0.3
83.08621	0.7
85.02898	1.5
87.04420	0.3
89.74047	0.4
91.05479	0.5
93.07034	0.4
95.08591	4.1
97.02882	0.6
99.04469	0.6
103.98000	0.3
105.07051	4.2
107.08586	1.8
109.10152	5.5
114.17512	0.4
114.24418	0.5
117.97261	0.3
119.04937	1.5
119.08582	23.9
121.10134	1.7
127.03946	0.6
128.05290	0.3
131.08463	0.4
133.10129	19.8
135.11694	2.4
136.07607	0.4
137.08385	2.1
137.09601	2.4
147.04424	1.7
147.11688	3.5
148.07561	0.6
151.14821	0.7
160.12450	0.4
166.08665	4.4
175.03899	3.3
175.14813	100.0
177.05464	0.8
184.09735	3.0
193.15874	12.2
195.79820	0.4
207.06494	4.4
243.06447	1.4
269.08060	3.9
285.07608	0.8
295.05969	0.6
307.42261	0.4
361.69366	0.4
390.15381	2.0
436.17801	0.5
534.20087	1.9
552.20917	11.9
552.29303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.03418	0.2
58.06608	9.8
59.18027	0.3
59.39428	0.2
61.02930	0.3
61.25629	0.3
67.05500	0.3
69.03414	0.6
69.07072	4.8
70.74067	0.2
71.04964	0.4
81.07047	1.4
83.08612	1.3
85.02912	2.8
85.06562	0.3
91.05511	0.4
95.08596	3.7
97.02886	0.5
99.04447	0.4
105.07034	3.2
107.08585	1.5
109.02892	1.1
109.10149	6.2
110.91142	0.3
119.08582	22.7
121.06513	0.5
121.10152	0.7
123.11655	0.3
133.10130	20.6
135.11690	2.6
137.06023	0.4
137.09628	3.3
147.11659	3.5
151.14861	0.7
160.12494	0.6
173.13152	0.4
175.03856	0.4
175.14818	100.0
177.16408	0.4
193.15886	13.7
207.06535	0.3
217.09633	0.3
242.97791	0.4
269.08047	0.5
295.06131	0.5
296.10413	0.5
345.09653	0.3
355.21271	0.4
390.15308	1.8
552.21069	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09945	0.3
55.05529	0.4
56.00504	0.3
58.06603	4.7
67.05509	0.5
69.03418	0.7
69.07070	3.4
70.06586	2.1
77.36247	0.3
77.66478	0.3
81.03436	0.5
81.07050	0.8
81.26492	0.3
83.08621	0.7
85.02898	1.5
87.04420	0.3
89.74047	0.4
91.05479	0.5
93.07034	0.4
95.08591	4.1
97.02882	0.6
99.04469	0.6
103.98000	0.3
105.07051	4.2
107.08586	1.8
109.10152	5.5
114.17512	0.4
114.24418	0.5
117.97261	0.3
119.04937	1.5
119.08582	23.9
121.10134	1.7
127.03946	0.6
128.05290	0.3
131.08463	0.4
133.10129	19.8
135.11694	2.4
136.07607	0.4
137.08385	2.1
137.09601	2.4
147.04424	1.7
147.11688	3.5
148.07561	0.6
151.14821	0.7
160.12450	0.4
166.08665	4.4
175.03899	3.3
175.14813	100.0
177.05464	0.8
184.09735	3.0
193.15874	12.2
195.79820	0.4
207.06494	4.4
243.06447	1.4
269.08060	3.9
285.07608	0.8
295.05969	0.6
307.42261	0.4
361.69366	0.4
390.15381	2.0
436.17801	0.5
534.20087	1.9
552.20917	11.9
552.29303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	2.2
57.07062	1.3
58.06608	14.6
61.02921	3.1
69.03434	1.8
69.07068	6.0
71.04985	1.7
73.92213	1.3
79.05491	9.7
81.07057	6.6
85.02913	14.4
91.03951	8.7
91.05476	3.3
92.73188	1.3
93.07053	14.0
95.08614	25.1
97.02895	3.7
99.08078	3.3
104.81516	1.4
105.07039	52.7
107.08597	21.4
109.10149	3.3
119.04920	1.8
119.08577	59.2
121.10142	3.7
123.11722	2.7
127.03902	2.5
133.10132	71.5
135.11678	41.8
137.09619	3.3
145.04982	6.9
147.04361	2.2
147.11662	2.9
163.05995	16.4
175.03964	1.8
175.14809	100.0
193.15842	13.4
206.11745	2.5
207.06468	2.3
246.14879	34.2
265.08527	1.8
278.26407	1.4
297.11389	1.5
306.17047	2.3
320.09149	3.2
321.09915	9.2
322.10571	2.0
325.11249	7.7
336.12262	25.8
365.13287	1.7
534.18982	3.0
552.19604	13.3
552.27698	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99593	5.5
56.99706	6.6
60.06535	5.3
60.21941	6.9
67.73047	6.7
69.07083	30.8
73.75484	5.9
76.85789	6.3
81.07055	28.0
85.02900	30.7
97.10194	9.2
97.79278	6.4
109.10186	6.5
127.06493	6.1
149.05959	33.2
161.05997	12.8
163.03773	8.5
165.42055	7.2
175.07616	15.1
189.05560	15.2
189.09052	12.7
191.10559	25.2
201.09084	12.8
203.10674	100.0
205.12186	63.2
215.10690	31.8
217.08601	12.4
231.10144	63.5
245.11765	13.9
249.11177	91.7
271.13416	7.9
271.16931	15.7
287.16422	15.8
289.14340	9.1
299.16605	9.3
308.27887	7.9
319.08313	10.9
320.09137	78.3
322.10834	8.7
327.23199	93.0
334.10687	28.0
458.85040	8.3
552.24371	11.1
552.32080	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24718	2.1
67.05518	3.4
69.03429	2.8
81.07067	24.9
85.02909	4.9
95.08617	2.9
97.10173	3.5
109.06545	3.9
121.06465	3.2
121.69150	2.6
137.13268	3.9
149.06049	4.4
150.87863	2.5
173.72281	2.6
175.03886	5.5
177.12349	2.9
181.04893	3.1
187.07622	2.7
187.11151	4.4
189.09137	4.0
193.04974	23.1
231.10074	4.5
237.11076	3.1
243.13785	10.3
247.49173	3.0
249.11224	100.0
255.09210	2.9
271.13239	12.8
271.16782	2.8
288.69846	3.1
289.14310	17.8
290.21152	4.3
298.77792	2.8
317.17502	10.5
319.08209	6.0
320.09113	11.7
334.10696	18.6
335.11032	4.1
336.12192	5.0
391.42691	2.8
524.18909	2.8
552.35010	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00734	0.7
58.06598	1.3
59.34608	0.6
60.08175	9.8
62.51237	0.6
67.05527	0.9
69.03433	20.9
71.07383	1.9
72.20998	0.8
81.07047	1.0
86.09711	34.9
87.04465	3.4
88.27604	0.7
93.07045	1.0
104.10748	81.8
124.99989	12.5
128.67172	0.8
155.07004	3.3
180.78641	0.9
184.07336	100.0
258.11209	1.0
284.68561	0.9
319.08350	4.4
320.09125	3.8
321.09641	1.4
322.10205	2.0
334.07318	1.0
334.10632	7.8
336.12296	2.1
363.16449	0.9
452.24072	11.0
534.24554	1.5
534.31757	6.7
552.18811	1.0
552.25696	3.2
552.33008	38.9
578.47437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3295
Annotation	Leueantine C
Peak:m/z	Relative Intensity
50.96793	0.4
52.19076	0.4
52.53250	0.4
52.85231	0.4
53.68311	0.4
56.04775	0.6
56.05046	17.4
57.03454	0.6
57.07087	4.4
64.37048	0.4
67.67625	0.4
71.08637	3.5
74.06088	2.8
81.07047	1.1
83.08628	0.9
85.10184	2.1
87.04464	2.4
95.08624	1.9
97.32940	0.5
109.10170	1.1
133.90500	0.4
142.08644	100.0
144.03613	0.5
153.76550	0.4
160.09702	5.2
240.06337	0.7
313.27350	18.5
320.08609	0.5
330.44107	0.5
534.31940	4.7
552.32971	17.8
552.40881	1.1
579.61700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.8
58.40267	0.3
60.08170	5.5
64.90264	0.3
69.83756	0.3
69.96278	0.3
71.07335	0.7
78.58263	0.3
81.06969	0.4
86.09707	23.4
93.07008	0.5
98.98410	0.5
99.04453	0.3
104.10738	7.6
124.99096	0.5
124.99996	11.6
138.61650	0.3
184.07336	100.0
200.31761	0.3
206.24785	0.4
280.10986	0.3
280.78055	0.4
282.73282	0.3
319.08359	0.8
320.09161	2.2
321.09616	2.9
322.10254	1.7
323.11499	0.3
334.10797	3.1
335.11160	0.5
336.12302	2.9
338.13824	0.6
339.14258	0.4
340.14865	0.5
452.24124	2.1
534.24518	0.7
534.31293	2.2
552.17358	0.6
552.25598	2.6
552.33173	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
58.06588	0.5
60.08173	10.8
67.05479	1.5
69.03418	1.7
69.18294	0.3
71.07351	2.1
81.07048	1.0
86.09708	36.4
93.07016	1.0
95.08616	0.8
98.98472	0.4
104.10744	73.9
107.08612	0.6
119.08558	0.4
124.99995	15.5
163.01532	0.9
182.22069	0.4
184.07332	100.0
319.08377	1.6
320.09039	3.5
321.09607	2.1
322.10010	0.9
334.10751	4.0
335.11313	0.7
336.12207	0.7
340.14438	0.7
373.49487	0.4
416.44980	0.5
446.33676	0.5
452.24075	11.8
516.30719	0.9
534.31720	7.7
552.32990	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3319
Annotation	Leueantine C
Peak:m/z	Relative Intensity
52.17783	0.7
61.21033	0.6
64.56920	0.8
66.00852	0.8
68.37347	0.9
70.11176	0.8
79.05505	1.9
85.87836	0.7
93.07043	1.3
93.52523	0.7
99.89336	0.8
103.05467	12.4
107.04958	6.6
112.10853	0.7
121.06522	1.6
131.04936	7.8
131.23013	0.8
149.06056	0.8
158.05138	1.0
292.09784	1.6
306.07724	0.9
321.10043	5.1
322.10672	1.1
334.10861	1.4
336.12289	12.6
337.12851	0.9
365.46838	1.0
368.25870	6.9
386.26843	15.1
404.28079	5.7
516.31049	24.6
534.32135	78.6
552.18652	6.6
552.25403	4.3
552.33191	100.0
552.69733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4019
Annotation	Butanoyl PAF
Peak:m/z	Relative Intensity
50.58142	0.3
50.94864	0.3
52.60732	0.3
59.59114	0.3
60.08170	4.3
71.07376	0.7
86.09707	22.2
95.64523	0.3
98.98480	0.6
104.10751	2.5
125.00007	11.3
139.67340	0.3
145.79283	0.3
184.07335	100.0
184.56381	0.3
204.00331	0.4
210.67853	0.4
534.39026	1.4
552.40326	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	1.0
60.08176	12.2
71.07385	1.4
71.08620	1.0
76.52380	0.7
78.17612	0.6
81.07068	0.9
86.09712	36.5
92.21009	1.4
95.08579	1.0
96.37275	0.7
97.10191	1.0
102.63016	0.9
104.10748	82.7
107.51475	0.8
125.00007	14.9
163.01566	1.0
170.86681	0.7
184.07338	100.0
343.17776	0.8
365.17352	1.3
411.17673	1.1
427.40512	0.9
455.97437	1.0
534.39056	3.7
552.40228	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	36.3
58.83584	6.3
71.08633	28.7
85.10215	21.3
86.94402	6.3
89.06031	100.0
89.42886	7.5
90.71741	6.0
92.20950	9.5
101.58178	6.4
105.07114	6.9
107.08526	6.6
129.76994	7.4
133.08612	29.1
149.22540	7.2
150.34373	7.0
152.65370	6.0
203.37175	7.6
217.90656	7.8
249.99692	6.8
281.10324	7.6
294.11395	8.3
296.12836	36.3
330.62265	9.1
535.45905	64.2
552.36530	57.9
552.49438	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.057
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82276	0.8
75.30070	0.8
81.54922	0.9
94.93005	1.8
124.80969	0.8
162.95622	1.2
164.93481	1.2
172.74042	1.0
186.93121	0.9
210.94066	100.0
228.94202	1.8
232.92282	0.8
273.09784	0.9
343.19412	0.9
381.07947	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08927	0.7
50.62507	0.9
51.24748	1.0
58.17268	0.8
78.95147	1.0
103.34740	1.1
210.94069	100.0
210.97221	2.7
212.85223	1.2
228.94228	4.1
291.77737	1.2
381.07858	12.1
553.05511	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05512	2.4
57.07083	2.8
60.37603	0.3
67.05506	1.6
67.69032	0.3
69.07056	0.8
71.04988	0.4
71.08623	1.8
78.42767	0.3
79.05505	0.7
81.07057	2.3
83.08622	2.0
85.10187	0.7
86.06019	0.3
91.05483	10.5
93.07039	0.4
93.64961	0.4
95.04980	0.5
95.08595	1.9
97.10149	2.5
98.98432	1.4
107.08611	0.7
109.10146	1.3
110.21120	0.4
121.10133	0.5
123.11690	0.4
125.09619	0.7
131.04942	1.8
135.11702	0.3
137.13312	0.3
139.14110	0.3
141.01840	0.6
142.94530	0.3
155.01001	2.4
165.01833	12.8
167.03377	0.6
173.01987	0.3
179.03380	8.2
183.02884	9.1
191.03329	0.4
197.04431	6.1
197.06100	0.5
213.05429	0.6
237.09026	0.7
241.08582	0.4
251.07028	0.8
257.08127	1.6
265.08435	0.8
269.08035	5.6
271.09641	2.2
283.06042	3.3
283.09564	17.9
285.07556	24.9
297.07568	100.0
305.24698	0.6
313.27286	0.5
322.27353	0.8
324.28851	1.4
393.24057	1.3
441.22375	0.4
455.37369	8.9
553.14789	30.6
553.32642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55672	0.2
57.07088	0.2
64.12112	0.2
72.66534	0.2
81.07028	0.2
85.10178	0.2
86.28406	0.2
90.64075	0.2
91.05472	2.4
92.21539	0.3
95.08613	0.4
96.41597	0.2
97.10187	0.2
105.03410	0.4
122.46470	0.2
165.01794	0.4
170.21805	0.2
179.03427	2.2
183.02924	0.4
197.04489	1.1
201.71944	0.2
202.68561	0.2
247.57256	0.2
271.06006	0.4
271.09561	0.3
283.06009	100.0
297.07504	1.2
455.37363	0.5
474.74121	0.2
553.15015	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12773	0.1
58.63884	0.2
60.41629	0.2
63.18626	0.2
67.05505	0.2
81.07055	0.3
87.35429	0.2
95.08611	0.3
97.10134	0.2
105.03410	0.4
109.10152	0.2
111.61510	0.2
120.46462	0.2
141.70880	0.2
157.08952	0.2
159.71564	0.2
165.01810	0.2
179.03404	1.5
183.02835	0.4
193.12222	0.3
197.04330	0.7
232.37788	0.2
283.06006	100.0
360.18045	1.0
434.42581	0.3
472.12372	0.2
493.07773	0.3
553.30316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.05510	7.1
56.85564	0.5
67.05512	1.2
69.03427	5.8
70.06599	0.6
71.04997	11.2
73.06547	1.4
79.18196	0.7
81.03422	11.6
83.04986	38.5
85.02913	7.2
90.97372	0.8
92.11018	0.6
93.03431	4.2
95.04952	1.4
97.02918	4.9
99.04458	100.0
101.06021	31.4
109.02862	2.6
111.04446	16.4
117.05492	9.2
119.07066	1.2
121.02870	11.5
127.03898	4.8
137.08162	0.6
139.03905	39.9
145.04980	2.7
145.74268	0.7
154.16896	0.6
157.04941	11.2
239.09186	1.3
243.08574	2.4
257.10107	5.5
261.09644	6.0
275.11249	15.5
293.12259	20.8
327.10614	1.1
354.09845	1.2
355.09940	4.6
372.10773	0.7
373.11087	0.8
535.20337	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.05510	7.1
56.85564	0.5
67.05512	1.2
69.03427	5.8
70.06599	0.6
71.04997	11.2
73.06547	1.4
79.18196	0.7
81.03422	11.6
83.04986	38.5
85.02913	7.2
90.97372	0.8
92.11018	0.6
93.03431	4.2
95.04952	1.4
97.02918	4.9
99.04458	100.0
101.06021	31.4
109.02862	2.6
111.04446	16.4
117.05492	9.2
119.07066	1.2
121.02870	11.5
127.03898	4.8
137.08162	0.6
139.03905	39.9
145.04980	2.7
145.74268	0.7
154.16896	0.6
157.04941	11.2
239.09186	1.3
243.08574	2.4
257.10107	5.5
261.09644	6.0
275.11249	15.5
293.12259	20.8
327.10614	1.1
354.09845	1.2
355.09940	4.6
372.10773	0.7
373.11087	0.8
535.20337	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
73.75006	0.6
81.45444	0.6
92.21532	0.9
93.94388	0.6
112.74291	0.6
115.41304	0.6
120.21780	0.6
121.06465	1.0
154.35403	0.7
205.08449	0.6
292.09537	8.4
304.09708	1.0
306.07648	1.2
309.13181	1.4
320.09262	11.3
321.09943	30.3
322.10281	1.4
323.11133	1.5
324.11786	1.3
334.10611	0.9
336.12280	100.0
337.12796	6.4
338.13412	4.7
339.14102	6.1
352.15475	3.6
353.15720	10.0
377.16501	0.8
492.19565	1.1
509.69839	0.7
553.20831	46.5
557.43390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22002	0.3
58.06603	0.4
67.05504	0.4
70.17165	0.4
71.51322	0.3
77.97524	0.3
85.00944	0.4
85.02910	0.5
89.87228	0.4
103.43874	0.3
105.07040	0.4
120.90436	0.3
121.06495	0.6
206.73993	0.4
291.09195	0.4
292.09662	10.1
304.09689	1.6
306.07587	3.2
320.09204	10.9
321.09952	30.0
322.10529	1.4
324.12146	0.5
325.12665	0.5
334.10764	2.0
336.12289	100.0
337.12808	3.4
351.10556	0.5
434.19626	2.1
464.57892	0.4
553.21704	47.2
559.49683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70695	0.2
59.07805	0.2
62.21313	0.3
67.53198	0.2
69.03430	0.4
81.07060	0.5
93.07072	0.4
95.08653	0.4
97.37038	0.3
109.11582	0.3
109.58735	0.3
292.09619	9.3
304.09653	1.8
306.07645	2.7
309.09851	0.6
310.10318	0.4
319.08359	0.4
320.09161	11.3
321.09940	33.2
322.10324	2.5
323.10770	0.5
323.75369	0.4
324.12393	1.9
325.12552	2.3
334.10629	0.5
336.12292	100.0
337.12631	4.9
404.18851	0.4
434.19501	1.5
506.21701	0.4
535.24847	0.7
553.21539	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78506	0.3
63.19300	0.4
85.31034	0.4
202.39810	0.4
292.09656	11.9
292.12463	0.6
304.09717	2.4
306.07501	3.3
319.08371	0.6
320.09174	11.4
321.09933	34.0
322.10507	2.6
323.11185	1.0
324.11862	0.9
334.10770	1.9
335.10941	0.7
336.12283	100.0
337.12695	4.6
338.13376	2.0
339.13791	1.6
404.18506	0.8
434.19608	0.9
553.21661	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
73.75006	0.6
81.45444	0.6
92.21532	0.9
93.94388	0.6
112.74291	0.6
115.41304	0.6
120.21780	0.6
121.06465	1.0
154.35403	0.7
205.08449	0.6
292.09537	8.4
304.09708	1.0
306.07648	1.2
309.13181	1.4
320.09262	11.3
321.09943	30.3
322.10281	1.4
323.11133	1.5
324.11786	1.3
334.10611	0.9
336.12280	100.0
337.12796	6.4
338.13412	4.7
339.14102	6.1
352.15475	3.6
353.15720	10.0
377.16501	0.8
492.19565	1.1
509.69839	0.7
553.20831	46.5
557.43390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.4
64.73469	0.3
67.04451	0.2
73.61578	0.3
123.77268	0.3
127.00800	0.3
159.02710	0.3
164.07033	1.5
176.07030	3.5
268.74683	0.3
292.09778	2.6
320.09183	100.0
322.10248	0.3
336.12201	0.3
340.90582	0.3
553.23328	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81953	0.4
58.06606	5.2
66.79591	0.5
69.07063	0.6
70.06611	2.6
91.05470	0.6
103.90313	0.5
117.03414	1.0
117.43599	0.6
121.06505	2.2
127.03875	0.6
129.16780	0.6
137.06035	0.5
137.59720	0.6
145.02823	7.7
147.04485	1.2
149.05986	0.7
155.15776	0.5
164.07040	0.7
167.07031	0.7
176.07109	3.0
177.05467	11.3
292.09720	2.6
311.08997	0.7
320.09180	100.0
321.09964	2.2
322.10541	0.7
336.12390	3.4
381.58310	0.6
419.16586	0.7
437.17831	1.2
514.44507	0.8
553.23340	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.4
64.73469	0.3
67.04451	0.2
73.61578	0.3
123.77268	0.3
127.00800	0.3
159.02710	0.3
164.07033	1.5
176.07030	3.5
268.74683	0.3
292.09778	2.6
320.09183	100.0
322.10248	0.3
336.12201	0.3
340.90582	0.3
553.23328	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81953	0.4
58.06606	5.2
66.79591	0.5
69.07063	0.6
70.06611	2.6
91.05470	0.6
103.90313	0.5
117.03414	1.0
117.43599	0.6
121.06505	2.2
127.03875	0.6
129.16780	0.6
137.06035	0.5
137.59720	0.6
145.02823	7.7
147.04485	1.2
149.05986	0.7
155.15776	0.5
164.07040	0.7
167.07031	0.7
176.07109	3.0
177.05467	11.3
292.09720	2.6
311.08997	0.7
320.09180	100.0
321.09964	2.2
322.10541	0.7
336.12390	3.4
381.58310	0.6
419.16586	0.7
437.17831	1.2
514.44507	0.8
553.23340	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2448
Annotation	(-)-CP 263,114
Peak:m/z	Relative Intensity
51.97409	1.1
55.05512	2.7
58.84220	1.4
67.05517	6.1
69.07066	2.8
79.05502	3.6
81.07059	11.5
83.08626	3.4
93.07043	7.2
95.08621	8.5
97.06554	1.6
97.10191	1.9
105.07058	2.2
107.08598	3.1
109.10154	6.2
119.08611	6.1
121.10128	2.8
126.38872	1.5
129.07001	2.2
131.08577	6.3
133.10141	3.4
135.11703	3.9
143.08548	6.7
145.10153	2.7
157.10109	2.2
159.11656	3.8
166.21475	1.5
169.10216	1.9
171.11732	3.8
173.13220	2.2
183.11746	2.6
199.14867	2.0
208.59059	1.6
291.38379	1.7
355.26175	1.9
393.20694	5.8
398.79404	1.8
406.92087	2.0
423.18228	2.2
437.19604	16.6
441.56403	2.1
451.21588	2.6
463.24911	13.5
465.18793	2.2
481.25845	13.1
489.22693	6.1
491.24850	2.0
496.21109	3.4
507.23743	5.9
517.22540	2.5
525.25037	48.8
535.23700	2.8
553.24475	100.0
553.42810	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02753	2.6
55.05510	12.3
57.03444	5.3
57.07075	4.8
64.70130	2.7
66.58945	3.0
67.05507	19.6
69.07056	28.9
69.70309	3.5
70.97497	3.3
79.05497	5.4
79.08310	3.6
79.11011	3.2
80.02628	3.4
81.03429	5.6
81.07060	38.0
83.08629	24.8
85.06528	3.2
91.88235	3.1
93.07034	13.6
93.81207	3.6
95.08598	27.5
97.06564	3.1
97.10168	14.2
98.98470	72.6
99.04465	6.1
107.08601	6.1
109.02877	5.0
109.10123	7.0
121.10155	14.3
123.11684	3.6
135.11710	7.2
155.01053	100.0
162.71013	3.4
167.80080	3.1
219.21144	4.7
237.22079	8.1
311.25714	78.2
317.06357	15.6
320.09406	4.7
391.22217	5.2
535.26465	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.4
63.77909	3.3
67.05508	36.2
67.52068	3.2
69.07059	21.3
71.08583	5.1
74.00651	3.7
76.02232	9.5
76.04005	4.8
77.66221	3.7
79.05502	9.8
81.07066	54.9
83.08629	6.3
91.05461	6.5
93.07046	32.0
95.04960	5.1
95.08607	45.6
95.97464	4.6
98.06022	3.7
99.05582	53.2
104.60997	4.6
105.07041	16.8
107.08591	18.2
109.10159	22.7
115.14407	3.8
117.06992	4.5
119.08582	8.7
121.10123	19.3
123.11711	4.9
123.83004	4.0
127.05078	6.2
130.05023	17.0
131.08595	9.5
133.10175	9.8
135.11671	6.4
142.47969	3.8
145.06076	27.8
145.10159	5.6
147.11668	5.6
149.13275	4.1
159.11707	6.9
159.53970	4.3
171.11548	4.8
173.13232	6.7
223.60463	5.1
226.53523	4.5
261.22153	4.7
277.78049	3.9
302.24640	34.5
330.24274	100.0
334.22089	6.8
362.21350	16.1
405.27325	31.9
408.07489	4.2
547.37671	5.1
553.27252	47.8
553.35626	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
52.66495	0.5
54.05125	0.5
64.38576	0.6
66.07862	0.7
79.05487	0.6
93.07110	1.0
96.26814	0.6
112.93869	0.6
121.06537	1.1
124.95334	0.6
155.80357	0.6
181.98949	0.6
185.04184	1.5
190.18599	0.7
191.63234	0.6
201.03683	1.1
201.67470	0.6
206.23712	0.7
218.54482	0.6
259.07983	1.1
275.07516	0.8
292.92230	0.7
331.10010	6.8
336.12418	2.5
337.12579	0.8
345.11389	0.8
359.12854	1.1
371.77646	0.8
373.14456	0.7
391.24127	0.8
443.18832	1.0
480.78046	0.6
553.29810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55493	0.9
57.98591	0.8
65.54684	0.8
67.05487	1.6
69.33278	0.7
70.07457	0.7
72.68012	0.7
72.81499	0.9
78.76466	0.8
85.47887	0.8
91.05491	1.4
93.07014	2.1
104.05816	0.8
107.08635	1.3
121.06514	10.0
122.06818	3.6
136.59599	0.8
159.75218	0.9
192.29077	0.9
200.45706	0.9
201.03683	1.2
252.24625	0.8
264.69391	0.9
320.09238	1.3
331.09662	1.4
336.12210	3.5
376.18478	0.9
391.28397	1.6
433.29263	1.1
532.19550	1.3
553.29358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60957	0.8
53.99373	0.6
58.06606	0.7
66.92544	0.8
67.05509	0.9
79.05517	1.0
81.07018	1.1
83.08620	1.1
99.04525	0.9
113.56682	0.8
121.06485	1.4
121.10116	1.1
152.98759	1.0
170.37210	0.8
175.11575	0.9
182.91560	0.8
184.40642	0.9
192.20978	0.9
203.05304	1.9
293.09897	1.2
308.89038	0.9
321.09933	3.8
322.10559	1.0
334.10794	1.0
336.12192	6.1
337.12881	4.6
391.24469	1.2
553.29877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03716	1.0
152.94051	1.1
184.07353	1.4
185.04285	2.3
253.17804	1.1
306.45609	1.2
310.03766	1.0
320.09271	1.2
329.60098	1.0
331.09906	7.6
336.12796	1.2
386.10159	1.1
456.51801	1.0
502.24417	1.3
553.29828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	21.8
57.03458	1.9
57.07087	24.3
59.06110	2.0
67.05515	13.5
69.07066	11.9
71.08640	24.2
75.31964	1.7
79.05499	15.6
81.07068	24.6
83.08639	19.9
85.10172	13.6
86.06572	1.6
95.08598	29.0
97.10177	27.2
98.98459	16.5
105.07064	2.2
107.08604	11.0
109.10168	10.6
113.05457	1.8
117.90291	2.1
123.11716	2.4
125.09627	11.6
147.50385	1.9
155.01059	24.8
199.13234	3.0
222.72882	2.0
276.22845	2.0
313.27283	10.6
366.24203	2.2
393.23953	9.8
455.37354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83945	0.9
55.01861	1.3
55.05519	22.9
57.03438	1.3
57.07085	28.4
67.05515	13.5
69.03439	1.9
69.07075	10.5
71.08633	24.0
79.05503	11.6
81.07062	18.8
83.08186	1.7
83.08624	21.1
85.10201	13.6
91.05467	1.2
93.50227	1.0
95.08611	19.5
97.10165	26.0
98.98469	20.0
107.08589	11.9
109.10165	13.1
119.08594	1.0
123.11715	5.3
125.09634	13.2
128.86508	1.1
141.20453	0.9
155.01054	25.1
173.02092	1.7
199.13278	1.3
217.14406	2.6
239.23738	2.1
242.11464	1.2
277.21518	1.0
283.05954	16.1
294.24399	1.2
297.10916	2.1
313.27393	12.3
393.24139	12.2
448.00974	1.4
455.37320	100.0
516.91162	1.1
534.92065	1.2
564.94391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91050	1.2
52.55056	1.2
55.05524	1.6
57.39459	1.3
63.15569	1.3
68.97626	1.6
69.07076	2.2
70.06595	43.9
70.90810	1.5
72.08161	13.6
77.28699	1.5
81.48273	1.7
86.09183	2.3
86.09705	55.3
109.10181	1.8
115.08674	14.4
118.20597	1.5
127.08674	2.8
128.51450	1.6
142.15910	22.0
154.09746	4.1
155.08148	13.1
169.13405	8.8
172.10826	3.6
183.14880	2.6
184.07336	2.3
185.16518	2.9
187.71199	1.6
199.18021	13.1
227.17592	2.9
254.15128	2.7
255.24406	3.8
271.17758	3.0
277.57953	2.0
306.21832	3.3
323.24564	7.0
324.22885	8.9
341.25571	6.4
553.40759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19666	6.6
55.05519	9.0
58.48252	7.1
62.83273	6.7
67.05511	34.5
69.07085	10.7
71.55537	7.5
79.05489	11.7
80.18797	6.9
81.07062	43.7
86.91756	6.7
91.05456	25.1
93.07045	33.8
95.04985	8.1
95.08604	39.7
102.84493	6.9
105.07032	31.3
107.08583	16.0
109.10151	8.7
111.30443	7.9
117.07030	9.0
119.08574	30.2
121.10172	7.5
129.07016	7.3
129.47310	7.8
131.08543	16.2
133.10100	16.1
143.08574	9.8
145.10152	15.9
147.11702	11.3
157.10136	14.4
184.36194	8.0
185.13245	10.4
270.19070	8.0
275.20090	14.6
409.85565	8.8
416.27420	8.8
518.75562	8.1
553.42780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59422	0.8
60.11844	1.1
65.90699	0.8
66.67572	0.9
75.57378	0.9
94.37979	1.2
104.10757	1.0
122.31354	1.0
125.93710	1.0
174.17410	1.0
277.46118	1.0
293.34653	1.0
319.08353	1.4
320.09207	1.9
334.10825	5.4
336.12640	1.2
401.05756	1.4
414.83395	1.2
418.10889	1.7
440.11530	2.2
442.73212	1.3
450.09805	2.2
452.11282	6.4
466.13113	4.1
468.11053	2.5
476.11414	1.4
478.09146	2.3
480.11005	1.8
491.09906	1.6
492.06711	1.4
496.10336	4.7
506.08658	4.5
507.09415	1.8
510.11880	1.5
522.11865	22.9
524.09521	11.3
538.11334	5.0
539.11639	2.4
554.14447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95450	0.2
58.28350	0.2
67.21303	0.3
74.88235	0.2
76.88074	0.2
83.81293	0.3
105.02024	0.3
137.05978	0.4
151.03915	1.4
152.04176	0.4
152.37540	0.3
290.08060	0.4
292.09674	3.6
318.07608	0.4
320.09177	100.0
334.10550	0.6
336.12289	1.2
338.13910	0.6
371.67419	0.3
470.41248	0.3
536.23230	0.4
541.17194	0.3
554.17413	1.3
554.25024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95450	0.2
58.28350	0.2
67.21303	0.3
74.88235	0.2
76.88074	0.2
83.81293	0.3
105.02024	0.3
137.05978	0.4
151.03915	1.4
152.04176	0.4
152.37540	0.3
290.08060	0.4
292.09674	3.6
318.07608	0.4
320.09177	100.0
334.10550	0.6
336.12289	1.2
338.13910	0.6
371.67419	0.3
470.41248	0.3
536.23230	0.4
541.17194	0.3
554.17413	1.3
554.25024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98890	1.9
55.05495	2.0
55.08722	2.1
73.84265	2.0
83.08613	4.8
118.89552	2.0
149.06009	3.8
154.18680	2.3
213.73936	2.5
249.83958	2.1
292.09711	2.5
320.09180	2.9
321.09943	9.1
322.07153	4.4
322.10730	3.8
323.11624	4.7
336.12350	25.2
337.09375	20.2
337.13007	11.9
338.13708	14.3
352.11716	9.2
352.15396	14.3
362.09882	2.6
391.10480	8.2
404.11249	45.2
416.11304	11.4
417.11841	17.9
418.09070	13.4
456.14188	3.2
472.17706	14.9
500.16946	15.8
518.18115	38.3
536.19214	100.0
554.19940	15.4
554.27710	17.8
565.66992	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31870	0.4
58.06610	39.0
90.52956	0.6
96.57074	0.6
121.06615	0.5
122.09763	0.6
151.07614	0.9
154.39882	0.7
164.61908	0.6
174.05574	1.1
175.07640	1.1
178.08650	0.7
179.06406	0.7
190.08670	1.1
206.08142	1.1
235.07645	2.8
238.06441	1.2
252.07831	2.2
253.08792	0.9
263.07040	5.7
264.07843	1.2
265.08743	2.3
267.10269	1.5
276.22931	0.6
280.07193	0.9
281.08081	65.9
283.09805	3.1
295.09799	3.6
296.10431	83.7
298.12024	0.6
319.08499	0.8
320.09348	2.7
321.09741	3.5
334.10938	1.3
401.09912	0.7
435.35181	0.6
449.15903	2.2
477.15366	6.1
509.18689	2.9
550.00836	0.8
554.24060	100.0
554.69104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	7.8
65.41309	1.5
69.03409	3.2
69.07056	4.2
70.06606	1.6
70.91647	1.4
71.05012	1.9
81.03005	1.5
81.07060	7.8
83.08626	3.7
85.02902	20.5
85.35300	1.5
93.07034	4.1
95.04922	2.1
95.08598	18.7
97.02874	3.3
97.10159	2.5
99.04466	2.9
99.08097	11.5
101.04942	1.7
107.08590	23.0
109.02895	3.0
109.10137	4.2
111.08102	5.8
121.06503	3.0
121.10127	41.7
125.09627	2.1
127.03902	3.4
135.11702	9.9
137.13243	3.8
145.04990	3.2
148.61623	1.7
149.13313	2.1
150.09143	1.9
164.07024	2.5
171.06535	2.6
177.05460	3.8
177.16371	100.0
195.17441	15.3
213.18489	40.0
213.20319	3.2
229.26480	1.9
235.07503	9.8
246.77747	1.6
265.08624	15.5
267.09985	3.0
283.09711	3.1
296.10541	1.9
320.09146	60.1
321.09445	60.6
325.11197	1.9
374.06558	2.2
375.23376	2.4
390.15405	13.1
446.03232	1.8
554.23853	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70213	4.5
57.07087	8.4
61.56790	5.1
67.22656	7.1
69.07068	32.9
79.05500	6.8
81.07069	98.6
93.07049	8.0
95.08604	37.7
97.10204	5.5
102.35609	5.4
107.08529	5.6
109.10158	9.3
137.13246	13.5
161.05972	24.9
172.52026	6.2
187.07535	32.0
201.08881	7.2
209.09558	7.2
229.04793	7.8
231.06525	52.0
233.08020	12.3
241.12024	7.0
243.06488	11.0
247.09645	14.9
255.06569	11.1
257.07983	47.3
259.09692	11.8
269.08020	10.0
271.09677	74.3
273.11087	7.2
283.09683	30.8
283.13156	7.8
285.11160	51.9
291.08557	11.7
297.11096	31.2
299.12759	33.5
311.12741	43.4
316.11771	9.2
325.14313	24.9
331.11691	29.7
339.15796	29.6
339.19547	9.5
355.19049	27.5
357.13324	38.6
367.19049	100.0
413.19739	63.1
455.24020	10.6
491.31622	12.0
532.58374	6.7
554.34692	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82758	2.9
55.05513	3.5
59.03807	2.6
67.05530	11.2
69.07066	7.0
72.97769	2.6
79.05502	5.9
81.03432	4.6
81.07037	12.4
84.08056	2.9
85.02889	4.2
86.09703	36.6
88.03988	13.7
93.07053	14.1
95.04962	4.0
95.08616	7.0
97.02875	19.5
98.09683	5.2
105.06976	4.0
107.08595	4.0
109.10139	12.1
110.06054	4.4
111.04431	4.8
112.03955	3.9
116.10727	3.3
119.08589	6.0
120.04465	13.2
121.10115	7.2
125.04730	80.3
125.27211	2.8
126.05592	3.9
126.21068	3.0
127.03902	4.8
128.10710	4.2
132.10258	3.4
133.10051	4.6
138.05484	24.5
140.10709	5.7
143.05756	5.8
184.05986	4.8
194.11790	46.8
212.12933	24.4
212.14703	3.7
230.13747	24.3
235.10550	3.3
240.12309	21.5
258.13321	19.9
277.21713	6.4
490.35449	7.3
518.34772	72.0
536.35840	100.0
554.37830	21.5
578.56842	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.8
56.64139	2.0
59.03233	2.2
59.58084	1.7
63.34088	1.8
68.82890	2.4
69.03427	8.5
69.74928	2.2
70.02949	2.7
73.04045	1.9
75.00862	1.8
79.05489	2.9
81.03433	31.6
83.04952	3.5
85.02895	10.6
85.04005	2.4
87.05595	52.0
88.04015	2.7
91.05456	3.8
95.00658	2.3
96.04493	3.3
97.02878	14.0
98.06026	2.3
99.04456	72.9
101.16650	2.0
106.06522	5.0
107.04974	3.1
108.04482	13.3
109.02847	17.7
109.06503	2.8
110.06046	3.5
111.04424	2.1
122.06026	5.2
126.05490	8.1
127.03895	14.6
133.06100	9.4
134.06027	70.5
136.03900	5.2
136.07570	14.5
138.05490	8.3
144.06555	3.9
145.05031	2.6
149.07065	3.1
149.30396	2.2
150.05507	19.5
152.03453	4.6
152.06944	3.0
162.05492	12.7
162.07610	2.7
165.06584	10.4
165.73228	1.9
166.05037	11.3
167.08130	5.1
177.06586	51.6
178.04968	28.0
179.08167	31.4
180.06741	2.2
194.04475	49.3
195.07599	9.7
196.06107	2.4
197.09323	2.8
206.04463	10.3
211.07127	80.2
223.07179	3.4
224.05501	13.2
241.08212	41.1
259.09128	24.9
260.96912	2.3
277.10184	10.3
339.11942	2.8
355.70212	2.6
357.12900	12.5
369.11771	3.6
393.14709	4.2
471.15985	4.1
483.15869	3.4
501.10190	4.1
501.17148	100.0
519.18372	28.9
537.19385	38.8
555.20306	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13999	0.5
53.03940	0.6
55.75707	0.5
69.03409	0.9
77.44308	0.5
81.03422	2.3
83.04976	2.1
85.02934	0.7
89.03932	1.1
92.21486	1.1
97.02860	0.7
98.42052	0.6
99.04455	15.4
117.03346	4.2
120.45193	0.5
126.13308	0.6
127.03893	0.6
145.01706	1.4
145.02849	36.7
149.05962	1.1
177.05460	100.0
182.46059	0.6
188.49202	0.5
285.07629	0.8
295.11694	1.1
303.08682	0.6
321.09714	2.6
350.05154	0.6
390.01422	0.6
419.13226	0.6
437.14377	0.9
456.13068	0.6
461.10440	0.6
490.05209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70417	0.4
60.55757	0.4
61.38646	0.4
76.03880	0.4
76.78189	0.5
98.88682	0.4
115.46593	0.4
118.06514	3.4
124.45783	0.5
132.08122	2.3
137.84732	0.4
140.16655	0.5
144.08084	6.4
146.06009	39.4
159.09143	4.8
170.06029	2.1
179.76576	0.5
188.07060	100.0
205.09718	36.3
283.82123	0.5
555.21509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2228
Annotation	Physalin V
Peak:m/z	Relative Intensity
55.96026	2.2
58.65924	2.0
65.16530	2.0
67.05482	2.5
71.01348	2.6
75.18833	2.4
91.05552	2.5
95.04966	13.9
99.28149	2.0
107.04953	11.8
121.06510	5.6
123.04411	5.0
125.06007	3.0
133.02849	3.7
135.04469	4.1
137.05978	34.9
147.04414	3.1
149.06003	4.4
151.03899	72.8
151.05060	3.8
151.07570	11.8
153.05415	3.3
157.04712	2.6
161.05968	24.7
161.09572	3.5
163.03879	5.1
165.05484	11.3
167.07072	5.6
175.07588	4.6
177.05544	3.5
178.06264	11.1
179.07013	3.7
181.08737	2.4
181.85072	2.7
189.09108	13.3
191.07076	3.4
195.06512	10.0
208.29803	2.8
211.07576	3.0
219.08063	4.9
220.08823	2.8
221.05968	2.5
223.07626	4.4
223.11400	3.5
225.09038	2.6
227.10498	2.5
235.07487	2.8
236.08289	2.7
243.10228	4.2
248.08382	4.8
251.06990	4.4
251.10730	4.6
252.86377	3.0
253.08591	22.6
255.10136	3.8
265.08600	5.6
266.09323	2.6
267.10059	3.2
279.10123	15.0
283.09772	19.7
283.12888	3.1
297.11221	37.1
309.11096	3.3
311.12643	10.4
319.12030	2.8
320.09213	9.8
321.09653	3.0
327.12262	15.0
329.13806	100.0
330.14658	11.5
334.10547	5.7
336.12177	5.3
337.12463	5.7
341.13840	3.0
342.14578	10.9
360.15573	3.1
507.19812	3.6
525.21008	14.9
555.20807	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2598
Annotation	Taxuspine Y
Peak:m/z	Relative Intensity
50.03285	1.7
62.78822	2.0
63.76279	2.0
63.76637	2.2
81.07064	5.3
85.85014	2.3
95.08627	3.6
105.07026	2.8
112.27899	2.3
115.59927	2.6
121.10142	2.8
125.60374	2.6
125.85700	2.6
131.08571	2.7
181.33020	2.4
220.36034	2.6
247.92195	2.3
343.61551	2.9
351.31314	2.6
388.79770	2.9
421.23676	3.3
449.19571	13.9
463.21387	31.0
465.22781	4.3
475.21091	52.9
501.22760	2.6
508.21027	3.0
519.23950	45.7
537.24951	100.0
555.25970	88.3
555.38812	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.03435	4.6
57.07080	29.0
58.04320	0.7
67.05522	9.2
69.07072	5.5
71.08633	25.6
81.03416	6.9
81.07062	14.8
83.08624	8.6
85.02903	0.8
85.10178	14.8
95.08605	20.4
97.10167	4.9
98.98465	60.1
99.04423	1.5
109.02825	4.7
109.10154	10.2
116.99561	1.0
117.34692	0.7
123.11693	3.4
155.01033	100.0
159.72079	0.7
239.23631	5.9
313.27338	55.5
317.06354	8.6
388.16544	0.7
393.23923	13.7
401.28802	6.2
537.28174	12.8
555.28961	3.0
565.81567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14263	1.0
54.11199	1.0
55.05508	4.5
57.03434	6.0
57.07080	32.1
59.24605	1.2
67.05516	11.2
69.07067	7.4
71.04976	0.9
71.08633	25.6
71.66679	1.2
81.03417	5.5
81.07068	15.3
83.08630	8.5
84.39594	1.4
85.10175	16.4
93.07038	1.6
95.08598	21.6
96.08978	1.2
96.10735	1.2
96.27446	1.1
96.74876	1.4
97.10171	2.6
98.83273	1.2
98.98467	65.7
105.07074	1.3
109.02879	3.0
109.10154	10.7
119.08621	1.4
121.10181	1.3
123.11720	1.9
131.08612	1.3
134.05978	2.5
135.50471	1.2
137.13306	1.3
145.10152	1.6
155.01039	100.0
181.17000	1.3
191.38303	1.3
199.75110	1.2
200.15176	1.4
221.15381	1.3
239.23618	4.9
313.27362	72.5
317.06277	8.0
329.49808	1.3
338.44653	1.3
341.24530	1.2
393.24005	14.9
401.28937	7.2
432.38531	1.3
537.28131	13.8
555.28656	2.7
555.43286	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47396	0.8
55.05506	4.0
57.03442	5.6
57.06826	1.7
57.07085	33.9
64.82556	0.8
65.50797	0.9
67.05508	9.1
67.85268	0.9
69.07063	5.7
71.08635	28.4
81.03429	6.9
81.07056	12.6
83.08619	10.8
85.10195	15.2
95.08603	23.2
97.10150	3.9
98.98471	72.3
99.04482	1.3
109.02895	4.3
109.10157	9.7
116.99522	0.9
123.11703	3.5
127.03989	1.2
137.13225	1.1
141.97026	1.0
155.01041	100.0
236.53394	1.0
239.23720	6.1
313.27365	67.0
317.06339	9.1
393.24011	13.8
401.29037	8.4
537.28235	19.7
555.29248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41337	1.1
84.29292	1.3
89.44608	1.4
93.84615	1.3
95.01473	1.2
101.01031	1.4
127.95368	1.3
161.50899	1.5
208.09164	1.4
555.10541	2.2
555.31372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55453	0.5
59.08157	0.4
76.62113	0.6
81.01279	0.5
85.20284	0.5
91.39915	0.5
92.66151	0.5
105.44780	0.6
113.27863	0.6
141.62709	0.5
171.48936	0.6
172.45305	0.5
174.78740	0.6
345.38321	0.6
393.26508	1.0
399.82922	0.6
417.85446	0.7
506.78436	0.6
537.29901	2.0
543.24225	0.7
555.31372	100.0
561.95270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42266	1.6
51.71365	1.5
54.43887	1.6
55.01871	4.4
55.05507	7.8
57.07076	12.2
60.04518	2.5
67.05511	30.1
69.07076	19.8
71.04997	2.2
71.08616	2.8
77.89124	1.6
79.05500	7.7
81.07056	40.4
83.04978	8.5
83.08630	9.9
85.06549	12.1
91.05457	3.2
93.07048	17.3
95.08598	42.3
97.06526	24.0
97.10182	2.9
99.08082	3.6
102.94274	1.7
105.07040	2.7
107.08599	14.6
109.10154	22.3
111.08065	3.7
119.08585	2.7
121.10136	15.0
123.11707	8.6
125.09563	2.3
131.08583	2.2
133.10185	7.0
135.11702	29.8
137.13268	2.1
139.11034	1.8
141.09105	11.5
147.11673	3.9
149.09630	2.7
149.13226	8.6
153.12772	11.9
157.65929	2.1
158.64873	1.8
163.11171	3.0
215.17972	2.6
217.14473	3.0
233.19052	4.1
251.20044	100.0
269.21060	33.9
501.38995	3.1
519.40509	8.8
537.50226	3.2
555.46893	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
57.43843	3.2
66.16545	2.9
67.05503	16.9
69.07067	7.5
79.05490	6.0
80.56177	3.0
81.07064	24.0
83.08639	4.3
84.75581	3.7
85.55077	3.1
91.05499	6.3
93.07028	19.7
95.08610	18.6
105.07014	6.2
107.08585	14.5
107.94276	3.7
109.10159	8.0
118.08660	3.3
119.08617	8.1
121.10108	6.2
131.08603	7.0
133.10127	7.6
135.11775	4.2
143.08536	4.7
145.10226	4.7
147.11661	5.3
159.11694	5.1
171.11707	4.1
173.13266	4.9
187.14815	4.6
214.80397	4.0
318.66214	3.4
341.56656	4.0
347.30664	4.4
496.06403	3.6
496.78604	4.0
504.23126	3.9
511.03482	3.9
519.42596	4.3
537.42902	6.8
555.44220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05239	1.1
55.05524	6.1
57.07088	2.6
67.05515	17.2
69.07075	9.7
71.08627	1.8
79.05499	8.7
81.03447	2.0
81.07063	22.9
83.04968	1.4
83.08630	9.7
85.02969	1.5
85.06580	1.3
87.24515	1.6
87.58778	1.4
88.92636	1.4
91.05476	6.3
92.21655	1.7
93.07043	14.0
95.08607	23.4
97.10154	6.3
98.98470	1.8
99.04462	9.0
105.07045	8.1
107.08596	13.6
109.10162	13.3
117.07043	3.3
119.08604	11.4
121.10142	9.8
123.11697	2.4
125.09669	1.4
125.67366	1.4
129.07060	2.0
131.08569	19.2
133.10126	10.2
135.08006	2.3
135.11685	5.0
143.08533	3.1
145.10106	15.1
147.11610	4.4
149.13266	2.4
155.01053	1.9
155.08589	2.1
157.10133	7.2
159.11716	8.4
161.13295	2.7
169.10165	2.2
171.11711	3.5
173.13313	9.7
183.11803	2.2
185.13280	3.3
187.14890	3.2
199.14844	2.7
201.16479	2.3
213.16483	1.7
215.17963	2.1
223.14752	2.9
223.68930	1.4
225.16374	2.5
225.37999	1.5
229.19516	2.4
243.08676	1.8
277.21582	3.0
313.27368	2.0
315.23270	1.6
519.42023	3.0
537.42792	5.8
555.44073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38540	0.1
58.56039	0.1
70.88919	0.1
96.59521	0.2
105.25604	0.2
204.07939	0.2
225.20123	0.2
227.54608	0.2
260.79373	0.1
280.09607	0.3
308.09152	100.0
490.56625	0.2
512.15747	1.0
556.14484	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68149	0.4
63.86281	0.4
71.54234	0.4
82.47505	0.4
86.57639	0.5
88.07494	0.4
114.93161	0.5
137.06035	1.8
141.33572	0.4
165.05453	1.7
177.05464	0.6
190.04979	11.8
190.06656	0.6
204.02541	0.5
218.04398	0.8
222.18794	0.5
263.05777	2.5
264.06549	0.6
274.04926	0.5
276.06558	0.7
290.08212	1.8
292.06149	4.3
293.06900	1.8
303.05264	2.3
306.07602	0.9
308.09302	0.7
318.04166	0.7
318.07523	4.8
319.08337	1.0
320.05521	6.4
320.09149	3.5
321.06281	1.7
331.04767	2.1
334.10672	2.2
336.08832	0.7
336.12326	0.7
346.07047	5.4
348.05222	2.0
349.05856	9.3
364.08133	100.0
382.08813	0.6
439.21933	0.5
556.14319	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38540	0.1
58.56039	0.1
70.88919	0.1
96.59521	0.2
105.25604	0.2
204.07939	0.2
225.20123	0.2
227.54608	0.2
260.79373	0.1
280.09607	0.3
308.09152	100.0
490.56625	0.2
512.15747	1.0
556.14484	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21247	0.4
55.90078	0.4
69.03391	0.7
70.73515	0.4
74.52970	0.4
78.81922	0.4
84.20671	0.5
85.02865	2.4
92.21526	0.7
93.76614	0.5
97.02887	0.6
137.10144	0.5
145.02849	0.5
177.05409	0.5
190.07452	0.5
217.76924	0.5
219.30383	0.5
232.92267	0.6
248.77422	0.5
292.09720	0.6
308.09256	0.9
319.08444	5.7
320.09152	31.9
334.10715	100.0
335.11136	0.6
394.12759	11.8
496.16031	2.3
556.18170	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29233	1.1
74.48722	1.0
80.43296	0.8
88.13450	0.9
104.81866	1.1
151.32127	1.1
154.12270	1.6
158.29474	1.0
161.36874	1.0
180.62347	0.9
209.34521	1.0
319.08377	1.7
320.09308	11.3
334.10849	2.3
339.39084	1.4
341.10361	1.5
342.11221	2.5
343.11951	4.8
370.10776	2.2
371.11487	61.6
372.12427	6.7
385.13245	1.7
399.11011	8.0
400.11749	49.2
409.28308	1.1
413.12521	1.7
517.90033	1.3
528.20190	7.0
556.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.4
71.47730	0.5
87.96926	0.4
90.77065	0.4
91.62197	0.4
158.31169	0.5
158.61330	0.5
276.14047	0.5
290.08087	11.0
294.11185	0.5
302.08081	2.9
304.06033	9.8
306.07431	1.4
308.09189	1.1
313.80652	0.5
318.07611	13.7
319.08380	47.0
320.09061	5.5
321.09839	1.8
324.10858	0.5
334.10715	100.0
335.11151	1.7
336.12155	2.2
337.12396	0.8
338.13809	0.6
541.05365	0.5
556.20270	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92240	0.4
53.03953	2.8
61.02955	0.5
69.03426	3.9
70.06602	0.6
71.04995	3.3
81.03416	7.1
85.02904	16.8
97.02891	6.0
99.04455	100.0
109.02885	2.4
117.05489	52.8
117.81956	0.5
127.03918	7.6
136.96472	0.6
137.53336	0.5
137.56052	0.7
145.04971	6.4
200.64214	0.7
215.09126	0.6
234.22606	0.7
243.08540	3.7
261.09729	7.1
279.10706	5.9
359.13419	6.7
377.14413	24.5
556.14307	1.4
556.23419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38444	0.8
65.21485	0.9
69.35968	0.9
74.08987	0.9
75.73399	0.9
80.27067	1.1
80.61788	0.9
88.49622	1.1
101.65520	1.0
107.52129	1.1
110.69881	1.0
124.80431	1.0
155.92262	1.1
174.05528	1.2
176.07083	1.4
253.17216	1.0
290.08005	8.6
292.09924	1.1
302.08224	2.1
304.06152	5.1
318.07657	10.0
319.08411	27.0
320.05487	1.8
320.09177	33.9
320.12692	1.3
334.10733	61.9
335.11517	1.7
336.12430	4.9
450.17691	1.1
480.91061	1.1
498.23129	1.2
510.19232	1.6
522.19318	1.2
526.22430	5.4
538.23511	1.5
556.23480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77953	1.1
63.95367	1.2
64.85818	1.2
69.03458	1.4
77.10348	1.4
80.98455	1.3
83.65302	1.3
85.02905	10.4
97.02896	2.1
103.05451	1.7
131.04941	7.2
137.05978	100.0
148.99309	1.4
151.07578	1.9
157.06482	7.0
175.07561	21.7
187.07544	37.4
189.09113	24.9
217.08600	19.6
219.10191	10.4
235.09676	8.7
251.10733	1.9
259.07712	2.0
261.08771	1.7
263.10706	6.2
270.08820	2.3
271.09769	1.6
279.10165	7.7
290.00726	1.4
291.10159	17.9
296.10199	2.2
308.09985	3.0
311.12762	7.4
323.12708	18.1
341.13806	44.0
359.14966	2.8
472.20453	1.7
474.56454	1.5
511.23572	1.5
556.15210	7.7
556.25317	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54263	0.9
55.01863	1.1
55.59198	0.8
58.03712	0.8
65.29139	1.0
65.34776	1.0
68.54885	0.9
70.06577	2.3
70.55764	0.7
85.02900	1.7
97.02862	0.9
99.04444	1.9
103.05469	1.8
109.06493	1.5
118.12943	0.9
122.03631	1.3
125.05952	3.6
129.06990	9.7
131.04904	13.4
137.05969	100.0
143.04907	1.6
153.05464	6.9
157.06493	22.5
160.05142	1.9
161.05945	4.3
163.07484	12.0
174.06772	5.9
175.07527	38.2
177.09186	1.3
187.07542	35.9
189.09084	34.2
193.04979	1.0
205.08569	4.5
207.10118	1.6
208.23373	1.1
217.08556	11.4
218.24332	1.0
219.08099	1.4
219.10141	1.2
221.56377	1.0
225.98888	1.0
231.08098	2.2
236.17612	1.0
239.07040	1.7
247.07460	2.4
251.10631	4.5
259.07614	1.9
261.09180	1.1
263.10614	4.6
270.08865	4.0
279.10141	9.9
283.09619	2.1
285.10971	1.3
291.10217	12.2
296.10184	3.2
296.28650	1.0
311.12674	18.5
323.12720	13.3
329.13684	8.5
341.13806	43.3
359.15018	6.8
556.21436	1.3
563.63214	1.1
572.82007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77953	1.1
63.95367	1.2
64.85818	1.2
69.03458	1.4
77.10348	1.4
80.98455	1.3
83.65302	1.3
85.02905	10.4
97.02896	2.1
103.05451	1.7
131.04941	7.2
137.05978	100.0
148.99309	1.4
151.07578	1.9
157.06482	7.0
175.07561	21.7
187.07544	37.4
189.09113	24.9
217.08600	19.6
219.10191	10.4
235.09676	8.7
251.10733	1.9
259.07712	2.0
261.08771	1.7
263.10706	6.2
270.08820	2.3
271.09769	1.6
279.10165	7.7
290.00726	1.4
291.10159	17.9
296.10199	2.2
308.09985	3.0
311.12762	7.4
323.12708	18.1
341.13806	44.0
359.14966	2.8
472.20453	1.7
474.56454	1.5
511.23572	1.5
556.15210	7.7
556.25317	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42059	0.9
67.37426	1.0
69.03400	1.2
70.00334	0.9
81.64140	1.0
83.19994	0.9
85.02902	7.1
91.05495	6.3
98.09607	1.1
103.05497	8.7
105.03404	4.2
105.07026	7.5
107.92876	1.0
109.06518	5.3
119.04945	19.0
121.06470	1.1
122.03641	1.2
125.06064	1.1
129.07018	8.5
131.04929	57.7
131.71858	1.2
133.02823	2.0
133.06451	7.4
137.05975	100.0
143.04935	1.4
147.04393	7.2
149.06001	3.8
151.07570	12.4
151.93187	1.1
153.05449	4.2
156.44186	1.1
157.06480	16.6
161.05965	27.1
162.06749	4.1
163.07555	28.9
174.06760	5.0
175.07544	30.3
179.07008	6.0
187.07533	28.8
189.09106	23.8
193.08632	2.4
205.08521	8.8
207.10019	1.1
217.08592	8.9
219.08022	1.8
231.08105	2.3
235.09637	7.2
247.07422	2.1
251.10648	4.3
259.07550	2.0
263.10635	5.2
265.08533	1.4
270.08951	2.5
273.72577	1.4
279.10248	7.8
283.09528	2.0
291.10092	10.9
296.10229	1.6
304.66104	1.1
308.09213	17.6
309.11295	1.9
311.12827	16.1
323.12921	8.5
329.13809	7.7
341.13849	32.5
359.14795	7.4
442.64154	1.0
556.14410	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01879	4.3
58.71639	0.3
61.71066	0.2
64.05532	0.3
64.52116	0.2
65.13602	0.3
69.03439	2.6
71.05009	0.3
71.29872	0.3
73.02906	1.6
76.75994	0.2
78.00533	0.2
81.03423	4.4
85.02911	3.1
96.26381	0.3
97.02892	4.2
99.03811	0.6
99.04453	13.1
109.02194	0.6
109.02882	10.4
114.06398	0.3
116.38940	0.3
117.03368	0.6
127.03923	6.7
137.05998	0.4
139.03897	0.4
145.02843	13.4
149.05933	0.6
151.67642	0.3
162.03156	0.7
175.07549	0.5
177.05460	100.0
178.05801	1.9
181.04953	0.5
195.06503	4.8
199.06018	5.0
203.07074	1.8
217.07106	3.6
221.08044	1.5
237.07684	0.3
247.09647	0.4
275.09174	6.4
283.11880	0.5
293.10172	3.5
325.41913	0.3
339.10645	5.5
401.12305	0.5
419.13049	2.9
437.14432	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54263	0.9
55.01863	1.1
55.59198	0.8
58.03712	0.8
65.29139	1.0
65.34776	1.0
68.54885	0.9
70.06577	2.3
70.55764	0.7
85.02900	1.7
97.02862	0.9
99.04444	1.9
103.05469	1.8
109.06493	1.5
118.12943	0.9
122.03631	1.3
125.05952	3.6
129.06990	9.7
131.04904	13.4
137.05969	100.0
143.04907	1.6
153.05464	6.9
157.06493	22.5
160.05142	1.9
161.05945	4.3
163.07484	12.0
174.06772	5.9
175.07527	38.2
177.09186	1.3
187.07542	35.9
189.09084	34.2
193.04979	1.0
205.08569	4.5
207.10118	1.6
208.23373	1.1
217.08556	11.4
218.24332	1.0
219.08099	1.4
219.10141	1.2
221.56377	1.0
225.98888	1.0
231.08098	2.2
236.17612	1.0
239.07040	1.7
247.07460	2.4
251.10631	4.5
259.07614	1.9
261.09180	1.1
263.10614	4.6
270.08865	4.0
279.10141	9.9
283.09619	2.1
285.10971	1.3
291.10217	12.2
296.10184	3.2
296.28650	1.0
311.12674	18.5
323.12720	13.3
329.13684	8.5
341.13806	43.3
359.15018	6.8
556.21436	1.3
563.63214	1.1
572.82007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.54433	0.5
58.06599	0.6
59.33141	0.5
69.90823	0.7
70.06593	4.2
77.06895	0.6
83.05016	0.7
84.08157	0.8
85.02914	1.0
86.05019	0.6
86.09731	1.2
87.05604	0.6
94.04109	0.7
97.02872	0.8
98.43279	0.8
99.09231	0.7
103.05442	0.9
109.06530	0.9
111.04453	1.6
118.66189	0.6
121.34700	0.6
122.03600	1.0
124.74572	0.6
125.06021	3.2
127.08704	1.2
128.06128	0.7
129.07005	12.6
129.10228	0.8
131.04933	14.4
133.53816	0.7
137.05986	100.0
143.04930	3.5
147.08066	0.9
149.06027	1.2
151.03896	1.1
151.07619	1.5
153.05502	7.0
157.06494	25.3
157.07768	1.0
160.05182	1.5
161.05952	4.4
163.07539	12.4
174.06801	4.6
175.07547	37.8
177.09085	1.4
185.05855	0.8
187.07550	42.7
189.09111	34.9
198.16527	0.7
199.07588	1.5
205.08601	5.9
207.10164	2.7
211.98935	0.6
217.08609	12.4
219.08026	3.1
219.10011	0.8
231.08038	3.2
235.09703	2.8
239.07002	1.4
247.07573	3.8
251.10654	2.9
259.07547	2.6
261.09314	1.0
263.10663	5.5
270.08835	3.9
271.09677	3.8
276.07800	1.2
279.10095	8.5
283.09616	3.2
291.10168	11.6
296.10437	3.6
308.10480	1.6
309.11600	0.7
311.12799	16.6
323.12720	13.8
329.13828	8.3
340.39597	0.7
341.13846	53.8
359.14822	9.8
407.18719	0.7
419.31625	0.8
468.22641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27266	0.4
53.03963	5.9
55.01880	0.9
55.05519	4.0
57.03437	1.2
57.07060	0.5
64.38664	0.4
67.05505	11.3
69.03432	6.0
69.07064	5.6
71.04987	3.0
73.02918	17.7
78.51556	0.4
79.05496	11.0
81.03423	18.7
81.07058	16.7
83.04971	3.2
83.08616	3.1
85.02906	8.6
85.06583	0.7
87.04476	4.7
90.21735	0.5
91.05472	7.3
93.02054	0.5
93.07038	14.9
95.04964	2.9
95.08605	11.5
97.02890	11.7
97.06497	0.6
97.10178	1.0
98.45566	0.5
99.04455	100.0
99.08096	0.7
105.07041	7.9
107.04976	0.7
107.08595	9.6
108.04483	0.7
109.02887	3.8
109.06554	0.9
109.10143	6.8
110.66470	0.5
111.04408	3.7
116.12390	0.5
117.07007	4.3
119.08581	7.6
121.06480	0.5
121.10159	9.6
123.08051	0.9
123.11724	2.5
127.03918	10.5
129.06976	1.3
131.08566	8.0
133.06442	0.6
133.10124	6.8
135.11696	6.8
137.09601	0.7
141.05447	4.0
143.08563	3.3
145.04955	0.8
145.06506	1.1
145.10130	5.3
147.08028	0.8
147.11708	4.8
149.09619	0.6
149.13266	2.6
155.08446	0.8
157.10088	3.2
159.11641	4.9
161.13232	2.5
163.11104	0.8
163.14795	0.6
169.10072	1.1
171.06488	1.3
171.07852	0.7
171.11641	2.5
173.09657	0.8
173.13271	2.9
175.11185	0.9
175.14845	0.6
181.10077	0.6
183.11649	1.3
185.13379	1.2
187.11151	0.8
187.14720	1.0
197.09727	0.6
197.13232	0.9
199.14841	2.0
213.12981	0.5
225.07600	0.8
243.08612	14.0
243.21097	2.7
259.20676	1.1
261.22110	5.6
263.77191	0.7
303.23422	0.9
315.23032	1.2
323.23624	0.9
327.23358	0.7
341.24893	0.9
345.24469	0.8
351.23114	5.1
369.24347	10.2
387.25357	5.2
405.26440	4.9
423.27261	0.6
449.26962	0.8
467.27914	7.2
485.28992	12.5
503.29916	11.0
521.31079	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42608	1.1
53.03957	5.8
54.89500	1.2
55.05529	2.7
56.57774	1.4
57.03450	1.7
67.05507	13.1
68.97292	1.4
69.03426	6.0
69.07072	6.6
71.05005	2.7
73.02914	15.1
75.16935	1.6
79.05486	8.6
81.03425	17.6
81.07058	18.9
83.08633	1.9
84.42591	1.5
85.02894	8.0
91.05471	7.3
93.07030	18.4
94.11385	1.6
95.04975	3.4
95.08626	15.0
97.02890	9.8
99.04449	100.0
105.07031	9.2
107.08605	9.7
109.10155	7.8
111.04382	2.4
117.07024	3.0
119.08566	8.2
121.10143	11.2
127.03878	12.0
131.08551	6.6
133.10130	7.2
135.11690	8.9
138.22430	1.5
145.10136	5.8
147.07959	1.7
147.11658	7.8
149.13229	2.8
157.10095	6.2
159.11664	7.0
161.09666	1.7
161.13246	3.0
169.10204	2.0
171.08034	1.5
171.11682	3.1
173.13222	6.1
175.14726	1.9
243.08591	12.6
243.11845	1.6
261.22144	2.5
298.30768	1.6
351.23096	3.2
367.12201	1.7
369.24112	8.7
387.25302	5.9
394.39041	1.6
405.26334	3.3
467.27719	6.2
473.00894	1.7
485.29099	15.2
503.30099	12.6
521.31122	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01881	1.9
55.05519	3.6
57.99210	1.7
58.02442	1.5
63.66090	1.7
64.26836	1.8
67.05499	13.1
69.03429	9.4
69.07078	3.9
71.04994	4.0
73.02925	17.1
78.35334	1.9
79.05487	11.9
81.03417	14.6
81.07057	19.2
83.04979	2.1
85.02914	12.1
87.04498	2.2
91.05473	8.0
93.07033	17.0
95.08614	16.1
97.02871	14.7
99.04457	100.0
105.06992	14.0
107.08610	12.0
108.04491	2.6
109.02879	4.0
109.10172	4.4
111.04478	2.8
119.08549	4.1
121.10160	11.1
127.03922	11.1
131.08563	3.5
133.10150	4.8
135.11665	7.8
145.10118	9.8
147.11693	3.5
149.13255	2.5
159.11659	4.5
161.13237	3.2
173.13277	2.6
236.86028	2.2
243.08553	10.8
261.22061	3.6
303.23056	2.5
331.84766	1.9
351.23093	8.0
369.24283	9.1
387.25110	9.5
464.27271	2.0
467.27737	4.7
485.28986	16.2
503.30075	20.7
521.31201	3.5
556.26306	3.1
556.36420	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.9
58.67877	1.0
63.97336	1.1
69.07081	1.7
82.21820	1.1
109.10162	10.3
119.08559	1.5
125.09643	1.3
135.11690	1.8
136.72887	1.3
137.09593	2.1
153.13867	2.5
154.12259	100.0
168.13828	15.4
170.96426	1.2
171.13455	1.8
171.14912	47.0
174.90376	1.4
181.40913	1.2
181.52885	1.5
182.15479	1.3
183.78699	1.3
185.16495	2.8
196.16983	19.2
198.14838	2.7
213.19576	2.4
297.34354	1.5
319.08502	2.7
320.08966	2.1
322.10904	1.4
323.23181	2.9
333.25635	1.3
334.10672	6.9
341.24347	35.0
351.26337	2.2
369.27423	34.3
383.29022	8.3
435.94348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74348	0.4
55.05508	0.5
56.05037	3.1
56.05270	0.3
67.05495	1.7
69.07061	2.4
77.25807	0.3
81.07057	0.4
83.08621	1.7
91.05431	0.4
93.07053	0.6
95.08610	1.9
103.84158	0.4
109.10157	6.5
110.09694	0.5
111.08072	0.8
111.11736	0.7
113.94231	0.4
119.08577	0.8
136.11192	0.8
137.09593	3.0
138.09221	0.5
139.07552	0.4
149.13243	0.9
153.13881	3.3
154.12263	100.0
156.10210	1.9
157.13446	0.6
166.15913	0.8
171.14915	47.2
172.13324	1.6
173.11719	0.5
175.09631	0.4
182.15402	2.9
196.16971	0.8
199.18164	0.6
210.18544	4.1
212.16458	1.8
291.20639	2.0
292.19186	0.9
309.21747	3.6
310.20071	0.5
318.07321	0.5
319.08310	0.6
320.09158	2.1
327.22769	27.3
334.10693	2.4
336.12097	0.6
341.24005	1.1
347.26959	2.0
348.25284	1.9
365.27832	3.3
366.26340	0.7
369.27322	0.6
383.29037	28.6
556.16083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49934	0.5
55.05516	0.9
55.08659	0.5
56.05037	5.5
57.06115	0.5
59.51815	0.4
64.39722	0.7
67.05501	2.2
69.07070	2.6
70.06588	0.9
77.43599	0.5
81.07058	1.1
83.08633	1.4
88.24155	0.6
93.07034	1.1
95.08611	2.9
97.10139	0.8
107.08613	1.1
109.10150	6.8
110.09724	0.6
111.08024	0.9
111.11711	0.8
119.08595	1.0
124.11221	0.7
125.09634	1.4
126.09193	1.2
135.11685	2.4
136.11223	1.2
137.09596	1.4
138.12830	0.8
139.11208	0.6
140.10719	0.8
152.14403	0.9
152.96217	0.5
153.09114	0.6
153.12758	1.0
153.13870	4.2
153.92632	0.5
154.12265	100.0
156.08032	0.6
156.10213	0.7
168.13821	2.5
170.11786	3.6
171.14917	50.1
172.13312	1.1
181.17058	1.0
182.15399	36.0
184.13345	2.4
195.18532	0.9
196.16953	27.9
198.14897	1.4
199.18085	7.6
213.19601	6.5
230.39522	0.6
305.22250	2.6
306.20615	0.8
319.08325	3.0
319.23691	1.0
320.09302	1.4
320.22311	0.8
321.09680	2.3
323.23318	2.3
333.25287	2.6
334.10724	9.1
334.23804	2.3
335.11261	0.7
336.12231	1.2
337.24869	0.9
341.20712	0.9
341.24329	22.1
347.26752	0.7
351.26419	3.0
352.24976	0.8
355.25885	18.8
369.27475	32.7
383.24594	1.0
383.29047	16.9
556.19098	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60190	1.4
54.27504	1.4
55.05513	2.3
57.07085	38.9
58.43954	1.4
60.71675	1.6
64.41508	1.5
69.07069	3.2
71.08639	32.6
71.68377	1.6
73.06554	7.4
75.47478	1.6
83.08613	2.9
85.10194	20.7
87.04464	8.2
89.06033	100.0
97.10135	1.8
108.18668	1.7
117.09145	1.7
133.08624	25.1
177.11227	13.3
217.62544	1.9
253.07753	2.2
257.24655	3.7
301.27325	7.1
371.22687	9.3
481.01190	1.9
495.38977	3.2
539.41583	50.0
539.49310	2.0
556.44275	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54955	2.4
56.54713	2.7
57.15577	2.3
62.34428	3.4
81.07063	3.6
88.84358	3.0
89.06031	100.0
95.08554	4.6
111.48515	2.9
116.95680	3.3
133.08577	27.1
135.11705	3.8
136.89311	3.0
165.61865	3.3
177.11240	4.6
327.20367	3.4
371.22803	54.5
539.41589	3.5
556.43744	28.8
556.52692	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
55.01875	0.8
55.05519	7.9
55.62255	0.5
57.03434	0.9
57.07082	5.8
59.36726	0.5
67.05146	0.6
67.05502	13.0
67.65607	0.5
69.07069	24.5
71.04991	6.1
71.08630	37.5
73.06552	0.8
79.05492	5.1
81.07056	25.7
83.04987	1.1
83.08621	17.6
84.82598	0.5
85.06551	4.7
86.25556	0.6
87.08093	2.2
91.05470	3.1
93.07034	7.6
95.08004	0.7
95.08601	22.7
97.06520	10.6
97.10155	11.6
99.08088	38.0
99.78437	0.5
105.07021	3.7
107.08575	5.7
109.10144	16.9
110.71040	0.5
111.08097	2.7
111.11709	6.0
113.09657	0.8
119.08615	6.1
121.10138	13.4
123.08030	0.9
123.11706	8.8
125.09624	1.3
127.11207	4.0
133.10159	5.7
135.11696	13.9
137.09634	2.8
137.13222	5.5
139.11183	2.4
141.09105	3.7
141.12704	0.8
147.11662	5.8
149.13240	4.8
151.11186	1.0
151.14803	2.5
153.12723	6.6
161.13228	3.8
163.11143	0.8
165.12828	1.8
175.14816	1.1
179.14322	0.7
181.12204	0.9
207.21054	2.1
215.17964	0.7
217.14348	2.7
217.19423	6.4
223.20576	1.2
225.22157	1.3
233.19041	0.6
235.20599	1.4
251.20021	24.5
253.21628	2.5
269.21078	18.3
271.22653	100.0
320.08975	0.9
521.42371	4.4
539.42926	3.1
556.30280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.0
56.47087	2.2
57.07071	3.9
65.23085	2.1
67.05512	4.7
69.06734	1.8
69.07059	18.0
71.05006	2.6
71.08633	22.8
78.73586	2.3
81.07052	13.6
83.08627	16.4
88.07629	3.6
91.08594	2.4
93.07047	2.6
95.08612	12.8
95.19169	2.3
97.06553	3.1
97.10168	16.7
99.08092	27.2
99.64095	2.1
109.10152	11.3
111.11737	3.6
121.10154	11.7
123.11680	9.4
130.81609	2.1
133.10133	4.1
135.11658	2.9
137.13263	3.2
147.11650	3.6
151.14790	2.5
152.20177	2.6
161.13231	3.8
183.33084	2.2
189.48477	2.2
207.21065	2.9
217.19492	4.3
225.22037	3.1
253.21495	2.5
256.26370	15.5
271.22653	100.0
302.28571	2.5
311.29208	2.9
556.44861	2.4
556.52747	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28654	0.8
58.13206	0.8
58.39804	0.7
64.71133	0.9
67.16059	0.8
68.74815	0.9
70.99806	0.8
76.04787	1.0
104.79681	1.0
109.01451	0.9
119.01906	4.7
126.81544	1.0
131.01926	1.6
143.01892	19.0
145.03477	4.0
152.02338	1.3
155.01907	8.2
161.02951	12.5
164.02342	1.1
167.01872	4.9
169.03467	14.6
171.05022	2.1
173.02945	19.9
185.02946	31.3
187.04497	17.6
191.03918	1.1
193.50111	1.0
197.02989	12.8
199.04575	1.1
203.04044	11.3
211.04482	1.7
212.04541	1.3
215.03961	18.5
221.05089	1.7
227.03946	12.0
233.05008	2.1
239.03815	1.1
245.05037	97.1
257.05057	5.4
263.06097	13.4
266.69339	1.1
275.06097	100.0
287.06122	11.1
293.07120	13.3
299.06097	2.1
305.07126	16.0
317.07175	4.6
335.08221	17.5
365.04492	1.5
365.09244	20.1
377.09210	4.1
395.10477	2.1
437.11398	4.1
539.14209	2.1
557.15741	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46428	0.9
97.47917	1.0
119.01915	2.5
143.01881	13.2
145.03438	5.1
155.01862	8.5
157.03467	1.7
161.02974	13.6
167.01907	5.4
169.03421	16.5
171.05011	2.6
173.02950	12.7
179.01848	1.9
185.02957	31.2
187.04480	15.4
197.02910	11.5
203.04063	9.3
211.04605	1.2
215.03972	18.0
221.02731	1.1
221.04842	1.1
227.03989	11.7
245.05052	84.8
257.05103	2.4
259.06573	1.6
263.06143	11.0
267.03970	2.1
275.06125	100.0
285.04803	1.4
287.06104	6.9
293.07062	12.0
299.05994	1.3
305.07266	13.7
317.07086	4.9
323.08200	1.4
327.07257	1.2
335.08182	21.4
365.04169	3.1
365.09268	13.5
377.09363	5.5
395.10620	2.4
456.82208	1.2
557.15796	33.4
569.42749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2985
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.03096	1.1
55.05519	5.6
57.03438	8.0
57.07083	67.9
59.06751	1.3
67.05522	13.3
69.07069	13.3
71.08635	55.3
79.03543	1.3
79.05506	1.6
79.65799	1.1
80.38498	1.2
81.07058	24.5
83.08619	19.7
85.10187	33.2
87.14551	1.2
89.06030	1.6
91.05465	2.2
93.07026	2.8
95.08605	40.1
97.10178	11.3
99.04458	2.6
103.84035	1.5
105.07009	1.7
109.02879	2.8
109.10136	21.1
110.03714	1.2
111.11692	2.3
119.08587	1.4
123.11697	7.7
125.13245	1.4
127.03934	1.6
133.10095	1.6
137.13206	2.2
142.58975	1.4
154.92513	1.3
159.11609	1.6
226.15329	1.3
239.21463	1.7
239.23705	25.7
244.88110	1.3
256.26385	2.7
257.24750	6.0
313.27356	100.0
331.28311	21.8
336.12253	2.4
344.27768	1.3
431.24435	1.6
467.91724	1.5
498.47607	1.7
539.29004	2.1
557.45038	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3295
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
50.93353	0.4
52.13319	0.4
53.76596	0.5
54.23120	0.4
61.18657	0.4
69.67825	0.4
81.07057	0.6
93.07041	0.7
95.08607	0.5
107.08600	1.0
107.25286	0.5
127.03923	0.6
133.10181	0.5
147.11684	0.8
219.17365	0.7
220.17728	0.9
336.12463	0.9
337.12888	0.7
395.27850	1.0
490.08206	0.5
539.32556	0.7
557.32953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4203
Annotation	Hericene A
Peak:m/z	Relative Intensity
55.05513	9.2
57.03439	3.7
57.07075	4.0
61.55648	1.9
67.05511	20.6
69.07076	7.7
71.08650	2.5
77.29554	2.0
79.05506	12.3
81.07056	23.8
83.08633	4.8
85.06502	1.7
85.25797	1.9
89.06029	3.8
91.05501	4.7
93.07039	13.9
95.08595	19.8
97.06511	1.9
97.10148	2.9
105.07028	9.7
107.08601	14.0
109.10169	13.1
110.08073	1.9
117.07052	2.2
119.08604	12.1
121.10133	15.3
123.11743	2.9
131.08594	12.2
133.10156	11.6
135.11731	4.6
143.08546	2.3
145.10156	14.8
147.11708	9.5
149.13287	2.8
155.08675	1.9
157.10184	3.9
159.11729	7.8
169.10266	2.9
171.11696	3.2
173.13280	8.3
175.14949	3.5
185.13315	2.3
187.14821	3.6
195.11902	2.0
199.14963	3.8
199.26953	2.2
213.16469	2.7
215.18106	2.3
329.15454	2.1
418.49661	2.3
465.37259	3.0
539.40930	8.4
557.42133	100.0
557.49744	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26966	1.3
81.36928	1.3
90.35221	1.4
109.06863	1.5
115.84577	1.4
116.54188	1.4
132.76083	1.6
134.11902	1.6
148.83859	1.4
272.98349	1.5
460.12720	1.7
464.71051	1.8
484.50674	2.0
501.69742	1.8
520.49219	1.8
524.30011	1.7
557.43848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.5
57.07081	2.1
67.05519	15.1
69.06748	1.2
69.07062	11.5
72.24139	1.3
79.05513	3.3
81.07063	22.5
83.08633	7.9
91.05480	5.4
92.21463	1.6
93.07053	8.8
95.08616	15.0
97.10203	4.8
105.07035	13.2
107.08614	7.8
109.10158	10.0
117.07051	3.0
119.08603	19.1
121.10165	2.9
123.11735	2.6
131.08604	8.7
133.10153	7.7
135.11682	2.0
143.08598	1.8
145.10155	5.4
147.11713	3.3
149.13301	2.7
159.11636	4.5
160.89452	1.5
161.13274	8.9
171.11726	3.1
173.13327	1.5
175.14865	3.1
183.11571	2.1
185.13336	1.7
187.14850	2.1
189.16457	2.9
201.16403	2.7
209.13306	1.6
211.14919	1.7
245.22717	1.7
272.34564	1.4
370.11676	1.4
521.43597	8.7
528.42389	1.5
539.44690	9.3
557.45642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35711	2.1
55.05507	2.9
67.05514	18.2
67.13617	2.2
69.07058	11.4
72.04520	3.7
72.97720	2.8
81.07076	21.9
83.08614	3.9
91.05490	5.2
93.03390	2.6
93.07043	5.0
95.08617	20.9
97.10185	3.8
101.91920	2.7
105.07057	6.2
107.08582	4.5
109.10159	13.3
117.07005	4.4
119.08562	20.0
121.10168	4.7
131.08585	6.1
133.10129	6.5
135.11720	3.5
137.09479	3.2
137.67841	2.8
145.10098	5.0
147.11682	4.1
161.13240	6.4
175.14819	3.7
179.07994	3.9
187.14778	3.3
211.07140	6.3
223.07086	14.3
242.24696	3.3
314.71625	2.9
358.59607	3.2
521.43793	4.1
539.44153	12.9
557.45673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15108	0.3
55.05519	9.2
57.03411	0.4
57.07086	2.8
62.36524	0.4
67.05508	18.3
69.07068	13.7
71.08627	1.6
79.05498	5.7
81.07063	26.5
83.04984	0.8
83.08629	10.9
85.06553	0.5
85.10172	0.5
88.99531	0.4
91.05487	6.1
93.07043	10.8
95.08606	22.9
97.06531	1.7
97.10178	6.3
97.22028	0.3
105.07036	15.8
107.08589	7.4
109.06525	0.9
109.10156	9.2
111.08070	0.9
111.11733	0.8
113.06091	0.5
113.60455	0.4
117.07008	4.6
119.08575	19.5
121.10118	7.9
123.08055	1.7
123.11706	5.8
125.09647	1.5
127.07571	0.5
129.07004	2.0
131.08554	10.5
133.10139	11.1
134.06110	0.5
135.07993	0.7
135.11703	5.4
137.09605	0.5
137.13268	2.7
141.06946	0.5
143.08575	3.7
145.10120	10.7
145.11195	0.5
147.11685	7.0
149.09645	0.5
149.13284	4.0
151.14827	0.5
155.08618	1.7
157.10136	3.2
159.11697	4.9
161.09651	0.4
161.13252	9.4
163.11182	0.8
163.14882	1.5
169.10146	1.6
171.11671	3.3
173.13245	5.2
175.14807	9.5
177.12651	0.5
177.16277	0.5
181.10153	0.9
183.11742	2.8
185.13339	2.6
187.14851	5.0
189.16356	4.8
195.11658	0.7
197.13287	2.5
199.14838	2.1
201.16370	4.4
203.17987	1.7
209.13371	0.7
209.15443	0.6
211.14864	1.6
213.16422	1.8
215.17876	3.0
217.19617	1.9
223.14627	1.1
225.16382	2.8
227.18007	1.8
229.19598	0.6
231.21126	2.4
233.22652	0.5
237.16269	0.8
239.18042	0.6
241.19507	0.9
243.17465	0.5
245.22636	2.3
249.18578	0.5
251.17830	0.7
253.19653	0.6
257.22726	0.4
259.24228	0.8
260.42102	0.5
261.18454	1.0
263.20145	0.5
265.21722	0.6
271.24231	0.7
273.18448	0.4
277.21558	0.5
279.23114	1.9
289.21515	0.5
291.23425	0.7
297.22217	0.5
299.23737	0.7
303.23257	2.3
317.24829	2.3
325.25327	0.8
329.24829	0.6
331.26315	2.7
343.26575	0.6
345.28040	1.0
357.27713	0.5
369.31522	0.6
387.32700	1.0
401.34070	1.0
415.06824	0.5
415.35614	2.3
423.32605	0.6
483.02988	0.5
487.37842	0.7
521.43579	7.2
539.44684	9.7
557.45642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30054	0.6
54.26909	0.5
59.05008	0.8
67.37025	0.8
72.41232	0.6
72.58783	0.7
80.00843	0.6
90.70041	0.7
95.53530	0.7
124.04061	0.7
142.40543	0.8
218.08577	0.9
223.05984	3.0
240.35818	0.8
278.07935	0.7
281.10507	1.4
292.09616	3.0
293.10419	3.4
305.10385	8.4
307.12039	4.3
308.09250	1.0
309.10062	12.1
319.08307	1.2
320.09241	7.0
323.11487	1.1
334.10797	3.7
335.11517	100.0
336.12091	1.8
350.06653	1.6
351.05734	1.4
353.01724	3.0
366.07962	22.0
367.10516	25.4
384.03668	10.8
398.05109	5.4
399.00668	1.6
399.05936	47.8
400.06744	2.7
500.13138	1.7
513.14032	1.3
514.15027	9.2
526.14911	3.2
528.12915	11.5
542.14575	13.9
543.15137	4.2
558.11359	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93372	0.7
78.67212	0.7
83.37128	0.7
88.69724	0.9
97.52894	0.8
104.50997	0.8
114.60905	0.7
134.27737	0.9
186.04968	0.8
193.04918	1.1
263.09311	1.0
279.08911	0.8
279.32507	1.0
294.07675	1.3
306.07483	4.1
308.09207	1.3
319.08234	1.7
320.09158	13.2
322.06967	0.9
333.10077	0.9
334.10733	3.5
335.04257	1.8
336.12268	1.4
350.06577	100.0
365.08875	26.3
529.24280	0.8
540.12695	3.7
558.05829	1.7
558.13861	32.8
558.23328	1.4
558.25671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42688	0.7
55.48022	0.6
61.05201	0.6
62.30204	0.6
67.76434	0.7
78.07710	0.7
108.63957	0.8
114.39452	0.8
116.92941	0.7
164.44299	0.7
190.04968	1.1
219.57780	0.7
224.42052	0.7
290.08066	12.1
302.08011	3.1
304.06012	10.0
318.07571	18.8
319.08386	59.3
320.09158	6.7
321.09476	1.1
334.10718	100.0
335.11078	3.3
336.12296	4.3
401.27429	1.0
447.00098	0.7
536.75830	0.9
558.08490	1.4
558.17242	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21303	0.4
54.92117	0.5
55.59684	0.4
60.59094	0.4
62.30791	0.4
66.00111	0.5
82.05929	0.5
90.37856	0.5
92.20911	1.0
162.59077	0.5
273.07697	0.5
290.08130	12.5
292.09836	0.5
302.08041	3.3
304.06024	10.6
318.07562	16.8
318.34930	0.5
319.08383	59.9
320.09323	2.2
321.09842	0.9
334.10724	100.0
335.10999	0.6
336.12381	4.6
558.17743	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30928	0.1
66.63184	0.1
77.27875	0.1
132.22694	0.1
146.61212	0.1
234.72978	0.1
262.00296	0.1
273.07776	0.3
276.06598	0.8
289.07550	0.2
290.08093	12.7
302.08099	4.1
303.08685	0.3
304.06021	13.3
305.06870	0.1
318.07593	17.6
319.08374	59.7
334.10715	100.0
387.59052	0.1
558.17578	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07230	0.5
59.03260	0.5
75.66543	0.5
97.20576	0.5
112.26614	0.5
152.75784	0.5
199.23296	0.6
224.96510	0.6
290.08118	12.5
302.08102	4.2
304.06049	10.7
318.07623	14.0
319.08380	55.4
334.10712	100.0
358.99869	0.6
442.98822	0.7
558.17560	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63933	1.6
63.49688	1.8
77.66866	1.7
78.05053	1.9
79.28329	2.1
86.15490	2.1
119.96201	1.9
135.70990	2.1
290.07999	14.7
304.05908	15.2
318.07556	12.5
319.08377	49.8
320.08884	4.8
334.10742	100.0
336.12015	2.4
366.76251	2.1
391.81027	2.3
402.09775	28.8
558.17261	37.9
558.25061	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42437	0.4
53.06369	0.4
62.45300	0.4
63.04458	0.4
65.67625	0.7
69.50971	0.5
106.25576	0.5
152.91333	0.5
220.10080	0.6
264.29465	0.5
290.08145	12.1
302.08069	3.5
304.06018	12.2
313.62381	0.5
318.07623	20.1
318.84982	0.6
319.08392	60.4
320.09171	2.0
334.10715	100.0
406.10703	1.3
422.10120	1.9
424.11804	6.4
558.18011	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01257	0.6
58.89459	0.5
62.43146	0.6
84.98338	0.6
87.80360	0.6
102.52700	0.6
108.75751	0.7
137.53993	0.6
146.22447	0.6
164.13531	0.6
285.56601	0.6
290.08115	10.6
302.08185	3.5
304.06009	9.7
318.07605	13.4
319.04602	1.3
319.08414	59.5
334.10739	100.0
336.12280	5.6
375.64764	0.7
558.17578	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68282	0.7
67.66646	0.7
76.77338	0.6
94.02485	0.7
95.59818	0.7
100.11350	0.8
216.49428	0.7
290.08112	11.4
302.08130	4.6
304.05960	11.9
318.07584	19.4
319.08374	58.3
334.10712	100.0
345.56500	0.8
558.17609	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80904	0.4
57.45858	0.4
60.93589	0.4
64.47259	0.4
66.63877	0.4
79.83044	0.4
83.54629	0.4
92.70211	0.4
154.29095	0.4
170.97710	0.4
177.05396	1.6
186.46754	0.5
222.23419	0.5
239.19142	0.5
290.08130	2.0
292.09589	4.8
304.05994	0.7
318.07556	2.5
319.08514	4.6
320.09167	100.0
321.09662	1.0
334.10773	10.3
336.12250	2.6
379.12146	0.5
425.51044	0.5
509.63098	0.5
527.71936	0.5
558.17267	6.9
559.12164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43247	0.2
64.52563	0.2
80.41308	0.2
87.35046	0.2
94.29183	0.2
103.95086	0.2
202.99870	0.2
290.08081	0.9
292.09671	3.9
318.07529	1.0
319.08420	1.3
320.09171	100.0
334.10706	1.7
336.12167	0.2
558.17517	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48143	0.3
74.39051	0.3
87.99850	0.3
207.06444	0.4
276.06494	0.5
290.08127	9.3
298.43774	0.3
302.08124	2.6
304.06049	9.7
304.84280	0.4
306.07196	0.3
314.17062	0.3
318.07578	13.6
319.08377	47.6
320.09052	2.4
322.10718	1.4
332.86847	0.4
334.10727	100.0
335.11008	0.4
336.08694	0.4
336.12189	2.1
507.55115	0.4
558.21509	6.2
579.14972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
91.23938	0.4
112.62830	0.5
123.84285	0.4
123.88126	0.5
168.14583	0.4
182.70522	0.5
204.25409	0.4
290.07904	0.6
292.09595	3.9
292.36234	0.5
318.07538	0.9
319.08453	2.6
320.09167	100.0
334.10672	3.8
358.10538	0.6
372.12393	0.8
502.43195	0.5
518.88507	0.5
558.20978	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
91.23938	0.4
112.62830	0.5
123.84285	0.4
123.88126	0.5
168.14583	0.4
182.70522	0.5
204.25409	0.4
290.07904	0.6
292.09595	3.9
292.36234	0.5
318.07538	0.9
319.08453	2.6
320.09167	100.0
334.10672	3.8
358.10538	0.6
372.12393	0.8
502.43195	0.5
518.88507	0.5
558.20978	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94650	0.3
69.86344	0.3
111.68076	0.3
150.18007	0.4
150.80618	0.4
160.70793	0.3
178.50356	0.4
185.44499	0.4
276.06775	0.5
290.08078	11.1
302.07919	2.5
304.05997	9.5
318.07587	12.4
319.08368	45.4
320.09055	2.4
322.10562	1.5
334.10712	100.0
335.11197	0.6
336.12250	4.8
467.15244	0.4
558.21582	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59225	0.5
50.68309	0.6
53.03954	3.2
54.85820	0.5
55.05516	3.3
69.03422	3.2
70.06611	0.7
71.04999	1.0
75.32201	0.6
80.04965	0.7
81.03424	8.0
83.04982	8.3
85.02920	6.2
91.71892	0.6
97.02896	4.8
99.04459	100.0
101.06030	1.2
107.62334	0.6
109.02885	1.2
117.05489	11.7
119.07051	4.7
127.03912	4.5
145.04961	2.9
148.07556	3.6
151.58807	0.6
194.08121	3.0
198.07483	0.8
234.11288	1.3
242.61739	0.8
243.08604	1.1
261.09723	9.9
263.11249	0.7
281.12344	2.6
298.12610	1.0
321.58340	0.8
361.15057	5.3
379.15857	5.7
524.35297	0.7
540.20624	1.0
558.21948	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59225	0.5
50.68309	0.6
53.03954	3.2
54.85820	0.5
55.05516	3.3
69.03422	3.2
70.06611	0.7
71.04999	1.0
75.32201	0.6
80.04965	0.7
81.03424	8.0
83.04982	8.3
85.02920	6.2
91.71892	0.6
97.02896	4.8
99.04459	100.0
101.06030	1.2
107.62334	0.6
109.02885	1.2
117.05489	11.7
119.07051	4.7
127.03912	4.5
145.04961	2.9
148.07556	3.6
151.58807	0.6
194.08121	3.0
198.07483	0.8
234.11288	1.3
242.61739	0.8
243.08604	1.1
261.09723	9.9
263.11249	0.7
281.12344	2.6
298.12610	1.0
321.58340	0.8
361.15057	5.3
379.15857	5.7
524.35297	0.7
540.20624	1.0
558.21948	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
54.29863	0.4
56.55607	0.5
57.25346	0.4
61.02943	0.5
63.84613	0.5
67.62933	0.4
69.03419	1.3
70.06625	0.7
73.06540	0.5
77.78123	0.5
81.03427	6.7
83.04973	0.5
83.09273	0.5
85.02901	6.5
86.09706	0.7
97.02886	4.3
99.04459	100.0
101.06028	11.6
103.91795	0.6
109.02899	3.3
117.05495	13.1
119.07063	3.1
123.04422	0.5
127.03901	5.0
145.04962	3.1
147.04399	0.8
242.51695	0.8
243.08717	3.4
261.09702	18.4
276.63263	0.6
323.07825	0.8
337.72693	0.6
361.14899	2.7
379.15985	10.2
451.64374	0.6
474.69229	0.6
540.21069	0.7
558.20721	2.3
575.78290	0.6
579.24158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83773	0.4
67.05482	0.4
82.38943	0.5
98.24186	0.5
98.90244	0.5
105.06959	0.6
121.06480	0.6
141.26801	0.5
147.04391	0.6
184.49199	0.5
292.09659	10.7
304.09717	1.1
306.07608	2.5
318.07510	0.7
319.08374	1.8
320.09183	16.8
321.06110	1.1
321.09924	30.5
334.10739	4.6
335.11243	2.0
336.12265	100.0
514.14948	1.7
526.14911	0.5
528.12756	2.2
542.14264	2.8
548.77069	0.6
558.16937	7.8
558.25397	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06175	3.4
51.86089	3.1
58.06607	4.8
59.65862	3.0
60.94992	3.1
69.03431	4.5
70.06601	6.4
71.51208	3.1
71.68831	3.7
81.03389	4.4
82.43701	3.5
82.87730	3.7
85.02850	5.9
87.84101	4.1
95.45116	3.2
97.02851	3.4
103.05440	5.6
107.04969	16.1
115.11174	4.3
119.04934	9.3
121.06557	5.3
125.23206	3.8
125.24292	3.2
131.04932	22.9
131.50119	3.7
133.06427	4.6
135.04355	4.5
135.08083	5.8
137.05003	5.7
137.05984	100.0
147.04410	15.2
149.06006	7.7
151.07570	39.8
161.05954	95.8
161.09637	19.8
162.06740	7.3
163.07544	97.8
167.28951	4.0
175.07568	19.3
177.09149	5.5
179.07033	7.6
181.08630	7.7
183.74649	3.8
189.09094	73.3
195.08080	4.7
203.95103	4.1
207.06432	4.5
207.10136	61.1
223.07451	4.8
227.10735	5.1
253.12282	5.8
255.10123	16.8
285.11252	4.9
287.12744	6.7
311.12616	17.8
313.14319	21.0
331.15372	94.5
343.15344	15.3
399.36755	4.5
558.19104	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54487	1.7
69.03450	2.5
76.71281	2.1
85.02908	4.2
91.05491	4.7
103.05464	3.8
105.07049	3.8
107.04958	20.7
119.04926	10.8
121.06541	3.2
127.03914	2.8
129.07043	3.3
131.04951	17.8
133.02895	6.8
133.06505	13.8
134.40714	2.1
135.08051	7.8
137.05975	100.0
147.04419	19.2
149.05962	11.5
151.07555	52.1
157.06470	4.5
159.49884	2.2
161.05968	92.1
161.09605	19.8
162.06786	10.9
163.01817	2.0
163.07536	71.7
165.05559	2.6
165.09079	3.5
174.06711	2.8
175.07561	11.7
177.09045	3.7
179.07068	8.7
181.08580	8.4
189.09114	82.1
191.06996	3.2
193.99661	1.9
207.10161	64.6
219.10188	4.1
221.09666	3.1
223.07489	3.5
227.10591	14.0
237.09122	2.7
253.12238	3.0
255.10057	14.5
281.11780	3.4
285.11255	9.2
287.12698	13.6
291.12164	7.8
297.11154	3.8
311.12625	13.4
313.14334	14.1
331.15390	83.5
343.15390	11.4
558.19318	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.0
62.21064	1.0
66.86786	1.1
69.03438	1.2
71.14918	1.1
77.06507	1.0
79.26497	1.0
83.05005	1.1
85.02904	7.9
90.20651	1.0
91.05467	7.6
92.21473	1.4
92.95247	1.1
95.04960	1.5
95.95420	1.1
97.02876	1.9
99.04461	1.6
103.05487	4.8
105.07052	2.4
107.04945	11.3
109.06520	1.1
119.04926	11.2
121.06495	2.3
129.07068	1.4
131.04913	17.4
133.02814	2.5
133.06511	5.9
135.08054	6.1
137.05977	71.3
145.04901	1.4
147.04391	12.3
148.05043	1.3
149.05981	15.0
151.07539	53.6
157.06470	7.2
161.05974	77.2
161.09592	17.4
162.06764	6.1
163.03830	2.5
163.07518	68.0
165.05484	1.7
165.09126	2.3
175.07518	10.6
177.05469	2.5
177.09077	4.5
179.06958	2.6
180.33136	1.1
181.08592	9.5
189.09100	70.3
191.07001	2.5
195.08087	2.5
195.09982	1.3
207.10159	69.8
207.12131	2.4
209.09572	1.6
214.86685	1.3
219.10129	7.0
221.09679	1.6
223.07538	2.5
227.10677	10.7
249.09109	1.7
253.08580	5.4
253.12184	6.8
255.10150	15.2
265.08591	1.6
285.11212	12.7
287.12759	13.4
297.11240	4.6
299.12726	5.5
311.12790	15.0
313.14328	11.9
331.15378	100.0
343.15350	9.9
361.12674	1.5
361.16537	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21821	0.4
57.99332	0.4
67.05491	1.0
69.07047	0.5
75.77712	0.4
79.05460	2.0
81.07047	1.1
91.05456	0.9
93.07022	2.2
95.08574	1.0
96.59685	0.4
105.07043	0.7
107.08566	1.8
109.10077	0.5
119.08550	0.9
121.10112	1.0
133.10147	1.0
135.11687	0.6
145.10057	0.6
147.11655	0.6
159.11781	0.5
173.13191	0.6
207.72516	0.5
232.65062	0.5
277.21655	1.0
282.06985	0.5
292.09467	0.8
304.09332	0.8
320.09290	4.3
321.09952	5.4
329.10233	1.8
330.11288	4.7
334.10477	2.9
336.08624	0.7
336.12280	14.8
336.54163	0.5
343.25998	0.8
346.10812	6.7
358.10739	0.6
360.12268	6.0
374.13788	0.5
414.16382	0.5
504.23557	0.9
514.25836	3.5
526.25104	2.1
528.23761	10.3
542.25507	4.1
543.26044	0.6
558.28040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07352	1.3
67.05531	2.2
71.04919	1.1
71.07377	1.7
75.62619	1.2
79.05542	1.3
86.09714	43.0
88.90376	1.4
104.10778	1.7
124.14813	1.2
162.95549	11.9
184.07291	1.7
449.02429	1.6
499.22195	49.6
535.98163	1.7
558.29626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31282	3.9
51.13233	3.4
72.12147	4.6
74.85556	5.4
76.69186	4.4
81.07050	8.5
83.08600	5.8
86.09705	32.0
95.08598	6.2
104.10743	97.5
139.76328	5.9
161.61208	4.6
220.51648	5.4
220.81902	5.8
320.09103	20.7
354.66681	5.7
420.26996	6.8
499.22049	18.6
558.29456	100.0
558.45618	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91702	1.4
51.46924	1.5
51.52509	1.5
53.03947	7.9
55.05510	7.8
59.54214	1.5
67.05507	22.4
69.03437	7.4
69.07063	10.0
71.05003	2.4
71.08633	2.1
73.02576	1.7
73.02908	15.5
75.34429	1.6
79.05505	8.9
81.03421	14.5
81.07053	30.8
83.04986	2.4
83.08603	7.4
85.02921	19.7
90.14180	1.8
91.05485	9.2
93.07050	13.5
95.08614	22.8
97.02895	10.1
97.10184	3.6
98.42039	1.8
99.04453	100.0
105.07011	10.4
107.08589	8.6
109.02905	9.5
109.10130	18.0
111.04435	2.0
119.08578	4.2
121.10135	10.8
123.11715	4.0
127.03891	8.8
131.08626	3.2
133.10098	4.0
135.11694	3.5
141.05457	2.5
145.10103	2.8
147.11676	3.1
149.13301	2.3
159.11647	1.9
161.13271	2.8
169.57983	1.9
173.13327	2.3
175.14859	2.8
185.13206	2.9
243.08658	7.9
263.23706	7.9
280.03040	2.0
284.43918	2.2
371.25702	9.7
389.26907	4.4
407.27765	3.7
427.28232	2.1
469.29324	8.5
487.31070	15.3
505.31509	25.3
558.31433	3.1
558.46130	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	14.0
54.71693	2.5
55.05496	4.9
56.78804	3.1
67.05508	20.0
69.03431	4.4
69.07070	3.2
71.04949	3.4
73.02917	25.2
74.06078	3.0
81.03414	19.0
81.07061	28.9
83.08640	3.8
85.02909	6.6
85.10220	3.6
89.06012	4.7
91.05515	3.8
93.07072	5.0
95.08601	21.9
97.02936	7.6
97.10165	3.5
99.04453	100.0
102.59695	3.4
105.07049	7.7
107.08573	5.8
109.10157	4.2
121.10213	4.6
123.11684	4.5
127.03926	5.9
143.11803	3.4
179.57086	3.6
229.71875	3.8
243.08638	12.2
278.21899	3.2
320.09402	4.2
334.10779	5.6
353.24631	5.0
371.25668	5.3
389.26669	4.6
407.27890	4.6
409.73932	3.1
469.29562	6.4
487.30362	22.2
505.31647	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21350	4.8
55.05517	12.9
65.47536	4.9
67.05517	45.6
69.03436	34.8
69.07063	29.3
77.75250	6.6
79.05508	61.5
81.03412	27.5
81.07054	64.6
83.04987	11.3
83.08616	10.5
85.02900	15.1
86.55989	6.1
91.05473	40.8
93.07047	100.0
95.08620	42.1
97.02902	13.6
105.07027	55.4
105.65513	5.9
107.08588	55.5
109.02857	9.1
109.06479	7.4
109.10162	32.5
111.04462	9.3
117.06237	6.3
117.07021	41.5
119.08578	58.5
121.10156	52.9
123.11694	8.6
127.03862	9.0
129.07019	15.4
131.08568	40.5
133.10130	44.1
134.71796	6.4
135.08078	5.9
135.11740	31.1
143.08571	16.3
145.10143	55.0
147.11691	42.8
149.13206	8.6
155.08617	7.0
157.10112	14.3
159.11697	33.9
161.13261	8.6
163.11084	7.8
169.10071	9.8
171.11664	32.3
173.13263	33.8
183.11674	8.9
185.13283	27.2
201.16261	8.3
259.20633	22.4
301.21463	10.1
313.21664	9.1
336.12259	34.3
367.22681	14.6
385.23810	60.0
403.06470	6.1
403.24750	61.4
421.25778	66.5
465.16626	7.2
529.86145	8.0
558.35999	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08560	2.6
55.01884	6.1
55.05523	42.0
57.03440	8.3
57.07069	5.7
67.05507	87.3
69.03437	45.7
69.07069	37.7
71.01351	4.1
71.04991	4.8
79.05505	55.9
81.03426	49.6
81.07063	99.8
83.04989	54.3
83.08612	18.9
85.02892	33.0
91.05487	49.5
92.21542	4.4
93.07045	80.3
95.04976	6.8
95.08605	98.6
97.02872	27.3
97.06522	5.5
97.10172	6.8
99.04444	6.4
99.08050	5.4
105.07037	55.9
107.04953	6.3
107.08594	49.7
109.02888	19.0
109.06511	17.2
109.10165	53.8
111.04436	14.4
111.08064	5.8
117.07008	32.4
119.08569	46.6
121.06478	14.1
121.10132	66.0
123.04386	5.4
123.08016	4.4
123.11721	8.4
125.05977	4.2
127.03920	16.3
129.05531	4.3
129.07002	23.6
131.08568	46.7
133.10123	53.3
135.08064	7.2
135.11705	35.0
143.08591	24.9
145.06494	7.1
145.10132	48.0
147.11693	39.2
149.09650	3.7
149.13252	23.5
155.08572	13.2
157.06551	4.1
157.10150	26.4
159.08005	3.6
159.11699	39.1
161.13226	26.3
163.14853	4.0
169.10100	16.8
171.11670	21.4
173.13252	21.6
175.11147	5.1
175.14798	8.1
177.12746	3.9
183.11664	4.6
185.09541	3.9
185.13239	14.2
187.11240	5.9
187.14809	5.0
191.10736	4.6
191.14345	4.0
197.13232	5.3
199.11206	4.6
199.14745	4.7
209.13138	5.2
211.14835	4.6
227.14288	4.7
259.20477	8.7
261.22153	5.2
270.46951	4.4
271.20547	4.2
277.14401	5.4
277.21628	5.9
279.23294	5.2
288.96390	3.9
289.21552	4.3
298.07346	3.7
299.16315	4.7
301.21506	7.1
303.23206	21.1
315.23090	6.4
321.09973	4.2
327.23203	6.7
341.24869	14.4
345.24173	13.3
351.23053	14.6
369.24173	68.0
387.25314	100.0
405.26324	90.1
423.27386	33.6
505.31503	6.2
558.28259	8.2
558.45825	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.3
55.05515	29.9
57.03438	5.5
67.05511	65.6
69.03436	44.8
69.07065	29.8
69.24622	3.9
71.05000	8.7
79.05502	53.2
81.03410	42.7
81.07063	86.9
82.96049	4.2
83.04968	9.2
83.08625	27.3
85.02907	31.2
91.05492	41.6
93.07048	81.0
95.04999	10.0
95.08606	100.0
95.36371	4.7
97.02893	30.4
97.10165	9.1
99.04444	5.2
99.34647	5.1
101.06017	63.3
105.07030	49.9
107.04927	5.7
107.08597	59.1
109.02861	24.0
109.06478	10.5
109.10136	41.1
109.99558	4.6
111.04430	9.3
117.07020	28.5
119.08591	43.8
121.06515	10.4
121.10132	57.5
123.08053	4.2
123.11671	10.3
127.03922	21.5
131.08574	40.1
133.10127	31.6
134.43698	4.5
135.11697	37.1
143.08549	18.7
145.10123	30.4
147.11662	33.7
149.13263	10.0
157.10150	10.1
159.08145	6.5
159.11674	39.6
161.13225	10.4
163.14870	6.4
167.08623	6.2
169.10159	8.0
171.11688	16.2
173.13249	23.6
185.13220	10.4
187.14738	9.2
227.20033	5.7
233.15102	6.1
261.22238	21.8
277.21442	6.1
279.06189	5.2
291.49344	5.2
303.23184	17.9
341.24680	11.0
351.23077	9.6
359.25833	7.0
369.24094	49.6
387.25238	78.7
397.38434	4.9
405.26245	84.6
423.27402	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09839	9.0
55.05510	51.8
55.75243	8.9
63.93635	9.2
67.05499	65.4
67.23640	9.9
69.03438	18.1
69.07051	19.7
79.05530	19.0
79.08423	11.8
81.03432	26.9
81.07057	100.0
83.04977	56.5
91.05489	19.5
93.07052	60.6
95.08607	83.6
97.02893	26.6
97.10189	12.8
107.08600	48.0
109.10159	21.3
119.08588	43.3
121.06477	44.4
121.10142	64.5
123.11697	13.6
131.08565	46.7
133.10153	46.3
135.11684	27.3
145.10155	26.6
147.11671	24.6
149.13254	14.9
159.11745	27.6
161.13271	19.2
261.22147	18.3
311.47992	12.3
369.24127	20.7
387.25012	16.5
405.26340	26.5
423.27487	19.8
474.99985	10.8
540.81787	13.1
558.28070	97.6
558.35822	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
55.05523	35.4
56.69196	0.8
62.38356	1.0
62.42488	0.9
63.99847	0.8
67.05513	13.6
69.07078	1.6
72.63297	0.9
79.05505	8.3
81.03405	2.3
81.07065	19.6
83.04990	100.0
83.08643	1.9
88.81487	0.9
91.05487	5.4
93.07042	12.8
95.08608	17.0
95.44949	1.0
97.10191	1.3
101.06034	1.2
105.07050	6.2
107.08629	9.3
107.70081	0.9
109.10154	12.5
117.07010	2.2
119.08577	5.0
121.10163	8.4
123.11692	6.2
131.08580	6.8
133.10178	2.0
135.11693	5.0
137.13194	1.2
145.10098	4.3
147.11684	2.3
157.10033	1.0
159.11726	4.6
161.13339	1.7
173.13278	1.3
177.16376	1.0
243.21193	1.8
261.22159	5.7
277.21719	1.8
279.23138	10.6
331.26428	1.3
336.08542	1.0
336.12537	1.7
343.26285	6.5
361.27316	20.3
379.28476	4.0
560.95441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02932	0.5
70.41793	0.4
74.02441	18.0
85.02909	3.6
87.05594	34.3
87.06136	1.1
88.03989	7.0
97.02890	0.8
99.04424	0.7
116.03459	10.4
127.03913	2.3
133.06090	100.0
145.04979	0.9
153.51761	0.5
170.59937	0.5
188.03868	0.5
191.64502	0.5
193.54620	0.5
257.58377	0.5
307.44296	0.5
400.80780	0.6
431.35626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08353	0.4
51.50268	0.5
61.02940	0.7
69.03442	1.0
70.02919	0.6
74.02444	18.6
85.02902	11.8
85.06548	0.6
87.05592	35.5
88.03988	5.9
91.03972	1.0
97.02885	2.2
99.04429	0.5
99.70686	0.5
103.07585	1.0
116.03458	8.6
127.03890	3.9
133.06088	100.0
145.04950	5.3
163.06023	2.5
199.00542	0.6
217.10628	0.6
229.10721	0.5
246.89920	0.5
247.11749	2.1
265.12872	2.2
409.17258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3029
Annotation	(+)-Macbecin I
Peak:m/z	Relative Intensity
54.80630	0.9
55.23187	1.0
64.09509	0.9
73.76575	0.9
108.01869	2.5
131.47734	1.0
252.15739	4.2
357.00714	1.3
392.52350	1.3
461.26416	1.7
475.13300	1.2
515.31592	2.3
559.30292	100.0
559.44409	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.7
55.94484	9.1
57.88461	9.9
59.90530	9.3
64.62396	9.6
65.74355	11.5
67.05496	23.8
67.34592	10.2
69.07068	25.7
81.03414	10.0
81.07059	55.3
81.21523	11.1
83.04964	9.5
83.08588	12.9
85.18121	11.0
86.42133	11.1
95.08605	55.4
104.10764	58.1
104.30460	11.2
107.08609	14.4
109.10171	23.6
121.10143	11.8
133.10042	11.1
138.53418	14.1
245.22676	18.1
263.23715	21.5
280.26306	100.0
290.00266	10.8
392.33868	12.4
393.43927	11.6
448.97916	12.4
544.75977	11.8
559.29016	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44000	5.6
55.05524	8.9
57.07082	13.1
58.01944	6.0
62.64433	5.9
67.05506	43.8
68.17738	6.5
69.07059	43.3
70.53680	6.7
71.08643	9.9
79.05479	10.0
81.07075	69.2
82.61543	7.0
83.08632	41.1
83.80037	6.3
85.06520	7.4
95.08603	69.4
97.06565	6.6
97.10194	34.3
100.07638	7.3
107.08627	14.9
109.10156	42.9
114.09190	10.7
121.10136	9.6
123.11713	34.0
133.10112	10.0
135.11723	12.1
141.38898	6.8
142.82326	7.5
157.92072	8.1
161.13225	7.8
165.25783	6.6
245.22633	43.4
252.12042	17.1
263.23587	68.8
280.26422	100.0
525.46246	8.7
546.08893	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.9
57.07086	15.9
62.03851	1.9
67.05514	33.4
69.07076	32.3
71.08630	9.2
79.05491	9.4
81.07057	49.2
83.08622	31.5
84.08141	2.5
86.06063	3.9
91.05480	10.8
93.07052	21.4
95.08604	57.2
97.06512	8.8
97.10173	16.9
100.07612	7.2
105.07030	11.9
107.08588	12.9
109.10149	31.0
111.08070	2.3
111.11746	3.1
114.09155	4.3
119.08604	15.9
121.10148	14.8
123.08068	4.0
123.11725	12.6
124.77385	2.4
125.09561	2.4
128.10796	2.3
133.10107	16.8
135.11682	7.5
137.09558	6.8
137.13274	3.7
145.10123	2.4
147.11694	12.7
149.13255	2.7
151.11227	2.6
151.14804	3.6
161.13271	7.9
165.16426	2.9
175.14818	4.5
179.18028	2.9
245.22720	14.4
263.23663	29.7
280.26349	100.0
280.29446	4.1
313.48828	2.1
381.79269	2.4
430.40582	2.0
524.47925	3.0
559.43121	5.2
559.51660	15.1
564.72961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61410	0.5
52.36169	0.5
53.00319	0.7
53.03959	0.5
55.01886	0.9
55.05520	20.2
57.07083	13.1
58.06610	0.5
58.28362	0.4
60.22234	0.4
67.05508	31.3
69.07071	34.9
71.04990	1.2
71.08633	9.1
72.08144	1.1
74.68786	0.5
79.05504	8.8
81.07060	52.0
83.04991	1.3
83.08623	30.5
84.08148	3.2
85.06537	2.5
85.10185	3.1
86.06068	5.0
86.09711	0.6
91.05484	9.3
93.07043	16.4
95.04958	0.7
95.08607	57.7
97.06525	6.4
97.09525	0.5
97.10167	22.2
98.09692	1.3
99.08127	1.2
100.07637	7.8
105.07038	9.6
107.08595	13.2
109.06503	2.8
109.10156	32.6
109.10913	1.3
111.08075	5.8
111.11730	4.3
112.07590	1.2
113.09623	1.1
114.09168	8.5
117.07038	0.7
119.08575	14.4
121.10146	14.6
123.08076	3.4
123.11706	13.8
125.09618	4.3
126.09138	3.0
127.11163	0.8
128.10707	3.7
131.08498	0.7
133.10138	19.0
135.11697	9.3
137.08704	0.8
137.09576	5.1
137.13266	4.7
139.11176	2.3
140.10703	1.3
142.12245	1.0
145.10129	1.1
147.11676	11.8
149.13257	7.6
151.11171	3.7
151.14799	2.7
153.12779	1.2
154.12289	0.8
156.13808	1.2
159.11653	2.3
161.13255	10.5
163.14838	5.2
165.12747	2.2
165.16383	4.8
167.14214	0.9
168.13850	0.7
170.15344	0.9
173.13274	0.8
175.14806	4.9
177.16359	0.8
179.14346	1.4
179.17923	3.5
181.15857	1.1
182.18953	0.8
184.16982	1.3
189.16415	4.2
191.18005	0.7
198.18539	1.1
203.17987	1.3
205.19495	0.8
210.18469	0.7
217.19519	1.1
219.21173	2.5
221.22746	1.0
245.22597	22.1
253.11011	0.6
262.25433	0.7
263.23676	33.8
280.26337	100.0
373.39410	0.7
402.37207	0.7
415.09583	0.7
416.38901	3.2
433.99054	0.6
449.50919	0.7
524.48120	3.6
525.46509	1.2
542.49384	8.3
559.43860	1.2
559.51935	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40091	11.8
55.05529	21.7
57.07071	13.7
67.05508	29.9
67.98719	13.1
69.07069	60.8
81.07048	69.5
83.08631	51.9
93.07021	22.5
95.08604	100.0
97.10226	17.8
107.08538	14.2
109.10159	65.5
109.41698	13.3
111.42681	13.1
121.10149	15.6
123.11700	18.5
133.10103	27.1
165.16344	15.4
191.09270	13.2
192.47304	11.8
244.34721	12.9
245.22676	22.1
261.46878	12.8
263.23709	61.9
280.26315	83.8
337.13379	13.0
375.23880	12.5
550.63062	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71276	2.1
55.05524	39.1
57.07072	18.0
57.22507	2.2
60.60575	2.1
60.74620	2.2
63.88732	2.2
66.31085	2.6
67.05511	41.7
69.07072	65.9
71.08617	4.6
72.04483	2.6
79.05492	10.5
81.07066	75.2
83.04971	2.4
83.08630	49.5
84.78724	2.7
86.06080	5.3
91.05425	3.5
93.07037	16.5
95.08009	3.6
95.08603	92.1
97.06515	14.1
97.10180	36.8
100.07630	17.0
101.01796	2.4
105.07005	10.1
107.08593	20.1
109.10161	51.7
111.08079	12.7
111.11720	12.4
114.09151	10.8
119.08611	10.8
120.66032	2.4
121.10129	27.7
123.11691	16.7
125.09594	6.0
126.11798	2.8
128.10762	4.4
133.10153	15.1
135.11697	16.0
137.13284	3.3
142.12248	4.2
147.11690	6.4
149.13232	15.1
151.11179	3.4
151.14857	3.6
161.13264	11.6
163.14830	10.3
165.16356	5.3
170.15324	4.1
175.14867	4.2
177.16336	2.5
177.91237	2.6
179.80800	2.9
189.16406	4.6
245.22652	35.5
252.12004	48.6
263.23688	65.1
280.15179	14.4
280.26358	100.0
351.07138	2.6
456.51065	3.2
542.49005	3.3
559.40466	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75199	0.4
61.17354	0.4
62.28662	0.5
62.67674	0.4
69.31237	0.5
73.83116	0.5
105.25755	0.5
142.66364	0.5
209.04457	7.9
290.08224	0.6
306.07443	1.1
307.08475	0.6
308.09326	1.0
318.07187	0.7
319.08392	3.7
320.09061	4.8
321.09924	2.2
322.07248	8.9
322.10901	1.0
334.10638	7.0
335.11179	0.7
336.08606	1.1
336.12286	2.6
337.09363	8.6
352.11810	3.3
364.08234	1.2
426.09760	0.8
428.07611	4.8
440.11374	0.9
442.09299	2.1
443.09961	12.4
454.08527	0.7
458.12177	8.2
466.08997	0.6
467.10034	0.9
468.10986	2.4
469.11664	0.7
470.08716	3.1
471.09430	4.9
482.12268	2.5
484.10355	3.3
485.10989	7.3
486.11557	5.0
487.35522	0.6
498.11938	1.3
499.12247	0.7
500.13403	7.4
502.11316	15.4
512.09521	4.3
517.13708	4.8
528.12836	14.4
530.10852	12.9
542.14764	3.4
545.13104	8.0
560.15460	100.0
560.22003	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37202	0.8
68.37708	0.7
71.37740	0.8
79.04598	0.8
157.78760	1.0
170.01457	0.9
181.44803	0.8
190.04974	1.9
199.37614	1.0
202.56216	0.9
235.65155	0.9
235.67770	0.8
248.98787	0.8
272.94891	0.9
290.08176	9.8
302.07935	1.3
304.05945	5.6
316.06232	1.1
318.07568	24.0
319.04779	0.9
319.08408	25.6
320.09064	6.4
321.09692	1.8
334.06818	1.9
334.10748	40.8
335.11163	1.7
336.12228	5.8
399.11005	1.3
414.09674	5.0
418.12695	1.6
446.12296	18.1
472.13049	1.0
488.12170	0.9
500.13327	1.3
502.11212	4.8
516.12964	2.0
530.10413	1.6
544.12482	6.0
560.15399	100.0
560.22137	5.3
583.55023	1.0
585.85059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97176	0.6
53.72027	0.6
55.37146	0.8
56.85532	0.6
64.39032	0.7
74.59303	0.7
80.75347	0.6
101.63805	0.6
103.96265	0.7
132.99481	0.8
278.07831	0.9
292.09604	0.9
305.10422	0.9
307.08392	4.7
319.08301	2.6
320.09119	9.4
321.09900	6.7
322.10776	3.8
324.08875	1.5
334.10745	2.5
335.11316	4.4
336.12274	3.5
362.45663	1.0
371.11230	1.0
372.12405	1.6
386.13821	3.3
400.11652	1.3
402.69009	0.8
412.11496	1.4
414.13522	3.0
415.13925	0.8
426.13644	1.0
428.11542	5.6
429.12173	1.1
440.11337	3.5
442.13037	5.4
443.13712	19.3
444.14368	14.1
454.12692	1.1
456.10858	12.5
457.11728	9.3
459.12927	1.0
468.10928	3.1
470.11911	1.3
471.13199	15.6
472.07693	1.0
472.13940	22.3
483.13068	7.5
500.13208	0.8
514.14771	3.2
532.15784	3.6
542.14337	3.6
560.15466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94535	0.3
59.84386	0.3
67.40411	0.4
69.32781	0.3
72.01411	0.3
75.27130	0.3
104.33852	0.3
131.09032	0.3
154.39095	0.3
158.87143	0.3
224.95500	0.3
276.10086	0.5
277.15015	0.4
279.09100	0.4
292.13327	0.4
294.11340	0.7
304.09860	0.5
306.83527	0.4
308.09512	0.4
320.09225	1.4
320.12958	4.5
321.09964	0.5
323.08090	0.5
323.11343	2.5
332.09265	0.8
334.10855	3.9
335.11606	0.7
336.12283	3.7
338.13715	0.5
346.10797	3.4
348.12302	4.7
360.12634	0.6
362.10184	0.5
376.11911	1.3
397.22818	0.3
404.15027	0.6
418.13101	0.5
424.11594	0.4
426.13336	0.5
430.12415	0.4
436.11826	0.4
442.12903	0.4
452.11096	0.4
453.11984	0.7
453.67276	0.4
456.14560	1.4
458.16104	1.7
468.14331	4.9
470.16302	0.7
482.16034	0.7
484.13718	1.3
486.15610	0.6
496.14090	0.7
498.15396	0.6
499.16556	0.5
500.17099	1.7
502.15091	3.8
512.13397	0.4
516.16553	11.1
526.15308	0.5
528.16406	4.2
529.13361	0.4
530.14398	14.1
542.18079	2.1
544.16071	21.0
545.16797	4.8
560.19220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94535	0.3
59.84386	0.3
67.40411	0.4
69.32781	0.3
72.01411	0.3
75.27130	0.3
104.33852	0.3
131.09032	0.3
154.39095	0.3
158.87143	0.3
224.95500	0.3
276.10086	0.5
277.15015	0.4
279.09100	0.4
292.13327	0.4
294.11340	0.7
304.09860	0.5
306.83527	0.4
308.09512	0.4
320.09225	1.4
320.12958	4.5
321.09964	0.5
323.08090	0.5
323.11343	2.5
332.09265	0.8
334.10855	3.9
335.11606	0.7
336.12283	3.7
338.13715	0.5
346.10797	3.4
348.12302	4.7
360.12634	0.6
362.10184	0.5
376.11911	1.3
397.22818	0.3
404.15027	0.6
418.13101	0.5
424.11594	0.4
426.13336	0.5
430.12415	0.4
436.11826	0.4
442.12903	0.4
452.11096	0.4
453.11984	0.7
453.67276	0.4
456.14560	1.4
458.16104	1.7
468.14331	4.9
470.16302	0.7
482.16034	0.7
484.13718	1.3
486.15610	0.6
496.14090	0.7
498.15396	0.6
499.16556	0.5
500.17099	1.7
502.15091	3.8
512.13397	0.4
516.16553	11.1
526.15308	0.5
528.16406	4.2
529.13361	0.4
530.14398	14.1
542.18079	2.1
544.16071	21.0
545.16797	4.8
560.19220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29742	0.3
56.41832	0.2
70.94421	0.3
145.80080	0.3
147.52913	0.3
178.08423	0.3
216.95975	0.3
285.12225	0.3
290.08102	0.4
292.09686	4.1
305.06961	0.6
308.12897	1.5
319.08380	1.1
320.09167	26.9
321.09958	7.4
332.08923	0.4
334.10803	3.4
335.11511	8.3
336.12289	100.0
396.65759	0.3
471.14758	0.3
494.21198	0.3
560.19525	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34217	0.5
82.20123	0.5
85.02438	0.5
105.19883	0.7
145.62947	0.6
221.67746	0.7
263.09430	2.8
264.10147	1.0
278.08109	1.4
279.12543	5.8
290.07965	1.2
291.08917	6.0
292.09674	11.0
293.10464	1.2
294.11240	36.1
307.12009	100.0
308.09494	0.9
308.12848	17.8
318.07632	3.2
319.08264	5.3
320.09113	10.8
321.09366	5.1
322.07263	1.1
322.10703	23.8
323.11523	2.9
334.07260	1.1
334.10748	14.5
335.11169	4.7
336.12082	10.8
337.13055	1.1
352.15564	1.0
472.17477	0.8
484.13965	0.9
512.13013	4.7
513.13959	0.7
528.16382	3.3
560.19019	93.3
578.67883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1919
Annotation	Lamellarin I
Peak:m/z	Relative Intensity
57.39575	0.5
60.00392	0.5
61.27710	0.6
70.03062	0.5
82.57790	0.6
85.49602	0.6
86.97610	0.6
89.17487	0.6
89.80727	0.6
147.47388	0.8
164.07085	1.4
165.09114	1.4
202.68556	0.6
237.92354	0.7
244.61555	0.6
250.08496	6.6
264.06592	1.3
268.86066	0.8
275.90781	0.7
278.08179	4.7
279.08856	17.1
291.08856	0.8
294.11246	100.0
304.06128	0.9
307.08685	0.8
308.12778	5.5
318.07620	2.6
319.08524	5.7
320.09131	15.0
321.09708	3.0
322.10822	7.6
323.11447	2.8
334.10767	12.3
335.11145	3.0
336.12265	14.1
337.12973	10.3
352.15430	30.2
470.12512	1.1
472.17599	0.9
486.15561	1.0
498.11179	1.3
502.14877	1.1
511.14764	0.8
512.13300	1.5
516.16644	10.4
528.16895	5.8
530.14575	10.7
544.15967	12.8
545.17010	5.7
560.19092	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28405	0.4
55.89927	0.5
62.18692	0.5
78.47909	0.5
78.60058	0.5
91.81030	0.6
92.45982	0.5
167.07022	19.4
278.08310	1.0
290.08237	0.8
291.08920	3.6
302.11722	0.6
304.06259	0.6
306.07626	10.4
307.08475	3.5
318.07590	0.7
319.08414	2.7
320.05530	1.9
320.08997	1.2
321.09912	3.2
322.07318	0.7
322.10651	5.4
332.09167	0.9
334.07162	2.7
334.10919	2.4
335.07861	2.7
336.12289	5.1
337.12192	0.6
349.09448	0.8
350.10199	7.8
357.52649	0.7
376.11896	4.8
466.13016	2.0
480.14438	0.9
484.13580	5.0
486.15607	2.8
493.15500	1.0
496.13837	3.8
498.15543	9.8
512.13318	2.7
514.14838	1.3
516.16589	1.0
526.14740	2.5
542.17932	8.4
544.16010	3.8
560.19122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14402	0.5
50.57907	0.6
58.73093	0.6
61.02635	0.6
67.30550	0.5
67.61964	0.6
85.16390	0.6
250.08578	4.0
264.06607	2.1
278.08112	5.7
279.08859	17.9
290.08057	3.0
292.09912	0.8
293.80823	0.7
294.11243	100.0
304.06149	1.0
306.07642	1.6
306.10934	0.7
307.08325	2.5
307.11975	1.6
308.09430	1.3
308.12772	13.9
318.07599	1.4
319.08243	9.1
320.09015	8.6
320.12692	2.1
321.09363	3.1
322.10654	12.3
323.11319	1.3
334.06808	1.4
334.10730	23.6
335.11130	4.4
336.12216	24.0
337.13077	25.5
337.17209	0.8
352.15439	80.5
484.13669	0.9
498.11725	1.0
502.14761	1.6
512.13239	2.6
516.16455	6.4
528.16394	3.7
530.14441	9.6
544.16016	10.3
545.16559	4.1
560.19019	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95615	0.1
66.20383	0.2
70.01416	0.2
122.18391	0.2
146.77646	0.2
275.09555	0.2
278.08194	0.2
290.08023	0.4
291.08783	0.3
292.09662	10.0
304.09616	2.0
305.06143	0.2
306.07645	3.3
318.07632	0.2
319.08142	1.7
320.09106	15.1
321.09933	27.1
334.10709	2.5
335.11194	3.2
336.12274	100.0
494.13205	0.2
516.16315	0.2
560.18799	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25539	0.2
62.00212	0.2
64.29572	0.2
97.42416	0.2
141.34123	0.2
290.07999	0.4
291.08710	1.0
292.09662	12.4
304.06293	0.3
304.09534	1.8
305.06485	0.3
306.07477	3.1
318.07272	0.3
319.08197	2.3
320.09070	17.1
321.09924	26.4
334.10699	2.6
335.11069	4.6
336.12265	100.0
388.60596	0.3
428.24292	0.3
560.18866	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06223	0.5
54.71645	0.6
55.31358	0.7
59.73154	0.7
61.40008	0.6
85.41056	0.7
92.11994	0.6
113.91733	0.8
155.44228	0.6
167.07018	18.7
167.08331	0.9
176.26704	0.8
189.87025	0.8
223.99754	0.7
246.48804	0.6
263.78180	0.7
278.08081	1.0
290.08337	0.8
291.08969	2.8
306.07614	11.2
307.08469	4.2
319.08389	3.5
320.05652	1.0
320.09171	2.5
321.10028	1.0
322.07352	1.1
322.10669	5.2
332.09265	1.2
334.07199	1.1
334.10858	2.4
335.07922	3.2
350.10199	11.1
352.11655	0.8
362.09940	0.9
376.11624	4.7
451.10760	0.7
466.13269	1.2
480.14661	0.9
483.12900	0.8
484.14056	3.9
486.15616	1.5
493.14758	1.1
496.14072	3.1
498.15613	12.0
499.16293	1.0
508.14215	1.0
512.13623	2.9
516.16644	0.9
526.14832	4.8
542.18030	8.9
544.15912	1.6
545.16858	0.8
560.19159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1923
Annotation	Lamellarin I
Peak:m/z	Relative Intensity
60.52552	0.6
63.33217	0.5
67.30592	0.5
91.39230	0.5
92.23586	0.5
97.15929	0.6
98.61392	0.6
99.26349	0.6
165.15468	0.6
167.06990	1.0
190.05092	3.2
209.04597	1.2
250.08745	0.9
263.09500	1.4
264.06546	1.2
264.10373	1.1
278.07990	1.9
279.09186	1.2
279.12503	1.9
290.08032	1.0
291.08929	2.6
292.09717	3.1
294.11234	7.0
306.07614	1.0
307.08673	1.4
307.11923	7.7
308.09323	2.3
318.07831	1.1
319.08475	5.7
319.76511	0.6
320.09128	11.3
321.09735	5.1
322.10709	8.6
323.11456	7.6
334.10724	11.3
335.11267	4.1
336.12079	9.6
350.10367	1.2
442.13019	2.6
468.14478	4.1
470.12396	4.6
471.12964	2.3
472.13913	8.2
484.13834	4.0
486.15533	5.8
496.14148	1.0
498.11853	3.0
502.14935	4.9
512.13409	3.9
513.13904	0.9
516.16644	13.4
526.15131	1.4
527.16003	0.6
528.16547	7.9
530.14429	17.8
544.15991	25.4
545.17041	4.6
560.19177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57960	0.8
65.30774	0.9
67.77672	0.9
81.07102	1.1
91.05472	1.4
95.74965	1.1
121.06480	1.7
167.07043	14.9
189.70186	1.3
290.08444	1.4
291.08984	2.1
292.09695	5.0
293.10278	1.9
306.07608	11.9
307.08383	5.8
307.92444	1.1
319.08267	5.7
320.05698	2.9
320.09149	11.3
321.09805	16.8
322.10568	8.0
323.11630	1.5
332.08972	1.5
334.07108	2.1
334.10757	6.9
335.07855	2.3
335.11588	1.9
336.12256	40.3
337.12671	11.2
338.13748	4.7
344.09030	1.3
350.10278	9.1
352.15408	1.9
373.70621	1.2
376.11795	1.4
468.14346	1.4
480.14334	1.3
484.13776	5.6
486.15091	1.5
498.15686	11.6
512.13080	1.4
516.16064	1.6
526.14630	1.7
530.14423	6.1
542.18323	9.4
544.15991	2.7
560.18988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01013	0.6
64.50600	0.7
65.97222	0.8
75.16979	0.7
75.78970	0.6
82.84042	0.7
137.06172	0.8
165.09151	3.0
179.04732	0.8
185.52795	0.7
250.08528	6.1
278.08179	8.4
279.08865	14.2
292.09814	1.3
294.11230	100.0
306.07712	4.1
307.08368	8.3
307.11752	1.1
308.12848	3.9
320.09186	23.1
320.12656	1.5
321.09964	3.8
322.10730	9.9
323.11780	1.1
334.10803	1.8
336.08597	1.4
336.12265	12.5
337.09552	1.5
337.13223	6.2
352.15472	16.8
458.12546	1.1
498.12265	0.9
499.96912	1.0
511.43616	0.8
512.10754	1.1
516.16498	9.6
528.16821	1.7
530.14789	9.6
542.14612	4.4
543.43835	4.5
544.16089	11.3
545.16962	4.5
560.19220	81.6
560.45990	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94535	0.3
59.84386	0.3
67.40411	0.4
69.32781	0.3
72.01411	0.3
75.27130	0.3
104.33852	0.3
131.09032	0.3
154.39095	0.3
158.87143	0.3
224.95500	0.3
276.10086	0.5
277.15015	0.4
279.09100	0.4
292.13327	0.4
294.11340	0.7
304.09860	0.5
306.83527	0.4
308.09512	0.4
320.09225	1.4
320.12958	4.5
321.09964	0.5
323.08090	0.5
323.11343	2.5
332.09265	0.8
334.10855	3.9
335.11606	0.7
336.12283	3.7
338.13715	0.5
346.10797	3.4
348.12302	4.7
360.12634	0.6
362.10184	0.5
376.11911	1.3
397.22818	0.3
404.15027	0.6
418.13101	0.5
424.11594	0.4
426.13336	0.5
430.12415	0.4
436.11826	0.4
442.12903	0.4
452.11096	0.4
453.11984	0.7
453.67276	0.4
456.14560	1.4
458.16104	1.7
468.14331	4.9
470.16302	0.7
482.16034	0.7
484.13718	1.3
486.15610	0.6
496.14090	0.7
498.15396	0.6
499.16556	0.5
500.17099	1.7
502.15091	3.8
512.13397	0.4
516.16553	11.1
526.15308	0.5
528.16406	4.2
529.13361	0.4
530.14398	14.1
542.18079	2.1
544.16071	21.0
545.16797	4.8
560.19220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58937	0.5
75.24143	0.6
80.54990	0.7
89.04787	0.6
111.95100	0.7
121.54295	0.7
130.09270	0.7
168.08980	0.7
253.29398	0.7
255.68156	0.6
263.09390	3.8
264.10065	1.4
278.08011	1.0
279.09048	1.5
279.12521	5.8
284.44086	0.8
290.08051	1.1
291.08850	4.7
292.09634	11.7
293.10471	0.9
294.07825	1.2
294.11197	33.6
304.05817	0.7
307.12015	100.0
308.12762	18.7
318.07599	1.5
319.08185	6.2
320.09033	12.7
321.09351	3.7
322.10721	27.8
323.11578	3.2
334.10709	15.3
335.11032	3.0
336.12073	9.0
338.13843	0.8
484.13919	0.9
486.15918	0.9
512.13190	4.2
528.16412	3.5
560.19025	84.7
568.73511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01013	0.6
64.50600	0.7
65.97222	0.8
75.16979	0.7
75.78970	0.6
82.84042	0.7
137.06172	0.8
165.09151	3.0
179.04732	0.8
185.52795	0.7
250.08528	6.1
278.08179	8.4
279.08865	14.2
292.09814	1.3
294.11230	100.0
306.07712	4.1
307.08368	8.3
307.11752	1.1
308.12848	3.9
320.09186	23.1
320.12656	1.5
321.09964	3.8
322.10730	9.9
323.11780	1.1
334.10803	1.8
336.08597	1.4
336.12265	12.5
337.09552	1.5
337.13223	6.2
352.15472	16.8
458.12546	1.1
498.12265	0.9
499.96912	1.0
511.43616	0.8
512.10754	1.1
516.16498	9.6
528.16821	1.7
530.14789	9.6
542.14612	4.4
543.43835	4.5
544.16089	11.3
545.16962	4.5
560.19220	81.6
560.45990	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1914
Annotation	Lamellarin I
Peak:m/z	Relative Intensity
64.71912	0.4
76.53491	0.4
96.68254	0.4
132.76938	0.5
158.51022	0.5
260.95969	0.6
304.10062	0.9
320.09085	3.9
321.09793	2.6
322.10806	0.7
332.09073	1.0
333.10168	1.0
334.10754	9.8
335.11469	1.9
336.12216	5.2
346.10721	11.6
348.12311	13.6
348.16205	0.7
349.13068	2.9
358.10858	0.8
376.11859	4.1
404.15152	2.0
418.13052	2.0
444.14722	0.5
446.12589	1.0
447.13297	4.5
456.14236	0.7
490.14917	0.8
500.17123	0.9
502.14832	0.8
516.16602	2.6
528.16638	0.7
530.14636	5.2
542.18048	5.7
544.16138	2.8
545.16937	3.4
560.19171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1922
Annotation	Lamellarin I
Peak:m/z	Relative Intensity
50.14402	0.5
50.57907	0.6
58.73093	0.6
61.02635	0.6
67.30550	0.5
67.61964	0.6
85.16390	0.6
250.08578	4.0
264.06607	2.1
278.08112	5.7
279.08859	17.9
290.08057	3.0
292.09912	0.8
293.80823	0.7
294.11243	100.0
304.06149	1.0
306.07642	1.6
306.10934	0.7
307.08325	2.5
307.11975	1.6
308.09430	1.3
308.12772	13.9
318.07599	1.4
319.08243	9.1
320.09015	8.6
320.12692	2.1
321.09363	3.1
322.10654	12.3
323.11319	1.3
334.06808	1.4
334.10730	23.6
335.11130	4.4
336.12216	24.0
337.13077	25.5
337.17209	0.8
352.15439	80.5
484.13669	0.9
498.11725	1.0
502.14761	1.6
512.13239	2.6
516.16455	6.4
528.16394	3.7
530.14441	9.6
544.16016	10.3
545.16559	4.1
560.19019	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67037	0.6
64.56589	0.6
92.20863	0.8
138.58577	0.7
250.33942	0.8
292.09772	4.4
304.09653	2.9
306.07697	6.5
320.09174	8.1
321.09955	26.3
323.11523	1.7
332.09314	1.2
334.10721	7.5
335.11618	1.1
336.12296	44.5
346.10757	5.5
348.12296	8.1
349.13300	1.0
376.12170	1.1
447.13312	1.1
458.15967	1.0
464.23538	0.7
468.14410	1.2
490.15439	0.8
502.15164	3.0
503.01086	0.8
516.16498	6.6
528.16290	1.3
530.14502	9.2
542.18079	3.3
544.16156	10.7
545.16699	1.6
552.22748	0.8
560.19202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08524	0.5
54.38483	0.5
59.71279	0.6
87.77560	0.6
92.20972	0.9
101.46009	0.7
102.70840	0.6
117.92863	0.6
123.42834	0.6
193.31917	0.6
205.30318	0.9
228.85469	0.7
241.98886	0.7
320.09238	1.6
321.10037	2.7
334.10806	1.0
336.12347	4.6
346.10934	1.2
348.12405	1.6
454.16809	1.2
458.15851	3.3
468.15155	1.0
472.17743	9.1
484.17627	3.3
485.15317	1.0
486.15512	15.5
500.17145	21.5
501.18164	5.9
502.14960	1.6
512.13470	2.8
516.16760	6.7
526.15448	1.5
528.16504	2.7
530.14301	9.0
544.16058	17.7
545.17029	4.2
560.19196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
58.06577	0.5
58.11850	0.4
59.88135	0.5
61.02921	0.5
65.97350	0.4
69.03429	6.5
71.05000	0.7
73.02907	2.1
75.04390	0.5
81.03418	2.8
84.26940	0.4
85.02902	16.2
86.09706	0.8
87.04464	0.5
91.03927	0.7
97.02883	4.9
99.04476	2.2
103.03978	0.8
107.04956	85.4
109.02877	4.5
113.02360	11.0
115.05386	0.7
117.07063	0.5
121.06495	2.7
127.03891	8.9
131.04933	1.0
133.87755	0.5
137.05969	11.3
143.04932	7.7
145.05026	1.1
145.05206	1.2
145.06509	10.3
145.07414	0.6
151.07524	5.5
152.34697	0.6
160.05109	1.2
163.07509	4.0
174.02350	0.6
175.07539	26.3
178.08650	2.5
194.07388	0.6
197.09625	0.6
198.05199	0.5
209.09615	10.0
219.08080	1.1
237.09090	16.7
254.09392	2.1
269.11703	40.1
286.11093	1.1
286.14337	20.3
286.17496	0.7
319.08484	0.9
334.10745	2.9
559.43121	0.6
560.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40764	0.3
78.85413	0.4
82.36827	0.3
90.54675	0.4
152.57504	0.3
160.60663	0.4
173.65234	0.4
249.07932	0.4
272.97937	0.5
278.08209	0.5
279.08826	1.5
294.11276	5.0
307.12009	0.8
308.12790	16.0
319.08344	0.6
320.09076	1.8
320.12814	3.2
321.09705	0.8
322.10690	9.8
323.11472	0.5
328.48486	0.4
334.10782	4.2
336.12289	23.0
337.13074	33.5
352.15417	100.0
484.71283	0.5
486.15546	0.4
486.76810	0.5
544.15845	0.7
560.22083	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18430	0.4
113.68883	0.5
143.23785	0.4
260.88599	0.5
279.08813	1.8
283.03833	0.5
290.08157	1.6
294.11252	12.4
306.07419	0.5
307.08313	0.6
307.11728	1.6
308.12778	15.1
318.07593	1.0
319.08347	7.7
320.09030	6.0
320.12775	3.6
321.09744	1.0
322.10724	10.0
334.10730	16.1
335.11099	1.8
336.08191	0.5
336.12265	26.8
337.13052	34.2
352.15430	100.0
461.71466	0.5
528.15704	0.7
530.13898	0.8
544.15778	2.2
560.19305	14.2
567.80957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40764	0.3
78.85413	0.4
82.36827	0.3
90.54675	0.4
152.57504	0.3
160.60663	0.4
173.65234	0.4
249.07932	0.4
272.97937	0.5
278.08209	0.5
279.08826	1.5
294.11276	5.0
307.12009	0.8
308.12790	16.0
319.08344	0.6
320.09076	1.8
320.12814	3.2
321.09705	0.8
322.10690	9.8
323.11472	0.5
328.48486	0.4
334.10782	4.2
336.12289	23.0
337.13074	33.5
352.15417	100.0
484.71283	0.5
486.15546	0.4
486.76810	0.5
544.15845	0.7
560.22083	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49797	0.2
74.19942	0.2
83.89565	0.2
93.07066	0.2
114.61942	0.3
126.83167	0.2
219.26906	0.3
279.08884	0.9
290.08200	0.4
291.12628	0.3
291.62903	0.3
292.09952	0.4
294.11230	3.1
304.05988	0.3
307.12018	0.5
308.12775	14.9
318.07785	0.3
319.08401	2.2
320.09103	3.9
320.12839	2.8
321.09674	1.1
322.10764	7.9
323.11588	0.5
334.10712	5.4
335.11160	0.5
336.12283	22.2
337.08789	0.4
337.13074	33.9
352.15430	100.0
363.21649	0.4
364.08020	0.3
413.00571	0.3
516.16730	0.4
530.14777	0.3
544.15814	1.2
560.21222	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51313	0.5
53.03969	0.7
57.03420	0.7
64.01295	0.6
66.85896	0.6
69.03430	4.6
76.40455	0.7
81.03424	4.7
85.02899	6.7
87.99504	0.7
91.05531	0.9
92.20937	0.7
93.07037	1.5
95.04972	0.9
95.62019	0.6
96.04498	0.8
97.02908	5.6
99.04465	15.8
103.05492	0.8
107.03723	0.7
107.04971	4.2
108.04479	3.2
109.02857	1.1
115.03967	0.7
115.09595	0.7
121.06501	100.0
122.06011	11.7
126.05528	4.5
126.23527	0.7
127.03890	7.0
144.06563	1.1
145.05023	1.2
147.47487	0.7
148.07607	2.7
150.09158	3.6
162.07623	3.8
167.65138	0.8
174.07773	1.0
200.10826	0.8
200.72948	0.8
216.10312	0.9
236.89020	0.8
246.11281	9.3
264.12286	8.3
282.13348	14.2
290.69611	1.1
346.26071	0.8
362.16010	7.0
380.17050	12.0
398.18237	8.0
524.21490	5.7
542.22296	25.9
560.23456	42.0
587.80396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51313	0.5
53.03969	0.7
57.03420	0.7
64.01295	0.6
66.85896	0.6
69.03430	4.6
76.40455	0.7
81.03424	4.7
85.02899	6.7
87.99504	0.7
91.05531	0.9
92.20937	0.7
93.07037	1.5
95.04972	0.9
95.62019	0.6
96.04498	0.8
97.02908	5.6
99.04465	15.8
103.05492	0.8
107.03723	0.7
107.04971	4.2
108.04479	3.2
109.02857	1.1
115.03967	0.7
115.09595	0.7
121.06501	100.0
122.06011	11.7
126.05528	4.5
126.23527	0.7
127.03890	7.0
144.06563	1.1
145.05023	1.2
147.47487	0.7
148.07607	2.7
150.09158	3.6
162.07623	3.8
167.65138	0.8
174.07773	1.0
200.10826	0.8
200.72948	0.8
216.10312	0.9
236.89020	0.8
246.11281	9.3
264.12286	8.3
282.13348	14.2
290.69611	1.1
346.26071	0.8
362.16010	7.0
380.17050	12.0
398.18237	8.0
524.21490	5.7
542.22296	25.9
560.23456	42.0
587.80396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91058	0.5
53.03960	3.5
68.81182	0.6
69.03430	4.3
70.06632	0.7
71.04992	1.1
81.03422	8.4
85.02911	6.6
89.88689	0.7
95.04935	1.0
97.00521	0.6
97.02903	1.4
99.04459	41.6
106.83888	0.6
107.04959	53.1
109.02898	2.7
119.04964	1.0
121.06516	4.3
125.25445	0.7
127.03944	3.9
127.07547	1.5
128.21077	0.6
128.62642	0.6
131.04984	0.6
133.06468	0.7
137.06003	6.1
142.65300	0.6
143.04915	5.4
145.04970	0.9
145.06487	8.1
145.73242	0.7
145.74628	0.6
151.07568	1.4
153.21901	0.6
155.06984	0.7
161.05986	0.7
162.63148	0.7
163.07570	2.8
167.07068	1.3
175.07556	16.8
178.08614	0.9
180.10263	0.8
183.06595	0.9
192.10237	3.2
197.09636	1.2
209.09651	6.1
224.13243	0.7
225.09077	2.6
237.09099	9.9
239.10625	1.0
254.09340	1.0
257.11716	2.6
268.13321	0.9
269.11725	24.5
271.13449	1.0
285.17859	0.6
299.98654	0.7
300.15924	32.4
325.60974	0.7
496.88376	0.8
560.24927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67074	0.6
53.95906	0.5
58.00099	0.5
58.06614	1.4
64.64565	0.5
66.56942	0.7
69.03397	1.1
70.06586	1.0
81.03418	3.1
85.02911	1.7
85.42193	0.6
96.86919	0.6
97.02892	0.9
98.89887	0.6
99.04462	12.6
105.54652	0.7
107.04958	50.9
109.02904	1.1
115.05458	1.6
121.06519	4.4
124.52759	0.8
127.91714	0.6
137.05977	9.7
143.04921	14.0
145.06483	8.5
151.07523	1.4
157.06400	1.1
161.05977	0.9
163.07538	1.6
174.05562	0.8
175.07532	8.4
178.08549	0.7
180.10181	2.8
190.09486	0.7
192.06529	1.6
192.10208	16.3
209.09650	3.0
224.87856	0.7
237.09088	8.4
260.33319	0.8
269.11746	27.9
271.13367	1.2
282.07385	0.8
285.09937	4.5
300.12366	19.1
300.15930	86.5
319.08374	0.8
331.15387	1.0
333.16061	1.4
334.10724	4.3
374.76419	0.7
380.69016	0.9
549.83282	0.8
560.25214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	2.3
69.03416	2.2
71.04991	1.5
75.61848	1.2
81.03432	7.7
85.02913	7.2
87.08062	1.6
97.02916	3.2
99.04456	43.3
101.07375	1.4
105.57922	1.6
107.04954	50.5
109.02915	3.0
121.06511	3.4
127.03943	3.1
137.06009	8.0
143.04874	2.1
145.06534	8.1
147.04428	2.6
160.46410	1.7
163.07616	2.3
175.07530	17.6
192.10252	3.4
209.09644	5.9
237.09045	11.0
239.10835	1.4
257.11783	1.7
269.11710	21.5
288.51431	1.6
300.15945	24.7
474.01047	2.1
560.24994	100.0
588.53265	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
56.84653	0.5
57.03463	0.4
62.26778	0.5
62.50344	0.4
66.35736	0.4
69.03436	5.3
71.04990	2.2
73.02939	0.6
81.03426	8.2
85.02917	5.4
85.42786	0.4
97.02908	3.3
99.04460	46.4
107.04960	50.8
109.02884	2.6
119.04944	0.7
121.06507	4.4
127.03927	3.2
127.07564	2.9
131.04974	0.6
137.05991	9.4
143.04938	5.5
145.04958	0.5
145.06488	7.3
147.04436	0.5
151.07547	2.8
160.05203	0.8
163.07584	2.7
167.06992	1.2
175.07550	17.2
177.09183	0.6
182.00117	0.5
183.06561	2.4
192.10217	2.6
192.41322	0.6
197.09647	2.5
209.09619	6.5
225.09177	1.2
237.09090	10.7
239.10730	0.9
249.64041	0.5
254.09573	0.8
257.11798	2.2
268.13339	0.8
269.11716	25.4
300.15952	31.8
394.80643	0.6
452.76477	0.6
515.14459	0.5
560.24921	100.0
580.28448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
69.03421	4.5
81.03418	7.3
81.65882	0.8
85.02910	5.7
85.14549	0.7
97.02891	1.8
99.04463	41.5
107.04959	45.6
109.02889	1.3
119.04922	1.0
121.06497	4.5
127.03937	3.2
137.06006	8.2
143.04933	4.9
145.06488	6.9
163.07588	1.6
168.75722	1.0
175.07552	13.8
192.10257	1.2
209.09682	5.3
225.09106	1.2
237.09100	9.7
254.09526	0.8
257.11813	1.1
258.76450	0.8
269.11710	22.9
271.13522	1.0
291.18530	0.8
296.51981	1.1
300.15933	27.7
560.24921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
57.15695	0.6
67.32661	0.8
69.03436	0.9
76.69134	0.8
81.03440	3.2
85.02914	1.1
93.33868	0.8
99.04463	12.7
103.30472	0.8
107.04958	48.4
107.05684	1.7
121.06501	6.8
130.81604	0.9
137.05974	9.4
141.68588	0.8
143.04918	13.8
145.06450	7.9
151.07607	1.8
155.08322	0.8
162.09270	0.8
163.07632	3.6
175.07532	8.5
180.10155	1.7
192.10213	13.7
206.11868	1.0
209.09624	1.1
237.09061	8.1
269.11713	27.8
269.14328	1.2
271.13406	1.1
298.14731	0.9
300.15948	85.9
560.25024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.6
69.03435	3.7
71.04994	0.8
81.03426	6.6
85.02896	5.6
97.02917	2.5
99.03816	1.2
99.04459	35.4
101.55068	0.6
107.04959	48.5
109.02873	2.9
121.06512	3.7
127.03926	2.3
136.16710	0.6
137.05974	5.9
143.04941	4.4
145.04837	0.7
145.06511	7.2
151.07614	1.2
163.07552	3.5
175.07516	14.8
192.10220	2.5
197.09636	1.3
208.31216	0.7
209.09575	5.1
210.12941	0.7
219.08173	0.7
225.09213	1.2
232.76268	0.8
237.09062	8.2
257.11850	2.6
269.11700	23.2
271.13275	0.9
287.05139	0.7
300.15948	26.5
341.62689	0.7
560.24921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05764	0.6
53.03958	2.9
55.05512	0.7
58.06607	2.9
59.29584	0.6
69.03429	6.8
71.04999	1.0
81.03426	11.3
85.02907	12.4
97.02882	6.1
98.65573	0.7
99.04453	50.0
101.06029	2.9
105.52971	0.9
107.04952	83.1
109.02880	4.6
113.02364	3.4
115.05428	1.4
119.04916	1.3
121.06508	5.7
124.45406	0.7
126.33968	0.7
127.03901	7.4
131.04926	1.2
137.05994	13.4
140.70435	0.8
143.04906	8.7
144.05692	0.8
145.06487	8.4
147.08018	0.9
151.07533	4.8
160.05220	1.0
163.07536	4.3
175.07520	26.0
178.08682	1.1
192.10201	4.2
195.08008	0.8
197.09552	2.6
209.09589	9.6
219.07993	1.1
225.09126	0.9
237.09053	15.4
254.09326	1.3
257.11716	2.9
269.11697	44.8
271.13382	0.9
286.14377	5.8
300.15927	33.9
300.19144	1.6
319.08316	3.1
320.09174	14.2
322.10672	1.0
334.10675	11.4
491.48410	0.8
560.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
55.58918	0.4
56.05015	0.4
57.03429	0.4
59.64280	0.3
62.00369	0.3
67.05497	2.3
69.07077	0.6
72.04472	0.4
79.05492	1.7
81.03381	0.6
81.07037	2.3
83.04987	3.8
84.35840	0.4
85.02896	0.6
88.11328	0.4
90.55161	0.4
91.05490	3.6
93.07045	7.4
95.04970	0.9
95.08593	2.4
96.04463	0.6
97.02876	3.4
98.06048	0.8
99.02961	0.4
103.05469	2.7
105.01736	0.4
105.07059	0.8
107.04941	1.7
107.08599	1.7
108.04488	0.7
110.06095	0.4
119.08550	0.9
121.06502	100.0
121.10102	0.9
122.06042	2.5
126.05523	5.3
133.10083	0.5
135.11668	0.8
144.06584	2.7
145.10118	0.6
147.11739	0.6
148.07582	2.3
150.09206	1.5
160.29567	0.4
162.07668	1.0
163.11174	0.6
166.07834	0.5
175.63895	0.4
176.06973	0.4
216.10257	0.6
246.11220	3.4
264.12378	2.6
268.35498	0.4
282.07730	0.6
282.13412	3.8
300.08682	6.8
339.34937	0.5
346.11121	0.5
444.62610	0.5
524.33887	4.6
542.34778	26.6
560.36023	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05511	4.0
57.07079	4.4
58.86635	0.7
67.05516	7.5
69.03426	6.0
69.07078	8.4
70.22272	0.7
71.04990	1.4
71.08647	1.0
73.02923	18.6
74.01431	0.8
76.68729	0.8
79.05506	2.2
81.03419	15.8
81.07058	10.6
83.04971	1.1
83.08631	9.2
85.02895	10.4
85.10165	0.9
87.04477	1.6
92.21454	1.2
93.07046	5.2
95.08629	10.9
95.31661	0.9
97.02901	9.9
97.10165	6.0
99.04455	100.0
105.07039	1.2
107.08591	4.6
109.02879	8.0
109.10144	6.8
111.04446	1.5
111.08121	0.9
111.11742	1.5
119.08584	1.4
121.10135	9.5
123.11653	1.2
127.03905	9.5
133.10121	1.2
135.11700	7.4
141.05476	3.6
145.04985	1.7
147.07980	1.6
149.13261	1.8
153.12703	1.0
159.08017	1.0
225.07419	1.0
243.08592	16.9
247.24112	1.2
254.38708	0.8
265.25244	4.3
269.79794	1.1
345.27911	1.0
349.27451	1.0
355.26514	1.5
373.27539	10.8
391.28442	13.1
409.29553	6.0
471.31094	10.2
489.31998	22.9
507.26321	1.7
507.33112	25.7
525.34131	3.7
560.37329	1.2
588.32880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52843	0.8
53.03955	5.8
55.05516	4.3
55.46046	1.1
57.07084	4.2
63.00592	0.9
65.28523	0.9
67.05499	5.7
69.03432	6.8
69.07073	11.4
71.04988	1.5
71.08634	1.7
73.02920	17.4
73.88603	0.9
75.19930	0.9
79.05497	4.1
81.03424	15.5
81.07053	10.7
83.08619	6.9
85.02897	11.2
87.04475	1.6
93.07050	5.1
95.08613	12.5
97.02910	11.2
97.10181	6.5
99.04454	100.0
105.07050	1.8
107.08581	4.5
108.04499	2.3
109.02869	2.7
109.10155	6.2
111.11705	1.8
119.08578	2.1
121.06510	1.3
121.10166	8.1
123.11685	1.2
127.03907	9.3
133.10146	1.8
135.11681	6.3
141.05446	1.8
143.08487	1.2
147.11705	1.3
149.13251	1.6
162.83466	1.0
243.08669	15.3
265.25256	6.7
373.27542	8.6
391.28262	10.7
409.29239	6.3
471.30939	6.7
489.32108	17.4
507.33032	24.7
525.33911	6.2
560.42560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.3
60.40830	8.1
66.33324	6.0
67.05508	39.3
69.03427	25.1
69.07068	13.7
81.03413	13.1
81.07072	63.8
83.04976	17.1
85.02906	29.2
90.27819	6.7
91.05474	10.2
93.07024	30.9
95.08591	57.6
105.07030	11.3
107.08593	13.4
109.02883	11.2
109.10177	16.6
119.08584	13.7
121.06539	9.4
121.10171	9.9
125.09654	7.4
131.08531	10.4
133.10083	13.4
135.11708	10.8
143.08661	7.0
161.56522	8.2
163.14726	8.8
175.14725	8.3
188.20219	8.0
200.15276	8.4
270.20734	7.8
291.87482	7.4
320.09189	100.0
346.38431	7.3
371.25714	15.1
389.26855	40.6
407.27866	61.2
425.28925	14.1
460.97110	7.7
560.29773	15.8
560.47400	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92796	1.9
55.05518	27.5
58.91112	2.9
61.62296	1.9
64.88840	2.0
65.99960	2.1
67.05505	4.4
69.07059	4.2
80.14627	2.2
81.07061	11.5
83.04990	100.0
83.08620	3.3
91.05496	3.5
93.07040	2.8
95.08613	12.8
107.08596	4.0
109.10132	4.5
119.08558	2.9
121.06493	4.0
121.10149	4.6
123.11688	4.9
125.74002	2.3
131.98328	2.2
133.10077	3.9
161.13278	3.3
194.33296	2.6
213.70915	3.1
266.13379	2.4
293.88000	2.6
345.27899	5.6
363.29001	34.3
402.15552	2.7
562.06384	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45918	5.0
50.59610	4.7
55.05505	9.2
55.42537	4.5
56.22515	4.6
67.05502	26.6
69.03421	11.7
69.07089	7.4
71.14362	5.7
79.05491	8.4
81.03423	34.3
81.07064	52.2
83.08611	7.6
85.02903	14.6
91.05505	7.0
93.07023	28.1
95.08607	32.0
97.02901	9.7
97.17448	5.3
101.06013	32.2
105.07046	7.5
109.10142	24.1
119.08551	13.3
121.10143	8.4
135.11719	8.4
149.13373	6.5
150.10490	6.1
154.17670	5.6
155.08517	6.7
175.14903	7.0
177.87640	5.9
180.83284	5.8
281.15405	12.2
288.34753	6.7
292.09698	9.2
320.09192	100.0
329.82806	5.7
371.25684	13.7
389.26996	47.6
407.27533	43.8
425.29309	9.9
560.29926	8.9
560.41016	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.92869	0.4
67.05490	0.8
69.07063	1.5
70.06574	0.4
81.07037	2.3
83.08595	0.8
95.08612	1.9
97.10140	0.5
106.30755	0.4
107.70834	0.4
109.10163	1.6
118.81895	0.4
121.10112	0.5
160.06187	10.5
213.33694	0.4
220.21797	0.5
244.87010	0.4
246.23218	0.5
263.23703	1.0
264.23984	0.7
280.26337	0.6
281.26700	0.8
410.32706	0.8
428.33847	100.0
560.38043	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81247	0.5
60.56689	0.5
64.39252	0.6
66.86156	0.6
70.09071	0.6
74.92759	0.6
80.44018	0.6
80.48274	0.7
143.01875	1.1
180.97475	11.8
185.02945	0.9
188.69109	0.7
190.97874	0.7
198.98531	100.0
210.98524	2.9
213.00035	0.9
216.99577	24.7
222.98491	1.1
225.00146	1.1
228.99611	14.6
234.98503	2.5
240.99568	23.4
245.05077	8.4
247.00659	0.9
252.99646	1.1
259.00549	6.3
271.00775	0.9
283.00598	15.4
294.64377	0.7
301.01724	15.8
304.25836	0.7
319.02673	3.6
353.29520	0.8
463.06946	66.8
481.07901	3.8
561.04175	1.1
561.12140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81247	0.5
60.56689	0.5
64.39252	0.6
66.86156	0.6
70.09071	0.6
74.92759	0.6
80.44018	0.6
80.48274	0.7
143.01875	1.1
180.97475	11.8
185.02945	0.9
188.69109	0.7
190.97874	0.7
198.98531	100.0
210.98524	2.9
213.00035	0.9
216.99577	24.7
222.98491	1.1
225.00146	1.1
228.99611	14.6
234.98503	2.5
240.99568	23.4
245.05077	8.4
247.00659	0.9
252.99646	1.1
259.00549	6.3
271.00775	0.9
283.00598	15.4
294.64377	0.7
301.01724	15.8
304.25836	0.7
319.02673	3.6
353.29520	0.8
463.06946	66.8
481.07901	3.8
561.04175	1.1
561.12140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01880	5.1
55.05507	4.1
56.52225	1.9
57.03444	4.7
57.07095	2.1
67.05504	26.6
69.03441	16.4
69.07065	5.1
71.05013	2.4
73.02912	17.2
79.05508	18.2
81.03445	5.6
81.07064	28.1
83.05009	2.2
83.08629	3.8
85.02914	14.9
86.44984	2.4
91.05491	4.9
93.07043	21.0
95.08611	23.1
97.02859	4.3
99.04455	15.8
105.07043	9.3
107.08584	11.3
109.02870	27.5
109.10162	12.2
111.04439	25.2
119.08573	3.2
121.10150	11.3
123.11709	2.5
127.03948	13.6
131.08574	4.0
132.99559	11.2
133.10129	5.1
135.11685	3.8
145.10115	3.9
149.13255	2.9
159.11746	2.5
161.13341	2.6
173.13309	3.5
191.00017	8.1
261.22076	4.5
318.18677	2.5
335.25711	5.2
348.11880	2.6
561.27301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.9
56.33291	2.7
56.75829	2.4
57.03437	3.0
57.07083	6.9
67.05508	59.3
69.03431	3.6
69.07057	18.9
70.07630	3.6
70.32806	3.3
73.38922	2.8
75.03098	3.1
79.05486	12.8
81.03416	27.1
81.07052	75.9
81.69396	3.0
83.08614	14.4
91.05472	17.1
93.07022	15.7
95.08600	73.3
98.98463	84.6
99.04424	5.7
101.85686	3.2
105.07034	5.4
107.08569	15.0
109.02879	16.3
109.10166	26.0
119.08586	15.0
121.10146	14.7
123.11726	6.3
133.10152	8.0
135.11688	5.9
148.67693	3.5
149.13257	4.3
155.01035	81.5
161.13211	4.3
177.34299	3.7
225.01474	4.5
245.22552	6.9
263.23801	7.4
283.93512	3.4
333.95117	3.6
337.27316	100.0
365.30750	3.5
439.68314	3.8
561.19989	6.0
561.28107	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3035
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
51.77921	0.3
58.80463	0.4
64.30340	0.3
64.48158	0.4
65.89079	0.3
66.04088	0.4
67.05503	1.0
68.18807	0.3
69.07054	0.8
73.82395	0.4
79.05502	0.7
81.07069	2.7
85.02905	0.8
91.59479	0.4
91.82460	0.3
92.21288	0.8
93.07060	0.9
95.08608	1.0
99.04471	2.5
102.32174	0.4
107.08585	0.6
109.10098	0.5
119.08553	0.6
121.06483	3.4
121.10156	0.6
135.11702	0.5
147.11705	0.4
148.79999	0.4
163.31244	0.4
165.51221	0.4
171.11728	0.5
172.56668	0.5
188.05415	0.4
190.80498	0.4
260.00400	0.5
268.13019	0.4
327.53430	0.5
362.58594	0.5
394.53412	0.5
543.35510	0.8
561.30316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.59396	0.5
64.38605	0.4
67.05502	0.8
79.05508	0.6
81.03403	0.7
81.07059	2.3
83.08607	0.5
85.02893	0.6
86.78571	0.4
91.05476	0.8
93.07036	2.3
93.86759	0.4
94.07358	0.6
95.08588	1.8
97.02847	0.4
99.04457	1.1
105.07002	0.9
107.04963	0.4
107.08562	0.9
121.05619	0.8
121.06502	16.8
121.10070	0.5
122.06824	6.4
133.10007	0.5
133.62622	0.4
150.09120	0.6
152.86201	0.5
295.44690	0.5
525.33496	0.5
543.34985	7.3
561.30182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
63.64841	0.7
65.22231	0.6
65.47145	0.7
67.05503	0.8
69.07082	3.0
71.08640	0.7
81.07051	1.5
83.08643	1.4
89.03891	1.1
93.07072	1.0
95.08624	3.0
97.10160	1.4
107.08572	0.9
117.03345	3.6
119.60417	0.6
129.47571	0.7
145.01697	1.4
145.02846	39.6
149.05991	1.3
151.27907	0.9
170.93054	0.7
176.97858	0.8
177.05469	100.0
195.06602	0.8
340.18689	1.0
518.56488	0.8
561.25507	3.9
561.37769	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	1.6
69.07100	2.3
79.03662	1.2
81.07061	3.1
87.13778	1.2
90.77243	1.2
95.08643	2.9
105.07072	1.5
109.10191	2.0
115.57516	1.3
121.10158	1.5
133.10167	2.6
186.84656	1.3
207.04356	1.4
291.19324	15.8
293.21021	8.0
317.19186	5.1
322.73016	1.5
323.16632	1.7
437.23285	12.3
561.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81133	0.3
54.61032	0.3
57.16100	0.3
62.04108	0.3
83.24934	0.4
102.54968	0.3
112.99986	0.3
141.68924	0.3
144.72488	0.4
154.74222	0.4
156.43181	0.4
419.01663	0.3
526.40051	0.4
561.41248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46339	1.5
53.89226	1.1
57.07056	1.6
59.22422	1.4
65.99924	1.6
67.05486	2.4
76.27560	1.5
81.07059	2.4
88.26295	1.6
93.07005	2.1
95.08593	1.8
99.03873	2.2
99.04465	16.8
100.04801	2.0
109.10171	1.7
135.11719	1.7
286.52533	1.7
291.19330	10.7
342.49326	1.7
411.78214	1.6
432.42938	2.0
490.32541	3.4
508.33441	2.5
561.41113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.1
57.07078	6.2
67.05505	18.7
69.07059	9.3
71.08630	4.6
79.05498	2.5
81.07059	22.2
83.08620	9.0
85.10153	0.9
87.28628	0.9
91.05492	2.4
93.07048	5.7
95.08599	25.4
97.06561	1.7
97.10193	5.6
100.48792	1.0
101.41413	1.0
105.07056	2.1
107.08594	6.5
109.06483	1.2
109.10158	13.7
112.37369	0.9
117.06997	1.2
119.08601	3.8
121.10124	8.7
123.11721	4.9
131.08560	2.1
133.10150	4.2
135.11732	5.1
137.13315	1.6
141.12756	1.2
145.10104	1.5
147.11659	1.5
149.09703	1.2
149.13298	5.4
159.11708	1.6
163.11209	1.1
173.13318	3.7
185.13200	1.4
195.13843	1.5
278.91962	1.1
543.47803	1.3
561.48816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4875
Annotation	2-methylbacteriohopanetetrol
Peak:m/z	Relative Intensity
55.05523	4.1
57.07078	6.2
67.05505	18.7
69.07059	9.3
71.08630	4.6
79.05498	2.5
81.07059	22.2
83.08620	9.0
85.10153	0.9
87.28628	0.9
91.05492	2.4
93.07048	5.7
95.08599	25.4
97.06561	1.7
97.10193	5.6
100.48792	1.0
101.41413	1.0
105.07056	2.1
107.08594	6.5
109.06483	1.2
109.10158	13.7
112.37369	0.9
117.06997	1.2
119.08601	3.8
121.10124	8.7
123.11721	4.9
131.08560	2.1
133.10150	4.2
135.11732	5.1
137.13315	1.6
141.12756	1.2
145.10104	1.5
147.11659	1.5
149.09703	1.2
149.13298	5.4
159.11708	1.6
163.11209	1.1
173.13318	3.7
185.13200	1.4
195.13843	1.5
278.91962	1.1
543.47803	1.3
561.48816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03747	0.8
62.07777	0.8
63.64257	1.1
88.88555	0.8
92.21525	2.0
96.77202	1.1
99.04449	7.0
106.53354	0.9
107.08601	2.0
121.10125	0.9
151.03903	2.2
163.03903	1.3
165.05441	6.0
166.15996	0.9
172.03894	10.7
174.05493	4.7
187.06264	7.7
190.04984	97.4
207.13803	4.8
218.04456	4.1
299.09143	2.0
299.95010	1.0
306.07620	1.7
308.08987	1.5
318.07813	2.7
319.08319	8.5
320.05667	2.0
320.09006	13.5
321.09479	4.1
334.07144	2.0
334.10571	8.8
335.11041	2.3
336.12329	5.8
337.12796	1.4
349.05795	1.2
350.06470	1.9
364.08188	14.7
396.08591	1.5
410.06110	1.3
424.07852	4.6
425.08765	8.9
427.06985	2.0
438.09610	2.1
440.06885	1.5
442.09232	28.9
455.09842	1.7
456.10614	2.1
457.11423	4.1
464.20413	5.0
500.13254	5.3
526.11194	1.5
544.12366	100.0
562.21387	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61452	0.7
62.68691	0.7
68.76352	0.8
86.16253	0.7
87.56747	0.7
95.52640	0.6
98.85489	0.8
158.04230	0.8
165.05374	1.1
167.07005	6.0
180.07797	5.3
189.07761	0.9
224.06796	9.6
251.13719	0.8
266.07953	3.3
280.06030	6.7
280.08768	0.7
290.07980	1.0
292.09457	1.2
295.05203	1.0
295.08389	28.4
304.05899	1.2
306.07230	1.0
308.09058	6.7
309.09763	1.5
310.10727	38.2
310.14279	1.4
318.07443	3.3
319.08420	5.4
320.05542	1.1
320.09149	28.4
321.09698	2.7
322.10315	1.8
324.08536	5.6
324.12125	3.4
325.09314	1.1
334.10669	11.0
335.11313	1.0
336.05035	0.9
336.08444	5.9
336.12140	8.9
337.08704	1.1
337.12604	1.2
352.11371	0.9
352.15314	1.8
470.12085	1.4
488.13403	23.4
503.15164	4.9
514.11267	12.5
529.13080	2.9
532.12476	9.5
544.19421	1.0
547.14795	6.6
562.16895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61452	0.7
62.68691	0.7
68.76352	0.8
86.16253	0.7
87.56747	0.7
95.52640	0.6
98.85489	0.8
158.04230	0.8
165.05374	1.1
167.07005	6.0
180.07797	5.3
189.07761	0.9
224.06796	9.6
251.13719	0.8
266.07953	3.3
280.06030	6.7
280.08768	0.7
290.07980	1.0
292.09457	1.2
295.05203	1.0
295.08389	28.4
304.05899	1.2
306.07230	1.0
308.09058	6.7
309.09763	1.5
310.10727	38.2
310.14279	1.4
318.07443	3.3
319.08420	5.4
320.05542	1.1
320.09149	28.4
321.09698	2.7
322.10315	1.8
324.08536	5.6
324.12125	3.4
325.09314	1.1
334.10669	11.0
335.11313	1.0
336.05035	0.9
336.08444	5.9
336.12140	8.9
337.08704	1.1
337.12604	1.2
352.11371	0.9
352.15314	1.8
470.12085	1.4
488.13403	23.4
503.15164	4.9
514.11267	12.5
529.13080	2.9
532.12476	9.5
544.19421	1.0
547.14795	6.6
562.16895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61452	0.7
62.68691	0.7
68.76352	0.8
86.16253	0.7
87.56747	0.7
95.52640	0.6
98.85489	0.8
158.04230	0.8
165.05374	1.1
167.07005	6.0
180.07797	5.3
189.07761	0.9
224.06796	9.6
251.13719	0.8
266.07953	3.3
280.06030	6.7
280.08768	0.7
290.07980	1.0
292.09457	1.2
295.05203	1.0
295.08389	28.4
304.05899	1.2
306.07230	1.0
308.09058	6.7
309.09763	1.5
310.10727	38.2
310.14279	1.4
318.07443	3.3
319.08420	5.4
320.05542	1.1
320.09149	28.4
321.09698	2.7
322.10315	1.8
324.08536	5.6
324.12125	3.4
325.09314	1.1
334.10669	11.0
335.11313	1.0
336.05035	0.9
336.08444	5.9
336.12140	8.9
337.08704	1.1
337.12604	1.2
352.11371	0.9
352.15314	1.8
470.12085	1.4
488.13403	23.4
503.15164	4.9
514.11267	12.5
529.13080	2.9
532.12476	9.5
544.19421	1.0
547.14795	6.6
562.16895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73333	0.2
56.62785	0.2
57.03411	0.4
61.79105	0.2
67.51034	0.2
69.03443	2.5
70.06561	0.3
71.56705	0.2
77.21179	0.2
79.01807	0.3
85.02901	2.3
87.04489	1.6
97.02900	1.7
115.03928	0.5
140.69980	0.2
156.04463	0.6
174.05513	7.4
176.69160	0.2
182.90100	0.2
184.06001	0.2
185.46805	0.2
209.22498	0.3
268.09680	100.0
310.10864	0.4
355.10513	0.3
400.13647	0.3
430.14954	20.5
472.15985	0.3
562.19196	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73333	0.2
56.62785	0.2
57.03411	0.4
61.79105	0.2
67.51034	0.2
69.03443	2.5
70.06561	0.3
71.56705	0.2
77.21179	0.2
79.01807	0.3
85.02901	2.3
87.04489	1.6
97.02900	1.7
115.03928	0.5
140.69980	0.2
156.04463	0.6
174.05513	7.4
176.69160	0.2
182.90100	0.2
184.06001	0.2
185.46805	0.2
209.22498	0.3
268.09680	100.0
310.10864	0.4
355.10513	0.3
400.13647	0.3
430.14954	20.5
472.15985	0.3
562.19196	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92064	1.1
58.06597	1.4
79.96225	1.0
80.26817	1.1
80.96046	1.2
81.03427	1.3
86.06061	1.6
86.09701	2.0
91.57887	1.1
97.02901	1.4
98.06076	1.3
99.04472	1.3
112.78134	1.1
121.02819	1.3
134.01959	1.1
144.08063	1.8
145.02841	1.7
147.04425	7.3
148.07588	12.1
162.09187	5.8
164.07045	4.8
176.07178	1.7
177.05403	8.3
178.08611	1.5
263.09485	1.7
264.06540	2.3
264.10187	1.5
278.08148	1.9
290.08191	2.4
292.06097	13.8
292.09439	1.7
293.10486	1.8
294.07709	4.5
294.11188	2.3
307.08377	99.3
308.09152	17.7
309.09976	8.6
310.10718	4.8
322.10733	91.1
323.11609	5.3
338.10336	4.4
340.11783	100.0
356.15128	2.0
382.12857	31.3
400.13901	22.2
442.14722	2.5
484.16022	17.1
502.17209	7.0
544.17889	8.2
562.19141	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25520	0.6
56.75681	0.6
61.73747	0.6
63.67174	0.6
66.56290	0.5
69.28117	0.6
76.38013	0.6
91.66395	0.6
127.03911	4.1
142.45209	0.6
159.62495	0.8
221.34120	0.8
304.09744	0.7
306.11246	1.3
307.11957	8.2
320.09167	3.0
322.10645	3.0
323.11450	2.9
336.12289	13.7
337.13025	4.6
338.13849	100.0
359.68680	0.7
372.08914	1.4
407.02316	0.6
464.16974	12.6
470.19409	1.4
498.19189	1.0
516.20532	0.8
534.21075	1.5
562.20691	28.5
562.28308	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94564	0.6
55.25474	0.5
59.42593	0.6
60.10583	0.6
62.09479	0.6
71.05024	1.0
73.18763	0.8
79.33795	0.7
81.07085	1.1
85.62518	0.6
91.05429	0.8
93.07093	0.9
119.04934	1.3
135.11710	3.3
147.04416	1.6
152.19357	0.7
153.12744	11.4
170.96176	0.8
175.03975	3.4
176.04292	2.7
179.73367	0.8
207.06616	4.4
208.07007	2.8
209.07167	1.6
290.08127	1.1
292.09830	3.7
293.10269	2.8
294.11310	3.0
304.06064	1.4
307.08389	1.2
307.12222	3.3
308.09418	1.1
308.12943	5.7
318.07724	3.1
319.08359	9.8
320.09262	10.0
320.12518	1.6
321.09921	11.9
321.13406	0.8
322.10614	7.9
323.11328	4.1
334.10767	12.8
335.11252	0.8
336.12302	100.0
337.12988	14.0
338.13312	7.2
350.13940	1.0
352.15515	1.3
394.78146	0.9
488.17490	0.7
502.15097	1.6
516.16864	3.4
517.17603	2.9
532.19830	7.2
562.20856	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60224	0.5
60.28346	0.5
70.10348	0.5
84.24012	0.5
85.30453	0.5
93.97799	0.5
97.62954	0.6
169.76584	0.6
195.19815	0.6
233.75708	0.6
253.10928	0.8
256.13116	0.6
280.09808	4.4
281.10480	6.7
293.10602	0.9
308.09164	6.9
309.09903	14.0
310.76880	0.5
318.07706	0.7
319.08444	3.0
320.09085	4.0
321.10034	2.9
322.07220	2.4
324.12305	100.0
334.10690	6.4
336.08591	3.3
336.12390	10.0
337.09442	6.4
337.12909	1.2
338.13849	2.5
352.11765	40.0
470.12152	0.9
484.13937	0.9
500.17117	3.8
504.16446	0.6
518.18219	3.8
528.16327	0.8
530.17761	1.1
532.16058	4.9
544.16254	3.0
546.17609	5.1
547.18506	1.3
562.20734	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95920	0.3
53.49414	0.3
75.23058	0.4
81.06995	2.5
85.33743	0.4
95.08531	0.4
99.04419	0.4
117.73799	0.4
118.69720	0.4
133.09961	0.4
137.05873	0.4
141.38799	0.4
181.04941	0.4
191.10551	0.5
205.12204	0.6
233.13280	0.6
233.15373	10.4
240.29843	0.4
263.09372	0.6
276.10013	0.5
277.59833	0.5
290.08005	0.4
291.09012	0.5
291.12256	0.5
292.09692	3.7
293.10510	3.1
294.11212	2.0
304.09500	0.5
307.11932	2.7
308.09149	1.8
308.12808	8.0
319.27759	0.4
320.09161	8.1
320.12863	3.1
321.09955	12.9
322.10760	6.7
323.11432	3.3
334.10706	1.8
335.11334	0.9
336.12299	100.0
337.13065	9.9
338.13895	3.3
350.13730	0.8
399.35345	0.4
488.16989	2.3
500.16891	0.7
502.15070	2.3
516.16339	4.3
517.17511	3.5
532.20032	6.4
546.17383	0.8
562.20819	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94564	0.6
55.25474	0.5
59.42593	0.6
60.10583	0.6
62.09479	0.6
71.05024	1.0
73.18763	0.8
79.33795	0.7
81.07085	1.1
85.62518	0.6
91.05429	0.8
93.07093	0.9
119.04934	1.3
135.11710	3.3
147.04416	1.6
152.19357	0.7
153.12744	11.4
170.96176	0.8
175.03975	3.4
176.04292	2.7
179.73367	0.8
207.06616	4.4
208.07007	2.8
209.07167	1.6
290.08127	1.1
292.09830	3.7
293.10269	2.8
294.11310	3.0
304.06064	1.4
307.08389	1.2
307.12222	3.3
308.09418	1.1
308.12943	5.7
318.07724	3.1
319.08359	9.8
320.09262	10.0
320.12518	1.6
321.09921	11.9
321.13406	0.8
322.10614	7.9
323.11328	4.1
334.10767	12.8
335.11252	0.8
336.12302	100.0
337.12988	14.0
338.13312	7.2
350.13940	1.0
352.15515	1.3
394.78146	0.9
488.17490	0.7
502.15097	1.6
516.16864	3.4
517.17603	2.9
532.19830	7.2
562.20856	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29509	0.3
65.42938	0.3
78.65836	0.3
83.04818	0.3
90.69009	0.4
145.76784	0.3
148.15976	0.4
154.81563	0.3
165.37704	0.3
192.10097	2.1
276.12076	0.4
308.09119	2.7
309.09937	3.8
319.08389	1.4
320.09256	3.0
322.10657	0.5
324.12277	35.0
334.10736	2.6
336.08701	2.3
336.12305	0.6
337.09372	2.4
338.10196	1.4
338.14001	0.5
346.88504	0.4
350.13812	0.6
352.11777	100.0
437.95285	0.4
562.20721	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14793	0.9
52.48203	1.0
69.36719	1.1
158.81448	1.3
174.05582	5.8
175.26308	1.6
198.74005	1.2
209.06053	1.2
254.11937	2.2
268.13361	7.2
296.16544	1.5
298.10843	1.9
332.09180	2.2
333.10117	1.5
334.10800	1.4
337.09427	2.0
346.10718	11.4
350.10446	1.6
351.10898	1.4
352.11761	4.9
362.10062	2.3
364.08212	2.2
376.07950	2.1
378.13422	6.9
380.11316	44.2
380.15991	2.3
390.17181	7.3
391.14337	2.0
404.11212	23.8
404.15417	1.5
407.10056	11.7
408.18088	23.1
416.10980	1.6
417.12204	6.7
420.18121	5.9
436.17502	18.0
446.16022	21.6
464.17081	89.1
562.20758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94564	0.6
55.25474	0.5
59.42593	0.6
60.10583	0.6
62.09479	0.6
71.05024	1.0
73.18763	0.8
79.33795	0.7
81.07085	1.1
85.62518	0.6
91.05429	0.8
93.07093	0.9
119.04934	1.3
135.11710	3.3
147.04416	1.6
152.19357	0.7
153.12744	11.4
170.96176	0.8
175.03975	3.4
176.04292	2.7
179.73367	0.8
207.06616	4.4
208.07007	2.8
209.07167	1.6
290.08127	1.1
292.09830	3.7
293.10269	2.8
294.11310	3.0
304.06064	1.4
307.08389	1.2
307.12222	3.3
308.09418	1.1
308.12943	5.7
318.07724	3.1
319.08359	9.8
320.09262	10.0
320.12518	1.6
321.09921	11.9
321.13406	0.8
322.10614	7.9
323.11328	4.1
334.10767	12.8
335.11252	0.8
336.12302	100.0
337.12988	14.0
338.13312	7.2
350.13940	1.0
352.15515	1.3
394.78146	0.9
488.17490	0.7
502.15097	1.6
516.16864	3.4
517.17603	2.9
532.19830	7.2
562.20856	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88833	0.4
59.82756	0.4
60.69096	0.5
62.40377	0.4
74.79039	0.4
78.10146	0.4
80.22656	0.5
86.09677	0.4
97.02850	0.6
102.11034	0.6
188.09114	0.6
198.33444	0.5
234.09636	0.9
280.09744	3.8
281.10422	10.8
291.55453	0.5
292.09744	2.7
293.09860	0.6
294.07559	3.5
307.12042	0.9
308.09320	4.2
309.09940	25.0
316.32281	0.5
319.08182	1.2
320.09164	8.6
321.09918	4.2
322.10196	3.7
323.10614	3.3
324.12289	100.0
334.10791	3.8
335.11264	0.7
336.12244	10.5
337.12778	7.5
338.12991	8.7
352.11810	22.5
366.09598	0.6
544.19049	0.9
556.16302	0.6
562.20746	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11032	0.6
77.51981	0.8
81.43842	0.6
84.46550	0.6
98.03607	0.7
280.09778	3.4
281.10278	6.7
294.07797	1.3
308.06085	1.1
308.09128	8.1
309.09933	14.8
318.07669	0.9
319.08322	1.5
320.09189	19.2
320.12759	1.2
321.09671	3.3
322.06989	1.3
324.12277	100.0
325.83224	0.8
334.10657	5.1
336.08612	3.4
336.12402	6.0
337.09491	6.3
337.13077	1.4
338.13708	1.6
352.11801	39.0
459.11490	0.8
518.18030	2.7
532.16028	5.2
546.17499	5.3
547.18256	1.6
562.20703	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
73.87163	1.3
86.67474	1.3
96.53194	1.3
101.77683	1.3
102.00729	1.2
103.14628	1.3
106.03696	1.5
141.96344	1.5
144.67523	1.5
159.50327	1.6
194.76805	1.5
280.09784	2.0
281.10431	3.2
290.08087	8.5
292.09610	5.4
294.07578	3.1
304.05957	7.1
308.09125	5.9
309.09998	12.7
316.69635	1.5
318.07639	7.8
319.08417	24.6
320.09171	81.6
321.09573	6.8
322.10620	2.4
324.12283	85.8
334.10706	40.8
335.11179	2.2
336.08643	4.5
336.12189	24.0
337.09451	3.0
352.11823	34.3
464.20807	1.8
488.13605	2.8
518.17999	2.6
532.16290	2.2
546.17700	2.4
547.17371	1.7
562.20764	100.0
562.69073	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29509	0.3
65.42938	0.3
78.65836	0.3
83.04818	0.3
90.69009	0.4
145.76784	0.3
148.15976	0.4
154.81563	0.3
165.37704	0.3
192.10097	2.1
276.12076	0.4
308.09119	2.7
309.09937	3.8
319.08389	1.4
320.09256	3.0
322.10657	0.5
324.12277	35.0
334.10736	2.6
336.08701	2.3
336.12305	0.6
337.09372	2.4
338.10196	1.4
338.14001	0.5
346.88504	0.4
350.13812	0.6
352.11777	100.0
437.95285	0.4
562.20721	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06716	0.3
51.86139	0.3
58.45132	0.3
67.16904	0.3
72.10746	0.3
88.25892	0.3
88.64290	0.4
95.58192	0.4
128.35309	0.4
280.09766	0.5
290.08286	0.5
292.09521	0.5
294.11295	14.2
304.06009	0.6
306.11298	3.0
308.09143	5.9
309.09778	0.4
318.07574	1.4
319.08371	4.6
320.09152	7.1
321.09491	1.5
322.10727	17.6
323.11493	37.3
334.10782	7.2
335.11310	0.9
336.12305	5.3
338.13843	100.0
562.20264	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75188	0.3
55.01871	0.3
57.02283	0.3
58.06599	1.3
58.58137	0.3
60.04531	0.3
69.03414	0.4
70.06593	0.8
70.17649	0.3
71.04956	0.4
72.08160	0.4
75.01416	0.3
81.03422	1.8
85.02908	1.4
91.05477	0.7
93.07041	2.3
95.04956	1.5
95.06056	0.4
96.04459	0.4
97.02895	3.6
98.06058	0.6
99.04456	4.4
103.05463	1.4
107.04964	4.0
108.04478	2.1
114.43117	0.4
115.03901	0.4
119.04981	0.5
121.06503	100.0
122.06026	8.9
126.05500	2.9
127.03922	0.7
133.06461	0.4
138.09157	0.5
140.12498	0.4
144.06538	3.1
145.04945	0.6
147.04411	11.3
148.07599	2.2
150.09126	1.4
158.08081	0.4
162.07643	3.2
162.08853	0.5
163.03886	0.6
165.05486	2.1
178.08582	0.5
180.10254	0.4
228.10266	0.5
246.11327	3.5
264.12265	4.9
282.13345	11.4
304.02808	0.4
354.20313	0.4
362.15762	0.4
398.23279	0.5
526.20667	7.4
529.98077	0.4
544.21771	21.2
544.29840	0.9
548.82471	0.4
562.22870	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10205	0.2
120.40187	0.2
132.72562	0.3
168.92577	0.3
175.77182	0.3
188.29555	0.3
283.59103	0.3
290.08282	0.3
291.12537	0.5
292.09644	0.6
294.11188	0.3
304.06042	0.5
304.09320	0.3
306.07562	0.4
308.09119	0.5
308.12781	12.6
318.07657	0.4
319.08469	2.9
320.09137	2.3
320.12909	2.5
321.09662	1.1
322.10672	7.6
323.11417	0.4
332.09195	1.9
334.10675	6.0
335.11224	0.5
336.12289	20.1
337.13062	31.9
344.09250	0.4
352.15421	100.0
518.21783	2.4
530.17670	0.4
544.19635	2.6
562.20135	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16664	0.4
55.98569	0.4
61.99435	0.4
240.10739	0.5
278.07971	0.9
292.09659	9.1
304.09641	0.9
306.07471	3.6
314.15195	0.5
320.09155	17.7
321.09955	29.5
334.10547	0.8
336.12292	100.0
337.12851	0.6
406.07465	0.5
532.15503	0.6
551.65985	0.5
562.24396	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73226	0.3
66.49601	0.3
81.03381	0.4
82.71980	0.3
83.08621	0.3
85.96573	0.4
90.55400	0.3
99.04491	0.4
102.79613	0.4
105.99672	0.3
107.18895	0.4
138.35091	0.4
160.52507	0.4
174.48767	0.4
292.09589	3.6
318.07602	0.8
320.09161	100.0
321.09561	0.5
322.10797	0.6
334.10666	0.5
336.12323	4.0
365.23096	0.8
562.24310	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17809	0.3
51.72087	0.3
55.42730	0.3
90.26629	0.4
91.64202	0.4
109.77142	0.4
185.29340	0.4
262.95572	0.4
289.10883	0.4
308.09479	0.7
308.12787	13.9
320.09119	3.0
320.12787	2.7
321.09592	0.8
322.10681	7.2
334.10696	1.8
336.12296	21.6
337.13046	35.1
352.15421	100.0
488.17178	0.5
562.16028	2.3
562.24927	8.7
567.39832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86370	0.2
56.81929	0.3
60.61564	0.2
77.78429	0.2
77.91689	0.3
80.28052	0.3
103.93973	0.3
104.67890	0.3
105.64715	0.3
149.71512	0.3
190.04970	4.5
290.08087	0.4
292.09668	1.7
306.07816	0.4
307.08380	0.4
308.12756	1.2
319.08328	2.0
320.09125	11.3
321.09973	4.7
322.10352	0.4
323.11383	0.4
334.10699	3.8
335.10995	0.5
336.12274	100.0
404.86618	0.3
499.50940	0.4
562.16510	1.7
562.24408	43.3
574.17908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20793	0.3
53.29979	0.3
57.47330	0.4
66.82936	0.3
70.24081	0.4
77.28355	0.5
90.04936	0.3
111.89713	0.4
112.26301	0.3
131.78889	0.4
138.47592	0.3
175.19795	0.4
206.42900	0.4
292.09686	7.6
304.09741	1.5
306.07587	2.0
320.09195	11.3
321.06119	0.7
321.09961	29.9
336.12296	100.0
429.65341	0.4
562.24359	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99638	0.6
51.88537	0.7
57.30823	0.7
66.97418	0.7
92.21561	1.0
119.08546	1.2
120.56619	0.8
292.09674	3.8
304.09952	1.2
320.09186	13.0
321.09933	14.7
322.10907	1.1
336.12283	43.7
344.09644	1.2
346.07159	2.9
348.08514	8.2
348.12299	4.4
358.10828	5.5
361.09421	4.4
362.10263	5.4
376.11768	67.6
532.19745	6.1
562.24188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28099	0.3
65.65810	0.3
99.04443	0.4
121.34701	0.4
153.39909	0.4
176.06984	0.6
189.75998	0.4
266.02252	0.4
278.08371	0.4
290.07986	0.5
292.09662	5.2
306.07587	1.8
307.08243	0.6
308.12811	0.5
319.08340	0.8
320.09174	27.9
321.09903	14.9
322.10236	0.8
323.11356	0.5
324.06808	3.0
334.07050	1.5
334.10733	2.2
336.12289	100.0
337.12701	0.5
338.13828	0.7
352.06476	3.1
419.10104	1.5
562.16846	1.8
562.24475	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17809	0.3
51.72087	0.3
55.42730	0.3
90.26629	0.4
91.64202	0.4
109.77142	0.4
185.29340	0.4
262.95572	0.4
289.10883	0.4
308.09479	0.7
308.12787	13.9
320.09119	3.0
320.12787	2.7
321.09592	0.8
322.10681	7.2
334.10696	1.8
336.12296	21.6
337.13046	35.1
352.15421	100.0
488.17178	0.5
562.16028	2.3
562.24927	8.7
567.39832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
69.03413	1.7
71.04990	5.8
72.19757	0.9
80.28893	0.9
81.03412	7.5
83.04980	6.8
85.02907	7.5
97.02891	4.7
99.04458	100.0
101.06009	24.8
103.05479	3.8
107.04923	2.3
109.02866	1.2
117.05473	16.0
120.08102	95.6
121.06474	4.0
127.03915	5.9
131.04947	4.1
133.04945	0.8
137.08073	15.5
138.09140	1.1
139.96042	0.9
157.40152	0.9
161.26945	1.0
166.08615	33.4
166.92447	1.0
176.07065	1.1
261.09747	17.5
272.48227	1.1
281.12189	1.7
286.09863	1.0
301.77039	1.1
379.15927	6.7
397.16925	1.7
562.21088	6.4
573.65424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
69.03413	1.7
71.04990	5.8
72.19757	0.9
80.28893	0.9
81.03412	7.5
83.04980	6.8
85.02907	7.5
97.02891	4.7
99.04458	100.0
101.06009	24.8
103.05479	3.8
107.04923	2.3
109.02866	1.2
117.05473	16.0
120.08102	95.6
121.06474	4.0
127.03915	5.9
131.04947	4.1
133.04945	0.8
137.08073	15.5
138.09140	1.1
139.96042	0.9
157.40152	0.9
161.26945	1.0
166.08615	33.4
166.92447	1.0
176.07065	1.1
261.09747	17.5
272.48227	1.1
281.12189	1.7
286.09863	1.0
301.77039	1.1
379.15927	6.7
397.16925	1.7
562.21088	6.4
573.65424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.03446	1.4
59.89842	0.6
63.54248	0.6
65.32726	0.6
67.05513	1.1
67.12638	0.6
68.50276	0.7
69.07063	1.4
72.49182	0.6
73.02911	3.7
73.20108	0.6
79.05494	0.9
81.07055	10.3
85.02904	1.5
91.05460	3.3
92.20882	1.2
93.07038	3.6
95.08617	5.0
97.02896	2.7
99.04443	9.6
105.07026	3.1
107.08585	1.8
109.10157	1.6
113.06000	1.4
115.03952	1.2
119.08593	7.0
121.10133	4.0
133.10159	6.0
135.11659	10.5
137.05992	0.7
138.16165	0.7
145.05148	0.7
145.10150	1.2
147.11678	5.8
149.05994	1.0
153.09091	3.2
154.59471	0.7
159.11707	0.8
161.13234	1.3
163.07574	0.9
164.83066	0.8
165.09152	1.5
171.11649	0.8
173.09674	0.7
177.09091	1.6
187.14815	3.1
189.16400	2.5
191.10637	8.1
201.58472	0.7
205.12221	10.0
215.14311	7.9
217.85451	0.6
233.15359	100.0
263.42291	0.8
294.11349	5.5
308.09274	1.0
319.08359	1.7
320.09207	6.6
322.10693	5.3
323.11502	15.8
334.07208	0.8
334.10739	4.6
335.10986	0.8
336.12082	1.2
338.13867	37.3
395.20599	1.3
562.17529	5.7
562.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
56.69721	1.6
67.05503	9.6
69.03423	2.6
69.07069	16.8
74.58528	1.5
79.05504	8.6
80.91016	1.7
81.03429	2.0
81.07059	13.9
83.05003	2.0
83.08604	6.9
85.02908	3.3
88.29321	1.8
91.05476	6.2
92.21396	1.8
93.07050	12.0
95.04964	6.3
95.08601	8.1
95.96503	1.3
97.02905	8.4
97.06566	1.4
97.10160	13.4
103.29446	1.4
105.07019	6.9
107.04971	2.7
107.08600	8.3
109.08572	1.7
109.10131	10.7
111.01032	1.5
116.20738	1.6
117.06984	1.6
117.15533	1.5
118.69717	1.6
119.08584	6.5
121.06497	3.2
121.10121	3.5
123.08087	2.0
123.11713	1.6
125.09638	11.4
128.34471	1.4
131.08513	2.7
133.10110	3.6
135.07970	2.5
135.11659	1.9
137.79695	1.5
143.08525	1.9
144.08138	2.0
145.10124	3.3
147.07993	1.7
147.11700	2.2
149.09618	2.0
157.10114	2.4
159.11729	1.8
161.58061	1.5
193.12204	2.6
205.12192	2.3
223.13261	20.1
227.12744	2.9
249.14801	1.8
251.39688	1.6
273.18417	8.8
285.16943	6.8
291.19507	97.0
292.09628	7.8
306.07428	2.1
320.09152	20.4
321.09958	27.7
322.10715	6.8
336.12280	89.7
337.12930	8.6
341.49081	1.8
365.23187	100.0
480.99460	1.8
562.19299	14.1
562.28290	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.07069	7.8
67.05505	6.7
69.07060	4.3
81.07051	4.7
83.08633	1.9
85.02895	1.2
85.06546	100.0
93.07027	1.3
95.08608	5.5
97.10150	2.3
107.08565	1.3
109.10165	2.0
121.10062	1.2
123.11711	1.7
245.22398	1.3
247.19862	1.2
263.23642	5.9
265.25058	1.1
281.24973	3.7
286.08871	1.1
300.08664	16.0
300.30167	1.1
347.29230	1.2
365.30396	12.2
400.72723	1.1
444.94653	1.2
562.30890	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77768	0.9
61.94721	1.2
97.58572	1.1
101.00898	1.3
119.01897	4.6
126.40996	0.9
143.01891	23.2
145.03470	7.6
155.01915	17.0
157.03462	1.8
161.02945	17.3
167.01874	8.7
169.03546	1.5
173.02969	16.6
179.01860	1.9
185.02934	43.8
187.04549	5.0
191.01935	2.5
197.02971	14.1
203.02322	1.0
203.03949	8.1
209.02957	9.6
215.03941	11.0
217.03398	1.4
221.05055	3.8
227.03995	14.4
235.04477	25.4
239.03989	4.5
245.02893	4.1
245.05045	100.0
253.05562	66.3
257.05066	6.1
263.03763	12.2
263.06262	9.3
265.05594	4.8
275.06146	7.6
277.05536	8.5
279.07199	4.2
281.05157	13.0
289.05707	5.3
293.05090	5.6
294.05811	5.5
295.06921	3.7
299.06171	26.9
300.96869	1.0
305.07233	7.0
307.06577	2.4
311.06076	4.1
319.06802	5.7
323.06131	1.7
337.07651	16.5
341.07193	12.5
347.06097	8.7
355.08719	19.8
365.08606	9.7
383.08163	34.7
401.09241	33.8
419.10355	1.5
443.10394	9.2
458.97009	1.3
473.11343	4.1
503.12521	2.5
563.14587	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57481	0.8
72.04739	0.9
82.98174	1.0
87.47164	1.0
88.21840	0.8
101.00908	1.1
101.51003	1.1
119.01926	5.8
143.01913	19.0
143.02971	1.5
145.03503	5.1
148.38486	1.0
155.01863	13.3
157.03448	1.4
161.02933	13.4
164.38931	1.1
167.01907	7.4
168.00789	1.1
169.03447	1.3
171.05122	1.2
173.02953	16.5
183.38594	1.1
185.02959	40.1
185.04654	1.4
187.04535	2.1
187.84326	0.9
191.01976	2.2
193.03450	1.3
197.02917	10.9
203.04008	10.5
209.02951	8.1
215.04007	12.7
217.03523	1.7
221.05019	1.7
227.03999	14.4
235.04501	17.9
245.05048	100.0
247.04585	1.3
253.05551	54.8
257.05051	3.8
263.03674	9.3
263.06226	11.3
265.05737	1.8
275.06131	6.5
277.05637	5.7
281.05099	10.3
289.05676	4.2
295.06757	2.3
299.06149	27.1
305.07208	4.2
307.06793	1.8
311.06131	2.1
319.06689	1.2
329.07144	3.7
337.07587	4.7
341.07172	11.5
355.08777	2.3
365.09326	8.6
383.08173	13.7
401.09311	15.9
417.49933	1.3
443.10419	3.9
503.12845	1.3
563.14551	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1701
Annotation	Vialinin A
Peak:m/z	Relative Intensity
62.56584	0.7
71.12479	0.6
87.08160	0.7
90.20564	0.7
91.05486	51.6
92.96440	0.7
103.65492	0.8
147.04424	3.8
153.05646	0.7
187.03917	14.2
197.05934	1.0
199.03877	6.6
200.04918	0.7
215.03400	63.0
216.04242	6.0
235.07584	2.9
239.07089	3.1
245.05856	1.1
247.50488	0.8
253.08565	2.9
256.39029	0.9
263.07031	36.9
273.05615	1.4
274.06293	1.6
281.08115	5.8
290.05710	2.7
291.06534	60.0
309.07568	100.0
320.15784	0.9
348.48386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.4
79.99511	0.2
80.73485	0.2
81.03413	0.2
84.92896	0.2
85.02891	1.4
85.06567	0.2
93.07021	0.3
97.02886	0.8
99.04466	0.4
105.07037	0.3
107.08612	0.2
109.02882	0.4
127.03897	0.9
145.04959	0.2
145.10139	0.4
147.11710	0.2
159.11624	0.3
187.29501	0.2
213.16330	0.3
242.05708	1.0
270.05154	2.0
279.21078	0.3
285.07556	100.0
297.22150	3.3
315.23209	1.2
319.08203	0.3
320.09033	0.3
321.09708	0.4
334.10666	1.0
335.11087	0.4
336.12277	1.1
337.12640	0.2
462.13705	0.2
563.17255	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2101
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
56.08119	0.4
56.84990	0.4
58.06602	3.4
80.10177	0.5
92.21512	0.6
93.45041	0.5
95.01086	0.6
96.10527	0.5
112.01326	0.7
113.02122	1.2
115.22932	0.5
127.03898	0.5
147.04425	2.2
159.04121	1.9
167.03230	0.5
185.04286	3.0
189.08984	0.5
194.08218	0.6
199.17357	0.5
201.03786	0.6
201.10368	2.0
202.05927	0.9
203.05223	4.6
204.07582	3.9
206.43645	0.5
282.69232	0.5
337.12686	0.7
351.10452	0.6
360.87695	0.6
365.12332	0.7
366.12823	2.8
476.12936	0.7
563.20929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01531	0.6
69.03439	1.2
74.31064	0.6
82.62767	0.6
99.04463	0.9
107.04961	57.7
109.02894	1.3
110.77659	0.7
115.05468	1.3
121.06519	5.6
132.20903	0.7
136.04239	0.7
137.05960	8.9
143.04936	14.2
145.06459	6.5
148.71068	0.7
151.07541	0.9
161.05856	0.7
163.07574	1.3
175.07481	8.2
180.10196	3.1
192.10188	12.4
195.08276	0.7
209.09778	2.7
211.11134	0.8
225.09039	0.8
237.09103	9.7
246.87849	0.7
251.18924	0.6
269.11710	29.2
271.13434	0.8
285.10052	0.7
300.12469	7.6
300.15900	73.1
311.51797	0.7
342.17767	0.7
467.93124	0.8
548.46045	1.0
563.22333	100.0
584.31458	0.9
586.92297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2288
Annotation	ES-242-8
Peak:m/z	Relative Intensity
52.07529	0.5
52.45861	0.5
57.14096	0.6
61.21563	0.5
67.05498	0.7
69.08772	0.6
71.14807	0.5
79.05501	1.0
81.07059	0.8
81.38033	0.6
83.08696	0.5
85.06524	0.6
93.07045	1.1
95.08625	1.0
107.08571	0.7
121.10123	0.7
133.10097	0.7
158.46172	0.6
229.84779	0.7
295.81100	0.7
369.03003	0.7
391.19119	1.0
405.20874	1.4
406.21533	0.7
419.18573	3.2
434.21024	12.3
437.76248	0.6
447.21982	1.4
461.19257	0.8
462.20612	2.5
463.25098	8.6
466.20154	4.7
475.16727	1.5
475.22192	1.2
489.22791	3.2
490.19937	25.4
491.24274	3.7
503.20868	5.4
507.24130	1.2
517.22363	5.5
535.23621	3.2
545.37164	0.7
548.20520	0.8
563.22839	100.0
563.37646	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19490	0.3
50.80751	0.3
53.29835	0.3
54.66098	0.3
55.04734	0.3
60.40184	0.3
63.83464	0.3
68.02014	0.3
79.05405	0.3
120.46446	0.3
147.87543	0.3
157.71091	0.3
162.65334	0.3
292.09653	9.6
304.09680	1.5
306.07513	2.6
320.09140	9.9
321.09927	31.8
322.10315	0.5
336.12277	100.0
337.12836	1.3
529.56512	0.4
563.27539	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19490	0.3
50.80751	0.3
53.29835	0.3
54.66098	0.3
55.04734	0.3
60.40184	0.3
63.83464	0.3
68.02014	0.3
79.05405	0.3
120.46446	0.3
147.87543	0.3
157.71091	0.3
162.65334	0.3
292.09653	9.6
304.09680	1.5
306.07513	2.6
320.09140	9.9
321.09927	31.8
322.10315	0.5
336.12277	100.0
337.12836	1.3
529.56512	0.4
563.27539	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05502	10.2
57.03421	4.6
62.83344	2.1
67.05508	26.2
69.03418	15.3
69.07060	11.1
71.05005	2.9
73.02919	18.5
79.05486	7.8
81.03418	8.3
81.07058	32.8
83.08615	4.8
85.02897	12.5
89.80759	2.0
90.01090	2.0
91.05470	4.0
91.48356	1.8
93.07041	10.6
95.08611	29.5
96.35654	2.1
97.02905	4.7
97.10159	3.9
99.04460	9.3
105.06996	4.0
107.08582	4.8
109.02864	22.4
109.10155	13.9
111.04457	22.4
121.10088	3.4
123.11703	3.8
127.03902	8.5
132.99551	13.4
133.10088	3.2
149.13287	3.4
155.05162	2.2
168.47264	2.0
191.00085	3.8
245.22563	3.2
250.42078	2.1
263.23639	10.8
337.27292	3.0
365.30954	2.3
563.28760	100.0
563.36401	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48281	0.5
55.05511	0.5
61.18685	0.5
66.64010	0.5
81.07072	1.0
85.35096	0.6
91.05466	0.8
93.07030	1.4
95.05005	0.7
95.08627	0.9
95.87964	0.6
105.06982	0.9
109.10135	0.7
119.08549	0.8
121.06522	0.6
121.10075	1.0
129.40732	0.6
132.79051	0.6
147.11690	1.1
177.90091	0.7
275.60123	0.8
283.94022	0.6
523.92603	0.6
563.31799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70888	0.4
64.57947	0.5
72.72486	0.5
74.09957	0.5
86.43419	0.6
99.04476	1.2
109.36678	0.5
113.13036	0.6
115.52967	0.5
115.74220	0.5
133.01495	0.5
153.16646	0.5
188.69260	0.5
214.68983	0.6
349.23132	0.5
419.88037	0.6
563.31879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38808	0.5
55.05515	0.8
60.61417	0.7
67.05513	1.0
79.05495	1.0
80.52470	0.7
90.65921	0.8
91.61038	0.7
110.06773	0.8
111.93320	0.7
121.06487	1.0
152.69266	0.8
168.75046	0.9
174.13470	0.8
247.14188	0.8
290.02063	0.7
337.12683	3.6
341.12021	1.2
563.31866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37577	0.7
54.96570	0.7
56.00042	0.8
67.89016	0.7
74.74633	0.8
98.33162	0.8
120.65156	0.8
127.68268	0.8
144.57307	0.8
154.81102	0.9
166.06454	0.7
168.85941	0.8
244.11937	0.8
262.68454	0.9
334.82092	1.0
563.42822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45477	0.7
69.84873	0.7
78.18733	0.7
97.11637	0.8
118.26550	0.7
134.99017	0.8
135.54407	0.8
149.85414	0.7
208.31786	0.9
267.35699	0.8
293.20923	5.9
563.42798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.1
57.07078	7.9
62.17659	1.4
62.76674	1.4
67.05505	7.5
69.07078	22.8
69.95447	1.4
71.08634	8.0
73.01724	1.4
79.05500	2.1
80.29025	1.4
81.07072	12.5
82.43011	1.6
83.08632	23.7
85.10206	2.3
86.06089	2.3
93.07029	3.7
95.08598	10.0
97.06524	6.6
97.10161	14.4
100.07642	3.2
107.08608	3.1
109.10136	3.5
111.11729	8.0
114.09150	3.4
121.10165	8.0
125.09623	2.7
128.10695	2.4
135.11667	10.9
139.11208	2.3
149.13243	6.9
163.14716	1.7
173.21239	1.9
247.24364	3.2
265.25177	8.6
265.44009	1.8
269.26120	1.6
282.27911	100.0
299.74930	1.8
331.44733	1.7
492.78174	1.8
563.41718	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
55.01873	1.0
55.05514	22.9
56.22150	0.9
57.03428	1.3
57.07080	28.3
58.06570	0.8
64.23661	0.7
67.05507	14.8
69.06696	1.9
69.07066	48.9
69.24628	0.7
71.04981	1.1
71.08628	20.6
72.04507	1.1
72.08141	4.1
72.91699	0.9
75.81244	0.8
79.05513	6.9
81.06634	1.2
81.07053	27.6
83.04977	1.9
83.08624	45.8
85.06548	1.3
85.10178	8.4
86.06057	8.4
86.09673	1.5
87.46280	0.7
93.07047	14.4
95.08605	24.7
96.13485	0.9
97.06533	12.5
97.10166	41.6
99.08047	1.4
100.07600	14.1
107.08588	12.9
109.10172	14.5
111.08086	13.4
111.11716	16.1
114.09167	14.6
119.08580	1.1
121.10136	22.9
123.11669	6.6
125.09602	8.2
125.13256	2.0
128.10669	7.2
135.11684	18.2
137.13231	1.0
139.11150	7.5
142.12245	3.4
149.13222	10.0
151.14783	1.1
153.12701	1.0
156.13875	1.1
163.14821	6.7
177.16406	4.4
178.87064	1.0
181.60989	0.9
191.17941	1.2
230.71764	1.0
247.24265	7.9
265.25177	12.0
282.27893	100.0
455.82803	1.1
563.39465	12.5
563.53558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09124	0.7
55.01871	1.2
55.05520	9.3
57.07080	13.9
63.01701	0.9
67.05497	6.2
69.07070	25.8
71.08643	9.5
72.08170	1.2
79.05492	3.9
81.07066	14.8
83.04987	1.4
83.08626	24.5
85.10180	4.7
86.06049	3.8
86.09682	1.1
93.07074	6.7
93.37572	1.0
95.08610	14.6
97.06524	6.1
97.10167	20.9
100.07610	7.8
107.08592	5.6
109.10159	6.8
111.08075	7.0
111.11753	9.0
114.09185	6.5
121.10120	10.7
123.11675	1.9
125.09624	4.0
128.10666	3.0
135.11700	9.2
140.02783	0.9
142.12225	1.3
146.67659	0.9
149.13258	6.1
163.14743	1.5
191.17923	1.1
204.93268	0.8
247.24165	4.8
265.25320	9.4
282.27911	100.0
532.92407	1.0
563.39099	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.3
66.13556	0.2
69.03409	1.2
73.02915	0.3
73.57249	0.3
85.02898	1.9
99.04487	0.4
121.17097	0.3
137.52716	0.3
184.34538	0.3
292.09506	0.4
294.11389	0.4
319.08368	0.7
320.09113	3.9
321.09717	1.7
322.10620	1.2
323.11584	2.6
334.10526	2.4
336.12274	22.0
337.12595	0.4
338.08139	1.1
338.13666	4.1
356.09158	1.5
366.07632	4.1
371.08047	2.7
372.08588	0.6
374.10110	0.5
384.08636	19.6
398.09882	0.5
402.09698	100.0
419.63727	0.3
444.10150	0.5
455.81223	0.3
473.72983	0.3
564.14862	30.5
564.25519	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1504
Annotation	Pradimicin O
Peak:m/z	Relative Intensity
58.06593	0.5
62.65234	0.3
79.05685	0.4
93.04370	0.4
125.29353	0.4
134.53377	0.4
154.02548	0.4
185.13158	0.4
213.34229	0.4
292.09665	2.8
302.59244	0.4
318.07520	0.4
319.08276	0.5
320.09161	100.0
334.10901	0.8
336.12488	3.2
460.01883	0.5
564.15094	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07894	0.8
53.56314	0.6
65.80163	0.8
77.28590	0.8
112.76437	0.9
115.56295	0.9
172.03905	6.3
190.04984	100.0
202.05054	1.1
217.06062	19.4
218.04497	15.9
229.06087	1.2
230.01955	1.0
273.11438	7.5
274.08514	1.0
288.10135	1.1
289.11023	7.7
290.08163	2.2
298.67001	1.0
304.06113	1.1
304.13394	9.0
318.07568	4.2
319.08386	14.2
320.09085	6.6
321.09192	1.4
334.10724	23.7
335.11215	2.0
336.12344	4.2
401.73721	1.0
403.12701	1.0
414.13705	1.0
417.12262	4.0
431.13913	17.5
443.14120	8.2
445.11832	25.5
459.13345	42.8
460.14175	10.5
475.09717	1.5
475.16559	42.1
496.15665	1.2
502.18506	1.6
520.18652	49.9
562.12769	1.0
564.17523	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
58.06597	2.1
60.94740	0.5
62.41655	0.5
63.06718	0.5
64.53777	0.4
70.06570	0.5
73.11143	0.5
76.02239	0.6
81.03425	4.8
83.96008	0.5
84.08171	0.7
85.02917	1.1
85.39885	0.5
91.05485	3.9
92.21611	0.7
97.02906	2.3
99.04472	2.6
101.68726	0.5
107.04930	0.7
109.02895	3.9
119.04937	10.5
121.06535	1.2
127.03888	0.6
131.04951	0.9
133.06512	1.1
137.05966	3.0
140.79181	0.5
143.04912	3.1
145.02875	0.6
147.04405	17.5
149.05960	2.0
151.07526	10.4
152.07098	0.8
157.03955	0.7
160.07590	1.2
161.05968	8.8
164.07115	2.1
175.03902	55.4
176.07056	0.6
177.05482	0.8
177.07883	0.8
178.08623	29.3
178.10121	1.2
179.07037	11.8
190.07050	0.6
190.08650	2.9
194.08211	0.7
196.09691	45.1
207.06523	74.4
220.09738	2.9
238.10814	0.9
269.08060	0.7
286.10828	0.8
304.11810	0.7
351.10794	1.3
358.14978	0.8
546.20721	2.4
564.20752	100.0
564.61780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14045	0.4
53.82327	0.4
58.29526	0.5
58.57287	0.5
62.16883	0.4
67.09296	0.5
68.17965	0.4
69.03407	0.7
69.44282	0.4
78.40623	0.5
81.03408	3.9
81.57858	0.5
85.02905	2.5
91.05483	2.6
97.02891	0.5
99.04409	0.6
105.07047	0.7
107.04978	0.8
109.02906	2.6
115.05476	0.7
119.04951	9.7
127.03942	0.8
128.29994	0.7
131.04953	0.7
133.06503	1.9
135.44485	0.5
137.06010	3.3
143.04945	3.0
145.02863	0.6
147.04405	16.9
149.05951	2.3
151.07535	10.7
157.03964	0.9
160.07640	2.3
161.05980	8.1
164.07057	1.0
175.03903	56.3
176.06981	0.8
177.07774	0.9
178.08621	29.2
178.10132	1.0
179.07037	9.9
190.08566	2.7
192.10164	0.9
196.09686	50.5
207.06520	79.3
220.09731	2.6
231.88040	0.6
286.10767	0.9
369.11609	0.8
419.63882	0.7
432.60684	0.6
442.77695	0.6
489.91602	0.6
528.17999	0.7
564.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
58.06597	2.1
60.94740	0.5
62.41655	0.5
63.06718	0.5
64.53777	0.4
70.06570	0.5
73.11143	0.5
76.02239	0.6
81.03425	4.8
83.96008	0.5
84.08171	0.7
85.02917	1.1
85.39885	0.5
91.05485	3.9
92.21611	0.7
97.02906	2.3
99.04472	2.6
101.68726	0.5
107.04930	0.7
109.02895	3.9
119.04937	10.5
121.06535	1.2
127.03888	0.6
131.04951	0.9
133.06512	1.1
137.05966	3.0
140.79181	0.5
143.04912	3.1
145.02875	0.6
147.04405	17.5
149.05960	2.0
151.07526	10.4
152.07098	0.8
157.03955	0.7
160.07590	1.2
161.05968	8.8
164.07115	2.1
175.03902	55.4
176.07056	0.6
177.05482	0.8
177.07883	0.8
178.08623	29.3
178.10121	1.2
179.07037	11.8
190.07050	0.6
190.08650	2.9
194.08211	0.7
196.09691	45.1
207.06523	74.4
220.09738	2.9
238.10814	0.9
269.08060	0.7
286.10828	0.8
304.11810	0.7
351.10794	1.3
358.14978	0.8
546.20721	2.4
564.20752	100.0
564.61780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2227
Annotation	Ravidomycin
Peak:m/z	Relative Intensity
52.53294	1.4
56.24749	1.3
58.88218	1.4
60.50663	1.4
66.09303	1.5
92.20995	2.4
190.04791	1.8
320.09183	3.0
334.10831	2.8
335.12082	1.9
346.10837	2.9
358.10498	2.3
373.13147	2.4
374.10199	19.8
374.14252	3.8
375.11029	9.3
376.11865	2.3
388.11942	26.7
389.12564	12.1
390.12823	2.8
440.18570	2.7
444.21732	5.8
454.20709	2.6
456.21741	7.4
457.18839	4.2
472.21136	53.9
488.20401	2.4
500.20782	70.7
518.21753	100.0
546.21240	38.3
581.11646	1.8
592.85413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55694	0.4
54.95739	0.5
56.29839	0.3
61.19014	0.5
64.68246	0.4
64.95422	0.4
67.05468	0.6
81.07039	0.8
95.04930	0.5
107.08561	0.6
121.10109	0.9
123.04574	0.4
130.28143	0.4
233.79919	0.5
292.09659	8.8
304.09750	0.5
306.07608	2.6
320.09146	10.9
321.09946	30.4
334.10593	1.1
336.12274	100.0
349.23557	2.1
352.15549	1.9
564.25916	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48217	0.3
55.13524	0.4
71.86534	0.4
72.59381	0.4
73.81057	0.5
80.92027	0.4
105.91079	0.4
116.88000	0.4
136.48862	0.4
155.34364	0.5
228.83403	0.4
261.88248	0.5
292.09619	7.0
304.09741	1.9
306.07516	2.0
320.09216	9.8
321.06116	0.8
321.09949	34.1
336.12280	100.0
338.66113	0.4
412.54025	0.5
564.25916	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83144	0.4
157.28255	0.4
176.07068	0.5
181.48732	0.3
229.14397	0.4
234.69571	0.4
287.16010	0.4
292.09647	7.0
306.07730	2.5
320.09152	9.7
321.09921	32.3
336.12268	100.0
352.15100	0.5
362.37198	0.4
480.65649	0.5
564.25928	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06427	0.3
54.35213	0.3
54.53455	0.3
58.79604	0.4
68.52787	0.4
71.89433	0.3
89.53679	0.4
93.19417	0.3
96.99518	0.4
98.87931	0.4
122.70224	0.5
159.55672	0.4
160.66162	0.4
193.13010	0.9
292.09613	2.5
306.07877	0.4
308.12741	0.7
320.09167	8.2
321.09866	6.3
322.10629	0.6
323.11383	1.6
334.10632	1.6
335.19376	4.5
336.12277	100.0
337.12988	0.7
338.13837	4.1
352.15363	2.1
377.24109	0.5
380.02484	0.5
396.49493	0.5
405.27283	1.9
564.18292	1.7
564.26056	47.0
564.35968	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70164	0.5
55.19993	0.5
81.19366	0.5
83.11678	0.6
92.20983	0.6
95.11319	0.5
108.94310	0.6
127.83598	0.5
132.39719	0.7
194.11426	0.7
200.30727	0.7
292.09729	2.5
320.09161	12.1
321.09799	9.3
322.10706	0.9
334.10883	1.1
336.12286	100.0
337.12674	2.5
338.13474	3.0
452.70120	0.8
564.26135	43.5
569.87018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40546	0.3
61.32300	0.4
73.23126	0.4
77.68010	0.4
80.19209	0.4
81.44893	0.4
97.09760	0.4
108.13234	0.4
127.55113	0.4
137.40947	0.5
139.50481	0.5
149.25404	0.4
159.11676	0.5
175.10863	0.5
200.64908	0.4
207.13290	0.5
292.09625	8.2
304.09543	0.8
306.07602	2.5
313.16797	0.5
320.09167	10.5
321.06104	1.1
321.09940	30.0
322.10040	0.6
334.10681	0.6
336.12277	100.0
337.12640	2.2
338.12930	2.3
453.20547	0.6
564.25879	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73579	0.5
74.28697	0.4
80.05040	0.8
85.19151	0.5
92.21518	1.0
97.02859	0.5
107.08594	0.9
109.10079	0.5
124.03947	100.0
157.10159	0.6
171.11636	1.1
245.15324	0.8
307.20523	0.8
335.23508	0.8
381.24280	4.8
451.10663	0.5
530.43359	0.5
542.71704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.3
57.03438	19.0
57.07083	4.1
61.02921	23.0
67.05505	73.2
69.03426	11.8
69.07066	30.0
71.04995	5.6
73.02914	5.8
75.04436	2.9
79.05495	63.4
81.03408	4.4
81.07060	80.1
83.04990	16.4
83.08619	23.0
85.02911	23.6
85.06533	3.5
86.37297	3.1
91.03959	7.2
91.05479	93.3
93.07035	86.8
95.04942	12.8
95.08598	64.0
97.02905	14.3
97.06506	10.5
97.10171	4.8
99.08061	5.2
103.03917	3.6
105.07031	92.6
107.04980	5.8
107.08598	50.1
109.02885	8.5
109.06512	6.5
109.10125	28.2
111.08032	4.1
115.70047	3.4
117.07005	73.1
119.08580	83.1
119.60429	3.7
120.46591	3.1
121.06476	6.5
121.10133	58.5
123.08113	4.4
123.11672	3.9
127.03930	5.1
129.06995	19.5
131.08554	95.6
133.10130	100.0
135.07962	3.1
135.11662	37.4
139.78200	3.8
143.08571	25.8
145.10126	40.8
147.11671	49.6
149.09625	5.2
149.13237	18.9
157.10104	22.1
159.11702	64.5
161.13257	22.8
163.11154	4.2
163.14847	3.3
169.54124	3.5
171.11673	21.9
173.13173	34.8
175.14859	6.9
183.11624	6.3
185.13306	15.0
189.16470	5.2
199.14819	26.6
213.16566	5.8
217.15881	19.3
224.86221	3.7
229.14386	7.7
241.19403	14.4
257.18918	4.1
259.20590	54.4
269.17462	21.0
275.20016	17.7
291.19507	5.1
309.20435	26.7
321.09921	3.7
322.10468	7.6
333.24326	13.6
336.12189	20.9
337.12723	4.4
349.23660	20.3
351.25302	79.9
367.24747	3.7
436.17285	4.8
564.12177	7.6
564.21021	7.5
564.29431	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37036	1.4
55.05506	1.9
57.03437	1.6
67.05511	3.7
69.07065	3.8
71.08621	10.8
72.12781	1.4
79.05490	3.1
81.03413	2.5
81.07062	7.1
91.05461	2.5
93.07029	10.0
95.08636	2.7
97.10147	3.7
99.04428	2.1
99.08070	3.3
105.07037	6.4
107.08585	2.5
109.10121	3.2
119.08546	1.8
121.10126	3.4
125.09646	2.8
131.08575	2.1
133.10118	3.4
147.11728	1.6
180.37216	1.6
209.81335	1.6
227.12720	1.7
235.16919	1.8
259.20508	2.6
275.20120	2.2
285.16974	8.9
293.21091	100.0
320.09241	7.2
336.12296	2.9
351.25171	3.4
367.24786	50.6
439.14664	1.6
574.72479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40190	2.0
53.00296	2.1
53.03954	3.1
54.08173	2.0
55.05518	26.0
57.03439	22.1
57.07076	2.9
61.02929	18.7
67.05508	82.5
69.03420	14.3
69.07078	31.0
71.04996	4.9
73.02907	2.5
75.04436	2.0
79.05070	3.8
79.05493	71.3
81.03419	12.0
81.06612	3.8
81.07059	69.6
83.04971	13.2
83.08609	17.3
85.02909	27.2
85.06552	3.9
86.96452	2.0
91.03962	13.8
91.05472	51.9
93.07040	93.6
95.04958	14.4
95.08601	56.4
97.02888	17.5
97.06526	13.0
97.10165	3.1
99.04455	3.1
99.08047	9.2
103.03941	4.9
105.07035	63.5
107.04933	9.3
107.08588	55.4
109.02862	2.4
109.06515	3.4
109.10146	60.7
111.04462	3.7
111.08060	12.1
117.07008	25.6
119.08572	63.8
121.06521	3.6
121.10143	50.1
123.08074	4.3
123.11694	4.0
125.09602	3.2
127.03886	3.9
129.07005	13.4
131.08568	29.2
133.10117	76.3
135.08067	4.6
135.11678	34.7
137.09619	8.8
141.07057	2.7
143.08617	16.5
145.10120	30.6
147.11679	57.6
149.09590	9.1
149.13225	21.3
151.11162	3.5
155.08553	3.7
157.10098	14.4
159.11673	43.2
161.13228	30.8
163.11177	3.9
163.14801	4.5
169.10144	4.4
170.61673	2.1
171.11601	16.6
173.11700	15.2
173.13263	23.2
175.14833	13.8
177.12723	5.0
183.11665	4.3
185.13242	15.5
187.14726	2.6
195.13849	4.1
199.14775	16.6
213.16408	3.1
227.12747	2.6
229.14360	48.0
239.17923	2.4
241.19498	13.6
257.19046	4.3
259.20532	54.4
269.17459	37.6
275.20047	19.5
320.09332	2.8
321.09830	8.4
336.12280	22.4
349.23929	15.4
351.25293	100.0
403.24619	4.5
421.25992	5.3
437.77423	2.8
564.25214	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
57.03439	2.3
57.07069	2.6
61.02922	6.8
67.05502	11.2
69.03439	14.2
69.07060	18.3
73.02895	1.8
77.29688	1.6
79.05493	10.6
79.62170	1.4
81.03413	2.7
81.07065	97.2
81.07551	3.5
83.08613	2.6
85.02907	100.0
91.03964	7.1
91.05453	3.3
93.07048	41.3
95.08603	41.4
97.02887	19.6
99.04442	2.3
99.59264	1.7
107.08588	30.8
109.02840	11.6
109.10155	30.8
121.10149	92.0
123.11688	15.2
127.03903	30.8
135.11720	17.5
137.13280	2.0
145.04968	44.6
149.13243	33.8
154.12286	2.8
163.06020	23.5
165.12860	1.6
170.02844	1.6
205.19508	23.9
218.86752	1.6
222.22139	2.0
289.09067	2.9
320.09113	8.3
321.09869	6.7
325.11310	23.9
336.12198	12.6
337.12985	10.1
352.15338	17.5
413.19864	1.7
564.30200	14.5
564.43677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18119	1.1
55.01869	1.7
55.05515	2.0
57.03444	3.9
61.02926	1.8
67.05515	23.5
67.26466	1.3
69.07066	8.7
71.05009	1.5
72.04440	1.4
76.40426	1.5
76.59174	1.5
79.05489	8.2
80.66729	1.6
81.03416	3.3
81.07062	30.7
83.04977	7.1
83.08629	3.6
85.02919	6.0
85.06557	1.7
91.05482	9.6
93.07040	23.3
95.04934	3.7
95.08602	17.0
97.06536	6.4
99.08084	2.5
105.07049	14.9
107.04931	2.8
107.08598	14.1
109.06529	2.3
109.10161	10.1
117.07011	6.2
119.08579	10.0
121.06495	1.5
121.10142	10.0
123.11709	1.8
125.09651	2.1
129.06978	2.0
131.08575	9.2
133.10146	11.0
135.08064	2.6
135.11685	10.4
145.10135	7.3
147.11711	7.5
149.09636	2.4
149.13272	10.7
155.43057	1.9
159.11670	19.3
161.13245	3.7
163.11124	1.9
163.14868	1.8
169.05289	1.7
173.13243	6.1
177.12729	10.8
179.14330	2.7
195.13861	6.1
219.65649	1.8
229.14246	3.2
257.18982	2.2
269.17456	42.3
275.20093	11.6
283.19012	10.8
292.09686	8.8
293.10095	2.4
306.07391	2.1
308.12830	7.8
319.08548	2.0
320.09146	11.1
321.09943	30.3
322.10477	17.2
323.11615	2.0
334.10617	10.3
336.12296	100.0
337.12827	51.9
338.13773	9.1
349.23770	22.9
352.15460	68.9
367.25000	12.5
564.28522	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.5
60.08339	11.4
67.05506	70.2
79.05500	90.0
81.07066	96.1
91.05482	51.7
93.07049	100.0
95.08590	64.8
97.22110	13.2
105.07033	52.0
107.08588	26.6
109.10165	68.7
119.08617	54.0
121.10167	31.6
131.08607	25.5
133.10176	73.0
135.11671	29.3
147.11696	58.6
149.13248	17.8
151.39380	12.5
159.11710	28.5
161.13283	30.7
169.38017	16.5
173.13307	20.1
195.56421	13.2
202.82761	15.7
229.14363	87.2
259.20535	55.3
269.17593	17.5
275.19965	19.0
320.09091	51.9
336.12439	23.3
351.25339	95.5
365.98972	16.0
389.84683	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18923	0.3
64.19324	0.4
74.02720	0.3
74.14004	0.4
79.05469	0.4
81.07063	0.6
87.04465	5.0
95.08607	0.4
95.79910	0.5
99.43430	0.4
100.15406	0.4
104.45810	0.4
109.10129	0.5
121.06472	0.7
131.08621	0.4
133.10088	0.5
137.31413	0.5
138.02519	0.5
143.08662	0.4
147.11754	0.4
292.09561	0.9
294.11133	0.6
319.08401	1.7
320.09158	2.4
321.09940	4.9
322.10458	2.1
323.11304	3.4
325.18439	0.6
334.10773	3.1
336.09213	0.6
336.12274	17.1
337.12729	2.9
338.13687	10.1
340.26489	0.8
349.23663	0.8
352.11539	1.6
352.15582	0.9
359.91922	0.5
361.96008	0.5
368.25803	13.8
386.26868	30.1
404.27829	2.8
442.29541	1.0
460.30402	5.8
472.30963	0.5
478.31625	6.5
490.31345	1.7
546.34241	0.7
564.25677	17.2
564.35150	100.0
589.49225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	6.6
58.42686	1.2
61.69998	1.3
63.55086	1.5
67.05508	3.8
69.07066	2.3
70.21549	1.4
70.96110	1.5
78.84521	1.5
81.07081	5.4
82.85654	1.7
86.58767	1.5
88.23268	1.4
91.05494	2.4
92.20962	2.3
93.07032	3.2
95.08590	2.4
106.48666	1.5
107.08582	2.3
109.10142	7.5
112.08512	1.7
119.08594	2.6
121.10125	2.6
122.03071	1.4
135.11691	2.4
136.11192	3.4
139.03886	1.5
149.12050	1.7
149.13220	2.1
154.12265	100.0
166.15964	2.1
167.10915	1.5
171.14961	2.7
181.16980	7.0
182.15402	82.8
196.16959	10.8
196.26874	1.5
199.18091	18.6
210.18546	2.4
248.59978	1.6
300.23120	9.0
317.25793	24.4
318.24313	9.5
320.09067	2.7
322.10632	2.0
323.76654	1.6
331.26596	1.8
331.73462	1.7
334.10773	9.3
334.28448	3.7
335.26917	86.6
336.12164	9.6
337.12869	8.8
348.25043	5.4
349.28400	9.3
352.15329	9.7
352.29266	2.8
363.22607	2.2
363.30109	3.0
366.26364	1.7
383.28986	6.5
546.42664	6.4
548.14838	1.9
564.28973	7.6
564.43732	50.2
580.72650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
120.13677	0.9
125.00025	2.4
144.28908	1.1
188.07147	5.1
190.08702	2.2
253.12961	2.3
292.09769	9.7
302.08273	1.7
304.07043	1.9
306.07806	5.5
307.08517	2.3
318.08170	1.6
320.09180	36.3
320.12711	1.5
321.09918	23.9
322.10907	5.0
323.11499	1.8
334.10715	11.7
335.11636	5.8
336.12283	35.4
336.15964	1.7
347.11673	1.5
348.12173	1.9
350.13931	6.2
352.11823	4.0
362.13843	1.3
363.13495	4.9
371.17755	1.1
377.15070	2.4
380.15152	1.3
385.56900	1.2
393.18088	96.2
395.16159	1.3
409.17496	1.2
411.19162	73.2
429.85135	1.2
473.15155	1.4
565.19604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
81.72216	0.5
89.11804	0.4
89.42913	0.5
102.50054	0.4
114.94378	0.5
135.47392	0.5
165.79265	0.5
167.06975	0.6
193.55986	0.5
208.67693	0.5
210.27998	0.6
290.08188	5.5
302.07947	1.2
303.09006	0.6
304.06073	6.4
318.07574	7.7
319.08374	43.6
320.09122	1.0
334.10721	100.0
335.10950	2.0
336.12421	1.1
565.19690	60.6
583.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36929	0.4
87.72948	0.5
89.51505	0.4
111.44845	0.4
124.23450	0.5
127.37435	0.5
132.47815	0.5
143.71217	0.4
201.43301	0.5
241.25891	0.5
276.06396	0.6
290.08154	7.8
302.08145	2.7
304.06033	7.2
318.07587	9.4
319.08392	48.0
320.09146	0.8
334.10733	100.0
547.09235	0.6
565.19769	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
73.14352	0.3
92.79632	0.3
115.51080	0.3
137.05914	0.4
161.43474	0.3
259.75348	0.4
290.08118	10.6
302.08105	2.7
304.02710	0.6
304.06033	7.8
318.04285	0.6
318.07608	10.0
318.74771	0.3
319.08398	50.5
320.09100	0.3
334.10730	100.0
339.12378	0.4
407.40216	0.4
442.18124	0.3
457.19260	0.3
459.31424	0.4
565.20032	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58610	0.3
62.32341	0.3
80.38916	0.3
92.20922	0.4
93.70562	0.3
98.25906	0.3
107.83681	0.3
115.17353	0.3
133.45679	0.3
194.12381	0.4
204.96715	0.4
281.97482	0.4
290.08066	6.8
302.08139	2.1
304.05954	5.7
318.07559	8.5
319.08383	44.1
334.10724	100.0
335.11029	1.7
336.12210	0.7
442.60681	0.4
565.19672	62.8
591.72064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
81.72216	0.5
89.11804	0.4
89.42913	0.5
102.50054	0.4
114.94378	0.5
135.47392	0.5
165.79265	0.5
167.06975	0.6
193.55986	0.5
208.67693	0.5
210.27998	0.6
290.08188	5.5
302.07947	1.2
303.09006	0.6
304.06073	6.4
318.07574	7.7
319.08374	43.6
320.09122	1.0
334.10721	100.0
335.10950	2.0
336.12421	1.1
565.19690	60.6
583.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14659	0.4
53.01432	0.3
66.13244	0.4
71.74203	0.4
97.68463	0.4
101.99377	0.5
115.99260	0.4
119.96590	0.4
120.26196	0.4
123.25552	0.4
276.06433	0.8
290.08090	6.6
302.07986	2.3
304.05997	6.9
310.31845	0.5
318.07608	8.0
319.08386	49.7
322.10532	0.6
334.10706	100.0
540.45532	0.5
565.19666	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74017	0.5
58.06599	1.0
60.75855	0.5
70.06575	1.3
74.71744	0.6
84.08132	1.0
85.02880	0.5
118.06520	2.5
121.37117	0.5
132.08090	2.5
144.08093	5.8
146.05997	37.9
146.44627	0.5
159.09161	3.8
170.06064	1.3
188.07056	100.0
203.44284	0.6
205.09714	31.3
209.37892	0.6
401.09247	0.6
403.13708	0.8
428.60120	0.7
557.30255	0.7
565.19305	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27924	1.4
60.30721	1.4
65.03946	1.8
79.05486	1.8
81.03423	4.0
81.07047	1.7
91.05483	15.8
93.07034	8.6
95.04963	8.5
102.94650	1.6
103.05445	12.4
105.03426	1.6
105.07037	6.9
107.04934	12.0
109.20447	1.5
115.05447	3.5
117.06965	2.8
119.04939	7.1
121.06474	7.3
121.49042	1.5
123.04456	2.7
125.05995	3.1
131.04922	8.9
133.02853	29.7
133.06508	7.5
135.04436	2.4
137.05986	22.0
145.06494	3.9
147.04398	2.1
147.08072	2.5
149.05939	9.8
151.04004	2.4
151.07524	16.9
153.05449	8.2
159.08006	1.7
161.05939	12.1
163.07552	4.0
165.05472	8.7
167.07028	100.0
173.05959	9.4
175.07533	7.1
177.09114	3.6
179.99184	1.8
181.04964	27.5
181.06429	2.6
187.07527	2.8
189.09064	2.6
191.06993	20.5
193.08507	1.9
203.06975	6.9
205.08611	3.9
207.06403	2.1
223.07477	2.7
227.07114	2.1
235.09634	6.8
240.07767	2.8
241.08612	6.7
255.10205	3.1
269.08163	1.8
279.10089	2.5
287.12836	1.8
291.10236	2.7
293.07962	1.8
295.09558	2.8
315.12354	2.4
320.09171	6.6
321.09616	8.0
323.09406	2.4
329.10092	8.4
334.10672	7.3
336.12259	8.9
355.11682	3.7
377.23972	2.0
378.24390	11.5
381.13159	2.5
385.12915	3.1
535.19440	10.7
550.97784	2.1
565.20978	78.2
565.28827	3.1
565.35962	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56768	2.1
63.51793	2.0
65.03950	5.4
68.50327	2.4
69.08856	2.8
70.46383	2.4
72.16226	2.4
93.03409	6.7
94.26193	2.6
99.04464	3.8
105.07042	5.7
107.04935	4.2
110.03666	5.2
111.04458	18.0
118.59737	2.7
121.64466	2.8
125.05991	21.1
125.52808	2.9
133.06467	3.9
135.04338	2.7
137.05986	5.0
147.04442	4.0
151.03914	36.9
153.05457	60.9
159.08014	4.5
161.05988	10.3
165.05515	4.8
167.07011	27.7
175.07510	14.9
177.05397	4.3
181.59451	2.7
187.07570	3.1
189.05466	5.3
191.07011	3.4
195.06483	2.9
199.07608	3.5
203.08591	4.6
216.07826	6.5
219.07986	4.4
220.08878	4.3
229.08612	3.3
233.09529	4.0
236.08243	4.7
247.07526	6.8
248.08363	4.6
249.09140	6.2
251.10657	20.2
263.10791	3.1
264.07779	16.6
265.08359	9.6
275.06873	3.0
276.07831	16.9
277.08713	9.3
278.09293	5.8
279.10263	10.4
291.10144	3.8
293.08029	4.1
304.07153	3.4
305.08212	4.3
307.09613	32.5
308.10297	11.4
319.09161	13.7
320.09155	14.2
321.09503	16.4
334.10654	16.4
337.10461	3.2
339.12250	100.0
351.12256	33.7
369.13358	3.5
515.16516	2.9
565.21722	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01871	5.4
57.03469	1.1
60.87007	1.4
61.02947	1.6
65.03944	1.9
67.05531	1.5
69.03439	12.2
71.04996	2.3
73.02915	2.3
79.05500	6.4
81.03420	15.3
81.07056	5.8
85.02905	37.6
85.06559	7.0
87.00837	9.2
91.05490	17.5
93.07066	14.0
95.04996	6.7
95.08620	7.8
97.02907	9.5
99.04475	6.2
103.05462	11.9
105.01893	15.5
105.07041	10.0
106.37332	1.3
107.04987	6.7
107.08597	11.1
109.02879	17.8
109.10191	6.8
111.04443	2.1
117.01933	1.6
117.07052	8.0
119.04946	2.2
119.08610	6.7
121.06519	7.4
121.10186	9.6
123.04450	3.3
125.06029	3.2
127.03914	32.2
129.01852	2.1
131.04971	9.0
131.08606	2.5
133.02853	38.3
133.06511	6.1
133.10159	7.0
133.30138	1.4
135.04443	3.0
135.11723	5.5
136.59914	1.3
137.05965	19.7
143.04919	2.1
143.08598	1.8
145.05019	8.5
145.06517	9.6
145.10164	9.6
147.04381	2.3
147.08086	2.8
147.11661	13.8
149.05978	10.1
149.13335	1.8
151.03964	2.9
151.07565	11.5
153.05499	2.4
155.07169	1.5
157.10141	1.7
157.25620	1.6
159.02866	11.0
159.11696	10.3
161.05951	11.2
161.13297	8.2
163.07584	3.0
165.05539	6.7
167.07033	91.1
167.15555	1.4
173.05997	7.5
173.13281	5.4
175.07634	6.0
175.14853	3.3
177.05569	1.7
177.09171	1.7
179.07060	1.5
181.04980	23.1
185.13274	3.5
187.07463	1.9
187.14912	2.4
189.09200	2.3
189.12762	6.0
190.06471	1.4
191.07071	16.5
191.14348	3.5
195.08208	1.5
197.13245	2.7
199.14801	6.4
201.05475	1.6
201.16498	2.8
203.07103	2.7
203.14391	7.9
205.08627	3.1
205.15977	2.4
211.07545	1.7
213.16330	2.6
215.17982	5.6
217.08672	2.1
217.15886	2.1
223.07510	2.2
225.16446	2.3
226.06323	1.6
229.19603	2.4
231.05080	7.7
235.09621	4.7
241.08670	6.5
241.19560	6.5
249.06056	1.7
255.10165	3.2
255.21143	5.9
258.15335	1.5
273.67252	1.5
281.22580	15.4
299.23703	100.0
313.10870	2.3
317.24738	21.3
319.08530	5.4
320.09082	6.8
321.10022	2.0
329.10287	11.2
334.10849	6.7
336.12607	3.1
385.12830	3.3
397.12866	1.8
414.78006	1.5
437.34665	1.4
535.19684	8.4
565.20673	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02560	1.0
60.04578	1.2
61.95250	1.2
67.05493	2.3
75.04562	1.1
81.07050	2.3
92.02851	1.4
95.08585	2.2
107.08601	2.5
109.10132	1.9
119.08636	1.4
123.11860	1.2
126.59985	1.3
127.37391	1.1
187.69862	1.4
191.36046	1.4
222.89558	1.2
295.33987	1.3
332.61868	1.7
404.30917	1.4
405.20724	2.3
420.23215	10.9
452.21997	6.7
460.21851	2.0
461.23169	2.2
475.25116	1.8
477.19354	1.9
477.26422	2.7
478.23645	2.2
488.21838	2.3
492.21280	5.1
493.26163	9.2
503.24564	24.8
505.22403	1.9
521.25500	11.3
537.25305	9.3
547.44434	1.5
565.24347	100.0
565.46417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67657	0.7
75.44299	0.7
81.07056	0.8
95.08572	0.7
226.01878	0.8
337.63242	0.8
405.20575	3.5
419.22565	1.1
420.23047	16.6
421.24078	3.7
434.24591	1.7
448.22357	1.4
452.22116	5.2
460.22916	1.5
463.17343	1.5
464.21912	1.3
473.87109	0.7
475.24939	4.6
477.19412	2.7
477.26526	5.1
478.23935	3.3
487.20609	0.9
488.22055	6.1
491.20575	1.3
492.21570	3.5
493.25943	11.2
503.24426	32.8
503.31763	1.4
505.22308	2.9
519.23846	0.8
521.25464	14.1
537.24890	13.8
538.30450	0.7
565.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63263	0.4
54.32325	0.4
63.58163	0.5
67.05469	0.7
68.10911	0.4
88.88161	0.5
94.16334	0.4
145.29715	0.5
156.45995	0.5
235.62494	0.7
292.09619	9.3
304.09698	1.7
306.07666	2.9
312.66861	0.5
320.09152	10.9
321.06049	0.9
321.09943	35.0
336.12299	100.0
462.13794	0.5
565.25464	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63263	0.4
54.32325	0.4
63.58163	0.5
67.05469	0.7
68.10911	0.4
88.88161	0.5
94.16334	0.4
145.29715	0.5
156.45995	0.5
235.62494	0.7
292.09619	9.3
304.09698	1.7
306.07666	2.9
312.66861	0.5
320.09152	10.9
321.06049	0.9
321.09943	35.0
336.12299	100.0
462.13794	0.5
565.25464	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45453	0.3
56.76780	0.3
67.05501	0.4
70.99419	0.3
93.20420	0.4
95.08582	0.4
97.02917	0.6
104.19040	0.4
105.62093	0.4
107.08542	0.4
137.64952	0.4
145.10123	0.5
207.21852	0.3
221.61754	0.5
292.09686	9.1
304.09677	2.1
306.07684	2.5
309.13174	0.4
320.09174	10.1
321.09930	33.6
322.10211	0.6
336.12296	100.0
337.12628	3.3
338.13123	0.8
352.15506	1.9
353.15729	3.6
360.25690	0.5
565.25330	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74270	0.4
55.74572	0.4
57.72931	0.4
60.05626	0.7
61.89634	0.4
62.72094	0.4
62.85174	0.4
66.91190	0.4
81.03400	0.6
106.92770	0.5
109.02814	0.5
111.05560	1.9
120.04413	3.1
126.06609	0.7
132.04453	3.7
134.05975	2.4
151.06154	0.5
168.08762	0.9
202.09721	4.3
216.11295	1.1
230.09256	4.5
233.13866	0.6
242.09090	0.9
257.10318	0.9
259.11880	100.0
277.12933	11.3
284.11356	7.3
301.14139	1.0
302.12439	37.5
320.09482	0.9
330.15247	0.6
338.31650	0.5
346.62189	0.5
403.16061	2.0
418.66757	0.6
421.17218	10.0
428.15933	0.8
463.19376	1.0
523.23920	8.6
565.26172	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05658	1.2
64.11217	0.5
72.29842	0.5
81.03429	0.6
111.05573	3.0
120.04471	2.2
131.75941	0.5
132.04453	5.6
134.06030	2.4
141.13448	0.6
168.08844	1.3
180.90071	0.6
191.78371	0.5
202.09773	2.6
216.11389	1.3
230.09329	4.1
232.10905	0.9
242.09299	2.5
257.10382	1.5
259.11890	100.0
277.12936	10.9
284.11328	7.8
289.94489	0.7
301.13992	1.4
302.12460	39.0
320.09164	4.5
403.15936	2.8
421.17154	10.2
523.24011	11.0
565.26227	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74270	0.4
55.74572	0.4
57.72931	0.4
60.05626	0.7
61.89634	0.4
62.72094	0.4
62.85174	0.4
66.91190	0.4
81.03400	0.6
106.92770	0.5
109.02814	0.5
111.05560	1.9
120.04413	3.1
126.06609	0.7
132.04453	3.7
134.05975	2.4
151.06154	0.5
168.08762	0.9
202.09721	4.3
216.11295	1.1
230.09256	4.5
233.13866	0.6
242.09090	0.9
257.10318	0.9
259.11880	100.0
277.12933	11.3
284.11356	7.3
301.14139	1.0
302.12439	37.5
320.09482	0.9
330.15247	0.6
338.31650	0.5
346.62189	0.5
403.16061	2.0
418.66757	0.6
421.17218	10.0
428.15933	0.8
463.19376	1.0
523.23920	8.6
565.26172	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71381	0.6
58.06616	0.7
60.05648	0.5
62.25031	0.5
70.06599	0.9
71.51211	0.5
72.08157	0.6
81.03421	0.9
84.74825	0.6
85.02921	0.6
97.02956	0.6
109.02894	0.7
110.97346	0.6
111.05611	2.4
120.04520	2.8
121.06577	0.7
132.04442	6.0
134.06041	2.2
136.55232	0.6
168.08875	0.9
202.09833	3.0
216.11349	1.1
230.09294	5.6
242.09319	1.4
257.10513	0.9
259.11893	100.0
277.12924	11.5
284.11377	6.6
301.14532	0.7
302.12469	40.0
324.12408	0.6
335.78836	0.6
403.16199	1.2
420.95102	0.7
421.17126	12.2
422.89969	0.6
463.19501	1.0
523.23895	11.4
565.26331	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74270	0.4
55.74572	0.4
57.72931	0.4
60.05626	0.7
61.89634	0.4
62.72094	0.4
62.85174	0.4
66.91190	0.4
81.03400	0.6
106.92770	0.5
109.02814	0.5
111.05560	1.9
120.04413	3.1
126.06609	0.7
132.04453	3.7
134.05975	2.4
151.06154	0.5
168.08762	0.9
202.09721	4.3
216.11295	1.1
230.09256	4.5
233.13866	0.6
242.09090	0.9
257.10318	0.9
259.11880	100.0
277.12933	11.3
284.11356	7.3
301.14139	1.0
302.12439	37.5
320.09482	0.9
330.15247	0.6
338.31650	0.5
346.62189	0.5
403.16061	2.0
418.66757	0.6
421.17218	10.0
428.15933	0.8
463.19376	1.0
523.23920	8.6
565.26172	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01385	0.5
58.06591	1.0
60.05648	1.1
62.00492	0.6
63.62226	0.6
66.76363	0.6
70.06607	0.8
70.49232	0.6
72.04546	0.6
72.08165	0.6
78.90103	0.6
84.08178	0.8
85.02938	0.8
89.36274	0.5
111.05602	2.9
118.52007	0.6
120.04512	2.5
132.04492	4.6
134.06039	1.3
168.08786	1.3
170.87978	0.6
175.03920	1.0
202.09813	2.5
207.06650	2.4
215.06902	0.7
216.11525	2.6
230.09221	6.5
242.09285	1.4
259.11890	100.0
277.12967	12.2
284.11411	10.0
301.14139	1.1
302.12466	42.5
320.09296	6.4
321.09665	0.9
334.11005	0.9
336.12628	0.7
337.12921	1.0
339.69653	0.6
364.80377	0.7
403.16013	3.4
421.17206	12.8
463.19525	0.7
522.90344	0.8
523.24060	10.6
565.18903	4.5
565.26294	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71381	0.6
58.06616	0.7
60.05648	0.5
62.25031	0.5
70.06599	0.9
71.51211	0.5
72.08157	0.6
81.03421	0.9
84.74825	0.6
85.02921	0.6
97.02956	0.6
109.02894	0.7
110.97346	0.6
111.05611	2.4
120.04520	2.8
121.06577	0.7
132.04442	6.0
134.06041	2.2
136.55232	0.6
168.08875	0.9
202.09833	3.0
216.11349	1.1
230.09294	5.6
242.09319	1.4
257.10513	0.9
259.11893	100.0
277.12924	11.5
284.11377	6.6
301.14532	0.7
302.12469	40.0
324.12408	0.6
335.78836	0.6
403.16199	1.2
420.95102	0.7
421.17126	12.2
422.89969	0.6
463.19501	1.0
523.23895	11.4
565.26331	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28056	0.5
54.73195	0.6
55.18811	0.5
58.06590	0.9
60.05654	0.9
70.06602	0.8
99.04465	2.4
111.05581	2.6
120.04440	3.6
121.06523	0.6
126.06655	1.1
132.04448	6.1
134.06029	2.5
168.08746	1.0
177.05482	0.8
179.38739	0.7
202.09773	4.1
216.11325	1.1
230.09291	5.6
242.09338	0.8
257.10205	1.1
259.11890	100.0
276.71664	0.6
277.12936	9.8
284.11374	7.5
290.94061	0.6
301.14011	1.3
302.12463	45.9
379.15915	0.8
403.16309	1.2
421.17084	13.3
463.19119	1.5
505.22070	0.6
523.16760	0.7
523.24030	11.7
565.26483	99.2
580.96637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	1.8
67.05507	8.3
81.07059	1.9
81.61729	1.6
93.06991	1.7
95.08614	5.7
103.95185	1.4
105.06969	1.7
109.10142	11.5
119.08607	1.6
121.10137	1.8
133.10141	2.0
160.19096	1.5
217.84821	1.6
272.17438	1.9
296.34723	1.6
390.37726	2.0
467.37393	8.5
565.31354	100.0
565.39954	3.6
565.44812	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22285	0.4
70.38184	0.5
74.12151	0.4
81.07065	0.6
81.13687	0.4
84.18819	0.5
143.89528	0.6
269.09927	0.5
352.98169	0.5
420.45364	0.5
489.87619	0.6
510.37637	0.5
565.33490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2024
Annotation	Viridicatumtoxin
Peak:m/z	Relative Intensity
64.25962	0.9
67.63630	1.0
114.22303	1.1
129.67923	1.1
133.36624	1.2
149.06042	1.4
153.52020	1.0
173.06047	1.0
174.05505	1.5
207.37178	1.3
281.66110	1.3
290.52255	1.1
316.09708	2.1
319.08566	1.6
320.09195	12.8
321.09708	4.6
324.08502	2.5
330.11172	5.7
332.09320	1.9
334.10730	4.4
336.12549	7.7
338.10220	2.3
339.11044	7.0
344.09216	2.6
346.10458	1.9
347.11487	5.0
348.08737	5.6
358.10757	8.2
360.08441	1.8
360.12381	2.4
362.10226	1.7
374.10037	7.9
376.07944	7.4
388.11908	6.0
389.12634	5.8
390.09711	9.5
391.10489	69.4
392.11157	11.1
404.11249	22.8
456.18182	2.3
474.19122	14.5
484.17554	1.5
488.17316	3.7
502.18454	9.1
504.20120	1.5
520.19672	15.0
530.17780	1.7
548.19196	100.0
566.20160	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
69.03428	10.7
70.06591	1.1
83.61499	0.9
85.02917	9.6
87.04460	8.9
92.20968	1.3
97.02905	7.7
107.04957	41.1
115.03968	2.3
121.06506	1.2
123.04456	5.8
133.05005	1.0
135.04514	1.0
137.05995	0.9
143.04953	8.5
144.75613	1.2
145.05273	0.8
145.06506	5.3
161.05949	11.9
161.47780	0.9
164.07048	14.5
206.97560	0.9
233.22697	1.0
237.09053	1.5
255.10158	42.5
272.12808	37.2
272.15729	1.2
310.71564	0.9
358.51010	0.9
434.18130	16.4
566.22363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73113	0.5
52.65814	0.6
56.20953	0.7
57.03428	2.7
59.05023	0.7
65.76011	0.6
69.03434	15.1
71.45900	0.7
73.70435	0.6
85.02904	14.3
87.04469	10.0
88.75307	0.7
97.02892	12.1
107.04954	46.6
115.03921	7.3
121.06482	1.0
123.04431	8.4
133.04965	1.6
137.05911	0.8
143.04941	4.5
145.06465	6.7
149.05972	3.2
161.05956	23.5
164.07104	5.5
209.09671	1.0
237.09142	1.4
255.10130	51.6
272.12778	33.6
333.68295	0.8
434.18271	9.8
475.40826	0.8
512.38239	0.7
566.22308	100.0
571.00586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04901	1.2
83.17406	1.3
90.94486	1.2
91.57616	1.4
93.07034	1.4
131.04886	1.8
137.05981	17.5
149.05983	14.2
163.07451	3.1
165.88347	1.4
167.10612	1.3
171.08023	1.8
174.05432	1.9
175.06186	3.2
176.07080	38.7
177.07718	7.5
191.07004	2.8
192.06537	39.3
194.08026	6.3
199.07512	10.9
208.50502	1.5
225.09056	1.8
231.17375	2.8
239.06975	3.1
249.12698	2.2
255.06596	5.1
257.07907	2.6
265.08359	1.7
277.17816	6.9
279.13571	3.2
280.14304	3.0
292.09503	7.0
293.15280	1.5
294.10995	5.5
295.18869	1.8
313.83032	1.5
314.14914	2.7
320.09204	24.3
321.09912	22.9
322.10385	6.5
323.11618	16.3
324.11438	1.8
327.15549	2.3
336.12299	100.0
337.12631	13.6
338.10049	1.9
338.13727	48.3
339.14651	1.8
349.13330	1.3
351.21564	9.7
369.22510	1.6
430.67813	1.4
484.24203	1.5
534.24951	13.0
548.25848	2.4
566.23914	96.3
576.29315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58646	0.8
53.07574	0.9
81.07011	1.2
88.07970	0.9
91.05433	1.6
92.20921	1.6
95.08576	1.2
100.95347	1.0
107.08592	1.1
111.04420	2.1
119.04860	1.2
121.48434	1.0
123.49854	0.9
131.04945	1.0
132.04384	2.2
136.05200	1.3
137.05975	8.9
148.05173	5.1
149.05977	19.8
160.96458	1.0
162.05472	2.1
165.05409	1.1
167.07027	4.8
174.05438	2.2
175.06212	4.5
176.05544	1.4
176.07054	40.3
177.07828	8.5
185.05870	1.1
191.06998	1.8
192.04907	1.8
192.06531	42.3
192.10097	1.8
194.08217	9.2
197.09531	2.2
199.07494	11.7
213.09154	2.0
225.09081	1.5
227.06793	1.3
229.08609	1.5
239.06914	7.2
255.06454	6.4
257.08029	2.1
277.17899	4.4
279.13727	5.6
280.14532	2.1
281.15366	2.3
292.09647	1.6
293.15192	2.1
294.11142	1.7
297.14587	1.2
309.14743	2.2
314.15033	6.7
320.09189	13.8
321.09897	11.7
322.10495	4.5
323.11249	5.7
327.15747	5.6
336.12259	44.4
337.12451	5.2
338.13766	23.4
339.15686	5.8
340.59177	1.4
351.21655	7.3
367.15195	4.3
534.24713	2.0
542.01965	1.1
548.25507	1.6
566.23584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	9.9
68.99768	2.3
83.05006	2.3
85.06543	3.2
91.05471	3.5
92.20901	3.1
113.06020	2.6
119.04926	3.2
125.92928	2.3
133.06485	8.8
140.04700	10.3
145.02879	3.4
145.06447	2.1
147.04416	3.6
149.05920	3.6
151.07463	2.2
155.06998	9.9
161.05995	20.5
163.03899	2.8
164.48486	2.2
164.87471	2.6
167.07028	14.2
175.03903	13.2
177.05489	27.8
179.07008	9.4
181.08606	15.5
184.07571	2.5
190.02570	3.4
191.06995	13.5
192.07854	3.7
193.08557	9.5
195.06375	2.3
195.10069	2.0
196.10858	3.0
205.04974	74.2
206.09398	4.4
207.06552	20.7
209.07994	2.8
217.08656	2.7
223.06073	8.3
224.10458	14.4
261.11206	8.6
290.07944	3.1
302.08099	2.7
304.05988	3.1
307.11826	39.3
308.09241	4.0
318.07544	9.4
319.08484	27.2
320.09183	10.9
321.10080	4.3
322.10855	12.7
323.11655	17.3
334.10751	63.1
336.12283	100.0
337.13242	15.7
338.13858	59.2
352.15408	34.7
397.12839	14.8
399.14420	15.1
411.14352	4.7
429.15375	3.4
445.67285	2.8
499.19180	10.5
529.86707	2.1
548.25995	10.8
566.17963	23.4
566.27271	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53048	0.6
58.70655	0.5
59.30061	0.5
72.96962	0.6
95.08612	1.2
103.87065	0.6
110.97223	0.6
119.04916	0.6
120.36304	0.5
131.04922	3.9
135.04428	0.8
148.07600	1.3
149.05983	13.2
149.07060	0.7
161.05994	4.9
174.05492	0.9
176.07059	100.0
178.08604	11.2
178.09868	0.6
215.10779	0.8
255.10147	5.7
271.09695	2.8
281.11700	0.8
292.09683	2.7
295.16962	1.1
296.17575	1.1
320.09192	4.1
321.09882	14.0
322.10367	0.9
336.12274	46.9
337.12573	1.3
338.13098	2.6
351.30853	0.6
355.19153	3.3
383.18588	1.0
548.26477	7.4
566.27466	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07439	0.5
62.41354	0.5
63.12368	0.5
91.05501	0.6
95.08624	0.9
97.62956	0.6
103.24260	0.6
110.28012	0.7
120.08118	1.3
131.04955	3.5
138.95309	0.7
148.07605	1.0
149.05986	12.0
161.05994	4.1
164.69130	0.7
172.44655	0.7
174.05547	3.1
176.07069	100.0
178.08630	12.2
211.50404	0.7
215.10704	0.9
228.08534	0.7
229.12354	1.2
245.11816	1.0
247.28661	0.8
255.10049	5.1
255.13817	1.0
271.09598	4.8
292.09732	3.2
295.17203	0.9
296.17737	3.6
304.09882	0.8
309.18597	1.2
320.09119	5.2
321.09915	9.6
322.09921	3.3
323.11304	0.8
336.12277	46.3
337.12842	1.6
338.13016	2.8
347.62024	0.7
355.18951	1.3
362.44986	0.7
383.18817	1.3
548.26733	5.4
566.27484	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06557	0.7
62.16956	0.4
75.70517	0.4
85.02879	0.5
87.96965	0.5
106.35271	0.5
121.06480	0.7
131.04843	0.6
137.05927	1.1
167.06995	0.5
215.60327	0.5
263.12598	0.7
277.18201	0.6
292.09750	2.1
293.10132	0.9
294.11255	9.0
306.07648	0.6
306.11252	1.2
308.09198	4.4
308.12805	2.1
309.09940	0.6
319.08340	0.6
320.09183	2.9
321.09885	7.9
322.10681	13.4
323.11508	37.1
324.11877	0.8
334.10831	0.9
336.08115	0.6
336.12274	25.1
337.12946	7.9
338.13843	100.0
339.14163	2.6
351.21497	1.9
352.11603	0.8
352.15424	13.2
375.96329	0.5
400.52988	0.6
548.26306	0.7
566.27563	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11152	0.5
56.59035	0.5
69.07080	3.0
72.95921	0.5
76.74690	0.6
79.05489	0.5
92.21547	0.6
96.08138	16.6
101.20517	0.6
113.10779	8.9
114.09171	66.7
115.07535	1.9
132.10217	1.4
166.73277	0.6
173.58893	0.6
208.18007	1.1
209.16499	45.2
210.14929	2.9
226.19122	17.2
227.17633	6.4
228.15944	20.3
287.79105	0.6
321.26620	3.1
322.24899	21.7
322.28421	1.1
323.22958	0.9
339.27441	6.6
340.26163	2.7
341.24316	4.7
434.34998	1.1
435.33383	6.6
452.35910	1.2
453.34299	2.9
548.41699	9.0
566.42804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1287
Annotation	4',4'''-Di-O-methylcupressuflavone
Peak:m/z	Relative Intensity
53.67110	0.3
55.05495	0.8
57.07066	1.0
65.94762	0.3
67.05489	0.4
69.07062	0.9
71.08614	1.1
71.29467	0.4
72.88789	0.4
72.91963	0.4
73.97771	0.5
76.43376	0.4
81.07026	0.7
83.08621	4.0
85.10142	0.6
95.08593	0.9
105.03313	0.9
111.08044	2.5
139.07503	0.7
157.08540	0.5
175.09679	0.9
213.11179	2.5
251.07054	0.9
271.06027	6.6
283.05994	100.0
285.07559	26.4
297.07574	67.1
379.81775	0.5
469.35339	7.8
567.12830	31.6
567.31226	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87290	0.4
64.45666	0.5
73.92094	0.5
74.53451	0.6
105.03405	0.6
126.81431	0.5
146.96931	0.6
160.13217	0.6
165.01826	8.5
183.02870	6.9
268.07388	2.0
269.08057	4.1
283.05960	4.9
284.06729	7.3
296.06781	7.3
296.13467	0.5
297.07727	2.6
299.09140	25.3
299.12347	1.2
311.09128	100.0
345.29718	0.5
434.86798	0.6
543.96442	0.7
550.59033	0.7
567.16547	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37585	0.3
73.07771	0.3
81.07066	0.4
82.03412	0.3
93.19065	0.3
93.83772	0.3
95.08600	0.3
104.52745	0.3
109.10146	0.3
207.24106	0.3
209.06012	0.4
254.05728	3.7
281.04645	1.6
282.05209	7.1
283.06073	0.7
287.45245	0.3
297.07574	100.0
391.79352	0.3
463.09625	0.4
569.66229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84301	0.2
76.01630	0.2
77.42557	0.2
95.08581	0.2
131.04921	0.8
137.54503	0.3
154.14703	0.2
167.03374	1.4
213.05482	0.5
223.07483	0.2
251.06934	1.9
254.51836	0.2
255.41376	0.3
268.10953	0.2
271.09628	3.4
285.07663	0.3
295.05838	0.5
297.07581	100.0
567.16516	14.4
567.34589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96736	0.9
60.45981	0.9
61.69658	1.0
64.27222	0.8
65.06475	0.9
69.03458	1.1
69.07040	1.3
71.46996	1.0
72.50607	1.0
81.03439	2.5
91.05473	4.4
96.08112	4.9
103.77827	1.1
114.09158	28.4
115.09477	2.5
119.04943	21.3
127.03902	1.1
130.35054	1.1
137.05998	4.2
147.04402	26.9
157.03972	1.6
161.16713	1.0
163.07552	1.1
167.07043	2.4
175.03889	78.7
179.06950	1.7
181.08580	1.8
189.09050	1.2
191.07083	2.3
207.06522	100.0
209.08035	2.4
209.16449	2.5
210.16837	1.2
217.08640	1.3
228.15910	4.4
320.09030	2.0
351.10522	1.6
369.11771	9.5
378.83182	1.3
399.55917	1.2
443.49832	1.1
548.42688	1.6
549.19598	1.3
566.92957	17.0
567.43097	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99121	0.2
53.67403	0.3
67.05431	0.3
71.04983	0.3
81.03403	0.4
85.02808	0.3
96.08110	0.5
99.04386	0.4
101.32564	0.3
109.10144	0.4
114.09146	2.5
115.82979	0.3
119.08511	0.4
127.03828	0.4
133.06390	0.3
133.10078	0.6
137.05968	0.4
164.07289	0.3
165.99133	0.4
167.06949	1.5
191.07080	0.3
213.03831	0.4
283.20505	0.5
292.09650	8.1
301.21765	0.5
304.09628	1.2
306.07565	3.2
319.22437	0.3
320.09189	10.6
321.09955	26.8
334.10806	0.5
335.07877	0.5
336.12289	100.0
337.12640	1.3
350.10324	1.8
352.15466	0.4
531.25952	0.4
549.21466	0.3
567.21295	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43312	0.3
56.23732	0.3
60.92569	0.2
68.27839	0.2
73.75909	0.2
87.71559	0.3
108.75131	0.3
131.04822	0.3
137.05940	0.4
165.57904	0.3
167.07013	1.2
177.66307	0.2
184.25737	0.3
191.07042	0.6
207.06464	0.3
292.09662	8.9
304.09818	1.4
306.07779	2.3
320.09167	10.0
321.09964	26.8
336.12308	100.0
337.12592	0.5
515.94727	0.4
567.21307	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54292	1.6
53.88985	1.3
54.75119	1.6
58.15202	1.5
67.22639	1.5
70.06594	10.6
72.08157	8.1
73.32819	1.4
73.79965	1.5
74.18894	1.9
81.02991	1.4
81.03411	13.7
81.07066	3.2
84.08144	2.2
94.06538	1.6
95.04962	3.8
96.08136	19.6
98.09689	26.4
110.06033	9.8
111.04446	9.0
112.07600	2.0
114.09169	66.3
116.10715	21.3
119.04947	3.7
120.08062	2.2
120.42907	1.5
128.73436	1.4
130.86032	1.5
133.13380	2.1
136.07561	13.3
137.02341	100.0
137.03362	4.2
140.10706	2.2
147.04416	3.0
152.10805	1.6
175.03970	1.6
176.04214	2.1
176.10739	10.3
188.10695	8.5
190.68027	1.4
193.13472	1.9
194.11797	8.6
205.13351	3.1
206.11760	9.4
207.06587	8.7
208.06947	2.2
211.14406	13.8
223.14458	10.5
224.12871	1.8
234.11253	39.2
241.15625	6.4
242.13918	1.7
247.10793	3.3
250.10713	24.4
251.13838	3.4
252.12228	2.4
269.14984	2.8
329.14908	25.4
347.16071	25.3
359.16171	5.6
368.89664	1.8
377.16922	2.6
387.86127	1.6
391.16989	1.7
405.16354	2.7
483.17682	37.6
513.18805	21.4
531.19550	11.3
549.20831	31.2
567.21808	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63239	2.0
62.81913	1.7
63.12566	1.7
70.43925	1.9
79.05505	4.3
85.02920	2.4
85.42853	2.0
91.05470	9.8
103.05511	3.4
105.07018	8.1
107.04945	15.2
110.03641	5.0
111.04438	13.0
115.63765	2.5
119.04948	10.5
125.05965	10.6
129.07019	4.2
131.04895	8.8
133.06519	10.7
137.05969	17.0
147.04414	9.9
153.05470	34.0
159.08124	5.4
161.05928	17.9
163.07521	2.5
165.05421	2.4
167.07034	100.0
175.03992	3.1
175.07498	28.2
179.07021	8.7
181.08730	2.6
184.05325	2.5
187.07489	23.4
189.05383	3.6
191.07025	8.2
199.07527	5.5
207.06409	5.3
215.06906	2.5
216.07895	2.7
219.08099	4.0
221.09589	4.4
233.09433	2.7
248.08296	3.6
249.08936	3.8
251.10699	3.7
261.09149	2.8
263.06961	2.6
264.07755	4.1
265.08624	2.6
276.07767	11.5
277.08499	10.8
278.09167	2.6
279.10199	4.1
281.11707	8.5
289.08472	3.5
291.10184	5.1
293.08194	3.7
305.07877	2.6
307.09534	14.2
308.10419	4.4
309.11017	5.1
319.09134	10.5
320.09091	5.0
321.11420	8.4
325.10226	2.6
334.10596	9.4
336.12347	5.0
339.12241	49.0
341.13831	28.8
351.12323	25.5
352.15128	3.2
353.13904	5.7
369.13281	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28539	0.9
59.90049	1.1
63.57332	1.1
64.18179	1.1
65.03957	1.5
65.24377	1.1
74.59700	1.1
79.05480	5.3
91.05486	3.0
93.03384	1.4
95.04967	1.4
103.05495	1.7
105.07015	8.1
107.04964	14.8
110.03618	2.2
111.04433	6.4
114.09167	2.4
115.05447	1.6
119.04929	3.2
123.04402	1.5
124.05168	2.2
125.05965	8.0
129.07018	6.3
131.04938	8.2
133.02895	2.0
133.06467	6.6
137.05948	12.2
145.06474	2.4
147.04410	9.2
149.05963	2.1
151.07542	2.1
152.04657	1.9
153.05446	22.2
159.08022	6.6
160.05136	1.4
161.05908	12.9
161.09610	2.6
163.07483	5.6
167.07024	100.0
172.05188	2.0
175.07506	21.2
175.51091	1.4
177.05486	2.9
179.07010	3.1
181.04967	3.2
187.07541	22.4
189.05458	5.9
189.08987	1.8
191.07010	13.9
199.07523	7.6
207.06519	7.0
209.08122	2.9
216.07819	2.2
217.08449	1.7
219.07974	4.4
220.08968	1.9
221.09602	2.9
233.09502	2.5
235.07666	2.0
236.08319	2.1
246.06676	2.2
247.07582	2.6
248.08095	1.8
249.09026	6.3
251.10701	6.0
259.07523	1.6
260.08212	1.8
261.09055	5.3
264.07895	2.3
265.08569	3.2
276.07758	8.0
277.08530	5.3
278.09317	2.9
279.10092	2.7
281.11661	6.1
289.08661	2.8
290.09363	2.4
291.10129	3.2
292.09891	5.7
293.11703	1.5
294.08954	1.8
307.09619	10.2
308.10422	5.6
309.07767	1.6
309.11197	5.9
319.09540	3.0
320.09036	10.6
321.09982	22.9
324.09756	1.9
334.10709	4.8
336.12268	74.1
339.12238	31.0
341.13837	25.1
351.12323	17.1
353.13773	14.9
369.13376	3.2
549.21606	2.2
567.21228	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2602
Annotation	Okaramine B
Peak:m/z	Relative Intensity
52.81024	0.7
57.95860	0.9
78.23701	0.9
93.07043	1.0
95.08614	0.9
101.69901	1.0
124.45911	1.0
130.51859	0.9
133.23778	0.9
276.60226	1.0
284.76413	0.9
314.12320	1.1
407.22446	2.0
421.20233	5.5
421.24881	1.5
433.23950	1.0
435.21445	11.5
448.22461	1.0
449.23315	1.6
450.24094	5.1
451.21414	1.2
465.23062	10.1
476.22070	9.2
477.26620	5.3
489.22769	1.2
493.25986	5.7
495.27472	5.9
503.24506	1.6
509.21872	3.8
521.25562	4.6
523.26648	11.4
537.24646	1.6
538.25690	4.1
539.26501	5.4
549.25299	7.9
567.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2949
Annotation	Chinentaxunine
Peak:m/z	Relative Intensity
56.24522	0.5
57.03449	0.7
77.65367	0.6
91.05494	1.0
93.89820	0.7
94.15221	0.6
95.04967	1.5
105.07029	1.2
107.04962	14.8
117.06988	0.9
120.83311	0.6
121.02066	0.6
131.08403	0.7
131.23424	0.6
133.06529	1.5
135.08054	100.0
137.38042	0.6
145.06509	2.4
145.10124	1.5
147.08026	1.0
161.09612	3.5
163.04532	0.5
173.09608	18.7
191.10652	3.8
196.09200	0.6
209.11714	25.0
233.25331	0.7
320.09174	0.9
341.17322	0.8
399.21524	5.6
483.37268	0.7
567.29529	28.5
567.38458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	18.5
56.33807	1.6
57.07082	22.9
64.00086	1.6
65.74228	1.7
67.05499	10.2
67.59328	1.7
69.07072	19.8
71.08289	2.1
71.08625	19.6
72.74886	1.7
79.05492	3.7
81.07056	18.6
83.08623	77.5
85.10188	12.6
89.46748	2.1
90.59770	2.1
95.08619	19.0
97.06512	3.6
97.10153	3.0
98.98479	4.5
101.61569	2.2
109.10154	4.5
111.08064	19.3
121.06469	2.6
129.09164	4.1
139.07541	24.5
155.01025	16.3
157.08574	13.1
163.99361	1.9
175.09654	13.2
206.87016	2.1
213.11217	24.8
283.05972	51.1
293.07870	3.7
297.07626	18.0
311.08673	2.3
313.27151	3.4
393.23840	3.2
406.93835	2.3
469.35187	100.0
549.31299	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	20.6
57.03436	4.0
57.29796	2.1
58.96686	1.9
66.11185	2.0
67.05522	25.3
69.07064	4.9
72.14701	2.1
79.05499	14.9
81.07066	26.7
82.89282	2.2
83.08628	10.5
89.02187	2.1
91.05494	4.8
93.07072	15.7
95.08617	26.6
97.10173	17.2
105.07034	12.5
107.08591	18.2
109.06509	3.1
109.10158	9.7
117.07078	7.5
119.08567	13.0
121.10149	10.4
123.08113	3.0
125.09653	15.9
129.07011	9.4
131.08578	12.8
133.10127	10.6
135.11729	3.1
141.07021	4.2
143.08592	17.5
145.10135	11.1
147.11707	4.8
149.13275	2.4
155.08545	11.6
157.10153	9.1
159.11670	10.1
169.10126	16.6
169.37196	2.2
171.11673	9.8
173.13219	2.8
181.10153	4.6
183.11752	19.0
185.13277	4.3
189.11366	3.8
195.11688	10.2
197.13283	12.4
199.14893	3.6
207.11577	3.4
209.13266	12.9
211.14792	4.2
221.13356	4.2
223.14830	4.6
235.14839	2.7
237.16228	3.1
292.09760	11.3
293.09888	9.7
294.11258	5.2
320.09332	9.4
321.09888	44.6
322.10367	29.5
323.11487	22.4
325.21378	2.9
327.23312	3.0
333.36063	2.4
336.12305	100.0
337.12616	87.1
337.21893	2.9
338.13818	67.7
381.28094	3.9
395.29459	11.3
495.34985	4.2
509.36429	5.0
513.37067	4.7
531.38428	10.2
549.27100	16.0
549.39288	33.2
567.21600	27.3
567.27527	37.6
567.40424	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
55.05514	9.6
57.03442	2.6
58.06588	1.8
67.05503	11.5
69.01199	1.6
69.07061	3.9
74.81884	1.9
76.62118	1.7
79.05492	12.3
81.07058	16.7
83.08613	9.7
88.69992	1.7
91.05489	4.8
93.07041	9.8
95.08594	16.5
97.06514	2.2
97.10175	11.0
105.07025	7.4
107.08606	10.7
109.10159	9.4
117.07021	4.1
119.08599	9.8
121.06544	2.2
121.10133	4.5
121.26981	1.7
125.09614	4.7
129.06967	4.1
131.08542	4.3
133.10130	8.9
135.08087	2.5
135.11700	2.2
141.06999	2.6
143.08508	7.1
145.10138	11.7
155.08563	8.4
157.10112	10.2
159.11688	4.3
167.08514	2.6
169.10130	14.5
171.11688	8.5
181.10088	4.7
183.11707	12.5
185.13165	2.8
193.57132	2.2
195.11693	10.0
195.13628	2.2
197.13268	4.7
199.15051	2.2
209.13353	3.3
211.14856	2.3
221.13287	2.5
292.09729	10.3
293.10089	3.7
294.11057	3.8
306.07483	3.3
313.21494	2.4
320.08994	13.8
321.09900	39.4
322.10400	17.4
323.11450	8.2
336.12280	100.0
337.12643	62.3
338.13858	26.9
395.29468	7.4
495.34756	2.6
501.20511	2.0
509.36301	3.9
531.38696	3.8
549.26404	12.0
549.39594	17.7
567.23712	24.6
567.26947	33.4
567.40405	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04059	0.2
56.46059	0.3
57.07072	0.3
64.51766	0.3
71.08640	0.3
72.04527	0.5
72.99286	0.3
87.85494	0.3
96.29333	0.2
102.09184	0.4
116.10753	0.5
124.26092	0.3
126.24420	0.3
178.59644	0.3
186.66525	0.3
239.99864	0.3
284.29471	100.0
357.07785	0.3
482.78937	0.3
519.71960	0.4
567.51532	0.5
570.30420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
91.78134	1.5
101.99250	1.6
121.32072	1.7
123.02454	1.8
151.77594	1.7
158.80626	1.8
284.29471	100.0
406.78967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67549	2.0
68.05024	3.2
76.02232	5.4
81.03413	10.6
84.04517	23.5
85.02902	9.4
95.09291	2.3
97.02886	47.3
98.06068	3.1
99.04459	14.4
109.02908	3.0
111.04427	2.4
114.05579	4.3
122.05987	2.4
127.03852	2.8
130.05002	29.8
131.01633	100.0
134.05992	4.7
136.03981	5.2
136.07642	3.8
142.03238	15.8
142.05020	5.7
154.04956	4.9
155.01627	32.1
156.04791	14.1
162.02237	3.6
162.05482	14.1
164.07025	22.0
174.05821	31.9
176.07057	5.0
177.05423	2.5
180.06514	5.5
185.02681	22.0
188.03745	3.1
192.06592	18.0
193.06068	3.1
194.08115	8.8
208.06046	71.8
208.08034	3.5
210.07597	4.5
211.07071	2.4
220.06020	3.8
226.07127	3.5
230.01775	2.7
238.07079	37.3
240.06885	33.8
256.08191	10.4
257.07968	2.7
260.05881	27.6
274.09204	50.8
277.08493	36.9
313.58160	2.3
334.60052	3.0
343.09421	4.9
388.10641	5.7
484.13895	42.9
514.15228	16.4
514.21875	2.5
532.15851	17.4
550.16974	32.0
568.17822	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15007	0.2
58.06617	2.3
72.25181	0.2
89.70160	0.3
116.45866	0.3
117.79337	0.3
137.37624	0.3
183.33615	0.3
207.06470	1.1
265.08658	0.4
280.09720	2.1
297.11270	0.5
308.09158	100.0
322.10574	1.3
470.14417	4.3
568.18085	35.3
568.25378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24100	0.2
84.89133	0.2
110.01099	0.2
112.61797	0.2
134.61591	0.3
137.59192	0.3
158.46909	0.2
194.45355	0.3
280.09647	2.9
306.07462	0.4
308.09149	100.0
320.09113	1.0
377.21332	0.3
470.14395	1.5
539.00269	0.3
568.18103	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53069	0.1
74.88268	0.1
83.05329	0.1
87.07143	0.1
91.77013	0.1
118.92567	0.1
143.85876	0.1
185.61418	0.1
206.60558	0.1
207.06622	0.1
258.08563	0.1
278.08054	0.2
280.09665	2.8
293.06985	0.1
306.07529	0.6
307.08411	0.5
308.09155	100.0
320.09058	0.2
322.10748	0.7
349.71463	0.1
470.14230	0.7
553.15277	0.1
554.52209	0.1
568.18115	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00504	0.3
59.32272	0.3
59.38300	0.3
65.03770	0.3
70.06606	0.5
70.58739	0.3
74.94234	0.4
225.39188	0.4
271.22824	0.4
280.09726	2.7
307.08490	0.7
308.09161	100.0
320.09171	4.1
334.10770	0.9
335.11185	0.6
470.14117	1.5
500.72778	0.4
568.17889	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24100	0.2
84.89133	0.2
110.01099	0.2
112.61797	0.2
134.61591	0.3
137.59192	0.3
158.46909	0.2
194.45355	0.3
280.09647	2.9
306.07462	0.4
308.09149	100.0
320.09113	1.0
377.21332	0.3
470.14395	1.5
539.00269	0.3
568.18103	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45885	0.2
72.64761	0.2
76.48980	0.2
105.50671	0.2
106.93531	0.2
112.82492	0.3
129.83267	0.2
220.09790	0.3
278.08273	0.3
280.09622	2.4
292.09274	0.3
307.08340	0.4
308.09155	100.0
320.09213	8.0
321.09421	0.5
322.10718	4.1
327.98026	0.3
332.09006	0.3
334.10648	0.9
335.10776	0.3
336.12131	0.4
337.12747	0.3
406.12512	0.4
470.14081	1.9
568.18005	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
62.39109	0.3
65.82337	0.3
72.29029	0.3
85.02874	0.7
89.22444	0.4
107.04962	4.5
123.04425	0.6
137.05975	1.8
149.05998	0.5
162.05504	2.1
163.03903	0.4
164.07053	100.0
165.06667	0.4
167.07018	0.5
167.09195	0.4
178.08755	1.2
190.08504	0.4
192.10231	0.9
208.09708	0.6
235.07512	0.5
253.08482	0.7
265.08655	0.8
277.08731	0.5
281.08374	0.5
282.11447	0.6
283.09653	0.8
291.56430	0.4
295.09637	1.5
297.11310	0.6
298.10739	3.8
299.11578	0.4
319.12119	0.4
389.14307	0.5
406.11563	0.7
406.16534	18.0
568.21710	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
62.39109	0.3
65.82337	0.3
72.29029	0.3
85.02874	0.7
89.22444	0.4
107.04962	4.5
123.04425	0.6
137.05975	1.8
149.05998	0.5
162.05504	2.1
163.03903	0.4
164.07053	100.0
165.06667	0.4
167.07018	0.5
167.09195	0.4
178.08755	1.2
190.08504	0.4
192.10231	0.9
208.09708	0.6
235.07512	0.5
253.08482	0.7
265.08655	0.8
277.08731	0.5
281.08374	0.5
282.11447	0.6
283.09653	0.8
291.56430	0.4
295.09637	1.5
297.11310	0.6
298.10739	3.8
299.11578	0.4
319.12119	0.4
389.14307	0.5
406.11563	0.7
406.16534	18.0
568.21710	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
62.39109	0.3
65.82337	0.3
72.29029	0.3
85.02874	0.7
89.22444	0.4
107.04962	4.5
123.04425	0.6
137.05975	1.8
149.05998	0.5
162.05504	2.1
163.03903	0.4
164.07053	100.0
165.06667	0.4
167.07018	0.5
167.09195	0.4
178.08755	1.2
190.08504	0.4
192.10231	0.9
208.09708	0.6
235.07512	0.5
253.08482	0.7
265.08655	0.8
277.08731	0.5
281.08374	0.5
282.11447	0.6
283.09653	0.8
291.56430	0.4
295.09637	1.5
297.11310	0.6
298.10739	3.8
299.11578	0.4
319.12119	0.4
389.14307	0.5
406.11563	0.7
406.16534	18.0
568.21710	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
62.39109	0.3
65.82337	0.3
72.29029	0.3
85.02874	0.7
89.22444	0.4
107.04962	4.5
123.04425	0.6
137.05975	1.8
149.05998	0.5
162.05504	2.1
163.03903	0.4
164.07053	100.0
165.06667	0.4
167.07018	0.5
167.09195	0.4
178.08755	1.2
190.08504	0.4
192.10231	0.9
208.09708	0.6
235.07512	0.5
253.08482	0.7
265.08655	0.8
277.08731	0.5
281.08374	0.5
282.11447	0.6
283.09653	0.8
291.56430	0.4
295.09637	1.5
297.11310	0.6
298.10739	3.8
299.11578	0.4
319.12119	0.4
389.14307	0.5
406.11563	0.7
406.16534	18.0
568.21710	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08765	0.6
62.61416	0.5
66.31331	0.6
81.07024	0.8
88.14707	0.6
121.06492	0.8
124.59388	0.7
147.04408	0.8
149.05965	5.6
151.07533	0.9
162.05492	0.9
174.05498	14.5
175.06227	1.2
176.07062	13.4
177.07857	2.5
178.08580	7.0
192.06551	17.3
194.08130	3.0
213.21141	0.7
215.10678	1.6
217.91924	0.8
229.07317	6.5
230.08136	1.2
271.09659	1.2
292.09650	0.8
316.16724	1.1
320.09265	0.9
321.09937	3.9
324.08536	1.6
324.19489	1.4
325.09576	0.8
328.11691	1.4
329.17496	1.0
334.10611	1.2
336.12241	8.3
337.13300	0.6
338.13849	4.4
340.18994	4.7
351.15640	0.8
356.11240	12.8
358.20190	3.8
368.18497	5.6
386.19598	40.3
522.24615	1.0
568.25330	100.0
572.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08765	0.6
62.61416	0.5
66.31331	0.6
81.07024	0.8
88.14707	0.6
121.06492	0.8
124.59388	0.7
147.04408	0.8
149.05965	5.6
151.07533	0.9
162.05492	0.9
174.05498	14.5
175.06227	1.2
176.07062	13.4
177.07857	2.5
178.08580	7.0
192.06551	17.3
194.08130	3.0
213.21141	0.7
215.10678	1.6
217.91924	0.8
229.07317	6.5
230.08136	1.2
271.09659	1.2
292.09650	0.8
316.16724	1.1
320.09265	0.9
321.09937	3.9
324.08536	1.6
324.19489	1.4
325.09576	0.8
328.11691	1.4
329.17496	1.0
334.10611	1.2
336.12241	8.3
337.13300	0.6
338.13849	4.4
340.18994	4.7
351.15640	0.8
356.11240	12.8
358.20190	3.8
368.18497	5.6
386.19598	40.3
522.24615	1.0
568.25330	100.0
572.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69005	1.8
55.05501	1.8
64.07465	1.8
67.05492	9.0
68.34547	2.1
69.03410	2.0
69.07070	4.0
71.09023	1.9
81.07071	4.2
83.08597	2.9
85.02903	4.3
92.21550	2.2
93.07053	4.6
95.08624	4.5
105.07027	4.0
107.08590	8.3
109.10132	25.9
112.97584	1.8
114.40137	2.2
119.08566	2.2
121.06516	3.9
121.10175	3.7
123.11710	5.0
123.35709	2.0
149.05978	4.8
159.04472	2.6
161.05966	9.7
165.82907	2.0
173.06021	3.2
175.03857	9.4
175.07507	4.0
177.25121	2.1
181.04910	3.1
184.07411	3.8
187.03917	10.1
187.07578	4.7
189.05446	2.6
189.09074	14.7
193.04962	26.5
195.06541	5.1
201.05490	3.7
201.09167	4.9
203.06989	3.6
203.10614	22.6
205.04950	3.0
213.09050	5.2
215.06998	4.8
215.10606	3.3
217.12233	9.1
221.08150	2.5
227.06953	2.5
229.08655	4.3
231.10103	9.0
233.07962	4.2
235.09747	3.8
239.00339	2.4
241.08624	3.4
243.13803	7.0
247.09651	3.4
249.11192	100.0
255.13815	3.9
257.15356	9.8
261.11072	3.9
269.15341	30.8
269.30652	2.3
271.13400	3.9
273.11221	2.3
287.16373	12.6
289.14322	10.9
297.15155	7.1
301.14819	2.7
303.15836	4.2
304.05994	3.8
315.15869	41.4
318.07828	4.5
319.08356	21.4
320.08932	16.5
321.09738	4.0
322.10614	2.9
323.11374	8.8
325.21591	31.8
334.10760	45.6
336.12198	27.8
337.12869	5.0
338.13531	21.7
353.21201	12.0
371.22104	43.0
568.20837	15.1
568.28131	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.6
65.28189	1.5
67.05505	4.0
69.07069	10.2
71.05605	1.4
76.11005	1.9
81.07058	3.7
83.08613	3.3
84.14565	1.6
85.02921	3.6
86.09676	2.0
93.07019	3.8
95.08601	7.2
104.10789	2.4
105.07029	1.9
107.08597	4.2
109.10164	25.5
119.08553	3.2
121.10180	3.7
123.11695	8.1
133.31055	1.6
135.11653	1.9
137.13324	2.2
149.05984	10.6
159.04388	2.9
161.05980	9.4
175.03900	7.6
175.07559	3.7
177.05444	2.4
179.07031	1.9
181.04961	2.2
184.07286	3.7
185.09660	2.6
187.03963	1.9
187.07523	7.6
187.11211	2.2
189.05536	2.4
189.09097	10.3
193.04922	24.4
199.07491	4.1
201.05519	4.0
201.09099	6.3
203.06978	2.0
203.10616	12.4
205.12137	2.2
207.06511	3.0
213.09032	7.6
215.10663	3.4
217.08578	3.4
217.12343	2.6
219.06564	2.4
221.08133	2.9
222.79521	1.9
227.10687	3.8
229.08582	6.7
229.12354	1.9
231.10202	9.0
233.08075	7.9
243.13831	9.0
245.08105	2.3
247.09766	3.2
249.11201	100.0
251.23863	1.8
255.13678	2.4
257.15350	3.1
261.11273	2.8
269.15378	34.3
271.13434	3.5
275.12738	2.0
287.16403	11.0
289.14319	9.5
290.08102	3.1
297.14807	8.9
303.15915	3.1
304.06042	3.2
315.15924	34.9
318.07660	3.7
319.08365	21.7
320.09088	15.3
323.11310	7.0
325.21643	25.9
334.10745	41.2
335.10947	2.8
336.12262	23.4
337.12628	3.6
338.13702	23.5
353.21005	11.8
371.22171	34.7
411.16367	7.1
427.25424	1.8
550.27637	3.9
568.19220	12.9
568.27850	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37646	0.9
64.58604	0.7
67.05489	0.9
69.03405	0.9
69.07069	6.3
73.26125	0.8
76.87651	0.9
81.07054	3.7
82.57483	0.8
83.58846	1.0
85.02911	1.8
93.07034	2.0
107.08579	2.1
109.10148	4.7
119.08578	0.9
121.06502	4.9
135.11705	1.9
149.05968	7.2
151.03883	1.0
161.05966	1.7
161.09563	1.0
175.03870	5.7
175.07524	1.5
177.05518	2.0
177.09207	1.0
184.07347	1.8
185.09540	3.5
187.07529	2.1
187.11197	4.5
189.09120	8.8
193.04945	23.4
199.07632	1.5
201.05409	3.8
201.09106	1.6
203.10683	2.1
205.08696	1.0
213.09138	5.7
215.07024	4.6
217.08549	1.0
219.06517	1.4
221.07977	1.1
227.07016	1.3
229.08597	4.3
231.10077	8.3
233.08093	2.2
241.08492	1.1
241.15785	1.5
243.13728	6.3
247.09618	3.9
249.11203	100.0
255.13953	1.8
257.11829	1.9
257.15341	7.7
259.09711	1.2
261.11362	1.0
269.15311	14.7
271.13309	6.4
275.12872	3.8
282.36850	1.0
285.14832	2.1
286.15921	1.0
287.16479	5.9
289.14334	11.9
297.14801	5.0
303.16003	8.5
308.08749	1.2
315.15845	15.2
318.07486	2.0
319.08389	5.6
320.09155	4.9
325.21796	3.3
334.10718	11.4
336.12308	2.3
353.21005	4.0
371.22092	14.3
406.44720	1.0
442.88535	1.1
451.19656	6.6
477.52789	1.0
525.63495	1.0
568.19647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37468	0.5
62.50198	0.6
89.57381	0.6
95.04946	3.9
97.57533	0.6
119.04945	15.4
121.06468	1.0
123.04430	23.4
147.04414	13.4
165.05472	9.8
207.29414	0.7
247.48172	0.6
320.09000	4.1
321.09619	0.8
322.10635	2.8
323.11420	6.1
324.11844	1.3
334.10788	1.4
336.12195	4.2
337.12637	1.5
338.13791	18.5
339.14038	3.2
340.14600	2.7
340.26294	1.5
358.27411	0.7
368.25858	22.1
386.26910	68.1
395.12421	1.1
404.27960	36.0
532.30414	4.1
550.31854	24.0
568.32977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46719	7.1
54.83917	8.9
55.05524	36.5
56.38383	8.5
56.43651	6.3
57.07087	13.8
60.08739	7.2
64.58784	9.1
67.05508	66.1
69.03429	38.0
69.07063	44.4
71.08645	12.8
76.62003	8.5
79.05512	75.5
81.03416	48.9
81.07053	100.0
83.05006	11.8
83.08648	11.5
85.02901	19.4
89.64758	8.9
91.05461	99.5
93.07035	92.8
95.04991	34.4
95.08609	84.8
105.07047	97.2
107.08597	60.6
109.02812	9.0
109.06474	11.3
109.10162	17.2
113.28621	8.3
117.07029	38.6
119.08575	91.8
121.06469	9.9
121.10129	45.0
123.11728	12.6
127.03934	11.4
128.06198	9.0
129.07010	52.0
131.08598	82.4
133.10121	69.4
135.08124	12.4
135.11693	20.2
143.08582	37.8
145.10118	61.3
147.08031	11.3
147.11688	38.9
149.09644	12.8
149.13220	13.5
155.08604	14.1
157.10144	45.6
159.11696	16.4
161.13219	14.5
169.10164	20.3
171.11641	38.1
175.07555	9.4
175.14850	11.5
181.10063	12.6
185.13263	17.9
187.14885	14.8
189.12660	9.6
189.16454	11.4
201.16382	11.2
203.18004	54.0
213.16458	9.5
227.53026	9.2
269.22815	12.6
281.22870	9.2
285.22046	20.2
287.23663	21.3
395.25711	19.0
413.26791	43.5
431.27896	53.6
449.28403	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99122	9.5
54.53196	8.3
89.81223	9.0
93.07076	12.6
95.04976	16.7
105.07018	26.3
107.08585	22.5
117.07027	11.9
119.08570	66.6
121.10184	15.6
131.08612	20.4
133.10089	52.4
145.10112	62.9
147.11629	12.9
148.89526	12.9
157.10156	14.1
159.11653	15.8
171.11641	14.5
172.89461	12.1
183.11700	12.6
185.13274	12.8
209.13310	13.6
250.25801	11.9
299.18314	10.8
338.26035	15.1
476.36670	20.9
568.42261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	17.9
57.63595	7.3
71.08632	36.5
86.51445	8.5
89.06031	100.0
109.10191	9.2
116.41673	7.6
133.08560	11.0
133.82578	8.4
148.60948	8.1
171.78340	9.7
186.29961	8.9
309.16660	9.8
482.10590	8.4
551.44855	49.3
568.48431	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1443
Annotation	2,3-Dihydroisoginkgetin
Peak:m/z	Relative Intensity
51.52899	0.7
53.07111	0.5
58.52953	0.6
71.08633	1.0
91.05476	1.1
98.98477	1.1
155.01132	2.8
202.42802	0.9
222.08261	0.8
253.08495	0.9
271.06000	0.9
279.87006	0.9
283.05997	100.0
326.02881	0.8
407.25476	0.8
524.04919	0.8
532.24573	0.8
543.89404	0.9
569.14331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
69.03437	1.3
81.03414	3.1
85.02921	1.8
91.05447	4.8
97.02924	1.6
99.04452	30.6
109.02860	2.0
119.04928	17.4
127.03927	1.5
147.04401	22.5
165.88037	1.3
175.03885	70.1
192.99474	1.6
207.06512	100.0
222.02170	1.4
225.07570	7.4
273.07446	1.6
291.12238	5.1
319.08374	2.7
320.09048	2.3
321.09457	1.6
333.09473	1.7
334.10675	9.6
351.10678	1.8
376.06982	1.5
569.21167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
67.27717	0.6
67.63072	0.6
77.03897	0.7
81.03423	3.1
85.02873	2.5
85.05302	0.7
85.06563	0.9
91.05492	3.2
99.04461	15.2
104.18023	0.6
104.75144	0.7
116.19164	0.6
118.61257	0.7
119.04941	13.8
145.56456	0.6
147.03334	0.9
147.04425	15.7
157.03931	0.7
175.03899	61.8
179.07104	1.0
207.06520	100.0
231.06532	3.7
282.53900	0.7
290.08047	1.0
315.08566	2.8
318.07703	2.5
319.08304	5.9
320.08932	1.4
333.09824	1.1
334.10687	9.8
335.11060	1.4
430.55893	0.7
467.15533	1.5
569.19037	3.2
569.29004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95950	0.3
58.06567	0.6
91.39941	0.4
103.99264	0.3
104.13759	0.3
164.07007	0.6
168.92953	0.4
176.07068	5.8
255.91331	0.4
283.44553	0.4
292.09674	9.1
304.09583	1.5
306.07501	2.3
309.09152	0.4
320.09189	14.4
321.09964	32.7
336.12302	100.0
569.26599	55.9
585.52631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2645
Annotation	Bismorphine B
Peak:m/z	Relative Intensity
58.97009	0.4
78.40691	0.4
81.87982	0.4
108.71581	0.4
109.31800	0.4
111.24007	0.4
111.37905	0.4
114.87836	0.4
131.42438	0.4
164.06989	0.6
176.07025	4.8
180.69724	0.4
292.09631	7.8
304.09543	0.6
306.07529	2.4
320.09146	10.2
321.09937	32.3
322.10400	0.6
334.10617	0.8
335.11252	0.9
336.12274	100.0
527.27661	0.5
569.26489	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2644
Annotation	Bismorphine B
Peak:m/z	Relative Intensity
50.26340	0.4
57.35132	0.4
57.87928	0.4
63.59399	0.4
66.35763	0.4
81.99178	0.4
100.55556	0.4
129.42558	0.4
154.35390	0.5
164.07014	0.7
176.07050	5.3
281.16150	0.5
292.09671	10.0
304.09665	0.5
306.07654	3.4
320.09186	10.2
321.06152	0.7
321.09952	28.4
336.12277	100.0
569.26471	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00281	0.1
61.85833	0.2
85.87159	0.2
88.33364	0.2
156.07820	0.2
160.72374	0.2
164.06978	1.0
176.07074	6.9
292.06503	0.4
292.09637	8.5
304.09610	1.5
306.07602	2.8
320.09189	10.1
321.09946	29.2
336.12286	100.0
360.72260	0.2
411.24615	0.2
569.26483	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2756
Annotation	CHEBI:68372
Peak:m/z	Relative Intensity
52.92531	1.5
66.97673	1.3
81.07078	2.0
83.08613	1.3
90.16971	1.6
95.08604	2.1
105.07035	1.6
121.10185	1.5
261.59329	1.5
287.18436	1.5
287.78198	1.6
384.54257	1.5
409.23865	6.6
421.20209	2.8
423.21890	7.1
435.22025	2.7
437.23471	1.6
462.01749	2.1
469.26089	2.6
480.21341	1.6
481.21783	3.1
495.23874	2.6
508.25134	1.6
509.25858	16.7
529.44849	1.4
541.28137	7.7
551.26508	2.8
569.27618	100.0
569.36163	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	18.1
75.27035	4.0
76.53939	4.3
79.05486	6.9
81.03403	6.5
81.07053	7.9
85.02896	63.6
87.00830	31.2
93.07034	9.3
95.08591	7.0
97.02886	21.5
99.04441	4.6
105.01862	27.5
105.07030	5.3
106.18387	4.5
109.02878	22.3
109.10188	4.9
114.37799	4.1
121.10120	5.6
127.03895	39.9
131.08609	5.1
143.08563	8.2
145.04959	8.6
145.10123	17.7
147.11731	6.8
149.13327	5.2
157.10083	10.7
159.11710	6.4
171.11749	4.5
173.13263	5.4
176.07068	6.3
187.14699	5.9
197.13280	20.7
199.14806	10.8
211.14864	17.2
231.05080	5.8
239.11914	4.5
253.19475	90.0
260.88556	4.4
271.20593	48.5
285.22113	36.6
303.23297	10.4
320.09290	8.9
321.09811	16.5
322.10114	6.0
329.09573	4.6
336.12286	49.4
337.12656	10.2
338.13760	8.1
339.13898	6.2
409.84290	4.8
468.95599	4.6
506.62683	5.7
569.29553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
57.03428	3.2
57.07090	35.3
58.21781	1.7
67.05500	7.2
67.14671	1.6
69.07076	3.6
71.08633	28.1
75.06131	1.8
75.06593	1.4
77.98372	1.5
81.03416	8.6
81.07073	15.4
83.08627	8.3
85.10184	18.5
85.96435	1.6
95.08598	20.8
97.10158	4.0
98.94560	1.5
98.97837	3.0
98.98463	69.1
107.50588	1.6
109.02856	3.7
109.10139	10.6
115.19476	1.8
123.11747	2.9
155.01038	100.0
186.11096	2.2
221.36650	2.1
232.90584	1.8
242.24559	1.9
253.25256	2.2
265.79987	2.0
317.06168	4.5
327.28961	69.5
327.32922	2.4
372.91733	2.2
407.25354	13.3
415.30450	7.4
529.07330	2.2
551.29541	8.7
569.30914	3.2
569.44635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	2.6
55.05510	14.7
55.85812	2.3
57.03450	2.5
57.07079	3.4
67.05517	31.0
69.03419	4.9
69.06697	4.2
69.07072	100.0
69.58628	1.8
71.04999	2.6
79.05495	21.0
81.03419	14.0
81.07064	32.5
83.04978	2.8
83.08626	9.0
85.02907	5.5
85.85777	2.2
91.05489	14.8
93.07046	32.6
94.88657	1.9
95.04965	4.8
95.08613	27.7
97.02878	3.6
97.06532	3.8
99.04442	3.3
105.07047	16.4
107.08588	22.7
109.02876	2.8
109.06502	2.4
109.10147	14.9
111.04484	2.5
111.11713	36.6
117.07019	11.5
119.08547	21.4
121.06467	4.1
121.10125	16.8
122.34057	2.1
123.08100	3.1
123.11657	2.6
127.03909	2.6
129.06918	4.7
129.12762	30.8
131.08574	12.2
133.10075	16.6
135.08035	5.2
135.11684	12.9
136.89655	2.3
143.08551	4.7
145.10112	20.1
147.08040	3.2
147.11638	12.8
149.09644	3.2
149.13231	2.7
155.52524	2.2
157.10103	10.4
159.11699	10.9
161.13269	5.1
167.37323	2.1
169.10176	2.8
171.11691	5.1
173.13275	5.4
179.96550	2.4
183.11571	3.2
185.13257	3.0
199.11180	2.6
242.24773	3.9
261.22064	2.6
273.18634	3.0
279.23242	3.6
301.21655	2.5
303.23013	3.4
369.24063	5.1
387.25348	12.1
405.26233	11.1
413.30914	2.3
423.27328	3.2
503.96594	2.7
551.40863	3.4
569.41534	23.6
569.51215	4.9
586.89429	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58277	2.0
55.01871	2.1
55.05518	16.5
57.03444	2.2
59.28352	1.7
67.05515	28.1
69.07077	20.6
71.05000	2.3
72.08248	1.6
72.62508	2.2
76.48400	1.6
79.05492	20.9
81.07061	36.2
83.04982	2.6
83.08612	12.9
87.41720	1.6
91.05470	17.8
93.07045	29.6
95.05016	3.4
95.08609	29.7
95.53611	1.7
97.06573	7.0
97.10173	11.3
105.07037	26.5
105.25970	1.9
107.08580	20.4
108.89166	2.1
109.06552	3.3
109.10164	15.4
117.07020	11.8
119.08561	21.5
121.10162	19.6
123.08076	3.0
123.11756	3.8
125.09644	8.3
129.07047	4.5
131.08566	21.1
133.10135	24.8
135.11739	7.1
137.09578	2.3
143.08566	13.6
145.10117	23.4
147.11673	14.8
149.13223	2.4
155.08572	2.9
157.10106	18.7
159.11658	19.4
161.13321	7.9
163.11256	2.7
169.10149	9.4
171.11729	11.8
173.13322	9.6
175.14917	2.5
181.10117	2.5
183.11755	11.3
185.13315	7.4
187.14928	2.5
191.32547	2.0
197.13312	9.9
199.14850	7.7
209.13274	3.3
211.14818	2.3
223.14964	3.3
249.18594	2.5
257.19019	3.8
259.20535	2.1
275.20047	18.1
277.21909	3.8
303.23242	2.2
312.35901	2.0
336.12622	2.3
383.29697	3.8
397.31207	3.1
458.71835	2.0
497.36581	3.3
515.39038	2.8
533.40076	9.2
551.41077	38.7
569.42126	100.0
595.23505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.6
55.05519	40.0
67.05508	77.6
68.62533	7.2
69.07066	35.4
79.05490	57.0
81.07071	95.5
83.08617	33.0
91.05489	47.5
93.07056	69.5
95.04994	12.1
95.08615	67.7
97.10154	11.8
105.07032	49.1
107.08605	67.2
109.06516	12.4
109.10164	12.0
117.07042	33.1
119.08592	68.1
121.10139	47.3
129.07130	8.5
131.08563	46.6
133.10141	62.2
135.08041	13.5
135.11688	16.6
143.08597	13.9
145.10158	53.8
147.11719	49.5
153.01730	8.7
153.63110	9.7
157.10152	10.0
158.26463	7.2
159.11699	17.6
161.13237	8.9
162.90341	9.0
169.10152	11.3
171.11682	17.7
173.13289	12.3
183.11685	16.9
185.13293	8.3
189.69504	7.1
199.14755	11.6
209.13336	7.9
211.14650	10.3
246.79974	8.7
259.20547	15.8
275.20166	61.9
293.21036	8.5
533.39502	12.3
551.40753	45.9
569.42090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34994	0.3
53.36270	0.3
56.74759	0.3
57.35947	0.3
103.26163	0.3
263.65866	0.4
276.06799	0.5
290.08142	7.9
302.08124	3.2
304.06046	9.8
318.07599	11.2
318.11102	0.6
319.08401	43.8
320.09079	1.5
334.10745	100.0
335.11273	0.6
336.12259	2.7
463.92087	0.4
464.11035	0.4
570.21088	11.2
570.28857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20698	1.7
75.68336	2.0
81.40228	2.0
87.47917	2.3
135.19122	1.7
162.96872	1.9
201.18201	2.2
221.28220	2.2
282.16946	1.9
290.07980	4.1
304.05939	4.5
306.07309	2.1
318.07639	8.9
319.08362	37.9
320.09259	17.7
334.10733	73.6
367.25851	2.6
377.50812	2.1
426.09479	3.4
428.11389	4.0
433.33401	2.2
456.14084	2.8
478.16559	2.3
537.17908	2.7
544.64276	2.6
549.93170	2.2
553.09149	2.3
570.21143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11922	0.8
58.06602	2.4
69.03423	1.7
70.06593	1.3
73.49528	1.0
76.49429	0.9
81.03433	1.8
84.04526	1.2
85.02904	2.2
87.04478	1.4
90.15251	1.1
91.05463	5.2
93.07114	1.0
97.02885	2.3
98.06054	6.7
99.04458	5.4
109.02891	1.3
116.07092	2.0
117.03396	1.1
119.04942	17.6
123.05607	1.0
130.53339	1.1
137.06006	2.1
142.08623	2.3
145.02841	18.0
147.04396	29.0
149.05956	1.5
157.03944	1.1
162.02168	1.3
175.03899	97.0
176.06978	1.2
177.05466	30.9
179.06938	1.5
194.08089	1.1
201.05470	1.9
206.09920	1.0
207.06531	100.0
246.15077	1.1
321.06717	1.2
325.10944	1.2
364.11771	1.6
364.16022	13.4
373.12711	6.2
388.57773	1.2
515.32050	1.0
535.17902	2.2
547.11407	1.2
570.21716	78.2
576.50433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11922	0.8
58.06602	2.4
69.03423	1.7
70.06593	1.3
73.49528	1.0
76.49429	0.9
81.03433	1.8
84.04526	1.2
85.02904	2.2
87.04478	1.4
90.15251	1.1
91.05463	5.2
93.07114	1.0
97.02885	2.3
98.06054	6.7
99.04458	5.4
109.02891	1.3
116.07092	2.0
117.03396	1.1
119.04942	17.6
123.05607	1.0
130.53339	1.1
137.06006	2.1
142.08623	2.3
145.02841	18.0
147.04396	29.0
149.05956	1.5
157.03944	1.1
162.02168	1.3
175.03899	97.0
176.06978	1.2
177.05466	30.9
179.06938	1.5
194.08089	1.1
201.05470	1.9
206.09920	1.0
207.06531	100.0
246.15077	1.1
321.06717	1.2
325.10944	1.2
364.11771	1.6
364.16022	13.4
373.12711	6.2
388.57773	1.2
515.32050	1.0
535.17902	2.2
547.11407	1.2
570.21716	78.2
576.50433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90648	0.8
70.06600	2.2
72.08169	1.1
81.03427	4.4
85.02896	5.5
86.09710	1.3
91.05490	1.7
99.04455	4.9
105.06989	1.3
117.03362	4.3
119.04922	7.7
121.06511	10.4
131.04967	1.2
133.02823	15.1
133.06520	1.9
137.05963	18.6
145.02846	32.6
147.04408	20.7
148.04816	1.7
149.05968	8.0
149.51897	1.0
150.06798	4.7
150.09164	5.7
151.07567	1.2
161.02356	2.0
161.05942	6.7
162.06778	5.4
164.07013	1.3
165.05469	4.6
175.03868	16.1
177.05449	100.0
179.07033	1.6
193.08603	2.3
201.05450	49.6
203.06935	1.4
203.91714	1.1
207.06654	1.9
213.05443	2.7
215.06999	2.1
229.08598	1.4
231.06406	1.2
246.14818	1.3
257.08115	1.3
265.08618	2.6
277.08539	4.5
290.05743	1.3
293.08051	2.0
305.08041	6.3
307.09668	4.0
308.09174	4.1
310.09766	2.2
321.09851	1.3
325.10690	10.4
337.10571	5.4
355.11816	26.7
432.15457	1.1
469.14777	2.4
487.15784	4.6
517.16943	4.8
570.17212	4.9
570.28119	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19095	0.9
60.04535	75.4
70.02960	6.3
72.85660	1.1
77.78555	1.0
83.06113	1.3
84.04508	53.3
85.02908	2.2
85.57777	1.1
87.05598	1.8
96.04491	1.8
98.06063	1.4
101.07146	2.7
105.06640	2.2
113.45262	1.2
115.05042	11.9
120.08111	15.8
124.03974	1.5
125.07109	5.5
126.05523	100.0
133.13138	1.2
138.05502	23.5
139.79561	1.0
143.04506	1.5
144.06581	2.9
147.64671	1.1
157.06088	14.4
164.07109	1.1
166.08644	2.8
167.04445	2.5
168.06612	7.3
174.08746	1.7
185.05605	11.3
186.07616	5.1
188.26295	1.3
200.07089	9.7
202.08257	18.4
204.08669	22.5
217.09760	1.9
221.11293	2.5
246.07635	4.8
258.56729	1.2
263.10327	1.6
304.12979	12.1
332.12402	1.8
349.15152	1.5
350.13364	15.5
367.16165	31.2
405.16180	9.1
450.19836	2.0
537.86835	1.2
570.24176	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19095	0.9
60.04535	75.4
70.02960	6.3
72.85660	1.1
77.78555	1.0
83.06113	1.3
84.04508	53.3
85.02908	2.2
85.57777	1.1
87.05598	1.8
96.04491	1.8
98.06063	1.4
101.07146	2.7
105.06640	2.2
113.45262	1.2
115.05042	11.9
120.08111	15.8
124.03974	1.5
125.07109	5.5
126.05523	100.0
133.13138	1.2
138.05502	23.5
139.79561	1.0
143.04506	1.5
144.06581	2.9
147.64671	1.1
157.06088	14.4
164.07109	1.1
166.08644	2.8
167.04445	2.5
168.06612	7.3
174.08746	1.7
185.05605	11.3
186.07616	5.1
188.26295	1.3
200.07089	9.7
202.08257	18.4
204.08669	22.5
217.09760	1.9
221.11293	2.5
246.07635	4.8
258.56729	1.2
263.10327	1.6
304.12979	12.1
332.12402	1.8
349.15152	1.5
350.13364	15.5
367.16165	31.2
405.16180	9.1
450.19836	2.0
537.86835	1.2
570.24176	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87140	0.3
53.00066	0.3
54.25872	0.3
55.36544	0.3
58.73543	0.4
58.79020	0.3
67.06532	0.3
85.02887	1.5
88.93699	0.4
97.70713	0.4
105.19820	0.4
106.72088	0.4
118.92273	0.4
129.06985	2.6
131.08539	3.5
137.05930	0.5
141.07002	1.5
143.04961	0.5
145.06538	0.4
157.06476	6.2
159.08031	6.8
160.05254	0.7
169.06451	1.5
173.09549	0.4
174.06752	4.6
175.07524	2.8
177.05420	0.5
186.06714	0.7
188.08179	0.5
189.09097	28.3
191.10655	4.0
201.09071	8.7
207.10187	0.5
219.10144	100.0
237.11296	2.7
237.13318	0.4
308.09329	0.8
310.09631	0.5
484.57352	0.4
570.18958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
56.88142	1.4
58.06594	7.0
61.02935	19.8
67.05496	3.3
69.03416	6.3
69.07049	3.2
69.50392	1.3
73.02924	9.3
74.09408	1.5
81.03407	3.7
81.07053	2.8
83.05006	2.6
83.08627	3.8
84.90012	1.3
85.02908	59.5
85.44633	1.6
86.06067	2.1
91.03953	31.5
91.05466	2.2
93.07045	6.8
95.08607	21.1
97.02890	20.9
98.06086	2.2
99.04448	7.3
99.08095	2.8
105.07022	7.4
107.08570	3.0
109.02849	2.2
109.10149	11.0
115.03930	2.3
119.08594	31.1
121.10156	6.5
123.11690	3.2
127.03915	22.0
133.10118	29.3
135.11742	11.9
137.09631	39.5
138.45767	1.6
144.08078	7.1
145.04935	16.9
145.08449	1.9
147.04413	2.9
163.06017	25.5
164.07076	3.2
175.04045	2.0
175.14815	100.0
176.07101	2.3
177.05429	2.2
193.15875	34.9
194.08194	3.8
211.16911	18.6
217.09752	2.6
248.11520	2.2
325.11176	11.0
330.48801	1.7
355.21176	6.2
370.52148	1.7
570.19122	2.5
570.27100	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
56.88142	1.4
58.06594	7.0
61.02935	19.8
67.05496	3.3
69.03416	6.3
69.07049	3.2
69.50392	1.3
73.02924	9.3
74.09408	1.5
81.03407	3.7
81.07053	2.8
83.05006	2.6
83.08627	3.8
84.90012	1.3
85.02908	59.5
85.44633	1.6
86.06067	2.1
91.03953	31.5
91.05466	2.2
93.07045	6.8
95.08607	21.1
97.02890	20.9
98.06086	2.2
99.04448	7.3
99.08095	2.8
105.07022	7.4
107.08570	3.0
109.02849	2.2
109.10149	11.0
115.03930	2.3
119.08594	31.1
121.10156	6.5
123.11690	3.2
127.03915	22.0
133.10118	29.3
135.11742	11.9
137.09631	39.5
138.45767	1.6
144.08078	7.1
145.04935	16.9
145.08449	1.9
147.04413	2.9
163.06017	25.5
164.07076	3.2
175.04045	2.0
175.14815	100.0
176.07101	2.3
177.05429	2.2
193.15875	34.9
194.08194	3.8
211.16911	18.6
217.09752	2.6
248.11520	2.2
325.11176	11.0
330.48801	1.7
355.21176	6.2
370.52148	1.7
570.19122	2.5
570.27100	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92980	0.2
53.64701	0.2
58.06600	0.2
60.08170	5.8
60.18249	0.2
69.59857	0.2
71.07358	1.1
71.45082	0.2
75.46534	0.2
81.07063	0.5
84.40150	0.3
86.09710	25.5
91.05506	0.3
95.08600	0.3
98.98446	1.2
103.91220	0.3
104.10768	2.4
125.00002	13.7
134.60550	0.3
145.10068	0.3
145.32622	0.3
154.12224	0.3
155.01039	0.4
160.06030	0.6
178.38162	0.3
184.07343	100.0
230.24713	0.5
320.09277	2.1
343.43140	0.3
449.34332	0.3
523.46985	0.3
552.34698	1.4
554.18768	0.3
570.26990	0.6
570.35614	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70087	0.4
56.05043	1.2
58.06606	0.6
60.08170	14.7
60.59188	0.5
61.94770	0.5
67.05500	0.8
67.69315	0.5
69.03149	0.4
71.07359	3.0
72.49812	0.5
79.05499	0.8
81.07063	0.9
82.95380	0.5
85.16422	0.5
86.09711	40.8
87.74202	0.6
91.05498	0.9
93.07044	0.8
95.08640	0.7
96.13684	0.6
98.98462	1.1
104.10751	79.5
105.07088	0.6
122.92583	0.6
125.00008	19.4
134.65147	0.7
135.23727	0.5
140.11900	0.5
141.03107	0.5
142.08662	2.2
160.09723	1.1
163.01576	0.6
184.07343	100.0
208.87996	0.5
298.14795	0.7
334.11044	0.7
552.34644	4.5
570.35553	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80075	1.8
51.07246	1.9
53.03958	2.3
55.01867	2.5
55.05516	5.3
57.07070	2.7
58.06609	2.6
67.05506	18.7
68.05843	2.5
69.03410	2.8
69.07072	10.7
70.02930	2.7
71.04980	3.6
72.04521	5.9
74.06073	21.6
79.05492	12.5
81.03419	24.7
81.07048	22.3
83.04977	5.4
83.08627	9.6
84.04518	12.2
86.06046	8.1
91.05472	18.6
93.07034	16.3
94.06588	2.6
95.04980	4.4
95.08597	21.9
96.04498	5.9
98.06133	2.5
99.04462	38.2
100.03986	5.8
101.97448	2.8
105.07029	14.5
107.08581	12.5
109.02895	3.7
109.10139	5.6
112.03951	19.6
114.05518	22.1
117.05482	12.6
119.08576	11.8
121.06483	9.3
121.10152	10.5
122.06013	2.6
123.11681	3.2
125.09708	3.3
130.05040	2.8
131.08508	4.9
133.10138	9.9
135.11752	3.6
138.05528	3.1
145.10152	8.7
147.11674	3.8
154.08646	5.2
156.06604	2.8
157.10172	2.7
158.08189	3.3
159.11665	3.5
168.06544	11.3
170.08064	2.8
172.09660	3.9
173.13252	3.0
178.99870	2.5
182.08110	13.7
185.13263	2.6
186.07745	7.0
190.49068	2.4
200.09155	10.8
249.56821	2.6
262.25266	3.4
275.20313	3.0
280.26337	3.1
292.26175	2.8
310.27286	2.9
325.57001	2.4
334.10690	10.7
365.31976	2.7
454.31610	30.1
552.35016	85.2
570.35858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
55.54454	0.4
56.05039	3.1
67.05506	2.0
67.54644	0.4
68.05008	0.5
69.07072	1.2
69.10229	0.4
76.95864	0.4
79.05484	0.5
91.05446	0.5
93.07045	1.0
95.08602	2.3
97.10172	0.9
107.08611	0.8
109.10149	7.1
111.08117	0.4
111.11716	0.6
119.08606	0.8
124.11206	0.7
125.09606	0.9
136.11249	0.8
137.09615	2.3
138.28456	0.4
149.13231	0.7
152.47537	0.5
153.13849	4.6
154.12271	100.0
166.15843	0.6
170.11794	2.0
171.14922	47.8
172.13374	1.8
173.11662	0.9
210.18544	12.8
212.16519	1.0
233.49838	0.5
290.08090	1.2
304.06070	0.9
305.22238	2.4
306.20624	0.6
318.07645	1.0
319.08444	6.5
320.09119	1.7
323.23398	2.9
334.10690	13.8
336.12283	2.4
337.12457	0.7
341.24347	28.2
341.28528	0.9
347.27026	2.1
348.25403	2.4
365.28009	3.4
366.26682	0.7
383.29037	30.7
397.30444	3.5
451.99283	0.5
527.61908	0.5
570.21558	1.8
570.67450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78914	1.3
56.05043	3.1
57.59135	1.3
62.11396	1.3
68.20194	1.5
69.07066	2.0
95.08603	14.5
97.10185	3.4
97.21802	1.8
97.84863	1.3
107.08605	1.7
109.10200	2.1
121.11430	1.3
121.56400	1.6
123.08101	2.8
139.12230	1.9
140.10710	100.0
149.13254	1.9
154.11009	2.2
154.12265	61.0
157.13354	68.0
168.13800	3.8
171.14890	26.6
184.13274	1.9
196.16965	23.6
210.18549	6.8
212.16571	2.0
213.19730	5.6
278.08176	2.7
306.07611	3.7
308.08835	1.7
319.08432	10.5
320.09167	2.0
323.23401	7.3
333.25308	2.0
334.10709	25.7
336.12292	9.0
341.24374	52.3
348.12161	3.3
355.25986	8.4
369.27512	35.3
383.28873	14.6
411.32385	11.9
570.20166	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.9
56.05046	2.5
57.65573	1.5
58.57722	1.8
64.62204	1.6
67.05503	2.1
81.07078	2.4
83.08593	1.8
93.70127	1.7
95.08598	11.6
95.09126	1.7
97.10176	10.8
109.10146	3.0
121.38363	1.8
125.09624	2.4
125.10743	6.9
126.09164	32.5
139.12302	7.3
140.10715	100.0
143.11760	16.8
143.75305	1.8
154.12262	47.9
157.13348	73.6
171.14920	21.9
224.20200	3.7
290.08017	2.1
291.20538	1.9
292.19101	2.0
309.21729	6.9
318.07397	2.2
319.08356	10.1
320.09134	3.0
327.22766	46.7
332.08878	1.8
334.10803	25.9
341.24368	7.2
348.12268	27.3
355.25833	9.5
365.27994	2.5
383.29059	28.2
397.30722	14.4
462.86554	2.0
570.18207	3.1
592.15271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47638	1.0
55.05517	9.2
56.05042	1.2
58.06590	2.3
58.32880	1.0
61.75655	0.9
67.05509	24.0
69.07061	7.9
71.04977	1.3
76.52773	1.0
79.05495	24.4
81.07059	23.8
83.08615	5.1
89.06021	8.5
91.05461	8.9
93.07044	29.6
95.04999	1.6
95.08606	19.6
96.08183	1.5
97.10189	1.3
98.09708	1.8
99.17356	1.1
105.04588	1.3
105.07036	9.1
107.08609	21.9
109.10126	11.8
110.09710	1.7
117.07024	1.6
119.08562	10.2
121.10145	14.7
122.09602	1.2
123.11636	1.5
124.11256	1.3
131.08551	4.7
133.10136	10.8
135.11682	12.8
143.08539	1.4
145.10143	2.6
147.11702	6.3
149.13274	5.8
154.12263	1.3
157.10136	2.6
159.11699	4.6
180.33844	1.0
224.87381	1.3
240.19611	1.2
267.54776	1.4
276.23294	2.2
277.21570	15.4
292.22824	2.3
294.24304	21.3
312.45407	1.3
371.22778	5.7
377.35886	1.3
465.26541	1.3
542.76111	1.3
552.43207	1.6
570.45062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85392	1.4
55.92370	1.6
57.07087	2.4
58.05975	1.6
61.04678	1.6
72.72174	1.6
74.35313	1.6
87.04449	2.8
89.06032	100.0
119.75036	1.7
120.95169	1.7
133.08597	28.9
177.11205	8.9
221.13905	2.4
254.13203	2.2
371.22769	60.7
486.49207	2.1
553.42706	3.8
570.45734	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	3.5
67.05514	5.7
70.95895	3.3
76.76011	3.3
81.07059	5.3
85.10172	4.1
87.69525	3.2
89.06038	100.0
93.07030	5.7
95.08570	4.4
95.85381	3.5
104.62070	4.4
121.10088	4.3
122.53500	4.0
127.11954	4.2
133.08641	26.7
133.10175	4.0
164.93782	4.1
296.90878	3.7
371.22757	57.8
511.37015	4.4
570.45630	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34949	1.0
55.01875	2.1
55.05519	15.7
57.07071	6.7
61.52860	1.1
66.24566	1.6
67.05509	25.3
67.93079	1.2
69.06697	1.8
69.07072	39.3
71.04986	6.4
71.08636	57.8
79.05499	6.8
81.06613	2.2
81.07061	38.0
83.04984	1.7
83.08618	29.2
85.06544	2.8
87.08105	1.5
89.06017	1.3
91.05477	2.8
93.07052	16.0
95.08607	37.2
96.57053	1.2
97.06527	14.8
97.10164	17.3
99.08092	54.1
105.07013	2.6
107.08562	5.8
109.10156	21.2
111.08059	1.7
111.11700	9.0
119.08559	6.7
121.10153	23.3
123.11681	15.2
127.11222	5.5
133.10094	9.8
135.11679	12.9
137.13235	9.0
141.09093	6.2
147.11652	7.6
151.11172	1.8
151.14795	2.1
153.12790	1.9
161.13214	6.5
175.14845	1.7
207.21150	2.7
217.19502	6.4
223.20448	2.0
235.20517	1.5
251.20029	36.8
253.21533	2.5
256.26273	1.6
269.21222	1.9
271.22656	100.0
283.22672	56.9
426.00900	1.5
465.20786	1.6
521.41858	1.9
553.44476	7.1
570.53302	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	9.3
56.05030	5.0
57.07075	5.3
60.04535	43.3
60.60571	2.9
67.05502	14.5
69.07059	7.1
71.08645	3.6
73.20042	3.2
74.06082	5.5
76.90768	3.2
79.05506	5.3
81.07061	28.2
83.08626	12.2
86.06091	4.2
88.07638	11.9
91.05491	6.9
93.07018	4.4
93.28722	2.8
95.08618	24.2
97.06484	2.9
97.10186	4.3
109.10160	17.8
119.08566	4.8
121.10184	3.5
133.10114	4.7
134.38571	3.2
188.77666	3.0
242.24757	22.3
243.25099	19.6
262.25385	22.3
272.25696	3.3
280.26340	5.8
290.26941	19.4
291.27197	21.1
534.49347	4.1
552.49896	74.5
570.35474	21.1
570.52002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37732	1.9
52.75703	1.9
55.05512	11.6
57.07075	5.7
58.06612	2.5
60.04531	35.7
67.05516	18.3
69.07058	15.1
71.08623	4.4
74.06084	5.0
74.61233	2.3
79.05501	3.8
81.03407	3.2
81.07048	24.3
82.67211	2.5
83.08613	12.9
88.07634	9.5
91.05498	2.6
93.07064	9.3
95.08591	27.0
97.10196	3.4
99.04449	4.1
104.50989	2.5
105.07082	3.3
107.08607	4.5
109.10163	16.4
118.08624	3.2
119.08563	4.2
121.10129	5.1
133.10144	5.2
135.11707	2.6
144.23137	2.2
151.77733	2.4
161.22055	2.4
162.06195	2.3
242.24739	34.6
243.25169	25.2
262.25177	5.5
272.25842	4.2
280.26428	8.9
290.26819	17.7
291.27304	16.6
307.26263	4.9
317.28177	2.9
357.42056	2.6
377.09094	2.9
468.22733	2.5
471.77505	2.3
530.96570	2.5
552.49847	47.0
570.35748	8.0
570.51855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69041	3.9
55.05511	5.1
57.07069	6.0
60.04528	81.8
63.07665	3.8
67.05502	9.8
69.07073	10.9
81.07065	11.1
83.08604	6.3
86.06100	5.2
87.04453	9.8
88.39177	4.6
91.05484	6.9
93.07044	6.1
95.08596	10.8
109.10137	9.0
117.33553	4.2
207.05154	4.3
218.26003	4.7
256.26221	20.9
257.26599	10.5
262.25262	32.9
280.26355	24.2
365.99753	4.7
520.39124	5.0
534.48492	6.2
552.49957	94.3
556.03516	5.8
568.07635	5.2
570.51746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65706	0.2
55.39999	0.3
66.66041	0.2
72.19178	0.3
77.17051	0.3
80.61752	0.3
114.09163	3.1
131.04883	0.6
151.07684	0.3
167.07051	0.7
182.10509	0.3
184.07356	0.7
209.16502	0.4
228.15871	0.3
260.06723	0.3
319.08252	0.4
334.10596	2.5
336.12378	0.6
344.09128	0.3
478.11505	0.6
497.14804	0.7
525.14532	5.2
541.14227	1.4
543.15668	2.6
554.14453	0.7
556.12067	0.4
566.43866	0.4
570.14099	2.4
571.14941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.4
55.05521	4.6
55.30306	0.4
69.03436	8.0
70.06632	0.5
71.04996	11.3
73.43174	0.5
81.03419	11.0
83.04984	20.0
85.02918	7.3
93.27256	0.6
95.04953	5.0
97.02902	5.7
99.04459	100.0
101.06021	38.0
102.17255	0.5
103.62479	0.4
109.02873	2.4
111.04446	8.9
117.05497	10.7
119.07077	3.3
121.02884	0.8
127.03915	3.7
129.01924	0.6
129.05486	11.9
139.03909	6.9
141.61282	0.5
142.81615	0.6
144.40825	0.6
145.04961	2.8
147.06548	4.2
157.04968	4.9
175.05925	5.1
192.36485	0.5
193.07115	2.9
207.06512	0.5
243.08728	2.0
261.09695	17.9
262.51965	0.5
279.10684	1.1
293.09079	1.2
293.12289	22.3
343.14127	0.6
361.14999	1.1
456.28442	0.6
509.04340	0.5
526.11383	0.6
539.31348	0.6
571.20203	0.7
587.78235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	5.3
67.05513	1.8
69.07073	2.0
74.43160	1.0
77.64858	1.0
81.07057	1.7
91.05496	1.2
93.07025	1.3
95.08616	4.9
98.91364	1.1
104.00575	1.1
109.10162	9.7
111.72785	1.0
136.11243	1.2
137.09615	2.8
140.10692	5.8
149.13260	1.7
154.12265	100.0
158.11771	1.3
171.26160	1.2
172.13309	71.8
173.11696	1.4
173.77823	1.1
182.15401	1.5
199.40123	1.0
212.16492	1.8
320.08929	1.6
322.10785	1.7
324.21573	7.7
334.10770	1.5
339.99765	1.2
342.22678	27.2
366.26477	8.3
384.27417	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08478	3.6
55.01880	4.2
55.05507	23.5
59.07029	4.2
64.65009	3.5
67.05511	43.0
69.07078	37.1
69.07388	3.4
79.05497	31.8
81.07064	66.3
83.04957	4.3
83.08625	22.8
91.05471	19.1
93.07055	44.1
95.04954	4.5
95.08607	65.6
97.06502	14.9
97.10187	7.7
105.07061	32.5
107.08594	35.1
109.10184	30.6
117.07019	10.2
117.10215	4.0
119.08559	45.2
121.10106	32.9
123.11693	6.2
125.40878	4.2
129.07001	7.7
131.08545	30.3
133.10156	35.4
135.11699	25.5
137.09677	4.2
143.08536	18.3
145.10097	29.7
147.11687	22.1
149.13181	5.4
155.08530	5.7
157.10110	16.7
159.11702	21.9
161.13258	17.3
169.10075	15.0
171.11671	18.2
173.13260	19.1
175.14874	6.8
181.10048	4.8
183.11607	6.9
185.13237	10.2
187.14746	8.4
197.13206	5.1
199.14815	6.9
201.16345	4.8
217.66754	5.1
257.92462	4.1
277.21484	4.1
278.06647	4.6
311.58588	4.3
320.09146	21.4
321.09576	18.9
423.32654	17.1
441.33633	5.5
459.34619	34.4
535.41272	25.1
553.42468	100.0
554.43286	5.3
571.28369	7.1
571.35944	6.1
571.43604	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95139	6.1
55.05527	16.1
57.03471	7.6
57.04742	6.0
57.80609	8.0
67.05506	77.6
69.07057	15.4
71.05018	7.0
79.05489	62.2
81.07066	99.5
83.05001	15.1
83.08621	15.1
91.05488	48.6
93.07051	95.2
93.49005	6.6
95.05003	7.7
95.08608	81.5
97.06544	12.8
97.10169	8.4
105.07036	79.4
107.08605	51.7
109.06523	13.9
109.10175	53.2
111.08081	11.4
117.07007	15.7
119.08569	59.4
121.10151	58.2
123.08025	12.1
123.11744	11.1
126.79250	6.7
131.08615	39.4
133.10127	55.3
135.08061	9.3
135.11708	33.7
145.10132	32.4
147.11740	45.0
149.09685	8.3
157.10089	8.1
159.11726	44.4
161.13295	9.5
171.11731	8.9
173.13145	13.7
187.14929	10.3
212.25125	9.1
224.57382	8.5
239.17856	7.5
247.81361	7.8
253.41602	8.6
261.22092	52.9
275.20065	100.0
277.21637	29.6
293.21201	35.9
354.63193	8.6
553.42743	16.8
571.43878	55.4
585.70770	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60293	3.8
55.05510	23.9
55.90617	3.8
59.60970	3.7
62.30333	3.4
67.05509	55.4
69.03431	6.0
69.07063	29.9
79.05499	55.6
81.07066	87.2
83.04974	6.3
83.08627	17.5
90.69479	4.2
91.05467	46.2
93.07041	70.7
95.08605	72.4
97.06506	5.7
97.10166	10.9
101.08619	4.4
105.07036	63.4
107.08601	61.5
109.06536	8.3
109.10147	25.5
116.45576	4.3
117.07000	20.2
119.08566	47.2
121.06539	4.7
121.10124	39.4
123.08025	5.8
123.11671	5.5
125.09698	4.6
131.08545	27.2
133.10126	45.3
135.07997	4.6
135.11711	21.9
137.09627	6.3
145.10164	31.8
147.11678	33.8
149.09578	5.9
149.13261	8.8
159.11736	30.4
161.13202	9.6
163.11176	5.6
171.11713	8.8
173.13249	17.9
185.13417	7.2
187.14836	7.5
213.16325	5.5
257.19031	5.6
259.20374	6.2
260.72089	4.7
261.22058	18.1
275.20078	100.0
277.21576	8.4
280.39471	4.8
293.21173	22.1
478.62082	4.4
494.58957	4.2
535.41266	9.8
544.09668	4.8
553.42529	24.2
571.43665	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46548	0.2
53.03940	0.4
55.01859	0.4
61.02910	0.3
69.03431	3.2
73.02884	0.4
73.90676	0.3
85.02900	4.1
87.00816	1.7
92.20905	0.3
97.02888	2.1
99.04436	1.4
105.01854	0.4
105.07040	0.5
105.41091	0.3
109.02867	2.9
127.03891	4.3
145.02884	0.5
145.04840	0.4
159.02861	1.5
177.05449	2.8
195.58156	0.3
252.16942	0.3
290.08218	0.6
298.14386	1.5
304.06140	0.7
306.07428	0.5
309.96405	0.3
313.00806	0.3
318.07489	1.2
319.08279	4.1
320.09012	0.4
322.07233	0.5
324.08630	100.0
334.10709	7.9
336.12210	0.4
336.75760	0.3
489.06506	0.3
572.12994	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
111.89712	0.5
115.95250	0.5
139.78456	0.4
167.47369	0.5
176.65509	0.5
276.06519	0.6
290.08075	14.0
302.08047	2.3
304.06058	11.6
318.07611	15.6
319.08365	58.0
334.10706	100.0
365.22604	0.6
535.82538	0.6
572.19141	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
74.10403	0.5
81.27795	0.6
83.57182	0.5
119.52721	0.6
165.29562	0.6
197.99577	0.5
203.99014	0.6
242.44356	0.6
276.06781	0.7
278.38217	0.6
290.08096	12.3
302.08148	4.0
304.06058	11.3
318.07623	16.9
319.08392	57.2
320.09097	2.7
334.10739	100.0
336.12317	3.4
572.19165	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14804	0.4
56.84763	0.4
60.18709	0.5
66.11480	0.5
66.25890	0.5
69.66636	0.4
91.64635	0.5
98.84179	0.5
102.11456	0.5
102.56467	0.5
136.12224	0.5
167.34715	0.6
228.31406	0.6
290.08115	12.8
290.11380	0.7
302.08298	3.0
304.05972	12.8
318.07602	16.3
319.02863	0.8
319.05237	0.9
319.08389	59.8
324.08572	8.6
334.10727	100.0
371.31314	0.6
486.87753	0.5
572.19177	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15632	0.3
57.34311	0.3
59.98822	0.3
69.09303	0.3
72.60849	0.3
78.35873	0.4
136.79605	0.4
158.95166	0.4
290.08115	14.2
302.08151	3.5
304.06030	12.7
318.07596	15.2
319.08383	59.9
321.09879	1.6
334.10724	100.0
336.12476	4.3
389.26700	0.4
400.80353	0.4
416.86371	0.4
502.55270	0.5
572.19214	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88929	0.3
52.54153	0.3
54.41803	0.3
56.63559	0.3
74.98563	0.4
76.56939	0.4
92.21496	0.4
98.31282	0.3
98.55759	0.4
110.52573	0.3
120.95496	0.4
247.03513	0.4
276.06488	0.5
276.83359	0.4
290.08075	12.1
302.08212	4.2
304.06024	10.6
318.07635	16.8
319.08392	59.1
321.09924	0.7
334.10724	100.0
336.12122	2.8
423.88156	0.4
572.19128	27.3
599.72449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
123.18037	0.4
275.82770	0.4
276.05975	0.4
290.08102	12.5
302.08157	4.0
304.06058	12.2
318.07574	13.7
318.11124	0.7
319.08386	57.3
334.10718	100.0
557.64240	0.4
572.19122	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07788	0.4
56.13573	0.4
58.06553	0.5
67.68814	0.4
83.39407	0.5
85.02848	0.6
124.31628	0.4
141.09651	0.5
146.02011	0.5
161.06328	0.5
290.08118	13.7
302.08212	3.6
304.06046	13.4
318.07629	16.2
319.08392	60.1
320.09247	6.4
334.10736	100.0
335.11221	1.0
336.12164	2.0
419.65051	0.5
572.19159	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07788	0.4
56.13573	0.4
58.06553	0.5
67.68814	0.4
83.39407	0.5
85.02848	0.6
124.31628	0.4
141.09651	0.5
146.02011	0.5
161.06328	0.5
290.08118	13.7
302.08212	3.6
304.06046	13.4
318.07629	16.2
319.08392	60.1
320.09247	6.4
334.10736	100.0
335.11221	1.0
336.12164	2.0
419.65051	0.5
572.19159	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84178	0.3
56.09453	0.3
61.08700	0.3
69.88613	0.4
92.20981	0.4
149.38049	0.3
165.21313	0.3
193.72885	0.3
244.47815	0.3
257.91528	0.4
280.94006	0.4
284.13995	0.3
290.08109	8.5
302.08182	2.3
304.05975	7.7
318.07620	10.9
319.02881	0.5
319.08395	46.4
334.10739	100.0
335.68591	0.4
572.23029	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96048	0.5
81.57286	0.4
82.70183	0.5
92.21487	0.4
92.89812	0.5
108.38134	0.5
112.08199	0.5
127.54398	0.6
197.13107	0.5
215.09918	0.6
290.08075	11.5
302.08136	2.1
304.06070	8.1
318.07581	10.9
319.08371	49.8
320.09174	2.6
321.09515	0.9
334.10712	100.0
336.12302	4.9
338.13824	2.0
572.23297	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01875	5.1
55.05504	0.5
57.03413	0.5
58.06621	1.0
69.03434	3.4
70.06587	0.7
71.04967	0.4
71.44561	0.3
71.69995	0.3
73.02903	0.9
81.03410	5.0
83.04980	4.3
85.02903	5.8
97.02898	4.7
99.04453	15.2
102.04755	0.4
107.95926	0.4
109.02877	10.5
117.03381	0.4
121.06491	0.6
127.03906	8.4
136.24345	0.3
137.05965	1.9
139.03949	0.4
145.02841	9.9
145.04932	0.8
147.04410	6.3
148.04718	2.0
149.05962	0.8
151.07541	0.5
152.43991	0.4
155.07059	1.6
157.04936	0.6
161.05966	0.4
163.07494	0.6
173.92131	0.3
175.07559	0.8
177.05455	100.0
178.08525	0.4
192.73021	0.4
195.04878	0.7
195.06514	9.1
196.43866	0.4
199.06026	5.0
201.05516	0.5
203.06995	2.1
217.07083	7.7
221.08095	0.7
263.03079	0.4
266.10080	0.4
273.95731	0.4
275.09070	6.0
293.10162	5.3
299.11246	1.7
320.09198	0.6
321.09735	1.6
322.10599	0.7
323.11292	0.8
324.11923	1.5
334.10727	0.6
335.11182	0.6
336.12296	2.5
337.12778	0.9
338.13586	3.2
339.10522	3.7
339.14209	2.8
375.14297	2.4
401.12311	0.7
419.13019	2.9
437.14389	17.1
462.30081	0.5
519.18445	0.5
537.19678	0.8
572.19684	3.1
572.28638	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93634	1.8
58.06596	2.1
59.10193	2.2
59.52600	1.8
70.06571	3.9
81.03432	5.2
85.02910	3.4
97.02916	3.2
99.04413	2.4
108.45938	1.9
109.02889	3.1
119.41624	2.4
121.06470	2.5
127.03932	4.1
131.04955	2.7
133.06477	3.5
137.05971	100.0
145.02823	7.2
147.04408	5.1
149.06000	4.8
151.07497	3.7
161.05949	24.1
162.06750	3.9
163.07568	5.0
175.07509	3.0
177.05440	38.3
179.07034	61.1
191.07071	5.2
201.08980	2.6
203.07022	54.0
209.08092	3.1
215.07057	4.0
253.08479	3.1
257.08008	5.3
263.09363	2.6
265.08563	3.7
275.09058	3.8
281.10162	2.8
285.11172	11.9
287.09232	2.5
295.09500	2.8
297.11099	14.1
304.33148	2.6
309.10852	3.3
312.12308	7.7
322.10599	4.2
323.07806	4.4
323.11194	19.5
327.12198	13.3
338.10202	29.4
339.12210	4.7
341.11987	2.8
365.12268	3.5
410.12253	12.0
453.15445	9.6
471.16629	19.1
489.17227	11.2
572.17719	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	0.6
69.55333	0.5
73.26656	0.5
79.05470	0.5
80.11771	0.5
91.05498	0.7
115.02899	0.6
128.78012	0.5
230.24721	4.8
292.09607	6.6
304.09857	0.8
306.07712	2.7
320.09152	8.0
321.09940	27.9
336.12286	100.0
337.06119	0.7
378.56406	0.6
572.26428	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24862	0.3
53.92328	0.4
58.89724	0.4
63.92553	0.4
67.05457	1.0
69.07030	0.5
72.68347	0.4
73.84743	0.4
79.05464	0.7
83.04954	0.5
91.05457	0.5
93.07018	0.7
95.08580	0.6
99.04443	0.7
105.06942	0.5
113.04188	0.4
121.06408	0.6
135.11632	0.5
136.08730	0.4
148.79831	0.5
155.53539	0.5
178.19058	0.6
185.00641	0.4
220.84871	0.5
283.47836	0.5
292.09674	7.4
306.07666	2.6
320.09198	7.9
321.06119	1.0
321.09940	24.3
336.12286	100.0
350.33539	0.5
475.24951	0.5
531.04938	0.5
572.26434	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.05523	9.6
56.15246	4.3
60.34345	4.0
67.05521	34.4
69.07089	11.4
73.02905	6.1
75.78096	4.3
79.05481	22.3
81.03426	22.0
81.07069	40.4
83.05003	5.9
83.08634	10.0
85.02895	9.4
91.05490	26.1
92.27215	5.5
93.07042	30.8
95.08612	28.5
99.04457	100.0
99.05527	6.5
105.07042	27.3
107.08598	19.4
109.06530	6.6
109.10168	17.1
117.07053	5.9
119.08571	23.9
121.06515	5.2
121.10166	35.3
131.08601	18.8
133.10156	28.2
135.07962	5.6
135.11726	11.4
141.07047	5.3
143.08592	10.7
145.10143	11.2
147.11665	8.1
155.08614	7.9
157.10085	11.0
159.11685	11.4
169.10059	8.1
171.11699	9.9
173.11716	5.0
197.13383	7.2
199.11148	5.7
235.87219	5.4
259.20520	5.5
301.21432	5.4
321.09769	5.2
329.26981	9.8
334.10828	8.7
336.12177	7.7
367.22601	22.3
465.26129	17.8
483.27396	47.2
501.28180	43.9
519.29022	9.2
572.26300	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04444	0.7
56.94611	0.6
66.47069	0.6
81.76747	0.6
172.03905	8.2
190.04987	100.0
218.04517	4.5
236.75568	0.8
291.08755	0.9
319.08337	3.0
320.09183	10.4
328.11646	1.1
334.10657	7.5
335.11099	3.1
336.12302	4.2
337.12704	4.2
400.10431	0.9
571.78119	0.7
573.15137	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51631	0.3
58.75334	0.3
63.84086	0.3
69.03432	0.8
70.06589	0.7
76.03115	0.3
81.03436	1.4
85.02919	1.4
90.72243	0.3
91.05476	1.9
97.02914	0.4
99.04443	0.5
104.41870	0.3
109.02844	0.6
119.04946	7.7
127.03965	0.6
147.04413	100.0
152.42677	0.3
165.05434	2.1
167.98033	0.4
177.05473	0.4
231.10103	1.3
291.08612	1.4
309.09741	6.5
313.11752	6.1
393.15439	0.5
411.16232	0.5
471.14975	4.1
509.11298	0.4
573.20660	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51631	0.3
58.75334	0.3
63.84086	0.3
69.03432	0.8
70.06589	0.7
76.03115	0.3
81.03436	1.4
85.02919	1.4
90.72243	0.3
91.05476	1.9
97.02914	0.4
99.04443	0.5
104.41870	0.3
109.02844	0.6
119.04946	7.7
127.03965	0.6
147.04413	100.0
152.42677	0.3
165.05434	2.1
167.98033	0.4
177.05473	0.4
231.10103	1.3
291.08612	1.4
309.09741	6.5
313.11752	6.1
393.15439	0.5
411.16232	0.5
471.14975	4.1
509.11298	0.4
573.20660	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55803	2.2
67.05531	2.3
69.07066	3.1
79.05497	3.8
81.07060	13.3
89.93436	2.2
91.05484	13.5
93.07037	9.4
95.08600	9.5
101.04217	4.9
101.64748	2.5
105.07031	3.2
106.69534	2.5
107.08572	5.3
108.88704	2.3
109.10164	3.0
119.04954	26.9
119.08575	4.7
121.10162	9.0
123.11736	2.7
133.10114	10.3
135.11703	3.7
135.41034	2.6
145.10098	2.7
147.04404	25.7
147.11659	5.7
159.11626	3.5
175.03908	73.5
175.14821	10.6
207.06508	100.0
255.21034	12.0
264.05896	2.3
279.22885	2.7
319.00943	3.0
331.21021	3.4
425.88593	3.0
449.42035	2.5
555.27484	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05511	2.5
57.03450	4.6
57.07080	24.6
60.25555	0.5
64.03555	0.6
67.05513	5.7
69.07063	5.2
71.08633	22.7
79.44812	0.7
81.03421	2.4
81.07065	10.6
83.08622	7.1
85.02869	0.5
85.10189	14.3
93.07010	1.0
95.08602	14.2
97.10198	4.2
98.98471	26.3
107.08584	0.9
109.02883	5.0
109.10156	6.6
116.99387	0.6
121.10124	0.6
123.11681	3.0
133.10132	0.7
137.13313	1.1
145.04939	0.7
155.01039	20.2
173.02106	2.5
190.97295	0.6
239.23831	2.1
261.03790	0.7
313.27368	100.0
317.06268	2.6
335.07416	2.4
391.22964	0.7
393.23865	5.7
401.28864	3.2
463.52353	0.6
537.28320	8.6
555.29535	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.03440	4.7
57.07080	26.9
67.05501	5.1
69.07063	4.7
71.04996	0.6
71.08633	22.4
71.13992	0.4
81.03403	2.3
81.07066	8.3
83.08617	7.9
85.10173	15.6
89.06049	0.5
95.08603	13.7
97.10179	3.9
98.98463	25.9
99.11761	0.7
103.07516	0.7
109.02895	4.2
109.10170	6.5
111.11667	0.6
117.09180	0.5
123.11689	3.9
137.13220	0.6
155.01035	22.5
171.31590	0.5
173.02159	2.0
218.07181	0.6
239.23685	1.1
257.24692	0.6
261.03671	1.8
275.26035	0.6
309.35550	0.6
313.27341	100.0
317.06287	3.8
323.97113	0.6
335.07413	0.9
393.24103	5.4
401.29004	3.0
537.28076	8.8
555.29016	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3036
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05516	2.0
57.03444	4.8
57.07084	32.0
58.44035	0.4
64.27127	0.4
67.05517	5.0
69.07079	4.9
71.08636	23.0
75.04482	0.5
80.33572	0.4
81.03443	3.6
81.07065	9.6
83.08623	7.5
85.09724	0.8
85.10188	15.2
89.06036	1.1
95.08614	15.0
97.10168	3.0
98.98476	22.3
109.02874	3.5
109.10164	9.0
111.11698	0.9
123.11718	2.8
127.03924	1.1
137.13293	0.5
154.99747	0.7
155.01041	22.3
173.02127	2.6
198.44620	0.5
239.23740	2.4
257.05215	0.5
261.03775	0.7
313.27371	100.0
317.06183	1.0
335.07251	1.8
388.26883	0.4
393.23898	5.3
401.28989	2.8
537.28314	9.7
555.29211	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73869	0.5
54.88923	0.4
55.05520	1.3
57.03437	3.5
57.07081	28.3
66.02283	0.5
67.05513	4.8
69.07071	6.1
71.08632	22.1
71.09002	1.1
81.03409	2.0
81.07063	7.6
83.08616	5.7
83.89487	0.5
85.10187	13.7
89.06052	0.5
95.08607	13.2
97.10162	4.4
98.98466	21.1
99.11729	0.8
109.02866	3.9
109.10155	7.2
123.11666	2.3
135.52823	0.6
137.13237	0.6
155.01031	21.9
163.05995	0.5
173.02132	2.2
187.79515	0.7
239.23683	2.4
252.45219	0.6
257.24585	0.6
261.03726	1.0
313.27353	100.0
317.06256	2.1
319.42477	0.6
335.07281	1.1
393.24005	5.1
401.29004	2.4
426.06012	0.6
537.28271	9.9
555.29279	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09815	0.3
55.05502	2.9
57.03440	6.0
57.07080	29.8
60.43925	0.3
67.05501	6.0
69.07069	5.0
71.04977	0.5
71.08632	25.9
73.13395	0.3
81.03420	3.5
81.07061	11.7
83.08611	8.0
85.10179	16.8
89.06026	0.7
92.20930	0.5
95.08599	14.8
97.10173	4.7
98.98461	25.9
99.04445	0.9
99.11726	0.8
103.07590	0.5
109.02879	4.3
109.10149	7.2
123.11703	3.3
127.03874	0.6
137.13251	0.8
151.14795	0.4
155.01025	22.4
163.06001	0.4
173.02090	2.2
212.85776	0.5
239.23709	2.6
261.03647	0.8
274.27368	2.2
313.27344	100.0
317.06177	2.6
335.07227	2.1
393.23859	5.8
401.29050	2.1
530.35120	0.5
537.28217	9.6
555.29315	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05511	2.5
57.03450	4.6
57.07080	24.6
60.25555	0.5
64.03555	0.6
67.05513	5.7
69.07063	5.2
71.08633	22.7
79.44812	0.7
81.03421	2.4
81.07065	10.6
83.08622	7.1
85.02869	0.5
85.10189	14.3
93.07010	1.0
95.08602	14.2
97.10198	4.2
98.98471	26.3
107.08584	0.9
109.02883	5.0
109.10156	6.6
116.99387	0.6
121.10124	0.6
123.11681	3.0
133.10132	0.7
137.13313	1.1
145.04939	0.7
155.01039	20.2
173.02106	2.5
190.97295	0.6
239.23831	2.1
261.03790	0.7
313.27368	100.0
317.06268	2.6
335.07416	2.4
391.22964	0.7
393.23865	5.7
401.28864	3.2
463.52353	0.6
537.28320	8.6
555.29535	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40984	2.4
62.12713	3.1
65.50403	2.9
67.05512	4.1
67.65763	2.9
67.67037	2.8
71.57505	3.1
81.07054	7.4
93.07042	5.5
95.08595	3.7
98.55846	2.9
109.10170	3.4
121.10165	3.8
133.22346	3.8
213.76582	3.1
241.20430	3.2
256.26306	5.2
275.19885	4.0
319.08325	6.8
334.10721	67.0
371.10449	4.0
525.27612	6.8
555.31927	17.5
573.33344	100.0
573.47363	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69334	4.4
53.75073	3.2
54.26278	4.4
55.05519	33.5
57.07071	26.7
57.56619	4.1
61.71564	4.2
67.05187	4.2
67.05514	81.3
69.03372	3.5
69.07067	38.3
71.08633	17.8
79.05496	40.0
81.07060	100.0
83.04996	8.1
83.08621	24.1
85.10176	10.5
91.05466	34.9
93.07038	82.5
95.04951	7.0
95.08610	76.4
95.63892	5.3
97.10171	26.0
99.08095	6.6
105.07012	29.8
107.08622	54.5
109.06516	6.6
109.10153	37.6
111.08018	6.9
119.08608	44.2
121.10144	39.9
123.11705	7.7
125.09620	6.3
131.08568	29.0
133.10135	27.6
135.11685	42.0
143.08568	6.0
145.10120	28.7
147.11673	24.9
149.13292	10.5
157.10120	7.1
159.11676	19.3
161.13260	20.5
164.21289	4.6
171.11676	4.6
173.13281	5.6
175.14827	9.1
187.14807	9.1
189.11305	5.2
197.13158	4.6
243.20963	7.6
261.22156	22.1
266.13638	44.9
277.21680	36.4
330.66708	5.2
371.30731	4.6
373.27554	5.0
387.32458	7.3
443.34738	5.0
537.42847	10.7
555.44061	42.3
573.46545	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70828	0.1
88.99435	0.1
96.36012	0.1
96.56974	0.1
165.33154	0.1
169.19075	0.1
273.07819	0.2
273.94797	0.1
276.06635	0.7
289.07327	0.1
290.08093	11.1
302.08124	3.7
303.08743	0.2
304.06030	11.6
306.07483	0.5
318.07593	14.8
319.08374	56.3
320.09131	0.9
321.09814	0.2
322.10550	0.3
334.10712	100.0
335.07788	0.5
335.11249	0.2
336.12433	1.4
350.10153	1.2
574.16968	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58479	1.0
66.18856	1.1
84.17342	1.2
106.35373	1.3
114.40596	1.2
130.71092	1.2
145.68933	1.1
164.72255	1.2
167.07071	6.5
193.69131	1.3
278.08157	2.7
289.28238	1.3
290.07993	2.1
291.08847	9.2
302.07980	1.5
304.05850	1.7
306.07587	23.2
307.08386	6.1
318.07498	2.2
319.08450	9.4
320.05478	5.1
320.09122	8.2
321.09586	1.6
322.07068	4.3
322.10770	9.2
334.06998	7.5
334.10788	10.5
335.07672	4.2
336.12268	6.8
337.12790	1.3
350.10178	12.6
350.13901	1.7
390.09528	2.6
454.13156	1.5
466.12640	1.9
481.15414	4.4
482.11954	2.6
496.13742	5.5
512.17023	2.4
556.15771	4.9
558.14526	1.4
574.16968	100.0
582.30408	1.6
585.80902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79574	1.7
59.50813	1.4
59.54679	1.4
63.99543	1.5
71.24786	1.5
77.16735	1.4
77.69080	1.6
79.77607	1.7
81.03410	2.1
99.04443	11.8
100.04797	3.0
130.14656	1.8
133.02907	1.8
147.22983	1.9
165.94800	2.1
167.07069	7.7
177.05492	2.8
198.72197	1.8
275.62976	2.1
278.08145	3.4
291.08734	3.5
293.91464	2.1
294.68713	2.1
306.07532	19.7
307.08420	4.3
318.07455	1.8
319.08472	2.5
320.05612	3.4
320.09088	6.1
321.09946	7.3
322.06931	2.6
322.10553	9.8
334.07123	6.8
334.10721	7.0
336.12213	12.7
337.12830	2.5
350.10132	11.9
439.00900	2.0
468.14307	2.2
481.15195	4.2
482.12387	2.0
484.13895	2.2
486.15308	2.3
496.13742	4.0
512.17133	3.8
556.16223	6.8
574.16949	100.0
574.30994	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03761	0.4
58.06627	0.5
65.71391	0.5
67.94873	0.5
82.28841	0.4
82.88316	0.5
88.07810	0.4
94.74893	0.5
105.21023	0.4
225.53510	0.4
243.99017	0.5
276.06479	0.5
288.45834	0.5
290.08115	12.0
302.08121	3.9
304.06042	10.6
306.07541	1.1
318.07590	16.3
319.08389	55.9
320.09103	3.4
321.09830	0.9
321.32150	0.5
321.68167	0.5
334.10724	100.0
336.12186	2.1
350.10049	0.7
411.97211	0.5
493.81686	0.6
574.16907	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00293	0.4
125.23389	0.6
132.77769	0.5
145.02844	2.3
172.41666	0.6
177.05467	6.9
207.06537	0.5
219.81433	0.6
290.08118	11.7
302.08081	2.3
304.06003	9.8
318.07593	17.9
319.08374	54.2
320.09171	1.0
334.10715	100.0
336.12381	0.6
448.05872	0.5
574.17017	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00293	0.4
125.23389	0.6
132.77769	0.5
145.02844	2.3
172.41666	0.6
177.05467	6.9
207.06537	0.5
219.81433	0.6
290.08118	11.7
302.08081	2.3
304.06003	9.8
318.07593	17.9
319.08374	54.2
320.09171	1.0
334.10715	100.0
336.12381	0.6
448.05872	0.5
574.17017	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82343	0.6
61.96075	0.7
74.94524	0.7
83.04995	0.8
88.73148	0.7
92.21547	1.1
97.21131	0.8
107.08651	0.7
112.98271	0.7
119.08554	0.9
127.03962	0.9
159.11685	0.9
191.95547	0.7
292.09695	1.3
308.12814	1.1
310.03110	0.7
320.09146	3.4
321.09985	3.5
323.11456	1.2
334.10733	3.0
336.12292	18.4
337.12894	4.1
338.13834	4.8
352.15268	6.0
426.09491	1.1
440.11316	11.9
441.11996	4.3
452.11523	3.6
454.09180	3.8
455.13638	4.1
456.14642	9.3
468.10724	12.4
469.11560	17.9
470.11847	1.0
484.13913	92.9
486.15671	1.4
556.31744	1.0
574.17010	100.0
574.23474	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90599	0.5
65.62517	0.5
67.35001	0.5
68.14385	0.5
74.01797	0.5
78.41207	0.5
100.35410	0.6
112.28545	0.5
121.02873	12.7
174.05492	3.7
205.25250	0.6
210.87338	0.6
217.57703	0.7
290.08118	11.8
293.93387	0.6
302.08145	3.2
304.06000	10.0
318.07596	15.2
319.08380	60.6
320.09259	4.4
321.09680	0.9
322.10431	0.7
334.10721	100.0
336.12357	2.8
454.16397	0.8
558.16840	0.9
574.18561	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90599	0.5
65.62517	0.5
67.35001	0.5
68.14385	0.5
74.01797	0.5
78.41207	0.5
100.35410	0.6
112.28545	0.5
121.02873	12.7
174.05492	3.7
205.25250	0.6
210.87338	0.6
217.57703	0.7
290.08118	11.8
293.93387	0.6
302.08145	3.2
304.06000	10.0
318.07596	15.2
319.08380	60.6
320.09259	4.4
321.09680	0.9
322.10431	0.7
334.10721	100.0
336.12357	2.8
454.16397	0.8
558.16840	0.9
574.18561	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90599	0.5
65.62517	0.5
67.35001	0.5
68.14385	0.5
74.01797	0.5
78.41207	0.5
100.35410	0.6
112.28545	0.5
121.02873	12.7
174.05492	3.7
205.25250	0.6
210.87338	0.6
217.57703	0.7
290.08118	11.8
293.93387	0.6
302.08145	3.2
304.06000	10.0
318.07596	15.2
319.08380	60.6
320.09259	4.4
321.09680	0.9
322.10431	0.7
334.10721	100.0
336.12357	2.8
454.16397	0.8
558.16840	0.9
574.18561	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11088	0.9
65.89790	1.1
83.08623	1.2
184.07356	2.0
187.41223	1.4
195.05711	1.4
209.71765	1.5
319.07925	3.7
320.09058	2.3
321.09747	1.6
334.10602	7.8
372.08643	12.9
374.10349	20.8
375.11087	1.6
386.10211	1.6
387.43353	1.4
388.07736	1.6
389.12622	2.0
390.13373	2.5
402.09683	27.5
403.10464	13.0
418.12906	100.0
528.19879	8.3
556.19489	6.9
574.20428	81.8
584.49927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46646	0.1
53.90944	0.1
54.60759	0.1
56.03027	0.2
56.85895	0.2
92.20965	0.2
180.52216	0.2
290.08130	0.9
291.08719	0.2
292.09610	3.0
293.10422	0.5
304.05908	0.4
306.07861	0.3
308.12744	1.5
318.07697	0.8
319.08340	2.7
320.09149	13.7
321.09946	6.3
322.10300	0.4
334.10675	5.6
335.11008	0.4
336.12286	100.0
338.13828	0.2
574.21155	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85667	0.2
58.90587	0.2
62.75670	0.2
66.51353	0.2
183.70351	0.3
202.04318	0.3
244.72084	0.3
278.08109	0.4
291.08545	0.4
292.09634	12.6
304.06323	0.4
304.09500	2.3
306.07587	4.1
318.07809	0.5
319.08337	2.0
320.09134	20.2
321.09937	35.1
323.10919	0.3
334.10730	3.0
335.11111	2.3
336.12277	100.0
338.14032	0.4
574.19714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08218	0.2
70.71802	0.3
76.67704	0.3
98.04914	0.2
154.11069	0.3
160.41437	0.3
175.96539	0.4
236.70645	0.4
292.09641	3.2
293.10358	0.4
308.12787	1.4
318.07568	1.3
320.09140	15.6
321.09885	7.0
334.10822	1.2
335.11182	1.1
336.12289	100.0
337.12823	0.4
350.10117	0.4
574.20947	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19938	0.9
60.24226	0.9
61.13365	1.0
69.97926	1.1
77.35310	0.9
81.47752	1.0
101.10963	1.0
120.59248	1.0
122.02459	1.1
294.11194	1.9
308.08875	1.2
316.39072	1.2
319.08633	2.6
320.09225	29.6
321.09512	1.9
322.10632	1.4
323.11484	1.2
334.10620	2.3
335.11179	1.3
336.12268	5.9
338.13770	1.9
456.14172	1.4
484.13864	7.9
498.14883	2.3
512.13214	7.1
514.15076	1.8
515.15704	1.8
516.16364	7.7
526.15088	5.0
530.18127	18.4
542.18726	9.9
543.15216	4.5
544.16150	27.2
558.17664	45.6
559.18549	8.2
574.20612	100.0
590.82397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10364	0.3
58.26136	0.5
58.58600	0.3
65.39236	0.4
71.91405	0.4
83.71700	0.4
84.26454	0.4
91.72453	0.4
91.79803	0.4
130.04265	0.4
131.93752	0.4
173.16685	0.5
291.08752	0.5
292.09543	2.9
293.10248	0.5
304.06094	0.7
306.07364	0.6
308.12863	1.7
318.07654	2.0
319.08258	5.6
320.09146	13.5
321.09973	6.6
322.10446	0.6
326.09085	0.6
334.10666	11.4
335.11053	1.6
336.12268	100.0
337.12665	0.6
385.18314	0.5
428.39398	0.5
437.23526	0.4
574.20313	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64165	0.2
61.10355	0.2
107.65689	0.2
207.57588	0.2
283.70358	0.3
290.08078	0.4
291.08890	0.4
292.09647	2.8
293.10425	0.5
306.07462	0.3
308.12836	1.5
318.07620	0.4
319.08356	1.9
320.09146	12.2
321.09860	5.8
322.10388	0.2
327.87491	0.3
334.10617	3.1
335.11429	0.3
336.12280	100.0
574.20911	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64165	0.2
61.10355	0.2
107.65689	0.2
207.57588	0.2
283.70358	0.3
290.08078	0.4
291.08890	0.4
292.09647	2.8
293.10425	0.5
306.07462	0.3
308.12836	1.5
318.07620	0.4
319.08356	1.9
320.09146	12.2
321.09860	5.8
322.10388	0.2
327.87491	0.3
334.10617	3.1
335.11429	0.3
336.12280	100.0
574.20911	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66718	0.2
75.10419	0.4
75.98412	0.3
107.10886	0.3
151.07626	0.3
170.26396	0.3
230.88997	0.3
275.13852	0.3
278.08072	0.5
291.09116	0.4
292.09637	13.6
304.09732	2.4
305.10437	0.3
306.07553	4.3
320.09158	14.7
320.12738	0.6
321.09949	31.3
336.12286	100.0
574.21259	0.7
574.33380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.207
Annotation	Unknow
Peak:m/z	Relative Intensity
77.34647	0.3
87.97690	0.3
94.87646	0.4
109.00043	0.3
130.45908	0.3
278.07983	0.3
292.09613	12.9
304.09656	2.6
306.07553	4.1
320.09143	15.4
321.09940	31.6
336.12268	100.0
365.68607	0.4
574.21191	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23339	0.2
58.06595	0.2
59.99212	0.2
82.78086	0.2
84.08243	0.2
93.62766	0.2
128.93623	0.2
148.02652	0.2
157.20717	0.2
178.81589	0.2
191.98804	0.2
206.95308	0.2
227.45912	0.2
227.49500	0.2
264.10175	0.3
290.08191	0.4
291.08917	0.3
292.09665	3.1
292.12622	0.3
293.10513	0.3
304.06076	0.3
306.07703	0.5
307.08350	0.2
308.12918	1.4
318.07663	0.7
319.08267	1.7
320.09149	14.4
321.09933	6.0
334.10678	3.6
335.11176	0.6
336.12289	100.0
422.46350	0.2
460.34152	0.2
574.20435	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70890	0.1
59.54794	0.1
63.53076	0.1
100.56961	0.2
102.77667	0.1
122.52036	0.1
144.03204	0.2
182.28539	0.2
219.20268	0.2
264.10092	0.2
290.08316	0.2
291.08743	0.2
292.09650	3.2
293.10422	0.2
308.09247	0.3
308.12830	1.6
320.09174	13.8
321.09949	6.5
322.10629	0.2
334.10678	0.7
336.12286	100.0
574.21033	3.2
574.65442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13906	0.1
51.39970	0.1
53.60933	0.1
53.77930	0.1
74.51189	0.1
79.66621	0.1
81.87352	0.1
91.05495	0.2
97.02887	0.2
97.41782	0.1
125.72954	0.1
142.62538	0.1
147.04315	0.2
190.05034	0.6
275.09393	0.3
278.07852	0.2
291.08743	0.2
292.09662	12.8
304.09644	2.0
305.10370	0.2
306.07620	3.8
307.08374	0.2
319.08359	0.3
320.09155	14.3
321.09949	30.7
322.10565	0.6
323.10831	0.2
334.10645	1.0
335.11218	0.5
336.12280	100.0
337.12595	0.7
338.13171	0.2
414.70670	0.1
462.93939	0.2
541.39673	0.2
574.25104	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74211	0.3
51.07093	0.4
55.01859	0.4
59.61766	0.4
69.03424	0.8
69.50886	0.4
70.06584	0.7
70.50851	0.5
81.03442	0.7
83.04944	0.4
84.04503	0.9
85.02886	2.8
86.06075	1.0
87.04446	2.5
91.05486	1.1
97.02876	2.6
98.06061	4.0
99.04436	2.1
106.06601	0.4
108.05915	0.5
109.02867	1.1
116.07039	0.6
119.04959	5.8
124.07586	0.6
126.05483	0.9
127.03953	0.8
134.06012	2.2
137.06012	0.6
138.14473	0.5
140.07024	0.6
140.09544	0.5
147.04411	100.0
148.07600	1.2
158.66168	0.4
164.07112	0.4
166.08611	1.0
176.07060	10.6
182.08130	1.9
194.08130	10.4
212.09201	2.8
215.06058	0.5
230.10149	3.5
248.11270	5.6
358.12665	0.6
376.13934	2.2
394.15182	3.3
406.81955	0.5
412.15909	2.2
520.17987	0.9
538.19031	2.0
556.20270	15.3
574.21301	30.9
575.91608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05225	0.4
65.03929	0.5
69.03426	2.2
70.06582	0.9
81.03409	1.3
85.02882	2.4
86.06082	1.0
86.09692	0.7
87.04462	4.7
91.05468	1.3
97.02898	3.0
98.06066	4.5
99.04467	5.3
104.07127	0.5
106.06577	0.7
108.04469	0.6
109.02853	1.1
117.05500	0.9
119.04967	7.1
124.07600	0.9
125.04763	1.2
126.05529	1.1
127.03911	2.4
134.06004	2.5
140.07086	0.8
147.04414	100.0
148.07593	2.2
166.08652	2.4
176.07053	10.4
182.08173	0.7
194.08098	9.2
196.70818	0.5
210.11436	0.6
212.09198	3.8
212.37659	0.5
223.50298	0.5
230.10318	2.4
248.11299	0.9
374.11069	0.5
519.67865	0.7
538.19196	12.7
556.20087	11.7
574.21204	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05225	0.4
65.03929	0.5
69.03426	2.2
70.06582	0.9
81.03409	1.3
85.02882	2.4
86.06082	1.0
86.09692	0.7
87.04462	4.7
91.05468	1.3
97.02898	3.0
98.06066	4.5
99.04467	5.3
104.07127	0.5
106.06577	0.7
108.04469	0.6
109.02853	1.1
117.05500	0.9
119.04967	7.1
124.07600	0.9
125.04763	1.2
126.05529	1.1
127.03911	2.4
134.06004	2.5
140.07086	0.8
147.04414	100.0
148.07593	2.2
166.08652	2.4
176.07053	10.4
182.08173	0.7
194.08098	9.2
196.70818	0.5
210.11436	0.6
212.09198	3.8
212.37659	0.5
223.50298	0.5
230.10318	2.4
248.11299	0.9
374.11069	0.5
519.67865	0.7
538.19196	12.7
556.20087	11.7
574.21204	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02917	0.9
52.88007	1.0
54.87152	0.9
55.26184	0.9
56.11803	1.0
66.17985	0.9
69.03422	4.9
70.36279	1.0
78.63953	1.0
81.03433	2.1
85.02909	10.4
97.02897	5.2
107.04955	46.0
107.05672	1.9
109.02873	2.3
113.02352	7.9
120.03294	1.1
121.06545	2.4
127.03941	6.3
131.04881	1.3
137.05975	9.1
143.04939	5.5
145.06523	7.1
151.07637	1.8
163.07523	1.3
175.07523	15.0
197.09714	1.9
209.09698	2.7
237.09117	10.2
269.11700	25.7
285.28223	1.2
300.15939	18.9
462.21899	1.2
574.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
97.49935	1.1
135.08037	1.4
152.64656	0.9
223.54694	0.9
292.09665	10.4
306.07669	1.7
320.09161	22.4
321.09912	35.1
322.10355	1.8
336.12277	100.0
450.41470	1.1
548.67499	1.0
574.24005	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36969	1.4
55.01888	1.3
57.45531	1.2
58.06605	31.2
69.03406	3.1
70.06589	3.5
70.48132	1.3
71.04967	1.3
80.47176	1.5
81.03397	8.1
83.04970	1.8
84.08150	2.9
85.02906	7.4
86.73056	1.4
93.07043	1.6
96.95541	1.5
97.02897	3.4
99.04446	31.6
107.04955	33.1
107.74285	1.7
108.04471	1.6
109.02862	2.8
117.29591	1.4
118.07586	1.5
119.05034	1.4
121.06503	59.8
122.06023	3.4
127.03909	2.7
137.05998	7.8
143.04936	10.1
145.02838	1.8
145.06473	6.5
150.09174	2.0
163.07532	1.6
175.07516	6.3
177.05473	19.3
192.10233	2.3
203.06984	2.5
207.06529	1.8
221.08075	2.6
246.11247	2.9
269.11700	11.2
271.13187	3.0
282.13519	1.7
290.06729	1.7
314.17523	23.4
320.13303	1.6
327.53232	1.9
395.26624	1.6
438.66379	1.8
556.21863	19.3
574.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36969	1.4
55.01888	1.3
57.45531	1.2
58.06605	31.2
69.03406	3.1
70.06589	3.5
70.48132	1.3
71.04967	1.3
80.47176	1.5
81.03397	8.1
83.04970	1.8
84.08150	2.9
85.02906	7.4
86.73056	1.4
93.07043	1.6
96.95541	1.5
97.02897	3.4
99.04446	31.6
107.04955	33.1
107.74285	1.7
108.04471	1.6
109.02862	2.8
117.29591	1.4
118.07586	1.5
119.05034	1.4
121.06503	59.8
122.06023	3.4
127.03909	2.7
137.05998	7.8
143.04936	10.1
145.02838	1.8
145.06473	6.5
150.09174	2.0
163.07532	1.6
175.07516	6.3
177.05473	19.3
192.10233	2.3
203.06984	2.5
207.06529	1.8
221.08075	2.6
246.11247	2.9
269.11700	11.2
271.13187	3.0
282.13519	1.7
290.06729	1.7
314.17523	23.4
320.13303	1.6
327.53232	1.9
395.26624	1.6
438.66379	1.8
556.21863	19.3
574.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79665	0.2
54.22226	0.2
55.78600	0.2
65.06165	0.3
73.73905	0.2
81.07020	0.2
109.10138	0.3
119.08626	0.3
121.06503	0.3
194.02013	0.2
215.72760	0.3
247.58759	0.3
277.21304	0.3
278.84195	0.3
292.04556	0.3
292.09671	7.6
304.09674	1.4
306.07529	2.8
320.09140	10.1
320.12753	0.4
321.09952	25.9
324.11966	0.3
336.12283	100.0
379.35760	0.3
530.91931	0.3
574.27557	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94284	1.1
54.07396	1.0
54.49412	1.0
55.01875	1.1
55.05511	6.1
56.04090	1.0
57.03438	2.5
57.07079	64.1
59.89296	1.2
61.53758	1.1
67.05506	15.8
69.07067	15.1
71.08632	48.4
73.02920	2.3
73.48706	1.2
75.04475	1.8
81.07054	28.3
83.08627	22.5
83.77510	1.4
85.10175	41.6
95.08601	44.7
97.10162	9.2
99.04446	1.6
99.11701	3.1
107.57034	1.3
109.02881	5.6
109.10155	26.9
111.04420	1.4
111.11710	1.7
123.10912	1.4
123.11684	11.7
127.03860	2.2
137.13245	2.5
137.86111	1.3
138.72777	1.4
151.14859	1.4
190.99983	1.5
221.22705	1.9
229.24001	1.5
239.23636	15.5
257.24738	5.9
313.27328	100.0
331.28384	66.6
388.06296	1.5
442.43021	1.4
492.77200	1.8
539.28833	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.2
55.05516	6.5
57.03440	2.6
57.07086	65.9
59.77674	1.0
67.05514	15.4
69.07069	12.2
69.38463	1.2
71.08634	50.3
73.02908	1.5
75.04479	1.4
79.05515	2.3
80.08128	1.3
81.03436	2.8
81.07066	26.4
83.08622	21.6
85.02909	2.1
85.10193	38.1
90.54855	1.3
93.07043	1.5
95.08609	47.2
97.10176	14.1
98.98467	1.2
99.04458	6.5
99.08032	1.3
99.11765	1.3
105.07038	1.7
107.08579	1.7
109.02894	5.6
109.10154	24.9
109.40052	1.2
110.03703	1.8
111.04456	1.2
111.11755	2.5
115.07534	1.1
119.08565	1.6
123.11721	13.1
125.13279	1.9
127.03957	1.7
137.13272	5.5
151.14857	1.5
167.07146	1.2
191.00130	2.3
239.23648	16.8
257.24716	5.8
300.97470	1.4
313.27353	100.0
314.27643	8.9
331.28415	79.9
465.25092	1.5
485.28973	1.9
539.29272	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
55.05515	3.6
57.03437	3.4
57.06827	3.5
57.07085	61.0
67.05508	13.6
69.07073	12.9
71.04866	1.5
71.08638	57.6
75.04445	1.6
76.48413	1.6
78.85035	1.4
81.07068	30.9
83.08633	22.0
85.10185	37.6
87.58429	1.4
90.64509	1.6
93.07030	1.7
95.08607	44.2
97.10161	11.5
99.11726	2.0
103.07590	1.9
109.10164	25.7
111.11739	2.5
123.11682	8.7
127.03889	3.8
137.13225	5.7
139.25508	1.7
148.57486	1.8
178.53258	1.7
188.45193	1.7
191.00003	2.6
239.23714	15.8
257.24823	4.2
292.66879	2.2
313.27347	100.0
331.28418	86.4
539.28455	7.3
600.68903	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.6
55.01856	1.1
55.05506	5.2
57.03436	5.2
57.07079	55.6
67.05502	13.5
69.03437	1.3
69.07064	12.7
69.18567	1.0
71.01418	1.2
71.08629	56.3
75.04497	1.7
81.03461	1.6
81.06598	2.2
81.07050	28.8
83.08612	25.6
85.06541	1.4
85.10175	37.2
93.07017	2.7
95.08600	49.6
97.10154	12.0
99.04462	5.6
105.07043	1.5
108.03098	1.3
109.02857	7.9
109.10146	23.1
110.03664	1.6
111.11698	2.0
117.06944	1.2
121.10164	1.3
123.11713	9.1
127.03901	5.1
133.58835	1.2
137.13249	2.7
151.14845	2.0
191.00095	5.0
197.58473	1.2
215.78529	1.3
221.22693	1.4
239.23671	14.3
257.24646	5.9
313.27322	100.0
331.28387	78.9
465.25226	1.4
539.28674	6.3
574.35736	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53439	4.1
55.01882	7.8
55.05517	35.0
57.03445	10.5
57.07075	7.2
59.05019	4.4
66.92807	4.1
67.05506	93.8
67.60704	4.3
69.03428	36.7
69.07074	34.8
71.04971	8.6
79.05499	94.4
81.03419	38.6
81.07058	90.3
83.04977	5.4
83.08611	25.3
85.02898	30.0
85.06561	10.2
90.72538	4.8
91.05484	72.9
93.00336	4.1
93.07047	100.0
95.04971	20.9
95.08612	52.8
96.35793	4.3
97.02876	8.3
97.06516	7.9
99.04456	8.4
99.41741	4.9
102.01107	4.5
105.07047	74.7
106.54442	6.3
107.04942	8.7
107.08595	52.4
109.02869	11.8
109.06528	8.5
109.10157	50.1
117.07011	30.6
119.08569	70.3
121.06509	20.6
121.10146	47.5
127.03928	28.4
128.17938	4.5
129.07019	9.5
131.08572	55.7
133.10126	77.1
135.08012	5.8
135.11687	19.8
143.08600	22.2
145.10161	46.0
147.08073	7.1
147.11685	32.7
149.09601	6.4
149.13322	18.1
155.68556	4.9
157.10126	30.7
159.08110	7.4
159.11674	51.3
161.13248	20.8
163.11223	6.5
163.14761	5.4
169.10162	6.6
171.11719	23.1
173.11838	5.7
173.13254	25.3
175.14758	10.1
183.11745	6.3
185.13261	18.9
197.13281	9.5
259.20514	20.2
275.20053	22.1
277.21671	11.8
300.61328	5.3
314.27606	8.0
320.09381	9.4
334.10779	7.0
336.12173	51.3
343.26404	22.7
361.27405	24.6
367.22504	5.8
374.77618	5.5
385.23672	8.6
403.24689	22.6
421.25949	20.8
431.11063	5.4
505.31653	5.9
574.35828	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56845	2.4
55.01878	3.0
55.05521	5.2
57.03446	3.1
57.07083	24.7
67.05508	28.6
69.07081	7.3
71.08633	21.9
74.39211	3.2
79.05484	5.2
81.07063	32.2
83.04983	16.1
83.07263	2.7
83.08627	12.5
84.82095	2.8
85.10188	16.7
91.05510	4.0
93.07063	12.0
95.08622	26.8
97.06533	6.1
97.10170	4.8
101.37579	3.0
101.81186	3.2
107.08596	5.5
107.17448	3.0
109.10139	19.6
111.04449	47.0
111.08083	13.9
114.48468	2.9
117.07060	3.4
119.08610	4.2
121.10125	11.5
123.11672	3.6
131.08536	5.2
135.11658	20.7
145.10149	15.2
147.11702	3.8
148.31850	3.3
153.12744	36.8
163.11168	46.6
165.12730	3.7
173.09636	5.4
181.12225	56.0
191.10637	25.4
209.11751	4.8
227.12796	23.6
277.87650	3.7
278.22006	3.0
283.15350	49.3
295.22556	3.4
296.23022	5.0
301.16394	12.5
307.60800	3.1
313.27350	29.1
521.38086	5.9
539.39404	100.0
574.46014	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	6.4
57.03439	3.1
57.07082	35.1
58.07429	2.5
63.83508	2.6
67.05515	18.2
69.07069	17.4
71.08637	29.4
72.08972	3.3
81.07057	29.5
83.04972	3.7
83.08616	22.0
85.10181	19.0
91.05504	2.8
93.07037	5.0
95.08604	32.4
97.06539	5.2
97.10182	6.0
98.98472	17.9
99.04470	4.9
105.07046	4.6
107.08572	5.5
109.10160	17.6
110.10521	2.8
111.04462	15.9
119.08575	4.0
121.10127	5.0
123.08054	3.1
123.11706	6.0
133.10129	5.9
135.11774	5.0
137.05983	100.0
137.13277	6.5
147.11655	5.7
149.09627	4.0
149.13301	4.6
155.01059	21.7
161.09619	4.0
161.13135	3.1
163.14787	3.2
175.11205	4.6
189.11012	2.8
203.17995	6.6
209.39861	2.9
231.17535	12.6
232.39099	2.8
263.23950	3.6
265.96115	3.0
277.17963	84.6
280.26392	21.6
284.23489	3.0
295.19150	22.3
313.27460	35.4
313.64035	2.7
314.27692	77.7
331.28317	4.1
336.12210	4.7
372.71146	3.6
389.75134	2.7
394.23886	3.6
402.65848	2.7
429.19067	3.6
431.72238	3.0
485.29065	4.7
538.28308	10.1
574.20721	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
56.40118	2.0
61.11782	2.3
67.05508	28.1
69.07069	11.5
79.05501	6.1
81.07062	36.4
83.08594	4.2
89.01544	2.5
91.05436	2.4
93.07050	12.6
95.08612	32.6
98.09739	3.4
105.07005	4.4
107.08586	5.8
109.10172	10.6
115.14691	2.8
121.10125	5.4
123.11729	4.1
131.08551	4.0
133.10197	3.5
145.10118	5.3
278.24567	2.6
279.23087	4.5
296.25876	10.2
574.48315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85134	1.4
52.35686	1.4
53.00813	1.5
55.05519	7.5
56.05035	2.3
57.07071	3.7
60.04531	79.7
67.05509	20.9
69.07059	10.2
79.05489	13.7
81.07065	24.5
83.08603	9.0
86.06055	2.9
91.05476	16.9
93.07037	20.6
94.06562	3.0
95.04970	3.0
95.07336	1.9
95.08604	28.4
96.08143	2.5
97.10154	2.5
105.07021	18.0
107.08589	17.3
109.06467	2.1
109.10146	14.0
113.29422	1.6
117.07034	3.8
119.08570	18.3
121.10120	11.0
123.11745	2.7
131.08534	2.4
133.10103	15.0
135.11691	11.3
140.15094	1.7
143.08606	2.0
145.10181	3.9
147.11705	9.2
159.11655	3.7
161.13245	4.5
175.14845	2.0
185.13196	2.1
241.19493	2.3
245.10666	1.8
245.46002	1.9
259.20547	8.3
262.25266	20.0
280.26218	16.6
296.26050	2.5
298.27411	13.6
316.28604	3.0
320.09082	3.7
538.46167	8.7
556.47253	100.0
574.31409	3.1
574.39917	3.4
574.48187	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.9
55.67587	1.9
57.07074	3.2
59.71286	2.0
60.04529	69.3
67.05513	22.0
67.84969	2.1
69.07060	10.7
70.88634	2.0
75.15059	2.2
79.05502	20.7
81.07056	22.5
83.08605	4.1
85.90464	2.1
91.05473	15.9
93.07047	16.9
94.06569	4.1
95.08592	16.5
97.10146	3.2
105.07043	17.1
107.08589	10.7
109.10180	4.1
110.17266	2.5
117.07044	3.8
119.07851	2.6
119.08566	20.6
121.10120	9.9
131.08490	3.6
133.10156	23.3
135.11719	5.2
145.10202	2.9
147.11665	4.0
161.13197	2.5
171.11603	4.4
173.13264	3.2
186.13756	3.1
241.19473	2.6
259.20630	5.7
261.22079	2.4
262.25235	12.9
270.00369	2.7
280.26425	13.6
298.27490	10.5
316.28531	4.0
320.09229	10.7
336.12268	5.2
451.29050	2.4
538.45862	4.8
556.47278	100.0
574.31183	3.4
574.48383	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43152	0.7
67.64437	1.0
69.03435	12.7
73.02954	0.8
74.61369	1.0
81.03428	7.0
82.80159	0.9
85.02908	13.1
95.04988	1.1
97.02894	58.5
99.04448	5.7
109.02882	8.0
115.03948	9.6
123.04433	37.2
127.03912	12.0
140.04688	4.4
145.04945	5.9
153.05461	5.4
168.04160	2.0
183.06531	100.0
184.68304	1.0
185.08057	5.8
199.06070	2.1
223.06044	1.2
227.09233	1.5
241.07065	9.6
259.08090	6.6
293.10284	1.1
296.83640	1.2
320.57471	0.9
340.91199	1.1
402.47388	1.2
413.13986	1.3
443.15491	8.2
457.51694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43152	0.7
67.64437	1.0
69.03435	12.7
73.02954	0.8
74.61369	1.0
81.03428	7.0
82.80159	0.9
85.02908	13.1
95.04988	1.1
97.02894	58.5
99.04448	5.7
109.02882	8.0
115.03948	9.6
123.04433	37.2
127.03912	12.0
140.04688	4.4
145.04945	5.9
153.05461	5.4
168.04160	2.0
183.06531	100.0
184.68304	1.0
185.08057	5.8
199.06070	2.1
223.06044	1.2
227.09233	1.5
241.07065	9.6
259.08090	6.6
293.10284	1.1
296.83640	1.2
320.57471	0.9
340.91199	1.1
402.47388	1.2
413.13986	1.3
443.15491	8.2
457.51694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	4.1
55.05527	49.9
57.07088	9.8
57.34885	3.2
60.62138	3.3
67.05515	69.6
69.03438	4.8
69.07071	42.3
71.08631	25.1
71.26478	3.6
79.05495	37.1
81.07060	100.0
83.08620	40.6
91.05489	25.6
93.07042	58.0
95.08614	80.9
97.06532	6.4
97.10175	52.4
105.07026	29.3
107.08586	47.7
109.10168	42.7
117.06989	4.7
119.08563	48.1
121.10133	41.7
123.11714	8.3
125.09614	33.5
129.06995	4.5
131.08577	25.3
133.10143	21.4
135.11758	32.0
137.13286	5.7
143.08548	6.5
145.10120	28.1
147.11687	18.5
149.13252	16.9
157.10141	6.9
159.11681	17.0
161.13220	28.8
163.14838	7.2
171.11591	8.9
175.14824	27.4
187.13316	5.7
187.14870	9.3
189.11119	6.2
189.16429	7.4
201.16438	14.8
279.23367	4.6
291.23117	5.3
371.33005	20.2
389.34131	86.0
403.35385	5.4
461.36212	21.1
475.37967	5.7
539.44342	21.6
540.45416	7.4
557.45496	96.3
557.63013	4.3
575.46478	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
57.53050	1.0
67.05537	1.1
75.72715	1.1
85.41436	1.1
94.12797	1.2
95.50775	1.2
97.10133	1.4
115.69348	1.1
125.09634	2.2
126.51535	1.1
137.69711	1.2
170.98799	1.4
189.11209	1.5
190.05008	15.6
193.69492	1.2
194.95604	1.3
264.62958	1.3
292.06110	1.7
292.09616	1.3
295.22629	1.6
315.84659	1.9
320.05728	2.1
320.09161	18.3
334.10593	2.6
336.08585	13.4
336.12259	2.4
341.06696	1.8
352.08221	1.4
364.08124	22.5
380.17355	1.5
410.10181	14.4
412.20319	1.4
438.09540	13.6
439.10538	4.9
454.09131	8.2
456.10745	1.9
467.09912	5.0
469.11304	1.9
470.08878	2.9
472.09900	2.1
482.08643	5.1
484.10147	7.4
485.10965	8.3
498.12375	13.5
513.10248	6.1
544.12390	100.0
576.16748	5.6
576.25696	16.5
591.27637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18238	0.8
55.62704	0.5
83.27904	0.7
88.06348	0.9
124.93099	0.7
148.39453	0.7
162.64688	0.7
190.04953	13.8
214.98560	0.7
223.23921	0.8
239.75809	0.7
256.44687	0.7
266.62039	0.8
305.06772	0.9
320.08987	1.1
334.10672	2.5
336.08618	11.0
336.12204	2.4
338.10419	0.8
341.06375	4.2
364.08130	19.2
410.10260	14.4
438.09665	13.3
439.10336	3.0
440.11057	0.9
454.09409	6.9
467.09964	1.5
469.11322	1.1
470.08960	1.0
482.08704	4.6
484.10104	7.1
485.11172	7.6
498.12222	14.8
513.10468	6.0
544.12384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90186	0.6
60.20363	0.7
92.20856	1.3
96.02126	0.7
110.68602	0.7
166.77089	0.7
171.90062	0.7
182.85410	0.7
189.94032	0.7
190.05003	0.9
199.07376	0.7
210.74977	0.8
318.07730	1.7
319.08392	7.5
320.09137	1.2
322.10840	1.4
323.11618	3.0
334.10730	23.4
336.12259	1.7
338.13849	6.8
350.06610	1.5
352.15536	1.3
392.10989	6.1
433.86993	0.7
458.08670	5.5
459.09595	1.1
469.07611	1.0
470.09308	0.9
472.06433	7.4
474.11789	2.9
484.10413	5.7
486.08252	4.1
487.08801	15.1
490.11145	3.2
502.11325	88.1
516.12860	1.6
518.10876	3.4
576.14935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73388	1.0
66.69469	0.9
68.55738	0.7
70.06599	1.1
84.43714	0.7
121.02845	3.9
137.05971	1.4
147.04497	1.2
149.05981	1.3
162.05467	1.2
163.13029	0.8
167.07028	16.1
167.50201	0.9
179.07069	0.8
187.03905	6.2
207.08051	4.4
215.53365	0.9
235.07573	15.0
238.06129	1.1
249.05565	1.3
252.07828	3.5
253.08533	9.0
262.06265	6.6
262.08694	1.2
263.07031	20.0
266.05627	1.0
267.10193	1.5
277.08963	1.3
279.06314	2.8
280.07263	5.6
280.09821	4.6
281.08041	21.3
282.08777	1.7
290.05740	3.5
291.06406	1.3
294.07819	1.7
295.09589	3.7
298.08130	3.5
307.08472	3.5
308.06577	12.8
309.07367	11.1
309.09952	1.0
310.07587	1.2
313.10693	21.5
323.09100	31.1
324.08646	1.0
325.09567	4.7
326.07681	7.0
330.13297	3.4
340.11948	9.5
341.10251	22.8
358.12857	18.8
488.90439	1.1
501.29129	1.1
540.20386	1.4
576.16968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06560	0.2
53.87579	0.2
79.34917	0.3
92.20927	0.4
92.41847	0.3
99.27464	0.3
99.67173	0.3
127.58432	0.3
216.93156	0.3
292.09674	3.3
294.11072	0.3
308.09436	0.3
318.07605	0.5
319.08231	0.4
320.09171	100.0
322.10583	0.3
323.11548	1.2
334.10834	1.0
336.12387	1.2
337.12625	0.3
338.13721	3.9
394.89301	0.3
576.22333	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
106.65542	0.5
117.79620	0.4
291.12326	0.5
308.12811	15.4
320.09134	4.7
320.12854	3.4
321.10025	0.7
322.10773	8.1
323.11551	0.6
334.10849	0.6
336.12292	25.0
337.10046	0.8
337.13071	34.4
352.15436	100.0
440.36276	0.5
451.15225	0.4
576.22565	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95610	0.3
55.82711	0.3
56.90178	0.3
58.96458	0.3
64.22870	0.3
65.15614	0.3
66.13387	0.3
81.90747	0.4
97.48793	0.4
107.57603	0.4
125.84754	0.4
197.73230	0.3
235.68257	0.4
243.93103	0.3
276.11343	0.4
292.09662	4.2
293.19293	0.3
306.07654	0.6
319.08423	1.3
320.09164	100.0
321.09076	2.5
322.09875	0.4
334.07031	0.7
334.10855	2.1
335.11008	1.4
336.12000	5.6
337.12076	1.8
338.10867	0.4
456.88464	0.4
576.22351	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79299	0.2
52.15222	0.2
56.35772	0.2
75.32093	0.3
75.36048	0.3
79.66066	0.3
89.93891	0.3
129.15199	0.3
140.62674	0.3
171.57285	0.3
290.08249	0.4
292.09747	3.3
294.11044	0.7
319.08447	1.5
320.09167	100.0
321.09912	0.5
322.10648	1.6
323.11630	2.8
334.10788	1.3
336.12320	2.8
337.12692	0.6
338.13794	5.7
347.04501	0.3
414.16458	0.5
576.22418	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
91.84293	0.2
92.21497	0.3
162.13504	0.3
177.86102	0.4
184.16035	0.2
220.05417	0.2
221.57820	0.2
290.07721	0.3
292.09680	2.8
294.82904	0.2
309.51492	0.2
320.09164	100.0
336.12204	0.4
437.13962	0.3
546.75537	0.3
576.22241	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83023	0.2
70.71997	0.2
72.29428	0.2
75.85302	0.2
76.89276	0.2
79.99772	0.2
80.46715	0.2
85.02832	0.3
96.19302	0.2
97.02844	0.4
104.47033	0.2
115.16051	0.2
116.92835	0.2
175.06238	0.4
277.81543	0.3
279.96588	0.2
290.08163	0.3
292.09705	3.0
294.11157	1.5
308.09119	1.0
318.07617	0.4
319.08237	0.4
320.09174	100.0
321.09753	0.5
322.10651	3.2
323.11447	5.1
327.12207	0.3
328.12634	0.6
334.10818	1.9
336.12244	1.8
338.13840	14.1
380.15073	0.4
391.95941	0.3
396.89255	0.3
515.87268	0.3
576.22430	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33051	0.9
53.23588	1.1
53.65210	0.8
53.83529	1.0
57.24104	0.8
74.79633	1.0
85.50201	0.9
86.52212	1.1
99.35474	0.9
103.20191	0.9
103.34375	1.1
148.95123	1.2
167.07021	1.2
242.80724	1.2
292.09863	6.1
306.11526	1.3
308.09680	1.7
308.12720	10.2
320.09186	100.0
320.12280	7.1
321.09930	6.4
322.10699	8.7
323.11472	2.1
328.52020	1.2
334.10941	5.8
335.11755	1.8
336.12280	36.7
336.15933	1.7
337.12994	30.2
338.13837	2.5
348.12448	6.0
350.13867	7.4
352.15408	73.0
421.55060	1.5
576.22485	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48473	0.6
64.62694	0.7
66.06358	0.7
74.67381	0.8
90.25894	0.7
122.21410	0.7
127.00523	0.9
169.28937	0.8
212.36125	0.8
213.77078	0.8
227.86835	0.9
292.09842	1.1
306.08057	1.0
306.11401	1.5
308.09348	1.7
308.12744	16.4
320.09174	37.3
321.10089	5.3
322.10681	9.8
323.11649	1.9
334.10852	3.6
335.11734	1.6
336.12296	37.0
337.13052	31.9
338.14072	1.6
348.12482	4.9
350.13882	8.9
352.15430	100.0
368.14883	1.0
368.73553	0.9
456.59851	0.9
488.45459	1.0
523.92474	0.8
576.22400	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03429	2.0
58.06604	1.7
60.28966	1.6
61.82755	1.6
66.10160	1.7
69.03423	11.4
70.06590	4.6
78.51027	1.9
79.78714	2.9
81.03417	9.9
84.04488	2.4
85.02912	29.0
86.06070	19.4
87.04462	16.6
97.02888	11.8
98.06064	23.8
99.04459	12.1
104.07114	3.7
107.04949	32.9
109.02900	9.9
110.06052	2.5
116.07098	4.9
121.06474	2.2
124.45657	2.2
125.04779	3.4
126.05538	12.2
127.03941	9.7
128.07098	4.3
134.06085	3.8
137.05989	12.8
137.79776	2.2
138.09061	2.1
140.07114	2.7
143.07037	4.0
145.04959	2.7
147.04420	8.1
148.04797	2.7
149.06017	2.2
158.08095	3.1
164.07109	4.7
166.08643	9.0
166.83652	2.0
176.07045	25.7
177.05553	2.5
180.06511	2.5
182.08116	16.4
194.08113	60.5
198.09142	2.4
212.09151	32.5
217.10712	10.8
230.10129	17.5
235.11725	3.8
248.11328	12.7
268.09744	9.8
272.72171	2.2
298.12976	3.9
319.98364	2.0
378.15552	13.3
396.16425	19.0
414.17419	3.7
430.14948	2.3
469.66122	2.0
522.19702	7.8
540.20306	4.2
541.98163	2.4
558.21741	54.3
576.13885	4.6
576.22742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
63.50600	0.3
63.62665	0.3
67.80103	0.3
69.03418	0.4
70.95328	0.3
81.03412	1.9
85.02904	1.6
87.69514	0.3
97.02868	1.5
99.04461	23.1
103.05468	2.4
107.04932	0.6
117.05486	2.9
120.08102	100.0
127.03892	0.7
131.04895	3.6
149.06004	2.1
166.08624	46.7
167.35851	0.3
221.98003	0.3
261.09680	6.1
393.13690	0.6
405.19983	0.4
511.04755	0.5
576.23065	0.5
599.52789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
56.91592	0.4
58.06584	0.6
69.03422	1.7
81.03427	4.0
85.02882	2.8
97.02885	1.7
99.04463	16.6
107.04929	0.7
109.02869	0.5
121.06557	0.5
123.04410	8.0
126.00813	0.4
127.03925	0.9
137.05992	3.6
140.99948	0.4
143.04919	4.9
145.22098	0.4
161.05984	1.0
175.07516	5.6
177.07854	3.1
180.10172	0.9
192.10197	100.0
206.90450	0.4
210.43935	0.6
253.08615	0.6
284.12711	0.6
285.11316	3.8
316.15442	16.4
327.58838	0.5
576.24451	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03440	10.0
59.04998	2.3
61.02920	2.3
69.03432	42.3
73.02938	2.3
81.03419	5.7
85.02905	100.0
85.06538	7.2
87.04473	43.0
88.10172	1.4
91.03960	7.6
97.02896	51.4
99.04444	9.5
103.07572	12.1
109.02903	8.5
109.06563	2.1
110.17719	1.4
113.24664	1.9
115.03934	52.5
117.05510	2.2
124.65845	1.4
127.03918	29.7
133.04948	36.9
136.01662	1.5
137.05963	2.3
145.04951	38.2
147.17004	1.5
147.18181	1.4
151.07562	1.6
163.06055	12.2
217.10762	10.6
221.56625	1.4
223.05827	2.1
229.10811	1.8
235.11546	1.7
247.11775	17.4
252.60706	1.5
259.08060	3.6
265.12808	24.3
268.09671	8.8
295.10211	11.7
325.11264	11.2
355.21094	1.6
428.24414	1.5
476.54422	1.7
576.20758	7.1
577.95197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.05044	18.3
56.20594	0.5
57.82469	0.6
58.32204	0.6
67.05514	5.0
69.07078	1.2
74.06072	3.1
81.07060	3.7
83.08629	1.3
87.04468	1.3
93.07070	1.1
95.08603	3.0
99.04432	0.9
109.10146	1.6
114.72710	0.6
121.10113	0.8
138.89030	0.7
142.08640	100.0
160.09686	4.5
188.91711	0.6
189.82129	0.6
240.06384	0.7
286.72681	0.7
322.10608	1.3
337.27426	12.9
527.41486	0.8
558.32220	4.9
576.32935	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07424	1.1
59.56687	1.1
67.05498	2.2
67.51807	1.0
69.07059	2.4
73.54138	1.0
76.88277	1.0
81.03425	1.7
81.07054	7.7
83.04977	1.8
85.02915	2.0
85.06544	1.2
86.96187	1.4
93.07053	1.3
95.08613	2.8
97.06503	1.3
98.13635	1.3
99.04487	1.9
105.07029	1.3
107.08591	2.9
109.02913	4.6
109.06541	1.7
109.10177	2.2
111.04436	16.9
119.08602	1.9
121.06447	1.6
121.10143	2.4
123.08060	2.0
125.06011	5.9
129.05034	1.4
133.10114	4.8
135.08023	2.4
135.11710	8.1
137.05972	100.0
137.09621	1.5
137.13246	2.0
141.45604	1.1
145.10178	1.4
147.11681	5.6
149.09637	2.9
149.13295	1.4
151.11272	1.2
161.09639	7.2
161.13297	1.4
163.11180	2.6
165.09119	2.6
175.11205	6.7
179.10721	2.0
203.18011	9.5
213.16385	1.8
221.19176	2.4
231.17416	17.4
241.15800	1.5
249.18500	11.2
277.17963	49.2
292.09641	1.8
295.18994	16.2
320.09097	5.7
321.09909	6.2
322.10342	1.4
336.12192	15.6
337.12543	2.3
338.13187	2.8
352.15451	2.0
359.11017	1.3
361.23654	17.7
379.24734	12.2
403.21152	6.6
421.22177	7.1
429.88123	1.3
439.23346	13.2
534.11340	1.3
576.26971	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77221	0.5
54.99541	0.5
58.06587	0.7
60.08170	12.1
60.24009	0.4
67.05489	0.6
69.07124	0.6
71.07375	2.7
71.08617	0.6
71.37852	0.5
80.90138	0.6
81.07073	0.7
86.09705	41.4
91.59044	0.6
95.08607	0.6
98.98496	0.6
104.10743	86.7
119.08594	0.7
124.99986	18.5
128.63420	0.6
163.01434	0.5
165.12750	1.1
168.57076	0.6
177.78853	0.6
184.07332	100.0
262.15231	0.6
263.20651	0.6
310.81030	0.7
319.26300	1.3
445.47665	0.7
446.48071	0.6
558.35547	5.4
576.36603	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52154	0.2
56.05027	0.2
58.06581	0.2
60.08171	5.2
66.17535	0.2
67.05500	0.3
67.14547	0.2
71.07348	1.5
71.64261	0.2
86.09706	22.8
87.86141	0.2
98.98455	0.4
104.10748	2.1
124.99999	11.9
130.03857	0.2
142.12288	3.3
165.12808	0.3
174.11884	0.2
184.07335	100.0
209.12363	0.2
261.06796	0.2
346.83572	0.2
349.26874	0.2
503.13889	0.2
558.35730	1.3
566.42517	0.3
576.36621	17.4
576.50677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4988
Annotation	3-methylaminobacteriohopanetetrol
Peak:m/z	Relative Intensity
51.04053	2.2
53.10012	2.2
55.05526	4.7
57.07083	4.3
59.33836	2.7
60.04533	91.2
67.05511	27.8
69.07063	14.9
71.08640	4.0
72.04494	2.8
76.58533	2.9
79.05492	16.3
81.07072	33.9
83.08620	5.9
91.05482	10.2
93.07044	26.3
95.08619	28.4
105.07047	5.2
107.08606	15.6
109.10159	14.4
119.08579	16.2
121.10139	12.1
131.08618	2.8
133.10095	13.2
135.11694	3.2
137.83957	2.8
199.95920	3.0
262.25311	27.4
280.26315	19.5
294.11148	4.1
298.27365	12.9
299.06638	2.7
308.09286	3.1
316.28467	5.8
323.11591	15.3
338.13788	30.2
540.47662	5.6
558.48859	100.0
576.36780	11.0
576.40668	3.7
576.49915	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07653	5.2
54.08256	5.1
60.04527	38.2
67.05502	11.2
69.07068	5.7
69.39751	6.0
81.07052	8.8
95.08614	12.0
108.39707	7.5
112.73159	6.8
119.08595	8.6
203.10730	6.6
262.25262	9.9
318.95834	9.2
323.11456	53.7
338.13849	100.0
558.48975	29.3
576.36646	80.8
576.49615	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	5.9
58.63614	4.0
59.05008	8.6
67.05508	24.5
69.07085	7.9
79.49905	4.2
81.07066	21.3
83.08611	9.0
91.05511	6.3
93.07027	5.3
95.08608	22.8
97.10171	6.3
103.07536	5.4
109.10144	7.9
111.76137	5.0
121.10098	9.2
131.93994	5.2
133.73923	4.8
135.11667	5.7
204.73926	4.7
206.25352	5.1
257.15268	5.1
280.26526	7.2
297.29016	19.2
559.51892	8.9
576.55151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81104	0.2
53.19721	0.2
56.39280	0.2
60.25812	0.2
71.04998	0.3
85.02897	1.1
88.53845	0.2
99.04448	0.3
121.00687	0.2
209.43715	0.2
211.22743	0.3
225.20454	0.2
242.05811	0.4
270.05225	1.5
285.07559	100.0
336.12442	0.4
337.12643	0.3
338.13217	0.2
340.50433	0.2
431.13190	1.1
504.90280	0.3
577.18915	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
67.05500	0.7
70.71907	0.6
76.26746	0.5
81.07053	1.0
95.08597	0.6
96.53385	0.6
112.34418	0.5
137.42989	0.7
173.13208	0.6
205.66545	0.5
214.99202	0.5
290.08121	9.3
302.08176	2.3
303.08783	0.6
304.05966	10.7
318.07599	11.7
319.08395	52.5
321.10141	0.9
334.10724	100.0
336.12274	4.3
337.12668	3.7
577.19537	31.8
577.27008	2.0
577.37286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39738	1.3
52.52602	1.4
55.01879	2.0
55.05515	3.5
57.03441	3.0
57.07068	1.4
61.02953	1.4
67.05513	18.1
69.03439	3.1
69.07059	8.0
71.05009	2.4
73.02917	7.8
79.05499	27.9
81.03411	1.7
81.07066	29.9
83.08614	3.1
83.29896	1.6
85.02908	9.6
85.06536	1.9
88.43256	1.6
91.05473	19.7
91.28135	1.5
93.07042	41.6
95.08610	22.9
99.04453	9.6
105.07032	33.6
107.08585	26.8
109.02884	16.6
109.10167	12.9
110.03645	2.2
111.04411	7.3
117.07021	10.5
119.08584	38.5
121.06548	2.6
121.10151	21.4
122.62106	1.6
123.08018	2.7
123.11686	1.9
127.03908	7.9
129.06992	3.3
131.08582	14.6
132.99565	2.4
133.10127	39.4
135.11694	22.2
143.08563	7.0
145.10155	21.0
147.11697	36.4
149.13258	11.3
157.10114	10.7
159.11673	19.1
161.13239	24.3
161.91177	1.8
163.11115	2.8
163.14784	4.1
171.11720	13.9
173.13252	9.9
175.11205	1.8
175.14816	8.6
185.13237	10.4
191.00117	3.1
199.14847	8.5
202.82700	1.7
213.18663	1.7
231.21149	2.6
241.19397	14.8
243.21162	2.3
259.20560	62.3
266.93408	1.8
289.82809	1.5
291.51520	1.7
292.09314	1.7
320.09125	3.0
321.09888	6.5
322.10443	6.5
333.24234	7.1
335.25626	1.7
336.12296	16.3
337.12573	15.1
338.13974	1.7
339.14029	2.2
351.25284	100.0
367.22687	1.9
485.21851	2.7
551.98755	2.2
559.25500	15.3
577.26617	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09495	1.3
55.01876	4.0
55.05513	6.9
57.03448	2.4
57.07082	1.5
59.40630	1.3
67.05505	22.9
69.03427	3.8
69.07059	7.7
71.04969	2.1
73.02901	6.6
79.05502	24.7
81.03403	3.1
81.07050	24.1
83.08608	2.8
83.83752	1.6
85.02892	3.3
85.06522	2.1
87.50413	1.5
91.05460	22.4
93.07037	35.0
95.04969	1.9
95.08594	20.2
97.02884	3.5
97.06535	3.0
97.10146	1.7
99.04439	7.5
99.08102	2.7
105.07031	34.3
107.08569	27.9
109.02857	14.3
109.10147	10.5
110.03663	2.0
111.04449	7.4
117.06999	8.5
119.08572	33.5
121.06496	2.4
121.10138	24.3
123.08036	2.7
123.11708	2.2
127.03892	9.1
129.07002	7.6
131.08578	17.1
132.99556	3.0
133.10124	43.5
135.11700	24.8
143.08522	8.1
145.10115	18.0
147.11685	41.1
149.09662	3.0
149.13263	18.0
157.10095	7.1
159.11684	20.2
161.13223	23.3
163.11179	2.8
163.14774	3.4
171.11723	11.5
173.13248	8.0
175.14783	8.7
185.13245	12.3
187.14803	3.1
191.00089	6.5
199.14828	6.2
211.31412	1.6
231.21075	3.5
241.19478	15.3
259.20529	61.8
292.09723	1.8
320.08969	3.1
321.09949	11.6
322.10190	10.9
333.24173	1.9
334.10641	1.7
336.12231	25.5
337.12598	25.0
351.25269	100.0
467.20721	2.3
474.63443	1.7
485.21997	2.6
523.23389	2.1
559.25616	22.2
577.26392	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.2
55.29684	1.9
57.03438	12.3
57.07084	2.1
58.02781	1.8
60.68278	1.8
66.25659	2.5
66.79065	2.1
67.05518	31.3
69.07071	4.3
79.05499	26.3
81.03416	10.7
81.07065	30.9
83.08619	13.2
91.05475	17.2
93.07047	41.6
95.04991	2.7
95.08609	44.2
97.10191	2.3
97.97072	2.5
98.98469	80.5
105.07024	14.4
107.08598	38.1
109.02858	10.5
109.09502	2.5
109.10168	15.6
117.07021	9.3
119.08595	12.9
121.10150	31.3
131.08554	20.0
133.10147	10.6
135.11719	20.9
138.92982	2.1
139.82700	2.0
145.10187	16.1
147.11710	4.8
149.09686	2.9
149.13226	21.9
155.01041	100.0
159.11719	5.7
161.13235	11.5
163.14818	14.1
173.13255	13.2
174.09340	2.4
177.16417	4.7
201.16362	3.5
203.32448	2.5
233.22662	3.7
237.85207	2.3
243.02403	2.5
243.21059	45.7
261.22144	55.8
291.19049	2.3
298.11847	2.5
311.30273	2.6
317.06281	27.4
320.09305	3.2
321.09628	3.8
322.09818	2.5
335.07404	3.8
335.25842	87.5
336.12283	5.8
352.66696	2.5
415.22342	10.5
559.26428	14.6
577.27100	13.5
577.37604	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92667	2.6
55.05526	3.2
57.02861	2.6
57.03441	5.1
67.05511	37.4
69.07047	4.6
71.03392	2.4
73.35775	3.0
79.05504	27.8
81.03425	4.8
81.07053	37.2
83.08635	5.7
91.05463	11.9
93.07037	44.4
95.08595	36.6
98.98471	81.1
105.07027	15.4
106.51563	3.3
107.08603	30.7
109.02867	4.2
109.10168	19.2
117.07024	3.4
119.08585	4.8
121.10152	27.1
123.11697	5.3
131.08595	21.5
133.10117	11.3
135.11731	27.9
145.10103	13.9
147.11717	12.7
149.09616	4.1
149.13243	18.8
155.01031	100.0
159.11739	6.9
161.13290	6.2
163.14792	6.2
173.13245	12.8
187.14845	5.3
223.19582	2.9
231.69484	4.1
233.22580	4.8
243.21059	39.6
261.22119	49.0
289.14630	3.0
317.06354	30.1
317.24619	5.6
320.09100	15.2
321.09613	4.6
325.18988	3.2
335.07474	4.6
335.25772	88.7
336.12305	13.3
400.25568	3.3
415.22400	7.2
423.27069	3.3
556.77081	3.4
559.26331	18.1
577.27844	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
55.96816	1.8
57.03432	4.1
57.07083	3.4
62.73266	1.9
67.05510	23.4
69.07063	4.2
69.21393	2.1
71.04989	2.4
71.25307	1.9
79.05502	32.8
81.03432	5.3
81.07062	38.3
83.08622	4.7
91.05494	10.2
93.07055	36.9
95.08613	35.4
97.06506	2.6
97.10136	2.0
98.98471	72.4
105.07049	12.0
107.08587	32.2
109.02878	11.6
109.10126	15.2
113.99319	2.2
117.07015	2.5
119.08587	11.1
121.10146	38.7
123.11727	5.1
131.08543	15.3
133.10172	10.8
135.11713	18.3
137.13222	3.5
145.10132	11.2
147.11668	10.6
149.09679	2.7
149.13269	16.7
155.01031	100.0
159.11679	16.3
161.13258	4.6
163.14796	12.1
173.13206	15.7
175.14601	2.3
177.16356	2.3
187.14838	4.6
222.75288	2.3
233.22621	3.4
243.21059	36.2
261.22144	54.6
290.08289	3.1
317.06305	25.5
319.08429	12.1
320.09003	7.8
321.09479	4.5
334.10590	17.8
335.07480	3.9
335.11081	14.2
335.25787	70.1
336.12381	2.7
337.12564	3.0
415.22330	10.7
439.91013	2.6
559.26489	18.8
577.19757	9.6
577.27094	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89908	0.5
53.03949	3.3
53.88253	0.5
55.58528	0.5
57.37595	0.5
62.96590	0.6
69.03432	2.9
71.04993	1.2
73.71156	0.5
78.09931	0.6
78.14938	0.6
79.38902	0.5
81.03410	8.1
81.07074	0.9
85.02895	5.8
89.36990	0.6
91.78874	0.6
97.02900	4.7
99.04456	100.0
109.02883	3.9
117.05501	8.0
127.03922	4.2
137.13266	1.4
145.04961	2.5
171.02696	0.7
182.56587	0.7
243.08665	2.8
261.09683	13.2
319.08414	1.5
320.08990	1.4
321.09335	0.8
323.11185	1.0
334.10602	3.1
335.11023	0.8
336.12280	5.2
337.12744	3.8
338.13382	3.1
339.14130	0.9
339.38046	0.8
352.15353	4.4
353.15631	7.1
387.12598	0.9
423.14993	3.1
478.26987	0.8
577.16101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60722	0.6
53.90013	0.6
55.39450	0.6
65.47816	0.6
66.63290	0.6
67.05514	0.9
81.07046	3.0
95.08598	1.4
99.11734	0.7
109.10159	1.0
128.93005	0.9
135.11693	0.8
149.89479	0.7
159.36568	0.7
329.78369	0.7
463.76938	0.8
474.11484	0.8
577.40747	100.0
577.53687	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.6
57.07081	8.4
67.05502	14.0
69.07066	18.8
71.08624	4.1
81.07080	22.4
83.08616	10.7
91.05511	2.8
93.07032	3.7
95.08612	21.3
97.06545	4.0
97.10168	4.1
100.07638	4.3
105.07040	3.6
107.08586	3.2
109.10176	22.9
111.08098	2.5
114.09150	2.5
119.08559	3.6
121.10178	3.6
123.11681	3.4
130.56863	2.3
133.10063	2.5
135.11693	3.3
141.77258	2.5
147.11671	3.6
149.13283	2.8
151.95033	2.5
156.03621	2.3
161.13278	3.7
174.57727	2.1
177.16431	2.8
191.03949	2.9
199.02763	2.1
245.22736	11.3
263.23679	14.7
280.26349	100.0
428.70041	11.4
429.19818	3.4
475.02905	2.8
559.52008	4.2
563.34326	2.2
577.41583	2.2
577.52100	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02196	6.2
52.95982	6.1
57.07089	11.6
62.63722	7.8
67.05492	27.4
69.07058	16.9
73.94014	7.2
79.05546	7.0
81.07058	37.6
83.08598	15.3
93.07007	10.3
95.08592	41.3
97.10152	10.4
101.00616	7.2
105.32074	7.3
109.10135	12.4
112.60808	7.6
121.10157	9.1
123.11731	8.8
151.00893	8.0
159.11826	8.2
161.11006	8.0
175.99472	7.5
177.17007	9.4
184.07312	37.5
245.22867	9.6
263.23505	14.7
280.26297	100.0
337.12128	11.6
376.81021	8.2
428.19983	12.2
428.69955	34.0
481.54172	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48787	0.2
92.21590	0.3
93.87719	0.2
107.37734	0.3
147.31041	0.3
149.48386	0.3
149.52554	0.2
276.06509	0.5
290.08072	8.3
302.08099	2.7
304.06033	6.8
318.07611	10.2
319.08395	48.6
334.10733	100.0
344.09329	0.4
360.12320	0.5
461.52426	0.2
528.60834	0.3
578.16559	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84943	0.5
73.34627	0.6
74.46539	0.6
82.55003	0.7
92.80970	0.6
97.48328	0.6
105.72811	0.6
123.29474	0.6
138.46631	0.7
139.51361	0.7
142.63768	0.7
199.21924	0.7
253.63318	0.8
269.71805	0.8
290.08112	9.3
302.08051	2.5
304.05963	8.0
318.07617	10.4
319.04614	1.2
319.08392	49.0
334.10718	100.0
379.68503	0.9
379.73053	0.8
578.16486	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98578	1.6
59.98875	1.5
70.03320	1.5
83.41541	1.3
91.05481	2.1
95.11057	1.7
100.03611	1.5
102.04641	1.4
103.05448	7.3
118.04135	2.6
128.01985	1.4
131.04921	17.9
132.57913	1.4
138.94664	1.4
143.82471	1.4
148.05183	2.7
148.76883	1.6
149.05896	1.7
160.64406	1.4
165.05437	3.2
173.06004	2.1
176.04666	9.5
177.05446	3.2
189.05411	3.5
191.07028	33.0
191.30382	1.7
192.07829	7.0
231.45691	1.7
278.08081	3.0
279.08987	2.4
280.06033	1.6
292.06113	1.8
292.09613	2.3
294.07578	2.3
306.07617	8.2
307.08414	18.1
308.05655	2.6
308.09116	6.0
318.07532	6.5
319.08368	2.9
320.09210	35.1
321.09702	20.9
322.07312	4.5
322.10690	94.0
323.07993	2.1
334.07074	3.1
334.10605	5.9
335.07834	3.7
336.12216	26.0
337.05777	2.7
337.12778	1.8
350.06506	2.1
351.07370	3.8
352.08145	63.2
369.13123	1.6
530.14667	2.4
542.14557	11.5
560.15594	15.2
578.16364	100.0
578.23816	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2385
Annotation	(1S,3aS)-1-[(2S)-butan-2-yl]-7-hydroxy-1,3a,5-trimethyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside
Peak:m/z	Relative Intensity
74.03724	1.7
93.06199	1.7
94.02784	1.9
125.12309	1.9
192.06889	1.7
358.10703	2.0
359.11755	3.1
360.12607	2.2
369.70148	2.1
374.10159	24.5
374.14075	2.7
375.10916	10.1
376.11792	2.4
388.11685	21.9
389.12595	12.6
390.13245	2.0
391.85361	1.8
440.17862	1.8
458.23257	9.1
468.21542	2.5
470.23462	2.6
471.20233	2.5
486.22809	59.0
499.19794	3.0
514.14905	2.9
514.22253	71.8
517.19800	2.1
532.23334	100.0
550.24664	6.9
560.22906	37.8
578.24341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85555	0.3
59.85168	0.2
68.25989	0.3
69.38867	0.2
71.70284	0.2
71.82261	0.2
77.27920	0.3
84.36198	0.3
90.02082	0.2
98.96699	0.2
153.58989	0.3
173.88414	0.3
176.98819	0.3
195.53627	0.3
238.57584	0.3
290.08200	0.5
292.09598	2.9
318.08051	0.4
319.08401	1.1
320.09171	100.0
321.09583	0.6
322.10715	1.3
323.11322	0.3
334.10770	2.9
336.12210	4.9
337.12964	0.7
338.13486	0.3
352.15509	1.1
380.41412	0.4
405.99661	0.3
415.18225	0.4
538.82196	0.3
578.23755	39.9
605.94324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27844	0.6
81.07060	0.8
176.07098	1.5
189.07840	9.2
190.08691	1.5
202.09830	0.6
226.13455	0.7
229.08580	7.7
231.10271	1.1
241.24084	0.6
257.08142	2.8
278.08444	0.7
281.15457	4.0
292.09653	4.7
296.05737	0.8
299.16321	0.8
306.07776	3.3
307.08603	0.8
308.09476	1.1
309.14865	1.4
312.13535	0.7
319.08456	3.2
320.09177	15.4
321.09885	17.3
322.10715	4.6
334.10843	6.9
335.11230	1.3
336.12296	69.5
337.12930	1.2
350.10458	1.1
368.09766	1.0
390.13449	1.3
407.13739	0.8
430.82721	0.7
545.14404	0.7
578.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27844	0.6
81.07060	0.8
176.07098	1.5
189.07840	9.2
190.08691	1.5
202.09830	0.6
226.13455	0.7
229.08580	7.7
231.10271	1.1
241.24084	0.6
257.08142	2.8
278.08444	0.7
281.15457	4.0
292.09653	4.7
296.05737	0.8
299.16321	0.8
306.07776	3.3
307.08603	0.8
308.09476	1.1
309.14865	1.4
312.13535	0.7
319.08456	3.2
320.09177	15.4
321.09885	17.3
322.10715	4.6
334.10843	6.9
335.11230	1.3
336.12296	69.5
337.12930	1.2
350.10458	1.1
368.09766	1.0
390.13449	1.3
407.13739	0.8
430.82721	0.7
545.14404	0.7
578.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27844	0.6
81.07060	0.8
176.07098	1.5
189.07840	9.2
190.08691	1.5
202.09830	0.6
226.13455	0.7
229.08580	7.7
231.10271	1.1
241.24084	0.6
257.08142	2.8
278.08444	0.7
281.15457	4.0
292.09653	4.7
296.05737	0.8
299.16321	0.8
306.07776	3.3
307.08603	0.8
308.09476	1.1
309.14865	1.4
312.13535	0.7
319.08456	3.2
320.09177	15.4
321.09885	17.3
322.10715	4.6
334.10843	6.9
335.11230	1.3
336.12296	69.5
337.12930	1.2
350.10458	1.1
368.09766	1.0
390.13449	1.3
407.13739	0.8
430.82721	0.7
545.14404	0.7
578.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26691	0.2
54.31994	0.2
57.44078	0.2
59.95598	0.2
88.44842	0.2
91.05482	1.5
93.07031	2.2
95.04974	0.4
99.04444	0.5
103.05468	1.2
106.94948	0.3
121.06503	100.0
134.38524	0.2
134.87137	0.2
138.09138	27.9
142.89365	0.2
216.56490	0.2
259.99002	0.3
282.13315	0.5
284.56744	0.3
300.14343	0.3
359.41367	0.2
448.15146	0.3
578.24286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2748
Annotation	CJ 15208
Peak:m/z	Relative Intensity
92.21019	0.9
93.07064	0.9
105.20448	0.8
105.21240	0.7
145.06569	0.9
154.19887	0.9
175.07602	1.2
181.08670	3.6
187.07701	1.0
187.97357	0.8
193.08571	0.8
269.69861	0.9
292.09653	1.0
308.12741	11.5
319.08554	3.2
320.09311	14.6
320.12994	3.2
321.10071	3.5
321.88480	0.8
322.10873	5.4
334.10678	6.9
335.11371	1.7
336.12234	32.1
337.13068	38.1
352.15433	100.0
440.37289	0.8
451.98102	0.8
560.23315	1.0
578.27728	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21019	0.9
93.07064	0.9
105.20448	0.8
105.21240	0.7
145.06569	0.9
154.19887	0.9
175.07602	1.2
181.08670	3.6
187.07701	1.0
187.97357	0.8
193.08571	0.8
269.69861	0.9
292.09653	1.0
308.12741	11.5
319.08554	3.2
320.09311	14.6
320.12994	3.2
321.10071	3.5
321.88480	0.8
322.10873	5.4
334.10678	6.9
335.11371	1.7
336.12234	32.1
337.13068	38.1
352.15433	100.0
440.37289	0.8
451.98102	0.8
560.23315	1.0
578.27728	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2748
Annotation	CJ 15208
Peak:m/z	Relative Intensity
51.98035	0.4
59.74815	0.4
65.73775	0.4
113.42136	0.4
114.36063	0.4
127.11382	0.4
145.54732	0.5
150.25343	0.4
167.19928	0.5
203.59990	0.4
206.18146	0.4
282.72287	0.5
306.07996	0.5
318.07523	5.6
320.09253	2.1
321.09915	0.8
323.11557	0.5
332.09283	2.6
333.09995	7.1
334.10730	0.5
336.12354	3.5
504.23785	8.6
578.27502	100.0
578.96545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90890	0.7
62.63626	0.7
67.39240	0.8
72.04525	48.9
79.05498	1.1
83.08643	1.8
90.05560	1.6
101.46542	0.9
104.10747	0.9
107.04943	2.1
107.07363	1.9
135.08060	44.2
135.09177	24.1
135.36424	0.9
145.06561	1.3
146.08116	11.5
147.08032	1.0
161.07106	3.7
161.09575	1.7
161.10754	9.1
172.94435	0.9
173.09637	22.1
187.08656	2.0
191.10762	4.5
209.11711	13.3
213.11243	1.1
305.12131	0.9
319.08505	1.6
320.09149	4.9
334.10794	4.8
336.12427	3.9
339.17065	16.5
365.14993	4.4
370.17441	1.7
410.20740	100.0
445.24026	1.0
471.22360	1.3
546.12683	2.2
560.27490	7.7
578.20825	1.1
578.28723	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01881	15.2
62.51436	1.2
69.03426	7.9
71.04989	2.1
72.87819	1.6
73.02920	9.5
77.16361	1.3
79.05486	2.7
81.03422	9.6
81.07072	3.5
85.02892	14.9
85.06545	6.5
86.12109	1.3
91.05491	5.7
91.85676	1.4
93.07041	11.9
95.08601	7.3
97.02891	2.6
99.04477	9.8
102.01899	2.7
105.07037	10.0
107.08591	9.8
109.02882	14.0
109.10125	3.0
115.03910	11.1
115.20415	1.3
117.07026	3.1
119.08603	7.6
120.02940	2.0
121.10162	5.8
122.18174	1.2
127.03933	17.6
131.08588	3.3
133.10155	7.9
135.11665	3.1
143.08525	3.4
145.04999	2.2
145.10124	20.4
147.11700	9.1
157.10143	9.2
159.11632	11.9
171.11728	7.2
173.13286	5.8
176.07127	2.4
183.11763	5.8
185.05215	1.4
185.13307	2.7
191.14352	1.5
195.11786	1.7
197.13272	6.1
199.06001	3.3
199.14799	1.9
203.14290	2.3
209.13376	2.7
213.16490	5.7
217.15866	2.3
223.14905	2.8
227.18051	2.2
239.17960	3.2
246.06262	2.0
251.17921	1.5
253.19594	5.4
255.17416	2.7
279.21057	12.6
286.58472	1.6
292.09576	3.0
297.22131	100.0
299.23770	8.4
308.12857	9.7
315.23257	9.2
320.09357	2.6
321.10046	14.1
322.10757	7.7
336.12292	63.7
337.13046	30.2
338.13312	2.1
352.15421	84.5
542.27875	2.0
578.27600	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69275	4.4
69.03410	8.7
69.07064	9.7
73.02919	11.3
81.03417	22.2
81.07040	10.7
83.34972	4.5
84.12448	4.7
84.35453	4.8
93.07051	9.1
95.08622	7.0
97.02852	5.5
97.06519	10.2
99.04456	100.0
107.08575	12.8
109.02885	28.0
109.10191	6.3
121.10133	5.2
127.03934	39.2
134.93909	5.6
135.11714	67.9
153.12744	45.3
155.01091	5.7
163.11115	6.7
184.07364	6.3
199.13232	7.3
217.14386	73.1
243.08575	21.9
266.42166	5.2
279.44400	5.2
297.25888	5.2
307.15237	5.8
319.08517	10.2
320.09235	7.6
321.10098	6.0
323.12061	5.1
334.10657	28.3
335.03030	4.9
336.12738	10.4
337.38156	5.6
423.20102	64.9
441.21365	30.2
578.27429	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.4
58.50854	0.9
60.91080	0.8
66.71190	0.9
71.08636	1.6
74.26618	0.9
85.75913	0.9
117.75072	1.0
186.05464	10.4
187.06273	1.9
290.08139	4.2
307.08148	8.0
308.09082	10.3
310.07080	2.3
322.10901	1.1
325.09427	20.2
333.66165	0.9
337.77396	1.1
340.11786	100.0
578.34723	66.6
578.49146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07095	1.5
58.78680	1.1
61.36037	1.0
77.05939	1.4
95.08579	1.3
105.11310	1.2
122.18314	1.1
186.05554	11.5
290.08112	2.4
295.15140	1.5
307.08447	8.1
308.09048	7.6
310.07022	1.9
325.09402	16.4
338.13547	1.5
340.11795	100.0
578.34753	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	19.3
55.62444	7.7
67.05513	97.7
69.03416	19.4
69.07079	18.5
71.04993	11.8
79.05495	49.1
81.03427	41.6
81.07054	100.0
85.02933	21.2
91.05492	44.5
93.07035	97.1
95.04984	14.6
95.08622	95.8
97.02892	15.1
99.04443	14.9
100.40942	8.3
104.04391	8.7
105.07028	44.8
107.08600	56.2
109.02891	16.0
109.06528	10.0
109.10155	37.7
110.75008	8.2
117.06998	14.5
119.08578	62.1
121.06496	66.2
121.10135	39.0
123.11729	10.3
131.08572	42.8
133.10132	52.0
135.11682	46.0
143.08566	13.3
145.10123	47.2
147.11729	19.1
149.13197	17.9
157.10156	11.5
159.11682	20.8
161.13281	17.6
171.11713	13.1
268.64670	9.8
282.02679	8.5
369.24362	14.2
387.25177	38.9
405.26328	47.2
423.27405	22.2
461.82404	10.7
549.36060	10.4
578.37701	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06765	0.4
56.02870	0.4
61.02928	0.5
69.03443	0.9
73.95528	0.4
85.02912	4.8
90.55461	0.5
91.05464	2.5
93.07040	6.1
95.04969	1.2
97.02901	0.8
103.05471	3.1
105.04514	0.7
121.06499	100.0
145.29660	0.5
168.61433	3.6
177.61917	0.9
180.52437	0.5
236.55174	0.5
283.81332	0.5
399.28955	3.0
438.86707	0.6
464.92844	0.5
578.37628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49154	1.6
56.05043	3.7
61.16536	1.7
67.05503	3.9
69.07081	2.8
69.26924	1.6
81.07063	3.0
82.93732	1.9
92.66660	1.9
95.08601	4.4
107.08595	2.7
109.10155	10.3
119.08598	2.4
121.10143	2.3
136.11272	2.3
138.68948	1.9
149.13258	3.2
153.13914	3.1
154.12260	100.0
161.13251	2.3
171.14853	4.3
195.18584	4.3
196.16963	69.5
210.18521	12.5
212.16545	2.2
213.19595	11.2
224.02348	1.9
314.24908	3.4
320.09235	3.2
322.10788	2.5
331.27322	23.4
332.25745	9.6
334.10629	2.3
348.25522	3.9
348.29837	3.5
349.28488	83.1
363.30042	12.0
366.26382	3.4
366.30612	5.2
369.27408	2.4
383.29034	4.4
391.25165	2.4
419.29138	2.7
457.73663	2.0
560.43732	7.3
578.45453	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66499	8.7
52.00781	7.5
52.59170	7.4
59.01012	7.2
60.04527	55.8
67.05513	21.2
69.07094	10.5
74.58211	9.9
81.07052	16.3
88.82267	8.1
95.08610	20.9
100.23956	8.7
109.10230	10.7
121.10155	12.9
143.65025	9.3
171.56024	12.4
256.92334	9.9
262.25238	16.3
321.26086	9.9
340.11899	20.9
560.50751	100.0
578.34808	32.2
578.51282	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
51.00592	0.2
57.03423	0.4
61.62749	0.2
71.05002	3.2
71.52180	0.2
78.64761	0.2
81.03414	0.2
85.02908	3.7
99.96027	0.2
107.17714	0.3
114.50892	0.3
129.05472	0.3
162.72774	0.2
199.62814	0.2
271.06000	100.0
340.03510	0.3
433.11267	24.1
438.78238	0.2
552.63641	0.3
573.00739	0.3
579.16864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
60.10242	0.3
73.02904	1.6
89.62598	0.3
158.65404	0.3
164.00537	0.4
191.20573	0.3
247.59299	0.4
270.05151	0.4
271.05869	0.8
285.07559	100.0
447.12851	23.7
579.16949	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29426	0.2
51.82130	0.2
55.20729	0.2
66.47529	0.2
81.07045	0.3
91.05471	0.3
121.06504	0.4
130.79140	0.3
194.85771	0.3
203.85905	0.3
292.09656	10.4
292.12909	0.4
304.09753	1.7
306.07715	2.6
320.09125	11.9
321.09937	30.3
336.12280	100.0
337.12689	1.3
356.40814	0.3
579.20844	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08094	0.6
61.50199	0.7
89.81327	0.8
90.04523	0.7
106.75394	0.8
118.06552	3.4
128.91702	0.9
131.45561	0.7
132.08076	1.3
138.86095	1.0
144.08107	7.4
146.06021	35.4
146.07172	1.4
159.09178	5.0
170.06082	1.1
188.07069	100.0
205.07741	1.2
205.09712	37.7
213.07617	1.4
221.46315	0.9
328.97327	1.0
437.75229	1.0
473.55804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08094	0.6
61.50199	0.7
89.81327	0.8
90.04523	0.7
106.75394	0.8
118.06552	3.4
128.91702	0.9
131.45561	0.7
132.08076	1.3
138.86095	1.0
144.08107	7.4
146.06021	35.4
146.07172	1.4
159.09178	5.0
170.06082	1.1
188.07069	100.0
205.07741	1.2
205.09712	37.7
213.07617	1.4
221.46315	0.9
328.97327	1.0
437.75229	1.0
473.55804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2237
Annotation	ES-242-4
Peak:m/z	Relative Intensity
51.03613	1.1
51.73250	1.3
55.05528	1.3
60.44146	1.0
67.05508	3.1
68.27790	1.1
70.33212	1.2
74.38525	1.2
81.07076	3.0
89.74058	1.3
95.08640	2.2
107.08602	1.9
126.35598	1.3
145.10207	1.4
154.03601	1.6
215.30971	1.3
268.70575	1.3
360.91089	1.2
391.19180	1.8
434.20972	6.4
463.25333	3.0
466.19952	2.4
473.20187	3.1
474.20419	2.7
479.24426	1.9
489.23035	10.3
502.20239	2.9
507.24078	3.0
517.22400	44.9
533.22382	1.6
535.22778	9.7
543.42377	1.7
551.23175	1.3
579.22266	100.0
579.36578	4.1
579.43890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
66.86464	0.8
67.05524	1.1
69.03430	5.9
71.05019	1.5
73.02930	11.4
79.05481	1.3
81.03440	13.5
81.07059	4.2
82.06590	1.0
85.02892	4.0
96.02092	1.6
97.02889	6.0
99.04461	100.0
109.02887	8.5
109.10204	1.0
110.06045	5.2
117.05503	5.1
124.05167	1.0
125.05978	5.0
127.03922	13.3
141.05528	2.3
142.02603	6.3
145.05002	2.1
153.05498	5.3
170.05714	8.2
171.06538	1.7
182.04533	15.0
200.05542	6.6
202.04761	2.4
218.06641	3.9
225.07646	3.6
243.08594	15.4
244.24998	1.0
255.21039	4.6
261.09738	1.7
273.22131	1.8
294.43695	1.1
301.21646	1.6
316.10254	1.6
318.07736	1.4
319.08392	5.3
319.22586	1.6
320.09088	8.2
334.10757	10.0
335.11212	1.8
336.12210	1.4
388.12378	1.4
395.16171	1.2
424.12451	1.3
442.13565	14.4
460.14508	4.8
579.20630	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98999	0.6
55.59600	0.5
70.06604	1.1
70.48576	0.5
71.70517	0.6
74.02435	0.7
76.40546	0.6
84.08120	0.6
99.04454	6.2
132.08084	1.1
144.08086	100.0
171.09174	1.5
173.10724	1.4
198.05457	0.7
201.10213	8.6
216.06662	1.2
217.09720	42.3
234.99002	1.0
271.14523	1.1
299.98923	0.7
579.26044	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63605	1.6
67.59930	1.6
71.05009	2.2
81.03400	2.4
81.07065	3.0
91.05490	2.6
95.08595	2.2
119.04974	20.1
119.08595	2.2
131.04941	2.0
133.10126	9.5
147.04424	21.0
167.07011	7.8
175.03908	71.1
175.14801	4.0
207.06520	100.0
207.08456	4.1
271.05890	2.9
320.09134	2.4
334.10596	2.4
335.07025	1.9
336.12177	7.5
369.11942	14.1
499.54062	2.4
579.22186	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10168	1.7
60.02601	1.8
76.46576	2.1
81.07095	2.7
84.94186	2.1
85.44363	1.8
93.07053	2.8
95.08626	2.4
104.45924	2.0
119.71658	2.1
121.10139	2.3
166.75246	2.1
181.98503	2.1
249.00407	3.9
336.12506	2.4
353.22235	3.3
353.26581	94.9
561.26733	2.8
579.28015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78339	4.4
53.76451	3.7
57.07088	5.0
67.05505	47.4
67.15410	4.1
68.70033	4.1
69.07058	6.5
70.60216	4.5
74.06091	3.9
77.32106	5.0
79.05499	9.7
81.07064	59.4
83.08594	5.9
91.05482	9.4
93.07040	34.3
95.08595	59.6
98.98452	7.0
101.62534	3.9
105.07062	8.8
107.08599	42.2
109.02884	19.3
109.10159	23.8
111.04471	6.9
119.08617	9.5
121.10159	28.1
123.11724	18.3
131.08572	24.4
133.10152	21.5
135.11684	37.0
137.13301	8.2
140.92955	4.6
145.10118	10.9
147.11655	11.2
149.13263	27.1
152.67555	4.9
159.11690	18.6
161.13284	6.1
163.14830	16.6
164.97440	5.0
173.13293	10.8
187.14792	6.8
242.24748	6.0
243.21033	34.0
261.22067	94.2
290.27057	36.7
290.29816	4.9
335.25983	7.2
353.26898	100.0
356.40808	5.4
561.27161	24.5
579.28845	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78339	4.4
53.76451	3.7
57.07088	5.0
67.05505	47.4
67.15410	4.1
68.70033	4.1
69.07058	6.5
70.60216	4.5
74.06091	3.9
77.32106	5.0
79.05499	9.7
81.07064	59.4
83.08594	5.9
91.05482	9.4
93.07040	34.3
95.08595	59.6
98.98452	7.0
101.62534	3.9
105.07062	8.8
107.08599	42.2
109.02884	19.3
109.10159	23.8
111.04471	6.9
119.08617	9.5
121.10159	28.1
123.11724	18.3
131.08572	24.4
133.10152	21.5
135.11684	37.0
137.13301	8.2
140.92955	4.6
145.10118	10.9
147.11655	11.2
149.13263	27.1
152.67555	4.9
159.11690	18.6
161.13284	6.1
163.14830	16.6
164.97440	5.0
173.13293	10.8
187.14792	6.8
242.24748	6.0
243.21033	34.0
261.22067	94.2
290.27057	36.7
290.29816	4.9
335.25983	7.2
353.26898	100.0
356.40808	5.4
561.27161	24.5
579.28845	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96835	1.0
53.03944	1.1
55.05517	9.1
57.03437	5.3
57.07083	1.8
67.05509	38.8
68.69109	1.1
69.07076	15.3
71.05605	1.4
71.08628	1.9
79.05503	10.3
81.03432	10.2
81.06609	2.6
81.07061	46.9
83.08618	11.4
85.02908	1.6
91.05474	7.5
93.07035	15.8
94.04187	1.4
95.08611	45.8
97.06525	2.6
97.10181	7.8
98.98471	81.7
99.08075	1.6
105.07049	5.8
107.08589	10.8
109.02885	2.7
109.10160	23.3
111.08099	1.8
119.08595	5.1
121.10132	11.2
123.11703	8.3
133.10152	8.8
135.11725	6.0
137.13222	2.2
147.11734	2.7
155.01045	100.0
161.13214	1.9
163.14801	2.0
175.14577	1.3
245.22690	7.9
261.45761	1.2
263.23694	21.1
299.05350	1.7
317.06381	15.6
337.27371	78.5
425.28723	2.2
479.70325	1.4
485.82877	1.4
561.28162	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
55.74532	1.5
57.03437	4.1
57.07080	3.6
62.46945	1.9
64.53992	1.7
67.05511	50.0
69.07058	11.2
72.59560	1.8
79.05491	12.9
81.03407	10.6
81.07063	57.7
83.08627	10.3
87.63834	2.1
91.05485	11.1
93.07043	17.8
95.04963	2.0
95.08607	47.0
97.06522	3.1
97.10175	3.9
98.98467	92.0
100.84277	1.8
105.07030	8.9
107.08614	12.3
109.02878	4.5
109.10144	22.1
111.08012	2.1
119.08579	10.5
121.06531	9.2
121.10126	11.7
122.06831	2.6
123.11686	11.6
127.11102	2.6
133.10129	9.0
135.11673	7.2
137.13266	4.1
147.11729	9.3
149.13260	3.8
150.28654	1.8
155.01038	100.0
161.13264	9.0
163.14899	2.7
165.36467	2.0
175.14821	3.0
245.22589	11.6
263.23648	23.0
317.06219	17.1
336.12411	2.9
337.27344	76.2
425.28821	3.2
456.64627	2.3
543.35284	2.2
561.28229	9.8
561.35986	3.6
579.29401	11.5
579.37732	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58607	1.1
53.03962	1.2
55.05512	8.2
57.03438	7.8
57.07071	2.8
66.90430	1.3
67.05510	37.5
69.07071	13.1
71.04987	1.6
71.08627	2.1
79.05495	9.4
81.03407	10.8
81.06616	2.7
81.07062	48.0
83.08632	11.5
89.97052	1.5
91.05474	9.1
92.20991	2.1
92.21489	2.4
93.07042	16.1
95.08604	50.8
97.06525	2.7
97.10136	5.0
98.98466	78.8
99.04414	2.5
103.45461	1.4
105.07058	5.7
107.08575	9.2
109.02881	3.6
109.10146	25.1
111.08091	2.3
117.91496	1.4
119.08569	7.1
121.06498	6.6
121.10162	10.1
123.11697	7.0
133.10147	11.4
135.11659	2.8
137.13243	2.2
147.11693	7.4
151.14870	1.9
155.01038	100.0
161.13231	3.1
163.14771	1.8
165.27586	1.4
175.14758	1.4
194.84984	1.5
214.80493	1.6
245.22621	7.5
263.23642	21.9
317.06415	12.9
321.09927	7.3
336.12231	23.4
337.12823	1.6
337.27325	68.6
425.28973	5.4
465.13162	1.6
517.21960	7.2
561.28381	12.1
579.21765	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29663	1.4
55.05522	8.8
57.03429	7.3
63.17851	1.5
67.05516	33.8
69.07075	10.7
79.05505	8.3
81.03434	7.3
81.07063	36.3
83.08617	9.9
91.05486	9.6
93.07042	15.0
95.08607	39.0
97.06514	3.9
97.69643	1.7
98.98471	72.1
105.07030	2.5
107.08581	3.1
109.02885	2.3
109.10156	22.3
111.08109	1.8
119.08565	7.7
121.10146	10.8
123.11716	4.5
123.12612	1.9
133.10146	12.8
135.11644	2.8
147.11697	4.2
149.13234	2.7
155.01039	100.0
161.13252	2.9
163.14825	1.9
212.90288	1.8
245.22627	4.2
263.23688	20.3
290.10995	2.4
296.40146	2.0
317.06287	18.3
320.09015	4.0
321.09680	8.5
322.10477	2.8
335.07288	2.6
336.12308	10.4
337.12595	12.9
337.27383	60.5
360.12277	2.5
375.18591	7.5
393.19739	3.9
425.28824	2.5
462.66446	2.1
505.24265	2.5
561.28522	16.0
579.17529	3.0
579.28058	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10323	0.6
52.51531	0.6
53.03957	6.0
53.04163	0.6
69.03429	3.1
71.04990	1.1
73.02916	3.1
81.03417	10.5
81.07065	1.1
85.02911	7.7
93.44704	0.7
97.02891	3.8
98.07105	0.6
99.04456	100.0
109.02885	1.7
117.05502	11.7
119.08617	0.9
127.03936	4.8
145.05003	1.0
153.05478	0.9
173.13234	1.0
182.04498	1.4
197.51801	0.7
199.14757	1.5
243.08601	4.1
255.21008	7.6
261.09671	5.7
273.19528	1.1
273.22061	8.3
285.88876	0.8
290.08203	1.1
301.21490	4.8
304.06219	1.3
319.08334	5.1
319.22736	8.6
320.09070	8.6
321.09555	5.4
322.10440	1.3
334.10730	9.3
335.10861	1.0
336.12283	5.2
337.12656	4.9
442.13318	1.4
539.46808	0.7
549.57727	0.7
554.12396	0.8
561.30652	1.2
579.22778	3.5
579.31909	0.8
601.39301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50945	0.9
66.29432	1.1
67.05505	1.3
79.04314	1.0
84.70766	1.0
95.68309	0.9
215.73674	1.3
237.09761	1.1
254.44160	1.1
266.26974	1.1
267.12045	2.0
276.34195	1.2
363.76340	1.1
366.54892	1.2
404.68069	1.1
502.02493	1.2
554.25012	1.5
579.38672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3891
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
57.07068	0.8
59.43462	0.6
67.05507	1.0
69.35115	0.7
74.14259	0.7
89.03912	0.8
107.52462	0.7
117.03390	7.5
145.02853	56.7
149.06027	3.2
169.95898	0.7
177.05469	100.0
186.05554	1.0
195.40910	0.8
225.95934	0.7
561.37811	10.5
579.38904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98088	0.9
53.70285	1.0
56.05044	2.6
57.07085	2.0
57.31720	0.9
58.06602	2.0
58.22317	1.1
59.56435	1.0
67.05505	2.6
74.06070	4.7
81.07063	4.7
83.01137	1.0
84.27084	0.9
88.07625	5.6
91.11036	1.1
93.07056	3.8
95.08617	5.2
102.93974	1.0
107.08600	2.1
109.10181	1.5
110.39181	1.3
118.08663	3.9
121.10170	2.0
122.08163	9.1
131.40680	1.2
135.11745	1.8
159.11778	1.4
168.28426	0.9
173.79910	1.1
195.37474	1.1
223.21382	1.2
242.24767	40.4
261.22281	4.9
272.25797	2.0
290.26904	100.0
326.29849	1.2
353.26877	6.6
410.80255	1.2
421.06488	1.2
561.26715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73412	2.1
51.79336	2.6
55.05510	12.6
55.52959	2.2
57.07074	16.4
58.14503	2.3
67.05506	36.3
69.07069	32.8
69.08404	2.9
71.08617	11.4
79.05480	14.5
81.07063	50.2
83.08632	26.6
85.06526	3.1
85.10184	4.5
86.06055	2.5
91.05504	3.1
93.07059	24.5
95.08604	49.2
97.06529	5.4
97.10165	18.5
105.07029	13.7
107.08597	18.1
109.10175	38.0
111.08076	5.1
111.11754	4.1
114.09178	3.6
119.08573	12.9
121.10145	27.4
123.08028	3.5
123.11680	10.7
125.09644	2.8
131.08540	3.8
133.10095	17.0
135.11673	19.3
137.13261	5.1
140.10657	2.5
142.12186	3.9
145.10103	4.7
147.11658	11.6
149.13272	5.9
154.12352	3.9
161.13301	6.3
163.14807	5.2
173.11732	3.4
175.14830	3.3
177.16393	4.5
198.65308	2.9
213.16489	2.8
213.74805	3.5
263.23575	3.1
280.26315	17.5
282.27948	4.1
297.28973	3.6
509.46771	4.0
526.49634	10.5
544.50922	37.1
561.53522	100.0
579.55402	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06155	0.5
61.15965	0.6
63.79448	0.5
69.03423	1.1
79.05517	0.7
85.02914	2.4
95.86432	0.6
97.02887	0.9
106.45245	0.6
135.04471	0.7
167.06938	0.7
190.04996	6.8
197.04532	0.6
198.45148	0.6
308.09418	1.1
319.08417	1.2
320.09174	3.7
321.09796	2.2
334.10999	3.1
336.12357	5.4
337.12830	1.4
342.07526	3.7
357.10080	3.9
358.07098	8.4
360.08643	27.4
360.13110	1.2
367.39877	0.7
369.10107	1.0
370.07184	8.6
371.07919	3.4
372.08746	7.7
374.10242	5.9
384.08789	3.0
385.09390	3.8
386.10217	10.5
387.84467	0.7
388.08252	2.5
400.11771	11.8
402.09543	0.8
403.10574	2.5
418.12823	100.0
580.18079	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40569	0.2
57.16978	0.2
58.89178	0.2
69.76626	0.2
74.46621	0.3
75.98348	0.2
77.82067	0.2
86.64546	0.2
87.79571	0.2
129.38358	0.2
234.43550	0.3
292.09625	2.3
304.06238	0.4
308.12860	1.3
319.08316	0.4
320.09192	7.4
321.09937	5.9
334.07309	0.2
334.10818	1.4
336.12286	100.0
363.06961	0.3
398.46204	0.2
406.12866	0.2
424.51755	0.3
489.91727	0.2
580.18384	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58313	0.1
60.41088	0.1
61.54457	0.1
63.83773	0.2
71.43919	0.1
87.83144	0.2
140.96602	0.2
203.07301	0.2
278.07953	0.2
292.09668	8.7
304.09665	1.2
305.10443	0.2
306.07617	3.3
319.08563	0.2
320.09183	9.6
321.09958	25.5
334.10672	0.4
336.12296	100.0
580.18207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41889	0.8
56.30354	0.7
61.10508	0.7
75.49138	0.9
80.60676	0.8
81.20054	0.8
91.05486	39.0
92.32844	1.0
175.50934	1.0
187.03915	1.1
199.03845	0.8
215.03404	5.8
263.07028	29.1
263.98181	0.9
274.06281	1.3
291.06512	100.0
300.18317	1.0
301.42999	0.9
309.07568	66.3
310.04010	0.9
336.12238	1.3
566.36206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37922	0.3
55.64862	0.3
56.77861	0.3
57.78955	0.3
63.49869	0.4
63.51371	0.3
69.90168	0.4
71.59820	0.3
83.72342	0.3
84.40021	0.3
85.83706	0.4
173.52251	0.4
204.85599	0.5
210.88795	0.4
213.99673	0.4
251.46828	0.4
290.08060	7.6
302.08200	2.4
304.06082	6.9
304.09259	0.7
318.07523	7.8
319.08392	34.3
320.09116	5.0
321.09613	0.8
323.87650	0.4
334.10721	100.0
335.11108	1.6
336.12265	8.7
337.12976	1.0
338.13605	0.5
400.11871	1.0
418.12735	6.5
580.19000	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40313	0.3
53.85027	0.4
53.86030	0.3
54.17203	0.3
58.06224	0.3
60.22492	0.3
61.97548	0.3
64.73790	0.3
80.36346	0.4
97.15106	0.4
133.46806	0.4
134.71353	0.4
181.51714	0.4
188.35670	0.4
276.06674	0.4
290.08063	8.4
292.10004	0.6
302.08115	2.3
304.06018	6.7
318.07611	8.0
319.08386	42.1
320.09155	5.0
321.09695	0.8
334.10721	100.0
335.11362	2.1
336.12228	3.6
338.13806	0.7
345.12180	0.4
517.17810	0.5
534.19971	0.7
580.20593	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62436	1.0
81.07060	2.9
81.16892	1.3
95.08620	1.7
102.90333	1.5
105.07005	1.5
211.87328	1.4
232.55502	1.8
320.09274	7.0
334.10712	1.6
336.12170	2.2
358.10461	1.9
374.09998	5.0
388.11697	7.5
389.12314	3.2
390.09515	2.4
390.14020	1.9
391.10458	15.3
402.13409	5.9
404.11182	3.1
406.13141	13.1
419.13815	3.0
434.12357	59.5
442.20111	2.5
456.17731	2.3
458.19559	6.4
474.19128	6.1
484.17532	19.4
486.19205	12.6
502.18707	15.3
504.19876	3.1
520.19562	43.7
548.19147	100.0
549.19995	11.8
580.21619	29.0
580.29932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02988	1.0
78.28192	1.0
83.05882	1.0
199.07825	1.3
285.07523	1.6
304.09641	1.8
308.09015	1.5
317.10739	1.4
320.09131	14.3
321.09760	5.6
330.11319	7.0
332.09143	1.7
334.10815	4.6
336.09064	1.5
336.12387	18.7
338.10144	5.6
339.10999	5.9
344.09055	2.3
347.11560	4.7
348.08707	5.0
358.10834	5.2
360.12564	2.0
361.09427	1.3
374.10089	5.9
376.08124	6.1
377.09061	2.0
388.11624	7.2
389.12512	5.5
390.09714	9.6
391.10529	58.4
392.11237	9.2
404.11234	23.8
416.11145	1.4
470.19760	2.4
488.20764	21.9
502.18588	1.6
516.20148	6.4
534.21143	12.0
544.19647	4.8
562.20721	100.0
580.21637	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54766	1.3
69.03424	2.6
77.23498	1.6
81.93135	1.6
85.02909	8.1
105.07023	8.7
115.76788	1.7
119.56660	1.6
127.03941	1.9
133.06477	11.0
137.05975	50.4
161.05977	92.6
161.07301	3.4
168.28459	1.6
175.07510	1.7
180.65895	2.1
199.07516	15.9
203.08549	8.3
221.09563	1.9
231.08069	36.7
232.08838	3.3
236.08400	2.1
245.09425	2.3
248.08357	7.1
255.07768	1.8
259.07526	31.3
260.08331	22.7
263.10657	27.2
265.08585	6.7
276.07758	14.7
277.08542	2.4
279.10153	1.9
281.11734	2.6
291.10150	100.0
292.10831	3.3
295.12958	2.4
308.10492	3.2
309.11249	61.6
311.12894	2.6
317.24146	1.7
323.12756	87.8
334.10638	6.4
341.13818	76.4
341.17807	3.7
375.20526	1.7
383.14935	3.7
392.85568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28655	2.7
53.03949	5.1
55.46576	2.7
68.10702	2.7
68.99774	3.0
70.01786	2.8
79.98210	3.0
81.03416	14.6
88.62290	3.3
91.05493	3.8
99.04458	100.0
117.03337	4.7
119.04897	3.1
121.06480	3.0
140.04643	26.4
145.02779	3.1
147.04381	4.5
149.06023	12.1
155.07027	41.0
163.03899	13.0
166.06248	3.1
175.03925	18.8
177.05466	92.8
178.23862	3.3
181.08606	26.9
190.02628	3.4
191.07031	7.3
192.07790	6.6
193.08682	4.7
195.06549	7.5
196.11060	3.4
200.40919	3.3
205.04942	81.4
206.09390	6.6
207.06505	15.4
209.08122	5.3
222.02409	2.8
223.05962	48.0
223.09613	4.0
224.10403	14.3
224.19354	3.5
261.07153	3.6
290.08301	5.0
292.09622	4.7
319.08420	14.0
320.09201	24.7
321.09656	92.5
322.10651	20.8
334.10678	28.4
336.12244	45.0
397.12729	24.0
399.14197	14.2
429.15637	4.5
495.16245	4.4
513.17407	18.3
548.26111	3.6
580.15625	20.6
580.25366	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65986	0.5
52.31504	0.5
53.03952	0.5
55.05521	0.7
57.03438	3.5
69.03438	1.3
71.01377	0.7
71.01785	0.5
71.04639	1.0
71.04996	17.2
75.04478	1.1
83.05007	1.5
85.02908	28.6
87.04450	2.4
87.84715	0.6
93.93770	0.6
99.04480	0.8
106.19019	0.6
107.04953	44.2
111.04461	1.4
114.43655	0.6
121.06528	2.5
123.04410	6.7
127.03960	0.9
129.05516	2.7
137.05946	0.8
143.04967	3.9
145.06535	5.6
149.06023	1.2
161.05972	20.8
164.07079	5.3
209.09616	0.7
235.26180	0.7
237.09137	2.6
248.06613	0.6
255.10139	47.6
264.45743	0.6
269.27078	0.7
272.12787	29.5
273.00403	0.6
349.36319	0.7
434.18030	9.3
580.23938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
61.92508	0.7
66.04919	0.9
66.15231	0.6
81.03407	3.5
86.20673	0.7
91.05477	1.5
99.04454	26.6
107.04959	1.7
117.03388	1.3
119.04921	4.1
121.06487	1.5
135.04422	4.3
139.07498	1.0
145.02869	9.7
147.04448	3.5
149.06010	3.5
153.05423	0.9
163.03897	14.4
164.04718	1.4
166.06172	1.4
167.07051	4.6
175.03902	1.6
175.07576	0.9
177.05464	17.8
178.06236	8.5
179.07033	5.5
181.04849	0.9
181.08557	3.5
184.07356	1.3
191.03366	14.6
191.07010	1.8
192.07770	1.7
193.08887	0.8
194.09364	1.3
195.06482	6.5
205.04959	10.1
206.09413	1.6
207.06575	7.3
209.08096	4.3
209.43977	0.8
223.06007	100.0
319.08310	1.6
320.09106	2.8
321.09723	25.1
334.10806	6.0
336.12213	5.5
337.12964	5.7
352.15485	15.1
399.14404	9.3
411.14133	1.2
471.35220	1.0
515.18951	3.2
580.29675	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85128	0.5
68.40594	0.5
77.08461	0.5
79.38300	0.5
108.51414	0.6
119.34524	0.6
121.73753	0.7
209.40437	0.7
244.92900	0.6
292.09781	0.9
308.12817	12.3
320.09265	2.3
320.12848	1.2
321.09894	1.0
322.10660	7.1
323.07956	1.4
323.11444	0.7
334.10794	1.3
336.12280	20.8
337.13071	39.7
338.13934	1.0
352.15414	100.0
398.19815	0.7
580.29254	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
84.84970	0.5
89.85182	0.5
103.85706	0.5
113.09319	0.6
171.91788	0.5
180.49997	0.6
185.23866	0.5
213.32199	0.6
267.48471	0.5
304.06036	0.7
308.12729	10.7
319.08405	2.3
320.09186	2.4
320.12549	1.4
321.10016	1.1
322.10657	5.7
334.10788	4.2
336.12274	22.6
336.15887	1.0
337.08917	0.6
337.09573	0.5
337.13058	33.2
352.15421	100.0
457.86957	0.6
508.54514	0.7
580.29095	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85128	0.5
68.40594	0.5
77.08461	0.5
79.38300	0.5
108.51414	0.6
119.34524	0.6
121.73753	0.7
209.40437	0.7
244.92900	0.6
292.09781	0.9
308.12817	12.3
320.09265	2.3
320.12848	1.2
321.09894	1.0
322.10660	7.1
323.07956	1.4
323.11444	0.7
334.10794	1.3
336.12280	20.8
337.13071	39.7
338.13934	1.0
352.15414	100.0
398.19815	0.7
580.29254	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
84.84970	0.5
89.85182	0.5
103.85706	0.5
113.09319	0.6
171.91788	0.5
180.49997	0.6
185.23866	0.5
213.32199	0.6
267.48471	0.5
304.06036	0.7
308.12729	10.7
319.08405	2.3
320.09186	2.4
320.12549	1.4
321.10016	1.1
322.10657	5.7
334.10788	4.2
336.12274	22.6
336.15887	1.0
337.08917	0.6
337.09573	0.5
337.13058	33.2
352.15421	100.0
457.86957	0.6
508.54514	0.7
580.29095	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05045	2.2
56.31037	0.8
60.04529	63.1
67.05503	5.7
69.03435	5.7
69.07069	3.5
69.68156	1.0
72.04509	1.2
72.84731	0.8
73.02914	1.7
74.06082	1.3
76.18721	1.0
79.05492	1.8
81.03416	5.2
81.07048	9.7
85.02898	10.2
86.06084	1.2
87.00813	1.4
91.05461	1.9
93.07052	5.1
95.05019	1.0
95.08622	8.6
97.02892	4.2
98.06084	1.0
99.04469	4.4
107.08591	2.4
109.02898	4.9
109.10200	2.3
115.03953	1.1
116.07100	1.0
119.08530	1.4
121.06500	3.6
121.10205	4.4
127.03914	12.3
129.01842	1.1
133.10123	1.3
145.04956	1.4
147.11703	1.3
159.84914	1.0
197.04550	1.3
204.64819	1.0
208.09769	1.1
239.84692	1.0
278.24799	7.3
290.08008	2.3
292.09628	1.7
293.05347	1.3
293.22867	1.3
296.25986	4.7
299.54324	1.1
314.27087	4.4
318.07635	2.2
319.08365	12.2
320.09216	2.2
321.10135	2.1
322.10919	1.1
332.27820	12.8
334.10715	24.5
335.11191	1.9
336.12201	12.6
338.13803	1.7
352.15375	1.4
364.08389	1.6
536.34741	1.3
562.31653	1.4
580.15143	2.3
580.24683	5.8
580.33337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69023	0.8
83.92841	0.8
85.02890	5.0
86.72420	0.7
91.05485	1.1
93.07035	6.1
95.05006	1.0
103.05464	3.3
121.06498	100.0
130.86777	0.8
136.07646	0.8
148.75401	0.9
193.12872	0.9
202.55974	0.8
282.85828	0.8
311.72562	0.8
369.71603	0.9
401.30347	1.0
462.77811	0.8
527.64050	0.9
580.42230	3.7
583.35107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.53
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61959	19.4
59.48101	20.8
60.04525	100.0
62.31835	19.9
70.92394	25.1
75.95190	21.7
132.96527	23.0
282.27576	28.1
320.96915	29.9
381.76022	23.5
440.18127	26.3
508.61771	25.3
521.57770	30.4
559.42108	27.9
562.51813	48.2
580.52991	25.7
601.80273	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01884	0.9
57.03443	1.9
59.04999	0.2
61.02641	0.2
61.02932	3.4
68.99784	0.1
69.03433	1.9
71.01366	0.2
73.02920	3.5
79.18083	0.1
81.03423	0.1
81.84574	0.1
85.02905	4.8
87.04444	0.2
88.89598	0.1
91.02402	0.1
91.03952	2.0
97.02894	3.4
99.04472	0.1
103.03921	0.2
109.02832	0.2
115.03918	1.6
119.21018	0.1
121.02857	0.6
127.03942	1.1
133.04980	1.1
145.04918	0.8
148.91096	0.1
153.01807	0.6
163.05978	0.8
165.01840	0.2
230.25511	0.1
232.80200	0.1
258.05103	0.1
287.05487	100.0
299.05554	1.2
311.05499	0.2
323.05417	0.2
325.07083	0.5
329.06531	1.5
353.06577	0.9
365.06479	0.2
383.07465	0.2
395.07690	0.2
413.08716	0.2
431.09601	0.2
449.10724	1.9
479.10126	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1805
Annotation	Albafuran C
Peak:m/z	Relative Intensity
62.33380	0.5
91.05456	0.5
93.07065	0.5
95.08589	0.6
193.04906	0.5
217.23505	0.6
235.36307	0.5
256.26389	0.8
258.27945	3.3
268.07303	2.8
271.09610	0.9
296.06772	7.1
311.09119	100.0
311.29938	0.5
329.86734	0.6
423.82376	0.5
483.35864	0.6
581.18073	16.2
589.49634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32590	1.1
91.66118	1.1
92.21544	1.4
92.78698	1.0
99.80896	1.3
137.05901	1.4
140.23369	1.1
167.07024	5.1
181.04897	2.0
274.97052	1.1
296.44156	1.2
320.09225	12.3
321.09433	1.8
336.12161	5.8
337.12646	2.7
352.44958	1.3
360.12122	1.5
372.08649	29.4
392.82611	1.2
489.14160	1.6
506.14557	1.7
507.15457	5.4
517.13586	2.6
518.14709	2.1
520.12628	10.4
521.13354	5.6
535.14880	26.1
536.15826	10.6
550.17291	86.9
551.18054	21.0
581.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32590	1.1
91.66118	1.1
92.21544	1.4
92.78698	1.0
99.80896	1.3
137.05901	1.4
140.23369	1.1
167.07024	5.1
181.04897	2.0
274.97052	1.1
296.44156	1.2
320.09225	12.3
321.09433	1.8
336.12161	5.8
337.12646	2.7
352.44958	1.3
360.12122	1.5
372.08649	29.4
392.82611	1.2
489.14160	1.6
506.14557	1.7
507.15457	5.4
517.13586	2.6
518.14709	2.1
520.12628	10.4
521.13354	5.6
535.14880	26.1
536.15826	10.6
550.17291	86.9
551.18054	21.0
581.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00758	0.6
58.99604	0.5
70.17708	0.6
71.79501	0.6
83.41167	0.6
98.17915	0.6
104.35186	0.6
106.17239	0.6
121.06522	1.0
133.06143	0.7
143.01904	1.2
145.00735	1.1
145.01765	0.7
147.76622	0.7
155.01805	0.8
157.00732	2.4
159.04977	1.4
167.93152	0.7
169.00768	0.7
173.02930	1.5
175.01765	1.5
177.06058	2.9
183.05003	1.5
195.05000	0.9
199.04515	1.0
201.04333	2.7
201.06076	27.0
213.04254	1.0
213.06075	20.0
215.07730	1.2
219.07115	9.8
221.05093	0.8
225.05978	4.5
227.07761	0.7
231.07133	11.6
243.04991	1.1
243.07185	17.3
255.04465	0.7
255.07384	0.7
303.09238	100.0
321.10297	30.5
339.47012	0.6
401.13037	1.3
419.13968	3.8
423.13367	2.9
454.60901	0.7
461.14731	3.6
483.15918	4.9
521.17078	5.7
581.19232	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48915	1.1
71.61360	1.2
75.17277	1.2
76.11178	1.2
122.06820	1.5
133.00748	1.9
145.00719	9.7
145.01746	1.9
154.88664	1.4
155.01901	2.3
157.00783	15.0
159.02383	2.4
161.02904	1.6
163.01724	11.7
169.00775	5.4
171.02303	2.1
173.02933	2.9
175.01805	14.9
177.60474	1.5
183.02341	2.2
187.01825	9.0
195.02251	1.7
199.01877	3.3
201.03496	6.9
201.04163	2.7
201.06047	30.3
205.02866	10.7
213.03365	2.6
213.06093	21.6
219.07106	7.4
225.06152	2.6
226.90944	1.4
229.02826	3.0
231.07146	13.3
241.03064	1.8
243.05046	3.0
243.07144	15.7
247.04047	2.4
255.04453	2.0
277.05023	3.3
285.05353	2.0
285.08325	2.5
286.12943	1.6
301.08719	1.5
303.09302	100.0
313.31946	1.4
321.07162	2.6
321.10373	38.7
345.08078	1.6
363.08936	2.4
375.08615	3.5
401.12701	1.9
423.13449	6.0
461.14792	3.2
483.15106	2.8
503.95477	1.7
521.16943	6.2
581.19019	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2396
Annotation	Pterocellin F
Peak:m/z	Relative Intensity
53.81499	1.0
57.13829	1.2
66.96790	1.2
73.87520	1.3
256.26263	1.5
315.78244	1.4
361.31342	1.3
362.82513	1.4
405.21600	1.8
435.21820	3.0
436.22708	1.7
449.19739	2.2
451.21671	2.4
463.25244	10.7
464.21982	1.8
479.20517	5.1
481.26202	4.4
490.20319	6.6
494.03073	1.4
507.24072	4.9
509.26019	8.7
517.22644	1.7
525.25012	2.5
535.23505	6.8
537.24908	6.7
552.23761	5.1
553.24347	2.7
563.22992	17.7
581.23969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58468	3.0
62.62279	3.4
72.62650	3.2
75.52589	3.6
81.07053	4.9
83.10759	3.3
94.53431	3.2
98.14749	4.0
108.89205	3.8
135.85306	3.7
162.26669	3.3
170.05963	3.7
226.41756	3.7
236.40126	4.7
242.24683	5.2
290.26831	4.0
420.22937	4.6
421.23840	5.4
434.24869	4.5
452.21875	5.5
465.23608	4.6
493.26035	41.0
494.26694	5.7
521.26019	11.7
581.27570	100.0
603.55194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.06030	1.0
55.01875	1.2
57.52277	0.9
61.02920	1.1
62.94025	0.8
69.03423	6.9
69.07077	1.0
71.04995	2.1
74.92794	1.0
79.05499	1.2
81.03418	10.2
81.07053	4.5
85.02910	24.8
85.06545	4.3
87.00847	8.2
91.05498	1.7
92.41251	1.1
93.07059	7.7
95.08610	2.4
97.02897	6.5
99.04462	7.0
103.73196	1.0
105.01851	8.4
105.07020	4.9
107.08601	5.8
109.02884	12.2
109.10161	4.1
117.01826	1.1
117.07030	1.4
119.08578	2.4
121.10143	6.4
127.03907	17.2
131.08597	4.5
133.10144	7.6
135.11716	1.2
143.08583	2.1
145.04953	5.2
145.10124	16.6
147.11723	4.8
155.08548	1.4
157.10133	6.0
159.02879	6.1
159.11690	9.6
169.17122	1.1
171.11682	6.9
173.13266	6.6
183.11678	1.1
185.13255	1.8
189.12648	1.6
197.13306	4.4
199.14787	1.6
203.14331	4.2
209.13199	4.7
211.14775	1.4
213.16350	8.9
215.14241	1.7
217.15886	1.4
223.14809	5.6
227.17915	3.9
231.05008	2.1
231.24387	1.2
239.17982	4.5
249.05858	1.5
251.17859	1.3
252.83830	1.1
253.19508	6.2
254.20311	1.0
255.17450	1.8
255.21011	1.9
279.21066	11.9
297.22141	100.0
299.23505	1.8
315.23245	18.0
320.09265	1.6
336.12320	7.6
337.12762	1.6
372.08649	4.3
460.11517	1.1
534.13928	1.7
535.14868	2.3
545.26337	1.2
550.17291	11.8
563.28552	9.3
581.19104	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
55.09873	1.4
57.03437	6.8
57.07069	6.0
67.05507	20.8
67.33626	1.0
69.07065	22.0
71.08617	2.1
79.05479	6.0
81.03411	6.7
81.07056	21.3
83.08613	19.2
93.07034	10.7
95.08596	25.1
97.06509	2.1
97.10160	13.7
97.26035	1.3
98.98459	75.2
99.04448	1.5
107.08589	7.6
109.02901	4.8
109.10141	8.1
111.08073	3.2
111.11711	2.2
121.10126	16.9
123.11695	2.1
127.03846	1.5
135.11682	12.9
135.96051	1.4
139.07204	1.4
149.13258	2.3
153.12585	1.3
155.01021	100.0
163.14619	1.5
170.66232	1.5
247.24138	2.9
265.25174	13.2
299.19901	1.4
317.06332	9.6
332.99573	1.7
339.28888	70.7
419.25195	2.4
427.30344	5.1
563.29266	13.6
581.30750	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.3
57.03452	6.1
57.07079	4.4
59.89392	0.8
67.05511	15.8
69.07076	21.9
71.05000	1.2
71.08636	4.5
79.05503	7.3
81.03419	8.1
81.07063	22.6
82.77297	0.9
83.08624	21.6
92.20894	1.0
93.07044	9.3
95.08609	24.5
97.06526	2.1
97.10172	11.2
98.98469	77.2
107.08616	6.5
109.02865	3.9
109.10147	9.4
111.08067	1.7
111.11708	4.8
116.99500	1.2
121.10156	15.5
123.11744	1.4
125.09560	1.0
135.11697	10.7
149.13240	3.6
149.51239	0.9
155.01041	100.0
163.14780	1.3
182.03102	0.8
243.02736	1.4
247.24234	1.6
265.25256	15.2
317.06238	10.7
339.28946	74.6
409.29501	1.5
419.25449	5.7
427.30490	6.3
563.29980	16.7
581.30676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73125	0.8
55.05519	12.4
57.03441	5.4
57.07088	8.8
58.85414	1.1
64.34930	1.0
67.05512	15.4
69.07069	20.1
71.08631	2.2
79.05486	4.9
81.03432	8.3
81.07063	22.2
83.08622	17.7
92.21523	2.1
93.07022	10.1
95.08604	24.3
97.06524	1.7
97.10178	12.0
98.98464	72.5
99.04471	1.6
107.08582	7.9
109.02872	5.7
109.10170	8.6
111.08070	5.2
111.11707	2.3
112.19424	1.2
116.99513	1.9
121.10143	15.2
125.09660	1.0
135.11697	10.9
149.13274	5.4
153.92964	1.3
155.01036	100.0
243.02423	1.4
247.24126	4.6
265.25272	13.7
317.06195	10.0
339.28925	74.8
386.11545	1.1
419.25323	8.0
427.30469	5.9
563.29724	17.2
581.29956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85680	1.2
53.12688	1.3
54.96316	1.5
55.01873	1.5
55.05518	15.7
57.07088	23.0
67.05511	13.5
69.03423	2.2
69.07059	6.6
71.08634	19.0
73.18441	1.5
74.59900	1.5
79.05498	3.7
81.07070	17.4
83.08630	21.0
85.10194	15.4
88.07653	3.6
93.07023	2.2
95.08592	14.1
97.10170	45.3
98.98467	6.9
99.72783	1.6
102.09158	1.9
107.08611	9.4
109.10162	10.9
125.09631	42.2
135.08080	2.8
143.10553	1.7
153.09074	15.3
153.10182	1.5
155.01042	8.3
189.11224	11.0
227.12779	20.0
228.74603	1.7
245.13675	2.1
256.26376	9.1
307.09378	3.6
325.10345	2.9
326.35046	1.6
393.23965	2.4
483.36798	100.0
563.33252	5.5
581.48016	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.9
54.73542	0.7
55.05524	15.9
56.00105	0.8
57.07084	25.4
67.05517	13.2
68.55853	0.7
69.03440	1.7
69.07065	5.4
71.08636	20.8
71.80788	0.8
79.05505	5.8
81.07059	15.8
83.08624	21.0
85.10186	10.4
87.09198	1.2
88.07618	1.1
93.07057	3.4
95.08619	15.4
97.10175	45.3
97.30267	0.9
98.98448	7.2
107.08598	12.9
109.10179	11.0
111.08082	1.1
113.31509	0.8
123.11727	3.6
125.09633	41.6
125.10554	1.5
129.54208	1.1
135.08060	2.1
153.09126	12.1
155.01053	11.0
171.10150	3.5
189.11227	13.5
227.12776	20.6
236.60269	0.9
239.23630	1.3
245.13849	4.6
256.26349	1.1
285.92975	1.0
307.09430	4.2
313.27344	2.2
325.10550	1.8
393.24179	3.5
465.35806	1.4
483.36813	100.0
563.33447	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05518	16.1
57.03446	1.5
57.07084	22.1
66.31904	1.2
67.05511	12.2
68.53309	1.0
69.03429	2.4
69.07071	6.9
71.08628	19.5
79.05495	5.8
81.07058	17.9
83.05009	1.0
83.08629	19.5
85.10185	12.1
93.07040	1.9
95.08604	15.3
97.09592	1.8
97.10176	42.9
98.98465	5.7
107.08601	11.1
109.10164	8.0
123.11684	2.0
125.09631	45.3
135.08009	2.4
153.09100	18.0
155.01038	14.6
171.10159	4.1
175.25623	1.1
189.11205	12.4
227.12733	19.7
245.13647	1.5
256.26505	1.2
259.62628	1.0
307.09402	4.4
313.27335	4.6
325.10272	1.8
393.23932	5.6
483.36789	100.0
563.33337	8.7
581.49048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.1
70.06591	36.9
70.59531	1.9
72.08172	8.8
86.09707	48.5
115.08685	23.7
121.65561	1.7
128.75610	2.0
149.87314	1.9
154.09789	3.1
155.08188	12.7
169.13406	10.3
170.18985	24.8
172.10828	4.3
185.16513	2.0
204.10997	1.8
208.29054	1.9
227.21100	15.3
271.17831	2.2
283.27576	3.2
320.32733	2.0
334.25040	3.0
351.27744	6.5
352.25839	18.0
369.28928	2.8
553.44141	3.1
581.43896	100.0
588.13318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.9
71.18907	0.5
74.92878	0.6
79.05479	0.8
80.74924	0.5
87.89899	0.6
88.07619	2.5
95.08650	0.7
97.10179	1.1
125.09641	1.0
126.25828	0.7
127.44412	0.6
143.32913	0.7
242.24866	2.9
256.26413	1.3
293.20792	0.9
311.21915	12.0
329.21704	1.3
483.36652	2.6
581.43799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.9
71.18907	0.5
74.92878	0.6
79.05479	0.8
80.74924	0.5
87.89899	0.6
88.07619	2.5
95.08650	0.7
97.10179	1.1
125.09641	1.0
126.25828	0.7
127.44412	0.6
143.32913	0.7
242.24866	2.9
256.26413	1.3
293.20792	0.9
311.21915	12.0
329.21704	1.3
483.36652	2.6
581.43799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.5
57.07065	1.6
61.93930	1.0
62.39879	1.3
67.05511	32.8
69.03441	1.4
69.07066	18.5
71.05000	1.4
72.86496	1.4
77.02527	1.2
79.05505	21.6
81.06609	2.4
81.07058	38.6
81.07502	2.4
83.04987	2.3
83.08628	11.9
88.07619	2.3
91.05488	10.6
93.07047	27.3
95.08605	31.8
97.06526	2.3
97.10148	8.6
99.08112	2.0
105.07030	21.4
107.08591	22.0
109.06561	1.8
109.10162	18.3
111.08060	1.8
117.07008	9.8
119.08577	28.0
121.10146	17.8
123.08071	2.6
123.11715	4.7
125.09629	2.4
126.40791	1.4
129.07011	11.7
131.08563	23.2
133.10143	25.9
135.11739	12.6
137.09657	1.6
137.32968	1.3
139.11259	1.7
141.07002	2.8
143.08545	18.7
145.10132	24.0
147.11685	12.5
149.09579	1.9
149.13274	6.0
151.48383	1.3
155.08571	9.9
157.10120	26.5
159.11667	18.1
161.13281	8.0
167.08473	1.5
169.10141	15.3
171.11684	20.5
173.13187	12.7
175.14880	3.0
181.10136	5.6
183.11699	18.5
183.81168	1.4
185.13243	17.9
187.14824	5.7
189.16460	2.7
195.10020	1.3
195.11649	10.5
197.13243	11.8
199.14822	12.9
201.16467	5.6
203.14308	1.4
207.11691	1.6
209.13196	10.1
211.14865	10.5
213.16380	7.5
215.18015	1.9
219.17374	1.4
221.13217	2.4
222.42958	1.3
223.14819	6.6
225.16406	7.2
227.17949	8.8
233.13440	1.5
235.14801	2.0
237.16339	1.9
239.17986	3.1
241.19518	2.4
249.16373	1.6
253.19411	4.7
256.26245	1.5
265.19397	1.5
281.22556	1.9
293.18964	1.6
335.23627	1.8
355.26172	2.3
369.27759	1.6
396.49554	1.6
406.91275	1.6
419.29166	1.9
447.32153	1.9
489.36993	2.2
517.40057	6.7
549.42841	13.7
563.40039	2.8
578.33545	1.4
579.48401	1.4
581.24390	14.9
581.44342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.6
56.29438	1.8
67.05511	27.3
68.05147	2.0
69.07058	11.1
71.08589	2.2
79.05489	14.0
80.15176	1.8
81.07064	30.8
83.08624	9.6
91.05462	9.5
91.19801	1.9
93.07049	17.1
95.08604	27.4
97.06564	2.3
97.10173	3.6
99.04428	2.8
105.07027	13.3
107.08587	15.0
109.06474	2.1
109.10141	13.9
117.07012	9.1
119.08554	19.2
121.10144	13.1
123.08059	2.4
123.11733	4.9
125.14216	2.4
129.07024	7.7
131.08559	13.9
133.10138	12.5
135.11693	10.2
143.08568	10.6
145.10136	14.5
147.11678	10.7
155.08617	7.2
157.10104	15.4
159.11687	10.8
161.13254	3.7
169.10088	12.5
171.11647	12.2
173.13239	12.1
181.10225	4.3
183.11694	9.7
185.13324	8.9
187.14807	3.2
197.13245	9.7
199.14819	4.9
209.13304	3.3
211.14836	2.5
213.16379	9.5
223.14876	3.3
225.16299	4.9
227.17943	4.1
232.61682	2.2
239.17987	2.8
256.26294	3.1
293.18152	2.5
433.15887	2.1
445.04831	2.3
453.60751	2.3
508.27252	2.2
549.42792	11.3
573.57159	2.7
581.23688	10.1
581.46014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76500	0.3
60.26713	0.2
70.06595	0.6
99.04416	0.6
121.06516	3.2
164.07098	2.4
169.45564	0.4
199.22328	0.3
231.65962	0.4
307.08435	8.4
322.10727	100.0
348.00732	0.4
420.14450	1.6
484.16055	6.2
526.84753	0.4
582.19678	31.0
582.28552	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90058	0.4
54.17126	0.3
58.55631	0.4
70.84048	0.5
75.81970	0.3
88.27831	0.3
112.14775	0.4
197.63913	0.4
292.09518	0.7
304.09598	5.0
306.11319	2.4
311.77292	0.4
318.11145	0.7
319.08499	0.6
319.11938	1.0
320.09216	1.8
321.09888	2.0
322.10684	6.1
334.10724	2.5
336.12265	8.1
358.14359	0.7
374.13925	1.6
387.11099	0.6
390.13443	0.5
402.13373	1.7
420.14401	32.4
462.15414	44.6
492.16504	11.5
522.17566	17.5
535.16534	0.5
549.07336	0.5
582.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67091	0.2
58.02029	0.2
58.06564	0.2
68.42873	0.2
70.06545	0.5
81.03414	0.3
85.74312	0.2
93.18649	0.2
99.04448	0.2
99.69293	0.2
121.06427	1.1
139.68622	0.2
161.35136	0.2
177.05435	0.3
307.08356	7.7
308.09225	0.3
320.09238	1.1
322.10715	100.0
392.18506	0.2
420.14508	1.4
484.16119	4.2
495.56366	0.3
497.41849	0.3
573.03918	0.3
582.19696	32.3
582.27722	1.6
594.44806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98561	0.5
61.02937	1.0
69.03419	2.9
72.85423	0.6
81.03426	0.9
85.02905	6.6
87.04453	1.0
88.22400	0.7
97.02879	4.0
127.03887	1.2
129.07004	6.7
129.67326	0.6
131.04906	0.7
149.05997	3.1
151.88959	0.7
157.06474	35.9
158.06065	6.2
159.04333	0.8
161.05965	2.8
170.20941	0.7
176.07117	1.0
178.08633	0.8
185.34064	0.9
187.07550	11.5
188.07045	9.2
189.05446	10.5
197.08510	0.7
204.06551	27.3
206.08104	15.1
215.07141	0.8
216.06548	4.9
217.04997	3.4
232.06180	1.1
234.07602	1.2
319.08466	1.4
320.09152	29.3
331.12234	0.8
334.10712	3.0
336.12329	4.5
337.12860	1.3
357.11380	1.0
375.11853	1.1
402.13309	4.9
403.11923	1.7
420.14383	21.5
495.73074	0.8
582.19653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91306	0.5
58.06596	3.6
61.02936	0.6
69.03425	0.7
70.24338	0.5
72.28194	0.5
73.02911	2.3
85.02892	2.4
86.03205	0.6
97.02883	1.2
121.06481	0.9
137.05965	1.0
139.68625	0.6
147.04495	0.6
149.05981	1.0
168.10220	1.0
174.14264	0.6
287.05466	17.3
288.05835	19.0
292.09686	6.2
304.09445	4.1
305.10400	1.3
306.07770	0.8
306.11206	2.6
307.08383	3.3
318.07700	1.0
319.08362	2.1
320.09149	9.3
321.09912	19.7
322.10681	14.3
330.10959	0.7
334.10626	6.2
335.11005	0.7
336.12286	70.7
337.12674	0.8
338.13846	1.0
346.10660	0.7
358.10318	0.7
360.12366	1.1
374.14066	0.7
402.13120	1.2
402.26215	0.7
404.10983	0.7
420.14429	25.2
462.15491	34.5
492.16388	8.4
522.17639	13.9
582.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90058	0.4
54.17126	0.3
58.55631	0.4
70.84048	0.5
75.81970	0.3
88.27831	0.3
112.14775	0.4
197.63913	0.4
292.09518	0.7
304.09598	5.0
306.11319	2.4
311.77292	0.4
318.11145	0.7
319.08499	0.6
319.11938	1.0
320.09216	1.8
321.09888	2.0
322.10684	6.1
334.10724	2.5
336.12265	8.1
358.14359	0.7
374.13925	1.6
387.11099	0.6
390.13443	0.5
402.13373	1.7
420.14401	32.4
462.15414	44.6
492.16504	11.5
522.17566	17.5
535.16534	0.5
549.07336	0.5
582.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66753	0.7
64.52936	0.6
69.03426	1.4
69.41616	0.5
70.44815	0.6
81.03436	0.7
85.02908	4.3
97.02895	2.5
127.03952	0.7
130.20567	0.5
131.04921	0.6
135.08083	0.6
137.05980	1.3
157.06494	5.8
161.05942	0.8
163.07570	2.6
171.07962	0.8
175.07529	1.0
187.07596	3.8
203.10680	0.7
204.06575	13.4
206.08165	3.3
216.06587	1.0
263.12793	1.3
292.09720	0.7
320.09171	100.0
321.09900	0.6
334.11084	0.8
336.12335	2.4
373.16626	3.5
402.13385	2.3
420.14413	44.9
550.21289	0.6
582.19751	39.7
582.34631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30534	1.3
54.06446	1.2
55.01886	1.5
56.31539	1.4
57.03442	14.1
59.05014	2.3
59.52763	1.3
61.02920	2.3
69.03429	65.9
70.06587	3.7
72.08138	1.4
75.04488	1.7
81.03404	3.2
85.02908	82.5
86.09705	1.9
87.04467	65.2
91.03944	2.6
91.05475	47.7
97.02888	85.9
99.04440	7.2
103.03951	1.9
103.92855	1.4
105.07056	1.6
107.04955	3.5
109.02866	2.4
115.03925	100.0
120.26176	1.4
123.04379	1.9
127.03934	20.8
133.04961	64.2
145.04956	25.3
150.07608	2.3
161.04446	2.4
163.06032	9.8
169.04935	2.2
207.06487	3.6
217.08563	2.6
221.56740	1.6
223.06097	2.0
223.09698	6.7
241.07112	7.1
253.10686	6.2
259.08066	18.6
269.37070	1.6
271.11722	2.9
272.85092	1.6
277.09195	3.5
289.09082	1.6
295.10242	22.6
308.61725	1.5
311.47598	1.6
321.50125	1.6
325.11096	17.3
557.23016	1.9
582.22894	10.6
582.31750	2.4
590.37524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51730	1.9
58.06596	3.8
60.87958	2.1
62.91635	2.1
63.95394	2.2
67.50468	2.1
79.29993	2.1
85.02934	4.3
85.22964	2.5
85.57024	2.3
92.01615	2.4
103.05469	3.0
129.06934	2.9
131.04903	30.3
137.05986	71.7
143.08540	22.1
148.52487	2.4
151.07524	35.5
157.06499	14.2
161.05922	3.5
163.07536	92.8
167.07005	2.8
171.08063	61.8
175.07539	89.5
176.49251	2.5
177.09058	36.2
189.09119	31.8
203.10706	36.7
221.05911	3.5
221.09636	2.9
237.11121	3.4
249.09070	3.6
253.08630	5.5
253.12161	25.4
263.12787	87.3
267.10153	8.9
272.10394	3.1
281.11734	3.5
285.11243	29.4
297.11255	3.3
313.14294	14.1
320.09198	5.1
320.44427	2.2
336.12094	3.1
357.15399	2.6
373.16400	100.0
385.16425	5.2
506.42621	2.7
582.22626	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02559	0.7
58.00470	0.8
73.94800	0.8
74.77927	0.9
75.70229	0.8
83.30506	0.8
85.02946	0.9
97.23837	0.8
105.07021	5.0
105.67867	0.8
119.08506	1.0
129.07008	15.5
133.06488	8.8
136.05261	1.3
137.05986	3.5
148.05206	1.0
148.57373	0.8
151.07607	1.2
154.06227	2.0
155.04897	1.5
159.08026	15.6
161.05956	22.6
161.09595	1.5
166.06248	15.6
167.06960	1.4
169.08589	1.7
172.05194	1.5
175.07542	21.7
181.08585	96.6
187.07532	50.1
189.09055	2.0
190.06290	1.7
191.07187	1.3
192.07912	1.6
199.07515	10.3
205.08638	5.9
217.08594	1.9
235.11095	1.3
248.08539	1.1
249.09084	1.9
261.08975	1.2
262.09894	1.1
263.10681	3.6
264.11472	4.9
276.07928	1.5
277.08578	1.3
278.09225	1.3
278.33365	1.0
280.10959	3.3
281.11792	1.0
283.94507	1.0
291.10104	3.6
292.11011	9.6
293.08206	3.5
293.11725	5.3
295.13257	33.1
304.10989	1.4
305.11694	3.5
307.10046	0.9
307.13550	1.3
308.10568	6.6
309.11160	11.5
319.08359	4.3
320.09189	2.0
321.11258	8.1
323.12766	19.0
324.13528	23.7
325.10724	5.3
334.10599	6.3
335.12906	1.2
336.13467	10.1
337.10837	1.1
340.13074	9.0
355.15387	100.0
356.03748	1.0
357.16830	1.3
367.15335	17.7
369.16766	1.2
373.16406	12.8
385.16470	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2699
Annotation	Ergotamine
Peak:m/z	Relative Intensity
51.08292	0.9
62.56209	0.9
72.38161	1.1
83.59126	1.0
95.08607	1.7
98.06189	1.0
109.30939	1.0
121.06536	1.4
126.63798	1.0
132.04553	1.0
136.05101	1.1
138.64775	1.0
148.05183	4.7
149.05965	18.6
162.05464	1.9
175.06371	5.6
176.07065	42.9
177.07771	9.8
192.06552	59.6
194.08105	13.9
201.09082	4.1
202.46461	1.3
205.92220	1.1
215.10645	11.6
227.10764	1.1
229.12302	1.9
241.12270	4.7
255.10141	7.8
255.14009	1.2
271.09589	4.3
281.11777	2.0
295.16910	1.5
296.17862	1.5
321.09915	4.6
330.18350	7.5
336.12189	11.0
338.13840	1.3
343.19174	1.3
352.15634	5.3
353.16046	1.8
355.19116	3.8
428.84973	1.4
494.22348	1.2
582.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96774	1.2
61.80783	1.4
75.45971	1.4
81.07085	1.8
90.35196	2.4
95.08629	2.1
136.05206	1.8
145.64906	1.7
148.05212	2.5
149.05977	20.9
153.12946	1.7
175.06253	2.7
176.07068	43.2
177.07837	13.0
192.06548	54.0
194.08183	13.9
201.09067	3.0
205.05624	1.8
215.10643	13.6
229.12260	2.6
236.68633	1.6
241.12405	2.3
245.11928	2.2
255.10222	6.6
271.09705	2.0
292.09647	1.8
295.17114	2.2
320.09235	6.8
321.09851	3.2
330.18448	9.6
336.12219	14.7
337.12930	2.4
355.19147	2.7
374.68195	1.7
467.78638	1.7
582.27130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10929	1.8
65.94061	1.6
69.03435	3.5
71.04998	2.4
72.43261	1.8
72.46419	1.8
81.03413	6.8
81.07062	13.1
83.08608	1.6
85.02905	14.3
85.06554	24.5
87.00840	7.6
87.60406	1.8
91.05484	2.3
93.07010	3.6
95.08600	8.5
97.02881	8.4
105.01882	7.6
105.07047	7.2
107.08593	8.1
109.02894	4.0
109.10169	6.9
117.22238	1.7
119.08562	3.5
121.10141	8.3
123.11738	2.1
127.03927	11.3
131.08546	14.5
133.10091	5.5
134.44426	1.8
135.11694	8.3
143.08562	2.8
145.04971	2.5
145.10170	3.3
147.11646	15.4
149.13268	27.5
151.11159	1.8
157.10165	4.3
159.02882	3.8
159.11693	15.5
161.13249	35.5
171.11636	13.8
173.13231	9.4
175.14838	11.2
185.13239	7.1
189.12735	9.5
199.14821	3.4
211.14880	8.0
225.16353	10.2
231.04993	2.4
255.20938	3.3
281.20090	1.8
281.22626	63.6
299.23688	100.0
299.27060	3.6
308.12778	4.1
317.24634	2.6
320.08957	2.7
321.09824	10.2
336.12372	24.7
337.13126	17.7
338.13632	3.0
352.15463	41.4
564.30066	3.1
582.21753	6.9
582.32397	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
79.98948	5.6
81.07053	8.9
92.21476	8.6
95.04960	11.8
95.08611	6.5
105.07038	7.8
105.14050	6.3
107.08619	6.1
119.08622	8.3
121.10136	13.3
127.90983	6.9
131.08548	8.5
143.08537	8.4
145.10124	14.9
159.11665	8.0
183.11635	8.0
199.11113	6.2
223.14592	6.9
247.14949	6.0
273.18484	5.7
352.23776	24.3
444.29974	7.3
490.34210	9.5
582.40424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.7
56.05042	5.8
57.07077	1.7
62.31179	1.0
67.05504	4.6
69.07069	5.2
75.06830	1.1
79.65875	0.9
81.07047	1.9
83.08666	1.5
91.97095	1.0
93.07018	1.5
95.08580	12.6
97.10168	8.7
105.62486	1.1
109.10146	10.4
111.11768	1.2
123.08055	1.8
135.07930	1.4
137.09590	1.8
140.10701	71.8
154.12267	100.0
157.13354	46.9
171.14919	42.3
291.20923	1.2
309.21652	5.7
327.22778	42.2
378.42151	1.4
395.36261	25.7
409.37830	26.5
418.71408	1.4
484.36676	2.6
526.88342	1.2
558.59656	1.2
585.26379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1597
Annotation	2,3-Dihydrosciadopitysin
Peak:m/z	Relative Intensity
56.16076	0.4
57.80198	0.3
59.83633	0.3
61.11376	0.3
62.31454	0.3
72.24014	0.3
100.61754	0.3
101.90765	0.3
103.05462	0.8
105.03393	0.4
109.56793	0.3
111.73898	0.3
131.04945	3.0
177.76834	0.4
264.77679	0.3
283.06000	100.0
325.19135	0.3
565.15033	6.3
583.15918	3.9
583.48132	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06170	0.5
63.83392	0.5
111.24891	0.5
113.45465	0.5
132.84718	0.5
132.95845	3.7
144.95836	1.3
156.95862	0.8
156.99471	3.7
158.97391	7.7
160.08586	0.6
168.95807	2.9
169.30377	0.6
174.96896	13.5
175.00487	1.0
176.98384	1.1
186.96872	4.9
187.55566	0.6
198.96852	0.6
199.00449	4.3
204.98004	0.7
211.00488	3.0
216.97899	9.8
217.01483	0.7
218.91812	0.6
225.02211	0.7
229.01593	1.0
234.98981	100.0
235.77438	0.6
251.14070	0.6
253.00011	10.0
258.00534	0.9
289.03702	4.6
301.03564	4.5
319.04721	49.1
337.05847	3.7
499.71030	0.6
583.16467	11.8
583.24200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06170	0.5
63.83392	0.5
111.24891	0.5
113.45465	0.5
132.84718	0.5
132.95845	3.7
144.95836	1.3
156.95862	0.8
156.99471	3.7
158.97391	7.7
160.08586	0.6
168.95807	2.9
169.30377	0.6
174.96896	13.5
175.00487	1.0
176.98384	1.1
186.96872	4.9
187.55566	0.6
198.96852	0.6
199.00449	4.3
204.98004	0.7
211.00488	3.0
216.97899	9.8
217.01483	0.7
218.91812	0.6
225.02211	0.7
229.01593	1.0
234.98981	100.0
235.77438	0.6
251.14070	0.6
253.00011	10.0
258.00534	0.9
289.03702	4.6
301.03564	4.5
319.04721	49.1
337.05847	3.7
499.71030	0.6
583.16467	11.8
583.24200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47965	0.9
84.17426	0.8
120.08130	2.1
125.11530	0.8
131.01923	1.3
139.36450	0.9
143.01901	3.6
155.01894	4.0
161.02911	4.6
173.02937	2.2
174.24948	0.9
177.06114	1.5
183.05106	1.7
195.05135	1.1
201.06082	41.5
213.06082	25.7
215.07718	1.7
219.07094	13.2
221.04999	1.7
225.06096	2.2
227.07719	1.5
231.07140	14.4
243.07114	20.3
285.08331	2.0
287.09912	1.3
303.09244	100.0
321.10318	31.9
351.11307	1.2
367.01599	1.0
449.14832	1.3
478.21194	1.0
526.86786	1.1
528.19269	1.1
583.20923	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47965	0.9
84.17426	0.8
120.08130	2.1
125.11530	0.8
131.01923	1.3
139.36450	0.9
143.01901	3.6
155.01894	4.0
161.02911	4.6
173.02937	2.2
174.24948	0.9
177.06114	1.5
183.05106	1.7
195.05135	1.1
201.06082	41.5
213.06082	25.7
215.07718	1.7
219.07094	13.2
221.04999	1.7
225.06096	2.2
227.07719	1.5
231.07140	14.4
243.07114	20.3
285.08331	2.0
287.09912	1.3
303.09244	100.0
321.10318	31.9
351.11307	1.2
367.01599	1.0
449.14832	1.3
478.21194	1.0
526.86786	1.1
528.19269	1.1
583.20923	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00210	1.4
95.91096	1.4
121.06493	3.6
155.01981	1.9
164.28845	1.7
183.04904	1.7
185.02863	1.7
201.06082	35.0
203.05951	2.0
213.06065	28.6
219.07126	11.5
225.06018	7.0
231.07126	15.6
243.07146	19.9
261.08163	1.9
285.08160	1.9
303.09241	100.0
305.09042	10.1
321.10263	34.6
326.38333	1.7
583.20856	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
76.52151	0.4
86.26498	0.5
87.05518	0.5
102.06576	0.5
117.93363	0.5
121.36852	0.5
128.74010	0.5
131.01862	0.7
133.06003	0.6
143.01826	0.5
149.16571	0.4
151.10187	0.5
155.01811	3.0
156.01303	0.5
159.05006	1.1
173.02866	2.7
177.06061	2.8
177.62944	0.5
183.04959	2.5
185.02757	0.7
187.04399	0.8
195.05049	0.8
197.06496	0.7
201.06078	34.6
203.04039	0.9
203.05852	1.0
213.06070	24.2
215.05733	0.5
215.07600	2.7
219.07114	12.4
221.05043	1.0
225.06061	5.0
227.07570	0.7
231.07149	12.5
233.06798	0.5
237.06084	0.8
243.07121	19.6
255.07159	1.1
261.08167	1.1
282.13345	0.8
285.08081	1.0
294.48288	0.5
300.14297	1.0
303.09225	100.0
305.09198	2.1
307.15854	0.5
321.10297	31.3
323.10339	0.6
421.15637	0.7
422.07657	0.5
440.27469	0.5
443.39487	0.5
513.27191	0.6
583.20807	42.1
608.85541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00210	1.4
95.91096	1.4
121.06493	3.6
155.01981	1.9
164.28845	1.7
183.04904	1.7
185.02863	1.7
201.06082	35.0
203.05951	2.0
213.06065	28.6
219.07126	11.5
225.06018	7.0
231.07126	15.6
243.07146	19.9
261.08163	1.9
285.08160	1.9
303.09241	100.0
305.09042	10.1
321.10263	34.6
326.38333	1.7
583.20856	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71776	0.6
65.51916	0.7
68.73817	0.6
71.72986	0.6
89.35807	0.7
115.30700	0.7
123.71136	0.7
143.01891	1.0
155.01903	4.2
159.05106	0.9
173.03004	4.2
177.06099	4.6
178.15054	0.9
183.05000	1.5
185.02936	1.2
187.04449	1.6
201.06078	39.8
213.06059	25.3
215.07814	1.5
219.07132	12.4
221.05060	1.4
225.06145	4.3
227.07707	1.0
231.07115	15.3
237.06100	1.4
243.07104	21.3
243.09457	1.0
245.07146	0.9
255.07213	1.0
285.08340	3.0
301.04169	1.3
303.09232	100.0
305.09146	2.7
312.40024	0.7
321.10284	34.3
333.41165	0.8
358.00293	0.7
421.15488	0.9
486.08505	0.7
541.10291	0.8
583.11761	1.5
583.20856	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2178
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
51.02806	1.6
55.26495	1.5
60.19938	1.8
61.32261	1.8
68.46181	1.5
69.60735	1.5
71.89940	1.8
81.03431	10.3
81.13717	1.9
91.05519	6.7
97.55097	1.7
103.05457	2.0
105.07037	4.1
107.04951	12.4
115.05476	7.2
116.34620	1.8
117.07044	7.9
119.08582	2.5
122.03615	2.7
123.04463	2.1
124.05228	1.9
129.07042	1.8
131.04941	3.5
133.06464	13.2
137.05983	100.0
145.06474	22.5
147.08070	7.4
149.06006	3.7
151.03917	21.2
151.07655	2.7
153.05482	7.1
155.06050	2.2
157.06459	2.1
159.08125	2.6
161.05957	18.2
167.07034	95.6
173.05908	15.4
175.07584	9.0
177.05495	4.3
179.07085	7.6
181.04961	16.1
181.06435	2.3
181.08617	2.3
187.07611	5.9
189.05362	2.1
190.06303	2.3
191.07094	10.7
193.08664	8.4
195.06604	2.3
203.07043	3.3
205.08623	20.4
207.06450	17.8
207.10257	2.5
211.07681	2.1
217.08687	11.5
219.10071	2.1
221.08119	2.8
227.06871	1.8
233.08134	3.5
235.09679	16.6
241.08543	13.6
256.07370	2.0
257.08401	2.1
263.07150	2.1
269.07977	3.0
277.08600	3.4
283.09573	3.8
289.10898	2.1
295.09818	2.7
307.09744	2.4
313.10782	1.9
314.08017	4.4
319.08939	2.2
320.09235	10.5
321.10086	2.8
323.08972	2.3
323.12634	1.9
329.10007	14.7
334.10886	8.5
337.10562	3.8
348.10150	1.9
349.10928	2.3
351.12363	2.8
355.11752	3.8
367.11899	2.3
369.13641	2.6
377.08752	2.1
381.13492	2.8
385.12860	8.3
399.14294	3.9
411.14331	2.9
429.15524	3.3
441.15649	10.7
459.16574	27.1
460.83157	2.0
535.19299	2.5
547.19757	7.2
552.17706	4.4
553.19897	14.8
565.20831	29.6
572.19434	2.1
583.21716	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06526	1.0
67.05544	0.9
67.08870	0.9
68.55897	1.0
75.78455	0.8
79.05492	1.5
86.19922	1.0
91.05480	1.2
94.14919	0.9
103.05457	8.3
105.06998	1.6
107.04974	5.7
107.90795	1.0
108.22032	0.9
109.06555	1.4
111.04418	1.4
115.05421	1.3
117.07061	1.2
119.04871	1.0
121.06478	1.3
122.03626	1.1
123.04424	1.8
125.05997	1.4
125.07967	1.0
131.04919	31.7
133.02798	1.4
133.06519	3.8
135.04405	1.3
137.05978	60.0
137.25113	1.0
139.07562	1.2
143.04901	1.7
145.06514	2.3
148.05194	6.0
149.05988	4.4
151.03906	100.0
153.05479	4.7
161.05983	5.0
163.07526	22.1
165.05463	2.1
167.07028	16.8
171.04472	1.2
173.05975	4.3
175.07512	7.4
177.05493	1.8
178.06253	2.4
179.07022	1.0
181.04967	24.5
189.05515	1.1
189.09251	1.4
191.07027	86.9
193.04974	1.0
195.06425	1.2
203.07007	3.8
205.08669	5.0
209.08101	1.8
217.08583	1.8
219.10039	1.4
233.08176	3.4
235.09648	1.6
237.09155	1.7
263.06796	1.1
263.09171	12.0
264.07962	1.0
265.08661	1.1
277.08774	1.1
279.10284	1.0
295.09561	1.9
301.10605	1.0
307.09277	1.2
319.08420	1.1
320.09116	4.9
325.10608	2.1
327.12280	1.6
329.14072	1.4
334.10779	1.1
336.12271	2.1
337.10959	0.9
355.11813	3.6
357.13239	1.7
359.15082	1.1
369.13293	1.2
387.14343	33.8
399.00513	1.0
432.12207	1.1
453.19012	1.2
457.14014	1.1
565.20514	1.8
583.21320	7.1
604.13116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65519	2.3
65.47778	2.3
70.02383	2.4
79.05485	2.8
84.96773	2.6
103.05448	11.1
107.04955	9.3
123.04357	2.7
125.05984	4.7
131.04907	28.7
135.04393	2.9
137.05968	58.2
145.06479	3.3
145.10077	3.6
147.04459	2.5
148.05269	4.3
151.03906	100.0
151.05106	5.3
153.05428	4.4
161.05988	6.4
163.07549	15.4
165.09122	4.4
165.60889	2.6
167.06984	24.8
167.57104	2.6
173.05965	4.7
173.84731	2.7
175.07561	3.7
177.05389	3.1
178.06320	3.1
181.04967	19.8
191.06999	82.3
193.08575	2.9
195.06624	4.0
203.06996	4.2
207.06528	4.5
209.08092	3.5
210.54552	2.7
233.08150	4.2
235.09657	3.4
263.09079	12.4
265.08554	4.2
320.09183	12.6
334.10446	3.4
336.12079	4.1
355.11624	11.3
357.13428	3.5
369.13797	3.1
387.14352	34.3
566.34601	2.8
583.20782	15.3
603.71637	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29074	0.6
54.79408	0.6
62.84934	0.6
68.80876	0.9
103.05459	0.9
118.57268	0.7
121.06506	88.7
127.03897	1.2
138.09120	1.0
144.06523	3.4
150.09111	10.2
152.05663	27.3
162.07603	12.4
201.06134	4.0
213.06087	3.2
231.07222	1.3
264.12292	5.0
282.13342	100.0
284.09802	2.9
300.14423	67.7
303.09225	8.7
321.10471	1.4
427.59076	0.8
460.99249	0.9
461.51480	0.8
583.20288	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46297	0.8
63.72409	0.8
64.32753	0.7
99.04472	6.2
117.05503	0.9
118.02065	0.7
118.06529	1.7
132.08072	1.3
144.08105	6.6
146.06017	35.2
159.09171	5.4
188.07063	100.0
205.09735	37.9
234.77666	1.0
235.91353	1.0
316.52097	1.2
342.05298	0.9
381.68231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46297	0.8
63.72409	0.8
64.32753	0.7
99.04472	6.2
117.05503	0.9
118.02065	0.7
118.06529	1.7
132.08072	1.3
144.08105	6.6
146.06017	35.2
159.09171	5.4
188.07063	100.0
205.09735	37.9
234.77666	1.0
235.91353	1.0
316.52097	1.2
342.05298	0.9
381.68231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
73.23280	0.9
76.69064	1.0
81.07072	1.5
81.49196	0.9
110.15334	1.2
111.40284	1.1
166.87968	1.0
235.12523	1.4
251.11887	5.2
278.13235	1.5
280.14368	8.9
304.11823	17.5
306.16058	4.8
315.32010	1.3
319.13028	2.0
323.25955	2.2
343.12933	6.5
356.17734	2.3
374.14941	8.0
374.19266	1.3
387.15695	1.9
402.18304	8.2
423.21954	1.6
436.18869	1.7
495.20126	2.3
509.21860	5.3
523.23523	1.5
567.14630	1.5
568.23285	5.5
579.59357	1.4
583.25549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26063	1.3
67.05504	6.5
69.07071	2.7
79.05499	1.9
81.07061	7.2
95.08614	2.7
97.64053	1.5
109.10174	1.6
187.87726	1.5
225.10295	2.9
227.11806	3.6
237.10201	3.0
238.11040	2.0
239.11823	2.0
269.12811	7.0
285.12375	1.7
297.12335	96.5
299.13885	8.9
323.25732	16.3
371.24609	1.7
451.20950	1.8
453.17667	1.5
465.22729	2.9
523.22839	2.4
549.65063	1.8
583.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00903	1.1
54.11457	1.1
55.05518	1.4
67.05514	2.2
79.05531	1.9
81.07064	3.3
91.05470	1.6
93.07047	2.3
95.08631	2.3
105.07031	1.4
109.10188	1.8
119.08611	2.8
143.08615	1.7
145.10143	1.9
175.11169	1.6
183.11774	1.4
289.18076	8.0
296.00497	1.4
393.20578	2.9
405.20602	1.5
407.22427	6.3
420.22998	1.7
421.23798	6.6
423.17993	2.2
437.19839	8.6
448.22766	1.9
451.21307	23.5
465.23053	6.4
466.23526	7.0
477.26349	9.8
488.21454	2.4
493.25894	2.1
495.27469	16.7
503.24310	26.4
510.22635	5.5
521.25439	8.7
524.24359	1.9
539.26538	79.1
565.24664	1.8
583.25458	100.0
583.43048	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	3.3
71.68560	3.1
78.34688	3.2
81.07026	4.0
83.23562	3.2
86.58598	3.7
88.22128	3.5
173.37543	4.1
178.21660	3.9
449.23471	6.4
462.20596	4.5
477.22565	18.0
507.23770	7.5
535.23254	21.4
550.17896	5.7
550.25793	100.0
564.34930	4.2
566.24884	16.2
583.25696	17.3
583.40570	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10513	1.3
57.03439	2.3
67.05509	1.9
69.03420	10.9
78.44090	1.6
79.05479	1.9
81.03413	14.4
81.07066	7.5
85.02908	31.5
85.06548	8.6
87.00816	12.0
91.05486	2.5
93.07043	8.1
95.08602	7.2
97.02885	10.8
99.04441	7.8
105.01878	15.8
105.07040	10.7
107.08624	7.5
109.02870	18.2
109.10162	10.1
117.07036	2.7
119.08582	1.8
121.10108	7.8
127.03917	30.0
129.01805	3.0
131.08517	3.4
133.10124	7.5
135.11653	7.2
137.05988	20.8
145.04979	8.9
145.06491	2.9
145.10138	10.9
147.02930	2.0
147.11655	13.5
149.13322	1.8
157.10043	2.2
159.02908	9.1
159.11667	8.8
161.06058	2.6
161.13255	7.3
167.07001	20.2
170.96405	1.6
171.11644	2.9
173.06049	1.8
173.13292	4.3
175.14874	4.0
185.13275	2.8
187.14758	2.7
189.12779	3.3
191.14217	3.0
193.08659	2.0
199.14824	2.2
203.14384	3.7
205.15901	2.4
207.06490	2.9
215.18024	4.1
216.28619	1.8
225.16347	2.8
227.17952	1.8
229.19449	2.4
230.54181	2.2
231.04907	4.3
241.19635	3.5
249.06055	3.6
255.21030	2.7
281.22690	25.8
292.60959	1.7
299.23676	100.0
317.24762	37.1
320.09305	2.2
459.16501	3.2
464.60587	2.2
565.21002	3.7
565.29858	10.2
583.21625	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10513	1.3
57.03439	2.3
67.05509	1.9
69.03420	10.9
78.44090	1.6
79.05479	1.9
81.03413	14.4
81.07066	7.5
85.02908	31.5
85.06548	8.6
87.00816	12.0
91.05486	2.5
93.07043	8.1
95.08602	7.2
97.02885	10.8
99.04441	7.8
105.01878	15.8
105.07040	10.7
107.08624	7.5
109.02870	18.2
109.10162	10.1
117.07036	2.7
119.08582	1.8
121.10108	7.8
127.03917	30.0
129.01805	3.0
131.08517	3.4
133.10124	7.5
135.11653	7.2
137.05988	20.8
145.04979	8.9
145.06491	2.9
145.10138	10.9
147.02930	2.0
147.11655	13.5
149.13322	1.8
157.10043	2.2
159.02908	9.1
159.11667	8.8
161.06058	2.6
161.13255	7.3
167.07001	20.2
170.96405	1.6
171.11644	2.9
173.06049	1.8
173.13292	4.3
175.14874	4.0
185.13275	2.8
187.14758	2.7
189.12779	3.3
191.14217	3.0
193.08659	2.0
199.14824	2.2
203.14384	3.7
205.15901	2.4
207.06490	2.9
215.18024	4.1
216.28619	1.8
225.16347	2.8
227.17952	1.8
229.19449	2.4
230.54181	2.2
231.04907	4.3
241.19635	3.5
249.06055	3.6
255.21030	2.7
281.22690	25.8
292.60959	1.7
299.23676	100.0
317.24762	37.1
320.09305	2.2
459.16501	3.2
464.60587	2.2
565.21002	3.7
565.29858	10.2
583.21625	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84307	1.1
55.05507	5.8
57.03418	5.0
57.06823	2.1
57.07082	31.5
58.30154	1.3
62.54935	1.2
67.05503	9.4
68.65705	1.1
69.07065	5.4
71.08637	26.3
74.61291	1.1
79.06664	1.2
81.03419	5.9
81.07072	15.3
82.67329	1.3
83.08624	6.4
85.02926	1.3
85.09747	1.6
85.10184	15.1
95.08598	18.6
97.10157	7.7
98.98465	64.7
104.45049	1.5
109.02878	2.9
109.10150	8.7
115.46685	1.4
123.11692	2.5
155.01035	100.0
256.26276	2.7
267.26724	4.9
317.06293	8.5
341.30475	68.0
342.02274	1.6
421.27097	13.7
429.32047	5.1
565.31323	13.6
593.94720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60813	0.8
55.05518	7.2
57.03440	4.5
57.07077	2.2
67.05511	26.4
69.07063	10.7
70.44816	1.0
71.04990	2.4
73.38195	1.0
75.42194	0.8
79.05497	19.1
81.07066	26.7
81.92615	0.9
83.08627	6.1
85.06549	1.8
91.05485	19.0
91.16990	0.9
93.07047	25.3
95.04962	1.9
95.08617	22.2
97.06532	1.7
97.10197	1.9
105.07039	20.5
107.08598	13.9
109.10166	12.1
117.07021	7.7
119.08590	20.0
121.06544	1.7
121.10157	15.2
123.11736	4.2
128.04999	0.9
129.07028	6.7
131.08575	15.0
133.10141	26.2
135.08064	1.5
135.11705	13.2
137.09694	1.7
143.08568	7.5
143.39238	1.0
145.10135	18.4
145.46490	1.0
147.08072	1.6
147.11685	19.7
149.09636	1.1
149.13287	2.3
151.11197	1.2
155.08586	2.3
157.10130	10.5
159.11703	11.0
161.13293	6.2
169.10156	6.0
171.11678	14.1
173.13208	7.7
175.14851	1.3
181.10193	1.1
183.11713	6.9
185.13313	11.4
187.14880	5.6
189.16351	1.6
195.11749	2.2
197.13348	4.6
198.13629	1.0
199.14798	7.1
201.16440	2.2
203.17982	1.8
209.13174	2.2
211.14893	5.7
213.16386	10.5
215.18054	4.4
223.14732	1.8
223.82353	1.0
225.16345	2.1
227.18011	1.6
231.17493	15.0
239.17908	1.8
241.19568	1.2
259.20511	1.2
267.21097	1.1
305.21124	3.7
307.22678	1.8
329.23871	1.1
335.25714	8.7
358.62152	1.1
430.68472	1.1
491.38657	1.8
565.42889	7.7
583.43567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.8
55.69125	1.7
57.03430	7.1
57.07077	2.6
59.29089	1.8
60.94181	1.7
63.90339	1.9
66.64595	1.7
67.05508	41.6
69.07062	15.0
79.05499	41.9
79.80196	1.9
81.07066	47.4
83.05021	3.0
83.08639	11.8
88.07631	4.3
91.05489	22.6
93.07046	42.9
95.04956	3.0
95.08607	38.1
97.06532	2.4
99.08115	2.2
105.07047	27.1
107.08598	27.5
109.06552	2.4
109.10163	18.7
111.12556	2.1
117.07035	8.0
119.08574	37.9
121.10147	25.7
123.11723	3.0
129.07016	4.7
131.08557	18.9
133.10127	32.4
135.11696	19.5
143.08582	4.0
145.10132	24.2
147.11678	24.5
149.13297	10.6
155.08549	3.1
157.10178	4.6
159.11661	18.4
161.13196	13.9
163.11057	2.1
169.10156	2.9
171.11707	9.0
173.13225	14.6
175.14847	7.7
183.11688	7.8
185.13313	10.7
187.14861	8.2
195.11844	2.2
197.13300	3.2
199.14955	4.7
211.14915	3.2
213.16449	2.9
215.17921	2.7
222.40999	1.9
227.17921	2.5
231.17471	3.4
237.16357	2.9
241.19611	4.4
242.24779	4.5
259.20621	15.6
261.03210	2.1
261.22037	2.2
290.27097	2.5
307.22675	21.5
317.51599	2.9
333.24390	9.5
333.77161	1.9
565.42542	11.8
581.41425	3.0
583.43481	100.0
583.50787	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42278	2.6
51.30692	2.4
53.43958	2.3
55.05510	14.9
57.59846	2.7
67.05502	22.1
69.07075	6.0
79.05491	15.3
80.44484	2.6
80.57426	3.7
81.07071	33.5
83.08620	5.2
87.22824	2.6
91.05468	19.7
93.07034	22.6
93.23431	2.5
95.05003	4.7
95.08581	26.3
97.06561	2.9
105.07043	23.5
107.08604	13.2
109.10193	13.2
117.07011	3.7
119.08607	21.5
121.06504	4.8
121.08678	2.8
121.10144	14.7
129.07025	6.7
131.08582	14.3
133.10133	24.8
135.11761	3.7
143.08603	5.9
145.10146	12.0
147.11694	19.3
157.10124	15.3
159.11688	15.9
161.13219	4.2
169.10068	3.6
171.11641	11.8
173.13245	5.9
185.13335	5.2
188.63892	3.1
197.13263	4.5
199.14867	4.6
213.16388	12.6
225.16216	3.4
231.17450	12.5
280.04715	3.5
335.25745	5.2
355.56897	3.2
412.86194	3.2
491.38705	4.1
569.19885	3.5
583.43671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51275	0.3
61.56986	0.4
62.83086	0.3
65.81374	0.3
66.91178	0.4
101.40384	0.4
163.12129	0.5
175.69148	0.4
276.06522	0.5
278.08124	1.8
290.08087	13.6
302.08087	3.4
304.05997	11.8
304.09171	0.8
318.07587	18.1
318.54871	0.5
319.08383	61.8
320.09106	0.6
334.10712	100.0
348.11899	0.5
411.59531	0.5
486.15689	2.8
584.12079	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04005	0.4
58.18249	0.4
62.31746	0.4
69.03487	0.5
70.45033	0.5
81.03474	1.9
85.02956	1.4
97.02982	0.6
99.04454	7.5
117.05575	0.8
127.56189	0.5
145.86320	0.5
165.05559	0.8
172.03938	1.0
190.04973	16.0
218.04552	1.0
235.06346	0.9
244.97133	0.5
263.05780	2.6
264.06628	1.9
265.07394	0.7
276.06421	0.7
277.07346	1.1
290.07968	3.9
292.06143	4.4
292.09183	0.5
293.06961	2.7
302.04544	0.7
303.05280	3.8
304.05960	1.1
305.06979	0.5
306.07690	2.0
308.05637	0.7
318.07602	9.9
319.08243	4.5
320.05563	12.0
320.08966	1.5
321.06366	3.1
324.08643	32.0
331.04855	3.3
332.05664	0.7
334.07050	1.0
334.10678	9.4
335.07901	3.1
336.08661	0.6
346.06998	4.1
348.04941	3.2
349.05756	13.6
350.06613	0.6
350.10233	4.6
364.08142	100.0
394.06937	0.7
498.14124	0.7
540.14777	2.8
584.13635	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	1.7
63.58667	1.0
65.85076	0.9
69.03435	6.6
81.03426	9.3
85.02914	8.2
91.70633	1.0
97.02898	7.0
99.04465	4.4
109.02894	11.6
127.03907	9.4
145.04948	1.4
195.79822	1.2
278.11746	2.6
306.08270	2.3
306.11383	9.6
318.07755	2.0
319.08401	9.3
320.09149	35.7
321.09958	100.0
334.06882	1.9
334.10724	30.5
335.07761	3.8
335.11517	6.5
336.12317	52.8
350.10284	8.5
540.18591	4.9
584.17603	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13848	0.6
77.67701	0.6
94.54112	0.7
95.88150	0.7
103.80012	0.7
146.66585	0.8
150.77698	0.7
267.30753	0.8
290.08078	6.9
292.09457	0.9
302.08075	1.2
304.06024	4.7
306.07742	0.8
309.09930	1.1
315.08914	1.3
318.07523	7.2
319.08353	35.0
320.09109	4.9
321.09821	2.7
322.10306	0.9
324.12314	1.3
334.10709	73.9
335.07901	1.4
336.12250	7.2
338.13718	3.1
342.07657	5.1
343.08426	7.8
350.10196	4.4
356.05438	1.3
358.10651	4.9
370.07135	6.2
371.07767	4.9
374.06610	1.5
375.07294	1.5
386.10175	42.4
388.07996	5.0
389.08844	1.6
404.11218	12.9
408.24115	0.8
430.09390	0.9
433.01849	0.8
446.12186	5.1
506.14221	1.6
566.16321	4.7
584.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58484	0.7
70.06580	1.2
76.04938	0.7
82.62509	0.8
85.02847	0.7
91.34867	0.7
126.20913	0.8
140.27357	0.7
147.04419	1.3
171.29146	0.9
172.37592	0.7
192.12651	0.7
242.41673	0.9
272.00925	0.8
290.08054	7.2
304.05988	4.8
315.08752	1.1
318.07416	7.3
319.08392	42.1
320.09143	4.3
321.09946	3.4
322.10440	1.1
323.11597	1.1
324.12149	3.1
334.10721	83.8
335.07983	1.5
336.12222	10.2
338.13782	1.9
342.07526	3.9
343.08429	10.4
350.10211	5.7
358.10672	4.8
360.08444	1.1
370.06961	5.6
371.07883	5.0
372.08505	1.2
374.06659	1.4
375.07343	3.1
386.10178	43.1
388.08179	5.0
389.08862	3.9
404.11316	12.3
410.86572	0.8
446.12262	4.5
476.13272	1.1
506.14120	1.2
548.15271	1.5
566.16583	1.6
584.17444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90105	0.2
109.51138	0.2
193.31413	0.2
292.09634	1.7
320.09174	100.0
324.12494	0.4
347.80273	0.2
429.75262	0.2
517.52747	0.2
584.21283	30.5
601.75604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44973	0.1
60.25841	0.1
70.06569	0.2
96.08129	0.1
100.77104	0.1
105.44615	0.1
107.04949	0.1
114.09137	0.4
137.09608	0.3
149.80374	0.1
161.09628	0.8
164.07085	0.1
165.09090	0.6
169.98433	0.1
211.21246	0.1
225.11232	0.1
228.16006	0.1
238.43301	0.1
268.70532	0.1
277.07187	0.2
290.08194	0.1
292.09659	2.6
308.09250	0.1
309.10492	0.1
318.07742	0.2
320.09171	100.0
322.10440	0.2
324.12326	0.8
330.55655	0.1
387.16464	0.2
584.21240	27.0
584.43689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19257	0.3
64.54930	0.3
94.71519	0.4
138.50710	0.3
290.08154	0.5
292.09674	3.4
305.06039	0.4
308.09167	0.7
314.10254	0.4
318.07562	0.7
319.08325	3.4
320.09149	100.0
321.09943	2.7
322.10678	2.5
324.12076	0.7
334.10678	6.5
335.10971	0.5
336.09198	0.4
336.12271	11.8
386.10410	2.0
584.21289	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04911	0.5
60.51892	0.5
78.99940	0.5
83.11143	0.5
100.61643	0.6
104.41061	0.5
110.84389	0.5
120.95024	0.6
136.62915	0.5
179.89967	0.5
228.81805	0.7
292.09711	2.3
320.09146	100.0
362.13895	0.7
533.45874	0.6
584.21295	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60555	0.3
54.14023	0.3
54.83910	0.3
56.81102	0.3
61.49094	0.3
74.54630	0.3
84.09789	0.4
100.39505	0.3
113.94662	0.3
131.32173	0.3
153.67859	0.3
220.74687	0.4
292.09702	2.6
320.09167	100.0
324.12311	0.9
334.10867	0.5
336.12149	0.5
338.14044	0.6
396.48184	0.5
401.07806	0.4
453.53714	0.4
584.21332	24.9
607.80847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04911	0.5
60.51892	0.5
78.99940	0.5
83.11143	0.5
100.61643	0.6
104.41061	0.5
110.84389	0.5
120.95024	0.6
136.62915	0.5
179.89967	0.5
228.81805	0.7
292.09711	2.3
320.09146	100.0
362.13895	0.7
533.45874	0.6
584.21295	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32037	0.1
81.16059	0.1
100.03603	0.1
104.25681	0.1
104.26308	0.1
124.07373	0.1
125.14678	0.1
153.93567	0.1
262.08582	0.1
290.07986	0.3
292.09647	2.4
308.09372	0.1
309.09961	0.2
318.07642	0.4
320.09158	100.0
324.12296	1.2
452.07452	0.1
452.15533	0.1
584.21271	31.2
590.45203	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36229	0.1
63.91486	0.2
66.01526	0.2
68.37535	0.2
68.37913	0.2
70.06569	0.2
70.42751	0.2
85.09018	0.2
117.01580	0.2
118.93841	0.2
134.94273	0.2
237.48965	0.2
292.09586	1.9
320.09164	100.0
322.10736	0.3
324.12466	0.2
336.08704	0.3
340.26486	0.2
584.21283	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90524	0.2
95.02062	0.3
99.72839	0.3
113.46487	0.3
114.03226	0.3
125.77876	0.3
153.71344	0.3
172.87943	0.3
188.55539	0.3
231.09091	0.3
278.51111	0.3
292.09750	2.2
320.09155	100.0
336.08566	1.4
360.63135	0.3
488.08386	0.3
548.12762	0.3
584.21289	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.213
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64698	0.3
78.52412	0.3
95.90797	0.3
101.78192	0.3
102.56869	0.3
106.13362	0.3
112.92313	0.3
119.66750	0.3
144.82397	0.4
202.14236	0.3
211.70576	0.3
223.99706	0.3
292.09750	2.0
297.14676	0.3
320.09161	100.0
443.65027	0.3
463.41800	0.3
584.21277	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37223	0.1
54.70836	0.1
88.83748	0.2
147.26955	0.1
226.84853	0.1
292.09662	1.8
318.07504	0.5
320.09164	100.0
400.01279	0.1
584.21265	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87094	0.3
67.10011	0.3
75.15366	0.3
122.64620	0.3
179.67252	0.4
292.09525	2.4
320.09183	100.0
324.11981	0.3
336.08646	3.7
434.00381	0.4
566.04193	0.3
584.21326	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
67.05499	2.9
79.05481	3.1
79.22839	1.9
79.98174	1.9
80.58357	1.8
81.03402	2.9
81.07062	11.8
85.02917	9.8
87.00821	2.5
88.17840	1.9
91.05477	3.8
93.07043	8.9
95.08620	14.6
97.02883	2.6
99.04449	2.6
105.01859	3.3
105.07042	13.4
107.08582	16.7
109.02856	2.2
109.10162	11.0
119.08622	8.1
121.06521	8.4
121.10130	36.3
123.11686	2.2
127.03942	4.2
131.08566	4.7
133.10104	13.9
135.11725	29.9
139.11186	10.8
143.08531	2.2
145.10138	14.5
147.11687	45.0
149.13315	9.4
151.11122	2.3
157.10150	3.6
159.11668	18.8
161.13278	9.4
167.10779	2.8
171.44217	1.9
173.13290	11.2
185.13206	3.7
193.12263	9.9
199.14833	21.1
205.12207	9.1
213.16383	3.0
219.14035	1.9
224.12111	2.1
227.14284	2.0
249.05954	4.2
255.21039	86.2
283.20401	8.2
284.09741	3.5
301.21603	100.0
320.09125	22.7
336.12262	10.6
387.23007	3.6
468.55963	2.2
503.27029	3.0
549.26355	2.5
584.25934	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.48864	0.9
67.05533	1.2
68.04778	1.1
69.03423	6.5
71.04975	1.4
79.05513	1.4
81.03412	5.5
81.07049	7.1
85.02903	17.4
87.00824	6.4
91.05486	1.7
93.07031	4.6
95.08587	1.7
97.02908	4.9
97.06541	1.5
99.04478	2.1
104.12503	1.1
105.01846	6.3
105.07027	5.0
107.08573	4.6
109.02869	8.0
109.10175	1.6
111.08088	2.3
117.40313	1.2
119.08572	2.6
121.06470	2.8
121.10133	1.6
123.08054	9.2
127.03902	14.5
131.08545	2.6
133.10115	5.1
137.09590	1.6
143.08571	2.6
145.04973	1.7
145.10124	15.5
147.11676	2.1
157.10104	2.4
159.11713	5.7
171.11696	2.1
181.10080	1.3
183.11703	1.7
185.13254	5.8
189.12756	7.1
195.11673	6.7
197.13214	9.4
203.14333	2.1
209.13225	4.9
213.04073	2.1
213.12747	2.5
213.16360	1.9
225.16461	2.3
227.14343	9.9
227.17972	1.4
231.04919	1.8
241.19322	1.4
251.17952	17.8
269.18973	100.0
287.19788	1.3
301.21597	59.9
319.08453	2.5
319.22653	32.7
321.10019	1.5
334.10614	9.3
336.12344	6.0
364.08475	8.2
388.21490	1.3
531.25415	1.8
549.26880	2.0
584.22589	2.3
584.35602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
64.76810	4.3
65.83925	4.4
67.05514	19.8
69.07077	9.0
79.05503	12.2
81.07072	37.9
83.08640	5.7
91.05467	26.5
91.93426	5.0
93.07052	51.9
95.04958	37.6
95.08614	26.6
96.04014	4.7
105.07033	66.1
107.08607	47.8
109.10161	19.4
117.07024	22.6
119.08578	74.1
121.10134	41.9
123.08070	9.8
129.07016	8.1
130.07747	4.9
131.08563	47.8
133.10149	48.7
142.07755	6.0
143.08557	36.2
144.09343	6.0
145.10149	80.9
147.11711	10.5
149.09584	5.6
155.08582	23.2
156.09360	5.1
157.10133	50.4
159.11728	24.0
161.09662	7.8
161.13312	6.4
167.10690	10.7
168.10867	4.7
169.10095	23.1
170.10835	6.4
171.11662	22.3
173.13272	20.8
181.10167	10.3
183.11673	31.9
185.13268	8.6
193.10065	5.4
195.11780	22.1
197.13255	26.1
207.11864	9.3
209.13252	20.3
211.14709	7.7
223.14746	10.4
233.13239	6.8
235.14693	5.2
249.16365	5.3
275.18057	6.1
332.37073	5.0
492.35382	19.0
584.42267	100.0
584.50348	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51661	0.6
54.28220	0.7
56.05030	1.9
56.58521	0.7
65.80773	0.8
67.05507	1.1
69.07067	1.4
70.06607	0.7
76.57340	0.8
78.05905	0.8
81.07047	1.3
83.08598	0.9
90.38889	0.7
93.07053	1.0
95.08611	1.4
97.88898	0.8
109.10159	6.8
125.09609	1.0
137.09619	1.2
138.12779	0.9
153.13867	3.8
154.12263	100.0
166.15776	1.2
168.13849	15.0
171.14923	41.5
172.13342	2.0
182.15404	14.8
184.13345	1.1
185.16483	4.0
196.16959	4.5
199.18062	4.3
210.18494	9.5
212.16403	3.1
226.03746	0.8
227.21182	1.3
240.58864	1.0
256.32492	1.0
319.23865	1.9
320.09113	8.3
320.22083	1.6
336.12146	1.4
337.24811	4.7
347.26953	1.9
355.25912	37.3
365.28000	3.3
369.27505	3.8
383.29083	26.6
397.30396	4.4
411.32211	5.3
457.84250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51078	1.7
54.69327	2.1
55.01866	1.7
56.05041	4.5
67.05505	3.3
69.07073	5.2
69.11810	2.1
81.07085	2.7
81.64296	1.8
95.08611	4.6
107.08628	2.8
109.10192	8.7
119.08610	3.1
124.11230	3.5
125.09586	3.3
133.10126	2.4
154.12280	78.6
167.15392	2.5
168.13829	98.3
170.11772	4.6
171.14920	48.2
181.43431	2.1
185.16478	41.4
196.16975	65.9
198.14851	9.0
209.20029	3.6
210.18521	100.0
213.19644	9.1
227.21196	13.1
319.08182	2.4
320.09143	3.9
333.25223	4.6
334.10645	8.5
334.23566	3.7
336.12109	2.7
340.99500	2.7
351.26349	10.9
355.25946	24.7
362.26926	3.4
369.27487	66.9
379.29510	4.1
397.30615	72.8
411.32245	14.9
415.64581	2.2
509.37973	2.4
584.19623	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.2
59.83126	1.2
67.05505	1.5
85.98072	1.3
90.11664	1.5
91.80177	1.4
105.04676	1.1
109.10156	5.5
110.35268	1.5
111.11687	1.5
111.31494	1.1
140.10716	7.5
146.56187	1.3
153.13844	3.0
154.12263	100.0
157.13333	3.1
170.11736	1.9
171.14911	39.5
196.16899	5.2
210.18541	1.7
224.20126	1.8
246.03828	1.4
305.22202	1.5
319.08313	2.2
320.09042	5.1
323.23215	2.0
334.07117	1.5
334.10654	8.2
341.24323	26.2
355.25876	2.5
361.28519	2.0
369.27621	2.1
379.29767	2.6
397.30579	25.9
425.33591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70827	3.5
53.27200	4.1
55.95310	4.0
57.07079	44.8
65.81287	4.3
67.05518	5.9
71.08630	41.2
73.06562	5.2
76.55064	4.3
85.10178	22.0
88.07632	5.0
89.06036	100.0
117.09142	4.2
121.10168	7.1
133.08623	25.1
133.10161	5.8
177.11131	17.9
234.80583	4.6
243.25130	6.2
301.06177	4.5
567.44666	51.7
584.48621	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67455	1.4
62.42900	1.4
72.12643	1.6
82.99854	1.5
85.02895	2.4
100.62492	1.8
101.00907	1.9
119.01917	9.4
136.80968	1.6
143.01878	23.6
145.03476	7.5
145.60699	1.8
155.01915	14.2
157.03517	2.0
158.89751	1.7
161.02942	20.3
161.06476	2.1
163.04533	8.9
164.21118	1.7
167.01924	7.7
169.03487	2.1
173.02966	17.4
173.06635	7.5
175.04558	8.6
185.02966	26.2
185.06535	13.3
187.04478	20.8
193.05614	13.6
197.02953	14.6
197.06599	3.4
199.04500	22.8
201.06128	2.4
203.04059	12.6
205.05602	14.7
211.04744	1.8
213.06097	2.0
215.03976	12.0
215.75316	1.8
217.05576	66.8
221.04951	2.4
227.04024	7.1
227.07646	2.2
229.05569	63.3
231.07245	7.7
235.06638	6.1
239.04086	2.1
241.05528	13.3
243.03479	72.1
245.05055	85.2
247.06630	3.6
248.59528	1.9
257.05054	2.5
259.06635	40.7
259.09091	2.0
261.04645	6.6
263.06076	12.8
271.06558	3.3
275.05997	1.8
277.07736	6.7
283.06821	3.0
301.07672	2.1
303.05582	16.7
319.08871	8.5
333.07022	3.3
359.57370	2.2
361.09793	8.5
363.07785	10.1
379.11032	9.4
393.10760	1.8
405.08792	13.7
423.09775	43.6
465.11081	3.7
541.15906	11.6
567.13788	2.1
585.15149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40323	0.2
53.69835	0.2
58.64127	0.2
59.59961	0.2
72.65650	0.2
86.29543	0.2
105.03374	0.4
131.04903	0.3
158.85303	0.2
165.01830	0.2
255.06563	0.7
283.05991	100.0
285.07571	0.8
334.10452	0.3
469.41681	0.2
567.16290	1.7
585.17804	5.3
585.26471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1751
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
71.43187	0.2
95.08585	0.4
98.98441	0.3
105.03386	0.4
105.06992	0.4
165.23404	0.3
179.03326	0.3
212.76111	0.3
257.83423	0.3
283.05981	100.0
285.11127	0.4
319.08398	0.4
325.27304	0.4
334.10815	0.6
345.85056	0.3
349.10614	0.6
549.15112	0.3
559.16797	0.3
567.16461	14.2
567.25848	0.5
585.17450	6.5
585.26459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46497	0.4
56.07553	0.3
62.25021	0.3
67.53589	0.5
70.06575	0.6
72.94698	0.4
73.81126	0.4
84.08144	0.7
99.04447	0.5
111.01018	0.4
119.04915	0.5
124.66675	0.5
129.52597	0.4
145.72128	0.5
146.41403	0.4
147.04411	5.5
154.96628	0.6
192.10187	0.8
201.73044	0.5
291.08649	0.6
292.09650	10.8
297.10486	0.6
304.09692	2.6
306.07693	3.2
308.12827	0.9
319.08286	1.0
320.09085	13.7
321.09955	32.2
322.10425	1.7
323.11157	0.7
324.12051	0.7
325.12595	0.6
334.10773	0.8
335.11115	3.6
336.12302	100.0
337.12949	6.7
338.13843	2.0
339.14133	1.0
352.15393	14.5
371.82983	0.5
387.10559	1.8
585.20306	22.6
585.29553	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.7
72.97633	1.1
78.25953	0.8
89.06046	0.9
89.72457	0.9
93.03390	3.7
95.01291	0.8
106.98902	0.9
107.04984	1.6
110.03650	4.7
111.04455	6.9
121.02799	6.3
125.05985	8.4
133.02754	1.0
137.05978	1.3
149.05983	1.3
151.03915	24.3
153.05469	28.9
159.07899	1.1
161.05946	1.5
161.09633	1.5
167.07063	3.6
171.08060	1.0
177.05412	1.0
179.07048	1.0
212.08389	1.4
221.09601	1.4
225.09105	1.8
238.06281	1.0
238.09837	1.7
240.07799	5.6
249.09048	3.7
249.11324	1.9
252.07797	1.5
253.08578	22.1
253.12170	8.3
254.09311	2.2
255.10179	1.9
266.09326	1.5
267.10104	1.6
277.08615	1.2
279.10110	1.2
281.08099	3.9
281.11703	8.1
282.09021	1.9
283.09671	9.7
284.10391	3.8
285.11264	4.2
285.14764	1.9
295.09561	2.1
297.11154	1.4
298.11816	2.1
299.12891	10.7
309.11002	6.6
310.12006	4.8
313.10678	15.7
313.14346	6.7
320.09198	1.6
321.09891	1.0
325.11111	1.1
326.11295	1.2
327.12247	24.6
328.13013	2.2
331.15378	3.6
336.12292	1.2
337.12112	1.0
339.12192	1.3
341.13730	4.4
357.13156	3.2
359.14874	100.0
361.16287	1.4
371.14880	6.1
372.15842	1.0
389.15845	6.1
434.12088	0.9
505.18622	1.4
585.21869	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86600	0.3
56.39185	0.4
56.66880	0.3
66.63786	0.4
69.37755	0.4
85.02900	0.5
85.52770	0.4
92.20911	0.5
99.04453	2.8
106.76457	0.4
137.05948	0.6
151.03923	1.6
153.05455	1.5
170.09177	0.4
175.03822	0.4
175.06306	0.9
176.07066	2.6
178.08600	2.7
183.89302	0.4
192.06546	5.5
229.12221	0.5
253.08508	0.6
292.09628	10.7
294.08759	0.4
304.09613	1.6
306.07660	2.9
308.12851	0.6
313.10535	0.8
320.09177	12.5
321.09930	33.7
321.55322	0.5
327.12479	0.6
334.10712	0.7
336.12283	100.0
359.14828	5.1
360.12305	1.0
374.13760	0.9
375.14615	1.7
390.17145	4.2
392.18408	0.6
463.58197	0.4
550.85126	0.4
567.24866	43.7
585.25970	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14763	0.5
63.87289	0.5
75.48090	0.5
85.06530	3.4
99.04449	11.6
117.05488	1.1
118.06508	0.7
121.08583	0.8
132.08086	1.2
136.75009	0.6
144.08070	5.2
146.04890	1.2
146.06012	30.0
146.07179	1.1
159.09122	4.3
162.08476	0.6
170.06020	1.1
181.58261	0.6
188.07063	100.0
189.07401	1.0
190.07640	0.7
205.09724	33.9
206.10045	0.7
261.09711	2.4
363.16409	0.8
429.78918	0.6
463.43063	0.5
605.78986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14763	0.5
63.87289	0.5
75.48090	0.5
85.06530	3.4
99.04449	11.6
117.05488	1.1
118.06508	0.7
121.08583	0.8
132.08086	1.2
136.75009	0.6
144.08070	5.2
146.04890	1.2
146.06012	30.0
146.07179	1.1
159.09122	4.3
162.08476	0.6
170.06020	1.1
181.58261	0.6
188.07063	100.0
189.07401	1.0
190.07640	0.7
205.09724	33.9
206.10045	0.7
261.09711	2.4
363.16409	0.8
429.78918	0.6
463.43063	0.5
605.78986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	40.4
57.03436	18.1
63.76399	3.6
67.05506	48.0
69.07063	22.0
70.98132	4.5
71.04981	4.2
79.05508	32.4
81.07067	65.9
83.04993	6.1
83.08633	36.7
85.06559	5.2
90.56493	4.5
91.05475	25.2
93.07042	40.0
95.04955	6.2
95.08617	57.2
97.10179	45.8
99.08083	4.8
100.01440	4.1
105.07013	27.0
107.08595	46.9
109.10143	27.7
109.28782	3.7
115.05534	4.9
117.07031	25.9
117.81716	4.1
118.01225	3.8
119.08537	31.0
121.10126	19.9
121.31695	4.2
123.08048	4.5
125.09679	36.4
129.07001	25.8
131.08585	38.3
133.10107	24.8
135.08136	5.7
135.11682	9.0
141.06912	17.1
143.08536	29.9
145.10149	30.7
147.08070	5.6
147.11710	18.3
149.13303	5.5
155.08560	23.0
157.10114	32.9
159.11682	26.0
169.10107	31.0
171.11742	32.2
173.13213	9.9
173.35867	4.6
181.10138	17.9
183.11748	36.4
185.13277	24.1
187.11230	5.1
189.11211	6.3
189.12720	5.1
193.10028	4.9
195.11679	23.7
197.13243	20.6
199.14830	8.8
207.11719	6.5
209.13293	10.5
211.14841	18.0
223.14804	5.8
235.14796	9.1
237.16429	5.7
273.18619	7.1
275.19894	7.4
320.09073	5.6
321.09436	6.8
327.23309	7.5
336.12372	19.3
338.99051	4.5
341.24597	8.6
363.27011	5.1
381.68402	4.8
395.29355	9.3
397.30878	5.4
413.30435	18.3
432.17825	4.7
447.65796	4.8
491.35300	4.9
509.36386	7.1
513.37024	6.6
531.38190	9.7
549.39215	44.7
567.40405	72.6
585.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4148
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
55.05520	40.4
57.03436	18.1
63.76399	3.6
67.05506	48.0
69.07063	22.0
70.98132	4.5
71.04981	4.2
79.05508	32.4
81.07067	65.9
83.04993	6.1
83.08633	36.7
85.06559	5.2
90.56493	4.5
91.05475	25.2
93.07042	40.0
95.04955	6.2
95.08617	57.2
97.10179	45.8
99.08083	4.8
100.01440	4.1
105.07013	27.0
107.08595	46.9
109.10143	27.7
109.28782	3.7
115.05534	4.9
117.07031	25.9
117.81716	4.1
118.01225	3.8
119.08537	31.0
121.10126	19.9
121.31695	4.2
123.08048	4.5
125.09679	36.4
129.07001	25.8
131.08585	38.3
133.10107	24.8
135.08136	5.7
135.11682	9.0
141.06912	17.1
143.08536	29.9
145.10149	30.7
147.08070	5.6
147.11710	18.3
149.13303	5.5
155.08560	23.0
157.10114	32.9
159.11682	26.0
169.10107	31.0
171.11742	32.2
173.13213	9.9
173.35867	4.6
181.10138	17.9
183.11748	36.4
185.13277	24.1
187.11230	5.1
189.11211	6.3
189.12720	5.1
193.10028	4.9
195.11679	23.7
197.13243	20.6
199.14830	8.8
207.11719	6.5
209.13293	10.5
211.14841	18.0
223.14804	5.8
235.14796	9.1
237.16429	5.7
273.18619	7.1
275.19894	7.4
320.09073	5.6
321.09436	6.8
327.23309	7.5
336.12372	19.3
338.99051	4.5
341.24597	8.6
363.27011	5.1
381.68402	4.8
395.29355	9.3
397.30878	5.4
413.30435	18.3
432.17825	4.7
447.65796	4.8
491.35300	4.9
509.36386	7.1
513.37024	6.6
531.38190	9.7
549.39215	44.7
567.40405	72.6
585.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78905	0.6
58.06618	0.9
62.20227	0.6
64.58228	0.6
99.04472	4.0
141.63681	0.7
290.08221	1.4
294.07700	1.0
295.08362	0.9
296.05505	1.5
301.15836	0.8
304.05817	0.8
311.07864	31.8
318.07654	3.5
319.08264	8.3
320.09137	6.1
321.09793	1.4
325.19089	0.9
326.10223	100.0
334.10730	19.1
335.11206	1.6
336.12274	11.5
528.17029	0.7
586.19305	46.2
586.27362	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	1.1
75.53138	0.5
165.86572	0.5
236.29118	0.6
265.96417	0.6
280.09726	0.9
307.19022	0.7
308.09250	3.6
322.07095	9.6
323.07880	1.1
324.08661	5.2
336.08582	2.4
364.11734	7.1
394.12997	1.1
406.12912	2.1
424.13885	44.3
558.19989	2.6
586.19214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	1.1
75.53138	0.5
165.86572	0.5
236.29118	0.6
265.96417	0.6
280.09726	0.9
307.19022	0.7
308.09250	3.6
322.07095	9.6
323.07880	1.1
324.08661	5.2
336.08582	2.4
364.11734	7.1
394.12997	1.1
406.12912	2.1
424.13885	44.3
558.19989	2.6
586.19214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73833	2.2
51.81737	2.1
68.05042	3.3
70.27853	2.7
73.57428	3.0
74.00668	5.4
76.03989	4.1
80.05000	2.9
81.03419	14.0
84.04501	26.2
86.06080	14.2
92.01671	6.5
94.21130	3.3
96.04501	4.5
97.02894	71.4
98.06053	6.7
99.04512	4.5
99.05586	30.0
104.00410	3.2
108.04496	11.6
109.02880	7.1
110.06036	15.4
114.05519	11.6
122.06041	4.1
125.02362	5.8
126.05559	4.3
127.03975	4.6
127.05064	4.6
130.05008	100.0
134.06032	6.5
136.03929	48.7
136.07585	4.4
140.01698	4.0
140.64334	3.0
142.03210	6.0
142.05026	21.2
145.06085	42.8
146.05994	3.6
148.07610	5.8
151.25433	3.5
154.04968	13.9
162.05508	5.7
164.07071	27.0
165.06618	6.1
176.07112	6.4
177.03273	15.6
177.05424	4.5
180.06564	6.7
181.06125	5.1
192.06606	17.5
192.10477	4.2
193.06087	5.5
194.08122	25.7
195.07611	5.4
200.52676	3.5
208.01486	3.0
208.06050	59.6
209.05580	6.9
210.07610	3.8
211.07137	35.2
213.08659	14.2
220.06032	12.9
226.07068	14.2
238.07082	88.5
243.04196	11.9
256.08185	15.8
256.97675	3.2
257.07684	7.8
274.09225	74.6
285.05472	4.5
295.13260	50.9
352.11371	4.3
382.12466	21.6
406.15182	3.5
418.14432	6.7
424.17487	3.7
432.10172	6.1
436.15814	4.2
502.18362	21.1
513.44995	3.3
532.19391	47.0
543.00146	3.4
550.20624	13.3
568.21899	34.7
579.79700	3.5
586.22760	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18646	0.5
54.11203	0.5
54.52731	0.5
58.92910	0.6
60.19059	0.6
61.10152	0.5
61.39556	0.5
63.19130	0.6
65.17275	0.6
79.05489	0.8
97.95902	0.7
99.99280	0.6
111.44175	0.6
121.06471	0.9
129.34471	0.8
177.78650	0.7
179.72519	0.7
198.46147	0.7
228.22772	0.7
244.09428	0.7
285.82471	0.7
292.09689	4.2
320.09164	100.0
321.09869	6.0
336.12323	20.8
337.12515	1.4
568.76306	1.0
586.24274	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24262	1.0
65.03944	1.4
75.04507	2.3
81.03423	1.2
85.02931	3.0
89.06053	1.7
91.05470	3.0
93.03419	18.1
93.07054	6.3
97.06527	2.7
99.04436	2.5
103.05505	2.5
105.07034	5.4
106.04175	18.4
107.04951	1.5
107.08581	3.1
109.02885	3.1
121.06508	30.8
121.23095	1.3
123.04424	1.4
125.05996	10.6
127.03919	2.4
131.04924	1.9
133.02869	5.9
133.06490	2.9
137.05981	7.9
139.07599	2.1
145.02856	1.7
145.10083	1.5
147.04427	2.6
149.05984	76.6
151.07539	2.4
153.09102	17.2
161.05975	13.1
163.07573	3.1
163.11255	9.0
167.10706	3.0
169.08572	13.4
175.79588	1.3
177.05463	40.4
177.41875	1.3
181.08589	28.6
181.12157	1.7
181.79887	1.2
191.07027	18.5
191.10684	2.7
193.08571	7.4
209.08098	100.0
227.12721	9.2
228.12917	1.4
338.10156	7.3
353.15555	1.5
371.17093	4.5
389.17914	2.5
480.19098	1.4
489.16791	1.3
498.77496	1.6
586.20447	6.1
586.44269	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45131	2.7
55.01883	3.6
57.49771	2.4
67.05473	3.2
69.03428	4.3
70.06595	4.0
81.03421	16.8
81.07047	12.1
83.04969	3.5
93.07030	6.2
95.04999	3.5
95.08611	2.9
97.02867	4.1
99.04459	14.4
101.89610	2.9
105.07023	6.3
107.08594	26.6
109.02869	26.7
111.08099	2.9
121.06489	17.0
121.10123	14.2
127.03908	16.3
127.07610	3.3
131.24159	2.6
135.11705	10.6
145.10129	15.7
149.06012	5.1
149.09621	12.9
151.07506	3.4
163.09906	5.1
163.11156	70.8
167.10655	35.7
169.08574	100.0
173.09578	5.3
177.05553	3.8
181.12236	17.2
185.11769	5.2
191.10646	38.3
209.11728	26.1
227.12772	49.9
269.13855	4.5
292.09720	4.9
294.10950	4.2
310.44583	3.3
321.09842	19.9
322.10587	24.5
323.11481	18.8
332.09006	5.3
335.14868	13.5
336.12247	43.8
337.12640	61.0
338.13803	57.7
353.15985	39.7
371.16965	35.6
389.17960	43.9
402.64972	2.9
450.77127	3.1
542.19983	4.7
586.18567	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28182	0.8
53.23799	1.0
55.05509	1.5
58.71065	0.9
71.04987	5.1
71.17931	1.0
83.04992	16.3
84.34724	1.2
86.09710	100.0
93.03392	1.1
101.06031	15.3
106.82619	1.0
111.04440	6.7
121.02859	2.2
132.10201	65.5
139.03911	19.5
157.04887	6.7
162.77638	1.0
180.10173	1.7
182.53258	1.0
205.50343	1.0
214.29131	1.0
255.69196	1.0
257.10153	2.2
275.11212	7.9
293.12308	30.5
347.57379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45131	2.7
55.01883	3.6
57.49771	2.4
67.05473	3.2
69.03428	4.3
70.06595	4.0
81.03421	16.8
81.07047	12.1
83.04969	3.5
93.07030	6.2
95.04999	3.5
95.08611	2.9
97.02867	4.1
99.04459	14.4
101.89610	2.9
105.07023	6.3
107.08594	26.6
109.02869	26.7
111.08099	2.9
121.06489	17.0
121.10123	14.2
127.03908	16.3
127.07610	3.3
131.24159	2.6
135.11705	10.6
145.10129	15.7
149.06012	5.1
149.09621	12.9
151.07506	3.4
163.09906	5.1
163.11156	70.8
167.10655	35.7
169.08574	100.0
173.09578	5.3
177.05553	3.8
181.12236	17.2
185.11769	5.2
191.10646	38.3
209.11728	26.1
227.12772	49.9
269.13855	4.5
292.09720	4.9
294.10950	4.2
310.44583	3.3
321.09842	19.9
322.10587	24.5
323.11481	18.8
332.09006	5.3
335.14868	13.5
336.12247	43.8
337.12640	61.0
338.13803	57.7
353.15985	39.7
371.16965	35.6
389.17960	43.9
402.64972	2.9
450.77127	3.1
542.19983	4.7
586.18567	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47815	0.3
56.43436	0.3
69.67345	0.2
75.88735	0.3
81.07042	0.4
91.05437	0.4
101.65923	0.4
107.08532	0.4
139.99939	0.3
170.08142	0.4
175.06119	0.4
180.71019	0.3
290.08160	0.3
292.09650	9.2
295.60477	0.3
304.09622	1.4
306.07465	2.8
320.09128	10.4
321.09918	35.2
336.12265	100.0
337.12909	1.7
360.15530	0.5
564.54083	0.4
586.31519	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26431	0.2
74.35081	0.3
129.84122	0.3
292.09653	9.1
304.09698	1.6
306.07605	2.8
320.09155	9.8
321.06055	0.6
321.09930	30.1
336.12274	100.0
337.13055	0.6
553.61603	0.4
575.10120	0.3
586.31628	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92073	0.9
63.82694	0.8
66.30286	1.1
109.10160	10.0
121.06492	1.3
127.11194	4.5
135.11722	1.4
141.61450	1.2
147.77960	1.1
149.05989	6.0
153.12695	1.9
175.03918	7.5
177.05438	4.2
187.11166	2.3
189.09103	12.5
190.04980	1.0
193.04950	21.0
201.09085	2.4
203.10664	2.4
205.12257	1.3
207.06558	3.8
229.08450	3.5
231.10167	18.7
245.15271	1.1
249.11191	100.0
257.15372	2.4
269.15356	8.0
287.16382	7.9
292.09439	1.4
297.14783	4.1
304.06030	1.2
306.07449	1.1
315.15826	11.0
318.07379	2.3
319.08447	12.4
320.09119	14.7
322.10498	1.4
325.21527	1.7
326.10065	1.2
333.16870	4.5
334.10648	21.4
335.11139	1.9
336.12289	11.2
343.22641	5.1
346.46185	1.1
353.21121	1.7
366.09491	1.8
371.22153	16.8
389.23187	13.6
586.21149	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18213	1.9
57.07072	2.4
64.80618	1.7
67.05508	9.1
69.07059	3.1
77.15791	2.1
78.31737	1.7
81.07045	10.0
83.08596	2.2
85.02905	8.0
89.70773	2.0
91.05463	7.9
91.51694	2.0
93.07040	10.8
95.08612	11.0
105.01853	9.2
105.07020	10.5
107.08612	14.0
107.70713	2.0
109.09443	2.9
109.10159	61.6
119.08588	12.0
121.10142	16.2
123.11717	12.9
127.03917	7.0
131.08569	12.8
133.10150	28.7
135.11690	40.2
139.11159	2.2
139.65512	2.0
143.08487	3.9
145.10146	18.1
147.11685	39.8
149.13246	4.1
151.11182	18.7
155.08557	4.0
157.10086	9.1
159.02885	2.1
159.11674	16.6
161.13190	7.2
169.10080	3.9
171.11707	4.0
173.13275	11.0
183.11707	11.8
185.13261	13.6
187.13318	2.0
187.14781	19.3
189.12642	2.0
189.54681	1.8
196.19008	1.9
197.13251	11.4
199.14792	11.7
201.16389	8.4
211.14851	21.3
213.16324	4.7
224.15575	2.4
225.16426	11.6
227.17932	8.2
231.04930	3.7
239.17967	2.8
241.19496	4.6
249.06030	3.9
252.18623	3.0
255.21211	2.2
257.22687	2.5
267.21078	87.4
272.26019	2.1
284.09848	3.3
285.22122	100.0
292.09528	3.5
303.23187	62.3
306.49023	1.9
319.08270	3.1
320.09192	8.3
321.09918	15.3
334.10635	8.2
336.12289	47.1
337.12564	3.3
338.13937	2.8
350.10416	2.9
566.64337	2.1
586.23834	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	1.7
57.07090	1.1
58.94495	1.0
67.05505	4.4
69.03439	2.5
69.07064	1.8
70.27075	1.0
78.10006	1.0
79.05498	2.0
81.03445	1.6
81.07043	2.8
83.08620	2.2
85.02923	10.1
87.00831	1.2
91.05453	2.3
93.07045	7.1
95.08615	11.3
97.02840	1.3
105.01868	7.4
105.07024	9.7
107.08598	7.1
109.02888	2.3
109.10153	34.0
119.08572	7.8
121.06450	1.9
121.10149	13.2
123.11707	9.9
123.56174	1.5
127.03886	4.9
129.07024	1.1
131.08586	9.8
133.10152	18.3
135.11699	21.9
137.09581	1.3
143.08571	2.2
145.10129	10.4
147.11676	23.5
149.13271	1.6
151.11176	10.2
152.13991	1.2
155.08556	4.5
157.10123	4.5
159.11702	8.5
161.13321	5.1
163.11142	2.1
169.10143	5.8
171.11684	7.1
173.13295	6.5
174.35228	1.1
177.12758	1.2
183.11719	10.8
185.13289	9.7
187.14845	12.1
197.13335	9.3
199.14793	6.9
201.16371	2.5
211.14726	12.5
213.16389	1.7
224.15631	2.3
225.16391	7.9
227.17950	1.8
231.05005	2.8
241.19582	1.8
243.21115	1.3
249.06062	5.7
257.22684	1.7
267.21075	55.6
269.19104	2.1
270.19327	1.6
271.19351	1.6
284.09790	4.5
285.22131	62.7
290.08112	1.7
292.09839	8.2
300.25693	1.1
303.23203	34.9
306.07361	4.3
319.08408	1.5
320.09131	15.5
321.09964	30.3
322.10535	1.7
334.10684	7.8
336.12305	100.0
337.12717	2.7
338.13287	1.3
469.43195	1.4
500.93747	1.3
532.00244	1.3
552.07831	1.2
586.24530	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.2
57.07078	23.9
67.05515	64.4
69.07063	31.1
70.81470	4.0
71.04964	4.7
71.08637	5.0
73.53414	4.8
78.23404	4.9
79.05481	10.6
81.07066	59.7
83.04999	10.9
83.08629	20.5
84.97636	5.1
85.06538	11.3
88.07641	20.0
92.82087	4.3
93.07040	29.4
95.08617	71.1
97.06527	41.5
97.10156	7.9
107.08551	16.8
109.10162	38.4
111.08093	5.9
111.11710	4.8
119.08553	5.6
121.10145	27.6
123.11723	7.0
125.09644	6.6
133.10120	9.7
135.11679	59.5
141.09106	11.8
149.13295	8.7
153.12730	22.2
174.45872	5.6
242.24834	30.2
243.25188	19.7
251.20032	99.1
256.26263	6.1
269.21027	43.7
283.22668	61.1
290.26990	20.2
291.27161	10.9
301.23862	19.9
393.36682	6.2
478.07544	6.0
537.41180	21.3
586.52240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77816	0.4
71.57001	0.4
143.90944	0.5
248.91345	0.5
290.08102	7.1
302.08136	1.9
304.06027	6.5
309.18024	0.5
318.07593	8.9
319.08359	40.9
320.08997	0.7
325.46884	0.5
334.10703	100.0
335.11072	0.8
352.87424	0.5
403.30353	0.5
587.14343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.4
57.07058	1.2
58.03195	1.2
67.05499	5.2
69.07069	1.5
79.05505	3.1
81.07067	6.1
83.58122	1.3
91.05496	7.0
93.07038	2.9
95.08625	6.0
99.02699	1.3
101.04269	7.7
105.07033	5.7
107.08596	4.9
107.25824	1.5
109.10190	2.2
111.15137	1.3
119.04958	8.9
119.08573	4.8
121.10146	2.1
131.08578	6.7
133.10136	2.2
135.11684	2.0
143.05295	1.5
143.08533	1.5
145.10104	7.6
147.04404	13.3
147.08141	1.1
147.11691	5.0
149.09631	1.2
157.10162	2.6
159.11771	2.6
173.13264	6.4
175.03915	40.9
177.05479	1.5
179.88910	1.2
185.13240	1.7
187.14735	1.6
189.22253	1.3
191.14294	8.8
193.05026	2.1
197.13274	2.6
205.04973	100.0
253.19542	7.7
271.20639	2.2
287.18356	1.5
305.19308	5.6
320.09180	2.1
321.09457	5.0
347.20465	1.5
399.16522	1.4
504.48386	1.5
569.25580	14.9
587.32806	2.4
587.44623	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3192
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
50.09219	1.0
50.89556	1.2
51.23050	1.1
55.05516	2.1
57.03440	2.7
57.06826	1.9
57.07083	27.0
61.16221	1.1
67.05501	6.6
69.07074	3.4
71.08629	27.4
71.60843	1.3
81.03407	2.9
81.07057	10.3
83.08612	10.1
85.10161	11.8
93.07046	2.1
95.08608	20.4
97.10149	6.1
98.98476	28.1
109.10139	6.5
114.28844	1.5
123.11731	2.1
155.01019	23.8
174.54901	1.3
195.94063	1.4
228.78896	1.7
317.06244	2.1
327.28922	100.0
336.12289	2.8
337.12570	6.5
392.75049	2.0
407.25519	6.2
425.26672	2.2
427.98148	1.9
551.29852	6.4
569.30823	3.3
587.31860	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3576
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone
Peak:m/z	Relative Intensity
53.03949	6.3
53.65773	4.0
54.88491	4.3
55.05524	9.7
63.34798	4.3
64.26033	4.4
66.69339	4.3
67.05508	21.7
67.97836	4.5
68.74033	4.8
69.03432	10.6
69.07057	11.3
70.10399	4.4
70.79138	4.5
71.04994	5.2
73.02937	7.9
73.66824	4.3
78.43792	4.3
79.05499	18.1
79.16563	4.2
81.03423	28.7
81.07062	28.6
83.04948	5.3
85.02918	7.0
85.10148	4.2
91.05468	7.0
93.07027	22.4
95.08617	11.9
97.02874	5.2
99.04459	88.2
105.07043	11.8
107.08592	18.8
109.02884	12.1
109.10137	8.6
111.04435	11.8
117.07076	4.9
119.08575	28.3
119.21163	4.9
121.10152	5.9
127.03940	5.9
131.08546	23.1
133.10135	26.1
135.11684	4.7
141.05475	8.4
143.08540	7.8
145.10147	21.8
145.51151	4.8
145.92177	5.3
147.11722	8.6
149.13292	5.2
155.08522	5.4
157.10095	5.4
159.11644	23.7
169.10138	6.3
171.11613	6.2
185.13295	9.1
187.14861	5.4
201.16373	5.7
219.84793	5.0
336.11932	5.3
345.28064	8.4
478.91721	5.8
551.33313	8.5
569.34888	38.8
587.36060	100.0
587.45917	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38036	5.6
55.05516	11.2
56.51585	6.2
59.57693	5.4
67.05493	26.3
69.07079	12.3
71.01402	5.5
77.92370	6.0
79.05496	15.0
81.07069	32.4
83.08625	8.2
91.05473	16.4
93.07067	60.2
95.04974	7.4
95.08611	36.3
95.39804	6.4
105.07069	50.2
105.30369	6.1
105.57154	5.8
107.08582	56.0
109.10175	51.3
116.27462	7.3
117.07037	10.4
119.08578	72.3
121.06519	13.0
121.10143	100.0
125.09643	11.5
131.08533	26.0
133.10104	40.2
135.11665	27.2
137.05963	9.9
139.11171	15.3
142.07805	10.6
143.08514	28.3
145.10109	43.5
147.11691	13.5
150.32899	6.6
157.10092	28.9
159.08064	14.7
159.11665	27.3
169.10144	25.6
171.11713	11.2
173.13278	16.2
175.14841	9.6
183.11650	9.2
185.09576	6.7
185.13326	9.3
187.14749	8.6
199.14865	8.0
209.13168	10.3
211.14909	7.7
259.20615	8.9
265.17953	16.3
293.17392	33.1
352.64160	8.3
569.36621	33.4
587.36664	25.5
587.45374	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17862	6.3
55.01887	9.4
55.05504	33.2
56.82178	6.3
57.03438	6.2
57.07070	14.0
67.05508	87.0
69.07076	55.2
69.98544	6.6
79.05495	62.2
81.07059	79.6
83.04980	11.2
83.08620	26.9
83.59346	5.8
85.95744	5.7
89.12711	5.9
91.05463	48.0
91.13339	5.9
93.07050	65.1
94.61222	6.9
95.04960	13.6
95.08620	68.3
97.06503	23.1
97.10146	9.9
99.08118	10.1
105.07053	54.1
107.08585	76.2
109.06453	10.1
109.10146	56.1
111.04472	9.7
111.08051	9.5
113.05984	9.3
117.06971	11.8
119.08567	71.3
121.10159	51.4
123.08063	11.2
123.11710	11.1
125.09615	9.4
127.03958	9.7
129.06995	9.3
131.08572	44.6
133.10155	56.4
135.08078	11.4
135.11719	54.1
137.06000	41.3
139.03902	42.1
141.06976	7.9
143.08524	11.6
145.10121	50.2
147.11678	69.9
149.09723	9.4
149.13257	9.3
153.05504	23.4
157.10107	13.8
159.11681	38.7
161.13261	29.9
163.11182	12.1
169.10083	10.8
171.11668	15.0
173.13274	25.6
175.14764	26.1
177.12715	10.9
183.11592	8.5
185.13232	15.7
201.12750	7.6
201.16411	7.2
219.17484	12.1
241.19521	7.9
247.17035	8.4
257.15771	7.2
257.19089	11.4
259.20621	35.7
265.17966	73.3
275.20032	59.0
277.18341	9.3
277.21701	11.1
293.17429	100.0
311.18509	26.9
416.87216	7.5
551.37469	34.1
569.37817	55.5
587.38074	25.5
587.46381	30.0
597.11273	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82970	2.4
53.00327	3.0
55.05516	13.2
57.03442	5.1
57.07079	24.8
57.11776	2.5
60.72629	2.5
67.05518	33.6
69.07074	24.5
70.28237	2.5
71.05006	4.8
71.08630	14.1
79.05500	32.9
81.07063	51.7
83.04995	3.4
83.08618	15.3
85.10175	12.8
89.42544	3.2
91.05490	25.8
91.83753	3.6
93.07058	36.6
95.04988	6.6
95.08606	55.6
97.06535	4.8
97.10177	11.5
99.08070	3.4
105.07033	32.2
107.04961	4.9
107.08588	38.1
109.06515	3.7
109.10152	22.1
111.08130	3.5
114.45112	2.9
117.07036	14.1
119.08580	36.3
121.06535	3.6
121.10110	24.0
123.08086	4.1
123.11674	6.4
129.06979	4.7
131.08569	33.1
133.10101	25.7
135.11703	21.3
137.09636	4.6
143.07483	3.1
143.08583	12.1
145.10127	50.9
147.11678	29.1
147.12718	3.5
149.09663	4.6
155.08473	2.9
157.10117	7.3
159.11705	34.0
161.09596	3.6
161.13283	4.8
169.10202	5.8
170.13187	3.5
171.11714	6.6
173.13278	5.3
177.12718	3.8
179.14339	14.0
183.11740	7.2
185.13213	5.2
187.14896	3.9
197.13187	4.4
239.17960	7.1
257.19012	24.6
273.18314	4.8
275.20087	32.5
277.21616	17.8
291.19485	6.6
293.21152	4.2
313.27420	16.8
331.22717	20.1
358.59293	3.2
569.41833	5.3
587.46686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16795	1.3
51.98691	1.2
53.02934	1.2
55.01878	1.3
55.05523	10.7
57.03442	6.9
57.07082	28.8
61.43990	1.3
64.22288	1.3
67.05514	20.4
69.07063	12.8
71.05025	1.5
71.08634	23.3
79.05499	15.1
81.07059	31.9
83.05009	1.6
83.08598	13.2
85.06507	1.7
85.10173	11.2
89.32619	1.6
91.05460	15.3
93.07039	16.5
95.04963	3.6
95.08593	29.6
97.10191	8.3
105.07028	21.4
107.04886	1.7
107.08588	16.0
109.06519	3.6
109.10150	16.1
116.88601	1.5
117.06983	15.5
118.26452	1.5
119.08570	18.5
121.10150	9.4
121.68513	1.4
123.11758	1.8
125.09646	2.5
128.06258	1.8
129.06996	3.7
130.07910	1.6
131.08557	27.3
133.10117	17.5
135.11688	3.1
137.09622	2.3
141.06992	1.8
142.07826	1.9
143.08565	8.4
145.10127	45.5
147.11699	16.9
155.08583	2.2
157.10141	7.8
159.11667	27.5
159.12665	1.6
161.09663	6.4
161.13280	7.7
163.11107	1.5
163.14592	1.6
169.10165	7.3
171.11699	10.2
173.11922	1.5
173.13272	10.5
183.11737	9.1
185.13310	3.2
197.13278	2.8
211.14909	1.9
213.16287	1.7
216.10027	1.9
239.18011	9.0
257.19003	23.6
275.20197	6.5
277.21725	3.6
280.15079	2.0
291.19513	3.5
313.01810	1.6
313.27310	26.6
331.22592	13.2
371.85074	1.9
428.66360	1.8
506.75473	1.8
522.00812	1.8
568.26050	1.6
569.44897	8.3
587.46686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96808	0.4
56.68900	0.3
147.13782	0.4
153.05511	0.5
175.97058	0.4
191.07095	0.9
206.95190	0.4
210.33357	0.4
220.10695	0.5
290.08090	14.5
302.08182	4.9
304.05991	12.3
306.07355	0.4
318.07571	17.2
319.08359	57.2
320.09018	5.2
334.10703	100.0
335.11313	1.9
336.12201	2.4
338.13678	0.6
588.14423	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06123	0.5
67.47279	0.5
70.06593	1.5
97.02917	1.0
122.57598	0.6
136.06180	2.8
189.73927	0.6
271.54666	0.7
300.06641	1.4
302.08051	1.6
304.05945	1.6
305.06815	2.8
315.05139	1.5
316.06000	0.9
317.06754	1.2
318.04208	1.1
318.07623	13.6
327.84665	0.8
328.06119	1.2
330.07498	5.2
331.04825	1.3
331.08490	2.7
332.05469	10.4
332.09262	1.2
333.06253	9.1
334.07172	1.2
345.06262	0.9
347.07864	0.9
348.08640	100.0
350.10147	0.9
351.87607	0.8
352.08203	1.6
358.07175	4.4
360.04874	4.6
361.05768	15.5
376.08130	38.4
377.08936	4.4
390.09879	1.6
394.09186	14.0
408.10757	40.8
426.11801	82.3
475.68094	0.8
588.16956	27.4
588.24969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.6
81.03424	0.5
97.02885	0.5
108.72324	0.4
113.02377	1.0
117.03365	2.7
121.06505	9.6
127.03938	1.3
145.02844	20.0
177.05455	38.0
230.44844	0.5
230.85074	0.6
296.09048	5.0
307.08392	2.7
307.20798	0.5
307.69193	0.6
310.07071	27.2
314.13837	14.7
319.08456	2.8
320.08987	0.7
324.08621	1.2
325.09433	100.0
334.10757	5.5
335.11032	0.7
340.11789	76.1
343.38187	0.6
412.16049	4.5
544.18127	9.7
588.17047	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.6
81.03424	0.5
97.02885	0.5
108.72324	0.4
113.02377	1.0
117.03365	2.7
121.06505	9.6
127.03938	1.3
145.02844	20.0
177.05455	38.0
230.44844	0.5
230.85074	0.6
296.09048	5.0
307.08392	2.7
307.20798	0.5
307.69193	0.6
310.07071	27.2
314.13837	14.7
319.08456	2.8
320.08987	0.7
324.08621	1.2
325.09433	100.0
334.10757	5.5
335.11032	0.7
340.11789	76.1
343.38187	0.6
412.16049	4.5
544.18127	9.7
588.17047	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25161	0.3
53.36922	0.3
56.37382	0.3
61.02217	0.3
61.87108	0.3
76.12978	0.3
94.98407	0.4
136.27365	0.3
225.85938	0.4
290.08102	12.7
292.09897	0.4
302.08060	4.3
304.06030	12.3
306.07678	0.5
318.07593	18.3
319.08389	61.2
320.09189	5.3
321.09906	0.6
334.10724	100.0
335.11105	0.4
336.12262	1.9
459.13831	0.4
482.11917	0.6
483.12811	0.4
498.15546	0.7
588.17566	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15457	0.9
63.41918	0.8
68.92622	0.8
76.53472	1.0
90.82331	1.0
116.19165	0.9
156.29008	1.1
249.67738	1.1
292.09644	1.8
318.07681	3.9
319.08423	1.3
320.09158	43.9
321.09869	6.6
334.10693	7.5
336.12256	18.4
352.15277	1.2
440.11038	1.3
454.12903	13.1
455.13458	8.3
466.12598	4.0
468.10840	5.9
469.15149	4.9
470.15997	9.4
482.12399	9.5
483.13132	20.7
484.13840	1.2
498.15475	94.2
500.16406	1.5
542.14502	3.7
549.65265	1.3
557.16821	1.4
588.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13645	1.6
51.33197	1.5
74.03309	1.5
92.48158	1.7
105.03933	2.0
125.62955	1.8
126.59721	1.9
132.94241	1.9
137.84180	1.8
251.01956	1.8
290.26965	3.3
316.26410	1.8
320.09125	15.3
336.12482	1.9
358.06836	2.3
385.05844	7.6
386.10556	3.0
399.07489	7.7
400.08115	40.4
411.07578	3.2
418.09149	11.3
428.07608	3.9
440.07611	4.0
442.09430	2.5
454.09207	25.2
463.14468	3.0
466.09216	3.3
476.11652	3.0
491.13712	7.2
506.16043	11.2
508.17282	3.9
516.14636	2.9
519.12476	2.4
534.15326	23.3
552.16565	31.0
570.17645	77.7
588.18689	100.0
588.28314	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15457	0.9
63.41918	0.8
68.92622	0.8
76.53472	1.0
90.82331	1.0
116.19165	0.9
156.29008	1.1
249.67738	1.1
292.09644	1.8
318.07681	3.9
319.08423	1.3
320.09158	43.9
321.09869	6.6
334.10693	7.5
336.12256	18.4
352.15277	1.2
440.11038	1.3
454.12903	13.1
455.13458	8.3
466.12598	4.0
468.10840	5.9
469.15149	4.9
470.15997	9.4
482.12399	9.5
483.13132	20.7
484.13840	1.2
498.15475	94.2
500.16406	1.5
542.14502	3.7
549.65265	1.3
557.16821	1.4
588.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67932	1.0
57.54549	1.2
77.27521	1.2
122.36909	1.2
249.35634	1.3
278.07956	1.4
290.08115	12.1
302.08221	2.2
304.06039	9.4
318.07584	18.0
319.08380	71.0
320.09079	8.3
334.10715	100.0
336.12271	8.5
422.14020	4.7
438.12976	1.5
460.14520	1.4
588.20197	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67932	1.0
57.54549	1.2
77.27521	1.2
122.36909	1.2
249.35634	1.3
278.07956	1.4
290.08115	12.1
302.08221	2.2
304.06039	9.4
318.07584	18.0
319.08380	71.0
320.09079	8.3
334.10715	100.0
336.12271	8.5
422.14020	4.7
438.12976	1.5
460.14520	1.4
588.20197	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07679	0.5
61.69171	0.5
69.03410	2.5
69.74844	0.5
73.02879	0.6
80.31555	0.5
81.03400	1.3
85.02905	8.4
89.03913	1.1
92.20998	0.8
97.02846	2.7
109.02856	1.1
113.02328	3.6
117.03389	7.0
121.06508	24.1
127.03911	4.4
138.09042	2.5
145.02852	44.5
149.05922	1.2
177.05469	100.0
296.09067	1.7
307.08255	0.6
308.08838	0.7
310.03754	0.8
310.07056	15.4
314.13837	42.9
319.08179	2.3
320.09149	0.7
325.09439	45.9
334.10791	4.6
340.11792	38.8
356.67090	0.6
412.15988	10.1
461.56070	0.6
524.21899	0.6
544.18262	6.1
570.18640	0.7
577.14990	0.6
588.16870	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74044	0.5
66.76262	0.5
85.02882	0.6
89.05135	0.5
104.84496	0.5
107.04939	0.8
121.06381	0.5
131.04907	0.5
135.05908	0.5
149.05907	0.9
151.07457	0.6
152.04678	17.4
156.66252	0.5
161.05992	6.4
161.09610	0.9
163.07515	2.7
167.07025	13.7
177.05467	1.0
178.04994	0.6
181.08601	0.8
189.09099	7.2
191.06978	1.2
207.10133	5.1
209.08092	0.6
212.07187	0.6
217.08563	8.6
229.14407	0.6
230.08022	1.0
240.06445	1.1
241.07312	100.0
242.08131	10.7
254.08147	2.6
324.12152	2.4
361.16348	7.1
408.14429	44.9
426.15524	12.3
570.19495	9.5
588.20599	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
74.94143	0.7
80.33858	0.7
109.33805	0.8
154.53662	0.7
273.97208	0.9
290.08154	12.9
302.08127	1.3
304.06094	11.0
318.07587	13.9
319.08368	59.5
320.08981	2.8
334.10693	100.0
335.11044	1.1
336.12195	1.6
346.98541	0.8
371.46225	0.9
454.12805	1.1
460.59583	0.8
588.22577	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17293	0.5
52.92903	0.5
60.86383	0.5
69.03439	1.2
139.11197	0.8
150.30989	0.6
173.04732	2.3
174.05580	3.5
188.03415	4.3
260.66833	0.7
290.08231	4.4
304.06158	3.5
309.09576	0.6
318.07614	5.2
318.11038	0.7
319.08389	28.9
319.11914	1.1
330.11414	0.9
334.10739	100.0
336.12540	0.9
344.09338	0.8
360.12430	1.0
372.08765	1.1
374.10074	4.1
390.09753	0.8
404.11368	2.6
411.14856	0.7
440.11456	1.0
508.21298	1.1
526.22333	3.0
570.20978	4.0
588.22351	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16931	1.7
73.14533	1.6
86.18941	1.7
87.43803	1.7
88.91258	1.8
90.05531	2.1
151.86377	2.0
175.03915	8.4
207.06577	11.8
216.60255	2.0
220.11859	7.5
275.77200	1.8
276.05966	2.2
290.08151	7.8
292.09735	2.7
304.06107	9.8
318.07587	11.0
319.08374	62.6
320.09155	99.1
334.10703	100.0
335.10962	2.8
588.22461	37.0
619.02087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83539	0.3
54.65091	0.4
55.29761	0.3
56.22200	0.4
87.48252	0.4
88.36810	0.4
92.33002	0.4
99.04342	0.7
155.98242	0.4
173.04646	0.9
174.05324	2.0
178.97908	0.4
188.03413	6.9
265.50656	0.5
290.08176	4.6
294.18842	0.5
302.08170	0.7
304.06000	3.8
318.07593	6.3
319.08386	35.8
320.09149	9.4
328.09515	0.7
330.11182	1.7
334.10718	100.0
336.12195	2.8
346.10846	0.8
360.12280	0.9
372.08664	0.8
374.09967	4.9
390.09601	0.9
404.11246	1.0
454.13220	0.5
468.08884	0.5
483.13495	0.5
498.15628	1.7
570.21362	0.8
588.22516	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
74.94143	0.7
80.33858	0.7
109.33805	0.8
154.53662	0.7
273.97208	0.9
290.08154	12.9
302.08127	1.3
304.06094	11.0
318.07587	13.9
319.08368	59.5
320.08981	2.8
334.10693	100.0
335.11044	1.1
336.12195	1.6
346.98541	0.8
371.46225	0.9
454.12805	1.1
460.59583	0.8
588.22577	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39948	0.1
75.28413	0.2
89.95881	0.2
99.04454	3.0
102.34834	0.2
114.29701	0.2
133.82449	0.2
209.04462	0.3
290.08188	0.4
292.09631	3.1
318.07651	0.5
320.09161	100.0
320.79147	0.2
321.09763	0.2
334.10678	0.3
336.12262	1.4
338.13693	0.3
588.13489	0.3
588.21954	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39948	0.1
75.28413	0.2
89.95881	0.2
99.04454	3.0
102.34834	0.2
114.29701	0.2
133.82449	0.2
209.04462	0.3
290.08188	0.4
292.09631	3.1
318.07651	0.5
320.09161	100.0
320.79147	0.2
321.09763	0.2
334.10678	0.3
336.12262	1.4
338.13693	0.3
588.13489	0.3
588.21954	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25993	0.2
56.57246	0.1
64.19836	0.1
81.03409	0.2
81.07034	0.2
85.02899	0.3
87.04057	0.2
88.80370	0.1
95.08562	0.2
109.10167	0.3
112.10324	0.2
119.08550	0.3
121.10112	0.2
127.03893	0.3
145.10109	0.2
158.06117	0.2
162.45201	0.2
233.93188	0.2
268.21246	0.2
285.22308	0.3
286.22369	0.7
290.08029	0.3
292.09659	3.9
318.07562	0.3
319.08377	0.2
320.09177	100.0
321.09900	1.0
322.24548	0.2
336.12244	3.4
534.27515	0.2
588.22485	5.4
588.30383	0.5
589.72015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04441	0.6
53.13284	0.6
59.23827	0.5
59.46492	0.5
66.27849	0.6
69.03421	0.9
70.06590	0.8
81.03414	2.5
85.02897	4.1
91.05470	1.1
97.02882	1.0
103.03987	0.6
109.02885	1.4
117.03351	1.6
119.04963	3.0
121.06528	0.8
127.03915	1.0
129.61952	0.6
132.85892	0.6
133.02834	7.5
137.05997	6.6
145.02863	18.9
147.04416	9.7
149.05977	5.5
150.06741	2.8
151.03961	1.4
151.07472	0.7
153.05472	2.8
154.46443	0.7
161.05948	4.1
162.06737	1.6
164.07095	0.9
164.39665	0.7
165.05470	2.8
175.03926	10.3
177.05461	100.0
179.07008	2.8
187.06007	0.7
201.05458	13.2
219.06664	0.7
233.06030	2.5
255.10210	0.9
261.05310	0.8
277.08511	1.5
281.08105	0.7
283.09293	0.8
292.07089	1.1
293.08078	1.1
304.06021	0.9
305.07870	3.0
307.09586	1.6
318.07559	3.7
325.10794	12.5
332.05548	2.5
333.06253	1.6
337.10645	2.9
339.10883	4.7
348.08676	28.6
349.09644	0.8
355.11838	5.7
357.11743	1.2
361.05774	3.7
376.08139	11.7
377.08682	0.8
392.39209	0.7
394.09195	4.4
408.10828	13.1
426.11816	26.8
487.16229	5.4
505.17087	16.1
517.16809	3.0
535.18219	5.5
588.16364	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04441	0.6
53.13284	0.6
59.23827	0.5
59.46492	0.5
66.27849	0.6
69.03421	0.9
70.06590	0.8
81.03414	2.5
85.02897	4.1
91.05470	1.1
97.02882	1.0
103.03987	0.6
109.02885	1.4
117.03351	1.6
119.04963	3.0
121.06528	0.8
127.03915	1.0
129.61952	0.6
132.85892	0.6
133.02834	7.5
137.05997	6.6
145.02863	18.9
147.04416	9.7
149.05977	5.5
150.06741	2.8
151.03961	1.4
151.07472	0.7
153.05472	2.8
154.46443	0.7
161.05948	4.1
162.06737	1.6
164.07095	0.9
164.39665	0.7
165.05470	2.8
175.03926	10.3
177.05461	100.0
179.07008	2.8
187.06007	0.7
201.05458	13.2
219.06664	0.7
233.06030	2.5
255.10210	0.9
261.05310	0.8
277.08511	1.5
281.08105	0.7
283.09293	0.8
292.07089	1.1
293.08078	1.1
304.06021	0.9
305.07870	3.0
307.09586	1.6
318.07559	3.7
325.10794	12.5
332.05548	2.5
333.06253	1.6
337.10645	2.9
339.10883	4.7
348.08676	28.6
349.09644	0.8
355.11838	5.7
357.11743	1.2
361.05774	3.7
376.08139	11.7
377.08682	0.8
392.39209	0.7
394.09195	4.4
408.10828	13.1
426.11816	26.8
487.16229	5.4
505.17087	16.1
517.16809	3.0
535.18219	5.5
588.16364	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46180	0.6
65.32336	0.5
71.32991	0.5
73.35905	0.7
171.93047	0.6
184.07210	0.9
190.05035	2.6
223.13261	0.7
292.09531	2.6
318.07709	1.3
319.08511	2.7
320.09180	100.0
321.09213	2.3
334.10645	7.3
335.11057	3.0
336.12091	7.5
416.31226	0.7
588.25879	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15182	0.3
53.27402	0.3
53.58075	0.4
61.65359	0.4
64.67529	0.4
71.04591	0.4
71.45705	0.4
79.64233	0.4
92.23698	0.5
100.57729	0.5
102.39697	0.4
112.94052	0.4
117.49586	0.5
136.96173	0.4
138.34436	0.5
176.07002	0.6
211.08714	0.5
245.08922	0.5
292.09647	1.0
320.09158	100.0
321.09549	2.4
322.09912	2.1
336.12088	3.7
455.27518	0.5
588.25842	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
91.16100	0.4
181.35019	0.5
292.09607	2.9
296.40424	0.5
320.09167	100.0
321.09799	0.8
336.12341	2.8
392.90585	0.5
447.25104	0.5
558.15942	0.9
558.82733	0.6
588.25940	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85611	0.3
67.28671	0.3
71.61292	0.3
96.97179	0.4
176.06961	0.6
219.03581	0.3
263.53830	0.4
292.09668	2.4
318.07971	0.4
320.09164	100.0
321.09570	1.6
322.09903	0.5
336.12375	2.3
342.30573	0.4
567.91571	0.4
588.25867	42.1
601.79407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73670	1.0
55.01865	1.9
70.06551	1.3
74.75245	1.0
77.44315	1.1
81.03422	1.5
85.02907	1.7
91.05487	2.1
97.02852	1.2
99.04432	1.6
103.05485	1.9
105.07078	8.3
105.88170	1.1
105.88908	1.2
107.04939	5.6
107.93854	1.2
119.04951	2.3
120.04441	5.3
121.06532	1.9
125.04763	1.2
131.04967	9.5
133.02866	7.6
133.06509	14.4
135.08070	1.5
137.06009	8.8
147.04459	10.7
149.06003	1.4
150.06755	6.8
151.07515	8.7
155.03311	1.2
163.07533	11.1
165.05411	2.4
165.09114	13.0
166.05013	2.3
167.06978	14.2
175.01149	1.2
177.05460	1.5
179.07004	7.0
191.06987	1.5
193.08592	97.8
211.09647	100.0
229.14319	2.4
312.12277	1.3
313.12894	2.4
328.15338	15.6
361.16431	5.5
386.84912	1.3
552.18567	6.4
570.19586	8.4
588.24023	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03380	2.0
69.03411	3.8
85.02911	8.9
91.05490	2.1
99.04431	2.3
103.05478	2.3
105.06992	2.1
107.04951	11.9
109.02885	2.3
121.06504	3.6
127.03937	2.6
131.04900	8.3
133.06482	9.8
137.05968	11.6
139.97963	2.0
149.05989	11.1
151.07500	3.6
152.04716	16.7
161.05962	45.2
161.09581	10.6
163.07527	29.9
165.09175	2.9
167.07048	35.3
173.05928	2.3
177.05460	10.4
177.09108	3.6
179.06996	8.3
180.07809	11.9
181.08598	12.1
189.09103	46.5
191.07007	8.6
192.07651	2.8
193.08545	2.9
207.06490	2.7
207.10168	27.8
209.08131	8.2
217.08560	15.6
241.07317	100.0
242.08086	4.5
293.10367	2.5
309.09875	3.7
324.12375	27.6
341.12357	3.4
353.12134	2.8
361.16388	55.8
371.13504	2.9
389.53131	2.3
408.14526	36.8
426.15460	10.5
562.03619	2.5
570.19568	8.8
588.21350	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84977	0.3
52.11543	0.3
53.70724	0.3
77.53304	0.4
81.06976	0.4
84.28561	0.3
91.25061	0.4
103.23721	0.5
137.11356	0.4
141.22826	0.4
262.80515	0.4
292.09641	7.5
304.09738	0.9
306.07581	2.7
320.09180	11.3
321.09946	32.7
334.10571	0.5
336.12286	100.0
337.12677	0.8
588.29614	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20707	0.2
54.27235	0.2
144.66699	0.3
262.27512	0.3
290.08084	0.3
292.09589	1.6
318.07742	0.3
319.08502	0.3
320.09177	100.0
334.10706	1.5
336.12143	0.3
388.15338	0.4
536.28339	0.3
588.29510	37.4
590.13110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29937	0.6
58.06612	62.0
59.70493	0.7
62.58751	0.9
69.16230	0.8
89.09585	0.8
91.92551	0.9
93.07044	1.0
131.08592	0.9
136.04225	1.0
139.43315	0.9
143.08559	1.3
145.10048	0.9
149.06017	0.9
157.10101	1.5
159.11707	1.8
169.10130	1.1
182.25056	0.8
183.11653	2.2
187.11166	1.3
188.03423	2.1
191.08568	1.9
201.12712	4.2
209.09622	1.1
218.68541	0.9
222.06560	1.0
229.12251	5.0
237.09096	9.7
265.08597	35.0
279.10162	1.7
281.95932	1.0
282.08823	12.7
290.08121	8.0
292.86099	0.9
296.10468	1.1
297.11273	28.5
299.12842	1.9
302.08139	1.8
304.06067	7.3
318.07651	11.8
319.08395	47.6
320.09134	11.5
334.10751	77.1
336.12451	7.1
342.16888	6.8
420.12225	1.3
422.13867	3.6
504.52197	1.0
588.20197	49.4
588.29370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42097	0.2
50.54857	0.2
51.91470	0.2
59.04972	0.2
59.82151	0.2
68.35077	0.2
81.90509	0.3
97.21890	0.3
111.53774	0.3
140.20694	0.3
289.32031	0.3
292.09647	2.5
303.34290	0.3
320.09158	100.0
359.79703	0.3
392.79666	0.3
414.38690	0.3
488.20850	0.5
588.29529	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20707	0.2
54.27235	0.2
144.66699	0.3
262.27512	0.3
290.08084	0.3
292.09589	1.6
318.07742	0.3
319.08502	0.3
320.09177	100.0
334.10706	1.5
336.12143	0.3
388.15338	0.4
536.28339	0.3
588.29510	37.4
590.13110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11348	0.2
70.15783	0.2
74.00106	0.2
86.11711	0.2
107.06028	0.2
123.23543	0.3
207.91533	0.2
242.14172	0.3
273.14569	0.3
289.18393	0.3
290.07956	0.3
290.26801	0.3
292.09698	2.9
318.07870	0.3
320.09158	100.0
370.25244	0.3
538.73462	0.3
587.14740	0.3
588.29541	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
83.83074	0.3
93.07053	0.4
99.04382	0.5
105.06981	0.5
107.08544	0.4
119.08454	0.3
119.29913	0.3
126.38686	0.3
132.96519	0.3
230.66780	0.3
232.58745	0.4
274.02432	0.4
292.09683	8.2
304.09619	1.4
306.07571	1.6
319.08231	0.4
320.09125	9.8
321.09930	28.1
334.10635	1.5
336.12274	100.0
588.29541	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35124	0.2
55.64285	0.2
81.07046	0.3
99.04407	0.4
134.45595	0.2
164.35654	0.3
180.99043	0.2
184.99931	0.2
290.26947	0.4
292.09695	2.0
293.21082	0.5
296.77930	0.2
318.07764	0.3
320.09174	100.0
449.18686	0.3
464.66992	0.3
588.29572	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22131	0.4
55.73485	0.4
55.91940	0.3
63.93498	0.3
67.76072	0.3
81.07021	0.4
85.06487	0.4
85.84200	0.4
109.42416	0.4
155.80298	0.4
267.66336	0.6
292.09650	7.8
304.09567	0.9
306.07599	2.1
315.59885	0.4
320.09164	10.3
321.09943	32.4
334.10739	0.6
336.12286	100.0
365.67313	0.5
588.29559	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78265	0.8
58.06611	54.3
63.68316	0.8
69.87978	0.7
73.02943	3.3
80.35324	0.8
81.03436	1.1
93.07027	1.3
99.04452	15.8
107.08643	0.8
121.06552	1.0
127.03927	3.3
131.08614	1.5
132.65390	1.1
135.11658	1.1
140.53090	1.0
159.08121	1.0
159.11720	1.3
163.11214	5.6
181.10042	1.5
183.11763	4.5
184.07426	1.4
187.11296	3.6
201.12767	1.4
209.09673	1.2
222.06766	1.0
227.12865	6.2
228.90443	0.9
229.12309	4.6
237.09052	7.9
243.08685	5.6
265.08585	32.1
265.11447	1.2
269.11716	1.1
279.10181	1.3
282.06122	1.2
282.08908	10.0
297.11227	24.5
319.08591	4.0
320.09238	5.9
321.09946	1.5
322.10504	1.4
334.10837	8.5
336.12219	6.8
341.16162	1.4
342.16962	1.7
433.19144	1.5
440.93164	0.9
451.19693	1.1
588.29675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24549	1.0
53.03958	2.6
58.06607	16.4
69.03458	5.9
69.07057	1.2
73.02919	35.8
77.11584	1.0
80.19617	1.0
81.03422	8.9
81.07075	3.1
85.02916	4.9
87.04535	1.7
93.07043	1.9
95.08620	8.9
97.02888	11.3
99.04454	100.0
104.07602	1.4
104.08360	1.3
107.08630	5.9
109.02906	8.0
119.08647	1.7
121.06522	1.4
121.10154	2.2
127.03905	15.9
135.11702	20.0
139.74562	1.2
141.05505	5.2
145.05029	2.1
145.10095	10.1
163.11182	34.1
171.06612	1.6
181.12245	8.4
184.07309	2.0
225.07559	10.5
227.12766	41.1
227.14903	1.8
237.09209	1.8
243.08617	42.6
265.08630	10.5
282.09082	2.0
297.11295	9.8
319.08435	7.5
320.09186	8.3
321.09888	2.7
325.16437	1.9
334.10770	12.5
335.14828	1.9
336.12250	11.2
433.18573	9.6
451.19418	14.1
469.20685	5.9
556.23779	1.5
559.83533	1.3
588.30499	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07141	0.4
51.30190	0.4
57.07076	1.2
65.90233	0.4
67.05495	0.7
69.07060	0.6
72.87260	0.5
78.03481	0.5
79.28680	0.5
83.08627	0.8
95.08621	0.6
103.05451	0.5
109.10146	0.7
115.05452	2.2
131.04904	2.8
132.08086	2.0
143.04932	5.3
149.06003	4.8
160.07535	7.3
161.05994	8.6
163.06288	0.6
173.24226	0.4
178.08630	100.0
196.09673	1.0
308.09198	2.6
313.27426	5.7
319.23865	0.5
320.09155	6.9
321.09961	0.7
322.10455	0.5
328.08173	0.6
336.12286	3.4
538.26282	0.6
570.32581	0.6
588.33032	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.5
55.05520	4.8
69.03429	32.9
69.05230	3.9
69.07076	5.3
71.05001	5.2
71.85587	4.1
74.12154	3.6
81.03421	20.3
81.07053	28.3
83.08623	7.7
85.02908	99.7
87.00827	41.8
93.07057	18.6
95.08614	32.0
97.02887	31.0
97.10157	7.9
99.04446	23.0
105.01904	46.7
105.07027	6.7
106.63196	3.7
107.08594	29.8
109.02879	28.9
109.06520	5.3
109.10150	32.1
119.08570	63.4
121.10126	33.4
123.11716	15.2
124.48199	3.8
127.03924	61.6
129.01863	4.0
131.08562	6.7
133.10143	34.0
135.08025	4.8
135.11714	29.3
137.13269	9.2
145.04921	8.0
145.10118	50.7
147.11693	29.9
149.09619	5.0
149.13251	17.3
152.73259	3.6
157.10153	7.1
159.02875	7.6
159.11696	62.1
161.13254	27.0
163.11157	15.2
163.14865	9.2
169.68655	4.2
171.11671	14.1
173.13258	24.0
175.14821	16.6
177.12808	5.0
177.16406	19.3
185.13216	19.2
186.31895	4.7
187.14801	100.0
189.16347	76.2
199.14738	15.1
201.16411	22.4
203.17940	5.4
205.15906	65.3
207.17422	8.8
213.16406	19.6
215.17967	6.1
217.15773	5.0
219.17410	9.6
223.16925	29.0
227.17987	7.2
231.05089	16.6
269.22598	67.1
287.23715	85.8
305.24844	30.1
319.08322	4.1
321.09894	6.2
322.10291	6.9
334.10809	9.9
336.12277	27.0
374.06229	4.4
435.19971	5.7
453.21365	5.2
517.27924	8.6
535.29138	8.7
588.69788	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01889	0.5
55.05519	1.0
57.03440	0.9
67.05509	4.1
69.03427	3.1
69.07063	1.3
69.12830	0.5
71.04987	1.0
71.61916	0.6
73.02924	5.2
79.05495	3.5
81.03421	5.4
81.07057	5.6
83.04974	0.6
83.08614	1.0
85.02903	3.4
85.66120	0.5
87.04520	0.6
91.05473	4.3
93.07030	4.2
95.04950	0.9
95.08578	2.1
97.02866	2.0
97.06515	0.6
99.04453	25.8
105.07035	3.2
107.05001	0.6
107.08580	2.7
109.02895	2.4
109.06520	0.8
109.10149	1.1
111.04489	0.8
117.07007	1.3
119.08601	1.9
121.06506	1.0
121.10108	2.4
125.09660	0.7
127.03933	4.4
129.06996	1.0
131.08571	1.2
133.10092	2.6
135.11700	1.2
141.05476	0.8
143.08566	0.7
145.06482	0.8
145.10144	1.3
147.11703	0.7
149.09642	0.6
149.13292	0.7
152.01796	0.5
152.53496	0.6
157.06432	0.7
159.11688	0.9
161.09642	0.7
169.10106	0.5
171.11636	0.6
173.05885	0.7
173.13187	0.8
235.16925	0.6
243.08591	5.3
275.20013	2.5
292.09811	4.7
299.80301	0.5
303.15817	0.7
304.09595	1.0
306.07620	2.3
319.08307	0.6
320.09113	8.1
321.09964	25.6
334.10782	2.5
336.12286	100.0
419.20090	0.8
437.21634	1.2
459.23471	0.9
469.68134	0.6
477.24646	0.8
481.25696	0.9
499.26175	0.9
517.28210	0.9
588.29822	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
56.38696	4.1
60.95356	4.3
61.55923	3.7
67.05492	17.8
67.92773	4.1
69.03434	24.8
69.07082	7.9
70.27364	4.4
73.02927	8.4
74.28642	4.0
81.03420	8.9
81.07076	41.8
83.73726	4.4
85.02910	48.4
87.00822	17.6
91.05482	6.9
93.07043	29.3
95.08080	4.2
95.08611	39.2
95.09121	3.8
97.02899	10.9
99.04460	24.3
105.01854	24.6
105.07044	20.9
107.08595	54.0
109.02892	24.8
109.10164	43.2
119.08584	18.2
121.10129	38.5
123.11705	20.7
125.09566	7.0
127.03926	39.7
131.08553	11.3
133.10123	23.3
135.11708	45.9
139.11142	4.5
145.04938	6.3
145.10133	19.1
147.11656	40.3
149.13258	37.2
157.10220	6.0
159.02914	6.8
159.11684	19.1
161.13268	25.5
163.14815	25.5
165.12794	6.7
171.11650	8.3
173.13229	22.8
175.14812	9.5
177.12717	5.8
187.14908	17.1
191.14296	7.9
199.14771	11.1
201.16451	4.9
210.86203	5.0
213.16364	10.2
218.08806	5.6
220.18419	5.1
229.19630	5.5
269.22635	64.6
275.23615	5.7
287.23654	61.6
290.08249	5.5
305.24734	54.6
306.07657	7.3
319.08371	24.3
320.09131	24.6
321.09961	25.5
321.24362	5.6
322.10352	6.1
323.25766	10.7
334.10672	44.9
335.11569	8.6
336.12283	100.0
337.12796	11.1
338.13644	18.8
481.31165	5.0
507.42233	5.5
535.28796	47.3
553.29504	9.7
581.78314	5.6
588.19183	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.5
56.17602	0.9
56.96045	0.8
57.07072	1.9
57.89061	0.8
62.53854	0.9
63.68919	0.9
67.05507	6.6
69.03432	5.6
69.07076	2.3
70.06604	7.8
71.08624	2.1
76.55203	0.8
79.05504	7.2
81.03419	5.6
81.07070	7.5
86.06071	20.1
86.09734	1.4
88.10317	0.9
91.05494	5.7
93.07050	6.7
95.04975	1.9
95.08614	9.4
96.04488	2.2
97.02876	4.0
98.06056	41.8
99.04453	1.1
101.78449	1.0
104.06963	1.0
105.07041	2.3
107.08604	4.1
109.02872	10.9
109.10172	2.0
110.06066	2.1
110.09715	1.2
110.10477	1.2
111.04441	1.2
117.06996	1.9
119.08578	5.8
121.10128	4.6
124.07569	5.8
125.02392	4.5
126.05518	6.8
127.03927	4.8
131.08615	3.6
133.10133	2.5
135.11734	1.8
138.09145	23.0
138.10097	1.5
143.08511	1.0
144.65263	0.9
145.10101	2.3
147.11678	1.6
149.13184	0.9
150.13527	1.0
151.11137	1.1
152.07068	1.3
159.11676	1.2
161.13295	1.2
166.08653	4.1
171.17624	1.0
176.07091	1.4
178.08630	16.9
182.08200	3.9
194.08134	100.0
212.09166	3.7
218.59483	1.1
267.21118	1.1
272.61481	1.2
275.20074	1.7
276.20425	1.9
384.88531	1.0
552.32678	1.3
570.34125	7.6
570.45148	1.7
588.47229	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
64.33956	1.9
67.05504	19.6
69.07059	9.1
70.35400	1.8
76.48257	2.4
79.05491	8.3
81.07067	17.8
81.08050	2.0
83.08617	2.9
84.08144	3.2
91.05479	4.9
92.30383	2.1
93.07024	9.3
93.19321	1.8
95.08556	15.6
105.07021	4.4
107.08576	11.3
109.10176	3.7
119.08576	4.7
121.10114	4.4
123.50594	2.5
133.10101	3.5
135.11681	3.4
141.85426	2.3
145.10062	2.3
222.94263	2.1
232.28690	2.3
294.24228	11.5
296.36615	2.4
448.32858	2.4
551.42694	2.7
588.37103	4.1
588.46234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83724	0.4
55.17302	0.4
59.73261	0.4
74.44317	0.4
85.02880	0.5
88.91373	0.5
99.04382	3.3
105.17515	0.5
110.12223	0.6
110.34535	0.4
135.71240	0.6
322.09552	1.1
324.11099	4.6
349.11749	1.9
351.13446	4.0
365.11469	3.8
367.12866	4.2
426.14365	1.9
427.14999	100.0
589.20288	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02507	0.3
53.11448	0.5
54.39216	0.4
60.12792	0.4
60.62840	0.5
63.87181	0.4
69.63168	0.4
75.34611	0.5
85.02876	0.4
97.02876	0.5
145.02844	1.0
147.04453	0.8
163.03952	0.8
175.03780	0.6
177.05476	6.6
178.05780	3.1
192.92235	0.5
201.05565	0.6
287.36365	0.5
302.47922	0.4
322.09604	3.2
324.11011	4.1
326.10818	0.6
349.12119	0.8
351.13376	3.1
365.11243	5.4
367.12915	6.7
392.66370	0.5
427.14990	100.0
488.16400	0.6
506.17505	0.8
589.20245	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57808	0.1
165.03812	0.2
190.70380	0.2
266.91275	0.2
288.08890	0.8
306.09885	0.8
321.08820	0.2
322.09454	1.6
324.11017	4.0
337.11676	0.4
349.11911	1.8
350.12915	0.3
351.13422	3.9
365.11279	5.5
367.12888	5.3
383.16098	0.3
394.11603	0.2
409.14072	0.6
411.12164	0.3
426.14044	0.8
426.26025	0.2
427.15002	100.0
589.20300	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46677	0.4
71.04134	0.5
91.58929	0.5
125.14775	0.5
278.08179	0.8
295.62738	0.6
306.07639	0.8
307.08386	13.4
307.11612	0.8
308.09171	0.6
320.09137	8.5
321.09732	2.5
322.10132	1.1
334.10629	6.8
335.11472	13.7
336.12387	4.2
362.10413	6.2
372.12152	0.7
374.13956	2.5
388.11807	1.3
389.12711	0.7
390.13309	1.1
400.12012	2.3
403.10529	13.1
416.11121	1.1
418.12851	41.7
425.09152	0.8
426.09879	2.4
442.09479	0.7
458.12433	1.1
460.13989	3.4
468.10898	1.1
471.09460	3.2
486.11832	34.9
498.11746	4.6
546.15747	1.2
574.14990	2.5
590.18103	100.0
590.26404	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
69.03436	4.9
70.06611	1.1
76.18849	0.6
81.03428	3.3
85.02449	0.7
85.02892	5.7
97.02891	2.9
99.04446	3.0
109.02872	4.5
119.04938	0.9
121.06508	1.2
127.03943	5.0
145.02858	0.9
147.04405	3.7
150.06786	1.3
150.52231	0.7
151.07552	9.8
163.06245	0.9
165.09081	6.0
175.07626	1.1
176.07072	3.2
177.05453	6.5
178.08623	100.0
192.10257	3.7
220.09793	1.3
232.51512	0.8
286.12125	0.8
340.15320	5.3
342.16992	62.6
382.15079	0.9
546.23431	15.9
572.21625	1.0
590.22235	67.9
619.62402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76550	0.2
53.24928	0.2
53.29544	0.1
55.82596	0.1
55.93597	0.1
61.84158	0.2
78.06178	0.2
79.66222	0.1
80.39753	0.2
85.02940	0.2
91.28532	0.2
102.97071	0.2
109.81647	0.2
116.58729	0.2
118.71123	0.2
122.02823	0.2
123.81842	0.2
262.08682	0.2
290.08148	0.2
292.09677	4.9
318.07663	0.7
319.08411	0.4
320.09177	100.0
321.09586	0.3
322.10498	0.3
334.10651	1.4
336.08762	0.2
336.12198	1.6
386.76215	0.2
428.10373	0.2
500.16229	0.3
590.23645	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76550	0.2
53.24928	0.2
53.29544	0.1
55.82596	0.1
55.93597	0.1
61.84158	0.2
78.06178	0.2
79.66222	0.1
80.39753	0.2
85.02940	0.2
91.28532	0.2
102.97071	0.2
109.81647	0.2
116.58729	0.2
118.71123	0.2
122.02823	0.2
123.81842	0.2
262.08682	0.2
290.08148	0.2
292.09677	4.9
318.07663	0.7
319.08411	0.4
320.09177	100.0
321.09586	0.3
322.10498	0.3
334.10651	1.4
336.08762	0.2
336.12198	1.6
386.76215	0.2
428.10373	0.2
500.16229	0.3
590.23645	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57820	0.3
56.05287	0.3
74.55538	0.3
99.04372	0.4
109.10146	0.6
109.66938	0.4
137.68474	0.4
145.78278	0.4
165.65297	0.4
172.70995	0.5
290.08084	8.3
290.10941	0.6
291.87976	0.4
292.09958	0.6
302.08133	2.0
304.06003	8.4
318.07605	11.4
319.08380	49.7
320.08957	0.7
321.09824	1.7
334.10712	100.0
336.12238	4.4
337.12485	0.6
384.74860	0.5
500.16623	0.6
590.23871	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21830	0.5
54.59304	0.4
58.83599	0.3
75.73200	0.5
88.77117	0.5
102.32388	0.5
139.05768	0.5
183.90723	0.5
225.16582	0.5
292.09552	3.9
320.09177	100.0
321.09726	2.7
322.10577	0.8
336.12271	6.7
590.24072	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67271	0.5
57.73753	0.5
67.30009	0.6
73.07707	0.6
92.21503	0.9
113.84772	0.6
146.42499	0.7
256.22928	0.6
264.26321	0.8
278.08423	0.7
290.08255	1.1
292.09558	2.6
304.05978	0.9
306.07690	0.9
308.12817	15.6
318.07159	0.8
319.08173	5.3
320.09219	36.9
320.12729	3.4
321.09778	1.5
322.10757	7.5
334.10706	11.3
336.12305	24.3
337.13077	30.3
352.15436	100.0
404.97708	0.7
458.94827	0.8
504.26559	0.9
546.27271	2.8
555.09631	0.9
590.24634	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88441	0.4
69.40128	0.4
71.63905	0.5
77.90683	0.5
94.84899	0.4
103.69789	0.5
145.90147	0.5
171.82146	0.7
217.22124	0.5
292.09555	3.8
320.09171	100.0
321.09732	5.6
324.12378	0.7
334.10745	2.3
336.08624	0.8
336.12292	15.3
340.35526	0.6
352.15399	0.7
590.23700	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67271	0.5
57.73753	0.5
67.30009	0.6
73.07707	0.6
92.21503	0.9
113.84772	0.6
146.42499	0.7
256.22928	0.6
264.26321	0.8
278.08423	0.7
290.08255	1.1
292.09558	2.6
304.05978	0.9
306.07690	0.9
308.12817	15.6
318.07159	0.8
319.08173	5.3
320.09219	36.9
320.12729	3.4
321.09778	1.5
322.10757	7.5
334.10706	11.3
336.12305	24.3
337.13077	30.3
352.15436	100.0
404.97708	0.7
458.94827	0.8
504.26559	0.9
546.27271	2.8
555.09631	0.9
590.24634	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83041	0.1
61.40339	0.1
65.03929	0.1
69.03415	0.3
80.81377	0.2
81.03401	0.3
85.02923	1.1
91.05464	1.4
108.00891	0.1
109.02881	0.2
109.64107	0.1
119.04941	6.7
125.47920	0.2
127.03896	0.3
143.10667	0.2
143.23888	0.1
147.04407	100.0
165.05464	2.5
231.10107	0.9
249.11198	1.5
309.09665	7.4
309.13190	0.4
453.13806	0.3
459.46072	0.2
471.14752	0.9
496.60123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54456	0.2
64.95074	0.2
69.03416	1.0
81.03435	2.3
85.02903	1.5
91.05459	1.0
97.02888	0.4
99.04462	0.7
109.02873	2.2
118.98356	0.2
119.04156	0.3
119.04936	3.8
121.06563	0.2
121.49570	0.2
127.03912	1.1
147.04405	100.0
151.07552	0.8
165.05440	3.1
177.05414	1.3
178.07076	0.2
178.08627	6.0
192.10287	0.3
231.10193	0.2
231.46356	0.2
242.07701	0.4
291.08621	5.3
309.09668	13.1
327.10587	0.2
342.16959	4.0
392.53070	0.2
471.08566	0.3
471.14984	6.2
511.21640	0.2
546.23676	0.8
590.22192	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72179	0.1
69.03417	0.2
69.98381	0.1
81.03412	0.4
85.02897	0.3
88.49049	0.1
91.05478	1.3
96.83122	0.1
97.02899	0.2
117.14906	0.1
119.04932	6.4
119.05741	0.3
119.39581	0.1
127.03949	0.2
128.90073	0.1
142.72992	0.1
147.04404	100.0
165.05472	2.9
184.20044	0.1
213.09128	0.3
231.10184	0.4
249.11191	1.1
288.41263	0.2
291.08551	0.6
309.09689	6.2
324.71744	0.2
363.12698	0.2
393.15338	0.2
411.16589	0.4
453.13687	0.2
471.14618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83041	0.1
61.40339	0.1
65.03929	0.1
69.03415	0.3
80.81377	0.2
81.03401	0.3
85.02923	1.1
91.05464	1.4
108.00891	0.1
109.02881	0.2
109.64107	0.1
119.04941	6.7
125.47920	0.2
127.03896	0.3
143.10667	0.2
143.23888	0.1
147.04407	100.0
165.05464	2.5
231.10107	0.9
249.11198	1.5
309.09665	7.4
309.13190	0.4
453.13806	0.3
459.46072	0.2
471.14752	0.9
496.60123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76549	0.5
81.07050	0.8
93.28997	0.5
119.08543	0.6
146.73894	0.6
181.62234	0.6
199.47043	0.6
224.73659	0.6
241.71405	0.6
258.77133	0.6
292.09674	9.2
294.11060	0.7
304.09659	1.3
306.07617	2.1
320.09195	18.5
321.09933	31.1
322.10535	0.9
323.11334	5.7
334.10568	0.8
336.12274	100.0
337.12662	2.3
338.13828	11.1
382.96143	0.6
572.25842	3.7
590.27319	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61238	1.6
58.06630	1.6
61.79363	1.7
67.05476	1.9
73.02898	2.3
75.28590	1.8
81.07059	3.1
88.23104	1.7
92.20946	3.8
99.04427	18.7
119.08553	3.4
121.10154	3.1
131.04921	3.7
147.11711	3.7
149.05965	16.3
160.89326	2.1
161.05980	4.2
174.05525	3.4
176.07069	88.4
177.74373	1.8
178.08659	8.8
181.08694	2.6
243.08820	2.6
307.08496	3.1
316.02332	2.4
319.08368	11.0
320.05746	3.9
320.09140	37.5
321.06134	3.3
321.09686	7.6
322.10706	45.0
334.10800	18.7
336.09052	16.5
336.12073	18.3
349.18170	2.4
435.19812	2.9
453.21301	2.8
454.33023	2.0
572.26190	2.5
590.17688	4.8
590.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22628	0.5
52.99154	0.6
53.58898	0.6
55.05499	0.6
79.05480	0.7
81.07029	1.0
104.71944	0.7
105.07040	0.7
119.08550	1.2
177.35147	0.7
191.21632	0.8
240.25601	0.7
292.09735	7.0
294.11292	1.4
304.09589	0.9
304.17319	0.7
306.07431	2.8
306.10718	1.1
320.09192	40.9
321.09906	32.2
322.10571	4.0
323.11505	8.9
334.10538	1.7
336.12286	100.0
337.12546	3.0
338.09943	1.4
338.13837	29.5
572.26300	4.4
590.27240	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.8
55.05494	1.2
56.82875	1.1
67.05523	1.6
72.76460	1.0
73.02915	17.1
73.59634	0.9
73.99496	0.9
74.20043	1.1
74.70451	0.9
81.03409	8.0
81.07068	6.3
85.02912	4.6
87.04487	1.4
91.28248	1.3
91.78713	1.0
95.08591	2.1
97.02904	4.8
99.04451	63.4
107.08631	2.1
109.02885	4.7
111.04429	6.9
119.08590	2.3
121.06445	1.9
127.03928	6.7
135.08081	1.2
135.11679	1.2
137.05981	43.2
147.11699	7.1
149.09636	1.5
154.76579	1.3
156.20197	1.2
157.86511	1.3
161.09599	1.8
165.09074	1.4
175.11197	2.4
176.07013	1.4
203.18192	2.0
213.16476	1.3
225.07574	1.3
231.17419	6.7
243.08621	25.2
249.18369	1.6
277.17978	21.3
292.09668	8.4
295.19016	4.9
306.07654	1.7
307.08298	1.9
320.09106	10.9
321.09933	30.3
322.10501	4.0
334.10681	1.2
336.12271	100.0
337.12952	2.0
338.13669	2.1
352.15491	2.6
385.19800	2.0
393.22620	1.7
403.21005	1.9
501.24567	8.8
519.26227	10.0
537.26758	7.8
590.27307	39.1
592.77783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46576	0.3
57.07044	1.6
63.27205	0.3
66.54221	0.4
67.05476	0.4
70.49117	0.3
71.08615	0.8
72.71072	0.3
73.26642	0.3
81.06995	1.7
83.08627	0.4
85.10147	0.5
88.11176	0.4
90.79507	0.4
92.90048	0.4
93.07019	0.7
93.35242	0.4
95.08578	0.8
98.82719	0.3
105.06982	0.9
105.08361	0.4
107.08550	0.6
112.28435	0.4
116.34903	0.4
118.88907	0.4
119.08514	0.9
121.10093	0.7
133.10112	0.9
135.11647	0.5
151.01839	0.4
160.11902	0.5
259.20499	0.8
260.21014	0.4
278.08099	0.4
292.09653	8.0
304.09784	0.8
306.07596	2.6
313.27252	1.4
314.27704	0.8
320.09161	9.9
321.09949	31.8
334.07065	0.7
334.24594	0.9
336.12286	100.0
338.13602	0.5
375.35086	0.4
384.47961	0.4
459.24777	0.4
472.62921	0.4
551.18903	0.4
572.47235	0.5
590.34753	52.7
590.49365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62706	0.8
51.17730	0.8
52.47591	0.7
53.03956	7.5
55.05517	0.9
57.07084	11.9
57.27180	0.8
60.57175	0.8
67.05497	6.2
68.67676	0.9
69.03429	5.0
69.07071	6.9
71.04980	2.0
71.08636	11.2
71.73168	0.8
73.02918	20.1
79.05502	1.6
81.03423	13.1
81.07059	6.2
83.08614	1.8
85.02894	5.4
85.10183	6.8
87.04461	3.8
95.08611	12.3
96.63350	0.9
97.02892	18.9
97.10162	2.3
99.04456	100.0
109.02889	12.5
109.10157	6.2
111.11721	1.5
117.77409	1.0
123.11674	1.7
127.03902	15.6
141.05455	1.9
145.04959	3.9
207.06633	1.2
210.02182	0.9
211.20560	5.3
225.07500	7.0
243.08606	18.7
327.25171	1.3
435.27286	1.7
453.28476	21.0
471.29373	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23396	2.3
51.58087	2.3
57.07077	27.0
62.41623	2.8
67.05524	3.8
69.07078	5.4
71.08635	54.6
79.05478	3.0
81.07050	4.6
83.08644	3.4
85.10190	28.4
87.04475	14.2
89.06033	100.0
91.05495	4.6
93.07070	5.1
95.08627	6.5
101.36250	2.3
106.29280	2.8
109.10158	4.1
119.08553	3.4
121.06516	38.0
121.10129	4.9
133.08627	47.0
135.08038	3.8
147.08035	12.5
149.09615	5.9
163.11107	4.3
165.09113	10.6
177.11234	10.8
180.13855	3.2
230.88078	3.0
247.20589	23.5
279.47522	3.2
291.23242	19.2
321.09866	4.5
323.18317	3.1
336.12262	32.2
345.65872	2.8
447.25864	14.2
452.10767	3.2
492.37146	3.3
549.25073	4.4
573.40033	83.1
590.17950	6.3
590.34473	13.9
590.42590	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85270	0.5
94.93014	44.0
136.94029	0.8
150.91928	2.5
162.91203	0.5
202.89098	0.7
206.88596	24.0
247.63768	0.5
248.89636	100.0
266.82251	0.5
528.88525	0.5
591.00952	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.4
72.08148	0.3
74.73836	0.3
91.05452	0.4
93.07066	0.4
99.04456	0.5
107.08658	0.3
109.10172	0.4
117.10741	0.4
134.65866	0.4
175.03864	1.7
191.92743	0.4
207.06593	1.4
270.05353	2.0
285.07562	100.0
292.09723	0.6
319.08295	0.6
320.08945	1.9
321.09756	2.4
322.10376	1.7
334.10709	1.8
335.10995	1.7
336.12289	6.2
337.12494	4.5
338.13715	0.6
367.44128	0.4
447.12912	10.3
573.16162	5.2
591.16138	7.9
591.24512	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38818	0.3
53.10560	0.2
53.74846	0.3
61.42677	0.3
90.53190	0.2
99.04442	1.4
103.98254	0.3
132.82881	0.4
155.35399	0.3
167.82550	0.3
179.28465	0.3
203.82532	0.4
235.21977	0.3
270.05331	1.5
285.07578	100.0
321.09799	0.5
323.11505	0.4
336.12402	3.1
337.12698	1.9
429.11630	0.4
447.12842	5.3
475.12134	1.1
591.17010	17.8
591.25342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43603	0.8
57.92264	0.8
68.05028	1.4
69.03401	2.3
81.03416	11.1
83.04989	1.3
84.04504	8.3
85.02905	5.8
96.04488	1.9
97.02890	16.0
98.06100	0.9
100.60823	1.0
109.02907	1.3
111.04440	5.0
114.05544	7.0
116.36526	0.9
119.28603	1.1
120.88438	0.9
121.06498	100.0
122.05975	1.2
127.03905	1.6
130.04999	13.9
134.06053	1.7
136.07590	1.7
138.09174	7.5
142.04991	2.3
147.60260	0.9
148.07565	2.2
150.09119	2.0
162.05507	8.2
164.07050	5.4
176.07034	2.3
180.06482	2.2
192.06549	4.6
194.08148	7.6
204.10121	1.5
206.11761	4.1
208.06041	33.8
208.07994	1.1
210.07689	1.6
212.09181	1.8
226.07108	1.9
238.07043	6.7
250.10704	8.6
256.07935	1.3
267.13464	1.4
296.85184	1.0
300.14389	2.1
315.77411	1.0
334.23413	1.0
345.14301	1.8
368.16861	3.9
375.15756	1.5
393.16443	1.4
410.46393	1.0
412.15967	6.8
429.18530	1.3
433.00333	1.2
507.19717	11.9
537.20715	2.3
555.21924	22.4
571.18616	1.2
573.22845	23.9
586.09540	1.2
591.23950	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43603	0.8
57.92264	0.8
68.05028	1.4
69.03401	2.3
81.03416	11.1
83.04989	1.3
84.04504	8.3
85.02905	5.8
96.04488	1.9
97.02890	16.0
98.06100	0.9
100.60823	1.0
109.02907	1.3
111.04440	5.0
114.05544	7.0
116.36526	0.9
119.28603	1.1
120.88438	0.9
121.06498	100.0
122.05975	1.2
127.03905	1.6
130.04999	13.9
134.06053	1.7
136.07590	1.7
138.09174	7.5
142.04991	2.3
147.60260	0.9
148.07565	2.2
150.09119	2.0
162.05507	8.2
164.07050	5.4
176.07034	2.3
180.06482	2.2
192.06549	4.6
194.08148	7.6
204.10121	1.5
206.11761	4.1
208.06041	33.8
208.07994	1.1
210.07689	1.6
212.09181	1.8
226.07108	1.9
238.07043	6.7
250.10704	8.6
256.07935	1.3
267.13464	1.4
296.85184	1.0
300.14389	2.1
315.77411	1.0
334.23413	1.0
345.14301	1.8
368.16861	3.9
375.15756	1.5
393.16443	1.4
410.46393	1.0
412.15967	6.8
429.18530	1.3
433.00333	1.2
507.19717	11.9
537.20715	2.3
555.21924	22.4
571.18616	1.2
573.22845	23.9
586.09540	1.2
591.23950	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.5
57.03429	1.0
58.45350	0.9
59.07090	1.1
59.90047	0.9
69.03416	1.7
71.04981	1.0
73.02935	1.2
76.72202	1.0
79.59452	1.1
81.03424	12.4
84.31832	1.2
85.02921	8.9
91.05481	1.5
97.02885	5.3
99.04459	100.0
109.02888	1.7
111.04459	1.3
117.05495	5.3
131.04901	1.3
137.05980	22.3
149.05995	4.1
151.03915	1.8
151.07584	18.1
157.06528	2.2
161.06017	5.9
163.07549	6.8
175.07578	5.2
177.09091	1.8
186.98891	1.1
189.09134	9.8
195.08054	4.6
201.09091	1.3
203.07098	1.6
209.08061	1.3
221.09636	1.6
223.07581	1.8
227.10670	7.5
241.81725	1.2
253.08525	4.9
253.12300	1.8
255.10027	5.1
255.76248	1.1
256.31787	1.2
267.10211	1.8
285.11322	2.6
287.12689	7.4
309.11267	5.1
313.14352	6.5
320.09564	1.3
331.15402	31.6
341.13782	2.1
343.15433	9.3
367.15335	1.7
379.15567	1.4
397.16443	2.5
421.16464	6.7
439.17282	4.0
471.10608	1.3
475.19104	2.1
501.83481	1.2
530.82935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2601
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
58.02732	0.8
59.45285	0.7
69.07051	0.8
81.07081	1.0
83.08569	0.7
114.29604	0.8
123.94890	0.8
184.23857	0.8
192.80942	1.0
194.79057	0.9
249.65195	0.8
266.56964	0.9
288.00311	0.8
328.27780	0.9
336.12317	1.1
337.12958	1.3
444.23340	1.0
459.25897	1.5
461.23236	0.9
472.22723	1.4
473.23267	4.4
474.80844	0.9
476.21790	1.7
477.23080	4.0
485.23788	1.4
487.25034	3.7
488.25937	1.0
490.23984	1.3
503.19974	6.2
531.23932	21.5
532.24323	3.2
562.21936	1.8
591.26031	100.0
591.34271	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48076	0.5
107.41290	0.5
176.01953	0.5
189.76762	0.6
205.00464	0.5
364.12418	0.6
394.13113	0.7
444.23209	1.1
445.24228	1.1
448.26294	1.1
458.24704	1.0
459.21008	1.1
459.26120	1.1
463.17590	0.6
472.22635	2.8
473.23358	8.4
474.23944	4.5
475.25156	1.3
485.23322	2.8
486.24133	1.0
487.24954	32.4
489.22989	3.3
503.24185	3.3
514.37659	0.6
515.24475	1.4
531.23914	25.5
532.24780	9.1
563.26862	0.7
591.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2603
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.48076	0.5
107.41290	0.5
176.01953	0.5
189.76762	0.6
205.00464	0.5
364.12418	0.6
394.13113	0.7
444.23209	1.1
445.24228	1.1
448.26294	1.1
458.24704	1.0
459.21008	1.1
459.26120	1.1
463.17590	0.6
472.22635	2.8
473.23358	8.4
474.23944	4.5
475.25156	1.3
485.23322	2.8
486.24133	1.0
487.24954	32.4
489.22989	3.3
503.24185	3.3
514.37659	0.6
515.24475	1.4
531.23914	25.5
532.24780	9.1
563.26862	0.7
591.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77547	1.3
62.52399	1.3
63.41263	1.5
67.60081	1.3
107.90894	1.6
108.75602	1.7
129.90402	1.7
161.52452	1.7
231.77394	1.7
293.17459	2.4
297.14481	2.0
322.52206	1.9
591.42346	100.0
591.51849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21507	1.8
56.77776	2.0
57.07068	3.1
58.23966	1.9
62.08155	2.1
67.04704	1.9
67.05502	5.6
73.99791	2.5
81.07059	30.2
88.44377	2.1
93.07037	5.6
95.08582	5.3
105.07057	3.4
107.04968	5.1
107.08593	4.0
108.37034	2.4
109.10130	4.7
113.37204	2.3
122.67621	2.5
133.10147	4.0
135.11705	3.6
147.11668	4.6
157.10127	3.4
323.46683	2.5
335.45618	2.4
336.12155	3.2
337.12714	3.1
411.36206	100.0
493.38556	3.1
522.93365	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04294	1.5
57.06829	2.5
57.07088	55.1
60.04530	2.9
67.05508	19.0
69.07058	2.3
71.04968	1.6
73.71442	1.6
79.05459	2.7
81.07066	20.0
83.08634	2.4
85.08461	1.6
91.05464	3.1
93.07059	6.2
95.08622	12.3
97.10176	2.5
107.08591	8.1
109.10178	24.5
111.08049	1.9
119.08606	7.0
121.10184	2.7
123.11708	3.3
127.11192	45.1
135.11720	15.8
137.09630	3.4
138.09113	2.5
138.95628	1.6
153.12758	8.9
156.00693	1.9
163.54674	2.0
169.12245	24.8
181.63780	2.2
218.39192	1.6
239.05536	1.6
254.50229	1.6
261.22046	3.5
266.59872	1.7
279.23203	19.8
296.25848	100.0
353.95215	1.9
429.33960	9.8
537.10052	1.9
591.39264	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16663	3.2
51.00697	3.5
51.34449	3.2
55.01875	4.6
60.88559	4.2
67.05506	23.8
69.07069	17.0
81.07058	25.4
83.08629	7.0
93.07034	16.7
95.08611	17.0
99.10869	4.8
107.08591	7.5
109.10152	10.3
135.08029	5.3
135.11707	20.0
151.40427	4.5
153.12750	34.2
155.50407	4.8
161.13181	5.0
185.66719	4.8
251.23770	4.7
279.23187	21.8
296.25812	100.0
438.68784	5.4
591.43646	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1601
Annotation	achromobactin free acid
Peak:m/z	Relative Intensity
56.52472	0.8
79.86179	0.9
84.02946	0.9
89.05997	1.2
101.45774	1.0
106.94379	1.0
121.06450	1.5
136.06155	1.8
182.03807	1.2
221.93578	1.0
292.09433	1.5
307.08212	5.3
308.09018	1.4
319.08344	1.7
320.08896	5.8
321.10031	10.9
322.10635	1.2
332.08911	1.4
334.10449	4.7
335.11267	4.6
336.12228	9.7
347.07596	1.3
348.08643	62.6
392.07266	6.2
398.10083	1.2
403.10382	1.7
414.09641	15.1
416.10733	3.7
418.07751	1.4
418.13437	11.9
442.09195	74.8
444.11032	8.3
445.11206	1.7
458.12811	1.1
470.08099	5.4
475.13257	1.4
483.08957	1.8
484.15384	1.5
500.14059	1.2
502.16837	2.2
503.12943	3.6
503.20132	1.0
518.15869	11.4
528.13672	6.5
531.12573	5.6
546.15472	45.3
556.12695	1.2
574.14880	100.0
592.15619	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08359	1.2
57.12718	1.1
62.38316	1.1
79.05487	1.9
81.07092	1.9
83.24364	1.2
91.05465	7.3
100.75385	1.5
103.33027	1.3
107.04932	2.3
109.06519	14.2
128.07060	1.4
133.02872	6.9
135.04382	2.4
136.05231	9.8
136.06128	1.4
137.05975	33.5
151.07590	6.5
160.05202	1.6
161.05965	1.6
165.05473	25.4
167.07028	35.9
175.07587	1.4
179.06996	6.7
190.04985	57.1
190.06635	2.4
191.07042	7.5
193.04997	11.3
197.08083	29.6
203.07013	3.0
207.06546	6.3
209.04485	2.3
231.06590	1.5
235.07533	2.2
248.08469	1.5
251.07137	1.8
264.07800	5.4
275.06924	1.6
277.05176	2.2
283.09799	5.0
291.06583	3.2
292.07260	10.0
293.08011	5.5
295.09567	2.6
306.07910	9.0
307.09335	9.5
308.09341	6.9
309.07416	1.7
311.09204	3.0
315.08679	2.1
320.09335	2.9
321.10025	2.9
322.10818	5.7
323.09137	2.5
325.10672	1.8
326.11511	6.0
327.08997	2.1
328.09390	7.2
334.07220	11.4
334.10733	4.0
335.09006	7.5
336.08710	3.3
336.12320	11.1
337.07193	2.7
341.14185	2.3
343.11743	8.9
349.09537	2.9
350.10245	6.1
355.11786	1.9
357.13538	2.0
364.08102	8.8
367.11722	6.5
378.09860	2.8
385.12589	17.7
403.14023	7.1
531.92950	1.4
574.16626	15.0
592.18085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08604	0.6
59.91985	0.6
63.09805	0.6
79.21023	0.7
91.05483	1.7
92.21513	1.8
95.04976	0.9
105.07005	0.8
109.06531	5.0
110.27970	0.8
123.04409	0.8
133.02895	1.4
137.05991	19.4
153.05502	0.8
157.22588	0.8
161.06032	1.1
163.03961	1.0
165.05447	13.0
167.07050	6.0
179.07065	1.7
189.04233	4.6
190.04993	33.5
191.07114	1.2
193.04984	15.4
197.08138	4.7
203.07129	4.3
205.05038	1.8
207.06529	1.5
209.04475	6.7
232.06079	1.8
251.07300	1.0
263.07196	1.1
279.10239	0.9
291.06516	1.8
292.07349	4.7
292.10068	1.6
293.08084	1.4
295.09595	1.7
300.09787	0.8
307.09717	5.9
311.09229	1.3
315.08554	1.4
320.09192	100.0
321.07697	3.6
323.09143	1.2
324.09869	1.1
335.09106	1.8
336.09564	3.5
337.06860	1.1
342.11121	1.3
352.09656	1.6
567.85657	0.9
592.18152	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08604	0.6
59.91985	0.6
63.09805	0.6
79.21023	0.7
91.05483	1.7
92.21513	1.8
95.04976	0.9
105.07005	0.8
109.06531	5.0
110.27970	0.8
123.04409	0.8
133.02895	1.4
137.05991	19.4
153.05502	0.8
157.22588	0.8
161.06032	1.1
163.03961	1.0
165.05447	13.0
167.07050	6.0
179.07065	1.7
189.04233	4.6
190.04993	33.5
191.07114	1.2
193.04984	15.4
197.08138	4.7
203.07129	4.3
205.05038	1.8
207.06529	1.5
209.04475	6.7
232.06079	1.8
251.07300	1.0
263.07196	1.1
279.10239	0.9
291.06516	1.8
292.07349	4.7
292.10068	1.6
293.08084	1.4
295.09595	1.7
300.09787	0.8
307.09717	5.9
311.09229	1.3
315.08554	1.4
320.09192	100.0
321.07697	3.6
323.09143	1.2
324.09869	1.1
335.09106	1.8
336.09564	3.5
337.06860	1.1
342.11121	1.3
352.09656	1.6
567.85657	0.9
592.18152	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08604	0.6
59.91985	0.6
63.09805	0.6
79.21023	0.7
91.05483	1.7
92.21513	1.8
95.04976	0.9
105.07005	0.8
109.06531	5.0
110.27970	0.8
123.04409	0.8
133.02895	1.4
137.05991	19.4
153.05502	0.8
157.22588	0.8
161.06032	1.1
163.03961	1.0
165.05447	13.0
167.07050	6.0
179.07065	1.7
189.04233	4.6
190.04993	33.5
191.07114	1.2
193.04984	15.4
197.08138	4.7
203.07129	4.3
205.05038	1.8
207.06529	1.5
209.04475	6.7
232.06079	1.8
251.07300	1.0
263.07196	1.1
279.10239	0.9
291.06516	1.8
292.07349	4.7
292.10068	1.6
293.08084	1.4
295.09595	1.7
300.09787	0.8
307.09717	5.9
311.09229	1.3
315.08554	1.4
320.09192	100.0
321.07697	3.6
323.09143	1.2
324.09869	1.1
335.09106	1.8
336.09564	3.5
337.06860	1.1
342.11121	1.3
352.09656	1.6
567.85657	0.9
592.18152	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26752	0.7
57.44495	0.7
66.23023	0.8
86.09721	1.0
147.34636	0.9
164.30258	1.0
171.38011	0.8
184.07413	6.9
193.60490	0.9
232.70998	0.9
263.79385	0.9
309.09937	8.1
318.07727	1.2
319.08377	1.0
320.09024	8.1
321.09497	1.5
322.10489	1.7
323.11481	1.3
334.10870	4.7
336.12216	8.5
337.13098	11.4
342.47910	1.0
364.11880	5.1
392.14990	1.3
402.13486	1.8
405.12039	15.7
420.14417	37.7
428.11121	1.1
444.10855	1.2
460.13596	1.4
473.11099	5.7
488.13458	38.1
500.12695	2.1
576.16199	1.9
592.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91475	0.4
56.79998	0.5
74.25245	0.5
95.82463	0.5
115.21896	0.5
177.58401	0.6
307.08298	7.4
308.09283	1.2
331.33319	0.6
334.10541	6.4
335.07629	1.1
335.11484	15.1
362.10178	4.6
372.12164	0.5
374.13953	2.8
390.13522	1.1
392.14716	0.8
400.11792	2.1
403.10468	8.4
404.60565	0.5
418.12851	54.5
444.10535	4.3
445.11475	7.9
460.14203	3.9
486.12103	1.2
546.19434	0.8
558.15271	2.0
559.16254	7.9
560.17285	0.9
574.19104	6.7
592.19653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69000	0.6
58.06606	0.7
69.03433	3.5
70.06572	0.9
74.94232	0.7
81.03426	1.7
85.02913	4.4
87.00838	1.1
97.02869	2.7
99.04415	0.8
104.25776	0.7
109.02885	4.0
118.99369	0.9
119.04918	1.1
122.29712	0.7
123.04470	0.8
127.03934	5.0
135.04439	3.8
137.06010	3.1
145.04977	0.9
151.07547	10.1
163.03925	1.7
175.03903	1.2
175.43330	0.9
176.07028	1.1
177.05632	0.8
180.10199	7.2
190.08646	48.7
191.09435	18.3
192.10233	8.3
207.06610	4.1
208.09715	18.2
208.11507	1.3
235.07478	1.1
241.08702	1.1
249.09125	1.5
253.08640	1.0
263.07083	1.6
277.08502	7.5
285.11337	3.2
295.09628	4.6
310.10803	1.1
311.11447	1.6
313.10733	4.0
326.13910	12.3
344.14911	57.5
358.11090	6.2
412.13971	0.9
430.13858	1.1
479.93555	0.8
548.21820	7.5
592.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39881	0.2
63.72541	0.2
65.22450	0.2
73.97179	0.2
78.79440	0.2
89.03637	0.2
89.12521	0.2
109.06518	0.6
110.22877	0.2
135.04459	0.3
137.05966	2.9
151.19731	0.2
156.68892	0.3
165.05475	1.9
167.07042	0.5
179.07057	0.3
190.04991	5.7
193.05017	2.3
197.08115	0.6
203.07208	0.2
207.06470	0.6
209.04443	1.0
231.06693	0.2
232.06013	0.3
248.00752	0.3
259.80090	0.2
263.07022	0.4
279.09964	0.3
290.08374	0.4
291.06461	0.5
292.07346	0.5
292.09799	3.8
293.08014	0.3
307.09525	1.1
318.07678	1.0
319.08582	1.7
320.09174	100.0
323.08936	0.3
324.10007	0.3
334.10861	2.5
335.08780	0.4
336.12445	0.7
348.11670	0.3
357.09509	0.3
358.96802	0.2
367.11371	0.4
592.18091	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36161	0.2
60.93874	0.2
69.46391	0.2
86.05319	0.2
89.36997	0.2
132.57886	0.3
134.48541	0.3
137.05971	1.6
161.60381	0.2
164.66130	0.3
165.05484	1.1
190.05029	3.1
193.04948	1.5
203.07011	0.3
209.04570	0.3
283.09595	0.5
284.09964	1.2
286.07956	0.3
292.09720	3.4
307.09531	0.4
318.07510	0.5
320.09167	100.0
321.09866	1.6
334.10800	0.5
336.12299	16.2
418.34155	0.3
592.17645	8.2
596.48236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36161	0.2
60.93874	0.2
69.46391	0.2
86.05319	0.2
89.36997	0.2
132.57886	0.3
134.48541	0.3
137.05971	1.6
161.60381	0.2
164.66130	0.3
165.05484	1.1
190.05029	3.1
193.04948	1.5
203.07011	0.3
209.04570	0.3
283.09595	0.5
284.09964	1.2
286.07956	0.3
292.09720	3.4
307.09531	0.4
318.07510	0.5
320.09167	100.0
321.09866	1.6
334.10800	0.5
336.12299	16.2
418.34155	0.3
592.17645	8.2
596.48236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95075	0.3
59.88173	0.3
65.89230	0.3
72.41994	0.3
86.82023	0.3
116.05763	0.4
116.41467	0.3
133.02937	0.4
137.05983	3.8
147.31918	0.4
151.78668	0.4
163.03934	0.4
165.05536	2.6
167.07132	0.4
174.13823	0.4
179.07091	0.4
189.04225	0.8
189.68098	0.4
190.04987	6.4
193.04999	2.7
207.06461	0.4
209.04425	1.8
289.88837	0.5
290.08206	0.7
292.06995	0.4
292.09912	3.5
293.07925	0.4
307.09592	0.6
319.08469	1.6
320.09183	100.0
322.10522	0.6
334.10721	2.7
336.12228	2.1
354.10345	0.4
551.80792	0.4
592.18195	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60928	0.2
57.79095	0.2
73.68479	0.2
84.35487	0.2
84.56963	0.2
85.92430	0.2
88.43924	0.2
98.17904	0.2
109.19604	0.2
128.69293	0.2
139.22830	0.2
163.66719	0.2
163.67986	0.2
261.93756	0.2
290.07910	0.3
292.09705	3.3
318.07587	1.6
319.08688	0.3
320.09189	100.0
321.09909	0.4
322.10611	0.3
334.10846	0.4
336.12228	2.4
407.25418	0.2
592.20508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32726	0.2
58.06613	0.2
64.43033	0.2
70.06554	0.2
73.32882	0.2
89.93741	0.2
155.39484	0.2
230.13614	0.4
266.83994	0.2
278.07889	0.5
285.07623	0.3
286.07974	1.1
292.09662	10.0
304.09595	1.6
306.07593	3.5
307.08475	0.3
320.09143	10.3
321.09949	29.1
336.12280	100.0
337.12680	0.3
449.27719	0.3
592.25244	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32572	0.3
62.76907	0.2
73.14918	0.3
74.02283	0.3
76.30664	0.3
79.14196	0.3
104.44592	0.3
127.19428	0.3
161.50713	0.3
187.21469	0.3
269.60632	0.4
286.07764	0.4
292.09662	8.4
304.09683	1.5
306.07675	3.3
308.09128	1.6
308.12631	0.4
320.09171	22.5
321.09946	29.0
322.09848	0.4
335.11014	0.4
336.12289	100.0
592.16553	0.8
592.25555	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56815	0.2
66.19622	0.3
74.04214	0.3
78.12358	0.3
87.16724	0.3
118.59099	0.3
149.49866	0.3
184.07500	0.3
190.04942	0.4
240.78223	0.4
292.09659	9.9
304.09610	1.3
306.07578	2.6
307.08478	0.4
319.08197	0.4
320.09122	12.9
321.09943	32.6
336.12283	100.0
377.16174	0.4
592.25464	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77031	0.3
51.57312	0.3
72.95180	0.3
79.05384	0.5
81.06986	0.6
95.08496	0.5
99.04350	0.4
109.10065	0.8
133.10016	0.4
292.09656	3.9
306.07385	0.5
308.12561	0.8
318.07639	0.6
319.08533	0.5
320.09152	45.8
321.09863	8.7
322.10388	1.4
334.10739	1.9
335.11197	0.8
336.12271	100.0
337.12732	0.5
338.13773	0.9
339.18121	0.7
401.22861	0.5
466.19257	0.4
592.25641	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.254
Annotation	Unknow
Peak:m/z	Relative Intensity
73.81428	0.2
130.93115	0.2
219.38705	0.3
291.08820	0.3
292.09717	2.6
307.08258	0.3
308.09354	0.3
308.12814	1.1
319.08157	0.4
320.09174	51.2
321.09818	8.7
322.10031	1.9
334.10852	1.0
335.11169	0.3
336.12289	100.0
338.13699	0.3
553.67548	0.3
592.25787	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66353	0.3
57.07059	0.3
59.25130	0.4
61.02920	1.7
64.23328	0.4
69.03431	0.8
70.82084	0.3
71.16096	0.4
73.02936	0.6
74.85076	0.4
79.05524	0.4
84.38223	0.4
85.02908	8.9
91.03944	2.9
91.07342	0.4
97.02892	2.9
99.04434	1.1
103.05462	2.1
103.07584	0.6
107.04933	0.6
120.08100	100.0
127.03862	3.3
128.94368	0.4
131.04938	2.7
131.73650	0.4
142.34099	0.5
145.04944	4.5
149.06010	2.5
163.06010	4.2
166.08626	42.2
217.10744	0.5
229.10736	0.5
247.11758	2.1
265.12939	2.2
282.07596	0.5
325.11218	0.7
375.65036	0.6
383.66959	0.5
438.39078	0.6
592.20721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03455	0.4
58.56508	0.3
59.90472	0.4
63.22125	0.4
69.03432	5.6
71.05000	0.4
73.02924	0.4
81.01831	0.4
81.03430	3.0
85.02910	12.3
87.04445	0.5
97.02898	4.1
99.04493	3.4
103.04019	0.5
107.04958	100.0
109.02895	4.2
121.06487	3.5
127.03916	10.6
145.04970	2.9
149.05994	7.5
167.07014	3.1
173.05920	0.5
173.09689	0.5
211.07571	0.5
211.09555	0.4
227.99403	0.5
233.08138	0.5
275.09088	1.0
293.10141	4.4
311.07587	1.0
311.11237	28.7
366.99667	0.4
377.15869	3.2
395.17068	2.4
413.18097	1.0
455.15146	0.7
491.93033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45654	0.1
58.06604	0.3
61.22541	0.2
67.05527	0.2
72.74994	0.2
79.96964	0.2
107.08657	0.2
119.40845	0.2
137.49826	0.2
196.97104	0.2
210.43790	0.2
274.76962	0.2
275.09378	0.2
285.07568	1.8
286.07880	1.8
292.09683	8.6
304.09738	1.5
305.10571	0.2
306.07584	3.0
320.05362	0.4
320.09183	11.3
321.09967	29.0
334.10818	0.9
336.12311	100.0
338.14038	0.4
466.25372	0.2
592.27930	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39883	0.6
54.43167	0.6
62.28086	0.6
63.77845	0.6
63.82457	0.6
67.43818	0.6
69.07073	0.7
79.05520	0.7
81.07064	1.7
88.62087	0.7
93.07104	1.3
95.08614	1.1
121.06563	0.9
130.58517	0.8
147.11714	0.7
187.29451	0.8
299.93134	0.7
433.24084	3.3
445.23895	4.2
459.21729	3.5
460.21970	7.6
461.23108	8.3
472.23779	1.3
473.23349	28.2
474.24133	7.2
475.24292	1.2
476.25793	9.7
477.26767	1.7
487.25742	11.6
488.28134	1.6
503.24472	11.7
504.27438	11.6
514.26001	3.3
515.24451	7.8
532.27112	88.6
560.26697	13.1
592.29211	100.0
592.36798	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07432	0.5
53.84126	0.5
55.05513	2.5
57.07078	2.4
59.52075	0.4
63.22515	0.4
67.05504	3.7
69.07067	3.7
69.07403	0.5
69.41289	0.5
71.08621	0.6
79.05521	1.1
81.03402	0.6
81.07072	5.6
83.08613	1.3
87.78171	0.5
91.05499	1.0
93.07044	2.8
95.08585	4.4
97.02890	0.6
97.10176	0.9
99.04465	2.9
102.26690	0.5
107.08579	1.0
107.27469	0.5
109.10131	2.3
118.49031	0.5
119.08562	0.8
121.10126	0.6
133.10135	1.1
135.11711	1.1
137.81514	0.5
147.11737	0.6
221.91743	0.5
261.22357	0.7
262.22372	0.6
264.06470	0.8
278.08124	29.7
290.08194	5.9
292.06000	11.6
306.07590	43.2
307.08365	54.9
313.27570	0.7
314.27728	0.8
322.10724	100.0
340.11765	15.4
519.64233	0.6
574.49182	2.2
592.32635	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
57.03419	4.5
60.07730	3.4
62.91839	3.4
67.05501	35.7
69.07067	7.9
79.05499	10.5
81.07071	30.1
82.82536	3.7
83.08604	23.9
85.06540	5.4
91.05481	6.3
93.07037	29.0
95.04933	4.5
95.08617	6.2
97.10170	76.9
97.55287	3.8
99.08078	4.0
101.77032	3.5
107.08595	20.6
109.10130	48.7
119.08539	5.6
125.09624	100.0
133.10158	5.3
135.08003	5.2
143.10753	5.1
145.10033	4.3
147.11726	4.8
151.11133	4.7
153.09033	5.8
171.10167	16.9
173.11745	7.6
189.11209	72.8
227.12740	86.5
229.14255	18.1
245.13782	48.6
313.48648	4.9
321.09747	7.1
334.10757	5.5
336.12222	32.5
351.25137	6.4
399.23685	47.8
418.12872	6.8
439.26959	69.5
521.34595	29.2
539.35620	25.7
592.19220	25.2
592.27612	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39483	0.9
61.75219	0.9
94.93024	3.8
96.92834	6.0
98.05574	0.9
104.74914	0.9
135.19154	0.9
141.41135	0.9
149.52641	1.0
158.54805	1.0
160.73495	1.0
182.32956	0.9
208.88432	4.0
212.85121	1.7
223.56630	1.0
223.70596	0.9
248.89682	2.0
250.89539	12.4
250.97189	100.0
381.07813	12.6
391.31741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76754	0.2
56.27105	0.3
57.03421	0.4
63.73648	0.2
67.59245	0.3
69.76080	0.3
71.04990	3.0
85.02908	2.8
103.59647	0.3
107.28214	0.3
115.53763	0.3
152.30275	0.4
158.62416	0.3
161.07530	0.3
211.60643	0.3
270.05283	1.3
285.07565	100.0
349.65128	0.4
447.12872	31.3
593.18689	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1865
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
57.03451	0.3
61.04814	0.2
64.88046	0.2
66.98088	0.2
67.47871	0.2
71.04999	2.7
76.59840	0.2
85.02910	3.1
87.68904	0.2
92.21499	0.3
101.76927	0.2
129.05399	0.3
179.50948	0.3
270.05289	0.4
285.07571	100.0
313.05542	0.3
447.12881	22.8
593.18402	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1866
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
50.47913	0.4
55.82961	0.4
61.14412	0.4
63.80024	0.3
70.06616	0.4
71.04986	2.4
83.89702	0.4
83.94783	0.4
85.02896	2.6
91.29875	0.4
102.35569	0.5
112.47778	0.4
129.05470	0.5
147.58675	0.6
153.09132	0.7
285.07568	100.0
292.09674	0.8
293.09525	0.5
320.09177	1.0
321.09860	4.4
322.10287	3.6
334.10623	0.6
336.12323	7.7
337.12656	10.6
447.12878	27.2
593.16797	3.2
593.26733	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37253	0.3
52.98892	0.3
58.06610	0.3
58.33328	0.2
65.03973	0.3
67.65903	0.3
69.03397	0.5
81.03415	2.0
85.02899	0.4
90.01620	0.3
91.05478	3.9
99.04469	0.6
109.02850	0.5
119.04938	14.6
128.69167	0.4
147.04405	21.5
149.09615	0.4
151.07516	0.4
157.03949	2.4
173.65184	0.3
175.03893	67.4
179.06995	0.7
189.12721	1.8
207.06514	100.0
207.13730	2.9
225.14827	1.5
245.81393	0.3
319.08447	1.2
320.09094	5.3
334.10614	1.8
337.12555	0.4
351.10349	0.6
369.11874	6.7
593.25903	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34273	0.4
76.14924	0.5
81.02097	0.4
81.07087	0.6
85.50935	0.4
91.72699	0.4
97.33768	0.4
181.74095	0.4
188.31799	0.4
237.67853	0.5
421.01080	0.5
431.18347	3.3
433.23935	5.0
434.24777	2.2
439.85565	0.5
445.20010	3.5
446.20947	3.3
447.21640	6.5
459.21609	3.2
460.22495	16.7
461.23224	11.7
462.24097	0.6
473.23587	2.7
474.23999	0.8
476.25787	1.0
477.22308	0.7
487.25046	1.0
491.24573	0.9
492.25250	2.5
493.25558	0.5
505.21942	9.8
518.23187	0.6
519.24023	2.4
533.25482	51.3
534.25897	2.6
561.25134	0.5
564.23755	1.8
565.28186	1.8
593.27563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
62.83991	4.0
63.06753	4.3
104.64973	4.8
150.47324	5.3
219.51947	4.5
435.89404	5.1
460.22458	21.9
461.22742	6.4
533.18353	5.4
533.25647	53.8
593.27649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.15901	0.3
55.02219	0.4
73.32750	0.5
99.60962	0.4
237.67039	0.5
305.16476	0.5
431.13297	0.5
431.18704	2.6
432.19818	0.5
432.46838	0.5
433.24194	1.0
434.24377	0.7
445.20099	0.7
446.21008	2.2
447.21979	4.5
448.35117	0.5
459.21957	2.7
460.22430	15.2
460.28336	0.8
461.23181	11.1
473.23688	1.1
474.24167	0.7
477.27005	0.9
487.25403	0.9
492.24948	2.6
505.21890	8.6
518.23041	1.1
519.23431	0.8
533.25433	34.3
534.25983	1.1
564.23114	0.8
565.28149	1.0
593.27551	100.0
602.28168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
60.83294	0.4
118.41331	0.4
271.34378	0.5
326.72055	0.5
419.22641	0.6
431.18704	2.6
433.23889	4.2
434.24677	1.0
445.20184	2.0
446.20929	1.0
447.21698	5.1
459.21655	2.3
460.22537	17.1
461.23215	15.2
473.23511	1.1
474.24158	0.9
476.25836	2.0
487.24927	1.9
491.24725	0.8
492.25201	1.9
504.25381	0.6
505.21851	9.0
518.23657	0.7
519.24091	0.9
533.25464	56.0
534.26062	0.9
593.27582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
57.03424	0.2
58.06591	0.4
59.18420	0.2
69.03435	0.3
69.07081	0.4
70.64391	0.3
71.05006	3.1
73.00021	0.3
79.05515	0.5
81.03416	1.2
81.07061	0.7
83.04976	0.4
83.08628	0.4
85.02911	3.5
85.06543	0.5
85.48712	0.3
91.05459	0.3
92.40574	0.3
92.68194	0.4
93.07047	1.4
95.04979	0.3
95.08583	0.6
97.02869	0.4
99.04465	10.8
107.08589	1.4
109.02927	0.3
109.10155	0.6
117.05504	1.8
118.93924	0.4
119.08579	1.2
121.10161	2.0
127.03908	0.5
131.08565	0.6
133.10126	1.6
135.11743	0.4
143.08716	0.3
145.10152	1.4
146.34195	0.3
147.11685	0.6
157.10143	0.6
159.11665	2.0
173.13268	0.6
188.65904	0.3
197.13258	0.6
197.68521	0.3
199.14813	0.3
213.16414	1.4
215.14375	0.4
223.14775	0.6
227.17859	0.4
239.18010	0.4
253.19519	0.4
253.59154	0.3
261.09686	0.5
270.05258	0.7
279.21014	1.5
285.07578	100.0
292.09659	0.4
293.09848	0.5
297.22128	12.5
315.23233	3.2
319.08185	0.5
320.05405	0.6
320.09152	17.0
321.09845	3.1
322.10214	1.5
334.10782	1.1
335.10880	0.4
336.12274	6.7
337.12701	6.7
338.13879	0.4
447.12888	26.0
538.47430	0.4
593.18933	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81239	0.4
54.26906	0.5
63.92758	0.6
66.23705	0.5
75.61342	0.6
76.44206	0.6
85.15366	0.6
107.33350	0.7
142.19313	0.6
146.85678	0.6
232.03943	0.7
278.82404	0.6
309.09900	5.7
320.09177	3.8
321.09961	1.2
322.10529	1.0
323.11743	2.6
334.10828	1.4
336.12277	10.7
337.13055	15.3
364.11841	4.3
374.13852	0.9
376.15707	2.0
392.14957	1.0
393.20737	1.3
405.11990	9.9
420.14407	52.2
446.12283	5.4
447.13098	7.9
462.15372	2.6
488.13071	0.7
530.52740	0.7
545.79907	0.8
548.20441	0.8
560.17059	1.3
561.17639	5.9
562.18475	1.0
576.20380	6.9
594.21173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09430	0.3
66.82101	0.4
85.02941	0.3
94.48203	0.4
123.20307	0.4
128.34598	0.5
180.96262	0.4
220.14096	0.4
258.24023	0.5
262.08456	0.5
285.07611	3.4
286.00189	0.4
286.07858	3.9
292.09683	4.4
308.09167	1.0
320.09161	100.0
321.09537	4.4
322.10110	2.0
323.11566	0.4
334.10712	0.8
336.12280	4.7
338.13699	1.7
448.13434	1.5
480.15268	0.4
594.22369	9.2
594.70099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09430	0.3
66.82101	0.4
85.02941	0.3
94.48203	0.4
123.20307	0.4
128.34598	0.5
180.96262	0.4
220.14096	0.4
258.24023	0.5
262.08456	0.5
285.07611	3.4
286.00189	0.4
286.07858	3.9
292.09683	4.4
308.09167	1.0
320.09161	100.0
321.09537	4.4
322.10110	2.0
323.11566	0.4
334.10712	0.8
336.12280	4.7
338.13699	1.7
448.13434	1.5
480.15268	0.4
594.22369	9.2
594.70099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87367	0.3
57.96223	0.4
58.06573	0.5
71.04980	0.7
85.02874	1.7
92.20936	0.5
93.35589	0.4
113.06123	0.4
131.04909	0.9
151.07510	2.8
160.05219	0.5
161.05974	0.8
161.37694	0.5
161.85429	0.4
162.75417	0.4
174.05440	1.7
175.07539	3.1
181.04880	2.2
182.05330	0.7
199.07536	0.7
214.95209	0.4
236.87363	0.4
260.28528	0.5
276.06549	0.5
277.12158	0.9
278.08368	0.4
285.11090	4.6
286.11615	5.7
289.10892	0.4
290.08069	8.1
291.10043	0.8
292.09543	0.6
302.08127	2.1
304.06015	7.5
305.06656	0.5
305.11682	2.2
305.37247	0.5
306.12073	0.8
313.11014	1.0
318.07620	9.3
319.08374	45.3
320.09113	10.3
321.09750	2.2
322.10776	2.1
334.10715	100.0
335.11475	7.1
336.12329	8.0
337.14478	4.7
344.12875	0.8
345.05954	1.9
445.11975	0.7
459.13315	0.7
475.16434	0.6
534.20221	4.1
594.22235	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.8
57.03437	1.8
63.55895	1.3
67.05496	7.9
69.03435	1.8
71.04974	2.3
74.77209	1.4
79.05493	2.9
81.03445	2.7
81.07058	10.5
83.04961	2.9
83.08637	3.0
85.02903	8.8
91.05466	3.7
93.07041	10.3
95.04965	1.7
95.08596	7.8
98.98466	5.8
99.04472	6.4
100.31770	1.5
105.07025	9.3
107.08576	3.2
109.02888	3.1
109.10145	4.0
111.08099	1.8
119.08595	8.7
121.06483	2.9
121.10156	3.3
127.03909	3.5
129.07048	2.5
131.08537	3.5
133.10126	10.9
135.11684	6.8
143.08498	1.6
145.04961	1.8
145.10153	6.4
147.11696	8.1
149.13268	3.7
151.11171	2.3
157.10031	1.8
159.11739	6.8
161.13223	3.4
173.13161	3.2
177.12599	2.0
185.13130	2.3
199.14908	2.8
219.19852	1.8
223.06003	1.8
242.19952	1.9
244.09641	2.0
259.20618	3.1
277.21844	2.5
285.07526	68.7
286.07886	84.9
292.09702	3.2
295.20364	6.8
306.07712	1.9
313.21671	3.5
320.09161	8.0
321.09918	18.1
322.10556	3.4
330.11026	3.7
333.24213	2.3
334.10614	2.8
334.24686	12.7
336.08313	2.4
336.12271	62.2
337.12717	9.3
338.13724	6.4
344.08905	2.0
347.11880	2.8
348.08673	2.9
351.25305	7.3
358.10709	3.7
360.08267	2.9
374.10120	2.7
376.07852	3.2
388.11829	7.6
390.09500	3.7
391.10480	54.2
392.11273	7.2
399.69424	1.7
404.11407	20.7
447.12711	6.3
448.13174	32.1
456.16409	5.4
502.22302	20.5
512.20325	2.8
530.21442	6.7
548.22577	7.1
558.20892	3.6
576.22113	100.0
594.22955	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80916	0.2
62.88339	0.2
65.03925	0.3
69.03418	1.6
70.06584	0.4
73.60850	0.2
81.03423	2.7
84.08135	0.3
85.02918	2.6
85.43152	0.2
88.20015	0.3
91.34034	0.2
97.02879	0.5
99.04451	1.0
108.02065	0.3
109.02871	1.2
111.04441	1.3
125.05984	2.4
127.03900	1.7
151.03899	100.0
164.07071	0.3
169.04941	7.3
175.03914	0.4
177.05498	0.3
177.32014	0.3
188.07024	2.7
189.07861	1.1
206.08104	1.0
207.06596	1.1
245.91214	0.3
249.87000	0.3
284.58371	0.3
295.08096	4.6
313.09146	12.7
320.09006	0.4
360.71466	0.3
414.09845	0.5
432.10846	1.3
432.15366	0.8
475.14276	1.3
554.42749	0.3
594.15546	5.4
606.88092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
84.91135	1.6
87.02547	1.4
89.41919	1.6
105.06989	1.9
107.26321	1.7
133.06551	6.7
136.05214	3.0
150.26215	1.6
151.07539	52.6
160.05180	27.9
161.05946	11.2
175.07533	67.1
189.69548	1.5
191.06993	1.6
199.07539	18.9
231.07877	2.4
245.09618	2.4
246.10374	8.5
247.07486	2.0
259.07635	1.8
261.62714	1.7
262.09851	6.7
273.09146	3.6
274.09885	17.3
275.10675	4.0
277.12207	14.3
290.09210	10.4
291.10287	11.8
304.05988	6.7
305.11731	34.5
306.12469	30.0
307.09689	3.5
318.07578	2.4
319.08459	20.4
320.09134	10.9
322.11008	9.1
334.10706	28.4
335.11230	3.7
336.12149	10.6
337.14325	100.0
345.06165	3.0
355.15326	7.8
391.56897	1.7
397.16577	14.0
594.20959	20.8
594.69928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
73.71590	0.4
78.05057	0.4
81.07066	0.6
91.05387	0.5
93.07016	0.6
95.08621	0.8
111.55960	0.6
119.04884	0.5
132.66844	0.6
149.05960	4.2
172.08781	1.0
176.07082	4.0
188.08292	4.1
201.09074	2.6
203.10687	8.4
215.10703	4.8
218.05954	0.9
218.08110	26.1
255.10097	1.1
285.07550	12.5
286.07904	15.2
292.09671	6.9
293.10083	2.5
304.09818	0.6
306.07651	2.1
307.08035	0.8
320.09189	7.9
321.09918	29.0
322.10361	5.9
336.12289	100.0
337.12607	22.2
338.13184	0.6
447.12781	0.9
448.12973	4.7
495.79819	0.7
532.27124	0.6
548.26770	3.9
576.26300	0.7
594.26984	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
64.45764	0.6
69.03430	1.6
71.04989	0.8
81.03416	8.8
81.07061	28.9
85.02914	6.4
95.08598	3.5
95.30257	0.7
97.02893	5.7
99.04458	100.0
104.10804	0.9
109.02878	1.4
117.05489	12.3
121.40757	0.7
127.03910	5.4
137.13254	3.8
145.05066	2.1
181.08662	0.8
187.42598	0.7
243.08638	1.6
261.09717	17.3
318.07742	1.2
319.08313	7.9
320.09232	8.0
321.09616	1.6
322.10556	4.3
323.11545	0.8
334.10690	15.0
335.11011	3.1
336.12259	8.4
337.12549	1.0
338.13828	3.3
346.62274	0.8
362.44360	0.7
405.13846	2.8
423.14893	4.2
453.45398	0.7
594.12347	0.9
594.20123	1.3
594.28101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63948	0.5
55.05523	1.4
58.06620	1.0
67.05512	4.3
69.07076	2.9
79.05489	3.2
81.07056	6.1
85.63055	0.7
88.75019	0.8
91.05490	2.9
93.07039	6.9
95.08600	5.9
97.10141	0.7
105.07028	3.2
107.08601	3.4
109.10158	1.5
117.07073	1.0
119.08613	3.8
121.10155	2.9
122.09690	3.0
122.61200	0.6
131.08572	1.4
133.10159	2.8
135.11700	3.2
143.08536	0.9
145.10129	1.3
147.11632	1.2
149.13277	1.0
157.10129	1.4
159.11633	1.5
171.11691	2.5
173.13312	1.7
195.11644	0.8
216.17529	1.0
238.77859	0.8
277.21735	1.6
317.20901	0.8
336.12421	1.6
370.31076	3.5
553.42432	1.3
594.45178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03192	3.4
57.85255	3.1
79.05459	4.0
80.03569	4.0
81.03415	3.7
91.05478	6.9
99.04463	5.6
107.04958	17.1
107.80709	4.4
122.91805	4.0
131.13531	4.4
133.91812	4.1
137.05994	15.9
147.04440	5.9
148.05168	5.9
149.05969	4.8
150.69313	3.6
151.07568	15.8
161.05977	7.0
163.03940	6.5
165.05516	5.2
167.07030	85.4
170.71234	4.0
173.05975	5.8
177.05463	5.8
179.07004	4.7
181.04996	53.2
199.50598	4.5
239.90120	4.3
248.43794	4.0
285.07458	8.0
286.07648	6.3
287.08188	7.7
291.10254	7.3
299.87695	4.0
307.09790	4.3
307.14075	4.1
309.36490	3.7
320.09094	19.6
321.09543	18.4
322.10416	4.0
336.12137	16.6
337.12546	6.1
355.11765	6.2
359.27808	3.7
367.11661	5.9
369.13303	7.6
385.12692	17.4
416.14548	36.3
595.21729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93748	0.7
64.16151	0.8
67.05491	0.8
67.94585	0.8
69.07085	1.2
73.22305	0.7
81.07081	1.0
83.08639	0.9
93.07053	0.9
95.04979	0.9
96.67712	0.7
105.06999	1.0
107.08630	1.1
121.10195	0.9
147.04163	1.1
147.43257	0.7
192.73907	0.9
237.94006	1.0
319.26221	0.9
433.24109	5.7
459.21643	1.4
463.21124	5.7
464.21466	1.0
473.23520	3.3
475.25046	4.7
477.22821	9.6
478.23804	1.9
486.20724	3.2
489.23111	1.1
491.24515	6.2
492.25287	13.6
499.21951	1.4
501.22827	28.6
503.20773	13.1
505.26181	0.9
517.22174	1.0
519.24072	10.8
521.22083	1.9
522.22992	1.3
533.25287	1.2
535.23816	1.5
536.24390	6.2
545.21765	5.4
551.26495	27.9
563.22961	7.8
577.23480	1.4
595.25562	100.0
595.40210	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70428	0.4
67.05517	0.6
69.07083	0.3
69.51378	0.3
71.82507	0.3
79.05524	0.5
81.07066	1.6
95.08630	0.8
96.44804	0.4
97.10181	0.4
105.07045	0.4
107.08557	0.4
109.10184	0.7
121.10161	0.7
133.10136	0.6
147.04227	0.7
147.11676	0.5
166.07855	0.3
244.40192	0.4
355.38916	0.4
372.57861	0.4
391.83340	0.4
401.31653	0.4
407.22101	0.5
418.21814	0.4
432.23090	0.5
433.23972	5.5
435.21933	2.2
449.19495	0.5
457.23743	0.6
458.21423	0.4
459.21960	2.3
460.22617	0.7
462.20129	2.9
463.20908	3.3
473.23495	2.6
474.24588	0.8
475.24982	2.5
476.21985	0.6
477.22879	14.9
478.23813	2.8
485.19833	0.8
486.20374	2.6
489.22974	2.4
490.20001	0.6
491.24512	6.0
492.25244	7.1
495.27484	0.8
501.22845	24.3
503.20807	12.1
507.24622	1.7
517.22211	2.8
518.23065	0.7
519.24023	3.5
521.21381	3.3
522.22626	1.5
524.23962	0.6
535.23517	5.8
536.24243	15.7
544.20642	0.4
545.21875	2.2
549.24841	3.0
551.26654	8.0
563.23511	0.7
567.25720	0.6
577.25006	3.2
595.25549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2549
Annotation	Salasol B
Peak:m/z	Relative Intensity
51.65114	0.7
55.05545	1.1
55.82629	0.8
60.75016	0.7
67.05495	1.1
69.87270	0.9
69.95509	0.9
80.25134	0.8
85.77554	0.9
93.07076	0.9
95.08644	1.4
101.42250	0.9
109.37599	1.0
112.72364	1.0
192.13484	1.1
204.06587	1.1
345.18134	1.3
352.11673	1.2
419.18799	1.1
433.16129	1.1
434.21210	5.4
435.16537	1.4
435.21637	10.7
448.18976	2.2
449.19571	2.2
461.19910	1.1
462.20465	15.5
463.20886	6.7
475.21262	4.2
489.22574	1.4
507.24496	15.5
535.15051	1.5
535.23364	50.6
567.25995	3.9
595.25525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.286
Annotation	BEBEERINE
Peak:m/z	Relative Intensity
55.05515	1.0
55.48024	0.8
57.03415	1.5
57.07080	10.5
57.86963	0.8
67.05503	1.2
69.07074	1.2
71.08634	8.9
81.07061	5.2
83.08607	2.1
85.10185	4.6
92.21457	1.8
95.08607	7.0
97.10182	1.1
103.22158	0.9
109.10157	4.8
120.96646	4.0
120.99556	0.9
123.11620	1.1
128.19038	0.9
137.43021	1.0
176.99245	6.8
195.00330	2.3
202.28175	0.9
203.05263	6.3
265.00867	8.2
283.01846	13.3
301.01569	8.6
313.27371	19.5
370.21725	1.0
415.22305	11.2
595.28363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2862
Annotation	BEBEERINE
Peak:m/z	Relative Intensity
51.14870	0.7
55.05527	1.3
57.03436	0.9
57.07088	9.2
60.99197	0.7
67.05507	1.8
69.07064	1.6
71.08300	1.2
71.08623	9.2
81.07063	5.1
83.08634	1.5
84.08681	0.8
85.10172	6.4
89.11566	0.9
95.08626	4.8
97.10188	1.1
104.81676	0.8
109.10167	3.5
120.96648	3.5
123.11739	1.7
146.45114	0.8
150.71965	0.9
155.85829	0.9
176.99269	6.5
198.98514	1.1
203.05238	5.0
259.88828	0.9
265.00870	7.3
280.26495	1.2
283.01962	11.9
301.01819	6.3
313.27374	21.0
335.61829	0.9
415.22198	14.0
423.32178	1.1
433.23465	1.1
559.73560	1.0
577.27484	1.1
595.28510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	0.7
53.03969	0.7
54.54018	0.6
55.05333	0.5
55.05522	9.5
57.03440	7.5
57.07084	1.1
65.03929	1.3
67.05509	32.7
69.03418	1.0
69.07068	11.6
71.04993	0.8
73.36717	0.6
79.05500	25.6
81.03423	3.9
81.07059	35.5
83.04983	1.2
83.08637	5.2
85.06573	0.8
89.76956	0.6
91.05475	14.1
93.07045	34.1
95.04971	1.7
95.08604	35.1
97.06532	2.7
97.10159	1.4
98.98463	41.1
99.04469	0.7
105.07032	11.0
107.08588	18.5
109.02878	7.6
109.10147	12.5
117.07018	3.5
119.08552	9.8
121.10137	17.4
123.08025	0.9
123.11709	3.4
127.03876	0.9
131.08574	6.8
133.10115	9.3
133.26703	0.7
135.11703	10.6
145.10130	4.8
147.11700	6.7
149.13220	6.7
155.01027	20.7
159.11664	4.1
161.13251	4.0
163.06085	1.3
163.14804	1.6
173.02098	3.6
173.13280	2.9
175.14914	0.9
177.16461	0.9
187.14819	1.2
243.21083	5.2
261.03781	3.3
261.22092	10.8
285.88348	0.8
317.06223	4.4
317.24612	4.7
335.07413	5.8
335.25781	100.0
415.22229	5.0
423.27417	3.1
559.26935	4.8
577.27826	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70921	0.9
53.03954	1.1
54.69650	1.0
55.05515	10.7
57.03437	6.8
58.27844	1.0
59.23010	0.9
65.03944	1.2
65.97397	0.9
67.05505	37.4
69.07062	12.6
70.38432	0.9
71.05002	1.3
72.54555	1.1
79.05497	23.5
81.03419	6.4
81.07061	39.2
83.04991	1.1
83.08614	4.3
85.06548	1.2
91.05465	13.1
93.07038	33.9
95.04967	2.4
95.08603	34.0
97.06541	2.2
97.10142	1.6
98.98463	43.1
99.03043	1.0
99.04469	1.1
105.07029	10.4
106.45607	1.1
107.08582	20.6
109.02857	8.5
109.06480	1.2
109.10145	13.7
111.08012	1.3
117.07038	1.8
119.08562	12.1
121.10141	21.1
123.11668	1.3
127.03923	1.2
130.56152	1.0
131.08569	7.2
133.10132	12.1
135.11693	12.9
137.09656	1.2
137.13347	1.1
138.83647	1.3
145.10143	9.1
145.56625	1.0
147.11694	5.3
149.13245	4.7
150.45949	0.9
155.01042	23.2
159.11661	2.3
161.13226	4.6
173.02072	2.0
173.13235	1.6
175.14801	1.0
243.21077	6.7
261.03693	1.6
261.22177	12.8
317.06335	5.8
317.24658	2.4
335.07346	7.0
335.25778	100.0
415.22180	1.8
423.27451	2.2
546.49933	1.1
559.26233	6.2
563.83392	1.3
567.47583	1.1
577.27283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04640	0.9
52.06728	1.0
55.05529	8.8
55.05748	1.1
57.03448	9.5
57.07055	1.0
60.59757	1.2
67.05515	32.9
69.07069	9.2
79.05499	14.2
80.37766	1.2
81.03430	3.0
81.07063	33.1
83.08604	1.9
84.28360	1.4
91.05487	6.1
93.07050	21.4
95.08606	29.9
95.89580	1.2
98.98479	12.4
105.07044	6.0
107.08610	12.6
109.02894	5.7
109.10175	10.4
117.07003	1.8
119.08584	4.8
121.10146	9.2
123.11730	5.1
131.08591	2.2
135.11694	5.9
142.65102	1.1
145.10185	2.3
147.11655	2.0
149.13255	1.7
173.13249	1.7
203.06645	1.2
261.03729	1.8
261.22128	1.5
319.09692	1.7
320.09283	2.0
321.09424	2.1
334.10803	2.6
335.07483	1.9
335.11169	5.0
335.25778	100.0
336.11935	1.6
348.12134	2.4
349.12601	4.6
412.83694	1.4
565.25574	2.2
595.31030	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70921	0.9
53.03954	1.1
54.69650	1.0
55.05515	10.7
57.03437	6.8
58.27844	1.0
59.23010	0.9
65.03944	1.2
65.97397	0.9
67.05505	37.4
69.07062	12.6
70.38432	0.9
71.05002	1.3
72.54555	1.1
79.05497	23.5
81.03419	6.4
81.07061	39.2
83.04991	1.1
83.08614	4.3
85.06548	1.2
91.05465	13.1
93.07038	33.9
95.04967	2.4
95.08603	34.0
97.06541	2.2
97.10142	1.6
98.98463	43.1
99.03043	1.0
99.04469	1.1
105.07029	10.4
106.45607	1.1
107.08582	20.6
109.02857	8.5
109.06480	1.2
109.10145	13.7
111.08012	1.3
117.07038	1.8
119.08562	12.1
121.10141	21.1
123.11668	1.3
127.03923	1.2
130.56152	1.0
131.08569	7.2
133.10132	12.1
135.11693	12.9
137.09656	1.2
137.13347	1.1
138.83647	1.3
145.10143	9.1
145.56625	1.0
147.11694	5.3
149.13245	4.7
150.45949	0.9
155.01042	23.2
159.11661	2.3
161.13226	4.6
173.02072	2.0
173.13235	1.6
175.14801	1.0
243.21077	6.7
261.03693	1.6
261.22177	12.8
317.06335	5.8
317.24658	2.4
335.07346	7.0
335.25778	100.0
415.22180	1.8
423.27451	2.2
546.49933	1.1
559.26233	6.2
563.83392	1.3
567.47583	1.1
577.27283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
57.03443	6.8
61.37421	0.7
65.03961	0.8
67.05508	33.8
67.70525	0.7
69.07065	13.7
71.04996	1.5
77.99167	0.9
79.05495	24.9
79.48191	0.8
81.03416	6.7
81.07060	39.6
83.05037	0.9
83.08611	4.4
85.02908	0.9
85.06542	1.1
91.05484	13.0
93.06477	1.7
93.07041	36.1
95.04959	1.6
95.08604	33.4
97.06541	1.3
97.10175	2.0
98.98460	35.6
99.04465	1.3
105.07032	10.4
107.08599	17.9
107.60906	0.8
109.02862	8.3
109.10147	12.1
111.08065	1.0
117.06989	3.2
118.16208	0.8
119.08574	10.5
121.10127	15.4
123.11684	3.2
125.09664	0.9
127.03864	1.3
131.08548	5.7
133.10126	9.1
134.87856	0.8
135.11702	11.6
137.13295	1.1
145.10110	4.5
147.11687	3.9
149.13263	7.6
155.01022	18.0
159.11687	3.5
161.13255	3.9
163.14841	3.1
173.02127	4.1
173.13226	4.3
180.08220	1.0
187.14775	1.9
227.29837	0.8
243.21092	6.5
261.03665	3.4
261.22192	13.2
317.06305	5.4
317.24719	4.8
335.07297	4.3
335.25781	100.0
415.22479	3.6
419.24829	1.1
423.27744	2.5
551.16901	1.0
559.26483	4.9
577.27161	1.8
595.30621	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05513	4.7
57.03440	5.2
57.07078	1.4
60.32434	0.6
65.03946	0.6
67.05508	28.2
67.07148	0.6
69.07082	6.3
71.08649	1.1
73.67676	0.6
79.05499	16.3
81.03414	4.2
81.07063	35.0
83.08627	3.7
85.06527	1.0
91.05494	11.3
93.07039	25.3
95.04947	1.0
95.08610	28.5
97.06547	1.2
97.10165	1.7
98.98460	21.0
99.04463	1.0
105.07037	8.1
105.97388	0.6
107.08603	18.0
109.02869	4.0
109.06503	0.7
109.10145	13.5
111.08040	0.8
116.99426	1.0
117.07024	3.1
119.08578	10.4
121.10146	16.4
123.08038	1.0
123.11686	3.6
129.05489	3.9
131.08571	10.1
133.10130	10.6
135.11703	13.1
137.13254	1.1
145.10156	7.2
147.11678	5.8
149.13277	6.7
155.01024	12.4
159.11673	8.2
161.13222	4.3
163.14801	5.2
173.02124	3.3
173.13251	6.1
175.14861	1.3
177.16400	1.7
179.14330	0.7
187.14824	1.6
201.16331	0.9
217.19638	0.9
243.21118	12.8
261.03769	1.6
261.22159	14.1
293.96964	0.9
317.06268	5.4
317.24667	7.8
319.08405	0.8
320.09076	1.3
324.71405	1.0
334.10791	1.4
335.07339	4.4
335.11176	1.2
335.25790	100.0
415.22391	3.2
423.27585	1.1
473.35233	0.9
559.26587	7.0
577.18121	1.0
577.27643	8.6
595.18359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39780	1.6
55.05530	2.8
57.03442	3.9
57.07067	2.0
61.84893	2.1
67.05510	28.9
69.07064	8.2
77.60474	2.0
79.05498	14.4
81.03418	4.0
81.07052	35.3
83.08634	4.3
91.05493	10.6
93.07046	29.7
95.08607	30.6
96.15076	2.0
96.67609	1.8
98.98469	35.5
105.07031	16.0
107.08588	22.2
109.02892	9.7
109.10153	17.1
109.87281	1.9
117.07005	2.3
119.08586	12.2
121.10130	23.2
123.11701	2.4
131.08568	9.9
133.10136	10.5
135.11713	13.7
145.10135	8.9
147.11691	9.8
149.13255	8.2
151.14859	2.1
155.01009	19.0
159.11688	5.0
161.13264	4.1
163.14726	4.0
173.13264	8.6
233.22462	2.9
243.21074	15.6
261.22092	19.0
317.06277	4.0
317.24771	10.4
318.91101	2.2
320.09229	4.7
335.07309	2.9
335.25787	100.0
336.12143	3.3
559.26532	4.9
577.27679	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77579	2.0
52.96593	1.6
53.90496	1.6
55.05512	3.4
57.03438	4.1
67.05505	28.1
69.07059	8.8
79.05495	18.4
79.63776	1.8
81.03437	4.8
81.07056	31.1
85.06506	2.0
91.05482	10.5
93.07043	32.1
95.08604	32.5
98.98477	34.4
105.07033	12.8
107.08603	23.4
109.02888	9.1
109.10140	14.9
117.07069	2.4
119.08591	9.9
121.10148	21.7
123.11676	4.1
131.08568	4.7
133.10153	9.9
135.11716	14.8
145.10123	13.3
147.11684	4.8
149.13225	4.8
155.01024	18.3
159.11705	9.4
161.13300	3.1
163.14828	8.1
173.02124	4.1
173.13271	9.6
200.60583	2.0
217.19646	2.8
243.20982	23.4
261.22086	18.5
309.64893	2.2
317.06317	8.6
317.24835	11.0
320.09030	3.1
321.09378	2.6
334.10657	2.5
335.07358	3.8
335.25793	100.0
336.12094	2.9
337.12680	2.5
462.68430	2.2
559.26318	5.1
577.27448	5.0
615.69501	2.4
624.27972	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44321	1.3
55.05516	2.5
57.03441	6.1
59.12939	1.3
67.05514	26.8
69.07067	5.3
79.05491	11.3
81.03413	1.9
81.07063	35.4
83.04984	1.6
83.08626	6.1
91.05486	6.3
91.26323	1.3
93.07047	20.8
95.08609	29.9
98.98463	7.7
105.07040	2.4
107.08596	15.2
109.10178	11.1
117.06976	2.0
119.08585	7.9
121.10128	17.0
123.11706	3.7
129.05449	3.3
131.08562	8.6
133.10133	3.9
135.11696	8.3
145.10182	6.5
147.11699	6.8
149.13277	3.4
155.01038	2.3
159.11736	3.6
161.13304	2.3
163.14764	2.7
173.13229	3.3
221.82326	1.4
243.21156	6.2
261.22244	2.9
265.46689	1.5
292.38950	1.7
308.08817	1.9
319.08270	1.7
320.09045	1.9
322.10611	2.7
334.10849	5.8
335.07520	2.1
335.25800	100.0
336.12277	3.1
347.65625	2.0
450.49744	1.9
595.18494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68181	4.8
52.90216	5.5
54.80917	5.4
62.49564	6.0
67.05518	6.7
68.35974	6.0
70.05283	5.6
72.04500	48.0
80.67657	6.4
81.07043	8.1
121.10157	7.3
135.08084	37.7
135.09146	23.5
145.55618	6.2
146.08089	8.6
152.34184	9.0
161.10768	8.9
167.66707	7.9
173.09618	15.6
209.11612	8.8
229.72661	7.4
320.08981	10.7
334.10706	15.9
410.20737	100.0
427.46356	6.8
578.28558	77.6
595.29333	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
53.93885	1.0
57.03442	1.2
58.14207	1.0
67.05479	1.5
69.03421	1.3
81.03403	9.1
85.02895	6.1
92.20841	1.4
93.07069	2.2
95.08607	1.8
97.10153	2.8
99.04452	100.0
103.94139	1.4
105.07059	1.8
107.08594	1.8
109.02856	1.3
109.10158	6.0
117.05502	9.2
119.08597	1.2
121.10139	12.4
123.11658	1.2
127.03896	1.6
131.08607	1.4
135.00079	1.1
135.11662	4.8
147.11652	8.5
149.09625	1.6
153.09128	1.2
159.32428	1.4
161.13316	2.3
163.11252	1.5
165.09128	1.8
165.12737	1.6
175.11157	6.5
179.10637	8.1
189.12738	5.2
190.54025	1.2
193.12248	2.4
229.19620	1.4
241.19450	2.1
243.17447	1.7
243.21089	5.2
253.19519	13.2
259.20602	14.8
261.09717	2.7
271.17618	1.4
271.20557	50.9
289.21609	62.2
299.20004	4.9
308.09424	1.4
317.21237	1.6
318.07748	2.2
319.08350	4.8
320.09091	2.5
334.10782	9.1
335.11038	2.5
335.22125	92.1
546.97888	1.4
577.29462	1.3
595.21307	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	7.5
72.04515	13.2
74.06078	14.0
74.79155	1.2
77.08231	1.4
86.16489	1.1
89.20687	1.2
90.39960	1.1
92.70611	1.2
93.58703	1.3
93.60996	1.4
95.61649	1.2
99.04467	2.7
101.01711	1.4
107.04944	4.9
107.35626	1.6
108.06844	1.3
115.11636	1.3
123.09208	8.9
135.08049	96.7
148.65286	1.2
149.07123	15.6
155.58963	1.3
161.09579	3.2
171.07690	1.3
173.09589	14.4
173.49739	1.2
194.12874	100.0
209.11725	33.7
220.10818	6.6
234.11649	1.4
248.10222	16.5
272.29871	1.6
290.08127	1.3
293.16135	4.8
294.11218	1.7
318.07584	2.1
319.08377	4.9
320.08939	6.9
321.09808	2.4
334.10748	12.8
335.11047	1.7
336.12033	2.0
337.12766	2.6
338.13754	1.4
376.21042	11.5
387.20200	5.6
427.23419	4.5
506.26318	2.1
534.16016	1.4
595.20917	4.5
595.31335	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08470	0.6
69.07069	4.5
69.65845	0.7
70.06594	43.4
74.56472	0.6
75.02759	0.6
79.90408	0.6
86.09708	72.3
87.09261	0.8
88.07639	0.8
97.07661	1.2
115.08685	28.7
127.08694	3.4
134.10793	0.7
138.12811	2.8
151.08426	0.9
153.80295	0.7
154.09758	9.0
154.15947	1.5
155.08153	10.0
155.15453	1.6
170.19025	26.6
172.10812	7.7
183.14925	11.4
194.37239	0.8
199.18044	3.9
222.22278	1.0
227.17703	0.9
227.21178	14.9
228.17065	0.8
238.25310	3.3
240.17128	1.4
255.20720	1.6
267.24387	1.4
268.16550	2.6
283.27371	5.8
285.19269	3.8
299.29712	0.8
306.25476	3.5
311.27100	0.9
324.26620	1.7
334.24872	5.1
341.29083	1.3
351.27765	5.2
352.26010	12.4
368.29208	3.0
369.28534	4.4
426.15103	0.7
437.34665	0.9
454.37466	1.1
481.37659	3.6
482.37067	3.0
567.46100	1.3
577.43610	0.8
595.45404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.2
56.42072	5.1
57.07084	11.2
66.44644	5.2
67.05501	24.1
69.07072	63.5
71.08621	24.9
72.93456	6.1
81.07066	73.6
83.08643	60.8
83.38420	5.3
84.11852	4.9
84.96416	5.3
85.10191	12.7
86.09691	8.2
91.05476	9.6
93.07065	11.1
95.08607	58.2
97.06529	8.5
97.10165	54.0
99.08092	9.5
103.71465	5.4
104.10733	55.0
104.21542	5.8
105.06988	11.8
105.11084	6.7
107.08585	8.5
109.10137	56.9
111.11721	24.9
113.09637	7.6
119.08601	9.4
121.10135	12.3
123.11689	12.2
125.09623	8.0
128.10628	5.3
133.10127	28.4
135.11731	14.4
137.09711	6.6
137.13246	9.6
147.11723	12.1
148.17340	5.9
149.13264	11.8
161.13246	23.2
163.14784	11.1
179.14288	8.7
181.15845	7.4
193.53619	5.2
194.32155	6.3
197.15607	5.8
198.18564	12.1
198.96742	6.4
214.18011	9.7
216.97742	8.5
245.22647	21.9
263.23752	40.1
278.08246	6.5
280.26343	74.4
283.10840	6.6
298.27411	100.0
299.25720	20.7
320.09109	21.5
388.77264	6.6
509.76743	7.1
578.51263	12.0
595.30573	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02190	6.8
55.05517	11.3
55.37776	6.7
56.85082	5.8
57.07064	11.3
67.05499	30.6
69.07066	39.0
70.22477	6.5
71.08630	14.0
74.29173	6.4
77.06218	7.3
79.05457	8.0
81.07067	50.5
83.08614	53.2
85.10157	7.3
85.75230	6.5
92.20980	6.2
95.08630	51.8
95.09111	6.7
97.10165	39.5
100.43478	8.0
107.08575	14.0
109.10144	57.5
109.44734	6.7
119.08634	7.8
121.10132	9.1
123.11697	11.6
133.10120	12.2
165.38875	8.2
180.73898	7.7
189.16414	9.3
263.23734	21.8
280.26349	100.0
298.27448	63.5
448.76932	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13544	1.0
55.05517	15.1
57.07086	13.6
67.05515	20.8
69.07075	27.1
71.08634	12.3
79.05506	8.0
81.07066	33.8
82.06577	1.2
83.05012	1.5
83.08625	27.4
85.10185	3.2
86.06072	2.3
91.05502	2.6
93.07079	9.3
95.08612	41.5
97.06548	2.8
97.10168	23.0
100.07595	2.7
105.07044	6.0
107.08581	7.3
109.10160	30.0
111.08057	1.8
111.11739	5.5
114.09186	2.8
119.08553	7.8
120.82430	1.3
121.10165	15.7
123.08042	2.7
123.11709	13.4
125.09619	2.0
125.13238	1.4
128.10689	1.8
133.10123	9.9
135.11681	10.0
136.84782	1.3
137.09647	1.8
137.13258	5.7
139.11153	3.2
141.12708	1.7
147.11667	10.8
149.13275	3.2
151.11224	2.1
151.14777	1.8
155.14342	1.8
156.13837	6.8
161.13252	5.6
163.14792	2.5
165.12860	1.5
165.16374	1.6
172.13283	5.1
173.11760	7.3
175.14821	2.7
179.17976	2.4
189.16437	2.0
216.15619	1.3
221.22690	1.5
245.22641	11.9
250.25305	2.5
262.25436	1.9
263.23700	21.2
280.26343	100.0
281.24680	1.9
298.27408	56.2
299.25839	5.5
317.85858	1.3
323.89841	1.3
329.25583	1.4
610.13098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64550	4.2
51.80775	4.7
55.05515	9.7
55.43707	4.5
57.07085	7.0
58.88298	5.0
67.05497	7.9
69.07079	22.2
71.50987	5.6
72.89954	5.5
77.82465	4.5
81.07081	41.1
83.08627	9.5
85.10189	6.1
93.07052	7.0
95.08592	33.6
97.10174	9.9
109.10158	12.6
119.08617	6.3
121.10041	5.6
123.11748	6.6
133.10167	6.6
148.40733	5.9
240.09332	6.3
263.23724	7.3
280.26334	100.0
297.07318	6.4
320.09222	10.6
523.67560	6.1
535.18091	5.7
582.46674	6.5
595.28101	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73650	0.2
52.23943	0.2
53.65702	0.2
56.62624	0.2
60.43570	0.2
76.07826	0.2
93.42847	0.2
93.43438	0.2
93.95145	0.2
96.36757	0.2
99.52966	0.3
291.12204	0.3
294.11038	0.4
308.12762	12.0
319.08365	0.3
320.09412	0.5
320.12595	2.4
322.10721	6.0
334.10764	0.5
336.12268	16.8
337.08835	0.4
337.13077	29.0
352.15417	100.0
434.03448	0.3
596.22217	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22065	0.6
62.06074	0.7
63.02360	0.6
70.02934	0.8
70.06567	2.4
72.04514	1.4
72.08147	0.6
73.80928	0.7
74.06075	1.0
80.46301	0.6
81.03426	1.4
83.04989	0.7
84.08160	1.1
85.02892	1.2
86.06124	0.6
86.09737	0.8
91.05485	1.2
95.04967	1.4
100.03985	0.8
100.07607	0.9
108.04454	0.8
109.02872	1.1
112.05080	1.0
116.07066	0.8
117.03367	5.4
119.04944	1.6
120.08165	0.7
122.06022	14.3
124.07575	3.6
125.04713	1.7
128.07051	1.6
137.05975	4.9
140.07114	0.7
145.02843	59.5
147.04390	4.0
149.05983	4.9
151.07506	1.4
152.07060	17.5
162.06775	1.3
170.08049	5.6
173.05939	0.8
175.03867	4.6
177.05458	100.0
179.07018	3.5
188.09195	0.8
201.05466	4.4
254.13779	0.7
293.08029	0.9
305.07993	1.0
325.10651	3.4
336.08676	7.4
337.10690	2.9
355.11655	4.2
373.12756	9.1
437.70419	0.8
542.20013	0.9
560.21472	9.1
578.22253	16.1
596.24078	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
57.03444	2.0
61.02934	2.9
69.03437	9.9
70.28075	0.4
71.05014	2.0
73.02927	1.9
81.03435	3.1
84.08186	0.6
85.02908	26.0
87.04447	3.6
91.03955	1.0
95.05023	0.5
97.02888	10.1
98.10901	0.5
99.04486	2.0
107.04957	46.1
109.02902	2.8
115.03951	0.5
116.68233	0.5
121.06561	1.1
123.04430	8.0
127.03905	8.6
129.10237	0.5
137.05997	1.9
139.03935	0.9
143.04942	4.3
145.05011	1.1
145.06525	7.3
161.05965	21.5
162.05551	0.5
164.07062	5.5
176.96915	0.6
209.09654	1.2
237.09184	2.6
255.10146	49.7
272.12808	32.8
272.15778	1.0
329.22244	0.6
417.96353	0.5
434.18286	10.2
596.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53071	0.5
55.01872	0.7
61.02916	0.6
62.06380	0.5
69.03413	4.7
71.04970	0.6
74.20024	0.5
74.29385	0.6
81.03426	1.1
83.01302	0.5
84.04537	0.5
85.02910	10.3
87.04451	1.1
91.03973	0.6
95.91978	0.5
97.02905	4.0
99.04440	2.2
107.04959	50.9
109.02874	1.2
121.06519	3.9
123.04411	7.3
127.03898	4.5
133.06567	0.6
136.07632	0.6
137.05992	1.3
143.04953	3.7
144.06610	1.4
145.04987	0.7
145.06493	6.6
145.41772	0.6
156.06557	2.2
160.55148	0.5
161.05963	20.6
162.05585	0.8
162.07607	1.0
163.06123	0.6
164.07054	7.6
165.07507	0.6
174.07622	9.7
177.07816	0.9
178.08723	1.0
179.72231	0.6
190.08675	0.8
206.08171	2.6
209.09738	1.1
219.08965	4.3
237.09122	3.3
255.10144	38.9
272.12769	11.7
278.10422	0.7
282.11252	0.7
284.12799	4.4
296.12869	2.6
308.11319	0.9
309.12143	2.7
398.16086	3.0
416.17014	23.3
434.18250	2.2
556.35663	0.7
560.21405	0.6
578.22308	23.5
596.23389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36130	0.6
59.94027	0.8
61.02935	1.3
69.03435	1.9
72.04514	1.0
81.03417	1.3
85.02921	7.6
97.02923	6.7
98.06087	0.9
99.04460	1.3
107.04964	49.0
109.02894	1.0
121.06521	4.3
123.04427	7.2
126.05548	1.6
127.03831	2.2
128.07117	1.3
143.04935	1.7
145.05058	0.9
145.06528	4.1
156.06578	3.6
161.05972	19.5
162.07683	1.0
163.06287	1.0
164.07057	5.9
174.07631	13.7
176.07095	1.1
177.07915	1.1
178.08696	1.9
186.59233	0.8
190.08665	1.2
206.08197	1.7
214.08714	0.9
216.67535	0.8
219.08966	4.8
237.09200	1.8
255.10175	35.3
272.12897	4.0
274.10593	1.0
278.10269	1.8
282.11530	1.1
284.12933	4.6
296.12860	1.4
309.12149	3.9
343.82538	0.7
398.16104	4.7
416.11523	1.2
416.17090	34.2
504.15604	0.9
578.15387	1.4
578.22443	35.1
596.23456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63502	1.5
53.69907	1.5
57.03436	2.2
74.38908	1.5
75.34426	1.9
85.02921	15.2
97.02946	2.6
103.05467	9.4
106.02760	1.8
107.04953	4.6
109.02916	2.4
112.80750	1.7
130.78905	1.8
131.04916	100.0
133.06483	3.6
140.28291	1.9
141.35336	2.5
148.05191	46.4
159.18950	2.2
161.05963	12.3
162.06763	2.4
163.07526	74.9
164.07018	2.9
165.70416	1.8
183.07858	2.3
190.08624	8.1
208.09583	2.3
237.11197	50.7
336.08536	3.8
399.16599	25.9
596.17004	12.5
596.24347	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	1.7
71.60300	1.3
71.95759	1.4
72.04516	29.1
81.07029	1.8
88.39082	1.3
90.05540	6.2
107.04943	9.1
123.96568	1.5
131.08612	1.5
135.08051	100.0
139.99420	1.8
146.08136	6.0
149.07048	2.9
152.07008	1.5
161.09558	2.5
167.06985	1.4
173.09610	24.5
175.05002	6.9
181.08546	2.1
184.07225	1.5
191.10637	1.7
209.11705	49.5
220.10774	26.3
228.72588	1.4
238.11830	7.4
249.08655	2.4
262.14532	1.7
320.09344	2.5
334.10626	5.8
336.26224	2.7
388.18622	13.7
406.58084	1.7
428.21747	25.8
430.21957	6.8
507.24728	2.2
548.48145	1.6
596.22021	2.9
596.29883	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24405	3.9
53.64948	3.7
55.01873	20.0
55.05537	4.0
56.00389	3.7
57.98840	4.0
68.03458	3.7
69.03430	19.5
71.04981	5.6
73.02928	10.6
73.77509	4.0
81.03429	18.1
81.07076	6.3
85.02917	19.6
85.06548	5.4
85.47075	4.1
92.21480	6.9
93.07027	8.7
95.08577	8.6
99.04464	9.7
105.07014	17.2
107.08619	9.8
109.02866	10.9
109.10154	8.5
115.03914	18.2
117.06959	6.8
119.08604	9.6
121.06495	6.0
121.10117	5.3
127.03902	29.0
131.08652	4.7
131.81709	4.9
133.10130	22.9
145.10103	30.0
145.38506	4.6
147.11722	7.8
147.45804	4.9
157.10098	5.2
159.11687	11.0
173.13121	7.0
176.07097	25.7
185.13185	7.2
195.11618	5.0
199.05981	5.5
207.08698	4.8
213.16342	9.7
227.17830	10.0
239.17793	5.9
279.21225	11.2
297.22064	100.0
315.23160	21.2
321.09924	8.8
336.12149	47.0
337.12518	9.3
578.21960	7.3
578.30139	7.3
596.22919	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05510	9.2
57.07085	2.8
64.51437	2.3
64.89158	2.2
67.05505	61.1
69.07057	15.1
79.05492	29.2
81.07058	81.8
81.11604	3.1
83.08611	13.9
91.05476	14.3
93.07046	53.8
95.08606	66.4
97.02853	2.1
97.06503	4.1
97.10168	3.4
99.08116	4.2
99.81953	2.3
105.07013	18.3
105.83759	2.2
107.08585	47.9
109.02880	12.1
109.10133	45.9
113.72992	2.8
114.21113	2.1
117.07011	11.6
119.08559	19.8
121.10162	46.4
123.08044	2.8
123.11698	19.5
127.03890	3.6
131.08591	21.5
133.10120	20.4
135.11678	49.6
137.13240	4.5
145.10139	15.2
147.11681	20.6
149.13251	25.8
159.11656	18.3
161.13200	16.0
163.14819	20.3
173.13249	22.0
175.14839	5.3
177.16388	5.6
182.40784	2.3
184.99527	2.4
187.14827	12.1
201.16409	3.0
205.15804	3.1
243.21107	34.4
261.22083	98.3
304.98364	2.9
305.03091	2.5
335.25861	17.8
353.26855	100.0
441.75082	2.4
561.27173	11.7
598.88702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29127	2.6
55.05510	5.8
55.60815	2.0
57.03433	4.0
57.07079	2.8
67.05183	3.0
67.05513	59.2
69.07059	12.0
79.05510	32.5
81.07060	86.6
82.77460	2.5
83.08596	10.0
85.06495	2.7
88.62168	2.8
91.05467	14.9
93.07050	55.1
95.08610	59.5
99.04487	3.2
105.07031	14.3
107.08598	46.5
109.02891	5.9
109.10159	41.7
117.07014	6.1
119.08581	22.3
121.10142	46.4
123.11699	20.3
127.03875	4.5
131.08595	21.2
133.10184	18.8
135.11700	40.8
135.97017	2.8
137.13300	5.2
145.10133	19.6
147.11691	17.2
149.13246	35.3
159.11676	20.4
161.13258	14.3
163.14822	14.4
165.12708	2.8
173.13298	28.1
175.14751	4.4
177.16429	5.9
179.14381	3.8
181.59438	2.6
187.14832	10.4
225.64946	2.8
232.13821	4.0
243.21100	35.4
261.22128	99.9
268.75784	3.1
278.91385	3.3
301.92041	2.8
335.25763	17.2
353.26871	100.0
377.26761	3.1
384.12915	2.8
386.98056	3.2
561.27063	16.3
596.26276	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99497	2.5
55.05519	5.1
55.80915	2.6
55.87180	2.5
57.07077	5.0
61.37859	2.7
63.93554	3.1
64.47495	2.5
67.05505	55.1
69.06697	2.8
69.07064	14.7
79.05498	33.0
81.07059	76.0
83.08627	13.5
85.06567	3.5
91.05484	18.8
93.07040	46.8
95.08612	76.0
97.10159	6.6
105.07038	16.6
106.38244	3.1
107.08582	43.1
107.82035	3.3
109.02858	5.8
109.10153	41.8
117.07017	7.5
119.08560	22.2
121.10146	47.7
123.11699	14.4
127.03911	6.5
128.05791	3.4
131.08572	28.8
133.10139	20.9
135.11687	52.7
137.13283	5.4
145.10146	25.4
147.11707	17.3
149.13228	31.2
159.07990	3.1
159.11717	25.7
161.13287	17.0
163.14838	20.7
173.13260	15.6
177.16418	5.3
187.14853	5.8
235.43877	3.3
243.21059	30.7
261.22131	96.0
325.59830	4.4
335.25787	18.4
353.26877	100.0
353.31223	3.9
561.26880	18.1
564.88336	3.8
580.35522	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43776	0.4
54.71280	0.6
62.40308	0.5
69.84289	0.7
78.41724	0.5
81.07078	0.8
81.67238	0.6
83.08632	0.6
85.02896	2.3
91.05483	11.2
91.46454	0.5
106.48451	0.6
109.06571	0.8
119.04935	8.2
137.05977	100.0
147.04057	0.7
185.71957	0.6
205.62639	0.8
235.00343	0.6
239.54417	0.6
242.61417	0.5
296.42224	0.6
319.19107	0.5
417.29974	2.2
491.77191	0.6
596.26276	1.3
596.38495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50219	0.3
55.05517	0.3
56.05037	3.9
61.08047	0.3
62.82011	0.3
65.29035	0.3
67.05495	1.7
69.07061	2.2
81.07036	0.5
91.05471	0.6
93.07045	0.5
95.08606	1.5
97.10162	0.6
98.01895	0.4
109.10159	7.6
111.11724	0.8
111.18270	0.3
111.89291	0.4
119.08578	1.3
125.09625	2.1
136.11226	0.7
137.09625	2.6
153.13857	2.2
154.12267	100.0
168.13806	2.0
170.11736	1.9
171.14919	43.2
185.16525	0.5
217.76250	0.4
232.86882	0.3
252.39725	0.3
305.22171	1.8
306.20767	0.6
323.23251	3.8
324.22046	0.3
341.24338	24.4
409.37897	26.8
423.39108	2.3
511.06354	0.3
596.47321	0.4
611.12396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	19.5
59.86673	7.6
71.08627	17.6
85.10180	11.6
89.06011	100.0
92.21535	12.9
97.10249	12.4
105.15711	8.8
133.08559	40.8
170.89590	10.4
214.83688	10.7
579.48492	90.3
579.56183	12.0
596.50897	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.12222	0.3
57.03436	1.7
61.02926	2.6
69.03421	1.9
73.02921	2.8
80.67705	0.3
85.02911	4.2
87.04441	0.4
88.23039	0.3
91.03960	2.7
91.68463	0.3
97.02901	2.7
100.59351	0.3
115.03876	0.6
127.03928	0.6
137.02296	0.4
144.04733	0.3
145.04945	0.3
163.06027	0.5
203.55382	0.3
229.04956	0.5
256.59912	0.3
257.04501	0.7
285.04016	0.4
303.04977	100.0
306.73486	0.3
315.05038	0.7
337.26733	0.3
345.05865	1.3
369.06052	0.6
465.10184	1.5
496.02118	0.4
504.57919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.145
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01877	0.9
57.03449	2.1
61.02936	2.8
69.03441	1.9
71.01328	0.3
73.02911	3.2
85.02908	4.6
87.04480	0.4
91.03953	2.1
91.10561	0.2
97.02894	3.3
99.04386	0.2
110.17822	0.2
115.03918	1.3
127.03939	0.8
133.04968	0.9
137.02309	0.4
145.04965	0.4
153.01846	0.3
163.06032	0.3
165.01863	0.4
174.81607	0.2
188.03128	0.2
198.87617	0.2
229.04996	0.8
257.04364	0.4
285.04037	0.3
303.04993	100.0
315.04913	0.8
345.06030	1.0
369.05969	0.3
460.42670	0.2
465.10272	2.0
498.16409	0.2
553.35962	0.2
590.29523	0.3
597.20831	0.2
597.25836	0.2
617.08160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03432	1.7
60.17713	0.2
61.02941	2.3
65.35116	0.2
66.91348	0.2
69.03423	1.5
71.01345	0.3
73.02924	2.6
81.95212	0.2
85.02908	5.1
90.47427	0.3
91.03944	1.2
97.02898	3.2
109.02917	0.3
115.03930	1.4
127.03902	1.2
133.04962	0.6
145.04980	0.5
162.92522	0.2
163.06078	0.4
164.11180	0.3
165.01791	0.4
166.15793	0.2
229.05058	0.5
257.04382	0.3
285.03848	0.5
303.04987	100.0
315.04980	1.1
336.12054	0.3
345.06006	1.1
369.06058	0.4
465.10229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06634	0.4
66.98725	0.4
68.74566	0.4
82.36519	0.4
88.52114	0.3
98.12384	0.4
114.79584	0.4
121.06477	0.7
132.46188	0.4
133.25520	0.4
143.81461	0.4
176.67201	0.4
180.07050	0.4
201.86731	0.4
267.26099	0.4
287.10974	0.4
292.09647	8.5
303.05011	1.6
304.09445	0.7
306.07550	3.1
318.07889	0.5
320.09174	10.0
321.09961	31.1
334.10611	1.6
335.11227	0.7
336.12277	100.0
337.12598	0.8
390.16626	0.4
526.37457	0.5
577.66199	0.5
597.25616	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59819	0.3
57.30165	0.3
58.06613	0.8
58.61657	0.3
66.18938	0.4
70.06593	2.1
81.59133	0.4
85.02922	0.5
86.68333	0.4
98.48879	0.3
104.89402	0.3
120.15841	0.4
127.03963	0.4
130.08702	0.4
182.59879	0.4
292.09644	10.2
304.09622	1.3
306.07553	3.1
319.08163	0.5
319.22186	0.4
320.05618	0.4
320.09161	9.3
321.09961	31.6
322.10486	0.5
334.10886	1.5
335.10944	0.4
335.22531	0.6
336.12299	100.0
336.39999	0.4
337.12781	1.8
338.13351	0.7
361.77753	0.4
471.82117	0.4
592.09253	0.4
597.25641	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61780	1.5
56.14407	1.2
77.42727	1.7
79.05549	1.4
92.21387	2.6
107.08592	2.3
144.82999	1.7
405.20837	1.8
420.22986	1.9
421.23645	13.0
451.21368	3.1
465.22919	10.9
477.26410	7.4
488.21970	6.5
491.20786	6.6
493.25995	8.1
503.24432	65.9
521.25812	11.0
537.24774	3.3
553.28198	9.7
565.24561	6.6
579.26172	2.1
588.69489	1.6
597.17285	3.8
597.27039	100.0
597.36993	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2705
Annotation	3,7,12-Triacetyl-8-benzoylingol
Peak:m/z	Relative Intensity
55.05523	0.6
56.04405	0.5
62.21905	0.5
64.25648	0.5
67.05482	0.6
68.43240	0.5
68.96704	0.6
79.05502	0.9
81.07066	0.8
93.07059	1.3
93.30138	0.7
95.04973	0.7
95.08617	0.7
102.27936	0.6
105.07057	2.3
107.08586	0.7
109.06520	0.7
112.58985	0.5
119.08587	2.8
121.06436	0.6
121.10197	1.0
125.25930	0.7
133.10144	1.0
133.15715	0.6
143.08577	0.9
145.10141	0.8
173.01164	0.7
250.25073	0.7
320.09317	1.5
321.09534	2.6
433.20334	3.9
434.21454	1.1
435.22250	2.8
437.23651	1.1
438.23843	1.0
448.22000	0.8
451.21368	4.1
464.22235	12.0
465.23123	8.7
477.23203	1.1
478.23599	0.9
480.25452	1.0
491.24493	1.0
496.24670	2.4
507.24039	9.5
509.21481	6.9
537.24963	40.6
567.26056	4.1
568.23761	1.4
579.26105	1.3
597.27136	100.0
597.39532	2.9
597.41168	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97798	2.3
61.22437	2.3
63.39678	2.2
67.05501	11.9
75.99467	2.1
78.31542	2.2
79.32069	2.4
81.07057	5.7
93.07033	2.9
95.08620	10.8
107.08585	4.2
121.10158	3.1
123.81977	2.5
134.52620	2.8
141.85753	2.4
164.32007	2.7
257.80280	2.5
263.13080	2.8
298.10132	2.8
317.25073	3.0
347.10809	3.7
421.23715	9.9
451.21146	6.2
465.22678	25.0
479.24298	10.4
480.24973	3.2
491.20425	4.1
493.25735	3.6
493.77896	3.3
494.26205	3.7
503.24411	26.6
509.21945	3.3
521.25421	16.2
524.24176	3.4
553.28033	60.1
597.27087	100.0
597.48560	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57523	0.6
51.55733	0.7
52.97213	0.6
55.05519	11.9
57.03439	4.8
57.07074	3.3
63.40725	0.6
63.52633	0.7
67.05510	33.1
69.03454	0.9
69.07072	18.9
71.04991	0.9
79.05499	11.9
81.03424	5.0
81.07060	44.7
83.08617	12.0
83.73479	0.8
91.05483	5.8
93.07046	14.2
94.85183	0.8
95.04961	1.0
95.08604	34.6
97.06523	1.5
97.10165	5.0
98.98468	38.0
105.07022	4.7
107.08591	11.0
109.02879	5.2
109.10147	15.1
111.08075	1.5
119.08585	5.9
121.10135	8.9
123.11702	6.3
127.03880	0.8
133.10135	6.5
135.11688	4.3
137.13255	1.4
145.10321	0.8
147.11691	4.3
149.13261	3.3
155.01047	22.9
155.02225	1.4
161.13203	1.7
163.14774	1.3
173.02107	2.9
175.14838	1.5
245.22643	3.5
261.03519	1.5
263.23795	6.8
273.77005	0.9
317.06201	6.8
335.07376	3.8
337.27341	100.0
425.28854	3.2
426.40961	0.9
561.28265	11.1
579.28680	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3033
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.11674	0.8
51.81774	0.8
55.01859	1.0
55.05514	12.1
56.66760	0.8
57.03436	6.4
57.07084	1.6
61.09929	1.0
65.03948	1.0
67.05511	42.1
69.07068	22.1
71.08633	1.6
79.05499	13.4
81.03421	4.3
81.07061	46.3
83.08624	11.6
84.72910	0.9
91.05478	7.5
93.07047	13.6
95.08610	42.4
97.06531	2.3
97.10161	5.2
98.98472	36.2
105.07040	6.6
107.08582	10.5
109.02869	5.0
109.06508	1.1
109.10159	16.3
111.08072	1.2
119.08591	4.6
121.10161	10.3
123.08075	1.0
123.11694	6.3
133.10143	8.0
135.11656	4.1
137.13251	2.4
140.94551	0.9
147.11688	4.9
149.13271	1.3
155.01038	26.9
155.02216	1.7
161.13231	4.2
173.02122	1.9
208.77519	1.1
213.16534	1.0
245.22679	4.2
261.03714	1.5
263.23651	12.0
317.06342	7.2
335.07404	1.6
337.27350	100.0
417.23727	2.0
425.29001	2.3
498.73813	1.1
561.28229	10.4
579.29053	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05325	0.6
55.05520	10.3
57.03441	10.4
57.07076	1.9
65.48786	0.6
67.05508	26.7
67.32028	0.7
68.27789	0.6
69.07068	19.5
71.04983	1.0
71.08623	1.1
79.05505	6.7
81.03445	1.6
81.07056	35.2
83.04992	1.0
83.08616	10.9
85.06496	0.8
91.05466	5.4
93.07044	10.0
95.08604	30.2
97.06527	1.7
97.10165	6.5
98.98459	10.3
101.20399	0.7
105.07042	3.7
107.08586	4.6
109.02875	3.8
109.10165	12.2
119.08559	4.3
121.10137	5.1
123.11710	4.0
133.10107	1.7
135.11723	1.0
137.08199	0.8
137.13202	0.9
147.11693	1.7
151.14825	0.8
155.01071	1.8
161.13255	1.0
200.77637	0.8
204.94255	0.7
213.58209	0.9
217.19217	0.8
261.03720	1.1
263.23593	1.2
312.99612	0.9
317.05856	0.8
337.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.4
56.92612	0.8
57.03437	5.6
57.07093	1.9
67.05186	1.6
67.05509	28.9
69.07073	14.2
71.04978	1.4
71.08631	1.1
79.05496	9.9
81.03423	4.1
81.07067	38.5
81.07553	1.3
83.08634	9.1
85.02891	0.9
91.05466	5.9
91.81020	0.9
93.07051	13.1
93.08942	0.9
95.04978	0.8
95.08609	32.3
97.06523	4.0
97.10164	1.9
98.41386	0.9
98.98466	30.9
99.04453	1.0
101.71676	0.8
105.07030	5.5
107.08597	9.9
109.02898	6.3
109.10161	12.0
113.09634	0.9
115.34936	0.8
119.08572	4.4
121.10133	6.8
121.28238	0.8
123.11744	6.0
127.03889	1.2
131.08554	1.0
133.10156	5.2
135.11685	3.4
138.69708	0.8
141.59511	0.9
149.13235	1.7
151.14745	1.0
155.01030	20.8
161.13295	1.6
163.14807	1.4
173.02094	2.0
175.14848	3.2
199.31535	0.9
245.22545	1.8
261.03497	1.1
263.23584	8.7
317.06134	5.8
335.07401	3.6
337.27347	100.0
375.11606	0.9
425.28699	1.2
552.82599	0.9
561.28357	7.6
579.29858	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.4
57.03455	5.1
57.07082	1.3
65.03959	0.9
67.05511	33.7
68.12134	0.6
69.07070	16.9
79.05494	8.7
81.03452	4.9
81.07066	40.2
81.07555	1.3
83.08614	10.3
85.02928	0.6
85.06559	0.8
91.05480	4.6
91.86148	0.6
93.07038	13.1
93.64313	0.6
95.08606	32.8
97.06561	1.3
97.10166	5.4
98.47163	0.7
98.98471	29.1
99.04440	0.9
99.08108	0.6
102.66589	0.7
105.07030	4.1
107.08585	7.7
109.02895	6.8
109.10162	16.9
119.08569	5.2
119.09332	0.7
121.10129	6.1
123.11688	8.0
125.09634	0.8
133.10135	6.0
135.11693	4.0
136.86296	0.6
137.13197	1.4
147.11708	3.5
149.13286	1.4
153.12813	0.8
155.01041	21.7
161.13219	2.8
163.05959	0.7
163.14847	0.8
173.02112	3.4
175.14774	1.0
208.52866	0.6
224.86983	0.7
245.22684	3.6
249.11488	0.6
261.03638	1.5
263.23734	6.6
275.84457	0.6
317.06384	5.5
335.07391	2.7
337.27350	100.0
368.45197	0.7
389.36923	0.8
417.24091	1.3
425.28870	2.6
561.28058	9.0
579.29291	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46193	0.8
55.05523	11.8
57.03432	4.5
57.07072	5.2
59.22272	0.9
62.56682	0.8
63.57324	0.8
65.03940	1.1
67.05510	32.6
69.07074	14.7
71.05008	1.4
71.08622	1.4
72.36783	0.8
79.05494	12.2
81.03419	3.9
81.07063	42.6
81.07556	1.4
83.04962	1.1
83.08618	11.0
89.45093	0.9
91.05486	8.6
93.07053	14.8
95.04962	1.2
95.08611	36.2
97.06528	1.9
97.10178	5.5
98.98472	38.1
99.04436	1.2
103.19300	0.9
103.42206	1.0
105.07022	7.4
107.08579	8.6
109.02877	6.3
109.10162	20.6
111.08089	1.1
119.08580	6.9
121.10126	7.4
123.08087	1.1
123.11724	7.0
127.03952	1.1
133.10130	5.9
135.11699	4.4
137.13223	1.9
147.11703	4.3
149.13260	1.7
155.01036	24.4
156.83150	1.0
161.13277	1.7
163.14780	1.4
173.02136	2.3
189.16510	1.1
245.22659	3.9
261.03714	1.3
263.23703	11.1
317.06305	6.8
319.26361	1.4
320.08954	2.2
328.49734	1.2
334.10571	1.1
335.07361	4.9
337.27335	100.0
356.76688	0.9
409.99326	1.1
425.28922	1.7
561.28113	11.9
579.29218	6.0
597.25049	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.8
55.05521	11.8
57.03443	4.9
57.07076	3.4
59.18125	0.7
67.05511	30.3
68.35110	0.7
69.07073	16.4
71.04996	0.9
71.08640	1.2
78.54052	0.7
79.05511	8.2
81.03425	3.4
81.07065	37.9
83.04976	1.1
83.08623	10.2
85.02864	1.0
85.06568	1.1
85.10172	0.7
91.05470	5.4
91.22025	0.7
91.77052	0.7
93.07040	11.6
95.08611	33.1
97.06535	1.1
97.10160	3.5
98.98473	32.4
105.07030	4.7
107.08609	9.4
109.02856	5.1
109.10157	15.3
110.86064	0.7
111.08099	1.1
111.11742	0.9
119.08583	4.1
121.10133	8.5
123.11702	4.6
123.84270	0.8
127.44903	0.8
133.10129	5.1
135.11702	3.5
137.13243	1.2
147.11673	4.4
151.14815	1.0
155.01042	27.8
161.13196	1.6
163.06000	1.1
163.14758	1.3
173.02155	1.6
175.14790	1.0
240.44661	0.7
245.22699	1.0
249.23030	0.8
261.03717	1.2
263.23685	7.9
317.06210	6.5
319.26138	1.0
335.07556	1.5
337.27359	100.0
417.24091	1.1
425.28922	1.5
561.28241	9.2
579.28979	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44403	0.5
55.05517	10.9
57.03448	5.7
57.07079	3.5
57.47834	0.6
61.16842	0.5
67.05508	39.0
69.07069	18.9
71.04987	0.9
71.08650	1.1
76.99960	0.7
77.64478	0.7
79.05495	11.5
81.03439	4.6
81.07060	44.2
83.08618	10.7
85.06573	0.7
85.10160	0.6
90.38483	0.7
91.05471	6.2
93.07048	16.9
95.08607	38.0
97.06531	3.0
97.10181	4.7
97.36951	0.7
98.98463	36.1
99.04453	0.7
99.70855	0.6
105.07036	5.1
107.08595	11.5
109.02896	7.0
109.10155	16.0
119.08589	5.3
121.10132	6.4
123.11692	7.2
127.03964	0.8
129.28720	0.7
133.10123	5.6
135.11719	5.5
137.13269	3.0
147.11691	4.5
149.13283	1.4
151.14749	1.2
155.01044	25.5
161.13274	2.7
163.14836	1.3
173.02081	3.1
175.14740	0.9
193.27824	0.6
244.32164	0.6
245.22639	4.2
261.03619	1.2
263.23740	6.9
299.04926	0.8
317.06271	6.4
335.07318	3.1
337.27338	100.0
342.27661	0.7
377.65247	0.7
425.28836	3.3
512.16187	0.7
561.28284	11.5
579.29242	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.1
67.05514	5.1
69.03421	3.8
69.07088	3.1
71.04990	19.5
79.05520	4.1
81.07063	19.4
83.08624	2.9
84.56866	2.7
85.02905	3.8
87.78108	2.3
91.05460	10.8
93.07023	18.5
95.05006	2.4
95.08588	13.6
97.06548	3.5
99.08105	4.5
105.07030	32.6
107.08595	16.6
109.06493	5.2
109.10184	18.0
117.07013	3.1
119.08573	12.1
121.10115	10.4
123.11673	4.7
125.09598	17.5
127.11195	25.7
130.48946	2.4
131.08582	5.0
133.10130	100.0
135.11650	3.0
137.09648	5.4
145.10086	20.2
147.11667	9.8
151.11171	36.7
155.10654	16.5
159.11703	14.9
161.13283	3.7
178.08586	13.9
179.08914	2.7
201.16405	12.4
219.17413	31.6
237.18492	83.6
255.19527	11.0
465.32574	3.7
597.25616	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.59407	0.7
57.86374	0.7
69.03433	1.3
71.02772	0.7
81.03426	9.8
81.07067	1.4
85.02922	6.3
95.08619	1.5
97.02911	1.5
99.04462	100.0
105.07042	1.4
109.02895	0.8
109.10138	3.6
111.08034	0.8
117.05495	11.0
119.08567	1.0
121.10136	1.4
123.11739	1.1
127.03938	2.9
133.10127	1.3
135.11743	1.7
139.11192	1.3
145.05031	1.0
145.10069	1.3
147.11713	5.1
149.13248	1.6
151.11185	0.9
159.11700	1.4
161.13277	1.4
173.13248	1.1
193.12212	4.0
195.33360	0.7
199.14761	0.7
205.12457	0.8
255.21075	11.5
261.09683	7.5
273.22125	10.1
283.20331	1.0
291.23145	4.5
301.21628	11.4
319.22763	5.1
337.23816	7.3
417.26392	0.8
463.26727	1.0
561.30652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48286	0.3
73.75438	0.3
85.44135	0.4
104.81866	0.3
158.07790	0.3
161.93628	0.3
249.07874	0.5
277.07297	0.4
289.07242	3.4
291.08868	0.5
292.09741	1.6
294.11227	0.6
307.08405	0.8
318.07660	1.7
319.08356	8.9
320.09131	12.8
334.07315	0.4
334.10587	2.8
335.07785	4.9
335.10934	0.4
336.08740	0.7
348.02722	0.4
351.07361	1.3
470.12433	0.6
482.12482	0.6
536.13452	0.6
540.12665	1.3
552.12592	1.5
553.13513	1.5
554.14551	1.7
566.14380	4.1
568.12524	2.0
570.17682	0.7
582.13916	5.4
598.17053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87282	0.4
70.06599	1.9
72.08175	0.5
99.04438	0.5
107.10115	0.4
111.80369	0.5
120.83670	0.4
121.06493	0.9
149.11252	0.4
177.05510	0.7
184.54271	0.4
294.07733	2.8
297.10590	0.5
308.05618	1.6
320.09201	9.1
322.07138	1.0
322.10617	0.7
323.07932	14.8
323.11542	2.6
338.10226	100.0
338.13898	12.2
436.13727	23.6
500.15009	0.7
598.18878	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80381	0.2
55.11942	0.1
57.11805	0.1
85.89275	0.2
161.02304	0.2
201.98491	0.2
268.09933	0.2
290.08264	0.2
292.09662	3.1
294.11237	4.6
306.11282	0.4
308.09149	1.3
318.07730	0.3
320.09180	100.0
322.10742	4.3
323.11530	11.9
338.13849	25.0
417.67154	0.2
598.19269	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80381	0.2
55.11942	0.1
57.11805	0.1
85.89275	0.2
161.02304	0.2
201.98491	0.2
268.09933	0.2
290.08264	0.2
292.09662	3.1
294.11237	4.6
306.11282	0.4
308.09149	1.3
318.07730	0.3
320.09180	100.0
322.10742	4.3
323.11530	11.9
338.13849	25.0
417.67154	0.2
598.19269	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73850	0.2
63.56612	0.2
63.94023	0.2
70.06578	0.3
85.02905	0.3
99.04427	0.3
137.05980	0.3
147.04378	0.3
167.07111	0.7
177.05525	0.3
213.10385	0.2
290.08047	0.4
292.09692	3.1
294.07611	0.5
318.07785	0.5
320.09161	100.0
321.09503	0.5
322.06989	0.3
322.10641	0.3
323.08047	3.5
323.11490	0.7
332.09357	0.5
333.10126	0.3
338.10214	25.0
338.13885	3.0
436.13754	5.4
472.78159	0.3
478.15143	0.4
592.23108	0.2
598.19080	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77091	0.5
58.06591	1.0
60.21340	0.5
61.28813	0.5
70.69281	0.5
83.79439	0.6
85.02909	0.7
95.08588	0.7
99.04480	0.7
109.10159	1.1
126.64931	0.6
175.03946	0.7
177.05536	0.7
177.06990	0.6
179.17967	3.5
193.04919	0.8
231.10077	1.0
271.13245	1.1
305.06738	0.9
308.05518	42.1
319.08438	3.1
320.09161	5.8
321.09656	0.7
323.07861	100.0
334.10629	9.1
336.12399	2.3
338.10193	56.2
399.21667	0.7
546.44666	0.7
560.71497	0.7
598.19147	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80381	0.2
55.11942	0.1
57.11805	0.1
85.89275	0.2
161.02304	0.2
201.98491	0.2
268.09933	0.2
290.08264	0.2
292.09662	3.1
294.11237	4.6
306.11282	0.4
308.09149	1.3
318.07730	0.3
320.09180	100.0
322.10742	4.3
323.11530	11.9
338.13849	25.0
417.67154	0.2
598.19269	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52741	0.4
75.21474	0.5
78.09798	0.5
92.21568	0.5
148.22131	0.5
153.68388	0.4
167.06949	0.5
266.08017	1.0
278.07996	0.7
279.08847	1.9
294.07571	4.8
295.08380	2.5
306.07617	2.2
308.05533	11.2
309.09787	0.6
310.10815	2.2
320.09216	1.0
322.07141	1.0
323.07849	17.7
334.10638	0.6
336.12317	0.6
338.10205	100.0
436.13513	0.6
472.80295	0.6
500.15533	37.3
598.18781	2.4
627.10370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67006	0.5
64.13939	0.5
66.14054	0.5
67.85471	0.6
70.25181	0.5
89.15338	0.6
115.97847	0.5
121.01164	0.5
126.99815	0.6
137.06047	0.6
161.05835	0.7
161.94371	0.6
167.07158	0.7
217.08551	0.7
247.09579	5.9
266.08139	1.1
270.02985	0.6
279.08972	1.1
281.39685	0.7
294.07608	5.6
295.08295	1.3
306.07510	0.8
307.08334	0.9
308.05511	10.6
309.09653	0.7
310.10825	2.3
322.07233	0.7
323.07889	17.7
324.12146	1.0
334.10809	1.0
336.12543	1.0
338.10208	100.0
436.14050	6.9
500.15552	20.7
598.18634	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30222	0.5
70.06626	0.8
87.90176	0.6
96.00705	0.5
99.72020	0.5
119.15752	0.5
138.76370	0.5
149.06067	2.0
162.07640	0.5
177.05498	0.6
186.28598	0.5
188.27609	0.4
190.39552	0.5
209.08133	0.8
292.09720	3.4
294.07541	2.1
308.08945	0.7
320.09174	100.0
321.09619	1.1
322.07266	0.7
322.10587	0.7
323.07864	8.8
323.11615	3.0
338.10214	57.9
338.13934	17.6
436.13666	14.0
436.18301	0.6
473.47623	0.6
478.14777	0.9
500.19659	1.8
538.17480	0.7
598.18945	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04488	0.2
70.06583	0.9
71.59055	0.2
97.48296	0.2
121.06477	0.4
147.04439	0.3
149.05984	0.3
167.07082	0.3
177.05508	0.9
209.08005	0.4
213.12186	0.3
281.59042	0.3
290.08249	0.3
292.09619	5.2
297.63953	0.2
318.07602	0.5
320.09158	100.0
321.09824	0.4
322.10770	0.4
332.12732	0.3
338.10144	0.3
360.12567	0.3
383.14673	0.3
388.64993	0.2
468.36667	0.3
598.19025	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04488	0.2
70.06583	0.9
71.59055	0.2
97.48296	0.2
121.06477	0.4
147.04439	0.3
149.05984	0.3
167.07082	0.3
177.05508	0.9
209.08005	0.4
213.12186	0.3
281.59042	0.3
290.08249	0.3
292.09619	5.2
297.63953	0.2
318.07602	0.5
320.09158	100.0
321.09824	0.4
322.10770	0.4
332.12732	0.3
338.10144	0.3
360.12567	0.3
383.14673	0.3
388.64993	0.2
468.36667	0.3
598.19025	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30222	0.5
70.06626	0.8
87.90176	0.6
96.00705	0.5
99.72020	0.5
119.15752	0.5
138.76370	0.5
149.06067	2.0
162.07640	0.5
177.05498	0.6
186.28598	0.5
188.27609	0.4
190.39552	0.5
209.08133	0.8
292.09720	3.4
294.07541	2.1
308.08945	0.7
320.09174	100.0
321.09619	1.1
322.07266	0.7
322.10587	0.7
323.07864	8.8
323.11615	3.0
338.10214	57.9
338.13934	17.6
436.13666	14.0
436.18301	0.6
473.47623	0.6
478.14777	0.9
500.19659	1.8
538.17480	0.7
598.18945	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87282	0.4
70.06599	1.9
72.08175	0.5
99.04438	0.5
107.10115	0.4
111.80369	0.5
120.83670	0.4
121.06493	0.9
149.11252	0.4
177.05510	0.7
184.54271	0.4
294.07733	2.8
297.10590	0.5
308.05618	1.6
320.09201	9.1
322.07138	1.0
322.10617	0.7
323.07932	14.8
323.11542	2.6
338.10226	100.0
338.13898	12.2
436.13727	23.6
500.15009	0.7
598.18878	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.1
65.75303	0.5
67.05536	0.7
69.42873	0.6
74.09679	0.7
79.39751	0.6
81.07061	0.9
88.76729	0.6
89.07109	0.6
92.20965	0.9
92.55737	0.7
129.25801	0.7
145.10085	0.9
168.00552	0.7
184.07402	1.3
187.12476	0.7
197.31622	0.6
205.95030	0.8
295.21301	0.7
319.08264	2.3
320.08987	1.1
321.09906	1.7
323.08099	0.9
334.10767	3.9
336.12354	6.7
337.12686	2.9
338.10107	1.4
344.58582	0.7
442.12411	1.2
455.13629	0.9
456.14377	29.1
468.14383	8.0
470.12259	15.8
478.39001	0.7
484.13882	39.9
485.14670	32.5
500.17059	65.4
510.15244	0.9
526.18115	1.0
554.18176	1.1
568.16083	1.1
582.17218	1.1
583.18433	1.0
598.20624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59036	0.2
53.61414	0.2
54.46091	0.2
78.04153	0.3
87.07963	0.3
96.17242	0.3
132.34485	0.3
150.46156	0.3
154.37663	0.3
290.08054	4.9
302.08066	1.5
304.06046	4.5
318.07642	6.6
319.08377	37.6
334.10730	100.0
336.12363	0.5
598.22876	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59036	0.2
53.61414	0.2
54.46091	0.2
78.04153	0.3
87.07963	0.3
96.17242	0.3
132.34485	0.3
150.46156	0.3
154.37663	0.3
290.08054	4.9
302.08066	1.5
304.06046	4.5
318.07642	6.6
319.08377	37.6
334.10730	100.0
336.12363	0.5
598.22876	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81264	0.3
87.88931	0.4
218.39124	0.5
223.80057	0.4
275.63831	0.4
277.74570	0.4
290.08041	4.8
294.11191	11.7
302.08133	0.9
304.06046	4.3
306.11246	1.9
308.09180	5.4
318.07535	6.1
319.08374	35.8
320.09167	17.9
322.10709	12.2
323.11481	31.9
334.10718	92.0
336.11877	0.6
338.13831	68.4
418.16486	1.9
580.21637	0.7
598.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99941	0.5
66.81894	0.6
94.13663	0.6
107.96735	0.6
290.02585	0.7
294.11215	13.2
302.77417	0.7
306.11444	3.0
308.09177	5.3
319.08328	5.0
320.09161	36.0
321.09885	3.3
322.10703	13.7
323.11481	36.5
334.10614	10.0
336.12204	10.3
337.13144	1.3
338.13831	91.3
348.12347	1.0
352.15482	0.9
373.11871	0.7
390.13623	0.9
399.50665	0.9
404.15146	1.2
420.14063	1.0
436.17673	3.2
478.19040	5.7
492.16525	0.8
508.20172	0.9
598.22931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16489	0.2
72.95883	0.3
78.04736	0.3
92.20924	0.3
129.07434	0.2
159.00430	0.3
191.05051	0.3
223.12256	0.3
224.46979	0.3
290.08029	3.7
292.09796	0.3
302.08121	1.3
304.06042	4.3
308.09030	0.5
318.07587	5.6
319.08386	38.3
320.09186	5.8
323.11298	0.6
334.10730	100.0
338.13962	0.3
418.16534	3.7
564.18579	0.6
580.21606	3.2
598.22900	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74577	1.0
56.47145	1.1
69.03432	2.3
69.04291	1.1
85.02912	5.7
114.93514	1.4
149.05968	2.6
155.82895	1.3
158.06068	2.3
161.05989	2.7
172.08847	10.2
173.06015	1.7
173.09703	1.4
176.07121	2.8
181.04765	1.3
188.06993	5.8
188.08376	28.6
189.05528	6.4
203.10648	38.7
203.12358	1.9
204.06566	40.9
206.08109	26.8
216.06590	2.4
217.04976	2.4
228.72554	1.3
292.09790	2.2
320.09158	22.2
321.09937	5.5
336.12268	26.7
368.13562	1.7
391.15451	2.3
418.16483	2.4
436.17667	15.4
598.22876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16489	0.2
72.95883	0.3
78.04736	0.3
92.20924	0.3
129.07434	0.2
159.00430	0.3
191.05051	0.3
223.12256	0.3
224.46979	0.3
290.08029	3.7
292.09796	0.3
302.08121	1.3
304.06042	4.3
308.09030	0.5
318.07587	5.6
319.08386	38.3
320.09186	5.8
323.11298	0.6
334.10730	100.0
338.13962	0.3
418.16534	3.7
564.18579	0.6
580.21606	3.2
598.22900	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59036	0.2
53.61414	0.2
54.46091	0.2
78.04153	0.3
87.07963	0.3
96.17242	0.3
132.34485	0.3
150.46156	0.3
154.37663	0.3
290.08054	4.9
302.08066	1.5
304.06046	4.5
318.07642	6.6
319.08377	37.6
334.10730	100.0
336.12363	0.5
598.22876	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69927	0.5
57.35037	0.6
58.91179	0.5
59.11823	0.4
61.87880	0.5
65.82908	0.5
69.03433	2.6
85.02917	4.4
97.02920	1.3
107.58750	0.5
109.64238	0.6
114.89577	0.6
123.00585	0.6
145.97311	0.5
149.92276	0.6
167.06908	0.6
167.61626	0.6
172.08887	1.2
176.07106	0.7
188.08296	5.5
196.87584	0.6
203.10680	16.7
204.06544	25.5
206.08118	6.6
232.06017	0.8
292.09802	2.5
320.09113	5.5
321.09937	14.1
323.07751	0.7
336.12277	100.0
338.10364	2.4
339.12170	0.6
340.12650	1.1
418.16525	3.7
436.17545	38.8
499.67792	0.6
598.22852	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93735	0.8
64.77253	0.8
83.33154	0.7
89.99848	1.0
97.25250	0.8
97.66907	0.9
101.02943	0.7
110.52616	0.8
115.58611	0.8
119.29062	0.8
121.06540	1.4
232.18950	0.8
232.24870	0.9
292.09875	1.9
294.11200	10.4
306.07501	1.0
306.11224	1.9
308.09338	5.5
319.08340	5.0
320.09195	13.9
320.12830	1.3
321.10037	6.2
321.95020	0.9
322.10696	15.2
323.11493	35.3
333.10373	1.0
334.10703	14.0
335.11514	1.1
336.12253	14.1
337.12961	3.2
338.13843	81.9
348.12396	14.2
349.13129	1.2
350.10098	0.9
360.12634	1.0
375.27435	0.8
392.15497	0.8
420.14444	1.6
436.17889	3.1
568.17853	1.4
598.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39109	0.3
65.99947	0.4
67.05502	0.6
79.82030	0.4
83.08807	0.4
85.70406	0.4
91.05506	0.4
92.99456	0.4
93.07047	0.7
95.08578	0.6
107.08591	0.6
143.00842	0.5
204.78191	0.4
243.20934	0.6
258.37271	0.4
306.07632	1.6
307.08365	15.0
308.09198	4.7
320.09238	2.8
321.09909	0.9
332.09149	35.4
334.10791	3.2
336.12433	1.0
342.11273	0.5
345.10138	0.9
346.10696	27.1
348.12296	0.6
353.26935	0.6
358.10703	0.8
360.12274	24.3
372.12540	1.7
374.14023	0.6
376.15451	5.5
400.15701	7.8
416.18869	0.8
448.58426	0.5
512.21088	0.7
528.20276	0.6
598.27991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50818	0.4
67.05510	0.8
79.05498	0.7
81.07057	3.0
87.68535	0.7
93.07063	2.8
95.08614	2.2
109.10120	0.7
115.84164	0.6
121.10137	1.1
131.08537	0.7
149.13277	0.6
150.91092	0.6
180.93675	0.5
200.42778	0.5
210.95200	0.7
229.46231	0.5
261.22189	2.4
306.07687	1.3
307.08331	13.5
308.09229	3.8
320.09177	4.4
321.09973	2.8
332.09149	35.4
334.10831	2.7
336.12247	4.6
337.75665	0.6
342.11240	0.6
345.10089	1.1
346.10703	28.7
348.12274	0.6
353.26910	1.2
358.10590	1.0
360.12286	18.3
374.13815	1.0
376.15427	3.5
382.96039	0.6
386.13901	0.9
400.15637	9.0
413.29391	0.8
512.20728	0.6
598.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27110	0.2
56.64293	0.1
60.12399	0.2
82.02277	0.2
102.55581	0.2
190.01631	0.2
292.09628	2.7
320.09177	100.0
583.31506	0.2
598.31628	25.3
606.90808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00347	0.2
58.74879	0.2
67.05450	0.4
68.40591	0.2
68.63782	0.2
70.03482	0.2
74.47932	0.2
80.85329	0.2
81.07006	0.2
81.28536	0.2
95.08528	0.5
103.46790	0.2
107.08535	0.3
127.03881	0.3
127.59013	0.3
175.06282	0.3
264.10455	0.3
292.09665	3.1
318.07593	0.3
320.09171	100.0
334.10583	0.6
401.28644	0.3
598.31769	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19571	0.2
57.07065	1.0
57.46606	0.2
65.30482	0.2
67.05477	0.4
69.03418	0.3
69.07053	0.4
71.08601	1.3
80.59472	0.2
81.03413	0.4
81.07049	0.6
82.74933	0.3
83.08608	0.3
85.10175	1.0
95.08567	1.0
97.02894	3.6
97.10188	0.4
99.04432	1.4
107.08573	0.3
109.10148	0.6
120.37437	0.2
127.03909	1.3
135.89012	0.2
145.04985	0.3
175.06264	0.3
290.08127	0.3
292.09647	3.1
320.09167	100.0
321.09747	0.3
322.10464	0.4
383.27795	0.3
386.99661	0.4
401.28928	5.0
598.31592	25.3
615.99249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91729	0.2
56.97551	0.2
69.07093	0.2
81.24403	0.3
91.31403	0.2
148.76428	0.2
194.61256	0.2
275.10025	0.2
292.09723	3.4
306.67334	0.3
320.09171	100.0
334.10617	0.9
357.47144	0.2
432.34109	0.2
598.31635	25.8
606.98724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11652	0.2
65.84875	0.2
72.37540	0.2
81.61771	0.2
85.96737	0.2
93.78112	0.2
109.42551	0.2
146.01221	0.2
150.43359	0.2
230.24947	0.2
290.08051	0.3
292.09692	3.1
318.07550	0.3
320.09155	100.0
326.39157	0.2
379.80215	0.2
389.14041	0.2
445.49924	0.2
598.31604	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.9
55.82829	1.0
57.03444	2.6
57.07076	8.4
59.22301	1.2
67.05507	47.6
69.07076	17.8
71.08633	7.7
73.02927	2.1
79.05502	12.5
81.07060	77.7
83.08623	16.6
85.10197	1.9
90.75098	1.3
91.05477	8.3
93.07053	25.2
95.08607	67.5
97.06552	5.7
97.10175	11.6
99.04472	2.2
99.08127	1.5
101.85101	1.3
105.07030	8.2
107.08592	17.5
109.02887	2.3
109.10164	41.3
110.03625	1.8
111.04423	1.6
111.08092	6.5
111.11727	2.8
113.09666	1.6
119.08570	13.9
121.10139	22.1
123.11710	22.8
127.03905	2.0
133.10153	17.5
135.11655	14.8
137.09599	2.3
137.13235	7.8
141.12723	1.6
147.11699	14.2
149.13284	13.0
151.14838	7.2
155.86087	1.4
161.13200	15.1
163.13579	2.3
163.14771	13.8
165.16385	6.4
175.14836	13.1
179.17908	2.0
181.15915	1.7
189.16360	6.4
190.16121	1.5
191.00095	2.5
231.74667	1.4
245.22615	49.5
263.23682	100.0
281.24768	1.8
334.10654	6.1
337.27368	36.2
355.28458	30.1
563.28564	8.9
598.28314	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10675	1.5
55.05513	8.6
57.03437	4.3
57.07067	9.7
67.05505	49.9
67.19971	1.6
69.07069	19.0
71.08624	8.9
78.90034	1.9
79.05501	12.8
79.34291	1.6
81.07058	75.9
83.08621	24.3
85.10146	2.5
85.36861	1.7
91.05470	14.5
93.05482	2.7
93.07036	16.3
93.08496	1.6
95.08601	72.7
96.43426	1.7
97.06513	8.6
97.10163	15.5
99.04429	2.0
105.07043	10.9
107.08583	19.3
109.02877	8.5
109.06480	1.7
109.10157	43.7
110.03721	1.8
111.08054	4.2
111.11715	3.3
119.08572	15.0
121.10138	21.8
123.11696	23.3
127.03904	4.0
133.10110	19.7
135.11661	12.2
137.13208	6.5
147.11636	14.3
149.13211	13.2
151.14851	2.8
161.13242	18.0
163.14815	10.3
165.16388	4.4
173.11865	2.0
175.14845	14.1
179.17993	3.5
189.16327	3.1
245.22672	39.8
263.23676	100.0
265.25372	1.8
308.96353	2.1
320.09167	4.1
334.10532	2.7
336.12213	11.5
337.27383	25.2
355.28354	44.1
436.76416	1.9
563.28827	12.9
598.27893	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19219	3.2
53.20954	3.1
55.05505	9.0
57.07080	3.9
67.05509	58.5
69.07063	34.4
79.05475	13.3
81.07059	85.4
82.79949	3.4
83.08620	21.2
86.29494	3.5
93.07043	23.6
94.78078	3.5
95.08604	70.7
97.06517	9.5
97.10189	7.0
98.98483	7.2
105.07052	4.5
107.08601	15.5
109.02885	5.1
109.10167	40.0
119.08571	8.9
121.10098	26.6
123.11719	25.2
127.20114	4.2
133.10110	19.8
135.11722	9.4
137.09668	4.3
137.13181	4.9
147.11710	8.6
149.13255	14.1
161.13220	14.9
163.14841	6.5
175.14854	15.5
203.17944	3.6
245.22588	50.6
263.23709	100.0
320.09024	5.1
337.27353	37.7
338.27576	5.6
355.28467	37.1
563.28888	5.4
598.28772	5.4
621.12146	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12765	1.6
55.05517	14.0
55.56768	1.3
56.58160	1.5
57.03441	3.5
57.07072	10.1
57.40200	1.6
60.15285	1.4
64.16386	1.4
67.05511	57.5
69.07073	21.6
70.05171	1.5
71.08627	8.7
73.02912	1.9
73.19865	1.4
75.13000	1.6
79.05499	16.8
79.27398	1.7
81.07066	76.5
83.08623	20.7
85.06547	2.7
91.05480	10.6
93.07052	27.5
95.08611	74.7
97.06520	8.2
97.10163	16.6
105.07030	7.6
107.08588	17.1
109.02884	4.2
109.10159	50.8
111.08057	3.8
119.08568	12.5
120.84557	1.6
121.10133	20.9
123.11725	29.0
125.09592	2.5
127.03911	2.6
133.10132	24.2
135.11687	17.6
137.09561	2.1
137.13255	11.2
147.11699	16.9
149.13281	12.6
151.14861	3.5
161.13246	16.6
163.14839	12.4
165.16405	6.4
175.14807	10.8
179.17905	6.9
184.75526	2.0
187.06657	1.7
188.87527	1.7
189.16399	7.8
207.42213	1.7
227.54681	1.7
245.22623	47.6
263.23682	100.0
265.25320	2.4
278.08224	7.1
279.23132	2.0
281.24805	2.8
306.07629	19.6
307.08469	7.3
308.09164	15.7
337.27383	37.6
355.28464	34.9
384.12320	9.1
422.29889	3.6
470.19357	2.2
563.28473	10.7
598.27911	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.1
57.03437	2.7
57.07079	13.3
67.05511	57.4
67.39578	2.6
69.07077	31.2
71.08629	4.4
72.78870	2.4
79.05505	16.8
81.07063	87.5
83.08627	17.9
85.02880	2.6
85.10177	2.6
91.05491	10.4
93.07052	21.5
95.08009	3.1
95.08612	85.3
97.06509	4.5
97.10158	15.0
99.08056	3.7
105.07037	11.2
107.08604	17.9
109.02837	4.0
109.10160	56.0
111.08096	2.8
119.08566	13.6
121.10139	30.5
123.11706	27.6
133.10141	22.7
133.54581	2.4
135.11732	17.3
137.13252	13.0
140.96138	2.7
147.11717	14.0
149.13257	14.4
151.14857	4.4
157.37227	2.6
161.13251	16.0
163.14821	12.7
167.53358	2.4
172.53897	2.2
175.14842	14.8
179.17976	4.4
189.16283	5.0
245.22638	47.1
263.23657	100.0
320.09238	4.0
337.27350	47.0
355.28394	37.1
563.28534	14.7
598.27832	4.6
620.07263	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59188	0.7
55.05524	1.2
57.07080	1.4
60.87926	0.7
66.38537	0.8
67.05508	11.6
69.07073	5.3
79.05494	3.7
81.07068	19.2
83.08628	4.9
91.05487	2.1
93.07043	4.4
95.08617	18.4
97.06560	1.2
97.10180	2.2
102.54084	0.8
105.07060	3.3
105.41422	0.9
107.08614	4.4
109.06538	1.0
109.10162	11.1
119.08589	3.5
121.10145	6.8
123.11729	5.0
133.10159	4.4
135.11723	1.9
137.13292	1.3
147.11752	1.9
149.13316	2.2
151.14818	0.9
161.13297	5.0
163.14792	1.6
175.14783	3.2
189.16373	1.2
190.03979	0.9
211.68515	1.1
245.22713	10.1
263.23712	22.2
277.78482	0.9
278.08051	11.1
306.07568	28.7
306.10754	1.4
307.08395	9.5
308.09177	30.2
316.70837	1.0
320.09180	1.5
330.50906	1.1
336.12903	1.1
337.27448	7.7
355.28555	6.7
384.12436	3.9
478.91757	1.1
598.27997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.03447	1.9
57.07082	12.5
61.02932	3.0
64.22527	1.5
69.03413	3.3
69.07082	1.6
71.05004	2.2
76.67654	1.5
77.12215	1.7
81.03423	2.0
81.07063	12.8
83.08607	2.2
85.02908	67.9
91.03944	3.0
91.06340	1.5
95.08604	27.7
95.17647	1.5
96.44501	1.7
97.02890	15.6
97.10188	2.5
99.04472	2.5
109.02918	5.4
109.10164	35.6
119.77917	1.5
123.11706	32.6
127.03933	18.2
145.04953	19.7
163.06018	3.6
167.07054	2.5
179.17929	100.0
197.62045	2.0
212.14838	1.8
218.42253	1.8
231.10019	6.0
239.20009	3.3
251.87483	1.9
308.05499	2.4
308.08847	1.7
319.08319	9.2
320.09262	6.4
323.07944	16.0
325.11246	3.8
329.50974	1.8
334.10809	18.4
335.11008	2.0
336.12408	3.3
338.06537	10.9
338.10214	20.8
342.77020	2.0
403.45703	2.3
434.56097	2.0
500.15848	3.5
598.19452	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34439	0.5
90.11237	0.5
91.05479	2.9
92.34264	0.5
93.07037	4.9
95.04933	1.0
95.08601	0.6
99.04435	0.6
103.05477	2.8
121.02876	1.0
121.06501	68.5
122.03239	0.7
125.92802	0.6
138.55763	0.5
151.89122	0.6
320.09152	1.1
321.09900	1.0
322.07092	0.7
322.10571	0.8
334.11084	1.1
336.12308	10.7
337.12579	0.9
356.50259	0.6
368.25815	11.4
386.26880	33.0
404.28055	3.1
442.29388	1.3
460.30435	13.6
478.31607	24.7
598.37427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34439	0.5
90.11237	0.5
91.05479	2.9
92.34264	0.5
93.07037	4.9
95.04933	1.0
95.08601	0.6
99.04435	0.6
103.05477	2.8
121.02876	1.0
121.06501	68.5
122.03239	0.7
125.92802	0.6
138.55763	0.5
151.89122	0.6
320.09152	1.1
321.09900	1.0
322.07092	0.7
322.10571	0.8
334.11084	1.1
336.12308	10.7
337.12579	0.9
356.50259	0.6
368.25815	11.4
386.26880	33.0
404.28055	3.1
442.29388	1.3
460.30435	13.6
478.31607	24.7
598.37427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01888	5.9
55.05516	1.8
57.06819	1.5
57.07079	21.2
67.05515	5.9
69.03436	18.5
69.07063	5.0
71.04986	8.9
71.08633	17.0
73.02910	4.5
75.45664	0.6
76.84362	0.7
79.05476	1.0
81.03423	23.5
81.07061	13.3
83.08638	9.2
85.02914	9.2
85.10194	12.4
91.05471	1.2
91.80608	0.8
95.08601	20.2
96.08936	0.8
97.02887	23.5
97.10187	5.7
99.04458	57.0
103.59652	0.8
105.07034	1.1
107.08618	1.5
109.02878	41.7
109.10186	8.3
115.03961	1.0
123.11707	4.5
125.68676	0.8
126.98601	0.8
127.03910	68.7
131.96320	0.7
133.10123	1.5
145.04924	6.0
146.68376	0.9
176.28355	0.7
239.23662	5.3
257.24646	1.1
310.07294	0.9
311.25955	1.1
319.08411	1.2
320.09131	36.0
320.12750	1.6
334.10803	1.7
338.06500	12.2
355.24823	0.9
365.26782	1.1
383.27908	19.4
401.28946	100.0
416.09686	0.9
598.31738	9.9
598.40222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.39182	0.4
54.58686	0.4
57.07079	0.9
61.17170	0.4
64.80919	0.4
69.03433	6.6
71.04990	1.8
71.08625	0.9
81.03417	6.6
81.07059	0.9
83.08604	0.6
85.02900	12.0
85.10194	0.7
88.97076	0.4
95.08611	1.7
97.02893	100.0
97.10194	0.5
99.04460	3.7
107.34655	0.4
109.02898	4.9
109.92243	0.4
123.11749	0.6
127.03912	12.2
127.04833	0.6
145.04970	6.8
286.89810	0.5
299.83121	0.5
318.07724	0.5
320.09143	13.4
374.29044	0.4
401.28967	27.7
598.31165	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.4
55.01853	2.2
55.05509	2.5
57.03437	3.1
57.07080	30.3
60.63708	1.1
65.99115	1.4
66.09832	1.2
67.05499	6.5
69.03104	2.1
69.03435	29.6
69.07068	6.1
71.04979	2.8
71.08636	22.2
73.02908	2.2
73.10915	1.2
81.03423	22.9
81.07059	17.0
83.08621	11.6
85.02906	49.5
85.10169	11.7
95.08607	23.0
97.02888	24.3
97.10175	5.8
99.04467	9.6
109.02883	18.8
109.10151	8.4
111.11765	1.5
123.11709	7.2
127.03905	51.7
145.04973	14.8
173.86682	1.4
180.08696	2.3
189.78001	1.6
239.23622	7.1
245.37984	1.5
319.08084	1.9
320.09183	100.0
334.10757	1.6
383.27930	20.1
401.28931	89.3
440.86450	1.5
512.21826	1.6
588.00159	1.8
598.31653	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47251	0.9
52.19872	0.7
53.03953	1.6
55.01874	3.7
56.11029	0.8
57.03433	0.7
57.07082	14.6
67.05505	7.3
69.03436	13.4
69.07063	5.2
71.04981	4.9
71.08640	15.7
73.02912	4.7
81.03420	17.6
81.07078	7.6
82.28403	0.8
83.07450	0.8
83.08633	7.4
85.02898	8.4
85.10181	8.3
92.21545	1.0
95.08595	13.0
97.02894	23.0
97.10165	3.9
99.03809	1.7
99.04459	45.0
109.02876	27.4
109.10160	6.5
123.11680	2.0
127.03912	52.6
145.04922	6.6
188.20303	1.0
239.23573	4.6
292.09775	1.8
320.09167	100.0
327.97620	1.1
338.06543	5.3
383.27847	16.8
401.28961	72.2
598.31714	24.1
620.82318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.5
57.03442	9.4
60.51024	2.1
62.22687	1.7
67.05511	42.8
69.07062	18.9
79.05492	12.1
81.07069	42.0
83.04996	9.2
83.08631	12.8
89.02383	1.9
91.05482	9.3
92.21584	2.5
93.07030	20.4
95.08603	33.5
97.06525	4.9
97.10157	4.3
98.62239	1.8
105.07040	8.5
107.04990	3.2
107.08586	13.9
109.10150	19.9
111.04442	31.0
111.08090	9.7
111.11719	2.9
119.08595	13.5
120.01942	1.8
121.06534	2.7
121.10146	42.2
123.11707	3.6
124.83063	1.9
125.06055	2.3
131.08580	4.5
133.10161	2.7
135.11702	24.4
137.06004	4.3
139.11145	13.7
145.10106	16.6
149.09637	4.4
153.12756	21.8
163.11172	46.8
173.09622	7.9
181.12212	32.6
185.11691	2.4
191.10667	28.6
209.11740	8.3
227.12730	20.1
245.13812	12.2
263.23718	3.5
283.15405	40.6
301.16428	47.7
312.53638	2.0
337.27383	53.6
374.32507	2.1
377.15762	2.1
378.37488	1.9
563.39368	100.0
598.30969	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43397	0.3
54.20720	0.3
54.83746	0.3
55.05513	0.4
56.05037	2.9
61.72070	0.3
67.05505	0.9
69.07081	2.6
81.07059	0.9
83.08623	0.5
84.08163	0.3
91.05534	0.4
92.20891	0.4
93.07030	0.7
95.08597	1.8
96.08129	0.5
101.34149	0.4
107.08597	0.4
109.10156	8.0
111.08051	0.7
111.11698	0.7
119.08559	1.6
135.11668	0.6
136.11209	0.7
137.09610	2.2
149.13248	0.8
152.14302	0.8
153.12737	0.7
153.13840	5.1
154.12268	100.0
155.10710	0.5
166.15874	1.4
168.13881	0.5
170.11717	0.4
170.58693	0.3
171.14915	46.3
172.13307	2.0
173.11722	0.6
182.15407	3.0
192.31332	0.4
195.18596	0.5
196.16974	14.8
198.14929	2.9
199.18011	0.5
210.18513	7.5
212.16516	3.2
213.19653	2.0
220.73721	0.4
224.20094	3.3
333.25439	2.7
334.23755	0.8
336.12369	0.4
347.26965	2.6
348.25348	1.4
351.26486	3.0
352.24646	0.6
365.28000	3.4
369.27493	32.2
383.29025	27.8
411.32028	2.2
425.33878	5.4
427.45667	0.4
550.70685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19339	1.3
51.93715	1.2
56.05035	3.7
59.89521	1.4
67.05499	1.7
69.07069	1.4
76.63843	1.4
81.07058	6.9
81.80328	1.5
83.08603	1.4
85.10081	1.4
85.35081	1.3
85.93705	1.3
89.91407	1.5
93.07069	1.6
95.08600	3.5
109.10120	7.0
112.09411	1.5
140.10730	1.7
151.11073	1.7
151.49785	1.6
153.13815	2.4
154.12260	64.3
167.15424	6.3
168.13832	100.0
170.11769	2.0
171.14890	29.0
185.16496	35.2
194.89430	1.5
196.16968	9.6
224.20026	16.8
320.09201	2.4
334.10895	2.2
337.24933	2.5
355.25937	36.3
369.27484	9.4
379.29294	2.0
383.28976	9.3
393.31006	5.9
397.30719	12.6
411.32227	36.1
425.33643	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67681	0.5
52.60357	0.6
56.57620	0.6
56.96571	2.8
68.79105	0.7
73.00895	0.6
78.07707	0.7
85.02912	0.7
94.72703	0.6
98.97588	5.0
99.04474	1.2
110.97604	2.5
116.98600	1.3
120.08136	1.0
128.98607	1.2
146.99603	1.2
147.04480	0.7
157.01758	4.4
158.99678	1.3
161.01210	1.3
170.99585	0.8
175.02782	13.6
177.00780	1.5
189.00700	1.3
193.03860	7.1
199.02788	16.1
211.02823	2.6
217.03824	46.9
219.01796	5.6
229.03844	7.9
235.04854	10.7
237.02855	6.7
241.03790	1.0
247.02742	0.7
247.04865	5.1
259.04913	4.0
277.06000	0.8
319.06982	100.0
337.08023	64.6
360.09650	1.0
599.18506	69.8
599.25848	2.8
607.16046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67681	0.5
52.60357	0.6
56.57620	0.6
56.96571	2.8
68.79105	0.7
73.00895	0.6
78.07707	0.7
85.02912	0.7
94.72703	0.6
98.97588	5.0
99.04474	1.2
110.97604	2.5
116.98600	1.3
120.08136	1.0
128.98607	1.2
146.99603	1.2
147.04480	0.7
157.01758	4.4
158.99678	1.3
161.01210	1.3
170.99585	0.8
175.02782	13.6
177.00780	1.5
189.00700	1.3
193.03860	7.1
199.02788	16.1
211.02823	2.6
217.03824	46.9
219.01796	5.6
229.03844	7.9
235.04854	10.7
237.02855	6.7
241.03790	1.0
247.02742	0.7
247.04865	5.1
259.04913	4.0
277.06000	0.8
319.06982	100.0
337.08023	64.6
360.09650	1.0
599.18506	69.8
599.25848	2.8
607.16046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72515	0.2
53.42877	0.2
58.06568	0.6
64.93793	0.2
70.06602	4.2
70.82693	0.2
85.02820	0.3
86.09661	0.5
95.04903	0.3
97.02841	0.3
99.04398	1.1
112.08649	1.3
120.08038	0.6
120.37421	0.3
129.10234	0.3
145.02834	0.6
145.07561	1.2
147.04349	0.5
149.06003	0.3
157.10788	0.6
170.49207	0.3
171.11270	0.3
177.05475	3.8
183.14888	0.6
207.06570	0.3
212.10287	0.3
225.17059	2.2
225.70178	0.3
242.19765	0.6
291.08627	2.0
320.09271	2.4
321.09552	2.6
336.12274	0.4
337.11908	1.5
338.10400	0.3
339.10565	1.1
347.13837	0.6
359.13858	2.1
371.70853	0.3
375.13379	1.6
377.14963	11.2
393.18127	0.3
395.58917	0.3
422.14700	0.5
436.16556	1.1
437.17099	100.0
453.13745	0.5
599.22406	54.7
599.38562	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62134	0.3
52.95209	0.3
63.80854	0.3
65.47036	0.3
67.88632	0.2
70.06487	0.5
82.25161	0.4
83.43430	0.4
99.04306	0.4
114.61976	0.3
119.47140	0.4
127.03796	0.5
129.64076	0.3
134.39716	0.3
145.49350	0.4
177.05251	1.3
274.06860	0.3
292.09348	1.3
293.09872	1.3
320.09195	16.7
321.09503	28.0
337.11728	1.3
359.13797	1.5
375.13376	1.2
377.14981	11.7
391.16476	0.7
426.84610	0.4
436.16406	0.7
437.17081	100.0
439.23715	0.4
599.22235	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62134	0.3
52.95209	0.3
63.80854	0.3
65.47036	0.3
67.88632	0.2
70.06487	0.5
82.25161	0.4
83.43430	0.4
99.04306	0.4
114.61976	0.3
119.47140	0.4
127.03796	0.5
129.64076	0.3
134.39716	0.3
145.49350	0.4
177.05251	1.3
274.06860	0.3
292.09348	1.3
293.09872	1.3
320.09195	16.7
321.09503	28.0
337.11728	1.3
359.13797	1.5
375.13376	1.2
377.14981	11.7
391.16476	0.7
426.84610	0.4
436.16406	0.7
437.17081	100.0
439.23715	0.4
599.22235	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68780	0.3
99.04420	0.8
145.02768	2.0
165.71371	0.4
174.53035	0.3
175.15257	0.4
177.05437	4.0
337.11856	0.6
339.10492	0.6
359.09650	0.3
359.13934	1.2
375.13327	1.6
377.14944	11.4
383.23822	0.3
391.16025	0.4
436.16183	0.7
437.17053	100.0
599.22314	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2497
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
50.59838	0.8
51.84753	0.9
54.02104	0.9
66.01673	1.0
67.05516	1.8
75.68271	1.1
81.07053	4.8
82.85455	1.0
93.07034	2.5
105.07036	1.1
107.08555	1.4
109.10223	1.3
115.48727	1.0
119.08528	2.1
121.10114	2.5
131.08566	2.4
135.10654	1.1
145.10101	2.1
159.11658	1.4
169.88084	1.2
174.40469	1.2
183.11537	1.1
306.07593	1.9
307.07932	2.3
336.12167	1.6
395.22147	1.5
423.21808	2.4
449.23227	1.1
454.23618	6.0
477.22913	2.2
478.23996	1.6
486.22726	2.3
506.23361	11.8
511.22623	2.1
526.22601	1.6
527.26331	1.6
535.19379	2.1
537.25208	9.9
539.22925	7.3
555.25684	8.4
571.24646	2.3
599.24908	100.0
599.40216	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59838	0.8
51.84753	0.9
54.02104	0.9
66.01673	1.0
67.05516	1.8
75.68271	1.1
81.07053	4.8
82.85455	1.0
93.07034	2.5
105.07036	1.1
107.08555	1.4
109.10223	1.3
115.48727	1.0
119.08528	2.1
121.10114	2.5
131.08566	2.4
135.10654	1.1
145.10101	2.1
159.11658	1.4
169.88084	1.2
174.40469	1.2
183.11537	1.1
306.07593	1.9
307.07932	2.3
336.12167	1.6
395.22147	1.5
423.21808	2.4
449.23227	1.1
454.23618	6.0
477.22913	2.2
478.23996	1.6
486.22726	2.3
506.23361	11.8
511.22623	2.1
526.22601	1.6
527.26331	1.6
535.19379	2.1
537.25208	9.9
539.22925	7.3
555.25684	8.4
571.24646	2.3
599.24908	100.0
599.40216	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.319
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
55.05318	0.7
55.05529	11.2
57.03441	5.9
57.07090	6.9
60.74874	0.7
62.23502	0.8
67.05517	15.1
69.07076	22.8
71.08630	3.5
71.81334	0.7
79.05500	3.9
79.88560	0.8
81.03426	3.5
81.07064	16.8
83.08634	17.4
85.10185	1.5
90.47013	0.8
92.21586	1.1
93.07051	6.9
95.08609	17.4
97.06525	1.3
97.10186	8.4
98.98473	27.5
102.11568	0.7
107.08587	7.3
109.02876	3.3
109.10154	9.3
111.08086	1.0
111.11722	3.0
115.99230	0.7
121.10154	9.7
123.11692	3.1
125.09554	0.7
133.38628	0.8
135.11696	8.9
149.13235	1.5
153.12741	0.9
155.01038	21.5
161.34521	0.7
165.30020	0.7
173.02170	1.0
265.25302	5.0
317.06421	3.5
335.07553	1.2
339.28943	100.0
419.25479	1.0
427.30783	1.3
563.29657	11.1
581.30872	4.5
599.28119	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	0.8
55.05523	11.6
55.53474	0.7
57.03433	5.0
57.07090	6.1
59.11621	0.7
67.05511	14.8
69.07066	24.8
71.04958	0.7
71.08633	4.1
75.01523	0.8
79.05499	4.5
81.03428	3.6
81.07066	16.1
81.95538	1.0
83.08627	18.6
85.06507	1.0
85.10179	0.9
91.05496	1.0
93.07038	7.9
95.08611	19.9
97.06537	3.7
97.10168	15.2
98.98470	28.4
102.70325	0.8
107.08604	5.7
108.49934	0.8
109.02878	6.2
109.10161	9.5
111.08092	1.9
111.11700	3.6
119.08530	0.9
120.66200	0.8
121.10146	10.4
123.11697	1.9
135.11708	7.3
137.13235	0.8
139.11212	1.0
149.13246	2.0
155.01030	20.0
163.14867	1.0
173.02100	2.0
233.92409	0.9
247.24205	1.2
261.03503	1.2
265.25269	4.5
317.06296	3.7
334.10788	0.9
335.07101	3.0
339.28937	100.0
377.39853	0.8
419.25513	3.2
427.30469	1.8
442.09427	1.1
451.09155	0.9
455.78458	0.9
508.98846	0.9
525.82837	0.9
563.29919	9.3
581.30591	5.3
599.28113	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.2
57.03431	7.9
57.07088	8.5
62.32778	1.0
64.35387	0.9
67.05502	12.0
69.07069	27.0
71.08625	4.8
71.24026	1.1
79.05492	6.2
81.07062	15.9
83.08626	21.9
85.06540	1.6
85.10174	2.2
86.47995	1.2
88.27843	1.1
89.72903	1.1
93.07047	9.4
95.08611	16.1
97.06546	2.0
97.10145	11.7
98.98501	8.8
107.08578	8.2
109.02882	1.6
109.10181	9.6
115.07587	1.2
121.10128	11.1
135.11700	6.5
149.13289	1.3
155.01036	2.1
227.18532	1.6
261.69022	1.1
265.25528	1.2
275.18634	1.2
298.86938	1.2
306.07776	1.4
320.08829	1.6
339.28915	100.0
349.02243	1.3
358.31348	1.2
587.43475	1.2
599.27930	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91054	0.5
55.05273	1.2
55.05516	11.8
56.45293	0.4
57.03440	4.8
57.07082	7.3
60.81575	0.5
67.05506	12.1
69.03429	0.6
69.07069	25.3
71.04997	0.7
71.08633	3.3
75.04489	0.8
79.05494	5.1
81.03426	3.2
81.07063	16.5
83.08624	20.5
85.02898	0.7
85.06547	0.9
85.10179	1.1
91.05473	0.7
93.07034	7.2
95.08600	18.3
97.06554	1.4
97.10159	12.2
98.98460	30.3
107.08591	6.3
109.02892	5.2
109.10165	8.4
111.08087	1.1
111.11707	3.0
121.10156	8.6
123.11684	2.8
123.12496	0.6
125.09573	1.1
127.03934	0.8
135.11668	8.3
137.13257	0.7
149.13249	4.5
155.01033	21.6
170.95326	0.6
173.02124	1.1
245.90887	0.6
247.24336	0.9
261.03656	1.2
265.25269	4.2
279.08340	0.8
306.07556	3.2
307.07956	2.9
308.09177	1.1
309.09363	1.0
317.06406	3.6
320.09106	0.7
335.07483	2.7
339.28931	100.0
362.76511	0.7
369.10294	0.7
419.25546	3.6
427.30652	2.9
532.11377	0.8
563.29889	11.4
581.30890	4.4
599.28369	10.0
599.47424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05318	0.7
55.05529	11.2
57.03441	5.9
57.07090	6.9
60.74874	0.7
62.23502	0.8
67.05517	15.1
69.07076	22.8
71.08630	3.5
71.81334	0.7
79.05500	3.9
79.88560	0.8
81.03426	3.5
81.07064	16.8
83.08634	17.4
85.10185	1.5
90.47013	0.8
92.21586	1.1
93.07051	6.9
95.08609	17.4
97.06525	1.3
97.10186	8.4
98.98473	27.5
102.11568	0.7
107.08587	7.3
109.02876	3.3
109.10154	9.3
111.08086	1.0
111.11722	3.0
115.99230	0.7
121.10154	9.7
123.11692	3.1
125.09554	0.7
133.38628	0.8
135.11696	8.9
149.13235	1.5
153.12741	0.9
155.01038	21.5
161.34521	0.7
165.30020	0.7
173.02170	1.0
265.25302	5.0
317.06421	3.5
335.07553	1.2
339.28943	100.0
419.25479	1.0
427.30783	1.3
563.29657	11.1
581.30872	4.5
599.28119	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.2
57.03431	7.9
57.07088	8.5
62.32778	1.0
64.35387	0.9
67.05502	12.0
69.07069	27.0
71.08625	4.8
71.24026	1.1
79.05492	6.2
81.07062	15.9
83.08626	21.9
85.06540	1.6
85.10174	2.2
86.47995	1.2
88.27843	1.1
89.72903	1.1
93.07047	9.4
95.08611	16.1
97.06546	2.0
97.10145	11.7
98.98501	8.8
107.08578	8.2
109.02882	1.6
109.10181	9.6
115.07587	1.2
121.10128	11.1
135.11700	6.5
149.13289	1.3
155.01036	2.1
227.18532	1.6
261.69022	1.1
265.25528	1.2
275.18634	1.2
298.86938	1.2
306.07776	1.4
320.08829	1.6
339.28915	100.0
349.02243	1.3
358.31348	1.2
587.43475	1.2
599.27930	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39341	0.5
55.05521	8.9
57.03447	5.0
57.07082	8.0
62.07374	0.5
67.05509	14.4
69.06705	0.9
69.07069	23.8
69.07441	0.9
71.04998	0.7
71.08630	3.8
79.05505	5.6
81.03416	3.9
81.06618	0.7
81.07063	15.8
83.08132	0.7
83.08625	19.5
84.93564	0.5
85.10189	2.0
86.32323	0.5
88.07745	0.5
91.05463	0.6
93.07044	7.2
95.08608	18.6
97.06517	2.3
97.10163	11.9
98.98469	32.5
99.08092	0.6
107.08588	6.9
109.02886	4.6
109.10154	9.0
111.08109	1.2
111.11726	4.2
121.10139	9.1
123.11707	2.8
125.09633	0.7
127.03944	0.7
135.11710	9.7
138.91402	0.5
149.13263	3.0
155.01044	22.4
163.06010	0.7
163.14830	1.9
163.74707	0.5
173.02142	2.0
247.24153	0.8
261.03720	1.0
265.25272	4.0
283.29599	0.5
304.85330	0.5
306.07422	0.6
307.08188	0.6
317.06400	2.4
335.07391	1.2
339.28934	100.0
419.25696	3.1
427.30374	3.4
499.53177	0.6
563.29846	11.8
581.30969	6.5
599.27936	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.4
57.03432	6.5
57.07080	6.3
64.37105	0.6
67.05509	13.9
68.71930	0.6
69.07069	23.6
71.04985	1.2
71.08625	3.9
72.63525	0.6
79.05482	3.6
81.03424	5.4
81.07059	17.9
83.08624	19.9
85.10155	1.5
90.36414	0.7
92.04818	0.8
93.07043	7.7
95.08605	18.8
97.06533	1.4
97.10168	12.6
98.98466	26.6
99.04436	0.8
99.97478	0.7
107.08578	5.1
109.02000	0.6
109.02868	5.7
109.10164	8.3
111.08088	1.0
111.11713	4.1
121.10147	10.8
123.11704	1.3
125.09604	1.0
127.48587	0.7
135.11700	9.0
139.11150	0.7
139.86331	0.6
139.96962	0.6
149.13258	3.1
155.01031	23.8
161.74803	0.7
163.05965	0.9
163.14848	0.8
173.02138	1.0
173.33568	0.8
204.82616	0.7
232.59250	0.7
247.24367	1.1
265.25278	3.7
317.06140	1.1
335.07483	1.2
339.28928	100.0
419.25314	2.4
427.30328	2.8
563.29883	11.8
581.31097	6.3
599.27991	5.7
599.49768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77290	0.6
53.03953	5.6
63.35521	0.7
66.99550	0.7
68.79232	0.8
69.03425	3.0
71.04978	0.8
76.78934	0.7
81.03421	10.4
81.07067	3.5
85.02900	6.4
93.31725	0.8
95.08588	4.0
97.02876	3.4
99.04454	100.0
105.07022	1.5
107.08580	1.6
109.02855	1.3
109.10157	3.5
114.09185	1.1
117.05493	11.4
119.08563	3.6
121.10134	3.2
123.11719	1.2
123.52237	0.8
125.03423	0.8
127.03889	1.6
131.08554	1.2
133.10115	3.7
135.11679	1.1
145.10143	3.8
147.04472	0.8
147.11671	3.4
151.03857	4.8
155.93980	0.8
157.10085	1.0
159.11681	5.0
161.13220	1.8
171.11646	1.2
173.13271	1.0
177.12653	1.2
181.27690	0.8
182.22920	0.8
187.07526	1.3
191.07068	1.8
199.14838	1.5
201.16423	1.6
211.14719	1.2
246.94388	0.8
257.22556	1.5
261.09647	6.1
267.20993	3.7
273.22064	1.1
285.22095	19.8
303.23181	17.1
321.09778	1.8
321.24146	3.4
334.10825	1.8
336.12317	7.3
338.10251	1.0
339.12381	9.0
339.25183	7.8
414.17233	0.9
536.02930	0.9
581.33563	1.2
585.00183	0.9
587.70636	0.8
598.09924	0.8
599.18445	1.7
599.69775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.4
55.05515	4.9
57.07075	1.6
59.38371	0.6
67.05491	1.0
69.03420	7.0
69.07067	1.3
71.04996	1.9
71.08643	1.6
81.03415	14.8
81.07048	3.5
83.04986	19.9
85.02900	8.7
88.07668	0.8
91.05466	0.9
95.04976	1.3
95.08585	1.3
97.02904	8.6
99.04457	100.0
103.34430	0.7
109.02865	4.1
109.10151	1.7
117.05493	4.0
121.10174	1.1
125.08082	0.8
126.99490	0.8
127.03876	6.3
142.45969	0.8
145.04977	3.9
167.60753	0.7
205.44171	0.7
243.08603	1.4
317.27914	0.9
339.28995	1.7
523.04852	0.9
599.39465	4.8
599.49500	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	4.9
55.05521	8.5
57.07071	5.3
58.06602	4.4
67.05508	18.4
69.03419	7.3
69.07061	9.3
70.19298	4.6
71.08612	4.4
73.02908	7.3
79.05492	9.3
81.03429	20.0
81.07065	17.7
83.08613	9.0
88.07642	23.7
91.96327	3.8
93.07056	7.4
95.08588	7.7
97.02885	5.9
97.10186	6.8
99.04461	89.2
105.07012	4.8
107.08611	10.2
109.10155	8.4
121.10163	7.0
122.08114	6.5
122.59818	4.2
123.11739	6.1
126.08476	4.6
133.10120	5.4
135.08127	5.2
135.11732	8.4
145.10309	4.1
147.02275	4.3
161.13179	4.1
204.02797	3.9
242.24709	34.4
243.08609	7.6
256.26367	9.0
259.16968	6.5
277.21545	4.5
290.26901	49.9
324.69113	4.3
327.23349	4.9
345.24387	19.1
363.24979	16.3
368.01181	4.9
399.54825	4.6
443.27734	6.9
461.28897	16.2
462.25186	4.4
470.94888	5.6
479.30042	5.6
551.47900	8.9
599.42200	6.6
599.49951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03548	1.9
55.05531	2.4
58.47676	2.0
62.17759	1.7
69.53591	1.7
75.32519	2.2
88.85126	2.1
108.72894	2.0
115.36256	2.2
146.81677	2.0
178.05977	5.3
256.26318	2.8
259.06064	3.0
290.26974	3.5
581.06097	2.5
599.39374	100.0
599.49188	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91722	0.2
75.45919	0.2
77.36189	0.2
88.08747	0.2
149.06024	0.3
167.06999	0.5
223.99821	0.3
249.71521	0.3
266.08167	0.4
269.39899	0.3
289.85080	0.3
294.07797	0.4
296.09152	1.5
308.05481	0.4
322.07031	0.6
323.07727	0.3
324.08627	25.7
331.44748	0.3
350.06625	2.8
351.07776	0.3
352.08127	100.0
514.13239	1.1
556.14398	0.6
600.13470	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82301	0.3
69.71917	0.3
75.46484	0.3
84.33629	0.3
85.02888	0.6
86.87482	0.3
92.21515	0.7
97.02849	0.5
98.54433	0.3
127.24999	0.3
188.37138	0.3
211.17427	0.3
256.97946	0.4
266.79239	0.5
290.07999	0.5
294.07669	0.5
296.05524	2.2
304.06027	1.5
310.07083	0.6
311.07846	39.7
318.07565	2.3
319.08316	5.2
320.08963	2.4
321.09457	0.6
325.09372	0.7
326.10199	100.0
334.10706	9.2
335.11041	2.1
336.12094	1.3
337.12677	0.4
596.29102	0.5
600.17041	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04280	0.6
92.21547	0.8
99.04472	5.1
198.80995	0.7
207.06601	0.9
265.51270	0.7
296.09351	4.0
307.08432	2.8
309.10120	1.0
310.07071	29.3
324.08533	1.4
325.09442	100.0
331.99261	0.8
340.08063	1.6
340.11783	67.3
600.20734	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46265	0.7
73.80123	0.7
113.15319	0.8
143.77765	0.8
162.82700	0.7
167.07043	1.3
192.28351	0.7
262.25610	0.8
296.09250	3.1
301.69025	1.0
307.08572	2.6
310.07059	28.3
320.09348	1.5
324.08792	1.3
325.09436	100.0
336.12183	0.9
339.11075	1.6
340.11771	74.5
364.13757	0.8
404.90201	0.9
600.20721	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09440	0.2
66.64902	0.2
81.00257	0.2
95.44310	0.2
156.56064	0.2
249.11198	0.3
284.26239	0.2
292.09601	3.1
304.09796	0.3
306.07712	0.4
308.09134	0.8
308.12802	0.7
320.09186	10.1
321.09915	9.9
322.10379	0.3
336.12283	100.0
570.38647	0.2
600.24475	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.2
65.37492	0.1
78.30458	0.2
81.23849	0.1
91.81749	0.2
122.05865	0.2
156.99586	0.2
200.11862	0.2
225.79796	0.2
243.91936	0.2
262.10727	0.8
274.94348	0.2
292.09659	7.0
304.09860	1.3
306.07602	2.1
307.08527	0.2
320.05447	0.3
320.09186	8.7
321.09955	26.7
322.10596	1.2
336.12299	100.0
338.13809	0.3
438.12149	0.3
448.82968	0.2
600.24500	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69233	0.3
67.27295	0.3
140.74464	0.3
249.11116	1.9
292.09622	4.8
304.09543	0.4
306.07544	1.2
308.09155	0.7
320.09186	8.5
321.09976	15.5
322.10498	0.7
336.12289	100.0
338.13837	0.4
600.24487	39.6
609.99310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39658	0.1
56.20312	0.2
61.29928	0.2
69.84267	0.2
156.82433	0.2
246.23187	0.2
249.11215	0.4
292.09613	6.2
304.09702	1.0
306.07724	1.5
320.09183	7.4
321.09949	21.5
336.12283	100.0
600.24377	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89899	1.7
76.56871	2.2
86.07711	2.2
92.21576	2.7
116.59052	3.1
165.16528	2.5
292.09558	5.8
320.09308	5.8
321.09937	19.2
336.12308	100.0
377.13281	2.9
600.24414	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38828	0.2
56.13740	0.2
59.02927	0.3
69.69021	0.3
73.10267	0.3
140.84319	0.3
153.50720	0.3
154.85764	0.2
156.73932	0.3
228.36954	0.3
264.42532	0.3
292.09656	6.8
304.09726	0.5
306.07635	2.2
320.09167	8.4
321.09921	23.0
336.12274	100.0
453.91769	0.3
600.24384	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67318	0.2
57.85934	0.2
59.82956	0.2
82.24683	0.2
102.36279	0.2
126.13306	0.2
149.89972	0.2
278.07861	0.3
292.09625	7.5
304.09711	1.3
306.07635	2.4
320.09177	8.1
321.09943	26.7
324.06808	0.2
336.12280	100.0
354.24377	0.2
364.29071	0.3
600.24396	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37569	0.1
57.91822	0.1
111.24529	0.2
120.13412	0.2
261.03287	0.2
275.09442	0.2
278.07846	0.2
292.09607	6.6
304.09476	1.2
306.07721	1.9
307.08362	0.2
308.09286	0.2
320.05389	0.3
320.09158	10.4
321.09933	23.2
322.10577	0.8
336.12277	100.0
421.33035	0.2
434.22083	0.2
437.16467	0.2
535.29205	0.2
557.11951	0.2
582.22778	0.3
600.24426	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40351	0.2
65.36003	0.2
69.94238	0.2
118.60780	0.2
145.02771	0.6
177.05508	2.5
205.09769	0.3
220.63388	0.2
275.09552	0.3
292.09656	6.6
304.09760	0.6
306.07590	1.6
307.24655	0.3
320.09183	8.1
321.09949	23.3
336.12274	100.0
600.24390	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15589	0.2
58.44878	0.3
60.81430	0.3
60.95634	0.2
66.29016	0.3
67.41982	0.2
72.56084	0.3
134.64424	0.3
154.68118	0.3
176.06122	0.4
249.11255	0.7
292.09625	4.1
293.10385	0.3
306.07550	0.7
308.09119	0.6
308.12500	0.4
320.09125	7.1
321.09943	15.5
322.10712	0.4
336.12289	100.0
379.83072	0.3
600.24463	35.1
618.40704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32671	0.1
54.69421	0.2
55.68327	0.1
56.80385	0.1
57.10326	0.2
67.97456	0.2
72.89691	0.2
77.26955	0.1
85.02854	0.2
92.21426	0.2
93.97458	0.2
99.04376	0.2
116.78225	0.2
120.58648	0.2
121.06451	0.2
149.05919	0.6
151.44054	0.2
160.68759	0.2
175.07489	0.3
249.11235	2.1
262.10675	2.0
291.08951	0.2
292.09659	7.1
304.05914	0.1
304.09653	1.3
306.07684	2.3
307.08490	0.2
320.09146	7.9
321.09943	25.5
322.10635	1.7
336.12280	100.0
338.13828	0.2
340.11844	0.3
346.14368	0.2
377.16156	0.2
600.24512	39.8
600.33301	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40351	0.2
65.36003	0.2
69.94238	0.2
118.60780	0.2
145.02771	0.6
177.05508	2.5
205.09769	0.3
220.63388	0.2
275.09552	0.3
292.09656	6.6
304.09760	0.6
306.07590	1.6
307.24655	0.3
320.09183	8.1
321.09949	23.3
336.12274	100.0
600.24390	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39907	0.3
79.89440	0.3
94.54347	0.3
147.01410	0.3
181.75111	0.4
192.32910	0.3
200.99721	0.3
249.11188	2.1
259.39297	0.3
261.07797	0.3
292.09677	7.4
304.09598	0.7
306.07730	2.2
320.09122	7.5
321.09949	26.5
336.12280	100.0
377.92032	0.3
483.62299	0.4
600.24396	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
79.60726	0.3
86.79988	0.2
87.80138	0.2
284.21347	0.3
292.09631	6.4
304.09641	0.9
306.07706	2.3
320.09207	6.7
321.09964	25.9
335.11029	0.3
336.12296	100.0
600.24414	38.0
600.34619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93327	0.4
52.23409	0.4
66.28667	0.4
77.41323	0.5
85.02905	0.9
85.69373	0.4
87.17100	0.4
93.69303	0.5
96.48766	0.5
104.03513	0.4
107.04971	0.6
113.08739	0.6
128.06310	0.5
129.07021	1.6
131.08565	2.3
135.99826	0.4
141.06891	0.5
143.08649	0.6
144.05595	0.6
144.98686	0.5
149.00577	0.6
151.07549	0.5
157.06493	0.9
159.08047	10.3
161.09595	2.1
165.09134	2.3
167.07016	1.0
171.07983	1.0
173.05948	1.2
179.07106	0.5
181.08609	0.6
187.07530	11.5
189.09114	4.6
191.07047	2.2
194.39746	0.5
199.07500	0.7
204.07796	2.1
205.08789	0.5
208.09695	2.7
219.10156	2.2
220.04269	2.5
221.05020	2.5
221.11667	2.1
231.10097	4.4
237.11295	0.7
238.05244	2.4
239.06111	0.9
249.11205	100.0
267.12204	6.4
291.10205	0.6
297.11075	0.7
319.08395	0.7
320.09067	0.8
321.09528	0.8
322.11182	0.9
334.10669	3.0
335.11200	0.8
336.11942	1.7
338.14090	0.8
340.07346	0.6
353.08362	1.1
418.09506	2.0
419.10400	1.1
436.10773	0.8
569.14539	3.5
600.18835	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60898	0.3
57.04894	0.4
63.97021	0.4
150.15430	0.4
292.09647	11.2
304.09760	0.9
306.07693	3.1
320.09149	11.7
321.09940	36.7
336.12274	100.0
390.16946	0.8
535.04974	0.5
600.29541	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
85.80946	0.4
99.07510	0.4
109.76429	0.4
157.45979	0.5
226.99014	0.4
292.09668	10.4
304.09723	1.0
306.07663	3.4
320.09131	10.5
321.09937	37.6
334.09976	0.5
336.12277	100.0
582.77759	0.4
600.29553	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61052	0.4
69.64867	0.3
88.57673	0.4
98.34978	0.3
268.51202	0.4
292.09662	9.7
304.04202	0.4
304.09589	2.4
306.07513	3.0
320.09155	10.9
321.09921	34.8
336.12250	100.0
337.09280	0.5
381.88217	0.4
390.16699	0.4
511.99402	0.4
600.29492	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.332
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41362	0.5
74.06051	0.5
74.63249	0.4
77.11662	0.5
77.59844	0.5
83.34688	0.5
84.28030	0.5
119.45375	0.5
206.76714	0.5
208.51495	0.5
273.65112	0.5
290.08109	0.7
292.09753	11.3
308.09109	11.8
318.07513	3.4
320.09177	100.0
600.33307	30.4
600.47693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72911	0.2
56.08636	0.2
61.52985	0.2
75.49415	0.2
79.99873	0.2
88.92783	0.2
102.89703	0.2
107.47336	0.2
111.64526	0.2
111.78765	0.2
119.35254	0.2
123.44245	0.2
187.87320	0.2
279.08743	0.5
294.11264	0.5
307.08389	12.0
321.09280	0.3
322.10727	100.0
336.12271	0.3
375.37030	0.2
416.72180	0.3
457.36823	0.2
473.95151	0.3
600.33228	29.3
600.49426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69505	0.7
83.34031	0.6
84.43906	0.6
86.02454	0.7
92.21539	0.8
94.84901	0.6
111.39496	0.6
292.09705	11.5
306.27536	0.9
308.09235	10.6
318.07642	1.0
320.09180	100.0
600.33197	31.3
600.47467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.5
67.05448	1.4
68.54925	0.3
69.07021	0.5
81.06993	2.1
83.08597	0.4
84.48196	0.3
91.05427	0.6
93.06979	0.7
95.08537	1.7
107.08541	0.5
109.10115	0.5
119.08493	0.4
121.10092	0.8
131.08507	0.6
135.11658	0.6
167.10570	0.4
204.38957	0.4
236.14558	0.4
238.01869	0.4
266.43332	0.4
278.08020	0.8
279.08868	0.9
306.07645	0.6
307.08362	12.3
319.92203	0.4
320.09122	2.9
321.09528	0.6
322.10733	100.0
334.10742	2.1
336.12308	4.1
427.38785	0.4
451.93640	0.5
483.14023	0.4
511.41864	0.5
529.42786	2.4
547.43536	1.6
567.00116	0.4
600.33331	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32802	0.9
54.66205	0.7
67.04228	0.7
71.78061	0.7
75.65784	0.7
81.07052	1.4
89.78581	0.8
93.07025	1.2
117.95994	0.8
127.93911	0.9
137.13326	0.9
174.78720	1.0
186.05531	9.8
187.06339	1.6
236.48228	0.9
290.08167	4.9
307.08496	8.7
308.09192	10.0
310.07147	7.0
325.09430	20.0
340.11777	100.0
346.10571	1.3
380.04877	0.9
600.33209	55.7
600.48907	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36106	0.3
55.00900	0.3
55.50809	0.3
67.05487	0.5
69.15778	0.3
74.05808	0.4
77.23999	0.3
79.05459	0.9
81.07059	0.6
85.37366	0.4
93.06995	1.6
95.08563	0.7
151.11145	0.4
166.72191	0.4
186.05492	12.7
187.06302	3.5
276.20221	0.4
279.08835	1.5
290.08017	4.1
301.65851	0.4
307.08398	9.5
308.09164	9.8
310.07028	3.9
324.08466	0.6
325.09457	24.1
340.11792	100.0
346.37051	0.4
600.33197	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67724	0.2
57.34635	0.2
58.68959	0.2
61.83680	0.2
81.06996	0.3
88.07512	0.2
121.46259	0.2
127.63237	0.2
159.04642	0.3
278.08130	0.6
279.08850	0.9
294.11188	0.6
306.07672	1.0
307.08356	11.6
308.09113	0.5
320.09189	2.4
321.09561	2.0
322.10715	100.0
336.12283	2.5
345.91998	0.3
393.11224	0.3
534.65271	0.3
600.33289	27.8
600.50006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63017	0.2
58.77304	0.2
60.18686	0.2
66.99587	0.2
88.07601	0.2
88.25716	0.2
89.97881	0.2
95.08571	0.3
135.95038	0.2
137.61946	0.2
148.84149	0.2
173.23178	0.2
260.47369	0.2
279.08853	0.9
294.11240	0.4
307.08401	12.4
308.09158	0.3
310.53439	0.2
320.09171	0.4
321.09680	0.4
322.10739	100.0
336.12216	0.8
472.84787	0.3
600.33295	28.3
600.49878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31628	1.6
52.67992	1.7
55.01884	2.4
55.03229	1.5
55.05516	14.7
57.03444	7.6
57.07087	17.7
67.05512	34.6
69.07072	41.8
71.04984	2.0
71.08627	10.6
79.05507	12.6
81.07062	49.4
83.04977	2.1
83.08633	37.9
85.02884	2.3
85.06550	2.1
85.10172	3.9
88.37350	2.3
91.05472	2.5
92.20914	3.7
93.07059	21.9
95.05053	2.0
95.08020	2.5
95.08604	45.7
97.06545	4.6
97.10172	32.8
99.04436	3.0
99.08099	2.4
107.08577	19.2
109.02888	3.5
109.10162	30.5
111.04409	2.2
111.08083	9.5
111.11724	12.0
121.10137	49.2
123.11700	11.8
125.09600	2.1
127.03886	2.0
131.08629	2.0
135.11696	48.5
139.11177	2.7
143.08658	2.3
149.13216	20.0
151.14815	8.7
163.14824	10.3
165.16373	4.3
177.16466	2.4
189.01871	2.0
247.24150	26.0
264.25723	2.2
265.25247	57.9
276.20352	2.5
283.26324	9.7
289.17657	2.3
306.07745	3.3
307.08282	11.2
322.10721	83.8
323.11304	2.6
336.12314	4.9
339.28946	59.9
341.46631	2.1
357.29999	100.0
555.76483	2.2
565.30444	8.0
600.32489	25.0
600.41205	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00903	1.3
53.03952	4.3
55.05508	8.4
60.00562	1.7
65.08800	2.0
66.76930	1.5
67.05515	16.1
69.03446	3.7
69.07047	3.8
71.04987	3.9
73.02921	21.7
76.07664	2.3
79.05479	11.0
81.03423	16.3
81.07051	20.8
83.04980	3.9
83.08595	2.7
85.02892	8.3
87.04472	3.7
91.05469	8.6
92.21394	3.4
93.07050	16.7
95.04972	3.3
95.08606	16.7
97.02889	14.7
99.04454	100.0
101.39048	1.8
105.07021	10.5
105.27256	1.8
107.08588	14.0
109.10153	8.4
111.04430	4.1
117.07014	2.9
119.08569	11.6
121.06577	2.4
121.10158	8.5
127.03879	9.1
129.06927	2.2
131.08607	10.0
133.10089	11.2
135.11685	6.8
137.40939	2.1
141.05478	1.9
143.08537	2.6
145.10100	6.7
146.10431	2.0
147.07982	3.2
147.11707	4.1
149.13269	3.1
157.10115	3.3
159.11639	10.8
161.13280	3.3
169.10083	2.3
171.07988	2.3
171.11603	2.8
173.09555	1.8
173.13133	2.4
181.10031	2.1
187.14839	2.1
197.13252	2.3
213.12651	1.7
219.46091	1.8
243.08598	12.3
261.22192	4.2
320.09094	40.2
351.23157	4.2
369.24127	10.4
387.25266	9.2
405.26239	4.0
423.27191	2.2
467.27817	10.9
470.18521	2.0
485.28705	20.2
503.29837	15.3
521.31006	3.6
600.33624	10.9
621.26019	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29324	4.1
55.05523	5.9
55.18111	4.6
56.19675	3.8
57.07085	5.9
67.05502	8.2
69.03431	4.4
69.07050	7.4
71.80067	4.3
79.05512	8.3
81.07052	30.6
83.04991	7.8
83.08611	5.4
85.06541	8.0
91.05479	19.4
93.07040	37.8
94.53792	4.7
95.04999	7.9
95.08603	27.2
97.06564	4.8
105.07030	53.7
107.08580	44.7
109.06564	7.6
109.10150	8.6
110.72598	5.4
117.07063	7.4
119.08569	60.8
121.10143	42.7
123.08077	26.2
125.09592	6.1
129.06970	7.7
131.08568	26.7
133.06540	5.4
133.10114	42.8
135.08054	23.1
135.11707	5.3
137.09650	6.9
138.51318	5.2
143.08568	37.4
144.09326	10.5
145.10124	50.5
147.08051	24.2
147.11690	8.6
149.09656	6.4
151.07533	23.9
156.09340	8.0
157.10107	57.8
159.11703	40.3
161.09618	8.4
163.11159	9.3
165.09131	47.7
167.10686	8.9
169.10115	17.1
171.11647	37.1
173.09612	20.0
173.13220	7.1
175.11128	21.3
179.10504	6.2
181.10077	6.0
183.11717	25.9
185.13144	16.0
187.11159	7.4
190.13504	8.1
195.11723	25.4
197.13214	21.4
203.14317	32.3
207.11682	11.6
207.13654	6.6
209.13281	11.9
211.14806	10.8
219.13834	6.3
221.13434	10.7
221.15326	62.1
223.14784	7.7
233.15356	28.5
234.16092	7.1
235.14833	7.5
237.14630	34.9
247.14619	5.1
247.16896	5.7
255.17349	10.0
261.16397	7.0
281.18967	7.3
286.19333	8.7
291.27194	5.8
299.20074	7.8
303.19562	11.6
313.21780	16.0
325.21640	8.0
337.21490	5.5
352.23999	69.7
365.24582	10.2
439.76663	5.5
502.35034	7.7
507.34845	10.9
520.28259	7.2
520.35455	100.0
559.24219	5.9
600.33282	11.1
600.41425	62.2
600.50006	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30699	3.7
55.05514	4.5
56.42958	4.0
57.07072	4.5
62.13881	4.8
63.37481	4.2
81.07057	9.4
83.87691	3.9
85.06574	4.1
88.07642	6.9
91.05464	5.1
91.76778	4.4
93.07073	7.9
95.05009	4.4
95.08607	8.6
96.51855	4.0
99.04441	10.5
101.64094	4.2
104.57932	4.3
105.07043	10.7
107.08608	21.0
109.10141	4.7
115.55907	4.6
118.80392	4.5
119.08579	4.5
121.10171	18.2
131.10022	4.6
133.10187	8.0
135.11798	5.9
143.08644	5.8
145.10094	20.0
147.08034	4.7
157.10110	18.1
159.11679	8.5
165.09149	5.0
171.11719	6.9
183.11758	6.6
189.12814	5.7
221.15344	9.2
242.24840	5.2
320.09219	100.0
352.23886	10.3
520.35602	25.6
600.33063	20.6
600.41876	12.9
600.50336	49.5
621.90826	5.3
628.06409	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39853	4.3
55.05508	11.7
57.07069	8.4
57.90856	6.6
64.50175	6.1
67.05510	34.9
69.03437	6.7
69.07055	11.4
70.49207	5.5
79.05494	14.2
81.07071	37.5
83.04974	10.3
83.08632	12.5
85.06554	6.8
91.05478	42.1
93.07048	58.9
95.04987	22.1
95.08594	46.2
97.06512	10.0
97.10131	5.9
105.07046	57.0
107.08606	86.5
109.06496	10.0
109.10172	33.0
117.07030	10.1
119.08604	80.9
121.06478	9.2
121.10124	41.6
123.08101	9.6
125.09640	9.7
129.07045	8.9
131.08563	60.7
133.06429	5.9
133.10129	50.9
135.08049	7.4
135.11665	11.4
137.09633	7.9
143.08560	36.9
144.09320	7.9
145.10146	86.3
147.08092	22.9
147.11676	25.8
149.09650	28.1
155.08498	9.7
156.09402	11.4
157.10155	61.3
159.08064	11.7
159.11676	41.2
161.09631	26.0
165.09174	10.5
167.10724	13.2
169.10155	26.5
170.10876	8.1
171.11714	50.5
171.81064	6.7
173.09676	9.4
173.13286	28.1
175.11249	10.9
177.12878	8.3
179.08691	7.0
183.11736	39.4
185.13246	29.6
187.14905	6.4
189.12758	7.6
190.13535	7.0
193.10181	9.5
193.12125	8.1
195.11758	31.7
197.13345	42.1
199.14812	8.1
207.11662	13.9
209.13206	30.1
211.14778	23.2
221.13298	21.8
221.15263	15.1
223.14827	9.3
225.16298	7.8
233.13145	7.0
233.15367	14.3
234.16130	7.6
235.14847	7.9
237.16487	9.0
245.13141	6.8
249.16455	10.5
255.17465	26.5
261.16559	8.7
269.19162	6.8
270.19919	7.0
288.82101	5.8
352.23853	8.2
380.73080	6.5
383.25870	11.7
389.38589	6.1
454.22086	8.3
468.23569	24.5
506.25507	25.5
524.26111	7.2
556.28809	71.1
567.38507	6.3
600.27594	89.8
600.41705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38783	5.2
55.05510	6.7
57.07078	6.0
63.56336	6.0
67.05511	29.5
70.28098	6.0
79.05473	8.1
81.07080	22.5
81.96975	5.8
83.04974	9.1
83.08634	6.3
85.10163	5.4
87.86139	6.0
88.07621	15.7
89.75572	5.4
91.05493	10.8
93.07050	38.3
95.08594	34.2
97.06517	15.6
99.04446	7.2
103.75996	5.7
105.07070	28.7
107.08605	36.7
109.10155	23.7
116.49883	5.9
117.07026	8.7
119.08604	48.4
121.10148	46.6
125.09657	10.0
131.08563	15.4
133.10121	26.3
135.08095	8.4
139.11134	7.7
142.07753	8.5
143.08543	12.9
145.10098	51.1
147.08083	9.9
147.56233	7.2
151.08990	5.4
157.10149	12.5
159.08057	11.6
159.11682	30.1
160.08885	60.8
163.11125	9.5
167.10689	6.5
169.10120	13.7
171.11722	25.3
181.10179	7.5
183.11620	8.5
195.11667	11.2
197.13307	27.1
206.22308	7.3
233.15321	11.7
242.24767	11.2
255.17520	13.4
257.26663	7.8
286.19275	14.6
290.26971	11.7
291.27191	11.1
318.07629	8.1
320.09286	33.9
559.08215	7.3
600.33521	19.9
600.41565	35.9
600.49957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99110	10.4
55.05511	13.4
57.07096	11.3
67.05489	25.2
69.07060	16.8
75.08123	12.9
78.74980	11.7
79.05510	18.0
83.05038	16.0
83.08624	18.9
88.07615	22.7
93.07041	77.0
95.04948	18.6
95.08602	51.9
97.06522	21.0
105.07038	74.9
107.08598	92.6
108.13975	12.2
109.06543	13.0
109.10172	24.5
109.52805	12.9
119.08593	76.2
121.10130	62.4
123.08054	19.7
131.08585	49.2
133.10126	55.9
135.08086	23.8
135.11711	13.9
139.11154	13.6
143.08592	22.2
145.10112	58.0
147.08067	29.6
147.11786	13.4
149.09644	13.7
157.10117	73.2
159.08061	21.0
159.11720	50.7
160.08806	47.3
161.09622	30.1
165.09113	70.5
171.11649	53.5
173.13307	17.4
174.54918	11.6
183.11752	26.0
183.63271	11.7
185.13303	14.1
195.11810	15.7
197.13275	21.8
203.14365	27.4
209.13234	23.1
213.12746	20.2
221.15471	65.8
225.12720	18.3
233.15445	15.9
237.14691	39.8
242.24887	16.6
251.18047	14.7
274.19241	11.9
286.19205	26.0
303.19653	15.9
320.09003	18.8
352.23975	77.5
513.26245	12.2
520.35242	100.0
600.41364	65.4
600.49988	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	6.1
55.10043	2.4
57.07078	7.7
58.31863	2.5
58.90881	2.6
67.05496	16.2
68.91964	2.5
69.03433	3.8
69.07073	7.5
71.01350	3.4
74.05685	2.9
79.05486	19.8
81.07071	41.6
83.04985	12.6
83.08617	5.3
91.05478	24.0
93.03472	2.9
93.07049	36.3
95.04966	37.9
95.08616	26.2
97.06537	12.8
105.07034	58.5
107.08605	44.9
109.06522	7.0
109.10168	19.7
111.08102	4.4
111.80954	2.9
112.38715	2.8
117.07011	19.0
119.08575	84.0
121.10137	37.8
121.42488	3.6
123.08063	20.2
123.11671	4.2
124.41933	3.4
125.06019	15.8
129.06985	6.1
130.07791	6.0
130.79663	3.3
131.08571	33.4
132.09389	5.4
133.10126	52.5
133.11038	4.1
135.08046	11.9
135.11670	4.6
137.09641	4.2
142.07730	7.0
143.08583	35.6
144.09352	6.1
145.10136	85.5
146.03354	3.2
146.10933	5.3
147.08026	11.8
147.11676	21.4
149.09607	6.8
149.13271	4.5
155.08539	7.0
156.09375	4.8
157.10146	32.8
158.10933	4.5
159.11737	34.0
161.09602	12.9
161.13362	3.6
163.11194	13.1
166.59518	3.0
167.08521	5.5
169.10136	19.4
171.11710	25.2
173.13258	23.1
175.14842	6.4
179.08521	4.4
181.10126	13.1
181.12219	5.6
183.11693	24.2
185.13289	15.7
189.12747	5.1
191.14304	3.2
193.12199	7.0
194.10922	4.2
195.11702	12.4
197.13292	17.5
199.14963	5.8
207.11739	5.3
209.13312	12.4
211.14801	15.7
213.16376	4.6
221.13223	6.6
223.14857	7.7
237.16307	4.8
291.27246	4.9
476.36450	4.0
492.14835	3.5
493.70639	3.1
529.54626	3.8
546.08899	3.3
568.43018	22.5
600.41748	100.0
600.50238	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92934	4.9
57.07074	10.1
61.79030	4.9
67.05509	8.0
68.48290	5.7
69.03413	11.8
74.63799	5.5
76.43184	5.7
77.74913	5.8
79.05497	9.5
81.07060	12.5
85.94709	6.0
91.05484	8.9
93.07050	47.4
95.04959	14.3
95.08601	40.8
95.40434	6.9
97.06519	8.4
105.07038	60.4
107.08586	45.4
109.06524	7.6
109.10165	15.3
119.08598	59.9
119.22683	6.1
121.10150	47.3
123.08049	13.2
123.11681	5.9
129.06999	7.8
131.08577	33.8
133.10127	40.3
135.08046	11.9
137.09631	7.7
141.49611	5.7
142.67999	5.6
143.08585	26.6
145.10135	60.5
147.08052	35.3
147.11720	10.9
149.09581	11.6
151.07587	23.5
155.08430	6.7
157.10080	70.0
159.08058	12.9
159.11671	15.6
161.09586	10.6
161.13188	9.6
163.11198	9.0
165.09062	55.0
170.10898	7.0
171.11688	41.4
173.09636	12.5
173.13144	8.6
173.55902	7.1
175.11255	23.3
181.10164	9.2
181.12241	7.6
183.11766	13.5
185.13249	15.5
187.11206	10.8
193.12215	10.7
195.11755	9.5
197.13239	10.4
203.14267	14.8
207.13724	8.3
209.13297	15.2
211.14859	10.9
213.12640	13.2
221.15341	59.3
223.14763	8.2
225.12685	10.4
225.16365	9.7
233.13216	6.8
233.15436	13.2
237.14752	14.8
248.14029	6.7
255.17528	7.5
259.17047	6.3
286.19360	11.9
290.26620	7.8
290.32925	7.4
299.20062	12.2
303.19611	30.1
313.21579	13.2
320.09171	8.5
325.21683	10.9
338.18744	6.8
352.23868	77.8
419.42484	7.6
458.66971	6.5
520.35504	100.0
582.39893	9.0
600.41577	61.8
600.49951	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89353	0.5
55.05506	0.6
57.07082	5.9
69.07077	1.0
71.08631	5.2
77.04649	0.6
79.05454	0.6
81.07053	1.2
82.38752	0.5
85.10178	3.4
89.06034	16.1
89.33870	0.6
96.62021	0.8
107.08577	1.1
117.07079	0.6
117.09197	1.1
119.08582	0.7
121.10164	0.6
131.08578	1.0
133.08597	5.1
133.10124	0.9
145.10062	0.8
157.10011	0.7
177.11154	2.5
292.09653	3.9
301.27469	0.7
306.20584	0.8
320.09158	100.0
336.12469	0.7
415.25156	1.3
568.68927	0.9
583.44257	8.5
595.19458	0.7
600.33081	26.5
600.47687	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54642	0.3
55.05511	2.0
56.05037	0.9
57.03447	0.3
57.07060	1.4
62.96558	0.4
67.05502	2.2
69.07074	2.6
70.06582	0.5
70.07398	0.5
71.08620	0.7
73.84437	0.3
74.14201	0.3
77.32712	0.3
77.62207	0.4
79.05540	0.4
81.03389	0.4
81.07045	1.9
83.08638	2.7
88.07623	2.5
93.07034	0.8
93.35007	0.4
95.08592	2.2
96.08937	0.6
97.10170	0.8
98.98451	3.7
102.09190	0.8
106.08649	2.5
107.08596	0.5
109.10160	3.9
111.08053	0.5
111.11710	0.6
120.58637	0.4
121.10095	0.7
135.11659	0.9
137.09671	1.3
139.07518	0.5
140.10686	2.9
153.13875	1.7
154.12265	47.0
155.01027	2.6
156.10178	1.5
157.13313	0.8
168.13843	0.9
171.14911	21.6
172.13402	0.5
218.88809	0.4
256.26303	4.5
274.27386	100.0
278.08154	0.5
291.20514	1.4
292.19064	1.6
306.07617	0.7
309.21695	1.9
310.20117	0.6
320.09186	0.7
327.22757	13.9
339.28986	2.9
340.29251	10.4
392.16360	0.4
415.61987	0.4
543.27759	0.4
564.29779	0.8
600.29126	1.7
600.49658	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99965	0.5
56.00342	0.5
56.05036	0.8
57.07076	0.5
60.80476	0.5
67.05501	0.7
69.07066	1.0
70.06593	0.7
81.07064	0.9
81.67291	0.5
87.57066	0.6
88.07610	3.0
95.08605	4.0
97.10171	0.8
102.09187	0.7
106.08675	2.9
106.10225	0.5
109.10168	2.2
125.09594	0.6
137.09601	0.9
138.13931	0.5
140.10719	19.0
153.13785	0.6
154.12270	27.5
157.13374	12.1
168.13802	1.0
171.14905	10.3
256.26297	3.9
274.27396	100.0
278.08072	0.8
291.20682	1.3
292.18985	1.1
306.07574	3.0
307.08353	1.4
308.09167	0.7
309.21759	2.4
320.09244	5.1
327.22775	11.2
336.12451	0.6
338.14221	0.7
474.18921	1.2
589.34326	0.6
600.29498	13.8
600.49707	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29586	0.3
66.83655	0.4
92.20972	0.5
95.00890	0.4
99.04390	0.4
112.64451	0.4
114.33096	0.4
165.31400	0.4
169.66354	0.5
175.07501	0.6
290.08096	10.2
302.08102	2.3
304.06079	8.1
304.09210	0.7
318.07611	12.5
319.08377	54.2
320.09015	4.8
334.10721	100.0
335.11130	0.9
336.12332	1.0
357.00223	0.5
495.65576	0.5
514.56866	0.5
601.21863	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35349	0.3
51.65118	0.3
62.08494	0.3
66.67946	0.3
67.90956	0.3
68.99776	0.3
73.04276	0.3
130.75778	0.3
137.05933	0.5
142.64763	0.3
159.25294	0.3
161.05835	0.3
191.07028	0.5
199.04422	0.3
206.09419	0.4
226.37184	0.3
226.50464	0.3
267.24973	0.4
276.06534	0.5
290.08121	10.6
302.08209	2.5
304.06039	9.1
318.07639	12.4
319.08386	57.2
320.09094	4.9
321.09723	0.5
334.10730	100.0
335.11050	0.6
336.12225	0.6
601.21790	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.1
55.01874	0.6
57.03434	0.7
67.75174	0.6
68.92680	0.6
69.03434	4.0
70.43415	0.6
71.04998	0.8
81.03424	11.9
85.02908	9.1
91.05490	1.0
97.02882	4.8
99.04460	71.6
105.07045	3.7
105.90678	0.9
109.02906	1.5
109.06538	1.2
115.05458	1.2
119.08627	1.4
122.03638	1.9
127.03111	0.9
127.03879	7.0
129.07011	0.9
132.05765	0.9
133.06497	5.2
137.05980	100.0
145.04994	1.7
145.06464	1.2
147.08051	3.3
149.05942	1.3
151.11810	0.9
155.04865	1.4
159.08057	3.0
161.05983	14.6
163.07568	1.7
171.08136	0.9
172.05275	1.5
175.07545	27.6
179.06973	1.3
187.07524	8.7
191.08571	3.5
199.07564	7.2
203.08556	3.1
217.08534	0.9
219.08043	8.5
231.08064	6.2
236.08310	0.8
247.07503	7.9
248.08310	1.6
251.10646	24.6
259.07480	4.2
260.08328	2.9
261.09427	1.0
263.10675	4.1
264.07874	1.3
276.07858	3.0
277.08533	1.0
279.10168	12.2
280.10764	1.2
291.10071	9.1
295.13422	1.2
296.10355	2.9
308.10226	1.1
311.09143	1.2
311.12778	36.7
319.08057	1.1
323.12772	17.2
324.08633	3.7
325.08853	6.8
334.10828	1.1
335.12976	1.2
341.13858	1.5
352.08136	15.6
353.08502	33.6
419.14917	1.4
437.15939	1.2
455.17224	1.2
601.13501	9.2
620.04437	1.0
620.15100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88496	0.4
62.03428	0.5
62.32252	0.4
63.15572	0.6
70.06630	0.5
86.09701	0.5
87.74277	0.5
92.21590	0.6
107.73126	0.5
114.50258	0.5
115.62473	0.5
117.47289	0.5
118.06535	2.6
120.14580	0.5
132.08104	0.6
144.08119	5.6
146.06012	37.4
159.09161	5.7
170.06047	1.2
188.07074	100.0
205.09717	35.0
280.98135	0.6
312.50034	0.6
619.34076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88496	0.4
62.03428	0.5
62.32252	0.4
63.15572	0.6
70.06630	0.5
86.09701	0.5
87.74277	0.5
92.21590	0.6
107.73126	0.5
114.50258	0.5
115.62473	0.5
117.47289	0.5
118.06535	2.6
120.14580	0.5
132.08104	0.6
144.08119	5.6
146.06012	37.4
159.09161	5.7
170.06047	1.2
188.07074	100.0
205.09717	35.0
280.98135	0.6
312.50034	0.6
619.34076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88803	1.1
62.74503	1.0
69.04787	1.2
79.05488	2.4
81.40448	1.2
98.04251	1.2
105.07043	1.4
107.04952	20.4
121.06535	2.4
125.06004	1.4
133.06493	1.9
135.04430	6.7
137.05948	2.5
145.04013	1.7
145.06395	1.8
151.07481	2.1
159.08005	2.0
161.05988	2.6
163.03891	15.5
163.07494	1.3
167.07025	100.0
168.07391	1.4
173.06023	2.2
175.07558	2.2
177.05463	2.0
177.09094	2.8
178.06285	1.9
179.07013	1.4
181.08562	8.9
187.07544	2.6
189.09033	1.4
193.08647	7.9
197.05196	1.5
205.08577	3.0
219.10132	2.2
219.45795	1.3
223.09607	1.8
249.11295	8.3
279.09708	1.4
320.09302	2.0
341.08380	2.4
343.15274	2.2
353.13748	3.0
361.16531	18.5
371.14828	5.6
385.16589	2.1
389.15738	5.9
389.19958	2.8
403.80078	1.6
430.88531	1.4
601.18127	2.5
623.91364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.41630	1.1
57.07088	12.9
64.09750	1.3
67.05499	6.7
69.03445	2.2
69.07079	2.5
71.08630	8.4
73.02920	7.1
81.03426	11.0
81.07044	6.3
83.08598	2.7
85.02910	9.0
85.06536	9.8
85.10155	2.3
87.04482	1.9
88.07619	6.9
93.06996	1.5
94.43488	1.4
95.08614	6.6
97.02893	9.4
97.10130	2.0
99.04457	100.0
109.02882	6.0
109.10155	3.4
117.05491	2.7
121.06470	1.5
127.03897	13.1
141.05460	1.7
159.90157	1.8
179.14218	1.6
213.10916	1.6
225.07495	1.7
230.85388	1.4
239.23653	3.2
242.24742	7.6
243.08670	8.2
256.26318	2.9
290.26797	11.7
344.42923	1.5
447.55383	1.6
463.30923	1.5
481.31668	6.1
499.32349	1.8
534.48608	1.6
601.42865	2.1
601.51501	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
54.40644	3.7
56.02028	3.7
56.03821	4.1
57.07077	20.3
67.05500	6.0
69.03459	5.4
69.48251	3.9
71.08643	6.4
72.25148	5.8
73.02904	9.6
79.05505	4.4
81.03434	6.3
81.07072	8.7
81.82791	4.0
83.08614	5.6
85.02892	7.5
88.07628	6.9
95.08597	7.1
97.02898	10.2
99.04465	100.0
99.05090	7.7
102.06477	4.5
109.02878	5.7
109.10152	16.6
115.70511	4.3
119.08600	5.4
127.03895	15.9
189.49162	4.8
194.93301	4.3
239.23729	5.7
242.24818	10.1
243.08537	19.8
290.26907	27.8
309.09177	4.5
438.79062	4.5
601.51709	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
57.07088	16.6
64.15370	2.1
66.21613	2.6
67.05505	5.0
69.03432	5.4
69.07066	3.0
71.04983	2.3
71.08633	12.2
73.02916	15.0
74.22906	2.4
77.78376	2.2
79.05504	3.9
80.68999	2.4
80.70398	2.2
81.03429	14.1
81.07052	12.4
83.04939	2.2
83.08640	2.2
85.02892	2.6
85.10175	2.8
86.43686	2.5
87.04462	3.3
88.07651	5.0
91.05493	4.7
93.07037	10.0
95.04990	3.0
95.08607	14.9
97.02915	19.5
99.04461	100.0
101.74710	2.3
105.07034	5.6
107.08594	4.5
109.02902	9.2
109.10136	4.8
111.55779	2.1
119.08575	9.8
121.10112	5.0
123.11799	2.3
125.05981	2.5
127.03920	18.5
145.10129	10.0
147.08083	3.0
157.10161	4.8
171.11737	2.5
225.07564	3.7
239.23756	5.4
242.24803	4.8
243.08591	14.4
256.26321	10.0
261.91190	2.6
290.26852	14.2
345.08456	2.4
481.31525	10.6
601.41498	21.3
601.51013	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02126	0.9
62.36024	0.7
65.30566	0.7
69.03432	1.7
77.54477	0.7
81.03432	1.0
85.02924	1.0
87.00844	1.0
94.30407	0.8
103.16189	0.8
109.02843	1.1
114.04250	0.8
127.03923	0.9
149.06042	1.2
151.03848	1.1
153.05498	1.2
155.20897	0.8
167.09850	0.8
176.07097	1.9
177.08989	0.8
189.07837	4.0
249.05511	1.1
251.06987	3.5
278.08160	3.1
279.06470	1.5
298.10645	1.3
308.09164	4.5
318.07596	1.2
319.08456	1.8
320.09021	9.7
325.09717	3.4
326.10223	100.0
334.10654	4.4
336.08609	22.1
336.12274	9.3
354.09708	71.4
484.13983	3.1
512.13586	10.7
574.15405	1.1
602.14801	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98082	0.7
63.73114	0.9
69.03415	1.1
70.06595	4.1
70.28306	0.7
84.08110	0.7
84.86726	0.8
85.02905	1.3
85.38210	0.8
86.09695	0.9
94.21147	0.8
97.02923	0.8
105.00362	0.8
137.05975	1.2
147.04372	1.1
177.05550	0.8
178.04890	5.8
206.04512	1.6
215.06972	0.9
219.06508	4.5
239.61447	0.8
260.10785	0.9
304.13336	3.2
305.10504	1.8
317.10452	1.8
319.11975	6.7
320.12704	5.6
332.09326	1.9
332.12790	12.7
333.09888	1.7
335.11606	4.1
337.09332	1.1
345.09982	1.7
346.10681	1.0
347.11603	3.7
348.12286	27.8
348.16214	1.4
349.13104	3.0
350.10181	1.3
350.13779	5.8
360.12219	6.7
361.09497	1.6
363.10934	1.1
364.08063	3.3
366.13321	3.2
376.11786	100.0
378.09369	1.8
378.13531	1.1
379.10544	8.5
393.12079	4.5
394.12820	36.0
404.11307	12.2
422.12332	59.8
440.13385	30.7
584.28015	0.9
602.18567	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98082	0.7
63.73114	0.9
69.03415	1.1
70.06595	4.1
70.28306	0.7
84.08110	0.7
84.86726	0.8
85.02905	1.3
85.38210	0.8
86.09695	0.9
94.21147	0.8
97.02923	0.8
105.00362	0.8
137.05975	1.2
147.04372	1.1
177.05550	0.8
178.04890	5.8
206.04512	1.6
215.06972	0.9
219.06508	4.5
239.61447	0.8
260.10785	0.9
304.13336	3.2
305.10504	1.8
317.10452	1.8
319.11975	6.7
320.12704	5.6
332.09326	1.9
332.12790	12.7
333.09888	1.7
335.11606	4.1
337.09332	1.1
345.09982	1.7
346.10681	1.0
347.11603	3.7
348.12286	27.8
348.16214	1.4
349.13104	3.0
350.10181	1.3
350.13779	5.8
360.12219	6.7
361.09497	1.6
363.10934	1.1
364.08063	3.3
366.13321	3.2
376.11786	100.0
378.09369	1.8
378.13531	1.1
379.10544	8.5
393.12079	4.5
394.12820	36.0
404.11307	12.2
422.12332	59.8
440.13385	30.7
584.28015	0.9
602.18567	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32561	0.5
51.97567	0.6
60.26684	0.6
65.72472	0.5
67.86452	0.6
99.04441	0.5
118.32782	0.6
186.47639	0.6
243.19571	0.9
268.22125	0.7
290.08112	10.6
302.08331	2.5
304.06012	9.0
318.07587	11.5
319.08401	52.0
320.09311	3.1
328.33981	0.7
334.10724	100.0
335.11160	1.1
336.12372	0.9
358.47299	0.6
400.60541	0.6
602.20404	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46103	0.1
67.04687	0.1
68.04979	0.1
69.76663	0.1
76.63316	0.1
119.39466	0.1
120.45225	0.1
137.05833	0.1
144.21631	0.1
151.03867	0.1
166.85339	0.1
174.05518	0.1
188.03397	0.2
273.07739	0.1
276.06433	0.7
290.08081	10.8
302.08093	3.2
303.08823	0.4
304.06015	9.7
305.06870	0.1
316.05988	0.1
318.07587	13.9
319.08380	58.2
320.09073	0.2
334.10718	100.0
335.11011	0.1
339.07449	0.2
342.13791	0.1
354.09512	0.1
391.29382	0.1
480.14352	0.1
584.18909	0.1
602.20227	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12056	0.6
62.12717	0.6
63.00023	0.5
71.28660	0.6
71.65575	0.5
84.48694	0.6
85.23046	0.5
152.27863	0.7
182.67673	0.6
185.94046	0.7
276.06641	0.6
290.08020	9.1
290.10901	0.7
302.08163	1.2
304.05997	10.1
318.07562	11.7
319.04999	0.8
319.08371	54.4
334.10709	100.0
381.40314	0.7
518.93182	0.9
602.20209	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81307	0.8
54.36992	0.8
54.83175	0.8
57.01902	0.9
57.31422	0.9
73.80246	1.0
81.03423	3.8
84.36936	0.9
85.02912	1.7
97.02891	1.3
99.04451	15.4
110.85180	1.2
135.04362	7.3
137.05937	1.1
149.05997	6.8
163.03879	2.0
166.92386	1.0
169.75777	0.9
176.07048	1.6
178.08635	6.6
188.07054	36.5
189.07846	17.8
190.08664	8.0
206.08141	20.6
206.11819	1.1
267.60999	1.1
275.07059	6.5
283.09631	1.3
293.08099	2.0
294.11151	1.4
309.09744	1.3
311.09207	1.4
322.10599	1.6
324.12289	14.9
336.12430	1.9
337.12616	4.2
338.13562	6.6
342.13364	65.1
534.38452	1.1
602.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76701	0.5
81.03418	1.0
85.02914	1.1
97.02908	0.8
99.04459	13.8
109.02895	0.8
127.03899	0.6
133.53699	0.5
135.04425	4.5
137.06012	0.7
149.05984	7.2
163.03925	1.4
178.08617	4.2
188.07051	30.3
188.08699	1.1
189.07857	14.9
190.08673	6.1
206.08110	14.9
241.08716	0.6
247.07652	0.9
253.08348	1.0
255.06435	0.7
271.09708	0.8
275.07074	5.7
283.09644	0.9
293.08044	2.9
308.09335	0.6
309.09970	1.0
311.09219	1.3
322.10513	0.7
324.12296	11.3
336.12302	0.9
337.12653	1.1
338.13071	3.5
341.12656	0.7
342.09137	1.3
342.13336	47.2
602.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76701	0.5
81.03418	1.0
85.02914	1.1
97.02908	0.8
99.04459	13.8
109.02895	0.8
127.03899	0.6
133.53699	0.5
135.04425	4.5
137.06012	0.7
149.05984	7.2
163.03925	1.4
178.08617	4.2
188.07051	30.3
188.08699	1.1
189.07857	14.9
190.08673	6.1
206.08110	14.9
241.08716	0.6
247.07652	0.9
253.08348	1.0
255.06435	0.7
271.09708	0.8
275.07074	5.7
283.09644	0.9
293.08044	2.9
308.09335	0.6
309.09970	1.0
311.09219	1.3
322.10513	0.7
324.12296	11.3
336.12302	0.9
337.12653	1.1
338.13071	3.5
341.12656	0.7
342.09137	1.3
342.13336	47.2
602.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77858	0.4
51.27858	0.4
53.03933	0.7
53.90776	0.4
54.03930	0.4
69.03434	1.1
70.40350	0.5
81.03430	2.9
85.02896	2.1
97.02901	0.7
99.04465	14.3
109.02872	0.5
123.20506	0.6
127.03943	0.9
135.04433	6.5
137.05974	2.2
149.05989	7.8
153.05591	0.6
156.21552	0.6
163.03897	1.0
177.07843	0.5
178.08585	3.9
188.07062	37.6
189.07848	18.6
190.08617	7.5
206.08134	18.2
231.37238	0.6
247.07629	2.5
253.08711	2.4
255.06685	0.7
275.06985	5.6
281.08255	0.8
283.09741	1.9
293.07861	4.5
294.11154	0.9
308.09296	0.6
309.10236	0.6
311.09290	1.9
322.10406	0.7
324.12256	13.1
336.12335	2.1
337.12567	1.0
338.13074	4.0
341.12592	0.6
342.13373	61.4
376.06442	0.6
464.75720	0.5
602.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76701	0.5
81.03418	1.0
85.02914	1.1
97.02908	0.8
99.04459	13.8
109.02895	0.8
127.03899	0.6
133.53699	0.5
135.04425	4.5
137.06012	0.7
149.05984	7.2
163.03925	1.4
178.08617	4.2
188.07051	30.3
188.08699	1.1
189.07857	14.9
190.08673	6.1
206.08110	14.9
241.08716	0.6
247.07652	0.9
253.08348	1.0
255.06435	0.7
271.09708	0.8
275.07074	5.7
283.09644	0.9
293.08044	2.9
308.09335	0.6
309.09970	1.0
311.09219	1.3
322.10513	0.7
324.12296	11.3
336.12302	0.9
337.12653	1.1
338.13071	3.5
341.12656	0.7
342.09137	1.3
342.13336	47.2
602.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	1.2
58.30299	0.7
58.72740	0.8
60.08174	22.2
60.15990	0.8
69.03427	1.9
69.27962	0.7
80.90346	0.8
85.02911	4.2
87.04478	0.9
95.04987	1.4
97.02891	1.5
100.07635	1.2
111.05601	1.3
118.08656	23.6
118.23820	1.2
133.10152	4.8
136.08694	16.6
136.13225	1.0
143.02769	9.1
148.78047	1.1
159.08087	1.1
165.07397	1.3
222.33238	0.9
319.11127	18.9
323.10718	1.2
337.12143	100.0
525.21442	16.6
540.23767	25.0
558.24792	54.9
602.23871	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21650	0.4
92.56467	0.4
148.97951	0.3
187.58427	0.5
229.58759	0.4
276.06656	0.4
276.73282	0.5
290.08154	7.5
302.08188	2.9
304.05984	8.3
308.09326	0.5
318.07593	11.7
319.08405	48.8
320.09290	2.5
326.10223	5.4
334.10739	100.0
336.08527	0.9
336.12347	1.7
354.09790	5.6
438.98801	0.5
483.12857	0.6
486.97372	0.6
512.13312	2.1
602.15912	3.1
602.24091	29.1
611.49823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21650	0.4
92.56467	0.4
148.97951	0.3
187.58427	0.5
229.58759	0.4
276.06656	0.4
276.73282	0.5
290.08154	7.5
302.08188	2.9
304.05984	8.3
308.09326	0.5
318.07593	11.7
319.08405	48.8
320.09290	2.5
326.10223	5.4
334.10739	100.0
336.08527	0.9
336.12347	1.7
354.09790	5.6
438.98801	0.5
483.12857	0.6
486.97372	0.6
512.13312	2.1
602.15912	3.1
602.24091	29.1
611.49823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92495	0.4
59.40112	0.4
72.65375	0.5
74.48122	0.6
81.03384	0.6
92.20954	1.2
117.37058	0.5
125.66523	0.5
128.46074	0.6
154.40709	0.6
230.09482	0.6
236.40796	0.6
283.20523	0.6
284.32272	0.8
290.08112	8.6
292.09607	0.9
302.08099	2.3
304.05975	8.3
318.07590	10.3
319.08380	48.0
320.09146	4.5
321.09872	2.7
324.04797	0.7
334.10721	100.0
336.08582	0.9
336.12219	7.6
339.07315	19.9
348.12161	0.7
354.09702	39.9
362.13892	1.2
372.30045	0.6
376.11993	0.9
390.13412	4.6
422.15912	3.0
584.68951	0.6
602.14844	17.9
602.23639	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79287	0.3
63.27063	0.4
121.06427	0.6
133.10056	0.4
181.25674	0.5
205.30801	0.4
216.47740	0.5
265.19495	0.7
276.06360	0.6
283.20255	0.7
290.08072	9.3
292.09576	0.6
301.21558	0.6
302.08011	2.1
304.06058	7.6
318.07605	11.9
319.08371	52.0
319.22720	0.6
320.09171	0.9
321.10040	3.7
334.10715	100.0
336.12296	11.2
337.12762	0.7
366.37686	0.5
370.07687	0.5
390.13214	1.8
422.05255	0.5
448.30762	0.6
476.14343	0.5
602.23926	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92495	0.4
59.40112	0.4
72.65375	0.5
74.48122	0.6
81.03384	0.6
92.20954	1.2
117.37058	0.5
125.66523	0.5
128.46074	0.6
154.40709	0.6
230.09482	0.6
236.40796	0.6
283.20523	0.6
284.32272	0.8
290.08112	8.6
292.09607	0.9
302.08099	2.3
304.05975	8.3
318.07590	10.3
319.08380	48.0
320.09146	4.5
321.09872	2.7
324.04797	0.7
334.10721	100.0
336.08582	0.9
336.12219	7.6
339.07315	19.9
348.12161	0.7
354.09702	39.9
362.13892	1.2
372.30045	0.6
376.11993	0.9
390.13412	4.6
422.15912	3.0
584.68951	0.6
602.14844	17.9
602.23639	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32920	0.3
58.06535	0.4
59.58958	0.3
62.57055	0.3
78.11526	0.3
81.80543	0.4
88.82981	0.3
94.43090	0.3
145.08905	0.4
164.30403	0.4
164.91397	0.3
294.11227	7.0
306.11252	1.3
308.09155	3.4
322.10745	8.8
323.11508	28.0
338.13858	100.0
440.13284	0.7
482.14828	0.6
584.23566	0.4
602.26288	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54342	0.2
82.22557	0.2
84.07996	0.3
86.09621	0.4
99.04365	1.0
112.34107	0.2
112.92219	0.3
133.39212	0.3
137.05904	0.6
143.27628	0.3
147.04295	0.3
267.90854	0.3
293.10117	0.3
294.11221	8.0
306.11261	1.5
308.09167	3.4
309.09915	1.1
322.10684	9.2
323.11502	32.4
324.12347	3.6
338.13843	100.0
482.33627	0.3
602.26086	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54342	0.2
82.22557	0.2
84.07996	0.3
86.09621	0.4
99.04365	1.0
112.34107	0.2
112.92219	0.3
133.39212	0.3
137.05904	0.6
143.27628	0.3
147.04295	0.3
267.90854	0.3
293.10117	0.3
294.11221	8.0
306.11261	1.5
308.09167	3.4
309.09915	1.1
322.10684	9.2
323.11502	32.4
324.12347	3.6
338.13843	100.0
482.33627	0.3
602.26086	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15375	0.4
66.47031	0.4
73.02969	0.4
81.07102	0.6
85.02883	0.4
93.07069	0.6
99.04464	0.6
104.81135	0.4
108.43136	0.4
109.09268	0.5
147.43549	0.5
154.04393	0.4
156.03619	0.5
191.04008	0.6
191.54108	0.7
292.09692	8.3
293.25650	0.5
304.09787	0.9
306.07452	2.6
319.08218	0.9
320.09164	10.4
321.09952	28.8
322.10715	0.8
323.11508	2.3
334.10767	3.2
335.11142	0.5
336.12283	100.0
337.12875	0.8
338.13953	4.9
557.42914	0.5
602.27393	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47261	0.4
58.88372	0.5
65.28275	0.6
67.45131	0.4
79.05459	0.5
85.02924	1.1
85.44520	0.5
103.05442	2.1
105.07027	1.1
105.65250	0.5
107.04944	5.5
121.06486	1.2
131.04892	4.9
133.06465	3.8
137.05965	2.0
137.64227	0.6
145.06497	2.0
147.04431	1.2
151.07536	2.7
152.04767	0.6
159.08064	0.9
161.05983	6.8
163.07542	12.6
163.44984	0.6
167.07031	100.0
173.05969	1.2
173.09615	1.2
175.07567	1.1
177.09058	0.8
179.07079	2.8
180.08624	0.7
181.08617	4.1
187.07544	2.9
187.22188	0.5
193.08609	15.3
193.10254	1.0
201.09106	2.8
205.08620	0.8
207.10130	1.0
217.08865	0.6
219.10173	2.4
225.07571	0.9
233.11757	3.8
237.11209	2.5
249.11086	0.7
251.12622	0.8
263.10678	0.6
294.11258	3.0
295.13159	0.9
308.09320	0.9
322.10907	3.6
323.11533	12.2
325.10150	0.5
338.13855	36.6
355.15332	5.0
387.18045	7.7
405.19070	37.8
423.20154	8.4
494.81732	0.6
540.77698	0.7
602.17407	1.0
602.25964	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47261	0.4
58.88372	0.5
65.28275	0.6
67.45131	0.4
79.05459	0.5
85.02924	1.1
85.44520	0.5
103.05442	2.1
105.07027	1.1
105.65250	0.5
107.04944	5.5
121.06486	1.2
131.04892	4.9
133.06465	3.8
137.05965	2.0
137.64227	0.6
145.06497	2.0
147.04431	1.2
151.07536	2.7
152.04767	0.6
159.08064	0.9
161.05983	6.8
163.07542	12.6
163.44984	0.6
167.07031	100.0
173.05969	1.2
173.09615	1.2
175.07567	1.1
177.09058	0.8
179.07079	2.8
180.08624	0.7
181.08617	4.1
187.07544	2.9
187.22188	0.5
193.08609	15.3
193.10254	1.0
201.09106	2.8
205.08620	0.8
207.10130	1.0
217.08865	0.6
219.10173	2.4
225.07571	0.9
233.11757	3.8
237.11209	2.5
249.11086	0.7
251.12622	0.8
263.10678	0.6
294.11258	3.0
295.13159	0.9
308.09320	0.9
322.10907	3.6
323.11533	12.2
325.10150	0.5
338.13855	36.6
355.15332	5.0
387.18045	7.7
405.19070	37.8
423.20154	8.4
494.81732	0.6
540.77698	0.7
602.17407	1.0
602.25964	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47261	0.4
58.88372	0.5
65.28275	0.6
67.45131	0.4
79.05459	0.5
85.02924	1.1
85.44520	0.5
103.05442	2.1
105.07027	1.1
105.65250	0.5
107.04944	5.5
121.06486	1.2
131.04892	4.9
133.06465	3.8
137.05965	2.0
137.64227	0.6
145.06497	2.0
147.04431	1.2
151.07536	2.7
152.04767	0.6
159.08064	0.9
161.05983	6.8
163.07542	12.6
163.44984	0.6
167.07031	100.0
173.05969	1.2
173.09615	1.2
175.07567	1.1
177.09058	0.8
179.07079	2.8
180.08624	0.7
181.08617	4.1
187.07544	2.9
187.22188	0.5
193.08609	15.3
193.10254	1.0
201.09106	2.8
205.08620	0.8
207.10130	1.0
217.08865	0.6
219.10173	2.4
225.07571	0.9
233.11757	3.8
237.11209	2.5
249.11086	0.7
251.12622	0.8
263.10678	0.6
294.11258	3.0
295.13159	0.9
308.09320	0.9
322.10907	3.6
323.11533	12.2
325.10150	0.5
338.13855	36.6
355.15332	5.0
387.18045	7.7
405.19070	37.8
423.20154	8.4
494.81732	0.6
540.77698	0.7
602.17407	1.0
602.25964	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.5
61.02943	3.1
61.59577	2.8
69.03436	33.4
71.39133	3.4
75.02808	3.7
81.03426	34.1
81.07064	7.7
85.02426	5.8
85.02906	100.0
87.00840	48.7
88.20844	3.1
93.07038	3.8
95.08615	13.8
97.02883	26.3
99.04440	16.2
100.87358	3.7
105.01879	49.0
105.07047	7.3
107.08574	8.3
109.02882	41.7
109.10139	15.8
111.08089	4.4
117.01918	4.2
119.08572	19.4
121.06538	3.8
121.10143	19.0
127.03926	62.3
131.08527	5.8
133.10098	26.5
135.11761	5.0
143.08594	4.8
145.04938	16.1
145.10139	14.5
147.11702	8.0
149.13191	3.8
157.10139	5.8
159.02837	7.4
159.11719	14.8
161.13309	4.2
163.11037	3.6
173.13286	5.5
175.11209	7.4
177.05365	3.3
177.12741	3.6
183.11607	5.6
185.13338	13.0
187.14714	8.0
189.12718	20.3
194.09552	4.8
197.13258	4.7
199.14842	7.4
203.11880	3.4
213.04013	16.0
213.16278	6.3
225.16331	6.5
231.04999	6.8
243.17424	22.3
249.06100	4.3
253.19345	6.5
255.21121	6.2
271.20590	16.6
283.20590	47.6
301.21622	81.0
319.08459	7.9
319.22641	74.2
320.09003	4.7
321.09909	7.1
334.10629	22.7
336.08542	4.9
336.12308	52.4
337.12598	6.4
337.23627	19.0
354.09732	13.8
531.26019	38.6
549.26758	18.6
567.27588	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27340	0.6
79.05495	0.8
81.07037	1.5
81.72287	0.7
85.02912	1.1
91.05511	0.7
93.07066	1.4
95.08604	1.6
99.04458	0.7
105.01875	1.2
105.07040	0.7
107.08597	5.0
109.10154	1.2
119.08590	1.6
121.10145	2.7
123.11695	0.7
125.09634	3.3
127.03915	0.6
131.08527	1.6
133.10147	3.1
135.11664	1.0
143.08591	1.1
145.10126	2.5
157.10175	2.7
159.11606	2.3
161.13266	1.0
166.93979	0.7
167.36708	0.7
169.10126	1.3
171.11659	3.6
171.39767	0.6
173.13310	1.4
175.11211	0.7
183.11665	3.6
185.13274	3.1
187.14827	0.9
194.99516	0.7
195.11710	3.6
197.13235	6.2
199.14813	5.4
209.13197	3.2
223.14818	4.0
225.16408	1.6
237.16312	0.9
241.15871	0.8
249.06097	1.2
252.18806	0.8
253.19495	3.7
255.21066	1.3
265.19504	9.1
271.20566	1.0
283.20557	27.6
290.08066	8.9
292.09644	1.5
301.21622	7.2
302.08072	1.5
304.06140	6.0
306.07458	0.8
318.07587	11.9
319.08374	51.4
319.22665	7.1
320.09088	4.2
321.09836	3.5
334.10736	100.0
336.12280	16.1
337.12518	1.0
354.09680	0.9
354.98291	0.7
372.74091	0.7
424.84201	0.9
468.69504	0.7
531.25629	1.2
549.26611	1.3
602.23938	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27340	0.6
79.05495	0.8
81.07037	1.5
81.72287	0.7
85.02912	1.1
91.05511	0.7
93.07066	1.4
95.08604	1.6
99.04458	0.7
105.01875	1.2
105.07040	0.7
107.08597	5.0
109.10154	1.2
119.08590	1.6
121.10145	2.7
123.11695	0.7
125.09634	3.3
127.03915	0.6
131.08527	1.6
133.10147	3.1
135.11664	1.0
143.08591	1.1
145.10126	2.5
157.10175	2.7
159.11606	2.3
161.13266	1.0
166.93979	0.7
167.36708	0.7
169.10126	1.3
171.11659	3.6
171.39767	0.6
173.13310	1.4
175.11211	0.7
183.11665	3.6
185.13274	3.1
187.14827	0.9
194.99516	0.7
195.11710	3.6
197.13235	6.2
199.14813	5.4
209.13197	3.2
223.14818	4.0
225.16408	1.6
237.16312	0.9
241.15871	0.8
249.06097	1.2
252.18806	0.8
253.19495	3.7
255.21066	1.3
265.19504	9.1
271.20566	1.0
283.20557	27.6
290.08066	8.9
292.09644	1.5
301.21622	7.2
302.08072	1.5
304.06140	6.0
306.07458	0.8
318.07587	11.9
319.08374	51.4
319.22665	7.1
320.09088	4.2
321.09836	3.5
334.10736	100.0
336.12280	16.1
337.12518	1.0
354.09680	0.9
354.98291	0.7
372.74091	0.7
424.84201	0.9
468.69504	0.7
531.25629	1.2
549.26611	1.3
602.23938	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61171	0.3
67.05467	2.2
69.07003	0.4
81.07027	0.9
83.13376	0.4
95.08582	0.9
112.10199	0.4
123.89774	0.4
126.16689	0.4
149.21190	0.5
149.92210	0.4
156.04436	0.6
186.05493	12.5
187.06255	2.3
279.08875	2.3
290.08038	4.4
292.09311	0.5
307.08411	7.9
308.09177	8.7
310.07147	3.2
320.09088	2.0
324.08640	0.7
325.09424	19.8
326.14297	0.4
340.11795	100.0
408.00024	0.5
408.06174	0.5
602.34772	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03168	0.5
56.52262	0.5
67.05503	2.2
67.56611	0.5
69.07077	0.4
76.55268	0.5
81.07050	2.1
95.08622	0.8
186.05489	13.7
187.06288	2.4
204.30905	0.6
279.08878	0.9
290.08041	4.7
307.08426	9.6
308.09100	8.3
310.07178	3.3
325.09442	22.2
338.13782	0.9
340.11786	100.0
602.34705	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49325	0.5
53.03959	2.5
55.05518	0.7
55.59357	0.5
57.07090	0.8
63.95790	0.6
67.05509	3.3
69.03430	1.3
71.04984	0.6
73.02912	7.6
79.05482	0.9
81.03419	4.4
81.07065	3.3
81.59747	0.6
82.67724	0.7
83.08641	1.1
85.02901	1.1
85.10162	0.8
87.04459	0.8
88.07630	1.1
93.07035	2.5
95.08605	3.0
97.02907	5.8
97.06539	1.0
99.04457	35.3
107.08591	2.7
109.10193	0.8
111.04404	0.9
116.78393	0.7
121.10171	4.4
123.11671	1.0
127.03880	2.5
135.11685	3.1
149.13289	1.2
205.19588	2.4
232.77028	0.8
241.21669	0.8
242.24791	1.2
243.08684	10.4
243.25108	0.9
244.79701	0.7
256.26495	1.5
290.26944	1.1
291.27365	0.8
292.09650	2.6
320.09174	100.0
331.22696	1.3
334.10828	1.2
349.23868	2.4
350.10364	3.3
429.25894	1.0
447.27368	5.2
465.28442	3.8
483.29425	1.2
602.34967	22.8
602.51196	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
56.05052	1.0
57.07080	2.7
58.83779	1.1
59.12169	1.1
61.52998	1.1
62.23639	1.1
67.05503	7.1
69.03426	4.6
69.07062	5.8
71.04999	2.6
73.02927	22.6
75.80563	1.1
79.05507	5.7
81.03423	12.6
81.07065	8.7
83.04979	1.9
83.08611	2.3
85.02898	6.2
85.10181	1.5
87.04472	2.7
88.07644	1.8
93.07054	5.5
95.04932	1.8
95.08594	7.4
97.02888	12.0
97.06525	7.4
99.04452	100.0
107.08609	6.9
109.02897	6.6
109.10143	4.8
119.08608	1.2
121.10124	13.2
123.11689	5.7
127.03926	10.0
133.38826	1.3
135.11688	10.8
135.12608	1.2
141.05522	1.6
145.06392	1.5
177.09103	1.6
205.19514	5.1
218.55783	1.4
242.24782	1.6
243.08627	28.0
245.50403	1.3
256.26321	2.8
289.21616	1.6
290.27036	1.9
291.27307	1.8
292.09677	1.5
313.21548	1.9
320.09171	59.5
331.22595	7.0
349.23502	5.0
362.10211	1.8
367.24667	2.0
429.26367	6.7
447.27258	15.7
465.28726	11.2
483.29337	6.4
551.86981	1.7
602.34363	16.9
602.51300	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91950	1.4
57.91092	1.4
76.74813	1.6
100.17699	1.8
218.54651	1.9
304.06232	1.8
307.08438	2.5
308.09286	1.7
319.08292	4.0
320.09216	13.2
321.09903	7.0
322.10858	2.9
334.10635	7.8
336.12308	7.7
341.12027	2.3
348.08640	2.7
349.09381	10.0
364.11798	29.3
512.10968	2.1
513.10944	8.3
527.08795	2.9
528.13269	9.2
542.11102	3.2
557.13550	10.3
559.11591	11.4
573.09253	9.1
587.10974	13.9
588.11737	3.0
603.14014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49720	0.8
62.23664	0.8
69.02077	0.8
70.13235	0.8
70.27690	0.9
75.39634	1.0
81.31040	0.9
82.32485	0.9
86.38838	0.8
88.20283	0.8
89.84877	0.9
90.58569	0.9
92.32396	0.9
141.22987	1.0
206.09113	0.9
296.09247	5.0
307.08206	1.1
310.07101	28.5
312.89438	1.0
319.08212	1.8
320.08780	4.7
324.08716	2.0
325.09424	100.0
334.10715	5.7
335.11023	9.9
337.12894	1.3
340.11789	69.4
367.09573	1.8
368.11465	1.2
470.01126	1.0
529.14691	2.2
537.33850	1.1
553.48517	1.1
603.18036	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.334
Annotation	Lys His Tyr Arg
Peak:m/z	Relative Intensity
50.84468	0.4
51.44561	0.4
67.10404	0.6
94.95266	0.5
108.97862	0.5
121.42683	0.5
150.05522	0.6
151.01447	0.5
157.49402	0.6
203.05302	5.7
307.08533	1.2
321.09601	0.9
322.10748	11.9
323.11032	12.0
423.26791	5.1
441.28152	13.4
553.15112	0.6
603.33545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3522
Annotation	Avermectin B2a aglycone
Peak:m/z	Relative Intensity
53.03947	4.6
55.05519	4.6
55.90078	3.9
67.05494	25.0
69.03435	3.6
69.07052	4.9
73.02927	4.3
79.05476	5.5
79.43346	3.8
81.03416	20.5
81.07050	32.3
83.08607	5.1
85.02896	6.2
91.05460	16.4
92.20952	5.3
93.07027	18.9
95.04884	4.1
95.08603	24.8
99.04460	100.0
105.07031	19.0
107.08591	16.6
109.06492	5.3
109.10212	17.1
111.04449	3.7
115.03893	4.7
117.07066	3.9
117.10019	4.4
119.08559	25.0
121.06546	5.4
121.10131	7.2
123.11763	5.1
125.09642	4.4
127.03914	4.5
129.06891	3.7
131.08572	20.4
133.10127	16.8
135.11659	7.0
141.05453	5.9
141.59015	3.9
143.08572	15.3
145.10110	29.1
147.11673	5.7
155.08653	4.0
155.20218	3.6
157.10112	17.2
159.11681	19.8
161.13295	6.2
169.10121	6.7
171.11655	15.1
171.46130	4.3
173.13266	15.9
175.14819	3.9
185.13277	6.8
187.14822	6.5
197.13161	4.7
199.14833	17.5
201.16426	6.6
213.16254	4.9
213.86580	3.8
220.59087	5.0
241.59958	3.8
325.25159	8.4
327.26736	5.3
567.32758	9.6
585.34167	29.6
603.35571	96.8
603.45569	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01113	2.2
55.05503	17.7
57.03440	28.7
57.07079	33.7
67.05514	27.8
69.07066	17.0
71.08630	19.3
76.05828	2.1
78.42334	2.2
79.05516	20.4
81.07059	36.1
83.08622	18.7
85.06538	4.3
85.10178	10.4
91.05472	47.0
93.07043	19.4
95.04951	10.2
95.08617	37.5
97.10178	6.3
105.07011	22.1
107.04937	2.8
107.08569	19.0
109.06506	31.5
109.10137	15.0
111.08039	2.7
113.09590	3.2
117.07027	37.5
119.08572	31.9
120.33589	2.6
121.10123	4.7
125.09642	4.7
128.06151	2.7
129.06987	17.4
131.08578	36.8
133.06461	5.7
133.10110	15.4
135.08038	17.4
135.11679	3.2
137.09648	3.8
143.08589	21.7
145.06454	3.7
145.10095	29.1
147.08026	40.0
147.11664	3.8
149.09628	4.2
149.13229	4.2
155.08461	3.7
157.10130	27.0
159.11673	17.3
161.09612	14.9
171.11717	5.9
173.09718	2.7
173.13220	5.0
175.11145	4.1
181.10023	3.1
183.11668	10.3
195.11629	2.8
199.14816	13.0
201.12712	13.2
217.15790	19.6
219.71310	3.1
237.16417	4.2
254.40300	2.7
255.17380	6.4
273.18451	55.7
313.27341	45.2
347.22119	66.1
383.64233	3.2
482.20477	2.5
559.57281	2.6
585.45197	100.0
585.54272	4.2
603.46246	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71972	0.3
57.02864	0.4
58.06593	0.7
64.61723	0.5
92.21474	0.6
95.27641	0.5
117.36299	0.5
118.27290	0.5
119.08831	0.4
119.12291	0.4
252.14728	0.5
277.69324	0.5
290.08090	11.9
294.11179	0.5
302.08029	4.4
304.06024	11.8
307.08173	0.5
308.09265	0.6
313.08279	0.5
318.07614	17.8
319.08380	61.1
320.09256	4.3
321.09775	0.7
322.10739	0.6
326.10248	0.8
327.10318	2.2
328.10837	1.9
334.10715	100.0
335.11240	2.0
336.12244	6.0
338.13449	0.7
352.15488	0.8
354.09698	2.2
356.10040	2.5
408.43042	0.6
501.38510	0.5
604.16180	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03264	0.9
53.36935	0.8
54.59661	0.8
59.31152	0.9
241.66396	0.9
290.08127	1.7
294.11209	18.9
304.06079	1.8
306.11359	3.5
307.08261	1.2
308.09100	7.0
318.07834	1.9
319.08365	9.0
320.09039	8.7
322.10727	19.8
323.11502	52.6
334.10748	21.5
335.11386	1.8
336.12265	9.1
338.13855	100.0
402.27545	1.0
604.21735	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
53.56580	0.6
69.03423	4.6
71.04980	1.1
80.83679	0.8
81.03428	8.1
85.02908	8.0
86.09711	0.9
92.02477	0.8
97.02891	6.9
99.04454	100.0
109.02867	3.9
117.05476	8.6
125.09657	0.9
127.03886	4.5
145.04953	2.9
145.96675	0.8
147.04416	23.6
149.05937	1.1
155.31525	0.7
165.05409	1.8
167.07034	1.4
177.05389	2.6
189.11282	1.3
194.91403	0.9
197.08067	3.0
209.08153	2.9
227.12769	3.1
243.08557	1.5
245.13878	3.5
261.09705	15.1
309.09769	1.7
309.68243	0.8
324.12286	0.9
405.13907	1.1
423.14905	1.7
604.23651	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.9
56.45494	1.3
57.03422	1.6
58.06602	1.9
63.51332	1.3
68.69781	1.5
69.03438	12.1
70.06579	2.9
71.04993	2.5
74.72847	1.5
81.03429	19.6
83.36253	1.4
84.94387	1.5
85.02914	20.9
96.04498	3.0
97.02901	15.9
99.04458	100.0
107.04948	23.4
109.02902	7.2
115.03913	1.5
119.04998	2.3
120.04478	2.2
121.06497	2.6
123.04430	10.4
123.05242	1.7
125.04722	6.8
126.05553	2.8
127.03915	16.7
136.07600	16.2
138.05466	2.8
143.05849	2.6
144.06586	6.3
145.04990	2.4
147.04411	9.4
148.07585	18.6
158.36346	1.6
160.07527	2.0
165.05478	23.9
166.04996	6.3
177.05463	3.4
182.08107	11.2
184.06108	3.3
194.08165	7.1
210.86450	1.6
214.08681	2.8
244.09631	2.6
260.09213	15.1
262.10675	5.8
269.09232	1.9
280.11890	20.1
290.10223	3.6
308.11270	20.4
326.12381	15.2
353.14896	2.4
406.14856	8.0
424.15793	8.8
442.16800	9.1
520.17847	14.8
550.19141	30.6
568.20056	23.8
586.21368	78.0
604.21936	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54169	0.6
55.01878	2.5
69.03439	1.6
70.06584	0.9
71.04987	0.6
79.55422	0.6
81.03444	1.4
85.02905	2.6
86.06081	2.8
87.04462	5.1
97.02896	1.6
98.06052	3.1
99.04441	6.0
104.07126	0.8
107.04996	1.1
109.02905	3.0
110.06035	0.8
111.04463	0.9
116.07073	0.7
117.03376	3.2
125.04765	1.3
126.05486	1.4
127.03908	1.2
134.06047	3.0
140.07066	0.8
145.02844	32.0
147.04422	11.3
148.07588	1.4
166.08676	2.9
176.07057	12.3
177.05463	100.0
182.08109	1.0
194.08139	10.4
212.09264	5.0
217.07100	0.8
230.10033	0.9
235.49268	0.6
245.08083	1.1
248.11319	3.0
406.14893	0.7
407.13449	3.2
424.16437	0.9
442.11185	2.4
455.82419	0.7
568.20288	12.4
586.21295	16.3
604.22382	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76606	0.3
52.57663	0.4
53.03944	0.9
54.59078	0.4
65.73323	0.4
68.61627	0.4
69.03417	2.0
72.34854	0.4
81.03421	3.0
85.02924	1.2
85.13110	0.5
86.09730	0.5
90.69625	0.4
92.21577	0.4
97.02892	2.0
99.04453	18.5
109.02906	0.9
127.03945	0.6
135.04404	4.3
137.05972	3.6
144.95479	0.5
147.04428	1.9
149.06003	0.7
151.07547	10.3
160.07669	0.5
163.03934	2.9
175.06255	0.7
176.07146	0.8
179.09479	0.6
180.10196	5.2
182.11768	0.9
190.08617	39.8
191.09412	16.4
192.10184	7.3
195.08080	0.5
206.08205	0.6
208.09683	15.3
213.09105	0.5
219.43275	0.6
235.07588	0.8
236.09126	0.5
241.08592	1.2
249.09203	1.7
253.08533	0.6
263.07114	1.1
269.08258	0.6
277.08588	4.3
283.09714	0.9
285.11292	2.2
294.11404	0.6
295.09644	4.5
311.11456	0.9
313.10815	3.4
326.10208	0.9
326.13834	11.0
334.10892	0.6
344.10446	0.8
344.11237	0.8
344.14902	60.1
604.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76606	0.3
52.57663	0.4
53.03944	0.9
54.59078	0.4
65.73323	0.4
68.61627	0.4
69.03417	2.0
72.34854	0.4
81.03421	3.0
85.02924	1.2
85.13110	0.5
86.09730	0.5
90.69625	0.4
92.21577	0.4
97.02892	2.0
99.04453	18.5
109.02906	0.9
127.03945	0.6
135.04404	4.3
137.05972	3.6
144.95479	0.5
147.04428	1.9
149.06003	0.7
151.07547	10.3
160.07669	0.5
163.03934	2.9
175.06255	0.7
176.07146	0.8
179.09479	0.6
180.10196	5.2
182.11768	0.9
190.08617	39.8
191.09412	16.4
192.10184	7.3
195.08080	0.5
206.08205	0.6
208.09683	15.3
213.09105	0.5
219.43275	0.6
235.07588	0.8
236.09126	0.5
241.08592	1.2
249.09203	1.7
253.08533	0.6
263.07114	1.1
269.08258	0.6
277.08588	4.3
283.09714	0.9
285.11292	2.2
294.11404	0.6
295.09644	4.5
311.11456	0.9
313.10815	3.4
326.10208	0.9
326.13834	11.0
334.10892	0.6
344.10446	0.8
344.11237	0.8
344.14902	60.1
604.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
57.49046	0.3
58.06601	0.3
58.19802	0.3
69.03436	1.9
81.03437	2.6
85.02912	2.2
97.02925	0.8
99.04461	16.7
109.02941	0.5
118.93778	0.4
123.04420	0.4
127.03989	1.6
135.04420	4.0
137.05992	2.8
151.07530	9.7
154.10271	0.4
160.07658	0.5
163.03931	1.6
165.05542	0.6
176.07097	1.4
177.07898	0.5
179.07159	0.5
179.09450	0.9
180.10194	6.4
182.11839	0.7
190.08630	40.2
191.09409	18.2
192.10178	6.8
194.08167	0.5
195.08055	0.7
208.09685	15.1
212.36250	0.4
223.07681	0.7
227.33784	0.4
235.07582	0.8
247.99228	0.4
249.09135	1.6
251.07231	0.4
253.08717	1.4
263.07132	2.3
273.11450	0.5
277.08554	4.6
277.10950	0.3
283.09763	1.7
285.11295	1.6
294.11273	0.6
295.09534	3.9
310.10858	0.4
311.11566	1.4
313.10645	3.5
320.09250	0.5
326.13882	11.4
336.65176	0.4
343.14352	0.6
344.14926	53.6
386.97205	0.4
442.15015	0.8
499.01462	0.4
558.30597	0.4
604.23969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31975	0.8
58.06603	5.1
67.87666	0.9
81.03409	4.1
82.50314	0.9
85.02911	1.1
91.05461	1.0
92.20955	1.1
94.84545	1.0
97.02896	1.6
99.04457	15.9
122.54250	1.2
135.04376	2.2
137.05971	5.2
150.09251	1.0
151.07550	9.7
163.03943	1.7
165.94504	1.0
175.04024	1.1
180.10216	5.4
190.08614	40.5
191.09418	23.4
191.31828	1.0
192.10204	8.9
202.31873	1.0
204.10222	1.1
207.06427	1.3
208.09654	13.6
223.07637	1.1
235.07597	1.4
249.08943	1.3
253.08575	1.9
263.07016	4.1
265.08588	1.3
277.08511	4.5
295.09732	5.8
304.09741	1.6
308.09158	6.4
313.10867	1.8
319.08511	1.6
320.09186	13.9
324.12177	1.9
326.13983	13.0
334.10764	3.8
338.14017	1.8
339.14044	2.3
340.14508	8.0
344.14908	51.8
442.13016	4.3
588.16309	6.6
604.24207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76606	0.3
52.57663	0.4
53.03944	0.9
54.59078	0.4
65.73323	0.4
68.61627	0.4
69.03417	2.0
72.34854	0.4
81.03421	3.0
85.02924	1.2
85.13110	0.5
86.09730	0.5
90.69625	0.4
92.21577	0.4
97.02892	2.0
99.04453	18.5
109.02906	0.9
127.03945	0.6
135.04404	4.3
137.05972	3.6
144.95479	0.5
147.04428	1.9
149.06003	0.7
151.07547	10.3
160.07669	0.5
163.03934	2.9
175.06255	0.7
176.07146	0.8
179.09479	0.6
180.10196	5.2
182.11768	0.9
190.08617	39.8
191.09412	16.4
192.10184	7.3
195.08080	0.5
206.08205	0.6
208.09683	15.3
213.09105	0.5
219.43275	0.6
235.07588	0.8
236.09126	0.5
241.08592	1.2
249.09203	1.7
253.08533	0.6
263.07114	1.1
269.08258	0.6
277.08588	4.3
283.09714	0.9
285.11292	2.2
294.11404	0.6
295.09644	4.5
311.11456	0.9
313.10815	3.4
326.10208	0.9
326.13834	11.0
334.10892	0.6
344.10446	0.8
344.11237	0.8
344.14902	60.1
604.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09959	0.4
69.07072	0.4
76.50158	0.4
80.29316	0.4
81.07042	0.7
88.22494	0.4
99.04463	0.7
105.07037	0.5
112.96113	0.5
126.08559	0.5
135.08054	0.5
203.29721	0.5
210.31607	0.4
292.09650	8.8
304.09811	1.6
306.07565	3.7
319.08380	0.9
320.09125	12.7
321.09937	31.6
334.10706	2.4
335.11166	2.3
336.12277	100.0
337.12689	0.7
352.15433	0.9
355.10309	0.7
604.25452	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34630	0.1
54.78790	0.1
59.00584	0.1
69.54118	0.1
79.64374	0.2
83.27205	0.1
83.31496	0.2
86.12929	0.1
98.75989	0.2
99.30784	0.2
106.99313	0.2
150.33740	0.2
154.18127	0.2
154.42896	0.1
275.09341	0.2
278.07935	0.2
291.08810	0.2
292.09668	11.6
294.60565	0.2
303.08990	0.2
304.09662	2.3
306.07578	3.3
320.09158	12.8
321.09946	30.7
336.12289	100.0
352.15475	0.2
360.29840	0.2
362.92709	0.2
529.53864	0.2
604.25452	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09959	0.4
69.07072	0.4
76.50158	0.4
80.29316	0.4
81.07042	0.7
88.22494	0.4
99.04463	0.7
105.07037	0.5
112.96113	0.5
126.08559	0.5
135.08054	0.5
203.29721	0.5
210.31607	0.4
292.09650	8.8
304.09811	1.6
306.07565	3.7
319.08380	0.9
320.09125	12.7
321.09937	31.6
334.10706	2.4
335.11166	2.3
336.12277	100.0
337.12689	0.7
352.15433	0.9
355.10309	0.7
604.25452	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78959	0.3
66.25741	0.4
69.86131	0.3
85.02908	0.4
112.21914	0.3
115.49087	0.3
139.04790	0.4
162.20148	0.4
162.73032	0.3
173.51326	0.3
195.10088	0.3
258.53076	0.4
271.77057	0.4
292.09653	10.1
304.09637	1.7
306.07690	3.0
320.09149	11.1
321.09967	30.3
331.66367	0.4
334.10638	0.6
336.12286	100.0
338.13934	0.4
530.14850	3.9
604.16583	0.7
604.25970	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29869	0.2
59.34088	0.2
66.07313	0.2
71.17205	0.2
89.63747	0.3
135.73854	0.3
139.28011	0.3
178.52179	0.3
209.96364	0.3
249.05844	0.3
278.08502	0.3
291.08533	0.4
292.09634	9.8
304.06293	0.3
304.09662	1.7
306.07513	3.7
319.08340	1.4
320.09109	12.3
321.09943	27.9
334.10611	2.5
335.11169	2.1
336.12271	100.0
337.12616	0.4
376.17352	0.3
514.14758	0.4
604.25537	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90274	0.2
54.54849	0.3
55.36012	0.3
97.02856	0.4
102.61871	0.3
116.03658	0.3
188.85269	0.3
221.98512	0.4
230.13860	1.3
258.13315	0.6
276.14288	0.5
292.09647	10.7
304.09647	1.8
306.07562	3.1
319.08478	0.7
320.09164	55.7
321.09952	29.8
322.10120	0.7
324.12161	0.7
329.99911	0.4
334.10742	1.7
336.12283	100.0
337.12708	1.4
338.13937	0.7
352.11465	0.4
604.25519	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53830	2.3
78.72808	2.1
93.03422	2.3
97.02895	100.0
104.33147	2.5
109.50718	2.1
113.26212	2.2
114.09162	3.3
119.04937	9.2
147.04398	11.4
147.17671	2.2
149.02324	14.9
167.03392	57.1
167.07007	2.7
175.03903	48.7
187.07550	4.3
191.07019	12.3
197.05998	5.5
201.08891	2.2
207.06520	95.6
215.06958	3.8
219.10054	7.9
229.08626	12.9
229.46237	3.1
236.04979	2.4
247.09697	3.8
257.07999	3.5
275.09122	13.1
303.08737	3.5
304.06061	2.5
306.07693	2.8
319.08350	4.8
320.09174	8.9
321.09686	36.8
323.11456	3.7
334.10733	15.4
336.12250	5.3
338.13919	13.9
339.10715	9.5
604.20178	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69923	0.3
72.33408	0.3
81.06986	0.4
100.54784	0.3
102.28227	0.3
111.01141	0.3
111.67966	0.3
139.32480	0.3
153.11137	0.3
176.07088	0.5
218.53218	0.4
267.49463	0.3
292.09647	8.8
293.10004	0.4
304.09540	1.4
306.07608	2.3
320.09113	8.5
321.09927	29.6
322.10361	1.7
323.10349	0.5
336.12262	100.0
337.12692	3.1
338.12582	2.7
352.15491	1.3
559.87622	0.4
604.28925	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
75.71897	0.3
79.74302	0.3
80.60979	0.3
89.08697	0.3
121.06483	0.3
166.60611	0.4
168.59933	0.4
254.40758	0.4
292.09702	7.4
304.09677	1.5
306.07495	2.5
320.09189	8.3
321.09952	29.8
336.12280	100.0
337.12585	1.4
604.29102	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75374	0.3
56.44764	0.3
62.82386	0.3
66.84916	0.3
71.36266	0.3
74.08957	0.4
95.08516	0.4
119.08598	0.3
148.80334	0.4
161.57236	0.4
195.54677	0.4
291.17621	0.3
292.09656	9.0
304.09622	0.6
306.07492	2.3
320.09174	9.1
321.09952	30.4
322.10513	0.4
336.12289	100.0
338.13483	0.6
493.75485	0.5
604.29047	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00603	0.6
96.53748	0.7
100.73655	0.7
156.05598	0.7
280.68359	0.8
285.62195	0.7
292.09650	7.5
304.09869	1.2
306.07693	1.4
320.09174	14.8
321.09930	26.7
336.12265	100.0
338.13754	1.6
479.69608	0.8
531.52222	0.8
604.29114	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70460	3.7
55.01888	5.9
67.11884	3.5
69.03432	38.0
81.03425	20.1
81.07055	8.0
81.10469	3.8
85.02911	100.0
86.00483	4.2
87.00832	35.2
93.07048	8.6
95.08636	29.2
97.02886	25.9
99.04465	17.9
105.01858	32.6
105.07042	7.3
107.08614	20.6
109.02891	27.8
109.10165	23.9
119.08558	36.4
121.10157	30.1
123.11726	15.6
127.03899	62.6
133.08031	3.9
133.10138	28.5
135.11702	9.2
139.44757	4.4
145.04958	7.9
145.10138	29.7
147.11731	14.2
149.13261	4.6
151.11276	4.1
159.02895	15.5
159.11700	24.2
161.13252	8.0
163.11127	7.8
171.11664	8.6
173.13263	18.8
175.14928	5.4
177.12720	9.5
183.11575	6.9
185.13356	6.4
187.14818	6.5
191.14345	6.7
197.13264	4.3
199.14813	8.4
201.12636	6.4
201.16457	5.4
211.14903	4.9
225.16475	4.4
227.17979	6.5
231.04970	18.1
244.05443	4.1
249.06117	6.9
255.21013	6.8
257.22531	7.6
267.21097	65.5
273.22000	4.9
285.22083	94.1
303.23145	73.5
321.24265	15.6
336.12152	30.4
339.25171	6.4
515.26263	15.7
529.30878	4.1
533.27484	29.9
547.65240	3.8
551.28680	8.1
569.29596	4.7
579.31970	5.0
604.20282	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27153	1.8
50.86431	1.6
55.01863	2.5
55.05515	1.9
67.05506	8.6
69.03436	3.2
69.07057	2.4
78.89970	1.9
79.05500	8.4
81.03431	3.9
81.07066	12.9
84.04503	2.8
85.02908	4.1
87.03249	2.2
91.05463	3.5
93.07039	15.4
95.04967	2.2
95.08599	10.3
97.02911	18.4
99.04464	5.0
105.07050	2.8
105.85795	2.0
107.04952	43.0
107.08602	9.5
109.10142	3.5
110.06030	4.2
110.65069	2.0
112.03980	2.7
117.07014	2.9
119.04932	12.0
119.08572	2.5
120.04457	10.2
121.06551	3.4
121.10138	2.8
123.04444	21.5
124.03932	2.7
125.04723	42.4
126.05523	9.8
127.03913	5.0
131.08569	4.0
133.10129	2.8
135.06776	3.2
135.11673	2.2
136.07585	27.4
137.18814	2.1
138.05505	14.5
143.05824	2.5
144.06580	2.6
145.10124	2.9
146.06026	11.5
147.04399	16.7
147.11708	2.3
148.07599	22.4
165.05513	23.6
166.04971	4.5
182.08029	2.9
184.06029	8.7
192.06573	9.4
198.09200	2.5
205.76657	2.3
226.08630	4.2
232.09747	2.7
244.09660	10.3
262.10767	10.2
280.11826	10.9
290.10168	9.3
308.11478	3.3
326.12784	2.7
336.12201	5.3
365.73373	2.4
378.52695	2.4
485.37247	2.3
540.33252	3.3
554.35925	2.6
568.32635	60.7
586.33813	100.0
604.35236	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07382	5.0
53.00287	4.8
53.03947	8.5
55.01892	5.7
55.05509	22.6
67.05512	64.2
69.03424	30.5
69.07072	26.7
79.05503	56.2
80.45505	4.9
81.03011	4.9
81.03413	47.5
81.07059	85.0
83.05005	8.0
83.08636	13.2
85.02906	13.5
90.03313	4.7
91.05473	34.8
93.07032	76.7
95.04980	13.1
95.08610	77.6
97.02891	22.0
97.06520	7.8
97.10141	9.6
99.04430	8.6
105.07037	45.5
107.04982	6.2
107.08583	40.1
109.02863	29.4
109.10157	46.7
111.08108	5.7
117.07024	24.4
119.04934	11.2
119.08556	37.1
121.06431	6.1
121.10121	44.6
123.11671	10.9
127.03955	5.8
129.06938	9.0
131.08560	44.2
133.10139	28.3
135.11688	31.2
143.08586	13.0
145.10121	30.8
147.04391	100.0
147.11621	16.2
149.13274	12.0
155.08542	10.7
157.10207	6.8
159.11630	20.1
161.13228	10.5
167.08536	5.9
169.10167	6.0
171.08095	7.2
171.11662	9.7
173.13264	13.4
180.06589	5.5
185.13229	7.5
186.59248	6.4
187.14726	8.0
261.22119	8.1
301.21423	6.3
303.22971	7.0
351.23090	9.3
369.24222	46.2
387.25195	40.8
405.26349	66.8
423.27481	31.2
604.35999	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81927	0.7
62.85505	0.9
67.05516	1.0
69.21741	0.8
71.70988	0.8
83.08604	1.2
95.08613	1.1
104.04008	0.8
118.36579	0.8
171.37166	0.8
186.05556	10.0
187.06267	2.0
234.47635	0.9
290.08151	1.6
307.08249	7.7
308.09113	9.3
310.07034	1.9
324.08978	1.3
325.09491	17.7
325.12991	1.6
340.11801	100.0
574.12299	0.9
604.36340	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90082	3.2
58.06608	91.7
69.07899	3.4
82.02426	3.5
144.40251	4.0
178.42270	4.1
181.44559	4.0
200.46245	4.5
237.09084	6.7
265.08511	44.8
282.08862	17.6
297.11127	41.9
306.07538	21.4
307.08325	8.3
321.10049	19.9
322.10712	50.3
604.32202	27.3
604.40625	100.0
617.33594	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	72.6
72.51278	1.7
82.63837	1.7
87.23312	1.9
115.01865	1.7
124.56143	1.9
153.15215	1.8
194.24353	1.8
201.98053	1.8
237.09052	7.0
265.08600	44.4
267.10303	8.7
282.08826	6.9
284.10461	2.0
297.11206	31.8
327.20016	2.1
334.10941	3.1
604.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31268	2.4
53.03954	6.1
53.10081	2.2
55.36393	2.1
57.07067	13.9
67.05501	10.7
69.03424	3.5
69.07076	5.1
71.08642	5.8
72.24138	3.3
73.02926	21.6
81.03416	12.0
81.07059	6.3
83.08602	3.2
85.02889	4.7
85.10166	5.6
87.04465	4.0
95.08596	15.7
97.02862	20.1
99.04460	100.0
109.02865	12.3
109.10139	11.4
123.11719	5.1
127.03948	20.4
132.77008	3.0
133.10039	3.5
138.83707	2.9
162.60435	2.2
225.22151	4.5
243.08589	20.6
321.09689	3.0
337.12723	3.0
338.13638	4.1
425.28604	3.5
437.90002	3.0
449.28806	3.2
467.30209	21.3
485.30783	11.1
511.14938	3.5
604.36218	6.3
604.52271	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76658	1.2
52.69619	1.1
72.05669	1.4
77.53965	1.3
78.14486	1.3
78.90482	1.1
79.17328	1.2
79.85600	1.2
83.23874	1.2
127.76014	1.4
137.53806	1.4
172.03926	5.9
174.05495	47.7
190.04985	74.8
196.44135	1.6
218.04544	2.8
240.35480	1.4
243.93216	1.5
305.06921	1.8
306.07715	5.4
319.08252	2.2
320.09027	8.2
321.09805	6.1
334.10721	5.1
336.08554	5.7
336.12277	8.4
337.12592	5.5
349.09567	2.1
354.09720	25.3
363.09729	2.6
382.09247	6.9
400.10269	62.0
481.10242	2.1
483.16003	2.6
496.12738	9.0
499.11069	2.6
513.12775	2.3
527.14423	1.7
542.13055	7.2
573.14984	41.1
605.17572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
92.21551	4.4
107.04973	5.8
119.04979	5.5
139.05412	4.3
148.80222	4.0
149.06010	7.1
151.60542	4.7
153.05504	10.0
165.06999	5.9
167.07039	23.6
167.08453	7.2
174.92656	5.3
177.05515	5.5
179.07008	10.6
179.08447	5.0
183.08087	5.5
191.07025	8.0
195.08087	26.2
199.07607	6.6
205.06421	6.0
207.08060	9.9
209.06343	4.5
209.07991	35.1
211.07475	7.7
223.07648	33.2
223.09595	7.2
225.09009	5.8
229.08636	18.4
234.06747	6.2
235.07547	10.2
239.07022	8.1
241.08585	30.7
243.10133	10.2
251.07027	26.8
255.06490	7.6
255.10162	40.0
256.07614	4.9
257.11807	7.3
259.09692	9.5
265.08591	7.6
266.09644	4.5
267.06540	7.7
267.10172	32.1
268.07242	7.6
269.08215	48.1
271.09598	8.0
273.11038	4.8
279.06607	10.6
281.07974	6.7
282.08780	9.4
283.09579	62.1
285.07736	6.2
287.09171	16.0
293.07993	8.3
295.09610	21.2
299.09167	52.7
301.10657	27.5
311.09134	100.0
313.10757	10.5
315.12231	16.3
318.07535	5.9
319.08398	32.4
320.08945	31.2
325.10703	17.2
329.10202	17.6
334.10553	35.9
335.11105	31.7
338.13669	7.5
339.08591	18.3
343.11737	88.2
345.13229	10.0
357.09711	37.4
371.11194	89.7
389.12155	30.6
479.17010	23.6
509.18134	6.1
511.19653	10.6
537.17719	9.6
558.74414	4.9
605.16345	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58587	0.3
59.27065	0.2
63.69512	0.3
66.08044	0.3
69.03421	1.9
81.03419	4.7
85.02896	1.8
85.28336	0.3
87.79467	0.3
91.05483	7.4
99.04431	0.5
103.05470	5.3
107.04954	0.5
109.02902	1.6
119.04939	23.2
123.63538	0.3
131.04918	17.1
133.06458	0.4
137.05963	0.6
145.02847	0.5
147.04407	29.1
148.05179	1.9
157.03961	2.5
161.05974	1.3
163.07520	4.3
167.07022	1.3
168.05640	0.3
168.07397	0.3
175.03897	79.9
177.05482	1.3
179.07022	2.2
187.07520	1.2
189.05417	1.6
207.06517	100.0
215.06981	0.4
219.06693	0.3
219.10205	0.4
220.10448	0.4
237.11108	0.5
251.09024	0.3
277.08664	1.4
289.10550	0.7
309.11148	1.8
320.09085	0.4
321.09949	0.4
334.10544	1.2
336.12296	1.8
337.12564	1.8
341.13693	0.5
351.10773	3.4
369.11755	7.2
411.14395	1.6
415.17767	0.4
443.17230	2.6
605.22180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58524	0.4
71.60919	0.4
77.45945	0.4
77.61986	0.4
79.18073	0.4
87.61742	0.4
104.81964	0.5
114.78761	0.4
123.60522	0.5
290.08099	7.2
302.08133	1.9
304.06033	6.3
318.07553	8.1
319.08371	45.2
320.09119	1.1
321.09363	0.6
334.10730	100.0
335.11136	0.7
374.13821	1.7
386.13782	3.8
420.12650	0.6
484.21304	1.0
605.23212	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37560	0.7
57.07080	1.2
67.05521	1.8
69.07084	1.3
77.30232	1.0
79.05481	0.9
81.07072	4.5
83.08645	1.1
91.05460	1.2
93.07038	3.8
95.08624	1.9
105.07068	1.0
107.08613	2.1
109.10184	2.2
119.08597	2.1
121.10110	1.3
133.10194	2.2
135.11844	1.1
135.30118	1.0
140.34142	0.9
157.10115	1.1
159.11748	1.4
172.22353	0.9
177.12852	1.0
247.09190	0.9
313.27362	1.1
319.08533	1.4
320.08731	1.2
334.10657	1.4
335.11142	3.3
444.19101	1.4
445.24252	1.3
458.21210	3.4
459.21808	4.0
460.22852	1.5
471.22125	1.6
473.23740	1.9
475.21606	1.1
486.20590	1.0
487.21368	5.2
488.22238	4.2
489.22925	2.2
499.21207	3.3
501.22894	28.6
503.20993	3.7
517.22296	9.5
545.21844	17.9
546.22589	6.5
550.77667	1.2
587.46283	1.5
605.23987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25421	0.6
63.94807	0.5
66.72486	0.5
67.05515	0.9
73.86750	0.6
75.40579	0.5
79.05493	0.7
83.44785	0.6
93.07063	0.6
99.76209	0.7
104.38675	0.7
121.06530	0.7
159.27246	0.6
217.17625	0.6
292.09616	9.0
306.07623	0.9
309.03140	0.7
315.80164	0.7
320.09189	11.0
321.09921	32.8
336.12271	100.0
337.12558	1.3
482.64676	0.7
551.32739	0.6
605.28552	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3679
Annotation	Aeruginosin 298-A
Peak:m/z	Relative Intensity
50.63292	2.6
53.03957	7.1
55.05520	7.1
55.43196	2.6
61.47286	2.9
67.05489	15.1
69.03418	13.6
69.07059	7.0
71.04969	4.3
73.02917	7.6
75.80257	3.5
77.91647	3.1
79.05511	6.2
81.03400	25.1
81.07066	27.4
83.04996	4.1
84.63380	3.0
85.02900	13.0
87.04463	3.3
90.24278	3.5
91.05476	6.7
91.18320	3.0
93.07036	19.1
95.04923	4.5
95.08620	27.6
95.67077	3.0
99.04450	100.0
105.07027	22.0
107.04945	3.8
107.08573	17.9
109.10145	6.5
115.03971	5.0
119.08585	23.6
120.71154	3.8
121.10162	6.0
122.37108	3.7
127.03911	6.3
131.08568	15.2
133.10118	17.7
143.08469	5.6
145.10164	27.3
145.11075	3.3
147.11671	5.0
149.09702	3.3
149.13341	3.3
157.10138	13.0
159.11678	22.7
169.10080	4.3
171.11713	6.8
173.13246	5.8
175.14801	5.8
189.16287	6.1
201.16476	5.4
203.10701	3.7
215.18030	3.3
239.17984	4.1
267.41873	3.5
327.26788	5.8
336.12192	14.1
337.12509	13.3
339.44687	3.4
345.27533	5.1
491.48218	3.4
551.33484	7.5
569.34210	17.7
587.35797	37.4
605.37207	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46989	1.3
60.46691	1.0
63.31417	1.2
72.50266	1.3
80.78423	1.1
95.20041	1.3
107.63189	1.1
119.53723	1.3
125.55482	1.2
145.46448	1.2
154.90741	1.3
170.76459	1.2
188.19244	1.3
290.08176	5.2
304.06131	1.8
318.07416	3.0
319.08286	15.6
320.08917	11.1
321.09781	1.5
322.10471	2.1
334.06995	4.7
334.10703	35.7
335.11057	11.2
336.12198	13.6
349.09433	2.7
366.11157	5.9
367.12054	8.0
368.09201	2.9
369.09924	4.9
370.10681	34.4
382.10956	5.0
383.11530	6.1
384.12350	2.6
385.13284	2.5
396.08624	5.3
398.14111	5.0
408.10736	6.3
409.09558	11.1
412.07651	2.4
412.12482	1.7
414.09711	9.4
427.10538	5.7
442.13004	16.2
444.14346	2.0
456.14487	1.9
470.12497	2.7
493.13730	2.3
508.15942	11.8
514.14758	15.3
544.19806	12.1
574.15228	2.3
589.00293	1.5
606.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87485	0.5
71.55145	0.5
106.65496	0.6
115.79406	0.6
127.04326	0.5
134.81303	0.5
135.41661	0.6
146.36533	0.6
148.56482	0.7
164.16162	0.6
188.55299	0.6
220.86763	0.5
229.24170	0.6
278.08255	1.3
279.08981	5.2
307.08438	1.3
308.09360	2.5
310.07452	0.7
319.08377	1.2
320.09308	2.9
321.09897	1.1
322.10672	1.0
323.11508	13.5
324.12543	0.6
334.10641	4.9
335.11612	1.0
336.12186	4.8
338.13821	0.8
350.13910	5.2
351.14676	13.7
372.12555	1.2
378.13321	6.2
384.08667	1.2
388.16251	0.8
389.12848	1.2
390.17520	1.1
406.16577	2.3
416.15298	2.9
419.13684	13.0
430.12677	0.7
434.16037	45.3
442.13068	0.9
442.27109	0.8
459.13330	0.9
472.14285	0.8
476.17535	2.8
487.12848	2.7
502.15015	35.3
514.14923	4.4
562.18701	2.4
590.18103	3.8
606.21356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29010	0.3
75.95629	0.3
79.35407	0.3
87.38383	0.3
127.51962	0.3
148.30244	0.3
175.17865	0.3
192.35880	0.3
220.43965	0.4
246.61603	0.3
264.37949	0.3
271.46628	0.3
307.08429	1.5
308.09253	1.5
320.09052	1.1
323.11517	11.6
324.12369	1.3
334.10956	1.3
335.11777	0.5
336.12405	0.6
350.13828	6.3
351.14676	15.7
362.14325	0.4
378.13330	7.1
388.15353	0.8
390.12729	0.5
390.17401	2.2
405.15793	0.5
406.16452	2.1
416.15210	2.9
419.13632	13.8
431.13660	0.6
432.14499	0.4
434.15976	46.6
442.12955	1.5
458.12390	0.6
459.13306	1.4
461.14746	0.5
474.15802	0.6
476.16803	2.5
484.14050	1.3
486.12061	0.4
487.12527	2.9
502.14926	36.5
514.14929	5.4
562.18695	1.9
590.18066	3.2
592.63684	0.4
606.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74338	0.4
53.77844	0.4
71.21748	0.4
71.86089	0.4
88.25297	0.4
123.52354	0.4
151.13814	0.5
188.62962	0.5
290.08078	8.3
294.11212	0.5
302.08026	2.3
304.06058	8.2
318.07620	11.4
319.08389	46.9
320.09174	6.5
321.09525	0.7
322.10330	0.6
334.10724	100.0
335.11230	0.5
336.12216	3.6
338.20367	0.5
439.68866	0.5
588.20776	0.8
606.22333	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67396	0.6
58.33826	0.6
71.08556	0.6
87.16004	0.7
119.03178	0.6
125.28426	0.6
199.71428	0.7
290.08090	7.6
302.08142	0.9
304.06030	7.1
310.94385	0.7
318.07596	10.6
319.08377	46.5
320.09171	9.3
321.09753	1.1
322.10809	1.4
323.10980	0.7
334.10715	100.0
336.12485	3.3
338.13858	1.3
588.21265	0.9
606.22522	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
53.77155	0.3
55.71724	0.3
69.03424	0.3
71.54516	0.3
72.76349	0.3
81.03394	0.7
85.02905	3.3
86.72530	0.3
97.02872	1.4
99.04452	15.7
103.05472	2.4
107.04986	0.6
109.02906	0.4
117.05493	1.9
120.08099	100.0
127.03909	1.9
131.04910	3.8
145.04941	1.9
149.05945	2.6
162.07602	0.6
163.06012	0.6
166.08620	44.9
189.59421	0.3
196.72856	0.4
261.09589	5.1
265.12878	0.4
279.10608	0.3
299.04733	0.4
318.60324	0.3
410.07867	0.4
413.81876	0.4
423.15112	0.6
552.71832	0.3
606.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39628	0.2
55.05491	0.2
64.00228	0.2
65.03932	0.2
66.42699	0.2
69.03438	0.4
70.06590	0.4
78.31026	0.2
81.03405	0.8
83.04971	0.5
85.02918	0.4
91.05486	1.6
97.02910	0.3
99.04432	0.3
99.68348	0.2
101.06028	0.2
103.56150	0.2
109.02874	0.3
119.04185	0.3
119.04942	5.2
127.03895	0.3
139.49304	0.2
147.04404	100.0
162.09207	0.2
165.05450	1.5
177.05460	0.3
247.09576	0.8
265.10663	5.3
266.29880	0.2
291.08618	0.3
307.08365	0.4
309.09628	7.0
407.89771	0.2
427.10367	0.2
427.16046	1.2
530.18890	0.2
536.79663	0.3
606.23224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33086	0.2
64.79488	0.3
81.03395	0.4
89.17064	0.3
94.95860	0.3
105.91332	0.3
110.48562	0.3
121.06532	0.3
121.32883	0.3
125.16575	0.3
165.04100	0.3
165.87952	0.3
174.23059	0.3
181.39488	0.3
249.82068	0.3
278.07864	0.5
292.09659	10.1
304.09686	1.5
306.07489	4.0
320.09174	14.2
321.09937	29.9
334.10629	0.4
336.12271	100.0
427.13708	0.3
606.26630	3.7
625.98425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18234	1.2
56.78184	1.1
63.60992	1.1
72.88612	1.3
78.36200	1.3
78.40467	1.2
91.05450	1.3
91.70625	1.2
93.07021	1.6
132.04404	1.8
136.05148	1.5
148.05223	1.9
149.06000	16.7
155.08046	1.3
173.33342	1.4
174.05516	2.4
175.06284	3.3
176.07077	41.3
177.07855	7.2
185.05917	2.3
192.06546	40.1
192.10188	11.1
194.08182	9.9
198.86696	1.4
199.07477	1.8
211.07523	1.9
215.07042	1.9
319.17087	1.7
320.09064	24.0
321.09747	2.2
322.10547	2.1
336.12225	12.5
346.11282	1.6
349.18051	1.8
352.15347	1.7
407.18121	1.9
606.26953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72200	0.4
52.29792	0.4
57.97746	0.4
76.78009	0.4
143.04512	0.5
156.55496	0.5
219.46660	0.5
292.09659	11.2
304.09573	0.9
306.07608	2.6
319.08115	0.6
320.09177	14.2
321.09937	34.8
322.10416	2.1
323.11670	0.5
334.10657	1.0
336.12289	100.0
337.12863	2.3
338.13596	2.3
352.15256	0.7
606.27026	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54261	0.3
56.07172	0.3
57.95202	0.2
92.21611	0.4
105.01024	0.3
113.05023	0.3
114.50822	0.3
137.74110	0.4
169.02206	0.3
169.55344	0.4
199.01685	0.4
202.59764	0.3
254.53465	0.4
292.09628	5.3
306.07281	0.4
319.08337	0.7
320.09167	100.0
321.09802	7.6
322.10504	0.8
334.10815	1.4
336.12283	17.9
337.12503	0.5
338.12775	0.4
358.44785	0.4
360.20792	0.4
606.27063	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93227	0.4
65.61121	0.4
68.38605	0.3
79.45610	0.3
91.35985	0.3
172.66582	0.4
292.09674	4.4
320.09171	100.0
321.09744	6.4
334.10730	0.7
336.12305	14.6
336.16458	0.5
606.27087	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55695	0.3
63.17558	0.4
95.31578	0.4
106.41254	0.4
106.42014	0.4
113.81809	0.5
133.78609	0.4
134.89752	0.5
164.30109	0.4
187.15657	0.4
292.09622	5.0
306.07739	0.8
314.06677	0.8
320.09161	100.0
321.09866	7.8
334.10681	1.5
336.12271	24.7
337.12585	0.8
338.13596	0.6
606.27008	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08109	2.2
58.06607	81.4
58.06880	4.2
67.23489	2.2
69.03457	2.5
69.48679	2.0
73.07935	1.8
85.02905	4.9
85.06560	17.4
96.09541	2.0
121.60601	2.0
137.05943	2.7
190.08652	9.1
192.10220	18.1
207.08119	2.8
208.09775	9.9
211.07549	3.3
219.08104	2.9
223.07784	2.2
237.09169	15.6
239.07066	3.3
265.08588	62.3
266.33139	2.0
266.54681	2.1
271.09741	3.3
282.08945	12.0
283.09747	2.2
293.07983	2.9
295.59201	2.4
297.11200	50.7
299.93973	2.1
314.13980	2.4
327.74597	2.5
340.15707	2.6
342.13345	13.4
342.17126	8.6
430.55890	2.1
444.10965	8.2
444.23865	3.3
606.16418	9.9
606.29565	100.0
610.42413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08109	2.2
58.06607	81.4
58.06880	4.2
67.23489	2.2
69.03457	2.5
69.48679	2.0
73.07935	1.8
85.02905	4.9
85.06560	17.4
96.09541	2.0
121.60601	2.0
137.05943	2.7
190.08652	9.1
192.10220	18.1
207.08119	2.8
208.09775	9.9
211.07549	3.3
219.08104	2.9
223.07784	2.2
237.09169	15.6
239.07066	3.3
265.08588	62.3
266.33139	2.0
266.54681	2.1
271.09741	3.3
282.08945	12.0
283.09747	2.2
293.07983	2.9
295.59201	2.4
297.11200	50.7
299.93973	2.1
314.13980	2.4
327.74597	2.5
340.15707	2.6
342.13345	13.4
342.17126	8.6
430.55890	2.1
444.10965	8.2
444.23865	3.3
606.16418	9.9
606.29565	100.0
610.42413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70586	0.6
56.14257	0.6
59.82491	0.5
63.73365	0.6
67.05485	0.6
67.61868	0.6
70.30347	0.8
71.32989	0.7
81.07077	1.4
82.35188	0.6
91.05545	0.7
93.07092	1.0
107.08675	0.7
131.04987	2.7
135.04494	1.0
135.08073	0.8
148.07582	1.4
149.05963	9.1
161.06009	3.2
176.07071	97.1
178.08644	13.4
218.55977	0.7
225.09258	1.2
231.10266	1.5
234.25072	0.7
239.10699	1.1
253.12325	1.0
261.41452	0.7
271.09753	0.9
292.09656	1.1
293.10114	1.0
294.11093	1.2
317.50604	0.7
320.09244	3.5
321.09958	5.9
322.10446	4.9
323.11398	8.5
336.12271	17.3
337.12677	8.7
338.13724	28.1
347.13010	0.8
423.21591	2.7
509.02350	0.9
550.47150	0.7
588.29413	0.9
606.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70586	0.6
56.14257	0.6
59.82491	0.5
63.73365	0.6
67.05485	0.6
67.61868	0.6
70.30347	0.8
71.32989	0.7
81.07077	1.4
82.35188	0.6
91.05545	0.7
93.07092	1.0
107.08675	0.7
131.04987	2.7
135.04494	1.0
135.08073	0.8
148.07582	1.4
149.05963	9.1
161.06009	3.2
176.07071	97.1
178.08644	13.4
218.55977	0.7
225.09258	1.2
231.10266	1.5
234.25072	0.7
239.10699	1.1
253.12325	1.0
261.41452	0.7
271.09753	0.9
292.09656	1.1
293.10114	1.0
294.11093	1.2
317.50604	0.7
320.09244	3.5
321.09958	5.9
322.10446	4.9
323.11398	8.5
336.12271	17.3
337.12677	8.7
338.13724	28.1
347.13010	0.8
423.21591	2.7
509.02350	0.9
550.47150	0.7
588.29413	0.9
606.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.62114	1.0
67.05508	5.8
69.03427	5.4
69.63221	1.2
70.80479	1.3
71.04988	2.2
73.02915	34.9
79.54964	1.2
81.03424	19.4
81.07078	1.8
83.04974	6.2
85.02907	5.2
87.04472	2.7
93.07034	2.5
95.04945	1.7
95.08590	1.7
97.02883	5.6
97.06546	2.1
99.04453	100.0
103.24165	1.2
107.08609	1.9
109.02868	16.4
109.10133	10.6
111.04440	32.0
111.08059	6.2
118.92701	1.2
119.08656	2.0
121.06493	1.2
121.10140	5.5
122.74823	1.3
127.03893	22.5
131.08530	3.2
135.11653	9.8
141.05476	2.7
145.10104	5.6
147.11693	2.5
149.09633	1.9
153.12738	23.0
163.11156	29.6
173.09653	7.8
177.09161	1.3
181.12213	45.1
191.10655	31.2
209.11682	10.6
225.07516	10.7
227.12743	35.5
241.99234	1.5
243.08598	21.8
271.13309	1.6
290.08014	1.5
317.13882	10.5
319.08377	8.9
320.09119	43.3
325.16553	2.1
334.10715	14.9
335.14883	8.3
336.12234	9.2
340.11884	1.7
353.15921	5.2
371.16965	6.4
433.18533	19.7
451.19550	28.9
459.78342	1.6
469.20700	33.3
487.22812	1.6
606.18073	2.7
606.28473	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.62114	1.0
67.05508	5.8
69.03427	5.4
69.63221	1.2
70.80479	1.3
71.04988	2.2
73.02915	34.9
79.54964	1.2
81.03424	19.4
81.07078	1.8
83.04974	6.2
85.02907	5.2
87.04472	2.7
93.07034	2.5
95.04945	1.7
95.08590	1.7
97.02883	5.6
97.06546	2.1
99.04453	100.0
103.24165	1.2
107.08609	1.9
109.02868	16.4
109.10133	10.6
111.04440	32.0
111.08059	6.2
118.92701	1.2
119.08656	2.0
121.06493	1.2
121.10140	5.5
122.74823	1.3
127.03893	22.5
131.08530	3.2
135.11653	9.8
141.05476	2.7
145.10104	5.6
147.11693	2.5
149.09633	1.9
153.12738	23.0
163.11156	29.6
173.09653	7.8
177.09161	1.3
181.12213	45.1
191.10655	31.2
209.11682	10.6
225.07516	10.7
227.12743	35.5
241.99234	1.5
243.08598	21.8
271.13309	1.6
290.08014	1.5
317.13882	10.5
319.08377	8.9
320.09119	43.3
325.16553	2.1
334.10715	14.9
335.14883	8.3
336.12234	9.2
340.11884	1.7
353.15921	5.2
371.16965	6.4
433.18533	19.7
451.19550	28.9
459.78342	1.6
469.20700	33.3
487.22812	1.6
606.18073	2.7
606.28473	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04239	1.4
53.03951	11.9
55.01862	1.8
55.05507	9.4
57.07088	2.2
60.04535	2.4
66.20072	1.6
67.05510	21.6
69.03432	16.6
69.07066	9.4
71.04977	2.1
73.02538	2.1
73.02909	21.4
78.14468	1.5
79.05503	18.3
81.03423	22.1
81.07056	28.8
83.08607	4.1
85.02912	10.8
86.02444	3.7
86.06130	2.2
86.36261	1.8
87.04471	3.8
91.05478	10.5
91.85628	1.9
93.07034	23.1
95.04963	4.1
95.08154	1.8
95.08622	26.1
97.02912	14.3
97.06583	2.1
99.04458	100.0
104.04323	1.7
105.07032	12.8
107.08617	18.4
109.02901	4.4
109.06540	1.9
109.10190	14.0
111.04464	7.4
117.06986	4.5
119.08566	12.7
121.10133	18.5
127.03084	2.0
127.03899	14.8
128.07095	3.5
129.06982	3.3
131.08563	10.4
133.10124	10.5
135.11725	4.5
143.08551	4.7
145.05083	2.0
145.10143	9.9
147.04391	4.4
147.11682	4.6
149.13300	3.2
155.08594	3.1
157.10091	3.0
159.11668	4.4
161.13211	3.3
171.11681	2.6
173.13243	3.3
194.08244	3.0
211.14912	2.2
231.44608	2.4
239.72929	2.3
243.08632	10.9
259.20718	2.0
261.22113	9.9
298.07239	4.1
300.08575	7.7
344.07733	9.3
347.11060	2.1
351.23050	3.6
369.24121	7.8
371.25787	3.0
387.25156	2.6
389.26819	2.1
405.26288	2.5
407.27927	2.8
467.27948	9.6
485.28970	11.0
503.29861	9.6
503.74771	2.2
570.44659	4.4
588.45752	2.8
606.30762	9.0
623.84637	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21070	1.8
50.59230	1.6
51.97271	1.9
59.80995	1.9
67.05473	4.1
69.07079	13.3
71.08627	1.9
77.52083	1.7
80.18382	1.8
81.07080	6.9
93.07050	2.6
95.06039	2.5
95.08597	2.5
97.10199	2.4
99.04473	3.8
109.10201	3.8
146.37057	1.8
167.80659	2.6
174.02597	2.0
238.72665	2.4
255.07495	3.9
267.11172	2.1
269.09177	5.2
295.10904	3.6
297.12415	2.8
304.86746	2.2
309.12323	2.8
310.12924	2.9
311.13794	15.8
320.09009	2.4
323.13849	4.0
326.95526	2.0
336.08627	3.2
336.14798	2.3
365.18591	44.2
379.20151	43.0
417.24982	2.9
435.26312	3.4
503.32639	55.6
508.40274	2.3
519.31635	7.3
562.40063	100.0
606.39325	33.9
606.48120	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.4
63.78438	2.3
67.05507	21.4
69.07066	17.6
79.05498	18.9
81.07059	16.3
83.04994	3.6
83.08624	5.9
85.06525	2.8
91.05467	16.9
93.07036	21.7
95.08609	16.5
97.10178	3.9
98.10733	2.7
101.30459	2.6
105.07039	17.7
107.08586	24.6
109.06564	4.1
109.10139	11.3
113.06065	3.1
119.08593	15.2
121.10110	20.8
121.39031	2.7
123.11708	3.5
125.05978	3.0
127.03930	6.8
131.08540	5.5
133.10130	12.6
135.11723	27.7
137.05972	17.1
139.03859	20.9
145.10129	13.9
147.11723	10.0
149.09618	12.4
153.05475	17.5
153.12753	3.8
159.11633	4.8
160.39948	3.0
161.13306	3.7
163.07614	4.6
163.11150	3.9
171.11574	3.4
173.13277	4.4
180.63768	2.8
201.16437	3.2
219.17479	10.7
247.16727	3.1
261.22104	4.4
262.46704	2.9
265.17969	60.4
275.17151	4.1
275.20026	42.8
277.21237	3.6
293.17508	100.0
293.21109	11.2
311.18640	20.9
542.93481	3.5
553.38538	10.1
571.39716	33.0
589.62842	3.1
606.25049	5.2
606.45612	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.5
57.03437	1.9
62.10421	2.0
67.05517	17.9
69.07067	12.4
69.71929	1.9
70.97342	2.3
79.05499	14.8
81.07061	27.2
83.05005	8.7
83.08637	4.2
91.05493	11.9
93.07044	25.3
95.04971	2.4
95.08649	18.6
97.06551	3.8
97.10173	4.8
99.04486	2.6
105.07040	13.5
107.08604	22.9
109.06501	4.5
109.10179	12.4
111.04395	2.7
111.08097	2.5
113.06010	2.3
117.07061	2.3
119.08601	16.8
121.10173	11.1
123.11723	3.6
125.05981	7.4
125.09644	2.7
125.51298	2.1
127.03899	13.7
131.08586	8.7
133.10161	20.1
134.39684	2.6
135.11720	23.2
137.05989	14.6
137.14577	2.2
139.03883	24.9
143.08467	3.1
143.39796	2.2
145.10146	11.7
147.11676	11.5
149.09650	4.5
149.13239	3.2
153.05518	16.3
153.12700	3.7
159.11700	5.0
161.13309	8.8
177.09103	8.3
198.08615	2.1
201.16339	4.1
209.19009	2.7
219.17439	8.5
237.18488	7.8
247.16919	2.8
256.31335	2.2
261.22086	3.9
265.17972	61.1
275.16727	3.1
275.20087	37.5
293.17529	100.0
293.21024	16.7
311.18549	20.3
405.62430	2.8
553.39032	10.2
571.39911	30.9
606.24969	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60076	2.9
55.05519	8.9
59.44251	2.8
60.37678	3.3
67.05512	23.7
68.10502	3.6
69.07060	20.9
74.77439	3.1
76.12477	3.5
79.05508	30.5
81.07056	37.1
83.08644	6.1
91.05478	13.8
93.07051	40.5
93.98221	4.3
95.04940	6.8
95.08619	35.3
97.10179	7.4
105.07053	33.7
107.04224	3.7
107.04977	3.9
107.08614	34.3
109.10184	18.3
111.08022	3.7
117.07028	5.0
118.65611	3.6
119.07865	3.3
119.08590	33.8
121.10161	20.6
129.32440	4.2
131.08583	7.2
133.10106	34.9
135.08087	3.6
135.11688	8.1
135.93715	3.7
143.75957	3.9
145.10135	17.6
147.11711	15.8
149.09625	7.9
149.13246	5.3
157.10146	8.0
159.11725	6.7
161.13246	6.7
257.19058	7.9
261.21964	4.7
275.20050	100.0
293.20975	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46185	0.5
55.01871	0.5
69.03428	4.3
71.31469	0.4
73.02910	0.9
77.75562	0.5
81.03417	2.7
83.97900	0.5
85.02909	9.2
87.00843	2.8
97.02878	2.9
99.04453	4.0
102.98263	0.5
105.01865	2.7
109.02868	2.7
115.03930	2.3
125.02371	0.6
127.03899	4.9
129.06992	3.7
131.08565	2.8
135.04405	0.7
137.05986	2.2
141.06952	1.9
143.08678	0.7
149.06009	1.0
157.06473	6.2
159.02814	0.7
159.07976	4.0
163.71526	0.6
169.06499	3.6
171.08047	0.8
173.05975	3.5
185.05968	0.6
187.07541	24.6
189.09122	2.3
199.07523	7.8
201.09102	6.4
217.08595	100.0
235.09621	3.5
247.04646	0.6
285.07516	5.7
336.12357	1.2
339.12234	0.7
447.12836	0.7
465.13623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19799	0.3
77.72531	0.3
81.45920	0.4
83.44860	0.3
89.46883	0.3
91.05482	0.4
95.21464	0.3
107.91429	0.3
119.08564	0.3
145.52414	0.3
147.08043	0.4
270.17682	0.3
276.06650	0.3
278.34201	0.4
290.08096	7.8
302.08109	3.0
304.06012	7.2
305.34406	0.3
318.07596	10.2
319.08383	43.0
320.08627	1.0
331.79065	0.3
334.10718	100.0
336.12341	0.6
347.22324	0.5
364.56506	0.4
374.37091	0.3
607.21942	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19799	0.3
77.72531	0.3
81.45920	0.4
83.44860	0.3
89.46883	0.3
91.05482	0.4
95.21464	0.3
107.91429	0.3
119.08564	0.3
145.52414	0.3
147.08043	0.4
270.17682	0.3
276.06650	0.3
278.34201	0.4
290.08096	7.8
302.08109	3.0
304.06012	7.2
305.34406	0.3
318.07596	10.2
319.08383	43.0
320.08627	1.0
331.79065	0.3
334.10718	100.0
336.12341	0.6
347.22324	0.5
364.56506	0.4
374.37091	0.3
607.21942	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51630	2.2
86.09718	3.3
90.05939	3.4
97.02952	2.6
99.04440	4.0
105.07003	5.0
107.04926	4.5
118.47204	3.5
121.81249	2.9
133.06601	4.5
151.07637	3.8
161.05984	20.1
163.07553	5.0
166.06273	17.7
169.06615	3.4
175.07568	14.6
177.05469	4.2
181.08597	63.8
190.06311	32.2
191.06970	4.0
199.07573	11.1
201.09090	14.9
205.08618	71.7
206.09229	5.0
245.08081	5.3
261.09192	3.5
275.10785	5.7
276.11411	5.3
277.08667	5.8
279.10239	3.5
291.10101	13.6
292.10739	4.3
293.11697	5.3
295.09564	5.2
295.13290	5.1
303.10272	3.8
304.10938	5.0
305.08105	11.8
305.11789	17.3
306.12292	4.7
307.09909	5.0
307.13309	25.0
309.11154	15.7
310.12015	17.2
313.10724	5.4
318.07590	5.4
319.08362	24.6
320.09094	57.3
321.09177	34.4
322.11575	4.4
323.12686	40.5
334.10721	51.0
335.12903	41.5
336.12866	24.5
337.10651	4.0
337.14325	6.3
338.15039	44.1
339.11902	5.7
341.13837	20.8
341.17419	3.6
367.15497	46.3
369.16937	100.0
380.31604	3.3
398.32474	3.0
458.79041	3.4
493.18182	6.1
547.21747	21.5
548.41199	4.2
607.17743	18.5
607.27148	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51630	2.2
86.09718	3.3
90.05939	3.4
97.02952	2.6
99.04440	4.0
105.07003	5.0
107.04926	4.5
118.47204	3.5
121.81249	2.9
133.06601	4.5
151.07637	3.8
161.05984	20.1
163.07553	5.0
166.06273	17.7
169.06615	3.4
175.07568	14.6
177.05469	4.2
181.08597	63.8
190.06311	32.2
191.06970	4.0
199.07573	11.1
201.09090	14.9
205.08618	71.7
206.09229	5.0
245.08081	5.3
261.09192	3.5
275.10785	5.7
276.11411	5.3
277.08667	5.8
279.10239	3.5
291.10101	13.6
292.10739	4.3
293.11697	5.3
295.09564	5.2
295.13290	5.1
303.10272	3.8
304.10938	5.0
305.08105	11.8
305.11789	17.3
306.12292	4.7
307.09909	5.0
307.13309	25.0
309.11154	15.7
310.12015	17.2
313.10724	5.4
318.07590	5.4
319.08362	24.6
320.09094	57.3
321.09177	34.4
322.11575	4.4
323.12686	40.5
334.10721	51.0
335.12903	41.5
336.12866	24.5
337.10651	4.0
337.14325	6.3
338.15039	44.1
339.11902	5.7
341.13837	20.8
341.17419	3.6
367.15497	46.3
369.16937	100.0
380.31604	3.3
398.32474	3.0
458.79041	3.4
493.18182	6.1
547.21747	21.5
548.41199	4.2
607.17743	18.5
607.27148	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63925	2.9
57.85396	3.9
71.53681	3.5
107.04989	14.6
137.05978	4.9
149.07780	3.4
152.51834	4.0
163.07529	17.4
166.06261	13.8
175.07568	21.7
181.08577	36.3
190.06268	22.5
191.06932	6.8
201.09117	7.6
205.08629	43.4
206.09319	4.7
207.10168	16.6
263.10599	7.5
278.12943	14.6
279.09842	5.6
291.10226	5.6
295.09729	4.4
305.11499	3.8
306.12515	8.6
307.13272	8.1
309.11160	23.3
309.14578	7.6
310.12137	26.7
313.10782	8.6
320.09134	65.6
321.09393	57.0
323.12732	26.7
334.10690	4.8
336.12201	26.2
337.12982	36.7
338.15051	22.1
339.12137	7.3
341.13828	51.5
356.16251	16.6
369.16995	56.2
372.15610	23.7
387.17975	64.6
391.42371	5.1
438.48370	3.6
456.35312	4.6
483.90808	4.4
547.21765	100.0
607.26752	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.12613	0.6
55.66949	0.6
57.34217	0.7
61.28934	0.7
63.82874	0.8
67.60350	0.8
75.94681	0.9
85.31866	0.7
87.80025	0.8
88.46190	0.7
121.30225	0.8
131.05933	0.7
133.74419	0.9
148.67844	0.8
172.28615	0.9
179.31619	0.8
181.97845	0.9
204.10814	0.9
236.22197	0.8
433.23773	1.6
444.23749	0.9
446.24695	7.0
458.25128	0.9
460.22726	3.6
474.24020	4.0
475.20966	21.6
487.21066	8.7
492.25363	3.7
501.22879	11.3
502.23651	10.2
503.24164	1.5
519.23840	4.1
547.23364	29.8
547.30908	1.7
548.24091	5.0
586.22186	0.9
607.25476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
60.57092	1.1
62.08939	1.0
64.51714	1.3
69.07085	1.3
81.07072	2.3
85.54330	1.3
96.42597	1.5
120.27274	1.5
121.10243	1.4
121.96805	1.2
139.92770	1.3
150.28448	1.3
152.42719	1.2
157.75623	1.2
160.61310	1.4
167.63599	1.2
174.46629	1.2
200.74811	1.3
303.21884	1.3
377.31403	1.6
431.18579	1.8
433.20148	2.7
445.20163	5.5
446.21106	13.1
447.21356	12.9
461.19391	2.6
462.45898	1.5
474.20660	9.9
475.21335	8.1
487.21567	1.6
491.20932	2.9
501.23065	1.8
505.22186	2.7
519.24109	32.2
547.23401	28.0
579.26324	9.8
607.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
57.07086	1.7
67.00740	0.8
67.05505	2.2
69.07087	1.5
79.05500	2.0
81.07059	4.4
81.07510	0.9
85.10211	1.2
86.64866	0.8
90.79853	1.0
91.05492	3.5
93.07053	4.2
95.08601	4.5
102.56126	0.9
105.07062	2.2
107.08627	2.0
109.02951	1.0
109.10152	1.5
117.07062	1.3
119.08599	1.3
121.10149	1.3
125.09541	1.0
131.08595	1.2
133.10178	3.2
143.08510	1.0
148.55467	1.0
228.18217	1.1
228.40158	1.0
313.86536	0.9
386.48154	1.0
419.22449	2.1
431.18726	1.3
445.20340	4.3
446.20963	6.7
447.21616	11.7
461.20193	1.2
463.25131	2.0
474.20297	12.8
475.21347	14.0
487.21170	1.7
490.24118	2.1
491.20825	5.2
501.22885	3.4
503.24387	4.6
507.91147	1.0
519.24194	21.5
547.23407	44.7
551.26740	1.0
579.25781	4.8
589.47937	1.5
607.25537	100.0
607.43439	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
53.85114	0.6
55.05513	0.7
62.51793	0.7
67.05511	1.7
67.36952	0.8
67.39771	0.6
69.07085	0.8
73.65467	0.6
75.49584	0.6
79.05504	1.3
81.07066	3.0
91.05478	1.3
93.07038	4.3
95.08620	3.2
105.07043	1.1
107.08574	1.5
109.10184	1.1
111.73545	0.8
112.12569	0.7
119.08527	1.4
121.10143	1.3
133.10132	1.6
145.10103	1.0
147.11719	1.0
149.13287	0.9
161.13348	0.9
223.12320	0.9
276.20401	1.0
277.21939	1.0
289.65237	0.8
294.21307	1.1
301.95551	0.7
323.13913	4.9
382.23996	0.9
407.18408	1.8
435.17822	5.6
436.18738	1.1
445.20798	0.9
447.21692	1.2
465.22842	3.6
467.20786	1.3
474.20563	1.2
475.21390	1.1
488.22144	1.7
519.24115	1.5
522.22723	1.8
529.22803	0.9
532.21082	0.9
534.22595	3.2
547.23425	34.9
548.23749	1.0
549.21497	4.9
554.27673	0.8
579.26007	1.5
607.25421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.84728	0.7
54.77794	0.6
57.97257	0.6
69.07109	0.7
69.66917	0.7
111.03037	0.9
276.80804	0.8
337.98068	0.8
431.18756	4.9
433.23703	6.3
445.19937	1.2
446.21008	1.3
447.21768	3.9
458.79285	0.8
459.21741	4.3
460.22412	17.7
461.23355	17.1
473.23334	4.8
474.24030	1.7
487.24918	1.3
492.24908	1.5
505.21774	5.5
506.26352	0.9
519.24274	3.9
532.24115	1.1
547.27020	60.4
575.26758	1.3
579.30334	1.7
607.29126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.09869	0.7
60.42511	0.8
64.33878	0.8
71.02869	0.8
77.03127	1.1
91.81471	0.8
108.82461	0.8
138.46207	0.9
166.70148	0.8
193.55302	1.0
431.18765	1.6
433.24002	6.4
445.20264	1.5
446.20956	2.0
447.21616	3.1
459.21637	1.9
460.22537	19.2
461.23349	18.7
463.50592	0.9
473.23746	1.9
487.25092	1.7
505.22134	1.5
519.26123	1.1
547.27032	51.6
548.27679	1.6
579.29712	1.4
607.29205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68080	0.7
55.05515	1.5
57.07075	1.5
65.52152	0.8
67.05508	4.6
67.51440	0.7
69.07066	2.0
70.90053	0.8
71.08636	1.0
79.05504	1.7
81.07057	6.1
81.33942	0.8
83.08624	1.4
84.73280	0.9
85.02881	0.9
87.36819	0.9
93.07040	5.2
95.08595	5.3
97.10185	1.5
105.07056	1.5
107.08608	2.1
109.10149	1.8
121.10129	1.7
127.67113	0.9
135.11703	1.7
147.11725	1.0
161.55948	0.9
227.70555	0.9
277.21567	1.7
292.86783	0.9
294.24356	1.8
299.29053	0.9
481.15427	1.0
589.48706	1.7
607.34491	100.0
607.50098	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
57.03465	1.2
57.07093	5.7
67.05504	5.9
69.07071	6.7
71.04987	1.8
71.08642	1.5
79.05499	2.7
81.03442	1.5
81.07053	10.8
83.08614	1.7
85.02908	5.4
85.06542	3.0
93.07043	5.8
95.04972	2.0
95.08628	9.4
97.10214	1.7
97.95498	1.3
99.04462	7.0
105.07009	1.5
107.08606	4.9
109.10180	3.0
114.80043	1.2
119.08591	2.2
121.10177	2.6
126.74119	1.2
129.09673	1.2
133.10156	2.6
135.11725	1.4
213.22955	1.3
231.60027	1.6
276.38486	1.3
292.23026	1.3
294.24454	2.3
367.13486	1.7
607.34515	100.0
607.49622	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21132	0.8
52.96693	0.8
53.03950	4.9
55.01868	0.9
65.04726	0.9
68.22028	0.9
69.03441	7.9
70.06621	0.9
71.04972	0.9
72.04531	2.3
73.02926	14.1
81.03423	13.8
82.02965	1.2
83.04971	1.3
84.04513	5.1
85.02914	20.9
87.04491	3.6
96.04514	2.3
97.02901	16.6
99.04461	100.0
107.04975	2.0
107.42554	0.8
108.04482	12.4
109.02897	6.6
110.06052	1.2
115.03932	34.3
119.04962	1.7
121.02868	1.2
121.06531	18.3
122.06049	7.7
123.84953	0.8
126.05528	11.2
127.03922	11.4
128.45309	1.0
134.06020	4.1
138.05516	24.9
141.05482	6.9
143.74094	0.9
145.05016	2.2
147.04417	42.9
147.05589	1.4
148.07620	1.2
150.05515	16.9
156.06631	7.8
162.05490	10.2
168.06561	5.9
174.07649	6.0
180.06551	14.1
198.07661	5.5
216.08670	1.2
246.11139	1.6
248.78880	1.1
284.09039	1.1
296.11334	1.9
304.21646	1.0
331.24557	1.0
392.13351	2.1
396.93341	1.0
405.37711	1.0
410.14362	3.8
422.14667	4.3
439.13150	1.0
440.15585	5.1
446.16360	1.1
458.16779	1.0
476.17694	1.6
524.17535	6.1
554.18640	19.9
572.20166	17.9
590.20929	58.9
608.21973	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2278
Annotation	Torin 1
Peak:m/z	Relative Intensity
50.02783	0.6
99.77950	0.6
114.33174	0.5
296.09497	0.6
323.11429	6.1
324.12350	1.4
337.13242	0.7
350.13745	5.5
351.14667	20.6
378.13263	4.3
388.15604	1.5
390.17023	2.6
406.16660	1.3
415.14310	0.8
416.14969	3.5
419.13596	8.8
434.15985	58.9
458.12326	1.2
460.13712	5.5
461.14844	5.6
476.17224	1.3
495.02554	0.6
502.15161	0.9
562.22284	1.1
574.18628	1.4
575.19373	6.0
590.22424	8.1
608.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
124.62854	0.3
178.08647	0.3
205.99254	0.3
227.84285	0.2
231.94893	0.3
249.36957	0.4
278.08054	0.5
290.08002	1.3
291.09018	0.4
292.09564	2.6
304.06024	1.1
306.07617	1.8
308.12796	1.4
318.07559	1.5
319.08289	3.8
320.09131	11.2
320.12766	0.5
321.09894	4.5
322.10773	0.5
323.11392	0.3
334.10770	7.7
335.11145	1.2
336.12277	100.0
348.64679	0.3
441.78375	0.3
608.24420	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38771	0.4
76.95171	0.4
77.76949	0.4
90.78886	0.4
91.92325	0.4
109.41158	0.4
147.37688	0.5
155.57391	0.5
200.88605	0.4
276.06619	0.4
290.00262	0.6
290.08069	9.8
292.09586	0.7
302.08044	2.7
304.06055	8.6
308.09015	0.8
316.09625	1.7
318.07587	12.7
319.08395	52.2
320.09167	16.6
321.09952	3.4
322.10504	0.6
323.11450	1.0
334.10733	100.0
335.11017	0.8
336.12302	12.5
338.13776	2.9
344.09064	1.0
345.09973	1.1
352.08243	2.4
360.12323	0.9
364.08127	0.9
590.23212	2.9
608.24127	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65533	0.7
61.05296	0.7
73.48768	0.9
81.93118	0.7
102.15092	0.8
114.03304	0.8
128.23697	0.9
135.56158	0.8
152.31075	0.8
153.99004	0.8
292.06503	1.2
292.09668	14.5
299.09161	4.2
300.09430	8.0
304.06281	1.1
304.09769	1.0
306.07565	4.4
318.07639	4.2
319.08261	9.1
320.09155	70.5
321.06125	1.1
321.09921	32.3
322.10666	9.0
334.10757	15.8
336.12286	100.0
435.12738	1.0
608.23871	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32669	0.3
55.89808	0.3
65.52391	0.3
69.45497	0.3
70.68656	0.3
71.90289	0.3
76.93326	0.3
78.54655	0.3
102.61978	0.3
117.75871	0.3
131.61752	0.4
150.94794	0.3
186.15074	0.3
199.53787	0.3
216.64011	0.4
226.22362	0.4
247.31412	0.4
278.08099	0.4
290.08087	0.4
292.09674	10.8
300.09583	0.5
304.09610	1.3
306.07620	3.4
307.08380	0.5
318.07593	0.6
319.08218	1.4
320.09167	55.6
321.09933	28.2
322.10339	0.5
334.10687	3.1
336.12286	100.0
441.15286	0.7
608.20801	0.5
608.27942	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
81.68494	0.4
84.77257	0.4
97.65604	0.5
98.08719	0.5
101.53300	0.5
103.48303	0.5
129.54330	0.5
191.14751	0.5
217.47987	0.5
232.82907	0.5
290.08243	0.6
292.09647	12.3
304.06296	0.6
304.09610	0.8
306.07675	3.5
310.85059	0.5
319.08450	4.7
320.09161	62.7
321.09946	25.0
322.10660	3.8
334.10736	8.8
336.12280	100.0
370.23074	0.6
470.64874	0.5
595.89850	0.6
608.23120	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38771	0.4
76.95171	0.4
77.76949	0.4
90.78886	0.4
91.92325	0.4
109.41158	0.4
147.37688	0.5
155.57391	0.5
200.88605	0.4
276.06619	0.4
290.00262	0.6
290.08069	9.8
292.09586	0.7
302.08044	2.7
304.06055	8.6
308.09015	0.8
316.09625	1.7
318.07587	12.7
319.08395	52.2
320.09167	16.6
321.09952	3.4
322.10504	0.6
323.11450	1.0
334.10733	100.0
335.11017	0.8
336.12302	12.5
338.13776	2.9
344.09064	1.0
345.09973	1.1
352.08243	2.4
360.12323	0.9
364.08127	0.9
590.23212	2.9
608.24127	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32669	0.3
55.89808	0.3
65.52391	0.3
69.45497	0.3
70.68656	0.3
71.90289	0.3
76.93326	0.3
78.54655	0.3
102.61978	0.3
117.75871	0.3
131.61752	0.4
150.94794	0.3
186.15074	0.3
199.53787	0.3
216.64011	0.4
226.22362	0.4
247.31412	0.4
278.08099	0.4
290.08087	0.4
292.09674	10.8
300.09583	0.5
304.09610	1.3
306.07620	3.4
307.08380	0.5
318.07593	0.6
319.08218	1.4
320.09167	55.6
321.09933	28.2
322.10339	0.5
334.10687	3.1
336.12286	100.0
441.15286	0.7
608.20801	0.5
608.27942	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
84.23853	0.2
86.29626	0.3
89.59023	0.3
128.43143	0.3
254.01382	0.3
278.08078	0.4
290.08075	0.7
291.08755	0.4
292.09647	11.6
304.06091	1.3
304.09741	2.3
306.07635	4.4
307.08420	0.6
318.07672	2.4
319.08295	6.0
320.09183	14.9
321.09952	28.3
334.10703	9.1
335.11060	1.3
336.12296	100.0
608.20056	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
57.03412	0.4
69.03426	4.4
70.06584	1.1
81.03423	3.4
83.04971	3.5
85.02914	10.4
86.09686	0.6
87.04465	0.6
97.02867	4.2
99.04465	4.1
107.04955	100.0
109.02877	4.8
119.04964	2.1
121.05640	0.6
121.06506	14.7
122.06031	3.4
127.03922	11.3
144.08083	3.5
145.04951	2.6
145.08472	1.0
147.04414	29.3
147.05579	1.0
148.07611	0.7
149.05977	7.9
151.03922	3.5
164.07156	0.5
165.18306	0.5
167.07053	2.3
187.05899	0.6
215.07066	0.9
233.24373	0.5
246.11194	0.9
257.07956	0.5
273.26007	0.5
275.09225	3.0
293.10333	3.8
311.11246	27.3
388.13504	0.5
393.10690	0.6
393.15140	4.1
411.16571	4.5
429.17441	3.9
572.21124	3.2
590.22443	3.8
605.07611	0.5
608.23431	10.8
630.08075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41402	3.5
63.99340	3.6
66.44357	3.2
67.05510	8.0
67.32788	3.3
81.07058	7.9
81.73107	3.3
86.04371	4.1
145.09015	4.2
153.80098	4.0
162.86589	3.8
177.68080	4.1
246.85263	4.0
293.17639	4.9
343.59048	4.3
447.21927	6.0
475.21158	23.4
476.21851	6.4
477.22607	7.3
535.23132	4.9
549.24884	19.6
593.23932	5.7
608.26263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98975	0.8
63.33898	0.7
100.43726	0.9
142.35115	0.8
174.30634	0.8
201.67886	0.9
307.08444	1.1
320.09314	2.0
336.12350	1.1
364.90521	0.9
370.10651	1.1
382.10794	1.4
397.13171	4.1
400.12070	1.5
410.13806	6.5
434.16028	1.7
437.07858	1.0
438.13126	7.7
450.17249	1.4
480.18207	1.1
510.19406	1.4
511.20035	3.7
524.17285	7.2
538.18567	23.5
539.19147	8.7
608.26489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26209	0.2
51.07734	0.3
52.49718	0.2
71.95797	0.2
74.71329	0.3
79.04056	0.3
85.32814	0.2
107.75359	0.3
127.18175	0.3
149.25572	0.3
206.78416	0.3
290.08057	0.4
292.09741	0.6
294.11270	9.4
306.11206	2.5
308.09241	4.9
308.12518	0.5
318.07544	0.6
319.08316	2.7
320.09158	4.2
321.09766	3.1
322.10724	12.7
323.11523	32.4
334.10681	3.5
335.11115	1.0
336.12320	9.4
337.12851	1.4
338.13861	100.0
352.15311	0.4
414.89221	0.3
424.97690	0.3
608.17188	0.5
608.27802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.3
55.05502	4.2
57.07088	3.0
60.13163	2.1
65.65257	2.5
65.75552	2.5
67.05499	15.1
69.03437	5.7
69.07063	6.3
73.02915	18.0
79.05506	10.8
81.03415	11.8
81.07059	20.7
81.32292	2.6
83.05025	3.0
83.08626	6.1
85.02898	3.2
86.02411	2.4
86.06013	3.2
91.05484	5.2
93.07030	12.4
95.08604	14.2
97.02910	4.3
99.04465	61.1
104.82731	2.6
105.07018	3.1
107.08596	5.3
109.02895	3.7
109.10149	11.3
119.08588	4.5
121.10126	3.4
127.03905	5.0
128.07068	5.7
133.10175	3.7
149.80898	2.8
161.32820	3.0
163.11211	2.7
194.08228	3.7
243.08617	10.9
353.24551	3.1
371.25568	4.0
398.65009	2.9
448.21970	12.9
469.29355	4.9
475.20792	15.2
476.21112	5.2
487.30316	5.4
505.31134	4.0
520.24103	13.3
548.23676	28.5
569.71246	2.8
608.25922	100.0
608.40979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4005
Annotation	Roseocardin
Peak:m/z	Relative Intensity
51.23715	1.1
51.51732	1.1
57.07095	2.0
60.04529	22.4
67.05515	3.3
69.07076	5.6
69.57834	1.2
79.05492	13.7
80.67363	1.1
81.07065	2.3
83.08617	7.3
85.02910	6.4
93.07042	17.1
95.04994	7.0
95.08597	16.0
96.08126	2.2
97.06551	8.1
97.10181	3.1
110.09696	6.6
111.08094	6.0
120.08122	2.9
121.06483	19.6
126.09107	5.5
129.23758	1.4
135.11708	1.9
138.09157	29.0
139.07541	12.7
141.92160	1.3
144.10165	1.5
156.10194	49.1
174.11244	13.6
184.09845	1.6
272.25992	6.3
320.09210	3.3
334.10864	9.1
374.30951	1.9
392.31488	5.7
397.13104	3.0
410.13901	3.3
410.32693	14.7
428.33676	88.4
434.16049	2.8
438.13437	5.9
446.34760	100.0
473.98734	1.7
511.19604	2.0
524.17084	8.2
538.18988	16.2
539.19635	8.8
566.32349	1.6
608.26428	79.4
608.36359	3.2
617.22687	1.5
638.08130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.9
57.07082	15.3
57.19745	7.7
63.38183	6.7
67.05511	37.9
69.07073	44.3
71.08625	15.7
71.86240	7.3
79.05492	17.8
80.82550	7.2
81.07060	44.4
83.08631	34.5
91.05431	7.0
93.07041	38.3
95.08585	31.8
97.06502	10.1
97.10167	18.6
99.08099	7.3
105.07040	32.5
107.08593	15.9
109.10178	18.6
111.11700	9.0
119.08565	17.5
121.10164	33.6
123.08082	9.5
131.08586	11.0
133.10146	15.4
135.11671	17.3
149.13197	12.5
165.09033	10.2
181.08604	10.6
190.33636	8.3
218.63271	8.9
221.08218	7.8
275.20087	54.3
277.21619	11.5
349.12146	8.1
401.34012	9.6
517.38531	12.1
555.44525	9.5
577.40662	66.5
601.52771	10.2
608.25916	37.2
608.45667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90720	9.5
54.09699	8.0
55.05517	19.6
67.05507	64.2
68.75941	8.3
69.07060	38.3
71.08641	38.5
79.05487	41.8
79.12733	9.0
81.07057	75.7
83.08628	37.9
91.05520	34.0
93.07052	57.7
95.08601	55.1
97.10159	17.7
99.08139	11.4
105.07039	18.9
107.08578	38.1
109.10183	33.2
109.10847	9.7
119.08598	36.3
121.10136	34.7
125.09621	14.7
133.10126	16.2
135.11729	18.0
137.09579	11.5
145.10127	12.1
147.11691	13.3
149.13258	12.5
151.11163	13.6
161.13223	16.5
162.50398	8.4
173.13196	14.2
189.11201	20.6
275.20126	38.3
277.21548	100.0
295.22659	68.1
320.09122	10.6
364.75342	10.9
475.20987	12.4
560.96924	11.5
573.44434	10.7
608.25610	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94669	2.1
55.05520	12.7
57.24311	2.3
61.30479	2.3
65.05218	2.5
67.05510	13.6
69.07076	3.3
71.08643	3.1
77.28041	2.7
79.05492	3.9
81.07069	13.5
83.08616	11.5
83.84241	3.3
85.10172	2.9
91.05541	3.5
92.21378	11.2
93.07065	12.2
95.04953	22.7
95.08610	5.0
97.10184	29.7
100.61192	2.6
105.98370	3.1
107.08596	14.3
107.32943	2.8
109.06554	4.0
109.10185	6.7
111.04417	3.8
111.08080	4.1
119.08557	3.0
121.10146	4.8
123.08044	3.0
125.09638	23.2
125.42751	3.6
139.11269	3.0
145.10135	5.1
147.11670	3.8
149.09590	11.4
149.13309	3.6
153.09122	20.2
163.11153	22.6
165.12761	4.1
169.08759	3.0
189.11292	4.1
223.13264	14.0
275.20062	12.0
293.21130	100.0
293.24045	3.4
311.22119	19.1
374.02768	3.0
448.25800	3.3
521.35284	3.0
537.43433	3.8
555.43817	6.3
573.45239	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
56.05035	6.0
62.65451	0.5
67.05493	3.6
69.07059	5.2
71.92776	0.5
79.05518	0.8
81.07053	3.8
83.08624	4.1
91.05488	0.8
92.20984	0.7
93.07050	0.9
95.08604	6.2
97.10155	3.9
102.12547	0.6
107.08598	1.1
109.10148	8.2
111.08067	1.3
111.11703	1.5
119.08630	2.3
121.10108	1.0
122.09610	0.6
123.07978	0.6
125.09667	0.9
126.09146	1.3
136.11203	1.2
137.09615	4.0
139.07547	0.8
139.12238	0.6
140.10704	34.8
146.66510	0.6
153.13844	0.7
154.12262	100.0
156.10214	1.1
157.13354	22.9
168.13884	1.1
171.14914	43.6
203.64716	0.7
291.20721	1.2
292.19180	1.4
309.21811	5.1
327.22760	35.7
421.37860	10.6
435.39484	26.4
590.48975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1817
Annotation	Diosmin 
Peak:m/z	Relative Intensity
54.36512	0.2
55.03698	0.2
71.04996	2.3
83.77129	0.2
85.02914	3.6
105.06973	0.3
129.05434	0.3
242.96251	0.3
286.04697	7.2
300.37802	0.3
301.07062	100.0
463.12344	24.6
500.07074	0.3
609.18036	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.57169	0.2
71.04973	1.3
73.20825	0.2
83.16905	0.3
85.02914	1.4
99.70860	0.2
211.03426	0.3
285.07278	0.3
286.04645	1.0
301.07050	100.0
463.12323	18.3
468.53229	0.3
515.04382	0.3
570.05859	0.3
587.84015	0.3
609.17975	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
75.01244	0.3
85.02905	2.2
85.14108	0.3
97.02935	0.3
111.12569	0.3
113.55991	0.3
125.50070	0.3
166.04659	0.3
208.40021	0.3
233.58546	0.3
234.71103	0.3
270.05151	0.7
271.51138	0.3
285.07559	100.0
301.07056	40.2
305.45239	0.4
336.12228	1.2
337.12857	0.4
347.77408	0.4
380.11221	0.3
447.06613	0.7
447.12836	18.8
463.12183	4.5
609.17706	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71356	0.8
53.83823	0.8
55.05504	1.6
55.45747	0.8
57.03430	1.4
57.07087	1.1
67.05508	10.9
69.07043	2.1
75.40217	1.1
75.91499	1.1
79.05488	5.8
79.95476	1.0
81.07059	12.5
83.08593	2.1
86.06068	2.0
87.80180	1.1
91.05449	4.6
93.07024	8.3
95.08585	11.0
105.07022	6.9
107.08574	4.9
109.10133	2.3
111.08025	1.3
119.08555	6.3
121.10144	4.7
131.08517	4.9
133.10112	2.1
135.11664	1.8
141.06944	1.2
143.08551	5.6
145.10103	9.0
155.08508	2.1
157.10074	4.1
159.11655	6.2
161.09666	1.1
161.13248	1.9
163.35773	1.3
169.10117	2.3
171.11647	5.6
173.13303	2.4
181.10121	1.0
183.11650	2.6
185.13219	4.2
193.41431	1.1
195.11702	2.3
197.13226	5.8
199.14795	1.6
209.13109	1.8
211.14862	3.8
213.16351	1.4
225.16521	1.3
239.17964	1.5
336.12210	1.5
338.57590	1.1
357.91907	1.2
366.00574	1.2
393.21085	1.6
419.18610	4.1
420.19318	5.1
421.20224	8.7
433.16141	1.8
446.17023	1.3
447.17883	9.0
448.18854	38.5
449.19171	9.3
453.19510	1.2
461.19586	4.0
462.20215	5.2
463.21555	2.5
464.22079	1.5
475.20999	4.5
476.21811	4.8
477.23468	16.3
493.22641	8.5
520.20795	8.3
521.21826	22.8
549.24268	28.9
580.22784	7.8
581.23846	2.3
591.43945	1.9
609.24457	100.0
609.44910	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59665	0.4
63.65896	0.5
67.05489	0.9
79.53805	0.6
81.07038	0.9
91.05460	0.7
107.08553	0.7
109.10113	0.8
119.08571	0.6
121.06450	0.5
133.10121	0.7
135.11633	0.6
145.10130	0.9
147.11615	1.1
161.80508	0.6
204.06436	0.6
235.35612	0.5
252.60837	0.5
268.85031	0.5
296.60867	0.6
393.20477	1.3
407.18536	0.8
419.18704	0.9
420.19379	5.6
421.20065	6.6
435.17929	1.2
445.19879	0.7
447.17844	3.6
448.18851	11.8
449.19351	10.2
450.24628	0.7
461.19272	2.9
462.20175	0.9
463.20975	3.5
464.22086	0.8
465.23108	1.5
475.21945	4.0
476.17450	3.6
476.21820	5.0
477.18085	3.6
477.22726	5.0
479.20456	0.8
489.18762	2.9
492.21466	0.8
493.22794	11.6
503.19971	1.0
505.21750	2.3
507.24075	0.7
519.23969	0.6
520.20990	1.0
521.21948	29.6
535.23096	0.7
549.21631	21.2
553.24005	2.5
580.22571	2.1
581.23547	4.3
609.23645	100.0
609.43170	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74943	0.5
61.75239	0.5
71.89985	0.5
82.03203	0.5
96.96492	0.5
99.04456	0.8
106.35810	0.5
185.21016	0.5
292.09644	7.5
294.11218	2.1
295.11624	1.1
304.09183	0.5
306.07581	2.6
319.08279	0.9
320.09134	8.7
321.09952	29.7
322.10574	3.1
323.11337	5.2
324.11880	6.2
334.10736	1.0
336.12283	100.0
337.12720	2.9
338.09888	0.9
338.13815	14.8
339.14191	16.1
352.15393	1.0
353.15665	2.9
389.02036	0.6
392.14789	0.5
609.24371	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14087	0.4
60.88586	0.4
63.16168	0.5
63.89657	0.4
71.12082	0.4
84.08179	0.5
84.85959	0.5
101.23209	0.5
105.07135	0.5
194.89650	0.5
263.70569	0.5
292.09592	7.3
295.76245	0.5
304.09579	1.0
306.07544	2.6
307.08179	0.5
320.09131	10.2
321.06042	1.1
321.09909	28.9
322.10406	3.8
324.75714	0.6
336.12280	100.0
337.12646	9.3
338.12845	1.8
339.14059	0.6
444.79617	0.6
588.56171	0.6
609.24176	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42938	0.4
99.04481	0.6
121.06496	0.5
123.02332	0.5
140.47841	0.4
168.16193	0.5
292.09625	8.0
304.09793	0.8
306.07645	2.0
320.09119	8.2
321.06189	1.0
321.09961	28.6
322.10379	0.7
336.12299	100.0
337.12613	1.9
609.24316	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74943	0.5
61.75239	0.5
71.89985	0.5
82.03203	0.5
96.96492	0.5
99.04456	0.8
106.35810	0.5
185.21016	0.5
292.09644	7.5
294.11218	2.1
295.11624	1.1
304.09183	0.5
306.07581	2.6
319.08279	0.9
320.09134	8.7
321.09952	29.7
322.10574	3.1
323.11337	5.2
324.11880	6.2
334.10736	1.0
336.12283	100.0
337.12720	2.9
338.09888	0.9
338.13815	14.8
339.14191	16.1
352.15393	1.0
353.15665	2.9
389.02036	0.6
392.14789	0.5
609.24371	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03438	1.7
60.89723	0.8
67.05503	5.2
69.07066	2.6
71.04925	0.9
77.44421	1.1
79.05500	6.2
81.07069	8.2
83.08619	1.0
85.06583	1.3
91.05489	2.3
93.07050	4.7
95.08597	3.8
97.06525	1.6
105.07027	4.6
107.08601	2.3
109.10197	1.1
117.07026	1.6
119.08585	4.6
121.10235	1.7
131.08591	2.6
133.10136	2.7
135.11682	1.5
143.08537	1.3
145.10135	4.7
147.11687	1.8
149.86674	1.2
159.11671	2.7
171.11743	1.8
173.13246	1.9
183.11679	1.2
185.13237	1.4
197.13315	1.3
335.74591	1.3
405.20578	4.1
414.65756	1.5
419.18539	1.8
431.18390	1.4
432.19476	8.9
433.20102	9.0
463.21384	2.0
473.19357	1.2
475.21078	2.4
476.21976	8.0
477.23837	2.9
489.23181	1.3
505.22318	48.9
549.25055	21.7
565.24426	14.0
591.44128	2.2
609.27069	100.0
609.44965	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
58.55493	0.8
69.07075	1.5
78.32170	0.9
79.05490	1.2
79.34163	0.9
81.07068	3.7
91.35080	0.8
92.21644	0.8
93.07075	1.0
95.08611	3.6
107.08601	1.0
119.08607	1.4
121.10098	1.3
133.10196	1.4
145.10153	1.7
147.11635	1.2
154.12721	1.0
163.31447	1.0
197.13197	1.2
241.50735	0.8
298.86987	1.0
332.12067	1.1
336.12411	1.0
391.08066	1.1
419.18661	1.0
431.18365	1.8
432.19409	6.8
433.20169	10.1
445.19989	1.2
459.21576	1.3
460.22931	0.9
463.21411	3.8
464.21964	1.0
476.22061	5.4
477.22934	5.2
505.22336	40.7
517.40302	1.1
519.23615	1.8
521.22021	3.5
549.25122	20.2
565.24567	12.8
609.27075	100.0
609.43713	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.89909	0.8
125.20063	1.1
131.45413	0.9
280.78741	1.0
313.83948	1.0
334.80853	0.9
407.22540	2.2
421.23721	2.3
457.23996	2.0
459.21896	3.6
462.20026	1.2
472.22263	1.3
475.20679	6.6
476.21753	9.0
477.22272	6.4
485.23456	15.4
486.20514	5.0
489.22610	5.4
499.21362	4.3
503.24203	7.3
504.25137	1.3
515.24323	12.1
521.25061	4.8
531.23969	16.3
535.23419	2.3
541.22662	1.3
549.25110	2.3
550.25452	7.8
559.23163	8.0
591.25897	12.9
609.27057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.68449	0.6
52.99403	0.6
55.05509	2.3
64.75076	0.5
67.05507	6.0
69.07062	2.6
71.85091	0.5
79.05507	4.2
81.07054	4.4
83.08638	1.2
91.05453	3.4
93.07041	4.8
95.08585	4.9
97.10081	0.8
102.42290	0.6
105.07023	2.3
107.08600	4.0
109.10158	1.5
110.35401	0.6
117.07035	2.2
119.08595	3.9
119.09345	0.6
121.10152	2.4
131.08554	2.9
133.10141	3.3
134.05949	0.5
135.11694	2.4
139.72690	0.7
143.08585	1.3
145.10129	6.9
147.11705	1.2
159.11702	2.8
169.10059	0.6
171.11665	0.8
183.11642	0.9
185.13261	0.8
213.16457	0.6
215.16020	0.7
335.25839	1.0
445.24811	0.7
447.17816	0.9
449.23209	1.0
460.22391	2.9
461.23001	3.4
462.22510	5.0
463.22711	1.0
472.22498	1.4
473.23236	1.0
476.22025	10.3
477.24594	13.0
487.24966	3.5
489.22852	2.5
503.24838	0.9
505.25314	0.8
519.23785	3.4
521.22845	7.0
531.23895	20.4
531.30341	0.7
535.25250	7.9
549.24951	19.6
550.27545	21.8
563.83850	0.7
591.26062	2.7
609.27338	100.0
609.44543	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05526	1.1
58.10623	0.6
66.03001	0.7
67.05511	1.7
75.53178	0.8
79.05492	1.3
81.07069	4.3
93.07038	1.7
95.08612	1.4
105.07036	1.1
107.08649	1.9
111.07466	0.8
119.08601	1.4
121.10107	1.5
127.26862	0.8
129.21202	0.8
131.08572	1.2
133.10071	0.8
145.10159	4.1
147.11636	0.9
157.10065	1.3
159.11707	1.6
171.11710	1.4
173.13321	1.0
183.11790	1.5
232.93376	0.8
372.24316	0.9
421.24103	1.5
445.20337	1.6
446.20892	1.5
447.22464	2.9
448.22821	3.6
449.23395	6.5
458.21045	1.4
458.73859	1.0
463.21387	3.6
475.21307	1.2
476.22000	8.7
477.22916	6.4
489.23251	1.3
505.23770	1.0
519.23718	6.2
521.22668	4.8
531.23999	2.0
549.24957	31.4
579.26202	1.3
581.27832	1.7
591.26007	1.5
609.27100	100.0
609.44165	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
56.45009	0.6
59.51154	0.6
67.05511	6.6
69.07087	1.0
79.05507	3.6
80.43362	1.0
81.07048	6.2
82.91283	1.0
91.05508	3.2
92.20858	1.3
93.07056	4.8
95.08611	4.3
105.07050	4.0
107.08634	1.9
109.10146	1.4
116.61562	0.8
117.07037	1.9
119.08622	1.4
121.10136	1.6
126.11214	0.9
131.08578	3.1
133.10153	1.2
145.10167	5.6
147.11694	1.4
157.10173	1.3
159.11769	3.8
168.43935	0.8
183.11800	1.0
193.71786	0.8
205.55724	1.0
263.48416	0.8
286.47870	0.8
290.80838	1.0
343.59985	0.8
387.35547	1.0
447.22147	3.5
449.23401	3.7
459.22174	1.5
461.23654	1.8
462.24951	1.3
472.22653	1.5
475.21167	1.5
476.22168	7.6
477.22775	3.6
487.25534	1.1
489.23077	1.7
503.25018	1.1
519.24109	4.1
521.21594	3.5
531.23895	15.9
549.25031	39.6
549.33051	1.6
591.26196	3.3
591.43945	1.0
609.27161	100.0
609.44391	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.37104	0.3
57.25883	0.3
57.45440	0.3
75.66571	0.3
84.27860	0.3
97.80480	0.4
111.12917	0.4
137.50737	0.3
155.54745	0.3
196.95549	0.3
277.20374	0.4
305.03555	0.4
407.22366	0.7
420.23169	0.6
430.14978	0.3
432.23309	0.4
433.20233	4.6
445.20059	0.7
446.21014	1.8
447.21988	3.3
448.22781	1.7
458.20969	4.8
459.21631	3.0
460.22443	4.0
463.20807	3.0
465.23019	0.5
466.20480	0.4
466.72067	0.3
475.20547	1.0
476.21954	0.7
477.22882	1.7
478.23029	0.5
489.18906	0.5
490.23825	0.4
503.24255	1.6
505.22739	0.6
517.22638	1.5
518.22986	4.3
519.23920	13.6
521.22034	2.5
521.24829	2.1
531.24249	1.9
532.24976	1.6
549.24969	4.7
550.26007	0.6
563.26196	0.5
573.25165	0.4
576.23547	0.5
591.26013	16.3
609.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.84623	0.5
58.17004	0.7
59.17398	0.6
63.91652	0.5
67.05512	1.4
69.07080	1.0
79.05509	0.8
81.07063	0.8
91.05523	0.7
93.07072	0.9
95.08601	1.5
103.55489	0.6
107.08539	0.6
109.10136	0.8
110.45535	0.6
117.07070	0.9
133.10158	0.8
139.96609	0.8
419.22235	0.8
433.20413	1.2
445.20215	5.0
446.20914	6.8
447.21964	4.6
448.18726	0.8
449.23587	0.9
459.21716	1.4
463.21143	4.2
476.21994	11.3
477.23035	8.1
478.23529	1.1
489.22516	1.2
490.23691	0.9
491.20328	2.8
492.25342	0.8
505.22144	1.1
508.25256	0.9
519.23938	28.3
520.17273	1.0
521.21277	4.3
531.23651	2.7
541.60321	0.9
549.25092	20.3
551.26459	0.8
578.25092	0.9
579.26025	9.5
580.19537	3.8
591.25439	2.7
609.27240	100.0
617.76624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.18335	0.5
51.54284	0.5
55.59636	0.5
64.88107	0.7
87.21854	0.8
250.64276	0.7
353.72342	0.7
384.30710	0.7
407.22040	1.0
419.22668	1.1
433.20264	4.0
446.21103	1.6
447.21704	2.9
448.22366	2.7
458.20828	5.3
459.21735	2.7
460.22641	3.6
463.21133	1.6
476.21738	5.5
477.22891	3.1
490.23773	1.0
491.20779	1.0
503.24469	1.0
518.23065	3.9
519.23889	12.0
521.24585	3.7
531.23865	3.7
532.24908	1.1
549.24664	7.9
591.26117	14.3
609.26971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
65.75304	0.5
78.85918	0.7
105.46066	0.7
125.89545	0.6
133.54034	0.7
140.49083	0.7
161.93939	0.7
270.37418	0.7
277.21518	0.6
300.63715	0.6
314.33298	0.7
339.67163	0.7
407.22321	1.3
421.23834	1.3
422.24582	1.0
444.23138	1.2
447.18433	0.8
457.23795	2.8
459.21802	2.6
460.22772	0.9
461.19693	1.2
463.21548	1.1
475.21088	9.9
476.21823	9.9
477.22424	7.7
478.23648	0.8
485.23331	7.8
486.20526	3.2
487.21115	0.9
489.22852	4.8
494.26785	1.5
497.24084	0.9
499.21387	5.9
500.22137	1.4
503.24396	10.7
504.23584	1.4
507.24176	0.9
513.22449	1.1
515.24408	8.1
517.22260	3.5
521.25177	5.3
531.23865	11.0
535.23810	1.2
549.24609	2.8
550.25592	7.3
559.23352	7.4
563.26703	0.9
577.24786	0.9
591.26050	4.3
609.27100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24693	0.6
52.84994	0.5
53.68870	0.6
55.05513	0.6
62.88842	0.8
67.05496	3.9
79.05521	1.1
81.07077	3.5
83.08611	0.9
93.07063	1.7
95.08601	3.8
105.07018	1.0
107.08636	1.0
109.10154	1.8
121.10179	0.8
131.08612	0.9
135.11674	1.0
194.68282	0.8
216.00908	0.7
221.72060	0.9
277.21567	1.0
280.26135	0.9
288.21640	0.8
294.24347	1.0
296.25909	1.5
367.13922	1.8
480.67444	0.9
527.20453	0.8
609.36078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.30177	1.1
55.05533	8.0
57.03450	1.5
57.07095	1.1
58.32193	1.1
60.76766	1.1
63.52897	1.1
67.05518	15.3
69.07084	11.2
79.05513	7.6
81.07054	22.2
82.58095	1.3
83.08647	6.4
83.98439	1.2
85.07722	1.4
86.27735	1.1
91.05520	1.8
91.91753	1.3
92.20926	1.6
93.07055	13.1
95.00698	1.2
95.08601	18.2
97.10172	2.1
105.07075	5.6
107.08599	10.4
109.10155	9.0
111.08101	1.3
117.07062	1.8
117.58053	1.3
119.08588	7.1
121.10140	9.3
129.07043	2.9
131.08621	7.7
133.10168	7.3
135.11737	5.5
143.08612	2.7
145.10194	7.2
147.11754	7.2
149.13330	1.4
155.08641	4.8
157.10178	7.8
159.11713	7.2
161.13281	2.3
169.10210	6.4
171.11740	8.6
173.13260	5.3
175.14793	2.8
181.10202	4.8
183.11630	9.3
185.13307	5.9
187.14838	5.3
195.11763	3.1
197.13234	5.6
199.14877	2.8
207.11734	1.7
209.13295	3.1
209.86902	1.3
211.14899	5.8
213.16536	1.3
221.13197	1.5
221.86154	1.5
223.14857	2.8
237.16408	2.7
239.17946	1.4
251.18079	1.5
274.23453	1.5
277.21844	1.8
291.34518	1.6
296.25815	2.7
337.52567	1.4
447.32642	2.1
461.88519	1.5
517.40735	2.1
537.68762	1.5
539.37396	1.9
591.44147	6.5
609.45123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00854	0.9
55.05511	1.4
57.07079	5.1
63.70157	1.1
63.70509	0.9
66.97181	1.1
67.05526	1.2
69.07060	4.2
71.08642	1.7
81.07069	2.2
83.08635	2.4
85.91662	1.3
93.07050	1.9
95.08598	2.7
97.10184	1.6
107.08581	1.7
109.10144	1.4
111.04441	20.0
125.05978	2.1
135.08099	2.2
135.11708	6.1
137.09618	4.3
145.10170	2.2
147.47655	1.1
162.18016	1.1
163.11188	5.1
163.29202	1.4
165.09109	100.0
173.79411	1.1
179.10767	1.5
181.12263	11.4
185.40289	1.3
200.14809	1.2
203.10750	8.1
205.12338	1.9
217.12285	5.5
218.23320	1.0
242.08565	1.1
356.44031	1.1
385.23557	2.7
427.35864	9.4
429.37354	6.2
609.48895	8.4
610.52130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79899	0.9
54.91904	1.0
55.53585	0.8
76.43074	1.0
79.05473	1.0
103.05501	2.7
131.04930	21.6
163.07553	1.8
217.05081	2.5
306.07797	1.3
319.08624	1.6
320.09164	5.2
334.10757	6.9
336.12234	5.7
356.97626	1.2
360.08551	14.4
366.11310	5.8
370.10730	7.2
378.11182	5.1
379.12219	1.7
380.12885	2.0
381.09879	14.1
393.13577	1.3
396.12311	91.5
414.09857	2.1
415.10468	1.4
430.12936	8.3
480.14108	2.1
501.15851	2.4
502.16483	16.7
512.17041	11.4
516.18146	24.0
518.16046	9.6
532.17487	1.9
533.18542	2.3
548.20581	35.5
592.19495	6.8
610.20709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79499	1.2
55.25789	1.4
70.72221	1.3
81.85741	1.2
88.80788	1.3
92.46130	1.3
103.05470	3.1
106.62748	1.5
108.02247	1.5
126.03715	1.5
131.04927	17.8
151.12514	1.3
154.27303	1.4
156.38515	1.6
206.38901	1.4
273.10983	1.6
306.07761	1.7
314.77826	1.8
319.08368	6.0
320.09094	9.2
334.10727	11.9
336.12228	7.3
350.83496	1.5
360.08743	13.9
366.11401	3.5
370.10870	7.1
378.11423	5.5
380.12323	2.4
381.10153	13.8
396.12292	77.3
430.12811	8.8
480.14359	1.8
500.14758	1.8
501.15738	3.3
502.16473	14.9
512.16791	14.0
516.18134	19.0
518.15942	10.5
528.64233	1.5
532.17786	3.1
533.17981	1.7
548.20679	22.5
549.74976	1.5
560.27435	1.8
592.19446	6.1
610.20691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79499	1.2
55.25789	1.4
70.72221	1.3
81.85741	1.2
88.80788	1.3
92.46130	1.3
103.05470	3.1
106.62748	1.5
108.02247	1.5
126.03715	1.5
131.04927	17.8
151.12514	1.3
154.27303	1.4
156.38515	1.6
206.38901	1.4
273.10983	1.6
306.07761	1.7
314.77826	1.8
319.08368	6.0
320.09094	9.2
334.10727	11.9
336.12228	7.3
350.83496	1.5
360.08743	13.9
366.11401	3.5
370.10870	7.1
378.11423	5.5
380.12323	2.4
381.10153	13.8
396.12292	77.3
430.12811	8.8
480.14359	1.8
500.14758	1.8
501.15738	3.3
502.16473	14.9
512.16791	14.0
516.18134	19.0
518.15942	10.5
528.64233	1.5
532.17786	3.1
533.17981	1.7
548.20679	22.5
549.74976	1.5
560.27435	1.8
592.19446	6.1
610.20691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	1.2
68.30940	0.5
69.03442	1.1
81.03439	3.8
85.02910	1.2
86.09738	0.5
89.03941	0.9
99.04495	0.9
100.24626	0.5
107.04963	26.9
107.05674	1.0
109.02898	2.4
116.06986	0.6
117.03367	4.7
121.06499	2.1
123.04462	4.9
143.04945	2.8
145.02852	45.4
145.06500	4.0
149.06039	2.4
161.05966	11.0
164.07106	2.4
177.05469	100.0
220.86803	0.7
237.09151	1.0
248.11264	0.9
255.10153	14.8
272.12790	11.6
283.16583	0.6
318.07526	0.8
319.08673	0.8
320.09036	4.0
321.09869	3.8
322.10336	1.0
334.10910	2.7
335.11560	1.0
336.12408	4.2
337.12723	2.3
338.13351	1.0
339.10974	1.0
434.18298	0.7
517.29132	0.7
578.33459	0.6
610.22858	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12751	1.4
60.18031	1.1
71.39104	1.5
71.78046	1.5
92.20870	1.5
95.04997	1.8
105.07011	2.7
107.04942	13.4
126.24413	1.6
131.04912	9.4
133.06442	3.5
159.08051	2.3
161.05946	14.2
167.07034	56.6
173.05872	1.8
176.04623	2.0
184.05112	1.6
187.07666	1.6
191.07005	41.3
199.07513	23.3
199.56473	1.7
231.08034	2.3
233.09608	19.8
243.08063	2.6
243.55608	1.5
246.06813	2.6
257.05966	6.5
259.07523	1.8
260.08298	3.6
261.09091	35.4
262.09824	2.4
265.61136	1.9
271.07733	1.6
274.06171	2.2
278.09372	13.3
289.08582	50.3
290.09369	17.9
291.10278	2.2
293.11691	15.6
303.10242	2.2
306.08929	17.4
307.09628	3.1
321.11200	68.1
322.11758	6.8
338.11258	2.3
353.13831	100.0
355.15561	1.8
391.77902	1.6
413.15820	12.4
462.07834	1.8
493.11224	1.7
630.30481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.5
61.02925	0.8
69.03437	2.2
73.02917	0.4
74.69421	0.4
75.76610	0.4
76.26730	0.5
81.03436	0.5
85.02896	5.3
97.02888	2.0
107.04956	23.6
109.32098	0.5
115.05500	0.4
119.04998	0.6
121.06527	2.6
123.04429	4.4
127.03915	2.0
143.04909	5.3
145.04968	0.4
145.06482	3.3
149.08466	0.5
161.05965	6.6
166.08653	1.7
177.05617	0.5
178.08635	20.8
180.27666	0.5
192.10330	0.8
237.09158	0.7
245.12834	0.5
250.15347	0.5
255.10156	22.2
286.14377	85.8
328.15375	0.8
374.82712	0.5
407.84534	0.6
448.19681	36.0
610.24988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51691	0.8
79.05472	0.9
82.14202	0.9
83.06704	1.0
85.02870	0.9
97.02904	1.7
103.05451	1.4
104.19605	1.0
105.07011	4.9
107.04955	9.9
115.05433	1.0
118.07551	0.9
125.05991	1.0
131.04922	10.3
133.06438	4.1
137.05855	1.1
147.04399	1.3
148.05185	1.3
159.07944	1.0
161.05948	11.4
162.06705	1.3
167.07027	49.3
171.08037	1.0
173.06053	1.5
175.07600	1.8
176.04675	1.8
191.07011	39.8
191.08723	1.3
192.07881	1.1
199.07535	25.7
205.10063	2.2
207.06586	1.4
215.08563	1.7
218.07214	2.0
229.06541	1.6
232.08928	1.4
233.09598	18.0
242.20644	0.9
243.08070	4.7
246.06862	1.4
257.05923	4.5
260.08286	5.8
261.09079	28.3
265.12283	1.3
271.07526	3.7
274.06271	6.0
275.10580	1.3
277.08646	1.3
278.09320	9.9
279.10349	1.1
289.08569	47.4
289.11798	2.0
290.09387	13.2
291.10101	2.2
293.11810	14.0
306.08862	20.3
307.09671	7.5
308.09494	1.8
319.08356	4.0
320.09030	11.3
321.11261	53.6
322.12036	6.9
334.10873	7.0
335.10849	1.6
336.12213	9.2
337.12592	1.1
338.13782	5.9
339.12320	2.2
353.13815	100.0
371.14874	20.5
413.15881	11.0
610.17773	1.6
610.26520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.5
61.02925	0.8
69.03437	2.2
73.02917	0.4
74.69421	0.4
75.76610	0.4
76.26730	0.5
81.03436	0.5
85.02896	5.3
97.02888	2.0
107.04956	23.6
109.32098	0.5
115.05500	0.4
119.04998	0.6
121.06527	2.6
123.04429	4.4
127.03915	2.0
143.04909	5.3
145.04968	0.4
145.06482	3.3
149.08466	0.5
161.05965	6.6
166.08653	1.7
177.05617	0.5
178.08635	20.8
180.27666	0.5
192.10330	0.8
237.09158	0.7
245.12834	0.5
250.15347	0.5
255.10156	22.2
286.14377	85.8
328.15375	0.8
374.82712	0.5
407.84534	0.6
448.19681	36.0
610.24988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
76.68344	0.4
80.16051	0.4
90.10281	0.4
93.03394	0.6
97.02888	11.8
99.04479	0.4
112.08488	0.3
118.35237	0.4
121.06503	0.8
128.42567	0.4
145.02853	1.7
149.02332	2.0
167.03340	6.2
177.05487	10.9
189.09048	0.8
199.07596	0.8
207.06392	0.6
211.88445	0.4
217.08621	0.9
221.93639	0.4
226.68042	0.4
227.07034	0.7
245.08148	0.7
290.85300	0.5
291.08600	5.4
292.09665	11.1
304.09592	0.8
306.07605	3.0
309.09613	0.9
319.08200	0.7
320.09134	13.9
321.09937	33.0
334.10730	1.4
336.12283	100.0
401.80997	0.4
448.19409	0.5
449.28842	0.4
542.86194	0.5
543.27936	0.4
610.26001	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.255
Annotation	Unknow
Peak:m/z	Relative Intensity
83.07098	0.1
92.20967	0.2
98.08569	0.1
105.04655	0.2
121.06428	0.4
121.10028	0.2
176.06998	0.2
226.57031	0.2
291.08835	0.3
292.09674	9.9
292.12976	0.4
304.09592	1.8
306.07623	3.6
319.08264	0.2
320.09152	10.8
321.09946	28.8
323.11444	0.2
334.10681	1.0
335.11169	0.6
336.12289	100.0
337.12787	0.3
338.13733	1.6
362.13766	0.5
448.30734	0.2
592.25183	0.2
610.25494	9.6
610.34668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32603	0.3
50.93872	0.2
65.03924	0.5
65.43308	0.3
65.73946	0.3
68.05967	0.3
81.07043	0.3
93.03387	1.3
97.02894	11.9
112.34218	0.3
121.06513	1.4
145.02847	3.2
149.02353	1.7
167.03397	6.7
175.87827	0.3
177.05478	11.9
189.09106	0.7
199.07518	0.7
207.06625	0.4
217.08601	1.7
217.68967	0.3
227.07053	0.8
245.08107	1.1
257.69339	0.3
278.07761	0.4
291.08615	5.1
292.09680	10.0
304.09653	1.5
306.07629	3.4
309.09708	1.8
320.09158	11.5
321.09952	30.2
322.10535	0.7
334.10602	1.2
336.12289	100.0
337.12680	0.4
338.13846	0.6
340.85574	0.4
343.17831	0.4
606.31177	0.4
610.25977	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87182	0.2
55.65650	0.2
57.37851	0.2
60.53110	0.2
74.63006	0.2
86.70291	0.3
121.06471	0.3
132.24429	0.3
209.67477	0.3
261.79428	0.3
269.21808	0.3
278.08197	0.4
292.09644	9.5
294.11243	0.3
304.09717	1.4
306.07666	3.0
319.08282	0.4
320.09177	12.5
321.09955	29.0
322.10660	0.4
334.10446	0.5
336.12289	100.0
337.12869	0.3
338.13934	1.7
414.76343	0.3
560.00854	0.3
610.25977	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84227	0.3
58.06609	0.6
76.49723	0.4
82.65289	0.5
91.54141	0.4
97.02885	0.7
107.07387	0.5
121.06494	1.1
138.58759	0.4
145.02837	1.0
177.05460	6.7
285.07712	0.6
287.92426	0.5
292.09625	10.3
294.11044	1.0
304.09653	2.5
306.07739	3.1
319.08386	1.8
320.09155	11.7
321.09946	30.8
322.10562	2.6
323.11481	1.7
334.10782	2.8
335.11096	1.9
336.12292	100.0
337.12784	2.5
338.13702	6.6
368.10959	0.5
610.25598	11.9
610.45959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47256	0.3
56.53313	0.3
67.51801	0.3
68.92996	0.3
70.06577	0.5
76.45753	0.3
81.42001	0.3
96.57963	0.3
106.42759	0.3
114.09159	1.2
114.33903	0.3
115.29539	0.3
130.92549	0.3
131.55858	0.3
177.05444	1.9
187.07619	0.3
196.98849	0.3
218.08911	0.5
236.04930	0.3
275.09586	0.4
285.07477	0.5
286.07941	0.5
292.09656	10.6
304.09708	2.2
306.07645	3.6
309.09824	0.4
318.07678	0.4
319.08292	0.3
320.09158	12.1
321.09946	29.2
334.10791	1.3
336.12277	100.0
338.13776	0.4
347.76855	0.3
384.22134	0.3
425.69461	0.4
455.08813	0.5
485.01794	0.3
551.02441	0.4
610.16888	0.4
610.26514	10.5
610.35809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82788	0.4
63.75728	0.3
81.07105	0.5
177.05486	0.7
188.18770	0.4
239.18317	0.4
246.34190	0.4
292.09695	9.4
294.10825	0.7
304.09381	1.3
306.07819	3.1
308.09119	0.6
319.08203	0.7
320.09146	15.5
321.06091	1.0
321.09924	31.8
322.10440	2.3
323.11499	4.9
334.10611	1.8
336.12286	100.0
337.12558	1.0
338.13858	18.9
460.07944	0.5
491.49622	0.5
610.25934	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3013
Annotation	Ergocristine
Peak:m/z	Relative Intensity
65.92389	0.9
89.23345	1.0
120.03946	0.9
201.72842	0.9
283.34808	1.0
300.71942	1.1
306.07770	2.1
318.07623	4.1
319.08173	1.1
320.09216	6.3
321.09879	3.8
322.10806	2.2
332.09338	1.1
334.10712	21.2
336.08691	1.8
336.12375	3.9
453.96542	1.1
504.23904	2.4
518.25256	3.2
522.24921	1.6
536.26660	1.9
564.26050	4.4
566.27301	6.5
578.27515	4.1
580.25366	2.0
592.29272	2.2
594.26813	4.7
610.30103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05515	2.3
56.05030	6.2
67.05530	10.7
67.42858	1.5
69.03426	2.6
69.07058	2.9
70.02946	3.3
70.06586	2.1
79.05486	9.9
81.03410	14.5
81.07047	9.4
83.04990	3.1
91.05477	2.2
93.07038	10.5
95.04947	2.8
95.08614	11.0
97.02893	8.9
97.06584	1.8
98.06036	3.1
99.04468	7.8
102.05544	2.8
105.07069	3.1
106.02927	2.2
107.08597	6.2
108.04406	1.6
109.02901	3.3
109.06548	2.6
109.10166	2.0
111.04392	2.4
114.05501	2.4
116.16850	1.7
118.06620	1.6
119.08580	3.3
121.10155	3.8
124.03946	2.3
124.07595	7.3
125.04733	40.6
126.05526	1.8
127.03951	3.6
131.08575	2.7
134.06023	7.5
135.11742	2.2
136.07581	100.0
143.05688	2.2
144.06599	2.2
145.10091	1.7
152.07069	33.5
156.06532	6.8
159.11725	1.8
168.06548	2.9
170.08113	9.8
180.06546	50.0
188.09227	9.4
198.07613	16.1
216.08662	7.6
275.20438	2.1
319.08517	2.7
329.59641	1.7
334.10751	14.7
336.12146	3.2
383.96945	1.6
433.19577	1.8
501.71729	1.6
506.22638	10.7
550.25110	8.7
556.32684	3.3
564.33716	2.0
566.24585	2.0
574.33789	83.8
592.34772	58.9
610.27069	39.3
610.35718	7.1
610.44324	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47948	0.9
56.78074	1.1
60.62440	1.2
65.39581	1.1
68.20230	1.2
71.07262	1.2
76.40889	1.2
84.46171	1.2
88.10153	1.1
97.69066	1.4
111.28138	1.1
121.47509	1.3
136.94067	1.6
158.25819	1.3
170.58922	1.1
196.20393	1.2
235.24014	1.4
268.95236	3.3
268.98227	100.0
308.77267	1.2
381.07944	4.9
496.49530	1.4
557.32214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08551	0.9
65.86875	0.8
72.90077	0.9
111.92082	1.0
112.54690	1.0
126.43549	0.9
136.94046	1.8
137.28879	1.0
190.02411	1.1
197.48219	1.0
203.04550	0.9
268.95285	3.6
268.98215	100.0
347.00339	1.1
381.07913	6.8
524.59198	1.3
574.58350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
51.68779	0.4
57.03426	0.9
71.04994	10.2
85.02902	12.4
97.02903	0.8
100.33378	0.6
128.95335	0.5
129.05467	1.2
161.38824	0.6
177.78223	0.6
229.05179	0.6
278.83646	0.6
278.92499	0.5
303.04971	100.0
334.10678	0.7
340.51596	0.6
378.13626	0.6
378.46570	0.5
398.71771	0.6
465.09958	3.7
611.18414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2125
Annotation	chlorophyll c1
Peak:m/z	Relative Intensity
54.96302	1.5
55.01875	1.3
65.79902	1.2
79.05509	2.2
91.05466	2.0
96.34367	1.8
103.05470	9.5
105.07056	1.9
107.04978	13.2
115.05480	3.0
117.06976	8.0
119.05013	1.4
121.06512	2.4
123.04423	2.1
125.05994	2.8
131.04904	14.3
133.06523	2.3
133.90030	1.5
137.05980	7.8
145.06493	19.3
148.05194	9.2
151.02711	2.9
151.03911	64.2
151.05078	3.7
153.05463	3.8
155.06039	3.0
161.05907	2.5
163.07535	13.8
165.05473	11.2
167.07025	85.8
170.97485	1.4
171.06528	2.7
173.05989	37.3
175.07515	1.5
176.04645	2.0
177.05484	1.9
181.04944	93.2
191.07004	27.8
195.06601	3.7
201.05472	9.8
202.06172	2.1
203.07086	10.9
205.08559	12.2
207.06589	1.9
209.08038	2.2
217.08588	6.4
219.06506	13.5
220.07271	2.7
231.06499	3.2
233.08109	10.4
234.08905	6.1
235.09628	2.6
277.08371	1.9
293.08093	1.7
317.10214	2.8
320.09216	6.9
321.09857	2.7
323.09116	2.3
329.10367	2.6
334.10568	1.7
336.12253	6.7
337.12622	2.8
343.11966	2.3
349.34253	1.7
355.11591	5.9
357.13278	3.4
385.12775	13.2
397.12839	3.6
415.13962	20.5
416.14853	6.7
581.19958	3.2
611.21167	100.0
617.88654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.25
Annotation	(-)-Triptofordin C 2
Peak:m/z	Relative Intensity
51.41291	1.1
51.54314	1.1
60.04539	12.8
69.07064	1.9
74.43895	1.2
74.95824	1.3
77.53468	1.4
81.07045	3.5
83.08617	1.5
87.86379	1.3
93.07066	1.9
99.71140	1.5
102.73132	1.4
105.07011	1.5
109.36256	1.3
112.59763	1.4
120.19414	1.4
121.06628	1.3
129.00258	1.4
133.10124	2.4
137.97412	1.6
145.10159	2.0
147.07901	1.5
187.99213	1.4
218.10385	1.6
316.22495	9.0
316.28406	16.5
318.24115	3.4
319.02286	1.5
422.17136	3.0
449.15939	8.2
450.16608	28.0
451.17352	2.4
463.17706	1.6
464.18240	2.8
465.18893	2.5
467.20975	1.8
477.18903	2.5
478.19720	2.9
479.20691	13.3
481.18555	1.9
494.23361	4.9
522.18933	16.3
523.19818	2.4
551.22815	38.7
582.20905	2.1
611.24719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69889	0.4
54.41148	0.4
60.04527	3.6
60.83516	0.5
69.07054	0.7
87.39393	0.5
93.07011	0.8
95.08585	0.6
102.26293	0.5
107.08561	0.6
112.62173	0.6
113.96845	0.6
119.08637	0.6
184.35103	0.6
223.12381	0.7
285.51019	0.6
300.76047	0.5
316.28488	3.1
316.74298	0.5
333.19150	0.8
342.01505	0.6
395.06631	0.5
419.17908	0.6
425.31873	0.6
433.19348	0.8
435.21671	1.3
447.21225	3.8
448.21564	2.8
449.15939	1.2
449.22403	2.4
451.21286	2.8
461.22946	0.8
465.19534	2.7
476.66342	0.7
477.20935	1.1
478.19681	11.3
479.20511	8.0
491.21109	1.0
505.22348	0.9
507.23749	3.2
509.21878	0.6
519.23560	0.8
520.24048	2.9
521.24591	11.2
523.20532	4.7
551.22968	36.4
565.24701	0.9
581.26758	5.1
593.26392	1.2
611.25873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52783	2.1
67.46773	2.2
71.08650	2.5
78.76501	2.4
82.72952	2.5
116.34508	2.3
136.93166	4.2
154.94159	14.3
172.95256	31.1
190.96277	9.4
201.03516	2.5
208.11870	2.7
210.96785	14.3
228.97778	20.7
255.03909	3.8
298.98676	2.8
316.99146	8.7
318.07660	3.6
319.07944	5.6
320.09082	3.2
335.00522	14.9
449.19553	22.6
497.32449	2.7
611.25146	100.0
611.45636	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78662	0.6
61.54001	0.5
62.85304	0.5
67.05499	0.9
69.07047	0.7
73.58798	0.6
79.05464	0.9
81.07062	1.5
95.08604	2.5
107.08582	1.2
109.10149	0.9
121.10135	1.1
131.08521	0.8
135.11568	0.7
145.10162	1.4
147.11731	0.8
157.10236	0.9
166.08717	0.7
166.33032	0.7
173.13266	0.8
184.70157	0.7
196.42046	0.6
199.14844	0.7
313.19391	0.7
330.86966	0.7
331.92322	0.7
393.20746	0.9
407.22232	5.6
421.23877	19.9
422.24478	3.3
423.21457	1.2
434.24701	1.0
435.25708	2.5
443.17755	0.8
450.20319	1.4
451.16202	0.8
451.21384	11.0
459.21854	3.3
461.23611	1.2
462.20053	1.1
463.21179	1.6
465.22867	37.4
466.23718	5.7
474.20282	1.3
476.25900	1.2
477.18399	2.5
477.23685	1.1
478.20111	4.0
479.24765	14.3
487.21204	6.7
488.18393	1.3
489.22775	2.8
492.25092	0.8
493.25986	6.3
494.26776	9.5
499.20898	0.8
505.22339	6.7
507.27539	1.4
517.22400	1.4
520.24304	0.8
523.23492	9.3
533.21680	13.4
536.23962	0.7
537.24976	5.9
538.25763	19.8
551.25677	1.1
552.23853	0.8
561.21173	2.7
565.28400	4.7
567.29694	17.1
593.23956	7.1
611.28674	100.0
611.44531	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2496
Annotation	[3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol,  5-acetate 4,6-dibenzoate
Peak:m/z	Relative Intensity
52.88307	0.3
54.86343	0.3
71.25296	0.4
93.07086	0.5
94.77049	0.4
109.37317	0.4
140.89780	0.4
188.33438	0.4
204.60640	0.4
240.93268	0.5
266.31064	0.4
317.20496	2.0
321.09766	0.5
330.56610	0.5
335.20767	1.8
336.12289	2.1
337.12775	2.3
353.21838	0.8
379.37338	0.5
407.22458	0.8
433.20020	1.5
434.21262	0.8
435.21802	2.2
449.15948	1.8
451.21295	4.7
452.22067	1.0
463.17401	0.9
464.18561	1.7
465.18689	3.4
477.19067	1.0
478.19897	19.5
479.20578	12.5
479.26120	0.5
491.20837	2.7
492.21545	1.0
494.23157	2.1
495.24014	1.9
505.22333	2.0
507.24170	5.2
509.22174	0.7
510.22647	1.9
522.19196	0.6
523.19244	5.6
536.20514	0.7
537.21478	0.5
551.22894	66.8
583.25159	1.0
593.24237	0.7
611.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62484	1.8
52.41288	1.7
55.81919	2.0
59.17612	2.0
67.35256	2.0
71.12288	2.2
136.93071	2.9
154.94167	22.4
166.94196	2.5
172.95241	30.7
187.92270	2.6
190.96260	14.1
210.96779	17.9
228.97815	30.4
237.02783	2.8
316.99420	11.9
335.00510	10.0
335.25562	2.8
376.35956	2.7
393.17007	5.1
434.17352	2.6
449.19598	19.2
467.20844	5.1
488.93280	2.7
581.93542	3.0
602.84564	2.7
606.50714	2.4
611.16467	3.7
611.25085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2828
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
50.28075	3.4
51.31525	2.9
53.03947	3.2
55.05502	5.0
64.86607	3.2
67.05504	17.0
68.55688	3.4
68.56123	3.2
69.07074	4.8
79.05473	14.4
81.03420	7.2
81.07066	9.8
83.04971	3.7
91.05421	6.1
91.07133	4.1
92.21561	5.4
93.07040	8.6
95.04967	22.8
95.08613	5.3
98.98459	18.5
105.07012	5.2
105.41290	4.3
107.08555	4.8
109.10221	5.1
121.10148	4.0
133.10112	6.8
140.45435	4.8
151.11176	8.1
239.76495	3.8
243.31125	3.9
277.21680	16.6
319.08633	5.4
320.09079	7.3
334.10483	8.5
351.25323	100.0
357.81015	4.1
404.74783	4.8
611.20935	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05520	3.3
57.03440	1.8
58.66704	1.5
67.05517	15.3
69.07064	10.4
69.95296	1.5
71.04985	1.6
71.08627	8.8
79.05502	14.9
81.03417	12.2
81.07071	13.4
83.04971	3.3
83.08624	2.3
91.05467	6.5
93.07047	16.0
95.04961	13.0
95.08607	7.5
97.10184	2.2
98.98462	5.7
99.08096	3.8
105.07053	10.5
107.08562	13.5
109.06517	2.8
109.10151	7.5
119.08578	3.0
121.10122	2.2
125.09625	2.4
133.10120	8.3
135.11650	2.4
147.11702	3.8
151.11183	22.4
161.13237	7.8
175.14682	2.1
179.14264	3.4
197.62221	1.8
231.21028	1.9
277.21671	14.3
319.78107	1.8
320.09137	19.7
321.09601	2.6
334.10739	3.9
336.12103	1.9
341.38171	1.6
351.25293	100.0
410.31842	2.0
441.02502	2.0
605.02441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2825
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.03961	1.0
53.92329	0.7
55.05513	5.1
56.87278	0.7
57.03441	3.6
57.07079	1.1
67.05510	9.3
67.55643	0.8
69.07065	5.4
71.08634	35.6
79.05492	6.5
81.03428	1.6
81.07066	11.1
83.04980	1.4
83.08620	5.5
85.06522	1.0
89.54888	0.7
91.05449	8.2
92.20937	1.3
93.07042	16.1
95.04972	3.3
95.08600	7.8
97.06497	3.0
97.10164	1.8
98.98480	1.8
99.08100	23.1
105.07041	8.4
107.04967	4.0
107.08587	9.4
109.06558	1.0
109.10152	5.6
117.07027	1.3
119.08584	5.5
119.95876	0.7
121.10154	5.1
124.10865	0.9
128.08029	0.8
129.07007	1.1
131.08540	1.0
133.10129	4.4
135.11668	7.5
135.27660	0.9
137.02295	0.8
143.08618	1.3
147.11668	4.1
149.13341	3.3
151.11191	14.7
161.13226	10.9
163.11192	5.8
171.11691	2.0
175.14708	1.4
176.73848	0.8
179.14333	13.1
185.13261	1.0
189.12854	1.0
241.19580	1.5
277.21591	13.6
280.19818	0.8
295.22662	3.9
320.09161	4.0
321.09329	1.5
334.10754	1.6
351.25296	100.0
372.79117	0.8
611.18915	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16949	0.4
59.06150	0.4
60.04533	1.1
67.05516	0.7
71.49293	0.5
79.05511	0.8
81.03436	0.7
81.07073	1.7
83.05009	0.6
93.07069	0.8
95.08616	1.0
99.04479	2.9
99.21870	0.4
105.07049	1.7
107.08630	0.8
119.08620	0.9
121.10202	0.8
131.08591	0.7
133.10205	0.8
233.19231	0.5
316.28702	2.7
374.78433	0.5
433.20270	2.1
448.22995	0.7
449.19592	1.7
450.21017	0.7
451.25488	0.8
463.21414	0.9
464.22314	2.1
465.22900	3.8
477.23065	2.8
478.23788	10.2
479.24487	9.2
491.24478	1.9
494.26785	0.7
495.24179	0.8
507.28311	0.5
510.26480	1.5
520.24670	2.4
521.25482	0.7
523.23303	7.9
537.24988	0.8
551.26636	41.3
552.27319	0.5
558.99249	0.5
580.26965	1.0
582.25446	1.1
583.29156	1.0
590.60693	0.5
593.25171	2.1
611.28735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2858
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
52.67512	0.8
54.58860	0.8
61.70513	0.8
62.69533	1.0
67.05515	0.9
73.10915	0.8
76.34397	0.8
81.07052	4.4
83.04954	0.8
83.45222	0.9
85.05323	0.8
87.31426	0.9
93.07001	1.4
95.08615	1.8
109.10120	1.3
115.17344	0.8
131.08495	1.1
145.10150	1.5
167.00214	1.0
290.66394	1.0
319.08249	2.1
320.08868	1.2
334.10556	2.2
335.10992	1.8
393.20813	1.7
407.22226	3.9
408.96698	1.0
420.22937	2.0
421.19351	1.4
421.24374	2.4
422.24628	1.2
433.20093	1.5
434.20541	2.0
435.21576	8.4
448.22534	4.2
451.21100	8.9
451.51620	1.0
465.22980	6.4
466.23624	4.7
476.22131	7.9
477.26776	7.4
478.23715	6.9
479.24719	4.1
480.25366	1.4
489.22693	1.2
493.26013	1.6
494.27042	1.3
495.27710	9.2
503.24500	10.0
507.23770	12.9
509.21793	1.9
521.25433	4.9
523.23260	4.6
523.27625	3.1
539.26758	12.7
549.24847	3.6
551.26819	26.5
565.24194	1.5
567.26093	9.4
576.64832	1.1
583.29346	1.3
593.27246	1.3
611.27600	100.0
611.44409	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53479	0.9
60.04537	3.7
66.95049	1.0
67.05535	1.0
69.07089	1.5
76.43839	0.8
79.05526	2.3
81.07075	2.4
91.40553	0.9
93.07036	1.7
95.08627	4.5
105.07056	1.6
107.08593	1.4
109.10160	2.0
119.08591	1.3
121.06489	1.0
121.10191	1.2
131.08630	2.2
133.10176	1.8
135.11736	1.2
147.11786	1.4
163.11156	1.2
167.02539	1.1
183.11795	1.2
206.19894	1.1
257.19321	1.2
315.52759	1.2
316.23233	1.0
316.28549	1.9
336.12466	1.9
337.12451	1.5
450.84644	1.1
451.25244	1.7
465.23132	4.5
477.22900	1.8
478.23700	9.2
479.24463	10.2
510.26849	1.6
520.25610	1.2
523.23737	7.0
551.26697	46.1
580.26569	1.3
590.88910	1.1
611.28815	100.0
611.45801	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.0
57.03436	1.2
62.02974	0.7
67.05502	9.5
67.83115	0.6
69.07072	6.9
77.31049	0.8
79.05498	6.1
81.07068	10.5
81.46497	0.7
83.08636	3.7
91.05509	4.1
93.07030	8.2
95.08624	10.1
97.06537	1.2
97.10184	1.5
105.07053	4.5
107.08611	3.9
109.06528	1.0
109.10154	5.2
117.07050	3.8
119.08607	5.0
121.10165	3.8
129.06989	2.8
131.08543	7.1
133.10124	7.2
135.11717	3.4
141.07040	1.1
143.08621	4.7
145.10129	7.9
147.11707	1.6
149.13242	1.4
151.17982	0.7
155.08556	1.5
157.10190	3.8
159.11664	8.0
161.13269	1.0
167.08658	0.9
169.10120	2.8
171.11714	5.9
173.13333	4.1
175.14964	1.2
181.10143	0.9
183.11702	4.6
185.11775	1.1
185.13315	5.0
187.14883	3.6
197.13348	3.2
199.14880	3.7
201.16423	2.8
209.13335	1.3
211.14912	1.8
213.16414	3.2
223.14926	1.4
225.16489	1.6
227.18079	1.4
229.19545	1.2
239.18054	1.2
241.19553	1.6
253.20734	0.7
276.84274	1.0
300.27127	0.7
382.49243	0.9
407.22525	4.4
421.23822	21.5
422.24747	1.5
435.25500	0.9
451.21262	9.1
465.22882	29.8
466.23660	5.6
479.24283	12.9
493.25839	5.1
494.27036	8.6
507.27539	1.0
519.41907	3.2
523.23395	7.3
533.26251	1.4
537.24652	5.1
538.25757	18.9
551.26068	5.6
565.28021	5.5
567.29694	12.3
593.45685	8.5
611.28711	100.0
611.46527	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.4
57.06298	1.2
57.07078	1.6
59.22015	1.0
65.97691	1.2
67.05507	14.3
69.07056	7.0
70.26855	1.1
79.05479	7.7
81.07063	16.1
83.08610	2.6
88.92159	1.4
90.33666	1.3
91.05428	5.2
93.07048	10.6
95.08620	16.4
97.10153	1.8
98.39998	1.3
105.07018	3.2
107.08565	6.6
109.10145	2.7
119.08572	5.3
121.10101	6.2
123.11708	2.1
131.08525	2.6
133.10150	3.2
135.11656	3.0
137.05945	15.6
143.08562	1.7
145.10074	5.8
147.11678	2.4
159.11699	1.8
161.13187	1.6
171.11612	2.4
259.20538	1.7
280.26312	3.1
298.27173	1.8
317.20898	1.8
333.20218	3.0
333.23907	1.6
441.64392	1.4
611.42548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	1.8
59.44804	1.4
63.29161	1.6
67.05526	5.7
69.07066	2.4
79.05487	2.4
81.07048	3.7
81.80491	1.4
83.08601	2.3
93.07027	2.5
95.08612	10.9
99.28761	1.9
100.29413	1.9
109.10150	3.8
119.08594	2.7
121.10135	2.2
133.10118	2.4
138.09303	2.1
171.98805	1.8
310.44507	2.3
333.20551	3.9
479.22873	2.3
597.66687	2.4
611.28088	19.3
611.42712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52507	0.8
55.05515	3.6
57.07090	1.2
67.05498	6.1
69.07064	5.5
79.05502	2.0
81.07054	9.1
83.08644	1.6
93.07047	5.5
95.08609	11.3
97.06572	0.9
97.10141	1.0
101.09600	0.9
105.07043	1.1
107.08558	3.1
109.10159	7.5
117.07100	0.8
121.10162	3.3
123.11671	1.4
127.65893	0.9
133.10150	1.9
135.11658	3.8
137.53596	1.0
145.37602	0.9
153.09087	0.9
157.10039	0.8
232.21298	1.0
235.13139	1.2
280.26501	3.3
298.27203	1.2
333.20230	9.4
373.18735	1.0
383.74335	1.0
404.93649	1.0
420.23074	1.2
611.42694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17722	2.0
67.05506	5.5
69.07070	3.2
76.92837	2.4
79.05474	3.1
80.34953	2.9
81.07040	5.9
93.07040	3.9
95.08611	5.3
95.64163	2.4
96.26787	2.4
107.08607	4.5
109.10170	4.5
119.08573	2.7
131.08609	3.7
154.33099	2.5
227.61740	2.9
247.44420	2.6
332.55423	2.8
333.20374	5.3
334.10602	6.1
611.42639	100.0
637.39374	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05517	5.8
55.50333	0.7
57.03444	1.3
57.07077	2.0
61.58585	0.8
61.72037	0.7
67.05509	15.5
69.07065	8.7
71.08636	1.1
74.21983	0.8
77.29347	0.7
79.05497	7.9
80.83659	0.9
81.07056	19.7
81.07504	1.4
83.08612	6.2
91.05476	3.6
93.07036	10.5
95.08601	16.8
97.06546	0.9
97.10167	2.1
105.07020	7.1
107.08575	7.8
109.10162	7.6
111.08123	1.0
111.50799	0.8
117.07021	4.3
119.08583	8.5
119.34922	0.9
121.06550	1.2
121.10159	4.6
123.11740	1.6
129.06985	1.5
131.08569	7.9
133.10132	7.5
135.11684	3.4
143.08597	6.3
144.08223	0.9
145.10109	8.6
147.11739	3.6
149.09561	0.9
149.13278	1.6
151.14853	1.0
155.08575	4.6
157.10101	7.6
159.11664	9.2
161.13269	3.1
161.42657	0.9
169.10098	5.8
171.11664	5.8
173.13252	7.0
175.14886	1.4
183.11751	5.3
185.13271	4.5
187.14839	3.2
189.16493	1.2
195.11711	1.5
197.13252	5.8
199.14833	5.7
201.16403	1.9
209.13411	1.0
211.14848	4.9
213.16425	1.9
225.16428	2.9
225.63803	0.8
227.17970	1.9
237.16243	1.3
239.17978	2.0
241.19640	1.8
243.21008	1.3
251.18123	1.1
279.21133	1.2
283.24142	1.0
407.22403	1.7
421.23767	11.8
435.25751	1.4
451.21472	5.1
465.22833	23.6
466.23608	3.7
479.24496	7.1
493.26105	2.0
494.26688	5.2
507.27826	1.4
519.42035	5.1
523.23218	4.3
533.25476	1.4
537.25177	3.1
538.25696	12.3
551.26001	1.8
565.27881	3.5
567.29767	11.2
593.45685	11.6
611.28741	63.8
611.46643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33333	0.7
55.01875	1.0
55.05523	10.2
55.35783	1.0
57.03450	3.9
57.07076	2.4
57.16875	0.9
67.05515	24.9
69.07070	10.9
79.05505	17.9
81.07062	26.6
83.05006	1.3
83.08644	6.8
85.58315	1.0
89.67214	1.2
91.05478	14.7
91.05898	0.9
92.47148	1.0
93.07044	26.7
95.08611	24.4
97.06532	1.5
105.07028	17.1
107.08604	15.6
107.09145	1.0
109.10168	15.2
111.08120	1.3
111.95969	1.2
114.11398	0.9
117.06996	9.2
119.08591	20.0
121.10136	11.3
123.11726	2.5
129.07053	4.3
131.08556	12.1
133.10132	17.5
135.11676	12.2
143.08620	6.4
145.10126	14.4
147.11659	13.8
149.13258	7.7
155.08575	1.4
157.10184	5.1
159.11671	13.2
161.13232	10.6
163.11296	1.2
163.14868	2.1
169.10150	1.5
171.11668	10.3
173.13194	9.6
175.14923	4.6
177.12755	1.3
181.10249	1.6
183.11644	1.6
185.13309	6.8
187.14861	2.5
195.11751	1.5
197.13414	2.5
199.14949	5.8
201.16525	1.3
203.14442	1.6
209.13274	1.5
211.14908	1.9
213.16452	2.5
225.16516	1.5
241.19696	7.4
259.20590	13.5
261.22186	2.6
333.24423	6.7
335.25803	13.4
519.42206	2.3
593.45752	9.6
611.46857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05352	0.8
51.52343	0.7
51.54321	0.6
55.05522	9.3
57.03452	1.7
57.07074	3.6
59.95411	0.7
66.71549	1.0
66.98978	0.8
67.05508	16.6
69.07072	11.7
71.08646	1.6
79.05484	9.3
79.94884	0.9
81.07056	23.4
83.08633	10.2
85.06566	1.7
91.05415	6.5
93.07038	14.7
95.08600	18.0
97.06519	3.8
97.10163	5.1
105.07013	7.3
106.72171	0.8
107.08576	10.1
109.10163	9.4
117.07021	5.1
119.08602	8.5
121.10120	8.7
123.11710	3.9
125.09632	1.4
128.14400	1.0
129.07040	4.4
131.08551	8.5
133.10112	8.5
135.11726	5.7
137.13245	1.1
143.08585	5.9
145.10133	9.9
147.11708	4.7
149.13306	1.4
149.81761	0.8
155.08586	3.7
157.10088	7.1
159.11667	9.0
161.13289	4.2
169.10139	3.9
171.11690	8.5
172.83611	0.9
173.13304	5.6
175.14894	1.8
181.10133	1.7
183.11726	4.6
185.11884	0.9
185.13316	5.9
187.14900	3.9
187.32593	0.9
195.11720	2.1
197.13326	4.6
199.14865	5.4
201.16364	1.6
209.13254	3.5
211.14856	3.2
213.16429	1.8
217.19469	1.6
223.14952	2.0
225.16435	1.4
227.17937	1.0
229.19516	1.3
235.14804	1.3
237.16391	1.0
241.19585	1.2
243.21101	1.2
251.18042	1.3
253.19565	1.6
256.26410	1.3
280.26401	1.9
286.01074	1.1
356.07474	1.2
519.42047	4.5
537.43048	1.8
593.45685	8.6
611.46692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
54.01348	0.7
54.98355	0.6
55.05509	7.2
57.03438	1.8
57.07080	3.4
58.94279	0.6
59.86085	0.7
67.05511	15.8
69.07082	7.9
69.11800	0.7
71.08663	0.9
79.05494	7.7
79.40128	0.8
80.51423	0.7
81.07063	17.9
81.07497	1.2
82.89241	0.7
83.08631	6.1
85.06550	1.1
91.05479	6.6
93.07056	15.0
95.04990	1.6
95.08610	16.5
97.06549	1.1
97.10181	3.5
99.08162	0.7
105.07056	9.5
107.08611	9.4
109.06538	0.9
109.10184	9.3
117.07047	4.5
119.08594	9.0
121.10143	6.2
123.11732	3.8
129.07040	3.4
131.08591	12.5
133.10146	9.1
135.11612	5.7
137.13310	1.0
139.11125	0.9
143.08574	7.2
145.10135	11.4
147.11732	4.3
149.13277	1.2
151.14951	0.8
155.08522	1.6
157.10136	7.1
159.11699	12.1
161.13310	3.5
161.24588	0.7
163.14882	0.9
167.08505	1.1
169.10178	4.7
171.11685	9.4
173.13245	6.0
175.14854	1.7
181.10207	3.0
183.11676	7.7
185.13263	7.2
187.14880	4.1
189.16393	1.2
195.11667	1.0
196.89053	0.8
197.13185	5.1
199.13257	0.9
199.14760	5.1
201.16496	4.0
209.13284	1.6
211.14900	3.9
213.16420	3.3
215.18013	1.5
221.13255	1.1
223.14897	3.3
225.16431	3.2
227.18036	3.4
229.19487	1.4
235.14961	1.0
237.16432	0.8
239.17979	1.3
241.19577	1.8
243.21127	1.1
253.19704	1.3
255.21132	1.1
258.19586	0.7
421.23911	8.0
451.21411	3.5
465.22906	13.2
466.23318	1.6
479.24744	5.2
493.25894	1.3
494.26886	3.0
497.48026	0.8
519.42108	1.6
523.23206	1.5
537.43109	3.1
538.25629	8.1
551.26520	1.4
565.28278	1.2
567.29474	6.9
593.45551	11.9
611.28992	36.8
611.46722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10838	3.5
57.03464	3.8
58.03448	3.5
65.68618	3.8
67.05506	6.6
79.05488	8.6
81.07065	26.5
83.64418	4.5
84.77101	4.5
88.18881	3.8
93.07028	18.0
95.08603	15.6
105.07034	6.5
107.08578	7.8
109.10224	6.8
119.08541	17.2
121.10142	4.9
131.08571	7.2
133.10150	9.4
143.08667	6.5
145.10159	6.3
147.11646	5.6
159.11682	7.0
160.82545	4.6
161.13202	6.5
174.48375	4.3
175.14835	5.5
211.67067	4.3
242.08122	5.7
328.61017	4.3
335.25732	9.2
460.21707	5.5
465.22537	5.8
503.23697	5.5
534.25220	5.9
545.86200	5.9
551.26031	7.6
593.27826	7.2
611.27783	100.0
611.46631	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05019	3.6
56.89235	0.6
59.78233	0.7
60.04510	78.3
67.05498	5.4
69.07072	5.3
72.04488	1.6
74.06052	1.3
79.05475	2.7
81.07043	6.6
82.29093	0.8
83.08620	5.0
90.05528	1.1
93.06998	1.3
95.08561	7.9
97.10101	1.5
102.05533	0.8
106.62942	0.7
107.08582	1.3
109.10111	5.4
113.91470	0.7
119.08579	1.3
121.10110	1.3
123.11633	0.9
135.11647	0.8
250.25121	1.2
262.25137	1.3
280.26285	12.6
298.27264	6.0
303.52808	0.7
316.22345	3.4
316.28342	100.0
318.23911	2.9
320.09119	3.8
321.09348	1.4
336.12152	0.8
450.16721	4.2
479.20367	1.3
520.35040	0.9
522.18390	3.1
551.22644	4.8
601.22003	0.9
611.24670	14.1
611.51215	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98067	0.5
54.00111	0.6
55.05524	1.2
56.05046	1.7
60.04533	91.1
67.05502	5.3
69.07073	2.7
71.08637	0.8
72.04520	1.0
74.06073	1.5
79.05498	3.1
81.07060	7.3
83.08611	2.8
84.41386	0.7
91.05466	1.4
93.07056	2.4
95.08609	5.3
97.10175	1.5
107.08572	1.4
109.10152	2.8
119.08608	0.8
121.10136	1.7
123.11691	0.9
133.10115	1.5
135.11713	1.1
250.25293	3.0
262.25339	2.7
280.26321	14.2
298.27441	8.3
316.28464	100.0
478.19772	1.5
479.20987	1.1
551.23138	6.5
611.25037	15.1
611.52643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
56.05035	1.2
57.07088	1.2
60.04531	76.8
65.55169	0.7
67.05518	4.5
67.44820	0.6
69.07073	1.6
71.08589	0.7
72.04515	0.8
72.06541	0.7
74.06088	1.1
76.03760	0.7
77.19258	0.7
79.05512	1.3
81.07043	7.0
82.06571	0.7
83.08589	1.2
90.05510	1.0
91.05479	1.2
95.08607	6.7
95.83056	0.7
97.10148	1.2
109.10165	3.6
112.07598	0.9
119.08533	1.0
121.10107	1.2
123.11682	0.7
133.10060	1.0
148.22794	0.9
262.25259	1.4
280.26364	12.7
298.27405	8.6
316.28455	100.0
320.09238	1.6
321.09805	1.1
364.61084	0.9
583.28375	1.8
611.18439	1.4
611.28296	32.6
611.50989	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05037	3.5
57.07077	1.0
57.29827	0.5
60.04533	88.0
60.40722	0.5
67.05513	4.0
69.07064	3.5
69.98053	0.5
71.08614	0.7
72.04497	2.1
74.06099	2.1
76.15028	0.5
79.05489	2.5
79.27301	0.5
81.07069	6.8
82.06606	0.7
83.08614	3.2
86.06051	0.6
90.05555	0.8
91.05471	2.2
93.07055	3.2
95.08612	8.3
97.10173	2.6
105.07015	1.0
107.08617	1.4
109.10166	2.5
114.09109	0.5
119.08577	1.4
121.10153	2.4
123.11665	1.1
133.10130	2.3
135.11707	2.0
147.11655	0.8
234.87328	0.7
248.23755	0.6
250.25264	2.2
262.25208	2.4
268.26193	0.6
280.26401	11.4
298.27426	8.0
316.28455	100.0
320.09219	1.1
321.09720	0.9
549.96991	0.6
611.28406	17.1
611.44122	1.2
614.99237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
56.05035	1.2
57.07088	1.2
60.04531	76.8
65.55169	0.7
67.05518	4.5
67.44820	0.6
69.07073	1.6
71.08589	0.7
72.04515	0.8
72.06541	0.7
74.06088	1.1
76.03760	0.7
77.19258	0.7
79.05512	1.3
81.07043	7.0
82.06571	0.7
83.08589	1.2
90.05510	1.0
91.05479	1.2
95.08607	6.7
95.83056	0.7
97.10148	1.2
109.10165	3.6
112.07598	0.9
119.08533	1.0
121.10107	1.2
123.11682	0.7
133.10060	1.0
148.22794	0.9
262.25259	1.4
280.26364	12.7
298.27405	8.6
316.28455	100.0
320.09238	1.6
321.09805	1.1
364.61084	0.9
583.28375	1.8
611.18439	1.4
611.28296	32.6
611.50989	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.4
60.61433	0.2
70.06595	1.8
72.08159	0.4
76.40985	0.2
81.03432	0.2
84.08129	0.4
85.72102	0.2
86.09691	0.2
91.05505	0.2
91.99592	0.2
96.98976	0.2
97.02921	0.3
104.08474	0.2
112.05074	0.4
114.30398	0.2
119.04938	0.3
122.61791	0.2
136.07643	0.3
137.05887	0.2
175.03960	1.3
180.99776	0.3
207.06526	1.2
328.09546	0.5
338.13806	0.3
339.14255	0.4
345.10089	0.3
346.10718	8.4
347.11499	0.5
352.08038	2.6
360.08606	0.3
377.08865	0.5
394.67181	0.3
406.09497	0.3
434.08743	1.0
450.11819	100.0
612.16577	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.4
60.61433	0.2
70.06595	1.8
72.08159	0.4
76.40985	0.2
81.03432	0.2
84.08129	0.4
85.72102	0.2
86.09691	0.2
91.05505	0.2
91.99592	0.2
96.98976	0.2
97.02921	0.3
104.08474	0.2
112.05074	0.4
114.30398	0.2
119.04938	0.3
122.61791	0.2
136.07643	0.3
137.05887	0.2
175.03960	1.3
180.99776	0.3
207.06526	1.2
328.09546	0.5
338.13806	0.3
339.14255	0.4
345.10089	0.3
346.10718	8.4
347.11499	0.5
352.08038	2.6
360.08606	0.3
377.08865	0.5
394.67181	0.3
406.09497	0.3
434.08743	1.0
450.11819	100.0
612.16577	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54377	0.2
53.15250	0.2
53.24880	0.2
53.35451	0.2
67.39158	0.2
70.29087	0.2
77.11221	0.2
105.37894	0.3
151.36580	0.3
292.09760	3.4
320.09167	100.0
374.13953	0.5
392.24942	0.3
521.30621	0.2
612.29553	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87436	0.2
59.26671	0.2
70.77443	0.2
96.08746	0.2
165.28020	0.3
292.09683	2.4
320.09186	100.0
322.10736	0.6
329.08514	0.3
338.75760	0.3
374.13788	1.9
425.16068	0.3
528.20093	0.4
612.29565	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43409	0.3
60.04524	0.6
68.55423	0.4
105.07023	0.6
113.55708	0.5
163.53229	0.4
178.08603	2.5
292.09680	3.0
294.11539	0.5
318.07550	1.0
320.09155	100.0
321.09616	2.2
336.12256	7.9
358.11032	0.7
372.12177	1.1
612.29321	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29117	0.5
64.70087	0.5
67.05520	0.5
69.07065	0.8
70.16975	0.4
81.07053	1.4
84.77585	0.5
86.09734	0.5
93.07030	0.8
95.08602	1.2
121.27018	0.5
282.93515	0.5
292.09711	0.9
320.09177	100.0
524.46326	0.6
612.29504	31.4
612.46240	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90095	0.4
63.08918	0.4
73.00363	0.5
84.33172	0.5
87.17199	0.5
92.21001	0.6
93.07050	0.7
95.08627	0.6
99.50426	0.5
105.07050	0.8
107.08633	0.6
123.61867	0.5
154.12169	0.5
199.03900	0.9
206.21144	0.5
216.01242	0.5
221.15187	0.5
292.09683	6.2
297.87720	0.6
304.09622	0.9
306.07544	2.6
307.08234	0.6
308.68994	0.5
320.09158	52.9
321.09961	26.2
321.12973	0.5
334.10669	0.8
336.12283	100.0
337.12589	2.1
372.12286	0.8
552.26617	2.5
612.29388	23.1
612.47552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58258	1.3
53.03956	3.6
55.05503	3.0
55.43516	1.3
57.03435	2.2
62.22172	1.4
67.05505	9.5
69.03431	3.1
69.07081	3.7
71.04971	3.0
73.02922	31.0
74.46322	1.4
79.05494	18.1
80.14440	1.4
81.03423	16.6
81.07063	15.4
81.56487	1.8
83.04988	3.8
83.08609	1.7
85.02914	3.6
87.04437	3.0
91.05471	9.0
92.21014	2.6
92.21545	2.1
93.07042	21.7
95.04964	8.2
95.08582	12.0
97.02888	12.8
99.04454	100.0
105.07025	10.7
107.08589	11.7
109.02887	4.0
109.10152	2.7
111.04447	3.4
117.07013	6.4
119.08625	11.7
121.10146	18.6
127.03917	10.2
129.06996	2.9
131.08553	6.7
131.70891	1.5
133.10135	10.5
135.11693	9.0
141.05524	2.3
143.08597	2.7
145.10114	6.7
147.08095	2.1
147.11697	7.5
149.13275	2.3
157.10085	3.1
159.11673	7.6
169.10126	2.5
171.11736	2.5
173.13237	3.9
173.99466	1.5
176.79486	1.6
178.13536	2.0
183.11646	2.3
185.13150	1.7
213.16429	2.1
233.19048	6.5
243.08603	12.2
270.46896	1.7
299.19965	2.6
319.08353	2.0
323.20035	3.4
334.10675	9.6
336.12177	3.3
341.21164	12.4
359.22098	6.9
377.23053	3.5
439.24643	10.6
457.25897	21.4
475.26886	17.6
493.27710	2.4
535.68481	2.0
549.21368	1.9
612.33002	6.9
612.43958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
53.34616	1.6
53.61341	1.4
55.05519	3.8
67.05520	13.2
69.03435	8.0
69.07081	7.4
69.40602	2.1
71.04983	2.2
73.02917	23.0
79.05510	15.3
81.03428	17.4
81.07063	15.0
83.04964	2.4
83.08629	2.0
85.02892	3.2
91.05477	11.4
92.21032	3.0
93.07042	26.3
95.04986	3.3
95.08601	10.6
96.82587	1.9
97.02879	11.2
97.06551	2.2
99.04454	100.0
105.07018	10.1
107.08595	9.6
109.10155	4.8
111.04414	2.5
117.07019	7.7
119.08585	16.2
121.06482	2.1
121.10145	12.4
123.11691	2.2
127.03926	4.5
129.06947	2.2
131.08543	7.7
133.10155	12.6
135.11655	7.5
143.08557	2.8
145.10135	7.2
147.11710	9.4
149.13237	2.6
157.10094	3.4
159.11707	3.8
161.13139	2.5
171.11690	3.8
173.13245	3.2
183.11740	2.8
187.11151	3.1
213.16417	3.1
215.17918	4.7
231.17308	2.5
233.19124	2.9
243.08614	17.6
292.09564	3.3
319.08154	4.2
320.09204	8.6
321.09933	12.2
323.19983	3.9
325.10690	2.2
334.10748	23.7
336.12314	40.0
341.21033	10.6
346.43185	1.8
359.22318	8.5
360.12335	3.0
377.23029	2.8
414.16931	7.7
439.24527	11.0
457.25848	19.8
475.26874	12.4
493.27896	7.6
518.10895	2.1
524.05054	2.2
561.14624	2.2
612.32721	30.3
612.45490	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	5.2
67.05517	2.9
68.84613	1.3
69.07061	2.6
74.51600	1.1
76.04295	1.2
77.23341	1.2
77.60036	1.3
79.05495	1.3
79.24628	1.0
81.07063	5.1
83.08612	2.3
86.00518	1.1
95.08654	1.3
107.08564	1.3
109.10164	10.5
111.08087	1.3
137.09581	2.0
149.13225	1.4
153.13875	6.5
154.12271	100.0
166.15927	1.5
168.13872	10.4
170.11725	2.1
171.14932	52.6
181.17081	1.8
182.15408	83.2
185.16536	2.3
196.16980	6.4
199.14410	4.9
199.18065	20.8
210.18544	19.8
212.16451	2.4
224.20068	1.6
226.17992	2.1
227.17618	1.7
320.09140	6.9
333.25485	1.8
334.10544	1.4
347.26981	2.9
348.25146	4.7
365.27792	8.4
369.27585	25.9
383.29056	55.5
386.84860	1.2
425.33960	24.2
439.35843	1.9
591.79211	1.3
612.25970	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07098	10.8
59.82932	9.3
64.42535	9.4
71.08630	28.6
80.57072	9.7
82.74560	11.9
89.06030	100.0
98.64938	13.0
100.68566	13.7
133.08549	20.1
155.33766	12.1
198.78870	12.4
332.37177	13.7
595.47644	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2281
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
58.38417	1.5
61.49474	1.4
62.14786	1.3
65.03954	13.8
78.49567	1.5
80.33936	1.6
82.04189	2.5
83.54119	1.7
91.39320	1.6
93.03406	15.1
110.03663	15.1
111.04430	21.7
119.71941	1.9
121.02880	20.7
123.04430	1.8
125.05997	20.3
133.06516	2.5
137.05986	11.8
138.03148	2.0
140.63208	1.8
145.06485	3.8
151.03941	2.9
151.07568	2.7
151.25415	1.5
153.05470	100.0
159.08054	3.4
161.05933	3.1
165.05473	2.8
167.07047	26.8
171.06483	2.5
173.06038	2.9
175.07538	3.6
180.07755	2.0
181.04973	32.7
186.59277	1.8
187.07500	2.1
191.06981	3.7
205.08568	2.4
207.06464	3.8
208.07321	4.3
209.08038	1.9
219.08243	1.9
225.07549	6.8
236.08421	2.2
239.07072	2.5
247.09676	12.4
251.10577	2.9
253.08627	11.2
254.09421	2.6
264.07870	2.7
265.08517	2.5
267.10190	2.7
269.11758	6.4
276.07855	2.8
279.16068	2.1
295.09656	2.2
297.11218	15.0
307.09497	4.1
310.08441	2.4
320.09061	3.8
325.10709	44.6
338.13626	2.3
339.12238	30.8
341.13605	3.0
351.12122	6.7
355.11740	9.7
357.13318	49.1
369.13303	3.3
387.14441	4.0
524.64117	2.0
613.22864	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02923	2.5
91.05473	2.6
95.69992	1.9
107.04980	12.8
108.74150	2.1
119.04915	3.4
121.06516	11.1
129.34860	2.1
131.04944	2.6
135.08040	4.1
149.05998	23.6
151.07564	3.4
153.05458	45.1
159.08076	4.6
162.56721	2.4
167.07057	33.9
171.06538	3.0
173.06013	3.8
179.07062	14.1
181.04958	92.3
181.08595	15.9
191.06998	20.9
191.08545	2.5
192.07637	2.2
193.08636	3.2
199.09683	11.9
205.08545	5.4
207.06516	13.6
209.08083	77.5
216.04164	9.3
219.08090	5.3
222.06696	3.4
227.09148	13.4
231.06503	33.5
233.05948	3.8
235.07568	3.4
237.09045	12.4
244.07292	8.6
247.07571	4.5
250.06151	3.2
263.38864	2.2
264.07803	4.5
265.08710	20.4
275.06979	7.9
277.08594	4.0
278.06012	2.6
279.06604	2.9
279.10153	11.1
281.07962	3.5
282.08850	3.7
292.07248	9.3
293.08060	26.9
294.08881	5.1
295.06174	2.8
295.09573	3.3
296.10419	3.0
297.11203	15.3
307.09756	19.5
309.11182	2.9
310.08469	3.7
311.09067	14.1
311.12857	9.5
311.50616	2.9
319.08429	10.0
320.09286	5.1
323.09045	10.1
324.10019	2.8
325.10641	45.3
326.11493	15.5
327.08563	16.5
334.10815	10.6
338.07861	4.0
339.08636	3.5
339.12241	13.7
341.09735	6.8
342.11023	23.1
353.10144	39.4
355.11755	4.6
356.12534	4.2
357.13312	100.0
361.12787	3.8
367.11700	5.6
368.12747	23.1
369.13339	9.7
371.14908	23.1
385.12784	40.0
397.12720	4.9
399.14441	61.4
402.58228	2.5
415.13837	4.9
416.14447	4.2
491.82639	2.2
514.35358	2.8
565.20581	12.7
595.21362	3.6
613.22235	2.5
633.78424	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20761	0.7
67.05503	1.6
70.95556	0.9
81.07052	4.3
93.07041	3.6
95.08630	1.2
98.90643	0.8
105.07047	2.2
109.10151	1.2
121.10128	0.9
133.10178	1.1
134.63257	0.8
157.10204	1.0
159.03096	0.9
162.06235	1.0
178.08624	11.1
179.08983	6.0
204.30588	1.0
226.60851	1.0
279.20447	1.0
317.18015	3.4
318.24051	30.7
320.09137	1.8
321.09634	1.7
334.10645	1.5
335.18903	8.6
341.14862	1.1
353.19904	3.5
386.26624	1.0
393.37302	0.8
423.21503	3.0
432.23019	1.3
433.23889	5.5
463.21375	1.0
467.20810	3.9
473.23151	1.1
475.25433	6.2
477.22650	4.2
478.23657	3.7
481.22110	1.0
486.20514	1.9
491.24307	4.7
492.25021	6.3
495.23611	1.2
501.22879	53.0
503.20764	19.5
503.38571	0.9
504.21310	1.4
519.23932	31.3
536.23816	5.9
539.22968	1.5
540.23602	3.4
545.21661	1.9
551.26459	14.4
563.23163	1.6
569.27509	5.2
577.57159	1.1
595.25287	1.8
613.26367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48685	2.0
73.13444	2.3
75.25937	1.9
81.07046	2.4
92.29739	1.7
95.08613	2.2
109.64725	2.0
121.10095	2.9
221.31429	2.3
238.13541	2.1
239.77185	2.2
318.23996	11.4
320.09189	36.3
321.09494	24.3
336.12296	4.9
337.12576	4.1
355.20151	2.4
463.21188	3.2
478.24115	2.5
479.24496	2.5
481.22348	8.0
492.25204	8.4
493.26089	3.1
495.23795	3.5
501.22919	21.6
503.20660	7.9
519.23816	23.6
522.22174	3.9
537.25293	16.1
540.23639	4.6
551.26459	45.6
569.27527	86.4
613.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83784	0.5
53.03949	6.0
71.04979	1.4
81.03433	7.0
81.07051	1.0
85.02911	8.2
85.69341	0.7
93.07034	0.8
95.08604	3.2
97.02891	1.7
99.04459	100.0
101.82944	0.6
105.07053	1.5
107.08589	1.7
109.02901	1.3
109.10130	2.9
117.05499	13.4
119.08582	1.1
121.10124	1.2
127.03932	3.4
128.44128	0.6
131.08571	3.5
133.10121	3.4
137.05997	1.5
145.04941	1.0
145.10132	4.4
147.11688	3.9
157.10149	1.2
159.11662	2.7
167.07069	0.9
171.11743	1.6
173.13188	1.0
181.05034	1.0
197.13242	3.2
199.14845	1.5
225.16422	1.6
239.18011	2.9
243.08731	1.4
253.19484	5.6
255.20998	2.9
261.09622	9.1
269.18884	0.9
271.20499	5.9
273.22037	1.3
281.19037	4.0
287.20084	1.3
289.21600	4.2
299.20007	10.1
317.21176	10.8
318.07578	2.8
319.08356	6.4
320.09241	6.0
321.09631	3.3
334.10757	12.5
335.10959	2.8
335.22156	11.0
336.12222	4.0
353.23203	1.4
431.30566	0.8
479.26068	1.0
497.27634	1.0
505.45612	0.9
515.40253	0.8
539.19934	0.8
559.28821	1.2
577.29791	3.7
595.31335	1.0
613.23010	8.3
641.04919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10133	3.3
81.07025	5.9
95.08627	4.7
110.03290	4.7
112.11404	4.0
151.01285	3.6
163.42152	3.7
182.72099	3.9
198.37721	4.1
201.23766	3.7
242.24675	6.5
267.03375	4.5
359.53818	4.6
401.51724	3.9
522.31287	4.1
613.44116	100.0
613.54828	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.35699	1.4
52.02784	1.4
55.05520	7.6
57.03459	1.9
57.07091	2.8
67.05511	14.7
69.07082	9.3
79.05512	7.5
81.07062	22.0
83.08633	3.1
91.05486	3.6
93.07078	11.5
95.08613	20.7
97.06565	2.6
97.10223	2.1
105.07068	9.0
106.57018	1.8
107.08627	10.1
109.10188	8.0
119.08607	12.7
121.10166	7.3
131.08595	8.5
133.10153	9.6
135.11725	8.8
145.10152	11.5
146.15773	1.9
147.11783	2.8
149.13319	3.6
157.10141	3.2
159.11682	5.0
161.13295	3.9
169.10175	2.6
170.51424	2.2
171.11823	3.1
173.13318	8.5
175.14946	3.6
189.16325	2.4
190.05014	2.5
239.18172	2.0
320.09247	3.6
334.29425	2.1
542.56427	2.8
595.47345	3.0
612.28949	2.0
613.33142	3.7
613.48462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.2
56.52710	1.9
57.07085	3.0
58.97806	2.4
59.32954	2.0
60.43354	1.9
67.05502	6.6
69.07060	3.6
79.05499	3.7
81.07049	13.0
83.08610	2.9
93.07056	5.5
95.08591	11.1
105.07087	3.0
107.08554	4.4
109.10132	3.5
114.80097	2.9
119.08566	10.0
121.10090	4.9
129.07005	2.7
131.08600	5.0
143.08574	2.9
145.10136	3.9
147.11658	2.8
149.13264	3.3
163.14870	2.4
173.13155	3.4
187.14899	4.4
194.43806	2.6
199.14746	3.4
201.16425	3.0
351.73303	2.8
613.44690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05527	11.6
57.03436	2.8
57.07079	2.1
59.44108	1.0
65.03942	1.1
67.05508	27.4
69.06750	1.2
69.07060	11.6
71.05022	1.4
79.05488	15.8
81.07059	32.0
83.04971	1.2
83.08624	10.5
91.05466	13.5
93.07038	21.0
95.04958	1.6
95.08605	30.9
95.82348	1.1
97.06510	2.4
97.10178	3.0
105.07032	14.7
107.08608	15.0
109.10184	15.3
111.41077	1.2
117.07017	7.7
119.08576	22.3
121.10154	14.1
123.11701	5.7
129.06995	2.0
131.08557	12.6
133.10136	17.6
135.11691	9.5
137.13232	1.8
143.08528	2.5
145.10132	13.9
147.11690	12.3
149.13167	4.4
157.10155	6.8
159.11681	11.0
161.13252	9.9
169.10132	1.9
171.11694	7.7
173.13252	8.3
175.11234	1.5
175.14801	6.8
183.11768	1.9
185.13237	4.6
187.14832	2.8
199.14828	3.0
201.16414	2.4
211.14862	1.3
213.16364	1.6
227.18013	1.7
241.19524	2.3
243.21100	1.6
259.20602	11.1
285.21860	1.6
297.54105	1.3
333.24182	6.4
335.25757	5.7
337.27310	14.7
438.98746	1.5
521.43475	2.2
580.23334	2.3
595.47479	9.6
613.48553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.7
57.03467	1.2
57.07077	2.7
62.96494	1.6
67.05511	27.3
69.07082	11.6
69.87752	1.4
79.05496	13.9
81.07063	32.1
81.07511	3.0
83.08613	8.3
91.05488	9.2
91.54237	1.6
93.07043	19.4
95.08608	26.1
97.10169	2.3
105.07025	12.2
107.08591	15.5
109.10159	10.4
111.08089	1.7
117.07026	3.4
119.08575	21.7
121.10194	11.9
123.11676	2.0
129.06984	1.9
131.08563	10.5
133.10141	13.5
135.11696	8.1
145.10120	14.2
147.11688	9.9
157.10075	3.8
159.11707	6.8
161.13254	8.9
163.11140	2.3
163.14865	1.5
171.11658	1.6
173.13252	3.8
175.14841	6.7
185.13338	1.7
227.18066	2.3
259.20630	9.5
333.24249	2.8
335.21960	2.8
337.27380	17.4
344.13934	1.6
423.72519	1.8
469.44904	1.6
515.87146	1.9
595.47052	3.6
613.45935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49196	0.3
60.04533	2.5
70.50561	0.3
81.07058	0.5
92.21500	0.3
133.33691	0.3
149.06006	0.5
178.08629	7.6
179.08963	3.5
186.56136	0.4
191.52324	0.4
202.68886	0.3
316.28360	0.6
317.28784	1.6
318.24023	100.0
320.09219	2.6
321.09448	1.8
335.18881	0.7
613.32697	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65479	0.3
62.71009	0.4
63.67837	0.4
66.10281	0.4
66.97703	0.4
70.21365	0.4
85.02898	0.5
111.27834	0.4
174.90997	0.5
188.03345	0.7
195.53546	0.4
234.05045	0.4
276.06464	0.5
290.08105	12.3
302.08142	3.8
304.06094	12.1
307.08060	0.5
318.07596	16.5
318.10965	0.6
319.08398	60.8
320.09109	2.4
321.09131	0.5
334.10739	100.0
336.12283	0.7
336.29993	0.4
344.08957	0.7
346.10675	1.0
348.12415	2.0
358.10648	0.9
359.11493	0.5
362.09839	0.5
376.11517	0.7
614.14673	32.9
614.23151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90797	0.7
56.80254	0.6
82.81035	0.7
123.63031	0.8
138.23375	0.9
161.48753	0.8
231.00674	0.8
251.80739	0.9
286.34262	0.8
286.37704	1.0
294.07642	1.0
304.06134	1.0
319.08350	3.4
320.09100	4.0
321.09726	1.4
334.10574	6.1
336.04993	22.1
336.12338	1.0
350.06616	1.8
351.07370	100.0
366.09726	64.7
614.14886	30.2
614.24030	1.7
641.55713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04554	0.7
58.73640	0.7
82.26696	0.8
83.42402	0.8
99.04440	3.6
152.54129	0.9
167.06996	3.3
168.07405	1.5
181.05028	1.8
191.06975	1.5
296.09161	5.4
302.03677	1.0
306.07932	0.9
307.08228	2.0
310.07098	31.5
320.09183	6.0
324.08377	1.5
325.09433	100.0
334.10706	1.0
336.12350	1.7
340.11807	74.9
348.08707	6.3
354.09604	1.3
388.11658	6.0
388.15814	2.0
406.16251	3.6
416.11163	3.8
452.13599	3.6
604.86621	1.3
614.18494	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13734	0.2
54.83334	0.2
57.27760	0.2
58.18154	0.2
63.26971	0.2
69.90735	0.2
80.65209	0.2
99.04459	0.3
101.27942	0.2
121.06511	0.2
122.83487	0.2
164.07065	0.5
178.08655	0.3
330.11273	0.2
348.12250	5.2
378.10025	0.2
379.10443	0.4
436.10306	1.4
452.13388	100.0
541.19452	0.2
614.18292	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31420	0.2
53.39790	0.2
54.59877	0.2
65.05524	0.2
65.25473	0.2
67.38464	0.2
71.15993	0.2
73.39641	0.3
115.31765	0.2
120.34669	0.2
185.55696	0.3
283.32788	0.3
321.03644	0.3
326.10172	0.4
348.12256	4.5
354.09464	0.6
356.26874	0.3
356.31329	0.3
366.15488	0.3
378.09482	0.3
379.10410	0.5
408.10788	0.3
436.10446	1.3
452.13373	100.0
491.25491	0.3
604.44580	0.3
614.18561	10.8
614.28357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46109	0.2
81.30399	0.2
96.19292	0.2
96.21859	0.2
99.04443	0.4
108.42502	0.2
121.06483	0.4
143.01047	0.2
175.14752	0.3
178.08540	0.2
206.65616	0.2
348.12292	5.0
354.09570	0.9
370.27206	0.3
379.10648	0.3
408.10718	0.2
436.10162	1.2
452.13364	100.0
543.30194	0.2
614.18384	7.6
614.26935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11172	0.5
60.17575	0.4
75.31403	0.5
76.78766	0.5
78.44576	0.5
81.16035	0.5
81.26646	0.5
84.79008	0.6
99.87637	0.5
119.04890	0.8
119.08559	1.0
138.15916	0.5
147.04445	1.3
175.03909	5.9
175.14818	2.8
207.06526	14.3
209.34752	0.6
250.08621	1.3
265.07098	0.6
266.08090	0.7
278.04605	0.9
278.08069	5.4
279.08917	4.1
280.06345	1.1
280.09683	4.6
293.06772	10.3
294.07626	4.9
295.08301	9.5
302.38638	0.7
306.03906	8.6
307.08371	1.1
309.09930	3.1
310.10941	3.8
316.75067	0.5
321.06299	37.8
323.07727	5.9
324.05023	2.7
334.10638	0.6
336.08636	64.2
339.07333	2.2
354.09689	100.0
369.11737	2.1
412.96066	0.6
578.16638	0.6
614.18506	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46733	0.2
65.63441	0.1
68.83825	0.2
69.03383	0.2
70.06538	0.3
86.76749	0.2
99.04341	0.2
112.71997	0.2
137.05907	0.8
175.06261	1.5
212.07008	1.4
322.07080	0.2
329.10797	0.2
331.11859	0.4
346.10730	0.4
347.07712	0.7
347.11719	0.7
348.12250	7.8
349.13336	0.3
360.08420	0.3
360.12354	0.7
362.10226	1.3
370.10809	0.8
374.10284	0.3
375.10852	0.4
379.10391	0.8
388.11746	2.7
392.11240	1.1
406.12817	7.0
411.88141	0.2
424.13596	0.3
434.12338	8.4
452.13379	100.0
614.18677	15.4
614.61859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20655	0.4
65.89912	0.4
68.30242	0.4
70.06592	0.8
75.07508	0.4
76.79321	0.4
94.29369	0.5
97.06476	0.4
108.50731	0.4
118.79937	0.4
121.06492	0.5
126.73689	0.4
137.06009	0.5
152.23950	0.4
166.36722	0.4
176.07022	0.8
194.08157	0.6
281.48856	0.5
306.67462	0.5
309.16888	0.5
348.12247	12.9
360.08600	1.1
362.09750	0.5
365.13297	0.6
406.12802	1.0
434.12195	2.3
452.13394	100.0
614.18268	12.9
614.36847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72030	0.2
63.08902	0.2
70.06641	0.3
81.03477	0.3
82.06670	0.2
84.08198	0.5
85.02931	0.4
86.09789	0.3
87.04520	0.3
89.73244	0.2
97.02943	0.2
99.04509	1.5
117.04231	0.3
121.06589	1.4
137.05879	0.2
156.39934	0.2
163.04016	0.3
183.88069	0.2
330.11160	0.2
331.12140	0.3
332.08972	0.3
336.08777	0.5
347.11600	0.3
348.12238	5.4
354.09705	0.4
375.11292	0.4
378.09723	0.3
379.10373	0.8
408.10516	0.3
412.01837	0.3
436.10486	1.1
452.13385	100.0
539.60760	0.3
596.23236	0.3
614.18427	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59805	0.2
55.05474	0.2
68.03107	0.2
68.86836	0.2
86.72209	0.2
87.69370	0.2
90.31847	0.2
92.20932	0.3
93.49770	0.2
103.55679	0.2
132.77602	0.2
151.43965	0.2
192.80821	0.2
207.42422	0.2
326.10529	0.3
330.11539	0.3
333.09653	0.2
334.10901	0.3
336.12573	0.3
348.12320	4.9
378.09680	0.3
379.10779	0.4
436.10123	0.9
452.13388	100.0
602.61407	0.2
614.18579	7.8
614.34344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24184	0.4
69.05006	0.4
75.73908	0.3
79.99175	0.4
85.32135	0.4
119.59323	0.5
121.76565	0.4
128.39082	0.4
149.60429	0.4
157.65091	0.4
167.06990	0.4
175.03885	2.5
198.70538	0.4
207.06522	6.4
245.43056	0.4
249.07828	0.5
250.08621	1.9
264.06497	0.7
265.07388	1.6
278.04434	2.7
278.08093	4.1
279.08829	5.1
280.06345	1.3
280.09680	3.6
293.06805	11.4
294.07742	5.1
295.08344	9.3
306.03998	9.6
306.07275	0.8
307.08353	1.0
309.09903	4.2
310.10739	4.8
320.09045	0.5
321.06290	43.9
323.07864	4.7
324.04974	1.8
334.10559	0.5
336.08649	67.8
339.07288	2.6
354.09689	100.0
369.11786	0.6
513.02869	0.5
614.18427	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
82.66528	1.1
91.30059	0.9
105.89764	1.0
108.67938	0.9
119.05046	1.1
167.07045	5.2
172.84766	1.0
188.88548	1.0
195.08423	1.2
207.36707	1.2
250.19960	1.0
251.62109	1.1
313.83401	1.2
319.08438	2.1
320.09039	5.0
322.10895	1.3
332.12686	1.4
334.10687	6.1
336.12305	2.1
346.10776	5.7
346.14804	1.4
347.11465	1.6
348.08554	2.3
349.13242	1.0
360.15979	1.9
362.09998	7.1
362.13977	5.0
363.10995	4.9
365.08136	1.1
375.14566	6.1
376.11469	3.8
377.12497	1.6
378.17062	2.4
388.15436	76.8
391.14059	17.1
406.16489	100.0
424.45123	1.2
545.83026	1.2
568.21777	39.0
586.22681	4.0
596.21234	33.0
614.16455	2.1
614.23975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
82.66528	1.1
91.30059	0.9
105.89764	1.0
108.67938	0.9
119.05046	1.1
167.07045	5.2
172.84766	1.0
188.88548	1.0
195.08423	1.2
207.36707	1.2
250.19960	1.0
251.62109	1.1
313.83401	1.2
319.08438	2.1
320.09039	5.0
322.10895	1.3
332.12686	1.4
334.10687	6.1
336.12305	2.1
346.10776	5.7
346.14804	1.4
347.11465	1.6
348.08554	2.3
349.13242	1.0
360.15979	1.9
362.09998	7.1
362.13977	5.0
363.10995	4.9
365.08136	1.1
375.14566	6.1
376.11469	3.8
377.12497	1.6
378.17062	2.4
388.15436	76.8
391.14059	17.1
406.16489	100.0
424.45123	1.2
545.83026	1.2
568.21777	39.0
586.22681	4.0
596.21234	33.0
614.16455	2.1
614.23975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
75.44737	0.3
77.97278	0.3
78.71648	0.3
90.27097	0.3
184.22327	0.4
185.16197	0.3
268.83185	0.3
278.07907	0.3
292.09622	11.1
304.09634	1.2
306.07584	3.9
319.08218	0.3
320.09164	14.4
321.09940	32.6
334.10757	1.3
336.12283	100.0
362.62167	0.3
526.52637	0.4
614.22339	35.9
628.65582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	0.9
67.23970	0.6
107.81575	0.8
109.01443	0.6
122.02943	0.7
177.05481	1.0
213.28908	0.7
221.12978	0.6
234.48737	0.8
280.09650	17.0
292.09680	14.6
304.05942	0.8
304.09637	1.5
306.07639	3.3
306.11102	1.4
319.08200	0.7
320.09213	10.6
321.09924	29.3
322.10754	2.5
334.10886	3.2
336.12265	100.0
338.13885	1.1
348.12164	1.0
358.14319	0.7
406.12766	0.8
420.14349	3.5
426.69559	0.7
434.16040	2.9
452.17020	4.5
462.15665	3.3
483.46442	0.8
494.18289	3.1
522.17719	1.0
554.20129	1.3
582.19604	1.4
614.22314	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58770	0.8
53.81355	0.7
54.91666	0.7
56.01822	0.8
60.35300	0.8
67.96804	0.7
81.07085	1.1
84.36615	0.9
105.07009	0.7
120.18535	0.8
158.70222	0.8
242.78644	0.9
244.19841	1.0
292.09457	1.1
310.01395	1.0
320.09158	100.0
334.10641	1.3
420.50790	0.9
429.06796	1.0
577.56598	1.0
589.61194	0.9
614.31317	36.9
614.47363	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50877	0.2
66.45238	0.2
71.39960	0.2
74.27755	0.2
75.50592	0.2
77.24330	0.2
86.95000	0.2
92.20991	0.4
209.36235	0.3
220.15091	0.3
274.27527	0.3
292.09619	2.8
318.07675	0.5
320.09158	100.0
321.09601	0.5
322.10248	1.0
336.12320	0.4
338.13782	1.0
396.28400	0.3
416.18777	0.3
541.10022	0.3
600.79919	0.3
614.31079	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46703	1.1
59.19763	1.1
60.56388	1.1
62.46939	1.2
63.62279	1.1
74.45164	1.1
80.00636	1.1
86.66261	1.3
86.79501	1.2
114.06095	1.4
127.38866	1.3
172.03925	2.4
190.04980	100.0
218.04468	14.7
220.84579	1.3
259.13834	1.5
320.09149	50.5
320.12726	2.0
322.10693	2.6
323.11447	5.6
336.12384	6.0
337.39786	1.3
338.13815	10.6
354.09784	31.6
354.87390	1.6
408.93567	1.3
600.04535	1.7
614.33704	31.3
614.46039	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24210	0.2
64.01439	0.2
68.13628	0.2
69.56063	0.2
91.78104	0.2
112.42097	0.2
112.79411	0.2
166.38187	0.2
237.57736	0.2
290.08295	0.2
292.09586	2.6
318.07907	0.4
320.09155	100.0
321.09473	1.7
322.06726	0.3
322.09888	1.0
336.12189	0.4
348.12329	0.3
379.98581	0.2
509.63403	0.2
562.94012	0.2
614.31201	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11189	0.3
59.05046	0.5
60.75764	0.3
64.16690	0.3
66.53051	0.4
67.05547	0.3
67.16846	0.3
105.74050	0.4
172.56888	0.4
174.05583	0.8
242.24875	0.5
244.69926	0.4
292.09598	3.5
306.07639	0.5
307.08090	0.4
308.09247	0.6
318.07663	0.6
319.08429	2.2
320.09174	100.0
321.09879	5.6
322.10596	2.5
323.11441	2.4
325.09659	0.4
334.10815	5.1
335.11554	0.5
336.09137	1.2
336.12289	27.1
337.12976	2.3
338.13916	3.6
356.11026	2.6
594.73553	0.5
600.49353	0.4
614.31085	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54507	0.8
67.59035	0.6
69.40656	0.6
81.07035	0.9
81.50086	0.7
88.26212	0.7
95.08588	0.9
120.35928	0.7
179.32806	0.8
320.09174	100.0
322.09909	0.9
336.12164	1.0
412.99841	0.7
614.31177	37.9
614.48553	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29021	0.5
68.08042	0.5
81.07068	1.2
89.98365	0.6
95.08652	0.9
106.51310	0.6
118.06544	2.5
119.81908	0.6
149.05978	2.6
161.05994	0.8
167.88010	0.7
173.05977	1.2
176.07082	6.1
185.06029	1.1
197.09753	0.8
199.07538	7.8
200.06937	0.8
216.06656	0.8
284.12735	6.4
286.14465	3.2
292.09613	3.4
300.15991	1.4
318.07306	0.9
319.08426	0.8
320.09167	81.2
321.09891	4.9
322.10590	1.1
323.11429	1.5
334.10907	4.4
336.08704	2.5
336.12299	20.3
338.05157	0.6
338.13803	4.2
383.09067	0.9
397.10641	1.1
398.11044	0.8
438.35678	1.1
459.14694	0.7
496.18582	0.9
508.18762	0.9
526.19763	4.3
614.31024	100.0
641.18665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53169	0.2
59.25664	0.2
62.26937	0.2
67.31006	0.2
68.41615	0.2
70.70122	0.2
118.43179	0.2
290.08020	0.3
292.09717	2.5
307.12219	0.2
318.07590	0.4
320.09183	100.0
321.09528	0.4
322.06915	0.4
322.10449	0.9
356.37653	0.2
378.15167	0.2
403.56287	0.3
413.22092	0.2
614.31189	17.3
622.29260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27022	0.4
55.05519	0.7
61.75928	0.5
67.05518	0.7
69.07082	2.4
71.01363	6.0
71.08627	0.5
77.49455	0.5
79.66147	0.5
81.07070	2.4
83.04977	0.9
83.08636	2.6
85.02910	2.1
92.78679	0.5
95.08590	2.1
97.06527	1.2
97.10175	0.7
107.08600	0.6
109.10168	0.8
124.07613	0.6
125.06007	1.2
142.08636	38.7
154.08632	11.1
159.02911	4.5
168.06563	1.3
168.10223	1.0
180.10294	0.7
182.11798	1.0
186.07603	18.4
194.11809	1.3
198.11287	0.9
213.95346	0.6
246.71638	0.6
292.09604	10.1
304.09839	1.2
306.07645	2.8
315.15228	0.6
320.09122	12.9
321.09946	30.4
334.10818	1.1
335.10962	2.2
336.12280	100.0
340.15228	0.7
349.05634	0.6
350.10153	0.6
402.33646	2.0
420.34763	3.7
438.35776	44.2
596.37677	2.6
607.66632	0.6
614.34564	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05040	2.4
57.07076	0.5
67.05500	0.7
69.03487	0.3
69.07058	0.7
70.06594	1.3
77.47094	0.3
79.05478	0.4
83.08601	0.4
85.55379	0.3
88.07607	2.3
90.60357	0.3
91.05462	0.3
95.08580	1.7
97.10147	0.6
102.09149	0.4
105.07003	0.4
106.08659	2.5
107.08530	0.4
109.06525	0.3
109.10149	3.9
111.11722	0.5
113.52713	0.3
119.08581	0.7
121.10113	0.4
124.11214	0.4
125.09653	0.8
135.08072	0.6
136.11194	0.5
137.09619	1.6
140.10710	0.6
148.50958	0.4
153.13855	2.0
154.12262	47.1
157.10182	0.3
168.13841	0.8
170.11716	1.5
171.14919	21.0
172.13303	0.8
182.15399	0.6
256.26270	3.1
274.27383	100.0
290.52127	0.4
292.09573	1.4
302.18494	0.3
305.22134	2.2
306.20575	1.6
320.09171	39.5
321.05606	0.4
321.09332	3.5
322.09824	1.7
323.23215	1.9
335.74045	0.3
341.24319	11.8
525.82990	0.3
614.30988	15.0
614.41357	0.6
614.51172	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05030	2.5
61.05978	0.3
69.07052	0.4
70.06599	0.9
86.09726	0.5
88.07607	2.6
106.08677	2.4
109.10157	3.3
111.11717	0.5
125.09696	0.5
131.58797	0.5
135.37056	0.5
137.09621	0.9
138.87509	0.4
139.52182	0.4
140.10675	0.9
153.09201	0.4
153.13841	1.9
154.12270	44.1
157.13342	0.6
168.13797	0.9
170.11710	0.9
171.14923	19.7
172.13365	1.6
182.15294	0.6
184.07214	0.4
256.26297	3.2
274.27390	100.0
292.09711	0.7
305.22339	1.6
306.20709	1.7
320.09149	28.8
321.09598	1.7
322.09689	0.8
323.23206	2.0
341.24347	12.3
383.77777	0.5
414.70328	0.5
614.31036	11.4
614.51477	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96003	1.3
70.04562	1.2
75.16101	1.2
75.35828	1.4
77.40971	1.3
78.39787	1.4
100.39179	1.5
132.95879	2.4
158.97404	6.3
168.95796	1.7
172.98961	7.4
176.98398	1.6
186.96881	3.6
191.00031	5.3
214.99997	22.0
216.97913	13.1
218.99463	3.0
223.25969	1.4
227.00014	9.3
233.01070	17.9
234.98973	100.0
241.01508	7.8
245.01042	8.6
253.00046	9.8
257.01001	6.2
266.02286	1.7
269.00989	1.9
275.02280	2.3
299.02097	2.6
317.03192	72.8
335.04218	87.7
353.05576	2.8
615.15552	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88898	0.2
56.28935	0.2
75.82853	0.2
80.10425	0.2
80.20074	0.3
81.86550	0.3
95.73466	0.2
155.10678	0.3
257.72116	0.2
299.95877	0.3
307.05716	4.1
331.10052	1.4
351.62543	0.2
395.94763	0.3
615.16840	100.0
631.29456	0.3
641.04840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57220	0.3
63.00932	0.3
69.04356	0.3
72.90968	0.3
87.04389	0.3
92.69782	0.3
137.36057	0.3
161.69160	0.4
180.06512	0.4
197.49777	0.3
201.66324	0.3
219.58492	0.3
259.80374	0.4
279.68765	0.3
331.07031	0.6
336.08450	0.5
349.08191	50.3
367.09286	4.1
435.11798	1.5
452.13242	4.0
453.12988	100.0
615.18256	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
75.69740	0.2
90.56759	0.1
225.41872	0.2
290.07932	0.3
292.09637	3.2
318.07590	0.8
320.09174	100.0
321.09619	0.2
336.12317	0.7
342.58185	0.2
395.58182	0.2
472.32559	0.2
593.84668	0.2
615.23389	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
64.36450	0.5
91.05492	0.7
94.29091	0.6
105.07053	1.5
107.04971	1.4
107.53249	0.6
115.05438	0.8
115.09853	0.6
119.04977	2.5
121.06519	0.8
123.04429	0.8
129.04944	0.6
133.06499	1.1
134.41238	0.6
145.06479	1.4
151.07529	3.5
153.05432	1.2
157.06479	1.2
159.07973	0.8
161.06013	3.9
163.07536	0.7
167.07028	52.6
169.06447	0.9
173.05980	4.1
175.07495	1.4
177.05489	0.8
179.07047	7.1
181.08623	3.0
187.07536	6.7
191.07022	2.8
193.08578	6.5
201.05489	3.1
202.06273	0.7
205.08633	4.5
206.09375	4.0
207.06520	1.5
209.08090	3.0
215.06955	0.9
216.07834	3.3
217.08609	1.2
219.06451	6.8
219.10069	1.0
221.07957	1.0
229.08601	1.0
231.08073	3.1
232.08662	0.7
233.08006	4.8
234.08913	6.0
244.48521	0.6
245.09576	2.2
247.09767	1.3
248.08328	4.5
259.07574	2.7
261.09033	1.0
262.09930	3.2
263.10666	11.4
265.08713	0.9
276.07861	2.8
277.08594	2.5
279.10184	0.8
290.09366	3.4
291.10199	10.3
292.11093	0.8
293.08157	2.5
304.07242	1.2
305.08362	1.0
307.09521	1.4
308.10272	4.8
313.10779	0.9
318.08667	0.7
319.08957	3.1
320.09177	1.2
321.07571	1.6
321.11301	0.9
322.11960	0.8
323.09393	0.7
323.12857	5.7
325.10562	1.2
334.10492	4.5
335.11087	1.2
336.10010	2.7
337.10629	4.0
341.10364	0.9
344.95599	0.7
345.13232	0.8
351.12173	6.0
352.12958	1.0
353.09909	2.5
368.12292	1.3
369.13562	1.0
375.14435	1.1
391.95477	0.8
399.14221	1.0
400.15317	4.3
401.15945	100.0
419.16849	4.8
567.08685	0.9
615.14240	0.7
618.94580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
64.36450	0.5
91.05492	0.7
94.29091	0.6
105.07053	1.5
107.04971	1.4
107.53249	0.6
115.05438	0.8
115.09853	0.6
119.04977	2.5
121.06519	0.8
123.04429	0.8
129.04944	0.6
133.06499	1.1
134.41238	0.6
145.06479	1.4
151.07529	3.5
153.05432	1.2
157.06479	1.2
159.07973	0.8
161.06013	3.9
163.07536	0.7
167.07028	52.6
169.06447	0.9
173.05980	4.1
175.07495	1.4
177.05489	0.8
179.07047	7.1
181.08623	3.0
187.07536	6.7
191.07022	2.8
193.08578	6.5
201.05489	3.1
202.06273	0.7
205.08633	4.5
206.09375	4.0
207.06520	1.5
209.08090	3.0
215.06955	0.9
216.07834	3.3
217.08609	1.2
219.06451	6.8
219.10069	1.0
221.07957	1.0
229.08601	1.0
231.08073	3.1
232.08662	0.7
233.08006	4.8
234.08913	6.0
244.48521	0.6
245.09576	2.2
247.09767	1.3
248.08328	4.5
259.07574	2.7
261.09033	1.0
262.09930	3.2
263.10666	11.4
265.08713	0.9
276.07861	2.8
277.08594	2.5
279.10184	0.8
290.09366	3.4
291.10199	10.3
292.11093	0.8
293.08157	2.5
304.07242	1.2
305.08362	1.0
307.09521	1.4
308.10272	4.8
313.10779	0.9
318.08667	0.7
319.08957	3.1
320.09177	1.2
321.07571	1.6
321.11301	0.9
322.11960	0.8
323.09393	0.7
323.12857	5.7
325.10562	1.2
334.10492	4.5
335.11087	1.2
336.10010	2.7
337.10629	4.0
341.10364	0.9
344.95599	0.7
345.13232	0.8
351.12173	6.0
352.12958	1.0
353.09909	2.5
368.12292	1.3
369.13562	1.0
375.14435	1.1
391.95477	0.8
399.14221	1.0
400.15317	4.3
401.15945	100.0
419.16849	4.8
567.08685	0.9
615.14240	0.7
618.94580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2434
Annotation	C11829
Peak:m/z	Relative Intensity
91.05499	2.0
92.21013	2.7
92.21481	2.2
99.04460	15.5
103.63765	1.5
105.07019	3.6
107.04954	21.0
131.04958	8.5
133.06488	7.0
135.08070	12.8
137.06003	3.1
147.04440	12.4
151.07556	3.9
153.05453	2.8
163.07530	17.7
165.09125	2.7
167.07039	100.0
177.05447	1.9
179.07088	10.8
181.04962	25.2
191.07066	18.6
192.41289	2.0
193.08620	13.2
195.10179	14.2
207.06479	33.0
207.08130	1.6
209.11665	4.5
211.09695	9.0
213.11227	15.1
222.06708	2.3
225.09142	3.4
235.05829	6.7
237.09084	3.0
241.10670	17.6
247.07635	1.8
253.08519	3.9
265.08591	4.2
281.08051	6.8
282.08966	2.0
284.10355	2.0
285.11298	4.4
293.08133	4.0
295.09595	7.1
297.11261	10.0
298.08264	3.1
299.08932	2.1
310.08493	2.6
311.09097	7.1
313.10675	28.5
314.11484	7.6
315.08551	2.3
318.07666	2.8
319.08386	7.3
320.09167	7.0
325.10696	12.4
326.11545	6.9
330.10767	4.0
334.10822	18.0
336.04950	4.3
337.05316	7.6
345.13330	51.7
351.07339	25.0
352.07730	45.3
353.10184	9.9
355.11642	6.4
357.13501	20.7
361.26538	2.3
366.09546	12.9
367.10077	26.8
373.12973	16.3
385.12796	42.3
403.13953	2.6
431.17035	9.7
483.71585	2.0
513.14001	2.2
598.16522	2.3
615.15936	9.6
615.20636	13.8
635.11041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2444
Annotation	C11829
Peak:m/z	Relative Intensity
52.71864	0.5
53.13791	0.5
55.01891	4.5
66.04262	0.6
91.05485	1.5
95.05006	0.9
103.05460	9.8
105.07018	1.2
107.04955	1.2
109.42431	0.6
110.99035	0.6
117.06944	0.9
118.04050	0.9
119.04959	4.9
131.04933	21.7
133.02841	1.1
133.06479	3.6
137.06013	5.1
140.11726	0.7
145.02817	0.6
145.06447	0.9
146.25983	0.6
147.04425	6.3
148.05170	7.3
149.05963	4.0
151.03870	0.7
151.07574	0.8
152.24980	0.6
161.05962	4.6
163.07526	19.8
167.07063	10.0
168.07358	0.7
173.05925	1.1
176.04697	2.9
177.05469	9.2
179.07008	0.9
181.04936	14.0
189.05478	2.6
191.07025	100.0
193.08638	1.3
205.08629	1.4
209.08058	4.6
217.08530	0.7
221.08063	11.1
320.09048	7.0
321.09622	4.2
334.10654	3.6
336.12189	1.5
337.12869	0.8
359.14810	1.1
388.14972	1.0
389.15881	3.3
407.16885	3.9
418.16269	4.5
419.16724	1.3
537.20923	0.8
539.80005	0.7
567.21759	1.1
569.22021	3.0
597.21344	1.4
615.24640	22.6
626.00677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2444
Annotation	C11829
Peak:m/z	Relative Intensity
53.11234	1.6
55.01878	3.6
65.03943	3.6
65.67364	1.7
66.91693	1.6
73.12280	1.6
95.04973	2.1
103.05506	3.1
105.07086	1.8
107.04946	2.4
110.03626	5.7
111.04465	9.7
114.09191	1.9
119.04926	2.4
121.02853	6.8
125.06012	7.0
131.04951	8.9
137.06007	6.9
147.04416	2.8
149.05951	2.5
153.05464	36.0
161.06018	3.7
163.07564	9.1
165.05411	1.8
167.07016	15.6
175.07553	1.8
177.05434	9.4
179.07065	2.1
180.81473	1.8
181.04965	39.6
181.08533	2.0
184.45674	1.9
191.07037	42.8
204.92654	1.8
207.06470	3.3
208.07379	2.3
209.08119	3.3
221.08107	6.8
225.07568	9.2
238.09933	2.1
240.07713	2.0
253.08566	19.0
253.12134	8.5
266.09344	1.9
267.10199	2.4
281.08112	3.8
281.11731	8.3
283.09695	8.7
284.10410	2.9
285.11142	3.5
295.09634	2.8
298.12003	6.8
299.12744	10.6
309.11099	8.4
310.11899	3.6
313.10681	15.7
313.14371	7.0
320.09247	7.1
321.09650	2.6
327.12329	21.6
331.15747	2.8
334.10748	2.9
336.12344	3.8
338.87726	1.8
341.13855	2.1
359.14883	100.0
371.14801	3.6
389.15955	22.1
436.36761	1.9
437.76428	2.2
567.32648	1.9
615.25201	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
95.78117	0.3
106.95117	0.3
118.06525	3.3
124.60057	0.3
132.08144	2.5
137.05962	0.5
142.06563	0.6
144.08093	5.9
146.06013	37.5
159.09187	4.6
160.07558	0.5
170.05919	2.0
188.07072	100.0
196.76328	0.4
205.09729	36.4
266.38089	0.3
300.27411	0.3
417.03455	0.5
604.27832	0.3
630.61993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81450	1.1
54.82676	0.6
59.54120	0.7
65.22815	0.8
76.55642	0.8
81.07023	0.8
89.18358	0.8
89.83633	0.8
179.58960	0.8
280.67084	0.8
340.89038	0.9
510.20309	17.7
524.21783	7.2
539.24182	100.0
615.25812	15.3
615.34570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59727	1.8
53.69405	1.9
82.14899	1.9
98.60096	2.1
105.55415	2.1
142.17764	2.6
145.65956	2.1
218.20920	2.4
255.28621	2.2
281.01682	2.4
358.40234	2.7
386.26651	2.4
439.70029	2.8
510.20267	16.8
524.21887	7.4
539.24182	100.0
543.70679	2.6
615.26111	28.9
615.49451	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44829	0.8
53.03945	5.4
55.36465	0.8
67.05508	1.4
69.03420	1.4
70.59225	0.9
73.61869	1.1
74.47613	0.8
74.82853	0.8
79.05486	1.0
81.03424	7.8
81.07052	9.0
84.32314	0.8
85.02892	7.2
85.67608	0.9
91.05481	1.3
93.07043	4.6
95.08612	7.9
97.02886	3.9
99.04458	100.0
105.07008	8.9
105.79373	1.0
107.08585	7.9
109.02859	1.1
109.10159	5.4
111.08087	1.0
117.05511	10.4
119.08580	5.7
121.06500	1.4
121.10158	5.3
123.08084	1.2
123.11732	1.8
125.09640	1.1
127.03877	3.7
128.16719	1.1
129.06979	1.2
131.08577	7.3
133.10143	5.9
135.11705	1.9
143.08514	3.4
145.10126	9.4
147.11687	5.8
149.09628	1.7
149.13255	1.8
157.10104	5.6
159.11720	6.3
161.09599	2.1
161.13237	1.9
163.04207	0.9
165.12869	0.9
169.10141	1.5
171.11642	2.3
173.13255	1.1
175.11121	2.2
175.14729	1.2
176.04108	1.2
177.12740	0.9
181.04924	1.2
181.10196	1.0
183.11639	5.5
185.13312	4.6
189.12720	1.4
191.06982	1.3
191.14380	1.2
197.13280	4.8
199.14850	4.8
205.15744	1.0
209.13278	2.0
209.15340	1.3
211.14809	1.7
213.16502	2.0
215.18037	1.3
223.14764	1.3
225.16428	4.4
227.14290	2.1
227.17943	1.3
230.57175	1.0
237.16269	1.3
239.17868	1.9
241.15930	1.2
241.19566	2.3
243.17366	2.2
253.19527	5.5
255.21010	9.6
257.19028	2.1
261.09683	5.6
265.19485	6.5
271.20486	6.0
273.22086	1.4
283.20596	25.9
286.54733	1.1
289.21613	6.6
291.23126	1.4
301.21619	21.1
319.22644	18.4
326.20065	1.0
337.08862	1.5
337.23648	5.5
354.09528	1.6
355.10001	3.8
355.24707	9.3
483.08887	1.0
499.28864	2.2
579.31378	1.8
597.31927	1.1
615.19342	1.1
642.80432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02601	2.9
66.23962	2.9
69.03423	7.5
81.07064	25.0
81.62329	3.7
83.08575	4.2
84.71600	4.0
85.02888	14.7
87.04475	4.5
93.07050	21.3
95.04970	4.7
95.08607	21.6
97.02863	7.9
104.46445	4.0
105.07023	13.9
105.39888	3.3
107.08595	28.6
109.10188	18.3
111.08147	3.7
115.03957	4.8
116.61208	3.2
119.08572	18.9
121.10152	6.1
123.11717	6.5
125.09577	3.8
131.08543	7.5
133.10124	8.0
145.10158	15.5
146.75403	3.5
147.11732	5.8
155.08540	4.4
157.10135	5.6
159.11700	9.1
161.13255	19.4
169.10240	5.1
171.11661	6.3
173.13261	8.3
175.14854	15.4
183.11670	5.5
185.13307	4.5
187.14880	7.1
197.13153	5.1
197.98825	3.6
199.14784	7.7
211.14839	8.5
225.16463	5.7
229.15881	6.6
257.22769	15.9
267.21017	38.8
282.98282	6.5
285.19229	6.7
285.22110	100.0
303.23105	7.0
321.09943	15.3
321.24188	33.4
322.10394	6.2
334.10712	8.8
336.12262	32.9
337.12625	6.6
453.28702	6.8
615.20654	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.9
57.07080	2.4
59.08253	1.3
63.44904	1.5
64.69115	1.5
67.05508	15.5
69.07069	12.5
71.08630	2.5
71.67643	1.4
79.05504	11.6
81.07062	21.9
83.08634	9.4
91.05492	4.0
93.07039	13.5
95.08611	18.5
97.10155	3.5
101.90974	1.5
105.07049	8.0
105.23816	1.6
107.08608	10.4
109.10183	10.2
119.08582	13.7
121.10194	9.6
123.11739	3.3
131.08588	3.4
133.10150	10.0
135.11722	7.3
143.08591	1.8
145.10147	9.7
147.11777	2.2
149.13258	2.6
159.11737	6.3
161.13304	3.5
163.14873	2.5
171.11569	2.9
175.14769	2.4
187.14854	2.7
201.16484	2.9
305.01334	1.6
318.52304	1.8
320.09402	7.7
321.09644	8.8
384.02792	1.5
503.70404	1.7
597.48956	3.0
615.35492	3.1
615.49872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88093	3.0
67.05508	14.1
69.07082	6.0
71.51431	2.7
79.05511	5.8
81.07068	16.9
83.08624	5.8
87.40151	3.2
91.05484	4.8
93.07037	6.1
95.08598	16.1
105.07040	15.0
107.08616	17.4
109.10175	7.2
117.54214	3.0
119.08554	7.5
121.10146	11.6
131.08583	5.8
133.10057	4.5
135.11700	5.8
145.10165	7.8
147.11758	4.8
156.76190	3.0
159.11559	3.2
161.13190	5.8
175.14809	3.5
216.67838	3.2
220.59067	3.4
297.94510	3.3
320.09109	14.6
321.09476	13.1
375.63223	3.7
615.34180	6.9
615.49042	100.0
635.96936	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65361	3.0
54.96987	2.6
55.71443	2.5
67.05517	7.0
69.07066	4.2
79.05486	4.0
81.07059	20.3
83.08597	5.1
91.05476	3.6
92.21480	3.3
93.07038	6.6
95.08591	15.5
97.10146	3.3
105.07009	4.9
107.08587	4.9
109.10144	4.0
119.08566	7.9
131.08629	4.9
133.10042	3.7
135.11711	5.2
145.10132	4.2
147.11646	4.2
161.13329	3.5
216.35318	3.5
224.00807	3.4
267.05450	3.3
268.89151	3.2
268.92520	3.4
290.26801	3.6
334.10898	6.3
335.11163	6.3
418.74307	3.9
597.48370	5.8
609.05139	3.6
615.35144	11.7
615.49744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.9
55.41511	2.6
67.05507	15.8
67.64091	2.7
69.07069	16.7
79.05505	7.2
81.07063	34.7
83.08611	4.4
84.67278	2.7
91.05477	4.4
93.07043	23.8
95.08605	22.9
97.10161	3.9
105.07020	5.8
107.08600	18.0
109.10139	7.2
119.08564	14.7
121.10163	7.1
131.08572	4.9
133.10095	3.5
135.11732	5.5
145.10126	12.2
147.11696	6.0
149.13277	4.8
159.11574	3.5
161.13228	4.8
162.28079	3.3
163.14828	3.2
175.14937	5.5
187.14783	5.4
320.09244	6.5
321.09460	4.0
334.10605	15.9
335.11066	16.8
377.18710	3.6
533.78723	3.4
578.50598	3.1
597.47784	4.0
615.35248	38.7
615.49573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04997	0.9
57.07032	0.5
60.04464	23.0
60.04799	2.6
63.62076	0.5
64.26495	0.4
69.07027	0.6
81.07005	0.9
85.10106	0.6
88.07555	0.6
93.06983	0.6
93.52174	0.5
95.08537	1.2
97.10094	0.6
103.58571	0.5
121.10064	0.5
160.05911	0.6
174.59644	0.5
188.43965	0.5
242.24629	0.7
246.21902	0.5
256.26373	0.6
264.26767	0.7
270.27856	1.8
282.27869	6.5
290.26822	1.0
292.09537	2.4
293.09943	1.8
300.28894	4.0
308.12659	1.1
309.13171	0.9
318.30008	29.5
318.33722	1.1
320.09235	9.4
321.09650	12.2
322.10300	6.9
336.12299	85.6
337.12628	100.0
615.35162	52.1
615.50214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59249	0.7
56.05029	1.6
56.62019	0.9
57.72898	0.9
60.04532	51.7
67.05498	1.4
69.07076	1.6
71.08646	1.0
72.17612	0.9
74.17049	0.8
79.05493	1.2
79.12865	0.8
81.07074	4.1
83.08609	1.7
88.07622	2.1
93.07044	1.1
95.08604	1.0
97.10183	1.7
109.10159	1.2
171.20656	1.1
242.24751	5.1
244.47823	0.9
252.26744	1.9
256.26346	3.7
264.26849	2.0
270.27972	1.8
282.27948	12.1
290.26938	6.1
293.09976	1.2
300.29025	5.9
309.13220	1.0
309.33896	1.0
318.30020	67.5
320.09155	16.1
321.09735	16.6
322.10294	5.5
336.12296	87.4
337.12619	100.0
585.60413	1.0
615.34503	53.6
615.48743	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32247	0.3
56.02300	0.3
70.33294	0.3
75.04813	0.3
92.21499	0.6
97.21513	0.4
97.96156	0.4
98.62897	0.3
98.94724	0.3
271.87137	0.4
285.17297	0.4
319.08380	2.5
324.08688	1.5
334.10690	6.3
335.07797	3.1
338.06564	24.3
352.08060	1.5
353.08923	100.0
368.11270	88.2
376.57535	0.4
572.17725	2.0
616.16638	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
55.28430	0.7
57.03440	2.9
57.07084	11.7
67.05510	1.6
69.07063	0.9
71.08334	0.7
71.08640	11.1
81.07053	3.6
82.05980	0.7
83.08621	3.9
85.10187	7.0
94.49767	0.9
95.08594	6.6
97.10142	1.7
109.10163	3.7
122.06029	3.7
123.11694	0.9
125.21685	0.8
152.07117	0.8
169.42509	0.7
188.09175	4.1
201.57634	0.7
220.03749	8.7
239.23851	1.0
257.24664	0.8
268.05722	1.0
286.06778	4.1
292.09665	1.5
304.07809	5.7
307.08157	2.6
308.09100	0.8
313.27335	25.2
319.08102	1.0
320.09177	96.8
321.09506	22.3
322.10596	28.0
334.10883	1.1
336.12259	1.4
340.11758	1.5
423.21106	0.9
497.14297	1.2
498.14978	30.1
532.30389	4.1
543.14771	1.1
557.16339	100.0
562.30658	1.1
598.32892	1.7
616.17334	85.2
616.32550	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.2
57.17169	1.1
65.89469	1.2
67.11646	1.3
71.52655	1.4
74.06097	1.5
78.21158	1.1
81.32833	1.2
122.08105	3.1
140.06908	1.3
242.24776	15.8
272.25818	1.5
290.26889	62.2
294.11212	1.6
307.08243	1.5
308.09027	1.4
320.09174	72.0
321.09518	22.9
322.10678	25.9
334.10730	5.4
336.12250	7.3
498.15033	32.3
557.16345	100.0
569.11993	1.5
615.82104	1.8
616.17352	87.4
616.32178	43.6
616.47217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24969	0.5
56.73847	0.5
66.54833	0.6
67.95567	0.6
85.02924	1.0
122.36791	0.6
172.67395	0.8
277.07416	0.8
290.08084	2.5
304.06119	1.4
318.07700	2.9
319.08246	4.6
320.09180	3.9
334.10602	10.9
335.11044	0.8
336.12094	1.3
346.06931	1.2
347.30670	0.7
360.08740	3.5
380.09161	1.0
382.10733	6.7
383.11554	4.0
409.09201	0.8
410.10233	9.4
411.10764	5.1
421.09424	0.8
424.12033	4.7
426.13358	7.0
438.09851	7.3
439.10474	6.7
454.12820	100.0
616.18054	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31931	0.2
50.70021	0.2
55.57166	0.3
61.51162	0.2
99.04411	1.3
167.07010	0.6
245.58002	0.3
290.08081	11.7
302.08078	4.2
304.06012	11.7
318.07578	16.5
319.08365	58.6
320.09070	1.1
334.10709	100.0
336.12317	0.4
338.06558	0.5
353.08899	5.1
368.11420	3.4
395.70078	0.4
402.16208	0.5
589.21997	0.3
616.18066	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70336	0.3
59.47626	0.3
76.36954	0.4
133.15588	0.4
261.77438	0.4
276.06473	0.5
289.81134	0.4
290.04974	0.7
290.08105	13.4
302.08145	3.5
304.06024	13.5
308.09128	0.7
310.10922	0.4
318.07587	18.9
319.08380	61.1
320.09106	1.4
334.10712	100.0
338.10141	0.6
353.08865	1.5
368.11200	1.9
499.20126	0.4
528.78009	0.4
616.18158	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15129	0.3
89.76064	0.3
91.05482	2.2
99.04432	0.5
119.04884	1.3
137.05977	26.9
156.71698	0.3
164.07008	0.5
177.05394	0.5
177.07840	3.0
178.08620	15.2
178.67996	0.3
192.06454	1.3
193.04926	0.3
194.57607	0.3
217.08493	0.3
233.08026	4.9
256.09634	1.6
277.06949	2.0
301.64328	0.3
318.09689	4.6
332.27292	0.3
337.09399	0.5
338.10315	0.6
349.12952	0.7
350.13757	1.7
352.11981	2.1
356.11185	0.6
362.13824	1.5
364.11673	2.3
364.15594	1.0
372.12241	5.3
375.10855	0.3
390.13354	9.3
408.14383	11.1
409.53378	0.3
434.36084	0.3
436.13858	7.1
452.13361	2.7
454.14948	100.0
516.66638	0.3
556.47217	0.3
616.20233	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	0.5
82.04182	0.4
84.17841	0.4
88.06467	0.4
91.05452	2.8
103.76723	0.4
106.94386	0.4
113.60941	0.4
119.04929	0.8
137.05978	24.8
145.02895	0.7
164.07031	0.8
176.07086	0.6
177.05458	4.2
177.07787	1.8
178.08621	16.2
187.12238	0.5
192.06451	0.6
194.08089	0.9
233.08049	5.9
237.49379	0.5
256.09592	0.8
277.07092	2.3
318.09711	3.8
346.10721	0.6
349.13113	0.6
350.13763	1.5
356.11261	0.7
362.13873	1.1
364.11746	3.1
364.15701	0.6
372.12244	5.1
378.52655	0.4
390.13318	8.9
408.14380	13.1
436.13806	7.4
452.13342	2.6
454.14951	100.0
602.50879	0.5
616.20221	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15129	0.3
89.76064	0.3
91.05482	2.2
99.04432	0.5
119.04884	1.3
137.05977	26.9
156.71698	0.3
164.07008	0.5
177.05394	0.5
177.07840	3.0
178.08620	15.2
178.67996	0.3
192.06454	1.3
193.04926	0.3
194.57607	0.3
217.08493	0.3
233.08026	4.9
256.09634	1.6
277.06949	2.0
301.64328	0.3
318.09689	4.6
332.27292	0.3
337.09399	0.5
338.10315	0.6
349.12952	0.7
350.13757	1.7
352.11981	2.1
356.11185	0.6
362.13824	1.5
364.11673	2.3
364.15594	1.0
372.12241	5.3
375.10855	0.3
390.13354	9.3
408.14383	11.1
409.53378	0.3
434.36084	0.3
436.13858	7.1
452.13361	2.7
454.14948	100.0
516.66638	0.3
556.47217	0.3
616.20233	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74677	0.6
60.72102	0.7
65.01163	0.8
70.06609	1.5
84.08145	1.8
86.06123	0.7
86.09698	1.3
91.05466	1.0
119.04892	0.8
131.51883	0.8
137.05978	22.1
137.07039	0.7
145.02899	1.4
147.04411	0.8
148.07468	0.7
171.64479	0.7
177.05548	5.7
177.07964	1.1
178.08633	13.5
192.06554	1.0
207.06770	1.2
233.08087	4.1
242.51486	0.8
277.07208	0.9
277.61877	0.7
318.09653	3.4
350.13943	1.3
356.11227	1.3
364.11792	1.2
372.12350	4.6
390.13449	10.5
408.14517	11.1
436.14114	6.1
452.13373	2.9
454.14999	100.0
616.20258	81.9
618.42621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61000	0.1
58.02618	0.1
58.06596	0.1
61.53542	0.1
67.49287	0.1
69.03409	0.1
70.06581	0.2
71.24223	0.1
85.02898	0.2
99.04448	0.7
103.14311	0.1
109.02868	0.2
121.06496	0.2
127.03921	0.2
136.07547	0.2
137.05959	0.5
147.04482	0.1
159.29739	0.1
163.03900	0.5
164.07065	0.1
175.89308	0.1
177.05414	0.2
177.07837	0.4
178.08624	0.1
214.08690	0.1
265.79944	0.1
295.62772	0.1
331.12268	0.1
333.13400	0.1
346.10715	0.5
348.12238	0.6
349.09232	0.2
349.13162	1.0
350.10257	0.3
350.13882	7.5
362.10089	0.6
362.14035	1.2
363.10910	0.4
364.11627	1.3
364.15677	0.4
372.12299	5.0
375.11151	0.4
376.11755	0.2
377.12543	0.2
380.11191	0.2
381.12103	0.7
390.13312	6.3
393.12296	0.2
394.12735	0.5
395.13693	0.2
408.14401	7.5
410.15866	0.6
426.15649	0.2
436.13940	2.7
453.13995	0.2
454.14957	100.0
616.20154	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15129	0.3
89.76064	0.3
91.05482	2.2
99.04432	0.5
119.04884	1.3
137.05977	26.9
156.71698	0.3
164.07008	0.5
177.05394	0.5
177.07840	3.0
178.08620	15.2
178.67996	0.3
192.06454	1.3
193.04926	0.3
194.57607	0.3
217.08493	0.3
233.08026	4.9
256.09634	1.6
277.06949	2.0
301.64328	0.3
318.09689	4.6
332.27292	0.3
337.09399	0.5
338.10315	0.6
349.12952	0.7
350.13757	1.7
352.11981	2.1
356.11185	0.6
362.13824	1.5
364.11673	2.3
364.15594	1.0
372.12241	5.3
375.10855	0.3
390.13354	9.3
408.14383	11.1
409.53378	0.3
434.36084	0.3
436.13858	7.1
452.13361	2.7
454.14948	100.0
516.66638	0.3
556.47217	0.3
616.20233	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.202
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54692	0.3
69.03517	0.4
70.06630	0.4
71.04587	0.3
99.04537	1.5
113.13580	0.4
137.06117	0.6
147.04375	2.8
148.04854	0.7
163.04059	2.2
236.12761	0.4
337.75119	0.4
346.10822	0.5
349.09485	0.5
349.13385	1.6
350.13760	5.2
362.13815	2.8
364.11893	3.2
364.15903	0.7
372.12271	12.5
372.16748	0.5
375.11243	0.8
381.12305	0.5
390.13312	14.4
390.18045	0.7
408.14423	24.1
408.19806	0.8
436.13947	7.7
453.13882	0.6
454.14932	100.0
503.75607	0.4
616.19958	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22628	0.7
56.26933	0.7
58.06590	0.7
70.06588	0.9
71.55979	0.7
78.48487	1.0
83.91457	0.7
86.09702	1.2
91.05470	1.2
119.04961	1.1
120.04433	0.8
122.43311	0.9
131.76831	0.9
137.05986	27.8
152.22707	0.7
164.07097	0.9
175.03819	0.9
177.05446	3.7
177.07872	3.4
178.08623	17.7
207.06587	1.2
222.62029	0.9
233.08099	6.2
250.47043	1.0
277.07285	1.2
318.09778	3.2
337.09692	0.9
338.10519	0.9
350.13773	1.2
352.11679	7.0
364.11813	4.0
372.12088	5.5
390.13342	11.2
408.14529	12.6
436.13806	7.2
452.13379	3.7
454.14944	100.0
616.20209	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
74.16425	0.3
85.02921	0.3
108.12479	0.4
131.65204	0.3
133.62950	0.4
147.04422	0.7
151.00333	0.4
164.07068	0.5
165.65350	0.3
281.42297	0.4
321.97293	0.4
331.11960	0.4
333.13586	0.4
346.10706	1.8
349.09332	0.5
349.13232	1.5
350.13928	3.8
360.86050	0.4
362.13882	4.3
363.11026	0.5
364.11807	6.6
364.15604	1.3
372.12302	16.7
375.11142	1.4
377.12500	0.7
390.13367	26.1
393.12366	1.3
408.14420	37.1
436.13947	13.7
453.13754	0.5
454.14981	100.0
538.40912	0.4
616.20197	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96595	0.2
56.94127	0.2
70.06579	0.5
86.09674	0.3
88.55505	0.2
91.29890	0.2
111.35371	0.2
128.18030	0.3
133.75659	0.2
142.55278	0.3
149.05933	0.4
167.06996	1.7
188.07094	0.7
189.07671	0.3
191.42607	0.3
292.09723	7.4
294.07706	0.3
304.09671	1.5
306.07693	2.3
308.09003	0.5
311.09033	0.3
320.09128	7.0
321.09952	29.1
322.10590	1.8
323.11044	1.0
324.12201	1.3
336.12286	100.0
337.09647	0.7
337.12875	3.4
338.10013	0.9
338.13663	4.7
352.11688	3.3
352.15463	4.5
356.14914	0.4
364.36844	0.4
374.14005	0.4
376.11716	0.3
377.12411	0.4
392.14780	2.2
436.13754	1.7
454.14893	0.4
616.23816	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96595	0.2
56.94127	0.2
70.06579	0.5
86.09674	0.3
88.55505	0.2
91.29890	0.2
111.35371	0.2
128.18030	0.3
133.75659	0.2
142.55278	0.3
149.05933	0.4
167.06996	1.7
188.07094	0.7
189.07671	0.3
191.42607	0.3
292.09723	7.4
294.07706	0.3
304.09671	1.5
306.07693	2.3
308.09003	0.5
311.09033	0.3
320.09128	7.0
321.09952	29.1
322.10590	1.8
323.11044	1.0
324.12201	1.3
336.12286	100.0
337.09647	0.7
337.12875	3.4
338.10013	0.9
338.13663	4.7
352.11688	3.3
352.15463	4.5
356.14914	0.4
364.36844	0.4
374.14005	0.4
376.11716	0.3
377.12411	0.4
392.14780	2.2
436.13754	1.7
454.14893	0.4
616.23816	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06584	0.9
73.04460	0.4
74.73829	0.5
75.57720	0.6
81.03390	0.7
84.37619	0.6
85.02921	0.6
97.02929	0.6
103.21093	0.6
107.04948	5.0
107.76926	0.6
122.64440	0.6
124.05177	0.9
131.08566	1.4
133.06477	0.7
141.06952	0.5
159.08044	5.2
161.05962	2.4
167.07025	100.0
167.22264	0.6
173.06012	0.8
187.07492	8.7
201.95403	0.5
204.11679	0.6
205.08621	2.1
215.07051	2.8
217.08551	8.4
218.49031	0.6
219.10181	3.2
219.44231	0.6
247.07343	0.7
247.09633	11.4
263.10614	2.6
265.10812	4.9
291.10080	2.1
307.09485	0.7
319.09625	1.0
320.09113	1.0
321.10141	0.8
322.10641	2.6
323.12531	3.1
324.12314	0.9
336.12234	3.6
338.14035	4.3
351.12097	1.3
356.14749	0.6
370.09235	0.8
371.14856	3.5
383.14777	4.9
401.15894	14.4
419.16895	9.1
454.14383	5.1
616.21881	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
58.06605	3.6
59.53903	1.7
66.64059	1.6
67.59487	1.6
69.03406	2.6
70.06599	4.0
85.02898	2.3
99.04475	2.3
107.04955	11.2
130.15221	2.0
145.06514	3.0
146.31340	1.9
149.06020	3.3
159.08026	4.4
161.05948	3.8
163.07518	1.9
167.07031	100.0
173.05949	4.4
175.07475	2.1
175.66508	2.1
177.05447	10.4
177.11514	2.3
181.04988	10.7
185.61061	2.1
187.07556	13.5
205.08591	9.2
215.07004	3.3
217.08585	44.6
219.10085	3.5
235.09607	3.4
247.07440	3.3
247.09575	16.8
263.10718	2.8
265.10645	17.6
276.07883	2.5
279.10187	3.2
283.11719	11.2
291.10114	2.6
292.09702	2.5
307.08752	3.5
308.09131	4.3
315.08429	3.1
320.09152	7.6
321.09756	8.7
322.10641	12.4
323.11511	11.3
324.12320	2.4
330.10843	3.3
336.09143	3.6
336.12442	33.9
337.09457	10.1
337.12900	2.8
338.13641	26.3
351.11932	3.3
352.11755	38.1
356.14706	9.9
368.12372	11.2
371.14874	4.2
383.14862	27.8
401.15967	38.1
419.17032	14.2
437.17984	8.6
454.16519	8.2
616.23853	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06584	0.9
73.04460	0.4
74.73829	0.5
75.57720	0.6
81.03390	0.7
84.37619	0.6
85.02921	0.6
97.02929	0.6
103.21093	0.6
107.04948	5.0
107.76926	0.6
122.64440	0.6
124.05177	0.9
131.08566	1.4
133.06477	0.7
141.06952	0.5
159.08044	5.2
161.05962	2.4
167.07025	100.0
167.22264	0.6
173.06012	0.8
187.07492	8.7
201.95403	0.5
204.11679	0.6
205.08621	2.1
215.07051	2.8
217.08551	8.4
218.49031	0.6
219.10181	3.2
219.44231	0.6
247.07343	0.7
247.09633	11.4
263.10614	2.6
265.10812	4.9
291.10080	2.1
307.09485	0.7
319.09625	1.0
320.09113	1.0
321.10141	0.8
322.10641	2.6
323.12531	3.1
324.12314	0.9
336.12234	3.6
338.14035	4.3
351.12097	1.3
356.14749	0.6
370.09235	0.8
371.14856	3.5
383.14777	4.9
401.15894	14.4
419.16895	9.1
454.14383	5.1
616.21881	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.6
60.27431	1.5
61.37154	1.8
69.82260	1.7
70.02962	9.9
70.06586	17.6
72.08156	52.6
74.06082	13.9
84.04515	15.9
87.05595	10.2
95.15031	1.6
97.62225	1.7
102.05544	31.6
103.13960	2.0
115.38868	1.7
116.07093	26.9
118.26476	1.5
120.08085	3.0
124.07577	2.9
127.05051	2.6
129.06630	7.4
129.10278	8.7
141.06601	3.3
141.10245	15.5
157.09700	23.2
159.07680	12.2
167.08147	6.8
169.06094	2.8
169.09717	17.0
169.13385	3.9
171.07675	11.7
181.06155	2.0
181.09804	2.4
185.09264	6.8
186.12468	8.5
187.07146	24.1
195.07672	19.6
196.06038	28.0
198.08766	4.2
209.09172	24.8
213.08658	20.2
213.12341	2.1
216.09853	14.7
230.11452	9.5
231.09735	2.5
235.07155	3.5
238.11818	2.3
244.09258	2.4
252.09715	2.1
258.50497	1.9
264.09766	2.4
270.10956	16.5
286.14166	2.8
288.11850	4.4
331.16281	3.9
456.20743	2.8
473.23700	3.8
483.22168	7.7
484.20444	15.3
501.22995	39.9
599.26556	11.0
616.21887	3.6
616.29407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.05035	0.2
57.07047	0.9
71.08598	0.3
83.08562	0.3
85.10150	0.3
86.05992	0.2
95.08581	0.4
106.06560	0.2
109.10176	0.2
109.69417	0.2
122.06078	1.8
140.07025	0.9
152.06978	0.3
188.09209	1.7
218.35381	0.3
292.09677	2.4
301.20132	0.2
313.27274	3.2
318.07532	0.2
319.21075	1.5
319.24371	0.3
320.09177	100.0
320.21298	1.9
321.09775	0.3
322.10510	0.4
323.11572	0.3
337.22263	0.4
338.22464	1.4
366.52271	0.2
430.20026	0.3
514.29401	0.4
519.06616	0.3
532.30273	2.3
562.31659	0.4
580.32916	0.4
580.42810	0.9
598.33557	0.5
598.44586	0.4
616.32709	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65967	0.2
63.70331	0.3
88.02499	0.2
105.83458	0.3
119.07467	0.2
223.36635	0.2
292.09698	3.8
306.07690	0.4
312.42078	0.2
312.46112	0.3
320.09164	100.0
321.09940	7.4
322.10974	0.3
336.12280	27.7
550.72961	0.3
556.91150	0.3
587.26050	0.3
616.32532	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19225	0.2
59.71463	0.2
84.30909	0.2
92.21490	0.4
112.66124	0.3
113.48415	0.2
180.35867	0.3
184.27609	0.3
292.09552	2.6
294.11115	0.4
306.07593	0.3
313.26971	0.4
318.07376	0.4
320.09152	100.0
321.09534	2.2
322.10678	2.6
334.11041	0.6
338.13763	1.2
512.86462	0.3
532.30396	0.5
565.27185	0.3
579.56122	0.3
616.32611	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11213	0.4
53.02904	0.5
56.66041	0.4
72.69678	0.5
77.97006	0.3
78.38894	0.4
95.85207	0.5
107.71661	0.4
230.24779	4.8
292.09763	3.2
320.09174	100.0
322.10699	2.3
361.68793	0.5
465.28174	0.5
533.99817	0.5
616.32697	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91529	0.2
55.98845	0.2
58.50959	0.2
65.04722	0.2
65.97339	0.2
72.87534	0.2
79.64992	0.2
84.91365	0.2
90.76829	0.2
253.77228	0.2
292.09659	3.2
306.07773	0.3
318.07742	0.4
320.09180	100.0
321.09946	6.3
336.12289	21.5
337.12146	0.2
430.20041	0.4
591.44128	0.2
616.32562	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
74.49391	0.5
92.20920	0.6
94.87186	0.5
143.61560	0.5
158.63725	0.6
271.50546	0.5
292.09711	9.0
304.09592	1.2
306.07584	1.9
313.91922	0.5
320.09177	66.2
321.09961	29.4
321.12958	0.9
323.11029	0.5
336.12299	100.0
338.13840	0.9
519.29443	0.5
616.36084	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94806	1.1
67.05525	1.5
69.07069	1.8
81.07074	2.2
93.07071	2.0
95.08589	1.5
106.08059	1.3
113.39718	1.5
124.44248	1.2
133.19536	1.3
172.03900	1.8
190.04991	100.0
218.04459	14.3
247.47449	1.4
320.09018	2.4
336.12170	1.8
354.09683	33.4
412.64761	1.6
475.40710	1.4
560.90503	1.5
616.32635	15.4
616.46808	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84116	0.4
68.11890	0.5
77.02480	0.4
98.83893	0.5
111.05118	0.5
115.31110	0.5
118.76098	0.5
169.34685	0.5
261.24420	0.6
262.23734	0.6
292.09705	2.5
320.09158	100.0
322.10596	2.3
616.32983	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14505	0.2
58.89986	0.2
60.04552	0.4
62.68052	0.2
99.18752	0.3
111.62630	0.3
134.41660	0.3
180.52664	0.3
292.09756	1.7
294.11252	1.7
308.09116	1.2
320.09167	100.0
322.10764	2.7
323.11505	8.8
336.12335	0.6
337.12650	0.6
338.13837	21.9
546.71204	0.3
616.32556	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
56.05040	2.2
56.49681	1.1
57.03441	14.0
57.07082	43.4
67.05513	11.4
69.03408	1.5
69.07051	9.7
71.08231	1.4
71.08633	37.8
79.05518	1.3
81.07054	15.0
83.08628	15.0
85.10180	26.0
89.06021	5.5
95.08607	26.0
97.10161	9.1
99.11755	1.3
103.07603	2.1
106.06539	1.7
109.10135	15.8
122.06017	11.3
123.11707	3.4
134.05984	1.9
152.07050	2.2
154.02631	2.6
188.05313	1.4
188.07629	1.3
188.09120	13.4
220.03719	38.1
239.23666	2.8
257.24719	6.9
268.05798	6.5
286.06870	11.9
298.48923	2.0
304.07901	20.1
306.07574	1.7
313.27353	100.0
320.09201	27.6
321.09491	10.2
322.10217	3.4
336.12158	2.2
340.12006	2.5
480.18213	1.6
481.19269	1.8
532.30426	17.2
580.32391	9.1
598.33246	7.2
616.23120	4.3
616.32794	33.2
636.42395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.9
56.05043	6.4
57.03449	2.8
57.07084	28.0
67.05512	6.9
69.07086	4.2
71.08634	22.7
76.85141	1.4
79.05498	3.1
80.05028	1.9
81.03422	1.6
81.07065	13.2
83.08618	11.6
85.02915	2.1
85.10188	16.5
86.06062	9.1
90.06144	1.5
91.05489	3.3
92.21352	2.0
94.06545	2.4
95.04981	6.2
95.08594	14.3
97.10186	3.8
106.06539	11.3
109.10150	3.4
110.06040	2.2
122.06027	54.8
123.11710	3.4
124.07616	2.2
128.85497	2.1
131.23206	2.0
134.06042	8.0
140.07065	27.1
149.83655	1.7
152.07089	11.2
167.97112	1.9
170.08107	9.6
175.97252	1.9
188.09174	56.3
206.10219	7.1
217.36160	1.7
220.03650	13.0
227.52644	2.1
228.21213	1.8
239.23648	3.4
276.06223	7.1
313.27377	100.0
313.99362	1.8
320.09174	72.2
321.09570	8.1
322.10431	8.8
514.29529	13.3
532.30371	89.4
562.31464	7.6
580.32373	21.9
598.33789	24.8
616.33679	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71790	0.4
66.56654	0.3
73.67194	0.3
74.75649	0.4
108.66882	0.4
109.23510	0.4
140.44048	0.4
159.26266	0.4
167.17851	0.4
222.35973	0.4
240.52856	0.4
242.24677	0.5
292.09360	0.8
294.11200	8.9
306.11188	1.8
308.09222	3.9
320.09155	18.7
321.09619	1.9
322.10651	10.2
323.11475	35.2
336.12268	3.3
337.12552	6.7
338.13812	100.0
497.06036	0.4
616.36371	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49783	0.3
60.03714	0.3
64.64571	0.3
87.76463	0.3
92.21215	0.8
93.94019	0.3
147.00256	0.3
169.81830	0.3
193.16368	0.4
199.08563	0.4
292.09662	7.0
295.15302	0.4
304.09653	0.4
306.07697	0.8
320.09174	100.0
321.09949	19.3
336.12289	63.8
506.84006	0.4
616.32971	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.363
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95673	0.4
87.05357	0.5
107.08493	0.5
109.10026	0.5
176.06970	0.6
188.88956	0.4
227.57776	0.5
249.02118	0.4
255.33656	0.4
281.58618	0.5
292.09641	2.3
293.09586	0.5
294.11246	8.9
306.11191	0.9
308.09033	3.3
308.29373	0.5
318.07736	0.7
320.09167	96.2
321.09814	1.0
322.10687	15.1
323.11496	37.2
336.12238	4.0
337.12427	3.8
338.13837	100.0
616.35114	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40450	0.3
55.59989	0.3
81.06980	0.5
109.10129	0.4
140.47057	0.4
143.97571	0.3
147.37767	0.4
224.97986	0.3
292.09677	8.2
304.09583	0.8
306.07660	2.5
307.08075	0.4
320.09143	11.3
321.09940	29.7
322.10629	0.5
335.11401	0.5
336.12283	100.0
338.13815	0.7
340.11722	2.1
348.11560	0.4
393.10248	0.4
616.36377	34.2
616.49396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.05506	3.2
57.07073	3.9
59.66324	2.1
62.78552	2.1
63.46007	2.0
65.76417	2.0
67.05504	12.0
69.03426	3.9
69.07066	11.7
73.02918	25.5
81.03410	19.8
81.07051	14.1
83.08612	9.6
85.02891	2.9
93.07030	4.2
95.08591	9.4
97.02872	17.1
97.10174	4.1
99.04462	100.0
105.57484	2.3
107.08592	3.3
109.02867	9.5
109.10152	4.3
121.10135	12.8
123.11732	3.1
127.03932	13.3
130.40700	2.1
135.11719	3.4
145.04916	2.6
147.08054	2.7
216.70639	2.7
243.08620	21.5
319.08414	3.0
320.09122	15.7
321.09717	12.8
322.10031	10.2
323.11047	2.4
334.10547	20.6
336.12140	29.9
338.13754	5.0
345.24127	9.8
363.25235	9.8
405.68649	2.6
443.27820	4.3
461.28964	18.7
479.29810	17.6
616.35114	16.5
616.50159	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85493	0.4
56.03683	0.4
56.05037	3.4
57.07069	1.6
58.06600	3.0
68.05032	0.4
71.08634	0.9
74.06084	4.9
86.06062	1.0
88.07627	2.4
100.97163	0.4
104.07131	0.4
105.42914	0.4
109.10136	0.5
109.47329	0.4
118.08636	2.1
122.08148	5.5
140.10701	2.3
152.03662	0.4
154.12283	3.2
157.13356	0.8
168.13837	0.5
171.14931	1.8
242.24768	26.0
272.25845	1.0
290.26880	100.0
292.09656	1.0
319.08261	0.4
320.09143	10.0
321.09485	5.2
322.10684	4.9
334.10660	0.6
336.12375	0.7
369.09875	0.4
418.52075	0.5
616.32507	7.9
616.48187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91737	0.3
54.63902	0.4
56.04970	1.9
56.05204	0.4
57.07026	0.6
58.06532	2.4
59.20075	0.4
71.08577	0.8
74.05988	4.0
74.45972	0.4
86.06023	0.8
88.07539	2.4
114.19739	0.4
118.08527	1.8
119.68504	0.4
122.08123	7.2
134.10391	0.4
140.10588	2.2
153.52202	0.5
154.12282	4.4
157.13306	1.8
171.14842	1.9
195.21985	0.4
198.86496	0.4
228.23047	0.6
242.24756	25.9
272.25653	0.6
290.26877	100.0
292.09579	1.0
307.08331	3.1
320.09155	37.6
321.05661	0.5
321.09491	15.7
322.10635	29.3
323.10065	3.7
327.22974	1.5
336.12283	1.6
337.25626	0.4
421.70779	0.5
426.71909	0.5
616.33057	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85493	0.4
56.03683	0.4
56.05037	3.4
57.07069	1.6
58.06600	3.0
68.05032	0.4
71.08634	0.9
74.06084	4.9
86.06062	1.0
88.07627	2.4
100.97163	0.4
104.07131	0.4
105.42914	0.4
109.10136	0.5
109.47329	0.4
118.08636	2.1
122.08148	5.5
140.10701	2.3
152.03662	0.4
154.12283	3.2
157.13356	0.8
168.13837	0.5
171.14931	1.8
242.24768	26.0
272.25845	1.0
290.26880	100.0
292.09656	1.0
319.08261	0.4
320.09143	10.0
321.09485	5.2
322.10684	4.9
334.10660	0.6
336.12375	0.7
369.09875	0.4
418.52075	0.5
616.32507	7.9
616.48187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.169
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32348	2.8
91.94994	2.8
187.81564	3.1
197.06094	3.2
212.85358	3.6
341.88647	3.7
372.55276	3.1
377.52393	3.2
424.97049	6.5
617.16913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86108	0.4
58.01891	0.5
92.20870	0.6
95.04802	0.5
107.59485	0.4
133.89333	0.5
189.81979	0.5
221.27621	0.4
276.06500	0.8
290.08105	9.4
302.08142	3.8
304.06055	9.9
311.49347	0.5
318.07602	12.5
319.08371	58.2
320.09003	2.2
334.10721	100.0
335.11020	0.9
359.36844	0.5
364.78558	0.5
537.20105	0.6
617.22882	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.8
57.25384	1.0
84.96030	2.7
90.93407	1.1
96.08871	1.2
98.97601	5.3
112.99229	1.2
116.98684	1.6
121.10159	1.4
124.99154	1.7
143.00192	7.1
144.98122	5.8
158.99661	2.1
161.01292	8.0
161.95894	1.3
162.99150	2.8
173.01251	1.7
182.99677	4.9
198.95897	1.3
201.00725	12.6
219.01825	1.9
219.05978	1.4
224.97485	1.8
227.70337	1.3
240.96945	6.2
242.98434	4.1
246.95879	1.9
254.98674	1.6
264.96811	12.8
282.97940	26.1
283.00726	1.6
300.79587	1.2
300.99017	13.8
307.08072	1.2
317.17868	35.1
320.09164	19.7
321.09521	18.2
322.09937	1.4
335.18930	12.0
358.20715	1.6
375.02771	1.6
545.81329	1.2
617.23065	100.0
617.32776	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.8
57.25384	1.0
84.96030	2.7
90.93407	1.1
96.08871	1.2
98.97601	5.3
112.99229	1.2
116.98684	1.6
121.10159	1.4
124.99154	1.7
143.00192	7.1
144.98122	5.8
158.99661	2.1
161.01292	8.0
161.95894	1.3
162.99150	2.8
173.01251	1.7
182.99677	4.9
198.95897	1.3
201.00725	12.6
219.01825	1.9
219.05978	1.4
224.97485	1.8
227.70337	1.3
240.96945	6.2
242.98434	4.1
246.95879	1.9
254.98674	1.6
264.96811	12.8
282.97940	26.1
283.00726	1.6
300.79587	1.2
300.99017	13.8
307.08072	1.2
317.17868	35.1
320.09164	19.7
321.09521	18.2
322.09937	1.4
335.18930	12.0
358.20715	1.6
375.02771	1.6
545.81329	1.2
617.23065	100.0
617.32776	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
63.43074	0.7
67.05514	10.8
69.07066	1.9
73.08587	0.9
77.33080	1.0
79.05510	7.1
81.07063	9.2
91.05476	1.8
92.20970	1.1
93.07052	6.1
95.08619	10.9
105.07041	1.9
107.08569	4.4
109.10168	4.3
119.08556	2.2
120.96655	1.8
121.10143	4.2
135.11732	1.4
161.13406	0.9
176.99251	8.8
195.00349	1.9
198.98564	1.4
203.05247	5.8
213.00006	1.1
255.69342	0.9
265.00854	6.3
279.51242	0.9
283.02005	8.5
292.09717	1.0
301.01645	4.7
301.20175	1.6
320.09177	61.8
321.09500	56.8
321.13358	1.5
322.10333	1.3
335.25891	2.1
336.12430	1.3
375.25024	1.3
437.20743	11.3
455.21210	1.5
545.02753	1.1
599.25671	1.5
617.26740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94318	0.4
57.07076	2.1
60.04535	0.6
66.61691	0.4
67.05505	0.6
69.07067	1.1
70.06580	2.1
71.08633	0.8
71.48212	0.5
73.02898	0.5
74.06079	0.7
77.64854	0.5
79.05470	0.7
81.07061	2.7
85.02872	0.5
85.06564	0.8
86.46369	0.5
88.07632	13.0
93.07034	1.8
95.08603	0.8
99.04436	1.2
102.09178	2.1
104.07109	2.4
105.07005	0.7
107.08591	0.7
109.10139	0.6
119.08579	0.6
121.10149	1.8
135.11748	0.9
139.11255	0.8
144.47752	0.5
149.09712	0.5
172.37183	0.4
181.12305	0.6
207.60861	0.5
212.23869	0.9
228.23227	0.7
242.24733	6.2
256.26331	13.7
256.28983	0.6
272.25854	4.3
275.20258	0.6
290.26941	2.3
293.21149	0.8
320.09369	1.0
321.09708	2.2
322.10239	4.1
323.10413	3.6
324.10931	0.7
336.12265	7.1
337.12616	9.8
338.12933	10.2
339.12997	3.8
367.13617	1.1
480.95050	0.6
543.43628	0.7
581.48761	6.1
599.49597	0.9
617.32965	100.0
617.49664	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96025	0.7
61.48593	0.8
67.05504	0.8
69.07067	0.8
73.06480	0.7
81.07063	4.9
81.57713	0.7
83.08607	0.9
91.05461	3.6
93.07073	1.8
95.08606	7.0
96.04966	0.8
105.07009	2.0
107.08578	5.5
109.10157	3.6
119.04941	14.1
119.08579	7.2
121.10143	4.6
123.11724	1.1
125.09714	0.9
131.08588	1.6
133.10124	5.2
135.11670	3.7
145.10133	4.4
147.04410	100.0
147.11678	3.2
149.13173	1.4
159.11687	1.9
161.13271	3.5
163.03938	10.1
163.14803	3.5
164.22490	0.8
173.13200	3.5
173.20941	0.9
175.14825	1.6
177.00220	0.9
177.16345	1.4
187.14857	4.7
189.16403	3.3
196.41916	0.9
199.14838	1.9
201.16351	3.9
203.17986	1.5
213.16269	0.9
214.26396	0.8
215.17947	4.4
215.86443	0.8
229.19510	1.1
233.15205	0.9
241.19287	1.3
242.24689	1.6
247.16809	0.8
255.20987	1.7
256.26154	1.0
283.86307	1.0
290.26852	1.5
292.09750	1.9
293.09958	0.9
308.04395	1.0
320.09186	55.4
321.09497	56.7
391.33533	1.0
407.33142	1.9
408.12183	1.0
425.34174	1.5
435.32565	1.2
437.33954	7.5
453.33365	3.1
617.30621	25.3
617.38763	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
55.05517	2.9
57.07083	11.6
67.05511	2.5
69.03432	5.8
69.07059	2.1
71.04996	1.8
71.08633	12.7
72.32317	1.1
73.02925	10.1
79.05529	1.5
81.03429	16.9
81.07067	8.6
83.04990	2.5
83.08632	5.1
85.02905	6.3
85.10180	6.8
87.04489	1.5
88.07629	6.4
93.07048	1.5
95.08613	10.4
97.02903	12.6
97.03448	1.5
97.10167	1.6
99.04455	100.0
109.02895	8.7
109.10141	2.9
119.08586	1.2
122.08041	1.1
127.03893	14.9
141.05434	4.7
145.04970	2.1
149.40427	1.2
188.86548	1.1
206.79817	1.3
207.06618	1.7
219.39485	1.4
225.07581	5.8
239.23726	7.1
242.24753	4.5
243.08670	15.5
256.26379	5.1
383.28027	1.7
391.39880	1.5
481.31522	10.6
499.32687	11.5
613.46381	1.5
617.36218	1.8
617.50812	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55309	0.4
54.60760	0.4
57.07086	0.5
61.26017	0.5
61.75737	0.6
67.53920	0.4
73.48645	0.4
75.52315	0.4
75.99881	0.5
87.53200	0.5
88.07635	2.4
95.08636	0.6
101.44180	0.5
161.69795	0.6
197.79517	0.5
233.13789	0.5
242.24849	0.8
256.26392	2.7
272.26038	0.6
320.25818	0.6
336.12137	0.5
336.25095	17.7
338.26624	1.1
453.30411	0.5
454.46054	0.6
471.32568	0.5
599.51019	0.7
617.52264	100.0
625.66571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47383	0.3
60.80686	0.3
69.03429	0.5
70.06590	2.1
78.17079	0.3
85.02900	0.8
86.27062	0.4
99.26445	0.4
104.43562	0.4
112.08736	0.4
120.08014	0.5
177.05469	0.5
249.11345	0.8
281.06885	0.6
282.07565	2.4
284.09213	4.2
293.63748	0.4
294.07565	2.2
298.07217	1.7
306.07578	13.1
308.05515	0.7
309.06189	0.6
310.07074	11.9
311.07849	6.9
312.08646	3.9
326.06491	6.5
328.07959	2.9
334.10684	2.1
338.06491	0.7
348.12277	1.6
354.06076	2.4
354.13205	0.7
356.07651	10.3
358.10458	0.5
364.11691	0.8
375.83557	0.5
376.11853	3.7
394.12726	4.5
410.12360	1.7
412.13913	2.6
420.12183	0.7
426.11789	0.9
438.11859	3.9
456.12808	38.9
479.67429	0.5
530.69885	0.5
618.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47383	0.3
60.80686	0.3
69.03429	0.5
70.06590	2.1
78.17079	0.3
85.02900	0.8
86.27062	0.4
99.26445	0.4
104.43562	0.4
112.08736	0.4
120.08014	0.5
177.05469	0.5
249.11345	0.8
281.06885	0.6
282.07565	2.4
284.09213	4.2
293.63748	0.4
294.07565	2.2
298.07217	1.7
306.07578	13.1
308.05515	0.7
309.06189	0.6
310.07074	11.9
311.07849	6.9
312.08646	3.9
326.06491	6.5
328.07959	2.9
334.10684	2.1
338.06491	0.7
348.12277	1.6
354.06076	2.4
354.13205	0.7
356.07651	10.3
358.10458	0.5
364.11691	0.8
375.83557	0.5
376.11853	3.7
394.12726	4.5
410.12360	1.7
412.13913	2.6
420.12183	0.7
426.11789	0.9
438.11859	3.9
456.12808	38.9
479.67429	0.5
530.69885	0.5
618.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15754	0.3
64.59299	0.4
103.10007	0.4
109.82761	0.4
118.42339	0.4
125.37325	0.3
133.26801	0.4
219.79843	0.5
254.08258	0.7
267.42383	0.4
281.06927	0.7
282.07648	3.4
283.08292	0.7
284.09067	5.3
287.43704	0.5
294.07657	1.7
298.07187	1.6
306.07578	18.4
308.05594	0.6
308.08942	0.4
310.07089	16.1
311.07843	8.7
312.08679	3.7
314.06619	0.5
324.08701	1.6
326.06558	11.0
328.08054	4.9
334.10754	3.6
338.06720	0.6
346.10654	0.6
348.12125	1.5
354.06165	2.3
355.06915	0.7
356.07645	9.6
364.11914	0.8
364.90552	0.5
376.11789	4.4
392.11899	0.4
394.12827	6.6
410.12350	3.0
412.13928	3.6
426.11948	1.0
438.11816	4.8
456.12830	35.5
564.62793	0.4
618.18140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47379	1.2
53.83001	1.2
53.93684	1.2
54.05218	1.1
54.81794	1.1
55.84571	1.1
58.67931	1.2
58.68258	1.1
70.06586	2.2
83.62160	1.3
109.02940	1.4
121.06527	2.4
127.03935	1.5
139.52623	1.5
177.05450	1.6
193.08601	8.6
194.08156	1.7
194.53572	1.3
195.19913	1.3
209.08023	2.8
211.09596	5.6
240.32343	1.5
276.06570	8.5
276.09537	1.7
278.07971	2.9
290.08215	1.8
291.08832	15.1
292.09500	1.8
304.06073	26.8
304.09283	3.8
305.10516	2.5
306.07626	33.9
306.10989	3.1
307.08365	15.4
308.09097	1.8
319.08371	100.0
320.09171	36.4
321.09906	29.4
322.10635	41.0
323.10556	8.7
334.10745	56.4
335.11441	27.3
336.12323	19.6
337.12695	21.8
338.13025	23.3
340.15387	2.9
352.11780	99.0
352.15491	3.7
353.15457	2.4
371.08267	1.5
556.18048	10.7
600.16724	21.5
618.16541	52.2
618.25781	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47379	1.2
53.83001	1.2
53.93684	1.2
54.05218	1.1
54.81794	1.1
55.84571	1.1
58.67931	1.2
58.68258	1.1
70.06586	2.2
83.62160	1.3
109.02940	1.4
121.06527	2.4
127.03935	1.5
139.52623	1.5
177.05450	1.6
193.08601	8.6
194.08156	1.7
194.53572	1.3
195.19913	1.3
209.08023	2.8
211.09596	5.6
240.32343	1.5
276.06570	8.5
276.09537	1.7
278.07971	2.9
290.08215	1.8
291.08832	15.1
292.09500	1.8
304.06073	26.8
304.09283	3.8
305.10516	2.5
306.07626	33.9
306.10989	3.1
307.08365	15.4
308.09097	1.8
319.08371	100.0
320.09171	36.4
321.09906	29.4
322.10635	41.0
323.10556	8.7
334.10745	56.4
335.11441	27.3
336.12323	19.6
337.12695	21.8
338.13025	23.3
340.15387	2.9
352.11780	99.0
352.15491	3.7
353.15457	2.4
371.08267	1.5
556.18048	10.7
600.16724	21.5
618.16541	52.2
618.25781	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32707	0.4
64.82619	0.5
70.31438	0.5
72.53745	0.5
100.72989	0.7
110.72438	0.5
167.06989	0.6
175.01604	0.4
179.51987	0.5
292.09714	0.5
293.80563	0.5
319.08362	0.9
320.09140	9.7
321.09778	1.0
334.10794	2.5
336.12228	2.9
360.08838	1.2
376.11597	0.6
449.87402	0.6
456.14597	1.9
470.12439	3.1
483.12668	0.8
484.13986	15.5
485.14532	4.7
496.13419	2.6
498.11124	5.5
499.16470	3.7
500.17038	7.3
512.13464	13.0
513.14227	17.4
514.14850	1.0
528.16522	76.3
530.17999	1.0
572.15503	3.1
618.19653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65848	0.6
75.36621	0.8
80.99928	0.8
81.70644	0.7
81.71790	0.7
84.25854	0.7
88.49570	0.7
92.08471	0.7
93.07008	1.1
107.08610	1.1
117.95905	0.9
118.44014	0.8
130.32063	0.7
175.03777	0.8
180.40685	0.7
287.68387	0.7
319.08246	0.9
320.09079	3.4
321.09924	4.4
334.10760	2.7
336.12280	9.3
337.12732	1.8
376.11746	1.0
456.14264	1.7
467.13345	0.8
470.12213	1.5
484.13809	16.0
485.14597	5.3
496.13824	2.9
498.11285	6.8
499.16058	4.7
500.16986	9.1
512.13562	13.1
513.14093	16.2
528.16516	79.4
572.15411	3.0
618.19531	100.0
632.13959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65848	0.6
75.36621	0.8
80.99928	0.8
81.70644	0.7
81.71790	0.7
84.25854	0.7
88.49570	0.7
92.08471	0.7
93.07008	1.1
107.08610	1.1
117.95905	0.9
118.44014	0.8
130.32063	0.7
175.03777	0.8
180.40685	0.7
287.68387	0.7
319.08246	0.9
320.09079	3.4
321.09924	4.4
334.10760	2.7
336.12280	9.3
337.12732	1.8
376.11746	1.0
456.14264	1.7
467.13345	0.8
470.12213	1.5
484.13809	16.0
485.14597	5.3
496.13824	2.9
498.11285	6.8
499.16058	4.7
500.16986	9.1
512.13562	13.1
513.14093	16.2
528.16516	79.4
572.15411	3.0
618.19531	100.0
632.13959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43297	0.8
53.83513	0.6
58.06584	1.1
78.50364	0.7
81.03393	0.9
100.54279	0.7
103.32452	0.7
107.77210	0.8
113.35852	0.8
160.07550	0.8
164.07062	1.5
179.07016	0.9
207.06534	1.2
254.63638	0.8
264.06604	0.8
264.10098	1.3
266.07962	1.0
279.09009	6.2
290.08069	1.0
291.57349	0.9
292.06076	5.8
292.09259	1.3
294.07605	7.6
294.10806	1.6
295.08267	8.3
307.08365	53.5
308.09189	9.4
309.09915	12.2
310.07355	1.5
310.10709	24.0
322.10733	56.6
323.11627	1.3
340.11798	100.0
358.12830	21.8
582.19531	1.3
600.20447	11.0
618.21722	25.5
618.30878	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50598	0.3
55.52793	0.3
65.67926	0.3
76.14511	0.4
100.08198	0.4
104.85220	0.4
217.72049	0.4
287.33661	0.4
292.09518	3.5
308.09076	1.5
320.09167	100.0
321.09665	1.6
334.10739	0.9
336.12271	4.2
515.81940	0.5
618.19897	0.8
618.29413	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62391	0.6
77.64124	0.6
81.03428	0.6
85.02999	0.6
99.04458	7.9
112.87046	0.7
137.06004	1.8
149.05994	6.7
151.07550	12.0
160.69115	0.9
177.05478	3.9
179.09503	1.4
180.10283	3.2
187.98013	0.7
190.08624	38.5
191.09410	17.6
192.10201	17.7
194.11807	0.9
195.08121	1.5
196.73160	0.7
205.55730	0.8
208.09679	18.6
208.11491	1.1
222.15266	0.7
249.09306	1.2
255.10381	0.8
267.10214	1.7
271.09769	0.9
277.08578	10.3
297.11252	1.0
299.13049	1.2
308.09262	3.1
308.12863	2.8
309.11124	1.0
320.09241	1.1
325.13062	2.3
327.12442	4.0
340.15555	8.7
358.12051	1.1
358.16504	39.0
618.25586	100.0
633.30304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62391	0.6
77.64124	0.6
81.03428	0.6
85.02999	0.6
99.04458	7.9
112.87046	0.7
137.06004	1.8
149.05994	6.7
151.07550	12.0
160.69115	0.9
177.05478	3.9
179.09503	1.4
180.10283	3.2
187.98013	0.7
190.08624	38.5
191.09410	17.6
192.10201	17.7
194.11807	0.9
195.08121	1.5
196.73160	0.7
205.55730	0.8
208.09679	18.6
208.11491	1.1
222.15266	0.7
249.09306	1.2
255.10381	0.8
267.10214	1.7
271.09769	0.9
277.08578	10.3
297.11252	1.0
299.13049	1.2
308.09262	3.1
308.12863	2.8
309.11124	1.0
320.09241	1.1
325.13062	2.3
327.12442	4.0
340.15555	8.7
358.12051	1.1
358.16504	39.0
618.25586	100.0
633.30304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76698	0.5
56.62430	0.6
63.39441	0.5
81.07070	0.6
88.07629	3.4
92.21442	1.0
92.97012	0.5
102.09149	0.6
104.35687	0.5
122.67904	0.6
154.66595	0.6
162.44704	0.7
238.90567	0.5
242.24789	1.1
243.24985	0.8
255.94164	0.6
256.26318	3.2
257.26709	3.3
294.11243	4.0
307.04733	0.7
308.09338	2.7
309.10013	3.1
321.06284	12.1
321.09720	1.0
322.07056	15.8
322.10715	4.2
323.08105	1.4
323.11481	10.6
333.06314	4.8
334.06952	0.9
336.04990	3.6
336.08621	5.6
336.12354	6.8
337.09067	5.4
337.12912	9.3
338.13791	38.7
350.06592	56.1
351.07394	28.9
365.08954	100.0
366.09744	73.6
582.48767	1.4
618.30328	41.7
618.38031	14.4
618.51160	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31349	1.3
56.38253	1.3
58.42053	1.3
60.08163	2.7
64.11218	1.3
66.49700	1.3
69.07085	1.8
70.77509	1.5
74.01273	1.5
79.29662	1.5
81.07064	1.7
86.09701	11.8
89.78145	1.6
92.20958	2.9
104.10750	100.0
180.95686	2.9
198.96747	11.9
216.97890	3.5
228.97952	1.7
236.83751	1.8
254.99377	2.6
277.03897	1.7
294.11206	6.3
306.07523	6.5
307.08377	7.2
308.09155	3.0
319.19513	10.0
320.09085	8.8
321.09579	3.6
322.10718	47.0
323.10965	2.6
336.12296	17.9
337.20508	25.0
365.96927	1.9
473.20145	3.2
558.28729	10.1
618.31177	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84708	1.0
58.35606	1.1
60.08150	5.2
65.60303	1.1
70.62801	1.2
71.07376	2.8
80.95461	1.1
86.09714	25.8
104.10751	100.0
118.15044	1.4
125.00038	1.2
139.45003	1.2
152.85744	1.6
154.94144	1.6
165.58333	1.2
172.95212	2.7
180.95755	2.9
184.07285	6.4
198.96808	20.6
210.96754	2.3
216.97830	11.2
228.97861	2.9
240.09924	1.3
254.99414	2.5
278.08057	6.0
288.80179	1.2
306.07590	9.6
307.08310	4.7
308.09137	10.1
319.19418	22.3
320.09277	1.5
321.09265	2.8
322.10690	13.2
324.12198	1.6
336.12164	6.2
337.20526	39.6
360.21994	2.1
473.19305	6.2
558.28632	12.4
618.30481	85.0
619.70337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46386	1.3
53.94254	1.4
61.41608	1.3
63.25647	1.7
64.71671	1.2
67.05502	1.5
69.88348	1.9
74.83400	1.3
93.03372	2.9
97.02892	71.2
114.83174	1.6
145.02847	19.6
149.02330	11.4
167.03378	36.0
169.06560	1.8
177.05460	85.0
189.09087	6.5
199.07542	8.3
217.08592	6.0
227.06989	10.1
245.08034	9.0
291.08640	26.9
292.09595	7.8
309.09778	7.3
318.07669	2.2
319.08469	12.0
320.09100	18.6
321.09973	28.6
322.10486	2.3
334.10690	27.0
335.11038	1.7
336.12283	100.0
337.12839	2.8
573.96436	1.9
618.27106	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01553	0.4
57.07064	0.5
58.06607	0.9
58.70210	0.4
58.79662	0.4
63.19313	0.5
67.05495	0.8
70.06590	0.6
71.08643	0.8
76.59016	0.4
83.08635	0.4
88.07639	7.5
89.07969	0.7
95.08649	0.5
98.25086	0.4
102.09183	1.7
104.07130	0.5
129.73784	0.4
152.06149	0.4
163.10136	0.5
242.24725	3.8
243.25168	1.7
256.26343	7.2
257.26666	5.9
265.08746	0.6
272.25912	1.0
273.26230	1.0
292.09662	0.5
293.10046	0.5
294.11240	7.5
306.11240	1.7
308.09186	4.0
313.92438	0.5
320.09222	0.8
321.09747	3.4
322.10666	12.6
323.11536	32.5
336.12265	9.8
337.12646	17.6
338.13828	100.0
352.15308	1.6
582.49713	3.3
600.49896	0.6
618.37659	44.3
618.50861	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28369	0.8
50.55775	0.8
50.80479	0.8
53.08795	0.7
60.58825	0.9
78.22993	0.8
79.35624	1.1
96.88404	1.0
99.04447	1.8
102.04335	0.9
131.30881	0.9
135.43297	1.0
278.29996	1.1
292.09729	8.5
304.09634	1.6
306.07590	1.7
320.09189	9.2
321.09973	30.2
336.12286	100.0
340.51721	1.2
385.38626	1.1
618.28174	1.5
618.37842	34.5
639.55902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01553	0.4
57.07064	0.5
58.06607	0.9
58.70210	0.4
58.79662	0.4
63.19313	0.5
67.05495	0.8
70.06590	0.6
71.08643	0.8
76.59016	0.4
83.08635	0.4
88.07639	7.5
89.07969	0.7
95.08649	0.5
98.25086	0.4
102.09183	1.7
104.07130	0.5
129.73784	0.4
152.06149	0.4
163.10136	0.5
242.24725	3.8
243.25168	1.7
256.26343	7.2
257.26666	5.9
265.08746	0.6
272.25912	1.0
273.26230	1.0
292.09662	0.5
293.10046	0.5
294.11240	7.5
306.11240	1.7
308.09186	4.0
313.92438	0.5
320.09222	0.8
321.09747	3.4
322.10666	12.6
323.11536	32.5
336.12265	9.8
337.12646	17.6
338.13828	100.0
352.15308	1.6
582.49713	3.3
600.49896	0.6
618.37659	44.3
618.50861	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08808	1.6
53.03989	1.3
54.29882	1.6
55.07561	1.4
55.14421	2.0
57.07081	4.2
58.06594	1.4
60.74394	1.6
62.66728	1.5
63.43921	1.6
67.05505	2.4
71.04993	1.8
71.08636	2.9
72.14420	1.6
73.02924	3.6
75.42564	1.5
81.03412	8.4
81.07059	4.5
85.02904	2.2
93.07040	2.4
95.08617	4.4
97.02892	3.3
99.04454	39.4
102.27284	1.8
109.02863	3.5
109.10172	2.3
133.07468	1.7
134.63710	1.7
162.06010	2.1
243.08633	2.9
292.09686	7.0
304.61511	1.8
320.09177	3.9
321.10019	27.0
336.12299	100.0
481.31534	8.7
503.04358	2.5
577.80566	2.3
618.37543	35.0
618.52307	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36707	1.3
52.10090	1.5
53.03951	6.3
55.05517	1.9
57.03424	1.4
57.07075	15.6
60.96537	2.0
66.65623	1.3
67.05509	3.0
69.03425	6.4
69.07066	3.0
70.48428	1.5
71.08631	11.2
73.02920	17.0
78.92078	1.4
81.03407	14.6
81.07048	6.7
83.08614	8.3
85.02905	4.2
85.10173	8.8
87.04470	2.5
92.20958	1.7
95.08600	12.8
97.02890	18.9
97.10139	2.2
98.52519	1.7
99.04455	100.0
109.02876	10.7
109.10173	3.8
120.41146	1.7
125.07440	1.7
127.03895	16.3
145.04915	2.7
159.87666	1.8
225.07599	7.1
239.23651	6.5
243.08636	19.8
251.64970	1.8
321.09958	3.7
336.12308	18.4
336.24988	2.0
337.12860	3.2
375.98251	2.0
481.31500	22.1
499.33044	14.4
618.37823	16.0
618.52545	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03416	1.1
51.70190	1.0
53.03950	6.5
55.05503	1.7
57.07085	13.9
59.22016	1.1
59.68014	1.3
67.05499	6.1
69.03426	6.0
69.07061	2.8
71.08631	10.2
73.02909	14.4
81.03442	14.8
81.07065	5.4
83.08630	6.0
85.02905	3.3
85.06513	1.3
85.10174	6.5
88.07605	2.2
95.08620	12.1
95.55186	1.2
97.02893	18.2
97.10166	2.9
99.04456	100.0
109.02861	6.5
109.10145	3.1
127.03896	14.7
141.05449	2.0
145.04945	2.3
149.93488	1.4
192.10146	1.6
204.98438	1.4
225.07564	1.6
239.23643	5.3
243.08678	16.8
263.48608	1.4
276.10312	1.4
292.09695	10.8
294.63345	1.2
306.07455	2.3
308.28369	1.3
320.09058	12.8
321.09882	32.6
321.13510	1.9
335.10925	2.0
336.12265	99.6
463.30414	2.1
481.31454	15.3
499.32629	15.0
618.37866	40.7
618.51282	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74244	4.1
55.05520	37.3
57.07072	6.8
58.06600	30.2
59.86803	4.3
67.05510	10.5
69.03427	8.1
69.07058	10.2
71.04993	7.9
71.79996	4.8
79.05507	18.0
81.07068	55.8
83.04987	22.4
83.08627	60.8
85.06536	7.9
86.73728	4.9
91.05479	24.8
93.07046	64.9
95.04951	24.8
95.08618	40.6
97.06521	24.1
105.07039	76.3
107.08589	77.5
109.06514	12.1
109.10149	29.6
111.08047	5.6
117.07027	9.4
119.08591	82.4
120.88819	4.3
121.06515	8.8
121.10149	55.4
123.08051	32.6
123.11804	5.1
125.09614	20.7
129.07028	6.6
131.08592	44.9
133.10147	58.6
135.11717	7.8
137.09593	6.7
139.11214	20.4
142.07895	5.5
143.08586	52.5
144.09354	6.0
145.10135	72.0
147.08127	14.1
147.11670	22.2
148.18036	5.2
149.09608	19.4
155.08572	11.8
156.09290	7.5
157.10101	69.4
159.08055	12.2
159.11772	35.4
160.08852	9.6
161.09590	7.9
161.13229	11.5
163.11179	8.7
167.06990	5.0
167.08482	8.4
167.10631	8.7
169.10126	27.3
171.11713	35.6
173.09555	5.8
173.13295	20.6
175.11188	9.0
181.10086	21.2
181.12161	9.2
182.10931	8.0
183.11676	26.9
185.13274	20.9
187.14799	10.3
189.12682	5.9
191.14308	8.0
193.10109	11.7
195.11670	19.6
196.12486	11.4
197.13254	36.6
199.11105	5.7
199.14792	11.3
207.11755	7.6
207.13803	6.9
208.12521	7.2
209.13275	34.2
209.15096	5.5
211.14816	27.1
213.12738	7.4
215.14513	7.6
220.12442	7.5
221.13324	10.8
221.15318	10.1
223.14861	11.0
225.14804	8.2
233.15352	41.8
235.14799	5.9
237.16476	11.4
249.16447	6.8
251.17937	7.5
255.17430	33.2
259.14899	5.8
265.08667	23.7
270.19861	8.6
271.16541	5.5
275.17883	6.2
297.11365	8.1
323.11588	9.0
324.11652	7.1
336.12231	33.9
338.13773	10.3
339.14331	17.4
340.14566	7.3
383.25732	24.5
414.29376	7.3
582.40564	9.7
600.42163	10.3
618.42145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	38.9
58.06597	23.0
67.05503	19.8
67.98766	4.5
69.03435	5.4
69.07074	22.8
76.32437	4.6
79.05488	33.1
79.05892	4.8
81.07053	55.0
83.05002	7.0
83.08623	48.7
85.06551	5.9
91.05472	32.1
93.07043	54.3
94.16805	5.9
95.04968	23.9
95.08598	31.7
97.06506	10.6
99.04440	6.5
104.10646	5.3
105.07024	51.4
107.05031	7.2
107.08595	62.1
109.06519	11.6
109.10159	28.0
111.08054	9.1
113.29109	4.8
117.06985	11.8
119.05021	4.3
119.08556	56.4
121.06503	10.4
121.10167	61.1
122.10244	4.3
123.08082	19.2
123.11730	7.2
125.09635	23.8
129.06998	8.4
131.08592	35.2
132.09335	5.8
133.10103	45.0
135.08023	6.6
135.11693	8.3
139.11137	10.4
142.07814	7.2
143.08554	28.6
145.10136	58.0
147.08011	9.2
147.11705	21.2
149.09607	10.6
155.08524	19.7
155.10686	5.3
156.09386	11.1
157.10114	56.3
158.10889	6.9
159.08017	9.0
159.11674	24.0
161.09633	5.4
161.13287	6.7
167.10687	9.9
169.10117	36.1
170.10831	5.2
171.11647	24.2
173.13217	8.3
173.35490	4.8
175.11269	8.0
175.14790	5.6
180.09291	5.3
181.10147	9.4
181.12213	24.8
182.10948	10.1
183.11679	30.8
185.13211	19.4
187.14972	5.8
189.12631	5.3
193.10245	5.8
195.11688	22.7
197.13257	33.7
199.14841	11.9
207.11823	9.9
208.12477	5.9
209.13268	24.9
211.11162	7.7
211.14786	18.6
213.12868	7.4
221.13257	9.5
221.15323	10.1
223.14850	11.5
233.13286	5.7
233.15376	29.1
235.14868	8.1
237.16385	7.0
255.17424	28.2
265.08606	8.0
270.19690	8.6
277.19534	7.1
297.11136	6.7
321.09949	9.6
336.12265	50.5
349.25009	5.7
365.24924	6.1
383.25742	18.6
437.38098	5.6
437.45709	6.1
538.62457	5.4
582.40503	8.1
600.41113	10.1
618.32288	7.8
618.43481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
53.80347	0.6
54.89768	0.7
55.01884	23.5
57.03438	1.1
57.32832	0.6
59.36091	0.6
62.19411	0.6
69.03428	4.8
71.05006	1.4
73.02921	33.8
74.41357	0.7
81.03430	12.1
85.02918	3.3
87.04468	5.0
97.02899	15.5
99.04460	100.0
109.02905	6.8
109.59082	0.7
115.03935	2.8
116.44637	0.6
117.71733	0.6
119.04949	1.7
121.59412	0.7
123.10601	0.8
127.03909	12.1
141.05476	3.8
141.21698	0.7
145.04962	0.9
147.04417	41.2
165.05502	2.4
171.06517	1.3
191.06987	8.8
225.07579	8.1
243.08650	29.9
245.08058	8.1
263.09070	4.7
269.59204	0.8
339.84982	0.7
353.10178	2.8
361.12753	1.3
371.11014	0.9
402.52985	0.8
464.51050	0.8
469.14917	1.4
472.49371	0.6
475.05618	0.7
487.16006	5.9
619.20605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68910	2.0
52.37798	2.1
59.82790	2.2
63.64970	2.5
66.61939	2.5
80.65323	2.7
81.15895	2.4
85.02879	4.0
91.05487	3.3
93.47298	2.5
101.45062	2.6
105.07034	12.3
107.04938	11.2
109.02877	17.5
116.20763	2.8
117.56525	2.5
119.04927	4.3
121.06509	5.9
133.06503	12.9
135.04405	5.4
137.05989	17.2
139.03874	2.6
141.05415	12.0
145.06482	4.2
147.04433	11.3
149.05972	17.4
151.07523	6.4
153.05472	60.0
161.05959	35.6
163.03848	4.1
165.05486	13.1
167.07022	100.0
167.09203	3.0
169.04947	4.9
173.05965	9.8
174.05376	2.8
175.03880	5.4
177.05489	27.2
177.09099	3.1
179.07047	28.8
181.05003	3.3
181.06473	3.4
181.08569	3.4
183.08011	3.8
191.07018	4.6
193.08636	32.1
195.06459	29.2
195.08026	3.0
197.08055	11.0
199.07474	5.4
204.07857	4.2
205.08624	6.1
207.06541	17.6
208.12579	3.5
209.06158	3.2
209.07961	3.4
211.07584	4.2
217.08461	11.6
223.09702	11.0
227.07097	5.2
231.10106	3.3
235.09616	11.1
239.07050	4.5
241.08536	4.7
241.10867	9.0
255.06595	4.9
255.10089	3.9
256.07413	3.5
257.08041	4.0
259.09723	6.1
267.06558	3.7
269.08084	9.5
271.09589	12.9
283.09689	9.5
287.09250	6.2
289.10745	5.2
297.11044	4.0
299.09113	13.3
301.10596	10.3
304.05884	3.9
313.10760	3.0
317.10211	3.6
319.08365	8.8
319.11847	27.1
320.08899	9.4
329.10168	3.9
331.11755	39.3
334.10736	14.8
335.11282	5.6
336.11716	4.1
343.11493	4.2
349.12665	11.4
375.13504	2.7
589.22638	4.0
601.22559	4.0
619.23010	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72759	0.4
53.03954	5.2
58.04873	0.4
69.03430	1.2
71.04986	1.9
81.03421	11.2
85.02902	6.1
97.02889	2.9
99.04456	100.0
109.02844	1.8
114.77586	0.4
115.27866	0.5
117.05484	14.4
127.03908	2.8
129.06981	0.7
131.08620	0.7
131.29704	0.5
137.05984	0.9
141.07048	0.6
157.06506	2.4
159.08093	0.9
166.95702	0.5
169.06538	0.7
171.22235	0.6
173.06012	0.6
187.07544	10.1
199.07555	2.7
201.09142	1.1
202.82474	0.5
217.08578	40.8
235.09677	2.6
243.08835	0.6
261.09564	5.3
323.12723	0.7
336.12427	2.2
393.47803	0.6
637.32495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46674	0.7
67.97390	0.8
79.05507	0.9
80.28929	0.9
105.07000	1.1
107.04956	6.1
116.82845	0.8
121.06532	1.4
123.04427	1.6
133.06482	1.6
137.05960	1.8
145.06485	3.3
147.70438	0.8
152.04712	1.1
161.06003	3.2
165.05504	2.0
167.07033	100.0
173.05989	5.4
175.07487	0.9
181.04964	5.3
181.08560	4.1
187.07547	3.5
191.07010	4.2
193.08623	5.7
195.06482	1.8
201.05493	1.3
203.06970	2.0
205.08618	5.9
206.09381	1.6
207.06488	1.6
209.08035	4.7
216.07726	2.0
217.08510	3.0
219.06380	1.5
219.08287	1.5
221.07948	1.6
231.08051	4.6
233.08101	3.8
234.08894	2.1
235.07625	1.1
237.09087	0.9
240.75459	0.8
247.07446	1.9
247.09750	1.2
248.08324	2.0
249.09140	1.9
250.06291	1.4
259.07480	2.0
261.09070	1.5
263.10641	5.0
264.07874	1.1
265.08524	4.3
275.07068	3.5
276.07953	1.0
277.08420	5.9
279.10165	1.7
291.10162	5.8
292.11096	1.0
293.08063	3.6
294.09009	1.8
297.11191	1.5
305.08148	1.8
306.08875	1.3
307.09625	3.9
308.10400	1.2
309.11136	1.1
311.09171	1.8
311.12589	1.2
313.10492	1.5
319.09933	1.6
323.09183	1.4
323.12781	3.7
324.09952	1.4
325.10678	9.7
326.11374	1.8
327.63425	0.9
337.10629	11.3
339.12579	3.0
341.10159	1.1
342.10956	2.0
345.13309	1.8
349.10684	1.7
351.12137	3.9
353.10550	1.3
354.10846	1.9
357.13281	8.3
367.11621	2.1
369.13376	4.9
370.14108	1.3
371.14789	3.9
373.12708	3.5
375.14090	1.8
381.13318	6.8
382.14209	1.6
383.14731	4.1
399.14313	3.9
400.15265	13.7
401.15936	58.3
409.92627	0.9
422.89929	1.0
583.21576	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.0
69.03439	3.4
71.04969	0.9
71.67943	0.9
80.98027	0.8
81.03416	12.2
85.02905	7.5
97.02888	8.0
99.04456	100.0
109.02869	2.1
117.05498	7.6
119.04944	1.0
127.03921	4.2
129.56908	0.9
131.04924	1.9
133.02876	1.0
134.50775	0.8
136.22398	0.8
136.31604	0.8
137.05980	34.8
138.93298	0.7
143.04904	5.2
145.02893	1.1
149.05946	0.9
157.06525	1.1
160.05203	2.1
161.06035	1.6
163.07481	1.1
175.07530	40.1
175.09033	1.8
177.05469	1.1
187.07539	17.4
189.09149	4.3
205.06874	0.9
205.08551	7.7
207.06615	1.1
224.37766	1.0
235.09673	12.3
243.08647	1.3
270.08710	1.1
271.09634	2.0
291.10202	1.9
323.12973	2.0
336.12320	1.2
341.13760	7.1
594.88965	1.0
619.21588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
57.03401	0.6
69.03427	2.9
71.04991	2.4
81.03414	8.4
84.44931	0.6
85.02905	8.7
97.02885	3.1
99.04447	100.0
109.02866	1.3
117.05485	11.1
127.03934	3.0
129.04669	0.7
129.06972	1.3
131.08546	1.2
137.05972	1.3
145.04938	0.7
157.06448	3.4
159.08009	1.0
165.09081	1.5
169.06438	0.9
173.05922	1.4
175.07417	0.8
187.07513	11.7
199.07526	3.5
199.09198	0.6
201.09081	3.0
217.08574	42.8
235.09578	2.4
243.08507	0.6
261.09763	4.4
269.08069	5.8
292.36670	0.6
319.08313	0.9
321.09677	0.8
334.10721	1.0
335.11215	1.1
336.12289	2.8
337.12875	0.8
619.22681	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75616	3.1
53.13935	3.0
66.56505	3.2
71.50895	3.4
76.70074	3.7
81.03407	3.9
82.45865	3.6
84.33730	4.0
85.02872	4.4
87.50632	3.9
90.14113	4.0
91.15087	3.6
99.04453	4.3
109.06609	3.5
119.40775	4.5
130.14365	3.5
130.15500	3.8
137.05980	94.9
140.18361	3.7
144.32013	3.8
151.03851	6.9
161.05934	9.5
201.05443	91.4
207.06534	3.8
213.05392	9.3
234.06683	6.9
237.09213	4.9
249.08994	7.2
262.06195	7.8
265.08539	20.3
277.08566	36.2
290.05615	53.6
292.07303	6.0
293.08035	26.3
294.08929	7.1
295.09802	4.2
304.07474	6.7
305.08072	89.7
307.09726	26.9
320.09171	8.0
321.09555	7.5
322.08154	17.8
325.10706	34.0
334.10544	8.2
337.10660	100.0
355.11810	63.3
369.81046	4.2
374.12991	5.3
517.17267	7.5
619.22351	17.8
641.49377	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62580	0.8
73.98158	0.9
91.05473	1.8
116.06187	1.1
119.08605	1.5
129.07005	4.0
131.04973	1.5
131.08568	1.1
144.05679	3.3
145.06493	2.0
147.07993	1.6
148.05208	4.1
156.05655	3.7
159.06711	1.3
159.08040	36.9
160.05254	1.0
166.06230	8.0
172.05139	1.3
175.07547	9.3
181.08594	50.2
182.08980	1.6
187.07536	100.0
190.06267	1.5
199.07527	1.0
205.08641	2.0
207.10138	1.9
229.08588	1.0
247.09645	12.2
320.09198	4.5
328.10834	1.6
329.07956	1.1
329.11612	2.0
331.13199	1.0
333.11133	1.7
334.10721	0.9
336.12433	1.5
341.10016	1.3
342.48325	0.9
344.10175	1.1
345.11249	7.0
347.15063	6.1
351.12173	4.6
359.12769	5.1
360.13541	5.2
361.10559	3.7
365.13730	1.5
371.14914	1.7
373.17108	1.0
391.15454	11.5
397.16644	1.7
511.61188	0.9
559.24127	11.9
619.26031	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21538	0.8
53.80613	0.8
55.05514	2.2
67.05520	8.6
68.33961	0.9
69.07079	7.0
74.49815	0.8
78.22198	0.8
79.05495	1.9
81.07050	10.0
83.08632	4.4
91.05482	1.2
93.07027	4.2
95.08616	8.2
97.10188	1.7
105.07025	1.1
107.08602	1.7
109.10180	4.7
119.08649	1.0
120.96637	4.2
121.10146	1.6
123.11723	1.7
143.18719	0.8
176.99261	8.2
195.00336	3.8
203.05312	5.4
213.00043	1.2
265.00970	5.9
283.01968	11.2
293.74277	0.9
301.01685	9.4
321.09744	1.0
337.27448	6.6
357.04462	1.2
377.26495	1.1
439.22159	6.5
445.00018	1.0
457.22696	1.3
474.55246	1.0
497.99753	0.9
601.26697	1.2
619.28485	100.0
624.16492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61346	0.7
55.05518	3.7
57.03431	1.3
57.43416	0.7
67.05511	8.0
69.07072	5.7
75.71106	0.8
77.50320	0.9
79.05499	1.4
81.07065	9.9
83.08641	4.0
91.05549	0.9
93.07052	5.0
95.08605	12.3
97.10159	1.2
104.05404	0.8
107.08632	3.0
109.10159	2.1
119.08632	1.5
120.96643	3.9
121.10113	2.0
122.51397	0.7
123.11723	1.3
133.10173	1.0
135.11700	0.9
137.13319	1.0
176.99219	7.2
195.00404	3.4
203.05293	4.4
213.00116	1.8
216.99565	1.1
261.26050	0.9
265.00937	6.6
283.01871	12.3
301.01663	9.8
307.82178	0.9
320.09378	1.6
321.09888	1.1
322.10107	2.0
337.27441	4.2
363.38330	1.0
439.22290	9.6
457.22873	1.4
562.68298	1.0
619.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47708	2.0
55.05515	12.4
57.07074	11.5
62.43547	2.2
62.65754	2.3
62.91922	2.4
66.81506	2.7
67.05482	4.7
69.07070	23.5
71.08624	12.2
72.93618	2.5
81.07074	11.4
83.08627	27.1
86.87574	2.9
93.07038	4.6
95.08604	15.5
97.06571	4.8
97.10174	15.2
100.07597	4.2
101.62039	2.5
102.05637	2.7
107.08572	4.4
109.10135	10.4
109.24692	2.7
111.08103	2.8
111.11715	3.6
116.35803	2.5
121.10131	10.7
123.11726	6.0
125.27089	2.4
135.11684	12.8
193.03137	2.7
275.27322	3.1
293.28348	5.8
310.31024	100.0
366.30338	2.8
619.52356	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69259	0.4
58.06595	0.7
65.41740	0.5
66.71646	0.5
76.37811	0.5
81.07073	0.5
81.54385	0.5
95.08640	0.7
190.05049	1.2
207.54900	0.5
248.10742	0.8
262.08621	1.1
275.09515	0.8
276.10193	9.7
277.10992	2.5
288.10190	0.9
290.07971	1.4
291.12506	10.2
292.13312	7.7
294.11148	0.6
296.12927	2.6
304.09644	6.6
305.10406	8.3
307.08481	0.9
308.09180	1.0
319.08496	1.2
320.12787	74.5
321.09958	3.2
322.10739	2.6
323.11542	9.0
334.10889	2.6
336.12234	7.3
337.12750	1.3
338.13770	0.8
355.28452	0.7
398.03806	0.5
547.13171	0.8
561.14478	2.5
562.15143	7.1
574.11151	1.2
576.16675	10.4
588.16101	4.9
589.13641	0.9
590.14490	17.3
604.15979	14.6
605.16742	6.3
620.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72523	1.0
57.18531	0.9
60.71815	1.0
66.67108	1.0
119.59134	1.2
120.53490	1.3
151.81961	1.3
225.62469	1.3
279.16470	1.2
307.08386	43.7
308.09259	11.1
319.08121	1.3
320.09195	14.9
321.09802	2.3
322.10684	4.8
328.61472	1.2
333.10059	1.3
334.10873	7.1
335.11475	38.4
336.12509	1.8
337.12878	2.4
352.15463	7.4
376.11713	26.9
446.12430	2.6
448.13950	1.4
455.10193	2.6
470.12286	23.6
472.14127	1.5
486.92032	1.6
514.17096	1.4
541.02490	1.4
542.04120	1.3
546.19110	4.9
559.16205	2.0
574.18701	32.2
587.16095	1.6
602.18152	49.5
620.19159	100.0
620.31909	8.3
639.32996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54993	0.3
55.40769	0.4
57.93701	0.4
79.93049	0.4
80.17571	0.4
145.45396	0.6
171.55717	0.5
177.38477	0.5
223.44522	0.4
276.06635	0.7
290.08096	8.6
302.08142	3.6
304.06042	7.8
318.07578	12.3
319.08389	43.1
320.09067	4.6
321.09909	1.0
322.10648	1.8
334.10724	100.0
335.10849	0.9
336.12122	2.5
425.12604	0.5
428.11325	2.6
443.13513	3.7
620.22986	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34245	0.4
74.96598	0.4
86.20661	0.4
105.04852	0.4
105.58797	0.4
184.50197	0.4
290.08118	9.3
302.08136	1.9
304.06033	8.1
318.07620	10.3
319.08392	47.9
320.08990	2.8
321.09567	0.9
322.10318	0.6
333.28333	0.5
334.10730	100.0
335.11029	2.1
336.12231	2.0
343.92706	0.4
360.12332	0.5
367.71072	0.4
457.17584	0.4
620.23969	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86615	0.4
61.65452	0.4
68.54250	0.4
75.04506	0.4
75.11521	0.4
76.83276	0.4
86.48984	0.3
97.37837	0.4
102.25961	0.4
122.65797	0.4
181.80646	0.4
251.90453	0.4
276.06775	0.5
290.08105	8.8
302.08191	2.9
304.06003	8.2
318.07581	9.9
319.08374	43.0
320.09064	3.6
321.09775	1.0
322.10516	0.6
334.10718	100.0
335.11063	0.6
336.12335	3.5
452.94681	0.5
489.21356	0.5
620.23999	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24166	0.4
74.16856	0.4
80.58373	0.4
94.48297	0.4
97.69350	0.4
99.04441	0.6
145.20114	0.5
148.09656	0.5
160.77737	0.5
276.06485	0.6
290.08057	8.2
302.08081	2.3
304.06027	6.3
318.07565	9.6
319.08386	44.1
320.09116	6.3
321.09583	0.9
334.10724	100.0
335.11023	0.6
336.12286	4.2
611.61072	0.5
620.23810	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86615	0.4
61.65452	0.4
68.54250	0.4
75.04506	0.4
75.11521	0.4
76.83276	0.4
86.48984	0.3
97.37837	0.4
102.25961	0.4
122.65797	0.4
181.80646	0.4
251.90453	0.4
276.06775	0.5
290.08105	8.8
302.08191	2.9
304.06003	8.2
318.07581	9.9
319.08374	43.0
320.09064	3.6
321.09775	1.0
322.10516	0.6
334.10718	100.0
335.11063	0.6
336.12335	3.5
452.94681	0.5
489.21356	0.5
620.23999	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.5
69.03419	0.6
71.07058	0.3
78.41985	0.3
81.03407	1.6
85.02898	1.2
99.04447	1.2
100.89870	0.3
109.02874	1.7
117.03381	1.8
117.31486	0.3
122.89753	0.3
127.03906	1.1
145.02850	22.6
149.05971	0.7
163.03915	0.3
167.07114	0.3
177.05457	100.0
195.06502	1.3
261.11176	1.5
279.12442	0.6
292.46655	0.3
294.18597	0.3
321.09613	4.1
339.10712	9.7
352.43405	0.3
354.09668	1.6
372.10733	0.4
387.46307	0.3
423.16797	0.5
441.17599	0.6
501.15970	3.8
546.17529	0.5
620.21826	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87112	1.4
54.17968	1.2
61.02923	5.4
69.03447	2.3
70.06608	1.7
72.50874	1.3
73.05177	1.4
89.37226	1.2
91.05487	1.4
92.92851	1.3
95.04971	24.6
99.04472	3.2
103.05458	1.6
112.88253	1.5
119.04990	4.7
123.04428	82.7
131.04900	18.9
133.02850	12.0
135.04433	1.9
137.05984	11.5
140.04695	12.0
147.04401	10.0
149.05974	2.3
151.03931	2.4
155.07025	75.5
163.03920	7.8
163.07535	13.7
165.05461	7.7
167.07022	60.5
167.08354	2.9
177.05434	7.7
179.07019	11.5
183.06516	100.0
193.04929	2.1
195.06548	15.9
207.06526	6.5
209.12947	2.0
225.07565	49.2
227.09036	2.8
233.08104	2.1
243.08614	13.2
269.14957	1.7
319.47696	1.7
355.11685	2.0
357.13281	2.9
375.14099	6.4
458.13925	20.5
620.20148	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97335	0.2
63.19768	0.2
68.26279	0.2
69.03430	0.9
81.03436	0.3
85.02910	2.4
89.03896	0.4
109.02821	0.3
117.03391	3.5
127.03886	0.3
134.03622	0.3
135.04428	0.3
145.02844	31.9
149.05983	1.0
167.12729	0.2
168.90758	0.2
177.05458	100.0
195.06508	2.1
224.81735	0.2
240.69768	0.2
243.10103	0.4
249.11281	0.3
261.11194	1.7
279.12213	2.8
321.09613	1.0
328.88782	0.2
339.10696	6.6
517.71930	0.3
595.17755	0.3
604.97656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00487	0.5
58.06605	62.2
69.03446	0.5
69.48307	0.4
83.04980	1.1
95.76054	0.5
99.04468	0.7
128.65576	0.5
139.03908	1.3
179.28584	0.5
207.06429	0.6
250.74487	0.6
263.07184	0.8
265.08658	2.4
281.08060	17.5
289.12271	0.6
296.10416	58.2
297.11203	1.2
303.10547	0.7
317.11813	1.2
323.13034	0.7
335.12897	2.5
337.14325	0.7
349.10666	2.6
349.14545	2.9
360.10922	2.2
367.15381	11.0
380.12531	0.7
395.14996	3.4
589.14795	0.7
620.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00487	0.5
58.06605	62.2
69.03446	0.5
69.48307	0.4
83.04980	1.1
95.76054	0.5
99.04468	0.7
128.65576	0.5
139.03908	1.3
179.28584	0.5
207.06429	0.6
250.74487	0.6
263.07184	0.8
265.08658	2.4
281.08060	17.5
289.12271	0.6
296.10416	58.2
297.11203	1.2
303.10547	0.7
317.11813	1.2
323.13034	0.7
335.12897	2.5
337.14325	0.7
349.10666	2.6
349.14545	2.9
360.10922	2.2
367.15381	11.0
380.12531	0.7
395.14996	3.4
589.14795	0.7
620.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00487	0.5
58.06605	62.2
69.03446	0.5
69.48307	0.4
83.04980	1.1
95.76054	0.5
99.04468	0.7
128.65576	0.5
139.03908	1.3
179.28584	0.5
207.06429	0.6
250.74487	0.6
263.07184	0.8
265.08658	2.4
281.08060	17.5
289.12271	0.6
296.10416	58.2
297.11203	1.2
303.10547	0.7
317.11813	1.2
323.13034	0.7
335.12897	2.5
337.14325	0.7
349.10666	2.6
349.14545	2.9
360.10922	2.2
367.15381	11.0
380.12531	0.7
395.14996	3.4
589.14795	0.7
620.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00487	0.5
58.06605	62.2
69.03446	0.5
69.48307	0.4
83.04980	1.1
95.76054	0.5
99.04468	0.7
128.65576	0.5
139.03908	1.3
179.28584	0.5
207.06429	0.6
250.74487	0.6
263.07184	0.8
265.08658	2.4
281.08060	17.5
289.12271	0.6
296.10416	58.2
297.11203	1.2
303.10547	0.7
317.11813	1.2
323.13034	0.7
335.12897	2.5
337.14325	0.7
349.10666	2.6
349.14545	2.9
360.10922	2.2
367.15381	11.0
380.12531	0.7
395.14996	3.4
589.14795	0.7
620.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59143	0.4
58.06565	1.2
65.72112	0.4
69.03386	0.6
84.77716	0.4
100.20154	0.5
103.13951	0.6
120.66006	0.5
121.06393	0.8
132.02481	0.6
286.06769	0.5
290.08063	1.9
292.09705	8.8
304.06110	0.7
304.09564	0.7
306.07590	3.0
306.10757	0.6
318.07581	2.0
319.08350	7.6
320.09201	8.5
321.09927	26.7
322.10611	0.8
334.10718	15.0
335.11069	1.0
336.12277	100.0
337.12805	0.9
567.79669	0.6
620.28558	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01351	0.3
58.06549	0.4
133.10086	0.4
149.71689	0.3
181.00797	0.4
202.37108	0.4
262.18546	0.4
272.99640	0.4
292.09671	9.1
304.09515	0.6
306.07562	1.9
319.08389	0.7
320.09186	8.9
321.09958	27.9
322.10461	1.3
323.11414	0.5
334.10745	1.8
336.12289	100.0
337.12863	1.8
338.13562	0.5
620.28564	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01351	0.3
58.06549	0.4
133.10086	0.4
149.71689	0.3
181.00797	0.4
202.37108	0.4
262.18546	0.4
272.99640	0.4
292.09671	9.1
304.09515	0.6
306.07562	1.9
319.08389	0.7
320.09186	8.9
321.09958	27.9
322.10461	1.3
323.11414	0.5
334.10745	1.8
336.12289	100.0
337.12863	1.8
338.13562	0.5
620.28564	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	4.3
58.50205	0.8
70.06594	3.4
147.04390	0.9
290.08060	3.4
292.09625	8.1
302.08063	0.8
304.06058	3.5
304.09589	1.5
306.07724	1.6
318.07669	4.8
319.08337	24.0
320.09045	9.7
321.09964	29.6
330.61539	0.9
334.10730	56.6
336.12280	100.0
337.12848	1.4
338.13580	1.6
357.15747	0.9
620.28516	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	9.9
57.07076	1.1
59.53920	0.6
61.98870	0.5
63.59987	0.5
64.79755	0.5
67.05505	3.8
69.07073	14.0
81.07056	7.0
82.58397	0.6
83.08630	8.4
85.06530	0.6
91.05482	0.8
93.07057	3.0
95.08611	9.1
97.10182	4.3
105.07037	2.9
107.08617	2.6
109.10164	2.6
119.08595	3.1
121.10144	1.3
123.08091	0.8
123.11758	1.0
133.10153	2.6
135.11696	0.7
145.56633	0.5
147.11702	1.4
153.51553	0.6
161.13297	1.3
278.08011	1.3
289.07416	2.4
292.06137	3.1
306.07590	16.9
306.10806	1.0
307.08463	8.8
310.10773	0.9
321.09952	26.5
322.07175	2.8
322.10721	50.8
334.07193	3.1
335.08008	2.5
337.09491	4.0
338.10220	10.5
338.13870	0.8
350.10162	11.9
353.08896	1.0
366.09729	4.2
368.11264	11.5
439.06906	0.6
445.09903	0.6
457.78482	0.6
489.83621	0.6
620.32166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.1
57.07071	0.6
59.99335	0.7
60.94548	0.6
62.80182	0.7
67.05497	4.4
69.07072	12.2
70.49180	0.7
72.97378	0.5
73.02785	0.7
76.76325	0.6
79.05477	1.0
81.07056	8.4
83.08620	7.3
85.35751	0.6
91.05455	1.5
93.07037	2.8
95.08600	8.3
97.06539	1.1
97.10159	3.9
97.89650	0.6
102.44736	0.6
105.07017	1.4
107.08593	3.4
109.10141	3.7
110.06910	0.6
115.19836	0.7
119.08576	2.9
121.10154	2.9
123.11741	1.1
133.10159	3.4
135.11755	0.8
137.09616	0.8
147.11705	1.6
150.24738	0.8
161.13217	0.9
184.07080	0.7
278.08188	2.9
289.07318	2.8
292.05878	1.7
294.07724	0.7
306.07599	17.6
307.08316	8.7
310.10709	2.8
320.09155	1.6
321.09946	28.6
322.07220	2.4
322.10706	55.8
323.07831	3.1
323.11301	1.5
324.11719	2.8
334.06949	1.2
334.10736	0.8
335.07788	1.3
337.09366	3.2
337.12891	0.9
338.10214	9.6
338.13867	3.5
339.14160	5.9
340.14493	3.5
350.10159	10.1
353.08936	1.4
366.09714	4.1
368.11282	13.8
522.38361	1.1
620.31964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40963	2.1
55.05513	14.7
60.02864	2.3
61.50346	2.3
67.05504	16.6
69.03432	5.5
73.05873	2.1
75.30950	2.2
79.05489	3.5
81.07061	6.2
83.08614	23.8
93.07031	5.4
95.08597	2.4
97.10176	70.6
107.08591	20.4
109.10150	4.3
125.09626	100.0
135.08057	4.6
136.12025	2.6
153.09081	27.9
171.10161	6.6
176.00862	2.9
189.11217	53.8
199.34000	2.7
227.12790	70.4
245.13808	4.7
319.08295	3.5
336.12344	4.0
353.75119	3.1
357.20712	3.2
373.00958	3.5
397.22086	32.1
415.23318	66.3
567.31903	29.7
585.32764	50.3
620.31635	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01880	2.8
55.05531	9.9
57.03444	3.0
57.07092	1.7
57.66293	1.3
62.61509	1.1
63.31267	1.0
67.05516	28.2
69.03429	8.6
69.07076	9.8
71.04990	7.2
71.48962	1.1
73.02932	1.7
79.05505	26.8
81.03421	6.3
81.07063	40.1
83.05003	2.1
83.08639	5.6
84.53704	1.2
85.02924	11.9
85.06560	1.5
90.53313	1.3
91.05499	10.6
93.07050	34.8
95.05076	1.4
95.08611	32.0
97.02901	76.9
97.06560	2.5
97.10175	1.8
99.04461	35.3
99.08109	1.6
105.07020	12.5
107.04982	1.2
107.08599	22.1
109.02878	10.6
109.06526	1.2
109.10165	15.2
111.08076	1.9
117.07024	6.7
119.08575	15.4
121.10148	31.8
123.11705	7.9
127.03928	25.7
131.08568	10.9
133.10150	10.3
135.11697	20.9
145.04922	11.0
145.10152	7.6
147.11705	7.0
149.13306	9.9
159.11723	6.8
161.13274	6.4
163.14792	2.8
169.10130	1.5
173.13225	6.3
175.14890	2.9
187.14839	2.5
243.21089	1.5
244.81203	1.3
259.20447	1.7
261.22156	19.0
277.21896	1.6
279.23248	6.2
322.10214	1.6
326.13382	8.8
336.12433	4.6
350.10153	2.2
369.24045	1.3
387.25375	5.9
405.26404	2.8
423.27417	100.0
602.34424	11.5
602.43243	2.3
620.26337	3.0
620.36621	5.1
620.46075	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.5
55.05516	9.8
58.68152	2.3
67.05515	33.9
69.03436	24.3
69.07074	3.6
71.04987	5.4
73.02916	2.7
79.05504	26.4
81.03422	25.8
81.07056	36.7
83.08588	5.9
85.02914	15.8
91.05482	13.2
93.07044	35.7
95.08638	30.7
97.02901	29.7
99.04465	53.2
105.07018	16.4
107.08633	19.9
109.02864	24.5
109.10162	21.4
110.77969	2.7
119.08582	13.2
121.09364	3.3
121.10159	27.3
123.11738	3.7
125.47544	2.8
127.03933	59.4
129.51689	2.5
131.08559	10.9
133.10156	12.9
135.11693	19.5
145.04988	5.6
145.10132	4.1
147.11690	10.5
149.13257	5.7
151.14833	2.6
154.12280	3.6
157.09993	3.1
159.11671	4.9
164.05347	3.1
170.75241	2.6
232.57948	2.8
261.22183	12.1
277.21600	3.5
359.24496	2.8
369.24405	4.6
405.26315	9.8
423.27484	100.0
620.37335	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1812
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.05519	0.3
65.70491	0.3
69.03443	4.0
69.17638	0.3
70.64879	0.3
71.04992	0.5
76.51072	0.3
83.04978	1.5
85.02915	1.3
92.21520	0.3
99.04465	1.8
111.04451	1.4
111.07491	0.3
124.63184	0.3
129.05484	1.9
138.06265	0.3
138.46751	0.3
139.81088	0.3
177.05424	0.3
189.07637	1.1
217.26099	0.3
223.02374	0.6
271.06006	100.0
313.07080	4.4
401.55469	0.3
433.11316	8.2
524.02649	0.3
621.17981	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
69.03416	0.8
75.79040	0.1
81.83147	0.1
84.08096	0.2
85.02901	1.0
87.04490	0.2
97.02901	1.9
99.04484	0.2
111.29951	0.2
115.03905	1.5
133.68010	0.1
157.04982	0.7
175.05952	0.3
212.08583	0.2
232.23392	0.2
240.36855	0.2
242.05687	0.3
270.05252	1.3
285.07550	100.0
293.47992	0.1
319.08252	0.4
320.09137	0.6
321.09744	0.3
322.10419	0.2
334.10651	0.9
335.10748	0.2
336.12326	1.9
337.12643	1.2
338.13422	0.2
353.15652	0.2
414.22626	0.2
447.12827	20.2
535.27026	0.2
587.61285	0.2
621.17694	2.5
621.31580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89495	0.3
55.05516	0.9
67.05511	0.8
69.03414	0.5
76.33215	0.4
81.03421	0.6
83.04987	15.5
85.02910	34.5
95.11930	0.4
95.63964	0.4
99.04460	2.0
99.46399	0.4
111.04447	8.4
127.03899	2.7
129.05498	5.4
147.04311	0.4
171.06522	26.2
189.07587	12.8
231.89496	0.4
271.06006	100.0
296.45374	0.4
336.12027	0.4
349.21396	0.5
433.11304	6.2
546.26898	0.4
621.17249	4.2
632.51642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47426	0.3
51.99891	0.3
53.57527	0.4
56.69765	0.3
58.10204	0.3
68.78855	0.3
69.03427	0.6
78.12954	0.4
78.20310	0.3
84.96330	0.4
85.02901	0.8
87.04396	0.3
97.02902	1.7
102.75211	0.4
115.03871	0.6
157.04932	0.6
159.93379	0.4
175.06033	0.4
266.45416	0.3
270.05219	0.5
285.07562	100.0
293.10220	0.5
319.08377	0.8
320.09149	2.0
321.09567	1.5
322.10248	0.7
334.10663	2.9
335.11209	0.8
336.12280	4.7
337.12640	3.8
338.42413	0.5
352.15332	1.9
353.15741	0.9
399.93701	0.5
447.12875	20.0
621.18744	1.9
621.28485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.3
57.03416	0.5
63.97997	0.4
69.03421	2.0
70.30828	0.4
71.04993	0.9
81.03421	9.8
85.02911	6.9
86.45328	0.4
97.02880	3.0
99.04454	100.0
101.02367	0.4
109.02860	1.0
117.05488	10.7
127.03904	3.6
131.08588	0.9
134.24460	0.4
137.05988	1.7
138.41078	0.4
139.00136	0.4
141.06978	0.6
145.04953	0.7
157.06473	2.4
158.07224	0.4
159.08046	3.5
169.06400	0.6
174.06746	2.1
175.07567	2.1
186.06812	0.4
187.07584	0.4
189.09079	14.9
189.10619	0.8
191.10706	1.7
201.09084	4.7
203.10616	3.2
216.52406	0.4
219.10155	50.5
237.11102	0.6
243.08606	0.6
261.09579	3.7
312.88501	0.5
341.13901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03727	0.6
53.03958	5.3
59.56781	0.6
63.97256	0.7
69.03432	1.2
71.04996	1.0
81.03424	9.0
85.02901	5.2
97.02889	1.4
99.04462	100.0
102.72646	0.6
112.19744	0.6
117.05496	10.9
127.03923	2.3
131.08575	0.9
137.06029	1.0
138.21654	0.6
143.08533	0.6
145.04964	0.9
157.06476	0.8
159.08046	3.0
174.06764	2.8
175.07571	2.5
189.09103	15.4
191.10646	1.0
200.20476	0.6
201.09068	4.6
203.10716	2.9
219.10164	56.1
252.40178	0.7
261.09702	3.0
319.08044	0.8
320.09036	2.1
321.09454	2.6
334.10681	0.8
570.38599	0.6
621.17883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.1
55.22285	0.4
55.97569	0.4
63.27239	0.4
66.75216	0.4
68.21326	0.4
69.03426	3.3
71.04988	0.8
81.03435	9.9
85.02930	5.8
97.02890	3.3
99.04462	100.0
109.02841	1.0
117.05499	11.8
117.06866	0.7
117.24299	0.5
127.03916	2.7
131.08557	1.1
132.19165	0.5
137.05977	2.2
151.07565	0.5
157.06506	1.1
159.08076	4.5
163.07544	0.6
169.06485	0.8
174.06750	3.3
175.07570	2.0
189.09113	13.2
191.10669	1.2
201.09074	4.6
203.10680	2.6
219.10165	49.1
237.11266	0.7
261.09668	3.5
279.12357	0.5
411.50534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61383	2.9
54.28270	2.9
67.05500	6.2
79.05511	3.9
93.07045	5.0
93.07646	3.4
98.86809	3.4
107.08623	3.5
107.31563	3.6
121.10131	3.6
179.55397	4.2
262.72012	3.5
268.87659	3.2
338.12787	5.3
447.21780	6.6
459.22043	4.5
474.20328	22.2
475.21115	24.2
491.37970	3.5
501.22922	3.8
533.25793	23.2
561.25024	68.5
621.27167	100.0
621.36328	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.90700	1.4
111.55357	1.0
127.14542	1.3
196.93056	1.1
228.56505	1.1
339.14191	1.3
431.18811	2.5
432.19482	1.4
445.20013	5.0
459.21741	1.9
460.22787	5.9
461.23480	6.1
475.34219	1.2
477.23108	1.3
488.22223	4.6
489.23294	5.0
504.21548	1.5
505.22470	6.0
515.23755	1.8
519.20245	1.2
533.26062	12.7
561.25037	31.9
617.91022	1.3
621.27094	100.0
621.35809	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
65.09215	0.8
67.05485	1.0
72.32875	0.8
81.07048	1.5
92.74945	0.9
95.08600	1.3
105.06985	1.0
106.45885	0.9
132.88902	1.1
238.99265	0.9
419.22339	4.4
432.19485	1.1
433.20679	1.5
440.80069	1.1
445.19955	2.7
446.21140	9.2
447.21820	14.4
450.55313	1.1
459.22412	2.2
473.24332	1.0
474.20395	14.3
475.21164	13.9
487.21021	2.4
491.20569	1.7
501.23038	4.2
505.25934	1.5
533.25476	28.4
561.24988	34.4
593.27631	4.7
596.31055	1.1
621.27069	100.0
621.44196	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26524	0.3
82.83479	0.3
108.78907	0.3
140.38403	0.4
213.65823	0.4
239.84460	0.4
417.16940	0.6
419.22302	5.5
431.18546	0.9
432.19562	1.8
433.20294	1.8
435.21988	0.4
445.19989	4.1
446.20926	10.4
447.21808	14.1
448.22656	0.5
459.22467	3.7
460.18890	0.6
461.19476	1.4
463.06342	0.4
463.21173	0.4
473.19186	0.6
473.23645	1.7
474.20383	12.6
475.21207	12.6
477.23010	0.7
487.21515	4.9
488.22003	1.5
491.21048	2.4
492.26050	0.5
501.22928	3.2
505.22141	1.1
505.25928	1.9
518.23138	0.8
519.20483	1.9
529.22180	0.7
533.25476	30.3
546.22260	0.6
561.24982	34.4
565.28040	0.5
589.24475	0.8
593.27423	4.3
621.27100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04945	1.9
111.81866	2.5
129.02443	2.9
152.88829	2.5
160.71742	2.6
216.14449	2.5
276.67664	3.2
281.08261	4.3
282.08417	3.8
293.60120	3.1
343.22452	3.3
446.21753	3.5
447.21741	12.3
474.20392	16.4
475.21243	22.3
501.22476	5.1
533.25293	11.1
561.25018	58.6
621.27234	100.0
621.44556	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
60.31504	0.9
67.05497	1.6
79.05470	2.3
81.07060	4.3
92.21493	2.0
93.07042	4.4
95.08615	2.6
100.91007	1.0
105.07029	1.9
107.08601	4.0
109.10149	1.2
119.08582	2.0
121.10140	1.4
141.36693	1.1
171.11743	1.2
177.09090	1.3
183.26089	1.1
267.80063	1.0
336.12067	1.5
338.13821	1.3
339.13919	1.2
375.07449	1.2
419.22031	1.2
431.18677	2.3
432.23773	2.1
433.24274	2.0
445.20074	5.0
446.21136	1.6
447.21683	4.2
459.21814	8.8
460.22696	21.2
461.23380	11.5
488.21793	1.3
491.24353	2.0
505.21948	9.9
517.22125	2.1
532.24585	4.9
533.25604	35.0
561.24133	1.8
563.22797	8.3
577.24365	7.9
578.24365	1.2
592.26672	8.3
593.27502	8.6
621.27356	100.0
621.37292	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16212	0.5
67.05503	1.3
71.08625	0.6
79.05499	1.3
81.07056	4.1
91.05495	1.3
93.07043	1.0
95.08611	1.4
97.61773	0.6
105.07050	1.3
106.46949	0.7
107.08591	2.7
109.10169	3.2
117.06992	1.0
119.08572	1.3
120.80222	0.7
121.06492	0.9
121.10128	0.8
125.09705	0.8
131.08519	0.7
133.10129	1.3
137.96544	0.7
140.06754	0.6
145.10106	1.3
149.13365	0.7
157.10063	1.0
159.51126	0.7
273.18463	0.9
431.18628	2.8
433.23972	2.7
445.20282	4.3
446.21371	0.9
447.21814	4.9
459.21899	8.9
460.22610	14.4
461.23376	8.8
473.23422	1.1
487.20825	0.8
491.24567	1.3
503.20926	0.9
504.21143	0.7
505.22055	11.2
517.22253	3.3
519.23334	2.8
532.24164	4.1
533.25696	26.2
547.23120	1.1
561.22339	1.6
563.22705	4.2
564.22943	0.9
564.47626	0.7
577.24542	8.1
591.25787	1.3
592.26788	10.7
593.27625	12.0
603.45703	1.1
621.27234	100.0
638.09082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.307
Annotation	Lotusanine B
Peak:m/z	Relative Intensity
52.37035	2.7
70.43018	2.0
73.57594	2.1
74.35977	1.8
81.81278	2.2
82.79839	2.1
106.89869	2.7
171.44565	2.7
185.09732	2.0
221.52588	2.2
277.22226	2.9
447.22052	4.0
459.21893	3.0
460.22574	21.0
461.23041	18.0
473.23157	3.3
505.22610	3.6
533.25244	17.4
561.28540	45.3
570.47314	2.6
593.27588	3.9
621.30798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3067
Annotation	Lotusanine B
Peak:m/z	Relative Intensity
53.49443	0.5
65.70445	0.6
73.19395	0.6
81.07028	0.6
83.08662	0.6
89.25621	0.6
95.08660	0.6
98.36629	0.7
99.04435	0.7
107.08609	0.7
109.06482	0.6
122.04871	0.5
139.15073	0.6
182.68765	0.7
222.73087	0.7
459.21783	19.8
460.22452	6.1
461.23367	0.9
473.23254	2.5
475.25101	1.1
487.25266	1.2
488.25842	2.9
489.26694	4.4
491.24365	0.8
492.25391	1.2
505.21884	0.9
519.23944	5.3
531.23871	0.9
532.25006	1.4
533.25452	31.8
546.26343	0.9
547.27112	0.9
554.11169	0.7
560.23914	1.0
561.28613	25.7
577.24426	4.1
592.26959	14.1
606.27808	1.0
621.30762	100.0
621.43243	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20034	0.4
51.27060	0.4
53.48663	0.5
59.60453	0.5
70.20169	0.6
76.07079	0.5
120.96291	0.6
182.62909	0.6
182.81821	0.6
216.57294	0.5
314.57285	0.6
367.13464	0.8
473.76801	0.7
559.73669	0.6
621.36084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18948	1.9
53.03947	9.3
55.01881	2.1
55.05515	11.5
57.07089	2.2
62.31295	2.0
67.05505	16.5
67.63138	1.8
69.03429	9.8
69.07053	9.5
73.02914	8.9
79.05485	8.7
81.03413	21.6
81.07059	25.8
81.07468	2.7
83.04990	4.3
83.08624	4.4
85.02892	14.1
91.05483	17.0
93.07043	24.2
95.04947	5.0
95.08605	15.3
97.02879	11.8
97.06506	3.0
97.10141	3.9
99.04449	100.0
99.05084	4.4
105.07014	15.8
107.04960	2.2
107.08570	11.1
109.06535	3.9
109.10168	8.3
111.04414	3.4
117.06982	4.4
119.08598	18.7
121.06493	2.7
121.10120	13.4
123.11712	4.6
126.42714	2.3
127.03924	8.2
129.07007	9.2
131.08577	17.0
133.10109	22.5
135.11688	12.9
141.05460	2.5
141.06989	3.7
143.08592	10.0
145.06465	2.9
145.10127	23.7
147.11679	12.2
149.13217	2.7
157.10123	19.5
159.11708	16.9
161.13246	10.1
169.10092	4.7
171.11699	8.6
173.13229	9.2
181.10071	2.7
183.11646	3.8
185.13258	4.1
187.11124	2.6
187.14809	3.0
197.13278	11.3
211.14645	2.4
241.19466	3.3
259.20551	9.4
273.22156	2.9
283.01993	2.6
283.20328	3.8
301.21686	3.8
313.21823	2.7
336.12030	2.9
339.23306	2.5
339.28699	3.1
349.21555	3.9
367.22763	12.8
375.37839	2.4
465.26221	14.8
465.32751	2.3
483.27472	37.4
501.28406	32.1
515.14081	2.5
519.29681	19.4
603.35791	2.9
621.29083	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02676	0.8
55.05513	0.9
74.65063	1.0
92.20969	1.1
117.05455	1.6
119.68461	0.8
162.46452	1.0
175.55312	0.9
178.08051	1.2
178.96777	0.9
190.04984	1.0
231.76747	0.9
234.02440	1.3
295.05084	1.1
320.09097	1.7
334.10626	1.8
352.09656	1.3
353.10370	1.2
354.11328	2.1
355.11938	4.0
356.12939	1.7
358.06934	4.1
366.11270	6.3
367.11938	7.1
368.09119	16.2
368.13031	1.8
369.09796	7.0
370.10709	26.2
380.08810	1.2
381.09824	1.0
382.10687	6.3
383.11487	15.0
384.12299	77.9
385.13135	7.2
394.10605	4.5
395.11667	11.6
396.08606	59.3
397.09366	1.8
398.13873	4.0
400.11368	1.5
410.10352	17.2
411.10983	83.2
412.07660	2.3
412.12299	2.1
414.09460	6.7
426.13400	58.3
428.11337	8.7
430.12814	7.1
440.07541	6.0
442.12872	6.2
444.14990	8.0
455.10059	9.0
470.12433	25.8
530.14288	1.6
546.11023	1.1
560.19177	64.5
576.18195	1.4
587.48584	1.2
604.18146	100.0
622.26044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70396	5.5
63.95634	5.4
68.24734	5.1
69.52480	4.8
92.21513	7.7
98.93716	5.5
100.76701	5.8
320.09219	32.5
334.10623	27.9
368.09064	10.6
370.10504	13.0
384.12369	64.1
385.13025	8.1
396.08539	40.8
411.10956	76.9
426.13330	50.0
444.13843	6.8
470.12598	22.7
560.19153	62.4
604.18127	100.0
622.30975	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39390	0.6
59.01801	0.6
59.76940	0.5
61.53823	0.5
62.85867	0.6
64.25743	0.6
66.88911	0.6
79.55090	0.5
90.56947	0.7
136.28928	0.6
157.71068	0.6
186.37047	0.6
331.08536	1.0
334.07153	3.4
349.09647	3.0
352.09805	1.5
353.10571	0.9
355.12238	1.5
365.10507	0.9
366.11389	3.8
367.12000	7.8
368.09296	3.1
369.10025	4.4
370.10730	32.7
375.07623	1.0
381.09943	1.1
382.10837	4.9
383.11572	6.6
384.12375	3.4
385.13098	4.4
396.08719	1.1
398.14026	4.2
400.11935	0.7
408.10641	7.5
409.09399	10.0
410.10138	0.8
411.11234	1.4
412.07858	2.7
412.12430	1.5
414.09680	7.1
423.14816	0.9
426.09583	1.2
427.10632	5.5
428.11185	1.2
438.13589	0.8
442.12885	14.3
444.14362	6.2
456.14679	2.3
468.18152	1.2
470.12494	3.5
524.15576	10.7
530.14496	8.7
560.19214	13.9
622.19214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64630	1.9
57.91204	2.0
69.58091	1.5
70.07390	1.6
85.02892	2.0
91.55471	2.1
117.05542	2.0
144.23259	2.1
163.04906	2.1
190.04999	3.6
201.20703	2.0
222.14346	1.9
290.08255	3.4
291.08524	3.5
296.39600	2.0
306.07407	3.5
318.07690	2.6
319.08337	19.5
320.08936	30.0
321.09445	11.5
322.10669	3.5
323.12030	2.7
334.06995	3.9
334.10672	33.0
335.11044	36.5
336.11917	37.6
351.12277	3.6
358.07098	8.0
365.13913	4.7
366.11630	2.7
368.09024	2.9
370.10907	4.2
382.10715	8.4
383.07544	2.7
384.12430	13.8
394.10880	3.1
396.08517	20.8
397.09415	9.7
402.69568	2.3
403.23245	2.2
410.10217	37.4
411.10974	45.8
426.13644	3.9
427.10760	4.5
439.09839	2.6
440.07693	19.3
442.13461	20.2
451.59384	2.4
454.09427	2.7
455.09866	33.1
460.10159	2.7
470.05939	3.9
470.12335	94.2
488.13217	3.8
545.20056	11.5
604.18182	100.0
622.18402	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
71.51878	0.5
73.49805	0.5
88.12988	0.4
126.31041	0.5
168.61049	0.5
180.47069	0.5
194.29471	0.5
330.07626	1.0
331.08359	2.7
334.07285	3.7
340.09720	0.8
342.11246	0.7
348.08780	1.1
349.09448	5.3
352.09937	2.2
353.10565	2.0
355.12015	1.1
356.12747	0.7
366.11411	3.3
367.12009	8.2
368.09103	2.9
368.13086	0.6
369.09921	4.1
370.10721	37.2
370.15393	1.3
375.07465	2.2
378.06128	0.8
381.10199	0.7
382.10712	4.3
383.11539	7.1
384.12384	3.4
385.13092	6.5
396.08633	2.0
398.10620	1.0
398.14166	6.8
400.11719	1.0
408.10794	10.1
409.09488	11.3
410.10245	2.4
411.10986	2.3
412.07587	2.1
412.12054	2.5
414.09732	10.3
423.14795	2.4
426.09756	2.7
427.10339	5.1
428.11441	1.2
438.13559	2.2
442.12814	19.1
444.14450	6.0
456.14371	2.0
468.18265	2.6
470.12537	3.4
494.10474	0.7
509.42709	0.6
524.15448	10.7
530.14484	14.1
560.19116	15.2
622.19177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30056	0.5
76.98338	0.8
80.25343	0.7
150.30389	0.9
205.40994	0.9
288.50858	0.7
294.83524	0.9
307.08426	18.6
307.11639	1.2
320.09189	11.9
321.10083	1.6
322.07681	0.7
322.10614	5.5
331.17773	0.7
334.10968	1.4
335.11502	55.4
346.10794	1.1
376.11890	8.0
386.13895	1.2
420.10837	3.6
430.13080	4.4
442.12872	0.9
444.14499	3.2
446.12509	5.0
457.11038	1.1
458.12659	1.0
470.12122	5.5
470.18317	0.8
472.13849	14.4
473.14975	3.8
484.13663	0.8
485.14685	14.2
496.13742	0.9
500.13449	3.6
512.13641	2.8
513.14398	5.9
542.19861	2.7
543.17102	1.7
544.17609	0.9
548.20325	0.8
558.19153	4.5
561.17743	3.7
576.20178	26.9
578.21674	1.6
586.18634	13.2
604.19653	35.5
622.20746	100.0
653.15308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54239	2.1
60.28932	1.9
82.57448	1.9
89.20609	2.1
196.15147	2.1
224.31035	2.4
294.08063	2.9
308.09116	3.7
309.09982	36.9
310.10498	2.7
320.09180	3.1
322.10751	15.2
324.12323	4.5
334.10638	11.1
336.12299	9.1
337.13034	30.7
363.11157	3.8
364.11917	2.4
378.13272	26.9
444.14569	3.0
472.13824	19.9
522.77014	2.8
548.21387	2.7
576.20227	36.0
604.19684	49.7
622.20795	100.0
622.30328	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69090	0.6
57.05763	0.7
58.06609	94.8
58.57891	0.7
66.14674	0.7
99.04501	0.9
99.88895	0.9
121.06482	0.7
122.51780	0.8
191.08482	5.5
203.08553	1.4
208.08824	1.4
218.07257	1.5
219.07977	8.9
220.08810	5.6
221.09679	3.6
223.11223	3.1
233.09656	4.7
235.07597	1.2
236.08299	18.7
237.09190	1.2
240.54057	1.0
247.07465	8.8
248.08353	7.9
249.05510	4.0
249.09055	1.4
250.09846	1.4
251.10631	17.5
261.09094	1.2
263.07025	1.1
264.07800	15.6
279.10144	32.4
292.09631	1.0
293.83447	0.8
299.05490	1.6
319.08313	7.3
320.09219	5.8
321.09937	4.3
323.14752	1.0
334.10788	11.8
336.12305	13.4
337.12869	1.2
338.13397	1.1
394.39954	1.1
562.12305	1.5
577.14911	5.2
622.20599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69090	0.6
57.05763	0.7
58.06609	94.8
58.57891	0.7
66.14674	0.7
99.04501	0.9
99.88895	0.9
121.06482	0.7
122.51780	0.8
191.08482	5.5
203.08553	1.4
208.08824	1.4
218.07257	1.5
219.07977	8.9
220.08810	5.6
221.09679	3.6
223.11223	3.1
233.09656	4.7
235.07597	1.2
236.08299	18.7
237.09190	1.2
240.54057	1.0
247.07465	8.8
248.08353	7.9
249.05510	4.0
249.09055	1.4
250.09846	1.4
251.10631	17.5
261.09094	1.2
263.07025	1.1
264.07800	15.6
279.10144	32.4
292.09631	1.0
293.83447	0.8
299.05490	1.6
319.08313	7.3
320.09219	5.8
321.09937	4.3
323.14752	1.0
334.10788	11.8
336.12305	13.4
337.12869	1.2
338.13397	1.1
394.39954	1.1
562.12305	1.5
577.14911	5.2
622.20599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65058	0.7
52.88293	0.9
59.53237	0.7
67.42081	0.7
83.13535	0.9
84.53568	0.8
120.82825	0.9
121.06506	2.1
137.05978	1.6
171.06758	0.9
259.09875	1.7
276.06564	1.2
278.08197	5.1
290.08023	6.8
291.08868	11.9
292.06125	1.3
292.09561	1.3
304.06149	4.7
306.07620	34.0
307.08356	15.2
308.09210	1.6
318.07739	6.5
319.08389	21.4
320.05579	8.8
320.09210	13.3
321.09860	11.4
322.07162	6.0
322.10809	16.6
334.07101	4.6
334.10663	23.0
335.07880	10.2
335.11496	5.6
336.12323	21.2
350.10233	33.0
386.10144	1.9
392.86368	1.0
432.11075	1.0
450.98688	1.2
456.14227	1.5
470.12482	1.2
588.16333	1.1
622.20819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18647	0.7
52.74161	0.7
54.16947	0.6
55.05518	3.9
55.46017	0.6
59.99907	0.6
63.92599	0.7
69.03430	1.6
71.04984	4.3
85.02916	4.8
87.04459	3.0
99.04456	11.9
116.72237	0.8
116.73061	0.7
117.05491	14.8
120.55618	0.7
121.06504	1.5
123.08089	1.0
129.56535	0.8
138.06833	1.4
138.97630	0.7
146.06186	0.7
149.06084	0.7
151.02112	5.3
151.07535	16.4
153.09116	15.9
153.63240	0.9
166.06242	21.1
180.02339	1.1
181.08585	93.5
182.03931	5.5
189.03784	1.6
191.07062	1.6
194.05861	1.1
207.04744	8.3
209.08170	3.3
221.06371	3.8
267.06802	21.7
284.49564	0.9
308.09155	1.8
318.07565	1.3
319.08466	4.9
320.09167	5.1
334.10733	12.4
335.11472	1.5
336.12228	1.1
336.96667	0.9
383.11554	40.4
414.15866	1.4
622.23230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62078	0.4
55.05521	6.4
60.30621	0.3
63.51358	0.5
65.65652	0.4
69.03413	0.9
71.04997	4.3
84.65081	0.4
85.02911	5.0
87.04455	2.4
99.04452	9.6
107.23974	0.4
111.17687	0.4
117.05479	12.5
121.06486	1.9
122.07320	0.7
123.08031	0.6
135.07977	0.5
136.05165	1.1
138.06740	2.9
146.05896	0.4
149.00557	0.4
149.05890	0.5
150.06761	0.7
151.02132	5.1
151.06613	0.4
151.07539	14.7
153.09096	16.2
163.07584	0.5
164.07079	0.6
166.06245	18.0
179.09384	2.0
180.02382	0.6
181.08585	95.5
182.03954	4.6
183.04675	0.6
188.08293	0.6
189.03665	2.0
191.07082	0.7
193.03239	0.5
194.05756	1.7
207.04723	7.6
209.08096	3.4
221.06345	3.6
234.08838	0.6
249.05753	0.8
267.06836	23.7
276.06357	0.4
282.19617	0.5
291.10568	1.0
308.09286	0.8
310.17789	0.5
318.07397	0.5
319.08386	2.3
320.09042	4.8
322.10406	0.8
334.10678	5.1
335.11081	0.5
336.12210	0.7
383.11557	37.5
622.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05441	0.6
53.25860	0.6
63.53915	0.6
85.02941	0.8
91.08220	0.7
99.04472	1.0
101.76231	0.7
137.06029	2.9
140.38518	0.7
142.32489	0.7
147.04471	1.5
149.06039	1.0
162.05533	0.8
164.07092	1.5
167.07025	15.5
175.04066	1.1
179.07086	1.0
181.04999	1.1
207.06483	1.2
207.08156	1.5
235.07466	11.8
247.69122	0.7
249.05630	1.1
252.07884	0.7
253.08586	5.4
262.06284	5.9
262.08734	1.1
263.07031	21.8
264.24658	0.7
267.10175	1.6
277.05063	1.1
277.08566	0.8
279.06409	1.8
279.09045	1.1
280.07288	4.9
280.09949	4.2
281.08096	17.6
282.09021	1.5
290.05789	3.8
291.06543	2.9
294.05066	1.2
294.07877	1.1
295.06207	1.1
295.09698	4.7
298.08405	2.9
307.08646	1.6
308.06488	12.2
308.09967	1.0
309.07474	12.4
310.07693	1.4
313.10675	12.0
323.09137	37.4
325.09412	6.4
326.07880	9.8
329.10162	1.2
330.13403	5.8
340.11856	10.6
341.10120	29.6
358.12885	30.0
520.18286	5.3
520.39294	0.8
535.18250	0.8
596.76923	0.8
622.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05441	0.6
53.25860	0.6
63.53915	0.6
85.02941	0.8
91.08220	0.7
99.04472	1.0
101.76231	0.7
137.06029	2.9
140.38518	0.7
142.32489	0.7
147.04471	1.5
149.06039	1.0
162.05533	0.8
164.07092	1.5
167.07025	15.5
175.04066	1.1
179.07086	1.0
181.04999	1.1
207.06483	1.2
207.08156	1.5
235.07466	11.8
247.69122	0.7
249.05630	1.1
252.07884	0.7
253.08586	5.4
262.06284	5.9
262.08734	1.1
263.07031	21.8
264.24658	0.7
267.10175	1.6
277.05063	1.1
277.08566	0.8
279.06409	1.8
279.09045	1.1
280.07288	4.9
280.09949	4.2
281.08096	17.6
282.09021	1.5
290.05789	3.8
291.06543	2.9
294.05066	1.2
294.07877	1.1
295.06207	1.1
295.09698	4.7
298.08405	2.9
307.08646	1.6
308.06488	12.2
308.09967	1.0
309.07474	12.4
310.07693	1.4
313.10675	12.0
323.09137	37.4
325.09412	6.4
326.07880	9.8
329.10162	1.2
330.13403	5.8
340.11856	10.6
341.10120	29.6
358.12885	30.0
520.18286	5.3
520.39294	0.8
535.18250	0.8
596.76923	0.8
622.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
82.29822	0.3
90.62611	0.4
109.15788	0.4
113.21770	0.4
145.14841	0.4
182.61511	0.3
190.06706	0.4
201.47311	0.4
211.96091	0.4
263.40106	0.4
292.09595	10.4
304.09647	1.6
306.07578	3.5
320.09140	12.2
321.09924	29.7
334.10541	0.4
336.12271	100.0
337.12524	0.8
338.13470	1.7
473.81070	0.4
622.30109	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
82.29822	0.3
90.62611	0.4
109.15788	0.4
113.21770	0.4
145.14841	0.4
182.61511	0.3
190.06706	0.4
201.47311	0.4
211.96091	0.4
263.40106	0.4
292.09595	10.4
304.09647	1.6
306.07578	3.5
320.09140	12.2
321.09924	29.7
334.10541	0.4
336.12271	100.0
337.12524	0.8
338.13470	1.7
473.81070	0.4
622.30109	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75439	0.2
61.21039	0.3
68.35519	0.3
70.82840	0.3
72.76118	0.3
98.85521	0.3
176.07039	0.7
200.16602	0.3
202.64676	0.3
280.94077	0.3
290.07956	0.5
292.09647	3.0
315.17816	0.3
318.07843	0.3
319.08493	0.6
320.09171	100.0
321.09851	0.6
322.10007	0.3
334.10623	1.4
336.12247	2.5
357.10095	0.3
622.26514	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75439	0.2
61.21039	0.3
68.35519	0.3
70.82840	0.3
72.76118	0.3
98.85521	0.3
176.07039	0.7
200.16602	0.3
202.64676	0.3
280.94077	0.3
290.07956	0.5
292.09647	3.0
315.17816	0.3
318.07843	0.3
319.08493	0.6
320.09171	100.0
321.09851	0.6
322.10007	0.3
334.10623	1.4
336.12247	2.5
357.10095	0.3
622.26514	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08902	0.3
63.94217	0.3
92.21506	0.5
97.00134	0.3
113.33563	0.3
152.86348	0.4
199.56438	0.3
212.66705	0.3
237.05231	0.4
290.08209	0.5
292.09641	3.2
308.09265	0.4
314.06900	0.4
318.07471	0.4
319.08414	0.9
320.09167	100.0
321.09836	3.4
322.10318	0.5
334.10638	2.8
336.08386	0.5
336.12253	13.9
338.13547	0.4
537.96558	0.4
589.27539	0.4
622.26520	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23424	3.0
76.34343	3.4
82.33347	3.3
113.00996	3.3
113.01994	3.3
128.74083	3.3
142.36206	3.6
159.60269	3.7
167.16965	3.5
309.27798	3.7
330.33972	3.7
343.55527	4.1
461.19543	6.1
462.20245	5.3
475.21298	16.3
476.22119	6.6
477.22418	6.0
531.51086	3.8
535.23889	4.5
548.23193	4.2
563.26501	14.7
622.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14614	3.1
55.54659	3.9
60.36041	4.2
99.93318	5.4
104.77763	4.4
134.61203	4.2
144.96408	4.8
243.85965	4.1
267.41660	5.0
475.21249	22.4
476.21957	6.1
477.22821	6.4
489.22028	4.9
622.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
57.03453	0.6
60.52487	0.5
61.58483	0.5
62.46407	0.6
63.19173	0.5
64.87710	0.5
65.47723	0.6
79.05500	0.9
81.03418	0.7
81.07072	1.2
83.50286	0.6
85.02936	0.7
91.05493	0.9
93.07069	1.2
95.08657	0.9
99.04452	3.2
121.10186	0.9
121.66342	0.6
122.39440	0.7
133.10175	1.0
321.10318	0.7
336.12537	1.4
373.65277	0.7
420.82086	0.6
436.15414	1.3
452.15353	2.1
464.14993	0.9
478.16516	2.7
484.27792	1.0
492.17862	1.4
502.29089	0.7
521.74744	0.7
536.24353	1.3
548.24915	1.4
550.26447	0.8
561.25250	1.0
564.23724	10.5
578.25385	11.6
592.23199	10.9
594.28351	1.4
606.24786	14.3
607.25665	2.9
622.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92572	0.7
55.05532	0.8
55.73071	0.7
58.06608	65.8
63.88585	0.8
69.03442	1.8
71.05008	1.2
81.03419	0.9
83.04999	2.0
85.02922	3.8
90.43214	0.8
97.02916	1.2
99.04482	1.0
100.86987	0.8
101.06051	3.8
112.74974	0.8
143.03572	0.9
187.07655	0.8
190.08679	4.9
191.08821	1.7
192.10263	1.5
207.08109	1.3
209.09607	1.1
219.08171	3.5
222.06882	1.4
233.05940	1.2
237.09068	11.3
247.07639	2.0
251.10870	1.1
265.08566	49.6
271.09839	1.1
279.10403	1.8
282.08829	12.9
287.58566	0.9
296.10590	1.0
297.11203	47.5
299.13007	1.6
342.17191	3.5
362.11246	1.0
373.13467	1.4
413.29214	0.9
460.23001	9.7
622.28815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29862	0.3
55.05514	0.4
58.06610	66.1
62.24564	0.4
69.03426	0.4
71.05001	0.6
73.02940	0.4
81.03425	0.8
83.04997	2.1
85.02917	4.3
86.49681	0.4
97.02904	0.7
101.06038	3.4
104.77608	0.4
127.03943	0.8
147.04510	1.0
191.08553	1.5
200.98840	0.5
209.09653	1.0
219.08081	2.8
222.06851	1.8
233.05980	0.9
235.07556	2.0
237.09117	8.2
247.07703	1.0
250.06085	0.5
255.10263	0.9
265.08588	45.2
267.10196	0.9
269.11743	0.7
270.95813	0.4
279.10233	3.0
282.08832	12.6
284.10486	1.7
296.10486	1.8
297.11206	44.4
299.12683	3.5
313.46024	0.5
340.15591	0.7
341.16330	0.5
342.16995	4.1
442.21960	0.5
460.23373	7.5
622.28625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	64.2
62.44664	0.4
69.03437	0.6
71.05002	1.0
73.71648	0.5
81.03412	0.6
83.05003	2.5
85.02908	3.5
87.10144	0.5
97.02914	0.8
99.04468	0.9
101.06014	4.2
107.80472	0.5
109.02920	0.5
120.75512	0.5
127.03920	0.5
147.04477	2.6
153.62430	0.4
175.26442	0.5
191.08598	0.8
207.08200	0.6
209.09647	1.0
219.08154	1.9
222.06863	0.9
237.09122	9.1
237.11185	0.6
247.07782	0.7
265.08582	43.0
267.10257	0.6
268.36621	0.5
277.08682	0.6
279.10159	4.7
282.08859	12.5
284.10443	0.5
296.10483	2.0
297.11218	41.2
299.12863	3.1
342.17065	4.0
442.22342	1.0
460.23242	8.0
604.22113	0.5
622.28644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69840	0.5
51.39194	0.4
55.05531	0.6
58.06608	60.2
67.05513	0.6
69.03453	0.8
70.06593	0.6
71.96569	0.5
81.03451	0.5
83.04998	2.3
85.02921	3.6
97.02915	1.3
99.04457	2.2
101.06004	4.4
108.20182	0.5
117.69351	0.6
118.62554	0.6
127.03884	1.3
136.06230	0.7
147.04425	0.5
157.30069	0.7
163.03940	0.9
209.09708	0.8
219.08174	1.0
219.10146	0.6
233.06111	0.6
235.07802	0.9
237.09077	8.8
247.07536	0.8
265.08582	45.0
267.10272	1.0
269.11792	0.8
279.10269	3.0
282.08884	11.2
284.10938	0.6
296.10583	1.2
297.11191	41.5
299.12833	1.2
340.15512	1.0
341.16418	0.7
342.16998	4.4
426.88174	0.7
460.23456	2.8
622.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69840	0.5
51.39194	0.4
55.05531	0.6
58.06608	60.2
67.05513	0.6
69.03453	0.8
70.06593	0.6
71.96569	0.5
81.03451	0.5
83.04998	2.3
85.02921	3.6
97.02915	1.3
99.04457	2.2
101.06004	4.4
108.20182	0.5
117.69351	0.6
118.62554	0.6
127.03884	1.3
136.06230	0.7
147.04425	0.5
157.30069	0.7
163.03940	0.9
209.09708	0.8
219.08174	1.0
219.10146	0.6
233.06111	0.6
235.07802	0.9
237.09077	8.8
247.07536	0.8
265.08582	45.0
267.10272	1.0
269.11792	0.8
279.10269	3.0
282.08884	11.2
284.10938	0.6
296.10583	1.2
297.11191	41.5
299.12833	1.2
340.15512	1.0
341.16418	0.7
342.16998	4.4
426.88174	0.7
460.23456	2.8
622.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3007
Annotation	Rugosanine B
Peak:m/z	Relative Intensity
50.52468	0.6
67.05501	1.8
69.07086	0.8
75.51965	0.7
81.07059	2.0
83.65773	0.8
84.36060	0.8
91.05482	1.7
93.07052	1.5
107.08614	2.0
132.04477	1.2
134.06007	1.4
136.05229	4.4
146.06071	0.8
148.05208	5.9
149.05988	15.7
158.56439	0.9
162.05545	1.4
165.05548	1.3
174.05519	3.1
175.06271	5.8
176.07065	41.2
176.08507	1.7
177.07849	10.9
188.08337	1.2
189.74303	0.8
192.06548	56.7
194.08189	12.5
201.09106	10.6
203.08580	0.7
215.10936	1.1
225.09151	1.6
227.10667	1.9
231.10220	4.7
232.07323	1.6
239.10742	1.7
247.09599	1.5
253.12253	1.8
271.09723	3.7
320.09140	6.5
321.05826	1.0
321.09918	1.9
334.19321	1.0
336.12201	12.1
337.12888	1.1
395.22498	1.2
423.21945	1.4
459.49323	0.9
544.27612	1.1
581.81726	0.8
622.06018	4.2
622.30188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3012
Annotation	Rugosanine B
Peak:m/z	Relative Intensity
52.14140	0.4
53.12526	0.4
58.06584	0.7
59.65155	0.4
67.05476	0.5
75.22464	0.5
80.61731	0.4
81.07037	0.8
95.08565	0.8
95.60739	0.5
99.04436	0.6
106.47501	0.5
109.10088	0.9
159.41736	0.5
292.09659	8.3
302.70908	0.5
304.09476	0.7
306.07474	3.2
320.09192	9.8
321.06085	1.1
321.09924	32.0
334.10751	2.1
335.11386	1.1
336.12289	100.0
337.12848	0.8
338.13602	1.2
352.15225	0.9
515.92126	0.5
590.21216	0.5
622.30115	54.7
646.31519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66867	0.3
67.05499	0.5
81.07064	0.6
95.08561	0.4
101.50984	0.4
115.05396	0.4
242.97644	0.4
277.50800	0.4
292.09717	3.3
294.61258	0.4
318.07605	0.7
320.09177	100.0
334.10751	0.8
622.31543	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01873	0.4
55.05491	0.4
56.21318	0.4
57.07077	0.5
62.32814	0.4
67.05501	2.5
67.48920	0.4
69.03433	7.5
69.07091	0.5
71.04982	1.9
79.05538	0.6
81.03428	6.5
81.07063	3.7
83.08623	0.8
85.02908	12.1
93.07038	0.7
95.08610	2.5
97.02891	100.0
98.76460	0.6
99.04453	3.7
109.02853	5.1
115.03864	0.5
121.10151	0.5
123.11818	0.5
127.03915	11.5
133.10153	0.7
145.04929	5.8
183.26726	0.5
320.09256	1.0
334.10840	2.3
359.25760	0.8
371.25824	0.5
377.26932	0.8
389.26822	1.0
407.27954	2.7
425.28943	23.4
622.35486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01876	7.9
55.05520	3.7
57.07061	3.6
67.05511	28.5
69.03425	17.0
69.07076	7.2
71.89213	3.5
81.03412	26.6
81.07068	32.8
83.08618	5.7
84.83430	3.8
85.02911	6.8
91.05482	4.8
93.07037	8.2
95.08601	22.1
97.02899	21.8
97.10183	7.3
99.04474	45.6
107.08601	6.7
109.02859	33.8
109.10147	18.1
123.11729	5.9
127.03908	72.2
133.10143	7.2
145.04933	7.2
149.13231	4.7
163.14896	4.9
263.23877	5.4
320.09140	29.0
334.10724	5.9
371.25912	13.6
407.27719	5.6
425.29041	100.0
472.57990	3.7
544.57660	4.0
650.54431	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
55.05516	6.1
56.26194	1.0
57.07082	2.1
67.05513	25.8
69.03445	9.5
69.07079	11.3
71.04991	5.2
73.02904	2.4
77.86175	1.0
79.05502	8.2
81.03419	6.0
81.07063	41.6
81.07553	1.5
81.47591	1.1
83.08646	11.4
84.19363	1.3
85.02900	10.4
85.10179	1.2
87.04434	1.4
91.05496	2.8
93.07069	9.5
95.08604	33.0
97.02893	67.0
97.06548	2.6
97.10165	8.7
99.04462	27.7
99.08117	2.0
105.07046	4.9
107.08604	10.8
109.02858	12.1
109.10152	16.5
111.11757	2.0
116.02426	1.2
119.08582	4.8
121.10139	9.7
123.11718	12.5
127.03912	22.2
133.10150	6.3
135.11713	6.3
137.13283	2.4
144.11472	1.4
145.04968	9.9
147.11700	2.6
149.13310	4.6
161.13246	6.9
163.14787	2.0
175.14822	4.8
243.63225	1.3
245.22656	8.5
261.22049	1.3
263.23715	16.9
320.09177	9.6
328.54544	1.6
329.06674	1.9
359.25998	1.3
371.25729	1.8
389.26965	2.8
407.27548	1.6
425.28983	100.0
454.93124	1.5
487.42838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01876	7.9
55.05520	3.7
57.07061	3.6
67.05511	28.5
69.03425	17.0
69.07076	7.2
71.89213	3.5
81.03412	26.6
81.07068	32.8
83.08618	5.7
84.83430	3.8
85.02911	6.8
91.05482	4.8
93.07037	8.2
95.08601	22.1
97.02899	21.8
97.10183	7.3
99.04474	45.6
107.08601	6.7
109.02859	33.8
109.10147	18.1
123.11729	5.9
127.03908	72.2
133.10143	7.2
145.04933	7.2
149.13231	4.7
163.14896	4.9
263.23877	5.4
320.09140	29.0
334.10724	5.9
371.25912	13.6
407.27719	5.6
425.29041	100.0
472.57990	3.7
544.57660	4.0
650.54431	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84290	0.9
55.93083	0.9
56.05035	5.7
58.89163	0.9
62.99215	0.9
63.77319	0.9
67.05497	4.1
69.07072	4.3
73.25673	1.0
80.55022	1.1
81.07058	5.4
83.08633	2.1
95.08609	5.7
97.10161	1.7
106.67229	1.0
109.10155	11.7
115.63638	1.0
119.08515	1.6
135.68468	1.0
137.09633	5.1
140.10678	3.7
153.13849	2.7
154.12267	100.0
157.13306	1.7
168.13820	6.5
168.52905	1.2
171.14917	46.2
182.15372	8.6
185.16444	1.7
185.40753	1.2
199.18105	1.3
201.74420	1.1
253.30904	1.2
305.02884	1.1
323.23245	2.5
324.21527	1.5
334.10599	1.6
341.24359	28.2
435.39456	26.8
509.66486	1.1
622.34259	1.9
622.47864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1903
Annotation	Dioonflavone
Peak:m/z	Relative Intensity
58.05760	0.5
58.06591	0.7
63.65875	0.5
69.18597	0.6
70.06579	0.6
70.18026	0.5
74.36839	0.5
81.58002	0.6
81.88833	0.5
85.02895	1.0
109.71874	0.6
112.31274	0.7
112.37582	0.6
131.21834	0.6
142.03738	0.6
149.05991	3.9
155.01633	1.4
157.91269	0.7
167.01564	1.0
183.01079	2.5
183.34557	0.6
188.07063	72.2
189.07872	9.2
190.08604	7.8
192.10204	3.6
195.07932	0.6
195.15974	0.7
204.06555	1.0
206.08116	41.2
206.11636	6.9
236.03693	5.1
239.03748	1.3
255.03319	1.5
256.06509	0.7
258.91382	0.6
268.07217	1.0
272.05960	3.7
291.06519	1.0
292.07199	2.6
301.05359	1.1
313.05234	1.0
323.03778	6.7
325.05234	2.5
341.04657	1.3
354.07986	3.4
356.09479	13.1
366.02939	0.7
372.08826	1.3
374.10458	6.3
391.14645	0.8
443.12488	5.7
461.13730	10.2
623.18970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07560	0.4
69.03408	0.8
70.06605	0.6
72.86429	0.4
73.65608	0.4
81.03426	0.6
85.02906	2.4
92.61003	0.4
97.02899	0.9
133.40810	0.5
139.02127	0.8
149.05908	3.4
155.01653	0.5
167.01605	2.2
176.07141	0.5
178.08559	1.0
179.01712	0.5
183.01128	2.5
188.07068	71.5
189.07845	7.4
190.08589	6.3
192.10257	2.5
202.08736	0.5
204.06592	2.0
206.08130	34.8
210.05905	0.5
236.03748	5.6
239.03641	1.0
255.03227	0.8
256.06329	1.0
267.04605	0.5
271.04395	0.6
272.05801	3.2
280.07300	0.9
281.06927	1.0
282.07233	1.8
286.07242	0.6
291.06607	1.8
292.07135	3.1
295.04257	0.7
301.05432	0.7
313.05374	1.0
314.06650	0.9
315.06924	1.0
322.10925	0.6
323.03680	8.7
323.11386	0.6
325.05417	1.0
354.07913	1.9
356.09537	10.4
368.99652	0.5
372.09021	0.5
374.10635	6.3
443.12692	5.9
461.13583	11.6
614.61945	0.4
623.19012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.25
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
51.83500	0.6
55.05507	0.9
67.05514	0.9
77.54099	0.7
77.65666	0.8
81.07076	1.6
89.93433	0.7
91.05520	1.3
93.07050	1.5
95.08630	1.7
97.99106	0.7
99.04466	0.8
105.07019	1.3
107.08582	1.4
109.10184	0.9
119.08579	1.2
131.91866	0.8
133.10141	1.2
145.10150	1.3
171.62909	0.9
183.11763	0.8
193.57486	0.9
203.36922	0.8
210.73918	0.8
321.55127	0.9
331.15927	4.9
349.16891	3.4
419.22400	1.8
423.06573	0.9
433.20099	1.1
446.21191	4.7
447.21622	3.6
461.16260	1.3
463.21475	4.1
476.18512	1.0
477.19290	3.8
489.19281	1.7
490.19882	13.5
491.20587	14.2
503.20822	4.1
505.22433	1.2
506.23416	1.6
517.22748	1.1
519.24030	16.8
522.22467	1.0
535.18927	6.0
547.23944	1.1
563.22961	30.0
579.26001	4.5
591.22717	1.3
605.24060	1.7
623.25049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.0
55.05506	0.9
57.29083	0.7
57.38435	0.7
67.05520	1.6
79.05501	1.1
81.03432	2.0
81.07048	1.4
83.04982	1.6
85.02912	1.1
93.07069	1.0
93.45863	1.0
95.08577	1.4
99.04465	13.0
102.39449	1.1
119.08615	1.0
127.03940	1.4
133.09035	0.9
160.69403	0.9
163.60147	1.0
182.31856	1.2
319.88391	0.9
338.73758	1.1
407.22577	1.1
435.21930	2.2
443.22855	2.0
458.20889	2.1
463.20966	1.7
471.21951	10.5
472.19009	1.3
473.19189	1.5
474.20786	2.0
475.21640	2.3
480.25098	1.0
485.20096	1.7
486.20502	7.0
489.23462	7.8
490.20303	5.6
491.20728	2.2
499.21375	20.7
500.18326	1.6
501.23129	6.7
503.20920	2.2
507.24130	1.4
511.21893	1.4
517.22430	16.4
518.22607	1.8
527.21112	1.9
529.22729	10.3
535.23315	2.2
536.24298	1.5
545.21741	30.5
563.22644	1.6
564.23834	1.9
573.21130	7.5
580.88776	1.0
605.23920	37.2
623.25012	100.0
623.40729	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11382	0.6
67.05531	1.0
78.91024	0.7
79.05494	1.3
81.07063	2.9
91.05462	1.2
93.07047	3.3
95.08606	1.7
97.76144	0.6
100.07429	0.7
101.24189	0.7
101.33659	0.6
105.07085	0.9
107.08619	0.7
119.08585	0.9
121.10155	1.1
123.98451	0.7
131.08606	1.4
137.09697	0.7
147.11737	0.7
183.11751	0.9
224.04128	0.8
430.22281	1.1
434.21036	1.1
435.21939	1.5
443.22171	0.9
444.19669	1.2
458.21387	1.2
461.19324	1.2
462.20621	2.9
471.22113	7.1
472.18173	0.9
473.19302	1.3
474.20563	1.1
475.16739	1.0
476.18741	1.2
477.19489	0.9
485.19928	1.5
486.20740	1.0
488.22119	1.1
489.23618	6.7
490.19949	6.3
491.20953	4.6
499.21207	12.8
500.17856	1.0
501.23209	5.5
502.19901	1.4
503.20789	5.6
507.24277	1.0
511.21225	1.5
513.19299	4.6
514.19757	1.1
516.21661	1.0
517.22485	15.1
518.22491	1.0
527.20868	1.6
529.22479	6.7
531.20477	3.0
535.23529	4.5
545.21741	14.7
563.23035	2.5
564.24109	1.3
573.21503	3.5
577.24298	1.6
591.22906	1.0
605.23999	13.8
623.25006	100.0
623.42114	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.07057	0.9
67.05510	6.3
68.66154	0.9
69.07085	1.8
77.61089	1.0
79.05502	2.6
81.07057	9.0
83.08648	1.3
91.05482	1.9
93.07050	4.6
95.04936	1.3
95.08611	8.1
97.06551	1.2
105.07078	1.7
107.08618	2.6
109.06508	1.1
109.10175	4.0
110.21471	1.1
119.08633	2.1
121.10183	4.4
133.10126	1.6
135.11702	1.6
135.63368	1.1
145.10152	1.3
159.11827	1.3
161.13326	1.4
165.60045	1.1
194.14989	1.1
194.29182	1.2
334.10660	2.5
421.20206	4.7
434.21664	1.3
435.21942	1.8
449.19745	18.0
462.19995	1.4
463.21228	12.4
464.21982	2.7
476.18613	2.4
477.18442	13.0
478.22556	1.3
487.21851	1.9
490.20068	1.5
491.20752	19.8
507.19940	1.5
519.24048	1.9
521.21967	6.9
522.22552	1.8
535.23785	4.2
536.24280	7.1
547.23517	6.6
549.21710	7.8
550.21948	2.6
564.23682	24.7
605.23804	2.6
623.25037	100.0
623.38574	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40545	2.1
57.75043	2.3
64.76679	2.5
65.63340	2.2
65.63767	2.2
66.89834	2.4
67.05512	3.4
83.08591	3.8
86.51818	2.9
90.56020	2.6
131.53528	2.7
141.04588	2.8
302.40421	2.6
318.65125	2.7
465.84473	2.7
489.18942	3.4
490.20102	21.4
501.22672	4.1
517.21893	3.2
545.22241	5.2
573.21222	10.1
605.25916	4.7
623.24963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19182	0.6
59.09546	0.6
61.34189	0.7
67.05509	3.0
69.07062	0.9
77.71336	0.7
81.07064	3.5
91.05526	1.0
93.07059	1.3
95.04970	0.9
95.08598	1.4
97.06554	1.0
97.10116	0.9
98.09789	0.7
100.67986	0.6
105.07056	1.7
107.04966	0.6
107.08614	1.4
109.10147	1.3
121.10131	1.3
133.10136	1.1
137.09584	0.8
145.10213	0.9
147.11694	1.2
159.98413	0.7
212.06769	0.7
224.11346	0.8
246.38148	0.8
254.24414	0.8
257.18958	0.8
277.68900	0.8
382.84143	0.8
433.24228	1.3
462.20404	1.1
477.22916	11.8
489.19125	4.3
490.19846	11.6
491.20355	13.9
492.25177	1.2
501.22806	1.6
502.20264	3.8
503.20557	1.3
517.19141	4.1
519.24213	1.5
521.21777	1.6
529.22699	3.1
530.19464	4.5
535.23340	1.2
536.24304	10.1
545.21631	7.6
547.23541	3.0
573.21405	3.8
605.22980	1.4
623.24982	100.0
623.40729	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2499
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
50.87809	1.0
51.26156	1.1
53.03947	1.4
53.72852	1.1
55.05512	1.6
57.15639	1.2
58.87032	1.2
67.05500	2.9
69.07072	1.2
72.41085	1.4
81.07064	6.3
83.08615	1.5
86.39829	1.2
91.05467	1.7
93.07060	5.0
95.08618	2.2
99.04464	9.2
105.07026	2.3
107.08605	2.1
109.06541	2.6
109.10151	1.6
133.10141	1.9
135.11739	2.2
145.10088	1.8
393.89612	1.9
447.21918	1.7
477.19348	1.5
490.20300	7.9
491.20917	10.6
506.23514	2.3
519.24036	2.9
520.21161	1.7
521.21826	2.4
534.22717	2.0
535.23016	1.9
545.21564	2.8
548.20306	2.0
549.21472	2.1
563.22919	33.5
579.22504	9.0
608.22577	8.9
623.25012	100.0
623.43353	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20589	3.6
251.10695	4.7
296.77393	4.3
476.22137	46.0
545.25671	47.0
563.26514	27.2
623.28082	100.0
623.37799	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.49439	0.5
61.07955	0.5
66.02994	0.6
85.62964	0.6
98.98267	0.6
126.54933	0.7
148.48213	0.7
164.34505	0.8
167.06905	0.7
381.27682	0.7
420.23514	1.0
433.20337	5.1
446.21164	1.0
447.21371	4.7
448.22662	0.8
458.20914	8.1
459.21771	4.8
460.22531	8.0
462.20987	0.9
463.21469	3.9
476.22256	1.2
477.22958	2.3
485.23886	1.3
486.24615	0.7
490.20166	2.7
503.24850	1.2
507.27133	0.7
517.22754	0.7
517.26221	0.7
518.22913	6.9
519.24646	0.7
521.21649	2.3
531.24316	1.1
533.25476	14.8
533.32886	1.1
535.27600	2.9
545.25696	7.9
546.26880	1.0
563.26367	7.1
573.24908	0.9
577.28131	1.0
605.27643	18.7
611.17102	0.8
623.28760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24459	0.6
53.43804	0.6
62.10143	0.8
63.76063	0.9
67.05528	1.1
70.82488	0.7
73.17807	0.8
73.36512	0.7
79.05495	1.5
81.07088	1.8
85.91827	0.7
91.05517	0.7
93.07030	1.4
97.06572	0.8
119.08645	0.9
122.50423	0.8
149.06210	0.8
166.20857	0.7
173.13393	0.8
214.09473	0.8
228.12672	0.7
264.71121	0.9
318.97464	0.8
444.23434	1.2
445.24457	1.6
447.22150	1.5
448.22754	3.8
458.25043	2.9
459.21967	1.6
460.22659	1.7
463.21201	11.1
471.21860	1.1
472.22491	6.8
473.23584	5.2
474.24881	0.9
475.21350	9.0
476.22098	3.8
477.23111	5.3
485.23135	8.7
486.24091	1.1
487.25287	6.9
489.23395	1.8
490.23154	1.1
491.25195	1.1
503.24503	5.2
517.26263	6.1
518.23279	1.3
521.21655	1.3
531.23914	8.0
534.22882	1.1
535.23328	1.8
545.25525	63.1
563.26636	20.7
577.25171	4.7
591.24597	1.0
605.23999	10.2
623.28748	100.0
623.38062	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
73.07959	2.8
89.06042	3.6
138.82253	3.6
171.00436	3.6
277.52039	3.3
407.21979	3.8
421.23489	11.4
458.24582	4.8
472.22827	3.6
476.21841	4.7
485.23404	15.2
517.26007	4.0
535.26489	5.1
545.25476	49.7
573.25311	11.9
605.27386	17.4
623.28558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
63.46419	0.6
67.05512	1.4
69.07078	0.7
70.06612	0.7
73.68056	0.7
73.68530	0.7
79.05495	1.2
81.03466	0.8
81.07049	1.3
84.34555	0.7
91.05489	0.9
92.21007	1.0
92.21469	0.9
93.07033	1.8
95.08590	1.6
97.02880	1.0
99.04449	1.0
105.07044	0.8
107.08598	1.1
121.10114	1.6
135.11731	0.9
145.10077	0.8
147.11690	1.0
159.11642	0.8
269.66330	0.8
341.63800	0.8
419.22110	1.4
433.20557	1.4
444.19214	1.0
445.20020	6.3
446.21069	5.0
447.22174	6.5
449.23282	0.8
457.19955	1.1
459.21747	4.6
461.19800	0.9
462.20486	0.9
463.21164	1.7
473.23407	3.6
475.21024	4.0
476.22128	9.1
477.22864	9.7
489.22864	1.7
490.19147	1.0
491.20547	1.4
499.20975	1.5
501.22650	0.8
503.20892	1.4
504.03717	0.8
505.22021	1.1
517.20941	0.8
518.23669	1.4
521.21808	3.9
533.25513	28.2
545.21454	3.2
563.26831	30.5
593.27472	7.9
605.24231	3.6
623.28748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24005	0.5
52.51423	0.5
54.58231	0.6
65.83448	0.5
71.08646	0.8
75.41997	0.6
89.06035	2.6
124.61908	0.5
133.08617	0.8
145.36279	0.6
155.17451	0.6
407.22253	7.7
421.23788	7.6
422.24692	4.4
430.22183	0.8
435.21420	0.8
444.23108	4.5
448.26505	0.8
450.28143	0.7
456.19363	0.9
457.23911	2.8
458.24951	7.0
459.21658	8.4
460.22531	0.9
463.21118	0.9
472.22598	7.4
473.23590	3.5
475.20773	4.5
476.20950	4.6
477.22375	5.0
485.23532	19.6
486.20822	4.7
487.21140	0.8
488.21869	0.9
489.22736	1.2
499.21408	4.4
500.22220	3.4
502.23630	1.3
503.24390	10.4
504.25024	1.0
507.23660	0.9
508.28482	1.3
513.22723	4.7
514.23853	1.5
515.23920	1.0
517.26245	9.9
529.26147	3.0
531.24152	1.0
535.27240	7.6
545.25500	81.3
562.25806	0.9
564.27338	1.3
573.24896	21.7
605.27570	31.7
623.28607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61097	1.2
57.01632	1.1
67.05517	2.1
73.36711	1.2
79.79698	1.3
81.07071	2.0
83.20049	1.3
90.04097	1.3
95.08636	1.9
118.32095	1.4
119.48642	1.4
138.22015	1.4
149.17818	1.3
166.57979	1.8
187.40219	1.6
199.20457	1.7
281.94934	1.8
623.37677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07191	0.4
55.05516	0.4
55.26029	0.4
55.52221	0.4
55.88247	0.4
67.05534	0.5
69.03375	0.4
77.94347	0.5
78.93961	0.5
81.07062	0.6
90.95006	0.5
119.95948	0.6
133.12201	0.5
265.20035	0.5
308.94086	0.5
344.24246	0.6
367.13736	1.0
421.18835	0.6
623.37659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91750	0.8
64.32834	0.8
77.22515	0.9
81.07104	1.1
84.49335	0.9
90.73740	0.9
107.08603	1.3
139.16599	1.0
146.10071	1.0
148.75003	0.9
148.78804	1.0
152.17578	1.0
166.36742	0.9
220.76263	1.1
231.67162	1.1
232.58949	1.0
250.99275	1.1
259.34848	1.0
267.90500	0.9
293.64767	1.0
343.13660	1.0
349.60147	1.0
527.19373	1.2
623.37701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.05512	6.1
57.07087	1.0
58.34845	0.8
67.05503	5.3
67.11118	0.7
69.03439	7.4
69.07068	4.5
71.04978	3.3
79.05486	3.7
81.03425	19.5
81.07059	7.9
83.04982	13.7
83.08641	1.4
85.02916	10.5
88.14320	0.8
91.05472	3.6
93.07034	1.8
95.04914	1.3
95.08606	8.8
97.02907	8.1
97.10187	1.0
99.04457	100.0
105.07031	1.5
107.08601	4.3
109.02877	3.7
109.06514	1.0
109.10168	5.2
110.79952	0.8
117.05480	3.7
119.08578	1.4
121.10105	1.8
127.03937	4.9
131.08572	1.8
135.11671	1.5
145.04924	3.9
159.11713	1.0
166.60565	0.9
169.78853	0.9
178.12181	1.0
243.08673	2.2
246.70149	0.9
280.26373	1.1
292.22736	1.1
308.86963	1.0
320.08990	1.5
363.28986	1.4
536.01001	1.0
623.24048	1.7
623.42737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.1
55.05518	3.1
57.07072	2.9
67.05513	17.3
69.03421	2.1
69.07060	2.8
71.04985	3.1
77.43852	1.4
77.94141	1.3
79.05502	3.7
79.78165	1.4
81.03426	9.0
81.07059	20.3
83.04987	2.0
83.08611	3.2
85.02904	3.0
85.06559	11.5
91.05473	2.7
93.07044	10.4
95.08610	16.8
97.02898	2.0
97.10156	6.4
99.04458	100.0
105.07050	6.1
107.08601	7.0
109.10179	13.2
117.05499	7.4
119.08596	3.9
121.10141	6.9
123.19994	1.6
131.08580	2.4
133.10109	2.0
135.11630	3.5
147.11726	1.7
156.75587	1.9
167.07072	2.1
225.04053	1.7
261.22195	2.2
279.23041	2.5
292.22644	3.7
294.24323	2.3
320.09204	14.2
321.09561	13.5
410.41272	1.8
431.45059	1.6
623.31995	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09443	3.2
53.03965	5.0
55.05506	27.1
67.05508	35.6
69.03420	8.8
69.07068	15.6
73.02904	9.8
79.05502	19.8
81.03426	24.7
81.07058	53.8
83.04965	7.6
83.08621	10.1
85.02903	8.0
91.05476	21.7
93.07040	26.9
95.04964	9.9
95.08620	39.3
97.02900	6.2
97.06532	4.9
99.04458	100.0
105.07024	19.6
107.08591	25.3
109.10156	17.2
111.04508	5.0
117.07009	10.1
119.08578	25.5
121.10146	19.3
123.04431	4.2
123.11680	5.2
129.05391	3.9
129.07022	6.9
131.08586	22.4
133.10129	17.8
133.92561	3.6
135.08060	5.6
135.11685	18.4
145.10156	8.5
147.11729	8.9
155.08665	4.3
159.11653	6.3
161.13289	6.7
168.25607	4.0
173.40678	3.9
175.94443	4.0
185.13313	5.8
334.10815	5.0
335.10876	6.9
351.23239	7.1
369.24442	12.9
449.19339	5.4
463.21280	5.6
467.28012	6.4
477.18863	9.9
485.29123	6.2
491.20712	5.8
503.30038	6.0
623.24677	41.5
623.34454	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.05516	6.1
57.17620	2.7
64.13498	2.9
66.72234	3.0
67.05511	18.8
69.03434	4.2
69.07047	4.0
71.04985	6.0
72.41639	3.1
73.02923	16.9
79.05505	14.4
81.03431	20.4
81.07056	30.0
83.08627	6.8
91.05457	3.8
93.07051	21.5
95.05032	4.2
95.08607	18.2
97.02858	4.6
99.04456	100.0
105.07059	15.9
107.08607	18.9
109.06558	4.3
109.10170	3.8
111.08011	3.6
116.15509	4.0
119.08592	16.9
131.08601	14.2
133.10126	6.7
135.11652	4.5
143.08492	3.7
145.10144	5.8
147.11678	6.9
157.09872	3.2
159.11682	5.7
161.13322	6.3
161.15472	3.4
173.75160	3.2
187.14754	4.7
189.16350	4.0
243.08670	17.3
247.83727	4.2
307.71945	3.4
345.27786	4.8
347.92288	3.6
440.46704	3.4
467.28143	5.6
471.14124	3.6
485.28842	17.1
503.29935	14.1
508.33740	4.2
569.34631	7.2
587.35718	17.5
605.36395	18.9
605.47418	3.5
623.38605	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42304	4.0
53.03950	8.3
55.05521	10.8
66.04628	4.2
67.05521	35.4
69.07066	24.5
70.19595	4.3
71.08630	5.1
73.02912	20.8
74.66052	5.5
79.05495	21.7
81.03415	28.8
81.07064	45.1
83.04974	8.3
83.08634	10.3
85.02892	6.5
91.05469	19.9
93.07042	42.3
95.08585	47.7
97.06530	10.1
97.10193	7.2
99.04459	100.0
105.07029	11.2
107.08590	29.6
109.06501	5.6
109.10149	28.7
117.07035	9.0
119.08587	11.9
121.10146	23.7
129.06979	7.2
131.08585	10.4
133.10130	12.1
135.11702	23.2
145.10126	21.3
147.11797	6.2
149.13251	6.2
151.11235	6.2
157.10034	6.8
159.11714	9.3
161.13255	10.3
185.13133	5.8
204.99272	5.2
261.22186	6.1
277.21439	5.4
294.24463	8.3
369.24051	9.3
467.27521	6.3
485.28772	19.3
501.07858	5.6
503.30008	10.8
623.46173	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.8
57.07081	3.3
60.04247	2.5
60.04534	57.2
66.07223	1.3
67.05511	11.9
69.07064	8.8
74.05553	1.3
79.05484	9.1
80.18171	1.4
81.07074	13.5
83.08624	9.7
91.05494	2.1
93.07037	9.0
95.08594	13.4
97.10176	2.8
100.07591	2.0
107.08604	2.8
109.10158	8.0
115.52467	1.4
121.10128	18.0
123.17403	1.4
135.11699	7.6
143.03780	1.6
148.34882	1.3
175.46173	1.8
183.79353	1.6
264.26865	3.6
282.27924	36.7
300.28955	100.0
307.25845	1.8
320.09262	20.0
321.09503	10.6
324.28870	7.0
509.55643	1.6
623.31628	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13185	0.8
57.07071	0.8
64.67242	0.9
67.05505	1.3
69.07063	1.1
79.05482	1.0
81.07054	2.1
91.05469	1.4
93.07054	1.9
95.08627	1.4
97.10188	1.0
107.08636	1.2
113.15797	1.0
121.10146	1.0
122.67619	1.0
139.30643	1.0
157.55550	1.1
199.36391	0.8
275.19885	1.1
296.91263	1.2
308.08859	0.9
317.17255	1.0
434.17621	1.3
435.21912	2.2
445.19266	1.2
449.19580	1.6
463.21356	4.8
464.22488	1.3
475.21332	1.9
477.18842	1.8
478.23441	2.0
487.21344	2.0
489.19843	1.1
490.19705	2.2
491.20844	8.9
491.25446	2.3
492.21472	14.1
501.23279	1.6
502.23343	2.2
503.24612	11.7
504.21490	2.2
505.22156	4.8
519.23938	20.2
520.23871	1.0
530.22797	1.3
537.25079	8.1
547.23242	5.0
564.23389	1.3
565.24487	10.1
595.24591	1.2
596.25684	1.2
606.24829	9.0
607.25653	2.3
609.23083	1.7
624.25653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.3
55.01644	1.0
55.01883	19.7
57.03440	0.8
66.39168	0.7
69.03416	6.4
71.04967	1.4
73.02921	27.3
73.13055	0.8
81.03416	12.1
85.02901	7.9
85.72828	0.8
87.04447	1.9
95.00639	1.1
97.02890	13.2
99.04452	100.0
109.02862	4.9
114.09164	1.6
119.04925	1.5
127.03902	13.2
131.82228	0.9
141.05472	5.6
147.04410	37.9
149.72716	0.8
165.05440	3.3
171.06555	1.3
173.05957	1.2
191.07063	9.1
207.06612	1.2
225.07562	10.5
243.06076	1.2
243.08620	38.3
245.08069	5.8
245.10356	0.9
249.81667	0.8
263.09174	4.6
285.07559	1.7
286.07809	2.2
319.08331	1.6
320.05847	1.0
320.09109	7.8
321.09949	1.5
334.10678	3.3
336.12283	6.5
361.12851	3.7
371.11258	1.3
424.00745	1.0
433.14828	1.1
469.14865	5.0
487.15970	26.7
505.16977	5.5
624.23553	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99133	1.4
66.04226	1.2
67.71202	1.3
70.32104	1.3
70.41999	1.3
72.92747	1.5
83.82355	1.3
123.06520	1.4
133.06468	1.9
148.88161	1.5
160.05194	2.1
160.89972	1.5
161.05972	6.4
166.06267	8.1
175.07526	8.3
181.08597	49.4
190.06201	17.0
191.06953	1.8
199.07536	24.8
205.08614	50.4
206.09341	2.6
248.52637	1.6
261.09088	2.8
273.09021	1.5
276.11456	3.6
289.08530	7.4
291.10156	2.1
292.10709	1.6
293.11765	3.0
303.10181	2.2
304.11041	12.4
305.08151	5.6
305.11691	19.6
307.13297	6.6
319.08871	1.8
320.10251	3.0
321.11227	36.3
334.10654	2.2
335.12708	16.2
336.13568	63.8
337.10803	5.9
352.12997	2.0
354.14584	3.5
367.15405	100.0
385.16528	14.6
427.17691	15.9
503.48889	1.9
511.76236	1.9
524.20062	1.9
626.13831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15212	0.4
56.61631	0.4
57.03453	0.5
62.81065	0.4
65.59203	0.5
65.77670	0.4
69.03432	2.6
69.42328	0.4
73.02905	0.6
73.93842	0.4
81.03417	1.9
85.02913	8.4
87.04459	1.9
94.87345	0.5
95.66086	0.5
97.02910	2.1
99.04470	0.5
107.04957	36.5
109.02891	1.0
119.05000	1.7
121.06506	3.1
127.03902	2.9
131.04970	0.9
133.06494	0.8
137.05977	6.4
143.04944	2.9
145.05066	0.5
145.06480	4.4
147.08037	1.0
151.07552	1.2
161.06007	0.5
163.07555	2.2
165.78610	0.5
175.07530	16.2
180.10266	0.7
192.10257	2.7
197.09665	2.8
207.15634	0.5
209.09547	3.9
225.09180	3.0
237.09113	9.0
257.11722	5.8
268.13242	1.0
269.11710	40.2
271.13354	1.1
300.12500	1.3
300.15930	38.2
320.80292	0.5
462.21271	8.4
624.26508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.3
57.81748	0.2
61.02891	0.4
61.51876	0.3
67.34427	0.2
69.03411	2.0
73.86439	0.2
74.32940	0.2
75.47269	0.3
81.03416	1.0
85.02904	4.7
87.04439	1.0
91.03889	0.3
91.40910	0.2
97.02842	1.8
99.04421	0.6
107.04957	35.7
109.02856	0.5
115.05418	1.0
116.47268	0.2
121.06503	4.9
127.03871	1.7
131.04863	0.3
135.79170	0.3
137.05000	0.4
137.05975	7.2
143.03856	0.4
143.04929	10.1
145.06476	5.5
147.04318	0.3
149.06007	0.3
149.08328	0.4
151.07498	1.4
162.09018	0.3
163.07518	1.2
175.07550	6.0
177.09128	0.4
180.10165	1.7
192.10201	21.9
206.11707	1.7
209.09579	1.2
219.07869	0.3
237.09076	5.7
251.10820	0.4
257.11679	0.3
268.13379	0.3
269.11713	29.0
271.13364	1.8
283.13385	0.6
300.15933	89.9
342.17065	0.4
462.21210	34.4
624.26514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43991	0.6
53.03959	3.1
55.01883	21.9
57.03452	0.8
69.03432	6.7
70.11242	0.5
71.04978	1.2
73.02919	26.4
81.03429	11.4
85.02890	6.4
86.23640	0.7
87.04465	2.5
95.08575	0.8
97.02892	11.7
99.04456	100.0
109.02883	6.1
121.06540	0.8
127.03924	13.1
141.05467	4.2
145.04982	1.6
147.04407	37.8
165.05452	1.4
171.06497	1.4
173.06000	1.4
191.07031	8.5
200.03271	0.8
225.07584	9.9
243.08630	34.5
245.08133	7.5
250.28838	0.8
259.23419	0.7
263.09097	3.6
273.62033	0.7
319.08420	1.0
320.09177	0.7
321.10025	1.4
334.10550	1.1
336.12329	3.5
361.12900	1.4
371.11124	1.4
373.61066	0.7
401.03226	0.8
409.67422	0.7
469.14706	4.8
487.16000	23.8
505.17123	6.3
542.12708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71734	0.7
56.86097	0.6
57.03460	0.8
61.02892	0.8
69.03442	3.3
81.03450	1.1
85.02909	9.6
87.04475	1.0
97.02891	1.5
99.04472	3.2
101.70207	0.7
104.11365	0.7
105.07023	1.0
107.04956	39.6
109.02927	0.9
115.21493	0.7
119.04997	0.8
121.06493	3.0
127.03935	1.9
131.04953	1.1
133.06502	5.4
137.05986	9.2
143.04967	4.6
145.06528	7.0
151.07515	1.1
163.07570	1.6
165.09143	1.8
175.07547	15.1
178.08580	1.0
180.10019	0.8
192.10245	5.0
197.09714	1.7
209.09608	7.3
223.98511	0.9
225.09230	4.0
237.09099	7.6
257.11606	6.6
269.11737	45.2
271.13358	1.8
300.12500	1.4
300.15952	42.4
419.89108	0.9
462.21353	9.7
530.04059	0.8
624.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53582	0.4
53.51413	0.4
58.06605	5.5
61.02925	0.6
65.15833	0.4
69.03442	3.2
69.22612	0.4
71.05028	0.7
74.46879	0.5
81.03436	0.9
85.02896	4.5
87.04485	0.6
97.02908	1.1
98.06107	0.8
99.04499	2.2
107.04955	31.7
115.39283	0.5
121.06543	3.1
127.03940	0.9
137.06000	6.2
137.45708	0.5
143.04915	8.9
145.06499	4.4
151.03905	0.6
151.07509	0.7
160.61270	0.6
161.05959	0.5
163.07576	0.7
167.01691	1.2
175.07532	5.0
178.08652	0.9
180.10165	0.7
192.10191	18.4
192.11827	0.8
206.11848	0.9
237.09084	5.2
239.03928	0.7
256.06458	0.7
265.08804	0.6
269.11710	26.6
269.48959	0.6
271.13278	0.9
275.37222	0.5
300.15936	74.0
328.15631	1.1
330.13644	0.7
342.17175	0.8
462.21207	31.7
546.01447	0.6
606.24072	1.0
624.26709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56255	0.4
61.02917	0.4
63.67050	0.3
69.03420	1.4
85.02925	4.4
87.04422	0.6
90.53918	0.4
97.02845	0.8
107.04959	35.0
121.06497	3.4
127.03879	1.8
137.05956	6.4
143.04922	8.6
145.06509	6.0
151.07536	1.0
162.09068	0.7
163.07530	0.9
175.07526	6.3
177.09065	0.5
178.08630	0.5
180.10146	2.2
183.93510	0.4
192.10193	20.2
200.52698	0.4
206.11734	1.7
209.09584	2.0
237.09096	5.9
257.11905	0.5
267.10318	0.4
268.13242	0.6
269.11703	27.2
271.13187	1.0
272.12878	0.5
300.15936	86.0
342.16928	0.6
462.21246	31.7
550.59363	0.5
624.26514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56255	0.4
61.02917	0.4
63.67050	0.3
69.03420	1.4
85.02925	4.4
87.04422	0.6
90.53918	0.4
97.02845	0.8
107.04959	35.0
121.06497	3.4
127.03879	1.8
137.05956	6.4
143.04922	8.6
145.06509	6.0
151.07536	1.0
162.09068	0.7
163.07530	0.9
175.07526	6.3
177.09065	0.5
178.08630	0.5
180.10146	2.2
183.93510	0.4
192.10193	20.2
200.52698	0.4
206.11734	1.7
209.09584	2.0
237.09096	5.9
257.11905	0.5
267.10318	0.4
268.13242	0.6
269.11703	27.2
271.13187	1.0
272.12878	0.5
300.15936	86.0
342.16928	0.6
462.21246	31.7
550.59363	0.5
624.26514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.5
63.88017	0.2
77.33215	0.2
104.36286	0.3
112.21230	0.2
122.80118	0.3
143.49942	0.3
146.85626	0.3
176.04628	0.3
176.07039	0.6
195.13914	0.3
265.08563	0.4
270.07626	2.2
292.09637	9.5
297.11298	0.4
304.09674	1.8
306.07608	3.3
314.06558	6.4
314.09848	0.5
319.08340	1.2
320.09146	14.2
320.12753	0.6
321.09933	32.6
322.10107	2.7
334.10773	2.5
335.11285	0.6
336.12292	100.0
337.12854	1.3
338.13727	0.5
342.16742	0.3
352.15613	1.8
369.91571	0.3
491.02994	0.3
592.24133	0.7
624.27167	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31977	0.3
58.06601	0.7
60.48795	0.4
69.07056	0.3
71.70850	0.3
81.07042	0.8
83.08608	0.6
83.29652	0.4
95.08631	0.5
107.08600	0.7
108.10107	0.4
109.10147	0.8
121.10143	0.4
121.46989	0.4
137.09639	0.7
147.11765	0.4
149.13243	0.7
160.99968	0.4
161.09644	0.8
165.09125	0.5
192.15611	0.4
265.08652	0.6
270.07468	1.7
292.09625	10.2
304.06451	0.5
304.09750	1.6
306.07645	2.8
310.10257	0.4
314.06485	4.5
319.08405	0.6
320.09131	12.0
321.09946	28.6
322.10413	1.3
323.11371	0.6
323.25845	3.9
334.10815	3.5
335.11136	1.4
336.12274	100.0
337.12787	3.7
338.13809	2.2
341.26917	2.9
352.15411	3.7
359.27841	2.4
428.39413	0.4
495.91614	0.5
508.63068	0.4
624.27563	5.2
624.72888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31977	0.3
58.06601	0.7
60.48795	0.4
69.07056	0.3
71.70850	0.3
81.07042	0.8
83.08608	0.6
83.29652	0.4
95.08631	0.5
107.08600	0.7
108.10107	0.4
109.10147	0.8
121.10143	0.4
121.46989	0.4
137.09639	0.7
147.11765	0.4
149.13243	0.7
160.99968	0.4
161.09644	0.8
165.09125	0.5
192.15611	0.4
265.08652	0.6
270.07468	1.7
292.09625	10.2
304.06451	0.5
304.09750	1.6
306.07645	2.8
310.10257	0.4
314.06485	4.5
319.08405	0.6
320.09131	12.0
321.09946	28.6
322.10413	1.3
323.11371	0.6
323.25845	3.9
334.10815	3.5
335.11136	1.4
336.12274	100.0
337.12787	3.7
338.13809	2.2
341.26917	2.9
352.15411	3.7
359.27841	2.4
428.39413	0.4
495.91614	0.5
508.63068	0.4
624.27563	5.2
624.72888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87840	0.3
52.74810	0.3
58.06608	4.1
63.95559	0.3
147.04372	1.7
174.35252	0.4
220.28017	0.4
265.08606	1.6
278.07840	0.5
281.08472	0.5
282.09015	0.5
292.09656	9.6
293.10046	0.6
297.11182	1.5
304.09702	0.9
306.07861	3.0
319.08273	0.6
320.09210	12.7
321.09955	30.0
322.10397	1.0
334.10638	2.1
335.11313	0.6
336.12289	100.0
337.12524	5.3
338.13748	2.9
341.26718	0.6
352.15485	4.6
373.10272	0.5
624.25836	3.7
624.34778	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69301	0.3
71.09351	0.3
95.08623	0.3
129.10060	0.3
133.10089	0.4
141.36803	0.3
145.39951	0.3
160.18214	0.4
168.26854	0.3
184.07390	0.4
212.23845	0.5
226.84758	0.3
272.34570	0.3
276.06342	0.4
290.08127	7.4
302.08051	2.1
304.06021	7.7
318.07587	10.5
319.08389	42.5
320.08957	0.5
334.10724	100.0
335.10864	0.4
336.12354	2.3
435.57602	0.3
590.33636	0.4
609.23505	0.3
624.29553	12.5
624.52942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69301	0.3
71.09351	0.3
95.08623	0.3
129.10060	0.3
133.10089	0.4
141.36803	0.3
145.39951	0.3
160.18214	0.4
168.26854	0.3
184.07390	0.4
212.23845	0.5
226.84758	0.3
272.34570	0.3
276.06342	0.4
290.08127	7.4
302.08051	2.1
304.06021	7.7
318.07587	10.5
319.08389	42.5
320.08957	0.5
334.10724	100.0
335.10864	0.4
336.12354	2.3
435.57602	0.3
590.33636	0.4
609.23505	0.3
624.29553	12.5
624.52942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08967	0.9
55.05516	2.8
57.05954	1.0
57.07082	2.8
58.06606	14.1
67.05504	2.1
67.38525	1.1
68.84095	1.1
69.03446	1.5
69.07073	16.0
71.08630	1.3
79.05507	1.7
81.07066	21.4
81.07504	2.0
83.08614	17.1
85.06539	1.4
93.07033	8.6
95.08603	24.0
97.10173	4.8
105.07018	2.3
107.08598	15.0
109.10157	21.1
111.08076	1.5
111.11731	2.5
119.08578	2.7
121.06524	1.4
121.10155	17.0
121.66730	1.5
123.11718	12.3
131.08559	1.7
133.10133	11.9
135.11708	8.5
137.09612	15.2
137.13245	5.9
145.10207	1.4
147.08067	2.0
147.11699	7.3
149.09653	5.9
149.13266	12.1
159.11613	1.3
161.09616	21.1
161.13229	1.5
163.11220	2.4
163.14827	5.4
165.09106	14.9
167.10681	7.3
175.11171	5.6
175.14789	4.4
176.06995	2.2
177.16359	1.4
179.10629	9.6
181.08647	2.8
181.12303	2.6
189.12712	2.2
189.16359	2.0
190.06235	1.4
191.18028	1.2
193.12245	6.2
203.17889	1.8
205.08553	2.0
209.18987	1.4
217.16142	1.4
245.22714	5.6
248.49564	1.2
259.24164	4.8
265.08475	2.0
269.22614	2.7
287.23636	2.8
292.09760	9.8
294.11267	3.0
305.24774	10.4
306.07620	2.5
314.06467	2.1
319.08279	1.4
320.09119	15.1
321.09946	28.9
322.10690	8.0
323.11542	11.2
323.25797	70.2
323.29608	2.4
334.10602	7.9
335.11194	1.3
336.12280	100.0
337.12808	6.0
338.13797	28.8
341.26840	76.3
352.15454	8.4
367.15390	7.3
368.69220	1.6
387.51132	1.4
624.18463	1.6
624.27582	23.7
624.35492	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3738
Annotation	apicidin
Peak:m/z	Relative Intensity
55.05500	2.8
56.92080	1.4
66.34139	1.4
67.05510	17.3
69.03418	3.7
69.07064	2.7
70.06597	7.1
75.46223	1.6
77.41791	1.4
79.05486	19.0
81.03416	10.5
81.07065	21.4
83.08604	2.5
84.04503	8.3
84.66409	1.7
85.02907	3.7
86.06068	28.5
87.04457	23.0
91.05501	5.5
93.07043	19.6
95.04958	2.8
95.08607	14.7
95.57571	1.6
96.04489	1.9
97.02912	7.5
97.10181	2.6
98.06053	39.0
99.04467	8.4
104.07114	3.0
105.07037	9.2
106.06602	2.0
107.08567	13.0
108.04497	8.8
109.02895	10.0
109.10157	7.5
110.06034	2.5
111.08053	1.9
112.07624	1.7
116.07075	6.2
117.07002	2.5
119.08549	3.2
121.06451	2.5
121.10128	10.5
124.07564	7.3
125.04706	3.5
125.87473	1.8
126.05486	7.3
127.03963	2.6
128.06213	2.1
128.07014	12.5
128.37856	2.0
131.08537	2.5
134.05994	14.2
135.11717	6.9
137.05939	2.3
138.09109	4.2
140.07048	3.5
145.10164	4.2
146.08070	2.1
147.11681	3.0
148.07559	13.0
159.11646	2.2
166.08621	11.3
170.08189	2.5
176.07050	53.7
182.08157	7.5
194.08116	59.0
212.09120	20.5
214.93890	1.8
230.10297	9.2
237.69620	2.0
277.21616	2.8
336.12183	2.5
588.35297	24.2
606.36346	85.2
624.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
55.05513	8.4
57.03434	3.2
57.07077	10.2
65.00650	1.7
67.05494	16.7
69.03428	12.4
69.07067	19.9
71.04977	6.2
73.02898	3.0
79.05489	7.6
81.03404	4.0
81.07056	17.0
83.08617	23.6
83.49038	1.8
85.02903	11.1
85.06565	2.0
85.10204	2.7
87.81842	1.7
90.30424	1.5
91.05525	1.9
93.07034	7.8
95.08588	29.8
96.01612	1.5
97.02888	74.0
97.10162	14.6
99.04459	27.7
107.08596	7.8
109.02891	12.8
109.10152	13.3
111.08019	1.8
111.11713	3.5
121.10126	17.9
123.11728	2.2
127.03900	25.3
135.11674	17.6
137.13243	2.1
145.04959	13.2
149.13274	8.6
151.14751	2.1
151.43407	1.7
153.12737	1.7
163.14752	2.2
189.50235	1.7
247.23999	2.5
265.25262	15.4
283.26282	2.4
320.09125	3.4
322.10495	1.9
372.12369	2.1
391.28391	2.8
409.29556	3.1
413.27441	2.1
427.30508	100.0
455.17770	1.8
624.29865	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.3
55.05530	2.9
57.03436	1.7
57.07083	1.8
63.08346	1.5
63.53965	1.3
65.10329	1.6
67.05501	10.4
69.03441	17.0
69.07080	13.5
71.04987	9.6
73.02918	6.6
79.05513	3.1
81.03425	26.3
81.07060	18.4
83.05007	1.9
83.08208	1.7
83.08627	13.4
84.96062	2.2
85.02915	9.9
91.05494	2.6
93.07021	6.7
95.08600	17.3
97.02898	21.6
97.06519	1.7
97.10175	9.1
99.04462	53.3
100.11279	2.0
105.07027	1.6
107.08595	7.2
109.02882	29.5
109.10154	10.7
119.08581	1.6
121.10184	11.3
123.11722	2.1
127.02991	2.7
127.03922	64.8
133.10080	1.7
135.11691	10.0
145.04971	6.1
149.13298	2.6
174.65034	1.7
178.27499	1.7
218.90341	1.6
227.08148	3.8
247.24265	2.8
265.25220	10.3
320.09128	1.9
336.12323	2.8
361.27463	2.3
373.27280	6.6
391.28506	2.2
409.29559	13.8
427.30545	100.0
518.22260	2.9
564.22980	2.6
606.23615	3.2
624.25330	58.8
624.40680	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19735	0.6
60.04522	1.3
84.04512	1.1
87.48768	0.7
88.03999	13.5
88.47215	0.9
99.04458	0.9
100.93044	0.7
112.04012	1.4
116.03471	1.2
121.06467	1.5
122.02407	0.9
130.04977	0.9
138.06766	1.7
140.01556	0.7
140.03433	18.6
140.04483	1.0
151.02177	1.9
151.07530	14.0
153.09103	14.6
158.04488	18.0
166.06247	24.3
168.02896	16.5
181.08582	93.3
186.03958	39.9
186.05605	1.4
191.07025	1.3
194.05727	1.2
204.05029	42.7
204.06851	1.5
209.08156	3.4
213.34836	0.8
226.42851	0.9
270.07806	0.8
319.07965	1.0
320.09375	1.1
334.10968	1.2
364.37030	0.8
386.09268	1.8
417.13257	1.6
468.81396	0.8
490.37979	0.9
542.41785	0.9
625.20673	100.0
646.63977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2541
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
50.48112	1.9
52.42395	1.9
55.19242	1.9
55.80564	2.1
82.28348	2.3
93.07045	2.8
95.04967	2.5
95.51761	2.5
103.05515	3.6
121.06516	62.7
137.05981	14.1
143.04872	4.6
144.95883	2.4
149.06004	2.8
152.07097	2.4
164.06979	3.3
175.03914	3.0
181.08627	3.7
186.03101	4.0
201.05431	32.1
205.06554	4.2
233.06007	13.5
237.09175	9.9
247.07495	5.3
250.06169	4.7
251.06996	3.1
264.07861	8.9
265.08621	40.5
275.07129	3.0
278.05649	10.5
279.10239	9.6
282.08798	2.7
287.03513	4.0
290.08206	2.7
291.06534	5.6
292.07202	26.8
293.08084	46.1
297.11273	2.7
307.09671	72.6
308.06842	16.7
310.08304	4.6
319.05508	20.9
320.09293	4.7
323.09045	47.7
325.10696	78.1
333.07458	3.0
334.10791	24.4
335.11240	2.8
336.06247	9.3
336.12509	5.7
337.13232	4.8
338.13437	8.6
351.08627	100.0
352.15411	14.4
353.15829	15.5
462.19162	72.3
488.17151	36.1
496.25534	2.9
527.05457	3.2
549.33081	2.8
625.25647	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2544
Annotation	Cannabisin G
Peak:m/z	Relative Intensity
58.06596	18.9
62.78659	7.6
72.94321	11.2
89.06394	7.9
92.20935	14.4
93.31455	8.6
98.35515	10.1
103.66449	9.3
121.06499	50.3
148.48384	9.7
163.15422	8.8
190.04898	12.2
207.95297	8.8
265.08826	12.7
297.19641	9.8
308.06796	62.1
320.09286	17.3
321.09995	35.1
322.10379	36.6
323.11078	13.0
334.10855	20.4
336.12308	100.0
337.12781	74.8
338.13416	38.7
352.15213	83.9
488.17142	38.2
625.26013	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2543
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
67.48192	1.1
72.08134	1.1
74.93204	1.1
77.85533	1.4
79.89717	1.0
87.68766	1.0
91.05508	2.3
93.07056	8.5
95.04958	1.9
103.05460	4.7
121.06506	100.0
137.05983	2.6
152.07033	1.1
191.07027	1.0
201.05447	51.6
207.29791	1.2
233.05893	1.8
237.09131	4.4
244.06081	6.4
263.06851	1.4
265.08597	12.5
272.12848	4.8
282.08844	7.0
290.07993	4.3
290.96030	1.2
291.06442	9.9
293.07886	1.8
297.11145	2.7
304.06140	2.2
306.07718	1.2
308.06656	1.6
318.07626	4.3
319.08414	13.7
320.09146	6.8
321.09885	1.5
323.09012	18.0
325.10803	5.1
334.10791	31.2
335.11227	2.1
336.12268	5.0
337.12701	4.4
340.11008	1.5
364.11783	1.3
368.11163	2.3
460.17316	4.5
462.18985	4.2
488.17047	85.5
625.15088	7.9
625.25122	11.4
653.14099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2543
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.50722	0.4
53.03959	0.4
72.32823	0.4
91.05483	3.3
92.21584	0.5
92.98048	0.4
93.07046	10.1
95.04972	2.4
103.05471	5.3
105.04578	0.5
109.15280	0.4
120.12765	0.5
121.06504	100.0
136.84918	0.4
137.05942	3.3
138.77322	0.4
151.03966	0.9
152.07074	0.9
163.41243	0.5
186.03082	0.9
201.05440	52.1
202.26707	0.5
203.07112	0.8
205.06459	0.8
217.05055	0.8
226.05014	0.6
233.05998	2.4
237.09082	6.5
244.06010	7.8
250.06201	0.6
263.07001	2.1
265.08585	12.0
266.09381	0.7
272.12833	2.2
282.08856	7.1
291.06607	4.5
292.07022	0.5
293.07986	1.1
295.09744	0.7
297.11197	3.4
308.06696	3.4
319.08661	1.0
320.09491	0.6
323.09036	13.6
325.10669	2.0
334.06937	0.5
334.10306	3.2
336.12122	0.9
337.12607	1.1
351.08563	3.3
364.11664	3.4
368.11249	3.2
460.17816	3.6
462.19012	2.4
488.17029	81.0
625.16675	3.3
625.26538	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74962	0.5
66.36197	0.5
70.06602	0.7
78.99406	0.6
84.67452	0.7
96.45972	0.8
118.06512	2.6
132.08051	0.8
144.08098	5.8
146.06006	35.8
146.07175	1.5
159.09187	4.4
188.07060	100.0
205.04688	1.0
205.09712	39.9
225.42212	0.7
266.08258	0.8
507.44653	0.6
515.09778	0.9
625.20728	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	0.8
66.98203	0.8
67.05514	1.6
69.07087	0.9
73.30582	0.8
79.05513	0.9
81.07056	2.1
83.08619	0.8
91.05504	0.8
93.07043	1.1
95.08626	1.3
103.40882	0.8
107.08612	1.0
117.71889	0.9
119.08617	1.5
131.08575	0.9
133.10135	1.0
167.04269	0.8
170.15466	0.9
175.16579	0.8
200.08635	0.9
239.15433	0.9
283.53500	0.9
420.23126	4.4
421.23831	3.9
451.21143	10.9
452.22101	1.2
460.22250	1.0
463.17368	1.0
464.21793	1.0
465.22842	12.4
466.23526	1.9
475.21158	3.1
476.22025	1.2
479.24518	1.1
487.21338	1.6
491.20782	5.3
492.21878	4.2
493.26633	8.1
501.22641	1.6
503.24359	9.3
504.24765	1.1
505.22440	1.4
509.22195	3.3
519.23920	1.2
520.24457	1.2
521.25507	4.8
523.23370	5.2
537.25092	6.2
538.25836	9.3
547.23706	5.4
551.23016	1.8
565.24390	3.4
566.24475	1.3
575.22491	1.7
581.27393	1.2
607.25616	18.8
625.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97977	0.3
57.39872	0.3
69.31403	0.3
81.07041	0.4
92.20950	0.8
131.26865	0.4
205.15677	0.4
297.80527	0.4
311.20135	0.5
320.09271	0.9
336.11929	0.4
433.20383	0.5
447.21918	0.7
461.23624	4.2
475.21002	1.0
482.26779	0.5
489.23065	3.8
493.22601	2.7
505.22665	5.9
506.23117	1.8
507.23868	6.5
508.24521	1.8
519.23456	0.7
521.25781	13.7
523.23578	0.6
534.22662	1.7
535.23376	5.0
537.24249	1.8
547.23438	0.8
551.23077	0.7
565.24640	19.6
566.25262	5.5
569.24878	0.5
593.23688	0.9
594.24524	1.9
609.65125	0.5
625.26581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47705	0.6
56.98778	0.6
67.05506	1.1
81.07079	1.2
89.11713	0.7
95.08630	1.5
101.63301	0.7
105.80367	0.8
107.08572	1.2
117.26563	0.7
170.88327	0.7
223.40001	0.9
316.06454	0.9
316.10406	0.8
320.17694	1.4
407.18073	1.4
407.22690	1.0
420.23254	3.2
421.23743	3.4
435.18542	2.9
436.18781	1.5
449.19800	3.7
451.21298	10.8
464.22250	4.8
465.22800	14.8
466.24283	2.6
475.25217	1.1
479.23721	0.9
491.20874	1.1
492.21570	3.1
493.26236	7.7
503.24524	6.5
509.21780	3.6
521.25494	3.9
523.23175	6.6
537.25366	3.6
538.25537	5.1
547.23212	7.1
548.23322	0.8
549.24841	1.2
565.24274	4.4
567.22516	1.1
578.74316	0.7
581.28729	0.9
593.24115	5.0
607.25348	1.0
625.26532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34951	0.7
55.05514	4.4
57.03437	1.4
67.05504	6.2
69.07092	1.7
79.05512	6.8
81.07082	6.9
83.08611	1.5
91.05500	6.1
93.07046	6.1
95.08630	6.2
97.06541	1.2
97.10176	3.6
102.37241	0.9
105.07055	5.1
107.08613	6.9
109.10181	4.0
117.07059	1.3
119.08564	6.5
121.10146	4.4
123.11726	1.4
125.09628	1.6
131.08609	4.4
133.10147	5.0
135.11717	1.2
140.79350	0.9
143.08591	1.2
145.10156	4.0
147.11688	1.5
149.13342	0.9
157.10176	2.2
159.11734	2.2
171.11768	1.8
173.13159	1.4
181.10117	1.1
185.13240	1.7
197.13301	1.2
199.14799	1.0
225.16417	1.3
253.28661	1.0
266.80249	0.9
273.18661	4.1
335.25897	1.8
336.12466	1.3
347.22083	2.0
368.20367	1.0
421.20563	1.0
435.18658	1.3
437.23544	1.2
464.22305	2.0
467.93127	1.0
474.20490	12.8
475.21271	12.0
477.23123	1.6
491.20456	1.1
492.21780	2.2
503.20847	4.8
519.24005	2.2
529.22296	1.3
534.22894	1.2
535.23218	3.7
547.23364	44.7
562.00604	1.1
565.24487	9.1
579.26208	1.4
607.25671	5.8
607.43787	10.2
625.26611	100.0
625.43597	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
58.40744	0.6
60.90538	0.6
63.31635	0.6
64.05804	0.6
66.61897	0.6
67.05508	2.8
69.03446	0.7
69.07082	0.7
75.49026	0.6
76.85605	0.6
79.05509	1.3
81.07069	3.4
83.08609	1.3
86.58367	0.6
91.05466	1.3
93.07062	2.7
95.08614	3.6
105.07065	3.3
107.08603	3.1
109.10172	1.0
119.08591	2.8
121.10129	1.0
131.08577	0.9
133.10097	1.3
145.10181	1.3
157.10121	1.4
159.11696	1.4
169.10237	1.0
183.11674	1.0
185.13251	1.2
197.13300	1.0
222.68808	0.7
410.30350	0.9
433.20233	3.6
437.23294	0.8
446.21310	2.5
459.21942	4.3
473.23676	0.9
474.20389	1.5
475.21237	4.5
476.21878	1.5
477.23215	6.9
487.21216	2.6
488.22333	2.7
489.22845	3.0
491.20294	4.7
492.21588	3.2
495.23792	1.3
501.23108	7.7
502.19974	1.1
503.25241	2.0
505.22400	3.1
515.20490	1.5
516.21613	1.4
519.24139	6.0
520.24731	3.1
523.23779	3.1
529.22693	0.9
531.23956	2.8
533.22083	3.9
537.24921	3.2
547.23511	11.6
548.24274	1.6
564.23230	0.7
565.24469	1.4
566.25232	2.6
575.23151	2.9
579.26434	1.1
607.25903	3.5
607.43323	4.9
625.26593	100.0
625.42596	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
55.50725	0.5
58.79919	0.5
61.39438	0.6
62.67200	0.5
63.95480	0.5
64.66834	0.5
64.97626	0.5
65.79594	0.5
67.05499	4.4
69.07077	2.3
72.34345	0.6
75.85442	0.6
79.05494	3.4
81.07043	4.8
83.08638	0.8
91.05464	2.9
93.07050	4.0
95.04956	0.9
95.08611	4.8
97.10226	0.8
103.15553	0.6
105.07047	2.6
107.08595	3.2
109.10176	1.5
116.58912	0.6
117.07014	0.9
119.08569	4.3
121.10139	1.5
131.08592	3.1
133.10156	2.5
135.11749	1.2
145.10155	1.6
147.08051	1.0
147.11700	0.8
167.07008	1.4
168.07480	0.7
171.11694	0.9
184.07332	0.7
197.13214	0.7
218.62350	0.7
227.12762	0.8
259.20850	0.8
273.18497	3.8
335.25931	0.8
347.22189	2.1
420.23172	0.7
433.20050	8.7
445.24362	0.9
446.20926	3.4
447.21802	4.2
450.16873	4.2
459.21732	1.3
461.19449	0.9
471.21851	2.6
473.23703	1.2
474.20587	2.9
475.20856	8.3
479.20749	3.0
483.21866	3.5
485.23526	1.2
486.20779	0.8
487.21274	4.2
489.22910	2.9
491.20111	6.7
492.25552	1.2
500.22235	2.3
501.22620	9.8
502.23517	4.2
503.24258	1.2
505.22369	0.9
507.24149	0.8
515.20782	0.9
517.22406	1.4
519.23584	4.1
520.24969	6.4
529.22394	1.2
531.23865	2.7
533.21429	1.1
536.20563	2.5
537.24854	0.8
541.39825	0.7
547.23279	12.5
548.24213	4.5
565.24121	8.3
575.22919	3.5
607.25281	10.3
607.43457	5.3
625.26532	100.0
625.41309	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91592	0.4
66.60462	0.4
67.05512	0.8
78.97528	0.5
81.07062	0.6
93.07069	0.7
96.02480	0.5
119.08579	0.7
149.31314	0.5
197.37367	0.6
244.42641	0.6
254.74171	0.5
337.12631	0.5
407.84265	0.5
447.17456	0.6
463.17462	2.2
465.22806	2.8
466.23743	0.6
477.19128	2.3
478.20050	2.5
479.20715	3.9
491.20874	3.2
492.14648	1.1
492.21356	12.5
493.22079	10.8
501.23169	1.2
505.22400	1.1
507.23834	2.1
508.25201	1.1
519.24005	3.0
521.25085	2.5
523.23224	0.9
524.24396	1.2
537.20685	6.7
547.23395	3.6
550.22662	0.7
551.22931	1.2
565.24469	40.2
575.23230	1.0
579.26294	0.7
597.27283	1.0
607.25415	3.0
625.26556	100.0
625.43793	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12020	1.1
72.06683	1.3
89.89400	1.1
92.21079	1.3
92.56618	1.3
119.11434	1.4
126.60478	1.3
148.87114	1.3
170.15977	1.5
230.85919	1.4
234.26878	1.6
244.11533	1.5
295.13312	1.3
329.88943	1.2
391.97971	1.4
433.19971	9.5
446.21249	2.3
447.21774	2.4
448.22726	1.9
459.21805	2.0
474.20886	1.5
475.21356	7.5
483.22107	1.4
487.21655	1.6
489.23166	1.8
491.21082	7.3
501.23062	9.1
502.23932	1.7
515.20898	1.4
517.22552	2.5
519.23334	1.7
520.24976	8.0
530.00079	1.4
533.22198	1.7
546.22742	1.7
547.23529	10.9
548.23969	2.5
557.21802	2.6
575.22937	3.1
607.25714	11.4
625.26575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37066	2.2
53.03941	3.9
55.05507	14.2
57.03434	5.5
57.07074	4.1
59.54372	3.0
60.47977	2.3
61.11401	2.8
67.05511	40.9
69.03400	4.2
69.07072	27.8
71.04993	4.1
71.08631	4.5
79.05499	26.8
81.03400	18.0
81.07053	55.8
83.08598	15.4
84.30373	3.1
85.02900	6.1
85.06496	3.5
86.06061	3.9
91.05476	15.5
91.11869	2.8
93.07052	30.1
95.08607	46.4
97.02889	5.7
97.06529	7.3
97.10151	5.7
99.04453	100.0
105.07028	11.4
107.00218	3.2
107.04950	4.1
107.08578	17.1
109.06532	5.2
109.10159	24.8
109.70053	2.8
117.05495	5.0
119.08585	12.5
121.10115	13.6
123.11652	5.1
127.03924	4.1
128.14362	3.9
129.09099	3.5
131.08531	4.7
133.10146	16.3
135.11684	16.7
137.09636	3.7
147.11699	14.0
149.13246	3.6
157.10120	4.7
159.11624	4.5
159.91864	2.7
161.13315	6.0
163.14803	3.4
175.14812	4.6
198.14844	5.2
224.94232	3.0
277.21436	3.2
280.26367	17.2
347.29495	12.3
464.21533	5.4
465.22650	17.1
547.22943	13.5
565.24255	4.2
593.23523	13.5
607.35559	7.4
607.43884	15.2
625.26190	98.9
625.40192	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
57.03449	1.1
57.20696	0.6
67.05507	4.6
69.07059	0.7
79.05499	3.1
81.07050	4.3
83.08620	1.0
91.05489	1.0
93.07049	2.9
95.08618	3.6
97.10184	0.7
105.07055	3.5
107.08614	2.7
109.06484	0.9
109.10194	1.4
117.07034	1.4
119.08614	2.7
121.10189	0.9
123.26678	0.7
131.08566	1.5
133.10149	1.2
143.08607	1.4
145.10135	1.5
147.11775	0.7
157.10085	1.1
159.11644	1.0
169.10072	0.6
171.11697	1.2
183.11729	1.1
185.40442	0.7
195.11734	0.9
197.13316	0.9
209.13284	0.7
334.11115	1.0
335.25964	1.0
336.12149	0.9
416.48422	0.7
433.16107	0.7
437.23160	0.8
448.18753	1.2
449.19025	0.9
449.24158	1.1
457.20212	3.3
461.19687	1.4
471.17932	1.0
473.23541	1.2
475.21384	9.0
476.22314	1.0
477.19263	0.9
487.21307	3.7
491.20892	2.9
492.21222	4.6
493.21991	4.6
501.23029	6.5
502.19476	1.2
503.20966	3.7
505.22385	2.6
515.20703	3.9
519.24353	6.9
521.21838	1.2
522.22516	1.5
523.23053	1.1
529.22339	1.2
531.23022	3.5
533.22198	1.0
537.24933	3.2
547.23602	10.5
563.22992	0.9
565.24164	3.6
566.25159	4.3
575.22961	3.8
593.24701	0.8
607.26111	4.3
607.43970	4.6
625.26587	100.0
625.43213	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47463	0.5
58.76461	0.4
67.05503	0.7
67.14134	0.4
74.07777	0.4
81.07056	0.7
95.08595	0.7
100.29201	0.4
107.08622	0.4
109.10199	0.5
219.07593	0.4
342.25714	0.6
407.22635	0.7
417.15482	0.6
423.21954	0.8
437.23538	2.3
461.19772	2.1
462.20572	2.2
463.20709	0.8
471.22025	2.0
472.18448	0.6
473.23895	1.1
474.20465	1.0
475.21295	2.6
477.19250	1.7
479.21124	0.6
483.21674	1.0
485.19714	2.2
486.20459	0.8
487.21399	1.7
488.22177	2.3
489.22882	7.3
490.23837	0.7
491.21106	2.7
492.21176	5.2
493.22250	5.0
501.22797	10.8
502.20108	2.7
503.20679	0.5
503.24463	0.6
505.22379	3.7
507.23886	3.4
513.22766	0.9
515.20563	5.6
516.21814	1.9
517.22406	1.8
519.24023	8.3
520.21680	2.2
521.21997	0.9
529.22498	3.8
531.23975	5.7
533.21930	2.9
535.23712	2.0
536.24231	0.9
537.25323	3.7
545.21710	2.0
547.23145	9.2
549.25098	0.9
557.21796	0.7
565.24561	3.6
566.24817	4.0
575.22546	4.8
577.24213	0.6
579.25940	0.6
593.23737	1.7
607.25568	5.5
625.26581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57458	0.7
57.03438	0.7
67.05511	1.8
69.07074	0.6
70.09058	0.8
71.18796	0.6
81.07062	3.2
91.05476	1.2
93.07060	1.5
93.57937	0.8
95.08588	1.7
100.96288	0.7
103.58081	0.7
105.07052	1.3
107.08604	3.0
109.10146	0.9
119.08582	1.2
121.10090	1.0
123.11690	0.8
133.10220	1.1
135.11809	0.8
147.08047	1.1
235.08887	0.9
273.18488	1.1
327.61887	0.9
429.20618	1.3
437.23517	1.6
448.18967	1.2
449.19342	1.6
451.20859	1.2
457.20541	3.5
465.23380	0.7
471.18033	0.9
472.18835	0.9
473.23361	3.3
475.21255	8.7
476.22168	1.3
479.20959	3.7
485.19409	0.9
487.21387	6.0
492.21756	5.0
493.22461	6.6
501.23105	10.7
502.20157	3.2
503.21091	4.5
505.22522	1.7
515.20520	1.2
516.21790	1.0
519.23749	5.6
521.21979	1.0
522.22961	1.7
529.22357	1.1
531.23431	5.4
537.24628	3.6
547.23395	13.4
557.21741	1.4
566.25238	3.1
575.22974	6.4
607.25446	11.9
607.43347	3.5
625.26593	100.0
625.44324	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3014
Annotation	Taxuspine M
Peak:m/z	Relative Intensity
58.39637	0.5
60.51500	0.5
67.05516	1.1
69.03500	0.5
69.05754	0.7
69.07061	0.6
71.83958	0.5
75.04493	0.5
77.93287	0.6
80.65571	0.6
81.07038	0.8
85.52897	0.5
92.21208	1.0
95.08636	0.8
104.43058	0.5
105.07011	0.6
107.08566	0.7
151.71155	0.6
165.36092	0.6
177.48566	0.5
193.82423	0.6
308.99713	0.6
421.20126	1.1
433.20157	1.4
434.20901	3.3
435.21991	4.7
439.24203	0.7
449.19675	2.6
451.21289	1.0
461.23166	0.8
463.21283	1.2
467.68948	0.7
479.20782	3.3
491.24524	1.0
492.25409	6.1
493.26352	5.1
507.24063	16.7
524.27838	0.8
533.25763	0.8
537.24695	5.5
547.27008	3.4
565.28485	25.2
567.26251	8.3
596.26611	1.0
607.28918	2.6
607.41614	0.9
625.30438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39637	0.5
60.51500	0.5
67.05516	1.1
69.03500	0.5
69.05754	0.7
69.07061	0.6
71.83958	0.5
75.04493	0.5
77.93287	0.6
80.65571	0.6
81.07038	0.8
85.52897	0.5
92.21208	1.0
95.08636	0.8
104.43058	0.5
105.07011	0.6
107.08566	0.7
151.71155	0.6
165.36092	0.6
177.48566	0.5
193.82423	0.6
308.99713	0.6
421.20126	1.1
433.20157	1.4
434.20901	3.3
435.21991	4.7
439.24203	0.7
449.19675	2.6
451.21289	1.0
461.23166	0.8
463.21283	1.2
467.68948	0.7
479.20782	3.3
491.24524	1.0
492.25409	6.1
493.26352	5.1
507.24063	16.7
524.27838	0.8
533.25763	0.8
537.24695	5.5
547.27008	3.4
565.28485	25.2
567.26251	8.3
596.26611	1.0
607.28918	2.6
607.41614	0.9
625.30438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16657	0.5
53.44815	0.5
67.05494	1.7
72.86612	0.6
79.05489	0.7
81.07043	3.1
88.14014	0.6
91.05441	0.7
93.07026	1.4
95.08588	3.6
105.07050	0.9
107.08559	0.8
109.10139	1.7
119.08514	1.1
121.10165	1.3
125.32386	0.7
172.13354	0.8
218.60361	0.7
380.47974	0.8
420.22995	3.6
421.23749	4.5
423.21750	21.3
433.23688	1.3
437.23434	11.7
438.23822	4.7
447.21017	0.9
449.19379	3.0
451.21387	10.5
452.21716	1.5
463.21188	7.1
464.21378	1.2
465.22693	12.8
466.23697	1.3
475.20761	8.3
476.21848	1.3
477.22766	1.0
479.24530	15.5
480.24585	1.2
492.25223	1.5
493.26199	7.9
495.23358	1.0
501.22736	0.9
503.24014	2.8
505.21237	1.0
508.20792	0.8
519.24060	12.2
520.23773	1.0
523.23047	0.9
533.25122	2.8
537.24945	24.9
538.25366	3.5
547.25385	2.9
551.26312	1.5
552.27667	9.1
565.28558	8.4
566.25299	1.4
579.25726	2.9
607.24481	3.1
625.26807	100.0
625.40454	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.4
55.01875	3.1
55.05519	20.5
55.16639	1.6
57.03438	9.9
57.07081	11.0
60.82614	1.5
63.47646	1.8
67.05515	53.6
69.03429	9.4
69.07067	25.6
69.97353	2.0
70.51629	2.0
71.04993	10.6
71.08621	3.7
73.02918	17.1
73.09075	1.6
78.96091	2.1
79.05505	21.3
81.03421	22.1
81.07061	72.0
83.04993	8.8
83.08629	23.1
85.02898	10.8
85.06543	4.4
85.10209	2.0
87.04461	2.3
91.05479	20.2
93.07056	29.5
95.04970	7.4
95.08606	56.5
97.02876	10.1
97.06524	9.4
97.10165	14.6
99.04462	100.0
100.07608	3.3
105.07017	18.7
107.04975	3.3
107.08612	23.0
109.02902	2.9
109.06519	3.4
109.10156	41.1
111.04473	1.8
111.08097	4.4
113.09654	2.3
114.09087	1.8
117.07032	4.2
119.08575	17.1
121.06532	2.6
121.10148	19.4
122.63379	1.7
123.08052	4.0
123.11698	11.8
124.67462	1.7
125.06004	2.9
125.09626	12.6
127.03970	2.9
128.14359	7.0
129.06956	2.3
131.08585	8.9
133.10149	23.9
135.08047	4.1
135.11693	14.0
136.73369	1.7
137.09636	10.9
137.13272	3.1
139.11180	7.9
140.10670	2.0
141.05460	2.4
142.12259	8.2
143.08548	4.7
145.10138	3.4
147.08081	2.2
147.11705	9.6
149.09612	3.4
149.13252	3.6
151.11089	2.7
155.10648	2.9
159.11664	2.0
161.13249	10.9
168.13841	2.2
169.10097	1.8
169.12238	1.9
170.11739	16.1
171.08032	1.9
171.11679	2.4
172.13322	9.0
173.11736	9.5
173.13235	3.6
175.14828	2.9
177.12747	2.3
179.14378	2.4
181.12383	1.8
184.13243	2.4
186.14896	10.4
187.13385	5.7
187.14830	2.5
200.12848	2.7
207.61650	2.2
243.08620	12.5
245.22687	8.1
261.22037	2.9
263.23843	14.5
279.23279	3.0
280.26340	24.3
296.26160	2.5
311.23242	2.2
320.09018	20.6
321.09473	11.9
343.26379	2.9
353.24698	7.9
371.25775	14.3
389.26785	12.0
402.92181	2.3
407.27838	2.9
412.76871	2.1
469.29343	10.8
487.30682	14.8
505.31293	8.8
600.15515	2.0
625.33221	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.1
55.05521	8.3
57.03449	0.8
57.07077	5.9
67.05173	1.5
67.05507	23.6
69.03422	4.4
69.07066	14.9
71.04985	4.3
71.08635	3.7
73.02908	5.0
79.05493	9.5
79.48424	0.8
81.03421	15.4
81.07061	30.4
83.04976	3.3
83.08621	11.4
85.02918	7.4
85.06544	14.5
86.09684	1.0
89.09241	0.8
91.05473	8.6
93.07047	13.2
95.04956	1.7
95.08607	23.8
95.09195	1.6
97.02877	4.6
97.06521	4.6
97.10166	6.9
99.04456	100.0
99.08095	1.6
100.07577	1.6
100.11244	1.4
105.07032	7.5
107.04954	1.2
107.08588	9.2
109.02883	1.6
109.06535	1.7
109.10162	13.5
111.04456	1.5
111.08073	1.6
111.11736	1.8
113.06008	1.9
117.05501	5.9
117.06998	1.8
119.08575	7.6
121.06473	1.0
121.10131	9.1
123.08100	1.0
123.11691	4.7
125.09683	1.2
127.03927	3.9
131.08548	4.1
133.10167	9.6
135.08119	1.2
135.11748	6.1
137.09642	1.6
137.13232	1.2
141.05501	1.0
143.08624	0.9
145.04884	1.0
145.10162	3.5
147.11676	5.7
147.79433	1.0
149.13293	3.4
161.13269	4.8
163.11229	0.9
163.14795	1.7
175.14745	1.5
179.14319	1.4
193.08490	0.8
198.14867	2.0
200.16591	1.1
207.13785	0.9
209.15344	1.0
212.16437	2.0
214.18025	1.5
242.17638	1.3
243.08691	4.0
245.22565	3.3
261.09814	1.0
263.23758	6.3
269.21890	1.0
277.21579	1.2
279.23196	1.9
280.26334	14.0
294.24121	1.1
304.15842	1.1
320.08899	1.0
334.10696	0.9
347.29282	1.2
353.24588	0.9
371.25803	4.6
389.26654	3.5
407.27811	1.8
469.29276	1.7
487.30447	4.8
496.28760	1.0
505.31686	1.8
625.51782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47129	1.7
53.03960	5.3
55.01876	2.6
55.05521	10.9
57.03440	3.3
57.07073	11.7
59.75225	1.9
67.05514	49.1
69.03437	8.8
69.07072	30.8
71.04990	10.7
71.08632	5.4
73.02914	17.9
79.05502	17.9
81.03424	19.6
81.06615	4.2
81.07059	67.8
83.05003	4.1
83.08633	22.7
85.02912	11.0
85.06547	12.6
85.10181	2.3
86.47839	1.9
87.04463	2.4
87.17451	2.1
91.05476	16.3
93.07039	24.6
95.04939	4.5
95.08604	46.6
96.42719	2.3
97.02876	4.0
97.06525	8.5
97.10158	14.4
99.04458	100.0
100.07618	2.3
100.11272	2.6
105.07030	16.4
107.08591	16.8
109.02847	2.4
109.06509	2.6
109.10167	32.2
111.04432	2.5
113.09706	2.8
114.09150	4.1
117.06998	3.0
119.07862	2.3
119.08539	19.2
121.06467	2.3
121.10146	17.8
123.03500	2.3
123.08085	4.4
123.11713	4.3
125.09631	4.1
127.03893	3.4
128.14299	3.1
131.08572	10.4
133.10139	17.3
135.11650	19.9
137.09644	3.9
141.05479	4.7
145.10080	7.9
147.11679	12.0
149.09714	2.6
149.13258	9.7
151.14790	2.5
161.13321	7.2
163.14780	3.2
172.13390	2.6
186.14922	3.8
198.14879	10.0
212.16493	3.5
214.18033	4.0
243.08643	3.5
245.22661	8.3
263.23682	14.5
267.20282	2.3
277.21710	2.6
278.24496	2.6
280.26248	20.4
296.25946	3.4
332.29599	2.4
371.25769	13.8
389.26773	12.9
392.53867	2.3
393.93188	2.8
407.28098	4.1
469.29480	11.2
487.30524	8.8
505.31317	11.8
604.13281	3.0
625.39117	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85682	3.6
55.05512	4.0
57.07085	21.0
60.17766	2.9
60.94944	3.2
67.05499	16.6
68.68269	3.2
69.03444	7.5
69.07064	7.7
71.08626	19.4
79.05505	5.2
81.03408	22.3
81.07064	28.1
83.04987	7.0
83.08611	18.5
85.02895	8.3
85.06517	5.0
85.10204	4.5
91.05457	5.9
93.07030	7.6
94.94004	3.8
95.08614	41.8
97.02882	21.1
97.06509	6.9
97.10170	5.6
102.50938	3.6
105.07037	8.5
107.08607	16.0
109.02902	5.2
109.06492	6.3
109.10149	9.3
116.85983	4.1
119.08576	5.1
120.44658	4.0
121.10146	15.5
123.08059	33.1
123.11694	4.9
127.03909	14.3
129.95796	3.6
133.10173	4.6
133.63126	3.8
136.02676	4.6
137.09659	3.9
140.72229	3.7
147.11688	5.3
149.09631	27.8
151.07542	23.7
158.75258	3.6
161.13269	17.7
165.12743	16.8
167.52318	3.5
179.14255	3.9
189.12717	66.0
207.13785	100.0
225.14839	58.1
239.23686	5.3
240.53961	4.6
280.26111	6.0
320.08966	4.3
357.80518	3.9
360.37766	4.2
383.27930	8.6
401.28867	25.2
447.28244	4.2
519.09973	4.1
625.42511	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.1
55.62886	2.5
57.07077	12.7
58.96081	2.0
60.48057	2.4
67.05479	2.2
69.03431	2.4
69.07063	26.0
71.08636	5.4
79.05481	3.2
81.07076	25.0
83.04971	5.2
83.08605	9.9
85.06535	4.9
85.10197	3.6
93.07032	10.6
95.08592	30.8
97.10169	5.6
107.08611	28.3
109.06471	3.2
109.10165	12.8
111.04442	100.0
111.08046	3.8
111.11721	3.6
116.29873	2.6
119.08574	11.9
121.10125	10.2
123.08091	5.7
125.05994	27.0
131.08575	3.3
135.08034	25.6
135.11713	24.4
137.05974	16.1
137.13257	5.3
139.07538	3.5
145.10129	23.4
149.13249	10.9
153.12744	4.0
159.11665	14.4
163.11162	27.6
165.12747	5.9
173.09619	4.4
177.12752	22.7
179.14264	4.6
181.12216	93.7
183.13806	19.5
203.10632	19.0
225.77342	2.6
231.10222	20.5
260.48166	2.6
273.18567	19.8
283.16931	6.5
301.17935	71.3
307.30072	4.4
319.18930	30.0
347.18481	11.2
403.35504	4.7
427.36053	3.4
565.46301	5.9
589.45404	3.0
607.47058	14.8
625.48065	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47093	0.2
62.44730	0.2
67.63384	0.2
90.73399	0.2
109.91495	0.2
206.10036	0.3
222.93599	0.3
290.08026	5.2
302.08191	1.3
304.06064	6.2
318.07599	7.6
319.08380	38.9
320.09335	0.4
334.10715	100.0
335.90421	0.3
345.72964	0.3
372.12265	1.2
376.06088	0.3
448.72726	0.3
608.17737	1.1
616.42389	0.4
626.18671	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49999	0.3
60.35594	0.4
73.73710	0.4
86.39426	0.4
90.80782	0.4
142.24335	0.4
154.60173	0.4
216.50946	0.4
218.58716	0.4
229.48209	0.4
250.38713	0.4
266.08206	0.5
282.07623	16.9
300.15884	0.7
350.67191	0.4
374.10223	7.1
388.11945	0.7
418.12848	32.5
464.13431	100.0
580.18237	1.5
626.18683	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32792	0.4
61.54637	0.6
62.82684	0.6
68.62260	0.5
77.88522	0.5
82.09252	0.5
83.85078	0.5
89.47898	0.6
259.03131	0.6
277.64963	0.6
294.07599	1.4
306.07504	0.7
307.08435	2.4
319.08557	0.9
320.09097	2.6
321.09897	0.8
322.07196	7.3
323.07657	2.3
323.11456	2.0
334.06982	2.2
334.10730	3.3
335.07925	1.0
336.05008	13.6
336.12210	3.0
337.13016	1.0
338.10150	3.3
338.13840	3.3
350.06918	2.2
351.07367	20.8
351.10944	0.8
352.15521	1.2
366.09714	100.0
464.13559	0.8
528.15027	51.4
626.18842	3.3
626.29370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12674	0.3
81.52262	0.4
83.36555	0.3
114.35607	0.3
114.53046	0.4
145.02817	1.0
146.46422	0.5
168.39256	0.4
177.05450	0.7
215.50394	0.4
290.08054	10.2
302.08051	2.8
304.06006	12.3
318.07587	13.5
319.08392	63.1
320.09137	2.9
334.10742	100.0
336.11960	0.5
337.12579	0.5
404.15207	0.5
405.10712	0.4
626.20203	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.6
84.71400	0.7
85.17672	0.6
96.09010	0.6
111.00012	0.6
145.02939	0.7
183.23193	0.7
264.82159	0.7
266.28336	0.8
290.08109	11.9
302.08160	2.6
304.06049	12.7
318.07611	16.2
319.05270	0.6
319.08392	60.2
320.09164	8.7
334.10745	100.0
335.11069	0.9
336.12457	1.4
395.63879	0.7
552.12726	2.3
626.20221	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31810	0.3
81.68652	0.4
99.07429	0.3
99.91313	0.4
100.06844	0.3
117.45642	0.3
153.66034	0.3
162.10976	0.4
254.24139	0.4
276.06488	0.8
277.21829	0.4
290.08096	10.4
294.11130	0.4
302.08081	3.1
304.06015	11.1
308.09064	0.5
318.03809	0.5
318.07599	13.5
319.08386	55.1
320.09061	3.6
321.09521	0.5
323.11472	0.4
324.11996	0.7
334.10721	100.0
335.11075	2.3
336.12286	3.7
364.11697	2.9
386.10284	0.5
528.17133	0.5
626.20050	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31810	0.3
81.68652	0.4
99.07429	0.3
99.91313	0.4
100.06844	0.3
117.45642	0.3
153.66034	0.3
162.10976	0.4
254.24139	0.4
276.06488	0.8
277.21829	0.4
290.08096	10.4
294.11130	0.4
302.08081	3.1
304.06015	11.1
308.09064	0.5
318.03809	0.5
318.07599	13.5
319.08386	55.1
320.09061	3.6
321.09521	0.5
323.11472	0.4
324.11996	0.7
334.10721	100.0
335.11075	2.3
336.12286	3.7
364.11697	2.9
386.10284	0.5
528.17133	0.5
626.20050	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28671	0.3
56.08832	0.3
59.32188	0.3
69.03429	0.6
70.06590	0.4
77.69476	0.3
81.03426	0.5
85.02900	3.0
91.05456	0.4
92.04992	2.1
97.02896	1.9
98.06045	0.6
99.04447	2.1
103.71277	0.3
109.02903	0.3
112.02187	0.3
113.05548	0.3
116.07085	0.5
119.04929	0.5
119.56561	0.3
120.04463	100.0
127.03918	0.4
128.41634	0.3
133.02898	0.5
137.05937	0.6
138.05504	42.8
145.02861	1.9
145.04950	0.5
147.04402	13.5
153.59453	0.4
165.05457	5.7
175.03911	0.5
177.05469	4.3
194.08182	0.8
198.05508	0.7
201.05533	1.3
212.09160	0.3
300.10858	1.9
309.09735	0.4
325.10788	1.4
327.53995	0.3
355.11691	1.1
397.59598	0.3
486.32681	0.4
626.25769	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30270	0.4
55.01875	1.1
57.03408	0.5
61.02925	0.5
65.06441	0.4
67.58913	0.4
69.03419	0.5
73.02917	0.6
79.05491	1.2
81.03415	2.5
85.02907	2.7
87.04478	0.5
97.02867	1.8
98.99024	3.2
100.02200	6.6
103.05467	4.4
105.07040	28.3
115.03954	0.6
118.03223	1.0
119.04939	0.7
122.02745	0.5
122.03662	0.7
125.02335	0.7
127.03908	0.8
131.04929	25.5
133.04909	2.6
133.06493	100.0
137.05980	57.4
141.00070	0.6
142.03197	0.6
145.04984	0.7
146.02707	17.7
151.07526	3.8
158.02745	3.0
163.07538	7.4
165.09113	64.2
170.02667	0.9
171.01106	2.8
176.23871	0.4
179.05498	0.8
181.08632	3.0
184.04271	1.0
188.03755	7.8
200.03772	0.7
201.51665	0.6
202.05301	1.0
212.03777	2.1
230.04935	0.9
248.05827	8.8
261.11237	1.9
261.31238	0.5
266.06955	17.7
284.07947	11.3
288.73676	0.5
288.83023	0.5
289.70193	0.5
298.32208	0.5
308.80814	0.5
342.09372	0.6
343.13846	19.8
464.15231	0.6
475.80228	0.5
608.19678	2.6
626.20660	11.6
653.77643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64896	1.4
53.74321	1.6
54.76380	2.0
55.01883	3.4
65.03934	2.1
67.46093	1.7
69.03441	2.2
71.12659	1.9
73.02905	2.9
81.03438	2.4
92.59540	1.9
97.02891	100.0
98.79075	1.9
99.04453	20.4
100.04791	5.0
101.25341	2.2
119.04936	3.8
147.04407	12.7
149.02322	9.0
167.03383	46.5
175.03914	43.3
187.07472	3.6
207.04626	4.2
207.06517	90.1
215.06938	3.2
219.02155	2.1
219.10138	3.8
229.08472	4.6
242.66881	2.1
247.09622	3.9
253.07269	2.4
256.33707	2.1
257.08203	7.6
275.09070	8.4
292.09613	13.9
301.75681	2.1
303.08603	3.4
306.07516	3.1
320.09094	13.9
321.09781	53.0
334.10492	4.5
336.12164	16.6
339.10590	11.6
366.09879	2.9
380.11197	37.4
489.16354	3.5
626.22296	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04118	0.5
65.63496	0.6
67.05522	1.0
67.40836	0.5
69.39362	0.6
81.03471	0.6
81.07077	1.1
83.73347	0.6
92.21597	0.7
95.08582	0.6
117.07127	0.6
135.11691	0.8
138.96739	0.6
149.06024	0.9
159.11600	0.8
169.74176	0.7
176.07265	0.7
189.07881	2.4
190.08687	3.2
203.68747	0.6
213.05513	1.0
215.07034	0.9
241.04921	2.0
257.92154	0.6
292.09683	2.2
318.07562	5.8
320.09180	61.4
321.10025	6.2
330.11298	0.6
332.09271	2.2
334.10623	0.8
336.12247	17.6
336.15985	1.0
358.11063	1.1
360.12421	2.8
371.11691	3.5
372.12393	0.7
373.09702	0.7
374.14157	0.8
388.11765	11.0
402.13263	1.3
433.20059	5.4
538.21924	0.9
566.21277	0.9
608.26483	1.2
626.27557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18578	0.4
68.93749	0.4
76.09840	0.4
79.05479	0.5
81.07043	0.4
95.04906	0.6
98.06763	0.5
117.74071	0.5
118.70204	0.4
123.08033	0.5
143.10979	0.5
171.23970	0.5
176.07083	1.0
187.07364	0.5
189.07788	1.8
190.08595	1.7
213.05524	0.9
215.07007	0.6
241.04903	0.9
290.08078	0.5
292.09586	1.0
305.44339	0.4
318.07568	4.1
319.08618	0.5
320.09171	85.3
321.09543	4.4
330.11301	0.5
332.09186	1.7
334.10712	1.1
336.12390	2.5
348.12491	0.8
358.10663	0.7
360.12292	2.3
371.11496	2.6
373.09583	0.7
374.14148	0.6
388.11823	6.7
402.13269	1.8
433.19714	3.1
460.89429	0.5
475.43771	0.5
505.09113	0.5
626.27466	100.0
650.24652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98049	0.8
58.06617	1.9
59.92366	0.9
65.80650	1.0
67.22150	1.0
74.87763	0.9
75.54718	0.9
79.05489	2.0
81.10616	0.9
103.05464	9.3
105.07019	4.2
107.04967	5.6
109.10198	1.2
131.04924	11.6
133.37213	1.0
200.39392	1.1
211.22044	1.2
249.61519	0.9
265.08704	1.2
292.09662	4.2
306.77515	1.0
320.09158	61.1
321.09750	7.3
334.10846	1.7
336.12253	19.8
337.12650	4.6
368.25653	8.2
386.26895	12.8
460.30682	4.3
478.31989	1.5
503.30988	1.2
516.31067	24.5
534.32135	54.1
552.33197	1.4
590.34509	4.4
608.35760	31.9
620.27905	1.2
626.26935	14.8
626.36877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53392	0.8
61.69321	0.8
67.05498	0.9
69.07062	1.4
70.06597	1.0
75.14928	0.8
76.44364	0.9
81.07068	2.1
83.08631	2.1
93.07046	1.1
95.08610	2.1
97.10188	1.3
109.10193	2.2
123.11706	1.1
124.11243	1.1
149.13280	1.8
156.17632	0.9
159.48079	0.9
166.15889	1.6
167.15411	1.2
168.13831	32.2
168.15160	1.6
170.11790	2.0
181.17018	1.4
182.15416	25.7
183.33565	0.9
185.16437	10.7
196.16910	6.6
198.15036	1.2
199.18040	5.5
209.20161	3.9
210.18526	100.0
212.16563	3.8
224.20111	11.9
227.17502	3.7
227.21216	9.6
241.19159	1.6
292.09790	1.6
319.08319	1.8
320.09183	47.8
334.10770	5.0
336.12189	4.0
361.28299	1.6
362.26791	1.9
379.29633	1.3
380.27570	1.3
383.28967	2.1
397.25980	2.1
397.30692	41.9
403.32813	1.4
404.31085	1.8
425.33685	4.7
439.35773	20.6
445.68018	1.3
600.22131	1.1
626.27258	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.8
57.51513	1.4
69.07068	1.9
75.50021	1.3
77.11837	1.5
77.69518	1.5
81.85641	1.8
83.08626	1.8
95.08648	2.5
107.16526	1.4
107.30921	1.5
109.10150	9.8
110.90273	1.5
111.11653	1.4
112.15160	1.4
134.56558	1.6
153.13841	3.4
154.12271	100.0
168.13858	6.7
171.14934	44.7
182.15392	43.7
196.13226	1.9
199.18115	11.3
210.18578	9.2
224.20180	11.2
238.21652	6.4
249.30621	1.8
292.09464	3.0
318.07648	2.7
319.08517	2.7
320.09204	82.9
321.09735	3.3
334.10898	11.9
336.12167	3.2
358.92343	1.6
365.27847	2.2
369.27463	14.6
379.29337	2.6
383.29065	36.4
397.30624	32.8
417.01740	1.9
417.07266	1.8
439.35355	12.9
526.17163	1.7
582.13489	2.2
626.16772	4.8
626.27246	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27722	0.3
61.02951	3.7
64.98772	0.3
69.03412	1.4
70.06590	0.5
73.02926	0.8
81.03398	0.4
85.02911	7.9
91.03950	2.6
97.02891	2.8
99.04491	0.6
109.02899	0.4
115.15194	0.4
115.72046	0.3
119.04878	0.4
126.19331	0.3
127.03934	2.0
145.04982	1.7
147.04381	0.4
163.06027	0.7
165.01743	0.4
167.05400	0.5
178.91777	0.4
208.79710	0.4
257.04327	0.5
303.04999	100.0
315.05206	0.4
319.04523	0.4
345.05850	0.8
348.80515	0.3
465.10245	7.9
465.16656	2.7
524.03119	0.4
551.64703	0.3
556.80695	0.4
573.48199	0.4
627.21265	2.5
655.41382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
57.52394	0.2
61.02922	1.3
62.49454	0.2
69.03430	1.9
70.06591	0.5
71.04969	0.2
73.02882	0.4
81.03431	0.6
85.02897	5.9
96.15418	0.3
97.02888	1.5
97.99344	0.3
99.04405	0.3
109.02909	0.4
110.45443	0.2
127.03912	1.6
137.02318	0.5
141.89432	0.3
145.04948	0.5
156.23967	0.3
165.01840	0.4
165.05484	0.4
257.04456	0.4
259.05948	1.3
301.06815	0.3
303.04974	100.0
315.05527	0.3
319.08279	2.3
376.32162	0.3
465.10242	20.5
481.13297	1.2
627.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
57.52394	0.2
61.02922	1.3
62.49454	0.2
69.03430	1.9
70.06591	0.5
71.04969	0.2
73.02882	0.4
81.03431	0.6
85.02897	5.9
96.15418	0.3
97.02888	1.5
97.99344	0.3
99.04405	0.3
109.02909	0.4
110.45443	0.2
127.03912	1.6
137.02318	0.5
141.89432	0.3
145.04948	0.5
156.23967	0.3
165.01840	0.4
165.05484	0.4
257.04456	0.4
259.05948	1.3
301.06815	0.3
303.04974	100.0
315.05527	0.3
319.08279	2.3
376.32162	0.3
465.10242	20.5
481.13297	1.2
627.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2449
Annotation	Cryptophycin 176
Peak:m/z	Relative Intensity
52.08183	0.6
53.74656	0.5
58.67875	0.5
60.07682	0.5
61.71531	0.6
72.65899	0.5
77.00808	0.5
79.40052	0.5
81.07053	1.3
92.21476	1.0
130.47604	0.6
153.08243	0.6
158.53363	0.6
165.51813	0.5
166.30031	0.5
191.30573	0.6
241.51703	0.6
244.10452	0.7
293.09927	0.8
320.09036	2.5
321.09680	2.7
334.10641	1.0
337.12726	2.2
377.05481	0.7
421.51648	0.7
425.19702	0.8
439.21085	2.7
449.19855	1.1
461.19308	0.7
462.20117	0.7
462.45657	0.6
475.21115	2.9
477.23795	4.2
478.19839	1.0
481.18127	0.8
490.20471	2.1
492.21423	0.9
493.17957	6.9
494.19043	8.1
495.20517	3.8
503.20782	9.0
504.17651	5.1
505.22064	1.2
507.20313	3.8
515.20813	1.1
517.18646	4.6
518.19794	1.0
520.20837	1.4
521.21991	16.2
522.23120	1.7
523.22766	0.9
531.20282	2.5
532.21558	0.9
533.21954	5.9
535.19519	3.0
539.22919	5.8
549.21289	17.2
566.21747	0.8
568.23279	4.4
577.20569	4.9
581.23633	2.3
595.21613	1.0
609.23523	5.5
627.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2447
Annotation	Cryptophycin 176
Peak:m/z	Relative Intensity
51.08499	0.8
55.05517	2.1
56.80364	0.9
67.05514	5.3
69.07072	1.8
79.05492	2.1
81.07048	9.9
83.08635	1.3
91.05499	4.5
93.07054	4.5
95.08606	5.8
97.06535	1.4
105.07045	5.4
107.08612	5.6
109.06525	1.0
109.10143	1.8
117.07016	1.0
119.08597	4.6
121.10152	3.5
123.08051	1.4
131.08591	2.4
133.10132	1.8
135.11716	1.4
145.10098	3.5
147.11693	3.9
148.22620	1.2
159.11656	1.6
171.11697	1.1
173.13304	1.4
197.13237	1.2
199.14941	1.0
261.22156	1.1
335.25693	1.0
390.18372	1.8
409.20096	2.0
422.20914	6.6
423.21552	3.0
424.22937	1.2
439.21509	4.0
453.19092	11.4
454.19986	5.9
463.20889	1.2
465.19470	1.0
466.19650	1.1
467.20425	13.4
468.21805	2.2
477.22986	4.6
491.20926	1.1
493.18353	1.4
494.19873	4.6
495.24121	11.4
496.24533	1.7
505.22238	13.9
506.23611	1.3
511.24783	8.4
521.21796	1.2
523.23499	6.5
525.21497	4.1
539.22815	6.6
540.23553	12.8
549.21527	4.6
567.22583	5.1
577.76581	1.0
609.23651	3.7
609.44690	10.8
627.24542	100.0
627.41321	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34886	0.1
58.36452	0.1
70.13462	0.1
76.03123	0.1
77.52790	0.1
87.19809	0.1
97.03122	0.1
106.27570	0.1
151.73497	0.1
156.93875	0.1
168.11845	0.1
375.19302	0.2
405.17392	0.2
407.22729	0.6
420.19766	0.2
421.19843	1.0
423.21844	1.8
433.20126	2.0
434.21030	2.9
435.21799	4.5
436.22598	1.0
447.22031	1.0
448.23331	0.2
449.19656	7.1
450.24606	0.2
461.23599	0.7
462.20020	0.2
463.21005	2.5
464.22037	3.0
465.19623	0.7
466.24115	0.8
467.24826	0.9
468.25204	0.2
476.22250	0.6
477.22971	1.0
478.23184	0.2
479.20282	2.0
480.21811	0.5
481.22284	3.2
491.25400	0.2
492.21780	0.1
493.22226	2.5
494.23026	4.9
495.23874	4.6
495.30698	0.2
496.24692	0.2
497.22372	0.2
506.23138	0.5
507.24069	16.9
508.24557	0.5
509.25974	1.4
510.26474	0.9
519.23804	0.2
521.25177	0.9
523.26270	0.2
525.25378	0.9
526.25830	1.1
534.00934	0.1
534.22034	0.1
535.23450	0.6
536.23920	0.9
537.25024	0.9
538.22125	0.2
539.22479	4.6
549.25153	2.5
551.23456	0.2
552.23492	0.5
553.24384	1.2
563.23053	0.2
566.25311	0.7
567.26080	35.1
568.26904	0.7
581.23981	0.9
595.25372	0.6
596.26440	0.6
598.23962	0.6
599.28931	0.8
609.27106	1.1
627.28119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05512	0.7
56.28204	0.7
65.96444	0.6
67.05501	1.4
69.07072	0.9
81.07064	4.5
91.05492	0.9
92.88605	0.7
93.07085	1.2
95.08601	0.9
105.07002	0.9
108.22710	0.7
169.30331	0.8
315.16293	13.9
319.08334	1.9
320.09161	9.9
321.09589	13.4
322.10452	4.0
333.17352	27.5
334.10843	3.1
335.11115	3.4
336.12234	12.7
337.12604	13.5
351.18460	11.8
365.78491	0.9
434.20953	1.7
435.21667	3.5
449.19534	8.1
463.20953	1.6
464.21915	1.9
481.22153	3.2
493.21719	1.1
494.23404	5.6
495.23840	4.6
507.24100	13.1
508.24716	0.9
530.13055	0.9
539.22473	1.2
549.24683	1.4
567.26050	40.9
591.36670	1.4
609.26703	1.0
609.45142	1.7
627.28113	100.0
627.45697	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.55579	0.7
60.24969	0.7
67.05505	1.1
68.35760	0.7
81.07034	0.9
85.87518	0.8
95.08644	1.3
158.15117	0.8
163.49266	0.8
163.85257	0.8
192.24821	0.7
225.56451	0.8
315.46533	0.7
320.09232	1.2
321.09680	1.0
335.76389	0.8
336.12381	3.0
337.12726	1.7
423.21805	1.3
433.20264	3.0
434.21231	1.7
435.21872	4.2
449.19440	7.4
463.21298	3.2
464.21964	1.0
477.23193	1.2
481.22562	3.2
494.23245	5.2
495.23819	3.9
507.24069	14.8
537.24097	1.0
539.23120	4.1
549.25232	1.6
553.24475	1.3
567.26050	34.9
627.28076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
63.98161	0.7
68.20297	0.6
81.07058	1.2
81.89754	0.7
97.93848	0.7
115.46313	0.8
130.24110	0.7
306.07501	0.9
307.08060	0.8
308.08932	0.8
315.16235	0.8
319.08380	0.9
320.09048	1.4
321.09479	1.0
333.17322	56.9
334.07101	2.8
335.07715	3.3
336.12305	3.9
349.09467	1.2
350.10043	3.9
351.10553	4.5
351.18402	100.0
369.19473	36.0
374.20111	5.4
527.22559	0.9
541.20117	1.4
555.21851	2.8
611.28180	1.6
627.30865	29.5
627.39099	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
56.96574	0.8
57.07088	0.6
67.05511	4.8
69.07066	0.9
79.05495	2.9
81.07059	4.6
90.82404	0.6
91.05502	2.1
93.07034	3.6
95.08605	1.3
97.10186	0.9
99.04443	1.3
100.04822	0.7
101.07100	0.6
104.34073	0.6
105.07034	1.3
107.08585	3.0
109.10130	1.1
119.08572	1.0
121.10149	1.1
133.10170	1.5
135.11705	1.3
137.09595	0.7
147.11678	0.8
159.11800	0.6
161.13304	0.7
228.06708	0.9
253.11090	1.3
269.10587	1.6
271.12271	0.9
271.53461	0.7
275.20200	1.1
312.37872	0.7
315.16196	0.8
333.17343	51.9
335.25717	1.0
350.10208	1.4
351.18414	100.0
369.19492	32.2
374.19989	5.5
392.20914	0.9
609.44958	2.6
627.30280	3.6
627.39203	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28220	1.8
54.29145	1.5
67.05518	3.1
75.70665	1.6
79.05482	2.0
81.07075	3.2
90.73370	1.9
90.83312	1.8
94.69430	1.9
95.08590	3.2
98.06048	3.0
105.07048	2.2
109.10168	2.1
119.08613	3.1
119.53594	1.8
124.07594	2.0
176.07127	3.1
244.42816	2.2
290.67108	2.2
296.21985	2.3
383.75769	2.2
537.78247	2.5
551.02075	2.4
591.37817	2.9
609.38605	8.1
627.29089	9.1
627.41980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85357	0.4
85.02947	0.4
93.07037	0.5
101.50514	0.4
107.08651	0.5
133.06541	0.6
142.18546	0.5
161.06009	2.6
165.05472	0.5
175.90402	0.4
181.90619	0.4
190.04970	3.8
193.08534	1.6
206.16151	0.4
263.05728	0.6
264.06598	0.9
290.08209	2.9
292.06055	2.9
292.09595	1.8
293.06830	1.1
303.05276	2.5
304.06036	1.9
305.06699	0.9
306.07593	1.1
318.07578	7.9
319.08401	4.6
320.05518	5.6
320.09177	10.2
321.06201	1.9
321.09634	3.5
322.10629	2.1
331.04874	2.0
332.05707	0.7
334.10663	11.3
335.11136	2.4
336.12262	6.1
338.13864	0.9
346.07092	3.6
348.04999	1.9
349.05746	8.2
351.34509	0.5
360.31229	0.6
364.08136	100.0
382.09161	0.6
466.14752	0.7
526.13397	6.9
528.27521	0.5
623.41003	0.5
628.20325	17.5
648.41040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17417	0.1
52.99348	0.1
56.70728	0.1
58.77234	0.1
80.14601	0.2
148.04594	0.1
153.23837	0.1
181.08548	0.3
231.09950	0.1
270.79843	0.2
275.09308	0.3
278.07959	0.2
290.08069	0.3
291.08722	0.3
292.09637	9.4
304.06387	0.2
304.09494	1.3
306.07574	3.0
307.08331	0.2
318.07568	0.5
319.08331	2.2
320.09146	11.2
321.09937	28.7
323.11566	0.2
334.10703	4.7
335.11172	1.3
336.12271	100.0
609.27942	0.1
610.19159	0.2
628.20227	36.9
629.83661	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85201	0.4
61.29804	0.5
67.87307	0.4
99.04447	0.5
103.64066	0.5
126.58425	0.5
128.68404	0.5
174.03497	0.5
210.08408	0.6
216.39226	0.6
236.86974	0.5
254.45665	0.6
278.08099	1.0
306.07617	9.7
318.07535	1.7
320.05457	5.7
320.08881	0.9
334.07193	6.3
334.10654	1.6
335.07880	33.7
336.12531	0.6
350.10208	100.0
397.09320	0.6
607.51343	0.6
628.20215	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85357	0.4
85.02947	0.4
93.07037	0.5
101.50514	0.4
107.08651	0.5
133.06541	0.6
142.18546	0.5
161.06009	2.6
165.05472	0.5
175.90402	0.4
181.90619	0.4
190.04970	3.8
193.08534	1.6
206.16151	0.4
263.05728	0.6
264.06598	0.9
290.08209	2.9
292.06055	2.9
292.09595	1.8
293.06830	1.1
303.05276	2.5
304.06036	1.9
305.06699	0.9
306.07593	1.1
318.07578	7.9
319.08401	4.6
320.05518	5.6
320.09177	10.2
321.06201	1.9
321.09634	3.5
322.10629	2.1
331.04874	2.0
332.05707	0.7
334.10663	11.3
335.11136	2.4
336.12262	6.1
338.13864	0.9
346.07092	3.6
348.04999	1.9
349.05746	8.2
351.34509	0.5
360.31229	0.6
364.08136	100.0
382.09161	0.6
466.14752	0.7
526.13397	6.9
528.27521	0.5
623.41003	0.5
628.20325	17.5
648.41040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24929	0.3
71.34304	0.2
83.45417	0.3
89.41679	0.3
92.20937	0.6
105.24728	0.3
109.69190	0.3
112.09304	0.3
122.78580	0.3
152.18196	0.3
181.22597	0.4
202.55423	0.3
232.67398	0.3
276.06693	0.3
290.08081	8.1
291.08591	0.4
292.09589	0.6
302.08157	2.5
304.06000	8.9
318.07596	12.7
319.08377	43.3
320.05359	0.7
320.09137	20.8
321.09790	2.0
322.10657	0.5
334.10709	100.0
335.11264	0.5
336.12070	1.3
361.51608	0.4
410.79541	0.3
609.23920	0.4
628.20557	1.2
628.29407	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40392	0.2
54.85678	0.2
61.38831	0.2
65.27637	0.2
92.21537	0.3
105.83236	0.2
155.90851	0.3
185.06602	0.2
204.36539	0.2
244.13380	0.3
276.06241	0.3
290.08096	7.7
302.08112	2.2
304.06018	7.9
318.07587	11.5
319.08374	42.9
320.09113	4.6
321.09525	1.1
334.10721	100.0
335.11060	1.2
336.12131	1.1
406.57932	0.3
470.63565	0.3
489.28265	0.3
525.47522	0.3
532.39758	0.3
628.20929	1.3
628.28979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59136	0.4
71.51209	0.4
74.09908	0.4
84.61914	0.5
88.27518	0.5
105.66511	0.5
114.04468	0.5
136.06184	100.0
144.12389	0.5
156.98692	0.5
223.72449	0.4
225.80562	0.5
268.10379	25.3
274.32352	0.5
582.05829	0.5
628.19318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
81.54179	1.2
90.79231	0.8
91.26086	0.8
91.82810	0.9
109.40916	0.8
232.87575	0.9
290.08240	1.5
318.07739	1.6
319.08353	10.4
320.09207	4.7
334.10742	21.4
346.10904	1.3
392.97986	1.0
396.22327	0.9
432.11942	1.0
468.14566	1.8
472.14215	1.4
481.68170	1.0
482.12567	5.2
484.14157	1.9
485.14612	1.7
486.15384	1.5
496.13812	4.0
497.14597	1.2
498.15558	2.0
500.17850	8.1
512.17206	7.2
514.14984	14.5
515.15497	10.4
524.47174	1.0
530.18085	100.0
607.78497	0.9
628.21783	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92421	0.6
58.16385	0.6
65.89435	0.6
81.32494	0.6
85.02889	1.0
85.55586	0.8
150.12410	0.7
319.08469	3.2
320.09186	13.4
321.09628	3.9
322.10571	1.1
331.11850	1.4
334.10669	6.6
335.11102	4.1
336.12439	6.0
337.12671	1.0
346.10770	5.6
347.11389	4.8
352.07999	1.3
360.12460	1.7
362.10028	8.9
362.13901	5.9
363.11050	8.5
364.11725	4.1
365.12418	0.9
371.15332	1.0
374.17493	3.7
376.11395	1.3
376.15509	1.2
389.16055	4.0
390.13184	4.8
392.18808	5.1
395.84479	1.0
402.16989	81.2
405.15698	14.1
420.18076	100.0
438.19394	1.8
466.14902	9.8
582.23376	46.6
600.24207	3.3
610.22937	37.7
628.19519	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03393	2.1
85.02876	1.8
87.04428	1.9
97.02842	1.8
115.03937	2.8
116.07045	0.7
127.03831	0.5
133.04910	0.4
137.05988	4.2
165.31801	0.3
179.06943	0.6
206.96295	0.4
218.10435	0.5
218.92284	0.4
236.11288	0.6
245.08076	0.4
258.42773	0.4
267.62186	0.4
304.13300	100.0
317.12454	0.9
466.18817	14.5
628.23834	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92120	0.4
57.74012	0.3
64.92941	0.3
70.26411	0.3
89.38747	0.3
90.53923	0.4
92.20988	0.7
115.42221	0.4
143.32071	0.4
291.08850	0.5
292.09637	8.6
304.09607	0.8
306.07620	2.8
319.08423	0.7
320.09174	9.0
321.09955	32.0
334.10901	0.9
336.12292	100.0
425.56735	0.4
521.32977	0.4
628.32715	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63291	1.2
51.91762	1.2
52.42881	1.3
54.20767	1.4
56.64143	1.5
81.07032	1.7
90.27176	1.4
92.06480	1.5
95.08612	1.5
119.08603	1.8
121.10126	2.2
133.26552	1.5
149.53854	1.6
161.11101	1.7
190.79749	1.4
209.63509	1.5
320.09238	22.4
321.09827	3.7
334.10529	2.1
336.12286	100.0
350.10364	2.4
612.97339	1.9
628.32739	69.6
628.43176	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88409	0.4
61.23935	0.4
78.75917	0.4
96.65262	0.4
107.43401	0.4
156.05939	0.5
232.03493	0.4
292.09631	8.7
304.09778	1.5
306.07642	2.0
315.16382	3.1
316.16580	4.1
320.09164	13.7
321.09964	30.6
326.99002	0.5
333.17429	6.4
334.03146	0.4
334.10464	0.7
334.17715	5.3
336.12292	100.0
351.18448	1.7
352.18832	1.5
390.17041	0.6
494.47781	0.4
567.01929	0.5
610.38568	0.6
628.32703	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.05519	3.6
57.07076	1.9
67.05501	21.6
69.03420	3.6
69.07060	8.8
71.05006	2.5
71.08617	1.9
73.02920	26.4
73.03282	2.9
73.09307	1.7
79.05490	7.5
81.03426	21.6
81.07062	25.9
83.08627	4.1
85.02895	4.7
85.06561	2.4
86.09139	1.7
86.90759	2.1
87.04448	2.5
91.05445	7.5
92.20906	2.3
93.07048	9.7
95.08613	20.5
97.02891	12.5
97.06512	2.6
97.10172	2.9
99.03815	3.9
99.04451	100.0
105.07011	5.1
107.08559	5.0
109.02891	4.1
109.10150	14.0
119.08561	4.0
121.10188	3.7
123.11739	7.7
127.03883	4.7
131.08525	2.3
133.10107	9.9
135.11710	4.6
135.51108	1.9
145.04938	2.1
149.13307	3.9
151.11137	2.2
182.17334	1.9
196.06882	2.1
203.14067	2.4
214.93564	2.0
243.08630	17.0
249.22151	3.2
270.48065	2.0
319.08292	2.3
320.09158	4.4
321.09857	2.6
334.06934	7.9
334.10693	19.6
334.53726	2.4
335.07669	3.9
336.12094	4.1
339.23074	3.4
350.10172	10.3
357.24243	16.8
375.25223	10.5
377.96930	2.1
393.26437	3.6
455.27841	12.5
473.28836	20.2
483.67731	2.7
491.29904	11.9
628.32733	31.4
628.42188	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.9
78.76487	0.7
80.98182	0.8
81.07075	0.8
88.07671	3.1
92.20889	1.5
95.71663	0.9
98.34142	0.9
106.08679	1.1
109.10203	1.3
133.44501	0.8
137.09578	0.8
153.13904	1.3
154.12268	22.7
168.13841	20.3
168.15111	1.0
171.14905	9.0
176.07071	1.5
182.15445	7.0
185.16441	6.4
199.18140	1.4
256.26495	5.4
274.27399	100.0
292.09821	3.7
306.07663	0.9
317.91531	0.9
318.07724	1.3
319.08337	6.5
319.23828	1.3
320.09119	14.9
321.09970	19.0
322.10559	1.3
334.10809	10.4
336.08542	2.1
336.12265	60.2
337.12650	9.7
337.25116	3.2
338.13705	1.6
355.25955	12.5
612.29425	1.2
628.32520	52.8
628.52551	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.9
78.76487	0.7
80.98182	0.8
81.07075	0.8
88.07671	3.1
92.20889	1.5
95.71663	0.9
98.34142	0.9
106.08679	1.1
109.10203	1.3
133.44501	0.8
137.09578	0.8
153.13904	1.3
154.12268	22.7
168.13841	20.3
168.15111	1.0
171.14905	9.0
176.07071	1.5
182.15445	7.0
185.16441	6.4
199.18140	1.4
256.26495	5.4
274.27399	100.0
292.09821	3.7
306.07663	0.9
317.91531	0.9
318.07724	1.3
319.08337	6.5
319.23828	1.3
320.09119	14.9
321.09970	19.0
322.10559	1.3
334.10809	10.4
336.08542	2.1
336.12265	60.2
337.12650	9.7
337.25116	3.2
338.13705	1.6
355.25955	12.5
612.29425	1.2
628.32520	52.8
628.52551	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46859	0.5
73.32242	0.6
75.12389	0.7
80.90303	0.7
100.81979	0.7
179.01347	0.8
185.53981	0.8
198.23228	0.8
219.71500	0.8
239.09402	8.0
290.08145	1.1
319.08398	4.5
320.09027	1.8
322.59192	0.8
334.10641	5.6
335.11249	1.0
396.12305	1.7
397.13159	2.9
411.11346	1.1
412.11353	23.4
424.11621	5.4
426.09689	22.8
440.05093	1.3
440.11261	46.8
441.12085	35.7
456.14365	100.0
585.20123	7.9
629.19153	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2204
Annotation	Mulberrofuran K
Peak:m/z	Relative Intensity
50.97812	0.7
55.95520	0.7
57.79835	0.6
58.06631	0.8
58.87280	0.6
61.58152	0.9
64.80025	0.7
82.15692	1.0
92.21584	1.8
105.07055	1.1
121.06504	0.9
133.06485	1.6
161.06035	4.0
166.06326	5.4
175.07584	2.1
181.08598	32.6
190.06326	5.2
199.07506	16.3
199.09076	0.9
205.08580	18.9
248.76161	0.9
262.58377	1.0
292.10898	1.1
303.10202	1.1
304.11041	5.3
305.08661	1.1
305.11761	7.2
307.13379	1.4
318.07800	1.2
319.08487	5.0
320.09485	5.9
321.11319	6.9
322.11026	1.0
334.10632	8.8
335.12680	1.4
336.13580	28.8
342.54434	1.0
367.15631	3.8
452.77530	0.9
469.16299	1.0
611.61102	0.9
629.22162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.15090	0.8
61.51631	0.8
67.39121	1.0
79.05508	4.2
83.32226	0.9
85.02939	0.9
91.05462	1.8
93.07071	1.4
103.05486	1.8
105.07027	25.8
107.04954	1.7
108.05768	0.9
109.06554	1.5
112.77027	1.1
113.50681	1.1
117.07024	1.3
118.04107	6.9
119.04938	5.1
121.06511	1.1
123.04521	1.1
123.08113	4.6
133.06485	31.6
135.04407	1.6
135.08064	7.0
137.06029	9.0
145.06517	1.9
147.04443	1.5
149.05945	1.6
150.06734	17.8
151.07553	6.9
157.14146	1.1
161.06007	7.3
165.09100	28.4
167.07019	32.8
173.05916	1.4
175.07654	1.2
178.06346	1.6
179.07109	2.4
181.04948	1.3
187.07451	1.2
191.07047	1.1
193.08598	100.0
201.05598	1.0
205.08553	4.0
211.09644	83.5
213.16342	1.6
216.07771	1.6
219.06447	1.4
233.08104	3.3
237.09161	1.7
241.19547	5.9
265.08643	1.1
309.07352	1.1
325.10611	4.1
334.10706	4.6
337.10654	1.4
357.13275	1.6
369.13120	1.4
373.12775	1.5
375.14246	7.1
400.15118	1.7
401.10889	1.7
401.15961	38.5
417.15533	9.3
427.17822	1.2
431.23721	1.1
589.27533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93880	1.7
52.20047	1.7
52.81828	1.9
80.59039	1.9
96.47453	1.9
133.10136	3.1
172.06062	2.1
196.21504	2.3
213.16243	2.2
249.10272	5.1
277.09680	4.2
309.12381	10.9
311.07986	2.1
320.09137	45.5
321.09442	47.1
323.10468	7.1
323.13962	8.1
334.10724	10.3
336.12296	19.8
337.12561	4.0
339.17401	3.8
356.13947	8.7
367.17007	5.0
368.14337	2.5
369.14963	2.9
370.15561	7.9
380.13684	3.3
384.13226	9.9
384.17157	12.4
385.18018	2.4
398.14389	18.0
398.18875	12.3
399.19342	2.4
401.13657	16.3
412.16464	13.1
414.14584	16.3
416.15872	11.1
428.15808	2.6
429.16696	12.4
430.17358	9.1
432.33929	2.4
438.14227	3.7
444.19138	10.6
456.15436	4.3
457.16022	11.2
458.16916	12.0
474.16394	9.1
488.18268	4.4
489.18979	42.8
490.19446	18.2
597.23236	21.8
611.24438	4.8
629.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2731
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
69.00429	2.2
73.04738	11.5
81.07035	2.8
91.05786	16.3
92.21494	3.4
117.99688	2.7
122.60550	2.7
132.69096	2.6
133.64810	2.5
144.43518	2.4
145.57579	2.5
155.60213	2.8
225.04280	4.8
226.04294	4.2
234.47458	3.0
263.87189	3.0
285.00864	6.2
299.06091	3.0
300.06201	4.1
315.57272	3.2
326.02155	2.6
371.10010	5.9
439.28174	3.1
497.84039	3.8
629.27448	100.0
629.43512	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74878	0.4
57.07074	0.4
58.83054	0.4
66.50111	0.3
72.29790	0.4
89.63170	0.4
92.20927	0.6
106.10126	0.4
109.10110	0.5
168.13835	0.6
176.07091	1.1
189.07892	1.9
190.08643	1.0
225.08963	0.6
229.07787	0.5
239.10803	0.6
251.10695	2.4
255.10237	4.1
274.27414	1.1
275.27737	1.6
292.09839	0.7
293.10077	0.8
318.07663	2.2
319.08456	0.5
320.09161	58.4
321.09845	4.8
322.10263	3.8
333.09811	0.6
334.10721	0.7
336.12299	8.9
337.12607	9.7
346.10696	2.2
371.11810	0.6
374.10168	0.6
436.24860	3.9
442.16614	0.5
470.17886	0.5
497.22028	0.6
611.30878	0.7
629.32257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55065	0.3
81.07078	0.4
86.12038	0.4
98.71269	0.4
137.46925	0.4
140.85928	0.5
176.07095	1.0
189.07750	1.5
190.08691	2.0
229.08734	0.5
243.10165	0.5
318.07761	2.4
320.09195	59.4
332.09244	0.6
345.10089	0.6
346.10834	0.9
368.12549	0.5
370.11041	0.8
372.08588	0.7
374.10110	0.7
436.25046	2.4
611.31232	0.6
629.32245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.9
95.52200	0.4
98.60726	0.4
106.72588	0.4
119.51729	0.4
176.07091	1.8
185.18623	0.5
189.07889	1.9
190.08667	0.9
211.73186	0.4
227.10713	0.8
232.93579	0.4
244.61604	0.4
251.10695	2.2
255.10136	3.8
279.10260	0.7
284.34573	0.4
292.09683	0.6
297.11264	0.6
299.27731	0.5
318.07648	2.0
320.09161	54.7
321.09814	5.4
322.10199	3.3
334.10754	0.6
336.08386	0.6
336.12259	11.7
336.15988	0.7
337.12640	9.2
338.13370	0.5
346.10669	0.6
386.10193	0.6
436.24881	3.1
439.17563	0.4
442.16531	0.6
447.19247	0.5
611.31427	1.7
629.32294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13509	0.4
76.56030	0.5
85.10145	0.4
115.61121	0.4
124.30482	0.5
153.42090	0.5
153.61725	0.4
176.07104	1.7
183.11514	0.5
189.07901	1.8
190.08620	0.8
213.05467	0.8
265.12238	0.9
283.13101	0.6
292.09790	1.7
311.12814	1.0
318.07663	1.8
320.09171	57.2
321.09796	4.6
322.10275	2.1
336.12253	17.7
337.12628	21.0
371.11768	0.5
373.09265	0.6
436.03238	0.5
436.25089	2.4
461.20270	0.5
483.21222	0.5
611.31262	0.6
629.32373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
59.42850	0.6
62.10674	0.6
65.78444	0.5
67.05503	3.6
67.47465	0.7
69.07069	1.0
72.64939	0.6
79.05491	1.0
81.07070	5.3
82.70504	0.7
83.05004	0.7
83.08641	1.0
89.81471	0.6
91.05479	1.1
93.07047	3.2
95.08618	1.6
103.82503	0.6
105.07027	1.6
107.08601	1.6
109.10173	2.8
117.05408	0.6
118.00518	0.7
119.08592	1.4
121.10126	2.7
133.10178	2.2
137.05981	2.4
145.10176	1.0
147.11693	0.9
159.11658	0.8
175.06229	0.7
197.28691	0.7
293.88538	0.7
317.20892	3.1
333.20535	1.0
335.22113	5.0
335.25754	0.9
337.12747	1.0
363.40704	0.8
403.48221	0.8
499.78473	0.7
550.85895	0.8
611.43225	7.0
629.43835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
53.25747	1.5
55.01879	2.7
55.05523	15.9
57.03432	3.1
57.07074	9.6
61.24711	1.5
67.05511	58.5
69.07072	26.6
71.04996	2.1
71.08618	11.5
79.05494	39.4
81.03429	27.6
81.06612	3.1
81.07062	57.0
83.04979	7.4
83.08630	13.0
85.06541	3.0
88.07621	2.4
88.60638	1.6
91.05481	26.1
93.07043	54.7
95.04957	24.9
95.08608	37.6
97.06551	4.1
97.10156	11.4
97.35323	1.5
99.08109	7.0
99.79581	1.6
101.67171	1.7
103.42697	1.5
105.07051	27.9
107.08597	41.2
109.06492	6.9
109.10146	25.4
111.08051	3.7
117.06987	8.1
119.08579	15.9
120.87572	1.5
121.10143	24.0
123.08064	3.0
123.11681	8.1
125.09637	12.7
131.08572	15.0
133.10126	20.9
135.08122	2.3
135.11664	14.5
143.08562	4.1
145.10147	8.4
147.11661	15.8
149.09645	2.8
149.13240	11.2
151.11176	27.1
159.11665	7.9
161.13248	15.4
163.14799	7.6
165.12772	3.1
171.11702	6.9
173.13271	7.0
175.14810	4.0
177.16385	4.0
179.14287	9.0
185.13280	2.7
201.16287	2.6
221.15314	2.1
242.24792	6.7
243.21027	9.0
259.20508	3.9
261.22028	12.1
277.21606	40.3
286.27573	2.4
290.26764	2.8
317.24649	2.0
334.10809	2.5
334.29660	1.9
335.25720	25.4
336.12155	2.4
351.25220	33.5
611.46667	100.0
629.46777	36.9
629.54865	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94108	0.3
65.06912	0.3
66.38007	0.3
68.09467	0.3
68.78319	0.3
77.72322	0.3
101.49804	0.3
127.01588	0.4
160.03952	1.8
165.05470	7.0
178.04996	23.1
206.04521	2.2
211.90611	0.4
252.06485	0.7
264.06708	0.5
265.07214	0.4
278.08154	2.8
280.06189	1.6
280.09683	0.4
281.06726	1.3
291.05243	1.6
292.06055	1.9
306.07608	4.7
308.05576	2.7
308.08646	0.4
309.06335	2.0
311.20554	0.3
319.04788	1.4
323.08267	0.4
334.07089	5.9
335.08139	0.5
336.04840	1.3
337.05801	5.5
338.06415	0.6
352.08145	100.0
362.30887	0.4
370.09198	58.0
630.08258	0.6
630.18152	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94108	0.3
65.06912	0.3
66.38007	0.3
68.09467	0.3
68.78319	0.3
77.72322	0.3
101.49804	0.3
127.01588	0.4
160.03952	1.8
165.05470	7.0
178.04996	23.1
206.04521	2.2
211.90611	0.4
252.06485	0.7
264.06708	0.5
265.07214	0.4
278.08154	2.8
280.06189	1.6
280.09683	0.4
281.06726	1.3
291.05243	1.6
292.06055	1.9
306.07608	4.7
308.05576	2.7
308.08646	0.4
309.06335	2.0
311.20554	0.3
319.04788	1.4
323.08267	0.4
334.07089	5.9
335.08139	0.5
336.04840	1.3
337.05801	5.5
338.06415	0.6
352.08145	100.0
362.30887	0.4
370.09198	58.0
630.08258	0.6
630.18152	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63157	0.4
57.16891	0.3
61.34393	0.3
72.29144	0.3
128.50038	0.4
129.71802	0.4
138.66451	0.4
201.68866	0.5
226.14188	0.5
229.31874	0.4
290.08234	0.5
292.09662	8.3
306.07651	1.9
318.07452	0.5
320.09177	100.0
321.09946	21.8
322.10129	0.7
336.12286	67.8
338.13733	1.7
346.10928	0.7
630.30670	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00491	0.2
56.39345	0.2
58.61036	0.2
60.10583	0.2
99.92964	0.2
101.39143	0.3
129.04631	0.2
160.72354	0.2
178.83235	0.2
225.68219	0.2
292.09662	3.1
318.07477	0.2
320.09152	100.0
321.09692	1.0
336.12268	6.0
347.24707	0.3
423.86002	0.2
630.30609	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38507	0.2
55.19132	0.2
110.46965	0.3
114.80495	0.3
250.03175	0.4
290.08066	0.5
292.09680	3.5
306.07773	0.4
318.07495	0.5
320.09167	100.0
321.09741	8.1
336.12289	22.5
336.16431	0.4
338.13730	1.1
474.17490	0.3
630.30988	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07845	0.2
50.25498	0.2
53.08946	0.2
55.62563	0.2
56.95544	0.2
104.31967	0.2
138.96524	0.2
152.48416	0.2
237.68401	0.2
277.07190	0.3
292.09628	2.9
318.07407	0.8
320.09152	100.0
321.09659	1.4
334.10727	0.3
336.12265	11.5
342.17108	0.3
515.70416	0.3
551.70154	0.3
630.30664	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22590	0.2
52.46133	0.2
54.98429	0.2
62.28234	0.2
67.59595	0.3
162.53139	0.3
180.10645	0.3
210.96999	0.3
213.72171	0.3
292.09668	3.2
309.24652	0.3
318.07541	0.3
320.09174	100.0
321.09793	2.4
334.10782	1.3
335.18985	0.4
336.12271	16.6
352.11960	0.4
490.36261	0.3
630.30591	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89531	0.2
51.35131	0.3
52.76071	0.2
64.10098	0.2
70.84869	0.3
74.86181	0.3
74.86640	0.3
107.58319	0.3
131.11058	0.3
264.03723	0.3
292.09695	4.6
304.05054	0.3
304.09744	0.3
306.07599	0.5
320.09155	10.5
321.06085	0.5
321.09955	13.2
322.10129	0.5
323.10931	0.4
334.10825	0.6
336.12296	100.0
337.12454	2.4
338.13364	1.4
415.17892	0.4
448.36090	0.3
557.56873	0.3
630.34229	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74434	0.7
56.61145	0.7
60.03524	0.8
61.81928	0.7
67.44707	0.8
69.37680	0.9
75.35378	0.8
76.76971	0.8
81.55912	0.7
85.55422	1.0
93.07026	1.6
99.04430	0.9
105.19305	0.8
158.71785	0.9
169.74539	0.9
218.30017	0.9
220.10686	1.0
290.26984	1.0
320.09134	10.4
321.09927	6.6
336.12256	100.0
337.12680	1.0
525.23492	0.9
630.33850	45.8
630.44342	12.8
648.53387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86023	0.4
52.76173	0.5
58.38417	0.4
71.06245	0.6
73.02915	0.8
81.03403	0.6
81.07048	0.9
83.08601	0.7
92.44699	0.6
95.08596	2.1
99.04453	5.8
107.08598	0.8
113.86160	0.6
121.10110	0.8
152.30431	0.6
208.07843	0.6
230.08334	0.6
242.24800	0.7
292.09729	2.9
306.07626	0.9
320.09262	4.7
321.09952	18.5
336.12283	100.0
377.27069	0.9
475.30832	0.7
538.70264	0.8
565.90161	0.6
566.53864	0.7
630.34290	49.6
630.44232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23980	2.6
53.38292	2.5
55.83339	2.9
60.37247	3.5
60.85614	3.3
74.07302	2.7
81.71068	2.9
87.95989	3.1
96.46735	3.1
115.98997	3.2
135.94101	3.3
147.06805	3.7
148.84178	3.3
229.04262	3.6
239.79356	4.0
250.93231	3.5
278.07773	5.4
289.07321	3.6
292.06039	3.6
306.07538	39.9
307.08453	26.9
320.09097	31.9
321.09906	55.3
322.10724	100.0
334.07031	5.0
336.12387	5.2
350.10135	19.9
519.18164	3.8
616.63116	3.8
630.34326	75.6
630.47339	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92570	1.3
55.19711	1.3
57.80703	1.1
67.05489	1.3
72.14038	1.4
77.77280	1.2
77.82860	1.2
80.40225	1.3
88.07639	2.0
90.26337	1.4
91.11884	1.5
93.07008	1.6
95.08559	1.8
98.01933	1.6
105.47129	1.7
110.84713	1.4
112.05063	1.8
145.94524	1.6
166.02612	1.3
242.24861	3.2
290.26886	6.3
295.39157	1.6
320.09186	6.4
321.09940	7.1
336.12286	30.3
337.12793	2.0
338.13159	2.3
344.09241	3.3
356.09229	2.0
361.09460	7.5
362.10300	2.8
370.10632	3.3
371.11630	1.7
374.10330	9.6
376.11862	1.9
401.12460	2.3
412.19009	6.8
430.16498	5.8
440.18692	11.7
441.19186	3.5
472.21179	33.9
474.76129	1.7
600.29889	2.8
630.34216	100.0
630.49176	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35651	0.7
54.26443	0.6
60.11747	0.6
60.21487	0.7
64.32216	0.6
68.38445	0.7
74.64040	0.9
92.05121	0.8
100.81771	0.8
109.55087	0.8
109.81996	0.8
124.21100	0.7
148.84261	1.2
159.04443	5.6
176.07072	1.7
199.86371	0.8
234.88774	0.9
304.58450	0.8
312.62680	0.9
320.09143	28.7
321.09866	3.9
322.10706	1.5
333.10092	1.4
334.10760	1.7
336.11877	1.5
376.11786	32.6
376.16391	1.7
394.13181	5.9
520.25000	1.0
630.34204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69092	1.3
61.05988	1.3
62.15349	1.2
62.74686	1.6
63.16293	1.4
70.77136	1.6
84.39580	1.5
86.06174	1.4
91.27148	1.2
107.30948	1.4
190.04951	2.5
195.23528	1.6
228.05199	1.6
290.26904	2.5
315.80408	1.6
320.09106	9.4
321.09708	11.2
334.10214	1.7
336.12302	100.0
349.39679	2.0
630.33850	52.8
630.44330	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34712	0.3
92.20970	0.4
101.71025	0.3
103.50491	0.3
111.74492	0.3
119.51113	0.3
138.34140	0.3
139.94011	0.3
172.30980	0.3
194.99715	0.3
292.09610	6.6
304.09756	0.4
306.07562	1.3
306.10803	0.3
307.11288	0.4
308.12744	0.6
320.09158	22.6
321.09946	21.4
322.10291	0.7
336.12289	100.0
337.12775	2.6
338.13293	2.0
395.06128	0.4
491.37897	0.4
630.34296	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85875	0.7
56.05032	0.8
57.07089	0.8
57.46446	0.7
58.06615	1.0
64.65890	0.6
68.17202	0.6
71.38882	0.6
74.06086	1.2
81.07072	3.4
88.07629	1.2
89.91332	0.8
97.62240	0.7
118.96017	0.8
122.08145	1.8
242.24767	13.9
247.88794	0.8
290.26880	26.6
292.09659	3.4
308.12799	10.8
320.09149	74.2
321.09863	3.5
322.10681	8.0
334.10724	3.2
336.08289	2.9
336.12262	42.4
337.13058	35.5
350.10220	1.9
351.10727	0.9
352.15427	100.0
430.19791	1.1
630.29968	19.2
630.37549	28.5
630.50299	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58209	0.4
57.07079	0.4
58.71038	0.3
59.58079	0.4
60.31819	0.3
66.42394	0.4
69.07089	0.4
71.33810	0.3
81.07091	0.5
92.20988	0.4
95.08583	0.5
113.77628	0.4
149.98782	0.4
155.34583	0.4
157.43002	0.4
184.75395	0.4
185.28212	0.4
185.61671	0.4
242.24808	2.8
290.26913	4.9
292.09729	1.4
294.11108	0.5
308.12796	12.6
320.09216	10.3
320.12756	2.3
321.09973	0.8
322.10696	6.4
322.14224	0.6
334.10641	0.8
335.07819	2.8
336.08759	1.1
336.12289	24.7
337.13065	36.4
349.70233	0.4
350.06458	0.4
350.10196	3.8
352.15427	100.0
360.12500	0.6
430.19974	1.6
453.52731	0.5
502.22000	2.0
630.38342	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69865	0.4
55.05512	1.0
57.07070	0.6
74.06052	0.7
74.30107	0.5
81.07076	1.2
84.54005	0.5
88.07630	1.1
89.06017	0.8
107.08609	0.9
121.97334	0.6
145.39804	0.6
196.78313	0.6
225.40337	0.6
242.24800	7.3
290.26907	17.2
292.09735	1.3
308.09457	0.9
308.12784	12.5
320.09094	7.6
320.12704	1.9
321.10144	5.2
321.13409	0.9
322.10654	7.0
334.10876	1.3
336.08716	1.3
336.12253	36.0
337.13062	37.8
346.10681	0.7
352.15414	100.0
358.10645	3.3
359.11417	1.0
360.12323	0.9
370.10620	0.8
386.15717	0.6
388.15417	4.9
430.20233	5.9
472.21057	3.4
473.38089	0.6
500.20160	0.8
502.22223	2.7
544.23297	3.9
586.31494	0.8
600.29395	4.0
613.45135	0.8
630.35156	57.8
630.49060	2.5
658.99048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.6
67.05505	0.7
68.80697	0.4
69.96682	0.5
70.53334	0.4
76.37215	0.6
81.07039	0.5
89.06016	0.6
89.44273	0.5
122.08133	0.8
200.90381	0.6
242.24774	4.5
290.26862	11.7
292.09802	0.7
293.09451	0.5
308.09229	0.6
308.12738	11.9
319.08411	0.9
320.09122	6.9
320.12766	1.9
321.09875	2.6
322.10724	7.2
323.11472	0.5
334.10635	3.2
335.07645	0.6
336.08423	2.2
336.12259	31.6
337.13046	38.2
338.13821	1.1
350.10019	1.8
351.10739	2.3
352.15408	100.0
388.15396	0.8
472.20859	0.6
630.38324	36.3
630.49231	2.2
635.61957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
55.05521	3.3
55.50444	1.4
57.07077	4.4
67.05503	9.2
68.60656	1.7
69.03435	7.1
69.07066	12.7
71.04996	3.2
71.08631	4.5
73.02924	24.7
75.91551	1.5
78.65092	1.5
79.05525	3.0
81.03436	15.9
81.07055	17.2
83.05027	1.6
83.08603	16.9
85.02914	8.2
87.04472	2.0
93.07043	4.0
95.04975	2.7
95.08624	12.5
97.02884	13.3
97.10164	14.3
99.04459	100.0
105.07027	2.4
107.08581	3.5
109.02879	4.0
109.10161	3.3
111.11770	2.3
119.08553	2.7
121.10152	9.1
125.09653	2.0
127.03916	11.0
133.10112	4.4
135.11703	11.7
135.92480	1.9
139.11186	2.6
141.05495	2.5
145.10095	2.1
149.13255	3.7
161.09583	2.3
177.12532	1.8
206.46661	2.2
233.22650	1.9
243.08594	24.5
251.23570	2.1
290.26855	2.9
292.09592	2.2
320.09024	6.8
321.09961	4.2
334.10925	3.6
336.12311	42.0
337.12592	2.6
341.24982	5.8
359.25842	9.0
377.26733	9.1
457.29556	18.6
475.30603	37.1
493.31662	23.9
511.32401	3.1
630.34662	18.3
630.43066	2.7
630.49622	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
55.05521	3.3
55.50444	1.4
57.07077	4.4
67.05503	9.2
68.60656	1.7
69.03435	7.1
69.07066	12.7
71.04996	3.2
71.08631	4.5
73.02924	24.7
75.91551	1.5
78.65092	1.5
79.05525	3.0
81.03436	15.9
81.07055	17.2
83.05027	1.6
83.08603	16.9
85.02914	8.2
87.04472	2.0
93.07043	4.0
95.04975	2.7
95.08624	12.5
97.02884	13.3
97.10164	14.3
99.04459	100.0
105.07027	2.4
107.08581	3.5
109.02879	4.0
109.10161	3.3
111.11770	2.3
119.08553	2.7
121.10152	9.1
125.09653	2.0
127.03916	11.0
133.10112	4.4
135.11703	11.7
135.92480	1.9
139.11186	2.6
141.05495	2.5
145.10095	2.1
149.13255	3.7
161.09583	2.3
177.12532	1.8
206.46661	2.2
233.22650	1.9
243.08594	24.5
251.23570	2.1
290.26855	2.9
292.09592	2.2
320.09024	6.8
321.09961	4.2
334.10925	3.6
336.12311	42.0
337.12592	2.6
341.24982	5.8
359.25842	9.0
377.26733	9.1
457.29556	18.6
475.30603	37.1
493.31662	23.9
511.32401	3.1
630.34662	18.3
630.43066	2.7
630.49622	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14148	0.5
55.05501	0.6
57.07086	2.7
58.06613	12.0
59.07380	1.5
60.08162	3.8
61.93889	0.5
63.93724	0.5
67.05516	1.3
69.07056	1.3
71.08625	1.5
77.70318	0.7
81.07060	0.9
83.08611	3.9
85.02883	0.8
85.10190	1.4
85.15799	0.7
85.31582	0.6
95.08594	2.8
99.04380	0.8
109.10191	0.7
111.08089	1.0
113.06020	0.7
121.10168	0.7
122.08108	0.7
129.95628	0.6
130.08675	0.8
134.16994	0.7
144.10202	17.8
157.08679	1.0
162.11243	3.2
218.13817	1.0
236.14917	100.0
242.24866	6.6
281.63428	0.7
284.88449	0.8
290.26852	14.9
292.09671	1.5
306.07571	1.1
320.09174	14.7
321.09958	6.3
334.10791	0.8
336.12268	77.5
350.10303	0.9
351.10492	2.9
352.11465	1.5
374.21786	15.0
392.22769	8.0
412.38058	1.0
456.36832	8.9
474.37857	18.8
612.43909	3.4
630.33954	38.5
630.45453	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
56.43797	2.5
57.03435	3.6
57.07067	11.7
67.05508	31.0
69.07072	32.3
71.05002	3.0
71.08630	37.6
74.60963	2.5
78.91029	2.2
79.05486	11.8
81.07053	39.0
83.08630	23.2
85.06545	6.1
87.08099	3.0
91.05461	3.1
93.07040	13.0
95.08608	42.4
97.06525	17.7
97.10174	15.6
99.08086	31.9
105.07059	3.7
107.08604	10.2
109.10143	25.7
109.10797	3.2
111.11718	4.0
119.08609	5.0
121.10138	17.5
123.11681	14.4
125.07682	2.5
127.11142	3.5
133.10133	10.5
135.11702	17.8
137.13243	4.6
139.11220	3.8
147.11696	5.7
149.13300	4.6
149.46028	2.5
153.12758	4.6
161.13274	3.7
163.28064	2.6
170.72690	2.4
207.21227	3.5
217.19476	3.3
242.24789	11.0
251.19998	10.2
271.22632	31.3
290.26767	3.9
320.09357	3.2
325.23627	21.7
327.25204	19.6
336.12408	4.0
343.24768	10.6
470.40509	2.7
519.34998	2.8
595.45679	100.0
612.47003	4.0
630.47223	14.8
651.00439	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82366	2.2
53.29850	3.1
55.05517	6.9
57.03442	5.8
57.07073	18.0
62.25716	2.9
67.05521	37.9
67.62498	2.7
69.07078	36.2
71.08633	48.6
79.05502	13.7
81.07072	46.5
83.04980	4.3
83.08636	25.1
85.06544	16.5
86.01484	2.7
88.07652	3.2
89.33141	2.9
91.05488	3.7
93.07043	21.3
95.08621	34.2
97.06529	17.2
97.10167	16.2
99.04446	6.0
99.08111	33.4
105.07054	6.3
107.08607	5.5
109.10155	31.8
111.11731	6.4
117.87959	3.0
119.08572	7.2
121.10134	15.0
123.11712	18.3
124.32706	3.5
133.10138	6.2
135.11676	26.6
137.13278	4.9
147.11636	6.0
149.13293	11.3
153.12773	12.5
161.13234	3.4
217.14503	3.7
235.20691	3.9
242.24794	6.9
251.20074	10.7
261.30615	3.1
271.22742	7.1
290.26953	4.8
312.93552	2.9
321.09738	4.3
325.23859	4.8
327.25241	44.9
336.12317	28.1
343.24869	36.0
371.20511	3.1
503.06155	3.2
577.44928	10.9
594.48108	3.5
595.45734	100.0
612.47089	11.6
630.34735	13.8
630.47931	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04993	2.4
57.07035	1.7
58.06553	2.6
60.04496	0.3
67.05521	0.2
71.08581	1.2
74.06078	4.9
85.03619	0.2
85.10129	0.5
86.06030	0.6
88.07633	2.6
93.05861	0.3
104.07045	0.4
105.14792	0.2
118.08659	2.1
122.08133	6.3
129.48732	0.3
147.96381	0.3
154.12263	5.4
171.14970	2.0
210.21974	0.3
228.23137	0.3
237.00331	0.3
242.24768	25.7
272.25818	0.7
278.08011	0.4
290.26886	100.0
292.09692	4.0
293.09845	2.0
294.10501	1.4
304.09616	1.2
305.10104	0.3
306.07523	0.7
308.08548	0.4
315.16211	1.4
320.09134	8.7
321.09903	16.6
322.10315	7.3
323.10645	4.2
333.17465	2.8
336.12283	50.1
337.12628	16.2
338.13019	12.6
341.24271	0.4
382.73212	0.3
470.23911	0.3
500.24847	0.4
516.24280	0.5
535.43445	0.3
586.31677	1.3
600.29352	1.7
614.30719	0.6
621.03625	0.4
630.33826	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41902	0.8
54.02798	0.7
77.75304	0.7
87.04485	1.4
98.51401	0.7
113.82350	0.8
133.22679	0.9
144.68065	0.8
151.54895	0.8
183.48557	1.0
227.72815	0.8
321.08682	1.1
324.10962	1.0
349.08347	1.0
350.09201	4.1
351.13437	5.3
365.11304	53.5
409.14307	1.2
443.54367	0.8
451.15347	1.1
454.55887	1.0
468.15060	0.8
469.16092	100.0
631.21368	69.2
631.32068	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09142	0.3
55.42840	0.3
57.93483	0.3
62.98267	0.4
68.86981	0.4
87.04406	0.4
101.62906	0.4
169.23131	0.5
195.92413	0.5
202.25949	0.4
243.87263	0.5
288.08777	0.4
322.09348	0.8
324.10977	2.5
325.40250	0.5
337.11819	1.6
350.09067	2.5
351.13235	4.9
365.11292	55.5
391.12689	0.5
409.13864	3.0
451.15314	1.6
468.15018	1.6
469.16061	100.0
500.78101	0.4
570.17804	0.5
631.21332	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90745	2.2
70.16705	3.6
81.07069	3.2
95.08602	3.7
103.11933	2.8
113.00094	2.5
113.40955	3.1
125.52440	2.9
128.45490	2.7
141.88721	3.0
181.12363	2.9
220.13046	6.6
237.45248	3.2
321.09262	3.6
334.23563	4.7
336.12085	4.6
337.12720	10.2
537.22754	33.9
555.23480	12.0
587.25958	4.5
613.24005	4.8
631.25317	100.0
631.34741	6.9
631.50372	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23916	4.1
55.05489	4.4
61.30070	4.0
63.23486	3.4
67.05503	19.0
72.64760	4.3
81.07073	20.5
88.42157	4.4
91.05452	4.9
93.07044	8.9
95.08645	6.8
100.11259	5.1
101.07133	5.7
107.08588	20.6
109.06485	6.3
109.10171	6.9
119.08592	19.3
121.10130	10.9
133.10130	51.4
135.08072	8.3
135.11688	6.5
137.09608	41.9
142.51028	4.3
149.13266	7.4
191.14337	32.6
246.80353	4.5
273.52744	4.8
319.08487	6.7
334.10739	16.5
369.98187	4.9
581.21002	6.9
613.47516	4.9
631.25348	100.0
631.35645	9.5
631.45142	51.8
639.41608	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92559	0.3
62.49391	0.4
64.38378	0.3
71.15107	0.3
71.71003	0.4
88.76806	0.3
100.43016	0.3
116.87751	0.3
155.03580	0.4
205.63243	0.3
210.43034	0.4
211.79575	0.3
217.42830	0.3
278.08081	0.4
292.09637	8.1
304.09653	1.9
306.07559	3.1
308.49597	0.4
320.09189	15.8
321.09888	32.1
322.10208	0.5
334.11011	0.4
336.12292	100.0
496.96661	0.4
525.99854	0.4
631.26355	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
66.45074	0.3
72.83839	0.3
74.64406	0.3
81.33802	0.4
91.65562	0.4
149.22070	0.4
149.33057	0.4
155.16365	0.4
174.99220	0.4
189.00568	0.6
196.04259	0.4
224.35817	0.4
264.87796	0.4
287.74417	0.4
290.26776	0.9
292.09503	0.5
293.09985	0.5
317.17841	29.5
320.09146	9.4
321.09604	11.8
322.10306	1.8
333.17395	0.7
335.15402	4.8
335.18896	100.0
336.12289	11.7
336.19189	2.6
337.12558	9.1
352.21405	0.9
353.19937	36.0
354.20480	0.5
358.20596	3.4
371.21149	1.9
376.21506	0.8
412.40118	0.4
595.40302	23.7
613.41235	6.4
631.33160	8.6
631.44147	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22025	0.5
56.96570	0.9
60.27633	0.4
64.47800	0.4
76.47713	0.4
115.40157	0.6
147.72133	0.5
277.10898	0.5
290.26953	2.2
292.09521	1.0
293.10004	0.7
309.09180	0.5
317.17853	40.8
318.18277	2.6
320.09177	6.1
321.09705	10.6
322.10214	6.3
335.18933	100.0
336.09222	0.8
336.12314	22.3
336.18964	7.0
337.09225	0.8
337.12607	18.9
337.16690	0.7
338.10074	2.0
352.21518	2.8
353.19855	23.5
358.20438	3.6
370.22601	2.7
371.22742	2.0
388.11526	0.5
595.40350	12.4
613.41187	6.3
631.33923	20.1
631.44147	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22025	0.5
56.96570	0.9
60.27633	0.4
64.47800	0.4
76.47713	0.4
115.40157	0.6
147.72133	0.5
277.10898	0.5
290.26953	2.2
292.09521	1.0
293.10004	0.7
309.09180	0.5
317.17853	40.8
318.18277	2.6
320.09177	6.1
321.09705	10.6
322.10214	6.3
335.18933	100.0
336.09222	0.8
336.12314	22.3
336.18964	7.0
337.09225	0.8
337.12607	18.9
337.16690	0.7
338.10074	2.0
352.21518	2.8
353.19855	23.5
358.20438	3.6
370.22601	2.7
371.22742	2.0
388.11526	0.5
595.40350	12.4
613.41187	6.3
631.33923	20.1
631.44147	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04748	1.4
64.34943	1.4
96.85390	1.2
105.03416	8.9
134.35829	1.6
156.87312	1.4
184.02715	1.5
198.27654	1.4
292.09723	1.5
305.07053	2.3
306.07608	14.0
306.10733	1.5
308.09348	1.8
308.13010	6.1
320.09155	17.1
321.10037	12.0
322.10663	7.1
323.11484	3.2
334.07071	93.5
336.08533	5.4
336.12274	100.0
337.09271	2.0
337.12894	16.9
338.10040	2.3
338.13748	12.6
348.08505	1.8
349.09430	54.6
352.11795	8.0
352.15607	6.2
353.15851	12.7
354.16193	8.7
397.13278	1.8
438.09543	1.6
544.74432	1.6
558.11584	1.9
560.13300	3.1
573.14136	9.7
574.11835	2.2
588.12921	16.1
604.16089	27.0
632.15619	85.6
632.35944	63.8
632.48846	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94479	0.3
54.36585	0.2
55.45755	0.3
55.50137	0.3
66.71645	0.3
71.44973	0.3
75.16264	0.3
88.59750	0.3
99.04469	0.4
128.40689	0.3
131.04988	0.4
132.82553	0.3
137.09727	0.3
148.05244	0.3
149.05989	2.2
164.07021	0.4
176.07066	2.3
177.07843	100.0
318.48026	0.4
452.13400	3.1
463.12866	0.3
470.08972	0.3
470.14456	20.9
632.19678	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70793	0.4
65.50610	0.5
78.73668	0.4
87.94823	0.4
96.65436	0.4
107.04902	0.5
120.43206	0.4
131.06358	0.4
145.02904	0.5
147.04417	0.5
149.04817	0.5
149.05994	1.6
176.07043	1.9
177.05368	3.3
177.07845	100.0
227.09453	0.4
272.41498	0.5
326.10147	0.5
443.17087	0.5
452.13879	3.2
452.19186	0.8
470.14435	19.1
603.40424	0.5
632.19629	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51683	0.2
63.01136	0.2
65.93594	0.3
71.76155	0.2
99.04416	0.4
128.87308	0.3
135.04353	0.3
147.04366	0.6
153.60641	0.3
162.05490	5.6
165.05476	7.8
174.30656	0.3
190.04810	0.3
251.09375	0.5
252.10266	0.3
267.08884	0.4
282.11212	1.7
283.08511	0.3
295.08331	3.4
296.05661	0.7
297.09970	0.4
308.08966	0.4
309.06476	0.5
310.07144	3.1
311.07880	1.6
313.09668	0.3
318.07684	0.4
319.08438	1.5
321.06421	0.5
324.05020	1.3
324.08679	0.3
326.10217	7.4
326.13754	0.5
334.10687	3.1
336.08658	1.6
338.06528	1.1
339.07407	10.6
354.09714	100.0
372.10776	54.7
376.22678	0.3
429.24625	0.3
536.97101	0.4
632.19757	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91650	0.3
60.04870	0.3
69.03398	0.4
70.06574	0.3
84.51432	0.3
93.40879	0.3
98.52859	0.4
99.04453	0.4
136.33502	0.4
137.06021	0.5
180.92757	0.3
258.07550	0.4
270.07635	1.2
275.54034	0.4
314.06329	1.0
330.07153	0.3
346.10782	0.4
354.09821	1.5
355.10629	0.4
356.09229	2.1
364.11737	0.6
374.10324	2.0
392.11304	1.8
410.12613	1.4
452.13461	3.9
454.11084	0.6
470.14450	100.0
477.18463	0.4
626.23199	0.4
632.09662	0.6
632.19586	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52217	0.3
57.25352	0.4
60.96305	0.3
149.05989	0.7
176.07053	0.6
177.07837	100.0
244.09605	0.6
259.25299	0.4
452.13309	3.8
470.14484	20.4
632.19653	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51279	0.2
57.02004	0.2
64.74039	0.2
66.12933	0.2
94.10360	0.2
104.57243	0.3
155.69635	0.2
241.82747	0.3
280.09647	0.6
308.09158	100.0
316.15097	0.3
325.96545	0.3
470.07913	0.6
470.14380	9.9
632.19720	33.6
661.51740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51279	0.2
57.02004	0.2
64.74039	0.2
66.12933	0.2
94.10360	0.2
104.57243	0.3
155.69635	0.2
241.82747	0.3
280.09647	0.6
308.09158	100.0
316.15097	0.3
325.96545	0.3
470.07913	0.6
470.14380	9.9
632.19720	33.6
661.51740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42497	0.7
77.25661	0.7
77.41457	0.7
105.99065	0.8
133.08742	0.7
141.02322	0.7
150.21080	0.9
202.23811	0.8
229.09351	0.8
290.08047	8.3
302.08200	1.7
304.05884	6.9
318.07541	8.6
319.04608	1.6
319.08380	45.9
320.09189	1.3
334.10730	91.7
408.12234	6.6
420.12543	2.5
422.10040	9.7
436.11786	15.1
437.12527	13.6
452.14929	43.3
465.57892	0.8
584.15704	2.9
598.17267	1.6
614.20184	5.9
632.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42790	0.4
89.44283	0.6
145.98535	0.5
148.69695	0.5
290.08014	8.0
302.08209	2.0
304.06012	8.0
318.07611	10.5
319.05057	1.0
319.08395	53.4
334.10751	100.0
396.97922	0.6
408.12299	2.9
420.12268	0.8
422.10196	5.4
423.09747	0.6
436.11719	9.7
437.12668	7.5
452.14920	20.1
470.16199	0.8
614.19995	4.3
632.21271	86.4
656.21381	0.6
660.72894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88911	0.7
60.37286	0.6
68.10434	1.0
87.29882	0.8
108.16270	0.8
110.46426	0.7
153.36801	1.0
241.51050	0.9
274.69644	1.0
290.08136	8.6
300.39432	0.8
302.07968	2.9
304.06012	10.0
318.07605	9.0
319.05011	1.0
319.08371	57.4
334.10724	100.0
632.21240	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86057	0.4
52.79498	0.4
59.49294	0.5
94.86186	0.5
111.96695	0.5
224.15370	0.5
290.08157	5.1
302.08261	1.0
304.05991	5.5
318.07504	8.3
319.08386	37.2
334.10736	74.9
408.12256	8.7
420.12430	4.4
422.10245	10.3
436.11841	22.8
437.12622	17.8
448.69867	0.6
452.14938	48.1
582.17664	0.8
584.15173	2.5
598.17017	3.4
599.18243	0.8
614.20184	7.5
632.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35376	2.9
73.36299	2.1
73.84927	1.9
76.03301	2.1
76.83557	2.0
89.21887	2.1
111.74114	2.3
139.26494	2.8
180.45526	2.3
214.22078	2.5
262.16147	2.1
290.08017	5.4
304.06113	3.7
318.07687	11.0
319.08444	51.8
334.10727	100.0
354.09671	5.1
404.15588	2.3
632.21234	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50053	0.6
60.65875	0.7
65.84305	0.7
72.32587	0.6
77.66731	0.6
99.81569	0.7
165.05518	3.8
179.95528	0.7
215.07936	0.7
216.69601	0.8
232.24898	0.7
244.18770	0.7
290.08191	7.6
295.08408	1.0
304.05954	9.3
310.06906	0.7
318.07474	11.1
319.08395	54.2
326.10159	1.2
334.10721	100.0
339.07556	3.6
354.09695	36.0
372.10849	17.9
632.21149	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91865	0.2
84.65637	0.2
88.36738	0.2
98.72017	0.2
98.72926	0.2
112.78162	0.2
143.44461	0.2
199.97366	0.3
221.42043	0.3
252.13535	0.2
276.06421	0.4
290.08093	7.4
302.08176	2.2
304.06058	8.4
304.09497	0.3
307.03284	0.3
318.07584	9.9
319.08392	51.8
334.10724	100.0
368.20416	0.2
437.12949	0.3
452.15076	1.1
470.16138	0.3
604.33423	0.3
632.21265	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26888	0.4
56.92652	0.4
61.17160	0.5
68.56126	0.4
70.99699	0.4
72.22807	0.5
75.48647	0.4
86.93756	0.4
90.97266	0.5
95.13560	0.6
99.04446	0.5
111.72108	0.5
132.80211	0.5
139.50909	0.5
175.03778	0.5
177.05452	1.2
181.08598	0.8
182.04062	0.5
215.44676	0.5
249.61076	0.5
255.63461	0.5
261.44568	0.5
285.16980	0.5
290.08163	11.1
302.08118	3.4
304.06015	10.4
304.09143	0.7
318.07608	15.8
319.08389	56.6
320.09152	5.0
321.09665	0.6
322.09958	0.7
323.11661	0.7
334.10733	100.0
336.12302	1.1
417.06674	0.7
440.10980	0.6
452.14926	0.8
619.45715	0.6
632.21271	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80306	0.7
61.21085	0.8
66.56969	0.8
75.98314	0.9
79.62232	0.7
85.95161	0.8
106.84192	0.9
129.80487	0.8
132.82971	0.8
136.98123	0.8
141.97589	0.9
176.45152	0.9
185.04912	0.8
233.80641	0.9
266.76001	0.9
274.82751	0.8
292.09811	4.0
306.07629	0.9
316.09698	1.9
320.09140	8.4
321.09891	16.8
322.10733	3.7
331.67560	0.8
334.10767	1.9
336.12286	100.0
337.12869	5.5
338.13638	3.3
344.09232	4.0
347.11954	1.4
352.11984	0.9
356.09280	2.1
358.07001	3.8
359.07877	2.0
362.10034	1.6
371.07852	1.1
372.08707	13.3
373.09439	9.6
374.10254	14.8
375.10904	1.9
386.10211	16.3
387.10953	10.1
388.11560	3.8
389.12158	1.3
399.10898	1.1
401.12216	1.1
404.11133	5.5
430.16183	1.1
456.21909	6.0
469.18625	3.7
484.21207	56.4
488.17017	4.6
489.17413	15.6
512.20734	34.4
530.21722	62.8
547.21857	6.5
548.23334	2.8
588.32709	1.7
616.31903	2.0
632.27832	29.9
632.35712	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70425	4.3
82.57354	4.5
85.62228	4.8
90.92841	4.0
91.05421	4.4
93.07082	5.0
99.04442	7.6
110.58848	4.8
133.59531	5.2
137.48006	4.3
247.25543	5.6
320.08957	6.4
336.12195	7.3
459.21719	61.8
460.22571	11.9
461.23486	5.7
519.24225	8.6
533.25562	69.5
542.40485	5.7
556.22180	6.3
572.26501	6.1
592.26770	95.5
632.28711	100.0
632.50494	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08194	1.7
61.08331	1.9
69.73262	2.1
81.07058	4.6
89.42292	2.0
93.07059	2.3
95.08645	3.0
109.10124	2.7
110.49415	2.2
118.28671	2.4
133.10167	3.1
136.84502	2.4
175.63446	2.1
196.60616	2.2
242.77135	2.5
251.14703	2.4
459.21774	39.1
460.22424	11.7
461.23160	5.4
517.22321	3.0
519.23865	9.5
533.25354	40.3
556.21686	5.1
577.24603	3.6
592.12268	3.0
592.26782	65.3
632.28699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18925	0.8
55.47842	1.0
56.88962	0.9
59.40818	0.9
63.88303	0.8
63.90633	1.1
82.52383	0.8
95.08601	1.1
102.43597	1.0
212.69551	1.1
292.09525	1.7
305.02774	1.3
307.08322	8.9
320.09167	50.3
322.10706	100.0
334.10944	4.0
335.11145	1.1
336.12479	4.7
338.13910	5.0
388.11774	5.8
514.71069	1.1
517.35669	1.1
534.42841	1.3
593.53009	1.1
632.32275	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17572	0.3
55.48719	0.3
83.33550	0.3
120.76991	0.3
122.08142	0.4
138.32877	0.3
161.71136	0.3
242.24953	0.5
243.25128	0.4
290.27002	2.3
291.27209	2.3
292.09668	2.9
292.27536	1.9
294.11050	0.3
306.07639	0.5
307.08459	0.3
319.08200	0.4
320.09161	100.0
321.09613	2.8
322.10547	4.2
324.36880	0.3
334.10834	0.7
336.12247	9.7
337.12582	1.5
338.13690	1.9
339.13699	0.4
383.13586	0.3
632.32050	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65951	0.2
61.33675	0.2
70.62234	0.2
91.42712	0.2
96.46002	0.2
113.92570	0.2
226.45987	0.2
292.09671	2.5
318.07761	0.4
320.09164	100.0
336.12238	3.1
546.64056	0.3
632.32178	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66032	0.4
85.17895	0.5
88.05519	0.5
98.79832	0.5
114.33321	0.6
242.35042	0.6
272.79648	0.6
294.11273	0.7
304.06174	0.5
307.08398	9.8
319.08389	0.8
320.09131	7.3
321.09634	2.2
322.10724	100.0
334.10577	3.4
336.08472	0.7
336.12268	3.8
338.13705	1.1
388.11603	2.4
581.36279	0.6
632.32227	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62836	0.2
54.77310	0.2
56.00756	0.2
64.36355	0.2
82.22726	0.2
88.62912	0.2
131.77272	0.3
170.87320	0.2
180.91423	0.2
222.44690	0.2
290.27121	0.3
292.09607	2.3
318.07318	0.3
320.09164	100.0
321.09424	1.1
322.10300	1.3
334.10983	0.5
336.12268	1.9
338.13586	0.5
379.18854	0.3
416.18536	0.4
435.25726	0.3
482.82779	0.2
546.39221	0.2
585.47449	0.3
632.32196	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50623	0.3
55.29802	0.3
58.45142	0.3
72.22913	0.3
81.07049	0.5
84.19015	0.3
92.20957	0.4
93.27781	0.3
94.04375	0.3
166.72382	0.3
178.30380	0.3
232.04552	0.3
260.16412	1.5
262.64835	0.3
290.26901	0.4
292.09695	1.6
320.09171	100.0
321.09677	0.4
322.10797	0.4
336.08633	1.0
336.12268	4.7
337.13037	1.2
338.13675	1.5
352.15375	1.7
354.16312	0.5
393.33438	0.4
433.57559	0.4
614.31006	1.1
632.32050	50.5
632.49268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23284	0.5
60.61123	0.6
69.53033	0.5
80.98981	0.6
95.09634	0.7
150.53300	0.6
162.58527	0.8
172.29472	0.6
292.09409	2.5
298.99643	0.6
308.12503	3.1
320.09167	100.0
321.09665	0.9
322.10678	1.0
336.12262	7.0
337.13019	9.8
338.13077	1.0
352.15424	31.3
388.09482	0.7
529.09277	0.7
632.31213	34.1
632.48950	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34515	0.4
72.55913	0.4
81.07138	0.8
93.89172	0.4
95.08656	0.8
110.17728	0.4
111.40278	0.4
133.53253	0.4
139.64386	0.4
140.75098	0.5
158.35538	0.4
237.67827	0.5
241.55368	0.4
242.24921	0.5
260.16367	3.2
292.09619	3.4
306.07660	0.8
308.09222	0.5
320.09164	100.0
321.09830	4.6
322.10645	0.8
322.54947	0.5
323.11572	0.6
336.12286	40.9
337.09283	0.6
337.12930	3.0
338.13751	2.6
352.11526	0.7
352.15387	2.1
477.46899	0.6
632.32153	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64045	0.3
63.03308	0.3
70.18814	0.4
81.97985	0.3
82.91706	0.4
95.42014	0.4
233.89366	0.4
292.09607	8.9
304.09583	0.7
306.07584	2.8
308.09222	0.5
319.08200	0.5
320.09158	71.7
321.09921	27.6
321.12839	0.4
322.10553	5.7
323.11221	2.7
324.11880	0.5
334.10620	3.5
335.11069	1.9
336.12271	100.0
337.12601	2.1
338.13708	2.7
339.13712	0.7
358.78726	0.5
462.43994	0.4
501.92880	0.4
632.32593	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44843	1.1
60.64978	1.1
61.42247	1.0
67.05515	1.3
71.16744	1.2
81.07566	1.2
84.40408	1.2
95.08588	2.1
98.68940	1.2
103.76938	1.4
107.08604	1.6
118.90630	1.5
168.95139	1.3
174.21266	1.4
199.78912	1.3
203.28300	1.2
282.40399	1.3
292.09647	5.9
294.94427	1.4
308.12790	1.9
320.09299	9.8
321.09924	26.0
322.10535	1.7
336.12299	100.0
337.13068	16.2
338.13763	5.1
352.15427	47.7
363.10892	1.9
372.01367	1.2
409.37943	1.5
632.36005	63.8
632.48621	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92718	0.4
51.96877	0.4
53.12099	0.4
54.89820	0.5
57.81204	0.4
62.07558	0.4
66.23581	0.5
67.05489	0.7
79.05472	0.7
81.07024	0.5
93.07051	0.8
94.04143	0.5
95.08575	0.6
105.07024	0.6
119.08633	0.6
292.09692	4.7
306.07849	0.5
308.12784	0.6
320.09097	4.1
321.09943	19.0
322.10703	0.6
327.37143	0.5
336.12277	100.0
337.13065	4.6
352.15421	9.9
380.34985	0.5
509.79416	0.5
567.91333	0.6
632.35736	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49642	0.9
53.03952	6.0
55.05513	5.7
57.03419	1.1
57.07087	1.8
67.05515	10.7
67.67389	1.5
69.03432	6.5
69.07053	8.7
71.05001	1.4
73.02921	19.1
79.05503	2.8
81.03414	14.5
81.07062	15.0
83.04990	6.3
83.08625	11.2
85.02916	5.0
85.06561	1.7
87.04494	2.3
91.05460	1.8
93.07051	5.3
95.04990	2.5
95.08617	13.3
97.02884	9.5
97.10168	5.2
99.04457	100.0
107.04993	1.4
107.08582	6.4
109.02892	6.0
109.10164	2.6
111.04460	1.3
111.11773	1.6
113.96662	1.2
119.08571	1.8
121.10173	9.4
123.11708	6.2
127.03902	10.4
133.10121	2.6
135.08087	1.7
135.11697	6.1
137.13319	1.5
141.05476	5.2
145.05058	1.4
147.11694	2.1
149.13243	1.8
174.05577	1.3
188.32236	1.2
225.30775	1.3
237.22090	1.9
242.24886	2.6
243.08675	15.2
243.25058	1.6
292.09805	1.6
317.24881	2.4
317.81662	1.3
320.09131	6.7
321.09805	10.0
322.10791	1.5
323.11560	2.6
327.23151	2.9
336.08646	1.9
336.12256	38.1
338.13727	7.2
345.24234	15.6
352.15335	4.7
363.25381	15.9
381.26498	8.7
443.27921	10.6
461.28958	24.6
479.30026	20.9
497.30896	3.0
632.36133	23.2
632.49451	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	5.4
60.34928	2.3
62.82957	2.3
69.03423	3.2
71.08639	6.3
73.02912	11.8
81.03426	13.5
81.07062	12.7
83.08614	5.1
85.02902	19.8
85.10169	4.1
88.39841	3.0
92.21461	4.2
95.08608	6.8
95.64963	2.9
97.02881	11.1
99.04464	100.0
109.02867	3.7
109.10165	6.4
117.05473	3.7
120.52242	2.7
124.12398	3.1
127.03921	13.4
157.24269	2.9
167.47191	2.6
199.57259	3.1
215.66313	2.6
215.96469	3.5
243.08714	19.8
267.78815	3.3
301.67850	3.2
359.13480	11.9
400.58295	3.3
481.31412	11.8
499.32272	4.7
632.37207	4.5
632.49786	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	5.8
57.07093	7.0
58.73372	4.9
73.02908	6.1
81.07068	6.3
88.11734	4.9
93.07043	6.0
95.08596	8.2
97.02850	6.3
99.04451	69.4
100.80273	5.5
127.03962	9.7
139.20013	7.0
199.63318	5.7
243.08650	35.5
336.12668	8.6
481.31628	35.9
499.32596	27.8
632.35065	10.2
632.43634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
53.91166	1.0
55.05522	1.1
57.07089	11.5
67.05502	5.1
69.03420	6.0
69.07071	2.3
71.08636	9.3
73.02918	21.0
75.52332	1.2
81.03428	16.2
81.07066	8.1
83.08621	2.9
85.02905	7.4
85.10200	8.6
87.04452	1.7
93.07059	1.1
95.08616	13.7
97.02895	19.8
97.10175	4.6
99.04452	100.0
109.02886	11.3
109.10148	8.9
111.11652	1.4
123.11722	2.4
127.03922	16.4
141.05479	2.2
145.04939	2.1
162.96718	1.3
176.62993	1.8
206.11595	4.9
220.13138	6.0
222.14613	2.4
225.07530	5.5
236.12508	4.7
237.12837	1.6
243.08621	26.2
253.25249	6.6
273.43265	1.2
318.24329	1.8
337.12540	1.6
338.13715	6.1
362.79779	1.4
397.29407	1.5
430.00040	1.4
477.31622	1.7
495.33200	26.1
513.34412	12.7
632.38776	1.7
632.49377	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79899	0.7
79.09637	0.6
81.03433	2.5
82.03597	0.6
83.04979	2.8
89.03946	0.8
99.04433	0.9
101.15103	0.6
109.02888	0.7
117.03374	4.3
141.27327	0.6
145.02850	35.8
147.04445	0.8
149.05934	1.0
150.08603	0.7
175.03903	1.4
177.05469	100.0
195.06456	0.9
205.05066	0.8
207.06512	1.4
217.95816	0.6
247.05965	0.8
269.51306	0.6
277.10651	1.2
290.08047	0.8
299.10825	0.8
307.10336	1.0
307.60657	1.4
308.10910	1.2
311.08786	0.8
315.11868	6.0
319.08310	3.2
320.08881	3.2
321.09296	2.1
322.10599	3.9
322.60916	1.0
324.08655	1.4
325.09006	3.1
329.11423	7.9
329.61905	3.5
334.10629	5.7
335.11188	5.7
336.12299	4.5
337.13089	11.7
339.10748	7.1
492.39365	0.7
495.61472	0.7
633.22443	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45449	0.4
55.21418	0.4
63.29304	0.5
74.96183	0.5
80.65704	0.5
102.20398	0.5
120.51218	0.6
129.07033	0.6
147.10382	0.5
161.05984	1.1
179.35330	0.6
181.08670	0.9
183.61156	0.5
187.07629	0.6
189.09224	0.5
203.11807	0.5
221.94229	0.5
251.20799	0.5
264.11774	0.6
292.09570	0.7
295.13385	0.7
305.28891	0.7
318.07724	2.5
319.08459	2.8
320.09106	27.2
320.12720	1.1
332.09290	2.5
334.10757	4.9
335.11337	1.2
346.10822	3.0
355.15518	2.5
362.10242	2.9
412.11792	0.8
426.13000	0.8
435.46262	0.7
436.11795	0.6
440.11447	1.1
442.16360	0.8
452.11237	1.0
453.12189	4.7
454.12793	15.3
455.13593	14.7
468.14453	9.0
470.15997	31.4
481.11578	15.3
481.18066	1.0
482.12225	0.9
496.13858	20.6
617.18970	0.9
633.22290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43143	0.6
55.65290	0.7
56.96323	0.6
89.33295	0.7
105.07079	0.8
121.06528	0.8
133.06546	3.6
161.05965	2.7
167.07005	1.5
193.08661	3.0
207.06879	0.8
263.13782	0.8
294.11359	3.0
304.09598	9.1
307.08340	12.2
318.07742	2.9
318.11237	0.8
319.07562	0.9
319.11084	12.3
320.09067	10.6
321.09702	1.6
322.10712	73.4
333.12387	11.3
334.10696	9.0
335.11234	2.9
407.83307	0.7
422.10007	6.5
423.10385	1.1
424.11639	1.4
426.13391	10.4
441.18109	19.9
453.11807	1.0
454.12924	10.2
469.17651	3.5
470.16083	1.5
587.18396	1.1
601.19965	0.8
617.19391	1.1
633.22351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43143	0.6
55.65290	0.7
56.96323	0.6
89.33295	0.7
105.07079	0.8
121.06528	0.8
133.06546	3.6
161.05965	2.7
167.07005	1.5
193.08661	3.0
207.06879	0.8
263.13782	0.8
294.11359	3.0
304.09598	9.1
307.08340	12.2
318.07742	2.9
318.11237	0.8
319.07562	0.9
319.11084	12.3
320.09067	10.6
321.09702	1.6
322.10712	73.4
333.12387	11.3
334.10696	9.0
335.11234	2.9
407.83307	0.7
422.10007	6.5
423.10385	1.1
424.11639	1.4
426.13391	10.4
441.18109	19.9
453.11807	1.0
454.12924	10.2
469.17651	3.5
470.16083	1.5
587.18396	1.1
601.19965	0.8
617.19391	1.1
633.22351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92054	0.5
52.63331	0.4
53.23466	0.4
58.52027	0.4
60.32684	0.5
66.82022	0.5
70.69946	0.5
93.63243	0.6
104.96294	0.5
124.40641	0.6
139.90074	0.5
188.37897	0.5
225.60229	0.7
292.09564	0.6
310.81992	0.5
318.07605	3.2
319.08157	5.0
320.09137	24.5
332.09061	1.7
334.10703	7.4
335.10999	1.3
336.12189	0.6
346.10623	4.5
362.10358	2.5
412.12079	0.7
426.13348	0.9
440.11105	0.9
442.16412	1.2
452.11612	0.8
453.12183	4.8
454.12796	20.2
455.13629	15.1
468.14362	9.8
470.15939	35.3
480.10715	0.8
481.11462	15.2
496.13879	24.3
617.19202	1.2
618.19891	0.8
618.41681	0.8
633.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
107.21396	0.4
121.06538	0.5
126.87231	0.4
127.07047	0.4
200.44672	0.4
261.82617	0.5
274.08643	0.6
275.09406	0.7
276.10272	0.8
289.78787	0.5
290.08276	0.9
291.08652	0.5
292.09644	0.5
294.11188	0.7
304.09695	7.8
306.10529	1.9
307.08374	10.9
318.07709	2.1
318.11115	0.6
319.10962	12.5
320.08981	8.3
321.09869	1.1
322.10727	66.1
333.12314	9.7
334.10767	7.4
335.11240	2.8
336.12198	0.7
337.12628	0.6
347.10281	1.0
376.19266	0.4
395.11685	0.6
412.11319	0.6
422.10175	5.5
423.11023	1.0
424.12180	0.5
426.13388	9.2
441.18112	20.4
441.23944	0.9
453.15161	0.6
454.12872	9.0
455.13812	0.7
468.14371	2.1
469.17560	3.2
470.16663	0.6
496.13901	0.8
587.18262	1.9
617.19659	0.6
633.22345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99585	2.1
85.10139	2.1
87.77626	2.0
89.96280	2.2
136.93147	3.9
154.94228	26.9
172.95235	68.2
190.96240	25.6
210.96773	21.6
228.97836	41.4
231.68355	2.4
246.98778	3.7
280.97256	10.6
298.98428	26.1
316.99466	39.7
317.17880	71.1
319.08575	5.0
320.09122	19.2
321.09561	19.5
322.10007	19.0
323.10876	13.5
324.11826	4.3
334.10635	4.9
335.18912	28.6
336.12317	5.5
338.13647	11.6
339.14081	9.6
397.14355	5.3
453.17056	56.8
471.18240	89.8
523.08673	2.6
633.23401	100.0
633.32446	25.1
633.52850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60785	1.3
53.11158	1.3
105.22475	1.3
105.69088	1.6
116.30011	1.3
130.84741	1.4
136.93095	2.5
138.16292	1.4
144.04869	1.3
154.94133	11.8
172.95229	26.6
190.96288	7.6
192.95659	1.6
210.96814	24.3
228.97835	32.7
246.98933	6.0
293.09894	2.2
317.17896	25.9
319.08304	2.3
320.09171	81.8
321.09497	84.7
322.10147	6.4
323.10675	2.9
334.10657	7.3
335.19141	12.0
336.12323	2.1
337.12711	2.1
338.13739	2.5
371.73486	1.4
397.14716	11.0
453.17117	63.3
471.18207	100.0
478.25165	1.5
494.19464	3.2
633.23157	42.5
633.32495	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89108	1.4
62.52931	1.5
92.21551	2.0
103.26180	1.4
103.88611	1.5
107.04971	5.8
113.35126	1.5
113.74268	1.3
124.05270	1.6
133.06425	2.8
137.05919	1.7
145.06532	2.7
151.07558	3.0
156.05772	1.8
159.08041	1.7
161.05991	3.6
167.07019	100.0
173.05984	3.0
179.07011	7.1
180.67004	1.8
181.05016	2.6
181.08647	2.4
187.07565	5.7
191.07104	2.6
193.08539	11.6
195.06494	2.9
205.08493	2.3
207.06483	5.9
207.76271	1.6
209.08121	2.2
217.08493	1.8
219.08127	2.7
221.09706	1.8
231.08026	5.9
233.05869	1.6
233.07976	2.3
234.08932	2.6
237.09016	2.4
247.07542	2.4
248.08257	2.1
249.09233	3.2
259.07687	2.1
261.08923	5.4
263.10657	6.5
265.08533	2.1
276.07831	3.3
277.08649	2.5
291.10300	2.5
293.08209	5.8
297.11221	2.3
307.09653	3.2
308.10156	2.1
309.11267	1.8
319.08414	7.8
320.08969	12.2
321.09610	1.8
323.09219	3.1
323.12738	2.0
325.10623	9.8
334.10764	11.9
335.11044	3.6
336.09930	1.3
336.12180	2.9
337.10641	10.2
339.12454	2.9
342.10883	2.1
345.13196	1.9
349.10495	2.3
350.11316	1.8
351.12076	3.3
353.10260	2.4
354.10840	2.0
357.13214	8.5
369.13364	10.4
371.14700	2.2
373.12704	2.2
375.14417	8.7
381.13309	8.1
382.14139	2.0
383.14703	6.1
399.14371	9.2
400.15018	10.1
401.10840	3.1
401.15909	65.9
409.59885	1.7
416.84634	1.7
419.16568	1.9
432.91498	1.7
445.86569	1.7
453.14749	1.8
573.66699	1.7
597.22247	1.5
633.22296	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66047	0.8
57.07084	1.4
81.07079	1.3
85.10538	1.0
93.07047	1.2
95.08579	1.6
101.80158	1.2
105.11835	1.0
107.08572	1.4
121.10150	1.2
135.11710	1.1
170.21539	1.2
219.96095	1.1
251.11731	1.2
291.88513	1.1
322.10556	1.5
323.11435	1.6
336.08749	1.5
336.12308	1.6
337.12943	2.3
338.13562	2.1
352.15424	6.9
353.15753	9.7
633.35986	100.0
633.51337	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.379
Annotation	Geissospermine
Peak:m/z	Relative Intensity
55.05499	0.5
60.96115	0.4
63.79123	0.3
67.05501	0.5
68.79575	0.4
68.97280	0.3
69.07057	1.0
73.91248	0.4
79.05465	0.6
81.07073	3.6
83.04959	1.8
88.07599	0.7
89.03887	0.6
92.21542	0.4
93.07028	2.4
95.04950	0.6
95.08611	5.8
97.06506	0.6
105.07036	4.4
107.08599	4.7
109.06468	0.5
109.10145	3.2
117.03361	0.7
119.08565	8.1
121.10151	4.0
123.11700	2.0
125.09642	0.5
133.10100	4.9
135.04407	4.0
135.11688	5.7
137.13278	0.8
142.31909	0.5
143.08540	0.6
145.02849	4.7
145.10126	0.6
147.11690	2.5
149.09592	0.6
149.13234	2.0
157.10097	2.3
159.11736	0.9
161.09573	2.8
161.13277	3.1
163.03893	88.1
163.14812	0.9
171.11665	1.9
173.13213	2.5
175.11264	0.6
175.14818	8.9
177.16376	2.6
183.11745	0.5
185.13271	1.8
187.14833	3.3
189.12802	0.5
189.16370	20.7
191.17929	1.6
197.13234	2.3
199.14816	4.3
201.12767	0.5
201.16394	1.9
201.93813	0.4
211.14854	0.7
213.16350	0.6
215.14401	2.9
215.17944	0.8
217.15839	6.9
227.17979	2.5
229.19475	0.7
235.16986	1.5
245.18965	0.5
253.19518	2.4
256.26346	2.0
267.20801	0.5
268.59274	0.5
271.20544	6.3
284.63507	0.4
315.35223	0.4
317.21295	0.8
320.09311	0.6
321.09811	0.9
322.10449	1.0
336.08713	0.7
336.12250	4.8
337.12595	6.6
352.24878	0.5
407.33029	2.0
435.32333	0.7
453.33783	0.5
462.36325	0.5
479.25739	0.4
506.34470	0.4
587.36890	1.5
633.37811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73217	1.2
55.05511	7.1
57.07075	2.6
60.54686	1.0
65.83871	1.2
67.05508	13.6
69.07074	10.4
70.06586	1.8
71.08643	1.9
79.05496	6.7
81.07065	18.5
83.04971	1.7
83.08617	6.4
84.87132	1.1
85.06535	1.8
88.07626	21.7
91.05484	6.6
93.07047	14.8
95.08609	17.2
97.06569	1.7
97.10187	2.8
97.56937	1.1
102.09178	5.9
105.07032	11.3
107.08624	10.4
109.10162	7.4
111.08098	1.6
118.66447	1.2
119.08577	11.4
121.10181	9.4
123.08057	1.5
123.11727	1.4
125.24527	1.2
129.07072	1.7
131.08569	7.4
133.10139	9.8
135.11714	5.7
136.31464	1.2
143.08580	1.9
145.10115	5.7
147.11693	6.3
149.09663	2.3
149.13271	2.0
157.10072	4.7
159.11617	2.3
161.13223	2.7
163.11226	1.9
171.11710	1.5
173.11807	1.9
173.13252	2.2
181.12173	1.5
185.13264	5.1
197.13196	1.6
201.16408	1.4
211.14937	1.4
219.10706	1.3
242.24754	14.8
256.26352	16.5
276.31525	1.3
290.26944	5.0
317.17847	2.1
318.18320	5.8
319.18259	5.0
319.24692	1.7
321.09729	2.9
322.10223	2.9
323.11026	1.5
330.16495	1.4
335.19006	10.7
336.12442	10.3
336.19193	13.9
337.12231	12.7
337.19272	9.0
338.13046	6.9
339.13458	2.3
353.19916	2.0
354.20538	5.6
355.20676	2.0
426.70328	1.5
497.39404	2.9
531.25354	1.5
541.45349	1.6
597.40436	2.7
615.40759	2.2
615.49359	7.7
633.32605	42.3
633.50708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55739	0.4
110.93197	0.6
116.12378	0.5
137.05992	0.6
139.23779	0.5
191.07011	0.5
246.48833	0.5
290.08090	9.7
292.09671	0.6
302.08130	3.1
304.06116	9.3
318.04227	0.8
318.07639	11.7
319.08401	52.3
320.09186	29.3
321.09488	0.8
334.10751	100.0
335.11575	0.6
538.10797	0.7
634.17157	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55739	0.4
110.93197	0.6
116.12378	0.5
137.05992	0.6
139.23779	0.5
191.07011	0.5
246.48833	0.5
290.08090	9.7
292.09671	0.6
302.08130	3.1
304.06116	9.3
318.04227	0.8
318.07639	11.7
319.08401	52.3
320.09186	29.3
321.09488	0.8
334.10751	100.0
335.11575	0.6
538.10797	0.7
634.17157	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19002	1.3
118.13155	1.6
200.32428	1.6
292.09732	2.1
307.08295	6.7
308.08685	1.7
320.09213	24.0
321.09723	2.9
322.10629	18.7
323.11127	2.7
324.12451	2.2
336.12335	11.1
350.10159	5.0
358.07019	2.2
389.08853	14.4
468.11026	1.9
483.13104	36.9
484.13940	12.5
512.13300	39.0
514.14661	9.0
528.12714	8.9
542.14398	5.6
543.15137	18.8
574.17126	23.8
602.16156	5.9
634.18842	100.0
634.30640	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17526	0.4
64.51720	0.5
65.77872	0.5
79.97787	0.5
89.86472	0.5
99.04466	0.8
111.58591	0.6
182.23965	0.6
183.89876	0.7
213.50136	0.6
331.11899	0.7
346.10791	2.2
349.09485	0.6
349.13217	2.5
350.10175	1.1
355.10394	0.8
362.13892	3.4
363.11304	0.7
364.11682	6.5
364.15530	1.1
372.12238	14.6
375.10947	2.5
376.12207	0.7
390.13339	18.6
394.13058	2.6
396.10413	0.6
400.47641	0.6
408.14359	22.6
410.16058	1.2
412.13840	2.2
426.11356	0.9
454.14893	7.4
472.16263	100.0
634.21259	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16439	0.5
58.78900	0.6
63.42652	0.6
70.06593	0.9
75.53326	0.5
83.63994	0.6
85.02940	0.7
99.04465	0.8
102.56864	0.6
121.06509	4.0
137.05971	3.2
140.76465	0.8
162.05563	1.0
164.07065	6.7
176.07060	0.9
177.07848	3.7
178.08629	3.4
204.06525	11.4
206.09357	5.4
222.07558	1.5
233.08167	3.3
247.09651	1.0
264.20206	0.7
333.13470	0.7
338.10471	0.9
350.10080	0.9
356.11200	1.4
362.13870	1.3
364.11731	5.2
364.15356	1.8
368.11383	0.9
372.12326	10.1
375.10898	0.9
376.11801	0.9
390.13318	13.0
392.15118	1.5
394.12964	3.1
408.14438	12.2
410.15948	2.8
412.13797	1.2
426.10995	0.9
426.16086	1.1
428.16870	9.3
436.13748	1.6
454.14960	34.5
458.81528	0.9
470.14478	3.0
471.14780	3.9
472.16159	81.1
586.30194	0.8
590.41357	0.8
634.21155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
94.27931	0.3
214.55086	0.3
290.08246	0.6
292.09644	4.5
294.07675	0.3
296.09500	0.4
305.56555	0.3
318.07623	0.7
319.08392	1.7
320.09171	100.0
321.09406	1.3
334.10678	2.5
335.10837	0.4
336.12247	2.0
555.93872	0.3
572.29749	0.7
588.29633	0.5
634.20557	1.2
634.30756	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93217	2.5
54.81627	3.7
84.64405	3.1
85.56717	3.4
86.00973	3.3
91.81396	3.2
107.09483	3.4
187.15207	3.6
269.64685	3.9
320.09103	59.9
321.09537	85.3
322.10336	85.1
323.11478	15.8
324.08337	4.5
336.12244	5.0
337.12866	4.0
338.13840	47.3
380.11166	25.0
402.34314	4.2
404.11426	25.1
418.09204	7.1
472.17722	7.3
480.19937	7.3
497.71927	4.6
500.17154	34.7
508.19495	15.5
518.18518	24.7
536.19092	45.5
634.22412	94.3
634.32745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	3.0
67.08503	0.3
78.79484	0.3
109.06470	0.4
131.18507	0.4
157.01491	0.3
189.40326	0.3
279.08774	0.5
292.09641	12.2
304.09741	1.7
306.07523	3.9
308.09320	1.2
308.22021	0.4
309.09924	0.4
320.09155	13.6
321.09933	28.6
323.11545	3.4
324.12204	2.2
334.10797	0.7
335.11539	0.8
336.12286	100.0
439.97272	0.4
634.27448	2.8
634.37140	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18980	0.5
55.51128	0.5
57.57198	0.5
66.47456	0.5
67.22890	0.5
72.07884	0.5
81.26500	0.5
103.35214	0.5
151.07823	0.6
190.77512	0.6
224.11197	0.5
292.09668	10.3
293.93454	0.6
304.09634	2.5
306.07721	2.2
319.08362	1.0
320.09171	39.6
321.09940	28.4
322.10577	1.0
323.11359	1.0
324.11905	0.7
334.10632	3.2
336.12280	100.0
612.80261	0.6
634.27887	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
62.20827	0.8
63.57460	0.8
66.81815	0.9
67.05493	2.0
69.07056	4.3
70.60880	0.9
79.05493	1.0
81.03462	1.0
81.07053	2.1
82.06561	0.8
83.08614	1.8
85.06572	1.1
90.67906	0.9
95.08606	1.5
99.04446	2.3
117.66180	1.1
135.11633	1.1
165.05499	4.8
190.04994	28.4
195.35706	1.0
218.04520	2.2
224.83353	0.9
306.07571	3.9
318.07693	5.1
320.05481	5.3
320.09012	1.9
321.06317	1.5
321.09885	2.1
322.06970	1.2
322.10504	3.9
331.04712	1.1
336.12418	1.5
337.12930	2.1
338.12711	1.6
346.07001	5.0
348.05182	1.2
349.05768	9.9
353.15619	1.3
364.08160	100.0
382.09207	67.5
382.14154	1.8
589.04413	1.1
634.33746	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21918	1.2
72.34399	1.0
74.99586	1.1
82.54308	1.2
93.22581	1.2
177.91693	1.3
238.14677	1.7
295.19397	1.4
421.23883	16.9
433.24188	2.8
434.24774	2.5
447.21732	62.6
459.21805	7.9
460.22150	9.2
461.23245	26.1
462.24179	22.3
479.24554	7.8
493.26318	6.5
494.26901	1.9
505.22427	2.6
519.24054	3.1
533.25525	24.0
534.26263	6.5
535.26740	9.9
574.28003	4.5
579.26105	7.8
592.26825	11.2
593.27606	41.2
594.27972	16.0
634.30255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.3
54.46608	1.6
55.05518	1.6
57.07081	12.1
58.07373	1.6
67.05524	1.6
69.03426	3.2
69.07064	8.1
71.04984	3.8
71.08628	10.7
73.02921	7.7
81.03426	12.8
81.07063	11.3
83.08621	8.4
85.02911	2.7
85.10179	3.3
91.05501	2.7
93.07042	10.5
95.04958	2.9
95.08606	12.8
97.02888	14.9
97.10139	2.8
99.04460	100.0
105.07073	2.7
107.08611	10.0
109.02892	8.8
109.10158	4.3
121.10133	3.6
127.03904	12.8
137.09605	17.9
145.10170	4.2
147.11636	2.9
148.17882	1.7
149.13272	8.8
157.10129	2.8
239.23726	2.6
243.08727	10.3
259.89316	1.7
334.10648	7.1
459.20087	2.0
481.31522	12.2
499.32623	14.6
634.40161	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
53.61196	1.4
56.04771	1.5
57.07080	11.8
64.58398	1.6
65.22867	1.6
66.25000	1.7
67.05511	4.4
69.03414	3.8
69.07050	3.1
71.08638	11.6
72.07339	1.7
72.08874	1.8
73.02911	19.7
81.03425	16.5
81.07072	8.3
83.08644	2.8
85.02927	2.3
85.10179	3.8
87.04460	3.0
93.07040	2.8
95.08597	10.3
97.02917	25.6
97.06516	1.9
99.03815	3.5
99.04459	100.0
99.05095	4.2
107.08591	2.2
109.02876	10.3
109.10139	2.4
121.10161	3.1
127.03904	15.3
141.05429	2.3
146.66882	1.9
225.07628	7.6
239.23680	7.3
243.08675	21.9
284.93176	1.8
291.23395	2.0
336.12405	2.2
337.13080	7.6
352.15359	21.9
481.31488	24.2
499.32761	13.9
634.40906	10.7
634.49487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	13.9
67.05511	9.1
69.07054	9.3
71.08639	51.6
74.78613	4.9
81.07062	23.4
82.59073	6.3
85.10201	24.0
87.04472	10.4
89.06037	100.0
93.07027	6.8
95.08620	6.7
119.08604	8.3
121.06516	13.7
133.08627	37.2
177.11250	9.3
247.20546	37.5
276.92810	6.6
291.22952	7.1
319.08368	8.0
320.09232	12.2
321.09625	11.8
322.10162	8.9
334.10590	40.0
336.12399	25.9
337.12674	23.9
338.09891	19.4
356.11429	7.0
536.39642	9.6
576.91119	7.0
617.42419	68.5
634.34625	43.0
634.45117	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.197
Annotation	Acacetin 7-(4'''-acetylrutinoside)
Peak:m/z	Relative Intensity
50.96662	0.3
52.42406	0.4
53.27654	0.3
61.20150	0.4
71.04994	3.6
83.04987	3.1
85.02905	0.7
86.33588	0.4
89.28014	0.4
111.04448	3.7
113.06038	0.6
117.46374	0.5
127.83832	0.4
129.05521	3.1
171.06534	1.0
179.03421	0.5
189.07573	4.8
233.93646	0.5
270.05222	1.0
273.94849	0.4
274.33618	0.6
285.07571	100.0
309.24091	0.4
447.12851	13.4
635.19116	6.5
646.59277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
61.02911	0.4
67.05502	0.7
67.33714	0.4
69.64977	0.4
83.04985	10.0
85.02906	24.6
111.04438	5.5
127.03951	0.8
129.05481	2.8
141.64619	0.5
145.35933	0.5
162.07497	0.5
171.06526	19.0
185.50162	0.5
189.07550	8.8
270.05194	1.0
285.07568	100.0
302.50485	0.5
447.12909	9.7
447.18951	0.8
617.18701	0.8
627.11700	0.6
635.19928	7.1
645.06921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1971
Annotation	Acacetin 7-(4'''-acetylrutinoside)
Peak:m/z	Relative Intensity
51.21772	0.2
51.29287	0.2
55.41275	0.2
57.30027	0.2
61.50582	0.3
62.11764	0.2
65.99536	0.3
69.03428	1.6
83.04976	1.2
111.04437	1.1
118.91853	0.2
129.05446	1.6
189.07596	0.4
192.68408	0.3
243.59995	0.3
270.05179	1.7
285.07565	100.0
417.39194	0.3
447.12845	9.6
635.19727	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80167	0.9
58.23549	0.8
62.11355	0.9
68.12089	0.8
81.07040	1.3
81.33951	0.9
82.17558	0.9
87.17332	1.1
90.52786	0.8
92.16472	1.0
136.93192	1.5
154.94162	11.4
172.95224	22.7
173.05157	1.0
190.96320	7.7
192.95761	1.8
210.96825	24.3
212.98317	1.3
222.14047	0.9
228.97853	35.2
229.00098	1.5
246.98969	5.5
250.84949	1.0
251.99458	1.2
285.07535	5.6
305.21820	1.2
316.99631	1.1
319.19513	13.6
320.09180	3.6
321.09573	2.0
322.10126	1.8
323.10703	1.3
335.19040	1.2
337.20490	22.7
355.21567	1.1
359.84680	1.0
360.22574	1.2
399.15747	3.2
417.17014	4.3
455.18655	22.8
473.19803	100.0
474.31146	1.1
496.21555	2.3
635.24951	69.6
635.32666	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17372	1.1
55.55876	1.1
56.97248	1.3
58.06607	5.9
58.97455	1.0
71.04991	1.7
78.18280	1.5
81.07039	1.3
101.58639	1.2
109.10172	1.3
136.93178	2.4
154.94164	10.6
172.95210	25.1
190.96350	9.8
192.95795	2.2
210.96774	25.7
212.98462	1.5
228.97810	33.7
246.98802	3.3
289.71063	1.4
319.19315	14.5
320.09250	11.6
321.09451	25.1
322.09857	23.6
323.10144	13.4
324.11646	2.2
335.07669	2.1
337.20462	25.5
338.14011	6.1
339.14169	6.4
399.16187	5.5
417.17007	3.1
455.18692	24.1
473.19748	100.0
496.21130	3.2
635.24664	67.9
635.33643	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17372	1.1
55.55876	1.1
56.97248	1.3
58.06607	5.9
58.97455	1.0
71.04991	1.7
78.18280	1.5
81.07039	1.3
101.58639	1.2
109.10172	1.3
136.93178	2.4
154.94164	10.6
172.95210	25.1
190.96350	9.8
192.95795	2.2
210.96774	25.7
212.98462	1.5
228.97810	33.7
246.98802	3.3
289.71063	1.4
319.19315	14.5
320.09250	11.6
321.09451	25.1
322.09857	23.6
323.10144	13.4
324.11646	2.2
335.07669	2.1
337.20462	25.5
338.14011	6.1
339.14169	6.4
399.16187	5.5
417.17007	3.1
455.18692	24.1
473.19748	100.0
496.21130	3.2
635.24664	67.9
635.33643	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2854
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
53.52716	3.2
54.02100	3.6
60.30293	3.4
81.07049	6.7
93.71136	4.0
136.64432	3.4
160.09898	3.3
180.49733	3.6
212.07196	3.7
398.12833	4.3
502.22708	4.6
533.25232	17.9
535.11041	3.9
540.50427	3.9
547.23059	5.3
575.26440	44.9
589.84070	4.4
635.28485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02290	1.5
66.66911	1.3
75.60064	1.4
81.07068	1.7
81.11878	1.4
81.45484	1.7
85.27398	1.3
93.07081	1.5
130.38577	1.5
162.92963	1.5
196.85995	1.5
213.95355	1.4
352.15326	1.7
459.21759	2.8
460.22754	3.3
461.23669	2.0
473.19519	2.5
487.21182	2.2
502.23849	6.2
503.24918	6.6
533.25714	12.2
547.26935	7.5
560.23065	2.2
575.26709	38.2
593.27539	2.8
635.28705	100.0
635.40710	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2862
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
52.43772	0.4
56.15213	0.4
67.05525	0.5
72.99422	0.4
80.25989	0.5
81.07034	0.5
98.44818	0.5
133.10188	0.5
231.23996	0.5
247.66585	0.5
277.61795	0.5
285.07617	4.0
336.12183	3.7
337.12714	2.4
366.34830	0.6
432.23618	0.7
441.31329	0.6
445.20178	2.3
447.94617	0.6
459.21939	3.1
460.22662	5.5
473.18976	1.3
475.25284	2.6
487.21310	1.9
488.22296	1.9
489.22629	6.1
501.23099	2.1
502.16669	0.9
502.23660	15.6
503.24350	12.2
504.24893	0.8
515.24347	2.9
518.26996	1.2
519.23901	1.2
520.96960	0.7
529.25897	1.2
531.27924	0.7
532.24731	3.2
533.25464	0.8
534.26019	1.2
547.23376	10.3
561.24896	0.6
563.23047	0.5
575.26520	41.9
592.26904	0.7
607.29327	0.7
617.26660	0.7
635.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03273	3.2
53.12468	3.5
54.05899	3.9
71.39739	3.6
83.65654	4.0
100.40931	4.7
118.03556	4.2
124.59174	3.9
164.88585	4.0
183.60480	4.7
320.09180	4.5
459.21689	9.3
460.22284	7.0
517.22430	8.6
532.24451	5.9
533.25171	9.1
563.22809	9.1
577.24658	27.8
591.25763	6.3
592.26898	36.5
635.28583	100.0
635.38458	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2861
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
55.55830	1.1
56.97781	1.1
71.64381	1.2
73.76861	1.3
74.05130	1.1
81.07047	2.0
95.08624	1.7
117.74773	1.2
119.08655	1.4
175.45865	1.2
194.01453	1.7
218.68121	1.4
285.07739	1.4
285.40228	1.3
431.18631	2.0
433.23950	2.2
445.20395	1.7
447.21698	4.8
460.22440	9.6
461.23474	11.9
473.23508	1.5
489.22821	2.8
505.22775	1.6
547.26984	6.9
575.26489	27.9
635.28650	100.0
635.38507	4.4
635.50665	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12474	2.1
53.03951	5.7
53.18783	2.0
55.05520	6.6
56.22319	2.2
67.05502	19.1
67.43305	2.9
69.03432	5.9
69.07052	3.8
71.04985	3.4
73.02935	26.2
79.05502	13.9
81.03427	21.0
81.07063	20.0
85.02908	11.7
87.04458	4.0
91.05485	11.4
93.07042	19.5
95.04958	4.6
95.08609	15.8
97.02907	5.3
99.04456	100.0
105.07042	14.5
107.08581	12.2
109.10155	12.6
111.04417	5.1
115.03934	17.6
117.07018	4.9
119.08591	13.5
121.10168	5.6
127.03916	3.0
129.06955	3.6
131.08562	11.7
133.10115	6.1
135.11693	4.9
143.08519	3.4
145.10136	15.4
147.11682	7.0
159.08084	3.6
159.11668	11.6
167.06934	4.6
171.11650	3.2
197.09625	3.5
228.74251	2.6
231.94202	2.9
243.08644	7.1
259.20703	4.4
261.22156	3.4
275.50748	3.1
303.23099	4.3
337.12631	12.0
338.12943	5.9
339.13254	3.1
369.24109	15.8
387.25104	4.3
467.27997	13.8
485.28967	28.7
503.29703	14.5
521.29950	3.3
635.36578	23.2
635.52112	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25840	0.8
50.60663	0.8
63.11376	0.8
78.09843	1.1
81.07069	1.0
85.02888	1.2
86.53625	0.9
95.08597	1.5
99.04378	1.1
107.08624	1.1
199.14766	0.9
280.31870	1.0
330.89777	1.2
367.13306	1.8
587.67426	1.2
635.37561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11217	0.8
56.75752	1.0
58.74934	0.9
64.95348	0.9
65.20734	0.9
65.57184	0.9
71.08633	1.2
81.07054	2.3
95.08617	2.3
97.10201	1.0
99.08094	1.1
105.06988	1.1
126.93845	1.1
146.30234	1.2
185.16943	1.1
207.66350	1.1
293.20898	2.4
309.20380	4.8
316.26407	1.0
337.13483	1.8
349.23703	1.3
352.15442	5.5
353.15747	2.3
365.22913	4.8
635.44855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96120	1.3
55.05523	3.9
56.05036	9.7
57.07075	9.9
60.04522	3.2
67.05504	11.3
68.05031	3.9
69.06824	1.3
69.07073	22.2
70.96253	1.7
71.08628	11.4
79.05504	9.8
79.65401	1.7
81.07063	15.9
82.06607	2.3
83.08614	16.1
85.10191	3.7
86.06069	53.9
87.89502	1.5
89.06039	10.7
91.05472	8.0
93.07036	7.2
94.06580	3.0
95.08599	27.8
97.06495	2.5
97.10164	10.6
100.07621	6.1
105.07036	9.4
106.72929	1.7
107.08605	9.7
108.08116	1.8
109.10175	14.8
111.07999	1.7
111.11739	2.1
117.91798	1.7
119.08569	10.9
121.06544	2.0
121.10123	7.4
126.09095	2.1
133.10104	6.6
135.11693	6.6
137.13232	1.6
147.11697	3.6
187.37083	1.5
264.26764	13.9
276.26923	3.5
294.27930	100.0
304.85303	1.9
312.28967	68.5
335.11069	2.0
354.86209	1.8
425.77887	1.9
618.42572	8.5
635.45453	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42509	1.9
55.05515	8.2
56.05048	7.9
57.07073	12.1
60.04532	2.3
66.19176	2.3
67.05505	14.2
68.05020	9.0
69.07070	26.4
71.08624	8.3
74.60020	2.1
79.05482	12.9
81.07066	24.0
81.66883	2.0
82.06570	2.9
83.08618	12.5
85.10202	2.4
85.27970	1.9
86.06072	42.2
91.05482	5.0
93.07044	10.4
94.06546	3.3
95.08609	31.2
96.08131	3.1
97.06519	2.7
97.10177	10.1
100.07612	2.6
105.07059	4.8
107.08608	9.4
108.08124	2.7
109.10181	14.7
111.11712	4.2
119.08588	9.0
121.10114	4.5
123.11650	4.0
133.10133	9.4
135.11693	3.7
147.11700	8.4
201.51472	2.3
259.24167	3.3
264.26926	12.3
276.26797	4.6
294.27914	100.0
307.26541	2.3
312.28952	80.8
334.10794	4.1
339.84067	2.7
381.61127	2.5
418.62552	2.3
442.50006	2.2
618.42352	2.3
635.33246	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89743	0.6
73.61452	0.6
94.26402	0.7
103.03316	0.6
128.63600	0.6
131.11900	0.6
137.05959	1.2
145.74139	0.6
203.91179	0.7
205.66278	0.6
235.23625	0.7
235.74600	0.7
250.97839	0.7
284.11682	0.6
290.05368	1.0
290.08157	11.4
294.75864	0.9
302.08154	4.6
304.06076	12.8
305.07904	1.3
318.07593	14.0
319.08411	60.5
320.09244	3.6
320.58511	0.6
321.09900	3.3
334.10739	100.0
335.11008	1.2
336.12366	5.6
337.10776	0.9
355.11658	1.1
438.13409	1.5
453.24908	0.7
467.13672	2.4
636.18628	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89743	0.6
73.61452	0.6
94.26402	0.7
103.03316	0.6
128.63600	0.6
131.11900	0.6
137.05959	1.2
145.74139	0.6
203.91179	0.7
205.66278	0.6
235.23625	0.7
235.74600	0.7
250.97839	0.7
284.11682	0.6
290.05368	1.0
290.08157	11.4
294.75864	0.9
302.08154	4.6
304.06076	12.8
305.07904	1.3
318.07593	14.0
319.08411	60.5
320.09244	3.6
320.58511	0.6
321.09900	3.3
334.10739	100.0
335.11008	1.2
336.12366	5.6
337.10776	0.9
355.11658	1.1
438.13409	1.5
453.24908	0.7
467.13672	2.4
636.18628	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89743	0.6
73.61452	0.6
94.26402	0.7
103.03316	0.6
128.63600	0.6
131.11900	0.6
137.05959	1.2
145.74139	0.6
203.91179	0.7
205.66278	0.6
235.23625	0.7
235.74600	0.7
250.97839	0.7
284.11682	0.6
290.05368	1.0
290.08157	11.4
294.75864	0.9
302.08154	4.6
304.06076	12.8
305.07904	1.3
318.07593	14.0
319.08411	60.5
320.09244	3.6
320.58511	0.6
321.09900	3.3
334.10739	100.0
335.11008	1.2
336.12366	5.6
337.10776	0.9
355.11658	1.1
438.13409	1.5
453.24908	0.7
467.13672	2.4
636.18628	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92345	0.5
52.05015	0.5
56.47341	0.5
69.03424	0.6
70.06595	2.6
84.08125	2.3
85.02908	1.4
86.06042	0.7
86.09689	1.1
91.71699	0.7
108.12506	0.6
144.08101	5.2
145.02852	1.3
145.08403	1.3
175.03903	1.0
177.05464	5.2
207.06436	1.4
217.09834	1.3
224.06992	1.0
238.93858	0.7
242.55724	0.6
254.08083	0.9
255.08954	0.8
274.90009	0.6
282.07654	5.4
284.09149	14.2
298.07068	3.7
298.10638	0.7
306.07590	40.9
307.08279	1.2
308.05499	4.8
308.09167	8.1
310.07101	6.3
311.07877	0.7
324.08615	3.8
326.06671	14.8
326.10275	1.6
328.08157	9.4
334.10794	17.6
348.12109	4.6
352.08105	2.5
354.05988	4.5
364.11798	4.3
370.09180	6.5
376.11755	9.3
378.13422	0.8
394.12753	4.2
412.13834	5.2
428.13266	1.3
456.12839	3.8
474.13889	18.0
568.17841	0.8
574.19299	1.0
609.66400	0.7
636.19128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53185	0.9
55.89764	1.0
58.06609	1.9
73.59177	1.0
96.77891	1.4
102.94601	1.1
107.04976	1.8
126.66607	1.2
130.97803	1.2
136.31746	1.1
163.42979	1.3
163.52634	1.3
232.05940	1.3
269.30270	1.3
290.08167	2.2
292.09650	2.4
294.11301	9.7
295.11508	6.9
304.06030	1.7
307.08640	1.2
310.10767	2.1
318.07587	2.7
319.05084	1.3
319.08279	11.3
320.09055	12.6
321.09879	11.7
322.10715	20.3
323.11533	1.3
333.48914	1.3
334.10843	26.2
335.11081	8.1
336.12372	31.6
337.12625	2.4
338.13754	4.9
352.08139	100.0
353.08859	6.0
367.10510	48.7
367.14807	1.5
368.11285	14.1
428.11469	2.5
456.10562	5.3
474.15549	10.9
487.27646	1.4
636.20569	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42004	1.4
58.06600	8.3
58.56443	1.3
59.36082	1.4
63.65611	1.5
69.07071	2.3
72.36731	1.5
95.08582	1.9
97.10723	1.9
101.89439	1.9
102.24208	1.6
144.12416	1.9
265.08490	3.7
271.16830	2.2
294.11160	1.8
306.07687	1.9
306.11255	3.5
308.08951	1.9
309.09213	1.9
317.17447	2.9
319.08527	4.1
320.08948	8.4
322.10529	18.4
323.11185	31.9
324.11517	13.8
333.13519	3.4
334.10675	22.0
335.11417	12.6
336.12372	15.1
338.13876	17.0
348.12256	2.9
350.13855	44.6
351.14685	7.8
376.11630	2.4
392.14877	4.3
447.22601	2.0
486.15189	3.2
560.16742	7.0
574.18561	8.5
588.16333	9.0
590.21228	10.4
602.18115	3.2
618.21234	38.0
636.21875	100.0
636.33960	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72583	0.5
67.40456	0.5
131.10120	0.7
142.09865	0.7
154.12315	1.1
194.46048	0.7
293.29865	0.7
308.09100	1.4
309.09970	0.9
319.08533	3.3
320.09293	2.7
322.10788	8.4
323.11508	34.9
324.12344	3.3
334.10620	8.4
335.11554	3.4
336.12268	15.8
337.13138	3.5
338.13953	3.8
348.12308	1.0
349.13220	1.1
350.14014	4.7
351.10352	1.7
351.14642	38.2
362.14050	1.1
364.15433	1.1
376.11691	2.3
377.12656	3.6
392.14890	22.6
406.27557	1.1
407.28302	1.1
436.14044	1.1
458.16138	3.6
460.17560	0.7
462.15625	3.1
471.13092	1.1
484.13809	1.5
486.15521	23.7
488.17471	1.4
500.17346	0.7
514.15430	1.2
532.17657	0.8
546.18951	1.2
560.17065	1.0
562.22186	3.3
574.19098	1.4
575.19397	3.0
590.21680	30.3
591.79468	0.8
592.23676	1.1
602.16852	1.1
603.18793	1.7
618.21198	48.9
636.22278	100.0
636.31995	3.3
636.44336	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32846	0.2
52.06580	0.2
90.19756	0.2
91.13283	0.2
117.06153	0.3
120.06804	0.2
210.31271	0.3
275.11694	0.2
290.08069	1.2
292.09628	2.4
294.22128	0.2
304.06012	0.5
305.06674	0.3
309.93903	0.3
315.68539	0.3
316.49677	0.3
318.07654	1.9
319.08334	5.2
320.09149	100.0
321.09793	1.7
322.10562	1.5
334.10727	10.2
335.11081	1.6
336.12262	2.0
338.13934	0.2
364.03378	0.3
404.95758	0.3
636.18329	2.6
636.27716	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32846	0.2
52.06580	0.2
90.19756	0.2
91.13283	0.2
117.06153	0.3
120.06804	0.2
210.31271	0.3
275.11694	0.2
290.08069	1.2
292.09628	2.4
294.22128	0.2
304.06012	0.5
305.06674	0.3
309.93903	0.3
315.68539	0.3
316.49677	0.3
318.07654	1.9
319.08334	5.2
320.09149	100.0
321.09793	1.7
322.10562	1.5
334.10727	10.2
335.11081	1.6
336.12262	2.0
338.13934	0.2
364.03378	0.3
404.95758	0.3
636.18329	2.6
636.27716	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98959	0.2
61.55187	0.2
65.96437	0.2
73.06300	0.2
83.04985	0.3
85.02879	0.3
111.04435	0.3
120.08084	0.4
137.69521	0.2
147.04326	0.3
154.31061	0.2
177.05515	0.3
183.49544	0.3
204.91153	0.3
285.07547	4.0
286.07870	4.6
292.09628	7.9
304.06180	0.3
304.09656	1.6
306.07651	2.7
318.07629	0.4
319.05112	0.3
319.08243	2.0
320.09155	10.4
321.09927	24.7
334.10684	3.9
335.11032	1.2
336.12277	100.0
437.17291	0.2
448.13266	0.5
623.57275	0.3
636.28204	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45029	0.8
58.03200	0.8
74.11117	0.9
79.21421	0.8
91.05505	1.7
95.50961	1.0
99.04461	4.5
106.63295	1.0
107.04964	3.6
109.69348	1.1
119.04980	2.3
121.06484	4.0
121.22947	0.9
133.02859	2.0
133.06525	1.4
137.05991	4.9
143.51433	0.9
145.06454	3.2
147.04417	5.1
147.71355	1.0
150.98106	0.9
151.07582	2.4
153.05498	1.0
159.08058	3.8
161.05969	7.0
163.07532	1.4
165.09132	1.1
167.07028	100.0
173.05997	4.7
177.09264	1.1
179.07034	5.7
181.08554	7.4
187.07611	4.1
189.09132	1.6
191.07031	3.9
193.08621	11.2
198.56488	0.9
199.07593	1.2
199.91304	0.9
205.08620	5.1
207.06531	1.7
217.08626	5.5
219.10060	1.8
220.31526	1.0
221.11615	1.1
223.09605	7.4
231.10208	1.3
233.09691	1.2
237.09001	1.3
238.89163	1.0
240.66162	0.9
249.09090	2.2
249.11227	12.4
251.10593	1.0
260.08261	1.4
260.34659	0.9
261.09055	2.0
265.08408	1.7
277.08508	1.6
278.36063	1.0
281.11563	2.3
283.13144	1.7
288.10095	1.0
293.11600	1.5
309.11185	1.0
311.12607	4.3
320.09265	1.4
321.11206	1.3
325.14218	4.5
329.13919	1.3
336.12463	1.2
343.15427	5.7
361.16403	15.1
371.14877	5.9
385.16379	10.5
389.15881	35.3
401.32028	1.0
403.17432	4.7
421.18542	10.5
636.22192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11861	1.1
53.97459	1.1
54.58017	1.1
55.05517	2.7
59.61773	1.4
65.55826	1.1
67.05518	2.8
69.07063	8.7
79.05501	1.7
81.07056	10.6
83.08627	3.5
87.04483	1.4
89.06055	1.5
91.05477	2.0
93.07033	1.8
95.08597	5.4
97.10128	1.6
105.07011	1.9
107.00169	1.3
107.08572	2.8
109.10162	2.8
119.08564	1.9
121.10118	1.9
135.11662	2.8
142.39635	1.4
161.13319	1.4
167.85243	1.3
188.03282	1.8
277.07336	1.7
278.08307	1.5
290.08090	1.7
306.04120	1.6
306.07556	39.4
312.28870	1.8
318.07571	1.8
319.08276	16.3
320.09152	20.5
321.09937	28.6
322.07190	25.6
322.10745	5.0
334.07025	5.0
334.10660	37.0
336.05084	13.7
336.12234	2.0
350.06616	26.7
351.07401	46.5
366.09714	84.2
384.10779	100.0
390.72247	1.9
478.54211	1.5
619.42725	1.8
636.32428	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71328	0.6
55.05515	3.6
55.31412	0.6
55.71456	0.6
67.05505	4.4
68.28014	0.7
69.07087	7.8
72.18141	0.6
79.05495	0.9
81.07054	7.0
83.08635	4.0
84.22676	0.6
91.05464	1.1
93.07031	2.8
95.08604	5.4
97.10178	3.2
105.07047	1.6
107.08601	1.0
109.10166	1.7
119.08583	3.2
121.10153	2.6
123.11699	0.7
127.34233	0.8
135.11719	1.3
137.09615	1.0
140.55774	0.7
147.11720	1.4
153.76500	0.7
161.13271	1.1
200.73010	0.8
217.19350	0.9
278.08380	1.1
302.87830	0.7
305.06998	0.9
306.07605	40.0
307.08429	1.5
308.05435	1.3
317.00546	0.8
319.08176	4.0
320.09119	7.0
321.06198	1.1
321.09970	26.3
322.07108	26.5
322.10684	3.1
334.06985	3.8
334.10754	9.7
336.05057	9.1
336.12228	2.8
350.06561	24.1
351.07373	56.0
366.09735	88.9
384.10788	100.0
636.31854	22.9
653.59406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
59.33778	0.5
59.55289	0.4
67.05517	1.1
69.07075	3.3
74.49032	0.5
76.48853	0.5
81.07052	2.0
83.08614	2.2
91.05501	0.7
95.08604	3.6
97.10203	1.0
107.08629	0.8
107.39832	0.5
109.10165	1.3
116.45612	0.5
119.98568	0.5
121.10143	0.6
123.11748	0.6
132.38890	0.6
133.10149	1.0
135.11707	0.7
147.11681	0.6
161.13251	0.6
165.00031	0.5
243.25047	0.6
291.09424	0.7
294.07559	2.0
299.92587	0.6
305.06781	3.0
306.07639	0.8
308.05518	29.1
308.08707	1.5
319.08340	2.2
320.09198	6.1
322.07083	27.1
323.07907	47.1
324.11990	0.6
333.06198	0.6
334.10852	5.6
336.05038	64.5
336.11566	1.6
337.09433	5.1
338.10217	13.7
351.07385	77.7
363.27667	0.6
366.09738	100.0
382.53394	0.6
384.10782	37.4
618.30066	0.8
636.33002	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56842	1.3
53.89528	1.3
59.52231	1.6
61.12999	1.3
109.11376	1.6
144.13438	1.7
219.10100	1.7
224.13197	3.2
225.14005	2.0
227.62518	1.8
237.13991	2.4
239.15497	7.9
251.15465	2.1
385.02441	1.9
410.09882	1.8
422.24146	2.4
447.21432	2.5
448.22177	7.9
449.22113	2.8
460.22562	3.3
461.23157	7.4
462.23810	3.3
463.24399	3.9
474.22794	2.5
487.25513	3.4
488.25363	2.3
516.23657	2.5
520.25079	3.3
533.25507	18.2
534.25708	10.2
535.26428	13.8
545.25623	2.0
559.26874	11.0
560.28070	2.0
561.27698	2.4
562.27856	3.0
576.29169	2.9
579.26086	3.8
587.26227	2.5
593.27643	20.4
594.28076	22.8
595.28271	12.4
604.29138	21.5
606.27277	2.6
619.29218	36.7
636.31616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01275	0.5
61.06510	0.6
66.93571	0.5
67.05525	0.7
68.97112	0.6
69.07077	0.6
71.82158	0.6
79.05515	1.1
81.07076	1.4
81.32317	0.7
91.05486	0.8
93.07053	1.4
93.17706	0.7
95.05017	0.7
95.08620	1.5
107.08620	1.3
109.10207	0.9
117.51046	0.6
123.11596	0.6
206.31009	0.6
433.23843	0.8
445.24106	2.7
460.22745	2.5
461.27527	6.3
462.24036	0.7
473.23370	28.3
473.30042	1.1
474.23959	5.7
487.24478	4.2
501.22757	2.4
503.24454	2.1
515.24225	6.4
548.30261	10.5
561.28040	0.7
576.29700	100.0
604.29175	47.5
636.31995	34.1
636.42310	2.3
636.52777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
76.65678	0.3
86.89783	0.2
94.60875	0.3
94.95264	0.3
125.26943	0.3
136.33876	0.3
193.96014	0.3
290.08066	3.8
302.08151	1.3
304.06137	3.2
317.17593	0.4
318.07492	4.2
319.08371	28.1
320.09119	1.1
323.11548	0.5
334.10721	100.0
336.12399	0.6
627.87549	0.3
636.24548	0.7
636.33459	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.6
57.15500	1.5
58.06608	2.3
67.05507	11.0
69.03429	1.6
69.07072	18.5
72.56094	1.5
73.02922	2.6
79.58460	1.6
81.07046	12.6
83.08651	1.9
85.02921	4.0
86.33044	1.6
87.04474	1.5
89.06022	3.7
93.07048	8.7
95.04962	1.8
95.08601	23.0
97.02864	2.0
97.10173	2.7
97.86238	1.5
99.04473	1.9
105.07060	3.8
107.08611	9.2
109.10153	40.3
121.06539	3.0
121.10137	3.7
123.11676	7.1
133.10126	3.8
135.11708	3.9
161.05951	3.5
171.08051	1.8
171.11609	1.8
173.06029	15.8
175.07532	6.8
177.05511	4.3
177.09145	1.9
187.07550	4.4
187.11203	2.7
189.05478	3.1
189.09135	3.6
201.05418	21.6
201.09157	8.8
203.10690	9.0
205.05002	4.1
213.09041	2.6
215.07079	7.0
215.10684	42.1
217.08705	2.2
217.12221	16.6
219.06509	7.7
227.07155	2.3
227.10648	6.8
229.08655	8.4
229.12225	18.9
231.10165	9.1
233.08281	2.5
233.11740	26.2
241.12254	2.8
243.10107	24.7
243.13754	6.4
245.08118	2.8
245.11678	3.8
247.09621	2.7
249.11182	11.0
251.14267	2.7
253.12386	3.0
255.10156	2.3
255.13737	2.6
257.11810	2.1
259.09851	2.1
261.11224	17.7
267.13791	4.1
269.11682	7.1
269.15344	15.2
271.13562	2.5
271.16913	24.3
275.12750	3.6
281.12317	2.2
281.15311	18.5
283.13220	2.4
287.16422	2.7
289.14188	3.6
297.14902	6.8
299.16327	12.2
301.14343	7.7
309.14716	4.3
315.15918	14.9
317.17477	55.9
319.08228	2.4
323.11649	2.3
325.21613	10.3
327.15955	16.1
334.10623	14.3
336.12140	3.6
337.21613	18.4
355.22595	10.1
365.20990	7.3
371.22391	3.1
383.22159	100.0
393.27863	2.2
402.21747	2.3
432.03479	1.8
439.28348	11.4
636.31549	3.6
652.62445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	6.2
81.07036	5.5
89.06035	4.7
93.07051	6.2
93.29524	3.5
95.08600	18.1
107.08588	6.9
107.61607	3.5
109.10141	39.6
133.10033	4.0
135.11714	5.3
168.74721	3.5
173.05952	7.2
188.33759	3.4
199.07549	3.9
201.05479	14.3
201.09055	5.3
213.09137	4.4
215.10631	35.7
217.12303	6.0
219.06506	4.7
221.12962	3.5
221.81061	3.7
229.12257	7.1
231.10098	4.4
233.11758	14.4
241.12312	4.2
243.10190	15.5
243.13850	3.8
255.13754	5.2
261.11160	19.1
269.15366	15.7
271.16931	13.6
281.15311	16.4
299.16351	4.5
301.14410	5.9
315.15845	6.0
317.17343	41.2
319.08481	5.9
320.09103	17.3
327.15817	7.0
334.10559	14.1
336.12244	6.7
337.21490	15.2
355.22760	6.6
365.21194	7.4
383.22174	100.0
439.28534	6.5
459.44281	3.8
544.40039	3.6
567.46759	4.4
636.20154	4.0
636.30524	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
56.05035	7.9
67.05510	4.3
71.76524	1.9
81.07038	4.0
83.08630	2.5
86.09711	11.0
87.03490	1.9
95.08606	19.4
97.10165	10.0
99.04464	2.3
108.57220	1.8
109.10156	4.5
123.08135	2.5
132.10176	3.5
139.12299	2.1
140.10703	100.0
154.11150	2.9
154.12280	46.1
157.13367	71.9
168.13824	41.4
171.14900	15.9
176.75679	1.8
182.15405	12.6
185.16492	7.9
196.16980	10.1
319.24072	2.5
337.24915	10.2
355.25958	54.9
405.53729	2.1
421.37866	27.1
435.39221	8.5
449.41022	12.7
636.53662	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94054	0.6
77.04154	0.6
81.42223	0.7
133.49216	0.8
158.56198	0.7
222.40524	0.8
318.07404	0.8
320.09113	1.3
334.07162	0.8
334.10870	3.2
335.11075	1.2
336.12231	1.1
450.09842	1.2
565.13977	5.8
566.15247	2.9
577.14319	1.0
579.11932	11.0
592.13556	1.1
593.13409	26.6
594.14178	3.6
605.13617	5.1
607.11310	15.0
608.12555	1.2
620.12097	3.3
621.13049	18.6
622.13696	28.5
637.16052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
58.06598	0.6
83.92035	0.6
85.02908	1.3
88.04011	1.4
93.38236	0.6
97.02902	0.9
108.08112	2.8
137.05994	1.3
149.05975	5.3
152.07114	0.8
154.66753	0.6
169.03191	1.2
169.79962	0.7
171.70674	0.7
176.07100	0.7
178.08640	2.7
181.03198	2.5
183.04887	1.3
188.07063	27.9
189.07819	6.0
190.08624	4.2
195.04799	1.1
197.02762	0.7
206.08121	12.7
209.02693	3.7
222.05814	8.7
240.06943	0.8
249.69701	0.7
268.06342	10.2
272.51404	0.6
280.06277	1.1
291.06699	1.0
294.09235	0.9
296.05997	2.4
305.08231	0.8
306.08804	9.9
307.04132	0.9
309.05661	1.0
315.06866	2.7
324.09979	6.2
325.05435	0.7
327.06799	1.3
336.12326	0.8
337.05325	14.8
337.09235	1.1
337.13107	3.7
355.06290	1.5
368.09982	0.8
370.10931	2.9
386.10648	1.4
388.12131	14.4
430.13263	2.7
475.15341	41.5
619.23859	0.7
637.20520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
58.06590	5.9
68.67979	1.0
70.06564	1.3
78.54393	1.1
83.21937	1.2
85.02880	2.0
88.03947	1.5
99.04443	2.6
107.04871	1.2
112.47957	1.1
149.05931	4.7
169.03174	1.3
178.08649	2.5
188.07040	34.1
189.07788	6.8
190.08636	4.6
193.48300	1.2
206.08130	18.6
206.11787	2.0
209.02666	2.5
210.06438	2.5
222.05821	7.2
268.06354	9.7
296.05710	4.6
306.08792	11.5
309.05920	2.0
316.62527	1.4
324.09976	6.2
337.05307	14.2
337.13254	1.4
355.06177	1.5
377.02539	1.3
381.53464	1.3
388.12006	12.5
426.38550	1.3
430.13132	4.9
457.14081	2.1
475.15277	38.2
637.20349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77732	0.9
57.22838	0.8
67.65784	0.8
83.17683	0.9
84.04501	1.3
85.02925	1.1
87.53571	0.9
88.03979	1.2
93.54220	0.9
93.84171	0.8
97.94138	0.8
135.04430	1.8
149.06006	5.4
161.99878	1.1
169.03133	1.8
176.07080	1.1
178.08659	1.4
181.03204	1.6
181.60626	1.0
188.07059	25.4
189.07834	4.8
190.08640	3.9
206.08119	9.9
209.02676	1.8
222.05827	7.5
268.06308	12.9
280.06464	1.1
296.05804	4.1
306.08777	7.8
310.10016	1.2
312.12494	1.7
313.12726	4.0
315.06873	1.9
322.10886	1.2
324.10031	6.0
327.06821	1.2
336.12366	1.5
337.05350	10.3
337.13278	1.9
386.10815	1.4
388.12280	10.0
430.13202	1.9
475.15317	42.5
483.45291	1.1
637.20587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05521	1.3
57.03455	0.8
64.07215	0.8
68.37334	0.8
79.05521	0.9
79.51472	0.7
81.07046	1.5
82.32491	0.9
85.02912	1.0
87.70168	0.8
91.05502	1.2
93.07081	0.9
95.08590	0.9
99.04457	0.8
106.09487	0.7
107.08649	1.0
119.08574	1.0
127.03934	1.2
133.10188	1.0
143.08516	0.8
225.59000	0.9
302.12375	1.0
313.27463	1.2
336.12375	1.1
433.24078	0.9
448.87231	1.0
460.22870	1.4
461.23257	1.4
475.17557	3.7
477.23218	1.5
489.18884	1.4
490.19730	1.6
491.20831	5.6
494.59872	1.0
503.20749	4.0
504.21591	14.1
505.22473	14.3
517.22546	3.5
531.23932	1.1
533.25317	5.4
549.21014	9.9
577.24487	41.4
605.24158	1.6
637.26630	100.0
669.95599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.3
67.42085	2.5
79.05512	3.4
81.07072	6.5
95.08604	3.4
97.88657	3.3
222.91840	3.1
344.23117	3.5
489.19437	5.0
559.23492	6.6
577.30139	6.9
619.25397	14.6
637.26135	100.0
637.43768	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.15763	7.1
55.05516	9.5
77.90543	8.6
81.07050	11.0
92.21033	15.1
105.12362	8.8
121.42848	12.5
134.87965	11.0
229.49222	9.5
354.06573	12.5
374.17166	11.5
381.36740	10.7
460.94897	13.3
471.22354	11.9
499.21198	15.5
531.23651	17.2
559.23138	65.1
619.25232	100.0
637.26282	51.3
637.44232	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.12937	2.1
51.83445	2.0
56.51199	2.0
57.07064	2.9
67.05518	3.3
67.81085	2.4
70.30418	2.4
81.07061	2.7
86.59194	2.2
95.04940	2.8
119.08603	2.5
122.58886	2.3
264.46658	2.9
275.99445	2.7
447.21408	2.8
463.21017	3.4
489.18500	4.3
490.19672	14.4
491.20810	18.4
503.20679	9.9
533.25555	11.1
577.24451	45.5
637.26447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06204	0.6
50.14547	0.6
53.37915	0.8
53.66926	0.6
53.78969	0.7
55.05517	0.8
55.58614	0.6
63.39337	0.6
65.16294	0.7
67.05504	1.2
69.03439	1.1
79.05926	1.0
81.07066	1.5
83.05019	1.0
93.07054	1.2
99.04468	1.0
99.52970	0.8
100.49122	0.8
107.08615	1.3
109.10185	1.5
125.09691	0.8
182.36057	0.9
200.60602	0.7
461.23758	1.0
473.24338	1.0
475.17709	4.6
477.22949	1.8
478.23724	1.4
489.18875	0.9
490.19931	1.5
491.20593	6.8
503.21066	3.6
504.21545	19.3
505.22211	13.4
517.22339	3.5
520.24585	0.9
531.24127	1.4
533.26068	5.9
541.96027	0.9
549.20850	8.3
577.24506	39.1
605.23810	1.6
637.26630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63020	0.2
55.05464	0.3
58.06575	0.3
62.11946	0.2
67.05465	0.5
85.02827	0.3
93.07029	0.4
105.32041	0.3
107.08514	0.4
119.08531	0.4
130.62654	0.3
131.08553	0.5
131.66507	0.3
147.11650	0.4
285.07587	2.2
286.07794	1.8
287.08130	1.5
292.09637	6.8
304.09647	0.5
305.88974	0.3
306.07556	2.0
320.09161	8.4
321.09924	26.8
322.10626	0.4
336.12274	100.0
337.12488	1.1
337.39191	0.3
342.41965	0.3
383.26932	0.4
421.25772	0.3
422.26331	0.5
453.15610	0.4
590.02356	0.3
598.64917	0.3
637.27551	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78679	1.3
62.36718	1.3
64.15891	1.1
65.75758	1.2
122.00485	1.6
182.39114	1.6
211.62253	1.8
475.21301	6.4
503.24350	24.6
504.25488	2.0
513.26831	6.7
514.23920	7.2
517.26453	1.9
531.27930	2.4
543.27661	6.4
548.23499	1.6
549.24585	11.0
559.26917	10.6
563.27734	1.8
577.27679	1.9
578.29047	2.8
587.26776	3.5
619.29175	3.3
637.30286	100.0
637.51898	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.358
Annotation	VECURONIUM BROMIDE
Peak:m/z	Relative Intensity
51.89103	0.7
52.60559	0.7
55.07487	0.7
56.29900	0.7
58.06596	3.8
60.09706	0.7
60.53660	0.7
68.95972	0.7
69.03435	1.5
71.08632	4.5
72.96059	0.8
77.90982	1.0
81.07065	1.2
85.02905	1.8
86.09686	0.8
88.49339	0.9
99.08085	2.1
117.07011	1.8
129.07014	3.1
133.06535	1.0
139.23494	0.8
176.24191	1.0
197.13249	1.9
199.14854	1.1
215.14142	0.9
231.71606	1.0
237.09094	0.9
265.08459	1.1
265.69028	0.9
266.08893	1.2
275.16550	1.3
293.21335	1.1
319.08490	1.1
320.09164	1.2
327.23001	11.4
334.10660	1.6
335.11081	0.9
343.22842	1.3
345.24228	100.0
382.75391	0.9
507.29160	1.2
528.01917	0.9
535.28955	22.8
637.36047	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01885	2.3
55.05517	3.0
57.07075	4.0
67.05511	19.1
69.03424	8.2
69.07063	8.3
71.04996	3.0
73.02919	31.3
79.05496	11.9
81.03445	19.1
81.07067	28.7
83.04988	3.5
83.08614	4.9
85.02885	9.9
87.04462	4.1
91.05476	8.2
93.07047	10.1
95.04989	2.1
95.08603	24.3
97.02892	13.9
97.10205	3.5
99.04461	100.0
105.07041	4.0
107.04927	2.7
107.08591	8.9
109.02911	2.4
109.10176	9.8
111.04454	4.3
115.03925	11.8
119.08572	8.5
121.06497	2.3
121.10139	4.3
123.11702	3.1
125.23228	2.1
127.03931	11.0
129.06950	2.7
131.08542	4.7
133.10095	9.3
135.11719	2.1
145.10117	3.6
147.08200	2.2
147.11685	2.7
149.13306	2.1
157.10146	2.6
171.11647	2.4
187.14775	2.6
193.08707	2.9
197.09781	2.3
213.09692	1.9
243.08699	20.3
263.23746	2.9
329.24854	2.6
353.24817	3.1
371.25787	13.0
389.26971	8.8
407.27655	2.9
469.29309	3.3
487.30582	18.9
505.31494	8.1
619.25079	3.5
637.38501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.3
53.45948	2.2
55.01888	2.5
55.05524	3.2
57.03445	18.0
57.07080	40.8
58.06600	4.5
61.02932	54.2
67.05502	11.7
69.03436	20.6
69.07066	5.5
71.08625	31.1
73.02924	19.4
75.74226	2.1
81.03407	22.4
81.07051	23.5
83.04980	3.1
83.08622	12.7
85.02912	69.5
85.10169	16.4
91.03954	41.6
95.08621	23.0
97.02892	58.2
99.04471	11.5
101.02378	4.9
103.03979	4.5
109.02869	13.7
109.10155	11.4
123.11721	4.9
127.03902	32.2
129.05536	2.7
145.04961	6.1
155.35979	2.7
159.06609	3.1
183.06485	10.3
201.07553	5.0
221.76625	2.8
239.23671	10.1
313.27368	100.0
357.13638	2.6
439.30475	6.2
457.31323	25.6
475.32574	3.7
498.26682	3.1
608.72021	2.7
637.38257	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76572	3.0
63.92752	2.9
66.91547	2.8
67.76665	3.4
81.07047	3.9
95.08624	5.3
108.07079	3.4
125.30686	3.2
198.14998	3.8
637.39197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05602	0.3
54.46710	0.3
118.04954	0.5
124.35477	0.3
152.57837	0.3
173.29364	0.3
290.08023	0.4
292.09644	3.4
318.07910	0.6
319.08441	0.7
320.09167	100.0
321.09927	0.6
334.10782	1.8
335.11264	0.4
336.12180	1.9
638.21332	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81232	0.2
64.15394	0.2
76.53244	0.2
114.10839	0.3
120.08051	0.2
122.73701	0.2
203.65338	0.3
292.09641	3.1
307.60727	0.2
318.07629	0.4
319.08270	0.3
320.09158	100.0
334.10950	0.4
336.12311	1.1
352.08972	0.3
638.21350	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74052	1.0
56.11773	0.9
66.81276	1.0
69.03455	1.6
92.21521	1.9
123.96378	1.1
175.31912	1.0
198.51480	1.2
233.01550	1.2
319.08527	1.7
320.09052	2.6
322.10965	4.6
323.11429	15.8
334.10632	11.7
335.11618	2.5
336.12259	15.6
338.13995	4.5
350.13882	2.5
351.14618	49.4
351.18729	1.6
377.12003	1.2
392.15012	5.2
414.32666	1.4
414.38458	1.3
436.14215	1.4
446.16122	5.9
460.17914	1.5
462.15424	2.5
464.17581	1.4
486.15677	5.7
488.17087	12.8
489.17749	4.1
501.17807	13.6
516.16913	2.3
528.16766	2.1
529.17517	4.6
574.22711	2.2
577.20947	2.5
592.23206	21.8
602.22076	13.5
620.22827	33.6
638.23926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83844	0.5
57.07090	0.6
65.78284	0.5
67.05483	0.5
72.38838	0.5
91.05489	4.7
95.90391	0.6
105.07063	1.2
141.91827	0.5
151.44656	0.6
167.07028	25.7
174.05502	15.6
186.05486	6.4
187.06308	5.4
223.11322	1.1
251.10724	3.9
276.10089	0.7
278.08081	0.9
281.11740	10.6
290.08035	4.8
291.08823	1.0
292.09811	1.0
293.10486	2.5
296.09143	0.7
299.12830	5.3
306.07602	30.8
307.08527	3.9
308.09097	9.6
309.06451	1.2
310.07120	3.1
310.10883	2.7
320.09161	5.0
321.09940	8.0
322.07309	1.4
322.10709	10.1
324.08615	18.5
325.09470	8.5
337.09464	1.1
338.10153	5.4
339.11047	13.3
340.07761	1.0
340.11819	28.7
352.11746	7.5
484.17575	2.2
540.56488	0.7
557.90930	0.7
638.23846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
70.06548	0.9
75.59897	0.5
79.05457	0.6
79.27457	0.4
81.03386	1.0
84.04479	0.7
85.02873	1.8
86.06049	2.4
87.04472	6.2
89.03914	1.7
91.05461	1.8
96.04486	0.5
96.08118	0.4
97.02886	0.6
98.06046	4.9
99.04432	0.7
104.07072	0.7
106.06543	2.3
108.04465	1.1
109.02840	2.4
109.03500	0.5
116.07089	4.8
117.03388	5.7
119.04910	2.9
124.07570	0.8
125.04717	1.1
126.05490	1.7
133.02846	0.6
134.06021	3.7
137.05974	3.3
140.07014	0.7
142.08571	0.6
145.02841	58.9
147.04399	3.7
148.07578	3.2
149.05983	3.0
151.07536	1.9
158.08110	0.6
162.06712	0.6
166.08577	3.2
175.03864	3.1
176.07040	11.5
177.05458	100.0
179.07004	1.0
194.08119	9.8
201.05493	2.0
211.08469	1.8
212.09137	4.1
229.09459	0.6
230.10211	1.8
233.03444	0.4
279.39474	0.4
325.10522	0.6
337.10614	1.0
355.11728	0.8
373.12790	2.6
404.13550	0.7
405.14255	2.9
413.16760	0.7
423.15161	2.0
441.16196	3.1
554.20026	2.0
584.21478	2.6
602.22247	9.7
620.23242	11.8
638.24500	30.9
656.61182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58485	0.5
54.56446	0.5
81.03405	0.8
98.54181	0.6
99.04449	1.1
103.52677	0.5
115.84438	0.6
126.15282	0.5
127.03934	0.7
128.60583	0.6
129.57689	0.5
147.04434	0.9
149.05975	0.8
162.05510	0.9
164.07089	1.1
167.07005	15.2
177.05414	4.4
178.05817	2.4
181.05043	1.0
182.08200	0.9
207.06406	0.8
207.08162	3.1
222.07791	0.8
225.09225	0.6
235.07487	14.2
238.06166	0.7
247.07602	0.6
249.05690	0.8
251.07204	2.2
252.07861	1.0
253.08635	5.5
262.06265	4.7
262.08688	0.7
263.06992	18.6
263.09531	1.1
267.10214	1.0
277.05066	0.8
279.06491	1.5
280.07239	3.8
280.09976	5.2
281.08084	14.7
290.05853	2.9
291.06668	3.2
294.05038	1.2
294.07922	1.4
295.09695	4.2
298.08359	3.2
307.08597	2.9
308.06464	11.2
308.09836	1.9
309.07416	12.5
310.08148	1.4
313.10675	10.9
316.61096	0.7
323.09109	34.1
325.09314	4.7
326.07776	9.2
330.13290	4.6
337.47958	0.7
339.11026	0.8
340.11795	10.5
341.10193	29.7
358.12799	23.9
520.18018	4.8
638.24438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67908	0.5
55.01866	0.9
62.43821	0.5
69.03434	0.9
70.06586	1.0
79.76659	0.6
81.03418	3.1
84.04510	1.0
84.68607	0.7
85.02901	3.4
86.06081	3.5
87.04455	6.3
89.03931	1.0
90.07391	0.7
91.05483	1.6
92.37467	0.6
94.20303	0.7
96.04482	0.9
97.02884	1.3
98.06046	7.6
99.04463	1.4
104.07100	0.7
106.06570	2.7
107.04987	1.0
108.04494	0.7
109.02910	1.1
112.64188	0.6
116.07135	4.8
117.03365	7.5
119.04962	3.6
121.06519	0.8
123.04469	0.8
124.07642	1.4
125.04765	1.1
126.05521	2.9
133.06566	1.0
134.05124	0.8
134.05931	5.4
137.05984	2.8
140.07094	1.1
142.08696	0.9
145.02846	54.2
147.04384	4.8
147.75113	0.7
148.07576	3.2
149.06017	3.4
151.07547	1.0
161.06107	1.0
163.04012	0.9
164.07150	1.0
166.08688	3.2
167.06999	5.3
175.03952	4.0
176.07056	14.8
177.05458	100.0
179.07047	1.4
182.08087	0.7
194.08104	10.4
201.05573	0.8
207.06534	2.7
207.08160	1.0
211.08499	1.3
212.09163	3.7
235.07477	5.4
251.07039	0.8
253.08539	1.1
262.06299	3.3
262.08813	0.8
263.07016	8.0
266.05530	0.7
280.07162	1.3
280.09875	1.1
281.08151	5.8
290.05750	1.5
295.09656	1.0
307.08389	0.8
308.06812	4.2
309.07571	3.8
310.07730	0.7
313.10748	3.6
323.09018	10.3
325.09842	1.0
326.07980	3.1
330.13446	1.5
340.11884	3.1
341.10181	12.6
346.15030	0.7
355.11914	1.1
358.12854	10.0
373.12961	3.7
387.13190	0.9
405.14212	2.7
406.15521	0.9
423.15103	1.4
441.16232	2.8
520.18146	2.7
554.20032	1.2
584.21008	4.0
602.22394	13.9
620.23346	12.7
638.24390	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70700	0.5
53.64320	0.5
55.01884	0.8
63.79744	0.5
67.95158	0.5
69.03410	0.6
70.06605	1.3
75.05604	0.6
76.99658	0.5
81.03408	1.4
84.04510	0.7
85.02901	1.1
86.06068	1.1
87.04465	6.3
89.03923	0.9
90.52528	0.5
91.05471	0.9
97.02917	0.9
98.06055	7.5
99.04489	0.8
109.02894	1.4
116.07090	6.5
117.03360	6.8
119.04960	2.7
120.08199	0.7
124.07571	0.7
125.04736	0.7
126.05512	0.9
130.25784	0.6
134.06017	4.1
137.05969	2.6
140.07045	1.0
142.04208	0.6
145.02846	59.9
147.04445	3.5
148.07591	2.9
149.06027	4.1
151.07574	1.2
161.05972	1.2
166.08658	2.6
175.03944	3.8
176.07065	15.2
177.05461	100.0
179.07095	2.9
190.90099	0.7
194.08113	9.1
198.07603	0.8
201.05420	1.3
211.08485	1.2
212.09187	4.7
232.01299	0.7
263.07120	0.7
305.07993	0.8
323.09122	2.3
341.10294	1.1
355.11905	2.4
358.13092	1.4
373.12881	3.6
405.14313	4.1
406.15100	0.7
423.15369	1.2
441.16287	3.9
554.20868	0.9
584.21313	4.1
602.22125	13.7
620.23346	14.1
638.24420	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09887	0.7
54.47702	0.6
55.01888	0.9
59.48105	0.7
70.06587	1.7
81.03435	1.9
85.02916	1.2
86.06068	1.5
87.04485	5.3
91.05473	1.4
97.02898	1.2
98.06070	5.0
98.86485	1.0
99.04499	1.2
99.60861	0.7
108.04479	1.0
109.02865	1.9
116.07059	6.8
117.03397	5.9
119.04919	2.4
121.06538	1.3
125.04753	1.0
126.05540	1.4
127.03855	0.9
134.06015	3.7
137.06001	1.9
140.07045	0.8
145.02852	51.9
147.04416	1.7
148.07639	1.5
149.06020	3.0
162.06787	1.2
166.08617	1.9
168.73083	0.9
175.03911	2.0
176.07047	12.9
177.05461	100.0
177.82753	0.8
179.07091	1.3
194.08043	8.9
200.83214	0.9
201.05499	2.0
207.06604	1.0
211.08453	1.3
212.09200	3.2
305.08121	1.4
355.12030	1.0
373.12775	1.3
405.14429	1.2
423.15634	1.3
441.16461	3.6
479.70541	0.9
573.18604	0.9
579.37738	0.9
584.21228	5.0
602.22162	8.8
620.23181	14.7
627.01685	1.0
638.24481	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75936	0.3
55.01862	0.7
56.05015	0.3
56.08628	0.3
66.54998	0.3
69.03397	1.5
70.06602	2.3
79.05492	0.4
81.03413	2.6
84.04485	0.6
85.02879	2.0
86.06025	2.0
87.04468	7.5
88.28619	0.3
89.03891	1.7
91.05443	1.6
93.07031	0.4
96.04488	0.7
97.02871	0.6
97.19156	0.3
98.05490	0.3
98.06055	5.9
99.04435	0.6
104.07104	0.8
106.06519	2.1
107.04910	0.5
108.04438	0.5
109.02899	2.2
110.06011	0.6
111.04402	0.6
114.05525	0.3
116.07082	6.2
117.03371	6.8
119.04922	3.8
124.07561	1.3
125.04705	1.9
126.05493	1.8
128.07159	0.4
131.04900	0.3
133.02823	0.7
134.06004	5.3
135.04382	0.3
137.05959	3.3
138.05469	0.3
138.09146	0.6
140.07065	1.4
142.08632	0.4
145.02847	58.4
147.04385	2.9
148.07555	2.3
149.05983	4.1
151.07523	1.8
158.08124	0.4
161.05957	0.5
162.06706	0.5
163.04004	0.4
165.05350	0.4
166.08650	2.5
175.03943	2.5
176.07063	15.6
177.05458	100.0
179.06973	2.2
182.08081	0.4
192.06673	0.4
194.08113	11.2
198.07576	0.7
201.05479	2.1
211.08395	2.2
212.09114	4.9
219.11017	0.4
229.09232	0.5
230.10240	1.4
272.18994	0.3
283.39502	0.3
305.08139	1.4
325.10925	0.7
337.10825	0.7
355.11771	1.5
358.12775	0.4
373.12854	3.0
387.13339	0.7
389.13065	0.3
404.13461	0.7
405.14200	3.1
413.16977	0.6
423.15353	1.8
441.16257	3.1
442.17136	0.4
554.20612	1.3
566.20404	0.4
584.21283	4.4
602.22186	14.0
620.23303	14.4
638.24530	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94138	0.5
55.01896	1.3
66.27834	0.6
70.06599	3.0
79.90257	0.6
81.03427	0.9
84.04519	0.7
85.02890	1.3
86.06062	2.7
87.04472	4.8
89.03907	1.4
91.05496	0.7
96.62556	0.7
97.02855	0.6
98.06042	5.2
99.04485	0.9
106.06582	1.5
109.02913	1.6
110.05992	0.9
116.07102	5.7
117.03355	8.2
119.04961	1.5
124.07599	0.8
125.04747	1.2
126.05509	0.6
133.02922	0.9
134.06000	5.4
137.05954	1.5
140.07159	1.0
145.02846	56.0
147.04439	3.1
148.07613	2.9
149.06001	2.7
151.07582	2.5
158.08127	1.1
166.08650	3.0
175.03943	3.4
176.07057	15.0
177.05460	100.0
179.07088	1.5
190.40906	0.7
194.05905	0.9
194.06456	1.1
194.08171	9.1
194.09645	0.7
201.05476	1.3
211.08427	1.3
212.09167	4.9
218.97813	0.7
230.10248	1.2
373.12927	3.9
405.14011	1.2
423.15469	1.4
441.16260	3.4
554.20087	0.9
584.21399	3.8
602.22278	10.9
620.23303	15.3
638.13782	1.3
638.24402	41.9
639.54059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06608	0.5
53.03957	3.7
55.01883	17.8
57.03429	0.9
62.31077	0.5
69.03443	4.5
69.95825	0.6
71.04991	2.8
73.02525	0.7
73.02923	18.0
78.91891	0.6
81.03443	10.4
85.02913	30.2
87.04449	0.9
87.09875	0.7
97.02879	8.3
99.04462	100.0
100.04744	0.8
101.06046	4.7
109.02892	3.3
117.05503	10.5
119.04962	2.5
127.03928	11.6
137.84604	0.7
141.05467	3.9
145.04984	3.3
147.04430	32.2
165.05487	1.4
171.06551	1.2
173.05975	1.4
191.06995	8.1
207.06479	0.9
223.79167	0.6
225.07597	8.0
243.08611	27.7
245.08089	6.4
245.10239	2.9
263.09067	6.0
293.04092	0.8
310.61755	0.6
320.09180	0.9
321.10004	1.1
334.10828	1.0
336.08533	0.6
336.12222	4.7
353.10181	0.7
359.13263	7.9
361.12610	2.5
469.14877	1.5
487.15952	19.5
504.51080	0.7
505.16882	5.3
638.23773	3.5
639.78680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56378	0.7
55.01891	1.2
70.06590	1.4
81.03398	1.7
85.02888	1.6
86.06084	1.6
87.04472	5.1
87.91423	0.8
89.03929	1.0
91.05500	1.1
98.06019	5.8
106.06554	0.9
109.02885	1.5
109.38744	0.8
116.07094	4.9
117.03365	6.9
119.04970	3.6
125.04749	0.9
126.05576	1.0
134.06050	5.1
137.05995	1.8
138.05482	0.9
140.07141	0.8
142.56197	0.7
145.02838	46.8
147.04411	1.3
148.07581	3.1
149.05989	3.7
151.07576	0.9
156.53464	0.7
158.08145	0.8
161.96475	0.7
163.04012	1.0
163.94574	0.8
166.08649	3.0
175.03960	3.1
176.07054	11.6
176.71497	0.8
177.05450	100.0
177.90714	0.8
179.06979	1.5
194.08153	10.0
201.05563	1.7
212.09180	3.3
219.11163	1.0
230.10211	1.1
256.13611	0.8
312.97070	0.9
323.08942	1.0
337.10849	1.2
348.65146	0.9
405.14301	3.9
423.15186	1.2
425.98807	0.9
441.16296	4.7
481.21591	0.8
554.20062	1.2
584.21155	4.7
602.22339	15.7
620.23267	16.5
627.54883	0.8
638.24457	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75936	0.3
55.01862	0.7
56.05015	0.3
56.08628	0.3
66.54998	0.3
69.03397	1.5
70.06602	2.3
79.05492	0.4
81.03413	2.6
84.04485	0.6
85.02879	2.0
86.06025	2.0
87.04468	7.5
88.28619	0.3
89.03891	1.7
91.05443	1.6
93.07031	0.4
96.04488	0.7
97.02871	0.6
97.19156	0.3
98.05490	0.3
98.06055	5.9
99.04435	0.6
104.07104	0.8
106.06519	2.1
107.04910	0.5
108.04438	0.5
109.02899	2.2
110.06011	0.6
111.04402	0.6
114.05525	0.3
116.07082	6.2
117.03371	6.8
119.04922	3.8
124.07561	1.3
125.04705	1.9
126.05493	1.8
128.07159	0.4
131.04900	0.3
133.02823	0.7
134.06004	5.3
135.04382	0.3
137.05959	3.3
138.05469	0.3
138.09146	0.6
140.07065	1.4
142.08632	0.4
145.02847	58.4
147.04385	2.9
148.07555	2.3
149.05983	4.1
151.07523	1.8
158.08124	0.4
161.05957	0.5
162.06706	0.5
163.04004	0.4
165.05350	0.4
166.08650	2.5
175.03943	2.5
176.07063	15.6
177.05458	100.0
179.06973	2.2
182.08081	0.4
192.06673	0.4
194.08113	11.2
198.07576	0.7
201.05479	2.1
211.08395	2.2
212.09114	4.9
219.11017	0.4
229.09232	0.5
230.10240	1.4
272.18994	0.3
283.39502	0.3
305.08139	1.4
325.10925	0.7
337.10825	0.7
355.11771	1.5
358.12775	0.4
373.12854	3.0
387.13339	0.7
389.13065	0.3
404.13461	0.7
405.14200	3.1
413.16977	0.6
423.15353	1.8
441.16257	3.1
442.17136	0.4
554.20612	1.3
566.20404	0.4
584.21283	4.4
602.22186	14.0
620.23303	14.4
638.24530	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04375	0.8
71.50388	0.8
73.60851	0.6
81.07064	1.5
93.07049	0.8
101.08060	0.7
109.10134	0.8
120.08109	1.7
138.24953	0.8
161.49326	0.8
189.29724	0.7
251.11826	0.9
265.09631	0.9
267.11319	1.0
321.09839	1.5
336.12277	8.0
433.16611	4.9
434.17337	1.0
435.18134	1.7
447.18173	1.0
473.19406	1.4
475.21997	7.0
484.98676	0.8
490.20288	1.0
491.21039	1.4
505.22412	1.3
507.20129	7.4
535.23425	7.3
551.22412	1.1
563.22955	4.3
566.21490	5.4
567.22461	7.7
606.24310	1.1
623.24969	5.4
638.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34511	3.8
72.95042	3.7
77.55904	4.4
81.04611	4.1
118.06702	4.2
127.68005	4.1
164.71947	4.4
165.81294	4.5
205.26103	4.9
250.18423	4.2
427.38992	4.4
449.19315	6.3
491.20444	6.7
492.21576	7.4
501.23517	5.5
519.23730	7.1
551.25494	4.7
561.24768	5.5
579.25702	5.4
620.25641	7.6
638.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56959	0.4
52.46150	0.4
53.03963	5.9
56.84998	0.5
61.02916	0.5
69.03441	3.9
71.04988	0.7
73.02914	1.0
81.03432	9.8
84.99619	0.5
85.02915	8.4
91.05461	0.5
97.02880	5.1
99.04461	100.0
103.05501	0.6
109.02878	2.1
114.26099	0.5
115.03976	0.6
117.05489	8.0
119.04974	0.6
121.06521	0.8
127.03915	3.1
131.04924	2.2
137.05972	13.0
149.05980	3.6
151.03932	2.0
151.07544	18.0
154.73582	0.5
157.06474	2.2
161.05998	4.9
163.07536	8.0
166.97313	0.5
167.06996	1.3
171.84715	0.5
175.07564	3.1
177.09100	8.6
189.09132	6.1
207.10019	0.7
221.06221	0.6
221.09644	0.8
221.11784	1.0
223.07475	1.0
224.54021	0.5
227.10674	4.7
249.09044	0.8
253.08624	2.2
253.12254	3.5
255.10146	7.2
261.09479	4.4
265.08578	1.0
267.10214	0.8
281.11664	1.8
285.11191	5.3
287.12808	7.4
297.11124	2.1
311.12805	3.2
313.14310	3.5
319.08221	1.2
320.09164	18.9
323.12582	0.8
331.15390	49.7
334.10760	2.7
341.14133	0.7
343.15402	12.9
355.15308	2.0
379.15408	0.8
397.16333	2.2
409.16693	0.8
421.16531	4.0
439.17462	1.9
457.18674	2.7
475.19540	0.8
555.22180	5.2
573.23236	4.7
591.24463	0.9
638.17065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67265	0.4
51.71222	0.4
52.67018	0.4
53.40659	0.4
58.06559	0.7
67.06890	0.4
67.37579	0.4
69.03383	0.5
87.37908	0.4
92.20879	0.5
100.36811	0.4
103.05997	0.4
110.65366	0.4
119.88852	0.5
265.08347	0.5
269.75165	0.5
285.07574	4.2
286.07919	6.4
287.08136	4.2
288.08322	3.0
292.09613	8.0
305.18707	0.5
306.07681	3.2
319.08325	2.0
320.09186	11.8
321.09943	31.2
322.10376	1.5
324.12329	0.9
334.10699	3.8
336.12277	100.0
337.12820	2.6
338.13565	1.0
353.08954	0.5
358.49667	0.5
370.98819	0.5
503.61914	0.4
638.21594	2.6
638.29694	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56211	0.7
55.20062	0.7
72.21377	0.8
174.93071	0.8
178.34669	0.8
239.52890	0.8
292.09625	12.4
306.07703	3.3
319.08405	1.6
320.09183	76.8
321.06180	1.1
321.09946	30.5
322.10858	0.9
334.10855	3.9
336.12296	100.0
383.22345	0.8
403.41684	0.9
538.80133	1.0
638.29700	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75385	0.9
84.60848	0.7
92.20995	1.0
92.24845	0.8
97.15118	0.8
105.96238	0.8
112.38230	0.9
127.42701	0.8
278.08221	1.0
292.09653	9.4
306.07568	1.4
319.08569	1.5
320.09186	100.0
321.09918	29.4
321.13443	1.3
322.10632	1.1
334.10803	3.5
336.12302	87.8
352.15146	1.1
638.20953	4.7
638.29773	57.0
652.84540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67265	0.4
51.71222	0.4
52.67018	0.4
53.40659	0.4
58.06559	0.7
67.06890	0.4
67.37579	0.4
69.03383	0.5
87.37908	0.4
92.20879	0.5
100.36811	0.4
103.05997	0.4
110.65366	0.4
119.88852	0.5
265.08347	0.5
269.75165	0.5
285.07574	4.2
286.07919	6.4
287.08136	4.2
288.08322	3.0
292.09613	8.0
305.18707	0.5
306.07681	3.2
319.08325	2.0
320.09186	11.8
321.09943	31.2
322.10376	1.5
324.12329	0.9
334.10699	3.8
336.12277	100.0
337.12820	2.6
338.13565	1.0
353.08954	0.5
358.49667	0.5
370.98819	0.5
503.61914	0.4
638.21594	2.6
638.29694	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80901	1.3
53.03948	1.6
55.05501	1.2
57.03417	1.8
58.06581	2.7
66.48734	1.4
69.03416	8.5
69.41189	1.6
73.02900	1.8
78.48174	1.5
81.03416	3.7
81.07048	6.7
81.75558	1.4
85.02900	23.3
87.00818	8.5
89.68865	1.6
95.08634	2.9
97.02890	3.5
99.04431	2.9
104.20062	1.5
105.01857	2.4
107.89058	1.5
108.97122	1.6
109.02869	10.2
109.10148	1.6
121.06461	2.6
122.29308	1.5
127.03889	11.6
145.04971	2.1
149.05939	3.6
159.02888	2.4
169.23178	1.5
175.03920	6.4
187.11108	2.1
189.09119	9.1
193.05002	26.2
203.10579	3.2
215.07001	1.7
217.08681	2.0
229.08650	2.4
231.10175	8.4
243.13818	12.1
249.11194	100.0
257.11734	1.7
257.15289	1.9
265.08548	2.1
269.11499	1.7
271.13272	15.4
271.16901	6.5
285.14911	1.9
289.14413	14.8
297.11038	1.7
299.16547	3.3
317.17523	9.0
320.09149	8.3
327.23102	2.5
334.10751	10.8
355.22534	6.0
373.23752	2.9
379.80957	1.7
423.25391	2.2
441.25772	1.8
505.63651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02622	2.8
55.01885	13.3
55.05518	3.2
56.05038	4.2
57.03454	3.5
58.06606	22.8
66.62834	2.8
66.92289	3.0
67.05518	31.2
67.65516	2.9
69.07089	4.7
79.05508	26.8
80.05051	5.3
81.03439	4.2
81.07067	30.5
81.70253	3.2
83.08637	5.3
86.06086	13.0
91.05468	14.9
92.04987	6.2
93.07040	27.8
95.04969	13.6
95.08604	31.5
96.04468	4.4
98.06026	4.1
105.07039	8.4
106.06550	7.2
107.08606	18.6
109.10156	13.5
112.03969	3.5
119.08575	6.8
121.10120	15.9
122.06046	70.9
124.07646	13.2
128.07100	3.2
133.10167	4.6
135.11714	6.9
137.09650	4.5
140.07086	39.5
144.49458	3.4
149.26410	4.2
152.07086	15.6
170.08113	16.8
188.09193	92.8
206.10265	6.6
219.72403	3.8
220.03700	19.4
237.08986	3.9
265.08594	20.1
297.11279	14.2
320.09067	15.9
334.10709	25.0
335.25818	51.9
336.12268	21.8
378.50818	3.3
476.27676	4.7
536.27515	21.9
554.28760	100.0
584.29810	17.4
602.31085	33.9
620.31824	34.5
638.32666	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05519	2.4
57.03442	2.7
57.07082	4.8
58.06603	7.6
58.06864	1.1
61.02929	5.7
67.05513	13.6
69.03426	8.7
69.07060	5.9
71.04977	1.4
71.08644	1.9
77.71608	1.0
79.05499	7.6
81.03440	13.7
81.03867	1.6
81.07063	18.4
83.04987	2.1
83.08608	4.7
85.02917	12.2
85.10165	1.4
91.03963	2.2
91.05479	5.6
93.07056	14.8
95.08610	14.8
97.02905	15.9
97.10107	1.2
99.04449	2.2
99.84754	1.2
105.07066	9.6
107.04939	1.3
107.08576	8.7
109.02875	7.5
109.10140	8.2
116.74951	1.1
117.07020	3.1
119.08565	7.3
121.06467	1.2
121.10166	8.5
125.09603	2.2
127.03944	2.6
131.08568	5.8
133.10146	5.7
135.11693	7.7
145.10110	5.4
147.11678	2.7
157.10068	1.4
159.11694	3.0
161.13240	2.8
163.07343	1.2
171.11717	2.1
173.13208	2.4
173.57109	1.3
187.14836	1.7
203.14337	1.5
261.22110	2.0
274.79776	1.2
291.23196	1.4
292.09576	2.2
297.11255	1.6
313.27362	5.0
314.27570	6.4
320.09183	100.0
334.10724	1.6
351.23221	1.4
369.24225	6.5
387.25238	8.9
405.26141	11.7
423.27271	7.6
440.30341	2.3
503.33963	1.3
604.28461	1.4
638.30554	29.7
638.39496	7.8
640.23987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63312	2.2
55.01873	2.5
55.05520	6.1
67.05501	21.7
69.07069	9.6
70.06586	3.6
71.51131	2.5
72.08138	24.4
79.05514	18.7
81.03415	21.1
81.07057	30.9
82.06590	10.3
83.04972	12.8
83.08637	4.6
84.08150	13.1
89.39307	2.4
91.05479	10.7
92.52371	2.4
93.07052	23.8
95.04945	4.6
95.08603	28.0
97.02876	3.5
97.06496	2.4
97.10163	5.0
99.04446	15.8
105.07011	14.4
107.08587	19.2
108.04495	10.8
109.06523	4.0
109.10173	13.0
110.06013	2.5
114.09209	2.7
115.71328	3.1
117.07013	3.5
117.30955	2.2
118.08674	2.8
119.08561	16.8
120.04459	57.5
121.10105	17.8
123.08025	3.8
125.04723	39.3
126.09207	4.6
127.03951	2.7
131.08551	4.1
133.10138	14.8
135.08018	3.2
135.11707	9.9
135.93661	2.5
138.05501	4.8
145.10123	5.0
148.03961	3.1
149.09593	3.4
149.13229	3.9
151.11247	2.6
152.10703	3.9
157.10139	4.3
159.11633	3.5
162.09113	14.4
164.10741	17.9
166.04964	3.1
173.13159	2.8
180.10193	48.0
198.11211	25.1
201.33969	2.8
208.09720	20.9
216.12428	4.5
226.10672	16.0
244.11743	4.4
275.19998	28.9
291.19458	5.6
293.21002	10.8
314.15848	4.9
336.12231	10.5
592.38159	5.1
602.36847	100.0
620.37750	75.4
638.24438	4.8
638.38757	19.0
638.54016	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07307	14.1
64.49556	15.6
67.05517	19.8
81.07085	21.1
95.08627	24.1
121.65205	18.7
137.05974	97.5
139.75665	17.1
145.36139	16.6
151.07477	31.5
219.80307	16.8
318.21603	20.6
341.67480	21.8
362.45047	18.0
369.23221	17.7
591.36426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59776	0.1
170.12112	0.2
187.57248	0.1
205.69595	0.2
215.50381	0.2
240.65239	0.2
256.61856	0.2
278.08121	2.7
278.36459	0.2
290.07913	0.3
292.09622	2.4
306.07568	1.7
318.07684	1.6
320.09167	100.0
340.84860	0.2
377.30664	0.2
397.14264	0.2
428.87332	0.2
443.54337	0.2
463.12689	0.2
580.70374	0.2
639.17511	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85206	0.1
145.61765	0.1
278.08231	1.2
291.08786	0.2
292.09708	2.4
306.07602	0.9
318.07697	1.3
320.09164	100.0
361.86816	0.1
569.69958	0.1
576.08899	0.2
639.17450	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40349	0.4
99.67167	0.5
118.53831	0.5
127.21883	0.4
132.45140	0.5
141.51173	0.5
153.36876	0.6
167.07170	0.5
168.83171	0.5
205.14279	0.6
235.65681	0.5
307.08252	0.9
319.08368	0.9
320.09171	8.1
321.09491	7.4
322.10733	2.2
334.10757	2.6
335.11322	1.1
336.12021	2.5
337.12485	0.6
339.12234	0.7
340.88040	0.5
401.63544	0.5
422.10300	0.7
423.10886	0.9
424.11780	8.0
436.67828	0.5
439.80582	0.6
451.10657	0.8
452.11295	10.7
581.13446	14.4
595.15015	17.0
607.14984	15.1
609.12933	58.1
621.13867	0.6
623.14478	14.1
624.15240	4.5
639.17480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40349	0.4
99.67167	0.5
118.53831	0.5
127.21883	0.4
132.45140	0.5
141.51173	0.5
153.36876	0.6
167.07170	0.5
168.83171	0.5
205.14279	0.6
235.65681	0.5
307.08252	0.9
319.08368	0.9
320.09171	8.1
321.09491	7.4
322.10733	2.2
334.10757	2.6
335.11322	1.1
336.12021	2.5
337.12485	0.6
339.12234	0.7
340.88040	0.5
401.63544	0.5
422.10300	0.7
423.10886	0.9
424.11780	8.0
436.67828	0.5
439.80582	0.6
451.10657	0.8
452.11295	10.7
581.13446	14.4
595.15015	17.0
607.14984	15.1
609.12933	58.1
621.13867	0.6
623.14478	14.1
624.15240	4.5
639.17480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40349	0.4
99.67167	0.5
118.53831	0.5
127.21883	0.4
132.45140	0.5
141.51173	0.5
153.36876	0.6
167.07170	0.5
168.83171	0.5
205.14279	0.6
235.65681	0.5
307.08252	0.9
319.08368	0.9
320.09171	8.1
321.09491	7.4
322.10733	2.2
334.10757	2.6
335.11322	1.1
336.12021	2.5
337.12485	0.6
339.12234	0.7
340.88040	0.5
401.63544	0.5
422.10300	0.7
423.10886	0.9
424.11780	8.0
436.67828	0.5
439.80582	0.6
451.10657	0.8
452.11295	10.7
581.13446	14.4
595.15015	17.0
607.14984	15.1
609.12933	58.1
621.13867	0.6
623.14478	14.1
624.15240	4.5
639.17480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95510	0.4
59.49722	0.5
80.74113	0.5
137.59132	0.6
214.18439	0.6
307.08505	0.7
319.08487	3.1
320.09109	3.2
321.09525	1.3
334.10779	3.2
399.72430	0.6
423.10919	1.3
424.11716	8.5
451.10233	0.8
452.11349	10.8
544.48059	0.6
567.15558	1.3
579.15070	1.1
581.13495	14.3
593.13287	0.6
595.14917	15.5
607.15021	13.9
609.12885	60.3
623.14417	11.7
624.15216	3.5
639.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51662	0.5
58.06600	0.9
62.05857	0.6
62.32965	0.6
65.60898	0.5
68.05038	0.8
70.30982	0.5
76.22723	0.5
80.05032	1.0
84.04505	0.6
110.06065	2.6
128.18469	0.5
137.05945	0.9
151.07571	10.2
152.07076	0.6
155.86598	0.5
169.03134	0.8
170.08086	1.3
178.08640	0.9
180.10132	6.2
180.11491	0.5
181.03239	1.3
183.04749	1.5
188.07140	2.5
190.08618	16.5
191.09438	3.9
191.57745	0.6
192.10219	4.5
193.03174	4.6
193.37308	0.7
206.08026	0.6
208.09677	9.8
209.02765	4.0
222.05956	0.9
264.05423	0.6
266.88586	0.6
268.06381	1.1
283.07990	4.4
293.08047	0.8
297.05951	0.7
303.06915	0.6
308.10352	5.5
309.05801	7.3
310.12030	1.0
311.07297	8.0
317.08472	1.2
323.07425	1.2
326.11609	2.8
328.07776	2.4
329.08322	1.3
338.13745	4.8
339.07086	6.2
339.11172	0.7
339.14420	5.4
341.08356	2.5
343.09982	5.7
359.09195	0.7
372.12534	4.3
388.12152	3.3
390.13669	50.6
432.14764	2.5
477.16605	4.9
612.71545	0.7
621.21393	1.0
631.66882	0.7
639.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76041	0.9
65.83259	1.2
69.80334	0.9
76.34146	1.0
79.05513	1.1
85.45572	1.0
91.05439	1.1
95.08608	1.7
165.46959	1.0
179.64703	1.0
242.62953	1.1
249.74065	1.2
315.90158	1.2
370.12418	1.2
413.80313	1.2
437.19778	1.9
487.21759	4.5
488.22012	1.4
489.19128	1.9
502.20267	2.3
505.18668	1.6
505.22153	1.4
506.19958	6.5
507.20621	5.7
508.23935	1.2
515.20837	18.2
516.18256	2.4
517.22394	2.3
519.20203	5.8
527.20490	1.7
529.18750	1.6
533.21857	9.9
534.21680	2.0
543.20239	2.2
545.22058	10.2
551.22662	4.9
561.21356	26.1
579.23627	1.5
580.23163	1.8
585.64252	1.5
589.20612	4.7
621.23572	24.8
639.24628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30508	1.1
53.26559	1.0
53.92369	0.9
56.63843	1.0
60.17051	1.0
61.77920	1.0
68.58018	1.1
69.73470	1.2
89.64314	1.1
92.21581	1.2
106.11149	1.2
130.10576	1.5
132.01941	1.2
167.76968	1.3
230.44856	1.3
236.13045	2.0
236.75021	1.6
264.14984	4.7
276.15060	5.9
277.15887	2.3
320.08856	1.5
330.15686	1.6
336.12149	2.4
342.15903	1.4
342.73859	1.3
370.11932	1.7
395.18918	1.8
423.18201	5.6
425.19952	2.1
440.15851	1.4
446.72733	1.5
447.14502	1.2
449.19888	5.5
452.21481	1.8
463.21075	1.4
475.21301	6.2
477.18942	14.2
479.20862	5.6
483.20493	2.2
489.22260	2.0
491.20724	2.4
495.23770	2.2
509.22235	1.9
519.20386	2.7
523.23285	5.5
534.21887	2.4
537.21527	6.4
552.23383	1.8
561.21759	1.8
565.21252	1.6
579.22253	5.2
589.23065	2.8
593.24237	2.2
597.23413	7.1
611.24567	5.2
621.23438	48.0
633.39447	1.6
639.24518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	13.9
66.69489	2.0
67.05492	2.3
68.58979	1.7
79.05507	2.2
81.07058	4.5
82.65393	1.9
93.07066	3.6
99.04482	3.6
105.07053	4.4
107.08596	2.5
109.10152	2.6
119.08629	3.0
121.10152	2.2
159.11765	2.1
238.30746	2.0
265.08661	9.5
266.09164	3.6
297.11395	4.3
298.11682	4.7
379.32642	2.4
505.19431	2.9
506.19864	2.7
515.21051	10.3
519.20673	2.7
529.18768	2.8
533.22083	16.3
545.21869	4.3
561.21027	18.3
589.20947	3.9
621.23157	8.1
639.24512	100.0
639.41028	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65909	0.6
55.35268	0.6
59.78849	0.7
63.09978	0.7
67.05514	1.4
67.44351	0.6
69.83533	0.7
69.87088	0.7
79.05495	1.8
81.07074	3.4
83.08600	1.3
91.05473	1.6
93.07052	1.8
95.08606	0.8
95.28511	0.7
96.18150	0.7
105.07010	0.9
107.08626	0.9
121.10123	1.0
171.31184	0.9
275.20068	0.9
324.06113	0.9
391.19318	1.0
404.20218	1.3
406.21613	1.6
419.18436	3.1
433.20233	3.1
434.20926	4.5
447.17947	6.8
451.21622	1.1
460.18433	1.6
461.19705	3.6
462.20615	4.3
463.17496	1.5
478.23813	1.4
487.21732	1.3
488.18213	1.2
489.23514	1.2
497.20392	1.3
502.19766	0.9
517.22156	1.8
529.18884	1.8
533.21930	1.3
534.22650	8.3
543.20264	1.0
545.21710	1.6
561.21136	5.4
562.22156	3.5
565.24402	1.7
579.22278	7.3
589.20782	1.4
621.23071	3.0
639.24445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84724	3.9
54.02910	3.9
58.96504	4.7
67.27622	4.2
67.38568	4.0
68.04457	4.8
81.07066	8.0
82.20214	4.8
95.88783	5.1
97.24371	5.0
119.83144	5.6
214.02641	5.9
219.26993	5.4
315.62454	5.6
390.55206	6.4
517.22479	10.3
534.22278	6.2
579.22668	7.2
639.24579	100.0
639.40033	31.0
639.50928	6.8
650.62238	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91818	1.4
61.59659	2.0
67.05508	2.4
68.97986	1.5
69.41163	1.6
71.21458	1.9
85.90530	1.7
86.96087	2.1
203.35675	2.2
243.12668	2.0
285.67715	2.0
320.09158	3.8
433.20258	3.0
434.21094	10.5
435.21628	13.8
448.19067	3.3
449.19928	2.8
462.20612	19.1
463.21115	9.6
475.21625	4.4
479.20514	3.5
507.24850	20.7
527.14771	2.3
535.23541	42.8
573.06915	2.2
595.25574	41.1
639.24426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57569	4.5
152.88307	5.0
176.28110	4.5
187.49327	6.0
193.03697	4.6
203.35530	4.4
203.61154	5.1
218.45341	4.1
223.14236	4.5
295.67221	4.9
459.21664	46.4
461.23404	8.1
519.24078	8.6
531.23615	6.4
538.21332	6.9
547.27423	37.9
606.28387	86.2
609.62250	5.4
621.27454	5.1
639.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.65242	2.3
57.13737	2.0
67.05478	2.7
68.99874	2.4
95.08621	3.2
96.06725	2.8
98.08744	2.6
126.68787	2.9
127.06194	2.5
139.17662	2.4
162.63184	2.4
184.02357	2.8
185.40378	2.7
186.13356	2.6
197.11337	2.7
206.77747	2.7
336.11911	2.8
461.18988	3.7
465.23041	3.4
479.20749	15.7
493.22311	21.6
547.23175	4.1
551.22906	11.2
566.24554	18.0
579.26056	21.2
639.28088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.28
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.10581	2.1
55.26460	2.0
58.89006	2.1
67.05486	2.8
75.03326	2.3
79.05518	2.6
81.07056	2.9
87.11035	2.1
88.30769	2.5
95.08630	3.1
107.08588	3.3
119.08609	2.4
159.11671	3.4
175.30598	2.2
226.71494	2.6
245.82434	2.4
465.22797	6.0
473.67764	3.3
479.24487	28.2
493.26205	18.2
519.22852	3.5
523.23102	13.6
537.25024	29.1
544.23151	2.7
547.23523	4.8
551.26349	13.2
552.27521	19.2
639.28241	100.0
639.44702	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.33358	2.4
51.58632	2.2
58.41746	2.5
66.48528	2.4
68.62804	2.3
70.49702	2.3
90.19524	2.4
116.58983	2.5
132.03201	2.7
147.80301	2.7
420.23175	3.0
421.23807	5.9
451.21304	4.7
460.22208	2.9
465.22452	11.5
474.40952	3.1
492.21106	5.4
493.22119	3.7
503.24399	5.6
507.27280	6.2
535.27234	5.1
537.24878	6.2
552.26410	4.2
561.24609	11.9
580.26678	3.3
602.11902	3.6
609.72198	2.9
621.26764	14.2
639.27954	100.0
668.22198	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33972	0.5
67.05508	0.8
69.00980	0.5
71.67230	0.6
74.46829	0.6
79.05483	0.8
81.07067	0.7
91.05489	0.9
93.07048	1.0
95.08611	1.3
99.04427	0.7
106.77498	0.7
107.08613	0.8
107.52183	0.6
119.08611	0.6
121.10148	0.8
131.08556	0.9
138.52936	0.6
145.10118	0.7
149.62846	0.6
212.14474	0.6
256.98032	0.6
421.20670	0.6
433.20163	0.8
434.20859	3.5
435.21765	5.0
436.22433	0.8
448.22305	1.0
449.19562	3.2
451.21338	1.3
461.19791	3.6
463.20740	1.3
464.22256	0.9
465.23038	4.9
475.21017	0.8
477.23050	1.1
479.20178	9.7
492.24887	1.0
493.21851	13.7
494.22830	2.8
505.22238	1.0
506.26352	4.3
507.23450	18.0
517.21851	1.1
519.24261	0.8
520.24420	0.7
522.30133	0.9
523.23096	1.2
535.22809	1.2
536.23761	0.7
537.24927	3.1
547.23444	3.2
548.23798	0.8
551.23334	5.4
561.29272	1.8
564.23975	0.9
565.24475	2.5
566.25262	8.6
567.26636	7.6
579.30054	23.5
593.02545	0.8
593.29773	0.7
639.30890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33972	0.5
67.05508	0.8
69.00980	0.5
71.67230	0.6
74.46829	0.6
79.05483	0.8
81.07067	0.7
91.05489	0.9
93.07048	1.0
95.08611	1.3
99.04427	0.7
106.77498	0.7
107.08613	0.8
107.52183	0.6
119.08611	0.6
121.10148	0.8
131.08556	0.9
138.52936	0.6
145.10118	0.7
149.62846	0.6
212.14474	0.6
256.98032	0.6
421.20670	0.6
433.20163	0.8
434.20859	3.5
435.21765	5.0
436.22433	0.8
448.22305	1.0
449.19562	3.2
451.21338	1.3
461.19791	3.6
463.20740	1.3
464.22256	0.9
465.23038	4.9
475.21017	0.8
477.23050	1.1
479.20178	9.7
492.24887	1.0
493.21851	13.7
494.22830	2.8
505.22238	1.0
506.26352	4.3
507.23450	18.0
517.21851	1.1
519.24261	0.8
520.24420	0.7
522.30133	0.9
523.23096	1.2
535.22809	1.2
536.23761	0.7
537.24927	3.1
547.23444	3.2
548.23798	0.8
551.23334	5.4
561.29272	1.8
564.23975	0.9
565.24475	2.5
566.25262	8.6
567.26636	7.6
579.30054	23.5
593.02545	0.8
593.29773	0.7
639.30890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3504
Annotation	Pimelea factor P2
Peak:m/z	Relative Intensity
50.60806	1.2
55.80186	1.1
63.23082	1.2
63.90860	1.1
81.07055	1.9
86.65349	1.6
95.08612	2.1
97.76079	1.3
126.22143	1.4
162.27867	1.5
177.24745	1.7
190.05026	1.8
241.44324	1.7
286.31027	1.5
379.41833	1.5
381.06900	1.4
391.22049	1.5
582.13635	1.6
639.35022	100.0
639.51160	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04042	1.8
52.44306	1.9
57.88476	1.8
60.97764	2.0
69.07069	2.0
69.71777	2.5
70.47191	2.1
78.62763	2.3
320.09189	51.1
321.09491	41.8
337.12653	2.8
354.32657	2.4
507.55362	2.5
577.73859	2.4
639.37933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10113	0.9
61.36824	0.8
81.07058	4.3
85.88239	1.0
92.02470	1.0
95.08613	2.1
103.24654	1.0
105.78772	0.9
109.10162	1.1
131.08565	1.2
137.38794	1.0
159.10107	1.0
188.65384	1.1
251.11781	1.0
304.82529	1.4
349.10855	1.2
459.42319	1.1
537.30560	4.1
548.97156	1.2
639.25671	4.3
639.37000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.3
55.05517	8.7
55.35808	1.6
57.03439	3.2
61.17257	1.6
62.86018	1.9
67.05508	21.5
69.03416	9.3
69.07069	9.7
71.04986	3.1
73.02917	16.1
79.05485	18.3
81.03429	21.6
81.07055	24.0
81.28384	2.1
83.04993	5.0
85.02905	7.8
91.05478	11.4
93.07038	21.4
95.04968	4.0
95.08616	23.9
97.02885	4.5
99.04459	100.0
103.06458	1.8
105.07046	18.8
105.19004	2.6
107.08586	16.4
109.02896	3.8
109.06512	4.4
109.10168	10.1
111.04414	2.4
117.07042	8.8
119.08583	11.0
121.09402	2.1
121.10139	17.2
127.03882	3.6
129.07008	9.6
131.08556	16.8
133.06441	2.5
133.10132	13.7
135.08083	2.4
135.11678	4.2
141.05467	8.9
143.08549	3.9
145.06577	2.5
145.10124	13.0
147.08057	4.1
147.11697	12.8
147.71848	2.0
149.13246	3.5
155.08540	2.6
157.06535	2.4
157.10115	10.5
159.11681	10.8
161.13287	4.5
169.10069	3.0
171.11658	7.2
173.13235	8.9
183.11765	3.1
185.13283	2.3
185.29042	2.2
187.14888	2.9
197.13222	2.1
213.12772	3.8
225.12729	2.2
243.08618	3.8
261.22021	3.4
277.21509	2.1
303.22894	2.8
327.23074	2.2
351.23178	9.4
369.24219	23.4
387.25299	15.6
405.26199	4.3
467.27924	11.6
479.06659	2.3
485.28946	21.7
503.29935	19.1
521.30957	2.8
639.24506	3.9
639.40625	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.1
54.38454	1.3
55.01915	1.3
55.05516	3.6
55.17883	1.2
57.03442	2.7
57.07079	2.2
67.05518	13.8
69.03439	7.0
69.07074	5.9
71.04996	2.9
71.08637	20.9
73.02930	19.0
73.22619	1.4
75.30881	1.5
79.05507	16.6
81.03427	20.9
81.07066	17.0
83.08634	8.3
85.02899	6.7
85.06532	2.0
87.04527	1.7
87.62905	1.7
90.11282	1.7
91.05506	12.4
93.07047	22.9
95.04935	3.7
95.08624	15.0
97.02880	2.8
97.06541	2.8
99.04459	100.0
99.08070	11.5
105.07051	11.3
107.04990	2.7
107.08602	16.5
109.02880	9.9
109.10191	7.7
117.07023	3.9
119.08604	9.9
121.10158	8.2
127.03897	15.7
129.07048	3.1
131.08556	3.3
133.10155	8.6
135.11708	11.5
141.05438	7.0
143.08589	3.4
147.11705	9.9
149.13289	3.2
151.11194	10.9
161.13274	11.5
163.11200	3.8
171.08034	1.9
175.11285	1.6
177.12761	1.7
179.14342	9.0
199.14969	2.2
210.50124	1.7
215.63959	1.6
225.07591	3.7
235.16928	2.2
236.91043	1.8
241.19531	2.5
243.08656	18.1
269.15283	2.6
276.93491	1.7
277.21637	37.6
287.16467	22.3
290.10495	1.7
295.22717	2.1
320.09207	26.9
321.09601	25.7
334.10754	2.4
336.12292	2.1
337.12628	3.6
340.55716	1.6
385.19937	14.7
393.26389	6.8
403.21170	3.6
409.08011	1.9
435.27618	2.1
439.26935	1.8
465.28162	2.0
501.28494	8.8
519.29688	13.2
521.25128	2.0
537.30695	18.3
639.31494	17.9
658.67798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01894	1.9
55.05502	8.1
55.42888	1.6
67.05496	9.4
69.03419	4.1
69.07058	8.9
71.04977	4.0
71.08630	19.0
73.02908	18.3
79.05495	16.6
81.03413	18.4
81.07065	20.1
81.98618	1.6
82.83532	2.0
83.08620	9.8
85.02880	3.3
89.96553	1.9
91.05476	9.8
93.07043	25.8
95.04953	2.2
95.08636	15.4
96.30825	1.8
97.02873	4.0
97.06542	2.3
99.04456	100.0
99.08099	13.6
105.07024	13.5
107.04972	3.5
107.08613	12.3
109.02888	14.0
109.10160	9.1
117.06983	4.4
119.08559	10.0
121.10146	11.4
127.03922	19.7
129.07022	1.7
131.04990	2.3
131.08612	4.2
133.10106	12.4
135.11685	9.9
141.05550	2.5
143.08583	8.4
145.06453	3.3
145.10156	2.1
147.11670	8.4
149.13254	4.6
151.11168	11.2
157.10202	2.4
161.13254	11.9
163.11188	3.5
171.11708	3.7
179.14323	9.7
185.13216	3.0
199.14854	2.9
213.16234	2.0
223.14519	1.9
225.07538	3.1
241.19495	2.3
243.08577	14.2
269.15323	4.0
271.55145	1.9
277.21570	43.2
287.16446	15.1
288.76645	2.1
320.09195	27.0
321.09525	23.1
322.10364	1.9
324.08228	2.1
334.10580	2.5
336.12207	10.2
337.12750	17.2
385.19897	21.4
393.26126	8.5
403.20496	5.8
435.27240	3.1
466.52014	2.1
501.28342	3.6
519.29663	14.8
537.30585	19.8
633.18152	2.3
639.32379	11.3
639.54559	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91519	1.2
64.07141	1.3
65.54676	1.1
66.90111	1.3
74.99285	1.4
76.40475	1.2
77.24442	1.3
79.69850	1.1
109.47881	1.4
141.84334	1.4
213.72438	1.5
227.74843	1.4
258.37802	1.4
259.36536	1.4
491.82483	1.6
639.53247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29790	0.3
58.06607	0.7
61.27491	0.3
63.19804	0.3
75.49355	0.4
76.16752	0.4
76.67405	0.4
94.24256	0.4
97.02881	1.7
175.03891	1.5
195.06639	0.4
195.53751	0.4
207.06532	1.4
216.86450	0.5
269.83896	0.4
273.43713	0.4
278.08322	0.4
290.07831	0.4
292.06039	6.3
304.06128	1.3
306.07535	0.6
318.07562	0.6
319.08374	2.6
320.05524	7.9
320.09100	2.7
321.06332	15.1
321.09723	1.5
322.10718	1.7
334.10669	4.4
335.10797	0.5
336.08646	100.0
337.12729	0.8
338.13724	0.5
380.30249	0.4
382.68408	0.4
478.11288	26.1
610.13165	0.5
640.16699	9.1
640.26038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44342	0.8
55.38775	0.9
57.79546	0.8
59.30314	0.8
69.63274	1.0
73.74596	1.0
112.05656	1.0
112.37458	0.9
112.38275	0.9
117.05547	1.6
140.54457	1.0
174.05618	1.5
186.05536	2.1
190.05049	2.5
212.08336	2.1
216.19069	1.1
228.07774	1.5
230.09377	1.2
243.10138	27.2
243.89140	1.0
297.90140	1.2
319.08548	1.5
320.09180	1.7
330.07718	1.3
331.08377	2.3
334.07162	6.8
334.10873	4.4
347.07825	1.2
349.09290	11.2
356.08936	1.1
367.11963	2.0
370.06720	1.9
370.10754	19.6
371.11572	5.1
375.07486	1.2
382.10870	1.8
383.11578	8.6
384.12433	5.1
385.13211	6.6
386.09952	9.6
388.11774	11.6
396.08972	1.2
398.09473	7.6
398.14200	5.6
400.11661	2.1
401.12491	12.3
402.13461	5.5
403.14273	2.0
408.10812	18.4
410.10306	1.6
414.09799	4.8
416.14948	25.9
432.10730	1.7
444.14886	1.8
462.15298	9.7
524.07794	1.4
524.15576	28.7
530.14600	5.0
560.17175	1.2
578.20367	25.8
622.19214	14.3
640.20172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44342	0.8
55.38775	0.9
57.79546	0.8
59.30314	0.8
69.63274	1.0
73.74596	1.0
112.05656	1.0
112.37458	0.9
112.38275	0.9
117.05547	1.6
140.54457	1.0
174.05618	1.5
186.05536	2.1
190.05049	2.5
212.08336	2.1
216.19069	1.1
228.07774	1.5
230.09377	1.2
243.10138	27.2
243.89140	1.0
297.90140	1.2
319.08548	1.5
320.09180	1.7
330.07718	1.3
331.08377	2.3
334.07162	6.8
334.10873	4.4
347.07825	1.2
349.09290	11.2
356.08936	1.1
367.11963	2.0
370.06720	1.9
370.10754	19.6
371.11572	5.1
375.07486	1.2
382.10870	1.8
383.11578	8.6
384.12433	5.1
385.13211	6.6
386.09952	9.6
388.11774	11.6
396.08972	1.2
398.09473	7.6
398.14200	5.6
400.11661	2.1
401.12491	12.3
402.13461	5.5
403.14273	2.0
408.10812	18.4
410.10306	1.6
414.09799	4.8
416.14948	25.9
432.10730	1.7
444.14886	1.8
462.15298	9.7
524.07794	1.4
524.15576	28.7
530.14600	5.0
560.17175	1.2
578.20367	25.8
622.19214	14.3
640.20172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	4.9
72.08162	3.3
75.69421	0.7
81.03417	6.6
85.02927	1.8
86.09692	3.2
90.30665	0.7
91.05476	3.9
93.43954	0.8
99.04408	1.2
101.30363	1.0
107.04955	32.2
109.02900	3.1
119.04945	14.7
121.06465	6.4
123.04425	3.6
127.03942	0.8
133.06418	0.8
136.06319	0.8
136.07584	4.2
143.04982	1.8
145.06503	5.2
147.04419	18.9
149.06044	1.0
157.04128	1.0
161.05965	13.7
164.07082	3.8
175.03902	81.7
207.06514	100.0
237.09099	1.6
255.10121	19.1
272.12784	12.1
320.09256	1.4
334.10831	2.0
336.12463	1.8
351.10873	1.7
511.14960	1.0
511.22501	0.9
622.22565	1.2
640.23853	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20107	0.6
57.97729	0.7
60.70211	0.6
64.81747	0.6
69.03440	1.4
70.06609	1.2
81.03436	3.9
83.25572	0.7
85.02924	1.5
91.05487	3.7
107.04951	23.9
109.02907	3.0
119.04937	13.1
121.06512	0.8
123.04437	4.5
131.12952	0.8
136.07629	0.9
143.04947	3.5
145.06541	3.8
147.04405	17.7
147.79012	0.7
157.03998	1.6
161.05960	11.0
164.07062	3.1
172.69167	0.7
175.03894	73.0
207.06514	87.7
209.09526	0.8
255.10114	19.1
272.12814	11.3
275.93542	0.7
320.09174	4.2
351.10855	1.2
384.95569	0.8
462.15039	0.9
478.18375	0.8
519.51794	0.8
571.99261	0.8
604.55505	0.8
640.23889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94902	0.3
58.06591	0.8
59.22662	0.3
69.03415	0.5
70.06593	0.5
76.74680	0.4
81.03430	5.7
85.02889	1.6
91.05472	4.2
97.59949	0.3
99.04430	0.5
107.04958	33.6
109.02895	3.1
115.05433	0.6
119.04936	15.9
121.06470	1.8
121.99113	0.3
123.04440	5.8
127.03879	0.9
131.04890	0.5
136.07520	0.6
137.05991	0.6
143.04965	2.8
145.06488	5.2
147.04405	20.5
149.05914	1.3
157.03970	2.2
161.05968	12.0
164.07082	3.2
175.03900	80.8
179.06992	0.7
192.04106	0.5
207.06522	100.0
209.09595	0.6
237.09090	1.8
255.10139	16.2
255.12672	0.7
270.11188	0.7
272.12817	12.7
285.87408	0.4
290.70190	0.4
314.17612	0.6
351.10837	1.7
369.11691	0.8
434.17529	0.4
640.23914	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
58.06596	0.2
66.01565	0.2
69.03407	0.5
70.06572	0.4
81.03415	5.1
84.08169	0.3
85.02892	1.8
85.04065	0.2
91.05478	4.6
95.04955	0.2
99.04411	1.1
107.04951	32.8
109.02876	2.9
115.05439	0.5
117.06995	0.3
118.38776	0.2
119.04935	14.8
121.06470	1.4
123.03671	0.3
123.04431	4.9
127.03876	0.5
130.96693	0.2
134.53191	0.2
136.03281	0.2
137.05965	0.3
139.60481	0.2
143.04924	3.1
145.02786	0.2
145.06485	4.1
147.04402	20.2
149.05960	1.4
151.03535	0.2
157.03957	2.3
161.05963	11.8
161.41069	0.3
164.07066	2.9
167.06796	0.2
175.03886	83.8
177.05432	0.5
179.07031	0.5
192.04202	0.3
207.06506	100.0
209.09631	1.0
236.16438	0.3
237.09035	2.0
255.10114	17.6
270.11282	1.7
272.12781	13.7
272.15762	0.4
320.09122	0.4
322.10727	0.4
334.10718	0.4
336.12418	0.4
338.13870	0.4
351.10663	2.3
369.11707	1.1
442.82657	0.2
598.64093	0.3
613.64020	0.3
640.23877	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	4.9
72.08162	3.3
75.69421	0.7
81.03417	6.6
85.02927	1.8
86.09692	3.2
90.30665	0.7
91.05476	3.9
93.43954	0.8
99.04408	1.2
101.30363	1.0
107.04955	32.2
109.02900	3.1
119.04945	14.7
121.06465	6.4
123.04425	3.6
127.03942	0.8
133.06418	0.8
136.06319	0.8
136.07584	4.2
143.04982	1.8
145.06503	5.2
147.04419	18.9
149.06044	1.0
157.04128	1.0
161.05965	13.7
164.07082	3.8
175.03902	81.7
207.06514	100.0
237.09099	1.6
255.10121	19.1
272.12784	12.1
320.09256	1.4
334.10831	2.0
336.12463	1.8
351.10873	1.7
511.14960	1.0
511.22501	0.9
622.22565	1.2
640.23853	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
58.06609	39.7
74.04945	0.9
99.04453	25.9
114.84356	1.0
125.02390	1.3
127.03894	9.4
131.04932	16.0
153.01880	1.6
167.03383	2.6
177.01877	1.2
179.08580	1.1
195.02867	12.8
209.09746	1.3
211.07695	1.2
213.03932	36.1
213.05812	1.8
219.08131	4.4
227.07079	1.2
233.06018	1.2
235.07677	1.5
237.09058	10.5
239.07117	2.3
265.08569	73.4
267.06534	1.5
281.07968	7.7
282.08829	33.7
296.10510	6.1
297.11188	77.6
299.09192	1.8
309.11288	4.8
318.07462	1.5
320.09329	1.6
334.10846	6.4
336.12424	5.5
342.16995	86.4
504.51709	1.2
595.19763	1.6
622.23657	3.2
640.25403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	1.6
61.08920	0.8
62.63956	0.8
68.93648	0.9
69.03440	4.1
70.06583	1.7
81.03436	1.2
85.02919	6.8
87.04481	2.1
89.34978	1.0
91.03914	1.3
97.02888	2.3
98.00277	1.1
98.06075	1.5
106.51488	1.0
107.04956	22.3
116.07093	1.4
121.06481	8.3
131.04982	1.2
136.46356	1.1
145.06519	4.4
153.05496	6.7
154.83801	1.2
159.04387	8.7
167.07101	1.3
179.07039	4.2
191.07083	8.7
191.09505	1.6
194.08290	2.0
196.09743	6.6
208.09686	11.0
222.11263	1.7
225.09192	2.1
241.08533	1.2
253.08604	7.6
273.11349	4.1
285.11200	28.0
285.14001	1.3
301.13199	1.3
309.23004	1.1
316.11667	2.3
316.15436	74.0
478.20651	13.0
510.71121	1.2
546.13483	1.1
640.26056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	1.6
61.08920	0.8
62.63956	0.8
68.93648	0.9
69.03440	4.1
70.06583	1.7
81.03436	1.2
85.02919	6.8
87.04481	2.1
89.34978	1.0
91.03914	1.3
97.02888	2.3
98.00277	1.1
98.06075	1.5
106.51488	1.0
107.04956	22.3
116.07093	1.4
121.06481	8.3
131.04982	1.2
136.46356	1.1
145.06519	4.4
153.05496	6.7
154.83801	1.2
159.04387	8.7
167.07101	1.3
179.07039	4.2
191.07083	8.7
191.09505	1.6
194.08290	2.0
196.09743	6.6
208.09686	11.0
222.11263	1.7
225.09192	2.1
241.08533	1.2
253.08604	7.6
273.11349	4.1
285.11200	28.0
285.14001	1.3
301.13199	1.3
309.23004	1.1
316.11667	2.3
316.15436	74.0
478.20651	13.0
510.71121	1.2
546.13483	1.1
640.26056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06379	3.2
68.64964	3.2
69.52206	3.0
71.01055	3.0
74.87375	3.4
93.13976	3.5
97.02895	88.9
114.88208	3.6
147.04453	6.3
149.02335	7.6
167.03392	44.0
175.03929	48.2
207.06508	100.0
215.07002	3.9
227.31161	3.6
229.08565	6.6
257.08109	5.6
270.07687	6.8
275.09216	7.0
285.07535	6.2
286.07889	18.7
287.08252	26.2
288.08328	16.3
292.09625	4.6
314.06583	30.9
320.09073	14.1
321.09729	74.9
333.26364	3.9
334.10724	19.5
336.12289	85.0
337.12500	15.9
338.13535	7.1
339.10641	16.1
487.54016	4.2
565.71100	4.5
592.19165	4.0
622.23077	19.8
640.19250	4.8
640.27631	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06538	1.5
66.34715	0.3
67.05467	0.4
85.02843	0.8
93.06996	0.8
105.06976	0.7
107.08552	0.6
109.10085	0.5
127.03849	0.5
137.09547	0.5
147.11662	0.7
161.13150	0.4
165.09047	2.2
175.11055	0.4
225.43553	0.3
278.08087	0.5
281.17499	1.8
292.09680	8.0
304.09644	0.9
306.07544	2.2
307.08206	0.4
319.08176	0.4
320.09149	9.2
321.09955	27.9
321.24359	0.6
322.10556	1.7
323.11407	0.5
334.10828	0.7
336.12280	100.0
337.12784	2.0
338.13812	1.8
339.25269	3.2
357.26047	0.5
478.11331	1.8
520.12708	0.5
640.17511	2.5
640.26660	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
154.32344	0.9
188.02924	1.0
199.35938	1.2
245.47899	1.3
370.07080	14.2
372.08774	1.1
381.10013	2.2
383.08041	6.7
384.08749	1.3
385.09644	2.0
396.08813	4.4
409.09570	1.9
412.07977	9.6
414.09708	4.1
428.11319	2.2
481.86511	1.2
564.27032	2.1
578.28699	5.7
592.27075	12.3
606.28601	5.5
607.29913	7.6
622.31647	100.0
640.32727	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61031	1.8
55.01889	2.3
55.05513	13.5
56.05039	4.7
57.03433	2.6
58.06601	18.1
67.05522	28.5
68.05027	3.1
68.96842	2.1
69.07074	17.1
75.57046	2.2
79.05497	13.2
81.07064	37.8
83.08621	12.5
86.06062	9.2
88.39024	1.9
91.05470	4.6
92.05032	2.8
93.07030	14.6
94.06528	2.3
95.04966	13.0
95.08616	27.5
97.02893	3.2
97.06540	3.3
97.10159	5.1
105.07037	3.1
106.06570	11.0
107.08584	10.9
109.10172	14.2
110.06052	2.9
111.37180	2.2
119.08601	2.6
121.10118	11.0
122.06018	66.1
123.11700	5.6
124.07579	3.0
133.10129	5.6
134.05992	3.5
135.11670	3.7
140.07085	38.8
145.10106	2.3
147.11719	2.7
152.07053	13.5
170.08165	9.2
172.55144	2.5
175.59238	2.5
188.09183	62.0
206.10309	3.4
220.03683	21.4
265.08582	14.9
267.09476	2.7
276.06213	2.8
282.08722	3.2
288.65207	2.6
292.09415	2.9
297.11298	4.2
312.06973	2.5
320.09149	31.7
321.09573	11.2
322.10660	9.5
334.10727	10.5
336.12357	4.6
337.27347	57.3
372.04922	2.5
538.29285	16.1
556.30280	100.0
586.31329	12.4
604.32477	21.2
615.06512	2.9
622.33850	27.0
640.33978	21.1
640.41693	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.6
56.05034	1.4
57.03444	11.4
57.07079	2.6
58.06596	6.0
62.26800	1.1
67.05508	44.1
69.07070	33.4
71.08630	1.6
79.05502	14.5
81.07063	58.2
83.08623	21.6
84.33409	1.3
85.51405	1.0
85.90549	1.1
86.06087	1.9
91.05486	9.1
91.33710	1.3
93.07027	17.3
95.04948	1.8
95.08611	42.7
95.91724	1.2
97.06524	4.9
97.10182	9.2
105.07033	7.1
106.06538	2.1
107.08593	7.5
109.10155	20.2
111.11675	1.3
119.08576	8.0
121.10132	10.5
122.05997	19.1
123.11708	9.0
125.09583	2.0
126.42128	1.3
133.10120	6.0
134.06001	2.5
135.11690	6.0
137.13217	2.3
146.28203	1.3
147.11682	6.5
149.03822	1.2
150.41982	1.2
152.07072	2.0
161.13277	2.3
175.14861	2.2
188.09163	13.8
194.66805	1.5
203.90836	1.4
220.03665	40.7
234.69577	1.5
238.12532	1.5
247.74585	1.6
265.08591	6.0
268.05789	8.2
279.81635	1.4
286.06808	18.9
297.11035	2.2
304.07962	22.3
318.07571	1.6
319.08212	2.5
320.09116	30.2
321.09534	11.8
322.10583	2.0
334.10522	9.6
337.27341	100.0
556.30304	25.1
604.32971	9.2
604.41907	1.7
622.33899	10.5
640.18079	3.0
640.34631	13.9
640.41913	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62833	3.2
53.58635	3.5
55.05513	16.3
57.07079	6.8
67.05507	71.0
69.03432	43.8
69.07059	37.6
71.04987	4.4
71.08660	4.1
79.05482	21.3
79.77672	3.5
81.03426	67.6
81.07059	100.0
83.04983	4.1
83.08628	31.3
85.02902	24.5
86.55992	3.5
91.05470	18.0
93.07030	41.5
95.04939	7.5
95.08609	76.6
97.02339	3.6
97.02877	36.6
97.10146	15.8
99.04446	9.5
99.08086	4.9
105.07061	28.9
105.22343	3.8
107.04939	6.4
107.08569	35.7
108.04536	4.3
109.02843	32.2
109.10155	40.1
111.04447	4.6
117.07017	5.0
119.08565	26.8
121.10148	30.2
123.11695	23.9
123.98826	4.1
127.03950	6.7
127.15087	3.7
129.07050	4.6
131.08559	22.7
133.10144	20.5
135.11662	15.9
137.13251	5.9
145.10124	8.3
147.11710	24.7
149.09633	4.8
149.13255	15.4
161.13232	7.7
171.11661	7.0
173.13254	6.8
175.14775	8.5
203.14436	4.3
245.22542	5.8
263.23663	19.6
291.23135	5.8
305.24591	6.3
320.09109	42.2
321.09705	4.1
333.70255	4.0
336.12061	5.9
343.26370	6.3
353.24698	4.6
371.25851	51.6
389.26773	61.1
407.27893	82.2
413.02057	4.6
425.28870	34.0
541.69745	4.9
623.97742	4.4
639.32867	4.0
640.27740	29.0
640.52795	6.5
641.00677	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	2.4
56.76640	1.3
58.06596	1.4
58.70315	1.2
60.04525	14.1
67.05499	2.4
69.03432	9.8
72.04510	3.8
73.02905	1.9
74.06077	11.0
81.03411	3.6
81.07053	3.1
83.08640	1.6
84.04515	7.8
85.02905	17.2
86.06065	8.5
87.04487	1.7
88.51767	1.5
93.07031	2.7
95.08598	6.9
97.02874	15.0
98.06072	1.7
99.04473	2.6
102.05563	3.2
105.07012	2.0
107.08620	1.6
109.10149	2.5
118.05027	1.8
121.06474	2.4
121.10114	1.8
123.24089	1.6
126.05528	2.2
127.03867	1.9
128.07079	1.8
133.10176	2.2
139.25693	1.6
140.07053	3.3
170.08177	2.6
186.07635	3.3
188.09190	7.0
200.09033	1.8
204.08669	7.7
206.10233	57.7
280.26547	2.9
281.63470	1.7
309.12280	1.7
319.08392	8.5
320.09000	2.4
321.09991	2.7
322.27655	2.3
334.10651	14.2
336.12289	15.3
460.32434	5.7
596.25323	2.0
622.38123	25.9
640.28271	17.7
640.38922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40521	0.9
54.59311	0.9
58.70029	1.2
67.05515	3.1
69.03421	1.4
69.07085	1.2
73.02927	1.8
79.05508	1.7
81.03436	1.9
81.07080	4.3
83.08642	2.0
85.02934	1.9
85.06554	2.5
91.05507	1.4
93.07048	2.7
95.08622	2.8
97.02853	1.4
99.04456	20.1
105.07024	1.3
105.58292	1.2
107.08609	2.2
109.10165	2.2
110.40139	1.1
119.08562	2.3
121.10117	2.2
123.82842	1.1
133.10147	1.9
135.11719	2.3
142.49260	1.1
142.50388	1.1
185.13286	1.4
243.08505	1.2
268.69534	1.6
288.64594	1.3
292.09625	5.1
293.21017	1.3
300.29617	1.2
304.09723	1.1
320.09143	22.2
321.09985	21.5
322.10626	1.5
327.62939	1.1
336.12289	100.0
337.12582	2.0
338.13208	1.3
369.24167	2.6
467.27933	2.8
485.28571	1.6
503.29980	2.3
575.08014	1.4
594.78131	1.3
640.36273	33.1
660.74164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.7
55.05526	4.0
57.03434	2.5
59.06839	2.3
67.05516	18.5
69.03432	4.5
69.07077	5.6
71.04988	3.4
73.02921	21.8
79.05489	15.1
81.03416	17.9
81.07056	23.5
85.02925	4.4
85.06544	2.9
91.05477	11.2
93.07052	18.6
95.08586	18.9
97.02887	13.0
99.04459	100.0
105.07038	10.5
107.08604	15.9
109.02819	3.3
109.06523	2.5
109.10171	9.8
111.04413	5.4
117.07008	4.1
119.08588	10.6
121.10120	12.4
123.11847	2.6
127.03895	11.5
127.80856	2.1
129.06999	2.9
131.08586	9.6
133.10129	10.8
135.11670	4.7
141.05490	2.3
143.08537	2.5
145.10133	9.1
147.11662	4.9
157.10124	4.4
159.11740	2.9
161.13211	2.2
161.99638	2.2
164.57123	2.0
171.11781	2.8
171.53851	2.5
173.13277	4.6
197.13171	2.2
243.08586	12.1
261.22092	5.3
308.95300	2.0
315.23093	2.6
369.24185	12.4
387.25421	8.8
467.27563	9.3
485.28851	22.3
503.29947	14.7
521.31567	2.9
562.25092	5.2
640.28339	11.4
640.40381	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92445	2.0
53.03951	9.4
55.05518	4.3
57.03447	2.7
58.75795	2.3
60.77591	2.6
67.05516	20.3
67.98492	2.2
68.96888	2.4
69.03420	2.1
69.07072	5.3
70.08498	2.2
73.02908	23.6
76.41305	2.1
79.05495	13.2
81.03425	17.1
81.07058	21.6
83.04990	5.4
83.08627	2.4
85.02913	11.2
87.04449	3.8
91.05476	12.4
93.07051	16.3
95.04986	4.9
95.08602	17.3
97.02901	11.8
97.06544	3.1
99.04451	100.0
105.07042	5.4
107.08578	17.7
109.02866	4.2
109.10168	9.4
111.04449	5.9
116.25947	2.3
117.07000	4.3
119.08552	12.9
121.10107	6.0
124.68130	2.5
127.03922	9.3
129.07036	3.3
131.08566	16.7
133.10149	15.2
135.11688	4.8
143.08556	4.2
145.10051	10.1
147.11740	5.6
159.07944	2.6
159.11708	5.6
171.06506	3.6
171.11584	3.8
173.13280	3.2
179.89081	3.1
185.09608	3.4
185.13298	5.4
208.67355	2.6
243.08617	10.4
261.22049	3.1
277.21750	3.3
289.48654	2.8
311.97134	2.6
315.23315	2.8
336.12283	4.1
351.23239	11.1
369.24338	15.3
387.25027	10.3
405.26575	3.6
467.27975	11.4
469.28552	2.6
485.28836	15.4
503.29977	22.4
602.58905	3.0
640.24353	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	31.1
57.94075	4.5
66.30146	5.1
71.08636	34.2
75.52182	5.4
76.58741	5.7
83.08673	6.2
85.10191	19.9
89.06043	100.0
133.08629	32.7
150.12935	5.4
152.37700	5.3
196.55658	6.1
216.19009	5.1
311.84576	5.2
371.22852	8.8
377.81146	5.8
433.58896	5.9
623.51379	53.2
640.53558	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99099	0.3
58.06606	1.6
72.87263	0.3
88.58682	0.3
99.04469	0.7
103.65395	0.4
105.05396	0.3
113.77821	0.3
145.44125	0.3
174.05510	0.7
177.05560	0.4
213.03983	0.6
265.08676	1.3
266.08990	1.4
276.93109	0.4
297.11264	1.4
298.11560	2.1
320.09116	1.3
334.10748	0.5
342.17148	0.6
343.17334	1.7
426.09686	0.8
430.65643	0.4
439.06726	0.4
452.07397	0.4
454.09253	11.7
489.10538	0.4
495.13113	0.4
523.13037	1.7
524.13708	1.4
551.12476	2.1
552.13165	4.6
553.13959	1.6
554.14471	0.6
579.11914	2.1
580.12689	11.3
580.35602	0.5
581.13281	2.0
583.11292	5.0
596.11957	1.9
597.12952	9.8
598.13361	0.5
608.12231	1.8
609.12787	4.6
611.11328	0.7
625.12488	10.5
626.13220	11.0
641.15540	100.0
641.24603	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75710	0.4
64.20605	0.6
89.56168	0.5
89.75172	0.5
92.20963	0.6
114.97314	0.6
124.72105	0.6
127.14825	0.5
138.43022	0.6
174.05531	1.0
181.04924	0.8
318.07822	0.6
319.08423	1.1
320.08975	2.2
334.10785	3.6
336.12506	1.0
435.81787	0.6
454.09134	12.3
454.14758	0.9
522.12592	0.6
523.12762	2.2
524.13928	0.7
551.12311	2.4
552.13324	4.7
553.13763	1.2
555.12091	0.7
569.13409	0.8
579.11798	1.1
580.12775	10.2
581.13257	3.4
583.11053	4.1
596.12134	1.0
597.12994	10.3
608.12396	0.8
609.12805	6.2
611.11133	0.7
625.12238	11.8
626.13184	11.3
641.15491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92776	1.4
67.45454	1.6
128.06300	2.4
129.94984	2.0
136.89485	1.8
138.33226	1.8
257.94965	1.9
309.00296	2.2
319.08234	3.0
320.09277	7.0
334.10776	7.5
335.11249	2.0
336.12253	2.7
357.71353	2.2
489.10828	24.5
551.12384	8.8
552.13336	2.5
553.13525	3.1
580.12781	11.8
583.11267	11.1
597.13104	10.4
625.12329	29.8
626.12915	3.9
641.15448	100.0
641.26129	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88716	0.3
75.42440	0.2
75.92887	0.2
126.75075	0.3
158.49663	0.3
167.07045	0.4
278.08157	0.5
302.08081	0.3
305.10297	0.4
318.07736	0.4
319.08371	1.3
320.09113	3.4
334.10626	3.7
335.11456	0.6
336.12384	2.2
337.12537	0.6
537.14478	0.4
567.15686	0.7
583.14856	2.2
585.16461	1.7
595.14612	1.6
611.14728	3.3
613.16010	7.9
617.07123	0.4
641.15393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22373	0.5
58.06610	0.5
64.15603	0.5
74.85403	0.6
93.86169	0.5
127.40945	0.6
174.05463	0.7
290.08154	1.0
318.07581	1.1
319.08289	4.0
320.09244	4.5
334.10703	8.2
335.11276	2.4
336.12201	2.2
410.10336	0.8
454.09198	12.8
523.13171	1.2
524.13507	0.8
551.12354	2.7
552.13342	4.7
568.12518	0.8
579.11853	0.9
580.12653	11.4
581.13184	3.7
583.11395	4.7
596.12054	2.1
597.12915	10.5
608.12030	1.1
609.12970	4.5
611.11395	2.3
625.12378	12.0
626.13196	10.3
641.15472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64651	0.8
58.06608	1.9
60.11679	0.9
61.23626	0.8
71.56873	0.8
74.85866	0.9
77.41809	0.8
78.87321	0.8
87.44964	1.0
112.35107	0.9
128.01173	0.9
172.08179	1.0
204.77600	0.9
214.15399	0.8
319.08423	4.2
320.09109	8.4
334.10797	6.1
336.12228	1.6
489.10782	33.0
513.10712	3.8
523.12659	1.1
551.12500	8.8
552.13062	5.0
553.13721	1.4
568.12439	1.2
580.12628	13.2
580.42517	1.0
583.11389	11.3
597.12805	10.6
608.11786	1.4
611.10846	2.2
625.12451	29.3
626.13055	4.4
641.15430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43890	0.4
59.50911	0.5
68.22779	0.5
80.67785	0.6
99.85349	0.6
103.86450	0.5
106.06606	0.6
125.52774	0.5
308.09338	0.6
318.07571	0.8
319.08386	2.7
320.09027	4.5
334.10675	5.3
335.11169	0.6
489.10751	25.4
513.10980	2.9
523.12518	0.8
551.12372	9.0
552.13226	2.6
553.13580	1.0
565.09747	0.6
567.11786	2.2
568.12537	1.1
580.12744	12.1
581.13458	2.0
583.11517	7.6
595.11475	0.8
597.12628	8.2
607.10480	0.7
608.12231	0.8
609.13507	1.2
611.11066	4.4
625.12433	25.7
626.13031	5.3
641.15479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88716	0.3
75.42440	0.2
75.92887	0.2
126.75075	0.3
158.49663	0.3
167.07045	0.4
278.08157	0.5
302.08081	0.3
305.10297	0.4
318.07736	0.4
319.08371	1.3
320.09113	3.4
334.10626	3.7
335.11456	0.6
336.12384	2.2
337.12537	0.6
537.14478	0.4
567.15686	0.7
583.14856	2.2
585.16461	1.7
595.14612	1.6
611.14728	3.3
613.16010	7.9
617.07123	0.4
641.15393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09948	0.5
59.30523	0.4
79.19527	0.7
79.26585	0.5
115.40473	0.6
116.77238	0.5
137.06023	0.8
159.04131	0.8
181.04974	2.3
185.23485	0.5
232.73335	0.6
292.09720	1.0
307.08484	0.8
308.09000	0.9
320.09146	15.6
320.12689	0.7
321.09491	12.3
322.09921	1.4
336.12469	0.8
384.15558	0.6
424.11758	1.1
452.11353	3.4
583.15002	13.0
597.16626	23.5
609.16589	12.0
611.14520	31.8
625.05786	1.0
625.16064	30.3
626.16949	8.3
641.19080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09948	0.5
59.30523	0.4
79.19527	0.7
79.26585	0.5
115.40473	0.6
116.77238	0.5
137.06023	0.8
159.04131	0.8
181.04974	2.3
185.23485	0.5
232.73335	0.6
292.09720	1.0
307.08484	0.8
308.09000	0.9
320.09146	15.6
320.12689	0.7
321.09491	12.3
322.09921	1.4
336.12469	0.8
384.15558	0.6
424.11758	1.1
452.11353	3.4
583.15002	13.0
597.16626	23.5
609.16589	12.0
611.14520	31.8
625.05786	1.0
625.16064	30.3
626.16949	8.3
641.19080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96226	1.1
55.31174	1.0
59.79436	1.1
65.03926	1.1
65.23487	1.2
74.75216	1.3
82.42709	1.1
88.65466	1.4
91.05476	1.5
95.04957	1.5
107.04963	3.1
115.05426	2.5
117.06985	4.8
120.05703	2.8
133.06506	1.5
137.05991	5.6
145.06479	13.0
148.05200	2.1
151.07608	1.3
153.05418	2.2
153.33945	1.2
155.06035	1.5
156.01747	1.4
165.05467	6.8
167.07024	67.6
171.06512	1.9
173.05980	31.7
175.07547	1.7
177.05554	1.4
181.04945	100.0
191.06985	1.3
195.06525	1.8
201.05560	3.1
201.64763	1.4
202.06349	1.3
203.07060	5.7
205.08629	9.9
219.06502	2.9
220.07327	2.8
233.08072	6.3
235.09717	2.6
246.18272	1.4
294.82007	1.3
310.08401	1.7
313.14606	1.3
320.09100	8.4
321.09747	4.7
322.10327	5.4
323.11279	2.6
325.10516	2.0
334.10623	5.6
336.12357	10.7
337.12708	9.1
338.13428	2.5
339.14160	3.1
353.15698	1.8
355.11893	2.3
357.13162	2.0
385.12680	8.1
386.13562	1.5
391.66092	1.7
415.13763	5.4
416.14420	2.8
444.00717	1.5
554.20001	1.5
597.15753	1.6
611.13599	2.1
641.12830	6.0
641.23145	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
69.03413	1.7
73.52412	1.0
81.03410	1.2
85.02913	8.9
85.51628	1.0
97.02914	2.4
105.07053	1.5
107.04958	1.4
107.49234	1.1
115.05496	1.2
131.04932	1.6
133.06499	2.3
137.05981	17.8
151.07478	1.6
161.05969	48.6
163.07544	6.6
167.07083	1.5
175.07550	21.0
177.09106	4.4
186.34839	1.4
219.10139	5.1
233.09647	2.2
252.07729	1.9
261.09189	6.5
263.64102	1.3
265.08591	25.5
265.11725	2.0
267.10208	1.9
278.09293	2.4
283.13065	1.3
284.10406	1.7
293.11789	17.7
297.11316	10.2
299.12717	2.3
310.12122	1.6
311.12747	60.7
311.16217	2.4
320.08914	1.7
321.09842	7.5
322.10373	2.6
323.11386	1.2
325.14267	4.5
334.10736	2.2
336.12354	16.4
337.12640	18.0
338.13705	1.5
343.15424	100.0
462.17407	5.9
598.37433	1.3
641.27533	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
79.05515	1.1
81.70245	1.0
97.02913	1.3
99.04462	1.6
103.05474	1.3
107.05006	1.3
114.09167	2.6
115.03918	1.5
119.28236	1.1
127.03959	1.8
127.12502	1.2
127.22822	1.0
131.04906	13.8
133.06424	1.2
137.05974	23.0
145.06476	1.2
151.07516	8.3
161.05949	4.6
163.07536	42.7
167.07056	11.0
173.05971	1.5
175.03905	1.7
175.07559	1.7
177.05545	1.8
177.09108	100.0
181.04988	11.2
195.10289	1.6
207.06450	10.5
208.06874	2.8
221.11697	23.1
227.64702	1.2
297.11047	1.7
311.12872	1.5
320.09174	6.1
321.09842	1.6
331.15619	1.8
334.10779	2.3
336.12228	1.9
339.10495	1.6
340.11227	2.4
343.15524	2.3
345.17148	1.9
415.13791	2.7
452.11847	1.3
515.93085	1.2
583.15002	3.8
597.16553	8.7
609.16425	1.6
611.14441	10.0
625.16211	8.5
641.19202	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48998	1.4
55.01862	2.1
58.06599	1.6
93.07030	2.0
103.05457	9.6
117.07001	2.1
128.06264	2.0
131.04939	39.1
137.05986	58.4
143.08624	12.8
145.06476	2.9
149.05988	3.9
149.09634	4.4
151.07513	24.2
157.06520	2.5
161.05972	6.8
163.06184	4.0
163.07538	100.0
171.08055	35.2
175.07545	53.0
177.09088	22.9
181.04950	2.1
187.11014	2.2
189.09059	19.1
192.06570	2.4
203.10660	20.8
220.11081	3.5
221.09525	2.0
253.08513	6.9
253.12067	8.0
265.08463	3.2
281.11716	3.0
285.11179	10.6
292.09592	2.8
295.74182	2.4
296.11276	9.8
297.11185	3.0
313.14398	3.9
319.08383	2.6
320.09125	10.8
321.09894	8.4
322.12915	62.0
323.11401	3.7
330.14661	2.8
334.10773	9.3
336.12186	21.4
337.12704	13.2
338.13626	12.4
339.14285	8.5
352.15533	3.1
353.15891	2.9
432.16562	44.1
444.16422	20.4
462.17383	2.4
641.30121	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89606	4.1
51.84031	4.0
59.57734	4.4
61.69822	4.1
64.94855	4.2
67.05517	11.0
81.07066	10.1
85.06590	4.6
93.07048	7.9
95.08602	8.5
105.07066	10.2
107.08589	7.7
109.10188	7.0
119.08559	8.8
121.10123	7.0
131.08527	5.2
141.16953	4.9
145.10132	7.7
148.39641	5.6
172.66441	5.8
369.11917	6.1
559.02771	5.9
623.42255	9.6
641.25873	100.0
641.38025	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2599
Annotation	Agrimol F
Peak:m/z	Relative Intensity
57.91367	1.8
60.11078	1.7
63.63818	1.4
64.77660	1.5
82.16090	1.5
92.01515	1.6
93.84077	1.6
95.08616	3.0
107.08617	1.9
109.10168	2.0
226.14607	1.7
239.11705	2.3
239.15381	1.7
240.12538	2.4
241.09882	1.8
253.13376	1.9
265.13486	1.9
267.14865	3.7
441.81030	2.4
448.19196	3.1
477.23328	2.1
525.21136	1.8
535.23254	3.0
591.22461	7.1
608.26324	3.7
623.24823	10.5
641.25922	100.0
641.39648	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.26
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64870	3.1
81.07046	4.0
87.45817	3.1
133.19641	4.1
145.10080	3.7
166.47528	4.1
187.25117	3.9
201.10466	4.2
353.55045	4.5
475.21210	19.9
477.22672	6.3
535.22723	6.6
549.24750	15.8
608.26166	100.0
624.25488	8.9
641.26300	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2587
Annotation	Agrimol F
Peak:m/z	Relative Intensity
53.00665	2.9
77.34819	3.1
81.07071	3.5
98.50457	3.1
107.08581	3.8
120.18903	3.3
121.10145	4.1
131.08623	3.8
145.91109	4.4
157.52959	3.9
182.42841	4.2
259.57547	4.0
317.15558	3.8
382.15259	4.5
463.20874	19.3
477.22839	8.0
492.24384	4.9
536.24194	22.9
537.24585	13.8
554.24695	16.8
569.27570	4.7
597.26862	6.1
623.24902	24.3
641.26129	100.0
641.43225	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20397	0.9
54.91091	0.8
55.05519	1.6
57.07076	1.1
57.23041	0.9
62.42852	0.9
63.12691	1.1
67.05509	2.0
69.07050	1.1
71.04984	1.0
75.04437	0.9
75.68304	1.1
81.07069	5.4
83.08631	2.2
93.07024	1.4
95.08593	4.7
97.10133	1.9
107.08671	1.3
109.10163	2.4
111.08096	1.2
111.11658	1.2
142.20239	1.1
148.77652	1.1
156.10168	1.3
166.15965	1.0
170.11685	1.2
175.14844	1.2
212.16437	2.2
280.26230	1.8
280.61887	1.3
320.24341	4.2
344.24100	2.3
377.64389	1.1
419.18503	1.7
434.20895	4.7
461.16083	24.1
462.20517	23.5
466.20062	1.4
475.17523	5.8
490.19958	100.0
491.20590	4.5
494.19495	5.7
535.23267	1.9
563.22833	1.9
567.13116	1.4
573.21490	1.7
591.22308	24.5
623.25049	40.5
623.49927	7.6
641.25940	45.8
657.74738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28838	0.5
55.05516	0.7
55.46341	0.6
63.42217	0.6
66.67134	0.7
67.05498	1.5
79.05511	1.4
80.72307	0.6
81.07081	0.8
83.08649	0.8
91.05456	0.7
93.62733	0.7
95.08627	3.1
105.07045	1.1
105.34584	0.9
107.08649	0.9
109.10191	1.0
117.07101	0.9
119.08620	2.7
141.12340	0.6
141.87344	0.7
175.96611	0.7
320.92783	0.8
336.12524	1.4
407.21991	1.2
423.22205	2.5
436.22983	5.0
437.23660	3.4
451.21191	1.1
467.20782	17.2
468.21326	2.9
479.24548	1.5
481.22510	16.6
482.23322	4.7
491.24667	1.2
493.26212	1.1
495.23935	1.6
503.20569	1.4
507.24106	1.4
508.20840	1.7
509.25760	11.6
510.26248	2.7
519.23987	12.1
520.24524	1.1
521.22125	2.7
523.23322	4.6
525.21021	2.8
535.23492	2.7
537.25220	4.9
539.22729	10.6
551.23523	0.8
553.24805	6.8
554.25079	9.0
563.22974	5.7
581.24109	6.0
597.27710	1.1
623.25232	1.6
623.42328	1.2
641.26056	100.0
641.43018	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50795	0.6
56.78511	0.5
61.50662	0.6
81.07050	1.3
82.50379	0.6
93.09140	0.8
136.71129	0.8
268.39059	0.8
336.12366	1.1
342.61591	0.8
398.18799	0.9
423.21924	1.2
436.22638	4.7
437.23428	4.3
451.21265	1.1
467.20709	16.7
468.21469	2.6
479.24463	1.7
481.22354	16.5
482.23111	4.3
489.22900	1.2
491.20187	0.9
495.24155	1.1
508.21225	3.1
509.25507	9.1
510.26016	2.8
519.23871	10.8
521.22009	1.5
523.23431	5.5
525.21350	0.8
535.23511	3.6
537.25073	7.2
539.23004	8.7
545.21838	0.8
553.24475	5.7
554.25214	8.3
563.22809	6.4
581.23584	6.1
597.27203	1.1
623.24902	3.0
641.26019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95457	0.5
50.95678	0.5
55.05525	0.6
60.86160	0.4
64.27020	0.4
64.68250	0.5
67.05505	1.1
68.75485	0.5
69.07084	1.1
71.98399	0.5
79.05509	1.4
81.07064	3.2
83.08634	0.5
84.66779	0.5
90.28487	0.6
91.05475	0.6
93.07043	1.0
95.04996	0.5
95.08617	2.6
97.10197	0.8
105.07043	2.4
107.08580	1.1
109.10139	1.0
119.08553	0.7
123.08146	0.6
130.54333	0.7
135.11720	0.6
147.11708	0.6
172.51762	0.7
193.51584	0.6
281.13007	0.8
337.20929	0.6
423.21912	2.8
436.22665	2.7
437.23462	3.8
451.21399	1.2
453.22916	1.0
463.21158	0.9
467.20648	12.7
468.21530	2.2
475.21252	0.7
476.21918	0.9
477.22839	2.5
481.22064	13.8
482.23300	3.3
491.19598	0.7
491.25467	1.7
495.23996	2.4
503.20828	1.3
505.22485	1.4
507.20517	0.9
508.20923	1.0
509.25620	8.7
510.26126	2.1
517.22437	0.7
519.24084	7.8
521.21790	1.0
523.23108	7.1
525.21826	3.0
535.23499	2.8
537.24915	3.9
539.22943	5.4
545.21844	1.3
553.24481	3.9
554.25409	7.5
563.22864	2.4
581.24408	2.4
597.27258	1.2
623.25012	2.9
623.42920	2.8
641.26044	100.0
641.41577	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
59.09316	1.4
59.44672	1.4
67.05516	3.9
69.07063	1.5
70.36760	1.6
79.05476	3.7
81.03415	1.6
81.07056	7.0
83.08639	2.0
83.27856	1.8
91.05482	3.8
93.07045	3.7
95.08603	7.9
99.04446	2.0
105.06985	2.4
109.10144	2.6
119.08590	7.2
120.04378	1.7
121.10130	2.5
131.08566	2.3
133.10168	3.6
135.11652	1.8
145.10120	2.0
147.11742	2.9
336.12009	2.3
461.15814	11.2
462.20526	8.8
463.21124	2.1
465.22852	4.0
477.22748	2.9
479.20715	2.5
490.20096	37.7
491.20450	11.3
501.22650	10.7
503.20621	2.4
519.23846	7.7
521.21478	3.1
522.22400	2.0
536.24286	2.9
537.24811	3.8
539.22577	3.4
591.22260	11.5
605.38531	4.3
609.23163	2.9
623.25092	21.9
623.40021	6.7
641.25824	100.0
641.39319	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80958	0.6
55.05515	1.0
56.36010	0.6
58.06591	0.9
60.23532	0.6
65.01005	0.6
67.05500	1.3
79.05489	1.5
81.07049	4.7
81.39520	0.6
83.08630	1.0
86.16714	0.6
91.05489	0.8
93.07050	3.6
95.04966	1.0
95.08608	4.4
105.07034	1.6
107.08623	1.6
109.10172	1.5
119.08627	0.9
120.54115	0.6
121.10133	1.2
131.08585	1.4
133.10118	1.3
236.71780	0.6
334.10626	0.8
423.21878	2.9
433.45135	0.7
436.22540	3.7
437.23492	4.1
453.23352	1.4
467.20825	14.2
468.21661	2.5
475.21661	1.0
476.22189	0.9
481.22250	13.4
482.23291	1.2
490.19437	0.8
491.24475	3.4
495.23914	1.4
501.23322	1.3
503.20630	0.9
504.21933	0.9
505.22586	1.1
507.20203	1.2
509.25522	11.3
510.26477	1.5
519.24109	9.1
520.24591	1.0
521.21844	1.4
523.23358	6.5
525.21234	1.3
535.23169	2.7
536.23700	1.0
537.25110	3.6
539.22882	4.6
553.24493	4.1
554.25092	7.4
557.60913	0.9
563.22998	4.5
564.23663	0.8
581.24182	1.3
597.26782	1.2
623.25238	4.7
623.43353	2.8
641.26019	100.0
641.42786	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02548	0.8
58.41826	0.7
66.70975	0.6
67.05508	1.4
79.05504	0.9
81.07069	1.6
95.07947	0.8
95.08588	1.7
107.08590	1.0
107.54826	0.9
109.10199	0.7
153.14726	1.0
156.99580	0.8
187.65503	0.8
358.46063	0.9
411.26019	0.9
419.22595	1.5
433.23981	10.6
436.22647	1.1
447.26245	1.3
451.21460	1.0
459.22415	1.6
460.19180	0.9
462.20743	1.4
463.21405	1.9
470.67838	0.9
475.24829	4.5
477.22940	9.2
479.24686	1.2
481.21606	2.0
489.19302	1.3
490.20111	3.5
491.20395	27.7
492.25330	14.1
501.23080	3.8
502.23358	1.5
503.20697	3.6
517.22369	3.9
519.23932	8.5
520.24139	1.2
521.21906	1.4
524.24426	3.3
535.23547	1.1
536.24518	11.4
537.24573	3.6
539.22247	1.4
545.21918	4.4
547.93066	0.9
554.25122	1.3
563.22705	10.2
578.30347	1.0
579.26050	2.0
581.23743	1.7
623.24860	13.6
641.25958	100.0
641.40479	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
55.70852	2.1
55.98037	2.2
58.33073	2.4
67.05516	6.0
81.07061	4.1
91.05477	3.3
95.08599	4.8
95.55981	2.4
99.04464	15.1
107.08559	2.9
109.10179	2.8
125.24727	2.6
201.22395	2.5
248.06609	2.3
263.16055	2.6
287.37866	2.6
320.09113	3.3
320.24344	5.1
362.25327	4.1
454.20953	3.0
467.20743	3.4
481.22165	24.9
486.71124	3.2
495.23773	20.0
505.21735	4.7
511.23541	3.6
525.24915	11.4
539.22839	22.3
549.21301	3.9
553.24280	11.3
554.25287	26.8
641.26086	100.0
641.39417	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15540	0.6
67.05508	1.5
76.61834	0.8
79.05502	0.8
81.07066	2.9
90.20194	0.7
91.05466	0.7
92.21503	0.8
93.07069	0.7
95.08601	0.9
95.44579	0.6
105.07007	1.1
107.08606	1.1
109.06535	0.7
109.10160	0.6
113.52885	0.7
117.07115	0.6
119.08622	1.4
133.10165	1.0
140.38222	0.6
159.11720	0.9
171.11681	0.7
173.49007	0.8
321.09943	0.8
336.12527	5.1
337.12848	1.7
353.06970	0.7
419.18521	0.8
421.20285	3.5
422.20764	0.8
448.18973	1.7
449.19858	3.4
450.20804	0.8
461.19708	0.9
462.20404	1.1
463.17752	4.4
477.19382	0.8
478.20239	0.9
481.22430	1.3
493.22296	8.4
508.20782	2.4
509.21863	1.0
511.24036	0.8
521.21808	4.4
522.22174	1.3
523.22980	1.2
525.21057	1.2
535.23712	5.2
537.23920	1.4
539.23120	0.9
550.21832	0.9
553.24725	15.6
563.23383	4.8
581.24060	9.5
597.26941	1.3
613.26685	3.0
641.26001	100.0
641.43829	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2963
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05510	0.9
60.39784	0.7
67.05515	1.8
69.07056	1.0
73.48413	0.8
75.04478	16.9
75.68739	0.8
79.05493	2.0
79.74691	0.7
81.07047	3.4
93.07040	1.5
95.08611	3.2
97.10139	0.9
97.41064	0.8
103.16634	0.8
105.07041	1.7
107.08630	1.1
107.57765	1.0
119.08575	1.1
121.10167	1.0
133.10088	1.6
153.69482	0.7
173.13181	0.8
183.80257	0.8
193.44026	0.8
211.01224	0.8
225.33669	0.9
239.04208	0.8
285.35199	0.7
320.24332	0.8
390.18039	1.2
405.16876	0.9
433.20398	1.8
434.20923	4.9
435.21823	1.0
461.15033	16.3
462.20480	24.2
463.20911	3.1
475.17258	3.2
490.19971	76.6
491.20322	4.6
493.22241	1.2
494.19415	5.4
495.24066	1.0
503.20343	0.9
507.24335	6.1
508.24347	3.2
509.25406	3.9
521.21985	3.7
522.22174	1.0
534.23083	3.2
535.23413	19.3
553.24329	5.0
562.21906	1.4
563.22809	1.0
567.25726	3.1
581.27740	16.9
591.22479	18.0
594.24939	7.5
595.25281	5.1
609.26727	4.3
623.24969	31.2
641.29620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Crooksiine
Peak:m/z	Relative Intensity
56.54151	1.1
63.20432	1.1
74.66285	1.4
75.03078	1.1
77.88908	1.0
92.61501	1.2
172.77359	1.3
200.21568	1.1
242.93631	1.3
310.16443	1.6
320.09317	1.6
343.95157	1.3
423.22122	1.3
434.20929	1.9
435.21933	7.6
449.19812	6.9
463.21014	2.4
464.22668	2.1
493.22668	2.1
494.23016	2.8
495.24155	5.8
521.25793	15.9
535.23370	1.6
563.23456	1.7
581.27576	38.2
613.29663	1.8
623.25000	2.2
641.29730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
58.06612	0.8
62.69576	0.5
67.05506	2.1
69.07058	0.8
79.05508	1.2
79.51398	0.5
81.07082	3.3
91.05508	0.7
93.07068	2.5
95.08645	2.4
97.06590	0.6
105.07101	0.8
107.08607	0.7
109.06553	0.7
109.10204	0.6
117.07091	0.7
118.74371	0.5
119.08583	0.9
121.10121	1.1
131.08600	0.8
133.10210	1.2
136.35521	0.5
139.21141	0.5
145.10130	0.9
151.11446	0.5
159.11728	0.6
161.34517	0.5
175.11005	0.5
201.58441	0.5
291.19617	0.6
336.12650	0.6
433.20593	1.9
434.21475	2.2
435.22168	3.1
448.23337	0.6
449.19830	0.7
462.21042	0.7
463.21539	0.7
476.21109	0.6
477.23459	1.0
479.21045	1.2
493.22397	0.6
495.23886	2.0
507.24097	16.9
508.24701	3.2
509.25803	2.5
521.24695	0.5
534.12720	0.5
535.23376	22.5
539.18646	0.6
549.24884	5.1
550.25757	0.7
553.24786	2.8
563.23584	0.7
566.23096	0.9
567.26239	7.2
581.27783	14.1
593.27826	0.9
595.25543	28.0
609.26788	2.8
623.42877	2.3
641.29852	100.0
641.41199	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.34071	0.4
52.85386	0.4
55.05526	0.7
65.83453	0.5
70.10023	0.5
75.51884	0.5
75.52634	0.4
75.66030	0.6
79.05500	0.7
81.07075	2.1
93.07050	0.6
95.08649	0.8
99.04460	0.9
107.08673	0.6
119.08588	0.7
121.06508	0.7
131.08696	0.6
198.38713	0.6
333.20029	0.6
337.12732	0.7
433.20206	1.2
434.21265	2.8
435.22092	3.3
462.20602	1.1
463.21359	2.0
477.23355	1.0
489.23236	0.7
493.22003	0.8
495.24072	2.8
507.23962	15.7
508.24921	4.6
509.25900	1.3
516.75104	0.6
521.26007	0.8
535.23352	21.1
549.25018	5.6
550.26300	0.6
551.27069	0.7
553.25305	2.8
563.22565	1.0
567.26178	7.6
581.27716	15.8
591.22870	1.1
593.27502	0.9
595.25507	27.8
609.27026	2.5
623.25372	0.6
641.29834	100.0
641.40295	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59565	0.4
51.52888	0.5
55.05511	1.0
56.38988	0.4
57.07087	0.5
57.19636	0.4
65.56390	0.5
67.05504	3.5
69.07066	2.1
70.58528	0.5
71.08632	0.6
79.05476	1.3
80.91585	0.6
81.07066	4.2
85.06570	0.9
87.63595	0.5
91.05500	0.7
93.07056	2.4
95.08621	3.3
97.10161	1.1
99.04463	1.0
107.08585	1.1
109.10149	1.1
121.10174	0.6
133.10086	0.8
140.91414	0.6
147.11649	0.7
149.13333	0.6
159.10063	0.6
173.14685	0.5
175.04025	0.6
320.09183	1.3
334.11020	0.9
335.11166	0.8
336.12341	5.1
337.12546	5.7
372.33942	0.6
385.14844	2.7
591.37280	0.8
641.38507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.1
55.05510	1.4
57.07091	2.4
62.39682	1.1
67.05502	7.9
69.03464	3.7
69.07096	1.5
71.05033	1.1
76.09142	1.1
79.05497	4.9
81.03432	10.4
81.07072	12.1
83.08611	1.4
83.34815	1.2
85.02910	5.1
85.06548	61.7
91.05489	2.7
93.07030	4.7
95.08582	9.6
97.02911	5.6
99.04464	100.0
105.07032	2.7
107.08593	1.9
109.02924	1.3
109.10175	5.7
117.05495	7.4
119.08605	2.1
121.10163	1.7
123.11703	1.6
127.03966	1.8
127.22374	1.2
131.08585	1.9
133.10097	1.3
145.10161	2.7
147.11731	1.2
185.13029	1.4
226.85750	1.1
277.21753	1.4
279.23083	5.0
336.12225	1.8
337.12601	1.4
363.28983	5.6
403.54587	1.6
449.51175	1.3
540.24481	1.4
641.26367	9.6
641.39972	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3883
Annotation	Guineamide C
Peak:m/z	Relative Intensity
53.03960	5.1
55.05518	9.4
57.03446	2.5
57.07049	2.0
67.05512	25.8
69.03428	8.5
69.07072	9.6
70.86551	2.0
71.05001	2.5
71.08630	2.5
71.85205	2.0
73.02917	13.0
79.05495	10.2
81.03419	19.1
81.07062	29.2
83.04986	3.9
83.08617	10.4
85.02879	3.9
91.05487	11.8
93.07034	22.1
95.04953	3.1
95.08607	29.2
97.02895	12.5
97.06514	2.4
97.10165	4.2
99.04459	100.0
100.04791	3.9
105.07039	11.2
107.04974	3.2
107.08604	11.9
109.10162	13.1
111.04445	3.9
112.33853	2.1
117.07050	3.5
119.08564	9.3
121.06503	2.1
121.10133	10.3
123.11749	3.4
127.03915	4.7
131.08578	13.8
132.38893	2.3
133.10123	9.6
135.11720	3.7
141.05434	3.2
143.08569	3.7
144.29539	1.9
145.10103	4.9
147.11717	4.6
155.08540	3.4
159.08075	3.1
161.13231	3.9
175.14922	3.0
177.12871	2.7
177.16344	2.1
185.13393	3.6
187.14862	3.8
243.08652	11.7
280.23755	2.2
371.25739	14.9
389.26712	4.2
407.27835	9.2
445.70502	2.3
469.29413	12.7
487.30533	19.7
499.79242	2.4
505.31409	11.9
641.25641	17.4
641.40918	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.0
57.07083	1.5
58.06604	1.3
67.05513	14.7
69.07055	5.2
70.06579	0.9
71.04961	1.2
71.95696	0.7
72.08158	1.8
73.02905	1.3
79.05493	8.7
81.03403	1.9
81.07063	18.6
82.14061	0.8
83.08615	4.8
85.06523	1.4
86.91533	0.7
91.05457	6.1
93.06564	0.8
93.07055	12.7
94.06566	1.1
95.04948	1.0
95.06100	3.5
95.08610	16.6
96.06891	1.4
97.06534	1.2
97.10175	1.6
98.09684	1.1
99.04446	9.0
105.07050	6.3
107.08613	8.6
108.08127	1.4
109.06481	1.1
109.07619	1.7
109.10180	8.5
110.09710	1.1
110.22660	0.8
117.06983	1.4
119.08609	6.3
121.10127	7.2
122.09690	1.0
123.09192	2.0
123.11675	1.8
124.09922	1.3
125.10746	3.9
131.08582	1.4
133.10101	5.1
135.11702	5.1
145.10095	1.3
147.11681	4.2
149.09586	1.3
149.13266	1.6
155.08626	0.8
159.11703	1.2
161.13231	1.7
163.12299	1.1
165.13898	0.9
169.01169	0.8
171.11726	1.2
173.11809	1.2
173.13144	1.1
177.13820	1.0
217.16951	1.0
237.16058	0.9
239.17532	1.2
277.21582	1.3
294.24316	8.7
320.24451	1.1
329.25723	3.5
347.26892	23.7
349.16440	0.9
362.25623	1.0
370.24289	1.1
371.26840	1.3
389.28006	1.6
414.28360	0.8
462.20456	1.3
472.42557	0.9
490.20074	8.9
591.22363	1.5
623.24890	4.7
623.48895	6.1
641.25946	9.5
641.38885	14.4
641.48749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
75.14250	0.3
80.94485	0.3
91.65044	0.3
103.47759	0.3
115.40403	0.3
122.53917	0.3
123.22469	0.4
141.49002	0.3
220.28241	0.4
262.08469	0.3
278.08112	0.5
290.08093	0.3
294.07687	0.6
306.07620	10.3
306.10962	0.4
318.07571	2.1
319.08450	1.5
320.05460	5.0
320.09137	2.3
321.09552	1.6
322.09808	1.3
334.07059	5.2
334.10788	4.1
335.07834	37.5
336.12494	0.4
350.10205	100.0
410.08408	0.3
486.80746	0.3
584.15552	0.5
598.16687	1.4
610.17047	0.4
612.14886	1.2
626.16370	1.7
642.18280	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38070	0.7
56.70712	0.7
64.12010	0.8
66.30442	0.8
69.03438	0.8
77.87662	0.9
83.05009	0.8
85.02956	1.1
109.06518	1.4
111.04468	0.8
117.07024	0.9
119.65273	1.0
122.03656	2.0
125.06004	3.6
128.06206	1.0
129.07018	8.5
131.04912	12.3
137.05968	100.0
140.41199	0.8
143.04947	3.6
145.06418	1.1
149.05977	1.1
151.03915	3.3
151.07550	1.5
153.05443	8.6
157.06482	22.4
160.05215	1.5
161.05989	2.0
163.07539	8.4
174.06786	5.2
175.07512	35.3
181.10278	0.9
185.05957	1.2
187.07523	33.2
189.09105	28.1
205.08611	4.5
217.08569	9.4
219.08133	1.4
231.07965	1.4
239.07008	1.1
247.07547	3.8
248.08125	1.2
250.44266	1.0
251.10730	1.7
259.07587	3.5
263.10648	5.3
270.08908	6.2
271.09647	3.5
276.07727	1.6
279.10162	8.7
283.09686	3.7
291.10132	14.0
292.10855	1.0
296.10406	1.3
300.73029	0.9
308.10352	1.4
311.12772	20.8
323.12762	15.0
329.13885	9.0
341.13812	40.6
359.14908	1.8
451.06042	0.8
493.29755	0.9
503.19006	1.2
546.30225	0.9
642.23077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38070	0.7
56.70712	0.7
64.12010	0.8
66.30442	0.8
69.03438	0.8
77.87662	0.9
83.05009	0.8
85.02956	1.1
109.06518	1.4
111.04468	0.8
117.07024	0.9
119.65273	1.0
122.03656	2.0
125.06004	3.6
128.06206	1.0
129.07018	8.5
131.04912	12.3
137.05968	100.0
140.41199	0.8
143.04947	3.6
145.06418	1.1
149.05977	1.1
151.03915	3.3
151.07550	1.5
153.05443	8.6
157.06482	22.4
160.05215	1.5
161.05989	2.0
163.07539	8.4
174.06786	5.2
175.07512	35.3
181.10278	0.9
185.05957	1.2
187.07523	33.2
189.09105	28.1
205.08611	4.5
217.08569	9.4
219.08133	1.4
231.07965	1.4
239.07008	1.1
247.07547	3.8
248.08125	1.2
250.44266	1.0
251.10730	1.7
259.07587	3.5
263.10648	5.3
270.08908	6.2
271.09647	3.5
276.07727	1.6
279.10162	8.7
283.09686	3.7
291.10132	14.0
292.10855	1.0
296.10406	1.3
300.73029	0.9
308.10352	1.4
311.12772	20.8
323.12762	15.0
329.13885	9.0
341.13812	40.6
359.14908	1.8
451.06042	0.8
493.29755	0.9
503.19006	1.2
546.30225	0.9
642.23077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	27.8
63.02413	2.2
65.03967	2.7
70.06594	1.8
70.32760	1.5
77.03951	1.3
85.02920	2.2
85.47302	1.5
86.09758	1.4
89.03952	1.8
91.05511	6.1
95.75678	1.8
105.59428	1.4
119.04959	1.6
130.06596	1.4
135.04475	1.8
139.03970	2.9
149.06036	1.9
160.07536	1.7
165.07079	1.7
180.82451	1.5
188.07152	5.5
207.08087	1.9
252.07947	2.5
263.07025	3.4
265.08609	1.8
279.06482	2.3
281.08038	43.6
282.08875	24.3
295.09711	2.7
296.10406	57.9
324.12350	2.3
375.12390	1.9
403.11774	10.7
642.25671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
51.33612	0.3
53.03960	0.3
54.02028	0.3
56.45380	0.3
58.06314	0.8
58.06607	24.9
61.02894	0.3
63.02398	0.3
65.03956	0.9
68.58997	0.4
69.03435	2.0
73.02914	0.4
77.03923	0.5
81.03444	0.7
82.45840	0.4
83.15162	0.3
85.02897	3.7
87.04460	0.6
89.03934	0.7
91.05489	1.9
94.25785	0.3
97.02897	1.7
99.04482	0.6
103.05504	0.4
104.40895	0.4
107.04967	0.5
111.04449	1.4
119.04936	0.8
127.03903	0.5
130.06580	0.4
135.04460	0.8
137.06024	0.4
139.03905	5.8
150.04579	0.5
152.06270	0.5
188.07085	2.9
188.56242	0.4
192.10164	3.1
207.08157	1.5
219.32283	0.4
235.07579	1.9
237.09180	0.9
238.06230	1.6
251.07053	0.5
252.07664	2.8
253.08624	0.6
263.07037	4.7
264.07834	0.8
265.08652	2.4
267.06583	2.0
267.10184	1.6
271.09760	0.4
277.08621	0.8
279.06595	3.1
281.08075	44.4
282.06155	0.5
282.08850	28.9
295.09665	2.8
296.10413	58.3
297.11163	3.0
299.12723	0.6
302.72604	0.4
307.92975	0.4
308.09497	0.5
311.09216	1.7
322.10736	2.6
375.12247	3.4
377.10675	0.4
385.10721	0.5
388.09567	0.8
403.11755	11.2
420.12131	2.3
422.14362	0.5
480.16702	0.5
597.19525	1.4
627.22455	0.5
642.25476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.2
61.02934	1.6
66.07735	1.1
69.03430	25.5
72.22514	1.1
78.06008	1.2
79.50066	1.3
80.43725	1.3
81.03418	2.3
85.02905	22.8
87.04467	23.1
91.03938	1.3
91.05491	5.0
97.02892	30.6
99.04433	2.3
100.78526	1.2
107.13046	1.2
115.03926	28.6
119.04951	3.1
121.06570	1.7
127.03889	5.7
133.04977	14.1
137.05988	6.5
145.04968	5.7
151.07532	100.0
161.05945	1.5
165.09152	11.4
169.08574	18.4
175.07500	2.9
179.07028	13.9
181.08653	1.8
184.29132	1.5
189.09129	6.4
193.08592	19.2
219.10242	1.8
227.68683	1.4
235.09763	2.8
247.09599	6.2
259.08008	1.8
265.10757	21.6
277.10770	2.2
295.09976	4.0
311.12756	1.6
325.11252	2.4
331.13809	6.2
548.71173	1.5
615.09125	1.8
642.23029	2.7
657.55231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	52.2
60.10508	0.9
63.73166	0.8
66.43786	0.9
71.50691	0.9
75.39525	1.1
91.05497	6.9
99.04467	1.1
103.05443	1.1
105.07040	11.0
109.07771	1.1
131.04938	9.0
157.06529	4.4
169.05072	1.5
179.03319	1.4
191.08530	1.4
195.08179	2.4
201.87195	1.1
213.09184	1.4
219.08125	2.3
222.06754	1.1
237.09067	10.6
241.08661	13.1
247.07675	1.8
265.08566	66.7
267.06580	1.7
279.10168	1.2
281.08060	3.7
282.08865	46.9
282.11887	1.8
283.09677	1.1
295.09613	1.5
296.10529	8.1
297.11197	65.2
309.11362	2.3
314.21439	1.1
320.09232	2.2
334.10803	5.8
336.12231	2.2
342.16977	44.4
384.32974	1.4
524.70154	1.5
624.25659	1.9
642.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16841	0.4
51.36267	0.4
51.39596	0.4
67.05509	0.8
81.03449	0.8
81.07065	2.0
93.07010	0.6
95.08617	0.9
114.96729	0.4
124.77229	0.4
189.07895	1.0
190.08655	2.5
203.10799	0.5
229.08765	2.3
231.10229	2.5
246.48863	0.5
257.08179	3.1
292.09796	3.0
304.09778	1.1
306.07687	1.8
320.09177	10.9
321.09940	11.3
334.10858	2.9
336.12283	56.6
342.09058	0.6
344.43558	0.5
348.12509	0.6
361.13196	0.7
364.15344	0.8
376.15598	3.0
388.15567	0.7
389.13107	0.5
404.14810	5.2
405.50104	0.5
407.22324	0.7
446.16177	0.6
449.23300	2.2
450.17340	0.5
642.30627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
55.05519	1.1
66.01796	0.9
69.03419	2.1
69.07075	1.1
71.04989	0.9
79.05505	6.6
81.03431	8.6
81.07059	1.8
85.02912	8.4
85.04583	0.8
86.57143	0.8
90.87337	0.8
91.05495	8.7
93.07041	41.0
95.04959	2.0
97.02890	5.1
99.04457	100.0
105.04456	1.0
105.07014	4.9
107.03590	0.8
107.04991	1.9
107.08596	49.6
109.02871	4.2
109.06480	1.0
109.10183	1.3
117.05485	6.3
118.96789	0.8
127.03897	5.1
133.06497	1.3
135.11693	28.7
137.82312	0.9
145.04977	1.2
161.05971	1.1
162.06277	1.3
163.07529	4.9
167.07079	7.2
181.08582	40.5
193.08479	1.0
195.10130	1.7
212.41333	1.0
213.11194	4.5
225.11180	14.7
243.08604	1.2
261.09644	8.7
304.05795	1.5
318.07562	1.6
319.08286	12.2
320.09143	9.9
334.10712	23.4
335.11038	1.2
336.12201	4.1
347.22177	1.2
389.47510	1.3
545.89642	1.1
570.14044	1.1
642.23291	1.4
642.31244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84290	2.4
55.05521	7.6
56.05040	7.4
56.59246	2.4
57.03450	5.2
57.07077	5.1
63.44853	2.8
66.20633	2.7
67.05511	15.5
69.07067	28.7
79.05504	16.0
81.07065	18.9
83.08648	26.1
83.09041	2.8
85.02905	5.1
86.06042	7.4
91.05508	4.0
93.07040	12.0
93.68958	3.0
94.06564	5.1
95.04965	6.5
95.08609	24.6
97.10168	18.4
106.06557	7.6
107.08555	11.3
109.10140	15.3
121.10169	7.3
122.06026	71.9
123.11711	4.1
126.11679	2.9
134.06012	4.7
135.11736	13.2
140.07071	38.0
140.10738	5.5
149.13217	6.7
152.07068	14.8
157.13341	6.4
170.08160	11.9
188.09181	82.8
206.10211	4.3
214.26079	3.4
220.03680	20.1
256.26263	3.8
274.27383	45.7
276.06418	5.0
290.26746	3.9
320.09256	12.7
336.12222	4.8
339.25058	4.7
339.28854	98.1
495.66568	3.5
540.30865	14.2
544.39673	3.6
558.31750	100.0
588.32684	17.2
606.33826	36.8
624.34955	27.5
642.36127	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.4
55.05523	25.0
57.03439	5.1
57.07072	26.3
60.08163	4.4
67.05493	59.2
67.75932	5.0
69.03438	39.0
69.07078	53.6
71.04986	9.0
71.08621	21.2
79.05507	24.1
81.03430	88.9
81.07079	76.8
83.04965	19.1
83.08620	47.8
85.02925	26.0
87.04455	5.9
91.05482	11.4
93.07034	41.4
95.08625	68.1
96.12569	5.0
97.02898	47.8
97.06518	6.9
97.10165	35.4
99.04472	43.3
107.08604	33.8
109.02905	55.8
109.10182	47.8
121.06522	6.1
121.10152	53.0
123.11705	10.4
125.09649	7.3
127.03955	23.0
133.10126	6.7
135.11697	29.4
143.76753	5.6
147.11552	5.0
149.13246	22.9
159.11586	6.7
161.13295	8.8
186.10614	8.4
213.30157	6.5
231.35381	5.8
247.24190	5.4
265.25247	31.9
277.21982	5.9
295.22519	6.0
305.24841	9.7
319.08411	10.1
320.09091	10.1
321.09857	20.7
322.10687	8.9
323.11450	27.2
334.10730	40.3
335.11188	6.9
336.12363	43.9
337.12546	33.7
338.13797	77.3
345.27969	6.4
353.52341	5.7
355.26202	6.9
373.27429	44.2
391.28400	93.6
409.29523	100.0
427.30447	61.6
553.66083	5.9
642.36743	31.8
642.46558	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36314	8.7
66.10726	7.7
67.05515	16.5
67.39201	8.2
73.02914	17.3
79.05494	12.3
93.07078	10.2
95.08568	13.1
99.04451	100.0
105.07077	9.3
106.01896	8.9
111.31281	7.9
118.83151	9.6
121.10132	8.4
185.53529	9.8
190.33630	9.0
228.65721	10.0
389.26758	14.2
390.97830	9.5
409.98996	8.6
450.77359	11.3
469.29300	13.7
487.30536	16.4
558.94757	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31279	1.4
52.07794	1.4
53.03954	8.1
53.38337	1.6
55.05524	3.0
64.52418	1.7
67.05512	10.8
67.48222	1.7
69.03434	7.4
69.07063	4.4
69.48201	1.6
71.04984	2.3
71.08662	1.6
73.02922	24.8
75.03441	1.6
79.05517	7.2
81.03423	13.8
81.07063	22.2
83.04994	2.1
83.08623	1.8
85.02911	2.8
87.04474	2.2
91.05485	3.9
91.90079	1.8
93.07044	9.4
93.98603	1.9
95.04964	2.3
95.08618	16.1
97.02920	14.5
99.04462	100.0
105.07020	3.5
107.08617	3.1
109.02929	1.7
109.10168	7.9
111.04491	2.7
111.08146	1.8
119.08590	7.2
121.10117	2.8
123.08105	2.2
123.11713	3.6
125.37453	1.7
127.03933	13.1
129.07039	2.0
131.08583	3.3
133.10152	3.8
141.05458	2.2
145.10178	3.3
147.11699	6.8
149.13251	2.3
161.13251	3.1
163.14804	2.2
175.19360	1.9
243.08621	24.3
263.23749	4.0
305.84488	1.7
343.25696	1.8
371.25620	13.9
389.26813	11.7
407.28082	6.8
427.29108	2.0
469.29419	15.0
487.30658	30.1
503.62518	2.2
505.31531	19.5
666.92767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33158	3.3
53.03962	4.3
55.05515	4.9
55.64286	3.4
62.19392	3.8
63.78668	3.9
67.05511	28.5
69.07079	8.9
70.20168	3.8
73.02921	21.7
79.05489	11.1
81.03438	10.9
81.07055	37.1
83.08587	6.2
93.07041	23.0
95.08601	32.4
99.04454	100.0
100.43839	4.9
103.88025	3.9
107.08640	8.7
109.02915	4.7
109.10173	17.3
119.08597	6.8
121.10140	7.4
123.11701	7.5
127.03894	7.5
147.11699	5.3
148.28583	4.9
159.11766	5.2
279.23273	7.8
320.08975	7.6
321.09833	9.4
323.11621	5.4
336.12198	69.9
337.12521	6.4
338.13644	21.1
371.25735	9.2
389.26849	10.6
462.16553	5.0
469.29144	9.9
487.30396	17.5
505.31369	27.5
542.48865	5.3
639.38403	5.7
642.38501	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05032	1.8
57.07079	0.7
67.05503	1.4
69.07061	2.0
70.06579	0.9
72.14773	0.3
77.17445	0.3
80.18516	0.3
81.07050	1.6
83.08607	0.7
84.08114	0.3
85.10131	0.4
88.07622	2.5
88.43263	0.3
93.77648	0.4
95.08607	1.7
96.64422	0.4
97.10143	0.7
106.08649	2.3
109.10169	3.0
110.72794	0.3
122.06023	2.1
129.63213	0.3
135.11691	0.8
137.09607	0.7
140.07086	0.5
153.12697	0.6
153.13855	1.9
154.12263	27.8
168.13789	1.3
171.14932	10.4
182.15398	10.1
184.17232	0.4
188.09186	2.5
196.16991	7.5
198.14999	0.8
199.17972	2.4
200.16362	0.4
201.84526	0.3
213.19542	0.5
241.40974	0.4
256.26315	4.3
274.27383	100.0
281.68463	0.4
320.09210	0.5
333.25201	2.4
334.23718	1.8
336.12234	1.5
339.28876	2.6
351.26495	2.4
352.15311	1.4
352.24719	0.4
364.11432	0.5
369.22809	0.6
369.27451	12.8
500.20300	2.6
528.20209	0.7
544.23303	0.5
558.32367	2.4
606.33826	0.4
642.30182	6.8
642.54010	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99135	0.4
56.05046	0.7
56.79720	0.4
57.07066	0.4
67.05500	1.0
69.07062	0.7
70.06583	0.6
71.08645	0.6
81.07055	1.0
81.84073	0.5
83.08617	0.7
88.07621	2.9
95.08604	0.7
102.09146	0.8
106.08643	2.5
106.92905	0.4
108.98496	0.5
109.10123	3.5
111.11693	0.7
120.36592	0.5
135.11693	0.9
137.09642	0.6
153.13940	0.8
154.12265	31.3
168.13824	1.1
171.14911	13.7
182.15410	10.4
196.16972	5.6
198.14885	0.8
199.18008	2.1
213.19444	0.5
213.69363	0.5
256.26334	4.3
258.32935	0.6
274.27386	100.0
318.29529	0.5
320.09116	1.6
333.25427	2.6
334.23630	0.8
336.12387	1.2
351.26291	2.8
369.27426	13.4
401.12195	0.5
406.04480	0.6
642.32336	0.7
642.54230	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30956	0.2
68.63461	0.2
77.10813	0.2
80.56532	0.3
92.80672	0.3
177.43942	0.3
195.52763	0.3
250.08701	0.4
279.08902	1.6
280.09598	0.5
294.07602	3.9
294.11267	1.5
298.50696	0.3
307.08365	14.5
308.09259	0.7
319.08359	0.5
320.09213	0.5
322.07037	30.9
322.10727	100.0
334.10693	0.3
439.63882	0.3
440.41577	0.3
643.20551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70731	0.3
57.03427	0.4
57.12026	0.3
60.16215	0.3
62.07076	0.3
64.76939	0.3
69.03426	1.7
69.93053	0.3
81.03405	0.5
85.02903	2.0
89.11008	0.3
95.71190	0.3
98.72549	0.3
99.04488	0.5
127.03914	1.4
145.04860	0.4
167.52689	0.4
205.06583	0.5
216.37350	0.4
219.08109	0.8
233.05959	1.7
234.06921	0.5
237.09193	0.7
248.77206	0.4
250.06261	4.4
251.07150	0.4
263.06973	0.6
265.08591	9.8
291.06573	1.7
293.07983	4.4
297.11163	0.5
309.07614	0.7
310.08185	0.4
318.07678	0.5
319.08539	1.5
320.09155	3.9
321.09631	0.6
323.09137	0.8
325.10751	2.0
334.10672	3.0
335.11206	0.5
336.12363	2.1
337.07202	1.9
337.12714	0.4
351.08609	6.6
353.10278	0.6
369.09689	5.5
397.09134	8.9
530.90869	0.4
539.34796	0.4
570.13983	0.4
571.14325	0.5
591.01654	0.4
599.14587	8.3
600.14978	0.7
603.96594	0.4
613.15143	0.7
615.17651	4.5
627.13953	31.3
628.14838	4.1
643.17035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81146	0.7
59.59611	0.8
60.33528	0.9
62.09632	0.9
74.85288	1.0
78.38625	0.7
80.15676	0.9
92.21597	1.1
209.86591	1.1
212.71474	0.9
218.34319	0.9
271.67041	1.1
296.44968	1.1
320.09067	1.3
336.12274	4.0
491.12265	1.4
600.15021	1.2
611.14398	1.3
613.12384	12.9
627.14032	24.0
628.14703	83.5
643.17090	100.0
643.30963	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14020	0.6
66.35630	0.6
70.98279	0.7
92.21520	1.5
98.58607	0.6
99.25972	0.6
120.93515	0.8
130.76093	0.6
177.05392	1.0
273.70447	0.9
290.08282	0.9
292.09592	0.8
298.44336	0.7
318.07678	3.1
319.08554	6.6
320.09161	11.2
321.09784	6.3
322.10602	1.2
334.10754	12.6
335.11328	1.5
336.12192	16.0
337.12607	4.1
570.14087	1.0
571.14478	0.9
585.13019	1.1
599.14526	9.7
600.15112	1.2
611.15314	0.8
615.17389	1.4
627.13983	35.1
628.14618	5.4
643.17029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46344	0.9
74.94634	0.9
109.41136	0.9
151.29085	1.0
183.33136	0.9
263.09476	1.2
275.09302	2.3
276.10254	5.1
291.08853	1.5
304.09631	21.1
306.07645	4.3
307.08423	4.3
319.08392	1.6
320.09213	11.0
321.09833	5.2
322.10294	1.3
334.10822	6.1
335.10944	1.8
336.12271	17.4
337.12482	8.7
338.05750	1.0
348.12253	2.0
467.65155	1.1
545.27661	1.1
583.15021	1.2
611.14215	4.3
615.17462	4.9
627.14081	5.2
643.16998	100.0
643.32599	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55948	1.2
64.73795	1.2
67.19695	1.3
71.51395	1.4
97.68057	1.6
108.47027	1.4
150.03661	1.6
163.66026	1.6
167.07056	2.8
181.04955	1.6
188.88322	1.5
191.38579	1.9
207.91293	1.8
236.97354	1.4
264.87192	1.7
276.50363	1.7
292.09299	1.6
300.99182	1.8
303.88126	1.7
304.06110	1.8
319.08185	7.3
320.09113	23.0
321.09567	3.6
334.10837	25.0
335.10992	2.3
336.12262	16.6
337.12854	2.2
352.15182	3.3
454.09128	3.5
582.13214	2.1
583.13580	1.9
585.12823	2.0
597.12390	6.4
598.12622	2.2
599.14014	8.6
612.14874	8.6
613.12024	2.1
627.14313	13.9
628.14545	6.5
630.33167	1.9
643.16901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54502	0.5
54.56606	0.5
57.14129	0.5
57.77763	0.5
58.57229	0.6
65.91213	0.5
79.28372	0.6
81.60089	0.5
83.04968	0.6
114.17890	0.5
188.13780	0.7
225.98602	0.7
292.09903	0.7
297.29297	0.6
319.08420	4.9
320.09055	6.7
321.09778	3.6
334.10681	7.6
335.11115	4.3
336.12292	6.1
337.12643	1.4
566.12891	0.7
585.13019	0.9
599.14478	6.0
600.14154	2.7
615.17767	3.6
627.03558	1.0
627.13922	25.2
628.14532	7.9
643.17078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28808	1.0
71.90762	1.3
96.25232	1.3
106.87118	1.3
137.58722	1.2
188.35945	1.2
220.99409	1.3
224.71901	1.2
251.16226	1.3
319.08398	8.0
320.09036	11.4
321.09924	2.5
334.10797	12.1
335.11166	5.9
336.12091	10.1
337.12637	5.4
416.44897	1.4
491.12677	13.4
515.12000	2.0
553.14136	6.0
554.14630	2.4
569.13452	1.6
570.13873	1.6
582.14221	16.2
585.12592	10.9
599.14551	12.4
610.13464	1.9
611.14374	1.7
613.13306	5.7
627.13867	32.2
628.15106	2.4
643.17084	100.0
643.30347	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37568	0.8
68.02698	0.8
85.02882	1.5
98.74992	0.8
99.04437	1.0
150.81947	0.9
170.99132	1.1
307.08139	1.1
318.07455	1.3
319.08331	1.9
320.09161	10.3
321.09637	1.4
334.10730	8.1
335.11154	1.6
336.08395	1.6
336.12399	5.0
337.12701	1.0
349.79065	1.0
350.10162	3.5
351.10345	4.4
401.83316	1.0
599.14276	8.7
600.15820	1.4
615.17468	4.1
627.13904	31.2
628.14954	2.0
643.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55948	1.2
64.73795	1.2
67.19695	1.3
71.51395	1.4
97.68057	1.6
108.47027	1.4
150.03661	1.6
163.66026	1.6
167.07056	2.8
181.04955	1.6
188.88322	1.5
191.38579	1.9
207.91293	1.8
236.97354	1.4
264.87192	1.7
276.50363	1.7
292.09299	1.6
300.99182	1.8
303.88126	1.7
304.06110	1.8
319.08185	7.3
320.09113	23.0
321.09567	3.6
334.10837	25.0
335.10992	2.3
336.12262	16.6
337.12854	2.2
352.15182	3.3
454.09128	3.5
582.13214	2.1
583.13580	1.9
585.12823	2.0
597.12390	6.4
598.12622	2.2
599.14014	8.6
612.14874	8.6
613.12024	2.1
627.14313	13.9
628.14545	6.5
630.33167	1.9
643.16901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46411	0.5
100.82887	0.7
104.26907	0.6
160.00075	0.7
167.07141	2.1
181.04988	0.8
258.62173	0.6
290.08130	0.7
292.09769	0.9
307.08722	0.6
318.07507	1.0
319.08325	5.3
320.09113	8.3
321.09518	1.3
334.10706	12.7
335.11081	1.3
336.12277	10.8
337.12790	1.4
352.15381	3.3
426.09921	0.9
454.09143	3.0
463.12869	0.9
491.12167	0.7
513.14703	1.0
525.14093	0.9
553.13690	2.6
554.14252	3.0
557.13245	0.9
569.13708	1.4
571.14624	2.5
581.13214	1.1
582.13947	3.0
583.14679	1.2
585.12927	3.0
597.12958	4.5
598.12402	2.9
599.14526	6.5
600.14233	1.2
610.13574	2.6
611.14703	3.4
612.15088	10.9
613.12616	3.0
615.17310	1.0
627.14081	15.7
628.14899	3.4
643.17023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77815	0.3
65.81462	0.3
73.91811	0.4
75.21985	0.3
87.69751	0.4
99.04408	0.8
102.68252	0.4
107.04969	0.4
137.05943	0.6
175.03812	1.7
181.05000	0.4
207.06517	5.8
220.90604	0.4
225.87587	0.4
276.40179	0.4
281.10217	0.4
290.08115	11.7
302.07922	3.0
304.06052	8.7
318.07629	13.6
319.08398	61.6
323.12601	0.8
334.10727	100.0
643.19214	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77815	0.3
65.81462	0.3
73.91811	0.4
75.21985	0.3
87.69751	0.4
99.04408	0.8
102.68252	0.4
107.04969	0.4
137.05943	0.6
175.03812	1.7
181.05000	0.4
207.06517	5.8
220.90604	0.4
225.87587	0.4
276.40179	0.4
281.10217	0.4
290.08115	11.7
302.07922	3.0
304.06052	8.7
318.07629	13.6
319.08398	61.6
323.12601	0.8
334.10727	100.0
643.19214	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98065	0.5
53.83945	0.5
59.75056	0.6
60.15471	0.5
70.50918	0.6
72.10148	0.6
110.91184	0.6
123.55077	0.6
127.88280	0.6
128.80360	0.7
141.63670	0.5
153.63124	0.7
290.08139	1.2
292.09595	7.7
308.12793	1.2
318.07690	1.1
319.08389	3.4
320.09149	100.0
321.09848	6.9
322.10590	0.7
334.10846	6.7
335.11087	0.9
336.12277	71.3
337.12650	1.1
553.12561	0.9
605.51617	0.7
627.13464	1.2
643.19922	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87871	0.6
67.05515	0.9
70.06857	0.7
79.05478	1.7
81.07030	4.5
93.07000	1.6
95.08585	0.7
105.06990	0.8
107.08569	1.7
109.06497	1.6
109.10049	0.9
119.08501	1.4
123.08067	0.7
262.35678	0.8
266.99347	0.8
297.12070	1.2
320.08881	0.9
321.09708	3.2
322.10123	3.8
323.10983	0.9
329.11783	0.8
331.13120	1.4
336.12274	12.1
337.12640	12.0
353.15747	1.0
367.17422	1.4
425.19504	3.7
438.20584	8.9
439.21463	7.0
440.21747	1.3
451.21283	1.1
453.22153	1.3
467.24649	0.8
469.18719	16.6
470.19254	1.7
483.20273	17.9
484.20563	4.3
493.18491	1.2
495.23657	1.7
497.21658	1.5
506.19501	1.1
509.18130	1.6
510.21808	1.2
511.23416	22.0
512.23657	3.7
521.21948	14.6
527.18677	4.9
539.22864	6.5
541.20740	6.7
555.22168	6.7
556.23273	9.9
565.20264	4.5
583.21185	2.9
618.20593	0.9
625.22632	3.0
625.45190	1.5
643.23108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
57.27105	0.5
69.03428	1.0
79.55162	0.6
81.03418	2.8
85.02924	1.4
91.05495	0.9
92.21536	0.8
97.02882	1.0
97.82207	0.7
99.04459	18.0
109.02937	0.9
119.04927	7.9
147.04439	9.0
161.05951	1.2
163.03902	1.1
175.03891	47.7
191.07013	1.0
192.04222	5.5
205.05009	2.8
207.06517	100.0
213.08955	1.0
220.69347	0.7
223.06059	6.6
225.07578	10.4
236.17577	0.7
241.08507	1.3
249.07538	6.2
259.09744	1.1
281.10144	11.4
290.08078	0.8
292.74124	0.8
299.11310	14.6
315.03543	0.8
319.08389	3.8
323.12512	0.8
334.10767	4.8
365.15805	3.7
383.16934	8.6
517.22260	0.8
671.34589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
63.85987	1.0
69.03432	1.7
81.03407	2.7
85.02898	2.3
88.40760	1.1
92.21487	1.7
99.04459	34.9
109.02891	1.4
119.04951	8.1
123.04343	1.4
137.05974	1.4
147.04388	11.4
155.07059	1.3
167.07005	1.9
173.05922	1.2
175.02618	1.8
175.03893	47.8
177.05432	1.8
181.04958	1.5
191.07059	2.0
192.04176	5.1
193.04941	2.4
197.19977	1.3
205.04976	1.6
205.08539	1.4
207.06514	100.0
222.17403	1.3
225.07539	7.0
249.07625	13.2
281.10187	20.8
297.07437	1.3
299.11130	5.9
304.06174	1.6
305.06119	1.4
318.07843	1.5
319.08270	13.8
320.08893	13.0
334.10712	20.9
335.11084	20.8
336.12094	2.8
365.15857	2.6
370.17404	4.4
383.17096	4.8
389.12247	2.4
437.56357	1.2
481.13641	2.0
487.15842	2.3
643.23956	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
63.85987	1.0
69.03432	1.7
81.03407	2.7
85.02898	2.3
88.40760	1.1
92.21487	1.7
99.04459	34.9
109.02891	1.4
119.04951	8.1
123.04343	1.4
137.05974	1.4
147.04388	11.4
155.07059	1.3
167.07005	1.9
173.05922	1.2
175.02618	1.8
175.03893	47.8
177.05432	1.8
181.04958	1.5
191.07059	2.0
192.04176	5.1
193.04941	2.4
197.19977	1.3
205.04976	1.6
205.08539	1.4
207.06514	100.0
222.17403	1.3
225.07539	7.0
249.07625	13.2
281.10187	20.8
297.07437	1.3
299.11130	5.9
304.06174	1.6
305.06119	1.4
318.07843	1.5
319.08270	13.8
320.08893	13.0
334.10712	20.9
335.11084	20.8
336.12094	2.8
365.15857	2.6
370.17404	4.4
383.17096	4.8
389.12247	2.4
437.56357	1.2
481.13641	2.0
487.15842	2.3
643.23956	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80039	1.5
72.19827	1.4
79.05504	1.9
81.07075	2.3
90.05626	1.5
93.07058	1.5
107.07077	1.3
107.08569	1.7
121.10178	1.4
127.08754	1.6
174.11391	1.8
190.05069	2.6
237.13361	1.9
253.12918	6.1
255.14420	3.1
271.14056	2.9
291.14310	5.8
292.09604	3.1
293.10086	2.6
293.15894	2.7
297.15417	1.8
300.68427	1.5
302.59708	1.7
306.07867	1.5
309.15445	5.8
315.18188	3.7
320.09024	3.0
321.09912	19.5
322.10306	13.1
333.19058	12.2
333.36081	1.6
334.10587	3.0
336.12277	45.6
337.12628	44.0
351.20187	14.3
362.53046	1.6
447.46881	1.9
449.19308	1.9
459.22168	2.6
477.22595	8.5
489.22806	3.2
495.23846	2.5
506.22940	2.9
509.22073	3.5
510.22845	5.9
511.23315	2.6
519.23969	3.0
523.23517	2.7
533.21741	5.8
537.25000	3.6
542.13794	1.9
545.33575	1.9
549.25220	2.6
551.22925	1.7
565.24475	18.2
576.00580	1.8
583.25183	2.4
584.25812	3.0
585.35541	2.4
593.23914	6.3
625.26428	9.3
643.27563	100.0
643.40472	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24340	0.7
67.05512	1.0
74.79443	0.8
81.07046	1.1
82.75604	0.8
91.32217	0.8
93.07043	1.1
95.08638	1.0
95.43678	0.9
107.08612	0.9
108.74809	0.8
145.46780	0.7
145.63394	1.0
222.41084	0.9
292.09631	1.3
303.07916	0.9
320.08969	4.9
321.09888	10.6
322.10410	7.7
334.10791	3.4
335.11264	3.4
335.25723	1.0
336.12292	23.6
337.12610	23.2
449.19699	1.1
450.20029	1.0
459.21426	1.2
461.19156	1.6
462.20432	1.3
477.22626	5.3
479.24295	1.4
506.22464	1.3
509.21301	2.0
510.22342	2.1
511.23737	1.1
519.23822	4.3
523.23138	4.3
525.24640	1.0
533.21460	3.8
537.24854	4.3
549.25043	2.1
551.22992	3.1
553.24445	1.8
555.25592	1.7
565.24829	6.2
583.25122	5.3
584.25995	2.1
593.23407	4.1
597.27625	1.2
625.26373	3.5
643.27740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05603	5.3
53.03957	8.3
55.05513	9.8
57.07071	12.0
62.05781	5.2
65.59704	5.7
67.05505	31.9
69.07071	31.4
71.08601	6.1
73.02907	10.1
78.61789	6.3
79.05477	8.8
80.22478	6.1
81.03412	13.9
81.07053	58.2
83.08616	12.1
85.06094	6.4
85.06532	68.8
91.05460	7.6
93.07028	13.7
95.08610	48.0
98.23702	6.8
99.04452	100.0
105.07034	11.8
107.08565	12.2
109.03075	7.1
109.10172	25.7
121.10128	13.0
127.03903	8.2
131.08549	13.2
132.10173	6.9
133.10136	11.4
135.11758	8.4
141.05426	9.7
145.10107	7.6
320.09265	11.0
336.12326	28.4
337.12622	14.1
338.13715	10.7
371.25848	10.2
389.26776	8.3
394.33987	8.9
469.29773	15.3
487.30707	10.5
505.31909	10.2
639.75873	7.9
643.37677	36.2
643.52802	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
53.13459	1.2
55.05513	3.4
57.07081	2.6
67.05502	11.8
69.03413	2.8
69.07060	8.9
71.04980	1.4
73.02908	15.0
79.05490	2.8
81.03427	18.0
81.07066	19.6
83.08616	8.3
85.02898	9.7
87.04482	1.4
91.05477	3.1
93.07044	7.2
95.04971	5.4
95.08614	13.8
97.02899	1.7
97.06516	1.5
97.10135	4.7
99.04454	100.0
105.07047	3.2
107.08600	9.3
109.02878	36.7
109.06499	1.6
109.10127	11.2
111.04443	3.5
119.08573	3.2
121.10166	7.1
127.03938	13.2
131.08549	3.1
133.10110	3.4
135.11703	6.7
141.05475	8.8
145.10152	2.7
147.11673	2.5
149.05949	2.0
149.13286	1.9
159.11591	1.7
210.27640	1.5
225.07570	1.9
243.08641	18.9
274.27438	2.0
281.24780	2.8
320.09027	16.9
321.09723	2.4
336.12216	1.8
337.12561	3.2
371.25885	13.5
389.26840	20.6
407.27869	2.9
425.28912	2.1
428.21140	1.6
477.49969	1.5
487.30478	10.7
505.31793	11.3
523.32416	7.2
541.33508	1.8
643.30115	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
57.07079	1.4
60.05113	1.1
67.05502	7.4
69.03424	2.6
69.07056	1.6
71.04977	1.0
71.51036	1.0
73.40662	1.1
79.05460	1.7
81.03416	11.0
81.07067	7.7
83.08607	5.0
85.02898	5.3
85.06541	66.8
90.26337	1.3
91.88312	1.1
93.07019	2.0
95.08593	7.0
96.21648	1.2
97.02888	5.5
97.10168	1.8
99.04453	100.0
104.22835	1.3
107.08599	5.1
109.10165	2.1
111.54352	1.3
117.05499	9.1
127.03943	1.9
133.10210	1.5
153.82881	1.4
173.86459	1.2
183.00581	1.5
261.09601	2.4
263.23691	2.6
270.44766	1.1
320.09164	1.5
338.13684	1.5
339.14188	1.6
365.30695	4.8
602.93958	1.4
639.90826	1.4
643.53235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85871	0.2
75.05055	0.2
83.17023	0.2
117.93748	0.2
126.04044	0.2
160.03984	0.9
165.05461	6.5
177.28192	0.2
178.04977	23.0
206.04407	2.5
211.96040	0.2
223.07562	0.2
263.05911	0.5
264.06467	0.5
265.07361	0.5
278.08133	2.3
280.06055	1.3
280.09427	0.4
281.06790	0.4
291.05170	0.9
292.05948	1.2
296.05576	0.4
306.07571	4.3
308.05438	2.3
308.09045	0.8
309.06256	1.4
318.07239	0.3
319.04773	1.6
319.08328	0.6
320.05545	0.4
320.09131	0.4
323.07739	0.3
324.08603	0.4
334.07092	6.0
334.10718	0.8
335.07828	1.4
336.04941	1.0
336.12277	0.5
337.05814	6.3
338.06406	0.4
350.10226	2.8
352.08127	100.0
370.09189	44.5
406.62067	0.3
644.15997	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42802	0.3
72.55986	0.4
117.97712	0.4
140.46410	0.4
154.69759	0.5
161.36934	0.5
191.89716	0.5
225.37399	0.4
290.08084	11.5
295.94208	0.4
302.08124	2.7
304.06006	10.1
318.07590	15.3
319.08380	57.8
320.08896	0.5
334.10709	100.0
335.10812	0.6
416.27814	0.5
644.17450	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74136	0.3
60.02113	0.4
76.61055	0.4
78.87634	0.3
89.15186	0.4
89.54987	0.4
93.07817	0.4
99.04444	0.5
100.35242	0.4
100.40913	0.4
111.12727	0.4
124.48917	0.5
160.38095	0.5
175.03979	1.7
187.66551	0.4
191.82393	0.4
207.06627	3.0
208.06830	0.8
219.06494	0.6
226.79332	0.4
264.83813	0.4
265.06970	0.5
272.45703	0.4
290.08081	12.3
302.08020	4.3
304.06012	11.8
318.07599	17.2
318.11142	0.9
319.08380	65.0
320.08853	3.9
334.10727	100.0
335.11069	6.4
336.12460	0.5
644.17590	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57132	0.5
65.47879	0.5
72.34509	0.4
77.87462	0.5
87.75784	0.5
92.20876	0.7
138.27379	0.5
249.11212	0.7
290.08139	13.5
293.74045	0.8
302.08099	5.2
304.06061	13.0
312.85666	0.5
318.07596	19.1
319.08389	67.4
320.09155	2.2
334.10718	100.0
335.11218	0.9
404.11246	0.6
644.17480	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04454	0.4
160.03928	0.9
161.06009	0.5
167.06999	1.0
168.07332	0.6
176.06996	0.5
178.04996	21.6
181.04924	0.7
199.14754	0.5
206.04530	1.0
252.06512	0.5
265.07327	0.6
278.08157	2.8
280.06052	0.7
291.05338	1.0
292.06006	2.0
292.09222	0.5
306.07681	3.5
308.05557	3.6
308.08887	0.8
309.06241	0.8
319.04910	0.9
320.09122	4.3
334.07037	4.5
334.10895	1.9
336.04724	0.6
336.12112	2.1
337.05701	7.1
352.08145	100.0
384.10748	47.8
401.28943	0.5
451.04306	0.6
490.13062	0.6
536.17035	0.8
593.92078	0.6
629.68750	0.5
644.19501	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72937	0.3
85.09430	0.4
99.04449	5.3
137.49370	0.4
146.30530	0.4
147.04346	1.0
175.03874	4.5
176.04182	2.6
192.04028	0.6
207.06512	9.0
208.06862	4.6
249.07535	0.8
250.07829	0.6
274.31165	0.5
281.10114	1.7
282.10492	1.0
290.08066	10.9
302.07913	3.0
304.06009	9.3
306.97827	0.5
318.07590	14.2
319.08356	61.2
320.09119	0.9
334.10684	100.0
335.10983	0.6
392.65689	0.5
457.38495	0.5
644.21259	36.4
649.19318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81931	0.4
64.98604	0.4
70.05219	0.4
92.21525	0.9
167.06987	0.5
168.72655	0.5
175.18085	0.5
290.08102	11.7
292.09805	0.6
302.07794	3.7
304.06003	9.3
318.07578	13.8
319.08368	58.7
320.08994	2.0
334.10712	100.0
335.11368	0.8
336.12378	1.2
409.66074	0.7
455.81714	0.6
585.18195	0.7
644.21289	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80661	0.3
58.35221	0.4
65.18727	0.3
69.30220	0.3
99.04382	0.5
130.76688	0.4
134.72157	0.4
147.04350	0.5
175.03859	1.6
207.06488	5.1
208.06825	2.4
208.08665	0.4
249.07568	0.7
260.60745	0.5
276.06503	0.7
281.10077	1.0
282.10519	0.6
290.08105	11.4
302.08105	3.0
304.06003	11.5
318.07587	14.9
319.08383	60.6
320.09113	2.1
334.10718	100.0
335.11050	0.6
336.12128	1.1
644.21301	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81931	0.4
64.98604	0.4
70.05219	0.4
92.21525	0.9
167.06987	0.5
168.72655	0.5
175.18085	0.5
290.08102	11.7
292.09805	0.6
302.07794	3.7
304.06003	9.3
318.07578	13.8
319.08368	58.7
320.08994	2.0
334.10712	100.0
335.11368	0.8
336.12378	1.2
409.66074	0.7
455.81714	0.6
585.18195	0.7
644.21289	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72937	0.3
85.09430	0.4
99.04449	5.3
137.49370	0.4
146.30530	0.4
147.04346	1.0
175.03874	4.5
176.04182	2.6
192.04028	0.6
207.06512	9.0
208.06862	4.6
249.07535	0.8
250.07829	0.6
274.31165	0.5
281.10114	1.7
282.10492	1.0
290.08066	10.9
302.07913	3.0
304.06009	9.3
306.97827	0.5
318.07590	14.2
319.08356	61.2
320.09119	0.9
334.10684	100.0
335.10983	0.6
392.65689	0.5
457.38495	0.5
644.21259	36.4
649.19318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30880	0.7
63.99551	0.7
64.75274	0.6
69.03439	1.2
72.72128	0.7
73.02921	0.8
74.08166	0.7
81.03414	1.9
83.49506	0.8
85.02918	5.1
85.11805	0.8
89.03913	0.8
91.05470	3.3
97.02885	1.1
99.04468	0.9
117.03392	3.8
119.04935	5.4
121.06517	2.0
123.04456	1.2
127.03930	3.3
134.03590	1.2
136.17172	0.9
140.03726	0.9
140.04674	6.1
145.02808	8.7
147.04408	6.8
149.06012	7.2
151.07562	0.9
155.07025	17.2
162.03136	3.8
163.03934	3.4
166.06242	1.5
167.07074	4.1
168.07779	1.4
173.05850	1.1
175.03894	19.9
177.05464	58.2
179.07068	6.8
181.04930	2.0
181.08580	14.4
183.06622	1.0
190.02647	4.2
191.07013	7.9
192.07816	3.5
193.08603	2.0
194.09427	3.5
195.06580	1.4
195.10201	1.7
196.10973	5.2
205.04967	100.0
206.09401	6.3
207.06537	28.8
209.08055	1.7
223.06004	16.7
223.09654	3.2
224.10435	11.9
240.13885	0.9
261.07617	1.1
296.04327	1.0
308.10327	0.9
322.07706	0.8
334.10880	5.9
351.12271	1.4
381.13229	1.7
385.11282	30.2
397.12811	9.7
399.14423	13.5
401.16315	1.2
411.14581	6.6
429.15582	6.4
559.18243	6.0
577.19012	11.4
596.44995	0.8
609.22662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01480	0.9
57.27145	0.8
69.07054	1.8
81.07056	1.1
84.03860	1.1
87.25566	1.2
151.33749	1.1
168.75552	1.0
174.05525	1.8
378.75977	1.2
441.12070	1.3
453.12433	1.8
463.10574	1.9
466.12988	5.8
476.10721	1.5
478.12399	8.1
488.14917	2.2
490.12396	8.6
491.13626	1.8
492.14545	9.5
504.14120	10.8
506.15921	25.3
507.16763	1.6
518.16254	2.3
520.17413	10.1
560.20587	2.2
614.25580	1.7
644.30060	100.0
644.45728	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04248	1.0
52.97310	1.2
57.03430	8.3
58.06599	1.1
59.05021	1.0
61.02922	1.4
62.89520	1.0
67.05503	3.2
69.03433	35.0
69.07067	1.2
73.02901	1.3
79.05495	1.3
80.74389	1.3
81.03430	1.7
81.07059	5.1
82.36622	1.1
83.08637	1.5
85.02905	58.1
87.04470	36.1
91.05510	4.6
93.07042	73.2
95.08606	11.5
97.02895	51.6
97.06510	1.6
99.04430	3.1
103.03975	2.5
107.08598	20.1
109.02877	5.2
109.10151	100.0
115.03089	1.8
115.03921	54.8
115.04686	2.7
125.13208	1.9
127.03931	14.0
133.04965	34.4
133.10233	1.3
135.11693	94.6
145.04964	16.8
150.07675	2.0
151.11134	2.5
153.11485	2.2
153.12732	61.5
163.06009	5.1
169.12167	2.7
201.44888	1.1
215.40530	1.3
259.08124	8.4
261.04135	1.4
267.15964	15.0
277.09155	1.4
279.15738	2.8
285.16928	2.8
295.10208	25.8
297.16953	55.6
313.86053	1.3
314.13940	2.7
315.17935	28.0
325.11282	14.8
333.18982	5.9
429.21158	3.0
447.22049	2.7
498.29022	1.6
644.22345	2.3
652.76099	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29420	0.7
73.23495	0.5
73.38734	0.6
80.68932	0.6
81.03416	0.6
83.29176	0.6
110.51378	0.6
117.49727	0.6
123.75841	0.6
130.60518	0.6
190.04977	0.7
232.71471	0.6
272.24908	0.7
292.09680	1.3
306.07623	1.0
308.09372	1.3
308.12720	11.1
318.07535	1.0
319.08350	2.5
320.09140	8.9
320.12872	2.9
321.09906	4.1
322.10706	9.3
323.11465	0.9
328.09009	0.7
334.10730	12.5
335.07977	1.5
336.09180	1.1
336.12283	31.1
337.13065	37.9
338.13541	0.9
349.16693	1.0
350.10260	2.6
352.15436	100.0
406.20087	0.8
644.35168	72.1
674.55377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37460	0.4
60.85983	0.3
66.94218	0.4
183.68936	0.6
186.21289	0.5
202.51936	0.5
272.07849	0.4
286.64597	0.5
301.84286	0.5
308.09308	0.7
308.12732	9.6
319.08353	0.8
320.09225	1.0
320.12741	1.8
321.09866	2.4
322.10733	5.0
334.10733	1.5
336.12317	22.5
337.13046	35.6
350.10229	0.6
352.08200	2.8
352.15421	100.0
644.36060	62.6
665.60638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31308	0.6
57.14690	0.6
57.37465	0.6
68.13076	0.6
68.30244	0.5
79.05520	0.9
81.07047	1.0
82.92624	0.5
95.08620	0.8
107.08601	0.7
118.22481	0.7
121.10052	0.6
133.10159	0.7
145.88936	0.7
159.63776	0.7
186.46112	0.7
194.69388	0.6
195.60347	0.7
219.96501	0.6
224.89352	0.6
231.10132	2.7
239.29887	0.6
269.82706	0.7
292.09662	1.2
308.12790	11.9
317.67081	0.7
319.08234	1.0
320.09100	4.9
320.12540	1.6
321.10007	10.0
322.10779	6.3
324.08685	0.8
334.10645	0.8
336.12265	46.4
337.13034	40.7
338.12930	2.8
339.07352	2.2
349.17035	0.9
350.24594	0.7
352.08179	6.4
352.15408	100.0
644.35681	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98161	0.4
56.18391	0.5
57.12302	0.4
59.94822	0.5
62.62903	0.6
66.04567	0.5
77.65318	0.6
78.43465	0.5
79.82545	0.4
241.09825	0.5
242.24831	1.3
290.26941	8.4
292.09460	0.8
308.09464	1.1
308.12759	13.9
319.08383	3.8
320.09106	4.1
320.12827	2.4
321.10028	2.7
322.10794	6.9
334.10574	12.1
335.07861	1.0
336.12289	23.7
337.13058	34.4
350.10196	1.2
352.15408	100.0
406.20422	0.9
428.18515	0.7
509.91629	0.6
644.35638	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98161	0.4
56.18391	0.5
57.12302	0.4
59.94822	0.5
62.62903	0.6
66.04567	0.5
77.65318	0.6
78.43465	0.5
79.82545	0.4
241.09825	0.5
242.24831	1.3
290.26941	8.4
292.09460	0.8
308.09464	1.1
308.12759	13.9
319.08383	3.8
320.09106	4.1
320.12827	2.4
321.10028	2.7
322.10794	6.9
334.10574	12.1
335.07861	1.0
336.12289	23.7
337.13058	34.4
350.10196	1.2
352.15408	100.0
406.20422	0.9
428.18515	0.7
509.91629	0.6
644.35638	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
57.01511	0.8
57.03444	1.6
61.02939	6.6
67.05515	1.7
69.03433	8.2
73.02924	1.3
81.03416	2.2
81.07056	2.3
85.02914	60.9
91.03975	1.9
92.21536	1.2
95.08590	4.0
97.02904	18.4
99.04481	2.0
101.22165	0.9
105.07047	1.3
105.16718	0.9
107.08608	2.2
109.02899	5.9
109.10174	5.4
115.03994	1.1
121.10167	1.0
121.15754	1.0
123.11734	1.9
127.03907	16.6
133.10161	1.9
135.11757	4.8
144.06581	1.8
145.04973	14.9
147.11705	5.8
149.13249	4.5
161.13290	4.3
163.06097	5.7
175.14873	5.7
187.14877	2.4
193.12268	1.6
201.16429	5.4
257.22662	33.2
285.22241	1.5
292.00217	1.1
292.09866	6.4
303.23129	17.0
306.07947	1.6
307.08481	1.6
309.10193	1.3
319.08640	4.4
320.09262	9.4
321.10007	19.7
322.10648	5.2
323.11606	5.8
324.12714	2.2
325.11435	5.7
334.10739	9.9
336.08621	2.5
336.12283	52.5
337.12830	4.8
338.13879	17.2
350.10349	2.2
352.15561	2.1
362.14334	1.2
364.15463	1.7
377.12390	1.9
391.79883	1.3
400.15610	1.5
403.14249	11.1
418.16620	12.0
431.13715	9.1
446.15793	11.5
447.27402	5.1
644.32172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10542	2.8
51.57557	2.8
53.52489	2.7
55.05528	3.8
56.05043	5.6
57.07082	26.7
67.05499	19.3
69.07058	6.6
71.08621	27.3
71.99147	3.3
79.05504	7.4
80.05051	5.4
81.07051	21.4
83.08610	7.4
85.10199	16.5
86.06065	5.6
86.86399	3.6
89.06030	45.7
91.05457	4.8
93.07033	7.6
95.04977	14.7
95.08607	22.4
97.10158	8.5
99.04457	3.9
99.08118	3.8
106.06577	7.0
107.08541	3.8
109.10148	13.8
122.06023	62.2
127.77809	3.6
133.08578	14.6
134.06003	6.2
140.07092	34.0
152.07034	5.5
170.08101	7.1
179.14249	3.8
188.09183	62.5
220.03604	13.3
306.07571	4.5
320.09125	74.0
321.09720	4.5
322.10593	5.8
336.12262	23.9
341.30490	100.0
351.06943	4.3
368.11404	5.1
370.11081	25.5
459.28018	24.4
513.20929	5.8
530.21454	23.6
530.86945	4.4
542.32202	19.7
560.33557	85.5
590.34552	6.3
608.35815	26.1
626.36011	23.2
644.30902	90.5
644.49725	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.1
55.01891	0.8
55.05509	4.6
55.82516	0.6
57.03426	1.2
57.07072	4.5
59.12462	0.6
59.59742	0.7
59.81189	0.6
67.05507	10.6
69.03419	5.1
69.07073	9.6
71.04984	1.6
71.08636	1.5
73.02915	24.3
76.60271	0.7
79.05489	3.7
81.03426	17.8
81.07046	11.6
83.05006	2.2
83.08611	8.6
85.02908	6.1
85.10192	1.5
87.04478	2.9
92.21597	0.8
93.07037	4.8
95.04983	0.9
95.08598	13.3
97.02892	16.5
97.06517	1.4
97.10147	8.5
99.04451	100.0
99.19146	0.7
104.00880	0.7
105.07015	3.1
107.08585	5.1
109.02877	5.7
109.06504	1.5
109.10150	7.5
111.04430	3.1
111.08071	1.1
111.11700	1.6
119.08606	1.3
121.10145	5.9
123.11711	1.7
127.03913	9.8
133.10112	0.8
135.11700	6.2
141.05444	3.2
145.04938	1.8
146.04022	0.7
147.11678	0.9
149.13257	3.0
156.33794	0.7
159.11592	1.2
161.13252	1.1
163.14798	0.9
171.06459	1.5
175.14740	1.3
205.15735	0.8
243.08614	23.1
265.25201	4.4
307.52179	0.9
319.26315	1.2
336.12311	1.8
345.28088	1.2
352.15353	3.5
355.26260	3.9
373.27390	9.3
386.42969	0.8
391.28339	14.7
409.29468	6.5
453.31650	0.8
471.31149	10.0
489.32037	27.0
507.33115	18.1
525.34039	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45096	3.6
53.03958	6.5
55.05518	3.7
57.07079	4.5
60.38297	3.8
60.44827	3.7
64.62985	3.4
67.05511	6.1
69.07050	7.6
73.02914	24.7
79.05508	5.9
81.03416	8.5
81.07060	24.6
83.08687	4.0
91.05511	4.0
93.07053	7.4
95.08617	9.1
97.02908	19.0
97.10233	4.7
98.66328	3.9
99.04465	100.0
105.07055	4.5
107.08567	7.8
109.02895	4.6
109.10166	10.3
110.33598	4.3
119.45771	3.8
121.10137	18.1
126.89304	4.4
127.03898	8.1
133.10190	4.0
135.11723	6.7
138.09047	4.4
243.08691	22.7
300.69296	4.8
320.08905	4.7
357.21570	5.6
373.27048	5.1
391.28140	15.4
464.59708	4.3
479.86823	5.9
489.31900	28.9
507.33191	8.5
644.38892	6.3
644.53223	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91940	0.2
51.20614	0.2
53.32647	0.2
57.07079	2.0
58.06609	0.4
62.06089	3.5
71.08635	1.7
85.10172	0.5
88.07627	0.4
88.42231	0.2
131.30945	0.2
167.26089	0.2
171.71646	0.2
212.23729	4.0
230.24767	100.0
284.29361	0.2
293.44525	0.2
319.08270	0.9
320.09018	0.9
334.10703	2.2
336.12360	1.8
514.82166	0.2
626.31305	0.2
644.32025	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
55.91616	0.5
57.03435	0.8
57.07073	2.0
58.06609	10.3
59.07368	3.1
60.08162	3.6
60.08408	0.6
66.43999	0.4
67.05489	0.9
69.07008	0.4
71.08620	1.0
72.77364	0.5
74.47981	0.4
76.12990	0.5
81.07037	1.0
83.08614	0.8
85.02893	0.6
87.04449	0.5
95.08565	1.0
97.10135	2.1
106.45667	0.4
113.05956	1.9
125.09592	1.9
131.07021	0.5
144.10210	17.7
162.11234	5.4
163.16307	0.6
189.11160	1.0
200.12941	0.6
236.14932	100.0
313.27328	1.9
320.09161	2.0
387.07465	0.6
388.23300	12.2
406.24316	6.7
456.36896	11.1
474.31235	0.9
474.37906	19.0
626.46307	2.2
644.47333	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51414	1.4
52.75357	1.4
54.42738	1.6
55.41725	1.5
56.57996	1.5
57.07061	3.2
59.34479	1.6
64.18925	1.6
67.05499	3.7
69.07091	2.3
75.70363	1.9
81.07059	3.2
87.04473	2.5
89.06032	100.0
93.07011	7.4
95.08607	4.0
118.35219	1.7
121.10133	2.2
128.41243	1.8
133.08609	28.9
177.11198	11.8
265.16595	2.6
320.09137	3.4
321.09610	2.1
336.12167	8.1
350.09949	2.0
355.41995	1.9
358.19495	2.0
371.23032	2.1
459.27948	52.3
644.32385	12.1
644.49475	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	42.0
62.07175	5.2
64.97025	5.7
67.05546	5.8
69.07068	6.8
70.12398	5.4
71.08636	37.7
73.06552	9.8
75.09693	5.7
81.07027	7.7
85.06533	7.9
85.10162	24.0
87.04433	7.9
89.06035	100.0
99.11739	7.3
133.08595	28.3
158.07312	6.8
162.63182	6.0
177.11215	7.7
192.10849	6.3
257.24750	10.5
320.09079	24.7
336.12286	34.6
627.46698	51.1
644.36273	8.9
644.49048	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45434	0.6
58.97964	0.5
69.21098	0.6
69.55395	0.6
71.29809	0.6
73.09961	0.7
74.39017	0.6
84.88985	0.8
87.65784	0.6
119.72477	0.7
119.73403	0.8
189.84418	0.6
193.13216	4.4
210.11066	2.9
212.58606	0.8
226.56036	0.7
320.09177	14.5
336.12439	1.3
363.22540	66.2
374.28836	0.7
457.37582	29.4
471.39102	1.7
556.87360	0.8
644.49768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	2.9
57.07080	1.0
58.06593	2.5
60.04515	0.4
61.24065	0.3
64.08147	0.3
66.05265	0.4
71.08625	0.8
74.06083	4.9
76.27969	0.4
79.10752	0.4
81.07070	0.4
86.06062	1.7
88.07621	2.4
118.08649	2.8
122.08146	6.9
154.12263	2.1
168.13824	2.7
171.14920	0.6
182.15402	1.7
185.16542	0.6
242.24765	27.1
272.25793	1.7
276.70667	0.5
290.26880	100.0
292.09589	0.7
306.07507	0.7
320.09195	5.7
321.09991	4.2
334.10812	2.1
336.08600	0.7
336.12265	12.9
337.12918	0.8
352.11646	0.7
352.15427	3.8
370.94281	0.5
410.14493	0.5
459.20621	0.5
464.57651	0.5
551.62048	0.6
644.31976	12.9
644.50452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	2.9
57.07080	1.0
58.06593	2.5
60.04515	0.4
61.24065	0.3
64.08147	0.3
66.05265	0.4
71.08625	0.8
74.06083	4.9
76.27969	0.4
79.10752	0.4
81.07070	0.4
86.06062	1.7
88.07621	2.4
118.08649	2.8
122.08146	6.9
154.12263	2.1
168.13824	2.7
171.14920	0.6
182.15402	1.7
185.16542	0.6
242.24765	27.1
272.25793	1.7
276.70667	0.5
290.26880	100.0
292.09589	0.7
306.07507	0.7
320.09195	5.7
321.09991	4.2
334.10812	2.1
336.08600	0.7
336.12265	12.9
337.12918	0.8
352.11646	0.7
352.15427	3.8
370.94281	0.5
410.14493	0.5
459.20621	0.5
464.57651	0.5
551.62048	0.6
644.31976	12.9
644.50452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
103.61415	0.6
119.01875	0.6
127.14054	0.5
143.01863	0.8
148.02841	0.4
155.01842	3.1
157.03397	0.6
159.04991	1.0
161.02901	1.9
162.24258	0.5
167.01807	0.5
173.02927	3.3
177.06067	1.8
183.04999	2.2
185.02888	2.3
187.04564	0.8
201.06084	31.1
201.07994	1.0
203.03952	1.0
211.05533	0.6
213.04208	0.9
213.06085	18.3
215.07675	0.5
219.07161	8.7
221.05052	0.8
225.06094	5.3
227.03989	0.6
227.07565	0.7
231.07121	10.6
237.06001	0.6
243.07141	15.4
245.05034	6.4
255.07133	0.8
260.78134	0.5
261.08261	0.8
263.06140	1.0
283.06613	0.5
285.08273	1.1
295.08545	0.7
297.74973	0.4
303.09235	100.0
305.06815	0.6
321.10284	28.6
351.19370	0.5
393.12314	0.6
423.13354	3.8
463.48767	0.5
465.14331	2.7
483.15488	12.8
525.17383	0.5
645.20831	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67873	0.3
51.12772	0.3
64.10240	0.4
71.38895	0.4
97.22829	0.5
145.06105	0.5
149.05904	0.5
150.06779	1.1
161.05978	0.5
175.06209	0.7
176.07074	0.5
177.07805	2.1
178.08661	1.1
181.81755	0.5
188.07047	6.7
190.08626	100.0
191.09416	1.1
194.08177	0.5
202.08627	28.2
210.39420	0.5
242.99850	0.4
247.07094	0.5
263.07092	0.6
275.07211	1.0
295.09766	0.5
296.10336	2.1
308.10022	1.0
308.13315	3.4
310.10687	1.0
311.11322	0.6
323.11502	5.0
324.12305	17.7
338.13837	39.4
339.14664	7.1
349.19388	0.5
372.12665	5.8
379.13052	0.6
483.18030	1.7
525.22821	0.6
645.22272	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72001	0.5
57.81598	0.5
67.72484	0.6
70.06600	1.1
73.71696	0.6
108.62148	0.6
136.07637	1.2
137.06050	0.6
151.03934	0.7
164.07042	5.1
165.07509	2.4
193.67960	0.5
273.09921	0.6
302.11096	0.6
335.10602	0.7
336.11169	1.0
338.12836	3.5
339.10626	0.8
351.13644	2.8
357.11902	0.6
363.09921	0.8
363.13809	1.0
364.10709	0.8
365.15210	6.2
377.15857	0.6
379.12866	39.1
394.34601	0.8
423.15988	2.8
459.00592	0.6
483.17691	100.0
645.22858	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70048	0.5
79.68165	0.6
81.50604	0.7
89.73728	0.6
99.04472	0.8
149.06020	0.9
173.43945	0.7
178.08676	0.8
188.07098	4.3
190.08629	55.5
202.08641	16.1
279.39828	0.7
283.09793	0.8
296.10303	1.0
308.12939	1.1
310.10663	1.1
323.11383	1.4
324.12265	8.2
338.13852	21.4
339.14877	3.6
351.13477	2.6
364.10672	1.4
365.15088	4.4
372.12701	2.8
379.12885	23.5
423.15436	1.3
454.07431	0.7
483.17618	76.6
645.22577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
56.30362	1.6
67.05505	10.8
69.07075	3.8
79.05520	6.8
80.10298	1.8
81.07063	11.8
85.06542	3.0
86.63785	2.0
89.06073	3.5
91.05492	3.0
93.07049	13.0
95.08598	12.0
101.87023	2.4
105.07038	8.6
107.08604	8.7
109.10153	10.4
110.42458	2.1
119.08588	9.4
121.10114	4.1
133.08603	2.0
133.10179	3.1
135.11703	4.3
142.39391	2.2
143.08440	2.5
147.11732	2.9
159.11740	3.6
183.11761	2.4
213.12926	2.1
236.02084	2.3
259.20584	2.6
290.26395	2.2
306.07614	16.3
307.08051	12.1
308.08640	3.1
310.20181	2.4
321.09988	8.3
322.10590	22.3
323.11246	18.9
335.07657	4.9
335.25662	9.3
336.08453	4.8
350.10352	16.7
351.10434	15.0
463.31674	2.7
551.20227	24.7
569.21356	3.2
609.44556	4.6
627.22241	7.7
627.45642	12.9
645.22784	100.0
645.32562	52.0
645.43622	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05674	0.8
71.02061	0.8
72.77732	0.7
111.05549	1.0
120.12547	0.7
132.04430	1.0
141.64595	0.8
177.05525	1.4
231.07603	3.4
233.14003	4.9
259.11877	13.5
277.12939	98.2
284.11343	1.3
302.12454	52.6
302.15912	1.7
319.15106	100.0
379.12796	1.2
483.17740	5.5
483.84518	0.9
501.24911	0.8
645.22321	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2539
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
61.82669	1.0
67.00227	1.1
69.03441	1.7
79.05491	1.5
85.02880	1.5
90.32874	1.2
91.05495	2.1
105.07023	2.0
105.37127	1.3
107.04948	12.5
107.08674	1.4
121.06468	2.1
123.04441	1.4
125.05991	1.7
131.04921	6.7
133.06476	5.6
135.08073	3.2
137.05943	1.5
145.06497	2.9
147.04420	9.9
150.06781	1.4
151.07573	2.2
153.05453	2.4
161.06020	2.1
163.07494	11.7
165.09106	2.2
167.07039	83.2
171.06476	1.8
173.05975	1.8
175.03958	2.1
179.07071	5.6
181.04945	100.0
191.07019	10.3
193.08615	19.3
195.10187	9.0
205.08578	6.2
207.06494	33.0
207.08414	1.5
208.06996	2.8
209.11731	7.4
211.09651	6.0
211.96938	1.4
213.11195	9.6
215.07045	2.1
219.08212	1.9
221.08005	2.4
233.08127	1.8
234.06825	1.8
235.05951	7.4
237.09160	2.9
241.10695	14.0
247.07382	2.9
249.09248	1.7
250.06256	3.1
253.08516	1.7
265.08560	7.8
277.08679	2.9
282.08838	2.2
285.11121	2.6
292.07462	1.6
293.08038	5.5
294.09042	1.5
295.09641	2.9
297.11246	5.5
299.09058	2.0
307.09555	2.4
309.11264	2.3
311.09265	1.9
313.10645	20.0
314.11526	5.3
318.07553	1.6
319.08298	16.0
320.08820	16.4
323.09064	3.2
325.10645	11.6
326.11484	2.8
330.11002	2.3
334.10776	23.9
335.11093	19.7
336.12238	7.2
337.10748	2.3
345.13309	38.0
353.10138	7.4
355.07782	2.5
355.11761	1.6
357.13190	15.8
358.10193	2.1
359.11127	7.3
369.13403	2.3
370.10385	2.2
373.12903	16.5
385.12781	48.0
387.14310	2.1
389.12125	2.2
397.12909	2.1
403.14078	9.1
415.13864	23.8
431.17090	2.1
433.14725	3.2
557.33545	1.5
584.93494	1.4
645.17755	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.6
55.36473	1.1
57.03424	1.4
63.48540	1.2
64.97278	1.2
65.04255	1.5
69.03112	1.3
69.03421	12.7
70.76548	1.1
79.05457	1.6
81.03426	23.4
85.02888	12.3
91.05497	2.1
92.21590	2.8
97.02874	11.5
97.81467	1.2
99.04454	100.0
105.07024	2.0
109.02876	2.9
117.05546	2.4
117.06978	1.5
119.08604	7.6
121.06498	1.3
127.03934	2.9
129.07010	3.3
131.04926	1.9
132.05692	2.2
133.06494	3.1
137.05988	3.4
145.04887	2.3
147.08043	12.0
148.05208	2.2
151.03908	1.8
154.06271	1.7
159.08061	6.2
160.05257	2.5
161.05981	7.9
163.13654	1.3
166.06271	14.1
167.07001	2.8
169.06482	3.4
175.07545	89.4
176.08360	19.6
177.05583	1.8
177.09178	1.8
179.07132	1.7
181.05063	2.5
181.08591	82.2
187.07507	15.0
190.06271	10.8
191.06990	3.1
192.07790	5.4
199.07556	12.0
201.09109	7.8
201.35062	1.6
205.04684	1.8
205.08594	24.2
207.10153	54.6
219.06625	1.7
221.67795	1.5
226.63805	1.4
243.08493	1.7
261.08978	2.2
276.11121	1.9
277.08731	2.8
289.08578	6.0
291.10211	1.6
293.11801	2.8
295.13336	5.5
303.10196	2.6
304.05988	3.0
304.10867	2.8
305.08426	4.3
305.11667	14.6
307.13202	2.2
308.10239	1.8
309.11154	9.2
311.09064	1.6
318.07559	6.6
319.08398	12.9
320.09335	8.8
321.11270	25.4
323.12704	2.7
324.13480	6.9
333.10977	1.8
334.10684	27.0
335.11334	6.5
336.13586	21.9
337.10532	2.9
340.12943	3.1
355.15399	32.1
367.15414	46.5
369.16873	26.8
645.22498	16.8
673.85724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.6
55.36473	1.1
57.03424	1.4
63.48540	1.2
64.97278	1.2
65.04255	1.5
69.03112	1.3
69.03421	12.7
70.76548	1.1
79.05457	1.6
81.03426	23.4
85.02888	12.3
91.05497	2.1
92.21590	2.8
97.02874	11.5
97.81467	1.2
99.04454	100.0
105.07024	2.0
109.02876	2.9
117.05546	2.4
117.06978	1.5
119.08604	7.6
121.06498	1.3
127.03934	2.9
129.07010	3.3
131.04926	1.9
132.05692	2.2
133.06494	3.1
137.05988	3.4
145.04887	2.3
147.08043	12.0
148.05208	2.2
151.03908	1.8
154.06271	1.7
159.08061	6.2
160.05257	2.5
161.05981	7.9
163.13654	1.3
166.06271	14.1
167.07001	2.8
169.06482	3.4
175.07545	89.4
176.08360	19.6
177.05583	1.8
177.09178	1.8
179.07132	1.7
181.05063	2.5
181.08591	82.2
187.07507	15.0
190.06271	10.8
191.06990	3.1
192.07790	5.4
199.07556	12.0
201.09109	7.8
201.35062	1.6
205.04684	1.8
205.08594	24.2
207.10153	54.6
219.06625	1.7
221.67795	1.5
226.63805	1.4
243.08493	1.7
261.08978	2.2
276.11121	1.9
277.08731	2.8
289.08578	6.0
291.10211	1.6
293.11801	2.8
295.13336	5.5
303.10196	2.6
304.05988	3.0
304.10867	2.8
305.08426	4.3
305.11667	14.6
307.13202	2.2
308.10239	1.8
309.11154	9.2
311.09064	1.6
318.07559	6.6
319.08398	12.9
320.09335	8.8
321.11270	25.4
323.12704	2.7
324.13480	6.9
333.10977	1.8
334.10684	27.0
335.11334	6.5
336.13586	21.9
337.10532	2.9
340.12943	3.1
355.15399	32.1
367.15414	46.5
369.16873	26.8
645.22498	16.8
673.85724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32185	0.7
55.05040	0.8
60.83714	1.1
72.04521	1.4
78.74209	0.9
81.03410	2.3
82.02959	0.9
83.06092	2.2
84.04505	33.9
85.02921	1.3
96.04489	52.4
97.02877	7.1
98.06045	1.6
108.04446	2.2
112.03954	1.4
112.29433	1.0
120.08115	7.7
122.05975	1.9
125.07108	4.0
126.05515	100.0
127.03957	1.1
131.04958	1.5
134.06018	2.1
138.05510	15.7
144.06577	17.2
148.03955	2.0
150.05472	7.1
152.07033	1.7
154.05035	1.2
165.06566	2.1
166.08618	4.1
168.06557	3.8
175.08713	7.6
178.05017	2.4
182.05986	2.1
186.07610	1.2
187.08679	1.3
193.82715	1.1
195.07635	1.5
196.06062	2.3
200.07056	28.9
204.08727	6.8
221.09238	6.9
221.11160	1.3
228.06598	1.7
233.09244	5.0
246.07605	11.0
253.09789	1.8
263.10187	2.1
280.12918	1.4
283.10617	1.4
295.10834	9.9
299.10391	4.2
325.11841	2.0
329.11368	4.4
341.11337	5.3
347.12271	1.7
358.14099	8.7
365.13165	1.4
371.12155	2.1
388.15143	11.2
406.15982	4.2
424.17007	1.7
471.18930	1.0
483.20569	1.8
561.22009	31.9
573.21429	1.4
591.14221	1.4
591.22937	31.5
609.23883	4.4
627.24969	12.4
645.26410	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3607
Annotation	Antibiotic BU 3292TA
Peak:m/z	Relative Intensity
58.67328	0.4
64.55620	0.4
67.05484	0.7
69.07084	0.6
71.08622	0.7
81.07040	0.5
82.97056	0.4
83.08626	0.5
85.02917	0.5
86.57069	0.4
88.07623	1.9
93.07044	0.7
95.08632	0.7
99.04491	0.7
102.09143	0.6
119.77509	0.5
121.10167	0.5
125.13773	0.5
140.31607	0.5
141.93745	0.5
142.73807	0.5
153.79733	0.5
215.97331	0.5
220.13171	1.0
224.06766	0.5
242.24844	0.8
256.26364	2.7
277.21585	0.6
278.13690	0.7
290.26837	0.6
303.64774	0.6
321.09653	0.7
336.12396	2.7
367.13550	1.1
367.63068	0.5
428.50607	0.5
528.76666	0.5
627.46161	1.2
645.35956	100.0
645.53723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22345	1.2
61.99559	1.2
67.05500	3.1
75.63480	1.0
79.05504	2.2
81.07044	6.8
82.75092	1.1
83.08604	1.3
88.07613	1.6
91.05457	1.6
93.07049	3.1
95.08608	5.0
96.48686	1.3
99.04482	1.6
105.07005	2.7
107.08588	5.5
109.10169	1.9
121.10098	1.5
131.08574	1.5
133.10143	1.8
133.29308	1.2
135.11670	1.5
145.10100	1.7
242.24564	1.6
559.28210	4.7
645.35822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31997	1.3
61.74500	1.5
67.05495	2.1
81.07071	2.3
93.07042	2.5
95.08617	3.5
107.08591	2.5
131.00035	4.0
140.98436	4.0
143.00008	2.3
151.00713	1.7
155.00044	3.0
157.01640	3.3
163.00423	1.5
165.02127	2.1
166.99962	2.9
169.01617	9.2
170.99548	3.2
174.99013	19.2
177.02156	8.2
179.03539	2.3
181.01619	3.3
183.03137	3.2
185.01106	10.9
189.00578	30.5
191.03661	3.1
193.01570	2.7
195.03188	3.2
197.01169	1.7
197.13235	1.6
199.02682	8.0
201.00533	2.4
203.02141	10.0
205.05312	3.3
209.01062	3.7
211.02644	6.5
214.14203	1.7
215.02139	8.2
216.64636	1.9
223.02586	7.2
225.04231	2.9
235.02617	2.2
236.51707	1.7
237.04128	3.1
241.03748	1.7
280.74582	1.9
308.12833	10.5
309.13144	10.7
320.09061	6.9
321.09818	9.8
321.13257	3.5
322.10666	13.8
323.10678	4.5
333.13593	63.0
336.12283	39.1
337.12845	67.0
338.13358	32.2
351.10410	2.6
351.14676	57.0
352.08615	3.0
352.15448	80.6
352.40399	1.7
353.09052	2.6
353.15750	87.9
390.38184	1.9
508.59106	1.9
602.92334	1.8
645.36499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98413	2.0
71.16849	1.8
81.07066	3.5
91.05463	3.2
95.08618	2.8
105.07046	2.5
121.10143	2.5
131.00020	12.1
140.98427	8.3
142.99985	4.1
148.98952	2.5
154.99979	3.3
157.01570	4.2
167.00011	4.5
169.01587	10.1
170.99480	9.4
174.98985	35.2
176.52531	2.1
177.02116	10.0
178.99997	2.5
179.03647	4.1
181.01624	3.3
182.99512	3.9
183.03085	8.7
185.01033	16.1
186.98993	3.7
189.00578	41.5
189.02100	3.4
191.03674	8.2
193.01668	2.9
193.05132	2.7
195.03152	3.5
197.01086	3.1
199.02690	15.2
201.00519	4.4
202.53423	2.3
203.02089	13.5
205.05284	4.2
207.03052	3.6
209.01050	11.9
211.02528	4.9
215.02068	8.7
219.06703	2.3
221.00964	3.0
223.02655	4.1
237.04189	3.2
239.02097	2.7
239.05646	2.6
308.12823	8.5
309.13168	4.4
320.08899	4.0
321.09784	11.5
322.10455	10.5
323.11157	4.0
325.08771	3.2
333.13547	75.5
334.10611	3.0
336.12161	25.0
337.12799	34.2
338.06625	4.7
338.13443	19.9
339.07217	5.0
340.07446	4.8
351.14612	100.0
352.08102	11.8
352.15414	43.4
353.08353	9.2
353.15732	42.8
384.60788	2.1
645.34369	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98413	2.0
71.16849	1.8
81.07066	3.5
91.05463	3.2
95.08618	2.8
105.07046	2.5
121.10143	2.5
131.00020	12.1
140.98427	8.3
142.99985	4.1
148.98952	2.5
154.99979	3.3
157.01570	4.2
167.00011	4.5
169.01587	10.1
170.99480	9.4
174.98985	35.2
176.52531	2.1
177.02116	10.0
178.99997	2.5
179.03647	4.1
181.01624	3.3
182.99512	3.9
183.03085	8.7
185.01033	16.1
186.98993	3.7
189.00578	41.5
189.02100	3.4
191.03674	8.2
193.01668	2.9
193.05132	2.7
195.03152	3.5
197.01086	3.1
199.02690	15.2
201.00519	4.4
202.53423	2.3
203.02089	13.5
205.05284	4.2
207.03052	3.6
209.01050	11.9
211.02528	4.9
215.02068	8.7
219.06703	2.3
221.00964	3.0
223.02655	4.1
237.04189	3.2
239.02097	2.7
239.05646	2.6
308.12823	8.5
309.13168	4.4
320.08899	4.0
321.09784	11.5
322.10455	10.5
323.11157	4.0
325.08771	3.2
333.13547	75.5
334.10611	3.0
336.12161	25.0
337.12799	34.2
338.06625	4.7
338.13443	19.9
339.07217	5.0
340.07446	4.8
351.14612	100.0
352.08102	11.8
352.15414	43.4
353.08353	9.2
353.15732	42.8
384.60788	2.1
645.34369	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85379	0.2
54.17472	0.2
56.44940	0.2
66.99024	0.2
67.82906	0.2
72.33285	0.2
86.60329	0.3
93.28300	0.2
104.71754	0.3
111.07915	0.3
167.07001	0.4
276.06451	0.4
290.08102	9.8
302.08121	3.4
304.06018	11.0
316.80362	0.3
318.07581	16.3
319.08380	56.6
334.10706	100.0
586.93512	0.3
604.79395	0.3
637.80579	0.3
646.19189	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60836	0.3
64.25504	0.3
118.68765	0.4
252.44418	0.3
273.81757	0.4
276.06390	0.6
290.08090	12.5
290.11331	0.6
302.08154	2.9
304.06021	13.0
306.10501	0.4
308.09222	1.7
318.07590	16.8
319.08389	60.2
320.09192	0.5
334.10721	100.0
358.97449	0.3
408.83624	0.4
519.11261	0.4
608.02466	0.3
646.19214	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60836	0.3
64.25504	0.3
118.68765	0.4
252.44418	0.3
273.81757	0.4
276.06390	0.6
290.08090	12.5
290.11331	0.6
302.08154	2.9
304.06021	13.0
306.10501	0.4
308.09222	1.7
318.07590	16.8
319.08389	60.2
320.09192	0.5
334.10721	100.0
358.97449	0.3
408.83624	0.4
519.11261	0.4
608.02466	0.3
646.19214	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82484	0.6
52.09829	0.5
52.24556	0.6
53.03037	0.7
53.88803	0.6
70.06573	1.2
75.07545	0.7
85.18214	0.6
88.58257	0.6
99.04457	0.9
108.88318	0.8
138.38043	0.7
139.59262	0.7
147.04347	0.8
151.03911	0.9
155.35587	0.7
171.59586	0.8
175.03992	1.3
175.76428	0.7
177.05536	1.1
191.09422	1.6
310.10706	59.7
322.10843	2.6
326.10309	1.1
338.10315	2.8
354.09879	1.0
368.11285	40.9
374.10394	3.3
392.11356	3.0
438.15417	1.4
452.13364	3.6
466.14966	3.2
484.16003	100.0
526.16968	15.9
556.18115	3.1
586.18994	9.9
646.21259	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10630	0.2
53.12127	0.2
62.51832	0.3
67.35278	0.3
71.46394	0.3
82.37423	0.2
121.01179	0.3
252.91843	0.4
287.21603	0.3
292.09668	2.9
306.07574	0.7
308.12729	0.8
320.09155	9.4
321.09891	11.1
321.13498	0.5
334.10681	1.7
335.11237	0.4
336.12277	100.0
337.12546	3.4
338.13837	0.4
352.15430	1.1
383.69226	0.3
504.24454	0.4
613.18890	0.4
613.38104	0.4
646.33942	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11020	0.5
64.06123	0.6
67.05519	0.7
81.07059	0.8
95.08607	0.6
113.14614	0.6
140.23505	0.7
162.99234	0.6
169.71605	0.6
230.17389	0.7
278.08038	1.0
292.09698	3.1
304.05945	1.3
306.07727	6.4
307.08490	4.0
308.09015	1.1
308.12613	0.7
318.07709	2.7
319.08340	9.9
320.09116	12.7
321.09888	15.3
322.07153	1.1
322.10666	12.2
323.11450	0.9
334.06940	1.8
334.10675	24.2
334.14542	1.2
335.07867	1.0
335.11432	1.2
336.08734	3.3
336.12286	63.3
337.12656	6.9
338.13870	1.0
349.20615	0.8
350.10190	6.2
351.10880	1.5
352.11792	1.2
352.15582	2.9
432.18210	0.7
600.33179	0.8
628.32941	1.3
646.33893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01867	8.2
57.61541	11.3
58.69767	9.2
65.83160	10.3
83.71796	11.0
95.08606	11.2
99.04450	100.0
156.00986	10.3
243.08452	10.3
315.76312	11.1
336.12292	43.6
358.69843	11.2
396.86603	11.5
422.12613	11.0
509.34454	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05774	5.1
57.38879	6.6
59.82125	6.6
71.45815	6.5
81.07050	9.1
88.07634	10.8
95.08590	7.9
97.02866	8.3
99.04467	27.6
100.04875	6.8
104.65362	5.9
115.62482	7.2
139.56450	7.8
173.37421	6.8
239.23767	6.8
243.08765	9.4
320.09247	74.8
573.75403	8.0
646.34149	31.2
646.45239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
83.15371	0.7
101.00941	0.7
112.09184	0.9
118.72472	0.8
129.00316	0.9
143.01889	6.0
145.03490	1.9
155.01938	5.2
161.02916	2.9
171.04990	1.3
173.02982	6.7
185.03015	3.5
185.06561	7.9
197.06580	7.0
199.08325	1.2
201.02557	3.3
203.04070	5.4
205.03546	1.1
209.06551	1.2
215.07722	3.4
217.03511	2.0
221.03070	2.0
221.05106	14.1
221.06927	1.4
223.04541	1.7
227.07726	3.7
231.04880	0.9
233.02991	1.7
235.04469	10.9
239.04051	1.5
239.07741	1.4
245.02985	1.9
246.03650	0.9
247.04567	3.6
250.02592	0.9
251.04185	1.6
253.05464	6.8
259.04721	1.0
263.04208	1.4
265.05499	2.6
269.08713	4.0
271.04666	1.0
277.05600	6.5
279.07236	1.4
281.05103	1.2
287.09756	9.0
289.05621	4.7
293.05038	10.0
294.05859	21.9
305.10794	7.6
307.06604	1.2
311.06293	3.6
319.06558	9.2
337.03558	1.4
337.07669	30.9
337.11389	1.4
347.06223	12.5
355.08704	27.2
365.07367	4.8
383.08276	12.2
401.09195	9.6
419.10199	1.4
485.15143	3.5
574.53778	1.0
647.20306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26095	1.1
64.00153	1.2
84.08162	1.5
98.52758	1.2
131.01897	1.7
143.01927	3.1
145.03529	1.6
155.01889	4.6
157.03452	2.2
161.03017	2.8
173.02994	5.3
185.03033	1.5
185.06586	9.6
197.06604	8.3
201.02426	2.9
203.04088	7.3
211.08275	1.7
221.03137	2.0
221.04950	11.1
223.04642	5.2
227.07669	2.6
235.04575	10.5
245.02962	2.2
249.06274	1.5
251.04163	2.0
253.05611	6.3
269.08487	2.2
277.05573	6.9
279.07242	5.0
287.09964	8.2
289.05664	5.7
293.05170	7.8
294.05795	20.3
305.10837	5.7
312.07275	1.6
319.06641	10.5
337.07697	29.8
347.06189	11.0
355.08740	22.5
355.12372	1.7
365.07584	4.8
383.08615	10.6
401.09274	7.9
485.14975	2.3
528.37665	1.2
531.69806	1.3
647.20361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99519	2.0
63.46178	1.9
64.29013	2.4
71.08607	2.1
80.66495	2.6
166.70726	2.4
220.13005	6.0
541.17053	3.0
629.21820	4.0
647.22400	88.7
647.37415	100.0
647.46368	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.238
Annotation	Bis-5-hydroxynoracronycine
Peak:m/z	Relative Intensity
52.92531	0.7
70.02966	1.8
70.06586	0.8
72.64616	0.7
72.75664	0.7
76.03992	1.5
78.90341	0.6
84.31776	0.7
91.05429	0.6
99.05595	1.3
116.03453	0.8
118.04488	0.7
130.05019	1.0
137.05974	1.2
144.09686	0.7
145.06104	12.2
151.07562	0.8
161.06024	1.0
175.06271	1.0
176.07104	3.0
177.07774	0.8
190.08627	18.4
191.09421	1.8
192.10233	8.2
193.03215	7.1
204.10185	1.7
205.10942	1.6
217.06421	1.0
217.25534	0.8
237.09222	1.2
249.09229	4.7
256.05698	0.8
258.25555	0.7
263.07321	1.0
265.08658	3.1
277.08670	11.1
279.10083	1.1
283.10172	0.8
285.11246	5.3
293.10730	1.1
295.09726	0.9
296.10587	0.8
297.11298	3.1
308.13022	4.0
309.10922	1.1
310.11096	3.0
310.14526	3.6
311.12006	0.8
324.12424	5.9
325.13120	8.7
326.13849	24.9
340.15552	12.2
341.16238	1.0
343.10492	1.0
374.14355	4.2
397.24872	0.8
406.60327	0.7
469.90390	0.7
615.95886	1.0
647.23877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19035	0.7
70.06611	1.4
145.02904	1.0
150.06828	1.0
177.07857	3.6
178.08638	1.5
179.09528	0.9
190.08627	31.0
191.09515	1.1
192.10191	72.0
204.10205	29.6
246.38860	0.8
262.59521	1.0
276.91745	1.0
298.11896	1.2
310.14563	1.8
325.13150	1.7
326.13882	18.2
340.15424	38.3
340.19308	1.5
341.16214	6.1
374.14185	6.7
485.16388	4.2
602.21576	1.5
647.23883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19035	0.7
70.06611	1.4
145.02904	1.0
150.06828	1.0
177.07857	3.6
178.08638	1.5
179.09528	0.9
190.08627	31.0
191.09515	1.1
192.10191	72.0
204.10205	29.6
246.38860	0.8
262.59521	1.0
276.91745	1.0
298.11896	1.2
310.14563	1.8
325.13150	1.7
326.13882	18.2
340.15424	38.3
340.19308	1.5
341.16214	6.1
374.14185	6.7
485.16388	4.2
602.21576	1.5
647.23883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79720	0.2
52.64938	0.2
59.49852	0.2
75.36919	0.3
79.65858	0.2
83.28040	0.2
85.02808	0.4
85.06499	0.3
93.06981	0.3
107.08569	0.3
107.84234	0.3
119.08546	0.3
120.88348	0.3
131.08521	0.3
133.10049	0.3
145.10118	0.3
147.11607	0.4
154.35271	0.2
163.03859	1.2
163.44913	0.2
207.06525	0.3
276.06354	0.9
285.07266	0.3
290.08075	8.8
302.08124	3.1
304.06015	9.7
308.45779	0.3
318.07581	14.3
319.08377	58.6
323.22214	0.6
334.10709	100.0
336.12381	1.6
337.12595	0.4
417.91370	0.3
449.77380	0.3
647.23895	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54494	0.3
58.50880	0.3
69.16534	0.3
82.77440	0.4
124.52410	0.4
125.75734	0.4
276.06332	0.4
290.08142	9.6
302.08063	3.0
304.06027	7.2
318.07550	14.1
319.08371	52.7
334.10709	100.0
522.18854	0.4
647.23871	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50893	0.4
52.03313	0.4
60.52705	0.4
62.39728	0.4
62.76401	0.4
109.14891	0.5
121.78706	0.4
132.25682	0.4
134.74347	0.5
196.24863	0.5
290.08139	9.3
302.08069	2.5
304.06033	8.8
318.07614	12.5
319.08383	52.9
320.09058	1.0
321.09622	1.9
334.10727	100.0
336.12292	1.8
378.46527	0.5
456.64771	0.6
538.15186	0.5
647.23969	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31466	0.7
61.68201	0.8
81.48956	0.9
85.57485	0.8
120.00966	0.8
133.06441	0.9
137.11963	0.9
177.05429	1.4
276.06366	0.9
290.08093	11.3
302.08154	1.6
304.06055	10.8
318.07642	12.8
319.08368	60.4
320.09061	4.7
321.09549	4.2
334.10730	100.0
613.15387	1.3
647.24091	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.3
74.42964	0.7
85.91584	0.6
107.04966	2.4
108.81596	0.6
136.07370	0.6
190.08749	0.6
195.31296	0.6
275.05582	0.7
278.11508	0.6
292.06076	11.4
304.06009	1.1
304.47504	0.6
310.14420	3.3
318.07651	0.8
319.08377	3.7
320.05493	11.4
320.09167	7.6
321.06299	22.3
321.09589	6.5
322.07086	3.7
323.10837	0.8
334.07361	0.8
334.10770	7.0
335.11072	1.3
336.08640	100.0
336.11877	3.9
337.12665	3.4
572.13470	1.0
589.19897	1.2
617.18951	2.6
631.20752	1.1
647.23615	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65351	1.6
70.32664	1.7
79.35921	2.1
89.53067	2.0
92.20933	3.0
105.07040	15.2
106.93534	2.0
107.04945	2.3
108.80735	1.9
131.04947	2.1
133.06503	18.0
137.06009	4.1
150.06786	7.7
151.07556	2.3
152.04729	3.4
161.06021	3.3
163.07635	2.7
165.09103	10.5
167.07028	100.0
181.04958	4.3
181.08568	3.1
187.07703	2.9
193.08614	41.5
195.06474	5.0
205.08577	8.0
207.06519	3.0
211.09625	41.9
231.08076	3.9
234.06740	2.7
236.90263	2.8
237.09074	2.4
246.06783	2.7
247.07504	4.1
249.09096	4.8
262.06073	2.9
263.07089	3.1
264.07834	3.7
265.08612	4.0
277.08600	9.5
291.06345	2.7
293.07959	3.5
294.08875	3.2
297.11230	3.0
301.48462	2.4
305.08987	4.4
307.09509	4.2
308.09503	3.7
319.08246	10.3
320.08865	11.4
323.08942	3.0
325.10669	14.4
326.11401	3.9
334.11020	21.3
335.11099	11.7
336.12262	2.6
337.10736	15.2
349.10599	2.6
354.10950	2.4
357.13223	10.8
369.13318	15.5
371.14636	3.4
373.12906	9.1
375.14398	22.3
381.13260	12.0
387.14264	11.5
399.14136	18.1
401.16171	16.6
417.15491	10.8
427.17566	4.5
647.19415	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2706
Annotation	Cineracipadesin E
Peak:m/z	Relative Intensity
51.92732	2.0
59.22432	1.9
92.21587	2.2
96.42538	2.4
167.44832	3.1
249.10146	3.7
251.11888	5.3
277.09698	3.3
279.11172	5.7
285.07477	3.3
298.32596	2.3
309.12366	4.8
311.13898	5.9
320.09119	14.5
321.09702	16.1
322.10236	4.5
323.10248	9.7
323.13950	3.9
336.12231	12.0
337.11984	2.8
344.13980	3.2
356.13651	3.1
358.15381	4.2
368.13284	2.7
372.13196	9.5
373.17957	4.3
383.16464	2.9
386.14758	4.7
396.13486	3.0
399.15884	5.1
400.12781	14.0
400.17123	4.1
414.13974	22.0
416.15878	4.0
417.16751	10.4
426.13907	3.2
428.15866	10.8
430.13724	3.9
432.15457	9.8
442.17880	3.4
444.15469	5.6
445.15918	4.8
446.17017	12.6
454.13901	11.9
455.14523	3.6
472.14798	11.9
473.15808	14.2
474.16702	29.2
476.18286	13.1
492.17493	3.5
504.17758	8.8
505.18423	49.6
506.19144	28.9
597.23285	29.8
629.26025	100.0
647.27075	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21252	0.8
53.01725	0.7
81.01917	1.9
85.02885	1.2
94.02685	2.1
95.08614	1.2
99.50615	0.9
100.41409	0.9
112.24026	1.0
118.76020	1.0
150.08864	7.3
151.09764	1.3
155.08592	0.9
180.09918	7.5
194.11546	11.4
201.57916	0.9
206.11606	2.2
208.13132	1.8
220.13089	30.5
222.11014	1.1
223.11716	7.8
232.57961	1.1
233.02745	0.9
234.14716	1.3
236.12587	1.8
248.16249	2.1
280.14932	1.0
318.24005	8.2
320.25711	4.3
350.23242	6.8
379.25226	1.3
554.43121	1.0
647.37567	100.0
647.47729	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45972	0.8
53.17302	0.8
54.43439	0.8
63.39055	0.9
65.65406	0.8
72.26692	0.9
81.01923	2.2
81.33467	0.8
83.40170	0.8
94.02709	3.9
105.07050	1.2
113.41092	1.0
118.01203	1.1
136.07407	1.4
137.34256	0.9
164.10606	1.4
178.12085	1.6
180.10069	4.1
194.11560	13.0
206.11588	4.6
208.13161	5.1
220.13083	13.7
222.14754	4.4
223.11862	1.3
234.14702	1.3
235.33727	1.1
236.12619	1.3
237.13382	1.9
248.16170	8.6
251.14923	4.0
268.39380	1.1
280.15259	1.1
318.24243	4.0
320.25616	4.2
334.23444	1.0
350.23099	7.3
352.24542	1.4
382.46146	1.1
473.20889	1.2
506.40909	1.0
561.30597	5.9
647.37720	100.0
647.48273	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77558	0.9
64.12593	0.8
66.44192	0.7
67.05488	1.5
68.56826	0.9
76.09836	0.8
76.52287	0.8
81.01922	5.1
85.98924	0.7
94.02702	2.0
95.08589	1.3
105.07070	1.4
131.24258	0.9
135.11659	0.9
145.70558	0.9
150.08978	1.2
163.76727	0.9
164.10509	1.1
178.12074	1.6
192.13693	4.3
194.11504	1.8
208.13025	6.7
213.47751	0.9
220.13060	9.1
222.14664	5.3
234.14659	3.8
236.12900	1.0
236.16150	1.4
248.16321	3.8
251.14999	3.3
262.17908	6.1
265.16599	3.8
276.19635	0.9
277.72693	0.9
318.24069	2.0
320.09213	1.2
320.25723	4.6
321.09656	1.2
336.12280	2.1
337.12860	1.3
350.23297	6.1
353.15741	1.3
367.13696	0.9
449.33371	1.1
561.29767	3.1
647.37640	100.0
647.49237	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35971	0.4
69.66468	0.5
73.79685	0.4
129.11786	0.5
131.18602	0.4
145.85612	0.4
153.05391	0.5
209.08611	0.4
218.40094	0.4
265.37183	0.5
273.33383	0.4
276.05792	0.4
290.08044	10.5
302.08115	3.9
304.05991	10.8
318.07593	15.4
319.08365	53.8
320.09122	4.5
320.88974	0.5
321.09634	0.6
322.10312	0.5
334.10706	100.0
335.11307	0.6
336.12161	2.8
486.15259	0.6
648.14429	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21061	0.1
84.62177	0.1
85.73206	0.1
87.90176	0.1
100.11546	0.2
102.07764	0.1
131.78069	0.1
154.82175	0.1
167.13121	0.1
181.77940	0.1
211.29282	0.2
322.07184	0.3
323.07852	1.6
324.08658	100.0
486.14026	7.8
556.19263	0.2
648.19250	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49336	0.1
70.06563	0.4
80.10160	0.2
112.97115	0.2
120.08105	0.2
123.69586	0.2
126.96574	0.2
146.68689	0.2
152.70367	0.2
207.06538	0.2
239.49800	0.2
263.85989	0.2
322.06955	0.2
323.07883	1.2
324.08640	100.0
411.03918	0.2
433.12247	0.2
486.13916	5.4
558.71515	0.3
558.96271	0.4
648.19183	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06702	0.2
55.66773	0.2
61.58027	0.2
62.47753	0.2
154.45448	0.3
173.99919	0.3
176.37447	0.2
231.37384	0.3
294.03915	0.3
323.07874	1.6
324.08658	100.0
422.49847	0.4
486.13873	6.1
648.19244	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03034	0.2
70.97388	0.2
93.50406	0.2
95.70663	0.2
110.26888	0.2
118.06836	0.2
152.28656	0.2
225.01607	0.2
269.74283	0.2
321.27295	0.2
322.06973	0.3
323.07852	1.6
324.08633	100.0
366.41568	0.2
486.13882	4.9
648.19208	32.5
659.12341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49336	0.1
70.06563	0.4
80.10160	0.2
112.97115	0.2
120.08105	0.2
123.69586	0.2
126.96574	0.2
146.68689	0.2
152.70367	0.2
207.06538	0.2
239.49800	0.2
263.85989	0.2
322.06955	0.2
323.07883	1.2
324.08640	100.0
411.03918	0.2
433.12247	0.2
486.13916	5.4
558.71515	0.3
558.96271	0.4
648.19183	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.207
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58199	0.2
78.92079	0.3
114.56964	0.3
155.35289	0.3
161.32759	0.3
219.37524	0.3
238.26904	0.2
278.08105	63.0
291.08884	0.5
304.09647	6.2
306.07596	100.0
307.05087	0.5
307.08405	8.7
308.09164	3.9
320.24155	0.3
334.10574	0.4
425.12909	0.4
426.13226	0.4
468.14429	6.9
486.15533	1.1
639.64819	0.4
648.20776	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07609	0.3
59.64599	0.4
63.48027	0.3
72.13094	0.3
77.65896	0.3
80.09910	0.5
81.13999	0.4
82.59284	0.4
102.61453	0.4
131.26698	0.4
155.09727	0.4
163.39140	0.4
197.82413	0.4
202.21054	0.4
278.08105	64.2
291.08603	0.7
304.06165	0.7
304.09573	6.6
305.06644	0.5
306.07596	100.0
307.08359	6.3
308.09146	4.2
315.70114	0.4
319.08395	3.3
320.08701	4.7
321.09061	1.9
334.10690	6.3
335.11078	7.2
336.11469	5.7
440.15393	0.4
468.14374	8.0
486.15253	1.6
585.03882	0.4
648.20844	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53359	0.2
50.87667	0.2
55.40022	0.2
56.07631	0.2
58.19340	0.2
59.47059	0.2
60.70042	0.2
74.99783	0.2
83.05694	0.2
87.55981	0.2
92.20977	0.3
131.51408	0.2
247.11726	0.2
263.05756	0.3
278.08093	63.4
291.08633	0.3
304.09665	5.1
306.07584	100.0
307.08334	6.6
308.09198	3.1
336.12256	0.4
342.73132	0.3
352.49121	0.2
426.13284	0.6
453.11679	0.3
468.14407	6.2
486.15695	0.9
648.20740	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23184	0.2
92.81885	0.3
105.05811	0.2
121.18470	0.3
128.07872	0.3
192.61290	0.2
193.10474	0.2
253.95267	0.3
278.08115	56.2
285.04053	0.3
290.98367	0.3
291.08432	0.5
292.09677	1.2
304.06137	0.3
304.09583	1.7
306.07599	100.0
307.08191	1.7
308.09158	2.4
316.09659	0.3
318.07761	1.2
319.08350	4.6
320.08948	4.0
321.09756	3.6
334.10712	5.6
335.11032	2.9
336.12222	14.0
425.12601	0.5
440.14996	1.6
468.14584	2.7
486.15912	1.2
648.20776	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29547	0.6
56.15081	0.6
58.06608	7.0
63.23774	0.6
63.54125	0.7
70.49406	0.7
105.57668	0.8
132.61404	0.7
146.14917	0.6
147.04416	3.5
277.02670	0.7
296.09235	4.3
304.05951	0.9
307.08377	1.4
310.07071	30.3
318.07666	0.9
319.08401	6.8
320.08975	2.8
321.09927	1.7
325.09436	100.0
334.10748	13.3
336.12283	7.4
340.11804	67.3
340.17892	1.1
450.41351	0.7
614.54877	0.8
630.26917	1.5
648.20459	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65068	0.2
69.92515	0.3
78.98220	0.4
82.59013	0.3
96.08086	0.4
96.96278	0.3
113.10692	0.4
114.09156	3.6
168.98361	0.4
209.16472	0.7
228.15884	0.5
278.08102	56.0
304.09750	1.9
306.07587	100.0
307.08301	2.2
308.09238	2.9
319.08401	0.5
320.09033	1.4
321.09723	0.7
322.10574	0.4
334.10715	1.8
336.12173	2.2
424.11993	0.6
425.12558	0.6
440.14938	1.9
468.14505	2.9
486.15628	0.5
625.51453	0.4
648.20819	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76081	0.3
56.30644	0.3
56.78671	0.3
82.00996	0.4
87.30640	0.3
92.20895	0.3
114.09109	2.2
154.81049	0.4
170.29126	0.4
214.48174	0.4
216.86102	0.4
278.08109	57.6
304.06134	0.5
304.09515	0.7
306.07596	100.0
307.08441	0.8
308.09201	2.3
318.07587	0.7
319.08420	5.3
320.09058	6.0
321.09445	4.4
322.10101	2.7
323.11450	0.7
334.10751	11.0
335.11118	1.9
336.12289	7.8
337.12741	0.5
338.14011	3.4
366.09494	0.4
425.12625	0.5
440.15094	2.3
468.14417	2.0
476.07791	0.4
486.15634	0.7
520.92657	0.4
522.69702	0.4
554.55084	0.5
648.20764	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65068	0.2
69.92515	0.3
78.98220	0.4
82.59013	0.3
96.08086	0.4
96.96278	0.3
113.10692	0.4
114.09156	3.6
168.98361	0.4
209.16472	0.7
228.15884	0.5
278.08102	56.0
304.09750	1.9
306.07587	100.0
307.08301	2.2
308.09238	2.9
319.08401	0.5
320.09033	1.4
321.09723	0.7
322.10574	0.4
334.10715	1.8
336.12173	2.2
424.11993	0.6
425.12558	0.6
440.14938	1.9
468.14505	2.9
486.15628	0.5
625.51453	0.4
648.20819	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62986	0.3
63.10048	0.4
64.26394	0.4
79.34888	0.3
173.17082	0.4
191.07475	0.4
274.43423	0.4
289.94647	0.4
290.08066	8.7
302.08142	2.4
304.06070	8.9
304.09445	0.7
305.06610	0.5
318.07626	11.7
319.08398	50.7
320.09201	1.4
334.10733	100.0
336.12381	1.9
454.12244	0.4
454.38699	0.4
648.23346	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84752	0.5
51.69091	0.4
55.26219	0.4
58.06536	2.6
95.55805	0.4
102.05410	0.6
110.35461	0.5
114.59306	0.5
201.47398	0.5
222.29025	0.5
223.11745	0.5
281.45746	0.6
290.08118	8.1
302.08176	3.5
304.06042	8.2
318.07559	10.7
319.08380	55.7
320.09134	10.4
321.09778	0.7
334.10721	100.0
335.11066	3.3
336.12360	3.7
338.13864	0.6
399.01541	0.6
504.58557	0.6
555.19470	0.6
648.23553	32.5
648.33331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45469	0.4
53.75079	0.4
58.06609	10.2
63.36800	0.4
70.06592	2.5
75.73610	0.5
80.84451	0.4
84.08113	0.6
86.09698	0.8
92.66727	0.5
105.63417	0.6
121.06517	0.6
122.68555	0.5
136.62471	0.5
171.74849	0.5
290.08109	9.9
292.09531	0.6
296.10196	0.6
302.08115	3.2
304.06076	9.2
306.07397	0.8
316.23599	0.5
318.04288	0.9
318.07629	15.3
319.08386	46.8
320.09134	21.6
334.10724	100.0
335.11072	0.8
336.12332	1.2
341.16208	2.9
546.10992	0.6
630.26154	2.2
648.23132	23.4
648.33661	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45469	0.4
53.75079	0.4
58.06609	10.2
63.36800	0.4
70.06592	2.5
75.73610	0.5
80.84451	0.4
84.08113	0.6
86.09698	0.8
92.66727	0.5
105.63417	0.6
121.06517	0.6
122.68555	0.5
136.62471	0.5
171.74849	0.5
290.08109	9.9
292.09531	0.6
296.10196	0.6
302.08115	3.2
304.06076	9.2
306.07397	0.8
316.23599	0.5
318.04288	0.9
318.07629	15.3
319.08386	46.8
320.09134	21.6
334.10724	100.0
335.11072	0.8
336.12332	1.2
341.16208	2.9
546.10992	0.6
630.26154	2.2
648.23132	23.4
648.33661	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62986	0.3
63.10048	0.4
64.26394	0.4
79.34888	0.3
173.17082	0.4
191.07475	0.4
274.43423	0.4
289.94647	0.4
290.08066	8.7
302.08142	2.4
304.06070	8.9
304.09445	0.7
305.06610	0.5
318.07626	11.7
319.08398	50.7
320.09201	1.4
334.10733	100.0
336.12381	1.9
454.12244	0.4
454.38699	0.4
648.23346	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06655	0.3
98.12381	0.3
98.94724	0.3
116.67656	0.3
134.58788	0.3
139.90102	0.3
144.00951	0.3
162.75592	0.3
167.20511	0.4
177.80275	0.3
208.27332	0.4
220.50058	0.3
290.08081	7.5
302.08102	1.7
304.06033	8.1
318.07617	12.6
319.08356	49.9
320.09283	2.1
321.09433	0.5
324.08502	0.4
334.10721	100.0
335.11282	0.4
336.12170	1.5
579.22992	0.3
648.22888	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.8
60.89220	0.5
63.73081	0.5
64.60543	0.5
72.75440	0.6
74.69285	0.5
75.80096	0.5
85.02964	0.6
86.49730	0.5
90.99686	0.5
94.24033	0.6
113.68982	0.6
162.77821	0.6
257.79071	0.7
290.08099	10.4
302.08206	3.1
304.05997	7.4
318.07620	13.9
319.08398	59.1
320.09177	11.5
322.10547	0.9
334.10727	100.0
335.11044	0.7
336.12387	3.3
648.23401	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08757	0.2
53.22165	0.2
55.65186	0.2
56.42837	0.2
57.03977	0.2
57.28500	0.2
58.06577	0.5
59.77220	0.2
62.15203	0.2
114.28322	0.2
130.42990	0.2
182.03941	0.2
187.27652	0.3
273.07556	0.3
276.06259	0.4
290.08090	8.6
302.08167	2.7
304.06052	6.6
308.09061	0.4
318.07605	9.1
318.11136	0.5
319.08368	46.6
320.05798	0.3
320.09000	2.0
321.09424	0.6
334.10715	100.0
335.11072	0.5
336.12253	1.1
464.35657	0.3
648.23370	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77158	3.1
57.98466	2.8
60.57808	3.9
62.20372	3.3
70.38649	3.0
70.92424	3.7
90.61673	3.6
91.48559	4.3
120.08080	4.7
125.93689	3.3
183.32161	3.3
189.88559	3.9
202.79420	4.2
225.13855	8.4
226.50087	4.0
336.12448	5.0
391.67761	3.8
475.21381	21.1
503.24301	42.1
514.22168	4.4
521.03650	5.1
521.25464	7.6
549.24316	5.4
608.26404	53.9
622.66656	5.6
630.26740	21.3
648.27423	100.0
648.37891	49.6
648.46826	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06504	2.6
58.06820	0.7
72.74904	0.3
77.68668	0.3
78.51422	0.3
85.02835	0.3
99.04295	0.3
101.86951	0.3
106.21224	0.3
115.38136	0.3
133.30159	0.3
137.05858	0.4
137.65828	0.3
175.03726	0.4
181.04874	0.7
248.65585	0.3
281.07980	0.4
290.08118	4.9
302.08035	2.0
304.06067	4.5
318.07587	6.1
319.08386	36.5
320.09018	2.8
321.09711	0.4
322.10718	0.4
334.10730	100.0
335.11127	0.7
336.12247	1.6
341.16254	0.5
349.08847	0.4
350.10184	1.2
393.66016	0.3
521.99774	0.3
648.28247	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09157	0.2
52.98033	0.2
71.60394	0.2
87.59796	0.3
117.08674	0.3
176.27014	0.2
216.17657	0.3
231.85085	0.3
250.93195	0.3
276.06500	0.5
290.08063	7.1
302.08145	2.4
304.06009	7.0
318.07578	8.9
319.08371	43.5
320.09009	1.3
334.10712	100.0
335.10980	0.4
336.12210	0.6
485.81253	0.3
648.28564	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89161	2.8
62.48649	2.4
66.15514	2.1
66.74307	2.1
67.05512	2.8
93.07050	2.6
96.46925	2.7
101.10107	2.3
154.12276	5.4
226.08464	5.0
229.21950	2.8
263.71387	2.7
279.17798	3.5
306.53720	2.6
307.08182	3.4
320.09210	11.2
321.09915	5.5
322.10400	14.7
323.07733	4.8
332.08813	3.0
336.08981	19.4
336.12097	23.9
337.12726	24.0
338.09781	32.4
338.13556	6.1
352.15417	26.6
353.11917	3.3
354.13617	4.1
355.13528	3.0
364.11710	2.8
365.12518	14.6
376.11981	3.8
378.13257	70.5
390.09512	29.6
391.10480	4.2
392.11218	5.1
402.13492	24.2
404.11285	55.3
405.11841	12.6
418.12949	11.3
435.20453	4.6
436.21219	23.2
447.16940	4.4
462.18802	31.3
470.19153	3.6
472.17059	3.5
476.20557	19.4
488.20432	4.7
490.21619	6.3
507.22269	4.5
508.23169	13.4
516.20190	32.7
518.21320	4.6
548.22839	14.9
602.31128	25.0
612.29254	15.8
620.32068	25.0
630.30737	56.3
648.31433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96960	0.5
55.76777	0.5
59.27419	0.5
74.25410	0.7
78.97319	0.6
95.08622	0.9
100.62673	0.7
112.62565	0.6
132.33525	0.7
163.16621	0.6
179.03401	0.6
233.48401	0.6
272.54245	0.7
278.07794	0.8
292.09644	7.3
304.09781	0.9
306.07553	1.2
308.12851	1.0
320.09158	15.2
321.09933	29.9
322.07059	0.9
322.10706	3.0
336.12283	100.0
337.12918	6.9
338.13721	3.6
352.15448	13.6
435.54153	0.7
526.70459	0.8
605.33014	0.7
618.94727	0.8
648.35272	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.4
81.07019	0.3
131.91095	0.4
292.09558	0.7
308.12976	0.4
309.05969	0.4
320.09164	5.8
321.10001	2.8
322.10431	0.6
336.12296	100.0
337.12973	1.8
338.13232	0.4
352.15485	2.0
501.44131	0.4
517.58801	0.4
630.35071	0.5
648.35260	45.9
673.80243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	67.4
69.03424	1.3
82.02709	0.7
103.39058	0.9
129.18442	0.8
193.78328	0.8
212.89090	0.8
248.47749	0.7
253.08533	1.0
265.11911	0.7
273.04337	0.7
279.06308	2.6
280.07434	0.9
281.07959	0.9
292.09763	4.1
293.10016	1.1
294.11111	3.3
297.07565	19.9
303.75674	0.9
311.09216	1.5
312.09903	9.6
319.09564	1.1
320.09207	6.1
321.07025	3.6
321.09930	5.9
322.10397	9.9
323.11380	12.5
324.11465	0.8
333.11194	5.1
334.10629	1.0
336.12631	28.2
337.12677	20.2
338.13553	26.3
356.14877	9.1
357.15680	12.4
358.16455	1.2
406.15622	3.1
469.20190	1.5
648.35394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18591	0.5
51.43817	0.5
52.45432	0.7
100.39008	0.7
121.21764	0.8
211.49464	0.8
245.25636	0.7
250.64989	0.7
265.88956	0.9
292.09811	4.0
306.07840	1.2
320.09213	5.1
321.09900	16.8
321.13342	0.8
323.07690	1.0
323.11444	0.9
336.12271	100.0
338.10172	2.9
600.37598	0.9
630.34576	1.6
648.35333	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11585	0.6
53.95770	0.6
56.12921	0.6
60.23608	0.6
67.05515	1.0
67.23914	0.6
70.01161	0.6
81.07053	1.4
93.07061	0.8
95.08617	0.8
97.28989	0.8
99.83122	0.8
121.55096	0.8
189.99255	0.7
292.09732	3.7
301.87036	0.8
306.07901	1.5
320.09247	6.2
321.09909	18.9
336.12274	100.0
337.13049	1.0
352.15451	3.0
442.83713	0.7
648.35376	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48211	2.0
53.76220	2.2
55.05513	2.6
58.06618	5.2
58.68898	2.4
58.88663	2.5
65.65712	3.0
69.03422	3.6
69.07067	3.2
81.03413	2.6
81.07066	5.8
82.78023	2.5
82.95329	2.6
83.08602	2.7
85.02908	60.2
88.69447	2.3
93.07039	4.7
95.08614	18.6
97.02891	15.1
105.07046	3.2
107.08594	12.5
109.02882	3.8
109.10137	17.7
111.11782	2.6
119.08582	18.4
121.10141	13.0
123.11688	3.7
127.03959	12.9
133.10133	6.5
135.11682	9.7
145.04941	16.8
145.10123	13.0
147.11678	10.7
149.13248	11.9
159.11662	14.1
161.13219	5.6
163.06114	3.6
163.14825	13.3
173.13287	5.5
174.05539	3.7
175.14806	11.9
177.16371	6.3
179.03889	2.8
189.16414	42.4
191.17932	4.7
199.14435	2.7
201.16389	12.5
202.86668	2.8
203.17851	3.0
207.17418	19.7
209.17857	3.0
215.17880	29.9
228.18651	2.8
254.45998	3.1
271.24216	74.2
289.25241	18.0
290.08011	3.3
291.08292	3.2
304.05920	4.5
318.07748	6.2
319.08377	49.9
320.09113	100.0
321.09399	5.0
322.10623	3.8
323.31961	3.0
334.10742	99.4
335.11057	34.3
336.12140	10.8
395.54471	3.1
433.29648	4.7
607.41296	3.5
648.22101	23.9
648.31671	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.5
61.82815	1.0
64.52406	1.0
69.03419	1.8
81.03439	1.7
83.05004	1.7
85.02895	1.3
90.69611	1.1
91.05497	1.9
97.02930	1.4
99.04487	1.4
109.02850	1.2
116.34846	1.1
119.04932	16.8
131.80519	1.2
135.04446	1.4
137.05971	2.4
147.04431	23.1
163.03909	30.3
167.60564	1.1
175.03911	67.6
180.06523	9.3
181.06938	2.7
194.45663	1.2
201.05687	1.2
207.06528	100.0
263.09119	4.6
302.73416	1.3
307.11710	4.8
320.09235	5.7
321.09808	1.7
334.10797	1.2
336.12274	6.1
337.12662	1.5
351.10550	2.0
369.11804	10.5
594.61969	1.3
649.21588	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2167
Annotation	Cyclomaltodextrin
Peak:m/z	Relative Intensity
50.34259	0.8
58.06594	1.4
60.12362	0.7
60.96313	0.8
62.25646	1.2
117.92389	0.9
126.99580	0.9
135.90227	0.9
168.29456	0.8
186.31284	1.0
290.08200	3.7
291.08444	2.2
304.06046	4.2
305.06458	1.9
318.07678	6.3
319.08267	24.7
320.08716	20.7
321.09583	1.2
334.10721	41.2
335.11008	41.0
336.12381	1.7
346.07101	18.6
347.07956	7.9
360.08636	3.6
361.09622	1.4
362.10199	4.2
392.09183	4.7
409.09711	1.6
410.10245	5.1
420.08609	28.3
421.09381	8.1
424.11832	20.2
434.10437	1.8
435.11005	5.4
438.13660	9.9
439.10434	18.7
451.10892	1.2
452.11407	8.0
453.12109	4.7
469.11517	2.1
470.12332	66.7
484.13818	16.6
649.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29101	4.7
60.18815	4.6
99.77507	6.1
113.41873	6.5
142.88576	6.1
157.06447	14.0
161.05981	9.7
166.12270	6.3
173.05994	7.1
176.08376	7.0
180.23479	7.1
181.08606	100.0
189.15158	6.0
190.06293	13.6
205.08650	38.2
217.08586	13.8
252.75272	6.9
261.07565	35.6
283.09683	9.5
295.09613	29.2
298.12054	8.2
310.12048	42.1
311.08966	8.1
319.08377	9.1
320.09329	64.3
321.09668	50.3
322.10535	8.6
329.13910	12.6
334.10638	13.1
336.08578	35.1
336.12415	45.3
337.12595	35.0
338.13608	12.9
341.13879	60.4
459.14417	11.2
459.29846	7.9
505.18338	35.6
589.20398	40.8
649.23749	10.5
649.35480	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55797	0.4
52.18679	0.4
58.06604	1.0
61.54375	0.4
62.21335	0.4
75.76969	0.4
78.27313	0.5
108.94202	0.4
181.96619	0.4
206.18912	0.5
239.68877	0.5
302.08554	0.5
303.08981	0.5
304.09909	0.7
318.07584	0.8
319.08215	3.3
320.08954	6.7
321.09372	5.0
330.11237	1.1
334.10657	5.0
335.11026	4.4
336.11844	2.9
348.12415	0.8
362.13983	2.3
378.13388	1.1
424.15396	0.6
428.15067	1.9
434.14139	1.1
438.13290	0.6
442.16476	4.2
452.14969	9.4
453.16095	0.6
454.12851	3.0
455.13611	0.8
456.14395	10.6
468.14261	5.3
469.15207	1.9
470.15991	19.6
471.16824	9.9
478.12671	0.8
480.14365	1.1
482.12289	10.0
484.17697	2.1
486.19119	10.3
496.13876	7.4
497.14621	7.4
512.17004	7.0
520.64362	0.6
587.21759	0.7
605.22852	3.3
615.21014	3.7
619.20490	5.9
633.22382	8.0
634.23132	0.8
649.25421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	7.8
63.78775	0.5
63.85336	0.6
78.06535	0.6
82.02845	0.7
87.65691	0.6
190.04947	0.7
285.07648	2.4
290.08127	1.0
292.09656	1.2
294.11246	0.9
304.06290	1.2
304.09766	2.6
305.06708	0.8
305.10483	3.7
306.11429	0.8
308.09131	0.9
319.08228	7.9
320.08823	3.8
320.12820	2.8
321.09604	4.2
322.10690	3.5
323.11526	3.6
334.10681	12.4
335.10950	8.7
336.12207	12.2
337.12860	3.7
338.13864	3.0
341.16327	0.8
342.16843	1.0
426.13940	0.9
436.15399	1.1
438.13620	1.4
452.15082	3.2
453.15839	1.1
454.16827	2.7
467.17297	1.3
470.15765	5.1
471.16666	1.0
482.12384	1.3
485.18442	0.9
513.16467	0.7
573.20209	1.0
591.21332	7.0
599.21631	3.5
601.20099	1.2
605.22791	5.3
615.21344	5.8
617.22943	11.7
619.20935	20.2
633.22369	14.2
634.23352	0.9
649.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2546
Annotation	Thalfine
Peak:m/z	Relative Intensity
56.93504	0.5
58.06598	0.8
64.14760	0.5
79.70271	0.5
81.07078	0.6
86.92539	0.6
87.00218	0.6
93.07016	0.6
95.08617	0.6
103.17615	0.5
107.08572	0.9
143.67081	0.6
145.10129	0.6
147.11755	0.7
167.07117	0.5
177.05553	0.6
192.10393	0.5
238.79607	0.5
251.11713	0.7
251.26416	0.6
280.09695	1.0
280.56573	0.6
285.07547	1.0
290.08157	0.9
290.11838	0.5
291.08109	0.6
292.09195	0.6
294.11136	6.6
303.12271	0.7
304.06342	0.6
304.09628	1.0
305.06482	0.7
305.10489	1.2
306.07230	0.5
306.11227	2.6
308.09119	4.7
317.13147	0.8
318.07724	1.1
319.08167	5.3
320.08789	9.3
320.12720	3.0
321.09305	5.4
322.10638	9.0
323.11490	11.8
334.10724	10.5
334.14563	1.0
335.10715	8.5
335.14163	2.7
336.11737	11.7
337.12692	2.1
338.13837	22.2
349.15436	1.2
369.14557	0.7
413.18680	2.1
416.15271	0.6
425.18292	1.0
427.16714	4.0
428.15616	0.7
438.13339	1.1
441.17896	2.9
442.16116	5.0
446.16986	2.7
452.14975	3.0
454.12433	1.4
456.14703	3.5
457.21368	5.7
464.18274	0.7
468.13419	0.6
470.15952	7.5
471.16803	2.5
482.12393	3.0
486.19217	3.6
496.14444	1.1
497.14886	0.8
524.20441	5.5
556.27600	0.7
591.21582	1.1
605.22797	3.4
615.20575	3.7
617.23792	1.1
619.20691	8.4
633.22485	9.2
634.22394	1.9
649.25348	100.0
664.19855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86547	0.5
56.00845	0.5
59.95886	0.6
62.82706	0.6
129.44835	0.7
237.57613	0.9
285.07407	1.1
290.07956	1.1
292.09579	1.2
304.09564	1.0
318.07535	1.4
318.11011	0.9
319.08322	6.0
319.11554	0.7
320.05402	1.0
320.09116	27.5
321.09485	25.2
322.10385	1.0
334.10757	14.0
335.10901	6.0
336.12244	7.4
348.12387	0.9
362.13855	1.4
424.15097	0.8
428.14731	1.5
434.13464	1.3
434.44067	0.8
440.15048	1.1
442.16589	4.8
452.14911	8.5
454.12756	3.0
456.14215	10.4
468.14450	6.2
469.14478	1.1
470.15955	17.9
471.16718	5.0
480.14218	1.6
482.12262	7.5
484.17258	1.3
486.19046	11.9
496.14056	7.6
497.14548	8.1
512.16895	6.7
591.21552	1.3
605.22723	1.4
615.20984	5.3
619.20898	4.9
633.22101	7.1
634.22443	1.4
649.24982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22300	0.5
66.66150	0.7
80.33858	0.5
106.23619	0.6
170.66316	0.6
191.26292	0.6
304.06143	0.8
306.07947	0.7
306.11383	0.6
308.09219	0.8
313.98245	0.6
318.07791	1.2
319.08401	3.7
320.09048	12.5
321.09543	8.9
330.11380	2.8
334.10715	6.1
335.11072	6.1
336.11844	5.5
346.10986	0.9
348.12549	0.7
362.14053	2.5
422.14267	0.8
424.15359	1.0
428.15170	1.4
434.14001	0.9
438.13583	0.8
440.15106	0.8
442.16495	4.9
452.14893	10.2
453.15759	1.0
454.12268	1.9
455.13596	1.3
456.14337	10.4
468.14722	5.4
469.15143	1.1
470.15991	19.0
471.16745	8.8
479.13461	0.8
480.14111	2.2
482.12375	10.0
484.17285	1.0
486.19037	11.4
496.13910	8.7
497.14740	7.9
512.16919	8.4
587.21381	1.4
605.22876	3.3
615.21429	4.7
617.22137	0.7
619.20679	5.5
633.22284	7.9
634.22620	1.0
649.25317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02178	1.7
58.06607	19.2
64.54429	1.4
69.68179	1.3
94.48136	1.6
99.04440	1.7
189.54430	1.6
283.71072	2.1
290.08118	2.0
305.53442	1.8
316.84662	1.8
318.07681	4.1
319.08438	15.2
320.08917	9.8
321.09650	6.8
330.63708	2.2
334.10706	33.0
335.11081	12.2
336.12186	8.9
348.11923	2.0
442.16455	8.6
452.14758	9.6
456.14380	15.2
468.14319	3.2
470.15927	24.6
471.16718	18.2
482.12714	11.6
486.19220	24.9
496.13516	7.2
497.14633	9.7
512.16949	9.2
603.32117	1.8
619.20319	3.8
633.21985	3.9
634.22418	2.5
639.09857	1.8
649.25812	100.0
649.35516	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10195	0.5
54.37118	0.4
57.76676	0.4
58.06604	0.6
77.47428	0.4
112.41772	0.5
127.44571	0.4
217.02769	0.5
264.19803	0.5
290.07953	0.7
318.07697	2.1
319.08255	6.1
320.09036	5.7
321.09656	2.4
334.10709	11.8
335.10950	4.8
336.12442	1.8
434.13730	0.7
435.15335	0.7
436.15488	3.1
447.60367	0.6
452.15131	3.6
453.15845	2.6
454.17139	4.8
456.14594	0.6
464.11389	0.8
467.17389	2.3
468.18839	0.6
470.16119	4.9
471.16980	2.3
482.12338	2.9
484.17563	2.0
485.18329	2.9
496.14069	0.9
513.16510	0.8
573.20007	0.9
581.21228	0.6
591.21381	8.0
599.21667	7.4
601.19708	2.4
605.22748	7.6
615.21747	3.6
617.22852	17.1
619.20776	19.7
633.22314	15.8
634.23090	0.9
649.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28686	0.5
58.06601	4.3
77.62595	0.5
81.07063	0.7
83.04946	0.5
85.02890	1.1
90.52823	0.6
97.02843	0.7
107.08598	1.1
119.08537	1.0
127.03942	0.6
251.11847	1.0
285.07581	6.7
290.08084	1.1
292.09689	2.6
304.06036	0.6
304.09607	0.9
306.11310	1.0
308.09225	2.0
318.07852	1.1
318.11365	5.3
319.08459	5.8
319.11981	1.8
320.09000	7.6
321.09775	8.5
322.10739	2.4
323.11499	1.3
334.10654	11.7
335.11118	4.0
336.12280	25.2
337.12970	4.1
338.10129	1.0
338.13809	3.7
339.10794	0.8
350.13950	0.8
400.16690	2.3
428.15784	0.7
436.15540	0.8
446.16986	3.2
452.14883	0.8
464.18365	1.4
467.17337	1.0
470.15985	4.7
471.16663	2.2
513.16699	2.9
524.20166	10.3
585.20190	11.4
587.19580	0.8
588.18536	1.3
591.21210	8.2
603.21149	11.8
605.22736	7.7
617.23260	6.0
619.20709	16.0
633.22473	14.4
649.25525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
89.98457	0.8
113.20158	0.8
122.05989	1.5
124.07587	32.4
131.87393	0.9
146.06000	6.5
148.07664	0.9
152.07059	0.7
172.03859	3.4
173.04730	4.8
174.05466	11.1
176.07069	9.2
190.01688	0.8
190.05060	1.8
191.05730	1.6
194.35393	0.8
204.06516	14.6
206.08173	3.4
218.88843	0.7
243.11238	12.9
269.09613	1.1
269.12820	7.9
271.10803	1.3
273.12396	0.8
275.13831	0.9
283.10776	3.5
285.12305	12.2
287.10254	4.7
297.12250	8.7
299.10373	1.1
301.11725	0.8
303.13367	26.2
313.11801	1.3
315.13397	1.5
319.08392	3.1
320.08987	3.0
323.10336	1.2
329.14810	3.7
334.10629	6.6
335.11017	3.5
346.15439	1.4
347.16187	4.7
360.17255	5.4
372.13467	1.5
373.13806	1.5
374.14914	3.3
386.15054	3.7
387.15793	6.7
388.16409	6.1
396.13535	0.9
401.13449	1.2
402.13974	1.7
402.18552	1.2
404.15887	1.9
405.16672	1.5
406.17831	7.3
414.14392	9.9
415.15210	24.9
416.16025	30.8
418.17572	1.7
428.15884	4.5
430.17575	6.3
431.17975	1.2
432.15549	4.0
433.16354	5.1
434.17166	6.7
438.14484	0.9
446.17166	8.8
447.17938	3.9
456.15347	5.8
460.14893	1.2
474.16656	13.3
475.17233	4.9
506.19199	0.9
581.23688	1.4
599.25006	100.0
613.26129	1.0
631.17981	1.4
631.27570	28.1
649.19153	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05206	0.8
55.78548	0.8
60.43085	0.9
66.40090	0.9
68.81448	0.9
80.98920	1.0
95.08587	1.0
109.71140	1.0
122.06064	2.3
122.17918	0.9
124.07604	32.5
146.06007	5.2
172.03941	3.4
173.04742	5.4
174.05519	16.0
176.07071	9.7
190.05058	1.7
191.05724	1.3
204.06575	18.5
206.08127	4.1
219.98944	0.9
243.11319	16.3
250.12059	1.0
269.12738	8.9
271.10999	1.1
273.12219	1.5
283.10788	5.5
284.11435	1.6
285.12323	13.5
287.10236	6.0
297.09448	1.1
297.12308	9.7
303.13361	23.9
315.13309	4.1
318.07562	1.4
319.08246	12.7
320.08969	11.6
324.11325	1.6
329.14981	1.7
334.10730	21.8
335.11084	23.3
336.12357	1.5
346.15637	1.9
347.16376	4.8
360.17163	4.2
372.13528	1.6
374.14911	4.6
386.15005	4.7
387.16016	2.1
388.16559	7.3
398.14532	1.1
401.14044	1.2
402.14014	2.7
402.18753	1.8
404.16077	7.3
405.16763	3.6
406.17624	6.8
414.14267	8.5
415.15201	26.4
416.16055	30.6
418.17911	1.4
428.15942	2.5
430.17490	6.0
432.15524	2.4
433.16656	7.8
434.16937	5.2
438.14636	1.5
446.17072	10.4
447.17654	2.5
456.15805	4.8
457.16397	1.2
460.14987	1.3
470.12433	2.1
474.16718	10.5
475.17255	5.9
581.23206	2.0
599.25049	100.0
631.27856	33.3
649.19714	6.0
649.28119	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3011
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
56.46450	1.8
72.87022	1.6
84.55550	1.6
184.88535	1.7
473.19644	3.8
502.23218	2.4
503.24142	9.0
547.27264	15.3
561.24786	3.3
589.28235	36.7
631.54120	2.0
649.29803	100.0
649.39496	24.0
649.47882	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73130	0.8
66.14455	0.8
73.85398	0.9
77.08562	0.8
79.94733	0.8
81.07063	1.7
92.21476	1.3
95.08605	1.2
95.18254	1.0
97.58973	1.1
106.37540	1.2
107.08558	1.2
119.08557	1.1
121.10114	1.0
137.13161	1.0
142.20145	1.0
196.00923	1.1
433.24164	1.6
445.19873	2.0
459.21918	5.3
460.22769	6.4
461.23300	5.0
473.19644	4.7
475.25198	1.1
487.21164	3.7
502.23309	5.0
503.24570	10.6
515.24475	1.9
531.23932	2.2
546.25647	1.8
547.27179	19.4
561.24750	5.5
574.65900	1.1
589.28149	43.0
607.28717	4.7
631.47046	1.3
649.29773	100.0
649.39117	71.7
649.47815	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74702	0.5
69.59907	0.6
87.60632	0.6
89.99734	0.6
115.56362	0.6
120.84989	0.7
131.66440	0.6
143.68439	0.6
222.11096	0.7
281.96826	0.7
342.58679	0.6
367.13708	0.9
649.39246	100.0
669.45068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19629	1.5
62.53211	1.2
68.91508	1.4
75.39443	1.4
83.16364	1.4
96.18303	1.5
100.14543	1.5
105.73557	1.4
128.42592	1.3
130.99988	1.9
140.98453	3.1
150.15613	1.5
155.00017	2.4
157.01572	2.5
167.00040	2.2
167.03648	3.5
169.01549	9.3
170.99524	2.5
171.03105	3.4
174.99020	9.1
177.02057	3.4
179.03656	5.4
181.01566	2.3
182.99507	1.6
183.03149	3.5
185.01073	6.6
189.00543	31.5
191.03674	2.9
193.05310	3.0
195.03180	1.7
197.04716	3.5
199.02744	4.8
199.48468	1.6
201.00545	2.8
203.02077	9.2
205.05307	1.9
207.03136	1.8
209.01239	2.9
209.04649	1.6
211.02649	5.6
215.02090	5.7
219.06953	2.2
223.02530	2.5
225.04128	2.7
229.03690	6.1
237.04198	2.9
239.05754	2.1
249.04141	2.3
251.05731	2.0
272.48245	1.4
320.09198	2.3
335.15128	100.0
336.12292	5.3
337.12589	6.2
353.16147	5.9
631.40430	2.7
649.35052	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
57.93563	1.3
70.27075	1.2
78.49314	1.1
78.58746	1.1
114.34389	1.4
131.00037	2.8
140.98462	5.2
143.00018	3.1
145.01640	1.7
153.02072	2.4
155.00008	6.9
157.01591	6.0
163.00615	1.3
165.02106	2.1
167.00047	2.9
167.03711	1.9
169.01622	10.0
170.99471	2.6
171.03128	2.9
174.99007	14.9
177.02109	1.9
179.03673	7.4
181.01610	6.8
181.05249	1.7
183.03174	9.0
185.01114	9.2
185.04689	2.5
189.00552	27.4
191.03656	6.1
193.01616	1.3
193.05226	5.7
195.03152	1.9
195.07018	1.4
197.01088	2.8
197.04686	5.1
199.02637	6.6
201.00597	8.8
203.02148	10.6
205.05278	1.6
207.06776	2.5
208.87128	1.3
209.01045	2.0
211.02721	5.2
213.00510	2.1
215.02132	10.4
219.06805	3.2
221.08340	1.4
223.02669	6.0
225.04173	6.1
229.03708	1.9
231.06697	1.9
233.08308	2.3
237.04024	2.8
238.04965	1.5
251.05678	2.9
277.07376	1.9
280.09555	1.2
321.09897	2.6
335.15131	100.0
336.12244	8.3
336.15552	6.1
337.12598	9.7
353.16248	6.6
446.84332	1.5
631.40411	8.8
649.34875	9.3
649.42700	1.9
649.50964	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24419	2.5
55.05505	8.5
67.05502	14.4
69.03439	8.2
69.07069	8.3
76.47839	3.4
79.05498	7.0
81.03423	14.3
81.07061	30.1
81.75412	3.3
83.04997	4.0
83.08607	6.3
91.05495	6.1
93.07072	3.7
95.08613	25.0
95.14559	3.3
97.02932	5.7
97.06537	3.6
105.07053	6.4
107.08582	8.0
109.06494	3.7
109.10167	14.5
119.08611	8.0
121.10134	5.8
123.08089	26.0
123.11702	6.4
127.03897	19.2
128.95601	4.0
133.10074	3.5
133.65089	3.7
137.09552	3.5
142.89671	3.3
147.11700	7.6
149.09583	24.0
151.07578	12.5
161.13219	16.2
165.12737	13.1
171.11676	4.2
179.14313	4.2
183.32581	3.6
189.12743	49.9
207.13799	100.0
225.14809	51.8
294.55215	4.0
321.09802	6.3
322.10828	10.6
323.10922	13.0
389.26724	6.4
407.27841	5.6
615.54822	3.9
649.34534	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73870	0.2
56.29079	0.2
57.05181	0.2
62.67389	0.2
75.90990	0.2
76.47716	0.2
78.88315	0.2
151.03903	7.8
151.05020	0.5
152.66043	0.2
251.92720	0.2
262.08557	0.8
264.10233	0.3
277.07318	0.9
290.08124	1.9
292.09647	12.0
292.12943	0.5
306.07617	0.8
307.08026	1.2
308.09155	11.2
318.07535	2.7
319.08368	1.0
320.09155	100.0
334.10736	2.2
336.12103	0.2
337.12936	0.3
458.12210	1.0
650.18707	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12524	0.3
70.06570	1.7
72.08141	0.3
76.83076	0.3
81.03374	0.5
84.08134	0.5
85.02885	0.4
86.09704	2.3
87.44264	0.2
97.02895	0.4
99.04421	0.4
102.05500	0.3
108.57604	0.3
120.09200	0.3
127.03976	0.3
131.04959	2.3
141.10262	0.3
149.05896	0.3
156.60890	0.3
164.10626	1.4
166.08636	0.3
167.07056	0.5
177.05420	0.4
188.07059	2.9
192.10123	0.3
194.11746	0.7
225.09068	0.4
230.13879	0.4
253.08559	0.7
281.08118	0.5
285.11227	1.9
293.14963	1.1
298.08060	0.4
313.10684	100.0
321.14365	0.6
322.10480	0.3
323.16119	0.4
325.10568	2.1
339.08612	0.7
340.11768	8.3
341.10129	5.8
342.13345	4.5
368.11292	0.6
370.12881	6.6
386.12021	1.1
388.13821	0.4
496.16098	0.5
508.72086	0.5
514.16901	0.5
520.24896	0.3
532.18085	4.3
566.28278	1.4
596.28839	0.7
632.32172	0.4
650.24329	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60379	0.3
63.80168	0.2
69.12254	0.3
80.29745	0.3
105.83096	0.4
106.44724	0.3
124.07590	0.3
126.25214	0.3
154.89046	0.3
182.68762	0.3
225.93925	0.3
266.52060	0.3
290.07651	0.3
292.09647	9.3
304.09613	1.5
306.07562	2.9
320.09125	14.8
320.12772	0.7
321.09933	26.3
334.10846	2.4
335.11328	0.5
336.12271	100.0
338.13831	0.4
628.39825	0.4
650.31348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95984	0.2
58.06607	0.4
81.02780	0.2
278.07962	0.3
292.09659	11.3
292.12973	0.4
304.09711	1.6
306.07645	3.7
307.08469	0.3
318.07742	0.4
319.08240	0.4
320.09149	14.3
321.09955	26.1
322.10400	0.4
322.86493	0.3
334.10797	1.1
336.12286	100.0
610.17932	0.3
632.29431	0.4
650.30084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
80.51186	0.3
84.06869	0.2
92.21482	0.4
157.16600	0.3
290.07816	0.4
292.09814	2.1
304.06213	0.5
318.07614	1.3
319.08408	2.5
320.09167	100.0
321.09747	1.6
334.10632	4.6
335.11096	2.0
336.08127	0.3
336.12271	13.5
650.26068	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59710	0.9
52.25599	0.9
62.51653	0.8
64.75777	0.9
65.61916	0.8
71.30981	1.1
77.35791	0.9
105.07036	1.9
107.04987	1.5
115.05398	1.3
119.08574	1.0
129.07005	2.0
133.06497	6.3
136.05209	7.9
137.06013	1.8
151.07549	100.0
159.08089	2.0
160.05161	1.2
161.05962	13.0
163.07498	1.6
165.09103	1.4
175.07549	28.3
187.07544	20.0
199.07536	6.8
233.09702	1.9
234.10394	4.3
250.09839	1.2
250.69040	1.2
261.09113	2.5
262.09857	5.2
265.12222	30.4
273.74182	1.1
274.09802	2.1
277.12198	2.0
278.09424	1.6
290.08017	1.6
291.10175	1.4
293.11685	13.1
294.12488	8.6
295.09750	1.9
305.11728	1.9
306.12521	5.4
310.11887	1.5
318.07684	2.2
319.08368	12.7
320.09122	22.0
321.09802	4.4
325.14340	47.5
334.10742	24.5
335.11047	8.3
336.12170	21.2
337.14401	10.4
355.15344	14.6
392.07706	1.3
508.28226	1.2
650.25562	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58945	0.8
53.82214	0.7
65.53355	0.8
73.15968	0.8
82.59280	0.8
87.81290	0.9
104.14391	0.8
107.04958	68.2
109.03030	1.1
123.04401	8.0
143.04922	6.0
145.06493	7.6
149.05972	1.3
161.05962	25.4
164.07040	1.3
173.20740	0.9
203.85327	1.2
227.89249	1.0
237.09036	1.9
247.21928	1.0
255.07486	1.0
255.10162	57.0
272.12796	100.0
273.61331	1.0
336.23849	1.0
440.31744	1.1
540.16833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21626	0.8
53.85067	0.8
55.05514	1.3
61.96371	0.9
67.05498	1.6
81.07033	1.3
81.51689	1.1
83.08604	0.9
91.05450	1.1
105.08519	1.0
106.86685	0.9
109.10198	1.2
110.06110	0.9
118.26851	0.9
121.99202	1.0
165.05489	2.2
190.05020	1.3
207.29420	1.0
209.04448	5.3
218.04514	5.3
308.29465	1.1
310.14304	1.4
320.09204	5.7
325.06927	1.6
334.10733	3.5
336.12280	2.0
338.13382	3.9
352.08105	6.3
353.06409	1.9
364.08047	2.2
368.07800	1.6
378.06091	3.5
380.07321	2.2
382.08969	8.9
392.07648	5.7
393.08337	1.2
394.09103	1.8
394.23788	10.3
398.08759	1.2
404.07736	3.9
422.23257	16.9
450.22876	11.6
460.13461	1.8
462.15674	1.4
474.15601	1.8
486.18811	2.3
530.18066	1.1
546.17676	1.6
570.28394	5.1
614.27148	5.3
632.28467	23.1
650.29352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08592	0.2
56.24553	0.2
58.06609	2.8
58.92079	0.2
59.06921	0.2
92.21516	0.3
201.00969	0.3
269.91989	0.3
284.39862	0.3
292.09708	5.0
304.09641	0.5
306.07635	1.8
319.08383	0.4
320.09119	5.7
321.09930	23.4
334.10733	1.7
336.12280	100.0
337.12616	0.6
338.13409	1.3
352.08124	1.5
352.15396	0.5
600.07495	0.4
650.30920	46.1
653.08447	0.3
659.58929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15446	0.3
58.06610	7.8
59.06942	0.8
62.16471	0.4
66.31336	0.3
72.81299	0.4
80.47842	0.5
81.07071	0.5
81.74466	0.4
93.07057	0.6
139.79907	0.5
280.07193	0.6
292.09668	5.6
297.07748	0.7
304.09671	0.7
306.07669	1.7
313.10391	0.5
319.08429	0.6
320.09097	5.8
321.09949	23.1
322.10495	0.9
323.11124	0.7
334.10730	2.7
336.12296	100.0
337.12894	0.8
338.13446	2.1
339.10861	0.6
339.14600	0.7
342.30551	0.5
643.73730	0.5
650.30823	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	13.4
59.60785	1.2
74.46341	1.2
89.44208	1.2
193.12280	1.6
211.13374	2.3
264.43710	1.3
265.08633	3.0
289.20288	1.6
293.10519	2.6
294.11285	6.2
297.11252	2.2
307.12021	1.8
308.09201	6.5
308.12857	6.0
309.09756	1.6
319.08432	2.9
320.09116	8.2
321.09915	6.4
322.10709	22.1
323.11481	30.0
334.10669	17.6
336.12268	64.1
337.13077	22.8
338.13837	53.5
339.14059	2.3
448.02768	1.4
470.14636	1.8
606.90686	1.6
650.37115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99318	0.6
58.06609	7.2
58.06837	0.8
94.93407	1.0
104.45193	0.8
129.94427	0.9
141.35733	0.8
157.77737	0.8
265.08624	0.9
294.11240	15.6
306.11224	1.7
307.12006	1.4
308.09119	6.3
308.12808	6.1
319.08359	4.7
320.09171	12.1
321.09802	8.2
322.10638	20.2
323.11493	38.3
324.11771	1.3
334.10703	8.5
336.12280	86.3
337.13077	14.2
338.13834	69.6
650.37085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.0
55.68727	0.6
56.05046	5.4
63.60120	0.7
66.96227	0.6
67.05495	3.5
69.07074	3.5
70.06597	0.9
70.09982	0.7
71.05048	0.7
79.05477	0.7
81.07056	1.7
83.08620	0.8
88.01148	0.6
88.94302	0.8
91.05463	0.9
93.07035	1.7
93.58745	0.8
95.08613	3.4
107.08573	1.1
109.10167	9.1
111.11701	1.0
121.10208	0.8
122.66219	0.7
135.11728	1.6
136.11252	1.0
137.09636	1.8
149.13165	1.1
152.19711	0.7
153.13875	2.8
154.12267	100.0
168.13797	3.8
171.14915	37.6
182.15413	12.0
194.11502	1.0
196.16956	36.9
198.14928	1.3
199.18037	2.9
200.69890	0.9
208.13063	1.0
213.19583	4.2
306.24457	0.8
320.08948	1.0
320.25580	1.1
333.25241	2.4
334.23563	1.6
351.26459	4.7
352.24664	1.3
369.27487	40.9
435.33490	1.0
435.39496	29.8
463.42426	3.1
477.44009	8.1
486.77414	0.9
650.50024	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.0
55.68727	0.6
56.05046	5.4
63.60120	0.7
66.96227	0.6
67.05495	3.5
69.07074	3.5
70.06597	0.9
70.09982	0.7
71.05048	0.7
79.05477	0.7
81.07056	1.7
83.08620	0.8
88.01148	0.6
88.94302	0.8
91.05463	0.9
93.07035	1.7
93.58745	0.8
95.08613	3.4
107.08573	1.1
109.10167	9.1
111.11701	1.0
121.10208	0.8
122.66219	0.7
135.11728	1.6
136.11252	1.0
137.09636	1.8
149.13165	1.1
152.19711	0.7
153.13875	2.8
154.12267	100.0
168.13797	3.8
171.14915	37.6
182.15413	12.0
194.11502	1.0
196.16956	36.9
198.14928	1.3
199.18037	2.9
200.69890	0.9
208.13063	1.0
213.19583	4.2
306.24457	0.8
320.08948	1.0
320.25580	1.1
333.25241	2.4
334.23563	1.6
351.26459	4.7
352.24664	1.3
369.27487	40.9
435.33490	1.0
435.39496	29.8
463.42426	3.1
477.44009	8.1
486.77414	0.9
650.50024	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25421	1.1
54.44841	0.9
60.24096	0.9
62.45330	1.1
66.90651	1.3
81.48077	1.3
134.21887	1.2
218.27325	1.2
267.18527	1.3
289.84781	1.6
319.08554	2.3
320.09134	4.7
322.11237	1.5
323.10934	2.0
334.10803	6.7
335.11282	2.5
336.12131	1.5
337.12787	2.5
436.08163	11.5
537.12140	1.6
551.12317	2.2
562.11395	1.9
563.12769	1.6
565.10376	21.4
578.11304	2.8
579.11786	34.1
591.11700	11.7
593.09808	22.1
607.11334	66.0
608.12103	7.5
623.14508	40.0
636.10974	3.7
651.13885	100.0
651.31915	3.5
651.35693	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
57.03441	0.3
58.06592	0.4
63.68491	0.2
66.82684	0.2
67.05495	0.4
83.04985	16.7
85.02907	33.2
87.04490	0.3
87.59731	0.2
111.04442	8.0
111.13026	0.2
127.03895	1.3
129.05476	4.8
138.25392	0.3
156.34291	0.3
159.94942	0.2
171.06516	22.9
189.07584	10.6
189.09048	0.2
213.57829	0.3
234.57610	0.3
241.23273	0.3
286.04684	12.1
301.07050	100.0
320.08969	0.4
335.11026	0.4
336.12344	0.4
453.44699	0.3
463.12305	10.4
489.13550	0.5
633.17926	1.0
651.19073	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29713	0.2
55.05536	0.2
60.45335	0.2
71.04993	4.9
83.04980	2.5
85.02905	1.4
99.70494	0.2
103.56141	0.2
111.04451	5.8
113.06003	1.3
117.05503	0.6
129.05486	5.4
140.95021	0.3
158.26794	0.2
171.06512	1.3
189.07587	5.4
218.53084	0.2
258.05206	0.3
282.29175	0.3
286.04721	9.6
301.07071	100.0
320.08990	0.3
463.12378	14.8
471.49039	0.2
515.69489	0.3
571.66620	0.3
651.19336	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11238	0.2
64.08489	0.2
69.03440	1.9
71.04980	1.3
78.21745	0.2
81.59908	0.2
83.04974	0.5
85.02879	1.0
104.44875	0.2
111.04429	1.4
128.48915	0.3
129.05476	1.6
133.06540	0.2
137.05957	0.6
142.95712	0.2
147.07841	0.2
168.49966	0.3
172.58257	0.3
189.07620	1.5
228.28934	0.3
260.13055	0.3
286.04691	4.8
297.07529	0.2
301.07059	100.0
320.08932	0.3
334.10745	0.4
336.12268	0.4
337.12509	0.4
463.12424	8.4
498.28183	0.3
651.18829	6.0
651.28040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.4
70.62510	0.2
71.04989	1.9
71.96028	0.2
78.52145	0.2
83.04978	1.6
85.02909	2.0
111.04434	2.3
113.06002	0.3
129.05478	2.6
149.67497	0.2
171.06502	1.8
189.07594	2.6
238.03001	0.3
240.58994	0.3
246.70563	0.2
258.05258	0.4
285.07568	5.1
286.04642	1.6
292.09824	0.5
301.07050	100.0
310.10791	2.3
319.08414	0.5
320.08972	1.2
321.09891	2.0
322.10345	1.4
334.10657	1.7
335.10748	0.3
336.12292	6.0
337.12546	5.2
338.13736	0.3
463.12338	7.9
499.12305	0.3
505.13425	0.5
514.15302	0.3
651.18713	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05513	0.2
63.41126	0.2
69.03441	1.6
69.32772	0.2
83.04961	0.8
87.90114	0.2
106.36163	0.2
111.04431	0.4
129.05458	0.4
144.50261	0.2
146.84724	0.2
153.00360	0.2
268.25443	0.2
286.04779	1.5
301.07056	100.0
321.09827	0.4
322.10440	0.3
334.10489	0.2
336.12360	2.1
337.12589	1.7
463.12433	6.2
554.46277	0.2
642.93304	0.2
651.19110	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77482	1.1
58.06609	37.7
59.06929	2.5
64.66874	1.1
68.31815	1.4
69.57482	1.1
75.81104	1.1
76.69376	1.1
85.02900	1.6
85.28396	1.5
121.06510	2.6
121.10131	1.3
123.76872	1.2
159.31790	1.3
169.36360	1.3
192.06476	1.6
219.00510	1.4
222.22430	1.3
247.08545	1.6
280.06024	6.2
281.07932	2.3
282.08463	2.9
295.08353	26.3
296.10318	5.6
297.10788	7.3
308.08981	5.5
310.10709	39.7
320.09048	4.8
321.09854	1.6
323.11212	1.9
324.08572	1.6
334.10742	7.7
335.11203	1.4
336.08710	2.8
336.12332	3.0
341.16415	2.2
342.16708	2.4
458.11929	9.4
470.12177	5.7
471.18234	5.0
472.13831	1.9
473.14368	1.9
481.11658	1.9
484.10205	53.5
499.12610	29.0
651.23035	100.0
651.36584	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91347	1.0
50.92761	0.7
53.97558	0.9
54.13409	0.9
56.44410	0.7
58.06610	6.9
60.00498	0.8
69.81121	0.9
74.22607	0.9
81.07013	1.1
99.04458	1.4
105.07025	3.5
122.12781	0.9
129.06998	1.2
130.11842	1.0
151.07541	1.6
151.17950	1.0
161.05949	2.1
167.07051	6.5
175.07481	1.0
179.07050	1.6
179.47066	0.9
191.07031	1.6
194.05743	1.5
195.06540	11.2
199.07526	4.4
203.08607	1.0
220.08746	1.8
231.08003	5.8
233.09573	1.1
244.42767	1.0
247.07523	1.4
248.08263	6.5
249.09105	1.6
258.06833	1.5
259.07532	6.9
260.08347	4.2
261.05389	1.7
261.09097	1.9
262.09854	1.5
263.10715	8.1
265.08603	6.1
273.09149	4.0
275.06989	1.4
276.07776	25.4
277.08646	4.5
280.10846	1.5
287.07117	1.9
288.07901	6.7
289.08655	6.8
290.09286	9.8
291.10175	16.8
292.10907	1.7
293.08017	10.4
293.11093	1.5
301.08661	5.5
303.10013	1.8
304.07214	6.6
305.08078	5.0
307.09500	1.6
308.10339	14.8
318.08716	1.6
319.09641	27.1
320.10318	11.4
321.07516	1.6
321.10986	4.3
323.12698	12.4
331.15323	1.6
333.11270	1.6
334.10641	7.6
335.11063	1.7
336.09613	4.1
351.12250	100.0
355.22888	1.0
384.06378	0.9
411.14362	3.5
453.26266	1.2
525.88458	1.3
651.24225	1.9
651.36542	8.5
651.73090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83055	0.6
53.64320	0.6
53.87603	0.6
58.78001	0.6
63.90383	0.6
67.05515	1.0
67.64838	0.6
74.46340	0.7
79.05509	0.9
81.07069	1.1
82.83619	0.6
84.66342	0.7
95.08588	0.7
121.10201	0.9
153.04141	0.8
213.07967	0.8
236.91173	0.8
397.02502	0.7
457.20145	1.8
458.21054	4.5
459.21442	5.8
471.21909	1.5
472.22726	3.5
473.23529	1.1
486.19772	1.2
487.25546	1.1
499.21420	3.6
500.22028	0.9
503.24606	2.8
505.22388	1.5
517.22369	6.3
518.23163	4.7
519.24164	1.1
531.24048	20.5
532.24585	1.5
533.25391	3.6
543.23944	0.9
545.94196	0.8
549.24170	3.4
559.23492	22.6
563.22333	5.1
576.23840	0.9
587.22961	3.0
591.25916	7.4
592.26917	1.2
609.27008	1.2
619.25348	15.0
651.28107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61015	0.9
67.05488	1.4
80.68593	1.0
81.07024	1.6
82.17835	1.2
84.98403	1.0
95.08624	1.6
313.23441	1.2
352.92426	1.4
430.21631	1.7
444.23199	2.0
447.15497	1.3
457.24039	7.6
459.21844	5.9
460.22678	6.9
461.23413	4.4
474.78137	1.1
476.21338	1.6
477.22409	1.9
485.23489	30.7
486.20187	9.8
487.20602	1.4
487.25568	1.7
489.23178	2.4
499.21432	1.6
500.22095	5.1
503.24274	5.3
513.22772	5.7
515.24341	22.7
531.23877	37.9
550.26300	2.1
559.23364	14.4
591.25903	17.9
592.28040	1.5
607.44116	1.5
651.28259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51950	0.5
78.97659	0.5
95.08574	0.7
107.08594	0.7
162.18845	0.5
190.98071	0.5
431.18878	3.0
432.19016	0.6
433.23999	2.2
442.43961	0.5
445.20325	2.3
446.20859	0.8
447.21768	4.3
459.21774	3.6
460.22589	12.1
461.23517	9.7
462.24268	0.6
473.23523	2.6
487.24921	2.1
491.20370	0.7
492.25330	2.9
505.21848	6.0
519.24066	0.8
533.25476	36.0
561.24719	0.6
563.23114	1.0
564.23871	0.9
565.28101	2.0
575.27124	0.7
591.26038	16.6
593.18018	0.8
593.27643	30.9
651.28131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2811
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.66043	0.8
80.10336	0.9
111.53751	1.0
119.08573	1.4
127.04202	1.0
162.92546	1.0
164.29150	1.2
167.59114	1.0
178.25090	1.2
249.56566	1.1
261.44589	1.2
433.20294	4.3
434.20984	1.8
435.21869	4.5
438.49472	1.0
441.39902	1.1
491.24344	1.9
504.21915	1.2
505.22348	1.6
507.23956	17.4
517.22559	1.3
518.23077	11.0
519.23865	5.3
534.26819	1.4
545.25555	1.1
547.27429	1.2
563.22394	7.1
567.25702	7.4
577.25348	1.2
591.25977	39.5
651.28021	100.0
651.37250	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.28
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.22978	0.4
55.05528	0.5
58.06611	7.3
58.41813	0.4
59.06929	0.4
59.57317	0.4
60.71397	0.5
64.05231	0.4
67.05513	0.5
78.85111	0.4
81.07063	1.9
92.21514	0.6
93.07047	1.1
95.08611	0.8
107.08590	0.8
109.10117	0.7
117.07049	0.5
121.10185	0.6
128.79391	0.5
133.10152	0.5
145.10074	0.6
147.11778	0.5
159.27748	0.4
212.76540	0.6
271.60562	0.5
327.08801	0.8
333.84515	0.5
336.12183	0.5
408.64127	0.5
418.91354	0.5
423.76981	0.5
434.25183	0.5
456.23212	2.0
457.24023	0.6
460.22562	0.8
461.23291	0.9
470.21088	0.7
471.22031	0.4
474.24234	0.8
475.21201	0.7
484.22510	4.8
485.23672	8.2
486.20917	0.9
487.20996	0.7
488.21994	0.5
489.22665	0.7
491.24643	1.9
492.25497	0.7
499.20428	0.6
500.22015	0.6
502.23468	1.9
503.24585	2.2
505.22644	1.0
507.24042	0.6
509.23679	3.5
512.21527	0.8
513.23114	0.6
514.23651	3.1
515.24506	2.8
516.21875	0.8
517.22668	0.8
517.25800	0.7
518.23151	3.0
519.23883	4.2
521.26019	1.5
527.24451	12.0
530.23267	1.1
531.24060	7.5
533.25275	0.8
534.26263	1.0
535.23993	0.4
535.26160	0.4
541.22412	0.7
545.25513	2.1
547.28003	0.6
549.24933	1.0
557.25500	7.6
559.23700	0.7
563.23383	2.4
573.25342	1.0
574.94476	0.5
577.24115	0.5
583.23358	2.5
591.26611	9.1
601.24670	8.2
609.26917	0.8
619.27502	0.7
633.26617	2.4
651.28149	100.0
651.37378	5.0
674.08899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03710	1.5
55.51472	1.5
58.06610	18.1
62.96004	1.9
62.96581	1.6
66.71149	1.8
67.05501	3.4
69.07067	2.2
81.07053	3.9
93.07048	2.2
95.08591	1.8
95.57139	1.7
99.04449	4.5
102.61367	1.9
104.46102	1.7
109.10210	2.3
130.05167	2.1
140.94847	1.7
175.66164	1.9
194.15453	2.2
405.39166	2.3
437.95609	2.1
518.23151	11.3
519.23938	8.2
527.24304	3.6
563.23077	2.1
591.25958	19.8
601.24811	3.5
651.28082	100.0
651.37891	18.8
651.48120	3.6
679.29852	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	9.1
65.25313	1.7
81.07062	2.8
85.80895	1.9
95.08595	3.5
105.07082	2.9
107.08564	1.8
126.78568	1.7
130.45253	1.8
162.03537	1.9
164.09074	2.4
458.21121	16.9
475.20837	4.6
485.19919	13.1
488.21884	3.8
503.24402	31.2
521.25488	11.7
531.23389	3.2
549.25085	36.5
590.25702	3.8
608.26361	4.6
609.27728	2.4
649.28253	2.4
651.28125	100.0
651.38684	3.4
651.45612	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51791	0.9
55.64154	1.0
67.56862	1.2
81.07081	1.7
81.90881	1.1
93.07058	1.5
95.08623	1.6
99.04441	2.0
107.08630	1.5
119.08604	1.9
121.10181	1.8
128.34332	1.2
200.75726	1.5
231.35197	1.3
457.24045	5.8
459.21747	5.8
460.22842	2.4
472.22787	2.4
485.23529	28.2
486.20572	8.1
487.25128	2.4
489.23129	1.6
499.21774	1.9
500.22330	3.0
503.24457	4.8
513.22290	2.1
515.24487	20.6
531.23969	27.9
559.23419	8.6
591.26105	6.3
651.28107	100.0
651.46582	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2811
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
67.47710	0.4
76.89685	0.5
81.07088	0.5
93.81908	0.5
97.86441	0.4
123.71006	0.5
126.51262	0.5
370.87997	0.5
431.18790	1.9
433.24091	2.0
434.24677	0.6
445.20230	1.0
446.21210	0.9
447.21844	4.3
455.90289	0.5
459.21906	2.7
460.22446	11.8
460.28262	0.6
461.23312	11.4
461.29544	0.5
462.24292	0.6
473.23428	3.1
474.23843	0.7
487.25159	2.5
492.25262	2.3
505.22195	7.8
519.23773	0.5
533.25482	37.8
534.26282	0.7
547.27087	0.7
549.24969	0.7
563.23029	0.8
564.23822	0.9
565.27997	2.2
575.26782	1.0
591.26025	19.0
593.27594	37.4
651.28156	100.0
651.49817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	28.2
57.03470	5.6
57.07083	36.2
67.05515	48.3
69.07071	71.8
69.93892	4.0
71.08624	30.1
77.18004	4.7
77.85606	4.6
79.05495	8.6
81.07062	94.9
83.08630	63.5
85.06528	7.1
85.10172	9.8
86.06066	5.6
93.07027	24.6
93.32781	5.0
95.08615	99.3
97.06536	7.7
97.10164	46.5
97.46604	4.5
100.07629	8.5
105.07044	9.9
106.87641	4.6
107.08604	25.5
109.10178	38.7
111.08093	8.2
111.11730	10.1
116.89693	5.0
119.08575	11.8
121.10128	38.2
123.11691	29.3
125.09623	7.4
133.10091	30.8
134.02133	5.3
135.11662	26.8
137.13298	19.3
147.11694	31.5
149.13278	9.8
151.11194	6.1
161.13268	12.8
175.14754	6.8
179.30498	5.0
184.17009	19.8
198.68190	5.2
273.25613	9.8
291.26813	36.7
308.29449	90.8
326.30521	100.0
327.28766	10.5
501.30511	6.4
520.55127	5.6
634.57507	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67915	33.9
68.23888	35.4
69.07066	55.4
78.49425	38.8
81.07047	65.1
95.08566	61.2
147.11671	51.0
151.86813	37.3
178.56003	42.6
218.76955	42.1
251.99474	41.2
269.52533	38.9
280.05643	43.4
283.03439	40.7
308.29495	100.0
320.09131	48.3
338.35327	43.8
627.66797	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50279	0.5
56.93568	0.5
68.92979	0.5
71.05357	0.5
97.55497	0.5
135.02615	0.5
160.03925	0.7
165.05482	5.9
178.04990	22.8
206.04501	2.2
264.06528	0.7
275.53903	0.6
278.08136	2.8
280.06052	1.2
281.06921	1.1
291.05313	0.8
292.06091	2.0
292.09390	1.6
298.78769	0.5
302.07547	1.0
306.07590	4.4
306.10825	0.5
308.05591	3.3
309.06186	0.6
318.07529	1.0
319.04718	2.2
319.08359	3.2
320.09167	58.5
321.09683	1.3
322.10284	0.7
334.07025	5.5
334.10745	9.7
335.07532	0.9
335.11133	1.8
336.04980	0.6
336.12329	4.8
337.05817	7.4
337.12704	0.6
352.08136	100.0
366.09781	0.7
370.09207	45.7
652.16107	11.0
652.23486	6.7
683.19019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68765	0.9
58.06610	30.6
59.64810	0.8
59.89652	0.9
87.70187	1.1
95.51198	1.0
130.26300	1.0
151.82375	1.1
190.05237	1.3
190.39098	1.0
198.42992	1.0
216.53064	1.0
263.09393	4.6
265.08481	1.8
278.08151	2.4
281.08228	4.0
291.08875	51.7
292.09821	1.7
296.10608	7.1
297.11261	1.8
305.09189	10.6
306.10327	1.1
307.08148	1.4
320.09137	1.2
334.10788	5.3
340.11877	1.2
341.16202	1.6
344.38184	1.2
398.14438	1.2
437.11453	14.9
465.10577	7.6
524.00885	1.3
591.15027	1.2
594.13086	4.5
608.14258	4.2
620.14703	1.3
622.12836	1.2
636.13977	11.3
652.17047	100.0
652.38678	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	7.9
60.14979	0.4
66.71009	0.5
77.50520	0.4
82.47035	0.5
84.86855	0.5
86.80277	0.5
95.37348	0.4
113.41540	0.5
129.81071	0.5
193.33626	0.6
207.55264	0.5
236.14265	0.5
263.09354	4.3
265.08664	0.8
276.08865	0.5
278.08231	2.8
281.08023	0.7
286.50180	0.5
291.08893	47.3
292.09674	4.2
296.10449	1.1
305.09161	11.7
306.07407	1.0
318.07272	0.6
334.10776	1.1
341.16455	1.8
408.10977	0.6
437.11288	11.9
446.13080	0.5
465.10831	7.0
578.13440	0.6
590.13306	0.6
592.14899	1.7
594.12909	3.3
606.12671	1.1
608.14532	5.3
620.14319	2.9
622.12073	0.7
636.13995	8.8
652.17133	100.0
652.38525	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29032	0.6
58.06609	52.8
63.64292	0.5
64.52554	0.5
64.68950	0.6
132.52534	0.7
142.27846	0.6
146.91483	0.7
201.09204	0.8
215.85347	0.7
235.07556	0.7
235.52649	0.6
236.02200	0.9
257.41434	0.7
263.06915	0.8
263.09424	18.5
263.12003	1.0
265.08673	2.5
278.09381	0.9
281.08084	8.1
288.09195	0.8
291.08929	10.5
292.09766	1.1
296.10416	14.9
296.13367	0.8
297.11438	2.3
305.09494	2.3
315.16071	5.0
317.09573	1.0
318.07602	0.9
319.08554	3.4
320.09055	2.3
321.09866	0.8
329.76428	0.7
334.10602	6.6
335.11340	0.9
336.12399	0.9
341.16229	9.8
342.17163	1.1
345.13983	0.9
357.20627	0.7
408.10974	0.7
437.11417	38.1
455.28201	2.9
464.10336	3.5
465.10748	5.0
468.43784	0.6
552.13300	0.8
566.10956	4.3
580.12018	7.7
582.74017	0.7
592.13379	1.5
594.11407	6.2
607.12134	1.0
608.11884	16.5
609.12628	1.0
620.14795	3.3
624.14813	8.2
636.14075	8.0
652.16870	100.0
652.38721	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59605	0.2
56.34251	0.2
58.17999	0.3
61.49657	0.2
61.61515	0.2
69.59180	0.3
75.75171	0.3
93.97800	0.2
116.57491	0.3
123.68764	0.3
145.02856	0.4
146.02747	0.3
165.29414	0.3
174.05475	4.6
175.06166	0.6
177.05515	3.4
178.08636	1.1
190.08662	0.5
192.10182	0.5
208.09697	0.5
226.72479	0.3
248.05786	0.4
266.07153	0.3
274.55603	0.3
278.08145	1.7
295.08298	3.4
296.09125	3.1
298.07025	2.0
300.53763	0.3
313.09427	10.6
328.11786	100.0
364.34354	0.3
490.17059	27.3
628.75928	0.3
652.22375	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59605	0.2
56.34251	0.2
58.17999	0.3
61.49657	0.2
61.61515	0.2
69.59180	0.3
75.75171	0.3
93.97800	0.2
116.57491	0.3
123.68764	0.3
145.02856	0.4
146.02747	0.3
165.29414	0.3
174.05475	4.6
175.06166	0.6
177.05515	3.4
178.08636	1.1
190.08662	0.5
192.10182	0.5
208.09697	0.5
226.72479	0.3
248.05786	0.4
266.07153	0.3
274.55603	0.3
278.08145	1.7
295.08298	3.4
296.09125	3.1
298.07025	2.0
300.53763	0.3
313.09427	10.6
328.11786	100.0
364.34354	0.3
490.17059	27.3
628.75928	0.3
652.22375	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64203	0.5
58.06615	0.7
85.38561	0.6
94.45267	0.6
125.41508	0.7
139.62135	0.6
141.90848	0.7
147.04352	2.4
192.70622	0.6
210.28046	0.7
229.69426	0.6
285.07309	1.2
286.07773	1.1
290.08096	6.8
292.09506	3.4
301.58990	0.7
302.07791	4.6
303.08667	0.7
304.05847	7.3
304.09290	1.3
306.07724	0.8
315.51389	0.6
318.07632	6.7
319.08383	50.1
320.09216	5.9
321.09891	11.8
322.10172	1.3
334.10718	100.0
335.11032	1.3
336.12274	46.9
337.12564	3.0
338.13495	1.1
423.74347	0.7
651.34955	0.8
652.22052	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75280	0.3
54.21112	0.2
73.40782	0.3
76.69683	0.3
83.47520	0.3
83.97649	0.3
90.03470	0.3
99.04388	0.4
115.88020	0.3
137.05891	0.4
149.57104	0.3
165.05354	0.6
174.05424	0.3
178.04922	2.3
193.04906	0.4
242.63618	0.3
275.80258	0.3
276.06366	0.3
290.08072	11.0
302.08151	2.7
303.08838	0.6
304.06012	10.4
304.09467	0.3
306.07538	0.4
308.05859	0.4
308.09140	1.8
316.09497	0.6
318.07602	14.0
319.08383	56.9
320.09134	9.7
321.09320	0.7
322.10715	0.4
323.11636	0.5
324.12109	0.5
330.07822	0.5
334.10724	100.0
335.11072	1.6
336.12030	1.6
337.05576	0.4
344.09167	1.7
345.10056	0.7
352.08102	9.5
360.12228	2.4
370.09171	4.7
437.11334	1.1
438.12173	0.4
444.11053	0.3
451.13010	0.5
452.13809	0.4
453.14697	1.3
467.16147	2.2
472.10385	1.1
490.10748	2.6
634.22125	3.3
652.23181	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28859	0.2
63.97311	0.2
83.04917	0.2
145.10078	0.2
157.35645	0.2
264.93066	0.2
276.06540	0.3
290.08066	7.4
301.07050	3.6
302.07584	5.3
304.05966	7.3
318.07568	9.7
319.08362	48.0
320.09207	0.3
321.09836	0.3
334.10699	100.0
336.12085	1.5
337.12747	0.3
352.15530	0.4
463.12906	0.2
584.43701	0.2
634.21442	1.7
652.22833	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24930	0.2
56.03443	0.2
58.06577	0.4
85.30246	0.3
86.92636	0.2
107.12353	0.3
141.64481	0.2
152.05219	0.3
152.06502	0.3
210.75900	0.3
211.90221	0.3
276.06494	0.3
290.08124	7.1
302.08151	2.0
304.06003	6.3
318.07608	9.1
319.08395	45.7
320.09097	2.2
322.10580	0.4
334.10736	100.0
335.11182	1.1
336.12109	0.5
337.12775	0.4
338.13773	1.5
634.21930	1.4
652.22949	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95586	0.4
81.05158	0.4
100.60429	0.5
106.44086	0.4
110.41029	0.4
223.28659	0.5
278.55853	0.5
290.08194	5.4
302.08075	2.0
304.06046	6.3
318.07590	9.4
319.08383	49.0
334.10724	100.0
363.81973	0.5
523.57080	0.5
634.21906	2.0
652.22858	53.0
662.58759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57402	0.4
66.64639	0.4
70.63739	0.4
77.01192	0.4
105.68469	0.5
109.02926	0.5
126.98460	0.4
208.25963	0.5
290.08090	10.8
292.09653	0.5
302.08139	3.0
304.06027	7.9
308.09198	1.9
318.07614	13.4
319.08395	61.6
320.09183	33.4
322.10471	0.7
323.11389	0.9
334.10733	100.0
335.11307	0.6
336.12073	1.8
338.13477	0.6
344.09222	2.0
345.09784	0.7
360.12357	2.4
437.11630	0.6
451.12784	0.7
453.14429	0.7
467.16010	2.4
471.15128	0.5
615.21527	0.6
633.82941	0.5
634.21729	2.2
652.22925	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.23
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73307	0.3
62.68284	0.4
67.10538	0.3
71.20853	0.4
94.39699	0.4
103.02596	0.4
123.63170	0.4
219.82405	0.5
290.08133	8.1
302.08105	2.7
304.05991	9.0
318.07632	12.4
319.08380	58.3
320.09021	5.1
321.09622	0.5
322.10724	2.0
323.11490	0.6
334.10721	100.0
335.11160	0.8
336.12326	1.6
337.12982	0.6
338.13593	0.6
345.10321	0.5
358.76984	0.4
413.46176	0.4
634.21436	0.7
652.22986	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64203	0.5
58.06615	0.7
85.38561	0.6
94.45267	0.6
125.41508	0.7
139.62135	0.6
141.90848	0.7
147.04352	2.4
192.70622	0.6
210.28046	0.7
229.69426	0.6
285.07309	1.2
286.07773	1.1
290.08096	6.8
292.09506	3.4
301.58990	0.7
302.07791	4.6
303.08667	0.7
304.05847	7.3
304.09290	1.3
306.07724	0.8
315.51389	0.6
318.07632	6.7
319.08383	50.1
320.09216	5.9
321.09891	11.8
322.10172	1.3
334.10718	100.0
335.11032	1.3
336.12274	46.9
337.12564	3.0
338.13495	1.1
423.74347	0.7
651.34955	0.8
652.22052	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38283	0.3
66.72383	0.4
69.25871	0.4
92.76888	0.4
92.83787	0.4
117.32384	0.4
167.45183	0.4
197.88095	0.5
290.08133	3.7
292.09735	3.0
302.08182	1.0
304.06055	3.0
318.07623	5.0
319.08408	21.8
320.09171	100.0
334.10736	41.5
634.21942	0.6
652.22925	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45329	0.3
70.18245	0.4
83.54497	0.3
92.21542	0.4
115.19780	0.3
177.05402	0.4
194.05859	0.4
217.34274	0.3
221.98598	0.3
231.37006	0.3
275.90341	0.4
290.08063	9.2
302.08044	2.8
304.06061	8.5
318.07574	10.4
319.08386	55.2
320.09164	6.4
321.09671	0.5
334.10727	100.0
336.12326	0.7
604.16693	0.5
634.22168	1.2
652.22882	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81168	0.2
85.44840	0.2
128.94641	0.2
242.31039	0.2
292.09601	3.0
318.07547	0.8
319.72122	0.2
320.09161	100.0
334.10675	0.4
336.12180	0.4
352.08084	1.1
370.09180	0.3
430.70938	0.2
620.20441	0.4
652.22882	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39264	0.2
71.31059	0.2
117.62347	0.3
201.28690	0.2
272.06970	0.3
276.06668	0.3
290.08072	9.2
292.98666	0.3
302.08102	2.6
304.05978	7.6
304.09470	0.2
307.08139	0.4
318.03845	0.4
318.07565	11.6
319.08377	52.4
320.09131	3.2
321.09558	0.4
322.10571	1.5
334.10703	100.0
336.12207	0.4
346.10754	0.3
560.18152	0.4
634.21649	1.3
652.22858	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22125	0.3
68.23232	0.3
89.20120	0.3
174.32217	0.4
210.26102	0.5
259.67490	0.4
276.06247	0.7
290.08060	7.4
299.83170	0.5
302.08044	2.6
304.06085	6.4
318.07587	9.0
319.08389	45.0
334.10724	100.0
336.12268	0.7
576.20319	0.4
632.46735	0.4
634.21722	2.2
652.22888	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56466	0.2
52.57654	0.2
54.44115	0.2
58.95637	0.2
66.10059	0.2
68.11392	0.2
92.20914	0.3
105.43978	0.2
144.46475	0.2
148.19250	0.4
230.44518	0.2
275.47659	0.2
276.06256	0.3
290.08087	7.2
299.44684	0.3
302.07993	1.9
304.06015	6.5
308.09238	0.4
318.07562	9.2
319.08365	46.0
320.09113	2.5
322.10303	0.4
323.11594	0.3
334.10696	100.0
335.10739	0.3
336.12335	1.2
337.12527	0.4
338.13879	1.8
634.21918	2.0
652.22852	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06556	0.4
69.17761	0.3
70.73000	0.3
92.21548	0.4
102.55465	0.3
112.33060	0.4
150.80699	0.3
159.25359	0.3
222.81679	0.3
276.06616	0.4
290.05429	0.5
290.08151	8.4
302.08035	1.8
304.05997	9.3
307.08447	1.3
318.07596	11.2
319.08383	53.5
320.09384	2.5
321.09705	0.5
322.10773	2.5
334.10721	100.0
335.10953	0.4
336.12280	0.7
337.12769	0.5
427.00424	0.4
590.18762	0.5
630.42224	0.4
634.22009	1.4
652.22931	58.8
653.87787	0.4
682.58911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89190	0.3
63.35355	0.4
66.44175	0.4
67.62982	0.3
140.85481	0.4
145.02809	0.5
165.33795	0.4
177.05423	0.6
273.07773	0.4
290.08139	8.2
302.08063	2.9
304.06058	8.9
308.09122	0.6
318.07663	10.8
319.08395	51.1
320.09186	10.4
321.09512	0.9
322.10220	2.6
334.10736	100.0
336.11969	0.9
337.12836	0.5
338.13766	2.0
441.03912	0.4
459.74518	0.4
462.17529	0.6
583.66144	0.5
634.22986	1.0
652.22968	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	20.2
63.53778	2.2
63.73023	2.4
74.66861	2.4
95.08607	4.0
126.78825	2.4
265.08578	5.9
282.08878	4.6
297.11176	6.3
334.07019	4.4
334.10767	3.8
335.07797	12.6
350.10254	30.7
398.06339	6.0
413.08832	33.2
430.04846	2.5
432.14743	3.1
456.10803	36.0
549.35156	5.9
634.24323	4.5
652.24927	100.0
652.36859	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37858	0.1
53.23746	0.1
61.97439	0.1
73.08766	0.2
93.21494	0.2
99.04443	0.3
108.07689	0.2
175.81783	0.2
215.07259	0.2
274.05392	0.2
290.08115	1.4
292.09622	2.3
304.06033	1.2
308.09207	1.1
318.07660	2.2
319.08405	7.3
320.09171	100.0
334.10736	13.5
336.12302	0.4
338.13782	0.3
535.54340	0.2
652.26636	6.6
676.20898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37858	0.1
53.23746	0.1
61.97439	0.1
73.08766	0.2
93.21494	0.2
99.04443	0.3
108.07689	0.2
175.81783	0.2
215.07259	0.2
274.05392	0.2
290.08115	1.4
292.09622	2.3
304.06033	1.2
308.09207	1.1
318.07660	2.2
319.08405	7.3
320.09171	100.0
334.10736	13.5
336.12302	0.4
338.13782	0.3
535.54340	0.2
652.26636	6.6
676.20898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88016	0.5
54.11660	0.4
61.92491	0.5
92.21500	0.8
107.04956	66.9
121.06480	0.8
123.04446	6.2
143.04933	3.7
145.06467	8.7
149.05956	0.9
161.05968	23.4
161.07295	0.8
164.07016	2.5
171.92006	0.6
201.52812	0.6
209.09459	0.8
237.09116	4.2
255.10146	56.4
258.51144	0.5
264.81720	0.7
272.12799	100.0
321.51944	0.6
328.11685	3.2
328.15295	0.9
455.87427	0.7
485.91531	0.7
491.46405	0.6
505.70663	0.6
652.22485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88016	0.5
54.11660	0.4
61.92491	0.5
92.21500	0.8
107.04956	66.9
121.06480	0.8
123.04446	6.2
143.04933	3.7
145.06467	8.7
149.05956	0.9
161.05968	23.4
161.07295	0.8
164.07016	2.5
171.92006	0.6
201.52812	0.6
209.09459	0.8
237.09116	4.2
255.10146	56.4
258.51144	0.5
264.81720	0.7
272.12799	100.0
321.51944	0.6
328.11685	3.2
328.15295	0.9
455.87427	0.7
485.91531	0.7
491.46405	0.6
505.70663	0.6
652.22485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86626	1.9
56.96490	1.7
57.51732	1.8
58.06608	73.1
58.06890	4.7
69.03434	31.3
69.07044	2.8
76.02789	2.1
76.77420	2.1
83.04952	3.5
83.54128	2.4
87.04483	3.1
109.10165	4.4
121.44764	2.4
129.63983	2.4
135.11632	4.0
153.12758	9.8
183.53105	2.5
184.63721	2.2
201.09145	4.8
205.01418	2.2
213.09111	3.6
215.10675	14.3
227.10768	2.6
227.14206	3.2
238.61000	2.9
241.08492	2.4
253.15860	3.3
255.13794	13.8
265.08502	3.3
269.15439	19.3
281.07910	3.0
296.10446	11.3
297.11246	2.8
297.14734	9.8
315.15887	100.0
320.09268	17.7
321.10083	3.2
322.10672	3.6
323.11551	3.6
324.11523	3.0
334.10632	11.6
336.12265	13.3
337.12714	3.5
338.13550	3.6
339.14285	4.7
341.16040	4.8
400.90280	2.3
407.49814	2.4
437.26706	15.0
455.28134	29.4
468.72949	2.4
652.38544	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15115	0.4
58.06608	100.0
65.80471	0.4
67.60178	0.4
69.25275	0.5
70.46195	0.4
71.18228	0.4
72.15217	0.4
75.95808	0.5
80.05186	0.4
81.07097	0.7
83.27248	0.4
85.05000	0.4
109.10178	2.7
123.08721	0.4
153.12700	0.5
207.16721	0.5
215.10748	0.7
235.07492	0.7
237.09184	0.8
248.08490	0.6
250.09964	0.8
251.07196	0.9
255.13780	0.6
259.09766	0.9
263.07272	1.7
264.08002	0.9
265.08536	4.8
265.90674	0.5
267.10300	0.8
269.15387	1.1
278.09573	1.1
279.10303	0.5
281.08075	14.2
282.09012	0.9
296.10410	20.8
297.11282	3.6
315.15866	6.1
320.09534	0.6
326.13983	1.0
334.10712	0.6
341.16232	15.5
342.16891	4.0
399.21811	0.9
437.26883	1.1
455.27731	3.4
529.81927	0.6
652.38458	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	100.0
81.07057	1.2
90.88800	0.8
93.07072	0.8
109.63521	0.9
118.49516	0.8
121.10162	0.8
129.43303	0.9
147.28325	0.8
168.33025	0.8
209.09656	1.5
219.08133	1.1
235.07642	3.2
237.09102	9.3
245.50523	0.9
247.07454	1.0
251.10768	1.0
263.07010	0.9
265.08606	38.7
267.10165	1.1
273.09290	1.0
278.09198	1.1
279.10077	1.3
281.08154	13.7
282.08853	15.2
284.10385	0.9
292.09814	6.8
296.10419	23.5
297.11218	33.5
298.65683	1.0
299.12793	3.7
306.07855	1.1
311.13055	0.9
319.08295	7.0
320.09128	6.7
321.09915	16.4
322.10452	1.1
330.33215	1.0
334.10648	14.9
336.12305	52.6
337.12994	4.5
338.13632	1.1
341.16220	4.3
342.17007	34.0
352.15518	3.2
439.21796	0.9
652.26599	15.9
652.38409	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
55.05515	4.5
55.75562	2.7
67.05499	12.9
69.03441	3.7
69.07054	7.9
79.05500	8.3
81.03417	7.7
81.07034	11.4
83.04993	5.8
86.09705	24.5
88.03988	7.1
93.07047	15.7
95.08603	6.7
98.09700	4.5
99.04440	18.9
105.07052	6.2
107.08591	7.4
109.02857	4.7
109.10119	5.9
111.04433	5.9
119.08592	3.2
120.04483	49.4
121.10133	7.8
125.04727	41.7
128.10693	3.9
133.10088	3.7
135.11691	4.3
136.07576	5.1
138.05516	14.3
140.10698	7.4
145.10138	4.1
148.03996	5.7
150.09200	6.0
166.04979	13.5
176.10701	16.8
178.12274	22.3
178.79068	3.5
184.06010	5.4
194.11783	50.0
198.11198	4.1
212.12877	18.4
222.11369	13.3
230.13878	7.7
258.13330	3.9
328.17505	4.0
393.09674	3.9
588.38470	4.5
616.38391	100.0
624.28369	3.7
634.39539	87.6
652.39105	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
60.08164	4.2
61.23269	0.8
67.05480	1.1
69.07069	1.7
81.07080	1.0
81.97781	0.8
83.04964	0.9
84.82522	0.9
86.09718	26.3
93.65499	1.1
94.00824	1.0
99.04454	1.1
104.10730	1.4
125.00037	10.6
184.07344	100.0
318.07657	1.3
319.08713	1.1
320.09161	9.9
334.10699	4.6
336.12146	6.0
352.98129	1.0
392.95242	1.1
393.00449	0.9
553.38428	1.0
652.30701	10.0
652.41711	31.4
652.55170	1.6
682.85468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.05503	1.1
57.07088	12.6
67.05500	6.1
69.03429	5.6
69.07059	4.2
70.52786	0.8
71.00912	1.0
71.04987	4.0
71.08629	12.8
73.02917	12.6
79.05511	1.0
80.34323	0.9
81.03429	13.9
81.07067	9.3
83.05016	3.0
83.08625	5.4
85.02924	5.6
85.10178	7.5
87.04473	1.6
93.07021	1.5
95.08625	11.6
97.02903	16.6
97.10183	1.8
97.69834	0.9
99.04457	100.0
101.06005	3.8
107.27685	1.0
109.02879	9.5
109.10153	7.3
109.10828	0.8
119.08556	1.5
120.08829	1.0
121.10162	1.0
123.11723	3.5
127.03910	17.2
141.05470	4.7
145.04976	1.5
207.06671	1.4
225.07501	4.5
239.23697	5.1
243.08632	18.5
319.22470	0.9
328.46866	1.0
355.28607	1.3
383.28159	1.2
463.30313	3.6
481.31717	20.3
499.32700	20.3
623.94489	1.1
635.53839	1.2
652.27979	6.2
652.49658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70770	0.4
51.76204	0.5
58.06605	2.9
59.16563	0.5
61.12018	0.5
74.53255	0.5
88.82350	0.5
121.36625	0.5
137.05974	0.6
161.84248	0.5
162.11996	0.5
171.27586	0.5
185.63574	0.5
186.19115	0.6
204.72363	0.6
228.34848	0.6
319.08545	1.1
320.08859	1.1
321.09595	1.1
334.10855	3.4
335.10980	0.7
336.12350	4.4
337.12817	1.3
461.80048	0.6
539.15631	0.7
567.15265	0.6
569.16864	1.2
589.71979	0.7
595.14551	2.2
597.16650	5.0
623.14453	3.6
625.15997	14.7
651.13733	1.2
653.15424	100.0
653.37469	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1552
Annotation	Actinoplanone F
Peak:m/z	Relative Intensity
50.70770	0.4
51.76204	0.5
58.06605	2.9
59.16563	0.5
61.12018	0.5
74.53255	0.5
88.82350	0.5
121.36625	0.5
137.05974	0.6
161.84248	0.5
162.11996	0.5
171.27586	0.5
185.63574	0.5
186.19115	0.6
204.72363	0.6
228.34848	0.6
319.08545	1.1
320.08859	1.1
321.09595	1.1
334.10855	3.4
335.10980	0.7
336.12350	4.4
337.12817	1.3
461.80048	0.6
539.15631	0.7
567.15265	0.6
569.16864	1.2
589.71979	0.7
595.14551	2.2
597.16650	5.0
623.14453	3.6
625.15997	14.7
651.13733	1.2
653.15424	100.0
653.37469	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84964	0.9
58.06609	66.3
59.06943	5.9
68.05043	1.9
72.08155	20.8
82.60612	1.3
86.09721	2.5
110.99230	1.1
138.21986	1.2
139.12332	1.5
143.53589	1.2
167.11778	45.2
185.16499	6.8
195.11276	50.7
213.16025	2.4
281.08014	2.3
282.08603	2.2
291.08667	1.3
294.18167	12.9
296.10422	8.4
297.10931	5.5
308.09641	1.6
320.09039	1.4
334.10803	8.7
335.11169	6.8
341.16183	2.6
342.16721	5.6
407.26459	9.2
438.10184	6.8
506.33350	22.7
551.12866	2.0
567.11731	11.9
581.13519	23.0
593.13257	6.3
595.11450	18.1
609.12982	39.8
610.13507	5.2
623.63348	1.4
625.16064	15.1
653.15656	100.0
653.39191	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62403	0.7
57.09312	0.6
58.06606	13.2
59.06948	1.5
62.56062	0.7
73.70736	0.8
76.14149	0.7
77.60305	0.7
78.40840	0.8
145.90285	0.9
159.66165	0.7
162.40790	0.8
178.74654	0.8
214.87567	0.7
215.11072	0.8
249.57764	0.9
265.08600	3.1
266.08893	3.0
282.08633	1.8
296.10345	1.8
297.11163	4.4
298.11768	1.7
319.08414	1.3
320.09076	1.6
321.09796	1.0
334.10840	5.0
335.11166	1.4
336.12183	1.4
342.17004	1.2
343.17337	1.6
451.11029	1.1
466.12616	0.9
581.16992	4.1
592.14795	1.0
593.13721	1.2
594.14264	1.3
595.14935	14.9
609.16705	24.5
610.17218	1.4
621.16125	3.9
622.13776	4.2
623.14581	14.7
636.15082	0.9
637.16071	19.9
638.16852	14.4
653.19147	100.0
653.37317	14.1
672.59717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62403	0.7
57.09312	0.6
58.06606	13.2
59.06948	1.5
62.56062	0.7
73.70736	0.8
76.14149	0.7
77.60305	0.7
78.40840	0.8
145.90285	0.9
159.66165	0.7
162.40790	0.8
178.74654	0.8
214.87567	0.7
215.11072	0.8
249.57764	0.9
265.08600	3.1
266.08893	3.0
282.08633	1.8
296.10345	1.8
297.11163	4.4
298.11768	1.7
319.08414	1.3
320.09076	1.6
321.09796	1.0
334.10840	5.0
335.11166	1.4
336.12183	1.4
342.17004	1.2
343.17337	1.6
451.11029	1.1
466.12616	0.9
581.16992	4.1
592.14795	1.0
593.13721	1.2
594.14264	1.3
595.14935	14.9
609.16705	24.5
610.17218	1.4
621.16125	3.9
622.13776	4.2
623.14581	14.7
636.15082	0.9
637.16071	19.9
638.16852	14.4
653.19147	100.0
653.37317	14.1
672.59717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16412	0.5
58.06313	1.4
58.06608	38.8
64.27936	0.6
65.13601	0.5
65.85571	0.6
75.65418	0.6
77.45484	0.6
83.18246	0.6
90.35387	0.6
147.42621	0.6
197.33438	0.7
209.25012	0.6
219.08279	0.9
230.84239	0.8
235.07571	1.0
237.09082	4.7
243.45930	0.7
251.10690	0.7
265.08557	35.8
267.10123	0.7
268.09677	68.2
269.11771	1.0
278.11230	0.9
279.10150	1.1
282.08911	5.6
297.11188	46.8
299.12750	5.5
312.08615	7.4
322.43210	0.7
326.13919	1.5
340.15332	1.3
342.16989	100.0
355.07684	0.7
404.65689	0.7
486.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73206	0.2
82.30528	0.4
88.80528	0.3
93.76173	0.3
110.67567	0.4
118.06540	2.7
132.08101	1.7
144.08069	6.0
146.06012	36.1
159.09163	4.3
162.92082	0.4
170.05959	1.7
188.07069	100.0
205.09729	36.5
226.21411	0.4
247.53442	0.4
254.26733	0.4
329.12085	0.5
335.88596	0.4
450.00888	0.3
475.82431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77056	2.6
73.32379	2.6
81.43674	2.9
86.24546	2.7
121.25491	2.9
136.94522	2.9
184.78291	2.7
236.57208	3.0
384.10291	3.8
433.20197	3.3
447.21039	3.1
479.20480	5.4
493.22064	24.0
507.23984	10.5
517.22375	3.1
537.24573	13.6
551.23083	26.0
565.24030	11.8
566.25092	22.5
621.22711	4.9
653.26062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	1.1
60.39566	1.2
69.77544	1.3
72.80701	1.3
75.04492	2.2
93.07059	1.5
95.08610	2.3
97.53600	1.3
102.97099	1.4
107.08584	1.7
109.10101	1.5
120.75423	1.4
121.10115	1.5
291.03455	1.7
407.22098	2.3
421.20316	6.1
434.20901	5.9
435.21713	13.8
436.22610	2.1
461.23691	2.5
463.24887	1.8
465.19177	9.4
479.20724	20.0
501.19095	2.2
505.18652	3.0
515.20349	6.6
516.21497	2.2
517.22314	28.8
521.25250	7.7
537.24780	2.8
547.23145	6.5
549.24683	14.6
551.21924	10.3
566.25031	6.4
575.22809	7.1
607.25140	2.6
624.72784	1.6
635.25171	26.3
653.26019	100.0
653.43695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2858
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
51.12742	0.5
55.65506	0.6
58.06608	34.4
60.56607	0.7
62.62204	0.7
62.62553	0.6
96.33900	0.6
109.60950	0.7
120.05737	0.8
121.06538	1.1
177.05472	1.2
195.41098	0.7
201.66264	0.7
207.08118	0.9
217.12160	0.8
235.07568	1.3
238.06390	1.6
249.05602	1.4
252.07796	1.6
253.08687	0.9
263.07059	8.8
264.07870	1.0
266.05890	1.1
266.09512	1.1
279.06754	1.1
281.08084	79.6
283.09665	0.9
294.50262	0.8
295.09769	1.6
296.10434	71.0
321.09875	1.4
334.10901	1.1
336.12262	1.6
413.13580	0.8
548.20276	1.2
608.23004	1.6
653.28589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12742	0.5
55.65506	0.6
58.06608	34.4
60.56607	0.7
62.62204	0.7
62.62553	0.6
96.33900	0.6
109.60950	0.7
120.05737	0.8
121.06538	1.1
177.05472	1.2
195.41098	0.7
201.66264	0.7
207.08118	0.9
217.12160	0.8
235.07568	1.3
238.06390	1.6
249.05602	1.4
252.07796	1.6
253.08687	0.9
263.07059	8.8
264.07870	1.0
266.05890	1.1
266.09512	1.1
279.06754	1.1
281.08084	79.6
283.09665	0.9
294.50262	0.8
295.09769	1.6
296.10434	71.0
321.09875	1.4
334.10901	1.1
336.12262	1.6
413.13580	0.8
548.20276	1.2
608.23004	1.6
653.28589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.57948	0.7
53.91304	0.7
54.51587	0.6
55.37548	0.8
55.69202	0.7
62.33105	0.7
63.04528	0.7
99.92146	0.8
112.01861	0.8
121.13904	0.9
184.54660	0.8
204.33968	0.8
212.31448	0.8
415.91318	1.0
433.23917	1.5
447.21997	1.3
465.23123	1.4
475.21268	1.8
478.23871	1.1
479.24408	34.6
487.21176	1.5
491.20667	3.0
493.25784	3.4
501.23117	3.6
502.23822	1.3
506.27429	1.1
507.27588	18.2
519.24060	3.9
533.25592	5.3
537.25067	11.7
551.26465	35.4
561.24945	5.4
563.22797	1.4
565.28192	13.6
566.28735	22.2
593.28284	2.8
621.26715	3.9
653.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02469	0.3
54.48768	0.3
61.24018	0.4
65.54773	0.4
70.28850	0.4
80.45695	0.4
92.21323	0.8
93.06955	0.5
107.08460	0.5
107.86993	0.4
115.01657	0.4
118.69141	0.4
121.10113	0.4
171.41838	0.4
171.70830	0.5
174.60388	0.4
241.06680	0.4
311.44870	0.5
385.47299	0.4
493.10068	1.9
494.14481	0.5
495.15347	7.8
506.10748	2.8
507.10788	3.5
508.12552	2.2
509.09653	0.7
510.13220	0.5
521.13123	100.0
522.13947	4.5
535.14471	2.7
538.17047	0.6
553.15918	4.4
563.14532	2.2
579.13647	4.7
594.15710	0.6
595.16809	4.4
611.16925	0.7
622.14667	0.7
639.16028	0.7
654.18152	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42649	0.3
56.05156	0.3
81.61764	0.3
92.21604	0.7
95.42626	0.3
112.26712	0.4
137.59399	0.4
219.60825	0.4
230.64458	0.5
276.06409	0.7
289.97931	0.4
290.08078	7.8
302.08069	2.7
304.06036	6.9
318.07608	9.9
319.02914	0.5
319.08383	51.0
334.10715	100.0
372.12375	1.5
384.12048	0.5
385.89648	0.4
537.66876	0.4
654.21802	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68516	0.4
65.37085	0.5
76.68890	0.5
77.85598	0.5
87.44781	0.6
92.20941	0.7
103.37217	0.5
137.06052	0.6
259.26978	0.6
290.08124	6.3
302.08154	2.5
304.06107	6.8
318.07611	11.6
319.08386	53.4
320.09027	3.0
321.09726	3.0
322.10504	0.8
334.10730	100.0
335.11237	1.2
336.12180	9.6
492.20126	1.3
654.21863	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62103	0.5
137.06018	1.0
157.65498	0.7
161.37637	0.6
177.05493	1.3
189.05618	0.8
277.08411	0.8
285.11154	1.1
290.07986	1.0
292.09677	10.5
301.06937	2.7
301.10107	0.7
302.07492	4.8
303.07605	2.7
304.09937	1.1
306.07626	3.6
307.08545	1.0
318.07599	0.9
319.08405	7.0
320.09158	15.7
321.09924	28.0
322.10748	13.9
327.12137	1.0
334.10690	16.1
335.11200	3.9
336.12286	100.0
347.35092	0.7
347.62817	0.7
379.08093	0.7
470.92075	0.8
489.17261	0.9
508.05203	0.8
524.64838	0.7
533.83850	0.9
582.77356	0.7
654.24091	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07872	0.2
53.37265	0.2
82.59499	0.2
121.58969	0.2
131.38489	0.3
139.06659	0.3
147.77507	0.3
216.20450	0.3
275.09317	0.3
278.04825	0.3
278.07782	0.4
285.07526	5.9
292.09668	9.4
304.06372	0.3
304.09601	2.4
306.07562	3.8
307.08310	0.3
320.05396	0.4
320.09186	12.4
321.09949	28.3
336.12292	100.0
341.03348	0.3
342.61292	0.3
359.04382	2.4
377.05264	0.5
447.13135	0.5
635.19861	0.3
635.68091	0.3
654.24841	4.0
673.13757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86952	0.3
54.95054	0.3
56.22874	0.3
58.06554	0.3
67.50279	0.3
79.05449	0.3
79.89864	0.3
80.35287	0.3
105.03436	0.3
105.48399	0.3
106.90998	0.3
129.31070	0.4
131.04886	0.5
137.05962	0.4
138.89131	0.4
147.53912	0.4
163.07518	0.6
177.05415	0.5
292.09631	10.0
304.09637	2.0
306.07529	3.6
307.08170	0.8
319.08185	1.4
320.09152	13.6
321.09964	29.7
322.10703	6.8
334.10526	2.6
335.11014	0.9
336.12299	100.0
337.12729	0.6
338.13651	0.7
395.38025	0.4
408.32986	0.5
421.20523	0.4
654.24548	22.3
677.87451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86182	0.3
55.46171	0.3
58.06607	3.6
59.09078	0.3
59.27398	0.3
60.75360	0.3
63.36712	0.3
65.67618	0.3
69.99913	0.4
75.40555	0.3
78.22848	0.4
85.02893	0.5
86.79331	0.3
89.70901	0.4
102.90832	0.3
103.34495	0.3
121.06467	0.5
178.99138	0.4
184.91600	0.4
266.08792	0.5
292.09683	9.8
297.11252	0.4
298.11578	0.4
304.09686	0.8
306.07681	3.0
308.12540	0.5
320.09186	11.3
321.09933	27.5
322.10889	0.5
334.10687	2.1
336.12274	100.0
337.12845	2.8
338.13605	0.6
352.15329	2.9
654.23798	1.9
654.31152	2.6
654.40027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43428	0.2
62.41358	0.3
70.32199	0.3
71.64069	0.3
73.81973	0.2
149.72375	0.3
150.35429	0.3
161.24091	0.3
292.09634	8.4
301.06995	0.4
302.07654	0.6
304.10031	0.9
306.07550	2.1
320.09195	11.0
321.09918	30.4
322.09857	1.4
323.63342	0.3
334.10580	0.4
335.11206	0.4
336.12283	100.0
337.12708	0.4
432.08688	0.3
654.24115	13.3
666.03113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86952	0.3
54.95054	0.3
56.22874	0.3
58.06554	0.3
67.50279	0.3
79.05449	0.3
79.89864	0.3
80.35287	0.3
105.03436	0.3
105.48399	0.3
106.90998	0.3
129.31070	0.4
131.04886	0.5
137.05962	0.4
138.89131	0.4
147.53912	0.4
163.07518	0.6
177.05415	0.5
292.09631	10.0
304.09637	2.0
306.07529	3.6
307.08170	0.8
319.08185	1.4
320.09152	13.6
321.09964	29.7
322.10703	6.8
334.10526	2.6
335.11014	0.9
336.12299	100.0
337.12729	0.6
338.13651	0.7
395.38025	0.4
408.32986	0.5
421.20523	0.4
654.24548	22.3
677.87451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80240	0.2
54.14489	0.2
56.31360	0.2
56.69526	0.3
57.27731	0.2
63.66580	0.3
109.44293	0.3
121.01285	0.3
239.36758	0.3
268.05060	0.3
292.09698	10.0
304.09778	1.7
306.07681	2.3
320.09186	11.4
321.09970	27.3
322.10614	0.4
334.10712	0.7
335.11221	0.4
336.12302	100.0
338.13980	0.4
654.25104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21381	0.8
55.46961	0.7
58.06608	1.9
60.38805	0.8
69.03448	1.7
70.06590	1.3
81.03416	7.3
85.02930	1.4
90.92847	0.8
91.05491	4.8
93.08827	1.0
99.04456	3.9
107.04956	46.1
107.05679	2.0
109.02901	4.1
117.37563	0.8
119.04942	21.6
121.06535	1.1
121.36963	1.1
127.03891	1.1
132.31007	0.8
137.06027	5.5
143.04950	4.8
145.02859	2.1
145.06503	4.6
147.04402	25.8
147.05452	1.3
151.07628	1.6
157.03981	1.4
160.05212	1.1
163.07500	1.1
175.03905	81.8
175.07454	14.1
177.05539	5.2
178.08698	1.2
179.06995	1.5
207.06525	100.0
209.09656	3.3
213.72057	0.9
237.09094	9.2
269.11710	24.9
269.14349	1.4
284.12878	4.0
286.14371	31.4
286.17529	1.3
306.70169	0.9
322.10483	1.0
323.97620	1.0
336.12259	5.5
338.14124	1.2
351.10730	2.0
369.11896	5.6
654.25427	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21381	0.8
55.46961	0.7
58.06608	1.9
60.38805	0.8
69.03448	1.7
70.06590	1.3
81.03416	7.3
85.02930	1.4
90.92847	0.8
91.05491	4.8
93.08827	1.0
99.04456	3.9
107.04956	46.1
107.05679	2.0
109.02901	4.1
117.37563	0.8
119.04942	21.6
121.06535	1.1
121.36963	1.1
127.03891	1.1
132.31007	0.8
137.06027	5.5
143.04950	4.8
145.02859	2.1
145.06503	4.6
147.04402	25.8
147.05452	1.3
151.07628	1.6
157.03981	1.4
160.05212	1.1
163.07500	1.1
175.03905	81.8
175.07454	14.1
177.05539	5.2
178.08698	1.2
179.06995	1.5
207.06525	100.0
209.09656	3.3
213.72057	0.9
237.09094	9.2
269.11710	24.9
269.14349	1.4
284.12878	4.0
286.14371	31.4
286.17529	1.3
306.70169	0.9
322.10483	1.0
323.97620	1.0
336.12259	5.5
338.14124	1.2
351.10730	2.0
369.11896	5.6
654.25427	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92972	3.8
58.73172	3.2
84.07179	4.1
112.82187	4.5
166.57727	5.1
178.35072	5.1
204.47270	4.9
219.88142	4.6
227.51265	5.7
462.20209	5.0
522.19836	9.4
523.27209	7.3
537.22443	67.6
539.25714	5.4
551.26599	5.8
567.25647	23.4
595.25446	30.7
610.27667	5.6
613.23938	39.8
625.26239	10.8
654.26935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07383	0.9
64.62807	1.0
85.02915	1.8
88.25082	1.1
91.05473	1.2
109.81216	1.0
111.04445	1.0
117.03356	6.4
119.04935	9.6
121.06450	1.4
133.02852	21.4
133.06454	1.7
137.05984	16.7
145.02853	36.0
147.04414	11.6
149.05984	7.7
150.06778	2.5
151.03944	1.1
151.07529	1.7
161.05940	7.1
162.06781	2.6
164.56049	1.0
165.05472	5.0
167.07065	1.2
173.05951	1.8
175.03906	17.0
177.05455	100.0
179.07018	1.6
183.08041	1.4
189.05458	1.8
195.06502	1.4
201.05458	51.8
201.09172	1.6
203.06964	1.4
211.07539	2.5
213.05414	1.9
215.10657	5.5
228.07823	1.2
229.08531	1.6
231.06511	2.2
243.10138	12.6
261.05484	1.6
261.11288	1.9
265.08661	2.6
277.08691	2.0
290.05542	1.7
292.07248	2.1
293.07901	2.3
305.08258	7.3
307.09604	2.0
309.11411	1.3
319.08246	1.3
320.09061	5.4
321.09644	1.8
325.10788	14.1
334.10995	1.5
336.12146	4.6
337.10776	5.9
339.10678	1.2
355.11752	27.6
402.96609	1.1
405.15347	5.2
487.16257	1.4
517.16931	2.5
654.24768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	7.7
70.06591	6.3
72.78341	1.0
79.05508	1.1
81.03432	4.7
81.07090	1.7
84.04512	4.3
85.02914	15.5
86.06065	9.6
87.04469	13.7
91.05471	1.5
93.07060	3.9
97.02908	6.4
98.06050	18.6
99.04485	4.7
104.07127	1.3
106.06587	5.1
107.08635	3.9
108.04506	1.9
109.02863	7.9
109.06617	1.1
110.06087	2.1
111.04460	1.1
111.08054	1.1
116.07113	6.6
121.06495	4.0
121.10178	6.1
124.07642	1.7
125.04710	1.3
126.05526	5.8
127.03960	5.1
127.42270	1.0
128.07062	7.4
134.05994	8.3
137.06003	1.8
140.07103	1.5
145.02826	1.3
145.10173	4.5
146.08138	2.2
147.04369	1.3
148.07582	9.9
149.09673	1.7
163.11180	16.8
164.07069	1.1
166.08705	7.2
167.10651	7.9
169.08638	4.1
176.07062	63.2
176.52356	1.0
177.05530	4.9
181.12236	1.3
182.08084	8.7
188.12634	1.0
191.10707	5.6
194.08128	74.9
207.06610	1.5
212.09187	17.8
223.36681	1.0
230.10272	11.4
248.11258	8.7
420.19983	2.2
438.21198	7.9
456.22360	6.7
474.23480	10.5
492.24426	6.8
600.26654	6.0
618.27472	1.4
636.28491	19.8
654.29742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	7.7
70.06591	6.3
72.78341	1.0
79.05508	1.1
81.03432	4.7
81.07090	1.7
84.04512	4.3
85.02914	15.5
86.06065	9.6
87.04469	13.7
91.05471	1.5
93.07060	3.9
97.02908	6.4
98.06050	18.6
99.04485	4.7
104.07127	1.3
106.06587	5.1
107.08635	3.9
108.04506	1.9
109.02863	7.9
109.06617	1.1
110.06087	2.1
111.04460	1.1
111.08054	1.1
116.07113	6.6
121.06495	4.0
121.10178	6.1
124.07642	1.7
125.04710	1.3
126.05526	5.8
127.03960	5.1
127.42270	1.0
128.07062	7.4
134.05994	8.3
137.06003	1.8
140.07103	1.5
145.02826	1.3
145.10173	4.5
146.08138	2.2
147.04369	1.3
148.07582	9.9
149.09673	1.7
163.11180	16.8
164.07069	1.1
166.08705	7.2
167.10651	7.9
169.08638	4.1
176.07062	63.2
176.52356	1.0
177.05530	4.9
181.12236	1.3
182.08084	8.7
188.12634	1.0
191.10707	5.6
194.08128	74.9
207.06610	1.5
212.09187	17.8
223.36681	1.0
230.10272	11.4
248.11258	8.7
420.19983	2.2
438.21198	7.9
456.22360	6.7
474.23480	10.5
492.24426	6.8
600.26654	6.0
618.27472	1.4
636.28491	19.8
654.29742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62630	1.3
58.06600	3.0
61.43515	1.3
69.03425	2.3
69.07077	7.2
71.04979	1.7
81.07072	5.6
83.08650	1.8
85.02913	3.1
91.05486	1.9
93.07030	2.5
95.08633	2.0
97.02880	1.9
99.08058	1.6
107.08585	2.1
109.10157	11.8
110.20853	1.5
114.99891	1.8
127.11234	1.8
135.11714	6.1
149.05948	5.2
153.12758	13.0
161.58968	1.8
177.05489	5.9
187.11188	2.6
189.05583	2.0
189.09067	2.9
193.04909	3.0
199.85248	1.5
201.05450	2.5
201.09128	2.5
203.10696	7.2
205.05023	13.9
205.12209	3.5
213.09090	6.8
215.10637	19.6
217.12201	24.3
227.10658	1.7
229.08626	2.8
229.12152	6.4
231.10152	8.6
233.11722	23.6
241.08643	2.2
243.10193	22.9
245.11702	2.9
249.11220	26.4
257.15384	2.7
261.11209	33.0
269.15512	6.1
271.16898	15.1
273.18515	1.8
279.41553	1.5
281.15195	2.0
287.16220	2.1
289.88547	1.5
294.11182	7.6
297.11197	2.8
297.14798	1.5
299.16446	15.9
303.16122	2.7
315.16013	2.4
317.17480	100.0
319.08310	2.6
320.09039	8.6
322.10605	7.5
327.16031	5.6
334.10605	13.4
336.08408	2.1
336.12238	8.6
337.12582	2.9
337.21713	2.7
343.22595	5.2
345.17093	2.1
355.22733	6.0
371.22110	6.6
373.23520	2.8
383.22192	9.6
401.23145	41.3
552.96173	1.7
654.21967	9.7
654.39294	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05324	1.1
58.06607	79.5
59.39675	1.2
71.04993	1.7
72.27974	1.6
79.41774	1.5
80.52604	1.3
80.88916	1.5
81.07065	1.8
82.73112	1.3
94.83945	1.4
109.75927	1.7
109.91771	1.4
109.92543	1.4
135.11740	3.3
149.96754	1.3
153.12776	7.8
189.82132	1.7
193.81947	1.8
201.05412	1.7
201.09151	2.1
203.10754	1.5
205.05046	7.4
209.09653	2.2
215.10655	10.7
217.12215	10.6
229.12343	2.0
231.10205	6.6
233.11734	11.8
237.09157	8.5
243.10086	12.7
249.11333	2.2
261.11224	14.4
265.08588	44.5
268.00098	1.5
271.17075	7.4
281.08118	3.6
282.08951	9.0
296.10480	14.5
297.11218	36.9
299.13126	2.5
299.16501	6.2
317.17432	52.6
317.20865	2.2
334.10861	3.4
342.16953	21.7
383.22366	5.0
401.23224	18.0
654.40033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
53.39854	1.8
55.05529	2.9
59.67424	2.0
67.05499	10.4
69.03397	2.2
69.07072	4.8
71.04993	4.7
73.02921	18.6
79.05503	5.4
80.26552	2.3
81.03415	14.5
81.07071	13.3
85.02907	35.9
86.21148	2.3
91.05471	4.3
93.07053	5.4
95.08588	10.5
97.02894	10.9
99.04463	100.0
105.07046	5.1
107.08636	8.4
109.02913	3.0
109.10175	8.4
111.04480	2.6
117.05503	15.2
119.08584	3.6
121.10143	5.5
123.11689	2.9
127.03897	11.4
131.08548	3.8
133.10159	4.6
135.11722	5.5
141.05472	2.4
141.53481	2.1
144.86882	2.6
145.10066	3.1
147.11610	3.4
149.13217	3.6
157.10112	2.9
158.99609	2.3
159.11624	3.5
171.11678	2.8
173.13199	3.4
183.14798	2.5
243.08597	11.6
258.90240	2.3
261.22168	3.6
317.33334	2.9
320.09271	4.1
359.13226	18.5
369.24283	4.8
429.89041	2.4
456.03616	2.3
467.27621	3.8
485.28857	14.1
503.29871	8.5
524.71777	2.8
557.37817	2.9
585.88800	2.6
605.15393	3.1
654.34454	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85316	0.9
53.03954	8.1
54.52651	1.0
55.01875	1.4
55.05523	2.2
56.85675	1.4
63.94439	1.1
67.05513	12.2
69.03431	6.6
69.07064	6.4
71.04983	2.2
73.02916	28.1
73.84020	1.0
76.67480	1.1
79.05484	12.2
80.95961	1.0
81.03428	14.8
81.07063	15.8
83.04988	2.6
83.08615	4.2
85.02898	5.0
85.06543	1.4
87.04465	2.4
91.05482	10.3
93.07045	13.6
95.04973	1.7
95.08608	13.2
97.02887	11.2
97.06552	1.7
99.04457	100.0
105.07022	7.9
107.08591	11.0
109.02895	2.4
109.06525	1.8
109.10154	7.7
111.04440	6.2
117.05465	1.3
117.07002	6.1
119.08585	10.3
121.06444	2.4
121.10144	11.3
123.08087	2.0
127.03919	10.9
129.07004	1.5
131.08553	10.2
133.10123	7.7
135.11684	7.3
141.05432	2.1
143.08566	4.7
145.04916	1.6
145.10138	8.3
147.11664	6.9
149.13258	5.0
155.08595	1.9
157.10062	2.6
159.11723	7.4
161.09525	1.3
161.13235	1.9
169.10130	1.6
171.11671	5.9
173.13261	5.1
175.14772	1.4
185.09660	1.8
187.14825	1.6
197.13229	1.5
199.11131	1.4
199.14940	1.4
211.11206	1.5
243.08644	13.7
243.10802	1.6
259.20578	1.4
261.22147	6.7
264.87579	1.4
267.70990	1.2
269.43829	1.4
277.21588	1.4
277.74432	1.2
303.23013	1.5
327.22928	1.3
334.48309	1.3
341.24628	1.6
351.22845	3.8
369.24081	12.5
387.25256	6.1
405.26422	3.0
467.27902	12.2
485.28931	18.0
491.80542	1.5
503.29874	13.7
521.31177	5.2
606.20093	1.6
613.08636	1.4
654.42157	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39581	1.9
51.28445	1.9
53.03952	4.3
55.05494	2.1
58.06616	4.2
66.20585	2.0
67.05513	9.8
69.03439	3.9
71.04976	3.2
72.45502	2.0
73.02914	23.8
74.62576	2.1
80.30657	2.1
81.03436	15.6
81.07061	12.2
83.04980	2.3
85.02885	3.7
91.05474	3.9
93.07048	10.6
95.04981	3.0
95.08605	3.7
97.02889	8.7
99.04456	100.0
104.41515	2.9
105.07033	10.7
107.04945	2.9
107.08629	3.0
109.02888	5.2
109.06532	4.2
109.10172	3.6
117.07006	2.2
119.08551	4.3
121.06474	2.9
121.10153	4.0
123.08105	2.7
127.03902	13.6
128.02399	2.2
129.81871	2.1
131.08568	10.0
133.10114	11.8
135.08105	3.8
145.10104	5.6
146.28799	2.2
147.11690	11.8
151.11076	3.4
159.08032	4.7
159.11749	3.7
161.13234	2.9
173.50455	2.3
177.09036	3.4
187.11194	3.0
215.17935	3.0
229.19559	2.3
243.08603	15.4
257.19049	8.5
275.20068	51.3
293.21259	2.5
308.43042	2.9
319.08716	2.7
320.09152	31.3
321.09619	5.1
322.10236	2.8
334.10657	3.0
336.12219	22.1
338.13373	2.7
376.28632	3.1
383.22043	5.2
391.24902	3.0
394.29480	10.5
433.25446	3.0
466.81287	2.7
481.25677	4.8
499.26794	29.2
517.27936	22.5
535.29279	35.2
538.75836	2.5
654.29828	13.7
654.38354	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	100.0
59.06928	1.1
70.06620	1.1
70.33442	1.0
70.59907	1.0
76.98643	0.9
80.22717	1.1
86.09737	1.0
93.97540	1.0
96.56888	1.1
98.43682	0.9
107.40588	1.1
109.10143	2.0
128.66287	1.1
161.06049	1.1
189.09171	1.2
193.04939	1.5
204.38098	1.3
205.04977	1.8
215.10712	2.3
217.12331	2.3
219.08069	1.9
222.06953	1.3
229.01512	1.1
231.10231	1.4
233.11807	2.2
235.07613	2.1
236.04193	1.2
237.06873	1.4
237.08961	7.7
239.10706	1.4
243.10226	4.4
249.11122	8.0
261.11343	2.0
263.07303	1.3
263.61237	1.1
265.08566	38.2
266.09103	1.7
267.10260	1.5
269.12033	1.4
269.15323	1.2
278.09390	1.3
279.10098	1.9
281.08115	12.5
282.08835	9.6
284.10544	1.6
296.10419	18.4
297.11212	37.2
298.11481	1.6
299.12787	5.5
299.16226	2.2
317.17444	13.1
318.07782	1.4
319.08408	4.2
320.09229	4.5
321.09729	1.5
334.10645	11.2
335.11209	2.0
336.12296	7.6
337.12790	2.1
341.16306	4.7
342.16953	39.9
342.20773	1.7
401.23380	4.6
458.16113	1.5
479.81235	1.2
581.19775	1.2
654.21283	7.0
654.39978	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20046	0.5
58.06607	86.7
67.28661	0.6
81.83575	0.6
84.29729	0.6
86.18478	0.7
111.56748	0.7
133.18225	0.7
175.06409	0.7
191.08432	0.9
209.09727	0.9
219.07973	2.4
222.06682	0.9
233.06125	1.3
235.07625	1.2
237.09113	8.6
247.07483	0.9
250.09843	0.9
265.08569	41.2
269.11887	1.0
277.08719	0.8
278.09476	1.1
279.10275	1.6
281.08081	8.3
282.08844	9.8
284.10596	0.9
296.10422	22.5
297.11197	40.2
299.12869	4.8
311.12888	0.9
334.10730	2.7
341.16077	6.2
342.16989	34.5
354.09833	0.9
536.30011	1.3
654.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40765	0.7
58.06608	100.0
70.49417	0.7
73.68842	0.8
79.08115	0.8
137.06055	0.8
140.16705	0.8
205.97110	0.9
209.09837	0.8
219.08141	1.9
222.06715	1.0
233.06099	1.1
235.07660	1.8
237.09006	7.3
250.10052	1.1
255.10318	1.0
263.06918	1.6
264.07629	0.9
265.08569	42.6
266.09238	1.4
267.09976	1.2
278.09351	1.5
278.83920	1.0
279.10114	1.8
281.08060	13.0
282.08844	12.4
284.10303	2.8
296.10425	20.8
297.11209	40.3
299.12766	6.1
319.08466	4.5
320.09158	4.1
334.10739	9.6
336.12479	1.6
341.16299	4.5
342.17004	33.6
467.13388	1.2
536.30231	1.1
564.78058	0.8
580.16083	0.8
582.17267	1.4
595.14728	1.7
596.15192	6.4
610.16528	8.7
611.16034	1.0
622.16498	1.0
623.14282	1.8
624.14740	5.1
638.16339	9.9
639.17255	5.5
654.19598	46.6
654.39929	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	89.8
59.06928	0.8
67.35360	0.7
73.79732	0.7
77.16483	0.7
78.31641	0.7
88.33897	0.7
99.85784	1.0
105.14719	0.8
121.73134	0.8
189.86180	0.8
207.08147	1.0
219.08032	1.9
222.06721	3.0
235.07639	1.7
237.09039	10.4
265.08560	44.9
266.09158	3.8
267.09933	0.9
279.10187	1.5
280.36499	0.9
281.08145	9.8
282.08841	12.0
284.10516	1.3
290.07950	0.9
296.10461	14.1
297.11200	41.5
298.11340	1.4
299.12778	8.2
305.98108	0.9
311.12729	0.9
319.08414	1.7
320.09149	1.5
334.10773	5.7
336.12387	1.6
341.16306	4.4
342.17020	24.7
349.18176	0.8
536.30920	1.2
654.21796	4.4
654.39929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05830	4.9
67.05500	21.7
69.07063	6.4
73.02913	7.9
74.83204	5.1
78.97616	5.2
79.05502	8.7
80.97741	5.1
81.03468	6.9
81.07064	27.4
91.05498	7.2
92.21292	20.3
93.07039	8.7
94.89783	5.5
95.06855	5.0
95.08617	28.1
97.02920	9.4
97.06486	6.8
97.10162	7.5
99.04440	60.9
105.07030	8.1
107.08560	6.9
109.10206	6.1
119.08587	10.8
121.10152	12.3
133.10223	6.8
139.88226	5.4
155.72787	5.1
213.16483	5.2
229.49196	5.8
243.08582	23.3
336.12073	6.0
467.27789	10.5
485.28833	9.5
486.60312	6.1
490.23325	7.4
503.30081	11.5
521.31171	10.2
523.23175	7.1
654.26135	15.3
654.31781	9.8
654.42175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22769	0.7
58.06312	1.6
58.06607	49.4
59.06937	4.3
71.14177	0.8
95.33263	0.7
95.66743	0.8
123.25063	0.7
125.96533	0.8
130.19672	0.8
217.00053	1.0
219.07997	1.1
237.09172	4.3
238.09613	1.6
265.08536	14.7
266.08902	11.1
275.09399	17.7
276.10165	16.6
278.08487	1.2
281.08157	1.3
282.08673	4.4
283.09290	1.1
291.08868	0.9
296.10361	6.5
297.11050	17.2
298.11557	9.3
299.12668	1.0
300.13000	1.2
304.09653	99.0
306.11319	3.0
307.08362	14.9
318.07489	1.5
319.08374	1.4
320.09265	5.0
321.09567	1.6
334.10788	3.7
336.12241	1.0
341.16183	1.8
342.17041	9.4
343.17276	10.3
359.93823	0.8
422.10608	1.0
611.15698	1.0
623.14984	1.3
655.17078	100.0
655.40247	56.1
678.73004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	7.6
75.34762	0.6
84.99791	0.5
85.78171	0.5
123.54487	0.6
182.32307	0.6
265.08643	2.2
266.08926	0.8
278.08163	2.4
290.08109	0.8
297.11166	3.2
298.11502	1.0
304.06079	1.0
312.53043	0.6
318.07584	2.7
319.08395	4.5
320.08856	0.7
334.10693	8.6
335.10999	0.6
335.79849	0.7
342.16904	0.9
360.79236	0.6
394.10709	0.6
395.11682	0.7
409.09583	0.9
411.14972	0.6
422.10510	1.3
423.11047	0.9
424.11755	15.0
438.13248	2.9
439.13995	6.6
553.13855	2.5
565.13861	9.7
566.14954	1.9
567.15698	2.0
577.13916	0.8
578.14288	1.2
579.12091	2.3
581.13361	4.0
593.13373	11.5
594.14423	0.8
595.15051	5.1
596.15973	3.3
605.13629	0.9
607.11267	6.3
611.15460	1.1
615.08130	0.6
620.13483	0.6
621.12683	10.3
622.13660	21.5
623.14398	1.2
625.12830	2.3
637.16113	21.2
639.14075	2.0
640.14807	0.7
655.17108	100.0
655.40179	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86133	0.4
53.26723	0.5
55.91429	0.6
58.06607	29.9
59.06937	2.4
63.56652	0.5
70.95661	0.5
83.02406	0.6
93.11633	0.6
93.42995	0.6
114.81889	0.6
135.20789	0.6
191.44205	0.6
197.53191	0.5
237.09048	0.8
238.09505	0.6
265.08585	9.7
266.08850	5.1
275.09369	11.3
276.10190	14.2
278.08319	2.4
281.08002	1.1
282.08710	2.7
283.09143	0.7
296.10315	4.0
297.11087	8.4
298.11588	6.2
304.09671	100.0
305.09305	0.7
306.11258	0.7
307.08417	15.4
307.12024	0.7
319.08414	1.3
320.09268	2.7
321.09674	1.2
334.10797	3.7
342.16776	6.4
343.17322	6.6
623.14575	1.4
625.13123	0.8
627.17371	1.0
655.17114	96.6
655.27728	3.6
655.40253	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47070	0.5
54.36732	0.5
58.06607	1.0
60.35032	0.6
76.92573	0.6
93.53878	0.7
113.25562	0.7
127.07307	0.7
232.40039	0.8
278.08096	4.9
284.12115	0.7
306.07626	1.5
319.08472	1.0
320.05734	1.3
320.09085	9.9
324.23804	0.8
334.10733	2.7
336.12198	3.6
347.52881	0.7
374.07666	0.8
438.97232	0.7
543.28076	1.0
583.14941	2.7
611.14459	13.8
612.15619	6.7
639.13983	12.9
640.14722	29.3
655.17108	100.0
655.40277	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68497	0.7
58.06599	0.8
65.44569	1.0
67.55967	0.8
95.03857	0.8
108.67807	0.9
118.43099	1.0
133.30476	0.9
213.95650	1.0
243.35536	0.9
278.08209	5.7
306.07703	1.2
318.07532	1.3
319.08408	3.8
320.09106	8.5
334.10764	8.4
335.11108	4.2
336.12097	2.0
528.35236	1.2
571.73260	1.1
583.14441	1.7
611.14618	14.2
612.15265	6.2
637.37256	1.1
639.13922	15.0
640.14734	30.4
655.17035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54530	1.0
59.71579	0.9
61.68208	1.0
65.28871	1.0
65.35734	1.0
113.34671	1.0
188.17288	1.0
278.08136	8.2
285.86804	1.2
292.09668	1.4
306.07526	11.4
319.08502	1.5
320.09109	27.0
321.09851	5.8
334.10788	1.3
335.11301	1.2
336.12274	100.0
364.43121	1.2
655.20087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01804	0.2
52.20219	0.2
58.39133	0.2
59.33171	0.2
60.62399	0.2
267.87643	0.3
278.08060	0.3
290.08017	4.5
302.08145	1.4
304.05988	4.5
306.07587	0.5
318.07611	6.1
319.08377	35.6
320.09134	8.4
320.12781	0.5
321.09848	0.5
334.10712	100.0
336.12354	1.8
655.20807	6.5
655.30615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21004	0.2
55.46920	0.2
56.26652	0.2
68.45429	0.2
77.57342	0.2
97.15739	0.2
176.83214	0.2
178.41725	0.3
184.43768	0.2
194.14084	0.3
201.86482	0.2
276.06854	0.4
278.08310	0.3
290.08078	4.6
302.08182	1.8
304.06012	4.6
318.07541	5.8
319.08389	35.1
320.09235	2.1
321.09656	0.4
334.10730	100.0
336.12292	1.1
655.20544	6.7
655.30237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73613	0.2
59.40507	0.2
67.38509	0.3
75.39060	0.3
83.44228	0.3
100.26936	0.3
117.07195	0.3
121.64400	0.3
136.46873	0.2
164.92921	0.3
270.21783	0.3
290.08105	5.5
302.08145	1.4
304.06039	5.5
318.07605	6.5
319.08380	36.0
320.09122	2.6
334.10727	100.0
473.94824	0.3
583.51416	0.4
655.20691	7.4
672.17487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88543	0.5
57.07091	1.2
77.58020	0.8
78.99949	0.6
79.05474	0.8
91.05508	1.0
92.28065	0.7
95.08593	1.0
102.85502	0.7
107.08631	0.9
117.22958	0.6
131.08696	0.8
242.03526	0.8
313.27518	1.0
336.12393	1.2
437.19751	2.8
450.20450	3.8
451.21252	6.1
463.25711	0.8
481.18777	12.2
482.19385	1.3
489.23444	1.0
491.20483	0.8
495.20184	19.6
496.21194	3.3
505.23099	0.9
506.20135	0.8
507.24289	1.2
509.22079	1.3
517.18744	1.1
518.19525	1.1
521.18195	0.9
523.23535	11.3
524.24603	2.6
532.20917	1.0
533.21948	18.2
534.21777	0.8
535.19769	1.4
539.19250	3.7
551.23218	7.1
553.20752	9.9
567.22687	5.7
568.23163	10.3
577.20551	4.8
590.25494	0.7
595.22095	3.6
596.22675	0.8
611.25006	1.5
637.22412	5.4
655.24005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75894	0.7
55.05520	1.0
58.06605	36.8
59.06937	3.3
67.05498	0.8
71.08629	0.9
78.50739	0.7
81.07024	0.7
87.00790	0.7
88.70116	0.8
91.05486	4.1
93.07038	0.9
95.43342	0.7
97.10174	1.3
102.01799	0.7
117.03356	0.8
119.04950	4.0
121.06506	12.8
125.92500	0.8
137.05986	5.6
145.02841	14.4
149.05992	3.3
150.06708	1.5
151.07539	5.2
161.05937	1.6
164.07108	1.1
175.03899	5.0
177.05458	21.5
177.06903	1.7
187.04016	1.4
195.54919	0.9
201.05443	7.0
233.06015	1.8
233.75143	0.9
237.09134	3.6
247.07722	1.1
261.05374	1.0
265.08566	12.1
266.09027	4.7
272.18436	0.9
276.06659	0.9
279.10059	1.6
281.07971	1.3
282.08710	8.8
283.09171	5.8
290.08081	9.7
292.07269	5.5
293.08102	7.1
296.10474	4.8
297.11130	8.2
298.11484	3.7
301.47195	1.1
302.08350	4.1
304.06079	12.0
304.09369	1.4
307.09607	11.5
308.06763	23.2
310.08356	1.8
317.11636	1.2
318.07611	17.7
319.08414	40.5
320.09064	4.7
321.09607	1.3
323.09177	4.7
325.10626	15.8
334.10727	100.0
335.11002	5.7
336.06274	1.3
336.12405	3.6
342.16748	4.3
343.17236	1.9
351.08582	16.9
368.11234	1.1
424.11957	1.3
439.14136	1.7
442.20770	1.0
488.16855	5.2
492.20331	8.0
518.17950	4.5
531.23657	0.9
565.13788	1.9
567.14636	1.1
593.13043	5.8
595.15332	1.4
611.15698	1.0
621.12878	1.5
622.13593	7.7
637.16089	11.3
655.16742	41.1
655.25989	22.8
655.39923	71.2
655.73486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2756
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
52.26995	0.6
58.06612	12.2
59.06926	0.7
65.66196	0.7
68.78677	0.7
73.59364	0.8
83.24439	0.8
96.10891	0.7
102.44249	0.7
107.19260	0.7
238.09618	1.0
265.08566	5.2
266.08939	3.7
278.08243	0.8
282.08850	3.2
290.08038	1.8
292.09814	1.0
297.11203	5.5
298.11554	5.2
304.05957	3.2
304.09631	10.0
318.07596	3.5
319.08377	11.8
320.09067	11.6
321.09647	1.4
334.10742	27.3
335.10950	10.5
336.12158	1.8
342.16922	3.7
343.17404	3.5
451.18176	0.8
523.23309	8.5
537.24719	5.2
582.24524	3.6
583.25732	0.9
595.25122	3.0
596.26239	24.2
637.26337	1.5
655.16870	24.5
655.27338	100.0
655.39667	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2757
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
57.20097	0.5
58.45512	0.5
59.87521	0.5
60.62653	0.5
66.72123	0.6
93.07068	0.9
139.93550	0.6
158.50072	0.6
180.89998	0.6
191.99020	0.6
336.12283	0.8
421.19574	0.8
433.20636	0.8
434.21152	2.6
435.21872	4.9
436.22763	0.8
449.19855	4.4
462.20471	4.2
463.21442	4.2
464.22580	1.4
475.21420	1.1
479.20493	1.0
494.23242	1.0
507.24261	15.2
509.22000	0.9
522.22723	2.6
533.25586	1.4
535.23450	35.0
566.24323	0.8
567.26495	9.5
595.25470	29.5
623.88525	0.7
655.27625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39718	1.8
54.93821	1.9
78.12119	2.2
80.57818	2.1
89.35170	2.4
160.32904	2.8
173.45444	2.5
447.21860	5.3
475.21521	18.0
476.22543	4.0
477.22964	5.4
491.20154	2.8
503.20068	2.8
505.21884	3.4
510.54828	2.6
535.23120	3.0
547.23724	2.7
563.26385	19.5
609.26276	2.8
622.27893	100.0
637.27448	3.4
638.27167	12.4
646.87225	2.8
655.27472	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45933	5.4
75.25451	5.5
87.18098	6.3
115.22514	6.4
123.93037	6.3
164.70848	6.7
472.89587	7.3
475.20932	31.5
476.22067	8.5
563.26288	12.3
622.28033	100.0
638.26971	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50015	3.0
51.20216	3.0
51.45959	3.7
52.72742	3.2
55.01919	3.4
60.10069	3.4
67.05499	4.7
68.01128	4.0
69.01479	3.7
69.07056	3.7
70.02948	4.2
73.52773	4.5
75.09755	3.9
79.05497	8.4
81.03397	5.9
81.07063	7.1
83.08665	3.8
87.05588	17.6
91.05504	6.0
95.04930	4.6
95.08588	16.0
104.57888	3.8
106.06565	18.4
107.04955	15.0
107.28840	4.2
108.04512	4.2
109.02922	6.7
109.06483	6.7
110.06043	6.1
125.04732	6.8
126.05538	8.8
133.06033	4.4
134.06024	100.0
136.03902	7.3
136.07544	27.1
149.07085	7.3
150.05435	3.7
162.05507	15.1
177.06587	72.4
178.04924	28.0
179.08147	46.5
206.04504	8.5
223.07135	20.2
241.08212	6.0
320.09113	18.5
321.09564	8.1
335.11044	4.6
336.12271	16.2
337.12582	17.9
380.53909	4.1
393.77271	4.0
601.34784	69.7
619.35797	79.0
637.36462	24.3
655.36456	19.4
667.20795	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.4
57.03434	7.2
57.07085	53.9
57.81876	1.3
61.02924	9.0
67.05510	12.6
69.07084	13.9
71.08278	2.5
71.08637	51.3
73.02922	3.8
78.29836	1.6
81.07064	24.4
83.08625	17.8
85.02904	15.3
85.09718	2.5
85.10191	37.7
91.03931	15.1
95.08614	36.3
97.02894	7.6
97.10155	13.7
97.91357	1.7
99.11760	2.2
109.10172	21.5
109.27837	1.6
123.11707	9.5
129.01775	1.6
135.21033	1.5
145.04948	5.8
239.23654	14.0
257.24786	3.7
294.11234	16.3
306.07520	6.3
307.12045	2.2
313.27356	100.0
320.09210	16.3
321.09650	3.8
331.28424	63.2
334.10718	3.3
335.10947	2.7
336.12271	14.6
337.12503	8.3
473.57910	1.9
475.32471	7.2
597.12567	5.9
611.14661	3.9
625.12274	13.1
639.13898	3.0
640.13995	2.0
655.16980	42.1
655.34070	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	4.0
57.03436	9.0
57.06825	3.0
57.07083	57.3
61.02942	4.8
66.27009	2.0
67.05499	14.4
68.55222	1.8
69.07072	13.6
71.08270	3.5
71.08628	50.2
73.02897	3.2
73.74400	1.8
81.07064	23.8
83.08619	25.6
83.77657	2.0
85.02892	13.1
85.10181	37.1
91.03950	14.5
92.21485	3.4
93.07044	2.6
95.08598	44.3
97.02891	4.0
97.10154	10.2
109.10160	29.2
114.57761	2.4
116.79726	2.1
119.08569	2.5
123.11681	10.0
137.13251	2.8
149.09686	2.2
163.05995	5.1
167.06934	2.6
233.84901	2.4
239.23695	20.3
257.24701	9.4
294.31717	2.3
313.27341	100.0
331.28363	67.2
336.12234	3.8
337.12543	3.6
475.32349	4.2
500.45807	2.7
585.48047	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.0
57.03439	2.7
57.06824	3.8
57.07084	58.3
57.21716	1.9
61.02929	17.5
67.05499	8.5
69.03468	2.1
69.07071	16.8
71.08637	45.7
73.02907	2.8
79.05526	2.2
80.21033	2.3
81.07071	26.3
83.04980	4.9
83.08623	21.8
85.02902	21.9
85.10184	35.6
91.03948	25.9
93.07043	3.2
95.08604	40.3
97.02898	9.0
97.10168	12.2
104.90103	2.0
107.08610	3.1
109.10164	24.8
119.08603	3.2
123.11707	5.3
125.07438	2.0
127.03934	3.5
131.58452	1.9
136.22595	2.1
137.13290	2.9
138.94261	2.1
145.04926	5.1
150.63426	2.2
163.06023	4.2
197.26318	2.1
239.23567	16.1
313.11786	2.9
313.27362	100.0
331.28424	66.9
336.12152	4.7
433.81421	2.5
504.11285	2.1
527.90649	2.1
651.47089	2.6
655.32513	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13540	3.0
58.45219	2.9
74.80697	2.9
99.11354	3.7
132.10139	5.3
132.67015	3.5
153.03360	3.1
185.62711	3.4
391.77316	3.5
655.48895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06350	1.6
58.06610	23.3
59.06942	2.4
60.72357	0.9
60.79148	1.2
67.75288	1.1
71.88200	1.2
76.65803	1.1
89.47988	1.0
96.04971	1.1
116.53927	1.1
190.04996	1.1
198.85820	1.3
235.32082	1.3
265.08643	5.1
266.08911	6.8
267.09161	2.3
278.08557	1.4
282.08960	1.3
290.08102	1.3
297.11041	4.7
298.08151	1.2
298.11517	5.5
318.07492	1.3
319.08350	10.8
320.09152	7.1
333.45294	1.3
334.10739	25.8
335.11316	2.7
336.12253	6.8
342.16815	1.8
343.17227	4.4
344.17612	1.8
422.22095	1.5
424.11569	4.6
425.12152	9.8
439.14032	4.9
440.14328	4.9
554.14362	2.8
566.14020	10.8
567.15570	2.1
568.15906	1.3
580.13916	1.4
582.13995	5.5
594.13794	12.1
596.15155	4.9
597.16260	2.0
608.11499	6.4
611.14130	1.4
622.13336	8.9
623.13940	19.0
638.16180	24.8
640.14099	2.0
656.17358	100.0
656.27191	4.3
656.40375	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06350	1.6
58.06610	23.3
59.06942	2.4
60.72357	0.9
60.79148	1.2
67.75288	1.1
71.88200	1.2
76.65803	1.1
89.47988	1.0
96.04971	1.1
116.53927	1.1
190.04996	1.1
198.85820	1.3
235.32082	1.3
265.08643	5.1
266.08911	6.8
267.09161	2.3
278.08557	1.4
282.08960	1.3
290.08102	1.3
297.11041	4.7
298.08151	1.2
298.11517	5.5
318.07492	1.3
319.08350	10.8
320.09152	7.1
333.45294	1.3
334.10739	25.8
335.11316	2.7
336.12253	6.8
342.16815	1.8
343.17227	4.4
344.17612	1.8
422.22095	1.5
424.11569	4.6
425.12152	9.8
439.14032	4.9
440.14328	4.9
554.14362	2.8
566.14020	10.8
567.15570	2.1
568.15906	1.3
580.13916	1.4
582.13995	5.5
594.13794	12.1
596.15155	4.9
597.16260	2.0
608.11499	6.4
611.14130	1.4
622.13336	8.9
623.13940	19.0
638.16180	24.8
640.14099	2.0
656.17358	100.0
656.27191	4.3
656.40375	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71834	0.6
58.06602	0.8
60.53008	0.5
66.97576	0.5
69.03441	1.3
69.18063	0.6
81.03412	0.6
85.02896	4.0
89.70592	0.6
97.02894	1.2
100.58710	0.6
100.59560	0.6
107.04957	5.4
114.50230	0.6
126.60318	0.6
127.03899	1.0
160.07574	0.8
161.08455	0.8
174.09119	5.9
175.09906	37.2
175.11429	1.2
184.43471	0.6
187.09821	0.7
190.08607	12.6
191.09468	1.2
204.10207	1.2
280.13391	2.9
281.14087	26.1
310.14417	1.3
312.12186	9.1
315.59906	0.6
341.12546	15.4
342.13425	1.1
387.13098	100.0
388.13809	4.5
418.16214	0.7
448.17731	1.4
494.18027	3.4
549.18298	16.2
550.19330	10.0
635.77002	0.7
656.23352	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71834	0.6
58.06602	0.8
60.53008	0.5
66.97576	0.5
69.03441	1.3
69.18063	0.6
81.03412	0.6
85.02896	4.0
89.70592	0.6
97.02894	1.2
100.58710	0.6
100.59560	0.6
107.04957	5.4
114.50230	0.6
126.60318	0.6
127.03899	1.0
160.07574	0.8
161.08455	0.8
174.09119	5.9
175.09906	37.2
175.11429	1.2
184.43471	0.6
187.09821	0.7
190.08607	12.6
191.09468	1.2
204.10207	1.2
280.13391	2.9
281.14087	26.1
310.14417	1.3
312.12186	9.1
315.59906	0.6
341.12546	15.4
342.13425	1.1
387.13098	100.0
388.13809	4.5
418.16214	0.7
448.17731	1.4
494.18027	3.4
549.18298	16.2
550.19330	10.0
635.77002	0.7
656.23352	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51012	0.5
58.06607	5.7
69.03433	1.3
70.06588	0.6
71.46610	0.6
73.02896	0.8
85.02893	3.9
86.26836	0.6
97.02878	2.9
107.04959	8.0
109.02889	0.7
122.37916	0.5
135.04439	0.7
137.05991	1.0
143.29294	0.5
145.04845	0.7
160.07637	0.6
161.06021	1.0
161.08388	0.9
162.06694	0.8
163.03859	1.3
174.09100	6.0
175.09911	37.6
186.09128	0.8
187.10010	0.8
190.08615	14.3
191.09404	1.3
203.09412	1.3
265.08560	2.1
279.79733	0.6
280.13379	3.3
281.14102	24.5
311.11145	0.8
312.12253	11.6
341.12573	15.8
372.10699	0.8
387.13110	100.0
388.13928	3.0
403.12085	0.9
407.40125	0.6
418.16269	0.7
448.17511	1.3
494.18115	4.7
511.69141	0.7
549.18347	17.2
550.19220	11.1
638.24280	2.3
656.23370	69.8
667.53046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
61.39913	0.9
69.03442	1.2
69.62775	0.8
70.06590	1.5
72.04527	1.1
72.86497	0.8
79.05528	0.9
79.37817	0.8
81.03448	2.3
85.02913	1.9
86.06078	3.7
87.04453	8.3
98.06048	11.4
99.04453	2.3
104.07137	1.0
106.06577	1.7
109.02879	3.8
110.06071	2.0
111.04446	1.1
116.07092	13.4
117.03391	5.3
119.04982	4.9
124.03934	0.8
124.07650	1.9
125.04717	1.6
126.05528	3.9
128.07066	1.1
133.02875	5.7
134.06021	5.4
137.06004	6.2
138.09180	1.1
142.08667	1.1
145.02846	41.7
147.04395	7.2
148.07622	4.3
149.06046	2.1
151.07545	1.4
153.05487	4.4
158.08104	1.5
165.05434	1.5
166.08676	5.3
173.44380	0.9
175.03929	6.2
176.07048	23.0
177.05453	100.0
179.07059	1.6
180.07872	1.0
182.08186	1.3
190.91327	1.0
194.05672	1.0
194.06247	1.2
194.08107	20.5
201.05481	6.1
211.08299	1.3
212.09264	4.7
213.05569	1.1
223.02733	0.9
224.61617	0.9
230.10266	3.6
263.07333	1.1
305.07983	1.0
313.03659	1.0
323.09155	1.6
325.10663	3.5
341.10190	1.4
373.13196	1.2
423.15131	1.5
441.16281	1.2
459.17456	12.1
554.20038	3.6
572.21228	1.9
584.21478	5.6
590.22699	1.7
602.22101	10.1
608.23248	4.4
620.23462	15.1
638.24579	17.8
656.25519	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
61.39913	0.9
69.03442	1.2
69.62775	0.8
70.06590	1.5
72.04527	1.1
72.86497	0.8
79.05528	0.9
79.37817	0.8
81.03448	2.3
85.02913	1.9
86.06078	3.7
87.04453	8.3
98.06048	11.4
99.04453	2.3
104.07137	1.0
106.06577	1.7
109.02879	3.8
110.06071	2.0
111.04446	1.1
116.07092	13.4
117.03391	5.3
119.04982	4.9
124.03934	0.8
124.07650	1.9
125.04717	1.6
126.05528	3.9
128.07066	1.1
133.02875	5.7
134.06021	5.4
137.06004	6.2
138.09180	1.1
142.08667	1.1
145.02846	41.7
147.04395	7.2
148.07622	4.3
149.06046	2.1
151.07545	1.4
153.05487	4.4
158.08104	1.5
165.05434	1.5
166.08676	5.3
173.44380	0.9
175.03929	6.2
176.07048	23.0
177.05453	100.0
179.07059	1.6
180.07872	1.0
182.08186	1.3
190.91327	1.0
194.05672	1.0
194.06247	1.2
194.08107	20.5
201.05481	6.1
211.08299	1.3
212.09264	4.7
213.05569	1.1
223.02733	0.9
224.61617	0.9
230.10266	3.6
263.07333	1.1
305.07983	1.0
313.03659	1.0
323.09155	1.6
325.10663	3.5
341.10190	1.4
373.13196	1.2
423.15131	1.5
441.16281	1.2
459.17456	12.1
554.20038	3.6
572.21228	1.9
584.21478	5.6
590.22699	1.7
602.22101	10.1
608.23248	4.4
620.23462	15.1
638.24579	17.8
656.25519	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06571	0.5
64.77975	0.3
67.27724	0.2
69.07012	0.3
74.54135	0.2
84.79545	0.3
96.08081	1.1
99.04407	0.3
100.93317	0.3
111.82641	0.2
111.93976	0.3
114.09170	5.6
126.46820	0.3
150.31836	0.3
177.05513	0.3
179.77182	0.3
198.13942	0.3
209.16431	2.0
226.19231	0.4
227.17494	0.4
228.15903	1.4
292.09631	8.6
304.09686	1.8
306.07632	2.2
309.09900	0.4
320.09207	8.9
321.09940	26.0
322.24918	0.5
324.12329	2.6
334.10770	0.6
335.11270	0.3
336.12283	100.0
337.12759	1.2
338.13675	0.3
352.15286	1.0
544.86926	0.3
655.74988	0.4
656.00403	0.5
656.25928	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37282	0.8
57.03450	1.0
58.06607	41.6
63.58849	0.9
69.03432	4.8
75.96661	0.9
76.18747	0.9
78.69138	0.9
79.92284	1.0
82.60989	0.9
85.02908	8.4
87.04496	1.0
97.02904	3.9
98.21666	0.9
101.77851	0.9
102.24403	0.9
107.04955	3.9
135.04431	10.1
137.05992	1.4
153.05479	7.5
156.24246	1.1
158.86824	1.1
237.09302	1.3
261.09177	6.8
265.08578	12.6
272.76324	1.1
279.10211	1.2
281.07977	1.3
282.08841	22.1
289.08804	2.1
296.10504	5.6
297.11206	17.5
321.11313	1.5
342.17227	1.3
387.12393	11.8
399.12680	4.7
401.13870	1.6
403.11676	21.0
417.13379	1.5
434.13541	4.2
449.16177	8.6
494.21802	2.0
612.00269	1.2
656.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12030	0.5
57.46481	0.5
58.06613	31.3
69.03439	1.0
69.58894	0.7
70.06598	0.7
85.02919	3.5
92.21002	1.2
97.02911	2.8
98.68572	0.6
101.05795	0.8
112.26634	0.7
153.05495	5.2
153.98784	0.7
205.69084	0.8
234.98215	0.8
263.07138	1.6
264.07806	1.6
265.08569	5.5
277.08704	1.1
279.06589	1.3
281.08084	24.3
282.08939	3.2
285.76474	0.7
295.10147	1.0
296.10446	56.7
297.11356	4.3
309.11438	1.7
329.15915	1.5
374.11652	0.8
385.10730	0.8
389.13971	1.7
417.13318	11.6
434.13544	7.6
449.16168	4.2
463.62848	0.8
494.21826	3.5
603.47174	1.0
656.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37282	0.8
57.03450	1.0
58.06607	41.6
63.58849	0.9
69.03432	4.8
75.96661	0.9
76.18747	0.9
78.69138	0.9
79.92284	1.0
82.60989	0.9
85.02908	8.4
87.04496	1.0
97.02904	3.9
98.21666	0.9
101.77851	0.9
102.24403	0.9
107.04955	3.9
135.04431	10.1
137.05992	1.4
153.05479	7.5
156.24246	1.1
158.86824	1.1
237.09302	1.3
261.09177	6.8
265.08578	12.6
272.76324	1.1
279.10211	1.2
281.07977	1.3
282.08841	22.1
289.08804	2.1
296.10504	5.6
297.11206	17.5
321.11313	1.5
342.17227	1.3
387.12393	11.8
399.12680	4.7
401.13870	1.6
403.11676	21.0
417.13379	1.5
434.13541	4.2
449.16177	8.6
494.21802	2.0
612.00269	1.2
656.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	36.9
61.02944	0.4
61.55613	0.4
69.03434	2.4
81.03443	0.5
85.02899	4.5
87.04457	0.7
97.02919	0.8
109.02819	0.5
118.74883	0.4
125.99950	0.5
137.05974	0.5
156.07141	0.5
165.98553	0.4
189.56918	0.4
190.08545	0.6
192.10271	1.8
235.07616	0.6
238.06384	0.9
243.24408	0.4
251.07245	0.6
263.07138	1.8
264.07846	0.7
265.08603	3.5
266.09235	0.5
279.06607	2.2
281.08066	27.3
282.08868	4.2
283.09802	0.6
295.09735	1.6
296.10437	49.0
298.11975	0.9
311.09201	0.8
322.10501	0.5
336.12582	0.5
338.13818	0.9
343.13623	0.5
371.12750	0.8
385.10794	0.8
389.13974	1.0
399.12289	3.7
416.12619	0.7
417.13321	6.7
419.10876	3.3
431.15149	2.0
433.12769	0.8
434.13596	19.3
448.15146	0.9
449.15817	1.0
476.15002	0.9
494.22174	2.4
656.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	36.9
61.02944	0.4
61.55613	0.4
69.03434	2.4
81.03443	0.5
85.02899	4.5
87.04457	0.7
97.02919	0.8
109.02819	0.5
118.74883	0.4
125.99950	0.5
137.05974	0.5
156.07141	0.5
165.98553	0.4
189.56918	0.4
190.08545	0.6
192.10271	1.8
235.07616	0.6
238.06384	0.9
243.24408	0.4
251.07245	0.6
263.07138	1.8
264.07846	0.7
265.08603	3.5
266.09235	0.5
279.06607	2.2
281.08066	27.3
282.08868	4.2
283.09802	0.6
295.09735	1.6
296.10437	49.0
298.11975	0.9
311.09201	0.8
322.10501	0.5
336.12582	0.5
338.13818	0.9
343.13623	0.5
371.12750	0.8
385.10794	0.8
389.13974	1.0
399.12289	3.7
416.12619	0.7
417.13321	6.7
419.10876	3.3
431.15149	2.0
433.12769	0.8
434.13596	19.3
448.15146	0.9
449.15817	1.0
476.15002	0.9
494.22174	2.4
656.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	36.9
61.02944	0.4
61.55613	0.4
69.03434	2.4
81.03443	0.5
85.02899	4.5
87.04457	0.7
97.02919	0.8
109.02819	0.5
118.74883	0.4
125.99950	0.5
137.05974	0.5
156.07141	0.5
165.98553	0.4
189.56918	0.4
190.08545	0.6
192.10271	1.8
235.07616	0.6
238.06384	0.9
243.24408	0.4
251.07245	0.6
263.07138	1.8
264.07846	0.7
265.08603	3.5
266.09235	0.5
279.06607	2.2
281.08066	27.3
282.08868	4.2
283.09802	0.6
295.09735	1.6
296.10437	49.0
298.11975	0.9
311.09201	0.8
322.10501	0.5
336.12582	0.5
338.13818	0.9
343.13623	0.5
371.12750	0.8
385.10794	0.8
389.13974	1.0
399.12289	3.7
416.12619	0.7
417.13321	6.7
419.10876	3.3
431.15149	2.0
433.12769	0.8
434.13596	19.3
448.15146	0.9
449.15817	1.0
476.15002	0.9
494.22174	2.4
656.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12030	0.5
57.46481	0.5
58.06613	31.3
69.03439	1.0
69.58894	0.7
70.06598	0.7
85.02919	3.5
92.21002	1.2
97.02911	2.8
98.68572	0.6
101.05795	0.8
112.26634	0.7
153.05495	5.2
153.98784	0.7
205.69084	0.8
234.98215	0.8
263.07138	1.6
264.07806	1.6
265.08569	5.5
277.08704	1.1
279.06589	1.3
281.08084	24.3
282.08939	3.2
285.76474	0.7
295.10147	1.0
296.10446	56.7
297.11356	4.3
309.11438	1.7
329.15915	1.5
374.11652	0.8
385.10730	0.8
389.13971	1.7
417.13318	11.6
434.13544	7.6
449.16168	4.2
463.62848	0.8
494.21826	3.5
603.47174	1.0
656.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.32180	0.5
71.47302	0.5
73.02886	0.6
79.05493	2.2
81.07050	2.6
89.27875	0.4
91.05502	0.6
93.07036	0.9
95.08583	0.7
97.06529	0.6
99.04435	1.0
105.07022	0.8
107.04950	1.0
107.08585	0.9
109.02876	0.7
109.06505	0.8
109.83060	0.5
119.08558	0.7
121.10133	0.5
127.91990	0.5
133.10164	1.3
135.08066	0.9
145.06425	0.6
152.96019	0.5
153.30875	0.5
190.04916	1.0
261.18427	1.2
278.08075	2.8
289.17972	4.0
291.08899	2.8
302.70398	0.5
306.07559	12.3
307.08478	3.7
307.19052	3.4
318.07666	2.8
320.05527	16.5
320.08978	0.9
321.10031	0.7
322.10706	2.8
334.06921	3.6
335.07837	20.3
335.11591	1.0
336.12405	3.1
345.09833	2.3
350.10217	100.0
360.12286	9.1
548.22815	0.8
656.26825	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27941	0.3
53.03947	0.8
55.01896	0.4
57.03438	0.4
59.78675	0.3
67.05511	3.5
69.07067	0.3
73.82693	0.4
74.00417	0.3
79.05496	2.6
81.03427	3.4
81.06660	0.5
81.07067	5.2
83.04985	1.5
84.93376	0.3
85.01773	0.3
91.05477	0.6
93.07040	2.6
95.04990	1.6
95.08598	3.3
105.07045	0.9
107.04973	1.7
107.08611	0.8
111.04435	0.8
111.08077	0.5
117.07027	0.8
119.08627	0.4
121.06505	1.7
121.10165	0.5
123.08090	1.4
131.08557	0.5
133.10178	1.2
135.11696	1.8
141.07016	0.7
145.06494	0.8
145.10147	0.5
149.13229	0.6
159.08066	0.5
159.11717	1.8
169.10097	0.6
177.12791	0.5
187.11220	0.4
190.04935	0.8
201.91043	0.3
223.13347	0.6
241.14311	0.6
278.08240	1.5
279.53714	0.4
289.18103	0.4
291.08902	1.9
306.07581	7.6
307.08429	1.8
316.09637	3.5
318.07587	2.0
319.08398	0.8
320.05539	11.6
320.08731	0.5
321.10025	0.8
322.07220	0.8
322.10764	2.0
330.07608	3.1
334.07202	2.3
334.10687	0.4
335.04233	0.6
335.07880	11.7
336.12271	4.9
344.09164	9.2
345.09961	12.1
350.10233	46.0
360.12302	100.0
362.10168	1.3
386.09842	0.4
386.53174	0.3
400.11710	0.5
401.12387	1.2
416.14908	7.6
582.24634	1.5
600.25940	8.9
638.27338	0.7
656.29266	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05521	1.7
56.99844	0.7
57.03429	0.9
59.55119	0.6
67.05503	4.1
67.99088	0.7
69.07085	1.1
72.26288	0.7
74.13058	0.7
79.05493	1.7
81.03428	0.9
81.07053	7.2
83.04993	3.2
83.08610	1.1
86.02950	0.8
89.01764	0.7
91.05479	1.5
93.07040	3.1
95.08608	1.8
97.10157	0.9
99.04460	0.9
105.07027	1.2
107.04987	1.5
107.08609	1.9
109.06561	1.5
109.10141	1.4
111.04438	4.3
119.08586	1.3
121.10146	1.0
123.08082	0.8
131.08655	0.9
133.10127	3.2
135.08075	3.1
135.11766	1.1
145.06502	1.3
145.10168	1.0
147.11722	1.0
151.56662	0.9
161.09663	1.1
190.05035	1.1
242.04047	0.9
249.23022	0.8
261.18613	1.5
275.20456	0.9
278.08160	1.9
287.17838	1.1
289.18130	5.6
291.08936	1.3
292.66858	0.9
298.44220	0.8
306.07584	12.7
307.08478	1.3
307.19028	1.9
318.07629	1.5
320.05530	16.3
321.10022	1.9
322.07202	1.0
322.10822	4.0
330.07660	1.0
334.07263	6.6
335.07895	23.7
336.12314	5.7
342.07611	4.5
343.08215	1.2
344.09216	7.5
345.09906	5.1
349.09341	1.0
350.10245	100.0
351.52142	0.9
360.12329	23.3
370.07074	4.6
371.07874	6.8
372.08713	7.2
386.10248	21.3
387.10938	21.4
434.16025	5.2
461.29651	1.0
468.17987	10.8
548.22357	3.2
582.24994	13.5
590.28186	0.9
638.26831	3.6
656.28308	38.1
656.38696	2.1
656.51825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75468	1.0
55.01880	1.3
55.57587	0.8
58.28272	0.8
60.27967	0.8
63.60170	0.8
69.03418	3.9
74.52786	0.9
74.91237	1.2
79.53224	1.0
81.03419	5.1
81.07069	0.9
85.02911	3.8
91.05514	1.1
97.02909	4.4
105.07069	1.3
109.02859	3.8
111.04426	3.8
119.05000	1.0
121.06470	1.6
123.04471	1.3
127.03914	5.1
131.04890	1.5
133.06468	1.8
137.05988	100.0
143.04904	1.1
145.02841	6.5
147.04416	4.2
149.06000	4.6
151.03934	1.4
151.07552	10.0
154.69023	1.0
161.05966	25.5
162.06758	4.2
163.07523	10.1
163.13287	0.9
169.06471	1.8
171.08041	1.8
175.07507	12.2
177.05473	27.7
177.09123	1.2
179.07040	60.9
179.85078	1.0
183.07994	1.6
187.07515	3.9
189.05533	1.2
189.09149	6.1
191.06993	9.3
191.10678	1.5
193.08653	4.4
195.08218	1.3
197.05960	2.1
201.09099	8.6
203.07045	49.8
203.10663	24.3
205.08580	2.0
207.06505	1.0
209.08014	2.2
211.09639	1.2
213.09155	1.7
215.07030	5.7
215.10695	5.9
217.08546	2.2
218.26053	1.1
219.74803	0.9
221.08080	1.8
225.05510	1.1
225.09090	1.6
227.07062	1.2
227.10655	1.2
229.08614	6.5
229.12088	1.3
231.10184	1.9
233.08070	5.3
233.11632	2.0
239.10916	1.0
241.08786	1.5
243.10149	1.6
245.08136	1.2
245.11705	10.6
247.09714	1.0
247.13370	1.4
253.08517	4.5
257.08099	4.9
257.11880	1.4
263.12860	2.1
265.08569	3.6
275.09048	1.1
277.08585	1.4
283.09677	5.0
285.11215	12.6
287.09305	2.4
295.09610	1.9
297.11218	12.9
305.10446	1.5
307.09610	3.8
309.11188	3.7
311.12900	1.3
320.09384	1.8
321.10013	5.3
323.11194	10.5
323.36258	1.0
327.12210	10.2
336.12320	10.6
337.12796	1.6
338.13614	8.7
341.12848	1.3
359.14813	4.0
371.15030	5.9
377.12137	1.3
388.49753	1.1
389.15955	9.9
407.17004	16.0
453.15652	1.7
465.15665	1.1
471.16528	4.1
483.16513	4.1
489.17474	7.4
495.56116	0.9
501.17566	3.6
555.22089	1.9
656.25293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78017	0.8
54.39967	0.7
56.89161	1.0
58.06609	1.3
60.47078	0.9
63.90147	0.8
63.94740	0.9
70.36965	0.8
81.07028	1.4
91.05479	1.1
95.78183	0.9
121.06502	1.4
132.04504	1.1
135.04442	1.8
136.05211	1.3
148.05225	4.8
149.05977	15.2
162.05534	2.2
174.05440	1.3
175.06329	1.9
176.07072	38.1
176.08519	1.9
177.07849	9.8
190.52834	1.0
192.06552	50.6
194.08098	15.2
201.09105	1.4
203.10654	1.4
215.10693	14.8
229.12346	2.1
236.75842	1.0
241.12387	1.6
255.10233	5.9
271.09695	2.0
293.15491	1.1
295.17010	1.9
298.15588	2.1
307.16959	1.6
319.08469	4.9
320.09171	7.5
321.09781	7.7
322.10416	1.5
325.18213	1.7
334.10760	9.0
336.12238	20.7
337.12823	4.1
338.13461	3.2
355.19226	1.5
404.21915	1.7
522.43439	1.1
638.29755	1.6
656.30682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63092	1.8
52.67658	1.8
53.03958	4.0
55.05504	2.2
63.14231	2.0
67.05497	13.9
69.07098	2.5
72.89567	2.2
73.02912	14.6
79.05487	3.8
81.03403	10.8
81.07065	17.1
83.08613	2.7
85.02914	29.2
88.69200	2.2
91.05456	2.2
93.07037	4.8
93.76072	2.3
95.08598	13.0
97.02896	3.7
99.04459	100.0
105.07011	4.4
107.08554	2.5
117.05493	11.1
119.08586	3.2
119.75779	2.3
121.10082	2.8
123.11740	2.7
123.65626	2.3
127.03879	5.1
135.11743	2.8
145.10031	2.3
165.22498	2.6
206.59662	2.4
209.10365	2.3
243.08562	19.8
263.23737	3.1
309.43689	2.2
353.24478	3.0
359.13345	18.3
371.26248	3.5
389.26709	4.8
487.30478	12.8
509.20981	2.6
511.60303	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.5
53.14302	1.7
55.05511	9.0
57.07095	1.9
67.05506	16.2
69.03419	10.8
69.07068	7.9
69.30925	1.7
70.15485	1.8
71.05000	2.7
71.71954	2.1
73.02909	22.9
74.66056	1.8
79.05488	17.2
81.03432	17.1
81.07060	21.9
83.04971	2.8
85.02900	9.2
91.05473	14.6
93.07057	20.8
93.40875	2.0
95.04967	4.4
95.08611	23.3
97.02891	14.4
99.04453	100.0
105.07024	14.6
107.08621	15.6
109.06515	2.7
109.10152	8.7
109.90708	2.4
111.04470	5.3
117.07025	5.1
119.08576	17.5
121.10134	8.2
123.11710	3.6
125.09636	2.8
127.03912	14.7
129.07043	2.7
131.08548	11.4
133.10104	9.7
133.42152	2.2
135.11703	8.1
139.06068	2.1
141.05415	3.4
143.08553	5.0
145.10129	10.0
147.11693	10.0
149.13251	4.5
155.08614	2.9
157.10110	3.6
159.08028	2.2
161.13264	3.9
163.11285	1.8
171.11699	5.1
173.13321	3.0
182.93120	2.1
185.09837	2.6
185.13251	4.0
211.14899	2.2
243.08696	18.1
246.88577	2.0
261.22079	8.5
303.23047	2.3
349.35361	2.4
369.24133	14.7
387.25186	4.9
405.26248	4.3
412.17184	2.3
467.28046	16.7
485.28903	30.5
503.29929	15.5
521.19360	2.6
521.30951	3.9
560.36450	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	9.2
55.01888	2.7
55.05516	10.5
60.39858	2.0
67.05511	16.2
67.75844	2.2
69.03427	3.5
69.07063	9.9
71.05000	5.2
71.20860	2.1
71.70231	2.0
73.02911	12.6
77.60007	2.4
79.05500	16.0
80.70527	2.1
81.03439	23.6
81.07067	28.0
83.04974	3.4
83.08639	2.0
85.02893	13.5
87.86938	1.9
91.05476	17.0
93.07041	22.1
95.04967	10.1
95.08613	17.3
97.02879	3.7
97.10210	2.4
99.04457	100.0
105.07039	13.5
107.08604	13.9
109.06556	2.9
109.10170	3.7
111.04418	3.8
117.07013	10.1
119.08566	17.4
121.06514	3.5
121.10104	17.4
122.98082	2.3
123.04413	2.3
127.03954	2.6
129.07001	5.0
131.08530	17.0
131.83813	2.2
133.06502	2.6
133.10139	17.5
135.08043	3.0
135.11702	10.3
141.05429	4.9
142.07793	2.7
143.08549	12.4
145.06500	2.6
145.10109	22.6
147.11699	10.3
155.08562	3.7
157.10109	12.8
159.08003	3.8
159.11674	8.9
161.13300	4.2
169.10062	4.9
171.11716	11.5
173.13266	8.2
181.10016	4.1
183.11676	8.7
185.13242	10.8
195.11719	5.4
197.09637	2.7
197.13297	2.8
199.11345	2.5
199.14912	3.7
209.13248	4.5
223.14857	2.4
259.20456	5.2
306.07639	4.6
320.09103	18.4
321.09680	4.1
334.10812	4.9
336.12329	21.9
338.13724	2.8
349.21515	5.3
367.22693	15.4
385.23773	8.7
403.24805	4.3
465.26331	19.3
483.27411	61.1
501.28497	56.0
519.29871	17.1
547.52704	3.4
603.34558	3.7
656.34094	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
54.85533	3.0
55.05514	9.3
57.03439	3.5
60.36804	2.9
67.05506	16.7
69.03424	6.0
69.07072	7.0
73.02924	4.7
79.05497	20.3
81.03430	23.8
81.07080	28.4
82.50265	3.6
83.08613	5.5
85.02886	8.3
91.05465	20.7
93.07054	29.6
95.04981	8.5
95.08599	22.6
97.02890	6.5
99.04462	100.0
105.07037	30.6
107.05013	4.4
107.08591	7.9
109.10185	6.3
117.07021	8.8
119.08594	25.3
121.10150	18.8
123.11729	4.2
129.06976	4.9
131.08559	20.3
133.10143	22.6
135.08057	5.3
135.11703	8.1
141.05441	8.0
143.08559	6.3
145.10117	25.9
147.11752	5.1
149.13214	4.8
155.08586	4.3
157.10139	18.3
159.11697	18.2
161.13266	6.0
169.10101	6.8
171.11726	15.4
173.13289	5.5
176.91508	4.0
183.11737	4.8
185.09592	5.7
197.13274	6.0
212.21237	3.9
243.08839	4.4
250.35988	3.9
287.14825	4.0
290.27066	7.5
301.21625	5.5
320.09161	3.9
321.13907	4.6
336.12241	25.1
349.21317	6.9
350.10364	4.7
367.22684	23.8
393.18753	4.9
465.26022	19.3
483.27170	45.9
501.28479	46.3
519.29340	19.1
585.34436	5.0
603.35577	4.7
607.21753	4.0
656.27563	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90553	2.1
52.08908	2.0
53.03956	4.6
55.05511	3.9
57.07089	2.5
61.39013	2.3
66.15013	2.2
67.05517	18.1
69.03440	3.6
69.07069	11.5
71.05043	2.8
71.08626	2.7
72.81377	2.6
73.02586	2.4
73.02918	26.5
73.12502	2.4
76.02254	2.3
79.05500	5.5
81.03413	11.1
81.07062	20.8
85.02891	4.5
91.05468	3.3
93.07030	10.5
95.08625	22.4
97.02901	12.0
99.04462	100.0
105.07066	4.2
107.08600	5.3
109.10160	10.9
111.04410	3.0
119.08528	3.6
121.10146	5.4
127.03952	11.4
131.08592	2.5
133.10146	4.2
161.13252	4.6
162.67177	2.7
163.11089	2.4
243.08676	22.2
263.23630	3.8
292.93219	2.6
320.09204	4.3
334.10660	3.6
335.11646	3.1
336.12491	3.1
352.15302	4.0
353.24643	4.6
371.25888	13.9
389.26758	15.0
407.27649	3.3
469.29465	12.2
487.30713	22.8
505.31100	17.6
540.31464	3.1
656.37384	4.8
656.49054	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40918	2.1
53.03944	3.7
55.05521	4.4
57.03426	3.7
57.46725	2.0
67.05508	17.8
69.03418	10.1
69.07060	3.9
71.04975	2.5
73.02910	15.1
74.94067	2.3
79.05478	12.9
81.03407	19.4
81.07056	24.5
83.04956	2.7
85.02911	10.3
85.06535	2.8
91.05472	12.3
93.07051	24.2
95.04948	3.4
95.08591	13.1
97.02900	6.1
99.04454	100.0
105.07034	16.2
107.04931	4.0
107.08592	14.7
109.06504	4.1
109.10160	10.9
111.04402	2.8
117.07009	9.8
119.08630	18.0
121.06464	3.6
121.10119	13.2
127.03960	3.1
129.07018	9.5
131.08556	14.4
133.10126	14.2
135.08054	3.3
135.11754	3.8
137.06023	24.5
141.05437	5.6
141.06972	3.0
143.08580	10.1
145.10121	16.6
147.11691	11.2
149.13284	3.7
155.08566	5.1
157.10101	4.5
159.11632	11.6
161.09570	3.9
169.10100	9.9
171.11702	13.7
173.09648	6.0
173.13226	4.6
183.11743	10.7
185.13383	5.5
197.13268	3.2
212.83447	2.7
243.08658	14.1
259.20676	3.4
277.17929	13.1
277.21518	3.4
289.10260	3.0
291.19556	3.0
301.21774	3.8
308.12421	2.8
321.09723	2.9
336.12277	17.9
364.11276	3.1
367.22781	13.3
373.22961	2.6
385.23999	4.8
465.26297	17.0
483.27484	39.3
501.28659	39.4
510.19119	3.0
519.29181	13.8
552.39435	3.0
615.20972	3.7
638.27429	2.9
656.27338	16.0
680.39972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61140	2.5
53.03946	4.6
55.01881	3.1
55.05504	7.0
67.05509	19.7
69.03418	3.1
69.07071	20.1
71.05001	4.8
73.02921	34.1
79.05499	16.9
81.03437	24.2
81.07042	24.1
83.05011	3.9
83.08606	5.8
85.02891	3.8
91.05495	12.8
93.07039	18.9
95.04967	19.6
95.08612	17.7
97.10172	5.4
99.04460	100.0
105.07030	13.4
107.08594	22.9
108.15759	3.5
109.02868	5.9
109.06490	3.2
109.10154	7.9
119.08614	4.8
121.10127	13.9
125.09659	3.9
127.03934	15.3
131.08623	3.1
133.10147	16.9
135.11653	3.5
140.62898	2.9
141.05447	3.5
147.04416	15.7
147.11694	6.7
151.11198	19.0
158.83018	3.4
161.13266	5.9
165.12749	5.0
171.11693	6.5
173.13310	3.9
175.14825	3.8
179.06880	3.7
184.09853	3.1
201.44096	3.1
215.14282	4.2
231.21037	3.2
233.15288	5.2
237.80054	3.8
243.08638	19.7
274.27386	5.0
277.21677	64.1
292.09457	4.1
320.09128	13.4
321.09875	16.2
322.10312	3.6
334.10611	5.0
336.08539	5.6
336.12326	84.8
337.12543	4.6
338.13391	4.6
435.27216	3.7
455.71353	3.3
465.28189	3.4
501.28513	16.9
519.29419	17.7
537.30505	48.7
546.73169	3.4
656.35449	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43666	2.0
53.03951	4.5
55.05511	5.8
57.07075	3.2
58.25212	2.6
67.05502	17.1
69.03429	3.4
69.07051	4.4
71.04988	2.5
71.14092	2.3
71.22215	2.9
73.02916	15.1
79.05495	14.5
81.03417	16.9
81.07046	17.7
83.04997	5.0
83.08567	3.3
85.02915	6.1
91.05491	13.7
93.07044	19.1
95.08609	23.7
97.02894	13.4
97.06525	3.3
97.10203	2.5
99.04451	100.0
105.07034	15.2
107.04952	3.2
107.08598	17.6
109.06511	3.9
109.10143	15.0
117.07004	3.4
119.08591	18.7
121.10130	12.7
123.08044	3.0
127.03954	4.1
130.81927	3.5
131.08528	5.7
133.10118	10.7
135.08018	2.9
135.11780	7.9
135.69673	2.3
138.62317	2.8
141.05539	3.2
143.08510	3.3
145.10109	12.2
147.11650	3.4
149.09557	3.5
149.13286	2.8
157.10065	5.6
159.11661	10.1
161.13263	3.5
162.44142	2.9
191.29858	2.6
214.08633	3.0
239.85010	2.5
243.08656	3.1
245.36191	2.8
261.22165	3.4
303.22922	3.9
322.39020	2.9
325.68488	2.8
341.24414	2.8
351.22998	6.0
369.24109	10.8
387.25284	5.7
405.26431	5.4
423.27274	2.9
467.27927	3.5
485.28711	18.0
503.29684	16.8
521.30774	3.4
656.31494	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	6.0
55.05521	10.0
62.76466	0.5
67.05508	5.8
69.03441	3.7
69.07066	2.8
71.04996	2.1
79.05496	3.3
81.03422	11.4
81.07068	8.8
83.04984	37.4
83.08634	0.9
85.02909	5.1
85.06586	0.5
91.05469	2.2
93.07048	5.2
95.08618	6.6
97.02896	4.7
97.06530	0.6
99.04459	100.0
105.07039	2.7
107.08615	4.6
109.02916	1.1
109.06536	0.8
109.10143	5.4
117.05486	8.2
117.06978	0.9
119.08575	2.4
121.06499	1.0
121.10135	3.8
123.11716	2.4
123.25050	0.5
127.03895	2.4
131.08588	3.9
133.10172	1.7
135.11693	2.5
145.04996	1.2
145.10144	3.1
147.11722	1.1
149.13255	1.1
149.36824	0.4
157.10182	0.7
159.11703	0.9
161.13284	0.6
163.11147	0.7
173.13164	0.6
187.15047	0.8
192.06555	0.5
243.08614	1.0
243.21077	0.7
261.09631	5.3
261.22025	1.9
274.27383	0.9
277.21613	2.7
279.23196	4.8
294.62006	0.5
336.12204	2.2
343.26422	3.9
343.30249	0.7
360.12320	3.1
361.27292	10.9
363.63187	0.6
379.28549	2.3
621.36652	2.4
656.28162	0.7
667.62878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.05519	8.5
67.05499	8.0
69.03439	4.0
69.07066	1.8
71.04998	2.3
71.08637	17.1
73.02927	19.5
79.05503	9.6
81.03410	17.8
81.07079	13.9
83.04980	2.5
83.08639	2.5
85.02911	4.0
91.05495	13.7
93.07058	29.9
95.04971	2.5
95.08617	13.0
97.02921	4.5
97.06511	2.4
97.10181	2.9
99.03820	3.7
99.04462	100.0
99.08086	13.3
105.07050	10.0
107.04944	3.6
107.08612	8.7
109.02894	12.6
109.10158	2.9
109.19122	1.8
117.07014	2.9
119.08582	4.2
121.10160	10.4
127.03896	18.3
129.07060	2.3
131.08580	4.2
133.06480	2.3
133.10133	11.0
135.11713	10.7
135.70551	1.8
141.05493	3.3
143.08632	2.0
145.10114	1.8
147.06013	2.1
147.11716	9.7
148.48543	1.8
149.13264	8.5
151.11176	12.2
161.13264	11.9
163.11194	3.0
163.14799	2.5
167.10648	2.9
171.11801	2.5
173.13232	2.0
179.14281	9.3
185.13271	2.6
218.38588	1.8
221.15395	2.4
243.08644	14.9
269.15308	2.6
274.13983	2.1
274.27390	3.0
277.21616	30.4
287.16391	16.4
320.09152	11.5
321.09698	4.5
322.10715	23.3
336.12283	63.1
337.12570	3.6
338.13367	3.9
350.10162	3.6
385.19778	18.1
393.26413	8.9
403.21185	8.7
435.27179	1.9
483.27042	4.3
501.28610	16.4
519.29694	21.0
537.30597	40.9
589.06970	2.1
656.35168	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61140	2.5
53.03946	4.6
55.01881	3.1
55.05504	7.0
67.05509	19.7
69.03418	3.1
69.07071	20.1
71.05001	4.8
73.02921	34.1
79.05499	16.9
81.03437	24.2
81.07042	24.1
83.05011	3.9
83.08606	5.8
85.02891	3.8
91.05495	12.8
93.07039	18.9
95.04967	19.6
95.08612	17.7
97.10172	5.4
99.04460	100.0
105.07030	13.4
107.08594	22.9
108.15759	3.5
109.02868	5.9
109.06490	3.2
109.10154	7.9
119.08614	4.8
121.10127	13.9
125.09659	3.9
127.03934	15.3
131.08623	3.1
133.10147	16.9
135.11653	3.5
140.62898	2.9
141.05447	3.5
147.04416	15.7
147.11694	6.7
151.11198	19.0
158.83018	3.4
161.13266	5.9
165.12749	5.0
171.11693	6.5
173.13310	3.9
175.14825	3.8
179.06880	3.7
184.09853	3.1
201.44096	3.1
215.14282	4.2
231.21037	3.2
233.15288	5.2
237.80054	3.8
243.08638	19.7
274.27386	5.0
277.21677	64.1
292.09457	4.1
320.09128	13.4
321.09875	16.2
322.10312	3.6
334.10611	5.0
336.08539	5.6
336.12326	84.8
337.12543	4.6
338.13391	4.6
435.27216	3.7
455.71353	3.3
465.28189	3.4
501.28513	16.9
519.29419	17.7
537.30505	48.7
546.73169	3.4
656.35449	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04093	2.5
52.10971	3.0
56.85654	2.6
57.48671	2.9
67.05505	20.8
69.07076	12.4
71.54222	3.4
76.13826	2.9
79.05498	17.7
81.07071	29.3
83.08585	3.8
84.13696	3.3
91.05477	21.3
93.07049	20.1
95.08601	21.6
103.05460	13.4
105.07033	22.1
107.04998	8.1
107.08582	6.8
109.06549	3.7
109.10137	6.0
110.06113	3.3
119.04932	14.8
119.08603	7.4
119.11538	3.3
121.10144	14.7
131.04915	58.2
131.08571	6.3
133.06543	11.8
133.10101	4.5
135.08044	4.0
135.11668	4.3
137.05980	100.0
139.11150	3.5
143.08640	3.3
145.10109	7.0
147.04489	3.5
147.11703	8.4
149.05977	4.8
151.07549	27.1
161.06001	31.5
161.09579	7.8
161.13258	3.8
163.07516	20.7
174.91898	3.7
175.07567	7.6
177.09097	8.0
187.07480	7.1
189.09106	31.0
203.10597	3.9
219.10132	5.4
220.45622	3.6
253.12259	7.6
261.22156	21.2
283.13205	4.9
297.11234	7.4
311.12839	17.1
343.15250	4.4
361.58948	3.6
368.90265	3.3
467.31473	14.9
490.12454	3.7
591.37091	47.7
603.37366	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30613	9.7
70.30979	11.6
71.08614	21.1
72.77941	11.6
81.07060	12.9
95.08607	19.2
97.10189	11.4
99.08119	24.4
101.43457	10.8
144.72870	9.6
334.10684	10.9
369.26123	87.0
534.18384	12.2
579.46130	21.8
604.90173	14.7
620.45813	12.7
656.29791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16520	2.4
57.07084	35.2
58.54395	2.5
62.35105	2.5
69.07066	3.7
71.08646	42.5
73.06565	4.3
83.08634	4.7
85.10181	17.2
87.04467	3.7
89.06034	100.0
97.10196	3.6
101.63139	2.7
102.06037	3.0
112.87579	2.4
117.09136	3.9
128.19206	2.8
133.08615	32.9
138.43243	2.7
177.11256	12.6
218.95299	2.8
221.13805	5.7
237.20573	2.9
278.08124	38.4
306.07611	76.7
308.09100	18.6
313.30960	3.6
357.33621	6.1
415.25494	3.9
530.22290	3.0
639.50317	46.8
656.53082	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55003	0.9
63.18465	1.1
82.04232	1.0
98.51913	1.1
149.05930	2.1
176.06938	1.6
294.07608	2.5
304.17276	1.3
310.07364	1.7
318.07617	1.9
319.08234	5.4
320.09293	11.9
321.09561	2.1
322.10666	6.5
323.11319	5.5
324.12247	1.5
334.10721	8.3
335.10971	2.9
336.12225	3.0
338.13882	10.7
408.08533	1.4
493.14044	3.9
494.20505	1.4
583.15228	2.4
585.13043	2.8
594.02386	1.8
599.14691	10.7
601.15466	1.7
611.14142	2.7
613.12787	3.0
627.13989	6.8
629.15674	11.2
642.15698	2.0
655.13251	2.2
657.15039	100.0
657.28851	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04087	0.7
56.25838	0.6
82.99874	1.2
101.00899	1.2
107.01625	0.8
119.01913	4.1
124.42001	0.7
143.01903	53.2
155.01906	9.5
157.03441	1.3
161.01584	1.4
161.02945	40.1
161.86574	0.7
166.59930	0.7
167.01842	3.3
173.02933	16.1
179.01868	1.4
185.02913	17.1
185.04411	1.2
187.04510	2.6
191.03995	1.9
197.02859	6.8
199.60905	0.8
203.03989	28.6
203.05768	1.4
211.86659	0.7
213.02351	2.8
215.04041	8.1
221.05055	1.1
221.29109	0.8
225.02423	1.1
227.04001	8.8
231.03468	3.3
232.21390	0.8
233.05074	1.8
243.03514	3.0
245.05038	100.0
255.03513	11.1
257.05112	5.8
263.06143	13.8
273.04538	8.0
275.06036	6.0
285.04550	5.9
305.07126	3.8
315.05612	6.5
333.06577	1.1
365.09430	7.0
375.07678	1.9
405.08627	1.0
417.08755	1.3
425.11441	7.9
435.09692	4.9
477.11118	1.5
495.11929	10.6
537.12732	11.2
567.14178	7.0
597.15271	24.8
657.17255	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46992	0.5
74.59815	0.5
84.93728	0.5
91.78449	0.7
100.58339	0.5
164.70540	0.7
304.05966	0.9
307.05743	5.0
319.08426	4.9
320.09085	1.4
321.09656	0.9
334.10635	9.0
335.11133	0.9
336.12189	6.0
337.12674	3.6
350.41171	0.7
373.10995	2.8
577.95227	0.8
657.17773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53558	0.8
70.09729	0.8
82.05025	0.8
92.20926	1.3
106.98977	0.9
178.87636	1.0
307.05746	5.4
320.09106	6.2
321.09686	1.5
334.10846	1.4
336.12335	1.7
338.13898	1.0
373.10986	1.6
474.27960	1.0
657.17810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49672	0.4
82.63106	0.5
122.05435	0.6
138.56200	0.5
273.46695	0.5
277.10004	0.6
292.09686	0.7
293.87643	0.5
304.09793	2.0
305.10110	2.9
306.10416	1.9
307.08481	0.7
318.07632	0.8
319.08377	1.2
320.09122	14.7
322.10733	1.1
334.10773	2.2
335.11182	0.7
336.12387	2.5
346.08505	0.5
436.79645	0.6
440.11292	0.9
468.10767	2.5
469.11563	1.0
470.48978	0.5
484.13956	10.0
503.12320	0.8
571.15289	1.0
585.16449	1.2
598.13586	0.7
599.14594	3.2
611.14557	0.7
613.15881	5.3
614.16760	2.7
625.15442	1.0
627.13037	3.9
641.15552	24.9
642.16302	38.0
657.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49672	0.4
82.63106	0.5
122.05435	0.6
138.56200	0.5
273.46695	0.5
277.10004	0.6
292.09686	0.7
293.87643	0.5
304.09793	2.0
305.10110	2.9
306.10416	1.9
307.08481	0.7
318.07632	0.8
319.08377	1.2
320.09122	14.7
322.10733	1.1
334.10773	2.2
335.11182	0.7
336.12387	2.5
346.08505	0.5
436.79645	0.6
440.11292	0.9
468.10767	2.5
469.11563	1.0
470.48978	0.5
484.13956	10.0
503.12320	0.8
571.15289	1.0
585.16449	1.2
598.13586	0.7
599.14594	3.2
611.14557	0.7
613.15881	5.3
614.16760	2.7
625.15442	1.0
627.13037	3.9
641.15552	24.9
642.16302	38.0
657.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24780	0.4
54.89383	0.5
61.76786	0.5
72.79340	0.7
80.04578	0.6
117.33447	0.6
125.52858	0.6
273.79297	0.6
292.09485	0.7
307.08337	3.9
308.09277	2.6
310.07278	2.1
318.07700	0.8
320.09149	5.1
322.10764	0.7
334.10709	4.2
336.12393	1.3
337.12341	0.6
338.13812	0.8
381.11301	0.6
539.15839	0.8
541.65070	0.6
556.16553	0.7
567.15723	2.0
581.13525	0.9
585.16785	1.0
595.15051	8.2
596.15637	1.2
599.15009	3.2
602.45087	0.6
613.16199	9.3
619.57825	0.6
623.14386	2.4
627.16052	1.3
629.19067	0.7
641.15533	17.4
642.16193	3.3
657.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08344	1.0
58.06615	1.9
95.48032	1.0
96.34075	1.0
118.16360	1.2
133.02840	1.4
177.05360	1.1
184.31252	1.3
190.04881	1.3
251.17874	1.3
265.08670	1.2
304.06076	1.4
318.07623	1.8
319.08386	4.0
320.09174	15.1
321.09839	2.1
322.10617	1.4
334.10660	12.2
335.11319	2.1
336.12201	8.6
337.12540	1.6
395.94238	1.2
401.41928	1.1
470.12543	5.4
568.16431	2.3
595.13971	1.3
596.15930	9.0
599.14514	2.2
613.16064	10.4
614.39240	1.4
626.12915	2.5
627.14423	2.6
641.15643	23.4
642.16315	5.8
657.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08344	1.0
58.06615	1.9
95.48032	1.0
96.34075	1.0
118.16360	1.2
133.02840	1.4
177.05360	1.1
184.31252	1.3
190.04881	1.3
251.17874	1.3
265.08670	1.2
304.06076	1.4
318.07623	1.8
319.08386	4.0
320.09174	15.1
321.09839	2.1
322.10617	1.4
334.10660	12.2
335.11319	2.1
336.12201	8.6
337.12540	1.6
395.94238	1.2
401.41928	1.1
470.12543	5.4
568.16431	2.3
595.13971	1.3
596.15930	9.0
599.14514	2.2
613.16064	10.4
614.39240	1.4
626.12915	2.5
627.14423	2.6
641.15643	23.4
642.16315	5.8
657.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88636	0.3
57.18526	0.3
79.60955	0.4
86.62399	0.4
90.02077	0.4
174.05496	0.5
277.58453	0.5
292.09940	0.5
319.08304	3.2
320.09067	4.4
321.09824	0.7
334.10727	6.7
335.11304	2.3
336.08710	1.9
336.12262	1.5
338.13818	0.5
441.12894	0.4
454.09222	0.7
470.12421	7.7
539.15576	0.9
553.13843	0.8
567.15344	1.6
568.16345	3.7
569.14014	0.6
581.13654	0.6
583.14960	2.0
585.16968	1.0
586.16681	0.5
595.15417	0.7
596.15802	5.9
597.15002	1.8
598.14075	1.6
599.14423	4.3
608.12653	0.5
612.14740	0.7
613.16107	12.0
624.15497	0.8
625.16315	3.0
626.13342	2.5
627.13751	4.5
641.15552	23.1
642.16394	8.2
657.18671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19738	0.4
53.49145	0.4
77.68949	0.4
105.78577	0.4
117.19501	0.4
243.81844	0.5
276.09836	0.6
305.10080	2.5
306.10571	0.8
319.08499	0.8
320.09006	1.7
334.10721	2.0
440.11285	1.6
468.10724	3.1
469.11588	0.9
484.13821	11.2
503.12918	0.8
571.14856	0.5
585.16504	0.7
599.14392	2.1
611.13464	0.6
613.16455	4.2
614.16760	2.3
625.15570	0.7
626.13867	0.5
627.14478	3.3
629.19720	0.8
641.15497	27.4
641.26178	1.0
642.16272	34.7
657.18616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24780	0.4
54.89383	0.5
61.76786	0.5
72.79340	0.7
80.04578	0.6
117.33447	0.6
125.52858	0.6
273.79297	0.6
292.09485	0.7
307.08337	3.9
308.09277	2.6
310.07278	2.1
318.07700	0.8
320.09149	5.1
322.10764	0.7
334.10709	4.2
336.12393	1.3
337.12341	0.6
338.13812	0.8
381.11301	0.6
539.15839	0.8
541.65070	0.6
556.16553	0.7
567.15723	2.0
581.13525	0.9
585.16785	1.0
595.15051	8.2
596.15637	1.2
599.15009	3.2
602.45087	0.6
613.16199	9.3
619.57825	0.6
623.14386	2.4
627.16052	1.3
629.19067	0.7
641.15533	17.4
642.16193	3.3
657.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53481	0.2
53.10927	0.3
65.61729	0.3
68.67712	0.3
74.99583	0.3
82.04510	0.3
82.81682	0.3
109.91580	0.3
111.78271	0.3
121.90257	0.4
152.52542	0.3
160.94534	0.3
167.54398	0.3
205.19325	0.3
292.09683	3.4
318.07700	0.4
320.09180	100.0
323.11478	1.2
338.13855	5.8
446.12231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31529	0.7
60.36972	0.8
65.11507	0.6
67.05515	0.7
70.24464	0.8
71.08611	0.7
93.07030	0.9
95.08605	1.2
110.71334	0.8
187.26999	0.8
191.96565	0.9
292.09674	0.9
308.09009	1.1
312.25845	0.8
319.08334	1.3
320.09091	14.5
320.12054	0.8
321.09613	5.5
334.10718	1.3
335.10941	0.9
336.12378	6.4
337.12711	4.9
408.38257	0.8
569.13477	1.0
576.19031	1.0
581.18005	0.9
583.14880	10.2
597.12177	5.5
598.16864	0.9
599.18066	3.4
611.14545	9.4
612.15259	15.5
613.19617	4.9
617.59363	1.0
625.19183	4.3
626.16992	1.7
627.17603	68.9
629.19470	0.9
641.19330	10.7
642.19885	1.4
657.22388	100.0
657.34900	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04160	0.1
60.26179	0.1
85.03992	0.2
99.04459	0.3
109.26049	0.2
277.07285	0.3
290.08047	0.9
292.09647	4.6
294.11093	0.6
318.07697	0.7
320.09167	100.0
323.11411	1.3
334.10770	0.3
336.11942	0.2
338.13861	5.2
340.72513	0.2
627.16913	0.2
641.19073	0.2
657.22687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25054	0.3
81.65985	0.3
87.16804	0.3
130.84445	0.4
171.31656	0.3
195.91013	0.3
198.17795	0.3
254.94249	0.3
261.37329	0.3
280.78482	0.3
290.08154	0.4
292.09616	4.7
294.11234	6.3
306.11243	1.1
308.09045	2.7
318.07501	1.1
320.09174	100.0
322.10706	8.2
323.11496	22.5
336.12082	2.1
338.13852	91.6
394.16644	0.3
657.20160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.7
56.23591	1.3
69.03440	2.0
71.04987	2.1
78.22464	1.4
81.03411	10.8
81.07085	1.5
85.02907	8.3
94.42791	1.5
97.02893	7.4
99.04459	91.8
100.11868	1.4
117.05509	6.4
119.04934	3.2
121.06477	2.5
127.03958	2.1
145.02806	1.7
147.04382	6.8
149.05943	3.4
153.05447	2.8
161.06024	3.2
167.07068	1.7
173.40215	1.6
175.03920	19.4
177.05457	12.0
179.06938	2.9
180.63786	1.5
188.04613	5.8
191.03391	2.4
191.07027	8.3
203.07227	1.5
205.04971	100.0
206.05736	17.6
207.06512	27.4
217.04942	3.4
223.06003	55.9
224.06805	2.3
225.07552	2.2
227.02702	1.6
249.07593	36.8
263.05511	5.9
267.08606	10.4
295.08121	39.9
307.11942	1.8
313.09192	10.2
319.08435	7.7
320.08972	9.2
324.11987	3.1
334.10681	14.5
335.11050	2.1
338.13672	3.2
351.14374	3.0
379.13788	6.1
385.09119	2.8
397.14960	2.6
403.10373	3.5
657.21906	14.0
661.78015	2.0
678.00977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21634	1.6
61.94551	1.7
65.99168	1.9
67.58807	1.8
79.82198	1.9
91.05423	2.3
103.37767	2.0
105.20219	2.0
108.08144	2.9
118.04794	2.3
119.48005	2.1
120.08066	1.9
125.05512	2.4
130.97025	2.3
131.69186	1.9
150.09125	2.1
160.03860	2.7
211.08632	2.6
225.10257	4.0
233.98503	2.1
239.11809	5.3
239.15610	2.6
253.09575	2.4
253.13393	3.1
267.11282	4.6
267.14841	9.1
267.41849	2.6
270.09787	3.2
285.12280	19.0
297.12558	2.9
313.11780	3.7
388.16452	2.7
539.26709	4.7
553.24341	3.8
639.24255	11.0
657.25568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44378	1.2
59.06115	1.4
60.04531	57.5
70.02946	5.0
73.46621	1.3
83.06094	5.8
84.04501	51.8
90.47585	1.6
101.07137	5.5
105.06696	1.3
106.05016	1.4
115.05044	14.2
120.07216	3.1
120.08097	92.6
125.07083	2.8
126.05510	100.0
131.94470	1.5
133.06052	1.7
138.05492	22.6
143.04451	2.1
144.06570	7.4
157.06071	13.2
163.07536	1.4
167.04486	2.7
168.06496	10.1
172.07494	1.7
174.08678	5.4
185.05557	16.4
186.07581	5.9
200.07114	1.6
202.08203	23.6
204.08688	22.5
217.09615	1.7
227.08125	1.8
234.12292	1.6
245.09294	5.4
251.50764	1.6
253.11795	14.4
262.11804	1.8
282.82983	1.6
286.11792	6.3
304.12967	10.6
314.11481	2.1
332.12491	10.4
349.15015	26.2
405.16211	16.1
419.15335	1.7
432.18307	1.7
436.18484	2.0
437.16553	11.4
454.19196	23.2
537.23169	1.6
552.23102	15.0
639.25763	2.7
657.27222	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
53.84756	3.4
55.05517	4.3
56.71363	3.9
57.03442	22.0
58.06596	18.9
61.02931	82.9
63.91751	4.5
67.05508	24.1
69.03432	35.1
69.07063	17.7
72.99128	4.0
73.02911	26.1
79.05482	38.6
81.03420	22.8
81.07086	36.2
83.04960	4.3
83.08624	6.9
84.42136	4.4
85.02908	100.0
91.03963	45.2
91.05472	29.8
93.07037	40.5
95.04962	9.1
95.08601	22.9
97.02895	86.2
99.04443	7.7
103.03963	5.4
105.07011	45.8
105.89090	4.8
107.04918	5.1
107.08582	30.6
109.02886	10.2
109.10159	7.0
115.03971	5.3
117.07014	9.1
119.08554	33.7
121.10128	9.9
127.03909	20.1
129.06998	24.8
131.08577	37.3
133.10153	31.6
135.11699	10.8
143.08565	7.2
145.04965	7.7
145.10103	31.3
147.04460	4.4
147.11668	26.4
149.09601	6.1
155.08597	5.7
157.10094	18.6
159.11713	21.4
161.13312	7.2
165.24974	4.3
171.11716	5.7
171.52905	4.4
173.13223	6.6
181.10081	4.8
183.11763	6.8
185.13214	23.0
259.20575	6.7
271.20322	7.0
275.19766	6.0
292.09448	5.4
301.21713	5.2
320.09131	24.7
321.09921	23.8
333.24304	28.8
334.10760	6.8
336.12259	64.4
337.12692	8.9
349.21252	6.8
350.09955	5.6
367.22324	6.6
375.25241	18.1
417.26114	7.5
441.26178	7.6
459.27393	29.0
477.28455	31.4
495.29538	45.1
532.38599	5.1
657.35626	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61066	4.3
53.03926	4.2
55.05519	20.1
56.19838	3.9
57.03440	18.7
58.06604	5.7
59.05033	4.5
61.02933	100.0
67.05510	31.8
69.03424	32.1
69.07058	7.4
71.01344	4.3
71.04992	4.8
73.02915	25.1
79.05492	44.4
81.03421	24.0
81.07063	48.9
85.02911	99.0
91.03961	52.6
91.05466	45.7
92.21478	6.8
93.07035	44.6
95.04984	5.1
95.08622	37.5
96.34006	4.7
97.02891	76.1
99.04429	11.3
101.02406	6.4
103.03919	4.9
105.07046	52.1
107.08598	39.7
109.02866	8.6
109.10141	5.8
117.07028	8.2
117.92114	4.6
119.08555	43.3
121.10140	29.1
127.03901	24.6
131.08589	26.6
133.10120	47.4
135.11673	20.5
143.08600	10.5
145.04961	11.0
145.10127	33.0
147.11679	28.3
149.13342	5.7
151.07481	8.0
157.10104	21.1
159.11713	22.7
161.13216	9.7
169.10080	8.3
171.11716	6.8
173.09592	5.4
173.13226	8.7
185.13327	7.3
199.11086	6.0
213.12680	4.6
255.08971	10.5
259.20538	21.1
277.21558	6.3
289.21811	5.6
292.09543	9.3
299.14429	4.8
301.21790	7.4
319.08389	6.5
320.09274	37.4
321.09729	27.3
322.10434	6.6
325.21634	6.5
331.15781	8.2
333.24188	29.0
334.10828	9.5
336.12256	79.7
337.12637	30.7
349.16827	7.5
367.22934	10.9
375.25446	7.1
385.23535	6.4
423.25314	5.3
441.26379	19.4
459.27173	29.2
477.28366	31.5
495.29703	34.3
639.34045	10.5
647.22302	5.5
657.24530	7.2
657.35358	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45994	0.9
57.03436	2.5
61.02929	1.8
69.03442	8.0
71.04996	2.3
76.87039	1.0
79.05509	1.3
81.03419	1.9
81.07088	0.9
83.58134	1.0
85.02912	56.6
85.06533	4.5
91.03968	1.3
91.05488	1.8
92.21547	1.1
93.07050	4.6
95.08606	2.5
97.02895	15.8
99.04459	1.7
100.14536	0.9
105.07028	5.2
107.08576	7.0
109.02897	4.1
109.10141	1.5
109.26060	0.9
111.85476	0.9
117.07020	1.3
119.08589	1.9
121.10165	2.4
126.84122	0.9
127.03903	10.4
130.16216	1.0
131.08586	4.6
133.10141	4.7
139.11336	1.0
143.08633	1.9
145.04956	15.0
145.10110	14.1
147.11671	5.1
155.08548	1.4
157.10136	4.3
159.11736	7.6
161.13254	2.0
163.06003	4.9
169.10136	1.0
171.11684	5.4
173.13249	6.4
183.11743	2.0
189.12740	1.4
195.11697	2.2
197.13240	5.2
199.14871	4.0
203.14322	4.6
209.13310	1.5
211.14862	2.2
213.16319	8.3
217.15985	1.9
223.14835	6.5
225.16502	1.2
227.17940	4.6
237.16341	2.0
239.17976	2.4
253.19507	8.8
255.17506	1.6
255.21034	1.6
279.21103	13.9
297.22144	100.0
315.23148	36.2
325.11444	1.9
333.24561	1.3
336.12143	2.4
337.12564	1.8
477.28366	11.5
657.26624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01877	6.8
55.05522	7.9
57.03444	5.9
63.67724	4.3
67.05504	25.9
69.03423	7.4
69.07062	20.3
73.02918	24.4
73.82100	4.4
79.05477	11.8
81.03410	25.6
81.07066	45.5
83.04987	20.2
83.08636	9.0
85.02918	7.1
91.05481	26.8
93.07037	43.4
95.04916	5.9
95.08607	31.2
99.04452	100.0
101.06023	6.7
105.07021	31.8
107.08582	26.3
109.02901	5.2
109.06519	4.8
109.10144	27.8
111.04471	7.6
117.07026	10.6
118.23525	4.9
119.08583	26.2
121.06544	5.3
121.10130	9.8
125.09633	6.6
126.16647	4.5
129.07072	9.3
131.08577	11.9
133.10136	30.5
135.08067	7.6
135.11673	10.5
145.10136	22.2
147.11723	9.2
157.10074	19.1
159.11647	10.0
161.13155	6.9
171.11743	6.5
243.08694	6.8
259.20508	6.9
261.22083	8.6
277.71500	5.2
301.21600	7.2
305.12598	5.0
321.02719	5.4
350.10031	7.3
360.12177	7.4
361.12115	8.5
369.24188	19.5
381.93259	5.4
387.25183	7.3
405.26242	6.0
453.61530	5.5
467.28046	8.0
483.16827	21.5
485.28943	33.0
503.30008	20.6
527.15607	63.7
657.22119	76.7
657.38263	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.9
53.28406	1.5
55.01874	1.7
55.05514	9.5
57.03449	2.6
61.66707	1.8
63.51022	1.7
65.88673	1.6
67.05504	23.5
69.03422	10.2
69.07069	11.8
71.04988	3.9
72.92347	1.8
73.02914	16.2
79.05499	19.3
81.03432	22.8
81.07057	29.5
83.04968	11.1
83.08625	9.6
85.02918	9.5
87.04478	3.2
91.05482	13.7
93.07036	27.8
95.04986	8.0
95.08602	28.9
97.02904	8.5
97.06538	2.6
97.10164	2.2
97.79282	1.8
99.04457	100.0
101.06015	8.6
105.07035	18.0
107.08601	19.1
109.02854	3.5
109.06501	2.6
109.10156	12.4
111.04430	9.0
111.08071	2.3
117.07017	9.0
119.08577	19.0
121.10162	16.0
123.11679	3.4
125.09671	2.8
127.03909	7.7
129.06999	3.8
131.08559	19.2
133.06505	2.3
133.10123	16.1
135.11687	11.3
141.05473	7.8
143.08572	11.5
145.06377	2.2
145.10156	14.4
147.11633	7.6
149.09615	4.4
149.13254	3.9
155.08530	3.3
157.10059	7.2
159.08041	3.0
159.11723	13.8
159.77898	1.8
161.13213	4.0
169.10135	2.9
171.11676	4.3
173.13246	2.6
175.11151	3.2
181.09888	2.2
185.09628	2.4
185.13268	8.0
187.11212	3.2
187.14758	3.5
195.11723	3.5
197.13252	2.1
199.14751	3.4
243.08607	7.3
259.20624	3.4
261.22131	2.7
263.07657	1.7
301.21634	2.1
303.23105	3.1
336.12415	2.2
345.24429	2.8
351.23193	11.3
355.77368	1.8
369.24088	16.2
387.25241	9.5
405.26187	7.5
467.28308	14.6
485.29266	18.7
503.30066	13.5
524.10876	2.0
542.72125	2.2
657.41913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32623	2.7
54.07852	2.5
54.91458	2.8
55.01880	3.1
55.05507	16.1
57.03442	7.7
57.07089	31.6
67.05510	51.0
69.07069	58.1
71.05000	5.8
71.08630	3.4
79.05490	20.3
81.07064	77.6
83.04967	6.4
83.08620	38.2
85.06535	28.6
90.39226	2.8
93.07045	31.5
95.08614	65.3
97.06545	19.8
97.10178	23.6
99.08079	3.5
105.07015	4.8
107.08588	28.6
109.10149	30.1
111.08073	6.8
111.11738	5.7
117.05495	24.2
121.10160	28.7
123.11694	21.4
133.10152	5.8
135.11703	65.0
137.13258	6.4
139.11140	3.1
149.13240	23.4
151.11127	3.1
153.12766	21.2
157.48373	3.2
163.14919	3.3
215.17929	3.8
217.14395	6.9
221.82671	3.3
233.18925	3.2
237.22205	4.3
245.93561	3.0
251.20085	32.6
253.29008	3.1
269.21030	34.7
278.08121	6.1
279.08383	4.6
306.07596	15.8
307.07855	6.4
308.09439	4.1
311.25995	4.0
325.23782	4.4
353.26880	64.7
367.24811	6.9
375.51340	3.6
385.25839	100.0
579.46167	72.1
621.47406	46.7
633.35834	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84763	0.4
57.03422	0.5
58.06610	74.0
64.25809	0.4
69.03428	2.7
85.02904	5.5
87.04490	0.7
88.57557	0.5
97.02872	1.8
107.04950	7.4
109.02924	0.7
121.06532	2.9
127.03929	0.9
137.05989	0.9
139.03906	13.6
145.06505	1.0
151.03914	0.7
167.03427	0.9
171.71658	0.5
176.10664	3.7
181.04990	0.5
188.31335	0.5
192.10144	0.8
229.16881	0.5
235.07614	0.7
237.09164	2.2
238.09853	6.3
253.08678	2.8
255.10222	2.0
267.10236	2.7
303.90460	0.6
359.13013	0.7
375.13007	0.6
387.12631	1.1
405.13269	3.8
420.17935	4.6
450.19202	3.3
451.14288	0.6
496.19568	7.6
571.53546	0.5
658.24957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64804	1.6
55.05527	2.7
55.42572	1.6
57.03447	2.0
57.06828	1.9
57.07083	35.5
61.02929	15.8
62.00026	1.7
67.05504	10.7
69.07066	12.2
71.08630	43.2
73.02908	1.8
79.96772	1.9
81.07056	23.7
82.27907	2.0
83.08611	11.3
84.06931	2.2
85.02905	21.7
85.10176	23.5
91.03970	25.2
95.08604	29.0
97.02882	11.1
97.10172	7.5
99.04488	2.1
106.39960	2.2
109.10148	18.2
118.88167	1.8
123.11707	9.3
127.03936	3.9
134.92479	1.8
137.13182	2.4
145.04994	4.3
150.62949	1.9
163.06055	8.8
176.61264	2.4
225.22083	14.9
236.69020	2.0
243.23166	4.2
275.28189	2.3
299.25809	71.9
311.67865	2.0
317.26852	100.0
319.08365	10.7
320.09195	19.1
321.09500	13.9
334.10800	27.4
336.12399	22.5
352.15646	2.4
556.82813	2.6
658.35602	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05511	6.3
60.00655	2.5
64.29713	2.3
67.05499	16.6
69.03413	11.9
69.07071	3.9
70.42020	2.9
71.04957	3.8
73.02911	19.0
79.05495	5.6
81.03420	18.8
81.07059	31.9
83.08604	3.1
85.02896	3.1
87.04456	3.2
90.37794	3.4
93.07028	17.2
94.22655	3.1
95.08610	22.0
97.02888	12.4
99.04455	100.0
107.08589	7.2
109.02879	5.3
109.10138	6.7
111.04449	3.9
119.08542	3.8
119.69463	2.7
121.10103	4.8
127.03905	5.4
141.09175	3.1
161.13293	6.1
163.14857	2.9
215.55855	2.8
242.24713	3.4
243.08664	16.6
290.26831	5.5
320.09265	4.8
329.24890	4.0
334.10654	4.1
336.22073	15.1
337.22299	6.9
353.24591	4.0
371.25739	12.0
389.26898	5.3
398.34946	3.5
407.27753	5.9
457.02679	3.6
469.29495	13.9
469.60825	4.1
487.30530	30.8
505.31775	20.3
658.35187	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	13.9
55.01888	3.2
55.05515	4.3
57.03443	2.4
57.07085	8.9
58.06590	3.3
60.08167	4.5
62.96753	1.6
63.37047	1.6
67.05511	29.2
67.10995	1.6
69.03420	3.6
69.07063	9.8
71.08630	4.3
73.02927	14.9
79.05518	15.2
81.03431	26.0
81.07069	43.5
82.29752	1.7
83.08628	8.8
85.02917	11.9
85.06535	2.1
86.33698	2.0
87.04486	2.3
91.05473	13.4
93.07040	23.7
95.04978	8.9
95.08607	30.8
97.02907	4.5
97.06547	2.1
99.04462	100.0
105.07072	14.1
107.04979	4.5
107.08616	14.3
109.02905	2.9
109.06512	3.1
109.10152	9.1
111.04482	1.9
111.08054	2.5
117.07016	11.6
118.08726	2.1
119.08579	10.9
121.06525	3.2
121.10138	8.6
122.08156	2.3
123.04465	2.5
123.11716	3.3
127.03178	17.7
129.06984	4.6
131.08560	17.1
133.06447	2.0
133.10136	10.6
135.08067	3.9
135.11656	7.0
141.05476	9.4
141.07019	2.3
143.08540	12.5
145.06432	2.8
145.10120	12.5
147.08029	3.7
147.11665	3.7
149.09595	2.8
149.13251	3.9
157.10083	6.7
159.08012	2.6
159.11708	4.1
161.09541	2.2
161.13284	3.8
163.11165	2.6
163.14856	2.7
167.08643	2.2
169.10149	7.2
171.08020	2.4
171.11761	3.1
173.13223	4.3
175.14751	2.4
183.08047	3.5
183.11740	7.4
185.09711	13.7
185.13211	4.2
186.10609	19.6
193.10338	2.2
197.09671	3.4
197.13258	2.3
199.14938	2.3
201.16313	2.5
203.14375	3.0
230.09615	11.1
241.15900	2.7
242.24838	9.6
243.08693	7.6
243.21172	2.9
272.25781	2.6
279.23264	11.4
290.26913	52.7
306.01239	1.8
318.07800	2.4
320.09222	4.4
336.12326	2.5
351.22989	7.0
369.24118	15.0
387.25317	10.2
405.26434	3.2
406.86130	2.3
467.27731	28.4
485.29004	60.5
503.30063	54.2
508.68283	2.2
521.31049	9.3
605.36078	2.1
622.40210	3.2
658.33868	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	5.9
66.35951	5.4
67.05506	16.8
69.03405	6.8
73.02913	14.4
79.05515	9.0
81.07085	25.6
95.08591	13.7
97.02930	10.5
99.04457	100.0
107.08648	10.4
196.35707	8.0
236.14938	12.6
243.08673	12.3
290.26749	13.1
318.30161	7.0
320.09067	15.9
438.35410	7.2
451.18814	7.8
487.30240	11.4
505.31033	9.8
511.76477	6.7
567.95099	8.2
630.54218	8.0
658.49646	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.6
55.05519	4.1
56.35924	2.0
60.07951	1.9
63.95418	2.2
67.05509	24.0
69.03441	5.7
69.07061	5.3
71.08623	4.1
73.02912	25.8
79.05500	2.8
81.03420	18.4
81.07073	28.6
85.02906	4.1
85.06544	11.2
91.05490	4.0
93.07030	11.1
95.08597	21.8
97.02876	14.5
97.10197	2.4
99.04456	100.0
99.08170	2.9
103.52714	2.5
105.07026	4.9
107.08605	5.6
109.02883	2.8
109.10165	13.9
111.04478	2.4
116.15398	2.2
116.76720	2.3
117.07008	2.6
119.08565	4.4
121.10140	8.8
125.09615	3.9
127.03933	10.1
129.07019	2.3
131.08588	3.5
133.10121	3.6
135.08078	3.2
135.11688	4.0
141.05421	3.0
145.10091	4.7
147.07970	3.5
147.11708	5.3
149.09529	3.1
149.13243	3.0
159.11740	4.2
161.13107	2.7
162.65784	2.4
225.07506	2.8
243.08577	26.9
279.23444	8.3
284.35693	2.4
320.09189	10.4
336.12192	12.2
337.13107	2.6
338.13654	3.0
341.66269	2.6
369.23965	3.4
467.28262	3.0
485.28625	12.9
503.29892	14.6
521.31116	11.1
539.31525	3.8
568.98419	2.9
658.33606	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.1
55.05516	11.9
57.56235	1.4
61.22148	1.7
67.05519	3.8
68.76637	1.5
69.07079	2.5
79.05482	1.7
79.87422	1.7
81.03426	11.6
81.07053	9.6
81.88878	2.1
83.04534	2.8
83.04991	43.1
85.02915	3.3
91.05461	2.1
93.07067	3.1
95.08609	4.5
97.02918	3.2
97.10167	2.9
98.24792	1.7
99.04465	100.0
100.15977	2.4
107.08670	1.9
109.02852	2.1
109.10226	2.7
111.95628	2.0
117.05483	8.2
118.86457	1.7
129.12433	1.8
133.10117	4.1
147.11745	2.1
201.16425	2.5
236.62106	2.0
252.86351	1.9
261.09625	8.0
320.09109	2.3
321.09818	2.3
334.10687	2.8
336.12302	4.5
337.13205	1.8
345.27881	2.9
351.47089	1.8
363.28815	19.6
408.87979	2.0
517.80481	2.1
608.05719	2.1
658.34338	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.9
55.05527	5.3
57.07078	5.6
60.08163	3.0
62.80443	2.3
67.05524	30.4
69.03439	4.6
69.07074	3.9
71.08620	5.3
73.02920	13.7
79.05503	12.2
81.03421	17.0
81.07062	43.4
83.08627	11.6
85.02894	13.0
91.05473	10.9
93.07042	18.1
95.04950	4.6
95.08609	34.4
97.02889	3.9
97.06531	4.2
99.04458	100.0
105.07026	14.8
107.08609	13.4
109.02905	3.4
109.10143	7.2
117.07036	5.7
119.08609	10.6
121.06466	4.1
121.10140	6.4
123.11791	3.9
127.03238	12.9
129.07037	11.0
131.08557	15.9
133.10152	4.1
135.11699	6.6
141.05476	4.9
143.08577	5.6
145.10107	7.2
149.13307	5.4
151.14940	3.4
155.08566	5.7
157.10121	4.3
159.11676	4.5
160.34343	3.0
161.09712	3.4
161.13000	3.4
171.06470	3.6
171.08098	3.3
173.13252	13.8
185.09822	3.5
185.13318	6.4
186.10593	12.8
187.11195	4.0
199.14816	3.6
230.09598	5.5
243.08673	4.4
253.33469	3.2
279.23193	18.4
287.27158	3.1
290.26987	23.2
315.23111	3.8
318.07529	4.6
320.09167	24.7
331.96570	4.8
334.10727	7.1
336.12222	17.3
338.13519	5.3
351.23065	6.1
369.24146	13.5
387.25351	5.9
467.27786	16.2
485.28848	48.4
503.30081	48.0
513.39417	3.1
521.31409	4.7
658.33057	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11370	2.5
67.05507	15.8
67.23913	2.6
69.07059	5.2
75.47964	3.0
79.05509	3.3
81.07073	21.7
83.08620	4.1
84.78101	2.9
91.05492	15.8
93.07080	12.2
95.08616	23.1
103.05477	7.2
105.07044	14.3
105.99596	3.0
107.04985	6.1
107.08580	4.4
109.10144	13.7
119.04944	7.1
119.08601	3.1
121.10167	7.3
131.04930	47.5
133.06474	13.2
135.08115	3.6
135.11674	5.3
137.05981	100.0
147.04427	3.7
151.07558	19.4
161.06003	22.7
161.09639	7.1
161.13383	3.4
163.07567	26.0
175.07558	15.5
177.09033	5.2
187.07639	3.4
189.09140	44.7
191.10689	3.9
201.09132	4.0
261.21976	5.2
263.23721	5.7
268.80469	3.1
297.11368	4.2
311.12784	5.4
313.14423	6.0
343.15692	4.2
372.66351	3.8
466.42331	3.3
469.33035	24.0
593.38623	34.8
605.38031	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
55.19704	2.0
56.71908	1.9
57.03438	5.5
57.07086	5.0
59.06113	2.5
63.09871	1.9
67.05491	11.7
69.07079	8.3
71.08639	39.8
79.05493	5.5
81.07064	24.4
83.08629	12.2
93.07044	11.1
95.08609	36.3
97.10157	11.8
99.08100	35.6
107.08600	8.5
109.10168	14.4
111.99869	2.5
113.09657	3.5
121.10142	12.9
127.11232	5.2
135.11720	12.4
137.13242	5.0
147.11687	11.6
149.13287	3.8
157.78104	2.2
163.14804	4.1
174.05559	2.4
177.16492	2.9
187.06303	3.3
233.22591	11.2
251.23634	4.1
275.20242	2.6
279.23126	3.5
297.24283	12.0
303.06247	2.5
327.25238	9.4
334.10788	3.3
353.26862	95.4
357.99130	2.3
369.26224	4.4
437.83453	2.4
520.17419	3.9
534.18988	13.7
536.20917	5.4
546.18188	2.8
574.22571	5.1
614.28766	2.6
623.48492	2.6
658.31506	100.0
658.42139	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.6
57.07072	4.7
65.74796	4.1
67.62926	4.2
69.07069	21.0
71.04965	5.9
71.08634	11.3
81.07057	10.2
82.98632	3.9
83.08651	7.5
95.08619	8.7
97.10160	8.5
99.08083	10.6
109.10194	6.1
117.05484	6.8
121.10139	9.7
130.35812	5.5
133.10226	5.2
271.22672	100.0
353.26724	20.9
623.48749	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48501	2.1
52.95905	1.7
55.05526	14.8
57.03437	3.6
57.07072	9.3
62.89040	1.8
67.05502	22.6
69.07061	39.8
71.05002	2.6
71.08633	43.7
79.05499	7.7
81.07060	49.8
83.08630	37.9
85.06544	2.5
87.08086	2.3
93.07042	11.0
95.08612	38.0
97.06537	2.8
97.10155	29.7
99.08095	47.8
107.08588	4.6
109.10147	22.9
111.11704	8.6
119.08556	3.8
121.10159	27.8
123.11707	19.9
127.11193	2.4
133.10094	3.5
135.11699	18.7
137.13239	8.7
147.11690	2.4
149.13245	4.5
151.14761	4.3
153.12706	2.8
153.45250	2.3
161.13234	3.5
175.14745	2.2
190.05067	2.9
190.57509	2.1
203.05904	2.2
207.21098	3.9
217.19530	4.4
225.22012	2.5
232.77499	2.1
237.22083	3.2
271.22562	10.6
353.26828	81.5
369.26321	100.0
543.06281	2.5
563.46674	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48431	0.3
54.45264	0.3
55.05484	0.5
56.04980	2.6
57.07026	2.6
57.07265	0.4
58.06542	2.2
58.06795	0.4
58.31754	0.5
67.05441	0.5
68.72426	0.3
69.07007	0.6
70.73446	0.4
71.08580	0.7
74.06083	5.1
78.95937	0.4
81.07017	0.7
81.56269	0.4
83.80023	0.4
86.06017	0.5
88.00826	0.4
88.07552	2.5
88.08060	0.6
93.07011	0.4
95.08540	0.6
95.55314	0.4
107.08572	0.5
118.08579	2.2
122.08143	5.1
135.11655	0.4
137.09428	0.5
154.12260	3.6
182.15376	2.0
184.13382	0.4
196.16985	0.4
242.24780	26.5
272.25864	1.6
290.26892	100.0
311.16714	0.5
319.07956	0.5
320.09195	9.4
321.09509	9.1
334.29337	0.7
363.22668	0.6
454.83780	0.4
545.31488	0.4
658.35767	27.8
658.47601	1.8
668.11597	0.5
684.08441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99290	0.2
56.05043	2.9
56.78385	0.3
57.07076	1.7
58.06608	3.0
60.04495	0.3
71.08627	0.7
74.06083	4.7
74.75097	0.3
76.12173	0.3
81.07082	0.4
83.08617	0.3
85.10173	0.4
86.06046	0.5
86.78496	0.3
88.07638	2.2
95.08622	0.3
104.07055	0.4
109.10125	0.3
117.61361	0.3
118.08652	2.6
122.08148	6.4
146.75462	0.3
154.12296	2.6
171.14923	1.1
176.06989	0.5
182.15407	1.6
196.17001	0.3
242.24765	27.5
250.68892	0.3
265.15295	0.3
272.25824	1.8
290.26880	100.0
320.09149	1.4
321.09436	0.3
334.29367	0.5
336.12375	0.4
369.27448	0.6
431.28714	0.3
459.54767	0.3
539.91937	0.3
606.42139	0.3
606.51941	0.3
658.36139	2.7
658.54077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41476	0.3
56.05040	3.4
56.69390	0.3
57.07069	1.7
58.06608	2.6
74.06083	4.3
78.90550	0.4
79.66411	0.3
81.07074	0.4
85.10170	0.5
86.06069	0.5
88.07632	2.6
95.08569	0.4
116.12286	0.3
118.08662	2.6
122.08134	6.2
154.12239	2.0
157.10185	0.4
171.14882	0.4
182.15405	3.6
190.05011	0.4
199.18062	0.7
207.16408	0.4
242.24762	26.1
272.25812	1.6
280.15152	0.4
290.26874	100.0
320.09048	1.6
321.09592	0.5
336.12189	0.8
363.22577	0.7
368.08133	0.5
369.27637	0.5
471.35156	0.5
658.34131	1.5
658.46790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04982	0.5
51.31061	0.4
56.36458	0.4
57.07076	0.9
61.02919	0.7
61.13764	0.4
67.05528	0.5
71.08622	0.9
81.07062	0.9
83.65862	0.5
85.02905	0.8
85.92730	0.5
93.89240	0.5
95.08611	0.9
139.72037	0.5
146.20592	0.6
162.04924	0.5
163.05997	0.7
176.07106	2.9
198.07213	0.6
224.93219	0.5
263.71722	0.5
299.25858	0.9
300.26266	1.2
317.26929	2.5
318.27304	2.6
320.09213	0.9
321.10001	0.9
336.12335	1.2
337.12823	1.2
352.15576	2.7
353.15823	1.4
369.58258	0.6
598.13483	1.3
601.11853	0.7
616.14178	1.9
625.11639	0.7
627.13727	0.8
629.11932	7.8
643.13330	3.2
644.14252	71.0
659.16553	100.0
659.33051	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14265	0.4
53.89365	0.4
54.83611	0.4
56.78059	0.3
69.03429	0.7
77.34200	0.5
79.05530	0.4
81.03365	0.4
83.04993	4.5
85.02898	0.7
89.17365	0.5
95.04960	0.6
97.02934	0.5
99.04478	0.6
102.49286	0.5
111.04441	13.0
121.06517	0.5
126.95925	0.4
127.03952	0.5
134.58656	0.4
153.05453	0.7
157.39796	0.5
255.08647	0.7
258.63324	0.5
270.05316	1.0
281.08041	0.7
285.07571	100.0
297.07623	1.2
304.06067	0.6
311.09204	0.7
312.85721	0.5
319.08377	2.3
320.09174	1.0
321.10074	1.1
322.10849	0.7
323.09250	2.5
327.08618	2.5
334.10690	5.5
336.12378	4.4
337.12604	0.9
351.08646	2.9
377.10275	4.7
393.09354	0.6
429.11664	2.1
471.13004	1.9
475.12115	1.9
486.15897	0.7
497.14581	0.7
513.14032	1.1
539.15527	8.2
557.16742	1.6
599.17175	0.8
659.17889	3.6
659.30249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79738	0.7
55.05515	1.9
57.03443	3.9
61.02928	15.4
62.18432	0.8
67.05506	6.3
69.03429	5.7
71.01353	0.9
71.05020	0.8
73.02917	6.0
79.05504	5.2
81.03432	3.7
81.07053	10.6
83.08611	0.9
85.02916	17.0
88.78159	0.7
91.03943	10.2
91.05479	3.5
93.07047	7.7
95.04986	0.8
95.08594	9.3
97.02887	14.0
99.04459	1.7
100.92900	0.9
101.02373	1.1
103.03976	1.6
105.07040	3.1
106.51826	0.8
107.08620	3.7
109.02901	1.8
109.10165	3.9
119.08559	1.8
121.10143	3.7
127.03928	5.3
127.94160	0.8
129.05486	1.1
133.10176	1.1
135.11682	1.4
183.06540	1.0
197.37589	1.0
243.21136	0.9
257.77109	0.9
261.22040	3.1
320.09177	1.3
321.09796	1.2
335.25778	12.6
443.27878	1.3
461.28699	1.1
479.30139	1.7
491.13004	1.0
492.13226	4.2
518.64105	0.9
555.15118	1.2
583.14844	7.9
586.13696	1.2
598.14728	1.0
600.15082	4.2
601.16418	1.0
611.14636	4.1
614.13171	4.3
627.16370	1.0
628.14667	9.0
629.05133	1.0
629.15509	29.4
643.17188	8.4
644.17859	47.5
659.20184	100.0
659.37024	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39002	0.5
81.07059	0.7
127.07045	0.5
188.91177	0.5
322.10617	2.3
421.70657	0.5
492.13321	4.1
555.15143	2.1
583.14954	7.9
586.14014	2.4
594.14319	1.0
598.14044	1.1
599.15137	0.8
600.15094	4.1
601.16016	1.2
611.14697	4.8
612.15228	2.6
614.13043	3.1
628.14636	11.2
629.15533	29.0
643.17224	8.5
644.17871	47.7
659.20178	100.0
659.36572	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50402	0.5
61.36859	0.5
65.91203	0.5
66.66805	0.4
70.14525	0.5
76.55952	0.5
81.07072	0.6
95.08636	0.8
95.97516	0.5
97.35207	0.5
118.08699	0.5
123.30093	0.5
138.08109	0.5
207.49432	0.5
223.71872	0.5
307.12003	0.6
318.40274	0.6
320.09174	3.3
320.12988	4.0
321.09653	1.0
322.10715	2.2
334.10767	1.1
336.12338	2.5
337.12683	0.8
350.10544	1.1
453.20248	0.6
485.33087	0.6
486.22803	2.3
561.38239	0.6
569.17255	1.1
583.15125	0.6
585.16174	1.0
586.17029	0.9
597.16608	2.9
598.17236	4.5
599.17560	0.9
601.15985	10.2
615.17664	25.4
627.17566	8.1
628.14502	0.9
629.15497	24.6
643.17120	35.2
644.17676	12.8
659.20233	100.0
659.30750	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89285	1.3
56.89610	1.3
62.88760	1.2
63.54208	1.2
63.86710	1.3
64.14758	1.5
66.59821	1.3
77.54925	1.3
103.80384	1.3
110.56255	1.3
128.03951	1.5
203.51859	1.5
320.09189	7.3
321.09744	2.7
336.12393	6.4
377.26776	1.6
598.17560	8.8
601.16174	12.6
615.17657	22.5
627.17694	7.0
629.15417	29.2
643.17133	33.1
644.18604	5.4
659.20227	100.0
659.29889	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06224	1.4
63.48405	1.8
75.13564	1.7
77.62469	1.6
146.09529	1.9
174.38742	1.7
177.90973	2.0
215.60545	1.9
226.08600	1.9
285.14142	1.9
292.09445	2.4
307.08264	14.9
319.08603	3.3
320.08954	12.6
321.09937	7.1
322.10510	3.2
334.10800	4.2
336.12436	9.4
337.12930	2.4
348.12457	2.8
440.11411	3.3
490.11392	23.3
491.12396	8.3
505.13904	22.6
506.14874	10.4
591.90234	1.8
629.15570	9.4
659.20227	100.0
659.30859	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87813	0.6
69.10670	0.6
81.06559	0.6
81.07104	0.8
156.10205	0.7
176.46274	0.7
267.27026	0.7
276.10303	1.6
277.11209	0.8
281.32175	0.8
288.10297	0.8
309.16736	0.8
320.09259	3.3
320.12946	4.9
321.09863	0.7
323.11407	0.8
334.10757	1.3
335.07727	1.2
335.11340	1.4
336.12381	1.4
337.13098	1.4
350.10114	1.4
352.15506	2.6
353.15802	1.0
561.37787	0.9
569.16394	0.9
597.16577	1.6
598.17139	3.5
599.15442	0.8
600.15533	0.8
601.16235	10.5
615.17664	20.6
616.17432	0.9
627.17651	8.9
628.14734	2.8
629.15552	23.8
643.17059	32.6
644.17902	20.9
659.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.40820	0.7
59.59910	0.6
61.02929	5.1
63.93095	0.5
65.67770	0.5
67.05510	3.1
69.03423	2.7
73.02927	1.3
79.05495	1.6
81.03408	1.1
81.07056	1.4
85.02924	5.5
91.03955	2.9
93.07056	3.2
95.08621	3.6
97.02888	4.6
107.08603	1.2
119.08675	0.9
121.10117	0.9
127.03875	1.3
131.08539	0.9
133.10138	1.5
162.91222	0.7
176.07047	0.7
211.88719	0.6
222.58955	0.7
261.22260	0.8
292.09634	0.8
320.09256	3.7
321.09695	1.1
336.12424	3.1
337.12500	1.0
347.15396	1.5
443.28052	1.0
461.28705	1.4
479.29819	1.2
487.96182	0.9
584.13947	0.7
586.17358	1.2
598.17426	10.2
601.16229	9.6
615.17627	21.0
627.17670	8.2
629.15491	22.9
643.17096	33.9
644.17590	6.4
659.20123	100.0
659.37622	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12217	0.7
62.97293	0.8
114.04962	0.9
119.39018	1.0
125.94218	0.9
185.52592	0.9
187.76025	1.0
306.07977	1.0
307.08444	14.3
308.08875	1.3
319.08508	1.6
320.09198	8.9
321.09741	4.0
322.10846	4.0
334.10785	5.0
336.12457	4.9
337.12631	1.4
338.10086	1.3
375.28949	1.3
446.26822	1.0
456.14572	4.8
474.12399	4.9
475.13300	1.7
490.11691	24.8
491.12439	9.2
505.13876	24.6
506.14859	11.0
601.16315	1.3
609.15948	1.4
612.15466	1.0
615.17377	2.2
627.17474	4.1
628.14636	4.2
629.15491	8.9
643.16821	7.1
659.20111	100.0
659.29547	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60946	1.0
65.46931	1.0
70.03041	1.2
83.71452	1.1
88.78414	1.2
93.32750	1.4
102.22534	1.1
157.74846	1.2
168.27426	1.3
254.70233	1.3
319.08530	1.6
320.12915	2.0
322.10638	1.6
334.10736	4.2
336.12491	2.0
555.15668	1.4
597.16693	1.3
598.17554	2.3
600.15796	1.5
601.16217	7.0
615.17444	12.6
627.17474	5.4
628.14685	1.5
629.15619	19.3
643.16913	22.9
644.17908	22.9
659.20264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52201	2.0
55.90875	1.9
67.05504	2.6
69.07073	2.3
80.44268	1.9
81.07047	3.2
85.02878	2.9
85.06574	2.1
93.07065	2.6
95.08636	3.5
97.06567	1.9
107.08600	2.3
145.00482	1.8
145.36838	2.1
147.04398	3.3
321.09604	2.5
333.24490	2.2
336.12335	12.2
337.12680	9.8
349.16681	3.0
454.23618	3.2
467.24619	3.6
467.33398	2.0
485.21729	18.2
499.23322	8.0
500.23923	2.3
506.23282	2.9
511.23361	15.5
526.22186	2.5
527.26367	12.2
537.24994	10.4
541.24463	9.0
555.26483	7.9
571.25201	3.1
572.26105	7.5
581.23743	4.1
599.24872	5.1
615.17859	2.9
627.17169	3.1
629.15863	3.6
641.25970	3.9
642.26251	4.8
643.17041	5.1
659.27728	100.0
682.02777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.38672	0.4
56.62669	0.4
57.03424	0.4
61.85844	0.4
62.54743	0.4
67.05495	0.9
68.68407	0.5
69.07069	0.7
71.08645	0.5
75.04456	0.6
81.03468	0.8
81.07050	2.3
86.30525	0.5
93.07028	2.0
95.08614	1.8
97.10176	0.5
98.76289	0.5
105.07016	0.8
107.08581	2.0
109.10163	1.0
119.08543	0.8
121.06532	0.7
121.10120	0.6
133.10130	0.6
133.21999	0.5
190.05025	4.0
223.06911	0.5
275.20160	0.7
278.08057	3.9
289.07410	0.9
290.08096	0.6
290.26971	0.7
291.08875	3.0
292.09387	0.6
306.07571	11.2
307.08197	3.7
316.09814	0.7
318.07587	2.3
319.08453	1.2
320.05499	16.0
320.08911	0.8
321.09860	1.2
322.06760	2.4
322.10690	4.3
334.07040	2.7
335.07849	22.7
336.12442	0.8
344.09235	3.3
345.09808	3.6
350.10217	100.0
351.10516	2.4
352.10828	2.3
353.11142	2.2
360.12256	26.1
361.26990	0.5
366.09775	0.7
372.84540	0.6
444.18057	0.8
451.50562	0.6
490.22311	5.9
557.26129	0.8
575.27295	2.5
641.43256	0.8
659.32959	13.7
659.42664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
55.05525	7.3
57.03450	29.8
61.02932	87.4
67.05508	34.2
69.03434	36.7
69.07056	3.9
71.05007	4.2
73.02921	32.0
79.05494	26.4
80.21978	3.3
81.03403	21.0
81.07060	49.7
83.04992	4.2
83.08588	4.2
85.02905	100.0
86.66383	3.4
91.03951	48.5
91.05484	15.1
93.07055	44.6
94.42372	3.1
95.08611	39.8
97.02895	81.3
99.04453	8.3
101.02352	6.7
103.03951	4.7
105.07030	15.0
107.08584	28.6
109.02879	14.3
109.10152	17.6
111.04443	3.9
115.03931	6.8
119.08607	16.0
121.10136	17.7
123.11716	3.9
127.03917	28.1
129.05501	4.3
131.08539	15.3
133.10159	5.7
135.11691	18.0
137.44945	3.6
145.04950	12.9
145.10193	4.7
147.11678	6.3
149.13306	6.6
163.06027	5.0
172.11203	3.7
173.13237	4.2
183.06555	6.2
201.07520	5.8
213.17696	4.1
233.06848	3.6
261.22202	14.1
281.21805	4.6
320.09113	6.8
321.09500	5.0
322.10391	4.8
335.25821	57.9
336.12091	6.4
377.26395	4.2
461.28632	6.3
479.30051	25.1
497.31091	7.0
543.14722	4.2
629.15521	4.9
659.19495	22.5
659.37000	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	9.7
56.02734	5.1
57.03436	24.5
61.02927	84.2
67.05524	50.6
69.03438	44.2
71.05008	9.5
71.98808	4.6
72.80831	4.9
73.02911	26.6
76.30797	5.2
79.05501	32.6
79.80074	5.2
81.03419	28.5
81.07056	62.0
83.08607	7.6
85.02904	92.1
91.03951	52.9
91.05466	13.6
93.07040	50.6
95.08604	44.2
97.02899	86.7
99.04450	31.0
100.71719	5.6
103.03958	11.3
105.07035	23.5
107.08591	36.7
109.02842	10.6
109.10149	11.9
111.04430	6.2
119.08510	10.9
121.10141	30.9
123.11666	8.4
127.03934	37.5
131.08553	9.4
133.10088	12.0
135.11668	22.3
144.84364	6.2
145.04973	10.0
145.10190	7.6
159.11685	6.6
173.13284	7.1
183.06599	8.1
185.42018	5.4
197.43831	6.2
198.99876	5.4
201.07617	9.9
261.22015	23.3
335.25830	72.8
335.34381	6.8
336.12369	21.8
353.15982	8.3
403.02710	6.4
443.28165	10.0
461.28976	8.0
479.29611	13.7
541.78156	5.8
657.52179	6.3
659.21704	22.3
659.34857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44523	0.7
56.96574	3.9
67.05513	1.2
71.73222	0.8
81.07062	1.6
93.07058	1.1
95.08631	1.3
105.07054	1.0
107.08630	0.8
110.17638	0.7
111.18638	0.9
144.75191	0.8
157.02052	0.8
185.04938	1.0
199.06418	3.1
203.05957	0.9
213.08055	5.0
217.07567	3.6
225.08009	1.8
227.09592	2.8
229.07405	1.8
231.09114	3.7
235.10178	1.4
239.09593	7.1
241.11172	1.7
243.08876	1.0
245.10619	1.6
251.09436	10.1
253.11087	14.8
255.08997	9.0
257.10712	1.7
265.11127	4.0
267.09079	12.1
269.10593	46.0
271.12167	8.0
273.10248	4.2
277.11169	4.6
279.12668	6.9
281.14270	0.9
283.12094	7.0
285.10120	16.5
287.11688	17.2
289.11151	3.4
291.12674	33.1
292.42508	0.8
295.12140	8.0
297.13742	1.8
307.12238	6.4
309.13712	36.1
313.13330	3.3
318.14484	0.9
321.09924	1.0
325.13400	4.8
327.14777	8.9
331.15707	10.3
332.15533	1.2
336.08365	0.8
336.12363	1.8
337.12677	1.4
349.16837	31.2
353.15808	1.0
367.17911	24.5
385.18954	3.3
417.83218	0.8
422.83304	0.8
561.31097	3.7
601.34277	1.5
618.40930	0.8
643.17133	1.3
644.77209	0.8
659.20264	4.9
659.38361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.96581	1.0
61.31491	0.6
89.38671	0.7
95.33251	0.8
111.70438	0.9
119.64145	0.8
120.47086	0.7
121.06532	0.9
132.64435	0.8
133.10100	0.9
157.28613	0.8
198.94835	0.8
222.58690	0.8
223.06433	3.3
234.18541	0.8
239.09505	3.4
241.07472	39.4
242.87651	0.8
243.09232	0.8
253.11147	4.4
259.08533	20.4
261.11621	4.0
271.12088	1.7
279.12683	22.5
297.13712	8.4
313.14694	36.8
313.18073	1.5
320.09198	4.4
321.09833	4.3
322.10483	1.1
323.11755	1.1
331.15808	86.0
334.10684	2.9
336.12329	16.6
337.12665	7.6
349.16846	100.0
354.17270	1.9
367.17957	17.8
390.19519	3.0
450.72845	0.8
508.78568	0.9
533.28033	1.2
554.57526	1.1
641.36841	3.7
659.19000	1.0
659.28326	10.8
659.38080	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51140	0.6
53.96364	0.8
56.96577	4.1
81.07042	0.8
92.20966	0.7
95.08585	0.9
95.21524	0.7
107.08576	0.8
121.10114	1.0
147.39650	0.8
166.41258	0.8
171.03404	0.8
199.06462	1.3
203.05794	0.8
213.08046	4.7
217.07515	1.8
225.08052	0.9
227.09586	3.3
229.07523	1.7
231.09038	5.3
235.10056	1.1
237.08057	1.1
239.09537	6.3
243.09106	1.9
245.10558	1.7
249.08006	0.9
251.09410	7.3
253.11111	12.4
255.08998	12.4
257.10715	3.8
265.11221	3.8
267.09009	18.8
269.10590	42.9
271.12137	5.6
273.10217	4.7
277.10925	5.5
278.10809	1.1
279.09140	1.1
279.12796	4.4
281.10751	0.8
281.14438	0.8
283.12225	4.3
285.10110	21.7
287.11642	17.2
289.11145	3.6
291.12659	30.1
292.12369	1.5
293.14706	0.8
295.12155	10.0
297.13760	1.7
303.11407	1.6
307.12317	5.3
307.15771	0.9
309.13699	34.9
313.13358	3.7
321.09756	1.3
325.13220	5.9
327.14706	9.1
331.15805	13.4
336.12433	5.0
337.12772	3.9
338.13898	1.0
349.16846	26.6
352.15555	1.1
367.17871	24.8
367.22083	1.2
385.19189	1.7
390.19632	1.0
561.31287	4.1
601.34418	4.6
629.15894	1.5
659.20081	3.9
659.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53452	1.3
51.26238	1.4
55.05504	1.5
61.02929	3.8
67.05500	4.0
78.32165	1.8
79.05477	3.0
81.07069	7.0
85.02908	8.0
86.74731	2.0
91.05470	3.1
93.07042	4.0
95.08619	4.2
97.02885	2.8
99.04428	1.9
107.08615	1.9
113.11138	1.8
121.10214	2.3
223.06306	3.3
239.09763	1.7
241.07445	37.0
253.11061	6.8
257.10623	2.6
259.08496	21.2
261.11566	19.2
261.22092	2.1
263.31992	1.9
271.11987	2.7
279.12634	100.0
292.09735	2.6
297.13684	70.0
313.14780	19.7
314.32303	2.9
320.09174	7.1
321.09753	11.9
322.10321	9.2
331.15762	53.3
336.12186	35.8
337.12604	30.1
338.13477	2.4
349.16806	44.6
350.10217	2.1
352.15207	2.7
367.17905	31.7
533.27954	2.7
571.32813	4.2
641.37378	4.0
659.28906	31.4
659.37939	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.2
56.30474	3.1
66.84401	2.7
67.05508	69.6
69.07069	6.8
71.05003	3.4
71.09523	2.5
76.35737	3.9
79.05488	20.8
81.07057	19.2
83.08617	28.1
91.05491	6.0
93.07032	13.8
95.08594	7.1
96.40044	3.9
97.10170	30.5
98.58057	3.2
107.08570	23.7
109.10156	100.0
111.08085	5.5
123.95542	3.1
125.09632	19.7
135.08052	8.0
155.10648	15.3
172.13377	23.0
173.11728	44.5
189.11221	3.7
193.63358	3.2
217.91310	3.7
254.35999	3.0
320.09207	3.4
336.25830	4.1
362.84885	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61461	0.2
59.53989	0.2
126.36095	0.3
135.94705	0.3
161.05956	0.4
162.06229	0.4
199.88840	0.4
207.10275	0.4
210.18869	0.3
242.62918	0.3
290.08096	8.5
302.08041	2.8
304.06061	8.0
318.07611	11.7
319.08395	49.3
334.10730	100.0
404.72095	0.4
594.61823	0.4
660.20789	49.7
681.79504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80547	0.2
65.87866	0.3
70.76945	0.2
73.23182	0.3
75.34502	0.3
142.59760	0.3
150.63136	0.3
162.53732	0.2
207.06505	2.1
281.10156	0.3
290.08063	6.4
302.08139	1.7
304.06067	6.6
318.07574	8.2
319.08389	41.0
320.09161	1.5
334.10727	100.0
450.64673	0.3
477.30319	0.3
660.24426	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21633	0.4
57.33395	0.5
75.99503	0.6
92.21523	1.1
99.04461	3.6
101.18092	0.6
119.04945	0.9
133.03940	0.6
143.03337	0.6
147.04401	0.9
174.19966	0.5
175.03899	8.1
191.07042	0.7
207.06528	22.4
224.75696	0.7
225.07544	0.9
230.66103	0.6
276.06381	0.8
281.10217	1.3
290.08093	5.6
299.11252	2.3
304.06100	6.1
318.07623	9.1
318.95868	0.6
319.08389	47.2
320.09271	2.5
334.10733	100.0
350.98792	0.6
365.15726	0.9
383.16974	1.0
660.24475	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09703	0.2
54.65558	0.2
61.74551	0.2
62.71867	0.2
80.56454	0.2
80.56920	0.2
167.14291	0.3
198.26018	0.3
200.44072	0.3
290.08078	6.6
302.08096	1.8
304.06006	6.8
318.07556	8.7
319.08359	42.7
320.09274	2.5
334.10706	100.0
334.88815	0.3
537.75916	0.3
660.24512	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21633	0.4
57.33395	0.5
75.99503	0.6
92.21523	1.1
99.04461	3.6
101.18092	0.6
119.04945	0.9
133.03940	0.6
143.03337	0.6
147.04401	0.9
174.19966	0.5
175.03899	8.1
191.07042	0.7
207.06528	22.4
224.75696	0.7
225.07544	0.9
230.66103	0.6
276.06381	0.8
281.10217	1.3
290.08093	5.6
299.11252	2.3
304.06100	6.1
318.07623	9.1
318.95868	0.6
319.08389	47.2
320.09271	2.5
334.10733	100.0
350.98792	0.6
365.15726	0.9
383.16974	1.0
660.24475	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21633	0.4
57.33395	0.5
75.99503	0.6
92.21523	1.1
99.04461	3.6
101.18092	0.6
119.04945	0.9
133.03940	0.6
143.03337	0.6
147.04401	0.9
174.19966	0.5
175.03899	8.1
191.07042	0.7
207.06528	22.4
224.75696	0.7
225.07544	0.9
230.66103	0.6
276.06381	0.8
281.10217	1.3
290.08093	5.6
299.11252	2.3
304.06100	6.1
318.07623	9.1
318.95868	0.6
319.08389	47.2
320.09271	2.5
334.10733	100.0
350.98792	0.6
365.15726	0.9
383.16974	1.0
660.24475	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26153	0.3
53.03950	0.8
57.03439	0.7
69.03411	0.6
70.53849	0.3
77.26985	0.4
77.27423	0.4
77.59566	0.4
79.91666	0.4
81.03423	2.6
85.02907	2.2
91.05518	0.6
97.02915	0.6
99.04465	18.3
117.05405	0.4
117.42724	0.4
119.04927	4.3
123.04423	0.5
127.03918	0.8
147.04398	6.7
163.03822	0.5
175.03903	34.6
179.07050	0.6
191.07083	0.6
192.04152	4.6
205.04999	3.6
207.06534	100.0
215.10739	0.5
217.08760	0.5
223.06003	5.5
224.06802	0.4
225.07547	5.3
233.08113	0.4
241.08556	1.4
245.11644	0.7
249.07585	7.0
253.68901	0.5
258.08926	0.6
259.95285	0.4
263.09088	0.5
273.10995	0.4
281.10196	9.8
290.08044	0.6
291.12317	0.7
299.11288	20.1
304.06049	0.8
318.07489	1.5
319.08395	6.5
320.09100	1.4
328.10788	0.4
334.10739	15.2
347.15060	0.7
365.16125	4.8
383.17026	13.3
416.36404	0.4
469.77509	0.4
496.73770	0.4
505.17020	0.9
625.24646	0.7
660.24982	2.9
677.05359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26153	0.3
53.03950	0.8
57.03439	0.7
69.03411	0.6
70.53849	0.3
77.26985	0.4
77.27423	0.4
77.59566	0.4
79.91666	0.4
81.03423	2.6
85.02907	2.2
91.05518	0.6
97.02915	0.6
99.04465	18.3
117.05405	0.4
117.42724	0.4
119.04927	4.3
123.04423	0.5
127.03918	0.8
147.04398	6.7
163.03822	0.5
175.03903	34.6
179.07050	0.6
191.07083	0.6
192.04152	4.6
205.04999	3.6
207.06534	100.0
215.10739	0.5
217.08760	0.5
223.06003	5.5
224.06802	0.4
225.07547	5.3
233.08113	0.4
241.08556	1.4
245.11644	0.7
249.07585	7.0
253.68901	0.5
258.08926	0.6
259.95285	0.4
263.09088	0.5
273.10995	0.4
281.10196	9.8
290.08044	0.6
291.12317	0.7
299.11288	20.1
304.06049	0.8
318.07489	1.5
319.08395	6.5
320.09100	1.4
328.10788	0.4
334.10739	15.2
347.15060	0.7
365.16125	4.8
383.17026	13.3
416.36404	0.4
469.77509	0.4
496.73770	0.4
505.17020	0.9
625.24646	0.7
660.24982	2.9
677.05359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.5
67.05497	10.7
69.07067	8.0
77.44912	1.9
79.05497	15.0
81.07059	16.5
83.08614	3.1
85.06548	15.7
91.05469	7.0
93.07042	29.8
95.05009	1.8
95.08614	14.7
99.04447	14.3
105.07013	9.1
107.08591	17.6
109.10152	9.3
119.08590	8.6
121.10149	10.4
125.85642	2.0
131.08580	2.9
133.10135	7.8
135.11688	8.6
145.10101	1.9
147.11694	4.2
149.13237	2.7
161.13214	2.0
165.05466	4.0
174.05490	4.7
215.85217	1.9
277.21701	7.6
307.08359	4.0
322.07245	2.7
336.12335	3.6
338.10309	8.7
351.07336	16.1
365.30286	2.5
366.09668	100.0
366.14212	3.6
384.10709	86.9
642.43225	2.6
660.41754	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.353
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45471	2.0
68.40797	2.1
80.54033	2.1
95.08598	3.0
98.03999	2.2
99.08083	2.3
142.85025	2.3
161.17236	2.4
165.09094	4.8
192.10030	3.2
255.13591	2.4
292.09634	2.3
320.09274	22.1
330.20822	2.8
334.10727	4.4
336.08585	4.5
336.12274	72.5
346.20108	5.6
348.21457	3.2
363.64914	2.8
386.13889	27.0
389.12653	4.4
546.24719	22.7
660.35504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	1.0
53.03954	4.3
57.63910	0.7
64.59216	1.0
66.72659	0.9
69.03437	1.6
69.07074	1.5
71.04996	15.2
73.06557	4.0
76.32312	0.9
79.05492	2.0
81.03432	8.7
81.07061	16.3
85.02908	6.1
88.93233	0.9
93.07053	12.8
95.08620	3.9
97.02876	2.1
99.04459	95.9
107.08611	9.3
109.10161	1.3
117.05493	17.9
127.03938	2.2
135.11699	26.0
139.16306	0.8
145.73605	1.0
153.12750	100.0
153.49786	1.0
167.07039	1.6
181.08589	2.4
185.22253	1.0
207.06494	4.2
243.08577	1.1
261.09668	22.3
290.08145	1.7
318.07697	2.0
319.08331	12.9
320.08887	7.6
334.10715	31.3
335.11191	1.1
336.12289	5.0
356.44971	1.3
467.21976	1.0
660.19055	5.1
660.28625	1.3
670.28821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	1.0
53.03954	4.3
57.63910	0.7
64.59216	1.0
66.72659	0.9
69.03437	1.6
69.07074	1.5
71.04996	15.2
73.06557	4.0
76.32312	0.9
79.05492	2.0
81.03432	8.7
81.07061	16.3
85.02908	6.1
88.93233	0.9
93.07053	12.8
95.08620	3.9
97.02876	2.1
99.04459	95.9
107.08611	9.3
109.10161	1.3
117.05493	17.9
127.03938	2.2
135.11699	26.0
139.16306	0.8
145.73605	1.0
153.12750	100.0
153.49786	1.0
167.07039	1.6
181.08589	2.4
185.22253	1.0
207.06494	4.2
243.08577	1.1
261.09668	22.3
290.08145	1.7
318.07697	2.0
319.08331	12.9
320.08887	7.6
334.10715	31.3
335.11191	1.1
336.12289	5.0
356.44971	1.3
467.21976	1.0
660.19055	5.1
660.28625	1.3
670.28821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.4
55.75782	1.3
67.05516	2.0
69.03439	2.5
73.02911	1.2
79.05483	1.5
81.07051	7.9
83.04533	2.6
83.04987	46.3
85.02912	51.2
91.03957	2.6
91.05473	2.2
93.07047	3.2
95.08620	8.0
95.91841	1.5
97.02884	13.1
99.04473	2.5
105.07038	9.1
107.08604	7.0
109.02898	6.7
109.06551	2.1
109.10157	7.4
111.04469	1.4
119.08548	5.4
121.10133	8.3
123.08171	1.5
125.09638	1.8
127.03955	11.9
131.08574	3.4
133.10127	7.6
135.11687	7.8
145.04971	15.5
145.10199	10.3
147.11665	14.3
149.09630	2.0
149.13242	1.5
157.10188	2.8
159.11702	10.1
161.13239	9.9
163.05913	1.9
165.09108	2.2
169.10104	1.5
173.13210	2.2
183.11661	1.8
185.13297	5.8
187.14844	2.1
190.22177	1.4
194.41820	1.4
194.91544	1.5
199.14810	8.1
201.16383	36.3
209.13132	1.9
223.14783	1.5
225.16431	3.1
255.21112	31.2
265.19495	5.5
283.20547	49.6
285.22198	2.6
301.21625	100.0
318.07837	1.5
319.08282	5.1
320.05853	1.8
320.09061	11.3
321.09628	3.1
322.10532	1.6
325.11386	15.8
334.10632	11.7
335.11066	1.9
336.12326	26.2
433.74991	1.4
516.58563	1.5
552.84534	1.6
644.18170	1.8
660.19629	9.4
660.31921	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
53.15219	0.8
53.24974	0.7
55.05514	6.2
55.60373	0.9
57.07077	4.5
59.45749	0.9
67.05507	10.2
69.03419	6.5
69.07079	9.7
71.05002	2.2
71.08621	1.3
71.84216	0.9
73.02918	23.1
73.11721	1.0
79.05501	4.4
81.03420	18.1
81.07063	16.2
83.04979	4.1
83.08607	9.7
85.02895	10.0
85.59065	1.0
87.04472	4.5
91.05474	2.1
93.07043	7.8
95.04958	2.2
95.08605	12.2
97.02898	13.2
97.10165	8.2
97.15131	0.9
99.04454	100.0
105.07035	3.9
107.08606	6.8
109.02881	5.9
109.06506	1.3
109.10146	7.8
111.04442	1.9
111.08062	1.4
111.11728	1.6
117.07019	1.3
119.08584	5.1
121.06531	1.7
121.10155	7.1
123.11728	1.8
127.03918	9.4
131.08551	1.9
133.10139	2.4
135.11702	8.4
141.05447	4.5
145.10127	1.8
149.13245	2.6
149.35356	1.2
157.10152	1.3
159.11707	1.7
161.13274	1.2
178.46529	1.0
188.78381	1.1
203.18088	1.2
236.16849	1.0
243.08589	15.4
247.24254	1.2
265.25348	2.5
349.27310	1.6
355.26340	2.4
373.27487	10.6
391.28409	17.4
409.29410	5.9
471.30783	9.5
489.32089	35.0
503.55023	1.3
507.33173	27.9
525.34241	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.5
57.03441	11.3
57.07080	11.2
67.05506	67.3
68.90394	5.2
69.03437	61.2
69.07061	35.8
71.39751	5.0
75.58215	5.8
79.05473	21.7
81.03416	46.4
81.07062	100.0
83.08626	25.4
85.02911	37.7
87.04474	13.2
91.05468	13.0
93.07020	46.5
95.04985	6.9
95.08586	82.5
97.02882	41.7
97.06529	8.8
97.10201	7.0
99.04426	8.3
100.85633	5.7
105.07043	30.6
107.08595	34.0
109.02879	12.2
109.10138	26.0
111.08035	6.4
115.03947	28.2
117.07060	11.9
119.08576	33.2
121.10132	23.2
123.08041	6.4
127.03879	12.6
131.08575	25.6
131.44737	5.7
133.04974	30.3
133.10066	22.1
135.11687	14.9
143.08640	8.4
147.11716	11.6
149.13258	11.2
150.07599	31.7
177.12741	46.3
178.59619	6.4
187.70975	6.9
190.27843	6.3
195.10143	9.1
213.16434	6.8
229.32704	6.8
250.87898	9.4
305.24777	6.7
322.10590	7.6
334.10587	8.3
336.12329	11.4
371.25775	40.0
389.26859	49.1
407.27805	67.9
418.44901	6.6
425.28995	36.4
475.33908	15.5
482.29755	7.3
493.35406	9.1
532.15289	6.5
625.57343	6.9
660.34381	30.7
660.51312	26.2
662.03943	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76845	2.8
53.03964	6.9
55.05500	4.8
57.07082	3.4
63.24062	2.6
65.98816	2.5
67.05511	22.4
68.58449	2.5
69.03429	6.9
69.07062	11.1
73.02909	21.9
79.05518	5.2
81.03423	16.8
81.07073	22.1
81.07479	3.2
85.02901	4.7
85.06547	53.1
91.05479	5.3
93.07037	14.9
95.08604	19.2
97.02895	5.9
99.04459	100.0
105.07000	4.9
106.12828	2.6
106.30357	2.6
107.08624	5.2
109.10156	5.1
111.15931	2.8
118.87557	2.6
119.08558	3.7
121.10167	5.3
127.03905	13.7
127.27599	2.5
129.06985	3.5
131.08585	11.2
135.11697	4.5
138.33357	2.8
141.05507	4.7
145.10126	4.7
147.08070	3.2
147.11696	4.3
149.13210	3.9
161.13399	3.1
182.80069	2.8
199.86934	2.8
235.16974	4.2
243.08698	12.6
320.09271	19.0
336.12225	40.0
353.24496	3.6
371.25870	11.5
385.33157	2.8
389.27060	11.3
407.27936	10.5
469.29388	15.5
487.30670	25.3
489.31311	3.2
505.31702	25.0
507.24026	2.8
523.33203	3.6
529.13892	3.1
626.96387	3.5
660.35156	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54198	0.6
55.05461	0.5
62.49833	0.6
67.28578	0.6
70.70559	0.5
76.13882	0.5
81.07065	0.7
85.02946	0.6
95.08585	0.8
111.85210	0.6
120.74987	0.6
122.67988	0.6
174.05521	6.0
186.05507	1.2
187.06248	0.8
248.07089	1.3
249.07797	5.6
264.06720	3.1
276.06650	2.4
277.07297	3.1
278.08255	0.8
292.06064	10.1
292.09335	1.0
293.06815	1.1
294.07745	4.0
296.09180	0.7
305.06812	5.4
306.07629	32.2
307.08405	8.4
308.05707	1.1
308.09177	1.4
309.06219	0.8
310.10883	1.0
319.08359	0.8
320.09000	2.4
321.09927	1.2
322.07101	100.0
322.10226	4.6
323.07901	18.4
324.08713	7.8
325.09448	1.2
336.11990	0.8
338.10205	45.0
339.10983	6.4
340.11896	5.1
342.08893	0.7
393.19049	0.7
661.18195	55.0
661.31555	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54198	0.6
55.05461	0.5
62.49833	0.6
67.28578	0.6
70.70559	0.5
76.13882	0.5
81.07065	0.7
85.02946	0.6
95.08585	0.8
111.85210	0.6
120.74987	0.6
122.67988	0.6
174.05521	6.0
186.05507	1.2
187.06248	0.8
248.07089	1.3
249.07797	5.6
264.06720	3.1
276.06650	2.4
277.07297	3.1
278.08255	0.8
292.06064	10.1
292.09335	1.0
293.06815	1.1
294.07745	4.0
296.09180	0.7
305.06812	5.4
306.07629	32.2
307.08405	8.4
308.05707	1.1
308.09177	1.4
309.06219	0.8
310.10883	1.0
319.08359	0.8
320.09000	2.4
321.09927	1.2
322.07101	100.0
322.10226	4.6
323.07901	18.4
324.08713	7.8
325.09448	1.2
336.11990	0.8
338.10205	45.0
339.10983	6.4
340.11896	5.1
342.08893	0.7
393.19049	0.7
661.18195	55.0
661.31555	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25770	2.5
55.83300	2.0
56.61415	2.3
64.35178	2.6
78.08455	2.1
123.51934	2.6
142.49763	2.3
143.01897	14.1
145.03442	4.3
155.01868	9.3
157.03479	5.0
161.02960	12.8
162.81888	2.7
168.01903	2.8
173.02946	6.1
175.04533	2.9
181.03516	5.5
185.02913	5.0
190.11256	2.7
199.04515	81.3
199.06400	2.8
203.04086	10.4
211.04500	50.2
213.06137	4.6
217.05551	21.5
221.02960	5.0
221.05066	15.1
223.04497	14.5
225.06055	3.1
229.05573	11.8
235.04483	16.2
239.03917	4.6
241.05608	31.4
253.05461	18.0
259.06351	2.8
263.03931	2.8
265.05423	2.6
277.05603	11.6
283.06659	14.2
289.05484	4.0
293.05048	16.3
294.05823	21.0
301.07608	57.4
311.06277	3.7
319.09265	39.3
337.07709	87.0
341.07224	3.8
347.06140	39.4
355.08734	100.0
365.07022	22.4
372.14777	3.0
383.08237	80.9
401.09329	78.2
419.10483	17.9
443.10181	16.8
473.11319	4.0
481.11984	19.5
499.12830	19.8
503.12515	25.2
541.14026	35.1
545.13617	10.4
563.14374	16.8
601.16278	35.3
661.18213	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2139
Annotation	Glycobismine G
Peak:m/z	Relative Intensity
65.92409	2.7
67.05535	3.3
68.68560	3.3
81.07083	3.6
85.02862	3.3
95.08594	3.9
97.02917	3.3
102.47795	2.6
104.54897	3.1
138.59164	3.0
146.23112	2.6
147.11736	2.7
155.01035	3.4
160.12236	3.4
162.61797	3.0
177.87871	2.9
232.08508	3.6
310.05911	2.9
335.25677	5.0
337.12585	3.3
400.15454	39.5
414.16687	11.4
415.17441	3.5
428.18362	18.8
429.19250	89.1
444.14279	6.8
455.17151	30.5
456.17938	11.1
472.16959	4.7
473.18225	45.4
482.15631	3.9
483.16632	22.8
501.17200	26.5
527.15454	17.9
529.20203	3.9
530.21362	21.1
531.17633	4.3
539.19409	28.5
540.19678	32.9
541.17194	4.2
546.21100	12.9
557.20337	32.8
558.20605	6.3
574.20612	93.4
589.22833	11.3
601.19019	14.0
602.19556	4.3
605.21844	4.3
615.20581	17.3
617.22668	33.7
633.21637	14.6
643.20245	56.3
661.21436	100.0
661.34644	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.219
Annotation	Glycobismine G
Peak:m/z	Relative Intensity
51.02748	0.6
58.06591	0.8
59.97134	0.7
63.49198	0.7
70.02966	0.8
70.06588	1.0
74.91057	0.7
84.04498	4.8
90.20207	0.7
91.05505	0.8
99.05563	1.4
103.06689	0.8
130.04985	6.7
133.93056	1.0
137.06032	0.8
145.06081	5.3
149.05954	5.5
153.06660	0.9
167.79877	0.8
169.03192	1.0
176.07068	1.4
177.03290	3.3
178.08627	1.0
181.03146	3.0
181.06033	1.1
183.04778	1.0
188.07060	31.8
189.07837	6.6
190.08653	5.6
205.03244	0.8
206.08211	5.6
206.11798	1.2
209.02844	2.4
222.05838	8.4
240.06908	1.2
250.05502	1.3
251.10887	0.8
259.11969	2.9
263.10666	1.2
265.08310	1.0
266.00946	0.8
272.93607	0.8
276.07602	0.9
280.10901	1.1
291.06799	1.1
291.09927	6.7
306.05423	1.5
306.08829	4.8
308.09952	1.1
309.05960	1.1
310.14096	0.8
311.12738	1.6
322.10645	6.9
322.14328	8.8
323.15164	4.4
324.09152	1.5
324.12820	6.4
336.12265	3.8
337.05286	12.5
337.13226	7.3
338.13806	14.8
339.06708	1.0
339.10510	1.0
339.14603	22.0
343.06387	1.4
350.04184	1.1
354.16977	75.0
370.11008	3.9
388.12024	10.6
405.89658	0.8
532.16974	1.7
643.20148	1.6
661.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2175
Annotation	Glycobismine G
Peak:m/z	Relative Intensity
53.45049	1.0
56.35978	0.9
62.64907	1.0
67.05508	2.4
69.07082	1.7
79.05502	1.3
80.29090	1.1
80.94705	1.0
81.07063	2.6
93.07053	2.6
95.08648	2.2
97.30640	1.0
98.98454	1.4
107.08570	1.5
107.86637	1.0
109.06634	1.1
116.62778	1.0
119.08581	1.8
121.06522	2.2
121.10093	1.6
155.01076	1.6
174.05513	1.4
227.32797	1.1
294.11691	1.4
305.06894	2.6
306.07721	5.5
321.07318	1.5
322.10797	2.4
323.11447	1.7
334.07117	6.6
335.25903	6.4
336.12555	2.5
337.12875	1.5
338.13885	2.3
349.09439	2.1
406.11292	1.3
422.10272	4.8
424.12082	2.4
433.09576	2.4
436.12112	2.5
437.12939	2.1
438.09668	4.8
440.11331	4.4
447.11188	1.8
448.08566	1.4
449.08984	1.4
450.09683	2.2
452.11835	1.7
453.11768	2.0
454.12631	8.0
455.13620	5.3
464.11481	6.6
465.12082	2.3
466.08994	18.8
468.14667	2.0
480.10614	10.5
481.11566	7.7
482.12238	1.8
492.11142	1.8
494.08737	5.5
496.13968	6.2
497.13739	2.0
509.10913	2.2
524.13184	10.4
575.18298	1.4
587.17981	1.7
589.19226	1.8
600.19293	2.3
602.20251	6.8
603.17719	17.8
617.19226	11.2
618.19861	1.6
622.02954	1.3
632.21381	5.3
633.22302	51.1
661.21783	100.0
661.31671	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99463	0.3
55.70081	0.4
62.98421	0.3
136.69727	0.4
145.02821	0.5
150.06619	0.5
165.83920	0.4
177.05531	1.5
217.28867	0.4
230.74091	0.4
250.46922	0.4
292.06088	2.6
292.09351	0.3
308.09082	0.4
318.04306	0.5
318.07452	0.5
319.08340	1.5
320.05560	100.0
320.09045	7.9
321.09598	6.7
324.12286	1.8
334.10773	2.1
336.12283	0.6
337.12723	0.4
359.07529	0.5
442.09262	0.9
446.25790	0.5
451.10223	0.7
470.08865	4.0
471.09628	0.7
482.12173	3.0
486.11874	14.1
488.13504	0.6
598.46808	0.5
660.50946	0.5
661.20203	6.1
661.31494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
63.76931	1.4
66.89806	1.7
67.05489	1.8
68.34407	1.6
69.03430	9.7
76.98703	1.4
79.59732	1.7
81.03412	7.6
85.02921	18.5
97.02876	7.0
99.04446	9.3
109.02827	3.0
127.03919	3.7
143.04593	1.8
148.30078	2.0
166.76437	1.6
191.07013	2.1
247.07376	3.5
248.08199	2.5
261.09100	2.3
263.06927	2.9
264.07678	2.6
265.08517	2.4
275.06796	2.0
277.08511	7.5
278.09396	3.8
279.10135	8.1
282.72406	1.6
290.08551	1.7
291.10330	3.8
292.07510	2.0
292.10886	6.5
293.08292	12.0
293.11240	2.8
304.07040	1.7
305.08133	10.4
306.08817	8.3
307.06354	2.9
307.09561	20.1
308.10416	24.0
309.07687	3.7
309.10895	4.5
318.08081	2.7
319.08578	10.8
320.09152	26.5
321.07541	12.6
321.11221	24.6
322.08282	5.7
322.11951	7.6
323.09201	8.6
333.07578	3.3
334.11060	17.1
335.08945	2.3
335.11093	9.8
336.09866	9.9
337.10706	10.2
338.11539	3.6
339.12204	15.1
348.09927	6.8
349.06952	2.6
349.10696	15.6
350.07852	7.4
351.08487	9.8
351.12332	19.8
352.09241	3.1
353.09970	3.0
353.13712	2.8
365.10104	16.0
366.10840	3.1
367.07941	6.4
367.11734	27.4
369.13379	8.2
379.11755	16.5
382.10501	6.5
397.12817	100.0
415.14059	3.5
435.18158	2.3
529.16882	12.5
541.16638	2.8
559.19415	2.0
639.16351	2.1
643.23669	10.4
661.25092	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
61.02938	3.5
69.03431	21.7
81.03433	3.6
85.02916	35.7
87.04461	3.3
97.02877	17.0
127.03910	4.5
145.04971	4.3
242.91908	2.5
247.07471	3.2
249.09161	3.9
262.09903	3.3
263.10529	2.3
264.07822	2.6
277.08533	16.5
278.09192	5.0
279.10086	11.1
291.10101	3.4
292.10956	29.9
293.08096	11.2
293.11490	4.3
294.08856	3.2
305.08026	10.5
306.08777	3.3
307.09717	20.1
308.10477	23.3
309.07681	2.6
309.11212	3.0
319.08932	11.0
320.09128	18.3
321.10837	17.2
322.11859	9.8
323.09088	5.1
323.12662	10.1
333.07544	4.0
334.10666	20.6
336.09616	17.8
337.10660	4.4
339.12244	9.4
348.09790	14.0
349.06934	3.0
349.10715	8.6
349.40894	2.8
351.08398	4.9
351.12256	5.1
352.09253	4.7
353.13855	4.5
365.10172	4.3
366.10947	2.6
367.11710	12.9
369.09079	2.9
379.11850	4.9
383.11511	3.2
385.12714	9.9
397.12769	100.0
415.13965	18.7
449.15442	3.1
469.18491	25.1
552.30090	2.6
661.24072	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79140	0.8
56.98204	0.9
57.66893	0.9
61.13491	0.9
64.34164	0.9
70.44578	0.8
92.20989	1.2
136.40056	1.2
163.81429	0.9
165.09045	1.0
178.08658	1.7
190.08635	28.9
191.09460	4.1
204.10245	8.5
206.11761	97.6
218.11760	28.0
243.05882	1.1
297.11432	1.1
309.11478	1.7
312.13699	1.5
324.16122	4.2
338.13876	1.6
339.14697	8.5
340.15448	24.2
354.17004	62.4
355.17780	8.5
388.15985	5.8
661.25415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95623	0.5
70.06590	0.5
74.31912	0.5
145.06068	0.7
150.06795	0.6
151.07552	1.1
165.09148	0.6
178.08603	1.9
190.08594	21.5
191.09402	5.3
192.10234	1.2
204.10194	7.1
206.11748	78.5
218.11757	22.6
218.13759	1.0
281.11536	0.7
289.50635	0.5
291.10165	0.8
293.11792	0.6
309.11139	0.8
311.13068	0.6
312.13690	2.4
324.12756	1.1
324.16455	3.8
326.14072	1.1
338.13873	1.1
339.14682	6.3
340.15414	17.7
354.16986	48.2
355.17703	6.9
388.15607	5.1
420.29910	0.6
473.40097	0.6
531.45642	0.6
661.25354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95623	0.5
70.06590	0.5
74.31912	0.5
145.06068	0.7
150.06795	0.6
151.07552	1.1
165.09148	0.6
178.08603	1.9
190.08594	21.5
191.09402	5.3
192.10234	1.2
204.10194	7.1
206.11748	78.5
218.11757	22.6
218.13759	1.0
281.11536	0.7
289.50635	0.5
291.10165	0.8
293.11792	0.6
309.11139	0.8
311.13068	0.6
312.13690	2.4
324.12756	1.1
324.16455	3.8
326.14072	1.1
338.13873	1.1
339.14682	6.3
340.15414	17.7
354.16986	48.2
355.17703	6.9
388.15607	5.1
420.29910	0.6
473.40097	0.6
531.45642	0.6
661.25354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75650	0.4
72.83121	0.3
73.37884	0.3
73.90878	0.3
75.41628	0.3
82.98062	0.3
165.08978	0.4
190.08624	6.8
191.09375	3.2
204.10187	1.9
206.11755	100.0
218.11792	4.3
259.76440	0.4
291.10046	0.6
307.93033	0.4
324.15881	0.5
339.14642	0.6
340.15573	3.5
352.03519	0.4
354.16980	10.5
355.17786	1.7
388.15842	1.8
588.76459	0.5
661.25342	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75650	0.4
72.83121	0.3
73.37884	0.3
73.90878	0.3
75.41628	0.3
82.98062	0.3
165.08978	0.4
190.08624	6.8
191.09375	3.2
204.10187	1.9
206.11755	100.0
218.11792	4.3
259.76440	0.4
291.10046	0.6
307.93033	0.4
324.15881	0.5
339.14642	0.6
340.15573	3.5
352.03519	0.4
354.16980	10.5
355.17786	1.7
388.15842	1.8
588.76459	0.5
661.25342	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09488	0.5
66.38621	0.5
68.60802	0.5
117.38873	0.5
154.47855	0.5
177.05455	0.7
198.10225	0.6
290.08099	10.2
302.08145	2.8
304.06116	9.1
318.07578	11.4
319.08395	56.0
320.04865	0.6
320.09082	2.8
321.09555	1.0
334.10733	100.0
335.11047	0.7
336.12155	2.4
337.12653	1.1
631.16718	1.0
646.19049	1.1
661.25299	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71286	1.5
81.07101	1.9
95.17579	1.5
104.62106	1.6
114.24932	1.6
136.76135	1.6
148.28911	1.7
158.89680	1.8
169.47960	1.8
199.59883	1.6
214.16039	2.0
220.66156	1.7
320.09253	2.6
321.10098	2.0
337.12854	3.4
661.33453	100.0
661.45490	5.3
662.61896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80172	0.8
58.08825	0.8
67.05531	1.4
68.52641	1.0
69.07061	1.0
81.07081	1.1
95.08663	1.6
99.04476	1.1
132.10219	1.7
180.74312	1.1
190.04955	1.0
237.66978	1.0
269.10239	1.0
286.27515	1.3
300.29318	1.5
316.28625	1.2
334.11005	1.3
335.25745	1.2
336.12622	1.3
337.20584	1.2
367.13675	2.4
415.24579	1.5
496.21744	1.2
535.12317	1.3
571.45636	1.2
625.52484	1.3
661.35632	100.0
661.53644	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00459	0.7
51.18913	0.8
53.21354	0.8
60.73486	0.8
64.22905	0.9
68.65624	1.0
69.07082	0.9
71.46369	0.9
74.71806	0.9
76.44852	0.9
81.07051	1.5
92.21035	2.5
92.77513	0.9
93.07079	1.1
95.08633	1.5
99.04431	1.3
104.25084	1.0
107.08605	1.5
121.10178	1.0
130.63435	1.1
140.48174	1.0
162.53700	0.9
240.61888	1.1
278.37115	1.1
290.94998	1.0
302.11145	1.1
309.76837	1.0
340.83878	1.1
636.02747	1.1
660.66675	1.2
661.35449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90869	0.7
67.05499	1.9
69.01698	0.8
75.63868	0.8
79.05488	1.0
81.07060	1.7
81.52190	0.8
93.07060	1.0
95.08617	0.9
99.04480	1.4
100.27380	0.7
101.09509	0.7
105.07053	0.9
107.08614	1.5
113.88048	0.9
121.10182	0.8
132.10223	1.4
153.07443	1.0
155.01036	3.3
182.52177	0.8
183.49817	0.9
300.28821	1.4
320.09015	1.0
321.09720	1.4
335.26062	3.8
336.12054	1.4
367.13892	1.3
415.24551	1.1
435.80624	0.9
446.40225	0.8
483.35638	1.0
625.51703	1.8
661.35608	100.0
661.53455	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05520	4.7
55.65821	1.1
55.91494	1.0
57.03449	10.2
57.07092	1.5
58.84063	0.9
60.52091	0.9
61.02936	27.9
66.46209	1.2
67.05508	15.1
69.03429	10.9
69.07080	8.0
71.01360	1.5
71.04986	1.6
73.02925	10.2
79.05496	4.8
79.84860	1.0
81.03421	13.1
81.07058	18.6
83.05006	1.8
83.08634	5.0
85.02909	29.0
85.03381	2.0
91.03952	15.3
91.05479	2.8
93.07051	8.0
95.04977	1.3
95.08617	16.1
97.02897	22.3
97.10165	1.4
99.04430	8.5
101.02391	2.3
103.03965	6.3
105.07057	1.7
107.08636	5.5
109.02904	4.6
109.10169	7.5
115.03978	2.6
119.08618	1.6
121.10148	5.2
123.11735	1.4
127.03914	11.8
133.10178	2.4
135.11717	2.4
145.04938	4.3
147.11716	2.8
183.06625	5.5
245.22568	2.1
263.23724	5.5
269.09839	1.5
270.17303	1.3
310.25998	1.1
317.24561	1.6
320.09256	2.3
321.09521	2.0
336.12524	2.3
337.12994	1.9
337.27316	27.3
360.38959	1.5
367.13846	6.8
421.29681	1.8
439.15744	2.8
445.30176	3.8
481.20377	2.2
481.31757	8.2
499.32996	2.5
523.24652	2.0
617.24109	1.3
661.35858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72232	0.4
52.42459	0.5
53.51821	0.4
74.05305	0.6
81.07080	1.3
83.05020	0.6
95.08580	0.9
99.04474	2.9
119.08492	0.6
121.10182	0.6
132.75436	0.7
141.05270	0.7
219.29065	0.7
293.95688	0.6
383.13449	1.0
543.29230	2.5
557.51831	0.6
661.35516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3707
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
56.65106	1.2
68.64368	1.4
69.00384	1.6
71.51077	1.4
100.64321	1.7
139.38597	1.3
148.35376	1.5
150.90508	1.6
261.80737	1.6
427.74292	1.8
661.37079	100.0
661.54364	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03554	6.9
62.05373	7.9
66.06220	8.7
68.99633	10.2
91.18396	9.9
94.84288	9.8
97.20694	11.1
99.08536	9.0
102.07595	9.3
186.89745	9.8
210.51913	10.4
222.14511	10.9
236.32820	11.5
312.32553	10.0
316.83383	11.6
336.12302	63.5
598.62201	11.4
661.46332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61417	0.5
60.60765	0.6
62.17265	0.6
82.54153	0.5
85.02908	1.3
90.72495	0.6
94.53265	0.6
122.20716	0.7
127.03903	0.6
190.01491	0.6
249.98615	0.7
292.09677	4.0
301.07898	0.8
307.08365	6.0
308.09158	93.4
320.09158	100.0
321.09988	3.2
323.11172	0.7
334.10779	1.1
482.14478	5.5
500.15271	6.2
654.12372	0.8
662.20764	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18850	0.3
55.68091	0.4
58.06442	0.3
58.06690	0.8
69.03515	0.6
69.77911	0.3
70.03049	0.4
85.03008	1.4
97.03016	0.6
99.04543	0.3
109.03048	0.4
113.02441	0.4
127.04045	1.3
142.49243	0.3
145.06075	3.7
190.08582	3.3
191.02493	0.4
191.09317	1.7
192.10187	0.6
205.11015	0.4
207.04863	1.7
208.05182	0.5
292.09702	5.4
293.11276	1.7
299.12796	0.9
300.12985	0.5
307.08423	6.1
308.09155	98.2
309.09531	1.6
311.12424	0.5
318.07608	0.4
320.09164	100.0
321.09601	4.9
322.10724	0.7
322.14249	0.5
323.11496	1.2
323.14841	1.2
324.12506	1.3
324.15878	0.5
325.12836	1.4
326.13275	0.5
334.10602	0.8
338.10107	0.7
338.13748	1.4
339.14203	0.7
340.15332	4.8
341.15747	4.9
354.16742	0.8
355.17200	2.1
443.72952	0.4
464.12994	0.4
482.14474	5.9
500.15631	6.8
632.36279	0.5
662.19965	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16581	0.1
70.06563	0.2
74.60126	0.2
88.20431	0.2
106.58272	0.2
116.03853	0.2
322.07376	0.2
323.07858	8.9
336.08688	0.3
337.09430	0.7
338.10211	100.0
381.60382	0.2
394.22964	0.2
488.05521	0.2
500.15475	11.8
614.31659	0.2
617.53540	0.2
662.20746	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31858	0.6
54.28491	0.5
59.61100	0.6
60.29959	0.6
69.03416	0.7
79.93515	0.7
85.02866	0.9
96.00937	0.8
110.13571	0.6
292.09662	6.2
307.08368	2.7
308.09152	83.5
309.09476	6.2
318.21594	0.7
320.09152	100.0
321.09460	13.6
322.10739	4.6
323.11176	5.1
324.12097	0.7
325.12860	1.4
326.13248	0.6
340.15231	0.7
341.15900	0.8
482.14111	3.2
500.15411	13.1
662.20557	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75027	0.4
68.50133	0.4
69.03427	0.9
75.07269	0.4
75.68292	0.4
80.55712	0.5
85.02927	1.8
99.46759	0.5
127.03937	0.6
145.04976	0.6
168.73477	0.4
290.07840	0.6
292.09659	4.2
293.09988	0.8
307.08273	3.2
308.09177	97.5
309.09482	8.0
318.24225	0.5
320.09177	100.0
321.09503	12.7
322.10779	3.2
323.11209	3.6
338.10172	0.7
338.13864	2.1
368.14972	0.5
408.20157	0.5
482.14468	1.7
500.15439	9.3
519.32251	0.5
563.79901	0.5
662.20563	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18243	0.2
57.18528	0.2
59.23117	0.2
66.41694	0.2
73.41875	0.2
83.86860	0.2
90.71562	0.2
103.28651	0.2
134.53438	0.3
305.35837	0.3
323.07849	11.2
323.11426	0.5
337.09409	1.0
338.10199	100.0
385.80042	0.3
500.15454	10.9
501.71729	0.3
662.20764	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19674	0.2
64.90118	0.1
74.67815	0.1
84.83798	0.1
85.24432	0.2
91.26799	0.2
102.89160	0.2
158.70972	0.2
169.58673	0.2
181.13124	0.2
183.35854	0.2
290.08121	0.3
292.09637	3.2
318.07645	0.4
320.09158	100.0
427.74771	0.2
618.34833	0.2
662.22278	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83397	0.1
55.88631	0.1
98.38228	0.1
114.09148	0.1
134.39409	0.1
166.39983	0.1
209.16571	0.1
290.08084	0.5
292.09601	2.8
318.07611	0.7
320.09146	100.0
321.37540	0.1
334.10638	0.1
336.12207	0.6
647.98352	0.1
662.22302	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37221	0.2
77.68745	0.3
86.71969	0.3
91.17802	0.3
136.83080	0.3
137.75543	0.3
176.30981	0.3
219.68568	0.3
290.08066	0.4
292.09741	2.9
297.17624	0.3
318.07593	1.2
319.08389	2.1
320.09155	100.0
334.10721	5.1
396.16595	0.3
423.65274	0.3
662.22266	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65012	0.2
56.12171	0.2
69.36111	0.2
70.79097	0.2
85.39175	0.2
105.24429	0.2
109.49506	0.2
168.09195	0.2
234.17844	0.2
275.09506	0.3
278.08142	0.3
292.09680	10.1
304.09708	1.7
306.07587	2.8
320.05920	0.2
320.09171	14.5
321.09958	28.9
323.07919	0.3
334.11041	0.3
336.12296	100.0
353.82840	0.3
588.78864	0.2
662.22278	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
75.65672	0.1
81.17413	0.1
89.16140	0.1
290.08160	0.9
292.09637	2.9
302.07834	0.2
304.05963	0.9
318.07648	1.8
319.08350	5.6
320.09152	100.0
334.10699	11.4
356.17178	0.2
662.22278	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21317	0.1
57.52982	0.1
64.10677	0.1
71.14141	0.1
71.17869	0.1
80.33592	0.1
98.94660	0.2
99.04398	1.0
102.51413	0.1
115.11504	0.1
121.02891	1.1
127.78250	0.1
130.77577	0.2
195.97090	0.2
223.54167	0.2
239.75931	0.2
262.08649	0.2
290.07956	0.9
292.09601	4.1
304.05908	0.6
306.07593	0.3
318.07672	1.2
319.08389	3.7
320.09152	100.0
321.09863	1.9
334.10715	6.5
336.12259	5.6
336.16135	0.2
378.87750	0.2
416.92038	0.2
662.22290	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95439	0.2
111.46306	0.2
223.53470	0.2
290.08041	0.3
292.09625	2.9
318.07718	0.3
319.08344	0.4
320.09161	100.0
334.10696	1.3
499.79294	0.2
662.22321	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21317	0.1
57.52982	0.1
64.10677	0.1
71.14141	0.1
71.17869	0.1
80.33592	0.1
98.94660	0.2
99.04398	1.0
102.51413	0.1
115.11504	0.1
121.02891	1.1
127.78250	0.1
130.77577	0.2
195.97090	0.2
223.54167	0.2
239.75931	0.2
262.08649	0.2
290.07956	0.9
292.09601	4.1
304.05908	0.6
306.07593	0.3
318.07672	1.2
319.08389	3.7
320.09152	100.0
321.09863	1.9
334.10715	6.5
336.12259	5.6
336.16135	0.2
378.87750	0.2
416.92038	0.2
662.22290	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89320	0.1
57.37558	0.1
61.16172	0.2
205.53113	0.2
277.07370	0.2
290.08215	0.2
292.09650	3.6
292.87607	0.2
318.07526	0.4
319.08234	0.2
320.09152	100.0
334.10815	0.7
336.12234	2.0
462.36276	0.2
662.22314	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97670	0.2
60.87503	0.1
66.50563	0.2
113.19637	0.2
183.02493	0.2
206.97304	0.2
263.09741	0.2
290.08121	0.4
292.09665	2.7
304.06021	0.7
318.07562	1.2
319.08408	3.4
320.09164	100.0
334.10748	6.9
370.73175	0.2
545.69928	0.2
662.22296	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89284	0.8
64.77943	1.0
67.05488	1.7
69.04147	0.9
70.54519	0.8
79.05488	1.2
80.49571	1.0
81.07059	1.7
83.75835	1.1
88.88495	1.1
90.36552	1.0
93.07050	1.8
95.08607	1.3
101.29295	0.9
102.21282	1.0
111.19433	0.9
113.09068	1.0
119.08612	1.3
133.10107	1.1
159.11583	1.1
174.05547	2.2
193.12593	1.0
223.14085	1.1
233.48291	1.1
246.78458	1.0
279.75751	0.9
292.09796	1.9
304.09641	1.3
306.07788	1.6
310.10629	2.1
313.23929	0.9
320.09082	4.5
321.09973	12.8
322.10739	3.8
332.09064	1.9
333.09909	1.8
334.10904	1.6
336.08591	3.9
336.12274	51.7
337.09348	2.1
337.13065	4.3
338.09897	1.3
340.15601	1.2
346.10623	5.7
349.85156	1.1
350.10135	4.6
351.10904	1.1
352.07983	1.4
352.11722	1.8
352.15378	4.4
362.10052	1.4
364.11688	1.3
365.12769	1.4
368.11172	9.6
374.09845	1.0
378.13284	5.7
380.11255	30.7
388.08167	2.0
390.61691	1.2
391.10474	4.2
392.11304	1.8
395.95206	1.1
402.09113	1.3
403.10233	1.6
404.05875	1.8
404.11264	49.6
407.09955	7.6
409.69147	1.0
416.10989	1.8
417.12152	8.9
472.21100	1.7
473.49744	1.1
488.20142	1.4
490.22134	6.6
500.20792	8.6
502.22052	2.2
508.23227	19.4
518.22119	1.6
528.20337	10.5
536.22900	11.3
546.21216	48.2
564.22339	49.2
662.25586	100.0
662.33929	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79429	0.2
54.51138	0.3
69.46611	0.3
71.58798	0.3
73.96288	0.3
85.02883	0.3
97.62310	0.3
115.30106	0.3
125.33078	0.3
141.45221	0.3
149.05951	0.5
167.06902	0.5
177.27101	0.3
181.04924	0.5
209.08092	0.6
292.09628	2.8
296.05640	0.3
318.07452	1.0
319.08377	2.0
320.09171	100.0
321.09735	1.2
322.10471	0.5
334.10654	3.4
336.12308	3.5
451.55099	0.3
539.20618	0.3
662.26025	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04715	1.8
53.32361	2.2
54.16137	2.2
55.05521	4.4
55.68451	2.1
55.98354	2.2
62.75486	2.0
67.05511	9.9
69.07088	2.7
81.07072	13.3
91.05491	4.2
91.49606	2.3
93.07056	12.6
95.08611	6.1
96.71207	2.7
105.07061	3.9
107.08585	4.9
116.38089	2.5
120.67033	2.3
149.02353	9.9
150.06471	2.4
150.19231	2.3
156.39919	2.3
167.97696	2.6
174.05505	16.4
276.06540	51.2
280.06049	11.7
306.07556	9.1
320.05722	4.0
320.09146	24.6
321.09744	9.1
322.07019	10.9
322.10519	3.7
336.12338	19.0
350.06577	66.6
366.80286	2.8
368.07651	100.0
368.12213	3.8
375.87247	2.8
662.28687	36.1
662.46930	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41830	5.6
81.39643	6.5
108.69540	6.9
133.43320	6.1
144.19527	7.3
194.67418	6.8
204.55132	6.4
225.62523	7.3
313.76822	7.5
447.21793	7.0
452.13593	6.8
459.21759	52.9
475.21133	34.2
498.54645	7.0
519.23810	13.7
535.23834	12.5
547.26697	46.2
563.26416	15.6
606.28522	67.4
607.26398	8.2
622.27979	83.5
662.29474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23035	1.0
56.42859	1.3
59.81108	1.1
71.63741	1.1
81.07093	1.2
95.08585	1.2
97.10200	1.2
98.72273	1.5
102.10009	1.3
104.32084	1.3
119.20535	1.4
133.10112	1.6
165.05487	5.0
190.04977	27.2
191.79478	1.3
243.31892	1.2
259.53931	1.1
291.78979	1.2
292.06024	2.1
303.05206	1.5
318.07504	4.3
320.05652	3.6
321.06247	1.6
336.35794	1.3
346.06943	2.4
349.05621	10.2
364.08124	100.0
382.09146	68.1
647.98560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	3.4
57.35346	2.8
67.05506	37.9
69.07052	3.3
69.68887	2.7
79.05473	3.3
81.07066	49.0
83.08625	4.7
93.07078	5.2
95.08601	37.2
97.10142	4.1
107.08607	5.0
109.10168	13.9
111.06722	3.4
115.01781	3.6
121.10120	5.4
151.80272	3.4
226.08636	4.0
242.24913	3.4
279.23172	18.7
285.73132	3.5
306.07523	25.8
321.09903	23.6
322.07043	18.4
322.10605	6.3
333.98663	4.4
336.04947	4.0
350.06476	16.9
351.07214	35.9
366.09589	55.8
378.13394	13.3
384.10699	100.0
390.09631	15.1
402.13354	6.5
404.10919	27.6
405.11862	4.2
462.18976	19.3
476.20322	4.4
502.45502	3.9
516.20001	15.2
530.21344	3.9
562.24353	6.5
590.71722	3.4
616.32404	13.6
644.31696	22.3
662.34009	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63406	0.3
55.01881	22.8
55.05522	0.5
56.34887	0.3
57.42111	0.3
66.92849	0.3
67.05500	0.7
69.07072	34.1
73.06556	1.2
81.07048	1.4
87.08107	1.4
93.07041	0.7
95.08567	0.5
97.06532	100.0
103.52784	0.3
105.07052	0.6
107.08551	0.7
109.06460	0.3
109.10196	0.3
115.07568	13.5
119.08601	0.8
121.10169	0.4
129.09117	15.2
133.10101	0.5
135.11664	0.4
141.00978	0.3
141.70555	0.3
147.11627	0.6
157.08633	1.6
211.13274	22.0
225.36632	0.4
229.14400	1.3
243.15933	3.1
271.15317	4.4
316.14407	0.4
325.20126	2.0
343.21106	0.6
357.22824	3.2
391.70096	0.4
391.96469	0.3
403.23169	0.5
471.29358	0.6
662.41199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20260	0.3
55.05503	0.8
63.74414	0.3
72.35226	0.3
80.45916	0.4
83.04987	12.6
85.02905	0.5
85.98257	0.3
111.04443	10.2
116.86338	0.3
118.92091	0.3
121.66147	0.4
129.05455	0.5
138.48914	0.3
147.04422	2.7
153.01854	0.5
153.05469	1.9
171.06474	2.8
192.11960	0.4
207.06401	0.6
231.08582	4.0
243.34721	0.3
271.06006	100.0
292.09323	0.4
322.66208	0.4
334.10495	0.6
336.12396	2.7
337.12766	1.4
352.15338	1.3
415.10864	0.4
423.25708	0.4
433.11270	4.2
525.13806	0.6
592.32574	0.4
663.18207	5.7
663.29071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84387	0.1
53.41795	0.1
54.62175	0.1
55.05510	0.8
55.65909	0.1
64.25769	0.1
67.00614	0.2
68.99799	0.2
69.03429	0.8
74.02560	0.2
77.59929	0.1
83.04987	11.5
85.02927	1.2
92.43616	0.1
99.04449	0.2
102.38962	0.2
111.04441	15.9
116.90292	0.2
127.03889	0.4
129.05469	1.4
132.06230	0.2
145.02931	0.2
153.01866	0.2
153.05475	5.5
171.06522	1.8
175.03888	0.2
177.05450	0.2
213.07635	0.7
219.10219	0.2
231.08623	8.4
231.10938	0.4
259.10712	0.2
271.06000	100.0
309.07190	0.2
319.08298	0.4
320.09171	1.1
321.09741	0.8
322.10474	0.2
334.10712	0.9
336.12238	0.9
337.12881	0.4
345.05902	0.2
433.11282	4.7
525.13739	0.4
645.18329	0.2
663.19177	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63932	0.5
72.43616	0.6
73.08887	0.5
119.01927	0.6
131.01929	0.9
138.90004	0.6
148.92224	0.6
155.01927	3.0
156.51752	0.6
156.96803	0.5
159.05014	1.3
173.02983	4.4
177.06094	4.0
183.05013	2.6
196.16348	0.8
201.06073	42.0
213.06081	26.0
215.07669	2.5
219.07152	13.5
221.05162	2.6
225.06041	5.3
227.07639	1.3
231.07098	14.4
237.06082	1.3
243.07127	20.3
255.07092	0.7
285.08234	2.5
303.09213	100.0
321.10339	29.7
321.14066	1.3
337.07495	0.7
383.09229	2.9
501.13812	1.0
663.19739	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63932	0.5
72.43616	0.6
73.08887	0.5
119.01927	0.6
131.01929	0.9
138.90004	0.6
148.92224	0.6
155.01927	3.0
156.51752	0.6
156.96803	0.5
159.05014	1.3
173.02983	4.4
177.06094	4.0
183.05013	2.6
196.16348	0.8
201.06073	42.0
213.06081	26.0
215.07669	2.5
219.07152	13.5
221.05162	2.6
225.06041	5.3
227.07639	1.3
231.07098	14.4
237.06082	1.3
243.07127	20.3
255.07092	0.7
285.08234	2.5
303.09213	100.0
321.10339	29.7
321.14066	1.3
337.07495	0.7
383.09229	2.9
501.13812	1.0
663.19739	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43843	0.5
70.06582	0.5
74.97997	0.6
76.59182	0.6
98.00465	0.5
117.32499	0.5
121.06532	2.1
136.22595	0.5
137.06007	2.7
152.07085	0.5
155.27209	0.5
174.05557	0.8
176.76286	0.6
272.12677	0.9
272.39703	0.5
276.06732	0.6
278.08154	2.3
291.08847	5.3
306.07571	13.9
307.08374	7.2
318.07544	0.8
319.08405	5.7
320.05615	3.3
320.09213	3.6
321.09906	2.9
322.07117	2.3
322.10846	6.3
325.10739	2.5
331.08289	0.8
332.09265	0.9
334.07092	5.1
334.10809	5.6
335.07837	3.6
336.12189	0.9
343.08569	0.7
348.12369	3.4
349.09521	0.9
350.10181	14.0
359.07751	1.0
362.10397	0.6
365.59891	0.6
374.06354	1.1
374.10446	3.1
375.07004	0.7
390.09604	4.9
392.11407	1.1
420.84702	0.6
438.13290	0.8
440.11188	1.1
451.14633	0.8
452.10574	0.8
454.12830	3.4
455.13919	0.8
456.14243	5.1
466.12946	2.5
468.10867	1.2
470.15997	2.3
482.16751	1.1
484.13641	5.0
498.15546	8.9
500.17188	0.9
508.13821	0.9
526.14880	14.3
663.23358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87803	0.6
59.93123	0.7
62.24468	0.6
69.13670	0.6
70.68439	0.6
76.42322	0.6
81.07065	0.7
81.44194	0.6
82.54310	0.6
270.27399	0.7
272.22571	0.8
290.08041	10.5
302.08182	3.4
304.05905	9.2
318.07587	15.3
319.08365	57.6
320.08917	4.8
321.09915	1.2
322.10709	1.6
334.10712	100.0
335.11047	2.7
336.12518	1.2
350.10690	0.8
496.98657	0.7
535.38855	0.8
663.23358	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	43.9
64.82458	0.5
66.34183	0.5
79.56650	0.5
101.94096	0.5
138.31207	0.6
219.07867	0.8
233.49068	0.6
235.07594	0.6
237.09030	6.4
265.08569	38.3
269.11603	0.8
279.10178	3.0
281.98767	0.6
282.08887	8.6
284.10373	2.0
297.11194	56.0
299.12671	6.8
311.12848	0.9
322.07065	1.0
342.16977	100.0
501.12381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74575	0.7
50.96555	0.7
52.07830	0.7
56.21006	0.8
57.72399	0.8
58.06620	1.7
88.33898	0.8
93.07049	1.4
95.08611	0.8
105.08366	0.8
113.64522	0.8
118.02207	0.7
121.06491	0.9
121.10199	0.9
137.06029	3.1
139.40630	0.9
152.73422	0.8
157.62158	1.0
174.05620	1.0
190.04971	0.9
278.08118	1.4
291.08896	5.2
292.09869	1.2
306.07593	17.2
307.08560	4.8
319.08441	4.9
320.05670	2.7
320.09235	8.4
321.09720	11.4
322.10437	7.0
323.11600	1.0
325.10764	1.9
334.07025	4.3
334.10852	8.4
335.07999	3.3
336.12262	12.2
337.12686	5.7
348.12354	1.9
350.10300	11.7
359.07965	1.2
362.10614	1.2
369.09830	1.3
374.10440	3.2
375.07611	1.2
390.09921	4.5
438.13580	1.4
440.11230	1.4
454.12738	1.4
455.13934	1.0
456.14508	4.9
466.13205	1.8
467.14334	1.0
468.10739	1.1
470.15302	1.1
482.11993	1.4
483.13565	1.3
484.13947	5.5
498.15344	5.9
526.14923	16.4
610.77466	1.0
633.14990	3.0
647.18237	1.4
663.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29061	0.4
160.38750	0.4
208.93074	0.5
220.16438	0.5
236.10806	0.4
236.21161	0.5
276.06491	0.5
290.08084	9.5
302.08008	3.0
304.06039	8.8
306.07654	0.5
307.04718	0.9
307.08218	0.7
318.07654	13.0
319.08398	57.4
320.09174	4.6
321.09610	2.3
322.06998	2.0
322.10498	1.2
334.10733	100.0
335.11185	0.7
336.12280	1.8
337.12799	0.7
349.09067	0.5
350.10266	1.0
392.98734	0.5
522.28021	0.5
526.15082	1.7
663.23389	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03252	0.3
55.47394	0.3
56.21767	0.3
63.24443	0.3
77.31533	0.3
137.24788	0.3
147.49025	0.3
207.06459	0.5
275.97922	0.3
276.06381	0.7
290.08072	9.5
291.08817	0.4
302.08130	3.1
304.06030	9.0
306.07520	0.6
307.04745	0.8
318.07593	12.3
319.08392	57.4
320.09033	4.3
321.09512	1.4
322.07019	3.2
322.10529	0.6
334.10724	100.0
335.11169	1.8
336.11911	0.4
414.68460	0.4
463.54288	0.4
482.75989	0.4
526.14960	1.7
663.23370	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97225	0.4
60.11079	0.3
60.22061	0.4
63.12094	0.3
83.65497	0.4
92.20923	0.5
108.43555	0.5
115.88155	0.4
273.08044	0.4
290.08081	9.4
302.08109	3.2
304.06094	8.9
318.07584	13.8
319.08389	52.7
334.10730	100.0
507.87814	0.5
510.16040	0.5
517.27490	0.5
622.37897	0.5
663.23358	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87803	0.6
59.93123	0.7
62.24468	0.6
69.13670	0.6
70.68439	0.6
76.42322	0.6
81.07065	0.7
81.44194	0.6
82.54310	0.6
270.27399	0.7
272.22571	0.8
290.08041	10.5
302.08182	3.4
304.05905	9.2
318.07587	15.3
319.08365	57.6
320.08917	4.8
321.09915	1.2
322.10709	1.6
334.10712	100.0
335.11047	2.7
336.12518	1.2
350.10690	0.8
496.98657	0.7
535.38855	0.8
663.23358	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69233	0.4
76.86272	0.4
85.02824	0.5
85.27544	0.4
122.55824	0.5
124.36524	0.4
181.08475	0.4
182.53560	0.5
276.06598	0.5
290.08035	10.4
291.08569	0.6
302.08170	3.0
304.05994	9.6
304.09161	0.8
306.07571	2.0
307.04672	7.3
318.07571	11.4
319.08347	54.4
320.09073	6.9
321.09485	4.0
322.07056	14.8
322.10779	0.7
325.10449	0.8
334.10681	100.0
335.10980	2.1
336.12173	2.3
338.13898	0.5
350.10190	1.8
526.14594	3.7
612.69965	0.5
662.75330	0.5
663.23383	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95000	2.2
70.95493	2.7
74.73719	2.7
85.02906	3.8
105.07021	10.7
106.37955	2.7
109.10177	2.6
119.51009	3.0
127.98261	3.1
133.06476	11.7
136.05226	3.2
142.47478	2.8
157.06488	3.9
158.52736	2.9
159.08032	4.0
161.05997	23.1
163.03535	3.1
166.06250	17.9
169.08611	3.1
175.03932	5.4
175.07518	24.5
181.08597	100.0
181.10069	5.9
185.49643	3.3
187.07587	30.7
189.09082	12.6
193.08588	3.9
195.10161	11.3
199.07515	6.0
205.08633	5.3
227.18919	3.5
249.08900	3.3
288.82190	3.1
289.08466	4.1
292.10654	4.1
293.08005	3.0
295.13300	12.6
296.09207	12.2
297.09491	3.1
297.14554	3.8
304.05865	5.3
309.11310	4.4
318.07370	4.0
319.08228	12.5
320.09055	26.6
321.09464	4.7
323.12833	11.5
324.08643	17.6
324.13431	4.9
325.08710	22.4
334.10681	29.8
335.11209	5.3
336.12650	6.8
340.12976	10.8
355.15408	52.7
367.15543	20.4
375.18076	5.5
383.15308	3.9
385.16382	7.1
399.13885	3.2
441.15726	3.3
535.21381	15.6
639.72552	3.4
651.02887	3.2
663.18304	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17229	2.4
70.28743	2.1
77.94685	2.5
105.07039	3.8
117.17091	2.3
129.07004	9.1
133.06537	3.3
154.06259	2.7
159.08026	11.0
159.42868	2.4
161.05980	13.4
166.06273	13.0
175.07487	23.4
181.08598	79.2
187.07535	22.5
189.09074	10.4
190.04959	9.9
195.10214	5.4
199.07545	4.2
205.08572	3.6
265.74881	3.0
265.77737	2.4
281.11526	2.7
290.08139	4.8
295.13263	10.8
304.05933	5.9
309.11169	4.1
314.10956	2.7
318.07605	15.0
319.08359	48.0
320.09045	8.9
321.09885	3.4
323.12735	4.8
324.13483	5.1
334.10690	100.0
335.11740	3.1
336.12939	5.2
355.15451	39.3
357.16928	5.3
367.15225	14.9
375.18109	4.6
385.16406	3.7
514.90076	2.6
535.21869	12.2
603.17468	2.9
663.23370	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59628	2.0
52.84643	2.6
54.20198	2.1
59.88148	2.6
64.74731	2.4
70.39528	3.4
87.99114	2.5
103.78494	2.6
137.05991	2.9
150.10185	3.0
196.03229	2.8
249.10222	17.5
251.11792	15.4
277.09711	15.6
278.95190	3.2
279.11206	13.1
295.10889	4.5
309.12280	13.8
311.13995	11.4
320.09485	8.9
321.09595	13.1
323.10172	15.2
323.13956	9.7
344.13660	4.6
355.12863	6.5
356.13739	6.0
357.14902	3.4
372.13272	4.5
373.17947	6.5
383.16443	4.6
384.13412	4.3
386.14893	17.1
386.19131	4.6
396.13358	6.8
399.15497	12.7
400.12790	15.9
400.17126	9.6
402.14154	4.9
404.16031	6.6
410.14792	3.4
414.14166	20.6
416.16238	5.0
417.16898	11.3
418.17667	11.1
426.14471	5.6
428.15921	17.1
430.14291	3.4
432.15289	6.1
442.17578	5.5
444.15500	11.7
445.16412	11.1
446.17093	18.6
454.14041	18.1
460.18710	6.0
472.14850	16.9
473.15714	17.4
474.16486	30.1
476.17734	22.3
477.19165	4.3
492.17557	5.1
504.17438	6.9
505.18524	60.4
506.18964	31.7
523.19232	6.7
524.20667	4.0
595.21271	5.4
613.22931	36.1
627.24225	3.6
631.23993	4.0
645.15149	5.0
645.25488	100.0
649.77502	3.9
663.27411	35.4
686.61218	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
74.16074	2.6
79.81068	2.7
81.07038	6.6
90.31697	3.4
92.21501	4.8
95.08559	4.5
98.06015	3.2
109.10189	2.9
111.18551	3.2
112.39221	3.5
120.26953	3.4
155.26758	3.2
180.33214	3.5
183.53546	3.2
187.22694	3.1
194.11508	4.8
203.28697	3.4
220.13237	3.4
224.12862	4.3
228.74248	3.1
236.12659	7.7
241.81273	3.6
313.29474	4.8
320.09137	6.3
321.09445	7.4
337.12601	5.6
350.06467	4.1
351.06900	6.6
368.07840	5.2
369.07901	17.3
618.02771	4.0
663.37531	100.0
663.48523	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.8
69.03473	1.0
83.06312	0.8
85.02902	1.7
99.04485	1.2
125.05983	0.8
130.96559	0.7
287.76199	0.9
314.25082	0.9
320.09323	3.3
321.09689	4.4
337.12860	1.6
339.29221	0.9
353.15680	1.0
367.13617	0.9
377.69772	0.9
527.23956	0.9
663.37244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90528	1.4
59.74404	1.9
69.07066	1.6
98.98492	1.8
111.74837	1.7
182.99905	1.6
215.44130	1.5
236.64156	1.7
259.77765	2.0
337.27448	2.7
366.09799	11.7
367.10104	6.8
384.10849	10.0
385.11118	2.4
472.01404	1.8
663.37195	100.0
663.47937	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52866	1.1
53.03482	1.1
58.49500	1.4
58.49821	1.2
65.08664	1.3
75.82755	1.3
81.07074	2.8
97.06532	1.7
320.09100	1.9
337.27493	6.7
408.99506	1.6
577.29749	6.2
633.37079	1.8
663.37170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00538	1.5
92.20965	2.4
109.31498	1.8
121.02347	1.7
135.45387	1.7
148.56093	1.9
160.17545	1.9
180.09976	2.6
196.09412	3.1
210.10997	4.0
220.13199	1.8
238.14243	3.2
278.15341	2.1
325.01923	1.9
337.92130	2.0
476.42636	2.5
663.36053	100.0
663.48553	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83747	2.8
58.15331	2.9
90.34249	2.8
137.40840	3.1
204.15732	3.5
277.26010	4.1
375.01859	4.0
492.12354	3.9
503.24182	3.9
611.90869	4.5
663.38275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52507	3.8
55.05514	12.6
57.03441	26.5
57.07069	5.1
61.02928	37.7
64.92008	4.2
67.05508	38.9
69.03422	21.4
69.07063	29.1
73.02926	7.6
79.05500	11.5
81.03416	22.4
81.07071	55.7
83.08624	30.7
85.02907	82.7
91.03960	29.7
93.07055	20.9
95.08618	44.1
97.02895	53.2
97.10155	7.7
98.98458	33.5
99.04452	5.5
100.28708	5.7
101.55083	5.2
107.08591	12.7
109.02877	10.4
109.10160	26.7
111.11840	5.6
121.10153	12.9
127.03940	21.1
129.71205	5.0
135.01836	4.9
135.11685	11.2
145.04927	7.2
155.01024	24.8
159.30563	6.0
183.06549	5.8
321.09909	6.4
322.10599	8.2
323.11118	6.9
323.94183	5.5
336.12286	32.5
337.12869	52.1
337.27328	74.0
338.13330	21.9
339.28891	60.7
352.15396	40.6
353.15726	62.5
465.32278	6.6
483.33026	30.4
501.34534	6.3
663.37317	100.0
688.91882	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12444	2.6
82.83669	2.9
99.64025	3.0
145.77945	2.7
191.88193	3.0
293.20813	17.2
383.14194	4.0
439.20316	11.5
456.80521	3.1
495.26828	3.2
663.48065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63418	0.9
63.97703	0.8
69.73657	1.0
75.91170	0.9
86.20349	1.0
92.21480	0.9
95.85555	1.0
149.10635	1.1
293.20944	2.0
336.12494	1.1
393.26065	21.9
459.42282	1.2
663.48077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93278	0.5
71.28817	0.6
84.40973	0.6
84.52832	0.5
96.98448	0.6
106.41893	0.6
138.71381	0.6
167.07025	4.8
254.64851	0.6
290.08121	10.1
302.08118	4.5
304.06042	12.2
306.07892	0.7
318.07574	14.5
319.08383	57.6
320.09122	3.0
321.09244	0.8
334.10724	100.0
336.12137	3.5
352.15219	0.8
442.84381	0.7
502.14795	0.9
532.46967	0.8
664.14301	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12619	0.2
53.14630	0.2
58.06611	0.4
82.44029	0.3
85.02924	0.3
91.10465	0.3
102.68413	0.3
119.73830	0.3
190.05074	0.4
266.97159	0.3
278.08078	0.4
290.08014	1.2
294.07568	15.2
302.08087	0.5
304.06079	1.3
306.07565	0.6
307.08313	0.7
318.07617	1.3
319.08292	5.0
320.09134	4.5
321.09946	0.5
322.07086	100.0
323.07596	0.6
324.08493	0.6
334.06799	0.6
334.10742	10.2
335.11212	0.4
336.12262	4.0
338.14093	0.4
350.10361	0.6
380.34460	0.3
452.10730	0.4
462.62704	0.3
472.14072	2.3
484.13751	2.7
502.14929	1.3
527.15222	1.3
640.40619	0.4
640.92841	0.3
664.22736	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
57.72878	0.3
69.03412	1.1
85.02848	1.7
87.48003	0.4
97.02858	0.5
97.04136	0.3
123.74009	0.4
127.03898	1.3
159.43820	0.3
185.30135	0.4
248.07217	0.4
256.80389	0.4
279.08853	0.9
294.11148	1.7
295.08389	7.6
301.46786	0.4
307.08405	15.8
307.11972	0.5
309.09912	5.9
310.10718	100.0
322.10721	94.5
340.11874	0.5
484.16083	6.5
502.16949	6.2
556.79675	0.5
590.15497	0.5
635.28711	0.5
664.22357	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68607	0.4
54.63750	0.4
64.98970	0.5
77.72828	0.5
89.82207	0.5
278.08035	2.1
290.08072	9.5
291.08844	0.7
302.07965	3.7
304.05978	6.9
306.07693	2.5
307.08020	0.9
318.07535	11.3
319.08371	54.1
320.09143	6.6
321.09686	2.8
322.07007	3.4
322.10629	2.0
334.10709	100.0
335.11258	2.6
336.12219	12.6
350.09717	0.9
527.15582	2.4
605.82904	0.6
664.23212	42.8
664.33881	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68607	0.4
54.63750	0.4
64.98970	0.5
77.72828	0.5
89.82207	0.5
278.08035	2.1
290.08072	9.5
291.08844	0.7
302.07965	3.7
304.05978	6.9
306.07693	2.5
307.08020	0.9
318.07535	11.3
319.08371	54.1
320.09143	6.6
321.09686	2.8
322.07007	3.4
322.10629	2.0
334.10709	100.0
335.11258	2.6
336.12219	12.6
350.09717	0.9
527.15582	2.4
605.82904	0.6
664.23212	42.8
664.33881	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16767	0.3
51.63179	0.3
57.27234	0.3
61.28395	0.3
63.91889	0.3
73.43440	0.4
80.63938	0.4
92.20983	0.6
133.70964	0.4
146.68163	0.4
205.71339	0.4
214.45509	0.4
257.69632	0.4
278.08109	1.7
278.14944	0.4
279.08862	1.8
294.11227	66.5
306.07513	0.7
307.08218	0.5
319.08258	2.0
320.09100	0.9
320.12772	1.5
322.10724	100.0
323.11581	2.3
324.12247	1.9
334.10785	3.9
336.12195	1.4
441.16089	0.6
456.18106	0.6
484.17444	2.1
664.23871	67.9
681.18427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18420	0.4
58.82496	0.4
83.56432	0.4
86.73925	0.5
106.43558	0.4
141.25677	0.5
145.99467	0.4
153.64194	0.4
181.11028	0.5
250.08504	3.3
278.08105	3.9
279.08881	10.9
290.08044	0.9
294.11218	99.1
304.05975	1.1
307.08524	1.1
308.09000	0.6
309.09839	0.6
318.07602	0.8
319.08377	4.8
322.10669	9.3
323.11502	2.3
334.10629	11.3
335.11142	0.6
336.11893	2.1
440.15100	2.3
454.12790	4.0
458.15942	0.9
468.14313	3.0
469.15176	1.9
470.15912	0.9
472.13687	3.4
484.17526	0.8
486.15585	3.1
487.16534	1.0
502.18826	4.4
620.21320	4.9
632.21356	1.7
634.19147	3.9
648.20660	7.3
649.21484	4.2
664.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11306	0.3
50.80644	0.3
55.66422	0.3
75.52961	0.3
75.61868	0.3
120.88939	0.3
136.35960	0.3
147.68903	0.3
151.75468	0.3
250.08571	3.2
265.07013	0.3
274.37726	0.4
278.08081	4.7
279.08908	12.1
294.11224	100.0
306.07742	0.4
307.08325	1.4
308.09018	0.4
319.08359	0.5
320.09253	1.3
322.10709	7.1
323.11444	2.3
324.12234	0.5
334.10715	2.1
435.01776	0.4
440.15253	2.4
452.14441	0.5
454.12833	4.1
458.16281	0.7
468.14481	2.9
469.15259	1.8
470.15930	0.8
472.13885	3.3
484.17752	1.8
486.15555	2.8
487.16205	2.1
490.52338	0.4
502.18591	5.3
620.21222	5.4
632.21497	1.8
634.19318	4.5
648.20795	6.7
649.21600	3.9
664.23853	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76935	0.4
60.99877	0.4
63.28903	0.5
76.88595	0.4
92.20915	0.5
98.30568	0.5
197.68863	0.5
200.59952	0.5
203.20396	0.4
209.36517	0.6
247.73706	0.5
250.08719	0.5
250.18407	0.5
278.07993	3.5
279.08835	3.6
294.11240	88.2
306.07706	0.8
307.08350	2.1
320.09003	0.8
322.10736	100.0
323.11658	1.2
324.12427	1.1
334.10590	1.1
336.12143	1.1
337.13126	1.0
352.15472	5.1
440.14868	1.1
456.18216	0.8
468.15161	0.6
472.14017	0.6
484.17612	2.7
501.98056	0.6
502.18765	1.1
515.20813	0.5
548.49188	0.5
620.21307	0.9
634.18982	0.8
648.20782	1.1
649.21460	0.9
664.23907	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94543	0.5
58.06593	0.4
62.16050	0.5
69.45380	0.5
72.06004	0.4
84.10591	0.4
85.02884	0.6
140.47348	0.5
166.17180	0.5
176.06987	0.7
250.29434	0.5
264.60068	0.5
278.08157	2.8
279.08896	2.1
290.08133	0.6
292.09747	0.5
294.11230	64.7
306.07608	0.9
307.08377	1.1
318.07538	0.6
319.08307	3.0
320.09113	2.6
320.12802	1.7
321.09818	1.0
322.10730	100.0
323.11319	3.5
324.12216	2.0
334.10632	5.7
336.12213	3.4
338.13733	2.1
440.15146	0.7
451.92499	0.5
456.18259	1.8
484.17661	2.4
646.26202	0.8
664.23907	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57450	0.4
62.24466	0.4
72.13463	0.4
94.88637	0.5
108.87319	0.5
143.39034	0.5
145.87808	0.5
162.11076	0.6
236.48250	0.4
250.08479	3.3
259.86710	0.5
278.08023	3.2
279.08865	11.3
279.11838	0.6
294.11224	100.0
307.08533	1.0
309.09833	0.6
320.09259	0.6
321.09409	0.5
322.10626	8.3
323.11475	2.8
333.09238	0.5
334.10785	2.2
402.71088	0.6
440.14569	0.8
454.12482	3.4
458.15991	0.9
468.14313	3.1
469.15387	0.9
472.13971	3.1
484.17535	1.9
486.15677	2.8
487.16156	1.1
502.18512	4.4
620.21368	5.4
632.22052	0.7
634.19220	3.9
648.20978	7.8
649.21283	4.6
664.23859	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34671	1.3
50.55052	1.5
57.90942	1.3
66.75802	1.6
70.21957	1.6
92.20871	1.8
93.03421	2.8
95.04978	1.8
103.05476	10.0
105.07018	2.0
106.04184	6.9
107.04959	3.5
121.06487	7.9
125.06004	2.0
131.04909	15.2
133.06494	6.8
148.05205	3.8
149.05977	15.4
153.09058	2.3
161.06004	7.2
163.07530	18.3
167.07050	12.2
173.05945	3.0
177.05502	14.6
181.04942	47.6
181.08559	6.6
187.07539	2.6
191.07011	100.0
193.08598	7.2
200.16235	1.7
203.44569	1.6
205.08629	4.0
209.08060	27.5
217.08629	3.5
247.09567	2.2
249.11118	1.9
265.10739	2.1
303.44199	1.7
320.09195	29.5
322.11102	1.7
330.11044	2.9
331.90137	1.7
334.10437	2.6
352.12244	1.9
359.14542	2.3
383.14774	9.9
387.14224	2.4
401.15930	8.3
419.11862	1.8
419.17053	32.2
427.17447	9.5
664.23077	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44922	0.4
62.00282	0.5
66.17536	0.5
69.03381	0.5
138.57144	0.7
174.21709	0.5
184.71939	0.6
278.08142	0.9
290.08038	1.2
292.09558	6.5
304.06302	1.0
306.07715	1.8
318.07352	1.1
319.08356	6.0
320.09155	19.2
321.09970	20.6
322.10718	4.3
334.10724	14.4
335.11078	0.7
336.12280	100.0
338.13684	3.2
630.84204	0.6
664.35352	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3838
Annotation	Gypsin A
Peak:m/z	Relative Intensity
52.96296	0.3
81.45586	0.4
108.14271	0.5
118.13495	0.4
127.17002	0.4
189.31442	0.4
308.09433	0.7
308.12808	11.3
309.09888	0.9
320.09146	0.6
320.12711	2.7
321.09872	0.5
322.10660	5.5
324.12384	1.9
334.10617	0.6
336.08582	0.8
336.12250	18.8
336.15872	0.7
337.13049	36.6
338.10196	0.9
338.13797	0.5
338.27869	0.7
339.10995	0.7
352.11713	9.3
352.15430	100.0
354.13141	5.4
627.42975	0.4
664.38501	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47812	3.5
53.03951	14.8
55.05518	7.3
55.34719	3.0
57.82820	3.4
64.46666	3.2
67.05508	22.8
73.02909	18.7
78.01562	3.6
79.05507	18.5
81.03414	16.1
81.07055	26.5
85.02930	14.0
87.80583	3.5
91.05483	18.0
93.07031	16.7
93.41121	3.5
95.04961	5.0
95.08609	18.4
97.02881	6.4
97.06531	6.4
99.04458	100.0
105.07063	8.0
106.16646	4.3
107.08591	8.6
109.06511	5.1
111.04476	4.2
117.07018	22.9
119.08591	18.9
121.06503	5.7
121.10111	5.3
127.03880	4.7
129.06982	8.5
131.08571	16.1
133.10133	5.9
143.08473	6.7
145.10092	19.3
157.10081	6.4
159.11763	8.4
167.08545	4.2
169.10068	8.2
171.11658	17.0
173.13148	4.6
195.11789	4.7
238.20615	4.2
243.08682	9.0
285.22064	4.7
437.63541	5.4
527.30463	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39890	0.3
69.58584	0.2
70.06566	0.3
80.00506	0.3
82.68388	0.3
88.62312	0.3
119.39241	0.3
147.04585	0.3
177.05452	0.3
178.06133	0.3
178.08598	0.3
193.04877	0.5
193.06644	0.3
273.17932	0.3
311.10416	0.4
323.10269	1.6
390.13428	0.4
409.11853	3.4
412.10526	0.4
413.11292	0.6
425.11234	4.4
426.12134	0.6
427.12988	5.8
428.10141	1.0
442.11441	0.6
443.12366	17.3
485.13602	0.5
488.12189	1.2
503.14441	100.0
515.10291	0.4
665.19586	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99946	0.5
59.12638	0.8
59.33831	0.5
63.91907	0.6
73.66860	0.7
108.39262	0.7
121.06548	5.2
123.81958	0.7
142.98123	0.8
146.78838	0.7
152.07068	1.3
203.13551	0.7
216.82800	0.7
260.32574	0.7
272.12939	1.5
318.07739	0.9
319.08618	1.5
320.09204	3.3
321.09763	1.2
322.10577	1.4
334.10889	1.5
336.12439	4.3
337.12912	1.0
390.45450	0.9
442.12820	0.8
444.14316	1.4
454.12961	3.6
457.11896	1.1
458.16113	0.9
464.50284	0.7
468.14597	3.2
469.15350	3.0
470.12198	4.9
472.13901	58.8
480.10907	1.6
484.13950	1.0
486.15295	2.9
487.16238	16.7
494.12576	1.0
495.13382	3.2
498.11823	38.6
502.18900	3.2
512.13367	1.1
513.14008	17.4
584.82355	0.7
665.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.25
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39871	0.5
69.34325	0.6
102.37861	0.6
106.26617	0.5
110.62382	0.6
137.06010	0.6
167.64232	0.5
270.88629	0.6
302.08105	1.2
303.09009	2.3
319.08392	3.9
320.09036	5.6
321.09726	3.0
322.10712	1.0
330.11298	0.8
334.10880	6.7
335.11063	4.5
336.12320	2.6
338.13727	0.7
348.08682	0.8
348.12576	2.4
428.15073	1.0
434.13962	3.2
442.16461	4.1
452.14941	17.8
452.20749	0.9
453.16068	0.9
454.13052	3.0
455.14029	2.5
456.14450	10.4
468.14331	4.1
469.15445	1.0
470.15958	32.1
471.16519	7.4
478.12866	0.7
482.12247	9.2
484.17435	2.4
486.19226	11.4
496.14172	5.1
497.14642	4.6
498.15613	0.8
512.17114	6.6
527.18634	1.0
631.20728	1.2
635.20276	4.4
649.21429	5.1
650.22961	0.9
665.25012	100.0
667.95715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83261	2.0
67.05473	2.3
99.04500	3.9
114.09000	2.6
138.59166	2.6
140.07162	3.1
145.53636	2.3
164.10703	3.5
167.07014	4.2
177.05472	3.4
179.71313	2.2
184.04741	2.9
191.07021	3.0
192.10173	11.7
210.50798	2.5
243.11317	3.0
243.82555	2.7
246.77075	2.5
249.10176	3.0
251.11714	3.3
259.10620	4.2
263.11874	3.3
277.09531	3.3
279.10971	3.9
283.10666	4.1
285.07565	86.0
285.12360	4.9
296.11615	10.3
297.12332	5.7
307.11191	2.7
309.12299	17.5
310.13126	4.8
323.10251	9.9
323.13876	17.1
324.14560	11.3
334.10825	3.9
335.10324	16.2
336.11533	14.6
337.11975	15.8
356.13705	11.4
360.13455	5.7
367.12518	3.3
368.13702	5.3
369.14438	29.2
374.15350	2.9
391.15298	3.5
392.16003	4.8
404.15900	4.7
405.17691	2.9
414.14551	12.1
420.15802	4.3
432.15323	13.0
446.17154	10.2
447.12708	12.3
448.16797	3.8
456.15640	3.5
464.17950	15.3
465.18982	5.9
489.18777	5.7
503.10492	3.2
508.20782	5.0
510.22345	9.5
524.20032	5.7
525.21008	12.1
573.23419	2.8
597.23083	4.5
605.25922	15.4
615.24377	11.1
616.22614	3.6
629.26025	24.8
633.25348	12.3
647.26758	18.2
648.25189	13.5
665.18365	9.5
665.28107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65332	1.4
52.29901	1.3
52.88434	1.4
53.03945	1.9
69.07082	1.6
81.03429	1.9
81.07034	1.8
85.02907	7.9
93.07028	2.1
99.04455	46.3
109.10145	8.4
117.05479	2.4
127.11242	1.9
131.04955	2.0
153.12746	2.7
183.08192	2.1
185.09622	10.8
187.07533	40.1
201.09122	22.5
220.12889	1.8
229.08589	26.1
241.12137	2.5
243.13878	1.8
247.09633	100.0
255.13919	2.0
307.68393	1.7
319.08286	3.7
320.09030	12.0
321.09543	3.6
322.10800	3.0
323.20032	6.7
334.10754	8.4
337.12662	2.9
341.21146	3.7
351.19711	3.0
369.20764	28.5
387.21643	35.4
412.55212	1.9
433.86569	1.8
564.94843	2.0
585.10510	1.6
629.31146	3.2
647.32434	10.8
665.17920	1.9
665.34094	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74372	1.1
61.41153	1.2
66.66369	1.5
66.86617	1.3
69.68002	1.4
78.47984	1.3
91.14343	1.1
97.18163	1.7
100.39388	1.3
100.74339	1.3
102.06192	1.3
102.27352	1.1
137.05968	2.5
162.77379	1.3
183.56027	1.7
204.39116	1.4
459.22141	3.3
460.22607	8.9
461.23401	11.8
473.23434	3.0
480.64365	1.7
487.25278	1.7
505.22577	6.5
533.25446	61.5
593.27570	32.7
605.31281	23.9
612.42810	2.2
665.33374	100.0
665.46973	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92794	1.9
70.00542	2.2
73.49303	1.8
116.42695	2.2
120.79539	2.7
134.21315	2.3
140.85028	2.1
165.03146	2.3
406.45746	2.5
665.36615	100.0
665.46356	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22155	0.6
67.60966	0.7
68.34146	0.7
69.42165	0.6
77.48515	0.8
85.12548	0.7
99.04466	0.8
117.97845	0.7
275.13312	0.8
336.64145	0.8
352.08173	0.8
665.38702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30098	1.3
55.05494	1.4
58.06598	3.4
70.50582	1.4
71.04992	2.4
81.07055	2.6
85.06526	6.7
86.22968	1.6
93.07049	6.9
95.08595	3.6
105.07035	2.8
107.08572	11.8
108.17493	1.6
109.06524	2.6
109.10168	3.0
111.55972	1.7
119.08590	2.3
121.10136	3.0
123.08018	2.0
131.08592	2.6
133.10138	8.2
143.08493	2.4
145.10153	17.8
145.17897	1.6
147.11705	7.2
157.10097	7.9
159.11682	15.0
161.13144	1.6
163.11224	2.8
169.10182	1.8
171.11693	2.7
173.13258	7.3
183.11693	3.1
185.13284	2.5
189.12726	2.1
190.65184	1.8
197.13245	5.6
199.14757	3.7
203.14381	3.2
209.13205	2.2
210.90399	1.6
211.14861	2.4
213.16351	9.9
215.14458	2.4
217.56259	1.5
223.14850	7.5
227.17854	3.0
237.16350	2.7
239.17966	3.2
241.15836	1.9
253.19432	11.4
255.17426	2.5
255.21129	3.3
279.21082	16.0
287.42023	1.9
297.18787	2.2
297.22144	69.2
315.19528	3.4
315.23196	100.0
320.09097	2.8
321.10025	12.3
322.10400	9.8
333.19061	2.9
333.24100	11.0
334.10925	2.9
336.12286	32.3
337.12631	26.8
338.13806	2.6
379.13730	2.8
476.58868	2.0
665.35541	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35979	0.4
58.56136	0.5
59.90498	0.4
60.14659	0.4
60.74337	0.5
61.85879	0.5
67.87673	0.5
102.42004	0.6
137.02347	16.5
137.03398	1.0
185.98463	0.5
186.90471	0.5
230.06998	0.6
238.11937	0.7
319.08313	0.8
320.09152	8.8
321.09799	1.9
334.10837	3.0
336.12274	11.0
338.13876	0.6
407.31119	0.6
426.10062	0.6
438.09714	1.3
440.11429	2.5
454.08774	4.5
455.09930	3.3
456.10898	2.1
466.09552	3.5
467.10254	2.9
468.07553	2.3
469.11935	1.2
470.12662	0.8
471.13092	1.0
472.14169	2.0
482.08273	2.3
482.13147	1.0
483.09338	9.7
484.09970	5.0
485.10883	0.7
498.11798	83.0
499.12564	16.7
500.13675	2.4
530.14478	1.2
592.12433	0.9
607.14392	3.5
620.12158	0.8
635.14343	8.1
636.15350	2.6
638.16669	0.6
666.15973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.06627	0.7
69.03430	3.7
78.85961	1.0
85.02914	12.9
87.04453	1.6
97.02886	3.7
127.03925	1.5
131.47144	0.8
135.04419	7.3
137.05956	1.8
149.05975	8.2
160.53493	1.1
163.03905	1.1
164.07068	8.3
177.07820	0.9
178.08586	4.9
188.07074	39.4
189.07841	20.8
190.08621	8.3
192.10184	1.7
206.08156	16.5
206.11703	8.5
223.07462	1.4
247.07463	1.7
255.06331	1.3
275.06906	7.2
283.09619	2.1
291.08801	1.1
293.08017	2.1
294.11124	1.1
307.08408	1.1
308.09222	3.8
311.09146	1.1
324.12314	18.5
334.10489	1.3
342.13348	100.0
342.16895	6.6
374.39313	1.0
412.11835	5.0
428.11270	25.4
429.12186	1.2
458.12320	67.8
504.12827	65.8
620.17517	1.3
666.23724	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55688	0.3
52.62786	0.3
54.52898	0.2
61.02869	0.8
69.03355	3.0
73.02844	0.6
81.03357	1.4
85.02823	7.0
87.04375	0.8
88.07584	0.4
91.03915	0.4
97.02888	3.3
99.04374	0.7
107.70073	0.3
109.02802	0.7
127.03938	3.0
135.04440	4.8
135.37767	0.4
137.05905	2.0
137.54155	0.4
141.15483	0.4
145.04884	0.8
147.04298	0.5
149.05992	7.4
153.05406	0.6
163.03856	2.9
164.07033	3.0
175.03783	1.7
175.06259	0.6
176.06947	0.6
178.08650	3.7
188.07065	32.2
189.07835	18.0
190.08601	7.2
195.08017	0.9
206.08125	14.6
207.06520	3.7
223.07510	0.5
241.08545	1.4
245.06003	0.5
247.07460	2.3
253.08600	0.8
255.06439	0.4
263.06815	0.5
271.09653	0.7
275.07037	5.7
281.08231	0.7
283.09619	1.6
293.08102	3.4
294.11188	0.8
295.09323	0.5
299.09134	0.5
309.09979	0.6
311.09137	2.3
324.09048	0.3
324.12280	12.1
342.13345	90.0
428.11139	1.3
444.12680	0.6
458.12442	3.8
499.35757	0.4
503.14554	0.4
504.12787	5.5
666.24103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04325	0.4
53.34331	0.5
53.81734	0.6
57.03422	0.5
58.06598	0.5
69.03435	2.4
70.06613	0.9
80.89729	0.5
81.03430	0.6
85.02914	8.2
97.02914	3.1
99.04433	0.6
101.02386	0.5
109.02881	1.1
119.05038	0.6
127.03926	3.3
130.51768	0.6
135.04420	5.3
137.05949	0.7
149.05968	7.8
163.03891	2.2
174.83865	0.5
176.07092	1.1
178.08572	3.8
188.07060	29.9
189.07841	16.8
189.09402	0.9
190.08650	6.7
192.10094	0.7
206.08116	12.2
206.11815	1.2
210.44284	0.6
213.09238	0.8
213.48489	0.6
223.07527	0.7
241.08803	0.8
247.07620	1.3
275.07004	4.8
281.08127	0.6
283.09729	2.3
293.08124	3.4
302.57254	0.7
305.70889	0.6
308.09219	1.0
311.09149	3.0
324.12302	11.0
342.13351	83.2
399.59775	0.8
666.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04325	0.4
53.34331	0.5
53.81734	0.6
57.03422	0.5
58.06598	0.5
69.03435	2.4
70.06613	0.9
80.89729	0.5
81.03430	0.6
85.02914	8.2
97.02914	3.1
99.04433	0.6
101.02386	0.5
109.02881	1.1
119.05038	0.6
127.03926	3.3
130.51768	0.6
135.04420	5.3
137.05949	0.7
149.05968	7.8
163.03891	2.2
174.83865	0.5
176.07092	1.1
178.08572	3.8
188.07060	29.9
189.07841	16.8
189.09402	0.9
190.08650	6.7
192.10094	0.7
206.08116	12.2
206.11815	1.2
210.44284	0.6
213.09238	0.8
213.48489	0.6
223.07527	0.7
241.08803	0.8
247.07620	1.3
275.07004	4.8
281.08127	0.6
283.09729	2.3
293.08124	3.4
302.57254	0.7
305.70889	0.6
308.09219	1.0
311.09149	3.0
324.12302	11.0
342.13351	83.2
399.59775	0.8
666.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86194	0.4
58.06575	0.6
63.23430	0.4
69.03397	0.8
71.32462	0.4
84.13686	0.4
85.02918	3.3
87.04429	0.5
90.04984	0.4
97.02851	1.7
109.02875	0.6
114.68616	0.3
127.03873	0.8
135.04408	6.3
137.05934	2.4
149.05974	5.4
153.05449	0.8
163.03876	1.5
164.06888	0.7
178.08572	2.7
188.07068	41.2
189.07848	11.5
190.08632	5.9
192.10162	1.0
195.08002	0.6
204.06442	0.8
206.08138	13.6
213.09035	0.5
247.07475	0.9
255.06445	0.6
263.07019	0.6
269.36276	0.4
271.09692	0.7
275.07034	5.6
281.08090	0.7
283.09595	1.8
293.08066	5.4
294.10962	0.4
309.10013	0.5
311.09134	3.2
324.12305	21.8
341.12598	0.5
342.13358	82.4
350.71729	0.5
486.17676	2.0
504.18631	21.6
666.23914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63739	0.4
54.20053	0.4
58.06603	0.7
65.91514	0.4
67.60609	0.4
69.03432	2.0
70.06593	2.6
73.69270	0.5
85.02909	2.5
97.02889	0.7
117.65931	0.4
120.08074	0.8
126.71364	0.5
127.03975	0.7
135.04420	4.9
137.05992	2.0
138.92990	0.5
149.05984	4.1
153.05487	0.7
163.03940	0.9
176.07156	0.7
178.08643	3.3
188.07063	39.9
189.07834	12.6
189.09381	0.6
190.08652	4.7
194.08284	0.6
195.49724	0.5
202.08734	0.4
204.06651	0.6
206.08105	13.6
213.09151	0.6
223.07614	0.6
241.08665	0.7
247.07698	0.6
253.08586	0.9
263.07047	0.8
271.09882	0.9
275.06921	5.2
281.07962	0.7
283.09729	1.0
293.07986	3.9
294.11282	0.6
295.09879	0.6
299.09174	0.6
308.09518	0.6
308.33450	0.5
311.09134	3.6
313.10605	3.9
324.08740	0.7
324.12265	16.9
342.13345	80.3
459.01825	0.5
479.65503	0.5
486.17853	0.9
504.18701	21.3
558.71295	0.8
603.19171	0.5
666.23969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.7
60.23591	0.6
61.55547	0.7
69.03439	1.7
70.14358	0.6
71.13111	0.7
71.14246	0.7
85.02898	14.0
85.34666	0.7
97.02913	3.5
99.04482	0.9
109.61465	0.7
127.03983	3.7
135.04417	7.1
137.06023	1.6
145.05000	1.1
149.05995	7.1
163.03984	1.3
164.07088	2.9
176.07127	1.2
177.07976	0.9
178.08714	3.2
180.10234	0.8
188.07054	36.2
189.07845	19.1
189.09360	0.9
190.08640	7.9
192.10152	1.1
206.08125	17.0
206.11873	0.9
213.09006	1.1
223.07875	1.0
235.07527	0.7
241.08801	1.1
247.07677	1.5
255.06712	0.9
275.07016	7.2
281.08115	1.4
283.09772	1.5
293.08298	3.7
294.11481	1.0
307.08652	0.8
308.09250	1.8
311.09326	2.9
322.10861	1.1
324.12259	13.7
342.13358	92.6
366.60962	0.8
428.11523	2.9
458.12054	7.1
504.12772	7.6
529.56335	0.8
590.19672	1.1
641.58398	0.9
666.24182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04325	0.4
53.34331	0.5
53.81734	0.6
57.03422	0.5
58.06598	0.5
69.03435	2.4
70.06613	0.9
80.89729	0.5
81.03430	0.6
85.02914	8.2
97.02914	3.1
99.04433	0.6
101.02386	0.5
109.02881	1.1
119.05038	0.6
127.03926	3.3
130.51768	0.6
135.04420	5.3
137.05949	0.7
149.05968	7.8
163.03891	2.2
174.83865	0.5
176.07092	1.1
178.08572	3.8
188.07060	29.9
189.07841	16.8
189.09402	0.9
190.08650	6.7
192.10094	0.7
206.08116	12.2
206.11815	1.2
210.44284	0.6
213.09238	0.8
213.48489	0.6
223.07527	0.7
241.08803	0.8
247.07620	1.3
275.07004	4.8
281.08127	0.6
283.09729	2.3
293.08124	3.4
302.57254	0.7
305.70889	0.6
308.09219	1.0
311.09149	3.0
324.12302	11.0
342.13351	83.2
399.59775	0.8
666.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65517	0.3
58.06599	0.5
66.07418	0.5
66.49519	0.4
69.03439	0.7
71.86536	0.4
85.02911	2.5
96.30652	0.4
97.02905	0.9
113.21001	0.4
123.04402	0.6
127.03892	1.7
132.08073	0.4
134.33199	0.4
135.04428	5.9
137.06047	2.3
145.05011	0.6
149.05983	4.2
153.05467	0.8
163.03888	1.0
165.05603	0.5
176.07152	1.0
177.07970	0.7
178.08615	3.1
188.07063	38.2
189.07843	10.9
189.09427	0.6
190.08600	6.8
192.10226	0.7
206.08110	11.5
213.09076	0.5
247.07582	2.0
253.08763	0.7
263.07037	0.7
271.09818	0.5
275.06921	5.9
281.08188	0.5
283.09634	0.9
293.08115	5.2
309.10287	0.6
311.09210	3.5
324.12292	20.7
342.13354	78.1
392.15561	0.4
428.41177	0.5
486.17590	1.6
504.18604	23.0
562.98224	0.5
634.76923	0.5
666.23889	100.0
675.00555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52875	0.4
58.06504	0.7
58.06749	0.5
58.42607	0.4
64.87656	0.4
69.03304	1.3
69.03661	0.8
72.27522	0.4
81.03306	0.7
85.02729	5.4
97.02712	3.3
99.04320	0.7
109.02724	0.8
127.03716	1.8
135.04401	6.0
137.05867	1.4
145.04752	0.5
149.05965	9.2
153.05368	0.7
159.22650	0.4
161.05859	0.5
163.03699	2.6
164.07045	7.6
175.06209	0.4
177.07657	0.8
178.08635	3.7
180.09952	0.5
188.07059	32.9
189.07849	17.6
189.09473	0.8
190.08588	7.1
192.10002	2.7
195.07872	0.6
206.08119	14.5
227.06427	0.5
235.07408	0.8
241.08379	0.8
247.07433	2.5
253.08522	1.0
255.06427	0.6
263.06891	0.5
265.08505	0.8
275.06964	4.8
281.08124	1.0
283.09662	2.0
293.08069	3.8
299.09116	0.5
309.10016	0.6
311.09219	2.9
322.10538	0.6
324.08801	0.8
324.12323	13.4
342.13336	90.9
428.11346	7.0
429.12430	0.6
458.12360	13.5
504.12738	16.4
504.18713	2.1
648.24896	0.5
666.24561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97790	0.4
54.03049	0.4
57.08869	0.4
58.06602	0.4
64.54755	0.4
67.15795	0.4
69.03415	0.6
84.23651	0.4
85.02904	3.8
87.04525	0.5
91.13760	0.4
96.05061	0.4
97.02872	0.9
100.39352	0.5
123.04432	0.4
127.03907	0.7
135.04407	5.0
137.05984	3.0
149.05939	5.3
153.05531	0.5
156.59660	0.5
163.03902	0.5
176.07095	2.2
177.07901	0.8
178.08665	3.5
188.07066	40.0
189.07831	10.4
190.08600	4.9
192.10271	1.7
195.08118	0.8
204.06516	0.7
206.08121	13.9
241.08656	0.8
247.07701	2.4
253.08626	0.6
255.06450	0.5
263.06955	0.8
265.08459	0.6
271.09805	0.5
275.07001	6.3
281.08179	0.7
283.09631	0.9
285.73651	0.5
293.08136	6.0
294.11237	0.6
295.09677	0.5
299.09256	0.7
311.09229	2.7
322.10550	0.5
324.12305	17.8
342.13354	78.5
486.17780	2.2
504.18579	17.7
666.23932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.5
69.03431	0.9
70.57886	0.4
72.10532	0.4
80.76532	0.4
85.02898	2.9
87.04434	0.5
97.02899	0.9
100.21597	0.5
105.93340	0.4
123.04460	0.7
127.03956	0.8
135.04401	5.8
137.06001	2.3
149.05951	4.7
153.05504	0.6
163.03905	2.0
176.07071	0.9
178.08665	2.7
188.07048	37.2
189.07823	10.6
190.08636	5.4
192.10225	0.6
206.08118	13.6
218.84813	0.6
247.07520	1.0
253.08426	0.8
263.06931	1.5
271.09631	0.5
275.07022	4.4
281.08096	1.6
283.09677	0.6
293.08047	5.0
294.14621	0.5
308.09302	0.6
309.10031	0.9
311.09088	3.4
324.12271	19.1
342.13336	78.0
358.82544	0.5
419.53369	0.5
421.83749	0.4
486.17313	0.7
504.18567	21.1
666.23889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10941	0.5
58.06602	0.7
59.39206	0.4
61.80823	0.4
69.03435	0.9
85.02891	4.2
87.04464	0.5
97.02877	0.9
123.04346	0.5
127.03895	0.8
135.04439	6.1
137.06023	2.2
148.00517	0.5
149.06015	4.2
153.05438	0.6
163.03947	1.1
176.07169	0.5
177.07840	0.5
178.08681	2.4
188.07062	41.5
189.07851	10.2
190.08629	4.3
192.10262	0.6
195.08179	0.9
206.08134	12.9
223.07582	0.6
223.41994	0.4
241.08766	1.7
247.07597	2.6
271.09491	0.6
275.06934	5.9
281.08200	1.0
283.09711	0.9
284.98972	0.5
293.08087	6.0
295.09573	0.6
309.10193	0.5
311.09143	3.1
312.12326	0.6
324.12299	21.4
342.13342	80.3
378.80286	0.5
486.17612	1.9
504.18588	22.2
544.55127	0.5
666.23914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51081	0.7
57.19318	0.7
60.24512	0.8
69.03415	1.7
79.64713	0.8
84.85954	0.9
85.02905	6.0
97.02904	3.8
108.05855	0.9
127.03886	2.0
127.71751	1.0
130.03542	0.8
135.04407	7.2
137.05962	1.3
149.05977	5.2
163.03851	1.7
164.07057	16.4
178.08607	3.8
180.10268	1.2
188.07056	37.4
189.07813	18.3
189.09135	1.0
189.55658	1.0
190.08578	6.5
192.10109	2.1
206.08134	16.0
206.11760	11.1
206.21764	0.9
228.55829	0.9
241.08833	1.0
247.07491	1.3
275.06982	4.1
279.34589	0.8
281.08151	0.9
293.08060	5.0
307.08499	1.0
308.08981	3.8
311.08905	1.0
312.11563	1.4
324.12256	13.7
342.13354	100.0
342.16977	7.4
412.11551	3.7
428.11325	16.4
429.11707	1.3
458.12332	51.7
504.12790	47.9
504.18286	1.8
620.17743	1.3
648.48804	0.9
656.91742	0.9
666.23602	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39510	0.3
56.51854	0.3
58.06583	0.7
78.33550	0.5
92.20905	0.5
132.96252	0.5
165.42505	0.4
228.11732	0.4
276.06342	0.6
290.08035	6.0
302.08148	2.1
304.05981	5.9
318.07547	9.8
319.08380	45.4
320.09155	0.8
321.09839	0.7
334.10712	100.0
336.12177	4.0
338.13892	2.9
452.76648	0.5
634.21649	5.4
666.24451	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11997	0.3
74.23468	0.3
76.88965	0.3
88.95729	0.3
160.29469	0.3
215.44809	0.4
247.65468	0.3
290.08112	5.5
302.08145	1.4
304.06003	6.3
318.07578	7.6
319.08386	43.0
320.09250	0.4
334.10733	100.0
369.71136	0.4
634.22040	7.1
635.10040	0.4
666.24500	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21197	0.6
62.47952	0.6
106.38261	0.6
119.91559	0.7
134.26147	0.7
252.65582	0.6
276.06439	1.0
290.08096	7.9
292.09564	0.8
302.07993	1.2
304.05997	5.8
318.07666	9.8
319.08401	45.5
320.09140	20.1
321.09811	0.9
334.10727	100.0
336.12262	9.6
357.22711	0.7
466.21365	0.7
498.11823	1.0
634.21252	4.6
648.36591	1.0
666.24573	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08383	0.3
55.32219	0.3
61.79912	0.3
68.27512	0.3
70.46846	0.4
89.04940	0.3
160.82933	0.3
174.56790	0.4
178.88391	0.3
290.08099	7.0
302.08109	1.5
304.06049	6.6
318.07635	7.3
319.08392	41.7
320.09097	0.8
334.10733	100.0
336.12234	0.5
343.59540	0.4
622.61401	0.4
634.21783	4.1
666.24475	43.5
690.67145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62022	0.2
59.20154	0.3
60.14294	0.3
70.88435	0.3
70.92139	0.3
76.16481	0.3
77.78708	0.3
82.85802	0.3
84.02068	0.4
95.35956	0.4
100.59665	0.3
102.86112	0.4
254.06831	0.4
276.06396	0.5
290.08121	5.6
302.08142	1.6
304.06024	5.6
318.07617	7.7
319.08398	44.9
331.38412	0.4
334.10736	100.0
634.21930	6.8
666.24493	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21197	0.6
62.47952	0.6
106.38261	0.6
119.91559	0.7
134.26147	0.7
252.65582	0.6
276.06439	1.0
290.08096	7.9
292.09564	0.8
302.07993	1.2
304.05997	5.8
318.07666	9.8
319.08401	45.5
320.09140	20.1
321.09811	0.9
334.10727	100.0
336.12262	9.6
357.22711	0.7
466.21365	0.7
498.11823	1.0
634.21252	4.6
648.36591	1.0
666.24573	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25243	0.5
71.44051	0.4
87.69616	0.5
110.61763	0.4
111.44892	0.4
128.19559	0.4
132.29413	0.5
228.19910	0.4
290.08066	6.7
302.08154	1.7
304.06091	4.8
307.23016	0.5
318.07498	7.9
319.08371	38.6
320.09149	2.3
321.09711	2.0
322.10529	1.0
334.10715	100.0
335.11090	1.9
336.12186	5.2
337.13025	0.9
352.15390	3.3
453.15356	2.9
456.14081	0.8
457.14963	0.8
469.15057	0.6
470.15973	2.3
471.16336	6.4
472.17111	2.1
483.12979	0.9
487.19385	2.4
497.14093	0.8
498.14999	0.7
501.25870	0.5
513.17389	1.7
634.22198	5.1
650.21692	0.7
666.24957	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96346	0.2
53.53869	0.2
59.87033	0.2
60.60321	0.2
69.03426	0.5
85.02877	0.3
91.05499	0.2
103.05462	3.0
107.04938	1.8
111.04446	0.3
120.08099	100.0
129.05444	0.3
131.04909	3.4
149.05981	2.6
166.08621	48.6
171.06595	0.2
189.07594	0.3
345.46408	0.2
522.68927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37667	0.6
53.67224	0.6
86.54780	0.7
99.04459	1.4
105.07024	4.0
107.04957	14.1
115.05437	0.8
119.08529	1.1
124.05222	1.8
129.06976	6.9
131.04944	1.7
133.06505	9.1
147.07986	1.1
153.05444	1.6
155.04869	0.9
159.08058	5.1
161.05951	20.3
167.07027	100.0
171.07957	1.0
175.07524	23.0
177.05455	1.1
179.07005	1.5
187.07536	30.8
189.09123	2.0
191.07018	5.0
199.07550	7.3
203.08525	1.1
206.07214	0.9
207.13884	0.9
209.08054	1.8
217.08585	3.1
221.09584	3.7
223.69881	0.8
233.09578	3.2
249.09085	10.3
250.09871	1.1
259.07489	0.9
261.09113	4.4
277.08661	4.4
278.09366	3.3
281.11707	22.8
289.08585	4.2
290.08621	0.7
293.11801	3.9
294.08768	1.4
299.18744	0.9
306.08899	3.1
309.11188	12.2
310.11887	1.2
311.09134	1.7
319.08292	3.1
320.09195	4.5
321.11151	5.7
322.11133	1.9
323.10858	0.9
324.12076	1.2
326.11478	3.5
334.10718	3.8
336.12125	6.3
341.13828	52.5
343.15393	0.9
353.13809	18.2
361.16336	1.3
371.14880	25.0
666.24310	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59784	0.2
70.36575	0.3
80.48073	0.2
151.53058	0.3
152.39282	0.3
175.03883	0.4
184.25243	0.3
196.99762	0.3
201.05493	0.3
207.06563	0.3
290.08154	2.7
292.09692	2.4
301.27951	0.3
301.39368	0.3
302.07935	0.4
304.06110	2.2
318.07623	3.0
319.08374	15.6
320.09158	100.0
321.09851	1.6
334.10712	30.6
336.12280	8.9
336.16022	0.3
338.13818	0.3
352.15369	0.4
618.19122	0.3
634.21753	1.5
666.24030	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59784	0.2
70.36575	0.3
80.48073	0.2
151.53058	0.3
152.39282	0.3
175.03883	0.4
184.25243	0.3
196.99762	0.3
201.05493	0.3
207.06563	0.3
290.08154	2.7
292.09692	2.4
301.27951	0.3
301.39368	0.3
302.07935	0.4
304.06110	2.2
318.07623	3.0
319.08374	15.6
320.09158	100.0
321.09851	1.6
334.10712	30.6
336.12280	8.9
336.16022	0.3
338.13818	0.3
352.15369	0.4
618.19122	0.3
634.21753	1.5
666.24030	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59784	0.2
70.36575	0.3
80.48073	0.2
151.53058	0.3
152.39282	0.3
175.03883	0.4
184.25243	0.3
196.99762	0.3
201.05493	0.3
207.06563	0.3
290.08154	2.7
292.09692	2.4
301.27951	0.3
301.39368	0.3
302.07935	0.4
304.06110	2.2
318.07623	3.0
319.08374	15.6
320.09158	100.0
321.09851	1.6
334.10712	30.6
336.12280	8.9
336.16022	0.3
338.13818	0.3
352.15369	0.4
618.19122	0.3
634.21753	1.5
666.24030	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30028	1.1
85.22093	1.5
91.05473	1.7
97.32555	1.4
107.04946	8.0
121.06471	2.3
131.04883	2.1
137.05908	1.7
144.65596	1.4
145.06493	2.9
157.06549	1.6
161.05942	6.1
163.03833	1.8
167.07021	100.0
173.05984	3.1
175.84688	1.4
179.06969	2.2
181.08556	6.4
187.07475	1.6
189.09119	2.8
193.08629	11.5
205.08444	2.6
207.06595	1.9
217.47049	1.8
219.10104	3.4
223.09506	2.6
233.09589	2.9
249.08997	2.1
249.11259	14.9
261.09045	2.1
268.32504	1.5
270.72440	1.7
277.08521	1.8
279.10135	1.6
311.12585	2.2
319.08334	7.7
320.09253	2.1
321.10916	1.8
334.10657	12.0
336.12137	2.9
343.15417	7.4
353.13358	5.0
361.16495	13.1
371.14798	9.9
385.16354	7.1
389.15817	34.8
403.17487	2.1
421.18350	7.9
484.10361	3.1
604.11542	1.9
666.14893	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80169	1.4
62.03248	1.7
62.47714	1.5
81.07097	1.4
81.27637	1.7
85.02906	3.5
97.02870	2.1
107.04950	8.6
114.33495	1.7
131.04947	1.9
131.08589	1.7
145.06506	2.1
149.05928	2.0
161.05974	3.5
163.03951	3.2
163.07469	2.1
167.07036	100.0
173.05980	3.2
175.07478	2.0
177.05476	2.2
179.07057	2.1
181.04967	1.9
181.08582	12.3
187.07539	3.3
191.07060	10.2
191.93048	1.8
192.07568	1.9
193.08647	13.3
193.75385	1.7
205.08539	3.7
217.08540	3.5
219.10188	2.6
223.09569	3.9
233.09573	2.1
237.09149	2.0
242.14180	2.0
249.09016	3.0
249.11223	13.4
261.08997	1.8
264.11960	1.4
271.24170	4.0
279.10135	1.7
281.11743	3.3
285.07764	2.5
286.07870	2.0
293.11841	2.8
311.12897	3.6
320.09229	14.3
325.14633	2.2
343.15414	8.4
353.13849	2.5
361.16473	18.2
371.14804	9.2
385.16360	6.7
389.15848	40.0
403.17557	3.3
421.18692	15.6
499.50772	1.7
666.28394	2.8
690.33142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43539	3.3
55.05507	4.3
58.06610	8.1
61.02942	39.4
67.05515	29.0
69.07072	5.2
71.05000	4.7
73.02921	16.8
73.87979	3.8
75.64606	4.0
79.05494	27.9
81.07065	50.0
83.08649	4.8
85.02924	56.4
85.06540	4.9
87.75547	3.8
91.03949	49.7
91.05491	6.9
93.07047	44.8
95.08614	31.7
97.02895	18.3
99.08086	5.5
105.07053	9.4
107.08597	35.6
109.10148	24.5
119.08581	18.8
121.10136	47.3
123.11726	16.7
127.03934	23.1
131.08554	18.2
133.10132	20.9
135.11714	58.4
137.13162	4.6
145.04950	16.0
145.10138	17.2
147.11711	7.2
149.09525	5.4
149.13269	23.8
159.11696	18.8
163.05981	39.3
166.11891	3.6
170.08730	3.8
173.13263	8.9
214.38161	5.3
214.72319	3.9
215.17934	51.6
233.19009	81.1
307.22668	7.6
320.09146	4.7
325.11212	7.1
325.23724	100.0
334.09964	4.0
336.12466	16.6
358.20285	3.9
648.36090	5.4
666.30902	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16645	10.5
61.02923	27.9
62.70443	10.2
67.05504	30.8
79.05492	29.8
81.07053	61.2
85.02896	54.2
91.03934	47.2
93.07034	67.3
95.08608	26.9
97.02879	17.9
102.93711	12.1
107.08620	29.9
109.10155	50.7
119.08565	20.1
121.10124	62.3
123.11719	13.5
127.03936	17.0
128.17815	12.5
133.10114	19.2
135.11685	61.5
145.04897	12.0
145.10109	18.6
149.13295	24.9
155.05742	13.3
159.11697	26.7
163.05939	18.8
171.47597	13.2
173.13171	15.8
215.17825	62.6
225.00900	12.5
233.18945	73.9
248.26546	11.7
307.22696	22.9
320.09271	28.2
325.23785	100.0
336.12317	54.4
338.13690	20.9
452.50046	12.7
574.68347	13.9
666.33533	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55970	0.7
51.82986	0.8
53.03961	1.2
55.05511	6.6
57.03442	6.2
57.07063	5.5
57.68566	1.0
58.03119	0.9
58.06609	1.5
61.02639	1.6
61.02932	26.7
66.76939	0.9
67.05509	41.3
69.03423	2.3
69.07072	5.8
71.04992	2.2
73.02911	12.8
78.33821	0.9
79.05499	25.4
81.03407	1.7
81.07061	50.3
83.04996	1.7
83.08625	7.0
85.02905	39.1
85.06550	5.8
91.03956	41.4
91.05470	12.9
92.57290	0.9
93.07035	44.4
95.04934	2.2
95.08606	40.9
97.02893	17.6
97.06511	2.0
99.04449	1.3
99.08084	4.9
99.27792	1.0
105.07034	10.8
107.08600	30.7
109.02859	1.2
109.06508	1.5
109.10159	29.9
111.08081	4.1
113.09656	1.6
115.03899	2.0
115.06213	1.0
117.07025	8.2
119.08577	13.1
121.06566	1.3
121.10136	44.8
123.08051	1.4
123.11691	17.8
125.09615	2.0
127.03870	12.5
127.09647	0.9
131.08566	19.8
133.10132	18.2
135.08105	1.4
135.11688	50.3
137.09612	2.0
137.13281	2.1
139.11200	1.4
145.04955	15.9
145.10149	17.8
147.11716	14.7
149.09631	5.4
149.13264	28.3
151.11171	4.0
151.82904	0.9
155.08472	1.2
156.02112	0.9
159.11670	24.4
161.13237	3.8
163.06018	18.7
163.11157	1.4
163.14807	1.2
163.36044	1.1
173.13237	17.5
175.14767	1.2
177.12762	2.4
187.14841	6.0
189.16455	1.4
205.19472	6.7
215.17931	56.3
217.19417	1.2
233.18994	79.2
235.20468	1.3
251.20015	2.1
307.22672	28.4
321.10144	1.2
325.11194	1.6
325.23721	100.0
336.12253	6.5
469.27869	13.9
596.11346	1.3
631.33081	1.3
638.44379	1.4
666.35291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09903	2.4
52.64795	2.6
53.03951	4.3
67.05515	7.1
69.07062	6.8
69.16382	2.7
73.02908	18.2
79.05492	5.1
81.03419	16.2
81.07055	6.8
83.08619	3.4
85.02904	7.6
91.05464	17.4
93.07052	7.2
95.04944	4.4
95.08632	6.2
97.02857	7.1
99.04459	100.0
105.07049	12.4
107.08600	12.0
117.07018	3.7
119.08577	16.4
121.10126	4.1
127.03925	3.1
129.06982	4.0
131.08556	5.5
133.10120	7.6
143.08643	3.1
145.10118	4.2
147.11711	4.3
157.10138	5.0
167.08504	3.4
171.11607	12.1
183.11742	3.4
184.07375	4.1
243.08507	5.4
320.09143	4.2
336.12344	4.3
413.26794	5.1
493.29587	5.0
511.30344	13.1
529.31384	15.7
591.92743	3.5
618.63641	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4338
Annotation	PAz-PC
Peak:m/z	Relative Intensity
58.06341	0.5
58.06599	0.7
58.51045	0.5
60.08176	5.6
69.60667	0.5
71.07370	0.8
86.09711	23.9
98.98490	0.9
104.10776	1.4
123.14931	0.6
124.99997	11.4
171.56793	0.6
177.10104	0.6
184.07344	100.0
320.09088	2.1
541.12500	0.6
666.43433	30.4
666.54913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85991	0.8
53.23820	0.8
58.06612	1.0
58.83293	0.9
58.92390	0.9
62.18751	0.8
68.29044	1.1
75.08611	1.0
92.71558	1.0
103.98139	1.1
113.00205	0.9
138.93561	1.0
151.33856	1.0
168.29306	0.9
310.55002	1.2
320.09100	4.7
322.10690	1.7
334.10727	1.7
403.74072	1.1
474.13547	1.2
595.14752	7.9
609.12756	9.5
623.14532	30.4
651.14166	28.3
667.16974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50838	1.2
65.03956	2.1
70.02937	2.5
70.06584	2.8
70.35302	1.4
76.72725	1.9
79.05495	6.3
80.05043	3.7
81.03428	5.9
81.11711	1.6
84.04501	2.9
85.02937	1.9
87.05595	7.3
91.05479	3.9
106.06572	9.8
107.04929	3.0
108.04489	3.2
109.02872	7.3
109.06489	1.8
110.06046	6.3
111.04423	3.2
117.03380	10.6
119.04964	3.7
125.04736	12.9
126.05514	8.8
127.03940	1.6
132.04390	1.8
133.02852	18.2
134.06018	47.3
135.04454	1.8
135.06813	9.1
136.03935	6.4
136.07562	8.8
137.05975	7.2
138.05498	2.0
145.02850	65.5
147.04427	7.6
147.07658	2.7
149.05980	8.7
149.07114	6.5
150.05574	2.4
150.06760	2.5
161.05980	2.8
162.05479	8.5
164.03401	1.8
165.05391	2.4
169.87564	1.7
170.04611	2.0
175.03943	13.1
177.05450	100.0
177.06657	25.1
178.04953	21.5
179.08203	16.1
180.06636	1.9
182.04536	3.4
195.07713	2.2
199.16002	1.9
201.05571	11.2
206.04434	3.0
206.11752	2.7
207.06541	1.7
223.07191	8.7
224.05504	7.2
241.08229	12.0
254.08101	2.2
265.08679	1.7
277.08411	1.5
288.77313	1.6
303.98270	1.6
305.08154	2.6
307.09195	1.7
320.09106	3.6
321.09756	5.5
325.10712	9.7
336.12128	2.5
343.13553	2.2
355.11786	14.2
392.14615	2.1
433.12177	2.5
434.13129	1.9
451.13388	3.1
470.15390	1.6
505.16495	2.9
565.18188	11.6
583.19244	78.9
595.18982	2.4
601.20038	7.6
613.20099	19.7
619.21136	2.8
631.21112	3.2
649.21887	8.9
667.23010	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01885	8.8
58.06602	0.5
60.61599	0.5
65.62219	0.5
69.03404	1.1
71.04984	0.6
72.94644	0.5
81.03413	4.7
85.02895	2.9
91.05485	1.3
94.00509	0.5
97.02905	1.3
99.04456	42.8
109.05292	0.5
109.06599	0.5
117.05478	2.1
119.04925	2.8
139.07541	12.3
145.04910	0.6
147.04431	5.1
175.03893	27.9
183.06497	0.8
192.04163	2.9
193.04935	7.2
207.06520	100.0
219.10275	0.9
225.07561	33.7
231.09947	0.7
249.11279	2.1
251.09122	0.6
257.14822	0.7
261.09894	0.8
263.09171	1.2
305.10077	2.9
318.07553	0.8
319.08374	2.1
320.09137	3.6
321.09705	0.8
322.10541	0.7
323.11234	10.7
334.10809	3.9
335.10852	1.2
336.12274	0.9
337.12717	0.8
362.57498	0.6
364.07886	0.7
389.15887	3.1
403.67957	0.6
667.23126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49184	1.1
53.03946	1.3
53.13491	0.8
55.01883	9.7
58.06614	2.5
62.88087	1.0
69.03410	1.0
81.03411	5.2
85.02901	1.7
92.21020	1.5
93.07033	1.1
97.02904	1.0
99.04453	45.3
117.05545	0.9
119.05048	1.3
123.04434	1.0
125.02369	1.1
129.06621	0.9
129.56647	0.9
139.07542	13.3
141.23466	1.0
147.04410	6.5
172.73723	1.0
175.03886	27.3
181.08548	1.6
192.04182	1.9
193.04950	6.2
207.06520	100.0
216.47034	1.0
219.07689	6.4
225.07561	33.3
233.40315	1.1
305.10263	4.6
319.08484	1.5
320.08960	2.1
323.11279	14.1
326.63104	1.1
334.10757	5.0
335.10864	1.3
336.12170	2.1
337.12579	2.1
368.07208	1.1
389.15848	4.6
391.28137	1.2
667.21387	4.5
667.36584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33023	0.6
54.90194	0.6
56.39158	0.7
58.06624	1.5
97.31882	0.8
151.94073	0.7
153.11780	0.7
167.07047	3.2
185.67397	0.7
259.10788	0.9
260.11041	0.9
290.08011	4.2
291.08475	1.8
292.09644	1.0
293.10266	0.9
294.11197	12.6
303.12350	1.1
304.06039	1.9
305.06421	3.1
306.11331	8.0
307.11942	1.1
308.09152	8.4
308.12769	4.1
318.07715	4.4
318.11182	1.5
319.08359	24.0
320.08914	24.4
320.12814	14.5
321.09674	9.1
322.10693	19.9
323.11493	30.2
334.10727	38.0
335.11145	36.1
336.12289	54.0
337.13080	6.6
338.13812	40.3
350.13907	14.2
378.13254	4.8
464.54730	0.9
471.19107	3.1
485.17175	1.8
499.18466	4.6
515.21753	8.3
516.08545	0.8
576.04938	0.9
609.83606	0.8
617.36121	0.9
667.26923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	0.5
92.09721	0.5
178.92845	0.6
292.10153	1.7
292.13416	1.0
293.10461	0.6
294.11240	12.8
306.11209	8.1
307.12036	1.1
308.09274	7.1
308.12933	2.8
318.11508	2.3
319.08472	3.4
320.09183	7.1
320.12955	12.2
321.09937	6.3
322.10745	17.9
323.11514	29.5
334.10699	9.7
334.13922	0.5
335.11310	11.3
336.12292	47.3
337.13019	4.9
338.13855	35.7
338.17908	1.2
350.13889	15.2
350.17902	0.7
378.13544	3.4
383.59402	0.6
452.02975	0.6
471.19467	4.0
481.17740	0.8
483.18985	0.8
485.16937	3.9
499.18790	5.6
500.19659	2.4
515.21686	7.7
667.26617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38055	0.7
58.06606	0.6
62.32964	0.7
80.12790	0.7
83.17956	0.7
92.66224	0.7
96.48961	0.6
124.44681	0.7
132.59534	0.7
137.06018	1.3
161.06142	0.8
215.50458	0.9
217.92517	0.8
276.06604	1.6
277.07007	0.7
290.08282	4.2
291.12640	0.9
292.09833	3.2
292.13464	0.8
293.10443	0.9
294.11267	7.4
302.08118	1.1
304.06207	3.6
305.06604	1.2
306.11169	6.6
307.12323	0.9
308.09372	3.9
308.12720	2.0
318.07886	5.7
318.11282	1.6
319.08337	15.9
320.09210	12.0
320.13000	14.9
321.10037	7.0
321.13348	1.2
322.10760	13.9
322.14178	1.1
323.11560	17.0
334.10751	28.7
334.14529	1.0
335.11346	17.1
336.12302	56.2
337.12793	11.9
338.13821	27.0
350.13867	20.6
378.13309	6.2
471.19406	3.0
482.18304	0.8
485.17334	4.7
499.18692	9.2
500.19861	1.3
515.21881	13.0
625.33575	0.9
626.13135	1.3
644.14630	1.1
667.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
60.44770	0.5
62.67730	0.6
67.79135	0.6
69.50822	0.6
84.88182	0.6
119.71198	0.6
127.20358	0.7
137.06047	0.8
221.04054	0.8
279.08926	0.9
291.12683	1.0
292.09857	1.1
292.13260	1.1
293.10464	1.2
294.11200	15.6
294.14212	0.7
303.12637	1.2
304.06366	0.9
306.11307	7.6
308.09265	10.1
308.12552	2.2
318.07666	0.9
318.11206	1.0
319.08374	9.4
320.08969	9.0
320.12885	14.2
321.09644	5.8
322.10715	19.1
323.11469	32.1
334.10687	23.0
335.11121	21.5
336.12296	47.8
337.12900	8.1
338.13843	38.7
350.13907	15.7
378.13434	4.6
399.52017	0.9
471.19174	3.3
485.17377	4.1
499.18661	5.2
515.21979	9.8
667.26563	100.0
688.57617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38055	0.7
58.06606	0.6
62.32964	0.7
80.12790	0.7
83.17956	0.7
92.66224	0.7
96.48961	0.6
124.44681	0.7
132.59534	0.7
137.06018	1.3
161.06142	0.8
215.50458	0.9
217.92517	0.8
276.06604	1.6
277.07007	0.7
290.08282	4.2
291.12640	0.9
292.09833	3.2
292.13464	0.8
293.10443	0.9
294.11267	7.4
302.08118	1.1
304.06207	3.6
305.06604	1.2
306.11169	6.6
307.12323	0.9
308.09372	3.9
308.12720	2.0
318.07886	5.7
318.11282	1.6
319.08337	15.9
320.09210	12.0
320.13000	14.9
321.10037	7.0
321.13348	1.2
322.10760	13.9
322.14178	1.1
323.11560	17.0
334.10751	28.7
334.14529	1.0
335.11346	17.1
336.12302	56.2
337.12793	11.9
338.13821	27.0
350.13867	20.6
378.13309	6.2
471.19406	3.0
482.18304	0.8
485.17334	4.7
499.18692	9.2
500.19861	1.3
515.21881	13.0
625.33575	0.9
626.13135	1.3
644.14630	1.1
667.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95028	0.5
138.22598	0.7
173.72165	0.8
203.47632	0.7
352.14618	0.8
382.75275	0.7
428.15643	1.3
433.24393	0.9
446.20718	1.0
447.21658	1.6
460.22699	5.7
460.96039	0.7
461.23685	6.7
465.22583	6.0
475.21384	1.0
479.20569	1.5
489.19263	1.4
491.20642	0.8
492.26163	0.8
493.15558	1.2
493.22223	28.0
501.19336	3.7
505.18173	0.8
505.22687	1.3
515.20728	4.3
516.21240	3.5
519.23889	1.1
521.25586	7.7
532.62091	0.8
533.25885	2.4
537.25092	1.5
547.23236	4.9
548.23676	0.8
551.27020	8.9
565.24414	19.6
575.22504	4.4
578.25208	0.8
579.25659	9.9
580.26923	17.1
607.29315	20.2
635.24829	7.8
649.26306	1.2
667.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04930	1.0
56.19605	1.1
57.08652	1.0
57.46407	1.1
80.63961	1.3
80.81256	1.1
85.99835	1.1
253.50900	1.4
329.15277	1.3
427.78284	1.2
447.21738	1.5
459.21793	1.6
460.22220	5.2
461.23486	11.3
477.22781	9.1
489.22525	6.3
491.20425	10.0
502.19717	2.0
503.24176	8.2
505.22513	7.0
515.20013	1.7
517.22388	2.6
519.23492	2.5
521.25171	5.4
530.19305	6.5
533.25458	2.0
548.24103	1.9
549.24731	3.2
565.23816	2.3
607.29468	21.0
635.24780	5.3
667.27972	100.0
667.47565	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.29119	0.4
57.07077	0.6
61.35773	0.6
69.07069	0.6
70.36697	0.5
79.29659	0.5
81.07096	0.7
83.08619	0.5
93.07066	0.7
95.08610	0.8
105.07075	0.7
107.08656	1.0
109.10271	0.5
112.03812	0.8
131.08643	0.6
145.10181	0.8
156.35088	0.5
252.45886	0.6
283.14340	0.7
290.67938	0.7
311.99133	0.6
323.34720	0.6
438.84259	0.6
447.21704	2.4
461.22806	0.9
463.25467	0.9
465.23056	0.9
474.24115	0.7
477.23163	0.9
479.20862	3.3
489.23047	1.4
491.20596	2.3
493.21365	5.1
502.23685	2.5
503.24500	2.6
505.22498	2.8
507.23767	8.2
515.21082	0.8
517.22424	1.4
519.25098	0.7
520.24878	2.8
521.25665	3.8
523.23242	1.1
530.23492	0.8
531.24103	0.8
533.22040	0.9
535.27301	6.0
537.25055	3.5
545.25891	4.2
551.22937	30.8
551.31500	1.2
563.26392	5.7
565.24524	11.4
579.26178	2.4
580.26941	2.3
589.24146	1.4
607.25519	4.4
623.28351	3.7
649.26556	1.3
667.27679	100.0
667.48029	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60500	1.3
62.28833	1.3
63.83851	1.3
67.09548	1.3
71.30614	1.4
110.47203	1.6
120.48824	1.7
131.08569	1.9
238.45905	1.7
244.63512	1.7
257.19171	1.8
265.06210	1.7
284.41556	1.8
294.79501	1.7
433.24094	3.5
446.21249	2.6
447.21667	3.2
459.21741	3.1
460.22467	12.3
461.23340	14.2
473.23297	2.9
487.25131	2.4
533.25360	10.1
579.29504	2.4
593.27539	2.4
607.29108	49.4
667.31232	100.0
667.41449	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46495	1.8
54.84381	1.8
79.42707	2.1
81.07057	3.0
132.18462	2.6
162.49278	2.6
175.10933	2.7
185.59955	2.1
321.46378	2.3
385.17493	2.4
447.21790	3.1
449.76434	2.3
459.21872	3.0
460.22592	14.8
461.23328	18.8
473.23511	3.9
487.24228	3.5
493.22202	3.1
533.25262	10.8
535.26959	3.1
565.24750	3.0
579.26563	2.4
607.29242	54.6
667.31238	100.0
667.41992	4.5
667.49359	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55379	0.9
64.64234	1.0
67.05511	1.9
79.05498	1.3
81.07036	1.5
81.32152	1.1
90.80112	1.1
93.07046	2.1
136.03877	1.2
150.06308	1.2
243.04114	1.3
272.26245	1.3
317.20865	4.5
373.23129	2.0
501.63068	1.4
667.45428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26809	0.9
56.45535	0.9
57.07072	1.9
58.04216	1.2
61.04569	0.9
67.05503	1.2
68.96052	1.1
69.07049	1.4
71.08626	1.7
73.06555	1.3
74.89432	1.0
81.07051	2.4
87.04462	2.6
89.06037	12.0
94.53968	1.0
95.08607	1.5
105.07058	1.6
107.08583	1.9
109.10133	1.2
110.10737	1.0
127.61710	1.0
133.08632	4.8
191.17987	1.1
296.29327	1.2
317.20786	8.1
373.23022	1.4
667.45233	100.0
691.08179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84085	0.2
56.07788	0.3
58.06580	1.3
63.05597	0.3
85.27669	0.3
114.03396	0.5
119.25750	0.3
149.34091	0.3
172.03937	9.5
190.04988	100.0
208.50069	0.4
218.04430	1.5
265.08621	0.5
297.10901	0.4
307.08176	0.3
312.62268	0.3
334.07159	0.4
445.11917	1.4
460.13104	0.5
471.66391	0.3
477.10880	0.5
495.11902	1.7
608.14404	1.8
624.17883	2.3
638.12103	0.4
668.16620	46.1
668.40802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	1.3
66.27081	0.5
66.68856	0.5
115.40646	0.6
142.84396	0.7
263.09451	0.7
276.58929	0.7
279.12582	0.9
291.09012	2.7
292.09497	1.2
294.11346	1.0
307.12018	37.1
308.12772	3.0
313.25107	0.6
319.08530	1.2
320.09299	0.8
321.12369	8.7
322.10327	1.0
333.12439	0.6
334.10571	4.4
336.12292	1.1
437.11572	0.7
453.14435	8.1
481.13824	4.6
608.17889	1.1
610.16144	2.9
624.17798	6.2
636.16614	2.2
652.17157	22.8
653.17401	1.2
668.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.3
70.06586	6.2
71.04979	1.1
81.03415	6.0
85.02915	5.8
86.05584	1.1
86.06074	6.1
87.04464	11.8
91.05492	7.5
97.02867	4.7
98.06054	23.6
99.04444	5.1
106.06554	2.4
109.02904	5.0
116.07086	27.4
119.04936	24.4
121.06509	2.7
124.07581	2.5
125.04696	1.6
126.05473	1.6
132.28743	1.3
133.02831	2.2
134.06001	2.7
137.05991	6.2
138.09155	1.7
140.07079	1.5
142.08604	2.7
144.06523	1.3
145.02896	1.5
147.04408	34.5
148.07568	2.5
158.08180	1.7
164.07024	1.9
165.05472	1.2
166.08647	2.0
175.03891	100.0
176.07053	26.1
177.05432	9.7
179.07030	2.5
191.07086	1.6
194.08076	14.1
201.05496	2.0
205.04976	39.6
207.06522	93.6
209.60938	1.3
212.09152	5.9
224.06795	5.6
230.10208	1.8
248.11290	1.8
274.02127	1.3
434.14374	11.5
435.15167	2.3
443.17764	8.1
452.15506	27.5
453.16296	13.1
454.17059	1.7
470.16589	10.0
471.17310	31.4
472.18015	3.1
584.21027	1.8
632.22797	1.8
650.24078	17.1
668.25446	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.7
58.06605	2.9
63.12094	0.7
63.49318	0.7
69.03440	3.3
70.06601	7.1
72.08174	1.0
73.17959	0.7
81.03442	3.9
84.04514	3.0
85.02905	7.9
86.06068	4.5
87.04462	13.9
91.05481	9.4
96.04501	1.3
97.02914	2.0
98.06059	21.6
98.06639	1.1
99.04464	4.7
100.07633	0.8
102.05556	1.2
104.07121	1.6
106.06577	0.8
107.05000	1.4
108.04515	1.1
109.02901	4.7
110.06062	1.4
112.07571	0.9
116.07090	30.3
116.07858	1.2
119.04955	23.9
119.05746	1.4
121.06524	3.2
122.06023	1.5
124.07628	1.5
125.04784	1.6
126.05541	1.7
128.07121	3.1
133.02913	3.3
133.06450	1.0
134.06013	8.7
137.06038	3.8
138.05490	1.4
140.07083	1.6
142.08667	1.9
145.02901	4.1
147.04401	30.1
148.07622	4.9
149.05994	1.9
152.07146	1.1
157.04030	1.5
158.08142	1.6
161.06013	1.3
162.06738	1.1
163.03835	0.9
164.07130	0.9
166.08684	5.1
170.08208	1.0
175.03900	100.0
176.04716	3.2
176.07063	25.7
177.05489	7.3
178.08705	0.9
179.07074	1.4
182.08160	1.5
189.05496	1.2
191.06987	1.6
193.05038	1.3
194.08112	16.0
194.09604	0.9
198.07655	1.2
205.04964	35.5
206.05962	0.9
207.06523	99.7
211.08464	1.9
212.09267	3.7
222.02786	0.9
224.06941	4.2
229.09502	1.0
230.10294	3.1
248.11356	1.3
279.08798	1.0
300.12387	1.2
331.53418	1.0
336.12283	1.0
404.33377	0.8
434.14554	9.6
435.15387	4.5
436.16370	1.5
443.17935	8.3
452.15497	24.2
452.21609	1.1
453.16260	8.6
470.16516	6.9
471.17377	27.7
472.18140	3.3
584.21118	1.3
614.22278	1.3
620.23389	1.1
632.23810	4.4
650.24182	15.2
668.25604	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.3
70.06586	6.2
71.04979	1.1
81.03415	6.0
85.02915	5.8
86.05584	1.1
86.06074	6.1
87.04464	11.8
91.05492	7.5
97.02867	4.7
98.06054	23.6
99.04444	5.1
106.06554	2.4
109.02904	5.0
116.07086	27.4
119.04936	24.4
121.06509	2.7
124.07581	2.5
125.04696	1.6
126.05473	1.6
132.28743	1.3
133.02831	2.2
134.06001	2.7
137.05991	6.2
138.09155	1.7
140.07079	1.5
142.08604	2.7
144.06523	1.3
145.02896	1.5
147.04408	34.5
148.07568	2.5
158.08180	1.7
164.07024	1.9
165.05472	1.2
166.08647	2.0
175.03891	100.0
176.07053	26.1
177.05432	9.7
179.07030	2.5
191.07086	1.6
194.08076	14.1
201.05496	2.0
205.04976	39.6
207.06522	93.6
209.60938	1.3
212.09152	5.9
224.06795	5.6
230.10208	1.8
248.11290	1.8
274.02127	1.3
434.14374	11.5
435.15167	2.3
443.17764	8.1
452.15506	27.5
453.16296	13.1
454.17059	1.7
470.16589	10.0
471.17310	31.4
472.18015	3.1
584.21027	1.8
632.22797	1.8
650.24078	17.1
668.25446	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.256
Annotation	6'-O-beta-D-glucopyranosylalangiside
Peak:m/z	Relative Intensity
55.14275	0.5
57.64520	0.5
58.06592	0.8
62.54974	0.5
63.39336	0.5
69.03427	3.3
72.95287	0.6
77.86063	0.6
80.91106	0.6
85.00659	0.6
85.02909	8.4
87.17487	0.6
97.02909	3.2
109.02905	0.8
119.04935	0.6
119.25462	0.6
127.03937	2.8
135.04440	4.1
137.06012	4.1
151.07541	12.2
160.07515	0.6
163.03993	1.4
163.07498	1.0
163.40601	0.6
176.07100	0.6
178.44498	0.7
179.09488	0.9
180.10182	5.5
182.11829	0.6
188.07117	0.7
190.08624	40.1
191.09419	20.5
192.10223	7.1
206.08232	0.8
208.09706	13.0
208.11476	0.8
223.07631	0.7
236.54492	0.5
249.09106	1.3
253.08725	2.3
257.08096	0.9
263.07162	2.9
273.11249	0.6
277.08398	5.1
281.08188	1.0
283.09644	1.0
285.11313	2.3
295.09698	3.1
311.11670	0.7
313.10809	3.4
326.13766	13.0
344.14902	83.4
634.48132	0.7
668.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14275	0.5
57.64520	0.5
58.06592	0.8
62.54974	0.5
63.39336	0.5
69.03427	3.3
72.95287	0.6
77.86063	0.6
80.91106	0.6
85.00659	0.6
85.02909	8.4
87.17487	0.6
97.02909	3.2
109.02905	0.8
119.04935	0.6
119.25462	0.6
127.03937	2.8
135.04440	4.1
137.06012	4.1
151.07541	12.2
160.07515	0.6
163.03993	1.4
163.07498	1.0
163.40601	0.6
176.07100	0.6
178.44498	0.7
179.09488	0.9
180.10182	5.5
182.11829	0.6
188.07117	0.7
190.08624	40.1
191.09419	20.5
192.10223	7.1
206.08232	0.8
208.09706	13.0
208.11476	0.8
223.07631	0.7
236.54492	0.5
249.09106	1.3
253.08725	2.3
257.08096	0.9
263.07162	2.9
273.11249	0.6
277.08398	5.1
281.08188	1.0
283.09644	1.0
285.11313	2.3
295.09698	3.1
311.11670	0.7
313.10809	3.4
326.13766	13.0
344.14902	83.4
634.48132	0.7
668.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2553
Annotation	3'-O-beta-D-glucopyranosylalangiside
Peak:m/z	Relative Intensity
57.80471	0.5
58.06561	0.8
67.35424	0.4
69.03382	0.6
85.02851	2.5
87.78136	0.5
95.97952	0.4
97.02837	0.7
125.17883	0.5
133.06453	0.8
135.04416	4.6
137.05937	2.7
151.06615	0.5
151.07549	7.7
153.97495	0.5
163.03838	2.4
163.07487	0.7
164.07005	1.9
177.07861	0.6
180.10225	5.2
190.08626	32.3
191.09418	8.9
192.10213	5.3
194.11670	0.6
208.09695	9.7
235.07561	0.8
241.08615	0.9
249.09018	0.8
253.08632	0.9
261.09274	0.4
262.88278	0.5
263.07004	0.9
277.08591	2.6
283.09738	0.8
285.11209	2.2
294.11325	0.7
295.09723	4.1
297.11023	0.5
301.10632	0.5
304.40225	0.6
311.11588	0.5
313.10715	2.9
316.15369	0.6
326.10248	1.7
326.13821	7.9
344.14914	98.0
506.12933	0.8
506.20282	16.0
550.97180	0.5
624.31561	0.9
668.25494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14275	0.5
57.64520	0.5
58.06592	0.8
62.54974	0.5
63.39336	0.5
69.03427	3.3
72.95287	0.6
77.86063	0.6
80.91106	0.6
85.00659	0.6
85.02909	8.4
87.17487	0.6
97.02909	3.2
109.02905	0.8
119.04935	0.6
119.25462	0.6
127.03937	2.8
135.04440	4.1
137.06012	4.1
151.07541	12.2
160.07515	0.6
163.03993	1.4
163.07498	1.0
163.40601	0.6
176.07100	0.6
178.44498	0.7
179.09488	0.9
180.10182	5.5
182.11829	0.6
188.07117	0.7
190.08624	40.1
191.09419	20.5
192.10223	7.1
206.08232	0.8
208.09706	13.0
208.11476	0.8
223.07631	0.7
236.54492	0.5
249.09106	1.3
253.08725	2.3
257.08096	0.9
263.07162	2.9
273.11249	0.6
277.08398	5.1
281.08188	1.0
283.09644	1.0
285.11313	2.3
295.09698	3.1
311.11670	0.7
313.10809	3.4
326.13766	13.0
344.14902	83.4
634.48132	0.7
668.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14275	0.5
57.64520	0.5
58.06592	0.8
62.54974	0.5
63.39336	0.5
69.03427	3.3
72.95287	0.6
77.86063	0.6
80.91106	0.6
85.00659	0.6
85.02909	8.4
87.17487	0.6
97.02909	3.2
109.02905	0.8
119.04935	0.6
119.25462	0.6
127.03937	2.8
135.04440	4.1
137.06012	4.1
151.07541	12.2
160.07515	0.6
163.03993	1.4
163.07498	1.0
163.40601	0.6
176.07100	0.6
178.44498	0.7
179.09488	0.9
180.10182	5.5
182.11829	0.6
188.07117	0.7
190.08624	40.1
191.09419	20.5
192.10223	7.1
206.08232	0.8
208.09706	13.0
208.11476	0.8
223.07631	0.7
236.54492	0.5
249.09106	1.3
253.08725	2.3
257.08096	0.9
263.07162	2.9
273.11249	0.6
277.08398	5.1
281.08188	1.0
283.09644	1.0
285.11313	2.3
295.09698	3.1
311.11670	0.7
313.10809	3.4
326.13766	13.0
344.14902	83.4
634.48132	0.7
668.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00135	1.2
57.44608	1.2
69.03429	2.4
70.06607	5.6
81.03413	1.8
85.02908	11.7
87.04444	1.6
97.02911	3.3
98.06056	1.6
99.04445	1.1
109.02947	2.4
109.69321	1.2
109.70083	1.3
110.07175	1.3
113.31842	1.3
121.06508	3.0
127.03942	3.1
134.05954	1.2
135.04448	5.1
136.07693	1.5
137.06035	2.9
142.92072	1.3
145.02808	1.9
150.07788	2.9
151.07533	10.8
162.43176	1.5
163.03761	1.4
175.03961	2.6
176.07178	2.3
180.10254	6.4
190.08632	40.6
190.10175	2.2
191.09470	17.5
192.10222	7.6
192.14259	1.5
194.08197	2.2
207.06606	7.7
208.09689	14.6
209.70459	1.2
240.03630	1.4
249.09200	1.6
263.07117	2.4
277.08612	5.3
293.08386	1.7
295.09714	6.1
301.10574	1.7
313.10806	3.0
326.13861	10.7
339.08813	3.0
344.14893	83.8
402.87863	1.5
632.18109	1.7
650.22076	2.3
668.25519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21324	0.2
58.06561	0.9
58.06814	0.2
59.96467	0.2
65.48081	0.2
121.84425	0.2
124.39438	0.3
130.80170	0.2
265.08557	0.3
290.08548	0.3
292.09766	2.1
308.09332	0.2
308.12723	1.4
319.08383	1.4
320.09161	11.0
321.09940	4.9
322.10516	0.3
334.10733	2.7
335.11682	0.3
336.12296	100.0
337.12354	0.3
536.21240	0.2
636.22412	0.4
668.26105	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	4.9
69.41105	0.3
73.69934	0.4
95.08584	0.4
99.04393	0.4
107.08595	0.5
121.06515	0.4
133.42499	0.4
149.13162	0.4
178.82307	0.3
265.08475	1.6
292.09628	7.8
297.11124	0.7
304.09390	1.0
306.07617	2.8
319.08450	0.6
320.09106	10.2
321.09921	27.7
322.10635	0.6
334.10623	2.3
335.11194	0.5
336.12277	100.0
337.12714	0.8
338.13882	1.3
385.29401	0.8
668.25763	15.2
668.37823	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.7
64.81812	0.3
89.68742	0.3
106.11076	0.3
115.57298	0.3
141.86516	0.3
292.09674	9.5
304.09760	2.0
306.07596	2.1
320.09167	11.4
321.09952	27.2
334.10605	1.6
336.12286	100.0
450.74667	0.3
668.25342	2.2
668.37622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21550	0.3
179.37706	0.3
225.27586	0.3
292.09637	8.5
292.37369	0.3
304.09680	1.4
306.07611	2.3
320.09161	9.6
320.12781	0.6
321.09955	27.7
328.25482	0.3
336.12274	100.0
431.43942	0.3
593.52051	0.3
636.23499	0.5
668.26025	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21324	0.2
58.06561	0.9
58.06814	0.2
59.96467	0.2
65.48081	0.2
121.84425	0.2
124.39438	0.3
130.80170	0.2
265.08557	0.3
290.08548	0.3
292.09766	2.1
308.09332	0.2
308.12723	1.4
319.08383	1.4
320.09161	11.0
321.09940	4.9
322.10516	0.3
334.10733	2.7
335.11682	0.3
336.12296	100.0
337.12354	0.3
536.21240	0.2
636.22412	0.4
668.26105	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02267	0.3
58.06590	0.5
62.54617	0.2
67.12235	0.3
67.29940	0.3
71.91847	0.3
84.98705	0.2
85.40381	0.3
137.05978	0.3
145.02878	0.6
152.73570	0.3
155.85487	0.3
177.05513	2.3
193.23041	0.3
278.74081	0.3
292.09680	8.3
304.09567	2.0
306.07623	3.0
319.08383	1.3
320.09164	12.8
321.09943	27.3
322.10339	0.4
334.10687	2.4
335.11368	0.6
336.12299	100.0
337.12656	0.4
387.14453	0.3
411.56226	0.3
486.82687	0.4
621.90942	0.3
668.25354	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86000	0.5
69.03418	0.7
70.06590	0.8
81.03432	5.5
83.12729	0.7
85.02911	1.7
91.05481	4.9
95.05000	0.6
97.02942	0.7
99.04447	10.5
99.04981	0.6
102.03658	0.6
107.04955	34.9
107.05676	1.2
109.02876	2.8
114.80650	0.6
119.04948	12.3
121.06540	2.8
127.03888	0.7
131.04901	0.8
133.10027	0.8
137.05969	5.0
143.04971	3.9
145.06525	4.9
147.04411	17.9
147.05463	1.1
151.07571	1.3
157.04018	0.8
160.05261	0.8
162.79320	0.6
163.07558	1.5
175.03900	73.1
175.07469	11.3
175.14850	4.2
179.07010	0.8
184.20193	0.7
192.10248	2.7
197.09631	1.4
207.06526	84.8
209.09677	3.9
211.11075	0.8
225.09129	1.0
237.09122	6.1
257.11847	0.9
261.09689	0.9
269.11716	13.1
269.14267	0.7
271.13553	0.9
300.12833	0.8
300.15961	20.1
300.19135	1.1
322.10632	1.0
336.12372	1.3
337.12524	1.2
338.13947	0.9
351.10861	2.7
369.11774	0.8
425.69342	0.7
668.27039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19526	0.8
60.39219	0.8
64.62750	0.8
66.06289	0.8
66.12520	0.7
70.96512	0.8
79.97166	0.8
104.30007	0.9
105.05685	0.8
240.34448	1.3
319.08313	2.2
320.09183	9.8
321.09662	3.6
324.08713	1.2
330.11295	6.0
334.10696	6.4
336.12253	13.8
337.12521	1.8
338.10129	6.7
339.10858	1.7
347.11636	3.6
348.08810	1.3
358.10812	2.1
359.11514	1.1
360.08694	1.2
360.12540	1.5
362.10147	1.3
373.09180	1.7
374.10223	5.8
376.07928	1.9
376.11978	2.0
388.11868	8.4
389.12662	2.1
390.09723	4.6
391.05466	1.6
391.10507	38.6
392.11475	8.0
392.15936	1.2
404.11295	14.0
427.20935	1.2
456.21881	1.4
475.25208	0.9
484.21286	4.1
486.23151	1.5
502.15659	1.5
502.22339	24.9
512.20441	5.7
514.22229	4.1
530.21960	12.4
558.21082	9.2
576.22070	2.0
606.27863	1.2
632.24561	5.3
650.25983	100.0
668.27307	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24351	0.2
62.26475	0.2
109.32584	0.2
130.66614	0.3
153.61565	0.3
187.98978	0.3
188.35040	0.3
292.09671	6.3
304.09705	0.9
306.07654	2.1
319.08383	1.4
320.09119	7.5
321.09912	21.3
322.10464	0.5
323.11334	0.5
334.10648	2.4
335.11032	2.1
336.12268	100.0
337.12726	1.1
338.13675	0.5
374.36404	0.3
389.47302	0.3
429.76041	0.3
490.44547	0.3
668.30615	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10779	0.8
50.55980	0.8
60.43496	0.9
83.89722	0.8
101.16837	1.0
165.05450	5.3
190.04988	16.4
218.04497	2.1
292.05905	1.6
303.05365	1.0
318.07593	2.0
320.05579	1.8
320.09055	3.4
346.07248	2.1
349.05942	6.9
364.08145	100.0
382.09161	25.2
668.32068	18.0
668.45251	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.0
57.03438	3.1
57.07064	10.1
61.02930	26.3
67.05506	43.7
69.07070	17.5
71.08636	5.2
72.59109	2.2
73.02893	8.8
79.05506	9.8
81.06615	3.7
81.07059	65.3
83.08620	10.2
83.95855	2.0
85.02907	38.8
85.06529	3.3
85.10170	2.5
87.53398	2.4
91.03954	36.9
91.05482	10.2
93.07057	9.8
95.08607	56.4
97.02892	15.2
97.06507	3.0
99.08099	4.6
105.07001	2.5
107.08594	10.0
109.10147	22.4
111.08027	3.5
111.11701	2.5
113.09612	2.7
119.08563	14.4
121.10138	12.8
123.11729	22.9
127.03928	8.8
133.10130	23.9
135.11684	22.2
137.09682	3.1
137.13242	10.7
145.04971	13.9
147.11708	16.9
149.13243	9.1
151.14848	12.2
161.13222	14.6
163.06017	16.6
175.14804	9.1
179.03535	2.6
191.18013	2.5
217.19508	56.4
235.20532	100.0
237.22017	2.7
242.93311	2.4
309.24219	26.2
316.32397	2.9
327.25244	53.3
334.29251	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	8.6
64.34213	1.2
65.14980	1.2
69.03413	1.4
69.07065	5.5
71.04991	1.5
81.07077	1.3
85.02904	1.4
93.07063	1.7
94.47926	1.4
95.08580	1.7
97.02957	1.3
107.08573	2.0
109.10163	7.1
126.54778	1.3
126.90237	1.2
127.11188	2.5
135.11707	3.2
151.07445	1.5
151.11166	1.6
152.64525	1.3
153.11700	1.7
153.12738	13.9
159.81491	1.2
172.00334	1.3
181.08612	3.3
187.03943	8.6
187.11102	1.8
189.05473	2.2
191.07021	3.1
201.09172	7.1
203.06953	1.5
203.10674	5.4
206.87280	1.6
207.06602	1.6
207.10161	1.5
213.09032	1.9
215.10623	16.2
217.12247	14.9
219.06514	21.1
219.13835	2.0
225.09146	1.7
229.08614	2.5
229.12195	2.2
229.66660	1.4
231.10248	7.1
241.08636	2.2
243.10172	36.1
245.11665	3.2
247.13466	2.5
257.11856	2.3
257.15259	2.4
263.12827	11.3
271.16888	14.1
275.12750	25.5
277.14426	2.7
299.16415	9.0
306.50449	1.5
307.09021	2.0
307.12048	22.4
308.08835	1.5
308.12851	2.4
319.08426	4.9
320.09149	8.3
321.12320	9.0
327.15793	5.4
331.19028	100.0
334.10727	14.3
336.08395	1.6
336.12271	6.9
343.22858	2.2
355.22574	1.7
357.24326	2.5
359.18484	3.0
383.22049	2.4
415.24838	23.1
453.14322	7.2
542.88281	1.5
586.59448	1.8
624.17059	1.7
652.16742	8.7
668.20038	62.9
668.29596	4.0
668.37708	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05509	4.9
57.07078	3.9
65.71250	2.6
67.05508	23.4
69.03433	4.8
69.07058	6.9
73.02934	26.5
79.05517	10.0
81.03428	13.5
81.07055	19.5
83.08627	5.6
85.02885	5.4
87.04476	3.4
89.79775	2.7
91.05485	12.1
93.07050	22.1
95.08619	22.2
97.02872	11.3
99.04460	100.0
100.52266	3.3
105.07034	16.2
107.08579	16.0
109.10158	5.7
111.04465	5.4
116.72495	3.4
117.06963	4.0
119.08599	12.6
121.10146	6.9
127.03943	7.4
131.08548	13.5
133.10130	6.6
163.14783	3.6
205.53166	3.3
243.08679	18.1
317.07761	3.6
320.09283	33.4
331.26428	3.4
364.08105	6.4
379.26282	5.9
397.27463	7.5
415.28629	5.4
451.30588	4.6
468.17981	4.3
495.30710	17.2
513.31989	14.4
531.32843	17.5
542.64581	3.6
549.33893	6.4
554.24469	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.0
57.99091	3.4
59.71823	3.7
62.19391	3.1
67.05507	24.0
69.03439	5.8
69.07070	9.5
69.28999	3.7
71.05032	3.5
79.05509	22.1
81.07062	34.2
83.04984	16.6
83.08633	5.8
85.02904	6.5
89.58501	3.5
91.05466	7.7
93.07039	38.6
95.08605	69.1
105.07043	37.4
107.08598	35.7
109.10153	25.9
119.08575	61.4
121.10140	26.4
123.11703	7.5
131.08452	4.3
133.10139	86.8
135.11682	40.3
135.14525	3.7
137.09595	59.4
145.10124	4.8
147.11646	8.1
149.13286	6.5
160.97215	4.3
175.14816	100.0
193.15866	62.0
211.16893	15.3
363.85269	4.8
387.25397	14.5
405.26181	6.0
668.28076	5.7
668.39935	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.1
57.03418	3.7
67.05500	21.6
69.07059	19.3
79.05485	28.6
81.03423	4.4
81.07071	43.6
83.04977	17.1
83.08604	5.7
85.02895	4.6
91.05508	6.6
93.07037	29.7
94.59707	4.1
95.08605	69.9
99.04443	6.2
105.07021	33.9
107.08593	37.5
109.10165	24.9
111.63313	5.2
117.07023	6.6
119.08585	63.1
121.10148	29.3
123.11714	6.6
133.10135	83.3
135.11752	34.5
137.09634	44.4
145.10126	10.1
147.11644	7.4
149.13297	6.6
161.13242	5.3
175.14819	100.0
193.15907	63.2
207.75417	5.0
211.17023	18.3
230.44453	4.6
239.23882	4.3
286.62823	4.4
316.03366	5.1
369.24155	5.8
387.25269	8.4
405.26199	6.5
445.16257	4.5
615.41998	6.4
652.57764	4.6
659.06244	5.1
668.30957	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.6
70.06574	1.4
88.07635	3.1
102.09186	0.6
104.84308	0.3
106.08646	2.5
133.29123	0.3
136.85336	0.3
196.10982	0.3
213.17097	0.3
256.26340	4.0
262.41779	0.3
274.27380	100.0
289.18051	0.3
402.29196	0.3
668.32672	0.6
669.18872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10173	0.9
51.80924	0.8
57.10452	0.8
58.06600	1.2
94.93996	0.9
110.35647	0.9
134.19754	1.1
134.55992	1.0
149.02341	9.2
149.05951	4.2
176.07037	2.4
219.93953	1.0
248.06743	1.1
279.08856	4.8
290.08200	1.3
291.08804	1.6
291.48480	1.1
294.07651	3.5
294.11075	1.5
307.08344	1.4
308.09042	5.1
318.07581	1.2
319.08252	4.9
320.05603	2.3
320.09088	19.0
321.09671	1.9
322.06958	6.7
323.11530	12.9
324.12054	2.1
334.07269	1.2
334.10782	12.2
335.07767	1.4
336.12317	1.3
337.12436	2.2
346.03027	1.5
346.07059	22.5
420.08615	1.3
436.07895	3.9
466.09406	1.7
581.13043	1.5
597.12543	1.1
611.14667	8.5
611.23401	1.3
613.15302	4.4
623.13831	1.5
625.12378	4.1
639.13416	4.7
641.15015	5.9
667.13080	2.0
669.15161	100.0
669.31323	7.3
687.17297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71278	1.0
61.08109	1.0
63.12618	1.1
72.08142	1.4
116.77113	1.1
120.26086	1.1
167.11794	8.9
195.11298	8.6
290.07980	4.8
304.06229	8.3
304.09174	1.7
305.06613	1.6
306.07520	2.1
318.07623	10.8
319.08347	27.0
320.08887	8.4
334.07111	4.6
334.10699	53.8
335.11032	4.7
336.12045	1.9
362.10190	1.6
382.90402	1.6
436.08020	8.1
452.11176	1.6
480.10373	1.8
494.12167	5.7
506.33316	4.8
565.10199	8.8
579.12091	12.3
591.11450	1.6
593.09338	5.7
597.12744	6.6
607.11157	18.9
608.12494	1.4
609.12885	4.7
610.09045	1.9
611.11761	2.2
623.14478	4.1
625.12512	10.4
626.13428	1.8
641.15228	7.4
653.14349	1.6
667.95697	1.3
669.14954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60213	0.4
66.54430	0.4
69.52734	0.4
78.45276	0.4
80.06797	0.4
85.20659	0.4
90.58739	0.4
115.38232	0.5
142.65878	0.5
174.05589	0.6
190.04956	0.6
290.08102	0.8
291.08948	3.7
292.09720	2.6
304.06024	0.6
318.07727	1.0
319.08237	4.2
320.09155	8.2
321.09872	1.1
334.07098	0.9
334.10687	9.2
335.10947	0.7
438.13531	3.9
489.14560	3.0
551.12396	0.6
565.13489	0.6
567.15375	0.6
577.13910	0.6
579.12592	1.1
593.13617	3.3
595.14661	2.3
597.17102	0.7
609.16309	2.5
610.13586	0.7
611.14508	9.3
621.13239	3.6
623.15326	0.8
625.16052	16.9
637.16046	2.7
639.03638	0.6
639.13843	6.7
641.19299	0.5
653.15460	19.5
654.16650	0.9
669.18646	100.0
669.87787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24911	0.5
51.67866	0.5
80.95792	0.6
95.71236	0.5
149.12997	0.6
156.18904	0.6
177.15819	0.6
190.04921	1.1
200.66415	0.6
290.08206	1.1
291.08746	3.9
292.09750	3.1
302.08136	0.7
306.07535	1.1
318.07657	2.7
319.08261	5.5
320.09097	12.8
321.09491	2.1
334.06958	1.1
334.10715	15.3
335.11166	2.2
348.08582	0.7
438.13492	4.2
454.12946	0.8
474.11938	1.1
489.14368	2.8
593.13861	3.6
595.14563	2.7
609.16418	2.3
610.13623	1.0
611.14606	10.5
621.13641	2.2
625.15973	15.2
635.14282	0.7
637.15808	3.0
639.14111	7.4
653.05389	1.2
653.15466	21.0
654.16034	0.7
668.03802	0.7
669.18622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86024	0.5
60.62253	0.5
61.60969	0.6
63.69279	0.6
81.07076	0.6
93.37293	0.6
111.46693	0.8
115.70667	0.6
225.60033	0.7
266.03989	0.7
290.08282	1.1
291.08810	0.7
302.08203	0.8
304.05850	1.0
317.36877	0.8
318.07635	3.7
319.08426	8.9
320.09152	4.0
334.10709	22.3
335.11029	4.4
336.12320	1.1
489.60678	0.8
595.15063	4.0
596.15521	0.8
597.16095	4.6
611.14386	5.0
625.15979	31.3
641.19318	1.0
653.15594	24.8
654.16034	1.1
669.18628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50742	0.3
58.06628	0.4
76.55312	0.4
190.05035	1.9
203.25092	0.4
290.08139	0.6
291.08777	4.4
292.09818	2.9
306.07721	1.7
318.07840	0.8
319.08466	2.2
320.09137	8.9
321.09738	1.0
334.07150	0.7
334.10562	3.7
335.11639	0.4
438.13373	5.0
454.12872	0.6
474.12360	0.6
489.14462	2.6
567.16522	0.5
579.11938	2.2
580.13568	0.6
581.17310	0.6
584.42395	0.5
591.12311	0.5
593.12854	3.5
594.14685	0.7
595.14832	3.1
597.16541	2.4
607.14844	0.6
609.17047	3.2
611.14502	12.4
621.12744	3.1
624.14917	0.7
625.16028	18.1
637.15875	2.6
638.34686	0.5
639.13947	6.6
653.15521	21.9
654.16510	0.6
669.18665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62208	0.4
56.50267	0.4
58.06570	0.4
59.35664	0.5
65.08080	0.5
71.16788	0.4
73.95050	0.5
112.37600	0.5
125.64251	0.5
137.39458	0.5
151.27516	0.5
185.89514	0.5
187.01561	0.5
274.27338	0.6
275.06616	0.8
275.09424	15.1
275.27805	0.7
276.10214	15.6
292.09564	1.1
304.09680	100.0
306.11188	0.7
307.08423	12.0
307.56754	0.5
320.09167	14.3
321.09946	0.9
322.10791	3.1
334.10886	0.8
350.04852	0.6
442.58020	0.6
477.14685	1.0
579.15863	1.0
611.14380	2.8
625.16608	3.3
635.14148	0.8
639.14331	2.0
653.15747	2.6
669.18872	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
85.16729	1.0
137.94727	1.0
156.93083	0.9
166.99361	1.0
171.41252	1.0
190.05037	1.9
277.96094	1.1
278.08347	1.1
291.09058	1.5
306.07666	1.4
320.09045	12.6
334.07355	1.2
336.08719	1.4
336.12317	5.8
337.12769	4.1
468.14532	5.3
593.13452	3.7
595.14459	2.1
609.16553	5.2
610.13934	4.0
611.14264	14.5
625.16095	37.1
637.16223	2.0
638.17059	2.4
639.14056	7.3
640.18579	2.5
653.15594	12.9
669.18665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70053	0.4
59.70772	0.4
76.56785	0.4
122.53218	0.4
128.06706	0.5
155.63367	0.5
178.89517	0.5
188.35938	0.4
248.10713	0.6
275.06555	0.8
275.09384	15.8
276.10181	15.7
291.08987	0.6
292.09756	0.9
302.62289	0.5
304.09659	100.0
305.06793	0.9
306.11163	1.0
307.08371	9.4
320.09149	13.5
321.10071	0.6
322.10712	2.3
334.10767	0.6
393.69040	0.5
466.12677	1.0
567.15869	1.1
595.15222	0.8
611.14398	2.0
623.14514	0.5
625.15875	2.8
635.14557	1.0
639.13586	3.2
653.15503	2.5
669.18726	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35960	0.4
58.06595	1.2
67.49962	0.4
70.69532	0.5
97.46638	0.5
100.13026	0.5
284.86746	0.6
290.08099	5.7
302.08170	0.6
304.06104	4.4
307.08441	2.3
308.09274	2.3
318.07538	9.3
319.08319	20.9
319.11865	0.9
320.09143	3.5
322.10757	3.3
334.07074	1.8
334.10693	49.0
335.10959	4.0
336.12302	1.3
362.10318	3.5
468.15875	0.5
468.33218	0.6
489.10934	6.5
550.15253	2.0
569.17554	1.0
579.15546	2.4
581.13434	1.2
583.15009	3.9
593.13690	1.2
595.12457	2.3
597.16614	0.7
607.15002	4.9
609.15900	1.3
610.13702	5.1
611.14569	3.1
625.16034	28.1
639.14075	6.9
653.15515	6.2
660.23315	2.5
669.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83218	0.5
112.38463	0.5
128.27882	0.4
153.34337	0.5
190.04918	0.6
201.95195	0.5
242.51709	0.5
243.27858	0.6
257.46826	0.6
267.56058	0.5
291.08951	3.0
292.09576	1.9
306.07474	0.8
320.09241	5.4
346.07416	0.7
438.13162	2.5
454.12909	1.1
468.14520	3.4
474.12097	0.8
489.10980	0.9
567.12683	0.7
579.12408	0.8
581.12323	0.6
583.15228	0.8
593.13141	2.5
594.14227	0.9
595.14594	2.8
596.12439	0.8
597.16418	0.7
607.14838	0.6
609.16467	4.5
610.13684	2.9
611.14380	12.2
621.12708	1.9
625.16058	32.2
637.16016	2.3
638.16840	3.0
639.14069	5.6
640.18268	2.6
641.19965	0.6
651.15045	0.6
653.15649	11.4
669.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60568	0.4
86.07006	0.6
114.97708	0.6
123.23454	0.6
135.96878	0.5
139.29689	0.5
233.08867	0.6
250.12433	0.5
275.09421	10.8
276.10187	10.9
291.08810	0.7
304.09656	90.4
305.06796	4.4
306.07651	0.6
307.08362	9.1
320.09155	13.4
321.09924	2.5
322.10797	3.0
334.11005	0.8
346.07184	0.7
384.60739	0.6
436.12079	0.9
438.08987	0.8
439.10504	1.1
454.12973	2.6
466.12964	1.0
611.14587	5.0
621.12347	0.8
623.14105	0.9
625.16278	3.6
639.13867	12.1
653.15717	3.3
669.18646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49673	0.5
92.20905	0.7
142.99536	0.6
206.62540	0.7
407.22122	0.9
421.20285	0.7
423.21838	1.2
430.21887	0.7
433.20099	1.0
434.21051	3.7
435.21793	4.2
449.19815	4.1
462.20737	3.1
463.21362	4.0
479.20435	1.0
507.24237	16.9
517.22473	0.8
521.21783	0.6
523.23364	0.9
531.75262	0.7
533.25873	2.6
535.23376	30.1
536.24170	1.2
537.24640	1.3
549.24518	1.0
567.26166	12.1
581.24298	2.7
591.25708	2.4
595.25464	14.1
609.27014	9.9
669.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2914
Annotation	Euphorbiaproliferin D
Peak:m/z	Relative Intensity
52.49673	0.5
92.20905	0.7
142.99536	0.6
206.62540	0.7
407.22122	0.9
421.20285	0.7
423.21838	1.2
430.21887	0.7
433.20099	1.0
434.21051	3.7
435.21793	4.2
449.19815	4.1
462.20737	3.1
463.21362	4.0
479.20435	1.0
507.24237	16.9
517.22473	0.8
521.21783	0.6
523.23364	0.9
531.75262	0.7
533.25873	2.6
535.23376	30.1
536.24170	1.2
537.24640	1.3
549.24518	1.0
567.26166	12.1
581.24298	2.7
591.25708	2.4
595.25464	14.1
609.27014	9.9
669.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Euphorbiaproliferin D
Peak:m/z	Relative Intensity
69.35411	0.2
81.07053	0.4
123.29421	0.3
169.46507	0.3
203.21465	0.3
222.61604	0.3
291.87228	0.3
336.12354	0.4
405.17206	0.5
407.22763	0.4
421.20099	1.3
423.21841	0.7
433.20563	0.4
434.20975	3.0
435.21863	5.5
436.22321	1.4
447.22275	0.4
449.19531	5.3
459.21863	1.3
461.23325	0.5
462.20450	4.1
463.20975	4.1
464.22195	1.3
465.22717	0.4
466.23788	0.6
475.21066	0.6
479.20911	1.5
481.22818	0.3
489.23154	0.5
491.24591	0.6
494.23132	0.5
495.23987	1.2
507.24365	16.1
509.25653	0.5
511.97800	0.3
517.22028	0.4
519.24152	0.5
521.22174	0.4
523.23749	1.5
525.24390	0.5
533.25500	1.8
535.23401	30.1
536.24005	3.1
537.24982	1.6
539.26453	0.5
549.24487	1.6
553.25031	0.4
563.23279	1.3
567.26135	12.3
568.26947	0.5
577.24365	0.5
581.23969	2.2
591.25928	1.6
592.27167	0.6
595.25500	16.5
609.27051	10.3
651.27991	0.5
669.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54293	3.5
58.06594	16.6
69.07070	6.0
71.04987	6.9
81.03424	4.3
81.07062	5.8
85.02908	4.5
87.81716	3.6
93.07021	6.0
95.78876	3.2
99.04449	58.0
101.09297	3.2
104.42773	3.1
107.08591	6.8
109.10172	5.4
117.05506	3.5
124.24252	3.3
125.57852	3.2
135.11674	12.7
145.10100	3.5
153.12752	14.8
157.10130	5.4
159.11746	5.4
171.11626	7.4
173.09625	7.4
187.11227	6.3
191.10666	15.9
199.14882	14.9
211.11124	4.2
215.10738	4.8
217.12157	4.3
223.14844	5.3
225.16298	4.7
229.12398	3.8
236.69389	3.7
239.14267	5.5
239.17979	7.1
241.15843	7.3
249.30109	3.5
268.93185	3.5
269.15353	21.8
271.58530	3.4
285.22107	7.7
290.08023	7.9
304.06113	4.9
305.06448	3.6
318.07526	19.7
319.08386	48.8
320.08994	31.1
321.09781	12.6
327.23151	5.3
334.06897	7.7
334.10696	100.0
335.07657	6.6
335.11102	26.4
336.12268	8.0
337.21420	7.2
339.13968	4.2
355.22787	26.7
373.23694	68.4
391.24753	22.8
482.08728	5.9
495.99103	4.2
553.14252	13.3
669.14124	65.7
669.37988	19.6
669.71783	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54293	3.5
58.06594	16.6
69.07070	6.0
71.04987	6.9
81.03424	4.3
81.07062	5.8
85.02908	4.5
87.81716	3.6
93.07021	6.0
95.78876	3.2
99.04449	58.0
101.09297	3.2
104.42773	3.1
107.08591	6.8
109.10172	5.4
117.05506	3.5
124.24252	3.3
125.57852	3.2
135.11674	12.7
145.10100	3.5
153.12752	14.8
157.10130	5.4
159.11746	5.4
171.11626	7.4
173.09625	7.4
187.11227	6.3
191.10666	15.9
199.14882	14.9
211.11124	4.2
215.10738	4.8
217.12157	4.3
223.14844	5.3
225.16298	4.7
229.12398	3.8
236.69389	3.7
239.14267	5.5
239.17979	7.1
241.15843	7.3
249.30109	3.5
268.93185	3.5
269.15353	21.8
271.58530	3.4
285.22107	7.7
290.08023	7.9
304.06113	4.9
305.06448	3.6
318.07526	19.7
319.08386	48.8
320.08994	31.1
321.09781	12.6
327.23151	5.3
334.06897	7.7
334.10696	100.0
335.07657	6.6
335.11102	26.4
336.12268	8.0
337.21420	7.2
339.13968	4.2
355.22787	26.7
373.23694	68.4
391.24753	22.8
482.08728	5.9
495.99103	4.2
553.14252	13.3
669.14124	65.7
669.37988	19.6
669.71783	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3605
Annotation	Myrtucommulone A
Peak:m/z	Relative Intensity
52.97172	0.4
54.36831	0.5
67.05512	0.5
85.02907	1.1
92.21561	0.6
96.91477	0.5
98.02725	0.5
99.04422	0.7
116.34927	0.6
119.08585	0.5
127.03940	0.5
175.79814	0.4
303.78448	0.6
320.09131	6.1
321.09564	5.5
367.13647	0.9
375.07489	0.6
422.39862	0.5
517.88940	0.6
669.36053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87703	3.0
55.23838	2.9
57.07085	53.6
61.02930	6.1
65.85445	3.7
67.05506	15.3
67.36352	3.9
69.07068	7.5
71.08638	54.0
81.07053	32.6
83.08624	20.5
84.46791	3.2
85.02933	13.8
85.10184	31.3
91.03963	16.8
95.08606	36.9
97.02911	7.0
97.10168	14.5
109.10161	18.4
111.11720	4.3
115.16985	3.4
119.08604	3.7
123.11674	15.0
127.03915	6.2
145.05000	7.6
163.05988	6.1
253.25243	19.4
327.28946	81.0
334.10538	5.1
345.29944	80.4
346.27145	100.0
430.85553	4.6
483.15070	4.0
595.80432	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06110	1.6
81.07106	1.9
95.08610	1.9
143.45096	1.5
171.39890	1.7
183.45996	1.6
188.78638	1.8
227.58484	1.6
335.18253	11.4
465.06177	2.2
576.72998	2.2
669.43347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73037	0.6
61.93787	0.7
73.01031	0.7
75.46236	0.7
76.09468	0.7
81.07066	1.4
85.45113	0.7
87.10078	0.7
93.07072	1.1
95.08635	1.1
107.08626	1.3
152.56953	0.9
227.87387	0.9
263.14587	0.8
317.20908	7.9
350.64417	0.9
373.23297	1.0
568.32275	0.9
669.46979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52211	0.8
56.18040	0.8
57.96266	0.9
63.00830	0.9
67.05519	1.3
69.07037	0.9
81.07075	2.0
88.78107	1.0
91.05511	1.0
92.20859	1.7
93.07076	1.6
93.45580	1.0
93.46184	0.9
105.07011	1.4
114.31319	1.0
125.08035	1.1
131.08522	1.0
236.98019	1.0
278.40579	1.1
610.13141	1.4
669.47015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07075	0.3
80.63228	0.3
81.01589	0.4
81.07098	0.3
86.85728	0.3
93.07026	0.5
95.08606	0.5
101.72594	0.4
109.10056	0.3
114.12672	0.3
127.64850	0.3
149.08443	0.3
176.06966	0.4
210.97659	0.4
227.14410	0.4
268.10159	0.4
277.25986	0.5
346.27161	100.0
351.17004	0.4
430.46167	0.4
669.32758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.0
97.06511	2.2
119.08575	1.8
125.03967	1.5
126.35217	1.7
133.07411	1.9
160.26552	1.9
212.50566	1.6
314.57413	1.9
346.27151	100.0
571.47418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.0
97.06511	2.2
119.08575	1.8
125.03967	1.5
126.35217	1.7
133.07411	1.9
160.26552	1.9
212.50566	1.6
314.57413	1.9
346.27151	100.0
571.47418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17093	0.5
54.45648	0.5
84.28689	0.6
207.06503	1.3
211.50948	0.7
237.44032	0.7
252.23422	0.7
290.08112	10.1
302.08017	3.0
304.05994	9.7
307.10349	1.0
313.10269	0.7
315.11719	3.1
318.07599	11.5
319.08377	50.4
320.09048	2.9
321.09268	1.0
322.10672	1.1
323.11639	0.8
327.05222	0.8
329.11365	3.9
329.62057	1.0
330.11276	1.5
334.10727	100.0
335.11093	3.2
336.12088	2.9
337.13120	5.4
338.13617	4.5
350.10406	0.8
597.18683	0.9
670.19019	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62009	0.4
57.88098	0.4
65.48830	0.4
73.41366	0.4
107.24728	0.5
257.91846	0.6
268.22910	0.5
290.08112	11.9
302.08057	3.5
303.08899	0.6
304.06049	10.9
318.07559	14.5
319.02878	0.7
319.08383	58.4
320.09219	5.2
334.10727	100.0
338.13846	0.7
391.10263	0.6
457.80246	0.5
490.35291	0.6
670.19165	44.1
670.39288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71991	0.4
87.06348	0.4
96.28165	0.4
99.21833	0.4
104.28422	0.4
118.54187	0.4
137.06009	0.5
251.96045	0.5
285.29712	0.5
290.08130	9.6
302.08063	2.8
304.06027	10.1
308.09296	0.8
318.07596	13.0
319.08389	54.1
320.05374	1.0
320.09180	28.7
321.09573	0.7
322.10571	2.2
323.11438	2.9
334.10721	100.0
335.10657	0.6
336.12189	3.1
337.12686	3.0
338.13794	10.0
387.14487	0.6
556.27454	0.5
670.19086	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49909	0.6
65.70499	0.6
68.42097	0.7
115.04239	0.7
129.08960	0.8
137.34055	0.8
161.91228	0.7
164.27086	0.8
176.41479	0.8
177.05380	0.8
189.61600	0.7
203.63950	0.9
205.42261	0.7
211.17126	0.8
228.86057	0.7
237.96919	0.8
240.08553	0.7
259.09500	0.8
275.76349	0.7
290.08121	12.0
292.09671	3.0
302.08112	3.3
304.05951	7.3
315.15933	1.0
318.07574	14.2
319.08380	54.3
320.09158	66.3
321.09793	0.9
322.10693	1.7
323.11395	1.6
334.10718	100.0
335.11371	1.2
336.12073	3.7
337.12863	3.0
338.13785	10.0
349.82462	0.9
352.15454	1.6
387.14624	1.2
495.93530	0.8
514.15125	1.0
670.19012	53.7
670.62433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62790	0.2
58.06599	0.7
59.54565	0.2
63.58280	0.2
83.82334	0.2
91.18140	0.2
98.32961	0.2
99.56284	0.2
147.04391	0.2
148.64841	0.2
186.18945	0.2
275.09384	0.3
277.41098	0.2
278.08420	0.2
291.09119	0.2
292.09637	9.1
294.11270	2.7
304.09711	1.2
306.07626	3.1
306.11176	0.8
308.09213	1.2
320.09167	10.0
321.09943	27.4
322.10681	3.8
323.11487	10.9
334.10880	0.7
336.12280	100.0
337.13007	1.7
338.13840	33.1
352.15353	2.5
511.01138	0.2
599.18054	0.2
670.25201	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.6
58.78648	0.2
63.65274	0.2
67.05498	0.3
69.03410	0.3
75.31529	0.2
81.03423	0.3
81.07057	0.4
85.02898	0.6
93.07027	0.3
99.04469	0.5
105.07060	0.3
107.08584	0.3
119.08569	0.2
121.10136	0.3
127.03952	0.3
131.08652	0.3
159.11618	0.2
177.05411	0.3
177.37018	0.2
207.49774	0.2
251.30962	0.2
275.20090	1.1
277.11093	0.3
280.09549	0.2
292.09448	0.4
293.21304	0.3
294.11255	9.2
306.11389	1.7
308.09140	4.4
320.09067	1.1
321.09958	1.8
322.10739	11.5
323.11517	30.7
334.10779	1.1
336.12311	5.4
337.12790	1.1
338.13852	100.0
349.73148	0.3
352.15430	1.2
398.09943	0.3
437.26404	0.3
502.90970	0.3
670.27582	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00955	0.2
58.06600	1.6
58.61128	0.3
60.20139	0.3
91.55412	0.3
92.53292	0.3
147.04417	0.5
203.80696	0.3
277.22363	0.3
278.07941	0.3
292.09656	5.1
294.11255	7.7
304.09641	0.7
306.07642	1.5
306.11246	1.6
308.09128	4.0
319.08517	0.5
320.09109	5.2
321.09940	14.2
322.10724	10.8
322.14536	0.3
323.11496	30.4
324.12292	0.4
334.10968	0.6
335.11130	0.3
336.12286	60.7
337.12759	1.1
338.13843	100.0
352.15353	0.7
413.52661	0.3
670.27386	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	2.2
65.70414	0.4
67.42410	0.3
67.48141	0.3
68.31689	0.3
69.03433	0.3
79.05460	0.3
81.07047	0.7
95.08584	0.6
97.02895	0.4
102.59316	0.4
105.07034	0.6
121.06502	0.4
127.03943	0.3
128.24069	0.4
133.10184	0.5
135.00488	0.4
137.05960	0.5
174.05736	0.4
275.20004	0.9
292.09613	2.0
293.21121	0.4
294.11215	8.0
306.07904	0.4
306.11197	2.2
308.09070	3.9
319.08429	0.4
320.09143	2.2
321.09879	4.4
322.06870	0.4
322.10660	11.8
323.11514	28.4
334.10803	2.3
336.12268	15.7
337.12674	1.8
338.13843	100.0
352.15396	1.7
621.50854	0.4
670.26367	6.5
670.38568	2.5
670.49469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.0
57.03442	4.5
57.07079	3.5
57.32194	2.1
61.02927	20.6
67.05515	16.7
68.41721	2.0
69.07068	18.8
71.08635	3.8
73.02932	2.4
79.05518	4.0
81.07065	26.4
83.08635	24.6
85.02909	21.6
91.03942	22.5
93.07045	14.2
95.08616	20.7
97.02893	13.2
97.06521	4.5
97.10175	13.6
99.08085	2.8
105.07064	4.4
107.08600	14.1
109.10143	19.0
111.08070	4.3
121.10152	38.7
123.11700	10.4
125.09647	3.4
127.03908	3.0
135.11696	26.7
137.13246	10.2
139.11195	3.0
145.04955	10.9
145.10143	3.0
147.11633	3.1
149.13216	11.4
153.12637	2.8
163.06042	14.0
219.21068	22.1
223.75990	2.7
237.22134	30.2
255.23166	3.7
256.74948	2.8
276.37225	2.5
311.25812	36.0
320.09091	6.1
329.26868	100.0
336.12091	18.0
337.12656	4.1
670.28284	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.8
57.03438	2.2
57.07092	7.6
61.02937	19.7
62.09126	0.8
67.05511	13.3
67.98576	0.9
69.07076	15.1
71.08634	2.2
73.02917	6.1
79.05479	7.2
81.07059	26.8
83.08625	23.0
85.02427	1.7
85.02904	28.2
85.10201	1.6
91.03952	25.7
91.05456	1.0
93.07043	8.4
95.08611	19.7
97.02897	12.1
97.06531	5.5
97.10159	13.8
107.08601	12.2
109.02905	1.2
109.10163	10.9
111.04423	0.9
111.08103	5.0
111.11722	2.4
121.10141	36.0
123.11716	10.3
125.09583	2.3
127.03903	6.7
127.11160	1.2
128.32530	0.9
129.09132	1.0
135.11684	33.5
137.13219	7.4
139.11159	3.7
141.12726	1.3
145.04984	9.7
149.13254	11.1
150.90373	1.0
153.12746	1.3
163.06009	13.5
163.14809	4.8
177.16440	1.6
219.21071	31.0
234.87630	1.0
237.22089	30.3
255.23163	3.9
311.25800	30.8
320.09134	22.1
329.26846	100.0
334.10788	6.4
336.12183	7.2
392.91690	1.0
473.31042	1.1
562.64612	1.0
577.42633	1.1
670.33295	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99794	4.2
57.07082	6.6
61.02927	19.1
67.05511	11.1
69.07076	17.4
73.02924	7.9
75.71417	4.0
79.05481	5.1
81.07056	36.4
83.08617	19.8
85.02888	31.9
85.10146	3.9
91.03951	21.2
93.07026	8.1
95.08611	26.4
97.02892	5.7
97.10180	18.3
99.04467	7.4
107.08617	9.5
109.10139	19.0
121.10122	39.2
123.11671	7.4
125.09544	4.4
135.11667	33.9
148.74710	4.3
149.13237	17.0
163.05995	5.9
163.14862	4.7
219.21060	25.6
237.22119	36.1
243.08542	4.6
255.23210	7.8
270.95108	5.1
311.25766	35.5
319.08502	5.5
320.09030	37.1
329.26855	100.0
334.10495	32.2
334.96704	19.1
335.11005	7.4
335.67477	4.8
336.12323	56.8
390.99359	7.1
629.22034	23.0
670.34015	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99794	4.2
57.07082	6.6
61.02927	19.1
67.05511	11.1
69.07076	17.4
73.02924	7.9
75.71417	4.0
79.05481	5.1
81.07056	36.4
83.08617	19.8
85.02888	31.9
85.10146	3.9
91.03951	21.2
93.07026	8.1
95.08611	26.4
97.02892	5.7
97.10180	18.3
99.04467	7.4
107.08617	9.5
109.10139	19.0
121.10122	39.2
123.11671	7.4
125.09544	4.4
135.11667	33.9
148.74710	4.3
149.13237	17.0
163.05995	5.9
163.14862	4.7
219.21060	25.6
237.22119	36.1
243.08542	4.6
255.23210	7.8
270.95108	5.1
311.25766	35.5
319.08502	5.5
320.09030	37.1
329.26855	100.0
334.10495	32.2
334.96704	19.1
335.11005	7.4
335.67477	4.8
336.12323	56.8
390.99359	7.1
629.22034	23.0
670.34015	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10556	0.5
57.78826	0.5
62.10111	0.5
70.31993	0.5
89.55524	0.5
137.39647	0.6
171.72339	0.6
189.58109	0.6
232.91313	0.6
246.06612	0.6
278.08087	0.9
292.09662	9.2
294.11240	1.3
295.63745	0.6
304.09735	2.4
306.07681	2.9
320.09125	11.4
321.09943	26.9
322.07077	0.9
322.10666	1.2
334.10837	2.3
336.12286	100.0
350.10187	0.8
352.15445	3.1
356.30707	0.6
553.13599	0.9
569.13715	0.7
581.13757	2.2
583.15143	0.7
585.12750	1.1
597.12811	3.7
599.14227	3.7
600.15125	2.4
609.12598	3.0
611.13696	1.2
612.14874	2.2
613.12256	2.3
615.17371	1.3
627.13928	8.0
628.15100	8.1
630.23120	1.0
641.13458	1.0
643.17346	5.6
655.13123	4.3
656.13702	3.7
671.16376	63.3
671.34723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35828	1.2
55.54679	1.3
61.67175	1.4
67.36462	1.2
70.90571	1.2
74.38097	1.3
82.10933	1.4
111.69896	1.3
190.04987	6.3
233.00836	1.8
278.08127	2.6
283.20334	1.7
290.08087	2.2
292.09457	2.0
294.07611	9.3
294.10855	2.6
295.88394	1.4
297.61496	1.4
306.07541	9.8
307.08310	2.3
307.11819	1.7
308.08997	1.7
319.08319	5.6
320.05408	11.3
320.08997	9.2
321.09631	7.3
322.07117	39.6
322.10565	3.8
323.07822	1.8
323.11383	2.4
333.06265	6.4
334.07483	13.2
334.10345	13.5
335.07742	14.1
335.11163	3.2
336.08585	3.7
336.12280	32.1
337.12567	6.8
338.13873	8.2
349.09457	3.0
350.10214	55.8
410.14890	1.6
456.10782	12.3
524.26550	1.6
581.13464	2.1
585.12622	2.6
610.13049	1.9
613.12323	22.2
641.11902	38.2
656.13605	9.3
671.16321	100.0
671.32672	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44209	1.6
62.97173	1.7
65.76557	1.8
90.27589	2.1
99.02425	2.0
132.10132	1.8
153.61652	2.0
184.02031	2.0
196.59026	2.0
197.57645	1.7
211.00558	2.3
216.14223	2.0
235.51321	2.0
235.74489	2.4
253.63541	2.1
274.21786	2.2
277.07346	10.3
278.04617	8.9
292.06134	8.2
293.06824	24.3
294.11218	12.4
307.08383	13.1
307.11853	3.4
308.09210	11.5
320.09091	3.6
321.06281	27.1
321.09717	6.5
322.10580	2.7
333.10129	2.0
334.10635	10.4
336.08615	19.6
336.12305	41.7
431.10068	2.7
489.10852	34.0
517.10217	34.3
625.12085	4.4
639.13867	4.8
640.14685	2.8
641.11414	2.9
671.16235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
109.69183	0.8
111.45809	0.9
112.18084	0.7
120.31909	0.7
157.40135	0.9
160.26598	0.8
176.07011	1.2
202.80330	0.9
215.28003	0.9
248.07019	0.8
250.08563	3.5
278.08014	6.3
290.08032	1.0
306.07626	1.7
307.08466	5.2
308.09094	4.1
318.07721	3.7
320.09171	7.0
336.08514	3.4
336.12137	1.1
400.07202	0.9
496.10364	0.9
505.13535	1.4
510.12189	1.0
517.10034	1.0
522.14032	3.7
556.53204	1.0
597.16278	1.2
625.16187	6.0
640.18451	3.2
653.15088	7.1
654.14563	1.2
671.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
109.69183	0.8
111.45809	0.9
112.18084	0.7
120.31909	0.7
157.40135	0.9
160.26598	0.8
176.07011	1.2
202.80330	0.9
215.28003	0.9
248.07019	0.8
250.08563	3.5
278.08014	6.3
290.08032	1.0
306.07626	1.7
307.08466	5.2
308.09094	4.1
318.07721	3.7
320.09171	7.0
336.08514	3.4
336.12137	1.1
400.07202	0.9
496.10364	0.9
505.13535	1.4
510.12189	1.0
517.10034	1.0
522.14032	3.7
556.53204	1.0
597.16278	1.2
625.16187	6.0
640.18451	3.2
653.15088	7.1
654.14563	1.2
671.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70800	0.8
55.81013	0.7
57.24762	0.7
62.10663	0.8
64.40446	0.8
76.65356	0.9
79.16204	0.8
121.58463	0.8
137.06059	1.1
168.12120	0.8
175.64128	0.9
212.58487	0.9
276.76898	0.9
279.49725	1.0
317.76294	0.8
319.08328	1.6
320.09018	4.1
334.10770	5.8
335.11069	1.7
336.12155	1.4
553.13068	1.5
567.15588	3.4
569.13348	27.4
581.13361	1.3
583.14923	38.1
595.15045	19.3
597.12927	66.1
609.12994	1.4
611.14502	70.9
612.14618	6.2
627.17590	100.0
671.16425	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70800	0.8
55.81013	0.7
57.24762	0.7
62.10663	0.8
64.40446	0.8
76.65356	0.9
79.16204	0.8
121.58463	0.8
137.06059	1.1
168.12120	0.8
175.64128	0.9
212.58487	0.9
276.76898	0.9
279.49725	1.0
317.76294	0.8
319.08328	1.6
320.09018	4.1
334.10770	5.8
335.11069	1.7
336.12155	1.4
553.13068	1.5
567.15588	3.4
569.13348	27.4
581.13361	1.3
583.14923	38.1
595.15045	19.3
597.12927	66.1
609.12994	1.4
611.14502	70.9
612.14618	6.2
627.17590	100.0
671.16425	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73153	0.9
56.43927	0.8
58.06609	1.2
60.97879	0.9
66.06424	1.0
67.41296	0.9
71.11409	1.1
72.94923	0.9
85.77863	0.9
89.22440	1.0
96.62830	1.2
137.05934	1.2
194.39673	1.2
245.71039	1.2
290.07813	1.2
319.08243	5.3
320.08963	4.8
320.59781	1.2
322.09866	1.1
334.07230	1.1
334.10519	9.3
336.12173	4.2
337.12518	1.4
348.09048	1.0
454.76010	1.3
485.97211	1.1
569.06042	1.3
569.13464	23.5
582.14276	1.5
583.14996	37.0
595.15057	15.3
597.03455	2.0
597.12921	61.2
611.14520	75.3
612.14709	5.6
627.17639	100.0
641.15448	1.8
671.16248	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97733	1.3
71.18046	1.2
84.77963	1.4
89.63394	1.4
145.98062	1.5
216.88129	1.5
227.58141	1.7
251.87035	1.3
290.08145	1.4
292.05963	8.4
294.11206	6.7
304.06165	4.9
304.09631	1.8
305.09927	2.6
318.07635	5.9
319.08353	16.9
320.05472	10.0
320.09247	6.1
321.06268	16.8
321.09732	4.2
322.10376	2.5
334.06815	2.9
334.10687	47.7
336.08679	100.0
336.12244	9.9
337.12735	2.3
455.16858	1.4
538.74426	1.5
572.20477	1.6
611.14392	2.2
623.54840	1.6
641.18890	6.7
658.88196	1.7
671.19012	15.9
671.33051	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67197	0.2
61.29816	0.2
64.76803	0.2
74.03997	0.2
78.24949	0.2
89.36814	0.2
90.02959	0.2
92.84544	0.2
93.13375	0.2
100.13122	0.2
159.69434	0.2
169.18286	0.2
223.54419	0.2
253.72102	0.3
308.09125	5.5
309.31812	0.2
318.07776	0.4
320.09192	2.9
321.10056	0.4
322.07144	1.5
334.10663	0.3
336.08636	6.0
337.09448	22.1
352.11801	100.0
647.98102	0.3
651.56750	0.3
671.20532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85036	0.1
246.96907	0.1
276.06467	0.1
294.07285	0.1
308.09177	6.2
318.07571	0.5
319.08405	0.3
320.09171	3.5
321.09528	0.1
322.07080	1.9
323.07932	0.1
334.07251	0.1
334.10718	0.7
336.08633	6.9
337.09433	20.9
350.10236	0.3
352.11777	100.0
369.31366	0.1
671.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73222	0.3
67.59330	0.2
85.70405	0.3
89.13734	0.3
141.38817	0.3
197.08061	0.4
308.09140	6.1
318.07697	1.0
320.09079	3.9
322.07114	1.6
334.10675	0.5
336.08649	7.1
337.05206	0.6
337.09418	23.0
352.11771	100.0
480.51093	0.3
671.19757	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96727	1.0
53.90939	0.8
65.13052	0.8
123.20809	1.0
146.70850	0.9
161.99026	1.1
163.30296	1.0
174.05476	9.3
188.03557	1.4
290.08112	8.8
294.11218	2.2
302.08084	1.6
304.06012	2.1
306.07605	2.0
307.92813	1.1
318.07675	6.5
319.08395	35.5
319.12003	1.8
320.09109	10.5
321.09674	6.6
322.10736	6.8
326.93359	1.2
334.10706	100.0
334.69913	1.1
335.11194	1.2
336.08466	1.9
336.12292	10.3
426.08752	1.1
468.10745	11.5
483.13260	4.9
484.13916	2.1
498.15302	1.5
623.15448	1.9
626.13165	1.7
641.16003	8.1
671.20184	65.5
671.33661	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85036	0.1
246.96907	0.1
276.06467	0.1
294.07285	0.1
308.09177	6.2
318.07571	0.5
319.08405	0.3
320.09171	3.5
321.09528	0.1
322.07080	1.9
323.07932	0.1
334.07251	0.1
334.10718	0.7
336.08633	6.9
337.09433	20.9
350.10236	0.3
352.11777	100.0
369.31366	0.1
671.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	0.2
56.45854	0.2
65.24743	0.2
71.24614	0.2
77.98373	0.2
86.18329	0.2
89.84854	0.2
90.64639	0.2
108.18705	0.3
129.65625	0.3
130.46944	0.2
155.70401	0.2
168.87177	0.2
169.36868	0.2
243.81648	0.2
290.08661	0.2
291.09180	0.2
308.09204	6.7
318.07782	0.3
320.09091	2.3
322.07065	1.4
334.10742	0.3
336.08652	6.8
337.09442	19.7
352.11798	100.0
370.22159	0.3
671.20264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33533	0.5
54.84117	0.4
73.21995	0.5
83.89508	0.4
90.74595	0.5
103.77589	0.5
123.03906	0.5
137.75659	0.5
195.11478	0.6
220.13713	0.6
248.10809	0.9
262.08624	0.7
276.10220	7.6
277.11023	2.3
288.81760	0.6
290.08295	0.9
290.11932	0.5
291.09427	0.8
291.12567	6.5
292.10049	0.6
292.13254	3.5
294.11322	1.9
304.09677	7.9
305.10428	8.8
306.11264	0.8
307.08313	0.7
308.09204	1.2
319.08380	1.1
320.09222	2.9
320.12778	43.5
321.09750	0.7
322.10605	0.6
323.11560	4.7
334.10834	2.4
335.11356	0.9
336.12460	3.1
364.08551	0.8
597.17047	0.6
613.16376	5.4
625.14777	0.6
627.17542	11.7
639.17664	5.3
641.15552	12.7
655.17047	17.6
656.17426	4.5
671.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49198	0.5
60.81475	0.6
60.86530	0.5
72.95332	0.7
96.29590	0.6
101.62136	0.6
125.91126	0.7
250.08670	3.2
275.09464	6.2
276.10132	7.6
278.08258	3.1
279.08868	10.4
290.08295	0.9
292.06113	1.2
292.09531	2.5
294.11234	51.2
304.06400	2.3
304.09665	56.4
306.07950	0.9
306.11276	1.4
307.08401	10.7
308.09052	1.3
318.07819	3.1
319.08194	4.7
320.09106	10.8
321.09912	3.3
322.10715	14.7
334.10699	8.8
335.11267	3.4
336.08652	1.3
336.11923	4.8
364.08075	6.0
477.14484	0.9
518.64185	0.7
613.16516	3.4
625.16302	1.3
627.17798	7.7
639.16943	0.9
641.15790	1.5
655.17065	8.6
671.20178	100.0
671.37762	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36719	0.9
62.62207	1.2
67.58169	1.0
68.00894	0.9
70.66274	0.8
71.44942	1.0
74.04203	1.0
135.11615	1.2
294.11166	11.9
306.07535	1.4
307.12112	4.9
320.09302	6.9
321.09915	1.9
322.10577	4.7
323.11307	1.5
336.12292	8.5
440.11060	1.3
479.61191	1.2
570.13733	1.3
582.14301	1.7
597.13074	1.4
598.13354	10.0
611.11505	4.8
612.15076	8.5
613.15747	6.4
626.13220	14.7
641.15509	50.8
651.42798	1.1
656.07239	1.3
656.17242	8.3
671.20172	100.0
671.32983	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32893	0.5
55.42265	0.5
58.06602	1.3
73.39574	0.5
79.67590	0.5
87.53111	0.5
92.21568	0.8
112.75264	0.6
195.63426	0.5
234.28111	0.6
235.05150	0.6
239.77002	0.6
248.10849	0.8
275.09378	12.7
276.10172	12.5
278.08084	1.1
291.09015	0.7
294.07410	0.6
302.08203	0.7
304.09671	95.0
305.06522	0.7
306.07852	0.6
306.11334	2.3
307.08374	13.6
307.11578	0.8
308.09253	0.6
318.07617	0.9
319.08356	4.3
320.09094	7.9
321.09744	2.8
324.12506	0.8
334.10736	5.6
335.11197	4.2
336.12265	0.9
340.64401	0.6
443.73840	0.6
466.60492	0.7
480.31226	0.7
597.17426	0.7
609.16144	0.7
613.16040	5.9
625.16101	9.4
627.17682	2.8
639.17102	1.0
641.15521	8.4
655.17200	3.8
671.20190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28034	0.5
53.74101	0.5
54.42714	0.5
59.87715	0.5
81.92754	0.5
89.96234	0.6
99.30486	0.6
108.20592	0.6
123.25223	0.6
129.73157	0.6
148.80746	0.6
181.22507	0.6
230.56071	0.6
250.08684	3.5
274.08585	2.3
274.27393	0.6
275.09363	10.9
275.12030	0.8
276.10120	10.3
278.08240	3.4
279.08878	11.6
291.09088	1.4
294.08136	1.0
294.11240	55.2
304.09659	70.3
306.11313	2.2
307.08414	11.2
320.09085	11.8
321.09998	1.3
322.10730	13.7
334.10818	1.0
351.14972	1.4
369.15915	1.1
445.21985	0.8
463.23074	1.5
477.14520	1.0
488.14523	0.7
613.16492	3.4
625.15808	1.1
627.17639	8.2
639.17603	1.3
641.15485	2.7
653.28973	0.8
655.17139	9.7
671.20209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01894	0.4
57.24490	0.5
79.50805	0.5
80.33568	0.5
82.35283	0.5
83.17413	0.5
92.88956	0.4
113.03202	0.6
248.10745	0.7
275.09467	0.7
276.10202	9.8
277.11078	1.2
279.09009	0.8
288.10275	1.9
290.08209	1.0
291.09164	0.7
291.12488	8.8
292.10211	0.9
292.13416	6.0
294.11353	0.8
304.09647	6.7
305.10455	10.8
307.08539	1.1
308.09131	0.6
320.12781	46.8
323.11523	6.4
334.10913	2.6
336.12598	0.5
350.06561	0.8
369.15344	0.6
408.38049	0.6
610.17102	0.9
613.16138	6.0
627.17523	13.3
639.17517	8.0
641.15601	13.2
653.15955	0.6
655.05774	0.6
655.17078	19.1
656.17810	4.4
671.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57969	0.2
59.91990	0.2
61.81968	0.2
68.14970	0.2
70.44640	0.2
98.44060	0.3
171.74675	0.3
224.93286	0.3
278.79132	0.3
292.09634	6.6
294.11340	2.8
304.09656	1.1
306.07611	2.2
307.12146	0.7
309.32843	0.3
320.09213	6.6
321.09940	21.7
322.10623	0.4
334.10718	1.2
336.12271	100.0
375.99875	0.3
671.23950	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64534	0.3
63.94419	0.3
74.84026	0.4
74.92912	0.4
87.53964	0.4
91.93763	0.4
98.82787	0.4
99.04467	0.5
103.09771	0.4
137.05977	0.5
147.04398	0.7
188.74533	0.4
292.09637	7.3
294.11169	4.3
304.09518	0.6
306.07599	2.4
307.12085	1.4
320.09125	7.7
321.06097	0.9
321.09940	23.8
334.10782	0.7
336.12296	100.0
390.68747	0.4
479.15732	0.7
621.08563	0.4
635.07513	0.5
671.23950	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64534	0.3
63.94419	0.3
74.84026	0.4
74.92912	0.4
87.53964	0.4
91.93763	0.4
98.82787	0.4
99.04467	0.5
103.09771	0.4
137.05977	0.5
147.04398	0.7
188.74533	0.4
292.09637	7.3
294.11169	4.3
304.09518	0.6
306.07599	2.4
307.12085	1.4
320.09125	7.7
321.06097	0.9
321.09940	23.8
334.10782	0.7
336.12296	100.0
390.68747	0.4
479.15732	0.7
621.08563	0.4
635.07513	0.5
671.23950	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38377	0.2
59.96527	0.2
61.97207	0.2
63.74712	0.3
91.18783	0.3
124.20616	0.3
130.42123	0.3
136.54294	0.3
172.45421	0.3
190.04971	2.7
209.95982	0.3
245.34692	0.3
277.10391	0.4
290.08102	5.9
292.06024	3.1
302.08148	1.5
304.06036	5.2
304.09647	2.6
305.06937	0.4
305.10031	3.2
306.04446	0.3
306.07498	2.5
306.10455	1.4
307.08270	0.6
308.08807	0.6
318.07590	7.1
319.08374	37.5
320.05508	4.7
320.09235	1.1
321.06314	7.1
321.09637	0.7
334.07181	6.4
334.10693	100.0
335.07510	0.5
336.08643	27.0
336.12170	1.6
349.09412	3.8
350.10275	3.1
400.28241	0.3
456.10434	0.4
498.11307	0.3
517.09045	0.3
671.18286	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18007	0.3
93.25654	0.4
131.30994	0.4
169.38542	0.4
174.05463	4.1
187.06216	0.4
188.03362	0.4
269.52264	0.4
276.06375	0.4
290.08072	5.2
302.08105	1.9
304.06039	4.6
304.09631	0.6
306.07455	0.6
318.07623	7.8
319.08380	33.2
320.05731	0.5
320.09018	2.7
321.09683	0.4
322.07196	0.4
322.10718	1.4
334.10730	100.0
336.08661	0.6
336.12292	2.3
453.18283	0.5
454.09021	0.7
465.11710	0.5
468.10901	6.7
483.12958	2.7
484.13892	1.7
607.14337	0.4
611.11481	0.4
623.14447	0.7
626.13416	1.5
630.22968	0.5
641.15503	4.7
671.20227	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44182	0.1
68.16419	0.1
93.09686	0.1
99.66592	0.1
103.81704	0.1
105.61775	0.1
159.03183	0.1
171.13809	0.1
291.09030	0.1
292.09576	1.5
293.10489	0.3
294.11121	0.1
306.07770	0.1
308.12714	0.9
320.09143	6.3
321.09924	4.0
322.10632	0.3
334.10593	1.2
336.12265	100.0
352.11716	0.4
470.42474	0.1
500.78296	0.1
671.24054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93547	0.2
53.94933	0.3
56.60820	0.2
62.25304	0.2
63.48872	0.2
69.53732	0.2
73.06627	0.2
127.18996	0.2
173.68881	0.2
203.91443	0.3
275.09473	0.3
282.69650	0.3
292.09604	7.3
304.09723	1.1
306.07553	1.9
313.61292	0.2
320.09167	7.2
321.09940	23.8
334.10818	1.5
336.12280	100.0
410.62823	0.3
410.71008	0.3
536.65381	0.3
599.79218	0.3
671.23688	2.8
689.95300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09452	0.2
52.05526	0.3
52.59574	0.2
54.94491	0.2
62.29317	0.3
77.76406	0.3
92.21584	0.5
107.35080	0.3
111.59097	0.3
213.99115	0.3
292.09674	7.1
294.11108	0.5
304.09683	1.4
306.07599	1.9
307.12170	0.3
320.09174	7.2
321.09946	22.2
334.10815	0.6
336.12274	100.0
519.55048	0.3
616.07593	0.4
671.24097	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78837	0.4
59.68559	0.5
159.94339	0.6
209.68938	0.6
231.67441	0.5
278.08133	0.8
290.08139	4.0
292.06067	2.4
292.09668	8.0
294.11151	4.1
303.47540	0.6
304.06042	3.1
304.09409	1.1
305.10446	0.6
306.07501	3.5
307.04889	0.6
307.08359	1.0
307.12204	0.5
318.07617	4.3
319.08392	16.3
320.09161	100.0
321.06259	4.3
321.09921	12.2
322.10590	2.6
330.56827	0.6
334.10715	55.9
335.11212	1.1
336.08588	23.8
336.12286	49.3
458.15598	0.7
514.20319	0.6
609.16718	1.1
611.14441	4.3
638.68463	0.6
641.19250	12.7
671.22284	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56818	0.3
51.64554	0.3
63.07681	0.3
67.42504	0.3
93.50649	0.3
290.08163	5.0
292.06006	6.5
302.08124	1.5
304.06015	4.5
304.09628	2.2
305.09943	1.8
306.07330	0.6
306.10468	1.9
318.07593	6.3
319.08392	33.5
320.05511	6.8
320.09189	3.3
321.06366	12.9
321.09912	2.1
322.10629	0.6
334.10718	100.0
336.08661	56.6
336.12228	4.9
409.12820	0.5
611.14532	1.0
635.22345	0.4
641.19073	4.2
671.20227	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26963	0.5
55.05511	0.4
58.97151	0.4
70.96921	0.5
130.36639	0.5
138.08237	0.5
139.66107	0.6
177.93745	0.5
177.95511	0.5
182.25552	0.6
210.18433	0.6
212.54401	0.6
292.09570	6.1
304.09546	0.8
306.07556	1.2
318.07593	0.7
320.09088	7.0
321.09952	23.8
334.10675	2.5
336.12274	100.0
514.39795	0.7
605.50208	0.6
671.23395	2.2
671.34100	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26691	0.5
56.16377	0.5
57.03442	1.1
61.02931	9.1
63.46091	0.4
64.01146	0.4
65.88318	0.4
67.05513	0.6
69.03431	3.2
70.06602	0.8
72.08206	0.4
73.02911	6.5
74.44566	0.4
80.78442	0.4
81.03427	8.7
81.04534	1.8
83.04977	0.6
83.08612	4.0
85.02905	12.5
87.04424	0.6
91.03951	9.3
91.05476	0.6
95.04974	2.9
97.02897	8.9
99.04460	1.8
101.02380	0.6
107.05050	0.6
109.02897	0.6
111.08087	2.5
119.08624	0.8
127.03857	4.5
145.05013	2.9
147.04449	2.9
147.08199	0.5
147.11710	1.0
148.04771	0.7
149.09634	0.7
157.10193	2.7
175.11133	3.9
192.13913	1.2
193.12227	29.9
194.02980	0.5
207.09799	0.6
210.14960	3.1
211.13310	3.6
219.14888	8.4
237.16039	1.3
267.15909	9.6
285.17200	2.3
311.19690	5.5
329.20694	20.1
347.21606	7.0
491.26172	3.9
509.27332	1.0
639.90936	0.6
653.31500	6.6
671.32349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71921	0.7
59.83289	0.7
69.39742	0.8
81.07089	0.7
95.08636	1.0
108.50120	0.9
112.52026	0.9
119.08545	1.1
320.09198	1.3
321.09909	1.0
325.05167	1.1
336.12250	8.5
337.12900	1.2
347.09647	3.7
509.27191	17.3
671.32526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28157	1.1
62.38150	1.4
75.05978	1.2
81.07109	1.3
83.06131	1.2
83.82290	1.3
95.08597	1.5
139.11153	1.4
150.52632	1.1
162.08742	1.3
167.60655	1.3
270.93619	1.3
334.10703	1.7
671.37677	100.0
684.51843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01098	2.7
67.56397	3.5
73.25125	3.4
81.92478	3.2
87.71481	3.5
95.08586	4.6
139.00449	3.8
205.27365	3.7
494.12177	4.0
573.48694	4.9
671.48529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30980	0.6
53.71582	0.4
54.21951	0.4
55.86782	0.4
71.51414	0.4
85.84959	0.4
161.37608	0.5
242.21097	0.5
281.63666	0.5
290.08078	4.0
292.09634	11.9
302.07971	0.5
304.05981	3.8
304.09729	2.5
306.07559	2.8
307.08188	0.5
318.07523	5.0
319.08350	19.7
320.09103	16.5
321.09885	29.6
322.09924	2.4
334.10712	43.7
335.10980	0.9
336.12271	100.0
653.65771	0.6
672.20557	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	1.9
63.95639	0.4
66.73283	0.4
70.06574	0.5
82.25230	0.4
85.02917	0.9
86.57915	0.4
92.64123	0.4
97.02850	0.7
99.54272	0.4
137.05984	0.8
151.07535	4.8
152.07037	0.5
153.80562	0.4
165.09140	2.0
281.10535	1.7
282.11337	3.4
283.12076	0.9
296.12872	2.2
297.13571	4.2
298.10825	2.5
312.12122	1.7
420.14371	1.7
434.15988	12.8
448.13919	1.6
449.14606	6.6
464.17014	19.2
494.14404	11.3
495.15207	32.6
510.17578	48.1
626.22314	2.3
672.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49078	0.3
54.01696	0.3
55.31847	0.3
74.56712	0.3
84.74920	0.3
134.65561	0.4
151.30238	0.4
276.06528	0.5
290.08084	8.2
302.08011	2.5
304.05991	7.5
318.07596	10.0
319.08383	41.2
320.09219	1.7
334.10712	100.0
335.11209	0.5
336.12265	1.4
490.32010	0.4
654.18866	0.4
672.19794	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56118	0.5
55.01879	0.6
55.37268	0.5
58.06606	19.8
60.04522	1.1
61.02912	0.6
69.03428	3.1
72.08137	0.6
81.03436	0.7
85.02909	4.8
87.04420	0.7
90.23120	0.6
97.01605	0.6
97.02912	1.6
109.02894	4.4
121.11925	0.6
126.03159	1.4
127.03933	0.9
128.08153	0.6
141.05457	10.5
169.04955	47.3
187.85213	0.6
192.10210	11.2
235.07603	0.7
237.09158	1.0
238.06131	0.9
252.07841	1.4
253.08607	0.8
263.07092	3.3
265.08588	5.1
265.47574	0.6
267.06744	2.6
267.10275	1.5
277.08621	1.4
279.06528	13.4
281.08087	29.0
281.11102	1.1
282.08865	32.8
295.09698	0.8
296.06964	4.4
296.10382	33.6
297.11249	2.8
309.11304	1.5
311.09027	6.5
312.59909	0.6
342.17102	0.7
389.14044	1.0
405.13647	2.2
433.12689	5.9
450.13416	1.1
492.31754	0.9
507.21930	0.6
513.77081	0.6
555.65295	0.7
627.20349	0.9
672.26508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56118	0.5
55.01879	0.6
55.37268	0.5
58.06606	19.8
60.04522	1.1
61.02912	0.6
69.03428	3.1
72.08137	0.6
81.03436	0.7
85.02909	4.8
87.04420	0.7
90.23120	0.6
97.01605	0.6
97.02912	1.6
109.02894	4.4
121.11925	0.6
126.03159	1.4
127.03933	0.9
128.08153	0.6
141.05457	10.5
169.04955	47.3
187.85213	0.6
192.10210	11.2
235.07603	0.7
237.09158	1.0
238.06131	0.9
252.07841	1.4
253.08607	0.8
263.07092	3.3
265.08588	5.1
265.47574	0.6
267.06744	2.6
267.10275	1.5
277.08621	1.4
279.06528	13.4
281.08087	29.0
281.11102	1.1
282.08865	32.8
295.09698	0.8
296.06964	4.4
296.10382	33.6
297.11249	2.8
309.11304	1.5
311.09027	6.5
312.59909	0.6
342.17102	0.7
389.14044	1.0
405.13647	2.2
433.12689	5.9
450.13416	1.1
492.31754	0.9
507.21930	0.6
513.77081	0.6
555.65295	0.7
627.20349	0.9
672.26508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
65.03941	0.7
70.06607	1.2
85.55231	0.6
89.03900	0.8
91.05486	1.5
93.07043	4.0
95.04959	2.7
99.04460	0.7
103.05504	1.1
107.04950	8.2
108.02775	0.6
112.43130	0.7
117.03367	6.2
119.04999	2.3
121.06496	62.9
122.06029	18.6
122.06871	0.8
126.03890	0.7
126.05559	1.4
137.05997	1.5
145.02840	60.3
147.04428	6.1
148.07623	3.9
149.06003	5.3
161.06026	1.0
161.50717	0.7
175.03925	1.4
177.05453	100.0
191.02232	0.9
201.05469	1.1
209.08170	1.3
246.11365	3.5
264.12418	0.9
310.89661	0.8
325.10794	0.8
337.11026	1.0
350.10291	1.5
355.12024	1.7
373.12979	2.8
476.28815	0.8
588.24597	0.7
636.24390	21.4
654.25446	20.1
671.88275	0.8
672.26624	37.6
672.38135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2644
Annotation	TAN 1120
Peak:m/z	Relative Intensity
55.01881	0.6
65.03941	0.7
70.06607	1.2
85.55231	0.6
89.03900	0.8
91.05486	1.5
93.07043	4.0
95.04959	2.7
99.04460	0.7
103.05504	1.1
107.04950	8.2
108.02775	0.6
112.43130	0.7
117.03367	6.2
119.04999	2.3
121.06496	62.9
122.06029	18.6
122.06871	0.8
126.03890	0.7
126.05559	1.4
137.05997	1.5
145.02840	60.3
147.04428	6.1
148.07623	3.9
149.06003	5.3
161.06026	1.0
161.50717	0.7
175.03925	1.4
177.05453	100.0
191.02232	0.9
201.05469	1.1
209.08170	1.3
246.11365	3.5
264.12418	0.9
310.89661	0.8
325.10794	0.8
337.11026	1.0
350.10291	1.5
355.12024	1.7
373.12979	2.8
476.28815	0.8
588.24597	0.7
636.24390	21.4
654.25446	20.1
671.88275	0.8
672.26624	37.6
672.38135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62077	0.4
69.03300	0.5
89.42917	0.5
91.05473	2.2
93.07016	0.5
95.04371	0.5
95.04975	1.2
117.06971	0.5
119.04943	1.0
121.06509	24.0
131.04968	0.7
136.07567	1.1
137.05986	25.3
138.09116	6.3
151.03876	2.5
151.07542	7.3
164.07063	3.2
171.83398	0.5
181.06485	2.8
187.07507	1.1
189.09087	2.2
195.04443	2.2
199.07556	1.0
201.05919	0.5
201.09085	4.6
211.07497	0.6
212.04709	1.1
213.09113	5.5
219.10144	6.1
227.06976	0.9
229.05014	2.2
229.08585	3.6
244.07207	2.0
245.09575	0.8
259.09641	100.0
273.08844	0.8
274.09921	0.8
275.10675	0.8
277.08527	2.1
277.12210	4.3
279.13760	0.9
288.59766	0.5
289.12155	0.7
291.10168	8.8
297.11218	0.6
303.10007	2.6
305.11624	4.8
307.09549	0.9
308.10336	3.3
309.11304	1.3
314.09360	0.6
317.11673	1.2
319.08524	1.3
320.09207	3.2
321.10974	2.7
322.11771	0.7
323.12656	2.8
334.10812	5.5
335.12589	2.6
336.12393	0.9
337.14249	2.4
340.12708	0.8
341.13791	1.2
349.14410	1.2
351.11990	0.6
352.13272	0.9
353.13831	3.1
355.15311	4.9
363.12427	0.9
367.15363	24.2
381.13577	1.0
384.17984	14.3
385.16385	2.4
426.67224	0.6
457.16528	0.7
491.20709	0.7
505.18915	0.6
517.18542	2.8
518.21411	4.5
530.21539	3.4
642.26941	30.5
654.27209	7.9
672.19006	2.9
672.27740	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.84359	1.4
83.57809	1.5
117.70390	1.6
121.06525	18.3
137.06006	21.9
138.09132	2.9
141.22676	1.4
148.49612	1.4
151.07547	7.7
164.07053	2.3
201.09120	2.4
209.01604	1.7
213.09010	3.7
219.10127	2.8
229.08525	3.4
231.10216	2.0
244.07219	2.4
259.09647	100.0
277.08716	1.6
279.69348	1.8
291.10110	6.4
293.11731	1.8
303.10291	2.3
305.11404	2.0
319.08350	10.0
320.09213	9.3
321.10208	2.4
334.10721	23.5
335.11365	2.4
336.12213	10.1
355.15292	2.5
367.15320	3.5
384.18121	14.7
642.26746	19.2
654.26483	9.0
654.79779	2.1
672.17749	12.2
672.29620	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22134	2.6
69.48069	2.9
71.93942	3.0
77.74960	3.6
91.05469	4.1
94.32791	3.6
104.96605	2.9
105.26967	2.9
107.92889	3.1
121.06493	49.6
129.07004	5.6
131.08566	5.1
133.02878	20.9
135.54837	3.0
136.07602	30.0
136.81256	3.2
137.06013	63.6
149.05899	4.2
156.20665	3.4
159.08051	12.7
163.20210	3.6
164.07069	6.1
171.08098	3.7
175.07538	7.4
187.07579	15.8
189.09111	7.9
199.07515	4.6
213.09090	19.9
219.10216	7.0
243.10069	4.6
290.08084	4.2
307.13330	4.1
311.09189	8.0
318.07523	14.5
319.08408	35.7
320.09207	39.1
334.10785	90.1
335.11139	5.7
336.12314	15.5
348.09903	4.5
351.12289	14.0
363.12286	63.0
365.14059	4.6
367.15363	20.4
375.12268	4.6
381.13205	31.1
393.13318	21.8
509.26465	3.6
518.21771	43.4
530.21893	54.0
548.22675	3.9
672.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01732	0.3
58.27138	0.3
67.05534	0.3
79.48298	0.3
82.27139	0.3
122.72697	0.3
290.08151	0.4
292.09695	1.9
318.07593	0.6
319.08301	1.8
320.09167	100.0
334.10663	3.6
336.12167	1.3
340.44427	0.4
612.19525	0.4
672.18677	3.0
672.31012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42505	1.5
54.11156	1.8
67.05515	2.2
74.60835	2.0
79.33660	2.2
80.69701	1.8
81.07049	2.4
91.96068	2.1
92.82914	2.1
93.07083	3.2
96.62284	1.8
149.05978	2.8
157.06528	2.1
175.06360	2.9
273.26556	2.1
292.09439	2.5
319.08789	2.2
320.09158	100.0
322.10437	4.1
336.12228	3.9
337.12604	4.1
358.20117	8.5
360.21628	7.9
370.10797	40.9
373.09393	8.3
428.78561	2.4
436.82571	2.5
472.31155	2.9
541.24731	4.2
558.24963	35.9
672.35211	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80401	1.1
75.64979	1.0
95.08585	1.8
132.18013	1.3
169.16354	1.1
173.84738	1.2
306.27826	1.7
311.18576	1.3
320.09152	100.0
358.64319	1.5
409.85376	1.4
566.97559	1.3
672.35248	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.4
57.07030	3.3
61.02877	0.6
67.05457	0.8
69.07024	0.7
71.08571	3.1
73.02862	0.4
76.36362	0.3
81.06991	1.7
83.08600	1.0
85.02846	1.8
85.10119	2.3
91.03888	1.5
92.20966	0.7
93.06987	0.4
95.08604	3.1
97.02824	0.6
97.10133	0.7
99.04403	0.6
109.10159	2.4
122.77944	0.3
123.11646	1.3
127.03824	0.6
148.40587	0.4
158.64108	0.3
163.05937	0.6
199.96352	0.3
232.24030	0.3
239.23656	1.3
257.24744	0.6
290.08041	0.5
292.09753	3.0
313.27393	6.5
318.07553	0.5
319.08243	0.5
320.09161	100.0
322.10501	0.4
322.92792	0.4
331.28452	5.8
334.10495	2.5
336.12204	3.3
614.16040	0.4
626.28302	0.4
642.15717	0.8
672.21136	3.0
672.35321	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40540	0.4
71.08601	0.4
91.03891	0.5
95.08553	1.1
96.97959	0.5
112.45171	0.5
242.24547	0.6
281.89185	0.5
290.26874	6.2
292.09601	2.8
313.27264	0.8
318.07529	0.8
320.09167	100.0
331.28418	1.2
334.10696	1.1
336.12390	1.1
338.14032	1.0
358.76968	0.6
672.35382	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79859	0.1
53.50819	0.1
58.07094	0.1
79.05469	0.2
111.14333	0.1
130.90282	0.1
179.84174	0.2
193.11554	0.2
250.83835	0.2
292.09521	1.8
306.28052	0.2
315.42758	0.2
320.09158	100.0
322.10510	0.5
323.11255	1.2
330.11276	0.2
336.12167	0.2
338.13803	2.8
400.60635	0.2
590.63910	0.2
672.35358	27.2
703.11792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.4
57.07030	3.3
61.02877	0.6
67.05457	0.8
69.07024	0.7
71.08571	3.1
73.02862	0.4
76.36362	0.3
81.06991	1.7
83.08600	1.0
85.02846	1.8
85.10119	2.3
91.03888	1.5
92.20966	0.7
93.06987	0.4
95.08604	3.1
97.02824	0.6
97.10133	0.7
99.04403	0.6
109.10159	2.4
122.77944	0.3
123.11646	1.3
127.03824	0.6
148.40587	0.4
158.64108	0.3
163.05937	0.6
199.96352	0.3
232.24030	0.3
239.23656	1.3
257.24744	0.6
290.08041	0.5
292.09753	3.0
313.27393	6.5
318.07553	0.5
319.08243	0.5
320.09161	100.0
322.10501	0.4
322.92792	0.4
331.28452	5.8
334.10495	2.5
336.12204	3.3
614.16040	0.4
626.28302	0.4
642.15717	0.8
672.21136	3.0
672.35321	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.05503	6.0
57.03453	3.5
58.90624	2.8
59.54900	2.7
67.05501	20.8
69.03423	5.9
69.07066	14.8
71.52857	3.0
73.02912	19.5
79.05506	29.5
81.03407	26.5
81.07063	16.8
81.36388	3.4
83.04906	4.8
85.02914	24.6
86.50266	3.1
87.04427	3.8
91.05473	20.4
93.07040	29.5
95.04992	4.3
95.08584	20.7
97.02898	7.0
99.04449	100.0
105.07014	19.8
107.04985	4.8
107.08591	13.4
109.06466	4.4
109.10155	8.0
111.04423	3.7
117.06996	14.4
119.08571	19.2
121.06535	4.2
121.10134	13.6
123.90553	3.3
127.03899	6.6
129.07016	6.4
131.08502	11.9
133.10133	8.6
135.11685	3.6
141.05440	5.4
143.08562	6.9
145.10115	22.3
147.08029	4.0
147.11711	5.6
157.10107	13.7
159.11729	6.8
169.10136	5.1
171.11644	5.1
173.13260	4.9
185.13152	5.6
190.00040	3.4
217.15729	3.5
243.08611	6.4
259.20703	4.7
320.09018	15.2
321.09576	5.8
336.12344	17.4
465.26187	4.7
483.27319	8.2
501.28290	15.0
519.29224	5.1
672.33984	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09190	1.8
53.03956	10.5
55.01859	3.4
55.05504	5.7
57.03444	12.4
57.07088	34.3
61.02922	9.3
65.03927	2.6
67.05508	30.0
68.99709	2.0
69.03430	16.8
69.07069	15.0
70.11979	2.2
70.71557	2.3
71.05000	3.6
71.08637	34.7
73.02916	18.3
75.04494	3.9
79.05499	18.8
81.03422	30.3
81.07056	37.9
83.05003	2.9
83.08635	24.1
85.02910	41.7
85.06501	3.3
85.10195	19.2
91.03954	14.7
91.05476	24.6
93.05515	10.5
93.07049	27.3
95.04942	4.1
95.08609	46.4
97.02893	23.5
97.06562	2.9
97.10183	6.0
99.04458	82.0
103.04008	3.1
105.07027	22.2
107.04977	5.8
107.08590	10.3
109.02877	12.3
109.06549	4.6
109.10142	23.9
115.03906	2.9
117.07021	13.5
119.08584	14.9
121.06513	5.8
121.10137	12.4
123.11726	11.4
127.03906	24.3
127.41758	2.3
129.06993	9.7
131.08548	5.9
133.10150	15.4
135.08105	3.3
137.13248	3.4
143.08578	4.6
145.04979	11.0
145.10136	12.3
147.11684	5.8
149.13304	2.4
155.08505	3.0
157.10162	4.1
159.11685	10.6
163.06020	6.0
169.10168	3.7
171.08051	2.5
171.11691	9.4
173.13301	3.4
183.11758	2.7
185.13258	3.2
235.16844	2.9
239.23697	5.1
243.08582	4.3
255.10768	5.1
275.20068	5.3
320.09109	3.2
336.12329	14.4
344.95395	3.0
360.66507	2.6
383.27951	3.9
401.28958	100.0
465.25943	5.9
483.27347	14.9
501.28320	9.8
519.29279	3.8
565.18805	2.7
656.74164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59124	1.7
51.25180	1.5
53.03949	8.1
55.05510	12.7
57.03440	4.0
59.04489	1.6
64.76215	1.6
67.03090	1.5
67.05505	15.8
69.03425	10.9
69.07072	8.8
71.04987	3.4
73.02909	12.0
79.05478	16.6
81.03098	1.6
81.03441	26.9
81.07056	20.1
83.04974	8.8
83.08638	3.1
84.47307	1.7
85.02441	2.0
85.02884	13.7
87.04436	2.1
89.96002	1.7
91.05482	15.3
93.07049	25.9
95.04959	4.5
95.08600	15.7
97.02884	9.1
97.06539	3.9
99.04453	100.0
105.07030	19.6
107.04941	3.8
107.08588	13.9
109.02906	3.3
109.10148	4.8
111.04450	3.7
117.07010	14.4
119.08577	18.5
121.06528	3.7
121.10161	13.5
122.57702	1.8
123.08082	3.7
125.09657	1.9
127.03927	10.5
129.06976	10.9
131.08546	16.6
133.10101	20.1
135.08058	2.3
135.11697	4.9
141.05457	9.7
142.34428	2.0
143.08636	6.8
145.06569	2.2
145.10144	17.4
147.11685	12.3
149.09659	3.7
149.13307	2.7
155.08508	3.1
157.10107	12.6
159.08124	3.0
159.11732	10.4
161.09575	2.6
161.13264	2.4
167.08549	2.8
169.10143	4.1
171.08038	2.0
171.11700	9.9
173.09618	2.8
173.13258	4.1
181.10168	3.3
183.08081	3.3
183.11674	3.4
185.09680	7.6
185.13300	8.4
187.11263	2.2
189.16068	2.0
195.11786	2.6
197.13318	4.1
199.14748	3.1
203.10567	2.6
205.89818	2.1
209.13327	3.6
211.11177	2.6
211.14859	3.2
243.08609	11.1
259.20615	2.7
269.19058	2.0
271.20413	2.7
275.20053	4.7
301.21387	4.0
334.10803	2.0
336.12222	11.6
349.21680	7.6
367.22610	9.3
385.23709	7.5
403.25223	2.7
417.37582	2.3
465.26624	15.7
474.07532	2.1
477.25229	2.8
483.27512	43.9
501.28445	38.7
519.29211	11.8
654.26355	9.8
672.30505	9.4
672.42114	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.6
53.03890	0.3
55.05521	3.3
57.03444	5.2
57.07079	46.6
58.18457	0.3
60.88768	0.3
61.02930	13.8
61.03222	0.6
61.09280	0.3
67.05506	11.3
69.03384	1.9
69.07068	11.9
71.04971	0.4
71.08630	44.0
71.08993	1.4
73.02918	4.5
75.04477	2.6
79.05422	0.6
81.03394	0.8
81.07057	23.4
83.08620	20.2
85.02902	20.4
85.06512	0.7
85.10179	35.7
87.04433	0.5
89.05978	2.2
90.21229	0.3
91.03951	18.9
93.07011	0.6
95.08600	39.3
97.02887	8.7
97.09609	0.4
97.10169	10.4
99.04400	1.5
99.08047	0.6
99.11721	3.2
103.07543	1.7
105.06955	0.3
107.08521	0.4
109.02809	0.6
109.10154	22.5
111.11727	2.5
113.13284	0.5
115.03894	0.8
121.10083	0.5
122.05964	0.8
123.11698	10.1
125.13205	2.1
127.03918	6.7
135.11681	0.5
137.13251	4.3
141.31461	0.4
145.04959	7.2
148.42264	0.4
151.14760	1.8
163.06003	11.7
165.16389	0.5
186.12106	0.3
221.22572	1.6
239.23666	14.0
245.35515	0.4
257.24774	6.0
268.37964	0.3
275.25824	0.6
309.04135	0.4
313.27344	87.8
325.11194	0.7
331.28397	100.0
336.12360	1.9
401.28793	0.8
475.32520	5.6
533.31934	0.4
626.25342	0.3
637.37671	2.4
642.16644	0.5
672.20667	0.7
698.32288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28826	1.2
55.05522	1.4
57.03445	10.9
57.07084	21.7
61.02932	18.4
67.05511	2.6
69.03413	10.8
69.07066	2.4
71.08639	18.8
73.02914	2.8
75.04478	7.4
76.46949	1.2
81.03442	13.1
81.07065	11.5
83.08623	8.3
83.26511	1.3
85.02911	100.0
85.10174	15.4
85.11062	1.3
91.03960	25.5
93.05521	15.6
95.08603	16.1
97.02892	38.2
97.10169	6.4
98.44447	1.2
99.04452	4.6
103.03980	1.3
109.02882	13.4
109.10152	11.9
123.11700	2.9
127.03905	22.3
145.04958	17.2
163.06021	15.9
199.58861	1.4
201.84048	1.5
239.23663	2.1
255.10701	10.4
257.24753	1.5
313.27597	1.5
320.09116	15.5
331.28583	1.8
335.18817	1.9
336.12238	1.7
383.27875	9.7
401.28976	64.0
475.32739	4.8
570.80865	1.5
672.34143	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69504	0.8
55.05519	0.9
56.73398	1.0
57.03445	1.8
57.06792	1.1
57.07082	29.8
58.18792	0.9
61.02935	10.6
61.20769	1.1
67.05499	8.0
69.03468	1.0
69.07070	5.5
71.08634	31.0
73.02909	2.6
81.07054	14.4
83.08628	14.9
85.02905	16.9
85.10179	21.0
89.01032	1.1
91.03950	16.2
95.08611	29.7
97.02896	7.3
97.10170	5.6
109.10153	17.6
111.11748	1.5
123.11723	6.0
127.03878	5.0
137.13260	2.5
145.04951	6.5
145.34894	1.2
158.86479	1.1
163.05994	7.9
239.23663	8.7
242.24803	4.3
257.24600	1.7
273.47025	1.2
290.26947	15.0
292.09830	2.3
313.23645	1.5
313.27353	51.2
320.09161	100.0
331.28427	71.1
336.12238	4.8
369.11728	1.1
397.07111	1.2
511.14270	1.3
657.29236	1.5
672.35413	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.0
57.03451	11.0
67.05507	19.5
69.07082	21.9
69.26321	8.1
71.08624	50.9
81.07055	41.5
83.08641	34.9
93.07035	18.9
95.08596	46.1
97.06577	10.7
99.08079	48.3
100.53880	9.4
109.10170	32.1
117.05496	46.8
121.10137	20.2
135.11690	11.1
137.13338	10.9
160.44926	8.4
169.11670	10.3
207.21207	8.6
251.51041	9.3
271.22693	13.8
294.11282	84.2
322.10648	34.7
324.12476	64.1
367.25031	9.9
400.43649	9.3
544.28333	11.4
595.46002	12.8
637.46545	100.0
672.47931	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.1
55.01891	1.1
55.05516	10.7
55.14785	0.8
57.03436	7.9
57.07087	11.9
59.74490	0.8
61.02929	1.2
61.82574	0.7
61.85754	0.7
67.05512	26.0
69.07074	41.1
71.04984	6.6
71.08634	58.7
76.81354	0.9
79.05495	8.6
81.06612	1.9
81.07063	36.3
83.04976	1.6
83.08624	25.9
84.49739	0.9
85.06532	8.9
85.10184	1.4
87.08094	1.1
90.39556	0.8
91.05495	5.2
93.07042	16.9
95.08606	40.1
97.06535	11.3
97.10165	20.1
99.08099	57.8
105.07045	1.5
107.08616	8.8
109.10158	26.9
111.08083	1.8
111.11685	7.7
113.09618	1.2
115.07497	0.9
117.05489	36.3
119.08577	7.4
121.10135	23.5
123.11709	17.4
125.09688	1.1
125.13281	1.6
127.11185	6.3
128.53976	1.0
133.10110	10.4
135.11700	18.4
137.09647	2.0
137.13254	8.6
139.11191	1.5
141.09119	2.2
145.10068	1.5
147.11668	8.9
149.13271	4.6
151.11218	3.3
151.14832	4.5
153.12697	7.5
156.02307	0.9
161.13286	7.2
163.14624	0.8
165.12735	1.3
173.13158	0.9
175.14804	3.9
179.14235	1.1
189.16368	0.9
193.15967	1.0
207.21126	6.3
217.14227	1.4
217.19485	7.0
225.22134	1.8
235.20598	1.5
251.19987	8.7
253.21582	1.4
256.45825	1.0
271.22668	41.6
325.23840	2.3
327.25311	1.3
367.24750	19.5
369.26352	18.2
385.25842	12.2
521.41815	2.0
574.48517	1.3
577.44757	2.0
595.45673	29.1
603.18683	1.2
625.67389	1.0
637.46796	100.0
672.48273	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37297	1.2
56.28155	0.9
59.60521	0.9
60.26542	0.9
60.82283	1.0
67.05513	1.3
70.70422	0.9
81.07063	2.1
92.21426	1.3
93.07068	1.1
95.08650	1.3
109.10157	1.3
181.42458	1.2
221.16481	1.4
223.42276	1.3
235.17854	1.7
265.64508	1.3
391.25677	50.0
443.36234	2.3
457.37643	8.0
471.39456	1.5
485.40903	13.0
499.42435	6.4
650.59320	1.3
672.52942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54494	0.3
55.72328	0.3
56.05033	2.2
57.07072	2.6
58.06609	2.7
60.04516	0.4
62.16780	0.3
67.05503	0.4
69.07088	0.3
71.08620	1.8
73.84565	0.3
74.06081	5.6
78.17894	0.3
83.08610	0.5
85.10172	1.2
86.06059	1.2
88.07634	2.8
91.03941	0.4
95.08571	1.2
118.08677	2.5
122.08143	6.1
142.78177	0.3
154.12245	2.6
171.14983	0.4
192.36494	0.3
196.16942	2.4
242.24768	25.5
246.24097	0.3
263.32028	0.3
272.25821	1.8
290.26874	100.0
313.27322	1.7
318.07614	1.1
320.09146	12.7
321.09879	1.8
322.10297	0.5
331.28406	2.0
336.12311	3.8
337.12808	4.1
383.29153	1.2
519.75165	0.4
672.35394	3.6
672.55646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54494	0.3
55.72328	0.3
56.05033	2.2
57.07072	2.6
58.06609	2.7
60.04516	0.4
62.16780	0.3
67.05503	0.4
69.07088	0.3
71.08620	1.8
73.84565	0.3
74.06081	5.6
78.17894	0.3
83.08610	0.5
85.10172	1.2
86.06059	1.2
88.07634	2.8
91.03941	0.4
95.08571	1.2
118.08677	2.5
122.08143	6.1
142.78177	0.3
154.12245	2.6
171.14983	0.4
192.36494	0.3
196.16942	2.4
242.24768	25.5
246.24097	0.3
263.32028	0.3
272.25821	1.8
290.26874	100.0
313.27322	1.7
318.07614	1.1
320.09146	12.7
321.09879	1.8
322.10297	0.5
331.28406	2.0
336.12311	3.8
337.12808	4.1
383.29153	1.2
519.75165	0.4
672.35394	3.6
672.55646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18370	0.6
56.05035	2.5
56.79767	0.5
57.07081	5.5
58.06600	3.4
61.02965	0.6
61.23843	0.5
61.88343	0.5
62.53105	0.5
67.05492	0.5
69.07092	1.0
70.48858	0.5
70.77974	0.6
71.08630	3.8
74.06083	4.9
75.59563	0.6
81.07066	2.7
83.08624	1.0
84.65752	0.6
85.02914	0.8
85.10188	2.7
88.07637	2.5
89.77623	0.6
91.03944	1.2
93.05102	0.5
95.08598	1.4
95.30442	0.6
96.80140	0.7
97.10145	0.7
102.70748	0.6
109.10150	1.0
110.05810	0.5
118.08674	1.3
120.09899	0.6
122.08130	6.2
142.91010	0.6
154.12279	1.5
163.06030	0.9
171.14891	0.8
171.35501	0.6
196.16949	2.7
228.23083	1.0
237.21275	0.6
239.23593	0.7
242.24759	23.7
272.25824	1.1
290.26865	100.0
313.27344	3.2
320.09174	4.0
331.28265	6.5
651.11310	0.8
672.55109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03598	0.9
57.77869	0.8
66.24971	0.8
76.59196	0.7
91.01975	0.8
177.05563	0.9
186.52170	0.8
334.10837	1.1
337.12610	1.1
372.89249	0.9
435.19336	1.0
599.24548	1.1
673.15259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34941	0.6
57.07089	1.0
71.08631	0.8
72.46670	0.6
81.07055	1.2
85.02901	0.8
95.08623	0.9
176.07076	1.3
289.33374	0.7
290.26849	1.7
291.27319	1.2
314.27661	1.2
320.09201	25.7
320.12787	1.3
321.09494	21.1
332.29050	1.1
334.10669	1.2
336.12350	6.0
597.12811	8.4
612.15411	1.5
615.14185	5.1
625.12268	9.1
626.13812	0.9
627.14075	1.2
640.15063	1.0
642.14087	1.0
643.13403	29.5
657.15228	7.2
658.15686	27.3
673.18152	100.0
673.35547	15.2
687.82141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39995	0.7
51.08350	0.7
53.42934	0.8
53.61073	0.8
59.83290	0.7
62.74361	0.7
66.32719	0.8
67.57636	0.8
71.55415	1.0
94.26139	0.9
110.88767	1.1
116.63271	0.9
129.84865	1.0
144.72693	1.0
150.94553	1.1
153.85228	1.1
162.21788	0.9
170.50359	1.0
180.96014	0.8
300.55664	1.1
320.09253	2.2
322.28983	1.0
334.10803	2.0
336.12326	4.5
337.12903	1.3
338.13904	4.0
455.48132	1.0
500.17007	2.0
597.12805	1.8
599.14246	1.6
607.11945	1.0
615.14117	8.9
625.12109	1.2
643.13470	51.8
658.15967	12.7
673.18115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58157	0.7
64.40959	0.6
77.95892	0.6
82.03073	0.7
83.17509	0.6
97.51880	0.7
167.77608	0.7
174.05493	4.6
190.05045	1.2
217.68314	0.7
247.71786	0.8
279.09006	0.9
286.78348	0.7
307.08395	22.8
308.09189	12.7
318.07660	1.0
319.08414	3.7
320.09067	5.3
321.09711	1.0
322.10736	5.5
334.10757	7.3
335.11063	1.1
336.12277	3.9
364.07938	1.5
412.11703	0.9
429.11734	1.5
438.09738	1.2
439.10315	0.8
440.11127	3.0
456.10699	3.1
467.09711	3.3
468.10919	3.1
470.08102	1.2
482.12384	5.2
500.13412	42.5
599.14825	1.3
611.14905	1.5
613.16742	1.0
637.16125	1.3
639.13708	0.9
643.15009	1.0
657.15509	1.1
664.09161	0.9
673.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58157	0.7
64.40959	0.6
77.95892	0.6
82.03073	0.7
83.17509	0.6
97.51880	0.7
167.77608	0.7
174.05493	4.6
190.05045	1.2
217.68314	0.7
247.71786	0.8
279.09006	0.9
286.78348	0.7
307.08395	22.8
308.09189	12.7
318.07660	1.0
319.08414	3.7
320.09067	5.3
321.09711	1.0
322.10736	5.5
334.10757	7.3
335.11063	1.1
336.12277	3.9
364.07938	1.5
412.11703	0.9
429.11734	1.5
438.09738	1.2
439.10315	0.8
440.11127	3.0
456.10699	3.1
467.09711	3.3
468.10919	3.1
470.08102	1.2
482.12384	5.2
500.13412	42.5
599.14825	1.3
611.14905	1.5
613.16742	1.0
637.16125	1.3
639.13708	0.9
643.15009	1.0
657.15509	1.1
664.09161	0.9
673.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
116.42239	0.6
146.62982	0.6
160.56056	0.7
222.18939	0.8
224.16348	0.7
276.10220	2.5
277.11072	0.8
288.10101	4.8
291.09045	1.0
291.12500	2.4
292.13354	1.2
294.11276	4.8
305.10504	3.1
306.07758	0.8
306.11273	1.6
307.08459	3.3
308.09235	1.6
310.07162	3.1
319.08344	0.9
320.09213	17.0
320.12930	16.3
321.09497	17.5
322.10727	1.5
323.11337	4.7
326.10217	1.2
334.10822	4.4
336.12167	5.6
353.76828	0.7
401.41824	0.9
441.62076	0.7
597.16486	2.9
599.16974	1.0
610.13727	0.8
611.15710	0.9
613.19330	3.0
615.17822	4.8
625.16266	1.5
627.17456	4.6
628.15277	1.5
629.19110	6.8
637.15863	0.9
641.19159	10.9
643.17047	14.5
657.18707	12.4
658.19019	1.4
673.21759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83164	1.1
53.61295	1.1
63.33358	1.0
65.63999	1.0
85.20758	1.3
87.93356	1.2
99.04475	1.4
106.48910	1.5
156.53618	1.2
277.11002	1.9
279.08984	2.2
291.12469	4.6
292.09903	1.5
292.13391	1.6
294.11255	15.2
304.09763	1.6
305.10553	6.8
306.11487	2.1
307.08310	13.1
307.11392	1.2
308.09201	5.5
310.07089	10.9
319.08527	1.7
320.09235	13.9
320.12949	24.2
321.09695	3.0
322.10748	2.9
323.11578	5.6
334.10980	2.3
336.08917	1.5
336.12463	7.5
391.64493	1.6
613.19440	2.7
615.17944	1.5
625.16284	1.6
627.17810	12.5
641.18903	11.2
642.19482	5.6
643.17377	6.1
673.21637	100.0
700.88464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52139	0.9
54.40419	1.0
54.81730	1.0
60.76761	0.9
67.09847	0.9
92.20916	1.3
130.25075	1.0
215.80215	1.2
251.06587	1.3
300.05902	1.3
307.08414	15.6
308.09250	5.6
310.07047	17.1
320.09250	15.0
321.09903	6.2
322.07300	2.1
322.10886	2.3
334.10825	2.0
336.12280	10.8
467.20056	1.3
468.14111	1.2
484.14444	2.5
485.14752	2.7
500.17029	10.1
612.14697	10.0
627.17578	41.3
629.19006	1.4
641.19568	6.0
642.20050	2.4
657.19183	1.6
673.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97676	0.5
81.87634	0.5
215.01913	0.6
292.09830	1.0
307.08389	26.6
307.11935	1.0
308.09161	9.8
310.07083	15.4
310.10739	0.7
320.09164	7.1
321.09827	3.0
322.07117	1.1
322.10751	0.9
334.10919	1.5
335.75815	0.7
336.12302	6.0
378.07404	0.6
477.11258	0.7
569.14343	0.9
584.15546	2.4
597.14648	0.9
612.15173	12.4
613.16071	3.0
626.16541	1.2
627.17596	57.6
641.19165	6.4
642.19489	8.5
643.17804	1.1
655.17517	2.6
657.19110	0.8
673.21753	100.0
675.25781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25713	0.6
63.69563	0.6
64.65254	0.6
66.90450	0.8
70.04625	0.7
71.24378	0.8
75.57948	0.7
94.19521	0.6
264.79779	0.8
306.07733	1.2
307.08319	18.1
308.08917	6.0
310.07111	14.6
310.10410	1.2
319.08411	1.6
320.09122	8.2
321.09940	3.6
322.07153	2.7
323.07721	0.8
323.11652	1.3
324.08755	0.9
334.10666	5.4
335.11386	2.9
336.12283	7.9
338.10022	0.9
352.08255	1.2
597.17065	1.1
612.15448	8.2
613.16687	3.6
615.17883	2.6
626.16748	0.8
627.17560	44.3
629.19293	1.5
641.19580	6.6
642.19342	4.5
643.17303	7.1
653.26398	0.9
657.18469	7.2
673.21790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82305	1.2
62.86290	1.4
80.76000	1.4
92.20988	1.8
120.12917	1.5
191.96970	1.7
249.95578	1.6
304.09677	6.3
306.07324	1.9
307.08408	2.9
320.09149	12.8
322.10895	2.3
334.07248	1.9
334.10733	11.7
336.12320	7.3
350.10220	2.0
451.24173	1.9
456.14285	23.7
468.14474	6.5
470.12073	19.9
484.13873	36.2
485.14606	34.7
489.14145	2.3
500.16998	100.0
511.30008	2.2
519.15363	2.6
613.15765	2.0
627.17706	2.0
641.17395	2.2
655.16797	2.6
673.21002	60.1
673.35522	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01504	0.7
53.62417	0.7
68.27401	0.7
85.00110	0.7
97.39459	1.0
102.09237	0.7
159.05707	0.9
219.99080	0.9
220.56360	0.9
307.08411	17.8
307.11636	1.2
308.09128	9.6
310.07111	16.5
318.95285	0.9
320.09128	8.5
321.09897	3.7
322.07059	1.6
334.10895	1.5
335.11542	1.1
336.08817	1.9
336.12039	6.1
347.11636	1.4
455.16278	0.9
479.12244	1.1
557.64453	1.0
584.15222	1.1
599.17090	1.0
612.15088	9.5
613.15991	1.5
625.12646	3.0
627.17609	51.6
641.19568	4.5
642.20117	5.9
643.17303	1.1
655.17896	4.1
673.21912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00682	1.1
55.46488	1.0
73.85108	1.1
74.53562	1.2
77.00428	1.4
82.75600	1.1
204.82246	1.4
247.09018	1.4
306.07401	2.0
320.09366	7.8
321.10162	2.8
322.10681	1.9
332.09042	1.4
334.11075	4.9
336.12369	4.6
338.10416	7.8
456.14682	9.2
468.14575	2.8
470.12152	12.8
484.13974	13.9
485.14761	15.4
500.16992	40.5
505.14380	2.3
597.16797	4.4
614.16901	3.1
615.17645	7.1
628.14642	1.7
629.19556	9.4
641.19110	2.0
642.16974	4.7
643.16803	17.6
657.18762	18.4
658.20184	9.0
673.21875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85770	1.3
55.58615	1.2
71.95341	1.2
76.61426	1.3
82.16542	1.4
84.30527	1.6
155.55443	1.4
170.95517	1.4
211.71100	1.5
232.51918	1.5
260.38208	1.5
320.09390	6.4
321.09875	2.1
322.10678	1.8
336.12439	2.0
456.14371	21.0
468.14984	6.8
470.12241	23.9
484.13992	29.9
485.14709	25.5
500.17047	88.9
597.15576	1.8
612.18646	3.0
615.17816	6.4
629.19122	10.9
641.18390	6.2
642.16473	2.2
643.17383	13.8
657.18781	18.7
658.19312	10.1
673.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61870	0.5
54.73531	0.5
56.82257	0.5
57.29246	0.5
57.65356	0.5
66.07498	0.6
72.77146	0.6
72.90695	0.6
80.54266	0.7
80.65855	0.5
146.42592	0.6
171.68773	0.7
258.92657	0.6
278.33395	0.6
319.08423	3.0
320.09167	2.7
334.10654	6.7
335.11349	1.1
336.12314	4.9
441.12576	0.9
455.13660	1.0
456.14371	23.4
468.14096	5.1
470.12262	16.8
484.13916	29.7
485.14731	28.0
500.17041	100.0
655.17145	1.0
673.21747	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47678	0.7
52.49645	0.7
83.96535	0.8
91.26475	0.7
147.86948	0.8
164.02226	0.8
167.46552	0.8
244.83348	0.8
298.06396	0.8
314.12845	0.9
320.09283	5.3
321.09811	2.0
336.12222	1.7
365.58548	1.0
422.20157	1.0
439.14151	1.1
442.13232	1.5
456.14383	24.6
468.14417	4.5
470.12341	27.4
484.13855	41.9
485.14691	36.3
500.16998	100.0
550.53125	0.8
569.16815	1.1
597.16656	1.8
600.16040	1.2
612.18768	1.3
614.17218	1.9
615.17346	4.7
628.14856	1.3
629.19275	7.8
641.19141	3.1
642.16083	3.8
643.17065	13.3
657.18762	14.4
658.19495	11.1
673.21747	94.8
686.24835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30614	0.4
118.24747	0.5
149.80421	0.4
262.03525	0.4
320.09201	0.7
337.12659	0.5
439.14334	0.6
441.11572	0.5
455.13815	0.6
456.14322	9.7
456.20108	0.6
468.14484	2.5
469.11908	0.6
470.12265	7.6
484.13824	12.7
485.14749	11.6
500.17047	36.6
569.16986	1.0
597.16888	4.1
600.15485	0.6
601.19666	0.7
611.18420	0.7
612.19006	3.6
613.16510	0.5
614.17303	5.2
615.17761	7.7
625.15674	0.5
626.17566	0.9
627.14166	0.7
628.14795	2.7
629.19104	10.9
630.19904	0.7
641.19287	5.0
642.16266	4.9
643.17059	20.0
657.07721	1.0
657.18634	27.0
658.19440	14.6
673.21802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35994	0.5
60.52306	0.5
63.53011	0.5
63.90377	0.6
81.07070	0.8
81.83382	0.6
86.04987	0.6
88.75303	0.5
93.07041	0.6
93.85303	0.5
251.15186	0.7
276.89175	0.7
292.06247	0.8
294.11209	1.3
295.11554	1.3
310.84546	0.6
320.05566	1.5
320.09210	2.6
321.06320	2.7
321.10040	3.7
322.10596	2.7
329.38150	0.7
334.10846	2.7
336.08664	6.8
336.12445	11.2
337.12961	3.7
597.16595	1.0
611.15808	3.2
612.18164	0.8
613.16022	1.2
614.16174	1.4
615.17761	7.7
625.16309	1.4
626.17731	0.9
627.17059	1.1
629.19080	14.6
639.17737	2.8
641.18915	7.0
642.16345	1.2
643.17133	19.7
657.07861	1.3
657.18701	30.4
658.19153	6.7
673.21759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.218
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36087	0.7
61.51166	0.8
63.68871	0.7
90.19118	0.8
99.62551	0.8
100.91022	0.7
103.31519	1.0
132.57365	0.8
163.44363	0.9
184.98003	0.9
276.10254	3.8
291.12674	4.9
292.13409	5.3
304.09805	4.0
305.10605	4.6
320.09296	2.9
320.12769	40.9
321.09674	1.9
322.10602	1.3
323.11600	6.6
324.68472	0.9
334.10794	1.5
335.10977	1.4
336.08752	1.5
336.12436	5.5
337.12869	3.4
338.13297	1.0
597.16583	3.3
612.19403	1.5
614.17493	2.0
615.17969	4.1
628.15228	2.0
629.19165	12.0
641.19501	3.7
642.16571	4.0
643.17084	18.2
657.18896	19.3
658.19263	15.3
673.21869	100.0
673.36365	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29568	0.1
76.28664	0.1
89.26811	0.2
136.55116	0.2
176.47406	0.2
206.98650	0.1
219.10027	0.2
264.10196	0.2
291.09100	0.2
292.09598	3.1
293.10364	0.2
294.11227	0.8
306.07684	0.3
306.11108	0.2
308.09476	0.3
308.12860	1.2
311.50345	0.2
320.09152	11.7
321.06165	0.2
321.09900	5.2
322.10648	0.9
323.11548	3.6
334.10529	0.3
336.12277	100.0
338.13843	10.1
338.17950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46749	0.1
54.09655	0.1
55.86620	0.1
60.64519	0.2
73.62711	0.2
74.39340	0.1
79.69106	0.1
166.17998	0.2
188.35995	0.2
200.96730	0.2
225.53596	0.2
247.15327	0.2
294.11221	6.9
306.11136	1.3
308.09097	2.8
320.08978	0.2
322.10721	7.8
323.11499	26.6
334.10632	0.8
336.12283	6.2
337.12756	0.7
338.13849	100.0
673.24872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36219	0.7
63.17318	0.6
70.80905	0.6
92.20872	0.8
108.43043	0.7
133.01877	0.8
139.10393	0.7
262.05621	0.9
262.08472	0.9
276.10147	0.9
279.08768	1.1
288.10052	1.1
290.08115	0.8
291.12592	1.5
294.11215	4.7
304.09668	1.1
305.10657	1.4
307.08563	0.8
308.09048	3.8
318.07495	0.8
319.08398	3.5
320.09061	5.3
320.12766	9.2
321.09573	5.6
322.10620	2.8
322.14252	0.8
323.11703	1.5
334.10724	7.2
335.11295	1.6
336.12210	4.4
337.12772	1.0
447.43259	0.7
543.29163	1.0
546.34680	0.8
585.16528	5.0
595.15015	1.4
597.20056	0.9
599.18329	8.7
600.18738	3.7
611.17920	6.5
613.15948	17.0
615.20233	3.7
622.12738	1.3
625.18878	4.2
627.17505	8.5
628.18463	13.7
629.21875	4.8
637.15967	3.3
640.17352	0.8
641.22443	6.6
642.19250	0.8
643.20752	47.6
655.17938	1.4
657.22443	12.3
673.25861	100.0
673.72308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86302	0.2
63.38668	0.2
72.23508	0.2
108.28089	0.2
165.31372	0.2
290.08160	0.2
291.09149	0.3
292.09631	3.3
293.10413	0.5
294.11212	1.1
303.05569	0.3
306.11032	0.3
308.09055	1.0
308.12799	1.5
320.09177	10.5
321.09946	5.5
322.10712	1.7
323.11481	6.0
336.12286	100.0
338.13852	18.7
453.81625	0.2
673.25122	0.5
702.53021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25457	0.2
60.13732	0.2
78.32781	0.2
120.91226	0.2
144.96817	0.2
163.66103	0.3
294.11224	7.2
297.87177	0.3
306.11255	1.4
308.09241	3.2
320.09216	0.5
321.09851	0.5
322.10721	8.5
323.11514	27.3
334.10782	0.6
336.12289	11.1
338.13852	100.0
673.24762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93002	0.2
56.46427	0.2
69.02287	0.2
71.05192	0.2
78.23008	0.2
83.91087	0.2
104.39539	0.2
110.81755	0.2
163.27710	0.3
180.66023	0.2
275.09311	0.4
278.08203	0.6
292.09665	10.7
292.12982	0.4
294.11139	0.5
304.09677	2.3
306.07639	3.5
306.10834	0.4
307.08289	0.4
318.07629	0.3
320.09164	13.1
321.09946	30.1
322.10547	1.7
323.11090	1.4
336.12289	100.0
337.12576	5.2
338.13425	6.0
615.89111	0.3
673.24811	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96169	0.6
54.05841	0.6
61.51755	0.6
63.68210	0.7
63.80225	0.6
66.59070	0.7
72.26881	0.7
99.04407	1.3
118.54668	0.7
162.14119	0.7
205.04848	1.5
250.02821	0.9
254.54561	0.7
290.08087	11.8
292.09711	2.5
302.08020	3.1
304.05972	10.6
306.07709	3.7
318.07556	16.6
319.08371	60.8
320.09097	9.2
321.09970	6.8
334.10709	100.0
335.11148	1.7
336.12280	31.4
472.54382	0.9
485.10767	1.0
500.13138	5.8
674.18665	43.6
692.60095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88464	0.3
60.09372	0.4
65.18478	0.4
85.91151	0.4
137.05975	1.1
161.93149	0.5
287.56375	0.4
289.44537	0.4
292.09653	10.0
304.09744	0.9
304.91415	0.5
306.07471	3.1
319.08423	0.7
320.09167	13.9
321.09952	29.1
334.10645	1.0
336.12299	100.0
337.12564	0.8
338.13400	0.8
407.59149	0.5
557.89624	0.5
674.22498	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76650	0.3
57.94705	0.3
65.81881	0.3
69.52318	0.4
86.38534	0.3
117.35472	0.3
174.05396	0.7
239.36385	0.4
290.08072	6.2
300.93414	0.3
302.08096	1.9
304.06076	6.6
318.07648	8.2
319.08389	52.3
320.09171	0.6
334.10727	100.0
337.12704	0.8
443.55151	0.4
450.13675	0.4
452.14941	0.6
494.15796	0.5
512.16949	5.3
674.22339	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50421	0.1
58.06599	0.3
58.87442	0.1
61.72055	0.1
67.05492	0.2
81.07029	0.2
87.51408	0.2
105.07038	0.2
109.10158	0.2
119.04831	0.2
149.09654	0.2
177.05606	0.1
190.08665	0.2
290.08218	0.3
292.09680	3.5
318.07574	0.7
319.08401	0.9
320.09177	100.0
321.09961	0.7
334.10837	1.2
336.12366	1.8
337.12842	0.3
448.26617	0.2
600.14667	0.6
614.16052	0.4
630.19183	0.6
644.21271	0.2
674.20575	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04054	0.1
55.55470	0.1
60.39901	0.1
66.64287	0.1
67.84597	0.1
80.34272	0.1
97.10846	0.1
152.12599	0.1
177.05513	0.2
222.09317	0.1
257.50897	0.1
290.08130	0.3
292.09659	3.9
296.03839	0.1
318.07544	0.8
320.09180	100.0
334.10635	0.5
335.11310	0.2
336.12027	0.3
349.94391	0.2
375.79694	0.1
637.22235	0.2
674.22156	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04054	0.1
55.55470	0.1
60.39901	0.1
66.64287	0.1
67.84597	0.1
80.34272	0.1
97.10846	0.1
152.12599	0.1
177.05513	0.2
222.09317	0.1
257.50897	0.1
290.08130	0.3
292.09659	3.9
296.03839	0.1
318.07544	0.8
320.09180	100.0
334.10635	0.5
335.11310	0.2
336.12027	0.3
349.94391	0.2
375.79694	0.1
637.22235	0.2
674.22156	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
111.04546	0.5
174.05435	0.6
290.08051	6.4
292.09634	1.0
302.08008	2.5
304.06055	4.8
309.20081	0.5
318.07544	9.2
319.08374	51.1
320.09134	34.6
334.10718	100.0
337.12692	2.0
338.13232	0.6
441.37653	0.6
452.15009	1.1
512.16931	5.6
589.26624	0.7
674.22351	66.9
692.57117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00502	0.4
59.62353	0.4
65.54868	0.5
68.51989	0.4
105.54884	0.5
109.10188	0.6
137.02426	0.6
169.12817	0.5
181.08583	1.0
201.29680	0.5
290.08069	3.0
292.09647	9.5
302.08105	1.0
304.06302	3.9
304.09375	0.9
306.07452	2.1
307.08429	0.8
318.07599	5.2
319.08395	21.3
320.09174	10.5
321.09973	27.3
334.06744	1.1
334.10742	29.2
336.12289	100.0
338.13849	1.3
352.15802	0.6
368.27249	0.5
557.63159	0.6
666.00012	0.6
674.19452	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39519	0.1
62.15389	0.1
66.89508	0.2
90.62074	0.2
94.76222	0.2
115.03915	0.2
117.99534	0.2
119.03543	0.2
121.39761	0.2
129.30898	0.2
133.04890	0.3
136.06178	100.0
137.83827	0.2
165.53020	0.2
197.24527	0.2
261.36224	0.2
268.10367	31.3
315.15494	0.2
536.79016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32169	1.3
62.11479	1.1
73.77776	1.2
74.18368	1.2
83.62618	1.1
96.31908	1.2
136.04401	1.1
178.60799	1.3
190.04985	1.3
233.28780	1.4
285.64951	1.2
290.08215	4.6
292.09872	1.4
294.11237	2.9
295.11560	2.2
302.08118	1.7
304.06000	2.2
306.07800	1.4
308.08936	1.9
318.07590	10.7
319.08386	38.1
320.09140	34.5
320.12750	2.7
321.09671	2.7
321.13199	1.4
322.10785	1.9
334.10724	100.0
335.11090	2.7
336.12143	7.7
342.18604	1.3
352.15488	2.3
500.13120	4.5
602.17969	1.4
612.16980	2.0
623.14056	5.8
626.15179	2.7
638.16168	7.7
642.19598	1.8
644.16364	2.0
656.19373	5.3
658.17883	4.2
674.19849	62.2
674.29742	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32169	1.3
62.11479	1.1
73.77776	1.2
74.18368	1.2
83.62618	1.1
96.31908	1.2
136.04401	1.1
178.60799	1.3
190.04985	1.3
233.28780	1.4
285.64951	1.2
290.08215	4.6
292.09872	1.4
294.11237	2.9
295.11560	2.2
302.08118	1.7
304.06000	2.2
306.07800	1.4
308.08936	1.9
318.07590	10.7
319.08386	38.1
320.09140	34.5
320.12750	2.7
321.09671	2.7
321.13199	1.4
322.10785	1.9
334.10724	100.0
335.11090	2.7
336.12143	7.7
342.18604	1.3
352.15488	2.3
500.13120	4.5
602.17969	1.4
612.16980	2.0
623.14056	5.8
626.15179	2.7
638.16168	7.7
642.19598	1.8
644.16364	2.0
656.19373	5.3
658.17883	4.2
674.19849	62.2
674.29742	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78880	1.3
63.09156	1.5
117.12269	1.7
137.22214	2.0
174.05585	2.4
344.28601	2.0
352.24829	1.9
353.51654	1.7
479.13892	6.4
496.14038	2.0
508.13977	3.4
536.17065	3.1
550.17987	11.3
562.18713	9.0
590.21936	7.3
674.31110	100.0
674.40234	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41066	0.7
66.80042	0.6
77.46127	0.6
105.54169	0.7
111.93680	0.7
112.93600	0.7
129.04454	0.9
137.10748	0.7
174.05522	3.9
187.06352	0.9
334.10983	3.5
389.17282	1.1
453.12494	1.4
462.13556	3.8
464.11200	1.3
466.12799	1.0
479.13931	4.8
492.14560	1.6
496.13846	1.3
507.13004	1.2
508.14069	5.0
520.13483	1.5
522.19025	1.1
534.15887	4.1
536.17139	7.7
550.18622	7.5
562.18329	7.7
572.20850	1.7
576.20441	1.7
588.22937	1.0
590.21600	6.6
674.31116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.3
69.03423	7.1
73.02904	2.1
74.57273	1.3
81.03414	3.0
82.54665	1.4
85.02910	55.7
95.08612	2.0
97.02888	16.0
99.04464	2.2
105.07040	9.4
109.02873	5.8
109.10195	5.6
114.09073	1.3
121.19535	1.4
127.03938	15.1
137.05940	1.5
144.06508	1.6
145.04959	12.0
147.11707	2.3
157.10168	2.0
159.11691	2.0
163.06042	2.3
185.13246	1.8
199.14816	3.2
213.16437	13.0
231.13832	2.0
241.17018	3.2
241.19499	100.0
259.16931	2.6
259.20801	1.8
261.08508	1.5
269.19000	26.9
287.20065	41.2
292.09406	1.6
315.15891	2.0
315.19556	62.2
315.23099	3.1
317.52200	1.4
319.08383	2.3
320.09192	12.8
321.09744	2.2
333.20627	28.9
334.10678	11.0
336.08612	1.5
336.12225	14.0
403.24792	2.0
477.24939	1.9
495.26474	2.1
674.33331	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3893
Annotation	3,15-Diangeloylgermine
Peak:m/z	Relative Intensity
55.05516	1.1
67.05504	2.8
69.07059	0.9
74.54617	0.6
79.05491	3.0
80.05000	0.5
81.03408	1.0
81.07063	3.7
82.91629	0.6
84.04453	0.5
85.02924	0.7
91.05496	4.7
93.07046	8.0
95.04951	2.9
95.08602	2.8
97.02878	2.2
98.05998	0.6
99.04420	3.6
103.05486	2.3
105.07043	3.9
107.04944	6.8
107.08598	1.1
108.04471	5.9
109.10180	0.9
117.07008	0.9
119.08575	2.6
121.06502	100.0
121.10110	0.8
122.06024	16.5
126.05495	3.0
131.08554	0.9
133.10123	3.3
135.11668	1.2
140.07051	0.9
140.52953	0.6
144.06584	1.1
145.10077	1.0
147.11676	1.3
148.07581	2.7
150.09175	1.3
157.10092	0.6
159.11664	1.1
208.09576	0.6
246.11163	4.5
259.20386	0.8
264.12283	2.6
282.13422	0.8
321.09818	0.5
334.29541	0.9
336.12097	2.0
358.83957	0.5
380.17197	0.7
483.53705	0.8
620.35571	3.3
638.26324	0.8
638.36810	26.7
656.37921	27.6
674.39008	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.6
57.03436	12.4
57.07060	8.1
59.04999	6.5
62.76251	4.8
64.07285	5.5
66.59596	5.8
67.05511	77.6
69.03436	66.0
69.07075	27.8
71.05019	9.0
77.40185	5.6
79.05498	64.1
81.03416	40.5
81.07060	96.6
83.04992	8.4
83.08644	8.9
85.02934	44.4
85.32980	5.3
87.04456	25.5
91.05489	51.6
93.07042	100.0
95.04966	13.6
95.08607	89.8
97.02893	38.7
97.06524	8.2
97.10151	10.9
99.04472	8.4
105.07036	68.8
107.08592	70.1
109.02875	28.8
109.06520	23.0
109.10170	46.6
111.04416	6.6
115.03938	8.0
117.07027	25.1
119.08601	65.1
121.06515	24.8
121.10159	55.5
123.04431	7.0
123.08081	7.1
123.11713	9.6
125.09633	11.1
127.03943	10.0
129.06972	24.1
131.08568	61.0
133.10092	49.1
135.11684	58.2
137.09645	9.4
138.68298	5.8
143.08569	27.2
145.10109	54.5
147.11702	42.6
149.09654	7.5
149.13254	14.6
157.10124	27.8
159.08060	7.6
159.11673	42.3
161.09622	6.9
161.13234	27.9
169.10040	13.7
171.07872	6.6
171.11664	27.5
173.13243	33.3
175.11136	10.1
175.14786	9.2
177.12764	7.8
185.13268	12.1
187.14783	10.7
189.12811	7.1
199.14833	21.6
261.22049	9.3
291.23227	6.8
301.21820	7.3
303.23172	24.7
319.22919	8.8
351.22897	8.6
369.24228	44.7
380.11279	10.5
387.25201	70.3
405.26263	91.7
423.27341	56.1
423.61856	6.5
489.31970	11.0
519.29028	7.0
631.47205	6.7
694.13354	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
57.07072	3.1
67.05505	16.0
69.03432	6.7
71.04995	3.6
73.02919	22.4
75.79848	3.4
79.05486	14.1
81.03425	25.0
81.07034	20.4
83.04967	4.8
83.08598	5.8
85.02886	6.4
85.10178	8.4
90.18900	4.1
91.05459	7.5
93.07047	9.0
95.04982	5.2
95.08603	16.5
97.02892	5.5
97.06581	4.0
99.04445	100.0
105.07014	7.0
107.04950	4.0
107.08582	15.8
109.02867	16.4
109.10141	5.8
111.04407	4.8
113.09682	5.2
117.07061	5.7
119.08624	7.2
121.06467	5.5
121.10181	4.3
123.08100	4.6
127.03901	19.9
133.10104	5.2
135.11662	4.7
141.05377	5.6
143.08662	4.4
144.05252	3.5
147.08122	5.1
149.13228	4.4
157.10100	4.6
165.12755	19.4
169.10297	4.0
213.14949	4.1
243.08713	16.4
277.21652	14.6
295.22635	42.6
320.09119	14.4
334.10315	5.8
335.11044	4.7
336.12286	15.4
341.97931	4.3
419.20471	7.3
437.21432	15.1
501.28638	7.9
519.29565	5.3
646.73969	4.1
674.19678	5.7
674.35065	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	4.2
55.94588	3.9
57.07091	7.4
58.06602	6.3
58.84279	3.5
67.05499	20.7
69.03417	4.7
69.07097	8.8
72.86938	4.5
73.02921	8.7
74.69852	4.0
79.05495	5.5
81.03400	9.5
81.07071	17.5
85.10172	26.1
91.05482	6.4
93.07041	9.1
95.05006	6.7
95.08632	7.4
99.04464	100.0
107.08598	5.4
109.02872	5.8
109.10139	10.6
113.09666	20.7
123.08096	5.0
127.03945	6.7
128.12270	3.9
143.08629	5.9
163.11206	6.5
165.12749	24.8
173.11763	5.8
179.43698	4.4
186.91145	4.4
243.08615	10.0
277.21579	19.7
290.26895	18.6
295.22690	86.9
319.08493	7.4
320.09122	30.5
320.12683	9.3
321.09549	6.3
321.13150	8.0
322.10428	6.5
334.10754	18.6
335.31046	5.0
336.12213	35.8
338.13803	5.4
630.19238	7.2
644.16998	18.7
658.18365	19.7
674.21613	96.7
674.33881	20.6
695.85107	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.3
55.05504	6.9
57.07079	2.0
59.67600	1.4
67.05496	16.4
69.03419	10.5
69.07066	9.3
71.04998	2.8
71.08620	2.9
73.02917	15.0
79.05493	8.7
81.03424	19.1
81.07079	20.9
83.04961	4.1
83.08622	6.6
85.02902	10.9
85.06525	2.4
91.05476	9.3
93.07060	14.2
95.04951	8.8
95.08603	13.9
97.02923	2.7
97.06539	1.9
99.04458	100.0
99.08085	2.2
104.24181	1.7
105.07017	8.6
107.04987	4.4
107.08588	7.0
109.02876	10.3
109.06532	3.4
109.10152	12.0
111.04478	1.9
111.08067	2.2
117.07002	3.4
119.08566	8.0
121.06529	2.7
121.10133	4.1
123.11673	3.0
125.09581	2.2
127.03905	14.6
131.08546	4.3
133.10141	6.8
135.11652	2.9
141.05449	7.1
141.19475	1.7
145.04997	3.3
145.06270	1.6
147.08022	2.0
147.11678	2.5
149.09578	2.3
149.13300	1.9
151.07611	1.6
151.11171	4.3
157.10056	2.9
159.11658	2.9
161.13232	3.0
163.11201	4.1
165.12692	2.8
173.11696	2.1
173.13197	1.9
175.14880	2.3
185.13167	1.8
190.04912	2.2
192.99634	1.7
195.13734	2.1
211.09657	2.5
222.93510	2.2
242.24736	2.9
243.08578	16.6
261.09995	1.8
277.21591	8.6
290.26740	13.0
295.22662	8.7
306.07266	1.9
319.08270	3.1
320.09137	10.6
320.12701	3.1
321.12897	3.5
334.10748	3.6
336.11935	3.8
338.13531	2.5
345.15622	2.2
397.18506	3.2
437.21744	7.7
467.79218	2.0
485.28915	4.2
503.29984	7.5
519.29187	7.9
630.19556	2.2
642.18683	3.1
643.16449	2.0
644.17224	2.7
658.18958	7.7
674.21655	31.5
674.33246	8.3
674.50171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59322	2.6
51.29356	2.6
53.03947	3.4
67.05518	13.2
69.03439	5.3
69.07051	3.8
73.02911	23.6
75.35698	3.4
79.05485	6.1
81.03416	14.2
81.07052	20.8
83.04946	5.2
83.08626	5.4
88.64292	3.3
91.05493	4.6
93.07047	18.9
95.04978	3.8
95.08618	7.7
97.02864	8.5
99.04455	100.0
100.75252	3.6
101.25256	3.2
107.08588	15.9
109.02863	13.1
109.10168	4.1
119.08562	5.1
121.10160	28.8
127.03910	21.7
132.71779	4.1
133.10075	5.4
135.11664	23.8
147.11711	7.3
159.11732	4.2
223.14600	3.6
243.08632	16.7
277.21616	19.3
306.07526	4.0
320.09088	37.4
321.09680	13.7
322.10516	19.3
334.10754	3.7
336.12384	39.8
337.12369	5.1
350.09946	3.6
357.24115	4.2
385.23624	6.1
403.24661	13.4
421.25815	6.7
439.26941	7.8
501.28357	16.6
519.29498	54.5
537.30646	18.2
555.31274	5.8
578.14618	4.3
594.20361	3.8
674.38507	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21564	19.8
79.16154	22.9
128.77142	25.9
180.32681	24.9
218.62413	23.6
258.11481	25.0
284.64624	27.8
306.23007	25.4
332.91577	27.3
483.01013	25.2
514.23389	26.4
675.07227	98.3
675.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98795	1.3
81.07015	1.4
81.99317	1.2
111.35361	1.3
249.07777	9.7
277.07425	5.1
284.61267	1.4
292.06055	9.0
305.06796	5.7
306.07626	21.7
307.08273	12.7
308.05411	2.2
320.05554	10.9
321.06284	19.4
322.07129	29.9
323.07880	20.2
336.08649	100.0
338.10226	73.9
338.14343	2.4
339.19125	1.5
675.19135	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56411	1.6
54.33888	1.5
64.32354	1.4
64.33569	1.3
113.28630	1.7
130.00597	1.7
176.84222	1.5
181.54987	2.1
248.07091	3.0
249.07846	11.4
277.07455	7.7
290.08005	2.9
292.06284	2.2
294.07504	2.5
305.06827	21.7
306.07529	25.4
307.08377	16.3
307.11447	2.2
308.05640	2.1
308.09119	2.4
319.08359	20.2
320.09036	36.9
321.09470	8.6
322.07077	31.7
322.10791	5.8
323.07880	29.2
334.10730	46.1
335.11050	47.5
336.12238	3.6
338.10199	100.0
338.14249	3.4
346.84943	1.6
501.13754	2.5
585.49292	1.7
601.42664	1.7
631.17773	1.8
657.18872	2.4
659.17804	2.2
675.19324	46.0
675.29852	26.7
702.10358	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98795	1.3
81.07015	1.4
81.99317	1.2
111.35361	1.3
249.07777	9.7
277.07425	5.1
284.61267	1.4
292.06055	9.0
305.06796	5.7
306.07626	21.7
307.08273	12.7
308.05411	2.2
320.05554	10.9
321.06284	19.4
322.07129	29.9
323.07880	20.2
336.08649	100.0
338.10226	73.9
338.14343	2.4
339.19125	1.5
675.19135	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90913	0.4
59.78503	0.4
66.22585	0.4
182.97375	0.4
237.07967	0.6
248.07063	2.5
249.07831	10.1
270.46765	0.6
273.11957	0.5
276.06827	0.6
277.07275	7.7
290.08035	2.0
292.06021	2.0
293.06760	2.4
294.07837	4.1
294.10791	0.7
301.81573	0.5
304.05948	0.8
305.06793	16.7
306.07590	24.2
307.08377	12.3
307.11588	0.7
308.05518	3.6
308.09033	0.9
309.05948	0.7
318.07660	0.8
319.08371	8.0
320.08994	21.7
321.09695	3.5
322.07098	28.4
322.10294	1.0
323.04022	1.0
323.07864	30.4
334.10715	25.2
335.11063	23.1
336.08493	2.4
336.12259	1.1
338.10211	100.0
657.18976	2.1
675.19312	8.9
675.29773	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90913	0.4
59.78503	0.4
66.22585	0.4
182.97375	0.4
237.07967	0.6
248.07063	2.5
249.07831	10.1
270.46765	0.6
273.11957	0.5
276.06827	0.6
277.07275	7.7
290.08035	2.0
292.06021	2.0
293.06760	2.4
294.07837	4.1
294.10791	0.7
301.81573	0.5
304.05948	0.8
305.06793	16.7
306.07590	24.2
307.08377	12.3
307.11588	0.7
308.05518	3.6
308.09033	0.9
309.05948	0.7
318.07660	0.8
319.08371	8.0
320.08994	21.7
321.09695	3.5
322.07098	28.4
322.10294	1.0
323.04022	1.0
323.07864	30.4
334.10715	25.2
335.11063	23.1
336.08493	2.4
336.12259	1.1
338.10211	100.0
657.18976	2.1
675.19312	8.9
675.29773	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96445	0.8
58.06617	0.7
61.44817	0.6
81.08735	0.7
91.57944	0.8
96.15600	0.7
114.77670	0.9
151.03777	0.7
190.05101	1.0
216.19269	0.8
221.73579	0.7
248.07103	3.3
249.07855	12.8
263.05844	1.0
276.06656	1.1
277.07248	5.7
290.07956	1.0
292.06049	1.4
293.06979	0.8
294.07626	3.2
304.06030	1.2
305.06818	20.6
306.07562	29.6
307.08380	16.6
308.05481	4.0
308.09009	4.5
318.07660	1.8
319.08347	7.0
320.09146	17.6
321.06250	1.1
321.09802	1.4
322.07132	36.6
322.10706	5.8
323.07852	27.7
323.11203	4.1
334.10742	13.4
335.11185	3.7
336.08380	1.8
336.12170	3.2
338.10208	100.0
503.92053	0.8
554.07855	0.9
580.07343	1.1
593.95392	1.0
627.13721	1.2
657.18591	2.9
674.73010	1.2
675.19745	16.7
675.32947	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97223	0.5
56.83605	0.5
70.01594	0.5
76.72699	0.5
87.46108	0.5
121.94400	0.5
138.92993	0.5
156.06354	0.5
220.17189	0.5
334.07861	7.3
349.10434	100.0
367.11447	0.7
385.78726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2296
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
50.76333	0.9
52.12512	0.9
57.07072	1.2
72.14301	1.1
81.07072	1.8
95.08595	1.3
111.48895	1.3
139.40947	1.1
161.87048	1.4
201.28081	1.2
284.12567	1.5
313.96658	1.3
334.29330	1.4
336.12411	2.3
394.02255	1.5
400.15207	1.7
404.29752	1.5
427.17764	1.8
428.18463	9.4
455.17099	36.3
456.17603	8.7
482.15692	1.9
483.16577	39.2
484.16370	1.9
486.18857	2.4
487.20291	4.5
495.16690	2.8
499.16049	2.6
509.18295	2.5
511.15979	3.0
515.19257	2.2
523.16058	5.1
527.15515	41.5
528.15393	11.1
537.17389	5.3
538.17682	1.7
539.19281	48.7
540.19281	18.4
541.17297	2.1
557.20313	25.4
560.22809	2.5
573.20154	2.1
587.21692	1.9
588.22119	28.7
615.20715	15.5
616.21027	15.0
643.20380	100.0
647.23077	6.2
675.23035	25.5
675.34412	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60540	0.4
53.56680	0.3
56.04161	0.3
73.70073	0.3
91.19797	0.3
92.20924	0.5
92.91869	0.4
140.30608	0.4
157.40732	0.4
198.20691	0.4
249.07945	1.9
277.07507	0.8
279.09048	0.5
293.10580	0.6
294.07953	0.8
294.11212	14.0
294.14325	0.6
305.06870	2.3
306.07718	5.9
306.11301	2.9
307.08420	4.4
308.05716	0.8
308.09122	8.5
308.12457	0.7
319.08490	0.8
320.09134	2.3
321.09875	4.0
322.07144	4.8
322.10693	42.0
323.07947	5.2
323.11465	46.9
334.10727	3.3
336.12286	14.9
337.13034	6.3
338.10233	6.7
338.13837	78.7
461.16006	0.4
489.14417	0.6
490.15103	1.0
505.17822	7.1
507.15598	4.1
613.16315	0.7
627.17712	0.8
643.20703	2.2
675.23376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23526	0.9
56.51316	1.3
62.07410	1.1
92.21510	1.4
137.05986	1.5
172.65598	1.3
212.49614	1.2
236.37325	1.2
267.34650	1.5
277.54868	1.3
294.11438	2.9
301.82367	1.4
306.07587	2.1
308.09161	1.9
320.09171	9.7
321.09958	2.3
322.07196	2.2
322.10602	15.0
323.08185	1.8
323.11563	13.4
334.10904	5.5
336.12451	5.8
338.13843	20.7
429.49792	1.4
615.18109	1.6
617.19159	7.0
627.18341	2.0
631.21301	2.4
643.20282	2.4
645.18573	24.7
659.20093	13.0
675.23389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36858	0.4
97.97980	0.4
101.37717	0.4
147.04489	0.5
163.05470	0.7
167.07057	0.7
189.05736	1.6
190.06599	1.8
249.07848	2.0
258.21216	0.4
260.75351	0.5
276.06476	3.7
277.07300	1.1
290.08249	1.9
293.10486	0.5
294.11267	14.8
304.06189	2.6
305.07080	1.7
306.07706	6.3
306.11322	2.5
307.08508	4.8
307.11749	0.7
308.05753	0.8
308.09149	6.5
308.12640	0.8
309.10049	0.8
316.05984	1.0
318.07809	2.9
319.08331	4.2
320.08844	3.9
321.09985	2.6
322.07172	4.8
322.10718	44.8
323.07983	5.9
323.11481	45.5
334.10712	5.4
335.11182	2.2
336.12274	14.5
336.15924	0.7
337.13074	5.7
338.10239	6.5
338.13861	80.9
447.19794	0.4
489.15070	0.7
490.15488	2.1
491.12329	0.7
505.17603	7.5
507.15640	5.6
627.17352	1.0
628.17834	0.7
643.20770	2.8
675.23395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95847	0.4
52.12479	0.4
56.27631	0.5
60.35543	0.5
61.81733	0.5
66.75127	0.6
69.07098	0.6
85.02877	1.3
93.67140	0.5
94.66166	0.6
124.86243	0.6
234.78778	0.6
239.90891	0.7
292.09564	2.2
293.10431	5.6
294.11188	15.8
306.11301	3.8
307.08331	1.2
308.09198	7.8
308.12872	7.1
309.09906	0.7
319.08496	1.0
320.09198	3.5
321.09943	6.4
322.07770	0.8
322.10724	29.7
323.11496	52.5
334.10657	2.7
335.11319	0.9
336.12265	36.2
337.12903	14.7
338.13843	100.0
453.79892	0.7
507.15823	2.8
525.04193	0.7
592.47760	0.7
600.40369	0.7
675.23169	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2337
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
54.42286	0.6
66.69556	0.7
67.40410	0.6
83.98862	0.7
84.09000	0.8
92.21586	0.8
94.14686	0.7
112.12429	0.7
154.94478	0.8
172.20500	0.7
233.01089	0.8
256.88669	0.7
262.51212	0.9
278.08215	1.1
292.09595	1.0
293.10260	0.9
294.11203	13.6
305.06937	1.1
306.07675	6.6
306.11301	3.1
307.08588	4.5
308.09265	7.9
319.08368	1.7
320.09183	21.8
321.09534	18.9
322.07257	4.9
322.10706	46.1
323.07898	3.8
323.11450	40.5
323.15247	1.3
334.10748	6.3
336.12311	14.0
337.13052	6.5
338.10229	6.4
338.13837	75.0
349.21127	0.9
365.73993	0.8
465.34552	0.9
490.15433	1.4
505.17722	6.7
507.15414	3.9
511.97159	0.9
643.21301	1.1
675.23352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2332
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
51.95847	0.4
52.12479	0.4
56.27631	0.5
60.35543	0.5
61.81733	0.5
66.75127	0.6
69.07098	0.6
85.02877	1.3
93.67140	0.5
94.66166	0.6
124.86243	0.6
234.78778	0.6
239.90891	0.7
292.09564	2.2
293.10431	5.6
294.11188	15.8
306.11301	3.8
307.08331	1.2
308.09198	7.8
308.12872	7.1
309.09906	0.7
319.08496	1.0
320.09198	3.5
321.09943	6.4
322.07770	0.8
322.10724	29.7
323.11496	52.5
334.10657	2.7
335.11319	0.9
336.12265	36.2
337.12903	14.7
338.13843	100.0
453.79892	0.7
507.15823	2.8
525.04193	0.7
592.47760	0.7
600.40369	0.7
675.23169	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.233
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
51.61740	1.0
53.54837	0.9
67.03345	1.1
84.93656	1.4
97.02905	1.5
98.25277	1.1
99.04448	4.7
105.12458	1.1
105.14248	1.2
109.02858	1.4
127.03854	1.5
154.59261	1.3
277.21515	1.5
320.09210	6.2
321.09796	3.0
322.10773	9.0
323.11652	5.0
334.10797	7.7
335.11191	2.7
336.12308	6.8
338.13834	6.6
437.21338	2.1
442.12009	2.7
458.12427	5.3
464.45157	1.6
470.15677	1.7
475.13367	1.8
491.16068	2.5
507.15607	11.5
577.28790	1.7
613.16510	1.6
617.19391	2.0
628.18549	1.9
643.21039	5.8
645.18530	12.7
659.19434	2.4
675.23224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14600	0.4
87.96948	0.5
88.86123	0.5
89.12291	0.4
99.13261	0.5
167.03090	0.4
188.20421	0.5
264.10043	0.7
290.08115	2.8
292.09641	3.0
293.10501	7.0
294.11218	17.2
304.06015	2.6
306.07724	0.9
306.11298	2.9
307.08313	2.7
307.11777	0.8
308.09116	8.4
308.12787	8.6
309.09891	0.6
318.07599	3.3
319.08359	9.3
320.09146	10.7
321.09909	4.8
322.07889	0.8
322.10703	28.5
323.11502	58.2
334.10727	15.2
335.11124	3.1
336.12274	35.1
337.13065	11.1
338.13843	100.0
507.15576	2.3
511.40778	0.6
551.72125	0.5
675.23376	85.4
675.72681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32761	0.4
57.55270	0.4
64.55364	0.4
82.45205	0.4
85.62785	0.5
155.93999	0.5
163.05481	1.1
167.07144	1.7
175.03986	0.6
181.08658	0.9
188.05095	0.7
189.05771	0.9
190.06514	0.7
191.07112	0.5
207.06604	0.8
215.07291	0.5
219.10359	0.5
248.07317	0.5
249.07846	2.0
258.38086	0.5
276.06668	3.1
277.07300	0.9
278.08240	1.1
290.08292	2.7
292.06354	0.5
292.09979	0.6
293.10553	0.7
294.07892	1.0
294.11218	15.9
294.14288	0.9
302.08255	0.6
304.05792	1.5
305.06931	1.9
306.07697	5.6
306.11435	2.8
307.08417	5.3
308.09137	9.4
308.12924	0.6
318.07718	2.7
319.08362	3.9
320.09119	3.7
321.09991	1.9
322.07162	5.5
322.10703	46.4
323.07993	5.8
323.11487	49.0
334.10712	6.8
335.11261	2.7
336.12296	13.5
337.13110	5.7
338.10248	6.0
338.13852	85.9
383.14990	1.1
411.14334	1.1
419.13528	3.5
429.15189	0.6
475.12631	0.7
485.21634	1.8
489.14850	2.3
490.15164	1.9
491.12637	0.5
492.13321	0.8
505.17603	7.5
507.15491	5.1
639.60773	0.6
643.21277	2.4
675.23431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61464	0.3
75.26939	0.3
79.61224	0.3
97.91415	0.5
118.49928	0.3
119.49113	0.4
164.32892	0.4
196.42548	0.4
211.09628	0.8
219.10869	0.5
294.11270	10.4
306.11221	1.9
308.09103	4.8
322.10767	12.2
323.11508	34.1
324.12650	0.4
336.12503	1.2
337.12552	0.5
338.13855	100.0
352.15631	0.9
675.25739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23224	0.1
84.78846	0.1
104.19403	0.1
135.01253	0.2
149.02295	0.2
277.10944	0.2
294.11230	7.7
306.11203	1.0
308.09152	2.7
321.09674	0.2
322.10718	7.8
323.11499	26.7
324.11810	0.3
325.12177	0.2
336.12335	1.3
337.12814	0.2
338.13837	100.0
339.14053	2.1
340.14554	1.3
534.41852	0.2
675.27832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85799	0.1
71.24511	0.1
99.69456	0.2
117.26939	0.1
134.32884	0.2
155.66290	0.1
164.69902	0.2
277.11026	0.2
279.08978	0.2
294.11243	6.8
306.11044	1.1
307.74387	0.2
308.09207	3.6
320.09158	0.9
321.09857	0.3
322.10721	7.9
323.11508	25.9
324.11984	0.2
334.10623	0.3
336.12283	1.0
338.13846	100.0
339.14127	0.6
552.77649	0.2
675.27460	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30325	0.3
60.79406	0.3
64.79490	0.3
66.19670	0.2
100.30563	0.3
109.72995	0.3
134.69601	0.3
138.77316	0.3
158.60884	0.3
235.75102	0.4
280.09732	0.7
294.11203	12.3
301.24081	0.3
306.11179	2.8
308.09189	4.9
322.10712	15.1
323.11505	33.8
336.12289	1.4
337.12671	1.8
338.13846	100.0
675.22443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86873	0.2
67.24011	0.2
73.21430	0.2
92.20953	0.3
105.99780	0.2
117.86419	0.2
125.98782	0.2
294.11218	6.5
306.11261	1.5
308.09140	3.4
322.10706	7.8
323.11505	27.1
336.12256	1.0
338.13846	100.0
394.38971	0.3
396.71097	0.3
675.26752	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23224	0.1
84.78846	0.1
104.19403	0.1
135.01253	0.2
149.02295	0.2
277.10944	0.2
294.11230	7.7
306.11203	1.0
308.09152	2.7
321.09674	0.2
322.10718	7.8
323.11499	26.7
324.11810	0.3
325.12177	0.2
336.12335	1.3
337.12814	0.2
338.13837	100.0
339.14053	2.1
340.14554	1.3
534.41852	0.2
675.27832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18992	10.7
72.68960	12.1
72.75362	10.3
83.22656	11.5
144.50084	11.2
206.44983	14.7
215.00343	12.1
250.86282	13.3
421.11603	11.4
421.24231	16.5
533.25348	24.9
547.60406	12.7
593.27258	58.7
660.81134	14.6
675.31903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58441	2.5
55.05499	3.4
57.07078	3.7
61.02915	16.2
67.05504	14.4
69.03454	3.8
69.07059	6.0
70.61771	3.4
73.02930	4.7
75.02584	3.1
78.98525	3.0
79.05491	19.3
81.07062	17.9
85.02905	22.8
91.03954	16.9
91.05479	21.0
93.07031	31.5
95.08612	22.4
97.02883	17.2
97.51324	3.5
105.07031	36.2
107.08595	21.5
109.10138	7.1
117.07031	4.9
119.08559	32.1
121.10146	25.1
130.43913	3.4
131.08611	11.7
133.10110	31.5
135.11713	13.6
143.08511	6.1
145.10110	7.5
147.11690	24.2
148.15994	3.2
149.13301	12.1
157.10114	15.7
159.11665	15.9
161.13261	18.2
171.11673	17.0
173.13231	8.3
175.14801	5.3
178.41142	3.7
185.13226	8.1
199.14760	3.9
208.36507	3.9
241.19560	8.4
259.20529	46.9
285.07562	6.1
306.07556	4.6
321.09857	7.6
322.10330	5.7
334.10803	4.2
336.12280	18.4
337.12564	7.6
338.13589	5.8
351.25278	100.0
441.26450	7.8
459.27634	6.1
477.28708	7.9
495.29309	14.5
507.15472	4.6
675.21674	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17414	1.2
51.85518	1.3
52.88441	1.2
55.05509	6.1
57.03439	3.5
60.04587	1.3
60.76048	1.3
61.02654	1.7
61.02925	16.6
67.05511	14.7
69.03429	3.5
69.07063	5.9
71.04974	1.5
72.91981	1.4
73.02895	3.2
74.57678	1.2
79.05501	18.6
79.05895	2.4
79.89125	1.4
81.03434	2.6
81.07058	22.0
83.08643	3.0
85.02895	22.2
91.03930	16.2
91.04424	1.6
91.05475	18.8
93.07034	22.4
94.33443	1.6
95.04967	1.8
95.08611	18.7
97.02906	11.9
97.10179	2.1
105.07028	26.4
107.08586	20.0
109.06515	1.8
109.10151	9.8
111.53672	1.4
117.07029	8.7
119.08572	26.1
121.10137	19.7
127.03886	2.8
129.07016	3.7
130.35370	1.5
131.08545	13.0
133.10138	29.0
135.11708	16.5
135.47931	1.7
143.08569	6.2
145.04921	2.9
145.10114	19.0
147.11681	35.6
149.13239	20.4
157.10132	9.2
159.11676	21.6
161.13261	20.9
163.06058	2.8
163.11166	1.8
163.14775	3.6
167.45735	1.4
171.11668	11.4
173.13297	10.4
175.14793	9.6
183.11827	2.4
185.13240	8.0
199.14853	2.8
201.16364	1.6
241.19511	14.0
259.20569	45.3
292.09695	1.9
321.09705	2.5
333.24088	6.2
336.12115	8.5
338.13672	1.8
349.23868	1.9
351.25278	100.0
367.22488	2.0
375.25500	1.9
391.17703	2.1
459.27411	3.1
477.28351	7.1
495.29672	12.8
513.30377	8.2
523.76849	1.9
617.17603	2.0
657.34436	3.1
675.31781	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00294	2.3
54.95340	2.4
55.05519	3.0
58.06608	2.6
61.02929	10.4
63.05964	2.3
67.05497	11.7
69.07069	3.7
69.71267	2.1
79.05490	20.7
81.07078	18.5
83.08634	3.5
85.02905	19.0
91.03954	16.2
91.05470	17.9
93.07046	24.8
95.08598	10.8
97.02876	5.7
105.07037	19.6
107.08611	17.5
109.10146	9.4
117.07006	5.5
119.08571	27.3
121.10126	14.3
123.11723	3.1
127.03865	3.7
129.06938	7.0
131.08563	14.8
133.10147	29.4
135.11702	13.8
143.08574	5.9
145.10104	9.9
147.11693	21.2
149.13257	5.6
157.10141	10.7
158.87663	2.7
159.11693	13.7
161.13243	23.2
163.06047	5.8
163.14835	2.5
171.11694	12.9
173.13263	5.9
175.14815	9.8
183.88327	2.2
185.13261	9.6
210.12572	2.6
231.37079	2.4
241.19551	12.8
259.20578	34.6
322.10880	4.5
334.10730	9.7
336.12180	10.2
337.12625	6.1
351.25342	100.0
410.12296	3.0
441.26239	3.3
459.27490	3.7
477.28305	5.2
495.29584	11.6
507.15613	2.8
630.15723	2.9
645.18457	9.6
675.22913	68.5
675.33081	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71320	1.3
55.05520	7.5
56.46051	1.8
57.03439	2.7
57.57807	1.6
61.02929	13.0
67.05504	20.5
69.03440	1.9
69.07069	8.5
71.05013	1.8
73.02930	2.8
75.04519	1.9
79.05493	26.4
81.03442	3.1
81.07065	22.8
82.12644	1.9
83.08628	4.2
84.03310	1.8
85.02909	20.1
91.03944	17.0
91.05489	22.7
93.07047	35.4
95.04950	3.4
95.08592	22.0
97.02895	10.2
105.07032	26.6
107.08603	31.1
109.06548	2.1
109.10150	14.5
117.07050	7.5
119.08572	25.6
121.10126	25.9
129.06989	4.5
131.08556	13.8
133.10143	30.8
135.11697	25.7
143.08586	7.2
145.04941	4.1
145.10143	12.9
147.11667	25.2
149.13228	13.8
157.10117	8.4
157.68237	1.9
159.11673	13.9
161.13261	16.4
163.06001	2.8
163.14758	2.7
171.11694	10.3
173.13240	7.4
175.14827	11.3
177.12712	2.2
185.13281	10.0
199.14839	3.9
211.14954	2.0
216.90897	1.9
231.21095	2.9
241.19533	9.8
259.20581	43.4
269.10550	3.6
277.21576	3.2
311.68829	2.2
322.10730	3.2
333.24173	4.1
334.07040	17.5
334.10818	3.8
336.12225	12.5
337.12616	4.4
349.09586	9.3
350.10217	3.1
351.25314	100.0
441.26108	8.1
459.27460	3.2
477.28561	4.0
495.29556	13.5
675.20892	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10039	4.6
57.50532	4.6
72.85103	5.6
81.01918	12.0
86.20331	5.3
86.62893	5.4
94.02680	23.7
150.08910	19.4
164.10484	12.9
178.12035	7.1
180.09955	34.1
185.28418	5.8
194.11528	63.6
206.11542	35.5
208.13126	31.5
220.13078	78.2
222.14691	60.0
223.26466	5.9
234.14780	6.8
236.12593	7.3
237.13278	40.9
248.16173	100.0
318.24057	11.3
320.09244	11.9
320.25519	7.5
336.12253	10.4
346.27234	23.8
350.23135	11.3
378.26105	32.0
390.57932	6.6
398.58997	6.1
407.28717	12.0
675.42938	52.3
675.52826	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63456	0.7
50.74989	0.7
50.81591	0.8
52.62798	0.6
54.50827	0.6
56.88612	0.8
92.21631	0.9
96.10382	0.9
182.22565	0.9
189.83969	0.8
190.04971	8.3
206.18633	0.8
213.71825	0.9
218.04427	0.9
256.27509	0.8
277.07422	1.8
278.08069	10.7
291.08914	1.9
294.11169	1.1
304.06064	1.7
305.06714	4.2
306.07590	39.1
313.13052	0.9
318.07776	1.8
319.08337	5.0
320.05579	3.7
320.09100	11.3
321.09933	4.1
322.10605	1.1
334.07095	100.0
334.10608	7.2
335.07751	4.5
335.11179	6.6
336.08698	1.1
336.12338	2.0
348.08643	3.2
349.09464	32.9
350.10248	9.3
358.92154	1.0
510.08081	3.8
658.13141	1.6
676.14185	58.6
676.23663	6.8
676.32275	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81138	0.2
71.88239	0.2
74.50065	0.2
85.10410	0.2
93.25470	0.2
96.11987	0.3
97.88465	0.2
99.70959	0.2
151.63258	0.2
168.00960	0.3
266.54175	0.2
290.08090	10.1
302.08182	3.2
304.06067	9.4
304.09561	0.3
318.07611	12.5
319.08389	51.9
334.10730	100.0
398.28952	0.3
436.11884	0.9
436.17902	0.3
452.14694	1.5
468.14249	0.4
504.85355	0.3
542.84985	0.3
582.40424	0.3
676.20227	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63739	0.7
56.10967	0.8
65.34686	0.8
75.06696	1.0
106.99915	0.8
290.08081	8.0
302.08017	3.4
303.16278	1.0
304.06049	8.4
308.09207	1.0
315.33734	0.8
318.07617	12.2
319.08377	52.8
334.10721	100.0
350.80939	0.9
676.20215	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75958	0.3
64.89870	0.4
75.59012	0.3
88.35632	0.3
199.20404	0.4
222.18335	0.3
276.06534	0.5
290.08087	10.4
302.08099	2.3
304.06009	9.2
308.09180	22.1
318.07559	11.9
319.08389	54.6
320.09085	3.2
334.10715	100.0
338.13779	0.4
540.17181	0.5
676.21997	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48282	0.1
51.75229	0.1
56.63158	0.1
61.28310	0.2
111.35117	0.2
112.60316	0.2
134.08131	0.2
152.05061	0.2
223.81343	0.2
276.06299	0.6
278.08102	0.4
279.08441	0.2
290.08096	9.9
302.08099	2.6
303.08862	0.4
304.06009	9.2
304.09531	0.3
308.08902	0.2
315.21643	0.2
318.03806	0.4
318.07593	13.6
319.08386	56.2
320.09143	3.1
322.10757	1.7
329.11523	0.3
334.10727	100.0
336.11731	0.2
397.16583	0.2
478.89438	0.2
502.14542	0.2
650.90186	0.2
676.20203	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44046	0.2
69.56223	0.2
81.18388	0.2
89.89884	0.2
104.34263	0.2
140.30455	0.3
164.31876	0.3
229.87224	0.2
238.46474	0.2
276.06314	0.5
289.20224	0.2
290.08127	10.1
302.08081	2.9
304.06036	8.9
318.07590	11.9
319.08389	54.2
320.09393	0.4
322.10757	1.5
334.10721	100.0
398.19827	0.2
407.32486	0.3
531.54706	0.3
532.27002	0.3
594.41333	0.3
676.20209	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06780	0.2
61.00016	0.2
61.67439	0.2
71.56417	0.2
78.32687	0.3
79.15462	0.2
81.87850	0.2
100.45886	0.2
102.27348	0.2
141.95079	0.2
174.05453	0.3
273.08066	0.2
275.85138	0.2
276.06458	0.4
290.08072	9.1
302.08124	2.2
304.06036	7.5
304.09479	0.3
318.07581	10.0
319.08374	52.9
334.10712	100.0
372.12366	0.2
496.17270	0.4
529.19452	0.2
536.68695	0.2
676.23865	47.6
682.14148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50570	0.4
113.35599	0.4
175.20721	0.4
290.08163	8.3
302.08160	2.1
304.06021	8.7
304.09222	0.7
308.09009	0.5
318.07574	11.2
319.08395	49.4
320.41043	0.5
320.60229	0.5
334.10721	100.0
459.17471	0.4
461.90240	0.5
471.32910	0.5
531.48828	0.5
676.23914	57.6
687.13843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47342	0.2
76.18340	0.3
171.54231	0.3
171.67207	0.3
290.08130	7.7
302.08069	2.1
304.06003	6.4
308.09167	17.4
318.07578	9.7
319.08386	53.9
334.10724	100.0
336.12341	0.4
338.13202	0.3
368.07422	0.4
617.76331	0.3
676.23871	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13662	0.2
55.70347	0.2
56.81435	0.2
82.48186	0.2
87.19350	0.2
92.20930	0.3
123.90053	0.2
130.24365	0.3
168.99664	0.3
175.83203	0.3
246.46614	0.3
290.04959	0.5
290.08084	9.8
302.08154	2.4
304.06042	7.6
308.09222	0.3
318.07590	10.3
319.08392	51.1
334.10727	100.0
372.12039	0.4
496.17612	0.3
499.73996	0.3
676.23920	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
89.31470	0.2
145.21690	0.2
148.95016	0.2
174.05438	0.4
226.93155	0.2
257.57504	0.2
277.37344	0.2
290.08099	7.6
302.08170	2.7
304.05997	7.9
318.07599	12.2
319.08392	53.1
334.10730	100.0
352.08078	0.4
372.12564	0.3
496.17542	0.5
676.23889	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17956	0.2
59.02740	0.2
59.23138	0.2
83.37942	0.2
83.61209	0.2
85.00719	0.2
91.15170	0.2
137.05919	0.3
143.82693	0.3
221.58502	0.3
275.69669	0.3
276.06342	0.5
290.08078	8.2
302.08078	2.9
304.06009	7.6
304.09158	0.5
308.09189	0.3
318.07584	11.4
319.08377	51.0
320.08777	0.4
324.11847	0.3
334.10715	100.0
338.13715	0.6
339.14282	0.5
387.28860	0.3
579.10980	0.3
613.88458	0.3
676.23895	51.9
696.98090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65386	0.3
67.10762	0.2
86.20221	0.2
107.48454	0.2
108.81046	0.2
121.02663	0.3
138.59183	0.3
218.72902	0.2
276.06433	0.4
290.08090	9.1
302.08032	2.3
304.06070	8.0
318.07617	9.9
318.11115	0.5
319.08377	49.6
334.10718	100.0
514.19153	0.4
676.23907	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47342	0.2
76.18340	0.3
171.54231	0.3
171.67207	0.3
290.08130	7.7
302.08069	2.1
304.06003	6.4
308.09167	17.4
318.07578	9.7
319.08386	53.9
334.10724	100.0
336.12341	0.4
338.13202	0.3
368.07422	0.4
617.76331	0.3
676.23871	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97808	0.3
62.70215	0.2
65.33569	0.2
67.64020	0.2
75.36788	0.2
77.89575	0.3
79.46294	0.3
146.20656	0.3
202.32820	0.3
260.13046	0.3
276.06592	0.3
290.08063	8.0
302.08136	2.3
303.09003	0.3
304.06033	7.0
318.07581	11.4
318.11115	0.5
319.08386	51.4
334.10721	100.0
406.08740	0.3
422.86697	0.3
426.20206	0.3
496.17645	0.5
597.53986	0.3
676.23865	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03776	0.4
63.52654	0.4
69.44230	0.4
77.27823	0.4
86.64328	0.4
89.75977	0.4
92.16519	0.4
290.08066	9.8
302.08228	1.0
304.06052	9.2
318.07565	11.9
319.08359	53.4
334.10709	100.0
444.20901	0.5
505.36090	0.5
531.24359	0.5
676.23834	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12887	1.0
55.05521	2.7
59.04981	1.1
64.51858	1.2
67.05505	7.8
69.03392	1.3
69.07081	1.7
79.05479	5.9
79.88685	1.2
81.07051	8.4
85.06548	1.4
87.61331	1.3
91.05476	2.8
93.07047	8.6
95.04955	2.7
95.08597	7.1
97.06518	1.3
105.07018	6.5
107.08626	4.5
109.06516	1.5
109.10149	1.7
119.08572	7.0
121.10144	6.1
133.10104	8.1
137.05960	2.2
143.08630	1.5
145.10136	3.2
147.11601	4.5
151.11198	2.5
159.11691	2.2
165.05481	7.5
174.05518	5.9
184.07303	1.7
190.05063	1.5
279.08893	1.9
293.21051	2.5
307.08417	2.6
322.07095	6.9
323.07907	1.6
333.06140	1.4
336.04794	5.7
336.08566	2.9
336.12210	2.0
338.10251	10.4
348.08350	1.3
351.07422	14.5
366.09698	100.0
384.10739	65.4
676.30670	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05511	6.4
67.05514	28.0
68.66956	2.8
69.03417	4.6
69.07059	4.3
71.04971	3.9
73.02905	25.4
79.05495	16.0
81.03407	29.3
81.07056	36.1
83.33094	2.7
85.02905	5.8
91.05485	13.5
93.07046	42.5
95.08591	32.1
97.02884	7.1
97.06532	3.5
97.10149	4.3
99.04458	100.0
105.07034	17.0
107.08595	16.9
109.02882	4.4
109.06490	3.0
109.10143	17.7
111.04427	4.2
117.06998	6.0
119.08601	21.5
121.06482	19.8
121.10128	18.1
127.03903	5.3
129.07086	5.1
131.08577	16.2
133.10126	12.7
135.11652	4.2
140.17299	3.1
145.10175	6.7
147.11679	6.4
148.65631	3.2
149.13283	6.7
157.10127	5.8
159.11703	13.9
161.09544	3.6
171.11708	13.0
173.13313	5.9
185.13268	3.7
187.14804	4.1
201.16365	3.6
243.08687	11.8
303.23337	4.2
341.78961	3.8
351.23154	3.9
360.51431	3.5
369.24265	12.3
387.25253	4.5
405.26309	6.4
467.28140	7.3
485.28903	15.5
500.22830	3.4
503.30054	7.0
521.31146	4.0
676.40680	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40266	1.2
53.03949	8.8
55.01852	1.7
55.05519	6.4
57.03445	1.9
62.42539	1.2
67.05511	18.2
69.03424	6.4
69.07076	9.7
71.04975	5.3
73.02909	21.8
79.05495	10.4
79.99644	1.3
81.03428	19.7
81.07058	25.6
83.04990	7.7
83.08613	8.8
85.02904	6.9
87.04469	6.7
91.05476	9.9
93.07037	16.9
95.04979	6.2
95.08604	19.2
97.02911	10.4
97.06522	2.3
97.10193	1.7
99.04462	100.0
99.08109	1.4
100.68308	1.4
101.06012	5.4
103.34015	1.2
105.07049	14.5
107.08612	12.6
109.02873	3.0
109.06519	5.4
109.10152	14.7
111.04460	3.1
111.08080	1.6
117.06997	6.0
119.08584	15.7
121.06513	2.4
121.10131	12.0
123.08033	1.8
123.11713	2.9
125.09614	2.1
127.03935	8.8
129.07002	2.3
131.08591	11.3
133.06421	1.5
133.10143	12.0
135.11691	9.9
137.09656	1.5
137.13222	1.7
141.05470	2.9
143.08531	2.5
145.10127	10.0
147.08061	1.7
147.11725	5.3
148.05251	1.5
149.09669	2.3
149.13283	3.0
151.11247	2.1
157.10141	5.7
159.11697	6.7
161.13260	3.0
163.14792	1.6
171.11667	2.6
173.13206	2.8
175.14818	6.9
177.12759	2.1
185.13210	1.8
187.14819	1.8
199.14871	2.7
201.16370	2.9
213.16330	2.5
215.14282	1.9
243.08603	12.1
245.22609	2.0
253.87929	1.6
263.23737	2.9
303.23035	1.9
321.24118	1.7
321.97092	1.6
329.24362	1.4
343.26630	1.8
353.24728	3.2
371.25824	9.5
388.90500	1.7
389.26678	9.4
407.27869	7.9
469.29520	10.6
487.30502	24.5
505.31552	26.5
662.78235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
69.03434	0.2
70.95164	0.2
83.04986	10.1
85.02897	0.5
92.13661	0.2
95.92974	0.2
109.58838	0.2
111.04438	14.5
111.05209	0.5
113.64651	0.2
115.19568	0.2
127.03989	0.3
129.05464	0.9
145.76997	0.2
153.01816	1.1
153.05469	5.1
158.48619	0.2
171.06555	1.2
194.17374	0.2
231.08607	6.5
242.05716	0.4
270.05188	2.1
285.07562	100.0
312.43762	0.2
319.71121	0.2
447.12921	4.8
530.36230	0.2
539.15198	0.8
659.20306	0.3
671.87366	0.2
677.20673	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54064	0.2
51.47453	0.2
52.98169	0.2
55.05509	0.5
69.03432	0.2
70.74562	0.2
71.01446	0.2
76.55513	0.2
83.04984	10.1
85.02898	0.4
108.97778	0.2
111.03698	0.5
111.04443	10.2
129.05478	1.1
153.05455	3.7
171.06566	1.8
213.07553	0.4
231.08640	5.9
240.23517	0.3
270.05151	1.8
285.07556	100.0
447.12854	6.4
539.14923	0.4
599.17224	0.4
677.20685	10.5
702.04974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86129	0.6
59.68479	0.7
63.15272	0.7
72.98478	0.8
73.71755	0.8
97.31593	0.8
134.86107	0.8
174.05527	5.0
188.85091	0.9
195.78421	0.8
204.24419	0.9
217.00002	0.8
227.15932	0.8
248.07108	4.6
249.07854	13.1
251.05855	0.9
277.07349	9.5
278.08206	1.2
285.07660	1.4
290.08084	1.2
292.06082	3.3
293.06970	3.2
294.07724	5.3
305.06799	10.9
306.07584	49.1
307.08411	20.7
308.05594	3.6
308.08871	1.0
309.06467	1.4
321.10135	3.0
322.07117	38.0
322.10373	2.7
323.07895	46.2
324.08777	5.3
338.10208	100.0
339.11075	4.8
340.11652	6.2
677.21338	73.0
677.31604	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.212
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07085	2.2
86.04306	2.1
93.07033	3.1
116.21902	2.1
117.25992	2.4
119.08582	2.2
136.93600	2.4
147.29124	2.3
174.05490	3.8
231.87874	2.4
248.06866	3.5
249.07809	9.9
277.07343	13.3
305.06821	12.0
306.07617	57.5
307.08298	21.1
308.05444	2.7
320.09195	2.7
321.09836	3.0
322.07104	40.6
322.10504	6.6
323.07837	42.4
324.08649	4.5
334.10669	2.7
338.10172	100.0
339.11053	2.7
340.11621	3.5
600.71497	2.8
677.21350	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58952	0.7
57.88594	0.7
61.71474	0.7
62.98143	0.9
68.66901	0.7
78.94872	0.9
96.19456	0.8
97.29641	0.8
111.15546	0.8
114.18320	1.0
115.36924	0.7
126.60764	0.9
140.88242	0.8
174.05565	5.1
182.98695	0.8
213.44298	0.9
248.07083	2.1
249.07811	12.6
276.06610	0.9
277.07266	10.7
292.06042	1.4
293.06882	1.4
293.10251	1.1
294.07709	1.6
294.73389	0.9
305.06772	9.5
306.07568	50.7
307.08362	15.6
308.05554	3.5
310.10855	1.0
321.10196	4.0
322.07092	39.1
322.10431	2.7
323.07880	48.8
324.08771	5.7
338.10199	95.2
339.11160	4.0
340.11777	7.3
378.70560	1.0
677.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73546	1.0
64.98933	0.9
68.77282	0.9
74.14049	0.9
82.32226	0.8
95.97295	0.9
174.05443	2.7
186.05615	1.4
187.06377	1.0
219.20193	0.9
248.07117	3.7
249.07832	12.2
277.07266	8.6
278.08313	1.0
292.06027	1.2
293.06940	1.7
294.07690	4.4
305.06790	11.1
306.07602	51.1
307.08368	19.2
308.05612	4.1
308.09052	1.3
321.09955	2.0
322.07117	44.0
322.10715	3.8
323.07895	41.2
324.08621	7.5
325.09161	1.2
338.10199	100.0
339.11108	4.0
340.11905	8.1
378.96075	0.9
677.21320	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36134	2.5
52.93032	2.6
53.52607	2.2
56.09030	2.3
58.06609	48.2
61.99488	2.3
66.33861	3.0
70.88363	2.7
74.78716	2.8
75.04341	3.0
95.08579	3.1
192.10176	49.2
207.07982	3.9
264.07880	4.4
319.08441	3.3
320.09048	14.9
321.09723	10.4
322.07172	6.5
324.05765	3.4
326.13452	3.6
334.10718	14.1
335.11053	3.6
336.08615	11.5
336.12213	5.5
337.09357	13.3
338.09845	4.0
352.08313	3.3
677.24554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17911	0.1
50.25969	0.2
54.33969	0.2
56.44241	0.2
70.06538	0.3
100.08483	0.2
180.84505	0.2
204.03651	0.2
220.96046	0.2
226.22511	0.2
227.77049	0.3
232.93677	0.2
264.04153	0.2
290.08090	9.1
297.01245	0.2
302.08105	3.2
303.08884	0.7
304.06030	8.9
304.09479	0.4
308.09027	0.9
318.03806	0.4
318.07571	12.0
319.08374	57.5
320.05579	0.3
320.09030	1.9
321.09506	1.2
323.11591	0.2
334.10715	100.0
335.11151	0.3
336.08652	3.4
336.12238	0.8
337.12485	0.5
338.13925	0.3
339.14163	0.4
416.33749	0.2
677.24829	41.8
683.68445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83469	0.2
62.21438	0.2
70.65678	0.2
83.70291	0.2
86.46140	0.2
94.13372	0.2
110.87061	0.2
142.39603	0.2
253.39772	0.2
263.23306	0.3
275.05496	0.3
278.04538	0.4
292.06061	8.6
304.05728	0.4
306.04111	0.4
319.08389	0.3
320.05527	10.2
320.08771	0.5
321.06302	22.4
334.10843	1.2
336.08658	100.0
361.26697	0.3
380.28082	0.3
651.93036	0.3
677.25085	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
83.59694	0.2
86.45339	0.2
86.61492	0.2
135.24908	0.2
179.72513	0.2
183.50723	0.3
275.05753	0.4
292.06042	9.6
304.06039	0.3
307.04510	0.2
320.05502	10.6
321.06314	22.7
334.10837	0.3
336.08661	100.0
405.10782	0.2
495.09021	0.2
677.24933	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31738	0.2
55.96540	0.2
58.06615	0.2
63.03684	0.2
66.10525	0.2
83.32145	0.2
177.05470	0.3
189.69678	0.3
191.17511	0.2
219.06616	0.3
252.15556	0.2
253.88708	0.3
278.04361	0.3
292.06018	9.8
292.09207	0.5
304.06015	0.4
306.03949	0.8
306.07190	0.3
307.04657	0.5
319.08466	0.5
320.05521	11.1
320.09024	0.9
321.06302	22.2
334.10706	1.8
336.08649	100.0
338.10068	0.4
339.10370	0.3
340.11090	0.3
467.51614	0.2
677.24841	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	1.1
58.89595	0.5
63.24463	0.5
71.99612	0.5
78.14008	0.6
80.65096	0.5
92.21590	1.4
96.71342	0.7
96.96301	0.7
100.29230	0.5
105.49155	0.7
118.21935	0.6
143.55148	0.6
181.08600	1.1
200.63748	0.6
222.79088	0.6
278.08371	0.8
290.08109	9.4
302.08203	2.7
304.05978	7.7
307.08585	0.6
308.09180	1.1
318.07642	12.1
319.08389	54.4
320.09076	5.0
321.09595	1.4
322.10730	1.1
334.10733	100.0
335.11136	4.0
336.12488	2.7
352.15561	1.2
392.74863	0.9
553.48669	0.7
677.24799	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	65.7
59.23215	2.1
63.44271	1.8
104.09839	2.2
108.41570	2.1
111.73243	2.1
140.90199	2.2
192.10205	2.9
207.08006	7.5
239.10509	2.5
252.07817	3.1
253.08707	2.9
264.07767	3.6
265.08661	2.2
267.10190	2.9
295.09543	4.3
303.23465	2.1
308.09064	3.6
314.10040	2.4
319.08447	8.0
320.08981	4.6
322.07016	5.0
322.10583	3.6
334.07199	2.1
334.10550	18.8
336.08624	8.4
336.12372	4.0
337.09406	13.9
352.08087	10.2
487.56079	2.3
647.19135	3.1
663.00995	2.9
677.24701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46848	0.4
66.93777	0.5
89.48295	0.5
95.16350	0.5
115.62560	0.6
175.04039	0.7
176.92807	0.6
207.06552	1.0
217.88805	0.5
278.52261	0.6
292.06024	11.4
319.08365	2.7
320.05600	13.7
320.09045	1.5
321.06314	23.9
321.09491	1.5
334.10684	7.1
335.11230	0.9
336.08667	100.0
337.12650	1.1
477.23358	0.6
677.23541	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86522	0.5
63.36136	0.5
65.81944	0.5
66.26365	0.4
67.17374	0.4
67.19461	0.4
72.48784	0.5
75.88731	0.5
79.04954	0.6
82.48131	0.6
87.92947	0.6
109.84374	0.5
115.00755	0.6
170.73909	0.6
177.05559	0.6
208.62610	0.5
259.76981	0.7
268.58453	0.6
268.80035	0.6
290.08124	8.6
302.08157	2.8
304.05972	8.6
308.09238	2.2
318.07559	12.9
319.08377	52.8
320.09042	4.4
321.09683	0.9
334.10715	100.0
335.11060	3.2
336.12244	1.1
677.24719	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33281	0.4
78.61791	0.5
86.58658	0.5
109.52975	0.5
130.11404	0.5
176.29620	0.6
196.95934	0.5
203.85535	0.6
290.08148	10.1
302.08127	2.2
304.06046	8.0
308.09021	0.8
309.09552	0.6
318.07559	13.0
319.08377	52.8
320.09106	3.1
321.09683	1.2
323.11426	2.1
324.12140	2.8
334.10706	100.0
335.11234	2.0
336.08603	3.3
336.12439	2.4
337.12619	2.1
338.13828	1.3
339.14313	0.8
441.23145	0.6
495.16321	0.5
657.30884	0.6
677.24725	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29110	1.0
55.25596	0.8
66.79323	1.1
69.07088	1.1
73.70075	1.0
81.07053	1.6
83.79332	1.1
107.08604	1.4
111.60379	1.1
121.10159	1.5
122.28694	1.1
223.09381	1.2
270.49799	1.0
433.24274	1.9
435.25659	1.6
447.21570	1.6
459.21466	7.6
460.22394	7.4
461.23361	13.0
473.23734	2.5
487.25204	2.4
489.26761	1.5
505.21857	2.3
507.27640	1.5
517.25934	1.4
533.25500	16.6
535.27075	6.0
589.31763	6.3
593.27808	8.2
599.30225	2.1
617.31201	23.1
677.33313	100.0
677.44647	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08520	1.8
52.67688	1.7
54.17164	1.7
61.97993	2.1
81.63171	2.1
88.61842	1.9
93.21558	2.2
124.10503	2.2
126.37538	2.2
226.08824	2.4
247.40327	2.5
264.45441	2.4
279.66309	2.5
363.89999	2.6
447.26880	2.9
459.21655	14.6
460.22443	17.1
461.23233	12.2
473.23111	4.4
487.24857	3.5
517.25848	3.9
533.25568	30.3
565.14880	3.3
593.27393	10.5
617.31171	31.2
677.22534	4.0
677.33362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51339	2.7
77.45675	2.7
101.07196	3.2
171.76535	2.9
215.00415	2.8
353.32715	2.9
433.24142	4.9
459.21503	12.0
460.22372	14.1
461.23148	6.1
473.23209	5.6
487.24719	3.4
533.25580	20.3
617.31183	29.8
677.33221	100.0
677.44934	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62913	0.6
55.52017	0.6
86.91533	0.7
92.21574	0.8
121.72189	0.7
132.10284	3.0
215.10728	1.3
218.96527	0.8
300.28885	1.0
320.09094	1.3
321.09760	2.8
322.10522	1.6
323.10928	1.4
336.12241	14.1
337.12680	11.2
347.09711	1.0
465.44138	0.9
515.31921	35.8
677.37347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77734	0.6
54.17897	0.6
80.98790	0.7
91.49681	0.8
112.21928	0.9
130.78337	0.8
202.45100	0.9
203.05234	1.2
214.39207	0.9
323.11008	1.1
334.15869	1.0
337.12570	1.5
347.09595	1.0
365.10678	4.0
397.15057	1.0
515.31958	27.6
677.37061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84715	0.8
61.70570	0.7
70.72643	0.9
79.05534	0.9
89.55291	0.8
150.10880	0.9
157.15291	1.0
175.96045	0.9
184.36382	0.9
218.36478	1.0
277.08932	54.7
387.88300	0.8
458.46634	0.9
617.21301	1.0
645.20441	6.1
677.37122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53244	2.9
55.36472	2.7
59.71188	3.0
61.02913	3.5
67.05514	8.1
77.48971	3.1
79.05512	8.4
81.07063	26.9
81.75193	3.6
83.04976	6.7
85.02892	7.8
91.03947	4.4
93.07027	16.6
95.08586	24.9
98.51540	3.8
105.07057	5.2
107.08585	20.2
109.10131	4.1
111.04404	5.9
121.10174	12.9
131.08575	6.1
135.11681	7.1
145.10049	6.1
147.44086	3.8
163.14816	3.9
183.08186	3.6
187.14854	4.2
208.92508	3.7
243.21049	15.2
246.81934	3.8
261.22092	25.2
285.07562	68.7
320.05807	3.9
320.09186	100.0
321.09506	99.5
334.10309	4.6
336.12225	30.8
337.12726	20.2
353.26913	36.0
353.30682	4.7
366.09766	4.6
384.73581	3.6
496.90970	4.3
497.31433	4.9
677.21088	5.9
677.31525	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
54.20531	0.5
54.76375	0.4
55.05528	3.8
57.03446	2.3
57.07087	1.2
61.02934	6.7
67.05511	19.4
69.03436	0.9
69.07079	3.7
69.35448	0.5
71.04975	0.6
71.08638	2.2
73.02924	3.2
79.05494	12.5
81.03431	2.3
81.06616	1.0
81.07066	22.3
83.04990	12.2
83.08614	3.4
85.02914	9.2
85.06544	2.2
91.03960	8.8
91.05491	5.1
93.07047	17.2
95.04980	2.1
95.08604	18.5
97.02892	4.1
97.06555	1.0
97.10155	2.3
99.04441	0.6
99.08038	0.8
105.07037	6.4
107.04974	0.5
107.08599	14.3
109.06531	1.2
109.10154	10.0
111.04452	12.7
111.08077	0.6
111.11698	0.6
113.09589	0.9
115.03905	0.6
117.07005	3.1
119.08587	6.5
121.10142	15.4
123.08045	0.6
123.11691	3.7
125.09624	0.6
126.07455	0.5
127.03899	2.1
128.83844	0.5
129.05505	1.1
129.06981	0.6
131.08562	9.3
133.10110	6.2
135.11687	11.8
137.09686	0.6
137.13266	0.9
143.08551	1.0
145.04962	2.7
145.10121	7.5
147.11661	6.0
149.09644	1.3
149.13280	9.0
151.14822	0.9
153.05476	3.2
155.08580	0.7
157.10089	0.7
159.11699	6.3
161.13249	5.3
163.06030	2.8
163.11154	2.2
163.14818	4.9
169.10023	0.6
171.06544	3.1
173.13237	4.8
175.14832	2.2
177.16389	3.9
185.13243	0.8
187.11113	0.6
187.14822	3.2
191.14326	0.7
201.16333	0.7
205.15947	0.6
218.22925	0.6
231.08664	5.2
233.22627	2.2
242.63217	0.5
243.21060	10.6
261.22113	28.7
270.05121	2.4
285.07574	100.0
303.23251	0.9
320.09195	0.9
321.09662	2.4
322.10486	0.8
335.25742	3.3
336.12332	6.7
337.09253	0.8
337.12811	2.1
338.10382	0.6
338.14063	0.9
353.26843	29.8
365.26642	1.1
369.24023	0.8
377.26917	0.8
431.28271	0.9
443.27856	3.5
447.12677	3.1
461.28952	2.6
479.29932	3.2
497.31268	8.1
677.20471	7.9
677.32312	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42712	3.4
57.06486	2.7
57.07080	4.5
60.42033	3.5
61.02918	19.8
67.05505	47.0
69.07054	7.4
73.02934	4.8
79.05498	42.0
81.07060	54.4
83.04977	6.9
85.02894	23.4
85.10115	3.8
91.03947	23.3
91.05483	16.8
93.07042	58.7
95.08600	52.6
97.02877	4.6
105.07018	7.6
107.08598	40.0
107.49089	3.7
109.10162	20.8
111.04411	6.0
117.07028	4.7
119.08582	19.0
121.06376	3.9
121.10136	53.6
123.11730	4.6
127.03900	4.9
131.08565	26.9
133.10115	15.7
135.11690	27.4
145.04967	6.6
145.10127	22.6
147.11671	14.4
147.94389	3.3
149.13229	24.7
151.14742	4.4
152.75642	3.7
159.11667	14.8
161.13223	6.8
163.05965	6.2
163.14827	21.2
169.06392	3.6
173.13196	15.2
177.16316	7.1
187.14883	7.2
209.32181	3.4
236.81758	3.8
240.55295	3.8
243.21057	39.3
261.22119	83.7
285.07535	100.0
320.09027	43.3
321.09494	41.4
335.25577	13.7
336.12216	22.9
353.26846	92.3
377.27026	5.4
443.27899	6.7
461.28986	8.4
479.29626	5.0
497.31021	18.3
580.28601	4.9
677.20544	5.9
677.34003	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.1
57.03441	3.7
57.07079	6.5
61.02930	25.5
65.89498	2.9
66.50165	2.6
67.05510	60.2
69.03408	3.4
69.07061	6.4
73.02891	10.7
79.05505	35.8
81.07060	89.3
83.08632	4.3
85.02905	32.6
86.64939	2.6
90.19858	2.9
91.03934	35.3
91.05457	14.5
93.07041	65.8
95.04984	3.7
95.08607	73.7
97.02876	16.1
105.07022	15.5
107.08579	59.0
109.10154	57.4
117.07014	11.2
118.08660	2.4
119.08566	19.3
121.10143	49.0
123.11687	22.5
127.03944	4.2
131.08566	22.8
133.10109	16.7
135.11681	41.3
137.13237	5.6
145.04984	11.2
145.10124	22.5
147.11685	18.2
149.09586	3.3
149.13240	37.4
159.11678	20.4
161.13260	18.6
163.06055	20.0
163.14803	19.0
173.13249	22.7
175.14842	3.5
175.43788	2.9
177.16367	5.3
187.14713	6.4
201.16235	3.6
215.18057	2.8
243.21057	37.1
243.71898	2.8
261.22104	100.0
285.07455	32.0
287.71994	2.9
313.27002	3.1
335.25964	20.7
336.12015	3.1
353.26865	81.6
414.21313	3.5
481.24139	3.0
683.61548	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.2
57.03443	8.4
57.07090	3.9
61.02935	17.6
61.47165	1.7
67.05511	71.0
69.03427	3.0
69.06714	1.8
69.07050	14.6
71.05004	2.7
73.02923	8.4
75.04482	2.6
79.04786	1.6
79.05502	36.6
81.07063	100.0
81.07552	3.2
83.08616	12.2
85.02908	21.9
85.83541	1.6
91.03958	29.6
91.05476	17.2
93.06475	3.1
93.07047	58.3
95.04974	2.4
95.07996	2.7
95.08609	81.4
97.02887	13.0
97.06544	6.9
97.10165	6.8
99.08121	2.2
105.07041	17.7
107.08601	46.9
109.06496	1.6
109.10162	46.2
111.08085	2.3
117.07016	11.1
119.08582	21.7
121.10149	48.1
123.11720	20.9
127.03922	7.5
131.08577	24.3
133.10114	18.6
135.11690	44.6
137.09634	2.9
137.13255	8.3
137.25723	1.6
145.04970	9.6
145.10127	18.0
147.11713	16.1
149.13252	32.1
151.11150	2.5
151.89453	1.7
159.11699	19.5
161.13258	11.9
163.06070	12.9
163.14809	14.8
173.13252	17.6
175.14850	3.7
177.16388	7.4
187.14798	13.5
243.21078	26.9
261.22119	83.8
279.23199	6.4
285.07578	20.7
291.28336	1.8
320.09042	3.3
335.25751	30.6
336.12170	2.9
353.26840	84.8
497.30972	15.5
659.36487	2.1
677.33124	3.8
692.30969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.5
57.03440	6.8
61.02927	25.3
62.87815	4.0
67.05506	77.5
69.07067	10.0
73.02934	4.1
79.05494	28.6
81.07065	100.0
83.08621	7.7
85.02899	29.3
91.03962	31.8
91.05482	16.5
93.07046	56.6
95.08614	81.9
105.07021	22.2
107.08594	66.9
109.10153	56.3
117.06986	5.4
119.08565	23.3
121.10123	46.0
123.11700	7.1
127.03914	6.6
131.08595	31.6
133.10124	23.1
135.11737	38.4
145.05014	7.0
145.10094	7.6
147.11682	20.3
149.13243	44.8
159.11674	16.8
161.13275	10.3
163.06030	8.3
163.14819	9.4
173.13258	17.6
177.16461	5.9
187.14841	8.3
191.03992	5.7
243.21060	35.3
261.22153	83.6
319.08362	6.5
334.10880	10.0
335.10870	6.3
335.25742	34.1
353.26895	91.4
413.14157	4.4
497.30933	17.0
521.22198	19.8
521.73187	5.6
602.00128	5.4
677.22437	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02377	3.6
57.07060	3.6
57.43760	3.6
61.02935	5.5
67.05503	28.1
68.21884	3.8
69.07061	5.2
75.42895	4.5
77.37913	4.1
77.48400	3.6
79.05492	8.4
81.07052	32.6
83.04967	4.8
83.08628	4.1
85.02921	15.5
91.03941	4.5
91.05472	7.3
93.07046	29.6
95.08598	30.2
97.02892	5.0
105.07004	5.1
107.08631	32.4
109.10168	17.4
111.04415	17.1
119.08588	6.8
121.10172	16.3
123.08176	4.0
123.11703	5.5
131.08511	13.7
133.10161	4.6
135.11696	18.9
145.10120	18.3
147.11716	6.0
149.13264	7.5
159.11674	9.6
163.14806	8.7
171.35030	4.0
173.13277	9.4
187.14871	4.5
231.08618	5.9
243.21013	9.3
261.22101	29.6
285.07559	100.0
320.09164	50.9
321.09631	42.9
336.12314	34.4
337.12692	21.9
353.26978	48.9
447.12411	4.6
497.30841	9.8
628.16510	4.6
677.32428	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00064	0.5
54.89542	0.5
55.05516	1.0
59.54558	0.5
60.54506	0.4
66.66894	0.5
69.07085	1.0
72.08160	12.4
81.07082	0.6
86.09709	74.5
90.56873	0.6
91.05481	1.1
103.05409	0.9
105.07022	3.0
110.57645	0.5
120.08102	100.0
130.06493	5.0
131.07318	1.0
132.08034	0.9
132.10181	0.6
140.14326	9.3
142.43921	0.5
174.12784	27.7
188.14326	13.2
194.24017	0.6
219.14917	1.1
222.12759	17.9
232.92708	0.6
233.16487	18.2
234.14853	0.7
261.15970	1.3
279.17004	1.1
284.22134	3.0
287.21204	7.3
290.21210	6.6
318.20673	0.9
321.19739	0.8
335.21182	2.5
349.19116	1.3
353.25833	1.0
378.23456	0.6
399.26508	2.7
403.29507	3.7
417.27432	8.1
431.28860	2.5
502.36172	2.3
530.35565	3.3
536.34528	0.7
550.36407	13.1
564.34399	10.9
578.35925	10.0
604.40820	2.4
632.40332	2.8
649.43286	35.9
677.42657	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60065	0.5
58.14033	0.5
69.07059	0.7
69.10540	0.5
71.08608	0.4
80.71559	0.5
81.07098	0.6
83.08614	0.5
95.08584	0.8
99.08111	0.6
366.40918	0.6
376.01834	0.6
561.41272	5.5
617.43903	4.7
677.45990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45986	0.9
56.31414	1.0
63.86305	1.1
184.00169	1.2
234.22232	1.5
244.56451	1.2
328.16443	1.1
339.61716	1.4
537.25427	1.4
561.41107	11.0
587.20624	1.4
617.43823	2.6
677.45996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12865	0.1
70.53635	0.1
92.21523	0.2
98.68322	0.1
100.04226	0.1
211.29070	0.1
218.09251	0.1
263.96930	0.1
290.08044	0.5
292.09668	3.8
293.06967	0.2
307.08481	0.2
308.09177	5.8
318.07697	0.7
319.08438	0.5
320.09180	100.0
334.10809	1.7
336.08664	24.4
338.06696	0.3
632.18671	0.2
678.22339	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58681	0.7
61.46299	0.7
61.51564	0.6
64.75276	0.6
73.82787	0.8
99.04431	1.6
108.98857	0.7
111.04398	1.0
121.06556	1.1
137.06018	0.7
167.06952	1.0
177.05496	2.9
206.04718	1.0
257.87338	0.8
273.95117	0.7
286.07901	1.5
291.71002	0.8
292.09680	0.9
296.09158	4.1
304.37802	0.7
307.08252	1.7
308.09213	1.0
310.07077	31.2
310.10727	1.1
319.08463	1.4
320.09003	2.7
321.09912	1.6
325.09424	100.0
334.10706	6.6
336.12302	11.8
340.11771	68.4
385.14990	1.0
527.31659	0.8
660.27789	1.3
678.21674	73.6
678.31720	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04857	0.3
53.69726	0.3
58.75852	0.3
60.06828	0.3
79.43267	0.3
82.83815	0.3
83.93938	0.3
86.01263	0.3
89.67775	0.4
93.51220	0.4
106.86197	0.4
113.07203	0.5
177.46170	0.4
181.28642	0.4
208.81465	0.3
224.81100	0.4
275.27597	0.4
278.08102	68.4
290.08105	0.7
291.08633	0.6
292.09634	8.8
304.06277	1.1
304.09662	5.9
306.07581	100.0
307.08374	9.9
308.09113	4.6
318.07666	0.8
319.08340	4.9
320.09155	12.9
321.09912	25.0
334.10706	8.5
335.10931	3.2
336.12265	88.0
354.09616	0.7
357.54596	0.4
454.64389	0.4
498.15378	5.3
516.15771	0.6
678.21729	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12865	0.1
70.53635	0.1
92.21523	0.2
98.68322	0.1
100.04226	0.1
211.29070	0.1
218.09251	0.1
263.96930	0.1
290.08044	0.5
292.09668	3.8
293.06967	0.2
307.08481	0.2
308.09177	5.8
318.07697	0.7
319.08438	0.5
320.09180	100.0
334.10809	1.7
336.08664	24.4
338.06696	0.3
632.18671	0.2
678.22339	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57707	0.2
80.42454	0.2
107.04641	0.2
209.15494	0.3
278.08102	73.6
290.07816	0.3
291.08731	0.6
292.09726	0.9
304.06412	0.4
304.09650	4.4
306.07587	100.0
307.08380	8.6
307.11746	0.3
308.09119	3.5
319.08331	1.8
320.09055	3.6
321.09799	4.0
334.10736	2.6
335.11142	2.3
336.12241	12.2
444.71777	0.3
486.15222	0.3
498.15353	3.6
516.16193	0.4
678.21735	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
73.74839	0.2
74.03312	0.2
78.25372	0.2
90.81101	0.2
98.73833	0.3
101.97115	0.2
176.89966	0.2
187.56763	0.2
191.08833	0.2
230.52075	0.2
271.69455	0.2
291.08789	0.3
293.06772	0.9
303.44788	0.2
306.07175	0.2
308.09161	23.7
318.07834	0.3
319.08444	1.7
320.09103	2.7
321.09897	0.3
322.07159	0.4
334.10666	2.9
335.11023	0.5
336.08655	100.0
337.12659	0.3
456.38202	0.3
575.78143	0.2
678.21857	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71159	0.3
73.75644	0.3
89.29323	0.4
116.94691	0.3
165.05396	0.4
167.06975	0.7
177.05458	0.4
178.04922	1.4
181.04887	2.2
199.94946	0.3
207.06476	0.6
210.67226	0.3
229.52528	0.3
235.09660	0.8
278.08109	66.3
304.09531	0.7
306.07596	100.0
307.08484	1.4
308.09186	3.1
320.09375	2.4
321.09644	0.8
322.10492	0.4
334.10736	1.2
335.11038	0.5
336.12274	1.7
339.07236	0.4
352.08118	4.1
354.09677	3.2
370.09073	3.2
470.16318	1.2
480.68561	0.4
498.15353	0.7
516.15137	0.8
678.21777	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27645	0.2
55.77005	0.2
66.62923	0.2
75.33497	0.2
80.04166	0.2
123.28821	0.2
130.95146	0.2
152.66396	0.2
191.06969	0.3
269.29175	0.3
273.65085	0.3
275.09509	0.3
278.08099	38.1
292.09637	9.1
304.09625	4.1
306.07584	56.2
307.08414	4.9
308.09042	2.3
320.09119	9.8
321.09940	28.6
334.10764	0.4
335.11182	0.4
336.12277	100.0
362.13742	0.3
498.15472	2.1
516.16559	0.4
555.14514	0.3
678.21899	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71159	0.3
73.75644	0.3
89.29323	0.4
116.94691	0.3
165.05396	0.4
167.06975	0.7
177.05458	0.4
178.04922	1.4
181.04887	2.2
199.94946	0.3
207.06476	0.6
210.67226	0.3
229.52528	0.3
235.09660	0.8
278.08109	66.3
304.09531	0.7
306.07596	100.0
307.08484	1.4
308.09186	3.1
320.09375	2.4
321.09644	0.8
322.10492	0.4
334.10736	1.2
335.11038	0.5
336.12274	1.7
339.07236	0.4
352.08118	4.1
354.09677	3.2
370.09073	3.2
470.16318	1.2
480.68561	0.4
498.15353	0.7
516.15137	0.8
678.21777	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12875	0.2
57.42915	0.2
58.06592	0.2
69.21502	0.2
70.06615	0.3
86.09720	0.4
92.42062	0.2
93.06971	0.2
97.02950	0.2
99.04430	0.4
118.10093	0.2
123.45549	0.2
158.74046	0.2
176.07106	0.3
206.21677	0.2
258.33862	0.2
284.10367	0.2
290.07788	0.3
292.09631	2.7
309.09552	0.4
319.08081	0.2
320.09167	100.0
322.10461	0.3
334.10632	0.9
336.12183	1.4
337.09338	0.2
352.11575	0.2
394.12872	0.2
559.89642	0.2
588.18353	0.4
678.21552	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04857	0.3
53.69726	0.3
58.75852	0.3
60.06828	0.3
79.43267	0.3
82.83815	0.3
83.93938	0.3
86.01263	0.3
89.67775	0.4
93.51220	0.4
106.86197	0.4
113.07203	0.5
177.46170	0.4
181.28642	0.4
208.81465	0.3
224.81100	0.4
275.27597	0.4
278.08102	68.4
290.08105	0.7
291.08633	0.6
292.09634	8.8
304.06277	1.1
304.09662	5.9
306.07581	100.0
307.08374	9.9
308.09113	4.6
318.07666	0.8
319.08340	4.9
320.09155	12.9
321.09912	25.0
334.10706	8.5
335.10931	3.2
336.12265	88.0
354.09616	0.7
357.54596	0.4
454.64389	0.4
498.15378	5.3
516.15771	0.6
678.21729	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04857	0.3
53.69726	0.3
58.75852	0.3
60.06828	0.3
79.43267	0.3
82.83815	0.3
83.93938	0.3
86.01263	0.3
89.67775	0.4
93.51220	0.4
106.86197	0.4
113.07203	0.5
177.46170	0.4
181.28642	0.4
208.81465	0.3
224.81100	0.4
275.27597	0.4
278.08102	68.4
290.08105	0.7
291.08633	0.6
292.09634	8.8
304.06277	1.1
304.09662	5.9
306.07581	100.0
307.08374	9.9
308.09113	4.6
318.07666	0.8
319.08340	4.9
320.09155	12.9
321.09912	25.0
334.10706	8.5
335.10931	3.2
336.12265	88.0
354.09616	0.7
357.54596	0.4
454.64389	0.4
498.15378	5.3
516.15771	0.6
678.21729	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55824	0.3
51.57450	0.3
68.73569	0.4
71.64714	0.3
73.17693	0.3
123.60295	0.3
162.76807	0.4
189.05733	0.7
190.06444	0.7
191.07242	0.5
231.89809	0.3
276.06662	2.6
278.08105	62.7
286.66339	0.5
290.08127	0.8
292.09714	0.5
304.06082	1.5
304.09726	0.8
306.07590	100.0
307.08331	2.3
308.09079	2.1
318.07544	1.5
319.08276	1.6
320.08969	2.7
321.09970	1.4
334.10730	3.5
335.10971	1.4
336.12241	10.2
365.60101	0.4
470.15982	0.8
471.45193	0.5
498.15692	0.7
678.21796	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76103	0.3
57.27149	0.3
57.98254	0.3
61.45026	0.3
98.32583	0.4
98.33245	0.4
105.41107	0.4
199.41728	0.4
278.08109	63.6
291.08853	0.5
304.05960	0.4
304.09464	0.5
306.07590	100.0
307.08276	2.3
308.09128	2.9
319.08408	1.7
320.09134	7.8
321.09711	2.1
322.10703	0.6
323.11215	0.5
324.12219	0.8
325.10257	0.4
334.10870	3.0
335.11179	1.8
336.08551	1.4
336.12250	10.8
470.16263	1.0
498.15396	1.6
678.21771	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53440	0.1
82.28885	0.1
92.21537	0.2
120.96922	0.1
128.10066	0.1
221.68527	0.1
290.08148	0.8
292.09641	3.9
314.07114	0.1
318.07693	0.9
319.08508	0.3
320.09155	100.0
322.10550	0.2
323.11542	0.1
334.10809	1.1
336.12112	1.0
402.32227	0.1
411.90912	0.1
470.16101	0.1
517.36029	0.2
646.20306	0.7
678.23041	5.4
678.33984	0.2
691.79224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65011	0.2
56.79200	0.1
60.78606	0.2
64.58312	0.2
65.76003	0.2
66.81857	0.2
79.84711	0.2
89.22363	0.2
92.61857	0.2
139.05405	0.2
163.05377	0.2
168.20821	0.2
170.00378	0.2
189.05745	0.8
190.06471	1.1
218.06039	0.3
260.06900	0.2
262.08463	0.2
276.06610	1.8
277.07227	0.3
289.03979	0.2
290.08118	1.4
292.09604	3.6
302.08206	0.3
304.06131	0.9
305.06525	0.4
318.07571	1.7
319.08417	1.6
320.09158	100.0
321.09515	0.4
334.10690	2.3
335.11020	0.4
336.12109	1.9
546.39063	0.2
635.17981	0.2
678.23517	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
72.24721	0.2
85.30920	0.2
91.26261	0.2
95.13729	0.2
101.17119	0.1
103.13914	0.2
179.59238	0.2
225.58089	0.2
252.42409	0.2
290.08102	0.3
292.09677	2.9
318.07712	0.7
320.09149	100.0
334.10703	0.2
403.47995	0.2
417.35568	0.2
646.20282	1.0
678.23218	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59824	0.1
55.79972	0.1
56.12108	0.1
58.06552	0.2
66.31228	0.1
69.50406	0.2
81.07030	0.3
85.02872	0.2
87.03096	0.2
92.42119	0.2
99.04418	0.3
110.89783	0.2
110.90666	0.2
117.10931	0.2
123.33860	0.2
137.05940	1.0
226.42445	0.2
240.30777	0.2
241.70047	0.2
245.04427	0.2
254.54529	0.2
261.71442	0.2
263.10776	0.2
273.22183	0.2
277.07394	0.2
290.08038	1.1
291.10059	0.9
292.09622	3.9
301.21558	0.2
302.08246	0.2
304.06085	0.3
308.08820	0.3
310.07034	0.9
315.10062	0.2
318.07553	1.8
319.08328	2.9
319.22839	0.2
320.09137	100.0
322.10736	1.0
323.12769	1.1
325.09381	3.4
334.10727	6.9
335.11118	0.3
336.12134	1.9
337.12350	0.2
337.23734	0.3
340.11697	2.7
524.57178	0.2
559.07062	0.2
678.22937	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49453	0.2
77.89899	0.2
92.48991	0.2
151.50528	0.2
236.59680	0.2
283.03827	0.3
290.08124	1.1
292.09674	3.4
304.06000	0.5
318.07800	1.7
319.08340	3.0
320.09167	100.0
321.09839	1.1
322.10751	0.5
334.10706	7.3
335.10858	0.4
336.08606	0.5
336.12180	3.2
337.12747	0.5
338.13568	0.6
351.11285	0.3
540.80188	0.3
646.20764	1.0
648.18390	0.5
678.22864	10.0
678.33453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87624	0.2
61.64268	0.2
62.95154	0.2
79.04736	0.2
137.05951	0.2
241.90704	0.2
273.07660	0.2
290.08075	0.3
292.09674	3.3
318.07544	1.3
319.08377	0.5
320.09158	100.0
321.09576	0.3
322.10669	0.8
334.10651	2.0
335.11047	0.4
336.12186	1.2
364.57419	0.2
468.10492	0.3
531.74780	0.2
582.85950	0.2
628.20270	0.3
646.20929	2.5
648.18842	0.3
662.20551	0.3
678.23004	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78096	0.6
58.06576	0.6
69.70045	0.5
91.00025	0.6
92.20941	1.4
116.91698	0.7
121.43665	0.7
125.75996	0.6
126.87942	0.6
137.06007	0.7
169.09859	0.7
178.14461	0.8
201.05669	0.7
223.95956	0.7
240.82437	0.7
265.08673	1.1
265.62415	0.6
290.08279	1.2
292.09619	1.5
304.06149	1.2
307.08395	0.8
318.07709	2.4
319.08472	7.4
320.09149	56.6
321.09766	2.6
322.10764	3.3
332.09290	1.2
334.10675	14.3
335.11221	2.8
336.08658	2.2
336.12396	8.7
337.12848	1.1
346.10770	2.7
368.03146	1.0
441.19724	0.7
480.14401	1.2
494.16089	1.1
498.15704	1.2
519.80865	0.7
563.71655	0.8
586.18390	0.7
598.18054	0.8
600.16235	0.8
602.18500	1.2
604.19586	1.4
614.18152	4.4
615.18744	1.4
616.19574	4.3
618.20258	0.8
626.18262	0.8
628.19580	2.9
632.19489	4.8
634.20728	4.7
639.52600	0.7
644.19611	1.0
645.20203	1.1
646.21082	6.6
648.22369	8.0
660.22198	5.0
662.20660	1.3
663.21100	1.3
678.23334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85340	0.2
72.88313	0.2
123.14576	0.3
127.88912	0.3
166.40649	0.3
229.95090	0.2
251.04892	0.2
290.08130	0.4
292.09607	3.5
304.06070	0.3
308.09189	2.1
319.08301	1.8
320.09161	100.0
334.10834	2.4
336.08640	8.6
336.12238	0.9
338.06604	1.9
516.16388	0.3
609.70215	0.3
678.22760	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
75.59239	0.2
88.23685	0.3
91.60226	0.3
102.65843	0.3
119.14037	0.3
134.25143	0.3
147.55280	0.3
186.30893	0.3
214.61909	0.3
290.08047	0.5
292.09555	3.5
299.94702	0.3
304.05997	0.4
318.07529	1.3
319.08429	2.3
320.09161	100.0
321.09689	1.6
322.10611	1.7
334.10699	4.9
335.10971	1.2
336.08871	0.7
336.12296	4.2
337.12701	1.1
338.13574	1.2
410.37723	0.3
439.76111	0.3
646.20679	2.7
648.18445	1.1
678.23236	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64287	0.1
62.07598	0.1
68.58112	0.1
68.94989	0.1
92.09760	0.1
93.12859	0.1
124.05163	0.3
137.05969	1.4
161.05894	0.3
163.68340	0.1
180.07808	0.2
192.55640	0.1
199.07532	0.2
231.08051	0.2
259.07492	0.3
260.08279	0.1
263.10464	0.2
276.07553	0.1
290.07971	0.7
291.10086	0.8
292.09637	3.1
292.70914	0.1
293.06815	0.5
308.05716	0.2
308.09055	1.0
318.07739	0.9
319.08344	1.3
320.09149	100.0
321.09753	0.5
322.07062	1.6
322.10391	0.2
323.12738	0.8
325.09186	0.2
334.10785	1.7
335.11194	0.3
336.12161	1.2
337.12598	0.2
338.13361	0.2
468.10626	1.6
483.13037	1.1
486.11761	2.2
501.14203	2.8
516.16205	1.5
646.20496	1.0
648.18341	0.2
678.22571	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42602	0.1
54.12186	0.1
56.68626	0.1
56.99672	0.1
58.71132	0.1
99.04394	0.3
111.02223	0.2
155.41275	0.1
163.74887	0.2
167.07025	2.3
168.07314	0.8
172.18071	0.1
173.05914	0.3
174.06253	0.2
181.04907	0.6
182.05243	0.2
205.08496	0.2
230.49048	0.2
277.07333	0.2
290.08118	0.9
292.09650	3.9
304.05988	0.3
307.08658	0.2
318.07657	1.2
319.08383	1.7
320.09152	100.0
321.09686	0.3
322.10751	0.9
334.10666	3.2
335.11185	0.2
336.12262	1.0
346.10666	0.2
498.15692	0.2
628.20258	0.3
646.19910	0.2
648.22424	0.4
660.22217	0.3
678.23438	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00348	0.1
63.02375	0.2
66.41649	0.1
92.12638	0.1
94.64489	0.1
108.87000	0.1
119.04845	0.1
145.45668	0.1
163.05400	0.5
175.03830	0.1
188.05011	0.2
189.05612	0.2
190.06461	0.5
202.06490	0.2
207.06563	0.2
219.06778	0.2
236.76689	0.1
239.34351	0.1
262.08450	0.2
276.06601	1.6
277.07019	0.6
290.08188	0.8
291.08673	0.2
292.09692	3.6
302.08014	0.1
304.06134	0.4
305.06430	0.2
318.07507	1.4
319.08243	1.1
320.09167	100.0
321.09592	0.3
334.10818	1.0
335.10840	0.2
336.12128	1.2
678.23364	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26564	0.2
66.53574	0.2
69.43031	0.2
70.43374	0.2
76.83808	0.2
90.43366	0.2
91.47672	0.2
210.72844	0.2
260.98828	0.2
264.85016	0.2
278.08084	1.1
292.09702	4.7
304.09537	0.3
306.07516	1.2
308.12875	0.9
318.07303	0.2
319.08170	1.3
320.06076	0.3
320.09134	15.7
321.09946	9.9
334.10843	2.2
335.11057	2.3
336.12277	100.0
543.36011	0.3
678.25378	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89359	0.2
52.78684	0.2
56.51546	0.2
56.55274	0.2
58.16931	0.2
61.87696	0.2
65.28613	0.2
70.42521	0.2
80.59746	0.2
97.91849	0.2
111.45555	0.2
127.03911	0.2
142.34221	0.2
177.05437	0.3
206.37238	0.2
292.09616	2.4
293.10495	0.3
308.12665	1.6
320.09113	9.0
321.09933	5.8
334.10876	0.3
336.12280	100.0
337.12405	0.3
370.37146	0.3
514.97406	0.2
551.33826	0.3
655.30573	0.2
678.25513	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	0.1
82.81457	0.1
88.02851	0.1
92.21513	0.1
112.04061	0.1
237.73602	0.1
252.46367	0.1
264.10205	0.1
287.58765	0.1
290.07938	0.2
291.08807	0.4
292.09665	2.2
293.10361	0.4
304.05966	0.1
305.06677	0.1
306.07492	0.3
308.09418	0.1
308.12796	1.3
318.07663	0.3
319.08255	0.8
320.09131	9.1
321.09921	4.8
322.10718	0.1
324.12451	0.1
334.10715	1.6
335.11014	0.8
336.12274	100.0
337.12946	0.1
337.23343	0.1
484.17480	0.2
500.20721	0.1
620.22009	0.1
634.23114	0.4
648.20441	0.3
662.22296	0.3
663.23724	0.1
678.25470	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60627	0.1
53.90480	0.1
59.62904	0.1
67.03082	0.1
79.72124	0.1
80.31255	0.1
89.74135	0.1
105.27154	0.1
145.66080	0.2
154.18893	0.1
163.78850	0.1
179.43698	0.2
275.09491	0.2
278.08218	0.7
291.09030	0.2
292.09665	7.9
304.09534	1.3
305.10614	0.2
306.07599	2.7
320.09161	9.8
321.09940	25.8
334.10757	0.3
335.11023	0.6
336.12280	100.0
381.01907	0.2
678.25385	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00969	0.1
54.19715	0.1
56.36284	0.1
58.71180	0.1
59.27983	0.1
98.29427	0.1
126.97394	0.1
291.08545	0.1
292.09625	1.7
293.10370	0.2
308.12820	1.1
319.08188	0.2
320.09155	8.1
321.09930	4.8
334.10657	0.7
335.11038	0.5
336.12280	100.0
558.17926	0.1
648.73639	0.2
662.22339	0.2
678.25433	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49749	0.1
63.45692	0.1
65.68732	0.1
73.61441	0.1
84.00443	0.1
92.99207	0.2
96.59257	0.2
124.72024	0.2
194.34406	0.2
199.74626	0.2
221.11703	0.2
253.33189	0.2
292.09589	2.0
293.10730	0.2
308.12833	1.0
319.08386	0.3
320.05389	0.3
320.09146	9.3
321.06247	0.2
321.09964	4.7
334.10706	1.0
335.11285	0.3
336.12280	100.0
461.35660	0.2
593.20630	0.2
678.25439	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06776	0.6
59.63971	0.6
62.68753	0.5
81.02524	0.6
116.09325	0.6
137.46616	0.6
165.05505	1.0
194.99469	0.7
221.11641	1.4
221.63554	0.7
292.09665	3.1
308.12457	1.0
314.07294	0.7
319.08313	4.2
320.09125	14.3
321.09915	5.0
334.10782	6.8
335.11176	1.5
336.12283	100.0
422.62961	0.7
578.43829	0.7
580.49976	0.9
678.25629	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26564	0.2
66.53574	0.2
69.43031	0.2
70.43374	0.2
76.83808	0.2
90.43366	0.2
91.47672	0.2
210.72844	0.2
260.98828	0.2
264.85016	0.2
278.08084	1.1
292.09702	4.7
304.09537	0.3
306.07516	1.2
308.12875	0.9
318.07303	0.2
319.08170	1.3
320.06076	0.3
320.09134	15.7
321.09946	9.9
334.10843	2.2
335.11057	2.3
336.12277	100.0
543.36011	0.3
678.25378	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38369	0.8
52.95669	0.8
85.02882	0.9
99.04481	1.1
105.07035	5.8
105.54581	0.8
109.06526	1.6
133.06474	8.5
137.05975	82.5
161.05968	52.0
171.08096	1.8
175.07497	1.2
180.07770	1.1
187.07475	1.7
194.81905	0.9
199.07547	22.7
203.08531	6.1
231.08022	22.3
232.08908	6.5
235.11171	1.9
245.09602	1.0
248.08344	9.0
255.21194	1.1
259.07538	27.2
260.08295	23.7
261.09061	1.3
263.10654	24.1
275.07040	1.3
276.07791	16.2
277.08572	1.8
291.10141	100.0
292.10980	7.3
293.07520	1.6
295.13150	2.1
301.21600	1.0
308.09497	5.9
318.07532	1.9
319.08401	6.9
320.09158	62.2
321.09738	1.2
322.07111	5.0
322.10718	1.4
323.12750	88.2
334.10739	13.1
335.11121	2.1
336.12357	8.3
337.12634	2.1
337.23676	1.2
383.14877	24.4
468.10941	10.1
483.13147	3.6
486.11783	9.3
501.14120	14.4
516.16382	3.4
678.21808	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11323	1.3
54.23011	1.3
55.05507	1.9
57.07069	1.8
67.05499	10.0
69.07059	3.4
70.19759	1.4
71.08628	2.6
79.05504	2.7
81.07056	3.5
83.04955	2.4
89.05972	1.9
91.05477	2.1
93.07030	8.5
95.08591	3.3
103.10008	1.9
107.08567	3.2
119.08572	2.0
162.83437	1.9
165.05444	7.1
174.05530	3.1
185.28120	1.6
292.07278	2.1
307.08386	2.3
317.03317	1.6
320.08957	2.7
321.09866	3.2
322.07141	4.0
322.10696	2.4
331.35370	1.9
332.82629	1.9
336.04938	2.6
336.08698	2.9
336.12350	17.9
338.10013	12.2
351.07416	12.4
366.05161	3.8
366.09705	100.0
384.10782	66.5
467.24744	1.8
672.36902	2.0
678.32001	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31543	1.2
58.92351	1.3
71.04404	1.3
71.08625	2.1
77.07867	1.3
81.07071	1.9
90.80940	1.5
92.05454	1.3
100.45430	1.6
116.81200	1.3
151.67194	1.6
165.05466	2.6
186.34134	1.5
221.22458	1.5
324.08725	6.4
330.11215	6.2
336.12479	3.3
338.10190	2.6
339.11121	8.3
348.09036	1.8
360.12408	2.6
376.08234	3.0
388.12042	1.9
390.09781	17.6
391.10535	55.1
392.11298	8.1
404.11331	9.6
408.13330	1.7
446.19589	3.0
473.19830	6.4
474.19095	18.5
475.21585	2.3
484.17511	3.0
502.18698	8.8
513.20959	2.0
520.19751	39.3
538.20886	5.3
637.27075	3.1
642.31476	2.8
660.31720	38.9
678.32684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.5
60.83609	1.1
67.05507	2.5
69.07083	1.7
77.46661	1.0
79.05496	1.0
81.07059	6.2
83.08613	1.3
86.93262	1.0
91.05494	1.9
93.07057	5.5
95.08640	1.9
95.26548	0.9
105.07008	2.5
106.72577	1.1
107.08559	2.7
109.10187	1.8
119.08559	2.7
121.06495	2.2
121.10174	1.1
129.07109	1.7
133.10159	1.8
135.11713	1.4
139.20024	1.1
143.08591	1.3
192.55659	1.1
200.19930	1.1
204.58485	1.1
205.86324	1.2
218.11932	1.2
445.24258	2.3
459.25790	1.2
460.22339	2.0
461.27875	9.0
473.23419	41.5
474.24258	6.2
487.24606	7.8
501.23004	1.3
503.24030	1.6
515.24524	17.8
517.25848	2.5
590.31244	8.4
600.29083	1.8
618.30780	100.0
646.30194	55.6
678.32709	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
86.83026	0.3
98.22803	0.4
107.04957	9.8
117.06997	0.5
117.69361	0.4
135.08052	100.0
147.08061	1.9
161.09631	0.5
168.84621	0.5
173.09572	6.4
185.07079	0.4
191.10802	0.7
209.11720	29.6
228.41490	0.4
249.14886	0.5
284.71262	0.4
320.09152	0.9
321.10028	0.5
325.17929	1.7
363.43399	0.4
373.87790	0.4
411.68091	0.4
493.25818	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88256	5.9
57.07081	33.3
63.64707	5.5
64.72357	7.3
69.11670	5.8
69.97344	5.6
71.08635	66.2
81.07084	5.6
85.10182	25.4
85.71442	6.9
87.04458	12.5
89.06035	80.2
96.75983	6.0
96.95648	6.5
105.07057	10.5
107.08629	7.9
109.65623	6.0
121.06504	33.0
133.08582	32.5
138.63036	6.1
142.68739	6.8
143.28369	6.9
177.11169	6.7
247.20593	15.4
320.09354	8.4
330.36884	7.2
336.12262	13.7
366.09741	51.4
384.10620	28.4
481.65341	7.2
516.02936	7.7
558.75958	6.9
569.25140	8.7
604.73743	7.1
661.45331	64.5
678.37128	10.6
678.48053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80580	0.3
57.03437	1.5
59.72149	0.3
60.92288	0.3
63.49157	0.3
64.08105	0.3
67.94848	0.3
76.24928	0.3
83.04993	2.9
84.08105	0.4
84.48200	0.4
85.02901	7.8
87.00832	0.9
94.92108	0.3
97.01516	0.3
98.38716	0.3
111.04427	1.9
117.54451	0.3
124.07602	0.4
129.05467	0.5
173.99234	0.4
177.05559	0.4
185.36792	0.4
204.06586	0.9
215.05576	4.2
233.06584	0.7
256.45026	0.3
270.05283	1.5
285.07565	100.0
289.11743	0.5
319.08044	0.6
320.09052	2.2
321.09753	1.7
322.10306	0.7
333.14517	3.8
334.10730	1.3
336.12158	3.9
337.12808	1.6
351.15491	2.4
352.15515	0.6
393.02890	0.4
396.92844	0.4
435.07202	0.4
447.12814	13.0
661.17609	5.9
679.17279	3.7
694.18042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90806	0.3
58.92734	0.4
71.79913	0.4
81.03427	0.9
87.25361	0.4
92.21739	0.4
97.02882	0.6
99.04454	8.3
99.16795	0.4
117.05436	0.5
118.06557	2.4
132.08066	3.9
137.05956	2.0
142.78824	0.4
144.08073	5.8
145.01633	0.5
146.06003	37.3
147.04361	2.4
159.09135	5.6
170.06001	2.6
179.07004	0.8
188.07059	100.0
205.09721	33.7
209.05714	0.9
217.08372	0.5
261.09637	2.2
490.15292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33684	0.5
81.28188	0.5
85.99816	0.5
90.76819	0.5
116.33694	0.6
151.57735	0.6
431.18500	2.0
433.24133	0.7
446.21118	1.0
447.21899	2.6
459.21442	1.7
460.22400	10.2
461.23306	8.8
473.23428	2.6
476.25858	0.8
487.25018	1.2
492.25153	2.6
505.22159	6.3
517.23590	0.8
533.25470	67.0
534.25806	2.6
535.26068	3.0
561.25256	1.2
564.23663	2.4
565.28271	1.2
575.27173	0.6
593.27594	77.6
619.31860	2.2
620.31256	0.8
679.31403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06295	0.5
64.18764	0.5
66.29291	0.6
67.05488	0.5
74.31425	0.5
79.18813	0.7
83.08599	0.8
85.02906	2.5
89.37231	0.6
90.44475	0.6
92.21460	0.8
99.04494	1.0
309.17493	1.1
327.18433	0.9
335.18796	1.0
367.13712	2.5
433.25705	1.2
565.25891	5.4
579.27319	1.3
679.36615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12792	3.0
55.05516	21.6
57.03431	5.4
57.07073	17.1
61.02930	19.9
63.70278	3.0
67.05515	57.7
69.07078	30.1
73.02922	13.5
79.05490	16.9
81.07059	100.0
83.05009	4.2
83.08615	33.3
85.02908	20.8
85.10151	4.7
91.03948	23.0
91.05478	18.4
93.07037	26.8
95.08603	94.9
97.02875	5.7
97.10141	11.2
105.07017	9.1
106.75623	3.6
107.08589	24.7
109.10156	54.5
111.08148	4.0
111.11687	4.1
112.28027	3.8
119.08593	20.4
121.10129	23.1
122.69323	3.3
123.08133	4.9
123.11719	23.7
133.10164	19.4
135.11707	18.4
137.08766	4.5
145.04958	3.5
147.11687	23.4
149.13237	5.3
161.13223	22.7
163.14745	5.0
175.14790	4.5
177.16287	4.7
198.96176	3.8
245.22609	59.7
263.23676	80.2
281.24500	4.2
295.33374	3.9
336.12534	3.8
337.27277	49.1
339.57809	4.1
355.28452	33.2
368.50534	4.0
499.32742	8.2
519.23364	4.3
679.27710	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.3
57.03445	6.8
57.07079	17.2
61.02920	22.9
61.03220	3.5
63.72237	4.3
65.03930	4.2
67.05504	62.7
69.07072	32.1
69.52025	3.9
71.08636	6.9
73.02919	8.9
76.78140	4.3
79.05521	15.1
81.07059	91.9
83.08611	29.1
85.02895	28.3
91.03935	23.2
91.05478	16.3
93.07035	26.9
95.08608	91.0
97.02883	19.9
97.06520	7.3
97.10169	18.2
99.08105	4.3
103.02521	3.9
105.07028	8.8
107.08627	32.1
108.39527	4.1
109.10143	65.8
111.04465	7.3
119.08559	23.5
121.10126	35.0
123.11708	24.8
127.03929	9.0
127.11175	4.7
133.10091	29.6
135.11678	16.9
135.78369	3.9
136.75670	4.4
137.13255	5.5
145.04929	6.8
147.11688	21.4
149.13194	4.7
151.14905	5.0
154.99135	4.7
161.13199	22.3
163.06003	10.0
163.14807	4.9
175.14818	5.5
179.17934	5.6
189.16307	6.4
194.31221	4.6
200.80304	4.5
236.72139	5.0
241.13014	4.3
245.22592	64.4
263.23700	100.0
285.07629	19.5
286.07944	21.2
287.07993	5.6
321.09885	7.1
336.12335	32.4
337.12540	21.0
337.27371	38.6
355.28336	40.5
463.30774	5.0
499.32410	18.4
679.32642	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37451	2.3
52.81530	2.2
55.05517	11.4
57.03442	3.5
57.07078	7.0
61.02929	18.0
67.05517	51.5
69.07076	19.8
71.08641	3.1
73.02920	6.5
79.05486	13.9
81.07065	64.6
83.08624	17.5
85.02914	28.5
91.03951	28.3
91.05483	11.9
93.07049	18.7
95.08611	65.8
97.02884	3.4
97.10169	12.7
98.48415	2.8
99.08131	4.2
105.07046	3.3
107.08586	20.9
109.10170	62.1
110.57894	3.3
119.08593	5.6
119.91995	2.9
121.10171	26.7
123.11721	19.7
127.03907	5.1
133.10153	18.3
135.11661	7.2
136.98584	3.0
137.13275	11.7
145.04990	4.6
147.11705	11.6
149.13254	14.3
151.14758	5.1
161.13284	13.8
163.06007	16.9
163.14838	7.2
165.16402	5.3
173.64978	3.4
175.14787	4.0
189.16489	3.7
245.22647	44.5
263.23709	100.0
298.38931	3.2
337.27438	33.7
355.28421	22.3
437.96286	3.7
555.62628	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41189	1.4
54.42711	1.4
55.05499	9.8
57.03422	7.7
57.07072	13.8
60.10913	1.5
61.02916	18.0
67.05495	68.3
68.89965	1.5
69.07058	25.8
71.04958	1.8
71.08609	7.3
73.02903	7.2
74.22452	1.5
79.05470	14.7
81.07043	100.0
83.08607	24.9
85.02887	15.5
85.06509	1.9
85.10145	4.1
91.03940	30.8
91.05445	10.7
93.07008	25.1
95.04988	1.9
95.07994	3.3
95.08584	90.2
97.02880	15.1
97.06505	7.8
97.10132	20.5
99.07999	2.0
105.07013	6.3
107.08570	22.8
109.09438	3.2
109.10138	58.7
111.08042	3.8
111.11682	2.8
113.09579	2.5
119.08552	16.9
120.59867	1.7
121.10123	32.4
123.11687	28.0
127.03906	6.4
133.10085	20.5
135.11667	20.4
137.13217	10.3
145.04948	9.7
147.11617	14.3
149.13243	15.9
151.14752	8.6
161.13181	19.1
163.05966	10.5
163.14783	13.6
165.16281	3.4
175.14799	13.8
177.16339	2.7
179.14384	2.0
179.17924	2.0
181.15883	2.2
189.16362	7.2
232.90390	2.0
245.22551	53.5
263.23618	90.6
313.98676	2.0
337.27292	60.3
355.28284	34.5
422.27136	2.1
481.31680	2.4
499.32330	13.3
517.86865	1.9
661.37494	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07095	1.0
67.05516	3.7
69.07076	2.1
73.63838	0.8
76.01508	0.8
77.25111	0.8
81.07053	4.5
83.08633	2.0
93.07061	1.8
95.08632	1.6
97.06548	1.0
109.10168	1.1
114.35011	0.9
117.05413	0.9
121.10156	1.2
135.11781	1.8
146.67099	0.9
152.70923	0.8
153.12750	0.9
263.74835	1.0
292.42584	1.0
295.05710	1.0
309.20447	8.5
407.24304	4.0
465.44064	0.9
619.45618	1.6
679.47552	100.0
702.67413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	3.2
78.38638	0.6
79.05476	0.6
96.08129	18.0
97.06532	0.7
113.10754	7.2
114.09164	75.3
115.07590	2.6
128.77744	0.6
132.10188	0.9
208.18103	3.1
209.16484	40.1
210.14911	1.4
226.19116	16.9
227.17513	8.4
228.15932	23.4
245.18759	0.8
307.08148	1.0
319.08362	0.8
320.09158	6.0
321.09543	4.9
321.26636	2.9
322.10370	2.8
322.24872	22.2
322.28445	1.1
335.11005	1.1
336.12149	7.8
337.12616	7.4
339.27591	8.1
340.25595	2.0
341.24374	6.7
358.26968	0.8
434.34686	1.1
435.33423	6.1
452.36203	4.3
453.34644	1.2
547.43469	1.0
548.41742	3.1
566.42731	1.3
661.50104	3.6
679.22174	2.6
679.51129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	3.2
78.38638	0.6
79.05476	0.6
96.08129	18.0
97.06532	0.7
113.10754	7.2
114.09164	75.3
115.07590	2.6
128.77744	0.6
132.10188	0.9
208.18103	3.1
209.16484	40.1
210.14911	1.4
226.19116	16.9
227.17513	8.4
228.15932	23.4
245.18759	0.8
307.08148	1.0
319.08362	0.8
320.09158	6.0
321.09543	4.9
321.26636	2.9
322.10370	2.8
322.24872	22.2
322.28445	1.1
335.11005	1.1
336.12149	7.8
337.12616	7.4
339.27591	8.1
340.25595	2.0
341.24374	6.7
358.26968	0.8
434.34686	1.1
435.33423	6.1
452.36203	4.3
453.34644	1.2
547.43469	1.0
548.41742	3.1
566.42731	1.3
661.50104	3.6
679.22174	2.6
679.51129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94778	0.2
61.72010	0.2
69.03416	0.2
70.89674	0.3
85.02885	0.5
94.12052	0.2
95.92065	0.2
121.06491	0.2
130.04788	0.3
131.07048	0.2
148.89240	0.3
160.58543	0.3
164.07027	1.4
175.03923	0.4
183.50124	0.3
207.06479	0.6
262.08865	0.4
277.07117	0.3
290.08109	1.3
292.09647	8.7
294.11279	0.4
307.08368	7.5
308.09149	69.4
312.12094	0.4
318.07755	1.8
319.08295	0.4
320.09155	100.0
321.09824	0.4
322.10574	1.1
323.11392	2.6
334.10806	2.0
336.12073	0.5
337.12619	0.4
338.09909	0.4
338.13855	6.2
482.14523	1.8
518.14178	1.2
680.19550	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27911	0.6
54.21415	0.3
58.06670	2.0
63.97226	0.4
69.03502	0.9
70.06673	3.8
83.07554	0.4
84.08224	0.6
85.02994	0.7
93.22218	0.5
95.10430	0.5
97.02953	0.5
99.04475	0.6
105.07160	0.5
108.95593	0.5
109.02972	0.5
114.61065	0.5
116.30797	0.5
130.08759	0.6
137.06052	0.5
163.03969	0.5
163.70894	0.5
175.03993	0.7
177.05571	0.8
207.06671	2.4
208.09587	0.5
218.03076	0.5
220.33217	0.5
285.24799	0.5
322.10849	0.7
323.08017	0.7
326.06564	3.9
334.10693	0.5
341.08945	43.7
356.11273	100.0
379.10663	0.6
392.11295	0.7
393.11627	0.6
394.12781	1.0
395.13165	1.1
457.37231	0.6
518.16522	32.9
680.21191	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62724	0.5
69.03407	1.0
70.06608	0.7
85.02924	2.7
97.02872	0.9
98.04453	0.6
124.05189	1.0
137.05994	1.1
152.08368	0.9
161.05994	0.7
162.06728	4.9
180.07805	1.4
255.27055	0.6
276.07025	0.7
280.06085	1.1
295.08392	11.9
296.09320	2.5
308.09241	1.1
309.09814	1.2
310.07214	1.4
310.10675	21.6
318.07703	0.8
319.08572	2.8
320.09003	1.3
321.09915	1.2
322.10950	1.4
323.08255	0.9
324.08612	5.3
334.10693	5.8
336.08691	0.8
336.12375	1.4
338.10220	4.5
339.11621	0.6
366.09763	13.9
443.92206	0.8
458.12650	1.2
470.12375	13.8
473.14886	1.4
485.14627	11.2
488.13351	14.3
503.15744	26.1
518.18158	16.6
636.22272	0.9
648.21948	2.2
680.23584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41703	0.6
58.06627	0.6
58.39141	0.7
69.03423	1.3
85.02900	2.8
87.04475	0.7
91.60825	0.7
118.32327	0.6
124.05241	1.3
125.39211	0.7
137.05957	1.4
147.04436	0.9
161.05971	1.2
162.06760	5.9
180.07869	3.8
280.06073	1.3
295.08374	12.2
296.09091	0.9
308.09204	3.2
309.10016	2.8
310.07230	1.4
310.10709	28.1
319.08472	4.6
320.09024	1.5
324.08731	6.7
326.28351	0.7
334.10898	7.3
334.14484	0.8
335.11041	0.9
336.08691	8.4
336.12137	1.7
337.08984	9.5
338.09686	9.5
354.48315	0.7
359.31641	0.8
366.09720	20.5
398.71320	0.8
458.12396	0.9
470.12305	17.5
473.14633	2.7
485.14688	15.7
488.13367	7.1
503.15701	19.0
518.18207	21.7
680.23273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74825	0.5
63.04396	0.5
72.94857	0.6
82.73482	0.6
87.48476	0.6
92.20971	1.2
114.09187	1.6
147.04494	0.7
162.62941	0.8
174.11301	0.6
276.06610	0.7
292.09833	1.4
318.07483	1.0
319.08411	5.6
320.09122	22.4
321.09610	4.8
322.10703	7.0
334.10666	7.8
335.11264	1.5
336.12311	4.2
408.12921	0.8
424.12112	2.1
425.12350	1.0
438.13617	1.0
439.14224	1.3
442.12927	12.5
443.14014	1.3
456.14444	7.1
457.15311	7.1
468.14978	0.9
470.15985	3.4
472.17352	0.7
484.18100	1.0
618.20758	0.9
630.21454	2.6
634.21246	0.8
636.21997	1.4
646.20679	0.9
648.22229	16.2
650.20551	2.7
664.22003	6.5
665.22571	1.2
677.96844	0.8
680.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28939	0.6
66.93587	0.7
67.73150	0.7
70.81361	0.7
74.63428	0.6
76.15459	0.8
79.99953	0.7
82.65846	0.8
92.20940	1.4
105.18771	0.7
176.87938	0.7
291.08618	0.8
293.96552	0.9
304.06110	1.3
318.07779	1.4
319.08371	8.9
320.09088	21.1
321.09875	3.3
322.10693	3.3
334.10724	13.6
335.11017	6.9
336.12027	6.7
424.12024	1.1
425.12878	0.9
438.13376	1.2
442.12930	9.8
443.13815	1.3
456.14377	9.5
457.15179	7.5
484.17691	1.3
630.21716	1.3
632.20184	0.9
634.20782	1.2
636.22388	1.2
646.20581	1.3
648.22241	17.6
650.19897	1.7
664.21692	5.1
680.24774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73677	0.3
57.66487	0.3
67.86361	0.4
89.61842	0.4
99.39910	0.4
114.09193	0.4
119.04884	0.4
181.16595	0.4
216.44308	0.3
219.10304	0.4
229.25078	0.4
276.27536	0.4
290.08231	1.8
292.09576	0.7
304.06158	1.7
305.06537	0.5
307.08542	0.5
318.07758	1.8
319.08304	9.0
320.08905	10.1
321.09686	1.6
322.10611	6.6
334.10693	15.9
335.11014	10.1
336.12170	4.0
424.12003	2.0
425.12872	0.8
438.13382	2.0
439.14142	0.9
442.12805	12.0
443.13800	2.3
452.15009	0.9
456.14447	5.5
457.15137	6.9
470.16055	2.6
484.17703	2.8
503.15732	0.8
518.18481	0.7
604.20020	0.8
620.19470	0.8
622.20642	0.9
630.21405	1.9
634.20911	2.5
636.22192	0.8
646.20825	1.7
648.22284	15.3
650.20074	2.2
664.21844	5.5
665.22729	1.8
680.24792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74825	0.5
63.04396	0.5
72.94857	0.6
82.73482	0.6
87.48476	0.6
92.20971	1.2
114.09187	1.6
147.04494	0.7
162.62941	0.8
174.11301	0.6
276.06610	0.7
292.09833	1.4
318.07483	1.0
319.08411	5.6
320.09122	22.4
321.09610	4.8
322.10703	7.0
334.10666	7.8
335.11264	1.5
336.12311	4.2
408.12921	0.8
424.12112	2.1
425.12350	1.0
438.13617	1.0
439.14224	1.3
442.12927	12.5
443.14014	1.3
456.14444	7.1
457.15311	7.1
468.14978	0.9
470.15985	3.4
472.17352	0.7
484.18100	1.0
618.20758	0.9
630.21454	2.6
634.21246	0.8
636.21997	1.4
646.20679	0.9
648.22229	16.2
650.20551	2.7
664.22003	6.5
665.22571	1.2
677.96844	0.8
680.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
76.04070	1.3
77.77209	1.6
92.21021	2.3
105.07039	2.6
105.74162	1.7
110.14986	1.4
129.07019	10.2
133.06490	9.6
147.08087	1.9
154.06277	2.9
159.08052	9.1
161.05978	19.4
166.06264	8.3
167.07004	2.6
169.08597	2.3
172.05205	3.7
175.07521	27.9
175.08858	2.3
178.10130	1.6
181.08600	100.0
187.07535	42.3
199.07492	12.4
205.08643	8.4
217.08534	2.1
257.46594	1.6
264.11325	1.8
265.08554	2.3
276.06705	1.7
292.10834	6.5
293.11652	3.1
295.13208	18.1
304.10767	2.2
305.11771	2.6
307.08502	2.7
308.10031	3.3
309.11163	7.0
318.07596	3.2
319.08331	12.5
320.09064	15.9
321.10950	9.0
322.10669	6.1
323.12509	7.4
324.13626	13.4
334.10745	30.0
335.12360	2.1
336.13016	13.7
340.12973	7.2
355.15369	51.1
367.15536	22.4
385.16556	26.7
441.56653	1.8
442.12729	1.9
572.66235	1.7
634.20679	7.3
680.24561	37.6
691.29486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33850	2.1
65.40035	2.7
65.90735	2.4
66.11410	2.5
74.17404	2.2
77.88857	2.5
81.03429	3.8
105.79910	2.5
137.06027	2.6
151.07652	3.9
154.06273	4.2
166.06233	4.9
166.95244	2.6
167.07001	26.9
169.08611	3.4
173.05769	3.1
175.03853	2.5
175.07549	5.4
179.07025	2.7
180.98720	2.4
181.04906	3.3
181.08589	61.7
187.07545	5.3
189.05519	2.9
195.06566	3.2
201.05473	96.2
205.08553	3.8
207.06456	3.9
207.10089	3.7
207.18576	2.9
213.05437	28.3
215.07056	5.9
231.06503	12.3
249.09146	3.0
277.08496	3.6
278.09686	3.5
306.07715	4.4
309.11093	17.0
310.12082	3.0
318.07733	6.5
319.08441	24.2
320.09122	35.4
322.11185	6.7
326.11459	4.6
327.56781	2.7
334.10916	62.5
335.08856	4.2
335.11377	4.0
336.12195	18.3
337.10535	18.9
338.11166	5.1
341.14035	4.7
349.10739	33.5
350.11444	40.3
351.08405	6.0
351.12250	17.8
354.11093	5.3
366.10883	18.0
369.13330	100.0
381.13400	39.7
383.14798	11.7
393.13107	12.7
399.14304	36.7
435.17764	6.3
453.18857	3.4
495.16333	4.2
513.17462	15.9
531.18542	33.2
561.18951	6.2
674.93604	3.1
680.24542	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.7
96.08147	0.6
107.08617	0.7
112.70536	0.5
114.09190	4.8
177.05531	1.2
190.04651	0.7
200.82423	0.5
209.16595	0.7
210.15202	0.6
275.26883	0.6
290.08163	4.7
292.09869	1.0
304.05972	4.6
318.07568	5.1
319.08405	34.6
320.09241	2.9
321.09836	5.1
334.10730	100.0
336.12271	14.5
336.15948	0.8
680.30841	43.0
680.49817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58968	0.3
68.46781	0.3
80.42740	0.3
104.06956	0.5
118.65093	0.3
119.22437	0.3
137.72232	0.4
146.07910	0.3
181.08424	0.4
187.61641	0.3
196.67853	0.3
211.68163	0.3
231.13629	0.5
276.06363	0.4
290.08087	5.5
302.08069	1.3
304.05984	5.2
308.09152	0.5
318.07608	6.7
319.08395	40.9
320.09204	4.6
321.09399	1.9
322.10187	0.8
326.74759	0.4
334.10724	100.0
335.10803	0.7
336.12296	2.1
372.12326	0.7
385.01697	0.4
396.58984	0.3
452.18155	0.4
472.14081	0.5
483.24380	0.6
500.24338	0.5
512.64709	0.4
634.21246	1.5
680.31250	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58968	0.3
68.46781	0.3
80.42740	0.3
104.06956	0.5
118.65093	0.3
119.22437	0.3
137.72232	0.4
146.07910	0.3
181.08424	0.4
187.61641	0.3
196.67853	0.3
211.68163	0.3
231.13629	0.5
276.06363	0.4
290.08087	5.5
302.08069	1.3
304.05984	5.2
308.09152	0.5
318.07608	6.7
319.08395	40.9
320.09204	4.6
321.09399	1.9
322.10187	0.8
326.74759	0.4
334.10724	100.0
335.10803	0.7
336.12296	2.1
372.12326	0.7
385.01697	0.4
396.58984	0.3
452.18155	0.4
472.14081	0.5
483.24380	0.6
500.24338	0.5
512.64709	0.4
634.21246	1.5
680.31250	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23481	0.2
55.67459	0.2
58.05080	0.2
68.28967	0.2
69.24625	0.3
117.00495	0.2
156.68097	0.3
217.55717	0.4
290.08102	4.3
302.08115	1.5
304.05927	3.6
318.07608	5.9
319.08398	35.9
320.08939	0.3
321.09851	0.5
334.10736	100.0
336.12460	1.6
338.13574	0.4
680.30750	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38160	3.2
81.07050	15.4
85.02901	6.0
93.07028	5.3
95.08592	27.2
96.98693	2.8
99.04386	3.5
105.07029	13.6
107.08566	27.5
109.10149	32.3
111.08060	3.4
119.08590	35.4
121.10145	13.4
123.11713	7.2
131.08582	15.1
132.62430	2.8
133.10083	21.9
135.08015	4.0
135.11684	16.9
137.04839	3.2
143.08524	4.1
145.10107	21.0
147.11710	17.3
149.13239	5.3
155.08501	3.6
157.10109	7.7
159.11679	18.7
161.13251	14.9
163.14815	6.1
171.11653	14.4
173.13234	28.8
175.14806	50.4
177.12532	3.4
177.16389	6.9
183.11754	3.4
185.13268	25.6
187.14792	41.5
191.14336	16.8
197.13228	13.5
199.14818	59.7
201.16364	43.1
203.14314	3.9
205.15898	4.2
209.13239	4.7
209.15286	3.1
211.14804	6.4
213.16351	38.4
215.17914	4.1
227.17850	7.3
231.13834	6.7
231.17384	4.0
245.15479	6.0
251.17874	3.8
253.19568	3.7
259.16833	16.9
267.21106	4.3
273.18530	5.6
279.21216	3.3
285.18417	3.9
307.24130	5.7
319.08206	6.5
320.09219	14.3
321.06104	4.2
321.09515	5.8
322.10037	5.2
323.15842	3.4
334.10760	23.5
336.08646	5.2
336.12296	20.8
337.09009	29.8
338.09357	7.4
338.13983	4.0
339.09454	6.4
373.28897	11.7
391.30002	30.0
409.30899	11.8
419.29315	16.8
437.30579	50.6
455.31522	100.0
465.29941	7.5
483.30972	58.3
501.32129	31.3
617.36810	21.6
645.36841	5.1
680.22424	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77423	1.5
55.05525	14.0
55.80617	1.4
57.03437	9.2
57.07078	20.0
67.05500	12.8
69.03433	3.3
69.07072	3.3
69.59477	1.6
71.08629	20.6
77.95379	1.7
79.05505	3.0
81.07056	10.5
83.08633	19.2
85.10175	8.6
86.09720	3.9
92.23386	1.9
93.07037	2.9
95.08599	12.8
97.10167	47.5
99.14742	2.1
107.08588	12.8
109.10160	4.6
125.09631	78.2
135.08064	7.4
143.10715	3.5
153.09177	3.1
168.28435	2.0
171.10211	8.5
184.07307	24.6
189.11197	40.3
227.12766	100.0
237.45769	2.0
244.26022	2.1
245.13811	73.1
313.27383	55.5
483.36813	48.4
541.76990	2.3
680.35284	2.8
680.47968	7.7
694.50629	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24241	4.6
54.92820	5.0
55.05513	12.1
57.03433	7.2
57.07084	6.3
65.59414	4.6
67.05494	24.5
69.07066	8.3
71.08627	21.6
79.05508	8.0
81.07044	32.2
83.08611	28.7
86.09691	9.6
93.07030	13.8
95.08602	25.5
97.10158	41.8
99.04475	6.3
107.08581	12.8
109.10180	21.5
121.10139	7.4
125.09609	56.8
131.08511	5.7
133.10184	8.5
135.11604	7.7
137.05951	68.5
140.22958	6.3
147.87248	6.4
163.11183	7.0
167.32553	4.8
172.21272	6.0
179.14299	11.9
180.64468	5.7
184.07358	41.8
189.11201	39.9
227.12772	100.0
245.13806	77.8
278.41769	5.3
302.08508	5.5
313.27301	52.7
319.08456	11.6
334.10779	73.0
483.36627	46.5
489.98383	7.2
627.42126	49.1
680.35382	6.3
680.47791	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40958	0.8
54.47087	0.7
55.05515	1.3
57.04377	0.8
57.07079	2.1
59.68827	0.7
61.02914	1.5
67.05503	4.0
69.07066	8.0
73.55619	0.9
76.39099	0.9
79.05493	1.6
81.07066	7.2
83.08628	6.5
85.02902	4.0
85.10181	1.7
90.04602	1.0
91.03961	2.3
91.05488	41.3
93.07030	2.0
95.08613	9.4
97.10148	2.4
107.08530	1.3
109.02925	0.9
109.10159	3.7
111.11691	1.1
121.10135	6.1
135.11687	4.6
149.13264	1.5
163.06020	2.2
187.03888	6.6
199.03908	8.5
215.03401	48.4
216.04195	5.5
224.95804	0.9
239.07034	1.2
247.24179	1.3
253.08575	1.6
263.07031	19.1
265.25247	6.6
274.06119	1.3
281.08063	5.0
283.26422	1.5
290.05771	1.1
291.03201	1.4
291.06503	57.5
309.07574	100.0
339.28928	9.4
357.29987	9.8
427.11768	4.1
451.03433	1.0
568.64862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96537	0.6
60.96931	0.5
65.68468	0.7
66.53349	0.6
106.70496	0.8
114.95341	0.6
260.85532	0.9
278.60641	0.8
349.73352	0.7
382.57657	0.8
391.88092	0.8
419.22293	1.6
421.23508	0.9
445.20010	1.2
446.21021	5.7
447.21912	11.1
459.22214	3.0
461.19522	1.2
473.19214	1.4
473.24252	1.0
474.20517	10.0
475.21182	13.0
487.21280	8.8
501.22696	5.1
503.24512	1.0
519.23853	4.8
521.26495	0.9
529.22144	1.2
547.23450	7.9
549.24805	0.9
551.24933	3.1
561.24365	0.8
565.27954	3.4
593.27643	19.5
621.27087	37.0
649.26459	1.3
653.29303	1.2
681.29108	100.0
681.37872	4.1
681.47430	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74653	1.5
57.23327	1.6
57.54816	1.8
58.01772	1.6
58.06606	52.4
58.31814	1.8
68.15390	1.8
71.82340	1.7
76.58107	1.7
160.16425	2.1
237.09030	4.3
252.63786	2.0
265.08578	36.9
282.08789	7.9
290.46173	2.2
297.11221	39.2
299.12759	3.5
307.08356	4.4
308.08853	5.0
320.09174	2.8
321.09686	2.7
322.10858	15.0
323.11227	19.4
334.10687	2.8
342.16971	100.0
357.15573	2.1
373.09805	2.1
427.13950	2.6
429.11404	2.6
442.12900	10.1
443.13281	32.7
472.13739	18.4
473.14273	61.6
476.98529	2.4
518.14191	11.2
519.14746	60.5
611.75946	2.6
681.19775	96.4
685.65326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68158	3.0
55.05510	20.5
56.26527	2.6
57.03440	5.0
57.07076	20.6
61.02937	28.0
67.05514	41.2
69.07072	57.9
71.08632	13.4
73.02907	6.1
79.05511	3.5
80.16698	3.0
81.07067	55.9
83.08631	49.7
84.99584	2.9
85.02906	36.0
85.10168	12.0
86.30438	3.2
91.03956	35.5
93.07040	18.3
95.08606	60.0
97.02916	7.6
97.06517	14.0
97.10174	35.5
107.08603	19.5
109.10153	41.0
111.08055	4.3
111.11721	18.3
121.10136	68.3
123.11710	18.0
125.09620	3.3
127.03905	3.2
135.11714	43.9
137.13289	5.8
139.11212	6.2
145.04958	7.8
146.88237	3.0
149.13246	23.9
151.14874	4.1
159.10072	3.4
163.06033	15.7
163.14723	6.0
165.16301	3.3
247.24211	33.4
265.25272	80.2
277.91284	3.6
278.44833	3.2
283.26288	6.8
291.72443	3.2
339.28946	81.1
357.29999	100.0
556.30664	3.9
681.35413	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68158	3.0
55.05510	20.5
56.26527	2.6
57.03440	5.0
57.07076	20.6
61.02937	28.0
67.05514	41.2
69.07072	57.9
71.08632	13.4
73.02907	6.1
79.05511	3.5
80.16698	3.0
81.07067	55.9
83.08631	49.7
84.99584	2.9
85.02906	36.0
85.10168	12.0
86.30438	3.2
91.03956	35.5
93.07040	18.3
95.08606	60.0
97.02916	7.6
97.06517	14.0
97.10174	35.5
107.08603	19.5
109.10153	41.0
111.08055	4.3
111.11721	18.3
121.10136	68.3
123.11710	18.0
125.09620	3.3
127.03905	3.2
135.11714	43.9
137.13289	5.8
139.11212	6.2
145.04958	7.8
146.88237	3.0
149.13246	23.9
151.14874	4.1
159.10072	3.4
163.06033	15.7
163.14723	6.0
165.16301	3.3
247.24211	33.4
265.25272	80.2
277.91284	3.6
278.44833	3.2
283.26288	6.8
291.72443	3.2
339.28946	81.1
357.29999	100.0
556.30664	3.9
681.35413	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	1.2
59.00116	0.8
73.18398	0.7
76.20244	0.9
105.48690	1.1
112.66538	0.9
150.41928	0.9
184.46405	0.9
249.08025	1.1
278.08069	1.0
293.06970	1.0
305.06573	1.3
306.07590	37.0
320.08899	1.9
322.10840	1.4
334.10782	1.5
335.10403	5.4
364.08020	1.2
467.12405	10.4
469.10300	1.0
479.08963	1.2
562.96808	1.1
577.14966	1.0
608.14014	3.3
624.14166	4.1
634.12659	1.3
636.13788	3.1
638.15607	7.1
652.13550	16.9
657.07336	1.0
666.15356	9.8
666.25323	1.3
682.18164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06287	1.1
55.77068	1.4
58.06607	1.6
60.12093	1.2
75.56335	1.3
82.96996	1.2
119.19425	1.3
127.36046	1.4
131.42256	1.3
132.60687	1.3
143.90178	1.4
225.33046	1.7
306.07626	27.5
306.85855	1.7
320.09164	2.1
321.09430	1.8
335.10333	3.4
397.95624	1.5
467.12357	3.4
486.69559	1.5
526.64539	1.5
587.81244	1.5
593.53442	2.1
624.14032	3.1
638.15521	5.8
652.13416	15.1
666.15289	9.9
682.18109	100.0
682.35370	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80428	0.8
58.06593	3.7
58.50943	0.8
67.05504	0.9
77.12563	0.8
88.27837	0.8
97.55464	0.8
103.65881	0.8
112.57262	0.7
115.39494	0.9
127.03928	0.8
129.78076	1.0
163.03928	1.0
167.06990	2.0
278.08063	4.2
290.08099	5.4
291.08890	14.7
292.06274	1.8
292.09616	5.1
304.06006	2.1
306.07593	36.9
307.08429	13.2
318.07593	4.7
319.08350	16.9
319.11624	1.9
320.05521	13.0
320.09149	5.7
321.09973	14.6
322.07004	5.1
322.10727	12.6
324.12201	1.1
334.07050	5.9
334.10745	15.7
335.07791	12.2
336.12271	29.5
337.12607	4.9
338.13843	2.8
350.10263	23.8
392.14676	1.1
638.19824	1.5
643.12109	1.0
648.18878	1.3
682.22577	100.0
682.32959	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36687	0.4
53.83684	0.4
55.26417	0.4
61.63359	0.5
73.02923	0.4
74.44647	0.5
172.57617	0.6
176.29852	0.5
179.07024	0.5
190.08681	2.1
264.06601	0.5
279.08911	1.3
292.06042	2.8
292.09473	0.8
294.07571	3.2
294.11075	1.2
295.08359	6.2
300.84573	0.6
307.08398	27.4
308.09354	4.4
309.09930	9.0
310.10727	23.0
314.06381	1.0
322.10742	53.7
323.11526	0.6
338.10339	0.8
340.11798	100.0
351.53534	0.6
352.95023	0.6
358.12827	4.8
502.17160	15.9
520.18188	33.4
664.21936	2.8
682.23260	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36687	0.4
53.83684	0.4
55.26417	0.4
61.63359	0.5
73.02923	0.4
74.44647	0.5
172.57617	0.6
176.29852	0.5
179.07024	0.5
190.08681	2.1
264.06601	0.5
279.08911	1.3
292.06042	2.8
292.09473	0.8
294.07571	3.2
294.11075	1.2
295.08359	6.2
300.84573	0.6
307.08398	27.4
308.09354	4.4
309.09930	9.0
310.10727	23.0
314.06381	1.0
322.10742	53.7
323.11526	0.6
338.10339	0.8
340.11798	100.0
351.53534	0.6
352.95023	0.6
358.12827	4.8
502.17160	15.9
520.18188	33.4
664.21936	2.8
682.23260	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36687	0.4
53.83684	0.4
55.26417	0.4
61.63359	0.5
73.02923	0.4
74.44647	0.5
172.57617	0.6
176.29852	0.5
179.07024	0.5
190.08681	2.1
264.06601	0.5
279.08911	1.3
292.06042	2.8
292.09473	0.8
294.07571	3.2
294.11075	1.2
295.08359	6.2
300.84573	0.6
307.08398	27.4
308.09354	4.4
309.09930	9.0
310.10727	23.0
314.06381	1.0
322.10742	53.7
323.11526	0.6
338.10339	0.8
340.11798	100.0
351.53534	0.6
352.95023	0.6
358.12827	4.8
502.17160	15.9
520.18188	33.4
664.21936	2.8
682.23260	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34534	0.1
62.41542	0.2
63.24347	0.1
74.10915	0.2
76.03366	0.2
91.71961	0.1
142.04538	0.2
231.39310	0.2
292.09711	1.8
297.91135	0.2
318.07861	0.2
320.09174	100.0
324.47379	0.2
585.83801	0.3
682.24963	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58763	0.2
84.21088	0.2
96.91405	0.2
96.95523	0.1
118.57971	0.1
191.34183	0.2
192.57491	0.2
292.09589	2.9
318.07803	0.4
320.09161	100.0
460.76074	0.2
486.96759	0.2
550.15253	0.2
682.24933	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24739	0.2
64.75731	0.2
75.94009	0.2
100.86246	0.2
127.19698	0.3
142.09836	0.3
148.28841	0.2
191.75539	0.2
213.38152	0.2
235.18245	0.3
243.70836	0.2
257.65527	0.2
292.09607	2.5
318.07422	0.3
320.09174	100.0
422.69366	0.3
682.24994	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65993	0.1
76.76783	0.1
214.47830	0.2
245.43822	0.2
290.08194	0.3
292.09653	2.3
295.52643	0.2
316.29062	0.2
320.09177	100.0
651.99225	0.2
682.24957	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36631	0.2
53.20098	0.1
58.29376	0.1
68.62666	0.2
90.27425	0.1
90.37195	0.1
141.76030	0.2
168.24031	0.2
204.17372	0.2
221.20148	0.2
289.77713	0.2
292.09607	2.7
318.07486	0.6
320.09167	100.0
334.10837	0.3
336.12189	0.4
344.08856	0.2
456.60074	0.2
593.64294	0.2
614.61597	0.2
682.24945	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23182	0.2
58.89050	0.2
59.22454	0.2
88.60114	0.2
88.75603	0.2
92.20887	0.2
98.45286	0.2
103.37397	0.2
111.19246	0.2
113.44730	0.2
156.46167	0.2
178.05916	0.2
214.16003	0.2
290.07916	0.3
292.09659	2.4
319.08429	0.3
320.09167	100.0
334.10471	0.2
336.12173	0.9
359.09155	0.2
382.69888	0.2
638.01135	0.2
650.21185	0.2
682.24994	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24739	0.2
64.75731	0.2
75.94009	0.2
100.86246	0.2
127.19698	0.3
142.09836	0.3
148.28841	0.2
191.75539	0.2
213.38152	0.2
235.18245	0.3
243.70836	0.2
257.65527	0.2
292.09607	2.5
318.07422	0.3
320.09174	100.0
422.69366	0.3
682.24994	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04832	0.1
92.21518	0.2
119.97758	0.1
175.16736	0.1
177.05431	0.1
185.09784	0.1
207.06396	0.2
207.33195	0.1
290.08054	0.2
292.09665	2.3
318.07614	0.7
319.08286	1.0
320.09164	100.0
322.10495	0.3
323.11246	0.1
334.10782	1.6
335.11026	0.2
336.11978	0.6
408.82831	0.1
628.11792	0.1
628.56635	0.1
682.25012	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92680	0.1
55.22078	0.1
94.99376	0.1
128.36620	0.2
145.38864	0.2
177.05368	0.2
181.62880	0.2
213.44635	0.2
290.07916	0.2
292.09647	2.3
318.07629	0.4
320.09174	100.0
334.10645	0.3
339.12289	0.2
406.29221	0.1
682.24963	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
58.06608	6.4
60.59764	0.9
86.20579	1.1
90.46538	1.2
91.05482	9.2
105.03424	2.8
109.06550	2.7
119.04934	27.7
119.05720	1.1
123.08057	1.6
124.29943	1.2
133.06557	5.7
137.05991	10.4
144.93512	1.4
147.04453	7.3
147.11595	1.0
151.07530	16.4
151.08629	1.2
154.93954	1.1
161.06026	5.6
175.07591	1.6
179.07106	2.4
181.08725	4.9
187.07779	1.6
205.08670	1.5
224.79871	1.3
237.63608	1.2
266.11914	1.6
275.07111	1.4
275.10699	2.7
292.09918	1.6
294.11462	2.2
303.10297	2.0
307.08554	5.9
308.09259	2.6
309.10941	7.0
318.07852	1.4
319.08414	8.4
320.09174	15.7
321.09866	2.4
322.10718	99.7
323.11517	57.5
323.15179	2.5
324.12274	84.6
334.10645	14.9
335.11578	7.3
336.12524	7.1
337.13150	2.6
338.14063	1.5
343.58365	1.4
352.15405	2.6
442.12930	1.2
505.61746	1.4
576.23645	1.4
682.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
58.06608	6.4
60.59764	0.9
86.20579	1.1
90.46538	1.2
91.05482	9.2
105.03424	2.8
109.06550	2.7
119.04934	27.7
119.05720	1.1
123.08057	1.6
124.29943	1.2
133.06557	5.7
137.05991	10.4
144.93512	1.4
147.04453	7.3
147.11595	1.0
151.07530	16.4
151.08629	1.2
154.93954	1.1
161.06026	5.6
175.07591	1.6
179.07106	2.4
181.08725	4.9
187.07779	1.6
205.08670	1.5
224.79871	1.3
237.63608	1.2
266.11914	1.6
275.07111	1.4
275.10699	2.7
292.09918	1.6
294.11462	2.2
303.10297	2.0
307.08554	5.9
308.09259	2.6
309.10941	7.0
318.07852	1.4
319.08414	8.4
320.09174	15.7
321.09866	2.4
322.10718	99.7
323.11517	57.5
323.15179	2.5
324.12274	84.6
334.10645	14.9
335.11578	7.3
336.12524	7.1
337.13150	2.6
338.14063	1.5
343.58365	1.4
352.15405	2.6
442.12930	1.2
505.61746	1.4
576.23645	1.4
682.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80923	0.8
53.03959	0.8
57.03448	1.1
58.06607	97.4
85.02898	4.3
87.04452	1.0
107.01833	1.0
137.05994	1.1
165.09158	1.4
176.07056	17.2
178.08551	1.3
181.08563	1.3
194.08107	1.2
204.10159	1.9
207.08075	4.0
210.22108	1.1
213.87444	1.0
220.05070	1.1
222.11189	1.0
235.07594	9.3
245.05887	1.6
253.08603	4.2
263.07010	42.6
265.08508	1.9
278.09335	4.5
280.07336	1.4
281.08005	1.0
285.11160	1.3
295.09686	25.3
297.11218	8.5
309.10901	1.9
327.12222	1.4
328.15451	3.9
340.11810	1.8
340.15424	19.7
350.13928	17.9
358.16409	18.3
358.46851	1.3
367.14224	1.1
502.20337	1.3
505.13614	1.4
520.20203	8.5
660.88037	1.2
682.27185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80923	0.8
53.03959	0.8
57.03448	1.1
58.06607	97.4
85.02898	4.3
87.04452	1.0
107.01833	1.0
137.05994	1.1
165.09158	1.4
176.07056	17.2
178.08551	1.3
181.08563	1.3
194.08107	1.2
204.10159	1.9
207.08075	4.0
210.22108	1.1
213.87444	1.0
220.05070	1.1
222.11189	1.0
235.07594	9.3
245.05887	1.6
253.08603	4.2
263.07010	42.6
265.08508	1.9
278.09335	4.5
280.07336	1.4
281.08005	1.0
285.11160	1.3
295.09686	25.3
297.11218	8.5
309.10901	1.9
327.12222	1.4
328.15451	3.9
340.11810	1.8
340.15424	19.7
350.13928	17.9
358.16409	18.3
358.46851	1.3
367.14224	1.1
502.20337	1.3
505.13614	1.4
520.20203	8.5
660.88037	1.2
682.27185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71763	0.3
60.35560	0.2
66.32558	0.3
95.08607	0.3
111.79247	0.3
117.78898	0.3
163.03860	3.2
215.71187	0.4
234.61952	0.3
275.09512	0.3
292.06561	0.5
292.09653	9.9
304.09747	2.0
306.07559	3.9
320.09143	10.9
321.09927	29.1
322.10379	0.4
334.10559	0.6
336.12277	100.0
337.12674	0.5
338.13580	1.3
339.14212	0.7
352.15402	0.4
354.19131	0.3
468.69104	0.4
682.26978	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71763	0.3
60.35560	0.2
66.32558	0.3
95.08607	0.3
111.79247	0.3
117.78898	0.3
163.03860	3.2
215.71187	0.4
234.61952	0.3
275.09512	0.3
292.06561	0.5
292.09653	9.9
304.09747	2.0
306.07559	3.9
320.09143	10.9
321.09927	29.1
322.10379	0.4
334.10559	0.6
336.12277	100.0
337.12674	0.5
338.13580	1.3
339.14212	0.7
352.15402	0.4
354.19131	0.3
468.69104	0.4
682.26978	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53022	0.5
58.06606	43.1
79.50697	0.5
82.29272	0.5
87.04393	0.5
92.20889	0.7
116.47147	0.6
125.09576	0.6
137.05974	9.5
138.28114	0.6
151.07544	1.0
153.05630	0.6
161.06017	2.6
163.07532	0.6
170.93703	0.6
175.07616	1.2
181.08705	1.3
187.07585	2.3
221.06094	0.6
237.09143	0.8
248.08549	1.1
249.09198	2.2
251.10742	3.0
261.09177	0.8
263.10596	0.7
265.08572	6.7
267.10245	0.8
275.10767	1.0
277.08585	20.4
278.09427	1.2
279.10193	0.9
280.86490	0.7
281.08554	0.7
281.11768	0.9
283.09732	0.8
289.08542	2.3
291.10236	2.2
294.08804	19.5
294.11795	0.8
297.11218	5.1
303.10217	2.9
308.10071	0.7
309.11179	54.5
311.12973	1.0
318.07544	0.9
319.08347	4.2
320.09042	6.2
321.11359	0.8
323.13199	0.6
334.10651	7.0
335.11047	0.9
336.12286	2.4
338.14124	1.0
438.90427	0.6
552.73969	0.7
637.24237	1.2
682.30151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39452	0.6
57.13718	0.7
58.06607	39.0
59.75973	0.7
65.39228	0.7
72.81841	0.8
76.05134	1.2
102.36826	0.8
105.45866	0.9
137.05969	14.9
161.06044	4.4
175.07637	4.9
181.08719	4.1
187.07567	1.8
199.07735	1.5
201.05840	0.9
203.07115	1.0
210.97064	0.9
229.10217	1.1
229.97098	0.8
243.08195	1.9
247.11317	1.4
251.10754	2.0
257.09570	7.1
259.07584	0.9
260.08325	8.0
263.10855	1.2
265.08679	1.8
271.07718	3.5
273.08939	1.1
275.10638	26.8
275.13321	1.2
285.09241	4.0
288.07791	12.6
288.10303	0.7
289.08698	0.8
290.08328	1.6
291.10434	1.5
297.11325	2.0
303.10165	38.6
304.06073	1.9
304.11142	1.5
317.11923	0.9
318.07870	4.4
319.08365	11.9
320.08997	7.7
321.10046	1.2
322.11093	1.9
334.10745	20.0
335.11401	1.2
336.12292	12.4
341.13956	1.1
371.15228	1.4
453.32349	0.8
533.20551	1.9
609.67804	0.9
652.28448	1.1
666.71759	1.0
682.30359	100.0
682.72894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88614	0.4
61.77853	0.4
66.66191	0.4
81.07066	0.7
88.83482	0.4
95.08591	0.5
99.62568	0.4
105.07034	0.7
107.08562	0.5
124.67911	0.5
133.10114	0.5
161.28188	0.5
165.05466	2.0
190.04984	8.8
248.92809	0.5
263.46133	0.5
290.08044	1.9
292.06107	2.4
292.09659	0.6
293.06833	0.6
303.05283	0.9
304.06027	0.9
318.07538	5.4
319.04858	0.6
319.08368	10.2
320.05490	3.1
321.06400	1.0
321.09872	0.8
331.04684	0.8
334.10703	21.0
336.12167	3.3
346.07141	3.3
348.05173	0.7
349.05795	6.9
364.08145	100.0
382.09332	4.5
682.29956	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17087	0.4
55.59593	0.5
58.06605	47.2
64.63304	0.6
68.47464	0.5
85.77512	0.6
109.54082	0.5
128.27124	0.6
133.06509	0.7
137.05963	9.9
151.07625	0.7
161.06055	3.0
165.12054	0.6
175.07556	1.0
187.07668	1.2
221.09729	1.0
222.75224	0.7
233.76501	0.6
249.09267	1.0
251.10725	2.7
261.09238	0.8
265.08701	6.0
267.10211	1.1
275.10806	1.0
276.07947	1.0
277.08572	22.4
278.09662	0.9
279.10229	1.4
281.11877	1.1
285.11124	1.0
289.08752	2.2
290.08356	2.4
291.10254	2.4
294.08826	20.0
294.11819	1.0
297.11230	5.1
303.10303	3.3
304.06137	3.6
304.72171	0.6
307.09824	1.1
308.10416	0.5
309.11188	53.4
311.12729	1.1
311.64316	0.6
318.07520	4.6
319.08383	13.1
320.09290	3.5
321.11478	0.8
322.10995	0.8
323.11603	0.9
334.10724	24.6
335.11520	1.3
336.12396	1.1
338.14063	3.2
350.10559	0.7
389.12198	0.7
540.97113	0.6
587.20728	0.7
595.19513	0.6
637.25153	1.2
665.19629	0.7
682.30353	100.0
682.72174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	41.8
60.59359	0.6
61.82808	0.6
76.58985	0.7
81.99367	0.7
92.20990	1.2
133.06464	1.1
137.05994	10.0
161.06030	3.8
175.07608	1.7
187.07559	1.7
237.09250	0.9
247.07509	1.2
249.09111	1.5
251.10741	2.8
265.08698	6.7
277.08612	20.7
278.09357	1.1
279.10101	1.0
281.11880	1.1
289.08722	1.6
291.10373	1.4
294.08878	20.0
294.11890	1.0
297.11310	4.4
303.10187	1.5
309.11197	57.9
311.12994	0.9
319.08536	1.4
320.09354	1.3
321.11139	0.9
327.16708	1.1
334.10922	5.0
335.12576	1.1
507.00565	0.9
584.03229	0.8
637.24451	1.1
682.30176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	41.2
61.12707	1.3
72.55223	1.0
86.99001	1.1
87.46568	1.1
92.20956	1.4
107.26722	1.3
118.65046	1.2
133.06506	1.6
137.05975	19.3
159.41283	1.2
161.05988	6.8
173.32034	1.2
175.07544	5.6
177.05476	1.5
181.08614	15.7
196.85185	1.4
199.07550	2.0
201.05310	1.5
203.06992	4.7
232.56686	1.3
243.07983	1.5
251.10760	2.4
257.09576	8.6
259.07462	2.0
260.08301	10.1
265.08575	2.3
271.07562	2.5
275.10648	27.5
285.09085	4.8
288.07739	12.2
290.08096	2.1
297.11374	2.4
303.10184	34.5
304.06076	1.4
304.10944	1.4
306.07556	4.7
308.09305	1.5
309.11264	2.5
318.07703	4.9
319.08420	15.6
320.08994	12.3
321.09869	2.7
322.10849	6.4
329.13992	1.6
334.07135	1.7
334.10712	35.4
335.11102	2.3
336.12225	7.7
337.13156	1.7
352.15558	2.0
371.15015	2.6
486.15024	1.5
515.19086	2.7
533.20081	6.3
607.24750	1.5
682.30707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13169	0.4
58.06610	43.8
61.21434	0.5
61.73813	0.5
63.65118	0.4
70.97433	0.5
82.74741	0.5
92.21524	1.1
94.03506	0.6
122.64162	0.5
126.42509	0.5
137.05988	9.4
151.07532	0.8
154.12343	3.1
155.12711	0.8
157.97742	0.7
161.06017	3.9
163.07700	0.6
175.07587	1.0
185.81789	0.6
187.07607	1.2
199.07596	1.0
203.96451	0.5
219.08208	0.5
220.83882	0.5
221.09682	0.9
248.08350	0.6
249.09227	1.3
251.10704	2.3
258.95517	0.6
259.07681	0.6
261.09250	0.8
265.08524	5.5
267.10306	0.7
270.77289	0.6
271.67535	0.7
275.06885	0.6
277.08588	19.8
278.09534	1.0
279.10324	1.0
281.11743	1.3
285.11301	0.6
289.08795	2.3
291.10263	2.3
294.08868	20.1
294.11862	1.0
297.11246	4.3
303.10355	3.0
307.09756	0.6
307.24286	0.6
309.11221	52.5
319.08310	1.0
320.09445	2.3
321.09622	0.5
321.10980	0.5
322.10608	1.0
324.08734	0.6
334.10754	3.8
336.12097	1.2
347.84918	0.6
368.51230	0.6
495.36575	2.3
501.17896	0.8
502.18671	0.8
538.49670	0.6
682.30243	100.0
690.36389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	38.3
65.54869	0.4
72.08162	0.8
105.04766	0.6
105.07056	0.7
111.37680	0.4
137.05969	13.4
138.06450	0.5
147.08075	0.6
161.05965	4.5
163.07681	0.5
175.07542	3.3
181.08646	0.7
187.07608	2.7
199.07585	1.8
229.10223	3.0
235.07561	0.6
243.08170	2.3
245.09631	1.1
247.07588	0.8
247.11172	0.9
251.10724	2.6
257.09567	7.8
259.07703	0.7
260.08337	8.0
263.10818	0.5
265.08850	0.6
271.07498	4.4
273.09253	2.1
274.09836	1.0
275.10641	28.6
277.08810	0.8
277.12604	0.8
279.10159	1.0
285.09048	4.3
287.10626	0.5
288.07776	11.3
289.08771	0.7
290.08328	0.5
291.10361	2.6
297.11273	2.0
303.10156	40.6
304.11093	0.6
307.09549	0.5
309.11182	0.9
311.12939	0.7
317.11768	0.9
318.07834	2.1
319.08472	4.5
320.09555	2.8
321.09964	1.1
322.10809	2.0
323.09790	0.7
334.07199	0.9
334.10748	8.2
335.12637	2.4
336.12387	2.0
349.09448	0.9
352.15924	0.6
456.14828	0.5
499.63834	0.6
533.20770	0.6
545.78717	0.5
607.23492	0.7
682.30273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	41.2
61.12707	1.3
72.55223	1.0
86.99001	1.1
87.46568	1.1
92.20956	1.4
107.26722	1.3
118.65046	1.2
133.06506	1.6
137.05975	19.3
159.41283	1.2
161.05988	6.8
173.32034	1.2
175.07544	5.6
177.05476	1.5
181.08614	15.7
196.85185	1.4
199.07550	2.0
201.05310	1.5
203.06992	4.7
232.56686	1.3
243.07983	1.5
251.10760	2.4
257.09576	8.6
259.07462	2.0
260.08301	10.1
265.08575	2.3
271.07562	2.5
275.10648	27.5
285.09085	4.8
288.07739	12.2
290.08096	2.1
297.11374	2.4
303.10184	34.5
304.06076	1.4
304.10944	1.4
306.07556	4.7
308.09305	1.5
309.11264	2.5
318.07703	4.9
319.08420	15.6
320.08994	12.3
321.09869	2.7
322.10849	6.4
329.13992	1.6
334.07135	1.7
334.10712	35.4
335.11102	2.3
336.12225	7.7
337.13156	1.7
352.15558	2.0
371.15015	2.6
486.15024	1.5
515.19086	2.7
533.20081	6.3
607.24750	1.5
682.30707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	41.2
61.12707	1.3
72.55223	1.0
86.99001	1.1
87.46568	1.1
92.20956	1.4
107.26722	1.3
118.65046	1.2
133.06506	1.6
137.05975	19.3
159.41283	1.2
161.05988	6.8
173.32034	1.2
175.07544	5.6
177.05476	1.5
181.08614	15.7
196.85185	1.4
199.07550	2.0
201.05310	1.5
203.06992	4.7
232.56686	1.3
243.07983	1.5
251.10760	2.4
257.09576	8.6
259.07462	2.0
260.08301	10.1
265.08575	2.3
271.07562	2.5
275.10648	27.5
285.09085	4.8
288.07739	12.2
290.08096	2.1
297.11374	2.4
303.10184	34.5
304.06076	1.4
304.10944	1.4
306.07556	4.7
308.09305	1.5
309.11264	2.5
318.07703	4.9
319.08420	15.6
320.08994	12.3
321.09869	2.7
322.10849	6.4
329.13992	1.6
334.07135	1.7
334.10712	35.4
335.11102	2.3
336.12225	7.7
337.13156	1.7
352.15558	2.0
371.15015	2.6
486.15024	1.5
515.19086	2.7
533.20081	6.3
607.24750	1.5
682.30707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40987	0.2
58.18340	0.2
75.05793	0.2
82.14679	0.2
82.44406	0.2
87.70378	0.2
140.05359	0.2
148.45479	0.2
264.74884	0.3
281.67136	0.2
292.09665	5.3
304.09625	0.6
306.07605	1.9
319.08328	0.9
320.09109	6.6
321.09958	21.4
334.10745	2.2
335.11194	2.0
336.12283	100.0
404.20270	0.3
628.64319	0.3
661.93481	0.3
682.32050	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15812	0.4
68.64842	0.4
69.43535	0.4
90.03726	0.4
95.66473	0.4
99.04435	2.0
119.75983	0.4
127.03838	0.5
131.10065	0.4
147.04410	0.6
221.85078	0.4
274.54599	0.4
285.07544	0.8
286.07761	0.6
287.08112	0.5
292.09674	7.1
304.06293	0.6
304.09637	0.9
306.07574	1.9
319.08325	1.8
320.09219	7.2
321.09946	19.4
334.10678	5.0
336.12283	100.0
682.21936	3.1
682.33502	1.0
712.28705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62132	0.2
58.13025	0.2
69.46031	0.2
75.08205	0.2
88.63747	0.2
98.90702	0.2
139.60887	0.2
172.58188	0.2
181.57730	0.3
204.47679	0.2
207.93492	0.2
262.85895	0.2
292.09668	5.5
304.09726	1.0
306.07654	1.5
319.08075	0.3
320.09106	5.6
321.09940	21.3
334.10690	0.4
336.12280	100.0
380.23032	0.2
523.47937	0.2
553.91907	0.2
682.31189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
57.07099	3.8
58.06604	19.2
60.67582	4.6
61.02926	18.8
67.05509	55.7
69.07063	19.4
71.08636	7.9
76.69639	3.8
79.05496	19.0
81.07059	72.9
82.65834	4.3
83.08627	10.9
85.02903	31.6
91.03951	33.3
91.05485	8.5
93.07030	21.2
95.08614	89.4
97.02895	10.8
105.06991	7.9
107.08598	21.4
109.10165	58.8
119.08572	7.4
121.10165	22.1
123.11664	20.4
127.03955	7.6
129.52147	4.9
133.10147	27.6
135.11697	8.8
147.11714	10.9
149.13261	20.5
151.14786	8.1
161.13290	17.9
163.05963	18.9
163.14787	4.6
175.14873	9.6
231.21115	57.8
249.22125	100.0
320.09122	9.7
321.09879	9.5
323.25778	42.1
330.20859	5.3
336.12231	28.2
341.26761	55.6
384.65207	5.3
682.31116	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.2
56.10316	8.3
57.03439	15.4
63.48335	9.0
67.05518	75.4
69.07060	44.0
79.05520	31.3
81.07066	100.0
83.08602	15.2
91.05483	18.0
93.07036	65.1
93.73093	9.9
93.88405	9.4
95.04976	10.1
95.08595	92.4
97.06526	12.5
97.10118	8.8
100.73745	8.9
101.91296	10.2
105.07021	22.4
107.08603	41.4
109.10160	44.8
119.08573	17.0
121.10144	38.2
130.65781	9.1
131.08563	14.2
133.10118	23.7
135.11720	43.8
144.13081	9.2
149.13177	10.6
158.50580	10.7
161.13277	16.6
225.69940	11.2
265.17889	38.0
293.17477	40.2
337.27362	46.2
349.23746	37.4
367.24704	12.3
530.69470	11.3
531.40662	34.1
571.43567	38.1
611.46399	19.1
629.45795	20.9
647.45178	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41743	0.5
81.03919	0.6
81.85195	0.6
174.05637	0.9
190.04990	0.8
290.04541	4.1
318.04126	4.5
334.10797	0.9
468.10141	0.8
480.07153	2.4
517.10217	1.3
597.12598	1.0
607.11401	1.1
609.13092	0.9
625.12323	18.2
639.14191	1.2
653.00775	1.1
653.11896	47.1
668.14209	12.4
683.16553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75612	1.0
52.51637	1.0
52.86707	0.9
56.77470	1.2
66.27797	1.2
80.43419	1.0
86.09720	2.2
88.30600	1.1
104.54710	1.3
140.94061	1.1
174.05490	1.5
178.05907	1.2
181.13370	7.6
190.05049	1.3
209.12901	5.7
225.07582	2.6
306.07724	5.4
318.07520	1.8
320.05685	1.6
320.09140	6.1
334.07111	2.6
334.10800	7.7
336.12637	1.4
337.12802	1.7
350.10193	10.1
354.58267	1.3
482.12131	2.2
489.10956	7.6
510.11990	3.0
517.10291	2.2
520.35443	1.8
581.13129	2.3
595.13715	1.4
605.13110	1.5
609.12994	11.2
610.14246	1.8
611.14874	4.8
623.14618	6.3
624.15363	13.6
639.13959	19.2
654.16260	6.6
655.16473	9.1
683.16608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
128.38411	0.9
138.49771	0.8
160.21249	0.9
165.04224	0.8
200.80756	0.7
240.58221	0.9
276.06543	1.8
278.08273	6.2
289.07416	1.1
304.06113	1.4
305.06897	4.7
306.07602	55.4
307.07999	1.1
317.06760	1.9
318.07541	4.0
319.08264	5.2
320.05499	9.6
320.09039	2.7
332.05429	2.0
334.07086	24.2
334.10815	6.3
335.07837	43.0
336.12363	1.1
349.09363	1.6
350.10208	100.0
358.35522	1.2
609.12378	3.6
624.15149	1.9
639.13776	3.7
653.14948	4.3
655.16895	5.3
683.16528	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85896	0.7
66.41891	0.5
68.18207	0.5
93.21217	0.5
99.04364	0.5
127.59774	0.5
149.15169	0.6
248.07080	0.9
278.08060	5.0
288.06543	1.1
290.08026	1.0
292.05951	0.7
294.07513	1.4
305.06827	5.5
306.07590	54.2
317.06924	1.0
318.07672	4.7
319.08328	3.4
320.05487	9.5
320.09103	2.3
332.05347	1.3
334.07101	20.1
334.10712	3.2
335.07846	43.4
349.09280	1.0
350.10211	100.0
468.28247	0.8
482.11996	0.7
609.12366	1.0
624.15314	0.6
639.15625	1.0
645.50623	0.7
653.15027	3.3
654.16602	0.9
655.16772	2.5
683.16589	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.4
60.32429	0.4
66.00416	0.4
67.30611	0.4
67.77608	0.3
94.85310	0.5
101.60410	0.4
118.06536	2.4
124.84898	0.4
132.08101	2.5
142.06497	0.6
144.08075	5.9
146.06015	38.3
159.09186	5.4
170.05997	2.2
188.07071	100.0
205.09738	34.7
254.32281	0.4
387.71585	0.5
397.01559	0.4
556.38763	0.5
683.24585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10538	3.1
53.98061	3.2
60.70402	3.4
66.41890	3.3
81.07062	4.4
84.11457	4.3
86.94013	3.8
89.65519	3.8
106.42800	4.4
152.81639	4.5
215.67239	3.9
313.72440	4.2
320.08469	4.2
334.10791	5.3
335.11459	5.1
388.89114	4.2
417.85675	4.3
419.22321	5.0
420.22867	7.3
447.21515	8.6
449.19305	8.6
463.21271	100.0
464.21848	18.4
465.22903	6.3
475.20822	41.0
477.22925	19.3
490.19751	4.7
491.20850	21.4
505.22272	23.3
519.23846	62.5
521.22339	5.0
533.21948	8.8
536.24066	39.6
537.25177	33.6
563.22919	4.9
579.25922	5.3
623.24933	74.1
683.27600	85.7
683.48547	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20334	1.0
75.23714	1.1
93.07076	1.1
168.55402	1.1
175.14832	1.3
283.73569	1.3
330.38477	1.2
421.23813	1.9
423.69199	1.4
473.23492	5.0
474.24823	1.7
475.21835	5.0
476.22470	2.4
477.22815	1.7
485.23532	6.7
486.19925	1.7
489.23151	2.8
495.27707	6.9
499.21387	6.6
503.24429	15.6
513.23462	1.7
515.24207	2.7
517.22363	2.5
531.23926	5.8
533.25653	4.7
559.23407	1.4
577.27960	4.4
591.27002	1.6
595.28503	2.3
605.27600	29.8
633.27405	10.5
665.29456	2.2
683.30682	100.0
683.47833	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3073
Annotation	2,7-Dideacetyltaxuspine X
Peak:m/z	Relative Intensity
51.56918	1.1
53.42110	0.9
56.50207	1.1
58.05005	1.0
63.67907	1.1
67.64978	1.2
80.87474	1.1
81.07064	1.4
83.44789	1.1
89.03629	1.2
99.75099	1.3
117.73000	1.5
308.67914	1.3
407.22699	1.9
449.85651	1.3
459.21960	5.8
473.23206	11.1
476.21906	2.4
485.23410	11.3
487.25037	2.4
495.27344	2.5
499.21448	3.1
500.22424	1.8
503.24609	7.9
513.23340	2.7
515.24371	6.1
517.22467	1.5
531.24316	5.4
533.25555	11.7
559.22949	1.9
577.28253	8.1
585.45337	2.4
586.92389	1.4
605.27539	53.1
605.37250	2.0
633.26819	10.7
665.29614	36.9
683.30792	100.0
683.44415	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44701	0.2
56.04415	0.2
56.14373	0.2
57.35166	0.2
58.06606	30.1
83.01292	0.2
84.31935	0.3
131.15709	0.3
209.09642	0.6
233.05945	0.4
237.09113	4.5
265.08575	31.0
266.09442	0.4
267.10068	0.5
269.11716	0.7
279.10117	1.8
281.11603	0.3
282.08829	8.2
284.10492	0.7
297.11197	44.2
299.12756	5.7
311.12787	1.3
342.16989	100.0
384.77353	0.4
537.53253	0.4
624.53357	0.3
683.33588	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49166	0.4
57.79299	0.3
58.06604	35.8
66.84457	0.4
84.34719	0.4
222.06741	0.6
237.09042	4.3
265.08569	34.5
266.36429	0.5
267.10126	0.8
269.11670	0.7
279.10153	1.6
282.08902	6.6
284.10333	1.0
297.11191	46.8
299.12802	7.0
311.12735	1.9
320.40540	0.4
342.16986	100.0
440.53714	0.5
683.32965	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03716	0.4
57.25616	0.4
58.06606	33.7
58.86204	0.3
71.07825	0.3
75.00259	0.3
96.65170	0.4
137.51164	0.4
219.08096	0.5
237.09058	3.3
239.10602	0.5
247.07370	0.5
247.90750	0.5
265.08575	33.2
269.11694	0.7
279.10226	1.7
282.08936	5.2
284.10483	1.6
297.11188	45.0
299.12823	6.7
311.12555	0.5
342.16983	100.0
351.51205	0.5
576.91309	0.5
637.76361	0.5
683.34167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03716	0.4
57.25616	0.4
58.06606	33.7
58.86204	0.3
71.07825	0.3
75.00259	0.3
96.65170	0.4
137.51164	0.4
219.08096	0.5
237.09058	3.3
239.10602	0.5
247.07370	0.5
247.90750	0.5
265.08575	33.2
269.11694	0.7
279.10226	1.7
282.08936	5.2
284.10483	1.6
297.11188	45.0
299.12823	6.7
311.12555	0.5
342.16983	100.0
351.51205	0.5
576.91309	0.5
637.76361	0.5
683.34167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77526	0.3
52.39553	0.3
57.08134	0.3
58.06606	32.1
73.04463	0.3
73.42575	0.4
87.47398	0.4
116.06567	0.4
124.21140	0.4
125.98541	0.4
147.04459	2.7
165.37665	0.4
177.05507	0.6
191.08607	0.5
219.07953	0.4
237.09186	3.8
265.08566	30.3
267.10184	0.7
269.11734	0.8
279.10101	2.3
282.08850	5.7
284.10349	1.8
297.11200	41.4
299.12805	5.8
311.12656	0.9
342.16983	100.0
366.52008	0.4
410.50049	0.5
563.16101	0.5
654.44208	0.5
683.32794	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98177	1.6
55.05510	7.8
57.03439	4.4
57.07084	61.1
58.85534	1.7
61.02924	12.1
67.05517	16.5
69.07059	12.9
71.08633	62.7
73.02916	7.8
81.07056	30.2
83.08616	17.2
85.02903	18.6
85.10177	37.0
89.06057	1.9
91.03970	23.1
95.08610	40.5
97.02892	9.8
97.10155	20.9
99.08082	2.0
109.10150	22.9
111.11703	10.4
123.11697	12.6
127.03922	8.3
128.46069	2.2
145.04941	4.0
152.64349	2.2
163.05994	9.4
216.45251	1.9
226.14293	2.0
267.26740	15.3
275.08960	2.2
285.27911	2.7
299.80771	2.1
336.12177	2.7
341.30484	100.0
359.31552	66.6
359.35822	2.7
423.74982	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59925	0.6
58.06607	1.1
64.73843	0.7
114.09147	0.9
163.35748	0.7
226.63675	0.7
248.89911	0.7
290.08105	12.5
302.03052	0.7
302.08041	3.1
304.06027	9.8
318.07602	13.1
319.08389	58.9
320.09015	1.5
322.10730	1.3
324.11859	0.9
334.10727	100.0
336.12268	5.8
337.12921	1.0
352.15366	5.3
445.93768	0.8
668.61481	0.8
684.20575	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.3
60.67918	0.2
71.92273	0.2
100.23741	0.3
114.09190	1.4
171.10329	0.3
209.16440	0.3
290.08081	8.9
302.08060	2.6
304.06027	10.6
304.09506	0.4
308.09000	0.3
318.03827	0.5
318.07581	14.0
319.08383	56.7
320.09091	1.2
322.10742	0.6
324.12170	0.6
334.10721	100.0
335.11014	0.5
336.12204	1.3
337.12811	0.3
352.15402	0.4
373.79794	0.3
457.48892	0.3
459.40866	0.3
684.20483	37.9
702.15143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.7
63.73754	0.3
76.36192	0.3
81.91574	0.3
110.74891	0.3
123.19497	0.4
125.56678	0.4
169.81259	0.4
188.06758	0.4
221.80447	0.4
245.13797	0.4
276.06598	0.4
285.38779	0.4
290.08072	10.3
302.08234	2.2
304.06015	8.2
307.08441	0.4
318.07639	12.3
319.08383	57.3
320.09100	0.4
322.10641	1.9
323.11380	0.5
324.12216	1.5
334.10724	100.0
335.11154	0.5
336.12146	2.0
337.12936	0.6
352.15344	3.4
380.56808	0.4
551.98975	0.4
684.20496	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.7
63.73754	0.3
76.36192	0.3
81.91574	0.3
110.74891	0.3
123.19497	0.4
125.56678	0.4
169.81259	0.4
188.06758	0.4
221.80447	0.4
245.13797	0.4
276.06598	0.4
285.38779	0.4
290.08072	10.3
302.08234	2.2
304.06015	8.2
307.08441	0.4
318.07639	12.3
319.08383	57.3
320.09100	0.4
322.10641	1.9
323.11380	0.5
324.12216	1.5
334.10724	100.0
335.11154	0.5
336.12146	2.0
337.12936	0.6
352.15344	3.4
380.56808	0.4
551.98975	0.4
684.20496	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17894	0.3
137.05925	0.3
151.07530	2.4
175.07623	0.3
262.09677	0.4
265.12222	0.4
290.08072	9.2
302.08075	3.4
304.06033	10.7
318.07608	14.4
319.08386	53.7
320.09277	0.4
322.10849	0.3
323.11548	0.6
324.11771	0.4
325.14401	1.3
334.10730	100.0
336.12216	1.1
338.13785	0.4
355.15305	0.4
513.11993	0.3
528.16290	0.5
684.20410	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41492	0.6
53.31985	0.7
53.55817	0.7
53.86972	0.6
55.14608	0.8
55.58957	0.7
62.34018	0.7
78.52011	0.7
90.71397	0.9
93.85300	0.8
101.58385	0.7
105.07001	0.9
109.80563	0.8
118.70280	0.8
129.80348	0.7
133.06511	1.4
136.05203	3.0
137.05963	3.5
151.07544	45.8
151.75829	0.7
161.05983	6.7
175.07532	14.3
187.07520	6.0
199.07602	2.9
217.08566	1.1
230.25584	0.8
234.10477	1.1
236.29601	0.9
258.37347	0.7
261.09079	1.1
262.09830	1.4
265.12207	8.4
279.10278	0.8
290.08136	11.6
291.10086	1.1
293.11719	3.4
294.12430	2.9
302.08124	1.7
304.05954	9.2
305.11655	1.9
306.12524	1.6
318.07532	15.2
319.08392	60.3
320.09247	1.0
322.11096	1.0
325.14380	18.8
334.10727	100.0
336.12167	1.8
337.14273	5.4
355.15250	9.7
515.83081	0.8
684.20502	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.5
60.09056	0.4
92.21603	0.5
97.61767	0.4
265.17792	0.4
276.06659	0.5
278.08835	0.5
290.08112	10.7
302.07980	3.5
304.06039	10.1
318.07629	11.7
319.08389	53.8
320.09109	5.2
322.10724	0.8
323.11221	0.6
334.10718	100.0
335.11221	0.7
336.12335	4.5
337.13025	3.2
338.13779	1.8
352.15408	11.6
388.08261	0.5
520.86755	0.5
684.20581	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.25
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27431	0.6
69.03429	1.0
85.02923	3.1
97.02883	2.1
106.35992	0.6
110.02342	0.7
127.03954	3.3
127.91783	0.7
137.05984	1.2
151.03932	0.8
151.07454	2.2
153.05544	1.0
164.07104	4.3
178.08675	0.9
179.09409	2.6
190.08667	2.7
192.10193	39.4
206.08141	5.3
207.08092	1.1
208.09653	7.9
211.07559	8.7
223.07596	1.1
225.09221	1.4
235.07533	0.9
239.07040	6.8
251.07019	2.9
253.00005	0.6
253.08549	4.9
256.07239	0.9
257.08115	1.5
265.08514	1.0
267.06595	0.8
271.09637	28.1
282.11276	0.9
283.09561	7.4
292.09680	0.9
293.08136	5.0
299.09128	1.6
311.09174	1.4
312.09818	1.0
314.13828	9.7
324.12534	2.5
325.13614	0.7
328.06873	0.7
328.11615	1.2
342.13373	67.6
360.14517	3.1
504.18591	2.7
522.19867	6.3
684.24939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68106	0.3
63.55543	0.3
75.04462	0.7
81.03387	1.5
85.02913	0.8
89.03925	1.4
91.05453	1.5
93.03389	2.9
93.07049	0.7
95.04958	0.6
103.05470	0.5
106.04198	2.6
107.04948	0.7
117.03378	6.4
119.04929	0.8
121.06486	5.0
125.06001	2.6
131.04955	0.5
134.03625	0.4
135.04373	0.6
145.02841	55.8
147.04399	0.7
148.43831	0.3
149.05965	16.5
151.07513	1.3
153.05440	0.7
153.09148	4.6
154.06213	0.4
163.03883	0.8
163.07547	0.8
167.07027	6.7
173.05960	0.6
175.03908	2.5
177.05457	100.0
179.06999	3.6
180.07811	4.0
181.08583	6.5
182.09431	3.1
189.05490	0.4
191.07008	4.4
192.07829	4.6
193.04967	0.4
201.05457	15.5
209.08076	41.0
210.08849	3.3
213.05524	0.5
215.10640	0.5
219.06526	1.5
231.06447	3.1
249.07578	1.3
303.06311	0.4
321.09521	0.6
335.09204	1.8
355.11758	8.1
356.11407	0.4
367.11694	5.4
385.08002	0.7
385.12741	9.9
403.13754	4.2
441.53772	0.4
518.11591	0.4
565.19244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03429	0.7
59.39309	0.3
66.35227	0.3
69.03422	0.6
71.05001	7.7
73.02887	0.4
75.04480	0.4
83.04980	2.3
83.82650	0.3
85.02907	12.7
87.04462	0.4
91.68507	0.3
97.02884	0.8
99.04457	1.4
109.02844	0.4
110.55132	0.3
111.04464	1.2
116.37405	0.3
117.05490	0.6
127.03917	0.8
129.05464	1.8
129.07002	2.3
131.08568	2.4
135.04401	0.3
137.05997	2.2
141.06987	1.7
143.08542	0.5
145.04912	0.6
147.04425	0.5
149.06055	0.3
157.06477	5.8
159.07977	3.0
161.06079	0.5
163.05978	1.6
163.07275	0.3
166.32903	0.3
169.06499	1.9
171.08105	1.3
173.05988	3.4
175.07539	0.6
177.05496	0.6
187.07529	22.2
189.09148	2.5
199.07545	7.7
201.09109	6.5
205.08530	0.4
207.06558	0.5
217.08591	100.0
219.10138	1.5
235.09624	6.8
240.12776	0.4
242.81859	0.4
307.53564	0.3
319.08261	0.4
320.09131	5.8
321.09799	2.1
322.09900	0.4
327.12323	0.5
334.10800	0.7
336.12305	5.2
337.12601	2.2
345.13428	0.5
620.08698	0.3
684.21411	0.6
684.33252	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92500	1.3
57.10096	1.0
58.58165	1.3
62.46554	1.1
69.03446	5.2
78.91885	1.1
81.03436	5.3
85.02922	7.3
91.05507	1.6
101.69062	1.2
103.67798	1.4
107.04985	1.8
109.02881	2.1
111.76875	1.4
112.96304	1.4
119.04958	17.6
131.04996	1.6
137.05968	12.7
145.02835	2.2
147.04417	19.8
149.05995	2.8
155.07053	2.2
161.06015	2.8
162.06786	2.1
163.03908	2.5
167.07007	10.1
175.03891	70.4
177.05452	17.0
179.07042	7.1
181.04958	1.8
191.03465	1.4
191.07066	8.9
205.04953	52.3
205.06741	2.4
207.06517	100.0
219.06552	4.8
221.69264	1.3
223.06023	9.6
229.08586	1.7
233.08080	3.0
245.11763	1.8
261.11346	7.0
289.10608	3.0
307.11847	6.4
319.08194	2.2
320.09122	16.3
321.09598	2.2
322.10641	2.0
334.10703	4.9
336.12457	9.4
351.10547	2.1
354.75385	1.5
355.11819	7.4
367.12054	2.5
369.11942	1.4
385.12738	9.1
410.49637	1.4
469.17197	5.0
557.43359	1.5
565.18787	1.8
684.16760	2.2
684.26849	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.6
62.89371	0.3
71.04765	0.3
71.49251	0.3
72.86877	0.3
78.84379	0.3
91.05430	0.3
93.07015	0.4
95.02352	0.3
103.21899	0.3
114.64861	0.3
121.06532	0.5
135.68770	0.3
135.74113	0.3
137.05931	0.5
164.89587	0.3
203.99481	0.4
292.09595	0.5
307.12198	0.4
308.12759	11.7
319.08145	0.4
320.09097	1.4
320.12769	2.2
321.09909	2.0
322.10739	5.8
334.10696	1.9
336.09366	0.5
336.12280	19.7
337.13046	31.9
338.13535	1.3
348.36279	0.4
352.15427	100.0
684.29205	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82789	0.1
58.06579	0.3
78.64137	0.2
78.86151	0.2
81.07032	0.2
96.81403	0.2
97.06198	0.2
119.08585	0.2
126.23778	0.2
141.49136	0.2
230.02473	0.2
292.09689	0.7
308.12814	11.5
320.09268	0.6
320.12830	2.6
321.09872	1.2
321.13327	0.3
322.10709	6.1
323.11346	0.4
334.10602	0.7
336.12296	20.8
337.13074	31.7
338.13818	1.2
352.15433	100.0
512.91156	0.2
684.29077	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98538	0.4
58.06607	21.7
64.86302	0.6
69.03440	1.3
85.02907	5.5
91.05478	0.7
97.02909	2.3
103.05473	0.7
105.07063	2.4
115.39641	0.6
119.04222	0.8
119.04940	6.3
131.04944	8.7
133.06497	6.7
137.05978	41.5
151.07536	26.9
163.07587	1.1
165.09126	3.5
181.08585	14.8
198.63206	0.6
237.09123	1.0
241.72319	0.6
265.08554	9.4
267.10217	1.2
282.08939	3.0
291.10190	0.8
297.11160	19.2
297.14157	1.1
309.11340	2.7
321.11050	0.7
342.17203	3.3
353.13849	3.2
417.13083	5.6
431.15228	0.9
445.16403	0.9
462.16928	2.7
477.19061	5.5
522.24969	3.1
642.93329	0.7
648.04266	0.8
655.40411	0.7
684.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98538	0.4
58.06607	21.7
64.86302	0.6
69.03440	1.3
85.02907	5.5
91.05478	0.7
97.02909	2.3
103.05473	0.7
105.07063	2.4
115.39641	0.6
119.04222	0.8
119.04940	6.3
131.04944	8.7
133.06497	6.7
137.05978	41.5
151.07536	26.9
163.07587	1.1
165.09126	3.5
181.08585	14.8
198.63206	0.6
237.09123	1.0
241.72319	0.6
265.08554	9.4
267.10217	1.2
282.08939	3.0
291.10190	0.8
297.11160	19.2
297.14157	1.1
309.11340	2.7
321.11050	0.7
342.17203	3.3
353.13849	3.2
417.13083	5.6
431.15228	0.9
445.16403	0.9
462.16928	2.7
477.19061	5.5
522.24969	3.1
642.93329	0.7
648.04266	0.8
655.40411	0.7
684.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98538	0.4
58.06607	21.7
64.86302	0.6
69.03440	1.3
85.02907	5.5
91.05478	0.7
97.02909	2.3
103.05473	0.7
105.07063	2.4
115.39641	0.6
119.04222	0.8
119.04940	6.3
131.04944	8.7
133.06497	6.7
137.05978	41.5
151.07536	26.9
163.07587	1.1
165.09126	3.5
181.08585	14.8
198.63206	0.6
237.09123	1.0
241.72319	0.6
265.08554	9.4
267.10217	1.2
282.08939	3.0
291.10190	0.8
297.11160	19.2
297.14157	1.1
309.11340	2.7
321.11050	0.7
342.17203	3.3
353.13849	3.2
417.13083	5.6
431.15228	0.9
445.16403	0.9
462.16928	2.7
477.19061	5.5
522.24969	3.1
642.93329	0.7
648.04266	0.8
655.40411	0.7
684.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20579	0.4
58.06607	26.2
61.02947	0.6
65.46423	0.4
69.03443	2.2
70.06635	0.5
70.28098	0.5
73.02923	0.7
81.03432	1.2
85.02918	3.6
91.05485	1.3
97.02910	2.0
99.04482	0.9
103.05503	2.0
105.07049	2.9
109.02944	0.7
119.04937	8.7
127.03896	0.6
131.04924	8.2
133.06493	6.0
136.05214	0.6
137.05977	41.7
143.05368	0.5
145.02930	0.5
145.04826	0.6
149.05986	0.9
151.07542	25.4
151.08762	0.9
163.07564	1.3
165.09135	4.4
169.34561	0.5
177.05412	1.8
181.08594	15.8
181.10071	0.9
219.07973	0.6
233.05997	0.6
237.09177	0.8
247.60794	0.6
251.01706	0.5
265.08597	9.2
267.10324	2.3
271.60782	0.6
282.08780	4.1
291.10449	1.2
297.11209	18.2
299.12878	1.2
303.10471	0.8
309.11319	2.7
342.17062	3.7
353.13925	3.1
417.13214	6.6
445.16562	1.1
462.17078	2.8
477.19138	6.6
522.25122	1.0
587.05524	0.7
643.14777	0.6
684.30243	100.0
712.59412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50591	0.8
68.05032	9.9
70.06595	54.2
73.02918	1.2
85.02920	1.1
86.06074	13.8
86.09721	2.0
92.20981	1.1
93.07321	0.9
96.04499	8.6
105.28448	1.2
108.43587	1.0
112.20170	1.0
114.05537	8.0
115.03897	1.0
116.46083	0.9
122.42806	0.8
128.07098	6.1
132.06552	16.7
132.07362	1.0
133.04988	4.5
142.04982	6.7
151.67303	1.0
164.72295	0.9
183.11281	7.4
183.14906	19.1
192.06689	1.8
211.10880	4.4
211.14360	8.2
218.10201	3.1
227.10269	9.1
236.34245	1.0
245.11319	100.0
270.07764	1.2
274.70602	1.0
287.06607	1.1
287.12405	10.7
341.13351	2.4
342.16617	13.2
377.15512	40.7
474.20847	50.3
552.30505	5.9
557.48138	1.0
684.24579	2.5
684.34509	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
57.75639	1.1
58.06592	6.5
65.57840	0.9
69.03429	2.0
69.07068	2.2
71.04980	5.2
81.03433	9.6
85.02900	7.8
93.07072	1.1
97.02900	5.4
99.04456	83.2
107.08591	1.5
109.10144	8.9
117.05496	4.3
127.03889	2.2
127.11189	9.3
135.11729	1.9
137.05994	2.2
149.06001	7.1
153.12755	4.8
175.03844	8.5
177.05473	4.6
181.04980	1.6
185.09689	1.8
187.11249	1.8
189.09119	11.9
193.04953	18.2
195.06616	1.8
199.03938	1.5
199.07643	1.3
199.11134	1.4
201.09062	2.4
203.10698	5.3
207.06564	11.5
213.05566	1.3
213.09102	4.8
215.10637	2.1
217.04984	2.0
217.08557	1.7
217.12077	1.6
225.07524	2.0
227.10735	1.6
229.08560	4.4
231.10095	19.5
241.08545	5.6
243.10190	1.9
245.66125	1.2
249.11192	100.0
255.10097	1.1
255.13623	1.4
257.15457	2.0
259.06216	1.5
261.09555	1.8
269.15268	11.0
273.11169	10.9
285.14856	1.5
287.16455	11.0
293.17914	1.2
297.14774	2.1
309.11102	2.6
310.11310	2.1
315.15915	12.3
318.07635	1.6
319.08472	9.6
320.09140	9.2
325.21494	5.3
327.16266	1.2
329.17496	18.7
333.16977	5.0
334.10724	23.6
335.11322	1.7
336.12271	2.2
343.22656	7.0
353.21039	6.4
359.15500	1.2
371.22189	18.7
389.23169	28.2
413.23080	7.6
684.20013	6.1
684.31549	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.3
57.03443	3.6
57.07081	13.5
61.02927	18.9
62.69803	1.4
67.05511	18.9
67.34418	1.7
69.03421	2.1
69.07076	19.8
69.40451	1.4
71.08630	11.6
71.62358	1.7
73.02902	6.8
79.05515	3.8
81.07057	27.6
83.08623	25.4
85.02902	29.3
85.10180	3.9
91.03956	26.1
93.07046	13.6
94.94027	1.6
95.08611	38.6
97.02895	11.4
97.06525	4.2
97.10169	19.4
107.08627	12.6
109.10155	19.4
111.08068	2.6
111.11736	6.3
121.10136	47.9
123.11715	3.8
125.09593	3.8
127.03934	8.4
135.11682	34.1
137.13248	3.6
139.11203	2.7
141.69138	1.7
145.04955	9.8
149.13280	18.6
163.05928	12.9
163.14830	3.0
177.16399	6.6
188.00665	1.9
233.22606	23.0
251.23639	34.4
269.24725	7.7
313.27426	7.3
320.09207	34.7
325.27368	30.8
331.28458	3.7
343.28415	100.0
684.35217	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.0
57.03443	2.5
57.07078	6.7
61.02937	19.9
67.05506	14.9
67.19724	1.0
67.26842	1.1
69.07072	18.1
71.08636	5.8
72.63461	1.4
73.02911	6.1
79.05485	6.0
81.07065	26.8
83.08629	23.6
85.02908	22.7
85.10168	2.6
90.81510	1.0
91.03954	18.8
92.21764	1.4
93.07045	8.0
95.08606	27.7
97.02897	11.8
97.06534	6.7
97.10174	18.2
99.08130	1.7
106.22983	1.2
107.08604	9.4
109.10151	11.8
110.96226	1.2
111.08083	6.0
111.11719	8.9
118.11473	1.3
121.10152	27.8
123.11694	8.5
125.27699	1.3
127.03923	6.2
128.99194	1.4
135.11694	28.9
137.13237	5.6
139.11189	2.9
145.04974	5.1
145.19582	1.3
149.13271	12.6
151.14806	6.4
163.06018	7.5
163.14812	5.9
177.16426	2.0
233.22607	24.2
249.99319	1.3
251.23705	34.4
269.24854	3.0
320.09067	24.2
325.27386	32.7
343.28427	100.0
684.35059	8.8
710.41895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.2
55.63025	1.0
57.27491	1.0
58.33764	0.9
62.06073	1.4
63.02407	0.8
67.05508	1.8
69.07072	1.3
73.02925	1.6
81.03419	2.0
81.07069	2.5
85.02940	1.1
91.05489	1.6
93.07053	1.1
95.08627	2.1
99.04471	10.7
105.07053	1.7
107.08603	1.5
109.10168	1.5
119.08615	1.1
121.10119	1.3
131.08565	1.9
147.11708	1.5
151.55099	1.1
227.23497	1.1
252.97794	1.2
261.21860	1.5
292.09546	2.4
304.09845	1.5
319.08218	4.5
320.09061	12.8
321.09982	11.4
334.10693	2.2
335.10992	5.5
336.12274	100.0
337.12668	1.7
366.08945	1.5
369.24329	1.5
458.01953	1.2
485.28674	4.7
503.29968	2.0
553.43372	1.2
684.37427	1.8
692.98297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
55.05528	19.6
55.05742	2.3
57.03439	5.8
57.07069	2.9
57.49366	1.9
67.05513	100.0
69.07066	32.0
71.08621	10.7
79.05495	25.0
81.06612	4.5
81.07064	78.7
83.04990	2.9
83.08614	25.5
85.06561	2.5
91.05477	16.4
93.07040	39.1
95.04978	3.6
95.08608	59.7
97.06516	2.9
97.10174	18.2
99.08102	11.2
105.07023	12.7
107.08588	27.0
109.10162	71.1
109.10900	3.9
111.08081	10.7
111.11736	3.2
113.09644	2.5
113.13280	2.5
115.73367	2.3
117.06935	2.7
119.08590	12.5
121.10140	14.7
123.11699	12.4
125.09638	12.2
131.08598	3.4
133.10124	15.1
135.11671	15.7
137.09612	3.8
137.13245	3.2
147.11696	10.8
149.13258	15.4
151.11122	9.0
159.11664	3.0
161.13251	4.9
163.14807	3.9
173.11728	13.7
175.14862	5.2
177.12718	4.1
179.22766	2.5
189.11128	2.7
193.49002	2.5
227.12743	16.8
229.14349	24.8
247.30760	2.5
269.17526	16.1
277.21616	11.6
289.05286	3.1
298.65320	2.2
334.10641	3.0
337.23407	4.1
337.27319	51.3
351.25177	9.1
353.11990	2.6
354.10370	2.4
369.26270	5.6
397.01755	2.5
432.63171	3.8
491.37268	57.3
531.32831	4.3
531.40430	88.3
613.48364	27.2
631.49323	36.3
658.72375	2.9
684.44391	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83116	2.8
55.01862	3.5
55.05523	28.5
57.03442	15.4
57.07088	5.0
60.49904	2.4
62.17058	2.6
65.03928	3.0
67.05508	100.0
69.07068	42.0
71.04970	3.2
71.08636	13.6
76.07594	2.8
79.05493	29.5
80.21790	2.7
81.07065	85.4
83.08614	32.2
85.06557	3.2
91.05470	17.5
91.47281	2.9
93.07040	44.3
95.08599	72.0
97.06536	6.9
97.10152	23.2
99.08090	12.1
105.07037	14.8
107.08595	32.1
109.10157	74.0
111.08084	12.9
117.07014	3.8
119.08580	17.3
121.10126	15.9
123.11691	14.4
123.46758	2.7
125.09618	16.7
133.10130	17.1
135.11702	15.8
137.09610	4.0
147.11725	13.7
149.13272	16.3
151.11185	5.9
155.10599	3.3
158.25197	3.3
159.11630	4.7
161.13275	4.6
163.14847	2.8
170.11031	3.0
173.11807	5.3
189.11217	3.9
194.50639	3.6
227.12735	23.4
229.14383	44.8
259.86169	3.7
269.17435	17.1
277.21515	6.3
337.27344	79.7
351.25177	11.1
369.26340	14.0
491.37323	54.9
498.14636	3.7
531.40546	71.0
613.48077	32.5
625.36676	3.7
631.49310	44.6
684.43976	18.7
684.55292	5.0
710.13513	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	16.3
56.55936	10.7
57.14393	10.2
58.74963	12.8
67.05523	100.0
69.07095	19.1
71.08667	19.5
79.05492	14.9
81.07058	93.8
81.09596	15.9
83.08651	21.7
91.05506	25.5
93.07074	51.1
95.08624	74.6
96.60774	14.2
97.10163	17.2
99.08173	16.7
107.08624	23.5
109.10167	85.3
119.08546	20.1
121.10183	21.8
125.09692	20.5
133.10135	20.1
135.11705	28.3
227.12935	15.2
229.14441	27.0
234.93048	14.8
305.27740	12.9
336.12421	19.3
337.27377	23.2
343.63110	14.8
351.25455	29.3
369.26190	16.8
491.37531	20.1
531.40234	81.8
554.12262	17.2
631.49438	26.5
684.44330	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81167	18.3
57.07076	23.2
61.23977	21.7
61.69055	23.5
71.08627	44.2
89.06036	100.0
116.85784	23.7
133.08617	31.6
140.81714	24.5
146.89381	24.6
184.25574	25.3
221.31239	25.0
290.67337	24.6
600.61383	25.5
606.70996	28.9
667.53424	52.4
684.56708	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05400	0.9
73.83296	0.9
123.94258	0.9
165.57016	1.0
190.04979	0.9
201.39392	1.0
263.09305	8.6
278.08118	22.6
290.07944	1.7
291.08954	18.2
292.09222	1.0
299.38443	1.0
306.07462	6.8
307.08392	16.4
308.09064	4.8
318.07550	1.5
319.08429	1.5
320.05383	3.3
320.09018	4.9
321.09637	1.1
322.07098	85.2
322.10498	3.6
323.11581	1.4
334.06805	1.4
334.23395	1.9
335.07690	1.8
336.12186	4.0
350.06387	46.0
350.10226	10.9
356.41534	1.0
362.10074	1.6
374.09805	0.9
378.06042	19.9
392.08859	1.1
453.14603	1.2
456.34387	1.2
466.08725	1.7
481.13983	7.2
639.17871	6.8
653.17694	1.2
685.13983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61889	0.5
61.34943	0.5
63.73819	0.6
66.41100	0.6
74.25955	0.5
97.77254	0.6
117.95249	0.7
256.25183	0.7
271.47525	0.6
277.07343	8.4
278.08075	3.7
281.16156	0.6
290.08243	1.4
291.05347	1.0
292.06076	2.3
292.09668	0.9
294.11169	0.7
304.06039	1.2
306.07596	55.7
307.08063	3.4
308.08521	0.7
318.07660	4.5
319.08432	7.4
320.05527	2.6
320.09149	8.5
321.06165	3.5
321.09903	27.4
322.10678	1.0
323.11569	1.1
334.06976	1.0
334.10675	11.6
335.07712	2.5
335.11084	3.0
336.08478	3.1
336.12268	2.7
350.10181	4.6
351.10648	1.1
352.10944	1.5
364.08081	14.3
468.14313	1.2
583.14801	0.8
597.15973	0.8
609.13129	1.4
611.13989	1.4
625.16412	0.9
627.13544	6.9
639.13770	2.3
641.15247	8.0
653.15393	4.5
655.13458	19.4
667.15155	1.1
669.15021	17.1
670.16193	1.4
685.18127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.0
66.73786	0.6
78.39608	0.7
81.07041	1.0
84.61887	0.6
99.04478	1.8
114.09187	0.8
175.03912	1.8
207.06541	3.4
208.06958	0.9
292.09659	0.9
320.09058	1.4
321.09897	3.5
334.10727	4.2
335.10904	1.1
336.12292	7.9
337.12741	3.7
338.13608	1.5
359.74380	1.0
414.23145	1.0
459.68695	0.8
475.12759	3.1
505.17389	1.0
581.13568	1.0
583.14484	3.2
609.14337	1.0
611.14313	4.5
613.15936	1.8
624.14008	1.0
625.15747	1.5
627.13898	4.9
641.15399	17.0
649.95654	0.8
653.15363	7.8
655.13464	12.2
669.15076	23.4
670.16339	1.3
685.17999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53308	2.0
57.52675	1.8
67.05491	3.3
70.36317	2.5
80.17234	2.2
81.07056	3.3
82.44646	2.1
83.08627	4.3
85.02920	4.0
95.08606	4.3
96.29343	2.2
107.08626	3.2
108.08997	2.5
121.10187	3.6
135.11664	3.7
136.12036	2.2
154.47966	2.5
190.04944	2.8
251.23436	3.3
252.24123	2.5
301.12085	2.5
320.09180	13.1
321.09512	8.8
325.27393	4.0
326.27698	2.6
343.28430	3.5
344.28717	10.0
554.04309	2.4
599.13983	2.5
627.13739	22.5
655.13422	60.4
670.15424	14.4
685.18005	100.0
685.30511	3.6
685.35461	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07995	1.1
57.07184	1.1
75.34749	1.2
114.34697	1.2
123.72015	1.6
152.17339	1.5
164.04903	1.3
172.99377	1.3
268.65997	1.7
290.08057	1.7
291.08844	1.6
292.09744	1.7
306.07761	4.8
318.07626	6.1
320.09146	32.1
321.09888	3.4
334.10788	1.8
336.08557	1.5
336.12231	3.0
337.12625	2.2
344.53458	1.5
350.10052	2.8
364.08020	13.7
399.46570	1.6
468.14465	7.8
503.12256	1.8
596.15796	1.6
597.15588	2.5
609.12421	10.5
615.55640	1.7
623.14233	1.8
625.15802	2.3
641.19177	6.6
651.13965	2.7
667.17291	1.7
685.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82785	0.4
57.92273	0.3
61.14793	0.4
70.83957	0.4
70.88064	0.4
72.54339	0.4
76.54218	0.4
119.25975	0.4
131.24185	0.5
141.06310	0.4
198.97139	0.5
251.44429	0.5
290.04410	0.7
299.97110	0.4
306.07758	0.4
318.04144	0.6
320.09180	1.8
321.09528	0.6
440.07779	0.8
455.10043	1.0
567.12006	0.8
584.12384	2.1
595.11340	2.4
596.12720	1.8
599.14166	3.4
609.12842	2.2
611.11847	0.6
612.11652	5.2
623.11139	0.9
624.11737	4.0
626.12762	0.7
627.14008	34.0
639.14606	0.7
640.11133	0.9
642.16589	3.0
655.13483	55.4
670.15692	12.9
685.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59674	0.4
59.80238	0.4
84.17628	0.4
137.57292	0.5
171.37183	0.5
183.87628	0.4
193.04916	3.3
280.36606	0.5
318.07559	0.9
319.08591	0.7
320.09390	2.4
336.12350	3.1
411.11237	0.6
422.10208	0.6
424.12222	1.1
426.13614	1.0
436.11835	1.7
438.09378	0.9
438.14481	0.7
439.10651	2.0
440.15149	0.7
449.11423	1.9
452.11884	1.9
454.12991	5.9
461.11655	1.1
462.09222	0.7
463.10413	1.1
464.10892	3.4
466.09232	0.9
467.10181	2.6
468.14639	1.8
477.10812	19.4
478.12711	1.9
482.12381	20.8
491.12460	2.8
492.13101	4.1
592.78217	0.6
599.14417	0.9
609.13501	0.8
611.15771	0.6
613.15771	0.9
627.14178	2.0
641.15710	2.2
645.53711	0.5
655.13654	5.7
668.31934	0.6
669.14801	0.9
670.15582	0.8
685.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.0
66.73786	0.6
78.39608	0.7
81.07041	1.0
84.61887	0.6
99.04478	1.8
114.09187	0.8
175.03912	1.8
207.06541	3.4
208.06958	0.9
292.09659	0.9
320.09058	1.4
321.09897	3.5
334.10727	4.2
335.10904	1.1
336.12292	7.9
337.12741	3.7
338.13608	1.5
359.74380	1.0
414.23145	1.0
459.68695	0.8
475.12759	3.1
505.17389	1.0
581.13568	1.0
583.14484	3.2
609.14337	1.0
611.14313	4.5
613.15936	1.8
624.14008	1.0
625.15747	1.5
627.13898	4.9
641.15399	17.0
649.95654	0.8
653.15363	7.8
655.13464	12.2
669.15076	23.4
670.16339	1.3
685.17999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87233	0.6
60.09626	0.5
76.81946	0.5
126.53446	0.6
129.10930	0.6
136.94159	0.7
247.10133	0.8
276.10135	7.1
277.10971	1.1
290.08179	1.3
291.12555	9.1
292.10040	0.8
292.13171	4.4
304.09659	6.0
305.06921	4.9
305.10574	14.6
306.07758	2.6
307.08582	0.8
308.09317	3.6
320.05560	2.8
320.12796	58.9
321.10007	1.3
322.07248	0.9
323.11496	6.2
333.06503	2.5
334.07138	5.1
336.08661	3.0
336.12402	9.1
338.13895	1.1
349.09589	0.9
350.10275	6.8
364.08127	5.7
437.23309	0.7
455.10071	0.9
467.13824	0.9
470.12143	7.4
498.11417	5.2
505.03320	1.0
505.09991	6.3
567.15894	0.9
583.16364	1.0
594.14844	0.9
609.13031	1.2
611.14709	4.3
613.16278	2.6
625.16064	2.9
627.14563	5.9
641.15594	4.8
654.16339	0.8
655.13568	7.5
657.18719	1.1
669.17358	2.9
670.16418	2.7
685.20093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43814	0.9
54.42059	0.8
104.87135	1.0
190.04987	5.4
276.06601	1.7
278.08130	2.4
290.08163	1.4
292.06165	1.3
305.06821	7.1
305.10315	2.6
306.07620	10.0
307.08481	1.6
308.09070	2.7
318.07742	1.9
319.08441	1.6
320.05429	7.1
320.09183	6.4
320.12500	9.7
321.06235	5.0
321.09674	2.3
323.11578	4.9
333.06177	2.0
334.07086	23.6
334.10739	3.9
335.07791	6.3
336.08582	10.8
336.12363	14.8
345.06357	1.4
349.09457	13.3
350.10205	30.2
433.12143	1.8
447.09763	2.5
461.11435	2.1
477.14572	1.5
498.11685	1.6
555.19122	1.2
625.16333	1.7
627.14185	8.9
639.14160	5.5
641.15533	11.1
653.15082	7.0
655.13580	13.6
669.14899	9.8
670.15900	2.1
685.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66901	1.0
53.85330	1.0
92.65723	1.3
93.09434	1.3
113.41286	1.6
114.44689	1.4
190.04962	10.4
215.72664	1.3
276.06348	1.3
278.08127	7.2
279.08966	1.7
280.09515	1.2
290.08221	1.6
291.08868	12.6
306.07675	28.3
307.08395	18.9
308.09238	2.9
318.07535	8.0
319.08353	6.1
320.05548	14.7
320.09225	10.0
321.09946	4.8
322.07050	4.7
322.10736	15.6
323.11493	5.8
324.12076	2.1
334.07184	4.4
334.10754	5.3
335.07886	12.2
336.12494	1.8
338.14020	3.0
347.08005	1.5
348.08401	2.8
350.10229	100.0
362.10135	17.7
625.15558	1.5
641.18628	1.6
652.14075	1.5
655.14679	1.5
685.18848	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64616	0.5
57.13114	0.6
69.17896	0.7
71.45123	0.7
101.58669	0.7
107.76759	0.7
137.77603	0.8
172.23412	0.7
174.05513	1.7
278.08112	0.9
279.92896	0.8
288.03604	0.7
290.08264	1.0
291.09216	0.8
292.09818	0.8
306.07675	2.5
318.07623	5.3
319.08203	2.5
320.05460	1.7
320.09140	28.8
321.09955	5.7
322.10757	1.4
334.10812	1.3
336.08667	2.5
336.12466	6.0
337.12582	10.1
349.05948	0.8
364.08096	12.0
438.10068	0.9
452.11636	2.2
468.14447	8.3
468.94806	0.7
475.13089	1.0
492.76981	0.8
503.12332	1.7
549.72034	0.9
597.14313	1.2
609.12689	10.7
610.15314	1.1
611.14325	1.0
623.14844	1.6
625.15491	2.8
637.12500	4.2
639.14697	0.9
641.19043	5.7
651.14252	2.6
667.16846	2.6
685.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80340	0.2
63.69454	0.2
63.94120	0.2
66.04623	0.2
82.41032	0.2
90.05664	0.2
98.65223	0.2
100.40263	0.2
122.68031	0.3
201.19531	0.3
290.08127	8.4
302.08209	1.6
303.09024	0.3
304.02753	0.4
304.05997	7.8
304.09515	0.3
318.07639	11.3
319.08389	44.7
334.10730	100.0
394.97751	0.3
562.43408	0.3
685.20111	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06329	0.2
67.62588	0.2
82.17169	0.2
83.19283	0.2
124.40406	0.2
231.33595	0.2
288.51440	0.2
290.08130	8.5
302.08231	2.3
303.08774	0.2
304.02734	0.4
304.06030	7.7
318.07599	10.8
319.08392	41.8
334.10739	100.0
536.47229	0.2
685.19971	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90496	0.5
54.17031	0.6
60.53782	0.5
70.83905	0.7
73.97036	0.6
78.32658	0.8
278.08209	2.9
279.09027	0.9
306.07642	0.8
307.12149	0.8
308.09280	4.2
318.07629	1.2
319.08237	1.0
320.09094	2.8
321.09698	0.8
323.11398	2.8
334.07275	1.0
334.10986	2.4
335.11307	1.0
336.08658	3.9
336.12396	0.9
336.24957	5.3
350.10364	1.2
362.10208	5.1
414.52328	0.8
454.16754	4.2
461.11093	2.6
468.14301	1.1
483.16577	1.1
490.11237	2.5
491.16229	1.2
501.38818	0.7
505.13907	20.1
520.16425	3.7
583.15625	1.0
595.15552	1.2
596.15631	1.0
597.16650	1.5
598.17682	2.8
610.18054	1.2
611.16675	3.6
625.19751	6.7
626.16992	8.2
627.17548	4.6
641.19073	32.9
655.17566	5.3
656.21710	9.3
657.22595	1.5
669.18719	2.5
685.21820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29359	0.5
54.23272	0.6
54.66697	0.5
54.73216	0.6
88.58349	0.6
98.31396	0.6
127.55962	0.7
147.02322	0.7
170.94867	0.7
172.56345	0.7
190.05060	0.9
190.79768	0.7
213.86435	0.7
249.83672	0.7
257.50137	0.8
292.09900	1.5
306.07681	1.5
319.08511	1.0
320.09213	2.5
320.12790	0.9
321.09848	2.4
334.10822	5.9
336.12350	1.7
454.16516	2.8
484.18124	1.1
567.15320	1.7
581.15674	0.9
583.15356	1.0
594.14777	0.8
595.14966	2.9
597.16724	1.2
608.15588	0.9
609.16602	3.2
611.15405	4.2
612.15961	1.5
624.15570	1.2
625.16156	5.7
626.16833	8.0
627.17474	8.9
637.16241	1.4
639.15387	1.0
641.19147	28.4
642.08325	0.9
653.18237	2.9
654.19006	1.5
655.17163	7.0
656.21326	3.0
669.18750	11.7
685.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94132	0.5
72.93745	0.6
73.13503	0.6
74.49744	0.6
79.73067	0.7
81.90937	0.6
84.61613	0.6
112.87923	0.6
190.05008	0.9
193.64928	0.7
271.32632	0.6
290.08078	1.0
292.09772	0.9
301.09631	0.7
305.10565	0.8
306.07706	1.0
318.07886	1.2
319.08423	4.1
320.09280	1.2
321.10043	3.0
334.07144	1.2
334.10730	9.6
336.12244	7.4
383.31485	0.7
454.16574	0.8
505.13693	0.9
583.16260	1.0
593.13275	0.9
595.14960	2.6
597.16577	3.5
608.15210	0.7
609.16589	2.8
610.17426	1.0
611.14734	5.0
612.15552	0.8
625.16901	4.8
626.16827	6.0
627.17627	9.3
637.16022	1.4
639.17120	0.9
641.19159	26.6
653.17352	1.5
654.18127	2.9
655.17059	7.0
656.21368	4.1
663.88733	0.7
669.18518	10.1
685.21808	100.0
685.32495	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07452	0.6
69.72211	0.6
86.23566	0.5
86.82214	0.7
92.21436	1.1
93.07069	0.7
100.43310	0.5
110.00948	0.6
123.72539	0.6
130.18596	0.5
190.04916	0.8
220.95392	0.7
276.10352	0.9
279.09009	2.4
279.12408	0.7
292.09760	1.0
294.11215	3.9
299.45880	0.6
306.10941	0.7
308.09174	2.4
318.07806	3.4
319.08530	1.1
320.09161	0.9
320.12891	1.4
321.09888	2.8
321.13528	1.1
322.10568	1.1
323.11551	4.3
336.12296	9.1
336.25247	0.8
347.07928	5.1
362.10220	19.9
362.14709	0.8
387.53516	0.7
454.16818	2.9
461.11368	0.8
468.14429	1.4
470.16238	0.8
476.13782	0.7
483.17209	0.7
490.11633	1.4
491.15906	0.9
505.13995	14.3
518.94385	0.8
520.16443	3.5
595.15637	0.8
597.17212	3.2
598.17365	1.2
609.17126	1.4
610.17096	1.3
611.15710	3.6
613.19879	1.0
625.19141	4.8
626.16669	6.3
627.17450	5.6
639.17181	0.9
641.19055	29.9
654.19794	1.0
655.17365	5.3
656.21631	9.2
657.22241	3.2
669.18817	3.2
670.18744	0.7
685.21814	100.0
685.91473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81294	0.6
69.45675	0.5
75.94397	0.7
107.33367	0.6
107.54200	0.6
116.21864	0.8
207.97594	0.7
216.92783	0.6
248.10732	1.3
276.10156	13.1
276.12750	0.8
277.10886	5.1
279.09134	0.9
288.10342	1.3
290.07996	0.8
291.12460	14.1
292.13205	8.0
304.09680	7.9
305.10446	21.4
307.08496	1.0
307.12018	1.1
308.09152	1.2
308.12531	0.7
320.12787	91.0
321.10098	1.2
322.10776	1.0
323.11469	10.0
336.08536	1.5
336.12259	16.0
337.13269	1.1
338.13895	1.6
353.89038	0.7
364.08118	6.0
368.11188	0.8
429.23563	0.7
438.13464	1.0
467.13565	0.9
482.16431	1.4
627.17328	2.7
639.17358	0.8
641.19366	4.3
655.17157	1.6
669.18817	1.3
670.20099	1.0
685.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36390	0.7
61.29228	0.8
97.68384	0.7
107.42689	0.7
130.39325	0.8
153.65460	0.9
194.12491	0.8
245.13506	0.8
250.09013	0.8
256.70358	0.8
278.08337	3.6
286.74326	0.8
291.09091	0.9
294.11386	1.9
306.07690	3.5
307.08929	1.0
307.12125	4.0
308.09360	4.9
309.09985	0.9
318.07779	4.0
319.08542	3.4
320.05737	1.7
320.09314	6.9
321.09952	3.8
323.11707	3.5
334.07355	1.4
334.10632	6.2
335.11307	3.7
336.12039	6.5
336.25378	1.0
347.07715	2.3
362.10214	12.4
364.08136	12.0
444.87427	0.9
454.16803	3.6
461.11664	4.4
490.11932	3.8
491.16129	1.8
501.73544	0.9
505.13983	20.9
520.16534	3.6
567.15997	1.0
582.18585	1.3
595.15393	1.5
596.16205	1.2
597.17224	3.8
598.17603	3.4
611.16943	3.9
613.19989	1.3
625.17834	4.9
626.16638	9.3
627.18042	4.6
641.19354	29.4
655.17072	5.3
656.21533	8.4
657.23016	1.3
669.18890	3.5
685.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70261	0.5
70.89089	0.5
72.44731	0.5
73.90166	0.5
77.29472	0.5
82.47997	0.5
84.93433	0.5
109.51067	0.7
114.29944	0.6
177.83987	0.6
291.08951	1.3
292.09637	1.0
306.07510	4.1
307.08557	1.0
320.09286	1.3
321.09995	2.2
322.10889	0.9
334.07040	1.0
334.10742	1.2
336.12387	3.1
349.09647	1.2
350.10226	8.4
454.16803	2.5
489.14468	0.7
505.17331	0.8
512.13464	3.5
567.16083	0.8
581.16339	0.9
594.13922	0.8
595.14990	2.3
597.17743	1.0
608.15826	1.3
609.16888	3.1
611.16870	2.9
612.15631	1.3
618.47321	0.8
623.16339	0.7
625.17395	3.3
626.17096	2.5
627.17578	12.6
637.15930	2.4
639.14172	0.9
640.14996	0.8
641.19104	13.5
653.19037	6.2
654.16534	3.6
655.17059	14.0
669.18683	21.3
670.19745	2.2
685.21863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54816	0.6
67.92496	0.8
73.77594	0.7
83.97760	0.8
87.24284	0.8
94.89211	0.8
104.72942	0.9
108.59890	0.7
135.22501	0.8
150.27425	0.8
166.17854	0.8
190.05051	1.0
234.07367	0.9
306.07394	0.9
320.09259	3.3
320.77582	0.8
321.09793	0.9
334.10794	0.9
336.12338	3.3
349.09521	1.4
361.33008	0.9
383.97925	0.9
505.13876	1.0
583.15839	1.4
595.15179	1.0
597.16351	1.7
609.16547	4.7
611.14215	5.7
612.15375	1.5
624.15369	1.1
625.17065	5.3
626.16907	8.3
627.17780	11.8
637.15887	1.7
641.19208	28.8
653.19135	1.5
654.19958	3.4
655.17114	6.3
656.21698	3.4
669.18701	9.8
685.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56908	0.4
76.53152	0.4
114.93213	0.5
156.81544	0.4
163.65584	0.5
210.19258	0.5
222.06709	0.5
292.09778	0.9
293.10486	0.6
320.09085	1.8
321.09952	0.9
334.07169	1.0
336.12311	4.5
342.93582	0.5
349.09567	1.1
374.01553	0.5
406.62619	0.5
454.16568	2.3
489.14197	0.7
490.15057	0.7
525.13525	0.6
565.95178	0.6
577.14929	0.5
579.12964	0.7
581.16785	0.9
595.15320	2.2
597.16382	1.0
608.16095	1.0
609.16699	3.9
611.15778	2.7
612.14569	1.3
625.16064	4.1
626.16864	0.8
627.17651	10.1
637.15778	2.4
638.17316	0.8
639.14130	1.9
640.14819	2.1
641.19080	14.1
646.74683	0.7
653.19073	5.6
654.16669	2.7
655.17120	13.5
669.18628	21.1
670.19177	1.7
685.21759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80524	0.6
53.81047	0.7
60.53206	0.6
69.03434	0.7
69.15398	0.6
74.08701	0.6
77.95029	0.6
85.02933	5.0
87.15096	0.7
109.02843	0.8
109.84489	0.7
117.37962	0.7
131.08592	2.8
141.07022	1.1
157.06490	2.8
158.39162	0.7
159.08034	6.1
174.06747	4.9
175.07559	1.3
189.09099	26.2
191.10606	3.5
201.09099	7.6
203.10712	1.3
219.10165	100.0
237.11263	1.7
334.10620	0.8
350.48602	0.7
477.31110	0.9
516.23047	0.7
618.42316	0.7
685.20880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31730	0.8
50.85170	0.9
52.41213	0.7
53.23761	1.0
55.15791	0.8
55.93903	0.9
60.67120	0.8
67.05518	1.9
69.48962	0.9
76.97124	1.0
81.07066	2.0
83.08642	1.1
90.36054	1.0
93.07034	1.2
95.08617	1.8
109.10185	1.3
114.43249	1.1
124.62978	0.9
133.10223	0.9
140.99455	1.0
156.65192	1.0
287.70676	1.1
317.20966	5.9
320.14523	1.1
335.21872	1.5
391.24310	1.4
587.46161	3.8
685.46381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	11.1
59.06944	0.7
59.56697	0.4
61.23308	0.4
65.90440	0.4
69.03432	0.5
94.65404	0.5
113.58203	0.5
121.92359	0.4
151.07532	1.1
165.05702	0.7
165.09096	7.5
177.09198	0.8
178.08684	0.9
179.10716	2.5
190.08647	0.6
198.72722	0.5
265.08664	2.5
266.08817	4.1
267.09219	2.3
268.09555	0.6
295.12094	2.3
296.12799	3.8
297.11200	2.3
297.13980	0.8
298.11517	3.9
299.11890	2.9
300.12213	0.8
310.14594	2.3
311.15167	4.5
312.12396	2.4
328.15237	0.6
340.15274	0.8
342.16913	5.4
343.17365	10.8
343.78275	0.5
344.17575	7.9
345.17865	3.8
433.15558	0.6
434.16144	2.7
448.17545	12.0
451.00903	0.5
462.15436	2.9
463.16113	7.8
478.18594	23.1
508.16028	23.2
508.23560	0.8
509.16812	33.3
524.19098	48.1
592.08075	0.6
640.23785	1.1
686.24390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78191	0.3
56.23323	0.4
58.06609	0.8
58.71588	0.3
59.08402	0.3
60.20266	0.4
60.49574	0.3
61.19655	0.3
72.73940	0.3
76.04683	0.4
86.91855	0.4
87.80995	0.3
99.04495	0.6
223.79105	0.5
276.10336	0.8
277.11047	0.5
290.08221	0.5
291.12543	5.2
292.10468	0.6
292.13342	4.6
304.09573	0.5
305.10422	4.1
308.09052	0.7
318.07751	1.6
319.08417	4.7
320.09213	4.5
320.12750	47.0
321.09665	0.9
321.13672	0.6
322.10223	0.9
323.11523	5.9
334.10703	8.3
335.11270	1.7
336.12244	4.6
337.13107	0.8
338.13785	1.0
351.10660	0.6
368.34637	0.5
399.15118	0.5
427.14108	1.8
428.14984	2.4
431.13837	1.9
442.16772	4.4
443.07288	0.6
443.17441	10.7
444.14539	0.8
445.15485	1.6
446.16037	19.8
455.13580	0.6
457.15616	0.6
458.16257	9.4
459.12769	0.8
460.13562	1.7
460.18408	1.7
470.15970	14.6
472.18329	0.6
473.14929	3.0
474.15482	22.2
475.16504	2.2
480.71228	0.5
487.16666	0.8
488.17053	25.9
489.17944	1.5
490.18820	2.2
502.18509	7.2
656.21124	1.8
670.22534	0.9
686.26001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68110	0.7
58.03069	0.8
67.24860	0.8
72.25949	0.9
113.58431	0.8
117.34557	0.9
120.02332	0.8
135.58060	1.1
164.68326	1.1
313.74414	1.1
321.09900	1.4
334.10623	1.9
335.18234	28.1
336.12271	5.3
337.09421	1.2
344.05301	50.5
352.11649	2.2
359.07593	53.5
368.10886	1.3
374.09970	100.0
394.28909	1.2
394.59082	1.0
686.18842	1.3
686.32214	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39993	0.2
87.48755	0.2
92.21669	0.2
135.36258	0.2
145.84811	0.2
170.32536	0.3
229.71320	0.3
245.17180	0.2
290.08127	4.3
302.08066	0.8
304.06024	3.2
306.07770	0.2
307.07919	0.3
318.07587	4.2
319.08392	28.5
320.09268	0.4
321.09952	0.3
322.10611	0.3
334.10733	100.0
601.04443	0.3
609.78168	0.3
686.18439	2.4
686.29443	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53905	0.2
53.97960	0.2
54.78410	0.2
60.55874	0.2
80.04976	0.5
82.60484	0.2
97.52268	0.2
99.04372	0.4
124.15739	0.2
157.28009	0.2
172.12909	0.2
203.18924	0.2
290.08099	4.5
302.08066	1.0
304.06015	3.6
317.33948	0.3
318.07581	5.8
319.08398	34.6
320.09027	2.5
334.10733	100.0
335.11191	0.5
336.12219	0.9
337.09357	0.3
386.39587	0.3
584.16711	0.2
686.20850	1.4
686.29858	28.4
702.45734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85030	0.2
56.21784	0.3
58.70826	0.3
94.62426	0.3
108.70418	0.3
111.23114	0.2
142.81749	0.3
250.85741	0.3
290.08066	4.1
302.08179	1.3
304.05954	3.5
307.08405	0.4
318.07632	4.6
319.08389	29.4
320.09018	2.3
334.10733	100.0
336.12286	0.7
351.75891	0.3
527.66211	0.3
561.87427	0.3
686.18298	2.5
686.29633	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53905	0.2
53.97960	0.2
54.78410	0.2
60.55874	0.2
80.04976	0.5
82.60484	0.2
97.52268	0.2
99.04372	0.4
124.15739	0.2
157.28009	0.2
172.12909	0.2
203.18924	0.2
290.08099	4.5
302.08066	1.0
304.06015	3.6
317.33948	0.3
318.07581	5.8
319.08398	34.6
320.09027	2.5
334.10733	100.0
335.11191	0.5
336.12219	0.9
337.09357	0.3
386.39587	0.3
584.16711	0.2
686.20850	1.4
686.29858	28.4
702.45734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06566	0.6
61.21579	0.4
65.15942	0.4
69.71671	0.5
71.00597	0.4
76.16837	0.4
103.02923	0.4
149.45499	0.5
290.08102	4.9
292.09195	0.6
302.07932	0.6
304.05942	3.7
318.07501	6.1
319.08377	35.8
320.09140	5.0
321.09305	2.8
322.09778	3.1
334.10736	100.0
335.11188	0.6
336.12177	2.5
364.08115	2.3
365.08304	2.1
390.73816	0.5
686.19434	5.0
686.29828	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41594	0.6
84.37057	0.6
90.59977	0.6
100.85536	0.5
117.99767	0.5
127.53796	0.6
217.80421	0.6
254.24367	0.7
277.10687	0.6
290.26785	0.7
292.09714	3.2
292.12939	1.1
305.10339	0.9
306.10779	0.7
320.09189	100.0
320.12595	5.1
321.13177	4.6
322.10568	0.7
325.50647	0.7
334.10565	0.9
336.12234	2.3
374.13840	0.9
686.21497	13.8
686.32898	34.2
686.45178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62315	1.3
66.69767	1.7
67.05479	1.2
71.08634	3.6
75.81029	1.5
78.61251	1.3
84.33459	1.4
87.73013	1.8
91.05466	1.5
95.27679	1.4
99.08126	2.8
100.02959	1.4
102.75754	1.5
113.09241	1.4
114.62305	1.5
119.86317	1.6
149.05959	2.9
157.06512	5.7
174.05525	1.8
175.06288	2.3
176.07039	5.5
185.06044	2.3
199.03955	2.8
291.39368	1.6
320.09167	96.8
370.10779	36.6
371.11649	2.9
372.21597	12.4
373.09616	12.2
374.23264	7.2
412.78079	1.8
460.21329	1.9
555.26044	6.7
572.26416	35.2
626.54907	1.7
686.36853	100.0
686.48431	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29375	1.5
55.05521	2.7
57.03428	2.8
57.06823	2.8
57.07085	53.2
61.02932	14.1
67.05502	10.6
69.07063	8.5
71.08636	52.3
72.08367	1.8
73.02914	3.8
75.04515	1.8
81.07066	22.7
83.08630	21.9
85.02904	17.1
85.10186	35.9
91.03922	15.5
95.08603	39.3
97.02881	8.3
97.10165	15.5
99.11732	1.7
109.10161	27.9
111.11737	4.5
123.11700	9.3
126.81007	1.9
127.03903	7.6
130.62369	1.7
136.74577	1.7
137.13213	2.3
145.04994	3.8
147.79333	1.9
163.06004	9.1
184.19122	1.8
253.25311	9.1
271.26450	4.0
294.55219	2.0
319.08490	3.8
327.28922	89.6
334.10782	10.6
345.30005	100.0
489.34058	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.07079	43.5
60.62495	4.2
61.02929	9.3
67.05519	7.2
69.07063	9.8
71.08629	37.5
73.95360	3.9
75.38071	4.2
81.07056	23.9
81.97683	4.1
83.08614	18.9
85.02905	23.8
85.10168	21.6
91.03954	21.0
95.08630	36.2
97.10160	18.0
109.10159	20.4
123.11723	7.5
129.55312	4.0
154.12210	6.7
163.06021	5.2
190.83229	4.6
202.68877	4.7
212.51907	5.3
223.60474	4.3
242.24713	10.0
253.25154	4.5
278.39499	4.4
285.20267	4.4
289.57697	4.4
290.26840	74.2
327.28909	68.9
334.10556	6.8
338.13678	8.8
344.15067	4.3
345.30032	100.0
346.32822	5.2
397.01807	4.9
565.15332	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06065	5.9
67.05502	29.7
69.07069	6.4
73.02934	16.2
79.05510	10.0
80.98730	7.0
81.03413	8.1
81.07070	28.5
93.07045	13.7
95.08597	13.2
99.04443	100.0
107.08619	8.7
109.10166	8.4
113.96626	6.5
114.20798	7.7
147.11778	8.2
243.08665	12.7
295.05841	8.6
336.12323	29.0
337.12573	38.5
371.25851	9.5
487.30460	30.6
505.31470	14.7
675.45038	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66603	2.7
57.58516	2.6
66.59772	2.9
73.30151	2.9
74.24994	2.7
79.26765	3.2
235.17836	3.8
320.09161	6.8
336.11987	3.2
337.12747	6.4
338.13034	4.7
362.67245	3.4
369.49585	3.7
405.27197	69.7
414.04633	3.7
457.37604	43.8
499.42154	6.1
581.06305	3.6
584.27399	3.4
686.55432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89408	0.4
54.30543	0.4
67.38715	0.5
73.78325	0.5
75.83494	0.5
83.97585	0.6
84.73436	0.6
92.95258	0.6
123.57817	0.6
131.14070	0.6
190.05128	2.6
214.99045	2.5
235.06451	0.9
264.06348	0.8
276.06683	1.0
277.07404	0.9
290.08356	0.8
292.06027	4.6
293.06970	2.1
303.05392	2.8
304.06296	0.6
306.07773	1.0
308.05774	0.6
318.07648	7.1
320.05704	5.9
320.09204	2.1
321.06476	2.1
322.10892	0.8
331.04868	1.2
336.08792	1.0
336.12494	2.5
346.07111	4.7
348.05032	1.0
349.05804	8.1
350.06659	1.4
352.07761	0.6
352.15649	2.4
364.08142	100.0
453.22583	0.8
467.21555	0.7
597.12885	0.8
611.14331	2.8
626.13617	1.1
629.15710	3.1
639.14056	2.7
657.14886	18.8
672.17017	4.1
687.19604	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16959	2.0
76.64613	2.1
77.79476	2.1
103.33618	2.5
130.72923	2.7
148.70935	2.3
150.29152	2.4
166.80014	2.6
167.11882	3.1
195.11278	4.9
195.47618	2.2
274.59930	2.6
290.07797	2.6
307.08264	4.0
319.08420	10.8
320.05603	3.1
320.09033	15.3
321.09689	4.7
322.10574	17.3
334.10779	23.3
335.11032	9.4
336.12396	18.8
337.12598	4.6
364.07852	2.9
380.11249	2.6
438.09616	28.8
452.11496	2.8
482.15799	12.5
567.11639	16.7
581.13409	50.2
593.13025	3.8
595.11340	22.5
597.15607	3.4
609.13000	45.4
610.13324	22.3
611.11462	3.8
625.07397	2.6
625.16187	56.0
626.14795	2.9
627.14539	5.4
641.17255	18.0
643.16644	5.7
669.15033	100.0
687.16809	75.0
695.06250	2.7
699.90686	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25353	0.5
66.33385	0.5
66.93584	0.6
92.79364	0.5
101.16640	0.6
107.86845	0.6
144.72681	0.6
179.84624	0.6
190.04993	1.1
204.58908	0.6
223.83002	0.6
239.90694	0.7
243.99734	0.6
291.05145	1.5
295.08466	3.1
303.08820	3.9
305.06891	2.5
306.07565	7.2
310.10690	7.0
317.19696	1.3
318.07513	1.2
319.21078	2.8
320.05438	1.3
320.09076	2.4
321.02841	0.7
332.05356	0.7
334.07071	100.0
335.07855	9.0
336.12256	1.1
337.22037	3.1
348.08640	3.7
349.09418	63.4
350.05939	0.9
350.10168	21.8
651.44940	1.5
687.19061	4.8
687.33667	1.1
687.45276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44522	1.5
61.95470	2.0
64.85107	1.5
70.87953	1.7
87.85804	1.7
92.20903	1.9
120.01965	2.0
135.06149	1.9
277.64905	2.1
291.08673	3.5
292.09494	3.5
295.00284	2.2
306.07663	3.1
307.08258	21.6
308.09009	12.7
318.07623	2.3
319.08160	9.7
320.05460	3.3
320.09180	73.5
321.06436	3.1
321.09549	63.4
322.07281	2.7
322.10767	26.8
323.11359	3.1
334.10754	14.5
336.08563	8.2
336.12119	5.5
336.25360	6.4
349.09375	2.3
350.10208	2.3
351.10416	8.2
352.11072	3.2
380.11307	3.1
389.75052	2.3
423.03275	2.3
439.10120	4.1
454.09192	3.8
468.10858	7.5
469.11942	2.7
500.13208	7.2
611.13721	2.0
671.15759	2.1
687.19281	100.0
687.30170	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18449	0.4
57.16230	0.5
63.76225	0.4
65.07870	0.6
67.23947	0.6
70.29754	0.5
100.25029	0.5
100.88308	0.5
104.40752	0.5
183.23737	0.5
186.37976	0.6
190.05045	2.2
210.45819	0.5
214.98941	0.8
236.41568	0.6
238.63171	0.6
263.05826	1.0
264.06705	0.7
290.08316	2.0
292.06198	3.0
293.06952	2.3
303.05396	2.0
305.07144	0.7
306.07684	0.7
308.05579	1.0
318.07626	6.0
320.05582	5.5
320.09070	1.6
321.06311	1.3
321.09802	1.0
331.04834	1.2
336.08798	0.9
336.12393	1.2
346.06995	3.9
347.07983	0.7
348.05103	2.3
349.05798	8.1
350.06784	0.9
351.72284	0.6
364.08142	100.0
398.44672	0.6
611.14532	1.1
625.11865	0.8
629.15533	3.6
639.13763	3.2
657.15088	15.4
672.16919	3.0
687.19623	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42101	0.5
110.42883	0.5
149.05974	0.8
248.89409	0.7
268.63345	0.6
306.07745	1.4
318.07751	1.2
320.09155	4.5
321.06378	0.8
321.10037	1.1
323.08929	5.6
332.09229	1.4
334.07178	3.9
334.10785	0.9
336.08743	0.9
336.12405	2.7
338.21478	1.0
350.10236	2.2
373.28207	0.7
396.12390	1.0
408.12497	0.8
422.10208	1.4
424.12146	5.5
434.10312	0.8
435.10947	2.2
436.11877	3.3
437.12308	1.9
438.09875	3.6
452.11206	15.4
453.12320	3.5
454.12872	10.4
464.11343	0.7
466.08380	4.7
468.14432	3.8
480.10486	5.9
481.11673	6.6
482.12134	4.7
496.13928	33.0
600.86572	0.7
655.17572	0.7
687.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06624	1.0
59.14745	0.9
65.26199	1.1
67.81122	0.9
80.60235	1.0
102.70470	0.9
104.08185	1.0
120.81425	0.9
122.47665	1.0
130.61006	1.4
192.39954	1.0
307.08505	5.3
319.08383	2.1
320.09122	6.9
321.09708	1.4
322.10696	19.6
334.10709	8.0
335.11273	1.7
336.12378	2.2
424.39722	1.2
434.08661	1.1
546.67896	1.1
555.18323	1.2
569.14642	1.9
583.15881	4.9
585.16553	29.4
598.18268	1.1
599.18085	36.5
611.18298	13.5
613.16028	64.8
627.17596	77.0
628.18237	3.9
643.20703	100.0
687.19617	74.0
687.36469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57840	1.0
52.47262	0.9
56.94192	1.0
60.42143	1.0
63.18954	1.2
64.15361	1.0
70.98509	1.0
79.43020	1.2
81.09018	1.2
87.71304	1.1
98.35348	1.2
108.20735	1.3
113.05550	1.4
170.37846	1.1
190.04996	6.6
247.55496	1.4
277.07352	2.1
278.05240	1.4
278.08075	11.2
290.08231	2.4
293.06787	2.2
294.11182	2.3
295.08447	1.9
305.06845	2.5
306.07620	39.2
307.08557	2.6
309.09924	5.0
310.10818	2.0
311.86755	1.3
318.07883	2.7
319.08655	1.4
320.05527	12.0
320.09232	15.1
321.06152	4.6
321.09818	11.8
322.10651	2.5
323.07971	6.3
334.07089	100.0
334.10425	4.8
335.07724	13.8
336.08618	4.5
336.12405	4.8
338.10312	8.1
349.09427	55.1
349.13690	1.7
350.10239	51.1
350.14209	2.5
352.15378	1.5
438.36423	1.3
452.11273	2.4
454.12747	2.0
480.10995	2.1
496.13736	12.8
512.96893	1.5
533.13220	1.5
627.17224	1.9
642.16589	1.7
655.14148	2.5
687.19641	88.2
687.32758	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72366	0.7
51.24524	0.6
53.86749	0.5
66.03616	0.6
66.72588	0.6
68.89938	0.7
88.62721	0.8
97.19998	0.7
130.16457	0.7
188.22011	0.8
276.06689	1.0
277.07300	10.9
278.04538	7.2
278.07632	1.0
290.08505	1.0
292.06012	7.2
293.06808	20.3
307.08328	11.7
308.09158	9.6
313.48715	0.7
320.05496	1.0
320.12894	0.8
321.06308	32.1
321.13242	1.3
322.13336	1.5
334.10815	1.2
336.08640	24.5
336.12112	2.4
337.12793	1.2
461.11212	4.0
462.11847	1.3
489.10739	5.2
490.11545	3.6
505.13968	10.2
518.11292	2.8
533.13519	21.8
597.13568	1.1
611.14270	1.5
623.14465	1.7
625.12122	1.2
626.14148	1.0
639.13727	1.1
640.14636	0.9
641.15363	4.2
655.16473	1.2
656.17902	2.5
657.15167	1.7
687.19751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07384	1.6
51.36646	1.6
58.04788	1.8
65.15096	1.8
93.24715	2.1
103.34710	1.9
150.86163	2.4
161.05954	2.6
171.02823	2.2
174.05405	2.1
190.04971	2.0
191.07019	2.0
261.21228	2.0
278.08099	4.9
291.08856	8.3
306.07605	27.5
307.08386	13.8
319.08258	2.9
320.05432	11.9
320.09149	28.2
321.09637	4.5
322.07056	7.5
322.10669	15.2
324.08490	2.9
334.10767	3.8
335.07959	2.9
336.12271	7.7
338.10306	2.9
350.06339	3.5
350.10214	24.4
362.10367	2.2
480.11093	6.3
534.83588	2.4
611.15259	9.9
621.12811	2.8
639.13885	17.7
669.18628	23.8
687.19543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82579	0.8
61.41391	0.8
96.03592	1.0
126.20037	0.9
137.05984	2.0
156.11699	1.0
161.00586	1.0
167.07094	1.4
177.05524	1.8
209.75575	1.0
266.65707	1.0
274.35803	1.2
303.31326	1.0
305.06766	2.2
315.12115	1.2
318.07632	3.5
319.08487	5.2
320.09171	36.3
321.09729	2.3
329.11459	1.1
329.61899	1.3
334.07150	1.1
334.10703	9.1
335.11499	9.3
336.12439	4.7
337.12994	3.7
352.08237	1.6
436.11685	1.2
452.11292	1.9
454.12924	1.2
572.18372	1.1
583.14923	1.4
585.17554	1.0
595.14923	3.8
612.14990	1.3
613.15820	4.0
623.14777	1.2
627.17548	6.4
643.20361	3.9
657.15747	1.5
687.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46256	0.3
54.67510	0.3
57.30369	0.3
71.94393	0.3
115.77884	0.4
125.50494	0.4
150.14149	0.4
161.25583	0.4
182.06984	0.5
248.10670	0.6
262.08658	0.5
275.09390	0.8
276.10187	9.4
276.12704	0.5
277.11020	3.0
288.10272	0.9
289.28006	0.5
290.08206	0.5
291.12485	8.1
292.10117	0.9
292.13251	5.5
304.09683	7.2
304.12640	0.5
305.10458	10.3
305.13379	0.5
306.11356	0.7
307.08478	0.9
308.09348	0.9
308.12781	0.6
320.09247	1.9
320.12772	44.8
321.09891	1.3
322.10727	0.8
322.14487	0.6
323.11383	6.3
336.12277	8.3
337.13138	1.0
338.10269	0.5
338.14151	1.7
366.09738	0.6
526.54156	0.5
550.24005	0.5
550.58960	0.5
585.17639	0.4
599.18146	0.5
613.16339	0.5
627.17926	2.8
628.18842	1.0
629.19562	7.5
641.19464	0.9
642.17749	0.7
643.20825	11.4
655.20679	4.4
656.18427	0.7
657.19421	10.6
671.20258	14.4
672.20642	2.6
674.82104	0.5
687.23505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99629	1.5
106.15708	1.7
142.96861	1.7
175.03886	3.8
199.00821	2.0
308.09064	3.4
315.06815	2.2
319.08392	1.9
320.09042	14.6
321.09476	3.0
323.11340	2.8
334.10629	3.7
336.12384	4.4
338.10147	2.8
364.08099	9.2
627.18713	2.9
629.18976	11.5
643.20984	19.4
655.19537	10.3
657.18750	16.1
671.20135	31.1
687.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99629	1.5
106.15708	1.7
142.96861	1.7
175.03886	3.8
199.00821	2.0
308.09064	3.4
315.06815	2.2
319.08392	1.9
320.09042	14.6
321.09476	3.0
323.11340	2.8
334.10629	3.7
336.12384	4.4
338.10147	2.8
364.08099	9.2
627.18713	2.9
629.18976	11.5
643.20984	19.4
655.19537	10.3
657.18750	16.1
671.20135	31.1
687.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93782	0.5
77.71737	0.5
151.63385	0.6
173.44745	0.5
248.10722	0.7
275.09567	0.8
276.10220	8.2
277.11081	2.2
281.92615	0.5
288.10272	1.1
290.08279	0.8
291.12421	6.0
292.10397	0.6
292.13345	4.6
304.09570	6.5
305.10452	11.6
305.13837	0.6
306.11234	1.0
307.12231	1.0
308.09241	1.1
320.09302	3.4
320.12781	43.8
321.09830	2.3
322.10742	1.2
323.11493	7.9
336.12262	8.6
337.12912	0.8
338.14017	3.0
351.10120	0.6
552.46936	0.6
599.18109	0.9
627.17780	3.0
628.18274	1.2
629.19385	7.3
643.20563	12.4
655.20831	4.7
656.18921	0.8
657.18646	11.9
671.20007	15.2
672.21057	2.1
687.23389	100.0
688.54401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.6
90.97696	0.5
93.07039	0.5
142.93742	0.6
174.05536	2.0
205.19305	0.7
248.98401	0.5
266.92651	0.6
319.08609	0.9
320.09052	0.9
320.58899	0.8
321.10034	2.9
334.10770	0.9
336.12314	9.1
337.12836	1.1
438.13715	4.9
452.11322	7.0
466.12997	7.4
467.13712	11.0
468.14578	2.6
482.15933	30.4
484.17764	1.2
579.15710	1.2
593.14423	0.7
596.16113	0.8
597.16449	5.4
598.17493	1.0
607.15479	0.9
609.16003	2.2
611.14435	3.7
623.17999	2.4
625.16125	13.9
626.16931	7.8
627.18243	0.6
639.17688	4.2
640.18488	0.8
641.19067	27.3
641.29156	1.0
643.17261	0.7
655.20990	4.4
687.23358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59755	0.6
57.29768	0.6
77.36143	0.6
92.21494	0.6
132.23828	0.7
134.83867	0.5
262.08670	1.2
276.10135	9.4
277.10886	2.6
279.08752	0.9
290.08118	1.0
291.12573	5.7
292.10150	1.0
292.13330	5.8
294.11276	1.1
304.09650	7.6
305.10373	10.2
306.07611	1.1
306.11008	1.2
308.09042	2.6
312.64203	0.8
319.07892	0.9
320.09238	4.1
320.12753	48.5
321.09668	3.5
322.10736	1.5
322.14395	1.3
322.21967	0.7
323.11456	11.0
334.10718	3.5
336.08606	2.1
336.12305	9.0
337.12491	0.9
338.13776	3.1
428.12714	0.8
478.11398	1.0
479.11612	1.1
484.12982	2.7
495.56265	0.8
584.12024	1.3
598.13361	1.2
611.14954	0.7
612.11951	1.3
613.15912	1.2
626.12201	0.8
627.16241	3.4
628.17188	1.0
629.19354	9.0
641.16101	0.7
642.16339	6.7
643.20758	10.7
655.20673	5.0
657.18903	13.3
671.20190	18.6
672.20251	2.8
687.23901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81607	0.8
52.85471	0.7
63.45612	0.7
69.83005	0.8
73.03851	1.0
77.66846	0.8
87.02365	0.8
168.25781	0.8
190.05074	1.3
276.10168	6.7
277.10831	1.3
290.08206	0.8
291.09085	1.1
291.12506	5.7
292.13196	3.7
304.09692	6.6
305.10358	8.6
306.06918	0.9
307.08292	1.8
308.09146	5.2
309.09592	2.1
310.10269	1.2
318.07654	1.3
319.08167	5.0
320.09128	6.3
320.12766	47.9
321.09695	1.9
322.10648	1.8
323.11496	9.6
334.07025	1.5
334.10660	9.8
335.11053	3.6
336.08737	1.9
336.12424	3.7
338.13535	1.1
364.07947	1.5
424.84518	1.0
521.66058	1.0
540.50220	1.0
611.14709	1.2
614.16284	1.1
625.16309	1.8
629.18939	7.1
641.17950	2.0
642.17694	1.0
643.20673	9.9
655.19580	4.1
656.16095	1.0
657.18732	14.3
671.19995	16.0
672.20636	1.9
687.23297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85405	0.4
54.97410	0.5
55.20136	0.5
63.66938	0.5
76.04121	0.5
77.72178	0.5
78.26118	0.5
80.65855	0.5
126.22706	0.5
130.21251	0.5
143.42287	0.5
153.96620	0.5
166.03009	0.6
200.58899	0.5
275.09525	1.2
276.10153	8.5
277.11148	3.3
279.09219	0.6
284.17673	0.5
290.08435	0.8
291.12524	6.4
292.10095	1.3
292.13489	5.1
304.09634	6.6
305.10431	9.8
306.11383	0.8
307.08685	0.7
307.12054	1.1
308.09433	2.6
308.13104	0.8
320.09360	2.7
320.12814	48.1
321.09912	2.4
322.10806	0.9
323.11539	6.5
334.10864	0.7
336.12219	7.4
338.14130	3.3
366.09811	1.1
459.92062	0.7
613.16656	0.8
627.17804	1.2
628.18811	1.0
629.19080	6.6
631.11072	0.7
637.13953	0.8
641.17352	1.0
643.20746	10.5
655.20850	4.4
657.18958	9.3
671.20251	17.1
672.20728	2.5
687.23511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.6
90.97696	0.5
93.07039	0.5
142.93742	0.6
174.05536	2.0
205.19305	0.7
248.98401	0.5
266.92651	0.6
319.08609	0.9
320.09052	0.9
320.58899	0.8
321.10034	2.9
334.10770	0.9
336.12314	9.1
337.12836	1.1
438.13715	4.9
452.11322	7.0
466.12997	7.4
467.13712	11.0
468.14578	2.6
482.15933	30.4
484.17764	1.2
579.15710	1.2
593.14423	0.7
596.16113	0.8
597.16449	5.4
598.17493	1.0
607.15479	0.9
609.16003	2.2
611.14435	3.7
623.17999	2.4
625.16125	13.9
626.16931	7.8
627.18243	0.6
639.17688	4.2
640.18488	0.8
641.19067	27.3
641.29156	1.0
643.17261	0.7
655.20990	4.4
687.23358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32850	0.4
63.46925	0.4
96.62366	0.4
98.38207	0.4
122.01784	0.4
142.87744	0.5
157.54529	0.4
278.08173	0.5
292.09622	6.0
304.09543	0.8
306.07559	2.1
308.12869	7.7
315.04486	0.5
320.09113	6.6
320.12491	0.9
321.09958	20.5
322.10809	4.3
334.10779	0.8
336.12283	100.0
337.13040	24.8
350.13907	0.9
352.15417	91.3
384.81284	0.5
400.03574	0.5
604.73071	0.5
687.27051	4.2
694.54633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32850	0.4
63.46925	0.4
96.62366	0.4
98.38207	0.4
122.01784	0.4
142.87744	0.5
157.54529	0.4
278.08173	0.5
292.09622	6.0
304.09543	0.8
306.07559	2.1
308.12869	7.7
315.04486	0.5
320.09113	6.6
320.12491	0.9
321.09958	20.5
322.10809	4.3
334.10779	0.8
336.12283	100.0
337.13040	24.8
350.13907	0.9
352.15417	91.3
384.81284	0.5
400.03574	0.5
604.73071	0.5
687.27051	4.2
694.54633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52984	0.5
60.38036	0.5
61.83135	0.5
63.63119	0.6
68.15131	0.5
70.94047	0.5
71.57165	0.5
71.57563	0.6
144.24596	0.6
158.37018	0.6
207.10466	0.5
278.08038	0.9
290.07761	0.8
291.08777	2.4
292.09579	8.9
294.11261	1.5
304.09692	1.2
306.07593	7.3
307.08340	2.8
318.07529	1.1
319.08386	6.1
320.05588	2.3
320.09088	14.2
321.09912	27.5
322.10696	3.5
334.06848	0.9
334.10690	16.2
335.07709	1.2
336.12277	100.0
350.10153	8.0
454.72049	0.6
613.15082	0.9
627.17480	1.1
628.16913	0.9
629.17987	1.4
641.18878	0.6
643.19489	5.1
657.21411	0.7
671.18988	1.1
687.22125	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97897	0.3
96.89378	0.4
113.11166	0.4
118.06524	2.5
132.08084	2.4
137.05983	2.6
144.08109	6.0
146.06020	39.6
159.09198	5.1
170.06027	2.5
188.07076	100.0
205.09732	34.2
206.04474	0.8
218.91313	0.4
302.95447	0.4
333.42966	0.4
455.55676	0.4
461.04501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99046	1.5
67.05509	2.9
76.50693	1.4
81.07079	2.4
93.88898	1.7
95.08620	3.1
95.76233	1.5
113.91082	1.6
215.78635	1.4
288.21750	1.9
351.22070	2.8
589.48334	9.0
687.47949	100.0
694.87286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09312	0.3
61.59298	0.3
94.85081	0.3
100.67909	0.3
126.44151	0.3
132.96497	0.3
165.09117	0.4
177.05305	0.6
200.70341	0.4
262.08627	0.6
264.10062	0.6
290.08093	1.4
292.09647	10.8
307.08298	6.7
307.13678	0.4
308.09146	0.7
318.07639	2.2
319.08389	0.8
320.09161	100.0
334.10715	2.3
335.11047	0.4
499.12366	0.4
514.14905	1.8
556.15887	0.5
600.18707	0.8
614.16602	1.5
628.17981	2.3
642.19324	0.5
644.21155	3.7
658.25714	0.4
688.20190	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86337	0.2
59.55119	0.2
61.47601	0.3
79.84153	0.3
83.95618	0.2
91.62238	0.3
115.58600	0.2
117.32507	0.2
123.87731	0.3
128.52155	0.3
140.81415	0.3
145.02802	1.3
172.58862	0.3
176.41605	0.3
177.05411	3.0
290.08102	7.6
292.09567	1.3
302.07974	3.2
304.06027	8.1
308.09128	3.9
318.07584	10.9
319.08377	49.9
320.09143	25.3
334.10715	100.0
688.20178	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50125	0.2
51.39232	0.2
53.85359	0.3
62.59711	0.4
92.10989	0.3
93.21145	0.4
105.57432	0.3
106.27377	0.3
112.79150	0.3
121.06440	0.7
134.33380	0.3
137.05948	1.3
145.02798	0.3
177.05447	3.6
191.95801	0.3
201.05452	1.3
262.08618	0.5
290.08218	1.9
292.09680	11.2
307.08405	4.8
308.09247	1.5
318.07504	2.4
319.08429	2.5
320.09164	100.0
321.09818	0.5
322.10483	0.4
334.10663	5.7
335.11032	0.7
336.12222	1.6
397.59500	0.3
514.14856	1.7
517.15485	0.4
586.16766	0.3
614.16125	1.3
628.18268	0.6
644.20959	1.8
658.26630	2.5
688.20197	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12313	0.1
66.53104	0.2
69.31129	0.1
69.44344	0.1
88.80212	0.2
91.69581	0.2
98.55374	0.1
112.85758	0.1
175.45795	0.1
290.08148	1.2
292.09622	4.2
304.05948	0.3
306.72296	0.2
308.09201	0.4
318.07693	1.5
319.08359	3.2
320.09158	100.0
334.10693	5.9
452.38376	0.2
688.20190	8.7
690.87549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
73.63400	0.1
217.53725	0.1
232.20024	0.1
264.10236	0.1
290.08066	0.8
292.09665	3.7
304.06079	0.3
318.07602	1.0
319.08362	1.7
320.09158	100.0
334.10727	5.2
382.26807	0.2
412.33130	0.1
514.14716	0.5
688.20276	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
77.17130	0.1
82.81520	0.1
103.14113	0.1
116.30385	0.1
124.04436	0.1
162.55247	0.1
192.08549	0.1
205.04251	0.1
290.08087	0.2
292.09656	4.1
318.07584	0.8
320.09171	100.0
514.14978	0.8
556.16260	0.1
688.20325	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
74.89883	0.1
76.65948	0.1
76.98403	0.1
92.21561	0.1
120.27998	0.1
170.88142	0.1
215.53746	0.1
250.16492	0.1
290.07919	0.5
292.09683	3.1
318.07541	0.7
318.44531	0.1
319.08481	0.6
320.09155	100.0
334.10587	1.3
418.57925	0.1
452.72797	0.1
688.20184	9.9
710.96924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49519	0.1
62.59400	0.1
73.34083	0.1
79.07785	0.1
82.17430	0.1
129.09628	0.1
130.60487	0.1
203.24771	0.1
224.93837	0.1
264.10294	0.1
290.08136	0.6
291.08774	0.1
292.09698	4.0
318.07657	1.0
319.08301	2.0
320.09171	100.0
334.10718	2.5
440.91495	0.1
514.14368	0.1
606.67773	0.1
688.20184	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79858	0.3
81.72613	0.3
93.20782	0.3
98.39742	0.4
116.71288	0.3
124.71942	0.4
154.39272	0.3
160.17953	0.4
189.73511	0.3
211.73698	0.4
264.29126	0.3
290.08090	9.1
292.09665	0.7
302.08078	3.5
304.06009	7.5
318.07568	12.5
319.08383	54.2
320.09164	17.3
321.09747	0.5
334.10715	100.0
336.12244	1.5
337.12781	2.7
352.15393	1.7
353.15839	2.1
514.14716	1.2
613.07623	0.5
688.20172	49.5
693.10754	0.4
699.52057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27736	0.3
56.16115	0.3
62.98746	0.3
66.04893	0.3
69.75714	0.4
75.42294	0.4
85.68484	0.3
120.70470	0.3
127.20360	0.4
290.08151	10.4
291.12424	0.6
292.13315	0.5
302.08173	3.2
304.06076	10.7
304.09451	0.6
305.10092	0.8
306.10883	0.6
308.09122	0.5
318.07593	16.0
319.08383	62.2
320.09113	3.8
320.12808	3.4
321.13086	3.4
323.11349	0.5
334.10718	100.0
336.12201	0.8
566.55695	0.5
630.19220	0.7
644.20734	0.5
658.19067	2.0
672.20502	2.0
688.22021	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67999	0.5
64.05128	0.5
67.37046	0.5
69.88253	0.5
89.77344	0.5
99.88485	0.5
121.93068	0.6
246.50381	0.7
290.08160	10.6
302.08157	3.9
304.06067	11.3
318.07620	17.8
319.08377	69.7
320.09085	6.9
322.10925	0.9
334.10724	100.0
335.11127	4.0
336.11938	3.3
483.16263	2.3
561.91083	0.6
642.19202	1.0
656.20331	0.8
688.21930	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70514	0.5
78.48173	0.4
102.67994	0.5
116.62303	0.5
123.08289	0.4
163.76295	0.4
220.50072	0.4
276.06839	0.5
290.08118	11.2
292.09372	0.7
302.08081	4.1
304.06003	11.2
318.07608	16.9
319.08383	66.3
320.09000	8.7
321.09769	3.3
322.10953	0.6
334.10727	100.0
335.11017	4.3
336.12006	9.2
397.15469	0.5
438.09653	0.6
439.10236	2.2
520.05743	0.6
568.13055	1.7
582.13928	3.6
596.12231	2.0
610.13220	5.8
611.14594	2.7
626.16272	6.1
642.16925	0.9
670.15320	12.3
670.24823	0.7
687.46246	0.6
688.22235	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09500	0.3
58.93296	0.3
84.13609	0.3
90.76833	0.3
102.79141	0.3
110.98806	0.3
125.08476	0.3
247.84097	0.4
290.08112	9.1
302.08163	1.9
304.06049	8.2
318.03900	0.5
318.07559	12.6
319.08389	52.8
320.09259	2.3
334.10724	100.0
644.24994	1.4
688.23944	23.8
689.45032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09500	0.3
58.93296	0.3
84.13609	0.3
90.76833	0.3
102.79141	0.3
110.98806	0.3
125.08476	0.3
247.84097	0.4
290.08112	9.1
302.08163	1.9
304.06049	8.2
318.03900	0.5
318.07559	12.6
319.08389	52.8
320.09259	2.3
334.10724	100.0
644.24994	1.4
688.23944	23.8
689.45032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.6
58.89515	0.4
64.92287	0.5
84.22256	0.5
86.65646	0.5
97.02806	0.5
113.75600	0.5
117.49476	0.4
174.05449	0.7
182.13324	0.5
197.78542	0.4
207.06525	0.7
222.40851	0.5
276.06580	0.5
287.77567	0.5
290.07993	6.8
290.10846	0.4
292.09964	0.5
302.08160	2.1
304.05972	7.2
305.06400	0.5
308.09164	0.6
318.07611	11.7
319.08386	47.4
320.09152	21.7
334.10721	100.0
335.11154	3.6
336.12143	2.3
338.13385	0.5
350.48672	0.6
429.59232	0.5
452.14737	0.8
526.18652	5.2
547.77502	0.4
688.23883	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.6
58.89515	0.4
64.92287	0.5
84.22256	0.5
86.65646	0.5
97.02806	0.5
113.75600	0.5
117.49476	0.4
174.05449	0.7
182.13324	0.5
197.78542	0.4
207.06525	0.7
222.40851	0.5
276.06580	0.5
287.77567	0.5
290.07993	6.8
290.10846	0.4
292.09964	0.5
302.08160	2.1
304.05972	7.2
305.06400	0.5
308.09164	0.6
318.07611	11.7
319.08386	47.4
320.09152	21.7
334.10721	100.0
335.11154	3.6
336.12143	2.3
338.13385	0.5
350.48672	0.6
429.59232	0.5
452.14737	0.8
526.18652	5.2
547.77502	0.4
688.23883	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75644	0.4
56.01902	0.4
83.80379	0.4
96.44668	0.4
153.03865	0.4
192.63258	0.4
287.19968	0.4
290.08060	9.9
302.08112	2.9
304.06046	9.4
318.07596	13.6
319.08389	55.5
320.09216	3.1
334.10730	100.0
336.12085	0.6
578.62457	0.5
644.25201	0.6
688.23853	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73865	0.3
56.02270	0.3
59.76416	0.3
60.54597	0.3
73.52691	0.3
85.02914	0.8
93.06997	0.4
103.05461	2.3
107.04954	0.7
120.08104	100.0
131.04907	3.4
137.06006	1.3
149.06004	2.3
153.05470	0.9
166.08627	47.9
179.47319	0.4
193.37192	0.4
199.05997	0.6
286.78845	0.4
403.10519	0.4
459.23291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48932	0.6
53.67221	0.7
67.05496	1.0
69.07061	3.3
76.02228	4.9
81.07063	4.2
84.04512	5.2
85.02905	1.9
86.00668	1.3
88.02201	1.6
88.66286	0.7
91.05509	2.8
93.07039	1.9
95.04924	0.8
95.08619	6.2
97.02901	1.4
100.03983	1.2
105.07025	4.8
107.08588	4.3
109.06475	1.0
109.18300	0.8
112.32516	0.7
116.01659	3.2
117.07037	5.2
119.08556	8.3
121.10140	12.7
123.11725	6.9
125.06001	0.9
129.06581	1.0
130.04950	6.2
131.08603	10.0
133.10126	8.1
135.08006	1.2
139.07494	0.9
140.01613	1.2
142.03281	1.2
143.02740	6.3
145.06200	3.8
145.10110	7.0
147.11711	9.2
149.05960	3.1
151.07524	1.1
155.08206	3.1
158.02721	5.4
158.04500	1.3
159.07977	1.3
159.11703	1.9
161.13261	1.5
162.02213	4.1
163.05844	0.8
163.07533	7.9
163.14886	1.1
170.02728	1.2
171.02242	1.1
173.13258	27.9
175.14804	8.0
177.03279	1.0
177.09070	1.2
179.05060	1.7
183.11719	2.9
189.03296	25.6
199.07118	1.2
199.75185	0.9
201.12773	20.6
205.10468	1.7
215.04939	1.8
219.13820	13.5
231.04361	1.3
233.05862	0.9
233.09889	3.6
243.04324	4.1
261.05405	1.4
276.14178	3.7
308.09094	1.4
315.98758	0.8
320.09119	27.1
334.10654	1.8
336.12518	1.2
379.16943	3.0
397.17844	11.9
433.17935	4.1
451.19025	5.4
508.21167	5.7
526.22180	100.0
688.17279	5.4
688.27600	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49070	0.9
51.85987	0.9
52.81571	0.9
57.47924	0.8
69.03444	6.1
69.89790	0.9
70.52341	0.9
73.76446	1.0
80.47603	0.9
84.11470	1.0
85.02931	2.0
99.04492	2.5
114.59441	1.0
139.11229	7.2
144.75391	1.2
208.36653	1.1
227.44122	1.1
247.42606	1.3
308.09262	1.9
318.07556	1.9
319.08554	6.5
320.09113	24.9
320.12146	1.3
321.09766	4.7
322.10767	1.7
334.10645	14.3
335.11172	11.5
336.12167	20.9
356.09357	1.4
382.10883	2.0
386.10281	2.2
396.12637	6.3
406.61133	1.2
410.14139	4.5
411.14621	12.8
412.15549	1.6
417.72021	1.1
424.15555	1.4
436.11566	1.8
452.15240	6.8
453.16251	4.2
463.79224	1.3
464.18402	8.9
466.16550	2.5
478.16565	9.3
482.19974	1.7
492.18085	15.3
493.19104	6.6
496.17642	7.3
508.21207	36.8
510.19360	6.7
511.19904	1.8
526.22217	69.1
642.19397	2.2
688.27997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.6
67.05524	0.9
69.03432	100.0
80.53623	0.4
81.07037	1.4
86.06076	4.1
87.04495	0.7
90.02826	0.4
90.50346	0.5
93.07024	0.8
95.08625	0.9
99.04475	1.8
104.07104	0.9
106.25323	0.5
110.04475	0.5
119.08509	0.7
125.09647	0.5
140.78003	0.5
151.01131	0.4
155.07030	18.5
172.09673	0.7
175.18077	0.4
187.04547	0.5
241.10625	5.4
258.13412	0.8
285.22110	0.6
293.21103	1.1
320.09363	0.8
327.14459	3.2
336.12277	2.5
345.15225	0.7
367.15289	0.6
368.14639	1.0
430.21115	0.7
688.30481	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41754	0.2
82.12140	0.3
82.42921	0.3
85.02906	0.4
107.08607	0.5
109.10200	0.4
119.08604	0.4
121.10171	0.6
122.02421	0.5
123.03204	1.1
133.10124	0.5
140.03432	100.0
161.13370	0.3
167.10680	0.4
173.13313	0.4
201.16339	2.4
243.05544	0.3
292.09604	0.4
295.24176	0.7
300.59650	0.3
304.05884	0.4
308.09222	0.4
318.07669	0.6
319.08194	3.3
320.09119	10.1
321.09595	0.5
322.10645	0.7
323.10925	0.5
334.10730	6.4
335.11075	0.7
336.12219	1.6
369.28101	0.6
437.66101	0.3
526.31628	16.3
615.38495	0.4
688.19452	1.6
688.25922	1.3
688.37323	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03424	1.1
60.57831	1.3
67.05490	1.2
71.08630	3.1
75.42252	1.2
80.66930	1.1
81.07043	2.4
82.29333	1.3
99.08110	2.3
114.95264	1.4
157.06476	3.1
165.09129	6.3
191.09476	2.7
192.10258	1.9
199.03897	1.6
203.63347	1.3
255.13802	2.0
313.28299	1.5
320.09204	8.5
321.09857	1.9
336.12283	81.6
358.23834	2.2
362.13965	1.8
369.11188	1.6
374.23309	7.8
376.24841	10.8
385.16882	1.7
386.14056	25.1
389.12698	6.4
402.22870	2.7
476.24551	2.8
556.26886	1.8
557.27679	5.9
574.27893	29.4
622.21558	1.5
688.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	13.1
58.06896	2.2
62.75857	2.5
63.61320	2.4
69.63988	2.8
70.37368	2.8
93.07009	4.2
95.08607	3.6
98.44989	3.1
102.24983	2.8
132.36360	2.8
177.14165	3.2
188.97583	2.7
225.79924	3.2
319.08423	16.4
320.09052	23.9
334.10721	50.3
336.12302	100.0
436.09494	3.6
436.73218	3.1
524.21063	3.6
546.25354	4.1
618.14063	3.9
688.38611	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31533	0.6
65.40349	0.6
65.66637	0.7
74.82286	0.6
81.07068	0.7
86.51117	0.6
93.07049	0.9
95.08633	0.8
97.77311	0.7
99.07885	0.7
115.75590	0.7
121.06483	0.8
163.07574	0.9
278.08099	0.9
292.09634	9.2
304.09525	0.9
306.07755	1.1
320.09183	9.9
321.09967	32.6
336.12299	100.0
336.48352	0.7
337.12784	0.9
380.55032	0.8
504.77722	0.8
509.62161	0.8
688.27448	1.6
688.38324	34.6
688.47906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61750	0.5
52.26421	0.6
71.08641	5.8
71.53505	0.7
95.08635	0.8
99.08089	4.5
109.10072	0.6
149.06027	4.2
175.06300	1.4
176.07112	3.6
187.07613	1.0
201.09233	2.7
215.07098	3.6
236.14854	0.8
236.31645	0.8
274.08499	0.9
286.15833	0.8
292.09830	3.3
301.18134	0.8
303.31940	0.8
320.09174	4.5
321.09888	14.8
336.12274	76.5
342.20642	5.8
356.10553	1.1
358.20102	12.3
360.21628	11.3
362.13959	3.1
368.18524	1.5
374.10526	0.9
386.14001	23.4
386.19223	2.7
387.12714	0.9
389.12613	4.8
444.21609	1.1
460.20944	0.9
476.24435	1.0
556.26990	1.5
557.27954	3.8
558.24902	1.3
559.25970	1.2
560.26581	0.9
574.28052	26.1
670.36865	1.6
688.38409	100.0
688.48511	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05022	0.4
57.07076	1.0
58.06608	1.9
63.67925	0.4
63.68257	0.4
66.79734	0.4
69.07076	0.5
100.33769	0.4
103.51785	0.4
124.26007	0.5
133.19791	0.5
139.15096	0.5
145.04784	0.4
150.66599	0.5
212.23724	81.3
221.72530	0.5
237.35777	0.4
259.80981	0.5
274.27390	100.0
302.61447	0.5
320.09271	4.4
321.09622	1.0
336.12439	0.9
609.47437	0.6
688.22174	3.5
688.34076	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.5
55.05515	6.2
57.03437	13.2
57.07079	20.0
61.02931	1.4
65.03985	1.2
65.49804	1.2
67.05505	43.8
69.07069	32.6
71.04980	6.6
71.08620	12.4
72.86323	1.1
79.05496	14.2
81.07063	55.8
83.04986	9.8
83.08624	13.2
85.06550	21.7
91.05466	7.2
93.07043	28.0
95.08607	60.1
97.05888	1.6
97.06523	44.3
97.10152	2.2
99.08099	11.3
101.05987	1.4
105.07038	2.1
107.08601	23.2
109.10152	30.6
111.08106	5.4
111.11687	4.3
117.05486	41.0
117.07092	1.1
119.08595	7.1
121.10144	20.6
123.11649	11.0
125.09586	2.2
127.11143	1.8
131.08577	6.2
133.10110	12.9
135.11687	59.1
137.05914	1.8
137.09590	2.3
137.13306	2.8
139.11177	2.0
141.09113	16.5
144.99284	1.3
145.10117	6.4
147.11707	2.3
149.09592	2.2
149.13249	12.4
151.11174	2.9
153.12752	25.4
159.11676	5.0
163.11165	7.3
167.14275	2.3
167.36443	1.3
173.13293	1.9
181.12163	3.0
199.13371	1.4
205.19539	2.7
215.17894	2.5
217.14384	7.9
223.20543	6.3
233.18983	8.5
233.96097	1.2
245.03427	1.3
251.17458	2.8
251.20044	63.2
251.22635	2.3
269.21124	16.8
325.23755	3.0
343.24692	2.0
367.24719	21.0
385.25818	25.3
401.26917	1.5
519.40149	4.8
537.41431	9.5
546.82568	1.5
590.47699	6.4
593.43347	4.8
611.45197	23.6
626.19989	1.5
635.44690	7.1
653.46161	100.0
688.48041	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.4
56.41936	2.9
57.03440	12.9
57.07080	7.6
62.17638	2.9
64.93048	3.4
65.45570	2.6
67.05515	40.2
67.85383	3.0
69.07053	23.9
70.24713	2.7
71.08632	3.6
79.05490	7.2
81.07061	41.5
83.05009	4.1
83.08612	7.2
85.06553	16.5
91.05465	6.5
93.07030	30.1
95.08607	48.0
97.06525	26.6
97.10135	3.8
99.08108	5.2
104.35666	3.0
107.08594	20.1
109.10141	34.0
111.08048	4.3
111.11725	3.8
117.05492	60.4
121.10158	19.2
123.11735	13.7
133.10144	8.2
135.11693	43.8
141.09123	4.5
145.10083	4.9
149.13280	6.5
150.52768	3.8
153.12737	20.4
159.11623	4.1
179.14326	3.8
251.20088	42.5
255.63971	3.9
269.21176	6.2
320.09067	3.9
354.97653	3.5
367.24768	16.9
385.25766	30.3
537.41339	5.7
590.47955	6.9
611.44824	7.4
635.45349	5.2
653.46191	100.0
688.48376	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17916	0.5
53.64731	0.4
53.75785	0.4
57.95405	0.5
64.78429	0.6
145.13011	0.6
150.36832	0.6
183.17294	0.5
209.02173	0.7
308.09409	0.5
320.09116	1.9
336.08902	0.8
502.14127	0.7
595.11310	8.7
606.44989	0.6
613.12482	5.1
623.10791	22.9
624.11713	0.7
627.13849	1.1
628.14423	4.1
629.22290	0.7
631.13251	0.8
638.13055	1.2
641.11810	26.7
642.12854	1.2
643.12878	1.1
646.15820	2.1
655.13232	3.6
656.14203	35.4
657.14636	3.8
659.13666	6.6
671.16492	20.5
674.15131	11.5
689.17603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62166	2.5
64.12543	2.6
66.29265	2.7
67.68042	2.1
71.76964	2.3
73.10873	2.3
111.44197	3.1
112.59632	2.9
127.49532	2.4
185.27348	3.0
190.04990	100.0
218.04478	16.5
308.09036	2.9
320.09067	10.2
321.09509	4.2
334.10822	4.3
336.08545	6.1
354.09732	37.2
525.16461	6.4
571.10492	3.2
673.18658	3.4
689.20844	34.2
689.32513	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	4.0
60.63881	0.4
63.56882	0.4
73.43460	0.4
81.86656	0.4
109.45847	0.4
119.56226	0.5
153.58112	0.5
176.23236	0.5
193.04948	0.6
255.48055	0.5
285.07626	2.6
319.08365	0.6
320.09164	2.4
321.09930	1.7
322.10770	0.7
334.10922	1.1
335.11423	0.9
336.12317	5.2
337.12781	2.0
340.08124	17.6
350.10425	0.6
457.12756	0.9
474.74341	0.5
481.13892	0.6
482.12631	0.6
585.16333	1.8
597.13513	0.6
611.18152	2.0
613.16254	4.7
616.15192	0.7
617.18121	0.6
626.13678	0.6
627.17462	0.7
628.19055	3.3
630.16644	3.5
631.16833	7.5
639.17786	0.8
641.15552	9.6
642.15985	0.7
644.15405	0.8
645.18591	12.3
655.17639	3.4
657.18573	12.5
658.15674	3.2
659.16644	15.1
671.20062	9.1
673.18152	17.2
674.18817	7.8
689.21320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91705	0.8
59.20163	0.8
90.40920	0.9
102.39151	1.0
174.05547	1.4
305.06583	1.0
306.07675	1.9
307.08224	1.1
308.09311	1.8
309.09634	0.9
318.07599	1.3
319.08347	5.1
320.09180	8.2
321.09744	5.2
322.10699	1.6
323.11487	3.7
334.07178	1.9
334.10611	7.9
335.11493	1.8
336.12204	2.7
364.08279	1.8
366.09277	1.4
516.16364	1.3
613.15930	5.3
623.14038	2.3
626.13263	1.3
631.17523	4.4
641.15460	16.0
643.18268	1.4
644.13599	1.6
645.18890	1.9
653.19336	4.5
656.17926	1.8
657.18732	2.0
659.16827	22.5
671.20789	1.3
673.18085	4.1
674.18854	1.4
689.21368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	4.3
77.79987	0.9
83.68826	0.9
95.83433	1.0
105.55516	0.9
109.10136	1.3
175.11256	1.0
205.62923	0.8
273.18542	3.7
292.09598	1.6
319.08380	1.6
320.09134	5.0
321.09760	1.6
322.10666	2.3
334.10715	5.2
335.11331	3.8
336.12186	12.9
337.12778	2.1
340.08218	5.7
347.22437	4.7
350.10172	1.6
363.99857	1.0
365.23236	1.2
366.96957	1.2
385.11728	1.1
569.17059	1.0
579.12683	1.3
581.15289	1.0
583.17560	1.2
584.19525	1.3
585.16406	1.5
595.15314	1.3
597.14844	4.7
598.13330	2.0
609.13092	1.2
611.17511	5.3
612.16168	1.5
613.16089	9.0
613.24725	1.1
625.14191	5.3
626.12970	7.1
627.17676	12.5
639.17523	9.7
640.14673	5.1
641.15521	100.0
648.54431	1.2
655.17114	28.0
656.18005	8.1
659.16046	1.6
671.20251	98.7
689.21222	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71214	0.7
81.17219	0.8
91.90215	0.9
98.40620	0.9
101.71003	0.8
125.99452	0.8
135.70859	0.9
141.00995	0.9
170.04008	1.0
190.05023	1.3
248.07164	1.9
249.07802	11.0
263.05750	1.4
272.76035	0.8
276.10196	1.8
277.07248	6.1
290.08124	1.2
292.06000	1.5
293.06879	1.6
294.07516	4.2
304.06177	1.5
304.09497	1.4
305.06927	10.5
306.07620	29.9
307.08374	15.3
308.05496	3.9
308.08936	1.8
318.07651	1.8
319.08340	8.7
320.09155	6.5
320.12808	6.0
321.09500	5.7
322.07108	36.9
322.10681	3.6
323.07867	32.3
323.11325	3.1
334.10742	23.1
336.08536	1.7
336.12265	4.8
337.12698	1.0
338.10214	100.0
338.26697	1.3
352.08008	3.8
352.11865	3.7
394.34018	1.0
516.16479	1.4
641.15167	3.7
645.19324	1.2
655.17169	1.1
659.17267	1.3
671.19220	1.3
673.17975	1.9
689.21063	39.0
689.32660	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86900	1.2
63.92220	1.2
83.12859	1.3
95.46880	1.2
125.22297	1.4
195.57712	1.3
197.88976	1.4
248.06989	2.3
249.07767	12.0
277.07233	11.0
290.08011	1.8
292.06137	1.6
294.07544	2.9
305.06796	10.1
306.07651	33.7
307.04898	2.4
307.08301	18.3
308.05673	2.5
308.09067	1.9
318.07330	1.7
319.08554	11.4
320.08972	7.0
321.09479	3.3
322.07101	40.4
322.10666	7.1
322.31900	1.6
323.07840	33.7
323.11423	2.9
324.11963	1.9
334.07050	5.0
334.10632	33.2
336.12067	5.9
338.10190	100.0
349.09091	1.7
352.08163	13.2
352.11908	2.8
396.05835	1.7
461.59058	1.5
470.12476	1.4
659.18994	2.9
671.19788	3.0
673.20782	2.5
689.21686	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
76.26694	0.4
84.10461	0.5
85.76892	0.5
92.20892	0.5
119.08549	0.6
125.81097	0.5
157.37323	0.5
181.05006	2.1
261.92599	0.7
287.97501	0.5
293.21439	0.5
296.05948	0.6
308.05557	0.8
320.09244	2.2
321.09995	0.8
322.10764	1.0
323.11530	2.0
334.07117	0.8
336.12289	5.0
337.12799	1.0
338.13989	5.4
348.09064	0.8
349.09451	2.0
352.08105	11.7
352.11926	0.6
364.11847	2.8
424.11859	1.0
425.12714	0.6
426.09546	0.8
440.10919	1.9
441.12073	1.9
442.12878	13.6
452.11429	0.6
453.11932	1.1
454.13382	1.1
456.14954	9.9
465.14410	0.7
468.14832	8.4
469.11636	1.1
470.12378	17.7
471.13159	5.7
479.12155	0.7
484.13898	16.0
485.14767	3.2
486.15479	10.6
491.12515	0.9
493.14050	4.4
494.14505	1.0
500.17062	4.6
505.10535	1.1
507.15765	2.2
509.16669	0.9
519.11700	1.2
603.17670	1.0
613.16028	2.0
641.13861	0.6
645.18683	5.3
657.18567	2.1
659.16681	2.2
673.17944	5.9
689.21283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59107	1.0
55.59448	1.0
58.06606	2.5
73.64681	1.0
174.05490	2.8
190.05064	1.6
200.10016	1.3
292.09793	1.4
294.11276	5.3
306.07684	1.9
308.09158	2.9
309.09964	2.4
319.08389	2.7
320.09189	10.2
321.09772	9.2
322.10760	5.4
323.11652	17.7
324.12421	6.0
334.10696	8.9
335.11172	2.2
336.04980	2.0
336.12326	28.2
337.05377	2.9
337.12762	2.9
338.13840	14.1
455.13962	2.4
470.12424	1.5
472.13882	2.1
482.12283	1.4
484.14200	2.0
486.11636	1.6
516.16510	29.1
553.47455	1.6
689.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65214	2.9
71.85522	3.9
75.03277	3.9
81.07068	5.1
87.84203	3.6
91.05422	4.0
105.07011	3.5
109.10184	4.3
153.09114	3.6
203.60492	4.2
400.15411	6.9
409.11502	4.0
428.18307	24.3
429.19339	16.2
442.16333	16.2
455.17029	43.9
456.17783	26.3
483.16800	50.6
484.16953	15.3
499.16144	14.8
511.19705	4.7
519.50403	3.6
527.15643	63.8
528.15900	57.5
539.18817	17.8
543.22107	20.7
550.97217	4.6
571.21960	77.2
602.23407	20.7
615.21136	7.0
629.22351	27.4
630.22803	100.0
657.22058	51.3
661.24976	5.5
689.24438	99.2
689.42224	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09819	0.8
69.31315	0.7
84.05072	0.8
92.17721	0.8
254.08995	0.8
276.10394	5.3
277.11136	1.4
288.10205	8.0
290.11969	1.0
291.09088	1.6
291.12625	5.2
292.10013	1.6
292.13516	4.1
293.10812	1.0
304.09689	2.8
305.10483	9.1
306.08194	0.9
306.11411	3.8
307.08545	1.1
308.09314	1.7
320.09299	3.8
320.12766	44.1
321.09766	1.5
322.14459	1.3
323.11563	7.7
336.08466	1.5
336.12085	7.9
337.12991	1.4
338.14127	1.5
382.13202	0.9
417.91351	0.8
492.65662	0.9
540.51770	1.1
599.18658	1.2
616.18402	1.0
627.18567	1.4
631.21069	4.9
641.19672	1.6
643.20868	6.8
645.22223	4.8
655.20673	1.8
657.22137	4.7
658.20367	1.3
659.20258	8.6
673.21863	8.0
673.32422	0.9
689.25000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42920	0.7
73.85041	0.8
76.34284	0.9
79.85178	0.8
93.70898	0.8
128.28169	0.9
149.11530	0.9
203.78712	0.8
231.13042	0.8
249.07649	1.4
305.06784	1.7
306.07620	5.6
307.08411	4.3
308.09195	1.8
319.08160	1.1
320.09241	6.3
320.12503	1.1
321.09683	5.0
322.07028	7.6
322.10718	4.4
323.07788	4.9
323.11475	14.8
324.12106	2.7
326.10199	10.7
334.10629	4.6
334.14188	1.6
336.08609	1.2
336.12280	8.8
337.12622	1.4
338.10199	18.3
338.13733	2.3
350.13632	1.9
352.08063	2.9
587.18811	1.0
612.18311	1.2
615.17548	1.4
622.83502	0.9
627.16803	2.4
628.18451	6.8
629.18610	3.7
631.20746	6.7
641.19446	1.6
643.20685	28.6
645.21423	4.2
657.21240	4.8
658.20667	1.9
659.20038	11.1
673.21844	11.4
689.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09819	0.8
69.31315	0.7
84.05072	0.8
92.17721	0.8
254.08995	0.8
276.10394	5.3
277.11136	1.4
288.10205	8.0
290.11969	1.0
291.09088	1.6
291.12625	5.2
292.10013	1.6
292.13516	4.1
293.10812	1.0
304.09689	2.8
305.10483	9.1
306.08194	0.9
306.11411	3.8
307.08545	1.1
308.09314	1.7
320.09299	3.8
320.12766	44.1
321.09766	1.5
322.14459	1.3
323.11563	7.7
336.08466	1.5
336.12085	7.9
337.12991	1.4
338.14127	1.5
382.13202	0.9
417.91351	0.8
492.65662	0.9
540.51770	1.1
599.18658	1.2
616.18402	1.0
627.18567	1.4
631.21069	4.9
641.19672	1.6
643.20868	6.8
645.22223	4.8
655.20673	1.8
657.22137	4.7
658.20367	1.3
659.20258	8.6
673.21863	8.0
673.32422	0.9
689.25000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.2
76.05003	1.2
77.36327	1.1
79.05529	1.5
82.87922	1.2
88.59072	1.1
89.44596	1.1
93.07037	1.5
107.08610	1.3
109.05739	1.1
119.08610	1.4
121.06487	1.3
142.96118	1.5
221.16353	1.4
237.28198	1.3
247.51526	1.3
261.58820	1.4
336.12387	4.8
371.07785	1.3
375.51483	1.4
433.20264	1.9
434.21103	2.6
435.21960	2.6
445.55301	1.6
449.19611	3.0
459.21533	1.8
463.21487	2.4
464.22507	1.5
507.24063	20.4
533.25580	2.5
535.23456	16.1
556.21350	2.1
557.22913	2.0
564.86884	1.3
567.26050	18.4
592.26813	1.5
595.25745	9.9
604.96753	1.3
607.97681	1.8
629.24548	14.5
689.26398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.9
54.10015	1.6
55.05531	3.1
57.03447	25.2
58.70692	1.4
59.24522	1.5
61.02940	2.8
67.05500	10.0
67.88891	1.6
69.07085	3.9
70.06618	2.1
71.04964	1.7
74.62325	1.7
79.05487	10.2
81.03424	2.4
81.07059	7.5
83.08646	4.3
85.02892	4.1
85.06546	8.9
91.03970	3.7
91.05473	21.3
93.07044	7.4
95.08608	10.0
97.02911	2.4
97.06539	3.4
99.04498	2.4
105.07030	14.6
106.32639	1.7
107.04917	2.8
107.08621	2.6
109.06521	20.9
109.10154	2.4
117.07003	15.3
119.08590	18.3
121.10097	3.2
123.08041	1.8
125.09647	2.0
129.07034	11.1
131.08588	18.0
133.06541	1.7
133.10143	11.7
135.08049	8.6
141.06981	3.9
143.08583	9.9
145.06532	2.9
145.10141	19.1
147.08005	14.7
155.08488	2.1
157.10153	15.4
159.11673	9.2
161.09633	4.3
171.11722	3.5
173.13222	3.0
175.11203	8.0
183.11685	11.2
189.12746	2.5
189.16406	2.3
199.14815	7.7
201.12741	11.2
217.15872	13.6
255.17494	7.3
273.18503	22.9
285.07574	4.2
290.08267	2.2
304.05930	2.9
318.07593	3.6
319.08301	18.2
320.08847	14.4
321.09848	2.9
334.10730	34.9
335.11063	20.0
336.12360	12.4
347.22174	57.4
365.23221	100.0
689.17358	16.6
689.26404	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01642	5.1
67.05524	6.5
69.03426	46.4
74.85477	5.2
81.07076	5.7
82.97284	5.3
93.07036	12.8
95.08618	7.0
105.07038	23.3
107.08591	8.4
111.08067	8.5
113.74974	5.7
119.08573	9.3
123.08052	35.0
133.10121	9.5
145.10197	9.7
147.11588	11.5
157.10085	6.8
159.11687	22.6
171.11662	6.5
251.17871	13.7
253.15909	12.7
295.20502	95.6
321.09818	9.4
327.23199	100.0
345.24234	29.6
350.80432	6.5
418.36664	6.9
458.95743	6.3
477.22241	6.8
507.23660	10.3
567.25867	25.5
630.15253	6.9
680.10229	6.5
689.25916	26.7
689.36975	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62643	1.4
61.85805	1.7
81.07043	2.3
81.97132	1.8
95.08640	2.2
109.10278	1.8
119.64411	2.0
135.42746	1.9
337.23300	1.8
689.49573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61229	0.3
54.08223	0.3
63.52184	0.4
89.29786	0.4
97.22324	0.5
119.34158	0.4
139.30484	0.4
145.02853	0.9
177.05426	3.7
194.44917	0.4
279.08920	1.9
290.08130	1.7
292.09671	6.5
294.11234	7.2
304.06265	0.4
306.07675	1.7
307.08389	7.5
318.07660	1.4
319.08441	7.7
320.09149	12.3
321.09860	18.2
322.10690	55.5
334.10724	15.6
336.12271	100.0
461.83179	0.5
500.13824	0.6
501.13788	0.8
516.16602	4.3
690.21783	25.6
703.35718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14379	0.3
58.06603	0.4
80.90144	0.3
81.23947	0.3
102.44837	0.4
147.04344	0.4
193.08638	0.5
223.42088	0.4
276.09799	0.4
292.09647	10.3
304.06396	0.5
304.09671	2.0
306.07587	2.0
319.08389	2.1
320.09180	16.2
321.09891	31.8
322.09756	2.7
334.10696	3.8
335.11081	0.6
336.12277	100.0
337.12796	0.4
352.15402	1.7
378.88495	0.3
690.21545	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67537	0.1
65.17332	0.1
83.55181	0.1
96.64643	0.1
129.14801	0.1
159.11429	0.1
198.40103	0.1
254.51318	0.2
279.08823	1.5
294.11298	0.9
307.08356	14.2
322.10721	100.0
396.95865	0.1
437.43201	0.1
605.36542	0.1
690.21783	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	0.1
71.18168	0.1
73.81246	0.1
88.44591	0.2
181.67862	0.2
196.28035	0.2
271.05084	0.2
290.08072	0.2
292.09677	9.5
304.09628	1.6
306.07578	2.7
307.08380	4.1
318.07581	0.6
319.08505	1.8
320.05359	0.3
320.09171	11.3
321.09943	28.1
322.10696	5.2
334.10739	3.3
336.12292	100.0
337.12897	0.2
347.62115	0.2
390.37421	0.2
396.74863	0.2
624.22589	0.2
690.21741	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14379	0.3
58.06603	0.4
80.90144	0.3
81.23947	0.3
102.44837	0.4
147.04344	0.4
193.08638	0.5
223.42088	0.4
276.09799	0.4
292.09647	10.3
304.06396	0.5
304.09671	2.0
306.07587	2.0
319.08389	2.1
320.09180	16.2
321.09891	31.8
322.09756	2.7
334.10696	3.8
335.11081	0.6
336.12277	100.0
337.12796	0.4
352.15402	1.7
378.88495	0.3
690.21545	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51621	0.1
56.57342	0.1
62.42355	0.1
75.77473	0.1
92.21523	0.2
119.85275	0.1
119.86144	0.1
173.78268	0.1
174.89058	0.1
279.08798	1.4
290.08017	0.2
292.09607	0.2
294.11194	0.7
307.08383	13.0
318.07721	0.4
319.08377	1.7
320.09167	0.7
321.09476	0.7
322.10730	100.0
334.10684	3.1
516.15936	0.6
560.67755	0.1
644.20953	0.1
690.21667	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57558	0.1
63.30267	0.1
92.20894	0.1
103.97649	0.2
114.09118	0.2
129.48103	0.2
138.22263	0.1
198.97137	0.1
258.47266	0.1
279.08810	1.2
292.09668	0.2
294.11301	1.5
307.08371	12.2
318.07684	0.2
319.08337	1.4
320.09134	0.6
321.09756	0.6
322.10736	100.0
334.10757	2.1
336.12167	1.8
388.81192	0.2
516.16486	0.2
636.99304	0.2
660.84430	0.1
690.21820	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40562	0.3
90.42976	0.5
100.70933	0.4
102.10592	0.4
129.25670	0.5
139.43736	0.3
139.77707	0.4
141.54541	0.5
142.47662	0.4
144.14738	0.4
233.73715	0.4
239.41327	0.4
276.06250	0.5
279.08655	0.9
290.08069	10.0
302.08115	2.6
304.06067	9.3
306.07721	0.4
307.08350	9.0
318.07593	13.0
319.08386	55.0
319.25128	0.4
320.09140	2.6
321.09375	1.0
322.10706	50.0
334.10721	100.0
421.84521	0.4
457.14896	0.5
469.45065	0.5
516.16309	1.6
565.61237	0.5
690.21777	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74398	0.6
61.86175	0.7
71.98406	0.6
85.45266	0.7
87.15733	0.6
102.12833	0.7
103.67788	0.8
104.03409	0.7
114.44552	0.8
127.34117	0.7
128.02496	0.7
142.79285	0.9
149.03360	0.9
149.72342	0.8
176.07190	1.2
208.54854	0.7
250.08601	1.1
279.09012	4.6
290.08237	0.8
294.11230	43.7
307.08435	3.0
307.12131	2.8
308.09100	0.9
319.08435	3.8
320.09302	4.6
321.09677	4.1
322.10693	11.6
323.11520	1.6
324.12515	1.5
334.10797	8.6
336.12140	3.5
347.65240	0.8
404.57071	0.8
414.13315	0.9
428.14816	6.5
440.15277	1.1
442.12885	0.9
456.14481	7.0
457.15332	9.2
472.17871	27.4
482.12546	0.8
484.15198	0.8
486.11868	3.5
500.13321	6.1
501.14368	9.9
516.16553	34.1
536.68616	0.7
543.14795	0.8
558.17688	4.9
644.21509	4.8
660.17090	0.9
672.20868	1.6
690.21753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65205	0.2
57.23164	0.2
71.78185	0.3
71.83993	0.2
150.43558	0.2
174.18178	0.3
279.08929	1.5
290.08121	1.3
294.11240	1.0
304.06088	0.6
307.08362	12.8
318.07626	1.4
319.08344	7.3
320.09033	2.2
320.12311	0.3
321.09396	1.9
322.10712	100.0
334.10733	11.8
335.11008	1.3
336.11890	3.2
465.40323	0.3
475.15393	0.3
690.21436	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64626	0.3
55.20052	0.2
60.23178	0.3
62.89949	0.2
85.44215	0.3
92.20910	0.4
95.19601	0.3
100.60407	0.3
130.63327	0.3
130.64301	0.4
158.86111	0.3
167.28821	0.4
176.07054	3.2
246.13930	0.3
290.08084	9.2
302.08035	2.4
304.06024	7.5
318.07568	11.8
319.08371	55.4
320.08917	3.2
321.09164	0.7
322.10568	1.4
334.10709	100.0
335.10968	2.5
336.11694	1.8
352.75327	0.4
405.06845	0.3
514.92224	0.3
625.59113	0.4
690.25421	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29955	0.3
52.11125	0.3
58.81205	0.3
63.68803	0.3
70.06605	0.3
121.06516	0.4
134.78506	0.3
157.95396	0.3
278.08090	0.4
292.09653	11.3
304.09583	1.6
304.12833	0.3
306.07550	3.3
318.07596	0.4
319.08325	1.9
320.09140	14.4
321.09940	30.2
327.77100	0.3
334.10669	3.0
335.11069	1.8
336.12277	100.0
337.12616	0.5
551.22119	0.4
651.07977	0.4
659.33270	0.3
690.25085	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
85.96426	0.4
129.80502	0.4
140.81067	0.3
192.67531	0.4
276.06650	0.4
290.08109	8.8
294.11169	1.6
302.08286	2.6
302.11047	0.3
304.06042	7.1
307.08322	0.5
318.07620	9.6
319.08398	51.5
322.10666	9.7
334.10724	100.0
336.12097	0.7
510.19080	0.8
516.16101	0.5
645.24036	0.4
647.51862	0.4
690.25458	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39405	0.3
93.59737	0.4
99.04420	0.8
118.47549	0.4
134.48497	0.5
176.07043	0.6
201.03110	0.4
253.19403	0.4
290.08084	8.8
294.11258	0.5
302.08145	2.0
304.06003	8.4
318.07623	10.6
319.08401	51.2
320.08981	2.5
321.09360	0.9
322.10507	0.5
334.10739	100.0
335.11115	2.4
336.11896	2.4
337.12866	0.8
338.13828	0.5
499.35739	0.5
690.25385	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
85.96426	0.4
129.80502	0.4
140.81067	0.3
192.67531	0.4
276.06650	0.4
290.08109	8.8
294.11169	1.6
302.08286	2.6
302.11047	0.3
304.06042	7.1
307.08322	0.5
318.07620	9.6
319.08398	51.5
322.10666	9.7
334.10724	100.0
336.12097	0.7
510.19080	0.8
516.16101	0.5
645.24036	0.4
647.51862	0.4
690.25458	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
85.96426	0.4
129.80502	0.4
140.81067	0.3
192.67531	0.4
276.06650	0.4
290.08109	8.8
294.11169	1.6
302.08286	2.6
302.11047	0.3
304.06042	7.1
307.08322	0.5
318.07620	9.6
319.08398	51.5
322.10666	9.7
334.10724	100.0
336.12097	0.7
510.19080	0.8
516.16101	0.5
645.24036	0.4
647.51862	0.4
690.25458	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06171	0.3
54.17566	0.3
55.01616	0.4
60.39723	0.3
61.72793	0.3
68.05265	0.3
70.25443	0.3
73.28789	0.3
75.06474	0.3
81.52764	0.3
88.70670	0.3
92.21007	0.4
123.70852	0.3
182.52473	0.4
216.71483	0.4
278.08084	0.5
292.09662	10.9
298.69440	0.4
304.09738	1.7
306.07596	3.9
319.07675	0.5
320.09161	11.4
321.09943	31.4
322.10602	0.5
334.10583	0.4
336.12286	100.0
337.12695	0.4
655.91998	0.5
690.25555	4.9
696.42523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44123	0.1
63.43279	0.1
92.20955	0.1
92.67999	0.1
107.59555	0.1
109.28563	0.1
120.02806	0.1
131.08575	0.1
135.82198	0.1
148.90625	0.1
176.07004	0.1
212.63792	0.1
275.09268	0.2
278.07947	0.4
291.08994	0.2
292.09653	9.4
304.09634	1.5
305.10361	0.1
306.07556	3.0
306.10812	0.2
307.08255	0.2
318.07715	0.2
319.08252	0.2
320.09171	10.8
321.09949	27.7
322.10553	0.2
333.91370	0.1
334.10672	0.5
335.10965	0.2
336.12286	100.0
365.23590	0.1
366.23615	0.2
542.25433	0.1
586.24194	0.8
646.26233	0.2
690.25317	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39405	0.3
93.59737	0.4
99.04420	0.8
118.47549	0.4
134.48497	0.5
176.07043	0.6
201.03110	0.4
253.19403	0.4
290.08084	8.8
294.11258	0.5
302.08145	2.0
304.06003	8.4
318.07623	10.6
319.08401	51.2
320.08981	2.5
321.09360	0.9
322.10507	0.5
334.10739	100.0
335.11115	2.4
336.11896	2.4
337.12866	0.8
338.13828	0.5
499.35739	0.5
690.25385	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.35777	0.6
55.01882	7.3
60.04528	1.0
69.03423	6.1
70.06605	3.8
71.04996	1.7
81.03425	9.1
83.04989	1.4
84.04501	1.7
85.02911	9.6
86.06073	15.9
87.04472	16.7
91.05476	0.8
96.04528	2.9
97.02890	14.7
97.36932	0.7
98.06060	31.0
99.04469	23.2
99.05097	1.2
104.07098	8.0
106.06555	1.6
109.02888	9.5
110.06058	1.4
111.04438	0.8
113.06013	1.7
116.07086	6.8
117.87876	0.7
119.04083	0.7
119.04945	1.1
121.49426	0.8
121.58959	0.7
121.85964	0.7
124.07610	4.5
125.04753	3.6
125.56100	0.7
126.04684	0.7
126.05505	5.7
127.03887	6.8
128.07089	8.1
129.07184	0.7
134.05997	5.7
138.09164	1.4
140.07091	3.8
141.05499	1.7
142.08621	1.2
144.06570	1.5
145.04974	1.0
145.06500	0.9
146.08160	1.8
147.04411	40.6
148.07596	5.0
152.07085	3.0
155.16960	1.0
162.07640	0.9
164.07088	4.0
166.08626	7.1
170.08101	1.7
174.07748	0.7
176.07083	24.2
177.05566	2.8
182.08115	13.4
183.84990	0.6
191.06992	5.0
194.08136	35.7
194.09833	1.5
203.95074	0.8
212.09198	16.8
217.08670	1.1
230.10233	19.5
243.08688	1.3
245.08266	1.0
248.11319	21.1
257.33350	0.7
328.13922	1.7
346.14972	0.8
482.76794	0.8
492.18744	1.1
546.35590	0.9
636.22760	2.8
650.30566	0.9
654.23901	16.9
672.25043	27.4
690.26056	100.0
710.85059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75661	0.4
70.06510	0.4
81.94828	0.4
99.04308	1.8
103.40511	0.4
114.66399	0.5
150.67123	0.5
203.91666	0.4
292.09601	2.9
320.09177	100.0
321.09842	0.7
334.10715	0.9
336.08667	0.6
336.12360	2.5
366.09784	1.9
660.17206	0.8
690.29840	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46181	0.3
62.54327	0.3
69.45061	0.3
78.41803	0.4
79.17400	0.4
99.04473	0.4
105.07024	0.3
107.08614	0.4
113.03999	0.3
120.94611	0.4
163.11140	0.7
169.08482	0.7
212.61961	0.4
292.09637	7.6
304.09818	0.7
306.07507	2.2
318.07523	0.4
319.08344	0.5
320.09146	6.5
321.09930	23.3
322.10107	0.4
334.10703	2.0
336.12271	100.0
392.68616	0.4
690.19769	1.8
690.33002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13506	0.2
71.49054	0.3
75.96581	0.2
99.04436	0.5
292.09698	6.0
304.09647	0.6
306.07751	1.9
319.08151	0.4
320.09079	6.5
321.09933	21.4
334.10712	1.5
335.11163	0.4
336.12271	100.0
337.12723	1.0
658.22766	1.0
690.22449	1.7
690.33832	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13506	0.2
71.49054	0.3
75.96581	0.2
99.04436	0.5
292.09698	6.0
304.09647	0.6
306.07751	1.9
319.08151	0.4
320.09079	6.5
321.09933	21.4
334.10712	1.5
335.11163	0.4
336.12271	100.0
337.12723	1.0
658.22766	1.0
690.22449	1.7
690.33832	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03407	0.8
75.02763	0.8
80.35345	1.0
139.35300	0.9
142.35567	0.9
173.69008	1.0
196.06807	0.9
198.70036	1.0
292.09695	8.6
306.07571	3.9
320.09180	11.6
321.09949	31.7
336.12292	100.0
500.00577	1.0
605.57251	1.6
627.87817	1.1
690.40027	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05514	1.5
57.07079	2.2
67.05504	5.0
69.07071	2.4
79.05495	2.0
81.03419	5.1
81.07068	6.3
83.08614	1.8
84.31329	0.9
85.02905	1.5
85.10182	26.1
91.05466	4.1
93.07003	2.9
95.04967	2.1
95.08611	6.5
97.02894	1.5
97.10168	1.8
98.84048	1.0
99.04461	38.1
105.07040	2.0
107.04967	3.6
107.08577	4.5
109.06529	1.3
109.10181	1.7
113.09635	23.1
119.08560	1.5
121.10193	2.3
123.08044	1.5
123.11671	1.0
127.03929	2.2
133.10194	1.8
135.11690	1.5
147.11684	4.5
149.09627	3.9
149.13274	1.2
151.11143	3.4
154.85750	1.1
157.10246	1.0
161.13263	1.9
163.11151	4.4
165.12750	21.9
171.11644	1.1
175.11200	1.7
175.14853	1.4
179.14288	1.3
200.45758	0.9
231.21094	1.4
241.19519	1.6
259.20563	1.7
261.09625	1.4
277.21634	25.4
295.22675	100.0
313.23685	10.6
320.09033	7.8
321.09512	1.8
322.10687	2.2
378.32013	1.5
437.21872	1.1
465.82266	1.1
538.42572	1.3
690.34406	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05514	1.5
57.07079	2.2
67.05504	5.0
69.07071	2.4
79.05495	2.0
81.03419	5.1
81.07068	6.3
83.08614	1.8
84.31329	0.9
85.02905	1.5
85.10182	26.1
91.05466	4.1
93.07003	2.9
95.04967	2.1
95.08611	6.5
97.02894	1.5
97.10168	1.8
98.84048	1.0
99.04461	38.1
105.07040	2.0
107.04967	3.6
107.08577	4.5
109.06529	1.3
109.10181	1.7
113.09635	23.1
119.08560	1.5
121.10193	2.3
123.08044	1.5
123.11671	1.0
127.03929	2.2
133.10194	1.8
135.11690	1.5
147.11684	4.5
149.09627	3.9
149.13274	1.2
151.11143	3.4
154.85750	1.1
157.10246	1.0
161.13263	1.9
163.11151	4.4
165.12750	21.9
171.11644	1.1
175.11200	1.7
175.14853	1.4
179.14288	1.3
200.45758	0.9
231.21094	1.4
241.19519	1.6
259.20563	1.7
261.09625	1.4
277.21634	25.4
295.22675	100.0
313.23685	10.6
320.09033	7.8
321.09512	1.8
322.10687	2.2
378.32013	1.5
437.21872	1.1
465.82266	1.1
538.42572	1.3
690.34406	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.5
57.03431	9.7
57.06824	2.7
57.07084	51.0
66.44521	1.8
67.05507	24.3
67.66895	2.2
69.03441	2.1
69.07058	15.8
71.08342	2.1
71.08640	36.2
71.55829	2.0
81.07062	30.9
83.08626	20.1
85.10181	23.8
90.32596	2.0
93.07021	4.4
93.58673	2.1
95.08607	44.5
97.06554	3.0
97.10155	13.1
98.98464	42.4
103.07576	2.3
107.08605	8.1
109.10152	24.9
111.11767	1.9
114.09175	2.5
119.08568	3.4
121.10130	3.3
123.11706	10.2
135.11716	2.5
146.12144	2.3
155.01045	71.4
173.02036	3.4
239.23726	4.8
245.22676	3.8
263.23691	4.8
276.55402	2.0
280.26328	28.6
313.27338	100.0
320.09161	30.6
321.09930	3.2
322.10657	4.4
323.11429	4.3
334.10818	2.4
336.12119	4.0
337.12595	2.6
338.13870	20.2
393.19064	3.0
393.24005	78.6
453.80667	2.6
690.37756	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78312	0.8
70.54122	1.0
70.71804	1.0
73.28968	0.9
74.33112	1.1
76.05070	0.9
80.05659	0.9
127.44435	1.1
130.65204	1.0
215.61278	1.1
255.09714	1.0
267.89322	1.1
284.35022	1.1
290.08163	1.2
304.06067	1.3
318.07553	2.2
319.08252	12.3
320.08783	6.9
321.09756	1.2
322.07104	1.4
322.10605	1.7
334.07123	1.7
334.10690	18.3
335.10980	4.4
336.11929	1.2
338.09961	2.1
585.61560	1.1
628.11462	3.4
640.11023	8.2
641.11963	15.3
658.12177	100.0
673.14490	36.8
691.15021	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37764	1.6
53.44660	1.4
72.88152	2.0
73.46008	1.8
76.77589	2.0
144.04396	3.5
147.04404	3.2
166.21495	1.8
174.05502	82.1
176.07065	4.6
186.55867	2.0
192.06503	2.8
193.59512	1.9
308.08783	2.4
310.06894	3.3
312.08765	4.4
318.07623	4.6
319.08258	13.3
320.08917	8.2
322.07074	6.6
322.10626	3.1
323.11435	3.6
324.12335	12.5
334.10757	20.4
336.12231	2.8
340.08124	100.0
352.11740	33.7
505.46887	2.0
611.30438	4.3
647.21100	4.3
661.19135	16.2
673.21741	2.5
691.23566	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26860	2.8
51.82156	3.1
70.62062	3.8
77.03334	3.8
78.33959	3.0
79.81915	3.5
82.43645	3.3
103.05502	4.2
105.06970	3.9
107.04977	25.1
126.22874	3.8
131.04909	18.2
133.06496	5.5
137.06001	5.1
142.50728	3.5
152.04723	4.2
161.05907	6.0
163.07588	8.3
167.07027	99.2
175.07547	4.4
191.07007	56.7
199.07555	37.0
201.09033	5.9
203.08479	4.6
215.08588	6.3
233.09619	15.6
235.11229	4.5
243.08020	5.4
249.09143	3.9
257.05667	4.7
261.09048	23.3
262.09985	4.0
263.10657	6.7
267.10129	4.2
277.08569	5.0
278.09488	5.5
289.08603	38.4
290.08383	6.6
291.10220	15.8
292.10400	5.4
293.11682	8.0
295.09644	15.9
295.13159	5.1
299.09097	3.7
304.05936	8.8
306.08817	7.4
307.09088	4.3
308.10510	4.9
309.11105	4.3
318.07590	14.7
319.08340	55.0
320.09070	29.2
321.11435	43.7
322.10764	17.6
323.12366	22.4
327.12076	14.0
334.10739	100.0
335.11096	22.4
338.13870	5.1
353.13751	90.3
355.15298	30.4
373.16431	20.4
413.15753	5.2
533.20319	39.6
563.84009	3.6
691.22583	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26860	2.8
51.82156	3.1
70.62062	3.8
77.03334	3.8
78.33959	3.0
79.81915	3.5
82.43645	3.3
103.05502	4.2
105.06970	3.9
107.04977	25.1
126.22874	3.8
131.04909	18.2
133.06496	5.5
137.06001	5.1
142.50728	3.5
152.04723	4.2
161.05907	6.0
163.07588	8.3
167.07027	99.2
175.07547	4.4
191.07007	56.7
199.07555	37.0
201.09033	5.9
203.08479	4.6
215.08588	6.3
233.09619	15.6
235.11229	4.5
243.08020	5.4
249.09143	3.9
257.05667	4.7
261.09048	23.3
262.09985	4.0
263.10657	6.7
267.10129	4.2
277.08569	5.0
278.09488	5.5
289.08603	38.4
290.08383	6.6
291.10220	15.8
292.10400	5.4
293.11682	8.0
295.09644	15.9
295.13159	5.1
299.09097	3.7
304.05936	8.8
306.08817	7.4
307.09088	4.3
308.10510	4.9
309.11105	4.3
318.07590	14.7
319.08340	55.0
320.09070	29.2
321.11435	43.7
322.10764	17.6
323.12366	22.4
327.12076	14.0
334.10739	100.0
335.11096	22.4
338.13870	5.1
353.13751	90.3
355.15298	30.4
373.16431	20.4
413.15753	5.2
533.20319	39.6
563.84009	3.6
691.22583	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26860	2.8
51.82156	3.1
70.62062	3.8
77.03334	3.8
78.33959	3.0
79.81915	3.5
82.43645	3.3
103.05502	4.2
105.06970	3.9
107.04977	25.1
126.22874	3.8
131.04909	18.2
133.06496	5.5
137.06001	5.1
142.50728	3.5
152.04723	4.2
161.05907	6.0
163.07588	8.3
167.07027	99.2
175.07547	4.4
191.07007	56.7
199.07555	37.0
201.09033	5.9
203.08479	4.6
215.08588	6.3
233.09619	15.6
235.11229	4.5
243.08020	5.4
249.09143	3.9
257.05667	4.7
261.09048	23.3
262.09985	4.0
263.10657	6.7
267.10129	4.2
277.08569	5.0
278.09488	5.5
289.08603	38.4
290.08383	6.6
291.10220	15.8
292.10400	5.4
293.11682	8.0
295.09644	15.9
295.13159	5.1
299.09097	3.7
304.05936	8.8
306.08817	7.4
307.09088	4.3
308.10510	4.9
309.11105	4.3
318.07590	14.7
319.08340	55.0
320.09070	29.2
321.11435	43.7
322.10764	17.6
323.12366	22.4
327.12076	14.0
334.10739	100.0
335.11096	22.4
338.13870	5.1
353.13751	90.3
355.15298	30.4
373.16431	20.4
413.15753	5.2
533.20319	39.6
563.84009	3.6
691.22583	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.0
58.06537	1.2
61.76729	0.9
67.05518	1.8
69.07072	1.4
79.05518	3.9
81.07070	8.2
83.08575	1.2
85.02890	1.3
91.05459	5.3
93.07030	5.0
95.04955	1.5
95.08616	5.7
97.06534	32.7
99.04426	1.6
105.07024	5.5
107.04969	1.7
107.08614	5.8
109.06513	2.1
109.10146	5.0
119.08560	4.6
121.06503	1.8
121.10126	5.4
131.07318	2.1
131.08572	1.2
132.08087	22.6
133.10110	2.3
135.11687	1.7
137.09642	1.8
147.11716	2.1
149.05965	7.7
149.09590	2.1
150.06752	7.5
151.11307	1.4
159.11664	1.8
160.07555	17.3
161.08366	4.6
162.09122	5.0
162.44299	1.0
163.06332	1.6
163.07527	2.4
164.08299	4.5
165.09061	8.8
179.14230	1.5
190.08688	1.5
204.10182	5.6
247.20648	2.0
275.20004	9.1
285.07559	2.7
320.08939	1.6
322.10602	2.1
324.16006	5.6
336.08572	5.4
336.12320	7.2
341.71161	1.2
349.23694	31.7
351.11093	2.1
352.08160	4.6
366.09756	2.7
367.09952	1.7
367.24832	12.7
428.18231	2.1
479.12219	1.6
494.14941	1.5
497.13269	7.2
511.14862	2.7
512.15894	11.6
517.82800	1.2
527.18024	42.5
529.29443	2.2
661.24170	2.5
691.26099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67802	2.5
60.03348	2.4
65.37283	2.3
72.67902	2.6
73.82021	2.6
76.24768	2.8
80.63858	2.5
112.97125	2.6
180.55710	2.9
183.50000	3.1
433.23679	3.6
460.22467	18.1
461.23318	14.0
487.24857	4.1
533.25732	25.4
593.27728	4.9
631.29199	42.7
650.63672	3.3
691.31152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56086	0.8
52.18280	0.9
61.10751	1.0
68.24158	1.0
92.03465	1.0
94.19801	1.1
96.02432	1.1
107.42580	1.0
115.95436	1.1
142.44458	0.9
161.18393	1.0
166.79587	1.0
190.83722	1.0
192.18939	1.0
222.17178	1.0
354.10413	1.2
433.24036	4.6
446.20935	1.2
447.21982	1.4
459.21844	5.5
460.22452	12.1
461.23373	15.4
473.23212	4.3
474.24301	1.3
487.24982	2.4
505.22351	1.9
533.25531	19.7
593.27771	10.8
631.29187	42.3
658.63995	1.3
659.28625	1.2
674.83484	1.5
691.31244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87265	0.9
55.05519	1.6
57.03437	9.5
59.66462	1.0
60.87312	1.1
66.05527	1.1
67.05499	7.2
69.03423	0.9
69.07073	1.2
71.04992	1.6
78.09759	1.0
79.05505	7.6
81.07054	10.2
83.04982	1.8
83.08607	1.6
85.02905	1.5
85.06526	1.5
91.03966	1.9
91.05474	10.5
93.07047	12.6
95.08621	7.9
99.04465	5.2
105.07011	11.0
107.04935	2.0
107.08598	6.7
109.06511	5.0
109.10183	1.7
117.07024	5.5
119.08573	12.1
121.06516	2.5
121.10119	4.9
129.07036	2.2
131.08557	10.9
133.10153	9.2
135.11681	5.1
136.34355	1.4
137.09567	1.3
139.33160	1.1
145.10129	8.5
147.11679	4.7
149.09575	1.9
157.10190	1.4
159.11682	4.7
161.13315	1.8
185.13208	1.5
191.17796	1.0
201.16411	2.2
203.14291	2.4
219.17424	100.0
275.20111	10.5
285.07581	2.5
286.08051	1.4
287.08044	2.0
291.14371	1.2
306.31870	1.4
320.08887	1.5
321.09750	1.8
322.10455	1.2
325.94897	1.3
334.11234	1.2
336.12216	6.4
337.12625	2.0
349.23694	86.4
367.24707	12.4
511.28897	2.4
535.69769	1.2
691.32843	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88088	3.7
55.05520	10.2
67.05502	9.3
71.32464	5.3
78.67606	5.0
79.05504	20.0
81.07063	9.6
83.04998	7.7
93.07035	23.3
97.10178	6.1
105.07033	7.3
107.04974	5.1
107.08600	25.5
109.10141	10.0
119.08591	6.2
121.10136	9.0
121.17081	5.1
125.09616	8.6
133.10104	10.3
147.11740	6.1
149.09631	34.1
158.89720	5.0
186.43694	4.5
266.50287	6.1
273.13147	5.8
275.20032	24.1
336.12201	11.1
337.12576	6.9
349.23639	100.0
367.24634	19.9
468.24426	5.6
691.32355	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	1.9
73.50690	1.0
88.07623	4.2
93.19072	1.1
106.08679	4.4
107.70737	1.1
125.68944	1.1
243.32283	1.4
256.26294	4.2
274.27386	100.0
276.52277	1.3
301.07101	1.3
320.09045	1.2
329.06860	6.3
357.06140	2.4
359.56180	1.2
400.08145	84.2
404.33124	1.3
418.09195	85.5
627.51978	1.2
629.15381	1.6
691.18982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3871
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
76.89109	1.5
81.07064	2.9
82.12307	1.7
86.18452	1.3
87.65031	1.6
93.07047	2.4
95.08614	2.0
109.10167	1.7
123.04449	1.6
214.88736	1.4
271.21680	1.6
336.12555	1.8
529.33331	32.6
691.38690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25365	0.5
58.06614	1.0
58.49263	0.5
59.70831	0.5
60.17411	0.5
64.62564	0.6
67.18210	0.5
70.69595	0.6
92.20977	0.6
92.34592	0.6
117.51799	0.7
134.15370	0.6
157.93619	0.7
167.07048	1.2
170.82394	0.7
174.05438	0.8
187.06378	0.7
193.86862	0.6
209.29291	0.7
258.21805	0.8
318.07669	13.8
350.10190	0.9
409.09525	0.8
412.11884	3.4
424.11575	2.2
426.09677	1.2
440.11307	19.3
441.12189	15.0
454.13965	5.1
469.11511	0.9
470.12415	1.2
484.13989	23.0
484.21094	0.8
486.11984	6.1
498.11969	3.5
500.09708	26.6
514.11487	5.6
515.12146	14.4
530.14459	48.1
692.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40386	0.9
53.03935	1.1
57.03426	0.9
60.29279	1.1
69.03413	1.2
81.03407	2.5
85.02881	6.7
92.20972	1.2
109.02845	1.5
290.08035	2.1
304.05606	1.3
318.07413	1.9
319.08392	16.2
320.09128	11.5
322.10483	1.6
334.10733	27.9
335.11462	9.3
336.12399	9.1
350.13788	10.6
354.07251	1.2
364.15259	1.4
366.07446	1.8
370.06894	4.2
371.07788	4.1
372.08371	2.4
382.06909	1.8
384.08667	11.0
400.07892	6.2
402.09753	58.0
410.06601	99.3
428.07678	59.4
472.58765	1.0
530.21613	1.7
590.12396	2.2
692.19122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51240	0.4
99.00801	0.5
107.04823	0.6
107.98097	0.5
130.82887	0.6
144.97147	0.6
147.04404	1.1
175.03896	6.1
207.06526	6.7
262.95602	0.5
266.08096	1.1
267.99982	0.6
268.09698	0.9
278.08411	0.6
294.07675	2.1
296.09155	42.5
304.05823	0.8
318.07611	1.1
319.08374	6.4
320.09216	8.6
322.07092	3.2
322.10834	1.2
324.08640	100.0
334.10770	14.9
335.11215	2.1
336.12408	4.1
350.10138	0.7
495.92737	0.5
591.48816	0.6
692.19531	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25365	0.5
58.06614	1.0
58.49263	0.5
59.70831	0.5
60.17411	0.5
64.62564	0.6
67.18210	0.5
70.69595	0.6
92.20977	0.6
92.34592	0.6
117.51799	0.7
134.15370	0.6
157.93619	0.7
167.07048	1.2
170.82394	0.7
174.05438	0.8
187.06378	0.7
193.86862	0.6
209.29291	0.7
258.21805	0.8
318.07669	13.8
350.10190	0.9
409.09525	0.8
412.11884	3.4
424.11575	2.2
426.09677	1.2
440.11307	19.3
441.12189	15.0
454.13965	5.1
469.11511	0.9
470.12415	1.2
484.13989	23.0
484.21094	0.8
486.11984	6.1
498.11969	3.5
500.09708	26.6
514.11487	5.6
515.12146	14.4
530.14459	48.1
692.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70765	0.2
57.09549	0.2
99.94739	0.2
136.53842	0.2
230.28581	0.2
249.70711	0.2
290.08087	8.8
292.09900	0.4
302.08124	3.0
304.06036	8.2
308.08798	0.2
318.07608	10.9
319.08380	52.9
320.09018	3.5
321.09372	1.2
322.10727	1.7
323.11060	1.6
324.11346	1.4
334.10715	100.0
335.11044	1.2
336.12024	3.4
350.10287	0.5
389.21951	0.2
453.12585	0.3
468.14490	0.9
692.19733	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52827	0.3
87.74984	0.3
91.72713	0.3
116.99872	0.3
165.00998	0.3
180.92142	0.4
210.57401	0.4
290.08093	8.8
292.09683	3.3
302.08093	2.8
304.06049	7.8
305.06900	0.4
318.07617	10.2
319.08380	51.1
320.09161	89.0
322.10736	1.6
323.11823	0.5
324.12329	0.8
334.10718	100.0
336.28140	0.4
350.09857	0.7
512.16974	0.6
586.99304	0.5
692.23334	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
91.80294	0.4
102.37541	0.4
116.80237	0.4
129.57158	0.4
152.77335	0.5
204.20274	0.5
292.09619	14.4
304.09772	1.0
306.07513	3.4
320.09180	84.0
321.09961	32.9
334.10764	0.8
336.12302	100.0
452.19345	0.5
692.23389	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	0.7
76.89069	0.7
106.59832	0.6
171.14046	0.7
179.61485	0.6
188.42123	0.7
267.37402	0.8
290.08081	9.0
302.08038	2.3
304.06067	8.1
308.09225	3.1
318.07535	9.8
319.08377	45.2
320.09073	10.4
321.09842	1.3
322.10773	10.5
323.11041	12.3
323.14172	0.8
324.11362	10.3
334.10727	100.0
335.11258	4.6
336.12045	3.7
692.23297	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41567	0.1
53.89658	0.1
65.10741	0.1
88.03513	0.1
92.20951	0.2
97.78820	0.1
145.02814	0.1
175.01990	0.1
178.61136	0.2
284.13815	0.2
290.08020	0.6
292.09631	4.1
300.98303	0.1
304.09671	0.1
306.07593	0.5
318.07666	0.8
319.08444	1.0
320.09155	100.0
321.09866	2.4
322.10608	0.2
323.11414	0.5
324.12189	0.7
327.25320	0.1
334.10693	1.4
335.07819	0.9
336.12274	9.3
337.12509	0.2
338.13834	1.2
342.09494	0.1
350.10294	2.3
692.23285	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03922	1.6
106.36390	1.5
140.63963	1.6
171.46950	1.6
201.90598	1.7
241.21959	2.0
290.08075	6.2
304.06149	6.3
308.08347	1.8
318.07700	11.5
319.08371	51.0
320.08984	16.6
334.10745	100.0
336.12207	10.1
692.23383	62.1
698.06592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04425	0.4
89.88819	0.4
118.14843	0.4
133.71974	0.4
133.73027	0.4
232.96669	0.4
248.01849	0.4
290.08072	8.2
302.08054	2.1
304.06021	7.2
306.07648	0.4
308.91614	0.4
318.07629	9.8
319.08377	48.5
320.09186	10.7
322.10727	1.5
323.11163	0.8
324.12094	0.6
334.10706	100.0
335.07736	1.4
336.12454	0.6
350.10135	3.4
692.23291	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33588	0.1
88.82278	0.1
145.02780	0.7
145.51810	0.1
146.72011	0.2
177.05457	2.0
276.06372	0.4
290.08102	7.9
290.11334	0.3
302.08154	2.4
304.06033	7.0
318.07599	10.7
319.08377	48.9
320.09094	1.9
322.10709	3.1
323.11557	2.9
324.12341	3.9
334.10715	100.0
380.02094	0.2
512.17096	0.2
515.19678	0.2
533.75330	0.2
692.23358	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21043	0.4
52.94116	0.4
57.23123	0.4
62.02861	0.4
64.39243	0.5
68.44722	0.4
72.21095	0.5
80.05849	0.6
102.69290	0.5
173.80405	0.5
179.85464	0.5
290.08188	0.6
292.09653	6.1
303.09219	0.5
304.06097	0.5
306.07605	0.8
318.07654	1.1
319.08420	5.3
320.09177	100.0
321.09943	10.1
334.10754	8.3
335.11090	3.6
336.12268	35.0
428.88715	0.6
578.45306	0.5
616.20239	0.6
692.23358	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26846	0.4
59.42450	0.4
67.43661	0.4
80.92439	0.4
136.90977	0.5
227.39734	0.5
276.06189	0.5
290.08084	8.1
292.09680	0.7
302.08105	3.2
304.06018	9.3
318.07599	12.6
319.08383	54.1
320.09161	20.5
334.10724	100.0
335.11188	1.0
336.12329	6.8
352.15204	0.7
414.31754	0.6
432.26364	0.6
619.74017	0.5
692.24884	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
76.36420	0.3
85.52914	0.2
148.30801	0.3
151.40015	0.3
271.52493	0.2
276.06406	0.4
290.08121	8.4
294.11105	0.3
295.11862	0.4
302.08112	2.5
304.06012	7.3
306.07462	0.5
307.08261	0.4
318.07587	11.1
319.08395	48.8
320.09268	1.8
321.09842	0.3
322.10593	1.2
334.10721	100.0
335.11145	0.3
336.12210	2.1
350.10300	0.6
416.66928	0.3
498.15277	1.0
518.16711	0.4
692.23309	12.2
692.30792	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30300	0.3
53.72664	0.3
55.93962	0.3
110.40037	0.4
130.42873	0.4
150.77840	0.4
203.62138	0.4
272.89819	0.4
276.06537	1.6
290.08115	7.8
302.08014	3.1
304.06012	8.7
318.07629	12.0
319.08380	53.3
322.10883	0.5
334.10715	100.0
355.30127	0.4
393.17975	0.5
486.68396	0.4
536.45825	0.5
692.24829	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
75.50259	0.2
88.57913	0.2
92.21407	0.3
94.54811	0.2
108.38329	0.2
144.84456	0.2
158.82906	0.2
273.07727	0.3
276.06540	0.4
290.08115	9.9
302.08118	2.9
304.06042	9.5
307.08432	0.3
318.07608	13.2
319.08386	60.6
320.09091	2.7
334.10733	100.0
335.07678	0.5
335.11234	0.8
336.08774	0.3
336.12238	3.4
350.10492	0.8
498.16016	0.4
532.12427	0.4
674.24310	0.3
692.24951	49.4
720.56879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63117	0.4
90.62194	0.4
92.21533	0.6
107.34431	0.5
112.23499	0.5
122.66885	0.5
188.89299	0.6
212.04575	0.5
251.01237	0.5
272.74939	0.5
288.27594	0.5
290.08154	11.0
302.08157	3.2
304.06055	10.3
308.67880	0.5
318.07599	13.6
319.08389	56.8
320.09207	1.9
334.10736	100.0
577.22882	0.5
692.24884	52.7
703.66425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86466	0.3
62.33642	0.3
64.93259	0.3
68.87917	0.4
101.97288	0.4
136.45522	0.4
163.43771	0.4
193.08737	0.4
290.08072	9.4
302.08282	3.1
304.06018	8.4
318.07605	12.3
319.08365	54.9
320.09232	4.0
334.10709	100.0
335.10742	0.5
387.12573	0.6
692.24847	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32026	0.3
54.77937	0.4
63.73850	0.3
69.34470	0.4
114.53138	0.4
119.87813	0.5
131.95335	0.4
147.90100	0.4
290.08148	10.5
302.08191	3.3
304.06055	9.3
318.07538	12.6
319.08377	54.0
334.10721	100.0
617.52124	0.4
635.92352	0.4
686.70966	0.5
692.24902	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18847	0.3
61.62375	0.4
65.57357	0.4
81.83929	0.5
92.28786	0.4
117.67405	0.4
118.81394	0.4
161.89574	0.5
164.41621	0.4
246.24187	0.4
289.06842	0.5
290.08087	11.8
302.08151	3.1
304.05969	9.1
318.07581	13.8
319.08389	58.2
320.08881	0.9
334.10727	100.0
336.12439	0.6
692.24890	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83755	0.2
67.27086	0.3
69.12562	0.3
74.80149	0.3
76.08904	0.2
95.47493	0.3
102.77503	0.3
208.23906	0.4
290.08072	10.0
302.08032	2.7
304.06027	9.3
318.07629	12.1
319.08398	57.5
320.09171	5.2
334.10736	100.0
457.37283	0.4
692.24890	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83075	0.3
71.69769	0.3
72.98697	0.3
103.38284	0.3
117.45001	0.3
129.22484	0.4
211.28348	0.3
213.11513	0.3
276.06546	0.4
290.08112	9.0
302.08118	2.8
304.06030	9.8
318.07599	12.4
319.08371	56.7
334.10703	100.0
368.23395	0.4
500.17661	0.3
572.80908	0.4
692.24847	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96367	0.2
60.84983	0.2
62.39254	0.2
67.21874	0.2
68.57741	0.2
70.53131	0.2
70.83277	0.2
96.54649	0.2
148.40001	0.2
193.13124	0.3
286.58948	0.2
290.08105	8.9
302.08133	2.8
304.06036	8.4
318.07626	13.3
319.08392	56.6
320.09018	1.1
334.10724	100.0
336.12341	2.4
594.91577	0.3
644.16663	0.3
674.22406	1.1
692.24884	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53061	2.2
56.74693	2.7
71.68052	2.4
72.51704	2.2
73.38673	2.3
73.73670	2.5
81.99884	2.4
82.25404	2.5
97.49879	2.6
99.04447	6.6
100.01375	2.6
112.68836	2.8
133.06490	3.6
157.61984	2.9
161.05963	3.7
166.06253	12.2
181.08582	54.9
190.06281	14.5
191.06804	3.0
199.07529	29.0
205.08626	31.1
276.11401	4.2
277.08456	3.1
289.08551	5.2
290.08429	3.4
303.10135	5.1
304.10904	6.4
305.08163	9.5
305.11734	21.9
307.13068	3.7
319.08435	4.6
320.09085	18.6
321.11200	35.0
330.16248	3.2
334.10330	7.8
335.12778	4.0
336.13531	60.8
337.10638	3.7
343.77612	2.8
367.15399	100.0
427.17551	16.4
562.74561	3.1
692.23950	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62790	1.8
77.32966	1.8
85.86694	1.9
92.20885	2.9
99.04459	4.7
105.07043	3.9
133.06471	3.9
161.05952	8.7
166.06238	9.9
175.07526	10.0
181.08598	63.8
190.06311	15.9
199.07513	27.8
205.08592	40.5
233.39868	2.2
234.23697	2.3
261.09354	2.9
289.08698	8.3
291.10101	2.3
303.10199	3.3
304.11026	18.7
305.08331	4.5
305.11618	22.9
307.13074	3.3
319.08411	2.5
320.09726	9.8
321.11316	27.4
334.10684	5.3
335.12762	17.9
336.13538	58.1
367.15405	100.0
384.08841	4.6
427.17184	18.8
692.22729	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94076	0.9
56.68178	0.9
57.16152	0.9
67.09363	1.1
69.67995	1.0
70.02624	1.0
79.22882	1.0
105.07034	1.2
107.04942	1.5
117.07043	1.2
133.06485	2.1
136.05191	9.0
140.07671	1.0
151.07541	62.8
160.05190	23.4
161.05971	7.5
163.07518	1.2
167.05011	1.7
171.08073	1.7
173.12726	1.3
175.07530	66.9
184.05283	1.3
188.26711	1.3
199.07532	26.1
245.09601	1.8
246.10373	5.3
261.09091	2.4
262.09570	1.2
273.09131	4.7
274.09918	13.8
275.10687	4.5
277.12225	9.9
290.09454	8.1
291.10144	15.7
305.11713	20.8
306.12457	36.2
307.09595	1.6
307.13751	1.3
309.11545	1.3
309.14941	1.6
320.09216	1.6
322.11893	8.3
324.83456	1.2
335.42505	1.2
337.14322	100.0
397.16415	20.0
556.44855	1.3
637.88757	1.2
648.22351	1.4
662.19855	1.9
692.24426	14.5
724.28113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86138	0.2
83.30867	0.2
85.02817	0.3
97.29539	0.2
161.05896	0.5
162.06607	0.3
272.49756	0.3
276.06534	0.6
290.08102	6.0
291.08768	0.3
302.08078	2.1
304.06018	5.9
306.07468	1.7
315.08679	0.3
317.06696	2.6
318.07559	7.3
319.08386	42.4
320.05429	0.6
320.09036	7.4
321.05972	0.4
321.09497	6.4
322.09824	5.6
323.10040	3.2
324.10336	1.1
334.10721	100.0
335.07529	3.4
335.11203	2.9
336.12204	3.6
337.12595	1.9
338.12860	1.2
350.10239	14.5
368.11163	2.1
442.04486	0.3
530.16602	1.3
692.31146	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54058	1.4
57.17492	1.7
59.12054	1.6
60.20160	1.6
73.66408	1.7
78.32866	1.7
81.07051	1.9
99.04453	2.5
120.91747	1.8
135.38249	1.7
149.06085	1.7
178.00494	1.7
320.09189	9.9
321.09616	2.8
323.11536	2.0
336.12210	11.3
366.09824	10.1
374.10208	2.8
374.48340	1.7
376.11768	3.4
388.11707	3.5
391.10159	2.2
442.20206	20.2
458.19653	18.9
468.17691	1.8
486.12576	3.0
486.19131	50.1
504.20514	3.2
528.18408	7.3
674.30719	2.8
692.30988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91403	0.2
67.41210	0.2
76.57941	0.2
102.60781	0.2
168.25780	0.2
265.08234	0.2
290.08075	6.4
292.09686	0.4
302.08142	2.0
304.06006	6.4
318.07584	7.7
319.08371	44.1
320.09109	2.1
321.09906	2.2
322.10794	0.2
334.10709	100.0
335.11029	0.3
336.12280	7.7
484.13910	0.8
498.15381	1.2
686.55847	0.2
692.31830	24.2
703.66119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49334	0.8
51.63879	0.7
67.05476	0.8
70.81069	0.8
74.08450	0.8
79.05509	1.1
81.07077	1.9
85.02902	1.7
88.91421	0.9
91.03980	1.7
91.05475	1.7
93.07048	2.1
95.08645	1.3
105.07040	1.7
107.08608	1.4
107.09274	0.9
107.23669	0.9
118.41795	1.0
133.10175	1.3
135.11722	1.6
142.69046	1.2
147.11703	1.5
159.11667	2.0
161.13335	1.2
172.52803	1.1
216.68561	1.1
241.19565	1.3
259.20816	2.4
306.07690	1.2
308.08823	1.2
319.08179	1.3
320.09280	6.0
321.09909	1.7
322.10666	1.8
330.11331	1.5
334.10992	2.1
336.12476	6.1
338.13953	1.0
339.10931	1.1
343.12054	2.1
348.12704	1.0
351.25296	10.5
358.10507	1.1
359.11719	2.3
366.09631	8.4
373.17123	1.4
374.13797	10.5
374.17944	1.3
375.11014	7.2
376.11972	5.7
377.12860	2.0
383.15195	1.1
384.11081	4.2
390.13589	1.8
399.14703	1.2
401.16339	4.2
402.17218	10.1
404.18631	7.6
414.16922	8.9
422.78940	1.1
432.18024	68.9
440.34439	1.1
614.85455	1.1
618.17548	1.1
692.30835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91403	0.2
67.41210	0.2
76.57941	0.2
102.60781	0.2
168.25780	0.2
265.08234	0.2
290.08075	6.4
292.09686	0.4
302.08142	2.0
304.06006	6.4
318.07584	7.7
319.08371	44.1
320.09109	2.1
321.09906	2.2
322.10794	0.2
334.10709	100.0
335.11029	0.3
336.12280	7.7
484.13910	0.8
498.15381	1.2
686.55847	0.2
692.31830	24.2
703.66119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14085	0.3
91.05411	0.5
214.64474	0.5
237.65001	0.5
292.09641	8.2
294.57910	0.6
304.09485	0.6
306.07639	3.3
320.09128	8.7
321.09955	28.9
334.10721	0.5
336.12289	100.0
337.12701	1.6
692.34320	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.05519	2.3
56.31081	1.3
67.05499	8.1
69.03422	2.6
69.07069	13.0
71.05001	2.9
79.05499	13.6
81.03409	2.5
81.07062	20.5
83.04985	2.0
85.02901	29.6
85.06547	6.0
85.46320	1.3
87.08769	1.4
91.04986	1.7
91.05465	15.1
92.21823	1.4
93.07047	14.5
95.04967	7.2
95.08593	7.3
97.02879	13.3
97.06523	2.8
99.04459	1.9
99.08104	6.2
105.07051	12.7
107.04951	10.6
107.08587	2.6
109.02907	2.7
109.06504	10.3
111.08065	6.7
117.06996	7.6
119.08600	13.1
121.06491	6.8
121.10185	3.0
123.08044	3.5
125.02382	1.6
125.09653	2.6
127.03918	3.0
127.07491	1.7
129.07007	7.3
131.08554	8.0
133.10114	6.7
135.08040	3.1
137.05992	7.3
139.07539	2.4
140.79448	1.6
143.08522	3.1
145.05011	1.9
145.06468	2.2
145.10120	8.6
147.07985	1.9
147.11676	3.5
149.09598	2.8
155.08530	2.1
155.58194	1.4
157.10104	2.3
159.08043	2.7
159.11681	9.1
161.09662	2.1
163.11180	5.5
167.07013	3.6
167.08469	1.7
169.10089	1.9
171.11688	1.4
173.09612	1.7
177.12714	8.6
181.04877	1.8
183.11687	1.8
185.09651	2.3
187.11143	1.8
195.13794	5.5
213.12657	2.5
213.47488	1.5
219.14015	1.8
279.17529	2.5
290.08145	11.7
297.18527	6.9
304.06027	8.6
315.19501	18.2
317.96518	1.8
318.07681	13.1
319.04669	2.0
319.08356	51.2
320.09091	12.1
333.20575	44.7
334.10742	100.0
335.11362	2.7
336.12173	6.6
341.54965	1.6
350.10269	15.0
351.21729	2.6
369.13403	1.8
399.14444	2.9
621.18848	1.6
639.23608	2.1
692.21094	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.03436	2.6
61.02929	14.5
61.76192	1.2
67.05505	11.6
69.03404	1.1
69.07053	4.3
71.04958	1.6
73.02911	4.5
79.05489	15.1
81.03448	1.2
81.07059	15.4
83.04973	2.0
83.08620	2.7
85.02900	15.3
91.03948	15.2
91.05480	13.8
93.07038	28.5
95.04929	1.7
95.08602	14.1
97.02901	9.9
97.06481	1.4
99.04457	6.2
99.08086	1.1
105.07021	20.9
107.08581	18.9
109.10140	7.7
117.06985	2.6
118.40867	1.2
119.08567	23.8
121.06457	1.4
121.10135	18.5
123.11701	1.6
127.03908	4.4
129.06990	2.5
131.08548	10.0
133.10136	28.6
135.11684	15.2
137.09541	1.1
143.08600	4.5
145.04996	4.3
145.10089	11.2
147.11679	20.2
149.13240	8.9
157.10097	2.3
159.11690	14.3
161.13266	14.4
163.05988	8.0
163.14874	1.5
171.11697	6.1
173.13263	7.3
175.14827	6.1
185.13297	8.6
187.14883	1.6
189.16411	1.4
199.14830	2.2
220.68405	1.3
229.86658	1.5
231.21088	2.1
241.19470	8.0
259.20535	31.4
269.15192	1.5
321.09888	1.5
336.12222	9.9
337.12631	1.5
351.25296	100.0
366.09775	2.0
384.10895	1.4
459.27277	1.8
477.28284	1.5
495.29532	5.1
692.31421	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26111	1.2
52.11958	1.6
55.05521	2.7
55.22059	1.8
57.03435	3.9
58.72412	1.4
59.41254	1.5
61.02917	7.5
67.05506	11.9
69.07066	3.3
73.02914	3.5
79.05515	15.9
81.03416	2.1
81.07056	17.5
83.04980	2.9
83.08616	2.2
85.02915	16.1
91.03964	10.7
91.05471	15.7
92.20971	1.9
93.07040	23.3
95.08624	13.8
97.02897	10.4
99.04452	3.7
99.08077	2.0
105.07016	21.7
107.08594	16.3
109.10176	8.4
117.07011	4.4
118.74509	1.6
119.08585	21.1
121.10152	16.1
127.03932	2.3
129.07013	4.0
131.08626	15.9
133.10136	25.6
135.11682	13.7
145.04933	3.1
145.10123	11.1
147.04404	8.3
147.11667	22.2
149.13295	9.3
157.10207	3.0
159.11699	12.0
161.13264	13.0
163.06017	8.1
171.11694	9.4
171.93773	2.1
173.13280	7.0
175.14821	4.4
185.13301	8.3
199.14813	2.9
219.17444	7.0
220.17683	3.1
241.19504	9.1
259.20541	29.2
275.20145	2.5
320.09143	2.1
321.10056	7.2
336.08694	3.2
336.12268	27.1
337.12735	1.9
338.13995	2.7
349.23557	7.4
350.24106	10.6
351.10959	4.0
351.25281	100.0
352.11279	4.1
352.15317	2.9
366.09656	2.4
459.27753	2.8
477.28201	2.8
495.29483	8.1
617.19672	2.4
645.16321	2.7
662.25287	6.9
692.25830	8.4
692.32068	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38661	0.7
53.03962	7.2
55.01880	1.7
55.05512	4.6
57.03436	1.7
57.07069	1.2
67.05512	14.7
69.03435	6.6
69.07079	5.0
71.01357	1.0
71.04992	4.2
73.02918	21.0
78.09752	0.6
79.05492	12.3
81.03426	19.5
81.07063	19.7
81.07522	0.9
83.04976	3.8
83.08616	3.9
83.87971	0.6
85.02907	7.4
85.34338	0.6
87.04466	2.9
91.05481	10.0
93.07049	18.4
95.04960	4.1
95.08603	12.8
95.35649	0.6
97.02894	8.1
97.06517	1.4
99.04456	100.0
103.03910	0.7
105.07031	11.6
107.04920	0.9
107.08588	10.1
108.04468	0.8
109.02877	4.1
109.06521	1.2
109.10154	9.0
111.04441	3.9
117.07014	5.2
119.08571	11.6
121.06497	0.9
121.10136	12.9
123.08021	1.6
123.11718	1.2
127.03899	9.2
129.07007	2.6
131.08571	9.6
133.06496	1.2
133.10130	7.0
135.04390	0.8
135.08052	1.7
135.11658	8.9
137.05980	10.4
137.09576	1.1
141.05469	3.5
143.08548	4.6
145.04976	1.3
145.06384	0.7
145.10126	8.9
147.08073	1.2
147.11694	5.5
149.05867	0.8
149.09567	1.2
149.13257	5.6
151.07538	1.6
155.08537	3.0
156.81708	0.6
157.10167	4.1
159.11734	5.5
161.05998	1.2
161.13228	4.1
163.07585	0.9
163.11174	0.9
163.14816	0.8
169.10097	1.2
171.06598	1.2
171.07980	1.1
171.11667	3.2
171.91818	0.7
173.13231	5.2
175.07533	0.8
175.14755	2.7
179.10658	0.7
181.10130	0.8
183.11671	1.2
184.07364	1.2
185.13229	1.4
187.14828	1.7
195.11674	0.9
197.13234	1.3
203.07121	0.8
209.13312	1.0
215.61801	0.8
217.08675	1.0
221.08139	1.1
225.12798	0.8
239.14365	0.8
243.08687	13.0
243.21083	1.2
245.08047	3.6
259.20575	3.3
261.22128	8.1
263.09140	3.2
303.23199	1.7
309.22302	0.9
315.23123	1.6
317.20892	0.7
323.24142	0.7
327.23297	0.9
351.23138	4.6
369.24216	10.0
387.25250	7.2
405.26279	5.4
423.27304	1.1
444.01251	0.8
467.27908	9.6
485.29025	17.8
503.30005	12.3
521.30957	4.5
639.35443	1.0
692.39056	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.05518	1.6
66.19926	1.1
67.05529	10.3
69.03423	7.6
69.86185	1.1
71.04999	1.5
71.08615	1.4
73.02929	12.0
78.30093	1.1
80.37698	1.2
81.03418	14.2
81.07050	7.4
83.04998	2.2
83.08636	1.3
85.02905	13.4
87.04456	1.6
93.07028	1.7
95.08598	3.2
97.02885	6.8
97.10153	2.0
99.04456	100.0
105.07040	5.3
107.08564	1.8
109.02880	8.9
109.10161	7.7
111.04475	2.7
117.05483	3.2
119.08530	1.8
123.08040	1.4
123.26609	1.3
125.09616	5.4
127.03880	15.1
131.04922	1.3
131.17091	1.3
131.96822	1.6
133.06477	5.8
135.11697	1.4
137.09598	1.5
141.05516	1.6
145.04918	1.7
145.10078	1.3
147.11684	1.7
151.07333	1.4
161.05923	2.9
166.06287	6.3
167.04901	1.4
171.08035	1.4
173.11729	2.2
175.07587	2.4
181.08597	32.3
189.11166	1.4
190.06261	14.9
193.08548	1.5
199.07552	20.2
205.08591	35.6
206.09206	1.7
230.10320	1.3
243.08614	5.4
253.06721	1.5
261.09549	9.0
277.21646	2.2
289.08496	5.2
293.11829	1.5
303.10162	3.1
304.10892	6.6
305.08347	3.7
305.11661	11.7
307.13251	2.1
319.08209	1.9
320.09595	6.9
321.11252	23.0
334.10776	8.0
335.12814	10.0
336.13562	43.3
337.10886	1.7
345.15417	8.9
367.15393	67.6
397.18558	12.9
427.17374	6.3
519.29547	2.1
686.49237	1.6
692.22833	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74034	1.3
79.05492	2.6
91.05424	1.5
93.06995	1.5
107.08596	2.4
119.08542	1.9
121.10178	1.6
123.29716	1.6
149.13292	1.6
192.39641	1.9
272.29141	1.6
277.63770	1.8
321.09634	1.9
336.12189	16.0
337.12665	3.6
348.72012	2.3
349.23624	2.1
358.06848	100.0
631.49115	1.8
693.33081	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12068	0.4
55.05509	0.8
56.50810	0.3
61.02942	0.3
65.90958	0.3
71.05001	0.4
72.54846	0.4
79.66062	0.4
83.04988	11.9
84.81686	0.4
85.02892	2.0
111.04453	9.9
129.05507	0.7
153.05476	2.5
171.06534	1.6
177.05469	0.5
226.07486	0.4
231.08600	4.3
253.65335	0.4
285.05203	0.5
285.07547	21.9
286.04691	10.4
301.07059	100.0
319.08344	0.5
320.09048	1.8
321.09903	1.5
323.11105	0.4
334.10739	1.5
336.12286	4.4
337.12717	1.8
338.09747	0.6
352.15320	1.3
379.72540	0.4
463.12402	5.9
547.14716	4.5
631.18091	0.5
631.92743	0.4
675.17975	0.6
693.19263	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06318	0.4
63.32885	0.4
67.05512	0.5
72.92712	0.5
73.40096	0.4
79.03728	0.4
83.04972	4.2
83.48843	0.4
85.02880	0.7
93.07025	0.6
105.06948	0.6
107.08625	0.8
111.04431	3.6
114.26335	0.4
116.01781	0.5
121.06567	0.5
155.90094	0.5
231.08617	2.3
286.04797	1.2
289.22232	0.5
292.09879	0.6
301.07034	100.0
313.50302	0.5
321.09848	0.9
334.10547	0.7
335.11145	0.7
336.12314	6.3
337.12616	1.2
351.25528	0.8
462.55423	0.6
463.12195	4.5
481.04428	0.5
693.19598	10.5
693.29614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86152	0.2
69.03435	0.5
71.54739	0.3
83.04987	6.1
111.03696	0.6
111.04436	9.1
112.23729	0.3
115.76727	0.3
129.05426	0.3
153.05463	3.9
177.05476	0.4
192.45470	0.3
229.07108	0.3
231.08678	4.4
259.08667	0.4
262.62515	0.3
285.07538	2.8
286.04779	1.9
290.08038	0.4
301.07056	100.0
304.05826	0.4
319.08438	3.0
320.08963	4.8
321.09692	0.5
322.10559	0.3
323.11255	0.5
334.10693	4.5
335.11069	3.0
336.12393	2.7
337.12811	1.3
365.16348	1.6
367.17950	1.3
451.01556	0.3
458.12482	0.3
463.12268	3.6
686.58099	0.3
693.19214	4.6
693.37830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06318	0.4
63.32885	0.4
67.05512	0.5
72.92712	0.5
73.40096	0.4
79.03728	0.4
83.04972	4.2
83.48843	0.4
85.02880	0.7
93.07025	0.6
105.06948	0.6
107.08625	0.8
111.04431	3.6
114.26335	0.4
116.01781	0.5
121.06567	0.5
155.90094	0.5
231.08617	2.3
286.04797	1.2
289.22232	0.5
292.09879	0.6
301.07034	100.0
313.50302	0.5
321.09848	0.9
334.10547	0.7
335.11145	0.7
336.12314	6.3
337.12616	1.2
351.25528	0.8
462.55423	0.6
463.12195	4.5
481.04428	0.5
693.19598	10.5
693.29614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
65.80468	0.1
69.03419	0.6
78.82856	0.1
81.07022	0.1
83.04982	5.4
85.02883	0.2
85.71138	0.1
99.04463	0.2
100.36618	0.1
111.04443	9.1
129.05467	0.7
148.74005	0.1
153.05466	3.2
171.06509	0.2
213.07632	0.5
229.07504	0.1
231.08614	4.3
246.57640	0.1
258.05243	0.6
261.10034	0.1
283.06046	0.2
285.07523	3.4
286.04694	2.1
291.12650	0.1
292.09808	0.1
301.07053	100.0
319.08258	0.3
320.08603	0.4
321.09671	0.2
322.10724	0.2
334.10587	0.6
335.11108	0.6
336.12317	1.0
337.12680	0.5
347.15332	0.1
349.16644	0.2
352.15375	0.2
363.39667	0.1
365.16223	0.8
367.17880	0.6
385.18912	0.1
463.12439	2.8
693.19696	4.0
693.38220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33864	0.2
53.26817	0.2
53.98307	0.2
58.06594	0.3
88.71264	0.2
91.91700	0.3
99.04434	0.2
129.39644	0.2
166.33736	0.2
167.07094	0.3
173.71413	0.2
194.90726	0.3
201.31422	0.3
231.40791	0.3
233.19017	0.2
292.09644	9.3
294.11411	0.2
304.09735	1.4
306.07687	2.6
320.09167	9.4
320.12775	0.4
321.09946	26.3
322.10443	0.3
334.10873	0.3
335.11136	0.2
336.12292	100.0
337.12543	0.4
531.17834	1.3
654.70520	0.3
693.22919	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2325
Annotation	Cathayanon B
Peak:m/z	Relative Intensity
76.80672	0.3
77.86362	0.5
81.03398	0.5
119.04922	0.4
137.02342	100.0
161.06023	0.6
177.09134	0.4
191.03589	0.5
197.97197	0.5
203.07036	25.1
203.10835	0.5
229.04979	0.5
253.05101	0.5
255.06415	0.9
257.04440	0.8
271.06076	0.6
281.04568	1.6
295.09235	0.5
299.05484	16.6
311.05560	2.7
323.05478	0.8
323.08908	0.5
325.06778	4.1
334.10376	0.6
339.12250	1.7
347.09204	0.6
349.06934	0.6
355.11859	3.8
365.10181	18.6
421.16522	2.8
525.51080	0.5
637.17548	0.5
693.23285	41.4
698.18597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45900	0.9
53.34539	1.1
59.95377	1.0
66.95392	1.0
69.03426	6.4
72.84608	0.9
77.42635	0.9
81.03440	2.8
83.05047	1.4
85.02888	5.8
85.06530	1.4
91.05487	11.0
95.04947	1.4
97.02888	1.7
109.02823	2.4
119.04936	29.4
120.91348	1.0
145.06474	1.8
147.04408	38.8
157.03996	2.4
164.08263	1.4
165.09122	1.3
166.06229	2.0
167.07024	2.2
175.03906	86.2
176.08286	1.5
179.07005	2.6
180.07809	1.8
181.08611	23.5
188.08351	2.2
191.07004	1.6
192.04149	1.4
192.07747	9.7
193.08646	2.0
195.10178	16.6
204.07744	2.1
207.06523	100.0
207.10136	8.0
208.07362	2.0
211.09572	1.5
219.10158	5.6
221.08168	2.4
223.09706	6.5
225.07608	1.6
231.10210	1.4
235.09680	2.4
247.09695	1.7
265.10803	2.3
273.11008	2.3
290.08090	1.1
297.20084	1.3
308.10614	1.9
315.11926	1.3
315.61911	1.3
316.29968	1.1
319.08307	3.9
320.09058	6.3
321.09503	1.8
321.61829	1.6
329.11346	2.0
329.61746	4.2
334.10803	9.3
335.10999	2.6
336.12323	2.5
337.12930	4.4
337.63293	4.2
345.13293	1.7
397.12598	2.6
521.28143	1.3
591.21356	2.7
693.27997	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68527	0.4
55.01877	0.7
57.03454	0.9
57.46155	0.4
67.05515	0.8
69.03432	3.5
78.93469	0.5
79.05489	0.8
81.03426	3.3
81.07072	0.7
83.00304	0.5
83.04983	3.0
85.02894	2.4
85.06528	0.8
85.33424	0.5
91.05484	9.8
93.07034	0.6
95.04964	1.2
95.08585	0.6
97.02892	2.4
97.06520	3.9
99.04450	0.9
105.07083	0.8
107.04983	0.9
107.08619	0.6
109.06538	0.9
113.05981	1.1
119.04944	23.5
121.06500	1.1
123.04398	0.6
123.08068	1.0
133.06464	0.8
137.05939	1.0
139.07529	2.4
147.04411	27.7
147.08018	2.4
149.06007	0.8
151.07515	2.4
153.92906	0.6
157.03963	2.5
163.07550	1.3
165.05421	0.5
167.07056	1.1
175.03902	76.3
175.07544	2.2
176.08305	2.1
177.05482	0.7
179.07027	4.1
180.07851	2.3
181.08588	17.2
188.08362	0.9
191.07004	1.2
192.04196	0.8
192.07822	9.2
193.08624	3.8
194.77229	0.5
195.10187	12.7
196.07297	1.0
204.07773	0.9
206.09395	0.7
207.06526	100.0
207.10158	7.2
208.07170	1.1
211.07954	0.7
211.09547	4.6
219.10185	2.7
221.08049	4.7
223.09593	6.2
226.08238	0.6
229.10768	1.0
231.10170	0.8
235.09651	0.8
247.09569	1.3
249.11314	0.7
259.09747	0.8
261.11331	0.9
296.09219	5.5
297.09537	6.2
315.61841	0.6
319.08365	3.2
320.09003	3.5
321.09720	0.9
322.06747	0.7
323.07651	0.7
324.08597	12.0
325.08990	12.3
334.10773	6.6
335.10974	4.1
336.12207	0.9
337.12839	2.4
355.13898	1.1
367.13748	0.8
370.69669	0.6
403.17065	0.7
427.86765	0.6
469.20621	0.9
556.02606	0.6
591.21082	1.2
693.18262	12.3
693.29663	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31535	1.3
60.38004	1.8
79.06849	1.7
112.39185	1.8
121.00552	2.0
147.09526	2.0
150.59300	2.0
188.30573	1.9
251.07596	1.9
433.23947	2.3
434.24365	2.2
435.25754	2.8
446.21466	1.9
447.22067	3.2
459.21783	4.4
460.22711	10.2
461.23523	10.9
473.23215	8.3
480.25067	2.3
485.23740	3.4
487.25446	6.6
503.24640	7.3
505.22754	3.0
517.26135	2.8
531.23712	3.2
533.25421	12.0
559.24176	3.1
593.28107	7.7
605.30261	2.3
609.27283	22.0
615.29535	3.1
633.30737	30.0
650.30176	2.4
652.31195	2.5
693.32916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33302	0.8
60.62276	0.9
67.28704	0.9
74.71246	0.9
87.21143	1.0
91.60889	1.0
93.07093	1.0
95.08601	1.0
165.40106	1.0
435.25360	1.3
447.21838	6.3
459.21661	12.4
460.22205	11.0
461.23376	12.8
473.23584	4.6
474.23782	1.8
487.24905	4.1
488.25784	1.2
492.25290	1.8
503.24692	1.2
505.22208	2.1
517.26007	4.7
519.23694	2.0
532.24396	1.4
533.25494	18.7
534.26617	1.2
535.26971	4.5
577.24170	1.7
592.27325	1.8
593.27911	4.9
605.30975	4.9
633.30573	28.3
693.32788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55149	0.5
61.55382	0.6
71.28251	0.5
78.74426	0.6
91.28515	0.7
96.83226	0.6
97.96282	0.6
358.30521	0.6
420.22946	1.0
433.24393	2.4
445.24316	0.8
457.24036	2.7
458.25089	2.1
459.21283	7.5
460.22485	1.5
461.23468	0.9
470.21164	0.7
472.22687	2.8
473.23346	14.2
474.24219	2.4
475.21014	2.6
476.22202	4.0
477.27148	0.7
484.22806	3.6
485.23407	16.4
486.19473	4.5
487.25238	6.6
489.23257	4.0
497.22903	0.9
499.21497	1.4
500.22229	2.9
501.22916	0.8
502.23999	2.6
503.24390	15.8
504.25003	0.8
513.23114	3.9
514.23352	2.3
515.24390	11.8
521.25275	2.6
524.26312	0.8
531.23853	24.3
533.25757	2.7
543.03662	0.7
545.25891	0.9
548.24615	0.8
549.25201	2.6
559.23529	6.9
572.28369	1.0
587.30438	7.0
591.26337	1.5
599.30286	1.2
615.29675	33.1
633.30157	3.4
643.29095	2.3
675.31818	55.6
693.32782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03671	4.7
75.61064	6.2
78.63425	5.2
110.53266	6.3
112.31186	6.1
112.40996	6.5
152.35220	6.5
196.16878	8.7
209.49359	6.2
263.23022	6.5
423.76382	6.8
473.23291	14.2
485.23175	10.8
503.24179	7.1
615.29791	45.4
675.31207	34.6
693.32764	100.0
693.49902	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3691
Annotation	(-)-Bisisomahanine
Peak:m/z	Relative Intensity
53.44848	0.9
55.05515	1.7
57.03446	1.6
58.06604	7.2
61.02931	2.1
62.33281	1.0
63.95680	0.9
67.05508	15.9
69.07077	8.9
71.08629	12.8
79.05494	10.6
81.03423	7.8
81.07069	16.4
83.04983	2.6
83.08626	2.4
85.02916	1.7
85.10194	1.4
91.05495	5.9
93.07049	14.4
95.04965	10.7
95.08602	8.0
97.10171	4.8
99.08093	10.2
99.39157	1.1
105.07035	8.5
107.08598	14.1
109.10178	8.2
117.07032	1.9
119.08561	5.6
121.10138	7.1
123.11678	4.8
125.09647	1.7
131.08525	1.5
133.10135	9.0
135.08095	4.2
135.11691	6.2
147.11693	7.7
149.13219	2.6
151.11183	30.6
161.13197	8.1
163.11186	2.0
163.14845	1.4
165.12718	2.2
171.10216	1.2
171.11652	2.7
173.11725	1.5
175.14807	1.4
179.14294	6.8
181.13391	1.4
185.13467	1.3
189.12683	1.4
193.15898	1.4
213.08145	1.4
231.21045	2.3
241.19429	2.2
249.22093	1.5
259.20410	1.7
268.99481	1.4
277.21649	18.4
278.75473	1.4
319.08264	2.2
320.08923	2.6
322.10577	6.6
334.10855	4.7
335.11145	2.5
336.12189	6.0
337.12619	4.5
338.10272	6.5
338.13956	1.6
351.25314	100.0
354.09592	1.9
354.13599	4.2
369.26178	10.4
418.98935	1.5
440.31219	1.3
513.30316	5.6
617.87976	1.5
693.23120	10.1
693.34772	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53063	4.0
64.92396	4.1
67.05499	8.8
69.07060	6.5
71.08631	40.4
79.05496	9.1
79.78203	4.5
81.07053	11.0
83.08646	5.3
91.05501	8.7
93.07044	19.1
94.61706	4.3
95.08591	8.1
99.04436	10.3
99.08090	36.2
105.07040	6.8
107.08601	9.9
116.05451	5.3
117.30962	4.9
121.10149	8.5
135.11703	4.9
151.11176	23.4
161.13283	6.5
163.11151	6.8
179.14232	10.8
229.51180	4.5
277.21689	20.8
320.09235	6.5
321.09741	5.7
334.10782	7.7
336.12302	21.5
337.12384	11.0
338.10306	10.6
351.25256	100.0
369.26389	30.4
526.30170	6.1
541.81738	5.3
693.23834	20.7
693.38110	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64075	2.5
62.93460	2.8
66.02752	2.7
67.05502	7.4
69.07066	13.2
70.60046	2.8
79.05476	10.6
81.03404	4.1
81.07069	21.1
83.04968	3.8
83.08653	4.2
86.30006	3.0
91.03942	3.3
91.05472	3.4
93.07036	15.1
95.04970	11.6
95.08630	3.7
97.85870	2.9
99.08099	2.9
105.07059	5.6
107.08614	15.1
109.10160	4.6
119.08591	4.4
125.09641	5.2
131.08519	3.1
133.10138	13.8
135.11699	4.0
147.11710	6.0
149.13283	4.0
151.11183	35.2
161.13300	6.3
163.11227	3.3
163.14845	3.5
165.12849	4.1
171.45532	3.3
175.14792	6.5
185.13205	3.9
201.96262	3.2
241.19603	4.3
249.22096	3.5
277.21616	35.7
312.05072	3.1
334.10818	6.1
337.12680	3.5
351.25336	100.0
369.26331	36.4
636.21680	3.7
642.08282	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02226	1.8
55.05513	2.9
66.19662	2.0
67.05511	15.0
69.07072	13.2
79.05502	3.9
80.77066	1.8
81.03439	3.0
81.07061	14.2
83.04948	3.3
83.08603	3.5
91.05438	1.8
93.07038	14.4
95.04961	12.3
95.08601	4.3
105.07046	4.9
107.08614	13.6
109.10159	10.7
119.08554	5.2
121.10162	7.8
125.09654	3.8
133.10152	9.0
135.08038	2.8
135.11641	2.5
147.11707	9.8
149.13226	3.4
151.11180	36.8
155.99591	2.7
157.51469	2.3
161.13257	4.3
165.12738	2.6
165.75710	2.2
175.14825	3.1
249.22150	3.1
277.21591	27.1
322.10443	3.4
336.12265	3.6
337.12772	2.5
348.12189	2.8
351.20950	4.0
351.25293	100.0
369.26309	19.5
385.11420	2.6
693.37415	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39962	0.5
55.19051	0.4
55.65809	0.5
58.43916	0.5
63.86418	0.5
72.93714	0.5
77.81482	0.4
79.05531	0.8
81.07053	0.9
81.31780	0.6
89.69429	0.6
92.20790	0.7
95.08649	0.6
97.06519	0.8
108.66686	0.5
126.28613	0.5
135.11739	0.7
137.93961	0.6
143.80170	0.5
163.49106	0.5
340.70068	0.6
364.13947	0.6
407.24301	1.2
577.40765	7.0
633.43158	5.7
693.45465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57935	1.3
67.05487	1.9
79.05492	2.1
81.07058	3.1
83.45803	1.1
85.06532	6.2
93.07032	6.1
95.08604	5.6
105.07024	8.1
107.08588	9.6
109.10174	4.7
119.08534	2.1
120.00707	1.3
121.10131	2.3
123.08018	1.9
123.11668	1.4
131.08531	2.4
133.10149	6.9
143.08548	1.5
145.10114	19.3
147.11664	4.8
149.13110	1.3
157.10097	5.8
159.11684	11.7
161.13188	1.8
169.10100	1.5
171.11641	2.0
173.13272	7.3
181.10098	1.3
183.11745	2.6
185.13260	2.5
195.11603	2.2
197.13231	2.4
199.14865	2.1
201.12842	1.6
203.14365	2.6
211.14894	1.8
213.16447	9.4
223.14713	2.5
225.16489	1.8
227.18007	9.1
237.16365	2.6
239.17937	2.4
253.19537	8.3
255.17355	7.5
279.21054	14.1
297.22101	54.0
329.24719	100.0
347.25845	2.0
568.83905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41563	0.2
50.91872	0.2
55.01881	2.8
55.05504	0.2
57.72425	0.2
58.06591	0.4
62.66171	0.2
66.98871	0.2
75.63792	0.3
79.05059	0.2
83.04989	4.8
85.02433	0.4
85.02908	8.5
91.80619	0.2
91.95692	0.2
100.99953	0.2
102.01937	0.4
111.04458	4.1
119.34287	0.2
129.05450	0.4
143.35144	0.2
177.05444	1.1
183.06509	2.0
206.97862	0.3
230.06592	6.4
242.05650	0.3
248.07664	1.6
270.05139	1.6
285.07568	100.0
301.07083	8.9
302.07425	7.5
319.08261	0.4
320.08960	0.5
321.09854	1.2
334.10645	1.0
336.12238	7.4
447.12814	9.2
456.87827	0.3
532.14880	0.3
548.14111	0.4
694.19098	9.9
709.66296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02423	0.3
57.03434	0.5
58.06596	0.4
59.07004	0.2
61.97211	0.3
65.48076	0.2
68.56614	0.2
71.04996	3.8
71.95210	0.2
76.66281	0.3
85.02905	4.8
86.03326	0.3
127.55000	0.3
129.05463	0.4
156.98143	0.3
183.34015	0.3
222.03740	0.4
270.05164	1.2
285.07568	100.0
292.09662	1.5
301.07037	3.9
302.07364	3.4
306.07562	0.6
319.07977	0.5
320.09198	4.5
321.09995	5.3
322.07108	1.7
322.10626	0.6
334.10721	2.6
335.11230	0.5
336.12277	18.1
337.12708	0.7
350.10214	0.4
388.31934	0.3
539.52643	0.3
548.13971	24.8
694.26056	3.8
694.40643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03431	0.6
69.03414	0.2
71.04996	3.2
83.04981	1.1
85.02904	5.3
95.08582	0.2
97.02864	0.2
99.04475	0.2
111.04433	0.4
127.03888	0.3
129.05463	0.9
133.01611	0.2
171.06557	0.3
172.06804	0.3
208.68246	0.1
242.05690	0.2
270.05142	1.4
285.07556	100.0
286.04816	0.2
301.07043	9.6
302.07379	8.8
319.08203	0.2
320.09091	0.3
321.09894	1.2
322.10318	0.3
325.84937	0.2
334.10727	0.3
336.08554	0.3
336.12262	4.3
337.12628	0.2
338.13446	0.2
352.08014	0.2
368.14359	0.2
409.86566	0.2
411.31015	0.2
423.43576	0.2
444.65472	0.2
464.12766	0.2
499.96146	0.2
548.13995	19.8
585.93512	0.2
694.19641	4.8
694.31342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
57.35586	0.3
58.06604	0.3
65.40894	0.3
71.04996	4.6
77.37033	0.4
83.04979	4.9
83.41692	0.4
83.47111	0.3
84.05332	0.4
85.02916	4.8
99.04443	0.4
104.91830	0.4
111.04440	3.2
127.03989	0.4
129.05515	0.7
139.74103	0.4
151.70859	0.4
171.06480	0.7
207.06548	0.7
242.05669	0.5
285.07559	100.0
286.04645	0.8
292.09717	0.8
301.07056	43.7
302.07382	43.9
319.08386	0.6
320.09146	0.5
321.09766	2.9
334.10654	2.2
336.12241	10.7
338.13577	0.7
352.08340	0.7
352.15378	0.5
417.78220	0.4
463.12277	0.6
464.12546	1.9
548.13983	21.2
694.19940	9.7
694.31506	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30926	0.4
69.03417	0.6
74.74327	0.4
79.05531	0.4
81.07091	0.6
85.02903	1.1
91.03956	0.5
91.51674	0.4
93.07042	0.9
95.08623	0.7
112.60688	0.5
118.95675	0.4
121.10172	0.7
135.11627	0.8
163.66364	0.5
172.04021	0.9
174.05545	0.5
190.04980	16.4
213.27097	0.6
218.04570	0.6
227.97978	0.5
240.46690	0.5
261.22125	0.7
274.42996	0.5
292.06158	0.9
297.07642	0.6
304.06128	0.5
305.07108	0.8
318.07730	1.0
319.08218	1.0
334.07111	0.8
334.10797	2.0
335.11111	0.5
336.08630	10.1
336.12222	1.4
340.11826	0.5
350.06339	1.6
353.26993	2.6
364.08133	19.4
365.09042	0.7
400.03625	0.5
410.10135	1.0
412.11691	0.5
422.10443	0.7
423.10919	0.7
424.11801	1.1
425.12967	0.7
438.09933	0.9
440.11377	3.2
454.09296	2.0
459.12741	1.7
468.10840	3.6
469.11389	5.4
470.12549	4.1
500.13654	3.2
572.15948	0.7
588.14935	2.3
600.15314	3.9
602.16797	4.1
603.17529	4.9
616.14429	2.5
630.16290	0.9
631.17041	3.5
662.18665	100.0
694.21967	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98287	0.3
58.06561	0.3
60.07821	0.3
64.36052	0.3
67.62348	0.2
69.12288	0.3
70.36176	0.2
132.21104	0.3
148.85400	0.3
162.30574	0.4
172.67265	0.3
208.51115	0.3
238.74510	0.4
290.08170	2.5
291.08228	0.6
292.09268	0.5
294.07578	16.4
302.08237	0.4
304.06030	1.1
305.06384	1.2
306.06625	0.5
318.07443	2.3
319.08350	11.8
320.08835	11.3
321.09204	5.4
322.07086	100.0
334.10724	21.0
335.11035	13.1
336.12170	32.0
404.14932	0.3
472.95987	0.3
502.15036	1.4
514.15198	1.6
532.16064	2.8
664.21423	0.4
694.26080	18.8
714.20380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05825	0.8
51.72025	0.7
53.03966	0.8
54.06381	0.7
56.43048	0.7
63.97272	0.8
69.03433	2.0
77.10840	0.8
79.63493	0.9
85.02914	4.3
86.80164	1.0
93.07043	1.0
99.04450	1.9
101.26591	0.9
103.57260	0.8
119.04950	3.6
119.08527	1.1
127.03959	1.4
129.00229	0.9
130.13219	0.9
135.11679	1.4
147.04413	5.5
167.07092	1.4
175.03932	12.9
179.62733	1.0
191.07021	2.3
192.07845	4.6
200.85390	0.8
207.06534	12.4
208.06934	1.0
243.50648	1.0
266.08105	33.0
279.08899	1.1
290.08414	1.3
292.09641	2.0
293.06836	1.5
294.07596	89.6
295.08496	6.1
296.09146	2.2
306.07544	1.4
308.09177	1.4
311.07986	7.5
318.07767	1.8
319.08365	14.0
320.09232	11.5
321.09930	6.1
322.07098	21.4
322.10645	1.8
323.08005	4.0
323.32858	1.0
324.08694	1.2
326.10226	30.2
334.10669	20.8
335.11185	1.5
336.08646	2.6
336.12256	24.2
352.06665	1.0
352.11502	1.7
364.07980	2.1
444.01337	1.1
486.15530	1.7
498.15637	1.6
504.16537	9.8
532.16003	99.1
585.42584	1.0
604.91187	1.0
694.21143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25445	0.2
64.91367	0.2
71.66502	0.3
72.09238	0.3
73.18993	0.2
76.86661	0.3
79.26850	0.2
95.51413	0.3
103.52380	0.2
123.40617	0.2
132.51370	0.3
175.43407	0.3
194.24254	0.3
208.09569	0.3
230.32205	0.3
290.08127	0.3
292.09662	1.7
293.10364	0.4
308.12875	0.8
319.08435	0.4
320.09149	7.6
321.09915	5.1
322.10809	0.5
323.11423	0.5
334.10712	0.5
335.11050	0.3
336.12271	100.0
338.13797	1.2
405.12543	0.3
442.88239	0.3
509.29745	0.3
536.61017	0.3
694.24701	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25445	0.2
64.91367	0.2
71.66502	0.3
72.09238	0.3
73.18993	0.2
76.86661	0.3
79.26850	0.2
95.51413	0.3
103.52380	0.2
123.40617	0.2
132.51370	0.3
175.43407	0.3
194.24254	0.3
208.09569	0.3
230.32205	0.3
290.08127	0.3
292.09662	1.7
293.10364	0.4
308.12875	0.8
319.08435	0.4
320.09149	7.6
321.09915	5.1
322.10809	0.5
323.11423	0.5
334.10712	0.5
335.11050	0.3
336.12271	100.0
338.13797	1.2
405.12543	0.3
442.88239	0.3
509.29745	0.3
536.61017	0.3
694.24701	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55446	0.7
52.77817	0.6
54.45640	0.6
65.50604	0.7
75.99960	0.7
91.07745	0.7
97.02974	1.0
99.04469	1.0
118.65184	0.7
120.42573	0.8
138.43065	0.7
250.08730	4.8
278.08258	3.0
279.08875	14.0
280.19641	0.8
292.09924	1.2
294.11230	100.0
307.08466	1.0
308.09213	1.1
318.07721	1.6
319.08484	3.2
320.09244	7.9
321.09869	1.2
322.10709	9.9
323.11551	1.7
324.12924	1.1
334.10724	7.6
336.12259	16.6
338.13461	0.9
353.23071	1.1
404.11401	1.2
412.08304	1.6
430.09436	0.9
470.16229	1.6
471.28537	0.8
484.14377	1.7
498.15799	3.1
499.16412	1.5
502.15283	3.2
516.16699	3.3
532.19598	4.5
578.58160	0.9
650.22552	3.6
662.22913	0.9
664.21625	1.1
678.22388	4.8
694.25043	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49574	0.1
53.43185	0.2
54.86999	0.1
61.26118	0.1
84.38857	0.2
88.84913	0.1
89.43163	0.1
96.24669	0.2
127.78656	0.2
164.73422	0.2
164.83516	0.2
251.30830	0.2
251.96120	0.2
292.09796	1.9
292.12814	0.2
293.10492	0.3
308.12735	0.9
320.09143	7.7
321.09912	4.7
334.10477	0.3
336.12283	100.0
382.24142	0.2
694.24890	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95177	0.4
84.33836	0.4
85.02798	0.6
87.82134	0.5
116.80710	0.5
206.11633	0.6
266.08124	6.8
292.09607	4.0
294.07578	17.8
296.09177	0.6
308.09122	1.1
309.09882	2.6
318.07623	0.6
319.08316	3.8
320.09091	11.2
321.09930	6.6
322.07257	4.2
322.10550	1.0
324.06851	3.3
324.12292	24.0
326.10117	1.2
334.10727	5.4
335.11179	2.0
336.08749	2.6
336.12262	41.1
337.09384	2.2
352.06824	4.5
352.11761	100.0
498.15503	5.0
504.16473	2.3
532.16016	19.4
546.86157	0.6
639.81329	0.6
664.22186	0.6
692.34906	0.6
694.24512	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53508	0.3
73.82465	0.4
88.96745	0.4
161.19638	0.5
186.46112	0.4
213.98465	0.4
278.07962	3.0
279.08893	2.1
279.99710	0.4
294.11234	75.6
295.56622	0.4
306.07559	0.6
307.08325	0.9
308.12631	0.8
319.08371	0.4
320.09085	1.9
320.12827	1.4
321.09894	0.9
322.10724	100.0
323.11475	2.3
324.12390	3.7
334.10626	1.4
336.12311	14.3
337.13034	4.0
352.11572	2.2
352.15457	10.3
388.60007	0.5
470.15585	0.5
514.18689	0.8
694.24963	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67329	0.2
85.41444	0.2
99.04401	0.5
108.16200	0.3
118.83915	0.3
151.07384	0.3
182.40469	0.3
205.04890	0.3
236.06943	0.4
250.08572	3.4
262.08420	0.3
264.06577	1.3
278.08096	4.3
279.08868	11.4
290.08145	0.5
294.11221	100.0
307.08490	0.6
308.09140	0.7
308.33942	0.3
309.09845	0.5
319.08456	1.3
320.09216	1.6
321.09506	0.7
322.10684	8.2
323.11621	3.5
324.12143	0.5
334.10602	2.0
335.11298	0.4
336.12280	3.8
337.12646	1.4
372.04758	0.3
456.14291	0.6
470.16006	1.8
482.15970	1.1
484.13641	4.0
488.17047	1.2
498.15402	3.5
499.16293	1.8
500.17401	1.0
502.14954	4.0
514.18646	1.8
516.16327	2.0
517.17053	1.3
532.19562	4.0
650.22015	3.2
662.22461	1.5
664.20239	2.3
678.21729	3.2
679.22601	2.6
694.24939	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60883	0.5
72.82482	0.5
116.57401	0.6
122.43507	0.6
185.99899	0.6
209.33397	0.6
218.44995	0.6
250.08656	3.9
262.08417	0.6
264.06561	0.6
278.08173	4.2
279.08826	12.2
279.11374	0.6
292.09619	1.4
294.11200	100.0
297.45752	0.6
306.07462	0.8
307.08365	1.2
308.09268	1.1
319.08459	3.6
320.08881	5.7
321.09656	4.7
322.07184	1.9
322.10605	11.1
323.11539	3.3
324.12427	0.7
334.10721	5.4
335.11197	3.8
336.08453	2.0
336.12186	18.9
337.12787	3.9
338.10019	1.0
352.15048	0.9
442.09488	0.6
470.16336	0.8
482.15842	0.8
484.13931	3.2
488.17413	0.7
498.15497	4.4
499.16461	1.2
502.14566	4.5
514.18628	1.0
516.16614	3.2
532.19556	4.7
650.21863	4.0
655.03699	0.7
664.20581	1.3
678.21771	3.7
679.22961	1.4
694.24957	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90385	0.4
52.35932	0.4
53.88923	0.4
70.79395	0.5
80.68114	0.5
83.43321	0.5
92.02706	0.5
95.47559	0.5
124.06030	0.5
124.64208	0.5
147.04431	0.6
175.03857	0.9
193.82747	0.5
207.06476	1.0
238.51402	0.5
278.07925	0.8
290.08145	1.9
291.08649	0.5
292.09592	8.7
294.07489	3.9
304.06155	2.3
304.09555	0.6
305.06522	0.6
306.07452	3.5
307.08215	0.6
308.09021	0.9
311.07791	5.7
318.07666	3.7
319.08377	11.0
320.09131	28.6
321.09927	23.9
322.07095	28.1
322.10529	1.5
326.10211	14.9
334.06790	0.9
334.10739	21.5
335.11386	7.8
336.12280	100.0
348.12567	1.7
364.07867	1.0
532.14935	0.7
559.49835	0.6
646.20538	2.1
648.22174	0.7
650.24030	0.9
654.44318	0.5
660.22095	1.8
678.22748	1.1
694.26465	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27935	0.3
65.35503	0.4
68.81336	0.4
71.37051	0.3
94.67157	0.5
117.24794	0.4
137.05785	0.4
179.99965	0.4
193.88449	0.3
232.84152	0.4
290.07980	0.8
292.09644	8.4
304.05811	0.4
304.09839	1.6
305.06482	1.0
306.07538	2.4
318.07495	2.0
319.08298	5.4
320.09140	32.0
321.09906	26.9
322.10474	2.1
334.06839	0.6
334.10751	12.4
335.11414	11.7
336.12289	100.0
338.13846	2.2
352.15045	0.5
597.18256	0.4
678.22876	0.8
694.26501	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61289	0.5
56.38145	0.6
58.06617	0.8
78.10725	0.7
118.20029	0.9
177.88313	0.7
195.39520	0.8
198.15300	0.8
292.09799	0.8
293.82983	0.9
304.06177	1.1
308.09003	0.9
319.08621	3.5
320.09167	8.8
321.09500	1.2
322.10559	0.9
323.11508	1.2
334.10559	6.8
335.11008	1.3
336.12259	8.3
369.82925	0.9
373.54303	0.9
401.76917	0.9
459.16815	1.8
488.17218	2.9
491.16110	1.8
618.21356	3.1
632.22772	7.9
633.23151	3.3
636.22131	5.8
644.22528	1.4
646.21161	1.4
648.22345	4.4
650.23779	6.2
660.22290	7.9
662.23755	9.3
664.21979	14.2
678.23236	12.5
679.23816	1.8
694.26465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27700	0.8
54.09392	0.7
58.89561	0.8
58.96330	0.7
63.29735	0.8
66.15636	0.7
70.81995	1.0
71.96503	0.8
121.45461	1.0
130.42137	0.9
164.44043	0.9
190.04988	1.5
192.52054	1.0
202.98978	0.9
319.08237	7.2
320.09183	6.6
322.10620	1.4
323.11469	1.8
334.10760	17.3
335.11151	7.5
336.12326	9.8
337.12872	1.7
364.08456	1.5
459.16678	1.9
482.98026	1.3
488.17361	3.5
491.16663	1.1
618.21326	5.2
632.23291	9.4
636.22467	7.2
648.22375	5.1
650.24139	4.8
660.22693	8.1
664.22137	15.6
678.23090	13.6
679.24377	1.8
694.26300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61289	0.5
56.38145	0.6
58.06617	0.8
78.10725	0.7
118.20029	0.9
177.88313	0.7
195.39520	0.8
198.15300	0.8
292.09799	0.8
293.82983	0.9
304.06177	1.1
308.09003	0.9
319.08621	3.5
320.09167	8.8
321.09500	1.2
322.10559	0.9
323.11508	1.2
334.10559	6.8
335.11008	1.3
336.12259	8.3
369.82925	0.9
373.54303	0.9
401.76917	0.9
459.16815	1.8
488.17218	2.9
491.16110	1.8
618.21356	3.1
632.22772	7.9
633.23151	3.3
636.22131	5.8
644.22528	1.4
646.21161	1.4
648.22345	4.4
650.23779	6.2
660.22290	7.9
662.23755	9.3
664.21979	14.2
678.23236	12.5
679.23816	1.8
694.26465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49032	0.4
58.99421	0.5
61.20400	0.5
71.85680	0.6
77.35613	0.5
116.51577	0.6
117.44893	0.5
293.74231	0.6
306.07721	0.9
308.09207	0.8
318.07553	0.8
319.08472	2.6
320.09094	4.1
322.10211	0.9
323.11447	1.1
325.63831	0.6
334.10794	5.1
336.12329	6.5
338.13873	0.9
444.14612	0.8
458.16214	1.1
459.17197	1.2
488.17133	1.3
598.21600	0.8
614.21478	1.1
616.23242	4.3
618.21533	4.0
632.23132	5.1
633.23608	2.5
636.22162	6.9
644.22827	3.0
646.20667	4.0
648.21069	0.8
650.23553	5.0
660.22229	8.0
662.23779	18.4
664.21912	15.3
678.23328	16.3
679.23895	2.7
694.26398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83667	0.3
73.50247	0.3
86.69962	0.3
104.35089	0.3
232.08357	0.4
232.28683	0.3
232.69075	0.4
290.07935	0.7
292.09628	2.9
302.08139	0.3
304.05927	0.5
306.07495	0.5
308.12708	0.6
318.07645	0.7
318.71005	0.3
319.08374	3.2
320.09171	15.9
321.09924	6.0
322.10556	0.4
334.10690	7.4
334.14594	0.4
335.11432	0.7
336.12296	100.0
337.12424	0.5
352.15558	0.6
484.14093	3.7
498.15894	0.4
499.16559	2.0
517.17505	0.4
523.39093	0.3
532.20715	0.4
664.21832	0.4
694.25946	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16577	0.5
79.04921	0.5
99.04481	3.6
99.08118	0.9
137.06079	0.7
140.49577	0.6
164.64455	0.5
203.86267	0.6
284.33368	0.5
290.08203	5.8
291.08810	0.6
292.09689	10.4
302.08273	2.4
304.06241	5.6
304.09430	1.1
306.07608	3.9
307.08682	0.7
307.65955	0.6
318.07578	9.5
319.08380	38.0
320.09119	28.6
321.09900	30.4
321.13385	1.1
321.70526	0.6
322.10645	4.3
323.11557	0.6
334.10718	67.1
335.11108	6.3
336.12283	100.0
338.13806	1.0
388.02893	0.6
406.11130	1.0
408.09048	0.7
423.11227	0.8
438.13467	7.9
694.25751	43.3
696.68091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66640	0.1
52.88488	0.1
181.59647	0.2
182.93831	0.2
291.08801	0.2
292.09698	2.5
308.12775	1.0
318.07721	0.3
319.08417	1.0
320.09143	10.4
321.06213	0.2
321.09937	5.4
334.10770	2.0
335.11539	0.4
336.12289	100.0
538.34039	0.2
694.26465	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88659	0.3
72.66847	0.3
96.69785	0.3
97.96657	0.3
138.13936	0.3
147.04207	0.4
150.62299	0.3
181.08534	0.5
199.07545	0.4
290.08160	2.1
291.08405	0.4
292.09604	9.7
302.08176	0.5
303.08728	0.5
304.06033	2.4
304.09631	1.7
305.06677	1.6
306.07654	3.8
307.08377	0.6
308.09064	0.5
318.07529	2.3
319.08273	7.8
320.09125	44.0
321.09894	31.6
322.10388	1.7
334.10715	17.7
335.11310	13.0
336.12265	100.0
352.15540	0.5
420.21384	0.4
616.22119	0.5
632.23108	1.4
633.23907	0.4
636.22437	0.5
644.25006	0.4
646.21320	0.5
648.22467	1.4
650.24084	2.0
660.21893	0.6
662.23596	1.3
664.21735	3.5
678.23621	1.5
694.26312	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07343	0.1
62.11640	0.1
62.28848	0.1
85.02850	0.1
85.16283	0.1
86.03374	0.1
89.43150	0.2
92.21526	0.2
105.24824	0.1
290.08044	0.2
292.09616	2.6
307.08231	0.2
308.12796	1.5
319.08316	0.6
320.09149	12.0
320.74405	0.2
321.09915	5.4
322.10040	0.2
334.10574	2.1
335.11148	0.6
336.12274	100.0
442.13095	0.2
516.81232	0.2
559.33417	0.2
694.26373	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46930	0.2
79.51671	0.2
135.33459	0.3
292.09668	9.4
304.09659	1.4
306.07620	2.9
319.08417	1.3
320.09152	13.5
321.09952	29.7
324.61813	0.3
334.10745	1.8
335.11261	2.0
336.12292	100.0
512.13837	0.4
598.77740	0.3
604.91199	0.3
650.23602	0.4
694.26373	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48109	0.2
68.61173	0.3
75.89207	0.3
79.07521	0.2
79.47652	0.3
112.45509	0.2
126.50565	0.3
154.45462	0.3
154.61565	0.3
279.22562	0.3
294.11209	7.9
308.12805	11.5
308.16418	0.5
318.07663	0.4
319.08328	1.1
320.09378	0.5
320.12689	2.1
321.09952	0.3
322.10724	13.0
334.10629	2.3
336.12292	20.3
337.13080	30.8
352.15427	100.0
562.81262	0.3
677.05530	0.3
694.28125	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18703	0.5
63.73750	0.4
67.65466	0.4
72.87191	0.4
84.86237	0.4
104.39302	0.5
116.80257	0.5
140.61009	0.4
223.60410	0.5
237.79207	0.4
242.58305	0.5
286.85205	0.4
290.08069	2.3
292.09576	1.1
304.06140	1.0
308.09467	0.9
308.12726	12.0
318.07703	4.4
319.08368	15.2
320.09052	3.5
320.12851	3.3
321.10001	4.5
322.10715	6.4
322.72708	0.6
334.10696	43.9
336.12259	40.6
337.13058	28.9
337.17181	0.5
352.15411	100.0
361.52353	0.5
579.15204	0.5
614.92261	0.5
662.22430	6.0
694.28967	14.3
713.01001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14119	0.3
56.82318	0.3
101.93402	0.4
127.04064	0.4
153.79022	0.4
176.77692	0.4
197.68747	0.4
288.87787	0.4
290.08112	1.5
294.11084	0.5
304.05911	0.5
308.12753	12.9
318.07684	0.9
319.08395	5.6
320.12781	1.7
321.09814	0.9
322.10712	6.3
334.10687	16.2
336.12268	20.0
337.13055	33.4
352.15405	100.0
504.68796	0.5
545.81866	0.5
662.21887	2.0
694.28870	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73690	0.5
55.24184	0.5
56.78878	0.5
57.07082	1.2
60.02645	0.5
71.08639	0.8
88.99290	0.5
95.08584	0.6
165.05482	1.1
190.04993	9.8
263.05911	0.9
264.06595	0.8
277.07388	1.4
290.07986	0.9
292.06152	3.1
293.06812	2.4
303.05322	2.5
313.27383	0.8
318.07501	7.0
320.05530	7.4
320.08795	0.8
321.06308	2.4
331.04828	1.3
346.07239	4.7
347.08237	0.7
348.05173	1.2
349.05844	8.6
364.08121	100.0
676.34747	2.5
694.35773	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	4.1
60.02785	2.7
75.19364	3.3
76.04199	2.8
129.66187	3.7
190.05028	4.7
318.07581	5.6
320.05359	4.5
349.05881	6.8
364.08170	100.0
395.88751	3.2
676.34027	5.0
682.14374	4.5
694.35291	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.07066	2.8
61.02935	27.2
67.05514	35.1
69.07072	9.3
71.04979	1.7
73.02919	8.2
78.97851	1.8
79.05502	17.4
81.07064	44.7
83.04976	2.4
83.08624	4.2
85.02918	29.6
91.03958	26.7
91.05477	8.7
93.07040	35.0
95.08614	38.1
97.02885	10.0
97.06498	2.6
104.03012	1.9
105.07044	3.8
107.08598	25.9
109.10155	30.5
117.06996	4.3
118.59631	2.0
119.08591	12.5
121.10152	30.4
123.11716	12.5
127.03892	4.4
131.08574	17.5
133.10173	9.4
135.11670	28.0
137.13254	3.2
145.04965	14.5
145.10136	12.4
147.11688	9.8
149.13274	22.3
159.11662	16.4
161.13260	10.8
163.05984	13.9
163.11235	2.0
163.14865	16.1
173.13251	13.5
175.14816	3.4
177.16364	4.2
187.14822	7.7
190.04988	3.1
191.14203	2.2
201.16399	3.1
212.90462	2.0
243.21065	22.4
261.22147	68.0
335.25760	12.3
353.26855	100.0
364.08105	12.8
382.09158	8.5
404.18115	1.9
694.34198	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04192	2.2
54.56368	1.3
54.62916	1.4
55.05506	6.6
57.03437	17.9
61.02926	28.2
62.18972	1.5
67.05513	30.6
68.73529	1.8
69.03434	15.8
69.07051	8.6
71.04977	1.5
73.02910	11.7
75.04473	11.8
79.05492	20.9
81.03412	16.8
81.07056	43.3
83.04983	2.4
83.08609	7.5
85.02906	100.0
85.83463	1.6
87.04454	2.2
87.98573	1.7
91.03962	39.7
91.05454	12.9
93.05503	35.3
93.07053	32.3
95.08602	35.6
97.02888	44.3
97.06530	2.7
97.10189	2.8
99.04428	8.2
99.08112	2.3
103.03956	2.2
105.07028	12.9
107.08597	19.8
109.02888	14.2
109.10165	19.9
115.03918	2.7
117.06948	2.7
119.08579	10.3
121.10143	26.0
123.11703	9.4
127.03925	18.7
129.05429	2.5
131.08582	14.7
132.36511	2.2
133.10153	14.7
135.11705	18.4
137.13245	2.6
138.21538	2.2
143.08537	2.8
145.04965	16.6
145.06488	2.2
145.10132	13.3
147.11678	9.9
149.13255	9.7
157.10100	3.3
159.11674	11.3
161.13281	9.2
163.06001	25.6
163.14862	7.0
166.16344	2.0
169.10141	2.3
173.13304	10.7
175.14876	2.9
243.21088	8.1
255.10762	20.4
259.20694	2.8
261.22113	23.2
279.23270	7.6
335.25699	4.2
345.24149	3.5
353.26721	18.4
355.42172	1.9
357.24133	7.3
369.24271	14.2
387.25262	17.7
405.26416	22.9
423.27371	45.5
497.31177	7.4
659.36163	2.7
694.31476	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27483	0.5
53.03942	0.5
55.05522	8.1
57.03445	5.2
57.07083	3.5
61.02936	20.2
65.03942	0.7
67.05510	44.5
69.03415	3.6
69.07066	8.9
71.04989	1.4
73.02913	8.2
75.04475	0.7
79.05496	24.9
81.03419	2.0
81.07063	66.7
83.04987	2.4
83.08633	8.0
85.02908	30.1
85.06547	3.1
91.03959	26.7
91.05477	10.7
93.05498	1.1
93.07043	41.9
95.04987	1.3
95.08607	61.6
97.02897	16.1
97.06552	4.3
97.10169	4.9
99.04481	1.3
99.08082	3.2
105.07034	14.2
107.08593	36.8
109.02842	0.7
109.06557	0.8
109.10159	38.3
111.08084	1.3
115.03923	0.9
117.07030	7.8
119.08578	16.6
121.10143	38.4
123.08038	1.4
123.11710	16.1
125.09638	2.5
127.03915	7.4
131.08568	17.1
133.10127	15.6
135.08026	1.0
135.10663	1.3
135.11700	36.8
137.09558	2.1
137.13232	7.1
139.11148	1.1
145.04973	11.6
145.10109	13.9
145.60762	0.5
147.11691	12.0
149.09648	0.9
149.13252	24.8
151.11191	1.1
151.14774	1.4
153.12680	0.7
157.10091	0.9
159.11679	14.6
161.13254	13.3
163.06003	10.6
163.11145	0.8
163.14813	15.4
165.12698	1.2
173.13245	15.1
175.14798	5.8
177.12791	1.1
177.16283	5.9
179.14285	1.1
187.14877	9.4
191.14334	1.1
201.16431	2.7
205.15880	1.2
215.18030	0.7
219.17346	0.8
233.22656	0.9
243.21065	24.4
261.22125	66.8
263.23743	1.0
279.23074	4.0
335.25787	26.4
336.12283	0.9
353.26846	100.0
405.26334	1.0
423.27380	1.0
497.30951	12.7
515.94177	0.7
659.35815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.9
55.60576	3.4
67.05517	8.9
73.02913	26.1
79.05494	7.4
81.03421	8.6
81.07063	26.1
83.08618	6.4
87.04505	4.9
91.05479	7.1
93.07040	8.7
95.08612	19.2
97.02885	9.5
98.22223	3.8
99.04454	100.0
107.08566	4.4
109.10141	8.1
121.10188	5.5
123.11678	4.4
127.03866	5.0
133.10117	4.7
134.29248	4.0
164.25076	4.4
178.73224	3.7
181.15887	4.7
201.16518	5.0
217.59575	3.6
243.08551	5.7
245.04108	4.1
329.24231	4.4
371.25684	6.7
487.30469	16.3
505.31256	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31696	5.4
53.41513	6.0
55.05526	29.5
57.07080	17.7
57.46008	7.3
60.08545	6.6
62.42479	5.9
67.05511	59.1
69.07066	65.4
71.08633	16.4
79.05489	9.5
81.07069	98.4
83.08628	67.1
85.02982	7.9
85.13060	6.4
91.05476	29.7
93.07054	40.5
95.08614	76.3
97.06551	13.3
97.10177	47.4
105.07014	12.2
107.08593	32.4
109.10151	67.8
111.04424	12.3
111.08086	7.9
111.11757	11.8
119.08550	29.0
121.10139	33.1
123.11686	28.0
133.10129	32.1
135.11705	30.6
137.09636	9.3
147.11717	7.9
156.13818	12.2
161.13220	13.5
172.13307	10.9
181.12192	51.3
245.22603	32.2
263.23682	31.1
280.26349	100.0
298.27344	72.0
496.39737	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.8
73.31463	0.8
81.07053	1.8
167.87105	0.9
172.97232	0.9
199.06230	0.9
201.04256	1.0
201.88036	0.9
213.07983	2.0
225.07870	1.0
228.06461	0.9
229.07420	7.5
231.08940	1.9
237.08168	1.0
239.09511	1.2
241.11107	5.1
243.09024	1.7
247.08546	6.4
251.09576	6.1
255.09015	12.1
257.10675	1.0
259.09714	1.0
259.12167	8.6
269.10605	52.8
272.05811	2.2
273.10150	8.2
279.09082	3.7
280.09857	4.2
287.11661	22.3
292.09665	1.6
297.10156	5.5
298.10803	4.2
313.14548	1.1
315.11288	2.0
316.12158	1.4
320.09253	5.1
321.09784	6.3
322.07187	8.1
322.10532	1.9
323.07382	10.1
331.15756	20.0
334.10626	1.7
336.12296	13.2
337.12619	12.2
338.10431	1.4
349.16818	43.1
367.17923	94.4
385.18939	23.1
408.20651	1.3
470.33853	3.6
652.93927	1.1
695.27124	8.4
695.40295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09844	0.2
62.23666	0.2
70.06578	0.3
79.14860	0.3
85.02901	0.7
97.02901	0.3
147.04337	0.4
147.72183	0.3
162.05467	3.8
163.03767	0.4
165.05470	6.4
282.11215	1.1
295.08279	2.4
308.09045	0.6
310.07132	0.6
311.08154	0.4
326.10147	4.4
336.08618	0.7
339.07346	5.2
354.09686	100.0
372.10742	27.6
468.15662	0.3
534.16040	42.9
696.21143	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97601	0.3
69.03448	0.3
85.02901	1.3
86.09680	0.4
97.02883	0.4
126.10224	0.3
140.11121	0.3
147.04430	0.3
151.03804	0.3
159.07646	0.5
162.05554	2.4
165.05479	6.4
168.02362	0.3
221.58005	0.4
262.35425	0.4
267.09137	0.3
277.48645	0.3
282.11240	1.6
295.08224	3.0
296.06287	0.3
310.07303	0.6
318.16510	0.5
326.10159	4.6
339.07336	5.0
354.09686	100.0
372.10770	24.7
374.24731	0.4
534.16052	45.2
696.21405	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09844	0.2
62.23666	0.2
70.06578	0.3
79.14860	0.3
85.02901	0.7
97.02901	0.3
147.04337	0.4
147.72183	0.3
162.05467	3.8
163.03767	0.4
165.05470	6.4
282.11215	1.1
295.08279	2.4
308.09045	0.6
310.07132	0.6
311.08154	0.4
326.10147	4.4
336.08618	0.7
339.07346	5.2
354.09686	100.0
372.10742	27.6
468.15662	0.3
534.16040	42.9
696.21143	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48069	0.6
55.71306	0.6
58.06606	1.4
69.37334	0.5
83.07388	0.6
90.29028	0.6
94.22311	0.6
179.77617	0.7
281.10474	6.2
296.12881	1.3
310.10657	1.0
320.09195	2.8
322.10840	1.1
324.12393	1.4
334.10626	0.8
430.12875	1.1
430.77722	0.6
442.16437	1.3
443.13812	1.1
444.14490	9.7
445.15454	1.5
458.16241	17.0
459.16684	1.0
472.14096	3.3
473.14673	7.1
488.17047	47.5
490.14926	9.2
502.14850	3.9
504.12915	6.3
516.16339	1.0
518.14496	11.2
519.15192	14.4
534.17596	49.3
598.18500	1.2
650.22253	0.9
696.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41898	0.1
56.34657	0.1
56.95881	0.1
83.43567	0.1
97.13373	0.1
107.69688	0.1
149.58678	0.1
197.91064	0.1
264.10245	0.1
277.07040	0.1
290.07996	0.4
292.09668	2.8
296.13181	0.1
318.07550	0.7
319.08453	1.3
320.09161	100.0
322.10651	0.5
334.10693	3.1
335.11008	0.1
336.12170	0.6
337.12558	0.2
338.13318	0.2
447.27225	0.1
536.25134	0.1
539.68286	0.1
696.22864	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06875	0.2
53.21018	0.2
55.76391	0.2
56.05008	0.2
62.62074	0.2
70.00165	0.2
80.67989	0.2
84.59472	0.2
90.78579	0.2
111.47242	0.3
133.37360	0.2
145.61375	0.3
159.30110	0.2
202.03337	0.2
217.48697	0.3
223.33751	0.2
278.63641	0.3
290.08170	0.8
292.09570	3.0
307.08368	1.3
308.09088	0.4
310.89737	0.2
318.07629	1.3
319.08340	1.2
320.09164	100.0
321.09744	0.9
322.10657	4.8
334.10760	4.5
335.11307	0.4
336.12225	1.9
337.12369	1.7
338.13431	1.1
354.16068	0.3
696.24756	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
76.21714	0.5
96.34541	0.4
99.04368	0.4
99.39603	0.4
135.04272	0.5
137.57285	0.5
152.46935	0.5
192.56932	0.5
227.07841	0.5
246.81398	0.6
290.08148	5.8
302.07880	0.6
304.06012	5.8
315.11868	0.8
315.61798	0.8
318.07422	5.5
319.08401	38.5
320.09122	7.2
322.10532	2.7
332.04895	0.5
334.10724	100.0
336.12305	2.1
337.12973	1.0
337.63336	2.0
359.40146	0.5
374.13766	0.6
418.16589	3.1
565.50879	0.5
662.22644	0.6
678.25250	3.2
696.26508	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41967	0.2
50.80792	0.2
76.27568	0.3
82.94835	0.3
99.04372	1.5
111.33366	0.3
117.17332	0.3
173.05885	0.4
290.08127	5.5
302.08099	1.7
304.06018	5.0
307.08408	0.6
318.07626	6.5
319.08389	40.3
320.09180	19.8
321.09705	0.6
322.10648	2.5
334.10724	100.0
336.12216	1.2
385.12967	0.3
418.16623	1.8
472.13419	0.4
516.56714	0.3
648.24817	0.6
662.23029	0.4
678.25684	1.9
696.26428	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
76.21714	0.5
96.34541	0.4
99.04368	0.4
99.39603	0.4
135.04272	0.5
137.57285	0.5
152.46935	0.5
192.56932	0.5
227.07841	0.5
246.81398	0.6
290.08148	5.8
302.07880	0.6
304.06012	5.8
315.11868	0.8
315.61798	0.8
318.07422	5.5
319.08401	38.5
320.09122	7.2
322.10532	2.7
332.04895	0.5
334.10724	100.0
336.12305	2.1
337.12973	1.0
337.63336	2.0
359.40146	0.5
374.13766	0.6
418.16589	3.1
565.50879	0.5
662.22644	0.6
678.25250	3.2
696.26508	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27550	0.7
57.31892	0.9
91.05499	5.0
102.54564	1.0
105.03394	1.3
105.07044	1.0
109.06525	1.2
119.04925	17.6
131.04974	1.0
133.06578	1.2
137.06021	5.4
147.04478	3.4
149.05995	1.2
151.07524	6.7
159.08023	1.1
161.05997	1.5
179.07085	1.1
205.41084	0.9
207.06584	1.3
228.45712	0.9
237.49954	0.9
242.57478	0.9
247.56111	0.9
292.09799	4.4
304.09677	1.9
306.07980	1.0
306.11276	3.7
307.08511	1.7
307.12076	4.8
309.11185	1.2
317.09821	1.0
320.09174	11.1
321.09961	11.2
322.10709	29.8
323.11523	3.3
334.10577	3.5
336.12292	100.0
337.12994	36.2
338.13824	57.3
366.46860	1.0
367.18094	1.8
627.58197	1.0
632.22797	1.0
638.23865	1.6
650.23499	3.6
652.25574	4.2
666.23657	3.8
680.25250	5.0
696.28107	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.7
61.27563	0.6
66.88235	0.5
92.20921	0.8
94.56080	0.7
108.78158	0.7
206.09608	0.8
219.94318	0.7
239.18523	0.6
278.77075	0.6
294.11243	1.0
319.08517	3.5
320.09290	5.7
321.09799	1.4
322.10577	3.7
323.11624	0.9
334.10632	9.1
335.11191	2.9
336.12195	7.2
337.12769	0.8
338.13965	3.0
357.56735	0.7
440.15286	3.2
441.15900	1.2
454.16425	0.9
458.15829	5.9
459.16791	0.8
472.17673	4.1
473.18246	4.6
608.23755	0.8
620.22968	3.6
626.23608	0.8
629.07550	1.0
632.22552	1.4
634.24579	3.8
636.22620	4.2
638.23737	3.4
646.24457	5.1
648.22375	3.8
650.24268	0.9
652.25482	4.1
662.23602	4.7
664.25439	11.5
666.23291	11.7
680.24939	10.1
681.25726	1.5
696.28070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54910	0.7
57.16566	0.6
62.05688	0.6
70.61933	0.7
85.35893	0.7
108.62025	0.6
113.61543	0.6
181.08656	0.8
189.32130	0.6
292.09698	1.4
294.11276	1.0
296.09265	1.4
308.09256	1.4
318.07736	0.9
319.08395	3.0
320.09158	14.9
320.12646	0.9
321.09991	3.6
322.10474	4.6
323.11536	4.3
334.10672	7.1
335.11572	5.6
336.12177	11.6
337.12720	5.9
338.13437	4.3
350.13937	2.7
352.11859	1.2
436.78275	0.8
456.14499	1.2
458.15793	1.3
473.18604	1.1
474.15601	3.0
488.17166	6.7
496.17444	1.0
514.18677	0.8
528.20215	2.9
534.17267	1.0
604.23425	1.6
620.22589	3.5
632.22864	6.2
634.24347	3.8
635.22260	1.5
636.21857	1.3
638.24084	3.9
648.22333	3.1
650.23926	13.9
652.25690	2.7
662.23810	4.8
664.25763	3.8
666.23322	11.0
680.24927	11.1
681.25568	0.9
683.95795	0.8
696.28046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64375	0.6
94.43603	0.5
99.10178	0.5
142.31757	0.6
292.09784	1.3
293.10397	2.3
297.92621	0.6
306.07635	1.3
307.08514	1.2
308.08994	1.0
319.08420	1.2
320.09116	8.2
321.09692	8.2
322.10364	8.4
323.10837	4.6
334.10669	4.6
335.11423	1.0
336.12213	16.5
337.12582	13.7
338.13080	10.1
440.15198	2.4
441.15970	1.4
443.13388	1.2
455.17642	0.9
458.16296	6.3
459.16742	0.8
472.17673	3.4
473.18433	2.9
605.20581	0.8
608.22736	0.7
616.22961	1.0
620.22736	3.9
632.22583	3.1
634.23944	3.8
636.22833	3.4
638.23730	3.2
646.24786	3.6
648.22485	3.4
650.24078	2.5
652.25116	3.5
662.24103	3.1
664.25299	11.7
666.23291	9.3
680.24603	12.4
681.25305	2.0
696.28033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.28
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71954	1.1
68.97982	1.0
72.07037	1.0
119.86503	1.3
150.74698	1.1
179.37987	1.0
202.86967	1.2
203.85411	1.1
278.08194	2.6
292.09756	1.2
294.11160	1.3
306.07828	5.7
308.09229	2.5
315.84302	1.5
318.07828	1.6
319.08606	5.0
320.09155	24.1
320.12180	1.3
321.10126	2.3
322.10611	5.1
323.11255	3.0
334.10724	12.3
335.11380	13.5
336.12360	16.6
337.12823	7.8
338.13562	5.2
338.34628	1.2
456.14499	2.0
474.14984	1.6
488.17462	7.5
528.20282	5.0
620.23706	2.4
632.22717	7.3
634.24207	5.1
635.22040	1.5
638.23920	5.6
650.23578	15.3
652.25342	2.3
662.23914	4.8
666.22943	8.9
680.25000	11.9
696.28192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43222	0.5
53.53384	0.5
56.48930	0.5
75.76192	0.7
121.65298	0.6
206.21210	0.7
290.08041	0.9
294.11133	0.7
306.07840	0.8
308.09155	1.0
319.08505	1.2
320.09073	9.9
321.09509	6.8
322.10367	5.0
323.11322	1.1
334.10873	4.2
335.11450	4.2
336.12250	25.9
337.12582	28.7
338.12982	19.2
371.08896	0.7
444.14651	1.4
456.14822	3.1
457.18622	1.2
470.16138	0.8
473.14832	0.8
474.15869	3.7
488.17233	3.5
496.17697	3.2
514.18823	2.5
528.20313	4.0
616.22540	0.8
618.24658	0.8
620.23053	2.6
634.24109	3.5
636.22571	3.0
638.23749	2.9
646.24249	2.8
648.21722	1.4
650.24030	1.1
652.25653	3.6
662.23700	4.8
664.25372	11.5
666.23315	13.6
666.33630	0.9
680.24921	10.4
681.25763	1.5
696.28040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.28
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71954	1.1
68.97982	1.0
72.07037	1.0
119.86503	1.3
150.74698	1.1
179.37987	1.0
202.86967	1.2
203.85411	1.1
278.08194	2.6
292.09756	1.2
294.11160	1.3
306.07828	5.7
308.09229	2.5
315.84302	1.5
318.07828	1.6
319.08606	5.0
320.09155	24.1
320.12180	1.3
321.10126	2.3
322.10611	5.1
323.11255	3.0
334.10724	12.3
335.11380	13.5
336.12360	16.6
337.12823	7.8
338.13562	5.2
338.34628	1.2
456.14499	2.0
474.14984	1.6
488.17462	7.5
528.20282	5.0
620.23706	2.4
632.22717	7.3
634.24207	5.1
635.22040	1.5
638.23920	5.6
650.23578	15.3
652.25342	2.3
662.23914	4.8
666.22943	8.9
680.25000	11.9
696.28192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	44.8
70.89601	1.0
95.08613	1.2
97.41879	1.1
145.09953	1.2
151.07515	14.1
161.05951	2.1
175.07533	1.6
177.05559	1.1
187.07608	1.5
209.09502	1.8
209.73300	1.3
249.09103	2.2
277.08609	19.8
294.08859	20.3
305.43378	1.2
309.11172	50.3
311.12729	5.1
316.14102	1.2
318.07611	1.8
319.08374	2.4
320.09293	8.8
322.10745	1.7
324.12216	1.4
334.10733	11.2
336.12158	9.7
630.17004	1.3
662.21625	2.1
664.24622	2.0
680.23950	2.3
696.32111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78844	0.6
58.06609	41.0
73.28596	0.8
93.43708	0.7
102.04648	0.7
105.07040	2.9
105.07729	0.9
126.15267	0.8
133.06482	1.2
135.66467	0.9
136.05232	1.7
137.05959	1.0
141.57137	0.9
151.07558	15.4
159.08041	0.9
161.05962	4.9
175.07538	4.2
181.08638	8.9
187.07559	3.0
190.06180	1.5
199.07481	5.7
205.08617	6.5
219.07813	0.9
229.10130	4.3
243.08046	4.1
247.11191	1.4
257.09601	9.0
260.08374	8.9
261.09241	1.1
265.12305	1.4
271.07535	4.2
273.09064	1.8
275.10641	30.0
285.09009	4.9
288.07690	11.7
291.10165	1.0
294.11475	1.2
302.09116	0.8
303.10144	43.2
304.10889	3.2
305.08539	0.9
305.11697	5.5
306.07581	1.1
306.12457	1.0
317.11591	1.4
318.07730	1.4
319.08374	6.2
320.09259	6.1
321.11536	6.3
322.10779	3.6
325.71411	0.8
334.10742	12.0
335.12488	4.1
336.13208	11.0
367.15411	17.5
427.17654	3.2
650.23956	1.9
651.25433	1.2
652.25226	1.5
666.23187	3.5
680.24750	1.8
696.31903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63628	0.6
55.16300	0.7
57.13033	0.7
58.06608	39.7
62.25770	0.7
65.66014	0.7
70.94938	0.8
99.04450	0.9
126.65326	0.8
133.06511	1.5
145.02887	1.3
151.07538	17.5
157.94553	0.9
161.06053	4.6
168.56522	0.9
175.07538	3.0
177.05452	6.3
187.07698	3.4
192.47112	0.9
229.10242	3.5
243.08188	4.3
245.09761	1.3
247.11237	0.8
257.09604	8.6
260.08347	9.1
265.12485	1.1
271.07495	6.1
273.09097	1.8
275.10660	31.5
285.09140	3.1
288.07819	11.6
302.09399	1.0
303.10147	46.9
304.11111	1.2
318.07892	1.1
319.08353	3.0
320.09027	5.7
321.09897	1.2
334.07166	1.6
334.10910	7.7
336.08514	1.7
336.12228	18.2
338.14197	1.6
349.09601	1.1
442.65347	1.0
696.31860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22197	2.4
54.20999	2.6
55.05511	7.0
57.03435	5.8
57.07082	6.8
61.02921	22.4
61.95795	3.0
67.05505	52.3
69.07071	21.2
71.04978	3.3
71.08643	7.1
73.02926	5.9
74.34209	3.0
79.05503	12.5
81.07060	82.6
83.08619	22.0
85.02901	38.2
91.03966	30.3
91.05463	5.4
91.88403	3.1
93.07043	19.4
95.08606	76.0
97.02889	20.3
97.10177	15.8
98.57781	3.0
99.08147	3.7
105.07043	6.1
107.08580	12.1
109.10146	53.2
111.08109	3.1
111.11662	3.5
113.09594	3.8
117.72364	3.0
119.08572	14.0
121.10135	26.1
123.11685	23.7
127.03929	5.3
133.10138	20.1
135.11676	16.6
137.13228	6.8
141.12605	3.6
141.32043	3.2
145.04944	14.8
147.11697	14.8
149.13226	7.1
151.14816	6.2
161.13251	17.8
163.05998	19.9
163.14783	12.9
175.14810	19.5
189.16333	5.7
219.59723	3.5
245.22620	54.1
263.23666	100.0
281.24750	4.6
337.27368	48.2
355.28406	72.8
372.30948	5.7
438.02356	3.4
540.12677	3.8
594.17822	3.6
696.41571	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	14.7
57.03444	8.4
57.05858	0.7
57.07085	11.0
61.02935	26.2
61.03248	1.2
65.03955	0.9
67.05511	55.4
69.03436	1.8
69.07076	27.8
71.05000	1.6
71.08630	8.7
73.02917	8.8
75.04483	0.8
79.05497	14.9
81.03454	1.0
81.07063	92.7
83.04995	1.7
83.08629	26.2
85.02912	37.5
85.06555	4.1
85.10184	3.7
91.03955	36.2
91.05474	9.8
93.07047	25.5
95.05000	1.0
95.08610	90.2
97.02898	16.5
97.06535	8.7
97.10173	16.7
99.04455	2.9
99.08083	6.1
105.07047	8.4
107.08590	24.1
107.09264	1.5
109.10162	54.0
111.08105	4.5
111.11700	5.9
113.09622	1.8
115.03963	1.5
119.08581	13.6
121.10145	30.6
123.08068	1.0
123.11708	33.5
125.09624	3.5
125.13230	1.0
127.03932	8.1
127.11196	1.1
133.10127	26.2
135.11714	17.1
137.09650	1.4
137.13271	13.6
139.11137	1.0
140.72395	0.9
141.12764	1.5
145.04956	13.2
147.11694	17.1
149.13261	17.1
151.11212	1.1
151.14819	8.9
153.12640	0.9
155.14288	1.4
161.13252	21.5
163.06010	14.9
163.14819	16.2
163.25179	0.9
165.12758	1.4
165.16431	8.3
171.62959	0.8
175.14825	15.5
177.16373	3.7
179.14264	1.9
179.17921	5.2
180.08682	0.9
181.15916	1.2
189.16417	6.6
193.15962	0.9
203.17963	3.3
207.17360	0.8
219.21182	1.2
245.22627	52.7
263.23685	100.0
265.24997	1.0
281.24750	5.0
320.09302	1.6
325.11288	1.0
337.27356	69.2
355.28418	70.3
362.39880	0.8
364.08325	1.3
365.08444	1.6
407.28116	1.0
438.10394	0.8
499.32767	12.6
577.12158	0.8
603.38672	0.9
661.37628	1.8
696.33893	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86829	4.4
53.26252	4.2
57.03432	5.7
57.07072	8.4
61.02934	54.5
67.05509	45.5
69.03412	4.7
69.07059	18.4
71.08634	6.4
73.02909	11.7
74.17973	5.0
77.11275	4.6
79.05500	11.8
81.07063	88.5
83.08633	19.5
85.02911	69.1
91.03954	67.5
93.07050	11.7
95.08606	54.7
97.02900	39.2
97.10191	7.6
105.07028	7.2
107.08614	7.5
109.10159	37.1
119.08599	16.9
121.10141	26.5
123.11691	24.1
123.66531	4.4
127.03907	23.3
133.10181	26.6
135.11653	11.0
145.04973	24.7
147.11670	8.8
149.13275	6.7
161.13297	21.0
163.06000	36.7
163.14783	5.3
175.14796	5.8
245.22649	43.3
263.23721	100.0
325.11359	8.0
337.27438	45.7
355.28455	49.4
423.85083	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31788	0.6
57.77133	0.6
66.18790	0.6
77.61670	0.6
86.98021	0.7
91.17057	0.6
91.95911	0.7
137.37921	0.7
174.05540	0.8
190.04985	0.9
194.28198	0.8
238.01901	0.7
290.04465	6.6
318.04007	5.2
334.07449	1.1
336.05029	1.2
396.08215	0.8
436.07874	1.1
466.09363	1.4
482.12259	7.7
494.08856	1.4
504.13599	0.9
510.11774	0.9
596.12616	1.1
606.11353	0.8
611.14478	1.7
621.12970	2.7
623.12390	3.2
624.12036	5.0
638.13135	2.8
639.14020	11.7
652.10651	2.3
653.15265	1.4
667.13513	19.6
682.14874	6.4
684.90216	0.9
697.18066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71791	0.9
58.06615	1.1
72.99786	0.8
76.28136	1.0
81.71420	1.0
137.05940	1.6
190.05025	1.2
306.07782	1.8
307.08279	1.4
319.08463	1.9
320.09201	2.0
321.09583	1.4
322.10468	1.0
334.07269	3.6
334.10794	7.9
335.07394	4.4
335.11218	2.1
336.12228	1.3
349.03461	1.1
350.09833	4.0
370.55716	1.6
565.93939	1.1
580.12903	9.3
593.12805	1.9
594.14355	6.4
595.14795	1.5
605.13477	5.8
608.12115	16.1
621.12653	1.9
622.13953	5.9
623.14526	65.4
637.16119	7.0
638.16827	31.0
697.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33260	0.6
53.25853	0.6
57.34688	0.6
58.06603	15.3
59.06926	0.8
61.42217	0.8
69.76418	0.8
105.07000	1.2
108.94422	0.7
115.05422	1.1
133.06450	4.2
136.05186	10.8
137.05930	1.2
150.69656	0.8
151.07536	62.1
160.05179	18.2
161.05969	7.9
167.04861	0.9
171.07813	1.1
175.07527	57.2
184.05098	0.8
187.07410	0.8
188.80684	0.8
199.07539	22.9
245.09566	1.8
246.10239	3.9
261.09024	1.3
262.09943	2.9
263.10614	1.2
271.07697	0.8
273.08884	1.6
274.09985	7.6
275.10495	5.1
275.75873	1.0
277.08612	1.8
277.12125	7.3
278.08862	3.9
278.12604	1.6
290.09052	3.8
291.10162	8.6
294.08640	3.4
294.12021	1.1
295.09085	1.7
299.07370	8.2
305.11737	14.6
306.12466	25.7
307.09393	1.4
308.09604	1.0
309.11023	13.0
309.14648	3.5
310.11633	9.2
318.07693	1.2
319.08185	5.8
320.09045	2.0
322.11633	5.2
325.20892	1.2
334.07068	1.3
334.10663	10.8
335.07208	1.0
335.10883	1.3
336.12106	1.5
337.14359	11.2
421.15860	4.3
503.16745	0.9
646.30151	1.0
697.23663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55130	0.5
58.06320	1.6
58.06609	35.6
58.08141	0.7
129.36420	0.7
143.97137	0.8
180.93509	0.7
212.84032	0.7
237.08954	4.9
265.08578	37.5
279.10312	0.8
282.08868	7.9
284.10272	1.5
297.11197	47.0
299.12762	5.8
311.12766	1.1
341.12451	1.2
342.16992	100.0
356.14835	1.6
433.77072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55130	0.5
58.06320	1.6
58.06609	35.6
58.08141	0.7
129.36420	0.7
143.97137	0.8
180.93509	0.7
212.84032	0.7
237.08954	4.9
265.08578	37.5
279.10312	0.8
282.08868	7.9
284.10272	1.5
297.11197	47.0
299.12762	5.8
311.12766	1.1
341.12451	1.2
342.16992	100.0
356.14835	1.6
433.77072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87835	0.8
51.47874	0.7
54.14061	0.8
55.78946	0.8
57.14479	0.9
58.06609	100.0
62.02757	0.9
62.43280	0.9
69.03426	0.9
85.02901	2.0
88.07657	8.8
100.06086	1.0
177.05525	1.2
205.06497	5.4
211.07512	1.7
219.04430	1.3
221.05983	1.3
235.07565	1.9
237.05492	1.3
237.09087	2.4
239.07091	4.2
246.09126	1.0
250.06265	2.0
251.06993	3.9
261.05515	5.1
263.07040	11.8
263.09418	1.9
264.07706	1.5
264.10291	1.4
265.08615	5.9
267.06464	16.6
269.08121	1.1
275.06766	1.4
278.11636	1.6
279.06479	4.5
281.10522	1.6
291.08942	2.1
292.09576	2.2
293.07910	7.1
294.11224	2.1
295.12036	1.4
296.12790	23.5
305.03162	1.2
306.11218	7.6
307.12024	14.5
308.09543	1.1
308.12915	1.8
323.11591	8.3
324.12250	11.7
338.13855	25.4
356.15009	9.5
468.16562	2.1
486.17572	12.9
518.20471	1.1
639.48822	1.3
698.26678	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87835	0.8
51.47874	0.7
54.14061	0.8
55.78946	0.8
57.14479	0.9
58.06609	100.0
62.02757	0.9
62.43280	0.9
69.03426	0.9
85.02901	2.0
88.07657	8.8
100.06086	1.0
177.05525	1.2
205.06497	5.4
211.07512	1.7
219.04430	1.3
221.05983	1.3
235.07565	1.9
237.05492	1.3
237.09087	2.4
239.07091	4.2
246.09126	1.0
250.06265	2.0
251.06993	3.9
261.05515	5.1
263.07040	11.8
263.09418	1.9
264.07706	1.5
264.10291	1.4
265.08615	5.9
267.06464	16.6
269.08121	1.1
275.06766	1.4
278.11636	1.6
279.06479	4.5
281.10522	1.6
291.08942	2.1
292.09576	2.2
293.07910	7.1
294.11224	2.1
295.12036	1.4
296.12790	23.5
305.03162	1.2
306.11218	7.6
307.12024	14.5
308.09543	1.1
308.12915	1.8
323.11591	8.3
324.12250	11.7
338.13855	25.4
356.15009	9.5
468.16562	2.1
486.17572	12.9
518.20471	1.1
639.48822	1.3
698.26678	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15759	0.2
52.24122	0.2
52.61106	0.2
54.03029	0.2
54.67545	0.2
57.29405	0.2
107.66251	0.2
145.02733	0.4
169.85280	0.2
177.05467	0.4
209.00645	0.2
292.09784	3.1
303.09677	0.3
306.07455	0.6
308.12814	0.5
320.09146	8.1
321.09943	9.8
322.09818	0.4
324.08810	0.3
334.10757	1.0
336.12289	100.0
337.13248	0.3
418.02505	0.3
485.68967	0.3
486.15851	0.3
487.16586	0.3
502.18799	0.3
520.27100	0.3
554.36951	0.3
698.28009	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42598	0.2
62.18695	0.2
66.03059	0.3
81.03358	0.3
81.07018	0.2
99.04420	0.2
103.20415	0.2
107.04903	1.2
107.08519	0.4
135.04326	0.3
137.05936	0.3
145.02718	0.3
175.03833	0.3
177.05386	0.8
207.06473	0.3
269.11755	0.5
283.04483	0.3
292.09662	7.2
304.09579	1.1
306.07651	1.7
320.09155	9.4
321.09943	28.0
334.10712	0.5
336.12289	100.0
458.00342	0.3
698.28058	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62632	0.4
55.22433	0.4
66.00050	0.5
70.15426	0.5
75.92573	0.6
82.35205	0.5
83.61785	0.6
84.41986	0.5
99.04422	0.7
137.02353	0.5
162.28233	0.6
181.90811	0.6
205.24312	0.6
292.09622	4.7
306.07721	2.2
320.09177	9.2
321.09921	19.1
321.13364	0.8
328.63699	0.6
334.10764	1.8
335.11005	0.8
336.12292	100.0
344.78214	0.6
364.55026	0.6
486.16116	0.8
498.11905	2.2
499.12976	0.9
698.19019	3.1
698.28326	37.3
729.92822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44272	0.5
59.14444	0.7
67.19191	0.7
82.97042	0.7
114.93444	0.8
131.57069	0.8
189.94034	0.8
199.52620	0.8
292.09775	8.6
306.07901	1.5
319.08337	0.7
320.09164	12.6
321.09970	30.0
334.11127	0.9
336.12289	100.0
576.06970	0.9
698.28217	44.6
714.11572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29191	0.4
63.82103	0.4
66.87869	0.3
133.59306	0.4
136.72751	0.4
141.62537	0.4
184.64291	0.4
292.09610	4.0
306.07755	0.8
320.09131	8.4
321.09912	15.2
334.10727	0.5
336.12280	100.0
359.05356	0.4
486.15323	0.4
636.36591	0.5
698.28192	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24781	0.7
58.06607	38.8
80.37926	1.0
80.72854	1.0
97.36766	0.8
119.04929	1.7
129.39334	0.8
133.02870	1.2
137.05956	1.7
179.84740	0.9
223.07448	1.5
265.08572	4.2
277.08661	1.3
279.06561	6.9
280.10880	4.5
290.08099	1.4
291.06952	0.9
291.10107	5.0
292.07291	25.8
294.11432	8.3
307.09613	13.9
318.07486	1.7
319.08392	9.8
320.08850	3.9
322.10953	1.1
334.10773	13.9
335.11111	3.3
336.12140	4.4
338.13483	1.3
352.15768	1.5
410.11493	1.0
413.13937	1.3
427.15085	1.3
445.16483	31.8
459.18259	1.1
463.22034	1.1
463.32529	1.0
473.15970	19.6
474.16470	1.8
514.18719	1.4
518.21692	3.2
668.28589	1.3
698.29785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57103	0.4
58.06609	22.6
59.51335	0.4
91.05492	1.0
107.28212	0.5
119.04971	3.5
137.05960	7.2
147.04443	1.2
147.76086	0.5
151.07574	2.2
161.05980	0.6
163.07608	0.7
211.64490	0.7
235.07700	2.4
238.06288	1.0
252.07942	2.5
253.08646	0.8
262.06332	0.6
263.07059	5.7
265.08698	0.8
267.10245	1.0
277.08664	1.0
280.07278	0.9
281.08081	52.4
290.08493	0.9
294.11340	1.3
295.09753	2.7
296.10425	63.0
296.70917	0.6
298.12024	0.8
307.08438	0.9
308.09351	1.0
309.10165	1.0
309.13681	1.0
319.08484	3.0
320.09189	3.7
321.09787	0.8
322.10672	2.7
323.11438	5.7
324.12292	12.9
325.13019	1.2
334.10767	7.5
336.12439	3.1
338.13855	28.3
339.14560	10.3
340.15341	17.0
601.14429	0.7
652.25403	0.9
684.63232	0.8
698.29633	100.0
719.09839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	25.8
58.49444	0.9
73.34389	0.7
119.05001	1.5
125.46902	0.8
137.06013	7.3
138.56253	1.0
147.04404	1.0
161.06035	1.0
172.46449	0.8
207.08081	1.1
235.07581	1.5
252.07962	4.3
263.07089	6.2
264.07874	1.1
266.05771	1.2
267.10327	1.7
281.08075	60.1
283.09799	1.0
295.09711	1.0
296.10428	72.5
298.24237	0.9
308.09314	2.0
319.08530	3.8
320.09290	4.3
322.10791	3.2
323.11368	6.2
324.12195	8.8
334.10675	8.7
335.11160	1.2
336.12494	4.6
338.13925	18.5
338.17435	1.3
339.14536	6.5
340.15433	11.7
359.43628	1.1
367.79123	1.0
401.14447	1.4
534.21716	1.0
559.87250	0.9
698.29736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76395	1.8
58.06602	11.2
72.90459	1.5
74.54676	1.5
105.03379	1.7
117.43549	1.8
119.04950	3.9
135.15660	2.0
137.05965	13.0
145.35168	1.7
151.07538	2.9
161.05960	7.7
165.09169	2.0
175.07578	6.6
181.08604	8.1
187.07503	3.1
189.09306	2.2
209.06036	1.8
235.07324	1.7
245.83922	1.6
281.08109	7.9
294.11227	4.1
296.10303	4.0
308.09204	3.9
309.10233	1.6
317.90955	1.7
319.08414	8.5
320.09161	7.1
322.10773	7.6
323.11386	7.6
324.12238	12.5
334.10736	11.2
335.10873	1.8
336.12415	3.7
337.12833	1.7
338.13870	30.0
339.14413	13.2
340.15408	13.2
355.15344	3.0
486.18643	7.9
498.18845	7.3
504.20084	7.6
516.19977	9.9
652.24304	1.9
680.27777	3.4
698.30115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	25.8
58.49444	0.9
73.34389	0.7
119.05001	1.5
125.46902	0.8
137.06013	7.3
138.56253	1.0
147.04404	1.0
161.06035	1.0
172.46449	0.8
207.08081	1.1
235.07581	1.5
252.07962	4.3
263.07089	6.2
264.07874	1.1
266.05771	1.2
267.10327	1.7
281.08075	60.1
283.09799	1.0
295.09711	1.0
296.10428	72.5
298.24237	0.9
308.09314	2.0
319.08530	3.8
320.09290	4.3
322.10791	3.2
323.11368	6.2
324.12195	8.8
334.10675	8.7
335.11160	1.2
336.12494	4.6
338.13925	18.5
338.17435	1.3
339.14536	6.5
340.15433	11.7
359.43628	1.1
367.79123	1.0
401.14447	1.4
534.21716	1.0
559.87250	0.9
698.29736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	38.9
63.80509	0.6
64.92708	0.6
68.56492	0.6
72.13553	0.6
72.75249	0.6
81.28864	0.7
81.40489	0.6
91.05417	0.8
119.04967	1.0
133.02890	1.0
137.06004	2.8
138.98914	0.7
147.04449	0.8
181.63770	0.8
210.26196	0.8
236.08479	0.9
243.69493	0.8
247.20827	0.7
251.07133	1.3
251.10732	1.4
263.06915	0.9
265.08734	4.5
266.09296	0.9
277.04855	0.9
279.06564	8.0
280.11163	3.8
283.23819	0.7
291.10223	4.4
292.07254	24.7
294.08932	3.7
294.11667	1.7
296.10629	1.8
304.06094	1.0
306.09027	3.6
307.09579	13.0
318.08081	1.1
319.08371	5.4
320.09317	4.9
334.10699	12.3
335.11142	1.4
336.12378	3.0
363.97299	0.9
409.10727	0.9
415.11752	0.9
427.15494	1.6
441.13116	1.1
443.14832	1.0
445.16412	26.4
445.21945	1.3
473.15787	15.8
516.20709	2.9
518.22131	1.6
638.08154	1.0
649.89789	0.8
698.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	38.9
63.80509	0.6
64.92708	0.6
68.56492	0.6
72.13553	0.6
72.75249	0.6
81.28864	0.7
81.40489	0.6
91.05417	0.8
119.04967	1.0
133.02890	1.0
137.06004	2.8
138.98914	0.7
147.04449	0.8
181.63770	0.8
210.26196	0.8
236.08479	0.9
243.69493	0.8
247.20827	0.7
251.07133	1.3
251.10732	1.4
263.06915	0.9
265.08734	4.5
266.09296	0.9
277.04855	0.9
279.06564	8.0
280.11163	3.8
283.23819	0.7
291.10223	4.4
292.07254	24.7
294.08932	3.7
294.11667	1.7
296.10629	1.8
304.06094	1.0
306.09027	3.6
307.09579	13.0
318.08081	1.1
319.08371	5.4
320.09317	4.9
334.10699	12.3
335.11142	1.4
336.12378	3.0
363.97299	0.9
409.10727	0.9
415.11752	0.9
427.15494	1.6
441.13116	1.1
443.14832	1.0
445.16412	26.4
445.21945	1.3
473.15787	15.8
516.20709	2.9
518.22131	1.6
638.08154	1.0
649.89789	0.8
698.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	38.9
63.80509	0.6
64.92708	0.6
68.56492	0.6
72.13553	0.6
72.75249	0.6
81.28864	0.7
81.40489	0.6
91.05417	0.8
119.04967	1.0
133.02890	1.0
137.06004	2.8
138.98914	0.7
147.04449	0.8
181.63770	0.8
210.26196	0.8
236.08479	0.9
243.69493	0.8
247.20827	0.7
251.07133	1.3
251.10732	1.4
263.06915	0.9
265.08734	4.5
266.09296	0.9
277.04855	0.9
279.06564	8.0
280.11163	3.8
283.23819	0.7
291.10223	4.4
292.07254	24.7
294.08932	3.7
294.11667	1.7
296.10629	1.8
304.06094	1.0
306.09027	3.6
307.09579	13.0
318.08081	1.1
319.08371	5.4
320.09317	4.9
334.10699	12.3
335.11142	1.4
336.12378	3.0
363.97299	0.9
409.10727	0.9
415.11752	0.9
427.15494	1.6
441.13116	1.1
443.14832	1.0
445.16412	26.4
445.21945	1.3
473.15787	15.8
516.20709	2.9
518.22131	1.6
638.08154	1.0
649.89789	0.8
698.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76395	1.8
58.06602	11.2
72.90459	1.5
74.54676	1.5
105.03379	1.7
117.43549	1.8
119.04950	3.9
135.15660	2.0
137.05965	13.0
145.35168	1.7
151.07538	2.9
161.05960	7.7
165.09169	2.0
175.07578	6.6
181.08604	8.1
187.07503	3.1
189.09306	2.2
209.06036	1.8
235.07324	1.7
245.83922	1.6
281.08109	7.9
294.11227	4.1
296.10303	4.0
308.09204	3.9
309.10233	1.6
317.90955	1.7
319.08414	8.5
320.09161	7.1
322.10773	7.6
323.11386	7.6
324.12238	12.5
334.10736	11.2
335.10873	1.8
336.12415	3.7
337.12833	1.7
338.13870	30.0
339.14413	13.2
340.15408	13.2
355.15344	3.0
486.18643	7.9
498.18845	7.3
504.20084	7.6
516.19977	9.9
652.24304	1.9
680.27777	3.4
698.30115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17580	1.0
63.77725	1.0
74.35789	1.0
84.83793	1.0
92.21580	1.0
92.22391	1.0
201.67595	1.1
221.56314	1.1
259.50653	1.1
292.09845	1.9
301.72299	1.2
320.09180	100.0
332.32648	1.2
435.88397	1.1
519.84436	1.1
520.72968	1.1
698.36578	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
58.06607	18.6
67.05511	1.7
69.03427	1.7
71.05010	1.4
73.48070	1.3
81.07063	11.3
81.44927	1.4
83.08620	2.9
85.02885	6.4
91.05467	2.7
93.07056	9.9
95.04946	1.4
95.08598	25.2
97.02892	3.2
99.08070	9.5
105.07035	14.0
107.08591	24.6
109.10145	22.6
111.08082	2.2
119.08580	40.0
121.10133	21.3
123.08053	2.9
123.11668	5.3
131.08565	20.9
133.10144	21.6
135.08109	2.9
135.11684	17.6
137.09615	3.1
143.08589	3.1
145.10136	26.5
147.11696	26.1
149.09703	1.6
149.13293	8.5
151.11201	2.3
157.10117	7.1
159.11659	17.5
160.23752	1.4
161.09595	3.0
161.13249	21.8
163.07480	1.5
163.11169	2.7
163.14801	11.2
169.10083	1.9
171.11621	12.4
173.13249	34.7
175.14819	37.6
177.09111	1.5
177.12704	6.4
177.16379	8.9
179.14276	2.5
183.08180	1.7
183.11676	8.1
185.13268	27.5
187.14804	61.6
189.09161	1.7
189.12729	3.1
189.16336	9.7
191.14346	14.5
193.15881	1.6
197.13185	5.2
199.14822	39.0
201.16385	41.9
203.14323	25.0
205.15869	9.9
209.13266	1.7
211.14836	11.0
213.16385	28.2
215.14317	5.9
215.17950	2.9
217.15831	6.0
219.13747	3.2
219.17416	2.0
221.15274	1.7
223.14769	1.9
223.16826	2.0
225.16275	3.0
227.17964	2.9
229.15854	5.2
231.13873	2.0
231.17453	5.6
233.15253	3.1
237.16452	2.6
239.17918	3.2
241.15752	1.9
241.19518	5.7
245.15344	12.4
249.14778	13.6
251.17912	1.6
253.19513	6.5
259.16919	17.3
265.08722	2.0
267.21109	12.3
273.18387	2.2
292.07306	10.0
299.20117	1.5
304.06061	1.5
306.08746	1.6
307.09503	3.4
307.23999	10.6
309.10095	1.5
315.14670	1.5
319.08286	8.4
320.09106	8.1
323.11380	1.9
323.23691	1.5
324.12170	6.0
334.10815	17.1
335.11349	2.2
336.04712	1.4
336.12167	16.3
353.24625	6.1
363.26920	2.7
373.28665	2.0
375.30737	1.6
391.29868	24.6
393.31268	5.7
409.30960	14.7
419.29285	15.2
437.30524	36.8
445.16397	8.9
455.31546	100.0
465.29782	6.2
471.72845	1.7
473.15692	6.5
473.26483	2.7
473.32602	50.0
483.31042	22.1
501.32068	69.3
513.75623	1.8
519.33167	41.7
635.38031	15.7
663.37311	6.0
698.29993	43.8
698.40472	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
58.06607	18.6
67.05511	1.7
69.03427	1.7
71.05010	1.4
73.48070	1.3
81.07063	11.3
81.44927	1.4
83.08620	2.9
85.02885	6.4
91.05467	2.7
93.07056	9.9
95.04946	1.4
95.08598	25.2
97.02892	3.2
99.08070	9.5
105.07035	14.0
107.08591	24.6
109.10145	22.6
111.08082	2.2
119.08580	40.0
121.10133	21.3
123.08053	2.9
123.11668	5.3
131.08565	20.9
133.10144	21.6
135.08109	2.9
135.11684	17.6
137.09615	3.1
143.08589	3.1
145.10136	26.5
147.11696	26.1
149.09703	1.6
149.13293	8.5
151.11201	2.3
157.10117	7.1
159.11659	17.5
160.23752	1.4
161.09595	3.0
161.13249	21.8
163.07480	1.5
163.11169	2.7
163.14801	11.2
169.10083	1.9
171.11621	12.4
173.13249	34.7
175.14819	37.6
177.09111	1.5
177.12704	6.4
177.16379	8.9
179.14276	2.5
183.08180	1.7
183.11676	8.1
185.13268	27.5
187.14804	61.6
189.09161	1.7
189.12729	3.1
189.16336	9.7
191.14346	14.5
193.15881	1.6
197.13185	5.2
199.14822	39.0
201.16385	41.9
203.14323	25.0
205.15869	9.9
209.13266	1.7
211.14836	11.0
213.16385	28.2
215.14317	5.9
215.17950	2.9
217.15831	6.0
219.13747	3.2
219.17416	2.0
221.15274	1.7
223.14769	1.9
223.16826	2.0
225.16275	3.0
227.17964	2.9
229.15854	5.2
231.13873	2.0
231.17453	5.6
233.15253	3.1
237.16452	2.6
239.17918	3.2
241.15752	1.9
241.19518	5.7
245.15344	12.4
249.14778	13.6
251.17912	1.6
253.19513	6.5
259.16919	17.3
265.08722	2.0
267.21109	12.3
273.18387	2.2
292.07306	10.0
299.20117	1.5
304.06061	1.5
306.08746	1.6
307.09503	3.4
307.23999	10.6
309.10095	1.5
315.14670	1.5
319.08286	8.4
320.09106	8.1
323.11380	1.9
323.23691	1.5
324.12170	6.0
334.10815	17.1
335.11349	2.2
336.04712	1.4
336.12167	16.3
353.24625	6.1
363.26920	2.7
373.28665	2.0
375.30737	1.6
391.29868	24.6
393.31268	5.7
409.30960	14.7
419.29285	15.2
437.30524	36.8
445.16397	8.9
455.31546	100.0
465.29782	6.2
471.72845	1.7
473.15692	6.5
473.26483	2.7
473.32602	50.0
483.31042	22.1
501.32068	69.3
513.75623	1.8
519.33167	41.7
635.38031	15.7
663.37311	6.0
698.29993	43.8
698.40472	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
57.03435	16.0
57.07073	5.0
61.02927	17.9
67.05505	17.5
68.79679	3.7
69.03422	8.3
69.07068	18.6
73.02922	3.6
81.03425	14.6
81.07063	20.0
83.08627	21.9
85.02905	100.0
85.10149	3.8
91.03970	34.9
93.05539	19.7
93.06996	4.6
95.08606	24.4
97.02901	36.0
97.10161	8.7
101.63226	4.2
107.08591	5.0
109.02894	16.8
109.10173	14.5
121.10143	22.7
122.62322	4.0
127.03909	17.6
133.10159	5.6
135.11678	18.2
145.04939	17.2
149.13300	4.1
163.06029	19.6
247.24419	4.5
250.14429	4.4
255.10724	8.3
265.25027	7.7
317.35529	4.6
320.09256	16.2
321.09503	5.0
336.12442	4.8
339.29117	4.2
356.74820	4.2
357.29816	13.5
391.28387	16.1
409.29309	21.5
427.30533	65.2
673.06104	3.9
717.76410	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.9
57.03442	6.9
57.07079	20.6
59.44901	1.4
61.02922	17.4
61.61473	1.5
67.05508	19.0
69.07070	36.3
71.04960	3.1
71.08630	12.7
73.02914	7.3
79.05493	3.4
80.07777	1.5
81.07056	38.9
81.07499	2.9
83.08617	31.9
85.02898	26.9
85.10188	8.0
91.03957	25.5
93.07024	12.0
95.08602	50.6
95.38441	1.8
97.02878	13.9
97.06532	4.0
97.10162	27.3
104.39238	1.6
107.08602	12.6
109.10152	26.5
111.08067	4.2
111.11707	11.8
121.10136	29.6
123.11713	13.2
125.09628	2.9
127.03940	3.4
135.11710	25.4
137.13231	2.9
145.04973	8.9
149.13261	16.0
151.14827	3.7
163.05989	12.6
163.14816	7.3
165.16348	2.4
177.16339	2.0
214.50836	1.9
247.24164	17.0
265.25223	31.7
274.27432	3.1
283.26288	7.8
313.27325	13.1
319.08453	2.2
331.28391	21.0
334.10648	11.1
339.28915	63.8
357.29959	100.0
389.72238	2.0
501.33954	9.1
698.36298	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70953	1.6
55.05513	9.0
57.07073	10.4
59.17520	1.4
61.02936	15.3
67.05508	15.7
69.07075	20.3
69.67464	1.7
71.04971	1.7
71.08650	5.4
73.02910	4.4
79.05502	4.3
81.07060	23.7
83.08629	25.6
85.02908	17.9
85.10197	3.3
91.03953	16.7
93.07033	10.7
95.08619	31.7
97.02885	9.9
97.06499	2.4
97.10150	21.0
99.04483	2.2
105.25960	1.7
107.08614	9.4
107.32417	2.1
109.10164	19.0
110.10239	2.2
111.11695	7.7
121.10160	29.9
123.11699	7.8
127.03937	4.2
135.11693	25.3
139.11180	2.0
145.04980	7.2
149.13269	11.8
163.06001	8.6
163.14706	2.1
247.24214	16.6
265.25290	29.2
283.26364	3.7
334.10672	2.2
334.61234	2.1
336.12061	2.1
339.28967	30.9
349.05731	2.5
357.29990	100.0
364.08057	12.9
370.78461	2.3
446.45291	2.1
542.37915	2.4
568.35437	2.4
604.58795	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.6
57.07081	11.5
61.02938	21.0
61.03199	2.0
61.12373	1.8
65.29034	1.8
67.05518	12.9
69.07063	23.1
71.08639	12.2
73.02903	3.8
73.93771	1.8
79.05492	5.1
79.45728	2.1
81.07059	30.5
81.10622	1.9
83.08627	31.1
85.02923	25.4
85.10220	2.5
88.42883	2.1
91.03943	19.9
93.07042	13.7
95.08620	40.6
97.02907	10.5
97.06542	2.7
97.10186	23.6
107.08608	13.7
109.10174	20.9
111.08039	2.2
111.11731	8.5
121.10151	40.6
123.11684	5.2
125.09679	3.1
127.03898	8.6
135.11708	30.7
139.11230	2.6
145.04979	4.6
148.16907	2.0
149.13271	16.8
151.14871	2.6
151.84546	2.1
154.81367	2.5
163.05981	11.2
163.14822	5.1
165.16458	3.0
177.16457	4.3
247.24094	17.0
265.25256	41.8
283.26129	4.8
339.28989	52.7
357.30005	100.0
463.22186	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.5
67.05494	2.8
70.15903	2.1
71.08604	2.2
93.07023	5.2
94.06568	14.6
119.94270	2.8
133.10056	2.6
151.97108	2.4
162.78560	2.4
211.93723	2.3
221.90727	2.5
250.25105	5.8
262.25253	100.0
266.95261	2.8
280.26401	4.3
334.10855	3.9
500.48135	5.9
518.49304	23.7
680.54620	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99604	0.5
56.05036	3.1
57.07071	2.7
58.06606	3.5
71.08609	0.6
72.46323	0.5
74.06091	4.7
79.09877	0.6
88.07642	3.2
92.20953	0.7
118.08631	2.1
122.08105	7.8
128.81645	0.5
134.47665	0.5
242.24759	29.2
272.25781	2.1
290.26877	100.0
597.79016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71723	0.7
71.23749	0.7
98.87188	0.9
121.68544	1.0
149.33052	1.1
174.05563	1.0
248.34428	0.9
255.73978	1.0
263.05640	1.2
292.06036	2.2
293.06870	1.8
303.05298	1.9
317.63995	1.0
318.07559	5.7
320.05542	5.7
320.09232	4.9
321.06372	1.9
331.04556	1.6
334.10666	1.9
336.08630	4.4
336.12393	4.6
337.08835	1.6
337.12634	1.9
338.13739	1.7
339.14111	1.6
346.07098	4.6
349.05896	9.9
364.08139	100.0
489.11359	1.2
508.10654	1.4
609.12915	2.2
610.13306	1.2
623.11072	6.1
624.13892	1.6
639.13898	11.4
651.10400	1.4
654.16394	1.7
699.15906	62.3
699.27954	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71723	0.7
71.23749	0.7
98.87188	0.9
121.68544	1.0
149.33052	1.1
174.05563	1.0
248.34428	0.9
255.73978	1.0
263.05640	1.2
292.06036	2.2
293.06870	1.8
303.05298	1.9
317.63995	1.0
318.07559	5.7
320.05542	5.7
320.09232	4.9
321.06372	1.9
331.04556	1.6
334.10666	1.9
336.08630	4.4
336.12393	4.6
337.08835	1.6
337.12634	1.9
338.13739	1.7
339.14111	1.6
346.07098	4.6
349.05896	9.9
364.08139	100.0
489.11359	1.2
508.10654	1.4
609.12915	2.2
610.13306	1.2
623.11072	6.1
624.13892	1.6
639.13898	11.4
651.10400	1.4
654.16394	1.7
699.15906	62.3
699.27954	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31356	1.2
82.82875	1.3
159.66035	1.4
183.51994	1.5
285.07703	9.3
307.05875	3.7
320.09195	7.3
321.09738	2.7
334.10754	2.1
336.12344	2.7
343.06653	2.2
415.11890	2.0
420.95493	1.8
610.96173	1.7
699.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95662	1.0
81.67093	1.0
123.61954	1.4
290.08136	2.6
292.06061	14.8
302.08151	1.2
304.06146	4.2
305.06656	1.3
318.07605	5.3
319.08365	15.1
320.05469	15.2
320.09146	27.6
321.06293	30.3
321.09680	2.2
322.10617	1.6
334.07385	1.4
334.10709	57.3
335.11423	18.2
336.08667	100.0
364.08163	33.2
699.19342	13.2
699.37994	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91778	0.7
90.06795	0.7
97.60213	0.7
101.11717	0.6
101.82217	0.9
121.10157	0.7
170.49805	0.7
171.72923	0.8
174.05627	0.8
186.13176	0.8
190.05113	1.2
225.28212	0.8
277.07303	1.2
305.06769	1.6
306.07785	2.7
318.07712	1.4
319.07913	1.2
320.09140	2.6
322.10751	1.4
323.48639	0.9
333.06442	1.4
334.10861	3.2
335.07895	3.5
468.10904	1.0
480.11365	0.8
484.13910	1.6
496.10199	0.9
505.14288	3.4
526.15338	3.4
533.13330	3.9
593.13287	1.1
595.15253	1.3
596.15332	1.5
597.15948	4.8
607.14526	1.4
610.13678	2.5
611.17389	0.9
612.15521	2.8
613.15973	1.4
623.15234	1.0
625.16211	12.8
626.13989	1.3
627.17511	1.7
640.18097	5.4
641.15765	9.3
655.17139	17.2
669.15137	6.1
670.19543	4.4
671.20209	12.8
684.17535	0.9
699.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86689	0.4
58.06598	0.8
79.47967	0.4
89.83647	0.4
103.96973	0.5
116.06023	0.5
121.63793	0.5
125.33292	0.6
144.58504	0.5
174.05505	2.1
204.92303	0.5
276.06827	0.6
290.08072	5.0
302.08084	1.9
303.08847	0.5
304.06052	4.0
305.06833	2.2
306.07370	0.7
318.07571	9.3
319.08344	14.8
320.09128	37.3
322.10779	0.7
334.06781	1.2
334.10724	29.8
335.07785	1.0
335.11334	12.4
336.12134	2.0
350.10309	0.8
364.08182	3.1
406.09760	0.5
423.10629	0.6
424.07816	0.9
434.10681	0.8
438.08551	0.6
438.13931	0.6
449.12497	1.8
452.11224	4.5
454.12759	3.0
466.12726	1.9
467.13492	0.8
468.14636	3.1
482.15829	0.7
489.10602	0.8
493.11972	0.6
494.12497	2.0
512.13354	2.2
567.12677	0.6
569.16785	0.7
595.14728	1.1
597.16650	2.5
607.14148	0.8
609.13824	2.7
611.17883	0.8
621.16412	2.6
623.14447	1.2
624.14673	0.7
625.16132	4.9
639.17706	9.2
655.20697	3.9
665.15082	0.9
669.15063	3.1
683.15991	0.9
699.19635	100.0
713.91650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06333	0.6
86.68861	0.7
112.86646	0.8
113.37571	0.7
121.06489	1.0
137.05942	0.9
174.05563	1.7
254.78761	0.7
290.08115	1.3
305.06836	1.4
306.07935	1.0
318.07715	4.5
319.08377	3.8
320.09155	33.4
320.12729	1.3
322.10583	1.2
334.10599	9.1
335.11478	6.7
336.12256	7.6
337.12653	1.0
338.13602	1.0
364.08109	3.5
439.10330	0.9
449.12457	1.3
452.11530	1.7
454.12787	1.8
466.13019	1.1
467.13644	1.8
468.14706	1.3
482.15976	1.0
489.10733	1.2
494.12500	1.1
512.13489	1.0
569.16705	1.0
592.12329	1.0
593.16815	1.1
595.15186	0.9
597.16730	1.4
607.15240	1.2
609.14020	2.3
611.17889	1.5
621.16522	1.0
623.14545	1.6
624.15253	1.1
625.16125	4.9
639.17542	9.2
655.20508	3.2
665.15192	1.2
669.15308	1.2
699.19641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.196
Annotation	Unknow
Peak:m/z	Relative Intensity
81.54780	0.6
174.05554	1.2
257.65695	0.7
290.08185	0.6
304.06259	0.8
305.06900	3.0
306.07532	1.1
318.07666	5.5
319.08395	5.0
320.09164	29.9
334.10693	8.3
335.11484	6.1
336.12433	3.2
337.12872	0.9
346.85715	0.7
350.10269	0.7
364.08255	3.4
406.09882	0.8
434.10635	0.7
449.12732	1.0
450.13535	0.7
452.11383	3.7
454.12885	1.4
466.12872	3.0
468.14871	2.1
494.12256	0.8
512.13580	1.0
597.16888	4.0
609.14661	1.2
611.18066	1.0
621.16888	1.3
623.14697	2.6
624.15442	1.4
625.16083	5.0
639.17413	8.9
651.13849	2.6
655.20825	4.3
659.46069	0.7
665.14880	1.0
669.14856	2.6
699.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06333	0.6
86.68861	0.7
112.86646	0.8
113.37571	0.7
121.06489	1.0
137.05942	0.9
174.05563	1.7
254.78761	0.7
290.08115	1.3
305.06836	1.4
306.07935	1.0
318.07715	4.5
319.08377	3.8
320.09155	33.4
320.12729	1.3
322.10583	1.2
334.10599	9.1
335.11478	6.7
336.12256	7.6
337.12653	1.0
338.13602	1.0
364.08109	3.5
439.10330	0.9
449.12457	1.3
452.11530	1.7
454.12787	1.8
466.13019	1.1
467.13644	1.8
468.14706	1.3
482.15976	1.0
489.10733	1.2
494.12500	1.1
512.13489	1.0
569.16705	1.0
592.12329	1.0
593.16815	1.1
595.15186	0.9
597.16730	1.4
607.15240	1.2
609.14020	2.3
611.17889	1.5
621.16522	1.0
623.14545	1.6
624.15253	1.1
625.16125	4.9
639.17542	9.2
655.20508	3.2
665.15192	1.2
669.15308	1.2
699.19641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33080	1.2
71.95759	1.3
73.17091	1.3
79.44637	1.4
83.31788	1.5
113.15728	1.4
125.42638	1.4
141.36555	1.3
174.05470	2.4
279.08905	2.2
292.06241	2.0
306.07565	14.9
318.07532	6.9
319.08469	2.5
320.05560	38.3
320.09238	26.6
334.07104	9.6
334.10828	6.9
335.07892	57.7
335.11401	3.8
336.12646	5.1
350.10229	92.2
452.11578	1.7
481.58493	1.6
625.16101	2.7
639.17542	6.2
655.20709	3.1
699.19568	100.0
699.31628	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33899	1.3
67.05489	1.4
69.54895	1.3
70.77557	1.5
73.18044	1.7
74.50076	1.8
74.51169	1.6
82.97076	1.4
91.04208	1.4
92.98602	1.8
162.75960	1.5
171.27988	1.7
306.07632	14.0
317.06784	3.1
318.07416	2.4
319.08240	2.3
320.05463	32.2
320.09198	7.7
334.07068	12.6
334.10742	7.1
335.07809	64.4
335.11551	3.6
336.12329	2.1
350.10196	100.0
368.92361	1.7
384.04449	1.9
384.10864	1.7
410.30222	2.2
426.50040	1.8
433.64059	1.7
699.19427	33.5
699.30347	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
77.64446	0.6
78.57418	0.6
117.89246	0.7
159.47441	0.7
252.23151	0.7
290.08249	1.1
292.06152	0.8
305.06793	1.3
306.04355	0.7
306.07660	1.6
320.09357	3.1
322.10828	1.3
333.06470	0.9
334.07144	1.4
334.10919	2.9
335.07855	1.5
336.08908	1.3
348.08643	1.4
435.11176	0.9
437.84280	0.7
453.87234	0.8
468.10602	0.9
484.13864	1.0
490.12311	0.9
496.09940	0.8
498.15683	1.6
505.14059	2.7
512.13354	1.4
518.10669	0.8
526.15222	1.2
533.13446	3.8
548.08490	0.8
567.15997	1.0
582.15192	1.3
583.15332	0.8
595.13855	0.8
597.16693	4.6
607.16162	1.0
610.13971	3.0
611.15540	1.6
612.15112	1.0
613.16028	1.4
623.14703	0.7
624.15192	1.2
625.16046	12.9
626.14142	1.4
627.17633	2.8
639.16205	1.3
640.18323	5.4
641.15198	5.5
648.98975	0.9
653.15088	1.1
655.17255	12.6
667.54773	0.8
669.14990	4.3
670.19623	5.7
671.20154	9.0
699.19702	100.0
710.22333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49699	0.6
58.49394	0.6
65.21732	0.7
78.47955	0.8
82.40355	0.8
106.17426	0.9
174.05542	0.9
312.59399	0.7
318.04123	3.0
409.88669	0.9
438.09485	1.0
468.10974	1.4
575.37866	0.9
595.14185	0.9
598.13550	1.2
609.12695	1.1
610.13361	1.6
611.13239	1.0
613.16388	1.8
623.14508	2.8
625.14240	0.9
626.13342	4.0
639.14301	1.5
640.14789	3.3
641.15320	19.3
651.14191	1.2
654.12604	1.5
655.17157	1.0
669.14948	39.3
684.17560	7.1
699.19720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95320	0.9
55.50883	0.8
62.74876	0.8
70.21767	0.9
71.14774	1.0
77.81475	1.0
92.07287	1.0
95.79406	1.0
113.06354	1.0
113.38555	1.0
148.88641	1.0
279.09009	1.5
305.06760	2.6
306.07596	15.2
306.10321	1.0
317.06842	1.6
318.07578	7.7
319.08514	7.0
320.05615	37.7
320.09274	23.9
334.07144	10.4
334.10831	14.5
335.07855	63.5
335.11160	5.1
336.12335	1.3
350.10226	80.8
364.08237	2.2
449.12430	1.4
452.11362	2.2
468.14310	2.1
470.54416	1.2
609.14752	1.8
611.17639	1.4
623.13922	1.9
625.16370	1.7
639.17731	9.2
651.14032	1.4
655.20135	3.9
669.14380	2.2
699.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09180	0.4
66.97738	0.4
67.49402	0.4
73.31355	0.4
83.34457	0.5
92.21483	0.6
93.96247	0.5
142.11748	0.5
149.71555	0.5
278.08093	2.0
279.08774	1.1
292.06067	1.2
299.95377	0.6
306.07617	15.3
317.06873	2.5
318.07669	3.2
319.08118	0.6
320.05533	34.8
320.08725	1.2
334.07077	13.0
334.10730	2.0
335.03683	1.1
335.07858	62.9
350.10220	100.0
410.30664	0.5
457.41046	0.6
547.37469	0.6
699.19757	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67004	0.4
78.44997	0.5
84.38630	0.5
90.33842	0.5
125.48241	0.5
146.94955	0.5
148.79510	0.6
174.05504	2.4
210.07172	0.6
260.65366	0.5
282.96164	0.6
290.08118	0.6
291.08719	0.7
305.06918	2.0
318.07745	4.0
319.08414	3.6
320.09128	25.4
320.12759	1.0
334.10574	6.5
335.11520	4.0
350.10168	0.8
364.08426	2.9
424.12198	0.9
434.11090	0.6
436.12210	0.8
439.10648	1.0
449.12134	0.6
452.11108	2.4
454.12866	2.1
466.13046	1.2
467.13824	1.1
468.14548	2.1
489.10776	1.1
494.12433	1.2
496.10373	0.7
569.17072	0.8
581.14801	0.7
595.14905	0.9
597.16443	1.1
606.13696	0.7
607.14587	0.7
609.15161	0.8
621.16290	1.2
623.14819	2.7
624.15173	1.9
625.16168	4.9
639.17938	6.2
651.13940	0.6
655.20392	3.8
665.15216	1.0
669.15216	2.7
699.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
77.55515	0.5
94.34045	0.6
94.80180	0.5
105.16676	0.6
108.78253	0.5
172.03957	4.6
174.05519	3.7
187.06291	0.9
190.04987	32.5
290.08179	2.3
291.08902	1.1
292.06137	0.7
294.11243	0.6
294.38794	0.6
304.06171	0.6
305.06766	0.9
306.07590	12.0
306.10764	0.8
307.08517	0.9
307.11957	1.0
317.06677	5.7
318.07410	1.2
319.08459	4.4
319.11697	0.7
320.05493	3.3
320.09238	6.1
321.09778	1.0
322.10843	2.1
332.09396	0.7
334.07114	14.3
334.10861	5.2
335.07785	5.0
348.08899	0.6
349.09436	1.1
350.10202	10.8
351.07507	0.9
354.76752	0.7
365.09183	0.7
366.09750	5.8
422.10101	0.7
436.12247	1.0
438.13766	0.6
450.09769	1.0
451.09952	0.6
452.11313	3.7
466.13116	4.3
484.14059	1.2
494.12329	4.5
496.10010	0.8
498.15256	0.7
592.13031	0.9
595.14716	5.0
605.13110	1.0
607.15027	4.5
608.12439	0.7
617.12817	0.7
620.11627	0.7
623.14630	7.7
635.14471	2.6
637.15710	1.3
651.13770	3.0
669.17194	0.7
681.18622	7.8
699.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49280	0.4
58.40530	0.4
67.26260	0.5
73.05559	0.6
75.10922	0.6
99.44597	0.5
133.73518	0.7
136.04929	0.5
155.87122	0.5
174.05508	1.1
187.94853	0.5
290.08072	1.2
305.06808	1.1
307.08609	0.6
318.07614	6.3
319.08438	5.2
320.09146	30.2
320.12747	1.1
334.10745	8.7
335.11404	6.1
350.10178	1.1
364.08276	3.1
406.09818	1.0
434.10776	0.8
436.11661	1.1
438.09177	0.8
449.12598	1.0
452.11255	2.9
454.12698	1.2
466.13391	1.1
468.14560	1.3
482.16068	1.1
489.10693	1.0
493.11963	1.3
494.12796	0.9
512.13300	1.1
595.15582	1.0
597.16364	2.8
607.14935	2.3
609.15228	1.3
610.14319	2.2
611.18579	0.9
621.15967	1.1
623.14874	1.1
625.15771	4.2
639.17383	8.5
655.20374	4.2
657.24762	0.7
665.15295	1.0
669.14832	3.1
683.16394	0.9
699.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71065	0.4
92.21577	0.5
171.66960	0.5
172.03917	4.8
174.05598	2.2
187.06313	1.1
190.04990	34.0
278.08289	0.6
289.07278	0.6
290.08139	1.0
291.08945	1.1
292.06226	0.7
294.22144	0.5
300.34888	0.6
304.06125	0.5
305.06860	1.0
306.07611	10.8
307.08383	1.0
317.06863	7.5
318.07703	2.2
319.08481	3.2
320.05527	2.0
320.09244	2.6
321.09909	1.0
322.10950	2.3
334.07217	12.6
334.10907	2.7
335.07904	5.6
336.12323	1.0
349.09637	2.4
350.10236	9.8
436.12567	0.5
438.13376	0.6
450.09576	0.7
451.10754	0.9
452.11206	2.5
466.12823	4.5
484.14160	0.8
494.12265	4.3
496.17313	0.7
526.14508	0.9
577.13934	0.9
580.12311	0.6
592.13049	0.8
595.14783	4.5
605.13031	1.1
607.15167	3.5
617.13342	1.0
619.14496	0.8
623.14398	8.5
633.13232	2.6
635.14539	2.9
637.16156	1.0
638.17407	0.7
651.13666	4.7
681.18286	7.5
699.19739	100.0
706.27515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35526	0.5
80.25957	0.6
80.37621	0.5
92.84358	0.7
95.08648	0.8
107.08603	0.7
117.27897	0.6
155.07037	0.7
257.06790	0.8
295.06906	0.8
313.71838	0.7
320.08875	0.9
321.09695	0.9
322.09555	8.0
324.08731	2.9
334.10580	1.3
336.12256	6.2
337.12558	1.0
352.15234	0.7
353.11234	2.6
367.09247	95.0
423.11697	4.9
439.11411	7.6
465.12711	3.6
493.12186	2.8
508.90390	0.8
511.13483	100.0
580.23260	0.8
625.16663	90.3
699.19867	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06169	1.6
50.48911	1.8
60.30289	2.0
62.79679	2.1
73.49249	2.1
79.05511	2.4
119.04955	10.3
124.95795	2.3
127.65118	2.1
131.04936	12.5
137.05995	44.3
138.53131	2.0
145.02840	22.8
147.04398	5.7
151.06506	2.5
151.07509	17.3
161.05914	3.4
162.08644	2.2
163.07538	43.4
167.06981	3.7
175.03914	20.1
177.05493	57.8
177.09108	100.0
195.10193	5.5
207.06531	26.1
221.11771	18.5
248.06041	2.7
252.07539	2.5
305.08057	2.8
305.11652	3.3
311.12613	3.2
318.08658	4.1
319.08420	2.7
320.09140	15.2
321.09628	13.4
331.15527	3.7
333.11215	21.6
334.10651	5.3
335.10962	2.7
336.12384	16.6
339.12259	5.1
355.10309	2.9
365.13843	19.0
383.14883	42.0
425.11154	2.7
445.06787	3.2
519.19977	8.9
537.20435	2.9
699.26520	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94860	1.8
62.87116	1.6
65.40739	1.6
67.09833	1.7
67.63931	1.4
81.07081	2.7
91.16985	1.5
91.17592	1.7
95.08589	1.7
118.67207	1.8
127.70969	1.7
194.34404	1.9
219.22021	1.8
292.69504	1.8
314.50516	1.7
376.69626	2.1
406.15332	1.9
421.23615	2.6
451.21371	3.9
465.22818	27.4
478.23645	2.3
487.21469	2.3
488.22400	1.9
493.26144	2.5
495.27921	3.6
501.22879	2.7
503.24435	21.9
521.24677	2.3
539.26349	2.1
565.24707	3.7
567.29370	8.8
583.25714	4.1
595.28815	4.1
597.27039	10.1
612.29120	9.0
681.28772	2.9
699.30121	100.0
699.43188	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06318	1.6
58.06606	48.2
67.95318	0.6
68.97761	0.6
111.94908	0.7
221.06049	0.9
235.07596	0.8
237.09036	3.8
251.80753	0.8
253.08681	1.4
263.06995	8.1
265.08569	34.3
279.10217	1.5
282.08768	4.7
284.10428	1.4
285.11209	1.6
295.09634	8.9
297.11206	43.8
299.12772	5.5
311.12677	0.7
313.10764	9.4
340.15329	3.2
342.16986	100.0
358.16476	28.8
421.20813	0.7
438.74948	0.9
521.16168	0.8
699.33093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06320	1.8
58.06608	54.3
66.10543	0.7
68.44579	0.9
135.46255	0.8
235.07654	1.1
237.09142	6.5
253.08612	3.2
263.06973	7.6
265.08560	38.7
267.10324	1.1
279.10132	1.4
281.08026	1.2
282.08774	7.6
284.10226	1.2
285.11118	3.3
295.09616	11.1
297.11209	46.8
299.12799	6.0
311.12872	1.1
313.10666	7.5
318.64426	0.9
340.15494	1.7
342.16989	100.0
358.16455	33.4
438.20578	0.9
464.38538	1.0
699.32465	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38994	0.2
62.39020	0.2
75.16911	0.2
81.07096	0.5
81.65609	0.2
95.08601	0.3
100.91600	0.2
128.04419	0.2
145.42877	0.3
185.04259	1.3
199.70898	0.3
203.05301	2.8
213.89261	0.3
221.72932	0.2
259.07935	2.2
287.51144	0.3
301.20181	0.4
305.08362	0.5
336.12448	0.9
347.09338	2.0
365.10538	5.4
365.14700	0.3
421.13116	2.9
537.30328	32.4
699.35577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87016	0.5
77.49113	0.4
99.61996	0.5
118.64539	0.5
170.75868	0.5
185.04376	0.7
259.08087	0.6
267.82129	0.5
314.77942	0.6
347.09558	0.8
421.13776	0.8
511.69070	0.6
537.30322	30.1
649.58624	0.7
699.35596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15911	0.8
66.81620	0.9
70.72086	0.7
78.31916	0.7
78.99349	0.8
79.05505	0.9
81.07057	1.0
88.31664	1.0
93.07072	0.9
95.08621	0.9
106.92354	0.9
108.70848	0.9
157.41527	0.9
160.01469	0.8
170.80528	0.9
178.35666	0.9
184.52805	1.0
203.05338	1.4
233.29729	1.0
256.22931	0.9
259.07919	1.3
277.09113	1.7
333.17456	1.2
336.12286	1.7
347.09653	1.2
365.10495	5.0
421.13062	1.2
537.30365	27.1
544.92358	1.1
699.35626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29963	0.4
57.01587	0.4
166.72299	0.6
188.07019	0.5
202.05003	0.9
221.06145	0.6
226.70311	0.5
263.39371	0.6
290.08099	0.8
291.08774	0.5
304.06058	0.8
318.07556	1.1
319.08389	5.6
320.09033	5.3
321.09625	3.0
333.10156	2.3
334.07092	9.5
334.10852	9.2
335.11295	2.3
336.12158	2.9
375.24561	0.5
438.13446	1.0
449.09048	0.9
450.09821	1.1
462.09814	0.9
468.11060	0.7
480.10675	5.8
481.11319	0.6
482.12192	5.2
494.12393	3.9
496.10278	20.0
510.11679	8.2
511.12592	13.4
511.19431	0.8
526.14960	41.1
577.13446	0.5
608.15668	1.1
610.17627	0.6
619.34802	0.6
622.16833	0.7
623.14404	0.7
624.15143	7.4
626.16772	2.0
638.16748	0.8
639.17682	2.4
640.18414	0.6
652.14410	2.6
654.19653	10.5
667.17780	0.6
670.15277	6.0
684.17303	0.6
700.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	1.1
69.03416	1.1
81.03432	1.8
85.02897	2.9
96.04498	6.1
97.02908	1.6
122.06044	1.3
136.28294	1.0
137.05983	2.3
140.07086	1.4
147.04385	1.9
154.91275	1.1
161.05928	2.3
162.05550	1.9
167.07045	10.0
175.03923	4.5
177.05544	5.3
207.06522	10.4
235.07556	10.0
253.08426	7.9
262.06375	2.0
263.07013	14.9
266.05692	1.4
279.06580	2.0
280.07361	2.7
281.07980	15.9
293.08118	2.0
295.06375	1.5
295.09702	2.4
298.08456	2.7
299.09204	2.6
308.06671	9.8
309.07407	11.4
313.10681	16.0
323.09076	29.5
325.09717	1.5
326.07971	7.0
327.08545	8.0
340.11792	8.8
341.10159	50.0
342.13461	4.3
358.12885	2.0
364.12000	1.5
370.12952	2.3
408.13971	1.3
418.12964	1.7
436.13828	19.2
466.15112	6.0
502.17120	4.4
664.22528	4.8
682.23401	31.0
700.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82682	0.2
61.34219	0.1
63.07571	0.1
63.45854	0.2
95.34779	0.1
103.83195	0.2
138.27557	0.2
140.96339	0.2
147.08829	0.1
223.42757	0.2
292.09647	2.2
318.07553	0.6
320.09158	100.0
322.10519	0.3
334.10699	0.3
379.12881	0.3
387.77975	0.2
417.97061	0.2
446.59653	0.2
700.25983	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.0
61.02920	1.3
64.73144	1.0
69.03422	1.2
70.34554	0.9
83.07632	1.0
85.02911	10.0
97.02909	2.2
115.05479	1.2
119.04896	1.0
124.15376	0.9
127.03937	1.0
129.06976	1.2
131.04977	2.1
137.05981	60.3
143.04901	10.6
145.04985	1.3
149.05971	1.4
153.05431	1.7
157.06500	3.5
160.05162	7.8
161.06024	2.0
163.07520	1.3
164.07056	1.2
171.06558	3.4
175.07545	100.0
177.05478	4.5
179.07076	0.9
185.23878	0.9
187.07535	32.1
189.09039	6.5
205.08614	12.1
211.07607	2.1
217.08646	1.8
235.09647	39.1
239.06944	1.2
243.10045	2.0
257.00064	1.0
263.10672	4.2
270.08759	1.2
271.09607	1.4
273.88809	1.0
279.09967	1.3
291.10077	5.6
296.10434	1.4
308.18561	1.6
311.12570	1.9
323.12720	3.9
341.13721	14.6
700.26379	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00528	0.7
58.06605	32.8
61.02920	1.5
66.21804	0.7
69.03423	5.4
73.02916	1.5
73.97753	0.9
76.20532	0.9
79.96767	0.7
81.03435	1.1
85.02904	11.9
87.04424	0.9
92.20893	1.1
97.02879	6.0
119.04916	6.6
127.03865	1.4
135.04376	1.2
137.05977	31.6
139.31711	1.0
147.04401	23.3
149.06055	0.9
151.07521	1.1
153.05434	4.9
167.07056	10.5
174.87753	0.8
179.07019	10.0
197.08037	0.9
219.08151	1.0
237.09065	4.2
250.44038	1.0
263.07016	1.9
265.08588	20.1
281.07993	7.0
282.08881	10.4
290.79077	0.9
295.09253	1.0
296.10382	3.9
297.11185	23.5
309.11032	1.9
313.10641	1.4
342.17004	12.5
395.31192	0.9
401.13647	7.1
412.12775	1.2
417.13303	3.4
425.14355	1.1
493.18005	1.5
671.41162	0.9
692.98572	1.0
700.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	28.2
66.09199	0.7
72.80901	0.7
91.09393	0.8
102.69585	0.8
131.04918	0.8
137.06000	3.6
138.06285	0.8
151.04091	0.8
152.99411	0.9
161.05988	1.0
177.05412	0.9
189.18593	0.8
235.07455	1.6
252.07863	5.5
253.08694	1.2
262.06357	1.0
263.07056	8.2
266.09415	1.2
267.10190	3.1
279.06799	0.9
280.07275	3.3
281.08102	63.8
295.09674	4.0
296.10449	73.8
304.06113	0.9
319.08368	12.1
320.08997	1.8
323.11380	1.3
334.10638	17.4
336.12238	2.0
338.14148	1.5
339.14499	0.9
341.15781	1.0
424.87000	0.8
473.80313	1.0
506.21579	1.8
536.22876	3.3
700.31500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	28.2
66.09199	0.7
72.80901	0.7
91.09393	0.8
102.69585	0.8
131.04918	0.8
137.06000	3.6
138.06285	0.8
151.04091	0.8
152.99411	0.9
161.05988	1.0
177.05412	0.9
189.18593	0.8
235.07455	1.6
252.07863	5.5
253.08694	1.2
262.06357	1.0
263.07056	8.2
266.09415	1.2
267.10190	3.1
279.06799	0.9
280.07275	3.3
281.08102	63.8
295.09674	4.0
296.10449	73.8
304.06113	0.9
319.08368	12.1
320.08997	1.8
323.11380	1.3
334.10638	17.4
336.12238	2.0
338.14148	1.5
339.14499	0.9
341.15781	1.0
424.87000	0.8
473.80313	1.0
506.21579	1.8
536.22876	3.3
700.31500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.99960	0.5
66.68252	0.5
69.03436	0.6
80.77351	0.5
81.03414	4.5
85.02911	2.5
95.67162	0.6
97.02907	1.3
99.04459	37.9
103.05500	0.9
105.07049	2.2
107.04980	4.9
109.02880	0.7
117.05484	3.1
121.06474	1.1
124.05247	0.7
127.03928	0.8
131.04921	4.9
133.06491	3.7
135.08047	0.7
137.06023	1.3
145.06523	3.2
147.04413	1.2
151.07532	2.8
159.08031	1.2
161.05983	10.1
163.07536	13.3
167.07028	100.0
173.06007	1.1
173.09642	0.9
175.07509	1.2
177.09178	1.0
179.07007	2.9
181.08577	7.4
187.07564	2.9
189.09125	0.6
192.07886	0.6
193.08603	16.2
201.09128	3.8
205.08672	1.2
207.10178	0.9
217.08650	2.1
219.10158	2.9
233.11673	3.1
237.11243	2.6
253.04156	0.5
295.13113	0.6
312.38586	0.5
323.12802	1.1
347.82507	0.5
355.15375	4.7
362.66699	0.6
387.17953	9.5
405.19073	47.9
423.20187	9.8
466.55655	0.7
513.20685	0.7
531.21381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61381	1.6
55.05510	3.2
57.00039	1.5
57.03455	2.7
57.07083	35.4
61.02926	11.1
67.05506	9.1
69.07066	11.0
71.08636	42.0
71.54655	2.0
73.02912	4.4
81.07071	21.1
83.08626	11.0
85.02901	17.9
85.10187	28.9
89.06050	2.1
91.03973	16.3
95.08607	35.9
97.02887	11.0
97.10175	15.9
97.31512	2.1
109.10157	22.8
111.11715	2.9
123.11701	11.2
127.03925	3.0
137.13261	3.9
145.05009	4.0
163.06003	11.0
184.07428	3.6
196.17023	2.0
213.69460	2.1
234.53326	2.1
267.26801	10.2
274.27496	2.6
276.28101	2.1
285.28085	3.8
290.26849	10.4
309.15140	2.2
319.96152	2.0
341.30524	64.6
359.31540	100.0
405.11475	2.2
513.50684	2.0
533.23767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82492	2.8
55.05510	3.2
57.07083	38.2
57.36169	3.1
60.00492	2.6
61.02934	5.7
64.08791	3.0
67.05514	7.0
69.07061	7.1
71.08639	45.1
71.22941	3.1
71.68492	2.8
73.02914	3.3
76.90987	3.7
81.07069	22.9
83.08620	15.2
85.02899	13.3
85.10173	20.9
91.03965	6.6
95.08611	37.4
97.02872	5.8
97.10175	16.3
109.10166	20.5
121.10130	3.5
123.11708	7.5
127.03861	4.5
133.60608	3.3
148.39787	3.8
216.06659	3.2
242.24884	4.7
247.90784	3.4
263.02777	3.4
290.26895	18.2
309.07574	4.1
318.07635	4.0
319.08466	39.5
334.10703	100.0
341.30457	67.5
359.31564	66.6
429.31961	5.0
700.34229	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.5
58.93769	8.7
60.99954	10.0
66.93111	8.3
69.62331	8.9
71.08646	20.7
81.07062	26.2
83.08630	12.8
94.52807	9.6
95.08605	23.9
97.01347	9.6
97.93847	10.2
99.08112	23.3
117.05487	45.4
119.08562	10.9
121.10196	12.2
187.97031	11.7
194.35301	11.9
210.82051	12.1
240.14229	11.7
300.15930	12.5
320.09128	20.0
395.27798	100.0
702.91235	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09027	4.7
57.07082	12.6
58.49946	5.2
71.08634	10.9
72.48930	6.0
81.07069	6.9
85.10212	10.0
87.49694	5.9
89.06033	45.6
98.32029	5.2
99.75696	5.4
105.07003	5.7
107.04951	47.6
157.46710	5.6
175.07530	6.0
192.10141	7.4
203.58328	5.8
237.09064	6.2
250.10678	6.3
269.11777	34.5
300.15942	82.6
310.19891	7.1
683.52753	13.4
700.44250	100.0
700.54944	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98430	0.7
61.81760	0.8
68.45132	0.8
78.77518	0.8
111.63757	0.8
111.81355	0.9
148.94878	0.8
150.89339	0.8
152.08318	0.9
190.04990	8.0
244.92856	1.0
248.07077	4.2
276.06497	3.7
278.08099	10.5
281.52737	0.9
288.06439	4.0
289.07498	1.1
290.08081	1.3
291.08713	1.1
292.06058	3.2
304.05933	1.7
305.06824	12.1
306.07611	100.0
307.08353	4.0
308.09103	0.9
318.07654	3.7
319.08337	7.2
320.05679	1.8
320.09241	4.9
321.09900	11.8
322.07523	1.2
322.10699	26.3
332.05576	7.0
334.07043	22.5
334.10767	17.4
334.23520	1.4
335.07651	2.9
335.11264	1.2
336.12387	4.0
350.10275	15.9
364.08130	5.0
366.09781	4.9
368.11282	33.0
370.48950	1.0
464.07401	3.4
492.07211	4.8
609.12183	1.6
639.14020	1.1
643.15625	1.6
657.17706	1.2
668.13959	1.0
671.15131	2.0
683.16626	15.1
701.17847	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.176
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50256	0.4
71.39121	0.4
92.62948	0.4
95.08572	0.5
107.08549	0.4
119.04945	0.6
142.86066	0.5
147.04407	2.5
174.05528	2.9
175.03917	8.5
176.07127	0.9
180.26288	0.5
187.06432	0.6
207.06482	13.3
261.41995	0.5
272.07996	0.5
297.21973	3.7
320.05585	0.8
320.09042	1.7
332.27936	0.5
334.10965	0.6
335.11221	0.6
336.05197	0.9
336.12375	2.6
338.10190	0.8
350.06427	0.8
350.10382	2.4
369.11966	1.2
452.07452	0.9
470.08813	0.6
494.50537	0.5
496.06250	0.6
506.10410	0.9
523.11377	3.2
597.12927	0.6
615.13940	0.5
623.11279	0.6
625.12537	1.6
628.11523	1.0
639.09851	1.1
640.11316	0.6
643.13745	9.1
650.24139	0.5
653.11981	1.0
656.10590	3.0
657.15393	0.8
671.12885	34.0
685.14435	3.8
686.15192	5.0
701.17621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04585	0.3
60.18731	0.4
110.54790	0.5
146.37047	0.4
146.93483	0.4
190.04999	2.6
193.96906	0.4
235.06207	0.7
246.84720	0.4
263.05768	2.0
264.06534	1.8
265.07135	0.8
277.07397	0.6
290.08081	2.4
291.05261	0.4
291.09027	0.7
292.06082	4.5
293.06750	3.0
303.05148	3.7
305.06769	0.6
306.07645	0.8
308.05490	0.5
318.07608	7.1
319.08359	0.6
320.05597	8.0
320.09058	0.8
321.06281	2.3
324.08725	0.8
331.04770	2.6
332.05627	0.7
334.10593	0.7
336.12302	2.1
336.31906	0.4
339.10928	0.7
346.07166	4.3
347.07834	0.9
348.05090	2.4
348.08481	1.3
349.05792	9.6
362.10315	3.6
364.08145	100.0
400.03979	0.5
407.81656	0.4
701.19446	7.0
701.33215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69857	0.6
61.78267	0.6
88.21162	0.5
125.89681	0.6
154.08725	0.7
154.12282	1.4
190.04947	1.4
234.96239	0.6
250.08710	2.6
263.05759	1.1
264.06482	1.4
276.06592	1.0
277.07239	1.1
278.07883	1.0
279.08850	8.7
290.08197	1.5
292.05988	3.8
293.06921	1.5
294.11209	52.6
303.05215	0.9
305.06723	1.0
308.05609	1.1
318.07480	5.2
320.05573	6.8
320.08847	1.0
321.06122	1.2
321.09735	0.9
322.10666	17.9
331.04758	2.8
336.08588	0.7
336.12381	1.3
346.06940	3.6
348.04883	0.9
349.05920	8.1
364.08133	100.0
369.92523	0.7
462.61292	0.7
473.19647	0.9
477.14145	1.5
539.31946	16.3
571.33875	0.8
701.20306	9.0
701.36694	45.9
701.87823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18303	0.9
86.88343	1.0
95.01755	1.0
95.87156	0.9
141.21106	1.0
163.03941	5.2
164.14735	1.2
165.05479	2.0
172.89679	1.0
190.04982	2.3
193.04976	45.6
202.05025	1.5
211.93102	1.1
274.21362	1.1
306.07584	2.4
320.09198	4.3
321.09906	2.2
322.07147	1.4
334.10654	1.9
335.11276	1.2
410.10175	1.2
422.09329	1.2
424.11972	1.4
426.09610	4.0
438.09717	4.1
440.11792	1.5
451.34430	1.0
452.11166	7.1
453.12506	2.3
454.09326	6.6
466.08893	4.6
468.10147	1.7
469.11612	2.2
480.10568	4.3
481.11713	4.3
482.08575	4.4
484.14191	1.4
485.11618	1.3
496.10196	1.4
497.11417	1.7
498.11795	6.7
510.11798	6.5
512.13354	16.9
535.11395	4.1
675.58630	1.3
701.17657	100.0
701.35699	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33437	0.6
65.20553	0.6
78.07985	0.6
127.74422	0.6
133.47508	0.6
157.86662	0.7
175.03874	2.3
216.26553	0.6
235.10097	1.1
263.09409	4.1
264.10178	2.8
278.08109	7.9
278.11395	1.3
279.08920	4.3
279.12552	10.3
291.08878	3.9
292.09656	7.3
294.07846	1.2
294.11194	9.9
306.07635	3.2
307.08356	3.3
307.11987	25.7
308.09241	3.5
315.29065	0.7
320.05734	0.8
320.09192	3.5
321.09726	3.4
322.07114	60.1
323.11554	6.1
324.12289	1.5
336.12045	0.9
338.06577	1.5
338.10202	18.1
348.05063	1.2
350.06583	35.4
352.11710	2.8
364.08258	2.4
366.09686	5.2
378.06052	12.0
394.09488	1.2
453.14359	0.8
467.12585	0.8
469.14999	0.7
481.13702	2.5
512.13232	0.8
528.16650	1.3
657.16132	1.0
671.13361	2.5
683.16803	0.9
685.14392	1.1
686.14838	0.7
701.17780	100.0
707.60327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49683	0.7
59.17244	0.8
59.56393	0.7
63.63278	0.7
67.75915	0.8
85.75571	0.9
115.62386	0.7
116.86810	0.7
175.03836	1.2
261.13629	0.8
263.09406	7.2
264.06589	1.4
264.10223	4.0
275.09128	0.7
278.08197	9.2
278.11185	1.4
279.08969	3.5
279.12531	18.6
291.08881	4.2
292.09656	10.0
294.11133	7.7
306.07639	3.5
306.10992	1.2
307.08350	4.2
307.11990	41.4
308.09177	4.0
320.09076	3.9
321.09702	3.9
322.07089	51.6
323.11484	5.6
324.12320	3.3
334.10553	1.1
338.06570	1.4
338.10190	30.9
348.04849	1.2
350.06573	30.6
350.10294	1.8
352.11560	3.1
366.09662	7.7
378.06116	14.4
453.13904	0.9
481.13776	3.9
609.13013	1.3
641.14868	0.9
657.16199	1.6
669.14441	1.1
671.14209	1.4
683.16656	1.6
685.14435	1.7
701.17950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14340	0.6
53.54197	0.5
54.25837	0.6
58.54350	0.6
102.37984	0.7
112.27527	0.7
135.30917	0.8
190.05092	2.7
191.05429	1.0
278.08182	9.1
292.09854	2.7
294.08008	0.9
294.11319	1.3
306.07520	2.7
307.08618	1.1
307.11957	1.7
308.09146	1.2
319.08594	3.3
320.09174	6.1
321.09943	8.7
322.07288	1.4
322.10895	3.6
334.07239	1.2
334.10876	5.5
335.08002	1.3
336.08591	0.8
336.12329	3.8
338.10339	3.6
350.06729	1.1
352.11755	11.7
414.77829	0.8
582.14893	0.8
625.15881	3.2
628.15021	1.5
641.15826	3.2
642.16577	1.4
643.17078	9.2
653.15533	4.2
656.14417	0.9
657.18738	6.1
669.17957	1.2
671.16547	24.6
685.18665	1.4
686.19458	1.6
690.83691	1.0
701.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11776	0.7
50.58366	0.9
52.03316	0.8
57.65157	0.7
59.03979	0.8
75.10236	0.9
153.05525	1.0
162.93446	1.1
172.03966	6.5
190.05002	29.9
193.05009	8.0
260.77762	1.2
266.10172	1.0
320.09192	16.4
321.09573	1.4
336.08609	3.6
336.12271	4.3
337.12457	1.3
364.08176	2.2
380.07526	4.2
419.09970	1.2
449.11215	1.3
450.12207	1.1
454.12823	5.4
477.10870	1.4
482.12167	6.3
483.13300	1.3
493.13852	6.6
496.13214	1.4
498.15842	6.8
507.11771	4.3
526.27600	1.2
593.17297	1.3
643.17065	5.2
657.18878	12.5
669.18091	4.4
671.17297	7.6
685.18213	15.6
701.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69830	0.3
56.89559	0.4
57.99078	0.4
58.05547	0.3
63.93764	0.4
68.71807	0.4
70.80000	0.5
74.94042	0.4
104.23960	0.5
149.80066	0.4
211.36401	0.4
215.82828	0.5
248.07069	0.7
272.83640	0.5
276.06329	0.5
277.80710	0.4
278.08011	2.3
279.12451	0.8
288.06665	0.6
290.08130	9.6
291.08658	0.6
292.05923	1.0
292.09390	0.6
294.11212	0.9
302.08020	4.1
304.05988	9.9
305.06808	2.0
306.07578	19.4
307.08670	1.0
307.12015	3.0
318.07602	12.8
319.08383	48.8
320.05621	0.7
320.09027	3.8
321.09937	3.5
322.10696	6.2
332.05551	0.7
334.07233	5.4
334.10715	100.0
335.07758	0.6
335.11411	0.9
336.12369	4.4
337.13016	0.7
350.10306	2.9
351.10767	0.6
352.08066	1.0
364.08102	2.7
368.11310	6.6
392.11353	0.6
393.11450	0.8
411.33917	0.5
583.40881	0.5
598.94690	0.5
673.31036	0.6
701.21167	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65906	0.6
67.63539	0.5
165.05562	0.8
193.04961	6.9
320.09131	0.7
336.12378	0.7
350.54175	0.7
426.13232	1.2
449.11777	1.4
450.12308	2.7
454.12732	6.3
455.13559	0.8
464.12344	1.0
468.10098	0.9
470.16022	1.0
476.13565	0.6
477.11050	1.3
478.11975	0.9
480.14816	1.3
482.12570	6.5
483.13348	2.6
492.13422	1.3
493.13986	8.1
498.15503	6.4
520.44049	0.7
613.16254	0.7
627.14081	1.0
643.17181	5.7
653.05060	0.6
653.15759	1.1
657.18762	12.5
669.19196	4.3
671.16650	8.2
685.18152	16.2
686.19220	0.9
701.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.01881	21.9
58.06595	0.9
60.10921	0.8
61.02922	0.9
61.85237	0.8
65.22455	0.7
67.37667	0.8
69.03424	5.3
70.06579	1.8
74.10513	0.8
74.52688	0.8
81.03420	5.1
83.04972	1.5
85.02901	14.8
85.06534	1.1
91.05499	1.6
95.04968	1.5
97.02911	3.5
99.04457	32.0
104.39456	0.8
109.02879	4.2
111.04447	1.8
119.04922	3.7
120.41798	1.0
127.03898	9.0
139.03958	1.1
145.04932	5.1
145.06538	1.7
147.04408	100.0
165.05479	5.6
171.22577	0.9
173.06006	1.5
177.05516	1.7
183.06487	1.6
187.82516	1.0
191.07079	11.7
207.06599	1.5
217.08461	1.1
229.07005	8.0
245.08063	13.5
263.09122	3.0
339.10782	8.2
407.13351	1.4
419.13272	8.5
437.14417	5.6
437.86874	0.9
509.54416	0.9
530.80963	1.0
591.89307	1.0
701.26355	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13705	0.2
64.93793	0.2
75.91859	0.3
85.10370	0.2
104.11749	0.3
115.19469	0.3
115.55286	0.3
118.66818	0.3
129.76425	0.2
155.43674	0.3
185.04214	1.1
203.05238	2.6
231.60027	0.3
259.07999	1.9
320.09454	0.5
336.12292	1.7
337.12817	0.4
343.80075	0.3
347.09564	3.7
365.10532	5.8
421.13187	2.1
521.34973	0.6
539.31879	39.0
701.37177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13705	0.2
64.93793	0.2
75.91859	0.3
85.10370	0.2
104.11749	0.3
115.19469	0.3
115.55286	0.3
118.66818	0.3
129.76425	0.2
155.43674	0.3
185.04214	1.1
203.05238	2.6
231.60027	0.3
259.07999	1.9
320.09454	0.5
336.12292	1.7
337.12817	0.4
343.80075	0.3
347.09564	3.7
365.10532	5.8
421.13187	2.1
521.34973	0.6
539.31879	39.0
701.37177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.218
Annotation	Unknow
Peak:m/z	Relative Intensity
75.96187	0.1
83.89064	0.1
84.19673	0.1
103.62655	0.1
146.32510	0.1
193.05724	0.2
273.07806	0.3
276.06503	0.6
290.04971	0.3
290.08096	8.2
302.08072	2.8
304.06012	7.8
304.09534	0.3
306.11365	0.3
318.07574	11.5
319.08374	52.3
334.10715	100.0
404.11240	0.3
432.75360	0.2
452.14667	0.2
528.16779	0.2
532.16656	0.2
607.05872	0.2
688.93909	0.2
702.21759	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09071	0.3
55.62915	0.3
59.90302	0.3
61.36400	0.4
63.03420	0.3
70.58868	0.3
72.82706	0.3
85.89236	0.3
107.41727	0.3
115.26146	0.4
137.89197	0.3
163.03847	0.5
196.19566	0.4
196.49361	0.3
290.08069	9.6
302.08179	3.1
304.05984	8.5
318.03888	0.5
318.07581	12.9
318.11139	0.6
319.08383	55.2
320.09216	0.5
334.10718	100.0
452.11548	0.4
460.96164	0.4
466.13025	0.4
466.50204	0.4
482.15784	0.5
483.90500	0.4
698.88800	0.4
702.21747	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15473	0.2
61.57531	0.3
63.35326	0.2
64.20667	0.3
65.97384	0.3
77.26380	0.2
88.60473	0.3
92.21486	0.5
106.08261	0.3
170.44582	0.3
172.19688	0.3
179.15851	0.3
218.65515	0.3
248.45499	0.3
276.06635	0.4
290.08102	9.8
302.08136	3.0
303.50345	0.3
304.06006	8.5
318.03860	0.5
318.07593	14.1
319.08380	53.9
324.77936	0.3
334.10721	100.0
474.23260	0.3
541.87274	0.3
650.75726	0.3
702.21802	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32334	0.3
58.45856	0.3
59.11993	0.3
92.21513	0.7
101.64548	0.3
132.96794	0.3
133.76909	0.4
153.03505	0.4
206.58859	0.3
247.12836	0.4
248.11504	0.3
267.82571	0.3
276.06491	0.5
290.08041	7.1
302.08194	2.7
304.02762	0.5
304.06006	8.2
318.07571	10.7
319.08365	50.7
334.10706	100.0
702.21741	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81181	0.4
68.42968	0.5
76.82562	0.4
83.47206	0.4
138.54437	0.5
138.66444	0.4
172.09280	0.4
185.65982	0.5
290.08069	8.6
291.72314	0.5
302.08154	2.7
304.06006	8.8
311.97122	0.5
316.84851	0.5
318.07605	11.3
319.08371	52.3
334.10715	100.0
395.21375	0.5
635.92230	0.4
702.21771	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61277	0.4
97.45226	0.4
139.65251	0.5
139.85236	0.4
146.40028	0.5
153.08899	0.4
209.02664	0.4
251.37494	0.5
290.08127	7.0
302.08130	2.1
304.06042	5.7
318.07645	9.7
319.08383	45.5
334.10721	100.0
360.08841	0.5
380.09915	0.4
388.08179	1.1
389.08633	0.7
404.11279	1.0
426.99350	0.5
479.37360	0.5
495.14059	0.6
510.15170	0.6
528.16779	0.7
684.20868	0.5
702.21747	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
94.23843	0.3
188.17299	0.3
276.06592	1.3
290.08066	8.6
302.08121	2.3
304.06015	7.0
318.07538	11.2
318.92014	0.4
319.08368	49.7
320.09039	2.3
323.11426	0.5
334.10703	100.0
335.11285	0.5
656.21069	0.4
702.21582	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29024	0.7
51.94087	0.9
58.60432	0.8
61.39545	0.8
63.38133	0.8
63.49968	0.8
69.21844	0.9
82.01439	0.9
92.21544	2.0
137.06041	1.1
173.51727	0.8
223.40442	0.9
292.09802	1.5
318.07562	1.8
319.08310	8.5
320.09253	3.6
321.09991	1.4
334.10742	12.0
335.11392	1.3
336.08603	4.3
336.12396	12.6
337.12787	1.1
351.10846	1.0
402.78680	1.0
452.11111	1.5
484.13956	7.9
496.13803	4.5
498.11902	8.6
512.13562	11.7
513.14233	14.3
528.16559	54.5
570.17889	3.5
626.16278	4.8
640.18158	3.9
656.21216	16.0
672.17896	1.3
684.20776	1.8
702.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61443	0.5
60.30630	0.4
74.73631	0.4
81.12000	0.4
84.63818	0.4
84.88106	0.4
129.10640	0.3
130.59949	0.4
141.94870	0.4
166.42406	0.4
276.06494	0.6
290.08109	8.4
290.11444	0.8
292.09650	0.5
302.08179	2.6
304.05984	7.5
307.08707	0.6
307.12112	1.0
318.07611	9.4
319.08377	52.6
320.09094	6.3
321.09744	1.0
322.10928	0.6
323.11325	0.6
334.10715	100.0
335.11194	2.4
336.12244	2.6
472.35455	0.5
484.14960	0.5
498.11609	0.7
512.13538	3.4
513.14270	0.6
528.16376	4.4
549.62903	0.5
550.20142	0.5
656.21167	2.0
702.21741	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38834	0.2
58.06604	0.3
62.56514	0.3
78.76866	0.3
81.03440	0.3
85.02932	0.3
112.84066	0.3
130.89853	0.3
290.08118	6.1
302.08084	1.7
304.06061	5.2
308.09219	0.5
318.07629	7.7
319.08392	38.0
320.09091	3.6
323.11487	0.5
332.09271	0.4
333.18250	0.3
334.10730	100.0
335.11047	1.2
336.12192	1.5
468.14685	0.3
506.19821	0.4
522.22748	5.2
528.16431	1.4
531.72870	0.4
671.24701	0.3
702.20282	11.0
702.29144	15.6
702.70874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38852	0.4
58.06520	0.4
74.83935	0.3
99.04408	0.7
107.46788	0.4
149.35153	0.5
175.03804	0.8
184.79695	0.4
186.93315	0.4
187.06187	0.5
207.06439	2.3
276.06671	0.4
290.08218	4.3
302.07935	0.7
304.05972	2.7
318.07611	5.3
319.08405	34.8
320.09137	2.9
321.09653	0.7
334.10736	100.0
336.12170	2.0
441.15289	0.5
460.84683	0.6
506.20050	2.7
522.22797	18.8
540.23669	0.7
702.29645	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38852	0.4
58.06520	0.4
74.83935	0.3
99.04408	0.7
107.46788	0.4
149.35153	0.5
175.03804	0.8
184.79695	0.4
186.93315	0.4
187.06187	0.5
207.06439	2.3
276.06671	0.4
290.08218	4.3
302.07935	0.7
304.05972	2.7
318.07611	5.3
319.08405	34.8
320.09137	2.9
321.09653	0.7
334.10736	100.0
336.12170	2.0
441.15289	0.5
460.84683	0.6
506.20050	2.7
522.22797	18.8
540.23669	0.7
702.29645	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76230	0.3
64.28344	0.4
70.67456	0.4
89.71815	0.4
92.20896	0.4
92.21391	0.9
126.50391	0.5
127.61578	0.4
218.05939	0.5
276.06683	1.6
290.08167	7.9
302.08197	2.2
304.06100	6.1
306.11508	0.6
318.07632	9.2
318.11072	0.6
319.08398	40.3
320.09067	4.2
334.10733	100.0
335.11160	2.5
336.11621	1.9
506.19443	0.9
522.22766	15.6
702.20862	17.1
702.29468	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63283	0.6
52.95254	0.7
53.41302	0.6
65.45972	0.7
67.22958	0.7
70.06583	1.7
72.11931	0.7
85.02885	3.1
110.07162	1.0
120.08139	0.9
129.06992	0.9
131.08592	1.9
131.42300	0.8
157.06456	4.3
159.08040	5.1
169.06511	1.5
174.06750	1.6
189.07526	1.4
189.09119	23.9
191.10617	1.4
201.09137	9.6
219.10153	100.0
237.11275	1.8
303.25964	0.9
320.09015	1.2
702.21503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63283	0.6
52.95254	0.7
53.41302	0.6
65.45972	0.7
67.22958	0.7
70.06583	1.7
72.11931	0.7
85.02885	3.1
110.07162	1.0
120.08139	0.9
129.06992	0.9
131.08592	1.9
131.42300	0.8
157.06456	4.3
159.08040	5.1
169.06511	1.5
174.06750	1.6
189.07526	1.4
189.09119	23.9
191.10617	1.4
201.09137	9.6
219.10153	100.0
237.11275	1.8
303.25964	0.9
320.09015	1.2
702.21503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63283	0.6
52.95254	0.7
53.41302	0.6
65.45972	0.7
67.22958	0.7
70.06583	1.7
72.11931	0.7
85.02885	3.1
110.07162	1.0
120.08139	0.9
129.06992	0.9
131.08592	1.9
131.42300	0.8
157.06456	4.3
159.08040	5.1
169.06511	1.5
174.06750	1.6
189.07526	1.4
189.09119	23.9
191.10617	1.4
201.09137	9.6
219.10153	100.0
237.11275	1.8
303.25964	0.9
320.09015	1.2
702.21503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24113	0.5
63.94091	0.5
80.14967	0.5
85.54708	0.6
88.20052	0.5
114.08540	0.5
180.95233	0.6
218.80226	0.6
256.29120	0.5
292.09610	7.0
304.09793	1.0
306.07672	1.1
320.09183	10.8
321.09940	32.1
334.10995	0.7
336.12286	100.0
337.12897	0.7
393.87723	0.6
462.68039	0.7
510.68185	0.5
651.16846	0.6
702.36346	49.9
713.60284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.6
55.05525	4.0
60.21784	1.6
65.33728	1.6
67.05515	14.8
69.03431	4.3
69.07065	3.8
73.02924	30.0
79.05505	12.1
81.03426	15.7
81.07054	18.4
83.04989	2.9
83.08632	2.9
85.02914	7.6
91.05494	9.3
93.07039	17.3
95.04989	2.8
95.08618	15.2
96.64483	2.0
97.02894	15.6
99.04458	100.0
105.07035	10.3
107.08598	16.6
109.10147	10.4
117.07011	3.2
119.04951	3.8
119.08610	9.8
121.10136	9.7
123.11714	3.0
127.03883	10.2
131.08572	11.3
133.10153	12.8
135.11736	8.4
141.05469	2.1
145.05057	2.5
145.10088	3.2
147.04417	40.4
147.11720	6.4
149.09596	2.4
149.13254	2.4
155.08437	1.9
157.10022	2.8
159.08060	2.5
159.11624	2.9
161.13232	3.1
167.68713	1.8
169.09956	1.8
171.11679	3.8
173.13284	6.9
243.08569	15.0
245.00429	1.8
261.22125	7.4
336.12354	2.8
351.23340	3.9
366.40167	1.9
369.24289	12.4
387.25354	8.0
455.71469	1.9
467.27954	11.1
474.73813	2.0
485.29129	18.2
503.29822	9.9
521.30731	6.8
525.85016	2.1
667.33875	2.2
702.22931	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01875	1.2
55.05518	22.1
57.03446	11.1
57.07068	1.1
61.02925	1.5
67.05511	44.4
69.03426	5.4
69.07069	11.5
79.05501	24.9
81.06612	2.0
81.07063	41.1
83.04985	2.0
83.08623	20.7
85.02906	2.3
85.06534	1.6
91.03932	1.4
91.05473	11.8
92.20995	1.5
93.07044	29.0
95.04964	1.7
95.08602	29.4
97.02892	1.9
97.06518	1.2
97.10170	75.4
101.09689	1.0
105.07050	10.0
107.08601	36.8
109.10164	19.8
111.08070	1.8
111.20329	1.0
117.07033	5.1
119.08570	7.1
121.10148	15.1
123.11695	6.7
125.09628	99.8
127.03921	1.0
131.08582	7.0
133.10121	8.8
135.08046	8.9
135.11681	14.9
137.13257	1.8
143.10681	4.4
145.10130	7.1
147.11690	5.0
149.13242	8.4
153.09097	7.2
159.11621	4.6
161.13239	4.4
163.14848	4.1
171.10187	10.3
171.11426	1.3
173.13193	2.0
187.14818	2.4
189.11221	57.9
212.25298	1.0
227.12772	71.6
243.21039	5.0
245.13828	100.0
261.22134	22.8
317.24612	1.4
320.09262	1.4
333.15295	1.4
335.25790	69.7
336.11911	1.8
339.35852	1.3
350.10077	2.4
353.26733	1.7
362.91516	1.5
431.31229	1.3
487.34064	9.4
505.27612	2.1
505.35199	57.4
523.29108	1.6
523.36322	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14907	1.1
55.05513	25.1
56.93120	1.4
57.03433	10.2
58.02202	1.5
67.05508	39.0
69.03439	3.5
69.07072	13.1
79.05500	25.9
81.07066	40.4
83.05006	2.3
83.08622	28.5
85.06516	1.4
91.05492	9.6
92.80308	1.4
93.07040	28.1
95.08608	28.6
97.06506	2.7
97.10172	68.1
105.07040	6.8
107.08590	33.7
109.10168	18.0
111.08075	3.4
117.07043	2.4
119.08575	8.5
121.10136	16.7
123.11729	3.4
125.09626	96.0
126.66151	1.6
131.08566	7.5
133.10138	3.3
135.07982	10.6
135.11656	13.3
143.10695	3.6
145.10098	3.6
145.99374	1.5
147.11752	3.3
149.13249	9.2
153.09117	7.1
159.11668	2.8
161.13219	3.5
163.14847	3.5
171.10095	12.9
173.13200	2.9
189.11212	61.8
197.64014	1.6
227.12776	75.2
243.20926	2.3
245.13838	100.0
245.16379	3.6
261.22025	19.7
279.23181	2.2
288.53760	2.0
335.25784	64.1
409.26572	1.9
431.31494	2.6
487.34238	8.8
505.35190	61.8
523.36255	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66217	2.5
55.05511	5.3
56.25992	2.4
57.03440	13.8
57.07071	2.9
65.59411	2.5
67.05502	15.4
69.07078	21.8
71.08628	18.1
81.07068	31.0
83.08622	17.1
93.07028	6.0
95.08606	33.5
97.06511	3.4
97.10165	11.4
99.08093	20.6
102.40894	2.6
105.07037	3.8
109.10167	17.7
117.05487	56.3
119.08585	2.7
121.10163	13.6
123.11749	10.9
127.04964	2.7
127.11216	3.2
137.13248	3.1
147.81664	2.7
149.13322	3.4
163.14807	3.0
240.18263	3.0
263.23767	3.7
271.22647	22.5
337.27271	17.6
369.26144	5.4
379.28403	100.0
395.27890	36.5
397.29599	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.8
69.59026	0.6
73.57915	0.5
81.01816	0.6
91.69121	0.6
130.29668	0.6
276.10248	1.3
279.08798	2.6
290.08212	3.7
291.08661	1.6
294.11237	3.0
302.08331	1.0
304.05942	3.1
304.09579	3.1
305.06244	1.5
306.07901	1.2
306.11252	18.1
307.08322	1.2
318.07523	4.0
319.08313	16.8
320.08826	18.1
320.12781	9.9
321.09689	1.0
322.10709	3.3
323.11435	5.9
334.10739	35.3
335.11032	32.9
336.12241	4.3
337.13138	0.8
364.08044	5.1
421.11841	0.8
449.11145	1.0
453.14444	8.2
465.14355	6.3
467.16006	19.4
471.30249	0.8
479.16046	8.3
481.13846	16.3
482.15033	0.9
492.19730	0.7
495.15576	24.7
496.16653	4.5
511.18784	15.0
523.23083	8.3
601.15387	1.0
615.17438	4.1
627.16779	3.0
629.15112	3.2
641.14240	0.9
643.17261	7.0
657.14307	2.4
659.19037	1.0
672.17291	2.8
673.16217	1.2
703.18939	100.0
703.29425	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20794	0.6
55.03274	0.7
66.45476	0.6
78.50744	0.7
90.91537	0.6
98.30186	0.6
116.85770	0.7
135.82196	0.7
185.57910	0.8
190.04948	11.1
292.06042	9.6
292.09341	1.7
304.05978	0.8
305.06882	1.4
320.05463	9.1
320.09006	3.9
321.06329	22.9
321.09793	2.8
322.07089	0.8
334.10834	1.1
335.11267	1.0
336.08658	100.0
336.12219	7.1
337.12643	7.3
364.08136	6.8
366.10022	5.4
380.11557	1.1
454.09915	1.0
468.10110	1.1
470.12283	4.1
498.11899	3.3
505.10233	4.3
512.13654	1.0
627.13068	1.3
641.15118	2.9
642.94220	0.8
655.13159	1.7
685.18219	27.8
703.20374	11.9
703.35773	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
80.29146	2.4
88.26437	2.3
99.22080	3.4
306.07431	3.0
309.09583	2.4
320.08963	26.7
321.09415	5.3
322.10522	4.7
323.11755	2.9
334.10638	13.9
335.11096	5.5
336.12164	18.1
337.12851	10.3
338.13492	10.6
339.12012	2.6
352.11520	3.0
354.09549	6.2
364.08047	4.8
365.08621	3.4
569.17383	4.2
611.14270	5.4
703.19574	100.0
733.53094	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63751	1.5
65.26026	1.6
66.25546	1.4
68.46239	1.9
71.17680	1.8
142.48611	1.7
153.01479	2.3
167.80936	1.9
172.15083	2.1
190.05022	43.1
218.04575	2.8
292.06073	1.9
292.09488	2.0
321.06329	3.2
336.05084	2.7
336.08640	15.8
336.12207	3.7
337.12573	3.6
366.09821	17.7
470.12354	15.5
498.11710	9.9
505.10385	15.9
512.13245	3.1
562.93762	2.2
599.14136	2.3
611.14258	3.1
613.16461	4.6
641.14960	4.6
655.13257	11.0
670.15918	2.4
685.18146	100.0
703.20752	12.2
703.36011	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24535	0.2
58.66480	0.2
64.88741	0.2
65.09145	0.3
90.83769	0.3
152.90652	0.3
158.22154	0.4
185.74861	0.3
190.04980	0.5
278.04950	0.4
278.08115	2.3
279.08798	2.0
280.09476	0.4
290.08102	0.6
291.08612	0.5
293.06946	2.4
294.07541	1.6
294.10522	0.3
295.08377	0.6
303.08539	0.3
305.06738	1.1
306.04001	2.3
306.07538	13.7
307.08218	0.4
308.09134	0.6
318.07675	3.1
319.08380	3.6
320.05493	6.9
320.09055	2.6
321.06305	6.1
321.09799	1.3
322.10660	1.5
323.07803	0.4
324.05054	0.7
324.12039	0.3
330.69876	0.3
334.07098	24.6
334.10760	4.3
335.07822	35.7
335.10962	2.3
336.08624	5.1
336.12271	2.4
337.12912	0.3
348.08600	0.6
349.09427	5.6
350.10211	100.0
354.09744	2.3
380.11423	1.2
395.81024	0.3
410.67535	0.4
685.17291	0.5
703.19293	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22646	2.8
74.36417	2.9
74.41653	2.9
100.63157	4.1
131.54890	3.4
155.25108	4.1
305.06888	5.5
306.07483	8.6
307.08307	4.2
315.16025	16.0
318.03796	6.7
319.08188	15.0
320.05630	6.8
320.09103	22.8
321.06134	7.4
321.09650	8.4
322.07220	5.9
322.10785	18.5
323.07788	8.4
323.11469	15.6
333.06390	26.9
334.07059	5.7
334.10632	13.8
335.11105	6.5
336.05072	4.5
336.08511	24.9
336.12265	21.2
338.10132	30.4
338.13821	19.8
348.08673	20.6
366.09668	52.8
437.26999	4.7
597.67938	3.7
703.20337	100.0
703.34186	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.7
59.42932	0.7
64.02213	0.8
69.85433	0.6
76.63568	0.5
79.27843	0.6
127.03787	0.7
134.11533	0.5
146.36356	0.7
157.57211	0.5
177.01862	1.3
216.36140	0.5
230.77388	0.6
267.39435	0.6
269.18121	0.6
290.89471	0.6
294.11639	0.7
304.06049	0.8
306.07660	2.2
306.11191	1.4
318.07550	1.2
319.08350	5.7
320.08829	6.0
321.09790	2.2
322.10684	3.3
323.11469	2.7
334.10651	12.8
335.11093	6.9
336.12402	4.9
337.12952	1.1
338.14023	6.4
350.13925	0.8
368.11734	0.7
405.87787	0.8
439.66263	0.7
453.14160	1.1
467.16159	9.9
469.14362	0.7
479.16135	5.5
480.13474	0.8
481.13956	9.3
495.15619	14.0
496.16431	6.4
511.19061	10.5
627.13525	2.0
640.10986	0.9
643.17114	1.1
645.15100	1.2
655.13403	3.6
659.16473	7.2
671.16644	6.9
672.17004	1.2
673.14709	9.0
685.17249	0.9
687.16205	8.6
688.16986	3.7
703.19116	100.0
706.21722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28299	1.0
81.05440	1.4
103.14833	1.2
106.81252	1.5
110.48593	1.4
111.47099	1.3
223.82545	1.5
278.08237	2.4
290.08069	2.6
294.11053	11.1
306.07544	12.0
306.11032	3.3
307.08417	14.6
307.12033	5.4
308.09286	10.3
308.12430	1.8
309.09656	2.4
318.07910	2.2
318.11752	1.5
319.08267	14.6
320.05603	3.5
320.09052	33.7
321.09729	12.9
322.07019	5.1
322.10693	76.7
323.08002	3.5
323.11493	37.4
324.08594	1.9
324.12253	2.2
334.07019	16.8
334.10745	19.6
335.07657	4.1
335.11115	14.9
336.08450	6.8
336.12207	37.5
337.12952	9.4
338.10214	6.2
338.13840	68.6
339.10965	2.3
349.09381	11.1
350.10236	6.3
351.10828	5.9
352.11652	2.5
354.09457	2.8
380.11621	1.9
529.82397	1.7
555.81116	1.5
611.14624	1.8
659.19702	2.1
685.18042	5.6
687.20251	2.3
703.22894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88483	0.4
79.72161	0.4
82.18919	0.4
99.90510	0.5
109.81392	0.5
190.05038	0.5
209.55997	0.4
215.62741	0.5
290.08282	0.8
291.08679	0.8
292.09375	0.6
293.10364	0.7
294.11224	15.2
304.06128	1.1
305.06372	1.1
306.07919	0.8
306.11172	3.5
307.11990	0.6
308.09195	7.2
308.12558	0.9
318.07684	2.0
319.08401	5.9
320.08881	6.6
321.09845	3.1
322.06857	0.6
322.10742	20.5
323.11520	36.4
334.10794	11.8
335.11133	10.7
336.12296	23.1
337.12991	3.2
338.13855	100.0
348.08658	0.8
396.28287	0.5
703.22345	16.4
704.10089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
104.07726	0.4
116.47641	0.4
263.40967	0.4
278.07947	0.5
292.09668	0.8
294.11234	12.4
306.07877	0.8
306.11261	3.8
307.08725	0.5
308.09207	7.2
308.12592	0.9
311.09650	0.4
319.07956	3.1
320.08981	3.7
321.09872	3.3
322.10745	20.6
323.11478	37.4
333.06271	0.9
334.07306	0.5
334.10764	3.7
335.11307	2.9
336.12289	23.3
337.12946	2.8
338.13846	100.0
365.41324	0.4
380.73288	0.5
659.17603	0.5
685.13513	0.6
703.22668	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86697	0.5
53.97227	0.5
58.04079	0.6
60.98761	0.6
78.22026	0.6
90.10225	0.7
94.00410	0.6
137.98776	0.7
249.90779	0.8
258.72827	0.7
290.08008	1.2
291.09280	0.7
304.06161	1.3
318.07855	2.5
319.08365	7.2
320.08841	6.8
321.09564	3.1
323.11649	1.3
324.12253	1.2
334.07162	1.1
334.10745	11.1
335.11093	11.6
336.08698	3.0
336.12192	4.9
337.13046	0.9
338.13855	0.9
354.09537	0.9
368.10941	0.8
393.13031	0.8
425.27271	1.0
428.15173	0.8
438.13284	2.6
454.16672	2.9
455.13824	1.3
456.14453	13.0
465.14679	1.0
466.13177	3.1
467.13916	1.5
470.16458	10.2
480.14059	0.9
482.15994	9.3
484.13834	17.6
485.14188	2.3
493.14117	2.8
498.15488	14.1
499.16400	3.9
500.16809	6.2
509.17050	1.4
514.18274	5.9
641.18927	1.1
655.17010	1.0
659.20239	4.8
669.18091	0.9
687.19611	4.5
703.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53428	1.0
62.13493	1.2
65.17822	1.3
74.33603	1.3
79.24382	1.3
80.30044	1.1
92.21441	1.7
124.89151	1.3
156.20453	1.4
157.59821	1.5
190.04976	1.3
191.07050	1.9
290.07990	1.9
292.09326	1.4
294.11203	8.8
306.07422	3.1
306.10788	1.9
307.08249	7.5
308.08997	10.6
308.12820	5.9
318.07678	2.5
319.08078	9.8
320.05515	3.0
320.09091	17.5
321.09644	10.1
322.10641	24.2
323.11459	30.4
324.11636	3.1
334.07114	2.6
334.10770	23.3
335.07788	18.4
335.11298	17.9
336.08734	4.8
336.12256	59.5
337.09064	4.9
337.12875	17.0
338.09982	4.9
338.13791	47.2
350.10028	2.7
351.07230	5.0
351.10941	2.7
352.11456	6.3
353.11975	7.5
366.09491	10.7
484.14093	1.8
671.17188	5.6
685.16821	6.2
687.19397	2.6
703.22638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14521	0.7
53.82671	0.8
56.61860	0.7
57.70777	0.9
76.88749	0.9
78.63696	0.8
107.58612	0.9
108.16882	0.9
127.90359	1.0
136.93884	0.9
168.21761	1.0
203.18973	0.9
212.21478	0.9
276.10385	2.1
281.14310	0.9
289.57233	0.9
290.08087	4.2
291.08768	1.3
291.12619	1.0
294.11230	2.2
299.88599	1.1
304.06232	1.7
304.09714	3.4
305.06747	1.6
305.10602	4.0
306.07852	1.4
306.11426	1.0
307.08563	1.7
307.12030	1.1
308.09125	1.7
318.07819	2.0
319.08347	16.6
320.09015	16.5
320.13000	13.4
321.09900	1.4
322.10886	6.2
323.11407	9.6
334.06860	2.0
334.10666	31.0
335.11063	19.4
336.08728	3.6
336.12448	10.1
337.12946	1.7
338.13803	15.4
342.07291	1.0
351.07532	4.1
366.09729	17.6
468.14859	1.2
470.16159	2.1
563.96692	1.1
613.16113	1.2
659.20435	5.5
673.16364	3.2
685.17963	1.6
687.20166	5.3
703.22607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
104.07726	0.4
116.47641	0.4
263.40967	0.4
278.07947	0.5
292.09668	0.8
294.11234	12.4
306.07877	0.8
306.11261	3.8
307.08725	0.5
308.09207	7.2
308.12592	0.9
311.09650	0.4
319.07956	3.1
320.08981	3.7
321.09872	3.3
322.10745	20.6
323.11478	37.4
333.06271	0.9
334.07306	0.5
334.10764	3.7
335.11307	2.9
336.12289	23.3
337.12946	2.8
338.13846	100.0
365.41324	0.4
380.73288	0.5
659.17603	0.5
685.13513	0.6
703.22668	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02354	0.1
56.58912	0.1
57.70137	0.1
59.39159	0.1
60.72801	0.1
65.50887	0.1
77.83167	0.1
79.45065	0.1
85.71003	0.2
98.62778	0.2
291.12537	0.2
307.11984	0.2
308.12775	8.6
320.09451	0.2
320.12796	1.8
322.10721	4.4
322.41653	0.2
323.11639	0.3
335.11508	0.4
336.12250	11.4
337.13049	26.6
350.13867	1.5
352.15405	100.0
477.34332	0.2
495.21518	0.2
703.30023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64366	0.7
59.23706	0.9
62.18742	0.9
63.10038	0.8
93.07055	1.2
135.08243	1.0
145.19052	0.9
153.87004	1.1
157.35266	0.9
162.67677	0.9
205.43320	0.9
240.88182	1.0
327.03836	1.1
347.09564	1.8
541.33472	31.4
602.17993	1.2
703.38678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20697	0.6
54.26932	0.6
55.64866	0.5
55.65176	0.6
61.34737	0.6
66.62048	0.6
80.25952	0.6
80.90424	0.6
203.05301	2.7
246.43977	0.8
259.07895	1.6
319.08383	1.1
320.09021	1.1
334.10892	3.2
335.10999	1.3
347.09576	3.0
350.10214	0.9
365.10477	5.0
421.13165	1.6
495.01736	0.9
541.33417	32.3
614.95380	0.8
703.38654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17209	0.5
55.05511	0.7
55.31398	0.5
57.76855	0.7
67.31565	0.6
70.06605	0.6
70.10513	0.6
90.71917	0.6
115.87395	0.5
117.05473	0.8
131.43132	0.6
191.07027	3.4
230.76671	0.6
272.07138	1.1
277.07162	1.4
290.08182	1.0
302.08099	8.7
304.06000	1.0
304.09579	1.1
305.06876	7.0
308.09225	1.5
318.07712	2.3
319.08310	9.0
320.09021	11.4
321.09656	2.8
322.10535	1.2
329.06799	4.8
330.07581	41.8
331.08423	3.5
332.09222	7.3
334.07028	10.4
334.10797	17.4
335.11035	3.1
336.08493	1.1
336.12219	13.1
343.08356	4.8
346.10944	1.2
347.11636	0.9
358.07074	95.1
369.09775	1.4
372.08804	3.7
373.09418	31.9
374.10129	7.4
376.08145	5.8
380.07629	39.5
390.09781	1.2
415.10269	4.0
492.12930	6.8
507.15265	14.6
560.17462	0.7
704.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
79.61535	0.6
122.54736	0.7
134.15503	0.6
135.98610	0.7
147.23631	0.6
177.05475	0.8
283.26581	0.8
292.09607	5.1
304.09595	0.8
306.07416	0.6
313.52438	0.7
318.07663	1.3
319.08255	5.8
320.09036	15.3
321.09897	12.2
334.10764	7.4
335.10913	7.0
336.12253	62.2
430.76236	0.6
442.16650	1.2
456.14517	1.2
470.15781	4.9
471.16898	7.9
484.13940	1.2
486.14987	3.7
486.20563	7.8
498.15918	1.3
500.13275	7.4
508.10245	1.2
514.14899	12.1
515.15778	19.1
530.18085	53.3
572.19177	1.5
628.18085	2.8
642.19495	2.4
643.20447	2.2
658.22827	11.4
660.20630	0.9
674.19318	1.1
689.20996	0.7
704.23260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38620	0.2
56.99881	0.2
92.20927	0.4
112.65428	0.2
128.60144	0.3
136.99533	0.3
147.04338	0.3
266.86890	0.3
278.07724	0.3
292.09668	8.2
297.69778	0.3
304.09677	1.8
306.07568	3.1
318.07370	0.4
319.08301	0.6
320.09158	9.7
321.09946	29.4
334.10672	1.9
335.11121	1.9
336.12289	100.0
401.95502	0.3
486.15286	0.4
514.14795	0.9
515.15588	0.5
530.18121	2.8
534.43304	0.3
658.22308	0.5
704.23181	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45706	0.2
55.94643	0.2
57.93909	0.2
58.64016	0.2
95.77551	0.2
110.94489	0.2
121.75638	0.2
167.01210	0.2
172.86852	0.2
241.28908	0.2
253.33115	0.3
278.08130	0.3
290.08212	0.3
291.08517	0.5
292.09644	10.2
304.09625	2.3
305.06393	0.4
306.07574	3.6
318.07706	0.5
319.08307	3.2
320.09122	13.9
321.09946	31.5
334.10770	3.4
335.11017	3.8
336.12289	100.0
462.15048	0.3
500.13354	0.3
530.18060	1.4
579.00897	0.2
704.22968	12.9
730.74225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38881	0.3
55.93915	0.2
71.35116	0.2
76.06599	0.3
77.69399	0.3
84.05701	0.3
104.54816	0.2
120.20937	0.3
167.68007	0.3
269.51605	0.3
270.90369	0.3
292.06583	0.4
292.09647	9.8
304.09604	1.4
306.07635	2.8
320.09155	9.1
321.09949	27.5
334.10770	0.5
335.11218	0.3
336.12289	100.0
342.47836	0.4
470.16217	0.4
471.16385	0.5
515.15863	1.1
530.17993	2.1
534.69702	0.3
704.23163	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93159	0.3
61.90756	0.3
71.46748	0.4
86.09701	0.3
87.63441	0.3
94.21097	0.3
94.42748	0.3
123.34045	0.3
292.09744	1.4
319.08374	1.5
320.09064	6.5
321.09933	3.0
334.10849	2.0
335.11172	2.2
335.15375	0.3
336.12262	35.9
337.13223	0.4
352.15512	1.6
353.15875	1.5
392.76221	0.4
436.15372	0.4
452.15222	0.5
453.15900	0.4
454.12491	0.5
466.16586	0.4
467.17343	0.4
468.18195	3.2
469.15604	0.5
470.16278	1.2
472.14038	1.5
482.12683	0.4
484.17401	0.4
486.15399	8.9
496.14252	0.6
498.15451	7.8
500.13336	8.1
514.14960	12.1
515.15759	9.2
516.16650	0.7
528.16785	2.7
530.18005	26.8
540.16626	1.4
542.14648	1.4
556.16040	2.0
557.17352	3.2
572.19128	17.3
600.18713	1.4
614.19830	3.1
626.20270	2.8
628.17981	3.9
642.19635	5.2
643.20306	3.8
646.18927	0.6
656.17767	1.4
658.22839	14.6
660.20752	2.7
670.19141	1.6
672.20599	2.6
674.18353	3.2
686.21735	2.2
688.20691	4.0
689.21332	2.1
704.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73082	0.3
65.27271	0.3
68.19203	0.3
68.62971	0.3
82.96491	0.3
83.88177	0.3
85.88501	0.4
124.09544	0.4
137.05853	0.4
177.05493	0.6
292.09689	2.5
305.06851	2.0
306.07648	0.6
308.12817	2.0
319.08237	2.4
320.09167	51.8
321.09915	7.3
322.10641	2.2
324.12262	0.9
334.10706	6.8
335.11499	26.3
336.12283	100.0
337.12918	2.4
338.13428	1.8
338.21078	0.4
352.15445	5.8
353.15707	5.8
378.43008	0.4
420.73041	0.4
530.18231	0.8
578.32324	0.4
582.99341	0.5
704.23315	31.3
726.43292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93159	0.3
61.90756	0.3
71.46748	0.4
86.09701	0.3
87.63441	0.3
94.21097	0.3
94.42748	0.3
123.34045	0.3
292.09744	1.4
319.08374	1.5
320.09064	6.5
321.09933	3.0
334.10849	2.0
335.11172	2.2
335.15375	0.3
336.12262	35.9
337.13223	0.4
352.15512	1.6
353.15875	1.5
392.76221	0.4
436.15372	0.4
452.15222	0.5
453.15900	0.4
454.12491	0.5
466.16586	0.4
467.17343	0.4
468.18195	3.2
469.15604	0.5
470.16278	1.2
472.14038	1.5
482.12683	0.4
484.17401	0.4
486.15399	8.9
496.14252	0.6
498.15451	7.8
500.13336	8.1
514.14960	12.1
515.15759	9.2
516.16650	0.7
528.16785	2.7
530.18005	26.8
540.16626	1.4
542.14648	1.4
556.16040	2.0
557.17352	3.2
572.19128	17.3
600.18713	1.4
614.19830	3.1
626.20270	2.8
628.17981	3.9
642.19635	5.2
643.20306	3.8
646.18927	0.6
656.17767	1.4
658.22839	14.6
660.20752	2.7
670.19141	1.6
672.20599	2.6
674.18353	3.2
686.21735	2.2
688.20691	4.0
689.21332	2.1
704.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90503	0.1
58.00253	0.1
67.15852	0.1
92.56522	0.1
145.02814	0.1
159.38031	0.1
177.05447	0.6
204.18008	0.1
264.10135	0.1
268.28003	0.1
275.09262	0.1
290.08020	0.1
291.09070	0.1
291.13461	0.1
292.09592	2.3
293.10437	0.4
302.26984	0.1
306.07532	0.4
306.11029	0.1
308.12756	1.2
319.08221	0.3
320.09158	13.1
321.09921	5.3
324.12305	0.8
334.10693	0.7
335.11490	2.1
336.12271	100.0
337.12961	0.2
338.13272	0.1
352.15302	0.9
353.15814	0.7
376.44229	0.1
431.56778	0.1
498.15308	0.1
514.15564	0.1
530.18274	0.4
704.23297	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69269	0.2
64.92312	0.2
67.36534	0.2
71.74163	0.2
72.97952	0.2
75.74158	0.2
77.99294	0.2
88.35201	0.3
103.39812	0.2
144.70517	0.2
181.08473	0.2
290.07986	0.3
292.09717	2.4
305.06860	0.4
306.07574	0.3
308.12814	1.7
318.07574	0.3
319.08371	1.4
320.09164	22.3
321.09949	5.5
334.10742	4.1
335.11441	8.5
336.12277	100.0
350.13980	0.4
381.13367	0.3
452.14978	0.3
482.12064	0.3
486.15601	1.3
498.15625	0.4
500.13367	1.7
514.14923	1.7
515.15875	2.0
530.18024	3.8
660.21191	0.5
704.23236	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73082	0.3
65.27271	0.3
68.19203	0.3
68.62971	0.3
82.96491	0.3
83.88177	0.3
85.88501	0.4
124.09544	0.4
137.05853	0.4
177.05493	0.6
292.09689	2.5
305.06851	2.0
306.07648	0.6
308.12817	2.0
319.08237	2.4
320.09167	51.8
321.09915	7.3
322.10641	2.2
324.12262	0.9
334.10706	6.8
335.11499	26.3
336.12283	100.0
337.12918	2.4
338.13428	1.8
338.21078	0.4
352.15445	5.8
353.15707	5.8
378.43008	0.4
420.73041	0.4
530.18231	0.8
578.32324	0.4
582.99341	0.5
704.23315	31.3
726.43292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39854	0.6
59.01085	0.6
64.19163	0.5
75.31878	0.7
88.30663	0.6
143.17960	0.7
229.28827	0.7
290.08072	2.8
291.08548	1.0
292.09723	10.2
304.06091	1.0
304.09644	1.2
305.06381	1.2
306.07605	4.1
318.07855	0.8
319.08313	11.3
320.08984	20.1
321.09833	27.6
323.11453	1.2
334.10764	19.1
334.14502	0.9
335.11020	17.7
335.14474	1.0
336.12238	100.0
338.13913	1.2
410.06595	2.9
438.13525	2.7
440.15228	0.8
442.16611	0.8
455.13571	0.8
470.16165	2.4
471.16861	0.8
486.14954	7.0
498.15701	2.5
500.13657	5.5
512.74200	0.8
514.15088	10.7
515.15790	11.8
530.18097	43.8
572.19519	1.4
573.94104	0.8
628.17792	0.7
642.19879	1.3
643.20813	0.8
658.22675	8.5
658.40845	0.8
674.18872	0.8
686.22253	2.8
704.23242	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23423	0.2
64.17814	0.2
64.31352	0.2
73.17678	0.3
80.90094	0.2
119.26192	0.3
144.31200	0.3
215.09874	0.3
235.14836	0.3
290.07913	0.3
292.09665	6.4
304.09586	0.3
306.07532	1.8
308.12817	0.3
315.76767	0.3
319.08359	1.3
320.09131	9.8
321.09930	18.5
334.10663	3.0
335.11209	2.1
336.12280	100.0
444.27618	0.3
450.78333	0.3
471.16766	0.3
486.19739	0.4
498.15714	0.4
514.14948	0.6
515.15765	1.5
530.18250	3.4
658.22247	0.4
704.23175	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85879	0.4
53.76146	0.4
67.29595	0.4
70.41552	0.4
75.85760	0.5
112.32533	0.5
127.45834	0.5
128.22321	0.5
292.09683	2.1
304.09576	0.5
306.07559	1.1
307.08478	0.7
308.12982	0.8
319.08398	3.7
320.09158	8.5
320.12970	2.3
321.09946	11.5
323.11606	3.2
334.10632	5.4
335.11130	4.9
336.12286	60.4
337.12964	1.1
338.13904	1.3
352.15341	4.6
353.15808	3.2
366.09628	0.5
424.16162	0.6
438.13391	4.4
440.15100	1.1
442.16617	0.8
469.15311	1.0
470.16034	1.1
472.14188	0.9
484.13669	0.9
485.14749	0.6
486.15451	14.0
498.15479	5.2
500.13358	11.9
514.14966	19.5
515.15808	19.6
530.18103	49.4
628.17450	0.7
642.19751	2.3
643.20465	0.7
658.22510	2.3
670.18597	0.8
686.22577	1.0
688.19952	0.6
704.23297	100.0
728.54724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85195	0.2
64.38518	0.2
65.66299	0.2
66.56873	0.2
86.09669	0.3
102.80740	0.2
137.06007	0.2
264.10052	0.3
278.99933	0.2
291.08606	0.3
292.09604	2.4
308.12842	1.2
318.07410	0.3
319.08261	1.3
320.09119	11.4
321.09933	5.5
334.10605	2.2
335.11035	2.4
336.12283	100.0
352.15103	0.3
429.05438	0.3
468.17691	0.5
470.15979	0.3
484.17566	0.4
486.15329	2.5
498.15399	2.8
500.13354	2.7
514.14893	4.3
515.15741	3.4
528.16547	0.4
530.18060	8.5
542.14673	0.8
556.16016	1.0
557.16583	0.9
572.19128	4.8
600.18854	0.4
614.20660	1.0
626.20197	1.0
628.18231	0.4
642.19989	1.5
643.20044	1.0
658.22778	4.1
660.20587	0.9
670.19238	0.3
671.93781	0.3
672.20776	1.1
674.18719	1.3
686.22144	0.3
688.20428	1.0
689.20868	0.4
704.23260	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08451	0.3
55.72160	0.3
58.21817	0.4
94.46632	0.4
101.89299	0.4
137.44411	0.5
140.42679	0.4
160.07562	0.5
165.05475	0.4
183.42572	0.4
304.06287	0.6
318.07785	0.7
319.08398	2.4
320.08987	3.3
320.12860	1.6
321.09851	2.4
323.11490	0.8
334.10724	5.7
335.11188	1.8
336.12195	7.1
338.13876	0.5
415.96191	0.6
438.13348	4.3
440.15076	2.3
452.14804	0.7
469.15378	1.1
470.16202	2.1
472.13861	0.5
484.13791	0.7
486.15402	11.1
497.14761	0.6
498.15015	3.9
500.13464	9.0
514.14941	16.3
515.15765	20.4
530.18097	70.5
614.20410	1.9
626.20483	0.6
628.18268	1.9
642.20245	2.3
643.20325	2.9
644.04370	0.6
658.11945	0.6
658.23016	14.2
670.19373	0.7
671.19800	0.9
686.22083	1.0
688.20508	0.7
689.21362	0.9
704.23322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39177	0.8
58.06610	1.4
63.88876	1.0
70.06582	1.3
72.14806	1.1
75.81266	1.1
81.03407	1.4
85.02910	2.0
91.05524	1.3
92.05039	1.5
96.08145	1.9
106.06552	24.7
108.08118	2.1
109.02864	2.0
115.12900	0.9
117.03374	5.4
119.04948	6.6
123.06786	8.6
124.07589	20.1
133.02855	2.4
134.06015	16.3
135.47227	1.1
136.07608	1.4
137.05998	5.9
138.05519	1.9
145.02850	43.6
147.04459	2.4
149.05969	1.4
151.07565	2.4
152.07068	67.7
153.07776	1.6
159.04550	1.2
168.06618	4.1
170.08112	22.6
175.03938	2.3
177.05460	87.8
184.15495	1.0
201.05486	2.3
217.04495	1.1
282.11279	2.0
285.72266	1.1
373.12805	1.7
507.17377	19.2
528.85223	1.1
542.21515	1.1
551.19519	1.3
597.02667	1.2
686.24939	8.8
704.25391	100.0
717.73090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39177	0.8
58.06610	1.4
63.88876	1.0
70.06582	1.3
72.14806	1.1
75.81266	1.1
81.03407	1.4
85.02910	2.0
91.05524	1.3
92.05039	1.5
96.08145	1.9
106.06552	24.7
108.08118	2.1
109.02864	2.0
115.12900	0.9
117.03374	5.4
119.04948	6.6
123.06786	8.6
124.07589	20.1
133.02855	2.4
134.06015	16.3
135.47227	1.1
136.07608	1.4
137.05998	5.9
138.05519	1.9
145.02850	43.6
147.04459	2.4
149.05969	1.4
151.07565	2.4
152.07068	67.7
153.07776	1.6
159.04550	1.2
168.06618	4.1
170.08112	22.6
175.03938	2.3
177.05460	87.8
184.15495	1.0
201.05486	2.3
217.04495	1.1
282.11279	2.0
285.72266	1.1
373.12805	1.7
507.17377	19.2
528.85223	1.1
542.21515	1.1
551.19519	1.3
597.02667	1.2
686.24939	8.8
704.25391	100.0
717.73090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60172	0.2
80.32642	0.3
112.87903	0.3
162.91365	0.3
211.15665	0.3
276.06552	0.4
290.08057	6.2
292.09586	1.2
302.08176	1.3
302.42386	0.3
304.06021	6.2
304.09216	0.5
318.07584	7.7
319.08365	36.5
320.09125	4.1
321.09714	2.8
323.11365	0.4
329.11914	0.3
334.10712	100.0
335.11044	2.6
336.12247	18.3
530.18323	0.4
704.22180	8.0
714.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47196	0.3
61.43163	0.3
68.54654	0.3
75.98535	0.3
111.19230	0.3
115.69466	0.3
118.78190	0.4
123.72823	0.3
149.13496	0.3
274.80621	0.3
282.36469	0.4
290.08124	4.8
302.08145	0.6
304.05991	5.2
308.09244	0.6
318.07526	6.1
319.08374	33.4
320.09216	3.4
321.09866	1.7
322.11029	0.4
334.10712	100.0
335.11084	2.4
336.12247	8.8
581.66760	0.4
657.18671	0.3
674.16211	1.5
704.19623	7.6
704.30511	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60172	0.2
80.32642	0.3
112.87903	0.3
162.91365	0.3
211.15665	0.3
276.06552	0.4
290.08057	6.2
292.09586	1.2
302.08176	1.3
302.42386	0.3
304.06021	6.2
304.09216	0.5
318.07584	7.7
319.08365	36.5
320.09125	4.1
321.09714	2.8
323.11365	0.4
329.11914	0.3
334.10712	100.0
335.11044	2.6
336.12247	18.3
530.18323	0.4
704.22180	8.0
714.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60172	0.2
80.32642	0.3
112.87903	0.3
162.91365	0.3
211.15665	0.3
276.06552	0.4
290.08057	6.2
292.09586	1.2
302.08176	1.3
302.42386	0.3
304.06021	6.2
304.09216	0.5
318.07584	7.7
319.08365	36.5
320.09125	4.1
321.09714	2.8
323.11365	0.4
329.11914	0.3
334.10712	100.0
335.11044	2.6
336.12247	18.3
530.18323	0.4
704.22180	8.0
714.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60172	0.2
80.32642	0.3
112.87903	0.3
162.91365	0.3
211.15665	0.3
276.06552	0.4
290.08057	6.2
292.09586	1.2
302.08176	1.3
302.42386	0.3
304.06021	6.2
304.09216	0.5
318.07584	7.7
319.08365	36.5
320.09125	4.1
321.09714	2.8
323.11365	0.4
329.11914	0.3
334.10712	100.0
335.11044	2.6
336.12247	18.3
530.18323	0.4
704.22180	8.0
714.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43414	0.2
57.46608	0.2
58.06606	0.4
61.12465	0.3
62.82103	0.2
65.73331	0.2
70.17528	0.2
73.01850	0.2
87.06159	0.2
87.39774	0.2
107.22905	0.3
118.52928	0.3
118.61903	0.3
129.98717	0.3
167.07027	0.6
207.35312	0.3
230.09984	0.3
231.61134	0.4
290.08145	5.2
292.09579	0.4
302.08200	1.4
304.05951	4.6
308.09204	0.4
318.07565	7.0
319.08395	33.3
320.09119	3.2
321.09552	0.7
322.10568	0.5
334.10736	100.0
335.11063	1.8
336.12216	6.5
337.12613	0.4
364.07968	1.0
365.08499	1.1
544.29120	0.3
704.19366	4.0
704.31689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47196	0.3
61.43163	0.3
68.54654	0.3
75.98535	0.3
111.19230	0.3
115.69466	0.3
118.78190	0.4
123.72823	0.3
149.13496	0.3
274.80621	0.3
282.36469	0.4
290.08124	4.8
302.08145	0.6
304.05991	5.2
308.09244	0.6
318.07526	6.1
319.08374	33.4
320.09216	3.4
321.09866	1.7
322.11029	0.4
334.10712	100.0
335.11084	2.4
336.12247	8.8
581.66760	0.4
657.18671	0.3
674.16211	1.5
704.19623	7.6
704.30511	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89832	0.2
58.06605	0.9
59.71767	0.2
64.93048	0.2
65.35242	0.2
67.77438	0.2
92.21482	0.3
95.54749	0.2
106.61601	0.2
183.59256	0.2
207.10590	0.2
243.35330	0.2
276.06552	0.4
290.08084	5.6
290.10962	0.4
302.08148	1.3
304.06073	4.4
304.09262	0.5
307.08502	0.3
318.07587	7.2
319.08386	33.0
320.09103	3.5
321.09576	1.5
322.10660	1.1
323.11124	0.5
334.10724	100.0
335.11060	1.4
336.12274	7.4
388.34753	0.3
456.71268	0.3
704.19263	4.0
704.32172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60172	0.2
80.32642	0.3
112.87903	0.3
162.91365	0.3
211.15665	0.3
276.06552	0.4
290.08057	6.2
292.09586	1.2
302.08176	1.3
302.42386	0.3
304.06021	6.2
304.09216	0.5
318.07584	7.7
319.08365	36.5
320.09125	4.1
321.09714	2.8
323.11365	0.4
329.11914	0.3
334.10712	100.0
335.11044	2.6
336.12247	18.3
530.18323	0.4
704.22180	8.0
714.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06148	0.7
54.16159	0.6
58.06613	5.5
58.40103	0.7
67.27727	0.6
69.03441	1.0
71.67294	0.6
72.74010	0.6
73.26470	0.6
73.96967	0.7
79.40863	0.7
85.02937	5.9
97.02884	1.3
103.05447	1.4
105.07054	1.0
121.06532	1.9
122.03631	1.4
127.03887	0.9
131.04900	8.1
133.06494	19.9
135.08084	5.6
137.05986	100.0
145.06474	5.5
149.06055	0.8
151.07547	5.0
157.06558	1.3
163.07542	31.3
171.08060	2.9
175.07527	1.4
177.09201	0.8
189.09138	3.0
203.10649	7.6
221.11632	1.4
235.11110	1.7
248.08139	0.8
263.10715	3.3
295.13361	7.6
296.10385	2.9
301.77759	0.8
308.09241	1.0
327.15915	30.3
345.16956	20.1
350.78143	0.8
396.03076	1.0
417.65991	0.9
704.21570	1.2
704.33173	5.7
734.99774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22330	0.3
55.69920	0.3
62.58939	0.3
65.03934	2.2
67.05502	1.6
69.03421	0.7
71.68524	0.4
78.28115	0.3
79.41100	0.4
81.03435	0.4
81.07020	0.4
83.04984	0.7
85.02908	0.7
87.00764	0.4
89.03907	0.8
93.03413	4.6
93.52596	0.3
95.29794	0.3
97.02895	51.7
99.04466	0.7
109.02856	0.6
111.04434	1.6
117.03358	2.8
121.02866	1.6
125.05937	0.7
127.03883	0.5
129.05510	0.7
141.15858	0.4
145.02852	29.1
149.02338	7.4
149.05997	1.6
151.03874	1.6
157.06487	3.5
167.03395	30.2
169.06488	1.9
177.05464	100.0
185.05954	2.2
186.05394	0.5
189.05411	0.8
189.09103	6.7
199.07521	4.8
207.06584	1.4
213.05428	0.7
215.07028	0.9
217.08615	7.3
227.06998	5.4
245.08086	6.8
255.06473	0.5
273.07605	2.1
291.08621	19.4
292.09604	0.5
309.09738	7.0
320.09189	2.5
321.09937	1.7
334.10687	1.6
336.12354	5.5
337.12558	0.5
338.13440	0.4
359.69916	0.5
557.15100	19.5
704.31250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
58.06608	74.0
65.63393	0.3
69.03439	0.9
81.03433	1.0
82.41854	0.4
85.02930	1.9
85.06580	1.5
89.69782	0.4
97.02884	0.6
99.04447	5.8
109.02934	0.7
127.03959	0.7
137.06058	2.3
167.07004	3.6
176.15715	0.4
177.05403	0.5
189.09225	1.5
192.10245	1.9
207.08234	0.6
214.62471	0.4
219.08195	0.7
219.10120	5.1
220.10471	2.9
221.10910	1.7
235.07672	1.0
237.09148	3.2
253.08852	0.5
263.07202	0.6
265.08569	14.7
267.10245	0.7
278.09381	0.7
279.10254	0.6
281.08044	16.7
282.08841	4.9
283.09885	1.8
289.12405	1.8
291.10455	0.5
295.10089	0.5
296.10416	40.7
297.11237	12.6
299.12976	0.9
303.10510	0.6
309.10599	0.5
314.11258	0.7
317.11755	3.0
320.09390	0.6
322.10764	2.1
323.12473	0.7
324.12164	2.0
334.11151	1.9
335.12878	3.3
336.12689	2.1
337.14398	0.9
341.16486	2.3
342.13425	2.0
342.17291	3.5
349.10779	2.5
349.14658	1.9
363.12225	0.8
367.15311	6.9
380.12524	0.5
395.15042	2.3
398.17346	0.7
444.24084	0.6
602.26288	2.8
673.01331	0.4
704.32910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
58.06608	74.0
65.63393	0.3
69.03439	0.9
81.03433	1.0
82.41854	0.4
85.02930	1.9
85.06580	1.5
89.69782	0.4
97.02884	0.6
99.04447	5.8
109.02934	0.7
127.03959	0.7
137.06058	2.3
167.07004	3.6
176.15715	0.4
177.05403	0.5
189.09225	1.5
192.10245	1.9
207.08234	0.6
214.62471	0.4
219.08195	0.7
219.10120	5.1
220.10471	2.9
221.10910	1.7
235.07672	1.0
237.09148	3.2
253.08852	0.5
263.07202	0.6
265.08569	14.7
267.10245	0.7
278.09381	0.7
279.10254	0.6
281.08044	16.7
282.08841	4.9
283.09885	1.8
289.12405	1.8
291.10455	0.5
295.10089	0.5
296.10416	40.7
297.11237	12.6
299.12976	0.9
303.10510	0.6
309.10599	0.5
314.11258	0.7
317.11755	3.0
320.09390	0.6
322.10764	2.1
323.12473	0.7
324.12164	2.0
334.11151	1.9
335.12878	3.3
336.12689	2.1
337.14398	0.9
341.16486	2.3
342.13425	2.0
342.17291	3.5
349.10779	2.5
349.14658	1.9
363.12225	0.8
367.15311	6.9
380.12524	0.5
395.15042	2.3
398.17346	0.7
444.24084	0.6
602.26288	2.8
673.01331	0.4
704.32910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10624	0.7
55.81584	0.6
58.06605	62.8
65.24571	0.6
76.83843	0.7
77.77937	0.8
85.02947	1.1
89.57543	0.6
94.63998	0.6
124.99126	0.8
137.05991	1.1
147.31747	0.8
189.09149	4.6
190.09457	1.7
192.00320	0.7
201.09177	1.4
202.09488	0.9
219.10114	17.1
220.10500	9.2
221.10689	6.1
237.09099	0.8
263.07104	0.9
264.07898	0.8
265.08649	3.3
281.08032	18.8
282.08917	2.7
283.09689	1.7
296.10413	57.7
297.11111	1.2
297.66724	0.8
303.09995	0.9
305.11862	1.2
314.11447	1.4
317.11847	3.8
323.12686	1.4
333.11322	0.8
334.08301	0.8
335.12952	3.6
337.14398	0.9
349.10699	3.8
349.14438	1.2
363.12091	1.0
367.15460	10.9
380.12695	1.0
395.14941	4.0
398.17520	1.0
434.69696	0.9
499.90906	0.7
561.15631	0.9
602.26733	3.0
704.32788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37613	0.7
55.05520	1.2
58.06608	100.0
62.62632	0.8
65.27965	0.9
72.99825	1.0
81.72977	0.9
83.04982	1.9
86.57423	0.9
112.80681	1.0
163.15430	0.8
257.08102	2.3
277.14883	1.1
281.07990	1.3
292.09628	1.7
315.65460	1.2
318.07397	1.3
319.08371	9.8
320.09122	7.1
321.09927	2.2
322.11121	1.6
323.11249	1.2
324.11780	1.9
334.10721	16.0
335.12604	7.5
336.12274	20.3
337.14508	8.5
338.13724	3.8
339.14157	1.9
363.11993	2.3
380.18484	2.0
453.14642	1.3
468.15771	1.5
480.16226	1.9
482.14487	3.8
496.15674	5.0
497.16891	1.4
507.16614	1.2
512.19226	1.1
525.17035	1.5
570.23340	5.7
656.12939	1.2
672.29590	5.3
674.14441	5.2
688.16315	6.2
704.19684	53.0
704.32458	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.5
55.05513	4.8
57.07083	2.4
67.05508	17.4
69.03430	5.2
69.07068	6.4
71.04993	2.6
73.02927	29.6
79.05505	9.8
81.03436	17.5
81.07062	25.1
83.08633	6.1
84.65005	1.0
85.02889	5.7
87.04470	5.1
91.05482	8.5
91.34160	1.0
93.07047	10.1
93.71193	1.1
94.50147	1.1
95.04972	2.0
95.08598	19.9
97.02888	14.6
97.06561	1.7
97.10197	2.7
99.04460	100.0
105.07027	7.9
107.08582	7.6
109.02875	4.7
109.06550	1.6
109.10170	9.6
111.04449	9.2
111.08072	1.6
113.09669	1.0
115.05318	1.3
117.07051	1.3
119.04933	6.5
119.08582	6.2
121.06512	2.4
121.10175	7.7
123.04359	2.4
123.11729	1.7
127.03927	8.3
131.08554	4.9
133.06468	1.3
133.10136	5.0
135.11696	4.1
141.05544	1.5
143.08540	1.2
145.04936	1.5
145.06569	1.6
145.10121	5.7
147.04422	36.8
147.07983	1.7
147.11635	2.4
149.13257	4.6
157.10123	1.5
159.08052	1.3
161.13280	2.5
161.47325	1.2
162.64908	1.2
169.10110	1.1
171.06590	1.5
171.11725	1.3
173.13297	1.9
175.14767	1.7
199.14864	1.7
201.16438	1.2
205.15979	1.2
225.07593	1.5
243.08627	28.6
243.21040	2.0
263.23700	5.0
345.24426	1.4
353.24744	6.4
371.25793	12.9
389.26932	9.1
407.28027	2.5
469.29620	15.1
487.30505	22.9
505.31705	10.5
550.00891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75644	4.1
55.05512	4.8
57.07092	9.0
64.74602	5.5
67.05489	17.9
69.03436	7.4
69.07062	21.0
71.08633	8.8
73.02925	25.5
79.83637	4.2
81.03434	28.7
81.07064	34.1
83.08613	8.9
83.23807	4.9
95.08611	37.6
97.10186	8.2
97.32030	4.4
99.04460	100.0
107.08594	10.0
109.02894	27.7
109.10170	22.9
121.10143	10.0
123.11678	7.7
125.09599	6.3
127.03931	34.7
135.11627	6.0
139.11197	8.1
149.13246	10.4
163.14749	6.6
225.07576	5.1
243.08675	28.7
244.02162	5.1
261.25848	6.7
283.43231	4.8
320.09122	5.6
327.58633	5.3
343.28394	67.1
433.29550	7.5
549.34058	50.0
567.34900	27.5
704.48901	7.3
714.15009	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79240	1.3
53.99931	1.2
56.05030	2.9
57.07073	1.8
58.06606	2.5
74.06074	3.3
88.07633	3.6
118.08680	1.8
122.08140	8.3
133.93306	1.6
242.24797	34.6
272.25836	1.9
290.26880	100.0
314.52176	1.8
316.30048	1.8
320.09073	9.1
336.08539	3.2
336.12268	6.7
532.37219	1.7
614.57416	1.7
641.71552	2.3
704.36438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09900	1.3
50.87123	1.5
57.07071	2.2
58.39676	1.5
64.54474	1.5
67.05505	7.8
69.07072	7.0
79.05472	2.8
81.07058	9.6
83.08626	3.1
85.06532	1.6
95.08610	10.7
102.04451	1.7
105.07018	2.0
107.08601	3.3
109.10154	7.5
111.04446	17.1
119.08559	2.8
121.10141	9.0
121.64059	1.6
123.11718	2.2
133.10109	2.4
135.11671	7.7
137.05980	100.0
137.13275	3.4
141.09097	2.6
145.10118	2.6
147.11699	4.4
149.09602	2.3
161.09616	3.3
161.13242	2.2
163.11122	2.1
175.11162	4.3
179.10640	2.2
190.82547	2.1
203.18011	7.4
231.17430	9.9
241.15775	2.2
249.18448	4.3
254.54189	2.3
277.17953	77.4
291.26544	2.0
295.19058	33.9
308.29471	12.1
336.12436	2.6
704.36603	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63885	0.6
53.01766	0.6
54.46375	0.6
73.39207	0.7
167.03259	0.7
176.72408	0.7
185.16228	0.7
334.10706	1.6
466.05246	0.9
581.09113	2.1
593.09985	3.4
594.09564	1.0
604.66803	0.8
611.10815	9.7
621.09161	4.6
622.10199	1.6
629.11554	4.5
637.12091	2.8
639.10376	33.8
640.11371	6.5
655.13232	15.8
657.11523	25.2
672.13727	53.0
687.16046	39.3
705.16974	100.0
732.73438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79794	0.4
60.04279	0.4
80.44122	0.4
94.33830	0.6
107.21165	0.5
119.87823	0.5
146.16295	0.6
151.03891	0.5
155.98763	0.5
174.05507	0.6
179.58946	0.5
179.76970	0.5
190.05017	0.6
320.09140	2.7
321.09705	2.3
322.10629	0.8
334.10803	0.9
336.12369	2.1
337.12634	2.2
450.25659	0.5
454.09204	1.0
466.05667	1.2
581.09491	2.3
593.10187	3.1
609.09052	2.0
611.10748	9.9
621.09326	5.1
622.09967	0.9
625.12500	0.9
629.12396	3.5
637.12415	1.9
639.10388	28.1
640.10846	6.6
643.12915	0.6
654.12274	1.2
655.13525	14.3
657.11383	29.6
672.13757	52.3
687.04205	0.8
687.16119	36.7
705.16992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06129	0.8
51.58369	0.8
71.54249	0.9
73.68771	0.8
77.88454	0.9
79.94193	0.8
144.04459	1.7
147.04449	3.4
174.05508	16.9
176.07057	10.0
220.06133	1.2
294.07452	4.3
306.07608	5.7
307.08322	2.2
313.13910	1.0
322.07028	5.2
322.10535	1.1
323.07700	4.2
324.08768	1.2
335.11252	1.1
336.12164	2.0
338.10092	11.2
349.70859	1.0
350.10165	2.3
351.25003	1.5
426.09549	1.2
484.10147	1.7
485.10654	1.4
515.08813	4.3
530.10577	4.4
597.12738	1.1
612.11578	1.4
613.12103	5.0
616.13922	1.3
625.12250	1.2
627.13477	4.1
631.17438	1.7
639.10168	1.2
641.11884	62.9
643.14105	1.4
644.14142	5.6
655.12946	1.6
656.14288	31.4
659.16321	8.1
687.16156	35.1
705.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47445	3.6
57.01167	4.2
65.58136	3.7
73.51820	3.3
76.41130	3.8
108.30631	4.4
115.13129	4.1
120.92711	3.7
121.08968	4.8
123.59041	5.1
126.77333	3.8
140.10139	4.3
163.36760	5.3
328.73404	4.5
390.88812	5.7
400.69037	5.3
549.22473	4.8
605.64606	5.2
705.18622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84622	0.7
55.84225	0.9
73.68814	0.7
100.51154	0.9
112.46251	0.9
201.29059	1.1
236.08646	0.9
248.07008	3.4
249.07773	9.8
263.05991	1.1
277.07407	7.1
292.06119	1.5
294.07556	4.8
305.06882	8.2
306.07584	33.5
307.08392	21.2
308.05618	4.5
319.08206	1.9
320.05560	1.8
320.09073	6.0
321.09518	3.7
322.07120	32.5
322.10803	1.8
323.07880	35.1
324.08603	1.5
334.07071	1.3
334.10751	6.0
335.07773	8.1
335.11227	1.2
336.12125	1.8
337.09409	5.0
338.10193	100.0
343.23312	1.0
350.10141	21.5
352.07950	1.1
366.09619	14.2
367.10327	1.3
368.11240	7.0
687.19574	3.9
705.21356	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62908	0.6
70.10105	0.9
82.43140	0.7
98.54747	0.9
136.95369	0.8
137.90125	0.8
148.72255	0.8
212.19751	0.8
248.06958	1.6
249.07857	9.6
277.07285	6.8
292.05981	1.1
294.07532	3.6
305.06955	8.9
305.36926	0.8
306.07602	27.6
307.08347	18.5
308.05499	3.5
314.54254	0.8
320.05615	1.5
320.09137	3.0
321.09549	1.7
322.07117	34.0
322.10706	2.6
323.07864	33.1
323.11368	1.2
324.08624	2.0
334.10602	1.0
335.07791	5.5
336.08716	1.1
336.12387	1.7
337.09366	5.2
338.10208	100.0
340.11633	1.1
350.06372	1.4
350.10211	19.1
366.09720	10.9
368.11157	5.8
383.92914	0.9
643.16791	1.3
673.21362	3.2
687.19299	3.5
705.21619	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.6
60.28251	0.4
64.82850	0.4
70.65655	0.3
91.53118	0.4
97.95649	0.4
101.45412	0.4
104.41024	0.4
128.47040	0.4
148.37447	0.4
165.09077	3.2
166.09450	0.9
171.01457	0.4
277.09116	0.5
285.07452	0.5
292.09677	0.4
307.60489	0.5
319.08646	0.5
320.08990	3.4
321.09558	3.8
322.10464	0.7
334.10867	1.6
335.11017	0.6
336.12259	6.9
337.12741	3.0
353.54327	0.5
365.10370	0.5
414.13333	0.6
442.12802	3.0
443.13763	1.5
456.10913	0.8
468.10794	0.6
469.11423	1.6
470.12277	4.7
471.13385	5.0
472.10281	3.1
485.11099	1.8
486.11227	21.5
496.09555	0.4
497.11340	0.5
498.11697	6.8
500.09726	18.3
512.13757	3.8
514.11316	33.2
515.12134	27.4
530.14447	100.0
604.09332	0.4
629.19067	0.6
629.81317	0.5
661.22247	4.1
705.20721	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38556	0.8
98.22038	1.0
135.44342	1.0
137.06035	1.1
157.60995	1.1
160.85448	1.0
202.21066	1.0
210.62860	1.0
236.98866	1.2
278.93842	1.0
290.08035	2.4
292.09683	2.3
304.05951	2.3
306.03827	1.7
306.07327	3.4
308.09052	15.9
318.07578	5.4
319.08362	13.2
320.09225	13.3
321.06177	3.5
321.09830	15.3
322.10748	48.8
323.11575	5.1
324.12216	1.3
334.10718	100.0
336.08545	13.1
336.12296	35.3
337.12546	2.5
338.14041	1.6
339.14215	2.1
350.10098	4.5
351.11008	27.4
352.11707	5.1
354.09668	1.1
356.11072	1.7
368.11356	1.3
469.17307	1.5
483.15436	1.9
497.17340	1.2
513.19934	1.9
687.19788	35.0
705.20337	44.6
705.30493	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84059	0.5
70.07565	0.6
93.07055	0.8
107.88320	0.6
179.07111	3.7
190.04971	0.7
204.67053	0.6
235.50212	0.7
279.08875	0.6
292.09821	1.1
306.07779	0.8
308.09219	0.8
319.08566	1.2
320.09171	1.2
321.09674	4.1
322.10657	1.3
323.11389	0.7
334.07285	0.7
334.10913	3.4
336.12326	13.8
337.12881	2.2
338.10257	0.8
338.13876	2.1
340.11966	0.8
356.11185	4.3
364.08298	0.8
438.44980	0.6
468.13272	2.7
479.12604	2.8
481.10739	1.0
483.15771	0.8
493.13931	2.6
496.12790	3.4
509.17258	3.2
510.14859	0.8
511.15060	21.3
512.13861	1.2
527.18335	2.6
560.50177	0.6
617.19745	1.8
631.17889	3.1
643.20636	3.3
645.18726	1.3
646.19653	2.7
647.20306	4.6
657.17560	0.7
661.21759	13.0
673.21851	7.4
675.19574	20.1
687.19775	1.1
689.21210	9.2
705.24396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25037	0.6
58.06612	1.4
65.73444	0.6
66.35055	0.6
93.75749	0.6
98.09054	0.6
112.11872	0.6
142.81297	0.8
154.02400	0.6
154.65498	0.7
160.05251	0.8
161.05972	0.7
166.06302	1.5
181.08569	10.2
190.06342	4.1
190.20689	0.6
194.27896	0.6
199.07515	5.0
205.08626	6.1
289.08862	1.0
292.06070	10.9
304.06088	0.8
304.11182	1.3
305.11749	4.8
310.12033	0.9
319.08719	3.0
320.05521	11.6
320.08893	1.5
321.06461	24.3
321.11508	6.0
322.10858	1.0
334.10675	6.1
335.11118	0.9
336.08682	100.0
336.13092	7.6
338.14301	1.4
341.13815	0.8
343.72916	0.9
364.08145	8.2
367.15454	14.8
390.53238	0.9
470.08472	1.0
514.44745	0.8
547.21973	3.0
705.24615	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43503	0.4
58.06533	3.7
61.64259	0.3
66.88277	0.3
68.81399	0.4
72.98360	0.4
82.70188	0.3
92.76550	0.4
121.06440	0.4
190.04935	0.6
251.08505	0.5
263.05707	1.6
277.07333	0.5
290.08090	1.4
291.08795	0.5
292.05923	1.9
292.09464	0.8
293.06833	1.5
303.05200	2.6
304.06168	0.5
305.06940	0.5
306.07416	0.8
308.05603	0.6
318.07632	4.8
319.08340	0.5
320.05493	5.3
320.08963	1.6
321.06409	1.2
321.09808	0.8
322.10645	0.6
323.86664	0.4
331.04675	1.8
334.10593	1.3
335.07553	0.6
335.11105	0.9
336.12222	4.0
337.12665	0.9
346.07202	3.6
348.04929	1.6
349.05795	7.5
350.06570	0.6
364.08136	100.0
435.24829	0.4
496.13599	0.4
498.13391	0.4
539.00293	0.4
584.13562	0.8
585.14587	0.5
602.14642	0.7
705.24414	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03582	0.4
58.06532	2.4
58.06776	0.4
60.59550	0.6
71.20116	0.5
81.92670	0.5
90.90077	0.5
124.73842	0.5
214.88689	0.5
292.06058	12.9
304.06104	0.9
306.04071	0.7
306.10867	0.6
307.08289	0.7
318.07651	1.8
319.08328	6.5
320.05502	12.1
320.08981	4.8
321.06311	27.9
321.09598	1.7
322.10648	0.7
324.12167	0.9
334.10718	11.9
335.11060	7.2
336.08655	100.0
336.12125	6.6
337.12781	3.6
364.08163	11.2
474.05408	0.5
651.74475	0.6
705.24042	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06543	1.1
61.65276	0.4
67.20193	0.4
74.50663	0.4
87.61436	0.5
111.94359	0.6
120.03313	0.5
149.16940	0.4
290.08081	0.7
292.05984	12.1
304.06088	1.1
306.03818	0.5
307.04761	0.6
307.08163	0.5
308.09143	0.8
318.07635	1.1
319.08392	5.1
320.05487	13.1
320.09064	4.7
321.06305	29.3
321.09628	2.0
322.10315	1.8
324.12219	0.7
327.55829	0.5
330.07175	0.9
331.07956	0.8
334.07123	0.7
334.10693	8.9
335.10977	4.2
336.08643	100.0
336.11990	5.0
337.12753	3.2
358.07156	1.8
359.07498	2.2
361.45734	0.6
364.08084	10.6
373.09039	0.6
374.09769	1.6
380.07712	0.7
524.32135	0.5
705.24243	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06507	2.1
75.88600	0.5
86.30900	0.5
107.85880	0.4
117.34876	0.4
124.70380	0.5
133.02699	0.6
181.08553	0.9
192.18521	0.5
199.07541	0.6
205.08624	0.9
289.13705	0.5
290.08151	0.7
291.08359	0.8
292.05991	10.3
304.06024	2.1
305.06100	0.5
307.08194	0.5
308.09045	0.6
316.66385	0.5
318.07596	2.1
319.08316	7.7
320.05475	11.7
320.08936	5.3
321.06299	25.7
321.09558	1.6
322.10440	0.6
334.10724	12.8
335.10931	6.0
336.08640	100.0
337.12668	1.0
350.10126	0.6
364.08145	7.3
367.15536	1.8
533.71771	0.6
686.34918	0.6
705.24432	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57658	0.4
58.06535	2.8
114.43829	0.5
119.59290	0.4
122.70610	0.5
290.08035	0.9
292.06055	11.1
292.09213	0.9
293.06552	0.5
304.05994	0.6
305.06458	0.6
306.03909	0.7
306.07394	0.5
318.07590	1.1
319.08273	4.9
320.05496	11.7
320.09052	4.8
321.06287	25.2
321.09586	1.4
322.10678	0.9
324.12405	0.6
334.10709	10.3
335.11066	4.8
336.08646	100.0
336.12097	6.0
337.12628	3.8
364.08099	8.0
364.11932	0.7
383.44678	0.6
397.06818	0.5
475.21515	0.5
554.69189	0.5
661.18237	0.6
705.24213	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83583	3.4
52.66299	3.5
58.06613	4.3
61.92548	3.4
62.17249	3.3
66.02327	4.0
68.81284	3.2
72.30125	3.7
72.87431	3.6
77.30750	3.5
96.11066	3.1
99.04363	4.0
161.05910	8.8
166.06233	18.9
181.08591	76.1
186.35976	4.1
190.06274	23.9
199.07515	31.8
205.08601	46.2
230.47179	4.0
289.08588	16.4
292.06024	6.4
303.10214	6.2
304.80313	3.6
305.11661	25.2
309.11188	6.8
319.08188	24.7
320.05551	7.2
320.08810	29.3
321.06262	8.3
321.11038	32.6
323.11990	9.4
324.12537	5.0
334.10703	42.4
335.11423	17.7
336.08578	66.7
336.13132	62.6
337.12704	3.9
339.12814	6.3
356.11301	26.2
364.07977	5.0
367.15369	100.0
369.16672	7.3
387.18085	6.2
389.79269	4.1
418.50726	5.4
470.08752	5.7
547.21649	17.8
682.63660	4.8
705.21936	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4034
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.00436	1.2
55.05505	1.6
57.54945	1.1
67.05511	5.2
81.07064	5.5
83.08626	2.3
95.08607	1.2
97.10172	7.1
107.08611	1.7
109.10156	2.0
125.09629	6.0
126.09956	2.1
184.07452	1.6
189.11281	2.4
227.12819	9.4
228.13148	1.6
244.43355	1.4
245.13876	6.9
246.14240	2.4
329.63907	1.5
335.42920	1.4
337.27341	5.1
338.27655	2.5
459.08331	1.4
507.36359	2.5
508.37363	11.9
543.35040	39.6
643.18396	1.6
659.93964	1.7
705.39972	100.0
705.49615	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12140	0.7
57.64847	0.9
58.56602	0.8
67.05501	0.8
69.22236	0.7
95.08594	1.1
141.93433	0.8
182.68741	0.8
184.67554	0.9
203.05267	1.3
251.30647	0.9
259.07980	1.7
347.09198	1.7
365.10724	5.2
543.34882	37.7
705.40118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77703	1.8
55.05503	3.7
57.07063	4.8
67.05499	18.2
69.07066	5.3
71.08624	39.3
75.82670	2.0
79.05492	18.3
81.07063	34.9
83.04987	2.9
83.08637	4.7
84.90033	2.5
85.10172	3.3
91.05477	4.3
93.07039	38.1
95.08606	18.3
99.08080	27.6
104.72295	2.4
105.07020	5.4
107.08591	17.9
109.10167	12.0
109.37051	2.4
115.03631	2.6
119.08572	5.3
121.10133	23.3
129.13956	2.3
133.10135	9.2
135.11690	29.2
137.09579	2.8
149.13223	12.8
151.11183	11.3
153.43315	2.4
155.00974	9.1
161.13255	13.8
163.11226	3.4
175.14764	2.7
179.14299	79.1
277.21634	100.0
295.22705	54.7
332.62219	3.3
336.12250	4.0
337.12820	3.7
352.15445	4.5
353.15744	5.3
393.24039	2.8
656.65515	3.2
705.39764	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22869	0.3
55.99917	0.3
91.34180	0.4
96.54477	0.4
103.56612	0.3
250.77357	0.4
290.08130	6.7
302.08115	2.8
304.06046	9.2
318.07559	10.9
319.08380	51.8
320.09042	1.2
321.09583	0.8
322.10275	0.5
323.11542	1.4
334.10730	100.0
335.11139	1.7
336.11618	2.1
337.12299	1.7
338.13882	4.4
364.08121	2.3
502.14307	0.4
516.15704	1.4
517.16101	0.6
531.18286	1.6
532.18536	3.3
644.21143	0.4
648.05865	0.4
660.23810	0.7
663.85101	0.4
693.58832	0.4
706.21765	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11412	0.4
50.25440	0.4
51.35601	0.4
56.64506	0.5
58.34313	0.5
63.13485	0.5
77.91651	0.4
101.95554	0.4
125.83263	0.5
127.22549	0.4
200.31764	0.5
276.71979	0.6
290.08078	8.6
294.11252	9.0
299.87958	0.6
302.08130	3.2
304.06061	7.7
306.11267	1.1
308.09024	3.5
315.41855	0.5
318.07614	10.3
319.08389	46.7
320.08984	0.7
321.09015	0.6
322.10745	12.9
323.11517	33.3
334.10730	92.7
336.12030	0.7
338.13849	100.0
410.06219	0.6
421.01657	0.6
421.10620	0.6
516.15411	0.7
532.18848	0.9
660.23639	0.6
669.35596	0.6
706.22083	37.0
731.02289	0.7
735.71277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22869	0.3
55.99917	0.3
91.34180	0.4
96.54477	0.4
103.56612	0.3
250.77357	0.4
290.08130	6.7
302.08115	2.8
304.06046	9.2
318.07559	10.9
319.08380	51.8
320.09042	1.2
321.09583	0.8
322.10275	0.5
323.11542	1.4
334.10730	100.0
335.11139	1.7
336.11618	2.1
337.12299	1.7
338.13882	4.4
364.08121	2.3
502.14307	0.4
516.15704	1.4
517.16101	0.6
531.18286	1.6
532.18536	3.3
644.21143	0.4
648.05865	0.4
660.23810	0.7
663.85101	0.4
693.58832	0.4
706.21765	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	2.5
58.77752	1.5
59.77315	1.4
69.22192	1.7
69.61453	1.8
73.42212	1.5
110.87978	1.6
137.04976	2.9
137.05974	33.5
144.00955	1.6
144.73581	2.0
174.05513	2.1
188.69086	1.6
190.05086	2.4
306.07721	2.3
318.07907	2.0
319.08444	2.1
320.09274	9.2
322.10553	3.6
334.07129	2.8
334.10876	3.1
336.12479	8.8
349.09518	2.8
350.06573	73.3
364.08240	7.6
365.08307	4.0
472.14044	6.2
602.15869	2.1
605.29175	2.2
619.18951	2.3
620.18860	2.3
644.19354	2.3
647.21326	3.5
648.18616	2.9
662.20398	13.0
676.17950	3.8
677.22461	2.5
678.23193	42.4
691.21173	2.1
706.22803	100.0
706.35144	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00152	0.4
89.19004	0.5
108.93747	0.6
121.66589	0.5
160.20056	0.6
193.29321	0.7
279.80191	0.5
290.08121	9.4
302.08243	3.3
304.06042	9.9
318.07669	14.6
319.08380	56.9
320.09241	3.4
322.10550	0.7
334.10733	100.0
335.11359	1.2
336.12546	2.8
337.12701	0.6
338.13815	2.1
347.70892	0.6
431.69473	0.5
571.45795	0.6
646.18298	0.7
706.22754	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10256	0.4
65.28535	0.4
70.06544	0.4
118.06356	0.4
122.06013	0.4
156.55826	0.5
192.31404	0.4
273.42990	0.5
290.08087	11.2
302.08109	3.3
304.05978	9.6
307.08517	0.4
308.09018	0.4
318.07605	16.0
319.08380	56.3
320.08975	1.9
321.09363	0.4
334.10718	100.0
335.11072	0.7
336.12332	2.7
513.99957	0.5
706.22906	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12530	0.2
77.73695	0.2
79.80311	0.2
81.24200	0.2
94.56654	0.2
121.10979	0.3
136.05896	0.2
155.02917	0.2
163.05475	0.3
243.12459	0.3
273.07635	0.3
276.06555	1.6
289.07260	0.3
290.08099	12.0
295.97046	0.2
302.08060	3.2
303.08820	0.4
304.06018	10.9
318.03848	0.6
318.07578	16.7
319.08386	55.9
320.09003	1.2
334.10724	100.0
336.12366	2.3
337.12463	1.5
338.12863	1.2
338.55545	0.3
414.96149	0.3
455.25436	0.3
562.07837	0.3
706.22815	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57049	0.3
60.28873	0.3
72.82165	0.3
95.80986	0.3
117.18788	0.3
123.73872	0.3
127.37140	0.3
130.39297	0.3
147.66408	0.3
150.96475	0.3
190.04971	0.5
245.71094	0.4
247.06911	0.3
290.08099	10.3
290.11246	0.6
302.08044	3.6
304.02734	0.7
304.06039	11.3
318.07590	16.3
319.08389	58.9
320.08990	0.5
334.10724	100.0
336.12262	1.5
338.13452	0.3
388.08151	0.7
450.98349	0.4
706.22809	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17014	0.1
97.97996	0.2
142.94171	0.2
221.75455	0.2
276.06497	0.7
290.08075	12.8
299.99020	0.2
302.08099	3.6
303.08694	0.3
303.59476	0.2
304.06009	10.7
305.06442	0.2
318.07581	15.4
319.08368	56.9
320.09100	1.0
334.10699	100.0
335.11011	0.7
336.12308	0.3
365.08304	0.2
706.22772	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72958	0.3
56.61762	0.4
57.96614	0.4
67.96879	0.4
70.69168	0.4
79.93426	0.4
96.14366	0.3
103.64644	0.4
122.83775	0.4
126.18839	0.5
274.27646	0.4
290.08151	13.2
302.08008	3.1
304.06046	11.2
318.07590	14.9
319.08405	57.4
320.09143	2.7
334.10736	100.0
335.11060	0.5
336.12234	0.8
434.34546	0.5
706.22906	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57716	0.3
68.03921	0.2
75.62500	0.3
92.21555	0.3
104.90163	0.2
117.64717	0.2
139.61035	0.3
182.75612	0.3
290.08130	0.6
292.09528	0.4
293.10205	0.6
294.11212	11.5
304.06055	0.4
306.11139	2.3
308.09131	4.6
318.07568	0.6
319.08417	3.7
320.09128	1.3
321.09821	2.4
322.10687	14.7
323.11481	34.3
334.10638	7.3
336.12250	5.9
337.12579	6.1
338.13818	100.0
352.15332	2.3
357.81366	0.3
706.24786	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46770	0.4
59.72332	0.5
61.93430	0.5
64.23857	0.5
87.62269	0.5
89.82372	0.5
118.94662	0.5
136.56248	0.6
143.67580	0.5
143.89700	0.5
151.96783	0.6
152.50723	0.5
238.30310	0.7
290.08017	4.4
292.09595	0.7
294.11221	14.9
294.14346	0.7
302.08289	0.8
304.06207	3.1
304.09573	0.6
306.11279	4.0
307.08548	3.5
308.09067	7.3
318.07559	7.8
319.08395	21.4
319.11850	0.9
320.09161	8.7
322.10699	20.1
322.14044	1.0
323.11496	57.8
334.10727	46.3
334.35080	0.6
336.12372	1.2
337.12875	0.7
338.13846	100.0
364.08307	0.7
366.62366	0.5
378.09619	0.6
471.64590	0.7
484.14151	0.6
494.36823	0.8
506.21237	0.6
544.15851	1.0
586.17175	2.7
609.75043	0.6
646.18805	0.6
706.24921	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61957	1.5
76.55209	1.8
135.46858	2.0
152.88182	1.8
158.88371	1.8
210.18864	1.6
290.08102	8.6
304.05936	12.0
318.07562	17.3
319.08380	65.0
334.10721	100.0
338.13791	3.5
392.79037	1.9
404.69775	1.9
684.82422	1.9
703.60187	2.0
706.25018	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61957	1.5
76.55209	1.8
135.46858	2.0
152.88182	1.8
158.88371	1.8
210.18864	1.6
290.08102	8.6
304.05936	12.0
318.07562	17.3
319.08380	65.0
334.10721	100.0
338.13791	3.5
392.79037	1.9
404.69775	1.9
684.82422	1.9
703.60187	2.0
706.25018	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37992	0.3
54.65314	0.3
55.30861	0.3
70.30092	0.3
78.43819	0.4
89.11435	0.4
129.15199	0.4
146.47499	0.4
290.08026	5.6
294.11203	11.1
302.08002	0.8
304.05984	5.2
306.11261	2.0
308.09061	4.3
318.07541	7.3
319.08380	30.3
321.09561	0.5
322.10715	10.8
323.11520	33.3
334.10724	55.3
336.12286	1.6
337.12833	0.7
337.35883	0.5
338.13843	100.0
352.15540	3.7
475.42130	0.5
516.15527	0.6
517.16016	0.5
532.18500	2.0
574.19568	0.6
611.74304	0.5
706.22461	23.2
714.38739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03210	0.2
62.06006	0.2
95.12730	0.2
113.12727	0.2
114.62215	0.2
121.61092	0.2
141.62665	0.2
169.57492	0.2
199.23752	0.2
214.29965	0.2
219.37059	0.2
237.47968	0.2
276.06400	0.2
279.08798	0.3
290.08105	1.5
291.08200	0.2
294.11200	9.2
302.08115	0.4
304.05902	1.7
306.11182	2.2
308.09180	4.1
318.07605	2.7
319.08347	10.2
320.08710	1.5
321.09155	1.5
322.10703	10.9
323.11490	31.7
334.10712	18.6
335.11084	1.8
336.11646	1.7
337.12173	1.7
338.13831	100.0
427.79932	0.2
439.53937	0.2
532.19312	0.3
706.23615	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11419	0.3
52.83824	0.3
52.93313	0.3
61.17405	0.3
61.37633	0.3
62.12962	0.3
70.37300	0.3
71.60040	0.3
74.96598	0.3
82.22673	0.3
85.29712	0.3
85.55390	0.3
86.02381	0.3
90.90295	0.3
92.21521	0.7
115.29415	0.4
136.83569	0.4
137.64548	0.4
147.07372	0.4
180.74800	0.4
276.06348	0.4
290.08041	9.3
292.08932	0.6
302.08057	2.0
304.05991	7.8
304.09088	0.5
318.07538	11.8
319.08344	54.5
320.08786	3.5
321.09045	4.1
322.09332	3.1
334.10690	100.0
335.10983	5.5
336.11441	8.1
337.11960	5.7
338.12833	3.2
393.54837	0.4
550.56036	0.5
702.55823	0.4
706.24585	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53415	0.2
60.95641	0.2
63.14910	0.2
68.27242	0.2
71.40436	0.2
78.32136	0.2
79.00200	0.2
99.04356	0.3
106.63451	0.2
116.73434	0.2
119.28702	0.2
165.04684	0.3
193.95596	0.2
198.95735	0.3
280.09552	0.2
290.08231	1.7
294.11237	9.5
302.08304	0.4
304.06088	1.9
306.11356	1.6
308.09180	4.4
309.09866	0.3
318.07745	2.5
319.08380	10.6
320.09174	0.8
322.10721	12.1
323.11505	30.6
334.10724	22.5
335.10925	0.5
336.12106	0.9
337.12616	1.0
338.13846	100.0
366.64285	0.2
410.06433	0.8
428.07855	0.4
516.15369	0.4
531.18976	0.3
532.18817	1.4
614.83307	0.3
706.24176	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95004	0.3
55.71766	0.3
56.13812	0.3
75.20885	0.4
122.09189	0.3
141.48955	0.3
171.49124	0.4
182.68291	0.3
189.53371	0.5
200.17242	0.4
290.08054	9.1
294.11218	1.8
302.08286	2.8
304.06012	9.1
308.08960	0.5
318.07626	12.0
319.08368	52.7
320.08994	1.4
321.09692	0.5
322.10858	0.8
323.11487	4.5
326.11508	0.4
334.10712	100.0
336.11972	1.7
337.12665	1.9
338.13812	14.5
446.64346	0.4
501.62708	0.4
706.24847	43.7
719.82703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
82.74802	0.4
88.22596	0.4
88.84110	0.4
94.48476	0.3
137.05869	0.5
140.87216	0.5
229.76501	0.5
290.05109	0.4
290.08142	9.9
292.31070	0.4
294.04636	0.5
302.08102	3.5
304.06036	9.7
318.07608	13.7
319.08377	50.4
320.09140	1.9
322.07050	0.7
334.10721	100.0
335.11191	1.0
336.12317	4.2
338.10129	1.7
338.13950	0.6
339.10577	0.6
350.09955	0.5
534.01807	0.5
706.26489	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
82.74802	0.4
88.22596	0.4
88.84110	0.4
94.48476	0.3
137.05869	0.5
140.87216	0.5
229.76501	0.5
290.05109	0.4
290.08142	9.9
292.31070	0.4
294.04636	0.5
302.08102	3.5
304.06036	9.7
318.07608	13.7
319.08377	50.4
320.09140	1.9
322.07050	0.7
334.10721	100.0
335.11191	1.0
336.12317	4.2
338.10129	1.7
338.13950	0.6
339.10577	0.6
350.09955	0.5
534.01807	0.5
706.26489	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.6
59.01451	0.5
63.56227	0.5
67.59296	0.5
70.88634	0.6
73.63130	0.5
78.57340	0.6
88.70804	0.5
195.87277	0.7
290.08051	12.0
302.08179	2.4
304.06042	10.6
318.07532	12.2
319.08377	57.5
320.09146	14.5
321.09695	1.1
322.10831	1.2
323.11145	1.2
324.11942	0.6
334.10721	100.0
336.12183	2.9
337.12573	1.1
338.13690	1.2
339.14035	0.8
427.39081	0.6
450.81491	0.6
489.62891	0.6
676.03345	0.7
706.26544	47.4
732.63733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47667	0.2
67.24487	0.3
68.99947	0.3
72.85431	0.3
81.06993	0.4
93.06962	0.3
93.09285	0.3
95.04922	0.4
98.58969	0.3
99.04399	0.8
101.56032	0.3
112.63842	0.3
121.06470	0.4
145.19997	0.3
180.43231	0.4
292.09689	8.4
304.09570	0.7
306.07565	2.9
320.09167	7.5
321.09943	27.9
334.10605	0.6
336.12277	100.0
337.12897	0.5
365.22733	0.4
706.32190	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14413	0.4
60.48337	0.5
62.56156	0.5
73.21664	0.5
73.76223	0.5
93.07036	0.7
95.08627	0.6
99.04449	3.4
101.06013	0.8
112.26745	0.6
120.43205	0.5
121.06505	1.2
130.02527	0.6
206.56853	0.6
237.16055	0.5
292.09647	6.9
304.09882	0.7
306.07419	0.9
320.09158	9.9
321.09927	29.2
334.10580	1.2
336.12268	100.0
337.12671	0.9
353.11868	0.6
368.58664	0.6
370.19962	0.6
461.16898	0.6
706.32513	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45883	0.2
51.79253	0.2
56.89325	0.2
57.20581	0.2
64.04099	0.2
69.72098	0.2
83.54767	0.2
105.72187	0.2
170.93520	0.3
202.21098	0.3
234.44165	0.3
235.92854	0.3
241.89485	0.3
290.08084	5.8
302.08066	2.2
304.06027	5.4
305.06165	0.4
313.14981	0.3
318.07602	7.3
319.08377	36.2
320.08871	3.5
321.09274	1.2
330.12003	0.3
334.10721	100.0
335.07236	0.3
335.11017	6.3
336.11713	3.7
338.13754	0.5
350.10138	0.4
514.16974	0.3
561.76312	0.3
599.19531	0.3
706.22192	6.3
706.31921	12.8
706.50201	0.3
706.72711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09850	0.4
56.25087	0.5
57.03444	1.2
57.28106	0.5
58.06605	0.5
61.02934	11.1
69.03434	3.4
70.06590	3.1
70.95278	0.5
71.05010	0.8
73.02920	7.0
81.03445	2.3
85.02908	12.8
86.09708	0.7
87.04488	0.6
91.03953	11.2
93.07025	0.8
95.08627	2.6
97.02882	10.7
97.27037	0.7
99.04474	2.3
101.02402	0.7
106.74481	0.6
109.02890	2.1
120.08107	1.0
120.67651	0.8
121.06556	1.1
123.04424	1.0
127.03927	3.7
135.04475	0.7
137.05969	6.7
137.09680	0.8
145.05017	0.9
145.06512	0.8
147.04396	8.3
149.05968	14.2
151.07619	1.0
154.08665	1.1
161.05942	4.1
163.07503	4.8
164.07091	2.3
165.05524	3.2
166.08623	4.4
173.05978	8.4
175.07527	7.5
177.09132	0.8
187.07607	2.3
189.09187	3.0
199.07588	2.4
201.21791	0.5
213.09148	1.4
218.64252	0.6
237.12738	1.3
245.15472	0.6
255.13774	6.3
263.09323	0.6
273.14795	14.1
273.17340	0.6
290.17502	9.0
291.16040	3.2
308.18643	0.6
329.17535	0.6
364.21390	3.6
365.19504	5.0
380.20871	1.3
382.22220	45.9
400.83646	0.7
544.27698	5.1
569.93146	0.6
706.32916	100.0
706.58850	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.15066	0.3
94.91997	0.3
95.64474	0.4
115.22192	0.3
186.13364	0.4
195.11241	0.5
195.90936	0.4
292.09650	1.6
306.02283	0.4
319.08466	0.7
320.09167	100.0
321.09497	0.6
334.10593	0.9
336.12454	4.5
337.12643	0.6
338.13861	0.5
617.75073	0.4
662.84570	0.4
706.35986	33.5
739.16968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95530	0.4
52.45637	0.4
55.05503	2.1
57.07079	32.6
58.06589	0.6
58.56647	0.5
60.57671	0.4
67.05177	0.7
67.05508	12.0
69.07061	3.2
71.01342	0.7
71.04980	0.7
71.08631	40.7
74.24368	0.4
79.05496	2.0
81.07058	23.0
83.04996	0.8
83.08605	2.8
85.06529	1.2
93.07030	4.7
95.08607	10.3
97.06505	0.7
97.10142	2.4
99.08100	0.9
105.07011	1.2
107.08583	2.9
109.10162	5.3
111.08094	0.6
111.11729	0.7
114.12952	0.5
116.56908	0.5
119.08556	2.1
120.97820	0.6
121.10134	15.1
123.08081	7.7
123.11708	11.6
131.08604	1.0
133.10133	0.6
135.11661	3.9
137.13258	1.0
139.11174	7.8
141.12743	45.9
145.10120	0.8
149.09618	0.8
149.13237	0.8
150.42456	0.6
151.14787	0.8
153.12726	0.5
156.13817	3.4
156.63174	0.6
159.13806	1.0
165.16348	0.6
169.15852	7.7
174.05463	0.7
181.15874	2.9
183.13785	26.8
184.70033	0.6
187.67265	0.5
195.17390	1.1
229.62425	0.6
233.22563	1.1
243.21080	2.3
251.23630	5.1
261.22125	4.2
278.24683	1.1
279.23160	18.0
296.25824	100.0
299.71918	0.5
306.07520	2.0
320.08929	1.1
321.09836	2.2
322.10611	0.7
324.08838	0.8
334.10709	1.2
336.12256	4.0
338.09970	0.7
339.11014	2.4
365.83948	0.6
392.43719	0.5
393.44046	0.5
706.36328	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21230	0.5
55.01881	6.0
55.05511	4.2
57.03456	0.8
57.07069	3.9
59.04973	0.6
59.71027	0.7
67.05173	0.9
67.05511	13.6
69.07075	23.5
71.04988	1.0
71.08629	3.0
71.23219	0.7
71.42390	0.6
79.05490	4.8
81.07056	16.5
83.04984	3.9
83.08621	13.8
85.06566	1.1
85.10197	1.0
86.47429	0.7
91.05457	0.8
93.07037	12.7
95.04959	0.8
95.08600	18.1
97.06518	4.2
97.10175	4.2
99.17247	0.7
105.07011	1.4
107.08582	13.4
109.06519	0.7
109.10154	15.0
111.08051	3.6
112.08569	0.8
112.53756	0.7
113.09638	1.0
119.08598	2.5
121.10146	11.9
123.11732	6.3
125.09624	1.7
131.08569	1.5
133.10106	1.3
135.08051	3.3
135.11688	18.7
135.50386	0.8
137.09575	1.5
137.13246	4.5
139.11061	0.8
145.10123	1.1
147.11697	0.9
149.09639	2.9
149.13234	6.0
151.14835	1.5
153.09082	1.1
153.12738	38.5
159.11678	1.6
161.13239	1.3
163.11165	2.8
163.14798	1.4
170.11761	1.7
170.14600	0.7
173.11661	1.4
173.13106	1.3
181.12167	1.3
181.15810	1.3
187.14796	1.0
209.15408	1.1
219.20992	2.8
233.22623	4.3
243.21007	4.1
251.23674	4.6
261.22119	9.1
276.04630	0.7
279.23181	22.7
296.25836	100.0
320.44949	0.7
321.09955	1.2
322.10403	0.9
334.10733	0.8
336.12268	4.4
338.13901	1.5
487.73529	0.8
630.55597	0.8
705.66718	0.9
706.37970	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68657	1.2
51.27869	1.3
54.75454	1.3
55.01873	7.5
55.05527	2.1
57.07083	3.8
57.37078	1.3
58.79236	1.4
59.37955	1.5
67.05201	2.0
67.05505	15.1
69.07074	22.9
71.08604	2.1
79.05521	5.3
80.75677	1.4
81.07059	18.7
83.08634	12.3
83.48267	1.3
87.01289	1.6
92.21559	2.2
93.07041	8.6
95.08609	19.2
97.06506	2.4
97.10149	6.8
107.08556	12.8
109.10169	16.6
113.09686	1.7
119.08590	2.1
121.10149	10.7
123.11720	2.2
125.09625	1.7
131.08578	2.9
135.08060	5.8
135.11676	18.6
137.09557	1.8
149.09666	2.3
149.13252	3.3
151.14786	1.7
153.12740	37.8
161.13298	2.0
163.14809	2.5
170.11671	2.3
187.14912	1.6
192.72212	1.5
219.21117	1.8
233.22612	6.7
243.21089	2.4
251.23630	2.0
261.22162	9.7
272.12909	1.6
279.23172	25.7
292.16882	1.7
296.25821	100.0
336.12219	6.6
382.96124	1.6
529.60736	1.9
706.38977	6.4
725.78442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68739	0.7
54.45807	0.7
57.94838	0.7
58.06596	1.3
69.03825	0.8
87.14025	0.7
116.04972	1.9
134.88306	0.8
142.98561	0.9
144.04449	4.7
146.05980	1.0
147.04424	5.6
174.05493	88.4
176.07063	9.6
181.05017	2.9
182.80603	1.1
185.30984	0.9
192.06567	1.5
216.19283	1.0
244.39388	0.8
248.04739	0.9
258.81384	1.0
294.07526	1.0
295.08517	1.9
296.09207	3.9
308.05615	1.1
311.09235	1.9
312.08691	1.4
313.09595	2.0
320.09128	1.5
321.09854	1.6
324.08676	17.9
325.09412	7.3
328.11975	10.2
334.10883	1.3
336.08688	1.2
336.12283	6.3
337.12604	4.9
338.09998	4.2
338.13748	1.3
352.08127	3.5
356.11255	100.0
672.60071	1.0
707.23016	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75957	0.6
56.51180	0.6
65.62376	0.7
66.88943	0.7
67.68890	0.8
94.11377	0.7
94.81112	0.8
100.15041	0.7
115.40114	0.7
119.01974	0.9
128.38199	0.8
143.01889	9.8
152.02394	0.9
155.01886	4.8
161.02936	6.5
164.52798	0.9
167.01894	1.5
173.02910	8.8
182.03433	0.8
185.02927	13.4
185.04271	1.2
187.04593	0.9
193.03615	0.9
197.02916	4.3
203.03828	7.0
215.04016	4.8
227.04025	4.4
245.05042	100.0
257.04932	6.1
263.06046	12.3
275.06128	9.2
285.10385	0.9
293.07254	1.9
305.07181	7.2
335.08182	2.7
365.09494	17.2
383.10437	0.9
425.11444	26.4
455.12408	6.2
472.39526	0.8
485.13589	6.3
527.14362	1.4
545.15253	1.2
568.81293	0.9
707.18616	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07570	0.2
69.66126	0.2
94.61831	0.2
104.68570	0.3
161.06021	0.3
224.73938	0.3
277.10843	0.3
278.11044	0.3
290.08115	0.5
291.08499	1.0
294.11234	9.5
295.11533	8.0
295.14682	0.2
299.65466	0.3
305.06427	0.5
306.11234	1.7
307.08316	0.3
307.11551	2.2
308.09216	4.0
309.09595	3.9
318.07614	1.3
319.08316	5.0
320.08771	3.6
321.09311	1.9
322.10742	10.7
323.11395	38.5
324.11841	30.7
334.10818	5.4
335.11102	6.4
336.11676	3.2
337.11926	3.2
338.13846	85.2
339.14185	100.0
460.97729	0.3
561.91901	0.3
707.24756	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66913	1.1
55.25288	1.4
72.48596	1.3
81.07077	1.8
152.61566	1.5
166.77972	1.7
173.85736	1.6
202.29753	1.4
233.98218	1.4
273.55383	1.7
291.24976	1.9
439.16809	1.6
444.23495	2.0
457.23993	1.8
458.24857	1.7
459.21732	7.0
472.22607	6.0
473.23233	17.3
475.20627	2.5
476.22424	2.6
485.23526	23.0
486.20209	2.1
487.25238	3.4
489.22824	11.9
499.21133	3.1
500.22366	2.5
503.24316	14.2
504.25143	2.5
513.22894	2.6
515.24957	10.7
531.23749	24.5
532.48132	1.7
559.23297	2.4
629.27606	35.2
657.26984	10.7
674.61780	2.0
689.29736	47.2
707.30762	100.0
707.50598	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51460	4.0
104.75732	4.2
166.67949	5.5
252.21114	5.2
338.58865	4.8
485.23477	7.2
503.24744	6.6
531.23907	7.7
554.46417	5.6
605.20300	5.5
629.27295	22.1
707.30890	100.0
707.52155	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26008	1.0
51.90741	1.0
55.05515	1.8
57.03446	2.0
61.02933	5.7
62.18359	1.1
67.05504	5.0
69.03439	1.5
69.07079	1.2
73.02920	3.0
74.76022	1.2
79.05499	1.8
81.07083	9.0
81.07514	1.1
83.05042	1.2
85.02927	2.9
91.03944	6.5
91.05502	1.9
92.21486	1.7
93.07053	7.3
95.08613	6.4
97.02892	6.8
97.10167	1.5
105.07056	2.2
107.08607	2.1
109.10127	1.9
119.08578	1.4
121.10156	1.2
127.03911	1.2
189.11182	1.3
189.93971	1.4
211.09396	1.3
243.08461	2.1
301.69781	1.3
429.17255	6.0
437.83304	1.4
512.53693	1.3
514.37085	1.6
519.29352	6.6
609.44366	1.7
707.39691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72907	1.0
61.28456	1.2
68.49900	1.2
85.65013	1.1
128.01715	1.3
137.31894	1.5
155.45737	1.4
272.81958	1.3
277.70587	1.2
307.13309	1.3
309.20276	20.1
339.29120	1.8
707.50671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04572	1.8
64.04127	2.1
68.24407	1.8
97.06567	2.1
104.73599	1.8
120.72488	1.9
160.41415	2.0
186.51591	2.2
270.10165	1.9
293.20950	4.3
338.11130	2.3
437.28763	4.2
515.18774	2.1
553.51764	2.2
707.50598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63674	0.4
62.79361	0.3
68.31104	0.4
69.61232	0.4
81.03433	0.4
85.02912	0.5
160.03981	2.3
165.05508	6.6
166.85490	0.5
177.05457	0.5
178.04999	22.2
206.04495	2.6
207.06607	0.6
217.88069	0.5
252.06699	0.7
258.80713	0.4
264.06674	0.8
274.18909	0.5
278.08194	2.5
280.06003	1.1
285.07663	0.8
290.08093	0.6
291.05460	0.7
292.06067	1.7
304.05878	0.6
306.07513	4.5
308.05505	2.5
309.06390	0.5
318.07663	0.8
319.04764	1.8
319.08438	4.7
320.05704	0.8
320.09082	4.9
321.09866	4.5
324.08420	0.7
334.07043	5.7
334.10757	11.7
335.07748	0.7
336.05380	0.7
336.12283	7.7
337.05850	7.5
337.12582	0.9
339.13895	0.5
352.08160	100.0
370.09216	54.8
708.18567	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08172	0.9
54.77224	0.9
66.89158	1.1
68.12799	1.2
93.59962	1.1
99.04449	1.8
106.16849	1.0
114.31320	1.1
126.97122	1.1
167.07034	4.9
181.08565	1.5
182.09422	5.2
191.07083	5.4
192.07858	5.6
210.08891	5.2
290.08139	5.2
292.09671	2.4
294.07663	1.3
304.06143	2.8
306.07727	2.3
307.08426	2.0
308.05542	6.4
308.09207	22.8
318.07623	7.5
319.08331	30.5
320.09131	73.2
321.09869	2.5
322.07101	13.9
322.10858	5.8
323.07819	1.5
334.06818	2.2
334.10748	55.5
335.11093	8.0
336.08704	2.3
336.12158	13.7
351.07455	1.4
353.13998	4.4
364.08340	1.8
366.09839	6.0
432.20526	1.3
437.09271	1.2
443.95081	1.2
498.11685	23.4
513.14026	13.5
516.12799	19.5
531.15277	27.5
546.17377	15.5
591.23010	1.6
708.22968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03318	0.7
67.01994	0.6
69.03434	0.7
85.02917	1.2
91.05524	1.1
91.13118	0.8
108.03979	0.7
119.04881	0.8
137.06003	1.6
147.04414	1.8
205.05170	0.8
207.06522	1.3
223.06152	1.5
275.95126	0.8
290.08072	1.5
302.08179	0.8
304.06006	3.7
308.09167	20.6
317.34369	0.9
318.07761	4.2
319.08386	15.8
320.05576	2.4
320.09079	18.5
321.09586	3.5
322.10278	1.0
327.09119	1.2
334.10736	22.9
335.07831	4.0
335.11185	4.9
336.08609	56.5
336.12112	7.9
340.06128	1.3
350.10233	5.0
354.08002	1.0
355.08316	1.7
358.07315	3.6
360.08777	7.0
364.08475	1.6
372.08957	1.3
383.07718	5.1
384.08728	12.5
386.10330	4.5
393.06113	0.9
400.08160	0.9
401.12405	4.7
411.07452	9.7
414.06177	1.5
416.07297	2.4
418.12830	11.1
426.09637	25.3
444.10785	7.8
708.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05292	0.7
61.00142	0.7
70.23232	1.0
76.02515	0.8
76.34013	0.8
100.59943	0.9
135.59818	0.9
167.06981	1.2
186.53957	1.0
296.09268	3.8
307.08762	1.9
310.07065	31.6
319.08521	1.1
320.09058	12.3
321.09933	3.9
324.08539	1.1
325.09442	100.0
334.10559	6.3
336.12357	7.7
340.11795	68.9
372.25735	0.9
414.21994	1.0
500.16821	1.3
514.18634	5.0
708.22809	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25745	0.9
68.55839	1.0
84.98267	1.0
214.85684	1.3
246.36212	1.3
290.08020	2.1
292.09680	5.2
304.05911	2.0
306.07635	4.9
308.05844	1.1
308.09052	8.2
311.56494	1.2
318.07635	5.1
319.08313	20.0
320.09158	100.0
321.09943	13.2
322.10574	5.9
323.11435	4.4
334.06946	2.6
334.10684	36.2
335.07870	3.9
335.11469	13.5
336.08609	3.4
336.12222	29.3
340.33841	1.1
350.10214	15.7
470.15933	11.5
498.15399	18.7
500.16968	7.3
501.17484	4.9
529.17261	14.0
662.20160	5.0
676.21521	1.7
708.24701	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25745	0.9
68.55839	1.0
84.98267	1.0
214.85684	1.3
246.36212	1.3
290.08020	2.1
292.09680	5.2
304.05911	2.0
306.07635	4.9
308.05844	1.1
308.09052	8.2
311.56494	1.2
318.07635	5.1
319.08313	20.0
320.09158	100.0
321.09943	13.2
322.10574	5.9
323.11435	4.4
334.06946	2.6
334.10684	36.2
335.07870	3.9
335.11469	13.5
336.08609	3.4
336.12222	29.3
340.33841	1.1
350.10214	15.7
470.15933	11.5
498.15399	18.7
500.16968	7.3
501.17484	4.9
529.17261	14.0
662.20160	5.0
676.21521	1.7
708.24701	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12590	0.7
69.03429	0.9
75.03040	1.0
78.78860	0.9
81.03355	0.9
86.09686	0.9
92.21437	1.1
104.56018	0.9
112.89175	0.8
121.06489	1.0
127.55710	1.0
168.13753	1.1
177.57024	1.1
182.09477	1.4
191.07127	1.3
210.08920	1.7
230.66983	1.0
274.66693	0.9
290.08099	10.5
292.09830	4.1
293.06949	1.1
302.08221	1.2
304.06094	8.6
308.05914	1.4
308.09158	7.3
318.07590	17.6
319.08359	52.5
320.09158	100.0
320.60132	1.0
321.09799	5.3
322.07095	7.0
322.10574	1.5
334.10724	94.8
335.11395	9.9
336.12195	12.2
498.12003	7.0
512.17236	1.4
513.14319	4.0
516.12933	5.6
531.14990	7.6
546.17694	3.7
708.23743	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86103	0.8
58.57794	0.7
66.35575	0.7
80.08980	0.9
99.04458	0.8
139.56111	0.8
212.72597	0.7
230.70055	0.9
290.08365	1.2
308.09259	1.5
318.07669	1.1
319.08386	8.9
320.09137	8.9
321.09564	1.4
322.10687	1.7
334.10703	13.7
335.11215	3.7
336.12228	14.2
337.13065	1.6
338.13535	2.5
441.40164	0.9
442.12128	1.0
444.14673	1.0
456.14444	1.7
458.16074	1.4
473.14935	1.0
484.18042	0.9
488.17181	6.5
500.17160	1.2
516.19971	1.6
632.20111	1.1
646.21564	2.3
650.20038	5.1
658.21436	1.2
660.18884	1.4
662.20245	1.3
664.21356	6.3
674.19580	3.7
676.21484	10.2
678.19647	16.6
692.21429	15.4
693.21606	1.2
708.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32464	0.3
50.33692	0.2
51.25735	0.2
52.74109	0.3
58.06674	0.3
60.38096	0.2
62.35144	0.3
73.56744	0.3
81.23647	0.3
83.67535	0.2
94.24301	0.3
103.64495	0.3
120.76260	0.3
129.13287	0.3
143.94914	0.3
148.34537	0.3
190.05086	0.4
226.24997	0.3
290.08029	2.3
291.08282	2.2
292.09464	2.0
294.11328	1.3
295.11987	0.3
303.08463	0.4
304.06110	1.9
305.06476	1.3
306.06851	0.6
308.09384	0.4
308.12787	1.5
318.07596	2.7
319.08340	14.1
319.11972	0.6
320.08939	24.6
321.09332	10.2
322.10706	0.4
323.11240	0.4
324.11996	1.3
334.07108	0.4
334.10715	22.0
335.11029	20.7
336.12228	100.0
337.12851	0.5
338.13824	1.7
339.14203	2.3
340.14468	1.7
352.15457	3.2
610.13843	0.4
708.22314	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57508	0.2
51.23796	0.2
85.08004	0.2
119.54554	0.2
125.12724	0.2
146.33412	0.2
184.16994	0.2
278.07730	0.2
289.77121	0.2
292.09683	8.5
292.12939	0.3
304.09482	1.6
306.07611	3.1
320.09183	11.0
321.09937	27.1
334.10721	0.4
335.11206	0.2
336.12274	100.0
708.26373	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18330	0.1
54.84537	0.1
57.31136	0.1
60.01519	0.1
61.86826	0.1
62.35834	0.1
64.38924	0.1
64.69749	0.1
68.19427	0.1
102.56055	0.1
135.67094	0.1
166.31598	0.1
198.58615	0.1
198.60498	0.1
213.28569	0.1
234.35852	0.1
246.47581	0.1
291.08850	0.2
292.09607	2.1
293.10440	0.2
306.07428	0.2
308.12753	1.4
319.08301	0.2
320.09177	8.6
321.09943	5.1
334.10629	0.6
336.12283	100.0
338.10025	0.2
352.15411	0.4
428.83801	0.1
467.09622	0.1
708.26630	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28296	0.1
58.25417	0.1
61.76687	0.1
98.63638	0.1
114.35188	0.1
117.06381	0.1
150.19991	0.1
172.02249	0.1
180.15002	0.1
291.08820	0.2
292.09647	2.0
293.10388	0.2
306.07617	0.3
308.12683	1.1
319.08353	0.2
320.09152	9.9
321.09937	4.9
334.10736	0.5
335.11127	0.3
336.12274	100.0
338.13742	0.1
432.07126	0.1
509.69794	0.1
708.26550	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39140	0.1
64.01390	0.1
67.14176	0.1
76.15581	0.1
78.14658	0.1
86.80086	0.1
88.96754	0.1
92.27056	0.1
104.72575	0.1
123.05737	0.1
130.37741	0.1
291.08749	0.3
292.09653	2.3
293.10229	0.2
306.07233	0.2
308.09644	0.2
308.12790	1.4
320.09177	9.1
321.09921	5.2
336.12302	100.0
541.01099	0.2
602.58026	0.2
657.81458	0.1
708.26495	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43570	0.1
72.15157	0.2
74.59068	0.2
88.01157	0.2
94.54925	0.2
99.04485	0.2
135.11650	0.2
215.23703	0.2
252.32254	0.2
292.09586	1.9
294.11200	0.3
295.11575	0.4
306.07715	0.2
308.12732	1.3
319.08209	0.8
320.09164	9.3
321.09918	5.8
322.10550	0.4
323.11417	1.2
324.11749	1.5
325.12091	0.7
334.10638	1.6
335.11105	0.4
336.12283	100.0
337.12714	0.2
338.13855	2.9
339.14172	3.2
340.14566	2.2
343.18561	0.2
352.15326	0.3
354.21628	0.2
358.53116	0.2
400.08493	0.3
462.08054	0.3
708.26648	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.264
Annotation	Unknow
Peak:m/z	Relative Intensity
168.18318	0.2
190.13148	0.2
195.75549	0.2
206.11707	1.1
207.12093	0.2
214.65460	0.2
240.62782	0.2
281.89944	0.2
292.09589	2.8
306.07739	0.3
308.12701	1.3
319.08386	1.1
320.09134	11.1
321.09952	6.2
334.10785	1.8
335.11273	2.2
336.12292	100.0
370.20236	0.3
371.20569	0.8
546.17761	0.3
708.26447	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43570	0.1
72.15157	0.2
74.59068	0.2
88.01157	0.2
94.54925	0.2
99.04485	0.2
135.11650	0.2
215.23703	0.2
252.32254	0.2
292.09586	1.9
294.11200	0.3
295.11575	0.4
306.07715	0.2
308.12732	1.3
319.08209	0.8
320.09164	9.3
321.09918	5.8
322.10550	0.4
323.11417	1.2
324.11749	1.5
325.12091	0.7
334.10638	1.6
335.11105	0.4
336.12283	100.0
337.12714	0.2
338.13855	2.9
339.14172	3.2
340.14566	2.2
343.18561	0.2
352.15326	0.3
354.21628	0.2
358.53116	0.2
400.08493	0.3
462.08054	0.3
708.26648	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.264
Annotation	Unknow
Peak:m/z	Relative Intensity
168.18318	0.2
190.13148	0.2
195.75549	0.2
206.11707	1.1
207.12093	0.2
214.65460	0.2
240.62782	0.2
281.89944	0.2
292.09589	2.8
306.07739	0.3
308.12701	1.3
319.08386	1.1
320.09134	11.1
321.09952	6.2
334.10785	1.8
335.11273	2.2
336.12292	100.0
370.20236	0.3
371.20569	0.8
546.17761	0.3
708.26447	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61361	1.2
54.68580	1.3
64.25410	1.2
65.98453	1.3
79.36921	1.6
87.13383	1.3
90.83913	1.4
91.02142	1.2
103.05485	1.5
103.80445	1.5
105.07018	1.6
107.04944	12.7
131.04929	8.6
133.06447	2.4
145.06520	2.1
161.05952	6.0
166.47939	2.0
167.07013	59.3
180.98055	1.6
191.07011	35.1
199.07541	33.9
217.12860	1.6
218.04694	1.4
219.08104	1.8
233.09587	15.5
260.08331	1.4
261.09073	25.8
275.10941	2.2
278.00977	1.7
278.09354	8.9
288.07858	2.3
289.08536	49.9
290.09494	11.4
293.11826	11.9
302.08215	1.8
304.06146	2.3
306.08899	12.9
307.09598	1.9
318.07471	6.2
319.08395	36.6
320.09119	49.4
321.11209	48.4
322.11929	7.6
334.10709	54.7
335.11298	5.8
336.12180	8.1
353.13785	100.0
413.16037	20.3
420.85416	1.5
577.38977	1.7
708.23962	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76789	3.3
59.41422	2.7
63.85541	2.9
65.46536	3.5
67.05502	8.6
69.07077	3.5
70.33197	3.7
70.80746	4.7
71.95384	3.4
73.02921	23.3
79.05497	9.6
81.03428	22.3
81.07043	19.0
83.04967	5.9
84.53780	3.0
85.02878	13.1
91.05450	7.0
93.07058	21.1
95.08587	6.9
97.02893	6.2
99.04456	100.0
105.07043	7.8
107.08624	7.5
108.04504	5.6
109.10132	4.4
111.04398	4.7
119.08592	3.8
121.10146	9.3
122.47451	4.6
127.03876	8.1
133.10121	7.2
135.11690	6.4
141.05556	4.8
147.11734	4.8
238.12242	4.0
243.08713	7.3
279.08585	18.9
485.28656	5.8
635.94366	4.9
691.34210	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89410	1.2
82.39033	1.3
102.69966	1.3
289.83035	1.5
320.08905	1.8
334.10745	2.7
344.05209	10.6
358.06912	5.6
359.07660	9.1
374.04254	100.0
374.09753	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66968	0.8
63.70964	0.8
64.39751	0.9
76.71734	0.9
91.72250	1.0
92.20929	1.6
97.63879	0.9
138.27403	0.9
211.80168	1.0
225.96901	1.1
244.02692	1.0
321.09949	1.1
328.07886	1.2
343.10321	5.9
344.05310	49.6
358.06845	36.9
358.11948	1.0
358.13000	0.9
359.07611	38.8
374.09985	100.0
433.33109	1.1
484.29843	1.1
698.25275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95805	0.3
99.04446	4.8
117.05519	0.5
118.06541	2.6
121.06489	0.4
132.08086	2.6
137.05984	0.4
142.06441	0.4
143.07294	0.3
144.08092	6.3
146.06001	35.5
149.06003	0.6
157.97002	0.3
159.09166	5.1
160.07524	0.3
165.05458	0.3
167.07022	8.6
170.06017	2.1
177.05486	5.2
188.07056	100.0
197.08063	1.9
205.09712	28.7
209.08076	1.6
227.09125	9.5
261.09647	1.2
473.71674	0.3
631.89502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31765	1.3
55.05497	1.9
58.55104	1.5
59.89450	1.5
61.31525	1.5
65.55879	1.3
67.05502	3.0
70.33774	1.6
71.01796	1.5
81.07055	2.4
90.04612	1.6
93.07039	6.6
95.04916	1.7
95.08562	2.9
100.70867	1.5
105.07027	1.7
107.08588	2.1
119.62604	1.6
121.75740	1.6
133.10155	2.8
135.03467	1.8
163.22498	1.9
308.95193	1.8
334.88962	1.7
391.19366	1.9
392.87231	1.9
447.21848	3.8
460.22565	10.6
461.23459	7.2
505.22256	3.3
533.25476	69.7
561.25018	3.3
593.19373	2.5
593.27728	52.5
611.46375	7.9
649.26477	2.4
709.28534	100.0
709.46924	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98394	0.7
57.55738	0.7
61.62972	0.8
68.89623	0.9
84.46935	0.8
89.54800	0.8
94.40031	1.0
194.85439	1.1
277.45065	0.8
328.43088	1.2
420.23233	4.0
421.23965	3.5
433.23911	1.9
451.21338	5.9
452.22293	1.7
465.22830	21.4
466.23801	1.3
475.21503	1.2
475.24893	0.9
477.22305	1.2
478.23950	1.8
479.24472	1.2
487.21240	1.2
491.21051	3.7
492.21356	1.4
493.26312	8.3
494.26849	1.0
501.22787	4.1
502.23517	1.7
503.24466	22.0
504.24796	3.1
521.25525	7.9
523.23505	4.8
537.24908	14.6
538.25677	5.2
539.26752	1.2
547.23224	8.2
565.24512	7.4
577.31860	1.5
593.28387	1.1
605.31366	1.5
607.29053	3.6
622.31384	4.2
691.31433	6.4
709.32330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29084	0.2
55.75160	0.2
65.13602	0.2
76.61571	0.2
175.03885	0.3
290.08078	0.3
292.09689	3.8
304.06528	0.3
316.04556	0.2
318.07684	0.5
319.08350	0.5
320.09155	100.0
321.09421	0.3
334.10812	1.9
336.12335	1.3
371.26575	0.2
413.08932	0.3
428.11328	0.4
710.23474	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29084	0.2
55.75160	0.2
65.13602	0.2
76.61571	0.2
175.03885	0.3
290.08078	0.3
292.09689	3.8
304.06528	0.3
316.04556	0.2
318.07684	0.5
319.08350	0.5
320.09155	100.0
321.09421	0.3
334.10812	1.9
336.12335	1.3
371.26575	0.2
413.08932	0.3
428.11328	0.4
710.23474	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02142	0.9
60.08213	0.8
60.36388	1.1
77.27463	1.0
85.02948	0.9
123.61472	1.0
160.05231	1.5
167.07042	1.5
177.05531	1.7
182.09427	5.3
191.07109	4.3
192.07794	13.3
210.08875	5.0
280.06149	2.3
292.09613	2.0
295.08340	12.0
306.07614	1.4
309.09970	1.4
310.10715	30.7
320.09186	23.9
321.09967	5.3
322.10904	4.6
323.11508	1.2
324.08795	4.9
334.10696	3.7
336.12259	12.1
337.12833	1.3
338.10312	11.0
338.13782	3.8
366.09708	22.5
366.13565	1.4
500.12930	10.4
509.90591	1.2
515.15863	12.5
518.14880	2.4
533.16809	13.4
548.19293	19.1
625.87457	1.3
710.24420	100.0
727.69305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83378	0.5
60.93637	0.6
64.74129	0.6
65.07564	0.6
67.88997	0.7
67.92934	0.6
81.03439	1.2
91.05501	1.2
119.04961	3.7
135.04422	7.3
137.05997	2.9
147.04417	6.2
149.05997	9.6
163.03903	1.5
167.07028	0.8
175.03906	23.1
175.06281	1.0
177.05496	1.1
178.08691	3.6
183.14967	1.1
188.07056	39.1
188.08664	1.3
189.07851	22.0
190.08614	8.6
195.08107	1.1
205.08719	0.9
206.08110	18.0
207.06512	34.2
235.07436	1.4
247.07584	4.1
253.08469	0.8
255.06616	0.8
275.07047	6.1
279.35416	0.8
293.08112	3.4
294.11118	0.9
311.09061	2.6
319.08542	1.0
320.09247	5.7
321.09842	1.1
324.12326	12.4
334.10822	1.5
336.12219	5.5
342.13370	44.0
390.44119	0.9
500.13364	1.1
600.09766	0.8
710.24414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37840	0.3
55.29501	0.4
61.81187	0.4
66.66286	0.4
82.50966	0.4
86.74644	0.5
119.04926	0.5
224.49519	0.5
279.41272	0.5
290.08054	7.4
292.09686	1.0
302.08133	2.2
304.06116	5.2
318.07562	7.7
319.08389	52.5
320.05334	1.0
320.09143	25.2
321.09695	0.7
322.10675	2.0
329.10916	0.9
334.10736	100.0
335.11139	1.1
336.12225	11.0
337.12762	1.0
338.13712	1.8
357.09750	0.6
362.10291	0.7
372.12338	1.8
386.10095	2.8
413.08905	1.8
420.14319	1.9
428.11273	3.8
446.12302	2.1
628.08380	0.5
710.24432	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85826	0.3
58.00645	0.3
60.04826	0.4
63.38372	0.3
79.59340	0.3
80.85996	0.3
125.90348	0.3
126.00996	0.4
127.84368	0.4
129.52521	0.4
138.74498	0.3
178.02779	0.4
213.21469	0.4
266.05225	0.4
276.06464	0.6
290.08109	9.5
302.08087	2.2
304.06039	7.4
318.07587	10.8
319.08383	52.1
320.09177	0.8
334.10718	100.0
710.25684	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11000	0.4
53.04276	0.5
54.67554	0.5
61.11118	0.7
62.70068	0.5
67.04092	0.6
79.88177	0.6
85.11354	0.5
106.59225	0.6
167.07213	1.1
175.03964	0.7
181.08768	0.7
182.09479	2.8
182.54936	0.6
207.06544	1.0
210.09019	2.9
290.08301	1.4
292.09729	4.6
295.08554	3.5
304.06198	1.0
308.09396	0.9
310.10733	15.1
318.07706	1.1
319.08368	6.9
320.09174	100.0
321.09985	1.1
334.10751	12.9
336.12198	7.9
338.10358	3.5
366.09900	0.9
419.13605	0.8
500.13702	1.3
518.14429	9.6
533.16791	14.4
548.19128	10.0
661.96997	0.7
710.24945	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13123	0.3
54.89090	0.3
60.02874	0.3
98.11432	0.3
290.08093	10.5
302.07986	3.3
304.06064	9.0
306.07642	0.4
318.07611	12.1
319.08408	57.3
320.09012	0.9
334.10739	100.0
336.12195	0.5
710.25964	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02997	0.4
54.49873	0.3
56.68103	0.4
66.27940	0.4
73.66340	0.4
91.92101	0.4
113.37453	0.4
130.63112	0.5
142.17262	0.5
200.32274	0.5
256.84451	0.4
276.06479	0.8
290.08118	9.4
302.08051	2.4
304.06006	9.7
318.07568	15.1
319.08389	55.2
320.09177	3.2
321.09760	0.7
322.10751	0.6
334.10718	100.0
336.12265	2.2
340.09821	0.7
370.65414	0.4
448.03537	0.4
548.15576	1.0
710.26111	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34035	0.3
65.43052	0.3
71.07835	0.3
84.62686	0.3
87.81415	0.3
123.58111	0.3
134.00800	0.3
144.47588	0.4
175.03777	0.3
178.99324	0.3
282.22812	0.4
290.08087	10.5
292.09485	0.5
294.95383	0.3
302.08124	2.8
304.05988	8.9
307.08313	0.5
309.89767	0.3
318.03918	0.4
318.07584	11.9
319.08383	57.4
320.09167	17.1
322.10620	1.9
334.10718	100.0
336.12103	1.7
338.13489	0.5
482.99841	0.4
710.26019	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11000	0.4
53.04276	0.5
54.67554	0.5
61.11118	0.7
62.70068	0.5
67.04092	0.6
79.88177	0.6
85.11354	0.5
106.59225	0.6
167.07213	1.1
175.03964	0.7
181.08768	0.7
182.09479	2.8
182.54936	0.6
207.06544	1.0
210.09019	2.9
290.08301	1.4
292.09729	4.6
295.08554	3.5
304.06198	1.0
308.09396	0.9
310.10733	15.1
318.07706	1.1
319.08368	6.9
320.09174	100.0
321.09985	1.1
334.10751	12.9
336.12198	7.9
338.10358	3.5
366.09900	0.9
419.13605	0.8
500.13702	1.3
518.14429	9.6
533.16791	14.4
548.19128	10.0
661.96997	0.7
710.24945	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70473	1.2
59.01822	1.0
71.73277	1.2
86.40578	1.3
88.01788	1.2
92.71991	1.2
97.86896	1.2
105.07047	1.6
117.74036	1.5
127.60325	1.6
133.06483	2.9
133.78629	1.4
159.08018	1.6
161.05940	9.3
166.06190	10.4
175.07568	3.2
181.08582	58.3
181.48251	1.4
187.43277	1.4
190.06264	13.8
199.07545	27.4
205.08598	41.2
247.21271	1.5
276.11356	1.7
277.08743	1.3
278.08145	9.4
289.08499	6.0
292.10031	1.4
294.11221	5.9
303.10156	2.9
304.05765	2.4
304.11057	10.2
305.08337	2.8
305.11661	20.1
306.07584	18.2
307.08408	1.9
307.13214	3.2
308.09116	5.8
308.12845	5.7
318.07220	3.4
319.08331	13.3
320.09192	12.7
321.11313	29.5
322.10764	9.8
323.11707	3.1
334.10721	26.9
335.12976	11.4
336.13522	61.9
337.13577	9.7
338.13824	2.6
352.15518	35.7
367.15381	100.0
425.16013	1.6
427.17560	17.6
488.16333	1.6
680.21399	2.6
710.25220	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64037	0.2
55.52213	0.3
60.57357	0.3
70.06586	2.6
82.39122	0.4
100.88339	0.3
116.04956	0.3
129.10254	0.4
221.73235	0.3
278.08044	0.6
281.73154	0.4
290.08057	0.6
291.08426	0.4
292.09683	1.4
294.11276	0.4
306.07535	1.6
307.08383	0.6
308.09479	0.4
308.12772	11.2
318.07611	0.7
319.08432	1.8
320.09097	6.7
320.12793	3.0
321.09735	5.3
322.10706	8.4
322.14273	0.6
323.11630	0.6
334.10754	4.9
335.11206	2.0
336.12268	29.9
337.13062	33.0
338.13544	1.3
350.10315	1.5
352.15427	100.0
514.18427	0.4
516.20099	1.9
540.77716	0.4
548.18793	0.4
710.28735	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99015	0.2
70.16578	0.3
71.07692	0.3
75.90698	0.3
85.72308	0.3
90.97553	0.3
98.13203	0.3
123.75179	0.3
136.07239	0.3
230.61803	0.3
278.07959	0.4
282.99881	0.3
289.42285	0.3
292.09955	0.3
294.11252	1.3
304.81149	0.3
306.07642	1.2
308.09366	0.8
308.12778	12.3
319.08231	0.4
320.09122	2.5
320.12784	2.3
321.09805	0.4
322.10684	7.8
323.11459	1.3
334.10678	2.2
336.08115	0.5
336.12268	19.9
337.13058	29.9
338.13702	1.7
352.15414	100.0
444.43524	0.3
456.99170	0.3
547.89429	0.3
700.58185	0.4
710.27728	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64037	0.2
55.52213	0.3
60.57357	0.3
70.06586	2.6
82.39122	0.4
100.88339	0.3
116.04956	0.3
129.10254	0.4
221.73235	0.3
278.08044	0.6
281.73154	0.4
290.08057	0.6
291.08426	0.4
292.09683	1.4
294.11276	0.4
306.07535	1.6
307.08383	0.6
308.09479	0.4
308.12772	11.2
318.07611	0.7
319.08432	1.8
320.09097	6.7
320.12793	3.0
321.09735	5.3
322.10706	8.4
322.14273	0.6
323.11630	0.6
334.10754	4.9
335.11206	2.0
336.12268	29.9
337.13062	33.0
338.13544	1.3
350.10315	1.5
352.15427	100.0
514.18427	0.4
516.20099	1.9
540.77716	0.4
548.18793	0.4
710.28735	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99015	0.2
70.16578	0.3
71.07692	0.3
75.90698	0.3
85.72308	0.3
90.97553	0.3
98.13203	0.3
123.75179	0.3
136.07239	0.3
230.61803	0.3
278.07959	0.4
282.99881	0.3
289.42285	0.3
292.09955	0.3
294.11252	1.3
304.81149	0.3
306.07642	1.2
308.09366	0.8
308.12778	12.3
319.08231	0.4
320.09122	2.5
320.12784	2.3
321.09805	0.4
322.10684	7.8
323.11459	1.3
334.10678	2.2
336.08115	0.5
336.12268	19.9
337.13058	29.9
338.13702	1.7
352.15414	100.0
444.43524	0.3
456.99170	0.3
547.89429	0.3
700.58185	0.4
710.27728	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87876	1.4
55.65977	1.1
65.09200	1.2
71.86485	1.2
79.38219	1.3
96.65339	1.3
103.11913	1.4
109.27576	1.7
113.07493	1.2
212.21777	1.3
264.24417	1.7
290.08032	5.8
302.08194	2.7
304.06079	7.1
318.07611	9.9
319.08405	49.5
334.10724	100.0
395.40759	1.6
450.39063	1.4
511.99542	1.4
710.36810	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05512	5.5
57.03432	9.2
60.76533	1.3
61.02937	9.2
67.05505	18.5
69.03433	2.2
69.07063	5.6
69.29334	1.1
71.08605	1.2
73.02908	4.9
79.05500	16.0
80.32692	1.2
81.03407	1.5
81.07059	26.1
83.08611	5.7
85.02911	12.8
85.06527	1.9
91.03951	8.5
91.05470	13.1
93.07042	27.5
95.08610	26.2
97.02888	2.9
97.06535	4.7
99.04446	2.1
99.08112	2.6
100.78130	1.2
105.07020	15.0
107.08588	23.4
109.06528	2.7
109.07281	1.2
109.10160	12.7
111.08063	1.6
113.09648	1.2
117.07033	2.6
119.08578	17.6
121.06474	1.7
121.10142	18.0
123.08071	2.6
123.11720	5.0
127.03887	1.2
129.07027	2.4
131.08553	11.9
133.10106	19.2
135.08119	1.2
135.11691	16.7
137.13274	1.7
143.08562	2.7
145.04967	2.1
145.10103	8.9
145.16901	1.2
147.11700	20.7
149.13222	9.5
151.11177	2.1
157.10104	2.8
159.11693	12.7
161.13240	12.1
163.06064	1.7
163.14801	2.2
171.11638	5.3
173.13336	6.3
175.14795	4.3
177.12758	1.5
185.13272	2.0
187.14847	4.7
199.14877	2.4
205.15979	2.1
229.14522	1.6
241.19536	5.8
259.20566	19.9
269.17529	2.2
275.55511	1.3
277.21585	7.9
321.09937	4.9
322.10550	4.7
334.10953	1.7
336.12250	4.3
351.25281	100.0
368.11121	4.2
369.26358	10.5
407.93283	1.5
477.28610	1.6
495.29260	5.0
513.30408	6.6
648.77051	1.3
706.24420	1.5
710.32471	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.8
61.02920	2.6
67.05503	13.8
69.07071	9.8
69.82807	1.5
71.08630	3.9
72.11800	1.5
79.05500	12.1
81.03403	6.6
81.07060	20.9
83.04984	7.0
83.08624	4.2
85.02907	2.8
91.05491	8.2
93.07027	24.7
95.04946	13.7
95.08588	9.0
97.10163	4.4
97.93665	1.6
99.08081	2.6
105.07021	8.7
107.08601	21.4
108.30834	1.5
109.10148	10.3
111.40598	1.8
117.07039	2.4
119.08551	6.7
121.06504	1.8
121.10128	8.6
123.08071	1.9
123.11709	3.0
125.09625	8.3
129.06960	1.8
131.08582	3.5
133.10133	9.7
135.08000	2.1
135.11673	6.4
145.10101	2.4
147.11679	13.4
149.13309	7.3
151.11192	35.4
161.13219	15.0
163.14792	2.2
165.12766	2.9
171.11717	2.7
173.13196	2.1
175.11183	1.9
175.14766	3.1
179.14326	2.3
207.13777	2.5
217.19319	2.1
231.21091	7.2
238.68704	2.0
241.19391	3.3
249.22134	3.5
255.95567	1.7
259.20538	3.5
277.16382	1.5
277.21622	47.6
277.24509	3.4
334.10486	2.2
336.12143	8.3
348.77448	2.1
351.25269	100.0
369.26334	65.8
710.32654	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60246	0.6
55.01870	1.5
55.05509	3.2
55.31794	0.5
57.03436	2.8
57.07074	1.3
58.70951	0.6
59.04990	0.8
61.02940	5.8
62.57275	0.5
67.05509	12.4
69.03432	1.4
69.07070	9.4
71.05002	1.2
71.08636	3.8
71.88683	0.6
73.02932	1.2
75.05168	0.7
79.05497	10.7
81.03429	3.2
81.07065	20.3
83.04974	1.4
83.08624	4.9
85.02914	7.4
85.06517	1.3
88.85525	0.8
91.03965	5.1
91.05468	9.4
93.07041	19.0
95.04971	6.4
95.08607	12.3
97.02880	3.4
97.06525	3.8
97.10172	3.7
99.04428	1.1
99.08082	3.5
105.07030	10.1
107.08597	15.5
109.06522	1.0
109.10156	12.0
111.08074	2.9
113.09598	0.9
117.07030	4.1
119.08580	12.0
121.06538	1.5
121.10146	12.3
123.08038	1.1
123.11703	3.5
125.09631	3.9
126.72639	0.7
127.03912	1.6
129.06999	2.7
130.11644	0.7
131.08578	4.8
133.10136	11.8
135.08043	1.2
135.11697	11.9
137.09634	0.8
137.13235	0.9
143.08565	1.5
145.04901	0.7
145.10161	5.3
147.11679	13.1
149.09633	0.8
149.13254	6.8
151.11177	16.0
153.09076	1.2
157.10158	2.6
159.11684	4.5
161.13254	6.4
163.06004	1.2
163.11177	1.6
163.14822	1.5
165.12766	3.0
171.10310	0.8
171.11613	4.8
173.11780	1.1
173.13261	3.3
175.11200	1.1
175.14861	4.0
177.12769	0.8
179.14323	4.2
180.32239	0.7
185.13287	3.7
199.14798	1.3
203.14301	1.3
212.78032	0.8
229.14424	3.3
231.21069	3.6
241.19383	5.3
249.22195	1.0
259.20490	10.5
269.17413	0.8
277.21616	15.9
333.24051	1.2
336.12189	2.9
351.25281	100.0
369.26343	16.0
459.68390	0.8
477.28400	1.0
495.29428	1.4
513.30627	5.1
518.51550	0.8
710.33551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.4
57.03431	1.6
57.07081	1.0
60.43217	1.0
61.02930	11.0
65.97659	0.9
67.05507	9.8
69.07065	4.7
69.20042	0.9
73.02899	1.4
79.05503	12.8
81.03448	1.1
81.07056	14.8
83.08613	2.3
85.02899	9.2
91.03941	11.1
91.05482	12.6
93.07040	19.7
95.04980	1.0
95.08617	14.2
95.92606	1.1
97.02889	4.9
97.06475	1.0
105.07030	18.8
107.08611	15.9
109.10170	4.6
111.08045	1.0
117.06999	5.3
119.08579	21.8
121.10139	14.4
127.03903	1.8
129.07016	2.4
131.08606	7.4
131.74356	0.9
133.10123	26.4
135.08057	1.2
135.11693	15.3
143.08563	3.8
145.04982	4.4
145.10144	8.1
145.64787	0.9
147.11693	23.5
149.13240	7.7
151.87303	1.0
154.49248	1.0
157.10149	5.6
159.11691	9.6
161.13237	11.1
163.06052	5.5
163.14799	1.8
171.11739	6.8
173.13277	5.5
175.14853	5.3
185.13222	8.0
199.14861	2.4
217.15965	1.3
231.21085	3.9
241.19485	8.4
259.20575	29.8
333.24152	1.3
338.56387	1.0
351.25296	100.0
417.26389	1.4
441.26233	1.6
459.27408	4.2
477.28421	4.8
495.29327	5.9
533.36572	1.1
556.14606	1.4
615.78101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57794	1.3
55.05524	3.1
58.06601	10.7
58.60420	1.4
64.14678	1.4
64.74182	1.5
67.05514	14.3
69.07068	10.8
71.08612	2.7
74.29659	1.4
76.52515	1.4
79.05496	10.3
79.24549	1.5
81.03430	8.0
81.07064	15.3
83.04999	2.4
83.08620	1.5
85.02898	2.9
91.03947	1.9
91.05498	2.7
92.20870	1.7
93.07044	18.8
95.04995	14.6
95.08605	12.8
97.10189	3.2
99.04477	1.6
99.08052	2.3
105.07041	6.9
107.08601	16.3
109.06499	2.7
109.10138	12.3
119.08599	2.5
121.10157	7.0
123.11691	3.0
125.09626	7.9
129.07022	1.9
133.10129	11.4
135.11714	8.5
138.11639	1.5
147.11702	10.4
149.13235	2.7
151.11180	44.1
161.13252	9.1
165.12793	2.9
175.11218	1.9
175.14763	1.8
179.14296	3.3
231.21054	6.4
241.19637	2.7
249.22121	2.2
259.20624	2.9
277.21680	37.8
281.07996	1.8
308.21161	1.7
319.08340	2.2
320.09036	1.9
334.10751	6.8
351.25320	100.0
369.26355	52.6
405.38553	1.8
613.06372	1.8
617.02435	1.7
710.21979	6.3
710.43317	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71138	3.9
52.71584	4.1
61.02922	5.8
67.05499	9.8
79.34581	4.5
80.25464	5.6
85.02889	7.1
91.03966	9.2
91.05463	11.4
93.07049	24.7
95.08624	21.5
105.07052	20.2
107.08617	9.5
111.64626	4.9
114.11897	4.9
119.08576	11.3
121.10120	8.3
131.08652	5.6
133.10138	20.7
135.11673	7.2
137.90611	5.0
145.10204	5.2
147.11671	11.8
159.11693	10.7
161.13284	12.2
259.20602	23.7
272.58133	4.7
320.09067	26.3
334.10660	10.3
336.12268	8.4
351.25290	100.0
374.10886	5.0
397.77609	5.2
402.09708	5.8
710.31781	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
56.83338	1.5
58.06612	3.3
61.02931	10.9
61.73175	1.9
67.05507	9.9
69.07078	9.1
70.38739	2.2
71.05789	1.9
77.30167	2.3
79.05499	9.1
81.07070	17.2
83.04948	3.0
85.02905	16.0
85.06588	1.9
91.03969	16.0
91.05475	16.0
93.07025	23.7
95.08613	12.4
97.02914	4.4
97.06495	2.2
105.07055	23.9
107.08585	14.4
109.10149	4.7
117.06955	2.1
117.52288	1.9
119.08604	19.8
121.06506	2.5
121.10157	16.3
127.03894	4.1
131.08553	5.1
133.10081	27.6
133.57347	2.1
135.11693	12.1
143.08591	2.8
145.10149	4.7
147.11703	22.3
149.13283	4.1
157.10147	4.3
159.11681	13.3
161.13298	14.9
163.11162	2.4
163.14879	2.3
171.11717	5.3
173.13220	3.6
175.14734	4.1
175.61063	2.3
185.13246	3.5
199.14755	3.0
241.19493	5.3
248.57399	2.1
252.82405	2.2
259.20538	30.7
294.11484	2.3
320.09125	3.2
321.09946	3.2
334.10602	5.2
336.12314	19.0
351.25287	100.0
495.29364	2.9
710.21283	3.2
710.32867	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.01903	2.2
55.05514	5.3
56.43735	2.3
57.03455	4.0
57.07063	3.3
67.05519	27.2
69.07052	11.9
73.02921	32.9
79.05489	4.1
81.03415	15.3
81.07066	31.7
83.08627	3.9
84.06079	2.8
85.02901	13.4
86.14069	2.6
91.05464	3.3
92.20992	4.7
93.07037	6.7
95.08624	28.9
95.64077	2.8
97.02883	12.1
97.10181	3.6
99.04462	100.0
103.03971	5.2
105.07048	6.1
107.04976	2.8
107.08601	4.3
108.04492	3.9
109.10153	11.1
111.04490	3.4
121.10156	4.3
123.11688	4.7
127.03880	6.0
131.08560	3.8
133.10129	4.6
135.11653	2.9
139.03906	11.5
141.05444	6.9
145.06587	3.4
145.10120	3.3
145.53114	2.7
171.06523	5.5
224.49202	2.9
237.07564	5.0
243.08678	13.7
261.07703	11.3
263.23599	6.3
264.20514	2.9
279.08627	6.9
320.08911	4.4
335.16696	13.1
365.26758	4.1
371.25812	4.6
469.29132	3.7
487.30588	6.3
505.31516	3.8
612.46918	11.0
710.39569	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.0
55.01871	1.3
55.05518	6.7
57.03417	1.2
57.07079	1.8
62.09110	1.5
65.03941	1.5
67.05519	17.3
69.03443	2.7
69.07066	6.6
71.04950	1.6
71.08629	1.8
72.45910	1.2
73.02916	29.5
79.05499	6.2
81.03426	17.7
81.07062	28.1
83.04997	2.2
83.08621	5.9
85.02908	24.2
87.04458	5.6
91.05481	5.8
93.07064	12.5
95.04988	1.9
95.08597	22.2
97.02892	13.4
97.06484	1.2
97.10158	1.7
99.04460	100.0
103.03955	8.6
105.07035	8.2
107.05000	1.5
107.08598	8.4
109.02880	3.3
109.06538	1.5
109.10163	10.5
111.04455	18.0
111.08081	1.6
117.06980	1.9
119.08590	5.5
121.06527	1.9
121.10137	5.8
123.11763	2.7
125.09628	1.5
127.03917	8.3
131.08588	3.1
133.06453	1.8
133.10121	5.9
135.11693	2.4
137.13260	1.8
137.63904	1.5
139.03903	53.1
139.04927	2.7
141.05484	14.8
143.08453	1.5
145.05011	1.5
145.06441	1.5
145.10176	2.0
147.11697	2.7
149.13277	2.6
151.11124	2.0
157.10138	1.7
161.13237	2.6
163.03857	2.1
171.06496	30.6
173.13383	1.3
175.14850	2.5
177.05515	2.0
181.04950	2.0
195.06493	2.1
199.14787	1.7
207.06511	1.6
213.07561	3.3
213.16420	1.6
228.03873	1.4
233.08070	6.5
235.13383	1.6
237.07564	12.5
243.08598	15.8
245.22684	2.0
261.07547	13.3
263.23685	6.5
273.21960	1.5
279.08582	22.9
320.09009	11.7
329.24667	3.0
338.61734	1.4
347.25723	3.2
353.24854	2.8
365.26678	3.4
371.25797	7.4
389.26971	6.1
403.28192	1.5
445.29538	5.2
463.30563	7.9
469.29449	7.2
487.30276	10.1
505.31564	7.5
529.77325	1.4
612.47131	4.8
657.35638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75169	2.5
55.05513	7.2
57.03431	4.3
57.07069	15.0
58.34853	2.7
61.02929	29.4
64.75753	2.7
67.05513	53.5
69.03430	3.2
69.07072	29.9
71.04986	3.5
71.08615	10.2
73.02916	10.8
79.05501	16.1
81.07059	98.4
83.08618	26.7
85.02910	41.1
85.06551	3.5
85.99741	2.9
91.03949	35.2
91.05466	12.0
93.07041	24.0
93.94883	3.0
95.08609	98.7
96.15250	2.5
97.02854	22.3
97.06492	3.8
97.10148	21.3
105.07039	14.7
107.08598	30.9
109.10152	55.1
111.08105	4.4
119.08582	14.8
121.10135	33.5
123.11701	31.0
127.03905	11.6
133.10098	21.8
135.11697	22.5
137.13243	17.3
142.70872	2.7
145.04958	7.2
147.11697	14.1
151.14819	5.4
161.13275	19.3
163.06020	22.2
163.14838	5.0
165.16344	3.7
171.11729	3.5
175.14809	22.6
177.16394	6.5
189.16357	4.5
193.19432	3.2
259.24155	49.1
277.25232	100.0
321.97745	3.2
351.28900	49.0
369.29999	69.6
375.25427	11.9
394.57465	3.1
466.98044	3.4
640.23395	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54016	4.3
60.24759	4.0
62.32195	4.6
67.05504	12.1
73.02912	27.5
79.05499	6.9
80.45478	4.2
81.03403	7.9
81.07055	64.1
84.62778	4.3
84.71803	4.3
87.04451	4.8
91.05461	4.8
93.07048	35.3
95.08595	29.1
97.06502	5.0
99.04459	100.0
102.79845	5.3
105.07081	7.0
107.08641	18.7
109.10172	8.7
111.04411	6.7
115.03912	7.1
127.03883	5.7
135.11684	34.3
137.13252	21.5
149.13255	7.0
171.06511	6.0
179.19588	5.5
254.24863	5.0
259.08154	20.9
280.16669	5.8
294.82907	5.1
329.93015	4.9
382.79007	5.5
469.29730	6.5
487.30273	12.2
505.31418	20.1
591.50635	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21801	0.6
65.14148	0.7
65.67902	0.8
66.34344	0.7
66.79071	0.7
70.65558	0.8
95.08589	0.8
152.09900	0.8
153.94757	0.9
172.03940	14.0
174.05550	3.9
190.04997	100.0
194.25034	0.8
295.55481	0.9
306.07639	1.8
318.07663	1.2
320.09055	0.9
334.07199	1.8
336.12497	0.9
372.08463	1.6
396.68091	0.9
448.12262	1.6
450.13251	1.4
452.15268	0.9
462.09763	1.8
468.14526	3.4
476.11182	4.3
478.13168	3.6
482.16080	4.2
488.11398	3.8
490.09280	1.3
491.10199	2.1
506.12244	15.1
513.10657	1.3
520.13818	7.0
538.14990	3.5
576.12756	1.1
589.13843	1.4
602.11023	1.7
605.13220	2.0
607.15302	6.9
616.12433	1.9
617.13776	6.7
619.15033	4.0
620.12213	2.1
621.17206	2.1
629.13220	1.7
631.15112	1.4
632.12622	1.0
633.13159	0.9
635.14502	14.2
645.12805	5.9
647.14569	6.9
649.16321	6.0
660.14856	1.1
663.13855	13.9
677.15906	2.0
678.16290	1.0
693.18689	77.8
711.19757	96.7
711.30957	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42837	0.3
58.06611	3.2
58.33680	0.3
58.94097	0.3
72.08141	0.3
86.92149	0.3
144.41182	0.4
199.86388	0.4
223.07489	0.7
227.06969	1.6
251.07016	6.8
255.10017	0.5
268.07294	2.0
269.07974	1.8
271.09482	0.5
279.06506	9.9
283.09689	1.8
296.06772	8.2
311.09116	100.0
312.09448	0.9
336.12415	0.8
356.14902	53.8
711.24133	0.8
715.59546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06572	0.2
53.77663	0.3
58.06605	3.9
62.67068	0.2
70.35355	0.2
71.14732	0.3
71.60622	0.2
72.78557	0.3
106.44389	0.3
140.07245	0.3
185.08299	0.3
216.46996	0.3
223.07570	1.2
225.09012	0.3
227.07043	1.3
251.07010	5.5
253.08710	1.1
268.07251	1.6
269.08054	2.1
271.09506	0.6
279.06528	10.7
283.09720	1.3
296.06790	7.9
311.09125	100.0
312.09402	1.1
356.03259	4.1
356.14914	47.0
357.15173	0.6
711.25824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91091	0.8
57.21444	0.7
62.69524	0.7
72.93765	0.8
79.05522	1.1
81.07044	1.1
107.08604	1.1
128.96451	0.8
144.95950	1.2
146.73897	0.8
163.36172	0.9
168.99509	1.0
169.10167	0.9
171.01035	1.1
172.99007	1.0
187.00531	1.0
201.03543	3.4
221.06133	2.0
227.03665	1.7
229.05180	15.1
231.63765	1.1
237.05679	1.6
239.07306	1.0
241.05212	5.6
243.03194	1.2
245.04694	7.1
249.05763	2.0
255.06805	5.7
257.08316	10.2
259.06192	1.7
265.05252	3.7
267.06763	86.1
271.06296	3.9
281.09915	1.0
283.06314	3.7
285.04642	1.9
285.07831	48.0
291.10419	0.9
292.09692	0.9
294.07819	0.8
296.07114	1.4
306.07712	3.8
307.07773	1.2
308.09326	4.4
309.09616	0.9
313.07346	1.1
314.07980	3.7
315.08923	1.2
320.09106	8.0
321.09534	5.5
322.10626	1.2
336.12222	3.8
337.12778	3.5
338.13718	1.4
347.12961	17.1
365.14099	8.1
383.15143	100.0
500.16663	1.8
501.17236	3.8
514.18579	2.0
515.19232	5.9
615.28564	1.0
645.27020	0.9
711.25110	14.5
711.37341	5.0
724.03308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14139	0.1
50.30544	0.1
64.32112	0.1
67.79896	0.1
74.28110	0.2
82.29726	0.2
121.06555	0.3
133.37608	0.2
219.13710	0.2
236.16457	0.2
319.08502	0.7
326.10562	0.2
330.11121	0.3
334.10617	1.8
338.13898	0.2
346.11081	0.2
347.11569	0.3
348.12274	5.2
354.09689	0.9
360.08740	0.2
378.09821	0.2
379.10355	0.7
436.10355	1.1
448.15161	0.2
451.12054	0.7
452.13361	100.0
459.71497	0.2
712.22266	14.0
743.03259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68294	0.3
56.51579	0.3
58.06568	1.9
74.81976	0.3
85.02877	0.4
87.63368	0.3
99.04406	0.6
121.06474	0.8
130.81340	0.3
177.05412	1.4
292.09790	4.5
299.09149	1.5
304.09494	0.6
306.07443	1.6
319.08252	2.8
320.09229	5.0
321.09915	10.5
322.10669	0.6
332.09064	0.4
334.10663	5.2
336.12274	36.6
337.12674	0.5
338.13553	0.6
344.14917	0.7
348.12344	5.6
357.09784	0.4
402.13663	0.4
434.90881	0.4
436.10138	1.2
450.11615	0.4
451.12183	0.5
452.13358	100.0
464.25336	0.4
712.24152	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68294	0.3
56.51579	0.3
58.06568	1.9
74.81976	0.3
85.02877	0.4
87.63368	0.3
99.04406	0.6
121.06474	0.8
130.81340	0.3
177.05412	1.4
292.09790	4.5
299.09149	1.5
304.09494	0.6
306.07443	1.6
319.08252	2.8
320.09229	5.0
321.09915	10.5
322.10669	0.6
332.09064	0.4
334.10663	5.2
336.12274	36.6
337.12674	0.5
338.13553	0.6
344.14917	0.7
348.12344	5.6
357.09784	0.4
402.13663	0.4
434.90881	0.4
436.10138	1.2
450.11615	0.4
451.12183	0.5
452.13358	100.0
464.25336	0.4
712.24152	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09387	0.2
54.18377	0.2
55.82236	0.2
75.58233	0.2
81.41665	0.3
177.05400	0.4
206.74669	0.3
220.06648	0.3
261.64603	0.2
293.83389	0.3
330.11642	0.3
346.10794	0.6
348.12289	11.9
360.08585	1.0
364.91992	0.3
374.10471	0.4
375.10831	0.4
379.10434	0.6
388.12067	0.5
392.11221	1.2
406.12708	2.3
408.14319	0.5
424.14136	0.4
434.12326	2.4
452.13397	100.0
466.12772	0.3
712.22339	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35225	0.5
58.06569	0.6
59.04108	0.5
59.76103	0.6
60.91898	0.6
67.93655	0.7
70.39285	0.6
72.40519	0.7
86.01568	0.8
92.20950	1.3
92.31448	0.7
97.08665	0.5
117.09877	0.6
189.05670	1.4
190.06564	0.9
276.06586	1.2
278.08112	67.4
290.08157	0.8
291.08878	1.3
294.11313	1.0
304.06332	1.3
304.09671	4.7
306.07596	100.0
307.08395	17.6
307.11642	1.1
308.09204	3.0
318.07535	2.6
319.08435	2.4
320.09210	1.1
321.09744	1.1
322.10617	1.0
323.11581	3.5
334.10730	4.1
336.12289	3.9
338.13647	4.7
345.57220	0.6
417.34583	0.6
422.07446	0.7
456.14505	0.8
496.13852	0.8
694.23315	0.7
712.23962	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35225	0.5
58.06569	0.6
59.04108	0.5
59.76103	0.6
60.91898	0.6
67.93655	0.7
70.39285	0.6
72.40519	0.7
86.01568	0.8
92.20950	1.3
92.31448	0.7
97.08665	0.5
117.09877	0.6
189.05670	1.4
190.06564	0.9
276.06586	1.2
278.08112	67.4
290.08157	0.8
291.08878	1.3
294.11313	1.0
304.06332	1.3
304.09671	4.7
306.07596	100.0
307.08395	17.6
307.11642	1.1
308.09204	3.0
318.07535	2.6
319.08435	2.4
320.09210	1.1
321.09744	1.1
322.10617	1.0
323.11581	3.5
334.10730	4.1
336.12289	3.9
338.13647	4.7
345.57220	0.6
417.34583	0.6
422.07446	0.7
456.14505	0.8
496.13852	0.8
694.23315	0.7
712.23962	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	10.8
75.44778	0.6
75.81024	0.5
76.64138	0.5
78.01723	0.5
91.36192	0.5
131.76521	0.6
137.05991	0.8
167.06995	3.2
187.07605	0.6
262.97632	0.7
277.08606	6.3
278.08109	57.4
291.08759	1.9
292.09619	2.4
294.08780	3.5
295.09637	0.6
303.09970	0.7
304.09674	3.7
305.06567	0.5
306.07587	100.0
307.05103	0.9
307.08362	16.3
308.09094	2.8
309.11209	13.0
319.08340	2.4
320.09146	4.2
321.09744	0.8
322.10526	0.9
323.11478	1.0
334.10797	3.5
336.12207	4.2
338.13470	2.5
352.15475	0.9
385.46686	0.6
496.13403	0.7
551.16803	0.7
694.21497	0.9
712.22540	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	4.6
63.26720	0.4
84.08128	0.5
86.53068	0.6
108.05667	0.6
120.73192	0.5
137.05992	0.6
167.07019	1.1
175.07495	0.5
178.37895	0.5
179.32945	0.6
224.21992	0.6
257.09424	0.8
275.10516	2.1
278.08105	55.7
279.08539	0.8
288.07797	0.6
290.08063	2.7
291.08804	0.8
292.09317	0.8
303.10028	2.2
304.05975	2.1
304.09656	2.2
305.06384	0.8
306.07602	100.0
307.08365	6.3
307.11859	0.9
308.08560	2.8
309.11279	0.6
318.07468	2.7
319.08411	7.4
320.09094	3.9
321.09485	1.0
322.10535	3.2
323.11328	2.9
334.10718	16.3
335.11026	2.8
336.12289	5.6
338.13809	3.7
496.13492	0.7
516.16821	0.8
528.16077	1.1
561.54419	0.7
617.16711	0.5
632.33875	0.7
682.22144	0.9
712.23334	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60138	0.5
67.07932	0.4
80.30569	0.5
88.03062	0.5
141.29518	0.5
182.63678	0.5
187.65785	0.5
278.08105	54.3
291.08813	1.1
292.09824	0.7
294.11353	2.0
306.07602	100.0
307.08423	5.1
307.11841	1.0
308.09164	3.3
310.76865	0.5
318.07578	0.9
319.08279	2.3
320.09030	1.8
322.10718	4.1
323.11517	6.3
325.17380	0.5
334.10660	3.6
335.11136	0.9
336.12256	6.4
337.13046	1.1
338.13858	7.8
357.02209	0.5
528.16632	0.8
557.60632	0.6
615.61945	0.5
696.24011	1.3
712.24152	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84595	0.3
67.24580	0.4
77.28516	0.3
81.83079	0.3
111.42278	0.4
121.06448	0.4
121.90162	0.3
133.44354	0.4
172.85011	0.3
202.24307	0.4
263.09387	0.6
278.08102	66.4
291.08902	1.8
292.09631	2.5
304.09668	3.9
306.07590	100.0
307.08405	19.4
307.11993	0.7
308.09113	2.0
318.07635	0.7
319.08255	0.5
320.09232	3.8
321.09641	1.7
322.10440	1.5
323.11487	0.8
334.10651	0.7
336.12250	2.1
337.12787	1.3
338.13596	1.7
453.07785	0.4
454.13162	0.5
456.14444	0.5
466.12833	0.4
468.14935	0.5
478.13095	0.4
482.12701	0.8
496.13895	1.4
510.15317	0.7
516.20068	0.8
598.26843	0.4
682.22974	0.4
694.22540	0.7
712.23859	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	8.6
70.10568	0.5
77.29139	0.6
89.40372	0.6
114.06055	0.7
115.52338	0.6
128.25119	0.7
137.05766	0.7
167.06969	1.5
253.62292	0.7
276.06122	0.7
277.08685	5.8
278.08102	58.0
291.08728	0.9
292.09329	0.9
294.08835	4.9
295.09418	2.3
304.05856	2.6
304.09412	4.2
306.07587	100.0
307.08368	16.3
308.09000	1.5
309.11163	12.0
318.07169	4.1
319.08331	5.9
320.08823	3.6
321.09412	1.2
323.11313	0.7
334.10782	7.5
335.10806	2.5
336.11954	2.7
337.12677	1.1
338.13144	0.7
353.15427	1.3
354.15741	1.0
468.10513	0.9
484.13257	0.9
496.13434	0.9
712.22601	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06615	8.6
70.10568	0.5
77.29139	0.6
89.40372	0.6
114.06055	0.7
115.52338	0.6
128.25119	0.7
137.05766	0.7
167.06969	1.5
253.62292	0.7
276.06122	0.7
277.08685	5.8
278.08102	58.0
291.08728	0.9
292.09329	0.9
294.08835	4.9
295.09418	2.3
304.05856	2.6
304.09412	4.2
306.07587	100.0
307.08368	16.3
308.09000	1.5
309.11163	12.0
318.07169	4.1
319.08331	5.9
320.08823	3.6
321.09412	1.2
323.11313	0.7
334.10782	7.5
335.10806	2.5
336.11954	2.7
337.12677	1.1
338.13144	0.7
353.15427	1.3
354.15741	1.0
468.10513	0.9
484.13257	0.9
496.13434	0.9
712.22601	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	4.6
63.26720	0.4
84.08128	0.5
86.53068	0.6
108.05667	0.6
120.73192	0.5
137.05992	0.6
167.07019	1.1
175.07495	0.5
178.37895	0.5
179.32945	0.6
224.21992	0.6
257.09424	0.8
275.10516	2.1
278.08105	55.7
279.08539	0.8
288.07797	0.6
290.08063	2.7
291.08804	0.8
292.09317	0.8
303.10028	2.2
304.05975	2.1
304.09656	2.2
305.06384	0.8
306.07602	100.0
307.08365	6.3
307.11859	0.9
308.08560	2.8
309.11279	0.6
318.07468	2.7
319.08411	7.4
320.09094	3.9
321.09485	1.0
322.10535	3.2
323.11328	2.9
334.10718	16.3
335.11026	2.8
336.12289	5.6
338.13809	3.7
496.13492	0.7
516.16821	0.8
528.16077	1.1
561.54419	0.7
617.16711	0.5
632.33875	0.7
682.22144	0.9
712.23334	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28720	0.6
56.89275	0.6
85.02898	3.7
99.04420	1.4
137.12303	0.7
190.04671	0.9
278.08084	3.5
291.08893	3.6
306.07510	12.5
307.08484	1.7
318.07504	3.0
319.08301	1.6
320.05505	15.6
320.09235	5.6
321.09769	2.9
322.10617	3.6
334.07031	1.9
334.10660	1.6
335.07867	20.4
336.12314	4.6
350.10229	100.0
352.15424	1.1
352.64124	0.9
365.57285	0.8
386.10040	4.9
404.14688	3.2
465.01248	0.8
694.24884	12.0
712.25909	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96441	0.3
59.75795	0.3
62.84777	0.3
65.29180	0.3
69.03413	0.7
74.53829	0.3
81.03411	1.6
85.02906	2.1
85.06520	0.4
92.20997	0.4
99.04456	3.8
106.23946	0.4
109.02844	0.8
115.78540	0.4
127.03858	0.5
150.70029	0.4
178.94580	0.4
224.63559	0.4
241.05505	0.4
251.53720	0.4
260.29910	0.4
278.08139	3.3
291.08908	2.2
300.56012	0.5
306.07593	10.7
307.08209	2.7
315.87375	0.4
318.07581	2.2
319.08267	0.8
320.05588	14.4
320.09171	2.3
321.09857	2.1
322.07205	0.7
322.10565	3.0
334.07132	2.2
334.10690	0.5
335.07870	20.5
336.12314	0.8
338.13763	0.5
350.10217	100.0
386.10190	3.9
388.12082	0.6
404.14868	2.1
414.09714	0.6
415.10590	0.5
430.12851	2.1
432.59924	0.4
500.16589	0.8
514.18555	3.0
694.24872	12.9
712.26233	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28720	0.6
56.89275	0.6
85.02898	3.7
99.04420	1.4
137.12303	0.7
190.04671	0.9
278.08084	3.5
291.08893	3.6
306.07510	12.5
307.08484	1.7
318.07504	3.0
319.08301	1.6
320.05505	15.6
320.09235	5.6
321.09769	2.9
322.10617	3.6
334.07031	1.9
334.10660	1.6
335.07867	20.4
336.12314	4.6
350.10229	100.0
352.15424	1.1
352.64124	0.9
365.57285	0.8
386.10040	4.9
404.14688	3.2
465.01248	0.8
694.24884	12.0
712.25909	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63207	0.7
63.33943	0.8
79.88500	0.7
81.03442	2.1
81.07059	1.1
85.02895	1.1
99.04462	11.8
121.06533	0.9
160.97813	0.9
178.05011	1.1
207.71083	0.9
278.08026	1.9
292.09784	1.4
306.07596	5.1
319.08447	1.2
321.10013	1.6
331.11993	1.1
336.12289	8.5
338.13425	1.8
346.10721	1.6
348.12332	1.5
354.09818	0.9
360.16040	1.3
362.10120	10.9
362.14090	1.7
363.11026	4.6
364.12234	1.1
375.14529	3.9
376.11743	3.4
376.15887	1.3
378.17188	2.9
388.15411	39.9
391.14105	31.0
405.15656	1.4
406.16492	100.0
424.17810	1.1
434.15945	8.8
464.68741	1.1
515.57471	0.9
550.20526	1.3
666.25378	19.0
684.25629	1.8
694.13312	1.7
694.24963	51.9
712.23798	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45723	0.7
71.43850	0.8
92.21452	1.7
115.50601	0.8
138.57314	0.8
166.38164	0.9
212.04253	0.9
247.89600	0.8
269.63821	0.9
273.56262	1.0
278.08136	4.2
292.09729	4.9
293.10507	1.2
294.11221	1.7
304.09598	1.5
305.10242	1.1
306.07755	1.7
307.08072	0.9
308.09247	3.4
308.12808	1.2
319.08423	2.0
320.09116	17.9
320.12268	1.4
321.09729	22.3
322.10336	10.4
323.11362	6.3
334.07321	0.9
334.10678	6.8
335.11279	4.0
336.12274	69.9
337.12964	6.2
338.13821	7.9
452.16156	0.9
456.14359	1.4
458.16101	1.4
469.15308	1.1
470.16150	1.7
472.17795	4.0
474.16156	1.2
484.17352	7.5
488.17172	1.8
500.17328	4.7
501.17963	2.1
502.18716	9.3
514.18634	8.7
516.20319	20.7
528.20453	2.0
548.23041	4.3
678.23883	1.4
682.23303	3.6
696.24536	3.9
712.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19301	0.5
58.06633	0.7
69.29218	0.6
73.99767	0.5
87.80746	0.6
134.57124	0.6
231.13573	0.6
240.29405	0.6
278.08093	55.3
280.09589	2.2
292.09607	1.4
294.11292	8.7
295.12305	0.9
304.06265	0.6
304.09689	1.5
306.07605	98.1
307.08524	5.0
307.12234	3.5
308.09317	7.8
308.12930	2.9
310.14572	0.8
320.08987	4.8
321.10049	3.8
321.29514	0.7
322.10699	19.3
323.11505	21.6
334.07208	1.2
334.10919	3.5
335.11072	1.1
336.12299	27.9
337.13046	7.3
338.13815	30.5
352.15570	1.2
353.15872	3.1
354.16202	1.1
418.12808	0.9
513.86053	0.8
636.22455	0.8
650.23999	1.2
654.23511	0.9
668.24811	3.0
678.23114	1.2
682.23346	4.0
696.24323	4.4
697.25360	1.2
712.26233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92718	0.8
56.94884	0.8
58.06610	1.6
69.59402	0.8
76.14316	0.8
91.73068	0.7
99.47193	0.9
115.03755	0.7
117.03238	0.9
120.54459	0.8
127.95779	1.1
156.74007	0.9
159.59921	0.9
177.05350	0.9
187.57939	0.9
190.13441	0.8
278.08115	11.9
280.09735	1.8
290.08185	1.5
292.09665	1.3
294.11148	6.3
302.08176	1.1
304.06165	1.4
304.09714	1.5
305.10657	1.2
306.07733	26.3
306.11356	5.3
307.08594	1.7
307.12039	1.4
308.09244	7.9
308.12592	2.3
316.43832	0.8
318.07632	4.2
319.08197	6.8
320.09262	6.8
321.09753	4.0
322.10675	15.6
322.14151	1.1
323.11502	16.2
329.14890	1.0
334.10706	14.3
336.12250	28.5
337.13043	11.2
338.09915	1.5
338.13773	23.6
350.14090	1.4
352.15652	4.1
353.15683	6.0
354.16074	3.5
427.92465	0.9
449.59479	0.9
514.18884	1.8
556.49164	1.1
576.39832	1.1
650.23999	3.2
654.23499	1.3
668.24261	1.4
678.23737	1.2
680.24744	1.2
682.22791	7.3
696.24091	6.2
697.24744	1.9
712.27411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45723	0.7
71.43850	0.8
92.21452	1.7
115.50601	0.8
138.57314	0.8
166.38164	0.9
212.04253	0.9
247.89600	0.8
269.63821	0.9
273.56262	1.0
278.08136	4.2
292.09729	4.9
293.10507	1.2
294.11221	1.7
304.09598	1.5
305.10242	1.1
306.07755	1.7
307.08072	0.9
308.09247	3.4
308.12808	1.2
319.08423	2.0
320.09116	17.9
320.12268	1.4
321.09729	22.3
322.10336	10.4
323.11362	6.3
334.07321	0.9
334.10678	6.8
335.11279	4.0
336.12274	69.9
337.12964	6.2
338.13821	7.9
452.16156	0.9
456.14359	1.4
458.16101	1.4
469.15308	1.1
470.16150	1.7
472.17795	4.0
474.16156	1.2
484.17352	7.5
488.17172	1.8
500.17328	4.7
501.17963	2.1
502.18716	9.3
514.18634	8.7
516.20319	20.7
528.20453	2.0
548.23041	4.3
678.23883	1.4
682.23303	3.6
696.24536	3.9
712.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45723	0.7
71.43850	0.8
92.21452	1.7
115.50601	0.8
138.57314	0.8
166.38164	0.9
212.04253	0.9
247.89600	0.8
269.63821	0.9
273.56262	1.0
278.08136	4.2
292.09729	4.9
293.10507	1.2
294.11221	1.7
304.09598	1.5
305.10242	1.1
306.07755	1.7
307.08072	0.9
308.09247	3.4
308.12808	1.2
319.08423	2.0
320.09116	17.9
320.12268	1.4
321.09729	22.3
322.10336	10.4
323.11362	6.3
334.07321	0.9
334.10678	6.8
335.11279	4.0
336.12274	69.9
337.12964	6.2
338.13821	7.9
452.16156	0.9
456.14359	1.4
458.16101	1.4
469.15308	1.1
470.16150	1.7
472.17795	4.0
474.16156	1.2
484.17352	7.5
488.17172	1.8
500.17328	4.7
501.17963	2.1
502.18716	9.3
514.18634	8.7
516.20319	20.7
528.20453	2.0
548.23041	4.3
678.23883	1.4
682.23303	3.6
696.24536	3.9
712.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36408	0.4
73.24046	0.4
78.21866	0.4
78.95387	0.4
109.77007	0.5
277.10950	0.9
292.09613	3.6
293.10403	0.7
294.11227	17.9
306.07962	0.7
306.11197	4.8
307.11749	0.7
308.09094	8.7
308.12781	2.0
318.07712	0.6
319.08221	0.8
320.09131	15.4
321.09756	9.2
322.10715	22.8
323.11502	39.5
334.10556	5.1
335.11108	1.0
336.12268	100.0
337.12912	0.8
338.13840	47.8
350.13837	0.9
389.36963	0.5
478.97562	0.6
514.18414	1.0
712.27625	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	55.5
91.65359	0.8
107.04956	0.9
117.08770	0.8
131.04893	1.0
137.06021	1.7
154.26027	0.8
161.05951	3.4
167.07021	12.1
175.07527	2.0
181.08449	0.8
187.07526	3.9
191.07037	1.1
221.09558	1.3
249.09166	1.4
267.09973	1.2
275.10684	1.2
277.08588	28.4
278.08054	34.6
278.10901	1.5
279.10162	1.4
281.11505	1.1
289.08624	1.4
290.08337	1.2
294.08823	25.5
294.11832	1.5
295.09531	6.5
297.10788	1.2
303.10046	5.0
304.09631	0.9
306.07568	60.6
307.08316	9.8
308.09448	1.1
309.11194	67.0
311.12793	1.6
318.07465	1.1
319.08374	5.4
320.09103	5.8
321.10709	1.1
322.10739	1.5
323.11737	1.2
324.12390	1.1
332.75656	1.0
334.10779	11.4
336.12244	5.1
338.13809	1.8
350.10083	4.0
368.92386	1.0
400.81100	1.1
407.30490	0.8
521.90497	0.9
694.23480	1.2
712.30371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	53.1
65.21826	0.5
72.08154	0.5
92.15427	0.6
92.20856	0.9
98.48966	0.6
107.05025	1.0
107.69640	0.5
133.06471	0.8
159.07957	0.8
161.05957	2.9
167.07024	12.1
187.07567	4.5
199.07491	0.7
221.09660	0.9
237.08733	0.7
249.09090	2.6
251.10551	0.7
271.07541	0.8
275.10568	1.5
276.07883	0.9
277.08563	27.5
278.07983	8.5
279.10028	0.9
281.11652	1.4
288.07825	1.0
289.08511	0.8
291.09995	0.7
294.08810	22.7
295.09625	7.5
297.11069	0.9
303.10150	5.4
306.07541	18.8
307.08713	2.9
309.11191	66.6
311.12616	2.2
319.08917	0.7
319.94897	0.6
320.09348	1.5
323.12750	0.8
327.12131	1.3
334.10864	1.0
519.90729	0.7
548.59009	0.6
557.20325	0.8
667.25098	0.9
712.31543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78302	0.8
55.81241	0.7
58.06608	45.5
70.28683	0.8
78.72173	0.7
105.07021	0.7
107.05028	1.1
117.57011	0.8
121.57574	0.8
134.00818	0.8
161.05995	3.9
167.06993	9.6
187.07581	4.8
221.09587	1.0
243.08051	1.1
249.09114	1.2
257.09644	1.0
267.70862	0.8
275.10641	3.2
277.08594	24.5
278.08057	10.3
281.11560	1.2
288.07932	1.3
289.08676	1.4
291.10455	1.1
294.08856	22.0
295.09628	6.7
303.10104	5.0
305.48633	0.9
306.07565	19.1
307.08673	3.0
309.11215	58.7
318.07611	1.1
319.08612	3.6
320.09357	3.8
323.11273	1.2
334.10806	4.5
336.12378	3.3
712.31635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89080	1.0
55.76196	1.1
58.06611	36.0
62.00546	1.0
63.64731	1.2
82.90061	1.2
90.23741	1.3
93.67316	1.3
99.04392	1.5
107.04993	1.6
129.07101	1.6
133.06506	2.5
159.02098	1.3
161.05983	2.6
167.07040	13.4
175.07497	1.7
181.08543	1.4
187.07578	3.1
249.08989	1.9
257.09680	1.9
260.08432	2.2
261.09076	2.1
263.07025	2.1
265.08450	1.5
275.10693	13.1
277.08701	5.9
278.08151	7.2
281.11755	2.0
285.08936	2.4
288.07739	5.3
289.08502	1.8
290.08109	2.1
294.08929	6.0
303.10175	19.7
304.06195	2.1
306.07541	18.0
307.07938	1.9
309.11227	20.3
311.12860	1.7
318.07739	1.8
319.08386	12.7
320.09177	6.3
322.10776	2.8
323.11481	2.4
334.10687	28.3
336.12314	6.0
338.13904	1.7
712.31976	100.0
741.52051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43324	0.3
51.51939	0.2
55.96931	0.3
58.74799	0.3
71.70230	0.3
167.30075	0.4
193.98868	0.3
195.50966	0.3
197.27678	0.4
200.39577	0.3
217.98178	0.4
292.09686	9.7
304.09689	1.6
306.07510	3.1
320.09192	12.1
321.06100	0.8
321.09943	30.0
336.12277	100.0
676.00085	0.3
706.31781	0.3
712.38416	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24072	0.3
57.57809	0.4
68.71642	0.4
75.94510	0.4
92.20945	0.9
123.81181	0.4
147.32423	0.4
276.06680	0.8
290.08072	7.5
302.08121	2.0
304.05945	6.5
318.07516	9.8
319.02771	0.6
319.08374	50.4
334.10718	100.0
383.11865	0.5
404.15109	0.6
422.02057	0.5
688.92145	0.5
712.38232	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.384
Annotation	Unknow
Peak:m/z	Relative Intensity
82.86319	1.1
90.21072	1.1
292.09518	10.3
320.09219	12.2
321.09918	28.7
336.12283	100.0
353.97806	1.5
556.88623	1.4
712.38489	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06130	6.0
60.08171	1.5
66.65130	0.7
76.07222	0.6
81.63795	0.6
105.36195	0.6
119.08629	0.8
126.16389	0.6
126.17442	0.7
147.14630	0.8
179.32219	0.7
203.16206	0.7
250.29591	0.7
280.01163	0.7
290.08084	8.3
302.08240	3.0
304.06067	7.3
309.19534	0.8
318.07599	8.4
319.04626	1.5
319.08411	48.9
334.10718	100.0
360.49667	0.8
404.15179	1.0
588.23175	0.8
712.38269	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
55.05517	2.9
57.07108	2.8
58.13493	1.8
61.02945	2.7
61.32673	1.9
67.05508	10.2
69.07081	23.3
77.18774	1.9
79.05509	4.2
81.07056	16.1
83.08627	9.2
85.02937	2.3
91.03985	2.0
92.20965	1.9
93.07070	14.3
95.08625	17.8
96.68864	1.9
97.06533	2.9
97.10184	3.4
103.40389	2.1
103.58376	1.7
106.40961	2.2
107.08614	13.4
109.10194	14.7
119.08617	2.9
121.10165	12.8
123.11701	4.3
125.37757	2.1
135.08070	3.0
135.11746	17.0
137.09630	2.4
137.13356	2.5
138.31712	2.3
149.13280	4.0
151.14742	2.5
153.12767	37.9
163.14661	2.0
165.19485	2.0
233.22646	3.0
243.21207	2.3
251.23695	4.2
261.22226	4.5
273.34695	2.2
279.23090	15.1
320.09195	3.3
353.26868	100.0
371.27945	28.7
378.32315	2.7
436.68024	2.3
637.41583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42647	0.6
51.63141	0.8
53.03939	0.8
55.05515	3.2
57.03428	0.9
57.07072	3.4
61.02932	10.4
67.05500	21.9
69.07068	5.5
71.08601	1.5
73.02912	4.7
75.60671	0.8
79.05497	12.5
81.00453	0.7
81.07058	28.7
83.08628	4.3
85.02898	14.3
85.06519	1.1
91.03952	14.4
91.05495	6.4
91.40375	0.8
93.07036	24.8
95.04973	1.5
95.08601	31.1
97.02874	4.6
97.06563	1.8
97.10157	1.7
99.04548	0.8
99.08084	1.1
105.07037	7.0
107.08598	19.6
109.06482	1.0
109.10165	15.7
111.08135	0.9
117.07024	4.1
119.08550	6.6
121.10133	22.4
123.11721	6.6
127.03934	4.7
131.08548	12.4
133.10167	7.5
135.11671	18.0
137.13257	4.5
145.04953	5.6
145.10107	10.1
147.11702	10.6
149.13260	17.7
151.14839	1.7
159.11713	10.7
161.13228	7.0
163.06024	5.8
163.14821	10.1
168.60597	0.8
173.13182	8.5
175.14809	2.1
177.16377	4.1
187.14769	6.3
189.44984	0.9
199.63876	0.9
201.16473	1.1
233.22662	2.1
243.21060	13.9
261.22104	38.4
272.66748	1.0
279.23187	1.1
320.09091	4.2
335.25748	5.2
346.86588	1.0
353.26837	100.0
365.26852	1.0
368.31131	1.0
375.09766	1.2
377.10751	1.3
390.97260	1.0
443.27820	3.5
461.28915	1.5
479.30096	2.1
497.30896	10.6
712.34222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56256	1.8
55.05511	2.7
57.03452	2.1
57.07072	2.8
57.59761	1.5
59.70356	1.8
59.91590	1.7
60.82810	1.9
61.02930	13.1
61.09879	1.6
67.05511	23.6
69.07063	1.7
71.08629	4.4
73.02910	2.9
79.05490	14.1
81.07065	30.1
83.08602	2.8
85.02906	20.1
91.03955	13.4
91.05482	4.8
93.07043	22.7
95.08609	29.2
97.02908	9.2
97.06541	2.4
99.08070	8.4
105.07008	7.9
105.88902	2.0
107.08607	21.3
109.06512	2.2
109.10176	10.5
117.07009	4.0
119.08620	3.4
121.10133	21.9
123.11699	3.6
127.03959	4.5
131.08528	14.9
133.10121	4.1
135.11684	18.4
145.10124	12.6
147.11661	4.9
149.13211	19.5
151.14851	3.6
159.11710	12.6
161.13235	8.8
163.06035	3.6
163.14870	14.2
171.35655	2.0
173.13284	10.4
175.14899	2.9
177.16345	8.5
187.14943	2.4
201.16383	2.8
233.22627	4.6
243.21059	24.6
261.22131	46.9
320.09155	3.0
336.12427	6.3
353.26807	100.0
384.18307	2.6
443.27695	2.8
479.29935	2.9
497.31186	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99117	1.9
58.80618	2.2
58.88684	2.1
61.02929	11.2
62.28926	2.1
67.05509	26.9
69.07063	4.5
70.47858	2.0
71.08638	4.1
71.75291	2.1
79.05495	13.4
81.07066	34.2
82.07214	2.1
83.08631	2.7
85.02898	14.6
91.03959	15.4
91.05466	3.9
92.20912	2.7
92.95311	3.1
93.07053	26.5
95.08601	30.6
97.02917	3.1
99.08083	3.0
105.07034	5.5
107.08583	16.5
109.10153	13.2
113.09694	2.7
117.07030	3.4
119.08546	4.3
121.10150	24.1
123.11712	4.0
131.08559	13.3
133.10109	3.7
135.11681	18.5
145.04889	3.8
145.10175	4.2
145.86530	2.3
147.11668	5.7
149.13219	12.0
159.11702	10.4
161.13208	3.9
163.06065	3.1
163.14862	5.6
173.13261	5.4
185.64856	2.6
243.21179	23.0
261.22058	41.6
320.09137	9.9
336.12238	3.5
353.26822	100.0
379.67245	2.8
442.04578	3.1
497.30530	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16843	0.8
50.28616	0.7
50.80098	0.7
52.96056	0.7
55.05512	3.1
55.39305	0.7
57.03420	1.0
57.07081	4.2
61.02938	9.0
67.05509	19.4
69.07067	5.4
71.08638	3.4
72.36247	0.8
73.02914	1.9
79.05499	11.3
81.07062	32.2
83.08636	3.5
84.35703	0.8
85.02908	14.4
85.06554	1.5
85.10141	1.3
91.03958	13.2
91.05471	7.1
92.20953	1.1
93.07043	24.6
95.04951	1.4
95.08610	28.7
97.02902	5.8
97.06532	1.5
97.10178	1.2
99.04470	1.0
99.08095	3.6
104.76870	0.9
105.07034	4.6
107.08589	18.3
109.10165	10.9
111.08070	1.2
115.03948	0.9
117.07006	3.5
119.08610	6.2
121.10144	18.9
123.08129	1.0
123.11674	5.8
127.03926	1.6
131.08566	11.5
133.10139	6.9
135.11707	17.8
137.09660	0.9
137.13272	3.7
145.04973	3.3
145.10155	7.3
147.11664	7.1
149.09647	1.0
149.13258	13.5
151.14786	1.7
153.12685	1.0
159.11693	9.1
161.13251	7.1
163.06004	7.7
163.14812	13.2
173.13234	10.7
175.14827	1.7
175.88509	0.9
177.16386	5.1
179.14386	1.3
187.14853	7.5
191.14226	1.4
201.16408	2.0
233.22723	3.1
243.21072	16.9
261.22119	46.9
302.62778	0.9
320.08990	1.2
334.10748	1.8
335.25821	5.3
352.25681	1.1
353.26840	100.0
377.26572	1.2
443.27734	3.7
461.28613	4.6
479.30008	4.7
497.31070	13.1
659.36517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.5
57.07089	2.7
58.06610	2.0
61.02932	13.2
65.26495	1.7
67.05514	22.4
67.55785	1.6
69.07088	2.7
71.08630	2.8
73.02923	2.9
74.64515	1.5
75.22540	1.3
77.04963	1.8
79.05497	13.6
81.07067	31.6
83.04988	1.7
83.08585	2.9
85.02901	15.1
85.06547	1.9
90.19465	1.5
91.03961	12.6
91.05476	8.6
93.07047	27.4
95.08617	26.5
97.02889	10.4
97.10160	2.6
99.08072	3.5
105.07043	3.7
107.08603	23.2
109.10153	12.2
117.07018	3.8
119.08586	7.2
121.10162	25.2
123.11732	2.8
127.03938	3.6
131.08575	9.1
133.10152	8.4
135.11687	15.6
137.13303	3.1
145.04984	3.4
145.10168	6.9
147.11688	9.6
149.09624	2.2
149.13235	17.0
159.11690	8.9
161.13271	7.9
163.06032	2.7
163.14812	14.9
165.16306	1.4
173.11902	1.7
173.13193	12.4
177.16415	6.5
179.14362	2.5
180.14604	1.9
187.14944	2.6
201.16466	1.8
213.22293	1.9
219.16862	1.5
225.59520	1.8
225.68739	2.3
233.22617	2.3
243.21123	18.4
261.22101	38.2
271.64499	1.9
319.08380	2.4
320.09073	2.4
322.28201	2.0
334.10590	6.8
335.25748	3.2
337.50137	2.0
351.25134	2.2
352.25803	2.1
353.26852	100.0
413.65219	1.7
443.27802	3.4
479.29657	2.5
497.30899	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59608	2.8
55.05518	8.1
57.03442	3.7
57.07075	17.2
61.02924	20.8
64.05150	4.2
67.05499	18.2
69.07070	29.7
73.02917	3.4
73.13599	3.6
79.05482	7.3
81.07056	36.6
83.08615	30.2
85.02905	24.2
85.10191	5.8
91.03947	17.7
91.90752	3.5
93.07039	15.9
95.08606	33.6
97.02901	15.0
97.10168	23.4
101.56642	3.6
107.08604	8.6
109.10152	28.7
111.08050	5.2
111.11745	7.6
117.27799	4.1
121.10136	42.4
123.11698	18.9
135.11691	37.6
149.13283	19.2
163.05989	14.0
240.58511	3.7
261.25824	19.5
279.26883	33.7
320.09015	4.3
353.30453	41.1
371.31516	100.0
372.74960	3.8
384.87842	3.5
538.24438	5.9
619.35474	3.6
712.48450	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68684	8.6
55.05520	8.6
57.03438	7.4
57.07077	12.0
61.02934	15.9
61.30619	8.5
65.70010	8.4
67.05505	49.0
69.07070	17.0
71.08624	16.8
79.05484	9.6
81.07062	52.9
83.08630	11.7
85.02905	13.5
91.03922	12.6
93.07039	39.9
95.08604	53.5
97.10187	34.9
107.08593	15.0
109.10162	19.4
111.11706	9.3
113.16692	10.2
121.10126	46.6
135.11700	41.2
139.60458	8.6
162.08690	9.0
167.10378	9.6
245.91713	9.9
261.25800	15.4
279.26764	34.1
290.26968	19.3
353.30432	45.4
371.31546	100.0
587.98633	10.4
597.48450	10.9
614.48547	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50898	1.2
57.94323	1.0
62.01159	1.2
70.84190	1.2
73.35512	1.2
125.23901	1.3
131.04938	1.3
320.09128	2.0
334.10767	2.1
336.12445	1.4
337.05081	1.4
607.11340	8.0
609.12775	5.5
621.12848	5.0
623.11469	1.8
637.92194	1.4
639.13898	12.5
655.13391	45.2
683.12909	64.4
713.17603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22784	0.6
79.05505	1.1
95.77712	0.6
105.07049	1.3
107.04964	9.2
110.06519	0.6
123.04420	0.7
124.05215	1.4
125.05979	0.7
131.04921	4.6
133.06528	1.4
134.30595	0.7
159.08095	0.9
161.05991	4.3
167.07031	37.7
171.08025	1.0
184.05029	4.2
191.07028	19.9
198.70357	0.7
199.07539	16.9
205.10199	0.7
215.08545	0.9
233.09592	7.3
246.06862	0.9
247.07509	0.8
257.06027	2.9
260.08344	1.2
261.09085	13.7
262.09903	1.0
265.12057	0.8
274.06470	0.7
275.10715	0.9
278.09509	4.3
289.08566	22.9
290.09500	5.7
291.10205	0.8
293.11731	6.5
299.07394	8.3
301.09109	1.5
303.10220	1.3
306.08817	6.8
308.08871	0.8
313.08350	1.4
319.08441	1.1
321.11258	19.4
322.11880	3.0
329.07867	0.9
334.10870	4.8
344.10190	3.8
353.13974	5.3
401.15906	1.0
403.54144	0.7
435.14188	1.4
437.15756	3.0
511.14893	0.8
713.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01132	1.4
51.03047	1.5
53.18047	1.7
59.62498	1.6
65.82050	1.8
66.28203	1.6
67.18637	1.7
137.05916	2.0
259.70242	2.0
317.87036	1.9
319.08334	9.9
320.08994	9.8
322.10861	3.0
334.10620	16.3
335.11066	3.5
336.12186	4.2
451.10397	3.3
460.08148	2.1
461.08826	2.7
464.07480	11.2
466.09631	3.6
478.09207	4.5
479.09875	11.2
480.10721	8.1
481.11252	2.5
489.08438	2.6
490.09274	7.6
492.07181	23.5
506.08365	11.7
507.09549	66.9
522.11804	80.8
540.13025	16.2
714.17694	100.0
714.78680	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16720	0.3
70.06598	0.5
92.21524	0.8
99.04494	0.5
104.32768	0.4
145.30791	0.4
147.04414	0.4
164.07182	0.4
290.08081	9.8
299.84723	0.4
302.08121	3.5
304.06033	10.1
318.07623	13.6
319.08401	58.4
320.09119	2.2
334.10736	100.0
336.12219	2.0
337.13062	1.0
352.15421	2.7
354.57162	0.5
390.13763	0.6
408.14023	0.5
454.15082	3.0
457.98853	0.5
483.21017	0.4
518.10413	0.5
714.21588	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44188	0.3
88.25883	0.3
99.04521	0.5
100.97723	0.4
107.05101	0.4
109.73122	0.3
135.96562	0.4
137.06041	0.3
203.03059	0.4
266.16870	0.5
276.06647	0.4
290.08093	12.3
302.08136	4.2
304.06000	10.6
304.09189	0.4
318.07587	15.4
319.08386	62.4
320.08987	3.1
321.09760	2.0
322.10272	0.8
334.10718	100.0
336.12265	7.4
337.12805	3.2
338.13052	0.8
352.15543	2.2
446.16116	0.4
454.14975	0.9
472.17828	0.6
486.15280	0.5
487.15805	0.7
500.16846	0.7
501.17471	0.8
502.18353	3.5
514.17847	0.5
516.20148	8.8
714.20587	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44188	0.3
88.25883	0.3
99.04521	0.5
100.97723	0.4
107.05101	0.4
109.73122	0.3
135.96562	0.4
137.06041	0.3
203.03059	0.4
266.16870	0.5
276.06647	0.4
290.08093	12.3
302.08136	4.2
304.06000	10.6
304.09189	0.4
318.07587	15.4
319.08386	62.4
320.08987	3.1
321.09760	2.0
322.10272	0.8
334.10718	100.0
336.12265	7.4
337.12805	3.2
338.13052	0.8
352.15543	2.2
446.16116	0.4
454.14975	0.9
472.17828	0.6
486.15280	0.5
487.15805	0.7
500.16846	0.7
501.17471	0.8
502.18353	3.5
514.17847	0.5
516.20148	8.8
714.20587	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.4
70.33538	0.4
82.60164	0.4
97.76511	0.4
99.04475	0.5
99.37067	0.3
137.54539	0.4
144.65245	0.4
177.05470	0.5
187.03601	0.4
331.12137	0.9
333.13708	0.9
346.10822	2.6
347.11591	1.5
348.12280	0.9
349.09476	0.4
349.13000	3.3
350.13644	2.9
362.13803	4.7
363.10870	0.6
364.11758	7.9
364.15594	1.6
372.12305	21.3
375.11050	3.3
377.12579	0.7
390.13364	31.1
408.14401	44.6
436.13922	18.4
452.13336	2.7
453.13586	4.6
454.14935	100.0
561.96454	0.5
714.23828	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90383	0.5
70.06593	0.8
90.56784	0.5
91.05514	0.6
92.63677	0.7
99.04468	2.9
119.04928	0.8
137.05975	12.4
139.00269	0.6
177.07848	0.9
178.08630	8.8
233.08154	2.3
292.09775	2.8
307.08353	5.1
311.09128	8.5
318.09811	1.2
320.09201	8.9
321.09952	7.9
322.10730	19.1
334.10919	3.5
336.12289	23.0
347.11646	0.9
348.12213	1.0
349.12820	0.8
350.13620	4.0
356.14981	4.6
362.13904	0.8
364.11703	2.6
364.15616	1.3
372.12338	6.9
390.13330	11.6
408.14362	16.2
436.13824	6.2
452.13538	3.0
453.13617	2.7
454.14926	100.0
571.71558	0.6
669.46759	0.7
714.24146	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.7
97.14026	0.5
106.16414	0.6
134.18892	0.6
146.37151	0.7
151.39578	0.6
153.92615	0.6
168.47896	0.6
174.29375	0.6
190.03749	0.6
272.58633	0.6
331.12170	0.7
346.10809	2.3
347.11221	0.6
348.12488	0.8
349.13123	2.5
350.13849	3.2
362.13907	5.8
363.11340	0.7
364.11862	7.4
364.15628	2.0
372.12302	21.0
375.11179	3.2
390.13342	33.7
393.12421	0.8
408.14404	49.7
426.15121	1.0
436.13925	18.7
454.14954	100.0
546.06421	0.7
714.23914	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29012	0.4
51.73966	0.5
56.28027	0.6
79.61491	0.5
85.02927	0.8
85.30761	0.5
89.81964	0.5
91.05480	1.3
93.67382	0.5
99.04456	3.1
119.04936	1.3
137.05988	20.0
155.93250	0.5
177.07845	2.5
178.02518	0.6
178.08630	11.2
192.06604	0.9
194.72368	0.5
233.08026	3.9
256.09454	0.6
277.07047	1.0
292.09793	0.8
307.08401	3.2
311.09161	0.6
318.09787	2.7
320.09195	1.2
321.09891	1.0
322.07114	1.1
322.10669	12.5
331.12207	0.9
334.10818	2.4
336.12335	3.4
343.00934	0.7
346.10645	0.8
349.13177	0.9
350.13889	3.5
362.13928	2.1
364.11890	3.0
372.12369	9.8
375.11105	0.7
390.13318	15.7
393.12256	0.6
406.19827	0.5
408.14401	19.5
434.97192	0.6
436.13828	8.1
452.13409	3.1
453.13400	2.1
454.14929	100.0
714.23956	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
58.06582	2.2
58.08860	0.3
61.28350	0.3
64.08641	0.3
70.06592	0.6
81.03416	1.4
85.02894	0.6
91.05444	2.3
95.72323	0.4
97.02832	0.7
99.04452	5.3
103.41498	0.4
109.02900	0.6
119.04920	0.8
127.03956	0.7
137.05975	20.9
164.07057	0.6
177.05458	0.6
177.07831	2.5
178.08617	12.9
192.06602	0.8
193.64026	0.4
196.07584	0.4
207.06572	0.4
224.42723	0.5
233.08014	4.5
256.09695	1.6
277.07098	0.7
295.06015	0.5
318.09744	3.5
321.42755	0.5
331.11978	0.5
346.10773	0.6
349.13193	1.8
350.14008	2.8
356.11588	0.6
362.14011	2.3
364.11676	4.9
364.15485	0.7
372.12247	10.6
375.11090	1.0
390.13321	17.2
408.14395	23.2
436.13931	12.5
452.13409	2.7
453.13779	0.5
454.14960	100.0
534.20068	0.8
714.23846	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.4
70.33538	0.4
82.60164	0.4
97.76511	0.4
99.04475	0.5
99.37067	0.3
137.54539	0.4
144.65245	0.4
177.05470	0.5
187.03601	0.4
331.12137	0.9
333.13708	0.9
346.10822	2.6
347.11591	1.5
348.12280	0.9
349.09476	0.4
349.13000	3.3
350.13644	2.9
362.13803	4.7
363.10870	0.6
364.11758	7.9
364.15594	1.6
372.12305	21.3
375.11050	3.3
377.12579	0.7
390.13364	31.1
408.14401	44.6
436.13922	18.4
452.13336	2.7
453.13586	4.6
454.14935	100.0
561.96454	0.5
714.23828	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09229	0.3
63.99552	0.3
69.03379	0.7
84.64607	0.3
85.02889	0.7
87.04436	0.6
90.93346	0.3
109.33892	0.3
221.91649	0.3
241.31842	0.3
290.08044	4.4
302.08185	0.6
303.03323	0.3
304.06003	5.1
318.07529	6.5
319.08386	39.9
334.10721	100.0
336.12146	1.2
338.13306	0.3
352.11893	0.5
402.16971	1.7
408.14627	0.3
420.18066	0.5
659.63190	0.4
710.32751	0.4
714.27563	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89442	1.4
55.01864	1.6
57.47181	1.3
65.71979	1.5
67.18982	1.3
69.03423	1.9
69.21308	1.4
75.04470	2.3
81.03410	6.2
85.02892	7.1
91.05466	7.2
93.03388	8.5
93.07015	2.1
97.02874	2.1
103.05480	2.1
104.07863	1.7
105.07057	2.0
106.04182	13.9
117.03308	1.8
119.04914	3.6
121.06502	18.7
125.05968	3.1
127.03857	1.9
131.04948	3.2
134.03618	2.6
137.06003	2.5
145.02884	4.0
147.04362	7.3
149.05974	59.6
151.07559	2.3
153.09114	14.3
155.07056	2.5
161.05978	3.6
163.07512	3.2
166.06363	2.2
167.07013	11.2
175.03856	31.4
177.05447	39.0
179.07004	3.7
181.04965	2.5
181.08586	19.3
190.02626	2.6
191.07040	14.4
192.45978	2.0
193.08600	2.0
205.03215	3.2
205.04948	49.9
207.06494	48.4
209.08060	100.0
209.10005	3.4
219.06566	3.0
221.11736	2.1
222.10045	2.0
223.06015	3.0
229.08562	6.5
233.08095	7.1
261.11151	10.5
274.20172	2.0
289.10626	2.4
307.11603	2.5
320.09518	2.0
321.10052	3.0
334.10364	3.1
336.12225	15.7
369.11945	1.9
415.13925	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75836	0.7
60.21529	0.6
69.03418	1.6
71.43359	0.7
85.02909	7.3
87.04478	0.9
90.32682	0.9
92.21003	0.9
92.73854	1.1
97.02899	1.5
107.04956	52.5
114.92341	0.9
121.06480	1.0
123.04426	10.3
127.03925	1.4
143.04927	5.0
145.06473	9.2
149.05960	1.0
161.05963	28.2
164.07063	4.0
205.04935	0.9
216.97505	0.8
237.09067	2.1
255.10146	72.4
272.12830	29.3
280.51266	1.1
434.18112	100.0
539.00665	1.0
552.48578	0.9
714.24646	1.1
719.66174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
57.21970	0.5
58.06604	28.7
69.03438	3.0
70.07069	0.6
81.03429	0.9
85.02893	6.1
87.04513	1.0
91.05547	0.8
93.07064	1.0
97.02884	1.1
99.04464	1.1
103.05476	1.2
105.07040	1.3
107.04975	4.2
109.02899	0.9
121.06525	3.5
127.03948	0.9
131.06137	0.9
133.06549	1.3
133.10225	1.2
135.08075	4.0
145.02759	1.0
148.19244	0.7
149.05981	18.8
161.05957	6.5
163.07545	5.8
166.06276	0.9
167.07021	37.1
175.14870	1.1
177.05534	3.3
181.08582	33.6
193.08632	1.0
195.10168	3.0
211.09660	13.4
217.26668	0.8
265.08582	7.2
267.10281	3.0
269.63074	0.7
271.35132	0.7
275.10770	0.9
282.08936	3.4
291.10226	3.4
297.11124	14.6
309.11343	4.9
321.11044	1.1
322.12057	5.5
342.17136	4.5
353.13797	9.9
447.14142	9.8
454.15079	1.7
507.20401	3.2
618.82764	1.0
695.74109	0.9
714.31329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
58.06607	31.1
69.03427	3.4
85.02924	4.9
97.02882	1.8
103.05469	1.2
105.07037	1.0
107.04947	5.3
117.89481	0.7
121.06543	2.9
123.39248	0.7
133.06493	0.9
135.08022	1.4
149.05972	16.0
152.63399	0.8
161.05956	6.5
163.07506	5.5
166.06242	0.9
167.07024	36.0
179.07053	2.7
181.08585	30.5
193.08720	1.0
195.10258	1.4
211.09631	12.0
265.08597	9.0
267.10184	1.0
282.08875	1.4
291.10263	3.0
297.11227	16.7
303.10278	1.6
308.10449	0.8
309.11285	2.9
321.11575	1.3
322.11978	2.8
342.17255	2.4
353.13751	8.2
447.14365	9.3
492.17834	1.1
507.20349	3.5
552.26276	1.6
714.31219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
58.06607	31.1
69.03427	3.4
85.02924	4.9
97.02882	1.8
103.05469	1.2
105.07037	1.0
107.04947	5.3
117.89481	0.7
121.06543	2.9
123.39248	0.7
133.06493	0.9
135.08022	1.4
149.05972	16.0
152.63399	0.8
161.05956	6.5
163.07506	5.5
166.06242	0.9
167.07024	36.0
179.07053	2.7
181.08585	30.5
193.08720	1.0
195.10258	1.4
211.09631	12.0
265.08597	9.0
267.10184	1.0
282.08875	1.4
291.10263	3.0
297.11227	16.7
303.10278	1.6
308.10449	0.8
309.11285	2.9
321.11575	1.3
322.11978	2.8
342.17255	2.4
353.13751	8.2
447.14365	9.3
492.17834	1.1
507.20349	3.5
552.26276	1.6
714.31219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30685	1.0
57.03440	2.2
58.06606	29.0
61.02930	18.6
67.05505	1.7
69.03438	5.2
69.07068	7.8
69.30439	1.3
70.06578	2.0
71.04993	1.6
73.02920	6.6
79.05495	6.7
81.03397	1.9
81.07062	6.6
82.38995	1.4
85.02904	42.6
85.06571	1.6
91.03949	36.4
91.05473	5.6
93.07046	9.6
95.08598	20.8
97.02894	17.8
99.04473	7.4
99.08126	1.5
102.64851	1.4
105.07036	35.9
107.08602	18.0
109.02927	2.4
109.10158	2.4
113.09670	3.0
119.08575	48.3
121.10135	2.3
123.11729	3.0
126.22260	1.3
127.03923	19.8
133.10132	61.3
135.11702	33.2
137.09622	2.7
145.02791	1.5
145.04953	20.1
147.04405	1.9
147.11694	5.1
161.05942	1.4
163.06013	39.7
175.14818	100.0
177.05336	3.2
193.15939	5.4
207.06454	1.5
243.06421	2.1
244.57597	1.3
252.19528	2.1
269.08069	8.3
271.05841	2.6
285.07413	4.3
295.05991	8.8
307.10333	1.7
325.11295	39.1
333.44107	1.4
336.12698	1.4
343.12305	1.5
344.24463	2.1
345.09747	1.6
372.12314	7.7
387.64124	1.8
390.13098	12.7
390.24640	1.5
408.14459	19.9
436.13736	8.2
454.15015	38.5
487.16238	2.3
531.84875	1.4
534.19537	8.2
552.20905	13.0
602.61725	1.5
713.23590	1.8
714.24292	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
57.03444	2.6
57.07073	12.0
61.05888	1.6
62.06431	1.7
65.00666	1.7
65.03945	3.8
67.05517	2.6
69.07077	6.9
71.08632	13.1
78.86372	1.6
79.05495	60.6
79.78521	1.9
81.03431	2.9
81.07082	6.7
83.08591	4.5
83.84217	1.9
85.02896	3.0
85.10176	10.8
85.33536	2.0
86.06078	22.4
88.10413	1.6
88.91085	1.6
91.05485	48.1
92.05003	13.4
95.04964	4.4
95.08611	9.2
96.04454	1.5
96.09621	1.6
97.10126	1.9
98.06036	1.9
99.04454	9.2
103.03951	3.6
105.04491	2.1
106.06563	80.9
107.04953	38.6
109.10160	4.5
109.48782	2.2
116.07106	2.4
122.06005	8.4
124.07562	2.4
127.00275	1.7
127.03926	1.7
128.07091	2.5
134.06012	100.0
146.97733	1.8
152.07092	20.3
170.08101	8.6
188.09142	28.1
268.11642	2.9
286.12729	4.3
304.14160	3.8
313.27371	37.8
318.07574	2.1
319.08499	7.9
320.09219	18.1
322.10675	8.8
334.10721	35.2
351.10968	9.0
402.11136	2.4
544.30322	26.2
589.57465	2.0
642.33826	12.4
660.35095	76.9
678.36273	14.7
696.37012	4.3
714.37964	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78986	0.8
56.73268	0.7
87.99286	0.7
128.95448	0.9
137.21150	0.8
238.30118	0.8
292.09610	8.6
304.09760	1.5
306.07492	3.1
320.09094	8.4
321.09970	28.6
336.12292	100.0
599.50537	1.7
681.28204	0.9
714.39960	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.0
54.30533	1.1
55.05516	5.5
57.03445	2.1
57.06825	1.9
57.07084	46.4
57.09471	1.1
61.02938	11.2
67.05507	13.4
69.03427	6.8
69.07079	13.5
71.08635	47.3
73.02922	25.2
79.05471	1.3
81.03428	14.2
81.07064	27.3
83.08625	19.3
85.02907	23.0
85.06554	1.4
85.09719	2.3
85.10187	37.3
87.04445	2.9
89.05994	1.1
91.03951	19.3
91.05525	1.2
93.07056	1.1
93.30016	1.1
95.08609	38.1
97.02894	25.1
97.10161	17.5
98.03439	1.2
99.04453	100.0
99.11710	1.7
109.02934	10.1
109.10177	20.0
111.11722	8.6
123.11694	13.7
125.13274	1.5
127.03921	22.7
129.86066	1.2
137.13263	2.9
145.04953	10.2
148.36687	1.4
163.06010	8.8
164.14891	1.3
169.05522	1.3
179.17987	1.5
225.07535	5.1
226.37376	1.4
239.23660	5.5
243.08603	24.1
281.28430	5.6
299.29486	2.5
319.08142	1.6
320.09131	2.3
334.10687	6.7
348.99652	1.2
355.27679	2.0
355.32043	57.2
371.54489	1.4
373.33099	74.8
435.19449	1.3
481.31601	27.5
499.32413	7.7
625.52417	1.5
714.39905	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01883	3.2
55.05519	9.4
57.03459	2.6
57.07086	33.3
67.05490	3.3
69.03432	35.7
69.07076	33.3
69.24913	2.0
71.05017	2.0
71.08636	22.3
73.02910	4.5
78.48575	2.2
81.03424	19.6
81.07069	10.0
82.26861	2.3
82.53710	2.1
83.08616	33.2
85.02908	100.0
85.10186	19.1
87.00833	35.9
95.08620	3.5
96.30692	2.3
97.02897	29.3
97.10156	37.1
99.04448	17.4
105.01864	66.6
105.07033	2.5
107.08569	2.6
109.02899	37.9
109.10146	4.8
111.11713	26.5
112.14581	2.2
121.06522	3.0
121.10153	3.0
125.13284	10.6
127.03907	73.8
133.10199	2.4
137.13239	2.5
139.14854	2.5
145.04959	14.4
159.02861	8.4
161.76750	2.7
189.04074	2.5
206.49002	2.4
213.03894	4.0
231.04936	15.2
249.06090	21.2
269.28360	70.6
269.31085	3.7
287.29349	17.1
314.22665	2.7
336.12119	12.6
359.29657	2.9
387.01651	2.7
393.10272	3.8
397.65475	2.4
411.11514	5.7
474.67651	2.9
481.31866	18.2
481.69125	2.4
499.32480	19.7
517.33691	4.2
535.35046	5.5
648.33533	3.0
692.47943	2.7
714.34882	19.9
714.44751	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	8.2
56.70787	1.7
57.03453	7.2
57.07090	10.6
61.02940	15.5
64.91600	1.7
67.05505	32.9
69.07082	14.5
71.08643	8.0
73.02936	3.7
79.05507	10.7
81.07057	52.7
83.08617	15.0
84.42520	1.5
85.02901	21.0
85.10204	2.3
86.79341	1.7
91.03951	22.4
91.05467	12.0
93.07030	16.6
95.08600	62.9
95.09174	2.8
97.02906	7.8
97.06561	7.6
97.10134	14.1
99.08126	2.3
105.07043	10.2
107.08591	15.4
109.10159	39.2
111.11738	2.6
119.08566	13.1
121.01950	1.6
121.10120	21.7
123.08092	1.7
123.11704	26.8
125.09679	1.9
127.03943	8.7
133.10118	17.6
135.11653	13.2
137.13266	8.3
145.04980	7.5
147.11711	10.6
149.13245	12.2
151.14819	2.4
155.14319	3.1
161.13248	24.0
163.06015	8.6
163.14838	10.2
165.16359	2.8
175.14821	12.2
179.18013	2.7
189.16362	3.5
241.08658	1.9
245.22643	41.6
246.82176	1.8
263.23657	70.9
264.90646	1.9
267.77652	1.7
268.77567	1.7
277.35886	1.6
303.09454	1.9
305.25665	1.7
336.12335	11.5
337.27341	23.6
355.23917	3.6
355.28397	100.0
415.57834	2.1
481.31189	2.0
499.32559	11.0
714.33887	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04176	2.2
57.03447	4.3
57.07082	47.1
61.02923	14.7
61.28760	2.4
65.88360	2.8
67.05496	16.5
68.70883	2.9
69.07059	17.9
71.08633	51.5
71.57239	2.4
79.25500	2.3
81.07059	24.9
83.08617	16.8
85.02919	25.8
85.10184	31.2
91.03953	22.0
94.60863	3.0
95.08604	47.2
97.02905	11.5
97.10184	15.2
109.10165	22.4
119.08606	3.2
123.11668	12.1
127.03860	6.2
127.20891	3.2
137.13249	4.7
145.04942	5.5
163.05998	12.6
215.87077	2.8
271.46246	3.0
272.95300	3.0
290.26849	6.0
334.10614	4.0
355.32047	72.6
373.33093	100.0
478.77664	3.2
694.92651	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	9.8
55.95820	1.7
57.03439	9.0
59.15462	1.8
59.53045	2.0
60.17371	1.9
67.05520	30.9
68.79440	1.9
69.07072	10.7
75.37991	2.2
79.05511	18.8
81.07067	48.5
83.05018	2.5
83.08615	4.8
85.06585	2.1
88.39087	1.8
91.05467	9.2
93.07052	24.3
95.04997	3.3
95.08618	28.6
97.06505	2.0
97.10206	3.7
105.07057	31.1
107.08601	22.0
109.06544	2.2
109.10159	18.2
114.68211	2.0
117.06979	3.0
119.08583	22.1
121.10145	20.4
123.11726	2.9
129.07060	3.0
131.08575	10.6
133.10132	14.5
135.11694	10.4
143.08582	5.2
145.10121	10.6
147.11705	16.1
149.13277	2.7
159.11671	14.7
161.13281	3.0
165.12758	5.1
171.11754	2.9
173.13266	8.3
185.13148	3.0
197.13168	3.2
239.16418	10.4
261.30905	2.0
335.25760	15.7
349.52988	2.1
412.75015	2.3
425.33972	3.6
499.37808	16.0
517.05182	2.3
517.31390	4.1
517.38892	100.0
687.72430	2.4
714.46484	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14919	0.7
50.81546	0.8
51.00740	0.8
52.33197	0.7
52.81330	0.8
53.60268	0.7
55.05524	20.7
57.03202	0.9
57.03448	11.6
57.07082	13.0
65.03942	0.9
65.16770	0.9
67.05511	58.9
68.77933	1.0
69.07073	34.0
71.04996	1.3
71.08632	6.8
75.04483	1.2
79.05495	18.7
80.71069	1.0
81.03436	1.2
81.07063	92.2
83.04980	2.4
83.08627	30.9
85.06549	4.2
85.10191	1.8
85.19454	0.9
91.05476	12.4
93.07047	27.7
95.04965	1.6
95.08611	83.7
97.06516	7.3
97.10173	20.9
98.98470	100.0
99.08083	4.2
100.07600	2.0
102.00435	0.8
105.07019	9.8
107.08609	17.5
109.06515	1.5
109.10161	44.2
111.08081	7.9
111.11726	4.5
114.09182	3.6
116.99515	1.3
117.63658	0.9
119.08583	14.3
121.10137	20.9
123.08072	2.2
123.11701	22.8
125.09634	2.0
127.11217	1.0
133.10144	16.9
135.11703	11.7
137.09622	2.4
137.13251	8.7
139.11197	1.2
147.11673	16.8
149.13252	9.3
151.11166	1.2
151.14861	6.7
155.01042	98.5
161.13251	10.1
163.14804	7.3
165.12740	1.3
165.16412	5.2
173.02109	13.5
175.14813	5.7
177.16386	1.7
181.15900	1.0
189.16429	4.4
212.13292	1.0
219.21054	1.2
221.89867	0.9
240.42834	0.9
245.22636	36.2
263.23679	97.6
280.26328	25.4
319.08240	1.1
320.09177	10.9
334.10767	4.1
337.27356	79.7
417.23965	43.9
417.29520	1.5
714.35645	4.8
714.49518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.2
57.03440	10.2
57.07095	9.9
59.86528	1.1
67.05506	63.9
69.07072	30.4
69.81933	0.8
71.08630	5.7
79.05489	14.1
81.03406	1.4
81.07059	80.1
83.04978	1.7
83.08623	29.8
85.10190	2.6
91.05466	11.1
93.07041	23.0
95.04943	1.1
95.08603	83.7
97.06503	7.4
97.10176	17.1
98.98461	100.0
99.08083	2.6
100.07642	2.3
105.07023	11.9
107.08596	16.6
109.06500	1.6
109.10152	44.2
110.53595	1.0
111.08071	7.2
111.11700	2.6
114.09124	2.1
115.54484	1.0
116.99501	1.3
119.08558	15.8
121.10132	24.9
123.08036	2.1
123.11697	18.6
125.09577	1.6
133.10123	20.0
135.11653	10.4
136.23357	1.0
137.09637	4.5
137.13254	11.6
139.11183	4.3
139.79543	1.1
147.11655	12.8
149.13254	10.2
151.11150	2.0
151.14830	6.6
153.12743	0.9
155.01031	89.0
161.13219	12.4
163.14848	8.8
165.16391	2.4
173.02077	13.3
175.14778	8.1
179.17905	1.7
189.16331	4.1
193.75645	1.0
245.22604	30.8
263.23676	88.1
280.26318	24.6
319.08243	1.2
320.09262	7.5
334.10684	6.6
337.27322	72.4
343.64844	1.0
350.10004	1.2
357.69040	1.2
412.59348	1.1
417.23923	40.5
435.63205	1.2
714.35529	6.1
729.89587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05514	21.8
57.03437	13.8
57.07073	10.8
66.97311	2.0
67.05508	58.7
68.22230	1.9
69.07062	33.2
71.08624	3.2
79.05482	20.8
81.06701	2.6
81.07060	82.7
83.08617	27.5
91.05470	16.8
93.07037	26.1
95.08605	89.3
97.06516	13.1
97.10154	19.6
98.70602	2.1
98.98464	92.1
99.08067	2.9
105.07005	9.0
107.08558	18.6
109.10152	43.9
111.08080	3.3
111.11739	4.8
119.08572	14.8
121.10140	27.0
123.11694	21.4
125.09633	3.5
128.10751	2.4
133.10104	13.9
135.11708	13.4
137.13220	12.6
147.11679	12.3
149.13226	4.1
151.14801	4.6
154.99739	3.5
155.01018	93.4
155.02208	4.5
161.13234	11.6
163.14792	5.2
170.89034	2.6
173.02136	17.8
175.14874	5.4
179.17915	3.2
189.16359	3.3
201.51714	2.5
245.22662	32.9
263.23666	100.0
280.26361	21.6
320.09122	13.4
337.27325	76.1
367.98315	2.5
417.24045	44.9
444.93655	2.7
465.22495	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	14.5
57.03447	9.3
57.07076	6.0
59.69228	0.8
67.05514	33.0
69.07079	21.3
71.04974	1.1
71.08620	2.1
79.05508	8.9
80.35470	1.0
81.07066	48.7
83.04969	1.1
83.08627	18.7
84.79856	0.8
85.06533	1.1
85.36785	0.8
91.05487	6.1
93.07055	10.7
95.08615	45.9
97.06518	4.1
97.10178	10.6
98.81949	1.1
98.98472	26.9
100.07615	1.0
105.07042	5.9
106.12836	0.9
107.08607	10.0
109.10159	19.6
110.91154	0.9
111.08082	2.0
111.11732	1.1
114.09209	1.4
115.47638	0.9
119.08558	7.8
121.10163	8.0
123.11703	10.3
133.10158	7.3
135.11702	4.7
137.09604	1.7
137.13252	4.0
139.11191	1.0
147.11664	6.6
149.13295	3.6
151.14850	1.5
155.01059	16.1
161.13258	3.8
163.14766	1.6
173.02110	4.9
175.14798	4.5
179.17816	1.0
189.16467	1.2
245.22641	8.5
246.99168	1.0
263.23721	22.7
266.05447	1.1
280.26328	13.8
320.09262	3.8
337.27371	100.0
417.23810	5.9
435.25095	1.2
714.33557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5513
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
50.71817	2.9
67.05504	13.3
75.43957	3.3
79.05496	5.3
83.08626	4.3
91.05476	13.6
92.21559	4.0
93.07015	5.4
94.06570	12.8
95.08658	3.6
210.48665	4.2
245.22617	4.1
250.25150	5.8
262.25317	100.0
280.26361	5.8
316.77267	3.8
320.09033	7.1
397.13928	4.0
516.47876	24.6
518.49243	5.2
528.29279	3.6
534.49060	27.9
584.23682	3.9
696.54187	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59406	1.1
77.21352	1.2
90.83659	1.3
156.99277	1.1
227.49348	1.2
249.43892	1.1
318.07581	1.8
320.05634	1.5
320.09164	2.2
321.09918	1.8
336.12216	10.4
359.04160	2.2
364.08115	32.3
491.65106	1.3
533.05298	1.4
606.04016	1.3
715.16400	100.0
736.68671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85686	1.5
67.55624	1.7
71.17466	1.7
91.77480	1.6
109.11323	1.8
113.98607	1.6
172.03894	3.1
190.04996	40.5
195.78957	1.6
206.47995	1.9
214.65173	1.6
248.75293	1.6
261.36111	1.9
263.05722	2.0
268.95151	1.6
277.07401	9.5
278.08148	21.7
290.08273	6.4
292.06049	10.0
292.09393	2.8
304.05722	1.8
305.06906	9.6
306.07596	100.0
307.08331	40.6
318.07559	7.8
319.08371	8.5
320.05698	3.4
320.09131	15.4
321.09967	33.0
322.10764	31.7
334.07101	90.6
334.10748	12.9
335.07870	14.9
336.12277	2.9
348.08633	2.4
349.09460	26.4
350.06396	3.2
350.10251	28.7
364.08130	3.3
366.09763	2.5
454.12936	16.5
466.12775	9.7
468.10394	11.8
482.12250	16.7
483.12949	13.3
498.15500	34.6
518.71051	2.1
623.14545	6.7
639.13843	3.0
671.20221	97.0
697.18188	36.8
710.38385	2.0
715.19049	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21672	0.7
52.77136	0.8
58.06619	1.0
93.64320	0.9
114.20070	0.9
127.40910	0.9
134.94308	1.0
137.05986	1.0
174.05473	1.1
190.04938	1.6
216.26505	0.9
245.92798	1.0
262.37863	1.0
276.06564	1.6
278.08081	1.2
290.04648	1.1
290.08258	1.9
291.08899	1.2
291.71542	1.0
292.09634	1.1
304.06064	4.3
305.06821	4.1
306.07635	6.0
308.09213	1.4
318.04044	5.1
318.07623	7.6
319.08389	7.5
320.09073	11.7
321.09769	1.0
322.10651	2.2
333.06290	5.8
333.09894	1.5
334.07065	4.1
334.10767	17.3
335.11111	5.7
336.04907	1.2
336.08578	1.9
348.08606	13.1
350.10199	1.3
364.08231	4.4
449.11023	4.5
452.11414	1.8
463.12949	2.2
475.12973	1.5
477.10776	12.3
480.10410	1.6
482.12299	5.7
491.12286	4.8
496.13412	7.4
507.14914	3.6
524.13739	1.6
595.13245	1.8
608.11804	1.3
611.14337	1.2
621.13483	1.3
623.12952	5.6
625.15369	1.8
638.13385	4.4
639.13690	6.4
653.15674	8.6
697.18262	25.5
715.18964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37878	0.5
74.37389	0.6
88.90395	0.6
97.98093	0.6
127.59527	0.6
129.91026	0.5
144.35257	0.6
160.61230	0.7
175.88419	0.7
221.05153	0.6
290.08066	12.7
302.08142	4.7
304.06033	13.4
305.06525	0.8
318.07611	16.7
319.08374	62.4
320.08945	3.3
334.10730	100.0
335.11002	0.9
336.12161	0.7
399.64108	0.6
567.52649	0.6
589.87646	0.7
660.48889	0.7
715.18799	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64417	1.2
57.08608	1.3
57.50166	1.4
73.80951	1.3
122.35010	1.6
172.03932	7.2
190.04977	37.1
241.88557	1.6
252.35892	1.5
277.07504	8.2
278.08093	21.7
290.08313	3.0
292.06134	11.4
303.08939	2.4
305.06839	8.4
306.07614	96.4
307.08420	34.7
308.79358	1.6
313.57193	1.7
318.07718	6.5
319.08435	3.9
320.05664	3.5
320.08957	13.0
321.09897	31.9
322.07114	3.3
322.10696	32.1
334.07104	94.3
334.10800	9.7
335.07880	16.5
349.09518	27.9
350.10233	29.3
351.07382	3.2
360.08578	2.8
366.09921	2.9
451.09906	1.7
454.12836	14.7
466.12787	10.2
468.10703	11.8
482.12320	15.5
483.13092	17.1
498.15524	42.3
567.80963	1.7
623.15094	3.9
653.19299	6.2
671.20221	100.0
697.18207	45.0
715.19177	86.0
715.32019	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68481	0.6
55.66842	0.6
73.28194	0.7
85.05231	0.7
95.27789	0.7
101.93195	0.8
174.05449	1.8
185.37106	0.9
190.05032	3.8
218.80374	1.0
222.09047	0.9
277.07465	1.9
290.04675	1.8
290.08014	1.1
304.05969	1.4
305.06802	5.7
306.07678	6.8
318.04028	4.9
318.07733	3.5
319.08499	4.4
320.05737	1.5
320.09122	10.2
322.10797	3.6
330.07632	0.9
333.06357	9.4
333.09894	1.3
334.07162	5.6
334.10858	11.0
336.08704	3.2
348.08649	14.6
349.09470	1.1
351.11115	1.2
364.08273	7.3
438.10062	1.2
450.09915	1.1
466.08960	3.1
480.10999	1.9
481.11502	1.3
482.12360	4.7
494.08643	1.5
496.14096	8.1
510.11862	1.2
524.13635	1.7
580.12677	1.5
593.13513	1.4
595.14520	1.7
609.12933	1.5
611.14520	1.5
621.13562	1.3
623.13690	7.1
624.12640	1.1
625.15912	1.3
637.13104	1.0
638.12848	7.5
639.14209	7.3
653.15430	10.3
667.14166	1.1
668.17810	1.4
697.18164	29.4
715.19165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81499	0.7
57.26608	0.6
68.31635	0.6
75.35780	0.7
118.86617	0.7
146.09251	0.7
174.05453	1.2
177.05434	0.8
188.49411	0.7
190.05026	3.8
261.07956	0.7
277.07419	1.0
290.04492	1.2
290.08127	2.8
291.08871	0.9
304.06000	1.3
305.06909	5.2
306.07675	6.8
307.08423	0.7
308.09283	3.8
318.03998	5.3
318.07660	2.4
319.08157	4.8
320.05692	1.5
320.09216	8.9
321.09647	1.3
322.10724	13.6
333.06268	9.0
333.09763	0.9
334.07001	3.7
334.10822	15.5
335.11255	1.4
336.08676	3.6
336.12286	0.9
348.08630	13.8
349.09454	1.2
351.10809	5.6
361.89420	0.8
364.08151	12.3
376.08353	1.3
383.59366	0.7
397.91141	0.7
422.10034	1.0
450.09494	1.0
452.11746	1.2
466.08762	1.5
467.09845	1.3
480.10703	1.5
481.11252	1.1
482.12360	3.5
496.13895	7.3
510.11594	1.2
524.13300	2.6
524.87354	0.7
593.13428	1.4
595.13544	1.5
609.12390	1.0
623.14026	7.0
625.16058	2.6
638.13312	5.4
639.13928	4.6
651.13586	1.1
653.15582	9.3
668.17712	1.4
669.18268	1.2
697.18024	17.1
715.19135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17691	0.8
74.27155	0.9
76.32954	0.9
81.22552	0.9
95.13348	0.9
112.09726	0.8
137.06004	1.6
190.04913	1.5
192.71146	1.0
211.32408	1.0
268.09433	1.2
290.08261	4.5
302.08130	1.0
304.06018	1.4
306.07596	3.8
308.09274	2.4
316.43353	1.1
318.04251	1.7
318.07788	5.3
319.08359	15.4
320.09167	5.1
321.06393	1.1
321.09784	1.4
322.10782	6.5
333.06378	2.4
334.07108	3.2
334.10703	50.2
336.04752	1.3
336.08557	2.0
336.12296	1.7
350.09964	1.4
351.11075	6.1
364.08075	2.2
422.09833	1.1
473.00821	1.1
482.12552	2.4
549.13135	2.3
568.15308	1.3
595.14496	2.2
597.14856	1.3
609.16083	1.3
610.13635	3.9
623.10730	1.7
624.14209	4.4
625.15271	1.3
638.13269	1.8
639.14008	12.0
641.15405	4.1
643.17413	1.6
653.16541	1.2
656.17346	1.9
657.14606	2.4
671.16772	10.8
686.19324	2.0
687.19971	8.4
697.17883	4.5
715.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78793	0.4
57.29694	0.4
62.53407	0.4
69.89236	0.4
75.24198	0.4
90.22234	0.5
104.18592	0.4
108.22726	0.5
137.05977	0.8
161.06050	0.5
172.03903	0.8
174.05577	2.3
175.03912	0.6
190.04968	5.7
205.20454	0.5
275.06018	0.5
276.06778	0.6
277.07492	1.1
278.08389	0.9
290.04785	1.1
290.08246	3.2
291.08844	0.8
292.06305	1.0
292.09775	1.0
304.06134	1.9
305.06812	5.9
306.07635	8.5
307.08594	0.8
308.09274	2.1
318.04056	6.6
318.07770	2.9
319.08328	5.1
320.05606	1.6
320.09073	10.8
321.06412	0.7
321.10013	2.3
322.10733	4.1
330.07217	0.5
332.05560	0.7
333.06387	9.6
333.10104	1.9
334.07135	6.1
334.10867	8.4
336.05060	2.1
336.08694	3.9
336.12183	1.3
348.08655	15.2
349.09543	0.7
351.10995	1.1
364.08124	8.5
367.13074	0.6
376.08261	1.9
401.00735	0.5
422.10217	0.9
450.09521	0.8
452.11426	3.2
453.12158	1.0
454.13025	0.6
464.11432	0.6
466.09213	3.4
467.10522	0.5
475.20172	0.5
480.10748	2.4
481.12051	2.0
482.12296	5.6
489.10864	0.8
494.08749	2.9
496.13876	9.3
510.11829	0.7
524.13177	2.0
580.12720	2.2
593.12964	2.5
594.12756	0.6
595.14050	3.6
607.12982	0.5
608.12103	1.0
609.12708	0.8
610.13745	2.1
611.14709	3.6
621.13086	1.7
623.14392	8.3
624.13477	1.0
625.16113	2.5
638.12701	6.3
639.13855	6.6
651.14386	0.9
653.15643	10.7
667.13348	2.5
668.17780	2.1
669.18884	1.2
697.18048	27.9
715.19122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14441	0.8
58.06585	0.9
68.94669	0.8
137.05922	1.0
141.70966	0.9
171.34425	0.8
174.05481	1.9
180.68152	0.9
190.04942	2.0
262.08722	1.2
276.06451	1.4
290.04489	1.3
290.08209	4.1
291.08813	1.9
298.00974	0.8
304.05893	3.7
305.06799	4.7
306.07663	6.5
307.08087	0.9
308.08929	1.3
310.11453	0.9
318.04025	4.8
318.07358	6.0
319.08331	11.4
320.09012	15.2
321.09821	2.0
322.10727	4.5
332.05609	1.0
333.06305	7.8
333.09756	1.4
334.06970	3.3
334.10623	23.2
335.11072	10.0
336.08597	5.0
336.12292	1.8
337.41394	0.9
344.05270	1.1
348.08545	12.3
349.09488	1.1
350.10083	0.9
351.11130	3.4
355.91196	0.9
364.08096	6.2
452.11365	1.8
466.13687	1.2
467.09763	1.2
477.10690	4.8
480.10703	1.5
482.12076	3.6
494.08786	1.5
496.14014	10.5
507.15018	1.7
517.11139	0.9
524.13312	1.5
535.11743	1.0
593.12653	2.0
595.14001	1.1
608.11865	1.4
609.12439	1.2
610.13654	0.9
611.14233	1.5
623.13116	8.1
625.15991	3.2
638.13226	5.5
639.13947	5.0
653.15479	9.3
669.17938	1.6
682.15985	0.9
697.18158	27.6
715.18872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22273	1.0
55.34359	0.9
62.41758	1.0
76.05827	0.9
77.20596	1.0
88.15408	0.9
92.21496	1.4
93.29952	1.1
178.16312	1.1
190.04941	1.6
194.80835	1.1
197.08513	1.0
231.44028	1.0
261.07901	1.6
262.08511	1.8
278.08093	1.9
290.08096	2.0
291.08856	4.0
292.06244	1.4
292.09637	2.5
304.06134	1.2
305.06830	9.4
306.07614	23.0
307.08432	2.4
318.03915	11.2
318.07639	4.0
319.08298	4.4
320.05725	11.2
320.09186	1.9
321.09897	2.5
322.10703	2.5
331.04398	1.4
333.06290	20.4
334.07074	49.2
334.10803	6.7
335.07834	39.9
335.11542	2.4
336.05185	2.2
336.12241	1.6
348.08646	21.9
349.09344	11.6
350.10193	100.0
364.08124	12.1
366.09750	10.6
368.27295	1.3
428.04358	1.0
542.66339	1.3
715.19067	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08271	0.5
65.89842	0.5
78.13184	0.7
121.51997	0.7
153.74913	0.6
190.05070	1.0
262.08636	1.1
278.08194	2.8
279.08871	1.0
290.05084	0.9
290.07959	5.2
291.09094	2.9
292.06345	1.2
292.09775	3.0
294.07608	0.9
305.06793	9.9
306.07611	24.7
307.08432	2.7
318.04013	11.5
318.07663	6.2
319.08472	3.2
320.05609	10.1
320.09073	2.4
321.09888	0.8
322.10648	1.1
333.06302	23.9
333.10025	1.2
334.07098	49.0
335.07870	49.1
336.05029	1.4
336.12247	1.3
348.08682	19.7
348.12524	1.1
349.09387	9.3
350.10223	100.0
351.07385	1.1
364.08112	0.9
366.09735	11.8
451.08722	0.7
542.99182	0.6
558.73114	0.8
715.19208	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57925	0.7
59.37731	0.9
91.01781	0.9
103.46875	0.9
134.55115	0.8
174.05464	1.1
190.05038	3.5
200.51718	0.7
207.06561	1.2
235.70888	0.7
276.06473	1.2
277.07428	1.1
278.08456	0.9
290.04550	1.7
290.08224	4.9
291.08694	1.4
304.05991	1.9
305.06808	5.8
306.07504	8.2
308.09192	3.5
318.04071	4.1
318.07675	4.7
319.08368	11.5
320.05539	1.8
320.08984	16.2
321.09698	4.5
322.10666	12.9
333.06284	8.4
334.07086	5.2
334.10666	25.4
335.11060	9.3
336.05045	1.1
336.08734	4.3
348.08664	13.7
351.10837	6.9
352.08368	1.0
364.08118	16.5
427.59772	0.9
466.08496	2.4
480.10675	1.8
482.12527	6.7
496.13824	7.3
510.11667	1.3
524.14227	1.5
580.12915	1.2
595.14368	3.8
611.14246	3.4
623.13696	7.6
625.15289	1.1
638.13330	6.2
639.13904	5.1
653.15759	9.9
669.16913	1.1
697.18085	15.8
715.19092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38308	0.7
55.04361	0.8
70.94018	0.8
73.88847	0.9
100.03876	1.1
101.23487	0.8
121.26830	0.9
152.62560	0.9
162.83495	0.9
174.05418	1.1
190.04982	1.7
276.06516	5.5
277.07224	1.8
278.07870	1.3
290.04807	1.4
290.08218	4.1
291.08920	1.6
293.73709	1.0
304.06253	2.0
305.06894	4.2
306.07617	5.3
307.08139	2.2
308.09189	6.7
318.04013	4.2
318.07654	4.0
319.08386	6.1
320.09048	9.2
322.10663	12.1
333.06558	6.7
334.07056	5.4
334.10748	15.6
336.05042	1.4
336.08731	3.9
348.08655	14.0
350.10242	1.5
351.11108	7.9
364.08160	13.2
411.92728	1.1
414.88400	0.9
422.08661	1.1
466.09021	1.5
480.10974	1.1
482.12244	2.1
496.13962	6.8
524.13019	1.1
537.13031	1.1
568.84552	1.2
586.11542	1.1
591.12341	1.1
593.12927	1.3
595.14496	4.0
621.12158	1.2
623.14789	6.6
625.16333	2.2
637.11810	1.3
638.13159	5.6
639.14325	4.4
653.15460	10.6
668.17383	1.1
697.18182	19.9
715.19000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64912	0.7
83.54563	0.6
94.40546	0.6
94.56331	0.7
94.82107	0.7
124.19115	0.8
140.98811	0.7
165.95435	0.7
174.05424	0.9
190.04985	1.7
213.33952	0.7
257.07779	0.7
266.99637	0.7
277.07541	1.6
290.08246	2.9
291.08813	0.9
292.05978	1.1
292.09570	0.8
304.06113	1.4
305.06921	5.6
306.07581	6.0
308.09293	3.3
318.04025	6.6
318.07480	2.1
319.08429	3.7
320.05853	1.6
320.09293	8.4
321.10034	3.1
322.10715	12.8
323.11401	0.9
333.06342	9.1
334.07135	5.4
334.10886	10.8
336.08707	2.7
336.12479	3.2
346.07071	0.9
348.08664	14.6
351.11270	6.3
364.08127	14.4
450.09921	0.8
452.11835	1.6
466.08600	1.2
480.10904	2.8
481.11652	1.0
482.12393	1.4
494.08783	0.8
496.13824	8.5
517.20776	3.7
524.13635	1.3
593.13666	1.0
595.13080	1.6
611.14240	1.5
621.13202	1.0
623.13416	5.5
624.11951	1.0
625.16797	1.0
635.13446	0.8
638.12952	6.2
639.13983	3.9
653.15576	10.6
667.14026	1.2
668.17798	1.4
669.18365	1.0
697.18335	16.0
715.19141	100.0
715.28674	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66774	0.5
61.77775	0.6
63.10936	0.6
66.05019	0.6
83.41840	0.6
86.33210	0.6
99.27781	0.7
107.08541	0.6
109.10169	0.7
115.80240	0.6
137.40625	0.6
205.52252	0.8
289.10364	1.2
290.08118	0.7
320.09131	1.2
321.09714	1.1
329.17203	16.1
336.12283	3.6
337.12817	0.7
391.24673	1.1
409.16199	100.0
447.81625	0.7
553.29639	12.8
596.32819	0.6
645.06976	0.6
715.17053	0.7
715.35358	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56339	0.5
67.78863	0.5
73.32127	0.4
92.21494	0.7
101.78008	0.4
117.97379	0.6
174.99452	0.5
177.50197	0.5
185.04352	0.6
203.05269	0.5
242.82668	0.5
259.07813	0.9
299.18628	0.7
316.05005	0.6
317.19916	0.5
320.09109	1.0
336.08810	0.9
347.09497	2.9
366.53265	0.7
391.24728	2.3
431.19022	1.2
493.15408	0.8
553.29840	41.8
697.32269	0.7
715.35077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33076	0.5
68.66171	0.5
72.95731	0.5
75.21584	0.5
80.46483	0.4
90.74104	0.4
93.38415	0.4
100.69192	0.5
103.72968	0.5
117.09032	0.5
125.80334	0.4
138.74214	0.5
139.47684	0.5
185.04227	2.6
201.03708	0.7
209.35545	0.5
222.35406	0.4
243.32547	0.4
259.07993	0.8
331.10056	2.9
336.12323	1.8
345.11465	0.5
347.09396	5.5
363.08948	3.4
391.24612	2.6
393.29465	0.6
429.17987	0.6
437.12662	1.7
443.18814	2.0
463.13959	0.5
465.37686	0.5
483.21915	0.7
493.15225	9.8
495.39392	0.6
507.17102	2.2
535.19751	0.8
553.29797	27.4
553.38263	1.0
563.22601	0.7
577.24707	0.9
605.24213	1.1
617.27466	0.7
715.35101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49881	0.5
54.32972	0.5
58.06609	0.7
66.87856	0.6
68.50639	0.5
87.76997	0.6
95.08606	0.8
133.10114	1.0
164.23914	0.6
185.02635	0.7
185.04187	1.2
190.97292	0.7
201.03725	3.7
203.05359	2.8
259.07922	3.2
275.92532	0.7
277.08893	0.9
319.10007	1.1
320.05765	1.2
321.06335	0.9
321.09851	1.2
322.10385	0.7
331.10294	1.1
334.10834	3.6
336.08688	3.9
336.12418	6.2
347.09409	5.5
360.05890	0.8
363.09012	2.9
364.08408	2.6
365.10507	6.8
387.16342	1.5
421.13397	4.0
437.12488	0.9
438.15527	1.5
443.22324	4.7
493.15280	8.5
507.16919	1.6
535.20435	1.2
549.21661	2.4
553.29883	20.4
605.28149	1.5
698.23907	1.1
715.22119	4.7
715.35095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.4
57.07083	5.7
69.07095	1.8
71.08636	1.7
73.02924	2.4
81.03432	3.4
81.07075	3.2
83.08287	1.8
92.33995	1.5
92.57432	1.3
95.08601	5.2
97.02901	3.7
97.09314	1.3
99.04466	24.1
100.04761	2.6
101.85291	1.4
109.10162	2.0
119.35030	1.4
127.03892	5.6
145.05013	1.8
154.21631	1.8
164.97174	1.5
169.04738	2.3
177.01627	2.8
192.03917	21.0
196.73322	1.8
243.08586	3.5
324.43188	1.7
334.10553	2.0
335.11328	3.3
373.32870	1.8
380.29034	1.9
401.26859	2.3
482.32126	6.7
545.68042	1.6
667.78174	1.8
715.36487	100.0
723.91156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	2.1
61.83353	1.0
72.93805	1.2
75.08829	1.0
84.47828	1.2
90.94834	1.8
91.05518	1.4
128.96350	1.2
142.97972	2.0
175.00446	1.5
179.01624	1.6
187.00511	1.7
201.03618	6.1
211.04211	1.6
215.03656	2.0
221.06166	1.6
223.04134	1.7
227.03590	4.4
229.05203	29.7
237.05702	3.0
239.03632	1.6
239.07188	2.3
241.05280	7.2
245.04689	43.5
249.05635	6.2
251.07133	1.3
253.05229	4.9
254.54150	1.3
255.06755	6.7
257.08325	18.6
261.04224	1.4
263.05753	2.2
265.05206	4.8
267.06766	100.0
268.06567	1.7
269.08426	1.9
271.06122	1.9
275.05704	1.8
283.06262	7.0
283.11472	1.8
285.07831	62.5
290.08194	1.7
308.09229	1.9
319.08368	6.7
320.09100	4.9
331.13440	2.4
334.10834	11.0
336.12357	1.6
349.14597	36.8
367.15680	27.4
385.16718	99.4
403.17813	2.5
426.19070	2.3
541.00299	1.4
715.19678	6.8
715.41248	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45600	0.9
62.88338	0.8
70.06577	0.9
72.83232	1.0
77.97342	0.9
93.03413	0.9
103.05480	1.0
116.27538	1.0
121.06493	1.7
137.05963	6.2
149.06001	5.6
150.06262	1.0
161.05927	1.0
178.05827	1.0
181.08572	1.2
191.01820	1.0
191.06949	1.3
208.06912	1.0
209.08092	5.0
210.08438	3.8
245.11737	1.0
290.08105	4.2
302.08005	1.3
304.06052	1.9
318.07541	7.8
319.08386	35.1
320.09134	10.1
334.10721	51.5
336.12210	1.5
359.07480	2.2
360.08621	35.9
374.10156	12.1
386.06757	1.6
464.11411	5.7
465.11844	1.4
467.09854	3.5
468.10681	12.9
482.12344	56.4
483.12967	16.4
496.14249	7.6
527.12000	4.6
542.14410	43.6
670.19250	1.9
716.19836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89034	0.3
51.44835	0.3
71.09864	0.3
79.12916	0.4
216.97549	0.4
264.24982	0.4
276.06494	0.6
290.08118	9.5
302.08185	3.1
304.06009	9.6
318.07629	11.8
319.08392	56.1
320.09134	2.3
334.10736	100.0
336.12659	0.5
348.12299	0.8
404.10916	0.4
438.72171	0.4
542.15253	0.5
643.40399	0.5
716.23291	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55857	0.6
57.03447	1.3
58.06607	27.5
61.02925	1.4
69.03440	6.4
72.09188	0.5
73.02916	1.1
81.03428	2.4
85.02914	13.5
87.04469	1.0
88.07634	22.2
89.87021	0.7
97.02905	3.6
99.04456	0.7
121.52582	0.6
127.03975	1.3
137.06062	0.7
196.65739	0.8
208.09824	0.7
325.08719	0.9
336.41382	0.8
337.08670	1.3
349.08395	1.1
352.07175	0.9
353.08176	7.9
354.09030	0.8
357.11337	1.5
365.08286	1.2
367.09637	5.5
369.07599	0.9
370.08276	1.3
371.09103	1.0
379.09787	1.1
380.06808	0.9
381.07336	1.3
383.09198	1.6
384.09909	2.5
385.10709	7.5
395.09247	6.0
396.09906	1.2
397.10828	0.8
413.10315	4.8
415.11774	0.9
427.07971	2.4
431.11273	2.8
445.12897	3.5
459.10672	13.1
473.12027	1.2
476.11008	1.3
491.13239	10.6
504.16599	1.0
653.18719	5.7
698.24542	4.4
716.25500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59983	1.8
53.03947	2.4
57.07068	8.1
66.58977	1.8
69.03429	4.6
71.08635	4.5
73.02921	25.8
81.03417	11.1
81.07064	3.2
81.21983	1.5
82.74188	1.8
83.08611	2.5
85.02900	2.4
87.04494	3.0
88.70474	1.6
90.70275	1.7
95.08638	2.3
97.02867	11.1
99.04456	100.0
109.02855	10.0
127.03906	11.6
145.08798	1.7
182.42325	2.0
225.07401	3.6
243.08609	34.8
579.35083	7.2
705.61090	2.3
716.50177	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
55.09433	0.9
57.03444	18.7
57.07084	6.6
61.02942	1.0
67.05512	15.7
69.07079	9.9
71.08627	20.7
79.05490	5.5
81.07064	22.8
82.25777	0.8
83.04986	1.7
83.08608	10.4
85.06564	4.8
91.05468	2.0
93.07065	9.5
95.08606	33.6
97.06532	5.3
97.10154	6.5
98.07791	0.9
99.08089	23.9
105.07044	1.4
107.08600	9.4
108.13990	0.9
109.10181	11.9
111.08090	1.5
111.11703	1.6
113.09657	3.9
117.05489	47.5
119.08555	2.1
120.76511	1.0
121.10124	9.0
123.11703	2.3
127.11238	2.1
131.08531	1.7
133.10143	4.5
135.01961	1.0
135.11690	16.8
137.09572	1.7
137.13278	4.2
141.09076	1.3
145.10187	1.3
147.11679	8.9
149.13266	7.1
153.12767	3.8
159.06522	1.5
159.11589	1.3
163.11136	1.0
163.14851	6.0
167.14252	1.5
171.06602	1.0
177.16383	4.5
181.15929	1.0
233.22664	10.1
243.20999	1.3
251.20082	6.0
251.23695	1.6
255.23105	4.0
269.21048	1.6
279.23184	6.0
297.24207	8.6
353.26837	14.1
367.24606	1.5
382.13217	1.1
385.25824	7.4
395.27924	100.0
401.09134	1.0
411.27222	4.2
413.28717	1.4
432.09561	1.1
485.40445	0.9
547.43323	1.0
565.44086	1.6
640.66437	1.1
681.49774	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.9
56.37817	2.1
56.47030	2.2
57.07087	3.7
60.04532	23.8
67.05505	17.7
69.07071	11.9
71.08635	3.1
79.05499	11.8
81.07046	14.0
83.08595	3.5
93.07047	14.0
95.08604	19.7
97.10223	3.3
107.08587	13.6
109.10143	4.8
121.10144	25.5
127.43522	2.8
135.11681	14.3
149.13269	3.6
166.18965	3.2
178.73927	2.7
181.71227	2.7
193.15132	2.6
204.59831	2.8
254.24789	2.9
264.26813	20.1
282.27957	20.5
320.77121	3.3
336.12357	20.6
399.44501	3.0
536.50500	54.9
554.43988	4.0
554.51520	100.0
716.41748	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	13.2
62.08271	5.1
67.05499	8.5
68.42162	5.2
79.05496	9.9
79.21056	6.2
81.07065	10.3
83.08630	5.5
93.07040	7.8
95.08607	23.9
107.08597	8.8
121.10109	12.8
135.10065	5.8
147.08656	6.4
167.43059	5.0
264.26898	12.6
282.27817	12.2
536.50128	58.5
554.51392	100.0
564.93359	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71948	4.6
53.73045	6.0
54.94447	5.0
57.07076	10.0
57.65739	4.6
58.70644	6.3
60.04538	72.1
65.32980	5.4
66.04985	6.0
67.05525	6.9
69.07079	9.1
81.07082	11.5
85.10166	6.4
94.53778	5.7
95.08613	26.0
107.08587	7.4
109.10141	9.0
113.10037	6.9
114.40732	5.6
122.05116	6.3
143.15497	6.3
149.54179	6.4
172.71364	6.0
231.83774	6.4
256.26303	10.7
262.25247	24.4
280.26465	31.1
298.27267	8.0
320.09021	33.9
321.09561	38.8
334.10791	14.8
336.11963	12.7
338.13477	13.9
536.49927	35.0
554.51318	100.0
685.11670	8.1
715.30737	7.1
716.39575	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63192	1.4
60.94855	1.4
64.57280	1.3
102.88362	1.7
130.99504	1.5
149.02342	16.2
173.66193	1.6
190.05011	2.0
319.08310	5.8
320.08966	7.8
321.09555	2.3
334.10562	8.6
335.11246	3.1
336.12125	3.6
341.97531	1.6
352.11740	2.1
374.47418	1.8
380.11172	2.1
384.85742	1.7
436.08020	19.9
437.08862	7.8
452.11252	2.9
464.07495	15.6
465.08438	22.5
480.10791	90.9
493.13770	3.3
508.10269	46.8
526.11285	3.4
643.18488	2.4
699.16040	15.9
717.17157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52278	0.7
66.03302	0.7
78.55827	0.8
149.02339	8.6
165.05484	3.1
190.04984	1.6
193.04991	1.1
203.49838	0.8
306.07635	3.0
320.05511	9.3
320.09164	3.2
321.09613	1.2
322.10809	1.9
334.10681	1.7
335.07858	11.0
336.12473	3.4
336.24948	1.0
350.10211	7.3
352.11691	1.3
368.11420	1.7
384.21237	0.9
407.07532	1.0
408.08670	1.4
426.13293	1.1
436.08008	8.8
437.08841	7.1
438.09500	1.0
450.05435	0.9
454.12756	1.7
464.07672	9.1
465.08472	13.2
468.14551	1.5
478.10184	1.4
479.12363	0.9
480.10757	57.0
493.13852	3.7
498.12012	1.9
508.10400	20.5
508.17731	1.1
514.15057	4.4
526.11047	8.8
555.30811	1.7
577.93622	0.9
629.18799	1.5
641.15546	3.3
657.17682	1.8
669.14978	4.4
673.18457	3.3
687.15417	0.9
699.16357	1.9
701.17780	4.6
717.18744	100.0
717.35077	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40485	0.9
80.59603	0.7
92.20996	0.8
96.98889	0.8
97.29398	0.8
121.12281	1.0
261.07806	1.0
276.06750	1.2
277.07217	1.7
278.08066	4.1
290.07816	2.8
291.08905	9.1
304.05978	1.4
305.06802	4.0
306.07623	27.6
307.08435	12.8
308.09183	17.3
318.03973	3.3
318.07617	4.0
319.08368	14.4
320.05487	12.2
320.09128	4.0
321.09949	6.3
322.07138	5.7
322.10699	64.6
323.11456	3.7
324.12170	1.4
333.06381	6.4
334.10721	100.0
335.07849	10.2
336.09085	7.5
336.11771	7.0
337.12784	1.2
348.08533	4.3
350.10229	75.5
351.06775	1.5
351.10986	30.2
352.11783	4.2
364.08163	2.0
365.08414	1.1
366.09204	4.8
368.11499	1.1
487.41846	1.1
684.58057	1.2
693.91687	1.0
699.08331	1.6
699.19751	37.2
717.20544	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96548	0.9
58.06599	0.9
58.10081	1.1
62.93024	0.9
66.04781	1.0
92.21030	1.5
94.59888	0.9
110.89546	1.1
151.84615	1.2
165.05516	2.6
167.18262	1.0
168.81015	1.2
169.03497	1.2
190.05008	1.2
307.12021	2.0
319.08380	1.2
320.05588	3.8
320.09213	7.3
321.09818	3.6
322.10699	1.6
334.10620	9.4
335.11484	2.1
336.12418	4.0
350.10471	1.4
352.11722	10.0
353.12723	4.7
364.08282	6.0
402.91861	1.4
411.63184	1.2
426.13354	2.1
454.13013	1.4
468.14587	2.0
476.10052	1.4
478.11282	1.5
480.10941	4.1
484.13718	1.3
493.13895	6.3
496.13785	1.7
498.12067	2.3
512.13721	1.8
514.14917	7.1
629.18719	4.9
641.15375	1.3
643.17090	1.8
657.19055	2.1
659.16815	2.6
669.15045	5.3
673.18274	8.2
687.16077	2.1
701.17438	6.1
717.20703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25257	0.8
69.90232	0.8
73.56116	0.8
89.53754	1.0
104.41161	0.9
107.48266	0.9
149.48125	1.1
165.18680	0.9
172.03912	25.4
172.05185	1.3
189.35652	0.9
190.04984	100.0
292.09634	1.6
308.12851	3.4
320.05817	1.1
320.09177	1.7
321.09869	7.7
336.08679	13.5
336.12442	53.5
337.12955	5.5
380.07596	17.6
498.12296	1.1
514.15338	1.2
641.11169	1.1
717.20807	93.9
722.93402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.208
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74106	1.1
82.32973	1.3
92.71743	1.1
95.77800	1.2
98.23615	1.0
103.12016	1.1
111.17445	1.0
122.70952	1.1
165.05490	2.8
183.86844	1.3
193.04994	1.8
194.05254	1.2
205.76601	1.2
240.57994	1.2
320.05484	10.1
320.08920	2.7
321.09940	2.3
322.10632	4.6
334.10730	2.2
334.23593	8.6
335.07849	8.8
336.12234	2.8
350.10168	5.6
368.11206	1.8
408.08609	1.4
426.13187	2.3
436.07999	1.8
440.15057	1.5
452.11258	2.1
464.07471	2.5
465.08371	6.2
468.14362	2.0
480.10806	21.8
484.13748	1.6
493.13876	5.0
498.11816	2.6
508.10382	9.2
510.37558	1.3
512.13177	1.9
514.14868	5.6
526.10760	3.5
554.29333	1.8
555.30542	4.8
629.19226	2.4
633.54010	1.8
641.15271	5.7
657.17499	1.4
669.15271	4.4
673.17053	5.0
685.17450	1.7
687.15863	2.3
699.18695	2.3
701.17401	5.7
717.19507	100.0
717.35034	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03155	0.5
75.24706	0.5
88.39300	0.7
108.07169	0.6
113.33111	0.6
276.06503	1.1
277.11020	0.7
277.26337	0.5
279.12585	1.0
290.08215	1.1
291.08856	1.0
292.09641	0.7
302.08099	0.8
304.06213	1.4
305.06705	3.6
306.07672	2.7
307.08618	1.1
307.12122	1.4
308.09131	13.0
318.03931	2.4
318.07562	4.3
319.08340	14.9
320.05685	1.2
320.09247	3.4
321.09824	1.0
322.07800	1.5
322.10706	53.0
323.11459	4.3
333.06308	5.3
334.10703	100.0
335.07806	1.1
336.04929	1.0
336.08664	8.0
348.08551	3.7
350.10266	4.3
351.06693	0.9
351.10980	27.0
352.11795	3.7
364.08112	1.3
366.09720	3.6
368.11398	1.0
410.16626	0.9
507.10794	0.7
555.31262	16.9
681.18500	0.8
699.19678	39.3
717.20605	28.0
717.36060	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88407	0.9
100.09312	1.1
103.68775	0.9
110.80202	1.1
168.42010	1.3
177.05519	2.5
239.21658	1.1
265.07361	1.4
278.08102	9.3
282.07565	1.6
293.06979	2.2
294.07736	6.4
305.07175	1.5
306.07523	7.8
307.08368	2.3
308.09259	2.2
309.09991	10.0
319.08557	1.7
320.09125	4.5
321.06342	5.8
321.10068	18.3
322.07196	15.7
322.10593	2.1
325.09424	5.5
334.10748	5.5
336.05133	2.5
336.08698	28.7
336.12341	3.2
337.09418	20.7
337.12814	2.6
338.10214	30.0
351.07291	4.1
351.11044	32.7
352.08191	4.1
352.11874	8.1
366.09790	10.7
368.07837	1.6
378.09836	1.7
380.14984	2.0
383.09979	12.1
526.14764	1.7
657.22156	2.3
717.20856	100.0
718.77014	1.2
736.01819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40485	0.9
80.59603	0.7
92.20996	0.8
96.98889	0.8
97.29398	0.8
121.12281	1.0
261.07806	1.0
276.06750	1.2
277.07217	1.7
278.08066	4.1
290.07816	2.8
291.08905	9.1
304.05978	1.4
305.06802	4.0
306.07623	27.6
307.08435	12.8
308.09183	17.3
318.03973	3.3
318.07617	4.0
319.08368	14.4
320.05487	12.2
320.09128	4.0
321.09949	6.3
322.07138	5.7
322.10699	64.6
323.11456	3.7
324.12170	1.4
333.06381	6.4
334.10721	100.0
335.07849	10.2
336.09085	7.5
336.11771	7.0
337.12784	1.2
348.08533	4.3
350.10229	75.5
351.06775	1.5
351.10986	30.2
352.11783	4.2
364.08163	2.0
365.08414	1.1
366.09204	4.8
368.11499	1.1
487.41846	1.1
684.58057	1.2
693.91687	1.0
699.08331	1.6
699.19751	37.2
717.20544	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
97.49687	0.5
105.67812	0.6
157.89734	0.5
182.94368	0.6
276.06638	0.9
290.07977	3.2
291.08826	2.0
292.09808	0.6
302.08334	0.7
304.05969	2.3
305.06824	3.9
306.07544	1.2
308.09155	13.7
318.04044	2.9
318.07614	4.8
319.08368	16.5
320.09241	2.4
322.10718	52.7
323.11505	2.4
324.12097	1.2
333.06232	4.8
334.10718	100.0
335.08011	2.5
336.08640	8.5
348.08719	6.3
350.10117	5.2
351.10989	30.2
352.11792	3.4
364.08157	1.0
366.09686	4.5
512.13867	0.6
651.13428	0.9
699.19696	45.5
717.20728	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55313	0.4
71.95912	0.4
118.63082	0.5
123.78951	0.5
136.65016	0.5
144.68549	0.5
150.33142	0.4
158.72031	0.5
190.05016	0.7
293.10275	0.5
308.09058	2.8
319.07928	0.8
320.05463	0.9
320.08887	0.9
321.09979	1.0
322.06821	0.7
334.07184	1.4
334.10779	2.9
336.12286	2.2
350.10217	0.9
364.08029	0.6
367.10172	0.9
368.11279	100.0
468.11038	0.7
699.16461	0.6
701.17975	0.7
717.19855	8.2
717.34760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10590	0.4
57.12180	0.5
60.72304	0.6
73.31460	0.6
95.94131	0.6
175.03928	1.4
180.94400	0.6
244.64001	0.7
250.08603	0.7
262.08496	0.8
263.09479	1.1
264.06586	1.1
264.10175	0.8
267.09186	0.7
279.09021	3.3
279.12552	3.1
291.08966	1.3
292.06400	0.6
292.09821	3.1
293.06985	1.0
294.07813	3.0
294.11298	12.8
306.11392	0.8
307.08621	1.1
307.11948	9.0
308.09039	1.2
322.07263	1.1
323.11584	7.2
324.12476	1.4
338.10199	91.2
364.08154	1.2
366.09732	21.9
394.09015	5.8
453.14294	0.9
467.12250	0.7
481.14001	1.1
481.69363	0.7
482.15567	0.8
521.67371	0.8
575.56921	0.8
687.16211	2.5
701.17279	1.2
702.18433	0.8
717.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68476	0.9
54.83576	0.7
61.28338	0.7
82.49525	0.8
96.02610	0.9
113.51397	0.8
116.84652	0.9
136.57581	0.9
148.99225	1.0
165.05524	1.3
167.25438	0.7
172.03931	14.7
190.04980	72.5
193.04951	13.8
292.06186	1.1
293.07272	1.1
306.07730	1.3
308.13040	1.0
316.17249	0.9
319.08707	0.9
320.09128	1.6
321.09866	7.3
322.10645	1.5
334.07129	1.0
334.10873	1.1
336.08676	11.7
336.12454	41.3
337.13153	3.8
353.06885	1.1
367.76340	0.8
380.07620	13.0
442.12833	1.0
454.13348	1.1
470.12338	4.4
482.12668	1.1
498.11929	7.6
499.13309	1.1
509.13547	1.2
514.15002	1.9
528.16638	6.9
687.16223	1.3
717.20813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
82.43359	0.5
87.47149	0.5
117.68377	0.5
172.03922	20.9
172.05415	1.0
188.51176	0.6
190.04988	100.0
202.46851	0.7
228.33989	0.6
292.06165	2.9
292.09540	1.3
293.10486	0.9
307.12122	0.7
308.12909	3.8
320.05890	0.8
320.09250	3.8
321.06601	0.9
321.10016	6.5
322.10837	2.4
336.08691	10.6
336.12259	53.8
337.12921	4.4
365.05258	0.8
380.07648	14.1
408.09308	0.6
455.47696	0.6
498.11740	0.9
696.47278	0.7
717.20770	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68554	0.2
81.07059	0.2
85.93259	0.2
165.84163	0.2
252.89037	0.2
292.02771	0.4
292.05997	7.6
293.06790	0.3
304.05908	0.3
306.04019	0.4
320.05530	9.6
320.08817	0.7
321.06320	20.2
329.07486	0.2
335.11172	0.2
336.08664	100.0
348.26047	0.2
406.87512	0.2
717.17957	0.3
717.37964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40485	0.9
80.59603	0.7
92.20996	0.8
96.98889	0.8
97.29398	0.8
121.12281	1.0
261.07806	1.0
276.06750	1.2
277.07217	1.7
278.08066	4.1
290.07816	2.8
291.08905	9.1
304.05978	1.4
305.06802	4.0
306.07623	27.6
307.08435	12.8
308.09183	17.3
318.03973	3.3
318.07617	4.0
319.08368	14.4
320.05487	12.2
320.09128	4.0
321.09949	6.3
322.07138	5.7
322.10699	64.6
323.11456	3.7
324.12170	1.4
333.06381	6.4
334.10721	100.0
335.07849	10.2
336.09085	7.5
336.11771	7.0
337.12784	1.2
348.08533	4.3
350.10229	75.5
351.06775	1.5
351.10986	30.2
352.11783	4.2
364.08163	2.0
365.08414	1.1
366.09204	4.8
368.11499	1.1
487.41846	1.1
684.58057	1.2
693.91687	1.0
699.08331	1.6
699.19751	37.2
717.20544	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30801	0.6
68.43929	0.6
85.41895	0.7
87.20297	0.7
129.74615	0.8
158.99478	2.5
167.03728	0.9
173.01047	1.1
174.99033	1.2
185.01039	3.1
189.00569	1.6
190.04941	1.0
199.02672	1.0
202.06337	0.7
203.02023	0.7
245.04704	0.8
246.04736	0.7
247.04999	0.7
267.06873	1.0
268.07001	1.2
283.58084	0.8
292.06033	3.6
306.07584	6.8
306.10641	0.9
307.08487	4.2
317.06906	0.8
318.07657	2.7
319.08234	6.9
320.05536	100.0
320.08813	5.1
321.09897	12.8
322.07709	0.9
322.10739	25.1
334.06714	1.1
334.10593	10.9
335.07861	92.0
335.11014	3.8
336.12158	4.1
350.10233	56.4
368.11310	40.1
387.16711	7.9
405.17819	1.0
479.96265	0.7
589.08246	0.8
663.84686	0.8
717.20770	21.9
717.40790	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68531	0.8
56.35457	0.7
56.53594	0.7
59.37442	1.0
86.04505	0.9
178.90669	0.9
190.04997	1.3
292.09909	1.2
297.76877	1.0
306.07568	1.6
308.09476	1.1
318.07971	1.0
319.08563	1.4
320.09332	1.8
321.09991	5.0
322.10596	2.7
323.11542	2.3
334.10907	4.9
336.12280	11.7
337.12906	1.7
338.13931	12.1
349.09436	7.2
380.11401	3.9
400.68268	1.0
443.35880	1.0
462.11847	0.9
470.16724	1.6
490.11166	10.6
498.15109	6.6
499.16693	1.2
500.17291	11.6
503.03009	1.0
505.13870	58.8
512.16602	1.3
514.15216	6.3
520.16284	22.7
528.16693	12.1
529.17462	8.8
544.19672	27.6
609.16595	4.8
610.17511	1.4
623.17810	1.3
625.19141	4.1
627.17810	1.0
639.20917	1.7
641.19336	1.3
653.19238	1.3
655.17841	4.1
669.19244	1.7
671.20758	1.3
685.21802	41.0
717.24475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3665
Annotation	Amataine
Peak:m/z	Relative Intensity
54.96964	1.1
60.07631	1.1
61.07341	1.1
63.92955	1.0
67.93028	1.0
69.32515	1.2
75.09612	1.0
89.46342	1.2
89.86220	1.4
92.21619	1.5
92.38412	1.3
112.98153	1.1
116.51436	1.2
137.99867	1.2
141.63525	1.2
157.84988	1.2
157.88074	1.5
158.72850	1.2
160.71765	1.7
166.30437	1.3
187.70424	1.3
221.64243	1.4
239.29791	1.2
246.78203	1.2
306.07678	9.3
319.08316	1.5
320.05579	2.7
320.09125	1.9
321.09698	1.8
322.10648	2.3
334.06989	2.3
334.10684	1.9
335.07547	4.9
335.11215	2.3
336.12323	1.9
347.09445	1.6
350.10291	2.4
354.13168	1.8
364.08118	2.0
366.22443	2.7
384.10486	2.9
486.14673	1.3
555.31415	42.7
580.82062	1.4
659.17230	2.0
673.17865	2.7
687.15137	1.8
701.17584	6.6
717.20361	58.6
717.36115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04533	0.9
62.44733	0.7
64.43034	0.6
99.44483	0.8
174.05502	1.4
174.27797	0.7
185.04294	0.9
292.09772	1.2
294.11322	1.6
306.07553	3.1
306.10999	1.3
308.09235	4.1
318.07651	1.1
319.08426	1.8
320.09128	1.9
321.09970	4.9
322.10712	14.6
323.11395	1.8
334.07159	1.4
334.10724	18.3
336.08594	1.6
336.12183	8.7
337.12686	3.9
338.13998	2.8
347.09000	1.0
349.09198	5.7
350.10184	1.9
351.10974	4.1
352.11523	0.9
364.08029	1.4
368.11176	3.4
409.16391	1.2
410.16678	2.9
411.16971	1.8
482.94730	1.0
514.18298	1.0
537.30029	2.9
555.31476	44.4
625.15955	3.6
627.16986	1.1
655.20892	8.9
657.22168	2.9
671.20020	3.0
687.19702	1.5
699.19757	9.0
717.23468	51.2
717.36224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60966	1.0
54.65147	1.0
69.58850	0.9
83.01093	0.9
93.41738	0.9
95.08619	1.4
103.85141	1.1
115.60381	1.2
130.82614	1.0
170.09621	1.1
186.32079	1.3
259.07968	1.3
321.10147	2.4
322.10822	4.2
331.18930	1.8
334.10864	6.9
336.08942	1.1
336.12436	8.9
337.12790	1.9
338.13815	1.8
347.09579	1.5
368.11490	1.5
393.26346	2.1
409.16492	8.1
411.17276	1.1
507.89587	1.3
555.31415	45.1
633.37781	1.1
699.19580	1.6
717.24445	10.0
717.36664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3659
Annotation	Amataine
Peak:m/z	Relative Intensity
57.80870	1.2
75.51782	1.4
75.62808	1.2
102.64053	1.2
111.47536	1.2
115.44688	1.1
128.05197	1.6
133.91328	1.4
138.63965	1.3
164.46098	1.4
183.23904	1.3
218.15100	1.4
244.32660	1.5
259.07986	1.5
278.72733	1.4
285.65771	1.4
291.86713	1.4
320.05637	20.9
320.09195	4.8
321.09821	2.3
322.10861	7.1
335.07800	13.5
336.12344	5.8
350.10364	7.1
363.09033	2.2
368.11359	3.2
371.82288	1.4
443.22659	6.0
458.52899	1.8
493.15179	2.2
555.31317	32.8
605.27765	2.4
671.23376	2.2
717.24963	3.8
717.36676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32253	0.4
70.41344	0.3
80.32346	0.3
84.87572	0.3
88.59142	0.4
100.76148	0.4
162.57762	0.4
172.38103	0.4
180.49199	0.4
185.04266	0.8
196.77248	0.4
203.05287	0.7
259.07935	1.4
306.07706	2.4
307.08322	0.4
318.07614	0.5
319.08179	0.4
320.05591	2.4
320.09006	1.3
321.09674	1.6
322.10678	0.5
334.07257	0.6
334.10843	2.4
335.07956	1.8
336.12256	1.9
347.09631	2.0
350.10284	0.9
365.10120	0.5
368.11432	0.5
393.26080	2.5
421.13168	0.4
470.12759	0.4
537.30444	1.7
555.31403	40.5
685.86505	0.5
701.17487	1.5
717.21405	9.9
717.36603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81676	0.6
52.87787	0.7
59.63452	0.7
69.07102	0.8
69.29406	0.8
85.51788	0.8
87.17789	0.8
95.08601	0.9
101.54842	0.9
105.07062	0.9
121.06483	0.9
144.60872	0.9
268.21744	0.9
268.87494	1.0
292.09509	1.1
300.37903	0.8
301.93246	0.9
306.07767	0.9
320.09183	4.4
321.09872	10.5
323.11722	1.8
334.07172	1.0
334.10794	3.0
335.07800	1.0
335.11588	5.2
336.08655	7.8
336.12393	15.3
338.14044	1.2
351.11160	4.1
352.11893	1.1
354.13141	2.0
364.08148	1.7
365.08774	1.2
424.15857	1.2
464.11194	1.9
470.12201	8.8
480.11569	1.5
482.12500	5.1
484.10162	8.3
494.14655	1.3
496.13812	8.4
498.11902	27.6
499.12616	10.4
512.13269	1.7
514.15021	64.3
556.16089	26.8
584.15259	0.9
598.16840	1.1
627.17511	1.3
642.19812	31.7
644.17578	1.9
656.17560	1.1
658.15826	4.6
670.19550	6.6
672.17078	4.0
673.18079	1.5
686.18994	1.7
687.19867	1.4
688.20288	88.4
718.21234	100.0
718.34357	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81676	0.6
52.87787	0.7
59.63452	0.7
69.07102	0.8
69.29406	0.8
85.51788	0.8
87.17789	0.8
95.08601	0.9
101.54842	0.9
105.07062	0.9
121.06483	0.9
144.60872	0.9
268.21744	0.9
268.87494	1.0
292.09509	1.1
300.37903	0.8
301.93246	0.9
306.07767	0.9
320.09183	4.4
321.09872	10.5
323.11722	1.8
334.07172	1.0
334.10794	3.0
335.07800	1.0
335.11588	5.2
336.08655	7.8
336.12393	15.3
338.14044	1.2
351.11160	4.1
352.11893	1.1
354.13141	2.0
364.08148	1.7
365.08774	1.2
424.15857	1.2
464.11194	1.9
470.12201	8.8
480.11569	1.5
482.12500	5.1
484.10162	8.3
494.14655	1.3
496.13812	8.4
498.11902	27.6
499.12616	10.4
512.13269	1.7
514.15021	64.3
556.16089	26.8
584.15259	0.9
598.16840	1.1
627.17511	1.3
642.19812	31.7
644.17578	1.9
656.17560	1.1
658.15826	4.6
670.19550	6.6
672.17078	4.0
673.18079	1.5
686.18994	1.7
687.19867	1.4
688.20288	88.4
718.21234	100.0
718.34357	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79552	0.5
55.00787	0.5
56.71046	0.6
58.06597	0.6
59.02469	0.5
59.13147	0.6
59.44455	0.6
60.34662	0.5
62.37288	0.7
63.97849	0.5
72.55759	0.6
77.87885	0.6
93.07065	0.7
123.77254	0.7
125.05975	0.7
159.25360	0.7
204.19142	0.6
318.07538	2.2
319.08539	0.9
320.09222	3.8
321.09930	5.5
322.10623	1.2
323.11374	0.9
334.10754	2.8
335.11404	1.6
336.08694	1.9
336.12265	11.3
350.10025	0.9
351.10764	0.8
407.48987	0.7
452.11093	1.1
454.12747	1.2
469.15607	0.9
470.12122	5.8
471.12802	0.9
482.12338	2.9
484.10425	3.4
498.11966	14.5
499.12717	10.6
509.13788	0.8
514.15002	68.2
515.15662	1.1
556.15894	1.1
612.15283	0.8
626.16522	2.4
640.15778	0.7
642.19696	28.2
658.16699	1.3
660.17072	3.3
670.19232	6.6
672.16711	0.8
674.18811	2.8
686.18188	3.4
687.19153	1.1
688.20264	34.7
702.18103	2.8
718.21210	100.0
718.34271	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73930	0.5
73.54162	0.6
75.08930	0.6
82.77468	0.6
84.24680	0.6
87.35355	0.7
88.36828	0.6
92.91409	0.6
97.61763	0.6
100.32145	0.6
119.23678	0.7
220.64029	0.7
225.09596	0.8
278.08179	4.0
286.02390	0.7
291.08878	1.4
292.06262	1.0
292.56128	0.8
304.06091	0.9
306.07651	12.5
307.08511	4.7
318.07614	5.1
319.08304	8.2
320.05554	20.3
320.09140	6.6
321.10016	5.6
322.07486	1.8
322.10934	2.8
334.06921	3.0
334.10825	10.4
335.07819	22.5
335.11276	1.7
336.12198	12.4
338.13953	0.9
350.10208	100.0
400.14383	0.7
482.16275	0.8
708.48505	0.9
718.19513	5.2
730.68506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.8
59.51130	0.8
61.51472	0.9
81.70604	0.9
94.26876	0.9
105.52850	0.9
114.19598	0.8
137.05988	7.1
156.65007	0.9
167.07191	1.0
174.05476	1.1
177.05447	1.2
269.43295	0.9
290.07993	7.3
291.08926	1.9
299.05643	1.0
304.06067	4.7
306.07578	9.5
307.08426	3.8
318.07571	11.2
319.08350	37.7
320.05542	4.1
320.09180	9.1
321.09781	3.9
322.10745	5.6
334.07083	5.5
334.10684	76.0
335.07858	19.7
335.11462	2.0
336.12384	7.1
348.12216	1.1
350.10202	49.3
350.13947	10.3
376.43472	1.0
390.09708	1.3
451.14029	1.6
452.11084	1.2
456.14142	1.3
482.15744	4.7
498.15363	1.1
500.16748	4.7
521.54645	1.0
526.14917	11.0
544.15894	22.8
627.48914	1.0
672.21533	1.1
718.21246	100.0
733.07104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90804	0.9
52.64189	1.0
61.67578	1.0
63.39680	1.0
67.78387	1.1
70.70785	1.1
85.54036	1.1
150.60349	1.2
171.08301	1.3
177.05473	4.8
263.96909	1.1
278.08221	2.8
290.08212	2.6
291.08841	5.9
292.09525	1.4
304.06082	5.2
305.06708	1.5
306.07648	18.1
307.08298	7.1
308.08997	6.5
309.09607	5.8
318.07690	9.7
319.08356	22.8
320.05472	20.1
320.09018	16.2
321.09793	6.7
322.07196	2.2
322.10672	19.5
323.11087	13.7
334.07025	6.3
334.10699	51.5
335.07758	22.6
335.11108	19.4
336.08600	2.1
336.12244	11.0
350.10239	100.0
351.10928	7.3
352.11316	6.3
700.19873	13.9
718.21161	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58867	0.2
72.73647	0.3
190.05035	0.5
192.67134	0.3
235.85219	0.3
278.08066	4.0
289.07211	0.6
290.08044	1.8
291.08844	2.0
304.06046	1.6
305.07086	0.3
306.07608	14.2
307.08365	4.0
308.09137	0.4
317.06848	0.5
318.07620	5.8
319.08353	7.0
320.05511	20.9
320.09174	7.7
321.09818	2.3
322.07068	1.1
322.10770	3.3
334.07010	3.3
334.10764	9.4
335.07816	20.0
335.10849	1.0
336.12296	1.8
337.12613	0.4
350.10208	100.0
391.28580	0.4
482.16037	0.5
700.19775	1.5
718.20636	3.6
718.32690	0.4
748.79553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33461	0.6
66.25331	0.6
67.60079	0.7
72.52057	0.7
92.44279	0.7
219.10373	0.8
290.08105	14.2
292.09921	1.2
302.08176	4.4
304.06052	13.7
318.07663	17.6
319.08398	75.5
320.09311	4.3
321.09726	0.9
334.10739	100.0
336.12393	4.5
457.36731	0.9
514.15314	1.4
561.12134	0.8
688.20325	1.2
700.20374	1.0
718.22827	52.5
718.34271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17437	0.3
54.96716	0.4
59.69150	0.4
69.03423	0.9
78.48640	0.4
85.02911	1.6
97.02915	0.6
99.04473	0.5
133.27719	0.5
174.05547	2.2
187.06287	0.7
190.04913	0.5
198.93727	0.5
275.34552	0.5
302.08148	2.4
304.06314	0.7
305.06720	0.6
308.09286	0.5
318.07693	0.9
319.08408	7.3
320.09109	14.0
321.09879	2.0
322.10522	5.1
334.10641	16.9
335.11200	1.9
336.12393	2.7
338.14151	0.5
368.72943	0.5
371.11581	0.9
384.12585	0.5
462.17166	0.7
478.16422	0.7
492.18164	1.7
510.19278	2.4
520.21429	2.4
522.18958	2.1
538.22009	4.6
540.20020	3.1
556.23438	3.8
718.28638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
58.06597	0.7
69.03425	0.9
70.17873	0.4
79.05492	0.6
85.02903	6.6
91.05465	4.6
95.04945	0.8
97.02886	1.9
98.80942	0.4
99.04458	0.5
103.05467	18.1
103.39181	0.4
105.07024	13.0
109.02859	0.7
115.05443	1.9
119.04938	16.5
127.03940	0.9
131.04919	100.0
133.02847	8.7
133.06490	26.0
133.07504	0.7
137.05975	34.5
143.06053	2.0
147.04402	8.7
149.05899	1.5
151.07530	14.3
157.06540	0.5
159.08063	0.7
161.05963	66.6
162.06757	0.7
163.07524	34.4
165.05452	2.5
172.05150	0.6
175.07552	7.4
179.06993	14.1
187.07530	10.1
189.09059	2.3
199.07451	1.0
217.08577	5.5
219.08069	0.8
231.08102	0.8
235.09662	1.0
247.07574	0.8
251.10626	4.3
259.07578	0.7
263.10632	1.0
279.10141	3.4
291.10077	3.2
296.10281	1.7
311.12759	12.8
323.12689	5.8
329.23431	0.5
331.50607	0.5
341.13766	10.4
342.93716	0.4
359.14960	5.7
503.18878	0.7
521.20154	9.3
535.77606	0.5
724.08063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.28156	0.5
60.39024	0.5
61.00202	0.6
69.03429	0.8
79.05482	0.7
85.02911	5.1
91.05486	4.8
97.02915	1.1
103.05466	18.2
105.07029	14.3
115.05430	1.5
119.04931	15.2
127.03881	1.4
130.62785	0.6
131.04926	100.0
133.02872	9.0
133.06491	22.0
137.05981	41.6
137.07053	1.2
143.06068	1.4
146.07355	0.7
147.04399	7.5
149.06001	0.8
151.07538	13.9
157.06465	1.3
161.05972	64.5
163.07539	29.2
165.05492	2.9
175.07550	8.1
177.05446	1.0
179.07022	12.7
187.07506	10.1
189.09125	4.0
199.07631	1.1
217.08615	7.2
231.07954	0.9
235.09634	1.5
247.07594	0.8
251.10660	5.1
263.10648	0.9
267.50952	0.7
279.10156	3.6
291.10095	3.2
296.10431	0.9
311.12799	13.9
323.12888	7.5
341.13821	12.0
351.59128	0.7
359.14755	5.1
512.85449	0.7
521.20264	6.2
702.13702	0.8
718.28058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74152	1.0
55.86949	0.9
58.06593	6.0
69.03438	1.5
72.88628	1.0
85.02922	13.4
88.00817	1.3
89.09027	1.1
97.02886	2.3
99.04432	1.8
103.05476	2.5
114.50824	1.1
129.07024	1.6
131.04955	16.9
137.05984	86.5
147.04427	2.0
151.07524	2.0
153.05452	1.5
157.06471	4.8
163.07538	4.4
174.06760	2.1
175.07507	24.7
187.07541	63.2
189.09109	24.3
199.07556	2.2
199.40596	1.2
205.08618	2.9
210.05089	1.4
217.08571	22.2
219.08154	2.1
231.08141	3.1
235.09645	2.2
247.07520	6.9
248.08199	1.4
251.10583	2.0
253.10690	1.7
259.07486	5.0
263.10757	13.0
263.57419	1.4
264.07535	1.3
270.08856	2.5
271.09555	2.3
276.07761	4.7
279.10071	14.7
291.10150	29.2
292.11017	1.8
296.10406	6.6
308.09940	5.1
311.12830	15.8
323.12744	25.8
341.13849	100.0
359.14954	8.0
398.50916	1.3
464.94498	1.6
503.18881	3.0
535.45154	1.7
596.06494	1.6
718.29199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75042	3.8
55.99838	3.2
67.05516	4.7
81.07059	6.2
89.63576	3.7
119.58051	3.5
152.45522	3.6
175.86678	3.8
194.07547	4.1
279.90445	4.3
320.09106	5.9
349.05978	6.6
364.08163	100.0
718.35339	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
55.46854	0.2
62.54476	0.2
67.05472	1.5
69.07024	0.4
75.76402	0.2
79.62950	0.3
81.07020	1.4
83.08578	0.4
92.21552	0.6
93.06998	0.3
95.08575	1.2
96.31040	0.2
98.98421	0.4
107.08530	0.3
112.00397	0.3
126.34120	0.3
144.72212	0.3
164.93823	0.3
165.05440	1.7
172.03856	0.6
184.07355	1.1
190.05005	9.3
201.43108	0.3
218.04428	0.4
235.06285	0.5
257.19995	0.3
262.08698	0.4
263.05746	1.5
264.06543	1.5
265.07303	0.4
276.06662	1.0
277.07321	1.2
290.08044	2.0
292.06018	4.3
292.09338	0.8
293.06839	3.1
302.04346	0.4
303.05215	4.0
304.06070	0.5
305.06821	1.2
306.07657	1.3
308.05539	0.7
318.07581	6.7
320.05582	8.4
320.09174	1.1
321.06418	2.4
331.04651	2.5
332.05402	0.5
334.07242	0.5
335.07968	0.4
336.08630	0.5
337.27466	0.7
346.07095	5.7
347.08081	1.0
348.05051	2.6
349.05780	10.8
350.06598	1.2
364.08142	100.0
456.13297	0.4
700.34491	2.9
718.35748	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21690	3.7
61.51203	4.5
67.05493	10.8
69.07074	50.3
71.83298	4.6
80.07224	4.3
81.07057	31.8
83.08627	11.4
95.08595	39.1
97.10173	5.8
107.08585	6.3
109.10168	26.3
123.11707	7.9
133.10168	5.2
176.31013	4.7
185.09659	8.3
201.09091	8.8
213.09105	23.1
231.10103	12.0
236.09438	5.3
241.08539	25.6
255.10020	6.0
257.15329	6.8
259.09631	24.0
269.15424	34.7
294.96036	5.6
297.14825	8.8
303.16049	6.4
315.15915	100.0
337.21564	19.5
383.22232	57.8
439.28510	31.8
461.08179	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
57.07076	2.1
63.95377	0.9
67.05495	4.1
69.07066	14.6
71.08645	1.2
81.07053	9.7
83.08634	7.4
90.22635	1.0
90.47545	1.3
92.92412	1.1
93.07028	5.4
93.56454	1.0
95.08600	8.2
97.06528	1.3
97.10168	5.1
107.08607	8.4
109.10178	12.1
114.09109	1.0
117.97621	1.2
121.10159	4.7
123.11709	4.9
133.10115	4.1
135.11699	6.4
147.11703	2.4
149.13263	1.5
162.68727	1.1
170.91080	1.0
177.45621	1.0
201.09061	4.5
209.09515	1.2
215.10622	1.2
223.11066	1.2
225.09129	4.5
225.12679	1.2
225.98170	1.1
227.10695	5.0
237.09053	3.8
239.10558	1.8
239.33638	1.0
241.12236	5.2
243.10071	1.6
250.13168	1.0
251.14256	4.6
253.08636	1.8
253.12244	6.4
255.13799	1.9
259.09656	5.8
265.08600	2.2
265.12238	4.2
267.10193	1.2
267.13815	6.0
269.11774	1.3
269.15115	1.2
275.14182	1.5
279.10852	1.6
279.13785	9.4
280.14374	1.1
281.11871	1.5
281.15421	1.3
282.27798	8.0
285.11249	5.4
287.12784	1.6
293.11917	2.0
293.15286	5.9
295.13348	4.6
297.14890	1.2
299.12723	6.9
301.14096	1.6
307.13406	2.2
307.17053	2.0
307.20456	15.0
309.14853	1.2
312.13440	1.3
313.14545	1.6
317.18753	1.7
320.13992	1.7
321.14896	4.7
323.19955	1.9
325.14346	5.7
335.20038	31.4
335.23849	1.3
337.17966	1.1
351.35083	1.2
353.17352	4.7
353.21051	10.3
355.18924	1.6
363.19583	9.0
381.20581	100.0
419.25702	1.4
437.26837	27.5
480.33206	1.1
718.36084	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11279	1.0
91.54166	1.2
93.34894	1.3
110.56107	1.2
166.79385	1.1
190.04994	5.4
278.08203	2.0
287.85001	1.3
291.04895	1.3
303.08771	2.1
306.07672	14.4
317.09274	10.4
318.07657	2.3
320.05423	5.5
320.09189	7.5
321.09879	2.4
322.10583	2.1
334.07098	100.0
335.07776	5.2
336.08530	1.7
336.12231	2.7
337.12988	1.7
348.08694	2.0
349.09460	81.9
350.10236	23.0
352.11176	1.4
368.79599	1.2
460.95392	1.4
511.14993	1.5
526.13708	1.6
701.19781	2.7
719.21710	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88841	0.8
61.01138	0.7
64.95484	0.7
76.60841	0.8
78.00375	0.8
110.05148	0.8
134.54524	0.8
146.99071	0.9
220.86095	1.2
290.08133	1.4
291.08780	1.2
305.06473	1.3
307.08377	1.2
307.82291	1.0
308.09308	3.6
310.10849	4.6
318.07712	2.2
319.08405	7.5
320.08932	7.6
321.09915	3.7
322.10666	2.1
324.12344	4.8
334.10745	14.1
335.11050	6.4
336.12262	19.3
338.10083	1.4
338.13855	1.0
353.12509	5.1
431.98495	0.9
465.46530	0.9
467.15985	4.5
469.14069	6.2
477.14252	1.4
479.16309	1.8
481.14090	6.2
483.15576	24.9
493.14243	4.4
494.14691	1.6
495.15564	22.8
496.16580	2.0
497.13336	26.4
498.14182	1.4
511.14764	43.5
512.15857	27.6
527.18127	49.3
671.16370	3.4
675.19080	3.8
687.19385	1.9
689.18073	1.9
701.20618	6.0
703.18793	5.7
719.20007	100.0
730.12836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32777	0.7
55.40142	0.8
55.85279	0.7
57.27444	0.8
70.39271	0.8
114.47781	0.9
187.34639	0.9
290.08160	1.7
293.06833	2.0
296.72568	0.9
304.06384	1.1
307.08310	1.8
308.09082	1.9
318.07535	1.0
319.08334	4.9
320.09085	5.8
321.06274	3.6
321.09921	1.8
322.10559	2.6
334.10580	12.0
335.07593	1.4
335.11295	1.5
336.08667	3.9
336.12097	2.7
366.09647	1.1
451.12936	1.2
466.15158	1.6
468.13235	1.1
469.13702	5.1
477.14240	1.2
483.15469	33.1
493.13742	1.8
494.14380	2.1
495.15646	15.2
496.12433	1.1
497.13452	34.1
511.15002	57.2
512.15735	30.2
527.18158	52.6
701.16858	6.1
719.18732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79551	0.6
60.59547	0.6
186.26830	0.7
190.04977	4.4
217.91518	0.7
278.08112	6.1
290.07880	0.8
291.05536	1.0
291.08881	1.6
292.06522	0.9
292.09729	0.9
297.97061	0.8
304.06009	1.2
305.06870	1.8
306.07574	31.3
307.12161	0.8
318.07663	3.0
319.08395	1.5
320.05545	3.8
320.09158	6.1
321.09717	5.1
322.10779	1.5
334.07089	100.0
334.10617	5.5
335.11221	2.9
336.08630	1.1
336.12347	1.7
348.08752	1.5
349.09424	50.3
349.13724	1.6
350.10132	10.1
351.18488	1.2
352.11572	0.8
689.21338	1.3
719.18689	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88841	0.8
61.01138	0.7
64.95484	0.7
76.60841	0.8
78.00375	0.8
110.05148	0.8
134.54524	0.8
146.99071	0.9
220.86095	1.2
290.08133	1.4
291.08780	1.2
305.06473	1.3
307.08377	1.2
307.82291	1.0
308.09308	3.6
310.10849	4.6
318.07712	2.2
319.08405	7.5
320.08932	7.6
321.09915	3.7
322.10666	2.1
324.12344	4.8
334.10745	14.1
335.11050	6.4
336.12262	19.3
338.10083	1.4
338.13855	1.0
353.12509	5.1
431.98495	0.9
465.46530	0.9
467.15985	4.5
469.14069	6.2
477.14252	1.4
479.16309	1.8
481.14090	6.2
483.15576	24.9
493.14243	4.4
494.14691	1.6
495.15564	22.8
496.16580	2.0
497.13336	26.4
498.14182	1.4
511.14764	43.5
512.15857	27.6
527.18127	49.3
671.16370	3.4
675.19080	3.8
687.19385	1.9
689.18073	1.9
701.20618	6.0
703.18793	5.7
719.20007	100.0
730.12836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65215	0.3
55.05487	0.8
56.18333	0.3
57.84719	0.3
58.40805	0.4
69.03394	0.5
83.04987	16.8
83.05445	0.7
85.02888	0.7
111.03725	0.7
111.04443	17.5
129.05415	1.8
143.15283	0.4
153.05450	6.3
171.06442	2.5
177.05356	0.5
183.96278	0.4
201.28323	0.3
213.07596	0.4
231.08607	6.6
242.05724	0.4
270.05176	1.4
285.07559	100.0
292.09634	0.7
308.09137	0.5
319.08325	0.5
320.09116	3.8
321.09863	1.7
322.10538	0.7
323.11447	0.8
324.12173	0.5
334.07037	1.6
334.10803	0.7
336.08618	0.6
336.12259	6.2
337.12671	1.8
338.13812	0.4
340.11780	7.6
349.09488	0.5
368.11435	0.5
454.87271	0.4
483.12137	0.4
489.14008	7.1
499.12253	0.8
500.12573	0.5
514.14874	1.7
515.15582	4.3
557.16272	0.8
581.16315	0.7
625.19086	0.4
643.19977	2.2
689.20941	3.8
719.21851	21.9
719.34564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62112	0.7
67.05495	0.9
69.91628	0.7
83.04977	15.6
88.67630	0.8
91.19621	0.7
101.48656	0.7
111.04445	19.9
127.81789	0.7
129.05463	0.8
148.56998	0.8
153.05453	4.1
171.06534	1.4
199.22997	0.8
231.08647	5.7
240.14119	0.9
270.05319	1.4
285.07553	100.0
292.09744	0.8
306.07611	1.8
319.08380	1.5
320.09268	1.3
321.09970	1.8
323.11417	1.1
326.09998	0.8
334.07141	9.7
334.10712	1.5
336.12210	9.1
337.12543	3.2
340.11765	6.0
349.09473	4.3
350.10010	1.0
384.50058	0.9
489.13824	6.3
515.15021	5.2
643.19824	1.7
689.19952	4.1
719.21655	22.5
719.34998	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30790	0.8
55.66052	0.9
56.74569	1.1
60.70715	1.1
99.04612	1.1
104.26968	1.1
104.70358	1.0
115.60308	1.1
176.66759	1.1
181.00409	1.1
183.01051	1.2
261.42160	1.1
276.10083	1.4
291.12653	1.9
292.09912	2.2
292.13431	1.4
293.10526	1.4
294.11264	2.5
304.09842	4.7
305.10376	2.3
306.07678	6.8
306.11368	5.6
307.08301	5.1
307.11841	1.7
308.09259	4.8
308.12686	1.2
318.07379	2.0
319.08493	8.3
320.05682	2.8
320.09171	10.5
320.12939	17.3
321.06229	1.8
321.09839	6.7
322.10883	11.0
322.14438	2.0
323.11545	12.6
334.10687	17.6
335.07834	4.7
335.11285	5.7
336.08356	5.4
336.12238	31.7
338.13895	17.8
350.10236	22.2
351.10577	22.2
382.09216	9.5
385.35965	1.1
481.13864	2.5
495.16083	1.3
511.18814	2.5
629.16284	1.2
673.18152	5.1
689.17804	5.3
693.67975	1.3
703.19354	4.9
719.22241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13721	0.6
118.50979	0.6
120.63201	0.6
141.21635	0.7
144.04453	0.7
147.04420	3.4
174.05492	12.0
175.03894	30.5
190.04973	1.0
196.86450	0.9
209.04555	3.1
220.05922	0.7
285.07590	0.8
292.06076	3.6
292.09656	2.3
293.10565	3.2
294.11383	1.2
296.09113	1.3
306.07593	1.0
307.08466	0.7
307.11987	0.7
308.09241	6.5
308.12854	6.1
309.10007	1.0
320.09125	1.0
321.06308	2.2
321.10098	4.4
322.07233	1.4
322.10764	8.1
323.08185	0.7
323.11679	3.7
324.08618	2.6
324.12167	0.9
333.06339	1.3
334.10953	0.8
336.08636	15.0
336.12411	38.2
337.06931	2.2
337.13037	8.1
338.10229	1.4
338.13934	6.5
349.05896	1.2
354.09738	17.1
364.08105	57.8
368.11615	0.8
382.09253	2.5
527.42365	0.7
534.39124	0.7
675.18530	0.8
689.17560	2.4
703.19708	1.1
719.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.222
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10840	1.0
69.50047	1.2
77.51773	1.2
79.04628	1.3
80.48450	1.3
91.86793	1.3
92.71127	1.4
93.29961	1.5
95.90902	1.0
107.15653	1.2
120.32157	1.2
125.39159	1.2
125.40124	1.3
140.48473	1.1
193.04926	1.3
209.66118	1.2
319.08490	1.4
320.09232	12.0
321.10004	7.9
322.10849	3.1
334.07330	1.8
334.11032	6.0
334.36234	1.3
335.11453	1.6
336.12424	11.7
339.59448	1.4
364.08298	1.7
366.10098	1.8
453.14679	2.2
467.16214	5.7
481.14215	5.7
483.15637	7.1
495.15720	15.9
496.16638	1.8
497.13629	6.4
511.15396	11.1
511.20340	2.8
512.16034	5.9
527.18146	10.6
643.16931	1.8
645.18298	1.6
671.16418	3.1
675.20215	5.2
687.19531	5.1
689.17706	7.7
694.88947	1.6
701.21045	1.4
703.19714	6.2
704.19757	1.6
719.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
87.42789	0.4
95.13311	0.5
96.21623	0.4
118.66723	0.5
119.88861	0.4
132.38089	0.4
178.59883	0.4
285.07321	0.4
320.09210	1.9
321.09940	0.9
322.10654	0.7
334.10880	0.9
335.11121	0.6
336.12228	4.7
337.12808	2.5
338.13885	0.9
434.12857	0.7
435.13528	0.6
437.11609	0.9
449.11279	1.1
450.15878	0.8
451.13110	1.0
452.14023	0.8
453.14398	8.2
461.15463	3.1
463.13000	1.0
464.13785	1.8
465.10281	0.7
466.15924	1.9
467.16129	25.5
477.14420	4.7
478.15317	0.7
479.16217	19.1
480.13235	2.5
481.13943	31.6
482.15024	1.9
495.15485	49.7
496.16260	10.3
511.18628	21.0
599.18323	0.7
627.17426	0.6
628.15210	0.6
631.20874	0.7
643.19806	0.7
645.18817	3.0
656.14270	0.8
659.19733	1.1
671.16534	2.9
719.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30790	0.8
55.66052	0.9
56.74569	1.1
60.70715	1.1
99.04612	1.1
104.26968	1.1
104.70358	1.0
115.60308	1.1
176.66759	1.1
181.00409	1.1
183.01051	1.2
261.42160	1.1
276.10083	1.4
291.12653	1.9
292.09912	2.2
292.13431	1.4
293.10526	1.4
294.11264	2.5
304.09842	4.7
305.10376	2.3
306.07678	6.8
306.11368	5.6
307.08301	5.1
307.11841	1.7
308.09259	4.8
308.12686	1.2
318.07379	2.0
319.08493	8.3
320.05682	2.8
320.09171	10.5
320.12939	17.3
321.06229	1.8
321.09839	6.7
322.10883	11.0
322.14438	2.0
323.11545	12.6
334.10687	17.6
335.07834	4.7
335.11285	5.7
336.08356	5.4
336.12238	31.7
338.13895	17.8
350.10236	22.2
351.10577	22.2
382.09216	9.5
385.35965	1.1
481.13864	2.5
495.16083	1.3
511.18814	2.5
629.16284	1.2
673.18152	5.1
689.17804	5.3
693.67975	1.3
703.19354	4.9
719.22241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.222
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10840	1.0
69.50047	1.2
77.51773	1.2
79.04628	1.3
80.48450	1.3
91.86793	1.3
92.71127	1.4
93.29961	1.5
95.90902	1.0
107.15653	1.2
120.32157	1.2
125.39159	1.2
125.40124	1.3
140.48473	1.1
193.04926	1.3
209.66118	1.2
319.08490	1.4
320.09232	12.0
321.10004	7.9
322.10849	3.1
334.07330	1.8
334.11032	6.0
334.36234	1.3
335.11453	1.6
336.12424	11.7
339.59448	1.4
364.08298	1.7
366.10098	1.8
453.14679	2.2
467.16214	5.7
481.14215	5.7
483.15637	7.1
495.15720	15.9
496.16638	1.8
497.13629	6.4
511.15396	11.1
511.20340	2.8
512.16034	5.9
527.18146	10.6
643.16931	1.8
645.18298	1.6
671.16418	3.1
675.20215	5.2
687.19531	5.1
689.17706	7.7
694.88947	1.6
701.21045	1.4
703.19714	6.2
704.19757	1.6
719.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	0.9
60.35411	0.4
61.48423	0.4
73.66824	0.5
91.05477	0.6
100.34716	0.5
147.04463	0.6
157.35400	0.6
175.03941	0.7
181.08525	0.8
207.06500	2.0
291.08508	0.7
292.09720	0.7
304.06119	0.9
305.06082	0.6
306.07581	0.7
318.07639	0.9
319.08096	5.4
320.08893	6.2
321.09491	1.2
322.10696	4.6
323.11267	3.7
334.10645	9.5
335.11136	4.3
336.12067	1.9
364.07932	2.2
433.11938	0.6
434.13043	0.7
435.02237	0.5
435.13522	2.1
450.15692	1.1
451.12860	2.7
453.14337	7.7
455.17819	0.6
461.14972	2.8
462.11856	0.8
463.13040	2.5
464.13434	1.1
466.15387	0.9
467.15930	28.7
477.14496	4.6
479.16028	19.6
480.12766	1.0
481.13791	28.4
482.14490	1.1
493.13821	1.3
495.15375	43.5
496.16339	10.4
511.18683	18.1
601.17218	0.6
628.14716	0.7
645.18805	1.0
659.19904	2.2
669.18091	0.7
671.16443	3.4
719.22089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13721	0.6
118.50979	0.6
120.63201	0.6
141.21635	0.7
144.04453	0.7
147.04420	3.4
174.05492	12.0
175.03894	30.5
190.04973	1.0
196.86450	0.9
209.04555	3.1
220.05922	0.7
285.07590	0.8
292.06076	3.6
292.09656	2.3
293.10565	3.2
294.11383	1.2
296.09113	1.3
306.07593	1.0
307.08466	0.7
307.11987	0.7
308.09241	6.5
308.12854	6.1
309.10007	1.0
320.09125	1.0
321.06308	2.2
321.10098	4.4
322.07233	1.4
322.10764	8.1
323.08185	0.7
323.11679	3.7
324.08618	2.6
324.12167	0.9
333.06339	1.3
334.10953	0.8
336.08636	15.0
336.12411	38.2
337.06931	2.2
337.13037	8.1
338.10229	1.4
338.13934	6.5
349.05896	1.2
354.09738	17.1
364.08105	57.8
368.11615	0.8
382.09253	2.5
527.42365	0.7
534.39124	0.7
675.18530	0.8
689.17560	2.4
703.19708	1.1
719.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91702	1.2
66.09511	1.1
69.03441	5.0
73.02924	1.5
81.03414	2.5
81.16105	1.1
85.02912	2.6
109.02937	2.0
127.03949	1.6
148.05205	2.2
166.06236	9.8
181.08589	38.3
181.10063	2.4
190.06346	2.5
191.07082	1.6
205.08685	7.8
205.92033	1.3
221.08145	1.7
265.08658	6.4
293.08066	2.9
294.11151	1.3
319.08575	1.7
320.05676	2.2
321.06137	1.6
334.10776	3.0
335.07816	2.3
336.08441	2.3
370.12845	2.2
378.52228	1.5
393.11539	1.7
395.13364	1.7
405.11298	1.6
406.12036	1.6
409.10660	2.1
410.11334	2.3
417.11194	1.5
421.10443	1.9
423.12119	1.6
435.12457	4.4
437.14227	2.7
439.16046	1.9
448.13028	2.0
449.14468	1.7
451.11597	1.8
453.13385	2.3
455.15305	1.5
464.11774	1.7
465.13641	5.7
467.14990	7.7
479.14957	5.4
481.12680	2.1
483.14319	2.3
494.12881	1.5
497.16547	2.4
499.18118	2.4
511.17691	2.6
529.18463	1.5
539.16858	4.5
557.18005	62.1
559.20007	1.8
689.22540	12.2
701.21643	8.0
719.23248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63390	0.8
54.20734	1.1
55.35838	1.0
57.94413	0.9
65.22823	1.0
82.63694	1.0
111.69635	1.0
135.13742	1.1
166.63631	1.1
174.05629	1.5
175.03912	5.9
204.37842	1.2
292.47266	1.2
304.09528	1.3
306.07626	1.8
307.07840	1.3
308.09198	2.4
308.12689	2.5
309.10031	2.6
320.09256	7.8
321.09857	1.6
322.10675	7.2
324.12231	2.3
334.07077	5.1
334.10767	1.7
335.11221	1.6
336.08804	1.9
336.12219	14.1
337.12933	7.1
347.09296	2.0
349.09656	1.5
354.09747	2.6
364.08145	7.6
368.11356	6.8
369.11655	8.3
370.12000	9.3
395.27426	1.9
475.46619	1.4
484.13562	2.4
557.33032	40.5
661.17700	1.6
689.17578	1.8
692.08789	1.3
719.21875	48.1
719.37738	100.0
719.71985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69943	0.8
58.61743	0.7
68.31696	0.6
72.29904	0.7
87.41224	0.7
100.09799	0.8
161.09880	0.7
205.64304	0.8
246.16936	0.9
251.16243	0.7
347.09525	1.8
484.26059	0.8
528.92987	0.8
557.36554	33.5
719.41858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54690	0.2
65.03421	0.2
65.70252	0.2
85.35187	0.3
91.46337	0.3
102.12947	0.2
102.32861	0.2
177.05414	0.3
215.34552	0.2
290.08093	11.0
302.08084	3.3
304.06003	9.0
304.09488	0.3
318.07593	13.7
319.08374	56.1
321.09839	0.4
322.10834	0.3
334.10712	100.0
336.12222	1.2
337.12921	0.4
345.55103	0.3
352.15375	2.3
463.28235	0.3
477.18164	0.3
505.44116	0.3
647.74713	0.3
649.11377	0.3
688.78326	0.3
720.21356	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76681	0.3
54.28438	0.3
54.77398	0.3
70.08335	0.3
85.97620	0.3
88.24087	0.3
95.75690	0.3
104.27916	0.3
132.89734	0.3
137.05962	1.6
174.05505	0.6
177.05421	0.7
260.92865	0.3
290.08121	6.8
291.08682	0.4
302.08011	1.6
304.06027	5.0
307.37762	0.3
308.09177	0.7
308.12631	0.4
318.07553	7.0
319.08386	40.7
320.09073	5.4
322.10587	0.4
334.10733	100.0
335.11002	0.4
336.12222	3.7
337.13141	1.9
342.07437	0.4
343.08133	0.6
352.15390	6.3
367.11493	0.4
371.07993	0.5
375.07382	0.5
386.10254	2.5
386.57446	0.4
388.08118	0.5
404.11221	0.7
446.12119	0.4
482.13263	0.4
496.13425	0.5
540.16315	2.7
558.17517	0.6
720.22791	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31834	0.4
55.61140	0.4
63.73170	0.6
86.12657	0.6
140.16965	0.6
181.93877	0.6
270.54816	0.5
285.76352	0.5
290.08179	10.8
302.08154	3.7
304.05981	10.9
318.07587	16.2
319.04962	0.9
319.08386	58.9
334.10724	100.0
445.06219	0.7
720.22797	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
80.21665	0.1
86.78493	0.0
91.18624	0.1
102.05106	0.0
273.07758	0.1
276.06393	0.4
289.07330	0.3
290.08084	10.5
302.08109	3.3
303.08881	0.3
304.06015	9.7
305.06885	0.1
307.11240	0.1
316.06189	0.1
318.07587	13.3
319.08371	55.1
334.10706	100.0
342.07523	0.1
343.08493	0.1
358.10632	0.1
386.09909	0.5
595.07062	0.1
720.22791	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67534	0.3
61.69228	0.4
75.79782	0.4
78.78661	0.4
100.57943	0.5
253.34779	0.4
277.53839	0.4
290.08054	10.8
302.08228	3.6
304.06021	10.2
318.07596	13.8
319.08383	55.9
334.10718	100.0
460.42749	0.5
561.25714	0.5
720.22815	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67534	0.3
61.69228	0.4
75.79782	0.4
78.78661	0.4
100.57943	0.5
253.34779	0.4
277.53839	0.4
290.08054	10.8
302.08228	3.6
304.06021	10.2
318.07596	13.8
319.08383	55.9
334.10718	100.0
460.42749	0.5
561.25714	0.5
720.22815	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99583	0.1
179.68062	0.2
182.50795	0.2
276.06485	0.6
290.08105	10.6
290.11349	0.3
302.08051	3.7
304.06021	10.0
314.36508	0.2
318.03812	0.3
318.07602	13.6
319.08380	55.1
334.10721	100.0
500.16443	0.2
550.55829	0.2
629.32990	0.2
720.22821	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67534	0.3
61.69228	0.4
75.79782	0.4
78.78661	0.4
100.57943	0.5
253.34779	0.4
277.53839	0.4
290.08054	10.8
302.08228	3.6
304.06021	10.2
318.07596	13.8
319.08383	55.9
334.10718	100.0
460.42749	0.5
561.25714	0.5
720.22815	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53702	0.2
65.19876	0.3
94.19106	0.3
102.73630	0.3
112.00179	0.3
132.18073	0.3
138.38034	0.3
290.08127	9.5
302.08133	2.9
302.64410	0.3
304.06049	8.6
318.03882	0.5
318.07574	14.3
319.08374	54.3
331.15369	0.4
334.10715	100.0
336.12326	0.5
398.58325	0.4
705.83752	0.4
720.22778	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91607	0.3
76.73669	0.4
77.55925	0.3
78.10398	0.3
86.70281	0.3
92.30997	0.3
112.02969	0.4
134.24120	0.4
290.08118	10.8
302.08173	2.7
304.05966	9.7
304.09164	0.7
308.12701	4.6
318.07587	13.6
319.08368	56.6
320.08981	0.8
320.12592	0.7
322.10788	3.5
334.10715	100.0
335.11011	0.6
336.12241	8.4
337.13092	12.8
352.15421	42.6
363.56021	0.4
426.80301	0.4
457.32230	0.4
700.01447	0.4
720.22852	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58230	0.2
67.20766	0.2
71.95132	0.2
71.97005	0.2
76.06890	0.2
78.22811	0.2
80.34110	0.2
83.98019	0.2
118.72181	0.2
125.17426	0.3
130.53041	0.2
136.55814	0.3
147.01926	0.2
153.05403	0.5
174.05502	1.3
273.47437	0.3
290.08069	6.4
292.09659	0.3
302.08026	1.4
304.06033	5.3
308.09280	1.2
311.12564	0.3
318.07593	8.3
319.08377	39.7
320.09131	7.1
321.09427	1.2
322.10678	0.5
323.11444	0.4
324.11935	0.3
334.10712	100.0
335.11197	1.7
336.12146	3.5
337.12808	0.5
338.13153	0.4
339.12292	1.8
342.07840	0.3
343.08383	0.6
352.08252	0.4
352.15369	0.5
357.13654	0.3
358.10815	0.5
367.11746	0.5
370.07239	0.5
371.07846	0.4
386.10080	2.3
404.11307	0.5
482.12018	0.4
510.11206	0.3
528.12573	0.3
530.18085	0.4
540.16553	2.8
702.20850	0.4
720.22748	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
80.21665	0.1
86.78493	0.0
91.18624	0.1
102.05106	0.0
273.07758	0.1
276.06393	0.4
289.07330	0.3
290.08084	10.5
302.08109	3.3
303.08881	0.3
304.06015	9.7
305.06885	0.1
307.11240	0.1
316.06189	0.1
318.07587	13.3
319.08371	55.1
334.10706	100.0
342.07523	0.1
343.08493	0.1
358.10632	0.1
386.09909	0.5
595.07062	0.1
720.22791	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77726	0.1
58.28783	0.2
64.83831	0.2
78.86430	0.2
80.61449	0.2
92.21003	0.3
145.02861	0.2
177.05467	0.4
273.07755	0.4
276.06622	0.3
290.08102	10.5
302.08017	2.9
303.08972	0.2
304.06033	9.2
304.09491	0.3
310.94360	0.2
318.03854	0.4
318.07608	12.2
319.08389	56.1
334.10730	100.0
336.12366	0.5
720.22827	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55556	0.2
75.91705	0.3
92.58691	0.3
134.73203	0.2
156.43768	0.2
176.27954	0.2
179.52786	0.2
220.74664	0.3
227.40254	0.3
243.24313	0.3
276.06412	1.1
290.08121	10.7
302.08145	4.0
304.06012	8.4
318.07602	14.2
319.08401	56.2
334.10742	100.0
336.34189	0.3
400.20288	0.3
411.57562	0.3
706.32422	0.3
720.22888	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03973	0.2
63.89703	0.2
66.27834	0.2
69.14304	0.2
80.48672	0.2
128.67729	0.2
131.07126	0.2
180.40440	0.2
273.08066	0.2
276.06464	0.4
290.08115	8.9
290.11353	0.4
302.08127	3.0
304.06033	8.8
311.32919	0.2
318.07602	12.6
319.08405	55.0
320.08942	0.5
334.10739	100.0
336.12405	0.9
337.13083	0.5
352.15408	2.6
400.51501	0.3
491.86768	0.2
612.79907	0.2
720.22876	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02288	0.8
61.99992	0.9
81.82236	0.9
86.73615	1.1
87.21262	1.1
108.60205	1.0
125.77779	1.0
137.05995	1.8
175.35027	1.1
207.06273	1.1
233.58484	1.1
290.08020	8.8
291.38510	1.5
304.06113	5.4
318.07608	7.8
319.04724	1.7
319.08414	45.9
320.09311	7.6
321.09830	4.5
334.10730	100.0
336.12387	10.8
352.15543	6.2
463.15311	1.4
540.16669	1.3
621.76318	1.3
720.22833	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51688	0.3
71.39400	0.4
80.21783	0.3
122.16769	0.4
228.40176	0.4
290.08121	12.7
302.08224	3.7
304.06027	10.7
306.07666	0.6
307.08160	0.6
308.09137	2.3
309.09546	0.9
318.07611	15.3
319.08395	56.1
320.09064	4.5
334.10718	100.0
335.11078	1.5
336.12225	2.1
360.12198	0.6
453.09995	0.5
555.86084	0.4
679.17297	0.8
720.24316	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97802	0.4
57.94331	0.4
69.38678	0.5
76.14139	0.4
84.31644	0.4
92.21427	0.7
97.61163	0.5
100.89684	0.4
158.38751	0.4
185.66237	0.5
290.08081	8.4
302.08063	2.0
304.06027	8.0
308.09433	1.0
308.12750	12.7
318.07587	11.1
319.08368	43.3
320.12732	2.4
322.10828	6.7
325.07425	0.5
334.10699	74.6
336.12268	19.0
337.13037	30.8
352.15405	100.0
720.23096	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34597	0.2
55.48488	0.2
177.05641	0.3
233.59700	0.4
233.94432	0.3
291.12521	0.4
308.12802	12.6
319.08438	2.0
320.09186	2.3
320.12875	2.6
321.09503	1.4
322.10709	7.0
334.10654	3.7
336.12286	19.3
337.13068	30.6
339.12335	0.5
352.15427	100.0
474.00089	0.4
536.12817	0.3
720.27203	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34597	0.2
55.48488	0.2
177.05641	0.3
233.59700	0.4
233.94432	0.3
291.12521	0.4
308.12802	12.6
319.08438	2.0
320.09186	2.3
320.12875	2.6
321.09503	1.4
322.10709	7.0
334.10654	3.7
336.12286	19.3
337.13068	30.6
339.12335	0.5
352.15427	100.0
474.00089	0.4
536.12817	0.3
720.27203	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72704	0.2
58.65219	0.2
70.79255	0.2
70.79656	0.2
89.61332	0.2
91.53993	0.2
92.21503	0.3
159.99181	0.2
185.08102	0.2
250.93114	0.3
292.09784	0.3
293.10367	0.2
294.11414	0.3
307.11914	0.3
308.12781	12.5
315.18222	0.3
319.08340	0.5
320.12790	2.0
322.10736	5.7
334.10751	1.5
336.12271	18.3
337.13074	29.7
352.15424	100.0
515.70740	0.3
563.40808	0.3
719.82776	0.2
720.26379	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09258	0.3
56.74478	0.3
65.13306	0.3
70.68203	0.3
72.33914	0.3
72.69428	0.4
80.21362	0.3
86.45177	0.4
107.38536	0.4
116.58261	0.3
247.03664	0.4
308.12787	10.7
320.09552	0.5
320.12698	2.5
322.10736	5.3
327.11884	0.4
334.10727	0.9
336.12305	14.7
337.13077	26.9
352.15439	100.0
720.26721	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45199	0.4
62.57898	0.3
84.99167	0.4
92.20907	0.4
137.86011	0.3
140.06718	0.3
152.77576	0.3
281.10736	0.3
290.08090	0.4
294.11288	0.4
308.12766	13.0
318.07773	0.5
319.08325	4.0
320.09024	2.8
320.12891	3.3
321.09561	0.8
322.10718	7.0
334.10724	6.7
335.11029	0.8
336.12299	21.1
337.13065	31.9
350.10208	1.4
352.15424	100.0
403.84164	0.3
720.26593	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34441	0.1
79.41914	0.1
86.51556	0.1
88.48700	0.1
92.21538	0.1
109.12151	0.1
110.85213	0.1
127.00882	0.2
134.61180	0.1
198.12517	0.1
257.52032	0.1
291.12589	0.2
294.10925	0.2
308.12787	11.2
319.08493	0.3
320.09030	0.7
320.12802	2.0
321.09879	0.2
321.13422	0.2
322.10712	5.7
334.10504	1.0
336.12271	16.3
337.13052	31.5
352.15408	100.0
575.49927	0.2
720.26599	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
100.52382	0.2
114.08299	0.2
118.96783	0.2
119.96943	0.2
159.57976	0.2
294.10956	0.3
308.12817	11.3
319.08331	0.9
320.09100	0.3
320.12604	2.2
322.10712	6.6
334.10599	1.9
335.11166	0.2
336.12268	17.4
337.13052	30.5
350.10480	0.2
352.15417	100.0
418.49701	0.2
557.41650	0.2
720.26648	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06916	0.3
60.96898	0.3
79.89803	0.3
103.01367	0.4
106.49998	0.4
130.69395	0.3
150.64520	0.3
235.06123	0.4
285.30621	0.4
292.09622	8.8
304.09720	1.4
306.07565	3.0
308.12827	2.0
318.07581	0.5
319.08389	0.8
320.09189	12.8
320.12787	0.7
321.09937	28.9
322.10471	1.2
334.10730	3.3
336.12283	100.0
337.13104	4.1
338.13351	1.4
352.15414	17.2
377.76349	0.5
421.63068	0.4
720.26385	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21553	0.4
208.14326	0.3
308.12817	12.8
319.08405	0.6
320.09421	0.7
320.12732	2.6
322.10760	6.2
334.10724	1.4
336.12296	16.3
337.13086	28.8
352.15433	100.0
355.03006	0.3
423.07925	0.3
449.25134	0.3
461.18842	0.3
720.26685	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38227	0.2
70.13325	0.3
73.48113	0.3
119.71986	0.3
192.15175	0.3
292.09677	8.3
304.09747	1.3
306.07581	2.7
308.12808	2.0
318.07642	0.4
319.08377	1.6
320.09210	11.5
320.12698	0.6
321.09964	28.0
322.10818	1.4
334.10815	3.4
335.11459	0.4
336.12308	100.0
337.13074	6.4
338.13757	0.5
352.15466	17.9
425.27423	0.3
571.54370	0.3
720.26453	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85923	0.2
100.17407	0.2
100.88090	0.2
162.46446	0.2
291.08563	0.2
292.09656	9.4
304.09610	1.4
306.07587	2.9
319.08258	0.5
320.09167	11.6
321.09940	26.5
322.10532	0.4
334.10706	1.1
336.12280	100.0
337.12683	0.4
338.13721	0.3
464.42819	0.2
528.12695	0.3
542.14410	0.3
558.17505	1.6
720.21606	1.7
720.30371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35699	1.9
64.24109	2.4
69.03432	10.0
70.06586	3.7
71.91268	2.2
74.49632	1.9
81.03434	5.3
85.02910	16.6
91.05462	2.5
92.67625	2.5
97.02893	3.5
99.04482	3.9
103.05480	2.1
105.07015	4.7
107.04969	17.6
109.02850	3.2
109.24985	2.1
119.04930	11.1
121.06508	4.2
127.03923	10.6
131.04947	14.4
133.02859	12.2
133.06512	19.7
135.08098	8.1
137.05975	92.8
143.14211	2.2
145.05008	3.0
147.04446	17.4
149.05981	26.6
150.06836	2.8
151.03938	3.0
151.07550	44.2
157.06499	4.1
161.05974	76.9
161.09550	17.2
162.06737	4.9
163.07535	100.0
165.09109	9.7
167.06996	9.4
175.07549	14.6
177.05434	5.2
177.09074	9.5
179.07071	19.1
181.08640	14.2
189.09103	87.8
191.07013	12.7
195.08038	2.6
201.09125	2.2
203.06963	7.9
207.06485	2.7
207.08296	3.6
207.10161	80.1
215.06992	3.3
217.08553	2.9
219.10063	3.6
225.11105	2.3
227.10689	4.7
229.08577	3.4
253.12340	2.9
255.10187	14.0
271.40652	2.3
273.11209	3.9
281.11725	3.1
285.11197	13.3
287.12823	13.6
291.12335	20.8
293.10144	3.4
297.11176	4.9
309.13367	10.8
310.50717	2.5
311.11496	3.8
313.14368	10.7
323.11282	3.7
323.65549	2.3
331.15375	93.6
341.12482	2.6
343.15414	20.7
361.16446	5.1
457.18723	4.4
533.44836	2.5
622.51086	2.3
702.24451	2.2
720.25372	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29586	4.8
55.05523	7.1
56.46294	5.0
59.37550	5.1
61.02928	14.6
67.05515	43.4
69.03435	5.6
70.87008	5.4
73.02921	8.1
79.05492	14.8
80.26843	5.6
81.07063	57.9
85.02913	13.2
91.03954	29.4
91.05464	13.5
93.07039	48.0
95.08637	47.1
95.09122	5.6
97.02900	25.9
97.10184	7.3
99.04429	8.8
101.76945	5.9
105.07048	11.1
107.08578	46.9
109.10151	42.2
119.08585	13.8
121.10139	39.2
123.11668	8.9
127.03869	10.5
131.08560	25.5
133.10132	26.5
135.11684	38.5
145.04907	10.0
145.10147	15.6
147.11685	13.6
149.13266	25.6
159.11642	8.0
161.13268	11.6
163.06149	10.2
163.14821	6.7
173.13272	9.6
243.21107	10.5
261.22162	64.9
320.09134	10.5
321.09702	9.2
323.62839	6.5
335.26013	8.7
336.12335	39.7
340.11359	7.3
353.26758	100.0
396.31473	24.8
496.07272	7.9
552.81915	6.6
720.41968	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52678	0.9
125.25487	1.1
131.14221	1.1
139.33011	1.1
149.70288	1.1
154.12291	1.6
164.58862	1.4
171.15015	1.5
260.66989	1.2
320.08954	1.7
321.09637	1.3
334.10614	2.0
336.12268	4.4
337.12817	1.4
342.03729	89.9
357.06067	37.5
372.08426	100.0
703.07965	1.4
721.37402	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
57.49624	0.1
60.01548	0.1
61.02908	0.1
63.34600	0.1
69.03433	5.4
71.04983	0.6
71.75121	0.1
83.04990	2.5
85.02911	0.7
111.04446	2.2
123.07837	0.2
129.05475	2.2
137.05920	0.2
139.59833	0.1
153.01863	0.3
189.07573	1.1
204.92010	0.2
242.05653	0.3
266.83490	0.2
270.05203	2.0
285.07562	100.0
319.08200	0.2
321.09723	0.2
334.10678	0.2
336.12357	1.1
337.12598	0.2
395.10919	0.2
533.12872	12.8
534.41736	0.2
585.26935	0.2
626.67963	0.2
654.41486	0.2
721.19550	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39118	0.2
54.50997	0.2
56.34848	0.2
61.33384	0.2
63.04878	0.2
68.99366	0.2
69.03436	6.1
71.04982	0.4
74.57751	0.3
83.04971	1.8
85.02895	0.4
87.79492	0.3
92.91050	0.3
105.07222	0.3
111.04446	1.9
111.50151	0.3
121.10124	0.3
129.05461	1.6
189.07593	1.6
242.05539	0.4
259.11380	0.3
270.05103	1.1
285.07562	100.0
292.09683	1.5
293.10135	0.6
307.08151	0.4
320.09106	1.7
321.09879	6.1
322.10321	3.9
334.10748	0.5
336.12274	14.7
337.08755	0.5
337.12637	13.0
338.13708	0.3
405.04675	0.3
533.12897	13.4
533.20972	0.5
721.19952	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	1.2
70.70796	0.7
85.33233	0.8
92.67337	0.8
99.04436	1.2
181.08595	1.2
213.05530	1.4
319.08334	4.2
320.09143	4.1
324.12033	0.9
334.11020	6.7
335.11255	1.6
336.08685	1.7
336.12399	4.9
337.13101	1.6
349.10675	4.1
350.11237	3.6
353.10764	0.9
366.10870	1.3
381.13254	11.6
433.11206	1.2
468.16293	1.1
471.15576	5.1
481.13589	1.0
485.17090	26.4
495.15631	3.1
497.17355	11.4
499.15036	24.3
500.15314	1.1
513.16553	50.2
514.17267	19.6
527.14648	1.0
529.19690	100.0
689.23914	1.0
721.20923	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	1.2
70.70796	0.7
85.33233	0.8
92.67337	0.8
99.04436	1.2
181.08595	1.2
213.05530	1.4
319.08334	4.2
320.09143	4.1
324.12033	0.9
334.11020	6.7
335.11255	1.6
336.08685	1.7
336.12399	4.9
337.13101	1.6
349.10675	4.1
350.11237	3.6
353.10764	0.9
366.10870	1.3
381.13254	11.6
433.11206	1.2
468.16293	1.1
471.15576	5.1
481.13589	1.0
485.17090	26.4
495.15631	3.1
497.17355	11.4
499.15036	24.3
500.15314	1.1
513.16553	50.2
514.17267	19.6
527.14648	1.0
529.19690	100.0
689.23914	1.0
721.20923	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09467	0.8
57.99218	0.8
66.45036	0.9
67.41138	0.8
84.40541	1.1
93.12335	0.9
104.39495	1.1
165.05533	6.5
184.78285	0.9
193.05006	1.3
197.94034	1.0
229.68680	1.1
285.07529	13.5
320.09134	7.7
321.09637	1.3
334.10699	4.2
336.12314	1.5
422.10287	1.7
424.11462	1.5
436.11902	1.1
438.09717	10.8
448.07690	1.4
450.09537	1.6
452.11349	16.1
453.11984	16.7
466.09079	16.2
468.10803	13.4
470.08835	6.3
480.10712	12.2
481.11459	10.0
496.13937	47.8
496.20810	2.2
514.14948	1.5
524.13684	11.2
542.14307	8.3
584.66052	1.4
677.18329	1.7
691.15845	1.8
703.18774	3.7
705.17352	2.1
721.20166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	1.2
70.70796	0.7
85.33233	0.8
92.67337	0.8
99.04436	1.2
181.08595	1.2
213.05530	1.4
319.08334	4.2
320.09143	4.1
324.12033	0.9
334.11020	6.7
335.11255	1.6
336.08685	1.7
336.12399	4.9
337.13101	1.6
349.10675	4.1
350.11237	3.6
353.10764	0.9
366.10870	1.3
381.13254	11.6
433.11206	1.2
468.16293	1.1
471.15576	5.1
481.13589	1.0
485.17090	26.4
495.15631	3.1
497.17355	11.4
499.15036	24.3
500.15314	1.1
513.16553	50.2
514.17267	19.6
527.14648	1.0
529.19690	100.0
689.23914	1.0
721.20923	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19228	0.4
57.21357	0.4
58.06568	0.6
69.03428	5.7
71.04922	0.6
74.90029	0.4
76.04436	0.4
77.80317	0.4
83.04952	0.9
85.02856	0.8
111.04409	1.1
129.05482	1.2
151.07452	0.5
185.20963	0.5
189.07568	1.1
270.05350	0.8
285.07565	100.0
291.12640	0.7
292.09738	0.6
294.11261	0.6
305.13882	1.0
306.11328	3.6
307.08380	1.1
308.08984	0.7
318.11108	0.6
320.09045	0.8
320.12833	1.8
321.09964	1.9
322.10602	2.1
323.11502	3.0
334.10663	2.5
335.11288	0.7
336.12277	8.1
337.12723	3.2
442.12985	0.7
455.16104	1.1
458.16055	1.2
469.17749	0.8
483.15561	2.4
494.60190	0.7
497.17166	5.3
498.17194	0.9
513.20477	4.0
533.12854	11.7
619.20618	0.7
633.21606	0.8
645.18250	2.1
647.19879	1.0
661.21490	3.5
663.19928	4.8
673.18140	1.1
675.19849	1.1
677.21375	8.1
689.21613	4.9
691.19275	10.2
705.21021	11.6
706.21497	1.0
721.23846	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99346	0.4
55.32441	0.6
58.98813	0.5
62.05733	0.6
100.73052	0.6
131.04964	3.3
132.99706	0.5
137.06015	5.6
137.58076	0.6
138.06396	0.8
151.03874	7.0
152.04332	0.8
154.22186	0.6
163.07579	1.3
164.07990	1.0
172.22797	0.5
181.05055	1.1
185.20969	0.8
191.07014	6.6
192.07388	2.5
197.02779	0.6
264.09888	0.9
278.08304	1.1
279.08804	0.9
284.81689	0.7
285.07693	2.5
290.08371	0.8
290.11813	0.8
292.09698	1.1
294.11389	0.8
304.09604	0.7
305.14264	0.9
306.07742	4.9
306.11359	5.2
307.08484	2.7
307.11975	1.0
319.08353	1.1
320.09262	5.3
320.13037	4.0
321.06409	0.9
321.09903	6.0
322.07239	0.9
322.10724	3.1
322.14288	0.7
323.11673	3.3
334.10825	3.3
335.07874	5.4
336.08606	1.3
336.12241	11.4
337.12753	6.8
338.10452	0.7
338.14063	1.0
349.09473	0.7
350.10172	8.6
350.13452	0.6
366.09857	1.0
387.14603	2.5
388.14993	3.5
458.16397	2.3
469.17801	2.7
483.15540	3.4
486.15692	1.4
497.17169	5.1
498.18042	1.0
513.20502	5.6
532.40741	0.6
631.18665	0.7
645.17987	0.9
647.20514	3.7
661.21313	3.5
663.19751	5.7
673.17859	1.1
675.19141	1.1
677.21210	8.8
689.21606	5.1
691.19263	14.7
703.19263	6.7
705.20532	12.7
706.21735	1.0
721.23853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62408	0.6
54.87226	0.6
56.25802	0.8
147.63799	0.8
165.05577	3.6
290.08096	1.1
292.09930	1.4
305.10901	1.0
306.07739	1.1
307.12292	1.6
308.09415	1.0
319.08453	1.5
320.09247	10.8
321.09683	5.7
322.07111	1.2
322.10849	4.5
334.10873	5.6
335.11456	1.8
336.08792	3.0
336.12503	10.8
337.09332	1.7
337.12973	4.2
338.13806	1.1
339.11078	1.0
350.14050	3.2
352.12170	1.0
364.08548	0.9
426.09274	0.9
440.11057	0.9
441.12302	3.0
454.09305	3.2
456.10989	3.9
468.11057	1.2
469.11850	3.0
469.17902	1.4
473.93649	0.9
484.13824	11.8
497.17514	5.4
499.15479	1.4
512.13525	4.1
513.16522	1.2
513.20374	0.9
529.19946	3.8
557.36066	0.9
619.16992	0.9
627.15332	0.9
631.18311	1.0
642.16730	1.5
645.18878	3.5
647.19568	1.2
657.18683	6.6
661.21765	1.3
663.20203	1.9
672.21466	2.0
673.18439	3.6
675.19861	1.1
677.21289	4.7
689.21722	3.9
691.19977	7.2
705.20734	6.9
721.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.7
81.07056	0.8
139.80977	0.6
193.04951	8.9
197.43672	0.7
285.08124	0.8
292.09750	1.3
293.14685	0.6
306.11258	7.1
306.14282	0.7
307.08438	0.8
307.12006	1.0
320.09265	3.0
320.12973	2.4
321.09900	2.6
322.10815	1.3
322.14490	6.0
334.10907	2.4
334.14581	0.7
335.11398	0.9
336.12222	9.6
337.12827	3.8
480.14059	0.7
482.12387	1.1
483.16254	0.9
484.15662	0.7
485.16718	0.9
496.13937	2.9
497.13776	3.8
511.14508	7.0
512.15570	1.4
513.16321	12.0
519.73462	0.8
527.17993	8.7
529.19696	3.4
635.20331	1.0
647.19849	1.1
649.21857	2.7
661.22009	7.4
663.19745	6.8
673.18121	1.2
675.19104	0.9
677.21301	7.5
689.21143	2.7
691.19220	10.3
693.24518	4.0
705.20782	7.2
721.23853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26315	1.0
71.04972	1.1
77.43573	1.2
78.17546	1.2
82.41291	1.2
85.02945	1.2
89.65894	1.2
106.18465	1.3
130.46341	1.2
164.69827	1.3
257.09689	1.4
285.07596	8.7
320.09180	5.2
321.09775	4.5
323.11240	1.5
334.10825	2.7
336.12451	2.9
337.09335	1.7
338.13834	1.5
629.17163	2.6
645.18457	7.0
659.20300	11.0
671.19788	6.1
673.18329	20.6
687.19421	13.6
688.20441	1.6
703.22809	2.5
721.23828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99346	0.4
55.32441	0.6
58.98813	0.5
62.05733	0.6
100.73052	0.6
131.04964	3.3
132.99706	0.5
137.06015	5.6
137.58076	0.6
138.06396	0.8
151.03874	7.0
152.04332	0.8
154.22186	0.6
163.07579	1.3
164.07990	1.0
172.22797	0.5
181.05055	1.1
185.20969	0.8
191.07014	6.6
192.07388	2.5
197.02779	0.6
264.09888	0.9
278.08304	1.1
279.08804	0.9
284.81689	0.7
285.07693	2.5
290.08371	0.8
290.11813	0.8
292.09698	1.1
294.11389	0.8
304.09604	0.7
305.14264	0.9
306.07742	4.9
306.11359	5.2
307.08484	2.7
307.11975	1.0
319.08353	1.1
320.09262	5.3
320.13037	4.0
321.06409	0.9
321.09903	6.0
322.07239	0.9
322.10724	3.1
322.14288	0.7
323.11673	3.3
334.10825	3.3
335.07874	5.4
336.08606	1.3
336.12241	11.4
337.12753	6.8
338.10452	0.7
338.14063	1.0
349.09473	0.7
350.10172	8.6
350.13452	0.6
366.09857	1.0
387.14603	2.5
388.14993	3.5
458.16397	2.3
469.17801	2.7
483.15540	3.4
486.15692	1.4
497.17169	5.1
498.18042	1.0
513.20502	5.6
532.40741	0.6
631.18665	0.7
645.17987	0.9
647.20514	3.7
661.21313	3.5
663.19751	5.7
673.17859	1.1
675.19141	1.1
677.21210	8.8
689.21606	5.1
691.19263	14.7
703.19263	6.7
705.20532	12.7
706.21735	1.0
721.23853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03621	0.8
72.56082	1.0
91.73760	1.0
97.46148	0.9
107.89939	0.9
109.26834	1.1
122.36152	1.0
130.95435	1.1
177.01816	1.0
285.07700	1.2
299.92093	1.0
319.08572	1.5
320.09122	7.5
321.09814	2.2
322.10837	3.8
323.11307	1.3
334.10910	3.8
336.12387	7.3
338.14105	3.8
356.14685	1.0
465.13571	1.2
474.16275	1.1
497.17572	1.0
525.97992	1.0
627.18219	1.4
645.18799	10.5
658.16669	2.1
659.20447	6.4
663.20630	1.2
671.20660	8.2
673.18243	19.5
677.21558	1.7
687.19812	13.4
689.21228	1.3
691.18970	1.7
703.23218	5.9
721.23840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63877	0.5
58.27629	0.5
64.08024	0.6
87.15173	0.6
99.04430	0.7
105.38626	0.6
125.09415	0.6
176.05910	0.6
176.77249	0.6
178.14476	0.6
181.08609	0.9
290.08115	2.3
300.23575	0.7
304.06018	1.3
318.07431	1.4
319.08313	7.2
320.09012	8.4
321.09607	2.8
334.10739	17.5
334.14661	0.9
335.11093	4.5
336.12317	2.9
349.93484	0.8
370.14114	0.8
401.16199	1.3
458.16205	1.1
469.17377	0.9
469.93979	0.7
485.74118	0.7
496.14151	1.2
513.19910	0.8
514.20020	0.6
627.17346	2.4
629.16956	1.3
631.20660	1.0
641.18347	0.8
643.13257	0.9
645.18561	9.6
655.17126	2.4
657.17334	0.6
658.16016	2.3
659.20404	6.9
660.20929	1.2
661.21570	2.7
663.18915	0.8
671.20068	7.5
673.18176	19.7
677.22046	2.2
687.19849	12.5
688.20276	2.9
689.21454	1.4
691.19220	2.5
703.22723	5.2
705.20343	3.5
721.23792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17567	0.3
67.46278	0.3
70.96527	0.2
72.00037	0.3
79.65308	0.4
119.05042	0.3
129.07047	1.2
130.89885	0.3
131.04913	0.5
131.08562	4.0
137.05954	0.8
141.06956	1.4
153.37816	0.4
157.06470	3.1
158.07249	0.4
159.08057	6.0
163.07582	0.5
169.06456	2.0
170.07228	0.6
174.06734	5.5
175.07550	2.9
186.06743	1.7
189.09096	30.4
191.10648	2.3
201.09087	11.5
207.10060	0.4
219.10149	100.0
237.11241	0.8
298.40875	0.3
308.12903	2.4
309.13129	1.6
318.07431	0.4
319.08417	0.6
320.08862	0.5
322.10663	0.6
323.11163	0.7
334.10580	1.6
335.11111	1.7
336.12256	2.4
337.12946	7.2
338.13364	4.1
352.15417	12.0
353.15720	15.6
690.70807	0.3
721.26190	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3948
Annotation	Cononitarine B
Peak:m/z	Relative Intensity
51.74421	3.3
56.88551	3.9
59.92118	3.8
67.50647	4.5
185.21220	4.9
296.05847	4.8
319.65570	5.0
461.23526	7.6
473.23126	8.2
533.25568	49.2
535.27148	7.2
593.27020	23.2
643.36188	21.2
661.36786	7.0
721.39465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57174	1.1
63.88272	1.5
67.19993	1.2
73.51690	1.2
81.03415	1.6
84.71429	1.3
85.02907	8.9
88.03572	1.6
99.04451	7.8
105.67981	1.6
367.13672	2.2
450.30844	1.6
665.12073	2.0
721.41168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37930	0.9
59.06138	1.5
81.07047	1.5
83.08615	0.9
85.07652	1.4
88.14812	0.9
111.26588	0.9
166.18973	1.6
279.76791	1.0
309.20325	8.7
319.22504	6.1
353.26929	1.4
435.27121	17.3
652.26758	1.3
721.48560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51595	0.7
55.85789	0.7
56.30407	0.7
57.06400	0.7
57.33192	0.6
68.40002	0.7
71.74166	0.9
77.12242	0.7
79.52466	0.7
99.49278	0.8
108.31706	0.8
147.04343	1.0
153.05545	0.8
247.60616	1.1
278.08139	1.3
279.09045	1.7
292.09732	8.3
293.06790	2.0
294.07556	1.8
295.08472	5.0
306.03952	5.7
306.07675	3.7
307.08188	0.9
309.10272	1.3
310.10886	1.8
320.09125	16.4
321.06271	18.7
321.09933	26.6
322.10583	3.9
323.11371	1.3
324.04999	1.3
327.12122	1.2
334.10782	6.3
335.10861	1.4
336.08588	24.8
336.12314	100.0
337.12784	4.4
338.13901	10.4
354.09726	41.3
359.14886	6.3
722.19641	4.0
722.28326	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64635	0.5
51.65184	0.5
58.06579	0.5
69.31138	0.5
101.28941	0.6
108.06846	0.5
192.18536	0.6
217.56726	0.6
290.08133	10.6
292.09659	0.6
293.48593	0.5
297.24600	0.7
302.08057	4.5
304.06006	8.6
308.09387	0.7
315.50174	0.6
318.07590	14.2
319.08362	57.5
320.09097	22.9
321.09451	0.9
323.11533	0.7
334.10715	100.0
335.11188	5.1
336.12070	4.8
353.15921	0.8
643.95148	0.6
722.23517	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01321	0.3
56.02855	0.3
58.06567	0.5
66.03056	0.3
82.40942	0.3
92.21507	0.4
167.71631	0.3
175.03857	0.7
177.89536	0.4
183.06564	0.5
207.06456	0.8
276.06613	0.6
277.07297	0.4
290.07962	0.6
292.09729	0.7
302.08118	0.5
304.06293	0.5
305.06784	4.6
306.07483	0.7
318.07599	0.6
319.08429	3.9
320.09161	100.0
321.09851	3.8
322.10297	0.5
334.10706	14.4
334.87241	0.4
335.11493	61.7
336.12271	18.8
348.11917	0.5
390.38864	0.4
447.50253	0.4
484.14197	0.5
498.15073	1.3
499.15503	0.4
510.15970	0.5
512.13300	0.6
526.14954	1.7
527.15540	0.8
530.14783	0.4
542.18292	0.8
544.15729	2.0
546.17108	0.4
560.19086	9.3
602.19928	3.8
632.20306	0.5
662.21863	0.4
722.24286	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59284	0.4
63.04492	0.3
89.28358	0.4
91.43697	0.4
113.88089	0.4
124.43501	0.5
160.43353	0.5
290.08151	9.4
297.73483	0.6
302.08157	3.0
304.06113	8.5
318.07581	13.3
319.08392	56.3
320.08850	0.7
334.10730	100.0
336.11990	0.9
337.12732	0.5
338.13385	0.8
339.94635	0.4
352.15411	1.1
353.15848	2.4
354.16019	2.7
421.90286	0.5
722.25922	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49896	0.2
59.71275	0.3
61.70511	0.2
68.73693	0.3
69.71575	0.2
92.20940	0.6
95.94847	0.3
179.95293	0.3
240.63774	0.3
276.06326	0.4
290.08063	10.8
302.08182	2.4
304.06058	10.1
315.19876	0.3
318.07602	14.2
319.08383	57.8
320.05371	0.6
320.09137	16.0
334.10718	100.0
335.11377	1.3
336.12387	0.6
352.15143	0.4
692.84204	0.4
722.25903	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67358	0.3
61.75536	0.3
67.58821	0.3
70.10666	0.3
88.58438	0.3
92.90308	0.3
134.87267	0.3
156.33183	0.3
176.68106	0.3
203.75357	0.4
221.37842	0.3
229.72244	0.4
276.06360	0.6
290.08063	9.7
302.07990	3.3
304.06033	9.9
309.87173	0.3
318.07611	14.3
319.08389	55.2
320.09097	4.0
322.10767	1.8
334.10727	100.0
335.11118	2.4
336.12198	1.9
350.10327	0.5
368.15668	0.5
381.55737	0.3
408.74185	0.3
435.74762	0.3
594.02380	0.4
670.73071	0.4
722.25946	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83457	0.5
75.97514	0.4
91.17058	0.5
95.48783	0.6
101.46653	0.5
108.01806	0.5
113.25083	0.5
124.59541	0.4
131.63194	0.5
205.08542	1.9
290.08060	10.8
302.08112	2.7
304.06055	8.4
305.06427	0.6
318.07587	10.8
319.08398	58.6
320.09122	3.6
321.09534	1.0
322.10620	1.0
334.10727	100.0
335.11041	4.4
336.12094	2.6
385.16626	0.7
483.20474	0.7
510.66968	0.6
585.03754	0.5
722.25928	35.2
745.36420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06545	0.3
63.70866	0.3
86.51413	0.3
119.72836	0.3
135.17467	0.3
276.06573	0.5
290.08087	9.7
302.07925	2.7
304.06067	9.1
309.11478	0.5
313.77710	0.4
318.07611	12.3
319.08386	55.8
320.05847	0.4
320.09079	3.3
321.09631	0.6
322.10815	1.4
323.10968	0.5
334.10727	100.0
335.07828	1.5
335.11203	1.7
336.12292	0.7
348.08478	0.5
350.10220	2.7
353.13913	0.4
498.13971	0.7
513.16437	0.5
514.17200	2.1
524.15515	0.8
525.16492	1.9
628.18738	0.4
674.19165	0.7
722.25885	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79410	0.3
61.81385	0.3
71.49239	0.4
74.40542	0.3
80.55162	0.3
92.37124	0.3
100.43047	0.4
127.34667	0.3
167.07123	0.4
204.31538	0.4
207.64345	0.4
264.87033	0.4
289.08319	0.4
290.08090	9.0
292.09784	0.4
296.17410	0.4
302.08218	3.1
304.05994	10.8
304.09515	0.4
305.06461	0.6
308.08972	0.4
318.07617	13.8
319.08368	56.4
320.09079	8.5
321.09659	0.9
322.10709	1.7
331.97287	0.4
334.10715	100.0
335.11087	5.3
336.12006	2.5
337.12653	0.5
353.13974	0.5
717.42523	0.5
722.25867	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63723	0.3
83.03740	0.3
175.03929	0.4
181.08444	0.4
184.38983	0.4
198.49136	0.4
249.68634	0.4
273.59906	0.4
286.78030	0.4
290.08121	10.1
294.11200	0.4
302.08023	3.1
304.06018	9.5
318.07623	13.0
318.11136	0.8
319.08392	54.9
320.09146	13.2
321.09644	0.7
322.10681	0.6
323.11346	0.5
334.10733	100.0
335.11060	2.1
336.12186	2.2
352.52725	0.4
455.94302	0.4
467.09390	0.5
497.14355	0.5
498.15936	0.5
552.06842	0.4
579.40601	0.5
722.26202	33.0
753.50482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50003	0.3
58.14192	0.3
84.33059	0.3
97.84251	0.3
107.07410	0.3
114.78297	0.3
117.40080	0.3
131.13005	0.3
133.65990	0.3
181.08598	1.2
204.37331	0.3
205.08591	0.4
211.84921	0.3
216.21732	0.3
277.07397	0.3
290.08249	0.4
292.09604	3.2
318.07645	1.1
319.08246	2.3
320.09167	100.0
321.09906	0.3
322.10739	0.5
334.10788	3.7
335.11115	1.1
336.12338	2.5
367.15247	1.3
462.92819	0.3
653.43536	0.3
688.26971	0.3
722.25165	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97329	0.1
52.31644	0.2
59.50776	0.1
63.90740	0.2
107.15922	0.2
121.06512	0.3
125.18574	0.2
134.32787	0.2
137.75069	0.2
151.86444	0.2
162.81471	0.2
230.25510	0.2
246.25566	0.2
285.07715	0.2
289.18048	0.2
290.07935	0.3
291.08896	0.4
292.09647	7.5
304.09747	1.4
306.07596	2.2
319.08374	1.6
320.09140	10.0
321.09949	25.4
334.10693	4.1
335.11148	1.4
336.12277	100.0
363.21738	0.2
722.28088	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97329	0.1
52.31644	0.2
59.50776	0.1
63.90740	0.2
107.15922	0.2
121.06512	0.3
125.18574	0.2
134.32787	0.2
137.75069	0.2
151.86444	0.2
162.81471	0.2
230.25510	0.2
246.25566	0.2
285.07715	0.2
289.18048	0.2
290.07935	0.3
291.08896	0.4
292.09647	7.5
304.09747	1.4
306.07596	2.2
319.08374	1.6
320.09140	10.0
321.09949	25.4
334.10693	4.1
335.11148	1.4
336.12277	100.0
363.21738	0.2
722.28088	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43086	0.3
57.83780	0.3
58.06604	1.4
65.42913	0.3
71.13110	0.3
75.56389	0.3
81.55708	0.3
92.09410	0.4
102.04108	0.4
115.49807	0.3
152.79657	0.3
156.11075	0.4
193.69350	0.4
245.38786	0.3
268.88055	0.3
291.08609	0.4
292.09674	8.0
304.09662	1.5
306.07599	2.7
306.11011	0.5
307.08231	0.5
308.09021	0.5
319.08340	0.5
320.09119	10.4
321.06210	0.9
321.09967	25.9
322.10538	1.7
323.11307	2.4
334.10751	2.6
335.11026	1.2
336.12286	100.0
337.12869	2.7
338.13855	5.9
350.10562	1.2
354.09644	1.3
442.61728	0.4
686.18359	0.4
704.19446	0.4
722.20831	1.5
722.30511	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10563	2.6
72.30501	2.4
120.80786	2.9
126.26450	2.7
133.06436	3.3
154.11034	3.0
161.05991	4.8
166.06215	11.2
181.08591	52.2
190.06221	13.9
199.07524	25.7
204.66208	2.8
205.08598	43.8
271.31415	2.9
289.08469	4.6
290.08377	3.3
303.10327	4.3
304.10846	10.5
305.11667	26.8
307.13220	3.6
318.07635	3.5
319.08417	22.7
320.09103	62.4
321.11328	39.6
322.10031	3.2
334.10709	38.1
335.11618	18.6
336.13489	68.5
337.10797	6.0
367.15363	100.0
427.17841	18.8
449.72855	3.0
513.14343	3.9
722.24200	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
115.22372	2.4
116.48825	2.5
124.43866	2.1
125.41492	2.7
166.06224	3.6
181.08577	36.6
184.07269	4.5
190.06340	5.2
199.07579	9.6
205.08562	20.4
213.03555	3.0
213.05487	17.3
236.32538	2.7
296.69641	2.6
304.10797	3.3
305.11646	4.5
306.08170	2.7
307.08408	4.3
319.08661	6.3
320.09055	23.4
321.11017	12.7
322.11270	3.6
334.10742	15.0
335.08810	5.3
336.08719	2.9
336.13083	25.3
349.10742	41.9
350.11456	42.6
351.08533	4.8
364.87839	2.6
366.10873	18.9
367.15485	38.0
368.12579	2.9
372.98718	3.1
381.13315	100.0
399.14285	3.3
427.17542	3.6
434.88785	3.2
511.14822	3.6
512.15454	4.2
513.16516	3.8
514.16736	4.4
528.18359	3.5
577.15826	3.0
603.20459	4.3
662.21783	3.1
678.22876	3.9
692.19147	5.5
706.21082	5.0
722.24341	82.7
722.36975	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95518	1.4
73.14114	1.5
99.04452	15.7
112.78396	1.6
153.81239	1.5
175.07562	3.3
181.08600	21.9
190.06221	18.0
199.07527	8.0
205.08591	100.0
206.09341	1.9
217.08582	1.9
234.70262	1.7
287.84238	1.7
290.08121	6.7
293.11713	1.8
296.01599	1.8
304.06052	6.0
304.10867	3.3
308.09067	1.7
311.12808	1.8
318.07751	10.9
319.08368	38.4
320.09097	18.9
321.09732	2.1
322.11087	1.6
323.12427	3.9
334.10721	90.3
335.11316	7.4
336.13663	18.0
339.12372	3.0
354.14578	81.7
355.15448	2.1
355.19876	1.8
367.15439	8.3
370.14279	3.1
385.16409	31.8
412.65662	1.7
483.20117	96.4
699.50330	2.1
722.23352	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81104	0.7
65.87922	0.8
67.05534	1.4
79.05496	1.8
81.03436	1.0
81.07066	3.4
83.08611	1.1
89.79918	0.9
91.05476	1.3
91.69379	0.8
93.07069	1.4
95.08619	2.1
99.04467	1.1
105.07053	1.3
107.04960	58.2
109.10182	1.2
115.05449	1.6
117.07015	1.3
119.08606	1.8
121.02953	0.9
121.06497	6.3
131.08658	1.0
137.05942	10.4
143.04913	18.9
145.06506	8.6
163.07664	1.3
167.07030	1.5
175.07520	8.7
179.09264	1.0
180.10268	4.2
184.07466	3.4
192.10144	12.2
206.12016	1.0
209.09683	4.5
210.97115	1.0
218.98140	0.8
237.09116	10.8
269.11728	38.2
271.13287	1.2
300.15948	76.3
514.37744	1.0
714.59692	1.0
722.42621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.1
61.02924	14.6
67.05511	36.8
69.07067	13.6
73.02932	4.3
73.62236	3.1
79.05487	24.8
81.07056	47.4
83.08613	8.2
83.17230	3.3
85.02903	27.8
91.03951	30.5
91.05489	15.8
92.50266	3.2
93.07051	35.0
95.08609	56.2
97.02888	14.6
97.10152	5.3
99.66172	3.7
104.29008	3.5
105.07043	14.0
107.08594	33.4
109.10162	27.4
117.07025	5.0
119.08578	5.8
119.12801	3.8
121.10117	49.7
121.71535	3.3
123.11720	7.8
127.03909	5.7
128.08293	3.3
131.08566	17.9
133.10101	15.3
135.11679	21.0
145.04929	14.2
145.10129	20.9
149.13263	8.4
159.11681	7.0
163.05998	18.4
163.14804	17.1
173.13222	13.0
175.14755	3.9
177.16397	8.7
187.14877	7.1
191.18085	8.5
204.58737	3.4
271.24170	27.5
287.30096	4.4
289.25293	81.2
334.10748	4.3
363.28918	13.2
381.29929	100.0
381.34436	7.1
506.00647	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.1
61.02924	14.6
67.05511	36.8
69.07067	13.6
73.02932	4.3
73.62236	3.1
79.05487	24.8
81.07056	47.4
83.08613	8.2
83.17230	3.3
85.02903	27.8
91.03951	30.5
91.05489	15.8
92.50266	3.2
93.07051	35.0
95.08609	56.2
97.02888	14.6
97.10152	5.3
99.66172	3.7
104.29008	3.5
105.07043	14.0
107.08594	33.4
109.10162	27.4
117.07025	5.0
119.08578	5.8
119.12801	3.8
121.10117	49.7
121.71535	3.3
123.11720	7.8
127.03909	5.7
128.08293	3.3
131.08566	17.9
133.10101	15.3
135.11679	21.0
145.04929	14.2
145.10129	20.9
149.13263	8.4
159.11681	7.0
163.05998	18.4
163.14804	17.1
173.13222	13.0
175.14755	3.9
177.16397	8.7
187.14877	7.1
191.18085	8.5
204.58737	3.4
271.24170	27.5
287.30096	4.4
289.25293	81.2
334.10748	4.3
363.28918	13.2
381.29929	100.0
381.34436	7.1
506.00647	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	2.1
57.07086	20.8
65.16098	2.0
65.41711	2.0
69.07068	2.8
71.08633	34.5
73.34086	2.1
75.26846	2.4
82.56522	2.2
83.46728	2.3
85.10177	23.3
87.04484	18.7
88.60516	2.5
89.06027	82.0
90.47714	2.2
91.05447	3.2
93.07036	5.7
95.08615	2.5
99.04457	3.4
107.04950	3.3
119.08538	3.6
121.06522	24.4
130.45511	2.2
133.08583	27.1
135.08034	5.3
135.11574	2.9
145.10078	2.5
147.08022	9.4
149.09615	9.7
163.03911	2.7
163.11214	5.2
177.11220	10.2
247.20532	13.0
291.23221	10.2
301.02551	2.9
335.25763	4.7
337.18097	2.4
386.55774	2.7
640.15216	2.7
705.47766	47.9
722.50537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88140	2.5
92.92851	3.4
107.98122	3.1
122.20715	3.1
161.58313	3.2
179.66438	3.6
194.35976	4.0
276.09381	3.4
320.09238	17.3
321.09491	6.8
323.11359	4.6
327.99023	3.2
336.12189	15.8
337.12622	14.3
693.14697	38.3
723.19635	100.0
723.38849	14.1
734.56042	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49992	0.4
59.36338	0.4
63.69781	0.4
63.80756	0.5
66.62630	0.3
73.27769	0.4
77.36005	0.4
164.46837	0.5
165.05466	0.9
188.83844	0.4
190.05032	7.4
238.98271	0.5
263.05780	1.7
264.06509	0.8
265.07559	0.6
276.06821	0.6
290.08099	2.7
292.06189	3.3
292.09369	0.7
293.06842	2.0
303.05246	2.8
304.05771	1.5
306.07776	0.7
308.09079	1.9
308.12424	0.5
318.07642	7.2
319.08392	6.7
320.05530	7.2
320.09180	20.4
321.06265	2.4
321.09653	1.9
322.10721	3.6
331.04877	2.3
334.06866	0.8
334.10684	13.1
335.11053	0.8
336.08621	0.8
336.12320	10.9
346.07013	5.5
348.05078	2.1
349.05792	10.4
364.08139	100.0
371.11218	0.6
434.15735	0.8
508.12704	0.7
526.13361	7.5
529.78577	0.6
562.13232	0.6
724.17224	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57104	0.4
72.52235	0.6
124.04993	0.4
142.05640	0.4
170.42027	0.5
230.47493	0.5
235.44209	0.5
290.08115	11.5
302.08154	3.3
304.06027	9.2
318.07608	16.7
319.08405	59.1
320.09116	5.9
334.10727	100.0
336.12216	2.8
338.13763	0.8
478.11798	0.6
525.19189	0.6
724.23932	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51128	0.8
55.02208	0.7
55.10043	0.8
55.71890	0.8
58.06610	0.8
63.88860	0.9
69.99876	0.8
71.34654	0.7
71.66279	1.0
82.46247	0.9
137.05969	1.4
151.07558	1.2
153.05511	0.9
162.06802	2.3
165.05450	1.3
207.46945	1.0
290.08249	4.3
292.09579	9.6
304.06049	3.6
305.06714	1.8
306.07663	7.9
307.08127	2.3
308.09351	1.6
308.12787	2.2
318.07614	5.4
319.08344	22.7
320.05389	2.3
320.09113	50.9
321.09921	27.3
322.10645	4.5
334.06830	1.6
334.10748	40.5
335.11285	18.5
336.12262	100.0
337.12991	8.2
350.10358	5.7
352.15396	17.1
454.12830	1.4
486.15448	1.5
498.15448	22.3
516.16467	15.9
678.21301	1.1
706.21576	1.4
724.24377	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99659	0.4
62.98461	0.4
89.06567	0.4
93.20302	0.4
99.77479	0.5
105.99857	0.4
134.11688	0.4
149.22491	0.4
172.62117	0.5
178.19147	0.4
188.45392	0.5
229.29773	0.4
276.06570	0.7
290.08090	11.9
292.09689	1.0
302.08099	3.4
304.06052	9.9
306.07629	0.7
318.07596	15.8
319.08395	61.6
320.09152	13.7
321.09906	3.3
322.10443	0.8
324.12378	4.1
334.10736	100.0
336.12256	8.8
352.11801	15.4
352.15286	0.5
353.15616	0.8
354.15906	0.7
469.11890	0.6
482.13358	0.5
484.13828	0.7
498.15521	1.0
530.14722	2.0
724.24182	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00056	0.5
87.61125	0.5
93.18303	0.5
105.50553	0.5
164.36224	0.5
173.00227	0.5
290.08075	12.2
296.99698	0.5
302.08078	3.3
304.06003	10.3
318.07602	16.1
319.08395	58.1
320.09195	7.4
334.10739	100.0
336.12308	2.8
364.11792	1.1
526.17334	1.1
596.81378	0.6
724.24103	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51128	0.8
55.02208	0.7
55.10043	0.8
55.71890	0.8
58.06610	0.8
63.88860	0.9
69.99876	0.8
71.34654	0.7
71.66279	1.0
82.46247	0.9
137.05969	1.4
151.07558	1.2
153.05511	0.9
162.06802	2.3
165.05450	1.3
207.46945	1.0
290.08249	4.3
292.09579	9.6
304.06049	3.6
305.06714	1.8
306.07663	7.9
307.08127	2.3
308.09351	1.6
308.12787	2.2
318.07614	5.4
319.08344	22.7
320.05389	2.3
320.09113	50.9
321.09921	27.3
322.10645	4.5
334.06830	1.6
334.10748	40.5
335.11285	18.5
336.12262	100.0
337.12991	8.2
350.10358	5.7
352.15396	17.1
454.12830	1.4
486.15448	1.5
498.15448	22.3
516.16467	15.9
678.21301	1.1
706.21576	1.4
724.24377	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07001	0.5
77.05082	0.5
82.17009	0.5
82.85815	0.6
96.08058	0.8
102.99651	0.5
106.43451	0.5
107.71550	0.5
110.45226	0.4
114.09164	8.3
115.09422	0.8
209.16457	0.9
210.16899	0.9
226.19106	0.8
228.15913	1.0
290.08099	10.1
302.07983	3.5
304.06030	10.3
308.09024	3.9
315.08737	0.6
318.07581	16.2
318.11142	1.0
319.08386	60.1
320.09052	5.4
321.09912	0.7
334.10721	100.0
335.11224	0.7
336.12228	5.4
352.15576	1.8
353.15817	2.4
354.15829	0.9
389.59213	0.7
431.76889	0.7
452.11090	0.6
466.12747	0.8
480.14380	1.2
510.88968	0.6
723.88782	3.7
724.23743	63.1
747.06512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36985	0.2
58.70692	0.2
59.80400	0.2
77.35420	0.2
122.32526	0.3
276.06558	0.5
290.04968	0.5
290.08102	11.4
302.08115	3.6
303.08743	0.3
304.06012	10.8
308.12842	0.4
318.07629	15.4
319.08386	59.2
334.10721	100.0
336.12390	1.2
337.12964	1.5
352.15378	3.9
390.75711	0.3
449.93777	0.3
724.23816	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61180	0.7
67.03835	0.8
67.07717	0.7
89.36990	0.8
113.02824	0.7
126.64453	0.8
137.05893	0.7
149.05997	1.3
153.05455	1.2
162.06645	0.9
163.79846	0.8
165.05489	1.8
165.10115	0.7
168.43327	0.7
279.05307	5.2
291.09094	1.5
306.07535	7.7
307.08508	3.3
319.08398	4.5
320.05679	1.0
320.09149	6.2
321.09894	1.8
322.07315	1.3
322.10638	6.5
334.07187	2.2
334.10663	13.6
335.07718	1.9
336.12378	1.5
350.10223	7.6
387.10797	0.9
442.13150	0.9
454.12796	1.1
472.13834	1.2
482.12686	1.4
486.15082	1.9
498.15533	24.7
516.16498	49.8
526.14722	1.1
544.16467	6.0
650.20074	1.1
657.18060	1.1
706.23718	2.0
724.23822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40392	0.6
53.60887	0.6
54.62091	0.6
59.90455	0.6
67.31797	0.6
76.37691	0.7
92.21197	3.2
95.20369	0.8
159.35657	0.7
290.08072	13.8
302.08148	4.0
304.06021	10.8
314.11398	0.7
318.07617	15.2
319.08380	62.0
320.09161	14.5
321.09433	1.5
322.10907	1.3
323.11566	2.9
329.11490	0.9
329.61716	1.0
334.10724	100.0
335.11069	1.5
336.12299	8.7
337.12900	1.5
338.13849	7.0
358.47812	0.8
384.08585	3.0
411.07742	1.1
418.13129	2.7
426.09616	4.9
444.10629	1.7
452.68451	0.8
469.11288	1.0
483.12860	0.8
724.23383	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
75.47168	0.7
109.47071	0.9
114.80501	0.6
137.05971	1.1
149.05965	1.3
153.97876	0.8
162.06822	0.7
165.05469	1.1
169.87454	0.8
180.31779	0.7
278.08069	0.9
279.05338	3.0
290.08289	1.3
291.08810	1.7
304.06198	0.9
306.07700	7.8
307.08475	1.2
308.09344	1.2
318.07648	4.1
319.08392	11.6
320.05731	0.9
320.09048	6.8
321.09915	4.5
322.07184	1.2
322.10626	1.7
334.07135	2.3
334.10724	21.4
335.07806	1.0
335.11227	3.3
336.12271	8.9
337.12753	1.1
350.10260	6.9
387.11032	0.9
412.12350	0.9
430.13068	0.9
454.12967	0.8
472.13867	1.4
482.12506	1.0
497.24280	1.0
498.15433	23.0
516.16553	43.0
526.14929	3.2
544.16101	5.3
706.22760	1.4
724.23889	100.0
724.74823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12477	0.3
135.38208	0.3
139.53099	0.4
141.72096	0.4
146.02695	0.3
180.40271	0.3
201.23785	0.4
235.00716	0.4
250.58739	0.4
261.58264	0.5
290.08069	12.9
292.09659	1.5
302.08063	3.6
304.06006	10.8
304.09473	0.5
308.09186	2.8
318.07568	15.3
319.08380	58.8
320.09155	27.9
321.09677	0.5
334.10721	100.0
336.12112	2.6
338.13751	0.6
353.15900	0.9
354.15836	0.5
379.39142	0.5
384.08594	0.5
426.09933	0.5
706.22687	0.7
724.24060	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70607	0.4
58.06613	4.4
72.08125	0.5
76.60762	0.5
91.75639	0.4
98.15601	0.4
177.05391	0.6
227.06894	0.6
239.69519	0.5
251.06946	4.8
268.07327	1.0
269.08041	2.8
271.09583	0.7
279.06555	9.4
283.09418	0.7
296.06754	7.9
311.09125	100.0
356.14914	36.5
368.11337	3.9
397.78278	0.5
698.69122	0.5
724.23187	4.5
728.21021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32326	0.5
55.62335	0.7
58.06611	5.0
70.06579	3.0
71.26772	0.6
84.08157	0.8
85.02862	0.9
99.04451	1.3
120.08097	0.7
121.02823	1.1
121.06506	1.0
135.53934	0.6
136.07529	0.7
147.04398	3.1
149.06000	0.7
168.80554	0.7
177.05455	1.6
223.07515	0.9
227.07045	1.5
250.14786	0.9
251.06989	4.7
268.07117	1.0
269.08209	1.0
279.06509	10.2
296.06754	8.2
311.09100	100.0
356.14905	45.4
368.11234	3.3
414.03558	0.7
463.45038	0.8
504.48474	0.8
546.76563	0.7
568.93829	0.7
576.44702	0.9
724.23016	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39931	0.4
69.54221	0.4
69.62995	0.3
70.04015	0.4
85.02830	1.0
98.13409	0.4
104.88937	0.4
105.06902	0.4
105.08630	0.4
107.04897	0.6
108.59458	0.4
114.93379	0.5
127.03873	0.4
134.12840	0.4
137.09476	2.2
142.76418	0.5
147.07945	0.5
161.09590	3.4
165.09029	0.8
170.70023	0.5
184.51445	0.4
189.09052	0.5
190.04880	1.0
194.95314	0.5
239.27725	0.4
252.58838	0.4
262.08408	0.4
276.06396	0.6
277.07156	0.5
278.07965	0.4
290.08078	3.3
291.08704	0.4
292.09598	7.5
292.12585	0.6
302.08087	0.7
303.08429	0.5
304.06055	2.6
305.06470	0.7
307.08371	1.6
308.09222	8.2
308.12503	0.9
315.36945	0.4
318.07605	4.7
319.08347	13.2
320.09152	100.0
321.09683	1.9
322.10715	1.0
324.06992	0.6
334.10690	21.7
335.11084	5.6
336.12051	7.6
337.12732	2.1
349.05942	0.8
350.06451	0.8
350.10373	0.5
352.06409	1.6
352.15387	3.2
364.08118	15.6
486.15982	0.8
526.13678	3.8
530.17694	0.6
667.56567	0.4
724.26038	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01143	0.2
98.21059	0.3
103.24561	0.3
110.63300	0.3
137.06052	0.4
171.33589	0.3
278.08203	1.2
291.08759	0.3
292.09647	9.5
304.06351	0.5
304.09695	1.5
306.07690	4.4
307.08362	0.6
308.09152	0.5
318.07675	1.2
319.08405	5.0
320.09122	13.4
321.09937	25.0
322.10568	1.1
334.10669	5.7
335.11243	2.2
336.12283	100.0
337.12671	0.5
350.10260	0.6
498.15649	2.6
516.16620	0.7
532.01685	0.4
637.27618	0.4
678.22607	0.5
706.21674	0.5
713.35974	0.3
724.24823	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72611	1.1
106.73044	1.6
110.48606	1.4
197.42696	1.4
278.07950	1.4
290.08072	18.4
292.09631	10.4
299.50284	1.5
304.06055	8.9
304.09491	2.1
306.07407	3.4
318.07593	19.3
319.08398	54.2
320.09128	48.1
321.09869	26.6
322.10492	3.3
334.10718	91.7
335.11386	10.9
336.12274	100.0
337.12573	2.7
338.13736	1.7
364.08182	10.2
446.02686	1.6
514.18158	6.0
724.27301	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92638	0.4
54.54337	0.3
59.08426	0.4
66.85908	0.4
85.24088	0.4
92.20958	0.6
101.44563	0.5
108.61071	0.4
121.43862	0.4
151.85863	0.4
158.21933	0.4
160.79916	0.4
168.75299	0.4
204.22403	0.5
235.81418	0.5
276.06458	0.5
290.08063	10.1
302.08047	2.7
304.06015	9.0
304.09238	0.8
318.07574	13.7
319.08377	56.7
320.09064	6.0
321.10010	3.6
334.10715	100.0
335.11008	0.9
336.12308	12.1
337.12982	0.7
433.12064	0.5
724.27521	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15076	0.1
262.41101	0.2
275.82013	0.2
308.12790	13.6
319.08444	0.9
320.09299	0.4
320.12656	2.4
322.10745	5.6
323.11523	0.2
334.10696	1.7
336.12274	17.4
337.13055	30.6
352.15414	100.0
358.37592	0.2
503.69366	0.2
724.29688	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82725	0.2
51.26083	0.2
65.29186	0.3
100.47410	0.3
103.33514	0.3
106.94030	0.3
128.01143	0.3
145.17488	0.3
249.49110	0.3
290.08081	1.7
302.08231	0.4
304.06204	2.4
308.12796	14.1
318.07584	3.1
319.08405	16.5
320.09213	0.9
320.12830	3.0
322.10764	6.3
334.10742	36.6
336.12277	18.3
337.13077	30.7
337.17322	0.5
352.15427	100.0
372.12061	0.6
373.59048	0.3
587.48694	0.4
601.91913	0.4
724.19910	13.2
724.30890	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15076	0.1
262.41101	0.2
275.82013	0.2
308.12790	13.6
319.08444	0.9
320.09299	0.4
320.12656	2.4
322.10745	5.6
323.11523	0.2
334.10696	1.7
336.12274	17.4
337.13055	30.6
352.15414	100.0
358.37592	0.2
503.69366	0.2
724.29688	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36104	0.8
61.86127	0.8
63.09157	0.8
69.03434	100.0
79.70255	0.8
81.95227	0.9
87.04459	6.5
90.37095	0.8
99.24767	1.0
114.86962	1.0
138.64597	0.9
155.07022	14.8
167.66974	0.9
173.08089	3.5
195.02777	1.0
200.85162	0.9
241.10744	2.2
259.11621	2.9
266.67828	0.9
316.36511	0.9
320.09262	1.5
327.14218	1.6
334.10712	3.7
336.12280	3.6
337.12585	2.0
338.13278	1.9
342.03726	10.1
343.04025	22.0
344.04382	16.7
345.04379	7.2
345.15463	7.3
357.05984	3.8
358.06458	7.2
359.06781	7.4
360.06934	3.7
363.16678	1.7
372.08386	12.0
373.08777	20.5
374.08994	18.8
375.09290	9.7
431.19067	4.8
449.20474	0.9
478.37421	1.1
517.22711	1.9
535.23474	1.6
724.39349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.7
57.03440	1.4
61.02923	4.5
67.05517	7.3
69.03433	3.0
69.07070	13.8
73.02905	1.1
76.88191	0.7
79.05087	0.6
79.05483	8.2
81.03416	5.0
81.07060	8.2
83.04986	1.7
83.08600	5.5
85.02923	5.8
91.03964	4.7
91.05489	4.6
93.07027	8.6
95.04962	3.1
95.08599	6.7
97.02874	7.6
97.06531	1.0
97.10173	9.8
105.07030	4.1
107.04949	3.5
107.08635	6.0
109.10140	4.7
111.08089	1.5
114.90239	0.9
117.07020	3.2
119.08548	7.5
121.10104	4.2
123.08062	1.2
125.09611	8.6
127.03942	1.6
131.08554	5.6
133.10130	3.2
135.08038	1.5
135.11682	0.9
137.09624	1.7
143.08527	1.6
143.10661	0.9
145.04965	0.9
145.10141	6.1
147.08073	3.3
147.11676	3.2
149.09515	0.9
149.13287	1.8
157.10139	1.4
159.11751	1.8
159.19998	0.8
163.11115	1.6
165.09087	1.1
171.11613	0.9
175.11150	1.7
177.12714	0.8
189.11237	3.0
193.12268	3.4
205.12180	1.1
211.13171	1.3
223.13281	13.7
225.77888	0.8
226.55005	0.8
227.12820	3.7
231.75456	0.8
245.18925	1.0
273.18463	9.1
285.16940	15.8
291.19531	94.5
321.09946	1.2
336.12454	6.1
337.12704	1.0
347.22156	1.7
365.23203	100.0
383.24402	2.9
405.71957	0.8
429.21686	1.0
432.38263	0.9
456.81299	0.9
509.27386	1.2
527.28766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.7
57.03440	1.4
61.02923	4.5
67.05517	7.3
69.03433	3.0
69.07070	13.8
73.02905	1.1
76.88191	0.7
79.05087	0.6
79.05483	8.2
81.03416	5.0
81.07060	8.2
83.04986	1.7
83.08600	5.5
85.02923	5.8
91.03964	4.7
91.05489	4.6
93.07027	8.6
95.04962	3.1
95.08599	6.7
97.02874	7.6
97.06531	1.0
97.10173	9.8
105.07030	4.1
107.04949	3.5
107.08635	6.0
109.10140	4.7
111.08089	1.5
114.90239	0.9
117.07020	3.2
119.08548	7.5
121.10104	4.2
123.08062	1.2
125.09611	8.6
127.03942	1.6
131.08554	5.6
133.10130	3.2
135.08038	1.5
135.11682	0.9
137.09624	1.7
143.08527	1.6
143.10661	0.9
145.04965	0.9
145.10141	6.1
147.08073	3.3
147.11676	3.2
149.09515	0.9
149.13287	1.8
157.10139	1.4
159.11751	1.8
159.19998	0.8
163.11115	1.6
165.09087	1.1
171.11613	0.9
175.11150	1.7
177.12714	0.8
189.11237	3.0
193.12268	3.4
205.12180	1.1
211.13171	1.3
223.13281	13.7
225.77888	0.8
226.55005	0.8
227.12820	3.7
231.75456	0.8
245.18925	1.0
273.18463	9.1
285.16940	15.8
291.19531	94.5
321.09946	1.2
336.12454	6.1
337.12704	1.0
347.22156	1.7
365.23203	100.0
383.24402	2.9
405.71957	0.8
429.21686	1.0
432.38263	0.9
456.81299	0.9
509.27386	1.2
527.28766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.05502	3.0
66.85480	2.0
67.05508	15.8
69.03416	3.1
69.07039	4.1
73.02915	20.8
78.41397	2.0
79.05492	8.8
81.03419	14.7
81.07056	24.0
83.08609	2.5
85.02906	17.7
91.05479	3.2
93.07038	5.1
95.08583	16.0
97.02889	13.1
99.04461	82.7
103.03921	3.4
105.07066	3.6
107.04955	2.7
107.08576	4.1
108.09607	2.3
109.10171	8.9
117.89907	2.3
119.08599	3.2
125.05967	13.2
127.03910	9.3
131.08505	4.3
133.10135	4.5
135.11685	3.2
139.03882	2.2
139.82353	1.9
141.05475	18.1
147.11690	2.3
153.05457	69.5
154.06192	16.7
157.62650	2.2
161.13260	2.5
170.05759	3.4
175.14792	3.3
185.08093	100.0
209.08044	5.0
227.09163	9.1
243.08644	8.3
247.09846	3.0
251.09189	15.1
263.23676	4.4
275.09082	17.9
293.10245	26.1
320.09302	2.8
329.04471	2.0
347.25635	2.7
353.24948	2.7
389.26385	2.7
407.28070	2.3
445.29617	3.0
469.29526	3.8
487.30661	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28156	4.1
55.05499	4.9
56.28612	4.6
57.07069	8.3
61.02926	20.4
61.15721	4.9
67.05511	61.1
69.07075	19.9
71.55497	5.7
75.07638	5.8
79.05502	8.7
81.07060	74.0
83.08621	40.5
85.02887	32.7
87.04553	4.8
91.03957	26.4
92.21529	6.1
93.07051	11.5
93.96768	5.0
95.08610	85.9
97.02884	11.2
97.10175	22.9
97.95144	5.2
107.08615	10.3
109.10178	43.2
111.08129	5.6
115.14513	5.0
117.16689	4.7
119.08575	6.7
121.10139	27.1
123.11755	25.9
127.03870	8.3
127.92358	5.2
133.10152	12.3
135.11673	23.5
137.13315	11.7
145.04919	5.8
149.13345	5.3
151.14774	7.0
161.13225	6.4
163.06004	12.6
177.16379	5.4
203.17938	5.6
258.27887	23.0
273.25821	25.9
291.26761	100.0
365.30435	72.7
383.31696	58.8
391.25751	7.8
724.49554	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52268	1.2
79.58255	1.3
92.20911	1.5
93.94859	1.4
114.84521	1.5
168.62892	1.5
176.58069	1.5
320.09109	6.4
334.10626	1.7
336.12119	1.9
337.12537	2.1
359.04025	8.6
374.06332	100.0
382.67755	1.5
531.14398	1.7
595.70715	1.7
628.99561	1.6
725.28766	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20016	1.3
71.44860	1.4
101.00899	1.5
118.07207	1.5
119.01932	1.9
120.03112	1.3
131.26883	1.2
143.01889	20.5
145.03511	5.3
155.01918	9.1
161.02965	10.6
167.01895	10.0
173.02925	12.4
185.02954	34.2
197.02968	12.8
201.02570	1.9
203.03932	11.9
209.03038	1.6
215.04045	10.6
221.05174	7.0
223.04570	2.2
227.03998	12.7
232.98726	1.5
235.04582	9.0
239.04102	5.8
245.05069	74.2
247.04710	2.3
253.05647	7.9
257.05069	2.9
263.03796	2.1
263.06204	11.1
275.06250	1.9
277.05725	2.1
279.07193	2.6
281.04913	2.7
289.05643	7.2
291.03485	1.3
293.05112	8.1
294.05731	14.9
311.05972	4.8
319.06766	9.0
323.06165	2.2
337.03738	1.9
337.07660	56.0
341.07281	1.9
347.06116	28.1
355.08698	62.5
365.06732	12.6
383.08215	77.8
401.09283	62.4
401.14325	2.2
419.10345	14.2
443.10544	10.4
473.11646	3.2
503.12173	10.9
545.13531	11.5
563.14526	25.0
605.15967	5.5
725.19855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66934	1.3
68.28793	1.3
68.38947	1.6
91.79545	1.4
96.62102	1.5
102.98279	1.6
105.49727	1.4
127.02457	1.7
143.01877	13.5
145.03510	3.5
155.01872	10.8
161.02968	9.1
167.01901	3.4
169.03471	1.7
173.02966	11.9
178.35912	1.6
185.02953	31.0
185.04425	2.2
197.02982	6.9
203.04070	8.6
215.04047	9.3
221.05081	5.7
227.03979	11.0
235.04565	3.5
245.05066	69.8
247.04730	3.4
253.05663	7.4
257.05109	3.0
263.06241	11.4
275.06241	2.4
277.05536	3.5
289.05576	7.2
293.05063	6.7
294.05893	13.6
319.06732	7.3
337.07684	48.2
347.05988	24.4
355.08743	57.9
365.07327	7.5
383.08243	60.9
401.09256	53.7
419.10602	12.5
443.10324	9.6
473.11746	1.7
503.12598	9.2
545.13727	18.5
563.14539	25.1
605.16211	1.7
640.41418	1.9
725.19727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64161	0.8
90.24952	0.8
136.30772	1.0
140.00824	1.0
144.72470	1.0
320.09204	3.8
323.93958	1.0
336.12268	1.3
374.09985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06627	1.1
71.26101	0.9
76.64281	1.0
80.94160	0.9
105.07033	1.7
119.71890	1.0
131.48135	0.9
133.06491	4.3
137.05972	2.2
148.05223	1.6
159.08014	1.3
161.06013	10.6
166.06218	7.3
171.08064	2.0
175.07541	5.4
181.08595	50.7
190.06262	15.7
191.06924	1.4
199.07533	29.3
205.08598	39.0
206.09398	1.9
261.09027	2.1
273.09085	1.2
275.10641	1.5
276.11356	4.4
289.08670	7.0
291.09943	1.7
292.10928	1.7
293.11746	4.7
303.10117	5.5
304.10956	11.7
305.07993	3.7
305.11697	21.6
307.13263	4.1
319.08942	1.6
320.10065	5.1
321.11234	28.3
334.10712	3.5
335.12640	14.4
336.13544	60.3
336.17709	2.1
337.10641	4.1
352.12927	2.2
367.15402	100.0
369.17017	1.2
427.17560	19.6
523.07147	1.1
591.42023	1.3
648.22803	9.4
725.30713	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71792	0.5
61.41225	0.5
70.47771	0.6
74.64529	0.6
80.31004	0.6
104.75646	0.6
132.05701	1.1
154.06248	0.7
160.05183	1.3
161.06015	0.9
167.07065	4.1
177.05511	6.2
178.76505	0.7
181.08568	1.3
182.09383	9.3
192.07809	19.7
193.08653	0.9
210.08884	6.3
285.07736	2.6
286.07907	2.5
297.09970	0.9
311.07877	14.1
312.08701	3.3
320.09253	1.6
321.09955	3.0
326.10193	51.6
334.10800	1.0
336.12201	6.9
339.07410	7.5
339.10678	1.0
340.08139	8.1
354.09644	13.5
354.13348	0.8
362.06415	0.8
377.08902	53.2
382.09381	3.7
488.13474	1.4
498.11850	0.8
513.14209	1.5
516.12836	2.5
519.15424	2.5
531.15375	4.4
549.16418	3.8
564.18622	100.0
726.23901	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65367	0.2
58.82869	0.2
64.67074	0.2
69.50220	0.2
80.34418	0.3
81.88544	0.3
85.02874	0.3
92.20911	0.4
119.82982	0.3
122.94497	0.3
212.79109	0.3
227.78731	0.3
234.00737	0.3
260.00348	0.3
262.08408	0.3
272.60275	0.3
278.08200	1.1
279.08978	0.5
290.08099	1.6
294.07675	0.6
304.05988	1.2
306.07590	10.1
318.07669	2.3
319.08380	4.8
320.05539	5.0
320.09000	1.4
321.09705	0.6
334.07047	5.4
334.10797	7.4
335.07864	35.9
335.10913	1.6
336.12299	2.9
337.13443	0.4
350.10233	100.0
372.12366	1.1
600.96539	0.3
624.17181	1.0
726.23895	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87680	0.4
55.98611	0.4
66.51331	0.4
73.54156	0.4
75.81974	0.3
81.07076	0.5
85.02927	0.4
92.84798	0.4
120.07852	0.5
121.06472	0.4
121.10151	0.5
123.32320	0.4
127.14493	0.4
131.08675	0.5
137.04475	0.4
138.78835	0.4
175.14847	0.4
235.54491	0.4
241.14343	1.0
285.07355	0.5
291.87558	0.4
292.09616	10.5
304.09647	2.1
304.88907	0.4
306.07642	4.0
319.08301	1.5
320.09146	12.4
320.12729	0.6
321.09937	29.9
322.10172	0.6
334.10770	2.6
335.11057	0.9
336.12283	100.0
337.12720	2.4
349.24072	0.6
470.26141	0.4
726.24951	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36897	0.2
54.85884	0.2
86.50374	0.3
106.01097	0.3
141.41359	0.3
285.07718	1.7
286.07864	1.3
292.09650	11.2
304.09702	1.3
306.07648	3.5
319.08163	0.5
320.05402	0.7
320.09143	15.5
321.09958	29.0
322.10431	0.4
334.10590	2.2
335.07828	0.5
336.12289	100.0
350.10211	2.3
375.58948	0.3
489.11661	0.3
580.17535	0.6
679.83337	0.3
726.24878	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53321	0.6
67.12067	0.8
91.35199	0.8
292.09799	5.2
306.07837	0.8
307.08575	1.1
318.07611	1.9
319.08380	9.1
320.09131	49.0
321.09848	6.6
322.10687	1.5
334.10696	13.0
335.07883	2.8
335.11417	3.9
336.12234	27.2
336.15964	1.3
338.13846	1.6
340.54114	0.8
346.10907	3.8
350.10074	8.2
358.10632	1.2
364.11905	1.0
425.70328	1.0
436.15869	1.0
450.13596	1.7
452.15231	1.6
464.15240	3.8
465.15784	4.8
466.16449	6.7
468.14484	1.4
482.16455	7.4
483.16840	12.4
486.15573	10.3
498.15475	11.7
500.17041	4.3
510.15497	18.4
511.16696	1.4
512.17010	3.7
514.15332	8.2
515.15381	1.1
528.16577	25.2
530.17938	9.1
542.18085	9.5
556.19220	1.2
560.01978	1.0
726.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90025	0.2
84.43157	0.3
124.18722	0.3
167.07045	0.5
292.09628	7.9
304.09702	1.2
306.07666	2.4
308.12933	0.5
319.08246	1.3
320.09149	16.2
321.09927	21.3
322.10550	1.5
334.10809	1.7
335.11200	1.2
336.12289	100.0
337.13028	0.4
338.12936	0.4
383.89072	0.4
440.11276	0.4
644.37286	0.4
726.24756	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90025	0.2
84.43157	0.3
124.18722	0.3
167.07045	0.5
292.09628	7.9
304.09702	1.2
306.07666	2.4
308.12933	0.5
319.08246	1.3
320.09149	16.2
321.09927	21.3
322.10550	1.5
334.10809	1.7
335.11200	1.2
336.12289	100.0
337.13028	0.4
338.12936	0.4
383.89072	0.4
440.11276	0.4
644.37286	0.4
726.24756	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58945	0.9
56.30429	1.0
56.63526	0.9
58.06604	7.3
63.75594	0.9
64.36987	1.0
70.00983	0.9
70.06623	1.4
93.95740	0.9
140.15027	1.0
194.08824	1.1
255.04251	1.0
265.08655	1.6
294.11066	12.3
297.11160	1.6
307.08151	1.1
310.10776	1.7
319.08276	4.2
320.09247	9.0
321.09720	8.0
322.10526	10.6
323.11084	1.2
334.10703	9.3
335.11237	4.4
336.12265	18.4
337.12646	10.9
338.09738	1.2
338.13382	7.4
350.13766	2.1
352.11584	1.4
352.15448	2.0
470.15820	5.3
483.16650	1.8
484.17535	9.4
486.19543	3.6
488.16898	2.0
497.18591	1.4
500.16577	9.3
501.17825	1.8
502.18579	4.5
514.18530	4.7
515.19519	5.8
516.20184	31.5
528.20050	2.1
530.21741	70.9
726.29254	100.0
726.42004	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00506	0.4
53.40414	0.4
53.62164	0.4
53.77398	0.3
58.06613	0.8
58.94735	0.4
70.06605	0.4
75.30341	0.4
103.95124	0.4
123.80659	0.4
177.12561	0.5
220.93362	0.5
222.44734	0.4
281.08133	2.0
290.08075	0.7
291.09067	0.5
292.09665	6.7
296.10400	2.2
304.09583	0.6
305.06668	0.5
306.07532	1.9
307.08310	0.7
318.07626	0.9
319.08389	4.4
320.09100	15.6
321.09915	21.2
322.10489	2.2
323.11270	0.7
334.10626	7.3
335.11136	4.6
336.12277	100.0
337.12906	0.7
338.13403	1.0
352.15402	0.7
726.27698	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76015	0.5
58.06610	39.5
65.47719	0.5
92.20972	0.5
92.69701	0.6
129.07108	0.6
161.06023	3.2
161.92612	0.5
166.06230	0.6
169.06737	0.5
175.07593	1.2
176.43373	0.6
181.08604	10.1
187.07590	3.2
187.32597	0.5
205.08748	2.0
221.09795	0.6
248.35895	0.6
249.09172	2.4
261.09164	0.9
277.08597	21.6
278.09421	1.2
289.08716	1.2
291.10419	0.9
294.08865	20.7
294.11893	1.1
295.09735	1.2
295.13287	0.9
303.10107	2.7
305.11975	0.6
309.11203	55.4
310.12131	3.0
319.08643	0.8
320.09662	0.9
325.14520	1.2
327.12488	0.7
333.11346	0.6
334.10999	3.2
335.12741	2.6
336.13199	1.0
341.13885	2.9
398.90543	0.6
681.26630	0.7
726.32739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70644	1.1
57.29585	1.3
58.06609	58.3
58.15395	1.2
60.96747	1.1
65.54933	1.2
83.39291	1.5
91.18909	1.3
105.07027	1.5
129.07062	1.4
137.97324	1.3
151.52771	1.2
155.42451	1.5
159.08122	2.0
161.06017	5.6
175.07585	5.6
181.08572	20.8
187.07599	7.2
250.25665	1.5
257.09598	2.0
260.08508	5.2
263.07022	2.6
265.08774	2.8
267.10107	1.8
271.07736	1.9
275.10742	11.1
277.08707	7.9
288.07852	2.5
290.08246	1.7
292.10660	1.7
294.08954	9.2
295.09845	2.7
296.10657	1.6
297.11386	4.8
303.10098	13.0
305.11911	1.8
308.10226	1.4
309.11252	20.8
310.73102	1.3
318.07770	2.5
319.08527	9.2
320.09232	6.3
321.11276	1.6
325.14612	4.8
334.06879	2.2
334.10638	18.5
335.12726	2.0
336.13080	3.2
364.08365	2.8
386.66006	1.6
401.10675	1.4
696.31445	2.8
726.32813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71354	0.6
58.06310	1.4
58.06607	42.3
62.38597	0.7
72.08147	0.8
79.11264	0.7
80.15157	0.7
82.05073	0.8
86.16802	0.8
92.20883	1.4
93.42318	0.7
105.06902	0.7
129.07065	0.9
129.81757	0.8
147.55983	0.8
159.08099	3.3
161.05956	6.2
161.52570	0.8
166.06288	3.2
173.09976	0.7
175.07588	5.3
181.08583	17.7
187.07480	6.0
195.10239	1.3
199.07523	1.6
205.08621	3.6
235.07727	1.4
237.09032	1.0
249.09113	0.9
257.09763	1.4
260.08267	1.7
260.21973	0.8
263.07019	2.9
265.08701	3.9
275.10703	8.5
277.08530	8.7
282.08905	1.2
288.07922	1.6
289.08719	1.0
292.10904	1.4
294.08868	9.0
295.09714	4.6
295.13083	1.0
297.11246	2.9
303.10162	11.3
305.11734	1.6
308.10471	0.9
309.11200	19.9
319.08353	2.6
320.09436	1.4
321.11240	1.5
324.13751	1.6
325.14316	2.9
334.10956	5.1
335.12823	1.5
336.13336	1.9
389.44724	0.9
726.32672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46458	0.5
56.71255	0.4
58.01691	0.4
58.06609	35.8
59.40396	0.5
61.23205	0.4
61.41884	0.4
65.14446	0.4
72.08164	0.6
75.46035	0.4
86.15534	0.5
105.07011	0.8
129.35889	0.5
133.06541	0.5
139.80212	0.5
155.41644	0.5
161.06012	3.0
164.68912	0.5
166.06183	0.7
167.07019	0.6
175.07558	1.2
181.08569	14.7
181.10022	0.7
187.07571	3.3
191.07155	0.7
199.07591	0.8
205.08556	1.0
229.10059	4.0
243.08171	3.0
245.09651	2.2
247.11206	1.0
257.09579	8.9
257.11667	0.5
260.08264	11.9
260.10666	0.7
261.09348	0.6
271.07492	8.0
271.09579	0.4
273.09192	2.6
274.09985	0.8
275.10638	33.5
285.09109	5.3
286.09729	0.8
288.07874	13.6
289.08685	0.6
291.10275	0.7
295.13428	1.0
302.09473	1.1
303.10147	41.1
304.10968	1.1
305.11865	1.9
309.11276	0.8
317.11801	2.3
320.10406	1.2
321.11337	0.6
324.13739	1.1
334.10706	1.0
335.12723	1.1
336.13525	1.2
429.51773	0.6
681.28119	0.6
726.32727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	38.8
63.45478	0.8
72.08171	0.8
76.23920	0.7
98.21111	0.7
118.46729	0.7
122.58372	0.8
133.06474	1.4
150.32001	0.7
161.05954	3.2
166.06294	3.1
167.06821	0.9
175.07587	3.5
181.08568	16.4
187.07594	3.3
199.07599	1.2
205.08591	3.2
229.10262	2.9
233.86349	0.8
243.08076	1.6
257.09558	7.7
260.08340	9.4
271.07504	8.2
272.08560	1.1
273.09021	2.7
274.10101	1.0
275.10645	35.4
285.09186	7.1
288.07855	11.8
291.10062	1.0
302.09317	1.6
303.10156	37.3
304.11026	1.2
305.11758	1.8
306.07910	1.3
317.11823	1.1
319.08539	1.1
320.09949	1.3
321.11270	1.6
323.12357	1.1
334.10980	3.2
335.12735	3.8
336.13397	1.2
363.19727	0.8
369.16104	1.1
726.32776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	49.7
58.06886	2.3
99.04478	1.6
161.06059	1.6
166.06198	1.7
181.08615	12.5
192.10254	2.2
230.00197	1.6
265.08585	2.0
275.10751	1.7
277.08585	22.4
279.10352	1.9
294.08856	20.5
296.10461	1.6
297.11179	2.4
303.10254	2.3
309.11227	54.1
309.14597	1.9
310.12103	3.1
319.08514	2.0
320.09238	5.8
334.10629	13.4
335.11652	1.5
336.12402	2.5
341.13959	2.7
440.47821	1.4
638.85400	1.5
726.32776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82784	0.5
56.58628	0.5
58.06608	37.8
63.78826	0.6
66.08511	0.5
81.96724	0.4
86.03616	0.5
96.91368	0.5
98.09256	0.5
133.06509	1.1
154.99275	0.5
159.08125	0.8
161.06012	2.8
162.21056	0.6
166.06285	2.7
175.07574	3.9
181.08588	17.4
187.07620	3.7
195.85420	0.6
203.06613	0.5
205.08733	2.5
229.10226	1.3
243.08138	2.5
245.09673	0.7
257.09628	7.2
260.08331	8.9
263.06998	0.8
263.10828	0.9
264.11679	0.8
265.08582	1.2
271.07516	4.0
273.09222	2.3
274.10089	0.9
275.10645	22.7
277.08636	3.7
278.09406	0.6
285.09137	4.1
286.09906	0.8
288.07788	10.6
294.08914	2.9
295.13129	0.7
297.11349	2.1
303.10162	31.6
304.11020	2.5
305.11465	0.9
309.11163	6.7
310.11984	0.8
317.11783	0.9
320.09592	0.7
321.11304	1.1
324.13583	0.9
325.10770	0.6
325.14355	0.9
334.10980	0.9
335.12885	2.8
336.13486	1.0
341.14130	0.7
589.50043	0.7
726.32721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84296	0.5
61.05490	0.4
67.05495	0.7
71.57845	0.5
72.18846	0.5
81.07094	0.6
87.60627	0.6
94.91535	0.6
95.08580	1.3
112.48658	0.6
118.08843	0.6
121.10175	0.7
133.10217	0.5
165.97101	0.5
187.86472	0.6
231.22021	0.5
243.16086	0.6
279.08746	0.7
306.07626	11.2
312.03400	0.5
318.07672	2.4
320.05515	5.5
320.08948	0.8
321.09988	0.7
334.07153	7.5
335.07864	41.7
336.12421	2.4
350.10220	100.0
422.20215	0.6
726.36304	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49338	0.7
79.75670	0.8
88.43674	0.7
134.87889	0.9
154.22342	0.8
165.60947	0.9
177.96288	1.1
269.45129	0.9
306.07620	15.4
320.05377	6.8
321.05850	0.9
321.09888	3.8
334.07117	8.9
335.07852	40.2
336.12350	12.6
350.10208	100.0
350.70245	0.9
523.95966	1.1
585.67419	1.1
726.36432	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84682	0.3
56.83301	0.2
62.35925	0.3
63.84660	0.4
69.07069	0.5
73.54550	0.3
75.73453	0.3
105.33015	0.3
129.41820	0.4
138.04718	0.3
174.05492	0.7
186.05602	0.4
187.06242	3.9
188.07123	0.7
209.87398	0.3
255.57135	0.4
286.22189	0.3
333.11429	0.8
334.10852	2.7
347.12537	1.4
351.79636	0.4
360.13495	0.4
373.14603	0.5
401.17664	0.5
429.20825	0.7
431.22318	0.5
457.23621	0.6
458.37381	0.4
461.21213	0.4
468.14423	0.4
478.12924	0.5
480.14603	1.5
482.15897	0.7
488.14764	0.5
492.14148	0.8
493.14990	0.6
494.15787	4.3
502.16290	1.4
506.16077	1.4
518.15521	3.4
519.16833	0.8
520.17499	6.7
521.18359	0.8
532.16968	0.5
533.18512	1.4
534.18927	3.7
536.20697	0.8
546.19080	2.2
548.20801	0.7
558.19885	0.5
560.20825	0.6
572.20789	0.7
573.21814	0.5
574.22186	5.0
586.23053	0.6
588.23871	11.8
602.25165	6.4
604.26672	5.1
614.25562	1.3
624.27515	1.5
628.27051	0.8
640.30743	0.6
642.28387	4.0
657.30182	0.5
682.35992	0.4
710.34668	1.7
726.37842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.05511	10.7
57.03451	18.7
61.02931	29.6
67.05177	3.2
67.05507	58.7
69.03425	11.5
69.07069	17.6
71.04983	8.2
73.02901	9.7
74.32645	2.0
79.05491	52.0
81.03413	13.7
81.07057	67.2
83.04977	9.4
83.08614	12.8
85.02908	55.7
85.06552	2.6
91.03959	39.3
91.05473	46.1
93.07042	71.5
95.04973	11.5
95.08599	35.0
96.93595	2.0
97.02891	29.2
97.06497	9.8
97.10121	3.6
99.04436	3.5
99.08094	4.0
105.07025	49.4
107.04955	3.8
107.08585	40.1
109.02900	2.3
109.06533	3.5
109.10143	34.0
111.08076	11.0
113.52158	2.4
115.03911	2.9
117.07024	17.0
119.02982	2.2
119.08575	46.6
121.06460	3.0
121.10138	39.4
123.08094	4.5
123.09229	2.0
125.09639	9.7
127.03910	14.1
127.45006	2.4
129.05508	4.3
129.06996	4.4
131.08542	33.6
133.10133	54.0
135.08055	5.0
135.11693	19.9
137.09608	2.7
139.11066	2.5
143.08554	11.7
145.04956	14.4
145.10132	24.7
147.11684	48.6
149.09631	8.9
149.13274	21.4
155.08487	2.1
155.10597	2.6
157.10141	12.1
159.11678	42.1
161.00642	2.4
161.09579	3.2
161.13222	25.8
163.06003	8.7
163.11229	4.2
169.10101	3.9
171.11699	13.9
173.11832	3.8
173.13242	17.8
175.14790	8.5
177.12671	4.1
179.14326	4.0
181.08501	2.3
185.13208	16.2
187.14809	3.1
195.13850	5.0
199.14731	2.7
211.01183	2.8
211.90195	2.8
221.68738	2.6
229.14281	33.7
241.19453	15.0
257.18866	7.3
259.20517	43.5
269.17450	51.4
275.19974	16.3
333.24130	2.3
336.12207	4.6
349.23718	34.1
351.20981	4.6
351.25256	100.0
367.24643	3.5
402.93576	2.7
513.30841	2.7
568.69562	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75416	10.5
55.01879	16.1
55.05502	16.1
61.02920	19.6
66.48480	10.8
67.05505	61.3
79.05478	30.8
81.07070	49.1
83.05013	12.6
85.02905	49.2
91.03965	19.8
91.05474	29.6
93.07038	59.7
95.04932	19.6
95.08586	28.6
97.02872	16.1
105.07040	27.3
105.89957	13.2
107.08600	21.1
109.10169	53.7
119.08561	50.7
121.10172	12.9
125.09647	57.2
129.87050	12.5
131.08611	13.5
133.10150	28.6
134.31267	14.2
135.07983	14.0
135.11650	18.1
145.10126	12.5
147.11681	51.5
159.11668	19.7
173.11818	16.7
229.14352	73.3
259.20627	20.0
269.17590	16.6
322.94968	12.6
330.05579	11.5
334.10718	16.7
336.12198	63.7
349.23679	14.1
351.25189	79.0
356.75763	14.0
367.24667	100.0
418.08957	73.1
666.03046	14.8
758.17932	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.8
57.03442	7.2
60.29548	3.6
61.02921	38.8
64.31858	4.1
67.05508	47.4
69.03442	4.8
69.07047	25.8
69.63876	3.8
73.02910	8.1
73.56335	3.9
79.05495	57.7
81.07056	53.8
83.05008	4.9
83.08634	7.0
85.02901	48.6
85.06553	5.3
91.03960	42.4
91.05473	86.3
93.07037	72.5
95.04952	6.8
95.08601	65.1
97.02863	25.3
97.10151	8.3
105.07034	71.2
107.04936	6.3
107.08590	41.7
109.10150	32.0
111.08071	9.0
114.42074	4.4
114.49400	4.1
117.07003	74.2
119.08582	51.8
121.06522	5.4
121.10110	59.5
127.03928	5.0
129.06987	26.3
130.96335	5.1
131.08553	79.6
133.10126	100.0
135.08055	7.2
135.11690	30.9
139.91342	4.9
143.08566	33.9
145.04973	20.0
145.10109	50.1
147.11676	62.8
149.13277	11.4
151.89328	5.1
152.71669	5.0
157.10025	8.8
159.11678	65.0
161.13214	24.4
163.06020	8.0
171.11624	18.0
173.11850	6.0
173.13203	40.1
185.13275	19.7
199.14803	21.7
212.63565	4.8
217.15805	16.5
229.14250	20.0
236.93347	5.2
241.19514	20.5
243.82195	5.1
259.20575	60.9
275.20160	10.1
291.19589	6.2
300.54138	5.9
309.20590	77.5
320.09033	21.9
333.24030	17.7
336.12241	6.6
349.23633	24.8
351.25290	89.1
367.24704	5.6
432.27249	5.1
495.28796	6.6
541.52051	5.0
614.52209	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63009	1.4
55.01871	2.9
55.05519	7.5
57.03437	12.0
58.06598	3.7
61.02919	11.5
63.58887	1.8
67.05512	37.6
69.03428	7.8
69.07063	12.1
71.04987	3.1
71.08631	2.2
73.02908	2.9
75.41453	1.6
79.05495	24.1
81.03419	6.9
81.07058	56.8
83.04964	9.0
83.08604	9.3
83.69672	1.9
85.02905	18.7
85.06506	2.3
91.03945	11.5
91.05475	19.0
93.07042	44.3
95.04974	4.5
95.08613	29.1
97.02905	7.3
97.06510	12.1
97.10166	3.4
99.04480	3.9
99.08054	2.9
105.07034	16.4
107.04944	4.1
107.08594	22.5
109.06512	7.0
109.10139	10.3
111.08090	13.9
117.07022	7.8
119.08600	13.1
121.06467	3.7
121.10138	14.9
123.08005	2.5
123.11759	2.9
125.09637	7.4
127.03912	3.0
129.05481	1.7
129.07056	3.1
131.08600	14.2
133.10127	25.5
135.11702	16.6
137.09593	3.4
145.04984	3.0
145.10121	12.1
147.11674	15.3
149.09596	7.9
149.13280	25.0
151.11246	2.4
155.08472	2.2
158.40237	1.7
159.11682	31.8
161.13239	8.3
163.11150	9.0
165.12738	2.3
171.11719	2.0
173.11823	2.2
173.13260	10.2
175.14510	1.9
177.12770	17.1
179.14476	5.6
187.11217	2.2
192.10172	2.5
195.13779	12.3
197.13139	2.8
205.12201	2.1
213.16743	1.8
229.14384	4.5
239.17940	2.8
255.15933	15.1
257.19067	3.2
269.17459	100.0
275.20078	14.3
283.18988	13.7
306.16925	2.1
309.20605	3.5
319.08170	2.1
320.09189	2.2
334.10602	3.8
336.12271	10.3
337.12494	2.3
349.23712	63.1
367.24799	43.4
385.25784	3.0
396.11002	3.2
420.17911	2.6
426.46442	2.2
431.41516	2.2
466.14758	8.7
511.28824	10.2
529.30310	3.3
726.23285	2.3
726.41907	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
57.03197	1.6
57.03438	12.6
61.02935	8.7
61.26626	1.1
63.62818	1.1
65.21445	1.3
67.05507	7.9
69.03435	2.6
71.01358	2.4
71.04987	1.6
73.02924	2.5
76.73611	1.2
79.05479	12.5
81.03422	1.9
81.07043	14.7
83.04977	2.7
83.08612	6.0
85.02908	15.9
91.03989	9.4
91.05483	6.7
93.07038	28.6
94.88908	1.2
95.08591	16.1
97.02894	5.6
97.06504	1.8
97.10207	1.1
99.08080	1.4
105.05686	1.1
105.07040	10.3
107.04899	1.5
107.08595	19.4
109.10145	7.3
117.07048	5.3
119.08576	7.2
121.10143	53.1
121.11016	2.4
123.08121	2.1
123.11669	1.3
125.09651	1.5
127.03944	2.3
129.07005	1.3
131.08577	15.4
133.10117	7.9
135.11702	2.2
139.11148	18.6
143.08603	2.0
145.05000	2.9
145.06340	1.2
145.10114	15.4
147.11697	6.9
147.82329	1.2
148.88159	1.2
149.09602	12.0
157.10120	1.5
159.11723	8.5
161.13203	2.3
163.06042	4.7
167.10672	14.3
170.38860	1.2
171.11691	1.6
171.56935	1.2
173.13226	2.9
177.05496	1.7
177.16338	2.0
183.11734	1.5
187.14812	20.2
205.15878	14.2
206.71936	1.4
217.08583	5.3
241.14319	100.0
257.18991	5.4
259.15359	11.0
275.19894	1.1
292.09714	1.3
297.20621	24.1
319.08191	4.7
320.09222	5.1
321.09897	1.5
330.86285	1.3
334.10687	17.3
336.12259	9.9
337.12714	1.7
338.13766	2.6
349.23676	24.0
350.10080	1.8
367.24829	2.6
387.21524	1.4
403.19473	6.5
441.24747	4.6
511.28632	4.8
547.26099	1.4
726.25696	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.3
56.86964	3.1
57.03438	8.4
61.02925	7.9
67.05504	46.3
67.66785	3.6
69.07039	5.7
71.05010	3.6
73.02917	3.6
79.05484	18.6
81.03427	4.4
81.07053	52.3
83.08631	8.5
85.02885	21.4
91.03961	14.5
91.05489	25.2
93.07038	46.8
95.08604	24.9
97.02854	7.3
97.06531	9.4
97.10143	5.1
105.07036	15.7
107.08614	32.0
107.99694	3.6
109.10154	20.8
117.07026	6.7
117.53231	3.5
119.08578	8.5
121.10155	17.4
125.09636	5.0
127.03912	5.4
127.09220	3.8
131.08511	12.8
133.10147	25.9
135.08138	4.8
135.11644	27.2
145.04926	4.9
145.10126	15.2
149.13257	22.1
155.10611	4.8
159.11700	25.7
163.11142	8.0
172.16306	4.0
173.11760	4.1
177.12726	17.5
182.36307	3.7
195.13866	5.0
229.14310	26.6
252.85553	4.5
255.15932	27.9
269.17496	100.0
275.20010	6.7
320.09070	16.7
322.10480	4.3
331.22214	4.4
334.10577	5.9
336.12262	19.0
349.23749	54.4
367.24753	17.7
414.33084	4.2
511.29086	5.6
636.44196	5.0
726.27167	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56610	1.0
52.77479	1.1
55.05525	11.2
57.03434	2.5
57.07083	12.7
61.02931	11.9
64.67973	1.2
67.05506	20.4
69.03420	2.1
69.07067	26.6
71.08641	9.9
71.08963	1.1
73.02917	6.7
77.99837	1.3
79.05485	5.5
81.07064	27.4
83.08622	30.3
85.02911	19.1
85.06543	1.7
85.10184	5.4
86.90615	1.1
91.03941	21.2
93.07038	8.0
95.08600	33.6
97.02894	11.0
97.06532	4.7
97.10168	28.2
99.08089	1.6
107.08560	9.2
109.10155	21.8
111.08061	2.8
111.11713	13.6
113.09604	1.4
121.10149	26.9
123.11721	9.9
127.03928	8.0
134.56610	1.3
135.11687	23.8
137.13264	2.9
139.11197	1.8
145.04980	6.6
149.13252	15.1
163.06020	12.7
163.14825	5.4
177.16423	1.5
191.17992	2.0
193.19518	1.4
194.40468	1.1
247.74696	1.5
275.27347	18.3
293.28375	37.6
311.29477	3.1
320.08875	2.2
325.11191	1.5
367.32053	70.5
385.33109	100.0
437.77374	1.4
473.92627	1.5
529.36743	1.6
604.58960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.2
59.69739	0.2
64.60877	0.1
68.23768	0.1
71.04971	0.6
73.81347	0.2
85.02867	1.1
91.38925	0.2
95.03649	0.2
105.41081	0.2
121.02850	0.2
121.84656	0.2
123.52182	0.2
127.56073	0.2
137.02339	0.4
158.76297	0.2
221.80331	0.2
287.05478	100.0
297.07501	0.3
339.47592	0.2
340.28564	0.2
361.95932	0.2
428.09671	0.2
484.17993	0.2
581.15472	0.4
600.12646	0.2
689.24689	0.2
727.20734	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2073
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.75508	0.2
71.04954	1.0
85.02875	1.1
115.73466	0.2
126.69167	0.2
138.01489	0.2
138.70905	0.2
163.00256	0.2
168.63661	0.2
169.12357	0.2
287.05478	100.0
319.33255	0.2
331.43732	0.2
422.33197	0.2
439.79324	0.2
581.14880	0.4
727.20673	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.2
65.39141	0.2
70.06583	0.3
93.74007	0.3
109.82092	0.3
119.46485	0.3
119.65330	0.3
127.11110	0.2
167.32741	0.2
171.93245	0.2
199.79637	0.3
224.07005	2.8
225.07820	1.0
257.06757	1.8
263.65698	0.3
269.06973	0.3
284.09106	4.8
294.25711	0.3
296.05539	30.4
301.05756	0.4
312.08615	5.8
315.05020	1.3
316.05292	1.3
324.04935	1.4
328.08087	2.5
343.17758	0.3
356.07623	100.0
371.76224	0.3
524.00366	0.3
528.36511	0.3
727.27136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57817	0.4
53.39070	0.2
54.80377	0.3
59.28227	0.3
80.43232	0.3
115.05379	0.3
118.06520	2.2
132.08098	1.7
144.08086	5.2
146.06012	35.3
159.09149	5.3
170.05971	1.6
188.07071	100.0
205.09729	34.4
207.02829	1.3
243.44383	0.4
265.08646	0.5
342.16443	0.4
348.80493	0.5
356.23108	0.4
455.63684	0.4
727.26074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00462	0.6
58.06598	7.6
71.50319	0.8
73.49242	0.7
89.57755	0.9
103.53532	1.0
105.07056	1.1
107.06290	1.0
109.01142	1.0
109.75268	0.9
130.65800	1.0
133.06483	1.8
148.05119	0.9
159.07970	1.8
161.05942	6.1
166.06252	9.1
171.08075	1.5
175.07484	3.6
181.08589	48.4
187.07631	1.0
190.06258	11.0
191.07124	1.6
199.07539	24.7
205.08603	36.1
261.08920	1.3
273.09082	1.0
275.10623	4.0
276.11563	1.0
277.08615	1.4
289.08566	3.7
291.10022	1.4
293.11557	1.0
294.08609	1.2
299.07364	8.1
303.10052	2.0
304.10880	10.4
305.08124	3.4
305.11652	12.1
307.13126	1.8
309.11121	3.5
320.10193	4.3
321.11267	17.3
334.10687	1.0
335.12860	7.0
336.13559	46.1
337.10684	3.9
352.13004	2.0
367.15231	5.9
442.05212	0.9
451.17172	3.6
482.48605	0.9
727.25079	100.0
738.00677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84768	0.3
70.81456	0.4
74.66891	0.4
83.59682	0.4
90.36944	0.4
93.25059	0.4
117.57488	0.4
124.52013	0.4
160.03960	1.3
165.05472	6.8
178.04993	21.5
178.06529	0.9
206.04482	2.1
263.05972	0.5
278.08145	2.2
280.06070	0.4
280.09872	0.4
281.06851	0.8
291.05310	0.7
292.06094	0.7
306.07538	4.6
308.05573	3.1
309.06238	0.9
312.11270	0.4
314.65991	0.4
319.04752	1.6
334.07230	4.6
335.07755	0.5
337.05786	5.6
352.08151	100.0
370.09219	45.1
710.20068	0.5
728.21545	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92031	0.5
89.02106	0.5
107.51643	0.4
120.17812	0.5
181.60519	0.6
199.68936	0.5
202.27928	0.5
250.08505	1.0
279.08917	6.0
280.09680	0.7
290.08008	1.0
294.11227	100.0
304.06097	0.6
307.08423	1.0
307.11880	0.6
308.09271	0.7
308.12851	1.0
318.07568	2.0
319.08368	4.3
320.09082	1.7
322.10745	33.3
323.11676	4.8
324.12289	0.7
334.10699	8.1
335.11176	0.7
335.37463	0.5
336.12155	2.6
488.17114	0.7
500.17221	0.8
512.16693	3.5
516.16754	1.1
530.18115	4.8
532.20062	1.0
544.19489	4.6
622.92511	0.5
656.01447	0.7
728.27002	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	1.2
82.30887	0.5
91.35818	0.5
92.26105	0.5
137.05858	0.8
158.12318	0.4
263.07129	0.6
278.08002	2.5
279.08859	2.4
281.08063	3.6
290.07974	0.8
294.11218	78.6
295.11646	1.0
296.10284	4.1
304.06125	0.7
306.07693	0.9
318.07571	1.0
319.08298	4.2
320.09085	4.0
320.12601	0.9
321.09482	2.2
322.10715	100.0
323.11407	7.1
324.11902	2.6
334.10715	11.1
335.11057	1.0
336.12247	1.2
338.13519	0.8
512.17578	0.6
530.18048	0.9
532.19806	0.8
544.19885	1.1
728.27020	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96817	0.5
55.43737	0.6
58.26100	0.6
72.90434	0.5
74.39842	0.6
80.14434	0.5
91.66805	0.6
92.21007	0.7
116.33104	0.5
140.55823	0.7
142.11404	0.6
166.83640	0.6
278.08099	2.8
279.09103	1.0
285.14493	0.6
294.11221	78.8
307.08630	1.0
307.12265	2.3
308.12854	3.1
320.12769	5.7
321.09787	0.7
322.10712	100.0
323.11502	15.2
334.10678	1.1
336.08630	0.7
336.12094	4.0
337.12988	3.9
352.15442	7.9
466.16232	1.0
498.15488	0.7
512.17053	1.3
532.46594	0.6
540.53076	0.6
650.39819	0.6
728.26990	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75969	0.3
60.18525	0.4
67.95583	0.4
75.06432	0.4
78.53857	0.4
78.96609	0.5
116.11328	0.4
119.04903	0.4
137.05972	0.7
150.56895	0.5
186.90715	0.4
191.06940	0.6
205.04707	0.7
250.08656	0.7
262.00055	0.5
278.08136	2.5
279.08926	3.9
279.11572	0.4
292.09833	0.6
294.11227	100.0
299.97556	0.5
308.09250	0.6
308.12857	1.7
319.08273	0.7
320.09122	2.5
321.09604	2.1
322.10715	52.9
323.08020	0.7
323.11447	4.2
324.12354	0.9
334.10663	2.3
336.12207	3.8
337.12564	2.6
338.13678	3.2
339.14713	0.6
340.15329	1.1
368.25842	0.4
417.90753	0.5
484.17773	0.6
500.17477	0.5
512.17072	3.1
516.16663	0.8
530.18365	3.8
544.19568	2.4
566.16693	2.3
698.23590	0.7
728.27026	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33087	0.3
71.61066	0.3
86.30852	0.3
92.21608	0.7
100.32910	0.3
147.36636	0.4
200.76956	0.4
203.10890	0.4
207.06519	0.5
222.46049	0.4
227.27560	0.4
244.92799	0.4
250.08560	0.4
268.98102	0.3
271.63037	0.4
278.08093	2.0
279.08798	2.9
290.08075	0.6
294.11227	80.2
304.06088	0.5
306.07663	0.7
307.08334	1.5
307.12012	2.0
308.09335	1.2
308.12857	1.5
318.07541	0.8
319.08356	3.4
320.09033	2.0
320.12796	4.7
321.09586	0.8
322.10721	100.0
323.11490	15.4
324.12216	1.6
334.10706	7.3
335.07660	1.4
336.12292	1.6
350.10239	5.0
482.15771	0.6
484.17520	0.6
498.15997	0.7
500.16620	0.6
512.16937	2.3
514.18378	0.8
530.17993	1.4
728.26953	77.2
750.90747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	1.2
82.30887	0.5
91.35818	0.5
92.26105	0.5
137.05858	0.8
158.12318	0.4
263.07129	0.6
278.08002	2.5
279.08859	2.4
281.08063	3.6
290.07974	0.8
294.11218	78.6
295.11646	1.0
296.10284	4.1
304.06125	0.7
306.07693	0.9
318.07571	1.0
319.08298	4.2
320.09085	4.0
320.12601	0.9
321.09482	2.2
322.10715	100.0
323.11407	7.1
324.11902	2.6
334.10715	11.1
335.11057	1.0
336.12247	1.2
338.13519	0.8
512.17578	0.6
530.18048	0.9
532.19806	0.8
544.19885	1.1
728.27020	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41553	0.4
74.60369	0.4
84.24627	0.5
85.02862	0.8
88.96442	0.4
89.74770	0.4
90.50994	0.4
92.20943	1.0
101.26697	0.4
104.47923	0.4
191.06990	2.4
205.04944	3.5
206.98680	0.6
207.06546	0.7
223.05978	2.6
261.11157	0.5
273.08029	0.6
278.08044	2.7
279.09009	5.4
279.73965	0.5
290.08093	0.9
294.11218	100.0
304.06168	0.7
306.07397	0.6
307.08331	1.0
307.12021	2.0
308.12796	1.1
312.54193	0.5
318.07751	1.1
319.08469	3.8
320.09247	0.7
320.12823	0.9
322.10721	65.7
323.11542	7.5
334.10727	4.6
335.11270	1.0
336.12128	0.7
397.13187	0.7
500.16830	0.7
512.17096	3.0
516.16486	1.0
517.17395	0.6
530.17932	3.3
544.19623	3.7
558.20831	0.5
728.26978	82.9
739.43182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59560	0.9
63.18316	0.8
67.05521	2.3
69.03442	4.0
70.86378	0.7
71.05007	1.6
79.80198	0.8
81.03434	2.0
81.07063	1.3
83.05002	4.0
85.02900	8.8
85.06557	4.3
91.05488	5.1
95.04975	1.6
97.02883	7.0
97.06551	1.2
97.51686	0.9
99.26855	1.0
99.50218	1.1
107.04971	1.2
108.87817	0.9
109.02927	1.7
113.05893	1.1
119.04929	10.5
121.06468	1.0
127.03951	1.4
135.04443	1.7
136.05240	0.8
137.06068	1.0
139.07558	1.9
145.02895	6.1
147.04393	15.1
149.06010	1.9
151.07600	6.0
161.05956	1.7
162.03131	1.6
163.03979	5.9
163.07593	1.7
166.06270	4.1
167.07060	5.6
169.08618	1.1
175.03893	44.5
177.05484	10.6
178.06227	17.1
179.07080	5.2
180.07883	1.0
181.08571	18.9
191.03375	11.8
191.07085	5.0
192.07758	7.3
193.08691	3.8
194.09465	4.3
195.06572	2.3
195.10258	4.2
196.07442	1.7
197.76816	0.9
202.09837	0.9
204.07964	1.2
205.04927	24.9
206.09564	1.1
207.06514	78.3
207.10182	4.8
209.08057	11.2
211.09711	4.5
219.10236	1.9
221.08142	1.2
223.06017	53.7
223.09738	4.3
228.11699	1.0
231.10368	1.0
233.08191	1.0
235.09727	2.3
247.09677	1.5
259.09610	1.0
259.13397	1.4
261.11200	1.5
277.14456	5.2
278.08481	1.5
294.11237	79.3
304.06195	1.6
307.08575	1.5
307.11810	9.9
310.08945	1.0
318.07596	2.1
319.08417	9.6
320.09299	13.8
320.12927	4.1
322.10706	100.0
323.11584	17.6
324.12320	2.2
334.10690	17.3
336.12503	3.2
338.13867	1.1
351.12415	1.5
352.12814	3.7
355.13867	11.8
363.23779	1.0
367.13730	1.2
399.14270	11.1
411.14807	1.5
457.20242	1.2
467.15384	1.3
469.17191	1.5
501.21286	16.8
514.19104	1.1
531.23029	1.1
561.19250	1.3
663.26349	2.0
728.27002	73.5
728.75122	1.3
729.14557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06984	0.8
73.57021	0.7
79.60637	0.9
89.18118	0.8
134.91849	0.8
167.06992	0.9
192.36716	0.8
306.58109	0.9
319.08429	1.0
320.09085	4.3
321.09955	1.0
334.10785	4.3
336.12329	5.2
351.25095	3.6
356.99313	0.9
362.10135	6.0
362.13919	2.8
363.11050	6.8
369.26193	1.0
376.11850	8.1
377.12491	3.4
446.23346	3.7
456.21649	10.0
458.23260	4.3
459.20526	1.4
474.22745	43.4
484.20953	1.4
502.22278	100.0
505.20798	2.1
506.17911	0.9
520.23364	9.6
530.21637	1.6
548.22559	2.1
655.72272	1.0
664.27234	3.3
682.28625	49.5
692.26941	7.8
710.28088	19.6
728.27466	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	6.9
73.02911	1.7
81.03424	4.3
81.07022	1.5
83.04979	20.4
85.02912	14.0
85.06538	2.5
85.17068	1.6
89.48898	1.9
91.05468	3.2
97.02913	7.1
99.04453	6.5
105.07063	3.1
107.04929	2.4
109.02898	4.1
119.04943	11.9
127.03966	3.1
133.06491	3.2
145.02815	7.7
146.33842	1.8
147.04381	16.0
149.05994	4.4
155.07028	9.9
161.05933	4.1
162.03040	3.1
163.03893	3.7
166.06277	8.3
167.07027	29.5
171.08014	2.3
175.03902	56.2
177.05475	26.2
178.06262	4.4
179.07028	6.6
181.04965	2.6
181.08574	24.5
190.02548	2.8
191.07010	16.8
192.07788	2.4
193.05124	1.8
193.08588	4.4
196.11049	2.3
199.07581	1.8
201.09018	2.7
204.61760	1.8
205.04955	79.2
206.09447	2.4
207.06509	100.0
209.08055	21.4
217.04776	2.1
217.08536	2.6
219.06523	24.2
219.10100	3.1
221.08058	27.9
223.05943	12.3
224.10446	7.4
229.08585	3.5
231.10178	9.0
243.10092	7.8
245.11757	2.8
261.07437	3.6
261.11234	14.8
277.10977	1.8
289.10727	12.1
307.11966	14.7
319.08841	3.4
320.09595	1.8
334.10635	3.3
338.13898	1.9
351.12268	2.3
367.11874	2.8
369.11847	2.8
371.14880	4.1
379.11847	3.9
397.12854	26.7
399.14413	8.7
411.14423	2.4
429.15442	17.4
451.15945	2.3
467.20258	2.3
469.17068	3.7
529.16925	2.7
530.17297	4.2
578.57098	1.9
661.24725	3.5
728.26404	22.6
729.71161	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09246	2.0
62.52914	2.3
67.05508	13.9
69.03416	4.5
83.04949	3.4
85.02897	11.0
85.06546	4.5
91.05474	4.3
97.02906	6.2
105.07048	2.9
109.01605	3.0
109.02879	3.7
119.04945	5.3
133.06506	10.7
140.04657	5.7
145.02844	4.7
147.04399	5.3
149.05945	3.7
151.07574	4.2
153.05513	2.5
155.07025	16.3
161.05923	25.6
166.06123	4.5
167.07031	26.0
171.07936	3.0
175.03923	32.9
175.07529	2.6
177.05432	30.4
178.06218	10.5
179.07062	20.6
181.08591	16.6
183.07951	2.5
190.02620	4.3
191.07021	16.7
192.07912	4.1
193.08636	13.0
195.06500	5.1
201.09038	4.8
205.04948	100.0
205.66470	2.9
206.09421	4.8
207.06525	83.0
209.08070	5.5
217.08531	3.6
219.06502	3.8
219.10146	3.1
223.06033	33.9
224.10480	5.3
233.08128	3.1
261.07672	2.6
261.11252	12.4
291.12228	5.4
307.11780	28.3
311.28107	3.0
319.08447	10.9
320.09164	5.0
322.10864	4.0
334.10773	18.1
350.10202	3.3
352.15399	5.0
397.12857	6.1
399.14413	33.7
411.14529	3.3
419.13434	3.3
427.81888	2.8
429.15491	5.0
468.92969	2.7
469.16809	17.3
501.21109	5.1
728.22760	4.4
734.46655	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00081	0.5
52.72147	0.6
55.05517	0.6
57.03439	0.7
57.07092	0.6
65.03989	0.7
65.04428	0.7
67.05512	4.1
69.03433	7.1
71.04989	2.7
79.05509	1.7
81.03425	2.7
81.07078	0.9
83.04982	6.1
83.97746	0.6
85.02904	8.5
85.06541	7.3
91.05473	6.6
93.07027	0.7
95.04980	1.6
97.02905	6.4
97.06539	1.0
99.04500	3.1
105.07024	1.3
107.04961	1.6
109.02902	1.4
109.06525	2.8
112.40400	0.7
113.05997	1.4
117.03377	2.4
119.04932	17.2
121.06532	2.8
123.04395	0.8
125.06007	1.1
125.50529	0.7
127.03951	2.5
133.06543	2.6
135.04468	4.2
139.07605	2.6
145.02829	7.8
145.04956	0.7
145.06537	1.2
147.04417	17.5
147.05577	0.8
147.07948	0.8
149.06010	4.0
151.07561	5.3
155.07013	1.5
157.04071	1.0
161.06007	3.7
162.03026	1.0
163.03868	10.0
166.06279	5.0
167.07086	4.3
169.08582	3.2
175.03896	51.0
175.07492	1.4
177.05464	15.1
178.06223	18.5
178.07645	1.1
179.06999	10.1
180.04182	0.8
181.05051	0.9
181.08582	24.8
181.10033	1.3
188.08429	1.2
191.03384	15.3
191.07082	4.4
192.04211	1.1
192.07809	7.6
193.05048	0.8
193.08630	5.6
194.09404	4.7
195.06438	5.5
195.10133	4.7
196.07410	0.9
202.09952	0.9
203.10837	0.7
204.07907	1.3
205.04967	31.9
205.08720	1.1
206.09514	2.7
207.06516	100.0
207.10274	6.6
209.04567	1.2
209.08054	13.9
209.09691	0.7
211.09616	7.4
217.08511	2.3
219.06689	0.7
219.10274	2.7
221.08058	5.7
223.06007	75.9
223.09717	5.9
229.11087	0.8
231.10120	1.0
233.08038	1.1
233.11713	1.3
235.09740	3.3
241.10803	0.8
245.08131	1.6
247.09593	1.3
247.13614	1.1
259.09909	1.2
259.13358	1.3
261.11203	0.8
265.10822	0.9
273.11264	1.0
275.09314	1.0
277.11270	0.7
277.14496	4.5
279.12323	0.8
289.14572	0.9
291.12369	1.2
294.11237	31.7
307.08627	1.0
307.11884	9.1
307.15146	1.0
309.13510	1.4
319.08661	1.4
320.09387	3.6
320.13062	1.0
322.10718	42.5
323.11423	5.7
334.10608	6.0
336.12448	2.9
337.13089	2.9
352.15610	1.3
355.13852	15.0
359.15018	1.2
367.14218	2.5
385.15182	3.2
399.14352	20.1
411.14493	1.2
437.14410	1.1
469.16342	1.9
501.21210	23.5
531.21991	0.8
561.19305	1.1
663.27039	3.6
693.27673	2.9
728.26971	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	2.4
68.29331	2.3
69.03436	6.2
70.21147	2.7
74.59162	2.5
79.05496	2.9
80.43919	2.8
81.03408	4.9
85.02914	26.3
85.06593	3.8
87.04479	3.1
87.09635	2.4
91.05489	5.0
97.02893	14.1
99.04436	5.1
99.25735	2.4
107.04936	3.8
109.02874	2.8
119.04956	6.0
121.06506	3.5
123.04441	11.6
127.03899	6.0
132.74002	2.5
135.04410	3.7
137.05934	3.5
145.02855	14.8
145.04910	3.5
145.73592	2.5
147.04428	16.3
148.28517	2.7
149.05952	6.7
151.07549	3.6
153.05470	3.2
155.07071	5.2
159.07986	3.5
162.03139	3.7
163.03925	18.7
164.12169	2.8
166.06190	3.0
167.07014	35.3
175.03908	43.6
175.07571	4.1
177.05481	31.6
178.06215	5.3
179.07016	15.6
180.04233	3.7
180.07678	2.9
181.04916	3.8
181.08524	21.3
183.06473	5.9
187.07579	3.5
189.09166	3.5
191.03438	3.3
191.07042	35.7
192.07686	3.9
193.08551	5.3
194.09465	10.7
195.06540	12.3
196.10901	3.8
201.09082	5.1
205.04976	100.0
205.08624	4.7
206.09380	11.4
207.06512	86.7
207.09908	3.5
209.08049	11.0
219.06541	6.4
219.10167	10.8
223.06029	68.3
223.09560	5.1
224.10439	17.6
225.07484	6.6
229.08577	4.7
229.10640	3.2
231.10207	3.5
233.11720	5.4
243.10120	3.5
245.11771	5.4
259.09760	4.7
261.11191	5.7
273.11252	5.3
277.10736	10.6
279.12344	4.2
289.10718	5.7
294.11292	37.4
307.11722	29.3
319.08395	13.3
320.09146	5.4
322.10806	22.8
334.10873	26.2
348.12469	3.8
397.13074	23.0
398.12897	5.0
399.14224	14.6
411.14185	4.7
415.13745	11.1
429.15527	10.6
441.21674	3.2
455.52118	3.4
456.45090	3.0
469.16968	30.4
499.19308	4.2
530.17682	3.8
593.09131	4.2
728.26764	34.3
758.36200	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41529	2.7
59.29668	3.5
64.32879	3.1
67.05526	4.4
69.03436	3.8
81.03442	3.8
82.80472	3.1
85.02913	27.0
91.05473	7.6
94.26599	3.5
95.04972	4.6
97.02868	8.2
109.02885	4.9
119.04920	8.2
121.06499	6.1
123.04416	14.1
131.04916	5.5
135.04424	4.7
145.02859	4.3
145.06435	3.8
147.04424	7.4
149.06001	6.2
151.07631	4.9
153.05473	4.2
155.07022	6.2
163.03903	15.7
167.07019	32.7
175.03932	31.5
175.07597	5.4
177.05414	29.7
179.07011	17.2
181.08565	25.7
181.61914	3.7
183.06482	14.7
187.07561	4.3
191.07030	64.6
192.07809	5.3
195.06567	6.6
196.11116	5.5
201.09044	6.2
205.04959	100.0
205.08644	7.0
206.09422	19.7
207.06487	49.4
209.08214	5.0
219.06470	8.8
219.10129	5.9
221.08041	6.4
223.06021	64.9
223.09616	6.6
224.10454	19.6
229.08554	5.6
233.11713	7.3
259.09583	5.4
261.11249	14.2
263.77002	3.6
277.10767	17.7
289.10715	13.1
294.11163	52.4
307.11917	41.4
319.08429	7.2
320.09113	6.0
322.10764	46.9
323.11743	7.1
334.10742	17.7
397.12729	21.7
399.14392	13.9
411.14398	5.6
415.13510	5.5
429.14905	4.4
469.17111	29.0
499.19287	4.5
661.24945	5.0
728.27417	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26185	4.0
54.50763	4.6
58.06607	4.2
59.15114	4.9
67.05504	28.1
70.85694	4.5
71.08608	4.9
71.20413	6.0
75.10445	4.8
79.44203	4.7
81.07053	12.6
88.20071	4.9
97.02883	5.3
109.10151	57.1
119.08614	6.5
126.32881	7.5
155.10674	8.4
173.11728	33.2
212.56076	5.6
229.14360	100.0
277.21582	5.8
308.57059	6.3
312.87659	5.5
320.09091	30.5
324.00360	5.6
334.05771	6.2
334.10229	7.9
336.12396	28.6
351.25314	11.6
369.26413	10.2
728.32074	7.9
728.44360	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05287	1.2
55.05510	10.8
56.78020	0.8
57.03440	12.8
57.07076	5.4
59.04977	1.5
61.02932	20.5
67.05508	63.4
69.03416	7.5
69.07070	11.8
71.05005	1.5
71.08616	4.7
73.02927	7.3
75.48789	1.0
79.05488	23.4
81.03421	9.4
81.07061	46.0
83.04977	7.1
83.08611	8.2
85.02911	34.0
85.03400	1.5
85.06533	4.7
85.10201	1.2
91.03950	22.9
91.05477	17.4
93.07039	35.0
95.04961	7.0
95.08603	47.8
97.02888	16.8
97.06550	2.0
97.10162	6.3
99.04445	5.0
99.08084	6.3
103.03949	4.5
105.07032	13.4
107.04928	1.7
107.08590	23.4
109.02887	2.2
109.06521	2.5
109.10152	67.1
111.04434	1.7
111.08067	5.9
113.09690	1.8
115.68024	1.0
117.07006	6.0
119.08582	15.7
121.06518	1.4
121.10136	28.4
123.11671	10.6
125.09631	4.7
127.03948	9.1
129.05518	2.6
129.06876	1.2
129.31229	1.1
131.08560	15.3
133.10118	13.5
135.11676	21.2
137.09630	2.0
137.13321	3.7
143.08585	1.2
145.04994	8.3
145.10109	10.8
147.11652	10.3
149.09657	1.9
149.13261	19.2
151.11157	1.8
151.14830	2.1
153.12642	1.3
155.10658	4.8
159.11691	13.7
161.13258	11.7
162.45836	1.0
163.05974	7.4
163.11136	1.3
163.14752	14.2
165.12773	1.4
167.10611	1.6
171.11620	1.3
173.11723	13.1
173.13251	10.6
175.14804	6.0
177.12758	4.2
177.16403	7.0
181.21130	1.1
187.14821	5.2
191.14380	2.1
201.16293	1.4
215.12784	6.7
229.14333	100.0
233.22607	2.3
241.14137	3.7
243.21007	20.6
245.13939	1.2
256.79401	1.1
259.20419	2.2
261.22131	39.4
277.21619	9.6
285.16879	4.1
320.09149	1.7
335.25772	4.1
336.12265	8.2
351.25266	16.8
353.26843	73.2
369.26419	1.8
373.18466	2.4
443.27658	1.4
479.29880	1.5
497.31097	7.0
728.34241	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18201	1.7
55.05516	8.2
57.03434	4.2
58.78476	1.9
59.05413	1.8
61.02935	4.6
63.89083	1.8
67.05514	35.0
67.84351	2.0
69.03419	3.3
69.07079	10.0
71.04971	2.5
71.08630	11.0
73.02936	2.0
79.05489	9.5
81.03410	3.6
81.07063	35.2
83.04987	2.9
83.08620	13.9
85.02902	15.2
91.03946	9.5
91.05478	11.3
93.07043	32.0
93.50748	2.0
95.04930	4.1
95.08610	17.7
97.02890	4.8
97.06509	3.8
97.10187	3.7
99.04439	2.8
99.08102	11.8
105.07012	4.7
107.08617	15.4
109.10154	16.3
111.08072	4.8
117.07083	7.7
119.08576	4.7
121.10144	12.8
125.09605	3.0
127.03877	4.4
131.08475	2.8
133.10147	10.3
135.11668	8.5
135.47328	1.9
142.61081	2.1
142.79553	2.4
145.04970	2.1
147.11684	4.6
149.13263	30.5
151.11171	8.2
157.12267	2.4
159.11691	18.5
161.13240	8.7
173.11693	9.4
177.12727	17.9
179.14294	5.0
195.13782	3.8
227.12761	2.9
229.14244	16.6
269.17468	100.0
277.21548	4.9
286.26395	2.2
320.08990	3.6
336.12079	2.2
351.25259	39.7
355.95538	2.7
369.26410	9.3
369.83960	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	7.7
57.03447	4.6
57.07054	2.7
61.02932	23.3
61.62607	2.9
63.24409	2.8
65.03912	3.6
67.05513	63.6
68.17842	2.9
69.03427	7.0
69.07092	13.5
71.05026	5.7
71.08622	4.5
71.84691	2.7
73.02925	4.9
75.84100	2.9
79.05515	28.5
80.07000	2.7
81.03448	6.2
81.07069	58.1
83.05019	4.0
83.08635	7.2
85.02930	27.9
85.10204	3.8
89.16742	2.9
91.03952	19.3
91.05476	14.9
93.07049	44.7
95.04961	5.0
95.08605	49.0
97.02900	19.4
97.06522	4.1
99.08136	3.5
105.07053	16.8
107.08609	31.7
109.10165	70.8
117.07020	5.3
119.08601	12.0
119.51646	3.5
121.06610	3.1
121.10137	22.6
123.11726	15.2
125.09673	3.4
127.03931	5.7
131.08580	16.6
133.10124	7.0
135.11707	26.4
137.09656	5.0
145.04915	7.5
145.10141	5.1
147.11650	6.5
149.13261	23.3
155.10661	4.4
159.11705	12.1
161.13295	12.2
163.05983	4.4
163.14899	13.5
173.11740	17.7
173.13263	13.3
177.16438	6.0
187.14856	11.7
219.16991	4.0
229.14368	100.0
236.22681	3.5
243.21071	22.2
245.22272	3.4
261.22113	37.4
277.21683	4.2
334.10794	7.0
336.12277	20.9
351.25360	14.8
353.26938	73.3
497.30917	13.2
725.38007	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06816	3.0
57.07080	41.3
60.03328	1.6
61.02934	13.6
61.62057	1.6
67.05511	14.9
68.02663	1.8
69.03416	1.8
69.07066	10.4
71.08641	46.2
72.69182	1.4
73.02915	1.6
75.04454	1.8
79.17213	1.7
81.07066	23.4
83.08643	15.4
84.73807	1.6
85.02911	19.7
85.10181	24.5
89.55343	1.8
91.03954	13.1
95.08609	37.8
97.02894	6.7
97.10157	15.9
99.11726	2.4
103.08645	2.1
109.10151	16.4
111.11708	7.6
123.11729	14.1
127.03941	4.3
129.43251	1.8
137.13281	3.6
145.04982	8.7
151.66731	1.8
163.06024	8.4
173.71037	1.7
277.29407	1.8
295.29926	6.8
313.31183	2.4
320.09216	3.3
334.10620	6.6
336.12451	2.1
369.33627	66.0
384.04874	2.0
387.34674	100.0
452.01776	2.0
513.85748	2.2
728.36389	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
57.07066	3.9
60.62241	2.8
63.89556	3.2
67.05495	16.4
69.03432	3.8
69.07056	15.9
71.04638	3.0
71.04999	26.7
71.08607	3.0
73.02921	7.5
73.06536	3.5
79.05492	18.3
81.03402	7.9
81.07071	58.4
83.08629	6.1
87.09282	3.9
91.05481	6.3
93.07048	30.5
95.08611	16.1
97.02863	3.6
97.10168	3.8
99.04453	75.5
105.07041	4.1
107.08575	26.1
109.10136	13.4
119.08588	3.7
123.11680	5.0
131.08492	3.4
135.11705	56.1
145.10146	5.6
153.12730	100.0
243.08629	6.4
244.34058	3.3
290.27005	3.6
320.09125	5.0
334.10782	5.6
371.25705	7.2
389.26596	6.8
407.28006	6.5
469.29248	14.4
487.30389	22.2
505.31589	25.1
692.94550	4.4
728.32111	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5667
Annotation	Cerebroside B
Peak:m/z	Relative Intensity
53.49928	1.5
54.70693	1.5
55.05505	3.7
56.05040	10.6
57.07082	3.9
58.06601	1.5
60.04530	4.6
67.05502	10.2
69.07079	18.3
71.08620	2.7
79.05498	15.4
81.07055	9.7
82.06555	3.8
83.08628	11.2
86.06117	1.8
91.05465	4.1
93.07040	9.0
94.06569	8.4
95.08604	12.8
96.08134	20.2
97.10175	11.5
97.62376	2.2
105.07016	9.1
107.08576	4.4
108.08108	12.9
108.08762	1.9
109.10163	4.5
111.11708	4.1
119.08588	11.1
121.10185	3.5
122.09709	3.0
133.10138	9.5
135.11691	6.9
147.11650	4.6
149.13216	2.7
259.24271	10.8
272.25967	3.5
276.26855	100.0
294.28000	3.8
320.09125	7.9
368.31631	4.4
427.28070	2.1
469.24750	2.0
530.49414	29.1
532.50470	2.3
548.50354	38.0
590.21979	10.3
599.51160	2.6
710.55511	48.0
728.35480	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	51.4
59.69399	8.6
64.82255	8.4
66.58559	8.7
71.08616	39.0
85.10194	22.1
89.06019	100.0
91.04522	9.7
130.23405	10.0
133.08571	21.3
141.58093	10.7
163.85861	10.7
320.09219	67.1
334.10831	23.9
336.12195	16.9
433.01840	12.5
504.68167	11.6
711.56561	34.9
728.36938	60.3
728.58203	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33378	0.7
67.05489	0.8
69.07059	0.7
72.72318	1.1
81.07096	1.0
86.44650	0.9
92.20739	0.8
93.07047	1.1
172.03995	1.8
174.05502	13.7
174.06673	0.9
185.23842	0.9
189.55397	0.8
190.04987	33.8
193.05139	0.8
202.85008	0.8
220.76852	1.0
230.14787	1.2
292.06436	1.0
304.06046	1.1
306.07568	1.7
320.05505	3.3
320.09146	3.5
321.09616	1.4
334.07166	9.0
334.10742	1.5
335.07849	1.8
336.08755	3.8
348.72034	1.0
354.27551	1.2
364.08215	1.3
424.08432	1.1
486.56250	1.0
639.13312	1.1
655.13483	1.1
671.12714	3.3
699.12579	6.9
729.17053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97969	3.7
119.04921	5.6
131.04883	6.6
137.05978	25.1
139.66090	3.8
144.01794	4.2
147.04396	16.9
151.07597	6.8
163.07536	36.4
167.06969	4.2
175.03893	40.6
177.09111	100.0
207.06493	58.4
221.11720	20.6
319.08212	6.5
320.09122	20.9
334.10663	7.4
336.12189	7.1
428.53961	4.6
611.81268	5.2
729.26477	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44503	0.5
56.77780	0.4
69.03424	1.0
81.03411	3.0
85.02900	1.9
85.42569	0.4
91.05504	5.2
97.93256	0.5
119.04939	15.9
131.04927	1.9
133.06432	0.5
137.05974	6.7
143.04918	1.9
147.04402	23.6
151.07539	2.3
157.03966	2.5
157.06497	0.5
159.08112	0.6
161.05949	1.3
163.07498	1.2
164.88393	0.6
167.07011	3.1
174.06744	0.6
175.03899	73.4
175.07359	4.2
177.05444	1.0
179.07011	1.1
181.04895	0.7
187.07484	2.2
189.05473	0.7
189.09042	4.4
191.07018	2.0
192.04176	0.7
201.09019	0.6
203.07092	0.6
207.06523	100.0
219.10172	11.6
225.07570	0.7
231.06453	2.0
307.09586	0.8
320.09103	1.0
325.14230	0.9
337.10944	0.5
339.12186	0.6
343.15271	0.5
351.10843	0.9
367.11719	0.7
369.11847	10.0
385.12616	1.9
413.15921	2.3
425.16055	0.9
729.24438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29370	2.5
66.18246	2.7
100.68181	2.9
107.78735	2.9
124.51994	2.9
135.33582	2.5
148.55327	3.2
161.56696	2.6
162.99969	3.0
187.93547	3.2
194.70590	3.7
240.60141	4.0
292.09579	4.0
320.09134	17.2
321.09851	26.9
336.12296	100.0
426.59494	3.1
671.47943	3.2
729.41016	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.214
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22027	0.3
70.89999	0.3
81.03399	0.4
83.34966	0.3
83.37070	0.3
85.02876	2.0
87.23979	0.3
91.05481	0.4
96.04408	0.4
97.02872	0.6
118.39792	0.3
145.02782	0.5
147.04395	0.6
163.98303	0.4
167.06958	0.5
175.03929	1.2
176.04257	0.4
178.06055	0.4
181.08678	1.1
191.03328	0.4
191.57169	0.4
207.06493	2.5
207.10081	0.5
208.06859	1.3
209.08231	0.4
223.06001	4.8
224.06300	2.2
225.06564	0.7
252.42683	0.3
276.06494	0.6
290.08096	11.8
302.08072	3.0
304.06027	11.3
304.09131	0.5
318.07605	15.6
319.08380	63.9
320.09140	0.4
334.10712	100.0
355.13605	0.4
356.14178	0.4
370.06641	0.4
371.64014	0.3
450.00128	0.4
503.21957	0.4
686.22552	2.3
730.21167	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40466	0.4
52.80736	0.3
58.06583	0.4
71.60165	0.4
78.36761	0.4
85.02884	1.0
135.61363	0.4
145.02840	0.6
155.07021	0.5
167.06999	2.0
168.63257	0.4
175.03870	2.0
176.04247	0.5
177.05478	3.1
178.05832	1.7
179.07019	0.6
181.08638	0.6
191.06985	0.9
192.07527	0.5
193.08722	0.4
205.04976	7.0
206.05295	4.5
207.06491	2.6
208.06920	0.9
223.05957	0.6
224.10428	0.6
225.10825	0.5
260.59262	0.4
262.11469	0.6
290.08087	11.6
290.11191	0.7
302.08173	3.6
304.05984	9.3
318.07605	15.6
319.08395	57.3
320.09357	3.4
321.09732	0.5
332.65744	0.4
334.10730	100.0
335.11209	0.9
336.12268	1.0
401.14777	0.6
678.88757	0.6
686.21960	2.7
725.68866	0.5
730.21149	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.3
92.21562	0.2
93.99081	0.1
107.08654	0.1
147.33450	0.2
203.10605	0.4
249.11011	0.7
255.10207	0.2
276.06241	0.4
281.08081	0.3
290.08072	11.3
302.08109	3.1
304.06018	10.6
318.03760	0.4
318.07574	15.4
319.08368	59.0
320.09070	1.7
322.10641	1.4
325.21646	0.2
334.10706	100.0
335.10995	0.2
343.22900	0.3
371.22131	0.3
391.62601	0.2
686.22168	2.3
730.21143	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.214
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22027	0.3
70.89999	0.3
81.03399	0.4
83.34966	0.3
83.37070	0.3
85.02876	2.0
87.23979	0.3
91.05481	0.4
96.04408	0.4
97.02872	0.6
118.39792	0.3
145.02782	0.5
147.04395	0.6
163.98303	0.4
167.06958	0.5
175.03929	1.2
176.04257	0.4
178.06055	0.4
181.08678	1.1
191.03328	0.4
191.57169	0.4
207.06493	2.5
207.10081	0.5
208.06859	1.3
209.08231	0.4
223.06001	4.8
224.06300	2.2
225.06564	0.7
252.42683	0.3
276.06494	0.6
290.08096	11.8
302.08072	3.0
304.06027	11.3
304.09131	0.5
318.07605	15.6
319.08380	63.9
320.09140	0.4
334.10712	100.0
355.13605	0.4
356.14178	0.4
370.06641	0.4
371.64014	0.3
450.00128	0.4
503.21957	0.4
686.22552	2.3
730.21167	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.6
79.80730	0.3
102.86852	0.3
116.78922	0.3
119.04941	0.5
145.02831	0.5
147.04434	0.5
154.85612	0.3
167.07051	0.5
175.03922	2.7
176.04216	0.6
177.05486	2.2
178.05930	0.6
191.02925	0.4
191.06947	1.3
205.04951	7.7
206.05278	4.4
207.06680	3.6
208.06883	2.0
220.07060	0.4
261.11249	0.7
262.11545	0.4
276.06363	0.4
290.08118	11.2
290.11252	0.7
296.10559	0.5
302.08136	3.5
304.06012	11.4
318.07559	14.0
318.11108	0.7
319.08386	56.5
320.09204	0.8
334.10721	100.0
336.12180	0.5
400.14575	0.6
401.14954	0.7
411.14523	0.4
470.19116	0.4
686.22345	2.9
714.25629	0.4
730.20947	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.214
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22027	0.3
70.89999	0.3
81.03399	0.4
83.34966	0.3
83.37070	0.3
85.02876	2.0
87.23979	0.3
91.05481	0.4
96.04408	0.4
97.02872	0.6
118.39792	0.3
145.02782	0.5
147.04395	0.6
163.98303	0.4
167.06958	0.5
175.03929	1.2
176.04257	0.4
178.06055	0.4
181.08678	1.1
191.03328	0.4
191.57169	0.4
207.06493	2.5
207.10081	0.5
208.06859	1.3
209.08231	0.4
223.06001	4.8
224.06300	2.2
225.06564	0.7
252.42683	0.3
276.06494	0.6
290.08096	11.8
302.08072	3.0
304.06027	11.3
304.09131	0.5
318.07605	15.6
319.08380	63.9
320.09140	0.4
334.10712	100.0
355.13605	0.4
356.14178	0.4
370.06641	0.4
371.64014	0.3
450.00128	0.4
503.21957	0.4
686.22552	2.3
730.21167	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13825	0.2
61.51252	0.2
63.17758	0.2
66.76734	0.2
69.11487	0.2
76.71986	0.2
80.96430	0.2
85.02895	0.3
94.78136	0.2
97.02892	0.3
99.04432	0.4
121.06535	0.5
137.05937	0.3
149.04887	0.3
149.05956	2.4
155.51779	0.2
162.05562	0.4
176.07098	1.9
177.07845	100.0
178.08633	1.1
206.08226	0.3
244.09644	0.5
281.71045	0.3
336.12363	0.4
390.13489	0.3
406.15100	0.9
452.13324	4.8
469.13797	0.3
470.14481	15.5
730.23309	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13825	0.2
61.51252	0.2
63.17758	0.2
66.76734	0.2
69.11487	0.2
76.71986	0.2
80.96430	0.2
85.02895	0.3
94.78136	0.2
97.02892	0.3
99.04432	0.4
121.06535	0.5
137.05937	0.3
149.04887	0.3
149.05956	2.4
155.51779	0.2
162.05562	0.4
176.07098	1.9
177.07845	100.0
178.08633	1.1
206.08226	0.3
244.09644	0.5
281.71045	0.3
336.12363	0.4
390.13489	0.3
406.15100	0.9
452.13324	4.8
469.13797	0.3
470.14481	15.5
730.23309	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86700	0.4
53.48613	0.4
66.13792	0.5
69.03394	0.8
69.07024	1.8
76.30208	0.5
81.07034	0.9
83.08585	0.6
85.02866	1.9
95.08584	1.5
96.25633	0.4
97.02858	0.5
97.10098	0.8
109.10114	2.8
123.11666	2.0
137.05936	0.6
148.31946	0.5
149.05992	3.1
161.05893	2.0
163.03949	0.5
163.07556	0.6
171.51027	0.4
173.05937	0.7
175.03975	0.9
175.07523	0.9
177.05403	0.5
181.04910	0.8
185.09612	0.8
187.07454	2.0
189.05435	1.0
189.09029	1.8
199.07523	0.7
201.05438	1.0
201.09100	0.9
203.10698	13.8
205.12230	3.1
207.06509	2.6
215.06953	2.6
215.10527	0.6
217.08603	0.6
221.08069	0.8
229.08611	0.9
229.12193	0.8
231.10205	3.7
233.08052	1.1
241.12225	0.8
243.13885	1.1
245.08177	0.7
249.11201	8.7
255.10117	0.5
255.13681	0.7
257.15308	2.3
269.11954	0.5
269.15280	5.5
286.03006	0.5
287.13028	0.6
287.16235	0.7
289.14343	3.4
290.08099	8.9
297.14899	3.1
301.14456	0.7
302.08167	2.3
303.15939	2.3
304.06042	8.6
314.28131	0.5
315.15964	4.5
318.07578	9.9
319.08374	53.4
320.09116	2.5
325.21643	10.4
334.10721	100.0
336.12534	0.8
343.22693	5.6
353.21127	3.0
371.22165	11.4
452.14783	0.7
730.24817	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80514	0.2
57.82917	0.3
57.93993	0.3
58.99954	0.3
74.31612	0.2
99.04411	0.5
100.91962	0.3
154.07990	0.3
167.06995	0.5
177.05443	1.2
192.80443	0.3
205.04904	0.6
207.06410	1.4
220.90538	0.3
230.79968	0.3
246.04776	0.3
290.08084	7.9
302.08093	2.4
304.06021	7.5
318.07550	10.5
318.11053	0.4
319.08383	53.8
320.09204	0.7
334.10721	100.0
338.09711	0.3
452.14801	1.4
730.24872	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86700	0.4
53.48613	0.4
66.13792	0.5
69.03394	0.8
69.07024	1.8
76.30208	0.5
81.07034	0.9
83.08585	0.6
85.02866	1.9
95.08584	1.5
96.25633	0.4
97.02858	0.5
97.10098	0.8
109.10114	2.8
123.11666	2.0
137.05936	0.6
148.31946	0.5
149.05992	3.1
161.05893	2.0
163.03949	0.5
163.07556	0.6
171.51027	0.4
173.05937	0.7
175.03975	0.9
175.07523	0.9
177.05403	0.5
181.04910	0.8
185.09612	0.8
187.07454	2.0
189.05435	1.0
189.09029	1.8
199.07523	0.7
201.05438	1.0
201.09100	0.9
203.10698	13.8
205.12230	3.1
207.06509	2.6
215.06953	2.6
215.10527	0.6
217.08603	0.6
221.08069	0.8
229.08611	0.9
229.12193	0.8
231.10205	3.7
233.08052	1.1
241.12225	0.8
243.13885	1.1
245.08177	0.7
249.11201	8.7
255.10117	0.5
255.13681	0.7
257.15308	2.3
269.11954	0.5
269.15280	5.5
286.03006	0.5
287.13028	0.6
287.16235	0.7
289.14343	3.4
290.08099	8.9
297.14899	3.1
301.14456	0.7
302.08167	2.3
303.15939	2.3
304.06042	8.6
314.28131	0.5
315.15964	4.5
318.07578	9.9
319.08374	53.4
320.09116	2.5
325.21643	10.4
334.10721	100.0
336.12534	0.8
343.22693	5.6
353.21127	3.0
371.22165	11.4
452.14783	0.7
730.24817	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75004	0.5
80.02483	0.5
86.05972	0.5
92.20925	0.7
124.29226	0.6
129.72247	0.6
177.05513	0.9
290.08182	7.8
292.09674	4.0
302.08353	2.4
304.06049	8.3
318.07587	11.1
319.08374	54.1
320.09024	4.4
321.09943	8.7
328.97260	0.7
334.10721	100.0
335.11450	1.0
336.12247	27.3
350.10428	1.0
452.15192	2.8
470.16293	0.7
712.23474	0.7
730.24933	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63012	0.4
52.91560	0.3
57.65431	0.4
62.06981	0.3
72.66724	0.3
93.60513	0.4
99.04404	0.6
121.48201	0.4
126.44724	0.4
137.05954	0.5
276.06525	0.7
290.08127	8.4
302.08078	2.4
304.06055	8.7
318.07587	11.5
319.08389	52.6
320.09293	0.9
334.10724	100.0
356.66748	0.5
367.60257	0.4
408.12711	0.7
420.12430	0.5
422.10193	2.0
436.11581	3.3
437.12744	2.6
452.14825	7.7
470.16370	0.5
712.23602	0.6
730.24884	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89108	0.4
65.11452	0.4
78.70321	0.4
80.30265	0.5
81.03433	2.0
85.02902	0.5
90.61167	0.5
94.91217	0.4
99.04456	7.6
137.71365	0.4
154.31419	0.4
260.67484	0.6
288.82025	0.6
290.08084	5.6
299.06561	0.5
302.08292	1.0
304.06021	5.0
318.07584	10.1
318.11127	0.8
319.08377	45.3
320.09375	0.6
334.10715	87.9
387.05090	0.5
402.83319	0.5
407.11975	0.8
408.12152	7.1
419.11554	2.2
420.12460	2.8
422.10284	10.8
436.11697	19.8
437.12561	14.2
437.18686	0.5
451.13998	1.8
452.14911	47.9
478.12527	0.7
494.16330	0.7
530.17554	0.6
673.67999	0.6
712.23889	3.0
730.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48585	0.3
57.29162	0.3
66.32331	0.4
97.02820	0.5
115.50567	0.4
139.47804	0.4
145.02847	0.6
175.03955	0.9
177.05438	1.7
203.10757	0.4
205.04958	2.2
206.05208	0.7
207.06496	0.8
224.10030	0.4
266.49548	0.4
290.08063	8.2
302.08047	2.4
304.06012	8.5
318.07593	9.9
319.08377	54.7
320.09131	3.5
323.11621	0.4
334.10727	100.0
335.11105	0.5
336.12198	1.6
338.13748	0.8
452.14957	0.8
730.24841	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02969	0.5
71.11728	0.4
82.46265	0.5
91.09000	0.5
94.10627	0.5
103.05481	0.4
136.76025	0.5
167.07022	0.7
181.04807	0.8
191.06923	1.0
192.07207	0.5
290.08044	7.6
302.08008	3.1
304.06061	8.0
318.07538	10.3
319.08389	52.6
320.09338	0.7
334.10721	100.0
336.12210	2.9
417.15384	0.5
436.11771	0.8
452.14789	2.8
619.10773	0.6
730.24896	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21500	0.3
60.31605	0.3
69.24149	0.4
78.26935	0.4
81.03396	0.5
81.35130	0.4
82.83485	0.5
99.66144	0.5
119.04916	0.8
120.05163	0.6
125.29583	0.5
143.70367	0.4
147.04414	2.2
148.04784	0.7
152.68921	0.5
175.03880	4.7
176.04195	2.1
177.05405	3.1
188.80910	0.5
207.06516	8.2
208.06833	3.0
215.97923	0.5
290.08118	8.3
302.08148	2.8
304.06067	8.8
318.07578	10.6
319.08398	53.3
320.09137	2.4
333.10132	0.5
334.10733	100.0
336.12244	0.9
348.12027	0.6
452.15067	0.9
545.94196	0.5
584.20642	0.5
730.24939	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89365	1.6
58.06600	1.7
72.23438	1.7
77.02418	1.6
78.36573	1.8
81.03439	4.1
91.05485	14.9
93.07059	3.2
93.13747	1.8
103.05452	4.4
107.04972	6.6
117.06976	2.3
118.01725	1.7
119.04934	11.8
121.06507	55.6
131.04836	1.8
133.02840	13.4
136.07593	100.0
137.05984	54.7
147.04512	2.1
149.06056	1.7
150.03128	2.6
151.07469	5.5
152.07088	1.8
161.06003	2.8
163.07533	2.7
164.07085	16.0
165.05487	2.0
166.32574	2.2
167.07059	28.2
173.05980	3.5
180.72748	1.8
181.04955	21.3
187.07588	2.8
189.09090	7.7
191.07024	21.7
201.09128	1.9
203.07100	2.4
205.08636	2.7
209.66974	2.0
217.08469	3.6
219.10063	2.0
249.11299	3.7
255.10187	2.3
263.09195	2.7
272.12738	2.8
279.10120	2.1
300.12411	22.4
308.09052	2.7
319.08514	3.3
320.09079	3.5
328.11896	2.5
334.10739	7.8
368.12531	2.1
385.16660	2.9
417.15366	10.0
535.17371	2.3
538.82947	2.5
550.12030	1.8
550.18610	28.4
730.28705	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
90.51295	0.4
92.34609	0.4
96.31051	0.4
99.04448	0.8
129.56654	0.4
137.06029	0.6
147.04427	1.0
167.52731	0.4
171.87297	0.5
214.88438	0.4
290.08008	0.8
292.09705	6.1
308.09082	4.3
318.07590	1.0
320.09174	100.0
338.10184	3.7
391.21265	0.5
418.07047	0.8
637.27747	0.5
704.28125	0.5
730.32910	9.8
749.12500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05507	1.9
55.66037	1.4
57.07094	1.3
64.92265	1.4
66.66795	1.3
67.05501	1.9
69.03387	1.7
69.07064	9.7
81.07052	10.4
83.08594	1.8
85.02901	12.4
87.04472	1.4
93.07039	2.1
95.08611	13.1
96.60986	1.5
97.02908	2.5
107.08581	2.6
109.10152	9.1
113.76853	1.6
117.23595	1.6
121.06532	1.9
121.10125	3.2
123.11695	7.0
127.03883	1.6
135.04390	1.8
135.11719	2.5
137.05978	3.0
149.05965	18.0
159.04449	2.0
161.05960	8.4
163.03914	7.1
163.07545	3.2
165.05524	2.5
173.05937	2.7
175.03873	2.6
175.07542	9.1
175.11172	1.9
177.05466	1.7
181.04919	8.3
184.32619	1.6
185.09544	2.3
187.07553	8.3
189.05394	13.5
189.09059	8.1
199.07491	3.6
201.05380	8.4
201.09093	11.9
203.06915	3.3
203.10651	77.0
205.12199	15.2
206.11777	2.3
207.06432	6.9
210.95337	1.6
213.05574	1.6
213.09091	3.7
215.06969	16.9
215.10616	8.9
216.48915	1.6
217.08580	3.9
217.12108	1.9
219.06509	6.3
221.08083	6.0
227.07045	2.6
227.10716	5.6
229.08629	6.8
229.12242	7.2
231.10118	16.8
233.08073	10.4
235.09688	2.1
241.08530	3.0
241.12169	6.1
243.10179	2.9
243.13803	9.5
245.08083	3.6
247.09520	3.8
249.11189	49.3
255.13824	3.0
257.15326	14.1
259.09659	2.3
261.11108	3.6
269.11615	1.6
269.12164	1.9
269.15311	29.1
273.11285	2.0
281.07993	3.0
283.13217	6.9
283.16769	2.2
285.14728	3.1
287.12756	2.5
289.14334	14.9
290.08118	7.3
297.14792	19.5
301.14243	8.2
303.16006	13.5
304.06100	7.4
311.16653	1.8
315.15799	18.6
318.07486	8.9
319.08374	42.9
320.09109	31.8
321.09464	2.8
322.10721	9.6
325.21555	68.7
334.10709	100.0
335.79779	1.8
336.12143	3.9
343.22720	24.3
353.21017	12.1
371.22131	62.2
422.91321	2.0
503.27332	1.9
730.24200	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82891	2.8
67.23743	2.2
69.84003	2.4
71.76007	2.5
77.05611	2.7
104.97235	2.4
138.41121	2.7
184.07224	4.6
251.97322	3.2
255.78104	2.8
335.91959	2.9
371.52966	3.1
496.13620	3.6
522.15271	4.5
577.20880	10.9
578.21948	3.5
592.23267	93.3
646.28638	3.2
730.37286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41532	0.8
78.70990	0.8
92.05768	1.0
122.80363	0.9
214.58566	0.9
233.80119	1.1
266.95834	1.0
496.13864	1.5
522.15454	5.2
524.17242	4.3
536.17310	3.8
537.17786	1.1
577.21185	5.0
578.20734	1.1
592.23285	79.9
606.24780	1.8
646.27826	2.3
730.37268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59269	3.9
55.05510	8.1
57.03443	9.1
57.07084	9.3
61.02918	26.4
67.05511	76.0
69.03425	19.6
69.07059	26.6
71.08620	9.1
73.02937	7.7
79.05480	7.7
81.07057	65.5
83.04979	10.4
83.08632	20.0
85.02930	33.8
91.03962	33.6
91.05489	9.1
93.07055	18.2
95.08606	65.1
97.02877	18.9
97.10184	8.5
106.52539	4.8
107.08578	22.2
108.70742	4.8
109.10163	86.2
119.08577	20.7
121.10139	28.5
123.11669	19.4
127.03933	10.5
133.10152	11.2
135.11621	6.1
137.13246	9.6
145.04993	7.7
147.11714	11.0
149.13240	9.7
155.14241	6.0
161.13258	5.8
163.05992	6.5
163.14799	4.8
173.11714	11.9
175.14719	7.8
215.12773	5.7
229.14352	100.0
230.16055	5.1
230.24562	5.1
245.22618	44.6
263.23587	41.8
287.18372	5.5
328.07230	5.9
336.12302	30.7
337.27304	19.8
355.28540	71.3
409.96695	4.9
499.32666	6.0
638.61993	5.5
642.00446	4.8
647.50323	5.1
730.33099	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57243	4.5
55.05518	8.5
56.74697	4.7
57.03448	8.0
57.07061	6.0
61.02933	9.5
67.05519	79.5
69.03430	9.1
69.07065	29.4
73.02905	8.4
79.05510	8.6
81.03413	6.7
81.07053	65.9
83.04988	9.2
83.08607	13.2
85.02905	37.8
88.69525	5.6
91.03957	32.6
91.05458	12.7
93.07054	26.7
95.08594	74.6
97.02907	30.1
97.06506	5.8
97.10152	7.0
99.08096	7.6
107.08608	8.0
109.10162	100.0
111.08099	6.1
119.08595	11.5
121.10146	28.4
123.11684	13.0
124.37258	5.4
127.03928	11.7
129.05536	9.8
133.10094	13.2
135.11691	8.1
145.48935	5.4
147.11647	9.0
149.13211	9.1
151.36522	6.3
161.13300	10.8
173.11668	7.2
175.14801	6.7
199.75945	5.6
228.74835	5.8
229.14349	88.6
237.51506	5.9
245.22638	26.8
263.23660	43.1
287.18530	11.1
319.07660	7.3
336.12393	27.0
353.26700	22.8
355.28314	68.0
355.79074	5.7
379.43668	7.2
427.30243	6.1
592.67163	5.8
730.33777	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03695	2.7
67.05523	28.6
79.05495	2.7
81.07068	40.1
83.08652	4.9
85.10197	17.9
91.05521	4.9
95.08614	38.4
104.00715	3.0
109.10164	36.2
111.08112	2.7
113.09665	32.3
119.08585	2.9
121.10122	6.9
123.11712	6.9
129.94234	3.0
133.10182	5.4
135.11710	3.6
149.13301	11.9
166.49377	3.3
167.14394	3.1
184.02087	2.7
261.21954	3.4
278.24759	6.8
279.23251	24.6
296.25839	100.0
320.09207	12.5
321.09766	3.3
336.12778	21.1
457.44241	3.2
487.07507	3.2
588.36395	3.5
651.09625	3.3
671.04266	3.2
730.37994	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03695	2.7
67.05523	28.6
79.05495	2.7
81.07068	40.1
83.08652	4.9
85.10197	17.9
91.05521	4.9
95.08614	38.4
104.00715	3.0
109.10164	36.2
111.08112	2.7
113.09665	32.3
119.08585	2.9
121.10122	6.9
123.11712	6.9
129.94234	3.0
133.10182	5.4
135.11710	3.6
149.13301	11.9
166.49377	3.3
167.14394	3.1
184.02087	2.7
261.21954	3.4
278.24759	6.8
279.23251	24.6
296.25839	100.0
320.09207	12.5
321.09766	3.3
336.12778	21.1
457.44241	3.2
487.07507	3.2
588.36395	3.5
651.09625	3.3
671.04266	3.2
730.37994	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03638	3.4
53.65779	3.7
53.89414	3.2
60.04533	47.7
67.05502	25.0
69.03412	5.3
69.07076	8.5
72.04514	5.5
77.88022	4.2
79.05476	6.5
81.03419	4.8
81.07070	23.5
83.08601	5.4
85.03464	3.7
93.07030	6.2
95.08607	27.0
97.10139	7.2
105.07040	3.9
107.08601	6.5
119.08564	7.0
121.10191	18.7
131.08524	8.8
133.10118	5.7
244.20592	4.6
260.23721	24.7
278.24796	17.9
281.17374	4.9
298.10794	5.4
299.86029	6.1
350.10208	6.8
351.10632	6.9
417.46136	5.1
420.16595	5.3
435.73624	5.4
550.48224	84.9
568.49274	100.0
682.14020	5.9
730.36554	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13960	0.8
54.12263	0.8
55.05505	2.7
57.07084	4.3
60.04532	42.8
67.05508	13.6
68.05910	0.9
69.07073	6.7
71.01345	5.2
71.08631	2.0
72.04514	4.9
73.95237	1.1
74.06069	2.4
79.05497	8.1
81.03433	1.2
81.07072	12.6
82.06547	1.2
83.08625	7.8
85.02840	1.1
85.10158	1.4
91.05473	1.4
93.07044	10.3
95.04958	5.0
95.08604	12.1
97.10164	6.8
98.06071	1.7
105.07040	7.4
107.08588	6.2
109.10171	7.9
111.08134	1.1
111.11671	1.6
117.07024	4.3
119.08569	2.4
121.06490	2.2
121.10168	8.3
128.20851	1.2
131.08591	6.1
133.10144	1.6
135.08115	2.2
135.11636	2.4
145.10115	4.2
171.21028	1.1
190.50267	1.1
225.93471	1.4
250.25423	1.6
260.23685	25.1
261.22168	6.2
278.24814	16.0
296.25803	5.9
320.09232	2.2
354.76706	1.1
356.27945	2.7
477.79623	1.2
532.46771	2.0
550.48303	27.5
568.49353	100.0
725.06146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17431	6.5
51.36652	6.9
51.46072	8.9
62.12412	7.5
78.38165	8.2
193.04877	76.5
306.07523	16.2
320.08759	24.4
321.09683	11.5
334.07037	14.8
334.10648	37.3
335.08011	44.8
350.10336	100.0
364.07980	33.6
380.11014	12.5
425.87939	10.8
530.77295	10.5
611.22717	9.9
731.19550	39.3
752.54993	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21219	0.9
68.75868	0.9
72.16975	1.0
76.36377	1.1
117.25369	1.3
145.55815	1.2
158.17267	1.2
244.36836	1.3
333.06308	2.5
348.08624	2.2
380.11401	6.4
380.18866	1.2
408.35938	1.3
410.10422	1.8
420.08755	1.9
436.08362	2.9
438.09821	7.6
440.11505	2.6
450.09808	5.8
452.11591	5.2
454.09247	5.8
455.73038	1.3
462.32541	1.2
466.09369	11.7
468.10648	16.2
469.11554	2.0
478.09305	1.4
480.11349	4.4
482.08340	9.3
492.07666	1.5
496.10101	15.9
497.10797	2.1
510.08008	19.3
512.13470	8.5
524.09625	9.8
525.10083	1.3
540.12866	100.0
634.61505	1.5
731.18579	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21219	0.9
68.75868	0.9
72.16975	1.0
76.36377	1.1
117.25369	1.3
145.55815	1.2
158.17267	1.2
244.36836	1.3
333.06308	2.5
348.08624	2.2
380.11401	6.4
380.18866	1.2
408.35938	1.3
410.10422	1.8
420.08755	1.9
436.08362	2.9
438.09821	7.6
440.11505	2.6
450.09808	5.8
452.11591	5.2
454.09247	5.8
455.73038	1.3
462.32541	1.2
466.09369	11.7
468.10648	16.2
469.11554	2.0
478.09305	1.4
480.11349	4.4
482.08340	9.3
492.07666	1.5
496.10101	15.9
497.10797	2.1
510.08008	19.3
512.13470	8.5
524.09625	9.8
525.10083	1.3
540.12866	100.0
634.61505	1.5
731.18579	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23825	0.2
63.00183	0.2
92.24093	0.2
96.80339	0.3
98.17304	0.3
104.16309	0.2
186.17484	0.3
190.04991	0.5
262.08707	0.3
263.05685	1.3
264.06506	0.6
277.07376	0.5
278.08017	0.5
289.07367	1.1
290.08136	1.1
292.06049	2.4
292.09311	0.4
293.06827	0.5
303.05197	1.3
305.06866	1.4
306.07587	11.8
308.05392	1.0
308.89502	0.3
317.06808	23.1
318.07526	3.9
320.05536	10.1
320.08945	0.4
321.06323	1.7
327.17242	0.3
331.04614	1.4
334.07089	10.8
335.07861	16.8
336.08615	0.5
336.12317	0.6
346.07083	3.2
348.05045	0.6
349.05823	6.0
350.10223	56.5
364.08142	100.0
440.26160	0.3
731.18494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49424	1.1
55.77456	1.2
67.65073	1.2
82.67203	1.3
99.04474	1.8
154.04977	1.4
188.07013	1.5
190.04965	1.7
193.03180	1.3
207.06549	2.0
207.08351	1.7
276.06619	1.7
290.08075	8.8
291.08655	5.4
292.06039	2.3
292.09628	1.6
303.05313	3.3
304.06143	1.8
305.06696	7.3
306.07651	2.1
308.09174	5.5
314.48837	1.6
318.07410	11.7
319.08359	25.6
320.05466	6.1
320.08896	22.1
321.06024	2.1
322.10739	9.0
323.11383	2.8
331.04544	2.9
334.07028	7.1
334.10687	41.4
335.11069	24.0
336.12204	2.5
342.13382	2.4
343.13705	2.5
346.07126	5.6
348.04996	2.2
349.05780	11.9
350.06677	2.4
364.08133	100.0
496.13959	1.9
540.12286	2.7
564.09064	1.6
609.13013	1.8
637.12225	2.1
653.15198	3.1
660.47693	1.7
713.17511	18.7
731.18665	82.0
731.29773	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85126	0.4
73.67374	0.3
109.91009	0.4
131.80466	0.4
151.27109	0.4
160.03966	1.4
165.05473	6.0
167.44116	0.4
178.04988	21.9
178.06529	0.8
206.04489	2.0
235.51018	0.4
278.08051	3.0
280.06076	0.6
280.09573	0.5
281.06876	0.6
291.05353	0.6
292.06052	1.8
306.07678	5.1
308.05594	2.8
308.08847	0.5
309.06210	1.7
319.04541	1.9
334.07056	5.0
337.05740	5.7
352.08136	100.0
370.09207	47.7
442.70401	0.4
658.18201	0.5
731.19110	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04441	2.3
90.96039	2.4
104.30056	2.7
109.63879	2.6
132.28430	2.6
166.28139	2.8
171.26762	2.8
205.78925	3.3
226.31479	2.6
320.09122	3.7
321.09344	3.4
333.14926	11.0
334.15283	2.8
336.12250	6.3
337.12442	4.1
470.12152	3.2
569.24207	4.2
685.17682	13.8
700.21033	22.2
731.22253	100.0
731.35364	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35957	0.6
62.68335	0.7
115.55558	0.8
133.33810	0.7
234.47243	0.8
276.06320	0.8
290.04971	1.0
290.08133	1.7
291.09003	0.9
292.09750	2.8
305.06866	7.2
306.07556	5.4
308.09171	15.8
318.04034	5.3
318.07806	3.3
319.08344	12.1
320.05829	1.1
320.09241	3.5
321.09927	4.3
322.10724	56.8
323.11539	3.4
333.06348	16.0
333.10034	1.0
334.10730	100.0
335.07928	1.5
336.05026	2.1
336.08731	8.0
348.08585	14.5
349.09482	1.0
350.10254	5.7
351.11041	27.1
351.15057	1.6
355.03629	0.9
380.11392	7.3
651.13867	3.2
699.19574	1.1
713.21472	36.3
731.22260	41.0
731.35254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24567	1.7
61.07200	1.7
84.06540	1.7
98.99496	1.8
99.96038	1.9
121.66851	1.7
131.83667	2.0
198.66801	2.2
290.08279	2.9
290.91428	2.3
305.06802	4.2
306.07669	3.6
308.09171	11.6
318.04004	2.5
319.08359	11.7
321.09851	2.2
322.10770	61.4
327.71564	2.2
333.06277	15.7
334.06805	4.0
334.10733	100.0
335.07764	2.6
336.08627	10.8
336.12277	2.9
348.08548	17.5
350.10086	5.8
351.10922	25.7
364.08154	4.1
380.11298	9.9
545.36292	1.9
713.21521	34.0
731.22418	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97986	1.3
56.23344	1.4
58.86628	1.5
65.34097	1.5
69.00985	1.4
82.06029	1.6
84.21017	1.3
107.08642	1.8
139.29387	1.4
169.16997	1.4
172.79906	1.6
177.12729	1.6
186.02541	1.6
189.06564	2.0
226.49965	1.8
261.37732	1.6
290.08127	5.9
292.09827	1.9
305.06848	7.9
306.07571	6.3
307.08420	1.9
308.09106	16.2
318.03992	3.8
318.07336	2.3
319.08502	12.9
320.09207	2.8
320.12729	3.3
321.10056	2.7
322.10721	62.5
323.11713	2.1
333.06174	13.8
334.10736	100.0
336.08652	7.7
336.12323	7.3
348.08798	14.7
350.10168	7.3
351.11066	23.0
380.11270	7.9
506.37100	2.0
657.18567	2.8
713.21350	34.9
731.22711	61.4
731.35352	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58257	0.7
65.89072	0.8
68.37640	0.9
81.03425	1.0
85.02905	1.0
89.47179	0.8
91.05458	3.3
103.05497	0.8
119.04951	13.5
131.04910	1.1
137.05984	13.6
143.67079	0.8
145.02814	1.1
147.04422	19.6
151.07539	1.3
157.03990	1.6
163.07578	3.3
167.06995	6.7
175.03899	63.2
177.05446	1.6
187.70383	0.8
207.06525	100.0
219.10155	1.0
225.07530	6.2
255.10390	1.0
282.87405	0.9
295.13110	0.9
308.10895	1.5
315.11707	6.0
319.08466	3.3
320.09039	3.8
322.10663	3.5
327.15942	1.1
329.11484	8.6
329.61929	3.7
334.10730	5.5
335.10962	1.6
336.12317	1.7
337.13120	9.8
337.63184	1.5
338.14041	1.2
359.35526	1.0
369.11783	10.9
727.93408	1.0
731.24292	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05507	7.1
57.07072	2.3
67.05507	20.9
69.07072	22.1
71.08596	1.5
79.05501	12.0
81.03426	17.5
81.07066	24.7
83.04977	6.3
83.08608	6.4
91.05482	7.0
93.07038	23.2
95.04964	20.9
95.08598	15.3
97.10153	7.7
97.87118	1.7
98.98470	7.0
99.08078	3.7
105.07050	11.5
107.08569	21.1
109.06516	6.7
109.10188	14.6
111.08029	1.7
117.07011	1.7
119.08570	7.4
121.10130	6.5
123.11674	2.2
125.09595	2.9
125.86850	1.3
131.08574	2.2
133.10170	16.7
135.08069	1.8
135.11694	8.2
147.08037	1.4
147.11687	11.7
149.13211	7.2
151.11174	48.4
153.09125	1.4
155.01012	10.0
157.10114	2.1
161.13272	7.6
163.14786	2.3
165.12709	9.2
171.11696	3.0
175.14821	3.2
179.14247	2.9
185.17215	1.6
188.14909	1.7
231.21045	6.5
241.19228	2.0
249.22067	3.4
259.20407	2.6
277.21619	100.0
295.22659	60.5
320.09198	2.0
336.12323	1.9
339.29041	2.2
371.87289	1.5
419.25299	2.1
470.86499	1.8
533.15271	1.5
731.34631	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24694	1.6
52.59906	1.5
55.05510	3.5
55.42941	1.9
57.89325	2.0
58.90073	1.6
66.93149	1.8
67.05519	19.6
69.07063	18.2
79.05495	13.6
79.37824	1.8
81.03430	12.7
81.07060	23.8
82.02994	2.1
83.04978	7.7
83.08636	5.1
83.34172	1.6
85.10167	2.7
91.05473	8.6
93.07045	21.6
95.04971	15.8
95.08606	16.8
95.10692	2.3
97.06553	2.7
97.10152	3.4
98.98457	4.8
105.07056	10.1
107.08607	15.5
109.06549	2.7
109.10160	10.9
119.08564	2.9
121.10136	12.3
123.11720	9.4
125.09642	4.9
131.48257	2.2
133.10114	14.6
135.11670	2.9
147.11690	5.1
149.13211	3.8
151.11183	37.9
155.01041	8.4
161.13255	3.1
163.14809	2.3
165.12743	4.6
175.11194	2.3
175.14760	2.9
212.86115	1.9
231.20985	4.8
241.19566	2.6
249.22089	2.7
259.20630	4.1
277.21609	100.0
295.22702	56.3
319.08365	2.2
320.09155	4.0
419.25546	3.1
731.36865	8.8
732.52716	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.7
55.12724	2.0
67.05508	15.3
69.07065	14.0
71.08637	43.0
79.05500	17.5
81.07054	21.5
83.04983	4.6
83.08631	13.3
85.06519	2.6
91.05482	12.3
93.07046	23.5
93.25639	2.3
95.08610	18.9
97.06535	5.3
97.10158	4.3
98.98476	10.8
99.08092	30.6
105.07029	11.5
107.04960	4.5
107.08585	16.3
109.10170	10.4
119.08562	12.0
121.10146	14.9
129.07005	4.3
131.08536	3.5
133.10117	4.0
135.11714	19.4
137.09604	3.2
147.11673	4.2
149.13300	5.9
151.11174	19.1
153.12729	2.9
155.01025	15.7
161.13243	15.4
163.11156	4.7
165.12820	3.5
171.11687	4.3
179.14311	28.3
185.13232	4.6
189.12787	3.3
277.21646	70.5
295.22681	100.0
301.54370	2.5
339.28745	4.9
419.25592	9.9
497.30219	2.6
589.46698	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57065	0.3
82.83985	0.4
108.03953	0.3
111.43269	0.3
144.72838	0.4
252.02649	0.4
282.72919	0.4
290.08099	7.8
302.08191	2.9
304.06024	7.0
304.09201	0.7
318.07581	11.1
319.08377	52.4
320.08975	4.8
321.09857	1.4
322.10660	4.3
334.07278	4.7
334.10709	100.0
335.11108	3.2
336.12259	17.2
349.09387	5.4
364.11792	8.3
732.22864	29.0
732.33936	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57065	0.3
82.83985	0.4
108.03953	0.3
111.43269	0.3
144.72838	0.4
252.02649	0.4
282.72919	0.4
290.08099	7.8
302.08191	2.9
304.06024	7.0
304.09201	0.7
318.07581	11.1
319.08377	52.4
320.08975	4.8
321.09857	1.4
322.10660	4.3
334.07278	4.7
334.10709	100.0
335.11108	3.2
336.12259	17.2
349.09387	5.4
364.11792	8.3
732.22864	29.0
732.33936	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91070	0.3
65.19135	0.2
66.51221	0.3
69.87424	0.3
71.35627	0.2
75.62971	0.2
94.81583	0.3
96.63863	0.3
107.27081	0.3
124.84655	0.3
171.97379	0.3
199.64487	0.3
207.26155	0.3
210.72246	0.3
242.10303	0.3
276.06274	0.4
290.08115	9.3
302.08105	2.7
304.06027	8.9
304.09482	0.4
306.07367	0.5
318.07602	11.7
319.08389	49.6
320.09109	4.1
322.10532	0.4
334.10736	100.0
335.11002	1.1
336.12158	2.1
364.08112	0.6
365.08591	0.5
447.74557	0.3
601.70630	0.3
602.64325	0.4
732.22839	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90849	0.4
62.42433	0.4
62.95865	0.3
70.06545	0.4
72.25313	0.4
75.64963	0.4
113.64043	0.4
145.02823	0.4
163.07579	0.5
167.06885	0.6
175.03784	0.6
177.05389	1.7
177.07854	6.4
178.08255	3.1
179.08424	0.7
207.06517	0.5
265.08621	0.4
321.09927	1.7
329.65765	0.4
331.12201	0.5
333.13510	0.8
334.43314	0.5
336.12305	3.9
346.10736	0.8
347.11017	0.5
348.12125	0.6
349.09299	1.0
349.13052	2.2
350.10156	2.0
359.11453	0.7
361.16428	0.8
362.14175	3.4
364.11737	8.1
364.15662	1.4
372.12292	20.0
375.11002	2.6
376.11655	0.8
390.13348	25.8
393.11856	0.7
394.12915	1.0
408.14432	25.3
410.15817	0.5
412.13821	1.8
426.15338	2.0
428.16858	0.6
454.14883	9.1
472.16016	100.0
732.24823	61.5
732.38477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00844	0.9
51.06895	0.8
51.42454	0.8
53.04579	0.8
63.36338	1.1
69.03430	2.1
80.47972	1.0
85.02917	1.4
129.39195	1.0
137.06001	1.4
156.73523	1.1
174.05554	1.4
261.13657	1.1
290.08194	2.4
302.08246	1.6
304.06131	2.0
318.07800	5.3
319.08411	29.2
320.09213	2.0
334.10721	94.0
336.12317	4.1
424.12100	2.2
426.09888	2.1
428.11316	5.7
440.11337	1.9
441.12415	1.3
455.13834	4.4
456.14282	4.6
478.16449	1.6
524.21149	1.9
534.19006	1.8
542.22192	2.0
552.20258	6.3
570.21136	5.2
732.26526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24072	0.2
135.92883	0.3
176.52704	0.3
178.06111	0.3
276.06168	0.3
286.56210	0.3
290.08099	4.7
302.08105	1.6
304.05994	4.6
318.07602	6.8
319.08401	35.1
320.09174	4.1
321.09717	0.3
324.12009	0.4
334.10733	100.0
335.11096	2.1
336.12079	2.5
395.14786	0.3
732.33960	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79066	0.2
63.35226	0.2
66.77663	0.2
107.44262	0.3
116.99655	0.3
149.75684	0.3
164.99594	0.3
174.07303	0.3
177.05411	0.3
189.68291	0.3
226.36794	0.4
276.06509	0.4
290.08060	4.0
302.07965	2.1
304.05911	3.6
308.08801	0.3
318.07544	5.7
319.08350	34.1
320.09045	3.6
321.09045	0.6
334.10684	100.0
335.11011	2.5
336.11853	3.2
415.45435	0.3
440.64609	0.3
732.34009	23.9
738.12213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29134	0.2
62.53307	0.2
73.52058	0.2
80.37061	0.3
90.79285	0.3
93.97381	0.3
94.63676	0.3
99.04380	0.4
108.98729	0.2
111.99632	0.3
191.07056	0.3
290.08054	5.4
302.07971	1.2
304.06033	4.7
318.07593	7.4
319.08408	36.0
320.09100	6.4
321.09753	0.6
322.10583	1.2
334.10745	100.0
335.11124	1.4
336.12259	4.5
338.13907	0.3
386.85632	0.3
472.13910	0.3
732.34375	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88667	4.4
62.06754	4.2
64.28152	4.5
74.77586	5.4
78.72330	5.9
92.20867	10.8
110.40218	5.6
148.07428	5.6
150.94536	5.3
164.06750	5.1
174.05328	5.5
177.74615	5.3
253.52785	5.8
307.99078	6.1
322.10748	7.0
339.10873	5.4
381.10434	6.1
594.24664	34.2
656.90033	5.9
732.38757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50155	0.8
54.67703	0.9
61.76528	0.9
65.67503	0.9
79.19401	1.0
91.33264	1.1
92.21603	1.2
127.25707	1.1
136.57784	1.1
200.06239	1.0
210.53990	1.1
391.70926	1.4
465.97095	1.2
483.34930	1.2
486.15378	1.7
498.15616	2.0
507.58676	1.1
511.16113	1.3
522.70618	1.4
524.17029	8.7
526.18604	2.6
538.18726	4.2
552.19794	1.8
564.19775	1.9
579.22284	8.9
580.24030	4.8
593.24725	1.3
594.24847	79.6
608.26544	4.2
648.29645	5.4
732.38837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.9
77.16701	1.7
136.57510	1.6
140.09264	1.5
197.08791	1.9
248.37442	1.8
305.67252	1.6
336.12381	2.1
354.51425	1.6
411.31732	1.8
430.58200	2.1
498.15146	2.9
510.19113	2.3
540.62665	2.0
562.22510	2.7
579.21960	6.7
580.23926	8.3
594.24835	80.1
608.26367	3.0
648.29504	3.8
732.38867	100.0
754.86993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.7
55.05517	2.4
56.18804	2.2
57.54567	2.3
60.20956	2.0
67.05504	13.2
69.03440	4.6
69.07056	4.8
71.04986	4.1
73.02911	27.2
73.16862	2.1
74.12318	2.2
79.05479	13.5
79.05915	2.1
81.03416	13.3
81.07059	20.7
83.04955	4.0
85.02905	9.5
87.04438	3.5
91.05507	5.5
93.07055	21.0
94.87515	2.7
95.08586	19.3
97.02896	14.8
99.03816	3.6
99.04461	100.0
105.07037	10.9
107.08585	21.1
108.19163	2.8
109.10146	10.1
111.04409	2.6
117.06998	4.6
119.08550	5.9
121.06509	2.4
121.09385	2.4
121.10099	19.3
121.13571	2.2
127.03909	11.0
131.08586	9.7
133.10149	5.7
135.11668	10.5
145.02879	5.9
145.04933	2.8
145.10107	5.3
149.13222	2.8
157.10046	3.4
159.08052	3.1
159.11682	9.3
161.13179	2.8
177.05403	18.0
185.45866	2.5
192.27396	2.6
243.08618	21.0
261.22284	4.9
281.39328	2.8
309.05481	3.0
315.23196	3.5
336.12283	4.4
351.23022	4.2
359.25674	3.3
369.24225	11.5
375.25296	2.6
467.27588	8.8
485.28793	13.7
503.29736	5.5
732.34692	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.5
58.06605	9.2
60.21311	0.6
71.69083	0.6
72.08161	16.9
84.08160	0.8
84.89725	0.6
88.07659	4.2
90.09195	31.3
95.04982	0.9
98.01334	0.8
102.09200	2.7
107.04977	8.1
120.04665	0.6
133.06519	1.2
135.08058	74.7
147.08098	1.0
173.09608	6.4
183.32333	0.7
191.10663	9.9
209.11775	10.3
269.80228	0.6
307.08401	1.3
316.07715	0.7
319.08670	1.1
320.09183	1.5
322.10754	2.8
334.10898	3.4
336.12549	2.4
350.10168	1.1
351.10666	1.2
642.33905	0.8
732.20660	2.6
732.41211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60965	9.1
60.04527	73.9
72.05435	9.3
82.47202	9.2
83.08601	8.9
120.34329	10.0
141.47884	10.2
151.21529	9.3
262.25275	49.0
280.26239	15.9
298.26947	13.2
318.95874	12.4
336.12552	17.9
337.12558	19.2
385.12305	10.0
534.49097	15.0
552.49689	42.8
570.50598	100.0
600.51758	10.8
732.45801	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5617
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
51.64696	1.9
55.05505	2.5
57.07097	2.3
60.04536	62.2
63.23108	2.6
65.56539	2.5
67.05505	5.7
69.07062	3.0
72.19108	2.5
74.03378	2.7
79.05482	4.1
81.07057	12.7
83.08640	3.9
93.07077	2.8
95.08615	10.9
105.07095	4.0
109.08813	2.8
109.10143	4.0
115.48111	2.6
119.08611	5.2
121.10191	4.3
133.10103	3.4
135.11745	3.1
170.18889	2.9
207.30661	2.7
245.22243	2.8
262.25272	29.1
263.23694	3.3
279.10226	2.7
280.26346	16.7
290.98181	2.5
298.27115	4.1
303.32742	3.2
332.61417	2.6
534.48901	3.2
552.49719	40.7
570.50873	100.0
732.37305	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.3
68.03093	0.3
68.32565	0.3
90.09184	1.3
95.08660	0.4
103.37534	0.4
119.08704	0.4
126.26441	0.4
135.08076	1.5
168.14778	0.3
179.07083	0.4
190.05032	1.8
198.35999	0.4
226.33998	0.4
233.27844	0.4
261.08023	0.4
263.05798	0.6
264.06616	0.6
275.09402	0.6
276.06570	4.1
276.09875	0.7
277.07303	0.7
278.08099	3.7
290.08078	2.4
291.08902	4.7
292.06088	2.3
292.09607	1.4
293.06833	0.4
303.05222	0.7
304.06104	8.8
304.09543	0.6
305.06812	0.6
306.07599	10.8
306.10928	0.7
307.08383	6.8
308.08841	0.5
309.09171	0.3
311.25821	0.7
318.04343	0.4
318.07565	3.5
319.08395	34.6
320.05484	3.6
320.09280	1.8
321.06293	0.9
321.09891	11.2
322.07248	0.9
322.10736	11.8
323.10980	0.8
324.11353	0.7
331.04663	0.8
334.07004	1.3
334.10703	16.0
335.07706	0.4
335.11163	2.9
336.12225	2.4
346.07153	2.3
348.05200	1.2
349.05798	5.5
349.09476	0.5
351.10718	0.4
352.11786	34.6
353.11316	0.5
364.08145	100.0
382.09225	1.7
384.10754	0.4
384.14478	5.2
715.20972	2.0
733.22498	5.6
733.40619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
121.79855	2.2
134.63855	1.9
185.56430	2.0
210.92528	2.2
292.05975	2.3
293.05429	3.0
306.07678	14.8
320.05548	100.0
320.08801	4.2
321.09985	3.9
322.07040	13.4
322.10568	3.1
334.10675	4.3
335.07867	76.3
350.06470	4.6
350.10205	60.9
350.14227	3.6
351.06985	15.4
352.11792	3.9
364.08160	4.4
366.09637	24.4
384.10760	43.4
452.11441	2.7
569.85388	2.5
733.20654	13.9
733.33466	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79573	3.2
53.21236	3.5
55.72244	3.2
64.82294	3.5
69.10616	3.9
72.54865	3.4
80.13615	4.2
131.26031	3.8
158.32347	4.1
167.14323	4.0
304.06094	7.9
306.07690	5.3
318.07471	8.8
319.08383	54.1
320.09018	38.9
320.55820	4.7
334.10739	25.7
335.07605	7.0
336.12076	8.3
350.10117	4.9
352.11801	67.8
364.08145	100.0
365.08524	5.1
379.30646	4.4
379.80103	4.4
432.58856	4.6
438.09573	6.2
452.11258	5.8
452.27182	4.7
453.11856	5.7
466.08926	6.3
468.10880	5.0
480.10980	5.1
496.13663	20.0
685.82574	4.6
715.18732	5.1
733.19690	51.0
733.33759	7.5
742.05029	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25071	1.2
51.93586	1.2
55.92404	1.2
62.71591	1.3
77.32957	1.1
128.75270	1.4
136.98735	1.5
151.07411	1.3
164.71675	1.4
165.05511	6.7
167.84070	1.6
318.07751	1.8
319.08453	3.4
320.09113	2.5
326.35043	1.4
334.10590	10.9
335.11285	2.7
336.12152	6.6
359.40247	1.5
422.10510	2.2
436.11963	5.6
438.09702	10.2
441.58951	1.7
450.09753	3.3
452.11438	16.6
453.12155	20.0
464.11728	2.1
466.09070	18.8
468.10596	16.1
480.10745	12.0
481.11624	10.8
494.08179	1.7
496.13907	59.4
496.20874	2.9
508.10428	2.1
524.13324	24.2
542.14392	10.3
554.10663	2.3
611.13940	2.0
701.17908	11.7
715.18958	14.4
733.20148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26984	0.9
60.35272	0.9
65.53125	1.1
67.36154	0.8
91.79242	1.0
97.20405	1.1
109.68867	1.0
151.07620	1.4
152.52141	1.1
177.05537	1.6
277.07455	1.6
290.04941	1.7
290.08185	5.6
291.08875	7.8
292.06094	2.6
292.09625	2.0
305.06607	8.5
306.07553	17.0
306.10263	1.1
307.08408	8.2
308.09158	51.0
318.04080	10.5
318.07608	1.7
319.08478	5.8
320.05511	9.8
320.09125	5.9
321.09842	1.4
322.10757	76.4
323.08084	2.2
323.11462	15.3
333.06299	26.4
334.07129	29.3
334.10785	6.8
335.07770	16.0
335.11203	2.2
336.05185	2.4
336.12427	2.3
348.08649	24.3
349.09329	2.3
350.10233	29.6
364.08133	6.4
365.08490	4.5
366.09586	8.8
367.10550	1.9
403.98697	1.2
431.56015	1.5
530.93726	1.5
637.10858	1.3
685.30023	1.1
715.18408	1.7
733.20123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53829	0.6
60.49131	0.6
79.54157	0.6
88.96199	0.6
94.33418	0.6
95.41159	0.7
123.31466	0.7
129.60432	0.6
190.04956	1.0
263.05887	0.9
275.09378	1.2
276.06534	4.3
276.09879	1.2
278.08179	2.5
290.08264	2.7
291.08905	5.4
292.06094	2.5
292.09360	0.6
303.05362	0.7
304.06091	9.3
306.07700	12.4
306.11142	1.2
307.08237	6.5
318.07657	4.8
319.04660	1.3
319.08405	36.5
320.05392	1.5
321.06412	1.6
321.09912	8.8
322.10687	7.8
324.12207	0.8
331.04846	1.3
333.09479	0.7
334.10706	15.0
346.07086	3.6
349.05780	4.4
352.11780	34.1
364.08145	100.0
382.09415	1.2
384.14383	11.7
648.46942	0.9
686.21735	0.6
733.21777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13102	0.9
55.76752	0.9
71.51849	1.0
76.25690	0.9
97.67170	1.0
113.91309	1.0
125.59465	1.0
155.27298	1.0
261.07916	2.5
262.08618	4.3
276.06470	1.6
277.07413	2.1
278.08221	2.1
285.73053	1.3
289.07330	1.5
290.04449	5.8
290.08090	10.8
291.08789	12.5
292.06009	5.9
292.09708	4.8
305.06866	24.5
306.07547	21.0
307.08426	11.8
308.05576	1.4
308.08987	1.2
318.04001	32.7
318.07413	2.5
319.08371	8.8
320.05576	42.1
320.09122	6.3
321.09912	7.1
322.10590	8.3
323.07947	1.3
333.06290	74.3
334.07065	18.3
334.10681	6.8
335.07855	71.0
335.11035	2.5
336.04926	9.9
336.08362	11.4
336.12155	1.8
348.08655	55.4
349.09375	3.9
350.10229	59.1
351.07257	4.5
366.09769	28.6
427.42181	1.0
639.13220	1.4
665.15765	2.0
667.13232	4.5
697.17883	14.6
715.19196	100.0
733.20227	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16413	1.2
88.97316	1.5
89.73693	1.5
100.26709	1.3
107.31825	1.3
135.04330	1.4
135.96535	1.4
141.68819	1.4
145.34369	1.5
191.07089	2.6
247.68790	1.7
279.09061	2.5
292.09790	1.6
294.11279	9.9
296.62701	1.5
307.12103	3.1
308.09030	12.8
320.05609	6.0
320.09253	3.0
323.11481	10.2
335.07956	3.2
346.20105	1.6
350.10501	2.9
351.11209	1.9
354.13336	100.0
366.09686	2.0
368.11920	1.6
382.12692	12.1
384.14645	9.1
410.12308	2.7
497.17676	1.9
571.30560	1.7
733.23987	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41961	0.7
66.41232	0.7
66.46519	0.7
75.83926	0.8
80.34814	0.7
80.72498	0.7
114.00411	0.8
129.96497	0.8
132.09967	0.8
137.06018	1.4
149.35078	0.8
169.17410	0.7
169.19310	0.8
201.03763	3.4
246.04993	1.2
261.30139	0.9
313.10498	10.3
319.08414	4.5
320.09277	3.8
321.09570	3.4
323.11444	0.9
329.10132	3.1
334.10764	10.5
335.11279	4.1
336.12207	9.5
337.12686	8.9
341.10181	0.9
359.11084	1.9
420.37341	1.1
445.14926	1.9
452.51178	0.9
463.15945	5.4
473.14331	5.3
477.13815	6.4
491.15128	8.4
492.16168	1.5
493.16498	2.7
505.16934	3.3
733.26843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02614	0.7
126.06847	0.6
185.04198	0.9
187.82625	0.6
202.06036	1.6
205.04849	0.9
208.05209	0.7
211.34709	0.7
227.03203	0.8
245.04355	0.8
246.05083	3.8
319.08545	1.0
320.08920	1.2
321.09818	1.2
322.10904	1.4
334.10944	4.1
429.15500	1.1
449.14737	0.8
473.14633	0.9
477.13895	1.4
487.15161	0.8
491.15405	4.1
493.17001	1.3
505.16333	2.7
649.76978	0.8
662.81519	0.7
733.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.2
53.36793	0.6
55.05516	1.9
57.03434	1.7
58.03585	0.6
60.94451	0.6
67.05521	6.9
69.03419	5.9
69.07061	1.2
71.04993	1.9
73.02918	25.3
79.05503	5.1
81.03423	15.1
81.07081	8.8
82.18311	0.7
83.04967	1.4
83.08651	0.9
84.22047	0.7
85.02901	9.5
87.04457	1.2
88.09402	0.6
91.05471	4.8
93.07040	9.1
95.04954	1.8
95.08589	8.6
97.02888	6.3
99.04456	100.0
105.07021	4.7
107.08593	5.6
109.02872	3.2
109.06522	0.6
109.10152	4.4
111.04436	5.0
115.03926	13.7
117.07013	1.4
119.08568	3.9
121.06516	0.8
121.10166	5.7
122.77325	0.9
123.08042	1.0
127.03913	9.2
129.07048	1.1
131.08585	1.7
133.10164	3.1
135.11679	1.5
141.05476	4.6
143.08516	2.5
145.05003	0.9
145.10136	4.9
147.11681	3.8
149.13266	1.6
152.82562	0.7
159.11699	3.4
161.13257	1.0
169.10167	0.9
171.11606	0.9
173.13199	1.5
183.11656	0.9
187.14680	0.8
243.08611	18.9
261.22198	3.3
335.24542	0.8
351.23114	3.9
357.11798	5.4
369.24200	5.2
387.25223	3.8
405.26138	3.8
503.29941	0.9
565.31476	4.9
583.32190	3.1
601.33350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39081	0.5
56.94572	0.5
56.99826	0.5
57.02536	0.5
58.06596	0.6
67.78327	0.7
69.55686	0.7
85.45406	0.5
94.34954	0.6
135.96843	0.7
137.06010	0.6
144.18401	0.6
224.38963	0.6
290.08163	7.7
292.09726	0.7
302.08200	2.7
304.06088	5.9
308.97293	0.6
318.07596	12.2
319.08395	52.3
320.08997	7.5
321.09946	3.3
334.10736	100.0
335.11145	4.6
336.12296	34.8
352.15619	1.4
406.81158	0.7
685.33038	0.7
734.24481	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39081	0.5
56.94572	0.5
56.99826	0.5
57.02536	0.5
58.06596	0.6
67.78327	0.7
69.55686	0.7
85.45406	0.5
94.34954	0.6
135.96843	0.7
137.06010	0.6
144.18401	0.6
224.38963	0.6
290.08163	7.7
292.09726	0.7
302.08200	2.7
304.06088	5.9
308.97293	0.6
318.07596	12.2
319.08395	52.3
320.08997	7.5
321.09946	3.3
334.10736	100.0
335.11145	4.6
336.12296	34.8
352.15619	1.4
406.81158	0.7
685.33038	0.7
734.24481	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32768	0.3
69.25146	0.4
69.60345	0.4
75.23341	0.3
97.37415	0.4
120.40160	0.4
121.16123	0.4
126.31861	0.4
240.50107	0.5
290.08090	11.6
302.08182	3.6
304.06036	10.7
318.07605	14.6
319.08383	64.5
320.08966	1.9
334.10721	100.0
336.11972	0.6
734.25916	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99743	0.8
57.62791	0.8
57.75834	0.7
58.15428	0.8
61.05147	0.8
76.35780	0.7
79.52229	0.8
82.37326	0.8
85.95839	0.7
159.39047	0.8
184.16969	0.9
222.57912	1.0
290.08078	10.4
302.08139	3.9
304.06079	10.6
318.07639	14.1
319.08392	62.2
320.09354	3.4
334.10724	100.0
336.12387	1.5
340.11700	1.0
342.85928	1.0
734.25940	48.7
734.38239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
76.31312	0.4
79.22624	0.4
94.88338	0.4
95.79422	0.3
103.93782	0.4
122.95370	0.4
129.31400	0.4
134.78540	0.4
136.87959	0.4
145.38594	0.5
147.56676	0.4
175.19829	0.4
190.04974	2.0
216.04103	0.4
290.08087	9.8
302.08002	3.5
304.05972	10.4
305.06479	0.5
318.07581	13.8
319.08383	59.8
320.08984	2.0
321.09930	0.6
334.10718	100.0
335.11032	0.8
336.12393	1.0
705.32404	0.5
734.25745	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
76.31312	0.4
79.22624	0.4
94.88338	0.4
95.79422	0.3
103.93782	0.4
122.95370	0.4
129.31400	0.4
134.78540	0.4
136.87959	0.4
145.38594	0.5
147.56676	0.4
175.19829	0.4
190.04974	2.0
216.04103	0.4
290.08087	9.8
302.08002	3.5
304.05972	10.4
305.06479	0.5
318.07581	13.8
319.08383	59.8
320.08984	2.0
321.09930	0.6
334.10718	100.0
335.11032	0.8
336.12393	1.0
705.32404	0.5
734.25745	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13266	0.3
75.22768	0.3
76.35458	0.3
87.90218	0.3
94.40975	0.3
133.85670	0.4
149.26273	0.3
243.37943	0.4
251.28659	0.4
290.08081	7.6
302.08139	1.5
304.06030	5.3
318.07550	9.0
319.08377	43.3
320.09167	3.5
320.12378	0.4
334.10721	100.0
438.15228	0.4
467.86963	0.4
606.81140	0.5
734.27985	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99879	0.2
66.27434	0.2
75.61301	0.2
92.96408	0.2
100.33173	0.3
105.10468	0.2
114.08395	0.2
136.99977	0.2
156.00275	0.2
217.58971	0.2
230.07620	0.2
276.06262	0.4
287.97202	0.2
290.04984	0.3
290.08084	7.7
292.09625	0.3
302.08112	2.1
303.08963	0.3
304.06006	6.9
318.07602	9.2
319.08392	43.5
320.09082	5.6
321.09500	1.0
334.10727	100.0
335.11005	1.8
336.12247	6.8
338.13773	0.3
665.24200	0.3
734.27881	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95018	0.4
60.19974	0.4
76.37185	0.4
129.18390	0.5
177.05496	0.7
198.04417	0.5
222.09879	0.5
266.37231	0.4
290.08133	7.2
301.54279	0.5
302.08185	2.1
304.06024	7.1
306.07672	0.5
318.07654	9.9
319.08392	45.0
320.09067	5.1
334.10739	100.0
335.11267	1.1
336.12341	6.4
734.28284	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06519	0.2
59.68006	0.2
67.71154	0.2
218.56648	0.3
238.10822	0.3
271.54349	0.3
290.08072	6.9
292.09457	0.3
302.08118	2.2
304.06003	6.9
307.07971	0.3
308.09097	0.6
318.07574	8.6
319.08368	41.8
320.08972	4.3
321.09521	1.4
322.10696	3.3
323.11438	0.5
334.10712	100.0
335.11188	2.1
336.12173	4.2
337.12540	0.6
380.22180	0.3
448.84705	0.4
459.12851	0.4
474.15402	0.5
519.78656	0.4
734.28058	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95018	0.4
60.19974	0.4
76.37185	0.4
129.18390	0.5
177.05496	0.7
198.04417	0.5
222.09879	0.5
266.37231	0.4
290.08133	7.2
301.54279	0.5
302.08185	2.1
304.06024	7.1
306.07672	0.5
318.07654	9.9
319.08392	45.0
320.09067	5.1
334.10739	100.0
335.11267	1.1
336.12341	6.4
734.28284	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	8.4
60.85025	5.3
65.04845	6.6
78.24445	5.4
81.07068	11.1
85.06535	11.6
93.07079	12.2
95.08610	28.9
97.06541	8.1
97.10180	9.2
103.05368	6.1
105.07015	8.5
107.08601	14.0
111.02685	7.4
119.08559	6.4
123.07985	7.3
126.41284	5.8
140.05290	40.4
142.06859	7.6
199.14787	6.8
224.10957	8.3
246.13010	7.5
260.14557	7.5
286.16382	7.7
288.81482	7.2
336.12396	9.1
377.10693	6.3
620.82159	7.8
634.39154	24.1
652.40021	32.3
684.42767	65.6
716.45319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	22.2
57.07091	30.2
67.05518	42.5
69.07076	49.8
71.08636	34.7
79.05491	10.7
79.05920	2.7
81.07061	70.9
83.08634	45.1
85.06543	4.9
85.10186	13.7
86.06100	2.7
91.05496	3.1
91.78407	2.5
92.20950	6.0
93.07048	17.6
95.08612	74.4
97.06537	5.1
97.10172	35.6
97.32300	2.9
98.98466	10.8
105.07021	15.3
107.08601	18.6
109.10165	57.4
111.08044	3.2
111.11714	16.5
119.08589	15.8
121.10100	22.0
123.08067	3.1
123.11696	23.6
133.10153	16.6
135.11726	11.9
137.09647	5.1
137.13266	7.2
139.11208	3.6
141.12740	6.8
147.11678	17.2
149.13219	6.9
151.11162	5.9
153.12767	5.4
155.00984	10.5
155.10591	4.3
155.14333	15.4
156.13863	11.9
161.13225	12.1
163.14857	4.7
170.15300	3.6
172.13246	4.4
173.11784	5.0
179.17931	4.5
245.22639	22.9
263.23743	32.1
280.26331	66.0
281.24747	5.5
298.27383	100.0
299.25797	21.8
339.28833	24.0
419.25244	5.3
440.78122	3.3
497.88181	2.9
549.94318	3.2
735.42572	3.4
744.41724	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	17.6
57.07078	33.7
58.05250	2.0
64.90472	2.1
67.05513	35.0
69.07075	51.4
71.08640	27.7
71.35236	2.3
73.28794	2.2
79.05510	4.5
79.10960	2.6
81.06613	3.8
81.07063	62.3
83.04995	3.4
83.08630	46.1
84.33013	2.6
85.06549	3.1
85.10184	14.5
91.05494	6.0
93.07044	14.8
95.08605	62.9
97.06543	5.8
97.10167	36.1
97.35217	2.5
98.98454	5.2
100.07600	4.6
105.07024	3.9
106.17604	2.5
107.08595	15.2
109.10156	46.9
111.08076	3.3
111.11723	15.4
119.08565	10.6
121.10142	15.5
123.07999	3.9
123.11693	22.4
127.11152	2.7
127.55451	2.9
133.10135	23.1
135.11685	17.3
137.09644	5.3
137.13242	11.2
139.11235	5.1
141.12764	3.5
143.31535	2.4
147.11717	14.0
149.13240	13.2
151.11182	3.0
151.14816	3.7
155.01045	10.0
155.14276	5.7
156.13824	4.0
161.13277	12.8
163.14839	2.9
165.12697	2.7
170.15421	3.8
172.13380	5.7
173.11829	3.9
175.14874	3.6
189.16382	2.5
245.22719	22.1
263.23666	22.5
280.26337	64.8
281.24710	5.0
298.27399	100.0
299.25757	17.9
336.12326	4.4
339.28842	21.9
419.25485	5.5
503.22159	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29046	1.1
54.04268	1.1
58.79274	1.0
72.42260	1.3
79.03526	1.1
95.95267	1.0
103.18107	1.2
119.08562	1.9
163.03929	5.2
165.05507	2.9
179.31892	1.3
193.04974	47.5
247.19339	1.3
336.12302	5.4
410.09909	1.6
442.13208	1.7
444.13824	1.6
446.16763	1.5
453.12152	1.4
454.12885	2.4
455.13354	1.9
456.10672	2.2
466.19949	1.5
470.12650	2.4
486.15326	8.9
488.14035	5.2
504.16257	1.7
513.16754	5.0
514.14978	1.7
525.12982	2.0
528.16113	2.1
546.17444	5.5
689.20990	1.7
707.22711	9.2
735.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58580	1.0
61.72764	1.0
64.48138	1.1
66.69236	1.1
67.35981	1.2
182.66461	1.2
193.05003	1.3
202.04633	1.2
224.53343	1.3
318.07303	1.5
319.08392	2.9
320.09064	2.1
323.11752	2.1
334.11005	9.3
335.11234	1.7
336.12173	2.3
338.13855	1.8
451.13443	1.4
469.14236	6.1
483.15607	26.5
493.13608	2.5
494.14697	2.7
495.15497	16.2
496.12848	1.8
497.13251	34.5
500.13858	2.4
511.15030	49.1
512.15869	27.2
527.18127	61.1
677.17676	1.9
691.18787	2.4
717.56140	1.3
719.18207	2.8
735.21796	100.0
741.07880	1.4
743.87366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05585	1.3
86.24780	1.2
130.79742	1.4
186.64816	1.5
198.27847	1.8
273.97858	1.5
276.55283	1.7
304.06210	1.7
319.08441	3.0
320.09021	1.8
323.11572	2.1
334.10794	6.3
335.11230	2.3
336.12271	2.7
338.14084	1.7
364.08313	1.8
399.43631	1.6
467.12207	1.9
469.14093	6.2
483.15436	37.6
493.13629	2.2
494.14777	1.8
495.15756	18.5
497.13275	35.8
500.13510	2.1
511.14969	53.7
512.15833	30.7
527.18085	69.0
677.16962	1.6
705.17169	2.3
719.18665	3.2
735.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52603	0.4
62.97769	0.4
64.19991	0.5
107.04959	8.6
131.05466	0.6
135.08061	100.0
145.06465	0.6
145.47964	0.5
161.09564	0.8
173.09633	8.2
180.81146	0.6
191.10706	1.0
209.11725	52.3
213.45753	0.6
260.10324	0.5
320.08954	0.9
326.66483	0.6
334.10709	1.3
335.11197	0.6
399.21439	1.0
457.91641	0.6
567.29657	16.9
735.21313	2.6
735.35571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50251	2.3
56.59286	2.3
56.64818	2.1
72.02737	2.6
84.86228	2.6
86.71275	2.7
112.91100	2.7
135.50201	2.7
193.21088	3.0
211.94218	2.6
310.82098	3.4
395.65375	3.2
459.21979	3.6
469.05621	3.8
533.25397	18.4
593.26898	3.9
606.28986	4.0
675.35553	22.5
735.37317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
60.56692	0.1
67.46362	0.1
67.58173	0.1
71.52631	0.1
77.40179	0.2
81.32763	0.2
83.04540	0.2
83.04980	4.0
85.02889	1.7
111.03724	0.2
111.04439	4.0
120.34703	0.2
123.88346	0.2
127.03765	0.1
130.01448	0.2
132.15727	0.1
152.51196	0.2
171.06497	1.0
183.06480	0.3
189.07556	0.9
242.05740	0.7
270.05225	1.6
285.07559	100.0
290.08664	0.6
321.09543	0.2
336.12140	0.8
447.12805	3.9
472.87408	0.2
548.13885	0.2
597.86810	0.2
736.20752	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37123	0.2
51.69410	0.2
55.05498	0.5
58.49454	0.2
69.03432	7.5
69.34811	0.2
71.01363	0.2
71.04967	1.0
81.40632	0.2
83.04974	2.0
85.02917	1.4
97.02895	0.2
111.04434	2.3
129.05470	3.1
144.69383	0.2
189.07587	2.2
213.42421	0.2
214.27524	0.2
227.33168	0.2
242.05742	0.2
246.70348	0.2
249.78328	0.2
270.05261	1.6
285.07565	100.0
321.10120	0.2
336.12302	2.1
423.43372	0.2
498.13538	0.4
512.15332	0.4
528.18481	0.9
548.14075	9.9
736.20868	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
60.56692	0.1
67.46362	0.1
67.58173	0.1
71.52631	0.1
77.40179	0.2
81.32763	0.2
83.04540	0.2
83.04980	4.0
85.02889	1.7
111.03724	0.2
111.04439	4.0
120.34703	0.2
123.88346	0.2
127.03765	0.1
130.01448	0.2
132.15727	0.1
152.51196	0.2
171.06497	1.0
183.06480	0.3
189.07556	0.9
242.05740	0.7
270.05225	1.6
285.07559	100.0
290.08664	0.6
321.09543	0.2
336.12140	0.8
447.12805	3.9
472.87408	0.2
548.13885	0.2
597.86810	0.2
736.20752	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35551	0.3
64.86817	0.3
65.20391	0.3
102.43098	0.4
151.05800	0.3
221.85469	0.3
290.08060	9.6
302.08118	3.1
304.05997	9.8
318.07574	12.9
318.11115	0.6
319.08383	54.6
320.09122	4.8
321.09479	0.5
334.10718	100.0
335.11172	0.3
336.12256	1.3
339.31769	0.4
384.28436	0.4
392.39365	0.3
686.09094	0.4
712.34650	0.4
736.22162	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02659	0.1
54.09942	0.1
56.22634	0.1
60.18692	0.1
68.84695	0.1
90.33031	0.1
105.05186	0.1
106.06525	0.2
157.56233	0.1
174.17801	0.1
186.31390	0.1
205.30762	0.2
223.01654	0.2
255.08376	0.2
273.07883	0.2
276.06384	0.6
290.08096	10.2
294.04749	0.2
298.35559	0.2
302.08151	2.9
303.08981	0.2
304.06018	8.7
318.03821	0.3
318.07596	13.6
319.08377	54.2
320.09106	2.6
321.09491	0.6
322.10556	0.3
334.10715	100.0
336.12134	0.8
450.78799	0.2
574.60669	0.2
658.81860	0.2
700.32739	0.2
736.22272	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93480	0.3
88.06954	0.3
109.07140	0.3
121.10128	0.3
137.05911	0.3
137.27544	0.4
186.82222	0.3
194.15393	0.3
289.50226	0.4
290.08090	11.2
290.11331	0.5
302.08121	2.6
304.06088	7.8
318.07611	12.5
319.08386	47.7
320.09195	3.4
321.09467	1.3
334.10727	100.0
335.11118	0.4
336.12082	1.6
736.22308	27.0
749.95880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94671	0.3
65.05413	0.3
76.47087	0.3
76.71747	0.4
77.19686	0.3
111.64540	0.4
126.79245	0.4
135.17645	0.3
148.61780	0.3
219.10054	0.4
276.06607	0.5
290.08069	11.9
302.08054	2.9
304.06000	9.3
318.07578	15.1
319.08377	53.1
320.09061	2.6
321.09424	0.5
334.10715	100.0
335.11197	1.9
336.12256	2.1
338.63507	0.4
453.23169	0.4
557.98322	0.4
736.23718	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94671	0.3
65.05413	0.3
76.47087	0.3
76.71747	0.4
77.19686	0.3
111.64540	0.4
126.79245	0.4
135.17645	0.3
148.61780	0.3
219.10054	0.4
276.06607	0.5
290.08069	11.9
302.08054	2.9
304.06000	9.3
318.07578	15.1
319.08377	53.1
320.09061	2.6
321.09424	0.5
334.10715	100.0
335.11197	1.9
336.12256	2.1
338.63507	0.4
453.23169	0.4
557.98322	0.4
736.23718	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54647	0.4
69.45173	0.4
69.95010	0.4
72.43417	0.4
74.17899	0.4
78.51625	0.3
86.06291	0.4
92.67935	0.3
97.37752	0.3
107.82770	0.4
120.34062	0.3
126.91135	0.4
138.35393	0.4
290.08112	11.5
302.08099	3.7
304.06012	10.7
318.07629	14.7
319.08377	58.3
320.09109	2.4
334.10709	100.0
335.11121	0.6
388.08261	0.7
589.61713	0.4
736.23871	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54647	0.4
69.45173	0.4
69.95010	0.4
72.43417	0.4
74.17899	0.4
78.51625	0.3
86.06291	0.4
92.67935	0.3
97.37752	0.3
107.82770	0.4
120.34062	0.3
126.91135	0.4
138.35393	0.4
290.08112	11.5
302.08099	3.7
304.06012	10.7
318.07629	14.7
319.08377	58.3
320.09109	2.4
334.10709	100.0
335.11121	0.6
388.08261	0.7
589.61713	0.4
736.23871	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51829	0.3
59.18305	0.3
86.19139	0.3
86.68378	0.3
144.91676	0.3
166.92856	0.3
178.54195	0.3
225.92264	0.4
232.06497	0.3
276.06686	0.6
290.08099	11.5
302.08121	3.3
304.06018	9.3
318.03821	0.5
318.07574	14.5
319.08371	54.9
320.09143	2.2
321.09912	0.7
322.10727	0.6
334.10715	100.0
335.11310	0.7
336.12268	3.4
339.07858	0.3
736.27417	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15458	0.6
63.45795	0.8
67.10336	0.7
89.93198	0.7
90.72472	0.7
121.39031	0.8
124.22426	0.7
177.14111	0.8
223.71141	0.7
280.29895	0.8
283.13422	0.8
290.08096	12.7
292.09677	1.8
302.08139	3.9
304.06000	8.5
306.07468	1.3
307.08139	1.5
318.07587	15.0
319.08377	56.0
320.09213	8.7
321.09915	12.3
334.10718	100.0
335.10886	1.1
336.12262	38.2
343.34109	1.2
368.08493	0.9
487.89819	0.9
542.31354	1.0
736.27661	35.6
736.71790	1.2
767.29248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95068	0.3
77.77415	0.3
105.01125	0.4
152.83273	0.3
257.76913	0.3
290.08151	10.2
302.08029	2.4
303.08640	0.4
304.06039	9.6
318.07599	13.6
318.11139	0.6
319.08380	59.0
320.09067	4.9
321.09851	1.6
322.10638	0.6
334.10718	100.0
335.11053	0.7
336.12378	6.9
425.06601	0.3
461.35309	0.4
736.27472	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44400	0.4
65.38615	0.4
65.53320	0.4
69.07961	0.4
69.95895	0.4
80.28628	0.5
107.26269	0.5
112.31142	0.5
131.00108	0.5
148.53195	0.4
159.31667	0.5
159.88751	0.5
286.94815	0.5
290.08105	10.9
292.09732	0.7
299.04745	0.5
302.07996	3.3
304.06079	10.4
315.63583	0.5
318.07611	13.9
319.08383	59.5
320.09055	6.2
320.85745	0.5
321.09970	2.6
322.10416	0.7
334.10721	100.0
335.11194	2.4
336.08127	0.9
336.12274	27.8
338.13956	0.6
370.13556	0.5
381.66367	0.5
736.27557	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41153	0.3
56.92127	0.3
74.60178	0.3
181.08530	0.6
199.07426	0.5
205.08582	0.6
276.06491	0.6
290.08105	10.8
302.08087	2.3
304.06036	9.7
305.06522	0.5
305.11652	0.6
318.07617	14.2
319.08380	58.7
320.09045	7.0
334.10721	100.0
335.11011	3.3
336.12405	4.6
367.15448	1.5
405.64777	0.4
487.14218	0.4
522.57233	0.4
736.27496	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97505	0.3
57.13271	0.3
62.37430	0.3
75.65087	0.3
121.15472	0.3
136.77466	0.3
271.04163	0.4
290.08115	10.3
301.72702	0.4
302.08200	3.0
304.06061	9.5
318.07635	12.7
319.08395	54.7
319.68335	0.4
320.09079	2.9
321.09921	1.6
323.11017	0.4
334.10742	100.0
335.10983	0.5
336.12296	7.4
390.23602	0.4
700.80353	0.4
736.27832	29.1
738.17505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36712	1.6
72.03392	1.6
98.63976	1.5
105.07031	2.9
115.05392	1.6
133.06480	3.4
159.08128	3.1
161.05983	10.8
166.06226	7.6
175.07574	7.3
180.95329	1.4
181.08586	59.3
190.06250	22.4
191.07071	2.3
193.08609	1.7
199.07559	28.9
205.08594	45.1
217.49361	1.9
261.09122	2.0
275.10507	2.0
278.88092	1.5
289.08411	2.5
290.07999	6.4
297.99988	1.8
303.10147	3.4
304.05942	3.3
304.10913	12.5
305.08450	2.9
305.11618	22.0
307.13287	3.0
318.07584	10.2
319.08395	26.8
320.05414	4.8
320.09137	22.7
321.06223	2.9
321.11124	28.4
324.11938	2.3
325.12601	1.7
334.10724	53.2
335.11313	13.4
336.08585	16.4
336.13312	59.3
364.07953	3.5
367.15393	100.0
382.09250	3.4
427.17560	25.1
457.79639	1.7
622.98547	1.8
736.23596	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71862	3.6
53.03959	4.9
55.05527	5.7
58.98566	3.5
62.88255	3.6
67.05506	18.5
69.03429	3.8
73.02924	37.9
79.05483	7.5
79.64040	3.6
81.03421	26.2
81.07068	24.7
91.05514	7.3
93.07049	18.8
95.05006	5.1
95.08604	22.2
97.02897	7.9
99.04459	100.0
102.10284	4.3
105.07047	8.8
107.08577	20.3
109.10169	7.9
111.04491	5.6
119.08627	16.1
121.10113	8.4
127.03960	6.8
131.08542	9.1
133.10147	7.2
135.11671	7.3
147.11713	5.6
173.13232	6.0
176.23154	5.1
243.08679	25.1
261.22083	5.0
290.02255	5.1
320.09045	4.9
369.24130	7.0
387.25366	7.8
449.64719	4.8
467.27682	9.9
485.28894	16.9
648.20898	4.7
676.99213	4.8
734.42767	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62497	2.2
55.05504	2.7
55.37343	2.4
61.02935	6.1
65.20932	2.1
67.05504	10.6
69.07073	2.5
70.06589	5.0
70.88060	2.5
73.02911	4.8
80.48158	2.3
81.07043	11.2
85.02892	12.9
85.09637	2.8
91.03941	6.3
91.05463	3.2
93.07027	10.2
95.08633	3.7
97.02893	10.3
107.08615	6.5
109.10146	5.5
119.08601	4.0
121.10130	6.3
126.12790	3.8
127.03887	3.6
131.08609	3.2
133.10098	6.6
143.46272	2.9
182.15434	6.6
229.14294	4.0
274.20065	6.2
314.23380	3.4
334.10757	4.7
336.12433	4.6
354.26630	8.4
394.29416	12.6
412.30600	12.0
518.95740	2.9
544.08679	2.9
547.49536	3.3
574.35620	6.1
736.41187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86534	0.6
71.61877	0.7
77.40874	0.7
98.04728	0.7
100.14446	0.7
106.38636	0.8
137.06017	0.7
151.66052	0.6
159.56921	0.8
182.95036	0.7
234.86307	0.7
319.08560	0.9
320.09158	3.6
321.09772	1.0
332.12320	0.7
334.10858	1.5
336.12366	4.1
444.10980	3.4
458.12091	1.3
470.12387	1.3
472.10416	2.7
473.11307	1.0
484.13885	2.8
485.14993	1.4
486.11819	3.1
487.12872	1.1
488.13492	8.5
502.14978	9.0
645.17944	0.8
663.17249	1.0
679.19342	7.8
689.17401	0.9
693.20844	7.2
705.20905	8.2
707.18677	18.8
721.20068	17.3
722.20984	1.2
737.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86534	0.6
71.61877	0.7
77.40874	0.7
98.04728	0.7
100.14446	0.7
106.38636	0.8
137.06017	0.7
151.66052	0.6
159.56921	0.8
182.95036	0.7
234.86307	0.7
319.08560	0.9
320.09158	3.6
321.09772	1.0
332.12320	0.7
334.10858	1.5
336.12366	4.1
444.10980	3.4
458.12091	1.3
470.12387	1.3
472.10416	2.7
473.11307	1.0
484.13885	2.8
485.14993	1.4
486.11819	3.1
487.12872	1.1
488.13492	8.5
502.14978	9.0
645.17944	0.8
663.17249	1.0
679.19342	7.8
689.17401	0.9
693.20844	7.2
705.20905	8.2
707.18677	18.8
721.20068	17.3
722.20984	1.2
737.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.233
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95383	0.5
77.05779	0.5
80.07616	0.6
122.53991	0.6
143.91190	0.6
218.97092	0.6
291.50269	0.7
304.06213	0.6
319.08362	3.4
320.09048	3.2
321.09610	0.9
334.10703	5.9
335.10834	0.9
336.12225	2.4
397.13165	0.7
468.16873	1.4
469.14331	0.8
471.15405	5.0
481.13882	0.7
484.16006	0.8
485.17050	24.7
495.15555	2.1
497.17209	11.0
499.15009	25.7
500.56494	0.6
513.08899	1.3
513.16577	45.5
514.17322	17.6
529.19702	100.0
737.22974	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86534	0.6
71.61877	0.7
77.40874	0.7
98.04728	0.7
100.14446	0.7
106.38636	0.8
137.06017	0.7
151.66052	0.6
159.56921	0.8
182.95036	0.7
234.86307	0.7
319.08560	0.9
320.09158	3.6
321.09772	1.0
332.12320	0.7
334.10858	1.5
336.12366	4.1
444.10980	3.4
458.12091	1.3
470.12387	1.3
472.10416	2.7
473.11307	1.0
484.13885	2.8
485.14993	1.4
486.11819	3.1
487.12872	1.1
488.13492	8.5
502.14978	9.0
645.17944	0.8
663.17249	1.0
679.19342	7.8
689.17401	0.9
693.20844	7.2
705.20905	8.2
707.18677	18.8
721.20068	17.3
722.20984	1.2
737.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46332	3.4
63.15808	3.0
65.22830	3.2
69.03431	3.6
79.47469	3.3
89.43085	3.5
97.02873	3.9
97.03474	4.0
133.02878	6.8
139.73947	3.2
147.46815	3.6
152.53006	3.6
153.05441	4.2
160.05128	4.6
161.02376	8.4
161.05988	6.4
181.08635	26.1
189.05441	5.6
190.06245	19.2
191.07051	4.7
193.04944	16.9
203.06953	3.5
205.08624	31.6
217.04953	46.7
232.39491	4.0
245.89444	3.9
247.06030	15.4
268.11353	4.1
275.10687	4.3
277.08640	5.6
291.10193	15.2
303.10175	5.6
304.10995	5.6
306.12262	6.0
307.09589	9.0
309.10968	4.3
319.09320	19.3
320.09366	7.4
322.12030	5.6
329.13843	6.5
334.11099	15.4
335.08823	31.9
337.10587	8.9
341.13733	17.3
350.11548	18.4
351.12238	6.9
353.13965	13.2
365.13828	100.0
369.13382	45.9
383.14850	6.7
384.15610	55.7
491.16748	7.8
533.09344	4.2
543.16278	5.0
544.15704	4.2
557.17725	6.0
575.18884	20.3
719.22479	6.8
737.24750	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11302	3.5
69.03415	6.2
80.66833	3.4
85.02885	5.9
99.04439	16.3
110.20240	3.5
127.58526	3.5
147.52116	3.5
166.06287	5.9
181.08585	99.6
190.06308	4.2
205.08522	15.6
265.08563	5.2
279.10226	4.6
290.08310	5.2
293.08398	4.2
304.06219	7.8
307.08655	4.7
308.09085	23.7
318.07684	14.9
319.08276	63.8
320.08713	52.2
321.09277	7.4
323.11823	6.5
334.10718	100.0
335.11136	58.2
336.12003	26.1
363.08737	5.8
393.10635	4.7
394.73108	3.7
405.11218	4.0
435.12488	4.6
453.13229	5.0
465.13098	5.8
467.14859	5.0
483.15042	6.8
485.17001	18.0
497.16983	5.2
499.14944	26.3
513.16595	34.4
514.17291	18.0
529.19757	91.3
545.17664	7.0
557.17896	49.7
575.19012	89.9
689.22052	17.3
701.20917	5.4
719.23395	41.6
737.25488	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37096	0.7
81.11865	0.7
92.20988	0.8
123.17875	0.7
135.04462	0.9
137.06024	0.9
140.53851	0.7
160.03979	0.8
165.05499	5.1
175.03870	1.1
178.04993	21.5
206.04462	1.8
207.06467	1.2
216.63411	0.8
278.08057	3.7
280.06125	0.8
292.06137	1.3
306.07620	4.8
308.05527	3.1
308.09009	1.2
317.83292	0.7
319.04813	1.0
319.08249	2.5
320.09119	6.6
321.09622	1.5
322.10849	0.9
334.07043	3.1
334.10767	6.3
336.04688	1.3
336.12253	7.1
337.05780	7.7
337.12994	2.8
352.08160	100.0
352.14670	9.8
370.09204	54.4
439.25482	0.9
552.86365	0.9
577.82782	0.9
738.19244	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37096	0.7
81.11865	0.7
92.20988	0.8
123.17875	0.7
135.04462	0.9
137.06024	0.9
140.53851	0.7
160.03979	0.8
165.05499	5.1
175.03870	1.1
178.04993	21.5
206.04462	1.8
207.06467	1.2
216.63411	0.8
278.08057	3.7
280.06125	0.8
292.06137	1.3
306.07620	4.8
308.05527	3.1
308.09009	1.2
317.83292	0.7
319.04813	1.0
319.08249	2.5
320.09119	6.6
321.09622	1.5
322.10849	0.9
334.07043	3.1
334.10767	6.3
336.04688	1.3
336.12253	7.1
337.05780	7.7
337.12994	2.8
352.08160	100.0
352.14670	9.8
370.09204	54.4
439.25482	0.9
552.86365	0.9
577.82782	0.9
738.19244	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59346	0.5
63.10428	0.5
70.22821	0.5
73.64975	0.5
117.64713	0.6
118.73667	0.6
238.81342	0.6
259.84467	0.6
290.08130	9.9
292.09567	1.0
302.08267	3.5
304.06003	8.9
306.07294	0.8
318.07599	13.4
319.04971	1.0
319.08398	57.1
320.09012	4.6
321.09885	5.6
334.10730	100.0
335.11276	2.7
336.12219	16.1
336.15826	0.7
350.10388	1.1
615.41284	0.6
687.72156	0.6
738.25562	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74496	0.3
55.09510	0.3
58.06546	0.3
60.31622	0.3
91.28640	0.3
118.34402	0.3
174.05473	0.4
273.07721	0.3
290.08099	11.9
292.09622	0.6
302.08136	3.3
304.02783	0.5
304.06076	10.3
304.09464	0.6
305.06577	0.4
306.07468	0.4
318.07620	15.1
319.08380	61.1
320.05502	0.7
320.08929	4.9
321.09793	3.8
328.32172	0.3
334.10721	100.0
335.07733	2.6
335.11160	2.0
336.12256	14.8
337.12549	0.5
338.13901	0.5
350.10257	1.7
404.40259	0.4
465.17764	0.4
480.14459	1.5
576.18134	0.4
738.25464	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.253
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02877	0.4
290.05014	0.7
290.08087	11.6
302.08157	3.4
304.06003	8.7
305.06583	0.6
306.07684	0.4
318.07584	16.9
318.11115	0.8
319.08383	60.4
320.09113	8.0
321.09509	4.2
334.10718	100.0
335.11093	0.8
336.12183	3.1
337.12494	0.5
350.10031	0.4
437.96271	0.5
576.15369	3.2
692.27325	0.5
732.00446	0.6
738.25415	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05437	0.3
88.02361	0.4
138.42950	0.3
165.02977	0.4
204.90105	0.4
215.22816	0.4
235.01392	0.4
290.08139	10.2
302.08035	2.7
304.06061	9.4
318.07608	16.0
319.08392	58.3
320.09109	2.2
321.09662	0.6
334.10721	100.0
335.11050	1.5
336.12354	5.0
350.10068	0.9
396.97180	0.4
505.94485	0.5
570.89008	0.4
651.63098	0.4
738.25372	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23576	0.2
56.27280	0.2
70.74445	0.2
70.82259	0.2
72.87328	0.2
75.37536	0.2
96.10104	0.2
101.58062	0.2
105.11945	0.3
116.53416	0.2
133.35294	0.2
136.32501	0.2
136.58058	0.2
210.95131	0.2
224.02989	0.2
276.06314	0.4
290.05307	0.3
290.08087	9.7
302.08139	2.8
304.06003	7.6
318.07596	11.4
319.08374	50.7
320.09109	0.9
322.10660	0.3
334.10712	100.0
336.12512	0.2
738.27521	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23576	0.2
56.27280	0.2
70.74445	0.2
70.82259	0.2
72.87328	0.2
75.37536	0.2
96.10104	0.2
101.58062	0.2
105.11945	0.3
116.53416	0.2
133.35294	0.2
136.32501	0.2
136.58058	0.2
210.95131	0.2
224.02989	0.2
276.06314	0.4
290.05307	0.3
290.08087	9.7
302.08139	2.8
304.06003	7.6
318.07596	11.4
319.08374	50.7
320.09109	0.9
322.10660	0.3
334.10712	100.0
336.12512	0.2
738.27521	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
76.13580	0.4
92.20972	0.4
95.24951	0.3
101.86443	0.4
141.48981	0.3
155.70728	0.4
166.28345	0.4
170.34840	0.4
178.04922	1.5
207.06277	0.3
290.08069	9.2
302.08096	1.7
304.06052	8.6
312.61914	0.5
317.11316	0.4
318.07611	11.4
319.08389	49.0
320.09070	5.0
321.09131	0.4
334.10727	100.0
335.10962	1.5
336.11920	2.2
337.06088	0.6
352.08121	6.0
370.09247	2.5
619.45526	0.4
676.20544	0.5
738.27600	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01225	0.4
56.50291	0.3
72.30486	0.3
90.15937	0.4
112.41834	0.4
134.95650	0.4
139.93987	0.4
290.08087	9.2
298.43509	0.4
302.08044	1.7
304.05981	8.0
318.07565	10.3
319.08386	51.3
319.71158	0.4
320.09171	3.1
334.10727	100.0
335.11066	0.5
336.11880	0.5
355.16818	0.3
358.22214	0.4
619.85565	0.4
738.27618	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82474	0.4
58.15098	0.5
63.57955	0.6
67.09398	0.4
100.37659	0.5
110.40867	0.5
112.79525	0.5
124.89024	0.5
134.40715	0.5
137.37589	0.5
178.04922	4.4
185.66235	0.5
206.04483	0.7
235.41270	0.6
272.60287	0.5
275.74957	0.6
277.98196	0.6
290.08118	8.5
302.08084	2.5
304.06021	6.5
318.07556	9.0
319.08377	49.4
320.09048	4.0
334.10706	100.0
336.12234	2.4
337.05798	1.0
352.08105	19.8
370.09189	10.2
370.13467	0.7
388.20120	0.5
493.69986	0.6
575.96765	0.6
655.07910	0.6
738.27637	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37838	0.6
53.41526	0.7
61.85655	0.7
62.22559	0.6
92.21526	1.6
104.11345	0.9
180.83366	0.9
210.99844	1.0
224.17986	0.9
290.08035	9.6
302.08023	1.3
304.05939	9.1
318.07477	11.2
319.04645	2.1
319.08377	59.2
320.08987	1.7
321.09235	0.8
322.10873	0.9
334.10706	100.0
335.11169	4.1
336.11996	3.8
390.39236	0.9
738.27759	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51485	0.3
63.32254	0.3
64.04460	0.3
64.86547	0.2
72.44327	0.3
76.92232	0.3
102.59188	0.3
137.72768	0.3
150.78938	0.3
181.08511	0.5
253.25932	0.3
286.00598	0.3
290.07910	0.4
290.62503	0.4
292.09641	2.4
304.06219	0.3
308.09363	0.5
308.12866	1.6
318.07626	0.6
319.08276	2.3
320.09143	13.2
320.12766	0.6
321.09903	5.5
322.10779	0.7
334.10764	6.4
335.11276	1.5
336.12283	100.0
338.13806	0.5
346.52679	0.4
367.15421	1.3
500.16699	0.4
514.16809	0.4
530.19849	1.5
714.40692	0.4
738.29578	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00116	0.6
55.92311	0.7
58.06609	29.2
67.84032	0.7
71.52335	0.7
72.37395	0.8
83.55444	0.7
91.05493	0.9
101.70003	0.8
105.07079	1.3
105.91893	0.8
136.05200	1.1
137.94713	0.8
151.07541	37.8
160.05247	1.7
161.06007	1.6
175.07545	7.9
177.09091	1.6
199.07599	4.8
228.03250	0.8
229.10208	1.4
243.08057	1.9
245.09712	1.1
247.11395	1.1
249.09163	0.8
257.09650	7.0
260.08295	5.6
271.07654	5.3
274.09973	1.5
275.07468	1.4
275.10617	17.9
277.08685	3.4
277.12180	1.1
279.10345	1.1
285.09204	4.8
288.07761	7.6
289.08655	1.2
291.10254	1.1
294.08978	5.0
303.10165	22.2
305.11792	3.1
306.12527	3.1
309.11383	8.8
311.12936	3.1
317.11996	0.9
320.09509	1.9
334.10788	4.9
335.12912	1.2
336.12082	1.9
337.14331	1.5
366.08331	1.0
693.26947	1.0
738.32764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	35.6
63.07188	0.9
83.18990	0.9
90.20914	0.8
92.21499	2.0
107.04988	1.2
109.10189	1.7
151.07541	35.1
160.05263	3.4
161.06006	1.6
165.30594	1.2
175.07556	7.9
199.07587	1.7
205.09242	1.0
229.10201	3.9
243.08139	2.0
247.11504	1.3
257.09662	8.7
260.08243	7.9
271.07626	5.2
274.09924	1.9
275.10672	27.5
277.12305	1.1
285.09030	2.1
287.10461	1.2
288.07846	11.1
291.10236	2.0
302.09256	1.7
303.10162	32.8
304.11084	1.2
305.11810	4.1
306.12527	3.9
311.12811	1.4
320.09451	4.1
322.10815	2.0
334.10794	4.1
336.12494	1.6
393.11121	1.4
738.32697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	35.6
63.07188	0.9
83.18990	0.9
90.20914	0.8
92.21499	2.0
107.04988	1.2
109.10189	1.7
151.07541	35.1
160.05263	3.4
161.06006	1.6
165.30594	1.2
175.07556	7.9
199.07587	1.7
205.09242	1.0
229.10201	3.9
243.08139	2.0
247.11504	1.3
257.09662	8.7
260.08243	7.9
271.07626	5.2
274.09924	1.9
275.10672	27.5
277.12305	1.1
285.09030	2.1
287.10461	1.2
288.07846	11.1
291.10236	2.0
302.09256	1.7
303.10162	32.8
304.11084	1.2
305.11810	4.1
306.12527	3.9
311.12811	1.4
320.09451	4.1
322.10815	2.0
334.10794	4.1
336.12494	1.6
393.11121	1.4
738.32697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	20.3
60.10292	2.4
60.53250	2.5
61.08963	2.1
62.65178	2.2
81.07069	5.5
95.08565	5.3
109.10176	12.2
114.17303	2.7
151.07552	12.0
153.12770	14.8
161.06030	4.5
199.07437	5.2
201.09143	5.9
213.09138	6.5
215.10750	16.1
227.10710	3.6
229.08475	4.6
247.09741	3.9
255.13742	20.0
269.15387	33.1
294.08585	3.7
297.14825	15.3
309.11130	5.2
315.15887	100.0
320.09256	11.2
334.10660	5.0
336.12213	6.1
345.17377	3.4
421.56851	3.4
437.26755	7.0
455.27966	49.0
738.32721	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.0
55.05476	4.3
67.05509	20.7
69.03401	6.3
69.07066	5.4
71.04963	4.8
73.02914	40.7
79.05492	7.3
81.03403	12.3
81.07072	24.4
91.05484	5.9
92.71048	5.1
93.07024	9.8
95.08595	27.9
97.02892	19.6
99.04455	100.0
107.08601	6.2
109.10124	9.0
115.70061	5.0
131.08611	5.8
133.10152	8.9
161.39902	6.7
243.08571	40.4
259.93320	5.4
261.46115	5.9
303.26660	5.7
337.95737	5.4
371.25461	6.0
389.26727	9.8
407.28110	5.6
469.29260	7.7
471.82315	6.9
487.30411	21.0
505.31140	9.1
738.40485	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.05505	1.1
57.03432	1.0
67.05505	6.0
67.15122	0.4
69.03439	5.4
69.07069	2.6
70.89762	0.5
71.01338	0.5
71.04977	1.9
73.02514	1.0
73.02917	29.2
74.50768	0.5
79.05502	4.4
81.03423	14.9
81.07061	7.3
83.05001	1.1
83.08627	0.6
85.02917	4.8
87.04464	3.8
88.14893	0.5
91.05447	3.6
93.07040	9.0
95.04942	1.2
95.08621	7.4
97.02890	8.2
97.06522	0.8
99.04455	100.0
105.07025	4.1
106.09290	0.5
107.08584	5.0
109.02890	2.7
109.06509	1.0
109.10133	3.8
111.04446	2.6
117.05491	0.9
117.07032	1.3
119.08585	4.4
121.10134	4.5
127.03908	11.3
129.07005	0.6
129.77310	0.6
131.08566	2.6
133.10110	4.0
135.07918	0.6
135.11647	4.0
141.05461	4.6
143.08574	0.8
145.10135	2.6
147.11702	1.1
149.13243	1.2
159.11723	0.9
169.10048	0.9
171.06470	0.6
171.11696	0.6
173.13261	0.7
175.11319	0.5
175.14780	0.5
199.14850	0.6
201.12799	0.7
204.87056	0.5
207.06531	0.6
214.67633	0.5
215.14519	0.6
220.04538	0.5
235.02473	0.6
243.08623	24.8
261.22092	3.7
277.21912	0.5
351.22916	2.5
369.24362	4.6
387.25238	3.7
388.65875	0.5
405.26218	3.5
420.94339	0.5
423.27475	0.7
436.18701	0.5
467.27792	0.6
485.29102	0.9
503.29794	2.0
557.38855	0.8
565.31714	5.6
583.32751	8.0
601.33710	5.8
619.34583	0.8
655.18842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.05505	1.1
57.03432	1.0
67.05505	6.0
67.15122	0.4
69.03439	5.4
69.07069	2.6
70.89762	0.5
71.01338	0.5
71.04977	1.9
73.02514	1.0
73.02917	29.2
74.50768	0.5
79.05502	4.4
81.03423	14.9
81.07061	7.3
83.05001	1.1
83.08627	0.6
85.02917	4.8
87.04464	3.8
88.14893	0.5
91.05447	3.6
93.07040	9.0
95.04942	1.2
95.08621	7.4
97.02890	8.2
97.06522	0.8
99.04455	100.0
105.07025	4.1
106.09290	0.5
107.08584	5.0
109.02890	2.7
109.06509	1.0
109.10133	3.8
111.04446	2.6
117.05491	0.9
117.07032	1.3
119.08585	4.4
121.10134	4.5
127.03908	11.3
129.07005	0.6
129.77310	0.6
131.08566	2.6
133.10110	4.0
135.07918	0.6
135.11647	4.0
141.05461	4.6
143.08574	0.8
145.10135	2.6
147.11702	1.1
149.13243	1.2
159.11723	0.9
169.10048	0.9
171.06470	0.6
171.11696	0.6
173.13261	0.7
175.11319	0.5
175.14780	0.5
199.14850	0.6
201.12799	0.7
204.87056	0.5
207.06531	0.6
214.67633	0.5
215.14519	0.6
220.04538	0.5
235.02473	0.6
243.08623	24.8
261.22092	3.7
277.21912	0.5
351.22916	2.5
369.24362	4.6
387.25238	3.7
388.65875	0.5
405.26218	3.5
420.94339	0.5
423.27475	0.7
436.18701	0.5
467.27792	0.6
485.29102	0.9
503.29794	2.0
557.38855	0.8
565.31714	5.6
583.32751	8.0
601.33710	5.8
619.34583	0.8
655.18842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2444
Annotation	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
56.58271	0.2
57.03426	0.3
71.04998	3.6
83.04993	0.3
85.02909	3.7
87.52016	0.2
92.20988	0.3
94.92901	0.2
106.51297	0.2
109.02872	0.4
129.05431	0.4
153.40550	0.2
153.85149	0.3
178.90941	0.2
182.95061	0.2
237.52399	0.3
242.05525	0.4
243.63571	0.2
259.34042	0.2
270.05161	1.4
285.07553	100.0
447.12827	1.2
455.90924	0.3
593.18610	18.3
597.08478	0.2
739.24091	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
87.69576	0.7
90.19215	0.7
93.98510	0.7
125.50813	0.8
167.06973	1.0
176.06993	1.3
189.07924	1.8
216.70100	0.8
278.08066	1.3
280.09680	1.0
281.10471	1.3
291.08914	1.2
292.09665	11.3
293.10461	0.8
294.08215	0.9
297.11032	0.9
308.09100	1.9
309.09885	13.7
310.07413	1.3
310.10727	27.9
312.08737	10.7
320.09128	1.8
322.10724	1.2
326.10135	4.2
327.10992	23.9
334.10574	1.0
342.13330	100.0
352.11707	3.1
370.12814	69.7
404.89725	0.8
409.73938	0.9
593.61566	0.9
739.23877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34235	0.8
51.74630	1.1
53.03947	1.1
55.01611	1.4
55.01882	34.2
55.45037	1.1
57.03432	1.2
58.06606	1.0
67.05501	2.5
68.94612	1.0
69.03426	2.4
71.05000	2.0
81.03423	7.7
81.07047	1.7
85.02911	4.8
85.06553	7.7
91.05483	1.4
93.07019	8.0
95.08609	5.0
97.02896	8.2
98.40749	1.1
99.04462	25.7
105.07048	5.7
107.08617	7.1
109.02873	13.8
109.10158	2.0
119.04961	4.6
119.08572	2.5
121.10146	10.2
127.03930	11.9
127.81744	1.4
131.08545	6.9
133.10155	4.6
135.11650	1.6
143.08548	4.5
145.10115	13.7
147.04411	88.4
147.11703	6.2
155.08504	1.6
157.10133	7.3
159.11647	7.9
161.13234	1.3
165.05453	9.6
171.11707	5.5
173.05980	2.3
173.13223	8.1
181.10191	2.0
183.11674	1.5
185.13251	2.0
189.12808	1.7
191.07056	14.1
197.13255	4.4
199.06042	7.9
199.14842	2.6
203.14264	1.7
209.13232	2.3
211.14880	2.1
213.16353	11.8
215.14374	2.0
217.07068	4.8
223.14786	4.9
225.16273	1.3
227.17909	9.4
237.16457	2.3
239.17871	2.3
245.08043	19.2
253.19511	8.3
255.17505	1.3
255.21046	4.7
263.09143	10.3
279.21097	14.6
285.07544	1.8
286.07803	1.7
297.22144	100.0
315.23114	9.9
320.09027	1.5
321.09790	2.5
323.72433	1.2
335.11194	1.6
336.12286	9.1
337.12677	2.4
371.11139	1.9
389.12189	8.2
407.13385	29.3
703.33722	2.1
721.35260	1.7
739.24567	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17469	0.7
59.16707	0.7
61.42369	0.7
64.36406	0.6
68.85989	0.7
69.12440	0.8
69.91292	0.6
99.04370	0.7
147.04431	1.2
162.05516	6.4
165.05489	8.8
175.03857	1.3
207.06439	4.0
218.24142	0.8
239.00433	0.9
295.08289	1.1
310.07013	3.2
324.05051	1.3
326.10184	10.1
336.12119	1.5
339.07404	10.1
351.36945	1.0
354.09702	100.0
372.10776	59.5
740.21442	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84745	0.3
69.82433	0.3
276.06439	0.7
290.08087	11.3
302.08047	3.8
304.06082	9.4
318.03882	0.4
318.07568	12.5
319.08380	59.9
320.09122	2.4
334.10718	100.0
335.11307	0.8
336.12225	1.7
344.77570	0.3
349.20184	0.4
350.10205	2.1
411.05338	0.4
740.26947	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39665	0.5
58.86482	0.5
60.98264	0.5
61.43213	0.5
61.43520	0.5
62.64333	0.4
62.69031	0.4
62.84024	0.5
85.36659	0.5
99.04626	0.6
290.08099	11.4
293.60867	0.6
302.08307	3.7
304.05957	8.6
305.07010	0.8
318.07581	12.8
319.08389	59.5
320.09204	12.9
321.09900	1.0
334.10715	100.0
335.07971	1.3
335.11603	6.4
336.12497	3.5
350.10330	3.1
364.08136	0.7
552.75415	0.6
576.89941	0.6
740.26959	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30004	0.8
84.54118	0.8
90.54627	0.8
111.70000	0.8
136.41869	1.0
184.59244	0.8
197.49014	1.2
207.46759	0.8
226.86142	0.8
290.08163	9.2
302.08081	1.7
304.05975	11.3
318.07657	13.4
319.04660	2.1
319.08411	62.8
320.09149	1.7
334.10733	100.0
335.11417	1.1
336.12186	1.8
350.10446	1.4
558.51892	1.0
740.27057	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2675
Annotation	Lissoclinamide 5
Peak:m/z	Relative Intensity
66.28626	0.7
69.44053	0.8
70.71650	0.7
92.08178	0.8
114.09198	1.6
121.85483	0.8
127.72128	0.9
174.21904	0.8
256.24817	0.8
290.08121	11.0
302.08109	2.8
304.06091	8.7
318.07623	12.5
319.08395	57.8
320.09158	9.1
322.11023	1.3
334.10718	100.0
335.11591	5.3
336.12433	5.5
350.10352	1.1
435.69421	0.8
512.78058	1.0
540.36133	0.9
740.27032	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2681
Annotation	Lissoclinamide 5
Peak:m/z	Relative Intensity
54.63439	0.3
69.89398	0.3
82.98505	0.3
117.31172	0.4
119.24902	0.4
139.23129	0.4
161.53784	0.4
181.04900	0.7
190.04939	0.5
246.50639	0.4
272.87103	0.4
278.08115	0.8
290.08066	8.7
292.09647	1.9
302.07996	1.8
304.06006	9.4
305.06375	0.8
306.07452	0.6
313.56992	0.4
318.07629	13.5
319.08386	59.8
320.08981	8.7
321.09863	6.1
322.10550	0.7
323.11566	0.5
324.12451	1.3
334.10730	100.0
335.11185	4.4
336.12271	24.7
337.12912	0.7
338.13837	0.9
350.10422	0.4
352.15326	0.6
464.14944	0.5
609.22205	0.4
740.27063	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59521	0.8
58.06603	1.5
87.04845	0.8
88.41280	0.9
102.75801	0.8
105.07027	4.1
108.31345	1.0
115.05511	0.9
125.32941	0.8
130.21518	0.8
131.04926	0.9
133.06494	3.9
148.05156	1.2
159.08035	2.0
160.05252	1.1
161.05972	4.9
163.07631	1.0
163.30389	0.9
166.06229	10.0
175.07549	5.1
181.08588	46.9
190.06271	16.6
193.08508	1.5
199.07545	23.2
205.06627	1.4
205.08582	35.0
205.10381	1.7
206.09402	1.7
227.71339	0.9
267.69672	1.0
275.11041	1.2
276.11411	5.0
288.07748	1.0
289.08521	5.9
290.08533	1.8
292.10977	1.4
293.11606	2.1
303.10040	1.9
304.11014	9.7
305.08069	3.7
305.11694	17.0
306.07666	1.1
307.13095	3.6
318.07513	1.4
319.08301	9.4
320.09296	8.3
321.11264	24.6
334.10748	16.8
335.13034	10.9
336.13577	51.6
337.10648	4.7
338.13757	1.1
339.16162	1.2
352.12701	1.1
367.15393	100.0
381.13193	3.4
415.74908	1.0
427.17538	22.0
453.15070	0.9
467.14279	1.0
482.16550	1.2
497.18158	7.9
500.16965	2.0
524.17072	3.7
528.16437	4.4
529.16956	1.7
542.17810	4.6
544.19733	1.2
556.19006	2.2
652.90771	0.9
657.17151	1.0
740.27130	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.2
58.06598	0.4
69.03419	2.5
71.04995	0.7
73.02922	1.3
77.71327	0.5
81.03429	8.6
83.04962	0.8
85.02904	6.0
97.02883	2.8
99.04453	100.0
101.06023	3.0
109.02884	6.7
117.05506	5.6
126.32652	0.6
127.03908	7.5
141.05493	4.5
144.49420	0.5
145.04985	2.2
165.09099	0.6
173.04483	0.6
175.03928	0.9
181.08563	0.8
190.08629	4.9
192.10100	0.6
207.06479	3.2
209.08141	0.8
225.07567	4.6
241.10739	1.1
243.08577	3.2
256.30209	0.5
259.11621	0.8
261.09622	8.8
269.98712	0.5
319.08246	0.8
325.12756	7.3
325.57346	0.6
334.10767	2.0
336.12054	0.6
345.15451	2.1
352.15170	0.6
354.16968	0.8
361.14911	9.5
372.17831	0.9
405.13788	1.8
503.17822	2.2
598.98285	0.7
603.22626	0.7
740.29163	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34861	2.3
88.63837	2.6
92.20900	2.8
110.73205	2.9
172.03983	11.7
190.04980	100.0
199.59894	3.3
222.71214	2.8
450.01852	3.1
740.35388	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15622	3.7
64.90183	3.6
87.92957	4.0
94.65039	3.9
101.43112	4.2
168.47537	4.4
310.07025	22.4
310.97626	4.2
325.09448	100.0
325.13223	5.9
340.11816	94.6
474.85135	5.1
489.43311	5.1
533.48248	4.8
740.39838	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37010	0.8
53.03947	6.7
60.38328	0.9
62.43901	1.2
63.52552	1.0
67.05506	6.7
69.03434	6.1
69.07073	2.3
69.66235	0.9
71.04981	1.0
73.02919	27.5
78.26271	0.9
79.05529	1.6
81.03426	15.1
81.07065	10.0
82.86465	1.0
83.08601	1.2
85.02900	5.7
87.04465	2.1
93.07033	4.6
95.08596	8.0
95.80840	0.9
97.02880	8.9
99.04454	100.0
105.07055	2.2
107.08634	4.1
108.23171	0.9
108.76358	1.1
109.02864	2.5
109.10159	4.8
111.04495	1.9
121.06513	4.2
121.10127	1.4
123.11682	1.2
127.03903	11.2
133.10095	1.8
135.11761	1.7
141.05446	2.5
225.07625	1.0
243.08601	30.1
263.23572	1.5
353.24753	2.1
371.25638	4.4
389.26761	2.5
407.27710	4.7
505.31601	2.0
567.33160	5.2
576.98749	1.3
585.34106	6.9
603.35095	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
57.03442	4.0
61.02900	1.4
63.80463	1.4
64.92072	1.5
67.02995	1.4
67.05512	25.8
69.07059	10.6
71.04982	1.6
79.05495	28.2
81.07061	38.0
83.08611	9.6
91.05463	7.1
92.21478	2.6
93.07038	34.8
95.04960	2.2
95.08602	51.0
97.02891	2.9
97.06506	3.2
97.10172	3.2
99.04434	1.7
105.07039	10.4
107.04961	6.7
107.08601	26.8
109.10178	14.8
111.23857	1.5
117.07015	3.5
119.08532	13.6
121.06507	2.0
121.10151	24.1
123.11667	2.1
125.06028	2.7
131.08524	3.9
133.10107	6.9
135.11697	72.4
139.07533	1.9
145.10118	29.4
147.11705	3.4
149.13245	2.1
159.11768	1.7
163.11174	100.0
181.12178	14.7
227.12782	60.7
243.21178	2.0
261.22144	3.7
283.15387	81.7
309.46100	1.9
335.25806	65.5
446.16071	1.6
543.36804	99.8
546.37396	1.9
553.00354	1.7
561.37189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37010	0.8
53.03947	6.7
60.38328	0.9
62.43901	1.2
63.52552	1.0
67.05506	6.7
69.03434	6.1
69.07073	2.3
69.66235	0.9
71.04981	1.0
73.02919	27.5
78.26271	0.9
79.05529	1.6
81.03426	15.1
81.07065	10.0
82.86465	1.0
83.08601	1.2
85.02900	5.7
87.04465	2.1
93.07033	4.6
95.08596	8.0
95.80840	0.9
97.02880	8.9
99.04454	100.0
105.07055	2.2
107.08634	4.1
108.23171	0.9
108.76358	1.1
109.02864	2.5
109.10159	4.8
111.04495	1.9
121.06513	4.2
121.10127	1.4
123.11682	1.2
127.03903	11.2
133.10095	1.8
135.11761	1.7
141.05446	2.5
225.07625	1.0
243.08601	30.1
263.23572	1.5
353.24753	2.1
371.25638	4.4
389.26761	2.5
407.27710	4.7
505.31601	2.0
567.33160	5.2
576.98749	1.3
585.34106	6.9
603.35095	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40357	2.3
55.05519	5.7
56.78907	2.9
57.03444	5.3
61.03829	2.9
63.00934	2.8
65.87870	3.1
67.05511	33.8
69.07088	7.0
79.05495	27.6
81.07051	42.9
81.31573	2.7
83.04977	3.4
83.08636	6.8
91.05482	5.5
92.98888	2.5
93.07037	36.1
95.04994	5.5
95.08599	57.4
97.02871	3.4
99.04433	5.0
105.07060	4.9
107.08601	30.4
109.10201	12.1
117.07062	12.2
119.08603	11.7
120.86069	2.7
121.06541	4.7
121.10143	29.7
130.07678	3.0
131.08604	2.9
133.10202	3.9
135.11678	65.3
140.73167	2.6
145.10107	33.2
160.43143	2.8
163.11142	87.4
179.17461	3.1
181.12260	16.5
227.12744	57.1
234.86079	3.0
283.15375	78.5
303.41666	3.4
335.25778	72.6
346.99725	3.2
455.52997	3.4
543.36786	100.0
561.37994	3.7
740.34186	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30166	1.3
96.32619	1.7
112.40897	1.8
123.62663	1.6
128.53799	1.4
199.24059	1.6
222.74672	1.8
238.32912	1.7
296.41617	1.6
390.07358	100.0
546.58551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07454	0.2
57.18052	0.2
59.00294	0.2
64.99155	0.2
71.68674	0.2
75.46056	0.2
77.24899	0.2
97.33219	0.2
98.57304	0.2
99.04430	0.3
109.10159	0.2
121.06583	0.2
160.62631	0.2
292.09650	7.5
304.09750	1.2
306.07562	2.7
307.03763	0.2
319.08344	0.3
320.05423	0.4
320.09146	9.5
321.09933	25.7
322.10339	0.3
334.10587	0.4
336.12274	100.0
337.12653	1.0
338.33923	0.2
402.23053	0.2
459.70602	0.2
482.53815	0.2
741.26318	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16270	1.4
61.00011	1.5
122.23544	1.8
147.04472	2.3
149.06018	3.7
153.05478	2.1
155.14322	1.7
167.07071	3.7
177.05521	3.5
182.09435	6.6
191.07063	11.0
192.07927	3.5
206.38992	1.9
209.08121	2.7
210.08971	2.8
212.66460	1.8
219.42131	1.9
236.98439	2.0
280.77200	2.0
290.08020	2.3
293.06903	9.4
307.04654	2.0
307.08356	4.3
308.05557	10.0
308.09030	49.0
318.07950	2.1
319.08493	10.6
320.09262	3.4
321.10013	2.5
322.07083	13.9
322.10507	2.4
334.07465	2.6
334.10696	17.8
336.08606	17.1
341.67010	1.8
364.08170	7.1
498.11783	20.9
512.13031	2.1
513.14496	7.4
516.12946	9.9
524.13782	3.0
542.14789	2.5
544.16376	2.5
545.16827	10.8
742.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03395	0.6
60.68703	0.8
60.94371	0.6
62.87904	0.7
62.94804	0.8
65.13342	0.6
66.84354	0.7
67.87579	0.6
70.22943	0.7
82.63695	0.8
124.92306	0.7
125.20340	0.7
137.43102	0.7
160.35768	0.8
187.80859	0.8
278.08090	8.6
306.07565	13.6
306.10709	0.8
307.08588	2.9
318.07706	1.5
319.08606	4.0
320.09357	4.2
321.09946	1.2
323.11432	1.1
334.10953	5.0
335.11322	0.8
336.12268	8.2
362.13745	2.5
374.13831	1.0
451.14270	0.9
466.16766	1.7
472.17599	1.5
480.18280	2.7
481.19016	3.1
482.19687	4.1
484.17780	3.7
486.15799	1.8
487.16544	1.6
498.19220	4.3
499.20203	7.0
500.17282	3.4
501.18015	5.6
502.18637	16.8
512.17322	1.1
513.17670	0.8
514.18927	9.2
516.20453	21.3
526.18604	17.1
528.19830	1.3
529.17487	1.3
530.18207	5.2
531.18988	1.4
532.19476	1.5
544.19519	19.8
546.21014	6.1
558.21295	6.5
742.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03395	0.6
60.68703	0.8
60.94371	0.6
62.87904	0.7
62.94804	0.8
65.13342	0.6
66.84354	0.7
67.87579	0.6
70.22943	0.7
82.63695	0.8
124.92306	0.7
125.20340	0.7
137.43102	0.7
160.35768	0.8
187.80859	0.8
278.08090	8.6
306.07565	13.6
306.10709	0.8
307.08588	2.9
318.07706	1.5
319.08606	4.0
320.09357	4.2
321.09946	1.2
323.11432	1.1
334.10953	5.0
335.11322	0.8
336.12268	8.2
362.13745	2.5
374.13831	1.0
451.14270	0.9
466.16766	1.7
472.17599	1.5
480.18280	2.7
481.19016	3.1
482.19687	4.1
484.17780	3.7
486.15799	1.8
487.16544	1.6
498.19220	4.3
499.20203	7.0
500.17282	3.4
501.18015	5.6
502.18637	16.8
512.17322	1.1
513.17670	0.8
514.18927	9.2
516.20453	21.3
526.18604	17.1
528.19830	1.3
529.17487	1.3
530.18207	5.2
531.18988	1.4
532.19476	1.5
544.19519	19.8
546.21014	6.1
558.21295	6.5
742.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03395	0.6
60.68703	0.8
60.94371	0.6
62.87904	0.7
62.94804	0.8
65.13342	0.6
66.84354	0.7
67.87579	0.6
70.22943	0.7
82.63695	0.8
124.92306	0.7
125.20340	0.7
137.43102	0.7
160.35768	0.8
187.80859	0.8
278.08090	8.6
306.07565	13.6
306.10709	0.8
307.08588	2.9
318.07706	1.5
319.08606	4.0
320.09357	4.2
321.09946	1.2
323.11432	1.1
334.10953	5.0
335.11322	0.8
336.12268	8.2
362.13745	2.5
374.13831	1.0
451.14270	0.9
466.16766	1.7
472.17599	1.5
480.18280	2.7
481.19016	3.1
482.19687	4.1
484.17780	3.7
486.15799	1.8
487.16544	1.6
498.19220	4.3
499.20203	7.0
500.17282	3.4
501.18015	5.6
502.18637	16.8
512.17322	1.1
513.17670	0.8
514.18927	9.2
516.20453	21.3
526.18604	17.1
528.19830	1.3
529.17487	1.3
530.18207	5.2
531.18988	1.4
532.19476	1.5
544.19519	19.8
546.21014	6.1
558.21295	6.5
742.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03395	0.6
60.68703	0.8
60.94371	0.6
62.87904	0.7
62.94804	0.8
65.13342	0.6
66.84354	0.7
67.87579	0.6
70.22943	0.7
82.63695	0.8
124.92306	0.7
125.20340	0.7
137.43102	0.7
160.35768	0.8
187.80859	0.8
278.08090	8.6
306.07565	13.6
306.10709	0.8
307.08588	2.9
318.07706	1.5
319.08606	4.0
320.09357	4.2
321.09946	1.2
323.11432	1.1
334.10953	5.0
335.11322	0.8
336.12268	8.2
362.13745	2.5
374.13831	1.0
451.14270	0.9
466.16766	1.7
472.17599	1.5
480.18280	2.7
481.19016	3.1
482.19687	4.1
484.17780	3.7
486.15799	1.8
487.16544	1.6
498.19220	4.3
499.20203	7.0
500.17282	3.4
501.18015	5.6
502.18637	16.8
512.17322	1.1
513.17670	0.8
514.18927	9.2
516.20453	21.3
526.18604	17.1
528.19830	1.3
529.17487	1.3
530.18207	5.2
531.18988	1.4
532.19476	1.5
544.19519	19.8
546.21014	6.1
558.21295	6.5
742.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96136	0.6
65.69225	0.6
69.03458	0.6
69.08336	0.6
69.95512	0.6
85.02911	2.3
99.04462	14.1
119.05000	1.1
147.04472	1.4
175.03922	7.2
178.06310	0.7
205.05064	0.8
207.06537	10.8
223.06253	0.6
236.56932	0.6
278.08124	13.5
290.08136	0.7
294.11423	0.7
304.09769	0.7
306.07629	22.9
307.08533	3.8
308.09161	1.2
319.08615	3.1
320.09296	3.3
321.09760	0.6
323.11844	0.8
334.10651	6.0
335.11298	1.0
336.12241	4.2
350.13852	0.9
362.14056	3.7
401.26984	1.3
425.81799	0.6
434.82294	0.6
437.16336	0.8
438.17484	0.8
452.18927	0.6
455.17636	0.7
466.16571	5.5
467.16876	0.7
468.18274	2.7
480.18182	3.5
481.19077	3.8
482.19775	4.6
483.16351	0.9
484.17896	2.8
496.17914	1.2
498.19669	6.2
499.20181	9.3
500.17215	2.1
501.18222	0.8
502.18524	14.4
502.24719	0.8
511.16553	2.5
512.17383	2.4
514.18976	10.1
516.20459	9.7
526.18634	19.0
528.18878	0.9
529.17328	1.4
530.18018	8.9
531.19043	2.3
543.18713	1.3
544.19653	24.7
546.21393	3.7
558.21301	6.9
742.28516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
58.06605	2.2
63.21868	0.9
69.03432	1.8
81.03423	9.4
85.02908	18.7
91.05458	3.9
97.02892	1.8
99.04459	100.0
109.02885	1.4
119.04945	12.9
126.22028	0.9
127.03921	5.1
132.20499	0.9
140.57500	0.8
145.04958	1.1
147.04448	12.7
150.46500	0.9
157.03958	1.7
169.89374	1.1
175.03903	49.0
177.05457	1.7
178.06242	4.5
178.74147	1.0
179.07004	1.3
181.04991	1.2
181.08620	5.9
187.33588	1.0
192.07707	1.3
193.08630	1.7
194.05817	1.0
195.10213	1.6
205.04965	10.2
205.08507	0.9
206.09467	1.1
207.06528	90.4
207.09778	2.6
209.08138	1.5
223.05974	1.3
227.07056	1.2
231.06447	4.2
235.09521	1.4
242.09415	1.2
247.09589	4.2
259.09647	1.9
261.09744	5.9
271.09680	1.1
277.10950	1.1
278.08069	1.3
281.38483	1.0
287.40601	1.2
292.47232	1.3
306.07913	1.2
308.09009	1.5
319.08426	3.7
320.09106	5.9
321.09586	1.6
334.10660	8.4
335.11188	1.9
336.12146	5.1
338.13873	1.0
374.28201	1.1
399.14258	1.7
449.14282	1.5
483.14905	6.1
487.16159	1.2
623.20892	1.6
641.21570	1.3
742.25281	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
58.06605	2.2
63.21868	0.9
69.03432	1.8
81.03423	9.4
85.02908	18.7
91.05458	3.9
97.02892	1.8
99.04459	100.0
109.02885	1.4
119.04945	12.9
126.22028	0.9
127.03921	5.1
132.20499	0.9
140.57500	0.8
145.04958	1.1
147.04448	12.7
150.46500	0.9
157.03958	1.7
169.89374	1.1
175.03903	49.0
177.05457	1.7
178.06242	4.5
178.74147	1.0
179.07004	1.3
181.04991	1.2
181.08620	5.9
187.33588	1.0
192.07707	1.3
193.08630	1.7
194.05817	1.0
195.10213	1.6
205.04965	10.2
205.08507	0.9
206.09467	1.1
207.06528	90.4
207.09778	2.6
209.08138	1.5
223.05974	1.3
227.07056	1.2
231.06447	4.2
235.09521	1.4
242.09415	1.2
247.09589	4.2
259.09647	1.9
261.09744	5.9
271.09680	1.1
277.10950	1.1
278.08069	1.3
281.38483	1.0
287.40601	1.2
292.47232	1.3
306.07913	1.2
308.09009	1.5
319.08426	3.7
320.09106	5.9
321.09586	1.6
334.10660	8.4
335.11188	1.9
336.12146	5.1
338.13873	1.0
374.28201	1.1
399.14258	1.7
449.14282	1.5
483.14905	6.1
487.16159	1.2
623.20892	1.6
641.21570	1.3
742.25281	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.0
53.05262	1.2
58.06594	2.4
58.58965	1.3
65.03943	1.5
65.79891	1.3
68.43384	1.4
69.03431	6.2
73.02901	3.0
81.03413	12.7
85.02906	41.6
87.04483	2.1
91.05466	1.9
97.02865	7.2
99.04458	100.0
107.04985	1.7
119.04955	7.3
121.06486	1.8
127.03921	8.9
140.04645	1.7
145.02829	2.7
145.05052	1.5
145.59598	1.4
147.04440	10.6
149.05908	1.5
155.07076	3.6
163.03877	7.7
166.06244	1.9
167.07037	22.9
173.92760	1.4
175.03882	44.3
177.05484	18.0
178.06247	3.4
179.07066	3.0
181.04935	1.9
181.08559	7.8
186.79237	1.6
191.03410	3.6
191.07083	3.0
195.06561	3.3
205.04961	89.7
206.09450	2.2
206.22311	1.4
207.06523	69.9
207.09982	2.0
209.08176	2.6
223.06000	6.7
224.10335	2.2
235.05890	1.9
239.65907	1.7
247.05989	2.8
261.09872	1.9
278.08109	25.9
290.08264	1.6
295.08472	1.8
304.05969	3.2
306.07568	33.0
307.08273	7.6
308.09244	6.3
318.07587	6.4
319.08325	19.6
320.09122	11.2
321.09814	5.5
322.10748	3.5
323.11444	3.2
334.10724	32.4
335.10931	8.5
336.12238	10.4
338.13831	5.8
397.12775	7.8
399.13971	2.1
447.12903	2.4
465.13644	6.3
483.14972	77.8
742.24878	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36284	0.4
67.05509	0.7
69.07065	0.5
81.07056	0.8
93.07056	0.5
100.55360	0.5
109.10170	1.2
136.05234	0.6
168.19615	0.5
168.64130	0.4
174.05479	4.0
187.06384	2.2
188.07042	0.6
188.35880	0.5
321.10126	1.0
334.10687	6.4
336.12299	2.8
371.11691	0.9
399.11639	0.7
400.11877	0.7
427.18997	2.4
496.14301	0.7
504.14310	1.0
518.15955	6.5
520.17316	2.4
531.17194	1.0
532.17578	3.2
534.18109	1.0
535.16736	0.6
536.16943	1.0
540.20117	0.6
544.18091	2.3
546.19202	2.3
550.18774	1.0
551.31433	0.9
570.19647	0.7
572.20697	4.8
576.23474	0.8
586.22217	8.0
588.23401	0.6
590.21820	2.5
600.23914	8.4
602.25543	3.4
604.23584	2.9
612.23785	0.8
618.25037	2.4
626.26111	0.7
631.24933	0.6
640.26929	2.7
654.29010	1.0
658.28082	1.9
668.30267	0.8
708.33765	0.6
724.36395	6.8
742.37317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.373
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.7
69.07078	1.2
75.51905	0.5
81.07070	0.6
98.61874	0.5
103.24375	0.5
109.10188	2.2
157.53656	0.5
170.12755	0.5
174.05484	3.8
187.06297	3.5
187.10965	0.6
188.07109	0.8
319.08487	0.8
320.09244	0.7
321.09979	1.0
334.10678	5.4
336.12344	2.0
371.11832	0.7
398.91489	0.7
399.11484	0.7
400.11646	0.7
427.19138	2.4
429.20551	0.6
480.14655	0.9
492.14319	1.1
500.36658	0.7
506.15970	0.7
518.15674	6.3
519.16907	0.6
520.17798	1.3
531.16846	1.0
532.17657	3.2
533.18323	1.0
534.18835	0.6
536.17218	1.2
544.17279	0.9
556.20752	0.6
558.19525	1.0
572.20422	3.8
576.21936	0.7
586.22302	8.1
588.23639	0.8
590.21686	3.3
598.86322	0.7
600.23975	8.6
602.25385	3.0
604.23181	2.7
618.25317	1.1
640.26678	2.8
658.28229	0.8
724.36285	7.7
742.37292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38921	0.4
69.07078	1.1
72.90964	0.4
77.31530	0.5
78.65148	0.5
81.07065	0.7
83.61380	0.6
91.84401	0.5
98.09034	0.5
106.11961	0.6
108.69130	0.5
109.10185	0.9
174.05516	4.5
181.67926	0.6
184.43152	0.6
187.06311	4.7
188.07101	0.8
280.99112	0.5
281.98483	0.6
293.65152	0.6
301.86304	0.6
306.07819	0.8
319.08563	2.1
320.09052	1.0
321.10132	0.6
334.10727	7.2
335.01926	0.5
427.19144	2.7
492.14581	1.1
503.13736	0.8
504.14780	2.3
506.15903	0.9
510.15570	0.6
518.15900	6.0
519.16528	1.0
520.17474	1.0
522.20258	0.6
531.16840	2.3
532.17950	2.5
534.15527	2.3
544.18274	0.7
546.19171	2.4
549.18549	0.7
550.18750	1.0
551.31555	1.1
558.19446	0.9
564.20673	0.6
568.21783	0.6
572.20654	4.8
584.20471	0.9
586.22046	8.6
588.22455	0.7
590.22333	2.6
600.23956	8.8
602.25598	3.2
604.23108	2.7
612.23755	0.7
618.24786	1.1
630.25354	0.7
640.26819	3.2
656.29608	0.8
658.28131	0.8
724.36426	7.5
742.37329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2023
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
52.16932	0.2
53.91070	0.2
56.66232	0.2
57.03455	1.7
57.03679	0.2
61.02941	0.2
62.44063	0.2
64.20718	0.2
69.03415	1.5
71.04990	7.0
73.02908	1.2
80.32053	0.3
81.03418	0.3
83.04977	1.5
85.02901	10.0
95.00951	0.2
97.02900	3.0
99.04443	0.5
101.62263	0.3
109.02879	0.3
111.04420	0.6
115.03944	0.5
115.33341	0.3
115.37804	0.3
120.19017	0.3
121.88724	0.3
127.03898	1.0
129.05467	1.4
137.02274	0.2
147.06487	0.4
165.01933	0.3
199.05992	0.3
207.17828	0.2
209.52884	0.2
217.12637	0.2
303.04968	100.0
345.05984	0.3
393.47018	0.2
420.97705	0.3
454.25262	0.3
465.10312	5.7
559.42322	0.3
611.16296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81535	1.2
54.85203	1.5
61.73234	1.4
63.76752	1.5
64.32150	1.4
76.61868	1.4
84.15757	1.5
92.21623	2.2
111.89943	1.7
131.62039	1.6
165.60901	1.5
166.19174	1.7
181.08627	2.1
226.90257	1.7
276.53726	1.6
320.09167	2.4
334.10754	7.2
399.52866	1.8
431.21838	1.8
462.37347	2.6
545.81854	1.7
743.22900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97614	1.0
66.21168	1.1
68.03467	1.0
69.03436	1.3
81.03396	1.6
83.05036	1.2
85.02919	8.2
99.04462	8.6
103.57343	1.1
108.54737	1.1
127.03959	2.6
367.13831	5.8
465.17789	2.0
743.39697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.7
55.01892	0.6
55.05518	14.7
57.07082	20.5
65.61223	0.5
67.05515	9.7
67.28400	0.5
69.03447	1.2
69.07069	6.3
71.08639	14.3
72.38424	0.5
74.59077	0.7
79.05504	3.5
81.03416	0.7
81.07054	10.2
83.04960	1.2
83.08626	16.6
83.81427	0.6
85.10182	11.0
86.40136	0.5
90.26513	0.5
91.05515	0.6
93.07058	1.3
94.66873	0.6
95.08607	11.9
97.10170	40.4
98.98456	1.2
101.09705	0.8
102.45503	0.6
105.06995	0.8
107.08595	6.5
109.02857	0.8
109.10169	7.1
111.08079	0.9
123.11643	1.5
125.09626	34.6
135.08093	2.5
137.13165	1.0
143.10654	1.0
151.20160	0.6
153.09061	3.3
155.01102	1.0
171.10141	1.3
189.11205	8.2
208.37497	0.6
227.12796	2.8
313.27292	2.8
423.52716	0.6
483.36783	100.0
743.40295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05519	15.7
57.07086	21.7
67.05509	9.7
69.03427	1.5
69.07076	8.2
71.08641	16.9
75.96153	1.1
79.05484	6.3
81.03432	1.4
81.07052	15.1
83.08624	19.0
85.10182	9.4
95.08606	16.2
95.92155	1.1
97.10170	43.5
107.08604	8.4
109.02871	2.7
109.10169	7.0
123.11732	1.9
125.09627	34.2
127.13325	1.3
135.08092	1.6
153.09059	1.4
171.10118	1.4
172.95270	1.4
189.11212	9.2
192.36656	1.1
219.27074	1.5
227.12712	4.0
309.10645	1.1
313.27359	5.6
337.16425	1.2
449.19534	1.9
483.36795	100.0
505.39948	1.4
732.59125	1.8
743.41626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86137	0.5
53.83895	0.5
79.40117	0.6
81.70796	0.6
82.88673	0.7
85.02896	1.1
90.37521	0.7
91.16598	0.7
94.03340	0.6
151.38222	0.7
152.20631	0.8
180.70706	0.8
212.57309	0.7
290.08145	9.4
302.08081	0.8
304.06058	6.5
318.07599	9.9
319.08411	47.1
334.10742	82.9
408.12375	8.5
419.11343	1.1
420.12579	3.1
422.10175	13.9
436.11789	21.3
437.12570	14.5
452.14938	46.0
710.18561	1.1
726.21582	4.4
744.22894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09725	0.6
58.06614	0.7
59.29928	0.6
70.05231	0.9
85.02900	1.4
106.02588	0.9
157.55771	0.9
207.96722	0.8
290.08102	11.1
292.09274	0.8
302.08139	1.1
304.05981	7.6
318.07666	12.8
319.05133	1.2
319.08380	57.4
320.09241	8.8
334.10721	100.0
402.22147	0.8
408.12350	6.2
420.12506	2.8
422.10153	8.1
436.11737	14.7
437.12579	11.7
452.14914	40.7
508.09506	0.9
710.18164	1.1
726.21698	3.5
744.22675	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09725	0.6
58.06614	0.7
59.29928	0.6
70.05231	0.9
85.02900	1.4
106.02588	0.9
157.55771	0.9
207.96722	0.8
290.08102	11.1
292.09274	0.8
302.08139	1.1
304.05981	7.6
318.07666	12.8
319.05133	1.2
319.08380	57.4
320.09241	8.8
334.10721	100.0
402.22147	0.8
408.12350	6.2
420.12506	2.8
422.10153	8.1
436.11737	14.7
437.12579	11.7
452.14914	40.7
508.09506	0.9
710.18164	1.1
726.21698	3.5
744.22675	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
74.75983	0.7
119.04918	0.8
125.06022	1.0
137.06007	1.2
147.04497	1.3
153.05458	1.1
180.17363	0.8
207.06667	1.1
231.16609	0.7
276.43555	0.8
304.06067	1.4
306.07639	1.0
310.10587	1.1
318.07706	1.5
319.08282	7.1
320.09018	5.7
321.09796	1.2
322.10941	0.8
323.11664	0.8
334.10690	17.2
335.11203	3.6
336.12463	1.6
364.11713	0.9
438.13562	0.9
440.15616	1.2
445.70438	0.8
450.13303	3.2
452.15399	2.5
456.14856	0.8
466.13220	1.4
468.14960	6.3
470.12259	1.0
471.13129	0.9
478.12820	1.1
482.12265	1.5
484.14020	3.1
485.15479	1.1
486.15625	1.3
488.13446	5.9
496.14026	4.8
498.15656	1.6
500.13181	41.2
501.18420	0.8
503.15994	3.7
504.16586	3.4
513.14594	1.6
514.15088	7.2
515.15942	5.6
516.17017	5.4
526.15002	14.0
528.16614	6.0
529.17847	1.6
531.15051	3.0
532.16302	3.1
541.17511	1.5
546.17401	6.7
547.18323	7.8
553.12341	0.8
560.19623	1.4
744.26514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.265
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16853	1.1
121.06474	1.6
133.22260	1.2
144.36017	1.2
149.06018	2.7
153.05434	2.0
167.07103	1.3
177.05502	4.4
182.09454	5.9
191.07079	2.8
192.07794	9.2
200.73471	1.4
204.72246	1.4
210.08965	4.7
221.64148	1.2
256.13184	1.6
263.17792	1.5
280.06137	4.9
280.09528	1.1
295.08371	19.1
309.09979	2.2
310.10730	100.0
319.08414	5.9
320.09213	5.6
324.08859	1.9
334.07391	1.3
334.10648	10.8
335.11160	1.3
336.12183	1.8
338.10202	22.0
366.09695	14.2
488.13107	1.7
500.13187	6.0
515.16296	3.8
526.15216	1.5
546.17645	4.5
547.18268	6.8
744.26379	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17307	0.8
62.94991	0.8
67.05503	1.8
78.51154	0.8
81.03426	0.9
81.07056	1.8
85.02899	0.9
91.05492	1.7
95.08635	1.0
100.30548	0.8
105.07030	0.8
112.85659	0.8
115.75140	0.8
133.10149	1.0
154.20702	0.7
167.07054	1.6
181.05025	1.2
256.74200	0.9
267.07114	0.8
269.10126	0.9
292.09653	1.2
309.20587	1.6
316.09793	1.1
318.07596	1.2
318.10980	1.4
319.08319	5.1
320.09174	33.1
326.10162	9.0
333.09903	3.4
334.10715	7.0
335.11560	3.6
336.12396	1.7
340.08148	1.7
344.08981	0.9
346.10788	3.4
348.12622	1.1
349.23718	1.4
355.10303	1.5
362.10034	1.4
363.11005	3.6
364.07794	1.4
364.11865	1.5
376.11832	6.4
377.12885	3.1
378.09531	3.7
379.10510	14.8
380.11273	4.6
392.11249	5.6
404.11133	1.3
416.22214	1.1
428.22476	1.2
429.19473	0.9
444.21725	16.9
446.23007	3.6
453.19507	0.9
453.51517	0.9
454.19855	1.8
456.21490	5.0
459.20380	1.5
472.14413	1.2
472.21191	27.1
474.22913	13.8
474.29025	1.3
482.19254	1.8
484.15524	1.6
490.15811	1.1
490.22324	27.3
500.20691	38.8
502.22382	9.9
508.23325	1.4
518.21716	39.9
520.22852	1.0
528.20184	11.5
536.22791	8.9
546.21252	20.3
564.22314	100.0
574.26660	0.9
582.23389	9.4
655.94177	0.9
680.09283	1.1
726.27740	22.5
744.29089	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27961	2.2
58.06601	10.7
58.45773	2.2
62.40137	2.4
69.03435	13.0
71.41299	2.5
73.02929	2.7
81.03417	5.6
85.02914	19.7
92.39137	2.2
97.02898	6.1
99.04475	3.1
101.06012	21.7
109.02904	4.9
117.03379	4.2
119.04929	3.7
121.06513	2.8
127.03972	4.1
140.04665	6.0
143.53406	2.6
147.04372	5.4
155.07043	35.4
156.02281	2.7
163.03874	16.4
166.06282	4.2
167.07040	42.7
170.30681	2.7
175.03906	20.4
177.05452	53.6
178.06271	10.0
179.07069	15.1
181.04977	4.4
181.08586	17.4
184.07391	3.6
191.03328	4.8
191.06992	10.2
194.09428	3.2
195.06653	4.3
205.04977	96.5
206.09377	5.1
207.06540	34.8
209.04659	2.8
209.08084	4.1
223.06004	48.0
224.10457	3.2
290.07950	3.3
309.11234	4.1
319.08432	33.5
320.09198	34.2
323.11642	6.3
334.10727	63.3
336.12381	4.5
337.13025	3.3
338.13806	12.9
367.10410	6.4
385.11389	4.6
397.12714	25.2
399.14435	12.2
411.14490	3.2
429.15518	11.2
472.23007	2.8
485.10217	4.5
485.16580	100.0
529.79462	2.7
561.19543	4.1
744.27985	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47129	0.5
68.77103	0.5
69.07069	3.4
80.88066	0.5
81.07040	3.2
85.02876	1.9
109.10115	0.7
123.11704	6.1
127.90623	0.6
149.09775	0.6
151.03915	5.0
159.08057	1.2
160.07190	0.5
163.03882	0.7
163.11145	0.8
165.05458	2.5
173.09622	2.2
177.05481	2.8
177.09087	0.7
178.71622	0.5
179.03407	5.0
191.03360	4.7
191.10661	3.1
193.04903	2.6
201.09146	5.2
205.04990	1.1
205.08565	2.4
207.10188	0.7
211.06010	3.4
219.10161	100.0
229.08504	0.9
231.10176	2.2
233.08083	2.0
233.11659	0.7
239.19672	0.6
243.68127	0.6
247.09633	46.7
261.11230	0.9
269.15515	1.0
275.16406	3.0
279.12265	63.3
287.16425	5.3
293.13895	0.7
315.15823	1.2
319.08325	1.0
320.09177	1.1
334.10715	2.6
335.18277	0.6
343.22733	3.9
347.18466	4.2
403.24783	16.6
699.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	24.2
66.19219	4.1
69.07070	5.4
71.08633	23.8
73.06571	7.9
80.12605	4.6
85.10182	10.5
87.04462	5.2
89.06025	84.0
90.87019	4.6
93.26604	4.5
102.42389	4.3
105.31780	4.1
123.91316	4.2
133.08617	28.6
133.99478	4.1
177.11234	5.9
184.07368	7.1
259.83542	5.1
320.09201	6.1
334.07178	5.4
334.10742	9.4
342.86639	5.1
348.08823	4.9
357.33429	5.3
508.13284	6.3
592.22949	19.4
727.56616	34.0
744.36560	100.0
744.58411	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05520	1.0
59.12557	0.4
60.72493	0.3
61.93626	0.4
65.82430	0.3
70.97477	0.4
71.51939	0.4
81.03410	1.7
82.64337	0.4
83.04978	3.5
85.02887	1.6
97.02879	1.0
99.04457	32.0
101.06039	1.6
108.74725	0.4
117.05489	4.8
118.06524	2.4
119.07065	2.7
127.03905	0.7
132.08070	2.0
144.08098	5.0
145.04977	0.4
146.06004	36.8
149.69908	0.5
159.09177	5.0
170.05991	2.0
188.07063	100.0
196.18111	0.5
205.09717	29.2
243.08742	0.4
261.09656	4.7
263.11218	0.6
271.44727	0.5
281.12244	2.0
355.55688	0.5
361.14862	6.0
367.14688	0.5
379.16016	4.9
393.56442	0.5
423.15012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51865	0.9
55.04086	0.9
66.05152	1.0
67.05544	1.5
69.03429	0.8
70.19025	0.9
81.03426	2.0
81.07073	1.2
85.02916	5.0
90.49191	0.9
95.05522	1.2
97.02900	1.7
99.04462	11.0
105.07052	1.2
127.03896	1.6
128.83990	1.3
144.89191	1.1
150.67523	0.9
153.12881	0.9
207.93233	1.1
265.07141	1.1
319.08643	1.5
320.09073	1.1
334.10931	4.2
336.12759	1.3
367.13458	1.1
388.15546	5.3
405.96057	1.3
430.16568	4.1
659.33325	7.4
745.41370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.8
55.05513	14.6
57.03435	8.3
58.71786	3.0
59.97760	3.1
61.02937	5.5
62.30688	3.5
67.05511	44.6
69.07065	16.8
70.89489	2.9
71.53973	3.3
77.89713	3.3
78.34307	3.3
79.05489	64.0
81.03416	3.5
81.07061	54.2
81.29691	3.5
83.08614	17.4
85.02921	5.2
85.06522	3.3
91.05482	43.9
93.07038	70.5
95.08603	46.6
97.06548	3.6
103.48685	3.8
105.07032	37.6
107.08585	33.7
109.06490	3.7
109.10142	22.2
111.08005	3.2
112.65205	3.5
117.07001	14.8
119.08601	43.1
121.10127	39.3
128.42010	3.7
129.07008	7.3
131.08562	19.9
133.10127	43.9
135.11708	17.3
143.08527	4.6
145.10110	21.2
147.11687	31.1
149.13252	7.3
152.33548	3.4
157.10133	7.9
159.11707	16.8
161.13217	21.0
171.11653	17.3
173.13298	18.1
175.14798	4.2
183.11694	5.3
185.13274	8.2
187.11082	3.4
187.14824	4.2
198.76454	3.1
199.14807	4.3
214.46901	3.9
223.14844	3.1
226.34471	4.0
231.17421	6.1
233.49820	3.6
241.19633	14.2
259.20587	18.7
295.54611	3.4
307.22708	32.6
333.24133	17.9
334.10574	6.6
388.15506	19.7
430.16516	13.6
447.60089	3.6
488.43756	4.6
565.42413	5.6
583.43573	100.0
646.14758	4.0
691.45624	5.4
709.47406	4.9
727.47516	5.7
745.43243	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.3
84.14189	0.2
102.26350	0.3
102.27183	0.3
113.33686	0.3
122.02017	0.3
153.29747	0.3
201.30911	0.3
212.51563	0.3
231.75717	0.3
243.13078	0.3
273.07849	0.3
290.08121	7.2
302.08142	2.0
303.08792	0.3
304.06000	7.2
318.07605	9.3
319.08392	48.7
320.09180	1.1
321.09637	0.3
334.10727	100.0
336.12296	1.7
372.12347	1.2
418.12949	0.4
456.32172	0.3
519.13727	0.3
608.18127	1.0
746.24365	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48959	0.4
54.16063	0.5
58.06314	1.0
58.06607	29.5
62.57518	0.5
69.03439	0.7
70.25278	0.5
72.08159	0.5
85.02917	0.9
92.21541	0.8
92.41724	0.5
95.04973	2.3
97.02888	0.8
123.04430	4.1
127.03891	0.6
140.04674	2.0
141.61111	0.5
155.07072	3.2
162.13695	0.6
167.07076	1.2
183.06561	2.9
188.07018	0.9
207.08141	1.1
228.26732	0.6
235.07501	4.4
238.06281	1.3
249.05374	0.8
251.07129	1.2
252.07809	6.5
253.08743	2.1
263.06952	10.2
264.07962	0.8
266.05844	0.8
267.10205	4.7
277.08679	1.1
279.06522	4.9
280.07437	2.4
281.08069	83.7
282.08960	0.7
283.09717	0.8
295.09607	5.8
296.10406	96.2
311.09305	1.2
320.09225	3.4
363.54065	0.7
368.56647	0.7
446.13910	0.8
446.52142	0.8
476.14490	0.7
491.13748	0.9
506.15979	2.8
507.16913	3.0
524.16608	1.0
528.51385	0.7
539.99268	0.6
584.24597	0.9
701.24213	0.7
746.30206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59082	0.7
56.80862	0.8
68.00903	0.8
69.03432	0.9
71.19878	0.7
77.64881	0.8
80.02739	0.8
81.03420	4.6
85.02912	1.2
85.45135	0.8
87.89810	0.8
91.05499	1.5
91.86460	0.9
94.15637	0.8
109.02895	3.3
111.86714	1.0
119.04945	12.5
128.77364	0.9
136.36847	0.9
137.06012	8.4
138.06386	0.9
145.02861	1.2
147.04405	16.6
149.05908	0.9
151.03889	1.3
151.07570	1.1
153.05489	1.3
161.05978	1.5
163.07516	3.8
167.06995	4.7
175.03896	71.8
175.47449	1.0
177.05429	5.4
177.09119	4.9
181.04898	1.0
193.08705	1.0
207.06525	100.0
221.11659	0.9
264.07910	1.0
307.09518	1.7
311.12769	1.2
318.07800	1.1
319.08435	5.1
320.09140	7.4
321.09631	1.8
331.15353	5.4
333.11258	6.5
334.10666	12.6
336.12268	5.0
337.14063	1.5
339.12167	4.5
340.12503	1.6
343.15460	1.0
351.10718	1.6
355.15448	1.9
365.13861	7.1
369.11713	7.4
369.71591	1.1
383.14844	27.3
413.16022	2.1
491.16772	1.3
519.19788	3.5
537.21289	5.8
545.19977	1.6
631.55011	1.1
730.07190	1.1
746.25598	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96795	0.4
74.58406	0.4
84.47284	0.4
84.47874	0.4
134.70193	0.5
184.33960	0.5
271.24655	0.5
292.09634	2.3
318.07642	0.6
320.09180	100.0
323.45026	0.5
334.10785	0.6
336.12311	0.5
364.55960	0.5
572.13214	0.5
610.09760	0.6
746.31744	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77658	1.7
71.08630	4.0
74.26151	1.7
79.87643	2.0
83.28453	1.9
86.78737	1.8
91.77071	1.6
101.94474	1.8
105.70979	1.8
107.24405	1.9
115.40481	1.6
149.05983	3.7
169.03004	1.8
176.07051	3.9
199.03976	3.4
235.27016	2.1
255.13489	2.4
320.09149	100.0
370.10767	36.9
373.09387	11.1
416.23935	2.5
429.03482	2.4
434.25171	9.8
445.19965	2.6
460.21805	2.8
523.21124	2.6
632.28467	30.4
746.38824	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36864	0.4
66.44879	0.4
96.97340	0.5
104.30357	0.5
160.55321	0.5
181.52524	0.5
183.40215	0.5
242.20995	0.5
347.19870	0.5
463.22977	0.6
500.17117	0.7
510.19147	2.6
512.17102	3.3
524.21643	0.9
525.18518	2.6
526.19537	0.5
537.25415	0.7
538.18683	6.7
539.19385	0.8
540.20685	2.0
548.23376	0.6
552.20276	3.2
553.21033	2.2
554.22156	0.7
561.75116	0.5
562.26038	0.6
564.23364	0.8
565.24518	1.0
566.21881	2.3
576.23297	0.9
580.26843	1.0
592.23767	0.9
593.24200	7.8
594.24786	5.0
607.25293	0.7
608.26404	75.4
622.28314	4.8
644.29474	1.1
648.32233	0.8
662.31140	3.1
742.30133	0.6
746.40472	100.0
777.08069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.6
57.03441	9.3
57.07080	2.7
60.72675	2.0
65.89982	2.0
66.32143	2.0
67.05180	2.8
67.05508	44.2
69.07063	10.1
71.04978	2.8
71.57166	2.1
75.86924	2.0
79.05497	21.6
81.07059	36.7
83.08624	8.1
85.06544	3.2
86.73754	2.1
91.05497	25.4
93.07051	22.2
95.04969	4.8
95.08601	30.8
96.21000	2.1
105.07036	16.2
107.08594	26.4
109.06501	3.6
109.10153	43.4
113.05980	2.7
117.07021	3.2
119.08585	10.6
121.10142	14.9
123.11708	10.8
131.08554	4.5
133.10126	93.6
135.11748	17.1
143.08632	7.6
143.82123	2.2
145.10144	4.4
147.11736	3.2
151.11177	41.9
161.09613	27.6
169.12238	3.5
173.13257	3.1
179.10695	18.2
197.11708	2.9
215.12782	16.4
232.67786	2.6
253.14420	13.9
261.22067	9.2
271.15424	23.6
289.16425	35.0
313.27454	3.4
335.25742	48.6
336.12265	5.3
531.36298	2.9
549.37830	100.0
555.93774	2.6
567.38385	4.5
591.96930	2.3
629.99042	3.0
746.39923	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
75.95824	0.2
116.63840	0.2
126.74348	0.2
181.08502	0.2
211.42282	0.2
276.06464	0.3
290.08115	7.2
302.08133	2.4
304.06039	7.0
304.09482	0.4
308.09235	0.3
318.07578	9.9
319.08374	39.4
320.08975	1.5
334.10715	100.0
335.10974	0.4
336.12177	1.9
358.77072	0.3
396.13278	0.2
748.29767	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98390	0.3
62.71153	0.2
68.77175	0.3
68.89531	0.3
82.71130	0.3
97.53355	0.3
100.93509	0.3
151.96521	0.3
156.87334	0.3
285.95547	0.3
290.08075	6.9
292.09793	0.6
302.08194	2.2
304.06009	7.0
318.07584	10.3
319.08383	41.9
320.09167	2.0
334.10733	100.0
335.10962	0.4
336.12360	1.4
384.73386	0.4
446.51599	0.4
599.58722	0.4
659.58643	0.4
748.29663	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
107.50195	0.3
133.00858	0.3
138.65311	0.3
167.38867	0.3
290.08087	0.3
292.09644	3.1
320.09164	100.0
400.23322	0.3
453.11221	0.4
454.12564	0.5
467.09659	0.6
497.14127	0.7
525.13416	0.5
553.46094	0.3
614.30896	0.6
748.22046	2.7
748.33350	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60265	8.4
55.63144	8.4
62.06100	14.1
65.98634	10.1
97.16908	10.9
109.10162	11.7
163.92946	14.6
210.25583	11.6
213.27107	12.1
313.27374	100.0
334.10461	15.5
436.28256	22.3
454.29315	97.2
725.31708	13.7
740.98364	12.8
748.33344	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57368	0.9
63.11902	0.8
67.37309	0.8
72.71958	0.9
74.71372	0.8
76.94097	0.9
86.47740	0.9
89.35378	1.0
131.66232	1.0
135.04401	2.0
149.02428	1.2
163.03940	6.1
165.05502	5.3
190.05086	3.8
193.03226	2.3
193.04967	52.5
193.06642	2.1
211.00089	1.0
220.06108	4.6
262.51059	1.0
275.71124	0.9
282.08945	0.9
293.07944	1.0
296.13620	1.0
306.07800	1.4
307.08704	1.1
311.05737	1.1
320.09290	1.5
325.10718	2.0
336.12463	4.1
336.52371	1.1
337.12451	1.3
338.13855	1.2
350.10239	1.3
382.76108	1.0
456.10425	1.7
461.10172	1.3
466.09390	1.2
468.10861	1.8
482.12674	1.6
484.10403	4.2
495.11649	1.8
498.12137	1.8
509.12927	1.1
510.12173	1.4
514.14752	2.3
523.11353	1.9
526.11273	1.2
542.14069	1.8
560.15948	5.1
731.19049	5.8
749.19794	100.0
749.34961	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46607	0.3
73.64449	0.3
74.41474	0.3
99.58318	0.4
110.74450	0.3
119.52404	0.4
120.03060	0.4
137.84644	0.4
159.26695	0.4
172.22552	0.4
199.83171	0.4
224.22836	0.4
249.17279	0.4
283.99857	0.4
290.08151	11.1
294.34030	0.4
302.08099	2.2
304.06021	9.3
318.07565	14.4
319.08383	58.3
320.08911	1.6
321.09451	0.6
322.10870	0.8
334.10724	100.0
351.11002	0.4
569.08484	0.5
749.19977	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46607	0.3
73.64449	0.3
74.41474	0.3
99.58318	0.4
110.74450	0.3
119.52404	0.4
120.03060	0.4
137.84644	0.4
159.26695	0.4
172.22552	0.4
199.83171	0.4
224.22836	0.4
249.17279	0.4
283.99857	0.4
290.08151	11.1
294.34030	0.4
302.08099	2.2
304.06021	9.3
318.07565	14.4
319.08383	58.3
320.08911	1.6
321.09451	0.6
322.10870	0.8
334.10724	100.0
351.11002	0.4
569.08484	0.5
749.19977	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27778	0.5
106.75517	0.6
107.29712	0.7
175.03893	15.5
207.06541	13.9
241.70274	0.6
320.09167	1.0
334.10989	0.8
337.12610	0.7
340.72916	0.7
372.57782	0.6
398.12421	10.2
406.10846	0.8
422.10129	1.4
424.11902	10.3
437.12521	2.9
440.11044	3.6
450.09427	1.2
452.11441	8.9
454.12863	3.5
464.11224	3.4
465.11880	1.0
466.12988	3.2
468.10724	18.1
469.11081	0.8
480.10834	2.3
482.12329	16.3
483.13232	2.4
494.12146	3.0
495.13388	4.9
496.10147	6.9
510.11765	5.7
526.15002	100.0
558.17499	12.1
717.20764	35.3
749.22833	6.2
749.36609	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63820	0.6
79.05539	0.7
92.21494	0.7
93.07053	0.7
95.25602	0.6
107.08598	1.1
147.11713	0.9
149.06131	0.8
174.59328	0.6
176.07082	2.8
184.74199	0.7
190.47794	0.7
192.06580	1.0
213.09126	2.3
222.14285	0.6
320.09186	2.6
374.13980	1.1
433.23981	1.0
447.21503	2.5
459.21738	9.0
460.22470	11.4
461.23462	10.8
473.23480	3.1
487.25415	2.2
491.24603	0.9
492.25378	3.9
505.22162	7.5
519.23981	1.5
522.51764	0.7
533.25482	77.7
547.27075	0.9
561.25269	1.0
564.24225	1.2
565.27435	1.0
575.26563	0.8
592.27094	2.4
593.27600	70.6
614.34399	0.7
689.29578	3.0
749.31830	100.0
749.43689	7.5
771.32050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07102	0.6
60.04535	8.3
67.05511	1.1
67.76662	0.6
69.07059	0.6
69.38439	0.6
74.38554	0.6
79.05507	0.8
81.07049	1.0
95.08633	1.2
108.97142	0.7
132.04411	0.9
135.04419	0.6
149.05975	7.5
157.10139	1.1
162.05577	1.1
171.08125	0.8
174.05525	6.7
175.06308	9.9
176.07069	40.5
177.07845	3.1
177.33548	0.6
183.08121	1.0
185.09618	4.7
189.07877	0.8
192.06543	21.5
192.08092	1.0
192.10207	5.8
194.08124	5.4
200.08316	1.2
213.09099	24.8
216.06631	3.4
217.07314	3.4
225.09190	1.3
227.10678	1.2
243.10194	1.2
253.08644	3.6
270.11230	1.1
280.26389	1.0
292.09570	1.5
298.27603	0.8
316.28763	0.8
320.09167	39.6
336.12238	3.6
374.13876	20.9
376.15494	1.0
388.11780	1.6
416.14752	2.5
434.15784	1.0
532.34814	0.7
578.98242	0.7
749.43695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	0.4
65.56143	0.3
68.50311	0.3
76.51890	0.3
88.01670	0.3
92.09690	0.4
130.21359	0.3
135.11336	0.3
173.04781	0.4
174.05479	1.6
188.03433	3.6
290.08139	7.5
302.08078	2.2
303.08734	0.4
304.06024	6.9
313.89749	0.3
318.07571	10.1
319.08377	49.9
320.09073	3.4
321.09515	0.6
322.10333	0.4
334.10712	100.0
335.11023	1.6
336.12253	2.5
338.13754	0.6
420.12286	1.5
422.14188	2.6
437.13226	0.6
438.13177	0.8
452.14700	2.7
584.19092	1.5
600.19031	0.4
614.20618	0.5
615.41516	0.5
750.25360	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	0.4
65.56143	0.3
68.50311	0.3
76.51890	0.3
88.01670	0.3
92.09690	0.4
130.21359	0.3
135.11336	0.3
173.04781	0.4
174.05479	1.6
188.03433	3.6
290.08139	7.5
302.08078	2.2
303.08734	0.4
304.06024	6.9
313.89749	0.3
318.07571	10.1
319.08377	49.9
320.09073	3.4
321.09515	0.6
322.10333	0.4
334.10712	100.0
335.11023	1.6
336.12253	2.5
338.13754	0.6
420.12286	1.5
422.14188	2.6
437.13226	0.6
438.13177	0.8
452.14700	2.7
584.19092	1.5
600.19031	0.4
614.20618	0.5
615.41516	0.5
750.25360	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.8
63.86310	0.9
91.05540	0.9
95.39789	0.8
121.06549	1.1
121.10196	0.9
131.60913	0.8
190.04935	1.2
202.05045	1.0
207.64380	0.8
248.76906	0.9
292.09662	0.9
303.09052	0.9
305.29175	0.9
316.05841	1.3
318.07648	1.2
319.08453	1.7
321.10007	1.8
333.09985	4.6
334.07132	6.4
334.10919	5.2
336.12109	8.8
349.09650	1.4
398.83325	0.9
425.08948	1.1
470.12833	1.0
514.14948	1.1
627.18939	1.1
646.17950	1.5
660.18927	1.7
661.20416	1.5
662.16522	1.3
673.19519	3.1
674.17273	7.0
689.19409	1.3
692.21375	8.9
704.20313	1.5
706.22961	3.8
718.23206	1.5
720.20801	20.7
734.22180	5.0
750.25378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	0.4
65.56143	0.3
68.50311	0.3
76.51890	0.3
88.01670	0.3
92.09690	0.4
130.21359	0.3
135.11336	0.3
173.04781	0.4
174.05479	1.6
188.03433	3.6
290.08139	7.5
302.08078	2.2
303.08734	0.4
304.06024	6.9
313.89749	0.3
318.07571	10.1
319.08377	49.9
320.09073	3.4
321.09515	0.6
322.10333	0.4
334.10712	100.0
335.11023	1.6
336.12253	2.5
338.13754	0.6
420.12286	1.5
422.14188	2.6
437.13226	0.6
438.13177	0.8
452.14700	2.7
584.19092	1.5
600.19031	0.4
614.20618	0.5
615.41516	0.5
750.25360	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93951	5.8
87.43546	6.2
95.01658	6.0
228.88687	8.7
319.08441	53.5
334.10678	100.0
750.26581	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72540	0.2
65.29882	0.2
67.44907	0.2
83.88199	0.2
92.20803	0.3
170.48709	0.4
186.86049	0.3
233.64316	0.2
242.84450	0.3
245.87973	0.3
256.38901	0.3
290.02972	0.3
290.08084	8.2
302.08008	2.5
304.06042	6.9
318.07578	9.4
319.08374	47.0
320.09091	0.3
334.10712	100.0
428.34552	0.3
750.27545	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30532	0.2
57.60354	0.3
69.03412	0.3
70.72592	0.3
83.10854	0.3
84.08276	0.3
92.20930	0.4
97.10114	0.3
98.09498	0.3
144.80267	0.3
173.04628	0.4
174.05421	0.5
188.03406	0.7
290.08160	6.0
302.08054	1.4
304.06067	5.0
318.07544	7.3
319.08386	41.2
320.09171	3.1
321.09741	0.3
334.10730	100.0
360.12384	0.6
374.10251	1.8
390.09753	0.5
463.46652	0.3
508.21545	0.4
588.22504	0.7
750.27557	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93951	5.8
87.43546	6.2
95.01658	6.0
228.88687	8.7
319.08441	53.5
334.10678	100.0
750.26581	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33317	1.4
60.14557	1.7
60.14880	1.6
65.74393	1.5
85.02910	7.4
86.82011	1.7
87.04493	2.2
97.02878	3.1
107.04952	46.0
123.04426	3.2
143.04964	3.3
145.06450	6.6
161.05957	20.7
173.00764	1.9
239.03165	1.8
255.10126	72.4
272.12845	33.2
434.12250	3.4
434.18094	100.0
515.94586	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07367	1.7
86.36259	1.8
107.04992	2.1
109.84359	2.1
133.06450	2.4
151.07489	2.3
160.05197	2.1
161.06004	8.1
164.40524	2.2
166.06268	10.4
172.31880	2.1
172.48335	2.0
175.07524	4.2
181.08577	53.4
190.06226	16.2
199.07538	24.1
205.08620	38.8
277.08716	2.4
289.08478	4.1
290.08203	2.1
293.11771	2.7
302.09378	2.3
303.10010	2.5
304.10910	12.5
305.08270	4.7
305.11661	20.2
307.13306	3.5
311.39307	1.9
320.09558	10.9
321.11313	27.7
334.10800	13.4
335.12726	12.7
336.13541	60.2
337.10788	3.3
367.15417	100.0
427.17554	21.0
474.61768	2.5
750.35919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68789	0.4
62.92405	0.3
63.05824	0.3
69.07056	0.4
74.01629	0.4
92.21384	0.6
182.46069	0.4
193.38507	0.5
216.06659	0.6
246.45088	0.4
259.11932	0.9
260.12842	5.7
272.12701	3.2
274.14160	0.8
278.08099	29.1
306.07608	61.7
307.08401	0.6
308.09164	100.0
326.05545	0.5
354.27505	0.5
356.18408	2.1
398.27051	2.2
426.26392	12.3
444.27573	8.4
468.60208	0.5
751.22900	0.8
751.35754	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76250	0.6
53.44412	0.5
57.42360	0.6
61.92971	0.6
62.97376	0.6
70.06561	0.7
71.03205	0.6
102.39587	0.7
121.02869	1.5
130.21634	0.7
208.54881	0.7
290.08078	7.8
302.08362	0.9
304.06140	4.3
318.07703	8.4
319.08389	46.9
320.09088	2.7
334.10730	100.0
339.17459	0.8
408.12546	3.1
420.12411	0.8
422.10220	4.1
436.11758	8.8
437.12573	10.0
452.14926	60.2
470.15454	0.8
584.15253	1.0
598.17096	2.9
599.17639	2.8
614.20142	22.6
632.21198	2.9
752.23322	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40158	3.2
54.10699	3.0
55.05515	12.8
55.25584	3.4
61.85027	3.0
67.05499	4.8
69.03433	16.3
69.07075	18.4
71.08620	4.5
79.05518	4.0
81.03429	26.5
81.07070	36.1
83.08617	20.9
85.02917	28.5
90.94512	3.6
93.07037	15.5
95.08619	41.3
97.02895	17.8
97.10159	32.4
99.04478	28.9
105.07050	6.7
107.08612	16.7
109.02916	28.5
109.06534	3.8
109.10165	22.6
111.08077	6.9
111.11718	7.8
121.10163	18.9
123.11653	4.6
127.03933	36.0
133.10168	4.9
135.11711	18.6
137.05975	4.9
145.10284	4.3
147.04410	6.4
152.61388	4.5
175.03929	6.1
175.07550	3.5
177.05470	26.1
177.16391	34.2
195.17404	29.3
201.05443	6.2
207.06410	5.4
213.18399	5.2
275.19971	5.6
290.08008	4.0
303.19580	17.2
318.07785	4.5
319.08344	27.1
320.08960	41.7
321.09451	8.0
321.20541	23.6
322.10382	3.8
334.10736	55.3
335.11069	16.9
336.12411	29.4
339.21747	77.0
357.22726	100.0
375.23849	41.2
463.37598	3.9
475.01443	3.4
752.21356	4.3
771.92395	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	1.1
63.55321	0.9
64.90721	0.9
66.78077	0.9
73.76926	0.9
75.04507	0.9
93.37714	0.9
96.66048	1.1
107.04936	9.5
134.06047	1.1
135.08052	100.0
137.28268	1.0
149.02461	1.3
161.09575	2.0
173.09625	11.6
191.10733	1.7
209.11714	60.0
304.06198	1.1
304.09717	1.3
305.10156	2.2
307.08310	1.9
311.84656	1.2
319.08429	1.8
320.08981	9.1
321.09888	1.4
322.10764	10.6
334.10541	7.7
336.12183	1.6
346.06973	8.4
347.07449	6.5
430.21945	1.1
487.03958	1.1
567.29431	17.9
654.14929	1.7
752.19580	5.3
752.33246	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.5
54.55254	0.8
57.03427	0.8
61.89998	0.8
65.14481	0.8
67.05503	4.3
68.90160	0.8
69.03436	2.2
71.04987	4.0
73.02913	13.7
74.14941	0.9
76.64226	0.9
79.05491	1.5
79.13547	0.9
81.03409	12.4
81.07076	6.4
83.08627	0.9
85.02432	1.4
85.02910	28.8
87.04490	1.4
90.13761	1.0
91.05490	1.6
93.07032	8.3
95.04965	1.0
95.08588	4.9
97.02892	4.5
99.04456	100.0
100.01937	1.0
105.07043	1.9
107.08572	1.8
109.02864	2.3
109.10207	1.3
111.04402	1.1
117.05491	14.5
119.08595	1.2
121.10123	4.5
127.03905	10.3
131.08592	1.6
133.10088	1.2
135.11656	1.3
140.58548	1.0
141.05481	1.7
145.04939	1.1
145.10187	1.5
147.11650	1.7
149.13194	1.0
159.11740	1.0
238.24452	0.9
243.08611	14.9
255.06580	1.0
261.22168	4.3
264.77631	0.9
305.07504	1.3
340.65970	1.0
349.49268	1.1
359.13358	21.4
369.24176	4.3
387.25146	2.1
405.26181	3.2
545.80084	1.2
565.31433	3.7
583.32550	5.4
601.33502	2.3
752.42773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.2
62.02712	0.2
74.36514	0.2
74.62324	0.2
92.20927	0.3
108.27649	0.2
116.05737	0.2
146.34392	0.3
181.08549	0.4
290.08078	10.8
302.08093	2.3
304.06030	8.8
318.07599	12.3
319.08380	53.6
320.09085	5.4
321.09805	1.3
322.10355	0.4
334.10724	100.0
335.11200	0.3
336.12292	7.4
337.12463	0.5
338.13666	0.4
428.33029	0.2
443.51242	0.3
519.46979	0.2
582.40625	0.2
692.24951	1.1
754.24799	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45398	0.3
152.70528	0.5
201.24615	0.4
250.43169	0.4
276.06277	0.4
290.08090	11.9
302.08109	3.8
304.06055	10.6
318.07568	15.8
319.08405	61.5
320.09189	1.8
334.10736	100.0
335.11270	0.5
336.12247	0.7
462.00024	0.5
687.55078	0.4
754.25006	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19681	0.6
57.48711	0.8
62.77184	0.7
78.18327	0.7
78.94926	0.8
290.08109	12.1
302.07941	1.4
304.05978	10.9
309.51877	0.9
318.07562	15.2
319.08374	54.8
320.09061	9.8
321.09726	3.0
322.10699	1.4
334.10718	100.0
335.11008	4.0
336.12289	9.8
706.85815	0.9
754.24805	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75943	0.4
70.46874	0.5
85.74089	0.4
87.50613	0.4
92.20909	0.5
105.77318	0.4
120.24887	0.4
137.05954	2.6
148.99878	0.4
151.07509	0.7
243.44475	0.5
276.06516	0.6
290.08093	10.1
292.09818	1.9
302.08145	2.1
304.06085	8.4
306.07593	0.9
318.07645	10.7
319.08392	56.0
320.09128	10.1
321.09909	8.4
322.10599	0.6
325.55643	0.5
334.10745	100.0
335.10999	3.0
336.12286	34.9
337.12878	0.8
692.23975	0.6
754.24866	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52783	0.3
64.56888	0.3
66.92490	0.3
69.67224	0.3
72.24057	0.3
85.65304	0.3
98.08611	0.4
99.04440	0.4
121.27480	0.3
137.22012	0.3
151.04965	0.3
188.03487	0.4
203.49637	0.4
207.06480	0.4
280.09201	0.3
290.08127	10.6
292.09784	0.7
293.15250	0.4
302.08127	3.2
304.06067	8.7
318.07593	13.1
319.08383	52.8
320.09158	25.8
334.10730	100.0
335.11127	0.4
336.12241	3.5
689.12140	0.4
754.24823	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49146	0.3
68.72424	0.3
88.26600	0.3
90.06528	0.4
97.55015	0.3
115.12808	0.4
117.87108	0.4
118.31561	0.5
137.05925	0.4
244.06773	0.4
290.08063	10.3
302.08142	3.4
304.06027	10.7
304.09479	0.5
318.03842	0.5
318.07581	15.1
319.08377	60.0
320.09073	3.0
321.09351	0.6
334.10715	100.0
335.11188	0.7
336.12234	3.0
475.23703	0.5
501.43759	0.4
754.24878	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43090	0.5
69.37819	0.5
70.93233	0.4
71.17477	0.4
92.21011	0.8
147.22755	0.4
164.01346	0.5
192.31136	0.5
290.08127	11.2
302.08063	3.5
304.02744	0.7
304.06058	12.5
318.07605	15.4
319.08395	54.2
320.09125	4.2
321.09756	0.7
334.10733	100.0
335.11371	0.9
336.12341	5.0
370.87915	0.5
495.99130	0.6
754.24945	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23920	0.6
58.16710	0.7
93.63695	0.8
110.00697	0.7
137.06001	0.8
153.05388	0.7
161.06033	0.7
165.05481	2.7
167.07001	0.9
177.05576	1.3
177.97148	0.9
179.07021	1.5
189.05464	0.8
192.07837	1.2
229.27274	0.8
242.43196	0.7
278.08347	1.0
279.05304	3.9
290.08124	1.3
291.08878	3.4
294.11392	3.3
294.85779	0.8
300.71545	0.8
304.06064	1.0
306.07565	8.2
307.08441	3.3
308.08701	0.9
308.21033	0.7
314.85037	0.7
318.07684	1.5
319.08246	8.4
320.05737	1.9
320.09131	7.0
321.09814	1.0
322.07346	1.1
322.10733	6.7
323.11349	0.9
334.07077	1.7
334.10663	16.2
335.07693	1.1
335.11206	2.8
336.12265	5.2
337.12723	1.0
349.09451	0.8
350.10129	8.4
360.12570	0.9
372.08942	0.8
374.10474	1.2
412.11539	0.8
414.39801	0.9
454.12701	1.5
470.12234	1.1
472.13898	0.9
498.15469	25.5
516.16504	41.1
526.15283	3.0
544.16284	4.1
692.20660	1.0
754.24945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78875	0.5
57.41637	0.4
62.56763	0.5
64.93343	0.5
115.90984	0.5
149.49580	0.6
153.05476	0.7
156.10997	0.6
165.05504	3.0
167.07117	0.7
177.05569	1.0
179.07056	2.4
180.07889	0.6
189.05423	0.9
192.07877	2.1
278.08386	1.0
279.05252	5.8
288.83530	0.6
291.09027	2.4
292.06100	0.9
306.07623	8.2
307.08496	3.0
319.08508	2.8
320.05643	2.2
320.09207	2.1
321.10068	1.4
322.10764	3.6
323.11331	0.8
334.07001	2.1
334.10773	3.7
335.07898	1.2
335.11502	1.0
336.12338	2.4
337.12744	0.7
349.09744	0.7
350.10229	9.5
360.12482	0.6
366.10831	0.6
376.12057	0.8
387.11142	1.4
440.11459	1.1
454.13025	2.2
458.12582	1.0
470.11978	0.8
472.13818	1.2
484.15067	0.8
486.15549	2.4
498.15500	30.9
516.16541	65.9
526.14697	4.1
544.16089	5.4
684.24365	0.6
736.23645	2.1
754.24847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19681	0.6
57.48711	0.8
62.77184	0.7
78.18327	0.7
78.94926	0.8
290.08109	12.1
302.07941	1.4
304.05978	10.9
309.51877	0.9
318.07562	15.2
319.08374	54.8
320.09061	9.8
321.09726	3.0
322.10699	1.4
334.10718	100.0
335.11008	4.0
336.12289	9.8
706.85815	0.9
754.24805	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.3
58.67029	1.0
67.24632	1.0
109.10107	1.3
116.70513	1.1
117.57109	1.0
144.77888	1.2
144.85072	1.0
151.07536	1.5
165.05411	1.6
177.05403	1.3
181.08423	1.1
189.05544	1.0
249.41626	1.3
278.08484	1.1
279.05310	6.6
291.08899	2.2
306.07666	8.3
307.08359	2.1
318.07559	1.6
319.08530	7.5
319.11438	1.3
320.05655	1.7
320.09149	6.7
321.09756	2.5
322.07312	1.5
322.10770	6.3
334.07147	2.9
334.10785	11.4
336.12277	4.7
336.59229	1.2
350.10205	7.1
364.08212	1.5
440.11349	1.6
454.12177	1.3
472.13785	1.5
479.25980	1.3
486.15735	1.5
492.14850	4.4
498.15515	24.2
516.16498	57.0
526.14880	4.7
544.16016	5.0
736.24597	1.4
754.24542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75943	0.4
70.46874	0.5
85.74089	0.4
87.50613	0.4
92.20909	0.5
105.77318	0.4
120.24887	0.4
137.05954	2.6
148.99878	0.4
151.07509	0.7
243.44475	0.5
276.06516	0.6
290.08093	10.1
292.09818	1.9
302.08145	2.1
304.06085	8.4
306.07593	0.9
318.07645	10.7
319.08392	56.0
320.09128	10.1
321.09909	8.4
322.10599	0.6
325.55643	0.5
334.10745	100.0
335.10999	3.0
336.12286	34.9
337.12878	0.8
692.23975	0.6
754.24866	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45280	0.6
58.06607	32.1
58.41761	0.5
62.79292	0.7
66.72066	0.7
67.52707	0.6
70.96617	0.6
72.14418	0.6
83.19393	0.6
92.34834	0.6
105.07036	0.8
107.04961	1.4
131.04900	1.1
133.06529	1.4
161.06061	2.8
167.07033	24.7
167.08336	1.1
175.07539	0.7
187.07509	0.9
191.07036	6.9
199.07463	4.8
199.64955	0.7
212.26491	0.6
229.10068	2.3
233.09679	1.3
243.08125	3.3
245.09677	0.8
247.07616	0.7
257.09677	4.5
260.08282	8.5
261.09106	4.5
271.07599	5.2
273.09222	1.4
274.10178	0.9
275.10651	22.2
277.08716	2.7
285.09180	3.5
288.07776	10.6
289.08670	5.2
290.09570	0.9
293.11749	1.1
294.08905	1.3
295.09689	1.3
302.09650	1.1
303.10132	23.6
306.08960	1.5
309.11334	3.7
320.10693	1.0
321.11090	4.8
335.12927	0.8
353.14252	1.5
362.09753	0.7
487.74570	0.7
585.18829	0.7
587.17523	0.8
711.22418	0.8
754.32190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	31.9
64.71808	0.9
77.96491	0.8
85.43930	1.0
87.42254	0.9
99.04484	1.8
105.07049	1.2
107.04960	1.2
109.02926	1.0
131.04959	0.9
161.06024	2.1
167.07042	31.2
167.08299	1.5
175.07607	1.1
183.87170	1.0
191.07091	5.2
199.07669	4.2
229.10199	2.1
243.08212	5.5
245.09882	1.2
247.11455	1.4
257.09778	6.5
260.08340	10.3
261.09241	4.3
271.07507	7.2
272.08447	1.3
275.10657	26.4
275.13269	1.3
285.09253	4.3
288.07797	11.1
289.08771	6.0
303.10156	32.9
319.08612	4.8
320.09589	6.1
321.11304	5.3
334.10651	15.9
336.12402	1.7
356.11368	1.2
709.26184	1.3
754.32416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	31.2
63.25249	0.6
74.03790	0.7
84.79581	0.7
96.77351	0.7
97.11855	0.6
97.77163	0.6
105.07044	0.8
107.04954	1.2
131.04950	1.7
133.06535	1.5
148.12141	0.8
151.91603	0.7
161.06015	3.1
167.07024	27.5
176.04666	1.0
189.09117	0.9
191.07002	5.6
199.07501	6.0
229.10170	1.3
233.09697	1.6
243.08224	3.3
245.09639	1.0
247.11278	1.4
257.09567	7.2
260.08359	8.8
261.09201	3.7
271.07504	6.4
273.09253	3.3
274.10037	1.7
275.10623	24.0
275.13287	1.3
277.08627	0.9
278.09396	0.9
281.11752	0.8
285.09167	1.7
288.07840	12.1
289.08585	6.2
291.10364	1.2
293.11810	1.3
294.08786	1.3
295.09702	1.3
303.10159	27.2
306.08691	1.2
307.09680	0.8
309.11118	5.7
317.11758	1.0
320.09512	1.3
321.11276	5.2
325.14462	1.3
334.10840	1.6
336.12506	1.0
669.18475	1.1
709.26331	1.0
754.32214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	36.8
58.06887	1.5
58.39428	0.7
69.77401	0.7
74.99749	0.8
105.07142	1.0
107.04987	1.3
111.49638	0.8
131.04956	1.2
134.75365	0.9
139.65289	0.8
144.43832	0.8
161.05998	3.1
167.07031	26.5
167.08302	1.3
187.07588	1.7
191.07129	5.3
199.07658	4.3
229.10147	2.1
233.09744	1.9
243.08125	3.3
247.11372	1.0
257.09589	5.9
260.08362	7.9
261.09161	3.3
271.07516	7.8
273.09125	1.8
274.06387	0.9
275.10651	27.9
277.08582	1.3
285.09137	3.8
287.10864	1.1
288.07895	10.4
289.08716	5.7
289.11972	1.0
291.10248	1.1
293.11734	1.1
303.10172	29.2
304.10892	1.2
309.11282	1.9
317.11841	1.0
319.08484	1.0
320.09457	4.0
321.11322	3.8
334.10983	4.7
335.12762	1.1
336.12381	1.9
530.62958	0.9
754.32330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91407	1.0
57.95633	1.1
58.06612	40.4
58.06890	2.5
70.64988	1.2
99.04451	1.4
107.04928	1.5
123.73472	1.4
128.22295	1.3
133.06537	1.8
160.50702	1.5
167.07043	22.5
175.07544	1.4
191.07130	5.4
192.10278	1.7
234.07059	1.5
275.10797	6.9
276.07935	1.9
277.08569	20.5
289.08585	2.2
294.08850	21.8
295.09827	6.0
303.10312	6.8
309.11206	49.8
309.14563	2.1
319.08334	1.9
320.09366	3.2
334.10812	10.2
336.12494	2.7
583.80499	1.5
600.09949	1.6
614.96533	1.7
689.40601	1.7
754.32324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13104	0.2
68.96352	0.2
69.99715	0.2
103.23045	0.2
125.39407	0.2
139.95607	0.2
274.27499	0.2
277.07346	0.3
279.27090	0.2
290.08029	1.1
292.09665	7.8
308.09146	3.1
318.07672	1.2
319.08212	0.3
320.09164	100.0
322.10785	1.9
338.10245	4.0
341.49222	0.3
387.14886	0.3
446.26743	0.2
492.16162	1.0
568.77112	0.3
734.04712	0.2
754.32965	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01904	1.9
55.05531	2.0
56.72097	1.3
62.95712	1.2
67.05500	10.1
69.03439	3.5
69.07059	2.1
71.04990	2.4
73.02912	16.2
79.05491	3.8
81.03423	12.8
81.07059	8.6
83.04998	3.0
85.02909	7.1
91.05483	8.5
91.68118	1.5
93.07043	10.8
95.04983	5.9
95.08604	7.1
97.02836	2.6
99.04458	100.0
105.07031	10.1
107.04948	2.0
107.08598	6.9
109.10136	1.9
111.04472	2.1
117.06998	7.0
119.08582	8.3
121.10114	3.6
127.03961	2.1
129.06964	5.8
131.08566	10.7
133.10123	8.2
135.11717	2.6
141.05481	9.6
143.08586	6.2
145.10133	10.1
147.11696	6.8
155.08553	3.2
155.43515	1.6
157.10126	7.2
159.11688	7.4
161.13246	2.7
167.08571	1.8
169.10130	2.6
171.06488	3.1
171.08035	1.9
173.09657	1.8
173.13248	3.7
183.11690	8.2
185.13231	2.9
197.09650	2.2
197.13382	2.4
199.11307	1.6
243.08604	8.4
259.20572	3.7
301.21463	2.5
321.09714	2.2
336.12311	3.8
337.12320	1.9
349.21484	6.4
367.22543	8.6
385.23618	6.9
403.24741	3.5
463.84454	1.7
501.18256	1.9
562.99066	1.7
563.29999	15.3
571.98798	1.9
581.30969	18.1
599.32336	23.8
617.33099	6.8
689.13928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2382
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
57.03434	0.4
69.03432	0.3
71.04995	2.0
83.04984	1.0
85.02910	4.6
92.20968	0.4
97.02880	0.4
111.04469	0.3
117.30179	0.2
129.05463	0.4
200.01064	0.2
218.13161	0.2
242.05672	0.3
270.05228	0.5
285.07571	100.0
316.90637	0.3
391.09946	0.2
423.37744	0.2
447.12863	23.9
593.18695	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2377
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
65.85424	0.2
71.04985	2.0
85.02918	2.5
91.13206	0.2
122.22412	0.2
129.05438	0.3
137.06021	0.3
175.04085	0.3
207.06505	0.3
245.34026	0.3
270.05215	0.3
285.07559	100.0
320.09100	0.5
321.09802	0.3
322.10547	0.5
334.10776	0.5
335.11203	0.3
336.12274	2.0
337.12598	1.9
447.12930	2.3
609.18170	13.3
665.87964	0.3
721.53430	0.3
755.23077	2.9
755.52271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00003	0.7
67.05514	1.6
79.05508	1.2
87.14824	0.8
95.08582	0.9
108.90842	0.8
112.21205	0.8
160.99194	0.8
166.43622	0.8
189.32133	1.0
264.12476	1.0
336.12457	1.1
390.48120	0.9
408.38034	0.9
433.24149	2.0
446.20856	1.2
447.21988	3.6
459.21637	11.3
460.22366	11.0
461.23285	16.5
473.23291	9.6
474.24365	1.0
487.25021	7.2
492.25452	3.4
505.22488	4.5
515.24445	4.3
517.26331	4.1
519.24115	2.0
533.25470	48.3
535.27362	1.6
547.27142	10.0
565.28442	1.4
575.26514	10.2
593.27594	34.4
635.28735	4.2
659.28912	1.7
667.31262	1.5
677.29755	15.7
695.30853	7.7
737.31512	11.1
755.32843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07883	1.1
59.58785	1.1
66.10068	1.1
67.05523	1.5
81.07082	1.3
93.07056	1.1
95.08617	2.2
99.04516	1.7
120.89233	1.1
176.70671	1.5
220.33005	1.2
336.12222	1.7
346.05338	1.4
433.24100	2.8
459.21719	11.1
460.22449	10.6
461.23428	12.1
473.23773	8.8
487.24991	8.3
492.25235	1.7
505.22198	4.4
519.23975	2.0
533.25464	32.3
547.27063	11.4
575.26166	11.5
593.27527	18.9
605.27417	3.1
635.28644	6.3
665.29590	4.6
677.29999	12.9
695.30542	7.6
737.31824	10.3
755.32794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82971	1.6
61.04435	1.7
63.58284	1.5
67.34728	1.7
73.46861	2.0
73.73449	1.7
83.17025	1.6
83.49249	1.8
91.08105	1.8
92.21532	2.7
459.21921	11.3
460.22598	11.1
461.23383	9.9
473.23581	3.6
487.24896	3.7
492.25797	2.1
533.25427	57.1
547.27124	3.9
575.27289	2.5
593.18842	3.8
593.27545	46.2
605.27759	19.3
635.28461	8.2
659.28705	3.1
662.88043	2.1
665.29822	10.0
677.29553	4.3
695.30487	9.5
719.49939	2.3
737.31812	2.8
755.32764	100.0
763.89355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
53.24131	0.4
69.00091	0.4
69.03424	3.0
71.04993	1.8
81.03423	9.2
85.02894	5.2
85.06556	1.8
93.07029	1.8
95.08580	1.0
97.02913	5.1
99.04454	100.0
105.07047	1.9
107.08587	1.1
108.74673	0.5
109.02882	2.7
109.10165	0.5
117.05484	10.6
121.10150	1.8
125.85629	0.5
127.03922	4.3
131.08559	0.7
133.10109	2.1
143.08611	0.5
145.04976	3.7
145.10139	3.7
147.11684	2.2
150.15567	0.5
157.10236	0.7
159.11693	3.5
163.03932	3.4
171.11755	0.6
173.13301	1.1
183.11748	1.1
191.14435	0.7
197.13300	0.8
213.16364	2.4
223.14703	0.8
227.17900	0.6
239.18027	0.9
241.15886	0.6
243.08664	2.4
253.19540	3.1
255.17409	0.7
261.09671	13.1
279.21051	4.1
285.07584	3.4
297.22107	17.8
297.25360	0.8
309.10138	0.6
315.23172	22.4
333.24170	1.9
336.12451	2.7
337.12512	1.8
365.86484	0.5
405.14069	0.6
423.14929	4.1
755.25708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	0.5
83.04509	0.5
92.45394	0.6
120.41965	0.5
121.06458	0.7
129.81874	0.6
137.05998	0.6
167.07025	10.0
174.05412	0.6
187.06218	0.6
257.05478	0.6
257.44174	0.6
278.08078	0.7
290.08221	0.7
291.09106	3.1
306.07556	9.1
307.08423	3.2
318.07791	0.7
319.08279	6.9
320.05746	1.2
320.09079	8.0
321.09930	2.5
322.10522	7.2
332.09323	0.7
334.07175	1.5
334.10724	10.1
335.07724	1.2
335.11307	1.3
336.12369	3.8
337.09186	0.8
337.13000	0.9
350.10202	11.6
360.12564	0.7
374.10236	0.9
376.11945	3.8
388.12091	0.6
426.10306	0.7
454.17010	1.3
462.13406	1.0
470.16174	0.9
479.13660	0.9
480.14435	4.1
481.15445	0.9
482.15976	0.9
484.14340	3.0
492.14398	5.9
493.15140	0.8
494.15985	0.7
495.16861	0.8
496.14233	2.9
498.15445	7.6
500.17288	0.6
508.14493	0.9
510.15540	7.9
512.17572	6.1
513.18195	0.7
514.15338	0.9
516.16705	2.7
522.15289	0.8
526.15161	3.7
527.16125	0.7
528.16083	1.0
540.16541	9.6
542.17999	12.0
544.16241	3.3
554.17981	1.0
558.17926	5.4
560.19489	6.2
572.18970	5.7
605.17603	0.7
756.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	0.5
83.04509	0.5
92.45394	0.6
120.41965	0.5
121.06458	0.7
129.81874	0.6
137.05998	0.6
167.07025	10.0
174.05412	0.6
187.06218	0.6
257.05478	0.6
257.44174	0.6
278.08078	0.7
290.08221	0.7
291.09106	3.1
306.07556	9.1
307.08423	3.2
318.07791	0.7
319.08279	6.9
320.05746	1.2
320.09079	8.0
321.09930	2.5
322.10522	7.2
332.09323	0.7
334.07175	1.5
334.10724	10.1
335.07724	1.2
335.11307	1.3
336.12369	3.8
337.09186	0.8
337.13000	0.9
350.10202	11.6
360.12564	0.7
374.10236	0.9
376.11945	3.8
388.12091	0.6
426.10306	0.7
454.17010	1.3
462.13406	1.0
470.16174	0.9
479.13660	0.9
480.14435	4.1
481.15445	0.9
482.15976	0.9
484.14340	3.0
492.14398	5.9
493.15140	0.8
494.15985	0.7
495.16861	0.8
496.14233	2.9
498.15445	7.6
500.17288	0.6
508.14493	0.9
510.15540	7.9
512.17572	6.1
513.18195	0.7
514.15338	0.9
516.16705	2.7
522.15289	0.8
526.15161	3.7
527.16125	0.7
528.16083	1.0
540.16541	9.6
542.17999	12.0
544.16241	3.3
554.17981	1.0
558.17926	5.4
560.19489	6.2
572.18970	5.7
605.17603	0.7
756.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	0.5
83.04509	0.5
92.45394	0.6
120.41965	0.5
121.06458	0.7
129.81874	0.6
137.05998	0.6
167.07025	10.0
174.05412	0.6
187.06218	0.6
257.05478	0.6
257.44174	0.6
278.08078	0.7
290.08221	0.7
291.09106	3.1
306.07556	9.1
307.08423	3.2
318.07791	0.7
319.08279	6.9
320.05746	1.2
320.09079	8.0
321.09930	2.5
322.10522	7.2
332.09323	0.7
334.07175	1.5
334.10724	10.1
335.07724	1.2
335.11307	1.3
336.12369	3.8
337.09186	0.8
337.13000	0.9
350.10202	11.6
360.12564	0.7
374.10236	0.9
376.11945	3.8
388.12091	0.6
426.10306	0.7
454.17010	1.3
462.13406	1.0
470.16174	0.9
479.13660	0.9
480.14435	4.1
481.15445	0.9
482.15976	0.9
484.14340	3.0
492.14398	5.9
493.15140	0.8
494.15985	0.7
495.16861	0.8
496.14233	2.9
498.15445	7.6
500.17288	0.6
508.14493	0.9
510.15540	7.9
512.17572	6.1
513.18195	0.7
514.15338	0.9
516.16705	2.7
522.15289	0.8
526.15161	3.7
527.16125	0.7
528.16083	1.0
540.16541	9.6
542.17999	12.0
544.16241	3.3
554.17981	1.0
558.17926	5.4
560.19489	6.2
572.18970	5.7
605.17603	0.7
756.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	0.5
83.04509	0.5
92.45394	0.6
120.41965	0.5
121.06458	0.7
129.81874	0.6
137.05998	0.6
167.07025	10.0
174.05412	0.6
187.06218	0.6
257.05478	0.6
257.44174	0.6
278.08078	0.7
290.08221	0.7
291.09106	3.1
306.07556	9.1
307.08423	3.2
318.07791	0.7
319.08279	6.9
320.05746	1.2
320.09079	8.0
321.09930	2.5
322.10522	7.2
332.09323	0.7
334.07175	1.5
334.10724	10.1
335.07724	1.2
335.11307	1.3
336.12369	3.8
337.09186	0.8
337.13000	0.9
350.10202	11.6
360.12564	0.7
374.10236	0.9
376.11945	3.8
388.12091	0.6
426.10306	0.7
454.17010	1.3
462.13406	1.0
470.16174	0.9
479.13660	0.9
480.14435	4.1
481.15445	0.9
482.15976	0.9
484.14340	3.0
492.14398	5.9
493.15140	0.8
494.15985	0.7
495.16861	0.8
496.14233	2.9
498.15445	7.6
500.17288	0.6
508.14493	0.9
510.15540	7.9
512.17572	6.1
513.18195	0.7
514.15338	0.9
516.16705	2.7
522.15289	0.8
526.15161	3.7
527.16125	0.7
528.16083	1.0
540.16541	9.6
542.17999	12.0
544.16241	3.3
554.17981	1.0
558.17926	5.4
560.19489	6.2
572.18970	5.7
605.17603	0.7
756.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87046	0.5
83.04509	0.5
92.45394	0.6
120.41965	0.5
121.06458	0.7
129.81874	0.6
137.05998	0.6
167.07025	10.0
174.05412	0.6
187.06218	0.6
257.05478	0.6
257.44174	0.6
278.08078	0.7
290.08221	0.7
291.09106	3.1
306.07556	9.1
307.08423	3.2
318.07791	0.7
319.08279	6.9
320.05746	1.2
320.09079	8.0
321.09930	2.5
322.10522	7.2
332.09323	0.7
334.07175	1.5
334.10724	10.1
335.07724	1.2
335.11307	1.3
336.12369	3.8
337.09186	0.8
337.13000	0.9
350.10202	11.6
360.12564	0.7
374.10236	0.9
376.11945	3.8
388.12091	0.6
426.10306	0.7
454.17010	1.3
462.13406	1.0
470.16174	0.9
479.13660	0.9
480.14435	4.1
481.15445	0.9
482.15976	0.9
484.14340	3.0
492.14398	5.9
493.15140	0.8
494.15985	0.7
495.16861	0.8
496.14233	2.9
498.15445	7.6
500.17288	0.6
508.14493	0.9
510.15540	7.9
512.17572	6.1
513.18195	0.7
514.15338	0.9
516.16705	2.7
522.15289	0.8
526.15161	3.7
527.16125	0.7
528.16083	1.0
540.16541	9.6
542.17999	12.0
544.16241	3.3
554.17981	1.0
558.17926	5.4
560.19489	6.2
572.18970	5.7
605.17603	0.7
756.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71786	1.0
71.48154	0.7
89.07056	0.9
103.45984	0.8
111.35825	0.8
294.07611	1.4
304.09769	1.1
308.09323	1.3
319.08759	1.1
320.09161	7.1
321.09732	0.9
322.10883	1.9
323.11731	1.4
324.12299	6.2
334.10895	1.6
335.11612	2.1
336.12329	15.6
337.13266	1.6
338.10535	1.5
350.13791	9.2
351.14667	1.7
352.12039	4.8
441.17017	0.9
596.23090	1.3
640.02185	1.0
664.21448	6.6
666.22949	1.4
678.23535	3.2
680.21509	4.2
692.24988	10.1
694.23639	1.4
695.23712	5.2
696.23346	1.9
698.26013	9.5
708.24121	1.7
710.25922	32.2
724.27081	1.3
726.25446	12.2
740.27094	1.9
756.30121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
65.56232	1.6
68.31226	1.8
69.03448	2.7
81.03416	10.9
85.02904	4.2
97.02893	4.0
97.21239	2.1
99.04458	92.7
109.02917	2.3
114.75372	1.9
127.03919	2.8
145.06480	2.7
165.05359	2.3
173.05980	10.4
175.07552	7.6
177.09114	3.4
181.08632	2.5
187.07616	2.8
190.06273	8.6
205.08614	28.7
212.82051	1.9
215.06984	2.1
233.08011	7.5
240.24751	2.0
261.09747	2.8
274.84201	2.1
305.11957	2.0
308.09390	1.9
310.12158	2.3
311.12817	9.7
315.55969	2.0
318.07718	2.5
319.08380	9.5
320.09146	8.3
321.10095	2.2
322.10709	3.0
334.10904	26.0
335.11093	4.1
336.12347	19.7
339.12207	4.1
340.13113	9.6
341.13757	3.1
346.11246	2.4
355.11966	4.0
370.14166	48.2
385.16714	2.7
401.15994	100.0
609.49469	2.0
756.25446	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63293	0.6
90.80835	0.7
92.35172	0.7
102.19724	0.6
121.29854	0.7
140.36031	0.7
191.43614	0.7
226.16513	0.7
272.47812	0.7
290.07999	0.9
306.19876	0.8
308.08896	0.9
318.07523	1.6
319.08209	4.3
320.09094	4.0
321.09933	0.9
324.12097	0.8
334.10715	12.3
335.11063	4.3
336.12259	1.6
350.10327	1.0
360.00403	1.6
360.04761	39.9
375.07095	39.5
390.09442	100.0
471.07233	0.8
602.42126	0.7
757.25134	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01876	4.7
60.76030	0.7
64.11708	0.7
69.03428	3.9
71.04984	0.9
73.02911	5.0
81.03424	14.9
85.02905	6.4
87.04451	1.0
91.05473	1.2
93.78381	0.8
95.01308	0.7
95.04945	0.9
97.02900	3.0
99.04457	100.0
103.03954	1.3
105.07095	1.5
109.02889	7.8
117.29601	0.7
127.03898	8.2
128.03467	3.4
131.04890	1.6
133.06506	6.0
137.05962	16.1
141.05458	5.2
145.04988	1.1
147.04327	1.3
149.05971	4.8
150.40012	0.7
151.07539	4.9
161.05963	6.2
161.09595	1.2
163.07535	7.1
165.09113	4.0
167.07071	1.2
169.06488	0.8
175.07584	3.4
177.05423	1.0
179.07089	0.9
181.08539	3.4
187.07593	0.8
189.09142	5.2
190.37123	0.7
191.06976	3.0
197.05991	1.9
201.09187	0.9
203.07005	10.2
207.06509	1.0
207.10187	5.1
215.07033	3.6
218.06647	4.6
219.10016	1.1
225.07613	0.8
229.08647	7.0
233.07970	1.0
243.08690	1.6
249.11089	1.1
255.10255	0.9
257.08081	4.7
260.07617	3.1
269.08124	0.9
273.11249	3.0
275.09006	1.8
281.33972	0.8
291.12201	3.1
293.10202	1.0
304.68985	0.8
318.34885	0.8
320.09552	3.5
321.09201	1.2
326.08746	1.1
331.15393	4.6
334.10910	1.5
336.12332	5.2
343.15277	3.4
344.09686	3.7
346.91650	0.8
362.10886	6.4
451.17731	1.1
469.18814	0.8
492.14978	8.3
508.18112	1.1
510.15674	2.7
532.18634	0.9
714.17383	1.0
757.27136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06567	0.5
83.04985	1.4
83.31592	0.6
99.04467	4.9
101.06013	1.0
118.06564	3.4
118.82122	0.5
124.48099	0.6
132.08101	3.1
135.70842	0.6
139.03909	2.3
141.87646	0.6
144.08095	5.5
146.06020	34.5
152.67532	0.6
159.09183	4.4
160.07468	0.7
170.05847	0.8
188.07068	100.0
205.09734	31.9
240.84683	0.6
293.12286	3.8
339.08609	0.8
340.08963	0.8
343.57764	0.6
535.20477	0.8
623.82806	0.7
685.28497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04419	1.1
108.16780	0.4
154.90912	0.4
163.55695	0.5
175.03847	0.7
176.07098	0.6
188.27998	0.5
290.08105	9.8
296.14337	0.4
302.08093	2.6
303.08862	0.6
304.06018	9.7
318.07574	11.1
319.08392	59.0
320.09137	2.8
334.10739	100.0
422.09985	0.8
436.11710	2.4
437.12616	2.1
452.14926	8.2
454.16586	2.1
454.82736	0.6
498.15405	0.9
691.65308	0.5
758.24329	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.28
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19039	0.2
78.16316	0.2
104.16770	0.3
114.87525	0.2
153.70358	0.3
177.18694	0.2
181.08559	1.1
190.25702	0.2
273.08179	0.3
290.08078	6.4
294.11182	1.0
302.08215	2.2
304.06027	6.0
318.07590	8.5
319.08380	42.1
320.09048	2.5
322.10468	0.3
323.11578	0.2
334.10721	100.0
336.12268	0.3
352.11469	0.2
504.39297	0.2
758.28009	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	26.5
70.59035	0.7
71.58681	0.8
81.07031	1.1
97.02918	1.0
105.07014	0.9
113.01218	0.9
115.99950	0.8
166.08505	0.9
167.07007	4.2
170.63066	1.0
176.48518	0.8
181.04916	1.3
191.07008	1.3
195.26088	0.9
207.08282	0.9
235.07510	5.8
238.06233	1.6
252.07819	3.7
253.08585	1.6
263.07013	11.5
266.05582	0.9
267.10141	4.2
279.06549	3.4
280.07321	3.1
281.08078	100.0
290.11832	0.9
294.11249	25.5
295.09570	6.3
296.10419	98.0
319.08023	1.3
320.08954	1.6
321.09915	4.1
322.10602	5.7
323.11389	1.7
334.10745	5.4
336.12250	13.9
337.12820	1.4
338.13406	1.0
545.72815	1.0
658.34247	1.0
758.31470	97.8
767.40771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86114	1.0
55.05512	6.8
57.03434	5.4
67.05510	34.1
69.07066	10.7
79.05505	23.1
81.07063	39.6
83.04983	7.1
83.08615	6.3
85.02914	2.0
85.06538	1.6
91.05485	10.8
92.20848	1.4
93.07038	32.1
93.59295	1.4
95.04952	2.6
95.08607	31.9
97.06528	7.3
97.10188	1.7
99.04429	1.8
102.87440	1.3
105.07038	7.0
107.04946	2.4
107.08595	21.9
109.06512	1.2
109.10159	23.3
111.04449	26.3
111.08069	8.1
111.11710	7.0
113.05932	1.4
117.07005	2.6
119.08573	15.4
121.06467	1.6
121.10139	57.7
122.11510	1.2
123.11684	2.7
125.05975	4.6
127.03893	1.3
129.06995	1.3
131.08557	9.7
133.10103	6.6
133.39658	1.1
135.11685	28.1
139.07542	1.5
139.11189	23.4
145.10147	17.8
147.11674	5.2
149.09624	5.6
149.13301	4.3
153.12744	15.9
159.11749	1.7
161.13261	2.7
163.11171	45.3
163.74046	1.3
173.09613	4.9
181.12225	35.9
185.11797	4.9
187.14888	1.7
191.10670	21.1
209.11685	2.7
227.12746	19.8
245.13791	24.4
261.22104	8.2
283.15393	26.9
292.09219	1.2
301.16415	70.6
335.21750	2.4
335.25793	73.5
336.12366	1.9
543.36816	6.2
561.37860	100.0
579.38678	5.7
589.51837	1.3
604.89911	1.4
605.57660	1.4
616.19897	1.3
630.29199	1.4
727.78833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87231	4.4
60.16921	4.9
67.05513	55.1
69.07073	7.7
79.05486	29.7
81.07066	34.0
83.04983	6.1
88.54089	4.4
89.00494	4.2
91.05476	5.9
93.07040	30.2
95.08594	37.6
105.07021	11.3
107.08604	25.8
109.10164	21.1
111.04456	34.9
111.08080	5.1
119.08575	6.4
121.10139	39.6
123.11734	9.0
131.08617	6.6
133.10077	7.0
135.11710	33.8
139.11188	7.7
145.10101	11.6
147.11752	5.2
153.12781	26.8
163.11172	40.4
173.09674	7.5
181.12244	44.9
182.35263	6.5
191.10703	23.6
193.48572	4.9
209.11703	7.2
227.12843	12.8
254.89189	6.1
261.22061	7.7
269.13071	6.2
283.15298	51.8
301.16376	55.9
335.25708	52.9
336.12396	8.6
409.21860	5.9
561.37823	100.0
603.62897	5.8
655.62128	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1976
Annotation	Quercetin 3-sambubioside-7-glucoside
Peak:m/z	Relative Intensity
55.01871	0.3
57.03432	1.2
61.02924	2.3
67.70626	0.2
69.03433	1.7
73.02930	3.4
85.02914	4.0
90.45321	0.2
91.03935	1.0
97.02901	3.4
115.03896	1.2
127.03918	0.9
133.04984	0.3
137.02362	0.2
145.04913	0.4
160.82350	0.2
163.05991	0.2
163.10120	0.2
165.01843	0.2
169.19736	0.2
269.65131	0.2
303.04993	100.0
315.04874	0.4
345.05829	0.4
386.19943	0.3
435.09210	0.2
465.10300	27.0
597.14655	0.3
627.15332	1.7
769.63660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2796
Annotation	Kuwanon W
Peak:m/z	Relative Intensity
63.32128	0.3
69.85468	0.3
85.38443	0.2
105.07056	0.3
118.17799	0.3
118.72151	0.3
141.06757	0.3
147.08041	0.4
161.02321	1.8
161.05986	1.6
163.03847	0.3
167.03383	0.5
175.07539	0.5
185.05945	1.5
203.07024	100.0
204.13832	0.3
215.11404	0.4
252.79012	0.3
257.52039	0.3
269.11707	7.8
269.14362	0.5
299.05487	5.9
311.05545	0.5
319.08362	0.4
320.09274	0.5
321.11441	2.2
334.10928	0.6
335.11066	0.4
339.12195	2.4
355.11923	2.5
363.08762	0.4
365.10208	5.0
405.16971	1.7
421.16257	0.4
703.21527	0.3
759.27832	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05520	15.7
57.03446	18.4
67.05512	26.9
69.07059	8.6
79.05492	34.9
80.01034	2.2
80.68427	2.1
81.07070	33.9
83.04978	2.6
83.08626	5.2
85.06539	9.4
86.11198	2.3
91.05479	29.6
93.07050	37.6
95.04968	3.4
95.08604	18.1
97.10165	8.2
105.07045	21.1
105.17144	2.0
107.04989	3.5
107.08593	18.3
109.06538	13.0
109.10155	13.6
117.07021	21.8
119.08595	25.0
121.06507	3.1
121.10148	18.5
125.09694	4.8
129.06995	10.4
131.08595	24.3
133.10143	11.3
135.08109	8.5
135.11737	4.7
143.08546	11.9
145.06519	2.8
145.10132	20.1
147.08081	18.1
149.13269	2.6
155.08627	2.9
157.10124	10.9
159.08076	4.3
159.11693	13.8
159.80539	2.1
161.09612	10.3
163.11192	2.7
169.10088	2.2
171.11688	10.9
173.13300	4.3
175.11154	8.8
183.11732	4.0
194.94873	2.1
199.14871	3.0
201.12781	2.9
217.15878	8.8
227.12642	2.3
231.17461	3.2
256.00656	2.3
273.18387	21.1
307.22653	34.2
334.10651	2.6
347.22122	22.0
412.96710	2.4
579.40448	100.0
587.47131	3.0
597.41370	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04186	0.2
74.48856	0.3
82.17307	0.3
100.30692	0.3
108.14365	0.3
114.78970	0.3
126.12507	0.3
151.53108	0.3
156.32980	0.3
211.40178	0.3
273.08057	0.4
290.08072	11.4
292.09601	1.4
302.08133	3.3
304.06018	11.3
304.09503	0.4
308.12619	0.4
318.07596	14.2
319.08383	57.4
320.09140	7.6
321.09891	3.2
334.10724	100.0
335.11093	1.1
336.12280	73.9
716.23157	1.7
760.22034	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05044	0.3
58.06602	0.4
68.73663	0.3
70.82853	0.4
89.07343	0.3
99.04415	0.4
103.51421	0.4
109.09959	0.3
111.05575	0.3
120.91074	0.3
171.10370	0.4
219.10141	0.7
247.09688	0.7
279.08591	0.5
279.12161	0.5
290.08084	12.2
302.08182	4.1
304.06018	10.0
305.06256	0.4
306.07608	0.9
307.07977	0.4
308.09021	1.5
309.09549	0.8
318.07608	14.2
319.08386	60.9
320.09131	5.8
321.09491	0.6
334.10730	100.0
335.11105	0.4
336.08536	0.5
336.12241	6.0
338.14236	0.5
370.95245	0.4
420.48792	0.4
716.23279	1.8
760.22217	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05044	0.3
58.06602	0.4
68.73663	0.3
70.82853	0.4
89.07343	0.3
99.04415	0.4
103.51421	0.4
109.09959	0.3
111.05575	0.3
120.91074	0.3
171.10370	0.4
219.10141	0.7
247.09688	0.7
279.08591	0.5
279.12161	0.5
290.08084	12.2
302.08182	4.1
304.06018	10.0
305.06256	0.4
306.07608	0.9
307.07977	0.4
308.09021	1.5
309.09549	0.8
318.07608	14.2
319.08386	60.9
320.09131	5.8
321.09491	0.6
334.10730	100.0
335.11105	0.4
336.08536	0.5
336.12241	6.0
338.14236	0.5
370.95245	0.4
420.48792	0.4
716.23279	1.8
760.22217	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59149	0.2
54.43660	0.2
58.06595	0.2
60.46634	0.2
70.67931	0.2
75.73476	0.2
78.93084	0.2
80.78146	0.2
99.04459	0.2
137.05910	0.3
137.73730	0.2
175.03918	0.3
207.06476	0.5
290.08139	0.3
292.09698	3.1
318.07553	1.0
319.08362	1.2
320.09164	100.0
321.09872	0.2
334.10858	2.5
336.12314	1.8
411.07297	0.3
418.12656	0.3
426.09802	0.4
760.25702	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59149	0.2
54.43660	0.2
58.06595	0.2
60.46634	0.2
70.67931	0.2
75.73476	0.2
78.93084	0.2
80.78146	0.2
99.04459	0.2
137.05910	0.3
137.73730	0.2
175.03918	0.3
207.06476	0.5
290.08139	0.3
292.09698	3.1
318.07553	1.0
319.08362	1.2
320.09164	100.0
321.09872	0.2
334.10858	2.5
336.12314	1.8
411.07297	0.3
418.12656	0.3
426.09802	0.4
760.25702	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2952
Annotation	Brosimone B
Peak:m/z	Relative Intensity
53.24424	0.5
53.40925	0.5
74.94014	0.6
85.44997	0.8
87.86990	0.6
107.34435	0.6
121.36118	0.6
131.01436	0.7
137.02364	2.7
137.17761	0.6
149.02348	56.2
151.03818	0.8
161.05986	1.2
161.74391	0.7
163.03970	1.1
167.03397	67.5
187.07643	0.7
203.07031	15.4
205.08606	100.0
215.07043	12.1
229.05023	0.8
241.08464	1.0
257.04514	1.2
267.06528	44.2
271.06058	0.9
271.13272	11.6
281.04599	1.2
295.09558	1.2
299.05536	19.7
311.05609	3.5
323.05692	1.0
323.09238	1.2
323.12830	1.4
325.07767	0.8
341.13852	15.0
349.07114	0.8
355.11810	7.7
363.08807	1.2
365.10205	20.0
395.97141	0.8
407.18393	2.9
421.16522	3.6
595.49841	0.7
687.23029	1.0
761.29486	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.04178	0.4
53.39148	0.4
56.41870	0.5
58.70903	0.4
65.03931	0.5
67.05505	0.9
69.03434	4.1
70.34349	0.4
71.04984	0.8
72.00682	0.4
73.02908	2.1
77.27370	0.4
79.05506	0.8
80.33310	0.4
81.03416	5.5
81.07044	0.8
83.04979	1.1
84.35173	0.5
85.02911	4.0
85.06544	0.9
91.05487	11.4
93.07041	1.0
95.04960	2.6
95.45084	0.5
97.02879	3.1
97.06539	2.2
99.04460	24.7
103.03955	0.5
105.07049	1.8
107.04953	0.8
109.02821	0.5
109.06519	1.1
113.05986	0.6
115.03960	0.7
117.07017	0.7
118.49502	0.5
119.04939	24.9
119.08614	0.6
121.06484	2.2
123.04366	0.7
123.08060	0.9
125.05974	0.8
127.03899	0.9
137.05952	1.0
139.07520	0.8
141.05447	0.5
145.02838	0.9
145.06400	0.6
145.25044	0.5
147.04407	33.3
147.07993	2.0
149.05989	1.2
151.07541	3.8
157.03938	3.5
161.05933	0.9
163.03908	1.0
163.07506	1.0
165.09152	0.7
166.06255	1.0
167.07005	3.3
168.07787	0.5
169.08456	0.5
175.03899	82.9
175.07422	5.0
176.08339	1.1
177.05405	2.1
178.06232	4.5
179.06984	5.2
180.07854	0.5
181.08591	13.7
182.09393	1.0
188.08272	2.6
189.09143	0.6
192.07788	1.7
193.08600	4.1
194.09314	1.0
195.06509	2.4
195.10126	2.8
196.07341	1.1
202.06285	0.5
203.06848	0.9
204.07819	3.1
205.04941	5.6
205.08611	0.8
206.09450	0.6
207.06519	100.0
207.10121	4.9
209.08080	2.9
211.09651	6.3
211.16844	0.7
214.09854	0.5
217.08597	0.7
219.06618	0.6
219.10120	4.7
221.08083	2.7
223.06010	2.8
223.09569	0.7
228.07722	0.9
230.09308	0.6
231.10152	1.8
233.11667	0.9
235.09645	3.3
242.09358	2.3
245.08061	10.1
245.11604	1.7
247.09578	2.7
259.09506	0.8
261.11261	2.0
265.10675	0.9
273.11212	1.0
277.10779	0.8
289.10553	0.9
291.12186	1.9
301.10709	1.0
301.14206	0.5
309.13205	0.9
311.12680	0.7
319.08170	0.7
319.11765	2.1
320.09204	1.9
324.09970	0.6
334.10614	2.2
337.12817	2.2
339.12329	0.8
340.13095	0.6
357.13446	0.7
371.14908	0.8
381.13220	1.1
385.16211	0.9
399.14337	10.8
399.58795	0.5
403.17145	1.1
417.15079	0.6
421.18600	2.0
435.16495	2.4
453.17471	1.1
464.43774	0.6
501.20923	0.6
509.34799	0.5
514.24603	0.5
645.24994	1.8
659.22339	0.7
761.30658	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.2
54.19218	1.8
57.80577	1.9
69.03410	2.2
75.97839	2.1
81.03422	12.6
85.02899	10.7
86.25526	2.2
89.85639	2.2
90.67506	2.0
90.75105	2.1
91.05482	8.9
97.02897	8.9
99.04461	100.0
100.04758	4.3
109.02892	3.3
112.79397	1.9
119.04932	9.5
135.04399	2.4
145.02798	2.6
146.28711	2.5
147.04393	13.2
149.05966	3.8
151.07539	9.6
162.03105	3.4
163.03896	11.5
166.06238	8.5
167.06993	9.3
173.05894	2.6
175.03871	26.5
177.05479	14.0
177.81308	2.5
178.06241	38.1
179.07018	14.4
181.05070	3.6
181.08615	20.7
188.08391	5.3
189.09071	3.5
191.07089	9.5
193.08607	3.2
194.09346	11.8
195.06393	5.1
202.60564	2.3
204.07861	19.5
205.04936	46.5
205.08510	3.3
207.06482	37.3
207.10077	4.1
209.08043	23.4
216.11430	2.4
219.10072	15.9
223.05998	27.4
245.08055	16.0
247.09470	2.5
259.13254	3.1
263.09128	5.4
265.10770	4.6
277.14212	2.7
319.08267	5.2
320.09097	5.5
334.10690	19.6
335.11053	5.1
336.12137	2.9
337.12570	2.7
367.11807	3.3
397.12689	3.1
399.14374	31.9
417.15225	13.3
565.21124	2.9
634.67798	2.6
761.23676	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02642	0.2
63.45812	0.2
76.26495	0.2
77.27749	0.2
96.36821	0.3
128.74911	0.3
152.86584	0.3
188.77879	0.2
290.08069	7.8
302.08112	2.8
304.06036	7.8
318.07593	11.3
319.08380	53.4
320.09262	0.4
334.10721	100.0
336.12277	1.7
356.08813	0.3
357.09860	0.3
372.12299	2.8
400.11951	0.3
418.12955	0.4
464.13089	0.3
608.18127	0.7
762.20526	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34502	0.4
54.73507	0.5
55.43508	0.4
56.58035	0.4
57.58318	0.4
70.26843	0.4
89.07254	0.4
107.08027	0.5
149.30760	0.4
208.86987	0.5
276.06439	0.5
290.08051	7.6
302.08063	2.5
304.06046	7.1
318.07626	9.4
319.08380	53.2
320.09030	0.8
332.61288	0.5
334.10724	100.0
336.12250	6.2
372.12384	2.4
372.17508	0.5
461.88043	0.5
762.23602	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54963	0.2
98.66977	0.2
188.93420	0.3
227.90280	0.3
290.08130	6.1
302.08078	2.0
304.06033	6.7
318.07590	9.1
319.08389	47.6
320.09055	2.9
334.10736	100.0
336.12350	0.3
344.49554	0.3
372.12216	1.1
464.13339	0.3
504.76242	0.3
590.16925	0.3
608.17743	3.3
762.23889	48.3
794.75989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61792	0.3
59.32084	0.3
98.48138	0.3
143.84769	0.3
178.47655	0.3
181.45512	0.3
233.37167	0.3
261.57047	0.3
267.29489	0.3
277.08441	0.3
290.08096	4.3
302.08136	1.4
304.06049	4.7
318.07565	4.8
319.08395	37.3
320.09113	2.2
321.09351	0.4
334.10730	100.0
336.12283	1.9
655.90424	0.3
762.31384	30.0
764.68219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.06604	26.0
59.54680	0.4
69.35853	0.4
79.59514	0.4
79.62425	0.4
84.08137	10.5
91.51250	0.4
102.09181	18.2
107.04953	8.4
111.62521	0.5
135.08046	100.0
147.08014	0.5
156.59601	0.5
161.09650	2.2
173.09601	11.6
191.10619	6.2
209.11702	23.5
273.37335	0.5
318.07602	0.5
318.13846	0.5
319.08203	0.7
320.09213	1.6
334.10895	1.0
343.15158	0.6
370.85193	0.5
404.24243	15.7
404.29266	0.6
444.27347	0.8
477.60202	0.6
757.03864	0.5
762.42126	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	24.7
61.24478	0.8
64.85476	0.8
65.78596	0.8
81.58407	1.1
84.08147	9.5
95.04931	1.2
102.09184	17.3
107.04974	8.0
135.08058	100.0
141.75188	1.0
146.93169	0.9
148.23015	0.8
161.09659	1.5
168.92064	1.0
173.09647	12.4
191.10770	4.4
209.11742	25.5
259.00623	1.1
290.08359	1.2
318.07785	1.3
319.08517	6.9
320.09265	4.2
321.10004	1.2
334.10623	12.4
335.11105	1.2
336.12167	1.3
343.15845	1.1
404.24411	15.3
513.83514	1.0
762.42169	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83108	0.6
70.06564	0.7
72.83228	0.6
77.85030	0.5
112.00143	0.5
290.08456	0.6
323.10242	2.5
334.10663	2.8
336.12180	1.0
409.11789	3.0
413.11548	1.1
425.11380	3.9
426.11569	0.7
427.13110	6.7
443.12302	15.5
470.11816	0.8
488.12164	1.1
503.14456	100.0
763.23309	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
61.99940	1.8
73.09660	1.9
73.52867	2.0
81.03423	2.5
85.02913	4.0
96.76265	1.6
97.02905	2.2
99.04462	18.6
103.05457	2.6
131.04913	3.4
147.07919	2.6
151.07484	2.9
154.72281	2.0
156.22456	1.9
161.05972	11.3
175.07516	11.0
176.03214	2.3
176.06850	4.0
176.08325	100.0
177.09135	2.3
181.08600	32.8
187.03917	2.6
191.07025	45.7
192.07826	23.4
195.10297	2.3
205.08501	2.3
206.09372	49.5
207.10162	85.6
215.03407	12.8
221.08136	8.2
227.68939	2.4
233.04434	15.4
318.07523	2.4
319.08365	26.0
320.08887	24.1
321.09598	4.0
334.10788	51.1
335.11063	36.4
336.12064	4.5
337.12814	13.0
380.39182	2.3
383.11084	2.8
401.12320	11.7
517.16974	2.8
583.21906	18.6
601.22943	39.2
636.81708	2.7
763.28668	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37299	0.1
68.03462	0.1
75.64773	0.1
84.50394	0.1
85.35104	0.1
87.28854	0.1
230.40947	0.1
275.39969	0.1
290.08087	0.9
292.09604	2.8
304.05865	0.2
318.07693	1.1
319.08368	1.9
320.09158	100.0
334.10727	2.9
336.12085	0.2
764.08356	0.2
764.21753	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37299	0.1
68.03462	0.1
75.64773	0.1
84.50394	0.1
85.35104	0.1
87.28854	0.1
230.40947	0.1
275.39969	0.1
290.08087	0.9
292.09604	2.8
304.05865	0.2
318.07693	1.1
319.08368	1.9
320.09158	100.0
334.10727	2.9
336.12085	0.2
764.08356	0.2
764.21753	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59455	0.2
57.28271	0.2
61.90784	0.2
63.10987	0.2
65.41089	0.3
117.89593	0.3
137.25893	0.3
154.10701	0.3
170.87923	0.2
276.06467	0.4
290.08105	8.8
292.09698	0.3
302.08148	2.5
304.06015	7.7
318.07565	10.3
319.08383	49.8
334.10724	100.0
336.12274	0.4
764.26672	25.6
777.77924	0.3
794.26416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86732	0.2
68.33878	0.2
73.91167	0.3
80.43621	0.3
90.16680	0.3
96.49982	0.3
106.77278	0.3
141.84662	0.3
257.42657	0.3
260.32617	0.3
275.75372	0.3
290.08090	7.0
302.08118	2.2
304.06055	6.2
318.07593	8.3
319.08389	43.1
321.10034	0.4
334.10727	100.0
336.12360	2.0
339.59525	0.3
602.24091	0.6
752.22302	0.3
764.29102	24.9
773.47546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11726	0.5
69.03433	0.7
81.03438	0.7
91.05476	0.8
93.45991	0.6
111.25661	0.7
119.04966	1.7
128.77448	0.7
131.04929	0.6
134.73788	0.7
137.05960	1.4
137.64647	0.6
140.26201	0.7
147.04402	4.0
151.03912	1.7
161.05927	0.8
163.07512	1.2
175.03912	16.4
177.05496	1.1
185.22636	0.6
191.07056	3.4
201.05423	1.1
207.06520	30.9
244.95375	0.7
257.43921	0.7
263.09143	0.8
266.66092	0.7
290.08087	6.6
302.08188	1.6
304.06042	7.7
318.07611	11.6
319.08380	51.0
320.09073	1.2
321.09805	2.7
322.10565	0.9
334.10727	100.0
336.12323	8.7
337.12640	1.5
338.13727	0.8
342.56827	0.8
369.11615	0.9
387.14304	2.6
480.93021	0.8
561.10504	0.8
764.28943	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11042	0.2
60.13808	0.2
67.40081	0.2
73.78067	0.2
74.86714	0.2
95.25158	0.2
164.13048	0.2
167.98680	0.2
175.03781	0.4
207.06480	1.2
290.08109	7.3
296.51111	0.2
302.08044	1.7
304.06030	6.2
318.07617	10.3
319.08395	46.3
334.10727	100.0
336.12442	0.4
426.98386	0.3
602.24078	0.4
605.84320	0.3
685.51636	0.2
764.28876	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90386	1.7
81.03411	2.1
84.59264	2.1
86.40734	1.9
93.45567	1.9
103.05494	4.1
107.04929	2.2
113.04090	1.8
119.04964	3.6
124.02917	1.9
131.04916	29.5
133.06450	2.5
137.05989	60.0
143.54420	2.0
147.04420	3.4
149.06039	2.0
151.03908	71.1
153.05469	3.1
159.07866	2.0
161.05975	2.6
161.89891	1.8
163.07518	18.4
165.05449	3.7
167.07057	12.6
175.03841	2.0
175.07550	6.7
177.05566	2.0
177.09229	2.7
179.07042	11.4
181.04997	25.5
189.09138	3.4
191.07036	100.0
205.08621	3.9
207.06511	8.7
207.10133	2.9
249.08992	3.3
263.09158	11.4
290.07977	2.3
306.07733	2.1
319.08374	10.7
320.09119	14.6
321.09952	3.6
322.10016	2.3
327.12341	3.3
329.13571	2.6
334.10660	25.5
336.12408	13.6
355.11850	2.9
359.14627	2.7
369.13025	2.9
387.14392	76.3
431.79514	2.1
442.93259	2.1
549.20801	4.5
622.46625	2.3
672.28333	2.0
708.25122	2.1
764.27307	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14508	1.4
64.15752	1.2
71.40887	1.3
92.21469	1.6
98.05106	1.4
99.04440	1.7
105.07008	1.7
108.65446	1.3
125.43710	1.7
133.06505	2.5
159.08206	1.9
160.20326	1.4
161.05914	2.4
164.26299	1.8
166.06245	5.8
175.07471	2.6
181.08592	51.1
190.06340	10.3
191.07028	5.3
196.74994	1.4
199.07558	26.8
205.08594	34.4
257.65344	1.5
276.11496	1.6
289.08539	3.5
292.09619	3.6
303.09985	1.8
304.10803	11.3
305.08322	3.5
305.11563	20.4
307.13165	2.6
320.09140	100.0
321.11240	28.9
322.10803	2.1
334.10727	8.6
335.12714	6.8
336.13544	52.0
337.10760	3.4
338.14084	3.2
367.15347	89.8
427.17664	18.6
728.08990	1.7
749.36920	1.7
764.24225	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
65.03927	0.7
69.03413	1.1
79.11796	0.7
81.03419	2.9
85.02911	1.2
91.04949	0.7
91.05484	3.4
97.43451	0.7
109.02867	1.2
117.60477	0.7
119.04951	8.9
131.04924	3.2
133.06482	0.9
135.07997	0.7
137.05989	6.7
147.04413	16.5
151.03902	4.6
151.07529	1.1
153.05444	1.2
157.03923	1.0
161.06003	1.0
163.07526	3.4
165.09015	0.8
167.07010	4.3
168.07378	0.7
175.03897	59.3
175.07498	3.4
179.07066	1.2
181.04951	2.7
181.36729	0.6
191.07030	8.2
201.05469	7.2
203.06947	0.8
207.06519	100.0
219.10144	1.0
231.06493	1.2
237.60541	0.7
267.10175	1.0
277.08386	0.8
290.08136	4.5
293.08139	0.9
295.09604	1.2
301.10571	0.8
304.06128	3.7
318.07733	5.6
319.08398	23.3
320.09210	5.3
321.09760	2.7
327.12305	1.3
334.10709	54.7
336.12445	5.3
339.12201	3.7
340.12817	1.0
341.13757	1.3
351.10812	3.2
355.11731	1.3
359.14951	1.0
367.11719	1.6
369.11627	7.9
383.14890	3.7
387.14276	6.8
413.15897	1.0
517.16882	3.3
683.59680	0.9
764.28986	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	2.2
70.10023	2.0
70.18191	2.0
70.62397	1.9
76.62782	2.3
104.02494	2.4
114.11369	2.8
129.07019	4.6
133.06482	5.1
144.00789	2.5
159.08078	4.2
161.05969	13.2
166.06195	10.4
172.05228	2.7
175.07536	28.5
181.08583	100.0
187.07530	31.3
199.07524	10.3
204.21523	2.5
205.08585	11.6
217.08530	2.3
235.94618	2.4
264.11475	2.7
290.08008	3.5
292.10855	5.0
293.11731	2.6
295.13318	8.6
304.11057	2.6
318.07538	3.7
319.08307	18.2
320.09167	12.6
321.11032	4.5
323.12411	3.9
324.13589	15.3
334.10681	44.9
335.11438	2.8
336.13058	13.3
340.13013	3.6
355.15378	40.5
367.15277	24.5
385.16425	39.4
764.24078	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86561	0.5
56.81298	0.5
68.08292	0.6
70.46120	0.5
70.65612	0.5
83.01389	0.5
89.14227	0.6
98.05210	0.7
99.99200	0.7
174.78818	0.6
234.91458	0.6
234.97304	0.6
292.09885	2.5
308.13184	0.7
310.38791	0.6
320.09061	5.8
321.09927	6.3
336.12283	100.0
764.22583	1.2
764.36371	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22924	0.2
65.87902	0.3
95.93546	0.4
155.89545	0.3
182.21191	0.4
184.07233	0.3
184.25694	0.3
225.53168	0.3
226.47998	0.3
254.65225	0.3
292.09601	2.3
306.07394	0.4
308.12851	1.2
320.09164	6.0
321.09937	6.4
322.10303	0.4
336.12277	100.0
449.84790	0.4
630.33795	0.5
764.36377	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01392	1.6
75.82327	1.8
81.36787	1.6
87.26163	2.0
119.15968	1.9
135.04396	2.1
188.07071	9.4
189.07838	2.8
206.08084	2.8
215.36629	1.8
225.13284	2.2
294.58459	2.0
296.09244	2.1
303.14291	2.3
310.07001	20.6
324.12357	3.1
325.09445	100.0
328.07236	2.1
340.11798	65.5
342.13486	14.1
544.13409	2.1
616.36761	2.2
764.39954	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.03441	3.0
57.07083	24.9
60.55915	1.3
67.05510	6.9
69.07088	1.7
71.08632	16.7
72.11521	1.4
81.07064	7.5
83.08614	7.9
85.10188	10.8
92.21011	2.1
95.08609	15.2
97.10158	2.6
98.98447	14.2
109.10165	9.1
123.11738	2.2
155.01045	17.3
171.83453	1.7
173.02104	3.0
262.65991	1.7
263.05862	2.6
313.27347	100.0
449.26700	31.2
467.27600	9.7
522.22882	2.6
764.40881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37046	1.0
58.78350	1.1
73.21838	1.2
74.72584	1.2
77.84623	1.2
78.61246	1.3
92.20924	2.0
92.60720	1.4
107.04926	1.6
117.89445	1.3
135.04454	2.1
160.15959	1.5
163.03918	10.7
165.05502	3.3
168.84895	1.2
170.57796	1.6
190.05064	6.3
193.04974	43.5
195.60034	1.2
207.06624	1.7
220.06068	9.6
233.60934	1.3
276.06616	2.5
280.07281	1.4
290.08282	1.7
307.08313	1.8
318.07867	1.8
321.10181	2.2
322.10620	1.8
322.67429	1.4
323.09241	5.2
331.06918	1.6
336.12338	10.6
337.12869	2.1
340.11691	2.2
350.10339	1.8
351.08752	6.2
364.08536	2.1
434.22470	1.3
448.08093	1.9
462.10043	1.6
498.11105	1.5
558.14215	5.3
724.19427	3.1
741.86859	1.7
765.19244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39884	1.9
76.86004	2.2
98.06080	2.2
105.07055	2.9
107.04958	4.7
131.04921	5.4
159.07990	2.3
161.05995	9.8
162.06769	3.8
167.07031	85.8
191.06985	35.0
191.65570	2.6
199.07535	48.2
233.09622	10.7
241.10641	3.7
260.08325	3.5
261.09109	22.7
266.77252	2.3
277.08615	9.8
278.09387	9.2
287.06866	2.7
288.07706	3.3
289.08630	36.9
290.09207	4.5
291.10281	3.9
292.10651	4.0
293.11652	4.0
303.10132	3.1
305.08102	9.4
306.08813	18.7
306.11969	2.5
307.09439	22.0
319.08841	4.6
320.09509	5.4
321.11221	100.0
322.11993	2.8
323.09128	16.3
323.12482	3.0
334.10605	19.1
335.10983	4.3
337.10596	36.6
338.11499	66.2
351.12329	4.6
352.09091	4.2
352.13062	86.1
353.13834	80.2
355.15430	3.1
373.16431	2.5
395.14923	4.7
427.17514	36.6
487.19473	14.3
545.56726	2.6
751.02991	2.6
765.19720	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07098	0.4
59.25770	0.3
60.04532	12.7
67.05508	1.0
68.92773	0.5
69.07076	0.5
74.06084	0.6
77.84546	0.5
79.05497	0.8
80.16130	0.5
81.07067	2.4
82.23747	0.4
84.73178	0.5
91.05504	0.9
93.07055	1.0
95.08624	1.2
96.30773	0.5
105.07033	0.7
107.08619	0.7
109.10165	0.5
118.06622	0.5
119.04906	0.5
119.08592	0.6
121.10136	0.9
132.04410	0.8
134.06114	0.6
136.05168	0.7
148.05212	1.9
149.05975	7.3
150.55804	0.5
162.05502	0.9
165.05583	0.7
174.05508	8.1
174.06837	0.7
175.06294	15.7
176.07060	52.7
177.07881	3.4
189.07886	2.0
192.06551	35.2
194.08101	6.2
198.10501	0.5
200.08559	0.5
201.09128	0.7
202.09908	1.3
214.09920	9.4
214.11819	0.7
216.06596	4.6
216.11482	4.5
217.07410	2.5
217.12325	1.1
229.12224	32.6
231.13884	2.7
241.12347	1.0
243.13895	0.5
259.13235	0.7
262.25351	1.2
269.11710	5.2
270.14734	0.6
280.26398	2.1
286.14526	1.2
292.09692	1.9
292.59546	0.5
298.27441	0.8
316.28537	1.2
320.09268	2.8
321.09915	7.2
336.12296	23.6
346.10968	1.2
346.14709	0.9
358.14291	0.6
360.12668	1.2
374.14008	2.2
375.14713	2.7
390.17007	14.0
390.21640	0.7
398.55899	0.6
404.14825	0.7
432.18304	2.3
450.19217	1.0
514.45148	0.6
738.82672	0.6
747.45905	0.9
765.46832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.5
55.05510	10.3
57.03431	27.4
57.07079	23.5
67.05522	21.5
67.22175	2.3
69.07079	6.4
71.08627	15.8
78.95705	2.7
79.05490	14.0
80.67622	2.5
81.07074	21.1
83.08618	17.8
85.06523	3.8
85.10172	14.1
91.05466	28.7
93.07050	11.8
95.05001	3.2
95.08602	23.9
97.10122	3.8
105.07044	15.5
107.04951	4.1
107.08598	5.0
109.06528	27.7
109.10142	6.2
111.08089	3.1
117.07034	31.0
118.43443	2.9
119.08585	21.9
121.10133	5.4
129.07001	15.6
131.08583	18.9
133.10141	6.8
135.08055	12.9
141.06972	5.4
143.08549	12.9
145.10109	26.6
147.08043	24.4
147.11705	3.8
155.08513	3.0
157.10114	22.2
159.11685	16.0
161.09567	6.2
171.11685	5.5
173.09630	4.6
173.13187	5.0
175.11198	5.0
183.11661	5.6
199.14748	10.6
201.12698	13.0
217.15819	14.8
222.16472	2.6
237.16267	4.2
255.17513	6.5
273.18509	39.4
313.27377	38.4
347.22055	63.8
457.71286	3.1
585.36560	4.4
585.45270	100.0
603.46094	43.1
634.10199	3.4
765.47308	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08684	0.3
59.11733	0.3
72.25006	0.3
80.66685	0.3
88.70621	0.3
111.99032	0.3
130.66772	0.3
138.20560	0.3
232.86139	0.4
255.23532	0.3
276.06268	0.3
290.08124	9.3
302.08142	3.5
304.06046	9.4
318.03845	0.5
318.07614	12.7
319.08398	57.3
320.09131	10.9
334.10736	100.0
335.11240	0.6
336.12177	0.6
439.95926	0.4
494.26782	0.3
766.28644	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08684	0.3
59.11733	0.3
72.25006	0.3
80.66685	0.3
88.70621	0.3
111.99032	0.3
130.66772	0.3
138.20560	0.3
232.86139	0.4
255.23532	0.3
276.06268	0.3
290.08124	9.3
302.08142	3.5
304.06046	9.4
318.03845	0.5
318.07614	12.7
319.08398	57.3
320.09131	10.9
334.10736	100.0
335.11240	0.6
336.12177	0.6
439.95926	0.4
494.26782	0.3
766.28644	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91434	0.1
62.42610	0.1
64.13216	0.1
64.17863	0.2
92.20907	0.2
167.78633	0.2
169.39502	0.2
177.05519	0.2
278.07968	0.2
284.47147	0.2
292.09671	8.3
302.48227	0.2
304.09659	1.4
306.07602	2.3
319.08188	0.7
320.05380	0.4
320.09164	11.4
321.09961	26.7
334.10818	2.0
335.10989	0.3
336.12292	100.0
337.12726	0.7
338.13754	0.3
432.76843	0.2
515.02069	0.2
766.30646	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96577	0.2
63.79120	0.2
83.22794	0.2
89.80556	0.3
93.13268	0.2
97.20670	0.2
161.09692	0.2
170.05165	0.2
173.32626	0.2
177.05466	0.4
251.48810	0.3
278.08047	0.4
292.09665	8.9
304.09561	1.6
306.07623	3.0
307.08160	0.3
319.08401	1.0
320.09158	9.8
321.09940	27.0
334.10748	2.5
335.11148	2.1
336.12289	100.0
337.12888	0.6
338.13849	0.3
352.15262	0.5
766.30328	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83541	0.2
61.05072	0.2
62.72676	0.2
70.98486	0.2
72.90158	0.2
112.45042	0.3
130.96516	0.3
137.95155	0.3
198.15221	0.3
292.09625	8.2
304.09735	1.4
306.07571	2.9
319.08334	1.4
320.09131	11.5
321.09952	23.9
334.10748	2.7
335.11078	3.2
336.12283	100.0
490.32059	0.3
766.30438	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06563	0.2
70.62446	0.2
109.39316	0.2
116.71011	0.2
131.70880	0.2
154.28728	0.2
158.77998	0.2
162.44553	0.2
162.45924	0.2
183.38808	0.2
226.76051	0.2
242.60005	0.2
292.09650	6.3
304.09662	1.2
306.07660	2.6
318.07315	0.2
318.61996	0.2
319.08249	0.4
320.09177	10.3
321.09943	25.6
334.10660	1.3
335.11172	0.2
336.12286	100.0
337.12622	0.8
338.13763	0.3
463.65619	0.2
573.61316	0.2
766.30261	9.4
777.34235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91434	0.1
62.42610	0.1
64.13216	0.1
64.17863	0.2
92.20907	0.2
167.78633	0.2
169.39502	0.2
177.05519	0.2
278.07968	0.2
284.47147	0.2
292.09671	8.3
302.48227	0.2
304.09659	1.4
306.07602	2.3
319.08188	0.7
320.05380	0.4
320.09164	11.4
321.09961	26.7
334.10818	2.0
335.10989	0.3
336.12292	100.0
337.12726	0.7
338.13754	0.3
432.76843	0.2
515.02069	0.2
766.30646	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91434	0.1
62.42610	0.1
64.13216	0.1
64.17863	0.2
92.20907	0.2
167.78633	0.2
169.39502	0.2
177.05519	0.2
278.07968	0.2
284.47147	0.2
292.09671	8.3
302.48227	0.2
304.09659	1.4
306.07602	2.3
319.08188	0.7
320.05380	0.4
320.09164	11.4
321.09961	26.7
334.10818	2.0
335.10989	0.3
336.12292	100.0
337.12726	0.7
338.13754	0.3
432.76843	0.2
515.02069	0.2
766.30646	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51665	0.1
62.97527	0.1
86.09505	0.1
101.44114	0.1
126.22278	0.1
133.02496	0.1
270.81000	0.1
275.09479	0.3
278.07672	0.2
291.08987	0.3
292.09662	8.1
304.09747	1.2
305.10480	0.2
306.07587	2.2
320.05383	0.3
320.09186	9.7
321.09964	26.6
336.12296	100.0
339.03638	0.2
513.53040	0.2
588.89459	0.2
598.84595	0.2
633.34436	0.2
766.30865	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
64.92818	0.7
65.03945	1.0
69.03441	1.7
72.22108	0.7
81.03445	1.4
84.41027	0.8
85.02907	6.4
85.32303	0.8
93.03426	0.9
93.45822	0.9
97.02876	1.3
97.88782	0.8
103.05455	1.0
107.04949	4.0
108.21449	0.7
110.03696	1.1
111.04444	5.2
119.04939	1.5
121.02856	3.5
121.06487	1.2
125.06003	3.5
127.03948	1.3
129.07062	1.0
131.04924	3.0
133.02837	5.1
137.05968	13.3
145.06592	0.9
147.04414	5.4
149.05972	1.6
151.07542	8.4
153.05461	16.0
157.06493	4.7
159.08067	1.7
161.05977	3.5
161.09610	3.3
163.07555	4.3
165.09076	0.9
167.07050	16.1
174.06845	1.1
175.07587	3.9
177.05441	5.7
177.09082	3.8
179.07063	3.7
181.04938	12.7
181.08589	6.6
187.07542	1.9
189.09105	10.9
191.07025	4.7
193.08589	2.0
195.08163	1.1
195.10164	1.9
205.08469	1.2
217.08531	3.4
219.10127	7.4
221.09663	1.8
225.09143	1.8
237.09029	1.4
238.09872	0.9
239.07057	1.0
240.07814	1.8
248.08311	0.9
249.09029	5.0
250.09811	0.9
252.07532	1.2
253.08626	11.3
253.12193	6.3
254.09445	1.5
255.10092	1.6
266.09332	0.9
267.10190	4.8
269.08096	1.3
277.08548	4.0
279.10135	1.6
281.08078	4.0
281.11746	9.7
283.09796	5.9
283.12790	1.1
284.10278	1.6
285.11151	3.7
285.14462	1.2
292.10687	1.1
293.11569	1.3
295.09613	4.9
296.10464	1.0
297.11148	2.0
298.11945	3.2
299.12695	8.6
300.09796	8.3
309.11191	9.6
310.11963	3.4
311.12805	2.0
312.09824	1.6
313.10666	42.2
313.14352	32.7
315.12183	1.5
319.08344	1.0
320.09338	1.3
321.10837	1.5
325.10623	1.0
326.11426	3.3
327.12247	39.5
328.13141	3.6
329.13840	1.5
331.15427	12.5
336.12164	8.4
339.12302	14.2
341.13834	23.7
343.15253	1.8
352.15421	1.2
353.13895	1.6
355.15457	3.0
357.13446	1.8
359.14874	100.0
361.16452	9.5
367.15344	1.8
371.14853	21.7
373.16422	5.4
385.16476	1.3
389.15918	18.1
500.34793	0.9
509.21631	5.7
521.21368	8.2
533.20215	1.3
539.22485	3.7
551.21289	3.3
620.20691	0.8
766.24622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
64.92818	0.7
65.03945	1.0
69.03441	1.7
72.22108	0.7
81.03445	1.4
84.41027	0.8
85.02907	6.4
85.32303	0.8
93.03426	0.9
93.45822	0.9
97.02876	1.3
97.88782	0.8
103.05455	1.0
107.04949	4.0
108.21449	0.7
110.03696	1.1
111.04444	5.2
119.04939	1.5
121.02856	3.5
121.06487	1.2
125.06003	3.5
127.03948	1.3
129.07062	1.0
131.04924	3.0
133.02837	5.1
137.05968	13.3
145.06592	0.9
147.04414	5.4
149.05972	1.6
151.07542	8.4
153.05461	16.0
157.06493	4.7
159.08067	1.7
161.05977	3.5
161.09610	3.3
163.07555	4.3
165.09076	0.9
167.07050	16.1
174.06845	1.1
175.07587	3.9
177.05441	5.7
177.09082	3.8
179.07063	3.7
181.04938	12.7
181.08589	6.6
187.07542	1.9
189.09105	10.9
191.07025	4.7
193.08589	2.0
195.08163	1.1
195.10164	1.9
205.08469	1.2
217.08531	3.4
219.10127	7.4
221.09663	1.8
225.09143	1.8
237.09029	1.4
238.09872	0.9
239.07057	1.0
240.07814	1.8
248.08311	0.9
249.09029	5.0
250.09811	0.9
252.07532	1.2
253.08626	11.3
253.12193	6.3
254.09445	1.5
255.10092	1.6
266.09332	0.9
267.10190	4.8
269.08096	1.3
277.08548	4.0
279.10135	1.6
281.08078	4.0
281.11746	9.7
283.09796	5.9
283.12790	1.1
284.10278	1.6
285.11151	3.7
285.14462	1.2
292.10687	1.1
293.11569	1.3
295.09613	4.9
296.10464	1.0
297.11148	2.0
298.11945	3.2
299.12695	8.6
300.09796	8.3
309.11191	9.6
310.11963	3.4
311.12805	2.0
312.09824	1.6
313.10666	42.2
313.14352	32.7
315.12183	1.5
319.08344	1.0
320.09338	1.3
321.10837	1.5
325.10623	1.0
326.11426	3.3
327.12247	39.5
328.13141	3.6
329.13840	1.5
331.15427	12.5
336.12164	8.4
339.12302	14.2
341.13834	23.7
343.15253	1.8
352.15421	1.2
353.13895	1.6
355.15457	3.0
357.13446	1.8
359.14874	100.0
361.16452	9.5
367.15344	1.8
371.14853	21.7
373.16422	5.4
385.16476	1.3
389.15918	18.1
500.34793	0.9
509.21631	5.7
521.21368	8.2
533.20215	1.3
539.22485	3.7
551.21289	3.3
620.20691	0.8
766.24622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88739	0.5
54.43204	0.5
54.49078	0.4
62.22984	0.5
63.88549	0.5
65.03930	2.9
66.48919	0.5
73.05576	0.6
74.73894	0.5
77.07797	0.5
82.42288	0.5
91.05444	0.5
93.03385	2.3
107.04992	0.9
110.03678	2.9
111.04425	7.6
119.04903	1.1
121.02850	6.4
125.05988	6.9
131.41521	0.6
133.02841	0.9
137.06003	2.7
145.06531	0.6
147.04408	2.1
149.02353	1.0
151.07492	0.9
153.05461	32.2
159.08026	1.1
161.09619	0.8
162.06737	1.1
163.03908	0.7
167.07028	3.7
175.97934	0.6
178.35403	0.6
179.07071	0.6
181.08463	0.8
188.08229	1.1
189.09116	0.7
195.08012	0.7
197.09624	0.8
205.08430	0.6
210.06804	0.6
221.09642	2.2
223.07556	1.2
225.09047	1.3
237.09143	1.2
238.06256	1.1
238.09796	1.2
239.06953	1.1
240.07819	3.9
248.08302	0.8
249.09026	3.0
249.11296	1.1
250.09874	0.7
252.07837	1.4
253.08580	17.1
253.12155	9.4
254.09268	0.8
255.10216	1.3
265.08560	0.9
266.09338	1.1
267.10095	2.3
269.08258	0.9
270.08853	1.2
271.13263	2.7
277.08643	1.4
279.10117	1.3
281.08072	4.6
281.11697	11.1
282.08917	2.2
283.09698	7.4
283.12756	1.1
284.10434	3.5
285.07294	0.6
285.11197	5.0
285.14862	5.4
294.08801	1.0
295.09634	3.1
296.10733	1.1
297.11224	3.3
298.12000	3.8
299.09378	1.0
299.12750	12.8
300.09827	0.9
303.15897	2.3
309.11234	11.6
310.12030	6.5
311.12515	0.7
313.10663	25.1
313.14325	11.8
326.11328	2.2
327.12247	58.5
328.13007	4.6
331.15353	10.3
338.12213	0.7
339.12354	1.1
341.13876	9.2
343.15491	0.8
355.15640	0.7
359.14859	100.0
361.16507	2.8
371.14752	5.4
377.37097	0.7
381.42902	0.6
389.15891	27.0
397.16638	0.6
509.21555	3.1
521.21442	1.3
539.22876	0.7
754.72473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96137	0.8
55.05518	5.6
63.51087	0.8
66.40713	0.9
66.49284	0.8
66.99208	1.0
67.05508	11.8
69.03411	1.8
69.07065	6.0
71.04994	1.7
73.02915	7.9
79.05480	8.3
81.03422	6.3
81.07055	15.7
83.04988	2.5
83.08620	2.2
85.02904	1.3
91.05485	6.5
91.16582	1.1
93.07044	14.5
95.04945	2.2
95.08607	20.8
97.02882	4.5
97.06506	1.6
99.04462	35.5
105.07035	17.6
107.08607	12.5
109.06541	1.2
109.10180	9.2
111.04456	1.8
117.06999	4.1
119.08578	36.3
121.10143	8.5
123.08062	1.6
123.11681	2.4
125.09679	1.2
126.55694	1.0
127.03894	3.7
131.08578	4.5
133.10129	38.4
135.11720	15.2
137.09607	12.7
141.05440	2.5
145.10152	5.9
147.11700	6.2
149.13257	1.6
157.10106	2.1
159.11685	2.1
163.14899	1.2
171.11652	1.7
173.13226	1.6
175.14818	100.0
181.10138	1.2
187.11143	1.2
193.15871	12.7
207.11748	1.5
243.08670	2.4
261.22232	1.2
303.30069	1.1
313.42715	1.2
314.64334	1.1
341.12036	1.4
351.23270	1.9
369.24219	7.6
387.25317	1.6
405.25992	1.2
466.08133	1.1
467.27869	5.6
485.28909	8.4
503.30069	7.1
521.30627	1.8
546.38867	1.1
734.95721	1.2
766.38031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96137	0.8
55.05518	5.6
63.51087	0.8
66.40713	0.9
66.49284	0.8
66.99208	1.0
67.05508	11.8
69.03411	1.8
69.07065	6.0
71.04994	1.7
73.02915	7.9
79.05480	8.3
81.03422	6.3
81.07055	15.7
83.04988	2.5
83.08620	2.2
85.02904	1.3
91.05485	6.5
91.16582	1.1
93.07044	14.5
95.04945	2.2
95.08607	20.8
97.02882	4.5
97.06506	1.6
99.04462	35.5
105.07035	17.6
107.08607	12.5
109.06541	1.2
109.10180	9.2
111.04456	1.8
117.06999	4.1
119.08578	36.3
121.10143	8.5
123.08062	1.6
123.11681	2.4
125.09679	1.2
126.55694	1.0
127.03894	3.7
131.08578	4.5
133.10129	38.4
135.11720	15.2
137.09607	12.7
141.05440	2.5
145.10152	5.9
147.11700	6.2
149.13257	1.6
157.10106	2.1
159.11685	2.1
163.14899	1.2
171.11652	1.7
173.13226	1.6
175.14818	100.0
181.10138	1.2
187.11143	1.2
193.15871	12.7
207.11748	1.5
243.08670	2.4
261.22232	1.2
303.30069	1.1
313.42715	1.2
314.64334	1.1
341.12036	1.4
351.23270	1.9
369.24219	7.6
387.25317	1.6
405.25992	1.2
466.08133	1.1
467.27869	5.6
485.28909	8.4
503.30069	7.1
521.30627	1.8
546.38867	1.1
734.95721	1.2
766.38031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54152	1.7
57.06863	1.7
57.07088	17.6
65.99783	1.8
66.77815	1.5
67.05508	2.1
68.50983	1.9
69.07064	2.5
71.08636	34.2
73.06569	3.1
79.05481	1.8
83.08609	1.7
85.10199	21.9
87.04472	18.3
89.06036	88.0
89.42924	1.8
91.05493	7.8
93.07054	4.1
107.08594	2.8
108.35754	1.7
119.08631	3.8
121.06529	19.9
131.07069	2.4
133.08604	27.2
135.08083	9.8
135.11726	1.9
147.08125	9.4
149.09637	7.3
149.13338	2.3
163.11226	8.4
165.09123	2.4
177.11272	8.6
177.12698	2.2
177.18796	2.0
198.44080	1.9
206.08807	2.1
244.80240	2.2
247.20540	16.0
249.06252	1.9
291.23264	10.2
328.90314	2.2
335.26019	3.4
340.36813	2.0
685.14075	2.3
749.50269	46.2
766.41223	5.1
766.53229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.5
59.77989	0.3
59.94152	0.3
63.25534	0.3
83.04990	12.5
84.37188	0.4
85.02911	29.9
87.04453	0.4
92.40829	0.3
94.74996	0.4
110.90509	0.4
111.04454	8.0
127.03935	0.8
129.05464	4.4
137.36961	0.4
146.44920	0.4
171.06522	19.2
187.21927	0.4
189.07550	9.0
270.05182	0.6
285.07565	100.0
320.09137	1.9
321.09335	0.4
334.10583	0.5
336.12292	0.9
337.12686	0.9
447.13126	0.6
560.83264	0.5
579.17078	7.5
767.23981	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.2
56.08016	0.2
57.03429	0.3
68.79117	0.2
69.03432	6.0
71.04977	0.3
71.65567	0.2
79.00800	0.2
83.04977	1.9
85.02897	1.1
111.04469	2.1
124.37092	0.2
129.05482	2.3
155.11938	0.2
189.07567	1.2
242.05688	0.5
270.05234	1.1
285.07556	100.0
292.09653	0.5
293.10175	0.3
320.08926	0.8
321.09839	1.9
322.10205	1.4
334.10608	0.8
335.10956	0.3
336.12277	6.7
337.12610	6.1
447.12753	1.4
447.68106	0.2
546.86102	0.2
579.17096	7.9
579.31177	0.3
635.19885	0.4
644.01654	0.2
767.22845	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20788	0.4
80.98302	0.4
83.08614	0.4
121.10123	0.6
139.11203	0.6
139.76093	0.6
230.08034	0.8
259.11969	0.6
260.12820	7.2
272.12674	3.5
274.14380	0.7
278.08102	1.2
294.08322	0.8
294.11209	35.0
308.09146	5.5
309.09802	3.3
322.10712	61.6
323.11490	1.0
324.12274	100.0
339.14603	0.7
340.60544	0.5
356.18576	1.1
398.26706	2.0
426.26385	9.3
444.27374	8.6
757.72180	0.6
767.38885	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37104	0.3
58.06595	0.7
63.40099	0.4
68.77799	0.4
71.33697	0.3
71.66286	0.4
80.43845	0.3
83.80624	0.3
95.50781	0.3
108.85712	0.3
108.94743	0.3
114.18026	0.3
147.64192	0.4
165.05367	0.5
169.03850	0.4
176.44345	0.4
178.12634	0.4
290.08090	13.0
302.08160	4.2
304.06082	11.3
304.09360	0.3
305.06854	0.4
318.07590	16.7
319.08389	60.8
320.09076	8.1
321.09601	0.6
322.10773	1.9
323.35818	0.4
334.10730	100.0
335.10892	0.6
336.12338	2.6
338.13852	0.4
413.12042	0.7
495.48862	0.4
739.04285	0.5
760.96289	0.4
768.22583	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
84.40103	0.5
87.15014	0.5
89.00803	0.4
92.21552	0.5
104.24506	0.6
128.09372	0.5
212.84727	0.5
279.34946	0.6
290.08078	11.4
302.08118	2.9
304.05994	11.5
307.08331	0.8
318.07590	18.1
319.08398	62.1
320.09210	8.0
321.09424	3.7
322.10672	9.1
334.10730	100.0
335.11127	1.0
336.12253	3.8
706.21509	0.8
746.09406	0.6
768.22504	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
84.40103	0.5
87.15014	0.5
89.00803	0.4
92.21552	0.5
104.24506	0.6
128.09372	0.5
212.84727	0.5
279.34946	0.6
290.08078	11.4
302.08118	2.9
304.05994	11.5
307.08331	0.8
318.07590	18.1
319.08398	62.1
320.09210	8.0
321.09424	3.7
322.10672	9.1
334.10730	100.0
335.11127	1.0
336.12253	3.8
706.21509	0.8
746.09406	0.6
768.22504	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71499	0.2
57.18368	0.2
57.85129	0.1
59.13157	0.1
67.57294	0.2
67.79311	0.2
69.03417	0.2
83.60668	0.2
85.02921	0.3
127.03927	0.2
146.92603	0.2
199.89859	0.2
278.07928	0.3
285.07574	1.2
286.07904	0.9
292.09628	6.3
304.09686	0.5
306.04340	0.2
306.07590	1.3
319.08337	0.2
320.09116	7.8
321.09937	22.0
322.10336	0.4
334.10654	1.0
336.12277	100.0
337.12988	1.4
338.13617	1.3
570.72925	0.2
768.32361	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66460	0.4
58.06606	42.6
61.27618	0.4
66.06595	0.4
68.44948	0.3
72.08164	0.5
133.06496	0.5
166.06329	0.8
176.08385	0.7
181.08583	17.7
181.10036	0.8
184.25031	0.5
190.06235	1.1
190.50415	0.5
191.07056	0.5
199.07545	3.1
199.69287	0.5
205.08606	4.2
206.09384	0.5
221.09836	0.6
247.07608	0.7
248.08553	0.6
249.09169	2.5
261.09045	0.6
265.08566	0.5
267.09982	0.6
271.07660	1.6
275.07190	0.4
275.10709	2.4
276.07840	0.6
277.08588	25.4
278.09488	2.3
279.10202	1.7
288.08032	1.0
289.08652	2.3
290.49374	0.4
291.10254	1.9
293.07602	0.5
294.08850	23.5
295.09784	1.0
297.11304	0.6
303.10202	5.5
304.10962	0.6
308.10565	0.8
309.11206	55.8
310.12009	3.5
311.12830	0.8
319.09796	0.6
320.10132	1.9
321.11237	1.1
326.11725	0.5
335.09387	0.5
335.12674	3.4
336.13681	2.9
341.13989	3.1
351.12100	0.5
365.13965	0.9
378.79437	0.5
403.13315	0.5
578.92816	0.5
723.28015	2.0
768.33734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	33.6
77.33027	0.5
85.68220	0.6
104.91319	0.6
161.06007	1.3
166.06277	3.2
175.07600	0.9
176.08420	0.9
181.08600	32.6
190.06210	1.1
199.07539	5.6
205.08583	7.7
207.10257	0.7
229.10178	3.5
243.08185	2.9
247.11295	1.3
257.09589	6.7
260.08328	10.5
271.07553	5.7
273.09250	0.9
274.09839	0.9
275.10660	27.9
285.09296	3.8
286.09937	1.0
288.07855	10.6
289.08710	1.6
290.09665	0.7
303.10144	30.1
304.11072	2.9
305.11774	1.6
317.11951	1.0
320.10504	2.8
321.11368	2.9
335.13000	3.0
336.13550	7.5
585.31604	0.9
624.86945	0.8
723.27917	0.9
731.03894	0.7
768.33710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02170	0.7
58.06607	42.0
80.00033	0.6
96.42307	0.7
133.06520	0.9
134.02611	0.8
146.72195	0.7
151.07578	0.9
161.06032	1.1
166.97816	0.8
176.08324	0.8
181.08588	31.4
190.06270	1.6
199.07639	5.7
201.28046	0.7
205.08578	7.4
215.14101	0.8
229.10165	0.9
235.07751	0.8
243.08133	3.2
245.09708	1.4
257.09595	4.1
260.08371	7.1
271.07516	5.4
273.09390	1.2
275.10626	17.7
275.13297	1.0
277.08664	9.4
277.11612	1.2
285.09250	3.9
288.07785	9.3
291.10135	1.4
294.08881	9.8
303.10138	20.4
304.11032	3.5
305.08572	0.8
305.11658	2.2
309.11200	26.1
310.11990	2.5
317.11630	1.0
319.08823	0.7
320.09650	1.2
321.11166	3.1
334.11038	0.9
335.12766	3.7
336.13519	6.1
341.13870	1.1
367.15500	0.8
421.85464	0.9
618.81934	0.8
723.28058	1.0
768.33795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76162	1.7
57.95900	1.8
58.06606	33.8
58.92168	1.5
60.54648	1.7
65.93684	1.7
77.41167	1.7
80.48988	1.9
104.07677	2.0
145.78943	2.2
181.08585	29.7
183.91809	2.1
199.07588	3.5
199.90370	1.9
205.08734	2.6
243.07968	2.4
257.09698	7.0
260.08377	10.8
271.07648	8.8
273.09042	2.2
275.10623	27.8
288.07922	13.1
303.10120	33.3
305.11655	2.9
320.09509	9.1
321.11179	3.1
334.10583	2.1
336.13486	4.6
404.35519	2.0
541.54205	2.1
743.10645	2.2
768.33838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
61.07150	0.2
75.04496	0.5
83.36908	0.2
91.40789	0.3
95.04970	1.6
107.03835	0.4
107.04955	9.9
108.19126	0.3
109.12108	0.2
109.82321	0.3
117.07101	0.3
131.04942	0.7
133.06432	1.0
135.08051	100.0
145.06476	1.3
145.10133	0.5
147.08003	1.0
155.53079	0.3
158.87624	0.3
159.08009	0.6
161.09633	1.4
171.08034	0.4
173.09604	18.8
174.49239	0.3
187.72322	0.3
191.10649	1.1
192.10208	1.1
207.08374	1.5
209.11714	56.8
225.09418	1.1
263.10962	0.5
267.13718	0.3
304.09671	0.4
305.10464	1.0
320.09161	0.6
334.10687	1.0
336.12167	1.1
337.12531	0.4
338.13721	1.5
350.06577	0.4
362.10089	1.5
363.10510	1.2
364.08292	1.9
413.17749	2.4
431.18741	1.8
547.25140	6.5
565.25854	2.9
583.27039	2.7
701.78186	0.3
768.22668	1.8
768.33636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60646	1.3
57.07072	2.1
58.06619	1.9
64.83453	1.3
66.22942	1.2
68.50738	1.3
89.31425	1.6
89.63649	1.4
93.18143	1.4
165.09117	29.5
174.05501	32.0
186.05618	6.3
187.06345	3.4
290.08368	7.5
292.09857	2.0
293.10602	3.4
306.07578	42.2
306.10736	2.1
307.08276	8.1
308.09326	8.0
310.10992	3.8
320.09268	15.0
321.09918	25.9
322.10815	21.3
324.08704	27.3
324.61188	1.9
325.09512	12.7
334.10922	2.6
336.12283	44.2
336.15903	2.1
338.10440	8.6
339.10956	43.2
340.11771	71.3
352.11987	5.9
585.01093	1.8
614.42682	3.3
768.48383	100.0
768.62274	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89470	0.1
65.68067	0.1
69.03431	1.3
70.06544	0.2
70.24945	0.1
77.89686	0.1
83.04927	0.8
85.02876	0.6
111.04387	0.3
121.72088	0.1
129.05450	0.6
138.82605	0.1
152.37190	0.2
195.06343	0.1
251.76495	0.1
287.05484	100.0
438.51703	0.2
475.12616	0.2
479.62329	0.2
581.15186	0.2
769.21814	13.9
793.33441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
65.95082	0.6
75.04483	0.9
84.03226	0.7
91.05506	1.2
93.03396	4.6
93.07048	1.1
106.04174	6.9
121.06519	9.6
125.06031	2.5
149.05974	19.3
151.07518	0.9
153.09081	5.5
163.07600	1.1
177.05402	10.4
181.08597	6.3
186.05577	2.8
209.08096	9.0
212.42566	0.7
290.08224	3.3
302.08133	1.4
304.06018	4.5
308.09097	7.3
318.07632	6.7
319.08380	30.1
320.09149	1.1
321.09796	0.8
322.10696	24.8
323.11496	1.1
324.12289	4.8
334.10696	100.0
336.08646	2.9
336.12421	3.0
351.11032	8.4
352.11795	18.3
352.15720	1.2
545.93347	0.7
560.18604	0.7
608.35791	0.9
629.21631	0.8
770.27985	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86782	0.2
56.48163	0.2
56.62528	0.3
76.50300	0.3
77.77589	0.3
78.50146	0.3
83.98100	0.2
99.91768	0.3
129.46591	0.3
137.05911	0.4
190.04974	0.3
267.46021	0.3
290.08109	10.6
292.09500	0.4
302.08081	3.1
304.06033	9.1
318.07596	13.1
319.08398	60.8
320.09122	5.7
321.09763	2.0
322.10513	1.8
323.11322	0.7
334.10730	100.0
335.11060	0.6
336.12317	6.2
337.12756	1.2
338.13318	0.7
352.15414	0.4
770.28064	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40664	0.3
71.61646	0.3
76.14045	0.3
85.09348	0.3
273.07736	0.3
290.08078	11.3
302.08078	3.1
304.06021	10.6
304.09500	0.4
318.07602	14.4
319.08377	60.9
320.09076	3.6
321.09521	1.6
322.10455	0.4
334.10721	100.0
335.10959	1.2
336.12320	3.3
337.12811	0.6
383.92642	0.3
567.38922	0.3
770.28003	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37938	0.5
58.06603	0.7
63.73273	0.5
66.89643	0.5
83.35395	0.5
85.62434	0.5
137.06070	0.7
137.10593	0.6
145.82523	0.6
150.63298	0.6
154.72455	0.6
290.08078	11.1
301.50452	0.5
302.08264	2.6
304.05981	10.9
318.07681	11.5
319.08398	61.0
320.09180	4.6
321.09775	2.0
322.10703	4.1
323.11560	0.6
333.53925	0.6
334.10733	100.0
336.12329	5.2
337.13156	0.9
352.15356	1.0
770.28082	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37938	0.5
58.06603	0.7
63.73273	0.5
66.89643	0.5
83.35395	0.5
85.62434	0.5
137.06070	0.7
137.10593	0.6
145.82523	0.6
150.63298	0.6
154.72455	0.6
290.08078	11.1
301.50452	0.5
302.08264	2.6
304.05981	10.9
318.07681	11.5
319.08398	61.0
320.09180	4.6
321.09775	2.0
322.10703	4.1
323.11560	0.6
333.53925	0.6
334.10733	100.0
336.12329	5.2
337.13156	0.9
352.15356	1.0
770.28082	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.28
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38313	0.4
68.51828	0.5
89.60558	0.5
89.87068	0.5
91.05483	1.1
93.03391	3.4
93.07062	0.9
98.27695	0.5
100.85245	0.5
106.04185	4.8
110.91682	0.5
121.06487	6.8
125.05978	3.5
134.03586	0.8
137.05922	0.7
149.04872	1.0
149.05984	17.0
153.09085	3.9
166.54660	0.5
167.06932	0.7
173.26865	0.5
177.05466	7.4
181.08597	4.8
186.05576	1.2
209.08101	9.2
290.08133	6.2
302.08170	0.8
304.05954	5.3
308.09195	6.2
315.46341	0.5
318.07614	7.1
319.08395	35.9
320.09128	1.0
321.09872	0.9
322.10718	13.4
323.11578	0.8
324.12299	5.1
334.10721	100.0
336.08701	1.2
336.12204	3.5
351.11032	8.1
352.08154	2.2
352.11813	21.2
352.15234	0.8
370.09109	0.7
639.64929	0.5
770.28021	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35194	0.4
63.09053	0.4
70.13634	0.5
74.85877	0.5
81.94935	0.5
123.85978	0.5
158.81639	0.6
179.11539	0.5
181.57433	0.5
292.09650	5.4
308.12827	2.2
320.09109	16.0
321.10019	8.1
324.12320	3.9
334.10669	3.2
336.12280	100.0
354.13409	4.4
409.92566	0.6
414.93686	0.6
542.64478	0.6
554.62457	0.6
770.36310	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49317	0.8
120.63155	1.1
131.79285	1.1
143.23412	1.0
161.30299	1.0
163.88525	1.1
173.46190	1.1
190.93974	0.9
321.09720	1.4
336.12363	8.2
344.05286	51.5
345.88278	0.9
359.07611	39.7
359.69315	0.9
359.93002	1.0
374.09998	100.0
400.17902	1.1
481.82242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
57.03442	1.9
57.07075	1.2
61.02929	9.9
63.48681	0.7
65.92940	0.8
67.05505	18.5
69.03440	5.4
69.07066	10.1
71.05012	3.5
73.02926	5.7
79.05500	10.4
81.03436	3.5
81.07050	18.0
83.08638	5.8
85.02902	11.7
91.03957	6.3
91.05463	8.8
91.12170	1.0
93.07037	14.2
95.04984	1.8
95.08601	16.1
95.86530	0.8
97.02901	8.1
97.06557	1.9
97.10180	2.2
99.04482	1.4
99.08117	0.9
101.02378	1.3
105.07012	8.2
107.08587	10.1
109.06567	1.7
109.10178	9.1
111.08083	1.8
117.07033	5.9
119.08573	12.9
121.10139	8.6
123.11768	1.2
125.09686	1.1
127.03916	1.8
129.07045	4.7
131.08586	10.9
133.10123	10.1
135.08083	1.0
135.11722	4.4
137.13310	1.1
143.08553	9.7
145.10103	15.3
147.11690	8.3
149.13358	1.2
155.08600	5.0
157.10100	9.5
159.11670	10.4
161.13277	4.1
167.08527	1.5
169.10126	9.4
171.11671	10.1
173.13243	9.2
175.14854	1.4
181.10120	4.4
183.11679	11.2
185.13268	8.3
187.14845	4.8
189.29980	0.9
195.11728	5.8
197.13243	9.5
199.14917	4.7
201.16321	1.4
207.11734	1.5
209.13226	8.3
211.14790	6.9
213.16440	3.5
221.13339	3.9
223.14914	4.5
225.16534	5.4
235.14975	2.8
237.16447	5.6
239.18103	4.7
241.19557	1.0
249.16461	1.4
251.17967	1.8
253.19800	1.4
263.17902	1.2
269.22870	1.0
271.20905	1.0
295.20786	0.9
309.22174	1.1
321.22223	1.0
349.25174	1.1
465.09290	1.1
517.40460	3.8
539.37665	1.1
591.44385	6.6
609.45111	100.0
651.46307	1.3
717.47729	1.3
735.48291	3.6
753.49335	5.4
755.72479	1.1
771.33264	4.5
771.50378	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.05519	7.4
57.03186	1.0
57.03453	5.4
61.02936	9.0
67.05510	16.7
69.03447	1.6
69.07080	9.9
69.72810	0.9
73.02928	7.3
76.52258	1.1
77.49448	1.2
79.05487	11.3
81.03416	1.5
81.07062	20.2
83.04996	1.6
83.08623	4.2
85.02921	11.4
85.03349	1.4
85.06577	1.8
89.09051	1.1
91.03974	7.6
91.05477	8.3
92.88280	1.1
93.07037	15.6
93.07455	0.9
95.05034	1.4
95.08612	17.1
97.02895	8.6
97.10188	2.5
105.07033	9.2
107.08597	13.6
109.10162	9.4
111.08082	1.3
117.07064	4.5
119.08569	12.7
121.10144	9.6
123.11684	2.3
127.03904	1.1
129.07028	2.2
131.08548	9.4
133.10106	9.3
135.11714	7.1
141.07127	1.2
143.08623	5.3
145.10146	9.8
147.11780	6.7
149.13289	2.0
155.08600	4.6
157.10152	9.5
159.11673	10.1
167.08583	2.0
169.10109	9.4
171.11716	12.1
173.13318	4.5
175.14789	2.3
178.42239	1.3
183.11705	8.3
183.94798	1.4
185.13177	9.7
187.14867	2.6
189.16423	1.5
195.11842	6.8
197.13242	7.8
199.14859	6.4
207.11829	1.5
209.13303	6.0
211.14964	4.5
213.16428	2.1
221.13213	2.7
223.14848	4.1
225.16425	2.5
237.16394	4.6
239.18045	4.2
251.18091	1.4
257.19144	1.2
267.21158	1.8
325.75320	1.1
378.15384	1.4
422.78540	1.4
517.40411	1.7
591.44159	6.4
609.45123	100.0
655.86652	1.7
753.49915	4.6
771.50360	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20646	0.4
57.42097	0.4
73.32807	0.4
81.03394	0.8
87.02917	0.4
92.20919	0.5
99.04426	1.0
103.61805	0.5
107.97014	0.5
109.02830	0.7
119.04943	3.3
147.04422	3.8
149.09590	0.6
151.07515	0.5
153.21309	0.4
157.03912	0.5
166.56027	0.5
174.05521	0.6
175.03900	22.5
189.12683	1.9
207.06532	51.9
207.13834	3.6
220.98564	0.5
225.14828	2.8
290.08148	7.5
302.08121	2.3
304.06018	6.8
308.09088	0.8
312.59421	0.5
318.07574	9.5
319.08405	46.1
320.09021	1.1
321.09747	0.5
334.10748	100.0
335.10974	0.9
336.12329	0.9
351.10739	1.9
369.11871	7.0
493.58481	0.5
493.65958	0.5
512.17041	5.9
772.26044	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80542	0.6
80.64002	0.5
97.02906	0.8
108.20047	0.6
167.07141	0.7
174.05449	0.7
175.03976	0.8
234.57170	0.7
290.08069	8.6
302.08069	2.3
304.06003	6.9
304.08798	0.5
313.63828	0.7
318.07565	10.0
319.08371	52.3
320.09143	5.4
321.09741	3.0
322.10062	0.9
334.10715	100.0
336.12363	2.4
337.13022	0.7
341.84308	0.6
512.17236	4.5
772.25995	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80542	0.6
80.64002	0.5
97.02906	0.8
108.20047	0.6
167.07141	0.7
174.05449	0.7
175.03976	0.8
234.57170	0.7
290.08069	8.6
302.08069	2.3
304.06003	6.9
304.08798	0.5
313.63828	0.7
318.07565	10.0
319.08371	52.3
320.09143	5.4
321.09741	3.0
322.10062	0.9
334.10715	100.0
336.12363	2.4
337.13022	0.7
341.84308	0.6
512.17236	4.5
772.25995	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80542	0.6
80.64002	0.5
97.02906	0.8
108.20047	0.6
167.07141	0.7
174.05449	0.7
175.03976	0.8
234.57170	0.7
290.08069	8.6
302.08069	2.3
304.06003	6.9
304.08798	0.5
313.63828	0.7
318.07565	10.0
319.08371	52.3
320.09143	5.4
321.09741	3.0
322.10062	0.9
334.10715	100.0
336.12363	2.4
337.13022	0.7
341.84308	0.6
512.17236	4.5
772.25995	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62082	1.0
55.64209	0.7
55.65683	0.9
58.06596	1.4
59.04496	1.1
61.05934	0.8
68.92069	0.8
72.08156	10.4
72.91167	0.9
86.09702	16.7
100.11259	100.0
125.72414	1.0
138.61165	1.0
141.10219	5.9
155.74135	1.3
191.03683	16.5
199.18013	8.9
213.19606	40.7
213.21480	2.0
219.03151	11.3
227.17615	1.5
241.19109	17.0
261.04315	1.2
275.12943	1.2
288.05362	17.0
289.03726	12.1
295.27237	1.2
306.06485	3.9
312.16040	1.0
318.13678	13.5
320.09268	2.2
323.26526	1.1
334.10596	1.7
346.13065	8.8
368.29144	6.7
384.25601	1.1
433.16614	1.6
439.36319	5.4
459.21411	1.7
467.35904	20.5
493.33572	1.5
502.08676	1.1
532.23413	1.3
586.31470	2.0
645.32434	1.7
673.34338	2.0
754.39783	7.2
772.41815	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	18.7
71.08643	30.6
75.56445	10.6
89.06017	100.0
95.59264	11.2
124.20872	12.5
238.38446	12.2
274.90982	11.6
297.11053	15.3
409.84805	13.3
504.32571	13.4
509.07703	13.6
573.31744	13.5
772.60632	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
77.34743	1.6
82.37699	1.7
93.03665	1.9
106.43183	1.7
135.55742	1.9
218.43216	1.8
297.90704	1.8
313.11868	2.1
468.33783	2.2
619.44537	2.0
699.13617	7.5
700.15204	3.4
713.14740	7.7
714.16302	3.9
715.17126	13.3
727.13489	3.0
728.14355	7.8
729.19299	9.8
741.17957	9.5
743.16345	15.4
757.18524	12.3
773.21326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79775	1.3
57.03455	1.8
63.37328	1.3
69.03431	15.3
71.04998	1.9
73.02919	3.1
73.60794	1.5
79.05489	6.5
81.03428	28.5
83.04955	1.9
84.08170	1.4
84.26134	1.5
85.02906	21.5
91.05471	3.7
91.76629	1.3
95.04988	1.4
97.02898	10.5
99.04462	100.0
101.50969	1.3
105.07043	1.5
107.04950	16.4
109.02900	6.2
109.06538	1.9
119.04939	15.7
119.08561	1.9
121.06494	1.9
123.04459	2.3
125.05943	1.7
127.03930	6.9
131.04919	1.6
133.06523	2.0
145.06526	2.4
147.04433	17.4
161.05962	1.7
163.07520	2.2
166.06189	6.1
167.07025	34.9
175.03908	45.5
175.05310	2.7
175.07510	9.8
181.08597	21.4
182.40219	1.4
188.08272	6.2
189.09241	2.9
190.06284	2.8
191.07040	10.3
192.07738	3.3
193.08592	7.2
195.06497	2.3
195.10237	7.7
204.07802	7.0
205.08598	2.9
207.06532	52.3
211.09596	1.9
217.08536	1.6
218.09354	2.6
219.06477	2.4
219.10213	8.5
221.08061	9.3
221.11652	1.6
223.06119	1.9
223.09555	1.8
225.07559	2.2
228.07571	1.6
231.06502	2.2
231.10101	10.7
245.08096	8.0
247.09595	6.1
249.07614	1.9
249.11157	3.2
259.09692	2.7
261.07419	2.2
263.09161	2.8
275.09119	28.8
277.10806	2.1
290.09198	1.8
292.10971	3.0
293.10355	1.5
299.09244	2.3
308.10547	1.7
313.10687	2.7
314.11356	6.0
319.08450	3.1
321.11362	1.5
323.12787	2.3
329.10107	3.2
334.10678	2.5
337.10638	10.0
342.11115	2.0
344.12329	1.9
345.13272	2.0
351.12167	11.6
352.12885	18.8
357.13327	14.8
365.10162	3.3
367.11652	2.2
368.12540	2.9
379.11490	1.5
381.09473	2.6
383.15146	12.5
385.16721	2.3
398.13519	2.3
401.16040	1.6
411.14282	20.4
429.15427	65.7
495.19992	7.9
513.21234	3.5
517.63721	1.5
773.29297	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05671	1.2
66.86524	1.6
66.86877	1.2
67.05488	2.5
68.27853	1.2
69.03429	12.2
70.56714	1.6
71.05013	3.0
73.02916	1.6
75.04560	1.2
79.05483	5.8
80.86626	1.4
81.03430	22.8
83.04969	2.2
85.02910	15.1
85.06541	5.5
95.04904	1.3
97.02928	10.8
99.04455	100.0
107.04958	20.0
109.02874	6.2
109.06518	1.8
117.05506	1.5
119.04906	2.4
124.05229	1.9
127.03931	6.9
133.06415	1.4
145.06477	1.6
146.43422	1.3
147.04449	5.6
151.07634	2.0
163.07562	1.3
166.06325	1.6
167.07030	42.3
175.03911	12.3
175.07500	10.0
179.07111	1.6
181.05057	1.5
181.08611	15.9
191.07053	7.0
193.08600	2.9
195.10161	2.4
203.06908	1.4
204.07918	1.7
205.08531	2.1
207.06493	15.1
209.08138	3.4
217.08539	2.3
218.09389	2.0
219.10109	3.4
221.08099	8.3
225.07425	1.7
231.10173	1.7
233.08113	2.4
234.08948	1.8
245.08096	8.3
247.09698	6.0
249.11226	5.3
259.09711	6.3
275.09113	34.5
292.10950	9.2
293.10242	3.3
296.10437	2.6
308.10162	2.7
309.11057	2.8
311.09052	2.8
313.10498	2.9
314.11441	2.1
318.08078	2.5
319.08551	2.7
320.10291	6.3
321.07404	2.6
321.11105	3.4
323.12650	5.3
324.09787	6.4
325.10898	1.8
327.08594	5.7
329.10110	3.4
334.10770	17.3
336.09961	3.4
337.10617	11.8
342.10974	7.5
344.12497	5.8
347.09381	2.2
351.12247	25.5
352.13028	27.4
353.09949	3.4
355.11130	1.5
357.13315	34.8
359.14896	2.0
363.88806	1.5
365.10294	1.9
368.12515	2.8
369.13394	2.0
379.11588	6.0
380.12582	2.9
381.09576	3.0
383.14957	17.4
398.13663	1.8
411.14392	56.5
413.15942	9.3
429.15448	51.5
495.20230	2.7
513.21198	28.9
773.30951	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.6
55.35648	4.7
56.13337	4.7
57.03448	5.7
67.05505	49.3
69.07079	24.7
69.64970	4.4
71.64987	5.4
79.05494	40.7
80.26417	4.7
81.07062	65.9
83.08625	10.9
85.02905	8.2
87.01077	5.3
91.05463	37.1
93.07061	62.6
94.01585	5.5
95.08601	48.8
95.09108	5.3
97.02891	5.6
105.07050	39.3
107.08601	33.5
109.06514	5.3
109.10170	20.6
117.07039	13.3
119.08588	45.6
121.10149	29.6
129.07014	7.5
131.08559	31.1
133.10170	31.9
135.11685	27.7
145.10081	39.0
147.11711	36.5
149.13251	8.9
157.10143	13.5
159.11691	24.4
161.13240	13.2
171.11696	13.6
173.13261	10.7
185.13268	9.6
223.39059	6.5
259.20569	32.8
265.19290	5.8
333.24313	22.4
335.25662	35.6
336.11972	5.9
608.61438	6.9
611.46655	100.0
735.19696	6.2
755.49774	8.9
773.51636	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
55.05513	14.6
57.03444	11.3
57.07071	1.7
61.02928	6.6
67.05179	2.7
67.05508	47.9
67.97603	1.2
69.03413	3.2
69.07063	15.1
71.04997	1.7
73.02914	2.0
75.03201	1.4
79.05496	37.8
81.03382	1.8
81.07058	54.4
83.04986	1.9
83.08611	9.7
85.02911	6.5
91.03929	2.8
91.05477	31.8
93.07041	51.4
94.48987	1.4
95.04954	7.8
95.08604	47.2
97.02894	3.8
97.06539	3.8
97.10165	2.7
105.07032	32.3
107.08588	34.5
109.06495	2.3
109.10130	17.7
109.58078	1.8
111.08083	1.9
117.07000	14.7
119.08572	38.2
119.45009	1.5
119.49111	1.3
121.10134	26.9
123.08025	1.8
123.11680	2.3
129.06995	7.5
131.08557	25.0
133.10129	32.8
135.11699	18.7
141.07024	2.0
143.08546	12.4
145.10117	25.5
147.11684	25.6
149.09590	2.2
149.13246	12.3
155.08577	3.2
157.10132	13.8
159.08015	1.6
159.11656	22.1
161.13222	19.6
161.51970	1.5
163.14818	1.8
169.10115	3.6
171.11642	17.9
173.13231	13.2
175.14825	8.6
178.60718	1.5
181.10130	1.6
183.11633	3.7
185.13281	15.3
187.14848	8.4
195.11647	2.3
197.13266	6.3
199.14803	6.5
201.16348	2.6
209.13271	1.7
211.11058	1.6
211.14935	1.8
213.16379	2.4
241.19569	12.5
257.18918	3.4
259.20563	27.4
261.22202	2.5
333.24210	14.7
335.25797	36.7
337.27115	1.9
375.25339	1.9
573.94342	1.9
593.45892	10.6
611.46625	100.0
611.84589	2.0
623.45770	2.7
677.47534	2.3
689.46906	2.0
701.47003	5.8
719.48151	7.1
737.49237	6.9
755.51434	11.0
773.52130	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
57.03437	7.3
61.02933	6.6
67.05517	24.5
69.03423	4.1
69.07085	12.6
73.02910	6.3
73.07644	1.5
79.05508	22.5
81.03441	2.3
81.07070	30.7
83.08616	7.6
83.85849	1.7
85.02909	8.1
90.65280	1.5
91.03939	3.1
91.05473	15.9
92.21521	3.4
93.07040	32.7
95.04967	2.5
95.08623	26.9
97.02899	7.0
97.06545	2.7
97.10200	1.7
105.07049	15.2
107.08603	19.0
109.10170	14.4
111.61919	1.5
117.07076	5.6
119.08593	23.0
121.10139	13.5
127.03914	2.9
128.06227	2.2
129.07004	2.9
131.08556	16.0
133.10138	19.7
135.11676	10.2
143.06837	1.6
143.08540	12.2
145.10178	14.3
147.11716	15.6
149.13274	2.8
155.08582	2.5
157.10123	10.1
159.11674	11.5
161.13261	10.2
163.14772	2.2
167.08562	2.2
169.10179	2.8
171.11658	9.2
173.13290	6.3
175.14824	3.9
181.10190	2.7
183.11656	3.9
185.13269	6.7
187.14839	3.8
195.11775	2.5
197.13274	6.8
199.14905	2.5
201.16411	2.0
211.14790	2.7
213.16327	3.2
227.17938	2.6
241.19490	2.8
259.20630	10.5
301.21408	2.0
333.24197	6.9
335.25790	10.2
593.45465	4.0
611.46722	100.0
719.48108	2.2
755.50500	6.9
773.52124	41.5
775.91705	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.3
57.03435	2.0
57.07067	1.4
61.02932	11.9
67.05515	17.8
69.03423	5.3
69.07072	8.4
71.08614	1.4
73.02914	2.9
75.01253	1.1
79.05488	11.9
81.03429	2.5
81.07059	21.6
83.08622	6.9
85.02913	10.2
91.03947	8.1
91.05480	11.0
91.66669	1.4
93.07043	14.4
95.08613	19.3
97.02919	9.7
97.10199	4.6
99.06332	1.2
105.07043	12.2
107.08602	9.7
109.10172	11.1
117.06997	5.6
119.08576	13.9
121.10142	9.6
123.11718	2.1
125.09615	1.6
129.06984	2.9
131.08575	11.4
133.10150	8.5
135.11685	4.8
141.07010	1.8
143.08578	9.2
145.10117	12.7
147.11703	7.0
151.03940	1.3
155.08591	2.3
157.10136	8.4
159.11676	12.6
161.13254	3.1
167.08484	1.6
169.10089	6.3
171.11665	11.6
173.13240	6.7
181.10136	2.5
183.11726	7.4
185.13289	7.3
187.14793	2.9
189.08958	1.3
195.11732	3.1
197.13264	7.2
199.14819	7.1
201.16476	1.6
209.13451	1.5
211.14851	2.8
213.16403	5.6
215.17932	4.8
223.14859	2.6
225.12640	1.5
225.16414	2.5
227.17888	1.4
229.19524	1.6
239.17937	1.8
241.19420	2.0
255.20981	1.4
267.21271	1.7
593.45557	7.8
604.59900	1.4
609.44995	1.7
611.46716	100.0
719.48389	1.6
737.49426	2.1
755.50482	2.7
773.51996	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.2
57.03431	2.2
61.02929	8.7
66.84593	1.3
67.05524	16.1
67.70786	1.5
69.03431	3.1
69.07076	12.3
73.02925	3.8
76.84026	1.6
79.05508	9.3
81.03440	2.3
81.07069	20.9
83.08624	7.3
85.02901	7.5
91.03960	6.3
91.05472	8.2
93.07041	19.4
95.08630	19.1
97.02892	8.4
97.10185	2.2
100.59753	2.1
105.07035	9.7
107.08604	10.8
108.31357	1.8
109.10184	6.6
117.07037	6.9
117.63328	2.1
119.08565	14.7
121.10152	7.8
129.07011	4.1
131.08597	10.2
133.10126	10.2
135.11684	3.0
143.08557	8.9
145.10138	12.4
147.11757	4.2
149.13275	2.6
155.08580	3.1
157.10129	8.0
159.11697	12.3
160.44592	1.7
161.13309	2.5
167.08542	2.3
169.10162	7.5
171.11697	8.3
173.13312	9.4
183.11691	6.2
185.13322	7.5
187.14868	2.5
189.12895	1.9
197.13322	3.3
199.14882	4.0
203.17874	2.3
211.14842	3.5
213.16240	1.9
215.18021	2.6
221.13310	2.7
227.17862	2.0
281.22650	2.3
326.98218	2.0
327.87030	2.2
342.43884	1.7
395.33423	1.9
496.84680	1.9
519.41388	2.4
593.45209	3.8
611.46686	100.0
643.39880	1.9
653.01776	2.1
696.07678	1.8
755.50671	4.1
773.31464	2.5
773.37109	2.2
773.51886	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.3
57.03454	8.3
65.10686	4.3
67.05515	59.9
69.03429	5.7
69.07069	18.5
73.02926	5.9
78.15913	4.2
79.05513	41.9
81.07071	60.9
91.05470	35.2
93.07045	44.7
95.08615	51.2
105.07048	38.9
107.08592	34.2
109.10158	18.0
117.07017	11.1
119.08605	40.7
119.09344	4.5
121.10167	26.5
123.11693	4.9
124.89349	5.7
129.07018	5.0
131.08574	24.2
133.10143	36.5
135.11702	11.0
143.08545	10.3
145.10127	28.6
147.11703	38.5
149.13208	6.7
157.10086	8.5
159.11696	21.4
161.13290	10.0
171.11737	7.7
173.13217	8.3
175.14766	6.7
183.11624	9.7
185.13231	6.2
241.19412	8.7
259.20596	29.1
273.38470	4.8
282.05618	5.9
333.24219	11.1
335.25775	37.1
472.54941	4.9
611.46741	100.0
719.48022	5.1
754.84918	5.1
773.51154	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.6
62.06088	11.0
63.25871	1.7
64.70414	1.8
67.05495	11.4
69.07062	3.9
76.05020	1.6
77.70507	1.8
79.05492	3.0
79.23498	1.8
81.07063	14.4
83.08625	1.9
91.57175	1.9
93.07019	4.1
95.08604	14.5
105.07037	2.2
107.08701	2.1
109.10174	4.8
121.10152	2.8
138.60757	2.0
155.01045	3.2
306.27832	4.1
320.09119	3.9
337.27417	40.0
418.94492	2.1
460.28305	18.1
478.29309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34439	0.2
70.86025	0.2
77.03630	0.3
104.11639	0.3
149.68018	0.3
191.71588	0.3
209.89735	0.3
281.08426	0.3
290.08090	1.2
292.09637	2.6
302.08234	0.3
304.06012	1.1
318.07571	1.8
319.08353	6.5
320.09164	100.0
334.10706	11.0
335.11191	0.5
336.11920	0.6
349.12219	0.3
380.84354	0.3
646.20544	0.3
774.23883	11.6
800.82849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
121.72699	0.1
142.39894	0.1
143.26163	0.1
186.96533	0.1
277.07367	0.2
290.08099	1.1
292.09659	3.0
302.08209	0.2
304.05939	0.6
318.07587	1.3
319.04700	0.1
319.08389	3.7
320.09171	100.0
334.10733	7.6
335.11200	0.1
429.10645	0.1
774.23865	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34439	0.2
70.86025	0.2
77.03630	0.3
104.11639	0.3
149.68018	0.3
191.71588	0.3
209.89735	0.3
281.08426	0.3
290.08090	1.2
292.09637	2.6
302.08234	0.3
304.06012	1.1
318.07571	1.8
319.08353	6.5
320.09164	100.0
334.10706	11.0
335.11191	0.5
336.11920	0.6
349.12219	0.3
380.84354	0.3
646.20544	0.3
774.23883	11.6
800.82849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58859	0.2
63.61287	0.3
73.88542	0.2
76.75958	0.3
84.94823	0.2
99.04397	0.4
175.03877	0.3
207.06447	0.3
273.07574	0.3
290.08090	7.2
300.20181	0.3
302.08032	2.1
304.06042	7.3
308.11078	0.3
315.11713	1.0
315.61923	0.5
318.07593	11.6
319.08374	53.6
320.09149	11.3
321.09460	0.5
322.10776	1.3
322.60904	0.3
323.11392	0.4
329.11542	0.9
329.61789	2.0
330.11996	0.6
334.10712	100.0
335.11014	1.0
336.12076	1.5
337.13046	1.6
337.63153	1.3
338.13422	0.3
413.76434	0.3
452.14709	0.4
774.27563	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48000	0.3
80.60146	0.3
141.99420	0.3
175.03847	0.5
203.26660	0.3
206.84804	0.3
207.06511	0.7
276.06580	0.4
285.18771	0.3
290.08087	8.7
302.07993	2.3
304.06042	6.8
308.09106	2.5
318.07568	9.5
319.08374	55.6
320.09152	29.4
334.10718	100.0
336.12198	0.4
369.82516	0.3
496.17215	0.4
514.18854	1.7
646.84302	0.3
730.58386	0.4
774.27454	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58859	0.2
63.61287	0.3
73.88542	0.2
76.75958	0.3
84.94823	0.2
99.04397	0.4
175.03877	0.3
207.06447	0.3
273.07574	0.3
290.08090	7.2
300.20181	0.3
302.08032	2.1
304.06042	7.3
308.11078	0.3
315.11713	1.0
315.61923	0.5
318.07593	11.6
319.08374	53.6
320.09149	11.3
321.09460	0.5
322.10776	1.3
322.60904	0.3
323.11392	0.4
329.11542	0.9
329.61789	2.0
330.11996	0.6
334.10712	100.0
335.11014	1.0
336.12076	1.5
337.13046	1.6
337.63153	1.3
338.13422	0.3
413.76434	0.3
452.14709	0.4
774.27563	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43593	0.3
63.18779	0.3
69.03432	100.0
86.06061	3.4
87.04458	0.5
87.08803	0.4
98.63354	0.3
101.75387	0.3
104.07095	0.8
155.05803	0.6
155.07016	17.6
155.08241	0.6
158.64868	0.3
172.09766	0.6
235.16133	0.3
241.10718	6.0
251.23946	0.3
258.13367	0.6
290.04407	0.4
312.91119	0.4
327.14334	3.5
336.12473	1.8
344.17029	0.5
345.15631	0.7
411.75116	0.3
413.17862	0.5
430.20746	1.9
431.18985	0.4
521.03876	0.4
534.25751	0.5
554.42340	0.3
585.25452	0.5
688.31293	0.8
774.35529	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48880	0.4
62.95201	0.4
78.15212	0.6
99.46078	0.5
116.23560	0.4
153.23076	0.5
290.08066	7.0
294.11176	13.2
294.14203	0.8
302.08173	1.3
304.06104	5.5
306.07773	0.6
318.07602	10.4
319.08377	46.8
320.09149	4.6
321.09756	0.6
322.10715	16.2
322.14133	0.9
334.10712	100.0
335.07950	1.0
336.11868	1.0
350.10272	5.1
372.12198	2.0
518.19421	0.6
712.16498	0.6
776.25403	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48880	0.4
62.95201	0.4
78.15212	0.6
99.46078	0.5
116.23560	0.4
153.23076	0.5
290.08066	7.0
294.11176	13.2
294.14203	0.8
302.08173	1.3
304.06104	5.5
306.07773	0.6
318.07602	10.4
319.08377	46.8
320.09149	4.6
321.09756	0.6
322.10715	16.2
322.14133	0.9
334.10712	100.0
335.07950	1.0
336.11868	1.0
350.10272	5.1
372.12198	2.0
518.19421	0.6
712.16498	0.6
776.25403	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61015	0.3
92.21539	0.5
135.88388	0.3
177.75047	0.3
294.07562	0.6
319.08484	0.5
320.09204	4.5
321.09488	2.5
322.09830	1.7
332.09207	1.9
334.10907	0.7
336.12408	1.3
391.13959	0.3
422.10138	0.7
423.11078	1.9
424.11877	1.9
425.13498	0.3
440.11246	3.1
441.12173	0.6
451.10992	0.4
452.11444	2.2
453.12332	1.6
455.10129	0.4
456.10703	0.8
461.08972	0.4
467.13571	0.5
468.10629	7.0
469.11459	5.5
470.12256	4.6
471.13055	5.0
484.13925	37.8
485.14960	1.3
496.10767	1.3
497.11102	3.1
498.11972	1.3
500.09882	0.6
514.11475	3.2
515.12134	9.6
516.12836	8.7
516.20471	0.5
528.12720	0.7
529.13922	2.4
530.14459	60.9
558.13660	0.6
572.15314	2.5
602.16302	4.3
614.16412	0.5
628.18304	1.4
632.17279	0.5
642.16046	2.5
660.17517	2.2
674.18536	5.4
676.17120	1.2
776.25439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	0.3
70.06572	0.5
87.81292	0.2
95.24624	0.2
99.04436	0.3
101.44969	0.2
121.06451	0.3
133.61514	0.3
147.04361	0.3
148.07318	0.3
155.49248	0.3
176.07021	0.4
269.08099	0.3
278.08069	0.4
291.09161	0.3
292.09634	7.2
304.09656	1.2
306.07620	1.9
311.08621	0.8
320.09128	6.9
321.09946	26.6
334.10843	0.4
334.25229	0.3
336.12289	100.0
338.14090	0.4
356.14810	0.3
388.17545	0.5
513.65186	0.3
558.79761	0.3
586.78772	0.4
776.27454	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	0.3
70.06572	0.5
87.81292	0.2
95.24624	0.2
99.04436	0.3
101.44969	0.2
121.06451	0.3
133.61514	0.3
147.04361	0.3
148.07318	0.3
155.49248	0.3
176.07021	0.4
269.08099	0.3
278.08069	0.4
291.09161	0.3
292.09634	7.2
304.09656	1.2
306.07620	1.9
311.08621	0.8
320.09128	6.9
321.09946	26.6
334.10843	0.4
334.25229	0.3
336.12289	100.0
338.14090	0.4
356.14810	0.3
388.17545	0.5
513.65186	0.3
558.79761	0.3
586.78772	0.4
776.27454	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09509	0.2
74.22767	0.2
119.40679	0.2
183.38385	0.3
276.06415	0.5
290.08096	7.0
291.08463	0.4
292.09595	0.5
302.07913	2.1
304.06021	5.7
304.09152	0.3
305.06232	0.4
306.07346	0.3
310.82663	0.2
318.07611	8.8
319.08383	43.7
320.08975	8.3
321.09351	3.1
322.10538	0.3
334.10727	100.0
335.11041	7.7
336.12018	9.3
359.98123	0.3
416.42786	0.2
484.14221	0.4
516.12744	0.3
530.14819	0.4
563.76373	0.2
776.28644	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
82.92927	1.5
133.06473	3.2
161.05977	8.8
166.06258	8.0
175.07603	2.8
176.57155	1.5
181.08594	55.3
190.06258	20.0
191.07072	1.8
193.08839	1.5
199.07521	25.4
205.08583	43.9
269.33109	1.6
276.11600	1.7
289.08591	2.9
293.11484	2.0
303.10297	1.7
304.10846	10.7
305.11688	18.4
307.13260	2.8
319.08578	3.3
320.09290	11.7
321.11255	30.5
323.11905	2.3
334.10699	16.0
335.12613	9.5
336.13544	63.0
337.10730	2.7
339.15689	2.4
342.80234	1.6
367.15411	100.0
427.17551	23.9
723.03809	2.0
776.26428	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07290	0.9
55.64642	1.0
57.03421	1.3
66.99881	1.0
69.03402	1.3
78.21864	1.0
81.03435	7.6
85.02888	5.2
95.08616	1.2
97.02879	6.4
99.04460	100.0
105.07006	1.4
106.18814	1.2
107.08579	1.6
109.10159	1.8
114.32993	1.2
117.05482	7.2
123.11697	1.2
127.03937	2.4
127.48457	1.1
145.04924	4.1
147.11670	2.6
159.11638	1.4
173.46910	1.1
193.12225	1.8
255.20999	5.6
261.09692	12.1
269.19031	1.0
280.66959	1.1
290.08267	1.8
301.21564	8.0
304.06058	1.6
318.07590	1.7
319.08371	13.5
320.08942	9.1
321.09610	2.2
334.10706	27.7
335.10959	13.8
336.11899	7.0
337.23767	2.1
338.13611	2.7
387.12503	1.6
423.14899	14.6
751.16736	1.3
776.27203	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
65.52451	0.3
67.05539	0.4
69.03420	0.6
72.90086	0.3
74.65748	0.4
83.04985	16.7
85.02905	0.8
91.51752	0.4
111.04443	19.0
111.05211	0.8
113.08657	0.4
129.05470	2.0
132.52966	0.4
132.79933	0.4
153.01956	0.4
153.05461	4.4
171.06551	3.6
231.08655	5.8
270.05215	2.0
273.62463	0.5
285.07562	100.0
336.12540	2.9
427.78693	0.5
546.71930	0.5
548.13916	5.3
576.26996	0.4
640.15289	0.6
778.21667	6.9
778.34412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20670	0.2
59.63457	0.2
62.03519	0.3
63.35575	0.3
76.54456	0.3
82.92403	0.2
92.16673	0.3
119.04893	1.8
137.05916	1.4
145.02838	0.3
147.04417	2.0
167.07039	2.7
175.03899	6.1
177.05412	1.9
188.67801	0.3
207.06523	11.4
219.09914	0.4
270.50574	0.3
290.08109	8.7
302.08163	3.3
304.06073	8.7
318.07617	13.2
319.08395	52.6
320.09064	1.5
321.09885	0.4
334.10736	100.0
336.12149	1.1
357.17068	0.3
369.11896	1.6
375.18024	1.4
519.36200	0.4
694.16614	0.3
778.23474	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
74.53642	0.6
85.24088	0.6
93.75265	0.7
96.51021	0.6
177.05508	0.7
177.09348	0.7
181.94293	0.6
183.24619	0.6
185.24876	0.6
199.42642	0.7
290.08109	9.7
302.08167	1.4
304.06125	9.6
318.07571	12.1
319.08359	51.7
334.10693	100.0
335.11526	0.7
778.23267	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00192	0.2
59.61226	0.2
68.55654	0.3
68.95040	0.3
137.76396	0.4
154.72630	0.3
191.41766	0.4
193.68459	0.3
198.63437	0.3
227.90820	0.3
276.06464	0.5
290.08115	8.4
302.08105	3.2
304.06018	8.1
304.09161	0.5
318.07587	12.9
318.11105	0.6
319.08392	54.8
320.08972	1.6
328.56973	0.3
334.10739	100.0
334.65646	0.3
335.11124	0.4
336.11743	0.7
377.07263	0.4
449.53067	0.3
659.21893	0.4
778.23242	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48583	0.2
60.45041	0.2
62.27524	0.3
66.74549	0.2
74.66064	0.2
114.62556	0.2
140.12442	0.3
143.23425	0.2
193.92172	0.3
224.02313	0.3
266.89224	0.3
278.08176	1.1
279.08813	0.5
290.07996	0.4
294.07620	0.5
304.06180	0.3
306.07584	11.0
318.07584	2.4
319.08521	2.6
320.05560	4.8
320.08951	0.7
323.11340	0.3
334.07101	5.4
334.10770	4.2
335.07861	35.3
336.12381	1.6
350.10229	100.0
372.12344	0.5
516.19562	0.3
624.17346	2.7
713.26178	0.3
755.79218	0.4
778.23352	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
74.53642	0.6
85.24088	0.6
93.75265	0.7
96.51021	0.6
177.05508	0.7
177.09348	0.7
181.94293	0.6
183.24619	0.6
185.24876	0.6
199.42642	0.7
290.08109	9.7
302.08167	1.4
304.06125	9.6
318.07571	12.1
319.08359	51.7
334.10693	100.0
335.11526	0.7
778.23267	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91538	0.3
56.76084	0.3
82.55722	0.3
99.04465	0.6
109.06197	0.4
163.66673	0.4
164.15117	0.4
207.06615	0.5
226.38181	0.4
255.35136	0.4
290.08124	8.8
291.08481	0.6
294.11292	0.5
302.08167	2.7
304.06049	8.1
308.18637	0.4
318.07590	10.7
319.08386	52.4
320.09155	4.6
321.09363	1.7
322.10764	2.7
323.11066	0.4
334.10724	100.0
335.11096	3.4
336.11804	3.2
337.12637	0.5
493.11032	0.4
665.52570	0.4
778.23206	32.5
802.24896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11767	0.6
55.26415	0.6
61.02912	0.7
69.03436	1.0
85.02904	4.8
97.02885	2.0
107.04955	52.1
109.50640	0.9
121.06518	1.5
123.04417	9.0
127.03931	1.7
130.82635	0.7
131.87801	0.9
137.05983	1.0
143.04948	1.8
145.06480	7.3
149.05957	1.4
155.76062	0.8
160.84831	1.0
161.05960	23.5
164.07068	4.0
237.09116	1.9
255.10156	74.1
272.12784	38.8
338.18634	1.0
434.18094	100.0
641.86237	1.0
644.83594	0.9
667.23920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36917	5.2
57.07093	6.1
58.06609	6.0
69.07061	15.2
73.02889	9.0
86.09705	8.3
89.06041	28.3
115.31689	6.7
158.48445	6.3
184.07382	30.5
192.48026	6.8
212.74713	6.6
235.11726	6.9
352.08109	35.0
760.34760	10.3
765.63062	8.0
778.35736	100.0
778.51300	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	4.6
57.07074	18.2
58.04543	3.0
69.99518	3.5
71.08637	6.8
81.07082	6.8
83.08607	4.5
85.10188	14.7
89.06046	3.7
95.08607	4.6
95.15063	4.1
107.92804	3.4
109.10155	4.0
112.85662	3.6
122.06041	43.5
127.55654	4.1
140.07074	24.7
150.78242	3.5
152.07025	4.3
167.10635	3.6
170.08075	5.3
188.09225	22.5
220.03781	6.6
234.81963	3.9
276.06305	4.0
313.27368	100.0
313.30768	7.5
334.10562	5.1
336.12289	15.7
399.59579	3.8
407.72015	4.8
514.29089	13.6
532.30444	74.6
562.30951	8.4
580.32269	4.6
636.25824	5.2
755.65283	4.1
760.38477	8.2
778.39520	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19298	2.7
61.94011	2.8
75.21449	3.2
97.03780	3.2
104.05319	3.3
106.49953	3.3
113.27811	3.1
118.03441	3.2
148.05200	5.9
166.06239	5.5
181.08582	100.0
190.06288	4.3
205.08566	3.8
319.08594	3.9
320.08981	4.7
334.10754	5.4
557.18024	27.9
617.20422	35.9
689.21741	16.0
719.22778	16.4
779.24677	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
90.98614	0.2
92.20988	0.3
137.06004	0.5
164.90152	0.2
167.07031	17.7
175.03877	1.0
176.04280	0.3
181.08516	0.8
193.08719	0.7
194.50938	0.2
207.06538	1.1
208.07002	0.4
211.09676	1.8
233.36606	0.3
238.03946	0.2
286.96619	0.2
290.08099	0.4
291.08377	0.4
292.09650	8.0
304.06293	0.4
304.09653	1.4
306.07556	2.0
318.07654	0.8
319.08307	2.7
320.09079	13.1
321.09927	26.1
334.10715	4.7
335.11044	4.6
336.12277	100.0
361.16635	0.8
375.17255	0.3
417.18494	0.3
522.78925	0.2
780.24365	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79873	0.5
65.83356	0.5
66.15472	0.5
76.04650	0.5
78.59525	0.6
80.92361	0.5
92.78017	0.6
100.27189	0.5
106.82841	0.6
154.69513	0.6
176.08299	0.8
191.07109	0.9
192.07880	0.5
206.09390	2.3
264.39215	0.6
290.08008	5.5
302.08014	1.0
304.06073	4.9
308.09061	0.6
318.07639	6.0
319.08386	33.8
320.09079	10.9
321.09576	2.3
322.10510	0.9
334.10727	100.0
335.10999	4.8
336.12265	7.9
338.13803	0.7
387.62097	0.6
434.42007	0.6
657.82562	0.6
780.32831	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81241	0.4
82.86715	0.5
92.21309	1.8
95.93197	0.4
96.15544	0.4
199.91246	0.4
203.75658	0.4
207.10126	0.6
220.05014	0.4
290.08109	6.3
302.08136	2.0
304.06046	4.8
304.09290	0.6
318.07559	6.8
319.08398	37.9
320.09048	3.7
321.09637	0.6
329.11331	0.6
334.10745	100.0
336.12195	0.6
482.15378	0.5
780.32648	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
76.27146	0.3
90.36456	0.4
137.05905	0.3
143.40259	0.3
176.20743	0.3
233.32317	0.3
250.01134	0.3
253.43092	0.4
290.08109	5.7
302.08087	1.6
304.06107	4.4
314.02386	0.4
318.07565	7.0
319.08401	38.3
320.09058	2.3
321.09647	0.4
322.10678	0.4
334.10739	100.0
335.11331	0.8
336.12250	2.0
495.64297	0.4
780.32404	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28144	0.3
67.38422	0.3
68.92996	0.2
98.08386	0.3
137.06021	0.3
206.09340	0.4
207.10072	0.5
223.05998	0.3
224.45341	0.3
290.08093	5.3
302.08127	1.3
304.05969	5.3
318.07617	6.8
319.08386	38.8
320.09055	1.7
334.10733	100.0
335.11072	0.5
336.12204	1.4
345.09677	0.4
360.12180	0.4
780.32330	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81241	0.4
82.86715	0.5
92.21309	1.8
95.93197	0.4
96.15544	0.4
199.91246	0.4
203.75658	0.4
207.10126	0.6
220.05014	0.4
290.08109	6.3
302.08136	2.0
304.06046	4.8
304.09290	0.6
318.07559	6.8
319.08398	37.9
320.09048	3.7
321.09637	0.6
329.11331	0.6
334.10745	100.0
336.12195	0.6
482.15378	0.5
780.32648	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79873	0.5
65.83356	0.5
66.15472	0.5
76.04650	0.5
78.59525	0.6
80.92361	0.5
92.78017	0.6
100.27189	0.5
106.82841	0.6
154.69513	0.6
176.08299	0.8
191.07109	0.9
192.07880	0.5
206.09390	2.3
264.39215	0.6
290.08008	5.5
302.08014	1.0
304.06073	4.9
308.09061	0.6
318.07639	6.0
319.08386	33.8
320.09079	10.9
321.09576	2.3
322.10510	0.9
334.10727	100.0
335.10999	4.8
336.12265	7.9
338.13803	0.7
387.62097	0.6
434.42007	0.6
657.82562	0.6
780.32831	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.8
57.03441	6.6
63.87735	3.0
67.05508	57.4
69.07062	18.3
72.27859	2.9
79.05497	64.1
81.07067	49.3
83.08604	6.2
91.05482	40.5
93.07048	78.3
95.08596	43.7
103.82749	3.5
105.07039	42.5
107.08603	31.3
109.10146	20.5
115.64591	3.4
117.07034	8.6
119.08575	49.6
121.10125	37.1
123.11639	3.8
129.05524	5.0
129.06999	8.3
131.08585	30.3
133.10127	49.6
135.11696	22.0
143.08560	14.5
145.10135	40.4
147.11664	32.9
159.11691	19.9
161.13235	19.0
171.11627	14.1
173.13216	13.3
183.11766	3.7
183.31982	4.1
185.13324	5.5
186.02977	3.9
189.51801	4.2
213.16299	5.0
215.17950	4.7
259.20599	26.7
307.22672	7.7
333.24280	8.7
350.11124	3.9
583.43628	100.0
751.43347	4.5
778.66541	4.0
778.79407	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.7
57.03460	9.2
58.24343	7.6
63.08399	7.7
67.05510	57.6
69.07078	14.6
79.05492	50.1
81.07068	49.4
91.05469	49.5
93.07050	46.7
95.08600	50.8
101.64072	8.7
105.07040	73.2
107.08574	38.0
109.10134	18.4
115.83999	8.9
117.07018	13.6
119.08565	46.8
121.10156	42.9
124.11530	10.6
131.08542	14.0
133.10144	57.9
135.11708	20.8
143.08572	12.4
145.10130	34.5
147.11690	36.0
157.10120	13.3
159.11693	11.4
171.11688	22.0
187.14874	11.6
213.16400	44.3
231.17477	55.0
262.60327	9.4
272.91312	11.0
283.23654	11.0
300.36526	9.5
305.20770	11.3
333.65506	9.2
335.25906	15.3
358.53445	10.9
518.77643	10.9
583.43506	100.0
586.27356	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49236	0.2
59.76411	0.2
63.88924	0.2
69.03436	7.4
71.01351	0.3
71.05003	1.5
79.71725	0.2
83.04991	2.0
85.02899	1.7
97.55652	0.2
111.04460	2.4
127.80053	0.2
129.05504	2.5
167.44484	0.2
189.07568	1.1
199.95247	0.2
220.34361	0.2
270.05173	1.5
285.07571	100.0
300.62329	0.2
320.08908	0.3
447.12897	0.4
593.18719	7.4
781.25494	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91198	1.3
61.42759	1.5
73.02924	1.5
89.06006	1.7
99.03607	1.4
111.43293	1.4
118.99449	1.7
121.06527	2.4
160.97037	1.7
184.04619	2.5
197.14670	1.9
256.81836	1.8
267.16968	1.9
278.08075	42.7
278.10919	2.8
290.13745	3.7
306.07574	77.5
308.09158	100.0
322.10516	2.0
324.12497	3.0
386.19852	2.3
396.24762	2.0
456.27316	9.0
474.28543	16.9
492.31421	1.8
781.36432	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90453	0.6
65.03045	0.6
65.35700	0.6
69.00922	0.7
70.24900	0.6
122.11499	0.7
156.20850	0.7
165.83105	0.7
171.15085	0.6
175.04871	0.7
246.07652	0.7
278.08105	38.1
289.13095	2.8
290.13828	8.4
290.26990	4.0
302.13934	3.6
304.15140	0.9
306.07590	70.7
307.08380	1.6
308.09149	100.0
327.67834	0.7
344.66141	0.8
357.72086	0.7
410.26944	0.9
428.27975	2.4
456.27350	10.7
474.28491	15.7
577.10950	0.7
698.76666	0.9
781.36810	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.2
60.02869	0.1
70.06556	0.1
119.63863	0.2
127.13852	0.2
173.49390	0.2
250.20660	0.2
261.85968	0.2
290.08035	1.1
292.09552	2.3
302.07993	0.2
304.06027	1.1
305.06384	0.2
318.07660	1.5
319.08353	4.2
320.09134	100.0
334.10693	9.4
335.10938	0.7
336.12103	0.4
575.20953	0.2
638.25336	0.2
782.35071	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	33.1
68.33981	2.0
85.02936	2.6
95.08608	3.0
97.02872	2.8
99.04453	17.5
105.07014	2.2
109.02839	3.0
119.08625	3.5
137.06049	2.6
172.69316	2.8
175.14850	4.1
211.05608	2.2
217.08632	3.1
259.07385	3.3
265.08292	2.2
279.22751	2.7
284.50778	2.5
291.10214	13.0
292.09882	4.1
308.10486	10.4
309.11261	3.0
320.09109	9.5
321.09930	18.0
322.10901	2.4
323.12808	58.8
334.10495	16.6
335.12637	4.6
336.12299	73.7
337.12790	12.0
338.13443	2.6
352.15353	9.4
429.30399	2.4
489.25888	3.5
491.34369	2.8
723.31769	2.6
738.37451	3.6
782.37927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	7.6
60.37821	6.9
65.89124	6.1
67.05519	7.7
69.03426	6.4
69.07076	33.2
71.90713	6.5
73.83869	8.1
78.29821	6.5
81.07031	73.4
85.02911	8.5
95.08581	17.6
98.06306	7.1
103.14054	7.3
106.12700	8.1
117.62060	7.2
120.45762	7.8
123.11698	14.4
137.13297	32.6
149.05952	10.9
161.06035	18.5
163.03912	12.3
175.07567	16.0
177.05470	38.5
179.19124	8.6
189.05424	12.9
189.09056	61.3
201.05313	14.8
203.06982	11.9
203.10605	9.9
215.07016	12.1
215.10709	32.2
217.08665	18.1
229.08609	11.1
231.10083	9.5
233.08134	10.5
235.09604	49.1
243.10202	34.4
261.11337	10.6
271.16879	48.7
275.12747	10.3
299.16324	33.4
317.17371	49.4
319.08420	34.9
320.09186	28.7
334.10724	100.0
336.11914	8.5
364.08051	17.1
395.29337	13.0
508.17984	9.3
580.20068	8.5
782.38068	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	25.4
67.05499	3.0
69.07066	7.6
81.07051	19.4
85.02880	5.8
85.60021	3.1
90.92445	2.8
93.07023	3.7
94.26621	3.1
95.08620	4.6
109.10138	4.0
112.13100	3.1
121.10112	4.0
137.13280	4.2
149.05997	3.9
175.07552	3.5
177.05467	4.5
181.08626	15.4
182.88455	3.0
197.67816	3.3
200.29323	2.9
201.09212	5.4
203.10693	18.5
205.12149	5.5
215.07097	4.6
215.10689	43.8
217.12242	21.1
227.10715	4.1
229.08488	3.3
229.12239	6.3
231.10117	33.5
233.11658	29.9
241.12239	6.5
243.10112	44.3
245.11705	4.1
249.11177	14.1
259.16910	17.0
261.11176	29.1
271.13638	3.5
271.16861	24.0
283.16937	15.2
287.16324	24.7
299.16354	20.0
305.17474	4.3
308.09195	4.2
311.16455	7.3
315.15707	5.1
317.17465	100.0
319.08417	7.4
320.09091	24.2
327.12268	5.3
329.17371	5.2
334.10687	18.0
336.12277	72.8
339.23343	4.7
385.23727	33.0
413.26050	3.2
782.31915	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16135	0.3
86.09714	0.5
108.11969	0.4
117.42131	0.3
118.36926	0.4
136.78128	0.4
162.00523	0.4
184.07420	0.6
279.52197	0.4
292.06027	8.1
307.04568	0.5
320.05502	9.8
320.08951	0.7
321.06311	20.4
321.74341	0.5
336.08652	100.0
352.71677	0.4
432.45322	0.4
502.46817	0.5
574.69989	0.4
583.16425	0.4
721.20850	0.6
783.21301	1.5
783.43213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90391	0.4
59.70372	0.5
69.74400	0.5
69.81329	0.5
72.61705	0.5
81.03378	0.5
82.72352	0.5
93.30520	0.4
96.56194	0.6
99.04420	0.7
104.71186	0.4
146.88905	0.5
152.28757	0.5
160.22365	0.5
163.11452	0.5
178.44728	0.5
207.06496	0.6
290.08154	9.3
291.08401	0.7
302.08038	3.2
304.06030	9.9
308.09116	3.8
313.81253	0.5
318.07602	13.9
319.08389	54.8
320.09067	14.1
321.09436	2.5
322.10437	2.7
323.11282	0.9
334.10730	100.0
335.11111	6.8
336.12259	21.4
337.12589	2.2
338.13715	4.2
784.25128	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66365	0.3
57.29280	0.2
74.48470	0.3
85.66307	0.3
91.40204	0.3
104.06607	0.4
122.33195	0.3
124.83450	0.3
134.55716	0.3
162.52185	0.3
230.50150	0.3
231.36304	0.3
276.06522	0.6
290.08090	12.1
290.34406	0.3
302.08066	4.1
304.06000	12.8
318.07596	17.3
319.08386	63.2
320.09207	0.7
334.10718	100.0
335.10944	0.4
336.11945	0.4
338.13852	0.3
396.38654	0.3
407.49417	0.3
410.75644	0.4
587.45667	0.4
780.02460	0.3
784.25891	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18945	0.3
67.47965	0.3
90.41910	0.3
114.68752	0.3
144.21912	0.4
164.28491	0.4
290.08090	13.6
302.08151	4.4
304.06039	13.0
318.07581	16.2
319.08389	61.6
320.08899	1.5
322.10864	0.6
334.10727	100.0
335.11069	0.8
336.11929	2.3
456.86758	0.4
604.40375	0.5
672.60168	0.5
784.26062	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19085	0.3
67.72044	0.4
69.20329	0.4
73.97658	0.4
115.83633	0.4
120.26250	0.4
122.33572	0.4
124.09185	0.5
124.17571	0.4
130.63040	0.4
131.78497	0.4
153.74646	0.5
175.43253	0.5
220.56860	0.5
290.08099	11.1
302.08014	3.4
304.06018	12.6
318.03891	0.8
318.07584	19.5
319.08374	67.9
320.09036	3.0
321.09460	0.8
322.10840	0.9
334.10718	100.0
335.11047	3.1
336.12033	5.2
338.13687	2.0
471.03381	0.5
737.98999	0.5
784.26056	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66365	0.3
57.29280	0.2
74.48470	0.3
85.66307	0.3
91.40204	0.3
104.06607	0.4
122.33195	0.3
124.83450	0.3
134.55716	0.3
162.52185	0.3
230.50150	0.3
231.36304	0.3
276.06522	0.6
290.08090	12.1
290.34406	0.3
302.08066	4.1
304.06000	12.8
318.07596	17.3
319.08386	63.2
320.09207	0.7
334.10718	100.0
335.10944	0.4
336.11945	0.4
338.13852	0.3
396.38654	0.3
407.49417	0.3
410.75644	0.4
587.45667	0.4
780.02460	0.3
784.25891	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90391	0.4
59.70372	0.5
69.74400	0.5
69.81329	0.5
72.61705	0.5
81.03378	0.5
82.72352	0.5
93.30520	0.4
96.56194	0.6
99.04420	0.7
104.71186	0.4
146.88905	0.5
152.28757	0.5
160.22365	0.5
163.11452	0.5
178.44728	0.5
207.06496	0.6
290.08154	9.3
291.08401	0.7
302.08038	3.2
304.06030	9.9
308.09116	3.8
313.81253	0.5
318.07602	13.9
319.08389	54.8
320.09067	14.1
321.09436	2.5
322.10437	2.7
323.11282	0.9
334.10730	100.0
335.11111	6.8
336.12259	21.4
337.12589	2.2
338.13715	4.2
784.25128	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
119.83362	0.3
136.27534	0.4
175.42677	0.4
180.08327	0.4
290.08112	12.4
302.08026	3.5
304.06055	11.1
318.03842	0.5
318.07602	16.7
319.08398	61.5
320.09106	2.3
334.10742	100.0
335.11249	0.6
336.12143	0.8
337.12689	0.4
338.13562	0.9
490.21536	0.4
603.36053	0.5
672.55469	0.5
784.25995	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29064	0.3
64.28630	0.3
69.34634	0.3
103.79785	0.3
197.65837	0.3
200.49504	0.3
210.53424	0.4
214.28513	0.4
290.08105	1.6
292.09692	2.5
304.06073	0.9
315.11832	1.5
318.07495	2.3
319.08374	6.4
320.09167	100.0
321.09589	0.9
322.10663	0.5
329.61887	0.4
334.10751	13.1
335.11261	0.5
336.12241	3.7
337.12823	1.9
338.13394	0.4
438.98239	0.4
784.32098	25.9
806.55927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	50.6
74.76654	0.7
77.70551	0.7
92.21471	1.2
100.88918	0.7
116.15011	0.7
121.06589	0.8
148.05225	1.4
152.88823	0.8
166.06241	1.2
181.08591	35.2
190.06255	2.9
205.08633	6.2
218.19882	0.9
289.08438	1.2
292.64731	0.8
294.11496	0.9
301.08722	1.4
309.11469	3.7
310.12112	1.3
318.08411	1.2
319.08362	6.5
320.09302	5.0
321.11310	1.6
333.07825	0.9
333.11435	5.2
334.10718	25.0
335.11087	1.6
336.12222	1.9
341.13983	1.6
351.12219	1.5
447.15005	3.3
551.16980	0.9
553.16833	1.1
571.18616	1.6
581.16614	1.1
583.17169	1.2
586.19781	1.2
599.16797	2.8
615.19940	1.5
629.21320	1.7
631.19434	1.8
661.24316	3.0
706.29962	1.2
721.26294	3.5
739.28326	0.9
766.32819	4.8
784.33362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	52.6
66.72894	1.2
68.50868	1.2
160.35886	1.3
181.08589	41.8
181.10036	1.9
188.75748	1.5
190.06367	2.5
205.08643	5.1
227.18951	1.5
310.12247	2.1
319.08548	8.6
320.09149	9.6
333.11325	2.0
334.10669	44.8
335.11240	3.0
336.12289	2.1
351.12518	1.5
461.13846	1.7
581.17609	1.4
599.17505	1.7
615.20184	1.8
629.21857	1.8
644.26807	1.7
686.29620	2.1
706.30377	1.6
721.25891	1.5
766.31677	5.1
784.33289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82689	2.9
57.14474	3.0
58.48032	3.4
73.95929	3.9
81.95097	3.1
115.77261	3.7
121.96450	4.1
137.59740	4.0
138.96892	3.7
174.05577	32.8
187.06299	6.7
193.81201	4.1
269.90906	4.0
306.04279	5.8
306.07556	66.2
307.08270	8.2
320.09201	5.7
321.09998	19.7
322.07169	12.5
322.10727	20.1
323.07788	7.5
324.08618	28.6
334.10730	15.0
338.10175	43.5
339.11133	39.8
346.10608	19.9
346.37616	4.6
485.14734	5.1
498.62311	4.3
500.16888	9.2
592.93005	5.2
612.40271	15.7
766.46625	49.2
784.47949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21782	1.3
72.82074	1.1
86.09705	100.0
112.11266	2.4
120.08107	33.7
154.15910	20.5
157.13333	13.1
185.12837	33.7
188.14403	6.6
192.27808	1.4
199.18042	36.7
201.15810	1.4
209.16396	1.4
219.11472	1.6
225.19633	13.5
227.17526	32.5
233.16449	37.8
243.56296	1.4
253.19092	16.4
259.18161	6.5
261.15991	33.2
262.53885	1.4
267.24301	14.3
287.17575	6.4
295.23727	11.3
298.21234	14.4
301.22723	18.4
329.22375	8.9
332.19748	6.3
336.12439	2.1
342.74310	1.5
366.27798	1.9
371.82260	1.4
374.24384	2.4
400.26047	6.6
442.30731	2.1
524.38403	1.9
558.36627	3.1
626.42950	2.1
671.44720	18.0
699.45789	2.1
739.51727	1.9
756.53839	13.1
766.52686	1.5
784.38867	2.8
784.53333	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.4
57.03442	16.4
58.74453	1.8
67.05526	32.5
69.03416	3.3
69.07063	12.3
71.04961	2.5
73.02925	2.6
74.66930	2.2
78.77864	2.2
79.05482	19.5
81.03410	2.8
81.07055	28.2
83.08631	9.7
85.02922	4.5
85.06553	3.8
91.05475	25.6
93.07050	21.2
95.04964	4.5
95.08605	27.0
97.02887	4.0
97.10195	17.1
105.07021	24.1
107.08584	19.8
109.06529	4.0
109.10162	13.2
110.22906	2.4
111.08129	2.2
117.07039	16.0
119.08584	25.3
121.06499	4.7
121.10142	12.6
123.08015	3.7
125.09621	11.1
128.06252	2.8
129.07016	12.4
131.08542	17.2
131.29016	2.2
132.56827	2.8
133.10135	15.8
135.08040	3.2
135.11765	4.9
137.09688	3.3
141.07007	5.3
143.08585	15.6
145.10117	22.1
147.08060	4.5
147.11687	9.0
155.08556	5.9
157.10129	16.5
159.11679	9.9
161.09645	4.2
161.13254	3.3
161.67834	2.7
167.08607	2.4
169.10091	11.8
169.88023	2.9
171.11671	9.8
173.13184	4.3
175.14804	3.5
181.10153	9.7
183.11693	14.9
185.13338	2.8
195.11708	12.0
197.13257	10.1
201.12718	2.5
207.11665	2.6
209.13229	11.6
211.14935	4.0
221.13275	5.2
223.14883	5.2
227.12764	3.7
235.14961	2.8
237.16331	3.5
273.18509	4.0
320.09149	2.7
333.23911	3.5
336.12277	3.6
337.12820	2.5
338.35269	2.5
531.38025	10.3
533.04364	3.0
546.85144	2.6
549.39111	5.7
551.37274	3.8
605.42065	69.9
623.43079	100.0
767.45282	3.7
785.47192	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	60.7
60.40504	0.6
61.35141	0.6
161.05952	0.8
181.08554	10.3
205.08722	0.8
207.06583	0.7
219.08014	0.8
249.09218	3.7
251.10634	1.2
260.08344	0.7
261.09106	0.7
267.10114	0.9
275.10748	1.1
276.07974	0.8
277.08591	31.8
278.09552	1.3
279.10165	6.3
281.11771	0.9
283.09607	1.2
291.10269	0.9
292.10562	0.8
293.11938	1.1
294.08865	26.1
294.11810	0.9
295.09808	1.1
297.11234	0.7
303.10223	4.1
304.11005	0.9
307.85529	0.8
309.11200	100.0
309.53635	0.8
311.12595	4.8
319.08780	1.4
320.09171	4.5
321.10956	0.7
334.10736	5.8
335.12759	4.8
336.13107	0.8
354.17041	1.0
402.36087	0.8
599.40875	0.8
723.28754	0.9
757.78986	0.7
768.33899	4.9
786.35083	91.5
809.12329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	63.3
58.87148	1.3
69.50349	1.1
71.59185	1.2
72.64855	1.2
77.56295	1.2
85.02903	2.0
85.15221	1.1
88.66187	1.2
99.04446	1.8
134.56331	1.6
163.11253	1.3
167.37076	1.2
181.08630	10.8
207.09979	1.5
238.54146	1.4
249.09074	2.2
262.10626	1.8
277.08551	32.2
279.10217	6.6
283.09869	1.6
294.08835	22.1
297.11014	2.0
303.10049	5.1
307.09424	1.8
309.11200	100.0
311.12607	2.1
318.07565	1.9
319.08466	5.5
320.09177	8.3
322.10760	2.6
323.11942	2.1
334.10699	14.2
335.12582	6.3
336.12256	2.1
359.83261	1.4
367.15402	2.1
409.23605	1.8
586.19861	1.5
601.97449	1.5
727.62115	1.5
768.33008	3.0
786.35168	88.1
786.57019	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54736	0.4
70.13564	0.3
102.22366	0.4
103.36143	0.4
247.17847	0.4
292.09637	2.3
300.87808	0.5
320.09161	100.0
336.12375	0.6
348.40897	0.5
786.34857	28.7
795.50366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16807	2.5
58.06608	5.3
94.19501	3.9
94.35065	2.9
99.76680	3.6
100.62325	3.4
101.74643	3.3
102.49368	2.8
122.69864	3.2
149.86082	3.8
164.74176	3.4
184.07397	4.4
236.14911	44.9
320.09195	6.9
474.37692	5.5
520.91333	3.8
534.15814	4.1
586.22156	4.9
630.21198	13.0
768.35193	5.4
786.22412	5.5
786.36383	100.0
786.60547	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3631
Annotation	Rifaximin
Peak:m/z	Relative Intensity
67.05472	0.3
69.07063	0.4
83.24035	0.3
86.09700	0.5
160.03987	0.5
165.09221	0.3
172.03931	10.1
184.07333	3.1
190.04984	100.0
218.04495	2.8
268.09528	0.4
334.07153	0.6
334.10889	0.5
369.77243	0.4
431.18472	1.5
436.50687	0.3
485.37686	0.4
588.01355	0.4
742.37000	0.5
768.35217	5.4
786.36298	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25474	0.4
67.61293	0.4
79.39291	0.4
84.74454	0.4
101.25323	0.4
112.54906	0.4
113.98265	0.4
147.57211	0.4
158.57387	0.5
178.51784	0.4
290.08102	9.6
294.74905	0.5
302.08127	3.0
304.06021	9.1
305.28354	0.5
318.07578	14.3
319.08389	54.3
334.10709	100.0
336.25452	0.4
484.59753	0.6
741.09082	0.5
771.50916	0.6
787.23352	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25474	0.4
67.61293	0.4
79.39291	0.4
84.74454	0.4
101.25323	0.4
112.54906	0.4
113.98265	0.4
147.57211	0.4
158.57387	0.5
178.51784	0.4
290.08102	9.6
294.74905	0.5
302.08127	3.0
304.06021	9.1
305.28354	0.5
318.07578	14.3
319.08389	54.3
334.10709	100.0
336.25452	0.4
484.59753	0.6
741.09082	0.5
771.50916	0.6
787.23352	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40286	0.2
63.15465	0.2
71.58990	0.2
82.56090	0.2
83.24797	0.2
99.04434	0.4
116.70398	0.2
137.05956	0.3
147.04430	0.3
150.26938	0.2
177.05467	0.3
194.20914	0.2
258.74731	0.2
276.06390	0.3
287.78656	0.3
290.08105	9.4
299.60703	0.2
300.72565	0.2
302.08002	2.6
304.06009	10.0
305.06888	0.3
318.07602	11.9
319.08380	54.9
320.09595	0.3
321.09537	0.4
322.10226	0.3
334.10718	100.0
336.12289	0.6
345.82062	0.2
353.28375	0.2
372.46082	0.3
517.12109	0.2
787.23352	30.3
789.41486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03469	0.5
64.76665	0.4
66.32913	0.6
81.71034	0.5
83.10046	0.5
89.89651	0.6
97.02898	0.6
102.30627	0.6
137.06009	0.7
168.45039	0.5
204.62584	0.5
207.06432	0.8
281.12729	0.6
287.11148	0.5
290.08081	9.9
302.08035	3.0
304.05991	12.1
318.07602	12.6
319.08405	55.5
320.09100	3.0
320.77020	0.5
321.09521	3.5
334.10730	100.0
336.12253	0.7
392.70724	0.6
457.35223	0.5
510.42053	0.6
570.98877	0.7
662.52405	0.7
787.23236	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03469	0.5
64.76665	0.4
66.32913	0.6
81.71034	0.5
83.10046	0.5
89.89651	0.6
97.02898	0.6
102.30627	0.6
137.06009	0.7
168.45039	0.5
204.62584	0.5
207.06432	0.8
281.12729	0.6
287.11148	0.5
290.08081	9.9
302.08035	3.0
304.05991	12.1
318.07602	12.6
319.08405	55.5
320.09100	3.0
320.77020	0.5
321.09521	3.5
334.10730	100.0
336.12253	0.7
392.70724	0.6
457.35223	0.5
510.42053	0.6
570.98877	0.7
662.52405	0.7
787.23236	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61755	0.2
64.36687	0.2
67.00443	0.2
103.05418	1.6
112.52525	0.2
131.04120	0.3
131.04929	4.9
144.81992	0.3
290.08130	7.2
302.08118	1.9
304.05997	7.0
309.18964	0.2
318.07578	8.9
318.11145	0.5
319.08383	49.6
320.08932	0.5
326.81107	0.3
334.10721	100.0
372.12320	0.6
584.18219	0.3
626.18616	5.5
788.25421	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.254
Annotation	Unknow
Peak:m/z	Relative Intensity
83.92847	0.4
90.63621	0.4
98.60757	0.3
101.52625	0.4
125.55580	0.4
152.55219	0.4
190.88084	0.4
205.08221	0.4
254.72401	0.5
290.08118	9.1
302.08026	2.8
304.06030	7.1
318.07590	11.3
319.08392	54.2
334.10724	100.0
424.36374	0.4
496.17825	0.4
563.30615	0.5
788.25427	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34499	0.4
67.64140	0.4
125.96281	0.5
131.04897	3.7
137.05920	2.7
152.47369	0.5
175.07445	0.7
187.07541	0.7
197.16656	0.5
251.10620	0.5
253.81448	0.5
279.10245	0.7
290.08112	8.3
302.07990	2.6
304.05948	7.5
318.07568	9.4
319.08386	53.4
320.09113	1.1
334.10715	100.0
336.12433	0.9
371.25757	0.5
626.17920	0.9
626.26324	0.8
788.25372	41.0
788.74554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98562	0.3
58.08320	0.3
59.41466	0.3
92.21044	0.5
99.04445	0.5
140.19250	0.4
141.63734	0.4
142.25778	0.4
181.04047	0.4
290.08072	6.1
295.03647	0.4
302.08005	1.6
304.05997	4.8
308.09308	0.6
318.07568	6.8
319.08371	34.0
320.09024	3.1
321.09476	0.6
322.10693	0.6
334.10721	100.0
335.11264	0.5
335.92001	0.5
336.12073	1.7
727.64984	0.5
731.03802	0.5
761.98346	0.5
788.37225	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97110	0.2
57.12649	0.1
58.06606	0.2
63.58543	0.2
99.04460	0.8
100.87907	0.2
102.92580	0.2
116.91712	0.2
154.76833	0.2
166.25433	0.2
195.22952	0.2
225.39337	0.2
276.06558	0.4
290.08121	4.6
302.08118	1.2
304.06064	4.0
318.07574	5.4
319.08395	31.0
320.09033	0.7
334.10730	100.0
336.12378	0.4
409.32220	0.2
583.30127	0.2
598.51385	0.2
739.54047	0.2
788.36523	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72532	0.2
123.08075	0.2
143.73357	0.2
160.73509	0.2
276.06552	0.3
290.08118	5.0
302.07999	1.5
304.06009	4.5
318.07626	5.6
319.08383	32.1
320.09021	0.3
334.10721	100.0
336.12726	0.3
788.36438	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06412	0.2
95.08592	0.4
99.04438	0.5
105.46658	0.3
105.95390	0.3
107.08620	0.3
118.08300	0.3
129.06985	0.3
133.06502	0.4
138.61908	0.3
153.05348	0.3
154.06293	0.3
159.08043	0.4
161.06006	1.0
166.06310	0.4
175.07559	1.7
181.08575	7.4
187.07585	2.5
199.07520	0.7
290.08182	4.9
295.13571	0.4
302.08270	0.7
304.06036	4.4
318.07617	5.7
319.08392	32.6
320.09244	1.3
324.13577	0.4
334.10733	100.0
335.11594	0.3
336.12955	1.3
355.15408	3.1
367.15433	1.3
385.16449	1.4
788.37469	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79094	0.2
60.10622	0.2
62.85875	0.2
69.40409	0.2
70.73612	0.2
74.90291	0.2
77.15318	0.2
90.80176	0.2
99.04425	0.4
99.12769	0.2
111.77386	0.2
131.08739	0.2
290.08066	4.1
302.08051	1.3
304.06085	3.5
318.07578	6.3
319.08374	32.1
320.09348	0.4
334.10715	100.0
336.12103	0.3
374.09677	0.3
531.16083	0.3
556.85870	0.2
692.63965	0.2
788.36548	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.363
Annotation	Unknow
Peak:m/z	Relative Intensity
75.46701	0.3
78.79523	0.2
116.42964	0.2
120.61190	0.3
155.02405	0.3
228.75845	0.3
290.08096	4.6
302.08243	0.3
304.06104	4.3
318.07559	6.0
319.02850	0.4
319.08392	32.9
334.10724	100.0
637.15851	0.3
788.36432	11.0
792.46149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.6086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07096	14.6
57.90818	6.6
68.86626	8.2
71.08652	39.5
75.06470	6.9
77.06056	7.4
83.08616	6.6
85.10213	15.3
89.06027	100.0
92.21549	9.0
103.35306	6.9
117.09247	7.4
133.08615	15.6
148.67496	7.1
309.19019	8.4
318.06036	9.4
327.79327	8.2
344.24307	8.1
591.72351	8.6
691.01447	8.7
771.58099	19.3
788.60712	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67852	0.3
64.41268	0.3
73.16718	0.3
82.64398	0.3
88.86942	0.4
117.43000	0.4
228.00215	0.4
290.08054	8.5
292.09473	1.7
302.08087	1.8
304.06055	5.1
318.07574	8.8
319.08374	51.3
320.09143	8.0
321.09854	2.9
334.10709	100.0
335.11261	0.7
336.12271	55.3
372.12411	0.6
462.46069	0.5
608.17706	1.5
719.00403	0.4
790.23602	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85459	0.2
60.79516	0.2
73.82822	0.2
80.52412	0.3
89.37827	0.3
122.21732	0.2
188.92734	0.2
290.08246	0.5
292.09634	3.1
307.08514	0.6
318.07516	0.9
319.08389	1.6
320.09180	100.0
334.10657	2.6
336.08383	0.3
406.09058	2.8
407.09180	2.3
452.11450	0.3
484.14291	0.4
544.16290	0.4
790.27094	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59046	0.9
68.65108	1.0
70.62737	0.9
120.93879	1.1
182.62971	1.3
290.07983	8.0
292.09769	2.4
302.08267	1.6
304.05972	6.5
315.11914	1.2
316.81873	1.3
318.07675	13.2
319.08405	45.1
320.09177	100.0
321.09708	4.4
322.10352	1.6
334.10703	74.5
336.12173	8.1
337.13028	8.5
605.05444	1.4
782.72522	1.4
790.27045	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54305	0.6
55.58807	0.6
57.31710	0.6
68.32624	0.6
74.91093	0.6
80.99963	0.6
129.28299	0.7
244.70985	0.8
290.08203	6.3
292.09665	8.2
292.12592	0.8
302.08258	1.3
304.06104	6.9
306.07755	1.4
318.07541	9.5
319.08392	51.1
320.03571	0.9
320.09195	61.0
321.09958	25.3
334.10748	100.0
335.11429	1.1
336.12311	76.6
790.26935	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35113	0.2
59.78018	0.2
60.46496	0.2
67.41386	0.2
74.03442	0.3
99.04427	0.3
110.65447	0.3
145.02747	0.4
177.05495	2.3
181.08524	1.1
207.06589	0.6
209.08134	0.3
276.06454	0.5
290.08136	7.5
302.08179	1.8
304.06024	7.0
318.07596	9.6
319.08411	51.9
320.09131	3.6
334.10748	100.0
335.11090	0.6
336.12173	1.7
350.10300	0.5
636.85272	0.3
790.27063	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06240	0.2
82.11345	0.2
92.21528	0.3
123.63532	0.2
127.51740	0.2
141.25705	0.2
146.98399	0.2
147.23090	0.2
170.36469	0.2
175.03844	0.2
184.31168	0.2
207.06459	0.2
290.08105	0.7
292.09616	3.4
304.06009	0.8
308.09186	0.3
318.07544	1.7
319.08426	4.5
320.09177	100.0
321.09821	0.4
334.10736	9.4
336.08685	0.2
336.12317	0.8
369.42789	0.2
463.95236	0.2
734.49976	0.2
790.26996	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28706	0.3
71.05907	0.4
71.76131	0.3
79.56849	0.4
80.38108	0.4
83.71084	0.4
93.32976	0.4
95.70528	0.4
104.23170	0.4
108.13033	0.4
115.01534	0.4
122.11022	0.4
128.61945	0.4
217.86888	0.4
292.09634	3.6
307.08429	1.7
318.07495	0.7
319.08600	1.7
320.09180	100.0
321.09885	0.5
334.07208	0.4
334.10617	3.7
336.12238	3.2
484.13641	0.7
526.88135	0.5
544.16199	0.6
790.26971	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97478	0.2
127.98734	0.3
162.53191	0.3
165.05449	0.3
168.23218	0.3
204.91368	0.4
220.57335	0.4
231.16570	0.3
290.08044	0.4
292.09598	3.6
318.07764	0.6
319.08286	1.3
320.09171	100.0
334.10626	2.5
336.12299	1.5
790.27069	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04710	0.4
71.18455	0.4
75.00663	0.4
96.05529	0.5
107.60744	0.4
163.54417	0.4
252.01433	0.4
275.09299	0.7
276.10184	0.5
278.08057	2.8
290.08115	0.7
292.09726	2.9
302.07855	0.5
304.06229	1.2
304.09622	10.0
306.07553	1.9
307.08340	6.0
318.07608	3.0
319.08411	7.6
320.09161	94.0
321.09714	1.0
322.10733	2.2
332.09161	2.0
334.10736	14.2
336.12338	3.2
409.09372	2.6
424.11746	2.0
426.13507	1.1
434.10291	0.9
436.11957	0.9
438.13156	2.2
440.11053	0.8
442.12778	1.9
450.59924	0.5
452.11224	24.5
453.12234	0.9
454.12939	3.7
456.14432	2.6
466.12744	2.0
468.11172	2.4
470.12421	1.7
482.12241	1.1
484.13843	6.3
498.15762	0.5
528.12805	1.7
530.14398	1.9
544.15979	21.0
732.22650	3.8
760.23328	0.7
774.25116	1.5
790.26990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79774	0.1
76.42616	0.2
192.05353	0.2
206.23497	0.2
290.08057	0.3
292.09689	2.8
318.07565	0.8
319.08240	0.3
320.09167	100.0
334.10754	1.1
790.26959	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
75.33199	0.5
94.76569	0.6
118.95109	0.7
125.75078	0.5
141.39711	0.5
176.84476	0.6
184.92287	0.6
290.08102	6.3
292.09702	3.1
302.08450	0.8
304.06006	6.2
304.09235	0.7
318.07587	10.6
319.04944	1.0
319.08371	43.9
320.09164	100.0
321.09561	1.2
334.10736	74.9
335.11337	1.1
336.12207	7.4
337.12616	0.9
790.27045	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26447	0.1
56.68414	0.1
57.62018	0.1
80.13802	0.1
81.03362	0.2
99.04411	0.6
102.52475	0.1
111.73121	0.1
162.32222	0.2
165.09094	1.9
166.74579	0.1
167.07054	0.2
228.96577	0.1
277.06985	0.1
278.07968	0.2
290.08102	0.9
292.09628	3.0
302.07733	0.2
304.06009	0.2
306.07565	0.2
318.07669	1.1
319.08420	2.8
320.09167	100.0
321.09518	0.7
322.10800	0.2
334.10748	6.0
335.11185	0.5
336.12247	2.8
350.09927	0.3
432.58838	0.1
489.13010	0.2
489.31750	0.2
615.66022	0.1
788.46173	0.2
790.26971	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35113	0.2
59.78018	0.2
60.46496	0.2
67.41386	0.2
74.03442	0.3
99.04427	0.3
110.65447	0.3
145.02747	0.4
177.05495	2.3
181.08524	1.1
207.06589	0.6
209.08134	0.3
276.06454	0.5
290.08136	7.5
302.08179	1.8
304.06024	7.0
318.07596	9.6
319.08411	51.9
320.09131	3.6
334.10748	100.0
335.11090	0.6
336.12173	1.7
350.10300	0.5
636.85272	0.3
790.27063	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35113	0.2
59.78018	0.2
60.46496	0.2
67.41386	0.2
74.03442	0.3
99.04427	0.3
110.65447	0.3
145.02747	0.4
177.05495	2.3
181.08524	1.1
207.06589	0.6
209.08134	0.3
276.06454	0.5
290.08136	7.5
302.08179	1.8
304.06024	7.0
318.07596	9.6
319.08411	51.9
320.09131	3.6
334.10748	100.0
335.11090	0.6
336.12173	1.7
350.10300	0.5
636.85272	0.3
790.27063	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03446	1.4
57.07082	3.3
61.02933	1.4
67.05512	4.2
69.03419	5.6
69.07071	3.4
71.08660	0.7
73.02923	0.7
74.52287	0.8
75.11217	0.6
81.03442	1.3
81.07059	6.8
83.08621	3.1
85.02911	41.2
85.10185	18.5
87.04452	0.7
89.37960	0.6
91.03948	3.0
91.05493	1.1
93.07048	3.6
95.08609	61.9
97.02882	8.4
97.10151	0.9
99.04469	3.4
105.07038	2.9
107.08583	9.3
109.02864	3.8
109.10156	7.0
113.09652	16.3
119.08569	4.1
121.10123	8.0
123.11733	5.0
127.03935	9.8
131.08560	1.5
133.10114	7.9
135.11682	5.9
143.08582	2.7
145.04971	12.8
145.10121	6.6
147.11697	12.0
149.13243	1.6
151.11147	1.0
157.10129	12.0
159.11684	15.8
161.13235	8.7
163.06027	4.5
163.11148	0.8
171.11668	4.9
173.13232	5.6
175.11198	1.4
175.14784	3.1
179.17972	1.3
183.11743	1.5
185.13249	2.8
187.14795	3.0
197.13261	4.5
199.14833	4.0
201.16388	0.8
211.14830	3.6
213.16393	3.9
225.16379	1.4
227.17967	0.8
251.17902	3.3
253.19518	33.2
255.21152	1.0
271.20541	36.0
281.22672	6.5
283.24280	4.3
290.08221	1.0
291.08594	1.4
299.23730	7.5
304.05994	1.4
305.06345	0.8
305.62811	0.8
318.07587	1.2
319.08362	12.2
320.08716	10.2
321.08972	4.2
325.11316	6.5
334.10742	35.3
335.11090	27.8
336.11401	19.3
377.32016	3.1
395.33063	19.1
413.34146	100.0
431.35190	4.7
790.38153	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46714	0.7
60.08164	6.1
69.43457	0.8
70.08463	0.8
71.48290	0.8
77.25302	0.8
81.89589	0.8
86.09708	26.0
104.10722	1.3
106.08247	0.9
117.39817	0.9
124.99989	12.8
131.22833	0.9
165.07857	0.8
184.07335	100.0
193.57539	0.9
206.83653	0.9
209.10080	0.8
282.14993	0.9
689.61908	1.0
690.46698	1.5
713.28113	0.9
772.55042	1.6
790.55951	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35688	3.4
61.54218	3.4
63.20146	3.4
69.03439	4.9
81.03446	8.7
85.02885	16.5
85.06496	3.8
91.05466	7.9
99.04456	100.0
107.06872	3.2
117.07040	5.5
119.04934	23.0
124.26762	3.3
127.04009	4.3
129.37941	3.4
145.06433	3.9
147.04387	37.4
149.16669	4.3
166.06258	23.4
167.06952	13.0
169.08600	7.2
175.03885	75.2
178.06175	4.7
179.06938	4.8
181.08568	54.8
188.08362	7.1
189.09016	5.1
191.07039	6.7
192.07846	4.1
203.96103	3.8
204.07832	16.0
207.06511	84.8
207.10106	7.5
211.09729	7.7
217.04939	9.0
217.36447	4.1
219.10091	8.9
223.06026	4.4
223.09723	4.5
231.06541	6.0
233.07957	4.4
245.08073	30.6
247.09558	7.9
248.86462	4.4
249.07571	14.8
261.07587	19.3
275.09140	24.3
277.10815	4.1
290.08087	5.7
291.08774	4.9
299.76370	3.7
319.08395	32.8
320.08691	38.1
321.09018	18.2
334.10681	57.2
335.11072	58.5
336.11386	30.0
337.11832	7.8
339.37103	3.9
391.13992	5.3
429.15576	28.2
791.31335	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
57.03452	0.4
66.31245	0.4
66.91232	0.4
67.05508	1.1
68.33556	0.4
69.03439	3.4
70.95275	0.4
71.01347	0.4
71.04980	0.5
73.02930	0.6
74.23096	0.4
79.05503	2.0
81.03422	6.0
81.07047	0.8
83.04990	2.9
85.02912	3.6
85.06536	0.5
87.04481	0.5
91.05477	11.3
93.07016	1.0
95.04951	3.6
95.08626	0.7
97.02891	2.4
97.06550	3.2
99.04456	18.7
103.05479	0.5
105.07056	1.7
106.55729	0.4
107.04950	1.7
107.08639	0.5
109.02898	0.8
109.06538	2.0
111.04428	0.5
113.06013	2.2
115.03911	0.7
117.05547	0.4
119.04075	0.9
119.04935	29.0
119.08624	0.9
121.06513	1.9
123.04446	1.6
123.08039	0.6
125.06004	0.8
131.04884	0.5
133.06494	0.8
135.08066	1.0
136.05153	0.5
137.05974	1.8
139.07568	1.8
145.06398	0.4
147.04408	32.1
147.08017	3.2
148.05182	0.7
149.06018	1.0
151.07568	2.2
154.55443	0.5
157.03947	2.6
157.06436	0.5
159.08002	0.4
163.07529	1.7
164.17882	0.4
165.09081	0.6
166.06233	0.4
167.07034	2.7
169.08603	0.5
175.03896	83.0
175.07408	7.3
176.08269	0.9
177.05463	1.0
178.06247	0.8
178.49739	0.4
179.07031	3.5
180.07753	0.6
181.04999	0.5
181.08586	13.1
188.08321	0.5
191.07007	0.9
192.07819	5.5
193.08583	7.7
195.10141	5.7
203.06937	0.4
204.07814	1.8
205.04955	1.7
205.08582	0.9
206.09470	0.6
207.06514	100.0
207.10129	6.1
209.08084	1.7
211.09683	6.0
219.10133	2.7
221.08037	3.6
223.06033	2.0
223.09590	3.5
229.10753	0.9
231.06552	0.6
231.10228	0.6
235.09682	0.9
241.10666	0.7
242.09334	0.8
245.08090	3.0
247.09613	1.9
275.09247	0.7
291.12082	1.1
301.10532	0.9
319.08289	1.8
319.11749	1.0
320.09000	2.5
334.10596	3.2
335.10956	2.5
336.11771	0.6
337.12646	0.7
399.14264	2.0
403.17719	0.5
411.14063	0.6
433.18521	0.8
453.17322	2.2
667.18921	0.5
747.61346	0.5
791.31403	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
103.83028	0.2
131.07790	0.2
150.31296	0.2
170.82010	0.2
202.75822	0.2
209.88657	0.2
277.07098	0.2
290.08038	0.7
292.09598	3.2
318.07718	0.3
319.08331	0.8
320.09167	100.0
334.10660	1.5
335.11166	0.3
336.11887	0.2
400.77148	0.2
526.34491	0.2
581.27136	0.1
594.15704	1.1
714.25348	0.2
792.21252	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89690	0.2
63.35126	0.2
68.13884	0.2
73.94798	0.2
92.21527	0.3
276.06451	0.4
290.08084	7.2
295.92255	0.2
302.08176	2.4
304.06003	6.9
308.09045	1.9
318.07574	9.4
319.08371	51.3
320.09082	0.3
322.10724	0.3
334.10709	100.0
374.14050	0.4
432.14609	0.3
709.51990	0.3
792.24915	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
84.66125	0.3
100.56120	0.4
122.57650	0.4
167.48640	0.4
168.13530	0.3
290.08090	6.5
302.08124	2.3
304.06064	6.3
308.09149	52.0
318.07541	10.0
319.08395	50.5
320.09158	0.8
322.10751	0.7
334.10724	100.0
348.82825	0.4
792.24957	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89690	0.2
63.35126	0.2
68.13884	0.2
73.94798	0.2
92.21527	0.3
276.06451	0.4
290.08084	7.2
295.92255	0.2
302.08176	2.4
304.06003	6.9
308.09045	1.9
318.07574	9.4
319.08371	51.3
320.09082	0.3
322.10724	0.3
334.10709	100.0
374.14050	0.4
432.14609	0.3
709.51990	0.3
792.24915	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04236	0.3
57.83720	0.3
61.96983	0.2
86.66328	0.3
89.01936	0.3
94.09489	0.3
97.02880	0.7
99.04478	0.4
101.97547	0.4
107.08569	0.4
109.02889	0.5
114.09174	0.8
132.43088	0.3
137.05937	0.5
139.26256	0.3
145.02859	0.7
147.11739	0.3
163.11168	1.9
167.03409	0.3
169.08612	2.1
177.05507	2.2
188.82404	0.3
191.10620	0.4
227.12776	1.2
278.08023	0.4
290.08200	0.5
292.09662	8.2
304.06317	0.6
304.09753	0.7
306.07565	3.3
318.07858	0.6
319.08435	4.1
320.05399	0.5
320.09180	14.4
321.09937	29.1
322.10336	1.5
334.10779	9.4
335.10922	2.4
336.12302	100.0
353.15958	0.6
360.56073	0.3
371.16772	1.3
389.18381	0.6
421.42517	0.4
452.79279	0.3
471.10590	0.4
580.53406	0.4
774.29065	0.5
792.28339	11.7
792.59875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
83.60580	0.2
87.88569	0.2
108.08871	0.2
114.09051	0.2
139.03841	0.2
167.07079	0.2
279.08951	1.7
292.09692	0.8
293.09943	0.3
294.11319	0.4
307.08359	11.3
319.08261	0.9
320.09134	11.4
321.09485	9.6
322.10696	100.0
323.11630	0.3
334.10556	1.4
336.12231	2.9
337.13007	0.3
470.16324	0.3
486.15298	0.3
514.15027	1.0
515.15637	1.1
530.18219	1.9
532.17401	0.2
570.21558	0.3
597.66925	0.2
598.20612	0.3
614.21332	0.3
748.25983	0.4
762.24146	0.3
776.25043	0.4
792.28473	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
83.60580	0.2
87.88569	0.2
108.08871	0.2
114.09051	0.2
139.03841	0.2
167.07079	0.2
279.08951	1.7
292.09692	0.8
293.09943	0.3
294.11319	0.4
307.08359	11.3
319.08261	0.9
320.09134	11.4
321.09485	9.6
322.10696	100.0
323.11630	0.3
334.10556	1.4
336.12231	2.9
337.13007	0.3
470.16324	0.3
486.15298	0.3
514.15027	1.0
515.15637	1.1
530.18219	1.9
532.17401	0.2
570.21558	0.3
597.66925	0.2
598.20612	0.3
614.21332	0.3
748.25983	0.4
762.24146	0.3
776.25043	0.4
792.28473	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22578	0.2
67.76166	0.2
80.10025	0.2
85.05820	0.2
95.05238	0.2
119.70788	0.2
160.52248	0.2
207.06551	0.2
279.08978	1.8
294.11163	1.3
307.08371	13.1
320.09262	1.4
321.09665	0.3
322.10733	100.0
334.10675	0.9
336.12347	1.0
338.13773	0.2
365.59311	0.2
486.15497	0.3
530.18427	0.3
546.17493	0.7
570.21771	0.2
582.21350	0.2
584.18970	0.3
598.20404	0.3
614.23181	0.3
634.22675	0.2
679.88757	0.2
738.01025	0.2
776.25555	0.2
792.28638	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04114	0.7
65.03960	1.1
80.19527	0.9
87.71659	1.2
91.05460	2.2
93.03410	4.0
97.02901	47.9
100.36081	0.9
103.05476	1.4
105.07023	1.1
105.46987	0.8
114.07397	0.9
117.03390	5.2
119.04942	5.3
121.02998	1.0
123.04418	1.7
124.05176	1.2
127.07188	0.9
129.07051	1.0
131.04955	1.3
133.02853	7.7
133.06477	1.4
137.05981	19.5
145.02852	43.5
147.04399	7.9
149.02371	5.5
149.06000	5.7
150.06801	1.2
151.03885	1.2
151.07552	4.0
157.06432	1.6
161.05972	5.5
162.03238	1.1
162.06784	4.0
163.07561	1.9
165.05533	2.1
167.03397	21.7
167.04854	1.4
169.06514	1.3
173.05978	2.2
175.03908	9.2
175.07578	4.3
175.30107	1.1
177.05469	100.0
179.07027	4.7
185.06024	1.9
187.07509	1.9
189.05449	1.5
189.09111	5.0
199.07547	6.0
201.05486	15.3
207.06604	1.1
211.07484	1.2
213.05496	5.8
215.07100	2.0
217.08583	7.8
219.06516	5.2
221.08127	4.8
227.06999	7.1
229.08549	1.8
231.06473	2.3
245.08055	10.4
246.34378	1.0
257.08124	2.2
275.09180	4.0
277.08765	1.2
289.07068	1.9
291.08551	8.9
297.07394	1.2
305.08102	3.6
309.09888	1.2
315.08865	4.4
319.08347	8.3
320.09186	47.8
325.10690	11.4
334.10797	17.2
337.10678	2.1
355.11725	11.2
373.12894	12.2
421.12848	7.0
439.13919	12.1
440.85410	1.0
451.13672	4.0
457.14813	5.5
469.14975	2.2
487.15701	1.8
505.16876	4.2
619.20123	1.6
649.20544	4.1
792.29010	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73004	0.3
83.14735	0.4
137.38914	0.4
146.93832	0.4
228.23468	0.4
260.32327	0.4
272.35217	0.4
292.09842	1.5
318.07465	0.4
319.08319	1.9
320.09164	100.0
322.10623	0.7
334.10837	3.7
336.12250	0.7
365.10208	0.4
792.32404	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74316	0.3
59.04642	0.3
68.13905	0.3
77.65972	0.3
130.18187	0.3
167.06989	0.6
175.76152	0.3
181.04970	0.3
202.91628	0.3
203.25534	0.3
274.06848	0.3
290.08118	0.6
292.06760	0.4
292.09726	1.9
318.07733	0.6
319.08472	1.4
320.09174	100.0
321.09549	0.5
322.10522	0.4
334.10666	3.5
335.10938	0.5
336.12231	1.5
709.42761	0.3
792.32367	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47186	0.2
61.72316	0.2
64.41944	0.2
66.68924	0.2
118.97495	0.3
147.79881	0.3
185.45377	0.2
233.03043	0.3
290.08148	0.3
292.09619	2.1
319.08429	1.4
320.09177	100.0
334.10764	1.9
336.12192	1.1
792.32288	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47186	0.2
61.72316	0.2
64.41944	0.2
66.68924	0.2
118.97495	0.3
147.79881	0.3
185.45377	0.2
233.03043	0.3
290.08148	0.3
292.09619	2.1
319.08429	1.4
320.09177	100.0
334.10764	1.9
336.12192	1.1
792.32288	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.323
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77868	0.4
67.86398	0.4
69.45994	0.3
96.76165	0.4
142.80612	0.4
205.58183	0.4
225.53450	0.4
290.07935	0.5
292.09732	2.1
306.07639	0.5
311.56970	0.4
318.07291	0.6
319.08395	0.8
320.09167	100.0
321.09741	0.8
322.10684	1.0
334.10706	4.0
336.12204	1.6
345.45459	0.5
369.13144	0.5
369.69226	0.4
413.66946	0.5
431.49207	0.4
697.05255	0.4
792.32489	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10801	0.1
60.08793	0.1
65.27538	0.1
83.98209	0.2
89.02898	0.2
136.05717	0.2
143.53050	0.2
290.08093	0.3
292.09702	1.9
294.11588	0.3
318.07693	0.3
319.08380	1.4
320.09155	100.0
321.09320	0.2
322.10724	1.0
325.53546	0.2
334.10699	2.9
336.12125	0.9
337.12582	0.2
442.66870	0.2
792.32385	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02695	0.2
69.03433	100.0
77.14081	0.2
86.06071	5.6
86.06554	0.3
87.04465	5.5
104.07087	2.2
105.05586	0.2
120.54405	0.2
123.68920	0.2
155.07025	13.0
172.09680	0.3
173.08109	1.5
190.10757	0.9
241.10735	3.7
258.13440	1.3
259.11734	2.3
276.14505	1.6
277.12619	0.3
320.09451	0.3
327.14410	1.6
336.12372	1.4
344.17188	1.2
345.15417	3.9
362.17963	2.1
363.16583	0.3
413.17670	0.3
413.58084	0.2
430.20761	1.7
431.19028	1.9
448.21616	1.7
516.24536	0.9
517.22852	0.9
534.25360	1.2
602.27954	0.4
603.26520	0.3
620.29095	1.4
677.01660	0.2
688.31482	1.2
706.32806	3.2
752.55640	0.3
792.36731	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96056	15.5
60.61159	13.8
67.05505	72.0
69.07078	18.4
79.05502	40.8
81.07066	77.7
93.07042	44.8
95.08621	38.3
107.08590	32.6
109.34850	17.2
147.11687	19.5
176.07242	20.9
178.19632	16.8
225.12292	20.1
320.09027	22.7
335.25772	100.0
447.90878	21.5
497.70056	21.2
595.46765	21.1
613.47791	33.1
800.49994	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5943
Annotation	CHEBI:86248
Peak:m/z	Relative Intensity
58.49281	0.7
69.07077	3.5
79.05493	1.5
82.65396	0.6
96.08131	20.3
112.08406	0.7
113.10772	10.2
114.09170	93.1
115.07602	1.1
117.43150	0.8
132.10231	1.5
153.51549	0.8
158.89542	0.8
166.54875	0.7
208.18124	1.2
209.16492	43.6
210.14983	3.7
226.19148	14.1
227.17546	10.2
228.15932	25.1
245.18611	1.6
261.03821	0.9
319.08255	0.9
321.26639	3.3
322.10730	5.1
322.24872	24.0
323.23517	1.0
334.10919	1.7
336.12500	1.7
339.27579	10.7
340.26093	3.5
341.24390	11.5
416.07886	0.8
434.34860	1.2
435.33289	8.2
452.36038	5.4
453.34143	1.6
454.32706	2.9
547.43555	1.1
548.41620	1.2
565.44299	1.4
679.51776	1.0
774.58881	4.3
792.27130	4.1
792.59546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49281	0.7
69.07077	3.5
79.05493	1.5
82.65396	0.6
96.08131	20.3
112.08406	0.7
113.10772	10.2
114.09170	93.1
115.07602	1.1
117.43150	0.8
132.10231	1.5
153.51549	0.8
158.89542	0.8
166.54875	0.7
208.18124	1.2
209.16492	43.6
210.14983	3.7
226.19148	14.1
227.17546	10.2
228.15932	25.1
245.18611	1.6
261.03821	0.9
319.08255	0.9
321.26639	3.3
322.10730	5.1
322.24872	24.0
323.23517	1.0
334.10919	1.7
336.12500	1.7
339.27579	10.7
340.26093	3.5
341.24390	11.5
416.07886	0.8
434.34860	1.2
435.33289	8.2
452.36038	5.4
453.34143	1.6
454.32706	2.9
547.43555	1.1
548.41620	1.2
565.44299	1.4
679.51776	1.0
774.58881	4.3
792.27130	4.1
792.59546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80145	0.8
65.03950	5.8
76.80934	0.9
77.75583	0.9
79.05486	1.2
86.05361	0.8
91.05476	2.0
93.03403	4.4
93.07034	1.0
95.04984	2.2
105.01307	0.9
105.07015	1.6
107.04939	7.3
110.03669	5.0
111.04463	9.3
112.31443	1.2
115.05439	1.1
119.04894	1.6
121.06525	2.1
123.04429	4.5
125.06007	9.7
129.07037	2.3
131.04955	4.1
133.06514	1.2
135.04335	1.3
137.05978	11.3
142.67075	1.0
147.04430	1.8
149.05995	4.0
151.03886	4.4
151.07541	7.2
153.05467	42.0
155.07066	1.8
159.08002	4.4
159.59731	1.0
161.05988	5.4
163.03891	2.2
165.05498	1.1
167.05589	1.4
167.07019	37.0
172.05186	1.2
175.07494	7.9
177.05492	2.2
177.09103	1.4
179.03194	0.9
179.06995	1.9
181.04945	1.6
181.08632	1.3
187.07516	11.3
189.09172	1.6
191.07027	7.9
195.06599	1.2
197.05872	1.0
199.07480	3.9
201.09100	1.1
207.06520	4.3
209.08060	5.2
212.08214	1.2
218.07167	1.4
219.08154	1.2
221.09647	2.0
231.10172	5.9
233.09700	1.3
235.07550	1.2
236.08282	1.1
240.07793	19.5
247.07524	2.0
248.08252	2.3
249.09052	5.3
251.10547	2.0
253.08450	1.3
254.09425	1.1
257.08035	4.1
261.09106	1.8
263.10663	1.3
264.07828	2.1
265.08588	2.4
266.09357	6.1
267.06445	2.1
267.09930	1.4
268.07388	1.2
272.10397	6.6
275.07040	1.5
277.08658	4.4
278.09369	4.9
279.10144	6.2
281.08719	1.3
281.11685	9.9
282.08853	4.5
289.08658	2.1
290.09290	1.4
291.10239	2.2
295.09622	2.4
296.10358	1.5
300.09946	5.8
306.08630	1.4
307.09586	4.5
309.11240	28.1
310.12100	2.2
311.12750	5.8
313.14267	2.3
319.09613	4.7
320.09210	6.8
321.11334	3.6
322.10852	4.6
323.11078	2.0
325.14243	1.6
326.11398	2.3
327.12314	1.2
328.12943	1.1
334.10965	1.6
336.12329	2.2
337.10245	8.4
338.11649	1.1
339.12253	26.9
340.13123	1.9
341.13818	100.0
351.12399	4.8
353.13803	10.7
355.11743	5.4
357.13330	1.5
371.14807	10.2
383.14655	1.2
387.14218	1.3
499.16962	1.2
517.18237	4.1
535.19409	1.8
547.19287	1.5
549.21179	8.1
556.30487	1.2
571.39368	1.1
793.28656	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
61.02946	0.9
69.03420	2.3
84.20137	0.6
85.02914	7.8
87.04453	1.0
97.02887	3.3
99.04437	1.1
107.04963	60.7
107.39069	0.6
121.06511	2.7
123.04440	11.0
127.03889	2.5
136.57790	0.6
137.05963	0.8
143.04926	3.0
145.04948	1.1
145.06483	7.9
149.05956	2.4
161.05977	25.1
164.07060	5.7
179.85406	0.7
189.10028	0.6
191.04445	0.6
209.09576	0.8
237.09076	4.5
255.10158	72.1
272.12799	36.3
365.67551	0.8
394.44650	0.7
421.65170	0.7
434.18109	100.0
573.23663	0.7
630.99359	0.7
794.27283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59767	0.3
63.68708	0.3
73.92397	0.3
106.90117	0.4
118.22416	0.3
119.01897	0.4
145.03467	1.7
157.03458	0.9
166.45930	0.3
169.03554	0.4
175.04547	0.8
185.02939	0.6
187.04581	0.4
193.05569	2.7
197.03027	0.5
211.04626	0.7
211.06622	3.7
221.05038	2.6
223.04503	0.4
229.05658	0.7
235.06625	20.1
241.05617	0.5
245.04976	3.0
247.06621	18.0
249.08141	5.3
259.06580	2.9
261.08075	1.5
263.06067	0.7
271.06573	10.8
277.07748	3.4
289.07666	1.3
319.08658	1.4
337.09769	100.0
355.10931	2.4
435.13431	0.7
653.33258	0.4
697.20117	8.5
748.78680	0.4
795.23914	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04168	0.5
116.22395	0.5
207.06694	0.8
292.09644	8.3
304.09714	0.7
306.07523	4.3
319.08295	1.0
320.09146	10.3
321.09940	28.9
334.10928	2.9
336.12296	100.0
398.13947	0.6
440.48636	0.5
533.16406	0.7
549.45081	0.6
707.01752	0.6
796.31757	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
75.31765	0.3
80.21175	0.3
85.02870	0.3
95.95187	0.3
97.17206	0.3
103.41321	0.3
108.69176	0.4
179.43021	0.3
205.93692	0.3
278.07892	0.3
292.09634	8.3
304.09668	0.8
306.07541	3.0
319.08417	0.7
320.09183	10.4
321.09930	30.5
334.10571	2.6
336.12271	100.0
388.55759	0.4
399.87457	0.3
796.31708	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25281	0.6
56.69510	0.6
57.46805	0.6
57.70062	0.6
60.08177	6.2
62.84655	0.6
68.14738	0.8
69.28189	0.6
71.07371	1.9
74.95255	0.7
76.88605	0.7
86.09715	25.2
100.21291	0.7
104.10760	1.4
124.99992	15.3
184.07341	100.0
242.61151	0.9
299.46408	0.8
335.16998	0.8
439.30707	0.9
475.28900	0.8
698.11285	0.8
778.40442	1.1
778.53760	24.7
790.75732	1.0
796.53601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2495
Annotation	Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside
Peak:m/z	Relative Intensity
57.03418	0.2
57.19464	0.2
60.98208	0.2
62.97563	0.2
65.52040	0.2
69.03440	5.5
71.01356	0.2
71.05005	0.2
83.05005	1.4
83.05413	0.2
85.02892	1.2
111.04433	1.8
127.47928	0.2
129.04169	0.2
129.04593	0.2
129.05473	2.0
189.07602	1.1
213.83167	0.2
242.05730	0.3
270.05209	1.3
285.07568	100.0
319.08572	0.3
320.09055	0.7
321.09711	0.3
334.10794	0.7
336.12216	0.4
447.12909	2.6
609.18176	9.1
635.19293	1.2
797.24738	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17777	0.2
60.24364	0.3
65.33330	0.3
67.73611	0.3
68.33620	0.2
92.20901	0.3
102.43372	0.3
115.78456	0.3
166.05605	0.3
183.66370	0.3
290.08072	9.8
302.08148	2.0
304.06046	9.0
318.03867	0.4
318.07593	11.6
319.08383	54.3
320.09113	5.8
321.09525	4.8
334.10721	100.0
335.11023	0.7
336.11929	0.3
452.15094	1.3
494.17291	0.3
548.69922	0.3
582.32733	0.3
797.25323	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17777	0.2
60.24364	0.3
65.33330	0.3
67.73611	0.3
68.33620	0.2
92.20901	0.3
102.43372	0.3
115.78456	0.3
166.05605	0.3
183.66370	0.3
290.08072	9.8
302.08148	2.0
304.06046	9.0
318.03867	0.4
318.07593	11.6
319.08383	54.3
320.09113	5.8
321.09525	4.8
334.10721	100.0
335.11023	0.7
336.11929	0.3
452.15094	1.3
494.17291	0.3
548.69922	0.3
582.32733	0.3
797.25323	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45255	0.5
86.10140	0.6
177.43434	0.6
246.07597	1.0
278.08316	0.9
290.13943	1.1
294.11221	45.2
302.13843	0.8
304.15625	0.7
308.09393	4.8
308.12381	0.7
309.09958	4.0
320.09229	0.8
322.10721	74.9
323.11548	2.8
324.12292	100.0
336.12177	0.9
358.20203	0.7
368.18481	0.6
386.19672	4.3
403.19879	1.2
404.20816	1.1
428.27753	2.8
454.87445	0.6
456.27325	6.4
474.28555	15.3
797.40063	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73088	9.4
77.24688	9.0
80.05051	8.1
81.07057	10.2
89.29636	10.0
92.20990	11.9
97.02924	13.7
155.61211	9.7
175.47221	10.0
177.82262	10.0
180.66525	10.0
280.25623	12.1
418.85376	11.3
797.50842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37834	0.9
63.18676	0.8
70.76342	0.9
81.07075	1.0
86.24770	0.8
109.10182	1.0
117.03403	1.6
141.87347	1.0
145.02846	16.5
154.24713	0.8
169.93446	1.0
177.05458	26.0
190.04922	1.3
207.06656	1.1
215.10674	1.4
233.11711	1.3
243.10139	1.9
290.08234	1.8
292.09702	1.1
304.06207	2.1
317.17603	1.3
318.07745	4.3
319.08353	16.8
320.09076	11.4
321.09555	5.0
322.10693	4.0
330.07541	1.2
331.08310	1.8
334.06985	2.5
334.10648	28.1
335.10895	7.3
336.12219	8.3
337.12436	1.2
348.08606	8.7
349.09573	6.3
354.11148	1.5
355.08267	1.3
355.12183	3.4
366.11301	4.4
367.11923	6.7
368.09207	6.4
369.09918	4.1
370.10709	31.0
382.10834	4.3
383.11475	10.6
383.22159	2.1
384.12314	6.8
385.13159	6.0
396.08661	3.6
398.14285	8.5
408.10861	8.2
409.09457	8.4
410.10266	1.3
414.09702	6.2
427.10565	6.8
428.11310	1.7
442.12689	13.9
444.14236	7.3
470.12659	1.8
506.14624	1.7
512.13483	4.9
524.15619	7.5
542.17975	3.9
543.20239	1.3
700.20105	5.4
706.19690	1.3
712.00165	1.1
736.23853	11.3
798.23657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52414	0.2
67.03979	0.2
67.18414	0.2
69.07049	0.4
93.06964	0.3
109.10149	0.3
180.97646	0.3
198.16321	0.3
215.10576	1.0
217.12256	0.6
229.12166	0.4
231.10201	0.3
233.11732	0.6
243.10178	0.6
249.11113	0.4
261.11197	1.3
271.17029	0.5
273.07840	0.5
287.16434	0.4
290.08105	12.4
302.08142	4.1
304.06073	12.0
304.09460	0.5
317.17493	3.8
318.07605	17.4
319.08392	64.4
320.09009	0.7
327.15906	0.4
334.10733	100.0
335.11227	0.3
336.12363	1.3
337.21634	0.5
355.22632	0.4
383.22171	2.0
439.28784	0.5
678.85815	0.3
798.27570	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79384	0.3
73.12190	0.3
94.72355	0.3
125.59496	0.3
138.51176	0.3
150.43369	0.3
288.52048	0.3
290.08078	11.4
297.69693	0.4
302.08133	3.4
304.06018	11.3
316.45221	0.4
318.07550	14.8
318.11111	0.6
319.08371	59.4
320.08923	0.7
334.10709	100.0
335.11227	0.5
336.12332	0.4
404.24954	0.3
758.81604	0.3
764.99615	0.4
798.27490	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64681	0.4
64.33230	0.4
69.07034	0.6
85.02856	0.5
93.06937	0.6
185.87424	0.5
191.07060	0.6
199.40926	0.5
205.04854	0.5
209.09454	0.5
215.10626	1.0
233.11719	0.8
243.09900	0.5
271.16998	0.6
276.06534	0.6
279.17639	0.6
290.08066	10.6
299.16290	0.6
302.07980	3.5
304.06058	10.6
317.17426	3.4
318.07596	12.8
319.08362	55.4
320.09058	7.7
321.09564	2.5
334.10687	100.0
335.10965	4.1
336.12134	6.3
337.12891	0.8
383.22171	3.0
452.14694	2.5
489.51843	0.5
540.10895	0.5
650.37878	0.6
736.17743	0.6
763.23212	0.6
798.27417	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45278	0.2
60.37808	0.2
66.27188	0.2
76.85397	0.2
81.15525	0.2
174.10599	0.2
268.67389	0.3
276.06635	0.9
290.08078	11.2
291.08429	0.4
302.08081	2.2
303.08975	0.3
304.06003	9.9
305.06458	0.5
318.07584	14.6
319.08365	57.8
320.08771	4.3
334.10709	100.0
335.11029	9.7
336.12213	0.8
798.27441	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.275
Annotation	Unknow
Peak:m/z	Relative Intensity
77.39282	0.3
78.28299	0.3
109.10115	0.9
201.05434	0.6
215.10657	0.6
233.11754	0.5
260.61438	0.4
290.08157	11.8
292.09732	0.9
299.59079	0.4
302.08163	4.5
304.06036	10.8
304.65018	0.4
317.17502	1.8
318.03882	0.7
318.07596	18.0
319.08392	61.7
320.09088	9.4
321.10013	3.3
322.10287	0.5
334.10733	100.0
335.11118	5.8
336.12210	14.9
337.12637	1.7
337.21664	0.5
338.13806	0.6
352.15204	0.4
383.22153	3.6
676.94440	0.5
798.27588	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79384	0.3
73.12190	0.3
94.72355	0.3
125.59496	0.3
138.51176	0.3
150.43369	0.3
288.52048	0.3
290.08078	11.4
297.69693	0.4
302.08133	3.4
304.06018	11.3
316.45221	0.4
318.07550	14.8
318.11111	0.6
319.08371	59.4
320.08923	0.7
334.10709	100.0
335.11227	0.5
336.12332	0.4
404.24954	0.3
758.81604	0.3
764.99615	0.4
798.27490	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90673	1.3
65.03942	10.6
67.05521	1.7
92.20926	2.3
93.03423	7.5
97.02840	2.1
107.04977	1.8
110.03686	13.4
110.22079	1.8
111.04428	29.5
119.04875	2.0
121.02865	18.8
123.39842	1.5
125.05984	25.7
129.07043	2.3
131.04962	3.9
133.02853	2.5
133.06430	1.9
137.05998	9.1
147.04434	2.9
149.06039	2.3
151.07570	2.2
153.05458	100.0
159.08078	3.8
159.64854	1.6
161.05995	3.5
165.05499	2.2
165.42668	1.8
167.07018	19.8
169.68372	2.0
175.07590	7.9
181.08551	2.0
187.07574	3.5
216.07828	1.8
235.07643	3.3
239.10637	2.4
247.07542	2.0
247.09663	13.6
251.10759	6.9
253.08540	13.0
254.09320	2.5
265.08511	2.7
267.10220	7.7
269.11758	11.8
276.07712	3.3
277.08679	2.7
279.10098	3.4
281.11694	1.9
282.08896	8.0
294.08939	3.3
295.09741	2.8
297.11322	15.1
307.09573	9.8
309.11008	3.1
319.08463	3.5
320.09204	20.8
321.09857	2.2
322.80600	2.5
325.10672	57.4
325.14481	3.2
326.11325	2.5
327.12369	3.1
329.13544	1.8
334.10782	15.0
336.12231	27.0
339.12228	27.4
341.13742	12.1
352.15530	14.0
353.13925	2.5
355.11673	7.4
357.13281	56.2
369.13177	8.8
387.14441	15.9
434.89667	2.3
455.46423	2.2
502.76593	2.0
517.18439	3.0
535.19513	11.6
596.08783	2.0
798.32428	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
85.85099	0.3
92.20930	0.3
120.08291	0.3
149.22652	0.3
269.08093	0.4
290.08078	7.6
292.09641	3.5
296.29135	0.4
302.08148	2.2
304.05997	6.6
306.07678	0.6
308.09506	0.3
308.12878	1.4
318.07611	11.0
319.08371	38.5
320.09119	14.4
321.09933	12.9
322.09940	0.4
322.14291	0.3
334.10718	65.1
335.11084	4.7
336.12265	100.0
338.13782	0.6
347.99066	0.3
498.60901	0.4
798.26129	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	1.3
69.03434	1.1
69.07076	2.6
70.79982	1.1
81.07070	2.0
83.08607	1.3
85.02933	1.6
91.05460	1.6
93.07043	1.9
95.08614	3.1
104.26276	1.2
106.73009	1.4
107.08595	2.2
109.10178	5.4
121.10098	1.7
123.11770	2.0
131.05035	1.2
132.86839	1.6
135.11662	1.7
145.43114	1.2
163.03957	1.4
173.06023	1.6
187.11263	1.3
201.05492	5.6
203.10698	5.3
205.04993	2.4
207.06566	2.0
215.07365	1.3
215.10661	14.8
217.12303	6.3
219.06377	2.1
227.10707	2.1
229.08554	2.3
229.12311	1.9
231.10083	5.2
233.11780	7.8
243.10161	11.2
245.08069	1.2
245.11818	2.5
249.11172	6.8
257.15222	2.1
261.11188	14.4
263.12961	1.7
269.15384	7.0
271.16953	6.5
281.15189	4.7
287.16315	1.6
290.08243	12.4
299.16171	2.8
304.06006	12.0
307.08276	1.5
309.14670	1.7
315.15701	5.3
317.17474	42.1
317.20932	2.5
318.07602	19.4
319.08368	61.7
320.09119	27.7
321.09598	2.9
322.10641	5.2
327.15878	3.2
334.10742	100.0
335.10916	10.1
336.12155	17.1
337.12619	1.8
337.21613	2.8
338.13437	1.5
357.20831	1.5
361.15677	1.4
365.21231	2.4
369.20578	1.6
383.22177	22.7
385.95389	1.5
439.28348	6.5
469.21555	1.4
553.38593	1.5
653.08063	1.4
798.27563	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	8.0
67.05492	8.3
69.03452	8.5
69.07068	16.3
81.07065	48.5
83.15308	7.8
85.02911	17.1
93.07049	7.1
95.08613	35.1
96.21762	7.1
107.08628	11.2
109.10163	31.3
123.11682	13.0
135.11674	8.5
137.13272	11.4
149.06000	10.3
175.07600	9.6
177.05504	14.1
187.07570	9.6
189.09108	41.5
190.16409	7.0
201.09091	11.2
203.07295	7.5
213.09111	11.3
215.07132	17.8
215.10678	38.5
217.08501	7.0
219.06485	13.3
222.42883	7.5
233.08000	11.5
235.09685	51.3
243.10141	30.4
261.11139	17.1
269.15353	42.4
271.16861	35.2
281.15323	9.5
297.14783	16.2
299.16452	13.2
303.15927	12.2
309.14883	8.4
315.15680	56.3
316.16040	8.7
317.17441	47.1
319.08456	15.8
320.09113	40.9
334.10645	100.0
336.12234	16.0
357.20438	9.6
383.22116	44.0
393.27765	11.1
427.14804	8.6
439.28424	55.5
798.28595	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	1.3
69.03434	1.1
69.07076	2.6
70.79982	1.1
81.07070	2.0
83.08607	1.3
85.02933	1.6
91.05460	1.6
93.07043	1.9
95.08614	3.1
104.26276	1.2
106.73009	1.4
107.08595	2.2
109.10178	5.4
121.10098	1.7
123.11770	2.0
131.05035	1.2
132.86839	1.6
135.11662	1.7
145.43114	1.2
163.03957	1.4
173.06023	1.6
187.11263	1.3
201.05492	5.6
203.10698	5.3
205.04993	2.4
207.06566	2.0
215.07365	1.3
215.10661	14.8
217.12303	6.3
219.06377	2.1
227.10707	2.1
229.08554	2.3
229.12311	1.9
231.10083	5.2
233.11780	7.8
243.10161	11.2
245.08069	1.2
245.11818	2.5
249.11172	6.8
257.15222	2.1
261.11188	14.4
263.12961	1.7
269.15384	7.0
271.16953	6.5
281.15189	4.7
287.16315	1.6
290.08243	12.4
299.16171	2.8
304.06006	12.0
307.08276	1.5
309.14670	1.7
315.15701	5.3
317.17474	42.1
317.20932	2.5
318.07602	19.4
319.08368	61.7
320.09119	27.7
321.09598	2.9
322.10641	5.2
327.15878	3.2
334.10742	100.0
335.10916	10.1
336.12155	17.1
337.12619	1.8
337.21613	2.8
338.13437	1.5
357.20831	1.5
361.15677	1.4
365.21231	2.4
369.20578	1.6
383.22177	22.7
385.95389	1.5
439.28348	6.5
469.21555	1.4
553.38593	1.5
653.08063	1.4
798.27563	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	6.6
60.36602	1.0
67.27936	0.9
70.94609	1.0
71.07406	1.1
81.07013	0.9
86.09708	29.8
91.83663	1.0
97.70585	0.9
115.70746	1.1
119.45149	1.0
124.99996	12.8
130.82607	1.1
170.15062	1.0
171.09053	1.0
184.07343	100.0
198.41977	0.9
286.03076	1.1
287.96078	1.1
327.74213	1.2
350.02362	1.2
435.28235	1.1
504.20853	1.0
780.55176	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08177	5.8
60.61964	0.4
66.65419	0.5
71.07353	2.2
75.09003	0.5
76.51276	0.5
86.09707	27.1
98.98496	0.6
104.10756	2.3
104.86496	0.5
124.99999	12.0
184.07339	100.0
191.39880	0.5
298.03891	0.6
319.04068	0.6
369.96796	0.6
642.01965	0.6
780.55438	32.8
804.84027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60981	0.5
57.48384	0.5
59.87491	0.5
69.23814	0.6
77.83501	0.6
92.20964	1.0
228.37030	0.7
246.76465	0.7
290.08121	7.7
302.07956	2.6
304.06046	7.2
308.09055	1.0
318.07596	10.1
319.04642	1.4
319.08395	41.4
320.09167	5.1
322.10315	0.8
334.10727	100.0
335.10944	5.8
336.12088	0.7
337.12613	0.8
473.09882	0.8
501.54477	0.6
547.14282	0.8
759.80823	0.7
799.29626	18.1
812.96906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4093
Annotation	Phakellistatin 13
Peak:m/z	Relative Intensity
61.94446	0.9
63.51704	0.8
63.79411	1.0
69.07061	3.8
69.35737	0.8
71.04991	1.8
77.64878	1.0
81.07066	4.8
83.08627	1.4
85.02924	1.7
91.18119	0.8
92.21556	2.0
93.07047	1.7
95.08607	1.3
100.80364	0.9
107.08616	1.1
109.10163	8.8
121.10154	1.2
123.11688	1.2
127.11179	1.3
131.08664	1.0
133.10138	1.1
135.11665	4.3
136.82957	1.2
145.02879	1.6
149.05994	1.2
153.12749	8.9
161.05960	2.1
161.17949	1.2
163.03871	1.7
173.06038	1.1
175.11086	1.3
177.05458	5.8
191.07085	1.1
201.05554	3.9
201.09134	3.9
203.10725	1.4
205.05009	11.5
205.12202	5.7
213.09070	2.0
215.10658	13.7
217.12202	22.3
227.10817	1.3
229.08746	1.2
229.12260	4.7
231.10214	7.7
233.11694	15.2
234.11891	1.2
243.10167	19.6
243.13721	1.4
245.11938	1.6
249.11284	6.0
257.15311	2.2
261.11215	30.5
263.12723	1.3
267.93460	1.2
269.15430	2.0
271.14114	1.4
271.16806	10.2
273.18445	2.1
281.15317	1.8
287.16370	1.6
297.14697	1.2
299.16406	11.7
309.14941	1.7
317.17471	100.0
318.17764	3.8
319.08365	6.8
320.09125	24.3
321.09723	2.3
327.15833	3.7
334.10764	13.5
335.11115	4.4
336.12195	3.9
337.21564	2.1
343.22696	1.3
355.22592	4.6
370.10483	1.4
371.10919	1.4
383.22189	15.0
384.22641	8.2
393.27835	1.2
401.23215	14.4
421.27606	1.2
439.28546	5.3
525.16290	1.2
571.97339	1.1
789.06940	1.2
799.24194	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2969
Annotation	Haligramide B
Peak:m/z	Relative Intensity
57.03439	0.9
58.92465	0.8
69.03434	1.7
70.06606	1.8
81.03443	1.9
83.05000	1.2
85.02917	4.0
96.04501	8.7
97.02917	4.3
97.91755	0.9
98.06110	0.9
99.04481	1.9
107.04973	1.2
108.04464	1.0
122.06063	1.2
122.92692	0.8
126.05537	4.2
127.03972	1.2
136.07574	1.3
137.06046	0.8
140.07150	1.9
140.61441	0.8
144.06659	0.9
147.04442	1.7
149.06024	1.1
161.06004	2.0
162.05563	4.0
164.06995	1.1
167.07063	14.0
176.07086	2.0
177.05519	10.7
181.04970	1.9
187.03990	1.3
190.21660	0.9
194.08206	1.2
235.07530	11.0
249.05498	1.5
253.08716	4.7
258.25504	1.0
262.06390	2.1
263.07001	13.1
264.08176	0.9
267.06766	1.1
278.14221	1.0
279.06561	2.1
280.07452	3.3
281.08041	16.1
282.08896	1.0
284.06735	1.3
290.05957	1.9
291.06482	3.8
292.12149	1.0
295.06268	1.8
295.09729	3.7
298.08463	1.7
299.09195	5.4
304.10236	0.9
308.03693	1.0
308.06842	4.6
309.07523	11.2
309.10519	0.9
311.09326	1.4
313.10721	15.8
323.09103	31.0
324.09274	1.0
325.09830	1.6
326.07669	7.4
327.08493	9.8
330.13269	1.3
331.11969	1.1
338.10385	1.6
339.11392	2.2
340.12006	6.9
341.10202	43.7
341.14124	1.5
342.13486	3.5
358.12921	1.8
368.11349	1.1
370.13049	5.3
403.10696	2.0
408.14725	1.4
418.13260	1.4
420.14935	1.2
436.13916	19.0
448.14066	3.2
453.29962	1.1
466.14890	7.0
502.17355	2.2
620.21765	1.1
664.22485	1.3
716.25391	1.1
746.27594	1.3
764.27301	6.5
782.28491	31.6
800.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.92465	0.8
69.03434	1.7
70.06606	1.8
81.03443	1.9
83.05000	1.2
85.02917	4.0
96.04501	8.7
97.02917	4.3
97.91755	0.9
98.06110	0.9
99.04481	1.9
107.04973	1.2
108.04464	1.0
122.06063	1.2
122.92692	0.8
126.05537	4.2
127.03972	1.2
136.07574	1.3
137.06046	0.8
140.07150	1.9
140.61441	0.8
144.06659	0.9
147.04442	1.7
149.06024	1.1
161.06004	2.0
162.05563	4.0
164.06995	1.1
167.07063	14.0
176.07086	2.0
177.05519	10.7
181.04970	1.9
187.03990	1.3
190.21660	0.9
194.08206	1.2
235.07530	11.0
249.05498	1.5
253.08716	4.7
258.25504	1.0
262.06390	2.1
263.07001	13.1
264.08176	0.9
267.06766	1.1
278.14221	1.0
279.06561	2.1
280.07452	3.3
281.08041	16.1
282.08896	1.0
284.06735	1.3
290.05957	1.9
291.06482	3.8
292.12149	1.0
295.06268	1.8
295.09729	3.7
298.08463	1.7
299.09195	5.4
304.10236	0.9
308.03693	1.0
308.06842	4.6
309.07523	11.2
309.10519	0.9
311.09326	1.4
313.10721	15.8
323.09103	31.0
324.09274	1.0
325.09830	1.6
326.07669	7.4
327.08493	9.8
330.13269	1.3
331.11969	1.1
338.10385	1.6
339.11392	2.2
340.12006	6.9
341.10202	43.7
341.14124	1.5
342.13486	3.5
358.12921	1.8
368.11349	1.1
370.13049	5.3
403.10696	2.0
408.14725	1.4
418.13260	1.4
420.14935	1.2
436.13916	19.0
448.14066	3.2
453.29962	1.1
466.14890	7.0
502.17355	2.2
620.21765	1.1
664.22485	1.3
716.25391	1.1
746.27594	1.3
764.27301	6.5
782.28491	31.6
800.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	52.2
58.58760	0.5
62.88128	0.6
65.23322	0.5
67.09589	0.5
92.21563	1.3
105.29781	0.8
125.36499	0.6
127.49545	0.7
133.06485	0.9
142.90950	0.6
144.17363	0.7
151.07501	1.1
159.08028	1.1
161.05980	3.0
167.06992	8.7
175.07500	1.3
187.07523	1.1
188.56749	0.7
209.08150	0.8
225.82129	0.7
229.10136	1.0
243.08038	1.5
255.08531	0.9
257.09540	4.8
260.08353	6.4
261.09122	0.9
271.07376	5.1
273.09094	0.9
275.10681	19.3
277.08542	1.4
279.10260	0.7
281.11826	0.9
285.09018	4.3
288.07849	6.5
289.08517	1.5
290.08051	2.7
291.10217	1.2
294.08691	2.4
295.09479	1.5
297.11276	1.1
301.08563	1.1
302.09024	0.9
303.10132	23.1
304.06110	1.3
305.11697	1.1
307.09341	0.8
308.09290	0.9
309.11292	5.5
311.12714	1.0
317.11636	1.4
318.07529	2.7
319.08301	15.3
320.09149	7.9
321.10297	3.2
322.10754	1.3
329.48749	0.8
334.10696	28.2
335.11395	1.4
336.08621	1.3
336.12292	26.9
338.13965	0.9
339.12155	3.2
351.12048	0.7
512.16864	2.7
540.16364	8.1
794.25073	0.8
800.33337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57016	0.8
58.06606	53.2
83.77286	0.9
86.15752	0.9
110.72746	1.1
127.27065	1.0
156.66891	1.0
167.07103	4.8
179.59845	0.9
187.07454	1.4
209.08092	1.0
249.09116	1.0
263.75098	1.1
277.08597	18.9
278.09506	1.4
291.10184	1.2
294.08887	17.3
297.11417	1.5
303.10239	1.7
308.09753	1.6
309.11218	39.9
309.14703	1.6
311.12927	1.7
312.40002	1.0
314.11221	1.2
318.07474	1.1
319.08737	5.1
320.09293	6.8
321.11157	2.3
325.10886	1.6
334.10815	14.3
336.12485	4.8
348.80594	1.0
355.94427	1.1
496.31696	1.1
800.32935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69069	0.3
57.04491	0.3
58.02398	0.3
97.02847	0.4
102.34435	0.3
103.23871	0.3
110.16759	0.3
158.25932	0.3
182.01341	0.3
215.53781	0.4
250.13557	0.3
257.06308	0.3
285.07571	0.6
292.09662	7.7
294.23010	0.3
303.08923	0.4
304.09674	1.2
306.07590	1.8
319.08261	0.8
320.09177	10.0
321.09955	27.6
334.10809	2.9
336.12286	100.0
337.12662	1.5
338.13101	0.4
352.15561	0.7
368.25989	0.3
386.26541	0.5
460.30307	0.5
462.99408	0.4
552.35217	1.2
638.38806	1.4
684.73358	0.4
800.34399	37.2
801.77142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79757	0.2
67.86370	0.3
89.83225	0.3
93.77122	0.3
94.03133	0.3
98.64126	0.3
111.85805	0.3
176.06995	0.3
215.27031	0.3
286.08139	0.3
292.09659	5.9
304.09653	1.0
306.07492	2.0
319.08231	1.1
320.05487	0.5
320.09195	11.2
321.09961	26.9
322.10287	0.3
334.10645	3.1
336.12292	100.0
337.12695	0.6
352.15182	1.1
589.93030	0.3
638.29620	0.5
800.34967	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12698	0.8
74.86509	0.9
144.78012	1.1
156.31929	1.0
206.56645	1.0
279.64761	1.0
292.09875	6.0
305.21094	1.0
306.07971	1.2
320.09164	100.0
321.09949	20.9
334.11060	4.8
336.12292	78.4
337.12851	1.2
543.06348	1.2
616.57593	1.1
799.69977	1.3
800.35101	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12698	0.8
74.86509	0.9
144.78012	1.1
156.31929	1.0
206.56645	1.0
279.64761	1.0
292.09875	6.0
305.21094	1.0
306.07971	1.2
320.09164	100.0
321.09949	20.9
334.11060	4.8
336.12292	78.4
337.12851	1.2
543.06348	1.2
616.57593	1.1
799.69977	1.3
800.35101	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	12.1
69.07062	6.8
76.04102	6.6
76.70905	5.8
78.79453	5.6
79.05515	9.8
81.07055	15.9
87.40169	6.0
91.05489	9.8
93.07031	14.4
95.08582	12.1
105.06978	8.1
107.08560	7.0
119.08620	12.0
133.10132	9.1
137.05977	100.0
151.07571	30.6
163.07532	43.0
167.11491	6.5
171.07967	10.8
175.07579	8.8
177.09094	29.7
179.13815	7.0
422.71796	6.7
427.54767	6.5
467.31522	12.3
591.36554	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05545	8.6
81.07086	12.1
91.05501	11.5
93.07027	11.8
95.08582	8.3
102.84781	8.2
105.07040	14.4
119.08610	7.5
127.42988	7.5
137.05997	99.8
149.44229	9.4
151.07539	56.3
157.06310	8.0
159.08070	13.5
163.07541	17.5
175.07516	9.0
229.54616	9.6
391.48654	9.2
446.81488	9.4
467.31293	9.5
591.36560	100.0
784.38275	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
73.61374	2.1
74.17730	1.9
80.21311	2.6
94.09112	2.0
120.50340	2.6
122.67006	2.0
135.61977	2.3
158.00493	2.2
164.62875	2.0
300.28976	2.5
334.10599	3.3
335.11078	3.1
382.78500	2.6
420.03845	91.5
435.06247	57.0
438.04987	100.0
450.08575	24.3
453.07315	13.3
468.09711	41.7
801.19421	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60122	0.3
64.98218	0.3
73.20193	0.3
92.20842	0.4
169.01675	0.3
171.50829	0.3
193.24324	0.3
248.54549	0.3
256.11508	0.3
262.47632	0.3
276.06723	0.3
290.08096	12.6
293.00253	0.3
302.08139	3.2
304.06000	10.8
318.07617	14.3
319.08383	59.7
320.09146	1.7
334.10724	100.0
335.10571	0.4
336.12122	0.6
775.21960	0.4
802.23389	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00523	1.0
68.10843	1.1
95.23225	1.1
109.92351	1.1
112.22503	1.3
148.29068	1.3
170.44528	1.2
170.65399	1.6
205.30766	1.3
232.09741	1.7
266.38916	1.1
287.46381	1.7
292.09628	1.5
320.09326	1.7
321.10068	2.4
325.96060	1.2
334.10797	2.2
336.12338	15.2
362.10306	2.4
363.10617	1.4
464.11905	2.0
474.10129	1.4
511.18835	1.9
521.16974	4.7
537.20166	10.5
539.17969	2.4
555.21399	1.7
652.17535	1.6
653.14801	1.4
682.21881	2.1
696.23346	8.9
698.21118	1.6
704.26257	1.4
708.23456	2.1
710.21521	6.9
714.24548	2.1
724.23004	7.5
726.21661	1.6
740.25568	9.0
742.23834	2.7
802.25952	100.0
802.39142	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42413	0.5
61.02942	1.3
73.02927	0.6
83.12563	0.6
85.02914	1.2
99.04449	0.7
103.05447	0.7
119.42622	0.6
135.04494	0.6
148.07614	1.2
149.06003	9.3
161.04794	0.7
161.06053	3.3
162.79175	0.6
163.07506	0.7
176.07062	100.0
178.08618	12.9
229.12241	1.2
255.10297	3.8
255.13954	0.7
271.09778	1.3
281.11743	1.1
292.09747	1.3
295.17117	1.3
296.17645	0.8
319.08661	0.9
320.09283	2.7
321.09906	6.1
322.10248	0.9
334.10681	4.1
336.12305	21.6
337.12784	3.6
338.13156	1.1
341.61588	0.6
355.19235	3.1
365.17645	0.9
383.18860	1.1
403.80002	0.7
587.06848	0.6
640.31879	1.2
693.05811	0.7
802.36493	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96472	0.5
61.02932	0.8
69.03419	3.3
71.04993	0.9
79.05483	2.2
81.03424	11.3
85.02899	6.9
88.71910	0.5
91.05477	2.6
91.62299	0.5
92.20996	0.9
93.07039	8.1
95.05005	0.8
97.02898	5.3
99.04451	100.0
103.05443	0.8
105.04533	0.8
105.07024	13.3
107.08591	10.8
109.02885	3.9
109.10146	0.6
115.05437	2.7
117.05476	9.6
127.03932	4.8
133.06488	20.2
135.11693	4.6
143.06018	1.2
145.04968	3.1
161.05966	45.0
165.09143	1.1
167.07034	0.8
193.08592	37.3
207.79704	0.5
234.23335	0.5
243.08595	2.8
261.09692	14.6
290.07990	0.9
308.69040	0.5
318.07614	1.1
319.08331	4.7
320.08884	4.3
322.10736	1.1
327.19595	0.9
334.10687	13.7
335.11026	1.3
336.12277	2.0
338.13721	2.3
338.32205	0.6
387.12796	0.8
405.14014	0.9
423.14822	5.4
613.37994	0.6
802.27051	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	16.4
57.07076	2.7
64.92960	1.9
65.32336	2.0
67.05512	50.6
69.07073	44.7
79.05497	15.0
81.07062	69.0
81.99677	1.9
82.23937	1.9
83.08625	22.0
85.02919	2.8
91.05472	4.9
93.07041	13.9
95.04950	4.9
95.08607	58.4
97.06520	3.3
97.10168	14.7
105.07027	8.8
106.06588	7.1
107.08596	11.9
109.10155	27.9
111.08065	3.7
111.11725	3.9
114.74316	2.4
119.08578	9.4
121.10120	9.2
122.06010	29.6
123.11725	12.5
133.10152	12.1
135.11688	10.1
137.13339	2.3
140.07083	2.3
147.11690	3.2
149.13248	2.5
152.07118	8.8
161.13190	3.4
188.09180	5.3
195.23680	2.1
220.03683	79.8
250.04741	9.1
263.23816	2.2
286.06946	4.5
334.10806	2.4
337.27328	100.0
368.80893	2.3
430.11118	9.8
447.84537	2.4
448.12024	11.9
466.13516	17.3
478.28879	3.6
484.41049	2.2
556.30396	48.6
586.31311	9.4
604.31989	5.2
766.36884	11.5
784.38220	8.6
802.39929	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	5.5
57.03444	3.8
60.58242	2.5
66.77778	2.4
67.05203	3.4
67.05507	32.2
69.07053	19.6
74.06092	4.6
79.05500	15.5
80.05035	2.8
81.07058	30.7
83.08627	5.7
85.06577	2.9
91.04856	2.3
91.05476	4.9
93.07045	13.9
94.06581	3.3
95.04963	6.4
95.08602	34.6
97.02905	2.9
105.07050	4.7
106.06572	4.5
107.08589	11.6
109.10133	12.8
114.40724	2.4
119.08592	5.6
121.10142	11.7
122.06023	82.3
123.11730	5.3
125.68774	2.7
127.03941	2.9
134.05997	4.2
140.07053	45.5
145.40282	2.5
147.11700	5.0
149.13225	3.8
152.07027	19.9
170.08101	14.2
188.09190	23.2
220.03699	21.4
272.26147	2.8
276.06216	5.1
291.31680	3.4
334.10666	4.8
336.12155	3.3
337.27396	54.6
478.29303	4.7
480.37762	3.3
538.29065	12.6
556.30286	100.0
566.75702	3.1
586.30945	13.5
604.32324	9.5
640.33801	3.7
703.26801	3.0
766.37231	11.8
784.38171	11.0
802.39868	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15569	1.6
61.72172	1.4
62.05825	1.5
67.05519	17.1
69.07080	3.0
73.96561	1.9
74.67026	1.6
76.94542	1.6
79.05498	8.3
81.07070	17.6
83.08620	3.3
84.44154	2.0
85.02946	2.8
91.05476	3.9
92.93800	1.8
93.07037	9.6
95.08621	16.8
97.10200	1.7
105.07024	3.6
107.08569	8.4
108.82021	2.3
109.10144	7.8
112.71996	1.7
119.04878	2.1
119.08552	7.4
121.10152	10.1
131.04936	3.7
131.08557	4.4
133.06546	3.1
133.10152	3.2
135.11713	2.9
137.05981	100.0
145.06485	2.1
147.07993	3.5
151.03917	1.7
151.07542	34.1
157.06564	2.3
163.07513	14.4
165.09122	6.7
171.08096	3.5
172.45506	2.3
173.13196	1.7
174.06728	2.2
175.07536	3.2
177.09106	14.4
189.09138	15.7
191.10641	11.1
201.09084	7.0
203.10666	4.5
221.06090	2.9
221.09773	3.1
253.08696	2.8
253.12177	6.8
261.22137	4.4
265.55435	1.8
266.81860	2.2
279.03998	2.2
285.11151	4.5
313.14227	9.7
469.32925	27.6
561.35693	2.0
593.38458	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60434	1.5
66.48618	1.5
67.05519	13.6
69.07056	3.9
71.04999	1.9
71.08633	21.6
75.59382	1.4
79.05494	14.9
79.60469	1.6
80.33579	1.6
81.07066	23.2
83.04948	2.1
83.08623	7.9
87.68354	1.9
91.05470	7.3
93.07035	24.3
95.08599	11.3
99.08106	19.0
105.07035	6.8
107.04992	2.0
107.08595	18.1
108.63214	1.9
109.10140	7.9
114.73393	1.8
119.08594	7.1
121.10155	12.3
122.08044	1.7
133.10121	7.8
135.11693	23.6
137.09656	2.2
140.53084	1.8
143.31865	2.0
147.11760	2.9
149.13208	3.3
151.11182	8.5
161.13280	10.2
163.11191	2.4
179.14296	62.4
179.15863	2.8
212.59357	2.6
277.21634	15.0
329.66415	1.9
351.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49719	0.7
78.37135	0.7
85.02903	3.3
92.21515	1.2
103.58130	0.7
130.96227	0.7
244.05455	0.6
290.08197	9.2
302.08032	3.0
304.06012	10.4
318.07642	14.4
319.08389	51.3
320.09195	0.8
327.08789	2.9
334.10724	100.0
340.06018	3.7
342.07709	0.8
355.08353	6.5
356.09073	1.1
357.06244	1.0
358.06955	6.4
359.07501	1.0
360.08755	9.5
366.07623	1.3
367.08362	0.8
370.07037	4.0
371.07687	0.8
372.08667	5.9
374.10434	2.1
382.07047	3.4
383.07855	12.2
384.08685	25.5
385.09708	1.0
386.06815	1.5
386.10245	7.3
388.08063	1.3
393.06247	1.2
396.04813	2.8
398.06042	1.0
398.10632	2.2
410.06482	1.3
411.07379	19.5
414.06219	5.1
416.07367	8.2
418.12823	16.4
426.09717	46.7
429.08508	0.9
444.10767	16.1
606.16156	0.8
804.21246	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11003	0.3
73.83116	0.4
112.31286	0.4
197.96747	0.5
219.73561	0.5
219.76598	0.5
272.66281	0.5
276.06393	0.7
290.08047	10.5
292.09637	2.8
302.08185	3.5
304.06036	10.2
306.07590	2.3
318.07617	15.2
319.08377	53.3
320.09149	94.9
321.09549	0.9
334.10709	100.0
335.07773	6.2
335.11313	2.6
336.12131	3.9
350.10199	15.8
350.13956	2.5
804.27551	45.5
829.23511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71571	0.4
173.30316	0.5
194.96176	0.5
199.82167	0.4
278.08035	0.8
279.08920	0.7
290.08020	3.1
294.07684	0.7
304.06061	2.3
306.04330	0.8
306.07639	15.7
306.11203	0.7
318.07550	7.0
319.08359	17.8
320.05450	6.4
320.09125	5.6
321.09515	0.8
322.10645	0.5
334.07013	6.5
334.10675	36.2
335.07855	43.2
335.10913	2.0
336.12073	2.9
338.14087	0.6
350.10217	100.0
372.12332	0.7
431.67740	0.5
452.11868	0.6
544.53156	0.5
613.66437	0.5
624.17310	6.5
635.53790	0.4
702.10516	0.4
804.24268	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11003	0.3
73.83116	0.4
112.31286	0.4
197.96747	0.5
219.73561	0.5
219.76598	0.5
272.66281	0.5
276.06393	0.7
290.08047	10.5
292.09637	2.8
302.08185	3.5
304.06036	10.2
306.07590	2.3
318.07617	15.2
319.08377	53.3
320.09149	94.9
321.09549	0.9
334.10709	100.0
335.07773	6.2
335.11313	2.6
336.12131	3.9
350.10199	15.8
350.13956	2.5
804.27551	45.5
829.23511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
76.74652	0.6
96.22170	0.7
125.45814	0.7
137.06071	0.6
191.66805	0.7
230.47202	0.7
267.10776	0.6
278.50323	0.7
290.08087	5.5
301.99438	0.7
304.06027	4.4
318.07559	8.1
319.04681	1.6
319.08398	39.8
320.09152	8.2
321.09613	1.0
323.11462	0.8
334.10730	100.0
336.12460	2.4
338.10461	3.0
386.10248	1.1
416.70010	0.7
455.40091	0.7
515.21936	0.7
540.16504	2.7
558.17975	0.7
613.34985	0.8
706.21942	0.8
780.33820	0.7
804.28552	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76154	0.5
64.06882	0.5
72.84313	0.5
127.69627	0.6
174.05324	0.9
177.05464	0.7
207.06569	1.0
290.08060	8.8
302.08197	3.3
304.06052	9.0
318.07556	12.7
319.04898	1.0
319.08383	52.7
320.09003	5.4
334.10727	100.0
336.12268	0.8
367.11758	1.1
386.10376	4.5
404.11444	0.8
678.72845	0.6
804.28577	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56942	0.3
87.52403	0.3
139.87218	0.3
144.98962	0.3
149.94875	0.3
279.62402	0.3
290.08109	9.5
302.08154	2.9
304.06033	9.4
304.09503	0.5
316.06598	0.3
318.07581	12.7
319.08371	51.2
320.08932	1.4
334.10709	100.0
335.11023	0.4
336.12006	0.7
343.03632	0.4
804.28387	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47269	0.4
59.52017	0.4
104.09153	0.4
116.39241	0.5
276.06482	0.5
290.08090	9.3
302.08087	3.2
304.06107	9.6
318.07642	10.8
319.08420	57.1
320.09125	1.6
334.10742	100.0
804.28625	39.7
826.96570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01294	0.4
62.12092	0.4
62.58913	0.4
76.77818	0.4
86.87405	0.4
154.61671	0.4
195.37207	0.4
212.03680	0.4
216.51285	0.4
219.21970	0.5
290.08118	8.8
302.08160	2.5
304.06079	8.2
318.07614	12.5
319.08411	53.7
334.10745	100.0
804.28607	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23499	0.2
90.04605	0.3
90.14469	0.2
92.20878	0.2
97.54993	0.2
107.52906	0.2
144.14758	0.3
236.28934	0.3
276.06451	1.0
290.05029	0.4
290.08118	10.0
302.08017	2.9
303.08875	0.3
303.35364	0.3
304.06055	9.9
318.03888	0.3
318.07611	12.4
319.08389	52.8
320.09018	0.4
334.10730	100.0
340.06195	0.6
355.08463	1.2
358.07120	0.6
359.07852	0.3
360.08698	1.5
369.56824	0.3
372.08548	0.6
374.10629	0.4
383.07932	1.8
384.08755	3.6
386.10367	1.3
396.05234	0.4
400.12311	0.4
411.07443	3.2
416.07709	0.6
418.12949	2.4
426.09702	6.0
444.11075	1.8
804.29913	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24050	0.3
66.21484	0.4
74.83514	0.4
92.21571	0.4
98.88425	0.4
105.54286	0.3
107.12831	0.4
128.53419	0.4
148.55814	0.5
202.81099	0.4
245.44829	0.5
276.06531	0.7
290.08182	10.2
302.08154	2.9
304.06015	8.3
318.07578	9.4
319.08405	55.9
320.09219	1.9
334.10739	100.0
336.12149	0.6
360.66403	0.4
386.10034	0.6
804.28619	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18479	0.3
80.52748	0.3
149.47894	0.3
174.05493	1.5
267.03372	0.3
276.06485	0.5
290.08075	9.8
302.08240	3.3
304.06030	9.1
318.07593	13.4
319.08377	54.0
320.09009	0.7
334.10715	100.0
342.07614	0.8
343.08389	2.0
352.09119	0.5
358.10687	0.7
367.11841	1.8
370.07138	0.4
371.07858	0.4
386.10254	5.7
404.11035	0.5
540.16473	0.8
804.28601	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00843	0.4
62.24937	0.3
69.03028	0.3
74.77327	0.3
87.27256	0.3
89.28846	0.3
137.68048	0.3
178.40376	0.3
290.08096	9.8
291.26797	0.4
297.65927	0.3
302.08038	2.8
304.06030	7.6
306.92667	0.4
318.07605	11.9
319.08368	51.1
334.10715	100.0
391.44995	0.4
474.17828	0.5
716.90479	0.4
804.28577	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06688	0.3
60.49094	0.3
63.54471	0.4
64.87792	0.3
66.48997	0.3
70.85415	0.3
71.17588	0.3
73.35716	0.3
76.39450	0.4
76.47623	0.3
77.22025	0.3
82.92757	0.3
83.69358	0.4
93.43008	0.3
116.44161	0.4
157.34692	0.4
196.97266	0.3
220.86996	0.4
241.00580	0.4
247.53114	0.5
290.08090	11.3
302.08008	2.7
304.06058	9.1
318.07593	12.3
319.08389	53.2
320.09027	2.4
320.24313	0.4
334.10733	100.0
335.10992	0.7
336.12061	1.7
487.72260	0.4
804.28595	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03556	0.3
69.03391	0.6
71.04962	0.4
79.05472	0.3
81.03419	4.3
82.03678	0.4
85.02891	2.8
91.05417	0.5
93.07036	2.4
95.04948	0.4
97.02812	2.1
99.04443	38.7
100.04774	3.5
105.06956	2.1
107.08577	4.8
108.08894	0.4
109.02835	1.3
117.05473	3.3
127.03859	1.9
133.06471	2.5
134.06758	0.8
135.11656	0.9
145.04919	0.7
161.05972	5.7
162.06305	2.5
167.06956	0.8
181.08513	1.8
193.08586	4.5
194.08849	1.9
195.09048	0.6
225.11008	0.4
243.08598	1.4
261.09695	5.3
262.09970	0.6
276.06439	0.5
290.08112	7.3
302.07993	1.8
304.06006	7.5
318.07578	11.9
319.08340	47.4
320.09012	3.0
334.10681	100.0
335.11053	1.6
336.12064	0.4
341.75214	0.4
419.73688	0.4
423.14874	2.3
555.87531	0.4
621.00952	0.4
625.22998	0.6
804.28363	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.5
63.75834	0.3
116.25372	0.3
149.06390	0.3
164.87178	0.4
276.06366	0.4
290.08096	7.9
297.04034	0.3
302.08209	2.4
303.08792	0.3
304.06015	8.4
318.04086	0.4
318.07617	11.0
319.08386	50.7
320.09140	7.6
334.10721	100.0
334.40292	0.3
335.11044	0.5
506.61200	0.3
746.63275	0.4
751.58691	0.4
804.28583	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23132	1.8
63.60167	1.6
93.03392	2.6
97.02894	100.0
110.03259	2.1
121.06526	2.2
135.27336	2.2
137.05984	74.6
149.02347	4.8
161.05954	4.5
167.03392	32.0
173.06000	4.3
177.05426	2.6
199.64644	2.2
201.05473	52.0
204.04166	9.0
207.06598	3.3
213.05374	3.5
217.62564	2.4
219.06554	20.8
231.06456	8.7
233.05872	2.6
233.07948	2.7
263.06787	2.7
265.08502	3.3
269.08316	3.5
272.10361	2.7
277.08569	14.2
287.07175	3.1
290.05429	17.2
290.08405	5.3
293.08093	11.3
295.09711	3.6
303.11786	2.2
304.06210	4.5
305.08051	74.0
307.09598	15.7
309.11182	4.6
318.07617	11.2
319.08414	38.2
320.09186	30.5
322.08304	2.9
325.10803	23.1
334.10693	75.2
337.10736	40.5
355.11786	60.5
381.73340	2.4
393.13199	3.1
421.12634	2.6
433.12668	4.2
439.13855	33.8
451.13507	15.2
457.14639	4.0
469.14905	27.5
487.16052	17.7
523.44543	2.6
649.21631	2.8
741.61078	2.4
804.28680	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.359
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05868	0.3
73.32167	0.3
74.94043	0.3
75.22556	0.3
75.30258	0.3
77.33128	0.4
84.97887	0.3
88.68082	0.3
98.00687	0.3
103.03716	0.3
214.16432	0.4
256.80588	0.4
292.09671	2.8
319.08487	1.2
320.09167	100.0
334.10773	2.2
336.12262	0.8
338.13446	0.5
757.29272	0.4
804.35925	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59994	0.2
69.51760	0.2
85.76662	0.2
108.66575	0.3
163.77873	0.2
273.08151	0.3
290.08069	7.4
290.94974	0.2
302.08099	2.1
304.05991	7.0
318.07587	10.7
319.08365	49.6
320.09171	2.9
321.09860	2.0
322.10684	0.5
334.10712	100.0
335.11014	0.6
336.12308	8.7
352.15201	0.3
372.12335	1.4
418.12646	0.3
464.13235	1.0
788.25177	0.3
806.22949	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59994	0.2
69.51760	0.2
85.76662	0.2
108.66575	0.3
163.77873	0.2
273.08151	0.3
290.08069	7.4
290.94974	0.2
302.08099	2.1
304.05991	7.0
318.07587	10.7
319.08365	49.6
320.09171	2.9
321.09860	2.0
322.10684	0.5
334.10712	100.0
335.11014	0.6
336.12308	8.7
352.15201	0.3
372.12335	1.4
418.12646	0.3
464.13235	1.0
788.25177	0.3
806.22949	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48675	0.1
65.52520	0.1
72.69455	0.1
77.61687	0.2
82.42761	0.1
114.30247	0.1
159.11803	0.1
174.83818	0.1
188.03387	0.5
203.54221	0.1
273.07813	0.2
276.06635	0.2
289.07410	0.2
290.08075	7.9
302.08130	2.1
303.08954	0.2
304.06012	6.7
304.09479	0.2
318.03802	0.2
318.07593	9.9
319.08365	52.0
320.09012	0.7
334.10703	100.0
357.09943	0.5
360.12317	1.0
372.12384	1.5
374.13974	0.3
388.11722	0.2
393.13870	0.1
404.11249	0.2
418.12747	0.6
446.12167	0.2
464.13287	0.2
599.15326	0.1
662.74744	0.1
806.22839	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
95.86980	0.1
100.33779	0.1
124.54484	0.2
126.55319	0.1
207.34262	0.1
238.92651	0.1
248.89413	0.1
276.06308	0.2
290.08099	7.5
290.11334	0.3
302.08179	2.0
303.08636	0.2
304.05991	6.6
304.50873	0.1
306.51941	0.1
318.07602	7.9
319.08368	48.3
334.10709	100.0
336.12213	0.3
372.12228	1.5
388.29218	0.2
400.11362	0.2
418.12888	0.3
464.13242	0.6
561.13800	0.2
608.17572	2.4
806.22864	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.5
59.27663	1.0
81.14441	1.0
85.02903	2.6
88.26883	1.0
91.05501	1.2
97.02881	1.6
119.04885	2.2
131.04932	1.5
147.04404	30.0
153.05435	1.8
167.07018	4.5
168.07274	1.2
179.07027	5.4
183.06346	3.8
186.22644	1.3
190.05046	1.8
197.33670	1.3
205.04909	1.2
207.06544	2.0
254.08063	2.6
290.08051	1.4
307.08469	1.9
318.07590	4.8
319.08301	14.5
320.09042	20.1
321.09427	6.9
322.10449	2.4
334.10712	30.1
335.11096	11.5
336.12009	17.5
336.99753	1.1
352.15356	2.1
360.08533	16.3
370.10684	1.6
372.12491	1.4
374.10043	2.0
386.14084	1.6
388.11777	1.5
396.12228	12.6
398.13934	2.0
404.14960	9.6
414.13470	22.5
418.16278	2.7
430.79330	1.3
496.13904	2.0
512.13269	2.5
528.16541	18.3
532.17804	4.4
536.16821	5.3
536.75592	1.3
550.18439	13.7
564.19867	2.1
582.21008	28.8
644.21625	1.3
690.22015	10.1
744.26154	8.7
788.25238	6.5
806.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
151.35506	0.2
158.08527	0.3
276.06580	0.3
277.07407	0.3
284.28885	0.2
290.08148	5.7
292.09665	3.5
294.11118	0.6
302.08029	1.4
304.06018	5.0
304.09235	0.4
305.06613	0.3
310.26099	0.3
318.07565	7.9
319.08383	30.1
320.09158	100.0
321.09601	3.0
322.09775	0.4
334.10727	55.4
335.11252	4.4
336.12256	19.5
667.99945	0.3
768.07336	0.3
790.27179	0.3
806.28992	31.5
827.54999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.5
59.27663	1.0
81.14441	1.0
85.02903	2.6
88.26883	1.0
91.05501	1.2
97.02881	1.6
119.04885	2.2
131.04932	1.5
147.04404	30.0
153.05435	1.8
167.07018	4.5
168.07274	1.2
179.07027	5.4
183.06346	3.8
186.22644	1.3
190.05046	1.8
197.33670	1.3
205.04909	1.2
207.06544	2.0
254.08063	2.6
290.08051	1.4
307.08469	1.9
318.07590	4.8
319.08301	14.5
320.09042	20.1
321.09427	6.9
322.10449	2.4
334.10712	30.1
335.11096	11.5
336.12009	17.5
336.99753	1.1
352.15356	2.1
360.08533	16.3
370.10684	1.6
372.12491	1.4
374.10043	2.0
386.14084	1.6
388.11777	1.5
396.12228	12.6
398.13934	2.0
404.14960	9.6
414.13470	22.5
418.16278	2.7
430.79330	1.3
496.13904	2.0
512.13269	2.5
528.16541	18.3
532.17804	4.4
536.16821	5.3
536.75592	1.3
550.18439	13.7
564.19867	2.1
582.21008	28.8
644.21625	1.3
690.22015	10.1
744.26154	8.7
788.25238	6.5
806.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70529	0.5
78.70110	0.7
81.37277	0.6
121.44524	0.8
175.77908	0.9
180.24918	0.8
290.08176	10.1
292.09833	1.3
294.11255	4.7
302.08136	3.3
304.05981	9.5
306.07645	0.9
318.07565	12.1
319.08383	51.4
320.09137	34.3
320.12738	1.5
321.09879	5.3
334.10730	100.0
335.11331	4.9
336.12299	20.6
345.22174	0.9
806.27112	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70529	0.5
78.70110	0.7
81.37277	0.6
121.44524	0.8
175.77908	0.9
180.24918	0.8
290.08176	10.1
292.09833	1.3
294.11255	4.7
302.08136	3.3
304.05981	9.5
306.07645	0.9
318.07565	12.1
319.08383	51.4
320.09137	34.3
320.12738	1.5
321.09879	5.3
334.10730	100.0
335.11331	4.9
336.12299	20.6
345.22174	0.9
806.27112	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
88.47692	0.2
105.07009	0.8
108.14914	0.2
115.07577	0.2
130.13895	0.3
148.43646	0.2
167.06949	0.3
278.08252	0.3
290.08099	0.6
291.08505	0.4
292.09628	8.8
295.35321	0.2
304.09610	1.3
305.06418	0.4
305.10556	0.3
306.07605	2.9
318.07422	0.9
319.08310	4.3
320.09106	12.7
321.09930	31.3
322.10461	0.4
334.10730	7.0
335.11044	4.0
336.12268	100.0
337.12619	0.4
390.87729	0.2
474.33154	0.3
806.29901	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95216	0.1
90.10309	0.2
129.93640	0.2
184.75931	0.2
288.97510	0.2
290.08047	0.9
294.11206	0.6
304.06107	0.3
306.07584	0.2
307.08392	0.3
308.12762	11.5
318.07660	0.9
319.08359	4.5
320.09039	2.6
320.12805	2.1
321.09460	0.8
322.10706	8.8
322.14621	0.2
323.11429	0.4
331.18893	0.2
334.10706	9.6
335.11041	0.8
336.12274	17.9
337.13049	30.4
350.10260	0.4
352.15411	100.0
431.54428	0.2
510.43097	0.2
550.65204	0.2
664.57886	0.2
806.30066	14.8
806.75653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06567	0.3
58.64637	0.2
65.49027	0.3
77.21451	0.3
96.42677	0.2
97.02816	0.4
147.30687	0.3
153.54402	0.3
177.05438	1.3
215.23439	0.3
288.70554	0.3
292.09683	9.6
304.06348	0.3
304.09613	1.7
306.07611	2.8
318.07669	0.6
319.08054	2.2
320.09146	13.6
321.09933	33.0
322.10376	0.6
334.10645	4.9
335.11017	3.7
336.12271	100.0
338.13052	0.3
351.56085	0.3
357.66312	0.3
440.96088	0.3
663.18457	0.3
806.29999	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06568	0.6
91.05431	0.5
93.27845	0.4
97.02909	3.0
113.65324	0.4
116.29265	0.4
119.04945	0.5
131.49422	0.4
133.02800	0.7
137.05945	2.0
145.02855	4.3
147.04439	0.5
149.05913	0.5
167.03401	1.8
175.03883	0.6
177.05463	9.9
201.05460	0.8
207.06485	0.5
213.05322	0.6
219.06551	0.6
227.06815	0.4
245.08061	1.8
259.55469	0.4
290.08054	0.9
291.08542	0.8
292.09656	9.6
304.06277	0.6
304.09619	1.8
306.07394	2.6
318.07663	0.6
319.08356	5.3
320.09122	20.4
321.09952	30.5
334.10797	7.6
335.11200	5.3
336.12296	100.0
337.12897	0.7
340.80222	0.5
355.11951	0.9
373.13007	0.7
439.13660	0.7
487.15762	0.5
505.16754	0.5
543.75958	0.4
805.96185	0.5
806.29913	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85426	0.2
58.65245	0.2
61.65511	0.3
75.93618	0.3
92.37459	0.3
107.45926	0.3
113.03761	0.3
114.15280	0.3
115.06214	0.3
138.08215	0.3
165.19730	0.3
175.03830	0.4
177.05415	0.6
203.63647	0.3
225.88841	0.3
262.90210	0.3
290.08292	0.4
291.08533	0.5
292.09601	3.0
305.06857	0.6
306.07632	0.6
308.09155	1.5
308.12628	0.7
319.08350	2.6
320.09137	27.8
321.09888	9.0
322.09979	0.4
334.10724	5.6
335.11423	8.1
336.12274	100.0
498.15231	0.4
521.91962	0.4
526.15033	0.4
546.21082	0.7
560.19171	0.7
806.30035	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18868	0.4
62.11669	0.4
66.49650	0.5
67.28803	0.5
92.21474	0.6
107.32851	0.4
108.37885	0.5
146.89755	0.5
156.01918	0.5
169.19412	0.5
184.00989	0.6
212.10350	0.5
223.29179	0.6
242.05748	1.0
246.43585	0.5
254.33678	0.5
285.07727	1.0
292.09705	3.9
294.07684	0.6
304.09860	0.6
308.09274	0.9
319.08612	2.3
320.09174	10.2
321.09955	9.6
322.07147	0.6
322.10690	1.0
324.08820	0.6
324.12421	2.1
334.10703	6.5
335.11227	2.9
336.12283	57.6
337.13046	1.1
338.10300	1.0
338.14059	0.8
339.11029	1.2
339.82077	0.5
350.14029	3.2
352.11948	2.3
419.92123	0.5
468.14999	0.7
498.11551	0.7
512.13232	0.8
516.16772	0.9
528.17206	0.6
530.14960	1.2
544.16199	6.0
546.17572	0.7
560.19092	5.3
662.18860	3.9
674.18494	2.1
676.20264	9.1
688.20172	4.4
690.18201	8.4
704.19879	10.9
705.20551	3.2
720.22754	10.1
746.25159	0.9
748.27197	0.9
756.43494	0.6
760.25720	1.3
762.27405	2.2
774.27924	1.1
776.26031	5.3
790.27374	3.7
806.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79949	0.4
91.07847	0.4
107.75383	0.4
110.83726	0.4
142.19652	0.3
292.09634	4.1
296.70157	0.4
304.06049	0.5
306.07477	0.5
308.09320	1.2
308.12628	0.9
318.07849	0.5
319.08365	3.2
320.09097	12.7
321.09943	11.2
334.10718	5.6
335.11191	3.9
336.12283	100.0
373.35269	0.5
486.15091	0.7
500.17273	1.5
501.17499	0.8
512.13641	0.9
516.19836	0.8
544.15985	1.6
545.16406	0.6
560.19116	1.8
776.25287	0.8
790.26508	0.8
806.30060	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68729	0.4
77.85784	0.5
87.68526	0.6
122.07674	0.5
167.09796	0.6
290.08215	0.9
292.09531	1.3
304.09854	0.7
319.08270	4.6
320.09067	11.8
320.12759	1.9
321.09811	7.5
323.11398	1.0
334.10706	6.9
335.11115	6.6
336.12268	64.3
362.13721	0.9
426.42792	0.7
456.14600	1.1
468.14548	5.2
482.15744	1.0
484.14185	2.5
498.15683	1.2
500.17297	3.3
501.18005	1.4
512.13727	3.0
516.16602	0.9
526.14575	0.7
528.16479	1.0
530.14795	3.0
544.15771	4.6
545.17413	1.1
546.17841	1.3
560.19312	5.6
598.16467	0.6
657.81482	0.7
676.20026	4.1
688.21143	3.2
690.18085	4.5
704.19714	6.1
705.20203	2.8
720.22656	4.7
748.26038	3.0
762.27448	4.2
774.27374	0.7
776.25873	6.3
790.26965	6.5
791.28961	0.7
806.30090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92142	0.8
60.67516	0.8
63.58735	0.8
74.77120	0.9
88.38612	1.1
92.01782	0.9
101.21026	1.2
104.25580	1.0
117.11443	1.1
128.56012	1.0
142.52966	1.0
153.01810	1.2
154.81046	0.9
242.05659	1.6
259.02704	1.2
285.07629	4.7
292.09692	10.4
304.09610	1.0
306.07507	2.3
319.08389	1.9
320.09161	23.5
321.09979	33.6
334.10620	7.1
335.10983	5.9
335.88370	1.1
336.12274	100.0
472.81491	0.9
806.30035	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77231	0.4
87.49155	0.4
90.95066	0.5
101.16328	0.5
101.16980	0.6
155.05913	0.5
167.06912	0.9
175.03662	1.1
177.05469	0.8
181.23141	0.6
191.07065	0.7
201.75067	0.5
205.04692	0.9
207.06386	0.9
247.51091	0.5
290.08154	3.1
292.09637	7.1
293.09894	0.7
302.08264	1.0
304.06015	3.7
305.06558	1.2
306.07663	4.6
306.10718	0.6
318.07465	3.6
319.08356	17.9
320.09113	48.1
321.09875	25.2
322.09995	2.8
334.10718	27.4
335.11267	13.1
336.12280	100.0
352.08041	0.8
352.15454	1.9
370.09122	0.8
498.15344	0.9
498.27927	0.6
512.13611	2.3
526.14673	1.2
531.18890	0.7
532.19495	3.7
544.15936	0.9
546.21350	7.1
560.19293	1.2
806.30042	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06567	0.3
58.64637	0.2
65.49027	0.3
77.21451	0.3
96.42677	0.2
97.02816	0.4
147.30687	0.3
153.54402	0.3
177.05438	1.3
215.23439	0.3
288.70554	0.3
292.09683	9.6
304.06348	0.3
304.09613	1.7
306.07611	2.8
318.07669	0.6
319.08054	2.2
320.09146	13.6
321.09933	33.0
322.10376	0.6
334.10645	4.9
335.11017	3.7
336.12271	100.0
338.13052	0.3
351.56085	0.3
357.66312	0.3
440.96088	0.3
663.18457	0.3
806.29999	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45697	0.2
65.06806	0.2
66.56848	0.2
77.45293	0.2
100.35403	0.2
104.94691	0.2
111.93227	0.3
127.54621	0.3
153.01830	0.4
162.39075	0.2
188.07988	0.2
242.05782	0.4
252.04079	0.3
285.07593	0.6
292.09662	8.2
304.09604	1.8
306.07590	2.6
319.08337	1.6
320.09143	10.6
321.09940	29.0
322.06998	0.5
334.10596	2.1
335.10971	2.5
336.12283	100.0
367.56488	0.3
601.15717	0.3
704.19598	0.4
806.29718	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29152	0.4
66.19829	0.4
81.56562	0.4
113.65099	0.4
129.84500	0.4
227.16530	0.4
290.08078	2.1
291.08618	2.0
292.09683	4.1
304.06152	1.4
304.09485	0.8
305.06329	1.7
306.07516	0.9
308.12772	0.9
318.07584	1.8
319.08331	11.5
320.08884	16.6
320.12741	0.7
321.09830	14.7
334.10721	17.0
335.11026	15.5
336.12250	100.0
468.14346	0.7
482.15720	0.8
484.14279	0.7
486.15848	1.9
498.15503	0.5
500.17419	2.9
501.17755	2.6
512.13269	2.0
516.20514	0.7
526.15338	0.9
528.16693	1.8
530.14526	1.8
544.16119	3.3
545.16687	2.3
546.17969	0.8
560.19330	4.5
672.20862	0.7
688.20599	0.5
707.02362	0.5
748.25891	1.6
762.27655	2.5
774.27832	1.6
776.25220	4.0
790.27191	4.0
806.29974	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81590	0.5
61.71958	0.5
68.25447	0.5
75.84561	0.5
79.20377	0.6
81.05598	0.6
84.45833	0.5
85.94976	0.5
115.13303	0.7
121.95776	0.6
134.97833	0.6
187.96973	0.6
204.63359	0.7
266.08350	0.8
292.09692	1.3
294.07697	2.3
306.07721	0.7
308.09268	1.1
320.09247	5.5
321.10010	3.1
322.07236	1.3
322.10840	2.7
324.12311	3.5
334.10733	5.5
336.12274	9.4
337.12955	1.4
338.10236	1.0
350.13623	0.7
352.11871	1.3
389.06882	0.7
484.13266	0.9
516.16467	1.3
528.16705	3.1
530.14587	0.7
544.16089	6.1
560.19141	4.9
646.18677	0.7
672.19855	0.7
674.18756	1.1
688.20081	1.1
716.23700	0.9
744.23187	1.2
748.25781	5.1
760.26178	3.3
762.27899	8.8
774.27814	4.6
776.25360	14.6
790.27045	10.6
791.27155	0.9
806.30164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47818	0.2
61.02649	0.2
63.23277	0.2
76.02283	0.3
79.78237	0.2
81.03071	0.2
132.47940	0.3
152.16132	0.3
167.06963	0.6
185.52119	0.3
207.06432	0.4
212.87315	0.3
221.02475	0.3
290.08090	0.3
292.09659	9.5
304.09518	2.0
306.07697	2.6
318.07275	0.4
319.08328	2.0
320.09180	13.5
321.09955	32.7
334.10718	4.8
335.11151	2.4
336.12277	100.0
337.12650	0.3
364.60867	0.3
733.41010	0.3
744.95325	0.3
806.30090	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
65.73629	1.2
83.49403	1.4
85.69074	1.2
86.16418	1.2
91.05461	3.4
93.03404	1.8
93.21300	1.3
95.04964	1.8
97.02888	43.2
101.42368	1.5
103.22265	1.3
104.53900	1.2
117.03366	2.4
136.05157	1.8
145.02843	42.0
145.03932	2.3
147.04425	1.5
149.02359	2.9
149.05974	3.2
151.07524	32.9
157.65305	1.3
161.05983	3.0
162.06790	2.4
164.08347	9.3
165.09148	2.2
166.09914	2.5
167.03389	18.8
175.03880	6.8
175.07565	5.3
176.08302	16.2
177.05455	100.0
177.09047	2.4
179.06999	7.9
188.08223	1.5
189.09084	3.1
191.06998	1.7
193.08618	6.5
194.09361	8.5
199.07555	3.4
201.05461	28.1
201.09174	2.1
207.06425	2.7
210.22166	1.5
211.07739	2.2
213.05423	6.1
213.09213	2.4
217.08620	5.2
219.06480	6.6
225.67928	1.4
227.06995	2.1
229.08578	2.2
231.06523	3.5
235.09656	3.4
241.08574	5.9
242.09305	1.5
251.26917	1.4
259.09625	7.1
289.07712	1.5
291.08652	6.2
297.07645	2.5
315.08594	6.0
319.08417	9.1
320.09103	7.9
334.10764	17.4
335.11176	3.2
336.11914	6.5
339.12280	19.0
351.12216	7.7
369.13290	16.5
435.14450	6.9
435.47150	1.6
453.15170	6.7
465.15393	5.7
471.16470	7.7
483.16373	3.4
501.17657	2.0
503.39453	1.5
519.18237	3.1
663.22803	2.4
806.29382	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86812	1.3
72.69714	1.3
78.45403	1.4
80.43105	1.5
85.13956	1.3
90.49182	1.4
91.05466	2.4
93.03426	2.1
96.17673	1.5
97.02885	47.3
117.03371	3.4
125.68014	1.4
131.04979	1.8
136.05209	2.8
138.06792	3.4
145.02843	45.4
145.03937	2.9
145.06398	1.7
147.04362	1.9
149.02284	6.9
149.05988	6.3
151.07542	34.5
156.99805	1.4
161.05969	5.9
162.06747	2.3
163.07545	2.4
164.08328	14.4
166.09836	3.2
167.03343	16.8
173.06047	2.4
175.03862	10.2
175.07478	2.5
176.08344	18.5
177.05466	100.0
177.09035	6.3
179.07037	11.2
185.05919	1.7
187.07532	1.9
189.05621	2.2
189.09109	3.3
191.07036	2.0
193.08557	3.8
194.09399	10.1
199.07449	3.0
201.05455	31.6
201.09044	1.9
202.00803	1.6
203.10811	2.1
205.04913	1.7
213.05510	6.7
213.09006	2.3
215.07034	2.5
217.08574	3.0
219.06456	3.4
225.09140	1.9
227.07040	2.4
229.08624	2.1
231.06412	3.3
231.10248	4.8
235.09496	2.2
241.08566	3.0
243.10100	3.3
259.09653	10.7
289.10608	2.3
291.08539	3.6
291.44470	1.8
297.07596	3.2
309.10025	1.8
315.08694	6.5
320.09348	3.0
323.11359	1.7
334.10645	13.9
336.12137	2.9
339.12207	24.4
351.12122	8.9
369.13226	18.8
387.14560	1.6
435.14154	3.7
453.15558	11.3
465.15091	2.1
471.16196	7.8
483.16306	6.9
519.18683	3.7
646.14923	1.7
663.22705	2.9
742.41406	1.8
806.29083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06542	0.4
77.61466	0.4
97.02818	0.6
290.08142	3.9
301.98187	0.4
302.07947	1.4
304.06027	4.3
318.07568	5.2
319.08380	33.8
320.09128	2.9
320.12363	0.4
321.09473	1.4
322.10416	1.2
334.10721	100.0
335.11093	3.8
336.08536	1.8
336.12225	4.2
352.15320	0.8
406.86823	0.4
471.64520	0.4
546.01886	0.4
806.34015	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27393	0.1
63.98726	0.1
66.87349	0.2
68.06920	0.2
71.89133	0.2
75.03759	0.2
109.83672	0.2
166.23921	0.2
270.51099	0.2
276.06454	0.3
290.08109	3.8
302.08057	1.5
304.06030	3.8
307.08337	0.2
318.07581	5.9
318.11127	0.4
319.08377	37.1
320.08987	2.8
321.09583	0.3
324.12259	0.3
334.10715	100.0
335.10986	1.8
336.12076	1.4
481.11166	0.2
752.08081	0.2
786.82440	0.2
806.33972	39.8
837.32544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55318	0.4
65.61990	0.4
80.35906	0.4
86.65097	0.4
93.74694	0.4
114.81448	0.4
115.34265	0.4
250.24458	0.4
290.08130	3.8
302.08160	0.7
304.06073	3.4
318.07593	4.9
319.08362	32.6
320.08908	2.2
334.10721	100.0
335.10751	0.8
336.12134	1.7
469.49655	0.4
806.33832	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.5
60.35965	0.3
66.98687	0.4
71.04746	0.3
73.09017	0.3
74.70938	0.4
81.04591	0.3
86.00578	0.3
124.04404	0.4
182.01355	0.4
280.97464	0.4
290.08289	3.3
302.08224	0.7
304.05939	3.3
307.29001	0.4
318.07556	4.2
319.08380	32.7
320.09125	2.5
321.09464	0.5
322.10486	0.5
324.12466	0.6
334.10727	100.0
336.12387	0.9
337.12558	0.5
482.12393	0.5
806.33948	38.7
810.50330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54950	0.8
67.41502	0.7
68.20392	0.8
105.07058	1.9
108.97883	0.8
115.79872	0.8
133.06544	1.2
141.06935	0.8
148.05222	1.1
159.08073	1.2
161.05971	3.6
166.06276	12.2
167.04668	0.9
171.08029	1.0
175.07570	3.9
181.08598	63.3
190.06252	17.8
193.08667	1.0
199.07549	36.0
205.08600	49.2
206.09315	3.1
251.46567	0.8
260.08194	1.2
261.09158	1.5
276.11554	1.6
277.08484	1.1
289.08624	4.4
290.09460	1.0
291.10031	1.1
293.11670	1.9
303.10178	3.5
304.10968	12.0
305.08200	2.7
305.11636	26.1
307.13269	4.4
319.08914	1.1
320.09161	24.5
321.11221	29.9
321.14725	1.1
334.10840	4.3
335.12927	9.1
336.13559	64.3
337.10733	4.3
352.12845	2.7
367.15393	100.0
427.17581	27.3
599.78552	0.9
806.35736	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.36
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34137	1.6
70.08208	1.9
80.43092	1.9
87.44742	1.8
92.21550	3.8
137.48198	2.2
159.08160	2.1
166.06271	11.0
175.07588	4.5
181.08592	57.4
186.32155	2.0
190.06326	14.0
191.06956	2.6
196.79355	2.1
199.07570	25.7
205.08583	46.6
276.11426	3.1
289.08478	3.4
292.10446	2.3
293.11658	2.4
303.10165	2.5
304.10925	10.3
305.11713	25.3
320.09164	92.3
321.11209	28.9
334.10760	11.4
335.12714	10.4
336.13501	74.3
337.12601	12.5
338.13501	13.7
351.00955	2.2
352.13040	4.0
367.15405	100.0
427.17468	24.9
502.85779	2.3
541.80524	2.2
579.86914	2.7
806.35828	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
59.63374	0.6
61.02934	8.1
66.06868	0.7
69.03436	12.8
71.04998	1.4
73.02924	1.9
77.73213	0.8
81.03433	5.1
81.07047	1.6
85.02911	100.0
87.04462	1.8
91.03957	6.0
97.02898	26.8
97.10152	1.2
99.04464	5.0
107.08616	1.0
109.02876	7.9
109.10159	1.1
115.03961	0.9
121.10120	1.6
123.11687	0.9
127.03923	30.4
130.21962	0.9
145.04965	34.6
145.06087	1.7
147.11668	1.7
149.13239	1.3
161.13257	4.5
163.06018	14.1
173.97043	0.8
175.14847	4.2
187.14836	1.2
201.16464	1.2
251.75195	1.0
255.96706	1.0
257.22617	15.0
289.09076	3.8
303.23062	8.8
320.09137	14.6
325.11273	41.5
334.10770	5.0
336.12271	1.5
348.17044	0.9
447.27167	1.1
590.74097	0.9
638.89758	0.8
704.95569	0.9
806.39105	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45783	0.6
58.06605	11.0
70.06609	1.0
72.08159	16.4
72.08479	0.8
72.36613	0.8
84.08108	0.8
88.07654	4.9
90.09192	34.4
92.20955	1.3
102.09225	4.2
105.07091	0.9
107.04960	6.4
121.86189	0.9
129.13269	0.8
133.06549	1.1
135.08061	60.1
147.08090	1.5
161.09702	4.6
173.09613	12.7
181.08687	1.2
191.10660	17.7
209.11739	15.2
253.47749	0.8
319.08609	1.7
320.09125	16.6
334.10709	6.2
336.12964	1.5
367.15695	3.3
806.45001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	15.0
69.21200	0.5
70.06599	1.3
72.08156	47.3
73.25335	0.5
82.62840	0.5
86.06733	0.5
95.04952	0.8
102.09174	6.0
107.04969	7.4
129.28310	0.5
133.06523	0.8
135.08052	77.4
144.83917	0.5
161.09637	6.4
165.29449	0.7
173.09654	3.3
190.65067	0.5
191.10660	7.7
194.83775	0.5
209.11732	17.4
252.79726	0.6
320.08997	3.8
321.09540	1.3
322.10278	0.7
334.10910	3.4
335.11679	0.6
336.12167	0.8
404.24307	5.3
446.25629	1.2
448.26843	4.0
463.72479	0.5
488.30090	0.9
806.44781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	15.0
69.21200	0.5
70.06599	1.3
72.08156	47.3
73.25335	0.5
82.62840	0.5
86.06733	0.5
95.04952	0.8
102.09174	6.0
107.04969	7.4
129.28310	0.5
133.06523	0.8
135.08052	77.4
144.83917	0.5
161.09637	6.4
165.29449	0.7
173.09654	3.3
190.65067	0.5
191.10660	7.7
194.83775	0.5
209.11732	17.4
252.79726	0.6
320.08997	3.8
321.09540	1.3
322.10278	0.7
334.10910	3.4
335.11679	0.6
336.12167	0.8
404.24307	5.3
446.25629	1.2
448.26843	4.0
463.72479	0.5
488.30090	0.9
806.44781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	14.6
61.56449	3.1
67.05181	4.0
67.05511	53.2
67.22950	2.6
69.03442	22.2
69.07071	55.0
71.04984	2.8
71.08633	6.4
75.98477	2.7
79.05502	21.3
81.03421	22.4
81.07066	98.6
83.04988	6.1
83.08622	37.7
85.02903	7.0
85.06560	6.2
85.10188	3.5
91.05493	23.9
91.45176	3.1
93.07043	43.5
95.04956	15.0
95.08610	100.0
97.02895	6.1
97.06522	6.6
97.10139	22.0
97.12391	2.9
99.04459	3.6
99.08070	3.4
100.07578	4.0
105.07054	23.9
107.08584	36.1
109.10165	53.0
111.04415	7.6
111.08087	15.3
111.11737	4.1
114.09185	5.6
117.06998	7.3
119.08593	25.0
121.06528	4.9
121.10159	25.2
123.04420	6.9
123.08067	5.7
123.11687	20.5
125.09679	4.5
127.03925	7.2
128.10672	5.4
131.08592	23.7
132.46078	2.9
133.10118	24.4
135.11716	21.8
137.09621	6.8
137.13248	7.6
138.55879	3.3
139.11232	3.7
145.10069	6.7
147.11710	23.0
149.13251	15.8
159.11699	4.9
161.13254	20.2
163.14801	15.9
165.12714	5.7
165.16418	4.1
173.13223	5.3
175.14793	3.5
184.07362	6.8
185.13255	4.0
187.14862	4.2
190.88020	3.2
201.16414	5.1
245.22589	13.1
261.22165	3.3
263.23660	30.9
280.26462	46.7
293.24561	3.8
305.24686	5.1
320.08914	5.7
325.25119	4.1
329.25015	5.4
334.10541	5.7
353.24460	5.3
371.25839	31.9
389.26837	46.2
407.27945	56.4
425.28915	18.5
491.33423	12.9
806.36432	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	4.6
61.26651	4.3
63.50981	3.7
67.05509	59.9
69.03445	18.5
69.07077	50.9
76.73275	3.9
79.05498	21.9
81.03428	22.9
81.07059	100.0
83.08627	35.0
85.02898	8.5
85.06513	4.0
91.05484	16.7
93.07050	39.5
95.04975	6.3
95.08612	74.0
97.02853	5.1
97.06557	4.4
97.10161	23.4
99.08131	4.5
100.07622	5.2
105.07044	20.6
107.08618	29.8
109.06482	5.7
109.10158	44.2
119.08580	27.6
121.10173	30.2
123.11713	19.6
125.09591	6.4
131.08551	18.9
133.10149	20.7
135.08043	5.3
135.11700	20.3
137.13307	6.8
145.10118	8.3
147.11697	17.6
148.07239	4.1
149.13242	7.7
159.11740	5.3
161.13252	9.5
163.14810	5.8
175.14828	6.0
177.16382	5.8
195.32782	4.4
217.93895	5.0
245.22638	9.9
263.23697	34.8
280.26361	44.5
317.24780	5.1
353.24716	4.8
371.25598	29.3
389.26837	48.4
407.27988	55.4
425.28867	16.6
491.33307	6.5
790.83478	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35781	0.3
58.06612	0.4
60.18863	0.3
80.66978	0.3
85.02917	2.4
99.04453	1.4
112.66444	0.3
114.36851	0.3
114.37789	0.3
126.21367	0.3
127.03879	0.4
131.04906	0.5
175.03935	0.6
177.05473	0.4
205.04974	0.4
207.06624	1.5
217.93478	0.3
278.08121	2.8
290.08072	0.5
291.08859	2.8
292.09622	0.5
304.05887	0.4
306.07590	10.8
307.08270	2.3
318.07462	2.6
319.08322	4.0
320.05515	16.4
320.09103	2.8
321.10025	2.7
322.06976	1.1
322.10757	3.7
334.06998	2.6
334.10754	4.5
335.07816	19.9
336.12286	5.4
350.10211	100.0
360.12515	0.4
386.10086	2.4
403.17819	0.4
404.14868	0.7
414.09607	0.5
414.43613	0.3
430.12695	0.6
448.14420	0.4
790.23364	7.7
808.24054	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
89.71117	0.2
98.11909	0.1
115.58159	0.1
198.33961	0.2
228.79504	0.1
290.07990	0.3
291.08771	0.2
292.09641	1.8
306.07297	0.2
308.12701	1.1
318.07623	0.2
319.08408	1.4
320.09140	9.5
321.09930	5.2
321.13541	0.3
334.10663	3.4
335.11258	0.2
336.12268	100.0
495.06265	0.2
610.19421	1.1
646.95227	0.2
725.24036	0.2
808.24426	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43291	0.5
68.23331	0.5
88.08576	0.5
117.03353	0.7
117.60469	0.6
133.91254	0.5
145.02859	10.3
146.16542	0.5
162.12578	0.6
163.03896	0.6
177.05473	24.5
177.33826	0.5
290.08102	9.3
302.08218	3.8
303.09180	0.7
304.06100	8.2
308.80945	0.5
318.07602	11.6
319.08401	60.7
320.09039	5.4
321.09665	2.7
334.10739	100.0
335.11200	4.7
336.12189	10.1
337.12482	1.1
338.13696	0.8
408.12164	7.4
419.11301	0.8
420.12070	2.3
422.10159	9.8
436.11819	20.6
437.12646	14.3
450.13611	0.6
451.14264	0.9
452.14905	37.9
470.16263	1.8
494.15530	0.7
790.24359	1.1
808.25763	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03402	0.8
83.09312	0.9
98.54041	1.1
109.97437	1.0
117.03381	1.2
118.16441	0.8
145.02863	11.1
175.07640	1.2
177.05455	22.6
199.11429	1.0
239.97472	1.0
290.08133	9.9
292.09775	2.2
293.10068	1.2
295.20230	1.0
302.08179	2.1
304.05975	9.8
318.07611	11.5
319.08377	62.1
320.09128	5.0
321.09882	10.1
322.10254	7.6
323.10468	1.0
334.10712	97.3
335.11221	1.2
335.19742	1.1
336.12265	38.8
337.12582	20.3
338.12778	8.6
381.13251	1.6
408.12500	7.2
413.15894	4.6
420.12393	3.8
422.10263	8.3
436.11838	25.5
437.12582	15.0
452.14844	39.9
790.24878	2.1
808.25720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03402	0.8
83.09312	0.9
98.54041	1.1
109.97437	1.0
117.03381	1.2
118.16441	0.8
145.02863	11.1
175.07640	1.2
177.05455	22.6
199.11429	1.0
239.97472	1.0
290.08133	9.9
292.09775	2.2
293.10068	1.2
295.20230	1.0
302.08179	2.1
304.05975	9.8
318.07611	11.5
319.08377	62.1
320.09128	5.0
321.09882	10.1
322.10254	7.6
323.10468	1.0
334.10712	97.3
335.11221	1.2
335.19742	1.1
336.12265	38.8
337.12582	20.3
338.12778	8.6
381.13251	1.6
408.12500	7.2
413.15894	4.6
420.12393	3.8
422.10263	8.3
436.11838	25.5
437.12582	15.0
452.14844	39.9
790.24878	2.1
808.25720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07844	2.8
78.75554	2.7
85.02931	5.0
86.97848	2.9
105.87162	2.9
107.04961	70.3
137.05949	13.0
145.06477	7.0
175.07558	28.3
209.09669	3.9
237.09058	17.9
251.70332	3.1
262.51114	3.3
269.11676	83.6
279.24478	3.6
286.14307	26.3
302.14075	2.7
304.66016	3.4
376.31760	3.4
448.13498	5.3
448.19601	100.0
537.63330	3.8
636.57605	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40286	0.2
59.39288	0.2
66.63351	0.2
93.56799	0.2
110.78864	0.2
167.07007	0.4
266.09369	0.3
277.11087	0.4
294.11237	8.7
296.10376	0.3
306.06509	0.3
306.11139	1.9
308.09216	3.1
311.12732	0.4
319.08237	1.1
320.08911	2.3
321.09341	1.1
322.10760	10.8
323.11514	32.1
334.10721	1.1
335.11136	2.3
336.11588	2.7
337.12030	1.1
338.13855	100.0
339.12274	2.9
371.14899	3.8
373.16809	0.4
568.37347	0.2
731.71179	0.3
808.31195	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80881	0.5
73.71846	0.5
85.02892	0.7
90.51608	0.5
91.16425	0.5
96.58630	0.5
97.27821	0.6
107.04945	1.1
114.09111	0.6
119.04903	1.0
121.06463	0.6
128.46565	0.5
131.04883	0.7
133.02820	0.9
137.05957	3.2
146.07217	0.5
147.04390	2.1
151.07588	0.8
161.05930	0.8
167.07054	4.2
175.07558	0.8
177.05450	0.7
179.06929	0.6
191.07018	2.6
193.08606	0.6
219.10059	1.0
224.08452	0.7
233.09706	0.6
249.08984	1.9
250.09828	0.9
252.07800	5.3
261.09064	0.8
264.07785	2.7
265.08575	7.5
265.11948	0.9
266.09390	4.2
267.10147	1.0
269.11801	0.8
275.10608	0.7
277.08536	2.4
278.09238	1.1
279.10236	0.5
280.07306	2.3
284.10428	0.7
293.08084	2.6
293.11694	14.2
294.08774	0.7
295.09647	3.7
296.10410	14.0
297.11047	0.9
308.10223	0.8
309.11115	4.9
310.11829	3.8
311.12744	14.6
312.09860	0.9
319.08670	0.9
320.09290	4.0
321.11273	12.1
323.12839	0.9
324.09836	1.2
325.10724	2.3
327.12210	0.8
334.10837	2.7
336.12222	4.9
337.12759	0.5
339.12268	99.7
340.13123	6.2
341.13770	2.2
343.15344	8.0
351.12241	1.1
353.13879	0.7
356.12491	1.8
371.14886	100.0
373.16537	8.3
397.16138	0.6
438.99811	0.6
512.02844	0.5
521.21844	5.0
533.21283	1.9
601.60736	0.6
808.29077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06560	0.6
68.91492	0.3
76.62386	0.2
80.50615	0.2
85.25357	0.3
91.64727	0.2
92.21532	0.5
110.54642	0.3
156.73776	0.3
181.66360	0.3
265.08478	0.5
290.08255	0.6
292.09702	5.4
297.11310	0.6
304.05951	0.5
304.09683	0.7
306.07681	1.7
318.07709	1.3
319.08371	5.3
320.09085	6.8
321.09940	21.5
334.10730	14.7
334.14661	0.7
335.11142	1.4
336.12280	100.0
342.16968	0.4
808.35571	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03569	0.2
58.06576	0.3
64.18439	0.2
69.99799	0.3
123.56400	0.3
125.80404	0.3
177.92203	0.3
290.08023	0.5
292.09702	3.4
296.64630	0.3
304.06003	1.0
304.09598	0.3
306.07513	0.6
318.07602	1.1
319.08450	5.4
320.09018	8.7
321.09930	15.7
334.10745	11.0
335.11063	6.7
336.12286	100.0
336.92758	0.3
337.12689	0.3
808.35400	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.0
57.07063	1.9
59.45204	2.3
61.28232	2.3
61.43125	2.2
63.08440	2.2
67.05517	39.7
69.07063	13.0
69.09306	2.1
71.05021	2.8
71.37638	2.7
79.05497	30.9
81.07057	45.7
83.08625	5.0
88.82822	2.5
91.05460	25.1
91.34674	2.1
93.07048	46.5
95.04981	2.9
95.08607	34.1
105.07040	33.1
107.08631	27.2
109.10155	18.0
117.07025	10.6
119.08565	34.6
121.10156	26.1
123.08038	4.8
129.06963	4.4
131.08554	15.6
133.10143	32.8
134.50677	2.5
135.11691	16.4
143.08609	3.1
145.10109	18.7
147.11676	26.4
149.13277	4.1
157.10162	4.5
159.11678	17.8
161.13289	15.1
163.11148	3.8
171.11649	13.2
173.13309	5.9
185.13232	4.0
187.14841	3.9
199.14868	4.9
241.19572	4.5
259.20526	36.7
333.24243	17.7
335.25812	23.5
593.45245	11.7
611.37042	4.3
611.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94689	0.3
69.03413	1.9
83.04984	15.9
85.02889	0.7
87.00838	0.3
92.20932	0.5
111.04438	21.5
111.81680	0.4
117.06930	0.5
129.05450	1.8
137.05986	0.5
153.05463	6.8
167.07024	7.0
171.06499	1.4
173.05902	0.9
181.04982	2.9
231.08629	7.9
246.84793	0.4
270.05267	1.7
285.07547	100.0
309.18018	0.4
334.10712	0.8
336.12387	3.1
337.12595	1.5
408.91565	0.4
447.12659	0.4
533.10596	0.4
579.17041	3.5
613.22772	3.8
677.20380	0.9
768.54535	0.4
809.24524	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
123.72411	0.3
131.43187	0.3
147.65164	0.3
290.08093	8.4
294.11243	2.5
295.11615	1.8
302.08185	2.3
303.08862	0.4
304.06042	7.7
318.07584	11.2
319.08380	52.4
320.09000	1.8
321.09558	1.5
322.10239	0.4
334.10718	100.0
335.11118	0.8
336.12195	2.1
337.12720	1.7
338.13251	0.4
458.66705	0.4
474.87711	0.4
610.96118	0.4
809.29053	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77107	0.4
71.17199	0.5
74.58665	0.5
92.21632	0.6
163.90388	0.6
290.08075	8.5
302.08328	1.4
304.06049	7.6
318.07620	11.2
319.08386	52.0
320.09247	2.4
321.09821	1.2
334.10718	100.0
335.11356	0.8
336.12244	3.0
337.12891	1.1
486.66211	0.6
809.29163	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72242	0.5
79.17008	0.4
82.56934	0.5
85.21431	0.5
94.67201	0.5
189.18564	0.4
290.08075	9.5
302.08060	2.8
304.06006	8.3
318.07596	11.6
319.08389	44.7
320.09088	0.9
321.09515	0.7
334.10709	100.0
336.11981	0.8
337.12601	0.8
809.29108	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42744	0.6
74.53277	0.6
78.65671	0.6
130.79234	0.5
134.64270	0.5
137.06020	2.5
151.03902	0.6
157.47195	0.7
167.07089	3.3
177.05507	1.4
181.04967	1.4
190.16159	0.6
191.62053	0.7
231.23347	0.6
290.08142	8.6
302.08194	1.1
304.06125	7.1
315.70291	0.7
318.07568	12.2
319.08408	52.9
320.09152	3.5
321.09866	1.3
322.10672	0.8
331.38223	0.8
334.10721	100.0
335.11090	0.8
336.12247	9.4
337.12558	5.6
338.13959	1.3
348.08337	0.8
387.14307	0.7
389.15771	1.4
390.16464	2.5
809.29071	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06562	0.4
67.56473	0.3
92.21557	0.3
167.07100	0.4
174.26326	0.3
177.75249	0.3
290.08087	9.2
302.08112	3.4
304.06033	9.8
306.11053	0.5
307.08374	0.5
308.09106	0.5
318.07574	13.0
319.08377	55.9
320.09067	4.1
321.09521	1.4
322.10406	0.5
323.11304	0.5
334.10718	100.0
335.11121	1.7
336.12317	3.9
337.12708	1.5
338.13239	1.2
350.10382	0.4
416.11169	0.4
810.27399	47.2
837.20728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98694	0.2
58.10763	0.2
63.49868	0.3
66.75689	0.2
73.33784	0.2
88.40746	0.3
103.63777	0.2
114.06699	0.3
119.01484	0.3
131.58440	0.3
201.48701	0.3
243.61679	0.3
276.06491	0.4
290.08102	10.5
296.09229	1.6
296.43118	0.3
302.08121	3.0
303.08749	0.3
304.06003	8.8
306.11136	0.4
308.08957	0.5
310.06903	0.3
310.28030	0.3
312.08606	0.3
318.07590	12.4
319.08383	56.0
320.09128	5.3
321.09406	0.6
322.10574	0.3
324.08646	2.5
334.10712	100.0
335.10989	1.2
336.12173	2.3
418.00266	0.3
472.14960	0.4
766.68591	0.3
810.27350	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98694	0.2
58.10763	0.2
63.49868	0.3
66.75689	0.2
73.33784	0.2
88.40746	0.3
103.63777	0.2
114.06699	0.3
119.01484	0.3
131.58440	0.3
201.48701	0.3
243.61679	0.3
276.06491	0.4
290.08102	10.5
296.09229	1.6
296.43118	0.3
302.08121	3.0
303.08749	0.3
304.06003	8.8
306.11136	0.4
308.08957	0.5
310.06903	0.3
310.28030	0.3
312.08606	0.3
318.07590	12.4
319.08383	56.0
320.09128	5.3
321.09406	0.6
322.10574	0.3
324.08646	2.5
334.10712	100.0
335.10989	1.2
336.12173	2.3
418.00266	0.3
472.14960	0.4
766.68591	0.3
810.27350	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	5.5
81.07063	2.9
81.29125	2.3
93.07028	2.7
95.08586	3.1
109.10158	2.7
187.56076	2.6
259.03970	2.3
304.05850	3.0
319.08521	24.5
332.09149	12.7
334.10742	100.0
346.06973	5.2
360.08740	26.2
361.09393	31.0
376.11810	74.6
394.12875	38.0
419.52335	2.6
432.44934	2.8
456.08701	23.3
474.09412	15.3
542.01898	2.6
583.30066	11.7
810.35895	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.9
81.07061	2.4
95.08652	1.8
118.55799	1.4
189.92430	1.6
194.42799	1.5
225.85715	1.4
239.42441	1.5
290.08344	2.1
291.27292	1.8
302.08255	2.0
304.06061	2.0
318.07837	5.4
319.08417	31.3
332.09128	12.2
334.10733	100.0
344.09106	2.7
346.07211	7.9
360.08527	18.9
361.09476	27.6
376.11768	70.4
392.11392	1.9
394.12860	37.2
411.45227	1.4
417.75473	1.7
438.07480	3.0
440.05524	6.5
441.06372	1.6
456.08408	27.9
474.09546	24.8
534.63898	1.6
595.19312	1.5
810.36053	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85463	0.2
69.03435	100.0
87.04465	6.6
103.11031	0.3
105.05515	0.5
155.07030	14.3
173.08168	1.4
174.17570	0.3
178.59882	0.2
191.09135	0.3
197.50121	0.4
232.53880	0.3
239.33647	0.3
241.10670	4.4
259.11780	3.9
277.12836	0.4
304.05096	0.3
327.14487	2.2
345.15378	7.1
361.45316	0.4
363.16388	2.2
413.18137	0.6
431.13412	0.4
431.19205	4.7
449.20285	1.8
499.21527	0.5
517.22601	3.5
535.23724	1.5
603.26569	1.6
621.27472	0.6
689.30042	0.6
707.31104	0.6
793.33942	0.4
810.37732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40300	0.3
74.99268	0.2
79.65993	0.2
95.62538	0.3
102.46899	0.3
128.33347	0.3
167.57272	0.3
285.07870	0.4
292.09641	12.0
304.09668	1.6
306.07587	3.3
308.09390	0.6
319.08380	0.4
320.09180	11.1
321.09952	30.3
324.08548	2.4
329.75476	0.3
334.10901	1.2
335.10992	0.5
336.12289	100.0
337.12582	0.5
340.11679	0.4
356.11313	2.4
376.41641	0.3
410.34628	0.3
417.00986	0.4
455.14471	8.2
533.64520	0.3
553.18219	11.5
562.03906	0.3
697.22351	3.1
811.25415	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.1
60.07683	0.7
92.20943	1.2
121.32939	0.9
123.90959	0.9
131.15045	0.8
137.06009	1.9
148.05206	6.4
161.05952	2.1
163.41959	1.0
165.07013	0.9
166.06258	8.7
167.07068	1.9
171.07996	1.0
175.07619	1.4
176.08284	7.5
181.08583	100.0
187.07588	1.7
190.06219	7.2
191.06993	1.5
193.08603	1.1
195.08281	0.9
195.10130	2.1
199.07613	2.0
201.09180	1.1
203.41272	0.9
205.08617	13.1
206.09456	1.1
207.10176	10.9
211.07513	5.4
221.08041	6.8
225.09068	4.2
227.10625	1.5
279.10291	1.2
287.10748	1.2
287.21225	1.2
299.10641	1.1
303.10300	1.2
305.11844	1.7
309.11182	1.8
310.12079	1.3
319.08505	2.3
320.09286	1.9
321.11099	4.0
330.12366	0.9
331.09668	1.2
331.13397	1.6
334.10632	8.4
335.11121	1.5
336.12967	3.8
341.13800	6.0
343.13162	1.1
347.12766	4.0
359.12759	1.8
361.14398	1.4
362.14966	5.5
364.12805	1.6
367.15070	7.1
374.15234	1.5
375.12033	1.1
377.13809	1.6
393.16949	15.8
395.18503	2.0
405.16959	3.6
423.12524	1.2
423.17972	20.2
461.56641	1.1
465.19095	6.7
507.19507	1.9
534.02252	1.1
539.20599	1.1
545.21405	4.7
565.21729	3.7
583.23438	1.7
599.22614	3.7
625.24316	1.0
681.26532	2.2
721.28967	1.1
733.30261	9.4
741.28503	1.4
751.31274	11.3
793.31342	5.6
811.32867	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54728	0.8
59.63754	0.8
63.94501	0.9
77.23777	1.1
91.05483	1.2
94.17831	1.0
120.66326	1.1
133.06476	1.2
136.05246	1.5
138.06750	1.2
148.05182	6.0
151.07570	1.1
166.06296	10.3
167.07025	1.2
174.06763	1.1
175.07552	1.7
176.08293	7.1
181.08589	100.0
190.06226	7.8
193.08568	1.2
195.10161	1.2
205.08630	13.6
207.10211	9.9
211.07657	2.4
221.08061	4.4
225.09071	2.1
227.10645	2.3
307.09509	1.2
310.12241	2.4
318.07809	1.2
318.11826	1.0
319.08551	2.5
320.09238	5.6
321.10950	1.5
326.11691	1.3
331.09540	1.7
331.13205	1.5
334.10822	5.1
336.13525	1.4
341.13724	6.0
342.53787	1.2
343.10071	1.3
347.12933	2.4
349.14249	1.9
357.13583	1.3
362.14914	1.1
367.15326	5.7
375.12347	1.2
379.14896	1.5
393.17117	9.7
395.18484	5.2
405.16840	3.6
409.18793	1.2
423.18134	13.1
465.18887	4.4
539.20862	1.5
545.22083	4.5
565.21954	1.7
583.23297	4.2
599.22845	2.5
603.44098	1.2
681.26593	5.7
719.27826	1.3
733.29956	12.2
741.28400	1.8
751.31299	18.1
793.31555	6.0
811.32996	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03366	1.6
85.02898	3.7
97.02905	1.7
99.04445	1.4
100.49050	1.4
107.04975	39.6
123.04438	9.0
127.03897	3.2
143.04906	10.0
145.06494	7.0
151.07419	1.9
161.01195	1.9
161.05977	10.4
164.07079	3.6
183.29597	1.5
190.08606	19.3
191.09113	7.4
208.09732	3.5
237.09055	3.0
255.10159	67.3
272.12796	58.6
358.11081	6.4
359.11322	7.8
376.12137	6.1
377.12552	3.6
434.18073	100.0
462.61371	1.8
812.27216	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56112	1.6
58.89421	1.5
59.85479	2.0
64.15400	1.7
65.66255	1.9
90.92610	1.8
105.57946	1.8
112.60777	1.8
128.01746	2.0
131.46292	1.6
276.06302	2.3
290.08063	3.8
304.05988	8.3
318.07510	12.2
319.08359	30.7
320.08829	16.1
322.10410	2.4
334.10709	67.0
335.11099	11.8
336.11993	4.3
356.25125	2.1
514.73065	2.1
517.81866	2.3
580.12238	7.9
594.13690	7.6
595.14746	9.5
605.13013	4.3
607.11005	3.7
608.12384	17.8
621.12402	2.8
622.13257	9.7
623.14502	89.8
637.15887	14.3
638.16968	41.3
813.22406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06618	1.5
60.04528	27.9
70.02966	11.0
70.03284	1.2
83.06129	3.3
84.04514	49.6
87.05586	6.2
88.03513	2.4
88.03996	41.4
98.02412	9.9
101.07143	6.8
115.05045	17.0
120.08107	37.3
125.07136	2.8
126.05520	50.2
129.06592	13.7
133.06088	100.0
138.05486	12.7
139.05055	1.8
144.06573	1.7
150.05490	2.2
153.06564	2.0
156.07681	1.6
157.06067	12.6
164.03384	1.8
166.08624	7.3
167.04414	2.3
168.06544	5.2
171.07648	1.7
172.07523	3.0
174.08661	1.5
175.08702	2.6
181.06129	11.9
184.07201	7.5
185.05586	9.4
186.07751	2.2
198.08789	2.4
199.07129	9.2
200.07053	9.4
202.08237	9.6
203.06645	3.4
204.08643	6.0
208.07066	1.5
209.05605	13.4
210.03981	6.8
216.09840	2.5
221.09216	2.0
226.08221	16.5
227.06613	25.9
235.10773	9.9
236.06552	2.5
244.09262	38.6
245.09137	1.6
246.07603	6.9
250.08212	3.5
263.10208	2.2
268.09244	5.3
278.07675	12.7
280.12997	2.6
286.12106	1.6
295.10358	3.2
296.08801	14.3
297.11319	2.2
304.12930	7.5
308.09265	7.3
309.09525	7.8
313.11459	7.3
314.09708	3.3
331.12561	6.0
341.10831	1.7
342.17126	2.5
351.09338	2.1
367.16064	8.7
411.11389	2.1
427.15427	1.6
445.16708	8.7
446.15070	2.8
483.20346	1.7
565.22351	5.7
570.23828	8.9
570.31763	1.6
575.20782	2.4
576.19348	2.4
592.23358	7.7
593.22083	30.6
610.24725	53.6
648.24536	6.1
698.67889	1.6
795.31049	2.0
813.32489	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35564	1.5
61.02925	4.4
67.05518	3.6
68.63601	1.7
71.75399	1.8
73.02924	2.8
77.76433	1.8
81.07056	2.4
82.08537	1.6
85.02905	4.2
85.35909	1.6
91.03917	2.7
93.07037	3.8
95.08627	3.2
97.02918	2.7
107.08610	3.1
107.88417	1.7
109.10204	3.2
127.03947	2.7
137.45677	1.7
147.11646	1.9
148.45187	1.7
243.08505	2.3
361.27655	2.1
447.83423	2.2
458.62485	2.0
519.29529	12.1
530.02875	1.9
535.29205	4.5
725.74847	2.3
813.51239	100.0
815.68500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.291
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08050	0.2
62.73924	0.3
76.41081	0.3
83.26613	0.3
83.38052	0.2
87.32037	0.2
130.81226	0.3
254.09924	0.3
274.91339	0.3
290.08105	5.7
296.65048	0.3
302.08112	1.0
304.05984	6.0
304.09204	0.5
318.07620	6.9
319.08392	42.3
320.09048	3.1
321.09879	0.5
333.85663	0.3
334.10730	100.0
335.11078	1.6
336.12283	3.2
338.13223	0.4
352.15472	0.5
372.12277	1.3
463.40195	0.3
464.13425	0.5
814.29230	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	0.4
69.03422	1.1
73.02911	0.5
73.24216	0.5
85.02910	7.2
87.04455	0.5
97.02898	2.4
99.04472	0.7
107.04956	45.2
115.05397	0.7
121.06500	1.8
123.04417	8.7
124.97181	0.5
127.03911	2.9
137.06068	0.6
143.04938	10.7
145.06517	5.0
149.05952	0.6
161.05960	11.5
161.78603	0.5
164.07085	4.8
178.08621	0.9
209.09656	0.9
216.02832	0.6
237.09169	1.0
247.99725	0.9
255.10150	62.4
272.12802	59.3
314.13739	0.6
328.12430	0.5
434.18100	100.0
696.94702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07099	0.4
59.00357	0.4
73.03471	0.5
74.18733	0.4
95.08611	0.6
97.21082	0.5
104.31748	0.5
108.60911	0.5
111.04440	3.2
131.23592	0.5
135.11731	1.0
137.21870	0.5
163.11137	2.6
181.12251	4.2
203.10442	9.0
221.11520	3.0
238.61926	0.5
239.12534	30.2
343.09244	0.5
419.24045	100.0
444.18503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07099	0.4
59.00357	0.4
73.03471	0.5
74.18733	0.4
95.08611	0.6
97.21082	0.5
104.31748	0.5
108.60911	0.5
111.04440	3.2
131.23592	0.5
135.11731	1.0
137.21870	0.5
163.11137	2.6
181.12251	4.2
203.10442	9.0
221.11520	3.0
238.61926	0.5
239.12534	30.2
343.09244	0.5
419.24045	100.0
444.18503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49313	0.3
58.79538	0.3
61.43515	0.3
62.52517	0.3
66.78801	0.3
70.97942	0.3
92.21565	0.3
145.41042	0.4
221.37988	0.4
242.42380	0.4
290.08121	9.8
302.08148	3.2
304.06076	10.6
318.07614	14.5
319.08392	57.1
320.09058	0.9
321.09753	0.6
334.10736	100.0
336.12280	2.5
347.00797	0.4
816.24982	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	3.6
69.10986	0.4
73.34941	0.5
81.56976	0.6
91.05482	100.0
92.21495	0.5
107.80156	0.5
119.15646	0.5
136.07559	0.6
147.04446	0.8
181.10222	2.0
187.03955	1.2
199.04021	2.2
208.33775	0.5
215.03401	26.4
216.04248	0.5
216.58499	0.5
229.92853	0.6
253.08652	0.6
263.07007	5.8
281.08151	2.8
290.05786	2.2
291.06512	39.8
303.06644	3.3
308.06802	7.2
309.07568	77.2
320.09470	0.8
321.07474	10.7
321.10690	0.7
381.11414	0.9
399.01779	0.5
399.12186	11.6
427.11877	6.9
563.16937	14.1
563.25043	0.6
738.68921	0.6
816.27979	28.2
816.43414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.6408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	29.9
71.08627	25.6
73.06548	7.2
85.10170	22.4
87.04433	7.0
87.15456	5.5
89.06045	87.7
89.82188	4.7
98.72761	4.8
114.31538	5.1
133.08611	30.9
177.11198	8.0
256.25629	4.8
297.31458	6.4
799.60944	35.0
816.63806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29399	1.1
71.07951	1.2
92.21519	2.4
93.07079	1.4
125.13522	1.1
150.88609	1.2
154.57353	1.3
174.05550	2.9
253.69896	1.4
262.97659	1.3
269.30261	1.3
334.10706	1.3
450.10037	2.1
467.10165	13.7
468.10501	12.0
482.12332	19.9
483.13226	10.2
521.18689	1.4
581.14185	1.5
593.13904	1.6
597.13300	2.3
609.16284	1.9
610.13690	1.6
611.14618	8.3
622.13867	5.2
623.13977	8.4
624.13007	2.2
625.12402	71.9
637.15820	4.7
639.14063	24.0
640.14972	17.0
654.16370	13.1
655.08527	1.9
655.17072	94.0
817.22369	100.0
825.87225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87037	0.3
73.10596	0.3
73.42303	0.4
95.85107	0.3
117.80715	0.4
137.05936	0.5
290.08005	8.3
298.54144	0.4
302.08087	2.0
304.05963	8.0
307.08316	0.4
308.09079	0.6
318.07587	10.8
319.08368	48.7
320.09134	21.6
321.09494	1.8
322.10654	9.0
334.10706	100.0
335.11005	2.6
336.12180	4.5
351.83948	0.4
580.17505	0.5
818.22754	20.2
818.40063	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34406	0.3
102.85892	0.3
147.04329	0.3
192.10132	0.3
290.08084	8.7
302.08154	2.5
304.06039	8.5
318.07614	11.2
319.08392	51.6
320.09177	3.3
321.09781	0.7
334.10730	100.0
335.10797	0.6
336.12350	4.9
460.30676	0.3
818.26447	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34406	0.3
102.85892	0.3
147.04329	0.3
192.10132	0.3
290.08084	8.7
302.08154	2.5
304.06039	8.5
318.07614	11.2
319.08392	51.6
320.09177	3.3
321.09781	0.7
334.10730	100.0
335.10797	0.6
336.12350	4.9
460.30676	0.3
818.26447	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88562	0.1
72.10073	0.2
74.59630	0.1
77.15083	0.1
144.55690	0.2
176.14568	0.2
207.06490	0.2
274.56021	0.2
276.06586	0.7
290.08090	10.0
302.08145	2.8
304.06015	9.1
304.09537	0.3
318.03802	0.3
318.07593	12.2
319.08380	55.4
320.09042	1.3
321.09549	0.3
322.10666	0.3
334.10718	100.0
335.11093	0.7
336.12497	0.5
337.12653	0.2
403.07361	0.1
604.45929	0.2
818.26477	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39672	0.2
90.16945	0.2
101.20777	0.2
139.16316	0.2
148.04739	0.2
164.12961	0.2
175.03983	0.2
176.40192	0.2
191.86414	0.2
197.68207	0.2
276.06625	0.4
290.08090	9.7
302.08188	2.4
304.05991	8.6
316.06253	0.2
318.07605	12.8
319.08374	53.5
320.09198	2.2
334.10712	100.0
336.12238	0.4
368.21301	0.2
381.05466	0.2
386.15085	0.2
614.69604	0.2
631.67010	0.2
638.13177	0.2
691.51605	0.2
693.04047	0.2
743.55157	0.2
818.26459	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67298	0.2
63.28827	0.2
64.00256	0.2
92.20891	0.3
95.08521	0.2
98.92143	0.3
113.23917	0.3
136.53069	0.3
276.06534	0.4
290.08063	9.2
292.09619	0.5
302.08170	2.9
304.05994	9.3
318.07620	12.1
319.08374	58.4
320.09229	0.5
321.09866	1.8
322.10480	0.4
334.10709	100.0
336.12216	5.1
337.12576	1.3
425.88608	0.3
592.23022	0.3
749.62695	0.3
767.45660	0.3
818.26453	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14618	0.2
65.70993	0.2
68.83231	0.2
71.37157	0.2
71.48570	0.2
73.60603	0.2
92.20866	0.2
93.20271	0.2
122.46410	0.2
167.07033	0.2
174.10220	0.2
180.58910	0.2
271.68759	0.2
276.06497	0.5
277.39374	0.2
290.08109	9.7
302.08075	2.7
304.06021	9.2
305.06412	0.2
318.07596	12.6
319.08392	52.5
320.09091	0.4
321.09369	0.3
334.10736	100.0
407.07751	0.2
523.22882	0.2
808.76984	0.2
818.26514	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54527	0.3
63.58476	0.3
65.81724	0.3
167.06915	0.5
272.79584	0.3
290.08124	10.4
302.08005	2.9
304.06036	8.1
304.09213	0.7
318.07574	11.1
319.08395	53.5
320.09088	2.1
321.09915	0.7
334.10727	100.0
336.12350	3.2
370.13696	0.4
386.10587	0.5
654.45929	0.4
818.26422	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16640	0.2
66.03001	0.2
67.09087	0.2
88.81889	0.2
106.15409	0.2
156.38036	0.2
178.89450	0.2
182.23401	0.2
276.06598	0.9
290.08124	9.3
290.11349	0.4
302.08136	3.1
304.06015	9.3
304.09534	0.3
318.03860	0.3
318.07599	12.3
319.08386	53.1
320.09262	0.3
334.10727	100.0
386.10483	0.2
540.28479	0.2
722.31134	0.2
818.26477	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21512	0.3
150.52802	0.2
157.76910	0.3
252.79051	0.3
276.06421	0.4
290.08099	9.3
302.08047	2.5
303.08621	0.4
304.06061	9.0
307.22876	0.3
318.07599	13.1
319.08398	54.5
320.09048	0.4
334.10733	100.0
336.12256	1.1
386.10193	0.4
448.70786	0.3
466.02258	0.3
630.12158	0.3
818.26508	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68605	0.3
92.21040	0.4
92.21518	0.4
145.30710	0.3
200.10472	0.3
290.05035	0.4
290.08136	9.1
302.08136	2.5
304.06049	8.6
318.07599	12.9
319.08395	52.9
334.10727	100.0
399.81573	0.3
550.87726	0.4
818.26495	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18180	0.3
88.16592	0.4
104.46743	0.3
125.81067	0.3
130.20937	0.3
137.06013	0.5
290.08087	7.9
292.09723	0.5
302.08041	3.0
304.06000	10.1
318.07602	13.7
319.08380	52.2
320.09180	0.6
321.09750	0.8
334.10724	100.0
336.12268	3.8
337.12552	1.7
454.92282	0.5
589.42474	0.4
813.76501	0.4
818.26373	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02023	0.2
63.95624	0.2
73.73663	0.3
108.47144	0.3
126.92881	0.3
276.06439	0.4
290.08069	10.7
302.08124	2.6
304.06033	7.8
304.09250	0.5
318.07590	12.2
319.08374	57.0
320.09186	0.6
334.10718	100.0
336.12198	1.8
595.86530	0.3
622.47632	0.3
818.26447	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34406	0.3
102.85892	0.3
147.04329	0.3
192.10132	0.3
290.08084	8.7
302.08154	2.5
304.06039	8.5
318.07614	11.2
319.08392	51.6
320.09177	3.3
321.09781	0.7
334.10730	100.0
335.10797	0.6
336.12350	4.9
460.30676	0.3
818.26447	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87515	0.2
86.93619	0.2
99.04320	0.3
104.43056	0.2
158.66193	0.3
276.06226	0.2
290.07996	4.5
302.08047	1.5
304.06000	4.3
316.06195	0.3
318.07504	5.0
319.08313	31.5
320.08997	1.7
321.09912	0.3
334.10648	100.0
335.10904	1.0
336.12112	0.5
351.46619	0.2
374.67395	0.2
565.55811	0.3
750.15460	0.3
818.34021	25.9
828.91669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
75.66678	0.2
106.79149	0.2
112.77686	0.2
264.71442	0.2
276.06241	0.2
290.08063	3.8
302.08105	1.5
304.06030	3.0
318.07590	4.5
319.08408	30.0
334.10736	100.0
378.05566	0.2
416.20084	0.2
818.33832	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07311	0.2
70.65926	0.2
70.78564	0.2
74.12440	0.2
181.08661	0.4
290.08142	5.1
302.08139	1.3
304.05988	3.8
308.09271	0.3
318.07632	5.4
319.08386	30.6
320.09125	1.8
321.09576	0.5
334.10733	100.0
336.12216	1.0
361.48517	0.3
364.08206	0.3
367.15668	0.3
544.73676	0.3
552.69684	0.3
818.33661	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
89.20026	0.2
113.04067	0.3
128.53938	0.3
135.08731	0.3
184.34523	0.3
234.27815	0.3
290.08038	4.0
302.08069	1.0
304.06058	4.4
318.07660	6.3
319.08386	30.4
320.08768	0.8
334.10736	100.0
336.12131	1.2
799.86151	0.4
818.33917	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87515	0.2
86.93619	0.2
99.04320	0.3
104.43056	0.2
158.66193	0.3
276.06226	0.2
290.07996	4.5
302.08047	1.5
304.06000	4.3
316.06195	0.3
318.07504	5.0
319.08313	31.5
320.08997	1.7
321.09912	0.3
334.10648	100.0
335.10904	1.0
336.12112	0.5
351.46619	0.2
374.67395	0.2
565.55811	0.3
750.15460	0.3
818.34021	25.9
828.91669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87515	0.2
86.93619	0.2
99.04320	0.3
104.43056	0.2
158.66193	0.3
276.06226	0.2
290.07996	4.5
302.08047	1.5
304.06000	4.3
316.06195	0.3
318.07504	5.0
319.08313	31.5
320.08997	1.7
321.09912	0.3
334.10648	100.0
335.10904	1.0
336.12112	0.5
351.46619	0.2
374.67395	0.2
565.55811	0.3
750.15460	0.3
818.34021	25.9
828.91669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06539	0.3
91.06744	0.3
158.64384	0.4
190.04976	0.3
215.94536	0.3
290.08069	6.0
302.08060	1.3
304.06003	4.6
318.07550	7.1
319.08365	38.7
320.09024	4.4
321.09308	0.3
324.12637	0.3
334.10712	100.0
335.07678	0.4
335.11212	2.3
336.11957	3.2
350.10062	0.3
391.19171	0.3
443.13641	0.4
661.18152	0.3
818.26917	3.0
818.41272	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22230	0.2
63.20665	0.2
73.60381	0.2
75.94497	0.2
127.21454	0.2
141.75034	0.2
154.44728	0.2
214.73293	0.2
244.62300	0.2
290.08078	9.3
300.65686	0.2
302.08182	2.6
304.06042	7.9
305.06735	0.3
318.07632	12.4
319.08389	55.0
320.09268	0.5
334.10727	100.0
336.12109	0.3
367.11411	0.2
452.13217	1.0
555.84778	0.3
629.36053	0.3
695.35638	0.3
820.28082	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49571	1.0
61.67947	1.0
73.27123	1.1
79.06796	1.0
92.21507	1.5
104.06925	1.1
146.14111	1.2
178.33174	1.1
216.59364	1.3
217.08618	1.8
286.00555	1.4
290.08112	6.0
292.09802	2.2
302.08047	1.6
304.05991	5.8
318.07529	10.5
319.08395	50.8
320.09146	8.8
321.10034	10.5
322.10434	1.4
328.09888	1.5
334.10733	100.0
335.10962	1.4
336.12271	40.7
542.14325	2.8
558.17267	2.6
570.60303	1.5
636.19867	1.3
666.38379	7.1
820.27515	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71511	0.2
66.21445	0.2
72.84308	0.2
74.94073	0.2
90.25150	0.2
276.06442	0.4
290.08096	10.0
302.08063	2.8
304.02734	0.4
304.06042	9.2
311.60239	0.2
318.07608	12.8
319.08398	53.9
322.63159	0.2
331.00146	0.2
334.10739	100.0
386.10495	0.4
820.28094	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98596	0.2
78.61254	0.2
107.81730	0.2
143.74017	0.2
152.03867	0.2
161.65228	0.2
290.08099	9.8
302.08044	2.2
304.06015	9.2
318.03860	0.3
318.07590	12.9
319.08386	55.6
320.09058	1.1
321.09982	0.4
334.10733	100.0
336.12289	3.8
385.99857	0.3
386.10260	1.2
737.98096	0.3
820.28082	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53918	0.3
87.52322	0.3
87.83089	0.3
95.00671	0.4
96.93066	0.3
138.10292	0.3
150.67491	0.4
180.02609	0.4
182.25089	0.4
246.69278	0.5
271.23041	0.4
290.08157	8.9
292.09659	0.7
302.08008	2.3
304.05981	6.8
318.07553	10.7
319.08374	50.3
320.09039	4.4
321.09879	2.2
334.10712	100.0
335.11124	1.6
336.12265	9.9
366.66986	0.4
367.12100	0.4
386.10187	0.6
507.00272	0.4
747.52167	0.5
767.81635	0.4
820.27924	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.281
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06622	0.8
75.84292	0.6
76.19672	0.8
87.33466	0.8
135.70726	0.8
141.28546	0.8
143.28638	0.7
167.07019	1.0
278.08276	1.0
290.08127	7.0
302.08176	1.1
304.06082	6.0
304.09204	0.8
306.07764	1.6
318.07578	11.5
319.08386	44.4
320.09152	9.0
321.09683	1.9
322.10687	3.7
334.10721	100.0
335.11499	1.9
336.12271	6.4
337.12881	1.0
350.10184	3.8
350.14017	4.9
496.14441	1.0
512.13916	0.9
556.16522	1.0
810.86847	1.0
820.28027	61.7
826.58325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39600	0.6
64.59932	0.8
108.46827	0.8
125.05992	0.8
129.25114	0.8
153.05518	0.9
174.05518	7.0
188.03517	1.2
201.16208	0.9
226.08682	1.1
244.09901	1.2
253.08849	0.9
255.75018	1.0
290.08105	7.8
292.64230	0.9
302.08176	2.0
304.06021	7.0
306.07584	1.1
309.30304	0.8
318.07529	10.2
319.08362	51.2
320.09253	6.0
321.09714	6.7
327.12161	1.4
334.10712	100.0
336.12305	20.1
350.10370	1.5
356.09122	1.0
359.15051	5.2
468.15060	1.1
820.28003	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90973	0.2
65.13389	0.3
69.41947	0.3
71.84470	0.2
132.84618	0.3
135.49776	0.3
221.05374	0.3
223.33652	0.4
290.08087	9.7
292.09634	0.6
302.08215	2.7
304.06030	9.1
304.08691	0.3
306.07700	0.4
318.07602	11.8
319.08395	51.1
320.09058	1.9
321.09991	4.1
334.10733	100.0
336.12286	13.2
337.12674	0.6
820.28082	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22230	0.2
63.20665	0.2
73.60381	0.2
75.94497	0.2
127.21454	0.2
141.75034	0.2
154.44728	0.2
214.73293	0.2
244.62300	0.2
290.08078	9.3
300.65686	0.2
302.08182	2.6
304.06042	7.9
305.06735	0.3
318.07632	12.4
319.08389	55.0
320.09268	0.5
334.10727	100.0
336.12109	0.3
367.11411	0.2
452.13217	1.0
555.84778	0.3
629.36053	0.3
695.35638	0.3
820.28082	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03896	0.3
82.25406	0.4
92.21352	0.8
154.70222	0.4
175.90450	0.4
290.08118	9.3
290.11276	0.5
302.07980	2.7
304.06049	8.8
318.07620	11.3
319.08395	51.8
320.08813	2.3
321.09641	0.9
334.10739	100.0
335.11121	3.4
336.12100	4.8
401.09872	0.4
820.28064	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
96.81158	0.2
121.93056	0.2
124.99625	0.2
159.00400	0.2
276.06448	0.4
290.08060	9.7
291.08408	0.3
302.08084	2.7
304.05978	8.8
305.06293	0.3
318.03802	0.4
318.07590	11.8
319.08368	57.1
320.08786	2.7
321.09131	1.2
334.10712	100.0
335.11069	3.9
336.11475	2.8
384.94949	0.2
386.10187	0.8
399.11188	0.3
400.11948	1.0
427.10660	0.2
432.10516	0.3
434.15829	0.2
442.12793	1.4
460.14099	0.4
466.23438	0.2
471.44312	0.2
695.35956	0.2
820.27820	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74786	0.2
90.68716	0.2
98.10614	0.2
101.72077	0.3
116.20135	0.2
118.48425	0.2
130.63544	0.3
132.65442	0.2
138.28752	0.3
207.30257	0.3
229.39273	0.3
290.08115	9.8
292.09583	2.0
302.08014	2.9
304.06036	8.0
304.09348	0.5
306.07370	0.4
318.07590	12.7
319.08377	53.3
320.08963	2.9
321.09882	5.0
323.11655	0.3
334.10715	100.0
335.11078	1.6
336.12259	16.6
337.12897	0.3
386.10077	0.4
820.28015	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
75.23626	0.6
84.57479	0.5
111.68694	0.6
117.78560	0.6
207.06351	0.7
252.21249	0.7
290.08051	9.1
292.09442	1.2
302.08099	2.9
304.06012	9.9
318.07526	11.2
319.08362	52.7
320.09113	6.6
321.09689	7.5
334.10709	100.0
335.11383	2.4
336.12234	23.8
336.15976	1.1
403.17963	0.7
490.98380	0.8
820.27863	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89993	0.3
79.24306	0.3
82.13625	0.3
93.81993	0.3
154.60370	0.3
166.42596	0.3
195.11929	0.4
284.35858	0.4
290.08099	9.4
302.08105	3.2
304.06064	7.3
315.86929	0.4
318.07617	11.2
319.08368	51.8
320.09030	0.7
321.09702	0.7
334.10709	100.0
335.11142	0.5
336.12289	4.2
340.46414	0.4
369.32004	0.3
400.64374	0.3
532.65430	0.4
820.27954	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01187	0.2
92.84458	0.2
141.27756	0.2
290.08081	10.0
290.11337	0.4
302.08118	2.9
304.06003	9.8
318.07581	13.5
319.08371	55.3
334.10703	100.0
336.12405	0.3
386.09854	0.3
616.03278	0.2
787.17090	0.3
820.27966	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91830	1.9
73.84482	1.9
92.20958	2.2
100.70197	1.8
101.31149	2.5
105.06997	2.0
133.06514	2.4
161.05966	3.5
166.06209	9.0
175.07487	3.7
181.08598	52.4
190.06255	18.5
191.07069	2.8
199.07512	26.6
205.08557	34.8
292.10187	2.3
297.90582	2.1
303.10242	2.4
304.10767	5.2
305.08524	2.6
305.11670	15.9
307.13370	3.3
318.07870	2.3
319.08148	5.2
320.09058	19.4
321.11166	31.3
334.10733	14.0
335.12640	3.5
336.12662	100.0
338.14050	2.7
340.12726	2.8
352.13040	3.3
367.15375	97.7
427.17426	26.3
820.25104	7.8
820.38184	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04374	0.5
76.10822	0.6
76.14556	0.7
86.65784	0.7
89.32755	0.6
91.05493	3.0
92.05859	1.0
93.94452	0.6
97.39404	0.6
188.91759	0.7
259.94263	0.9
287.36896	0.7
309.07486	0.9
310.08218	1.5
311.08035	0.7
331.05795	1.3
347.05368	0.9
351.39120	0.7
367.23502	0.8
371.98499	0.7
397.37720	0.7
407.49884	0.7
427.12015	1.0
475.04999	0.9
490.93652	0.7
585.06494	0.8
585.15222	3.7
587.36505	0.7
703.19550	4.5
762.19348	0.8
795.01343	0.8
821.23450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
57.07082	30.7
67.05507	6.4
67.24115	0.5
69.07064	7.6
69.11749	0.5
71.08631	30.7
74.15909	0.5
75.04508	0.7
80.17699	0.5
81.07061	13.2
83.08620	12.1
85.10181	17.9
89.06030	1.2
94.08057	0.7
95.08607	22.1
95.09937	0.6
97.10184	5.0
98.98466	40.3
109.10165	11.2
111.11730	0.9
116.99512	0.8
121.06509	0.7
123.11700	4.4
137.13202	0.9
145.47839	0.6
155.01036	77.9
173.02121	3.2
239.23701	5.8
257.24680	1.3
313.27347	48.4
314.89154	0.6
320.08984	0.8
335.10928	1.4
391.06821	0.6
393.23965	100.0
476.21402	0.7
510.74548	0.7
821.38062	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.9
57.07081	29.5
61.18679	0.4
67.05502	7.6
69.07071	7.4
71.08234	1.0
71.08630	29.1
75.07111	0.5
81.07056	13.4
83.08614	11.1
85.10181	17.2
89.06042	0.7
95.08603	21.6
97.10158	5.0
98.98461	39.8
99.11707	0.9
103.07550	0.9
109.10146	10.4
111.11716	0.6
122.58387	0.5
123.11715	4.4
137.13249	0.9
155.01028	74.9
173.02112	3.4
173.31155	0.5
224.92303	0.5
235.81139	0.5
239.23671	4.3
257.24783	1.0
313.27338	49.2
334.10776	0.7
352.59964	0.6
362.58713	0.6
393.23965	100.0
415.40378	0.7
821.36432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
57.07086	27.9
61.55713	0.6
62.77481	0.6
67.05510	8.8
69.07073	5.7
71.08231	1.0
71.08635	29.4
79.97565	0.7
81.07068	14.3
83.08620	12.0
85.06542	1.0
85.10193	21.2
89.06054	1.0
95.08610	22.8
97.10162	7.9
98.98472	41.0
99.11728	0.8
100.69978	0.8
103.07579	0.8
109.10170	11.2
116.99505	0.7
123.11713	4.2
125.13287	0.7
137.13284	1.6
154.12190	1.2
155.01047	78.5
173.02156	2.4
184.92842	0.7
198.08415	0.7
239.23729	4.4
257.24832	0.9
284.18118	0.7
313.23679	1.8
313.27356	49.0
313.95926	0.9
327.49234	0.8
341.20865	0.6
393.23999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
57.07084	36.4
57.71056	0.9
59.85260	0.8
67.05499	6.8
69.07081	7.5
71.08636	29.0
81.07063	16.7
82.47092	1.0
83.08624	14.7
85.10181	24.7
89.06013	1.2
92.21323	1.0
95.08617	25.0
97.10166	7.3
98.98459	45.6
99.11746	1.1
108.80580	1.0
109.10164	12.9
123.11714	5.6
137.13271	1.9
154.94572	1.1
155.01039	93.6
170.48177	1.0
173.02098	4.3
218.82407	1.2
239.23692	5.4
257.24625	1.3
313.27335	57.5
319.08154	2.0
320.08652	1.3
334.10696	2.3
335.10840	1.9
393.23978	100.0
567.31091	1.2
749.52448	1.2
821.37903	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.223
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48720	0.2
67.82597	0.2
73.43983	0.2
81.99550	0.2
92.20858	0.4
94.17549	0.2
141.01859	0.2
141.74181	0.2
278.08188	1.0
279.08923	1.0
294.07574	0.5
306.07584	11.2
308.09088	0.9
309.09387	0.4
318.07666	2.5
319.08374	2.4
320.05511	5.5
320.09204	2.1
321.09628	1.3
334.07062	5.0
334.10785	5.4
335.07864	37.9
336.12164	1.5
350.10220	100.0
357.09885	0.3
372.11938	0.3
552.48407	0.3
579.44452	0.3
624.17267	3.0
636.13324	0.3
659.38342	0.3
822.22211	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
72.69992	0.2
79.32741	0.3
102.85622	0.3
110.04475	0.2
165.38860	0.3
249.03716	0.3
258.74017	0.3
278.08115	0.6
279.08960	0.5
290.08084	2.1
292.09424	0.3
294.07581	0.6
302.08127	0.3
304.06097	2.2
306.07605	10.9
318.07565	5.5
319.08365	12.6
320.05499	5.4
320.09128	5.2
321.09528	1.1
322.10309	0.3
334.07022	6.5
334.10742	25.1
335.07837	37.7
335.10953	2.2
336.12259	7.2
337.12787	0.4
338.13730	1.5
350.10220	100.0
372.12213	0.9
553.14716	0.3
624.16992	2.3
822.21387	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99637	0.4
78.57375	0.4
147.44125	0.3
161.33725	0.4
172.69220	0.4
174.59517	0.4
269.76535	0.4
272.68335	0.4
290.08136	8.1
294.11218	0.4
302.08112	2.0
304.06024	7.2
315.11511	0.4
318.07574	10.4
319.08383	52.6
320.08981	8.8
321.09174	0.8
322.10602	1.8
323.11484	2.8
329.11404	1.4
329.61844	0.9
334.10724	100.0
335.11124	4.3
336.12036	5.0
337.13120	2.7
338.13727	5.2
352.15482	1.6
525.28198	0.5
635.42035	0.5
768.28296	0.5
822.29718	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26708	0.2
85.02843	1.0
87.61041	0.2
89.74509	0.3
99.04475	0.3
116.73862	0.3
142.68948	0.3
145.04924	0.2
161.99004	0.3
175.03911	0.4
203.22083	0.2
205.04880	0.3
207.06564	2.2
290.08075	8.3
302.08096	2.2
303.08469	0.3
304.05981	7.3
318.07584	10.3
319.08377	50.5
320.08887	2.3
334.10709	100.0
335.11057	1.7
336.11600	1.5
386.10190	0.3
548.18573	0.3
822.29633	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85951	0.2
63.67442	0.3
73.85397	0.3
81.84778	0.3
86.44674	0.3
151.83401	0.3
276.06430	0.5
290.08096	10.0
302.08063	2.9
304.06000	7.6
318.07587	11.4
319.08389	50.8
320.08957	1.6
334.10724	100.0
335.11136	1.8
336.11584	1.3
540.57324	0.3
605.55988	0.3
822.29651	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.296
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98084	0.2
71.67165	0.2
90.64629	0.2
139.65034	0.2
158.54692	0.3
202.37613	0.2
207.80881	0.3
292.09680	7.4
304.09650	1.4
306.07547	2.6
319.08173	0.9
320.09137	10.2
321.09952	26.4
322.10303	0.3
334.10666	2.5
335.11044	1.4
336.12289	100.0
337.12799	1.1
352.15448	2.2
436.17682	0.2
522.46149	0.2
720.22382	0.4
734.25433	0.2
822.29529	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94409	0.1
75.69480	0.2
76.79639	0.2
130.68683	0.2
158.47615	0.2
162.83487	0.2
218.09448	0.2
232.31390	0.2
276.06525	0.3
279.08865	0.2
290.08112	8.2
292.09543	0.4
302.08145	2.6
303.08673	0.2
304.06070	6.7
305.06277	0.2
306.07590	2.1
318.07608	10.8
319.08383	52.2
320.05457	1.1
320.09106	3.1
321.09708	1.7
334.10727	100.0
335.07849	6.7
335.11227	1.7
336.12253	10.6
338.13718	0.3
350.10226	19.4
529.94141	0.2
726.38373	0.2
818.02911	0.2
822.30505	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26708	0.2
85.02843	1.0
87.61041	0.2
89.74509	0.3
99.04475	0.3
116.73862	0.3
142.68948	0.3
145.04924	0.2
161.99004	0.3
175.03911	0.4
203.22083	0.2
205.04880	0.3
207.06564	2.2
290.08075	8.3
302.08096	2.2
303.08469	0.3
304.05981	7.3
318.07584	10.3
319.08377	50.5
320.08887	2.3
334.10709	100.0
335.11057	1.7
336.11600	1.5
386.10190	0.3
548.18573	0.3
822.29633	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37202	0.2
62.49964	0.2
62.72142	0.2
75.22115	0.2
101.21078	0.2
121.06461	0.2
148.21327	0.2
177.05423	0.3
209.08087	0.2
260.20615	0.2
275.09396	0.3
278.07983	0.3
279.40210	0.2
290.08008	1.6
291.08582	0.9
292.09641	8.4
303.08548	0.2
304.06000	1.6
304.09634	1.8
305.06485	0.7
306.07498	2.2
315.14175	0.2
318.07571	2.5
319.08350	10.6
320.09045	13.0
321.09930	27.8
334.10706	19.3
335.11081	5.0
336.12271	100.0
338.13815	0.4
423.24567	0.2
446.44568	0.2
822.29309	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37202	0.2
62.49964	0.2
62.72142	0.2
75.22115	0.2
101.21078	0.2
121.06461	0.2
148.21327	0.2
177.05423	0.3
209.08087	0.2
260.20615	0.2
275.09396	0.3
278.07983	0.3
279.40210	0.2
290.08008	1.6
291.08582	0.9
292.09641	8.4
303.08548	0.2
304.06000	1.6
304.09634	1.8
305.06485	0.7
306.07498	2.2
315.14175	0.2
318.07571	2.5
319.08350	10.6
320.09045	13.0
321.09930	27.8
334.10706	19.3
335.11081	5.0
336.12271	100.0
338.13815	0.4
423.24567	0.2
446.44568	0.2
822.29309	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.295
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18047	0.4
65.88818	0.4
68.39742	0.3
68.96628	0.3
76.46275	0.5
77.37037	0.3
81.83710	0.3
85.66057	0.4
91.87976	0.4
95.71854	0.4
107.07826	0.4
107.53835	0.4
130.94667	0.4
207.06535	0.5
213.19473	0.4
290.08362	0.8
294.11136	1.4
298.45468	0.4
304.06125	1.6
304.09607	0.5
305.10464	0.7
306.07721	0.4
318.07782	1.0
319.08298	6.6
320.09042	3.4
320.12967	4.1
321.09335	0.7
322.10843	0.6
323.11322	2.9
334.10724	12.1
335.11218	1.7
336.12271	6.4
338.14087	2.1
348.12354	0.7
424.11966	0.5
425.12720	0.8
453.12137	0.6
454.15753	0.5
456.14444	1.8
468.14478	10.0
468.20523	0.6
470.16223	0.9
484.14008	2.3
498.15692	0.9
500.17102	2.9
502.15594	0.7
516.16522	2.6
526.15314	0.5
528.16705	1.7
529.60999	0.4
530.14655	1.9
531.15192	0.4
544.16119	3.6
545.17004	2.5
546.17676	1.7
560.19122	7.8
602.20221	0.9
662.19342	2.4
674.18536	0.6
676.20544	4.5
688.20398	2.7
690.18188	7.5
704.19684	6.7
705.20844	2.8
706.20258	1.2
720.22858	7.6
764.25623	1.9
772.25873	0.5
778.27234	3.2
790.26917	1.5
792.25208	5.1
806.26617	4.0
822.29608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.297
Annotation	Unknow
Peak:m/z	Relative Intensity
95.22776	0.1
97.96636	0.1
122.80000	0.2
131.42184	0.2
167.22467	0.2
273.07642	0.2
276.06531	0.7
290.08121	9.2
291.08530	0.3
302.08093	2.5
303.08783	0.2
304.06061	8.4
305.06204	0.3
318.07614	9.1
319.08395	52.5
320.08960	3.0
321.08920	0.7
334.10739	100.0
335.11057	2.7
336.11325	1.6
338.14093	0.3
511.39417	0.2
517.16278	0.2
822.29700	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58158	0.3
81.56231	0.3
117.02509	0.3
167.06934	0.4
183.95392	0.3
216.28754	0.3
266.24255	0.4
292.09616	1.3
307.08456	0.3
308.12839	1.5
319.08463	2.7
320.09164	12.7
321.09937	5.9
334.10712	5.1
335.11148	0.3
336.12283	100.0
383.52963	0.3
482.16129	0.4
484.13931	2.1
485.14935	0.4
486.15625	0.7
498.15692	0.5
500.17081	2.5
501.17700	1.6
512.13434	1.8
514.18829	0.4
516.20819	1.1
528.16754	0.6
530.14575	1.9
544.15845	2.5
545.16718	1.7
546.17670	1.3
560.19031	2.3
641.32672	0.4
662.19751	0.7
676.20459	1.9
688.20288	1.4
690.17419	2.2
704.19604	3.7
705.20660	1.5
706.21680	0.4
720.23273	2.7
778.27228	0.7
790.27704	0.5
792.25397	1.5
806.26910	1.4
822.29712	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36604	0.2
95.46510	0.2
116.06961	0.2
116.10980	0.2
182.49190	0.2
271.05811	0.2
272.06549	0.2
290.08270	0.4
291.08728	0.4
292.09656	8.6
304.06131	0.4
304.09637	1.3
306.07559	2.9
308.12802	0.3
318.07538	0.2
319.08282	3.0
320.09079	11.3
321.09921	25.3
322.10516	0.9
334.10745	4.6
335.10962	3.9
336.12268	100.0
337.12759	2.2
338.13437	0.8
352.15439	2.6
376.91080	0.2
386.61224	0.2
408.59879	0.3
731.22162	0.2
822.29034	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26129	0.5
61.84337	0.5
65.03941	1.0
65.58031	0.5
67.05515	0.6
69.03415	0.6
81.03429	0.7
82.60223	0.5
83.01350	0.8
85.02880	0.6
89.03905	0.7
91.05484	2.6
93.03391	3.6
95.04982	0.6
97.02892	46.1
103.05463	1.0
117.03375	3.0
119.04935	5.9
121.06505	2.3
123.04435	0.6
129.07030	0.7
131.04933	0.9
133.02846	10.0
133.06506	2.2
137.04997	1.0
137.05983	20.4
145.02846	44.1
145.06529	1.0
147.04427	7.5
149.02357	6.0
149.06017	6.7
150.06783	2.1
151.03984	1.0
151.07515	4.0
157.06499	3.2
161.05934	5.6
162.06723	4.1
163.03914	0.6
163.07516	1.9
165.05458	2.4
167.03387	21.2
167.04834	0.8
169.06540	0.9
173.06026	2.3
175.03905	8.8
175.07542	3.6
177.05461	100.0
179.07013	2.5
180.07755	0.7
185.06003	2.6
187.07527	2.8
189.05534	1.2
189.09123	5.5
193.04904	2.3
195.06400	1.0
197.05898	1.2
199.07512	5.5
201.05449	16.1
201.07199	0.8
201.08992	0.9
203.07002	1.0
204.04222	3.4
207.06511	3.1
211.07469	1.1
212.04750	0.5
213.05441	3.6
215.07028	2.6
217.08594	8.5
219.06519	8.6
221.08043	4.3
225.05603	0.7
227.07057	5.8
229.08534	0.9
231.06482	4.5
233.06006	1.1
233.08220	1.0
237.22244	0.6
239.06923	0.6
240.77245	0.5
245.08105	9.2
246.08908	0.7
249.07341	0.9
251.07101	0.8
257.08170	2.6
258.08698	0.7
261.05347	1.1
265.08493	1.0
266.53766	0.6
272.10349	0.6
273.07385	0.6
275.09207	2.5
277.08658	0.8
289.07089	0.7
290.08224	0.9
291.08585	8.1
297.07501	1.9
304.05807	1.0
305.08038	1.2
307.09503	1.3
315.08548	3.2
318.07596	2.1
319.08487	7.8
320.09036	1.1
325.10727	12.5
334.10669	13.3
337.10748	2.8
341.10229	0.6
355.11771	12.4
373.12766	9.1
393.13223	0.8
421.12949	5.4
439.13745	7.3
451.13654	4.3
457.15146	5.3
469.14658	4.4
487.15842	2.0
505.16681	4.0
535.48169	0.6
619.20172	1.0
649.20880	2.6
822.29871	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.5
71.04990	0.4
83.04986	15.1
85.02905	1.0
96.54684	0.2
97.37039	0.2
111.04442	25.6
112.58373	0.2
112.93104	0.3
129.05453	1.9
137.62256	0.2
153.01913	0.2
153.05453	7.9
154.69244	0.2
171.06482	1.4
213.07632	0.4
231.08623	9.8
242.05612	0.4
270.05182	1.8
285.07562	100.0
307.02637	0.2
377.99146	0.2
574.96667	0.4
593.18640	5.4
606.53564	0.3
643.41833	0.3
677.20972	1.0
803.73132	0.3
823.26471	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02963	0.6
80.87542	0.4
84.04530	2.2
86.06130	0.5
97.79175	0.5
99.05593	1.0
112.03977	0.9
116.03465	0.6
129.06598	0.7
130.04156	0.8
130.04985	5.3
131.09383	0.5
135.04457	0.9
145.06067	6.1
149.05995	5.4
155.08144	1.1
177.03354	3.2
178.08702	0.8
181.03241	1.9
181.06142	1.0
183.04842	2.0
188.07066	34.9
189.07826	4.0
190.08615	5.6
192.10210	0.7
193.03264	1.1
195.04657	0.5
197.02699	0.6
202.08662	0.6
205.03247	0.7
206.08134	6.4
207.04709	0.8
209.02765	3.1
222.05806	4.9
224.07454	0.7
231.04277	0.8
240.06805	3.4
247.07584	0.6
250.05313	1.7
256.09213	0.6
257.07736	0.9
277.08710	0.6
291.06516	0.6
294.08960	0.7
297.09024	0.7
305.08133	0.8
306.08768	6.0
307.04373	2.4
309.08014	1.4
315.07053	1.1
322.10907	5.0
323.03970	0.8
324.09949	6.8
325.05286	1.1
325.08716	2.2
327.06781	3.8
336.12198	3.5
337.05255	16.7
337.09085	1.1
337.13019	13.3
339.06982	0.9
341.08554	2.1
343.06430	0.7
355.06149	1.4
357.08084	0.7
368.09659	0.7
370.11050	4.4
386.10797	0.9
388.12106	24.4
532.17609	3.4
534.39655	0.5
550.17426	1.0
598.18646	1.0
616.20026	1.9
661.21783	8.2
677.75189	0.6
694.23041	0.9
727.27130	0.9
805.26080	0.9
823.26990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89285	0.9
69.09736	0.8
105.07021	3.6
133.06519	2.3
148.05196	1.6
159.08020	1.5
160.05211	1.7
161.04837	0.9
161.05966	7.4
161.16449	1.0
166.06259	10.0
171.08080	1.4
175.07553	4.3
181.08585	51.8
190.06227	18.2
191.07050	1.6
199.07545	27.7
205.08612	43.4
261.09076	3.7
276.11386	3.3
277.08429	1.6
289.08667	5.2
290.09470	1.2
291.10159	1.5
293.12070	1.4
303.10190	4.3
304.10959	9.9
305.08075	4.5
305.11703	20.8
307.13199	4.2
309.11111	2.1
319.08463	1.0
320.10358	7.1
321.11304	27.0
322.10504	1.3
323.12222	1.1
334.10754	2.3
335.12903	11.3
336.13449	61.1
337.12833	19.9
338.13611	5.5
350.22458	1.0
352.12689	1.7
367.15396	100.0
427.17554	23.4
746.25903	1.7
823.41681	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20317	4.0
61.02923	76.1
67.05505	31.1
69.03423	27.0
69.07050	10.9
71.04993	5.8
73.02907	28.6
79.05483	5.8
81.03423	19.2
81.07063	34.4
82.54955	5.0
83.08614	8.7
85.02905	100.0
91.03963	52.9
93.07045	9.2
95.08594	26.3
97.02892	72.3
99.04446	8.7
101.02435	5.3
103.03943	10.2
105.07038	7.0
107.08638	5.3
109.02863	10.0
109.10127	7.3
115.04010	4.9
123.11706	5.3
123.43517	5.0
127.03929	28.4
145.04944	26.5
163.06042	29.5
181.02974	5.6
183.06602	7.8
186.14281	5.2
191.41667	5.0
201.07562	8.8
337.27451	35.4
445.29526	8.7
463.30353	10.5
481.31485	36.4
499.32477	7.6
715.95410	8.4
823.42859	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02726	0.2
63.13382	0.2
68.30398	0.2
71.68126	0.2
75.00942	0.2
83.61536	0.2
86.34289	0.2
102.17177	0.2
276.06479	0.3
290.08105	9.2
302.08197	2.3
304.06018	7.9
318.03842	0.4
318.07584	12.5
318.65543	0.2
319.08386	54.4
320.08960	1.4
321.09592	0.4
334.10721	100.0
335.11127	1.4
336.12338	2.7
352.15485	0.3
356.10202	0.2
361.45364	0.2
453.05161	0.3
477.77701	0.3
680.50500	0.3
824.27502	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08098	0.2
82.15816	0.2
96.58915	0.3
114.27485	0.3
275.09647	0.3
290.08246	0.6
304.06116	0.5
308.12787	12.9
318.07684	0.5
319.08392	4.1
320.08981	2.5
320.12891	2.8
321.09763	1.0
322.10754	6.6
323.11734	0.3
334.10724	12.7
335.11169	1.3
336.12271	20.6
337.08820	0.4
337.13065	33.7
352.15414	100.0
404.34583	0.3
440.38303	0.2
626.22296	0.9
824.27026	31.7
833.54016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36133	0.3
63.90184	0.3
151.29666	0.4
175.24643	0.3
276.06567	0.4
290.08118	8.8
292.09637	0.4
302.08084	2.3
304.06024	7.9
318.07596	10.9
319.08389	49.6
320.09119	4.7
321.09753	1.2
334.10727	100.0
335.11172	0.4
336.12274	11.4
499.33887	0.4
630.40869	0.4
820.76495	0.4
824.27612	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36133	0.3
63.90184	0.3
151.29666	0.4
175.24643	0.3
276.06567	0.4
290.08118	8.8
292.09637	0.4
302.08084	2.3
304.06024	7.9
318.07596	10.9
319.08389	49.6
320.09119	4.7
321.09753	1.2
334.10727	100.0
335.11172	0.4
336.12274	11.4
499.33887	0.4
630.40869	0.4
820.76495	0.4
824.27612	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.29
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69265	0.4
67.07926	0.3
77.62408	0.4
81.64005	0.4
104.54591	0.4
113.69772	0.4
121.31626	0.4
137.05873	0.5
205.05077	0.6
290.08020	9.2
302.08020	2.3
304.06033	7.4
309.65915	0.4
318.07550	11.7
319.08365	55.8
320.09177	13.9
321.09390	0.6
322.10547	0.6
334.10706	100.0
335.11078	2.0
336.12225	4.0
337.13074	0.9
337.17554	0.5
352.15451	0.9
630.17792	0.6
660.22778	0.8
824.28906	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28524	0.3
69.03418	0.5
72.04505	4.3
81.03400	0.9
82.06552	2.6
84.08125	2.2
85.02841	0.7
97.02866	0.8
100.07619	35.0
110.09671	0.7
112.07598	1.0
114.09145	4.1
127.03893	0.6
130.08673	3.3
137.02338	44.6
155.03380	0.8
160.09662	2.6
170.11757	4.5
188.12808	100.0
201.22375	0.4
272.12891	0.5
316.13519	0.4
348.80435	0.5
350.18073	1.6
507.62238	0.5
581.31537	0.5
693.78271	0.5
824.31750	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03777	8.4
67.05513	81.7
69.07056	35.9
79.05495	56.8
81.07063	94.2
91.05463	52.4
93.07027	100.0
95.08604	46.0
105.07051	15.4
107.08584	56.5
109.10170	32.3
112.08481	8.7
117.07006	15.3
117.82140	10.0
119.08587	19.0
121.10123	20.2
127.01368	8.9
131.08583	17.4
133.10136	21.0
135.08075	9.6
135.11671	19.9
147.11699	9.7
149.13200	10.9
159.11639	10.8
269.17468	21.0
335.25629	67.8
346.38962	9.7
413.39526	10.9
469.13605	11.9
469.20950	9.0
529.39313	67.8
609.44916	21.3
627.45502	38.5
767.25464	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27913	7.3
67.05522	48.1
69.07061	27.6
79.05479	5.9
81.07060	99.6
83.08627	40.7
83.95792	6.1
91.05514	6.6
93.07050	15.7
95.08610	87.6
97.10168	26.7
99.08131	7.0
104.10734	7.2
105.07037	12.3
107.08601	9.6
109.10146	64.3
119.08585	6.5
121.10133	29.0
121.36497	6.5
123.11701	31.3
133.10139	25.9
135.11728	13.0
137.13298	8.3
147.11751	9.0
149.13185	11.2
161.13261	28.6
163.14789	9.7
175.14732	8.0
180.14330	6.7
184.07376	15.6
185.62889	7.1
210.31049	6.7
232.07466	6.4
245.22624	36.6
263.23624	100.0
273.25674	6.5
308.29462	36.0
310.05298	6.5
337.27335	36.1
355.28394	27.0
417.81735	7.4
430.70029	7.3
541.19214	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69367	0.1
67.34171	0.1
84.14772	0.1
118.55402	0.1
125.99293	0.1
145.63084	0.1
196.84346	0.1
219.67963	0.2
220.25282	0.1
243.59019	0.2
249.23244	0.2
281.20886	0.2
294.07574	8.5
322.07080	100.0
342.13376	1.1
379.73337	0.2
450.83597	0.2
504.18481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94173	0.3
63.12041	0.3
88.00220	0.3
128.08876	0.4
135.89073	0.4
166.80792	0.4
218.40425	0.4
243.76581	0.4
290.08157	8.1
302.08093	2.7
304.06021	8.1
318.07593	10.7
319.08380	53.3
320.08679	0.6
334.10721	100.0
335.11023	1.9
346.88550	0.3
825.28625	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94173	0.3
63.12041	0.3
88.00220	0.3
128.08876	0.4
135.89073	0.4
166.80792	0.4
218.40425	0.4
243.76581	0.4
290.08157	8.1
302.08093	2.7
304.06021	8.1
318.07593	10.7
319.08380	53.3
320.08679	0.6
334.10721	100.0
335.11023	1.9
346.88550	0.3
825.28625	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
72.80402	0.3
166.40608	0.3
225.08908	0.3
225.81781	0.3
245.03519	0.3
257.49951	0.4
261.74307	0.3
280.52301	0.3
290.04980	0.4
290.08069	8.7
302.08102	2.4
304.06030	9.2
318.07587	11.5
319.08383	50.9
320.08939	2.5
334.10721	100.0
335.04578	0.4
335.11276	2.4
336.12094	0.7
336.97607	0.3
449.16068	0.4
825.30194	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
112.51955	0.5
141.30025	0.5
202.92690	0.5
290.08035	11.1
302.08185	3.1
304.06015	9.6
308.09326	1.0
318.07602	13.0
319.08389	60.8
320.09094	3.0
321.09641	0.6
322.10870	0.8
334.10742	100.0
335.11017	3.4
336.12088	2.1
337.12820	2.2
352.15552	5.0
353.15793	3.6
404.82813	0.7
622.30750	0.6
810.31586	0.7
825.30072	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83009	0.6
61.66017	0.6
64.11915	0.8
73.84224	0.7
88.27428	0.7
181.30891	0.7
191.04268	0.7
290.08060	9.6
302.08310	1.3
304.05988	9.8
318.07526	12.8
319.08386	62.3
320.09201	1.0
334.10727	100.0
336.12488	1.4
402.11447	0.8
825.30176	38.3
825.74548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15723	0.3
99.54719	0.3
99.60142	0.2
134.90852	0.3
162.98206	0.3
186.95081	0.3
190.06772	0.2
214.07954	0.2
225.22736	0.2
290.08075	9.4
292.09830	1.0
302.08182	3.2
304.06015	9.7
304.09134	0.4
318.07614	13.2
319.08386	57.8
320.09103	12.1
321.09766	3.6
322.10269	0.3
334.10730	100.0
335.11072	3.6
336.12259	17.3
337.12674	0.3
413.37234	0.3
422.52200	0.3
480.69125	0.3
567.38788	0.3
587.01355	0.3
826.26709	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97154	0.3
60.59239	0.3
70.70248	0.3
92.28548	0.4
102.96566	0.5
133.51468	0.4
153.76115	0.4
278.08090	2.1
290.08109	9.6
292.09555	0.6
302.08112	2.6
304.05988	9.2
306.07504	2.2
307.08429	4.0
308.09369	0.5
312.21344	0.5
318.07532	10.2
319.08368	55.4
320.09067	11.3
321.09692	1.0
334.10703	100.0
335.11075	2.5
336.12314	10.8
381.79678	0.4
494.62317	0.5
817.23175	0.5
826.26819	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54240	2.0
69.03430	5.9
73.02908	4.2
81.03409	13.0
83.04993	2.9
85.02904	18.5
85.06561	3.8
86.09286	2.4
91.05484	3.9
95.05003	2.5
97.02884	11.7
99.04456	84.5
109.02893	2.9
118.12431	2.6
119.04932	5.6
127.03944	4.1
144.22278	2.4
147.04419	15.3
161.06010	5.0
163.03833	4.8
163.47372	2.3
167.07019	9.8
175.03926	53.6
175.07486	3.0
177.05501	9.3
178.06235	16.0
179.07106	4.2
181.04924	3.9
181.08505	19.7
191.07004	3.2
192.07870	9.2
193.08618	9.2
195.06567	3.1
205.04964	29.3
206.09322	3.2
207.06519	100.0
209.04526	4.4
209.08051	10.4
211.09679	4.0
219.10223	4.2
221.08136	4.0
223.05972	28.5
231.28903	2.4
233.08035	2.5
245.07950	4.7
247.09665	3.3
259.09674	3.4
275.09033	4.5
291.12347	22.3
307.11630	4.0
308.09558	2.7
309.13345	3.3
319.08405	11.6
320.09073	12.3
334.10657	24.6
335.10928	3.0
336.12280	4.9
337.12772	2.9
399.14404	10.4
411.14511	3.0
429.15256	3.9
435.16766	3.1
450.31769	2.5
453.17325	15.7
501.21155	9.9
535.17938	3.5
826.26147	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21023	1.7
66.53056	2.0
69.03433	7.9
71.05015	2.4
73.02919	3.4
77.59074	1.9
81.03426	17.9
83.04962	2.0
85.02905	17.8
91.05479	4.2
93.78981	2.5
97.02908	5.4
99.04456	87.8
107.08508	2.2
109.02888	2.9
119.04941	13.0
127.03877	5.1
145.02832	2.4
147.04375	17.6
161.05986	8.6
163.03918	4.1
166.06303	2.4
167.07024	17.2
175.03886	62.2
177.05441	13.2
178.06265	11.4
179.07076	3.4
181.04968	3.0
181.08559	16.8
187.07545	3.5
191.07045	11.5
192.07845	2.7
193.08540	7.8
194.09499	2.5
195.10204	3.2
201.09021	5.2
205.04950	51.3
207.06508	100.0
207.09932	2.9
209.08051	13.8
211.07574	3.4
215.06961	2.4
219.06505	19.6
219.10001	3.5
221.08029	11.4
223.06026	13.5
225.07584	3.2
229.08624	17.6
231.06427	2.6
231.10143	8.8
233.07997	20.3
233.11754	2.7
243.10159	3.0
245.08017	3.9
245.11678	3.0
246.08862	4.0
247.09592	10.9
257.07971	3.5
259.09799	3.7
261.07349	2.7
261.11365	21.7
273.11240	3.9
277.10751	3.2
289.10623	14.8
307.11829	12.0
319.08386	13.5
320.09042	11.1
325.12708	13.0
333.09744	2.3
334.10715	23.2
335.11160	3.7
336.12161	4.0
397.12988	9.7
399.14282	10.5
415.13654	2.8
431.13336	3.9
465.14182	2.8
534.82306	2.7
567.20453	8.7
739.77875	2.5
826.28790	10.3
831.30847	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20914	0.7
69.03426	4.9
70.09238	0.8
71.04967	1.1
73.02908	4.1
81.03419	8.0
81.07040	1.3
83.04959	1.6
85.02905	9.6
85.06537	1.0
91.05466	4.0
92.21541	0.9
92.75212	0.8
93.07033	0.9
95.08591	0.9
97.02888	2.0
99.04453	50.4
108.40785	0.8
109.02871	3.7
111.04450	0.8
119.04929	14.5
123.04400	1.0
127.03892	4.8
141.05418	1.4
147.04384	16.0
157.03949	1.6
157.06454	1.0
161.05933	1.2
163.07521	1.2
164.90169	1.0
166.06187	1.0
167.07021	3.4
169.06599	0.9
175.03889	57.2
177.05464	3.2
178.06219	4.9
179.06941	1.6
181.08580	7.7
187.07541	1.4
189.05389	1.1
191.06825	2.8
192.04204	1.9
193.08557	3.7
194.09419	1.0
195.10124	1.3
197.89893	0.8
204.07794	1.4
205.04984	12.2
205.08559	1.3
207.06508	100.0
207.10092	4.4
209.06247	1.0
209.08133	3.3
211.09630	1.0
213.09076	3.5
215.06987	1.4
219.06557	5.0
219.10187	1.7
221.08044	4.7
223.09656	1.7
229.08595	3.8
231.06480	7.4
231.10085	1.0
233.08060	1.8
235.09673	3.5
241.08578	1.7
245.08063	1.4
245.11743	1.7
247.09593	4.7
257.08038	1.0
259.09805	1.9
261.11182	3.3
273.07608	3.5
273.11157	7.8
275.09055	0.9
277.10687	1.5
289.10678	1.8
315.08615	3.5
319.08231	4.7
320.08966	4.2
325.12750	4.2
334.10764	10.0
335.11130	1.7
337.12756	0.9
355.13864	1.1
381.13522	1.1
399.14548	3.3
417.15567	1.2
449.14276	1.4
467.15268	1.5
537.22784	1.3
545.31396	0.9
614.49384	1.1
641.21936	1.1
644.68365	0.9
659.22729	1.6
826.27673	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.5
67.05507	0.8
68.99784	0.5
69.03427	6.8
71.04994	1.9
73.02906	2.2
74.79962	0.3
74.96507	0.3
79.05481	0.8
81.02942	0.7
81.03424	14.5
81.07082	0.6
83.04975	1.8
85.02908	15.0
85.06560	0.8
91.05472	3.4
92.08132	0.4
93.07047	0.7
95.04976	1.7
97.02895	9.7
99.04458	100.0
103.03973	0.4
105.07037	0.6
107.04957	2.3
109.02884	4.9
109.06525	0.8
111.04475	0.4
113.06006	0.4
117.03363	0.5
117.05488	4.1
119.04935	5.6
121.06499	0.8
123.04423	3.5
123.08053	0.6
124.05285	0.4
125.06004	0.6
127.03922	6.5
131.04884	0.8
133.06479	0.8
135.04449	2.6
136.34665	0.3
137.06020	1.4
139.07552	0.7
140.04663	0.4
141.05479	0.8
145.02931	3.7
145.03848	0.5
145.04929	3.2
145.06487	1.7
147.04414	8.0
149.05988	2.4
151.07564	1.7
153.05547	0.5
155.07083	0.5
159.08020	0.7
161.05994	1.8
162.03062	0.5
163.03893	8.7
164.04686	0.7
166.06287	2.1
167.07025	11.1
167.08353	0.6
169.06497	0.5
173.05931	0.9
173.09621	0.6
175.03902	22.0
175.07608	0.8
176.08363	0.4
177.05432	6.5
178.06247	8.7
179.07060	5.0
180.04189	0.4
181.04959	1.9
181.08591	12.8
183.06621	0.8
183.08122	1.7
185.09607	0.7
187.07536	1.7
188.08286	1.3
189.05460	0.4
189.09145	0.7
190.06271	0.7
191.03430	3.9
191.07043	7.2
192.04153	0.8
192.07834	2.1
193.08618	3.3
194.09444	3.0
195.06499	4.5
195.08157	0.5
195.10103	0.9
198.06821	0.4
199.07536	0.5
201.09160	2.7
203.06969	0.6
204.07823	2.2
205.04961	12.8
205.08542	4.0
206.09438	1.9
207.06525	41.6
207.10190	3.0
209.04500	1.5
209.08061	7.2
211.07545	1.5
211.09499	0.8
213.08987	2.5
215.07152	0.6
216.07939	0.8
217.08574	1.5
218.09326	0.5
219.06538	4.5
219.10051	3.4
220.07317	0.6
221.08031	4.2
221.11580	0.5
223.06000	37.9
223.09651	1.7
225.07513	4.5
226.06317	0.4
227.07033	0.6
228.07837	0.8
228.11473	0.8
229.08620	2.6
229.10612	0.5
231.06519	0.6
231.10118	3.0
233.08098	2.9
233.11766	2.1
235.09581	4.1
241.08925	0.5
242.09370	0.7
243.06453	0.6
243.08612	2.2
244.11035	0.6
245.08052	3.4
245.11795	2.1
246.08934	0.7
247.09584	3.7
247.13414	0.7
249.07535	0.9
249.11259	1.3
257.08096	1.7
258.09079	0.7
259.09729	5.4
259.13348	2.4
261.09326	5.6
261.14017	0.4
263.09195	3.0
265.10638	0.8
271.09601	0.7
273.11185	2.6
275.09140	4.3
277.10773	3.3
277.14386	1.6
279.12439	0.5
289.10580	2.8
291.09045	0.6
291.12180	4.3
299.09402	0.7
301.10648	2.8
307.11966	2.5
309.13287	3.8
313.11008	0.5
319.08261	0.6
319.11746	1.6
320.09500	0.4
327.14453	3.1
334.10770	1.8
337.12784	2.3
345.15674	0.8
352.15506	0.6
353.15924	0.6
359.15009	0.9
365.10156	0.4
397.12820	8.2
399.09225	0.6
399.14258	6.8
411.14346	1.6
417.15268	5.1
429.15512	4.7
433.11295	0.5
435.16422	2.5
447.16376	0.4
453.17606	6.6
465.14029	0.9
483.19852	1.6
495.20395	0.4
501.21063	5.5
507.18796	1.4
513.21326	0.5
535.18317	0.8
551.21057	0.8
623.21228	0.5
641.22882	1.1
659.23157	0.8
761.30206	0.6
791.30658	0.5
826.26801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60635	0.4
67.75830	0.5
69.03418	0.9
85.02890	5.2
92.21523	0.6
96.03277	0.5
97.02903	0.9
97.66351	0.5
99.04472	0.7
100.57326	0.6
107.04955	73.4
115.05431	0.6
121.06481	2.2
127.03925	0.8
137.05977	11.9
143.04901	5.9
145.06502	11.2
151.07523	3.5
163.07513	2.8
175.07527	27.6
178.08621	0.6
194.07243	0.6
209.09596	8.7
237.09116	16.7
254.09476	0.6
269.08667	1.2
269.11703	84.6
286.14368	28.1
448.19656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.8
73.02931	1.6
77.16058	1.4
81.03424	15.6
81.07085	2.1
85.02900	14.2
85.03352	1.5
91.05518	1.6
95.04989	2.0
97.02904	7.2
99.04460	100.0
109.02872	2.8
111.13117	1.4
117.05478	2.0
119.04939	6.4
121.06478	2.2
123.04440	2.0
127.03939	5.9
133.06468	1.6
145.02837	2.0
145.04951	2.1
147.04446	10.9
149.06035	1.6
161.06036	2.3
163.03915	6.9
166.06248	2.6
167.07033	11.7
173.06062	1.9
175.03897	28.7
175.07512	2.4
177.05466	9.9
178.06223	10.7
179.07019	5.6
181.05048	1.5
181.08597	15.8
190.67764	1.5
191.03416	3.4
191.07022	5.8
192.07784	9.8
193.08611	3.1
195.06522	3.4
195.10246	1.6
201.09105	1.9
205.04976	11.8
205.08656	1.7
207.06516	55.9
207.10043	3.3
209.08182	5.9
211.07581	2.0
213.09021	2.5
219.06537	2.7
219.10190	2.6
221.08067	6.2
223.06015	37.4
223.09673	7.8
225.07626	6.6
229.08612	2.0
233.11644	1.8
235.09441	1.7
243.08490	4.8
245.08134	2.8
245.11674	2.5
247.09747	4.4
259.09631	3.0
261.09760	8.0
263.09122	2.1
273.11099	2.1
275.09195	3.0
289.10727	2.0
289.56039	1.5
291.12268	2.9
301.10663	1.7
304.06244	1.6
309.13211	2.5
318.07693	3.3
319.08453	13.3
320.09116	10.0
327.14545	1.9
334.10797	28.3
335.11133	3.4
336.12219	5.7
337.12869	2.5
345.00977	1.6
397.12787	6.9
399.14426	6.8
417.15295	6.7
429.15491	10.0
453.17569	8.4
466.27090	1.8
501.21075	5.6
578.17700	1.7
659.23132	1.7
826.26697	2.0
834.24872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.5
73.02898	1.4
85.02896	2.1
97.02901	2.3
97.98861	1.3
99.04458	5.4
109.02876	4.5
113.98708	0.9
119.04903	1.5
127.03913	1.9
147.04379	1.6
153.06999	1.1
167.07051	2.3
169.06511	1.7
171.08047	1.7
175.03894	14.5
177.05344	1.4
178.06242	4.4
181.04929	1.6
181.08582	6.1
181.43791	1.3
187.07559	4.7
191.07080	1.2
197.05991	1.7
199.07536	2.6
205.04991	5.2
207.06534	37.5
208.06848	1.7
209.08076	4.2
215.07043	7.0
217.06927	1.5
219.10126	4.3
223.05978	1.6
225.07478	1.4
227.07077	1.6
231.10114	2.4
231.68636	1.3
233.11798	2.1
243.06514	17.2
245.08028	1.3
247.09560	1.4
259.09958	1.7
271.05902	10.8
275.09158	8.7
277.10840	1.6
277.14526	1.2
281.10123	1.5
282.41367	1.3
290.08066	8.9
292.09625	5.1
303.08627	33.1
304.06046	7.3
305.10175	4.5
307.08453	1.7
318.07547	8.8
319.08392	46.2
320.09155	100.0
321.09708	9.2
322.10858	1.4
334.10736	90.3
335.11105	5.8
336.12268	33.7
337.12634	1.6
338.13654	1.8
395.64764	1.1
465.13962	4.2
467.15564	4.1
515.19098	2.1
593.84344	1.3
637.07318	1.6
659.23840	4.1
826.26672	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38420	1.2
61.47259	1.3
69.03438	2.7
79.05500	1.9
81.03430	2.8
83.65439	1.5
83.87827	1.3
85.02906	3.2
91.05486	1.6
95.04944	2.1
97.02894	5.9
99.04471	14.8
105.07138	1.4
127.03952	2.5
128.06253	1.7
139.07539	18.2
143.08578	3.8
145.06522	2.5
147.04431	3.1
147.91483	1.6
149.05980	1.9
153.07147	1.9
155.07111	7.0
158.07198	1.8
158.37479	1.6
159.08018	1.6
161.05986	2.0
166.06258	2.3
167.07059	3.1
169.06461	7.5
170.51422	1.6
171.08018	12.3
173.06013	7.6
173.09619	2.1
175.03896	11.8
175.07521	2.5
176.08266	2.3
177.05457	2.2
178.06299	11.4
179.07053	9.8
181.04991	11.6
181.08624	20.9
187.07597	7.0
187.47023	1.5
188.08357	2.5
189.09100	3.0
191.07022	7.0
192.07823	7.3
193.08621	2.7
194.09401	6.7
195.10150	6.5
197.05827	1.7
199.07487	13.2
201.08981	3.5
202.75142	1.5
203.07005	2.0
203.10628	2.6
204.07806	3.2
205.04964	18.4
205.08575	2.1
206.09290	2.2
207.06516	62.8
207.10153	8.2
208.07271	2.7
209.08124	13.4
211.09581	2.6
215.07034	8.2
216.07779	2.7
217.08586	3.1
218.09497	2.0
219.10143	23.7
220.07280	2.4
221.08125	6.1
223.06035	34.4
223.09613	7.9
225.07480	21.6
231.06584	2.8
231.10286	11.1
233.08066	2.5
233.11705	14.7
235.09677	11.2
243.06502	16.2
245.08064	8.9
247.09593	11.3
247.13310	2.4
249.07538	1.9
249.11269	2.8
259.09583	3.4
259.13315	6.4
263.09064	3.1
270.66852	1.8
271.05972	6.0
275.09131	100.0
277.10806	23.3
277.13980	2.9
290.08112	3.4
303.08627	35.0
304.06046	2.9
305.10156	3.4
307.11703	3.4
309.11145	1.7
318.07501	6.0
319.08432	23.8
320.09140	23.6
321.09665	37.5
323.11221	15.1
334.10745	52.4
335.11044	3.2
336.12225	14.3
337.12845	2.6
355.13922	17.5
367.13913	3.0
387.14322	3.5
389.15805	10.5
405.15451	34.4
407.16956	3.0
469.17200	1.8
497.18317	1.9
515.19080	19.9
538.98065	1.8
581.23676	6.8
599.24585	13.0
611.48376	1.9
826.26929	17.9
842.56366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70009	0.9
69.47867	0.8
79.92445	0.8
83.32282	0.9
91.05479	1.3
93.57947	0.9
95.08624	1.5
102.18745	0.8
105.07000	1.4
119.08588	1.5
120.08123	1.3
123.07288	0.9
124.72426	1.0
155.64885	0.9
158.56146	0.9
197.17644	0.9
264.13885	3.8
278.08148	5.5
291.08975	1.3
297.17337	3.8
306.07654	14.6
307.08411	3.5
316.09644	1.1
318.07730	2.0
319.08447	1.8
320.05536	20.2
322.10803	2.1
334.07059	6.1
334.10617	1.1
335.07858	25.5
342.07574	1.0
344.09018	6.3
345.10141	7.6
350.10233	100.0
350.56775	1.0
354.67899	0.9
360.12259	26.2
371.07397	1.2
381.04147	0.9
386.10339	7.8
388.22717	5.2
404.11353	4.1
406.23868	4.8
454.68082	1.0
459.31122	1.1
809.33685	1.7
827.35321	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34668	0.6
91.34089	0.6
132.36525	0.6
183.52885	0.6
186.30437	0.7
285.54916	0.6
290.08154	4.3
292.09653	4.0
302.08148	1.4
304.06009	4.5
318.07532	5.4
319.08414	38.0
320.09271	4.8
321.09988	10.3
334.10739	100.0
335.11316	0.9
336.12296	62.6
348.74374	0.7
717.25635	0.7
752.63269	0.7
752.94128	0.8
796.26147	3.2
828.29065	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59451	0.2
69.03373	0.3
92.21558	0.5
132.42488	0.3
137.02678	0.3
199.51419	0.3
276.06592	0.3
276.41495	0.3
290.08072	5.4
302.08084	1.4
304.06024	7.0
315.42075	0.3
318.07574	7.5
319.08380	43.3
320.09085	2.2
322.10815	0.6
334.10709	100.0
335.10965	0.6
336.12241	1.7
372.12375	1.1
386.09915	0.3
400.11307	0.4
418.13412	0.3
464.13303	0.5
593.87244	0.3
828.30682	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	2.1
83.43437	1.0
91.05482	1.6
103.05470	1.8
107.04951	4.9
107.44041	0.9
117.06986	1.7
119.04944	2.0
121.06541	2.1
125.05973	1.5
131.04912	7.3
132.72624	1.1
133.02856	10.0
133.06516	1.5
135.04393	1.4
137.05998	8.4
143.04950	1.1
145.06497	7.9
147.04439	5.6
147.08063	1.5
148.05214	1.5
149.05969	4.7
151.03905	2.2
151.07581	7.4
153.05441	4.5
157.06323	1.0
161.05971	5.6
163.07596	2.5
165.05467	8.9
167.07037	100.0
173.05969	22.7
175.07497	1.7
179.07001	1.2
181.04955	45.7
188.08324	1.2
188.48370	1.1
189.05482	1.2
189.09245	1.7
190.06219	1.5
191.07045	23.7
201.05576	1.4
203.07069	11.3
205.08640	11.9
209.08072	1.4
217.08650	5.2
233.08107	7.8
234.08995	1.1
235.09648	7.5
237.08952	1.3
241.08400	2.3
247.09671	4.8
255.10176	2.5
267.10056	1.6
269.42682	1.2
277.08560	1.7
281.12079	1.3
297.11111	1.4
309.11288	2.0
313.10849	1.2
315.12286	1.7
320.09235	8.8
327.12277	6.6
329.10220	4.9
334.10791	2.2
336.12305	4.3
355.11594	1.2
369.13055	1.1
385.12747	1.6
387.14371	6.2
415.14081	1.4
416.14667	15.1
417.00537	1.4
417.15469	42.7
480.60504	1.3
497.30841	1.2
565.20691	90.8
570.60480	1.4
577.20471	1.7
595.21753	7.3
613.22552	6.6
715.27704	2.1
828.29504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	2.1
83.43437	1.0
91.05482	1.6
103.05470	1.8
107.04951	4.9
107.44041	0.9
117.06986	1.7
119.04944	2.0
121.06541	2.1
125.05973	1.5
131.04912	7.3
132.72624	1.1
133.02856	10.0
133.06516	1.5
135.04393	1.4
137.05998	8.4
143.04950	1.1
145.06497	7.9
147.04439	5.6
147.08063	1.5
148.05214	1.5
149.05969	4.7
151.03905	2.2
151.07581	7.4
153.05441	4.5
157.06323	1.0
161.05971	5.6
163.07596	2.5
165.05467	8.9
167.07037	100.0
173.05969	22.7
175.07497	1.7
179.07001	1.2
181.04955	45.7
188.08324	1.2
188.48370	1.1
189.05482	1.2
189.09245	1.7
190.06219	1.5
191.07045	23.7
201.05576	1.4
203.07069	11.3
205.08640	11.9
209.08072	1.4
217.08650	5.2
233.08107	7.8
234.08995	1.1
235.09648	7.5
237.08952	1.3
241.08400	2.3
247.09671	4.8
255.10176	2.5
267.10056	1.6
269.42682	1.2
277.08560	1.7
281.12079	1.3
297.11111	1.4
309.11288	2.0
313.10849	1.2
315.12286	1.7
320.09235	8.8
327.12277	6.6
329.10220	4.9
334.10791	2.2
336.12305	4.3
355.11594	1.2
369.13055	1.1
385.12747	1.6
387.14371	6.2
415.14081	1.4
416.14667	15.1
417.00537	1.4
417.15469	42.7
480.60504	1.3
497.30841	1.2
565.20691	90.8
570.60480	1.4
577.20471	1.7
595.21753	7.3
613.22552	6.6
715.27704	2.1
828.29504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72793	1.4
65.03934	3.6
72.22017	1.7
75.16797	1.9
85.57634	1.8
87.15058	2.0
91.05463	2.7
93.03416	2.8
95.04949	4.5
103.05465	1.9
105.07030	4.1
107.04935	7.7
107.55634	1.8
110.03689	2.9
111.04440	8.9
121.02869	4.2
121.06524	2.0
123.04424	11.9
123.84731	2.1
125.05988	12.3
129.06987	2.4
131.04936	2.6
133.06473	4.5
135.90332	2.0
137.06000	10.0
138.11304	1.7
145.06541	2.4
147.04485	3.4
149.05949	3.4
151.03932	2.2
151.07561	14.8
153.05476	38.3
155.06999	3.6
159.08035	7.8
161.05965	19.3
163.03941	3.1
163.07538	3.0
165.05403	3.0
167.07036	84.9
175.07571	21.4
177.05470	7.8
177.09181	1.9
179.07065	7.8
181.04974	9.6
181.08521	2.5
187.07510	25.6
189.09143	2.3
191.07010	15.6
191.08549	2.2
193.08583	2.7
199.07530	8.4
207.06529	6.9
207.51685	2.3
209.08028	10.5
219.08168	3.2
221.09665	2.4
225.07410	2.2
235.07452	2.4
236.08318	2.1
239.10686	2.6
247.07353	3.5
247.09665	2.6
248.08334	2.4
249.09048	11.0
251.10622	6.7
253.08543	7.1
261.08975	3.2
264.07803	3.6
267.10233	3.1
269.11777	2.8
275.10205	2.1
277.08667	4.2
278.09219	2.5
279.10193	8.4
281.11780	15.9
289.08490	7.2
290.09039	2.4
291.10214	2.0
294.08868	2.7
295.09579	10.0
297.11243	2.7
299.12714	3.5
307.09570	10.6
308.10333	3.8
309.11240	15.0
309.22113	2.2
311.09167	2.5
311.12747	8.6
312.09671	2.1
313.10657	4.2
319.08426	9.0
320.09149	10.7
321.11111	8.8
325.10764	20.8
326.11560	6.9
327.12177	7.2
329.14014	4.4
334.10855	16.7
336.12198	11.5
337.10696	12.7
339.12225	46.2
340.12555	2.2
341.13828	34.4
351.12241	8.9
353.13745	11.1
355.07416	3.9
355.11743	100.0
357.13208	30.9
359.14951	4.1
369.13257	9.4
371.14758	14.3
383.14883	3.8
387.14328	9.0
395.15057	3.1
487.17227	2.2
511.17825	2.3
517.18384	8.6
521.17950	2.2
529.18353	2.6
535.19397	9.1
565.20392	8.4
828.27454	10.0
853.26611	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25273	1.0
65.03945	5.5
79.05501	1.9
91.05487	2.0
93.03398	4.9
95.04969	6.9
98.30559	1.1
103.03981	1.1
103.05470	1.7
105.07048	4.7
105.19311	1.3
106.04177	1.4
107.04946	13.7
110.03674	4.8
111.04436	9.8
113.49126	1.1
119.04937	1.5
121.02862	5.8
121.06501	5.7
123.04444	10.3
125.05974	8.4
129.07019	4.4
131.04929	6.6
133.02823	1.8
133.06480	8.0
135.04395	2.2
137.05995	14.2
140.04654	3.0
145.06464	2.2
145.09070	1.3
147.04437	2.1
147.07983	1.8
149.05983	7.0
151.04018	1.7
151.07547	13.4
153.05460	42.2
155.06999	6.6
159.08095	8.4
161.05962	17.8
163.03864	5.2
163.07585	1.8
165.05461	2.7
166.06265	2.4
167.07040	87.3
168.53717	1.1
172.05127	2.1
175.07527	27.2
177.05486	8.5
179.07004	7.5
181.04974	13.2
181.08562	1.4
183.06573	2.8
187.07553	25.7
191.06978	12.7
193.08698	2.1
199.07512	7.0
200.79309	1.4
205.08481	1.6
207.06528	6.4
207.08237	1.7
209.08054	9.2
216.07948	1.6
217.08632	2.6
219.08104	2.6
221.09654	2.3
225.07527	2.5
234.06766	1.6
235.07507	1.3
236.08286	1.5
247.07381	3.4
247.09735	3.0
249.09251	9.6
251.10672	4.8
253.08611	5.1
254.09499	1.4
259.73929	1.3
261.09207	5.9
264.07770	5.1
265.08606	4.5
266.09576	2.4
267.10114	6.0
268.07047	1.4
269.11725	3.0
275.07181	1.9
277.08539	8.5
279.10150	9.6
281.08334	2.3
281.11697	14.0
283.09796	2.0
284.10477	1.8
289.08560	6.8
291.10120	4.6
293.08401	1.2
293.11807	2.9
294.08762	6.2
295.09744	8.4
296.10367	1.9
297.11166	4.8
299.12772	2.4
303.10236	1.6
306.08890	1.6
307.09662	9.5
308.10452	2.1
309.11151	16.7
311.09369	1.9
311.12772	7.5
313.10669	2.6
319.09030	5.7
320.09247	8.3
321.10992	6.6
323.12808	3.1
325.10751	20.1
326.11459	5.7
327.12350	8.4
329.13925	8.7
334.10831	8.6
336.12747	5.5
337.10614	19.0
339.12265	43.9
340.12854	1.8
341.13834	28.2
351.12219	7.3
353.13858	13.6
355.11765	100.0
357.13336	28.4
367.11664	7.6
369.13333	9.6
371.14984	13.9
383.14926	6.6
387.14294	8.1
395.14737	1.7
399.14362	2.4
487.17682	2.2
499.17596	1.8
507.31293	1.5
517.18353	7.7
529.18390	5.7
535.19513	6.3
547.19427	1.8
565.20667	7.9
583.21509	1.7
595.21497	2.4
828.26587	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06538	0.3
58.16565	0.3
61.67117	0.3
70.77161	0.3
94.52812	0.3
96.29128	0.3
216.96144	0.3
231.53304	0.3
290.08078	1.9
304.06049	1.9
318.07629	2.4
319.08365	21.0
320.09213	0.6
321.09811	0.3
334.10724	100.0
335.11179	0.3
336.12262	0.7
496.98596	0.3
573.63159	0.4
595.34253	0.4
652.32507	8.0
777.35760	0.4
828.35980	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06560	0.5
71.96713	0.3
85.22243	0.3
108.74359	0.3
119.41530	0.3
268.31198	0.4
276.06540	0.4
290.08087	1.6
302.07977	0.5
304.05984	1.5
318.07605	2.6
319.04648	0.6
319.08377	19.3
320.09116	1.5
321.09589	0.4
334.10718	100.0
336.12204	0.5
452.82196	0.3
508.78079	0.3
530.04761	0.3
535.82855	0.3
652.32599	6.8
688.62579	0.3
733.74402	0.3
785.79913	0.3
828.35938	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	54.9
67.05509	20.4
69.03414	4.1
69.07058	2.4
69.98572	2.1
73.02922	19.5
79.05485	19.8
81.07069	25.5
82.04727	2.3
85.02907	76.0
85.06526	3.5
91.03957	83.8
91.05480	9.3
93.07034	30.7
95.08585	20.1
95.09112	2.4
97.02888	37.7
98.33031	2.1
99.04475	3.5
99.08047	3.7
105.07001	5.6
107.08602	19.3
109.10152	19.3
111.08055	3.3
111.64262	2.4
117.07008	5.4
119.08585	10.5
121.10139	31.8
123.11694	13.7
127.03868	22.2
131.08533	5.2
133.10138	15.1
135.11693	38.2
144.65501	2.5
145.04977	40.8
145.10164	17.4
147.11702	11.2
149.13220	22.3
159.11696	13.3
161.13217	2.6
163.06009	60.1
173.13231	10.5
187.14796	3.5
205.19496	3.8
215.17921	40.8
233.18990	65.0
307.22531	4.1
325.11264	29.8
325.23706	100.0
336.12207	14.5
469.28064	3.3
831.30902	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	48.7
67.05502	22.5
69.03429	4.7
69.07069	3.8
71.04979	3.4
73.02913	16.9
78.57364	0.5
79.05489	19.2
79.05916	1.1
81.03407	2.5
81.07056	26.1
83.05003	0.8
83.08611	4.0
85.02900	77.9
85.06540	4.3
87.04473	0.8
91.03947	81.0
91.05466	7.9
92.21540	0.7
93.06574	0.8
93.07034	29.2
95.04943	2.3
95.08598	19.9
97.02890	34.5
97.06520	2.0
97.10156	1.2
99.04457	4.3
99.08082	4.1
99.48078	0.5
103.03918	1.1
105.07027	7.5
107.08589	20.6
109.02884	1.1
109.06529	1.3
109.10148	18.7
111.08044	2.9
111.11663	0.6
113.09642	2.3
115.03917	5.5
116.99416	0.5
117.05504	0.5
117.07009	5.2
119.08562	10.7
121.10130	32.3
123.08030	0.9
123.11703	10.5
125.09606	3.1
127.03907	21.9
131.08548	11.6
133.10123	15.5
135.11682	36.7
137.09636	1.9
137.13260	2.6
139.11198	0.7
145.04950	35.6
145.10114	14.3
147.11679	12.1
149.09610	3.4
149.13245	18.7
149.14438	0.6
151.11131	2.4
153.12714	0.6
154.22206	0.5
159.11674	16.2
161.13235	2.4
163.05998	56.3
163.11218	2.1
171.11655	0.6
172.12357	0.6
173.13240	12.6
175.14841	0.9
177.12773	1.0
180.22850	0.5
187.14713	4.4
189.16405	2.1
205.15845	1.0
205.19402	4.8
215.17929	41.7
216.68204	0.5
233.18979	64.3
235.20552	0.9
241.06996	0.8
251.20044	0.9
269.17538	0.8
307.22647	11.9
321.09882	0.7
325.11249	22.3
325.23703	100.0
336.12299	2.4
342.61813	0.6
469.28003	3.8
487.29022	2.4
687.09222	0.8
828.41492	0.7
864.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.7
69.07055	8.1
71.08621	16.2
77.21564	3.4
81.07066	3.9
83.08621	61.9
85.02885	3.8
85.10184	6.9
91.03950	3.9
91.08176	5.2
95.08594	9.0
103.80118	3.6
109.10154	16.3
111.08064	29.8
126.79770	3.8
129.09114	6.7
157.08580	24.2
175.09650	43.7
184.07346	18.7
187.96004	4.0
190.92300	4.0
213.11215	100.0
218.56317	4.7
226.90910	4.9
231.12257	69.8
245.28281	4.3
313.27332	76.3
320.09210	17.4
469.35150	57.5
487.36523	11.9
728.42639	4.2
828.41412	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35945	1.2
62.20422	1.2
64.70476	1.2
67.05491	2.3
68.99770	1.9
69.03421	9.1
71.04996	2.1
73.02914	11.0
78.73875	1.4
79.05490	1.9
81.03012	1.3
81.03413	13.1
85.02906	10.1
91.05471	6.3
95.04974	3.6
97.02888	7.7
99.04469	13.9
102.01904	5.9
107.04958	2.5
109.02880	16.5
115.03925	11.5
117.03365	2.5
119.04944	9.1
123.03540	1.2
123.04404	10.9
127.03899	23.7
131.04967	1.5
135.04414	5.7
139.07524	2.3
140.04710	2.3
145.02881	11.4
145.04951	3.5
147.04378	11.7
148.05261	2.0
149.05945	6.2
153.05479	3.0
155.07036	2.2
159.08018	1.8
161.05991	2.0
162.03082	2.7
163.03883	15.7
166.06226	1.5
167.07051	27.1
167.08401	2.3
172.04831	1.4
173.05984	3.3
173.09570	1.8
175.03920	21.2
175.07541	1.7
176.08301	2.7
177.05490	23.2
178.06273	10.3
179.06915	10.2
180.04085	2.3
181.04955	2.9
181.08582	24.1
185.09692	1.5
187.07396	1.5
189.09145	1.8
190.06244	1.5
191.03397	10.9
191.07018	59.6
191.08743	2.8
192.04280	1.7
192.07828	8.1
193.08546	11.9
194.09482	3.1
195.06505	13.1
195.10164	10.0
196.10909	3.6
199.06023	6.0
200.30702	1.5
201.09070	3.3
203.06908	2.3
204.07791	1.7
205.04967	58.6
205.08582	8.5
206.09395	7.4
207.06531	41.1
207.10136	6.8
209.08002	2.8
213.09007	2.9
217.08562	5.4
219.10196	5.3
220.07249	2.9
221.08093	9.7
223.06009	100.0
223.09615	8.3
224.10400	10.3
225.07478	3.2
228.11563	1.9
229.08586	2.4
231.10280	6.5
233.11818	4.9
235.09636	7.4
242.09537	1.5
245.11682	3.2
247.09637	3.1
257.08035	1.9
259.09622	9.5
259.13403	3.2
261.11197	10.1
261.14780	1.8
273.11084	2.6
277.10712	13.5
277.13672	1.5
279.12231	25.5
289.10754	11.5
289.14063	1.5
291.12216	3.6
301.10660	1.5
307.11740	25.1
308.10513	1.7
319.08276	2.5
320.09146	2.9
334.10727	11.8
335.11035	6.4
336.12546	2.2
347.96085	1.5
397.12723	3.5
399.14322	10.8
411.14233	5.7
415.13870	6.4
429.15228	7.6
438.13974	3.0
456.15005	7.5
501.21375	1.9
570.18146	29.4
721.28247	1.8
743.04877	1.6
829.35034	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.1
67.05523	1.9
68.46511	1.7
69.03466	1.9
73.02929	1.6
79.05496	3.2
80.44941	1.4
81.07074	2.5
85.02921	3.6
85.19195	1.5
91.05455	2.0
93.07059	3.4
95.08618	2.7
97.02896	3.9
105.07056	4.0
107.08655	2.2
122.80538	1.6
127.03962	1.9
133.10182	2.4
243.08473	3.3
356.39038	2.0
535.28992	15.9
648.89594	2.0
682.41095	2.0
829.50739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6331
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92601	0.6
63.40955	0.7
67.05503	17.1
69.07063	8.1
75.83994	0.7
79.05493	14.5
81.07057	23.0
83.08624	8.0
91.05473	9.5
93.07044	23.7
95.04984	1.6
95.08601	23.1
97.06565	0.9
97.10176	4.8
105.07030	13.6
107.08594	16.9
109.06548	1.1
109.10155	12.9
117.07027	8.6
119.08572	17.0
120.61801	0.9
121.06500	0.8
121.10143	13.4
123.08092	0.9
123.11734	3.6
125.09686	0.9
129.07011	5.6
131.08565	12.2
133.10141	14.4
135.11673	9.8
143.08551	7.5
145.10126	13.5
147.11676	6.4
149.13226	6.5
151.14970	0.8
155.08595	3.8
157.10112	9.8
159.11665	11.8
159.98180	0.8
161.12054	1.0
161.13181	5.8
163.11284	1.3
163.14943	1.0
167.08624	0.9
169.10141	7.1
171.11661	9.5
173.13222	8.1
175.14822	1.9
177.12846	1.0
179.08688	0.8
181.10204	1.6
183.11659	8.9
185.13319	7.3
185.14786	0.8
185.70354	0.8
187.14792	3.0
193.10204	0.9
195.11795	4.7
197.13243	7.0
199.14854	4.4
201.16364	1.5
203.39664	0.7
209.13342	4.1
211.14915	4.7
213.16457	3.9
221.13286	1.4
223.14905	1.8
225.16359	1.5
225.57732	0.8
227.17957	1.5
235.14851	1.7
235.16991	0.9
239.17937	1.0
275.20148	1.1
277.21609	11.9
290.27097	1.4
313.25177	1.0
315.23264	1.1
321.09592	1.5
327.23026	0.9
331.26358	0.9
336.12390	1.6
341.24744	1.4
351.23413	1.0
357.28220	1.1
359.29742	1.5
365.25241	1.5
369.27945	1.2
371.29663	1.8
383.29391	1.1
443.32755	1.0
445.32724	1.3
459.34686	1.6
471.34338	1.5
483.35123	1.3
551.40930	3.4
553.42737	3.7
659.50378	0.9
811.61542	3.6
829.63336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	23.6
67.12193	1.3
69.05800	1.2
69.07077	13.7
73.16853	1.1
75.89636	1.3
79.05485	13.8
81.07061	29.1
83.08638	10.1
85.06545	2.3
85.37042	1.4
86.01054	1.2
91.05484	9.1
92.21543	2.1
93.07044	24.0
95.08615	28.0
95.85641	1.1
97.10207	5.7
105.07030	16.9
107.08594	22.8
109.10146	12.2
117.07040	6.7
119.08591	18.1
121.10138	15.9
123.11759	2.2
125.09684	1.7
129.06998	2.3
131.08569	12.3
133.10155	17.3
135.11693	11.2
143.08636	7.5
145.10153	15.8
147.11641	11.8
149.13289	6.7
150.68242	1.2
155.08595	5.4
157.10097	9.2
159.11697	10.8
161.13278	6.9
163.14816	2.0
169.10201	7.5
171.11792	6.9
173.13274	10.9
175.14763	1.3
181.10173	3.2
181.90294	1.3
183.11702	8.9
185.13350	7.8
187.14900	2.1
189.16379	1.3
195.11632	4.9
197.13353	5.3
199.14948	2.1
201.16460	2.5
209.13365	2.9
211.14891	3.2
213.16476	1.8
221.13461	2.6
222.54587	1.3
227.18170	1.5
237.16496	5.0
275.20230	2.2
277.21710	15.2
303.23734	1.5
317.25113	1.7
336.12363	5.1
371.29507	1.6
383.29636	2.0
471.34802	1.6
485.36560	1.5
551.40991	2.5
553.42523	1.9
829.63489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
75.22012	0.3
77.85471	0.2
92.20931	0.4
97.02865	0.3
143.71806	0.3
160.01843	0.2
161.70596	0.3
191.06778	0.3
196.44644	0.3
216.16901	0.3
217.08563	0.3
292.09647	7.1
304.09827	0.3
306.07697	2.2
320.09210	9.1
321.09961	26.5
334.10770	1.4
336.12299	100.0
337.13025	0.5
338.13730	0.6
355.43002	0.3
596.20245	0.3
709.24609	0.4
798.28162	0.5
830.31329	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66906	0.2
71.78355	0.2
78.69314	0.3
81.07046	0.3
84.91899	0.2
90.06451	0.2
91.59667	0.2
92.20885	0.5
95.04977	0.4
115.38669	0.2
123.04317	0.3
137.05974	0.7
147.04420	0.3
151.07524	0.5
153.05394	0.4
161.05975	0.4
167.07027	2.7
181.04984	0.3
181.08568	1.3
189.09036	0.4
191.07005	0.4
207.06506	0.5
237.30925	0.3
253.08495	0.5
285.11075	0.3
292.09637	6.3
304.09744	1.2
306.07507	2.3
313.10849	0.4
319.08334	0.5
320.09161	7.9
321.09933	26.1
322.10379	0.3
327.12253	1.0
334.10709	2.3
336.12277	100.0
337.12659	1.8
338.13666	1.4
339.12393	0.3
340.12045	0.5
341.13599	0.3
357.13293	4.0
359.14801	2.1
361.16461	0.4
371.14850	0.5
401.15942	0.6
597.23352	0.4
607.73004	0.3
613.24457	0.3
798.29895	0.3
830.31073	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	1.1
61.00609	0.6
69.01375	0.6
71.96549	0.6
73.61089	0.7
75.97649	0.6
95.98954	0.8
96.67332	0.7
105.07043	1.0
121.06494	1.2
126.56328	0.8
133.06464	1.2
147.04381	1.5
148.05182	1.4
159.08043	1.7
160.05179	1.1
161.05957	6.0
164.12280	0.7
165.09230	0.7
166.06255	12.3
171.08031	3.5
175.03889	1.7
175.07555	4.7
181.08586	56.3
187.07553	1.0
190.06245	16.6
191.06982	1.6
193.08594	0.9
199.07541	29.0
201.15132	0.8
205.08611	47.0
206.09381	1.6
207.06552	3.3
253.21323	0.8
261.08682	0.9
273.09171	1.5
275.10596	0.9
276.11374	1.3
277.08716	1.1
289.08627	6.1
290.09250	1.1
292.11154	0.8
293.11728	3.4
293.36572	0.7
303.10181	2.8
304.10968	11.2
305.08090	3.7
305.11646	20.7
305.14990	1.1
307.13184	3.8
309.11002	0.9
318.12399	0.8
319.08704	1.6
320.10004	4.3
321.11209	33.1
334.10721	3.6
335.12766	9.4
336.13577	60.9
337.10791	4.0
339.15881	1.3
352.13058	2.9
367.15399	100.0
427.17502	19.2
720.85254	0.8
830.27490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15675	0.3
61.31325	0.5
64.81297	0.3
69.03443	0.7
85.02902	6.4
87.04488	0.9
88.95862	0.5
91.03951	0.4
92.04031	0.4
97.02891	2.2
99.04478	0.4
107.04953	45.4
109.02911	0.7
117.59019	0.4
121.06486	1.9
123.04412	5.9
127.03925	1.8
143.04926	2.2
145.05084	0.6
145.06491	6.0
149.05998	1.0
161.05963	21.0
164.07054	4.6
170.95499	0.5
209.09566	1.6
237.09109	3.5
243.10123	0.5
255.10143	68.3
272.12799	33.6
341.31369	0.5
396.53125	0.5
417.77429	0.4
434.18094	100.0
473.22278	0.4
573.86090	0.5
711.09741	0.5
769.37683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71336	1.5
60.78965	1.7
61.02644	2.5
61.02934	52.8
67.05512	33.5
69.03423	4.8
69.07073	14.1
71.04960	1.9
71.08640	2.8
73.02917	21.2
79.05496	9.1
81.03400	2.5
81.07062	48.5
83.08627	9.7
85.02905	87.1
85.06542	2.9
91.03956	100.0
91.05478	5.2
93.07040	10.9
95.08609	50.5
97.02893	37.5
97.06551	3.8
97.10168	3.8
99.04416	3.3
99.08094	3.4
100.81908	2.1
103.53201	1.9
105.07043	7.7
106.20888	2.0
107.08594	11.0
109.02920	2.1
109.10187	23.0
113.09575	6.8
115.03931	3.9
119.08585	10.9
121.10121	19.1
123.11722	19.4
127.03883	28.0
127.11180	2.6
133.10132	17.8
135.11708	19.5
137.09572	2.0
137.13235	11.8
145.04950	35.1
147.11661	11.9
149.13242	4.5
151.14847	14.4
161.13281	15.1
163.06007	56.9
173.17079	2.1
175.14806	4.7
189.16470	3.6
197.04506	2.0
217.19519	53.8
235.20552	92.1
237.52817	1.9
309.24268	31.7
325.11255	26.1
327.25272	87.8
336.12195	12.1
337.12827	2.2
471.29507	3.6
810.02655	2.8
830.42303	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	82.8
67.05518	5.3
69.07065	4.0
70.06598	0.9
71.08607	0.6
71.88858	0.5
72.04507	2.1
73.75012	0.4
74.06081	1.1
79.05499	1.1
81.03403	0.6
81.07059	6.2
83.08613	3.4
86.06065	0.7
90.05548	1.1
91.05444	0.9
93.07034	2.1
95.08611	6.7
96.08146	0.9
97.10175	2.4
105.07079	0.5
107.08584	0.7
109.10142	3.1
112.07575	0.7
119.08572	0.6
121.10143	0.9
123.11706	1.0
130.25050	0.5
133.10104	1.0
135.11745	1.0
147.11729	0.6
161.96725	0.5
163.20335	0.6
182.82063	0.5
224.98990	0.5
246.19730	0.5
250.25195	2.4
262.25299	2.7
268.26309	0.6
270.54666	0.6
280.26328	14.1
297.94388	0.6
298.27328	8.9
298.38898	0.6
312.71667	0.6
316.28448	100.0
320.09079	1.1
336.12372	0.8
455.68243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	83.8
62.12334	0.5
62.38504	0.5
67.05524	4.9
69.07055	2.9
71.08627	0.7
72.04518	0.8
74.06076	1.4
74.64343	0.6
79.05503	2.4
81.07067	7.9
83.08623	4.5
90.05553	1.5
91.05467	0.8
93.07035	2.8
95.08580	6.3
97.10151	1.4
107.08594	1.0
109.10154	3.5
119.08561	2.7
121.10166	1.2
123.11702	0.9
123.29115	0.6
130.08699	0.6
133.10117	1.2
135.11732	0.7
137.13362	0.7
220.66785	0.7
250.25481	1.1
262.25311	2.5
268.26404	0.8
280.26392	12.7
298.27460	9.1
305.02460	0.6
316.28445	100.0
320.09164	1.3
524.58264	0.7
830.44391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
82.76981	0.9
85.02898	0.9
99.04446	1.8
241.10214	1.0
265.43958	0.9
269.09915	1.2
282.85385	1.0
314.66394	0.9
319.08344	5.0
320.09183	3.7
321.09708	1.1
334.10678	8.6
336.12289	1.6
337.12854	1.4
358.12332	1.1
367.13950	4.1
459.12524	1.8
527.19092	4.0
547.18103	3.9
561.18799	2.6
571.17914	4.8
575.17444	4.8
589.18542	7.9
591.20386	1.4
603.20850	4.1
656.60962	1.2
831.30469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89734	0.5
92.20955	0.5
115.58749	0.6
119.67133	0.5
136.88281	0.7
139.03714	1.0
164.88358	0.6
166.86864	0.5
178.53354	0.6
185.28848	0.6
208.06998	0.7
253.10606	0.6
283.07913	0.9
299.07516	2.5
304.06226	0.6
313.10690	2.6
319.08163	0.9
320.08887	1.2
329.10098	0.7
330.71552	0.6
334.10889	3.5
335.11078	0.6
336.12537	0.5
337.12582	0.6
341.09930	1.1
356.98865	0.6
359.11078	1.1
367.13998	0.7
385.14383	0.7
411.12625	0.6
475.15796	1.2
513.17365	4.6
529.17358	1.2
541.16846	4.1
543.18518	2.7
547.18109	4.2
555.18152	1.0
559.17786	4.2
561.19397	2.7
571.17792	3.8
575.17694	5.1
589.19061	7.8
591.20447	2.3
603.20447	0.9
831.30402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61320	0.8
58.65316	0.8
79.44814	0.9
109.74765	0.9
124.68414	1.0
162.68883	1.0
164.01918	1.0
187.21727	0.9
202.06075	1.3
207.06569	2.3
214.48990	1.1
246.04916	6.6
283.08167	1.8
290.08167	1.3
304.06290	1.7
318.07544	3.2
319.08429	7.4
320.09210	5.1
322.10858	1.7
334.10666	20.7
335.11264	5.9
336.12469	2.2
337.12552	1.2
367.13696	7.1
381.42059	1.1
487.15826	2.1
561.19464	1.5
603.20331	1.1
831.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50036	0.2
71.34016	0.2
92.29646	0.3
107.81058	0.2
184.70421	0.3
192.10185	0.2
215.57297	0.3
276.06516	0.4
281.51071	0.2
290.08118	7.0
302.08072	1.9
304.06009	6.1
318.07596	8.2
319.08386	43.3
320.09000	2.0
321.09283	0.3
334.10727	100.0
335.10928	0.4
336.12155	0.3
399.36954	0.2
460.32230	0.3
657.75470	0.3
832.31512	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52356	1.8
60.44815	1.7
72.21941	1.7
89.00720	1.7
107.04951	4.4
119.17091	1.9
123.04459	8.2
131.04900	14.1
133.02855	16.0
137.05972	31.2
145.06462	4.3
147.04401	3.8
149.05960	3.0
151.07585	3.2
153.05501	2.9
159.08040	3.8
161.05983	10.2
163.07535	8.3
165.05600	2.0
167.07040	100.0
173.05968	4.2
175.07541	4.4
177.05432	3.5
179.07066	7.1
181.08640	10.9
183.06506	23.8
187.07573	8.1
191.07086	3.3
193.08591	11.6
205.08586	3.7
217.08580	8.9
219.10130	7.7
223.09549	3.2
231.10149	4.1
237.09016	3.4
249.08951	3.2
249.11183	8.3
261.09082	2.6
265.08624	16.4
277.08554	15.5
279.10138	3.5
283.09567	2.3
285.11047	2.2
293.07648	2.2
297.11215	19.9
308.10358	2.2
309.11160	12.6
319.08371	2.9
320.09210	11.5
321.10422	2.6
327.12283	18.0
334.10767	8.3
336.12146	9.0
339.12253	2.4
343.15289	2.4
345.15204	2.2
361.16537	14.1
371.14746	4.2
385.16415	4.4
387.18127	3.3
389.15961	32.7
397.16196	2.2
403.17502	7.4
405.19058	12.4
406.26050	1.9
419.16907	9.9
421.18576	13.8
569.23792	3.0
832.27808	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.6346
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29113	6.9
65.37831	7.2
66.72543	6.8
71.08626	17.0
73.06543	12.1
85.10179	18.2
85.24846	7.9
87.04465	9.2
89.06043	92.5
115.11344	9.0
133.08629	13.7
144.47670	8.6
348.04800	9.3
424.74417	9.1
569.40271	9.0
624.21100	8.6
631.17627	9.0
659.65265	9.9
703.31293	10.0
815.59839	40.1
832.63812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55211	0.2
62.84088	0.2
84.42300	0.2
117.52509	0.2
119.35530	0.2
154.05714	0.2
175.03857	0.4
175.14754	0.2
207.06531	0.9
258.65414	0.2
270.22699	0.2
278.08081	0.9
279.08868	0.5
290.08066	1.1
294.07556	1.2
304.05997	0.9
306.07602	12.1
308.09320	0.3
310.87653	0.2
318.07565	3.1
319.08325	5.9
320.05484	6.2
320.09152	8.0
324.12207	0.3
334.07022	6.4
334.10745	12.1
335.07858	37.8
336.12274	2.9
337.12717	0.4
350.10211	100.0
404.15036	0.4
553.70636	0.2
770.40045	0.3
834.25861	25.2
834.37512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78682	0.6
62.44200	0.5
110.17723	0.6
125.27782	0.7
207.06572	0.9
278.08044	1.0
279.08899	0.7
292.09802	0.6
294.07672	0.8
296.83044	0.7
306.07553	12.4
318.07645	2.3
319.08301	1.1
320.05600	7.8
320.09244	9.8
321.09708	1.1
334.07129	6.3
334.10889	5.4
335.07886	40.5
336.12280	6.4
337.12582	1.5
350.10233	100.0
642.42804	0.7
834.25946	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	100.0
86.06059	5.6
87.04468	0.8
88.02634	0.4
100.93987	0.4
102.21660	0.3
104.07124	1.5
119.84938	0.4
129.05502	1.5
132.46945	0.3
155.07021	17.3
172.09511	0.4
204.25983	0.4
215.09126	5.8
241.10719	0.8
258.13501	1.4
301.12753	3.6
319.13828	0.6
327.14520	0.5
336.12308	1.4
344.17139	0.9
387.16626	1.2
405.17697	0.6
430.20761	1.5
445.24036	0.4
464.67114	0.4
473.20279	0.6
516.24628	1.5
688.31769	0.4
834.37469	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02638	1.4
61.02932	28.1
67.05507	6.1
69.03437	1.5
69.07055	5.6
71.08628	25.4
73.02921	8.9
75.04451	0.9
81.03407	1.4
81.07055	12.5
83.08614	12.3
85.02905	45.6
85.10185	16.9
87.04494	0.9
89.79729	0.8
91.03954	47.7
95.08606	24.7
97.02895	20.7
97.10159	6.3
99.04453	4.2
99.11738	1.1
103.03980	0.9
103.07565	1.0
109.10150	11.4
111.11711	1.3
115.03894	1.5
119.75426	0.8
121.18620	0.7
123.11672	7.4
127.03906	15.4
135.01558	0.8
137.13283	2.0
145.04955	24.6
156.17960	1.0
163.06003	31.0
174.21913	0.9
239.23660	9.0
257.24652	3.9
285.95111	0.9
313.27347	47.1
320.09015	1.1
321.95023	0.8
325.11258	14.6
331.28397	100.0
334.10910	1.1
336.12372	1.1
368.50662	0.9
429.51630	1.0
493.33896	1.0
561.27515	1.1
677.19177	1.0
834.43433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37466	1.3
61.02932	27.3
67.05504	6.5
69.03433	1.4
69.07055	6.4
71.08632	30.8
73.02911	10.0
81.03374	2.0
81.07059	18.4
83.08638	14.4
85.02916	33.1
85.10180	25.9
86.42895	1.5
91.03963	45.3
95.08605	30.3
96.26101	1.5
97.02894	19.4
97.10169	11.1
99.04410	2.4
109.10168	19.1
122.81833	1.5
123.11707	8.7
125.13328	2.1
127.03926	15.0
137.13286	2.6
145.04976	19.9
163.06006	24.6
189.31081	1.6
217.40654	1.7
221.22560	1.6
239.23720	13.8
257.24655	2.3
313.27390	67.7
325.11288	8.3
331.28415	100.0
335.90961	1.6
475.32629	8.0
569.12787	2.0
707.03467	1.7
748.87402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	84.7
61.83181	0.7
67.05479	1.1
69.07073	1.7
74.06070	1.2
78.77666	0.9
81.07060	1.7
83.04949	0.9
83.08621	1.7
93.07099	1.2
94.80592	0.8
95.08607	5.1
97.10150	1.4
101.25730	1.0
103.83709	0.8
109.10120	2.1
135.11568	1.1
154.01151	1.1
164.42462	1.1
166.37346	0.9
208.44559	1.1
230.29875	1.0
252.26854	1.9
264.26846	5.2
270.27832	5.3
282.27936	23.4
300.28900	15.0
318.29996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96220	0.3
62.44717	0.4
67.70775	0.4
69.07078	0.4
70.02964	0.9
70.06596	41.2
72.08159	100.0
73.07513	0.4
78.88022	0.3
82.72054	0.4
86.09709	13.4
87.05593	24.2
97.21217	0.5
116.07096	9.5
124.94054	0.4
155.11790	0.6
156.10202	4.6
166.08676	0.8
183.11412	1.8
183.14926	39.3
200.13954	3.0
211.14412	10.8
211.16289	0.6
214.11815	6.7
216.75795	0.4
228.13538	0.4
229.15536	1.6
255.17079	2.1
261.11380	0.4
274.89572	0.4
283.16528	10.1
321.09723	0.4
326.20740	26.7
334.10730	3.3
336.12463	0.5
397.15750	0.6
397.20801	17.2
439.28854	0.4
482.29538	3.9
491.41232	0.4
505.52579	0.5
510.29260	33.2
607.34912	3.4
720.42871	3.9
835.23059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	28.4
69.07063	13.8
79.05492	6.4
80.33597	3.4
81.07070	46.7
83.08633	11.0
85.06523	3.2
91.05506	4.1
93.07043	12.6
95.08606	38.0
97.10176	4.2
105.07027	12.3
107.08594	11.8
109.10154	7.0
117.62702	2.9
119.08569	16.2
121.10140	6.9
123.11713	5.7
131.08539	11.4
133.10129	12.4
135.11725	3.7
137.13257	3.8
141.48160	3.4
145.10127	11.5
147.11673	5.7
155.08495	3.4
159.11620	3.0
161.13235	11.7
171.11713	4.5
173.13193	3.6
175.14845	4.9
180.21498	2.8
181.10149	4.0
187.14816	5.1
192.92439	3.0
199.14737	4.0
201.16405	2.8
209.15332	3.2
215.17966	3.4
279.23306	21.9
328.66617	3.5
336.12186	3.7
525.60248	3.4
581.45038	3.4
835.43658	4.4
835.68060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17099	1.1
63.93773	1.1
73.32597	1.2
80.37373	1.2
87.47546	1.2
93.03387	1.9
97.02892	51.6
104.98278	1.3
106.70162	1.2
117.03382	3.0
117.97218	1.2
121.06470	1.7
136.05211	1.6
138.06750	3.1
140.80769	1.3
145.02856	42.8
147.04387	2.5
149.02335	5.7
149.06009	2.4
151.07556	33.6
161.05922	2.2
162.06776	5.3
163.07515	1.5
164.08327	13.9
165.09160	1.6
166.09857	2.6
167.03391	15.9
169.06596	1.5
173.05959	3.1
175.03922	12.3
175.07504	1.7
176.08293	17.0
177.05458	100.0
177.08984	5.3
179.07039	8.2
189.05449	1.6
189.09119	6.1
193.05014	2.3
193.08655	7.3
194.09337	9.9
199.07594	1.5
201.05484	27.8
201.09026	2.0
204.04236	1.9
212.08264	2.8
213.05449	6.0
213.09076	2.1
217.08647	3.1
219.06538	7.6
227.07028	5.0
231.06467	6.0
231.10133	3.1
235.09590	2.1
241.08525	5.0
243.10049	1.8
245.08046	5.0
247.09541	1.8
259.09738	11.8
269.08249	1.7
271.09634	1.8
279.10355	1.8
289.10602	1.9
291.08640	6.9
315.08588	2.5
319.08383	5.6
323.12637	1.3
334.10645	11.4
339.12347	21.2
351.12299	9.5
369.13290	22.9
387.14398	3.0
435.14191	5.9
447.14719	1.5
453.15393	8.5
465.15408	2.8
471.16647	5.7
483.16458	6.3
519.18964	2.6
663.22198	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49264	0.7
91.05501	1.2
95.20575	0.7
128.47870	0.7
320.09711	0.8
837.20929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85998	1.1
103.39284	1.2
159.04172	1.1
175.03777	6.6
189.05220	100.0
190.06050	1.8
297.13583	1.3
301.60361	1.2
319.08411	2.6
320.09363	4.8
328.35129	1.2
334.10928	5.3
336.12424	2.0
376.33267	1.2
428.14609	2.1
429.15668	1.4
439.17825	1.6
443.16968	6.6
444.17648	1.8
457.18295	29.9
471.19833	1.7
625.22504	8.5
640.24792	1.3
742.15027	1.5
837.33087	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36637	0.7
67.00703	0.5
81.03436	0.9
81.71031	0.5
94.45245	0.6
119.04978	2.4
134.21268	0.6
143.37547	0.6
147.04448	3.6
175.03920	13.4
193.05058	0.9
207.06508	11.6
240.16335	0.6
290.08038	8.7
302.08176	2.3
304.06003	7.5
318.07556	11.0
319.08380	53.1
320.09161	1.2
334.10709	88.0
336.12503	0.6
408.12234	4.8
420.12408	2.7
422.10135	8.8
436.11749	23.4
437.12576	12.6
450.13681	1.1
451.14124	1.0
452.14908	28.8
470.15317	0.6
494.16263	0.6
820.26154	2.6
838.26990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65206	0.4
68.00109	0.3
75.50352	0.4
92.21571	0.8
119.04932	2.8
141.54176	0.4
144.55357	0.3
147.04448	4.4
148.69861	0.4
148.71924	0.3
151.98489	0.3
175.02507	0.6
175.03888	12.3
193.04691	0.6
207.06535	14.6
223.76872	0.5
290.08127	8.4
302.08179	2.8
304.06067	7.7
318.07562	12.1
319.08392	52.4
334.10730	82.6
336.12402	0.7
352.15472	1.7
353.54691	0.4
391.11838	0.5
394.10876	0.5
408.12286	6.4
418.10928	0.5
419.11414	0.6
420.12186	3.5
422.10202	8.4
427.80786	0.4
436.11768	21.4
437.12564	11.2
450.13498	2.2
451.14468	0.7
452.14908	31.6
470.16080	0.7
820.25336	2.2
838.27020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46099	0.5
74.10799	0.5
91.05482	0.6
97.02952	0.6
114.81896	0.6
119.04952	2.9
147.04376	4.1
165.05478	0.6
167.07100	1.3
174.90768	0.6
175.03909	12.0
181.05109	0.7
207.06509	13.4
290.08081	10.0
302.08255	3.3
304.06104	7.9
318.07614	12.5
319.08383	60.3
320.09277	2.7
334.10718	100.0
336.12503	0.9
344.77765	0.7
364.88309	0.6
385.64905	0.7
408.12109	4.5
420.12262	1.3
422.10306	7.7
436.11743	17.2
437.12555	12.8
450.13245	1.2
452.14893	28.0
468.67908	0.8
470.15808	0.7
517.91180	0.7
658.06195	0.7
830.16882	0.7
838.26971	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.271
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90285	0.4
87.35118	0.4
150.42487	0.5
174.13231	0.5
174.73730	0.5
175.03925	0.9
184.33429	0.5
201.53392	0.6
245.31580	0.6
264.84976	0.5
290.08099	10.4
292.09830	0.7
302.08051	2.9
304.06021	10.2
318.03958	0.6
318.07626	14.2
319.08395	64.9
320.09195	4.5
321.09933	2.5
334.10733	100.0
336.12286	9.1
337.12411	0.6
338.13541	0.8
352.15555	0.8
361.48300	0.5
437.13092	0.5
452.14948	1.0
838.26904	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30349	4.3
73.09555	5.8
78.59238	5.2
79.99470	5.6
97.02876	40.9
137.63849	5.3
161.46393	4.7
181.08592	37.2
182.77557	4.8
199.75433	5.2
201.05490	7.8
206.09384	5.6
213.05472	27.5
231.06517	33.2
260.80402	5.6
319.08496	22.4
320.09085	21.2
334.10913	41.4
336.12259	24.2
349.10663	75.8
350.11392	54.3
365.10083	8.9
366.11124	41.6
380.02679	5.5
380.12280	8.3
381.13303	100.0
477.15363	45.1
495.16626	19.8
573.19531	81.2
767.80475	5.6
838.36700	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2597
Annotation	Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
67.94043	0.3
68.95541	0.3
69.03412	1.7
70.06569	0.3
83.04984	18.2
85.02903	0.8
111.04443	29.6
129.05469	2.3
149.76537	0.5
153.01822	0.5
153.05463	10.5
167.07010	1.7
171.06516	1.6
181.04953	0.6
213.07599	0.8
231.08604	10.5
270.05078	0.9
285.07556	100.0
306.17093	0.4
320.09067	1.4
327.08499	0.4
334.10651	0.5
336.12085	0.5
380.67255	0.4
437.94629	0.4
447.12738	2.3
515.15533	0.7
552.51245	0.4
609.18042	5.9
677.20868	3.6
839.26025	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83851	3.0
75.31061	3.8
75.57098	3.2
88.82373	3.0
91.64222	3.0
102.75477	3.3
122.34026	3.6
146.94542	4.1
211.82527	3.4
309.67789	3.7
342.08167	3.9
376.92688	3.5
388.41342	3.6
433.24271	4.5
459.21637	13.5
461.23267	7.8
533.25287	42.0
593.27411	15.2
617.30609	12.5
677.32660	6.2
839.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41920	0.5
68.25819	0.7
78.05104	0.6
95.08570	0.6
98.15987	0.6
99.70602	0.8
119.62343	0.8
161.83585	0.7
176.34993	0.6
187.70139	0.6
226.15871	0.7
231.61081	0.6
244.15521	0.6
373.09915	0.7
431.18396	0.8
433.23846	3.2
435.25378	1.3
447.21878	4.3
459.21622	10.1
460.22467	11.0
461.23380	11.9
462.24503	1.3
473.23471	9.0
487.24979	6.2
492.25580	1.1
505.22678	3.6
515.24835	3.9
517.26123	2.7
519.23938	1.7
533.25403	21.0
534.26544	3.2
535.26904	9.2
547.27155	2.8
565.28174	1.5
575.26404	7.3
592.27344	0.8
593.27521	12.9
605.27283	1.3
607.28589	1.0
617.31073	5.7
619.28644	0.8
631.29083	1.4
635.28687	3.6
649.30615	1.6
659.29480	1.2
665.30035	1.1
677.29858	16.5
695.30707	1.0
719.30695	1.6
737.31860	4.3
837.09222	0.9
839.38562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32990	0.6
75.72138	0.6
91.05555	0.6
111.04519	0.7
117.71638	0.5
132.95622	0.6
154.82536	0.6
167.07028	1.0
275.99268	0.7
285.07645	2.5
286.08093	1.0
290.08099	9.4
302.08252	3.1
304.06067	7.3
318.07553	11.3
319.08395	49.7
320.09210	3.9
321.09973	2.4
330.32108	0.8
334.10730	100.0
336.12296	9.3
432.80093	0.6
532.91992	0.7
567.35834	0.7
797.99744	0.7
840.24969	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93521	0.5
79.57640	0.5
97.04120	0.4
118.34850	0.4
134.23610	0.4
235.72173	0.5
269.79074	0.5
290.08093	10.9
290.11227	0.6
292.09549	2.5
302.08197	3.1
304.06076	8.7
306.07480	1.7
306.10876	0.5
318.07596	13.5
319.08377	57.5
320.08939	6.8
321.09869	9.2
334.10718	100.0
335.11121	6.3
336.12253	32.9
337.12823	0.9
354.09900	0.6
359.14728	0.6
473.37231	0.5
482.21191	0.6
526.05737	0.5
840.28180	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56086	0.1
59.57994	0.1
62.62165	0.1
69.89670	0.1
76.01169	0.1
83.67108	0.1
260.07111	0.1
290.08075	0.2
292.09622	3.3
318.07523	0.6
319.08221	0.2
320.09167	100.0
334.10590	0.3
336.12186	0.6
416.00812	0.1
620.02838	0.1
840.28644	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93521	0.5
79.57640	0.5
97.04120	0.4
118.34850	0.4
134.23610	0.4
235.72173	0.5
269.79074	0.5
290.08093	10.9
290.11227	0.6
292.09549	2.5
302.08197	3.1
304.06076	8.7
306.07480	1.7
306.10876	0.5
318.07596	13.5
319.08377	57.5
320.08939	6.8
321.09869	9.2
334.10718	100.0
335.11121	6.3
336.12253	32.9
337.12823	0.9
354.09900	0.6
359.14728	0.6
473.37231	0.5
482.21191	0.6
526.05737	0.5
840.28180	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00167	0.1
71.64705	0.1
71.95546	0.1
85.02869	0.1
87.04389	0.1
96.45544	0.1
97.32024	0.1
145.05013	0.1
146.98000	0.1
163.24748	0.1
197.00639	0.1
227.51764	0.1
290.08084	0.6
292.09680	2.8
304.05994	0.2
318.07568	1.2
319.08380	1.3
320.09183	100.0
321.49094	0.1
329.73062	0.1
334.10760	2.4
335.11279	0.2
336.12152	0.5
337.23743	0.1
370.74625	0.1
621.74615	0.1
703.32117	0.1
840.28430	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42293	0.2
60.89146	0.2
65.80170	0.2
88.25538	0.2
290.07999	0.3
292.09644	2.7
304.05881	0.2
315.11682	0.2
318.07657	0.7
319.08395	1.9
320.09180	100.0
322.10562	0.4
323.11395	0.3
329.11505	0.3
329.19800	0.2
329.61884	0.3
334.10715	2.7
335.11288	0.3
336.12360	1.9
337.12823	1.9
338.13058	0.3
493.94836	0.3
731.79431	0.2
840.28210	5.4
860.24860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
74.31319	0.1
83.36826	0.1
94.24073	0.1
149.73627	0.1
152.03804	0.1
165.03880	0.1
229.13094	0.1
239.03192	0.1
262.08609	0.1
277.07196	0.1
290.08017	0.3
292.09628	2.9
318.07742	0.4
319.08905	0.1
320.09164	100.0
321.09613	0.1
334.10678	0.1
336.12170	0.7
426.54568	0.1
840.28583	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
148.13440	0.1
157.21233	0.1
161.03937	0.1
205.04832	0.1
207.06433	0.1
290.08017	0.4
292.09616	3.2
318.07526	0.8
319.08237	0.7
320.09149	100.0
334.10791	1.0
442.08554	0.1
553.98450	0.1
840.28583	7.3
862.85352	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98147	0.1
68.97939	0.1
88.40607	0.2
90.22198	0.1
113.07147	0.2
122.78684	0.2
126.36681	0.1
144.65009	0.2
167.07013	1.0
168.07289	0.2
181.04938	0.7
244.59081	0.2
258.90939	0.2
290.08145	0.2
292.09671	2.6
295.92221	0.2
318.07672	0.9
319.08307	1.0
320.09158	100.0
321.09442	0.2
334.10663	1.4
336.12271	0.6
337.12836	0.3
417.15704	0.2
450.61722	0.2
840.28278	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
79.35283	0.2
122.71743	0.2
177.10667	0.2
290.08084	0.8
292.09692	2.8
304.06021	0.3
318.07571	0.9
319.08368	2.7
320.09158	100.0
321.09579	0.2
334.10696	5.0
335.11026	2.6
336.12167	1.2
342.73447	0.2
754.08179	0.2
840.28998	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39931	0.3
62.62450	0.3
96.97689	0.3
104.27189	0.3
130.81946	0.3
131.75481	0.3
144.89738	0.3
153.52859	0.3
154.76643	0.3
290.08038	8.5
302.08273	2.5
304.06009	9.1
304.09122	0.5
308.09085	0.5
318.07584	13.5
319.08383	54.2
320.08902	4.3
321.09097	2.0
322.10574	0.6
324.11951	0.5
334.10721	100.0
335.11038	4.1
336.11423	3.3
340.26157	0.4
373.04919	0.3
528.97742	0.4
840.28375	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44596	0.1
64.48325	0.1
67.90096	0.1
71.81989	0.1
74.97708	0.1
87.66921	0.1
91.79562	0.1
106.53258	0.1
131.39137	0.1
137.05934	0.3
161.05916	0.3
173.86960	0.1
177.66313	0.1
199.07362	0.1
212.38458	0.1
262.08475	0.1
263.10696	0.2
264.10248	0.1
277.07260	0.1
290.07880	0.7
291.10544	0.6
292.09637	3.0
304.05920	0.1
308.09528	0.1
318.07700	0.9
319.08475	1.2
320.09161	100.0
323.12729	0.3
334.10764	2.5
335.58429	0.1
336.12112	0.5
338.13724	0.2
387.63925	0.1
518.54333	0.1
698.57104	0.1
840.28418	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85870	0.2
180.11592	0.2
207.06303	0.2
242.82191	0.2
249.78706	0.2
290.08304	1.1
292.09698	3.0
304.05960	0.3
318.07599	1.9
319.08414	4.8
320.09174	100.0
321.09485	0.3
334.10715	9.6
336.12329	1.6
532.79370	0.2
809.05255	0.2
840.28479	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
81.85181	0.2
83.04984	0.4
111.04444	0.4
120.19653	0.3
138.63405	0.3
151.07616	0.3
161.05965	0.4
167.07030	2.1
181.08739	0.3
193.08606	1.2
197.02199	0.3
285.07431	1.9
286.07904	1.2
290.08145	0.4
292.09698	3.6
318.07706	0.6
319.08133	0.5
320.09167	100.0
322.92670	0.3
329.11896	0.3
334.10724	0.6
336.12457	0.6
352.15634	0.3
678.20581	0.3
840.28137	9.7
849.74646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55209	0.3
62.63285	0.3
67.00990	0.3
67.24778	0.3
67.35906	0.3
82.13847	0.3
85.02871	1.5
92.21077	1.6
95.90090	0.3
97.02847	0.4
97.13381	0.3
116.66908	0.3
127.03899	0.3
145.04900	0.4
167.07008	1.3
255.20888	0.3
273.22244	0.3
290.08075	9.9
301.21564	0.3
302.08124	3.1
304.06058	10.3
308.09103	0.6
318.03833	0.6
318.07590	12.5
319.08395	55.6
320.09186	9.9
321.09628	0.6
322.10611	0.5
334.10733	100.0
335.10977	0.6
335.83145	0.4
336.12302	2.7
337.23529	1.3
338.13904	0.4
350.10150	0.3
430.32831	0.3
451.23544	0.3
530.92926	0.4
782.07538	0.4
840.28406	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
81.08752	0.3
82.44420	0.2
89.92226	0.2
91.05418	0.2
104.04700	0.3
112.01514	0.2
122.13402	0.2
124.61385	0.3
175.03886	0.4
246.70389	0.3
290.08084	9.4
302.08118	3.3
304.06046	9.6
304.09503	0.4
305.06763	0.4
308.09146	0.5
318.07581	13.3
319.08368	56.4
320.08987	4.0
321.08997	1.1
334.10715	100.0
335.11078	2.7
336.11945	1.9
551.48627	0.3
840.28375	41.8
851.03845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.80329	0.4
73.63831	0.3
140.44815	0.3
150.71187	0.4
290.08118	9.6
292.09610	0.7
302.08145	2.4
304.06046	9.1
318.07648	12.3
319.08389	55.5
320.09128	1.9
321.09888	3.7
322.10352	0.7
334.10721	100.0
336.12271	9.1
337.12604	4.8
338.13644	0.7
359.14746	0.4
579.22705	0.5
602.15265	0.4
840.28259	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
78.38876	0.1
92.21543	0.1
95.12278	0.1
110.95255	0.1
127.53220	0.1
135.85194	0.1
140.48192	0.1
158.51460	0.1
203.52867	0.1
277.07336	0.2
290.08026	0.2
292.09683	3.7
318.07727	0.9
320.09164	100.0
336.12265	0.5
840.28619	6.9
840.44519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56086	0.1
59.57994	0.1
62.62165	0.1
69.89670	0.1
76.01169	0.1
83.67108	0.1
260.07111	0.1
290.08075	0.2
292.09622	3.3
318.07523	0.6
319.08221	0.2
320.09167	100.0
334.10590	0.3
336.12186	0.6
416.00812	0.1
620.02838	0.1
840.28644	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88549	0.3
69.53683	0.2
74.33861	0.2
74.56396	0.2
79.61622	0.2
98.18221	0.3
108.44892	0.2
129.75478	0.3
150.80870	0.2
290.08072	10.4
302.08054	3.6
304.06024	10.5
318.07608	14.7
319.08377	56.6
320.09079	4.5
322.10809	0.3
324.12442	0.5
334.10721	100.0
335.10855	0.5
336.12271	0.6
346.91107	0.3
715.29095	0.3
840.28479	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63336	0.1
84.24483	0.2
221.53532	0.1
228.80081	0.2
290.08121	0.8
292.09686	3.3
308.09198	0.7
318.07663	0.9
319.08270	1.2
320.09174	100.0
321.09543	0.3
334.10660	1.9
335.11121	0.7
336.12286	1.6
360.92548	0.1
464.82324	0.2
492.13742	0.2
607.15826	0.2
678.23016	0.2
840.28717	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02848	1.4
87.11010	0.3
90.08103	0.3
99.04465	0.4
145.04909	0.7
146.74922	0.3
147.92604	0.3
157.27577	0.3
164.80673	0.3
167.07019	10.2
191.33591	0.3
205.46591	0.3
212.36961	0.4
214.34128	0.3
255.21019	0.4
273.21985	0.4
276.06516	0.5
290.08078	11.5
291.38953	0.3
302.08160	3.7
304.06009	10.2
306.07706	0.4
308.09271	0.4
308.40173	0.3
318.07578	13.2
319.08371	58.0
320.09143	8.2
322.10724	0.6
325.11169	0.5
333.13242	0.4
334.10703	100.0
336.12369	2.2
337.23718	0.5
345.13266	1.2
354.47565	0.3
386.10297	0.4
840.28436	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03398	0.4
69.75578	0.4
74.37970	0.5
89.15231	0.4
99.04459	2.1
114.26897	0.5
131.03065	0.5
148.46027	0.4
155.01276	0.5
285.86841	0.5
290.08008	5.8
302.08173	2.3
303.08997	0.7
304.06036	6.4
318.07602	8.6
319.08398	38.7
320.09058	3.6
321.09494	1.0
334.10745	100.0
335.11157	2.2
335.16052	0.5
335.42078	0.5
841.27765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85894	0.1
72.68697	0.2
73.10142	0.2
90.77903	0.2
99.04443	0.2
104.91919	0.2
110.08958	0.2
110.80070	0.2
143.67216	0.2
164.97554	0.2
166.99826	0.2
202.91820	0.2
207.06520	0.2
276.06497	0.2
290.08118	4.5
302.08142	1.6
304.06036	5.4
318.07587	7.1
318.11102	0.3
319.08392	36.8
320.08932	1.6
321.09531	0.3
334.10733	100.0
335.11014	1.9
336.12027	0.2
358.14767	0.2
631.22968	0.2
841.28668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99526	0.5
68.67117	0.6
73.78661	0.6
81.07061	0.6
90.74689	0.5
105.07078	0.8
137.02359	1.0
142.55286	0.6
147.04475	0.7
148.56221	0.6
155.57616	0.6
156.78140	0.6
177.01871	0.9
177.05653	0.6
191.03464	1.2
191.07031	0.8
201.05598	0.8
203.10712	1.1
211.07651	3.4
211.72307	0.6
219.06520	38.0
237.07712	2.1
259.13455	0.6
293.04581	0.7
295.09668	1.2
297.11331	0.7
298.56104	0.6
299.05597	2.7
304.16736	0.5
309.07721	0.6
311.05505	20.3
311.08868	1.1
323.05612	2.4
323.09351	3.2
332.06790	1.2
334.10785	0.7
337.07025	1.3
337.10782	2.2
343.52237	0.6
347.09283	1.3
349.10843	2.6
353.10324	6.0
359.78885	0.6
365.10190	31.0
367.11713	4.4
403.15421	8.7
419.14856	1.3
421.16452	100.0
431.14941	1.2
487.21176	2.4
829.82965	0.8
841.31982	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96684	0.3
69.49892	0.3
79.59486	0.3
87.76232	0.3
123.44691	0.3
181.08537	1.4
290.08102	11.6
292.09613	0.6
302.07993	3.4
304.02750	0.6
304.06018	11.3
307.08453	0.5
308.09091	6.5
318.03885	0.4
318.07599	13.9
319.08380	55.2
320.09149	14.9
321.09387	1.6
322.10629	3.5
334.10718	100.0
335.11172	0.7
336.12045	1.7
355.15341	0.4
842.26654	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77554	0.5
64.33728	0.6
67.61165	0.4
70.40176	0.4
72.61966	0.5
137.05978	0.9
239.44958	0.5
290.08093	8.1
292.09631	4.1
302.08093	2.7
304.05984	6.3
308.08963	0.8
318.07578	9.2
319.04611	1.0
319.08405	38.5
320.09171	100.0
321.09433	5.2
322.10095	0.7
334.10745	63.4
335.11197	2.5
336.12210	4.2
470.96808	0.5
500.34537	0.6
626.20502	0.7
808.81085	0.6
808.96747	0.5
842.26477	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46361	0.4
70.70860	0.4
74.80447	0.4
92.21539	0.5
97.73044	0.4
99.53426	0.4
167.06996	1.6
290.08130	11.3
295.08957	0.4
302.08173	3.5
303.08737	0.6
304.06082	9.6
308.09378	0.5
318.07614	14.2
319.08386	61.3
320.09048	6.3
321.09631	2.0
334.10727	100.0
335.11047	2.4
336.12222	5.2
369.09830	0.6
371.51559	0.5
842.26544	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21307	0.3
62.66152	0.3
62.72438	0.3
62.85520	0.3
70.02508	0.4
70.56104	0.3
76.19748	0.3
83.04974	0.6
85.89929	0.4
92.20895	0.4
92.21407	1.0
99.04427	1.7
138.24680	0.3
159.48781	0.3
167.07024	0.8
175.03865	0.4
207.06555	0.6
237.13179	0.4
271.05942	0.3
290.08096	13.2
292.09570	2.6
302.07974	2.9
304.06049	10.0
307.08710	0.4
308.09180	1.7
318.07614	15.9
319.08401	58.6
320.09167	62.0
321.09515	9.4
322.09692	4.2
323.11374	0.6
334.10736	100.0
335.11264	3.4
336.12277	7.0
338.13971	0.4
406.40002	0.3
406.82761	0.3
485.21188	0.3
842.26575	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	0.9
88.12313	0.9
91.86814	0.7
99.04457	1.1
100.33288	0.7
108.44570	0.8
126.03230	0.7
139.94910	0.8
151.34357	0.9
158.52618	0.9
186.75879	0.7
200.59976	0.9
207.06512	1.6
290.08057	8.9
302.08002	3.7
304.05975	7.4
308.09064	1.3
318.07593	12.0
319.04599	1.6
319.08371	49.0
320.09082	17.6
321.09479	10.8
322.09933	5.7
334.10721	100.0
335.11118	10.9
336.12253	1.4
350.67596	1.0
779.09644	0.9
842.26434	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46361	0.4
70.70860	0.4
74.80447	0.4
92.21539	0.5
97.73044	0.4
99.53426	0.4
167.06996	1.6
290.08130	11.3
295.08957	0.4
302.08173	3.5
303.08737	0.6
304.06082	9.6
308.09378	0.5
318.07614	14.2
319.08386	61.3
320.09048	6.3
321.09631	2.0
334.10727	100.0
335.11047	2.4
336.12222	5.2
369.09830	0.6
371.51559	0.5
842.26544	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83254	1.6
61.02930	4.1
67.05495	10.6
69.03422	4.0
69.07066	12.5
71.08631	21.3
77.45663	1.8
79.05502	4.5
81.03463	2.4
81.07074	18.2
81.61318	2.2
83.05004	2.5
83.08637	19.9
85.02905	10.9
85.10184	12.7
91.03970	8.7
93.07040	9.3
95.08608	23.8
97.02869	3.3
97.10169	45.9
101.23963	1.8
107.08607	16.6
109.10136	20.7
117.07034	2.6
119.08636	3.7
121.10120	2.3
123.11728	2.6
125.09630	67.4
127.03947	2.3
129.16081	1.9
131.08588	2.9
135.07996	4.8
143.10623	3.2
145.10170	3.3
153.09042	3.5
171.10172	8.3
189.11209	55.9
227.10522	3.0
227.12766	77.8
232.83174	2.1
239.23669	2.5
245.13812	82.7
253.82549	2.3
313.27332	87.4
320.09103	3.0
336.12402	4.8
391.80237	2.4
483.36819	100.0
501.37701	9.3
536.99170	2.2
609.45129	7.6
627.46295	3.5
771.50519	2.4
835.24646	2.7
842.46527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.7
67.05499	26.6
69.03419	5.9
69.45570	4.2
71.08630	7.5
79.05492	8.8
81.07047	26.8
82.78887	4.0
83.08620	20.7
85.02914	8.0
85.10174	10.1
91.03961	5.2
93.07050	8.0
95.08614	30.3
97.10174	46.9
107.08562	22.2
109.10143	19.4
110.13027	4.3
119.08592	5.6
123.11712	8.2
125.09618	66.0
133.10130	6.2
135.08011	5.6
135.11641	5.1
171.10086	8.3
189.11238	52.6
227.12746	100.0
245.13818	99.5
313.27350	70.5
335.25723	11.8
336.12259	10.8
431.37787	4.7
483.36911	68.0
501.37985	10.9
612.22522	5.3
704.22473	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72726	1.5
67.05509	72.7
69.03417	3.3
69.07065	22.7
71.04990	7.1
74.84766	1.7
79.05492	49.7
81.07062	100.0
83.04988	3.4
83.08618	20.0
85.02905	2.9
85.06541	3.3
85.27154	1.9
91.05482	31.4
93.07048	65.9
95.04951	9.0
95.08608	72.6
97.06526	8.3
97.10152	7.1
105.07027	26.1
107.04970	2.2
107.08604	48.6
109.06520	8.8
109.10158	37.1
111.08089	9.0
117.06974	15.2
119.08575	34.7
121.06482	3.3
121.10140	39.4
123.08027	3.5
123.11726	8.1
125.09666	2.7
131.08569	21.0
133.10135	31.1
135.08075	7.6
135.11707	28.5
137.13264	2.3
137.59760	1.7
139.11154	2.3
140.06009	2.3
143.08549	3.8
145.10149	20.6
147.11685	24.6
149.09607	7.4
149.13246	21.4
151.11192	2.5
157.10098	3.0
159.11707	15.4
161.13220	8.3
163.14780	2.3
163.40584	1.8
165.12804	2.6
165.90027	1.7
171.11685	3.7
173.11871	2.0
173.13261	11.6
175.14873	2.1
185.13275	4.3
187.14806	2.6
195.13710	3.0
197.13176	2.9
211.14720	2.2
229.14337	8.2
243.21254	2.3
257.18924	4.2
261.22125	9.7
269.17548	15.8
275.20020	20.4
293.21216	2.1
335.25803	75.2
349.23822	16.8
367.24863	11.3
489.35724	8.1
507.36105	3.2
529.31464	3.0
529.38922	60.2
547.39850	2.5
569.42047	45.6
574.59113	2.0
609.45038	51.0
627.46179	44.4
655.12726	2.3
673.42535	4.1
682.65393	2.0
691.44385	2.3
713.44891	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40227	2.1
67.05507	83.6
69.03429	3.0
69.07069	21.9
71.04984	5.9
71.08649	2.8
74.93097	2.1
75.24010	2.4
79.05494	38.2
81.07061	100.0
83.04982	3.1
83.08607	18.3
85.02896	2.9
85.20152	2.3
85.88132	2.2
89.01813	2.8
91.05475	36.6
91.39828	2.3
92.20970	3.8
93.06503	2.8
93.07047	73.7
94.74132	2.6
95.04980	13.0
95.08601	70.3
97.06532	13.6
97.10163	5.9
105.07015	30.4
107.04971	4.1
107.08609	49.3
109.06514	5.0
109.10154	53.8
111.08051	5.8
117.07018	14.4
119.08588	29.9
121.10150	36.4
123.08072	5.9
123.11711	10.4
125.09609	9.8
131.08571	27.5
133.10123	30.3
135.11711	29.8
137.09619	5.0
143.08539	5.1
145.10136	21.1
147.11685	16.5
149.09633	3.9
149.13254	11.6
152.39131	2.4
157.10123	3.2
159.11710	13.7
161.13225	10.9
163.11188	3.6
171.11742	3.6
173.13239	11.5
175.11018	2.8
175.14865	3.7
177.12703	3.7
185.13168	3.3
187.14796	3.3
189.11261	3.1
195.13841	4.5
201.16394	3.2
227.12752	5.5
229.14268	6.1
243.21043	3.8
261.22104	12.1
269.17346	16.7
275.20056	19.1
293.20789	3.6
309.20590	4.5
311.77002	3.2
313.27127	3.5
335.25812	77.0
336.12479	5.4
338.13599	3.3
349.23895	19.0
367.24832	9.4
404.55579	3.2
483.36670	4.1
489.35452	17.9
529.38904	51.7
569.42035	34.4
609.45068	44.9
627.46033	38.9
673.43152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91059	0.3
70.06561	0.3
84.08031	0.3
88.53285	0.4
107.99043	0.3
275.36343	0.4
290.08115	9.8
302.08063	2.8
303.08728	0.5
304.06036	9.4
305.06357	0.7
306.07214	0.4
318.07605	14.6
319.08368	61.9
320.08841	6.5
321.09415	3.0
334.10721	100.0
335.11105	8.7
336.11871	5.5
843.31091	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98091	0.7
71.00423	0.8
83.06119	1.1
84.04510	48.3
87.05589	10.7
91.05482	1.4
98.06063	1.3
101.07211	1.3
103.05502	1.0
107.04992	1.2
120.08108	13.0
121.65374	0.9
125.07099	2.2
126.05518	100.0
130.06592	1.2
131.04944	1.2
138.05545	14.9
144.06552	3.6
166.08650	14.6
168.06551	5.5
172.07600	1.0
175.08672	25.0
186.07669	5.4
200.07062	39.9
204.08665	15.0
217.09715	4.8
217.27887	0.9
221.09221	27.9
221.11301	2.1
228.06535	3.4
230.91914	0.9
234.12383	6.1
245.09239	5.2
246.07597	41.9
261.52628	0.9
262.11823	1.6
263.10318	13.8
280.12903	51.3
330.20111	1.0
465.19962	3.5
483.20862	81.5
490.03931	1.0
514.17145	1.0
723.13507	1.1
779.18506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.353
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.6
85.02883	0.6
105.07033	0.5
137.05980	9.3
151.07591	0.5
161.05957	3.6
175.07492	2.4
186.56807	0.5
187.07567	3.4
205.22404	0.5
219.07941	0.6
221.09550	0.7
249.09175	2.5
251.10718	3.2
253.08528	0.6
259.07687	0.7
261.09186	1.0
265.08557	6.9
267.10236	0.7
275.10452	0.7
277.08566	24.4
278.09277	0.9
279.10144	3.7
281.11710	2.1
285.11307	0.9
289.08466	1.9
291.10046	1.3
294.08823	21.5
297.11182	7.0
303.10104	3.0
307.09464	1.9
308.10846	0.6
309.11203	63.0
311.12796	3.2
319.08417	1.0
320.09061	5.4
321.10742	2.3
323.12888	0.7
334.10864	1.2
335.12268	0.5
336.12027	1.1
347.18716	0.6
470.08539	0.5
508.35083	0.6
528.16754	0.6
542.18024	4.5
556.19397	0.7
637.23737	0.7
844.35571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
79.03133	0.6
81.89106	0.5
82.14747	0.4
85.02882	1.1
93.03218	0.4
97.02831	0.5
137.05971	10.5
151.07501	1.1
161.05928	3.9
171.09296	0.5
175.07521	3.2
187.07549	2.7
199.07529	0.7
214.22655	0.6
229.10089	1.0
243.08008	2.1
247.11032	0.6
251.10706	2.4
257.09564	6.9
259.07758	0.8
260.08322	5.4
261.09113	1.0
265.08557	1.1
271.07507	3.8
273.08975	0.8
275.07526	0.7
275.10651	22.5
277.08566	3.7
279.10162	0.7
285.09052	2.8
287.10739	0.7
288.07770	7.1
289.08539	0.8
290.08163	2.7
291.10162	2.7
297.11203	0.9
303.10156	33.8
304.06024	2.1
304.11035	0.8
305.11780	0.8
309.11292	5.9
311.12720	0.6
317.11688	2.0
318.07434	3.7
319.08362	17.6
320.09033	6.6
321.09589	2.9
322.10175	2.5
334.10754	28.7
335.07568	0.6
335.11465	3.5
336.12024	3.4
338.13800	2.4
350.10223	6.5
351.10602	3.2
407.12741	0.8
422.12131	2.6
423.12753	2.3
526.17657	0.7
559.19580	0.5
573.18549	0.6
844.35400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.354
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.7
75.27979	0.4
84.57808	0.5
85.02907	1.0
88.78640	0.5
102.28910	0.5
105.07005	0.6
109.06509	0.6
113.56926	0.5
116.10619	0.5
120.12919	0.5
133.06532	0.8
137.05977	15.2
151.07437	0.7
153.72881	0.6
161.05952	5.7
175.07552	3.6
187.07545	4.2
196.44383	0.5
199.07472	0.7
229.10074	2.3
231.08043	0.8
232.08493	0.7
243.08046	2.7
251.10570	1.2
257.09595	8.3
259.07455	1.0
260.08228	8.1
261.09055	0.9
263.10587	0.7
265.08539	1.3
271.07495	4.7
273.09036	1.3
274.10010	0.6
275.10620	28.3
277.08606	3.1
277.11765	0.7
279.10126	3.6
283.09427	0.7
285.09006	3.1
286.09784	0.6
288.07840	10.6
289.08771	0.8
290.08139	2.2
291.10193	2.5
294.08737	0.8
297.11209	2.6
303.10147	42.3
304.05905	1.3
309.11127	5.5
311.12744	2.7
317.11710	1.1
318.07593	2.9
319.08270	10.5
320.09082	20.9
321.09253	2.0
322.10513	2.6
323.11615	1.0
334.10718	24.1
335.12445	2.4
336.12189	6.1
338.13681	3.5
410.85526	0.6
431.39868	0.6
447.28528	0.6
558.33289	0.6
575.20831	1.0
607.23303	1.1
621.67474	0.6
637.24426	0.9
682.30145	0.7
844.35699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42152	0.4
72.10877	0.5
74.27071	0.5
91.91415	0.5
93.04157	0.4
97.02901	0.5
98.98448	0.4
137.05974	9.4
161.06038	2.3
175.07622	2.3
179.16304	0.5
187.07596	1.0
199.07549	0.6
219.08131	0.7
221.09592	0.7
231.08139	0.6
237.09084	0.9
247.07669	0.5
248.08334	0.6
249.09174	2.2
251.10783	2.0
259.07550	0.7
261.09155	0.6
265.08630	5.4
275.10791	0.7
277.08578	20.0
278.09274	0.7
279.10318	2.8
281.11792	1.8
285.11166	1.9
287.38266	0.6
289.08691	2.5
291.10379	2.1
294.08853	15.9
294.11850	0.7
297.11093	5.5
303.09985	3.6
307.09683	2.0
309.11200	53.6
311.12851	1.0
320.09140	5.4
321.09308	7.2
322.09695	4.8
323.10223	2.3
334.10944	0.8
335.12936	1.9
682.29895	0.6
844.35406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08389	0.7
69.03417	0.9
72.90604	0.7
74.12337	0.7
78.43311	0.6
80.14566	0.7
85.02912	3.7
95.17319	0.7
115.65537	0.7
122.76484	0.8
137.06003	14.3
161.06033	2.9
165.92703	0.7
175.07504	3.8
187.07541	2.5
199.07631	1.2
229.10089	1.2
231.08008	0.8
243.08070	1.3
251.10683	3.0
253.08319	0.9
257.09634	7.7
260.08334	7.0
265.08606	0.8
271.07523	4.3
275.07861	0.9
275.10675	23.6
277.08575	3.2
279.10199	1.6
279.68057	0.8
280.11002	0.8
285.09116	4.4
286.09738	0.8
288.07834	10.2
289.08728	1.3
291.10104	3.3
292.09863	1.0
297.11267	0.8
302.09317	1.2
303.10150	41.0
304.10779	1.1
308.09128	5.5
309.09396	1.1
309.11462	1.0
310.10443	1.3
311.12811	0.9
319.08475	3.9
320.09033	9.0
321.09421	6.0
322.10324	4.9
334.10724	8.0
335.11810	1.4
336.12106	4.4
479.60562	0.7
484.51242	0.9
591.55701	1.0
618.05481	0.8
844.35468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71703	1.0
69.03426	0.9
72.08167	1.1
82.98941	0.9
85.02907	1.5
93.09365	1.0
94.68539	0.9
100.65417	1.0
105.07017	0.9
122.42275	1.0
125.69695	1.0
136.84811	1.1
137.05969	14.6
155.16180	1.0
157.14748	1.1
161.06046	2.4
166.38771	1.0
167.07031	2.0
175.07558	2.4
181.08498	1.5
181.35985	1.0
187.07481	4.8
196.41757	0.9
229.10188	1.1
236.05968	0.9
247.07355	1.1
247.11035	1.1
251.10661	5.1
257.09586	8.3
260.08224	6.0
261.08838	1.1
271.07471	3.9
273.08987	1.8
275.10648	25.8
279.10165	1.5
285.09055	2.2
288.07883	7.5
290.08313	1.2
291.10132	5.2
297.11197	2.2
303.10138	36.3
304.06039	1.5
308.09116	2.4
309.09271	1.4
310.10565	1.3
317.11804	1.6
318.07825	1.4
319.08316	13.0
320.09012	13.3
321.09360	5.2
322.10315	1.7
328.41867	1.2
334.10730	22.1
335.11282	5.7
336.11795	6.3
338.13925	1.8
341.51978	1.1
378.20224	1.1
380.73080	1.0
682.28082	1.1
844.35846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71703	1.0
69.03426	0.9
72.08167	1.1
82.98941	0.9
85.02907	1.5
93.09365	1.0
94.68539	0.9
100.65417	1.0
105.07017	0.9
122.42275	1.0
125.69695	1.0
136.84811	1.1
137.05969	14.6
155.16180	1.0
157.14748	1.1
161.06046	2.4
166.38771	1.0
167.07031	2.0
175.07558	2.4
181.08498	1.5
181.35985	1.0
187.07481	4.8
196.41757	0.9
229.10188	1.1
236.05968	0.9
247.07355	1.1
247.11035	1.1
251.10661	5.1
257.09586	8.3
260.08224	6.0
261.08838	1.1
271.07471	3.9
273.08987	1.8
275.10648	25.8
279.10165	1.5
285.09055	2.2
288.07883	7.5
290.08313	1.2
291.10132	5.2
297.11197	2.2
303.10138	36.3
304.06039	1.5
308.09116	2.4
309.09271	1.4
310.10565	1.3
317.11804	1.6
318.07825	1.4
319.08316	13.0
320.09012	13.3
321.09360	5.2
322.10315	1.7
328.41867	1.2
334.10730	22.1
335.11282	5.7
336.11795	6.3
338.13925	1.8
341.51978	1.1
378.20224	1.1
380.73080	1.0
682.28082	1.1
844.35846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95378	1.2
60.39587	1.2
62.84343	1.3
68.09804	1.2
69.03416	2.1
71.05042	1.1
79.05540	1.4
81.03427	1.5
83.04993	1.9
85.02903	1.9
91.05474	3.2
92.20979	2.3
93.03391	1.3
93.07023	1.7
95.00384	1.4
95.04973	1.3
97.02895	66.6
97.06543	1.4
99.04438	2.2
107.04957	2.4
117.03403	1.9
119.04933	11.2
121.06503	1.8
121.45881	1.3
125.06015	1.6
125.24170	1.2
127.03893	2.4
131.04948	1.9
131.26859	1.5
137.06053	1.3
141.08340	1.3
145.02844	5.6
145.06473	1.7
147.04413	12.3
149.02287	1.6
149.06017	2.8
153.05444	1.5
155.07079	2.6
155.08571	1.4
157.06483	1.9
158.61290	1.1
159.08087	6.0
161.06113	1.8
162.03119	2.2
163.03925	5.6
165.07019	1.2
166.06265	4.8
167.03412	17.7
167.07040	14.2
168.07793	1.2
169.87625	1.9
173.05914	2.0
175.03900	38.1
175.07509	2.3
176.08258	1.8
177.05487	23.6
178.06258	12.1
179.07051	7.2
180.07773	1.6
180.38954	1.3
181.04987	6.2
181.08565	18.4
183.08145	1.7
185.05998	1.7
185.09601	2.0
187.07544	5.9
187.11180	2.0
189.09068	2.6
190.02632	2.3
191.06976	12.2
192.07802	5.9
193.08649	3.0
194.09381	5.3
195.06564	1.9
195.10165	6.7
201.09076	1.8
203.07047	5.0
204.07829	2.1
205.04955	100.0
205.08574	5.1
206.09404	11.2
207.06516	72.3
207.10117	5.7
209.08089	11.0
213.09082	7.1
215.07033	1.8
217.04961	2.9
217.08542	1.7
218.09291	1.6
219.06558	7.6
219.10071	9.0
221.08052	2.7
221.11726	2.0
223.06018	20.6
223.09601	3.0
224.10495	9.1
229.08600	5.2
230.09392	2.3
231.06573	2.5
231.10156	2.9
233.07910	1.8
233.11720	2.9
235.06049	2.4
237.11195	1.6
241.08614	1.8
242.09358	4.9
243.06322	1.6
245.08136	1.6
245.11650	10.2
247.09573	6.7
255.10304	1.7
257.08035	5.4
258.08881	1.6
259.09521	2.2
261.07507	2.0
261.11108	3.2
263.12735	8.2
273.11102	6.2
273.14590	1.2
275.09097	4.7
289.10925	4.9
291.12302	24.0
292.10129	1.3
302.11401	1.9
303.08621	2.6
308.09195	6.8
309.09891	2.1
309.13315	8.7
318.07599	2.3
319.08237	13.7
320.08963	13.9
321.09717	18.1
334.10797	34.2
335.11035	6.4
336.12360	10.3
337.12927	1.8
339.10754	8.2
397.12650	3.1
399.14359	19.2
405.15845	1.5
411.14380	5.5
423.16605	2.9
429.15482	7.1
430.54471	1.7
499.14590	7.9
513.17401	8.7
531.18646	12.4
561.19867	1.7
585.21869	2.1
708.45490	1.8
723.24884	5.1
844.30933	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.5
69.03416	0.8
69.41733	0.4
71.28150	0.4
75.31622	0.4
79.98057	0.4
85.02931	4.0
97.02888	0.6
107.04960	70.9
115.05373	0.8
121.06478	1.9
127.03922	0.5
137.06003	10.2
143.04935	6.7
145.06490	11.2
151.07535	3.7
158.14627	0.4
160.05161	0.6
162.08632	0.5
163.07516	2.9
175.07545	28.7
178.08632	1.0
209.09604	8.4
219.08029	0.7
237.09096	17.1
254.09319	0.9
254.11702	0.7
269.11719	87.0
286.14386	28.1
448.19681	100.0
497.25839	0.4
515.10797	0.5
601.40350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.5
73.24940	1.1
81.03405	1.8
85.06524	1.2
91.05490	1.4
97.02896	15.6
99.04425	1.7
119.04958	6.8
143.59744	1.1
145.02898	1.6
147.04396	12.9
163.03876	4.5
166.06059	1.1
167.03374	1.6
167.07072	1.8
175.03899	39.9
175.07452	2.0
176.08241	2.0
177.05450	6.0
178.06198	2.6
179.07079	2.1
179.30080	1.2
181.05013	2.1
181.08582	5.8
187.07617	1.4
191.03459	2.1
191.06978	1.9
192.04164	1.4
192.07832	1.4
194.09477	1.3
195.10030	1.6
203.07022	1.6
204.07800	2.0
205.04907	11.2
205.08626	1.4
207.06516	85.4
207.09947	12.5
209.08058	1.7
219.06503	7.0
219.10156	6.4
221.08121	2.2
223.06033	17.3
235.09645	5.3
241.08527	1.8
247.09662	2.5
258.09058	1.6
259.09705	4.7
261.11255	2.6
265.10797	5.0
275.09116	1.4
289.10648	4.8
290.08054	2.8
303.08640	1.8
304.05969	2.5
305.06229	2.0
318.07608	6.2
319.08295	40.4
320.08859	17.9
321.09421	9.0
325.09189	1.9
334.10724	100.0
335.11072	31.6
336.11612	14.0
337.12201	1.5
339.10751	2.1
355.10001	2.6
513.17389	4.9
531.18689	4.7
543.18341	5.7
561.19452	1.4
723.24780	1.6
735.49872	1.5
755.89508	1.3
844.33569	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.328
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81298	0.8
68.91129	0.9
76.17173	0.9
107.38348	0.9
121.06543	1.4
148.81752	1.0
152.83293	0.8
166.73901	0.9
169.95786	0.9
189.30205	1.0
214.01160	0.9
278.08328	1.0
290.08090	1.5
294.11374	3.6
299.20303	1.0
304.06146	1.2
306.11273	3.6
308.09253	3.7
318.07788	1.9
319.08304	12.1
320.09082	11.2
320.13019	7.0
321.09860	1.7
322.10840	4.7
323.11603	9.1
324.12430	5.5
334.10733	25.1
334.14066	2.2
335.10876	13.1
335.13892	2.3
336.12241	15.0
337.13150	2.1
338.13766	25.8
349.15628	2.2
360.57339	1.2
441.17798	1.4
452.15366	1.4
457.21399	6.2
484.17725	2.0
605.23230	1.8
615.21136	1.0
617.23340	1.3
619.24200	1.1
629.23041	2.2
631.23822	3.9
633.22369	3.8
647.23834	16.0
649.25507	1.0
661.25525	6.3
724.43073	1.1
757.56940	1.0
845.32715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05476	0.9
113.78554	0.5
119.04936	3.2
147.04381	3.5
175.03900	10.2
207.06496	9.4
277.59100	0.6
292.06131	4.7
304.05988	0.7
318.07587	0.7
319.08362	3.9
320.05429	5.5
320.09219	3.8
321.06296	15.1
321.09711	1.3
322.10968	0.6
334.10678	12.6
336.08643	100.0
369.11783	2.3
478.11273	27.8
640.16595	14.1
812.67371	0.7
846.19269	4.3
846.35303	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	6.5
81.03418	0.7
83.04993	2.3
85.02906	2.2
91.05465	2.8
92.21580	0.7
99.04482	0.7
99.84117	0.5
103.03938	0.7
107.08595	10.1
111.04431	3.3
119.08570	100.0
129.05461	2.8
133.06429	1.9
135.08044	35.3
147.06497	2.2
234.41489	0.6
236.32455	0.5
258.68021	0.6
264.79581	0.6
278.13684	0.6
281.13797	2.7
415.21112	36.4
432.23770	1.3
815.13837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64885	2.0
159.87027	1.8
227.48828	1.8
231.37643	1.9
285.63223	2.1
304.06116	2.9
306.07535	14.2
318.07935	2.3
319.08627	4.3
320.05746	4.0
320.09296	4.0
334.07086	53.4
334.10632	5.6
335.07928	8.5
336.12302	2.5
349.09644	10.1
350.10434	8.6
442.13412	3.4
470.12387	52.8
498.11932	7.6
661.95593	2.6
774.01013	2.2
847.21191	100.0
847.37366	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	3.3
67.05511	0.9
69.03442	1.5
73.02931	3.2
77.96371	0.7
81.07101	0.6
83.08649	0.8
85.02906	4.9
87.15940	0.7
91.03973	3.4
92.21568	1.2
95.08630	1.0
97.02894	3.9
97.10152	1.0
99.04456	0.8
101.02412	0.7
109.10196	0.9
125.09641	1.6
127.03936	1.1
128.94362	0.7
147.59407	0.8
185.04195	0.7
189.11218	2.4
203.05316	1.1
211.09459	1.5
243.08522	0.9
247.10371	0.9
285.11853	1.0
313.27545	1.5
347.09433	7.7
365.10410	1.6
405.13553	5.9
429.17392	21.3
463.14325	0.9
497.30899	10.4
587.46179	0.9
591.22729	13.6
659.35901	10.6
685.40680	5.7
818.83716	0.8
847.46527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19763	0.2
80.22825	0.2
89.96367	0.2
90.55705	0.2
96.68884	0.2
290.07935	0.3
292.09531	1.9
318.07648	0.3
319.08353	0.9
320.09158	100.0
322.10321	0.2
334.10782	2.0
350.10269	0.3
366.54105	0.2
444.19952	0.2
505.68433	0.2
735.29071	0.2
736.19720	0.2
746.03900	0.2
848.34888	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60606	0.2
76.41188	0.3
85.43171	0.3
113.39488	0.3
114.99209	0.2
138.06857	0.3
218.67635	0.4
239.68745	0.3
248.59622	0.3
259.60303	0.3
268.50781	0.3
290.08118	4.6
302.08105	1.1
304.05991	3.1
318.07532	4.7
319.08377	28.4
320.05838	0.3
320.09094	1.5
322.10596	0.4
334.10718	100.0
335.11084	0.3
336.12405	1.5
379.01715	0.3
409.45490	0.3
493.66577	0.3
686.27618	0.3
848.34857	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80266	0.2
92.20933	0.3
113.63615	0.2
131.90758	0.2
220.06435	0.3
277.07538	0.3
292.09692	1.7
318.07422	0.4
319.08359	0.4
320.09164	100.0
334.10870	2.1
336.12152	0.6
338.05109	0.2
341.71631	0.2
848.34882	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71786	0.8
61.02932	22.1
67.05505	6.5
69.03440	0.9
69.07078	4.8
71.08631	26.1
71.16782	1.0
73.02913	9.4
74.64572	1.0
75.04461	1.3
81.07059	17.4
83.08621	12.4
85.02908	35.0
85.03345	1.3
85.10184	21.5
89.06005	1.4
90.12942	0.9
91.03947	30.3
93.40365	0.9
95.08606	25.1
96.92011	0.8
97.02885	16.4
97.10178	11.4
99.04457	3.6
103.07605	1.1
109.10153	17.6
111.11705	3.6
115.03998	1.5
116.36763	1.1
123.11720	8.7
127.03929	11.6
137.13286	1.7
145.04970	17.6
154.89400	1.0
163.05992	25.4
198.37181	0.9
226.83138	1.0
229.06805	1.1
253.25266	7.6
271.26233	2.2
272.44403	1.2
297.56982	0.9
325.11209	10.4
327.28934	45.9
336.12289	1.9
345.29980	100.0
365.03421	1.1
390.79782	1.0
848.44720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41415	0.2
62.37287	0.2
114.09111	0.4
171.30611	0.3
197.86151	0.3
209.16502	0.3
276.06171	0.3
290.08109	7.3
294.23447	0.3
302.08041	2.2
304.06039	7.0
318.07602	8.8
319.08389	48.5
320.09134	0.5
321.09869	1.0
334.10721	100.0
336.12283	1.5
688.23608	0.3
806.30573	0.4
850.15167	1.4
850.29120	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76028	0.3
61.99495	0.3
68.36846	0.3
68.94814	0.4
69.03443	0.5
73.02924	2.8
85.02915	0.7
85.62897	0.3
92.12155	0.3
97.02922	0.6
99.04456	0.4
114.09206	1.6
140.25937	0.4
174.05510	0.8
187.06258	0.6
209.16545	0.6
283.95383	0.3
290.08209	1.9
302.08365	1.9
304.06116	0.5
305.06921	0.4
314.04105	0.4
318.07648	2.8
319.08344	10.4
319.11899	0.5
320.09146	12.3
321.09720	1.6
323.11459	0.4
334.10724	25.7
335.11102	3.2
336.12152	5.5
337.13260	0.5
365.17709	0.6
371.11771	0.5
462.17328	0.4
492.18411	1.6
494.19348	0.3
506.19873	0.5
510.18887	1.4
520.21307	1.5
524.20978	1.3
538.22382	4.6
540.20270	1.7
556.23022	2.4
718.28503	1.4
850.32855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89177	0.7
69.03441	5.4
77.36766	0.7
81.03433	1.0
85.02917	3.6
87.04482	0.8
97.02916	1.9
97.18466	0.8
99.04456	0.9
107.08525	0.8
134.46680	0.7
139.11159	6.0
176.06331	0.7
203.88147	0.7
279.57053	0.9
290.08176	1.6
318.07602	1.7
319.08359	12.7
320.09027	13.6
321.09808	3.5
322.10751	12.2
334.10733	32.3
335.11130	14.2
336.12225	41.3
356.09415	1.3
382.10977	1.5
386.10382	3.6
396.12302	5.5
397.13010	0.8
410.14127	4.2
411.14679	7.5
412.15503	3.4
437.12778	1.2
438.13565	1.2
452.14777	8.1
453.15939	3.3
464.18765	3.7
466.16852	1.0
476.18423	1.1
478.16406	9.1
482.19717	1.1
492.18039	11.1
493.18594	7.0
494.19702	1.2
496.17624	3.2
508.21176	40.7
510.19327	5.1
511.20282	4.3
526.22284	79.9
568.22729	1.2
688.27795	3.6
780.16577	1.0
850.33057	100.0
870.60614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76028	0.3
61.99495	0.3
68.36846	0.3
68.94814	0.4
69.03443	0.5
73.02924	2.8
85.02915	0.7
85.62897	0.3
92.12155	0.3
97.02922	0.6
99.04456	0.4
114.09206	1.6
140.25937	0.4
174.05510	0.8
187.06258	0.6
209.16545	0.6
283.95383	0.3
290.08209	1.9
302.08365	1.9
304.06116	0.5
305.06921	0.4
314.04105	0.4
318.07648	2.8
319.08344	10.4
319.11899	0.5
320.09146	12.3
321.09720	1.6
323.11459	0.4
334.10724	25.7
335.11102	3.2
336.12152	5.5
337.13260	0.5
365.17709	0.6
371.11771	0.5
462.17328	0.4
492.18411	1.6
494.19348	0.3
506.19873	0.5
510.18887	1.4
520.21307	1.5
524.20978	1.3
538.22382	4.6
540.20270	1.7
556.23022	2.4
718.28503	1.4
850.32855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59041	0.2
67.59821	0.2
75.20005	0.2
83.00373	0.2
92.63205	0.3
119.82533	0.2
123.40262	0.2
136.00317	0.2
137.05942	0.3
157.34206	0.2
168.78030	0.2
192.98895	0.2
224.24257	0.2
249.93680	0.3
290.08139	0.4
291.09140	0.3
292.09644	7.7
304.09521	1.3
306.07581	2.6
319.08356	3.1
320.09119	8.6
321.09961	24.2
334.10727	6.4
335.11185	0.9
336.12299	100.0
337.12643	1.1
338.13611	0.5
352.15363	0.4
454.16605	0.3
516.83429	0.3
712.35938	0.2
850.36737	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.3
67.05511	24.4
69.07078	16.8
69.92065	2.2
73.02941	3.7
79.05504	15.9
81.07066	32.6
83.08133	3.7
83.08622	89.4
85.02917	12.1
86.48545	2.3
87.19736	2.4
91.03965	4.8
91.05492	4.9
93.07050	33.4
95.08611	36.8
97.02894	3.8
105.07031	10.5
107.08596	23.2
109.10165	21.4
111.08070	57.2
119.08608	11.7
121.06487	4.0
121.10172	20.2
123.11684	10.3
123.88755	2.4
126.92365	2.4
129.09085	11.2
131.08560	9.7
133.10098	5.2
135.11708	13.2
139.07535	5.1
145.10152	4.5
147.11699	10.0
149.13303	9.1
157.08612	28.1
159.11684	5.9
173.13257	4.9
175.09660	55.0
177.44060	2.4
213.11217	68.5
231.10051	4.5
231.12276	78.9
243.21104	4.9
261.22073	28.2
318.31989	3.0
325.25229	2.3
335.25797	84.7
336.12375	4.8
387.69138	2.6
473.32562	11.9
491.27008	4.7
491.33676	100.0
509.34686	39.6
850.45776	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11814	0.5
69.03428	0.6
70.06579	0.7
70.08832	0.6
73.35108	0.7
73.56783	0.6
76.44492	0.7
84.71796	0.7
85.02866	0.8
97.02914	0.7
104.21857	0.6
107.82260	0.6
126.45277	0.8
210.17519	0.6
256.37033	0.8
290.08081	1.3
318.07892	2.7
319.08353	6.0
320.05469	0.7
320.09088	4.2
334.10718	14.9
335.11075	4.2
336.12396	2.6
370.90842	0.7
539.75879	0.8
585.17322	0.9
589.69495	0.7
613.15997	5.3
628.19287	0.8
629.15668	2.5
630.17261	0.7
631.17035	8.3
641.15308	8.2
644.16040	1.1
645.18585	13.8
645.28656	1.0
655.17059	3.2
656.18060	7.8
657.18646	1.3
659.16602	36.8
673.17920	2.8
674.19122	10.3
689.21222	8.6
750.40784	0.9
851.26422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21492	0.2
115.02320	0.2
126.39361	0.2
145.16287	0.2
164.01781	0.2
177.05423	0.4
272.27859	0.2
276.06400	0.3
290.08084	11.0
292.09433	0.2
302.08075	2.6
303.08795	0.3
304.05997	8.3
304.09485	0.3
308.09396	0.2
318.07584	11.3
319.08371	57.5
320.08981	2.3
321.09583	0.5
334.10712	100.0
335.11044	2.2
336.12238	2.0
337.13083	0.3
350.10193	0.9
352.15530	0.4
382.88147	0.2
387.87552	0.2
411.42145	0.3
472.17551	0.4
496.17691	0.5
852.28381	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55928	0.3
65.66171	0.3
65.89534	0.3
77.83593	0.3
79.10989	0.3
111.01813	0.3
115.55273	0.3
276.06467	0.4
290.08066	10.8
302.08041	2.6
304.06009	8.4
304.08981	0.4
318.07584	13.1
319.08377	59.6
320.08948	3.2
321.09262	0.5
322.10944	0.4
332.57864	0.3
334.10721	100.0
335.11087	5.4
336.12021	4.5
468.09186	0.3
647.73578	0.4
852.28363	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14146	0.3
69.33132	0.3
71.71020	0.3
76.86227	0.2
82.20071	0.3
90.55506	0.3
94.35341	0.2
176.07002	0.4
292.09683	8.0
304.09619	1.9
306.07669	2.2
318.07541	0.4
319.08353	1.8
320.09131	10.6
321.09943	28.1
334.10657	4.2
335.11179	2.9
336.12292	100.0
337.12527	1.1
338.13861	2.9
586.24402	0.4
690.25177	0.5
852.30103	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
72.28033	0.2
142.08543	0.2
168.05893	0.2
174.34692	0.2
195.81554	0.2
270.05441	0.2
274.09424	0.2
278.08075	0.2
291.08725	0.2
292.09671	7.7
304.09653	1.1
306.07590	2.7
319.08075	0.3
320.09146	8.9
321.09943	26.2
334.10571	0.8
335.11005	0.9
336.12283	100.0
458.43015	0.2
745.18573	0.2
852.30396	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14146	0.3
69.33132	0.3
71.71020	0.3
76.86227	0.2
82.20071	0.3
90.55506	0.3
94.35341	0.2
176.07002	0.4
292.09683	8.0
304.09619	1.9
306.07669	2.2
318.07541	0.4
319.08353	1.8
320.09131	10.6
321.09943	28.1
334.10657	4.2
335.11179	2.9
336.12292	100.0
337.12527	1.1
338.13861	2.9
586.24402	0.4
690.25177	0.5
852.30103	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82516	0.2
80.59130	0.3
94.97922	0.3
105.77039	0.2
131.04921	0.3
281.11810	0.3
290.08121	5.0
291.08813	0.3
302.07962	2.2
304.06006	4.7
318.07581	7.4
319.08395	35.4
320.08975	3.0
321.09354	1.2
334.10730	100.0
335.07703	0.3
335.11172	4.2
336.11896	2.9
350.10260	2.0
372.08304	0.3
573.28955	0.3
753.76294	0.3
834.33325	0.3
852.27155	9.2
852.38464	7.1
884.28705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.2
69.03433	10.2
70.00142	0.4
71.04986	1.1
72.42857	0.4
73.02907	3.2
81.03422	3.4
85.02906	100.0
85.06548	4.5
87.04484	2.2
91.03959	11.3
97.02892	21.4
99.04474	6.2
100.38323	0.5
101.02386	0.6
103.07596	5.7
109.02883	8.3
109.06507	0.5
111.78977	0.5
115.03940	1.8
116.22185	0.5
124.31370	0.4
127.03905	38.9
145.04958	54.1
163.06009	13.7
163.07295	0.8
173.04480	0.7
188.72414	0.5
211.09419	0.5
217.10637	4.2
229.10756	2.7
239.13870	0.5
247.11758	8.1
265.12796	11.7
269.17459	0.5
289.09216	2.3
325.11270	37.0
353.08389	0.6
427.18085	2.5
487.16425	0.8
507.75983	0.5
519.12445	0.5
762.78363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
77.98046	0.5
101.48548	0.4
290.08121	10.4
292.09732	0.9
302.07990	3.3
304.06046	9.3
318.07626	13.2
319.08383	56.9
320.09177	21.3
320.12204	0.5
322.10696	1.9
334.10727	100.0
336.12201	4.7
536.07092	0.5
630.03577	0.5
854.27045	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59953	0.1
85.28287	0.1
110.95449	0.2
124.03295	0.2
159.60616	0.2
189.89523	0.2
276.06390	0.4
290.08127	8.9
302.08118	2.8
304.06033	7.8
304.09555	0.2
318.03839	0.3
318.07617	11.7
319.08389	52.2
320.09122	0.3
334.10736	100.0
385.15900	0.2
608.63464	0.2
854.28668	39.7
867.83759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59953	0.1
85.28287	0.1
110.95449	0.2
124.03295	0.2
159.60616	0.2
189.89523	0.2
276.06390	0.4
290.08127	8.9
302.08118	2.8
304.06033	7.8
304.09555	0.2
318.03839	0.3
318.07617	11.7
319.08389	52.2
320.09122	0.3
334.10736	100.0
385.15900	0.2
608.63464	0.2
854.28668	39.7
867.83759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79786	0.3
59.98821	0.3
61.68172	0.3
68.81867	0.3
69.45898	0.3
93.87959	0.3
117.60213	0.3
118.82894	0.3
125.81896	0.3
140.59227	0.3
162.77570	0.3
183.88463	0.4
290.08093	8.7
302.08093	2.4
304.06042	8.2
318.07590	11.3
319.08386	53.0
320.09207	2.3
334.10718	100.0
335.10794	0.5
336.11841	0.5
367.11465	0.3
854.28583	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
77.00230	0.2
168.46045	0.2
209.36560	0.2
273.07565	0.3
276.06232	0.3
290.08093	8.8
302.08139	2.2
303.08713	0.3
304.06036	9.4
305.06909	0.2
318.03918	0.2
318.07617	10.1
319.08383	53.6
320.09134	1.9
334.10724	100.0
336.12244	0.8
344.16971	0.2
684.59943	0.2
854.28632	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90692	0.1
63.29062	0.1
70.78972	0.1
93.74442	0.1
135.51343	0.1
139.30765	0.1
154.36551	0.1
156.50693	0.1
239.50475	0.1
273.07645	0.1
276.06601	0.2
289.87051	0.1
290.08096	8.8
302.08127	3.1
303.08960	0.2
304.06033	7.7
304.09586	0.2
305.06595	0.1
318.03760	0.2
318.07602	11.2
319.08386	54.4
334.10724	100.0
336.12555	0.1
386.10156	0.3
418.81601	0.1
854.28607	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32298	0.2
71.69135	0.2
133.06361	0.3
149.54172	0.2
161.05901	0.3
167.06978	0.8
173.13831	0.2
193.08618	0.4
199.69221	0.2
235.43851	0.2
273.07776	0.2
276.06558	0.4
290.08093	8.8
302.08066	3.3
303.08984	0.2
304.05984	8.2
318.03839	0.4
318.07593	12.3
319.08368	56.5
320.09103	0.4
334.10706	100.0
350.10175	1.9
674.29730	0.3
724.05750	0.2
751.48035	0.2
836.28937	0.2
854.30103	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57482	0.3
79.82944	0.3
92.21522	0.7
169.89604	0.4
290.08099	8.2
302.08057	2.0
304.06009	9.0
318.07565	11.0
319.08377	51.5
320.09018	1.7
334.10706	100.0
506.93295	0.5
559.12048	0.4
587.24036	0.5
616.00708	0.4
816.81842	0.4
820.83472	0.4
854.30060	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20125	0.2
79.88036	0.2
82.56272	0.2
83.61099	0.2
85.02813	0.2
92.21435	0.3
127.07552	0.2
128.09496	0.2
173.93475	0.2
276.06448	0.2
290.08096	9.4
298.16452	0.2
302.08176	2.7
304.06018	8.6
318.07599	12.7
319.08395	51.3
320.09152	1.2
334.10730	100.0
336.12445	0.9
854.30157	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00613	0.2
80.95889	0.2
120.91107	0.2
146.88055	0.2
147.30727	0.2
227.49431	0.2
276.06250	0.4
290.08081	9.5
302.08130	3.0
304.06036	8.3
304.09515	0.2
318.03827	0.4
318.07587	13.6
319.08368	55.1
320.09155	1.0
334.10706	100.0
336.12228	0.4
338.14102	0.3
362.92075	0.3
703.98529	0.2
854.30017	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78393	0.1
94.61565	0.2
103.90432	0.1
162.54530	0.2
191.27341	0.2
273.07889	0.2
276.06805	0.3
290.08090	8.2
302.08139	2.1
303.08911	0.2
304.06039	8.4
318.03809	0.3
318.07584	11.1
319.08389	52.2
320.09045	2.2
321.09857	0.3
322.10745	0.2
323.11502	0.4
334.10727	100.0
335.11090	0.4
336.12186	1.0
338.13934	1.1
395.96988	0.2
412.10043	0.2
712.44159	0.2
854.30151	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05169	0.2
65.67473	0.2
67.37198	0.2
67.51392	0.2
86.93313	0.2
99.74947	0.2
120.30285	0.2
167.06892	0.3
174.05530	0.3
253.21439	0.3
290.08066	8.3
302.08090	2.0
304.06052	7.5
304.09338	0.4
318.07605	11.0
319.08383	52.3
320.09106	4.0
334.10724	100.0
335.10974	1.1
336.11771	0.4
633.10822	0.3
674.23779	0.6
854.30109	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74207	0.2
61.45859	0.2
62.72773	0.2
77.64342	0.2
78.36158	0.2
92.21606	0.2
111.89182	0.3
132.77025	0.2
142.60278	0.2
210.04634	0.2
213.50688	0.3
276.06360	0.4
278.69626	0.2
290.08081	8.3
302.08075	2.8
304.06000	8.2
304.19553	0.3
318.03815	0.4
318.07571	11.1
319.08386	50.2
334.10721	100.0
609.70398	0.3
854.30157	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.6
67.05486	4.8
69.07073	4.5
71.08627	8.7
71.46622	3.7
81.07056	39.5
85.10166	7.8
91.03962	5.5
95.08627	8.1
105.07028	5.0
107.36536	4.8
110.63602	4.1
123.11682	4.3
147.11693	23.0
165.12752	26.5
239.16354	7.5
313.27374	100.0
320.09125	5.3
331.28430	6.0
416.91721	5.4
432.59833	4.3
477.39441	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26009	0.1
73.59462	0.1
75.52933	0.1
77.04478	0.1
161.68207	0.1
173.07129	0.2
269.00558	0.2
276.06445	0.6
290.08078	10.3
291.08618	0.5
292.09213	0.2
302.08142	2.7
303.08813	0.2
304.06036	7.6
305.06519	0.4
306.06580	0.2
318.07593	11.7
319.08377	54.7
320.08716	4.6
321.09171	2.2
334.10721	100.0
335.11066	7.8
336.11728	4.7
341.06802	0.2
366.56192	0.2
386.10178	0.3
856.28247	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26009	0.1
73.59462	0.1
75.52933	0.1
77.04478	0.1
161.68207	0.1
173.07129	0.2
269.00558	0.2
276.06445	0.6
290.08078	10.3
291.08618	0.5
292.09213	0.2
302.08142	2.7
303.08813	0.2
304.06036	7.6
305.06519	0.4
306.06580	0.2
318.07593	11.7
319.08377	54.7
320.08716	4.6
321.09171	2.2
334.10721	100.0
335.11066	7.8
336.11728	4.7
341.06802	0.2
366.56192	0.2
386.10178	0.3
856.28247	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.28
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81947	0.3
86.50333	0.3
91.21603	0.3
130.61511	0.3
135.82683	0.3
161.56073	0.3
163.79909	0.4
276.06439	0.4
283.75119	0.4
290.08121	10.5
292.09631	1.5
300.56192	0.4
302.08072	2.5
304.06018	10.1
306.07343	0.6
318.07584	12.3
318.11157	0.6
319.08377	54.7
320.08911	6.0
321.09912	6.4
334.10712	100.0
335.11142	4.7
336.12265	32.0
427.61624	0.3
532.65472	0.4
546.76788	0.3
856.28351	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76109	0.4
62.85747	0.4
63.15577	0.4
72.43645	0.5
76.72443	0.4
111.78280	0.4
139.56989	0.5
141.75369	0.4
146.81880	0.4
146.98572	0.4
157.23680	0.4
175.24063	0.5
242.42537	0.5
290.08099	9.2
292.09683	0.7
302.08063	2.2
304.05997	11.0
309.91287	0.5
318.07599	10.7
319.08389	52.3
320.08841	3.3
321.09756	3.4
334.10727	100.0
335.11053	1.9
336.12225	12.7
694.65924	0.6
856.28229	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91269	0.3
61.54602	0.3
62.17982	0.3
67.85748	0.4
84.29278	0.3
85.13652	0.3
86.05968	0.3
95.83882	0.3
97.34377	0.3
114.70692	0.4
119.43123	0.4
270.45197	0.4
290.04971	0.6
290.08124	11.2
292.09641	6.4
302.08118	2.1
303.08957	0.4
304.06100	8.3
304.09827	1.4
305.06729	0.6
306.07538	1.5
318.07574	12.8
319.08386	56.3
320.09100	7.7
321.09961	20.1
321.12891	0.4
334.10730	100.0
335.11084	2.1
336.12286	76.9
402.65732	0.5
452.26282	0.4
470.94000	0.4
728.27301	0.4
856.28351	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09454	0.2
73.48708	0.2
75.99380	0.3
89.17749	0.2
89.77524	0.2
139.63730	0.3
149.13530	0.4
272.21829	0.3
276.06400	0.4
290.08096	10.4
302.08005	2.8
304.06039	7.4
318.07578	12.6
319.08368	56.7
320.08948	1.4
321.09616	0.6
323.11264	0.3
334.10703	100.0
335.11142	0.3
336.12286	2.7
338.14047	0.5
530.15216	0.4
544.39398	0.3
666.22406	0.4
856.28082	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49598	0.4
69.24741	0.3
71.11671	0.4
91.05454	1.5
119.04920	0.5
134.34845	0.4
137.05913	2.5
138.01889	0.4
139.09720	0.4
147.12268	0.4
174.05446	0.9
188.25117	0.5
188.56093	0.4
217.51297	0.4
274.07245	0.4
279.08707	0.6
283.21033	0.4
286.01248	0.4
290.08096	4.5
292.09857	0.6
302.08121	0.9
304.06100	3.4
307.08423	0.8
308.09387	0.5
318.07559	4.9
319.08389	33.6
320.09158	7.0
321.09839	3.7
322.10757	13.2
323.11588	0.4
334.10730	100.0
335.11060	2.6
336.12283	16.8
338.13989	0.7
343.08469	0.8
367.12061	1.3
371.08377	0.5
386.10242	2.3
404.11261	0.9
540.16809	2.0
639.15540	0.5
702.21991	1.0
856.28363	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45706	0.3
65.08688	0.3
80.54359	0.4
81.02174	0.3
96.13321	0.3
174.31308	0.3
276.06448	0.4
290.08072	10.2
302.08038	2.8
304.06030	9.5
318.07562	12.5
319.08383	57.3
320.08939	1.6
328.12573	0.3
334.10718	100.0
335.11133	0.5
336.12262	2.5
338.13696	0.4
548.62781	0.4
773.93982	0.4
856.28052	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39136	0.3
97.56750	0.3
118.62968	0.4
202.67673	0.4
215.39282	0.4
249.98108	0.3
269.93701	0.4
290.08069	9.7
291.08600	0.5
302.08099	1.9
304.06000	9.5
304.09161	0.6
305.06586	0.5
318.07639	12.8
319.08383	56.2
320.08807	5.9
321.09335	2.4
334.10730	100.0
335.11005	9.9
336.11816	6.2
554.35138	0.5
760.06824	0.4
847.04712	0.4
856.28406	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49598	0.4
69.24741	0.3
71.11671	0.4
91.05454	1.5
119.04920	0.5
134.34845	0.4
137.05913	2.5
138.01889	0.4
139.09720	0.4
147.12268	0.4
174.05446	0.9
188.25117	0.5
188.56093	0.4
217.51297	0.4
274.07245	0.4
279.08707	0.6
283.21033	0.4
286.01248	0.4
290.08096	4.5
292.09857	0.6
302.08121	0.9
304.06100	3.4
307.08423	0.8
308.09387	0.5
318.07559	4.9
319.08389	33.6
320.09158	7.0
321.09839	3.7
322.10757	13.2
323.11588	0.4
334.10730	100.0
335.11060	2.6
336.12283	16.8
338.13989	0.7
343.08469	0.8
367.12061	1.3
371.08377	0.5
386.10242	2.3
404.11261	0.9
540.16809	2.0
639.15540	0.5
702.21991	1.0
856.28363	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
109.89815	0.3
176.70638	0.3
276.06226	0.5
289.12939	0.3
290.08102	9.2
292.09668	4.3
302.08139	3.1
304.06042	8.4
304.09390	0.5
306.07507	1.2
318.07596	13.5
319.08377	52.1
320.09103	6.6
321.09906	11.7
334.10721	100.0
335.11005	1.7
336.12277	62.6
410.37839	0.4
732.67462	0.3
856.28210	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35471	0.4
86.32074	0.4
89.31868	0.4
101.51917	0.5
104.37848	0.5
113.26111	0.5
124.60649	0.5
127.88114	0.4
148.33833	0.5
151.03947	0.5
276.06381	0.5
290.08121	10.3
292.09778	1.8
302.08148	2.3
304.06079	6.8
304.09280	0.7
318.07568	13.3
319.08383	57.8
320.08963	6.0
321.09702	4.0
334.10724	100.0
335.11191	4.3
336.12244	21.0
337.13300	0.7
337.63208	0.6
856.27618	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45677	0.1
72.84100	0.2
73.98468	0.1
74.64330	0.1
74.82431	0.1
77.92715	0.2
113.58301	0.2
132.35243	0.2
167.07008	0.3
181.04846	0.2
276.06702	0.2
290.08102	9.9
291.08267	0.2
292.09055	0.3
302.08054	2.3
303.08801	0.3
304.06046	9.6
305.06638	0.3
318.03793	0.4
318.07596	11.3
319.08383	53.2
320.08881	3.0
321.09314	1.4
322.10550	0.2
334.10724	100.0
335.11047	3.8
336.11942	4.1
356.51718	0.2
386.09909	0.2
548.34723	0.2
694.26196	0.3
856.28351	40.4
883.06964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29728	0.3
87.32659	0.3
103.33242	0.2
114.30622	0.3
121.70712	0.3
122.13328	0.3
236.30504	0.3
290.08096	2.8
291.08734	0.4
292.09662	5.5
297.64948	0.3
300.41461	0.3
302.08203	0.5
304.06039	2.9
304.09302	0.5
306.07623	1.5
308.09076	0.4
308.12802	0.5
318.07645	3.7
319.08371	16.4
320.09076	11.7
321.09949	17.4
334.10718	29.6
335.11060	4.2
336.12271	100.0
489.00476	0.3
856.29608	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27527	0.2
71.16599	0.2
80.79754	0.2
93.15060	0.2
95.97045	0.2
129.07178	0.2
137.55472	0.2
140.83060	0.2
171.73845	0.2
290.08041	0.9
291.08609	0.4
292.09641	7.8
304.06155	0.4
304.09305	0.6
305.06329	0.2
306.07513	2.2
318.07422	0.9
319.08365	5.5
320.09106	10.8
321.09924	23.4
334.10715	10.3
335.10980	4.5
336.12268	100.0
470.91699	0.2
638.46564	0.3
856.30890	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48664	0.2
91.15994	0.2
92.20940	0.3
134.68529	0.2
176.91756	0.2
198.02307	0.2
278.07983	0.3
290.08014	0.2
291.08469	0.3
292.09656	8.0
304.06158	0.3
304.09637	1.6
305.06482	0.2
306.07645	2.6
318.07797	0.4
319.08353	3.1
320.09088	11.1
321.09924	26.3
322.10599	0.3
334.10748	4.7
335.11066	4.0
336.12265	100.0
415.50723	0.2
468.51505	0.2
559.73810	0.2
582.31958	0.2
582.77759	0.2
856.31195	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
90.61686	0.2
91.03615	0.2
99.44005	0.2
103.25950	0.2
103.84497	0.2
114.13743	0.2
251.50565	0.2
290.08133	2.1
292.09604	1.9
302.07889	0.4
303.09006	0.2
304.06116	1.7
306.07785	0.3
308.09402	0.2
308.12762	1.1
318.07574	2.6
319.08392	10.3
320.09122	11.4
321.09900	6.0
322.10513	1.2
334.10742	19.3
335.11099	2.3
336.12277	100.0
352.08130	0.3
430.91522	0.3
454.01028	0.3
537.10992	0.2
558.84314	0.3
598.97113	0.2
796.55835	0.3
856.31512	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03146	0.2
91.31036	0.2
91.57907	0.2
124.34526	0.2
166.95616	0.3
174.48906	0.3
263.87546	0.2
278.07858	0.3
290.08090	2.7
291.08530	0.3
292.09677	7.1
302.08063	0.9
303.08795	0.3
304.06039	2.4
304.09308	0.7
305.06210	0.3
305.10471	0.2
306.07608	1.4
307.08261	0.5
308.09186	0.4
313.44589	0.2
318.07629	2.9
319.05313	0.3
319.08365	14.9
320.09088	15.2
321.09912	19.5
322.10803	0.3
334.10712	27.1
335.11078	3.4
336.12274	100.0
337.12628	0.3
342.41214	0.2
352.15466	0.4
423.79929	0.2
425.37708	0.2
452.13547	0.3
856.29749	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43745	0.2
83.21974	0.2
185.94597	0.2
206.74937	0.2
267.38098	0.3
290.08069	0.9
291.08438	0.3
292.06509	0.5
292.09650	9.7
304.06171	0.5
304.09625	1.5
306.07541	2.7
318.07468	1.1
319.08374	5.9
320.09109	11.6
321.09943	25.9
334.06790	0.4
334.10718	9.3
335.10962	3.2
336.12274	100.0
338.13773	0.9
494.74466	0.3
856.31335	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62927	0.1
68.99297	0.1
75.99998	0.1
77.56306	0.1
83.13791	0.1
90.23019	0.1
118.49905	0.1
224.56126	0.1
275.09616	0.2
278.07706	0.2
290.08023	0.6
292.09662	8.4
292.12943	0.3
304.06055	0.6
304.09711	1.3
306.07623	2.8
307.08350	0.2
318.07657	0.8
319.08377	3.6
320.09143	10.3
321.09958	26.3
334.06741	0.2
334.10739	6.2
335.11154	1.0
336.12292	100.0
337.12924	0.2
338.13864	0.2
352.15366	0.2
606.55225	0.2
856.31262	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65553	0.2
79.94602	0.2
83.87691	0.2
125.70110	0.3
130.72594	0.2
141.79335	0.2
202.84128	0.2
228.49109	0.3
278.07822	0.2
280.67389	0.2
290.08035	1.0
292.09644	8.9
304.06024	1.2
304.09692	2.0
306.07559	3.4
318.07764	1.5
319.08347	6.6
320.09155	11.9
321.09927	28.6
334.10715	11.3
335.11118	2.5
336.12283	100.0
337.12915	0.4
479.28662	0.3
495.06897	0.3
495.14481	0.3
619.02344	0.3
856.31000	17.7
871.80304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41553	0.1
62.36433	0.1
71.10146	0.1
71.52578	0.1
88.14663	0.2
97.51795	0.1
124.80392	0.2
125.94696	0.2
275.09360	0.2
278.07840	0.3
290.08075	0.2
291.08426	0.2
292.09662	8.4
292.12946	0.3
304.06085	0.3
304.09518	1.5
306.07608	2.5
307.08240	0.2
318.07587	0.8
319.08325	1.7
320.09103	9.9
321.09943	24.0
334.10709	3.8
335.11111	2.7
336.12271	100.0
558.36847	0.2
675.97034	0.2
715.16449	0.2
856.31317	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36075	0.3
70.38581	0.3
77.66075	0.4
84.83336	0.4
86.09530	0.4
91.59650	0.3
92.21533	0.5
95.20457	0.4
99.85581	0.4
102.23122	0.3
103.85889	0.4
104.60597	0.4
117.35381	0.4
150.08397	0.4
184.35457	0.4
189.12361	0.4
195.54189	0.4
268.28421	0.4
290.08099	2.7
292.09671	5.4
304.06082	1.9
306.07520	1.7
318.07709	2.9
319.08377	15.2
320.09100	10.6
321.09921	14.9
333.31476	0.4
334.10715	25.9
335.10986	0.8
336.12283	100.0
626.04730	0.4
704.31195	0.4
715.95282	0.5
749.75568	0.4
856.29553	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.316
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65992	0.2
67.44414	0.2
68.68414	0.2
78.64101	0.2
79.85404	0.2
134.51155	0.2
179.22891	0.2
190.51497	0.2
290.08090	0.5
291.08536	0.9
292.09683	6.4
304.05975	1.0
304.09720	0.8
306.07608	2.1
318.07593	1.2
319.08319	6.5
320.09036	11.9
321.09943	18.3
334.10721	10.6
335.11105	5.2
336.12271	100.0
344.89685	0.2
428.62662	0.3
450.21692	0.2
539.56036	0.2
786.18365	0.2
822.91730	0.2
856.30994	14.1
884.85291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	41.3
61.78926	2.8
62.30878	3.0
67.05508	36.5
68.88322	2.6
69.07065	3.5
73.02911	15.8
74.33979	2.5
79.05487	21.4
80.10437	2.7
81.07058	46.5
83.08635	5.6
85.02430	4.3
85.02908	77.9
91.03950	80.2
91.05474	5.0
93.07034	27.5
93.22501	2.6
95.08586	41.2
97.02907	32.0
97.10176	4.2
99.04467	5.4
105.06998	6.4
107.08611	30.4
109.10137	27.6
117.06995	4.5
119.08559	23.0
121.10103	29.0
123.11710	14.3
124.31488	2.8
127.03929	24.2
131.08562	12.6
133.10123	13.2
135.11708	31.9
145.04965	23.6
145.10098	10.2
147.11694	15.1
149.13261	15.8
159.11778	11.4
161.13220	13.9
163.06004	37.4
163.14792	4.0
173.13235	13.7
175.14841	3.4
177.16324	3.9
187.14769	5.1
200.60477	3.1
226.14262	3.1
243.21031	13.7
257.27527	3.7
261.22095	47.3
275.32437	3.1
290.26935	4.7
308.93594	3.1
325.11456	12.0
335.25781	20.9
336.12186	4.9
353.26840	100.0
369.24051	3.8
423.27365	26.0
497.30939	4.9
830.01251	3.5
856.40936	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	38.2
61.13214	0.9
67.05508	25.7
69.03436	3.8
69.07062	5.2
71.04986	2.4
73.02919	15.5
79.05491	11.9
81.03436	1.1
81.07064	39.2
83.08627	4.6
85.02908	64.6
85.06543	1.8
85.71746	0.9
91.03957	64.0
91.05481	7.3
93.07044	23.8
95.08600	35.6
97.02898	30.8
97.06525	1.3
97.10183	2.3
99.04443	3.9
103.03947	1.6
105.07049	8.6
107.08593	19.7
109.02873	3.7
109.10156	25.0
115.03935	2.2
117.06992	1.9
119.08576	7.6
121.10143	24.2
123.11699	11.6
125.09702	1.2
127.03897	19.0
131.08540	10.0
133.10118	8.1
135.11687	22.3
137.13245	4.5
145.04951	28.0
145.10092	10.2
147.11736	8.1
149.13239	16.7
151.11322	1.2
151.14818	1.4
159.11659	8.4
161.13249	7.5
163.06026	34.4
163.07271	1.5
163.14821	9.6
173.13240	10.7
175.14745	2.2
177.16354	4.4
179.14227	1.3
187.14803	7.0
198.25014	1.0
201.16350	1.3
208.59967	1.0
233.22652	1.0
243.21005	14.4
261.22119	47.1
295.23953	1.2
325.11285	13.4
334.10568	2.1
335.25830	21.2
353.26846	100.0
497.30969	12.0
650.17841	1.1
659.36066	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84315	0.9
60.46465	0.8
61.02640	1.7
61.02936	42.6
61.03246	1.5
63.78432	1.0
67.05511	28.0
69.03425	2.6
69.07082	1.7
71.08612	1.2
73.02921	13.4
79.05503	12.2
81.03417	1.4
81.07069	34.1
83.08618	2.4
85.02911	61.9
91.03961	56.7
91.05475	7.8
93.07038	24.5
95.08614	26.4
97.02904	30.8
97.10218	1.1
99.04447	1.3
100.00694	1.1
105.07021	4.7
107.08595	17.3
109.02908	1.5
109.10152	19.3
115.03953	1.3
117.07040	2.6
119.08569	6.6
121.10148	21.4
123.11717	6.6
127.03920	20.3
131.08580	11.6
133.10130	9.2
135.11703	20.7
137.09581	1.3
137.13304	1.5
145.04971	23.5
145.10094	6.9
147.11699	7.4
149.13264	17.8
159.11682	6.7
161.13248	8.5
163.06029	42.8
163.13628	1.1
163.14807	8.6
165.12718	1.1
173.13272	10.3
175.14841	1.7
177.16328	2.7
187.14799	8.7
201.16461	1.8
211.51508	1.1
231.83434	1.0
233.22661	1.2
233.77934	1.1
243.21085	16.2
261.22141	46.8
314.02954	1.2
325.11252	17.4
335.25833	12.5
353.26871	100.0
384.88446	1.2
497.31180	5.4
612.82220	1.3
651.70605	1.2
867.02118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	41.9
63.16704	1.1
64.78986	1.3
65.03938	1.3
67.05221	1.5
67.05508	22.8
69.03423	2.2
69.07073	3.1
73.02926	19.1
79.05502	10.5
81.03411	2.8
81.07059	38.9
83.08594	3.2
85.02908	72.6
85.06540	1.7
91.03951	84.2
91.05468	9.0
93.07042	28.8
95.08603	31.1
97.02882	37.8
97.10175	2.4
99.04431	5.7
103.03938	1.7
105.07043	8.0
107.08604	21.5
109.02912	1.6
109.10159	18.7
115.03915	2.8
117.07009	6.4
119.08563	9.4
121.06453	1.5
121.10139	27.4
123.11689	7.6
127.03919	26.7
131.08569	9.6
133.10095	12.7
135.11697	28.5
137.13252	2.0
140.16461	1.5
145.03966	2.0
145.04971	36.2
145.10135	13.0
147.11668	9.2
149.13264	16.4
159.11668	10.1
161.13257	9.5
163.06009	45.3
163.14772	9.7
169.56424	1.4
173.13226	7.4
175.14813	2.2
177.16374	1.6
185.07977	1.7
187.14883	4.9
197.15385	1.5
197.52113	1.4
201.16412	2.2
233.22630	1.7
243.21033	17.6
261.22089	54.3
286.26807	1.3
321.09833	1.8
325.11298	20.6
335.25739	13.0
336.12415	5.6
349.16907	1.5
353.26859	100.0
410.90417	1.5
492.79803	1.6
497.31299	2.5
690.48553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.7
67.05499	12.1
67.16428	1.8
69.03439	7.0
69.07067	3.2
71.08642	15.2
72.52740	1.8
73.70860	1.6
79.05451	2.6
81.07061	11.3
83.08624	19.7
85.02911	10.9
85.10201	14.0
85.10614	1.6
91.03953	6.8
93.07069	3.3
94.83405	1.7
95.08593	14.9
96.90385	2.0
97.02860	2.9
97.10164	51.7
107.08598	13.2
109.10140	8.3
110.56640	1.9
111.11770	1.8
125.09624	71.7
135.08073	4.1
143.10704	3.8
153.09117	4.2
155.73842	2.0
163.06026	2.2
171.10158	11.2
189.11217	57.5
227.12752	100.0
245.13821	90.0
245.16364	3.1
304.07700	2.1
327.28882	60.3
376.22009	1.9
398.25943	2.2
438.80902	2.1
497.38397	70.3
515.39099	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.9
64.97063	0.2
69.03431	2.2
70.34804	0.2
72.05655	0.2
73.02921	2.6
77.32192	0.2
79.08047	0.2
80.04241	0.2
81.03434	3.2
85.02906	4.0
96.37928	0.2
97.02888	2.8
99.04459	13.4
101.02341	0.3
103.56683	0.2
109.02867	0.9
115.03934	0.6
119.88763	0.2
123.69673	0.2
127.03879	1.7
130.20026	0.2
137.02332	0.5
145.04956	0.9
216.44997	0.3
303.04977	100.0
315.05005	0.4
327.05234	0.3
345.06046	1.6
352.80432	0.3
369.05823	0.4
409.86115	0.3
435.08997	0.3
545.12964	0.3
563.13959	27.2
684.19214	0.3
725.19080	0.3
737.76074	0.3
857.31427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	3.7
60.08163	3.1
60.20459	0.5
65.03941	0.6
74.74892	0.6
78.19581	0.5
78.81525	0.5
91.05485	45.3
92.20856	0.7
108.61117	0.7
145.38397	0.7
181.10283	0.8
184.98630	0.7
187.03841	0.8
199.03940	1.2
215.03389	31.7
216.04150	1.0
239.06918	0.7
243.24640	0.6
253.08322	0.6
263.07016	7.2
274.06451	0.7
281.08066	3.2
290.05490	1.9
291.06525	47.8
303.06555	1.4
308.06787	4.0
309.07571	100.0
320.09137	2.9
321.07538	6.3
381.11099	1.3
399.12259	10.8
427.11856	10.0
563.16974	21.7
858.43640	0.7
865.15192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54797	0.2
61.84100	0.2
73.72585	0.2
111.67994	0.2
127.16680	0.3
249.50935	0.3
276.06375	0.3
290.08069	8.6
302.08109	2.0
304.05988	6.8
306.11221	0.3
318.07581	10.5
319.08380	47.2
320.09122	8.5
322.10092	0.6
334.10721	100.0
335.10995	1.1
336.11871	1.9
337.12207	0.6
338.13602	1.1
538.18420	1.5
858.29669	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51037	0.7
68.54720	0.8
121.74335	0.8
131.04977	3.8
137.06071	1.2
288.09201	0.9
290.08130	2.0
292.09570	1.2
294.11392	5.9
298.45306	0.9
306.07968	1.3
307.08212	1.0
308.09088	6.7
318.07635	2.1
319.08304	12.4
320.09091	22.2
321.09525	9.0
322.10553	12.8
323.11545	21.6
334.10742	22.5
334.14529	1.1
335.11157	11.4
336.12234	33.1
337.12650	19.3
338.13824	64.0
350.14044	1.8
352.15851	4.0
488.17392	4.3
498.19278	1.4
528.19928	1.7
549.50671	1.0
632.23273	1.3
650.24359	5.3
652.25452	5.4
662.24365	1.2
664.25586	5.5
666.24225	4.3
680.25189	9.0
682.26715	1.1
694.25970	6.5
696.27991	13.6
858.32819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88164	0.6
69.03437	3.1
71.05009	0.7
73.02925	7.2
81.03431	10.3
85.02917	13.3
87.04480	1.2
97.02882	3.9
99.04460	100.0
103.03964	3.4
104.68836	0.6
109.02880	2.6
115.80445	0.6
117.05487	3.4
127.03889	6.0
141.05484	3.7
145.05089	1.0
163.03940	3.4
174.44728	0.7
175.07742	0.7
183.06525	0.7
188.07111	1.4
189.07787	1.1
200.50409	0.7
201.05490	1.2
201.07561	1.0
203.06982	1.3
229.04903	1.6
231.10236	0.8
243.06537	1.8
243.08650	8.3
257.11713	0.8
261.09561	7.2
271.06155	1.0
274.41815	0.7
281.11758	1.0
285.11209	1.2
290.08212	0.8
299.12769	3.4
304.05902	1.0
318.07678	2.6
319.08432	13.3
320.09036	7.2
321.09406	1.2
324.12180	1.3
327.12283	3.6
334.10748	24.8
335.11127	3.9
336.12344	5.9
342.13379	1.2
425.15897	1.2
443.16843	5.8
461.18134	6.1
479.19095	4.2
503.17401	1.2
509.18539	0.8
790.33685	0.8
858.30756	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02641	2.6
61.02935	56.7
67.05180	2.4
67.05511	50.4
69.03436	5.4
69.07070	21.8
71.05000	1.3
71.08618	5.4
73.02923	27.8
73.54221	1.3
79.05486	8.3
81.03392	2.0
81.07064	70.4
83.08627	19.5
85.02911	100.0
85.10162	1.8
88.75130	1.3
91.03958	97.9
91.05482	7.7
93.07057	15.4
95.08613	68.3
97.02896	50.7
97.06538	6.5
97.10160	14.0
99.04478	6.1
99.08086	7.3
103.03886	1.8
105.07008	6.6
107.08616	16.9
109.10166	45.1
111.08083	5.4
111.11749	2.5
113.09650	3.3
115.03938	5.3
119.08541	11.1
121.10141	26.7
122.19529	1.7
123.08054	1.6
123.11703	26.5
125.09644	2.2
127.03915	31.6
133.10139	17.5
135.11711	16.9
135.70227	1.5
137.09691	2.2
137.13263	10.3
138.57698	1.5
145.04961	42.5
147.11687	15.3
149.13248	13.7
151.11298	1.5
151.14813	8.3
161.13226	18.3
163.06010	67.4
163.14825	13.8
165.16382	5.7
175.14799	13.1
179.14159	1.9
179.17897	3.3
189.16373	5.8
210.14615	1.4
245.22617	43.8
263.23703	83.3
281.24722	2.1
320.09073	2.9
325.11270	22.8
337.27368	66.6
355.28421	98.2
425.28937	5.5
495.10098	1.5
499.32880	17.7
551.91187	2.0
591.86249	1.7
644.07703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02641	2.7
61.02934	56.3
67.05510	41.3
69.03426	7.3
69.07069	14.9
71.04984	2.7
71.08628	3.5
73.02923	19.4
79.05513	13.0
81.07060	73.3
83.08633	20.0
85.02908	90.2
85.04591	1.4
85.06552	2.1
85.10185	2.5
91.03956	92.4
91.05476	11.9
93.07044	17.8
95.04969	2.0
95.08611	70.3
96.05451	1.4
97.02897	46.9
97.06523	6.7
97.10157	13.6
99.04441	7.8
99.08071	3.4
105.07013	11.9
107.08595	18.7
108.82560	1.3
109.02855	3.1
109.10162	43.6
111.08080	6.0
111.11736	2.9
113.09640	1.5
119.08569	14.2
121.10133	30.3
123.11712	24.4
127.03908	28.4
131.08582	2.3
133.10155	17.0
135.11681	19.6
137.09502	1.7
137.13243	9.5
145.04953	49.7
147.11707	14.9
149.13266	17.3
151.14792	8.1
161.13274	16.9
161.14418	2.2
163.06013	70.9
163.14801	14.1
165.16400	5.6
175.03882	1.6
175.14781	13.5
177.16438	2.7
179.17921	2.6
189.16359	5.9
245.22664	46.6
254.27185	1.5
263.23679	87.5
265.25296	2.4
281.24741	2.9
325.11325	25.4
337.27377	49.8
355.28442	100.0
366.19696	1.9
457.77618	1.5
499.32681	3.1
527.37231	5.7
567.40863	2.3
607.43311	2.4
625.44366	8.5
808.87689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	49.2
67.05509	36.7
67.14371	2.3
69.07068	11.9
71.08607	2.1
73.02911	18.4
79.05486	9.2
81.07064	54.6
83.08617	18.5
85.02906	80.7
85.93469	2.2
91.03958	100.0
91.05460	2.7
93.07059	10.6
95.08613	53.0
97.02905	42.6
97.06555	5.2
97.10181	11.4
99.04462	3.8
105.07008	2.9
107.08595	13.6
109.04451	2.2
109.10172	33.6
115.03976	3.3
119.08594	9.6
121.10133	20.8
123.11686	24.3
127.03938	24.5
133.10139	18.7
135.11699	12.6
137.13191	4.9
143.51984	2.4
145.04977	41.8
147.11710	12.7
149.13271	12.5
151.14882	3.7
161.13257	16.7
163.06013	58.1
163.14783	10.0
175.14822	11.4
177.16418	3.2
189.16415	4.5
245.22612	37.1
251.28680	2.3
256.23611	2.3
263.21155	3.3
263.23700	74.7
263.26544	3.5
272.32632	2.6
287.05426	2.9
320.09109	4.3
325.11185	18.5
337.27399	41.7
355.28461	90.2
390.79590	2.6
400.89523	2.6
523.69666	2.8
708.26294	2.9
871.51593	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	56.7
62.37806	3.6
65.25368	3.5
67.05511	41.4
69.07059	20.0
71.08622	5.6
73.02911	16.7
75.23770	3.7
79.05475	6.5
81.07066	43.1
83.08628	18.8
85.02914	68.1
89.18339	3.7
91.03955	90.8
91.05438	4.2
93.07063	9.1
95.08599	59.9
95.41586	3.8
97.02902	44.4
97.10166	9.1
99.04472	4.6
107.08569	7.4
109.10167	40.3
111.03230	3.8
119.08553	7.8
121.10141	17.6
123.11710	9.5
127.03909	26.9
133.10178	19.4
135.11662	7.9
137.13239	6.0
137.51678	4.3
142.41348	4.4
145.04961	31.8
147.11668	7.0
149.13272	7.0
151.14796	5.1
161.13251	18.0
163.06006	68.6
165.16258	4.6
175.14789	8.3
245.22653	38.8
246.15419	3.9
263.23688	65.0
320.09000	19.0
325.11325	23.1
336.11929	5.4
337.27451	58.7
355.28461	100.0
425.29031	5.8
499.32431	26.3
661.37988	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.39
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39225	0.2
69.03432	100.0
73.71662	0.2
86.06058	3.9
86.74989	0.2
87.04459	0.3
89.06026	0.3
90.71104	0.2
104.07124	1.4
137.04692	0.3
155.07024	18.7
172.09680	0.4
241.10677	6.0
258.13461	0.6
259.11642	0.4
327.14365	5.2
336.12311	0.4
344.17099	1.3
345.15619	1.1
382.01013	0.2
382.23480	0.2
413.18188	1.2
430.20627	1.6
431.19159	0.5
448.22235	0.3
499.21341	0.3
516.24310	1.4
517.22815	0.5
534.25586	0.4
585.25732	0.2
602.28174	0.9
620.28967	0.5
688.31793	0.4
774.35522	0.5
860.39191	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	35.5
61.44069	1.3
64.27320	1.3
65.01859	1.3
65.65142	1.3
67.05496	10.5
67.86559	1.4
69.03434	1.6
69.07073	14.0
71.05002	2.2
71.08632	3.6
72.37029	1.2
73.02925	12.7
79.05489	2.9
81.07069	24.0
83.08627	19.7
85.02434	2.6
85.02909	49.5
85.06569	1.5
91.03954	52.2
93.07041	6.5
95.08608	25.8
97.02882	26.0
97.06535	6.2
97.10188	15.2
99.04463	6.2
99.08117	1.6
107.08590	10.6
109.10157	14.1
111.08091	2.7
111.11733	5.8
115.03894	2.0
121.10149	20.3
123.11724	5.9
127.03910	16.1
129.40762	1.5
135.11694	19.1
137.13177	2.1
145.04984	22.6
149.13210	12.5
160.08035	1.8
163.06013	35.1
163.14888	1.6
177.16359	1.5
221.59802	1.4
247.24258	14.1
265.25284	21.9
325.11383	15.6
336.12317	10.8
339.28915	35.8
357.29965	100.0
367.87003	1.5
600.47778	1.6
847.33856	1.8
860.46997	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15903	1.8
61.02937	26.9
67.05505	12.5
69.07082	16.5
71.08634	4.1
73.02914	4.3
81.07061	23.1
83.08617	14.8
85.02909	36.4
85.10210	2.2
91.03953	33.2
93.07040	3.3
95.08615	28.4
97.02895	21.5
97.06548	4.6
97.10179	10.1
97.11114	2.2
107.08613	5.1
109.10147	15.4
111.08148	2.8
111.11720	5.3
121.10113	24.7
123.11732	4.4
127.03921	12.7
135.11694	22.3
144.60068	2.7
145.04976	15.4
149.13170	7.9
163.06000	20.8
163.14798	3.7
187.59953	2.6
191.90993	2.1
200.87845	2.2
218.26591	2.5
230.42528	2.3
247.24226	11.4
265.25201	25.5
283.26932	2.4
320.09061	12.0
325.11273	11.8
336.12143	4.1
339.28922	35.7
357.29996	100.0
357.34167	3.2
860.44678	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	0.7
61.02930	29.5
67.05512	9.8
69.03426	3.5
69.07068	13.5
71.04987	1.0
71.08632	4.3
71.56076	0.4
73.02917	9.9
73.49535	0.4
75.04464	0.7
78.50509	0.4
79.05474	4.1
81.03403	0.8
81.06611	0.9
81.07060	16.6
83.08614	16.5
85.02904	44.8
85.06532	0.8
85.10180	2.8
91.03950	50.2
93.07040	6.0
95.08603	20.1
97.02890	23.0
97.06532	4.3
97.10160	14.4
99.04455	2.9
99.08108	1.0
107.08585	6.8
107.67093	0.4
109.02847	0.9
109.10152	12.6
111.08085	3.6
111.11728	5.4
113.09649	0.4
115.03941	3.0
117.05487	0.6
119.08607	0.4
121.10132	23.9
123.11694	5.4
125.09616	1.9
125.13264	1.7
127.03908	16.3
135.11684	20.7
135.12688	0.9
137.13255	2.8
139.11134	1.9
144.68745	0.5
145.03813	1.0
145.04950	20.6
149.13254	8.7
151.14861	3.4
153.12753	0.9
163.06001	34.0
163.14795	4.5
164.44106	0.5
165.16400	2.4
167.14304	0.6
169.15813	0.5
177.16373	0.8
191.17897	0.6
205.19411	0.6
213.98505	0.5
247.24182	16.4
265.25247	22.9
283.26312	3.1
316.28336	1.0
321.09961	2.2
325.11240	13.2
336.12238	5.6
339.28915	37.0
357.29965	100.0
382.19965	0.5
501.34280	2.0
519.34619	0.6
860.45880	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	24.8
67.05496	16.3
69.07082	17.0
69.21284	2.3
71.08629	3.9
73.02919	9.4
73.22962	1.9
79.05492	3.9
81.07056	21.6
83.08617	18.0
85.02901	39.4
85.10150	2.6
91.03951	51.7
92.20886	2.6
93.07032	4.9
95.08601	26.4
95.64733	2.4
97.02889	21.2
97.06554	4.0
97.10143	16.4
99.04466	2.5
104.51068	2.1
107.08617	4.1
109.10160	17.5
111.11725	10.0
121.10151	36.3
123.11740	2.9
127.03899	18.5
131.11742	2.3
135.11703	25.6
137.13193	2.3
142.61162	2.3
144.21843	2.2
145.04962	16.2
148.00687	2.2
149.13290	11.9
151.14832	3.6
153.12762	2.7
154.42206	2.2
163.06036	30.2
165.16411	3.5
247.24255	20.0
265.25305	28.9
288.60873	2.5
304.04700	2.3
320.09195	5.3
325.11243	8.6
339.28964	46.8
357.29984	100.0
477.38092	2.4
501.34140	3.3
719.71429	2.9
723.46338	2.8
782.66388	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.6666
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66264	8.1
63.98712	7.5
70.61290	6.6
70.72720	7.3
71.08617	32.1
85.10176	9.3
87.04506	9.8
89.06034	69.6
133.08626	18.0
144.76544	8.3
200.31233	8.0
286.07413	10.9
309.43750	9.2
313.02573	9.4
342.06940	9.3
444.53885	9.1
843.63611	20.6
860.66785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	6.1
71.04984	1.6
79.05482	1.0
81.03426	13.5
82.19069	0.9
85.02899	5.7
88.77064	1.2
97.02882	7.1
99.04455	56.4
99.05094	2.2
107.34734	1.0
109.02867	4.4
127.03893	1.3
131.04887	4.2
132.05702	1.4
133.06485	4.1
145.06459	1.2
147.08058	1.8
148.05275	1.4
151.03999	1.5
151.07549	4.7
154.06215	2.0
159.04333	1.9
160.05161	1.3
161.05969	7.9
163.07498	4.9
175.07571	16.7
176.08316	97.2
177.01869	1.1
177.05476	4.4
177.09106	8.3
179.10640	1.6
181.08589	33.9
183.99742	1.1
191.07025	69.0
192.07800	29.5
193.08606	1.7
205.08617	1.5
206.09378	93.2
207.10158	100.0
215.03398	18.3
219.10269	1.8
221.07988	7.9
223.09627	1.9
233.04443	21.1
233.08121	5.8
241.08517	1.2
255.94806	1.2
271.13315	1.5
313.07150	1.6
313.10455	1.4
317.10156	4.3
319.08350	5.2
320.08969	2.5
321.09659	1.8
322.10608	1.5
334.10764	9.4
335.11127	1.4
336.12192	1.5
349.13174	1.3
383.11261	8.5
401.12396	10.7
417.59857	1.1
453.15128	3.6
467.16867	2.5
481.14877	1.7
482.90814	1.3
485.18051	2.3
499.15479	7.4
517.16998	6.7
565.20282	2.3
583.21710	44.1
601.13660	1.9
601.22772	53.2
613.68597	1.5
628.71570	1.2
843.30945	1.5
861.28308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41248	0.3
62.81477	0.3
73.33313	0.3
75.43425	0.4
79.42796	0.4
129.17307	0.4
173.60121	0.4
181.89182	0.4
185.04320	0.9
185.63916	0.4
210.68199	0.4
259.07980	0.5
275.07507	0.7
301.20239	1.6
347.09445	11.5
365.10760	1.8
375.25394	0.5
381.86322	0.5
509.14908	3.3
537.30371	30.5
699.35583	6.7
718.03516	0.4
861.40894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16830	0.9
71.73943	1.1
72.32577	1.0
72.38200	1.1
92.20933	1.9
131.59897	0.9
142.03525	1.2
148.36763	1.0
148.76752	1.1
150.16624	1.0
203.05351	1.1
209.27039	1.1
266.27655	1.2
289.05881	1.0
319.08405	1.8
334.10828	7.4
347.09518	7.3
365.10400	2.3
407.11880	1.6
509.15195	5.5
537.30365	9.8
699.35712	20.9
861.26270	4.1
861.40808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89574	0.4
132.12863	0.5
132.13893	0.5
135.11742	0.6
203.05229	0.8
212.44958	0.5
272.54956	0.5
305.08685	0.6
313.86267	0.6
319.08408	0.6
334.10712	0.8
336.12396	1.9
337.12778	0.5
347.09451	8.4
347.12888	0.5
364.08273	4.6
365.10605	3.7
378.42505	0.5
407.11615	0.5
421.12982	1.0
451.14261	0.7
456.03571	0.5
509.14764	5.7
520.92340	0.5
537.30353	7.6
583.18152	1.0
699.35565	20.0
861.40826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
74.43213	0.2
87.19166	0.2
92.21574	0.4
109.86223	0.2
113.63699	0.2
166.62535	0.2
191.29840	0.2
211.98514	0.2
276.06503	0.3
290.08075	7.2
293.82755	0.2
302.08139	1.9
303.08817	0.3
304.02744	0.4
304.06009	7.3
305.06876	0.3
309.11105	0.4
309.67557	0.2
314.74829	0.2
318.07596	9.7
319.08383	51.3
320.09042	0.9
334.10721	100.0
335.11108	2.6
336.12259	0.3
498.03226	0.3
698.98779	0.2
862.29095	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84486	0.2
69.03415	0.4
79.35577	0.2
81.03413	0.3
85.02914	1.9
99.04456	2.3
109.02871	0.5
127.03898	0.5
127.70152	0.2
137.06046	0.2
266.08112	1.2
279.08820	1.4
280.06000	0.3
294.07629	5.1
294.10602	0.4
295.08365	1.9
306.07672	1.5
307.08514	0.3
308.05548	6.7
308.08850	0.4
309.10056	0.3
310.07443	0.3
310.10690	1.6
319.08197	0.2
322.06998	0.8
323.07898	16.5
334.10663	0.9
336.12451	0.3
338.10217	100.0
339.14035	0.3
374.10138	2.4
390.13388	0.8
392.15097	2.0
418.13007	2.1
500.15540	37.8
682.25049	4.8
700.26154	1.8
844.30292	3.0
862.31451	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	20.8
63.15176	2.0
67.05486	3.2
69.03426	2.2
69.07075	4.3
71.08634	23.3
73.02904	4.4
75.15737	1.9
75.72703	2.1
75.75706	1.8
76.23283	2.3
80.86586	2.0
81.07058	14.1
83.08614	12.3
85.02912	31.5
85.10184	19.2
91.03957	31.9
95.08610	26.2
97.02885	20.8
97.10162	13.0
99.09217	2.3
109.10151	9.6
111.11726	8.4
123.11684	7.5
127.03919	5.4
137.13277	3.3
140.65370	2.0
143.89401	2.4
145.04987	18.0
149.11392	2.1
163.06010	18.6
203.90514	2.1
229.41284	2.2
250.31952	2.5
267.26855	2.6
285.27991	2.7
325.11276	5.4
336.12463	2.6
341.30511	44.3
359.31506	100.0
524.01349	2.3
590.17957	10.2
796.96149	3.0
862.45282	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00093	0.5
92.09219	0.5
120.43806	0.6
120.57745	0.6
131.28471	0.6
201.74649	0.7
203.05328	1.0
259.08087	0.6
275.07623	1.3
319.08218	0.6
321.53619	0.7
334.10825	1.4
336.12311	1.3
347.09476	9.7
365.10568	2.9
407.11774	1.1
467.13773	1.3
509.14810	3.8
527.15894	6.6
539.31885	26.4
583.18817	2.1
701.37292	4.4
863.27509	3.7
863.42352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40209	0.2
82.69891	0.2
132.60869	0.3
143.01894	0.3
185.04239	0.4
203.05368	1.5
259.08069	0.3
280.39804	0.3
305.08496	0.4
329.08551	0.3
347.09506	7.1
365.10501	3.2
407.11551	1.3
410.65094	0.3
421.13409	1.3
451.14331	1.2
467.13190	0.3
472.90121	0.3
495.62387	0.3
509.14865	5.8
519.80347	0.3
527.16107	0.5
539.31940	7.5
583.18787	0.6
701.37122	18.7
728.97858	0.4
863.42432	100.0
867.12952	0.3
867.36304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03768	0.5
84.92781	0.6
92.20972	1.0
92.30392	0.7
124.73402	0.5
203.05347	0.6
238.56676	0.7
336.12524	1.1
337.12653	0.8
347.09433	9.1
365.10764	3.6
407.11688	1.0
421.14011	0.7
439.14639	0.7
509.14691	5.1
539.31830	6.9
701.37067	18.3
863.42346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67433	0.3
73.68819	0.3
83.96880	0.3
85.62581	0.3
88.71758	0.4
96.07915	0.3
119.88741	0.3
162.59669	0.4
271.10660	0.4
284.34836	0.3
292.09714	3.0
308.13037	0.4
318.07590	0.6
318.14969	0.3
319.08273	2.7
320.09198	6.6
321.09946	10.0
334.10684	8.0
336.12286	100.0
792.62018	0.4
864.38092	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49335	0.2
66.80985	0.3
67.05421	0.3
72.40971	0.3
74.84631	0.3
82.89328	0.3
87.10783	0.3
88.84172	0.3
131.52736	0.3
195.62863	0.3
203.13737	0.3
227.57465	0.3
256.12067	0.4
292.09613	7.5
304.09647	1.3
306.07495	1.8
320.09122	7.4
321.09952	28.4
327.16208	0.3
334.10556	0.5
336.12280	100.0
371.15723	0.4
390.16983	0.8
754.91522	0.4
864.41614	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	8.5
63.22897	0.5
67.05509	32.5
69.03432	6.3
69.07067	8.4
71.05007	0.7
71.60458	0.6
72.62419	0.6
73.02907	3.6
74.15244	0.6
76.17105	0.5
79.05496	18.7
81.03400	0.9
81.07062	32.3
83.04974	1.1
83.08624	22.9
85.02911	12.6
85.06527	1.3
87.04481	0.9
91.03953	10.3
91.05485	8.0
93.07043	22.2
95.04929	0.6
95.08603	27.0
97.02879	5.5
97.06567	0.9
97.10168	63.2
99.04424	0.8
101.09716	1.3
105.07007	5.6
107.08595	33.5
109.06538	0.9
109.10152	19.7
111.08085	2.7
115.03982	0.6
117.07021	4.1
119.08559	8.4
121.06517	0.8
121.10136	18.5
123.08018	0.9
123.11707	6.4
125.09627	83.1
127.03906	3.3
131.08585	6.8
133.10135	8.1
135.08057	7.7
135.11688	13.7
137.13232	1.0
143.10706	4.6
145.04990	3.4
145.10118	7.2
147.11726	5.0
149.13255	8.7
153.09105	6.5
159.11659	5.1
161.13272	4.6
163.06015	4.0
163.14833	3.6
164.89746	0.6
171.10147	11.3
173.13235	6.0
175.14880	1.0
177.16440	1.1
187.14819	3.5
189.11217	52.9
201.16423	0.9
215.18062	0.6
222.47029	0.6
227.12775	76.2
243.21083	5.2
245.13826	100.0
261.22122	23.3
279.23135	3.7
317.24686	0.9
329.68207	0.7
335.25803	61.5
336.12308	2.9
337.40271	0.7
353.26871	2.5
469.33148	0.7
487.34174	9.9
505.35211	73.1
523.36304	42.4
538.08478	0.7
558.55206	0.7
773.70697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63486	5.7
61.02917	10.1
61.67579	6.0
67.05498	38.8
67.52237	6.0
79.05476	16.5
81.07056	42.1
83.08624	15.1
85.02916	13.0
91.05468	10.2
93.06998	23.3
95.08623	28.5
97.10163	77.4
105.07064	9.3
107.08597	46.0
109.10133	12.0
119.08581	10.9
121.10120	8.6
122.20111	8.5
125.09628	91.6
133.10112	7.8
134.76257	6.6
135.11678	10.7
139.70197	7.1
147.51135	8.0
147.61168	7.1
149.13283	13.1
159.11720	7.4
189.11241	49.5
227.12758	68.1
245.13843	100.0
261.22150	10.2
334.34909	6.7
335.25687	56.4
336.12204	12.0
346.80182	9.0
505.35236	83.1
523.36121	35.7
587.35352	8.5
864.46771	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43156	0.8
67.05497	4.4
69.07066	5.8
71.08633	18.3
81.07055	8.4
83.08639	9.2
85.10188	12.6
89.06023	2.3
95.08614	14.5
97.10161	5.8
103.07558	1.9
109.10152	7.6
109.69209	0.9
119.57707	0.9
123.11707	4.7
125.09650	1.1
127.07472	0.9
132.14740	1.0
180.59650	0.9
227.12885	1.3
239.23746	1.2
257.24698	5.1
282.27832	1.7
313.27350	100.0
382.68811	1.1
436.27988	1.1
454.29291	29.1
505.34985	1.2
824.35065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06096	13.8
62.22935	1.4
64.08900	1.7
67.05510	2.3
71.08625	8.6
75.60188	1.8
82.29735	1.8
83.08634	3.2
85.10153	4.7
89.06013	2.4
90.28006	1.9
95.08601	3.6
97.10207	1.8
98.60267	1.9
98.98458	2.4
100.73264	1.7
104.64044	1.8
109.10120	4.0
139.22939	2.3
155.01048	4.4
239.23537	2.6
282.27887	9.0
313.27368	93.2
354.02237	2.1
394.17358	2.2
436.28131	22.7
444.88620	2.1
454.29233	100.0
726.02222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14579	2.4
83.12066	2.8
86.16403	2.8
257.07071	3.2
278.07919	3.7
291.08838	5.1
306.07632	27.7
307.08295	12.0
318.07431	3.2
319.08469	14.6
320.05563	6.9
321.09659	3.8
322.06989	5.0
322.10739	11.8
334.10883	20.5
335.07825	11.4
346.38803	3.3
350.10303	22.2
468.10846	3.8
482.12024	3.6
483.13409	4.6
499.11453	3.5
514.15070	24.6
865.25873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87526	2.5
66.16035	2.4
67.05512	20.6
69.07076	10.2
70.41098	2.8
79.05495	11.8
81.07073	27.4
83.08627	5.4
85.06559	3.2
88.77432	2.7
91.05474	5.0
93.07027	14.4
95.08613	20.5
97.63700	3.0
98.98464	89.0
105.07047	14.8
107.08625	11.9
109.10164	14.6
117.06942	3.2
119.08585	16.0
121.10170	11.1
123.11681	2.7
131.08588	17.9
133.10094	12.6
135.11725	10.5
137.58551	2.6
143.08557	6.1
145.10146	25.7
147.11664	4.4
155.01053	5.0
155.08548	6.1
156.25600	2.6
157.10068	3.0
159.11684	17.5
161.13274	6.1
169.10144	3.1
171.11684	10.7
173.02113	13.5
173.13263	5.7
175.14847	3.3
181.10054	3.3
183.11732	3.6
185.13255	12.5
187.14870	10.9
189.16484	3.4
197.13251	4.5
199.14827	4.0
200.68993	2.9
201.16318	6.2
211.14909	11.5
211.39613	3.3
213.16446	4.6
241.19514	3.2
243.20973	3.0
261.22208	5.7
275.59897	2.7
319.08591	3.8
320.09384	3.9
322.10724	3.4
334.10934	10.5
335.25775	12.7
336.12296	4.9
382.52142	2.8
406.73712	3.5
449.94720	2.6
521.42786	4.1
595.47485	27.5
613.47778	4.3
669.51001	5.4
675.43951	3.9
677.61987	3.3
693.43799	5.7
749.46869	18.1
767.48505	65.7
829.43811	4.3
847.44183	13.9
849.75604	3.0
865.28113	4.8
865.46216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.264
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70260	0.3
72.58058	0.4
80.69693	0.3
106.73298	0.3
108.49180	0.3
110.26546	0.3
116.78527	0.3
137.05931	0.4
157.18024	0.3
191.06963	0.7
276.06473	0.5
290.08127	11.2
302.08090	3.1
304.06021	10.9
318.07602	10.8
319.08392	54.9
320.09189	3.3
334.10730	100.0
335.11017	0.5
336.12241	0.6
387.14240	0.5
585.40771	0.4
605.23553	0.3
683.46533	0.3
817.70294	0.4
866.26489	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.264
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70260	0.3
72.58058	0.4
80.69693	0.3
106.73298	0.3
108.49180	0.3
110.26546	0.3
116.78527	0.3
137.05931	0.4
157.18024	0.3
191.06963	0.7
276.06473	0.5
290.08127	11.2
302.08090	3.1
304.06021	10.9
318.07602	10.8
319.08392	54.9
320.09189	3.3
334.10730	100.0
335.11017	0.5
336.12241	0.6
387.14240	0.5
585.40771	0.4
605.23553	0.3
683.46533	0.3
817.70294	0.4
866.26489	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
87.91279	0.2
114.62437	0.2
116.13015	0.2
136.92677	0.2
144.31012	0.2
180.82211	0.2
232.82881	0.2
276.06555	0.3
290.08069	10.5
302.08136	3.3
304.02731	0.5
304.06046	9.7
304.09518	0.4
318.07584	12.4
319.08377	57.0
320.09229	0.5
334.10712	100.0
435.96979	0.3
766.18402	0.3
866.26410	39.3
891.40649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
97.54469	0.2
99.04393	0.2
153.90800	0.2
174.62749	0.2
174.64305	0.3
181.36017	0.2
181.43614	0.3
262.44550	0.2
276.06470	0.4
290.08093	6.8
302.08130	1.6
303.08981	0.3
304.06000	6.6
318.07614	8.2
319.08380	38.6
320.09122	3.4
321.09543	0.4
322.10379	0.2
334.10724	100.0
335.11157	0.5
336.12225	3.2
339.11264	0.3
557.02173	0.3
633.43121	0.3
865.50946	0.3
866.32263	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41759	2.1
71.08448	1.9
78.90881	2.3
88.30066	2.3
91.05475	37.0
97.02901	66.7
114.92188	2.0
115.05444	2.9
119.04935	9.2
120.29460	2.2
133.02899	2.1
144.89226	2.8
145.68178	2.3
147.04404	10.0
149.02306	2.7
149.05939	2.8
154.20378	2.3
163.03876	8.7
167.03407	17.7
167.07050	3.7
175.03886	47.3
177.05444	27.3
178.06294	10.3
179.06992	3.6
181.04962	9.6
181.08609	14.2
191.07043	4.9
193.08514	3.0
194.09343	3.9
196.11067	2.9
205.04948	100.0
205.08600	2.5
206.09363	3.8
207.06505	81.6
209.08087	9.2
215.07111	2.9
217.08455	4.1
219.06491	16.5
219.10153	4.1
223.05995	18.1
224.10411	3.3
229.08611	3.5
237.09125	3.1
243.60724	2.5
257.08057	3.2
261.08023	2.8
261.11209	3.7
275.09210	2.7
289.10681	9.5
290.08029	10.4
297.11121	4.8
303.08881	2.5
304.06052	5.0
304.65463	2.4
308.09344	2.4
313.00522	2.5
318.07568	5.1
319.08374	41.5
320.08963	22.0
321.09543	16.9
322.10715	3.8
334.10724	87.0
335.11096	11.8
336.12167	14.1
339.10690	12.1
397.12820	3.8
399.14398	24.1
411.14316	5.3
429.15277	3.7
499.14182	10.1
513.17590	3.3
531.18121	15.5
607.19745	8.7
628.69818	2.5
698.81891	2.5
723.24298	3.8
866.26086	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	6.0
63.17477	2.8
67.05515	27.0
69.03435	3.3
69.07062	13.7
71.04983	2.8
71.30154	2.8
72.88390	2.8
73.02911	2.8
79.05499	5.7
79.44999	2.7
80.40788	3.2
81.07069	34.3
83.08615	17.5
84.33875	3.7
85.02912	13.2
91.03962	12.9
93.07045	6.5
95.08581	24.9
97.02886	5.7
97.06493	4.8
97.10176	43.4
105.07047	3.3
107.08590	22.0
109.10146	17.3
121.10175	4.2
125.09622	72.6
133.10086	4.2
135.08105	4.2
143.10814	3.2
153.09239	3.5
157.66074	3.1
161.13240	4.9
170.51144	3.6
171.10147	6.9
189.11218	50.3
227.12794	99.1
245.13815	100.0
263.23618	6.3
337.27292	56.1
461.60007	3.2
489.35873	4.9
507.36755	75.7
525.37622	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31502	3.0
61.02918	4.0
61.17164	2.9
65.82745	2.9
67.05527	25.5
69.03432	3.0
69.07064	7.6
69.89687	3.1
75.56239	3.2
76.77941	3.5
79.05503	6.0
81.07072	31.3
83.08623	20.0
85.02898	5.8
86.54782	3.4
91.03956	5.5
91.05499	4.2
93.07064	7.6
95.08617	22.5
97.02872	3.4
97.10175	55.3
105.09825	4.1
107.08605	22.1
109.10152	20.5
116.00443	3.3
125.09645	63.1
127.28410	3.3
135.08076	3.3
145.04924	3.6
145.81667	3.5
147.27179	3.6
153.09081	3.9
171.10060	6.4
181.86148	3.2
189.11211	44.1
227.12770	66.7
245.13849	81.2
263.23557	5.3
305.35785	3.7
320.09186	5.0
337.27304	60.7
428.28662	3.3
507.29706	4.8
507.36853	100.0
537.48596	3.7
626.31860	3.8
770.99310	4.6
827.68958	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59207	0.9
65.03960	1.1
81.36728	0.9
85.11196	0.8
91.45599	1.0
110.03623	1.5
111.04445	4.9
119.04930	1.1
121.02850	6.6
125.05993	6.4
137.05945	2.2
147.04416	1.4
153.04298	1.7
153.05464	29.4
161.05840	1.3
181.04904	1.3
189.05196	9.4
209.08005	1.1
209.60928	1.0
221.09593	1.3
237.02286	1.0
237.09081	1.8
240.07855	5.0
249.09045	1.7
253.08574	11.0
253.12105	8.0
253.38658	1.2
266.09357	1.7
267.10339	1.3
270.08713	1.5
277.08707	1.4
281.08234	4.6
281.11713	7.9
282.08701	1.8
283.09534	4.6
284.10483	1.5
285.11099	4.0
285.14792	4.5
295.09723	2.1
297.11160	1.3
298.12018	1.8
299.12708	10.8
301.08820	1.5
309.11279	11.8
310.11972	5.9
311.12781	1.4
313.10684	20.7
313.14346	9.4
320.09024	2.5
327.12234	47.5
328.13007	2.2
331.15375	7.3
334.10852	1.4
341.13791	7.2
359.14856	100.0
361.16531	2.4
368.11282	6.9
371.14920	5.9
389.15894	32.6
457.18427	4.1
867.31873	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12876	0.2
64.44604	0.3
69.63585	0.2
77.96814	0.2
93.87875	0.2
131.76952	0.3
137.18073	0.2
143.19031	0.3
212.93852	0.3
276.06763	0.3
282.93158	0.3
290.08099	9.4
302.08109	3.1
304.06024	9.1
304.09537	0.3
318.07581	12.3
319.08389	51.2
320.09146	3.6
321.09579	0.6
322.10461	0.3
334.10727	100.0
335.07941	0.7
335.11227	1.2
335.98645	0.3
336.12256	2.1
350.10275	2.5
500.17075	0.5
597.97327	0.3
868.28253	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97546	0.2
71.18439	0.2
83.14075	0.2
88.00907	0.2
91.65726	0.2
111.28558	0.2
121.43299	0.2
164.06306	0.2
273.07852	0.3
276.06592	0.4
288.64539	0.2
289.59586	0.2
290.08081	10.3
302.08163	2.7
304.06018	9.4
318.07584	12.9
319.08383	48.6
320.08978	1.4
334.10721	100.0
335.10938	0.4
336.12106	0.8
416.23941	0.2
471.39536	0.2
505.83398	0.2
868.28143	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84877	0.1
73.51980	0.1
88.69376	0.1
89.61858	0.1
160.95752	0.1
198.66301	0.1
207.53258	0.1
209.32098	0.1
249.41324	0.1
277.07410	0.1
290.08096	1.2
292.09625	3.5
302.08041	0.2
304.06015	1.0
318.07657	1.6
319.08408	4.7
320.09164	100.0
321.09827	0.2
334.10724	8.6
335.11102	0.6
336.11948	1.1
413.16901	0.2
454.40866	0.1
539.76740	0.2
729.50720	0.1
868.28558	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85076	0.1
81.02648	0.1
119.50740	0.1
128.11392	0.1
137.99713	0.2
172.52037	0.1
290.08017	0.6
292.09650	3.9
292.80270	0.1
304.05905	0.2
318.07681	0.8
319.08301	2.2
320.09161	100.0
322.49860	0.1
334.10733	3.6
335.11234	0.2
336.12201	1.7
436.53455	0.1
868.27948	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
72.35524	0.7
74.26992	0.6
85.99817	0.6
137.06055	1.1
290.08087	10.6
302.08093	2.6
304.06058	11.0
311.59436	0.7
318.07574	10.8
319.08405	52.9
320.09155	1.6
334.10733	100.0
336.12238	0.9
410.75424	0.8
868.27985	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
72.35524	0.7
74.26992	0.6
85.99817	0.6
137.06055	1.1
290.08087	10.6
302.08093	2.6
304.06058	11.0
311.59436	0.7
318.07574	10.8
319.08405	52.9
320.09155	1.6
334.10733	100.0
336.12238	0.9
410.75424	0.8
868.27985	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.279
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04773	0.1
68.00240	0.1
83.83973	0.1
89.01097	0.1
91.13033	0.1
114.09109	0.5
147.50609	0.1
181.04976	0.1
199.69838	0.1
228.15878	0.2
262.08398	0.1
290.08057	1.8
292.09616	3.4
292.12534	0.2
302.08051	0.5
304.06088	1.5
318.07608	2.7
319.08389	10.2
320.09161	100.0
321.09412	0.5
322.25290	0.1
334.10721	18.9
335.11169	1.1
336.12225	0.8
337.13263	0.1
350.10245	0.2
868.29333	15.7
868.63873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13301	0.3
67.31538	0.3
69.99934	0.3
78.18753	0.3
96.59164	0.4
133.94141	0.4
161.67395	0.3
163.97105	0.4
248.28113	0.3
259.57205	0.3
290.08060	9.1
301.46796	0.4
302.08173	2.6
304.06055	9.7
318.07629	11.8
319.08374	47.7
320.09079	0.5
334.10712	100.0
383.57941	0.4
393.97458	0.4
448.47778	0.4
467.42758	0.4
500.16708	0.6
868.28021	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06538	0.4
71.17018	0.2
71.18054	0.2
76.46385	0.2
86.09679	0.2
90.66431	0.2
132.14143	0.2
157.64746	0.2
287.40228	0.2
290.04971	0.5
290.08075	9.8
302.05157	0.3
302.08002	2.4
303.08847	0.3
304.06039	8.1
318.03812	0.4
318.07568	12.0
319.08368	54.3
320.09198	0.5
333.09750	0.3
334.10715	100.0
335.10986	0.3
336.12161	0.4
450.84378	0.3
868.31671	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84617	0.2
63.28363	0.2
80.78578	0.2
96.08093	0.2
114.09136	0.3
163.41318	0.2
165.42662	0.2
276.06665	0.2
290.08084	8.7
302.08051	1.6
304.06024	7.9
318.07581	10.3
318.11118	0.5
319.08383	52.8
320.09030	2.0
334.10721	100.0
336.12280	1.2
661.12433	0.3
868.31653	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79600	0.2
66.99192	0.3
68.59154	0.2
70.06568	0.3
190.60071	0.2
290.08124	10.2
290.11365	0.4
302.07993	2.7
304.06033	8.2
318.07596	11.5
319.08411	52.2
320.09088	1.4
321.09885	0.4
332.61792	0.2
334.10748	100.0
336.12265	1.7
432.18958	0.3
490.68176	0.3
868.31738	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24107	0.3
77.90169	0.3
79.61359	0.3
87.18489	0.3
114.09115	0.6
170.28514	0.4
278.09671	0.3
287.90958	0.4
290.08102	8.6
302.08127	2.5
304.06027	8.4
318.07596	10.5
319.08392	54.3
320.09177	4.5
334.10727	100.0
335.11462	0.5
336.12131	1.6
397.50372	0.4
868.31635	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79600	0.2
66.99192	0.3
68.59154	0.2
70.06568	0.3
190.60071	0.2
290.08124	10.2
290.11365	0.4
302.07993	2.7
304.06033	8.2
318.07596	11.5
319.08411	52.2
320.09088	1.4
321.09885	0.4
332.61792	0.2
334.10748	100.0
336.12265	1.7
432.18958	0.3
490.68176	0.3
868.31738	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30156	0.3
70.11182	0.3
92.21577	0.3
129.82578	0.3
159.31485	0.4
276.25089	0.4
290.08102	9.5
292.06873	0.3
292.09729	2.2
302.08197	2.9
304.06046	7.6
318.07617	12.4
318.11118	0.7
319.08392	57.6
320.09174	64.2
334.10733	100.0
335.11380	0.7
336.12347	0.8
396.52319	0.4
434.45276	0.4
767.91492	0.4
868.31482	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86462	0.6
65.03941	2.9
65.74433	0.6
66.98870	0.6
81.07027	0.8
93.03401	1.4
94.77065	0.7
95.04996	1.1
110.03657	3.6
110.08765	0.6
111.04442	6.8
114.09244	0.8
121.02869	8.0
125.05997	7.8
137.05991	4.5
145.06454	0.7
149.02356	1.1
151.07489	1.0
153.05466	29.5
157.06458	0.7
159.08023	0.9
161.05893	0.8
161.09593	1.0
162.06680	0.8
163.07567	0.8
167.07007	1.6
176.07118	1.1
189.09148	1.0
207.06253	0.7
219.10133	0.8
221.09634	0.9
225.09093	1.4
229.12061	0.8
237.09113	1.2
238.09735	0.8
240.07774	4.5
249.09074	2.7
249.11353	0.8
252.07948	1.2
253.08588	16.5
253.12257	10.8
254.09314	1.5
255.10121	0.8
266.09338	3.6
267.10263	0.9
269.08005	1.2
270.08893	0.9
270.12177	1.0
271.13318	2.7
277.08551	1.3
280.07339	0.9
281.08136	4.6
281.11713	7.9
282.08786	3.2
283.09650	7.0
284.10474	1.5
285.11261	4.3
285.14914	3.9
290.08078	1.3
292.09570	3.6
295.09604	3.9
296.10422	1.0
297.11371	1.6
298.12003	3.1
299.12747	12.2
303.15747	1.4
304.06085	0.8
305.06271	0.9
309.11163	8.3
310.11969	8.2
311.12692	0.9
313.10687	22.2
313.14365	9.9
318.07675	3.5
319.08350	12.7
320.09116	43.7
321.09683	9.0
322.10559	1.2
327.12247	43.0
327.16141	1.4
328.12994	5.6
329.13635	0.9
331.15305	6.8
334.10727	19.4
335.11044	8.8
336.12152	26.4
339.12030	1.0
341.13742	7.7
343.15268	1.5
352.08328	2.3
355.15378	1.2
359.14874	100.0
361.16507	2.5
371.14893	6.5
389.15921	18.8
404.92819	0.8
431.44763	0.7
509.21555	1.5
509.28625	0.8
531.56915	0.8
632.41949	0.8
868.27222	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86462	0.6
65.03941	2.9
65.74433	0.6
66.98870	0.6
81.07027	0.8
93.03401	1.4
94.77065	0.7
95.04996	1.1
110.03657	3.6
110.08765	0.6
111.04442	6.8
114.09244	0.8
121.02869	8.0
125.05997	7.8
137.05991	4.5
145.06454	0.7
149.02356	1.1
151.07489	1.0
153.05466	29.5
157.06458	0.7
159.08023	0.9
161.05893	0.8
161.09593	1.0
162.06680	0.8
163.07567	0.8
167.07007	1.6
176.07118	1.1
189.09148	1.0
207.06253	0.7
219.10133	0.8
221.09634	0.9
225.09093	1.4
229.12061	0.8
237.09113	1.2
238.09735	0.8
240.07774	4.5
249.09074	2.7
249.11353	0.8
252.07948	1.2
253.08588	16.5
253.12257	10.8
254.09314	1.5
255.10121	0.8
266.09338	3.6
267.10263	0.9
269.08005	1.2
270.08893	0.9
270.12177	1.0
271.13318	2.7
277.08551	1.3
280.07339	0.9
281.08136	4.6
281.11713	7.9
282.08786	3.2
283.09650	7.0
284.10474	1.5
285.11261	4.3
285.14914	3.9
290.08078	1.3
292.09570	3.6
295.09604	3.9
296.10422	1.0
297.11371	1.6
298.12003	3.1
299.12747	12.2
303.15747	1.4
304.06085	0.8
305.06271	0.9
309.11163	8.3
310.11969	8.2
311.12692	0.9
313.10687	22.2
313.14365	9.9
318.07675	3.5
319.08350	12.7
320.09116	43.7
321.09683	9.0
322.10559	1.2
327.12247	43.0
327.16141	1.4
328.12994	5.6
329.13635	0.9
331.15305	6.8
334.10727	19.4
335.11044	8.8
336.12152	26.4
339.12030	1.0
341.13742	7.7
343.15268	1.5
352.08328	2.3
355.15378	1.2
359.14874	100.0
361.16507	2.5
371.14893	6.5
389.15921	18.8
404.92819	0.8
431.44763	0.7
509.21555	1.5
509.28625	0.8
531.56915	0.8
632.41949	0.8
868.27222	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.6
67.05515	11.3
69.03442	3.1
69.07064	11.6
71.08626	2.5
72.52398	1.1
79.05493	6.7
79.86271	1.2
81.07063	15.1
83.08627	21.0
85.02923	9.4
85.10167	1.7
91.03948	5.0
93.07041	7.9
95.08588	14.3
97.02882	6.4
97.10170	52.4
107.08595	18.4
109.10161	11.0
111.11774	1.4
121.10152	8.5
123.11768	1.7
125.09635	64.1
135.11700	3.2
143.10710	3.3
145.04944	1.6
149.13202	1.6
153.09085	6.2
163.05919	1.9
171.10176	8.1
189.11226	54.3
227.12775	100.0
245.13823	86.0
310.87173	1.2
320.09390	2.9
339.28894	56.4
509.38455	63.9
527.39447	15.4
594.21777	1.4
702.39215	1.7
744.79132	1.7
868.52234	1.7
902.49847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.0
67.05502	13.6
69.03419	3.4
69.07077	17.2
71.08645	2.7
75.83743	2.1
79.05507	12.4
81.07054	18.9
83.08612	28.2
85.02913	5.3
91.03947	2.3
93.07041	4.6
95.08604	14.3
97.10165	52.5
104.07201	2.2
107.08598	14.7
109.10157	8.9
114.37913	2.2
121.10121	4.4
121.15203	2.2
125.09624	78.7
135.08018	3.9
135.11732	4.7
144.10432	2.3
153.09082	4.3
171.10158	10.5
189.11201	52.0
193.60034	3.0
227.10564	3.4
227.12761	83.2
245.13809	69.4
252.85944	2.6
304.68018	2.3
313.67282	2.4
339.28903	74.3
464.30344	2.4
483.37146	2.4
509.38403	100.0
527.39258	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.6
68.94666	1.7
69.03428	4.0
71.80872	1.8
73.02924	2.0
73.43655	1.7
74.68989	1.6
81.03421	13.0
85.02925	14.9
91.05489	2.7
95.05004	2.7
97.02888	11.2
99.04453	100.0
105.20464	2.1
107.04941	3.6
119.04955	3.6
121.06512	2.1
123.04421	2.2
127.03926	7.5
129.07826	2.0
135.04404	3.8
137.05922	2.2
145.02876	3.5
145.04958	2.2
149.05974	3.4
151.07500	3.0
163.03882	17.1
167.07050	27.1
175.03915	18.5
177.05458	12.3
179.07022	9.3
181.05003	3.8
181.08643	2.4
191.07062	14.1
195.06573	3.2
201.09125	3.1
205.04958	22.9
207.06516	39.0
209.08057	3.6
219.06598	4.0
221.08099	2.4
223.06000	43.4
227.07242	2.1
229.08612	3.6
231.10095	3.6
233.08044	4.6
233.11775	2.6
243.08698	2.5
259.09521	2.1
261.11334	3.2
283.11743	10.3
289.10837	2.4
307.11810	8.3
319.08276	16.5
320.08936	12.9
321.09601	3.7
322.32962	2.1
334.10699	30.4
335.11050	22.1
459.16318	4.0
477.17770	3.8
543.21985	9.7
604.44440	2.1
869.34338	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09008	1.7
67.05510	48.1
69.07077	26.9
71.08629	2.7
79.05503	14.2
79.37693	1.9
81.07067	67.6
83.08629	23.0
91.05476	15.0
93.07050	18.0
95.04907	2.6
95.08616	74.1
97.06541	3.9
97.10177	11.2
98.98472	92.5
103.55266	1.8
105.07037	4.9
107.08620	16.4
109.10159	36.0
109.35722	1.9
111.08087	3.3
119.08583	9.3
121.10158	15.5
123.08041	2.2
123.11711	13.4
125.09602	2.7
133.10133	12.0
135.11678	7.2
137.13252	9.4
147.11714	10.3
149.13274	7.5
155.01044	100.0
161.13231	10.5
163.14851	8.9
173.02142	11.6
175.14906	2.5
189.16418	2.9
207.17622	2.3
245.22676	26.3
263.23715	85.9
273.14444	2.3
302.07962	2.1
337.27350	80.1
417.24005	40.2
445.50928	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58646	0.8
62.28186	0.9
65.20757	1.1
67.05508	53.1
69.07066	26.7
71.04980	1.3
71.08641	4.3
71.15843	0.9
75.04455	1.8
79.05499	15.2
81.07061	80.6
81.68198	1.1
83.04974	1.2
83.08622	20.3
85.06515	1.1
87.35879	0.9
91.05485	10.7
93.07040	18.4
95.04950	2.2
95.08606	74.9
97.06525	6.5
97.10178	11.8
98.98464	100.0
99.08092	1.3
105.07026	8.9
107.08598	17.7
109.06465	1.2
109.10156	31.2
111.08073	4.3
111.11739	1.3
116.99514	1.8
119.08561	10.7
121.10130	22.7
123.08089	1.7
123.11702	15.8
125.09573	1.3
133.10141	13.2
135.11659	10.9
137.13260	6.3
147.11714	7.7
149.13281	7.7
151.14851	5.5
155.01031	98.3
161.13304	7.9
163.14844	4.8
165.16318	3.6
173.02094	11.0
175.14815	6.7
181.15851	1.2
189.16370	2.0
208.91130	1.1
245.22623	26.7
263.23676	75.1
289.93100	1.0
308.44833	0.9
318.22891	1.0
337.27362	81.6
417.23978	52.9
557.36926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39419	1.2
67.05178	2.9
67.05511	53.4
67.30598	1.4
69.07070	23.2
79.05490	14.9
81.07063	65.2
83.08630	20.8
91.05473	8.9
91.40470	1.4
93.07045	18.3
94.09944	1.7
95.04952	2.5
95.08608	69.8
97.06511	3.2
97.10161	13.5
98.98466	100.0
99.08060	2.0
105.07028	10.7
107.08620	11.5
109.10162	32.1
111.08067	3.1
112.34909	1.7
113.09613	1.8
116.62185	1.6
119.08586	8.8
121.10131	15.5
123.11704	14.0
125.09692	1.9
128.05832	1.4
133.10114	11.7
135.11702	9.4
137.09537	1.6
137.13248	7.1
144.20996	1.6
147.11687	10.9
149.13255	8.1
151.14775	2.8
155.01031	93.0
161.13243	7.7
163.14780	6.5
165.16425	2.8
173.02061	11.9
175.14845	6.8
179.17932	1.6
179.86067	1.9
189.16487	2.4
245.22716	29.6
255.81337	1.6
263.23688	87.6
293.51022	1.9
294.56503	1.7
331.17334	1.8
337.27341	72.6
337.31409	2.7
417.23993	50.1
863.80701	2.0
884.96149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57904	0.4
74.56770	0.4
83.34818	0.3
87.08998	0.4
89.61440	0.5
99.04379	0.5
109.46465	0.4
115.02026	0.4
128.78511	0.5
193.38432	0.5
276.06641	0.5
290.08099	9.9
292.09610	0.7
302.08112	2.9
304.06018	8.9
306.07626	2.2
318.07629	12.1
318.55457	0.5
319.08377	55.9
320.09113	10.8
321.09683	3.6
334.10730	100.0
335.07739	5.0
335.11002	3.7
336.12216	12.2
350.10214	15.4
350.13663	0.6
582.27008	0.5
596.90350	0.6
870.26196	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57904	0.4
74.56770	0.4
83.34818	0.3
87.08998	0.4
89.61440	0.5
99.04379	0.5
109.46465	0.4
115.02026	0.4
128.78511	0.5
193.38432	0.5
276.06641	0.5
290.08099	9.9
292.09610	0.7
302.08112	2.9
304.06018	8.9
306.07626	2.2
318.07629	12.1
318.55457	0.5
319.08377	55.9
320.09113	10.8
321.09683	3.6
334.10730	100.0
335.07739	5.0
335.11002	3.7
336.12216	12.2
350.10214	15.4
350.13663	0.6
582.27008	0.5
596.90350	0.6
870.26196	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
79.16663	0.3
81.61861	0.2
85.76955	0.3
92.85265	0.3
97.76142	0.3
135.21022	0.3
157.28566	0.3
159.73456	0.3
290.08127	9.6
292.09668	3.6
302.07986	2.3
304.06064	8.6
304.09460	0.7
306.07654	2.8
318.07574	11.8
318.11130	0.6
319.08371	52.1
320.05554	1.7
320.09109	8.7
321.09930	7.5
334.10718	100.0
335.07828	8.4
335.11301	1.9
336.12280	32.4
350.10205	23.6
350.13736	1.6
564.66559	0.3
867.39996	0.3
870.26337	45.9
877.52124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57904	0.4
74.56770	0.4
83.34818	0.3
87.08998	0.4
89.61440	0.5
99.04379	0.5
109.46465	0.4
115.02026	0.4
128.78511	0.5
193.38432	0.5
276.06641	0.5
290.08099	9.9
292.09610	0.7
302.08112	2.9
304.06018	8.9
306.07626	2.2
318.07629	12.1
318.55457	0.5
319.08377	55.9
320.09113	10.8
321.09683	3.6
334.10730	100.0
335.07739	5.0
335.11002	3.7
336.12216	12.2
350.10214	15.4
350.13663	0.6
582.27008	0.5
596.90350	0.6
870.26196	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38974	0.2
69.09180	0.2
80.64548	0.2
84.21507	0.2
92.21543	0.3
107.04951	0.3
122.28033	0.2
131.04832	0.4
167.07013	2.8
191.07037	1.8
193.65056	0.3
199.07500	1.5
202.06354	0.3
233.09586	0.5
261.09100	0.6
276.06607	0.3
289.08652	2.5
290.08038	8.5
292.09698	2.3
293.11606	0.5
302.08115	3.1
304.06018	8.9
318.07608	12.7
319.08383	52.6
320.09161	66.0
321.11050	1.7
322.10641	0.5
333.10052	0.3
334.10718	100.0
335.07797	1.1
335.11395	0.5
336.12244	2.6
350.10217	3.1
350.13870	0.5
353.13806	4.4
413.15738	1.2
449.45700	0.3
449.52109	0.2
479.66342	0.2
511.10910	0.3
870.26825	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88701	0.2
78.00801	0.3
85.95677	0.2
87.60899	0.2
125.02081	0.3
128.81456	0.3
141.25429	0.3
149.63754	0.3
259.66272	0.3
276.06607	0.3
290.08118	9.8
292.09467	0.3
302.08127	2.7
304.06024	9.0
306.07657	1.0
311.41660	0.3
318.07562	12.9
318.10535	0.5
319.08383	52.7
320.05496	0.5
320.09070	7.0
321.10153	0.7
322.10815	0.3
334.10724	100.0
335.07825	3.9
335.11234	1.4
336.12219	6.3
350.10187	9.6
350.14120	0.6
457.95569	0.3
478.01846	0.3
484.82343	0.3
574.12286	0.3
590.72626	0.3
666.09363	0.3
793.27032	0.3
870.26135	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82677	0.2
77.43101	0.2
85.81880	0.3
92.21520	0.5
99.51273	0.3
127.12640	0.3
133.65302	0.3
209.02434	0.3
220.91768	0.3
276.06720	0.5
289.07291	0.3
290.08087	11.9
302.08066	3.1
304.06039	9.8
318.07599	12.5
319.08383	57.1
320.09186	8.3
321.09729	0.4
322.10739	1.1
334.10727	100.0
335.11148	0.6
336.12265	4.3
350.10248	0.6
368.09232	0.4
857.56250	0.4
858.56342	0.3
870.26025	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
74.85850	0.3
76.32326	0.3
116.09936	0.4
127.38943	0.4
265.54428	0.4
290.08105	9.6
292.09659	0.5
302.08026	2.7
304.06021	9.5
308.09384	0.4
318.07602	13.9
318.11136	0.7
319.08392	56.0
320.09164	5.7
321.09601	3.9
322.10098	0.8
334.10730	100.0
335.11310	0.7
336.12265	6.2
608.00922	0.5
833.52179	0.4
870.29779	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07683	0.2
94.59483	0.2
117.20825	0.2
118.23428	0.2
123.55345	0.2
133.59904	0.2
176.41196	0.2
255.22020	0.2
262.27371	0.2
290.08112	4.5
292.09622	3.7
302.08044	1.4
304.06030	4.4
306.07581	0.4
318.07629	5.3
319.08386	24.1
320.09164	100.0
321.09631	1.5
322.10666	0.3
334.10718	45.8
335.07776	2.2
335.11462	1.1
336.12326	4.5
350.10175	5.5
350.13974	0.7
435.68936	0.3
437.75537	0.2
535.83856	0.2
644.15118	0.2
870.29089	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86215	0.2
78.10506	0.2
78.16154	0.2
86.72810	0.2
92.21547	0.3
170.58894	0.2
216.28000	0.2
223.67178	0.2
262.08276	0.2
276.06210	0.4
280.04489	0.2
290.04987	0.5
290.08109	10.4
302.08179	3.0
303.08508	0.2
304.06018	9.1
318.07614	13.0
319.08392	58.1
320.09125	3.0
321.09576	1.2
322.10187	0.2
334.10730	100.0
335.11295	0.3
336.12354	1.7
605.03632	0.3
650.83881	0.2
669.30127	0.3
701.81927	0.2
870.29608	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81470	0.2
68.82752	0.2
88.90618	0.2
92.21550	0.3
102.02402	0.2
130.81891	0.2
207.06551	0.3
256.76639	0.2
276.06509	0.3
290.08084	10.4
294.11102	0.4
302.08112	2.9
304.06036	8.6
304.09464	0.4
318.07617	13.4
319.08383	55.3
320.08987	2.6
321.09464	0.9
334.10724	100.0
335.11157	1.0
336.12164	2.0
350.10416	0.2
870.29565	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74702	0.2
115.50066	0.2
167.06931	0.3
193.25789	0.3
207.06450	0.3
233.93417	0.2
276.06476	0.9
290.08072	10.5
294.11166	0.3
302.08044	3.0
303.08820	0.3
304.05997	9.1
318.03806	0.4
318.07562	13.3
319.08371	56.7
320.09033	2.6
321.09509	0.4
322.10480	0.4
334.10703	100.0
335.11032	0.9
336.12204	2.2
870.29559	40.1
882.76953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00507	0.1
77.15700	0.1
89.41672	0.1
151.53508	0.2
207.06546	0.2
240.89326	0.2
242.45674	0.2
276.06485	0.3
287.55865	0.2
289.07208	0.2
290.08130	9.4
290.11380	0.3
292.09546	0.2
294.11325	0.6
294.93332	0.2
302.08124	3.0
303.08786	0.2
304.06042	9.7
304.09506	0.4
305.06470	0.2
308.09109	0.6
318.03833	0.3
318.07599	13.4
319.08395	52.3
320.09174	5.5
321.09561	3.5
322.10022	2.2
326.00510	0.2
334.10733	100.0
335.11050	0.7
336.12213	3.5
350.10104	0.2
386.10339	0.3
474.08661	0.2
533.84387	0.2
870.29596	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27887	0.4
151.84822	0.4
239.07346	0.5
251.32457	0.4
290.08142	9.2
292.09589	2.5
302.08133	2.3
304.06033	8.2
309.49316	0.3
317.21695	0.4
318.07584	11.3
319.08395	53.4
320.09164	56.8
321.10300	0.5
334.10727	100.0
335.11252	0.5
336.12198	6.6
350.10062	0.9
352.15555	0.9
870.29449	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
78.65729	0.3
82.79954	0.3
91.27482	0.3
133.86246	0.3
243.10564	0.3
246.14032	0.3
278.08017	0.4
290.08047	8.1
302.08014	1.8
304.05994	7.6
305.06509	0.4
306.07574	6.6
318.07571	11.7
319.08359	48.6
320.05435	3.6
320.09103	6.1
334.07358	3.9
334.10684	100.0
335.07828	21.3
335.11273	1.6
336.12039	0.7
350.10175	51.7
350.13553	2.0
434.14832	0.3
436.89639	0.4
454.12875	0.3
482.12561	0.3
520.01941	0.4
776.53027	0.4
840.29840	0.4
870.29578	77.2
898.90942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74702	0.2
115.50066	0.2
167.06931	0.3
193.25789	0.3
207.06450	0.3
233.93417	0.2
276.06476	0.9
290.08072	10.5
294.11166	0.3
302.08044	3.0
303.08820	0.3
304.05997	9.1
318.03806	0.4
318.07562	13.3
319.08371	56.7
320.09033	2.6
321.09509	0.4
322.10480	0.4
334.10703	100.0
335.11032	0.9
336.12204	2.2
870.29559	40.1
882.76953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56862	0.2
60.58791	0.2
77.92158	0.2
96.30415	0.2
207.06386	0.3
277.07077	0.3
290.08063	3.8
292.09729	3.1
302.08026	1.1
304.06027	3.6
306.07556	0.3
307.08456	0.3
318.07626	5.8
319.08368	18.8
320.09143	100.0
321.09479	1.2
322.10709	1.9
334.10706	36.3
335.07697	1.1
335.11166	2.2
336.12219	7.1
350.10251	4.6
379.64154	0.2
496.71591	0.2
870.28973	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.311
Annotation	Unknow
Peak:m/z	Relative Intensity
72.58123	0.8
80.65178	0.7
107.33599	0.9
127.03966	1.0
172.78502	0.9
290.08038	10.1
302.08151	1.7
304.05923	7.4
318.07529	15.3
319.08395	52.0
320.09048	3.2
334.10730	100.0
336.12170	1.2
531.32532	0.9
870.30811	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46181	0.5
70.33112	0.4
75.24495	0.4
214.16684	0.5
241.00647	0.5
290.08081	9.7
302.08038	3.5
304.06073	9.8
318.07635	14.4
319.08383	59.3
320.09021	2.2
325.62167	0.6
334.10730	100.0
336.12488	0.6
501.38876	0.6
587.79645	0.6
870.31195	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03342	0.5
81.25968	0.5
91.87152	0.5
105.70941	0.5
137.05983	0.6
148.07327	0.6
193.64616	0.5
202.74879	0.6
208.94673	0.6
222.24084	0.5
290.08096	11.7
302.08176	2.3
304.06012	12.1
318.07611	14.0
319.08383	61.6
320.09055	1.2
322.10413	0.6
334.10718	100.0
336.12335	1.4
416.18478	0.6
870.30927	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06542	0.3
73.49107	0.3
83.63672	0.3
83.92139	0.3
83.95115	0.2
84.87426	0.2
86.80505	0.2
117.50204	0.3
148.49030	0.3
158.16507	0.3
276.06558	0.4
290.08130	10.9
302.08026	2.7
304.06021	10.9
318.03857	0.4
318.07596	14.5
319.08392	58.3
320.09265	1.2
321.09698	0.3
334.10739	100.0
335.11368	0.3
336.12274	1.2
346.10834	0.4
390.13290	0.3
870.31213	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66539	0.2
67.05505	0.2
80.48410	0.2
81.07070	0.5
119.26819	0.2
132.72662	0.2
149.85954	0.2
218.85486	0.2
239.71512	0.3
278.08176	0.3
292.09665	9.1
292.12912	0.4
304.09683	1.3
306.07623	3.1
320.05435	0.5
320.09164	9.9
321.09967	25.3
322.67447	0.2
334.10757	0.3
335.11111	0.3
336.12289	100.0
337.12964	0.3
365.53027	0.3
714.98920	0.3
870.46899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.7
67.05502	10.8
71.08630	20.6
72.18032	2.1
78.27525	2.3
79.05500	2.4
81.07057	11.9
83.08614	12.6
85.02926	2.9
85.10183	12.1
91.03934	3.5
91.05447	2.3
93.07037	3.8
95.08601	12.4
97.02905	2.7
97.10163	46.8
107.08591	9.1
109.10146	9.4
116.07381	2.5
116.59335	2.6
118.21054	2.3
123.11684	4.0
125.09625	60.8
135.08205	2.2
153.09042	3.5
171.10121	10.7
176.11447	2.6
189.11209	56.8
200.37564	2.6
227.12744	100.0
245.13803	83.5
285.27869	2.2
334.10709	3.2
341.30490	55.2
382.34418	2.8
399.72403	2.4
511.39993	63.6
529.40826	8.9
565.10895	2.6
681.59064	2.9
870.42645	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25690	1.0
129.26242	0.9
137.06041	1.2
145.62596	1.0
148.05190	6.1
148.80028	1.0
155.58191	1.1
161.05983	1.0
163.07524	1.1
166.06258	10.0
167.07048	2.1
175.07605	2.0
176.08302	4.6
181.08597	100.0
190.06216	4.7
193.08556	1.4
199.07619	1.4
205.08629	11.8
207.06458	1.8
207.10222	6.4
211.07555	1.8
221.08083	3.9
221.99007	1.0
225.09128	5.7
231.04422	1.1
237.09470	1.0
237.81302	1.0
295.09705	1.1
302.08936	1.1
303.10016	1.5
309.11227	1.5
310.11847	1.4
318.07709	1.9
319.08423	10.3
320.08795	10.8
321.09323	3.4
322.10550	1.2
329.11545	1.2
333.11084	2.1
334.10739	21.7
335.10916	12.8
336.12222	21.7
337.12491	13.3
341.13892	4.5
347.12808	2.0
359.12735	2.4
361.13699	1.4
362.15167	4.9
364.08572	1.6
367.15460	4.4
375.12125	1.3
379.15244	1.2
393.17035	14.8
423.17960	12.8
465.18677	4.3
489.16336	1.3
539.20776	1.4
545.22040	1.3
551.20453	1.6
565.22107	4.7
583.22876	1.4
599.22070	1.6
643.24951	4.2
719.27570	1.6
721.29749	6.1
733.30139	13.9
751.31750	7.8
793.31885	7.4
811.33356	7.3
871.30927	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72383	1.2
95.08605	1.2
132.13304	1.1
192.16920	1.5
237.19342	1.6
246.85103	1.7
320.09283	1.5
382.62604	1.3
420.23087	4.9
421.23856	5.3
433.23834	2.2
451.21167	2.5
465.22906	34.0
466.23996	2.2
470.23956	1.4
475.25543	1.8
487.21255	2.5
492.25629	2.5
493.26132	3.3
501.22955	11.4
502.23907	1.9
503.24426	23.0
521.25525	1.9
523.23547	2.1
537.25299	8.7
539.27130	5.4
559.31427	1.8
577.31134	2.0
607.27698	2.6
621.30566	3.1
622.31555	2.7
639.28009	1.6
709.32410	4.7
739.36609	2.4
769.31860	1.5
784.37054	2.0
853.37592	9.7
871.37482	100.0
871.52588	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67197	0.4
120.24940	0.4
123.31584	0.4
130.87277	0.4
284.02014	0.5
290.08112	8.6
302.08090	3.6
304.06064	9.8
307.08505	0.5
308.09155	2.0
308.12827	6.2
318.07599	13.9
318.11115	0.7
319.08401	58.0
320.09082	7.1
321.09512	1.8
322.10718	2.9
323.11560	0.4
334.10736	100.0
335.11063	3.8
336.12283	12.3
337.13025	12.5
338.14111	0.6
352.15439	48.3
751.49261	0.5
872.27496	49.0
895.94537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
130.19730	0.6
143.51318	0.6
167.07306	0.6
179.89415	0.6
217.28728	0.6
250.47009	0.5
258.19205	0.7
290.08109	11.0
291.08612	0.7
292.09711	0.7
302.08255	2.2
304.06018	12.4
318.07562	16.3
319.02789	0.8
319.05121	0.8
319.08377	58.2
320.09122	21.0
321.09589	9.0
322.10312	3.7
334.10724	100.0
335.11179	5.5
336.12195	14.3
427.08673	0.6
442.87921	0.6
697.24792	0.6
771.13367	0.7
872.27716	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67197	0.4
120.24940	0.4
123.31584	0.4
130.87277	0.4
284.02014	0.5
290.08112	8.6
302.08090	3.6
304.06064	9.8
307.08505	0.5
308.09155	2.0
308.12827	6.2
318.07599	13.9
318.11115	0.7
319.08401	58.0
320.09082	7.1
321.09512	1.8
322.10718	2.9
323.11560	0.4
334.10736	100.0
335.11063	3.8
336.12283	12.3
337.13025	12.5
338.14111	0.6
352.15439	48.3
751.49261	0.5
872.27496	49.0
895.94537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
130.19730	0.6
143.51318	0.6
167.07306	0.6
179.89415	0.6
217.28728	0.6
250.47009	0.5
258.19205	0.7
290.08109	11.0
291.08612	0.7
292.09711	0.7
302.08255	2.2
304.06018	12.4
318.07562	16.3
319.02789	0.8
319.05121	0.8
319.08377	58.2
320.09122	21.0
321.09589	9.0
322.10312	3.7
334.10724	100.0
335.11179	5.5
336.12195	14.3
427.08673	0.6
442.87921	0.6
697.24792	0.6
771.13367	0.7
872.27716	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23674	0.2
66.62434	0.3
74.09893	0.3
79.08974	0.3
84.37500	0.3
169.05164	0.3
176.06572	0.3
197.18158	0.3
197.34543	0.3
223.13188	0.3
276.06293	0.5
290.08075	8.1
302.08215	2.4
304.06003	7.9
318.03870	0.4
318.07584	11.5
319.08386	50.9
320.09198	1.6
334.10718	100.0
334.41614	0.3
703.16736	0.3
872.31128	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23020	0.2
66.70134	0.3
68.22226	0.2
69.66017	0.2
69.93662	0.3
70.95835	0.2
74.29591	0.3
80.95415	0.2
91.74990	0.2
96.57512	0.2
128.66350	0.3
131.72633	0.2
136.95821	0.3
232.88033	0.3
258.65723	0.3
288.53275	0.3
290.08017	1.0
292.09732	3.8
293.10284	0.3
308.09433	0.6
308.12738	5.8
318.07608	0.5
319.08298	2.0
320.09161	100.0
321.09769	2.2
322.10574	4.4
323.11432	1.3
334.10800	4.1
335.10962	0.4
336.08994	0.3
336.12253	12.9
337.13074	14.4
338.13773	2.3
352.15424	43.4
372.69989	0.3
502.68964	0.3
779.11987	0.3
872.32782	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23020	0.2
66.70134	0.3
68.22226	0.2
69.66017	0.2
69.93662	0.3
70.95835	0.2
74.29591	0.3
80.95415	0.2
91.74990	0.2
96.57512	0.2
128.66350	0.3
131.72633	0.2
136.95821	0.3
232.88033	0.3
258.65723	0.3
288.53275	0.3
290.08017	1.0
292.09732	3.8
293.10284	0.3
308.09433	0.6
308.12738	5.8
318.07608	0.5
319.08298	2.0
320.09161	100.0
321.09769	2.2
322.10574	4.4
323.11432	1.3
334.10800	4.1
335.10962	0.4
336.08994	0.3
336.12253	12.9
337.13074	14.4
338.13773	2.3
352.15424	43.4
372.69989	0.3
502.68964	0.3
779.11987	0.3
872.32782	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83685	0.2
71.63039	0.2
80.35751	0.2
82.45061	0.2
184.91856	0.2
276.06317	0.3
290.04968	0.4
290.08090	9.3
302.08173	2.7
304.06003	8.7
308.12738	1.5
318.03906	0.3
318.07599	11.4
319.08380	55.2
320.09171	1.8
322.10779	0.5
334.10718	100.0
336.12167	2.1
337.13028	3.0
352.15402	8.9
466.12756	0.2
503.47955	0.2
512.28278	0.2
530.14142	0.3
814.76636	0.2
872.31281	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
112.93614	0.2
239.13649	0.2
240.42105	0.3
276.06207	0.3
288.08038	0.3
290.08054	9.6
292.09616	1.4
302.08109	2.5
304.06015	8.1
305.06863	0.3
308.12802	1.4
318.07574	10.9
319.08374	51.7
320.09137	27.8
320.12085	0.6
321.09818	2.4
322.10498	1.3
334.10706	100.0
335.07632	0.4
335.11157	2.1
336.08224	0.5
336.12201	8.3
337.13013	2.5
338.13849	0.8
350.10132	1.0
351.10477	1.2
352.11249	0.7
352.15390	9.7
494.15332	0.3
634.49908	0.4
831.41815	0.3
872.31158	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.63960	0.2
250.34125	0.2
289.07532	0.3
290.08063	8.7
302.08136	2.2
303.08694	0.2
304.06036	7.0
318.07535	11.1
319.08368	51.6
320.08957	0.2
334.10699	100.0
496.16678	0.3
872.31140	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75650	0.3
73.77607	0.3
89.05993	0.3
90.80196	0.3
103.30685	0.3
113.12768	0.3
134.22771	0.3
152.58340	0.3
174.70589	0.3
182.28300	0.3
290.08063	9.4
302.07980	2.9
304.06055	8.0
308.12762	2.1
318.07587	10.3
319.08371	56.4
320.09149	1.7
322.10788	1.9
323.11417	0.4
334.10721	100.0
335.11230	0.4
336.12292	5.8
337.13095	6.1
338.13544	0.4
352.15417	19.3
463.62244	0.3
545.25439	0.3
872.31238	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.63960	0.2
250.34125	0.2
289.07532	0.3
290.08063	8.7
302.08136	2.2
303.08694	0.2
304.06036	7.0
318.07535	11.1
319.08368	51.6
320.08957	0.2
334.10699	100.0
496.16678	0.3
872.31140	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82211	0.1
73.97021	0.1
98.50905	0.1
200.33609	0.1
276.06506	0.4
289.07571	0.2
290.08090	9.3
302.08115	2.6
304.06006	8.1
308.12820	0.5
316.06476	0.2
318.07599	12.3
319.08374	51.7
320.09119	1.4
321.09213	0.1
322.10590	0.2
334.10712	100.0
335.11206	0.1
336.12399	0.9
337.13120	1.5
352.11050	0.3
352.15396	5.8
387.03674	0.1
872.31165	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42103	0.1
73.95580	0.1
75.88928	0.1
84.12818	0.1
85.03686	0.1
86.88559	0.1
92.08011	0.2
99.16723	0.1
124.87897	0.1
169.26363	0.1
170.82899	0.1
179.17459	0.1
278.07950	0.2
290.08005	0.2
292.09543	2.9
294.11179	0.2
308.09335	0.5
308.12759	12.2
318.07645	0.3
319.08316	1.3
320.09164	63.2
320.12457	2.5
321.09836	2.3
321.13538	0.2
322.10730	6.1
323.11304	0.2
334.10751	1.9
335.11102	0.6
336.12271	24.1
337.13052	31.7
352.15405	100.0
357.36859	0.2
697.79852	0.2
808.59595	0.1
872.33929	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
87.39915	0.1
131.32254	0.1
133.93427	0.2
136.29066	0.1
164.93225	0.1
290.07990	0.7
291.08063	0.2
291.12756	0.2
292.09729	2.4
304.06006	0.3
307.12030	0.3
308.09290	0.8
308.12762	11.3
318.07593	0.9
319.08411	2.0
320.09186	54.1
320.12543	2.6
321.09894	1.8
322.10736	6.0
323.11499	0.3
334.10742	4.7
335.10934	1.2
336.12289	21.7
337.13065	32.0
347.62634	0.2
352.15430	100.0
460.64151	0.2
672.51422	0.2
675.57233	0.2
872.34222	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.349
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92309	0.2
69.45522	0.2
183.79337	0.2
290.08038	0.3
292.09579	1.6
294.11258	0.4
304.05917	0.2
306.07425	0.3
308.12778	10.6
318.07523	0.4
319.08334	2.2
320.09180	28.2
320.12717	2.4
321.09821	2.5
322.10669	6.1
323.11081	0.2
332.79617	0.2
334.10663	4.1
335.07611	0.3
335.11081	2.1
336.12262	19.4
337.13049	29.6
338.13306	1.0
350.10229	0.9
351.10507	0.7
352.15414	100.0
407.71335	0.2
531.14502	0.2
572.98175	0.2
660.18054	0.2
872.34460	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
85.78849	0.3
94.40524	0.3
99.04417	0.5
99.54573	0.3
290.08090	6.4
294.11517	0.3
302.08060	1.8
303.09012	0.3
304.06027	6.8
304.09222	0.4
308.09280	0.3
318.07593	8.4
319.08374	41.7
320.09030	4.8
321.09790	1.8
322.10309	1.3
334.10730	100.0
335.11081	2.4
336.12253	4.9
337.12534	2.8
338.13000	1.3
469.25766	0.3
471.17072	0.3
872.34900	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
75.91299	0.3
82.89435	0.3
91.73203	0.3
103.30091	0.3
127.70691	0.3
136.31628	0.3
137.58247	0.3
155.02254	0.3
160.15677	0.3
168.89110	0.3
172.49178	0.3
265.26788	0.3
290.08115	0.4
304.05789	0.4
308.09503	0.7
308.12784	11.2
318.07550	1.7
319.08389	2.1
320.09064	5.6
320.12790	2.2
321.09583	3.1
322.10696	6.4
334.06842	0.4
334.10706	6.0
335.11060	1.4
336.12262	20.6
337.13058	29.9
338.13867	0.6
352.15424	100.0
540.21893	0.3
689.74725	0.3
872.34558	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
79.83356	0.5
80.46323	0.5
89.77114	0.5
220.90759	0.6
225.29967	0.6
290.08121	4.5
291.08426	1.1
292.09354	2.4
302.07941	0.6
304.05902	2.9
305.06570	1.1
307.08264	0.6
308.12808	11.0
318.07562	4.5
319.08362	23.7
320.09015	23.3
320.12674	1.8
321.09241	7.8
322.10706	9.0
323.11185	1.0
334.10724	34.4
335.07275	0.6
335.11096	18.0
336.12173	33.6
337.13025	29.8
350.10257	2.1
351.10419	0.8
352.15424	100.0
353.78763	0.6
408.12051	0.7
460.43524	0.6
540.81091	0.7
581.00958	0.6
607.86987	0.6
661.31262	0.6
749.12268	0.7
872.26093	27.2
883.94250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	20.4
67.05509	7.8
69.03429	1.4
69.07064	3.4
71.05001	0.7
73.02932	7.3
79.05495	10.4
81.03429	1.2
81.07058	11.7
83.08617	2.5
83.67544	0.7
85.02905	33.7
85.06562	0.7
87.37338	0.6
90.81036	0.6
91.03951	35.9
91.05475	10.1
93.07047	15.7
95.04980	0.9
95.08599	9.1
97.02893	18.8
97.06509	1.1
97.10184	0.8
99.04463	1.1
99.08082	0.7
103.03925	1.0
105.07039	12.8
107.08591	12.3
109.02880	0.7
109.10168	5.2
111.08090	0.6
115.03953	1.5
117.07029	4.8
119.08582	16.6
121.06498	0.7
121.10137	11.6
125.09698	0.7
127.03911	11.9
129.07001	2.8
131.08569	6.4
133.10130	20.6
135.11684	11.1
137.09602	1.1
143.08540	3.7
145.04964	15.8
145.10136	8.3
147.11679	18.1
149.09654	0.8
149.13248	7.9
157.10132	3.1
159.11678	9.7
161.13249	14.4
163.04646	0.9
163.06003	21.9
163.14793	1.1
171.11633	6.1
173.13243	4.7
175.11267	0.7
175.14775	4.5
177.12823	0.9
183.11667	0.7
185.13249	5.5
187.14635	0.6
197.13263	0.8
197.89630	0.6
199.14813	4.9
203.14404	0.7
213.16353	0.8
215.18108	0.6
231.21037	2.9
241.13042	0.6
241.19470	7.9
259.20560	31.2
259.23322	1.2
320.09167	2.8
321.09869	1.2
325.11310	12.3
333.24387	0.9
334.10596	1.4
336.12299	4.3
351.25281	100.0
363.25320	2.7
375.25140	1.4
393.26349	1.1
405.26318	0.7
417.26233	0.9
429.26138	0.8
441.26373	2.9
459.27362	3.3
477.28381	5.5
495.29596	11.3
509.38983	0.6
513.30316	4.4
537.44116	0.6
591.20789	0.6
640.38513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25949	0.1
81.59606	0.1
88.88137	0.1
103.29014	0.1
137.05994	0.2
262.08728	0.2
287.24414	0.1
290.08224	0.3
292.09665	3.5
318.07642	0.7
319.08368	0.6
320.09180	100.0
321.09689	0.2
322.10678	0.2
334.10794	1.3
335.11063	0.2
336.12192	0.9
337.12405	0.2
338.13669	0.2
352.08215	1.1
352.15353	0.4
712.23895	0.1
816.40948	0.2
874.30731	9.8
893.38055	0.1
899.03888	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76453	0.1
86.65009	0.1
91.45265	0.1
111.17220	0.1
167.06908	0.3
167.26834	0.1
169.76379	0.1
172.29884	0.1
177.05341	0.2
181.04961	0.1
184.45461	0.1
207.06247	0.1
277.07266	0.1
290.08047	0.4
292.09641	3.2
308.09451	0.2
318.07581	0.5
319.08472	0.2
320.09158	100.0
321.09644	0.2
334.10739	0.5
336.12332	0.3
338.13812	0.2
514.18707	0.3
594.57666	0.1
764.08234	0.1
874.30695	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98559	0.2
73.02861	0.1
93.90034	0.2
102.20296	0.2
109.66299	0.2
111.11431	0.2
118.58953	0.2
121.86521	0.2
137.05856	0.3
167.07025	0.7
182.03780	0.2
211.09250	0.2
217.92012	0.2
271.45978	0.2
290.08221	0.7
292.06549	0.3
292.09622	3.9
318.07629	1.2
319.08481	0.2
320.09158	100.0
321.09659	0.3
322.10565	0.9
334.10617	0.3
335.11200	0.2
336.12360	1.2
352.15491	0.2
470.16324	0.2
498.16104	0.3
874.30707	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59630	0.1
72.84312	0.1
76.39189	0.1
92.21628	0.1
98.03136	0.1
99.71271	0.1
103.80759	0.1
159.67699	0.1
203.54500	0.1
203.56593	0.1
215.69611	0.1
277.07245	0.2
290.08105	0.2
292.09622	3.0
318.07565	0.6
319.08521	0.5
320.09174	100.0
322.10559	0.1
334.10721	1.2
336.12326	0.3
491.60010	0.1
562.77362	0.1
646.21991	0.2
678.23169	0.2
738.13898	0.1
767.93805	0.1
874.30725	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94824	0.1
86.64888	0.2
112.40147	0.2
151.02339	0.2
196.33842	0.2
220.10463	0.2
229.24493	0.2
241.28590	0.2
290.08084	0.4
292.09625	3.5
318.07562	0.6
319.08444	0.3
320.09161	100.0
334.10770	1.0
336.12466	0.7
350.26239	0.2
413.17111	0.2
498.15472	0.3
596.45203	0.2
672.06854	0.2
874.30627	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06077	0.1
74.06033	0.1
86.09719	1.0
95.58193	0.1
104.15281	0.1
120.08039	0.6
124.97421	0.1
132.72423	0.1
151.03874	0.1
205.31065	0.1
212.20317	0.1
264.10422	0.1
277.07419	0.2
290.08121	0.6
292.09692	3.0
307.08322	0.2
318.07593	0.5
319.08392	0.6
320.09174	100.0
321.09674	0.4
334.10751	1.3
336.12186	0.6
338.13751	0.3
830.01019	0.1
873.93713	0.2
874.30640	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
75.13803	0.2
76.67934	0.2
96.12871	0.2
109.13029	0.3
129.12746	0.2
192.48257	0.3
228.83830	0.3
277.07434	0.3
290.08096	0.5
292.09674	3.1
318.07574	1.2
319.08478	1.2
320.09171	100.0
322.10721	1.2
323.11108	0.3
334.10739	2.6
335.11090	0.3
336.12305	1.6
337.12708	1.0
338.13550	0.5
352.15460	1.6
353.15723	1.5
458.47650	0.3
575.11792	0.3
833.19556	0.3
874.30768	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
158.48045	0.1
195.44249	0.1
277.07291	0.3
290.08200	0.7
292.06601	0.2
292.09686	3.4
308.09027	0.2
318.07626	0.8
319.08261	0.4
320.09167	100.0
321.09839	0.2
322.10699	0.7
324.11978	0.2
328.10651	0.2
331.75034	0.1
334.10727	0.9
336.12323	0.6
337.12979	0.2
338.13303	0.2
352.15378	0.9
353.15863	0.9
354.16217	0.2
356.58557	0.2
498.15399	1.3
678.23523	0.2
697.24152	0.2
859.55756	0.2
874.30707	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86770	0.2
65.14888	0.2
74.11954	0.2
85.19543	0.3
85.54257	0.2
87.01527	0.3
216.90791	0.3
248.68613	0.2
254.81454	0.3
290.07922	0.4
292.09689	4.1
307.08456	1.1
308.12720	2.0
309.13171	1.7
310.13623	0.4
318.07629	0.5
319.08371	1.2
320.09161	100.0
321.09726	0.5
322.10538	3.5
323.11179	1.4
324.11926	1.1
334.10596	2.2
336.12259	4.2
337.12878	6.9
338.13318	5.8
339.13596	2.1
352.15427	17.6
353.15735	17.5
354.15973	8.4
498.15643	3.0
500.17191	0.3
512.17480	0.4
678.24084	0.3
874.30719	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06221	0.1
69.57077	0.2
82.72753	0.1
84.08024	0.1
113.76360	0.1
124.03922	0.2
175.03821	0.2
290.08133	0.5
292.09683	3.1
309.11264	0.3
318.07513	0.8
319.08322	1.7
320.09161	100.0
321.09607	0.6
322.10321	0.3
334.10721	3.6
336.12051	0.8
384.06415	0.2
388.58768	0.2
516.27710	0.1
716.26624	0.1
863.42426	0.2
876.30536	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06221	0.1
69.57077	0.2
82.72753	0.1
84.08024	0.1
113.76360	0.1
124.03922	0.2
175.03821	0.2
290.08133	0.5
292.09683	3.1
309.11264	0.3
318.07513	0.8
319.08322	1.7
320.09161	100.0
321.09607	0.6
322.10321	0.3
334.10721	3.6
336.12051	0.8
384.06415	0.2
388.58768	0.2
516.27710	0.1
716.26624	0.1
863.42426	0.2
876.30536	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06221	0.1
69.57077	0.2
82.72753	0.1
84.08024	0.1
113.76360	0.1
124.03922	0.2
175.03821	0.2
290.08133	0.5
292.09683	3.1
309.11264	0.3
318.07513	0.8
319.08322	1.7
320.09161	100.0
321.09607	0.6
322.10321	0.3
334.10721	3.6
336.12051	0.8
384.06415	0.2
388.58768	0.2
516.27710	0.1
716.26624	0.1
863.42426	0.2
876.30536	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.0
63.40487	0.8
64.21309	0.9
67.05512	19.4
69.03453	1.0
69.07066	7.5
71.05013	1.0
72.40880	0.9
79.05502	10.6
81.07060	29.3
83.04955	1.3
83.08631	5.9
85.02924	4.9
85.06555	1.4
91.03944	3.7
91.05475	8.7
93.07047	15.4
94.64603	0.9
95.04975	0.9
95.08608	21.0
97.02888	2.3
97.06516	2.2
97.10163	1.9
105.07047	10.9
107.08604	14.2
109.10156	10.0
111.08106	1.2
117.07006	4.2
119.08584	13.4
121.06543	1.0
121.10149	13.2
123.11702	3.5
131.08549	8.9
133.10144	11.0
135.11679	7.2
143.08543	4.1
145.04953	1.4
145.10153	9.1
147.11703	13.6
149.13240	6.5
157.10176	1.6
159.11678	9.1
161.13254	5.1
163.14789	1.6
165.12733	3.6
171.11690	3.8
173.13239	7.1
175.14793	3.9
187.14807	1.7
239.16475	5.0
261.22351	1.6
299.23666	1.1
333.24304	1.3
333.48373	1.0
335.25739	4.9
387.77255	1.1
425.34003	3.9
443.35172	1.1
499.37808	14.1
517.38892	100.0
661.42334	1.4
680.93018	1.0
811.85583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71561	1.2
61.02940	2.1
67.05508	16.6
69.03424	1.2
69.07066	5.9
79.05508	11.1
81.07063	30.4
83.08618	4.6
83.48418	1.1
85.02908	6.8
87.86936	1.2
88.35161	1.3
91.03970	1.7
91.05471	9.5
93.07036	13.6
95.08614	21.5
97.02895	1.4
97.10175	1.4
105.07024	13.7
107.08588	14.4
109.06544	1.4
109.10154	11.2
110.38515	1.1
117.07005	3.0
119.08570	12.4
121.10134	13.3
123.11736	6.0
125.09635	1.6
131.08574	6.7
133.10130	9.3
135.11703	6.8
137.13310	1.5
145.10123	8.1
147.11671	12.9
149.13272	5.4
157.10110	1.6
159.11662	8.9
161.13261	6.3
163.14926	1.7
165.12801	2.0
171.11766	1.7
173.13216	6.0
175.14813	2.1
187.14856	1.7
199.14760	1.5
211.14758	2.1
215.18031	1.4
239.16420	6.3
241.17943	1.6
242.82329	1.6
244.31216	1.3
335.25833	6.2
336.12173	1.7
425.33905	2.4
443.34833	2.0
499.37878	12.5
517.38898	100.0
545.13159	1.5
562.68549	1.3
876.50909	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64110	3.5
64.67636	3.2
70.84175	3.2
71.08623	27.1
73.06548	4.4
73.24962	3.8
77.30319	3.4
85.10188	9.3
87.04484	6.5
89.06028	88.0
133.08592	23.6
147.34435	3.5
163.20380	3.6
177.11205	5.9
266.32736	3.8
289.18842	4.1
313.30954	5.7
317.23248	4.5
859.63263	32.7
874.98688	6.1
876.66077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91762	0.2
65.04879	0.2
67.05485	0.2
68.88436	0.2
69.03432	100.0
72.43481	0.2
72.75171	0.2
87.04471	2.1
95.08616	0.3
107.08549	0.2
109.10168	0.3
155.07022	20.7
155.31532	0.3
164.07098	0.9
165.92250	0.2
173.08131	0.4
241.10672	7.6
248.83823	0.3
259.11816	1.6
280.18881	0.3
327.14389	6.2
336.12378	1.0
345.15451	3.4
394.02707	0.3
413.17935	2.5
431.19174	3.6
499.21704	2.0
517.22864	2.1
585.25171	0.9
603.26636	0.5
614.28925	0.3
786.13300	0.3
878.38696	3.1
878.53033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.8
67.05508	12.8
69.03428	5.1
69.07063	3.0
74.90203	1.3
77.47318	1.2
79.05505	10.0
81.07080	11.9
83.08636	9.8
85.02891	3.2
91.03937	2.1
91.05466	10.8
93.07047	13.9
95.08626	5.4
97.02866	1.7
97.10172	35.9
99.36958	1.4
105.07034	11.8
106.16877	1.2
107.08598	16.1
109.10161	2.9
109.88070	1.3
111.08092	1.9
117.07008	2.2
119.08578	13.6
121.10152	7.6
125.09623	42.8
131.08563	5.5
133.10130	15.9
135.08060	2.3
135.11705	8.2
141.78387	1.4
143.08591	2.7
145.10078	7.5
147.11694	15.5
149.13275	3.1
157.10330	1.7
159.11705	7.7
161.13205	10.4
171.10280	2.1
171.11694	2.5
173.13280	3.0
185.13266	2.5
189.11218	22.0
219.33228	1.6
227.12779	12.4
241.19559	6.2
245.13829	25.6
259.20596	27.7
277.21555	1.5
306.90326	1.4
333.24133	10.3
336.12274	6.8
378.10513	1.5
503.33383	8.0
521.34729	100.0
629.36426	2.0
665.39429	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.8
67.05508	12.8
69.03428	5.1
69.07063	3.0
74.90203	1.3
77.47318	1.2
79.05505	10.0
81.07080	11.9
83.08636	9.8
85.02891	3.2
91.03937	2.1
91.05466	10.8
93.07047	13.9
95.08626	5.4
97.02866	1.7
97.10172	35.9
99.36958	1.4
105.07034	11.8
106.16877	1.2
107.08598	16.1
109.10161	2.9
109.88070	1.3
111.08092	1.9
117.07008	2.2
119.08578	13.6
121.10152	7.6
125.09623	42.8
131.08563	5.5
133.10130	15.9
135.08060	2.3
135.11705	8.2
141.78387	1.4
143.08591	2.7
145.10078	7.5
147.11694	15.5
149.13275	3.1
157.10330	1.7
159.11705	7.7
161.13205	10.4
171.10280	2.1
171.11694	2.5
173.13280	3.0
185.13266	2.5
189.11218	22.0
219.33228	1.6
227.12779	12.4
241.19559	6.2
245.13829	25.6
259.20596	27.7
277.21555	1.5
306.90326	1.4
333.24133	10.3
336.12274	6.8
378.10513	1.5
503.33383	8.0
521.34729	100.0
629.36426	2.0
665.39429	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73407	0.5
63.21721	0.5
68.91479	0.6
69.07057	1.3
70.02936	0.5
70.06590	41.6
72.08156	44.2
73.56892	0.5
86.09703	31.0
87.05595	2.7
88.03999	1.3
88.20857	0.5
95.07729	0.6
114.09149	1.2
116.07092	10.8
133.06161	1.2
141.10193	2.8
142.08617	0.8
155.11769	1.3
156.10197	3.7
159.26494	0.5
166.08627	0.9
169.09714	5.9
183.11371	8.4
183.14911	48.5
184.09590	1.2
185.16496	1.2
186.12370	3.2
195.14867	1.3
197.09296	3.9
200.13911	8.4
201.12332	100.0
207.91225	0.7
211.10739	1.1
211.14410	14.3
213.08699	3.1
213.15973	0.6
214.11842	16.1
223.14378	0.7
228.13333	5.2
229.11813	48.4
242.11270	0.8
269.18619	6.0
281.11453	1.1
282.18085	4.9
283.16507	0.8
297.18137	1.2
308.16107	0.8
310.17471	4.3
319.08429	0.8
326.13693	0.7
326.17160	2.3
326.20700	21.7
327.20267	3.9
328.18604	5.8
329.14648	0.6
334.10718	3.7
336.11945	0.7
343.16071	3.0
355.19611	1.3
379.20062	0.6
397.20584	0.7
425.19711	0.8
438.27039	0.7
439.29050	1.0
442.22931	16.8
510.28656	1.1
527.31732	6.9
538.28680	10.9
553.32935	1.3
555.31354	76.3
652.36224	3.3
748.42072	1.3
765.44843	21.2
880.34540	2.2
880.51093	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26115	2.0
67.05493	3.1
69.07057	3.8
69.55460	1.7
71.08628	13.3
75.75695	1.8
79.05506	3.7
81.07059	11.0
83.08170	1.9
83.08624	13.9
85.10181	10.2
93.07050	10.7
95.04939	2.4
95.08617	32.4
97.02884	2.5
97.06544	2.3
97.10185	4.7
105.07056	3.4
107.04942	2.7
107.08585	8.2
109.10188	4.6
119.08614	4.2
121.06557	2.8
121.10136	9.1
135.11687	42.3
145.10138	18.3
163.11166	62.0
172.89160	2.1
181.12259	13.4
192.84312	2.1
227.12753	64.2
241.78987	2.2
283.15384	54.9
313.27341	65.0
521.38354	100.0
539.39331	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
129.24411	0.3
145.09091	0.3
175.03908	0.3
199.54277	0.3
213.21275	0.3
218.49680	0.3
230.96701	0.3
290.08084	10.0
292.09598	0.5
302.08209	3.1
304.06052	9.6
305.06531	0.3
318.03833	0.4
318.07584	13.8
319.08374	59.3
320.09131	30.3
321.09097	1.2
322.10638	1.3
334.10715	100.0
335.11078	3.5
336.12225	4.6
337.12296	0.3
380.34900	0.4
432.25537	0.3
513.18005	0.3
882.29242	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06113	0.1
69.81659	0.1
123.71513	0.1
183.04878	0.1
207.73555	0.2
212.92453	0.2
233.43633	0.2
235.27322	0.1
250.68452	0.1
290.08151	0.6
292.09653	3.7
304.06216	0.1
306.22086	0.1
318.07755	0.9
319.08221	1.2
320.09171	100.0
334.10696	1.8
336.12326	0.5
385.90591	0.1
599.93103	0.1
882.29657	9.9
906.44556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37195	0.3
68.20200	0.3
74.44682	0.3
95.63256	0.3
99.18652	0.4
117.10692	0.4
140.24721	0.4
158.41246	0.4
174.05476	0.4
193.09456	0.4
290.08026	7.9
292.09637	1.7
302.08020	2.5
304.06012	8.6
308.08893	0.4
318.07578	12.8
319.08368	54.9
320.09149	39.1
320.12289	0.5
321.09335	0.5
334.10696	100.0
336.12195	1.5
496.17642	0.5
519.80115	0.4
684.87091	0.4
717.27985	0.5
882.29517	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
81.18378	0.3
82.79179	0.3
109.33890	0.3
113.67525	0.3
119.20190	0.4
119.88886	0.3
145.63124	0.3
234.73006	0.3
276.06598	0.5
290.08145	10.7
302.08218	3.0
304.06079	9.3
312.34274	0.4
318.07596	13.2
319.08392	58.6
320.09183	7.0
321.09631	0.7
322.11078	0.5
334.10730	100.0
335.11023	0.6
336.12155	1.9
338.13791	0.7
465.09253	0.4
526.71252	0.4
882.29529	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
87.61182	0.1
94.16935	0.1
109.95631	0.1
145.78764	0.1
191.96561	0.1
215.74727	0.1
262.08578	0.2
290.08072	0.7
292.09659	3.5
302.08057	0.2
304.05972	0.6
318.07620	1.8
319.08380	3.8
320.09171	100.0
334.10706	8.7
336.12286	0.6
345.10016	0.2
355.51624	0.1
360.12247	0.9
392.20895	0.1
778.21655	0.2
882.29541	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11746	0.2
70.25114	0.2
75.20918	0.2
95.84872	0.2
99.49482	0.2
117.81927	0.2
175.03886	0.3
188.07022	1.2
189.07764	0.4
190.08539	0.4
199.06250	0.2
206.08092	0.4
207.06506	1.3
250.23239	0.3
290.08072	3.4
290.16199	0.2
292.09634	3.0
302.08063	0.7
304.05963	2.5
306.07596	0.3
308.09045	0.2
318.07596	7.9
319.04608	0.5
319.08374	13.8
320.09158	100.0
321.09326	0.4
324.12259	0.3
334.10721	24.3
335.10971	1.4
336.12244	2.2
342.13290	1.4
352.41422	0.2
360.12292	0.8
434.44550	0.2
543.77930	0.2
630.21588	0.3
648.22058	0.3
708.24347	1.2
882.29596	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83595	0.3
69.61167	0.3
73.94115	0.3
94.50578	0.3
116.08994	0.3
117.23102	0.3
131.04944	1.3
216.77275	0.3
251.59276	0.4
290.08099	10.0
292.09592	2.3
302.08112	3.4
304.06027	8.8
304.09482	0.4
318.07608	13.7
319.08380	54.6
320.09152	89.9
321.09363	0.5
334.10709	100.0
335.11038	2.0
336.11984	1.5
337.12698	0.4
624.83099	0.4
882.29529	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87157	0.4
94.54646	0.3
142.58134	0.4
144.30524	0.3
145.80811	0.4
207.06554	0.9
227.18214	0.4
290.08090	8.9
292.09781	2.8
302.08286	2.7
304.06100	7.3
318.07663	12.1
319.08405	51.1
320.09174	100.0
334.10733	89.6
335.11209	0.5
336.12045	1.7
338.13831	0.5
338.62939	0.4
650.80713	0.4
884.29083	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87157	0.4
94.54646	0.3
142.58134	0.4
144.30524	0.3
145.80811	0.4
207.06554	0.9
227.18214	0.4
290.08090	8.9
292.09781	2.8
302.08286	2.7
304.06100	7.3
318.07663	12.1
319.08405	51.1
320.09174	100.0
334.10733	89.6
335.11209	0.5
336.12045	1.7
338.13831	0.5
338.62939	0.4
650.80713	0.4
884.29083	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
84.42814	0.2
92.20941	0.3
205.29160	0.2
233.94885	0.2
256.41885	0.2
290.08105	5.5
292.09647	3.2
302.08109	1.2
304.06030	4.8
318.07620	7.1
319.08389	28.7
320.09177	100.0
322.10721	0.5
334.10733	54.8
336.12271	1.2
405.95300	0.2
884.28949	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
93.89897	0.2
100.60725	0.2
109.93204	0.2
207.06476	0.3
262.08627	0.3
278.07956	0.8
290.08118	3.2
292.09595	3.2
302.08069	0.8
304.06042	2.4
306.07440	0.9
310.07147	0.4
318.07629	4.1
319.04611	0.4
319.08386	15.4
320.09158	100.0
321.09464	2.8
322.09909	1.0
334.10703	27.8
335.11230	2.1
336.12244	4.2
473.22400	0.2
884.30927	23.0
895.02393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46103	0.2
63.95337	0.2
91.07400	0.2
119.28043	0.3
235.83180	0.3
253.43561	0.3
288.68231	0.3
290.08115	4.2
292.09637	3.6
302.08096	1.8
304.05969	3.6
304.09174	0.3
305.06702	0.3
306.07553	0.4
308.09283	0.4
308.12793	1.1
318.07663	5.0
319.08389	25.6
320.09140	23.7
321.09857	6.5
322.10452	1.0
334.10718	44.1
335.11169	2.6
336.12277	100.0
338.13614	0.6
350.10126	0.3
414.24326	0.4
884.30939	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35304	0.1
69.53622	0.1
86.70300	0.1
105.02322	0.1
137.93513	0.1
167.06863	0.2
190.86206	0.1
270.31897	0.2
276.06479	0.3
290.08090	9.6
302.08105	2.6
303.08716	0.3
304.06033	8.7
304.09521	0.3
305.06906	0.2
318.03790	0.3
318.07602	12.2
319.08389	55.6
320.09113	0.8
322.10541	0.3
334.10727	100.0
335.10934	0.2
336.12149	0.3
358.73050	0.1
425.11743	0.1
568.60583	0.1
884.31158	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11612	0.3
78.70780	0.4
86.43251	0.4
87.44169	0.4
96.13449	0.4
99.44030	0.4
110.97787	0.4
115.92142	0.3
163.98198	0.4
174.05391	0.4
216.60027	0.3
290.08112	8.5
302.08121	2.6
303.08984	0.4
304.06030	9.4
304.09250	0.5
318.07593	11.3
319.08389	51.5
320.09210	3.8
321.09393	2.8
322.10754	5.2
326.77533	0.4
334.10715	100.0
335.11356	0.7
336.12317	1.5
765.37213	0.5
884.31152	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
79.85387	0.2
85.79217	0.2
98.60289	0.2
148.74072	0.3
152.72026	0.2
181.08687	0.2
218.72432	0.3
289.52621	0.3
290.08218	0.5
292.09680	3.3
304.06003	0.4
318.07687	1.8
319.08319	4.3
320.09158	100.0
321.09808	0.3
334.10770	7.0
335.11087	0.5
336.12280	1.9
437.83273	0.3
884.31158	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39849	0.2
87.73015	0.2
108.35754	0.2
142.36642	0.2
182.53378	0.2
233.48303	0.2
275.00815	0.2
278.08069	0.8
290.08102	2.4
292.09671	3.4
302.08008	0.3
304.06039	1.6
305.06738	0.3
306.07611	0.4
318.07642	2.5
319.08398	11.0
320.09177	100.0
321.09506	3.6
322.10043	1.5
334.10730	21.6
335.11224	2.5
336.12277	9.1
804.77710	0.2
884.30872	20.1
909.06018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55556	0.3
75.11913	0.3
76.77579	0.3
81.70179	0.3
92.21548	0.4
105.23227	0.3
157.27036	0.4
175.03806	0.4
177.05530	0.3
191.06975	0.4
205.04907	1.5
207.06662	0.4
276.06531	0.4
290.08115	9.4
297.09827	0.4
302.08267	2.6
302.11099	0.3
304.06036	9.0
318.07581	12.1
319.08374	53.2
320.09125	8.0
321.09460	0.4
322.10651	0.7
334.10715	100.0
335.11038	0.5
336.12177	1.2
443.41425	0.4
827.64539	0.4
884.30609	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
84.94349	0.2
85.67580	0.2
90.70527	0.2
92.20837	0.3
276.06372	0.3
290.08102	8.9
302.08154	2.8
304.06006	9.6
318.07584	11.6
319.08377	52.3
320.08960	0.9
322.10635	1.0
334.10709	100.0
606.23499	0.2
646.04541	0.2
652.83899	0.2
884.31110	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20944	0.4
104.76224	0.2
124.88351	0.2
137.91306	0.3
290.08072	9.5
292.09808	0.4
297.74640	0.3
302.08069	2.7
303.09125	0.3
304.06058	8.9
318.07605	11.7
319.08380	56.8
320.09171	10.6
322.10776	1.0
334.10730	100.0
704.13672	0.3
884.31134	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.312
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43937	0.2
71.88506	0.1
150.45970	0.2
216.77280	0.2
272.09033	0.2
276.06488	0.3
290.08084	8.8
302.08124	2.8
304.06030	7.9
318.03802	0.3
318.07590	11.1
319.08383	52.7
320.09177	1.0
321.09311	0.2
322.10648	0.3
330.52255	0.2
334.10727	100.0
723.81287	0.2
766.57483	0.2
884.31079	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
88.00219	0.4
181.08533	1.1
204.98244	0.5
207.06487	0.8
278.08160	0.6
282.07849	0.6
290.08105	2.0
292.09573	4.0
296.09283	0.6
304.06000	1.9
310.07028	2.1
318.07651	3.8
319.08377	13.0
320.09161	100.0
321.09732	2.6
322.10696	0.9
324.08582	1.1
334.06757	1.0
334.10739	25.7
335.11142	6.7
336.12106	9.8
352.11987	0.8
367.15329	0.6
849.20599	0.6
884.29932	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
119.29369	0.2
121.74226	0.2
276.06467	0.4
286.15244	0.2
290.08084	9.5
302.08121	2.9
304.06015	9.1
310.93063	0.2
318.07596	13.0
319.08374	54.9
320.08966	0.4
334.10709	100.0
335.11145	0.4
374.10141	0.3
390.12943	0.2
467.00739	0.2
850.47559	0.3
884.31128	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
87.76900	0.2
89.46540	0.2
123.74812	0.2
135.48567	0.2
158.41199	0.2
217.16364	0.2
276.06393	0.4
290.08115	8.8
302.08093	2.3
304.06042	9.0
312.15512	0.2
318.07611	12.5
319.08398	53.8
320.09076	1.2
334.10739	100.0
516.44220	0.2
884.31152	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46103	0.2
63.95337	0.2
91.07400	0.2
119.28043	0.3
235.83180	0.3
253.43561	0.3
288.68231	0.3
290.08115	4.2
292.09637	3.6
302.08096	1.8
304.05969	3.6
304.09174	0.3
305.06702	0.3
306.07553	0.4
308.09283	0.4
308.12793	1.1
318.07663	5.0
319.08389	25.6
320.09140	23.7
321.09857	6.5
322.10452	1.0
334.10718	44.1
335.11169	2.6
336.12277	100.0
338.13614	0.6
350.10126	0.3
414.24326	0.4
884.30939	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
93.89897	0.2
100.60725	0.2
109.93204	0.2
207.06476	0.3
262.08627	0.3
278.07956	0.8
290.08118	3.2
292.09595	3.2
302.08069	0.8
304.06042	2.4
306.07440	0.9
310.07147	0.4
318.07629	4.1
319.04611	0.4
319.08386	15.4
320.09158	100.0
321.09464	2.8
322.09909	1.0
334.10703	27.8
335.11230	2.1
336.12244	4.2
473.22400	0.2
884.30927	23.0
895.02393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27753	0.2
68.17789	0.2
84.43394	0.2
99.97724	0.2
123.67822	0.2
185.67303	0.2
205.11586	0.2
259.95953	0.3
276.06558	0.3
290.08090	9.4
302.08124	2.5
304.06058	9.8
318.07611	11.9
319.08392	53.1
320.09094	1.3
321.09616	1.2
322.09930	0.4
334.10733	100.0
335.11185	0.3
336.12122	0.4
342.73813	0.2
345.34659	0.2
683.51740	0.2
776.56165	0.3
884.31219	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55556	0.3
75.11913	0.3
76.77579	0.3
81.70179	0.3
92.21548	0.4
105.23227	0.3
157.27036	0.4
175.03806	0.4
177.05530	0.3
191.06975	0.4
205.04907	1.5
207.06662	0.4
276.06531	0.4
290.08115	9.4
297.09827	0.4
302.08267	2.6
302.11099	0.3
304.06036	9.0
318.07581	12.1
319.08374	53.2
320.09125	8.0
321.09460	0.4
322.10651	0.7
334.10715	100.0
335.11038	0.5
336.12177	1.2
443.41425	0.4
827.64539	0.4
884.30609	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96805	1.4
89.78162	1.3
98.74434	1.2
132.32455	1.3
134.18842	1.3
134.58846	1.4
161.06020	2.1
166.06219	6.6
168.69647	1.4
180.20056	1.2
181.08606	27.8
190.06232	9.3
191.07001	1.4
199.07553	14.3
205.08606	22.5
206.09328	1.5
207.06487	2.3
217.12675	1.4
239.94888	1.2
290.08124	7.6
291.08707	1.9
292.09637	5.6
303.10388	1.4
304.06012	7.7
304.10858	5.8
305.08450	2.0
305.11441	9.5
306.07449	2.4
318.07645	12.1
319.08395	34.9
320.09103	100.0
321.10974	13.9
322.10733	6.7
334.10730	77.8
335.10950	25.8
336.12839	50.2
337.10870	1.9
367.15359	61.2
407.48795	1.4
427.17499	19.9
884.30261	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96805	1.4
89.78162	1.3
98.74434	1.2
132.32455	1.3
134.18842	1.3
134.58846	1.4
161.06020	2.1
166.06219	6.6
168.69647	1.4
180.20056	1.2
181.08606	27.8
190.06232	9.3
191.07001	1.4
199.07553	14.3
205.08606	22.5
206.09328	1.5
207.06487	2.3
217.12675	1.4
239.94888	1.2
290.08124	7.6
291.08707	1.9
292.09637	5.6
303.10388	1.4
304.06012	7.7
304.10858	5.8
305.08450	2.0
305.11441	9.5
306.07449	2.4
318.07645	12.1
319.08395	34.9
320.09103	100.0
321.10974	13.9
322.10733	6.7
334.10730	77.8
335.10950	25.8
336.12839	50.2
337.10870	1.9
367.15359	61.2
407.48795	1.4
427.17499	19.9
884.30261	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
76.06525	0.5
81.07071	0.6
92.20953	0.6
95.31689	0.5
95.32313	0.5
146.58234	0.5
151.97641	0.5
210.41713	0.5
292.09683	9.0
304.09595	1.1
306.07587	2.9
320.09155	11.7
321.09955	28.5
334.10675	2.7
335.11133	0.7
336.12286	100.0
397.66360	0.5
732.69855	0.7
915.53552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.52
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18631	0.2
67.05515	1.4
67.29655	0.2
69.03435	4.7
69.07070	100.0
71.05003	0.3
73.02922	0.4
76.02788	0.2
81.03431	2.0
81.07028	0.3
83.04975	3.8
85.02919	0.5
87.08105	23.5
87.43587	0.2
91.03925	0.2
95.04968	1.2
95.46310	0.3
97.06535	2.0
99.04431	0.3
105.09148	1.6
111.04442	17.1
115.07582	0.3
128.10735	0.5
129.05481	8.7
133.08640	0.4
147.06517	9.1
147.07646	0.4
165.07581	6.3
173.15350	18.9
177.23984	0.2
215.12859	0.5
219.15999	0.3
219.55087	0.2
225.11234	0.4
229.14334	9.4
243.12341	1.3
261.13354	3.6
279.14551	0.4
339.18134	0.3
343.21121	10.1
357.19238	1.1
375.20151	2.6
393.21265	1.2
453.25012	1.1
471.25754	2.5
489.26947	6.0
507.28043	3.4
571.35211	0.3
598.88397	0.3
603.33820	11.7
621.34839	3.5
717.40521	14.9
735.41248	1.7
831.47321	25.2
863.18433	0.3
884.53625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05970	1.3
63.72753	1.3
77.92362	1.3
86.22403	1.4
151.03918	10.4
161.05986	2.6
167.07060	3.8
191.06964	1.7
193.65132	1.4
199.07597	6.2
231.08058	3.3
243.07954	1.8
248.08424	2.3
249.09123	2.0
259.07700	2.7
263.10709	3.5
273.09039	2.0
276.07831	17.9
277.08514	1.9
288.07785	3.2
289.08658	6.9
290.09247	3.4
291.10098	16.0
292.10941	1.8
293.08249	6.1
304.06995	1.9
305.08319	2.8
308.10355	13.8
318.08118	3.6
319.09595	41.1
320.09094	29.7
321.09415	17.1
323.12793	10.0
334.10742	31.9
335.11084	11.6
336.12888	10.8
337.13022	2.5
338.13907	2.0
351.07883	3.4
351.12265	100.0
368.16010	1.8
397.40063	1.6
407.40524	1.7
497.15411	2.2
607.22107	2.5
676.73676	1.8
767.43799	1.9
856.08148	1.8
885.29883	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92753	0.2
64.49858	0.1
290.08182	1.3
292.09698	2.9
302.08200	0.3
304.06006	0.9
318.07574	2.2
319.08408	5.4
320.09180	100.0
321.09622	1.1
322.10715	0.8
334.10754	10.6
335.11047	1.8
336.12289	9.6
336.16406	0.3
376.22183	0.2
886.28217	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43377	0.7
87.09032	0.6
87.14580	0.6
107.51212	0.6
111.02522	0.7
125.54674	0.7
178.11549	0.6
231.99614	0.7
290.08115	9.0
292.09802	3.3
302.08096	2.1
304.06116	8.6
318.07623	13.1
319.08383	54.7
320.09158	54.1
321.09763	2.4
322.10739	0.9
334.10721	100.0
335.11026	1.0
336.12296	10.9
392.03720	0.8
514.18634	1.0
886.29211	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.327
Annotation	Unknow
Peak:m/z	Relative Intensity
73.60297	0.3
95.04974	0.3
153.60594	0.3
182.67819	0.3
290.08133	4.8
291.08505	0.7
292.09677	5.2
302.08121	1.7
304.06027	4.4
304.09241	0.8
305.06161	0.4
306.07614	1.6
308.12878	0.6
318.07538	6.6
319.08365	28.0
320.09033	16.0
321.09903	17.5
322.10703	4.7
334.10724	51.5
335.11060	9.6
336.12265	100.0
352.15292	0.4
430.57367	0.3
456.72815	0.4
599.18793	0.4
653.16382	0.3
886.32257	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
97.16647	0.3
99.04427	0.3
100.23240	0.3
103.70493	0.3
290.08102	9.7
292.09589	1.1
302.08057	2.4
304.06079	8.2
304.09360	0.7
305.06479	0.4
308.09097	0.4
318.07596	10.9
319.08386	51.7
320.08960	2.0
321.09933	2.8
322.10715	0.6
334.10727	100.0
335.11038	1.2
336.12286	10.4
336.16110	0.3
337.13022	0.5
352.11493	0.5
352.15466	2.9
363.68951	0.3
476.09805	0.3
686.90405	0.4
886.32690	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47599	0.3
84.03309	0.3
93.53051	0.2
126.42123	0.3
136.34352	0.2
142.51707	0.2
242.59161	0.3
245.69360	0.3
254.41383	0.3
276.06564	0.4
290.08105	9.4
302.08133	2.6
304.06024	7.5
318.07617	11.0
319.08386	55.4
320.08942	2.3
321.09811	0.6
334.10721	100.0
335.11050	1.8
336.12250	5.2
379.03302	0.3
443.58679	0.3
526.18188	0.3
601.56592	0.3
886.32690	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
151.27940	0.3
213.26266	0.3
276.06567	0.5
278.08337	0.6
290.08130	9.4
302.05075	0.3
302.08124	3.0
304.06061	8.2
306.07565	0.8
318.07629	11.5
319.08383	53.4
320.08945	1.4
321.09955	0.5
334.10724	100.0
336.12283	4.2
392.93930	0.4
505.11212	0.4
743.05481	0.4
886.32703	64.6
895.06976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36226	0.5
71.42263	0.5
73.18903	0.7
78.67454	0.7
91.24063	0.6
98.51373	0.6
226.60477	0.7
272.55728	0.7
278.08118	13.7
290.08170	9.5
292.09955	1.2
302.08441	2.6
304.06036	9.0
304.09259	0.8
306.07620	22.0
307.08496	0.9
308.09335	2.5
318.07620	12.3
319.08380	55.2
320.09167	8.6
321.09686	4.7
322.10745	8.6
334.10724	100.0
335.11090	5.9
336.12296	25.8
342.13751	0.7
494.42926	0.8
886.31873	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90610	0.7
67.59222	0.7
69.03421	6.4
71.04987	1.1
73.02912	0.9
81.03432	9.4
83.05004	1.1
85.02908	11.5
91.05482	3.4
95.04999	0.9
97.02898	6.9
99.04455	72.0
103.95242	0.8
105.28831	0.7
107.04979	1.8
109.02914	3.3
111.71767	0.7
112.78714	0.8
117.03461	0.7
117.05509	1.2
119.04925	5.8
121.06509	1.5
123.04477	4.2
127.03900	6.2
133.06505	1.6
135.04433	3.8
141.05522	0.9
142.33827	0.9
145.02887	3.2
145.05006	1.2
147.04448	5.1
149.06015	3.0
151.07643	1.0
153.05521	1.1
155.07059	1.5
161.06017	3.2
163.03891	11.5
165.05614	0.9
167.07019	17.4
169.06491	0.8
173.06021	1.2
175.03885	14.7
175.07582	0.9
177.05484	11.0
179.07011	7.8
180.04286	1.1
180.07777	1.3
182.09483	3.1
183.08044	1.6
189.05452	1.0
190.06136	0.9
191.03471	3.8
191.07050	11.0
192.04300	0.8
192.07906	1.5
193.08720	1.9
195.06549	5.9
197.08127	1.9
201.09242	1.6
204.07935	1.3
205.04944	19.3
205.08615	1.4
207.06511	31.2
209.04547	1.3
209.08141	3.0
210.08908	1.7
219.06630	5.0
219.10043	0.9
221.08119	1.8
223.05988	44.1
225.07700	3.0
227.07315	1.1
229.08678	1.8
231.10420	1.5
233.08183	1.4
233.11771	1.6
235.09700	1.0
243.08514	1.3
250.31953	0.8
259.09702	1.4
261.07419	1.3
261.09628	3.9
261.11807	1.8
275.09402	1.0
277.10889	1.7
281.10394	1.3
283.11697	9.1
289.10858	3.4
290.08182	5.0
291.08530	3.4
292.09671	7.9
302.08047	1.2
303.08685	1.6
304.06076	5.2
304.09241	1.3
305.06360	3.2
305.09900	0.8
306.07370	4.2
307.11743	5.3
309.13632	1.1
318.07806	4.9
319.08313	32.5
319.11856	1.5
320.08896	38.6
321.09744	28.1
322.10861	4.4
323.11630	4.7
327.14377	1.8
334.10721	50.3
335.11060	39.8
335.14999	1.2
336.12207	100.0
338.13895	12.0
345.15710	3.3
401.12500	1.2
457.14420	1.5
459.16617	6.9
465.13873	1.8
477.17639	4.6
495.18304	0.9
507.18851	1.1
513.20111	4.2
535.18304	1.1
543.22302	9.7
561.23645	4.3
567.21100	1.8
591.25024	1.5
753.40515	1.1
821.32227	1.1
851.34845	0.9
886.31885	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	0.9
69.03452	3.7
71.05006	0.9
73.02931	1.6
79.05518	1.2
80.86789	0.8
81.03419	7.0
83.04995	1.6
85.02898	5.7
85.06568	5.2
91.05502	4.2
92.21558	1.3
93.07070	1.1
97.02929	4.3
97.06536	1.0
99.04456	42.0
107.04996	4.6
109.02913	1.8
113.06026	1.1
119.04964	8.1
121.06528	1.0
127.03932	3.4
133.06528	1.1
135.04466	3.1
137.06032	1.5
137.57193	0.8
141.05495	1.0
145.02911	5.2
145.04922	0.9
147.04428	11.8
147.08154	0.8
149.06027	4.0
151.07603	1.1
158.06689	1.0
161.06085	4.4
163.03885	15.8
165.05510	1.5
167.07030	13.2
173.05910	1.1
175.03903	34.4
175.07545	1.9
177.01952	3.3
177.05504	9.7
179.07033	6.6
180.07878	3.6
181.05029	4.1
181.08655	3.3
183.08232	0.8
186.34410	0.9
189.05798	1.0
189.07713	0.8
191.03491	4.0
191.07008	7.2
192.07890	0.9
193.04979	1.4
193.08662	4.6
195.06535	5.8
197.08174	3.6
203.07080	1.0
205.04971	27.2
205.06734	1.4
207.06522	65.6
209.04459	11.9
209.08255	3.3
217.08577	1.1
219.06499	1.2
221.08211	1.3
223.06023	27.1
231.10313	0.9
233.08243	1.1
234.09018	1.2
245.08218	1.2
249.07698	1.0
251.09224	1.9
261.11368	0.9
271.11874	1.7
281.10364	5.4
283.11749	21.1
290.07996	8.6
302.08163	1.6
304.06076	6.9
305.10248	1.1
306.07510	0.9
307.08511	1.0
307.11783	1.2
309.13480	1.2
315.11948	1.0
318.07635	11.8
319.08395	48.1
320.09076	10.3
321.09680	1.7
322.10815	13.3
323.11673	1.0
329.62158	1.1
334.10748	100.0
335.11035	7.4
336.12280	12.8
337.16669	1.1
338.13864	3.0
361.13193	1.0
434.30984	0.9
459.16437	14.4
477.17786	3.3
495.18729	4.1
495.51797	0.9
496.09579	0.8
507.19067	3.9
513.19623	9.6
525.20923	0.8
535.11371	1.0
535.17871	6.9
543.21240	1.3
561.23315	10.8
803.31317	1.3
821.32751	3.2
886.32166	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	0.8
68.99794	1.0
69.03439	6.0
71.04969	1.1
73.02906	3.8
78.61115	0.7
81.03433	12.4
83.04986	1.3
85.02900	17.1
85.06530	1.2
91.05476	5.0
93.07052	0.7
95.04981	1.7
97.02895	8.3
97.06517	1.0
99.04457	100.0
103.03963	1.0
103.05434	1.1
107.04976	5.4
109.02872	3.5
110.72114	0.7
111.04465	0.8
117.05511	1.4
119.04935	8.8
121.06504	3.4
123.04425	3.6
125.05967	1.0
127.03886	7.0
131.04936	1.7
133.06503	1.6
135.04398	4.5
137.05965	1.0
139.07553	0.9
145.02885	7.1
145.04930	1.8
145.06514	1.7
147.04431	8.0
149.06003	4.4
151.07536	1.4
153.05452	1.7
153.57164	0.7
155.07068	1.5
157.06546	0.8
161.05980	4.0
163.03896	19.4
163.07568	0.9
165.05420	1.2
167.07014	20.1
171.08057	1.0
173.06009	1.9
175.03911	27.8
175.07478	1.3
177.05457	12.7
178.06210	1.5
179.07033	6.6
180.07808	3.4
181.04988	3.2
181.08534	1.9
182.09412	0.8
183.08128	1.1
185.09625	1.0
187.07524	1.0
190.06290	0.8
191.03435	6.2
191.07008	11.5
192.04146	1.8
192.07820	1.6
193.08606	5.7
194.05672	1.1
195.06534	7.6
197.07947	2.9
199.07574	1.9
199.51904	0.8
201.09084	1.6
205.04951	22.4
205.08612	3.1
206.05534	0.8
207.06528	46.4
209.04408	1.4
209.08110	3.9
210.08829	0.9
213.09027	1.3
219.06490	4.0
219.10138	0.9
221.08105	4.4
223.03815	1.8
223.05998	56.0
225.07587	4.9
229.08569	1.8
231.06506	1.2
231.10208	1.4
233.08014	4.1
233.11760	1.1
243.08679	3.5
245.08049	1.4
247.09674	3.3
249.11336	1.0
251.09120	2.7
257.08212	1.0
259.09702	3.3
261.07388	1.1
261.09732	4.6
271.11826	1.8
273.11261	1.8
275.09265	1.1
277.10605	2.7
281.10168	3.5
283.11792	17.7
287.09195	0.9
289.10614	1.0
290.08102	2.9
291.12234	1.9
295.11823	1.0
307.11722	5.1
309.13608	1.0
319.08594	7.7
320.09134	9.1
321.09833	1.4
323.11542	0.9
327.14465	3.3
334.10678	15.7
335.11163	1.7
336.12164	6.4
345.15546	1.1
369.15701	1.0
374.13641	1.1
385.12701	1.2
401.12408	3.3
457.14969	1.2
459.16455	9.2
465.13589	1.0
477.17722	9.0
489.17725	2.8
495.18610	1.5
507.19073	1.2
513.19574	7.4
535.17346	2.1
543.22156	11.0
561.23175	5.3
567.20062	1.3
821.31500	1.3
851.32990	1.2
886.28595	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
121.90988	2.0
133.06473	2.5
161.05939	7.3
162.65202	2.0
166.06250	12.0
171.07997	2.8
175.03911	2.8
175.07446	3.2
181.08571	53.0
190.06311	13.8
191.07028	1.9
199.07520	24.4
205.08595	43.3
206.09447	2.1
207.06590	3.8
219.48056	2.2
261.09128	2.5
276.11432	2.2
289.08328	2.2
302.66760	2.2
303.10507	2.6
304.10928	12.6
305.08545	3.3
305.11691	22.2
307.13177	3.7
319.08398	11.5
320.09299	9.6
321.11221	30.8
334.10699	25.2
335.12277	10.7
336.13571	54.9
339.15836	2.6
364.08035	18.5
365.08426	15.2
367.15366	100.0
378.55139	2.4
427.17764	12.8
690.19299	2.2
741.49890	2.2
745.04993	2.1
884.36316	2.3
887.28790	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99245	0.9
79.03017	0.9
97.56763	0.9
104.58479	0.9
135.95901	0.9
154.18710	1.1
292.09680	0.9
307.08374	38.0
320.09784	1.4
321.10205	1.4
322.10730	1.3
334.10883	2.3
335.11469	24.5
464.38635	1.1
473.14941	5.4
500.13800	1.5
588.20453	5.9
606.21265	100.0
691.17041	1.2
810.21790	1.1
888.26422	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
98.58549	0.4
119.26102	0.4
137.05026	0.5
137.05977	9.6
290.08057	11.1
302.07986	2.9
304.06021	8.5
318.07611	10.1
319.08374	57.1
320.09113	8.2
320.12665	0.5
321.09631	0.5
334.10712	100.0
336.12253	0.9
410.92111	0.4
608.38281	0.4
853.12543	0.5
888.32214	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44900	0.2
137.05952	0.5
167.06917	0.4
180.03342	0.3
252.19240	0.3
276.06653	0.4
290.08102	9.9
297.56638	0.3
302.08179	2.7
304.06036	8.5
318.03882	0.3
318.07602	12.3
319.08386	54.8
320.09195	2.7
334.10730	100.0
335.10980	0.5
336.12222	1.1
804.90881	0.3
888.32288	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
76.81564	0.2
137.05972	9.6
138.22462	0.2
187.87444	0.2
213.08984	0.2
244.99176	0.2
273.07858	0.3
276.06528	0.3
290.08075	9.4
302.08051	2.7
304.06003	9.4
318.07578	12.4
319.08371	55.8
320.09134	1.8
334.10715	100.0
336.12244	0.3
501.23740	0.2
630.28485	0.2
816.14630	0.3
888.32202	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
77.55587	0.2
90.12698	0.3
105.63425	0.2
147.76569	0.2
166.25253	0.2
171.12518	0.2
276.06436	0.5
280.79996	0.2
290.08099	10.7
302.08139	3.1
304.06030	9.7
308.15271	0.3
318.07608	12.9
319.08377	59.2
320.08966	0.5
334.10715	100.0
338.13577	0.2
541.74017	0.2
888.32190	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28136	0.3
76.89311	0.2
87.18653	0.2
92.20738	0.3
290.08072	9.2
302.08105	2.5
304.06042	9.9
318.07578	13.2
319.08380	57.6
320.09125	3.7
322.11124	0.3
334.10718	100.0
336.12207	0.4
352.15060	0.4
401.28299	0.3
472.02542	0.3
498.07788	0.3
673.12524	0.3
888.32184	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01431	0.3
92.21526	0.4
102.97163	0.3
113.10918	0.2
116.11867	0.3
123.75513	0.3
137.05975	11.5
173.69073	0.3
256.46375	0.3
290.08069	10.8
302.08151	3.5
304.05988	8.1
318.07587	12.1
319.08383	58.4
334.10721	100.0
335.11172	0.3
545.86591	0.4
888.32227	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79784	0.2
73.84868	0.2
79.09114	0.2
85.82020	0.2
107.76785	0.2
122.03642	0.4
134.49422	0.2
137.05980	15.5
141.62976	0.2
145.56268	0.2
149.05940	0.2
188.03459	0.2
213.09041	0.3
270.07892	0.3
273.07947	0.3
290.08090	9.2
292.09610	0.2
302.08124	2.4
304.06012	8.7
314.06589	0.5
318.07626	11.8
319.08389	52.3
320.09192	6.1
321.09659	0.3
334.10727	100.0
336.12241	1.3
372.10223	0.2
494.16098	0.3
586.21045	0.3
888.32245	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
87.90681	2.0
95.08601	2.1
116.75699	1.6
141.59013	1.8
186.48347	1.6
202.46713	1.7
230.70108	1.8
306.07578	20.1
320.09149	3.4
321.09964	16.5
322.07227	14.2
334.06750	1.9
336.05115	2.7
350.06628	18.1
351.07327	39.1
366.09750	100.0
384.10776	49.9
616.53271	1.7
636.31641	29.6
807.46405	2.0
888.51349	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75507	1.4
67.05499	1.7
69.07063	1.8
75.02772	1.7
77.24496	1.8
78.76824	1.6
79.35022	1.7
95.48206	1.7
109.10175	1.7
145.04424	1.7
155.76462	1.9
171.64917	2.0
306.07611	21.6
317.30597	1.9
320.09222	3.1
321.09933	19.8
322.07047	9.8
322.10529	2.6
336.05161	3.2
350.06552	12.5
351.07410	43.6
366.09720	100.0
384.10797	54.0
491.49442	2.1
493.44424	1.9
625.01239	2.2
627.71564	1.9
636.31610	34.1
888.51447	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06100	10.1
66.37292	8.5
67.05482	9.0
67.27467	7.5
81.07039	10.0
93.07043	9.2
95.08601	12.1
96.62944	7.8
99.79182	7.5
104.10713	9.1
104.36987	7.5
144.80133	8.4
337.27469	54.7
459.93817	8.4
460.28296	34.2
478.29294	100.0
560.42059	10.7
565.41718	8.3
642.69568	8.6
775.26453	11.9
901.06604	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03389	0.2
69.07078	1.6
81.07075	0.2
88.97617	0.2
97.06536	0.3
148.40536	0.2
155.06798	0.5
269.13513	3.8
269.98416	0.2
283.11478	1.9
314.89694	0.2
323.14862	0.4
341.15714	0.9
355.13739	0.4
359.30313	0.3
383.20419	6.9
383.25018	0.4
397.18402	2.1
415.19318	2.9
425.21588	1.1
455.22528	5.3
461.23425	0.2
511.25256	2.2
529.26184	10.9
643.32782	3.5
661.34839	0.4
715.35175	0.3
757.39752	1.8
775.40826	2.3
889.47607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93604	0.2
65.78905	0.2
67.41888	0.2
69.32182	0.2
70.45766	0.2
79.94125	0.2
96.30837	0.2
99.04421	0.4
136.17870	0.2
278.08289	0.2
290.08118	8.8
291.08420	0.5
292.09631	1.1
294.07571	0.2
294.11221	0.3
302.08066	2.8
304.06027	8.2
305.06396	0.4
306.07187	0.3
308.09219	0.3
318.07593	11.1
319.08380	52.3
320.09103	18.2
320.12177	0.3
321.09695	3.3
322.10751	1.0
323.11533	1.3
334.10718	100.0
335.11124	6.3
336.12195	10.5
338.13751	1.2
694.26062	0.4
728.24976	0.3
792.16565	0.3
890.32452	59.3
901.72614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61342	0.4
71.41600	0.4
75.01534	0.4
92.21454	0.6
95.08626	0.9
100.39981	0.4
107.08543	0.7
110.34290	0.4
172.62567	0.4
207.06465	0.5
215.10712	0.6
275.10532	0.5
276.06427	0.6
290.08133	8.5
292.09729	1.1
302.08176	2.9
304.06067	7.5
305.06528	0.6
306.07715	0.5
311.20123	0.8
318.07608	9.4
319.08389	50.6
320.09131	30.5
321.09769	3.4
322.10773	0.7
334.10736	100.0
335.11130	5.5
336.12253	14.8
338.13831	1.1
410.65836	0.5
449.27307	0.8
531.29413	2.3
657.32574	4.2
714.45251	0.5
890.32428	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04413	0.6
100.35011	0.3
100.75679	0.4
105.87708	0.4
189.66132	0.4
222.79611	0.4
236.63548	0.4
253.58458	0.4
265.08411	0.4
269.11826	0.5
278.08060	1.6
290.08054	9.3
297.11136	0.5
297.96594	0.4
302.08243	2.6
304.06036	7.7
306.07507	1.8
318.07593	10.8
319.08371	53.4
320.08957	3.5
321.09927	0.7
322.10385	0.6
334.10709	100.0
335.11255	2.0
336.12219	4.1
337.12622	0.5
338.13904	0.4
476.75055	0.4
890.32239	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04413	0.6
100.35011	0.3
100.75679	0.4
105.87708	0.4
189.66132	0.4
222.79611	0.4
236.63548	0.4
253.58458	0.4
265.08411	0.4
269.11826	0.5
278.08060	1.6
290.08054	9.3
297.11136	0.5
297.96594	0.4
302.08243	2.6
304.06036	7.7
306.07507	1.8
318.07593	10.8
319.08371	53.4
320.08957	3.5
321.09927	0.7
322.10385	0.6
334.10709	100.0
335.11255	2.0
336.12219	4.1
337.12622	0.5
338.13904	0.4
476.75055	0.4
890.32239	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15689	0.4
83.10973	0.5
97.86626	0.5
116.88278	0.5
138.03481	0.5
225.81552	0.5
278.08148	1.0
278.51031	0.6
290.08154	2.2
292.09622	6.3
304.06015	1.2
306.07578	4.4
307.08453	0.6
312.33795	0.5
318.07590	0.9
319.08380	9.8
320.09155	14.4
321.09906	20.1
322.10461	1.0
334.10709	20.3
335.11169	4.3
336.12274	100.0
890.33319	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40701	0.1
67.98148	0.1
80.35545	0.2
91.05347	0.1
137.05928	0.4
160.86043	0.1
176.78949	0.2
179.07062	0.2
205.60637	0.2
232.39229	0.2
267.85153	0.2
278.07968	0.3
291.08630	0.3
292.09641	8.8
304.06345	0.2
304.09509	1.1
306.07614	2.7
318.07669	0.2
319.08273	2.0
320.09131	12.3
321.09952	25.1
322.10229	0.3
323.11389	0.2
334.10748	3.1
335.11105	2.4
336.12289	100.0
406.09497	0.2
409.26877	0.2
425.09976	0.2
445.60773	0.2
890.33649	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
100.90907	0.2
135.39388	0.2
137.05951	0.2
278.08087	1.0
290.08047	0.4
291.09061	0.3
292.09662	5.6
294.11362	0.3
304.09650	0.8
306.07645	2.8
306.10901	0.3
307.08368	0.4
308.09329	0.4
308.12894	1.0
318.07593	0.9
319.08353	2.5
320.09155	16.3
321.09937	15.6
322.10550	1.4
323.11569	0.9
324.12210	0.2
334.10767	5.5
335.11362	3.3
336.12296	100.0
337.12918	1.7
338.13904	1.9
350.13834	1.1
362.14066	0.3
450.99835	0.2
472.17462	0.3
482.16119	0.3
484.17398	0.8
486.19598	0.2
488.17258	0.2
496.17365	0.3
500.17313	0.7
501.17862	0.3
514.18707	3.8
516.19836	0.6
528.20563	0.4
842.28070	0.3
890.33710	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
100.90907	0.2
135.39388	0.2
137.05951	0.2
278.08087	1.0
290.08047	0.4
291.09061	0.3
292.09662	5.6
294.11362	0.3
304.09650	0.8
306.07645	2.8
306.10901	0.3
307.08368	0.4
308.09329	0.4
308.12894	1.0
318.07593	0.9
319.08353	2.5
320.09155	16.3
321.09937	15.6
322.10550	1.4
323.11569	0.9
324.12210	0.2
334.10767	5.5
335.11362	3.3
336.12296	100.0
337.12918	1.7
338.13904	1.9
350.13834	1.1
362.14066	0.3
450.99835	0.2
472.17462	0.3
482.16119	0.3
484.17398	0.8
486.19598	0.2
488.17258	0.2
496.17365	0.3
500.17313	0.7
501.17862	0.3
514.18707	3.8
516.19836	0.6
528.20563	0.4
842.28070	0.3
890.33710	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95099	0.2
76.11045	0.2
86.24496	0.3
118.66206	0.3
126.52735	0.3
137.05914	1.7
167.06996	0.4
270.33209	0.3
278.07919	2.1
290.08047	1.4
291.08447	0.5
292.09641	8.0
304.05954	1.3
304.09659	1.2
306.07602	4.0
318.07764	1.3
319.08264	4.3
320.09058	15.4
321.09930	26.8
334.10742	6.5
335.11069	5.0
336.12283	100.0
338.13657	0.5
776.52679	0.3
890.33411	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14317	0.3
64.40632	0.3
70.21286	0.3
84.47809	0.3
125.78440	0.3
137.05931	0.5
187.60260	0.4
218.30049	0.4
278.08130	0.6
290.08112	0.4
291.08762	0.4
292.09692	8.8
304.06082	0.5
304.09747	1.4
306.07544	2.0
318.07568	1.3
319.08389	6.4
320.09125	22.7
321.09918	23.4
322.10526	0.6
323.11658	0.5
334.10669	9.7
335.11090	4.6
336.12292	100.0
337.12891	1.5
338.13849	0.5
358.98911	0.4
890.33630	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69711	1.8
91.05466	2.7
107.04959	10.2
123.04468	3.2
130.63774	1.7
131.04877	2.2
131.08517	1.9
145.06514	3.2
149.06009	9.1
151.07559	2.8
153.05423	2.1
159.08118	8.0
161.05989	10.6
163.03897	2.7
163.07538	2.8
167.05597	3.5
167.07031	100.0
173.06049	7.0
177.05489	11.5
179.07054	7.8
181.04945	12.4
181.08562	10.0
183.06520	18.4
187.07556	12.6
191.07066	11.3
193.08618	15.6
204.08060	1.9
205.08629	9.4
207.06635	2.7
209.08069	15.1
211.07491	2.5
217.08670	7.6
219.10173	9.3
223.09566	4.0
230.38301	2.8
231.10114	4.2
249.09071	3.8
249.11211	23.5
261.09186	3.0
286.71411	2.4
291.12601	3.2
318.07803	2.6
319.08234	2.7
320.09140	25.9
321.09799	12.6
334.10764	16.8
336.12238	18.4
343.15524	4.6
361.16476	13.2
371.14941	9.1
385.12543	20.8
385.16068	4.4
385.16934	4.3
387.14398	2.3
389.15894	35.0
403.17584	3.4
419.17062	15.1
421.18634	4.1
473.17850	2.4
597.23260	9.3
890.32983	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06092	12.0
67.05508	1.6
67.98455	0.6
69.07076	1.5
71.08627	9.5
74.20434	0.6
81.07053	4.0
83.08618	3.4
85.10168	6.5
89.06081	0.8
92.20908	0.9
94.22842	0.8
95.08626	8.1
97.10160	2.9
98.98483	1.8
109.10161	4.3
123.11646	1.3
125.62691	0.8
155.01105	5.7
163.29047	0.8
193.00562	0.8
239.23743	1.7
282.27969	10.8
313.27365	90.1
320.09262	1.5
381.16284	0.8
393.23624	0.9
436.28235	28.2
454.29272	100.0
634.68011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24320	0.1
92.21585	0.1
93.19686	0.1
112.79103	0.1
115.10773	0.1
134.02864	0.1
156.95352	0.1
235.53778	0.1
250.53839	0.1
290.08090	0.5
291.44562	0.1
292.09683	2.7
297.28445	0.1
308.09103	0.6
314.47412	0.1
318.07620	0.6
319.08191	0.6
320.09164	100.0
334.10828	1.0
336.12393	0.1
338.13776	0.2
665.49121	0.1
737.84576	0.2
892.31641	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78642	0.8
79.05473	1.1
79.62968	0.7
88.42650	1.0
91.05487	1.5
105.07039	2.1
107.04957	12.3
121.06470	3.6
123.04411	3.9
126.10040	0.9
131.04924	4.2
131.08586	1.3
133.06476	4.8
135.04430	1.1
137.06009	1.9
145.06503	4.0
149.05980	4.2
151.07558	5.3
152.08330	1.4
153.05452	3.7
159.08049	2.2
161.05942	11.3
163.03903	12.0
163.07539	4.4
167.07031	100.0
170.74173	1.0
173.05972	7.3
177.05429	1.5
177.09091	1.5
179.07002	3.7
181.05008	1.7
181.08533	7.4
183.06601	7.8
187.07529	4.6
189.09093	3.6
191.07011	8.8
193.08604	16.3
203.10588	1.4
205.08548	6.4
207.06413	2.0
209.08063	1.5
217.08632	6.6
217.12170	1.1
219.08241	1.6
219.10223	4.8
221.09764	1.2
221.11682	1.1
223.09660	4.0
231.10196	1.8
237.09096	3.3
249.08989	4.5
249.11247	7.6
251.10741	1.1
253.12071	1.2
261.09094	1.8
264.07962	1.5
265.08606	3.5
277.08539	2.2
278.09219	1.2
279.10052	1.1
281.11560	1.4
293.07886	1.1
297.11349	3.4
308.10464	1.5
309.11133	4.5
311.09360	1.3
311.12677	2.2
320.09180	17.0
321.10318	1.0
323.12378	1.3
325.10815	3.7
330.10962	1.4
334.10718	2.1
334.82541	1.0
337.10721	4.1
338.13882	1.9
339.12408	1.6
343.15250	4.6
357.13226	7.6
361.16541	8.4
369.13474	11.6
370.13550	1.1
371.14838	8.4
383.14789	1.8
385.16379	4.9
387.14230	17.0
387.18451	1.2
389.15839	21.3
399.14413	4.9
401.16006	1.8
403.17383	7.0
405.19199	6.6
419.16888	9.8
421.18542	7.3
427.17633	1.7
447.19727	1.0
599.24847	8.3
704.20776	1.1
892.29926	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32993	2.4
67.51175	2.3
80.35000	3.1
92.20931	3.5
92.48275	2.8
107.04963	6.7
110.36307	2.5
145.40764	3.0
151.07532	6.0
153.05505	2.7
161.06041	4.1
167.07002	58.0
173.06155	3.8
191.07079	3.7
193.08611	10.5
231.15044	2.9
249.11192	5.4
320.09180	100.0
338.13882	4.3
369.13361	6.8
385.16678	4.0
389.15814	11.5
405.19379	3.5
410.74222	3.4
892.31207	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
88.08107	0.2
102.06866	0.2
114.30629	0.2
130.64337	0.2
273.07681	0.2
276.06491	0.4
290.08090	10.7
291.08481	0.2
302.08041	3.2
303.08817	0.2
304.06042	9.7
304.09555	0.4
318.07599	12.8
319.08386	59.2
320.08850	1.3
321.09448	0.3
334.10730	100.0
335.11115	2.3
336.12155	0.9
337.12491	0.4
338.13800	0.2
641.83466	0.2
893.27332	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
88.08107	0.2
102.06866	0.2
114.30629	0.2
130.64337	0.2
273.07681	0.2
276.06491	0.4
290.08090	10.7
291.08481	0.2
302.08041	3.2
303.08817	0.2
304.06042	9.7
304.09555	0.4
318.07599	12.8
319.08386	59.2
320.08850	1.3
321.09448	0.3
334.10730	100.0
335.11115	2.3
336.12155	0.9
337.12491	0.4
338.13800	0.2
641.83466	0.2
893.27332	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30259	0.2
71.80145	0.3
86.01196	0.3
89.85918	0.3
98.88401	0.3
100.48499	0.3
137.05959	0.6
178.70799	0.3
197.27147	0.3
249.27419	0.3
260.53821	0.3
290.08102	11.4
302.08170	2.8
304.02747	0.5
304.06027	10.6
318.03894	0.3
318.07605	14.2
319.08389	60.8
320.09116	1.6
334.10724	100.0
336.12250	1.6
520.21710	0.3
896.27527	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98623	0.2
65.59915	0.3
103.75517	0.3
131.04828	0.4
163.54706	0.3
167.07071	0.3
255.77008	0.3
276.06192	0.4
290.08105	11.8
299.88367	0.3
302.08203	3.5
304.06015	9.0
318.07596	13.2
319.08392	60.8
320.09055	2.3
321.10004	0.3
328.60568	0.3
334.10733	100.0
336.12286	1.4
528.31586	0.3
896.27472	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
97.21542	0.2
159.47603	0.2
160.41435	0.2
182.66710	0.2
276.06445	0.4
290.08109	8.6
302.08087	2.6
304.06027	8.1
318.07596	11.3
319.08389	52.2
320.09293	0.2
334.10724	100.0
336.12231	0.2
339.05124	0.2
358.98352	0.2
896.31219	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
81.36037	0.3
92.21470	0.5
159.91081	0.4
290.08087	10.3
302.08115	2.9
304.06070	8.7
318.07590	13.1
319.08383	55.7
334.10721	100.0
423.70975	0.3
489.71112	0.4
523.04962	0.3
896.31195	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
76.11539	0.3
90.05489	0.3
91.77808	0.3
92.21580	0.3
103.65260	0.2
109.40167	0.2
163.07628	0.3
177.05397	0.3
197.06897	0.3
273.07819	0.3
290.08093	8.3
302.08023	2.5
303.08939	0.4
304.06049	7.7
304.09546	0.4
307.08231	0.3
318.07587	10.9
319.08386	51.1
320.09180	1.8
334.10730	100.0
336.12213	0.6
434.23282	0.3
439.85800	0.4
444.35962	0.3
896.31110	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28773	0.3
66.19250	0.3
69.82926	0.3
71.32298	0.3
81.75979	0.3
96.64543	0.3
97.91454	0.3
125.31756	0.3
125.85205	0.4
127.11219	0.3
137.05789	0.4
151.89946	0.3
177.02419	0.3
189.35760	0.3
191.85133	0.3
222.40569	0.4
290.08102	9.8
302.08069	3.2
304.06039	8.8
318.07596	11.9
319.08377	57.2
334.10730	100.0
469.38614	0.4
878.31268	0.4
896.31152	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
92.80136	0.3
106.78671	0.3
123.96602	0.3
137.05945	1.2
162.08414	0.3
169.51463	0.3
191.62790	0.3
220.89336	0.3
230.26692	0.3
254.25290	0.3
285.03302	0.3
290.08087	8.5
302.08032	2.4
304.06012	8.3
318.07623	11.4
319.08389	50.9
320.09216	1.1
321.09644	0.3
334.10724	100.0
336.12042	1.0
390.13058	0.3
440.95029	0.4
456.19263	0.3
478.35001	0.3
534.21265	0.4
634.03564	0.3
896.31000	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.312
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99835	0.2
97.19778	0.2
103.12662	0.2
108.87741	0.2
139.80193	0.2
142.94753	0.2
290.08109	10.9
302.08163	3.6
304.06055	8.4
318.07602	11.9
319.08395	54.7
320.08987	1.1
321.09689	0.3
334.10733	100.0
335.10968	0.4
336.12088	1.6
457.58057	0.2
687.97485	0.2
878.30280	0.3
896.31219	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46609	0.2
209.84244	0.2
277.07343	0.2
290.08060	0.3
292.09689	3.1
318.07620	0.9
319.08313	1.8
320.09171	100.0
334.10568	2.8
336.12387	0.4
438.26648	0.3
801.23962	0.3
896.30756	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
76.11539	0.3
90.05489	0.3
91.77808	0.3
92.21580	0.3
103.65260	0.2
109.40167	0.2
163.07628	0.3
177.05397	0.3
197.06897	0.3
273.07819	0.3
290.08093	8.3
302.08023	2.5
303.08939	0.4
304.06049	7.7
304.09546	0.4
307.08231	0.3
318.07587	10.9
319.08386	51.1
320.09180	1.8
334.10730	100.0
336.12213	0.6
434.23282	0.3
439.85800	0.4
444.35962	0.3
896.31110	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03432	0.4
66.67051	0.5
69.64171	0.5
70.99287	0.5
83.35320	0.5
83.35905	0.4
92.21609	1.0
92.60070	0.6
127.03950	1.0
181.08565	0.8
184.07434	1.1
219.50412	0.6
274.36612	0.6
290.08105	8.4
292.09821	3.6
302.08310	0.8
304.06070	4.5
318.07471	7.2
319.08383	36.9
320.09161	100.0
334.10724	67.3
335.11029	1.3
367.15036	0.7
507.04391	0.6
837.63654	0.6
896.31219	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03432	0.4
66.67051	0.5
69.64171	0.5
70.99287	0.5
83.35320	0.5
83.35905	0.4
92.21609	1.0
92.60070	0.6
127.03950	1.0
181.08565	0.8
184.07434	1.1
219.50412	0.6
274.36612	0.6
290.08105	8.4
292.09821	3.6
302.08310	0.8
304.06070	4.5
318.07471	7.2
319.08383	36.9
320.09161	100.0
334.10724	67.3
335.11029	1.3
367.15036	0.7
507.04391	0.6
837.63654	0.6
896.31219	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28679	0.2
121.92249	0.3
132.13171	0.3
172.03781	0.3
175.03749	0.4
201.05391	0.3
207.06523	1.1
261.43304	0.3
276.06384	0.6
290.08066	6.0
291.61203	0.4
302.08041	1.5
304.06058	5.8
305.06412	0.3
318.07584	8.3
319.08368	41.7
320.08981	2.3
334.10721	100.0
335.11017	1.9
336.12241	3.7
337.12778	1.1
896.33252	22.1
922.24976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.4
70.90607	1.4
91.05479	6.7
92.57722	1.5
95.04925	2.4
97.02893	63.9
107.04974	1.9
117.03356	1.6
119.04932	5.7
121.06501	13.1
123.04495	2.2
123.71892	1.6
131.04939	1.3
133.06427	2.1
145.02827	6.3
147.04427	11.0
149.02380	4.5
149.06023	2.8
153.05519	2.1
155.07034	9.0
163.03860	5.8
166.06236	1.9
167.03436	12.9
167.07047	17.1
171.04364	2.5
173.05823	1.7
175.03891	41.0
175.07478	2.4
176.41383	1.4
177.05446	21.9
178.06233	10.3
181.04915	7.5
181.08586	17.6
187.07495	2.8
189.05478	20.2
191.07042	8.4
192.07787	2.2
193.08713	2.6
194.09364	5.9
195.06447	5.7
195.10141	2.4
196.10875	2.8
197.05833	2.0
203.06958	1.7
205.04953	100.0
205.08571	2.8
206.09471	3.0
207.06525	79.4
207.09967	3.4
209.07999	12.9
215.06917	2.6
217.08534	1.8
218.05957	1.7
219.06424	11.6
219.10175	3.2
221.08028	3.4
223.06041	17.9
224.10400	10.0
229.08609	2.0
231.10365	1.8
234.08620	2.8
235.09123	1.8
241.08405	1.8
242.09225	2.7
247.09581	2.4
251.09167	3.3
257.08038	5.6
258.08743	2.8
261.07297	5.4
261.11526	1.8
263.09268	1.8
269.08002	2.4
275.09058	6.0
276.06528	2.8
283.09592	9.2
289.10852	10.7
290.08130	6.4
291.08514	1.8
297.11221	9.5
301.10724	9.3
303.08722	7.8
304.05939	6.0
309.07355	2.1
315.12265	6.5
318.07562	9.9
319.08319	31.9
320.08939	14.8
321.09610	24.4
325.10580	3.2
334.10724	57.9
335.11063	8.1
336.12418	18.5
339.10706	7.6
341.10233	2.9
343.11841	14.5
353.09698	2.8
354.10574	3.6
355.10773	3.6
367.11469	2.3
397.12692	6.3
399.14398	22.1
411.14258	3.4
429.15231	7.8
439.13919	6.4
475.15991	13.4
499.14389	5.7
513.17499	6.5
531.18652	14.8
552.62378	2.1
591.20599	2.2
723.24518	6.3
777.72015	1.7
896.34174	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56892	0.5
66.10846	0.5
69.03429	100.0
75.01854	0.5
80.62224	0.5
87.04465	7.1
105.05565	0.7
142.72647	0.5
146.88402	0.5
155.07018	17.6
157.09338	0.7
173.07988	0.9
241.10770	5.4
248.56189	0.6
259.11777	4.0
327.14096	3.9
336.12115	1.1
345.15353	8.8
363.16391	1.4
413.18311	1.0
413.25256	0.6
431.19040	7.2
449.20200	1.1
499.21555	0.8
517.22772	6.5
531.10400	0.6
535.24048	1.0
585.25293	0.7
603.26593	1.1
896.40503	2.5
911.80212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75248	0.9
71.12355	0.9
114.20108	0.9
121.06482	0.9
123.99493	0.9
131.15878	0.9
163.69716	0.9
189.05219	64.3
190.06061	2.2
203.06970	1.1
205.04736	15.8
207.06218	1.4
219.06425	4.5
249.14471	1.2
251.13795	1.1
254.34770	1.0
307.69055	1.0
320.09097	1.2
416.14801	1.2
428.14801	1.2
429.15872	1.7
439.17780	1.4
443.17163	1.3
444.17587	2.1
454.22958	1.2
457.18289	31.3
457.24460	1.1
471.20166	5.8
473.18195	3.8
487.19986	1.8
548.27393	1.1
554.39777	1.0
655.24011	3.2
897.35272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85966	0.6
78.76814	0.7
120.67653	0.7
134.12560	0.7
137.06003	1.1
163.48453	0.7
184.78720	0.7
290.08063	7.7
292.09677	3.8
299.93561	0.7
302.08118	0.9
304.06000	9.9
318.07584	13.0
319.08386	56.8
320.09167	40.4
321.09918	8.9
334.10721	100.0
335.11047	3.9
336.12283	42.9
368.67984	0.7
898.29028	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
86.67487	0.2
99.04356	0.3
101.36182	0.2
104.93839	0.3
110.96363	0.2
161.17609	0.2
188.28838	0.2
206.01244	0.3
241.91933	0.3
276.06366	0.3
290.08063	9.1
292.09531	0.5
302.08035	2.5
303.08804	0.4
304.06058	8.4
304.09528	0.3
318.07599	12.7
319.08389	53.7
320.09143	15.9
321.09833	0.5
334.10727	100.0
335.11041	1.6
336.12256	9.3
393.15219	0.3
792.08569	0.3
844.36688	0.3
898.29126	45.3
922.28455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08949	0.3
76.71638	0.4
92.42072	0.4
107.21151	0.4
107.22111	0.4
107.39412	0.4
174.00626	0.4
242.76099	0.4
246.51390	0.4
276.06635	0.6
290.08118	10.2
291.08514	0.5
292.09616	4.9
302.08032	2.9
304.06030	8.1
304.09235	0.7
305.06503	0.7
318.07581	14.8
319.08371	57.9
320.09137	82.8
321.09702	5.4
322.10657	0.9
323.11484	0.6
334.10718	100.0
335.11047	8.4
336.12241	25.1
338.13678	2.4
450.82828	0.5
784.64020	0.5
898.29388	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95987	0.2
88.22388	0.3
108.32244	0.2
108.36629	0.3
109.11217	0.3
137.05942	0.4
167.06995	0.4
191.66769	0.3
258.51172	0.3
290.08060	3.4
291.09015	0.4
292.09576	3.6
302.08069	0.5
304.06021	3.2
318.07596	4.5
319.08383	17.9
320.09146	100.0
321.09814	1.9
334.10709	35.3
335.11075	1.7
336.12213	10.6
376.11450	0.5
417.15353	0.3
635.13739	0.4
898.30615	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83189	0.3
71.20238	0.3
71.27855	0.2
72.13470	0.3
76.55182	0.3
77.87243	0.3
79.49467	0.3
81.47477	0.3
85.02866	0.3
87.90920	0.3
97.02859	0.4
97.13335	0.3
100.44469	0.3
137.05957	0.7
183.28345	0.3
207.06419	0.4
276.06317	0.3
277.07452	0.3
290.08063	11.0
291.08456	0.7
292.09616	3.5
294.10995	0.3
302.08127	2.4
304.06018	10.8
304.09137	0.6
305.06250	0.5
306.07568	0.5
318.07584	14.4
319.08368	59.4
320.09134	91.9
321.09668	4.0
322.10626	0.7
323.11508	0.6
334.10709	100.0
335.07275	0.4
335.11057	8.4
336.12216	22.9
338.13684	1.7
350.10162	0.4
898.29022	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60815	0.7
78.49100	0.8
92.21557	0.8
136.73526	0.8
166.36960	0.8
290.08072	8.8
292.09802	5.3
304.06015	8.2
306.07800	1.8
318.07654	12.1
319.08374	52.4
320.09113	11.6
321.09918	16.7
334.10733	100.0
335.11090	5.6
336.12277	72.7
337.12665	0.9
400.69772	0.9
410.95221	0.8
593.74054	0.9
786.95801	0.9
898.32861	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
92.37678	0.2
143.12410	0.1
185.70117	0.2
189.40501	0.2
219.43906	0.2
276.06659	0.5
290.08105	9.3
302.08148	2.2
303.09085	0.2
304.06049	8.7
318.03793	0.3
318.07602	11.0
319.08392	54.9
320.09055	1.7
322.10815	0.4
334.10730	100.0
336.12274	0.3
372.12570	0.3
564.79816	0.2
898.32758	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
179.61014	0.2
268.59039	0.3
290.08096	8.2
293.19446	0.2
302.08066	3.1
304.05981	8.8
318.07578	13.2
319.08374	52.5
334.10709	100.0
369.09674	0.3
427.72366	0.3
578.19934	0.3
898.32709	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.327
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34667	0.3
87.28815	0.3
90.31386	0.3
92.20938	0.6
98.45824	0.3
120.70203	0.3
133.35432	0.3
134.29977	0.3
138.64899	0.3
146.13934	0.3
150.29945	0.3
159.21136	0.3
161.12825	0.3
185.66713	0.3
235.83913	0.3
276.06479	0.4
290.04993	0.5
290.08060	9.1
291.08490	0.7
292.09506	2.1
302.08130	2.6
304.06000	8.7
304.09372	0.6
305.06473	0.6
306.07217	0.5
318.07599	11.8
319.08374	55.4
320.08835	8.1
321.09857	6.7
334.10715	100.0
335.11063	8.3
336.12234	24.8
453.49646	0.4
469.10928	0.3
562.63611	0.3
898.32477	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72944	0.2
67.93591	0.3
82.17360	0.3
88.09121	0.3
92.89557	0.3
137.92719	0.3
154.64429	0.3
173.86977	0.3
201.83511	0.3
219.50484	0.3
276.06360	0.4
290.08118	9.5
302.08017	3.0
304.06042	9.2
304.09518	0.4
305.06570	0.3
309.88742	0.3
318.07632	12.2
319.08374	51.0
320.09082	1.6
334.10718	100.0
335.11093	1.0
336.12155	1.4
338.13727	0.4
467.99603	0.3
898.32788	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
72.48965	0.3
76.63187	0.4
78.95616	0.4
110.94371	0.3
192.87715	0.4
202.25410	0.4
210.91600	0.4
290.08112	11.4
302.08118	2.5
304.06049	8.7
318.07526	12.1
319.08377	58.0
320.08972	1.7
334.10715	100.0
335.11111	1.5
336.12073	2.2
898.32794	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
73.78488	0.2
78.81449	0.2
111.10864	0.2
117.95583	0.2
123.63400	0.2
248.42894	0.2
276.06522	0.4
286.19415	0.2
290.08102	9.5
292.09564	0.3
300.71259	0.2
302.08133	2.7
304.06015	8.3
318.03882	0.4
318.07593	12.5
319.08389	54.7
320.09048	3.7
321.09509	1.4
334.10727	100.0
335.11038	2.4
336.12213	4.9
348.78720	0.2
898.32306	52.2
923.15491	0.2
925.86584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47017	0.3
69.22012	0.3
118.62437	0.4
142.70285	0.3
207.34917	0.4
273.07785	0.4
290.08096	9.9
302.08167	2.9
303.08508	0.4
304.05997	8.7
305.06412	0.3
318.07596	11.9
318.11127	0.5
319.08371	56.6
320.08862	5.1
321.09415	1.3
334.10715	100.0
335.11105	4.9
336.11975	4.2
524.23096	0.3
608.04144	0.3
898.32623	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37724	0.3
91.92410	0.3
111.51331	0.3
195.00996	0.3
203.68504	0.3
210.82599	0.3
292.09695	2.6
303.30844	0.3
308.12827	1.2
318.07553	0.5
319.08325	3.9
320.09088	10.9
321.09872	7.7
322.10770	0.5
334.10727	5.6
335.11050	3.0
336.12274	100.0
397.84512	0.3
515.55347	0.3
898.32648	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
75.24023	0.2
75.51515	0.2
97.90469	0.3
98.16225	0.3
101.74693	0.3
116.64211	0.3
125.73396	0.3
146.77905	0.3
155.54935	0.3
290.08124	9.0
291.08542	0.4
302.08145	3.2
303.08514	0.4
304.06058	8.4
304.09360	0.6
305.06314	0.7
318.07599	12.2
319.08368	56.0
320.08868	12.5
321.09030	3.9
322.10410	0.5
326.78665	0.3
334.10721	100.0
335.11047	15.4
336.12170	25.3
898.32349	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.0
69.07064	2.6
70.19635	1.9
71.08630	11.3
73.44225	1.8
73.70493	1.8
81.07067	11.9
83.04962	2.9
83.08625	3.6
85.02922	2.6
85.10178	8.5
87.52184	1.9
91.03957	4.5
95.08603	11.1
97.06535	2.4
97.10173	3.6
107.08610	3.0
109.10171	15.1
111.04440	40.0
111.08059	3.5
119.48997	1.9
121.10118	4.3
131.08539	2.7
135.11681	10.4
145.10123	9.0
147.11636	3.1
149.09619	8.1
153.12744	21.5
163.11176	42.4
173.09633	10.8
174.03519	2.1
181.12224	56.2
191.10654	42.8
209.11775	10.8
227.12781	33.2
277.20523	2.2
283.15390	69.8
283.18341	4.0
301.16458	32.3
313.27359	45.2
320.09235	13.4
361.11798	2.1
539.39410	100.0
673.72766	2.7
898.44659	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.7
69.07082	2.3
71.08633	11.5
71.17986	1.4
74.48525	1.2
80.43540	1.4
81.07077	8.7
81.30724	1.3
83.05009	8.3
83.08633	3.0
85.02921	3.1
85.10189	6.2
85.61320	1.4
91.03951	2.3
93.07081	3.4
95.08598	10.7
97.10185	2.6
98.62725	1.4
107.08617	3.0
109.10168	15.0
111.04447	32.1
111.08095	6.5
119.08607	3.3
121.10149	6.5
123.11723	1.7
131.08598	2.7
135.11731	6.7
136.90044	1.5
145.10147	5.7
149.09636	7.2
153.12769	24.7
163.11189	43.7
173.09669	7.6
181.12230	55.4
181.13739	2.3
191.10675	38.1
209.09914	1.8
209.11761	8.9
227.12788	30.0
278.80319	1.6
283.15387	68.7
301.16467	36.4
313.27353	40.6
320.09250	7.8
484.28159	1.9
539.39441	100.0
557.40222	3.0
848.45819	1.7
898.45984	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
82.37382	0.1
82.96706	0.1
93.46869	0.1
152.20941	0.1
155.55284	0.1
190.06465	0.1
276.06458	0.5
289.21112	0.1
290.07993	2.1
302.08002	0.8
304.05988	1.8
304.09290	0.2
318.07535	2.5
319.08380	20.9
320.08820	0.6
334.10715	100.0
335.10983	0.8
336.12317	0.2
352.15277	0.1
404.14813	0.7
405.84180	0.1
450.15457	48.1
511.85147	0.1
576.92590	0.1
585.21124	0.1
661.49030	0.1
727.00140	0.2
782.90863	0.1
807.29242	0.1
899.27228	0.8
910.71118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.27
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24751	0.2
191.76595	0.2
272.03696	0.3
290.08102	10.9
296.12064	0.2
302.08072	3.0
303.08859	0.4
304.02731	0.5
304.06042	9.4
304.09521	0.4
305.06305	0.2
318.07608	13.0
319.08392	56.5
320.09109	1.1
334.10730	100.0
335.11203	0.3
475.16669	0.2
512.36432	0.3
900.27100	41.7
901.59985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.98055	0.3
74.04728	0.3
97.12656	0.3
100.65475	0.3
166.81978	0.4
174.05472	0.8
207.06476	0.6
224.66014	0.4
278.66156	0.4
290.08160	5.6
302.08078	1.6
304.05963	4.5
318.07617	6.7
319.08371	35.2
320.09015	1.8
322.10303	0.5
323.11334	0.5
334.10715	100.0
335.11081	0.4
336.12100	2.4
367.11716	0.9
386.10257	3.1
388.07971	0.5
404.11444	0.5
464.11099	0.4
512.16858	0.8
540.16516	1.8
702.22058	1.4
880.50879	0.4
900.27032	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04173	0.1
88.78873	0.2
107.25616	0.2
111.93968	0.2
132.24512	0.2
190.06421	0.2
222.36128	0.2
273.07800	0.2
276.06628	0.9
289.07355	0.2
290.08109	11.2
302.08130	3.0
303.08960	0.3
304.06027	9.6
318.03830	0.3
318.07611	11.9
319.08386	53.0
320.08765	0.3
334.10724	100.0
336.12488	0.6
338.13861	0.6
356.61270	0.2
900.27240	42.1
921.32587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20345	0.2
80.57460	0.2
137.01656	0.3
171.90659	0.2
172.46643	0.3
207.06525	0.2
276.06500	0.5
290.04996	0.4
290.08102	10.1
291.08600	0.3
302.08093	3.1
304.06012	7.8
318.03857	0.3
318.07614	13.4
319.08386	53.1
320.08948	0.3
334.10730	100.0
900.27191	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18108	0.3
68.13888	0.3
78.88087	0.3
88.95336	0.3
99.04469	2.7
113.42794	0.3
143.78993	0.3
163.05312	0.3
167.06998	1.3
175.03896	1.2
177.05450	1.3
179.14705	0.3
189.05676	0.4
190.06471	0.5
191.06989	0.4
193.04924	0.5
205.04955	4.2
207.06491	1.9
223.05994	0.7
256.11667	0.4
276.06479	1.7
290.08118	11.0
297.09714	1.8
302.08063	3.7
304.06030	9.2
307.11688	0.4
318.07571	12.8
318.11102	0.6
319.08383	55.1
320.08990	1.4
322.10788	0.5
334.10718	100.0
335.10928	1.2
336.12241	2.1
338.14014	1.3
350.10312	0.6
473.14731	0.5
580.03949	0.4
635.49048	0.5
900.27130	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20914	0.6
134.05458	0.3
163.05293	0.3
184.71996	0.3
190.06438	0.6
202.06435	0.5
255.53821	0.3
273.07608	0.3
276.06628	2.5
290.08063	11.4
302.08151	3.0
304.06036	10.1
304.09543	0.4
308.13043	0.3
318.07578	13.8
318.11115	0.6
319.08389	54.4
320.08698	0.4
334.10730	100.0
437.11469	0.3
900.27155	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72169	0.1
82.90907	0.1
85.01300	0.1
89.36416	0.1
109.43620	0.2
173.50626	0.1
183.40102	0.2
216.53003	0.2
256.12888	0.2
276.06418	0.9
290.08075	10.9
302.08057	3.0
303.08899	0.6
304.06003	10.2
304.09549	0.2
305.06882	0.2
315.08755	0.2
318.07568	13.2
319.08365	57.2
320.09021	1.9
334.10703	100.0
335.10776	0.2
386.10172	0.8
404.11526	0.2
581.05920	0.2
695.68311	0.2
742.57184	0.2
900.27002	39.9
933.59778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23202	0.2
69.37606	0.1
73.73504	0.1
157.62454	0.1
176.02499	0.2
276.06757	0.2
290.08090	9.2
302.08084	3.6
304.06009	8.5
318.03796	0.3
318.07587	11.9
319.08377	53.2
320.09146	0.7
334.10712	100.0
336.12280	3.6
371.09006	0.2
411.97656	0.2
900.27203	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04436	0.2
190.06343	0.2
205.04932	0.4
207.06465	0.3
211.02403	0.2
276.06476	0.8
290.08093	10.7
292.09576	0.3
294.11163	0.2
302.08060	3.5
303.08713	0.2
304.06033	10.4
304.09515	0.4
308.09167	0.3
316.06329	0.2
318.03824	0.5
318.07574	13.2
319.08377	56.9
320.09088	5.6
321.09756	1.1
322.10712	1.8
334.10718	100.0
335.11124	1.2
336.12283	9.6
337.12640	0.7
338.13614	1.7
399.09006	0.2
624.86163	0.2
900.27826	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66833	0.2
96.50146	0.3
100.85278	0.3
159.73573	0.3
173.64302	0.3
256.89078	0.3
290.08081	8.9
292.09583	0.4
302.08133	2.0
304.05957	8.1
304.09106	0.5
318.07608	11.8
319.08371	53.3
320.09171	0.6
321.09933	1.7
334.10709	100.0
335.11163	0.6
336.12274	7.2
337.12589	0.6
338.13367	0.3
396.06726	0.4
408.92102	0.3
418.04083	0.3
900.31360	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20998	0.4
93.03735	0.2
94.06107	0.2
106.90680	0.3
138.04362	0.3
155.23116	0.3
164.04700	0.2
206.88371	0.3
285.07263	0.3
290.08078	9.3
292.09604	0.6
302.08069	3.0
304.06018	8.8
304.09470	0.3
318.07587	11.5
319.08383	56.4
320.09097	1.4
321.09921	2.9
334.10712	100.0
335.10999	1.1
336.12262	10.2
337.12567	1.6
338.13397	0.3
374.29645	0.3
500.32428	0.3
506.53571	0.3
603.92242	0.3
617.85120	0.3
770.14880	0.3
900.30676	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67169	0.2
79.01001	0.2
96.29498	0.2
146.49829	0.2
152.45505	0.2
158.11618	0.2
162.12532	0.2
185.74893	0.2
189.05681	0.2
190.06374	0.3
210.77133	0.2
219.06993	0.2
273.07712	0.3
276.06421	1.6
278.08215	0.2
284.46622	0.2
290.08096	9.6
290.11249	0.3
302.08069	3.1
304.06003	8.9
318.07587	11.9
319.08362	52.6
320.08963	1.3
323.11377	0.3
334.10699	100.0
335.11050	0.4
336.12173	1.1
338.13840	1.8
444.22006	0.3
512.92004	0.3
684.67358	0.3
716.59656	0.3
776.72791	0.3
900.29346	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92435	0.3
75.01465	0.3
85.58489	0.3
100.78212	0.4
215.98569	0.3
276.06757	0.5
290.08096	10.6
302.07950	3.3
304.06082	9.6
315.61664	0.5
318.07614	13.6
319.08392	58.2
320.09000	2.0
321.09479	0.5
322.10782	0.5
329.11716	0.4
334.10739	100.0
335.11047	1.9
336.12143	2.4
337.12994	0.6
386.10110	0.4
900.30664	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20998	0.4
93.03735	0.2
94.06107	0.2
106.90680	0.3
138.04362	0.3
155.23116	0.3
164.04700	0.2
206.88371	0.3
285.07263	0.3
290.08078	9.3
292.09604	0.6
302.08069	3.0
304.06018	8.8
304.09470	0.3
318.07587	11.5
319.08383	56.4
320.09097	1.4
321.09921	2.9
334.10712	100.0
335.10999	1.1
336.12262	10.2
337.12567	1.6
338.13397	0.3
374.29645	0.3
500.32428	0.3
506.53571	0.3
603.92242	0.3
617.85120	0.3
770.14880	0.3
900.30676	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78714	0.2
80.44248	0.1
91.42697	0.1
107.82260	0.1
123.86903	0.1
174.05457	0.3
276.06445	0.3
290.08099	8.1
292.09763	0.2
293.10086	0.2
302.08075	2.1
303.08981	0.2
304.06061	7.7
304.09332	0.4
305.29318	0.2
306.07367	0.3
308.09113	0.2
316.06100	0.1
318.07602	10.7
319.08389	51.3
320.09100	3.9
321.09589	0.7
322.10361	0.7
323.11325	0.2
333.09595	0.2
334.10721	100.0
335.11160	0.9
336.12283	4.2
337.08951	0.3
337.12488	1.7
338.13232	1.4
343.08264	0.2
350.10168	0.2
358.10709	0.2
367.11710	0.2
371.07861	0.2
375.07443	0.2
386.10110	1.7
388.08670	0.2
404.11444	0.8
445.77341	0.2
510.11844	0.2
512.17401	0.2
540.16431	0.8
560.28662	0.2
900.29034	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78945	0.5
77.94581	0.6
116.16186	0.7
173.87498	0.6
193.42915	0.6
290.08130	10.8
292.09787	1.5
302.08212	2.7
304.06067	7.0
318.07629	12.9
319.08386	56.0
320.09161	17.5
321.09927	2.6
334.10730	100.0
335.11310	1.1
336.12253	6.8
900.30676	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09354	0.2
77.07420	0.2
90.91959	0.3
110.60963	0.3
124.79464	0.3
182.14388	0.3
201.05713	0.4
214.06348	0.3
218.06058	0.3
273.07861	0.4
276.06448	1.8
290.08078	9.9
296.24710	0.3
302.08081	3.0
304.06015	8.7
305.06537	0.4
316.06146	0.4
318.03900	0.5
318.07596	13.9
319.08371	52.8
320.08871	5.0
321.09451	1.9
322.10281	1.0
334.10715	100.0
335.11020	3.8
336.12115	4.5
337.12634	2.4
338.13171	1.1
900.30505	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
80.63107	0.1
82.01134	0.2
104.78396	0.2
213.95308	0.2
290.08109	0.8
291.08746	0.3
292.09683	2.4
293.10318	0.3
304.06287	0.4
304.09573	0.3
304.63034	0.2
306.07553	0.3
308.12808	1.2
318.07809	0.9
319.08420	2.4
320.09103	10.0
321.09955	5.8
322.10818	0.2
334.06885	0.2
334.10748	4.6
335.11087	2.3
336.12289	100.0
352.08176	0.3
900.34381	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
78.83316	0.3
93.39262	0.2
117.61327	0.3
202.41026	0.3
270.43842	0.3
275.09033	0.4
276.20193	0.3
286.92508	0.3
290.07990	2.0
291.08331	0.4
292.09659	9.0
294.11261	4.2
303.08356	0.4
304.05954	2.0
304.09570	1.1
305.06665	0.3
306.07388	2.4
308.09189	1.5
318.07697	2.5
319.08392	10.7
320.09082	17.4
321.09918	24.5
322.10672	2.5
334.10715	23.2
335.11005	6.7
336.12268	100.0
337.12537	2.5
338.13153	1.6
355.18692	0.3
437.27029	0.4
452.93637	0.3
519.79529	0.3
900.33344	29.6
922.63171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
80.63107	0.1
82.01134	0.2
104.78396	0.2
213.95308	0.2
290.08109	0.8
291.08746	0.3
292.09683	2.4
293.10318	0.3
304.06287	0.4
304.09573	0.3
304.63034	0.2
306.07553	0.3
308.12808	1.2
318.07809	0.9
319.08420	2.4
320.09103	10.0
321.09955	5.8
322.10818	0.2
334.06885	0.2
334.10748	4.6
335.11087	2.3
336.12289	100.0
352.08176	0.3
900.34381	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00594	1.4
69.03444	3.0
74.64520	1.3
81.03429	3.6
85.02903	6.6
89.97800	1.5
90.19207	1.4
91.05470	4.1
97.02872	3.3
99.04459	45.1
109.08488	1.8
117.05505	1.8
119.04956	3.1
121.06548	2.6
123.04423	2.9
127.03937	3.0
129.81216	2.0
131.04909	2.5
134.45250	1.8
139.28476	1.6
145.02922	5.2
145.04942	1.7
147.04428	3.5
149.05994	7.9
163.03883	11.3
164.04791	1.8
167.07031	8.7
175.03986	14.1
177.05434	18.9
179.07014	7.6
180.04254	2.5
181.08618	4.0
190.02634	3.2
191.07068	18.3
193.04980	9.7
195.06561	8.7
205.04959	77.6
205.70775	1.7
207.06511	34.4
209.08107	8.6
219.06709	1.7
221.08009	1.7
223.06013	37.2
277.10858	2.9
290.08234	6.5
292.09827	1.7
297.09708	30.4
302.08414	1.8
304.05994	7.1
307.11765	9.2
312.42523	1.8
318.07697	7.3
319.08389	43.9
320.09064	13.0
321.09839	8.0
333.05032	1.8
334.10727	100.0
336.08752	2.2
336.12360	28.1
383.11349	7.5
401.12213	11.8
465.13522	2.8
473.14075	3.5
491.15613	3.2
503.15570	2.6
535.17664	2.6
557.19806	7.9
575.21515	3.3
605.22504	11.5
900.29724	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.2
68.99783	1.0
69.03432	2.0
72.02228	0.7
81.03406	6.3
83.04992	1.3
85.02894	4.7
85.06535	4.1
88.55383	0.9
89.03908	1.0
91.05453	1.5
97.02900	4.5
98.04086	0.9
99.04456	32.8
105.07013	0.9
113.06023	1.2
117.03398	1.7
119.04929	3.7
123.32464	0.9
127.03889	1.1
127.46925	1.0
133.06467	3.6
140.04666	2.3
145.02849	6.8
147.04420	4.9
149.05994	5.5
153.05434	1.7
155.07013	4.7
161.05984	10.4
162.03094	2.2
163.03900	5.2
167.07025	9.7
175.03900	19.4
177.05440	18.9
179.07039	5.6
181.04953	2.0
181.08600	1.6
190.06320	1.4
191.07039	7.5
193.04987	10.1
193.08667	4.3
195.06535	5.6
198.08075	1.0
201.09106	1.1
205.04958	64.8
207.06517	34.3
209.04439	2.2
209.08096	8.4
217.08739	1.2
219.06538	2.1
223.05966	14.4
229.08647	1.0
237.07632	1.5
247.09584	1.0
261.07507	1.8
261.11227	1.7
275.09006	1.0
276.06604	1.6
277.10629	1.2
290.08014	8.8
297.09674	25.0
302.07895	1.2
304.05951	8.0
307.11777	15.5
318.07623	10.9
319.08368	48.7
320.09161	16.0
321.09579	1.8
322.10486	1.1
334.10706	100.0
335.11115	2.3
336.12317	9.3
338.13791	6.1
383.11313	4.6
465.13995	3.5
473.14383	10.9
503.15308	1.2
507.18439	5.1
535.18329	7.3
549.19568	3.9
567.20703	3.8
575.21576	6.7
644.06403	1.1
775.14893	1.3
805.44226	1.0
848.66620	1.0
853.87329	1.0
900.27679	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16732	0.2
65.36746	0.2
67.05491	0.5
68.33263	0.2
68.47469	0.2
69.07043	0.3
78.42904	0.2
79.05482	0.4
88.40260	0.2
90.88387	0.2
93.07028	0.4
95.08608	0.4
97.02881	0.3
107.04961	0.3
107.08590	0.4
109.02900	1.3
109.10228	0.3
117.93338	0.2
119.61255	0.2
121.10136	0.3
133.10149	0.3
135.11696	0.2
150.15897	0.2
161.09601	1.2
189.09137	0.5
272.28305	0.2
281.13879	1.5
292.09631	8.3
304.09793	1.5
306.07596	3.1
319.08307	0.3
320.09134	11.0
321.09949	26.9
334.10568	0.4
335.25766	1.2
336.12280	100.0
337.12714	0.8
376.64383	0.2
541.35358	3.0
900.47064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41447	0.3
66.84917	0.2
83.26324	0.3
87.35485	0.3
155.02621	0.3
207.06479	0.4
290.07895	0.4
292.09628	3.3
306.07645	0.5
318.07565	1.4
319.08374	2.0
320.09171	100.0
321.09979	0.4
322.10513	1.4
334.10724	3.7
336.12280	2.1
785.08270	0.4
902.28571	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08107	0.8
72.70245	0.2
86.09697	1.5
87.19027	0.2
127.03807	0.2
127.08668	1.5
130.06483	0.7
131.04958	0.2
141.33517	0.2
159.09183	2.2
185.95757	0.2
187.08615	0.2
206.02878	0.2
244.10793	1.2
258.15924	0.3
276.06445	0.3
277.27570	0.3
290.08096	10.8
290.11380	0.4
302.08124	3.1
304.06015	10.9
306.07913	0.3
308.09061	0.3
318.07578	13.2
319.08368	53.3
320.09024	3.7
321.09549	0.4
334.10709	100.0
335.11044	1.8
336.12213	1.6
337.12772	0.3
338.13672	1.1
642.33685	1.2
755.42529	0.4
902.30151	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92313	0.8
63.96576	1.1
69.07073	2.1
71.06108	0.8
72.08156	38.6
80.54179	0.8
86.09707	82.7
99.09219	10.2
101.50871	0.9
111.41616	1.0
118.06545	1.6
125.20062	1.0
127.08677	73.1
130.06522	61.0
132.08109	21.6
138.71100	1.1
140.14374	4.5
143.11797	6.1
144.08064	4.7
148.06082	4.6
156.08131	1.6
159.09169	100.0
169.07590	4.4
170.06006	8.6
171.09192	3.9
171.11282	4.2
183.09224	1.7
187.08667	29.7
196.51195	1.1
198.12764	4.1
199.08640	6.9
199.18060	5.8
211.10851	1.1
213.13834	7.6
214.09795	10.3
216.11307	2.4
227.08154	16.9
238.09349	1.2
241.13332	1.2
244.10803	49.6
256.10742	2.3
258.15997	31.7
261.14429	4.9
271.12402	1.6
283.12238	4.3
284.10428	1.7
286.15439	17.4
290.08096	4.3
296.10138	1.6
301.13004	9.5
304.06076	6.0
312.17029	7.1
318.07440	9.2
319.08383	27.5
320.09055	9.3
321.09903	1.1
323.11111	1.2
326.22128	3.7
328.14529	1.5
334.10706	52.4
335.10941	1.4
336.12289	9.8
337.12692	4.9
338.13513	2.5
345.16940	2.0
352.15384	1.3
356.13824	1.6
357.19302	7.6
373.16437	2.3
400.19775	14.1
430.18549	4.8
431.24927	2.5
447.28036	1.1
456.25967	2.2
472.23318	6.1
529.25385	14.5
543.27032	1.7
614.34454	11.4
617.33008	21.4
642.33893	56.0
642.44525	1.8
727.43103	7.4
755.28827	1.6
755.42371	45.2
884.45789	1.8
902.30048	25.0
902.46857	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30598	1.9
67.05513	19.0
69.07064	4.1
77.44066	1.9
78.15119	1.9
79.05487	17.1
81.07062	26.0
81.63821	2.0
83.08607	4.5
85.02896	2.9
85.77261	1.9
91.05498	4.8
92.52616	2.0
93.07031	29.1
95.08602	37.9
98.25948	2.1
105.07010	4.5
107.04952	4.3
107.08590	23.2
109.10143	13.4
117.06980	2.8
119.08590	12.1
121.06485	2.8
121.10146	21.3
125.05949	2.3
128.91614	2.1
131.08585	3.6
133.10103	4.7
135.08086	1.9
135.11707	56.7
145.10117	29.6
163.11171	77.7
164.71707	2.1
176.96919	2.1
181.12227	19.7
190.96518	2.2
227.12758	60.5
261.22067	2.3
283.15402	77.0
307.57571	2.6
321.09604	2.2
335.25775	56.4
336.12360	4.2
338.13837	11.3
543.36835	100.0
549.77295	2.3
561.37622	4.2
869.63782	2.5
902.47455	3.2
929.50989	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	20.0
69.07077	8.1
71.04996	1.6
71.69422	1.0
73.02923	1.5
79.05489	18.4
81.07064	28.8
83.04969	1.3
83.08611	9.9
85.02923	1.5
91.02811	0.8
91.03931	1.1
91.05476	6.2
91.70965	1.0
93.07049	27.4
95.04951	5.3
95.08602	38.6
97.02883	2.5
97.06484	1.6
97.50092	1.0
98.99319	1.1
99.04458	1.5
105.07031	5.5
107.04967	2.2
107.08595	22.6
109.06484	1.2
109.10145	12.0
117.07003	4.8
119.08569	11.7
121.06451	2.1
121.10130	20.1
123.11751	1.6
125.06013	1.6
131.08548	1.6
133.10162	4.3
135.08028	1.5
135.11693	53.0
145.10136	24.2
147.11690	4.2
149.05933	2.0
149.13226	4.1
159.11752	1.3
161.06029	1.0
161.13271	1.5
163.11171	72.6
163.14822	1.4
173.13182	1.8
181.12234	15.4
196.34860	1.2
209.11632	1.3
227.12779	56.5
243.20996	1.4
261.22131	6.3
283.15381	67.8
323.11523	1.1
335.25797	57.3
336.12006	1.3
338.13763	7.6
386.30450	9.9
543.36816	100.0
560.57935	1.2
561.37793	9.7
674.62384	1.2
902.48499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
74.20679	2.3
75.53577	2.3
80.77107	2.6
93.45519	2.2
96.18672	2.2
96.31729	2.4
112.07780	2.6
146.53264	2.8
147.49460	3.1
300.17828	3.6
320.09106	10.2
334.10764	5.2
335.11087	3.6
467.10043	10.5
468.10629	4.6
481.84348	3.0
482.12506	4.9
483.13214	4.0
611.14294	5.8
623.14471	3.7
625.12317	60.2
637.16180	5.5
639.13892	24.6
640.14429	16.5
654.16046	4.3
655.17017	100.0
859.22125	5.6
903.22083	73.8
903.38873	5.8
937.96973	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
73.41187	1.5
82.38805	1.6
165.52126	1.9
176.07111	2.6
210.46068	1.8
250.04245	1.7
271.02631	1.9
287.42413	1.8
300.87521	1.9
364.31549	2.0
446.60983	2.2
447.22012	3.4
447.95206	1.8
459.21808	8.8
460.22491	11.8
461.23422	11.6
473.23456	7.3
487.24951	3.0
505.22528	4.0
533.25446	64.7
535.26959	3.2
552.64099	2.0
592.26788	2.4
593.27563	43.8
819.58759	2.1
885.47620	8.3
903.48694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33013	4.1
69.43757	3.9
81.91296	3.5
86.04149	3.6
167.75624	4.2
251.63141	4.2
459.21912	4.9
461.23181	7.1
499.64670	4.5
533.25433	75.6
593.27393	53.1
903.48932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25902	0.1
79.59521	0.1
97.26847	0.1
192.59760	0.1
262.08673	0.1
264.09787	0.1
277.07294	0.1
285.49100	0.1
290.08047	0.6
291.09213	0.1
292.09656	3.7
304.05930	0.2
306.07520	0.3
317.62701	0.1
318.07663	0.8
319.08282	1.5
320.09158	100.0
321.09781	0.9
322.10684	0.1
323.11349	0.2
334.06842	0.2
334.10699	2.5
335.07730	0.7
335.11200	0.4
336.12265	5.8
338.13620	0.4
339.14246	0.5
340.14581	0.1
350.10211	1.4
350.14291	0.2
491.50110	0.1
500.17447	0.2
785.37115	0.1
904.31659	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22812	0.1
66.31596	0.1
66.73114	0.1
70.86893	0.1
78.41454	0.1
83.67632	0.1
118.00587	0.1
212.75896	0.1
241.12051	0.1
264.10355	0.1
290.08188	0.6
292.09647	3.7
306.07739	0.1
308.12823	0.2
318.07623	0.8
319.08411	0.6
320.09155	100.0
321.09808	1.2
322.10538	0.2
328.51233	0.1
334.10703	1.0
335.11206	0.2
336.12271	19.9
350.10150	0.2
412.11649	0.1
592.51593	0.1
875.51880	0.1
904.32715	5.9
919.00928	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83701	0.1
66.84028	0.1
68.80245	0.1
81.27421	0.2
96.44816	0.2
103.49494	0.2
106.06606	0.2
119.70702	0.1
123.11066	0.2
127.48892	0.2
138.17529	0.2
167.06935	0.2
215.74966	0.2
292.09653	3.3
318.07684	0.4
319.08368	0.3
320.09171	100.0
322.18829	0.2
334.10831	0.2
336.12286	1.4
337.12662	0.2
338.13873	0.2
433.06552	0.2
496.37997	0.2
904.31616	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54742	0.6
74.44308	0.7
77.67877	0.7
80.22123	0.7
91.77354	0.8
92.20851	0.9
95.50602	0.7
108.91917	0.7
130.92754	0.7
146.87732	0.7
290.08069	2.8
292.09674	3.1
294.11087	1.2
304.06125	1.5
306.06729	0.7
307.08331	1.3
318.07462	5.1
319.08270	14.6
320.09134	100.0
321.09833	3.4
322.10590	4.8
334.10651	22.9
335.11115	6.6
336.08496	1.0
336.12198	10.9
338.13541	0.9
405.57150	0.8
781.90637	0.8
904.31226	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06631	0.1
71.49763	0.1
88.86413	0.1
112.48653	0.1
112.77109	0.1
129.97621	0.1
133.87924	0.1
154.81215	0.1
236.53165	0.1
244.71364	0.1
257.51556	0.1
290.08115	0.2
292.09671	3.7
310.10425	0.1
318.07642	0.7
320.09164	100.0
321.09595	0.2
334.10608	0.2
336.12198	0.9
376.90378	0.2
406.41388	0.2
414.02921	0.2
428.62344	0.1
503.30991	0.1
671.88641	0.2
904.31702	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
84.32157	0.3
102.59550	0.3
111.27068	0.3
150.90393	0.3
162.43942	0.3
171.05681	0.3
212.84355	0.3
290.08087	0.4
292.09653	5.6
306.07523	0.5
318.07581	0.5
319.08414	1.2
320.09161	100.0
321.09869	5.1
325.09872	0.4
334.10730	1.6
336.12289	17.6
337.12604	1.9
338.13156	0.6
904.31622	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79549	0.2
71.59409	0.2
72.08116	0.4
75.98579	0.2
80.52202	0.2
86.09652	1.3
88.24843	0.3
108.21647	0.2
127.08612	0.5
130.06499	0.5
131.06744	0.3
132.07997	0.3
151.25568	0.2
159.09099	1.3
187.08687	0.3
244.10777	0.5
290.08139	1.4
292.09692	4.5
302.08038	0.3
304.06097	0.5
306.07645	0.5
318.07687	1.5
319.08337	5.1
320.09152	100.0
321.09796	2.7
334.10718	9.8
335.07715	0.3
335.11157	2.1
336.12262	11.6
350.10269	1.8
352.15503	0.3
543.41754	0.3
757.43506	0.4
856.28424	0.4
904.31665	18.1
904.47473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44143	1.3
72.25961	1.3
92.32648	1.5
99.04463	1.2
105.07039	2.4
114.87617	1.3
124.76437	1.2
133.06502	2.0
135.18156	1.5
136.05203	1.5
143.45099	1.4
148.05109	1.7
151.07544	1.7
161.05978	2.6
166.06291	12.4
166.46861	1.4
171.08125	1.8
175.07564	6.4
181.08603	60.3
190.06296	12.8
199.07555	33.0
205.08618	46.6
205.10399	2.6
207.06523	2.3
261.09122	2.4
262.45209	1.6
273.09174	2.7
275.10406	1.8
276.11429	1.4
289.08459	6.2
291.10019	2.4
293.12003	1.8
304.10886	12.8
305.08405	4.0
305.11652	23.7
306.08130	1.7
307.13223	3.0
319.08411	2.3
320.09348	3.3
321.11234	31.8
334.10773	11.2
335.12775	8.6
336.13599	69.8
337.10672	2.4
339.15918	2.2
352.12988	3.1
367.15414	100.0
427.17618	30.5
472.41653	1.7
540.41907	1.4
904.36572	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.6921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08627	21.7
73.06543	4.8
85.10194	7.1
87.04435	5.3
89.06042	68.0
98.77003	3.4
108.57852	3.5
117.05418	3.2
127.44810	3.6
133.08601	18.6
165.07635	3.2
341.33896	4.0
342.56870	3.5
462.52432	3.6
887.65845	17.9
904.69305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5049
Annotation	C21217
Peak:m/z	Relative Intensity
77.24588	0.9
122.38670	0.9
139.30998	1.1
173.70477	1.0
275.11743	1.0
433.24274	1.8
447.22156	1.6
459.21780	7.6
460.22424	10.3
461.23264	11.1
462.23975	0.9
471.24139	0.9
473.23529	5.5
476.25922	1.4
487.24948	3.3
492.25739	1.5
505.22803	4.8
519.24579	1.5
533.25537	69.8
534.25677	6.1
535.26318	6.6
547.26947	2.1
564.23590	1.1
565.28760	1.5
575.26947	1.1
578.25073	1.1
591.00110	0.9
592.26984	1.3
593.27606	52.7
594.27771	1.5
595.28223	1.5
612.46686	1.1
720.25256	1.0
873.47443	1.1
887.50073	3.5
905.50446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.679
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39663	0.6
68.78218	0.6
69.07085	2.4
79.05539	1.0
79.71055	0.5
81.61855	0.5
84.30157	0.5
91.22190	0.5
96.08135	14.4
103.04707	0.6
108.72866	0.6
112.09403	0.5
113.10780	5.7
114.09166	69.4
115.07644	1.0
115.49767	0.5
128.68088	0.6
132.10188	0.9
147.04466	0.6
192.13986	0.8
208.18188	2.4
209.16489	34.4
210.14987	3.2
222.63824	0.7
226.19145	11.2
226.21121	0.8
227.17545	8.5
228.15930	21.5
238.70006	0.6
245.18735	2.4
261.57870	0.6
321.26636	2.7
322.24875	19.0
323.23181	0.8
336.12234	0.8
339.27536	7.9
340.25928	4.6
341.24371	7.4
358.27100	2.3
434.35077	1.4
435.33255	6.8
452.35956	5.4
453.34418	1.0
454.33017	1.1
547.43524	0.9
548.42065	2.7
565.44629	2.3
678.52826	0.8
679.50720	0.8
717.68799	0.8
792.58521	0.8
887.66986	3.3
905.67932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93440	0.1
78.28117	0.1
92.21326	0.2
127.69547	0.2
135.73137	0.1
207.06792	0.2
290.08035	0.8
292.09573	2.8
304.06070	0.3
318.07849	0.8
319.08405	1.8
320.09180	100.0
321.09573	0.2
322.10629	0.3
334.10721	4.0
335.11038	0.6
336.12201	0.6
568.47247	0.1
890.23767	0.2
906.31744	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05942	0.3
85.78180	0.2
99.51722	0.3
101.61215	0.3
105.99314	0.3
110.19923	0.3
128.57233	0.3
214.82124	0.3
228.26500	0.3
238.39407	0.3
244.21489	0.3
290.08273	0.3
292.09674	2.3
318.07278	0.3
319.08337	0.6
320.09183	100.0
321.09473	3.8
322.10196	1.8
334.10718	1.7
335.11078	0.4
336.12222	1.4
337.12979	0.6
338.13571	0.7
392.19821	0.3
906.31854	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05942	0.3
85.78180	0.2
99.51722	0.3
101.61215	0.3
105.99314	0.3
110.19923	0.3
128.57233	0.3
214.82124	0.3
228.26500	0.3
238.39407	0.3
244.21489	0.3
290.08273	0.3
292.09674	2.3
318.07278	0.3
319.08337	0.6
320.09183	100.0
321.09473	3.8
322.10196	1.8
334.10718	1.7
335.11078	0.4
336.12222	1.4
337.12979	0.6
338.13571	0.7
392.19821	0.3
906.31854	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94156	0.1
75.11535	0.1
99.33293	0.1
145.73773	0.2
277.07336	0.2
290.08112	0.8
292.09665	3.6
302.08005	0.2
304.06024	0.2
308.09021	0.2
318.07538	0.7
319.08408	2.1
320.09149	100.0
322.10513	0.2
334.10727	4.8
335.11221	0.2
430.51215	0.2
525.65540	0.2
906.31677	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94156	0.1
75.11535	0.1
99.33293	0.1
145.73773	0.2
277.07336	0.2
290.08112	0.8
292.09665	3.6
302.08005	0.2
304.06024	0.2
308.09021	0.2
318.07538	0.7
319.08408	2.1
320.09149	100.0
322.10513	0.2
334.10727	4.8
335.11221	0.2
430.51215	0.2
525.65540	0.2
906.31677	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81432	0.4
72.97169	0.3
96.08091	0.8
114.09174	2.5
143.93143	0.4
179.75388	0.4
209.16443	1.3
226.19147	0.3
230.34787	0.4
276.06454	0.4
290.08087	8.1
302.08142	2.3
304.06021	8.3
318.07629	11.6
319.08401	54.0
320.09210	6.8
321.09445	4.3
322.10013	1.6
334.10739	100.0
336.12250	2.4
337.13199	1.4
338.13489	0.5
352.15421	4.0
394.18774	0.4
554.71942	0.4
565.44086	0.4
644.23248	0.5
891.33917	0.5
906.19000	3.0
906.33325	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87634	0.3
81.15098	0.4
206.11856	0.4
290.08047	9.1
302.08029	2.5
304.06042	8.7
305.12048	0.4
309.11108	0.5
318.07553	11.0
319.08374	53.9
320.09024	7.0
321.09558	0.7
322.10550	1.8
323.11661	0.5
334.10709	100.0
335.10989	1.5
336.12296	1.5
338.13748	1.7
614.47675	0.4
648.25171	0.5
906.32806	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43642	0.3
70.06579	0.4
84.86803	0.4
92.21554	0.5
110.83369	0.4
114.09102	2.2
120.48592	0.4
129.34438	0.4
130.58228	0.4
131.10519	0.4
207.06195	0.4
209.16493	1.7
210.36613	0.4
251.72986	0.4
290.08057	10.2
302.08054	2.3
304.06000	8.2
318.07553	10.9
319.08377	54.1
320.09171	6.2
321.09442	3.0
322.10217	2.1
334.10718	100.0
334.60437	0.5
335.11075	0.7
336.12204	3.4
337.12933	0.5
338.13626	0.6
458.11902	0.4
906.19263	2.6
906.33209	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
73.78959	0.2
126.12636	0.3
196.61382	0.3
220.95821	0.3
290.08069	9.4
302.08121	3.0
304.06009	9.4
307.45053	0.3
318.07596	12.1
319.08374	56.6
320.09119	8.5
322.10693	1.5
323.11209	0.4
334.10709	100.0
335.10889	0.6
336.11981	0.5
337.12625	0.5
338.13690	0.5
411.35928	0.3
447.97253	0.3
628.69995	0.3
694.33942	0.3
906.33185	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
73.03740	0.3
78.44770	0.2
90.99760	0.3
96.08114	0.4
100.10567	0.3
106.09175	0.3
114.09164	2.7
151.50301	0.3
171.25673	0.3
209.16623	0.9
228.15933	1.0
290.08099	9.1
292.09982	0.3
302.08234	2.2
304.06033	7.9
318.07574	12.1
319.08386	56.2
320.09198	2.2
321.09421	1.5
322.10107	0.4
334.10718	100.0
336.12115	0.4
435.79794	0.3
474.36603	0.3
897.90613	0.3
906.18695	3.3
906.33221	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28559	0.2
74.62139	0.2
84.17278	0.2
88.69118	0.2
89.57775	0.2
130.73796	0.3
145.41292	0.3
178.76495	0.3
212.58142	0.3
270.66379	0.3
290.08115	6.1
302.08063	1.6
304.06070	5.5
304.09207	0.5
318.07596	7.4
319.08383	41.2
320.09131	1.1
322.10522	0.3
334.10724	100.0
335.11081	0.5
346.82544	0.3
352.15387	0.6
906.37048	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28559	0.2
74.62139	0.2
84.17278	0.2
88.69118	0.2
89.57775	0.2
130.73796	0.3
145.41292	0.3
178.76495	0.3
212.58142	0.3
270.66379	0.3
290.08115	6.1
302.08063	1.6
304.06070	5.5
304.09207	0.5
318.07596	7.4
319.08383	41.2
320.09131	1.1
322.10522	0.3
334.10724	100.0
335.11081	0.5
346.82544	0.3
352.15387	0.6
906.37048	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09712	12.2
92.21413	0.6
104.10738	1.3
125.00011	6.2
147.31017	0.6
174.45982	0.6
184.07336	100.0
246.04736	0.5
367.41348	0.6
445.11844	0.6
496.33984	29.0
512.07385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30965	0.6
69.07088	1.0
71.08646	6.1
81.07069	4.0
83.08627	1.6
83.75514	0.6
85.10184	3.5
95.08601	4.0
97.10180	1.2
104.39732	0.7
109.10161	3.2
115.55869	0.7
115.68987	0.7
123.11720	1.2
137.13316	0.9
155.01025	5.3
173.02171	1.1
176.52321	0.8
239.23674	1.3
257.24741	0.7
282.27762	8.0
313.27347	70.9
383.80734	0.7
420.37061	0.7
436.28232	18.6
454.29260	100.0
474.13525	0.8
715.51056	0.8
850.07574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50918	0.2
75.51532	0.2
101.53671	0.2
102.27577	0.2
133.47723	0.2
137.05957	0.3
139.22516	0.2
167.07011	0.3
169.54562	0.2
217.17514	0.2
226.11020	0.2
233.44716	0.2
278.08292	0.3
290.08115	0.2
292.09671	9.2
304.06256	0.3
304.09671	1.0
306.07678	2.9
307.08466	0.3
309.11191	0.2
318.07663	0.5
319.08307	2.5
320.09137	12.2
321.09952	27.5
322.10703	1.5
334.10684	3.9
334.37933	0.2
335.10989	2.2
336.12292	100.0
338.13748	0.4
484.17874	0.3
502.18600	0.2
511.15207	0.2
516.20007	0.8
551.63647	0.2
710.24408	0.3
812.51624	0.2
908.34662	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11858	0.2
95.95177	0.3
100.85379	0.3
100.87475	0.2
114.21742	0.3
120.89566	0.2
180.52408	0.3
292.09717	2.9
294.11377	0.4
308.12759	1.4
319.08282	0.4
320.09158	9.9
321.09897	6.5
322.10657	1.9
323.11407	1.5
334.10641	1.2
335.11148	0.3
336.12283	100.0
338.13794	1.5
350.13879	0.5
470.16397	0.3
488.17111	0.5
502.18726	0.5
516.20465	1.1
712.27350	0.4
908.34912	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	20.0
69.07066	7.8
71.04990	1.1
75.51096	0.9
79.05495	13.6
81.07058	20.7
82.75744	0.9
83.04989	1.5
83.08610	5.5
84.60290	0.9
85.02911	2.5
85.06528	1.9
87.26152	0.9
90.37971	1.0
90.91595	0.9
91.03965	1.5
91.05478	16.9
93.07040	17.1
95.04992	3.8
95.08608	15.0
105.07036	9.1
107.08590	17.9
108.47819	1.1
109.10152	31.4
111.08140	1.3
111.22899	1.0
117.06998	1.7
119.08566	6.5
121.10125	10.3
123.11722	4.1
127.07533	1.3
131.08531	4.9
133.10126	64.3
135.11694	6.7
137.09624	1.2
142.17233	1.0
143.08568	4.3
145.10104	1.7
147.11661	2.1
149.13277	2.5
151.09944	1.3
151.11171	32.7
155.10663	1.4
159.11700	1.7
161.09595	18.8
161.13264	2.5
169.12196	5.1
169.69432	1.2
173.11699	5.1
173.13129	1.4
179.10637	16.7
187.14838	1.2
191.94254	0.9
197.11652	2.0
208.87311	1.2
215.12772	12.3
221.86977	1.0
227.16408	7.1
243.21094	1.3
253.14322	11.4
261.22116	10.0
271.12613	1.7
271.15329	19.8
289.16418	23.0
335.25833	30.0
336.12137	1.6
438.33768	1.2
531.36481	7.0
549.37836	100.0
567.38855	10.4
575.02954	1.4
865.85504	1.2
908.52295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88551	0.4
80.22723	0.4
91.40337	0.4
125.13825	0.4
188.33511	0.4
198.26308	0.4
236.95895	0.4
290.08081	12.0
302.07910	3.2
304.06021	9.3
318.07605	13.8
319.08377	57.1
320.09076	0.8
321.10001	0.5
334.10718	100.0
371.20001	0.5
508.35834	0.4
821.12518	0.5
910.32758	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21497	0.6
102.43029	0.4
115.66376	0.4
174.05464	0.5
195.23409	0.5
199.09850	0.6
224.56622	0.6
290.08099	8.5
302.08090	2.5
304.06061	8.3
318.07596	10.0
319.08392	49.1
320.09024	0.7
334.10724	100.0
336.12198	3.1
338.13824	0.9
372.12262	0.7
615.39972	0.5
910.32758	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.327
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88684	0.2
95.41302	0.3
102.17150	0.3
115.21795	0.3
130.75781	0.3
131.04770	0.3
136.06104	0.3
149.53964	0.2
164.52406	0.3
196.65392	0.3
276.06265	0.3
290.08060	8.7
290.11243	0.3
295.00717	0.3
302.08051	2.6
304.06018	8.3
304.09229	0.4
318.07571	12.4
319.08362	52.8
320.08917	0.4
334.10699	100.0
372.12280	0.3
593.84210	0.3
749.73523	0.3
910.32684	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88551	0.4
80.22723	0.4
91.40337	0.4
125.13825	0.4
188.33511	0.4
198.26308	0.4
236.95895	0.4
290.08081	12.0
302.07910	3.2
304.06021	9.3
318.07605	13.8
319.08377	57.1
320.09076	0.8
321.10001	0.5
334.10718	100.0
371.20001	0.5
508.35834	0.4
821.12518	0.5
910.32758	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08164	0.9
72.04535	2.2
78.20443	0.9
89.96886	0.9
107.04955	7.2
113.46174	1.1
115.82600	1.0
125.78577	1.0
135.08052	64.4
161.07079	10.7
161.09633	1.1
170.85162	0.9
173.07257	1.3
173.09596	16.4
173.10732	1.1
175.08662	39.3
175.10095	1.6
178.80219	0.9
187.08621	7.8
199.08682	1.9
201.10242	9.2
206.12920	1.4
209.11751	17.3
220.14384	9.0
236.20695	1.0
243.11397	1.2
315.16214	1.2
327.08569	1.2
336.12442	1.4
545.26611	6.2
865.42120	1.8
905.51978	1.2
910.48462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21503	0.6
99.04446	0.8
116.37730	0.5
120.63891	0.5
136.42882	0.6
139.20483	0.5
177.05362	0.5
216.51985	0.6
276.06473	0.7
290.08109	10.1
292.09747	0.8
302.08105	3.2
304.06033	9.8
318.07608	13.2
319.08389	60.5
320.09171	19.7
321.09406	0.6
334.10733	100.0
335.11099	2.7
336.12094	4.2
423.58597	0.5
587.36456	0.6
681.11884	0.7
912.30627	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37453	0.1
81.07036	0.1
87.04463	0.1
99.04478	0.4
104.07075	0.2
109.10156	0.1
130.16162	0.1
135.33461	0.1
146.93973	0.1
184.42885	0.1
209.86888	0.1
233.08133	0.2
269.15341	0.1
290.08054	0.8
292.09647	2.9
304.06006	0.2
318.07587	1.3
319.08392	1.8
320.09164	100.0
334.10788	2.6
335.10971	0.1
336.12332	0.6
355.19077	0.2
401.89197	0.1
437.26581	0.5
538.68683	0.1
912.30554	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56989	0.3
79.62081	0.4
82.12770	0.3
86.30896	0.4
148.97943	0.4
288.30811	0.4
290.08090	10.9
292.09680	0.7
302.08182	3.2
304.06018	9.3
318.07587	14.2
319.08374	56.8
320.06033	0.6
320.09155	30.2
334.10715	100.0
335.11130	1.0
336.12378	2.6
409.42444	0.4
543.65112	0.4
912.30518	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.307
Annotation	Unknow
Peak:m/z	Relative Intensity
77.88640	0.2
91.24594	0.1
108.25642	0.2
127.18613	0.1
158.00044	0.2
173.02881	0.2
195.79424	0.2
239.94171	0.2
290.08051	1.3
292.09628	3.0
293.07172	0.2
302.08273	0.4
304.06039	1.3
318.07581	2.2
319.08365	6.9
320.09146	100.0
334.10706	13.6
335.11047	0.3
336.12119	1.3
365.34195	0.2
553.38501	0.2
622.12952	0.2
645.93445	0.2
667.71112	0.2
912.30341	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80896	0.2
64.18528	0.3
65.14736	0.3
74.16824	0.3
85.64320	0.3
290.08118	9.5
290.11292	0.4
302.08069	3.5
304.06012	8.7
305.06683	0.4
318.07614	12.4
319.08383	57.6
320.09213	3.1
329.11407	0.5
334.10730	100.0
335.11029	1.5
336.12097	0.7
351.92093	0.3
363.55957	0.3
436.11816	0.5
912.30481	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
107.36139	0.1
124.40563	0.2
139.67352	0.2
249.69424	0.2
252.45511	0.2
276.06351	0.2
290.08066	2.8
292.09641	2.9
302.08102	0.3
304.06046	2.4
318.07568	4.4
319.08383	13.3
320.09158	100.0
321.09265	0.2
322.10736	0.2
334.10721	25.6
335.11142	0.6
336.12161	0.9
337.12778	0.3
350.10110	0.4
879.69427	0.2
912.30548	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.307
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62919	0.2
90.41709	0.2
98.52410	0.2
142.12349	0.2
174.05415	0.2
175.03857	0.4
175.53358	0.2
194.11905	0.2
205.36420	0.2
207.06508	0.4
276.06570	0.2
290.08099	10.3
290.11337	0.3
302.08078	3.1
303.08765	0.2
304.06039	9.1
318.07639	12.4
319.08383	56.4
320.09085	5.2
327.76398	0.2
332.21652	0.2
334.10727	100.0
335.11136	1.0
336.12042	1.1
436.11810	0.4
452.14786	0.3
526.18433	0.3
537.79822	0.2
912.30450	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
74.70397	0.2
177.77740	0.3
292.09607	2.7
318.07721	1.0
320.09167	100.0
529.62408	0.3
652.45654	0.3
712.72314	0.3
769.67596	0.3
839.45551	0.3
912.31757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71526	0.1
71.27222	0.1
157.04771	0.1
254.31781	0.1
262.08667	0.1
273.51825	0.1
281.73453	0.1
290.08109	0.5
292.09671	3.6
318.07620	0.7
320.09177	100.0
371.23367	0.1
395.04514	0.1
416.32831	0.1
578.62476	0.1
617.75409	0.1
730.21295	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
85.01069	0.2
89.03770	0.2
96.27952	0.2
106.42722	0.2
178.26674	0.2
269.56177	0.3
292.09622	3.4
318.07712	0.5
320.09177	100.0
336.12323	1.3
459.10056	0.2
692.91656	0.3
912.50519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
78.05423	0.3
90.08239	0.3
103.64504	0.3
169.71358	0.3
244.95276	0.4
256.91443	0.3
290.08115	11.3
302.08182	3.2
304.06027	10.0
307.34723	0.3
318.07620	13.4
319.08395	58.1
320.09061	2.5
322.10715	3.8
334.10736	100.0
335.11151	1.4
336.12103	1.6
914.28748	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04010	0.3
71.55951	0.3
78.75895	0.3
115.67474	0.3
205.04758	0.5
276.06445	0.4
278.08130	0.5
290.08105	9.1
292.09695	0.6
302.08124	4.0
304.06046	8.8
304.09296	0.3
308.09323	0.5
318.07578	12.6
319.08374	57.0
320.09158	8.2
321.09793	1.9
322.10480	0.6
334.10718	100.0
335.11014	0.8
336.12277	30.4
432.52136	0.3
506.17044	0.5
736.61224	0.4
914.28870	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66917	0.6
82.97401	0.7
83.76917	0.6
110.35075	0.7
137.05959	1.5
147.55347	0.7
168.26730	0.7
208.65170	0.8
290.08102	8.3
302.08060	1.3
304.06021	6.6
318.07611	12.7
319.08408	56.7
320.09161	4.6
321.09967	1.2
329.11484	1.4
334.10739	100.0
336.12350	3.9
337.13052	1.1
350.10349	1.2
379.41550	0.8
914.28516	51.3
922.21149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.10957	0.2
81.07005	0.3
85.02882	0.3
88.68585	0.2
92.21506	0.4
97.02847	0.2
101.02662	0.2
108.00844	0.2
137.13264	0.4
207.06598	0.2
236.89178	0.3
290.08084	10.8
302.08093	2.9
304.06012	10.2
304.09506	0.3
305.06738	0.4
318.03802	0.4
318.07605	13.9
319.08395	54.7
320.08841	2.1
321.09296	0.4
322.10754	0.4
334.10733	100.0
335.11145	1.0
335.84415	0.2
336.11893	1.0
466.27167	0.2
469.71542	0.3
914.28766	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.10957	0.2
81.07005	0.3
85.02882	0.3
88.68585	0.2
92.21506	0.4
97.02847	0.2
101.02662	0.2
108.00844	0.2
137.13264	0.4
207.06598	0.2
236.89178	0.3
290.08084	10.8
302.08093	2.9
304.06012	10.2
304.09506	0.3
305.06738	0.4
318.03802	0.4
318.07605	13.9
319.08395	54.7
320.08841	2.1
321.09296	0.4
322.10754	0.4
334.10733	100.0
335.11145	1.0
335.84415	0.2
336.11893	1.0
466.27167	0.2
469.71542	0.3
914.28766	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
78.05423	0.3
90.08239	0.3
103.64504	0.3
169.71358	0.3
244.95276	0.4
256.91443	0.3
290.08115	11.3
302.08182	3.2
304.06027	10.0
307.34723	0.3
318.07620	13.4
319.08395	58.1
320.09061	2.5
322.10715	3.8
334.10736	100.0
335.11151	1.4
336.12103	1.6
914.28748	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.10957	0.2
81.07005	0.3
85.02882	0.3
88.68585	0.2
92.21506	0.4
97.02847	0.2
101.02662	0.2
108.00844	0.2
137.13264	0.4
207.06598	0.2
236.89178	0.3
290.08084	10.8
302.08093	2.9
304.06012	10.2
304.09506	0.3
305.06738	0.4
318.03802	0.4
318.07605	13.9
319.08395	54.7
320.08841	2.1
321.09296	0.4
322.10754	0.4
334.10733	100.0
335.11145	1.0
335.84415	0.2
336.11893	1.0
466.27167	0.2
469.71542	0.3
914.28766	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
78.96727	0.2
82.02259	0.2
87.53590	0.2
92.21465	0.2
109.24345	0.2
128.61885	0.2
186.72530	0.2
213.04677	0.2
275.28555	0.2
276.06686	0.4
289.07486	0.3
290.08075	9.9
302.08102	3.3
304.06033	9.1
304.09494	0.2
318.07596	12.9
319.08377	52.3
320.09100	0.4
334.10715	100.0
336.12289	0.3
787.23792	0.2
877.12250	0.2
916.30170	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21357	0.3
82.40671	0.3
94.37511	0.3
99.04400	0.3
109.10098	0.7
139.83846	0.4
192.30917	0.3
290.08093	9.3
302.08127	2.9
304.06012	9.2
305.17709	0.3
318.07620	12.0
319.08374	53.0
320.09067	2.2
321.09479	0.6
334.10721	100.0
335.10913	1.8
336.12384	2.6
382.98172	0.4
493.71011	0.3
553.62128	0.4
898.29645	0.4
916.29999	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
86.24597	0.2
89.48700	0.2
164.04329	0.2
276.06473	0.3
290.08096	9.9
302.08115	2.7
304.06052	9.9
304.09552	0.3
318.07602	12.4
319.08395	56.5
320.09305	0.3
334.10736	100.0
386.10150	0.2
423.94794	0.2
916.30176	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80984	0.3
65.56915	0.3
100.23438	0.3
107.21140	0.3
136.44690	0.3
141.88495	0.3
149.58162	0.3
217.24539	0.3
282.70700	0.3
284.92636	0.4
290.05002	0.4
290.08124	8.8
294.58011	0.3
302.08182	3.0
304.06015	8.6
305.06827	0.3
318.07620	12.0
319.08392	54.9
320.08899	2.3
321.09317	0.7
322.10480	0.4
334.10733	100.0
335.10999	3.9
336.12183	3.5
467.57263	0.3
592.57434	0.3
637.84595	0.4
657.05957	0.3
783.01196	0.3
898.29425	0.7
916.30017	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40799	0.2
68.92614	0.2
70.30251	0.2
105.93979	0.2
137.06004	0.2
167.29297	0.2
207.85049	0.2
276.06326	0.5
290.08099	9.6
302.08127	2.9
304.06012	8.7
318.07599	13.3
319.08377	55.0
320.09094	0.9
334.10715	100.0
336.12097	0.7
338.95242	0.2
386.10422	0.3
916.30121	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50385	0.4
69.17848	0.6
78.57019	0.4
99.37539	0.5
114.09096	0.4
161.62178	0.5
262.73248	0.5
290.08078	9.8
302.07977	2.2
304.05954	7.8
318.07617	12.4
319.08380	57.6
320.09143	8.4
321.09628	1.0
334.10724	100.0
335.11151	1.1
336.12357	5.1
460.87463	0.6
516.27692	0.5
588.87878	0.5
898.29041	3.1
907.67828	0.7
916.29993	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
77.25418	0.2
108.18124	0.2
114.14571	0.2
174.05431	0.3
176.90630	0.2
191.06871	0.3
208.22658	0.2
276.06403	0.2
290.08105	9.8
302.08118	3.1
304.05997	8.9
318.03821	0.4
318.07578	13.7
319.08368	54.1
320.08841	0.5
334.10706	100.0
336.12164	0.3
367.11783	0.3
386.10165	1.2
540.15265	0.3
609.28174	0.3
898.28741	0.4
916.30115	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3
Annotation	Unknow
Peak:m/z	Relative Intensity
74.89656	0.2
76.39719	0.2
96.81519	0.2
99.07247	0.2
113.51956	0.3
207.10524	0.2
290.08105	10.3
302.08072	3.2
304.06033	9.7
318.07574	12.0
319.08383	58.6
320.09006	1.8
321.09720	0.4
331.11456	0.3
334.10727	100.0
335.10980	0.6
336.12384	1.8
709.57831	0.3
916.30151	50.5
946.75854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
73.19224	0.2
80.93050	0.2
84.24585	0.2
91.49212	0.3
101.50809	0.3
104.20437	0.2
161.25592	0.3
247.00392	0.3
276.06488	0.4
277.37234	0.3
286.53195	0.3
290.08090	10.0
295.44965	0.3
302.08112	2.6
304.06061	7.7
318.07608	13.1
319.08395	55.0
320.08908	1.2
334.10727	100.0
335.11026	1.3
336.11984	1.2
464.31085	0.3
916.30133	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
74.63715	0.3
94.45590	0.3
110.39055	0.2
192.68156	0.3
290.08081	10.0
302.08224	2.7
304.06067	8.0
318.07602	12.3
319.08380	51.4
320.09064	1.3
334.10724	100.0
335.11041	0.4
336.12399	0.8
428.54880	0.3
898.29382	1.6
916.30139	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44511	0.4
164.93430	0.4
189.11232	0.9
227.12767	0.5
290.08081	11.6
302.08246	3.2
304.05994	10.3
306.11389	0.5
318.07608	13.6
319.08380	56.6
320.08899	3.0
334.10724	100.0
335.11118	1.5
439.27286	0.7
539.35999	0.5
583.32031	0.6
718.03107	0.5
916.31720	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53970	0.1
92.20972	0.2
174.05435	0.2
191.57750	0.2
213.45468	0.2
276.06625	0.3
290.08093	10.8
302.08142	2.7
303.08786	0.3
304.06018	8.8
304.09525	0.3
318.03830	0.4
318.07587	14.1
319.08380	58.7
320.09027	1.2
334.10718	100.0
374.10123	0.2
442.61755	0.2
456.00790	0.2
875.86646	0.2
918.33228	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.332
Annotation	Unknow
Peak:m/z	Relative Intensity
84.75526	0.4
87.72782	0.4
90.73618	0.3
137.05977	5.9
161.36501	0.4
167.07033	4.9
290.08078	10.0
302.08063	2.1
304.06067	8.6
308.09192	0.8
309.09457	0.5
310.09723	0.4
318.07562	12.3
319.08395	55.5
320.09079	8.8
321.09827	0.5
334.10730	100.0
336.12411	2.7
338.13705	0.6
364.87747	0.4
918.33252	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
83.46597	0.2
86.02090	0.3
88.76005	0.2
92.62457	0.3
104.14394	0.3
137.05992	6.5
146.45151	0.3
149.13817	0.3
167.06999	5.4
169.25507	0.3
191.66522	0.3
257.93674	0.2
290.08075	9.3
297.84952	0.3
302.08069	3.3
304.06033	8.2
308.09302	0.5
318.07581	11.1
318.11118	0.5
319.08383	55.9
320.09119	8.5
334.10724	100.0
335.10840	0.5
336.12396	0.4
347.48242	0.3
360.29382	0.3
543.97382	0.3
918.33234	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08705	0.1
64.33773	0.1
86.90094	0.1
92.20872	0.1
123.27517	0.1
137.05994	2.7
161.46996	0.1
167.07028	2.6
172.99614	0.1
184.67021	0.1
212.37230	0.1
241.47971	0.1
271.09488	0.1
273.07776	0.2
276.06482	0.6
289.07324	0.2
290.08105	10.8
302.08124	3.3
303.08832	0.3
304.06021	9.8
305.06891	0.1
318.07593	12.9
319.08386	58.4
320.08945	1.2
321.09366	0.3
334.10724	100.0
335.11060	0.7
336.12067	0.7
512.17200	0.1
519.38269	0.1
570.34442	0.2
900.31024	0.2
918.33234	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09470	0.2
92.20857	0.5
93.83363	0.2
114.03554	0.2
193.74400	0.3
194.12756	0.2
262.17618	0.2
279.92502	0.3
290.04953	0.5
290.08087	10.9
302.08075	3.0
304.06030	9.9
318.07571	13.8
319.08374	63.1
320.09055	5.1
334.10715	100.0
335.11060	0.5
336.11932	0.5
395.00659	0.3
516.71777	0.3
918.33234	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
109.43335	0.3
137.05989	6.1
167.07014	4.7
199.60204	0.3
276.06705	0.4
290.08069	9.2
302.08121	2.8
304.06003	9.8
318.07611	12.3
319.08386	60.1
320.09128	7.5
331.32605	0.4
334.10724	100.0
335.11026	0.7
336.12546	1.1
717.96558	0.5
918.33246	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48922	0.1
73.08023	0.1
92.88185	0.2
99.35068	0.1
109.99653	0.1
119.12700	0.2
200.92392	0.1
251.05295	0.1
276.06445	0.3
290.08084	11.7
302.08081	3.0
303.08737	0.2
304.06018	10.3
304.09506	0.4
316.06100	0.2
318.07584	14.0
319.08371	61.8
320.08997	2.0
322.10394	0.3
334.10709	100.0
335.11005	0.7
336.12097	0.9
918.33197	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55524	0.4
74.76945	0.5
125.63313	0.5
135.86588	0.5
137.05852	0.7
167.06938	0.5
224.48524	0.5
290.08142	9.8
302.08105	3.3
304.05994	10.1
318.07584	11.6
319.08380	52.9
320.09146	1.1
334.10724	100.0
335.11230	0.7
336.12350	2.3
352.15530	0.8
378.29288	0.6
395.81113	0.5
724.27417	0.7
918.33533	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	1.5
83.04972	12.8
83.08585	1.9
91.05480	1.9
97.10148	1.5
100.07635	1.4
111.70334	1.3
147.11652	17.8
153.51553	1.3
161.99327	1.6
239.04701	10.2
247.24278	1.4
282.27972	7.9
337.02341	64.0
393.08588	26.3
404.52081	1.4
413.05573	2.0
423.50027	1.6
468.27100	1.8
469.11713	15.7
525.18121	24.3
581.24200	20.6
637.30548	100.0
899.10907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
137.46324	1.4
240.37926	1.5
384.87167	1.8
437.59787	1.7
448.22498	1.7
459.21915	1.6
473.23560	7.7
476.21802	3.2
485.23416	16.7
487.24927	2.3
503.24655	8.9
515.24567	14.0
531.24207	20.6
533.25525	29.8
541.21533	2.0
548.23999	2.2
549.25085	6.0
550.25519	2.3
559.23132	13.4
591.26581	2.2
593.27948	10.4
609.27228	6.9
901.47430	41.2
919.48425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
89.54504	1.4
130.10301	1.5
164.50951	1.5
230.85626	1.8
312.50470	1.4
396.04395	1.3
447.21545	1.7
459.21808	5.9
460.22653	3.5
461.23383	3.5
473.23709	1.9
476.21994	2.1
485.23703	11.2
487.24985	3.1
503.24396	6.1
508.17316	1.6
513.22925	2.8
515.24359	8.8
531.24091	14.0
533.25500	41.1
535.27332	6.3
549.24542	1.8
559.23608	6.1
591.26147	6.0
593.27643	25.9
609.27032	3.0
726.44598	1.7
883.46637	2.0
901.47449	23.4
919.48187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
85.61555	2.3
92.21545	3.9
145.11052	2.7
160.37813	2.6
161.09465	2.3
210.33301	2.8
217.93401	2.9
422.87305	2.7
459.21713	6.4
460.22662	6.2
461.23297	13.9
473.23215	10.1
519.24036	3.0
533.25494	64.1
575.26447	3.9
592.26788	3.3
593.27740	47.4
705.02570	3.3
883.45575	3.9
901.47754	35.3
919.48108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.1
69.07074	4.1
71.08627	15.4
81.07062	7.0
83.08620	7.2
85.10183	10.5
95.08607	10.2
97.10169	3.4
98.97835	0.7
98.98466	14.6
99.11771	0.6
109.10161	6.2
111.11703	0.5
121.10885	0.5
123.11719	3.4
132.28461	0.5
136.99939	0.5
137.13268	1.7
155.01035	16.3
170.71637	0.5
172.39738	0.4
173.02133	4.7
189.79207	0.5
239.23692	2.9
257.24716	0.9
313.27350	100.0
393.24124	2.1
449.26630	24.9
461.57211	0.5
467.27734	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.5
69.07085	5.9
71.08285	0.8
71.08637	16.1
71.58160	0.7
81.07058	8.7
83.08614	7.0
85.10181	14.8
87.01103	0.7
87.86547	0.6
95.08609	12.4
97.10164	4.0
98.98476	1.3
99.11782	0.7
103.07581	1.1
106.00983	0.7
109.10153	6.9
111.11681	0.8
112.27267	0.8
118.84445	0.8
123.11684	3.2
146.15759	0.6
151.14798	0.7
155.01015	3.1
163.03822	0.7
173.02040	1.1
208.71101	0.7
239.23567	1.4
257.24680	5.0
267.29111	0.7
277.07434	0.6
298.05020	0.8
303.98630	0.7
313.27344	100.0
336.12207	1.1
337.27328	1.4
449.26590	4.1
467.27625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	3.7
67.79217	0.6
69.07082	4.8
71.08277	1.0
71.08639	14.3
71.41809	0.5
81.07061	7.7
83.08644	6.3
84.76732	0.6
85.10184	12.3
88.17519	0.6
89.06029	0.9
95.08615	9.7
97.10174	3.3
98.98470	12.6
103.06777	0.6
103.07539	0.6
109.10168	6.8
113.28481	0.8
123.11711	2.9
133.55998	0.8
155.01039	18.3
157.09360	0.8
173.02092	2.5
206.39499	0.7
239.23628	1.2
313.27377	100.0
449.20770	1.2
449.26608	23.8
467.27667	9.5
868.83630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.309
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49837	0.1
76.68089	0.1
93.27871	0.1
100.00971	0.1
110.39664	0.1
162.10439	0.1
175.03848	0.2
207.06667	0.1
223.34065	0.1
276.06613	0.1
279.08844	1.1
290.08032	1.0
294.11185	0.8
302.08057	0.1
304.06052	0.5
306.07895	0.1
307.08356	9.9
318.07520	1.1
319.04593	0.2
319.08353	5.5
320.09113	1.2
321.09653	0.4
322.10709	100.0
334.10718	9.8
335.11160	0.2
336.12192	0.7
337.12314	0.1
471.21835	0.9
472.22513	0.8
644.56512	0.1
704.06500	0.1
920.32690	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
72.74345	0.1
83.39126	0.1
91.23602	0.2
94.10278	0.1
98.47190	0.1
121.44463	0.1
146.18068	0.1
171.02390	0.2
173.77779	0.1
276.06534	0.2
290.08105	11.3
302.08115	3.3
303.08704	0.2
304.06021	10.4
318.07596	15.9
319.08386	60.7
320.09033	0.7
321.09634	0.6
322.10294	0.2
334.10727	100.0
335.11237	0.2
336.12277	1.5
337.12424	0.3
388.08154	0.3
486.11545	0.1
920.31213	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.332
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00916	0.4
69.39504	0.5
80.58649	0.4
87.72672	0.6
88.91591	0.4
90.48535	0.4
92.21544	0.9
99.04401	1.8
112.02876	0.4
146.59615	0.4
155.09207	0.4
162.82069	0.4
200.03236	0.5
207.06425	0.5
255.19775	0.4
290.08084	9.0
291.34995	0.5
294.10657	0.4
302.08105	0.9
304.05960	8.4
318.07581	11.6
319.08347	49.6
320.09052	6.7
321.09512	2.2
322.10519	0.9
334.10678	100.0
335.11032	1.8
336.12247	7.3
380.71246	0.6
486.14374	0.5
560.61804	0.5
816.96729	0.5
817.90179	0.5
920.33044	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44950	0.4
76.91704	0.4
89.38446	0.4
107.03807	0.4
116.16309	0.4
137.05884	0.4
141.21417	0.4
141.84824	0.4
155.32520	0.4
235.87834	0.5
278.07968	0.4
290.08160	8.5
291.08350	0.5
302.08163	2.5
304.06030	7.3
305.06409	0.5
307.64749	0.5
318.07553	11.4
319.08389	50.0
320.09149	6.6
321.09647	2.0
334.10724	100.0
335.11203	3.9
336.12225	7.8
528.09692	0.5
810.07782	0.5
866.52948	0.4
920.33374	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25291	0.2
97.24963	0.3
121.22089	0.3
141.88637	0.2
158.33275	0.2
159.80371	0.2
164.82790	0.3
218.06157	0.2
290.04987	0.4
290.08096	8.6
302.08151	2.6
304.06000	8.2
318.07571	11.5
319.08377	52.7
320.08905	2.0
321.09625	0.4
334.10715	100.0
335.10995	0.6
336.12213	2.6
358.83966	0.2
634.78363	0.3
641.00128	0.3
920.33295	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
93.26962	0.1
116.70688	0.1
131.44427	0.1
276.06497	0.6
290.08084	9.0
302.08060	2.4
304.06012	8.4
304.66003	0.1
306.07587	0.2
318.03812	0.3
318.07584	11.8
319.08368	51.2
320.09113	1.8
321.09470	0.7
322.10114	0.2
334.10709	100.0
335.11127	0.6
336.12228	1.4
338.13406	0.1
386.10022	0.1
425.41687	0.1
425.47940	0.1
443.21207	0.1
470.13327	0.1
920.33209	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66810	0.2
83.44500	0.1
92.20907	0.2
176.83527	0.2
194.23801	0.1
262.09509	0.2
276.06497	0.3
290.08093	9.4
302.08090	3.1
303.08850	0.2
304.06027	8.3
318.03809	0.3
318.07593	12.3
319.08383	52.7
320.09000	0.5
321.09491	0.2
334.10721	100.0
335.10867	0.3
336.12323	0.2
386.09973	0.6
734.51691	0.2
920.33282	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25291	0.2
97.24963	0.3
121.22089	0.3
141.88637	0.2
158.33275	0.2
159.80371	0.2
164.82790	0.3
218.06157	0.2
290.04987	0.4
290.08096	8.6
302.08151	2.6
304.06000	8.2
318.07571	11.5
319.08377	52.7
320.08905	2.0
321.09625	0.4
334.10715	100.0
335.10995	0.6
336.12213	2.6
358.83966	0.2
634.78363	0.3
641.00128	0.3
920.33295	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70230	0.4
78.40942	0.5
78.91988	0.4
83.07961	0.4
86.48798	0.4
90.29400	0.5
109.01505	0.4
109.47923	0.5
133.39900	0.4
137.05914	0.4
245.69650	0.4
290.08093	9.2
291.08774	0.7
292.09628	2.1
302.08133	2.6
304.05997	7.6
305.06677	0.8
306.07147	0.5
308.12741	0.8
318.07675	11.8
319.08386	52.5
320.09094	15.7
321.09732	7.0
322.10138	0.5
334.10733	100.0
335.11026	5.1
336.12283	65.5
352.15363	0.7
363.25220	0.5
514.74939	0.6
857.95520	0.5
878.85291	0.5
920.33594	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67889	0.3
108.68581	0.3
118.77474	0.4
146.15976	0.4
292.09686	9.4
304.09622	2.1
306.07706	3.7
319.08200	0.4
320.05365	0.8
320.09134	18.1
321.09915	27.7
334.10782	2.7
335.10880	0.5
336.12289	100.0
920.16675	0.6
920.34686	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90475	0.2
70.06547	0.6
73.68883	0.2
137.05919	0.4
146.10921	0.3
156.20639	0.3
167.07011	0.4
170.00525	0.3
204.06747	0.4
213.76833	0.3
237.90617	0.3
243.12485	0.3
278.08084	2.4
290.08112	0.6
291.08820	0.5
292.06537	0.5
292.09668	10.2
304.06091	0.6
304.09576	1.3
306.07608	7.9
307.08405	0.5
318.07578	0.6
319.08334	5.7
320.09149	13.4
321.09949	27.7
334.10757	9.2
335.11176	3.3
336.12292	100.0
549.60437	0.3
920.34137	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10788	0.5
70.06613	0.8
81.07275	0.7
83.85709	0.6
94.77435	0.6
139.16583	0.6
171.37373	0.6
292.09653	8.1
304.09515	0.9
306.07596	3.5
319.08319	4.9
320.09167	20.8
321.09952	27.8
322.10706	1.0
323.11606	1.1
334.10770	12.4
335.11169	4.8
336.12292	100.0
337.13126	0.8
338.13898	3.6
352.15204	0.8
473.59143	0.7
536.07300	0.6
920.34723	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67889	0.3
108.68581	0.3
118.77474	0.4
146.15976	0.4
292.09686	9.4
304.09622	2.1
306.07706	3.7
319.08200	0.4
320.05365	0.8
320.09134	18.1
321.09915	27.7
334.10782	2.7
335.10880	0.5
336.12289	100.0
920.16675	0.6
920.34686	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	28.7
68.16741	2.0
69.03427	2.0
69.07071	14.0
70.97614	2.1
79.05489	20.7
81.07060	46.3
83.04996	3.3
83.08627	3.9
85.02866	2.1
91.05501	10.2
93.07033	40.7
95.08606	31.3
97.06503	3.1
105.07045	5.1
107.04942	4.1
107.08586	22.1
109.10179	16.4
109.10909	2.0
111.11735	9.7
117.07042	2.7
119.08576	12.1
121.10139	70.4
123.08060	2.3
123.11715	4.4
125.06009	5.2
127.03909	2.2
131.08566	8.5
133.10126	8.2
135.11685	27.7
139.07559	2.5
139.11191	31.6
139.53529	2.6
145.10130	22.4
147.11650	3.1
149.09595	5.0
159.11745	2.9
163.11172	31.6
165.91335	2.5
175.95491	2.4
181.12236	9.6
185.11719	9.9
191.10727	3.7
192.63330	2.3
204.33575	2.4
227.12817	12.9
243.21152	2.4
245.13843	40.0
261.22147	9.1
262.17935	2.9
301.16431	61.8
335.21710	3.8
335.25763	99.6
336.12326	4.8
353.66183	2.2
402.88644	2.4
486.27640	2.5
561.37811	100.0
579.38727	11.0
920.53302	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91275	1.3
64.83339	1.0
67.05513	21.1
69.03424	1.4
69.07076	12.0
71.01346	1.5
71.05013	1.8
77.55466	1.1
77.71220	1.1
79.05499	23.2
81.06614	1.7
81.07066	31.3
83.04979	1.9
83.08640	2.6
85.02905	3.0
85.06539	1.4
89.02416	1.8
91.03948	2.6
91.05459	7.1
91.84413	1.2
92.21042	1.6
93.07046	29.8
95.04957	1.7
95.08604	29.9
97.02859	1.5
97.06521	2.3
97.10168	2.1
105.07034	8.1
107.04997	2.0
107.08596	18.8
109.10161	13.5
109.52659	1.2
111.04442	5.3
111.08073	2.4
111.11723	9.6
117.06983	4.6
119.08574	13.4
121.06517	4.9
121.10141	67.5
123.11729	2.3
125.05982	5.1
131.08560	10.9
133.10085	6.6
135.11693	28.9
139.07593	2.2
139.11172	30.5
145.10143	16.3
147.11641	4.9
149.09621	3.2
149.13272	5.4
153.12759	5.1
159.11653	2.6
161.13211	2.0
163.09926	2.5
163.11171	41.7
173.09595	2.1
181.12244	14.4
185.11658	9.5
191.10669	10.4
203.12721	1.6
209.11655	5.7
219.17392	1.3
227.12770	19.2
245.13805	40.4
261.22168	8.8
283.15247	4.4
292.60461	1.3
301.16449	93.6
317.24686	1.4
320.09116	11.3
321.09689	7.3
335.25800	74.5
336.12207	10.7
337.12714	1.8
466.67374	1.4
561.37872	100.0
579.39032	16.2
920.48669	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70572	0.2
96.50615	0.2
104.66480	0.2
151.83757	0.3
168.14468	0.3
276.06326	0.4
290.08078	8.8
302.08115	2.7
304.06027	7.2
318.07587	11.1
319.08368	55.0
334.10706	100.0
335.10892	0.5
335.21097	0.2
336.12198	1.0
337.12585	0.3
499.85529	0.2
602.04144	0.3
921.30688	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
72.90034	0.2
85.41671	0.2
126.35389	0.3
133.58696	0.2
269.87494	0.3
290.08069	1.0
292.09641	2.9
318.07629	1.3
319.08289	1.0
320.09161	100.0
321.09689	1.3
322.10571	0.4
334.07156	0.3
334.10779	2.1
335.07776	1.0
335.11340	0.6
336.12219	6.8
337.12592	2.9
338.13086	2.2
350.10025	2.3
773.64160	0.3
922.32880	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
90.03884	0.1
107.42263	0.1
125.95698	0.1
161.13371	0.1
195.64143	0.2
202.06548	0.2
218.49033	0.2
249.57707	0.2
264.10269	0.2
277.07281	0.2
290.08081	0.3
292.09662	5.5
294.10941	0.2
304.09564	0.2
306.07666	0.7
307.08423	0.2
308.09296	0.2
318.07629	0.8
319.08429	1.2
320.09167	100.0
321.09900	5.2
322.10580	1.1
323.11319	1.1
324.11160	0.2
334.10684	1.8
335.07672	0.3
335.11041	0.6
336.12274	22.6
337.12643	0.2
338.13962	2.4
350.10138	1.4
423.74298	0.2
537.40765	0.2
574.28992	0.2
593.05627	0.2
922.32831	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.347
Annotation	Unknow
Peak:m/z	Relative Intensity
89.71362	0.8
104.16306	0.8
109.87440	0.8
115.93475	0.9
141.27965	0.9
181.08661	0.9
222.47583	0.9
290.08072	8.6
292.09799	4.6
294.11438	1.0
302.08261	2.0
304.06012	7.7
306.07654	1.0
318.07571	11.6
319.08374	55.4
320.08969	13.0
321.09811	11.6
322.10803	1.9
323.11777	1.5
334.10724	100.0
335.11096	10.9
336.12241	40.0
338.13965	3.0
367.15860	1.2
500.16702	1.2
516.15747	1.0
530.14417	1.0
544.16376	1.4
560.19189	2.0
922.34790	82.5
939.26941	1.1
945.84631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.347
Annotation	Unknow
Peak:m/z	Relative Intensity
89.71362	0.8
104.16306	0.8
109.87440	0.8
115.93475	0.9
141.27965	0.9
181.08661	0.9
222.47583	0.9
290.08072	8.6
292.09799	4.6
294.11438	1.0
302.08261	2.0
304.06012	7.7
306.07654	1.0
318.07571	11.6
319.08374	55.4
320.08969	13.0
321.09811	11.6
322.10803	1.9
323.11777	1.5
334.10724	100.0
335.11096	10.9
336.12241	40.0
338.13965	3.0
367.15860	1.2
500.16702	1.2
516.15747	1.0
530.14417	1.0
544.16376	1.4
560.19189	2.0
922.34790	82.5
939.26941	1.1
945.84631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89413	0.2
71.26955	0.2
77.67117	0.2
78.76742	0.2
117.76355	0.2
136.53456	0.2
143.96350	0.2
202.63850	0.2
290.08063	0.4
291.08704	0.7
292.09677	7.3
294.11026	0.2
304.06363	0.3
304.09564	1.3
305.06586	0.3
306.07635	2.2
307.08478	0.3
308.12787	0.3
318.07626	0.8
319.08313	3.2
320.09122	15.4
321.09933	23.3
322.10449	0.7
334.10709	6.3
335.11185	5.2
336.12289	100.0
806.18829	0.2
922.34760	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89413	0.2
71.26955	0.2
77.67117	0.2
78.76742	0.2
117.76355	0.2
136.53456	0.2
143.96350	0.2
202.63850	0.2
290.08063	0.4
291.08704	0.7
292.09677	7.3
294.11026	0.2
304.06363	0.3
304.09564	1.3
305.06586	0.3
306.07635	2.2
307.08478	0.3
308.12787	0.3
318.07626	0.8
319.08313	3.2
320.09122	15.4
321.09933	23.3
322.10449	0.7
334.10709	6.3
335.11185	5.2
336.12289	100.0
806.18829	0.2
922.34760	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89413	0.2
71.26955	0.2
77.67117	0.2
78.76742	0.2
117.76355	0.2
136.53456	0.2
143.96350	0.2
202.63850	0.2
290.08063	0.4
291.08704	0.7
292.09677	7.3
294.11026	0.2
304.06363	0.3
304.09564	1.3
305.06586	0.3
306.07635	2.2
307.08478	0.3
308.12787	0.3
318.07626	0.8
319.08313	3.2
320.09122	15.4
321.09933	23.3
322.10449	0.7
334.10709	6.3
335.11185	5.2
336.12289	100.0
806.18829	0.2
922.34760	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.27
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33333	0.1
70.46049	0.1
70.84624	0.1
79.81857	0.2
89.57449	0.2
113.54289	0.2
120.26155	0.2
147.74307	0.2
178.27777	0.1
183.27451	0.2
186.84872	0.2
223.58798	0.2
239.01062	0.2
245.63458	0.2
259.15042	0.2
276.06522	0.7
290.08096	10.3
291.08722	0.2
294.11218	1.8
302.08063	3.1
304.06024	11.5
318.07614	14.6
319.08386	59.6
320.09088	1.6
321.09460	0.4
322.10632	1.6
323.11490	1.3
334.10724	100.0
335.10992	0.8
336.12234	1.8
337.12680	1.2
338.13788	4.1
430.01398	0.2
526.14886	1.0
654.19159	0.3
700.20160	3.3
893.43329	0.2
924.26727	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50063	0.4
94.27267	0.4
121.06380	0.4
145.02591	0.5
156.82266	0.4
167.06906	0.9
177.53815	0.5
242.98447	0.4
290.08002	0.8
291.09232	0.5
294.11200	6.8
296.05557	0.5
308.09491	0.9
308.12769	11.8
316.10120	0.5
318.07642	1.0
319.08426	4.5
320.09155	2.3
320.12747	1.7
321.09619	0.5
322.10706	12.7
323.11368	1.9
334.10687	7.2
335.11267	0.9
336.12277	16.9
337.13055	30.6
338.13693	2.0
352.15424	100.0
433.91443	0.4
475.61578	0.5
924.37830	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50063	0.4
94.27267	0.4
121.06380	0.4
145.02591	0.5
156.82266	0.4
167.06906	0.9
177.53815	0.5
242.98447	0.4
290.08002	0.8
291.09232	0.5
294.11200	6.8
296.05557	0.5
308.09491	0.9
308.12769	11.8
316.10120	0.5
318.07642	1.0
319.08426	4.5
320.09155	2.3
320.12747	1.7
321.09619	0.5
322.10706	12.7
323.11368	1.9
334.10687	7.2
335.11267	0.9
336.12277	16.9
337.13055	30.6
338.13693	2.0
352.15424	100.0
433.91443	0.4
475.61578	0.5
924.37830	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81786	0.4
65.84738	0.6
67.05504	0.8
68.99791	0.9
69.03432	6.7
70.01170	0.5
71.04987	0.8
73.02927	3.7
79.05485	0.8
81.03423	15.6
83.04964	1.1
85.02907	16.5
85.06534	2.5
91.05483	2.0
93.07069	0.8
95.04945	2.6
95.08620	0.6
97.02878	6.2
97.06480	0.6
99.04455	100.0
103.03947	2.0
103.05486	0.5
107.04922	0.7
109.02888	4.4
109.06509	0.7
111.04449	0.6
113.06030	1.2
117.05460	2.3
117.07011	0.7
119.04908	1.9
119.08612	0.5
120.73058	0.5
121.06511	2.0
123.04420	2.5
127.03912	6.8
128.06206	1.0
131.04941	0.7
131.08510	0.7
133.06471	0.7
135.07985	0.5
139.07539	17.1
141.05464	0.6
141.06969	0.9
143.08574	3.2
145.04974	2.5
145.06490	2.3
146.02312	0.5
146.03564	0.5
147.04370	4.4
147.08015	0.7
149.05998	2.5
151.07542	2.7
153.06996	1.0
155.06985	3.7
157.06523	0.9
158.85385	0.5
159.08020	2.2
161.06009	0.6
163.03922	1.0
163.07555	0.9
166.06293	3.5
167.06969	1.8
169.06465	6.8
169.08600	1.0
171.08055	7.9
173.06042	1.8
173.09555	0.6
175.03902	19.2
175.07515	4.5
176.08327	2.4
177.05521	2.3
178.06233	10.2
179.07031	4.1
181.04964	3.4
181.06827	0.7
181.08591	22.8
183.04366	0.6
183.06555	0.8
183.08022	1.1
185.06013	0.8
187.07521	5.9
188.08305	2.6
189.09099	0.7
190.06087	0.6
191.03329	0.6
191.07048	3.3
192.04152	2.1
192.07802	5.7
193.04942	4.4
193.08601	4.7
194.09351	5.0
195.06519	2.0
195.10150	3.2
197.05954	3.0
199.07562	7.2
201.08972	1.4
203.07034	2.2
204.07823	3.4
205.04955	14.3
205.08627	3.8
206.09377	3.2
207.06520	99.2
207.10138	7.4
208.07333	0.8
209.08037	10.8
211.03923	0.8
211.07626	1.1
211.09634	5.8
212.08316	0.6
213.05547	0.7
213.09088	0.9
214.10004	0.5
215.07039	12.2
216.07704	1.0
217.08580	3.3
218.09282	1.1
219.06548	0.7
219.10161	14.8
220.07304	1.9
220.11078	0.6
221.08035	5.8
221.11685	1.1
223.06015	21.6
223.09294	3.5
225.07545	33.1
227.06963	2.3
228.07747	2.2
228.11438	1.2
229.08699	1.6
229.10626	0.9
231.06488	1.1
231.10135	6.9
232.10989	0.6
233.08023	2.2
233.11732	4.0
234.47186	0.6
235.09622	9.3
241.08582	2.2
242.09296	2.9
243.06497	27.5
243.08659	2.5
244.07330	1.2
245.08093	6.1
245.11629	1.8
247.05862	0.7
247.09613	11.1
247.13289	2.2
249.07506	2.0
249.11079	1.1
257.04678	0.5
257.08084	3.1
258.08908	0.6
259.09637	6.2
259.13342	3.0
261.07361	1.0
261.09729	2.5
263.09180	3.2
265.10687	2.4
270.08841	1.7
271.06012	19.3
273.11169	3.5
275.09125	48.6
277.10696	11.1
277.14258	2.7
286.08322	0.8
287.09088	0.9
289.10657	1.9
289.13962	0.7
291.12274	3.1
301.10562	4.9
303.08627	43.7
305.10312	5.2
307.08148	0.6
307.11783	1.9
309.13309	3.4
313.07001	1.0
318.07358	0.8
319.08411	3.4
319.11728	2.9
320.09006	4.2
321.09698	21.9
321.13351	1.2
322.10709	1.1
323.11258	25.7
334.10776	8.5
335.11078	3.0
336.12247	4.4
337.12897	6.0
343.15390	2.2
349.12863	0.8
357.13165	2.2
369.13275	6.2
387.14407	6.8
389.15900	11.5
399.14227	0.6
403.17587	2.0
405.15540	4.4
407.16934	10.6
413.66931	0.6
417.15323	2.3
421.18353	0.7
435.16537	5.9
453.17517	27.2
465.17590	1.7
483.18066	0.7
497.17822	2.8
515.19049	12.1
533.20172	0.7
581.23969	3.5
599.24689	7.1
609.25366	1.9
611.24518	1.0
628.95538	0.6
633.21564	0.9
639.26392	0.7
649.24817	7.5
924.35175	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	3.7
69.73983	1.5
71.04984	1.4
73.02927	12.9
81.03418	10.9
85.02911	8.3
91.05476	2.3
97.02893	8.1
99.04453	68.1
106.38432	1.7
109.02925	7.2
119.04957	4.3
123.04449	1.6
127.03918	7.1
128.06262	3.7
141.05446	4.3
143.08583	3.7
145.06401	2.1
145.83600	1.6
147.04422	8.1
159.08032	3.3
166.06303	2.0
169.06506	17.9
171.06688	2.1
171.08066	11.1
173.05865	1.7
175.03882	29.0
176.08340	4.0
177.05417	1.9
178.06277	6.7
181.04877	3.5
181.08594	9.8
187.07504	8.7
191.07072	2.3
192.04044	2.3
195.10165	2.8
197.06070	6.8
199.07530	11.4
205.04988	8.1
205.08650	2.3
207.06522	100.0
207.10126	10.5
209.08089	6.4
211.09537	2.1
215.06996	30.9
219.10231	4.0
221.08044	3.5
223.09633	2.5
225.07570	4.2
227.07027	2.4
228.07751	2.1
229.08612	3.2
229.89490	1.7
231.10165	3.7
233.08080	3.3
235.09644	2.1
243.06496	65.4
243.08662	12.9
244.07324	2.6
245.08165	2.9
247.09601	13.4
247.24211	2.0
257.08167	3.0
259.09622	9.0
271.06009	46.0
273.11203	2.9
275.09106	12.9
289.07443	2.1
301.10638	6.9
303.08624	86.6
305.10117	8.9
306.07645	2.2
307.08170	3.0
308.09109	2.3
315.08774	2.0
319.08484	16.4
319.11780	2.7
320.08987	11.8
321.09799	2.0
323.11368	2.6
334.10684	29.5
335.11057	3.3
336.12134	6.6
337.12579	2.3
400.24646	1.9
403.17542	2.2
419.13675	2.7
421.14709	2.2
449.14490	2.1
463.15942	3.0
509.14563	3.0
527.15283	14.6
529.17090	2.5
545.16833	17.5
547.18054	10.3
563.17596	4.1
631.23560	2.5
703.23315	2.1
721.24835	2.5
739.25232	3.6
757.26605	4.1
924.32983	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86037	1.9
69.03435	4.6
73.02910	3.0
81.03414	16.8
85.02905	18.3
85.06544	2.8
97.02936	3.1
99.04449	99.9
99.84287	2.6
109.02932	2.3
117.05554	2.7
117.50491	2.4
127.03923	3.3
139.07536	17.2
151.07475	2.5
166.06055	2.2
167.07025	5.0
169.06517	2.8
171.07997	4.5
175.03918	19.1
176.00096	2.1
178.06232	5.7
179.06902	4.0
181.04927	4.2
181.08594	18.9
187.07545	9.2
191.07040	4.9
193.08655	2.8
194.09348	4.3
199.07507	5.2
201.09187	2.3
203.07001	2.4
204.07762	3.1
204.97070	2.2
205.04903	15.0
205.06613	2.5
205.08559	3.6
207.06512	81.1
207.10159	9.1
209.08072	9.8
211.09636	3.9
215.07019	10.3
219.06552	4.4
219.10153	11.4
221.08162	5.4
223.06021	14.7
223.09515	2.7
225.07535	23.5
233.11771	2.6
235.09660	5.2
243.06526	20.7
247.09665	10.8
257.08090	4.1
259.09583	2.9
271.06088	15.8
273.11200	2.7
275.09097	44.3
277.10641	11.4
290.08246	4.4
303.08582	52.2
305.06525	2.6
305.10120	11.1
306.07446	2.5
307.12265	2.5
308.09174	11.9
318.07648	3.3
319.08389	35.8
319.11670	5.6
320.08774	25.1
321.09509	31.9
322.10452	4.8
323.11292	21.7
334.10703	68.7
335.11026	33.3
336.11902	38.7
337.12628	16.3
338.13123	4.2
369.13330	3.1
387.14413	4.2
389.15878	10.1
407.16986	11.7
435.16238	5.0
438.24249	2.6
453.17496	28.0
515.19208	11.0
530.84845	2.5
599.25165	4.1
649.24725	8.5
886.44562	3.1
924.34814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05237	2.1
67.05515	36.8
69.07059	12.4
71.08634	33.9
79.05485	12.0
81.07063	59.8
83.08625	19.1
85.10184	18.9
87.34496	2.0
91.05477	3.8
93.07047	26.8
95.08014	2.3
95.08604	54.9
97.10185	8.5
98.98474	38.9
99.08109	2.8
105.07024	4.6
107.08589	24.3
109.10159	33.9
117.07034	4.1
119.08591	11.8
121.10132	26.9
123.11709	15.5
123.72716	2.9
131.08557	9.7
133.10130	9.2
135.11671	27.7
137.09657	2.2
137.13261	4.3
145.10139	10.2
147.11697	8.5
149.13264	15.7
151.14854	2.4
155.01042	100.0
159.11687	10.2
161.13243	10.3
163.14845	11.6
167.73586	2.5
168.22787	2.2
173.02037	4.0
173.13248	11.2
182.66649	2.3
239.23814	2.4
243.21056	18.1
261.22134	45.4
313.24005	4.2
313.27350	60.1
335.25848	8.8
353.26819	47.9
392.84851	2.2
393.23975	99.1
461.30106	2.4
497.31039	11.1
547.96832	2.5
639.61359	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
105.83510	0.2
106.80735	0.2
138.11314	0.2
159.74423	0.2
170.81114	0.2
182.37196	0.2
194.49855	0.2
273.07864	0.3
290.08099	10.2
291.08682	0.2
295.11627	0.3
301.65802	0.2
302.08060	2.5
303.08829	0.4
304.02747	0.4
304.06042	8.9
318.07620	13.6
319.08392	59.1
320.08902	1.6
321.09573	0.4
322.10663	0.3
334.10730	100.0
335.11044	1.5
336.11969	0.9
530.98676	0.2
654.49261	0.2
916.65558	0.3
926.32233	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35835	0.1
70.06511	0.2
85.02876	0.2
91.11827	0.2
106.22575	0.2
175.03828	0.2
183.84825	0.2
225.00365	0.2
233.86652	0.2
256.45801	0.2
276.06467	0.3
290.08084	8.7
302.08176	3.3
303.08789	0.2
304.06033	8.7
304.09573	0.3
318.03802	0.4
318.07578	12.5
319.08374	55.3
320.09067	1.3
334.10715	100.0
335.11230	0.3
336.12289	0.3
338.13766	0.3
372.12494	0.3
551.90851	0.2
687.32916	0.2
750.34906	0.2
926.32184	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.322
Annotation	Unknow
Peak:m/z	Relative Intensity
72.24939	0.4
86.83110	0.4
87.78384	0.4
92.73598	0.4
112.32100	0.5
148.53238	0.4
177.05522	0.8
196.03159	0.4
243.22258	0.4
266.02176	0.4
281.07895	0.5
290.08099	8.6
302.08051	1.9
304.06024	8.6
318.07605	11.7
319.08392	54.5
320.09061	2.3
334.10736	100.0
336.12216	2.4
337.13068	1.0
338.13419	0.7
352.15570	2.8
353.15710	2.9
354.15912	1.6
473.34259	0.4
500.20523	0.5
535.16992	0.5
632.75989	0.5
811.01190	0.5
926.32141	63.0
941.58966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52538	0.3
105.12041	0.3
129.51790	0.3
167.06940	0.4
189.05499	0.3
195.25050	0.3
276.06366	0.4
290.08084	10.8
302.08072	2.7
304.06055	9.4
318.07581	14.1
319.08380	60.4
320.09174	2.1
324.24741	0.3
334.10715	100.0
335.10754	0.5
336.12308	1.5
442.42490	0.4
926.32184	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
74.40120	0.2
83.11292	0.2
84.16015	0.2
99.04401	1.7
130.04630	0.2
226.26332	0.3
233.38759	0.4
249.11232	0.4
276.06619	0.3
290.08087	11.2
290.11282	0.4
302.08118	2.5
304.06024	9.4
318.07578	12.5
319.08380	55.4
320.05438	0.4
320.09177	11.1
334.10724	100.0
336.12164	0.3
350.10162	0.5
545.96362	0.3
622.27667	0.3
926.32324	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63182	0.3
97.27493	0.3
111.00921	0.2
118.70983	0.3
122.01763	0.3
127.41975	0.3
131.29851	0.2
147.41896	0.3
177.05415	0.3
182.81155	0.4
290.04968	0.6
290.08090	10.6
294.11267	0.5
302.08057	2.8
303.08932	0.3
304.06012	9.8
305.06131	0.5
308.64380	0.4
318.07587	14.9
319.08377	56.9
320.08688	3.9
321.09302	1.4
322.10959	0.4
334.10712	100.0
335.11020	5.2
336.11737	2.3
400.90848	0.3
494.16391	0.3
926.32080	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
73.22074	0.2
195.73096	0.2
211.61723	0.3
276.06442	0.4
289.07285	0.2
290.04956	0.5
290.08087	10.8
302.08087	3.1
304.06027	10.4
316.06046	0.2
318.07599	12.8
319.08371	62.4
320.09152	2.1
323.11401	0.3
334.10709	100.0
335.11212	0.5
336.11981	0.5
338.13904	0.4
845.89429	0.3
926.32178	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20874	0.2
105.81731	0.3
135.95015	0.2
173.06348	0.3
187.00113	0.2
276.06329	0.2
290.08096	9.7
302.08102	2.5
303.08881	0.3
304.06015	9.5
318.03851	0.5
318.07587	13.5
319.08386	59.3
320.09103	1.2
334.10730	100.0
335.11005	1.0
336.12103	0.3
590.43115	0.2
760.50739	0.2
906.85797	0.3
926.32251	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51603	0.2
72.48521	0.2
85.43153	0.2
91.51203	0.2
99.04443	2.2
107.59444	0.2
195.38199	0.2
197.29669	0.2
249.11197	0.4
276.06418	0.2
289.67047	0.2
290.08109	11.1
302.08194	2.4
303.08963	0.3
304.05994	8.7
304.09500	0.3
318.07605	12.4
319.08377	54.1
320.09155	8.4
334.10712	100.0
593.16443	0.2
884.99457	0.3
926.32227	52.0
945.26178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21474	0.6
99.04404	0.5
99.48294	0.4
102.23615	0.4
290.08154	2.2
292.09586	2.9
298.04221	0.4
302.08182	0.5
304.06021	2.0
318.07547	2.8
319.08405	14.0
320.09180	100.0
334.10727	30.2
335.10959	0.4
336.12234	1.5
382.72586	0.4
541.94922	0.4
771.60315	0.5
818.81909	0.6
926.34113	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
77.48949	0.2
80.47456	0.2
85.37759	0.2
96.60867	0.2
103.90736	0.2
121.98626	0.2
239.10826	0.2
290.08041	0.4
292.09671	3.5
318.07590	1.0
319.08316	0.8
320.09164	100.0
326.27124	0.2
334.10690	2.1
384.95810	0.2
555.13953	0.2
926.32190	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
132.45058	0.2
142.61375	0.2
204.31906	0.2
224.85881	0.2
248.40057	0.2
290.08099	0.4
292.09622	3.2
315.22186	0.2
318.07706	0.3
320.09167	100.0
334.10663	0.8
638.78766	0.2
850.30359	0.2
926.32434	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02508	0.2
72.94732	0.2
73.73190	0.3
91.94749	0.2
96.72473	0.2
99.04464	0.4
138.01006	0.2
190.20932	0.2
207.06477	0.2
224.44048	0.3
269.09116	0.3
290.08099	0.5
292.09607	2.6
318.07684	0.5
319.08496	1.3
320.09180	100.0
321.09378	0.3
334.10641	3.0
335.10974	0.3
336.12408	0.5
376.69974	0.3
620.51471	0.3
926.31329	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39172	0.2
85.99298	0.2
100.77094	0.2
116.41554	0.2
167.35060	0.2
207.06441	0.2
251.03038	0.2
276.06152	0.3
290.08109	10.4
290.11337	0.4
302.08139	2.8
304.06018	9.9
318.03879	0.4
318.07596	14.2
319.08383	57.0
320.08893	1.6
321.09628	0.4
334.10718	100.0
335.10986	0.7
336.12137	0.8
337.11908	0.2
374.10129	0.3
413.17188	0.2
742.07422	0.2
926.32239	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02896	0.2
89.06040	0.2
94.92404	0.1
113.66431	0.1
121.06490	0.2
122.13056	0.1
126.09527	0.1
133.08536	0.2
193.86789	0.1
277.07379	0.1
285.09866	0.1
290.08060	0.2
292.09650	3.5
318.07614	1.2
320.09164	100.0
363.81006	0.1
456.23004	0.1
670.02710	0.1
695.15356	0.1
776.15942	0.1
938.74591	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02927	0.3
81.03318	0.4
85.02847	0.4
85.40011	0.3
99.04379	1.8
108.29146	0.3
175.03815	0.5
193.04930	0.3
207.06480	1.5
227.57460	0.4
243.06387	0.6
290.08069	8.4
302.08096	2.5
304.06021	7.7
318.03946	0.4
318.07596	10.3
319.08371	49.1
320.09055	2.1
322.10748	0.6
334.10727	100.0
335.11011	1.6
336.12051	0.8
480.76038	0.4
603.38470	0.4
628.73370	0.4
660.67889	0.4
926.35883	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.359
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	0.5
84.40817	0.4
92.21542	0.6
99.04428	0.9
121.11329	0.5
183.65306	0.5
194.19934	0.5
262.56259	0.5
276.06342	0.7
278.55627	0.6
290.08084	8.6
292.09622	3.4
301.87030	0.5
302.08011	2.0
304.06006	6.1
318.07608	11.3
318.11172	0.9
319.08383	44.6
320.09171	72.9
334.10730	100.0
335.10971	0.6
336.12189	1.1
926.35187	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67153	0.1
100.28432	0.1
109.34583	0.2
125.43470	0.1
169.10060	0.2
226.58925	0.2
276.06357	0.3
290.08105	8.0
290.11328	0.3
302.07986	2.2
304.06012	8.1
318.07590	10.2
319.08374	41.0
320.09067	0.8
321.09772	0.3
334.10715	100.0
336.12097	1.1
398.28564	0.2
449.74628	0.2
518.35260	0.2
926.37280	3.2
926.53534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
73.51633	0.1
96.76620	0.1
114.58479	0.1
125.54620	0.2
145.83514	0.1
183.67374	0.2
189.79585	0.2
199.72220	0.1
202.83504	0.2
204.37210	0.2
276.06702	0.2
287.38647	0.2
290.08099	8.0
302.08130	2.2
304.06024	7.2
318.07599	10.6
319.08389	41.0
320.09177	1.1
334.10727	100.0
335.11301	0.2
336.12225	0.8
404.65973	0.2
487.79895	0.2
611.19281	0.2
926.37634	3.2
926.54108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.375
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02500	0.1
68.59561	0.1
85.52986	0.1
115.65896	0.1
120.92111	0.1
130.79785	0.1
240.73297	0.1
273.07312	0.1
276.06561	0.6
289.07486	0.2
290.08093	8.4
302.08102	2.7
303.08884	0.2
304.03412	0.1
304.06015	7.5
318.07593	10.8
319.08383	42.1
320.09012	0.7
321.09570	0.2
334.10721	100.0
336.12192	0.8
926.37518	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62980	0.1
67.67352	0.1
84.53613	0.1
93.11742	0.1
95.11137	0.1
104.68734	0.1
155.18904	0.1
160.04266	0.1
175.07561	0.1
183.48384	0.1
203.10518	0.1
276.06454	0.3
289.07349	0.2
290.08127	8.2
290.11328	0.3
291.08655	0.1
302.08163	2.5
303.08755	0.2
304.06046	8.1
318.07608	10.5
319.08395	42.0
320.09161	0.4
334.10739	100.0
336.12323	0.8
377.70645	0.1
445.26221	0.2
668.03455	0.2
926.37512	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05163	3.2
67.05518	21.4
69.07066	8.8
71.08632	14.1
74.96864	1.7
79.04409	2.2
79.05489	13.1
81.07058	20.5
83.08617	14.7
85.06521	7.8
85.10184	11.2
89.98601	2.0
91.05489	29.6
93.07053	14.8
95.04942	2.5
95.08606	23.1
97.06519	2.7
97.10172	11.3
103.72582	2.3
105.07063	16.4
107.08595	11.6
109.06523	17.1
109.10157	12.9
117.07028	25.2
119.08583	19.0
121.10141	4.8
123.11716	3.6
129.07005	11.5
131.08586	24.4
133.10117	11.0
135.08067	9.0
139.55786	2.2
141.06993	4.5
143.08516	15.5
145.10110	25.6
147.08064	35.3
149.13313	2.6
155.08533	3.7
157.10129	20.1
159.08049	2.9
159.11688	13.8
161.09660	9.1
169.10139	2.7
171.11736	9.8
175.11241	11.0
183.11723	8.2
199.14824	8.9
201.12727	10.4
217.15880	13.1
227.12859	3.9
237.16365	2.6
255.17461	4.4
273.18451	44.5
306.84775	2.4
313.27332	33.5
313.97498	2.5
316.14993	2.6
336.12131	2.9
347.22189	49.4
441.17859	2.5
482.92227	2.4
488.90302	2.4
585.45160	100.0
603.46277	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
106.77908	0.1
181.08478	0.1
279.08768	1.2
279.29712	0.1
290.08145	0.1
294.11258	0.7
307.08365	12.5
311.26791	0.1
319.08344	0.7
320.09027	1.6
321.09537	1.0
322.10724	100.0
334.10699	1.9
335.10886	0.2
336.12274	0.2
352.11743	0.1
438.59836	0.1
538.01990	0.1
559.83514	0.1
629.29651	0.1
703.81824	0.1
729.47009	0.1
928.33765	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91776	0.1
67.46477	0.1
75.16570	0.1
75.29836	0.1
77.35493	0.1
101.03808	0.1
111.31222	0.1
122.09624	0.1
123.59597	0.1
169.77615	0.1
210.55069	0.1
216.48499	0.1
235.79175	0.1
275.09467	0.2
278.08142	0.2
291.08835	0.2
292.09668	9.1
304.09650	1.5
305.10321	0.2
306.07629	3.0
319.08441	0.2
320.09174	9.8
321.09964	27.1
334.10666	0.4
335.11038	0.6
336.12299	100.0
337.12619	0.2
618.78809	0.1
928.50055	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07053	0.2
90.43885	0.1
90.93736	0.1
150.75018	0.1
256.39175	0.1
256.99216	0.1
275.09436	0.2
278.07901	0.1
285.33823	0.1
291.08835	0.1
292.09659	9.4
304.09641	1.5
305.10556	0.2
306.07620	2.8
319.08124	0.2
320.09140	9.5
321.09940	27.1
332.77820	0.1
334.10724	0.3
335.11163	0.6
336.12277	100.0
337.12540	0.2
404.21136	0.1
454.37192	0.2
928.52411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18517	0.1
70.73843	0.1
74.27713	0.1
74.38103	0.1
88.95642	0.1
129.61681	0.1
134.80750	0.1
177.05159	0.1
217.21260	0.1
273.90912	0.1
275.09271	0.2
278.08057	0.2
291.08688	0.4
292.09659	8.7
303.08789	0.2
303.21747	0.1
304.06183	0.2
304.09601	1.6
304.60153	0.1
305.06421	0.2
306.07605	2.7
306.10843	0.1
307.08368	0.2
318.07526	0.3
319.08279	1.6
320.09125	10.7
321.09946	27.3
334.10797	3.3
335.11090	3.2
336.12283	100.0
337.12723	0.1
381.12436	0.1
537.12219	0.1
928.37677	0.2
936.30029	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
108.59118	0.1
120.51037	0.1
164.72672	0.1
168.40244	0.1
275.09418	0.2
290.08139	0.2
291.08618	0.5
292.09668	8.4
303.08435	0.1
304.06259	0.2
304.09583	1.7
305.06668	0.2
306.07559	2.6
306.10764	0.2
307.08289	0.1
318.07764	0.5
319.08359	2.4
320.09094	11.1
321.09940	25.0
334.10727	4.8
335.11057	4.7
336.12271	100.0
646.91931	0.1
928.37286	0.6
928.53784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.39
Annotation	Unknow
Peak:m/z	Relative Intensity
94.85960	0.1
125.30135	0.1
132.55597	0.1
162.69484	0.1
183.28540	0.2
224.10278	0.1
266.10599	0.2
275.09250	0.3
278.08096	0.2
291.08627	0.6
292.09659	8.0
304.09641	1.6
305.06567	0.2
306.07587	2.9
318.07712	0.3
319.08322	1.8
320.09109	10.9
321.09949	27.1
324.97525	0.2
334.10739	3.9
335.11081	3.9
336.12289	100.0
474.75919	0.2
491.71667	0.2
735.97260	0.1
809.03650	0.2
841.67603	0.1
928.37122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61577	0.2
68.74248	0.2
79.19757	0.2
81.02355	0.3
84.44289	0.3
90.33671	0.3
92.20921	0.4
99.82104	0.3
110.49645	0.3
113.20764	0.3
129.35861	0.2
137.05966	0.4
290.08130	7.1
302.08255	2.2
304.06018	6.2
318.07590	10.1
318.11096	0.5
319.08389	49.5
320.09048	0.6
321.09775	1.1
334.10727	100.0
336.12186	3.2
337.12570	0.4
901.07617	0.3
930.39063	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61577	0.2
68.74248	0.2
79.19757	0.2
81.02355	0.3
84.44289	0.3
90.33671	0.3
92.20921	0.4
99.82104	0.3
110.49645	0.3
113.20764	0.3
129.35861	0.2
137.05966	0.4
290.08130	7.1
302.08255	2.2
304.06018	6.2
318.07590	10.1
318.11096	0.5
319.08389	49.5
320.09048	0.6
321.09775	1.1
334.10727	100.0
336.12186	3.2
337.12570	0.4
901.07617	0.3
930.39063	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66028	0.2
77.23431	0.2
277.11008	0.2
294.11240	8.6
306.11292	1.6
308.09158	4.4
309.09607	0.2
320.09171	0.7
321.09561	1.1
322.10736	10.8
323.11508	31.1
334.10635	0.3
336.12161	0.4
338.13852	100.0
339.14145	0.3
447.97006	0.2
563.20483	0.2
630.67584	0.2
728.94891	0.2
768.48315	0.2
799.02844	0.2
873.91760	0.2
946.95599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42730	0.1
73.97645	0.1
91.05482	0.2
93.07014	0.2
100.04872	0.1
133.10132	0.2
145.10117	0.2
171.99074	0.2
277.11163	0.2
279.08972	0.2
289.46219	0.2
293.10040	0.2
294.11230	9.7
306.11212	2.1
308.09186	4.4
320.09164	0.3
321.09833	0.4
322.10730	11.1
323.11520	30.5
332.65756	0.2
336.12250	1.3
338.13855	100.0
677.20703	0.2
930.48029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
81.11702	1.8
85.49455	1.8
86.09705	28.8
88.19400	1.8
97.03612	1.7
104.10747	73.3
125.00002	8.6
153.12010	2.0
184.05637	3.3
184.07333	100.0
232.12608	1.6
316.39621	1.8
319.66104	2.0
320.09116	2.8
387.42459	2.2
520.33990	58.6
760.42926	2.1
780.84314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92590	0.2
89.46774	0.2
89.56186	0.2
90.96850	0.1
92.21517	0.4
104.23960	0.2
151.29698	0.2
165.69379	0.2
205.88873	0.2
290.08084	11.7
302.08075	3.0
303.08887	0.2
304.06006	11.0
317.31354	0.2
318.07581	15.8
319.08365	55.8
320.09003	1.8
321.09793	0.4
334.10706	100.0
335.10947	1.4
336.12009	0.9
338.13181	0.2
404.11176	0.3
494.49472	0.2
781.00226	0.2
932.30908	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
89.53197	0.6
101.87242	0.6
207.50941	0.8
216.12389	0.7
290.08136	9.9
302.08264	3.1
304.05960	11.1
308.09271	3.1
318.07642	11.9
319.08383	51.6
320.09009	10.0
334.10730	100.0
335.11258	3.4
336.12305	3.8
350.10416	1.3
489.09259	0.7
637.26544	0.7
932.30939	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92590	0.2
89.46774	0.2
89.56186	0.2
90.96850	0.1
92.21517	0.4
104.23960	0.2
151.29698	0.2
165.69379	0.2
205.88873	0.2
290.08084	11.7
302.08075	3.0
303.08887	0.2
304.06006	11.0
317.31354	0.2
318.07581	15.8
319.08365	55.8
320.09003	1.8
321.09793	0.4
334.10706	100.0
335.10947	1.4
336.12009	0.9
338.13181	0.2
404.11176	0.3
494.49472	0.2
781.00226	0.2
932.30908	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07372	1.2
78.27375	1.3
86.09705	19.8
91.90159	1.4
104.10744	68.7
125.00001	7.1
130.11835	1.4
184.05678	3.3
184.07329	100.0
189.81865	1.5
313.27454	2.6
332.18784	1.6
334.11441	1.7
448.85413	1.8
478.32944	1.9
496.33960	58.1
547.33545	1.5
593.41388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
96.28768	0.1
122.58301	0.1
159.03087	0.1
207.73367	0.1
215.33896	0.1
275.09598	0.1
290.08087	1.2
291.08463	0.5
292.09680	2.3
293.10278	0.2
299.15555	0.1
302.08170	0.2
303.08405	0.1
304.06015	0.6
304.09381	0.1
305.06567	0.6
306.07376	0.5
307.08408	1.6
308.12848	0.9
314.36496	0.1
318.07727	1.1
319.08368	4.9
320.09085	10.1
320.45468	0.1
321.09894	6.6
322.10730	17.0
334.10739	8.8
335.11118	4.0
336.12283	100.0
374.58514	0.1
934.31250	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14091	0.8
67.94207	0.9
69.03445	2.2
71.12173	1.0
74.78379	0.9
81.03413	6.5
85.02914	8.3
91.05463	6.1
95.04993	1.1
97.02871	3.5
99.04477	1.0
109.02887	4.0
119.04947	12.9
121.19912	1.0
123.04412	2.2
127.03934	5.2
145.02827	1.2
145.06500	3.6
147.04396	17.1
155.07083	7.2
157.03976	1.2
161.05962	1.4
165.05602	1.0
167.07040	11.9
171.04279	1.1
173.05981	1.5
175.03897	64.4
175.07535	1.6
177.05429	6.4
178.06229	3.9
179.07005	3.6
181.04947	1.3
181.08600	5.2
189.09128	1.4
191.07022	5.4
194.09363	1.5
198.39839	1.0
205.04959	18.3
205.06720	1.6
207.06528	100.0
209.08067	5.2
211.37047	1.0
216.04286	1.2
219.06375	2.2
219.08205	2.1
221.07999	1.1
221.11714	1.6
223.05933	3.6
231.06525	25.8
233.05914	4.5
234.06778	2.1
235.07629	1.6
237.09048	6.2
242.02043	6.2
247.06030	5.2
250.06224	9.6
260.03189	5.4
263.07074	9.1
264.07748	1.2
265.08578	26.9
271.09628	4.3
275.05469	76.0
290.05557	1.8
291.06403	7.2
291.12280	1.4
293.08102	13.6
294.08826	1.2
297.11099	5.5
299.09183	1.1
308.06671	1.9
309.07529	1.0
310.08398	1.2
315.08536	3.9
319.08359	4.0
320.09232	5.5
323.08984	8.3
325.10727	14.2
330.10861	3.9
331.11700	4.0
334.10898	10.7
336.06219	1.8
336.12363	9.6
337.07132	6.9
340.28452	1.0
341.10092	5.0
351.08511	26.1
353.10168	5.1
357.13477	1.6
368.08951	1.4
369.11594	10.3
383.11230	23.0
397.08893	20.6
399.14282	5.6
401.12155	5.3
501.21063	2.0
561.19604	2.0
610.28735	1.3
643.20233	30.0
675.22308	2.4
890.02167	1.2
934.33270	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.479
Annotation	Unknow
Peak:m/z	Relative Intensity
76.20164	0.9
89.66024	1.0
100.13468	1.2
105.07049	1.2
110.95381	1.0
112.90066	1.3
115.82086	0.9
118.28249	1.0
120.01173	1.0
133.10129	1.3
156.08478	1.1
219.72076	1.0
230.29871	1.1
287.58255	1.0
297.12704	1.1
420.23248	1.3
421.24078	1.8
433.24149	1.4
451.21777	1.3
460.23175	1.4
465.22830	21.1
466.23883	2.0
474.24570	1.6
475.25711	2.0
479.24606	1.8
485.23273	1.3
489.22635	1.5
492.25403	2.4
493.26111	12.2
494.26608	2.0
501.23007	5.9
502.23566	1.8
503.24600	13.6
509.22195	1.9
515.24353	3.6
521.25824	7.3
523.23395	8.3
531.23822	4.9
533.25806	5.5
537.24902	18.7
538.25897	10.9
539.26770	1.7
547.23499	7.5
565.24750	2.1
581.27814	1.9
591.26544	1.6
593.27545	1.5
607.25629	1.2
625.26410	2.2
689.67218	1.2
848.46759	1.8
865.60126	1.3
899.45697	1.8
917.47119	16.2
935.47845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	7.1
69.03428	4.2
71.87997	4.3
73.02906	11.3
79.05489	5.4
81.07059	21.1
85.02919	27.7
86.39148	4.1
87.47105	5.1
91.03982	7.7
91.05476	6.7
93.07030	11.3
95.08566	5.0
97.02899	20.8
107.08586	8.9
109.10172	6.9
116.35090	5.1
117.07008	5.2
119.08609	6.1
121.10176	8.2
127.20071	4.4
131.08621	6.3
145.10118	8.7
159.11688	7.2
163.06932	4.6
169.10139	6.3
199.14847	5.2
202.10675	4.5
336.12244	6.4
546.10175	4.7
611.46857	100.0
630.42267	5.3
755.51520	5.9
773.51990	80.2
791.29987	5.6
935.54932	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.328
Annotation	Unknow
Peak:m/z	Relative Intensity
73.81915	0.2
103.78123	0.3
137.06012	0.2
152.98338	0.2
159.07083	0.3
169.79668	0.3
190.30507	0.3
207.06544	0.2
224.31660	0.3
258.47620	0.2
290.08139	8.1
295.92670	0.3
302.08063	2.4
304.06036	7.4
318.07593	12.3
319.08389	54.3
320.09183	2.5
321.09726	0.3
334.10727	100.0
335.10995	0.6
336.12036	0.9
386.10229	0.5
936.32806	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
109.05488	0.4
121.70921	0.3
165.20126	0.3
174.05309	0.4
180.12328	0.3
290.08099	7.9
302.08066	1.7
303.08786	0.4
304.05984	7.6
318.07581	11.3
319.08368	50.4
320.09085	0.7
334.10712	100.0
336.12335	0.5
410.88205	0.3
418.39233	0.4
524.71161	0.4
720.63708	0.4
936.32831	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00534	0.4
103.11343	0.4
103.73061	0.4
167.07092	0.5
290.08090	9.6
294.11127	2.0
302.08118	2.8
303.23340	0.4
304.06067	8.9
308.09198	0.9
311.04678	0.5
318.07571	12.6
319.08395	55.1
320.09021	4.8
321.09613	1.8
322.10663	6.3
323.11542	10.2
334.10736	100.0
335.11023	3.4
336.12268	11.3
337.12622	8.8
338.13821	36.2
401.42053	0.5
458.28653	0.5
468.33301	0.4
502.18390	0.5
508.17422	0.5
516.20319	1.9
533.11682	0.4
538.50323	0.4
599.60468	0.6
698.81793	0.4
726.11401	0.4
936.34241	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
104.54382	0.3
290.08078	9.7
302.08063	3.1
304.06033	9.5
304.09537	0.4
308.12766	1.0
318.07593	12.2
319.08392	57.6
320.08972	2.6
321.09479	0.5
322.10858	1.9
323.11707	0.5
334.10724	100.0
335.11060	1.2
336.12302	4.1
337.13153	2.1
338.13815	1.6
350.10312	0.3
352.15457	6.5
508.17746	0.4
516.19592	0.3
936.34338	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06561	0.9
72.08070	0.2
72.71899	0.2
84.08102	0.4
86.09651	1.6
94.80700	0.3
108.79768	0.2
116.06978	0.4
117.55671	0.2
134.10823	0.3
140.67566	0.3
143.11816	0.3
182.50072	0.3
215.13959	0.4
270.01709	0.3
276.06528	0.4
290.08087	9.8
302.08130	3.2
304.06039	7.2
318.07596	12.1
319.08383	52.4
320.09207	3.7
321.09360	0.3
334.10718	100.0
335.11258	0.4
336.12305	0.5
338.13800	0.4
359.36295	0.3
443.69507	0.3
936.33624	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03592	0.3
77.04649	0.3
93.77102	0.3
119.54083	0.3
129.85371	0.3
137.07613	0.3
140.66788	0.3
167.06973	0.4
179.78593	0.3
181.04863	0.5
214.38564	0.3
267.10901	0.4
290.08102	8.7
302.08109	2.3
304.06024	7.8
308.12820	0.7
318.07599	12.3
319.08380	53.8
320.09015	2.4
321.09506	0.6
322.10699	2.0
334.10721	100.0
335.10999	1.1
336.12280	6.7
337.13019	5.1
338.13821	0.5
352.15387	9.5
426.79211	0.4
497.77606	0.3
740.17920	0.3
877.36871	0.4
936.34332	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
95.06464	0.2
106.54424	0.2
124.29110	0.3
273.07819	0.3
290.08099	9.9
302.08087	2.4
304.06052	8.1
304.09451	0.5
306.07516	0.4
308.12833	1.3
318.07614	12.1
319.08383	54.1
320.09103	1.6
321.09677	1.0
322.10699	1.6
323.11438	0.3
334.10721	100.0
335.11060	0.4
336.12317	5.2
337.13062	3.7
338.13815	1.6
352.15463	9.4
376.51755	0.2
386.27237	0.3
508.17953	0.4
754.49390	0.3
936.34418	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
91.37552	0.3
92.21559	0.4
102.96824	0.3
109.00576	0.3
109.39100	0.3
113.07704	0.3
176.09651	0.3
268.61734	0.3
274.92407	0.4
290.08096	9.9
302.08218	3.1
304.06015	7.0
318.07562	12.8
318.11099	0.5
319.08395	56.0
320.09235	3.2
334.10727	100.0
336.12265	1.4
337.13116	0.7
352.15433	3.9
374.11273	0.3
384.27075	0.3
734.68396	0.4
936.34259	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.343
Annotation	Unknow
Peak:m/z	Relative Intensity
78.22713	0.3
78.31022	0.3
120.27158	0.3
121.06380	0.3
205.08002	0.3
206.55205	0.3
216.04353	0.3
228.16661	0.3
290.08102	9.6
302.08029	2.8
304.06006	8.2
318.07581	13.2
319.08377	58.2
320.09146	2.2
320.41150	0.3
321.09558	0.6
322.10559	0.4
334.10715	100.0
335.11285	0.6
336.12201	2.9
337.12958	0.4
338.13821	2.4
352.15448	1.2
936.34314	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41766	0.2
73.28204	0.2
78.90768	0.2
114.66325	0.3
211.13908	0.2
289.61542	0.2
290.08105	8.8
302.08060	2.9
304.02469	0.2
304.06006	9.5
318.07593	10.9
319.08386	59.9
320.09109	1.0
322.10724	1.1
334.10721	100.0
335.11163	0.4
336.12286	0.8
384.19128	0.2
414.12421	0.3
415.32254	0.3
440.08441	0.3
497.11264	0.2
530.96558	0.2
791.09766	0.3
936.34320	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01845	3.4
88.88657	3.5
103.57374	3.5
110.42661	4.4
118.60155	3.8
137.76564	4.5
152.49828	3.7
190.72876	4.0
201.51437	3.6
302.80780	4.3
405.13297	17.6
465.61322	3.8
696.43683	4.8
810.27936	4.1
937.42950	6.0
937.58569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04300	0.2
88.94038	0.2
99.04409	0.4
264.10181	0.2
266.13803	0.2
290.08182	0.4
291.08325	0.2
292.09674	4.4
293.10251	0.4
304.05908	0.4
304.09482	0.3
305.06442	0.3
306.07516	0.5
308.09167	0.3
308.12750	0.8
318.07770	0.9
319.08334	3.3
320.09079	14.7
321.09906	10.6
322.10620	0.3
334.10684	6.2
335.10989	4.2
336.12268	100.0
338.13623	0.3
513.16766	0.3
785.71252	0.3
788.94385	0.2
938.35736	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00706	0.5
69.03433	100.0
87.04479	2.3
96.17487	0.5
129.05475	0.9
155.07024	16.3
155.08235	0.7
188.30525	0.5
215.09178	3.7
219.07784	0.5
241.10741	2.3
259.11816	2.2
301.12793	3.1
316.28635	0.6
319.13943	0.6
327.14490	1.1
336.12363	0.9
338.13907	2.3
345.15530	2.0
387.16275	3.6
431.19156	2.3
473.20407	1.2
491.21796	0.7
517.23132	1.0
559.24084	1.9
603.26794	0.8
645.27368	0.6
938.41553	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.338
Annotation	Unknow
Peak:m/z	Relative Intensity
84.15556	0.2
97.95157	0.1
103.55659	0.2
126.02900	0.2
179.13911	0.2
185.66522	0.2
191.44843	0.2
271.04810	0.2
276.06586	0.6
289.07358	0.3
290.08099	10.5
290.11334	0.4
302.08075	2.7
303.09119	0.3
304.06027	10.1
304.09528	0.4
318.03787	0.4
318.07599	13.7
319.08386	58.2
329.29401	0.2
334.10724	100.0
381.23895	0.2
512.58899	0.2
753.23657	0.2
787.66669	0.2
909.89301	0.2
940.33783	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36673	0.2
69.27247	0.2
69.37264	0.2
73.01153	0.2
79.54268	0.2
90.69238	0.2
98.38137	0.2
102.25822	0.2
104.85829	0.2
118.51468	0.2
143.40038	0.2
184.33299	0.2
271.56448	0.2
273.08133	0.2
290.08072	10.3
302.08060	2.7
304.06024	8.2
304.09515	0.3
318.03906	0.3
318.07605	13.7
319.08383	56.0
320.09290	0.3
334.10721	100.0
372.12387	0.3
518.86572	0.3
792.87750	0.3
846.58130	0.3
940.33807	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13110	0.5
74.55948	0.5
81.48273	0.6
127.44637	0.5
136.62602	0.5
159.36220	0.5
255.26308	0.5
272.12747	0.6
290.08115	11.1
302.08249	2.9
304.06024	10.1
318.07611	13.2
319.04788	1.5
319.08389	54.5
334.10739	100.0
336.12317	0.8
343.58875	0.6
364.70013	0.6
432.20370	0.7
484.35989	0.7
615.77527	0.6
895.05640	0.6
940.33868	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
73.20998	0.3
77.61150	0.2
80.99763	0.3
117.33455	0.3
118.64597	0.3
119.65634	0.3
120.44987	0.3
132.01762	0.4
134.14482	0.3
135.11664	0.3
290.08075	9.6
302.08118	2.9
304.06033	8.9
310.10651	0.4
318.07617	11.7
319.08374	53.9
320.09164	0.5
331.19540	0.3
334.10715	100.0
335.10904	0.4
486.59161	0.3
892.33337	0.4
940.33752	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91114	0.3
134.43683	0.2
150.28885	0.2
276.06519	0.5
290.08102	9.6
302.08173	2.9
304.06009	9.5
318.07581	12.5
319.08392	55.9
334.10730	100.0
418.29440	0.3
575.89471	0.3
940.33838	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
90.38305	0.2
130.53018	0.2
212.38457	0.2
258.23932	0.2
290.08078	10.6
302.08047	3.5
303.08972	0.4
304.06033	9.0
305.06583	0.3
306.92932	0.2
318.07599	12.4
319.08383	57.4
334.10715	100.0
358.53683	0.2
607.79602	0.2
940.33746	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.355
Annotation	Unknow
Peak:m/z	Relative Intensity
84.34879	0.4
89.22946	0.4
106.67881	0.4
113.69595	0.4
117.91386	0.4
130.77100	0.4
151.53694	0.4
255.99005	0.5
276.06433	0.5
290.08136	10.0
302.08130	2.8
304.06003	7.3
318.07593	12.1
319.08401	42.0
320.09241	2.9
334.10730	100.0
442.59775	0.5
497.12354	0.4
525.06555	0.5
940.35101	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95603	0.2
73.26061	0.2
76.19860	0.3
88.43346	0.3
276.06564	0.4
290.08136	8.1
294.86865	0.3
294.90833	0.3
301.70663	0.2
302.08121	3.2
304.06046	7.4
318.07675	11.4
319.08411	46.1
320.09256	1.7
334.10760	100.0
336.12393	0.6
482.63818	0.3
535.29242	0.3
605.25073	0.3
629.57965	0.3
696.75830	0.3
858.40662	0.4
940.35614	12.6
940.52386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37937	0.4
71.76744	0.3
79.72411	0.3
91.05431	0.8
93.96169	0.4
94.47141	0.4
104.81858	0.3
149.11549	0.4
174.05417	1.7
238.14255	0.4
268.63544	0.4
273.18134	0.4
290.08133	4.1
302.08084	0.7
304.06137	3.6
308.09067	0.5
318.07520	6.1
319.08377	32.2
320.09015	2.7
334.10721	100.0
335.11020	0.8
336.12045	0.7
343.08167	0.5
367.11713	0.8
370.06790	0.5
371.08307	0.4
386.10205	3.2
388.08026	0.8
404.11249	2.1
512.16821	0.7
540.16376	3.6
588.75885	0.4
672.20630	3.4
834.26770	3.1
942.31763	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97594	0.1
75.77561	0.2
88.16610	0.2
90.24744	0.2
90.82797	0.2
98.20370	0.2
100.82968	0.2
110.75526	0.2
112.64452	0.2
127.26993	0.2
137.47032	0.2
161.18390	0.2
162.17035	0.2
174.05394	0.3
276.06345	0.3
290.08090	9.4
302.08093	3.4
304.06024	9.0
318.03818	0.3
318.07602	13.3
319.08383	55.9
320.09256	0.8
334.10718	100.0
336.12350	0.3
386.10229	0.8
605.89923	0.2
727.75470	0.2
942.31720	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44131	0.2
78.01497	0.3
82.09668	0.3
86.83563	0.3
123.19491	0.3
158.07864	0.3
290.08118	9.5
302.08167	3.1
304.05984	7.9
304.09125	0.5
318.07581	13.2
319.08374	55.0
320.09100	11.0
321.09442	0.3
334.10712	100.0
335.11096	1.2
336.12106	1.6
337.12704	0.3
386.10172	0.5
942.31635	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
78.35705	0.3
135.40732	0.3
137.05945	0.4
157.13229	0.3
175.07535	0.3
177.05435	0.4
207.06447	0.3
237.14265	0.3
248.51920	0.4
290.08118	10.2
302.08124	2.9
304.06024	9.8
318.07602	12.5
319.08389	54.1
320.09097	2.2
321.09702	1.1
334.10724	100.0
335.11005	0.3
336.12314	2.4
416.88501	0.3
760.16595	0.4
942.31653	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29282	0.4
74.37680	0.4
75.62196	0.4
86.21352	0.4
94.98426	0.4
118.11832	0.4
134.31270	0.4
134.79987	0.4
143.73628	0.4
195.81685	0.5
290.08112	8.6
291.73312	0.4
292.09659	0.7
302.08115	3.3
304.06030	9.8
304.09268	0.5
318.07581	13.2
319.08383	52.5
320.09174	30.2
321.09799	2.0
322.10486	0.5
334.10733	100.0
334.59845	0.4
336.12296	5.7
927.89941	0.4
942.31445	51.9
951.86719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46918	0.7
85.28735	0.7
96.27703	0.7
131.04961	1.1
140.77112	0.7
144.09888	0.9
155.36148	0.7
227.11665	1.5
243.11227	5.0
246.06654	0.9
255.11156	4.6
259.07532	1.2
260.94537	0.8
273.12329	21.5
285.12238	4.0
290.08090	9.0
291.09894	3.7
292.09601	6.0
302.08301	1.3
303.13339	1.0
304.06015	7.2
306.07532	1.3
309.10959	1.1
318.07657	13.5
319.08371	49.4
320.09140	59.1
321.09879	18.0
323.12750	4.4
334.10733	100.0
335.10941	4.0
336.12277	83.1
407.44962	0.9
425.10107	0.9
481.59296	0.8
601.99622	0.9
732.33191	1.0
942.28241	51.1
942.44067	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82539	0.1
80.33295	0.1
87.27294	0.1
104.40422	0.1
156.34946	0.1
276.06561	0.5
290.08090	10.4
292.09360	0.2
302.08093	3.1
303.08521	0.1
304.06027	9.9
306.07233	0.1
318.03772	0.3
318.07596	12.9
319.08377	55.3
320.09158	1.5
321.10016	0.5
334.10718	100.0
335.11084	0.6
336.12170	0.9
386.10098	0.2
421.93375	0.1
528.20721	0.2
885.62317	0.1
925.42010	0.1
942.31763	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
79.68624	0.6
80.13084	0.4
123.59126	0.5
290.08099	10.9
302.08105	2.7
304.06039	9.1
304.09232	0.9
311.81842	0.6
318.07608	14.9
319.08386	62.2
320.09161	30.5
321.09274	0.7
322.10648	1.2
334.10733	100.0
335.11203	2.4
336.08578	1.1
336.12219	3.5
350.10184	1.2
640.30090	3.1
777.38538	0.7
942.31323	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
264.98920	0.1
276.06570	0.2
290.08072	9.0
292.09677	1.8
302.08090	2.2
304.06024	8.4
304.09491	0.3
308.08902	0.1
318.03793	0.3
318.07587	12.1
319.08380	54.2
320.09152	47.6
320.91745	0.1
321.09613	0.7
334.10715	100.0
335.11099	1.1
336.12241	2.7
338.13385	0.2
343.08377	0.2
386.10193	0.6
942.31677	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24169	0.3
73.07011	0.3
130.93687	0.3
290.08090	9.5
302.08075	3.4
303.08908	0.3
304.06033	10.0
318.07611	13.4
319.08380	55.0
320.09128	3.7
334.10718	100.0
335.11282	0.4
336.12238	0.6
615.74762	0.4
640.30359	1.4
641.30554	0.4
942.31616	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
77.84935	0.2
92.21049	0.2
96.67871	0.2
99.04444	0.2
119.04878	0.2
143.80475	0.2
213.30070	0.2
276.06458	0.3
290.08087	9.8
302.08066	2.3
304.06046	8.5
311.72577	0.2
318.07605	13.2
319.08389	54.1
320.09125	3.9
321.09772	0.9
322.10593	0.3
334.10724	100.0
335.11020	0.8
336.12277	2.0
386.09854	0.3
472.50278	0.2
510.88760	0.2
650.25787	0.2
942.31860	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46918	0.7
85.28735	0.7
96.27703	0.7
131.04961	1.1
140.77112	0.7
144.09888	0.9
155.36148	0.7
227.11665	1.5
243.11227	5.0
246.06654	0.9
255.11156	4.6
259.07532	1.2
260.94537	0.8
273.12329	21.5
285.12238	4.0
290.08090	9.0
291.09894	3.7
292.09601	6.0
302.08301	1.3
303.13339	1.0
304.06015	7.2
306.07532	1.3
309.10959	1.1
318.07657	13.5
319.08371	49.4
320.09140	59.1
321.09879	18.0
323.12750	4.4
334.10733	100.0
335.10941	4.0
336.12277	83.1
407.44962	0.9
425.10107	0.9
481.59296	0.8
601.99622	0.9
732.33191	1.0
942.28241	51.1
942.44067	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46918	0.7
85.28735	0.7
96.27703	0.7
131.04961	1.1
140.77112	0.7
144.09888	0.9
155.36148	0.7
227.11665	1.5
243.11227	5.0
246.06654	0.9
255.11156	4.6
259.07532	1.2
260.94537	0.8
273.12329	21.5
285.12238	4.0
290.08090	9.0
291.09894	3.7
292.09601	6.0
302.08301	1.3
303.13339	1.0
304.06015	7.2
306.07532	1.3
309.10959	1.1
318.07657	13.5
319.08371	49.4
320.09140	59.1
321.09879	18.0
323.12750	4.4
334.10733	100.0
335.10941	4.0
336.12277	83.1
407.44962	0.9
425.10107	0.9
481.59296	0.8
601.99622	0.9
732.33191	1.0
942.28241	51.1
942.44067	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50632	0.2
82.21401	0.2
85.15545	0.2
85.87862	0.2
114.10477	0.2
139.36264	0.2
180.32446	0.2
200.11905	0.2
290.08005	0.2
292.09647	3.8
318.07639	0.8
319.08527	0.3
320.09158	100.0
321.09753	0.3
334.10535	0.2
336.12344	1.5
520.10046	0.2
882.57324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
89.18277	0.1
90.08965	0.1
125.71459	0.2
199.81320	0.2
275.09448	0.3
278.08023	0.4
290.08032	0.2
291.09000	0.3
292.09641	9.2
304.06476	0.3
304.09598	1.9
306.07593	3.4
307.08209	0.2
318.07626	0.3
319.08347	1.5
320.09180	12.9
321.09949	29.6
334.10681	3.4
335.55945	0.2
336.12286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
85.41120	0.1
112.46622	0.1
113.11693	0.1
155.47914	0.1
275.09412	0.2
278.08075	0.2
289.56192	0.1
290.08261	0.2
291.08975	0.1
292.09647	9.7
304.06061	0.2
304.09479	1.4
305.10641	0.1
306.07605	3.4
307.08426	0.1
318.07489	0.5
319.08380	1.1
320.09149	11.8
321.09940	28.1
334.10706	2.9
335.11029	0.1
336.12274	100.0
337.12500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52745	0.6
69.32777	0.5
76.20998	0.6
78.47253	0.6
83.89132	0.6
87.91135	0.8
102.76731	0.6
137.05975	0.8
167.07030	1.1
213.10205	4.4
227.11787	9.3
228.08920	0.8
228.12596	2.5
231.08000	0.7
243.11304	17.8
245.12953	0.8
255.11273	14.1
256.12042	3.1
257.12720	1.1
259.07544	6.1
263.10690	2.9
265.08603	0.7
273.12302	64.6
274.12970	0.9
276.07663	0.7
277.08698	0.9
283.10657	1.2
285.12360	17.2
286.10925	0.9
287.10367	0.8
290.07965	5.6
291.10199	12.7
292.09738	2.5
299.13843	2.7
303.13269	5.9
304.06079	5.7
308.10181	1.3
309.11295	1.5
318.07654	6.9
319.08368	35.2
320.09119	18.7
321.09955	1.0
323.12762	17.3
334.10718	64.3
335.10953	1.5
336.12317	8.9
337.12482	1.0
368.18515	3.3
670.30939	4.9
942.26318	8.9
942.44836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
80.32546	0.2
81.29822	0.3
81.83637	0.2
85.02557	0.2
89.00905	0.2
95.23731	0.2
207.06531	0.3
291.10782	0.3
293.10181	0.3
294.11261	8.7
306.11148	2.1
307.07999	0.3
308.09164	4.1
318.07666	0.3
319.08398	1.2
320.09116	1.6
321.09717	1.8
322.10699	13.4
323.11496	31.7
334.10657	2.9
335.11237	0.3
336.12213	3.6
337.12509	2.7
338.13840	100.0
364.08090	0.3
680.44489	0.3
944.36237	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
93.49020	0.1
96.06763	0.1
123.00929	0.1
167.03905	0.1
275.09225	0.2
278.08057	0.2
290.08102	0.3
291.08655	0.2
292.09637	9.3
293.10062	0.2
294.11349	0.8
303.08670	0.2
304.09607	2.0
305.06375	0.5
306.07675	2.7
306.11166	0.2
307.08142	0.3
308.09018	0.6
308.12396	0.1
318.07755	0.6
319.08295	2.0
320.09146	13.7
321.09933	28.1
322.10513	2.8
323.11496	3.4
334.10712	3.8
335.11063	3.2
336.12283	100.0
337.12662	5.1
338.13770	12.3
352.15506	0.6
353.15912	0.3
944.36383	0.5
944.54608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
75.71972	0.1
81.63529	0.1
85.21578	0.1
90.85360	0.1
99.74942	0.1
141.69270	0.1
193.08763	0.1
211.13350	0.1
252.15807	0.1
275.09320	0.1
278.07892	0.2
282.29092	0.1
291.08804	0.1
292.09668	10.3
293.10052	0.8
294.10822	0.6
304.09650	1.3
305.10114	0.2
306.07568	3.1
306.10605	0.1
307.08237	0.2
308.09055	0.1
318.07736	0.1
318.19427	0.1
319.08292	0.6
320.09180	12.3
321.09946	29.2
322.10342	2.8
323.11255	1.6
334.10593	0.8
335.11267	0.8
336.12289	100.0
337.12622	7.2
338.13492	5.5
352.15173	0.1
690.81262	0.1
943.15179	0.2
944.56622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79167	0.1
67.67467	0.1
69.34463	0.1
70.88609	0.1
85.83376	0.1
101.21403	0.2
105.07088	0.2
114.87004	0.2
121.06503	0.2
128.65564	0.2
143.96896	0.1
165.10442	0.2
169.09857	0.2
194.86743	0.2
218.81242	0.2
275.09143	0.2
277.57318	0.2
292.09641	9.4
293.09991	0.9
304.09787	1.1
305.10620	0.3
306.07550	3.5
306.10681	0.2
308.08731	0.3
320.09195	12.2
321.09943	28.7
322.10327	1.9
323.10880	0.3
334.10727	0.4
335.11206	0.8
336.12289	100.0
337.08740	0.3
337.12643	6.4
338.13232	2.7
352.11615	0.2
944.53070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.422
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69081	0.1
94.41431	0.2
121.06400	0.2
121.29662	0.1
122.87397	0.2
151.29436	0.2
164.06943	0.2
167.86102	0.1
212.11568	0.2
264.38803	0.2
292.09561	0.6
294.11148	0.2
307.12082	0.3
308.12811	11.5
319.08353	0.7
320.09058	2.8
320.12817	2.2
321.09894	2.5
321.13409	0.3
322.10706	4.9
323.11511	0.6
334.10602	1.1
335.11276	1.1
336.07983	0.3
336.12292	22.8
337.13062	31.6
338.13669	1.5
352.15433	100.0
353.15857	0.3
373.89365	0.2
840.48260	0.2
944.38965	0.2
944.55835	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58154	0.1
74.64905	0.1
86.23382	0.1
88.25890	0.1
89.56364	0.1
95.66736	0.1
98.02872	0.1
128.68201	0.1
130.94714	0.1
140.93303	0.1
246.15140	0.1
291.12531	0.5
292.09714	0.6
294.11588	0.1
307.12079	0.2
308.12784	11.8
319.08231	0.3
320.09061	1.6
320.12814	2.5
321.09845	1.1
322.10709	6.2
323.11511	0.5
334.10657	1.1
335.10864	0.9
336.12274	19.8
337.13049	29.8
338.13574	1.3
352.15421	100.0
353.15756	0.6
796.07886	0.1
852.33020	0.1
904.81201	0.1
944.55908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15543	0.3
72.44523	0.3
276.32376	0.3
290.08118	9.6
302.08093	3.4
304.06018	9.5
318.07584	12.2
319.08371	55.8
319.85129	0.3
320.09091	3.8
321.09647	0.8
322.10330	0.4
334.10709	100.0
335.11011	1.9
336.12274	3.2
946.31116	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27335	0.5
78.11510	0.4
83.10406	0.4
132.98672	0.5
262.48721	0.5
290.08072	11.1
302.08087	3.7
304.06018	9.8
308.09067	0.6
317.07269	0.7
318.07623	13.1
319.08395	55.6
320.08981	2.6
334.10730	100.0
335.10999	0.9
336.12033	2.5
342.19919	0.6
343.58444	0.5
451.91702	0.5
552.46301	0.6
946.31250	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
83.24957	0.2
84.01041	0.2
85.33267	0.2
88.22733	0.2
122.40302	0.2
276.06506	0.3
290.08099	9.8
302.08090	3.1
304.06015	9.7
304.09470	0.2
316.06104	0.2
318.03857	0.3
318.07593	12.8
319.08380	57.2
320.09113	4.4
334.10715	100.0
335.10947	0.7
336.12125	1.0
472.03644	0.2
946.31128	55.1
967.03491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94872	0.5
73.59826	0.5
80.65729	0.7
82.46494	0.6
83.76923	0.5
95.55791	0.6
112.96025	0.7
134.43449	0.6
137.05984	1.0
137.57581	0.7
167.07059	0.7
174.93027	0.5
242.18112	0.7
290.08075	9.3
302.08139	3.8
304.06055	9.3
318.07590	13.0
319.08380	54.2
320.09103	6.5
321.09695	1.3
334.10730	100.0
335.11252	2.5
336.12189	5.1
496.41058	0.6
835.78101	0.7
946.31152	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79890	0.2
137.05911	0.2
141.00566	0.2
273.07953	0.2
276.06418	0.3
290.08096	11.1
290.11356	0.4
291.32291	0.2
302.08090	3.2
303.08768	0.3
304.06015	10.0
315.30005	0.2
318.03793	0.3
318.07599	13.6
319.08374	56.1
321.52380	0.2
334.10715	100.0
451.14633	0.2
536.06042	0.2
637.35260	0.2
761.76245	0.2
946.31201	52.5
969.42859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.313
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04601	0.1
80.57000	0.2
127.02657	0.2
136.64607	0.2
183.85466	0.2
276.06583	0.7
290.08109	11.7
302.08096	3.2
304.06055	9.7
307.63864	0.2
318.03793	0.3
318.07602	13.7
319.08392	58.4
320.08997	0.3
334.10730	100.0
336.12424	0.3
910.67139	0.2
946.31232	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45557	0.2
83.32590	0.2
137.05899	0.2
273.07565	0.3
290.08078	10.8
302.08124	3.2
303.08728	0.3
304.06033	10.2
304.09552	0.4
318.07587	12.5
319.08380	55.2
334.10718	100.0
533.82178	0.2
946.31226	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
88.71958	0.2
92.37785	0.2
92.82497	0.2
116.70873	0.2
127.53569	0.2
137.05995	0.2
143.96233	0.2
167.06902	0.2
167.15517	0.2
276.06503	0.7
290.08112	9.6
302.08096	3.0
303.08652	0.2
304.06039	9.5
304.09552	0.3
318.03802	0.3
318.07599	12.2
319.08398	55.0
320.09073	0.9
321.09882	0.3
334.10724	100.0
335.11008	0.4
336.11975	0.9
946.31207	53.5
971.46625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
85.27826	0.4
239.40590	0.4
290.08124	8.0
302.08084	2.0
304.05991	9.4
310.07040	0.6
318.07559	10.4
319.08383	46.1
320.09097	5.4
321.09671	0.8
325.09344	4.0
334.10712	100.0
335.11075	6.5
336.12091	2.5
340.11710	5.2
352.15771	0.5
372.12244	0.6
418.12589	0.5
644.21216	0.9
748.18958	0.4
947.28241	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
85.27826	0.4
239.40590	0.4
290.08124	8.0
302.08084	2.0
304.05991	9.4
310.07040	0.6
318.07559	10.4
319.08383	46.1
320.09097	5.4
321.09671	0.8
325.09344	4.0
334.10712	100.0
335.11075	6.5
336.12091	2.5
340.11710	5.2
352.15771	0.5
372.12244	0.6
418.12589	0.5
644.21216	0.9
748.18958	0.4
947.28241	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.7491
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20390	0.1
67.05489	0.3
68.23743	0.2
69.07039	0.3
71.08620	1.3
75.04448	0.4
75.19210	0.2
77.80378	0.2
81.07036	0.7
83.08611	0.6
84.13451	0.2
85.02872	0.9
85.10143	1.2
87.04458	0.6
91.12036	0.2
95.08549	0.8
95.56165	0.2
96.95071	0.1
97.10148	0.3
109.10136	0.7
113.05992	1.3
113.74367	0.2
131.07008	0.7
144.10184	10.6
162.11287	1.8
189.73976	0.2
189.85341	0.2
200.12790	0.8
218.13922	0.8
236.14900	100.0
306.63760	0.2
313.27341	1.6
369.30038	1.0
412.37900	1.9
430.38962	0.2
456.36795	15.2
474.37866	94.0
531.52283	0.2
947.74902	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85562	0.2
86.09696	0.3
90.72642	0.3
93.20266	0.2
120.08045	0.5
137.05922	1.6
143.21120	0.3
149.90451	0.3
167.07050	2.0
214.35864	0.3
260.51080	0.3
290.08081	11.7
302.08060	3.3
304.06012	9.9
304.08908	0.3
318.07587	12.8
319.08371	58.5
320.09192	2.7
334.10709	100.0
335.11475	0.5
336.12170	1.2
563.74634	0.3
939.44110	0.4
948.34222	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06560	1.5
147.52399	0.4
167.06946	0.6
188.38533	0.4
200.41699	0.4
241.09035	0.4
267.14551	0.4
290.08139	10.8
302.08112	2.8
304.06021	8.9
318.07614	12.3
319.08383	57.7
320.09079	2.8
334.10727	100.0
336.12192	2.1
398.09009	0.5
632.01813	0.4
948.34247	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
91.41611	0.7
109.78048	0.7
117.42494	0.6
181.08678	3.6
199.07562	1.5
205.08633	2.9
290.08075	11.7
292.09457	0.8
302.08212	2.7
304.06009	9.3
318.07581	14.8
318.11020	0.8
319.08368	63.2
320.09091	10.6
321.10254	3.7
322.10541	1.0
334.10718	100.0
335.11322	1.1
336.12268	66.9
367.15463	4.7
427.17487	1.1
585.67108	0.8
797.51862	1.1
948.33997	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21016	0.7
125.28716	0.5
176.01212	0.5
290.08099	12.3
302.08130	4.1
304.06018	10.9
318.07611	16.0
319.08380	58.4
320.09052	3.1
321.09357	0.6
334.10718	100.0
336.12247	10.7
337.12262	0.7
349.10300	0.5
354.05402	0.5
584.46576	0.6
595.18103	0.6
645.21753	0.8
887.98633	0.6
948.34290	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
85.56232	0.2
100.15218	0.2
110.87014	0.2
125.89915	0.2
137.63699	0.2
139.05104	0.2
171.03775	0.2
176.16618	0.2
290.08078	0.3
292.09668	3.0
318.07544	0.8
320.09164	100.0
321.09601	0.3
334.10779	0.5
336.12280	0.9
630.42389	0.2
896.25549	0.2
948.34375	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.7188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	5.6
71.08642	17.8
72.29802	2.0
73.06554	5.0
83.08621	2.0
85.10179	12.1
85.69376	2.2
87.04475	10.8
89.06032	51.4
92.21244	2.5
97.10201	2.8
107.01851	2.4
117.09204	2.7
130.43266	2.0
133.04128	2.4
133.08566	13.8
177.11246	10.4
319.89969	2.4
320.09122	3.4
336.12360	4.3
404.14078	2.2
564.71136	2.9
589.48389	4.8
678.83795	2.8
740.39227	2.6
931.69843	19.4
948.72046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	29.2
69.03429	1.3
69.07068	5.7
79.05500	24.3
81.03431	2.0
81.07063	35.5
83.04967	2.2
83.08625	4.9
85.06544	2.6
91.03932	1.6
91.05481	27.9
93.07049	24.0
95.04959	5.3
95.08620	18.7
97.06533	2.1
97.10169	11.8
99.15784	1.1
99.43002	1.2
105.07043	18.8
107.04951	5.1
107.08595	18.8
109.06529	14.1
109.10165	13.3
111.08058	1.4
117.07035	18.6
117.55533	1.2
119.08578	28.2
121.06476	1.2
121.10133	10.0
123.11709	2.3
123.98032	1.1
125.09650	8.4
128.06137	1.3
129.07007	10.2
131.08572	30.3
133.10110	6.8
135.08076	9.2
135.11702	3.0
143.08559	14.0
145.06487	2.3
145.10120	20.5
147.08055	26.8
147.11681	2.9
149.09615	1.9
149.13226	1.8
155.08546	1.7
157.10103	13.1
159.11679	11.3
161.09622	7.9
161.13165	1.4
161.87555	1.2
163.11150	3.1
168.41443	1.2
169.10155	2.5
171.11717	2.8
173.13235	6.0
175.11221	6.2
181.10184	1.9
183.11700	4.5
185.13234	2.0
187.11143	1.4
189.11244	2.0
199.14879	2.5
201.12766	7.3
217.15886	6.2
227.12798	5.9
255.17502	2.7
273.18472	42.3
293.11890	1.3
334.10748	2.3
335.25775	16.2
347.22156	32.6
607.43628	100.0
625.44653	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	25.0
69.07064	6.2
79.05489	25.3
81.07058	38.2
83.04978	2.3
83.08624	6.8
85.06565	5.5
91.05481	40.4
92.21557	1.3
93.07037	22.9
95.04964	5.1
95.08602	21.5
97.06534	2.4
97.10205	5.6
104.27470	1.1
105.07030	19.4
107.04974	5.2
107.08603	20.6
109.06520	20.2
109.10136	14.1
117.07014	22.0
119.08578	24.9
121.06493	1.4
121.10152	9.9
123.08059	2.0
125.09653	5.2
129.06979	14.2
131.08569	24.8
133.06445	1.3
133.10135	10.5
135.08038	7.1
135.11697	4.6
137.09636	1.6
141.07024	2.1
143.08575	14.4
145.06549	2.6
145.10126	25.4
147.08069	26.5
147.11699	6.1
149.09645	1.4
149.13222	2.9
155.08517	5.7
157.10136	18.3
159.07986	2.0
159.11664	11.3
161.09605	9.8
163.11183	1.6
169.10229	2.1
171.11673	6.1
173.09605	5.8
173.13232	7.0
175.11127	8.7
183.11697	10.1
185.09557	1.3
188.40535	1.3
195.11642	1.3
197.13235	1.9
197.55124	1.4
199.11172	1.5
199.14824	7.4
201.12675	8.9
217.15868	13.0
227.12639	2.6
227.17856	2.4
255.17461	8.9
273.18466	35.8
320.09180	8.5
335.25763	19.9
338.93631	1.4
347.22113	43.1
365.23209	2.1
428.13907	1.3
553.38873	1.5
607.43579	100.0
625.44617	69.7
630.58563	1.3
784.98767	1.4
847.73657	1.4
949.53217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37032	0.5
74.57162	0.6
86.09709	17.9
104.10744	70.3
125.00008	5.8
163.01495	0.7
184.07338	100.0
193.33757	0.6
194.61304	0.5
250.06223	0.7
251.47025	0.7
279.91827	0.6
313.27341	2.8
320.09091	2.1
478.32904	2.7
496.33957	66.7
497.34137	0.8
584.48828	0.6
785.92725	0.7
894.80334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
109.48658	0.2
137.05956	0.3
143.01810	0.2
143.30070	0.2
164.63248	0.2
187.06389	0.2
194.16150	0.3
198.48326	0.3
252.41701	0.2
290.08118	10.6
302.08072	3.9
304.06027	10.8
318.07614	14.6
319.08386	59.1
320.08997	2.3
321.09613	1.2
322.10526	0.3
334.10724	100.0
335.11005	1.3
336.12167	1.2
753.23669	0.3
950.32178	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
109.48658	0.2
137.05956	0.3
143.01810	0.2
143.30070	0.2
164.63248	0.2
187.06389	0.2
194.16150	0.3
198.48326	0.3
252.41701	0.2
290.08118	10.6
302.08072	3.9
304.06027	10.8
318.07614	14.6
319.08386	59.1
320.08997	2.3
321.09613	1.2
322.10526	0.3
334.10724	100.0
335.11005	1.3
336.12167	1.2
753.23669	0.3
950.32178	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
109.48658	0.2
137.05956	0.3
143.01810	0.2
143.30070	0.2
164.63248	0.2
187.06389	0.2
194.16150	0.3
198.48326	0.3
252.41701	0.2
290.08118	10.6
302.08072	3.9
304.06027	10.8
318.07614	14.6
319.08386	59.1
320.08997	2.3
321.09613	1.2
322.10526	0.3
334.10724	100.0
335.11005	1.3
336.12167	1.2
753.23669	0.3
950.32178	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38250	0.2
68.62286	0.2
72.72826	0.2
85.93671	0.2
92.20879	0.3
111.25880	0.2
167.07002	5.6
225.14275	0.2
237.93135	0.2
273.07639	0.2
276.06458	0.9
290.08069	8.9
292.09781	0.3
302.08109	1.9
303.19952	0.2
304.06006	8.5
304.09506	0.3
304.19260	0.2
309.09482	0.2
318.07565	11.2
319.08362	50.3
320.09128	14.8
321.09634	1.0
322.10767	0.3
334.10699	100.0
335.11029	1.0
336.12247	1.4
383.79178	0.2
473.99597	0.2
512.17145	0.2
615.47198	0.2
696.61395	0.2
774.13068	0.2
950.32129	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15690	0.2
70.72095	0.2
74.62501	0.2
92.77992	0.2
103.79094	0.1
117.11192	0.2
284.83084	0.2
292.09589	2.6
302.46243	0.2
304.06012	0.2
318.07755	0.3
319.08484	0.4
320.09164	100.0
321.09512	3.7
322.10013	1.2
334.10849	1.6
336.12399	0.8
340.60965	0.2
358.14542	0.2
773.19067	0.2
950.36023	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21130	0.2
74.64390	0.1
86.99606	0.2
113.32653	0.2
131.73773	0.1
142.56573	0.2
148.69641	0.2
292.09583	2.2
318.07739	0.6
319.08252	0.4
320.09161	100.0
321.09561	2.2
322.10443	0.9
334.10672	1.0
336.12283	1.9
426.92844	0.1
525.08606	0.2
950.35962	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16512	0.2
83.61895	0.3
104.87132	0.2
110.78296	0.3
113.86134	0.3
140.98526	0.3
144.21001	0.3
180.93071	0.3
290.08066	1.2
292.09647	3.6
304.06134	1.1
318.07565	1.3
319.08377	6.1
320.09174	100.0
321.09729	2.0
322.10663	0.5
334.10727	15.7
335.11249	0.3
336.12277	5.4
415.77692	0.3
479.99271	0.3
516.16058	0.4
828.38904	0.3
906.37170	5.1
950.33496	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32957	0.1
83.83112	0.1
86.20365	0.1
114.10364	0.1
131.96918	0.1
145.22516	0.1
167.06836	0.6
175.03749	0.1
207.06514	0.2
290.05029	0.2
290.08112	4.6
302.08118	1.2
303.08801	0.1
304.06052	4.8
304.09500	0.2
318.07602	5.7
318.11093	0.2
319.08398	33.3
320.08908	1.4
321.09329	0.2
330.33566	0.1
334.10736	100.0
335.11053	0.8
336.12213	1.7
338.13666	0.2
759.06097	0.1
950.43225	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.416
Annotation	Unknow
Peak:m/z	Relative Intensity
104.98634	0.1
114.52884	0.1
149.05838	0.2
152.24504	0.1
188.06972	0.6
189.07768	0.3
206.08075	0.2
207.06441	0.3
287.62738	0.1
290.04965	0.2
290.08109	5.0
292.09930	0.2
302.08255	0.9
304.06039	4.1
318.07632	5.8
319.08398	31.1
320.09177	5.2
324.12180	0.2
334.10739	100.0
335.10995	0.2
336.12140	0.6
342.13113	0.2
402.09714	0.2
410.06659	0.3
428.07510	0.2
667.99017	0.2
732.70685	0.2
950.42163	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08144	0.2
76.72255	0.1
81.43777	0.1
85.02870	0.1
89.86147	0.1
97.02936	0.1
117.41559	0.1
119.61256	0.1
195.04381	0.2
223.07497	1.2
225.09026	0.2
227.06966	1.0
233.05869	0.2
251.07019	4.5
253.05031	0.3
253.08536	0.8
255.10057	0.2
265.08624	0.1
268.07288	1.7
269.08041	1.7
271.09631	0.6
279.06519	9.9
280.06970	0.1
283.09689	1.0
285.07407	0.1
296.06802	7.7
297.07559	0.7
303.05008	7.1
311.09131	100.0
356.14920	52.7
465.09741	0.2
481.96869	0.2
531.35291	0.1
555.32532	0.2
972.83167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08144	0.2
76.72255	0.1
81.43777	0.1
85.02870	0.1
89.86147	0.1
97.02936	0.1
117.41559	0.1
119.61256	0.1
195.04381	0.2
223.07497	1.2
225.09026	0.2
227.06966	1.0
233.05869	0.2
251.07019	4.5
253.05031	0.3
253.08536	0.8
255.10057	0.2
265.08624	0.1
268.07288	1.7
269.08041	1.7
271.09631	0.6
279.06519	9.9
280.06970	0.1
283.09689	1.0
285.07407	0.1
296.06802	7.7
297.07559	0.7
303.05008	7.1
311.09131	100.0
356.14920	52.7
465.09741	0.2
481.96869	0.2
531.35291	0.1
555.32532	0.2
972.83167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21589	0.4
100.73302	0.2
103.19301	0.2
111.00780	0.2
133.01027	0.2
138.99702	0.2
182.26154	0.2
255.20761	0.2
287.67542	0.2
290.08090	9.4
302.08023	2.7
304.06033	7.5
318.07602	11.7
319.08389	54.0
320.09045	1.2
334.10733	100.0
336.12247	1.1
374.10419	0.3
435.12683	0.3
528.94446	0.2
952.33813	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55294	0.2
76.74696	0.2
92.21512	0.2
184.69994	0.2
214.40120	0.2
215.10103	0.2
276.06479	0.3
290.08112	8.2
291.08478	0.3
302.08231	2.7
303.08646	0.2
304.06030	7.9
304.09341	0.3
306.07434	0.2
318.07623	11.3
319.08401	51.0
320.09091	9.6
321.09210	1.2
322.10468	0.7
323.11481	0.2
334.10745	100.0
335.07715	0.5
335.11111	3.1
336.12048	3.2
337.13239	0.3
337.63162	0.2
338.13736	0.3
350.10233	0.8
436.32617	0.2
477.48288	0.3
496.25214	0.3
952.33765	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
147.04352	0.5
183.88504	0.4
207.06590	0.5
223.06052	0.5
246.35658	0.4
276.06403	0.4
290.08081	10.9
292.09686	2.2
294.11151	0.4
302.08237	2.6
304.06033	9.5
318.07648	13.5
319.08392	52.2
320.09167	57.3
322.10709	3.2
323.11578	0.5
324.12402	0.7
334.10730	100.0
335.11047	3.4
336.12225	4.5
337.12759	0.5
338.13620	1.5
352.15826	0.4
386.10559	0.6
576.86755	0.5
952.33807	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
146.25294	0.2
149.70842	0.2
202.04935	0.2
219.06128	0.2
235.71271	0.2
261.63470	0.2
276.06619	0.2
276.81161	0.2
290.08109	7.6
291.08368	0.3
302.08096	2.2
303.08813	0.3
304.06030	7.2
304.09161	0.3
305.06479	0.9
318.03845	0.5
318.07593	11.2
319.08380	50.8
320.08862	6.6
321.08969	1.7
334.10727	100.0
335.11047	12.7
336.11353	6.1
513.27533	0.2
917.11255	0.3
952.33362	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07074	1.0
85.02921	1.8
93.06985	0.8
99.04449	3.9
130.23813	0.9
135.54517	0.9
159.85931	1.0
336.12387	1.8
409.16272	1.0
415.34265	1.0
433.23630	2.0
434.24573	1.3
447.21970	1.5
459.21414	8.5
460.22449	8.0
461.23349	12.2
470.78348	1.0
473.23398	8.4
474.24033	1.2
487.25211	4.3
505.22626	1.4
515.24512	1.3
519.24036	3.9
533.25378	13.4
547.27100	1.4
551.60071	1.0
575.26849	2.0
593.27814	4.9
631.29004	6.0
633.30652	1.8
733.33075	1.1
775.32935	7.9
777.00238	1.1
791.33704	4.1
817.34412	2.0
835.34943	5.0
953.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07349	0.6
86.09704	15.9
93.15182	0.5
104.10744	1.0
118.48784	0.5
123.71012	0.5
125.00006	7.4
184.07336	100.0
224.33557	0.5
242.96603	0.5
334.10413	0.6
354.96469	0.5
444.44083	0.6
502.32889	0.8
520.26147	1.0
520.34033	32.5
678.82941	0.6
831.90082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	7.1
68.99027	0.7
69.07063	3.8
75.89510	0.7
79.05548	0.8
81.07059	8.0
83.08633	1.7
91.05472	1.4
93.07034	3.4
95.08606	7.2
98.98458	1.3
104.10737	3.3
107.08597	1.3
107.54082	0.7
109.10156	4.8
109.10863	0.8
112.13239	0.7
119.08579	0.9
121.10149	3.1
123.11722	1.8
131.53172	0.7
133.10147	1.1
135.11655	1.0
147.11703	0.8
149.13290	1.0
155.01074	0.9
184.07339	3.2
263.23721	0.9
306.27948	8.2
337.27338	32.5
383.34946	0.9
388.06033	0.9
460.28214	17.7
478.29279	100.0
521.33960	0.9
621.66901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31392	0.1
71.48915	0.1
89.69098	0.2
113.40907	0.1
172.16602	0.1
237.62396	0.2
273.07864	0.2
276.06583	0.2
290.08081	10.6
302.08102	3.0
303.08780	0.2
304.06003	8.3
305.06656	0.1
318.07559	12.3
319.08365	56.2
320.09018	0.8
334.10699	100.0
335.11151	0.6
336.11743	0.2
386.10214	0.2
698.97815	0.2
886.21436	0.2
956.33228	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
79.88223	0.5
139.86690	0.6
265.92072	0.6
290.08051	12.0
302.08160	3.4
304.06039	8.8
308.08966	0.7
318.07593	12.9
319.08395	52.8
320.09305	3.4
323.20386	0.6
334.10739	100.0
335.07785	1.0
335.11133	2.4
336.12268	2.4
350.10400	2.8
780.64368	0.7
956.33093	55.3
992.06433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
73.75192	0.3
76.40641	0.4
77.68238	0.4
92.20937	0.6
97.72202	0.3
131.21973	0.5
167.06993	0.4
195.24495	0.4
249.36797	0.4
290.08105	12.5
302.08148	3.0
304.06055	11.3
304.09036	0.4
318.07608	12.9
319.08395	59.9
320.09146	6.8
321.09659	0.7
323.11386	1.7
334.10745	100.0
335.11118	2.8
336.12122	5.0
337.12592	3.9
338.13626	4.3
571.96179	0.4
956.33606	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
85.83826	0.7
87.62151	0.6
87.62808	0.8
115.99579	0.7
182.40701	0.7
197.50047	0.8
210.90492	0.8
271.64536	0.9
290.08081	10.4
292.06992	0.9
292.10086	0.9
302.08228	1.8
304.05911	8.7
307.08463	1.0
309.11301	1.3
318.07629	12.7
319.08395	55.8
320.09091	18.2
321.09570	7.5
322.10602	18.3
334.10721	100.0
335.11206	3.6
336.12283	4.9
610.18665	0.9
686.74939	0.8
707.31592	0.9
956.33429	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.3
79.50200	0.2
81.03371	0.3
85.02843	0.2
91.05458	0.2
107.04914	0.9
109.02829	0.3
114.69448	0.2
123.04416	0.3
137.05962	0.5
147.82750	0.2
165.05450	0.8
167.07050	2.2
167.77774	0.2
175.03864	0.2
177.05396	1.0
179.03352	0.4
189.05527	0.3
191.07030	17.4
193.04964	4.3
205.04936	4.0
207.02904	1.4
207.06375	0.4
217.04968	4.6
219.82819	0.2
221.04448	2.1
223.05865	0.3
235.05927	0.4
245.20114	0.2
290.08154	3.1
292.09589	3.2
302.08182	1.1
304.05981	2.4
308.09137	1.5
310.24878	0.2
317.09677	0.3
318.07635	3.7
319.08395	15.6
320.09174	100.0
321.09763	0.3
322.10928	0.3
329.61298	0.2
334.10730	26.7
336.12363	1.0
336.83438	0.3
337.12781	0.3
368.08890	11.5
379.08011	0.9
379.14914	0.4
383.09924	1.5
386.10040	1.1
411.10666	3.5
429.11746	1.5
470.15759	0.4
513.17804	0.5
515.18829	0.3
530.14221	2.9
555.15021	0.5
572.64172	0.3
573.16144	3.7
632.21252	0.4
699.18274	0.4
735.21619	1.6
837.28558	0.3
871.87531	0.3
956.33313	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25145	0.5
88.92847	0.4
106.65990	0.5
150.77168	0.5
161.97957	0.6
242.54004	0.5
276.06598	0.7
290.08157	9.4
302.08081	2.5
304.06006	8.1
318.07571	12.0
319.08380	50.1
320.09299	4.0
334.10706	100.0
336.12271	2.2
359.35638	0.6
611.20575	0.6
915.44843	0.7
956.33337	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87857	0.3
80.00637	0.3
89.02215	0.3
173.24422	0.3
207.06522	0.4
290.08096	10.3
290.11249	0.5
302.08035	2.9
304.06036	9.1
318.07590	12.9
319.08368	57.8
320.09213	4.9
334.10712	100.0
335.10995	0.5
336.12164	1.4
337.12891	0.5
338.13907	0.6
352.15302	0.5
353.15851	0.4
374.10010	0.4
633.61981	0.4
956.33197	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
85.27109	0.3
86.00797	0.3
97.01873	0.3
100.41233	0.3
118.50114	0.3
124.48875	0.3
156.13957	0.3
188.03400	0.5
194.76662	0.4
207.06497	0.3
221.54184	0.3
276.06360	0.3
290.08078	9.1
302.08102	2.1
304.06018	7.7
315.64969	0.3
318.07584	11.3
319.08389	51.9
320.09109	3.3
321.09781	0.5
334.10736	100.0
335.11057	0.5
336.12277	2.3
375.97809	0.3
721.70166	0.3
912.16205	0.3
956.33276	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87857	0.3
80.00637	0.3
89.02215	0.3
173.24422	0.3
207.06522	0.4
290.08096	10.3
290.11249	0.5
302.08035	2.9
304.06036	9.1
318.07590	12.9
319.08368	57.8
320.09213	4.9
334.10712	100.0
335.10995	0.5
336.12164	1.4
337.12891	0.5
338.13907	0.6
352.15302	0.5
353.15851	0.4
374.10010	0.4
633.61981	0.4
956.33197	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84904	0.2
89.79608	0.1
96.57776	0.2
112.98965	0.1
147.47653	0.2
273.07516	0.3
276.06616	0.7
290.08081	11.3
291.08505	0.2
292.09692	0.2
294.11337	0.8
302.08109	3.3
303.08835	0.3
304.06012	10.6
318.07593	15.6
319.08371	59.2
320.09030	6.5
321.09357	0.9
322.10751	1.1
323.11435	2.0
334.10718	100.0
335.11060	3.4
336.11853	3.6
337.12427	1.8
338.13831	7.9
432.94894	0.2
488.17090	0.3
638.23523	0.2
666.23413	0.3
680.25153	0.3
694.26434	0.3
696.27759	0.7
926.33209	0.2
941.83398	0.2
956.33789	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53452	0.4
67.89578	0.4
71.35185	0.4
75.32145	0.4
107.99184	0.4
183.05319	0.5
212.50938	0.5
290.08090	9.8
302.07938	1.8
304.06021	7.2
318.07593	11.3
319.08374	52.7
320.09024	2.9
334.10721	100.0
335.11069	0.5
336.12076	0.5
343.93439	0.5
379.28345	0.5
631.65521	0.6
877.19409	0.6
956.33307	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
85.83826	0.7
87.62151	0.6
87.62808	0.8
115.99579	0.7
182.40701	0.7
197.50047	0.8
210.90492	0.8
271.64536	0.9
290.08081	10.4
292.06992	0.9
292.10086	0.9
302.08228	1.8
304.05911	8.7
307.08463	1.0
309.11301	1.3
318.07629	12.7
319.08395	55.8
320.09091	18.2
321.09570	7.5
322.10602	18.3
334.10721	100.0
335.11206	3.6
336.12283	4.9
610.18665	0.9
686.74939	0.8
707.31592	0.9
956.33429	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
79.88223	0.5
139.86690	0.6
265.92072	0.6
290.08051	12.0
302.08160	3.4
304.06039	8.8
308.08966	0.7
318.07593	12.9
319.08395	52.8
320.09305	3.4
323.20386	0.6
334.10739	100.0
335.07785	1.0
335.11133	2.4
336.12268	2.4
350.10400	2.8
780.64368	0.7
956.33093	55.3
992.06433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
110.17731	0.1
183.43892	0.2
248.13234	0.2
273.07809	0.2
276.06537	0.2
290.08087	10.6
292.09610	0.2
302.08109	4.1
304.06018	10.4
307.08200	0.8
318.03772	0.3
318.07596	13.2
319.08383	59.4
320.09140	4.9
321.09470	0.3
322.10739	5.4
334.10718	100.0
335.10953	0.2
336.12173	0.7
386.10455	0.2
412.44110	0.2
566.31512	0.2
646.73578	0.2
956.33258	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
84.23172	0.4
103.15608	0.4
105.07002	0.5
116.05682	0.4
119.60759	0.3
174.05421	0.7
265.45163	0.3
268.78995	0.4
276.06299	0.5
290.08051	4.2
302.08075	1.3
304.06033	4.0
304.09280	0.5
308.08994	0.5
318.07587	5.3
319.08401	31.7
319.88983	0.4
320.09109	4.9
322.10654	0.5
323.11548	0.6
334.10724	100.0
335.11020	0.7
336.12341	0.7
367.11514	0.5
370.07404	0.4
386.10349	3.7
388.08279	0.7
404.11176	2.0
496.13858	0.6
500.13171	0.4
512.17108	0.6
540.16266	2.8
572.65179	0.4
672.20526	4.3
834.26135	3.5
956.33051	55.4
972.59076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.7
74.46702	0.4
81.03390	0.6
83.05104	0.4
85.02905	7.0
87.04482	0.6
91.03938	0.5
97.02881	2.0
107.04949	45.0
121.06470	0.9
123.04410	6.7
127.03949	1.0
143.04913	3.1
145.06491	6.0
149.05933	1.1
161.05971	21.9
164.07045	4.7
173.32864	0.5
175.35414	0.6
180.45316	0.5
209.09630	0.6
237.09111	3.0
254.11748	0.5
255.10138	71.3
272.12784	36.4
314.13840	0.6
434.18069	100.0
493.96091	0.6
509.80676	0.5
641.42035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
78.79793	0.2
86.73662	0.2
105.22366	0.2
113.71510	0.2
120.56758	0.2
122.84753	0.2
276.06342	0.3
290.08102	10.2
302.08173	2.6
304.02747	0.4
304.06033	7.8
318.07599	13.1
319.08380	44.5
320.09076	0.4
321.09875	0.5
334.10721	100.0
336.12381	2.5
352.15625	0.5
670.24011	0.3
956.15277	0.6
956.34808	16.6
956.50897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95747	0.2
81.76056	0.3
85.72554	0.3
95.72610	0.4
276.06378	0.4
279.02222	0.3
290.08084	10.2
290.11267	0.4
302.08148	2.8
304.05997	8.4
318.07626	12.3
319.08395	43.9
321.10043	0.5
334.10733	100.0
336.12424	2.9
938.51025	0.4
956.34912	14.6
956.52258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	34.9
68.70142	5.2
69.07061	12.1
69.94065	5.1
70.21718	5.3
73.84013	5.4
74.33918	5.3
76.99223	4.8
79.05504	11.9
81.07079	52.6
81.22829	5.0
83.08620	8.6
85.00858	4.5
85.02911	7.1
86.94866	5.3
91.05457	9.4
93.07031	10.1
95.08612	41.4
107.08584	9.5
109.10163	11.1
118.82199	6.0
119.08549	9.5
121.10129	11.7
131.08543	8.9
195.06442	6.4
261.22076	6.6
279.61542	6.3
319.08627	7.1
335.25830	37.3
336.12234	32.1
337.27365	32.4
597.48572	26.0
615.49957	100.0
618.01404	6.2
956.56506	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99294	0.1
137.29680	0.1
272.36850	0.1
275.09436	0.2
278.08118	0.2
291.08984	0.2
292.09659	9.2
304.09680	1.6
305.10474	0.1
306.07605	2.8
308.12546	0.1
320.09186	11.7
321.09952	26.8
334.10599	0.2
336.12289	100.0
337.12509	0.4
352.15454	0.2
623.79858	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
72.87655	0.2
74.47508	0.2
81.07042	0.3
84.56792	0.2
91.05460	0.2
93.06997	0.2
95.08613	0.3
97.10218	0.2
107.08646	0.3
159.79976	0.2
165.72974	0.2
169.10101	0.3
214.49213	0.2
218.41016	0.2
285.01410	0.2
290.08096	0.9
292.09644	9.8
302.08078	0.4
304.06183	0.7
304.09741	1.5
306.07599	3.1
308.12762	2.6
318.07727	1.6
319.08401	7.4
320.05359	0.5
320.09161	14.1
321.09943	25.3
322.10501	1.7
334.10733	15.9
335.11157	0.3
336.12289	100.0
337.12964	6.2
350.13910	0.3
352.15424	19.9
581.42047	1.5
642.77814	0.2
958.36298	1.2
958.54370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.364
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05579	0.1
74.44473	0.1
76.96036	0.1
84.24349	0.1
160.96066	0.1
223.12737	0.1
278.08121	0.2
291.08743	0.2
292.09653	10.4
304.06155	0.2
304.09573	1.6
305.10559	0.1
306.07596	3.6
318.07220	0.1
319.08362	1.0
320.09164	11.8
321.09949	27.6
334.10687	1.6
335.11063	1.0
336.12283	100.0
337.12979	0.3
352.15344	0.9
958.35449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
87.11173	0.1
95.97633	0.1
101.39730	0.1
109.29955	0.1
124.60178	0.1
144.88162	0.1
146.62106	0.1
183.05147	0.1
275.09369	0.2
278.08246	0.3
291.09042	0.1
292.09634	10.3
304.09653	1.6
306.07571	3.6
306.10272	0.1
307.08356	0.2
320.03714	0.1
320.09152	11.6
321.09930	28.2
330.74896	0.1
334.10910	0.1
336.12268	100.0
631.42920	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
87.87212	0.1
114.38297	0.1
149.85616	0.1
207.96454	0.1
218.00061	0.1
225.49303	0.1
235.55447	0.1
275.09357	0.3
278.07916	0.2
291.08847	0.1
292.09647	10.1
304.09671	1.9
305.10397	0.3
306.07623	2.9
307.08298	0.2
320.09174	12.5
321.09946	27.3
334.10657	0.1
336.12283	100.0
337.12814	0.1
958.52441	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	49.2
69.07067	31.6
71.08624	3.9
73.02882	3.9
79.05499	8.8
81.07061	82.4
82.66275	3.7
83.08651	30.3
85.02900	6.4
85.10175	4.7
90.15737	3.4
91.03954	8.2
91.05479	8.1
93.07035	21.3
95.08607	97.9
97.02897	6.1
97.06547	4.5
97.10168	16.4
105.07057	4.5
107.08589	16.3
109.10161	65.9
111.08057	5.3
119.08583	7.1
121.10142	32.1
123.11684	35.2
125.09582	4.5
127.03928	4.0
132.59651	3.5
133.10182	26.6
135.11696	21.1
137.09619	4.4
137.13248	21.0
138.17046	3.4
139.11316	3.1
147.11658	22.1
149.13309	7.8
151.14807	7.0
161.13182	27.5
163.06053	5.9
163.14827	23.4
165.16437	6.4
175.14818	20.4
179.17972	6.0
245.22667	54.0
263.23703	100.0
280.26355	49.8
321.09866	4.2
336.12253	4.2
337.27347	59.5
355.28412	84.8
479.46497	4.0
499.32648	25.3
661.37671	4.7
747.72131	4.2
759.83063	4.0
779.65607	4.5
824.82599	4.1
970.98413	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	48.3
69.07065	33.8
71.04992	3.0
71.08620	5.4
71.12949	2.6
73.02937	3.0
79.05483	12.2
80.45596	2.7
81.07067	74.3
83.08626	27.9
85.02901	13.3
91.03947	13.3
91.05483	5.7
93.07049	18.9
95.08611	83.5
97.06521	4.1
97.10169	21.9
105.07040	6.8
107.08584	23.0
109.10157	60.6
111.08045	4.9
111.11721	4.0
119.08565	15.5
121.10113	32.7
123.11698	27.6
133.10115	27.4
135.11690	15.1
137.09596	4.9
137.13264	12.2
145.04999	3.1
147.11670	15.1
149.13246	12.5
151.14842	11.2
156.18863	3.5
161.13234	24.5
163.05937	3.7
163.14821	15.8
165.16318	5.1
175.14812	13.5
177.16321	2.8
179.17888	5.4
189.16408	5.6
196.75208	2.9
219.21158	4.0
245.22643	57.1
263.23694	100.0
280.26340	43.1
320.08997	3.4
336.12253	4.4
337.27380	57.0
355.28412	68.6
499.32346	16.8
556.82843	3.9
661.38397	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	41.5
69.07069	25.6
71.08607	3.3
79.05489	15.7
81.07055	56.0
83.08616	17.9
85.02920	13.1
90.54062	2.5
91.03968	5.7
91.05472	6.0
93.07030	17.6
95.08598	45.8
97.02884	6.1
97.10166	13.0
105.07030	10.4
107.08591	17.3
109.10186	28.9
119.08582	5.5
121.10139	19.4
123.11699	10.2
131.08554	3.2
133.10143	6.1
135.11700	12.1
147.11748	9.2
149.13243	5.7
161.13268	3.3
163.06038	3.3
163.14880	3.1
243.21144	2.8
261.22092	3.7
263.23709	6.4
308.22574	3.1
320.09277	4.8
335.25699	11.7
336.12234	3.6
337.27383	78.0
339.28802	12.3
362.84930	2.7
599.50317	41.9
617.42133	4.8
617.51379	100.0
759.83539	3.6
825.11853	3.1
958.54541	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
75.76418	0.1
75.88412	0.1
77.39416	0.2
126.92672	0.1
278.07858	0.2
291.08316	0.2
292.09692	8.5
292.12967	0.3
293.10117	0.6
304.09671	1.6
306.07611	2.8
307.08212	0.2
307.11771	0.2
308.12729	4.5
309.13110	0.3
320.09213	10.6
320.12695	0.7
321.09946	25.6
322.10504	3.4
323.11133	0.7
335.10928	0.2
336.12292	100.0
337.12918	16.8
338.13266	2.8
339.13699	0.2
352.15427	37.2
353.15778	3.1
354.16150	1.1
365.84146	0.2
558.22144	0.2
960.57849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07095	2.0
85.02919	4.2
91.03952	2.7
95.08704	1.6
97.02934	2.8
98.09310	1.5
113.70722	1.6
141.91063	1.5
178.09329	1.7
227.21255	1.9
336.12390	3.2
365.10974	2.0
368.57117	2.1
405.13974	3.4
503.83578	2.2
519.29608	6.9
521.30750	3.7
648.57422	2.3
683.36053	1.9
961.58466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
73.28041	0.3
86.21104	0.2
107.83136	0.2
123.28153	0.2
149.21249	0.2
290.05014	0.4
290.08121	9.4
302.08200	3.0
304.06024	8.0
304.09528	0.4
318.03833	0.4
318.07608	12.7
319.08383	50.2
320.09174	5.6
321.09564	0.3
334.10721	100.0
336.12466	0.3
343.89767	0.2
463.90179	0.3
562.18982	0.3
580.11902	0.3
671.18848	0.3
717.57843	0.3
725.72418	0.3
755.47961	0.3
784.50641	0.3
822.29449	0.3
962.36041	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.36
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96825	0.2
85.73656	0.2
93.99371	0.3
105.46121	0.3
120.97422	0.2
290.08130	8.7
302.08084	2.9
304.05997	8.1
318.07599	12.5
319.08392	52.0
320.09167	7.1
321.09390	0.4
334.10733	100.0
336.12314	1.1
550.43390	0.3
771.07867	0.3
930.32233	0.3
962.36011	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	17.6
69.06710	0.6
69.07069	14.7
71.04995	0.6
79.05493	5.4
81.07061	23.9
83.04987	0.6
83.08620	12.5
85.06531	0.9
91.05480	3.2
93.07050	8.0
95.08605	20.4
97.06531	2.0
97.10169	7.0
99.08117	0.7
105.07036	2.9
107.08604	5.5
109.10155	11.5
111.08056	1.0
111.11704	2.0
113.09599	0.6
119.08587	3.5
121.10147	5.6
123.08082	0.5
123.11703	6.6
124.73684	0.4
125.09640	0.8
133.10141	5.5
135.11662	3.5
137.09558	0.7
137.13266	2.3
143.82439	0.4
147.11696	2.5
149.13258	1.7
151.14767	0.8
161.13232	2.8
163.14882	0.9
175.14830	2.1
177.16447	0.5
179.14140	0.4
189.16246	0.4
245.22635	1.4
263.23639	2.5
306.28015	3.8
320.08975	0.4
335.61151	0.4
336.12076	0.4
337.27344	100.0
460.28055	2.0
478.29279	42.2
595.36035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05164	5.1
67.05507	17.2
69.03407	1.4
69.07056	2.4
71.08639	9.1
75.15157	1.3
79.05503	10.2
80.39478	1.2
81.07065	15.7
83.05013	1.2
83.08620	10.6
85.10177	5.4
90.61348	1.3
91.05486	17.5
93.07037	7.5
95.04965	2.9
95.08599	12.1
97.06561	1.3
97.10168	17.3
105.07030	9.5
107.04955	2.3
107.08605	11.7
109.02905	1.4
109.06542	1.4
109.10145	10.5
117.07041	6.9
119.08584	21.4
121.06472	1.2
121.10137	2.6
125.09644	19.5
129.06985	4.7
131.08568	21.5
133.10153	1.6
135.08052	5.2
135.11766	1.9
140.94897	1.2
143.08549	12.6
145.06537	1.5
145.10141	22.0
147.08060	20.3
147.11699	1.4
155.27747	1.2
157.10146	4.6
158.81717	1.3
159.11694	2.9
161.09584	2.9
171.10204	2.3
171.11624	4.6
173.09579	2.0
185.09595	1.7
185.13162	1.5
189.11217	12.0
225.73686	1.2
227.12775	33.0
245.18980	1.5
246.81061	1.3
273.18457	35.6
313.27380	16.8
336.12445	1.5
347.22116	10.6
362.81860	1.3
396.88095	1.3
585.45142	63.8
603.46240	100.0
739.83667	1.5
747.13953	1.5
962.47443	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.7249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53262	0.8
100.38829	0.6
110.79315	0.6
146.85204	0.7
202.38168	0.7
374.53635	0.9
375.28766	3.4
485.35995	100.0
501.35510	29.2
653.22925	1.0
828.15393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
82.88296	0.3
93.50389	0.2
101.08635	0.3
119.74424	0.3
141.56821	0.2
154.39676	0.3
167.07024	11.6
196.12560	0.3
201.60506	0.3
207.06464	0.5
290.08112	10.5
302.08014	2.9
304.06003	9.3
311.81903	0.3
318.07602	12.7
319.08377	57.4
320.09085	5.6
321.09473	0.5
334.10715	100.0
335.11124	1.1
336.12207	2.6
461.47849	0.3
964.33771	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81522	0.1
71.57861	0.1
80.36867	0.1
93.50043	0.1
97.13579	0.1
99.82848	0.1
102.91702	0.1
107.04890	0.1
118.42072	0.1
126.41255	0.1
155.17792	0.1
161.05960	0.2
167.07025	9.5
181.08455	0.2
192.10167	1.8
245.68204	0.1
252.56557	0.1
273.08078	0.2
290.08096	10.5
301.10773	0.2
302.08090	2.9
303.08823	0.3
304.06009	9.1
318.07587	13.1
319.08377	54.7
320.09116	2.5
334.10712	100.0
335.11224	0.3
336.12042	0.9
350.10229	0.2
356.18460	0.2
789.31641	0.2
826.62463	0.2
964.33789	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
82.86713	0.3
83.48212	0.3
85.02891	0.5
91.11377	0.3
93.07000	0.4
99.04384	0.3
102.98806	0.3
104.97753	0.3
107.08567	0.6
109.02842	0.3
111.67310	0.3
120.91314	0.3
129.70946	0.3
135.11588	0.5
137.42834	0.3
147.04349	0.3
148.93831	0.3
167.07030	9.7
175.03841	2.0
192.10184	4.7
204.45082	0.3
207.06538	4.1
219.48526	0.3
223.94058	0.3
255.73222	0.4
290.08099	9.0
302.08099	1.9
304.06015	7.5
318.07605	12.9
319.08383	53.7
320.09198	2.4
325.11447	0.4
334.10724	100.0
335.11130	1.2
336.12201	2.0
356.18433	0.5
370.25055	0.5
396.79108	0.4
422.75610	0.3
590.17352	0.4
775.19019	0.4
811.87067	0.4
964.33807	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47027	0.3
80.35665	0.3
85.02785	0.3
99.04369	0.3
136.47813	0.3
153.91335	0.3
167.07011	9.0
192.10065	0.6
208.84859	0.3
219.74489	0.4
234.89888	0.3
276.06412	0.5
290.08096	9.2
302.08002	3.2
302.10934	0.4
304.02759	0.5
304.05966	9.2
304.08929	0.3
318.03851	0.4
318.07553	13.0
319.08359	52.6
320.08966	3.5
321.09674	0.4
334.10687	100.0
335.11002	0.7
336.12250	2.5
344.62296	0.3
572.93573	0.3
964.33618	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81522	0.1
71.57861	0.1
80.36867	0.1
93.50043	0.1
97.13579	0.1
99.82848	0.1
102.91702	0.1
107.04890	0.1
118.42072	0.1
126.41255	0.1
155.17792	0.1
161.05960	0.2
167.07025	9.5
181.08455	0.2
192.10167	1.8
245.68204	0.1
252.56557	0.1
273.08078	0.2
290.08096	10.5
301.10773	0.2
302.08090	2.9
303.08823	0.3
304.06009	9.1
318.07587	13.1
319.08377	54.7
320.09116	2.5
334.10712	100.0
335.11224	0.3
336.12042	0.9
350.10229	0.2
356.18460	0.2
789.31641	0.2
826.62463	0.2
964.33789	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.1
72.73465	0.1
83.94092	0.1
92.06959	0.1
104.37817	0.1
113.40640	0.1
149.97231	0.1
169.76381	0.1
275.09247	0.2
278.08115	0.3
292.09683	7.2
302.29437	0.1
304.09686	1.3
306.07565	2.6
307.08347	0.2
318.07620	0.2
320.09167	10.1
321.09952	25.1
334.10767	0.7
336.12289	100.0
337.12607	0.2
347.15244	0.2
566.53540	0.1
611.69342	0.1
964.37128	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
79.49830	0.3
92.20735	0.4
97.28851	0.3
196.19788	0.4
235.78413	0.4
246.22954	0.4
266.85596	0.4
272.59396	0.3
272.98337	0.3
290.08160	0.4
292.09668	9.6
304.09595	1.3
306.07501	2.4
315.43912	0.4
318.07855	0.6
319.08258	3.1
320.09171	17.6
321.09927	26.9
334.10715	7.1
335.11115	2.6
336.12280	100.0
387.49301	0.4
409.91064	0.3
713.35663	0.4
735.76215	0.4
781.26868	0.4
825.45514	0.4
853.80939	0.5
964.37024	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05866	0.2
89.89465	0.2
98.40140	0.2
101.91296	0.2
110.72670	0.2
202.59023	0.2
290.08084	7.1
302.08054	2.4
304.06024	7.1
304.09525	0.2
318.07593	9.8
319.08386	44.9
334.10724	100.0
335.10983	0.3
336.12415	0.3
341.92020	0.2
400.37671	0.2
552.69714	0.2
761.31708	0.2
964.37616	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	13.5
69.07067	7.2
71.05010	1.7
71.08620	12.2
71.54872	1.3
72.63420	1.3
79.05486	6.6
79.26459	1.6
81.07059	14.6
82.22797	1.5
83.08618	9.9
85.02895	3.1
85.10184	11.7
91.03918	2.1
91.05463	12.2
93.07039	11.9
95.08593	24.4
97.02879	1.8
97.10165	10.8
105.07037	16.4
107.08599	23.0
109.06490	1.5
109.10174	14.4
117.06999	11.5
119.08559	15.6
121.06538	1.7
121.10139	5.7
123.11677	1.8
125.09609	3.5
129.06972	3.1
131.08575	16.6
133.10112	14.7
135.11678	2.1
143.08551	6.7
145.10117	19.2
147.11681	9.8
149.09573	2.4
157.10083	6.5
159.11697	15.0
161.13246	2.2
163.11133	2.6
171.11617	3.1
173.13191	7.2
175.14828	1.7
177.12784	1.5
183.11670	2.4
185.13268	12.3
197.13258	1.6
199.14813	2.4
203.14246	3.2
211.14899	1.5
217.15771	2.1
219.17368	3.6
227.12770	9.1
229.14326	3.2
239.18092	2.5
257.18942	9.0
275.20023	18.7
313.27341	56.4
314.27731	1.9
331.22589	6.5
336.12393	2.0
349.23660	28.1
459.79123	1.6
467.37198	2.8
547.43353	8.2
569.45099	3.5
586.45300	1.8
587.46631	100.0
604.46722	2.0
605.47870	10.8
680.13818	1.6
713.49548	1.7
749.51599	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29340	0.1
78.58224	0.1
80.18851	0.1
90.00213	0.1
140.13623	0.1
204.90656	0.1
257.69305	0.1
258.10556	0.2
273.08032	0.2
276.06433	0.6
290.08087	10.1
293.98074	0.1
302.08139	3.0
303.08771	0.2
304.06024	9.8
318.07605	13.4
319.08383	58.1
320.09201	0.2
334.10721	100.0
543.61621	0.2
966.31879	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
74.14086	0.1
80.67239	0.1
105.33195	0.1
121.06525	0.1
203.07083	0.1
262.08340	0.1
290.08194	0.9
292.09647	2.1
304.05945	0.4
318.07639	1.2
319.08395	4.3
320.09171	100.0
321.09924	0.6
334.10733	10.4
335.10864	0.2
336.08508	0.2
336.12320	2.1
472.57886	0.1
621.21130	0.1
622.21948	0.6
635.22314	0.2
682.23108	0.1
735.14191	0.1
922.37482	0.7
934.32959	0.5
945.63452	0.1
966.35474	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.354
Annotation	Unknow
Peak:m/z	Relative Intensity
137.05937	0.3
203.86029	0.3
252.61688	0.4
290.08127	9.4
302.08145	3.0
304.06061	8.3
318.07599	12.2
318.11118	0.7
319.08380	53.8
320.09143	4.7
334.10727	100.0
335.10995	0.7
336.12177	2.2
352.15573	0.7
375.15591	0.3
598.45758	0.3
637.90503	0.3
966.35388	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98351	0.4
79.48454	0.4
79.78963	0.4
85.91899	0.4
87.56447	0.4
90.21325	0.4
96.64323	0.5
102.00727	0.4
116.11224	0.4
133.63914	0.4
268.85712	0.5
290.08115	8.6
292.09775	2.7
302.08090	1.9
304.06046	6.5
318.07605	11.8
319.08386	45.6
320.09171	100.0
321.09686	1.7
334.10718	79.0
336.12241	6.9
635.22668	0.5
647.88617	0.5
922.35950	1.7
966.35443	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67442	0.2
162.89189	0.2
167.06946	0.4
234.40361	0.2
247.03856	0.2
266.98718	0.2
276.06546	0.7
290.08090	10.0
291.08173	0.2
302.08075	3.1
303.09064	0.3
304.06036	9.6
305.06299	0.3
318.03790	0.4
318.07568	13.7
319.08371	59.0
320.08847	3.5
321.09378	0.9
331.74817	0.2
334.10712	100.0
335.10928	3.0
336.12054	2.2
337.12814	0.2
352.15381	0.3
526.19476	0.2
588.28784	0.2
636.41882	0.2
966.35223	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42918	0.3
113.90416	0.3
118.23266	0.3
235.39735	0.3
243.62483	0.4
290.08105	0.6
292.09763	2.7
318.07474	0.7
319.08414	1.8
320.09158	100.0
321.09665	2.1
334.10754	4.6
336.12201	4.4
449.22763	0.4
622.21759	0.7
966.35175	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.354
Annotation	Unknow
Peak:m/z	Relative Intensity
137.05937	0.3
203.86029	0.3
252.61688	0.4
290.08127	9.4
302.08145	3.0
304.06061	8.3
318.07599	12.2
318.11118	0.7
319.08380	53.8
320.09143	4.7
334.10727	100.0
335.10995	0.7
336.12177	2.2
352.15573	0.7
375.15591	0.3
598.45758	0.3
637.90503	0.3
966.35388	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
72.13958	0.2
87.82767	0.2
115.75815	0.2
147.46660	0.2
188.55972	0.3
213.39499	0.2
224.44707	0.3
253.95828	0.3
278.08029	0.4
292.09677	6.8
304.09705	1.1
306.07648	2.5
319.08450	0.5
320.09155	17.9
321.09943	24.2
322.10410	0.9
323.11325	0.5
334.10660	1.9
336.12286	100.0
337.12592	2.7
338.13718	3.1
495.68427	0.3
667.90515	0.3
966.37817	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.54
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	7.3
69.03419	2.2
69.07082	1.3
73.02923	2.2
79.05511	3.1
79.62282	0.6
81.03439	0.6
81.07070	7.9
82.80615	0.5
83.08639	1.0
85.02894	5.7
91.03957	4.0
91.05504	2.2
93.07046	5.8
95.08608	8.1
97.02905	5.1
101.02393	0.7
105.07063	2.3
107.08648	3.1
109.02974	0.7
109.10149	4.2
117.07034	1.1
119.08586	2.0
121.10189	3.0
123.04491	0.6
123.11799	0.7
127.03953	1.3
131.05019	1.2
131.08588	0.7
131.34706	0.5
133.10167	2.8
135.11679	2.0
137.05968	4.0
137.09692	0.9
145.06566	0.8
145.10168	0.7
147.04472	3.1
147.11739	0.8
149.05994	8.4
149.13292	0.7
151.07582	0.7
154.08670	1.2
161.05934	4.2
163.07552	3.1
164.07101	4.0
165.05550	0.8
166.08690	3.1
173.05930	4.0
173.13231	0.6
175.07559	5.2
177.09073	0.9
187.07574	1.3
189.09164	2.2
255.13887	2.2
266.76199	0.7
273.14825	5.1
290.17465	7.7
291.16010	0.8
298.11548	0.6
308.18573	0.5
311.92352	0.6
320.08978	1.0
321.09851	1.0
331.25073	0.7
334.10938	1.1
335.25674	7.5
336.12479	2.6
346.20364	0.9
364.21097	4.1
382.22571	1.4
457.55441	0.6
607.44141	0.9
642.43365	5.6
804.48834	2.6
966.54156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
77.24367	0.2
151.52739	0.2
191.80371	0.2
276.06320	0.3
290.08066	7.6
291.08517	0.7
292.09451	0.3
302.08044	1.7
303.08707	0.2
304.06046	6.1
304.09274	0.3
305.06458	0.7
306.07169	0.4
318.07593	8.9
319.08371	48.8
320.08847	5.2
321.09769	2.0
334.10712	100.0
335.11057	5.1
336.12192	10.3
357.10037	0.2
372.12375	2.2
418.12796	0.3
464.13226	0.2
519.66626	0.2
608.17432	2.0
968.33179	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
91.77129	0.2
92.20895	0.5
148.45627	0.2
151.59496	0.2
276.06351	0.3
290.08099	9.3
290.11279	0.4
291.08279	0.9
292.09610	2.2
293.10150	0.3
294.11182	0.3
302.07999	2.0
303.08569	0.3
304.06046	6.0
304.09256	0.6
305.06287	0.3
306.07349	0.3
308.09222	0.3
308.12714	0.3
318.07599	9.6
319.08368	48.7
320.09024	15.2
321.09720	6.9
322.10330	0.5
323.11505	0.4
334.10718	100.0
335.11047	9.2
336.12265	46.9
337.12576	1.4
338.13809	2.0
357.10056	0.4
368.25281	0.3
372.12271	1.1
536.17676	0.3
608.17761	1.5
970.34625	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
91.77129	0.2
92.20895	0.5
148.45627	0.2
151.59496	0.2
276.06351	0.3
290.08099	9.3
290.11279	0.4
291.08279	0.9
292.09610	2.2
293.10150	0.3
294.11182	0.3
302.07999	2.0
303.08569	0.3
304.06046	6.0
304.09256	0.6
305.06287	0.3
306.07349	0.3
308.09222	0.3
308.12714	0.3
318.07599	9.6
319.08368	48.7
320.09024	15.2
321.09720	6.9
322.10330	0.5
323.11505	0.4
334.10718	100.0
335.11047	9.2
336.12265	46.9
337.12576	1.4
338.13809	2.0
357.10056	0.4
368.25281	0.3
372.12271	1.1
536.17676	0.3
608.17761	1.5
970.34625	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.349
Annotation	Unknow
Peak:m/z	Relative Intensity
113.52184	0.4
118.05248	0.3
205.33707	0.4
276.06622	0.6
288.66690	0.4
290.08109	9.0
302.07990	2.7
304.06021	7.3
307.08655	0.5
318.07590	11.5
319.08386	51.5
320.09094	6.2
322.10751	5.4
334.10721	100.0
336.12149	0.5
771.96777	0.4
871.32135	0.5
970.34772	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.9
69.07072	7.3
73.02904	1.2
79.05501	20.2
81.07063	26.2
81.07545	0.9
83.04996	1.5
83.08615	3.1
83.96969	0.9
84.56502	0.9
85.02913	8.3
85.06535	1.0
91.03973	6.5
91.05483	16.0
93.07047	30.2
95.04949	3.0
95.08604	26.4
97.02893	3.8
97.06530	1.3
97.10157	1.4
105.07035	20.8
107.08604	18.6
109.10157	11.6
114.82948	0.7
117.07020	6.6
119.08568	22.7
120.25583	0.8
121.10139	19.0
123.11702	3.1
127.03941	1.6
128.96307	0.8
129.06967	3.6
131.08554	11.6
133.10139	21.1
135.11679	12.5
143.08534	6.2
145.04921	1.1
145.10136	11.1
147.11687	18.9
149.09622	0.9
149.13263	6.6
150.81363	0.9
153.86652	0.8
157.10121	5.8
159.11684	12.1
161.09624	0.9
161.13226	9.4
163.05986	1.3
163.14838	1.5
169.10176	1.6
171.11691	6.2
173.13260	8.6
175.14815	3.9
185.13252	4.7
185.62608	0.8
187.14729	2.6
199.14815	1.7
209.34225	0.8
213.16344	1.1
215.17792	1.0
217.50162	0.9
239.18024	1.1
241.19536	5.5
243.20969	1.0
257.18884	1.2
259.20557	18.7
261.22156	1.5
275.20099	1.1
280.82657	0.8
333.24249	9.6
335.25797	15.9
381.78296	0.9
381.93179	0.9
467.66223	0.9
541.37952	1.1
593.45898	8.7
611.46747	100.0
701.47241	1.5
719.47937	1.3
737.49219	4.4
755.51111	6.5
970.55530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	6.9
73.02900	1.8
79.05509	24.5
79.93510	1.2
81.07064	34.2
83.08624	6.4
85.02913	8.3
91.03970	7.4
91.05483	22.5
93.07048	33.2
95.04959	2.1
95.08614	31.8
95.80664	1.3
97.02892	5.0
97.10181	1.6
99.08100	1.4
100.91502	1.1
105.04536	1.7
105.07042	21.8
107.08601	21.2
109.10172	13.7
117.07015	8.3
119.08603	26.3
121.10143	22.7
123.08061	1.4
123.11764	2.4
129.07007	5.9
131.08580	13.3
133.10124	25.6
135.11700	10.7
143.08554	2.8
145.10100	13.8
147.11673	19.7
149.13293	6.4
157.10126	7.1
159.11707	13.5
161.13229	9.0
163.14786	1.6
171.11679	7.9
173.13274	8.4
175.14806	3.0
182.69627	1.3
183.11687	2.2
185.13277	6.0
187.14882	2.4
199.14723	2.2
216.95497	1.3
225.10242	1.4
235.22614	1.3
241.19531	5.9
257.18900	2.1
259.20624	25.9
261.22302	1.8
306.37320	1.2
333.24219	12.1
335.25812	19.3
336.12378	2.2
351.25296	1.6
380.08984	1.4
495.83328	1.6
593.45514	8.5
611.46753	100.0
719.48651	1.8
737.49445	1.7
755.49921	5.5
773.51727	2.1
926.80786	1.4
970.56342	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92353	0.2
70.06570	0.3
83.07145	0.2
86.09684	0.3
92.20857	0.4
101.40428	0.2
105.42563	0.2
118.84975	0.2
121.06453	1.1
147.49034	0.2
174.05486	1.8
247.91344	0.2
259.09271	0.2
290.08072	4.3
292.09738	0.2
293.79675	0.2
302.08133	1.3
304.06088	3.8
308.09143	0.3
318.07623	5.3
319.08389	30.8
320.08957	1.5
321.09775	0.9
334.10727	100.0
336.12247	2.7
338.13519	0.3
343.08286	0.5
352.09454	0.3
367.11829	1.0
371.07861	0.4
386.10217	2.8
388.08282	0.4
404.11380	1.8
500.13538	0.3
512.17249	0.5
518.14813	0.3
525.14703	0.3
540.16498	3.1
558.17712	0.5
672.20862	2.8
834.25824	2.9
972.32782	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92353	0.2
70.06570	0.3
83.07145	0.2
86.09684	0.3
92.20857	0.4
101.40428	0.2
105.42563	0.2
118.84975	0.2
121.06453	1.1
147.49034	0.2
174.05486	1.8
247.91344	0.2
259.09271	0.2
290.08072	4.3
292.09738	0.2
293.79675	0.2
302.08133	1.3
304.06088	3.8
308.09143	0.3
318.07623	5.3
319.08389	30.8
320.08957	1.5
321.09775	0.9
334.10727	100.0
336.12247	2.7
338.13519	0.3
343.08286	0.5
352.09454	0.3
367.11829	1.0
371.07861	0.4
386.10217	2.8
388.08282	0.4
404.11380	1.8
500.13538	0.3
512.17249	0.5
518.14813	0.3
525.14703	0.3
540.16498	3.1
558.17712	0.5
672.20862	2.8
834.25824	2.9
972.32782	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.328
Annotation	Unknow
Peak:m/z	Relative Intensity
78.90218	0.2
79.80693	0.2
80.24984	0.2
81.07003	0.2
85.02875	1.3
92.21040	0.6
92.21555	0.3
97.02898	0.4
145.04886	0.5
161.09682	0.2
175.04012	0.2
207.06442	0.4
273.07681	0.2
287.56351	0.2
290.08096	9.5
302.08093	2.7
304.06030	9.3
304.09543	0.3
305.06641	0.4
318.07614	12.1
319.08392	54.5
320.09122	5.3
321.09647	1.0
322.10748	0.3
325.11484	0.8
334.10727	100.0
335.11044	1.4
336.12225	4.8
338.13495	0.3
428.20938	0.2
446.07974	0.2
596.51434	0.3
810.23419	0.2
972.32751	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21523	0.6
100.03340	0.4
109.72488	0.4
151.97964	0.4
154.43837	0.5
258.37268	0.4
264.42682	0.5
280.21640	0.4
290.08093	7.6
302.08127	3.2
304.06009	9.5
314.86447	0.5
318.07596	11.6
319.08392	54.2
320.08942	3.3
321.09549	1.0
334.10733	100.0
335.11188	1.0
336.12357	5.0
345.02954	0.4
372.37277	0.5
504.82343	0.4
736.20166	0.5
972.32794	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21523	0.6
100.03340	0.4
109.72488	0.4
151.97964	0.4
154.43837	0.5
258.37268	0.4
264.42682	0.5
280.21640	0.4
290.08093	7.6
302.08127	3.2
304.06009	9.5
314.86447	0.5
318.07596	11.6
319.08392	54.2
320.08942	3.3
321.09549	1.0
334.10733	100.0
335.11188	1.0
336.12357	5.0
345.02954	0.4
372.37277	0.5
504.82343	0.4
736.20166	0.5
972.32794	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
80.58701	0.3
119.37943	0.3
175.03842	1.1
185.65755	0.3
207.06512	1.3
264.62051	0.3
276.06424	0.3
290.08069	9.1
302.08206	2.5
304.06015	9.8
304.09146	0.4
305.06677	0.5
318.07544	13.5
319.08374	56.7
320.09222	2.9
321.09790	0.4
322.10904	2.0
323.10986	1.0
334.10709	100.0
335.10992	0.4
336.12357	4.0
972.32709	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
92.21523	0.3
139.02945	0.2
192.10191	1.2
196.26341	0.2
198.27945	0.3
200.61887	0.3
207.06490	0.2
240.25052	0.3
273.93216	0.3
290.04993	0.5
290.08118	10.8
290.11334	0.4
302.08188	3.0
304.03302	0.2
304.06003	9.3
318.07596	12.0
319.08377	52.3
320.09039	1.7
334.10721	100.0
335.11111	1.3
336.12170	2.6
632.16620	0.3
670.88080	0.3
842.53424	0.3
960.46222	0.3
972.32666	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
75.76399	0.2
97.75317	0.2
103.71464	0.2
139.56212	0.3
146.58537	0.3
221.23820	0.3
276.06491	0.4
290.08093	10.4
302.08127	2.8
304.06027	8.9
304.09479	0.3
304.44958	0.3
318.07605	12.6
319.08389	55.1
334.10727	100.0
335.11200	0.3
336.12241	1.2
452.39453	0.3
491.97168	0.2
520.90369	0.3
611.31860	0.3
972.32794	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.326
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52872	0.6
79.78969	0.6
100.92000	0.6
102.00458	0.7
137.06023	0.6
167.07118	0.9
175.03941	0.8
189.09254	0.8
191.07118	1.5
207.06667	3.4
215.68890	0.8
231.88585	0.7
274.47244	0.7
290.08044	9.1
292.09747	1.3
302.08212	1.6
304.06036	9.5
318.07605	10.7
319.08398	51.6
320.09256	10.2
321.10165	5.2
334.10739	100.0
335.11325	1.2
336.12286	20.2
338.13766	1.7
368.08899	1.0
386.10870	0.8
440.64273	0.9
474.15665	0.9
487.16559	1.0
500.17038	1.5
501.18243	2.6
502.18793	8.5
516.20142	22.8
516.27423	1.2
556.90051	0.9
942.58820	1.1
972.33984	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42764	0.6
77.25630	0.6
88.14341	0.6
110.73690	0.6
266.39206	0.7
290.08145	8.6
302.08289	2.6
304.06070	6.1
307.08633	0.6
318.07675	13.5
319.08386	57.3
320.09360	3.6
321.09732	2.5
323.11581	0.7
334.10724	100.0
335.11121	0.7
336.12244	5.2
338.13834	0.7
371.13794	0.6
534.28748	0.7
954.09229	0.7
972.32745	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
85.75969	0.1
102.40533	0.1
128.88127	0.1
142.92131	0.1
152.75060	0.1
167.81929	0.1
273.07779	0.5
276.06476	0.6
282.85699	0.1
289.07532	0.1
290.08075	10.4
302.08121	3.0
304.06030	10.1
316.06180	0.1
318.07584	13.4
319.08380	56.6
320.09311	0.2
321.10074	0.2
334.10715	100.0
336.12085	0.2
367.11868	0.2
386.10358	0.5
429.51047	0.1
608.15009	0.1
653.77332	0.1
686.18573	0.1
701.92468	0.1
849.95978	0.1
923.49500	0.1
972.32751	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38823	0.1
87.35968	0.1
108.38453	0.1
131.35904	0.1
151.66217	0.1
165.29976	0.1
174.05362	0.1
182.41170	0.1
273.07928	0.1
276.06180	0.6
289.07214	0.1
290.08099	10.2
302.08102	2.8
303.08865	0.4
304.06024	8.9
305.06689	0.2
316.06427	0.1
316.91934	0.1
318.07599	13.0
319.08389	56.7
320.08969	0.5
321.09952	0.5
334.10724	100.0
335.10965	0.3
336.12292	1.4
367.11435	0.1
386.10367	0.4
388.08176	0.1
404.11444	0.1
540.17279	0.1
543.72266	0.1
629.04657	0.1
678.64764	0.1
972.32782	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20912	0.4
240.89909	0.3
290.08063	7.0
302.08127	1.7
304.06003	6.3
318.03845	0.5
318.07574	11.1
319.08374	46.0
320.09109	2.8
321.09427	0.4
322.10681	0.4
334.10715	100.0
335.11038	1.9
336.12207	1.4
337.12561	0.4
338.13431	0.4
434.47977	0.3
924.32214	0.4
972.36194	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63494	0.2
85.02911	0.3
91.05469	0.3
104.74345	0.3
107.04951	0.3
121.06472	0.5
123.04433	0.3
149.05919	0.8
151.07530	0.5
153.05446	0.4
161.06006	0.5
163.03723	0.3
165.05495	0.5
167.07019	7.0
175.07547	0.3
177.05394	0.3
179.07109	1.0
181.04968	0.5
181.06448	0.3
181.08618	0.3
187.98692	0.2
193.08647	0.4
207.06435	0.4
207.08083	1.2
209.08101	0.6
211.07419	0.4
221.05995	0.5
221.07991	0.4
225.08963	0.3
235.07562	2.9
237.05353	0.3
238.06181	2.1
249.05405	1.1
251.06982	1.3
252.07796	4.4
253.08508	2.5
255.09933	0.3
262.06107	0.4
263.07047	6.8
264.07681	0.3
266.05606	1.1
267.06543	0.5
267.10120	2.1
271.09726	0.5
277.08517	1.3
279.06613	3.8
280.07254	1.3
281.08081	47.9
283.09692	1.1
290.07996	1.2
292.09665	0.5
295.09616	2.9
296.10422	39.7
302.08090	0.5
303.07889	0.3
304.05991	1.2
311.09094	2.0
318.07599	1.7
319.08377	7.1
320.09106	3.8
321.10031	2.6
325.10861	0.3
331.11734	8.4
334.10699	15.9
335.11099	1.9
336.12289	13.8
338.13663	0.5
399.12195	0.4
415.11633	0.3
429.13205	0.4
430.13846	0.4
459.14233	1.1
461.16113	0.4
489.15311	0.3
504.17450	0.4
533.42419	0.3
612.18286	0.3
627.21234	0.3
672.28082	5.8
702.29224	4.3
703.90076	0.3
972.40192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63494	0.2
85.02911	0.3
91.05469	0.3
104.74345	0.3
107.04951	0.3
121.06472	0.5
123.04433	0.3
149.05919	0.8
151.07530	0.5
153.05446	0.4
161.06006	0.5
163.03723	0.3
165.05495	0.5
167.07019	7.0
175.07547	0.3
177.05394	0.3
179.07109	1.0
181.04968	0.5
181.06448	0.3
181.08618	0.3
187.98692	0.2
193.08647	0.4
207.06435	0.4
207.08083	1.2
209.08101	0.6
211.07419	0.4
221.05995	0.5
221.07991	0.4
225.08963	0.3
235.07562	2.9
237.05353	0.3
238.06181	2.1
249.05405	1.1
251.06982	1.3
252.07796	4.4
253.08508	2.5
255.09933	0.3
262.06107	0.4
263.07047	6.8
264.07681	0.3
266.05606	1.1
267.06543	0.5
267.10120	2.1
271.09726	0.5
277.08517	1.3
279.06613	3.8
280.07254	1.3
281.08081	47.9
283.09692	1.1
290.07996	1.2
292.09665	0.5
295.09616	2.9
296.10422	39.7
302.08090	0.5
303.07889	0.3
304.05991	1.2
311.09094	2.0
318.07599	1.7
319.08377	7.1
320.09106	3.8
321.10031	2.6
325.10861	0.3
331.11734	8.4
334.10699	15.9
335.11099	1.9
336.12289	13.8
338.13663	0.5
399.12195	0.4
415.11633	0.3
429.13205	0.4
430.13846	0.4
459.14233	1.1
461.16113	0.4
489.15311	0.3
504.17450	0.4
533.42419	0.3
612.18286	0.3
627.21234	0.3
672.28082	5.8
702.29224	4.3
703.90076	0.3
972.40192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
80.60280	0.1
89.40846	0.1
89.52642	0.1
94.80312	0.1
103.11964	0.1
104.42791	0.1
134.51099	0.1
159.38287	0.1
166.98445	0.1
183.17374	0.1
194.68607	0.1
215.66420	0.1
275.09299	0.2
278.08075	0.3
291.08844	0.2
292.09659	10.5
304.09671	1.6
305.10416	0.1
306.07611	3.7
307.08466	0.2
308.12772	2.8
315.16174	0.1
320.09180	11.0
320.12387	0.4
321.09955	27.7
322.10684	1.6
333.17386	0.2
334.10968	0.2
334.17877	0.2
336.12289	100.0
337.13043	6.2
352.15421	20.4
390.54642	0.1
936.48969	0.1
971.16510	0.1
974.51312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84209	0.5
69.03416	1.0
72.08152	0.5
76.78410	0.6
77.84299	0.5
85.02898	2.6
97.02861	0.5
109.02911	0.6
109.10153	0.9
122.92883	0.7
127.11137	0.5
156.05795	0.5
215.10567	0.7
243.10214	1.1
243.13925	0.8
251.06938	1.0
255.10063	0.6
257.15405	0.8
265.08521	4.7
267.13919	0.7
281.08075	2.2
282.08878	7.5
283.09677	0.6
285.14838	6.0
293.08084	3.0
295.09720	0.7
295.13217	0.6
296.10352	5.9
297.11191	5.7
300.09695	0.7
313.14236	0.8
320.09180	23.8
321.09479	6.3
322.09805	2.8
323.08975	4.4
334.10663	2.3
369.20667	1.0
516.15118	0.9
722.51117	0.7
767.55957	0.6
974.49213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.8
73.02958	0.8
113.58238	0.9
136.51294	0.8
148.07306	0.8
155.59177	0.9
180.16586	0.9
215.10745	1.4
237.08978	1.1
243.09901	1.0
251.06999	0.9
257.15369	1.3
265.08594	4.3
281.08051	2.1
282.08896	5.9
283.13223	1.1
285.14786	6.2
292.09665	2.0
293.07956	2.0
296.10458	5.7
297.11197	6.0
318.07504	1.2
319.08310	1.3
320.09171	43.2
321.09387	1.1
323.08853	3.0
334.10767	5.9
335.10947	1.6
336.12057	2.0
371.58124	1.1
410.34473	0.9
491.14398	1.2
515.72192	1.0
516.15076	1.6
892.88348	1.0
968.45789	1.1
974.49219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.3
73.02898	1.5
75.15691	1.3
79.05500	1.7
81.07059	1.7
81.43703	0.9
83.90604	1.0
85.02912	2.5
91.03976	1.5
93.07040	1.6
97.02928	5.0
127.03981	1.3
133.10172	1.4
141.23033	1.3
225.02783	1.1
243.08507	1.2
336.12457	1.1
347.09686	2.4
351.20352	1.2
365.10583	2.1
405.13803	7.4
519.29315	7.3
535.28882	7.1
665.36871	1.3
681.33984	7.7
697.34363	5.3
740.89270	1.3
760.82928	1.1
813.52222	1.1
833.74896	1.1
872.33478	1.1
975.56445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	0.3
89.56730	0.3
95.48006	0.3
101.97820	0.3
109.95866	0.3
112.68584	0.3
125.74503	0.4
132.48938	0.3
160.03928	1.2
165.05455	5.5
167.07005	0.8
175.03932	0.4
177.05443	1.4
178.04984	18.5
191.07010	1.4
205.05006	0.5
206.04416	2.3
207.06529	0.8
217.12161	0.5
233.11766	0.4
243.10127	0.4
264.06369	0.6
265.07434	0.4
271.17065	0.4
276.06500	0.4
278.08057	2.3
280.06097	0.5
281.06714	0.4
290.08090	2.9
291.05106	0.6
292.06085	1.3
302.08188	1.5
304.06088	2.6
306.07596	3.3
308.05493	2.8
308.08777	0.4
309.06384	1.3
317.17542	1.8
318.07642	4.2
319.04907	1.0
319.08359	15.2
320.09042	2.0
324.08652	0.7
334.07086	4.0
334.10703	29.2
335.11142	1.4
336.04984	0.7
336.12094	1.9
337.05856	6.0
338.06400	0.7
352.08139	100.0
362.75076	0.3
368.07611	0.4
370.09204	22.5
509.20505	0.3
541.60205	0.3
655.34119	0.4
736.18646	4.8
930.28082	26.8
942.28107	2.1
960.29834	2.6
978.33380	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
77.10296	0.1
83.54754	0.1
97.32914	0.1
114.93860	0.2
123.09227	0.1
132.01392	0.2
270.63245	0.1
290.08093	3.3
302.08167	1.1
304.06006	3.4
306.07687	0.2
318.07556	5.0
319.08359	27.0
320.08987	1.3
321.09579	0.2
334.10703	100.0
335.11093	0.7
336.12271	1.2
337.12616	0.9
350.10037	0.2
352.15128	0.2
516.16595	0.2
530.18091	0.2
635.22614	7.8
636.23413	6.8
808.26843	0.2
937.54694	0.2
948.34015	0.7
980.36420	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45416	0.1
83.55412	0.1
113.04149	0.1
140.09184	0.1
168.93413	0.1
246.01112	0.1
290.08075	3.2
302.08185	0.8
304.05997	2.7
317.03784	0.1
318.07568	3.0
319.08392	24.2
320.09186	3.9
321.09995	0.3
334.10727	100.0
336.12302	2.0
337.12766	0.5
338.13751	0.6
407.02988	0.1
635.22662	8.6
636.23364	7.2
948.33490	0.2
980.36969	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
111.00700	0.1
214.53763	0.1
276.06482	0.2
290.08099	3.1
302.08206	0.8
304.06039	2.7
316.05185	0.1
318.07596	2.8
319.08389	23.2
320.09174	2.9
321.09610	0.2
334.10721	100.0
335.11401	0.3
336.12415	1.6
337.12576	0.3
338.13400	0.2
635.22601	8.6
636.23364	6.7
660.77979	0.1
948.34137	0.9
980.36969	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.371
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00699	0.1
77.80571	0.1
86.10274	0.1
181.67949	0.2
276.06491	0.2
290.08093	3.1
292.97549	0.1
302.08145	1.1
304.06018	3.0
304.09198	0.1
316.05585	0.1
318.07617	4.0
319.08395	24.0
320.09137	1.1
334.10736	100.0
335.11041	0.2
336.12271	0.8
360.43030	0.1
569.57220	0.2
574.80255	0.1
635.22601	7.0
636.23383	4.4
723.28931	0.1
938.72290	0.1
948.34137	1.7
980.37024	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03522	0.1
90.88084	0.1
257.48596	0.1
260.58853	0.1
276.06583	0.2
290.08084	3.1
292.09784	0.1
299.97473	0.1
302.08228	0.9
303.09106	0.1
304.06003	2.4
304.09128	0.1
318.07584	4.0
319.08377	24.3
320.09125	2.3
321.09659	0.5
322.10266	0.1
334.10715	100.0
335.11176	0.2
336.12268	2.6
337.12512	0.7
338.12918	0.4
496.71280	0.1
635.22626	7.4
636.23358	6.3
680.81592	0.1
948.34222	0.7
980.36908	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47974	0.2
98.17990	0.2
148.40297	0.2
215.94591	0.2
244.96837	0.2
290.08087	6.2
292.09686	8.4
302.08060	2.0
304.06012	5.2
304.09647	1.4
306.07550	2.4
307.88034	0.3
318.07584	8.2
319.08368	31.0
320.09116	9.9
321.09927	25.7
334.10715	57.5
335.11212	2.5
336.12262	100.0
337.12762	0.3
338.13895	0.3
732.91394	0.3
816.44226	0.3
852.62897	0.4
982.31006	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
78.37783	0.3
84.87890	0.3
100.69925	0.3
139.33173	0.3
171.78238	0.3
207.06465	0.5
277.07385	0.4
290.08136	0.5
292.09641	3.5
294.11243	0.4
318.07568	1.4
319.08340	3.0
320.09174	100.0
321.09476	0.7
322.10742	4.8
334.10742	9.4
334.14612	0.5
335.11356	1.2
336.12347	1.8
350.09961	0.4
544.19824	0.5
982.34497	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54078	0.1
111.06356	0.1
126.89133	0.1
261.09286	0.1
277.07239	0.2
290.08270	0.6
292.06506	0.2
292.09656	3.4
294.11240	0.7
306.09155	0.1
318.07532	0.9
319.08426	1.4
320.09174	100.0
321.10214	0.1
322.10678	0.6
334.10742	2.8
335.11130	0.4
336.12122	0.7
337.12805	0.1
353.13873	0.2
544.19482	0.6
629.22003	0.5
982.34888	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.348
Annotation	Unknow
Peak:m/z	Relative Intensity
79.23109	0.2
135.11652	0.3
243.38718	0.2
255.54810	0.3
279.45355	0.3
290.08102	0.5
292.09561	2.7
318.07608	0.4
319.08237	1.9
320.09158	100.0
334.10638	3.8
335.11194	0.3
336.12317	1.4
367.15326	0.4
436.51440	0.3
982.35059	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
79.50542	0.1
93.08164	0.1
140.61116	0.1
145.41762	0.1
209.74760	0.1
219.06026	0.1
249.08090	0.1
262.08459	0.1
277.07431	0.1
290.08127	0.5
292.09671	3.2
304.06006	0.1
308.09177	0.1
318.07648	1.0
319.08490	1.1
320.09167	100.0
321.09875	0.1
334.10730	2.2
335.11050	0.2
336.12341	0.9
337.12479	0.2
367.15302	0.4
462.47427	0.1
507.55411	0.1
964.08038	0.2
982.34717	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77675	0.1
92.20967	0.2
95.13518	0.1
96.77348	0.1
96.77985	0.1
137.06187	0.1
167.48569	0.1
205.25240	0.1
208.13486	0.1
239.43102	0.1
291.09045	0.2
292.09692	5.0
304.09631	0.8
306.07666	1.8
307.08359	0.2
315.13004	0.1
318.07327	0.1
319.08380	0.7
320.09128	5.7
321.09958	18.5
322.10489	0.2
323.11487	0.2
334.10751	2.7
335.11026	1.2
336.12292	100.0
337.12582	0.9
338.13773	2.0
382.02948	0.1
477.55795	0.1
493.40283	0.1
613.44940	0.2
637.23407	0.2
638.24561	1.4
982.38452	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45243	0.1
68.70030	0.1
70.07623	0.1
70.82094	0.1
71.41978	0.1
90.10873	0.1
120.17947	0.1
132.22018	0.1
138.42941	0.1
167.06903	0.1
207.06526	0.1
220.64183	0.1
275.09412	0.1
278.08069	0.1
283.65076	0.1
290.07977	0.1
291.08948	0.1
292.09668	5.4
304.09509	0.8
306.07629	1.8
318.07523	0.3
319.08313	0.6
320.09164	8.3
321.09955	18.9
322.10553	0.3
334.10730	2.0
335.11194	0.7
336.12286	100.0
337.12753	0.3
338.13913	0.3
352.15442	0.3
379.32391	0.1
499.85620	0.1
637.23828	0.1
638.25024	0.7
756.22675	0.1
831.81042	0.1
950.35889	0.6
982.38538	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99236	0.1
72.13563	0.2
73.41412	0.1
92.21592	0.2
162.33873	0.2
168.88232	0.2
194.48447	0.2
265.74313	0.2
278.07828	0.3
292.09659	5.7
304.09607	0.7
306.07629	1.7
319.08218	0.3
320.09143	7.0
321.09940	19.4
334.10675	2.1
335.11118	0.8
336.12274	100.0
352.15399	0.2
402.78043	0.2
437.44440	0.2
637.25238	0.2
638.25201	0.4
921.22809	0.2
982.38574	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
74.80016	0.9
94.50893	1.1
105.07053	4.2
108.71273	1.0
111.94320	1.0
112.90548	1.0
120.20780	1.0
131.04834	1.4
133.06500	1.8
133.17291	1.2
137.05984	1.3
148.05145	1.8
159.08105	1.6
160.05234	1.3
161.05933	4.3
166.06306	7.6
167.07050	1.2
171.08006	1.9
175.07574	4.7
181.08583	52.7
184.05174	1.8
190.06262	14.5
197.54736	1.2
199.07533	29.4
205.08600	47.5
209.61501	1.2
230.75746	1.1
276.11377	1.9
289.08508	6.2
290.08194	1.7
291.09821	1.3
293.11563	1.6
303.10144	1.7
304.10925	11.3
305.08170	3.7
305.11584	18.3
307.13361	2.3
318.07654	1.8
319.08423	8.3
320.09091	18.4
321.11255	28.0
328.30945	1.2
334.10730	19.8
335.07968	1.4
335.12680	10.1
336.13528	62.2
337.10614	5.0
350.10254	7.7
352.13016	4.4
367.15387	100.0
427.17484	32.8
626.31537	1.3
688.97321	1.2
823.67242	1.3
907.23828	1.5
942.47150	1.2
982.33636	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07095	4.8
71.08651	1.3
75.01833	0.8
79.05494	14.6
79.06219	0.9
81.03476	0.8
81.07057	20.0
83.05000	1.5
83.08625	7.5
85.02927	1.3
85.06538	1.0
85.10206	1.6
91.05486	9.2
93.07040	13.6
95.04969	1.9
95.08604	15.2
95.09113	1.0
97.02879	1.0
97.06532	1.3
97.10159	10.7
105.07025	7.0
107.04948	6.7
107.08593	14.1
109.06515	3.0
109.10155	14.5
117.07034	5.0
119.08576	11.1
121.06553	4.4
121.10143	8.8
123.08086	1.1
123.11716	2.1
125.09634	10.9
129.07010	1.9
131.08542	7.1
133.06534	1.2
133.10170	4.4
135.08040	14.3
135.11703	4.3
137.09610	1.3
143.08583	1.5
145.06456	1.2
145.10187	4.8
147.08086	4.2
147.11752	1.8
149.09665	1.1
149.13286	3.3
153.09109	6.2
157.10130	0.9
159.08037	24.2
159.11763	1.8
161.09673	1.4
161.13319	3.4
163.07573	4.6
163.11235	1.1
169.10173	1.0
171.11719	1.2
173.09608	1.9
173.13283	1.6
185.09665	1.7
187.14824	1.8
189.11205	1.2
189.12857	1.1
215.14400	3.8
227.12827	1.5
233.15424	9.5
243.17534	1.4
253.15813	1.3
266.29099	0.8
271.16953	13.7
289.17981	38.6
307.57181	0.8
313.27271	9.3
335.25772	19.5
363.21625	32.6
467.37231	3.8
507.40594	3.5
587.46484	4.9
623.43079	100.0
641.44208	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07079	13.5
71.05003	3.1
71.08631	27.9
79.05492	20.5
81.07059	48.7
83.04948	1.9
83.08640	21.6
85.02930	6.4
85.06563	2.7
85.10188	20.8
91.03943	4.5
91.05479	21.0
93.07041	27.2
95.04964	4.1
95.08604	52.8
97.02876	2.3
97.06512	9.3
97.10143	10.8
105.07045	20.7
107.04932	3.3
107.08590	20.9
109.06536	3.5
109.10159	45.7
111.08092	2.9
117.07014	8.1
119.08578	19.5
121.06512	3.4
121.10167	17.9
123.08056	2.3
123.11723	13.0
131.08582	14.2
133.10143	19.2
135.08038	4.1
135.11694	4.5
136.91301	1.8
145.10126	13.7
147.11705	12.6
149.09566	3.1
149.13297	6.8
157.10281	2.5
159.11668	9.7
161.13298	2.5
163.11148	2.5
173.11761	2.4
173.13286	7.6
183.11789	2.7
185.13249	7.9
195.13843	3.0
197.13321	2.4
199.14777	3.3
211.73958	2.3
217.15755	2.1
219.17380	4.0
228.08133	1.8
229.14435	15.1
257.18948	4.5
257.24750	3.0
269.17496	11.6
275.20023	21.1
293.20993	7.8
304.11154	2.6
309.20648	9.7
313.27383	100.0
336.12119	2.2
349.23721	24.5
367.24750	11.6
457.59665	2.3
467.37344	16.2
507.40390	52.0
547.43524	64.4
585.89673	2.3
587.46722	61.5
605.47791	52.6
623.42480	2.7
651.44440	2.7
685.64056	2.3
749.89984	2.3
935.84766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80897	1.3
69.03420	1.6
69.07069	16.9
71.08637	30.1
79.05491	21.4
79.22038	1.5
81.06609	2.6
81.07068	52.1
83.04993	2.3
83.08611	23.9
85.02909	3.7
85.06561	2.8
85.10186	22.1
89.06052	1.8
91.03935	3.1
91.05483	19.2
92.62514	1.5
93.07037	30.2
95.04972	3.7
95.08609	46.3
97.02863	3.3
97.06543	2.8
97.10172	11.8
97.28421	1.8
99.08086	2.3
99.78514	1.5
105.07030	21.7
107.04919	2.8
107.08584	23.9
109.06520	7.0
109.10158	39.7
111.08071	3.8
111.11691	1.8
117.07006	8.3
119.08561	17.6
121.06541	3.4
121.10132	18.7
123.08028	2.8
123.11716	10.9
125.13268	1.6
129.07014	2.5
129.75046	1.9
131.08557	14.5
133.10143	19.6
135.08069	2.7
135.11670	6.1
137.09624	4.0
137.13248	1.9
143.08557	3.5
145.10112	11.8
147.08011	2.5
147.11685	14.7
149.09624	6.8
149.13251	7.9
157.10158	2.6
159.11653	10.5
161.13223	3.7
173.11703	8.6
173.13252	7.2
177.12764	1.9
185.13219	3.2
195.13901	1.7
219.17502	3.7
229.14334	22.8
229.19289	2.2
239.23682	2.8
257.19016	3.4
257.24655	6.6
269.17401	15.0
275.20102	23.6
288.51917	1.7
293.21146	3.7
309.20569	10.1
313.27350	100.0
349.23788	23.3
367.24768	15.1
467.37393	18.8
507.40457	65.8
547.43665	73.6
587.46741	74.0
605.47742	57.8
623.42529	2.6
638.54413	1.9
691.46552	2.2
749.51831	3.2
767.51086	1.8
985.25366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
73.32780	0.1
91.22701	0.1
117.84709	0.1
174.05441	0.1
214.80258	0.1
273.07852	0.1
276.06104	0.5
290.08093	8.7
302.08090	2.7
303.08908	0.1
304.06036	8.1
316.06381	0.1
318.07596	11.4
319.08383	52.5
320.09006	0.3
323.21259	0.1
334.10718	100.0
335.11417	0.1
464.14883	0.1
494.15985	0.1
496.17917	0.2
653.73102	0.1
966.31567	0.2
984.32788	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12063	0.1
78.10685	0.1
80.79028	0.1
81.81468	0.1
114.94538	0.1
266.44714	0.2
279.08774	1.4
290.08096	0.2
292.09711	0.3
293.10019	0.2
294.11118	0.8
304.06033	0.2
307.08377	13.2
318.07693	0.7
319.08325	2.4
320.05392	0.3
320.09174	11.5
321.09491	7.2
322.10724	100.0
323.11139	0.2
334.10727	5.1
335.11078	0.9
336.12326	1.3
337.12903	0.3
352.15433	0.3
984.35913	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
83.97218	1.9
104.75860	2.1
124.61158	2.0
133.06560	2.4
137.65445	2.0
141.78703	2.2
159.93565	2.0
166.06221	10.0
175.07506	2.6
181.08582	44.6
182.56342	2.3
190.06261	16.1
199.07542	31.1
205.08611	35.7
211.20137	2.1
270.80075	2.2
276.11362	2.6
289.08554	2.7
293.11707	3.3
303.10443	2.3
304.10913	11.9
305.08374	3.5
305.11472	18.0
320.09912	4.8
321.11154	23.3
335.12732	10.6
335.60147	2.1
336.13519	57.3
337.10931	2.2
343.32852	2.3
352.12964	2.6
367.15344	100.0
427.17572	28.8
939.45038	2.8
984.58856	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
104.75346	0.6
137.05972	6.0
166.63841	0.6
181.73599	0.6
201.05573	3.3
277.08621	1.3
290.05597	0.9
290.08160	7.6
293.08087	1.0
302.08276	1.4
304.05975	7.0
305.08084	2.9
307.09616	1.4
312.35815	0.6
318.07568	11.4
319.08365	48.4
320.09030	2.3
325.10892	1.1
334.10715	82.4
335.11096	0.8
336.12485	1.0
408.12015	5.2
420.12488	1.4
422.10156	5.8
436.11813	13.0
437.12634	8.4
450.13672	1.1
452.14886	24.2
550.94965	0.7
986.32141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	15.4
69.36510	8.4
75.00993	8.5
75.37220	8.7
79.05503	45.3
81.07072	84.0
85.02883	16.3
85.10112	10.1
91.05494	24.2
93.07044	58.0
95.08599	73.8
105.07051	48.2
107.08586	41.0
109.10150	24.0
109.97005	10.3
115.80191	10.7
117.07035	12.5
119.08569	50.6
121.10121	47.4
125.59560	9.7
131.08568	20.0
133.10104	49.8
135.11684	35.6
143.08641	10.9
143.55589	11.6
145.10178	38.9
147.11676	23.8
159.11722	14.9
185.13257	10.7
199.38744	10.9
259.20514	22.1
261.22333	17.3
333.24106	20.5
335.25836	60.5
356.39664	10.6
489.34885	11.5
529.38397	21.5
611.46570	100.0
640.98981	10.6
954.08356	11.5
986.53119	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07078	6.0
79.05504	16.2
81.07061	18.6
83.08620	3.7
85.02903	4.2
91.03963	3.9
91.05486	13.5
92.21468	1.0
93.07050	19.0
94.64772	0.9
95.04968	1.9
95.08610	16.4
97.02879	1.6
97.06541	1.3
97.10167	1.3
105.07033	18.1
107.08595	12.2
109.06551	0.9
109.10134	8.4
111.08102	1.4
117.06282	0.8
117.06992	6.5
119.08577	16.0
119.97451	0.8
121.10137	9.0
129.06960	5.8
131.08557	13.4
133.10124	14.9
135.11699	7.3
141.06993	1.8
143.08585	7.1
145.10117	12.7
147.11685	12.3
149.09628	1.4
149.13284	4.3
155.08577	3.6
157.10110	7.4
159.07986	0.7
159.11690	10.7
161.09610	1.5
161.13255	4.4
163.06053	1.3
167.08606	1.1
169.10115	4.4
171.11674	11.0
173.13210	5.9
175.14861	1.9
176.08774	1.0
181.10176	1.8
182.84917	0.8
183.11719	6.6
185.13251	5.4
187.14812	4.0
195.11658	3.4
197.13287	5.4
199.14857	3.3
209.13333	1.9
211.14804	4.9
213.16417	1.4
221.13286	1.1
223.14861	3.3
225.16319	1.7
235.15041	0.8
237.16374	1.3
239.17953	3.4
249.16249	0.8
251.17882	0.9
257.18896	1.6
259.20511	4.0
333.24405	1.9
335.25775	1.6
336.12054	1.4
438.41330	0.9
499.33618	1.0
517.40253	3.5
535.41260	3.3
583.22211	1.0
591.44006	10.3
609.45178	100.0
627.45886	1.5
697.23407	1.1
717.47424	1.3
735.47760	3.3
753.49200	4.7
771.50513	17.2
773.10632	1.0
919.24200	1.1
986.57751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14527	0.1
73.36665	0.1
75.37535	0.1
99.45719	0.1
104.17293	0.1
142.14085	0.1
276.06671	0.5
290.08093	9.4
302.08078	3.1
303.08939	0.3
304.06015	7.9
304.09521	0.3
305.06699	0.2
318.07578	11.5
319.08374	54.3
320.08932	1.2
321.09479	0.4
334.10712	100.0
335.11017	1.0
336.08221	0.1
336.12161	1.0
337.12656	0.7
351.10944	0.2
352.15268	0.2
353.15817	0.2
390.00546	0.1
908.77148	0.2
923.02795	0.1
987.35364	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14527	0.1
73.36665	0.1
75.37535	0.1
99.45719	0.1
104.17293	0.1
142.14085	0.1
276.06671	0.5
290.08093	9.4
302.08078	3.1
303.08939	0.3
304.06015	7.9
304.09521	0.3
305.06699	0.2
318.07578	11.5
319.08374	54.3
320.08932	1.2
321.09479	0.4
334.10712	100.0
335.11017	1.0
336.08221	0.1
336.12161	1.0
337.12656	0.7
351.10944	0.2
352.15268	0.2
353.15817	0.2
390.00546	0.1
908.77148	0.2
923.02795	0.1
987.35364	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	4.8
69.07057	1.8
70.06592	1.5
72.14063	0.7
73.02917	20.7
76.68087	0.7
79.05498	14.5
81.03413	3.5
81.07061	22.7
83.08619	2.7
85.02905	95.8
85.06543	1.2
87.04502	0.9
89.97289	0.7
91.03951	100.0
91.05464	8.1
93.07037	19.1
95.04958	1.8
95.08602	19.9
97.02888	43.3
97.06536	1.0
99.04448	5.5
99.08104	3.6
103.03936	1.4
105.07025	4.8
107.08599	15.3
109.02853	3.2
109.10152	13.6
111.08080	1.5
115.03919	4.8
117.05500	1.3
117.07006	3.1
119.08566	5.9
121.10133	23.7
123.11713	6.8
125.09597	0.8
127.03909	38.0
131.08560	11.4
133.10112	9.8
135.11688	25.4
137.09637	1.0
137.13298	1.1
145.04945	48.6
145.10117	10.3
147.11694	7.2
149.09567	1.6
149.13271	15.9
150.69157	0.8
159.11668	11.8
161.13214	1.4
163.06001	77.6
163.11171	1.6
173.13229	11.0
175.14816	1.5
177.12663	0.9
187.14803	4.0
189.16324	1.0
191.17906	1.0
205.19537	1.8
212.51375	0.8
215.17941	27.0
233.18993	40.5
251.20027	1.3
292.09726	0.8
307.10248	1.2
307.22656	17.3
321.09842	2.9
325.11252	58.0
325.23721	86.8
334.10779	0.9
336.12219	9.3
469.21945	1.2
469.28024	23.0
487.16327	4.6
487.28958	4.2
503.02945	0.9
631.33313	5.7
660.85785	0.9
737.79523	0.9
793.38116	1.2
990.44763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32924	4.7
73.02926	12.0
79.05489	7.9
81.07059	9.4
85.02900	94.1
86.96631	5.5
87.80898	4.9
91.03953	100.0
91.05492	6.3
93.07040	24.2
95.08604	8.7
97.02891	40.7
105.86398	5.5
107.08614	5.8
109.10118	7.2
115.03928	6.4
119.08625	7.3
121.10146	20.5
123.11681	5.9
127.03898	37.4
131.08635	6.9
133.10103	9.6
135.11665	29.4
143.49030	4.7
145.04968	37.0
145.10072	5.3
149.13304	5.3
150.04588	4.9
153.10133	4.8
159.11671	8.7
163.05995	58.1
163.91432	5.2
215.17940	24.2
233.18938	34.3
276.86014	6.4
298.99927	5.7
307.22614	5.6
308.31940	5.6
320.09134	23.1
325.11353	43.0
325.23755	87.1
336.12265	19.1
420.46707	5.7
477.46030	5.5
487.28720	5.6
569.13751	6.5
643.56091	5.8
990.32172	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34034	0.2
71.07359	0.7
86.09707	15.5
86.60818	0.2
98.98444	0.7
104.10738	2.4
121.06398	0.2
125.00003	8.2
126.21332	0.2
173.94759	0.2
184.07335	100.0
198.08948	0.3
244.97879	0.2
258.11493	0.2
282.30029	0.2
333.24109	0.2
357.33536	0.2
478.33057	0.4
496.33939	14.9
510.35721	0.4
862.93884	0.2
991.67169	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46043	0.2
71.07365	1.8
71.08628	0.3
79.87825	0.2
81.07031	0.2
85.10180	0.3
86.09705	23.2
95.08586	0.5
98.98476	0.4
104.10744	74.9
125.00002	10.1
126.04661	0.2
138.26247	0.2
163.01549	1.2
184.07333	100.0
198.08913	0.4
249.57304	0.2
258.11072	0.8
313.27344	3.4
419.25757	0.4
478.33057	2.9
496.33966	38.8
514.68488	0.2
599.43793	2.9
991.67139	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.8
69.07061	3.5
70.06567	2.1
72.88493	1.5
73.02917	21.0
79.05486	8.3
81.03419	2.0
81.07061	29.6
83.08630	3.9
85.02905	84.0
85.06522	2.8
90.64874	1.4
91.03954	100.0
91.05453	7.8
93.07049	8.3
95.08603	39.4
97.02902	41.0
97.06525	3.5
99.04463	4.0
103.03917	3.3
105.07056	6.6
107.08590	7.7
109.10145	18.1
113.09614	3.3
115.03918	3.8
119.08551	3.9
121.10139	15.9
123.11682	11.3
127.03906	38.4
127.11137	2.4
133.10156	13.7
135.11707	12.9
137.13258	8.6
145.04947	43.4
147.11676	7.1
149.13219	3.4
151.14827	6.7
157.66566	1.7
161.13246	11.1
163.06006	73.8
175.14838	3.9
217.19496	43.0
235.20538	47.2
256.95447	2.0
309.24182	15.4
320.09595	1.8
321.09827	3.7
325.11313	70.9
327.25311	85.1
334.10718	1.8
336.12305	21.4
338.13516	2.1
428.06888	1.8
471.29630	2.9
487.16379	8.0
489.30389	7.2
886.53510	2.2
992.48773	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.7443
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08646	10.1
73.06578	2.5
73.09947	1.6
85.10194	3.5
87.04499	7.1
89.06036	35.6
89.06541	2.4
92.73438	1.3
117.09159	1.9
133.08615	12.0
177.11267	3.3
178.66942	1.8
222.17780	1.6
341.34341	2.6
891.16620	2.0
975.72015	14.6
992.74524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	1.7
69.19504	0.6
69.84435	0.6
72.04527	1.3
73.51283	0.6
74.06072	1.5
79.05477	1.7
81.07059	5.7
83.08620	3.2
86.06094	0.7
88.35388	0.7
90.05552	0.8
93.07046	1.0
95.08625	7.2
97.10149	1.3
105.07089	1.0
107.08607	3.0
109.10154	3.0
114.27062	0.7
119.08593	1.0
121.10165	3.2
133.10120	0.9
163.14236	0.7
190.92537	0.8
250.25310	1.2
262.25385	1.3
280.26315	15.5
298.27396	8.6
316.28452	100.0
336.12106	0.8
375.30777	0.8
702.38129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21408	0.2
73.65648	0.2
79.88766	0.2
90.23093	0.2
95.38985	0.2
126.76890	0.2
144.74283	0.2
273.07718	0.3
290.04999	0.4
290.08133	9.0
291.08466	0.3
302.08096	3.3
303.08792	0.3
304.06006	9.2
305.06357	0.2
308.09155	0.3
314.55435	0.2
318.07608	12.3
319.08383	57.3
320.09045	3.8
321.09097	0.3
322.10718	1.0
334.10721	100.0
335.11011	2.5
336.12283	1.6
548.90668	0.2
950.88342	0.3
996.36292	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21408	0.2
73.65648	0.2
79.88766	0.2
90.23093	0.2
95.38985	0.2
126.76890	0.2
144.74283	0.2
273.07718	0.3
290.04999	0.4
290.08133	9.0
291.08466	0.3
302.08096	3.3
303.08792	0.3
304.06006	9.2
305.06357	0.2
308.09155	0.3
314.55435	0.2
318.07608	12.3
319.08383	57.3
320.09045	3.8
321.09097	0.3
322.10718	1.0
334.10721	100.0
335.11011	2.5
336.12283	1.6
548.90668	0.2
950.88342	0.3
996.36292	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21408	0.2
73.65648	0.2
79.88766	0.2
90.23093	0.2
95.38985	0.2
126.76890	0.2
144.74283	0.2
273.07718	0.3
290.04999	0.4
290.08133	9.0
291.08466	0.3
302.08096	3.3
303.08792	0.3
304.06006	9.2
305.06357	0.2
308.09155	0.3
314.55435	0.2
318.07608	12.3
319.08383	57.3
320.09045	3.8
321.09097	0.3
322.10718	1.0
334.10721	100.0
335.11011	2.5
336.12283	1.6
548.90668	0.2
950.88342	0.3
996.36292	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21408	0.2
73.65648	0.2
79.88766	0.2
90.23093	0.2
95.38985	0.2
126.76890	0.2
144.74283	0.2
273.07718	0.3
290.04999	0.4
290.08133	9.0
291.08466	0.3
302.08096	3.3
303.08792	0.3
304.06006	9.2
305.06357	0.2
308.09155	0.3
314.55435	0.2
318.07608	12.3
319.08383	57.3
320.09045	3.8
321.09097	0.3
322.10718	1.0
334.10721	100.0
335.11011	2.5
336.12283	1.6
548.90668	0.2
950.88342	0.3
996.36292	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
76.26379	0.1
79.16817	0.2
88.35376	0.2
99.04338	0.2
100.05479	0.2
111.49451	0.2
112.15553	0.2
167.53134	0.2
191.75325	0.2
204.72667	0.2
221.64465	0.2
241.88983	0.2
276.06363	0.3
290.08102	11.7
302.08136	3.1
303.08780	0.2
304.06021	10.0
307.08328	0.2
318.07593	14.1
319.08392	57.8
320.09210	1.4
322.10745	1.3
334.10733	100.0
335.11050	0.2
336.12378	0.4
533.54053	0.2
697.46655	0.2
993.06403	0.2
996.36401	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
72.96094	0.4
79.05484	0.8
91.05496	0.8
92.20914	0.5
99.44678	0.5
103.05458	0.5
105.07049	2.2
115.05444	0.5
121.06515	0.4
124.01025	0.4
127.39392	0.4
128.06145	0.6
130.04102	0.5
133.06500	2.8
133.99954	0.5
136.05190	1.8
137.05991	2.1
145.02843	2.1
145.06529	0.7
147.04384	0.8
148.05179	2.1
151.07481	0.5
159.08078	2.7
160.05211	1.0
161.05969	4.7
166.06242	12.1
171.08031	2.3
175.07529	6.5
177.05460	3.7
179.07098	0.5
181.08588	63.7
184.05235	1.7
187.07533	2.9
189.09045	0.9
190.06238	17.7
191.07045	2.4
193.08578	0.7
199.07530	33.5
201.05605	0.5
205.08601	46.9
206.09320	0.9
245.09734	1.0
246.10396	0.6
247.09648	2.2
261.09091	2.3
273.09216	1.1
275.10614	1.6
276.11572	3.0
277.08585	0.9
277.12143	0.7
278.09375	0.7
286.10004	0.6
287.10678	0.5
288.07770	0.8
289.08710	5.5
290.09460	2.2
291.10291	1.8
292.10867	1.8
293.11697	3.2
303.10223	4.4
304.10922	13.6
305.08060	4.9
305.11609	24.9
306.12668	0.7
307.08560	0.8
307.13193	4.5
308.13895	0.7
309.11258	0.9
319.08899	1.9
320.10464	5.1
321.11209	28.4
322.10727	7.9
334.10855	5.0
335.12817	11.5
336.13541	70.7
337.10583	4.5
339.16022	1.0
352.12939	3.9
365.13895	0.7
367.15378	100.0
407.51968	0.5
427.17493	26.8
442.85355	0.5
496.26093	0.5
510.70007	0.6
515.20825	0.9
527.20282	2.3
575.22449	1.8
598.70642	0.5
996.37842	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.5
69.07067	3.8
71.08629	16.0
73.02928	10.0
79.05450	0.8
81.07063	10.2
83.08622	8.8
85.02910	56.1
85.10184	11.1
91.03957	61.3
92.60352	0.7
95.08602	21.2
97.02896	29.1
97.10153	7.7
99.04436	3.4
99.11793	0.9
100.94672	0.7
103.03951	0.9
109.10159	10.9
111.11750	1.3
115.03919	3.4
117.05508	0.8
123.11712	7.8
127.03912	19.5
137.13272	4.4
142.05940	0.8
145.04958	29.9
145.06078	1.3
155.28403	0.8
163.06017	49.0
221.22777	1.0
239.23674	10.5
257.24707	3.5
303.54861	0.8
307.10135	1.0
313.27368	46.5
320.09177	13.6
321.09555	7.8
325.11267	40.9
331.28427	100.0
336.12411	0.9
389.91708	0.9
475.33051	1.4
487.16403	4.7
493.33871	5.4
665.80505	0.9
902.88513	0.9
996.39386	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16880	0.4
69.52465	0.4
69.86504	0.5
71.07362	1.0
81.07059	0.9
84.09574	0.4
86.09711	22.0
95.08630	0.9
98.98451	0.4
104.10748	72.0
107.74950	0.4
125.00009	9.1
139.37846	0.5
149.14012	0.4
163.01543	0.6
184.07338	100.0
258.10767	0.5
273.20624	0.5
337.27274	0.8
397.20447	0.5
502.33228	3.5
520.34003	80.0
997.43890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0401
Annotation	2-Hydroxy-2-methylpropanoate
Peak:m/z	Relative Intensity
55.01884	1.0
56.71114	0.2
57.03452	100.0
58.90587	0.2
59.01382	15.8
59.05024	2.7
63.47432	0.2
64.64434	0.2
66.78101	0.2
68.68239	0.2
71.17554	0.2
73.02940	0.9
73.76543	0.2
80.77951	0.2
83.01392	0.3
85.02946	52.2
88.00753	0.2
97.50172	0.2
101.02442	25.1
103.00365	1.2
103.04009	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10467	0.2
59.01379	14.3
59.14061	0.2
72.99301	33.6
75.00864	33.7
96.37763	0.2
103.00372	1.1
105.01927	100.0
111.25774	0.2
119.55062	0.2
124.45789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0192
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01381	16.8
72.99303	35.9
75.00865	36.8
77.55819	0.2
94.64120	0.2
98.09608	0.2
103.00356	0.7
105.01928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0295
Annotation	Pyrocatechol
Peak:m/z	Relative Intensity
58.35791	0.3
59.43088	0.3
66.03466	0.4
67.03012	1.9
71.01169	0.3
81.03459	2.0
82.02986	0.4
87.15817	0.3
91.01886	0.8
108.02168	5.3
109.02947	100.0
109.04128	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08953	0.3
66.01236	0.4
79.52980	0.3
81.03456	1.6
91.01894	0.7
108.02171	7.8
109.02944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9851
Annotation	Monomethyl phosphate
Peak:m/z	Relative Intensity
55.01865	0.1
60.26035	0.1
62.96412	0.1
65.03940	0.1
66.97978	0.1
67.01892	1.1
69.03455	0.1
71.53899	0.1
76.24362	0.1
78.88470	0.2
78.95895	100.0
79.03545	0.1
79.95725	0.3
81.03450	0.8
81.77465	0.1
83.05016	2.0
93.03447	1.1
104.12180	0.1
104.68140	0.1
109.02931	0.1
110.97575	1.3
110.98512	4.0
111.00858	1.8
111.02016	0.1
111.04502	1.4
117.97941	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01883	2.9
58.97182	0.7
66.35799	0.7
67.01891	63.2
69.03442	1.2
70.83771	0.7
78.95901	9.9
81.03452	9.8
83.01386	2.9
83.05022	11.7
85.02959	1.3
90.57247	0.7
92.55389	0.6
93.03454	3.6
109.02974	2.8
111.00878	100.0
111.02063	3.0
111.04509	69.3
111.08130	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75362	0.5
59.26357	0.5
62.02040	0.5
67.01892	56.5
70.81845	0.5
74.01601	0.6
83.01373	0.6
86.18369	0.6
87.13739	0.5
111.00878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.47499	0.6
56.01677	0.7
57.09434	0.9
61.25361	0.8
65.22186	0.8
67.01892	58.4
69.64487	0.7
70.23016	0.8
75.02550	0.9
88.49110	0.8
96.71932	0.8
111.00877	100.0
111.04524	0.9
113.51147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0451
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.05157	0.1
50.22399	0.1
55.01877	0.6
62.96424	0.1
65.03962	0.2
67.01894	3.7
69.03450	0.4
71.01385	0.1
74.56052	0.1
78.68051	0.1
78.95905	100.0
81.03464	3.1
83.01382	0.2
83.05026	7.2
93.03451	4.4
107.95918	0.1
109.02947	0.5
110.97693	0.2
110.98527	4.5
111.00876	4.1
111.01779	0.1
111.01946	0.1
111.04512	7.1
120.47611	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0452
Annotation	Sorbic acid
Peak:m/z	Relative Intensity
52.21099	0.3
55.01888	0.8
56.63911	0.3
66.60506	0.3
67.01888	3.5
69.03461	0.8
78.95885	0.9
81.03455	15.0
83.01390	1.5
83.05018	8.4
93.03458	2.9
109.02954	4.0
111.00904	4.9
111.04513	100.0
123.66063	0.4
129.47556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.12596	0.6
61.03553	0.6
65.03957	0.9
66.33205	0.7
67.01898	6.7
68.81830	0.7
76.67143	0.8
78.95912	1.4
79.66386	0.7
81.03455	12.5
83.01399	1.0
83.05020	13.7
83.11995	0.7
86.00546	0.8
93.03460	5.1
109.02917	2.9
111.00862	10.7
111.02016	5.6
111.04509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9856
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
55.01877	0.3
57.03454	1.3
62.05507	0.1
67.01888	0.1
68.93350	0.1
68.99571	100.0
69.03449	0.5
69.05621	0.1
72.01749	0.1
81.03447	0.1
83.01373	0.1
84.02167	0.4
85.02946	4.0
95.01381	0.1
112.98560	5.6
113.02446	2.5
113.03561	0.7
124.62234	0.1
132.57713	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.22539	0.9
56.79412	0.8
57.03452	100.0
61.80279	1.0
67.89137	0.9
68.99567	11.3
69.03454	5.9
73.74100	1.0
74.17370	1.0
75.27129	1.0
85.02954	16.2
85.06589	5.8
85.90907	1.1
97.06565	2.0
103.36275	1.1
111.08139	5.1
113.02430	19.3
113.03559	6.2
113.09718	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0972
Annotation	2-Heptanone
Peak:m/z	Relative Intensity
52.49570	0.6
55.01874	1.3
56.35594	0.6
57.03451	100.0
68.99568	22.6
69.03451	8.8
69.03698	0.5
73.47050	0.6
74.86849	0.6
81.03461	1.6
84.02188	1.4
85.02947	22.4
85.06567	6.1
94.55821	0.7
95.40453	0.9
97.06589	3.7
111.08151	6.3
113.02435	27.3
113.03574	11.3
113.09716	56.9
125.97636	0.8
131.70302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.40891	0.3
71.01378	100.0
71.05029	0.5
72.11341	0.4
89.70415	0.4
97.02946	0.9
98.69597	0.4
114.93413	0.5
115.00356	11.0
115.04024	0.6
130.65787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02866	0.5
52.15739	0.7
59.01363	0.8
69.03452	1.5
69.62809	0.7
71.01379	100.0
71.05012	5.4
73.04052	0.9
85.02952	3.7
97.02948	5.5
114.93402	4.4
115.00374	11.5
115.03992	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Fumarate
Peak:m/z	Relative Intensity
69.03441	4.6
70.60776	0.6
70.88662	0.6
71.01377	100.0
71.05013	5.8
72.83803	0.6
85.02946	25.2
87.04487	0.6
97.02941	46.3
115.00362	11.9
115.03998	30.4
115.04813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.04
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
56.06102	0.6
56.82573	0.8
62.77142	0.7
68.64191	0.7
69.03452	11.3
71.01377	78.5
71.05016	42.1
85.02946	61.6
87.04490	0.9
97.02943	100.0
114.93414	1.5
115.00336	8.8
115.03996	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.04
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
59.79897	0.6
69.03458	11.4
71.01381	11.2
71.05018	18.6
83.27805	0.9
85.02945	57.8
87.04534	0.9
96.49570	0.8
97.02943	100.0
100.23351	0.7
105.15652	0.9
113.02408	1.1
114.93401	0.8
115.04004	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0764
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
53.19997	0.2
59.01382	0.4
71.01377	15.3
71.05006	1.8
71.18753	0.3
73.04027	0.3
83.33477	0.3
85.02959	2.7
97.02954	4.1
97.93116	2.4
113.11469	0.3
114.93407	8.2
115.00391	1.6
115.04010	4.3
115.07639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
59.01370	0.4
65.06488	0.2
66.69531	0.2
71.01385	0.2
71.05030	0.2
73.02943	100.0
73.49820	0.2
81.21604	0.2
84.87539	0.2
84.88151	0.2
88.51288	0.2
97.03129	0.2
99.00875	10.4
104.99292	0.2
105.73356	0.2
116.92850	0.3
117.01929	25.6
118.50856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
61.57117	0.1
63.81517	0.1
71.01380	0.2
73.02945	100.0
75.29105	0.1
75.48976	0.1
80.76398	0.1
91.22688	0.1
99.00875	10.5
108.51104	0.2
109.60203	0.2
117.01935	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.60323	0.1
55.01886	0.3
73.02942	100.0
74.30047	0.2
99.00873	10.8
110.31112	0.2
116.92823	0.3
117.01931	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10899	0.2
55.01891	0.7
59.01400	2.1
60.39491	0.2
71.01376	1.3
71.05027	0.3
73.02944	100.0
77.49794	0.2
84.29974	0.2
87.00855	1.4
99.00875	9.8
99.92577	0.9
116.92860	3.9
117.01936	25.7
117.05597	0.5
117.07526	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0146
Annotation	Aminomalonate
Peak:m/z	Relative Intensity
51.53857	8.5
72.00915	41.0
73.02945	36.7
74.02468	76.2
74.02898	12.7
74.03263	100.0
100.01220	9.4
118.01476	10.4
118.02261	44.6
118.02968	28.2
118.05083	21.6
124.84703	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88808	0.5
64.75294	0.7
67.60307	0.8
72.22745	0.6
74.03270	0.9
79.95760	0.9
85.39834	0.6
90.03499	2.9
92.51783	0.7
117.92876	4.6
118.02987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0298
Annotation	PHENYL ISOCYANATE
Peak:m/z	Relative Intensity
56.53469	0.5
72.00934	0.5
74.03310	0.8
74.04929	0.5
76.55076	0.5
90.03485	2.4
100.92606	1.9
117.92867	7.2
118.02980	100.0
121.73743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57918	0.2
59.01385	2.5
59.60734	0.2
60.26303	0.2
61.32624	0.2
62.91980	0.2
68.24863	0.2
71.01370	0.4
72.99304	1.0
73.02938	0.2
75.00864	0.5
80.90932	0.2
88.99001	0.2
93.03465	1.3
101.92434	0.4
118.92634	3.2
118.93417	0.4
119.05021	100.0
130.94426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.68196	0.2
55.08785	0.2
59.01376	0.7
59.38636	0.3
87.27227	0.3
90.54866	0.3
91.97524	0.3
93.03446	1.3
101.92397	1.4
102.17041	0.3
118.92646	6.3
119.05015	100.0
127.77445	0.3
138.29134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.89822	0.4
57.32297	0.4
58.00740	0.4
58.66635	0.5
59.01369	0.7
93.03450	2.3
115.03090	0.5
118.92683	1.8
119.05021	100.0
120.68730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.20775	0.2
54.36878	0.2
55.42295	0.3
55.62377	0.2
59.01373	2.8
59.82924	0.3
66.11081	0.3
71.01383	0.7
71.39562	0.3
72.99282	0.3
73.02913	0.5
74.62875	0.3
75.00886	0.3
83.10688	0.3
93.03453	1.5
101.92406	0.4
105.12057	0.3
112.64623	0.3
117.03466	0.4
118.92596	2.9
118.93410	0.5
119.05017	100.0
121.19460	0.3
127.29935	0.3
138.91451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01378	1.5
59.52836	0.2
71.01366	0.4
71.15371	0.3
89.80047	0.3
93.03444	1.4
117.03415	0.3
118.64121	0.3
119.05017	100.0
130.37184	0.3
136.78343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.28612	0.1
64.48456	0.1
92.02676	0.2
93.03447	0.7
95.01373	0.2
108.02184	0.8
120.02192	0.2
121.02947	100.0
133.57509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0659
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
62.64482	0.3
76.64346	0.2
80.33058	0.3
91.79745	0.3
93.03468	1.1
100.04391	0.3
106.04226	3.0
118.68572	0.3
119.05018	0.3
121.02953	48.1
121.06585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0248
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
55.01799	0.2
66.03487	3.2
86.49296	0.2
94.02980	62.3
103.08743	0.2
118.05524	0.2
122.02479	100.0
138.01978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
56.58014	0.8
59.42479	0.8
67.01897	1.3
68.99802	0.8
80.05061	5.9
81.03456	1.8
93.03439	4.3
95.01379	46.0
95.03316	5.0
95.05023	12.7
108.02165	1.8
121.02902	1.1
122.03716	13.5
123.00886	32.8
123.02836	10.0
123.04514	100.0
140.81302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
56.59627	0.1
62.88470	0.1
68.20007	0.1
80.02661	0.1
80.05062	0.1
81.03437	0.1
84.62814	0.1
91.01243	0.1
93.03443	0.1
95.01376	2.8
95.03361	0.1
95.05028	0.4
105.03440	0.3
108.02174	2.6
110.43187	0.1
121.02979	0.2
122.03735	5.4
123.00931	2.4
123.04515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0074
Annotation	Taurine
Peak:m/z	Relative Intensity
66.03502	0.7
79.95739	47.6
91.41681	0.6
94.02977	5.6
96.04552	4.6
106.98067	1.2
124.00736	100.0
124.04042	18.8
124.04937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0244
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
67.01911	0.2
69.03456	4.9
79.01889	0.8
81.03454	3.8
83.01377	0.8
89.58138	0.2
95.01373	0.4
95.03355	0.2
97.02943	5.7
97.06611	0.2
107.01373	0.3
111.34333	0.2
124.01672	0.4
125.02436	100.0
125.06060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37113	1.0
55.01886	11.6
55.29393	0.9
58.67664	0.9
61.39112	0.9
69.03443	5.4
70.47533	1.0
71.05019	57.5
71.05416	1.9
73.19444	1.0
81.03461	2.2
83.05024	12.0
87.61077	1.0
90.47379	1.1
97.02946	2.8
97.06558	2.5
98.88107	1.0
108.90086	1.2
110.93858	1.0
123.08170	12.3
125.02446	23.7
125.04380	1.2
125.09711	100.0
131.03319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0972
Annotation	1,5Z-Octadien-3S-ol
Peak:m/z	Relative Intensity
53.00466	2.6
54.14217	2.2
55.11713	2.6
57.03442	15.4
69.03456	16.7
73.82185	2.6
75.73049	2.4
81.03460	3.0
97.02970	11.8
97.06591	48.9
123.00966	3.0
123.08173	37.9
125.02447	78.6
125.03405	5.0
125.09720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0972
Annotation	1,5Z-Octadien-3S-ol
Peak:m/z	Relative Intensity
54.05437	2.4
57.03447	19.2
60.29093	2.2
69.03455	4.5
92.23242	3.2
95.05011	4.0
97.06572	48.5
111.88854	3.1
118.51694	2.8
123.08175	36.7
125.02448	18.7
125.09715	100.0
126.38861	2.8
130.99733	3.1
134.82092	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0971
Annotation	2-Isopropylcyclopentanone
Peak:m/z	Relative Intensity
55.01871	11.7
57.94073	1.7
60.77137	1.6
65.15410	1.6
69.03461	16.6
70.73837	1.7
71.05016	72.8
73.43481	2.1
81.03451	11.4
83.05032	12.3
93.86742	2.0
97.02919	10.8
97.06580	3.9
123.08157	10.5
125.02442	80.1
125.03464	3.0
125.04386	4.5
125.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.04
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
52.67222	1.1
55.01870	2.3
55.25602	1.4
59.67414	1.5
81.03452	18.5
82.94605	1.9
83.05019	31.4
85.02940	8.9
88.25957	1.6
92.22471	1.8
95.01406	2.9
109.02835	2.1
127.00339	2.1
127.03056	3.4
127.04006	100.0
134.65590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.04
Annotation	Dihydrophloroglucinol
Peak:m/z	Relative Intensity
62.11956	0.5
73.07931	0.5
74.34201	0.5
81.03455	13.9
83.05024	1.2
93.22459	0.5
110.26221	0.6
125.31680	0.5
127.04008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16747	1.4
55.49177	1.4
56.31871	1.7
60.60962	1.6
66.46063	1.7
71.05038	2.3
81.03470	17.2
83.05035	30.2
85.02951	14.1
87.91811	1.9
95.96170	1.6
99.04516	4.3
127.00346	4.0
127.04012	100.0
127.07555	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
50.94970	1.5
58.99645	1.9
71.34592	1.5
73.48943	1.7
79.36626	1.6
81.03442	13.0
83.05024	22.0
85.02943	3.8
85.20813	2.4
91.46761	1.6
98.53448	2.0
127.00365	7.6
127.03045	3.5
127.04005	100.0
135.47581	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1128
Annotation	2,3-Diisopropyloxirane #
Peak:m/z	Relative Intensity
60.24644	1.8
61.81140	2.0
65.51070	2.0
66.09827	2.0
68.40394	2.0
71.05013	63.8
83.05017	12.1
99.08126	3.9
113.70750	2.2
115.59960	2.8
116.23383	2.7
117.24649	2.0
117.25535	2.9
125.09711	11.4
126.99561	4.2
127.04025	3.4
127.07587	2.4
127.11276	100.0
134.62607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1129
Annotation	2,3-Diisopropyloxirane #
Peak:m/z	Relative Intensity
52.04086	1.6
55.01883	1.7
71.05022	49.6
75.42952	1.7
81.03462	2.4
83.05023	11.7
85.02933	7.8
90.39941	1.6
99.04504	2.4
99.08163	2.5
109.02907	2.7
110.53011	2.0
120.36378	1.9
125.09711	13.7
126.90494	4.2
127.00407	2.3
127.04008	11.1
127.04910	1.6
127.07623	2.1
127.11281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20404	0.2
59.99224	0.2
73.01659	0.2
73.61005	0.3
74.31020	0.2
82.03007	1.9
82.03414	0.3
84.04532	0.4
92.67963	0.2
98.34307	0.3
128.03540	100.0
128.07126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0353
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
53.06474	0.3
57.06087	0.2
57.90236	0.3
75.52406	0.2
82.02974	2.0
84.04543	0.4
107.79363	0.3
108.00658	0.2
119.62612	0.3
128.03535	100.0
149.42775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12289	0.2
66.05949	0.2
73.30025	0.2
74.66142	0.2
74.66979	0.2
80.86159	0.2
82.02972	1.8
84.04530	0.5
89.93887	0.2
92.24133	0.2
94.23729	0.2
99.77277	0.2
101.70856	0.2
127.77622	0.2
128.03534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
54.09531	0.1
67.09140	0.2
77.45512	0.1
79.35918	0.1
84.94736	0.1
85.02943	100.0
85.59722	0.2
109.39240	0.2
116.09108	0.2
116.14541	0.2
119.42760	0.2
129.01935	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.12213	0.2
55.05265	0.2
59.29855	0.3
67.26721	0.3
80.62285	0.3
82.06644	0.3
84.08186	1.2
86.06107	7.9
86.06599	0.4
87.13220	0.3
88.04050	3.5
88.04499	0.4
97.74879	0.3
112.04043	4.1
113.93701	0.3
122.40081	0.3
130.05098	3.3
130.08736	100.0
137.21646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
52.59079	0.3
57.03436	0.7
59.01387	0.7
69.03464	0.6
71.01379	0.6
73.02946	4.8
78.60432	0.4
78.92849	0.3
83.05033	0.5
85.02947	3.4
85.06586	100.0
86.26622	0.4
87.04515	2.4
113.06084	1.8
129.05573	0.7
131.03496	2.6
131.07137	77.6
134.82196	0.3
147.50748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
50.18747	0.2
59.01382	0.4
62.01384	0.2
69.03457	3.5
71.01336	0.3
73.02940	2.6
82.42165	0.2
85.02943	1.6
85.06585	100.0
87.04488	1.1
90.73193	0.2
91.51939	0.3
110.03438	0.2
113.06055	3.2
125.01221	0.3
129.05586	1.6
131.03505	1.2
131.07135	82.7
146.55717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84140	0.1
55.13086	0.1
59.01390	0.4
60.97660	0.1
62.89227	0.1
68.46178	0.1
71.01380	45.1
72.99306	9.7
87.00884	1.1
89.02440	7.0
102.47855	0.1
103.03977	0.2
115.00367	100.0
130.50313	0.1
133.01431	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.36557	0.2
58.17646	0.2
59.01376	0.6
62.76392	0.3
65.96828	0.2
66.36821	0.2
71.01376	47.4
71.94588	0.2
72.99301	9.2
72.99685	0.5
76.91985	0.3
87.00874	1.1
89.02433	7.1
89.02946	0.3
107.97337	0.2
115.00361	100.0
133.01424	32.6
133.02911	0.3
136.57272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42092	0.3
53.44962	0.3
59.01382	0.3
60.79825	0.2
62.31967	0.3
62.88177	0.2
66.28761	0.2
71.01376	45.3
72.99305	10.2
75.32320	0.2
77.06778	0.2
81.15070	0.2
87.00862	1.1
89.02441	6.6
115.00361	100.0
133.01427	31.8
133.02898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.23830	0.2
59.01382	0.9
63.82513	0.2
64.60697	0.2
71.01380	46.1
72.99306	9.7
80.41739	0.2
85.02945	0.4
87.00866	0.8
89.02440	7.5
103.04020	1.8
115.00367	100.0
133.01431	31.6
133.02908	0.3
133.05058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71998	0.2
59.01364	0.2
71.01378	45.6
71.56216	0.2
72.63403	0.2
72.99309	10.0
84.51698	0.3
87.00879	1.2
89.02440	7.3
115.00362	100.0
133.01425	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43792	0.2
55.27054	0.2
55.30357	0.2
59.01381	0.4
65.08566	0.2
67.30347	0.2
71.01376	43.5
72.99300	9.8
87.00856	1.0
89.02435	6.5
115.00359	100.0
115.31440	0.2
118.68476	0.3
121.17830	0.2
133.01425	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.53941	0.2
59.01380	0.5
59.16513	0.2
59.77776	0.2
64.10201	0.2
71.01381	47.9
72.99304	10.9
80.99218	0.2
81.98815	0.2
87.00887	1.2
89.02449	6.0
103.03973	0.5
103.33047	0.3
115.00366	100.0
132.89374	0.3
133.01434	36.6
133.03027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77638	0.2
56.73212	0.2
58.78548	0.2
59.01385	0.3
59.60746	0.2
62.80158	0.2
71.01377	44.5
72.99301	10.0
72.99689	0.4
81.14650	0.2
83.17363	0.2
87.00881	1.2
89.02438	7.5
112.14492	0.3
115.00362	100.0
133.01424	30.7
133.02890	0.3
151.84390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.03456	0.5
59.01398	0.5
71.01378	44.6
72.99306	8.4
72.99692	0.4
85.02936	2.0
87.00867	1.3
87.84828	0.2
89.02439	6.5
101.02424	0.6
103.04013	6.0
115.00362	100.0
133.01425	36.0
133.05066	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.26028	0.2
59.01380	0.5
65.31486	0.2
71.01377	45.8
72.99302	10.1
82.71674	0.2
87.00880	1.2
89.02434	6.9
93.75717	0.3
97.88469	0.2
115.00362	100.0
120.08392	0.2
133.01425	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
55.01889	0.2
57.03448	0.3
57.20011	0.2
57.59269	0.2
59.01369	0.9
71.01379	44.6
72.99302	9.5
72.99687	0.4
85.02947	0.9
87.00854	1.6
87.04518	0.3
89.02441	7.6
102.29546	0.2
103.04015	1.9
105.03471	0.3
115.00364	100.0
132.02174	2.1
132.86787	1.1
133.01431	31.3
133.02960	31.0
133.05026	3.4
133.06580	3.0
143.30470	0.2
144.96115	0.3
146.01631	0.2
148.10536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
57.03451	15.9
57.08700	0.3
59.01394	0.5
59.05016	1.6
66.70724	0.3
71.01379	44.3
71.04988	0.6
72.99306	9.3
83.01457	0.4
85.02947	32.4
87.00883	0.8
87.04520	0.6
89.02436	7.1
97.02946	2.0
101.02441	10.8
103.04008	85.3
115.00364	100.0
115.03986	4.8
133.01428	35.6
133.05060	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	20.1
58.68609	0.2
59.01384	0.3
59.05020	1.4
71.01380	30.1
71.05013	0.5
72.99301	6.8
85.02947	37.9
87.00880	0.6
87.04517	1.6
89.02437	5.5
97.02950	2.2
101.02447	11.3
101.03088	0.5
103.04010	100.0
115.00365	67.0
115.03985	5.1
133.01431	22.2
133.05067	27.9
145.11517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0506
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
57.03453	20.1
58.68609	0.2
59.01384	0.3
59.05020	1.4
71.01380	30.1
71.05013	0.5
72.99301	6.8
85.02947	37.9
87.00880	0.6
87.04517	1.6
89.02437	5.5
97.02950	2.2
101.02447	11.3
101.03088	0.5
103.04010	100.0
115.00365	67.0
115.03985	5.1
133.01431	22.2
133.05067	27.9
145.11517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0506
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
56.93890	0.2
57.03453	19.1
59.01380	0.5
59.05037	1.6
59.52196	0.2
71.01379	39.7
71.05029	1.0
72.99305	8.8
72.99695	0.4
85.02948	41.6
87.00887	1.2
87.04509	1.4
89.02444	6.0
97.02939	2.3
101.02442	12.4
103.04011	100.0
115.00366	87.9
115.04005	5.4
133.01434	26.9
133.05069	25.3
141.84627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28283	0.6
57.32692	0.7
59.48539	0.6
63.15349	0.7
65.22988	0.6
68.95948	0.6
70.59452	0.8
72.01733	1.5
72.09818	0.7
86.34668	0.8
93.31494	0.6
98.67712	0.8
104.41601	0.7
106.04257	8.2
107.03640	1.8
116.00710	8.9
134.03764	100.0
134.04735	16.4
144.13435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60393	0.4
68.09167	0.6
72.01726	1.1
80.09697	0.5
100.81458	0.6
106.04257	7.7
116.00682	5.3
126.81956	0.6
134.03749	100.0
134.04674	5.7
140.70656	0.6
151.81819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12344	0.5
63.86880	0.5
71.01379	1.1
72.01694	4.4
81.51002	0.7
106.04239	6.3
107.03619	1.2
116.00707	10.9
134.01688	2.9
134.02570	5.4
134.03749	100.0
134.04703	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60031	0.8
60.15087	0.7
71.01382	0.9
72.01731	2.3
84.98693	0.8
86.77522	0.9
89.18454	0.8
106.04249	6.7
116.00713	8.0
134.03760	100.0
134.04723	11.7
136.22771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22521	0.5
50.33149	0.6
51.31292	0.5
51.40126	0.5
61.40084	0.6
72.01717	3.5
74.59914	0.6
94.87814	0.7
94.99815	0.6
106.04247	6.6
116.00714	9.1
134.01718	3.1
134.03740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95118	0.2
71.01373	0.3
72.01723	1.1
88.81709	0.3
91.02541	0.2
92.23058	0.4
106.06625	35.4
107.03629	0.2
116.00745	2.6
134.04729	4.8
134.06125	100.0
149.08633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0612
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
55.81738	0.3
57.13461	0.3
58.18371	0.3
65.75348	0.3
66.03484	0.6
72.01713	0.4
76.06088	0.4
95.04558	0.4
97.66902	0.4
106.06621	39.0
116.00687	0.9
121.63611	0.4
134.04797	3.6
134.06120	100.0
140.86761	0.5
154.19768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
53.00278	0.2
53.43444	0.2
59.01386	7.2
71.01376	2.9
72.99308	9.0
75.00871	100.0
83.28030	0.3
87.00880	0.5
89.02441	4.2
89.34412	0.3
99.00851	0.4
101.34779	0.3
109.98985	0.3
117.00826	1.6
117.01941	8.3
135.03004	62.7
142.22656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
50.83918	0.4
53.15595	0.3
54.81015	0.4
75.00871	0.8
75.26382	0.4
77.89286	0.4
87.00869	0.5
91.05531	0.6
96.48623	0.4
103.45728	0.4
107.05043	3.6
117.97021	0.5
134.03757	4.6
135.04527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86796	0.3
66.46973	0.3
75.00863	0.5
85.70946	0.4
93.03481	0.5
106.04263	0.4
107.05038	3.5
117.00787	0.3
134.03735	4.7
135.04529	100.0
141.84686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77213	0.2
75.00853	2.3
83.54531	0.2
87.84863	0.3
91.05516	0.3
101.79031	0.3
106.04270	0.4
107.05035	2.5
117.03412	0.4
134.03735	5.2
134.89511	0.4
135.04527	100.0
140.66119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97591	0.4
51.00728	0.4
56.86722	0.4
65.83867	0.6
65.89566	0.6
76.89862	0.5
80.69296	0.5
86.70708	0.5
93.03462	0.7
106.04228	0.6
107.05028	4.4
117.00786	0.7
134.03757	4.9
135.04527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
74.60085	0.3
75.00871	1.4
79.07236	0.2
81.43140	0.3
85.94196	0.3
89.71752	0.3
91.47932	0.2
107.05021	2.6
110.72736	0.3
134.03734	4.9
135.04524	100.0
148.16228	0.3
152.75650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11745	0.2
55.34311	0.2
55.75465	0.2
57.36293	0.2
59.01374	0.3
66.25449	0.2
68.09676	0.2
71.01386	0.3
75.00868	2.6
106.04228	0.9
107.05032	4.3
117.00769	0.3
117.03471	0.3
134.03740	5.2
134.86574	0.4
134.89481	0.5
135.04527	100.0
142.94450	0.2
148.05299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27764	0.2
58.47306	0.2
59.33574	0.2
60.07654	0.2
61.56679	0.3
73.00425	0.3
75.00864	2.2
91.05531	0.5
106.04204	0.5
107.05025	2.0
117.03474	0.4
131.55208	0.3
134.03728	4.8
135.04520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
71.01360	0.3
75.00874	4.3
87.00900	0.2
89.02478	0.3
91.05528	0.5
106.04240	0.3
107.05031	3.6
108.70425	0.3
117.03486	0.3
119.88593	0.2
133.02927	0.2
134.03745	5.7
135.02916	3.1
135.04529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70951	0.2
61.64405	0.2
62.76134	0.3
75.00860	0.5
83.32070	0.3
87.94441	0.2
92.23131	0.3
95.02111	0.3
106.04237	0.4
107.05031	3.1
114.39788	0.4
134.03726	5.6
135.04529	100.0
147.47519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
52.30560	0.3
62.18599	0.3
66.58664	0.3
69.61354	0.3
75.00903	0.4
79.86639	0.3
91.05524	0.3
107.05032	2.7
116.22110	0.3
117.03481	0.4
134.03732	5.4
135.04526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
72.99303	0.8
75.00867	10.5
85.02920	0.4
88.56696	0.4
89.02471	0.6
91.05544	0.4
98.13196	0.4
106.04218	2.7
107.05022	10.4
117.00887	0.5
117.01875	0.6
122.33020	0.4
130.10448	0.4
134.03754	5.0
134.86543	0.4
134.89427	1.7
135.03090	5.1
135.04526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62426	0.3
72.75272	0.3
75.00849	0.6
75.70484	0.3
95.28513	0.3
95.39917	0.3
96.95855	0.3
107.05025	2.7
112.29855	0.3
117.03465	0.4
134.03729	4.7
135.04521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84393	0.6
52.06277	0.7
54.33531	0.7
60.05775	0.7
62.42038	0.8
76.01217	0.9
92.02666	9.6
93.03444	1.5
94.03786	2.1
95.01373	6.8
95.80942	0.8
102.79704	1.1
108.01424	1.7
108.02169	54.7
108.04594	1.8
108.05350	1.5
136.01660	100.0
136.04005	14.4
136.04874	24.4
136.07707	3.7
154.57808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0404
Annotation	Salicylamide
Peak:m/z	Relative Intensity
54.33339	0.5
55.07070	0.6
62.77604	0.5
64.76379	0.5
91.01889	4.1
92.05045	1.2
92.22544	1.0
93.03447	21.4
94.02969	0.8
108.02185	0.9
108.04510	0.6
110.79724	0.6
118.02987	44.6
136.01723	3.1
136.04039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79787	0.3
51.90764	0.3
65.38711	0.3
69.38673	0.3
91.01884	5.2
92.02656	0.3
92.05052	0.6
93.03449	19.7
108.02162	2.3
115.09636	0.3
118.02986	48.8
136.01831	4.6
136.04041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0403
Annotation	Salicylamide
Peak:m/z	Relative Intensity
50.71143	0.3
52.72044	0.3
60.47100	0.3
60.47819	0.3
66.03457	0.3
67.67392	0.3
87.04556	0.3
90.54551	0.3
91.01896	3.3
92.05054	1.7
93.03448	18.6
108.02212	0.5
114.16759	0.3
118.02979	41.8
134.63402	0.4
136.01866	2.4
136.04036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0767
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
66.97089	0.4
108.08189	6.8
121.05322	19.6
129.06508	0.4
133.00703	0.4
135.03284	0.7
136.04088	5.2
136.07677	100.0
137.15382	0.4
152.03453	1.4
153.04291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0768
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
54.13616	0.5
58.94698	0.5
68.24231	0.5
71.76794	0.6
75.84802	0.6
83.26614	0.6
92.05051	4.1
94.03002	0.7
95.05017	12.4
108.02168	2.7
108.04549	3.7
121.05328	30.0
136.01680	4.9
136.04034	12.8
136.04913	2.9
136.07681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69470	0.1
53.67489	0.2
53.99550	0.2
56.99921	0.1
59.01385	0.2
65.03953	1.1
70.59743	0.2
71.01380	0.2
74.99095	3.1
75.00867	2.0
77.01295	2.5
79.95724	0.4
81.03470	0.2
82.29306	0.2
93.03452	100.0
104.36293	0.2
109.02956	2.0
109.03610	0.3
122.20199	0.2
128.05086	0.2
136.99168	0.5
137.02455	27.2
137.03455	3.4
137.06091	0.4
139.72783	0.2
149.27051	0.2
150.23714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71044	0.3
60.17954	0.3
74.57652	0.3
75.08926	0.3
81.03439	0.6
93.03447	69.4
108.02134	1.4
109.02279	0.3
109.02921	2.6
125.47870	0.4
131.32588	0.3
136.01663	2.5
137.02441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.10690	0.1
62.91455	0.1
65.03970	0.5
76.79747	0.1
82.53731	0.1
91.69529	0.1
92.23016	0.1
93.03457	100.0
94.43894	0.1
109.02949	0.2
137.02451	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.56341	0.2
52.99063	0.2
54.19973	0.2
55.90129	0.1
65.03967	1.2
65.19404	0.2
83.92852	0.2
93.03453	100.0
137.02449	18.7
148.25803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53222	0.2
64.01653	0.2
65.03965	0.6
83.15217	0.3
93.03451	100.0
124.53039	0.3
128.26228	0.2
137.02448	37.4
138.04071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.72195	0.1
94.02953	0.2
108.02165	26.1
130.30603	0.1
136.99622	0.1
138.01961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
52.52410	0.4
52.56042	0.2
58.93533	0.3
60.04432	0.4
87.41393	0.3
87.41959	0.3
88.89177	0.3
93.03461	0.5
93.38278	0.3
94.02991	1.9
94.03780	4.1
95.05035	1.3
95.36288	0.3
110.06084	0.4
120.04549	0.7
123.03263	64.9
138.05614	100.0
152.21001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0037
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
51.02382	0.2
60.70409	0.2
67.01896	5.8
80.69724	0.2
82.10096	0.2
83.01379	0.9
86.96803	0.2
91.41527	0.2
92.55634	0.2
92.99821	2.9
94.98078	0.7
95.01385	4.3
111.00877	100.0
117.77136	0.2
139.00378	66.3
146.96524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1129
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
52.39286	1.1
57.03476	1.4
69.03450	7.8
75.93124	1.3
83.05016	2.9
85.06590	17.9
95.05013	6.2
97.06590	24.4
111.00859	2.4
111.08152	2.4
111.44023	1.1
119.54915	1.1
123.08152	12.3
124.01641	2.1
135.59106	1.2
137.09729	2.9
139.04092	1.5
139.11293	100.0
150.42628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.1082
Annotation	Physoperuvine
Peak:m/z	Relative Intensity
55.01876	7.5
55.48275	1.0
56.74425	1.0
59.37757	1.0
61.05410	0.9
70.02995	1.2
109.90649	1.1
138.09251	10.3
140.03470	2.2
140.10815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0922
Annotation	1,2,7,8-DIEPOXYOCTANE
Peak:m/z	Relative Intensity
53.88932	0.5
57.16558	0.5
59.01382	25.7
61.29778	0.5
69.03451	1.1
83.01418	0.6
85.02951	0.8
93.79443	0.6
95.01398	0.8
97.06587	5.0
98.03727	8.8
99.08163	1.1
101.96883	0.6
111.00861	1.0
112.98815	15.5
113.09712	1.4
115.07613	1.0
122.61880	0.6
122.63200	0.5
123.00844	1.2
130.96811	0.5
138.98468	0.5
140.98306	21.7
141.01967	3.2
141.09219	100.0
147.34206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0922
Annotation	2-Octenoic acid
Peak:m/z	Relative Intensity
50.12357	0.6
53.82704	0.6
54.58089	0.6
56.85252	0.8
58.32736	0.7
59.01383	23.7
98.01392	0.8
111.00858	0.9
112.98820	1.5
115.29783	0.8
119.19328	0.8
127.58428	1.1
131.00301	0.8
136.71399	1.0
140.98404	1.3
141.01967	1.5
141.09221	100.0
145.99382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12357	0.6
53.82704	0.6
54.58089	0.6
56.85252	0.8
58.32736	0.7
59.01383	23.7
98.01392	0.8
111.00858	0.9
112.98820	1.5
115.29783	0.8
119.19328	0.8
127.58428	1.1
131.00301	0.8
136.71399	1.0
140.98404	1.3
141.01967	1.5
141.09221	100.0
145.99382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0508
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
50.09467	0.1
51.39035	0.1
54.90543	0.1
58.02978	8.7
70.98673	0.1
71.05016	1.0
98.06111	13.8
100.04040	100.0
142.05095	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1077
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
55.01870	0.4
57.03446	0.6
58.00593	0.3
59.01381	2.1
61.01777	0.5
69.03455	1.7
71.01382	4.2
71.05024	1.5
73.02934	1.4
81.03461	2.7
83.01394	0.4
85.02941	3.8
87.00863	0.8
87.04506	3.2
87.04963	0.3
97.02953	1.7
97.06616	0.6
99.04510	3.1
99.08145	0.6
100.92576	0.5
101.02438	0.5
107.47434	0.4
111.00874	0.7
113.02451	2.2
114.62025	0.3
115.03983	0.8
116.02547	0.8
125.02425	3.0
125.06068	0.8
143.02495	1.9
143.03526	6.7
143.07152	4.2
143.10776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
62.64611	0.1
69.67111	0.1
116.05047	0.2
124.74931	0.2
140.64661	0.1
142.02972	0.2
144.04550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0666
Annotation	15926-18-8
Peak:m/z	Relative Intensity
54.90267	0.6
58.02970	1.2
65.28647	0.5
82.02966	1.5
86.03284	0.7
98.06094	0.9
98.57512	0.6
100.04883	0.9
100.07679	31.3
102.05593	3.6
114.05553	0.7
116.07156	7.6
126.05568	1.0
137.94496	0.6
144.04547	7.0
144.06657	100.0
144.10316	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18601	0.2
57.03458	0.3
58.99611	3.0
62.82558	0.2
72.97532	1.5
73.01164	7.7
74.99086	0.3
77.62428	0.2
78.88605	0.2
83.05011	1.7
86.99110	0.3
89.00661	8.1
101.00661	100.0
101.06078	6.3
113.02450	1.6
117.00156	3.6
127.03947	0.5
129.97295	10.5
144.99648	26.4
145.05063	1.8
151.85704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0507
Annotation	3-METHYLGLUTARIC ACID
Peak:m/z	Relative Intensity
50.06703	0.6
57.03455	45.0
59.01379	10.4
63.28479	0.7
71.01378	17.2
71.05018	17.9
72.02152	1.4
72.69350	0.7
73.02944	9.0
77.33217	0.6
81.03452	3.5
83.01379	1.7
83.05029	28.4
85.02941	10.1
95.02307	0.7
99.04526	19.3
99.08146	0.9
101.02419	1.8
101.06087	35.9
101.06750	1.5
109.02950	3.3
119.46297	0.8
120.30643	0.8
127.04018	44.7
139.08450	0.7
143.03506	1.7
145.03123	2.6
145.05072	100.0
145.08696	1.4
152.14664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
74.82359	0.3
97.06580	0.7
99.08157	100.0
101.06071	0.8
123.23028	0.3
127.07663	3.1
143.07146	2.3
143.52223	0.4
144.96613	0.4
145.03001	0.5
145.05016	1.3
145.08711	64.9
149.38785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0458
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
55.51037	0.2
74.02465	2.4
82.60551	0.2
84.04549	1.1
85.02952	0.9
100.04034	0.5
101.02453	0.2
102.05605	100.0
116.03531	0.9
116.92357	0.2
128.03532	48.9
129.86250	0.2
142.13861	0.2
146.04594	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49987	0.8
55.01886	7.1
57.03453	19.7
59.01384	22.2
71.01382	24.3
71.05022	4.3
72.99301	17.9
73.02938	1.0
75.00872	25.3
85.02417	2.1
85.02946	88.5
87.00870	100.0
87.04499	1.0
89.02460	3.9
96.99281	1.0
99.00883	8.6
101.02447	14.3
101.06070	4.6
103.04007	20.7
119.05018	1.9
129.01945	57.6
147.02161	3.2
147.02997	71.7
147.04515	23.0
147.06633	40.6
157.35359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01887	2.7
56.34148	0.9
57.03455	2.9
58.53456	1.0
59.01381	8.7
59.28130	1.0
61.98835	1.1
71.01378	24.7
72.99298	4.7
75.00869	5.2
85.02934	2.8
87.00873	2.7
99.00876	2.5
100.14829	1.3
103.05535	8.6
114.10078	1.1
119.05010	6.0
129.01956	22.1
147.04524	100.0
161.27930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82919	1.6
52.60273	1.6
55.01890	15.7
57.03458	25.7
59.01387	40.9
71.01382	54.2
71.05022	8.9
72.99313	19.1
75.00866	22.2
85.02948	72.5
87.00871	69.0
89.02470	3.1
89.45663	1.9
99.00879	9.1
101.02451	12.1
101.06125	2.5
101.99228	1.8
103.00374	1.9
103.04005	22.7
103.05524	2.6
119.04963	3.7
127.77277	2.2
129.01949	100.0
147.01971	9.8
147.03001	58.0
147.04521	52.3
147.05623	3.8
147.06622	22.2
163.29344	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.96281	0.1
55.01880	0.1
57.03439	0.3
59.01385	0.3
71.01376	1.0
72.99287	0.3
85.02964	0.2
87.00849	0.2
92.67076	0.2
93.03446	0.2
117.03478	0.2
119.05026	4.2
129.01930	0.9
129.03445	1.1
147.04521	100.0
166.23839	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	3,6-Dideoxy-L-galactose
Peak:m/z	Relative Intensity
54.23943	0.4
55.01873	1.9
57.03449	1.0
59.01382	6.2
71.01383	4.7
71.05016	25.1
72.99277	1.8
73.02941	1.8
73.06588	5.0
74.29812	0.3
75.00863	2.6
81.75719	0.4
83.01382	0.4
83.05013	1.7
85.02939	4.7
87.00866	4.1
88.35883	0.4
99.00887	2.3
99.04506	0.5
101.06076	79.0
105.01950	1.6
119.05051	0.5
129.01912	5.7
129.05583	1.0
145.05067	2.2
147.02954	1.8
147.04587	2.5
147.06635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.01484	0.3
53.22142	0.4
58.05500	0.4
59.01364	0.6
59.41883	0.4
61.39339	0.4
65.00315	2.0
67.44136	0.3
68.74855	0.5
77.03970	11.4
81.03466	0.5
83.23036	0.5
89.02431	1.8
93.03451	14.7
95.01380	9.6
95.05019	13.6
104.78725	0.4
105.03439	3.5
105.45219	0.4
107.01407	0.5
113.95953	0.4
121.02946	55.8
123.04494	4.5
126.41042	0.5
127.63374	0.4
134.03705	0.9
139.04042	0.7
148.92368	0.7
149.02435	100.0
154.58360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88183	0.4
65.00318	3.0
77.03961	13.5
84.34850	0.4
88.17890	0.5
89.02438	1.0
93.03452	15.9
95.01382	10.2
95.05022	12.9
95.09677	0.5
105.03476	4.1
121.02948	59.8
123.04522	6.6
132.01009	0.5
134.03738	18.3
149.02444	100.0
150.74452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0243
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.64404	0.1
53.08799	0.1
54.30009	0.1
59.01382	1.4
59.63306	0.2
59.97829	0.2
64.50072	0.2
65.70914	0.2
71.01382	1.0
73.02941	0.9
74.39340	0.2
75.00869	0.2
76.03822	0.2
77.03971	0.8
79.36047	0.1
87.00883	0.2
89.02438	4.0
89.39305	0.2
92.02682	0.9
93.03461	1.8
95.01354	1.3
95.05014	1.7
101.02428	0.2
103.04016	0.3
105.03453	0.3
108.02166	3.6
110.79474	0.2
120.02180	0.9
121.02946	100.0
123.04492	0.9
131.03526	0.8
134.03738	1.0
149.02437	50.4
149.04518	4.6
164.80125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.38863	0.3
65.00329	2.1
72.24599	0.3
73.24360	0.3
77.03969	8.2
89.02439	0.6
93.03449	10.9
95.01377	6.4
95.05025	6.9
105.03452	2.2
105.95451	0.4
121.02948	37.8
123.04535	2.4
126.29500	0.4
133.51944	0.4
134.03752	5.9
137.22852	0.4
139.04030	5.0
149.02441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	3.4
65.13516	0.4
65.66969	0.4
75.00861	0.4
77.03970	11.5
79.44173	0.4
86.03562	0.4
86.93281	0.5
89.02423	1.6
91.05815	0.4
93.03452	13.6
95.01382	10.1
95.05022	14.5
105.03454	3.1
107.01408	0.8
115.06545	0.5
121.02951	58.8
123.04494	5.1
128.09259	0.5
134.03705	1.8
136.72534	0.5
139.04059	0.8
149.02443	100.0
158.55222	0.4
164.16296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	beta-D-Arabinopyranose
Peak:m/z	Relative Intensity
53.03025	0.4
59.01387	6.3
69.03456	0.9
71.01379	20.3
73.02943	24.0
75.00875	0.7
77.39749	0.4
87.00877	8.5
89.02439	100.0
101.02446	2.3
103.04012	17.4
103.04700	0.6
104.00217	0.4
118.11931	0.4
131.03500	6.4
149.04555	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-Arabinose
Peak:m/z	Relative Intensity
58.67583	0.3
59.01385	5.6
69.03448	1.8
71.01382	17.7
71.21577	0.4
73.02942	25.3
78.29008	0.3
87.00867	6.9
89.02441	100.0
89.52169	0.4
101.02428	1.7
103.04012	14.9
131.03477	4.5
149.04555	87.1
159.28384	0.4
169.61592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01388	0.9
70.63692	0.4
71.01364	1.1
73.02938	0.7
74.78156	0.4
77.03965	0.8
81.54824	0.5
86.41634	0.5
89.02450	3.1
92.23140	0.5
93.03457	2.3
94.99308	11.0
95.01363	0.8
95.04990	0.9
97.84761	0.5
104.97739	6.1
105.07104	0.8
105.49577	0.5
109.41645	0.5
121.02949	11.4
122.91756	0.5
134.03723	4.1
137.11644	0.5
145.05449	0.5
148.96724	7.9
149.02461	13.9
149.06081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06409	2.1
58.26302	2.3
72.83979	2.7
74.09062	2.4
75.00865	3.8
76.01189	3.7
80.29028	2.2
89.02459	4.3
90.02766	5.0
93.03445	58.0
94.51303	3.2
108.04550	3.9
121.02946	100.0
122.03758	89.4
135.04079	12.8
136.01662	5.3
149.02432	23.2
150.00139	3.4
150.03203	69.1
150.04817	16.3
150.05679	13.5
162.83139	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0561
Annotation	Paracetamol
Peak:m/z	Relative Intensity
61.10330	0.2
66.55621	0.2
78.04314	0.3
80.96522	0.6
82.02991	1.1
83.06104	0.2
94.02959	0.6
94.03813	0.3
100.50249	0.2
107.03755	3.9
108.04576	0.4
110.02464	1.8
121.02921	1.4
122.02480	2.9
122.03329	1.7
122.06107	6.3
123.03246	2.1
135.03267	15.1
135.04138	0.8
142.12665	0.3
150.01900	7.0
150.03102	3.7
150.05609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54527	0.5
79.73278	0.5
82.03010	0.9
107.03772	5.6
110.02512	1.2
111.20840	0.5
112.01439	0.6
122.02488	2.5
122.06124	7.4
135.03271	18.9
150.02013	7.1
150.05609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11799	0.5
55.75258	0.6
58.56646	0.5
59.01380	0.6
63.14270	0.5
67.01891	17.7
67.84172	0.5
68.99826	0.7
69.03387	0.6
69.57486	0.5
71.01386	1.0
73.12207	0.5
78.31443	0.5
79.01898	2.9
95.01377	23.7
105.47919	0.6
107.04954	0.7
108.02196	1.0
123.00876	100.0
123.04489	2.3
136.01654	44.6
150.06801	0.6
151.00380	24.4
151.04027	9.8
151.05113	1.4
151.06181	0.7
151.07642	2.4
151.91293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
56.16149	0.3
57.48534	0.3
61.65882	0.3
66.47223	0.3
67.01891	3.6
68.99807	0.5
69.03460	3.3
71.01384	0.6
79.01907	3.5
85.02949	5.0
95.01379	98.3
97.02930	0.8
101.02425	0.4
107.01383	100.0
107.04996	0.6
108.02159	1.9
108.04557	0.4
113.02429	0.6
123.00874	38.3
123.04472	3.2
136.01657	88.4
139.00378	0.4
141.01942	2.1
151.00368	51.1
151.03998	17.9
151.05061	1.2
151.05991	1.1
151.07623	0.5
169.01437	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
53.77612	0.3
55.01899	0.4
58.67245	0.3
67.01890	0.7
68.99792	0.7
71.01370	0.6
73.02962	0.4
76.42681	0.4
77.03967	0.7
79.05530	1.9
79.11586	0.3
80.02676	0.6
81.03453	6.2
93.03453	2.5
95.01393	0.5
95.05025	8.3
105.03465	8.5
107.05038	3.7
108.02181	8.3
109.02927	3.3
114.59805	0.4
121.02962	3.6
122.03743	13.2
123.04522	100.0
125.04469	0.4
133.02975	4.9
134.03757	1.5
136.01669	16.0
139.04037	0.5
149.02422	1.6
150.03244	1.6
151.04016	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
59.01378	0.9
60.03425	0.5
69.03466	0.7
70.12755	0.5
71.01385	1.3
79.05529	0.7
81.03461	6.1
85.32216	0.5
93.03442	1.4
95.01333	0.7
95.05009	7.0
101.02445	1.1
105.03457	8.1
107.05047	5.4
108.02174	8.9
108.04543	2.7
109.02949	3.9
121.02956	3.1
122.03733	12.3
123.04516	100.0
124.61020	0.6
133.02971	4.2
134.03679	0.8
136.01663	39.0
149.02449	1.3
150.03235	1.5
151.04005	56.1
151.05049	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
51.42710	0.3
52.72949	0.4
58.95343	0.3
62.89316	0.3
63.07986	0.3
63.67641	0.4
65.03973	0.6
66.80701	0.4
67.01879	0.8
67.70297	0.4
68.51266	0.3
68.93721	0.3
68.99815	0.4
69.03432	0.5
71.01376	0.8
77.03973	0.7
79.05544	2.6
80.02708	0.3
81.03460	8.6
89.35710	0.4
93.03462	2.0
95.01371	0.7
95.05013	8.1
100.38638	0.4
105.03455	8.9
106.04230	0.5
107.01387	0.4
107.05021	4.6
108.02165	9.1
109.02951	4.4
121.02954	4.6
122.03738	14.2
123.04516	100.0
133.02979	5.1
134.03693	0.8
136.01683	4.4
142.08963	0.4
149.02449	1.9
150.03241	2.4
151.04004	50.0
154.02699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
59.01371	0.9
65.03946	0.8
67.01896	0.6
68.99796	0.5
71.01377	1.9
73.02970	0.6
79.05530	2.8
79.95155	0.5
81.03456	7.5
85.18921	0.4
88.63000	0.5
89.02440	0.5
89.05123	0.4
93.03455	3.3
95.01382	1.1
95.05007	7.1
101.02441	1.0
105.03455	8.5
107.01388	0.9
107.05024	5.5
108.02168	11.9
108.04559	1.9
109.02940	3.9
109.04089	0.6
121.02940	5.0
122.03734	12.8
123.04515	100.0
133.02983	6.2
134.03734	1.0
136.01659	53.0
139.04015	0.8
141.49649	0.5
149.02402	1.8
150.03265	1.8
151.04007	67.1
151.05081	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
54.63129	0.5
56.45376	0.5
59.01376	3.5
59.52227	0.5
60.14014	0.5
60.84985	0.5
61.01789	0.5
68.99816	1.1
71.01387	4.3
73.02941	1.0
75.29240	0.5
78.12603	0.5
79.05502	2.0
81.03452	5.0
82.80830	0.5
84.33218	0.5
89.02448	2.5
89.12566	0.6
93.03464	3.5
95.01391	1.3
95.05024	4.7
101.02447	3.6
105.03452	5.9
107.05024	3.3
108.02157	7.1
108.04549	2.8
109.02920	4.2
109.04060	0.9
121.02941	3.4
121.82494	0.5
122.03732	17.5
123.04514	100.0
133.02954	3.3
134.03755	0.7
136.01659	48.0
137.02443	1.0
149.02428	1.3
150.03215	1.3
151.04005	85.9
151.05045	4.3
154.02655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
53.54952	0.4
55.61659	0.5
57.86803	0.4
65.03967	1.0
69.03458	0.7
70.95147	0.5
77.03976	0.9
79.05521	2.4
81.03468	7.7
93.03448	3.0
95.05026	9.5
98.15954	0.5
105.03460	8.2
106.04223	0.7
107.01408	1.0
107.05021	4.6
108.02177	8.8
108.04542	0.9
109.02954	4.6
109.05897	0.5
114.21534	0.5
121.02944	3.4
122.03729	12.3
122.44363	0.6
123.04519	100.0
133.02950	5.0
134.03773	0.7
136.01689	5.4
149.02422	0.9
150.03252	0.6
151.04002	45.3
168.27408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98693	0.4
57.22081	0.4
59.01382	0.6
65.03967	0.7
68.67242	0.5
71.01366	0.8
79.05534	0.9
79.65285	0.5
80.27738	0.4
81.03426	1.0
89.02441	0.5
93.03445	3.5
95.01370	0.6
95.05035	0.7
101.02409	0.5
106.04254	4.0
107.05028	100.0
108.02178	2.6
108.04562	2.8
108.46471	0.4
109.02960	0.9
109.04101	0.6
121.02908	2.4
122.03717	1.1
123.00842	0.6
123.04524	16.1
136.01665	36.2
151.04015	47.3
151.05106	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0399
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
57.63662	0.5
59.55845	0.4
67.01890	0.7
67.05468	0.5
68.99815	0.6
71.01391	0.7
77.03960	0.8
79.05533	3.5
81.03449	7.7
93.03451	2.8
95.01379	0.8
95.05014	9.9
105.03453	9.4
106.04262	0.8
107.01392	0.9
107.05035	4.8
108.02173	11.1
109.02939	4.3
121.02949	4.2
122.03735	14.5
123.04512	100.0
133.02939	6.3
134.03729	0.6
136.01662	7.8
149.02428	1.2
150.03227	1.1
151.04004	48.1
154.29251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
58.21948	0.4
63.10189	0.4
65.03956	0.4
67.01875	0.7
68.67096	0.4
68.99823	0.9
71.01386	0.6
77.03982	0.6
79.05533	2.4
81.03461	7.1
83.01366	0.5
89.02492	0.5
93.03452	2.4
95.01404	0.6
95.05007	7.3
105.03440	8.1
107.05022	3.5
108.02168	9.3
109.02934	3.1
121.02911	3.4
122.03729	14.7
123.04514	100.0
133.02956	5.4
134.03719	0.7
136.01657	20.2
139.66507	0.5
140.17773	0.4
146.27678	0.5
149.02402	0.7
150.03204	1.9
151.04002	51.2
151.05035	1.9
151.25000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94365	0.5
67.01863	0.6
71.01383	1.2
71.61190	0.5
79.05529	2.7
81.03468	4.7
89.02430	1.1
93.03442	2.2
95.01362	0.9
95.05011	6.8
101.02435	0.9
105.03459	8.0
107.05026	3.3
108.02171	9.8
108.04580	2.5
109.02956	3.0
109.04090	0.8
121.02950	3.8
122.03727	11.9
123.00912	2.7
123.04516	100.0
133.02988	4.0
134.03706	0.6
136.01660	41.1
149.02438	1.1
150.03343	0.8
151.04013	65.7
151.05069	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.89656	0.1
53.50388	0.1
57.30785	0.1
61.20090	0.1
62.60161	0.1
64.91936	0.1
70.55265	0.1
77.83598	0.1
92.02683	0.5
103.24084	0.1
108.02162	2.1
109.02914	0.1
123.04540	0.2
136.01657	100.0
151.03999	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87895	0.4
64.83816	0.4
66.85076	0.4
67.01872	0.7
68.99805	0.4
71.01384	0.7
73.65256	0.5
77.03968	0.7
77.82975	0.4
79.05553	1.9
80.15565	0.4
81.03455	7.0
81.84424	0.4
86.02154	0.4
93.03461	2.7
95.01402	0.8
95.05021	8.5
105.03451	8.0
107.05030	3.0
108.02171	9.6
108.04535	0.5
109.02961	3.4
121.02959	3.4
122.03734	12.4
123.04519	100.0
133.02936	4.2
134.03711	0.6
136.01645	9.3
149.02475	2.3
150.03204	1.1
151.04010	44.1
151.43454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0399
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
51.45263	0.4
51.82686	0.4
55.69707	0.5
57.28699	0.5
58.13034	0.4
65.03981	0.5
67.01891	0.7
76.66698	0.4
77.03967	1.0
79.05552	3.0
81.03446	7.2
85.91710	0.5
93.03459	2.0
95.01390	0.9
95.05013	5.9
105.03445	8.8
107.01424	0.5
107.05056	3.8
108.02168	9.3
109.02949	2.8
121.02993	3.7
122.03733	12.7
123.04510	100.0
133.02930	4.5
134.03673	0.6
136.01645	7.5
149.02463	1.0
150.03197	1.1
151.03998	50.7
151.20517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42942	0.4
59.01371	2.9
66.03492	0.6
68.98024	0.6
69.13297	0.5
71.01382	6.2
73.02953	2.3
86.01817	0.5
89.02435	4.1
93.03423	0.8
95.01342	0.7
95.05012	2.4
96.98808	0.7
101.02438	4.4
105.03337	0.5
107.05000	2.7
107.08662	24.1
108.02155	3.2
108.04539	5.2
109.04057	4.2
109.06589	0.6
122.03701	3.0
123.00911	0.8
123.04513	14.1
136.01660	100.0
137.91753	0.5
150.53270	0.5
150.96266	3.0
151.00391	0.8
151.03992	35.2
151.05127	8.7
151.06137	3.1
151.07610	15.6
151.11255	5.1
151.56108	0.6
153.42039	0.6
161.98285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0115
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
55.02316	0.7
60.18299	0.8
79.95757	1.5
80.02670	9.2
80.96500	0.9
108.02169	100.0
108.04558	1.9
111.10849	0.9
123.00818	1.1
124.57868	0.8
137.02036	1.7
152.00308	4.0
152.01161	71.8
152.03543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21055	0.5
76.69862	0.7
78.03462	0.7
80.02676	10.1
96.09098	0.6
108.02171	100.0
108.04549	35.6
108.05305	1.1
123.00856	2.6
124.01685	5.8
124.04841	6.3
134.06102	8.9
152.01152	80.4
152.03542	5.8
152.07179	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36801	1.0
57.03771	1.3
60.94328	1.2
66.03476	6.2
67.66239	1.5
79.95741	9.5
80.02686	8.9
88.04037	5.7
93.60298	1.4
95.59581	1.4
106.98058	2.9
108.02174	100.0
108.04549	51.1
109.02943	9.3
110.02487	1.4
124.04030	2.4
124.04830	11.2
137.02002	13.4
152.00175	17.4
152.01157	74.0
152.03362	27.0
152.04437	9.7
152.07166	5.2
153.89679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0116
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
66.03487	1.7
66.89672	0.6
69.68131	0.8
80.02686	4.9
84.80322	0.8
86.31404	0.7
95.98141	0.7
108.02170	100.0
108.04550	8.6
108.05179	0.9
109.01680	1.0
124.01651	1.0
124.04012	1.1
124.04836	1.0
125.66318	0.7
134.06190	0.8
136.01643	1.3
137.02013	10.0
152.01152	59.7
152.03357	9.0
152.04535	1.9
152.05374	0.8
152.07147	1.7
158.19331	0.8
173.36165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0114
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
51.12870	0.2
57.10758	0.2
57.41777	0.2
61.53444	0.2
76.57867	0.2
92.10271	0.2
102.93227	0.2
108.02164	100.0
109.08047	0.2
134.41191	0.2
136.01672	1.3
137.01991	9.7
152.01143	39.2
152.04375	1.1
167.01831	0.2
171.32593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.68608	0.2
52.68032	0.2
60.10140	0.2
60.57043	0.2
66.03466	0.8
78.03484	1.4
86.15011	0.2
94.53756	0.2
106.02911	0.3
107.03773	3.9
108.02173	0.3
108.04557	2.1
122.03730	17.1
135.03253	0.4
137.01973	1.4
151.23093	0.3
152.03528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
54.38712	0.2
56.07580	0.2
59.45185	0.2
66.03481	1.3
92.23077	0.2
100.73118	0.2
108.02197	0.4
108.04572	1.4
110.48598	0.2
114.84484	0.2
121.02942	0.2
122.03734	21.4
122.89049	0.2
124.04884	0.5
136.01573	0.2
137.02010	3.2
152.03528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Hydroxyanthranilate
Peak:m/z	Relative Intensity
50.90999	0.2
60.08273	0.2
66.03490	1.5
80.05057	22.2
81.03444	1.1
92.69760	0.3
94.02978	5.0
96.04517	0.3
102.34306	0.3
108.04549	100.0
110.02466	0.5
120.03368	0.3
122.02477	2.8
123.00906	0.2
124.01651	1.4
136.01653	1.0
137.02014	5.2
150.74974	0.3
152.01135	2.6
152.03455	4.9
152.04596	0.5
169.38416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05914	0.2
57.08633	0.2
66.03491	1.3
80.05063	18.9
81.03465	0.9
92.22546	0.2
94.02982	4.3
94.03542	0.3
96.04574	0.2
108.04556	100.0
110.02470	0.2
122.02488	1.5
134.06064	0.2
136.01613	0.2
137.02318	1.2
152.01180	0.2
152.03546	5.1
152.04778	1.6
154.81837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9957
Annotation	Hydroxyacetone phosphate
Peak:m/z	Relative Intensity
54.26025	0.3
66.50527	0.3
77.23232	0.3
78.95901	46.6
82.48062	0.4
92.23096	0.6
96.96960	5.3
109.02940	6.5
117.27900	0.4
123.04496	0.8
150.98032	2.3
152.62035	0.4
152.99583	100.0
164.13448	0.4
166.19225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24713	0.1
61.41367	0.2
69.12646	0.1
71.56203	0.2
81.03464	0.8
81.75584	0.2
85.39530	0.2
90.82805	0.2
91.01884	0.4
93.03461	0.2
95.04992	0.2
108.02164	3.2
109.02943	100.0
110.00080	1.0
110.02567	0.2
111.02661	0.2
123.04513	23.7
125.02487	0.3
135.04517	0.2
137.99573	1.0
138.02187	0.2
138.03194	0.2
153.01933	23.3
153.05565	6.6
153.06714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95365	0.1
53.38606	0.2
54.03122	0.2
56.12353	0.1
68.44983	0.2
81.03456	1.3
91.01888	0.3
94.63937	0.1
105.96445	0.2
108.02177	3.4
108.15907	0.2
108.53105	0.1
109.02946	100.0
123.04515	1.0
135.08217	0.2
144.82616	0.2
153.01936	23.5
153.09232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
51.62499	0.1
52.60421	0.1
53.17312	0.1
55.33691	0.2
80.33250	0.2
81.03474	0.7
91.01894	0.3
108.02168	2.8
109.02945	100.0
122.03767	0.3
123.04516	28.4
137.99585	0.4
143.64346	0.2
153.01935	24.5
153.05547	6.6
156.51613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03967	8.8
66.69791	0.2
67.01882	3.2
72.23654	0.2
73.44935	0.3
78.95930	0.3
91.01875	1.9
92.22421	0.5
109.02945	100.0
110.00085	0.5
115.27336	0.3
123.00864	1.8
123.04521	1.3
131.49768	0.3
135.00885	30.9
138.03221	0.5
150.61325	0.2
153.01935	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
52.89085	0.2
54.30916	0.2
59.32859	0.2
69.98464	0.2
71.29998	0.2
78.59019	0.2
81.03471	1.0
91.01907	0.3
94.58034	0.2
95.04998	0.3
99.07995	0.2
105.37434	0.2
108.02173	3.0
109.02947	100.0
110.00056	0.3
122.03717	0.9
122.04536	0.2
123.04517	60.4
153.01938	22.5
153.05569	13.2
153.06825	0.4
159.73888	0.2
169.09201	0.2
171.62900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07956	0.4
65.03965	6.1
65.85622	0.4
67.01884	3.5
80.96571	0.5
91.01894	1.1
109.02946	100.0
110.00141	0.8
123.04502	3.3
125.02422	0.7
135.00880	23.2
137.99593	1.0
153.01935	81.6
174.83231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60728	0.2
74.54452	0.3
81.03453	0.3
85.07362	0.3
90.83689	0.3
91.20190	0.2
92.23232	0.5
95.05038	1.0
97.92477	0.2
108.02168	1.8
109.02946	48.8
111.06149	0.3
122.03732	0.5
123.04516	100.0
125.02426	0.4
136.45743	0.3
153.01953	10.9
153.03084	0.5
153.05573	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0557
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
53.11146	0.2
56.53445	0.1
81.03474	0.2
83.63019	0.2
84.29046	0.2
93.03494	0.3
95.01346	0.2
95.05006	1.0
108.02150	1.5
109.02940	49.7
110.00069	0.2
122.03706	1.2
123.04511	100.0
137.99677	0.3
153.01938	11.2
153.02866	0.4
153.05565	20.8
167.74117	0.2
172.77480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0557
Annotation	Hexahydrophthalic anhydride
Peak:m/z	Relative Intensity
55.01884	0.7
59.23374	0.4
67.01882	0.8
67.05544	1.0
78.95926	0.6
80.02675	35.2
81.02981	0.6
81.03453	14.6
91.01865	1.1
91.05534	1.2
93.03460	2.4
96.95990	1.0
107.05017	10.8
108.02163	2.6
109.02943	100.0
109.06580	47.1
110.00105	1.1
123.04523	2.3
125.02464	1.1
137.99593	0.9
138.02126	1.0
152.99811	1.5
153.01923	31.8
153.05531	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89689	1.0
54.03022	1.1
69.03453	1.2
69.13383	1.7
71.01358	1.5
73.00692	1.2
91.99265	1.2
92.23150	1.3
97.02945	14.7
98.08835	1.5
105.07053	4.6
107.05115	1.5
108.05785	4.6
109.02951	44.1
109.06593	15.7
110.00050	1.9
111.08171	1.8
113.06087	7.0
115.27071	1.6
122.03731	76.1
123.04548	5.5
123.08148	5.8
125.06067	11.2
135.08116	2.3
136.05281	11.4
137.06091	43.5
137.99498	2.1
138.06868	100.0
139.07643	21.8
149.06032	2.0
151.07646	65.5
152.04875	2.8
152.08423	41.4
153.01941	9.8
153.09232	21.0
167.07169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
50.44810	0.8
51.23915	0.8
64.29739	0.9
71.05039	1.2
73.40976	0.8
73.73546	1.0
92.22454	1.0
97.06590	21.0
99.08138	7.9
109.02922	8.1
125.09747	1.4
137.09712	1.7
153.01939	1.8
153.12848	100.0
173.11760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0146
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
54.54112	0.2
57.36366	0.2
65.99847	0.8
66.03493	0.2
74.59033	0.2
92.22554	0.3
95.06923	0.2
107.01369	0.2
108.28986	0.2
110.03275	0.5
117.60774	0.2
123.00865	3.4
124.01656	16.8
136.03914	0.2
142.21744	0.2
154.01466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
58.86156	0.5
64.91965	0.5
67.01885	9.7
67.87230	0.5
81.03449	2.3
83.01383	70.2
83.05029	0.6
90.17616	0.6
93.03463	3.7
96.42150	0.5
111.00875	100.0
111.04503	10.4
111.08103	0.7
127.04008	10.0
137.02446	0.6
140.01117	1.0
154.99867	5.3
155.03525	6.5
155.07106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01876	0.3
65.00327	100.0
67.01921	0.2
68.99817	0.9
75.32766	0.1
83.01377	2.4
88.82422	0.2
92.22917	0.3
105.90763	0.2
108.99301	1.0
109.75249	0.2
111.00879	1.6
111.08156	0.3
119.14279	0.2
124.37966	0.2
136.98805	5.6
142.10432	0.2
154.99840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
56.47449	1.1
59.01382	1.6
81.03456	14.1
81.48096	1.3
83.05017	8.0
86.45782	1.1
93.03442	5.3
109.02958	6.9
111.04514	100.0
117.41076	1.2
127.04009	97.9
128.94044	1.5
137.02431	8.2
155.03511	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
53.62420	0.8
55.60053	0.8
59.01377	1.6
74.32388	1.0
81.03463	15.6
83.05038	7.4
85.04649	1.0
93.03458	12.8
96.02760	1.1
109.02943	5.5
111.04517	100.0
127.04015	95.9
137.02492	9.9
141.20677	1.0
155.03510	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
53.55129	0.6
59.01376	1.6
63.00972	0.6
65.03978	0.9
69.03442	0.8
77.55296	0.8
81.03458	16.3
81.81905	0.7
83.01400	1.6
83.05024	11.4
93.03455	21.0
96.00891	1.1
97.27152	0.8
109.02951	8.2
111.04516	100.0
111.08157	1.5
127.04011	94.6
134.68567	0.7
137.02448	12.5
137.13492	0.9
140.01152	1.0
155.03514	63.2
155.07173	1.1
157.35341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0349
Annotation	3-Methyl-cis,cis-hexadienedioate
Peak:m/z	Relative Intensity
50.50388	0.2
55.01876	0.8
59.01369	0.6
65.03959	1.8
75.02393	0.6
75.38051	0.3
81.03449	8.3
83.01362	0.5
83.05020	17.0
93.03448	100.0
100.75221	0.3
108.17696	0.3
109.02921	3.1
111.04507	39.0
111.80568	0.3
127.04002	22.2
137.02440	12.8
141.95070	0.5
155.02190	0.7
155.03491	18.1
155.04529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0349
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.74133	0.4
50.91794	0.4
56.38958	0.5
59.01378	2.6
63.39417	0.4
66.03451	0.6
67.03020	0.5
67.03815	0.6
76.83272	0.5
81.03451	16.2
83.01382	2.1
83.05022	7.8
93.03452	6.9
95.05014	0.6
104.99168	0.5
109.02930	5.6
111.00861	2.7
111.04506	100.0
111.08170	5.4
112.49906	0.6
127.04001	100.0
137.02429	9.0
137.06084	5.9
145.21548	0.5
153.11769	0.5
155.03496	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.54272	0.7
51.20378	0.7
59.01385	1.1
73.33898	1.0
76.46134	0.8
81.03441	14.4
83.05014	5.0
93.03444	5.1
93.33982	0.9
99.73693	0.9
109.02937	6.1
111.04510	100.0
115.57616	1.1
127.04005	84.5
137.02461	7.2
142.52571	0.9
150.72394	0.9
155.03496	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.85730	0.6
55.20581	0.6
55.91768	0.6
59.01374	3.3
62.14554	0.6
81.03452	16.0
83.01386	0.9
83.05031	8.2
93.03450	8.3
101.55824	0.8
109.02312	0.8
109.02918	6.9
111.00897	5.0
111.04510	100.0
127.04005	98.6
127.05009	1.2
137.02449	8.9
137.06071	8.0
150.65469	0.8
155.03502	57.8
157.03406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
52.87162	0.4
59.01386	2.0
81.03458	16.6
83.05013	6.4
90.95712	0.4
93.03458	7.4
109.02956	5.7
111.04511	100.0
127.04008	89.9
127.04988	1.2
137.02440	9.4
155.03503	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
59.01384	1.6
60.46533	0.6
73.79899	0.7
74.08727	0.6
81.03452	18.8
83.01375	0.7
83.05022	10.1
92.52869	0.7
93.03452	20.7
109.02935	5.7
111.00926	0.8
111.04514	100.0
127.04006	98.2
127.05000	0.8
137.02444	13.3
140.01160	1.1
155.03502	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08585	0.6
59.01382	1.6
66.31116	0.6
67.01885	0.9
81.03454	14.5
82.41879	0.7
83.05035	6.9
92.22504	1.1
93.03444	12.5
97.77694	0.7
109.02931	6.4
111.04511	100.0
120.05650	0.6
127.04012	98.2
137.02460	11.1
151.17256	0.7
155.03505	61.6
157.77029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	3-Methyl-cis,cis-hexadienedioate
Peak:m/z	Relative Intensity
59.01376	0.5
65.03966	2.8
67.03822	0.3
69.03456	0.5
71.01366	0.9
72.99271	0.5
75.02400	2.1
79.03843	0.4
81.03461	4.0
83.01375	0.6
83.05022	13.6
92.22568	0.5
93.03449	100.0
96.00928	0.5
108.05222	0.3
109.03002	1.3
111.00881	0.6
111.04514	33.2
127.04019	0.8
128.02487	0.8
137.02443	25.6
138.34981	0.4
140.01248	0.5
155.03540	15.8
155.04680	0.6
155.10844	0.5
160.34947	0.4
162.78957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
59.01384	2.0
62.31241	0.9
77.97960	0.9
81.03454	16.7
83.05009	7.3
89.76162	1.1
93.03457	16.2
109.02980	7.4
111.04508	96.1
127.04005	100.0
137.02466	9.5
155.03496	66.8
155.07164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
50.91540	0.9
52.05355	0.9
59.01377	2.5
62.19436	0.9
63.10704	0.9
80.15430	0.9
81.03453	16.1
83.05025	6.8
93.03458	7.1
109.02951	5.5
111.04512	90.8
127.04005	100.0
137.02441	7.6
153.80103	1.1
155.03506	63.2
167.21855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Deoxypatulinic acid
Peak:m/z	Relative Intensity
55.01885	0.6
56.52345	0.5
57.03454	0.5
58.02984	2.3
59.01387	1.3
67.01894	14.6
71.01413	0.5
72.62169	0.4
81.03452	10.9
82.96117	2.8
83.01386	58.0
83.03350	0.6
83.05029	9.5
84.04575	0.6
85.02951	0.9
93.03448	10.7
95.14264	0.5
96.00932	4.5
109.02944	4.4
111.00879	100.0
111.04512	75.7
111.08144	6.9
113.02482	0.6
113.03548	3.0
113.84028	0.6
125.53850	0.6
127.04012	65.5
137.02438	8.1
137.06157	0.6
138.40720	0.5
140.01166	0.6
150.40120	0.6
154.98283	1.2
154.99850	6.6
155.03508	44.5
155.04643	5.2
155.07144	2.5
155.10693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
50.99055	0.2
55.01881	13.5
57.03445	0.5
59.01380	0.2
64.86375	0.2
65.00325	9.9
68.96753	0.2
69.03438	2.1
80.02685	0.3
81.03452	1.9
83.01378	0.3
83.05018	2.4
92.76097	0.2
93.03453	3.3
93.07078	0.4
109.06589	7.2
111.00875	0.8
111.04610	1.7
111.08150	100.0
127.04004	0.2
129.42706	0.2
136.98834	0.2
137.02449	0.4
140.01183	0.5
154.99928	0.2
155.03540	0.9
155.04639	0.4
155.07132	7.9
155.08336	0.4
155.10834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
58.35669	0.7
59.01357	0.7
73.42235	0.7
83.05032	1.8
93.03453	17.2
110.09138	0.8
111.04485	7.1
127.03989	1.9
137.02446	1.8
139.74043	1.0
155.03522	5.0
155.10782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
81.03456	2.1
92.04352	1.5
93.03455	3.0
111.04531	13.7
127.04028	9.0
137.02470	1.8
155.03528	5.9
155.10791	100.0
160.45506	1.4
172.50021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0142
Annotation	4-Methylene-2-oxoglutarate
Peak:m/z	Relative Intensity
58.00592	0.3
59.01378	2.9
69.03455	100.0
71.01379	13.9
73.23811	0.2
75.21530	0.3
82.24736	0.2
83.05024	1.8
84.89192	0.2
85.02942	4.5
85.06570	0.3
95.05025	1.7
99.00871	1.0
109.65279	0.3
111.08140	0.5
113.02442	18.0
113.06078	4.8
113.09724	1.4
115.00353	1.7
121.02923	0.3
127.00359	1.3
139.07687	0.4
146.54971	0.3
157.01422	18.5
157.05057	4.9
157.07558	0.4
157.08728	8.0
157.12323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.60650	0.4
55.01880	2.3
55.36771	0.4
56.41130	0.4
57.03448	3.6
59.01382	21.1
65.32453	0.5
67.01898	0.5
68.99810	2.3
69.03445	2.9
71.01414	0.6
74.91345	0.4
77.03956	2.6
80.35441	0.4
80.96519	0.7
83.05023	97.4
85.02943	14.3
85.06595	0.9
85.67461	0.4
87.04519	1.9
92.75077	0.4
93.03445	0.5
95.05023	27.7
97.02931	0.8
98.03729	2.5
99.00876	0.7
109.02930	0.7
111.04514	3.2
111.08157	1.7
113.02417	0.6
113.06078	25.4
113.09704	0.8
115.04003	2.2
127.00401	1.1
127.03994	6.8
139.04002	5.8
147.75577	0.4
155.03531	1.7
157.05057	100.0
157.08659	9.4
157.12329	2.2
167.76563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
55.01885	0.8
57.03452	100.0
58.00605	0.4
59.01387	0.8
69.03459	2.2
71.05016	0.5
83.05066	0.4
85.06582	9.8
85.89946	0.4
95.05009	0.5
97.06566	4.7
97.93166	0.5
99.08156	5.8
106.82459	0.3
109.06606	0.4
111.08149	8.5
112.92276	0.3
113.09718	77.5
114.93378	0.4
127.07659	0.4
129.09222	3.9
134.75972	0.3
137.64883	0.3
157.08694	63.6
157.12294	1.9
165.92358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1233
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
53.60110	0.2
53.87355	0.2
59.01378	1.3
79.48795	0.2
79.88506	0.3
83.05020	0.3
92.29489	0.3
99.00897	0.3
111.08161	0.4
112.95404	0.3
113.06078	0.2
113.09697	0.6
114.93407	1.0
127.00404	0.3
127.22726	0.2
127.77389	0.3
128.39590	0.2
129.05493	0.2
129.95511	0.2
130.04109	0.3
134.00906	0.2
134.35136	0.2
139.11220	0.3
156.89429	0.4
156.94279	0.3
157.02325	0.3
157.05135	1.0
157.08788	5.0
157.12334	100.0
179.54198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0457
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
66.03484	75.7
69.82094	0.7
70.88755	0.7
78.03497	4.1
80.43317	0.7
82.03004	1.2
83.01376	1.1
84.04533	3.3
86.06110	85.9
87.00867	67.1
98.26774	0.8
99.00872	42.2
110.02470	32.5
112.04036	100.0
114.05592	22.0
117.01929	92.4
122.02463	29.7
140.03542	61.2
158.04582	49.9
158.05882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0458
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
50.64308	0.2
57.03451	0.7
61.66467	0.3
69.90417	0.3
70.44927	0.3
83.01385	0.6
84.04545	5.0
86.06115	89.1
112.04041	100.0
114.05607	25.4
128.05161	0.3
130.05107	0.4
140.03630	0.4
158.04590	26.3
158.05891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25770	0.2
54.52635	0.3
58.02985	1.6
58.04934	0.3
62.83408	0.2
70.03807	0.4
72.05168	0.3
82.91542	0.3
83.47233	0.3
86.06115	2.8
95.05016	1.2
97.06586	10.8
101.42738	0.3
111.57285	0.3
112.04036	1.9
114.05608	1.4
114.06385	0.4
114.09245	12.0
116.07166	100.0
143.43304	0.3
158.04581	0.6
158.08218	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
50.18544	0.3
58.02979	0.8
63.39189	0.4
65.46620	0.4
70.02934	0.4
86.02505	0.4
90.59666	0.3
96.04532	0.4
114.01968	3.1
114.09240	8.1
116.07170	100.0
130.01442	0.4
158.03659	0.8
158.06213	0.7
158.08223	23.6
166.13560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0821
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
51.77658	0.4
58.02991	1.6
64.42959	0.4
69.03474	0.7
70.03806	1.8
81.47649	0.5
95.05039	3.1
97.06581	37.1
112.54713	0.5
112.88283	0.5
114.06408	0.6
114.09238	24.9
114.10042	1.0
116.07165	100.0
116.62212	0.4
116.94160	0.4
128.05057	0.5
140.07167	2.3
141.05586	0.8
148.12526	0.5
155.05087	0.4
158.08212	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	2-Methylbutyrylglycine
Peak:m/z	Relative Intensity
52.13419	0.6
56.14261	0.8
66.03493	0.8
76.35230	0.7
77.83266	0.9
79.44720	0.7
89.39159	1.0
98.06086	1.2
111.98871	0.8
114.08479	1.1
114.09241	25.9
117.01945	1.1
130.08746	8.2
150.15468	0.8
158.08220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.77507	0.6
59.93642	0.5
70.94379	0.6
74.26759	0.6
84.20175	0.5
98.06120	1.0
114.08475	1.0
114.09244	27.0
114.10033	1.1
116.07157	7.3
130.06583	0.8
130.08737	8.3
135.96938	0.6
150.97523	0.5
156.06644	0.8
158.06088	3.3
158.08221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
57.70352	0.7
58.46347	0.9
58.51596	0.7
63.33299	0.8
82.44083	0.8
93.82849	1.0
112.03986	1.4
114.06377	1.8
114.09235	26.4
116.07198	7.5
130.08766	6.5
158.00806	1.5
158.03609	14.9
158.06009	3.4
158.08116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
50.95661	0.1
53.32795	0.1
53.56841	0.2
55.65885	0.2
58.02988	0.8
62.29636	0.2
74.02475	0.4
95.62061	0.2
101.33222	0.2
101.40374	0.2
112.04022	0.2
112.68658	0.2
114.09241	8.1
116.07169	100.0
130.06601	0.4
158.04707	0.3
158.06091	1.3
158.08211	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37416	0.3
58.02982	0.9
58.37257	0.3
71.78104	0.3
74.02473	1.7
77.31148	0.3
77.40902	0.3
81.69740	0.4
114.01939	0.8
114.09250	8.2
116.07166	100.0
119.99039	0.3
120.23258	0.4
130.19131	0.4
135.29977	0.3
142.81119	0.3
148.98282	0.4
155.22464	0.3
158.04555	0.5
158.06235	0.6
158.08218	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0662
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
53.67310	0.2
53.79183	0.2
56.01693	0.2
56.12207	0.3
59.01392	0.6
60.17916	0.2
69.03459	0.5
71.01361	0.5
72.94444	0.2
73.02943	1.7
83.01375	0.4
85.02930	0.4
87.00887	0.4
92.23164	0.5
95.05019	11.7
97.06582	100.0
99.00888	0.3
99.92560	2.2
101.02441	0.5
113.02435	0.3
113.09711	0.6
114.94916	3.4
115.05097	0.4
115.07642	33.7
116.05044	0.3
116.92860	8.8
118.75883	0.3
129.01881	0.4
131.05017	1.6
141.05606	3.3
158.03732	0.4
158.63397	0.3
158.93913	2.0
159.03056	1.8
159.04492	18.7
159.06613	37.5
159.10193	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
56.66253	0.3
65.52591	0.2
73.77023	0.2
107.61670	0.3
111.08154	0.3
113.09720	15.9
115.07641	6.1
116.92847	0.6
132.20648	0.3
141.05556	0.3
141.09235	1.8
144.08713	0.3
157.08656	1.2
159.06638	1.9
159.10266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1025
Annotation	3-Hydroxyoctanoate
Peak:m/z	Relative Intensity
51.06925	0.2
52.94339	0.3
59.01383	100.0
72.52146	0.2
73.02924	0.3
74.40147	0.2
87.00900	0.3
99.00888	0.3
99.92596	0.5
113.09706	2.5
114.94930	0.4
116.92843	2.4
159.02994	0.6
159.10266	15.0
159.11592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
59.01388	1.5
71.01374	0.4
73.02942	1.2
85.66237	0.3
92.07152	0.4
95.15324	0.3
97.06593	1.2
99.00890	0.4
99.73911	0.4
99.92568	3.7
111.00836	0.5
111.08167	0.7
113.09720	100.0
114.94904	3.2
116.92849	13.0
121.96889	0.3
129.01942	0.6
141.09227	3.6
157.08704	1.6
158.93875	3.0
159.03026	2.2
159.10265	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95584	0.3
53.72047	0.3
55.01886	0.3
57.03458	0.7
59.01384	8.1
71.01381	6.0
71.05022	0.4
72.99316	1.5
73.02940	4.5
75.00882	1.3
81.03463	2.5
83.01392	2.1
85.02953	10.7
87.00888	0.6
89.02451	2.3
92.93060	0.3
95.01406	0.4
97.02968	0.4
99.00871	0.6
99.04530	1.4
101.02444	1.4
105.03480	1.6
113.02444	1.3
115.01949	0.4
125.02477	0.5
131.03494	5.6
132.02180	4.3
133.02957	100.0
143.03508	0.5
161.02443	91.8
161.04578	5.4
161.06067	2.0
161.08180	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01870	0.8
57.03447	4.0
57.63029	0.3
59.01382	23.1
62.76323	0.4
66.75684	0.4
69.03438	1.6
71.01379	17.4
71.05013	3.0
72.99303	2.3
73.02941	11.2
75.00872	2.1
75.02365	0.4
81.03458	4.4
83.01383	6.2
85.02940	28.6
87.00867	4.4
89.02440	6.0
95.01411	0.6
97.02956	2.9
99.00877	1.8
99.04499	7.5
101.02435	8.8
103.03999	0.5
105.03477	0.6
111.99227	0.4
113.02430	6.9
115.04003	0.9
117.03416	0.5
117.05546	2.1
125.02460	2.7
131.03485	15.3
132.02158	4.8
133.02951	100.0
143.03517	2.0
156.17712	0.4
161.02441	97.6
161.04472	18.7
161.06062	2.1
161.08136	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
54.53999	0.1
57.03428	0.3
59.01382	2.7
71.01385	1.5
72.99294	0.2
73.02940	1.3
75.00857	0.2
78.07961	0.2
80.67171	0.2
81.03464	0.4
83.01378	0.8
83.65070	0.2
85.02943	2.8
87.00864	0.4
89.02433	0.4
95.04996	0.2
97.02940	0.3
99.00890	0.2
99.04506	0.3
101.02461	0.4
113.02444	0.8
117.03446	1.9
123.04507	0.7
131.03523	1.4
133.02963	7.1
147.01939	0.2
160.41519	0.2
161.02444	100.0
161.06070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99479	0.3
57.03448	2.2
59.01386	18.5
68.66600	0.4
69.03458	0.9
71.01380	9.5
71.05016	1.8
72.85828	0.4
72.99319	3.1
73.02949	8.7
75.00858	4.2
77.03976	0.6
81.03445	3.2
83.01395	4.8
84.02174	0.4
85.02948	23.8
87.00889	1.0
87.04504	0.6
89.02440	5.4
97.02949	2.3
99.00845	0.8
99.04523	3.4
101.02431	3.2
105.03500	0.8
113.02468	4.4
115.04028	0.9
117.05534	2.6
125.02406	1.8
129.01958	0.5
131.03494	14.3
132.02168	4.9
133.02959	100.0
133.06555	1.8
143.03484	0.9
146.04796	0.5
151.61673	0.5
161.02449	98.4
161.04497	21.3
161.06058	2.8
161.08206	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	(1R,2R)-1,2-dihydronaphthalene-1,2-diol
Peak:m/z	Relative Intensity
57.03455	2.0
59.01384	12.9
69.03461	0.6
71.01008	0.5
71.01378	8.7
71.05011	1.1
72.99312	0.6
73.02944	7.8
74.71279	0.2
75.00869	1.2
75.19270	0.2
81.03446	3.7
83.01393	2.8
85.02949	13.9
85.15109	0.2
87.00871	3.0
89.02447	2.4
97.02941	1.3
99.00901	1.1
99.04506	1.8
101.02464	2.2
113.02447	4.7
117.03441	2.3
118.04237	1.7
119.05027	15.8
121.02928	1.2
123.04490	0.4
125.02441	1.4
131.03500	8.0
133.02933	0.4
143.03503	1.9
143.04967	0.3
145.02942	0.7
146.03757	2.2
161.04634	7.1
161.06076	100.0
167.40315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01890	0.9
57.03445	5.5
59.01102	1.4
59.01383	27.1
69.03460	0.8
71.01379	31.6
71.05016	28.7
71.14983	0.7
72.16019	0.8
72.99294	1.1
73.02941	15.6
75.00873	1.1
81.03455	4.8
83.01384	7.1
85.02942	39.8
87.00872	5.0
87.04497	11.5
87.99076	0.8
89.02435	7.5
90.41157	0.8
95.01367	1.5
97.02951	2.9
99.00882	3.4
99.04515	88.9
101.02438	10.4
107.53834	0.9
113.02425	7.6
115.03999	32.3
115.07621	8.8
117.05573	63.1
125.02421	1.5
129.01961	0.9
131.03490	19.4
133.02937	10.1
143.03497	1.7
153.36539	0.9
161.02483	10.1
161.04579	18.4
161.08195	100.0
176.91832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
56.49728	0.8
56.70905	0.6
57.03443	1.5
58.00577	0.8
59.01384	12.3
62.93309	0.7
67.04703	0.6
71.01389	6.8
72.99306	75.2
73.01170	1.1
73.02937	7.5
75.00869	62.3
79.95741	2.0
81.03460	4.1
83.01380	1.9
85.02959	12.6
85.06554	0.9
87.00861	3.4
89.02444	3.7
94.27037	0.7
95.01355	0.9
99.04514	3.3
101.02448	1.9
113.02457	1.0
115.07631	10.0
117.01912	1.7
117.03461	0.9
117.05569	3.2
131.03551	8.2
133.02934	1.3
143.03511	0.9
146.03754	1.6
161.00908	8.8
161.02405	4.7
161.04613	9.2
161.08200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0323
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
51.33844	0.7
52.39865	0.8
59.01369	1.0
61.82912	0.9
70.17139	0.9
81.38632	1.0
91.82961	0.9
92.22584	1.6
99.56300	1.0
106.04232	1.8
120.02156	3.7
133.02992	2.2
134.03746	27.0
147.49217	0.9
159.35344	1.1
161.02473	6.5
162.02078	4.0
162.03230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.056
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
50.69630	0.4
53.16035	0.4
55.23893	0.4
59.01379	0.6
64.75404	0.5
78.41370	0.5
79.33038	0.4
92.84310	0.4
107.19273	0.4
107.72810	0.5
133.95319	0.5
152.77115	0.5
162.02010	1.7
162.05611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0248
Annotation	2-Dehydro-D-xylonate
Peak:m/z	Relative Intensity
57.03449	0.8
58.00600	8.1
59.01382	2.4
59.21995	0.4
59.97386	0.4
67.50324	0.4
68.99810	12.3
72.99303	26.5
73.02939	17.6
87.00869	100.0
89.02419	4.6
99.00871	3.6
101.02438	55.6
113.94238	0.6
117.01939	3.9
119.02838	0.5
119.03502	21.8
119.05004	21.8
130.99870	0.8
135.04559	1.2
145.01421	25.2
163.00539	4.0
163.02499	59.1
163.03940	5.4
163.06050	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03448	3.9
69.71826	0.3
71.01377	1.5
72.99290	3.0
73.02939	2.0
83.01393	1.4
87.00868	2.7
99.00877	31.7
101.02442	10.7
107.05038	1.5
117.01930	19.3
119.03526	0.7
119.05025	5.6
121.02959	1.2
134.03761	0.5
135.02008	0.3
135.04532	6.0
145.01433	100.0
163.00488	3.8
163.02495	24.8
163.04015	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03448	3.9
69.71826	0.3
71.01377	1.5
72.99290	3.0
73.02939	2.0
83.01393	1.4
87.00868	2.7
99.00877	31.7
101.02442	10.7
107.05038	1.5
117.01930	19.3
119.03526	0.7
119.05025	5.6
121.02959	1.2
134.03761	0.5
135.02008	0.3
135.04532	6.0
145.01433	100.0
163.00488	3.8
163.02495	24.8
163.04015	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37994	0.2
57.25053	0.2
58.50698	0.2
59.01398	0.2
67.54685	0.2
78.68707	0.2
79.36263	0.2
87.18072	0.2
93.03470	0.4
101.02460	0.4
119.05020	100.0
135.00914	0.3
162.89352	1.1
163.00360	2.6
163.02599	0.4
163.03998	10.4
163.05162	0.9
178.38184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38632	0.1
61.43088	0.1
79.73711	0.1
87.00905	0.1
89.87013	0.1
91.05525	0.1
93.03452	0.7
101.02441	0.2
101.36981	0.1
110.09917	0.1
119.05017	100.0
135.04524	0.2
162.89313	0.1
163.00325	0.5
163.03999	8.3
169.16156	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75187	0.2
55.42490	0.2
60.50587	0.2
64.79494	0.2
76.93443	0.2
92.49741	0.2
93.03418	0.3
111.70412	0.2
119.05016	100.0
127.34303	0.2
136.63185	0.2
156.95753	0.2
163.02640	0.4
163.04007	11.7
167.23291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.20427	0.2
54.81944	0.2
55.72152	0.2
67.58317	0.2
70.85490	0.2
71.10351	0.2
72.99303	0.2
79.35093	0.3
81.35029	0.2
87.00861	0.2
93.61044	0.2
119.05018	100.0
163.02647	0.6
163.04008	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
87.00865	1.6
93.03442	0.6
101.02455	0.6
103.67554	0.3
105.01965	0.3
111.97166	0.4
119.05017	100.0
123.99718	0.3
124.37312	0.3
129.01633	0.4
135.04503	0.5
162.89368	0.5
163.02516	1.4
163.03990	11.6
163.05310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
52.71805	0.1
59.87622	0.1
60.25241	0.1
71.74848	0.1
81.28887	0.1
86.00387	0.1
91.05537	0.2
93.03455	0.6
101.02481	0.2
106.27387	0.1
107.05033	0.2
109.79649	0.1
117.03540	0.2
119.05022	100.0
135.04550	0.2
163.00423	1.0
163.04008	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55904	0.2
69.52615	0.2
72.18067	0.1
75.00871	1.6
75.94644	0.1
79.95747	0.2
93.03449	1.1
98.93125	0.4
105.01939	0.3
119.05024	100.0
129.16119	0.2
135.04500	0.2
152.95998	0.2
162.90302	5.6
163.00375	1.0
163.04021	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32891	0.4
75.00885	0.4
77.60619	0.3
80.52197	0.4
93.03455	0.9
105.01972	0.4
119.05020	100.0
121.06580	0.4
135.04549	0.9
163.00410	2.6
163.04002	14.2
163.05269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1125
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.02780	0.4
65.01418	0.5
66.13897	0.4
72.68571	0.4
77.76926	0.4
82.04101	1.9
87.68328	0.5
119.04997	0.5
121.04060	0.9
121.05193	5.7
136.05174	0.7
163.11288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17200	0.8
65.65140	0.9
68.44753	0.9
72.00916	1.2
91.02119	1.0
94.02975	1.7
94.07950	1.0
120.02135	5.1
120.04548	1.7
120.05382	1.1
121.02965	1.1
136.01714	1.2
138.03224	3.7
138.77199	1.0
147.04514	5.3
149.02461	3.8
150.57675	1.1
164.01161	100.0
164.03497	6.2
164.07143	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.048
Annotation	Tropate
Peak:m/z	Relative Intensity
57.13209	2.1
57.16576	1.9
80.96511	4.3
88.59974	2.3
91.05545	4.0
94.02979	3.6
103.05524	2.5
105.03485	3.8
108.02239	3.4
108.68952	2.7
115.82214	2.1
119.04988	4.0
120.04549	2.8
121.02898	2.8
132.91992	2.1
135.04546	39.3
145.02965	39.7
146.03741	31.4
147.04529	94.7
163.04031	35.7
164.03624	5.9
164.04807	100.0
164.07106	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Tricaine
Peak:m/z	Relative Intensity
50.55427	0.4
58.00821	0.3
65.03954	0.4
72.00857	0.6
87.56621	0.4
89.04739	0.4
92.05078	3.3
93.03451	53.1
114.25808	0.4
118.02991	0.7
120.04553	17.0
120.05390	1.1
121.02938	9.3
123.04542	0.8
136.04022	3.4
147.04495	2.6
162.05597	0.9
164.03482	4.0
164.07176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81738	0.6
58.37604	0.6
60.08028	0.6
69.91696	0.6
72.00909	31.0
79.42773	0.7
91.05521	4.2
92.05091	1.0
93.03456	15.0
103.05534	1.0
103.52308	0.8
113.17710	0.7
119.05028	1.5
120.04545	1.8
120.05348	12.4
121.02953	10.5
142.26381	0.7
147.04527	100.0
149.02451	25.0
152.74644	0.8
164.07179	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75386	0.4
62.59455	0.6
63.83434	0.4
72.00906	2.5
76.92432	0.5
82.12811	0.6
92.05054	28.8
93.03449	50.5
118.02997	0.9
120.04543	81.6
121.02966	8.2
121.90053	0.6
122.06127	0.6
126.05157	0.5
136.04048	12.7
142.80342	0.5
147.04533	11.7
149.02420	4.1
162.05620	2.2
164.03551	10.2
164.07176	100.0
181.72845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15624	0.6
72.00908	31.8
91.05520	4.3
92.23086	0.8
103.05508	1.2
110.87273	0.7
120.04522	1.4
129.68468	0.7
139.88872	0.7
146.06073	0.9
147.04517	100.0
164.07175	55.7
184.39859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Tricaine
Peak:m/z	Relative Intensity
54.75386	0.4
62.59455	0.6
63.83434	0.4
72.00906	2.5
76.92432	0.5
82.12811	0.6
92.05054	28.8
93.03449	50.5
118.02997	0.9
120.04543	81.6
121.02966	8.2
121.90053	0.6
122.06127	0.6
126.05157	0.5
136.04048	12.7
142.80342	0.5
147.04533	11.7
149.02420	4.1
162.05620	2.2
164.03551	10.2
164.07176	100.0
181.72845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
65.58554	0.2
72.23490	0.2
80.05051	1.1
92.05071	0.3
92.22378	0.2
107.15166	0.2
108.04641	0.2
108.08151	0.9
120.04534	0.4
120.05316	0.2
121.05324	3.9
136.04039	0.9
136.07677	12.4
137.04787	0.5
147.04510	0.2
149.02432	0.2
149.04823	7.1
152.03455	0.2
153.04327	0.4
164.03493	1.6
164.07170	100.0
174.66838	0.3
181.03813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.58636	0.4
72.00906	27.1
81.84267	0.4
91.05516	3.4
103.05524	1.1
121.99579	0.4
146.06094	0.4
147.04526	100.0
164.07178	56.3
164.10753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.34238	0.4
65.83145	0.5
72.00910	29.4
80.68616	0.5
89.76870	0.5
91.05531	3.6
92.05076	0.5
93.03412	0.6
100.17643	0.5
113.08398	0.5
120.04554	1.0
132.17592	0.5
136.04123	0.5
146.06165	0.7
147.04530	100.0
149.02390	3.7
164.04904	1.9
164.07188	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
50.06703	0.4
54.49689	0.4
57.03448	0.9
59.01382	3.4
65.49558	0.5
71.01385	1.2
72.99300	3.2
73.02931	0.8
75.00867	61.0
81.03448	1.2
85.02957	0.7
87.00877	2.7
89.02423	2.0
93.03452	2.9
95.01388	0.8
99.00877	2.4
101.02461	0.8
105.01922	0.6
108.02171	5.7
109.02937	12.1
117.01934	1.0
121.02948	5.2
122.03705	0.7
123.00890	2.5
124.01673	2.2
129.01935	11.5
136.01666	6.6
137.02441	100.0
147.02956	3.8
148.04871	3.5
150.03238	6.1
165.01927	88.6
165.04045	33.0
165.05521	1.9
165.07564	1.1
174.28905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18750	0.1
58.76999	0.1
59.01380	0.2
62.39590	0.1
72.00926	0.2
75.00864	2.9
91.01893	0.3
93.03445	0.7
107.72723	0.2
108.64570	0.2
109.02920	0.3
111.12819	0.2
118.18284	0.2
121.02950	100.0
122.03741	0.3
129.01933	0.4
129.59183	0.2
135.04521	0.2
136.01636	0.2
137.02440	2.0
147.03110	0.2
147.04527	0.3
148.04878	1.5
150.03238	3.5
164.89973	2.0
165.01933	10.9
165.04066	2.3
165.05547	1.1
165.07668	0.3
165.09213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
54.37608	0.5
56.83717	0.6
59.01380	3.7
65.00322	0.5
66.03484	1.4
70.54915	0.5
75.00867	16.5
81.03461	1.3
87.00889	0.6
91.01897	7.2
93.03466	5.0
94.02984	32.1
95.01415	1.3
104.36362	0.6
108.02172	5.6
109.02951	15.8
119.16048	0.6
121.02941	12.8
121.06580	1.4
122.02429	0.7
122.03729	1.0
122.06107	2.2
123.00891	2.2
124.01652	1.3
129.01913	3.3
136.01639	6.0
137.02451	100.0
139.04033	0.8
147.03003	0.9
147.04503	3.7
148.04878	1.1
150.03229	18.3
150.04314	0.7
165.01930	90.8
165.04066	8.8
165.05573	7.5
165.06720	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.74094	0.6
55.27101	0.6
65.00315	4.4
66.28042	0.8
69.06991	0.6
75.00864	7.0
91.01888	65.9
93.03458	16.6
96.96085	0.7
108.02168	7.7
109.02947	100.0
121.02952	37.2
122.03719	1.5
122.11220	0.8
123.00813	0.9
136.01671	5.8
137.02443	13.2
138.09682	0.8
144.02724	0.9
150.03224	18.3
164.89911	1.1
165.01927	72.8
165.04106	4.5
165.05486	9.3
165.07664	1.3
179.90753	0.8
183.93697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
51.79561	0.5
59.01370	0.8
71.01406	0.5
71.30987	0.6
72.99304	19.7
75.00868	12.5
87.00845	5.2
91.05528	2.4
93.03448	38.1
99.00870	1.2
103.05477	0.9
105.01907	4.3
105.13466	0.6
106.04227	0.9
109.02970	1.4
119.05011	25.3
121.02948	98.1
121.04826	3.1
121.06564	14.7
122.03688	0.8
129.01935	2.7
137.02451	10.3
147.04520	100.0
148.04916	2.3
150.03220	27.2
164.89980	1.2
165.01945	15.8
165.04045	11.9
165.05560	40.4
165.07555	2.7
165.09180	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
52.06096	0.2
71.32718	0.2
75.00851	1.8
75.74921	0.2
77.03963	0.2
85.13951	0.2
88.17947	0.2
89.00021	0.2
93.03459	0.5
100.92892	0.2
109.02945	0.3
121.02946	100.0
129.01965	0.3
137.02455	2.9
147.04605	0.2
148.04881	0.3
149.90779	0.2
150.03223	3.2
164.89946	1.9
165.01921	13.3
165.04076	1.2
165.05466	0.4
165.07570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
56.98163	0.3
57.03451	2.1
59.01384	6.2
68.00145	0.3
71.01378	3.5
72.99303	4.0
73.02953	0.4
75.00870	100.0
82.95142	0.4
83.11695	0.3
84.24503	0.3
85.02959	2.1
87.00874	6.5
89.02451	3.2
99.00888	4.3
101.02452	2.1
105.01933	0.8
111.00835	0.8
117.01926	0.7
129.01938	16.3
129.55719	0.3
147.02995	8.3
165.04045	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01872	2.7
57.03450	0.5
59.01387	6.1
68.04330	0.3
71.01388	3.2
72.99303	3.9
75.00869	100.0
80.55296	0.3
85.02955	1.6
87.00866	3.5
89.02438	3.9
89.82003	0.4
89.82578	0.4
91.10694	0.3
99.00882	4.0
101.02438	1.4
105.01920	1.5
117.01939	0.9
126.04461	0.4
129.01938	16.1
145.35095	0.4
147.02992	6.2
165.04045	59.0
165.22502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	3-Ethoxybenzoate
Peak:m/z	Relative Intensity
59.01381	12.7
66.76470	0.5
74.01768	0.6
75.00867	13.6
89.02454	0.7
91.01881	4.2
93.03453	10.3
93.04546	0.8
94.02982	16.8
99.00900	0.7
107.11397	0.5
108.02186	1.1
109.02942	8.9
119.04980	1.1
121.02950	100.0
121.06583	8.6
122.03716	3.2
122.06113	3.0
123.00872	0.7
123.04505	1.1
123.05629	1.1
129.01952	2.4
136.01678	2.3
137.02451	26.2
137.03511	1.0
137.06053	0.9
139.04022	5.6
147.04517	4.0
148.04907	1.1
150.03227	28.0
165.01920	41.5
165.04056	10.3
165.05556	33.8
165.06729	3.1
165.07793	0.9
165.08936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
52.87809	0.8
59.01382	28.3
63.69678	0.8
67.01897	0.9
71.01368	1.2
72.60124	1.0
72.87179	0.8
72.99313	1.4
75.00864	23.5
79.95726	3.7
87.00878	9.4
93.03449	27.7
99.00871	1.0
105.01929	7.3
109.02939	1.9
119.05023	2.1
121.02950	12.7
121.06584	26.9
122.03779	1.7
129.01959	4.2
137.02417	10.2
138.06299	1.1
147.03008	2.0
147.04527	1.1
150.03204	13.0
162.34579	1.0
165.01904	5.7
165.04051	24.7
165.05563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	Methyl 4-hydroxyphenylacetate
Peak:m/z	Relative Intensity
55.01878	0.4
57.03443	0.5
59.01382	3.8
65.00330	0.4
66.03484	3.2
67.01878	0.3
71.01364	2.1
72.99296	1.8
75.00869	42.3
85.02942	1.2
87.00861	2.5
89.02440	1.6
89.03964	0.5
93.03446	6.9
94.02984	16.1
95.01404	0.6
95.05028	0.3
99.00845	2.1
101.02459	0.5
102.76123	0.3
104.40995	0.3
105.01912	0.4
106.01727	8.8
109.02954	1.1
117.01897	0.5
121.02078	0.4
121.02952	12.5
121.04064	11.6
121.04846	0.5
122.03736	19.8
122.06153	0.3
123.04482	0.5
124.66846	0.3
129.01941	7.8
133.02962	27.7
134.03673	0.4
135.04572	0.4
135.05647	0.3
136.01649	2.7
137.02480	3.8
139.05130	1.6
147.03000	4.0
149.02382	2.4
150.03226	100.0
165.01991	4.6
165.04045	29.9
165.05565	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
59.34420	0.3
61.35995	0.4
62.78296	0.4
64.08036	0.3
72.00958	0.3
72.99306	19.1
75.00912	2.2
82.78606	0.4
87.00864	0.5
91.05544	2.3
92.05021	0.4
93.03442	8.7
93.05399	0.9
99.00897	0.4
103.05568	0.8
119.05019	24.4
120.04538	1.4
121.02960	3.3
121.04903	6.1
121.06596	3.9
136.03995	0.4
137.02451	1.6
137.04355	0.9
147.04524	100.0
148.04895	2.9
150.03232	3.6
165.01837	0.8
165.04054	2.8
165.05553	32.8
165.07578	1.4
170.38361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.1
59.01368	1.3
59.79746	1.2
75.00858	9.0
78.18904	1.1
81.03461	1.5
83.05029	2.1
87.83725	1.1
93.03454	1.9
95.47097	1.3
96.35184	1.3
109.02950	2.8
109.06596	1.7
111.08146	32.5
111.27748	1.1
118.70085	1.1
121.02959	35.3
121.06599	7.8
122.03667	2.4
123.04446	1.4
129.01918	1.6
137.02460	5.2
147.04555	1.5
150.03235	17.1
164.36407	1.4
164.89980	8.7
165.01909	8.0
165.04042	5.7
165.05542	10.3
165.07745	1.5
165.09203	5.4
165.12840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79528	1.1
56.61612	1.3
56.95195	1.3
57.03461	12.2
58.37658	1.5
75.00870	8.0
83.05023	2.3
83.74636	1.5
85.07442	1.4
87.00911	1.8
93.03437	1.9
97.06559	2.3
109.02947	6.3
111.08140	32.6
121.02951	26.3
121.06616	2.4
137.02448	13.1
150.03206	22.8
164.89923	3.0
165.01929	17.5
165.04060	7.7
165.05608	9.3
165.12840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0272
Annotation	isovanillate
Peak:m/z	Relative Intensity
59.14485	0.3
59.47272	0.3
66.03465	0.4
67.01892	2.0
74.89739	0.3
95.01379	1.9
122.06082	0.6
123.00877	26.8
123.01783	0.9
137.02487	0.7
151.00372	100.0
165.01936	2.3
166.02748	8.0
166.05028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.37050	0.2
55.76366	0.2
57.51368	0.2
64.89896	0.2
121.05300	1.8
134.61053	0.3
135.04504	0.3
136.05299	12.3
148.04065	0.3
151.00368	0.6
166.05095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
60.04424	0.2
61.30688	0.2
63.16433	0.2
66.03484	0.3
66.46256	0.2
81.11614	0.2
87.75618	0.2
92.14308	0.2
102.67068	0.3
105.14893	0.2
121.02950	3.2
122.03296	0.4
122.06155	0.3
123.00874	0.4
124.04054	0.4
136.05286	7.1
151.00400	1.8
151.02728	14.2
165.87941	0.2
166.05090	100.0
183.01717	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41001	0.2
63.00533	0.2
64.79624	0.2
66.03491	0.2
78.61680	0.2
83.39864	0.2
83.59681	0.2
96.04465	0.2
97.26768	0.2
102.77868	0.2
105.88833	0.2
122.03319	0.4
122.06086	0.2
124.09485	0.2
136.05301	15.2
139.41782	0.2
147.92410	0.2
151.00407	1.8
166.05096	100.0
176.77551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	3-Hydroxy-4-methylanthranilate
Peak:m/z	Relative Intensity
66.03488	14.1
67.01875	0.2
82.02998	0.6
85.87423	0.1
92.05045	0.2
94.02975	1.4
94.06632	2.1
95.05032	0.2
98.37878	0.1
103.01087	0.1
104.05064	100.0
104.71310	0.1
107.03777	0.7
108.04552	2.4
110.02473	0.3
114.56766	0.2
120.04547	3.5
122.02493	0.8
122.06117	63.5
123.00906	0.3
131.88127	0.1
136.04036	1.9
151.00381	2.0
166.02780	0.2
166.05077	6.0
166.06345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.78034	0.3
57.31265	0.3
67.89029	0.3
80.02709	0.4
80.05048	0.7
91.01937	0.6
95.01394	0.6
108.02173	39.0
111.04613	0.4
119.08838	0.3
121.02957	0.9
123.00887	6.3
123.04522	17.0
123.05603	0.7
124.01660	6.9
136.99182	0.4
139.04033	2.9
149.02480	0.7
152.01157	100.0
167.03497	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	2-(3,5-dihydroxyphenyl)acetic acid
Peak:m/z	Relative Intensity
93.03440	3.2
95.01385	1.5
95.05016	5.3
108.02159	26.2
109.02933	4.0
111.00740	1.1
121.02921	3.1
122.03720	4.2
123.00861	4.1
123.04515	100.0
124.01654	1.1
137.02464	1.0
139.03990	10.0
149.02440	8.4
152.01154	69.7
167.03488	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67007	0.2
55.03813	0.3
55.07706	0.2
57.29417	0.2
67.43127	0.2
80.02691	1.1
94.67013	0.3
108.02168	39.3
123.00838	0.3
123.04513	13.3
150.99414	0.3
152.01151	100.0
167.03490	19.5
167.04587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
56.45596	0.3
61.32443	0.3
62.10169	0.4
64.10165	0.4
71.72652	0.5
77.48250	0.5
77.75558	0.4
77.76017	0.4
95.01397	1.0
95.05009	0.4
108.02169	17.3
111.00861	4.3
123.00880	3.2
123.04500	2.2
124.01615	2.9
139.00421	0.6
151.00352	0.8
152.01164	30.6
167.03497	100.0
181.81519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.41142	0.2
65.00348	0.4
80.02689	0.8
91.01885	5.8
95.01424	0.3
103.42335	0.2
108.02168	37.5
111.00907	0.3
123.00903	1.1
123.04510	27.3
124.01643	0.9
149.02351	0.3
152.01149	100.0
167.03490	24.5
172.54907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
58.54508	0.3
60.69777	0.2
67.68690	0.3
80.02692	0.3
95.01373	0.3
98.53053	0.3
104.36344	0.3
108.02170	36.5
123.04518	16.8
124.01672	0.3
139.04082	0.4
149.02457	0.4
152.01154	100.0
167.03493	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1076
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
57.03448	1.8
66.20882	1.6
69.03452	4.0
75.06364	1.6
99.08144	12.5
101.81657	2.0
108.02150	15.3
123.04490	12.4
123.05553	3.2
152.01157	49.3
166.89706	2.1
167.03497	31.6
167.10760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
51.20125	0.4
55.31141	0.4
76.25282	0.4
108.02170	2.8
122.82289	0.4
123.04521	3.3
124.41181	0.4
152.01151	10.0
157.27516	0.4
159.31339	0.5
167.03477	5.9
167.10770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.103
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
52.01900	0.6
61.60559	0.3
74.99530	0.4
107.31839	0.5
122.09748	2.6
124.11337	5.3
150.09209	0.5
153.00635	0.9
167.99348	0.8
168.10298	100.0
176.77991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Nitramine
Peak:m/z	Relative Intensity
50.57877	1.3
58.02977	100.0
63.49329	1.7
69.80621	1.3
113.22933	1.5
168.13922	13.5
168.61989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9812
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
57.25259	0.5
62.98977	0.5
71.01376	75.1
71.57803	0.6
72.03378	0.5
80.96509	24.1
87.00862	3.0
96.95972	2.6
120.15743	0.6
150.97060	85.8
168.98120	100.0
182.24660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9812
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
62.55639	0.4
62.71141	0.4
71.01379	74.0
72.82595	0.4
73.18963	0.3
78.06161	0.4
79.95701	0.5
80.96517	20.7
80.96996	0.9
87.00877	3.3
95.05008	0.7
100.46340	0.4
106.98093	0.9
108.00196	0.4
111.37764	0.5
114.72867	0.4
121.46092	0.5
122.97605	0.7
125.02435	0.7
150.97067	85.8
168.98126	100.0
169.04982	0.7
169.08725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12985	0.6
53.58075	0.4
54.27688	0.5
64.92239	0.6
69.03444	1.0
71.01378	77.8
79.95735	2.3
80.96516	24.4
87.00867	3.2
92.22650	0.6
95.77674	0.5
97.02952	1.9
106.98115	1.0
113.02448	1.0
122.97573	0.8
124.93716	1.2
125.02384	0.8
125.06093	0.8
125.99658	1.1
150.97063	83.2
153.99089	3.4
166.67229	0.6
168.96547	3.6
168.98123	100.0
169.05165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9813
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
51.12985	0.6
53.58075	0.4
54.27688	0.5
64.92239	0.6
69.03444	1.0
71.01378	77.8
79.95735	2.3
80.96516	24.4
87.00867	3.2
92.22650	0.6
95.77674	0.5
97.02952	1.9
106.98115	1.0
113.02448	1.0
122.97573	0.8
124.93716	1.2
125.02384	0.8
125.06093	0.8
125.99658	1.1
150.97063	83.2
153.99089	3.4
166.67229	0.6
168.96547	3.6
168.98123	100.0
169.05165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
70.88022	1.1
71.01382	5.0
74.99385	1.2
75.10519	1.3
82.85040	1.3
116.88618	1.1
125.00953	43.4
126.98883	100.0
141.97600	8.4
150.97061	2.3
168.99945	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54214	0.2
52.90602	0.2
53.17467	0.2
53.97615	0.2
67.05311	0.2
69.03449	2.0
72.78475	0.2
81.03465	3.0
90.08878	0.2
95.01396	0.2
97.02943	2.6
107.01410	0.4
109.92407	0.2
123.00941	0.2
124.01655	0.4
125.02440	100.0
151.00354	0.5
169.01427	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallic acid
Peak:m/z	Relative Intensity
61.01059	0.2
63.93665	0.2
69.03451	2.3
70.93402	0.2
79.01938	0.3
81.03449	3.4
97.02417	0.3
97.02930	2.6
107.01412	0.5
124.01674	0.5
125.02441	100.0
169.01431	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallic acid
Peak:m/z	Relative Intensity
63.29613	0.2
63.68191	0.2
67.01905	0.3
69.03445	3.0
69.81449	0.2
71.01388	0.6
81.03459	2.3
82.77297	0.2
83.01376	0.5
83.05034	0.4
84.92438	0.2
85.02933	0.3
92.23070	0.3
95.01379	0.5
95.05024	1.3
97.02934	4.4
97.06587	1.7
100.89152	0.2
107.01385	0.5
107.05047	1.8
107.77588	0.2
109.02933	0.6
109.35493	0.2
110.03732	0.4
111.04589	0.3
116.60522	0.2
123.04539	0.3
124.01678	0.4
125.02436	100.0
125.06046	4.9
125.09695	0.4
134.29941	0.2
139.00310	0.3
139.07654	0.5
141.22557	0.2
151.00337	1.6
151.03963	0.5
162.16531	0.2
169.01422	42.7
169.05051	2.9
169.12274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
55.01891	0.3
58.40949	0.3
62.94752	0.3
69.03458	7.3
71.01386	0.4
71.05028	2.1
79.01897	0.4
81.03448	5.9
83.01382	3.4
85.02956	0.4
85.82726	0.3
95.01386	12.1
95.05048	0.8
97.02946	8.1
98.40913	0.4
107.01385	15.4
116.13765	0.4
117.24421	0.3
123.00875	12.5
123.08160	0.5
124.01663	10.9
125.02436	24.9
125.06087	2.3
125.09707	13.1
139.00340	0.4
141.01990	0.7
151.00368	100.0
169.01427	35.1
169.05177	3.4
169.08694	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
52.25859	0.5
55.01875	4.2
64.18435	0.7
69.03445	3.1
71.05023	22.2
83.05031	6.3
94.09777	0.7
95.05037	0.8
123.08182	7.0
124.71768	0.7
125.09721	100.0
169.08708	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
51.58475	0.3
54.11324	0.3
55.01876	5.0
56.41697	0.3
57.03447	0.4
61.73221	0.3
62.21148	0.3
62.72599	0.3
65.89924	0.3
67.57006	0.3
69.03452	3.8
71.05016	24.7
71.05414	0.9
80.02685	0.5
81.03470	0.5
83.05027	5.8
83.83320	0.4
95.05004	1.3
97.06570	1.6
99.00876	13.3
100.01669	2.5
123.08144	7.1
125.02519	0.5
125.09711	100.0
133.09230	0.4
155.48376	0.3
162.83794	0.4
169.01422	0.8
169.03963	0.8
169.06400	0.5
169.07382	0.5
169.08705	11.4
169.12317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
50.37660	0.8
53.17201	0.9
53.22796	1.0
57.01573	1.0
64.46336	1.0
68.47125	1.0
69.03460	1.1
95.05019	2.2
107.05007	1.7
125.02448	7.0
125.06063	3.9
125.09745	8.2
169.01523	1.7
169.05156	2.4
169.06451	1.4
169.08705	5.3
169.12343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07542	0.9
70.90205	1.0
71.01383	1.2
97.06604	1.0
107.48244	1.1
107.54682	1.0
125.02479	1.2
125.09707	5.0
145.54932	0.9
168.98116	1.1
169.03941	1.2
169.12332	100.0
187.16089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
54.78172	0.6
55.47390	0.7
83.05018	15.4
85.06597	3.7
88.22775	0.7
101.05436	1.6
101.06082	42.3
113.09723	1.5
122.12392	0.9
125.06161	0.9
125.09719	1.4
140.08440	13.7
141.12854	8.0
151.70721	0.8
169.12347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69750	1.1
51.57005	0.9
60.93031	0.9
81.39763	1.1
88.53627	1.3
92.23129	1.6
95.36623	1.1
97.06551	1.2
125.06049	1.4
125.09718	3.8
132.43513	1.2
142.98331	1.2
169.12332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06375	0.2
66.09420	0.1
69.31329	0.2
92.22472	0.3
97.55744	0.2
111.00836	0.2
121.48158	0.2
123.00853	0.7
124.01660	0.3
133.82848	0.2
134.21152	0.2
139.00374	2.5
140.01166	10.8
153.00653	0.2
161.78159	0.2
170.00954	100.0
184.97418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0822
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
50.41046	0.5
55.01886	9.0
55.99010	0.5
57.03447	1.0
61.60730	0.5
66.03461	0.5
66.25685	0.6
69.54193	0.5
69.63280	0.5
70.02963	0.7
73.35972	0.5
73.80213	0.5
81.02201	1.2
82.02995	1.0
87.63638	0.6
98.06169	0.6
124.07671	25.5
126.09241	100.0
140.01140	2.3
141.75516	0.6
169.99509	0.7
170.00952	21.2
170.08231	51.4
187.77032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0824
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
55.01887	9.0
57.03446	1.7
81.02181	2.0
82.02988	2.3
83.45517	1.0
92.22620	1.1
103.13751	0.9
106.06634	1.6
124.07674	26.5
126.09241	100.0
139.00404	1.1
140.01146	1.9
140.03508	1.2
140.24263	0.9
170.00938	24.5
170.04539	2.2
170.08220	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
52.22952	0.2
59.25251	0.2
59.54673	0.2
64.05019	0.2
69.24097	0.2
76.20324	0.2
76.46947	0.2
76.53996	0.2
78.39896	0.3
82.99620	0.3
83.05032	0.5
99.00861	0.4
125.09699	0.3
127.07645	100.0
127.11276	1.2
153.09227	0.4
159.31261	0.2
171.06638	17.3
171.10265	16.3
173.23413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
52.56445	0.1
99.08167	0.2
99.99607	0.2
118.92024	0.2
127.07643	100.0
171.01878	0.2
171.06628	15.5
171.10271	3.7
171.11699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
105.82009	0.4
107.41690	0.4
114.09758	0.4
125.09724	2.3
127.11294	5.1
155.72824	0.4
171.10272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.24089	0.4
52.29375	0.4
67.95717	0.6
71.05016	26.4
83.05009	4.1
99.08138	4.3
106.60788	0.5
123.33459	0.7
125.09708	6.3
127.11282	100.0
152.84111	0.5
153.09207	15.8
171.10272	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17711	0.1
50.52524	0.1
58.02976	1.8
61.10471	0.1
64.99044	0.1
67.33357	0.1
97.00028	0.1
103.68013	0.1
105.55019	0.1
110.53135	0.1
128.10811	8.0
130.08733	100.0
133.49464	0.2
144.04536	1.1
168.30627	0.1
168.79771	0.1
171.98029	0.2
172.04039	0.8
172.09782	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24085	0.5
55.54042	0.7
57.03450	11.0
58.20895	0.5
59.06425	0.6
59.18849	0.5
83.05014	6.5
104.15963	0.6
105.17049	0.6
108.11376	0.7
109.06578	1.3
111.08152	94.5
128.10825	17.3
137.31685	0.6
143.53238	0.6
153.33475	0.6
154.08751	4.4
168.65506	0.7
172.09789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53871	0.2
58.02999	0.5
61.68777	0.2
63.23351	0.2
71.46571	0.2
100.98003	0.2
128.07918	0.4
128.10799	3.3
130.08731	100.0
162.74994	0.2
172.09769	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	1.0
66.34725	0.2
79.88985	0.2
90.59704	0.2
93.04102	0.2
98.24995	0.2
103.37226	0.2
118.47197	0.2
128.10841	2.8
130.08736	100.0
157.77872	0.2
158.39787	0.2
172.09781	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51526	0.2
53.65343	0.2
58.02991	1.0
61.65376	0.2
66.72291	0.2
128.10808	3.3
130.08734	100.0
144.04539	3.3
160.05144	0.2
172.04135	2.0
172.09787	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
56.81374	0.3
58.03000	1.8
60.35045	0.3
71.24271	0.3
72.90481	0.3
77.56979	0.3
128.10809	6.9
130.08731	100.0
144.04552	1.8
172.04053	0.7
172.09763	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39445	0.2
52.16449	0.2
54.18757	0.1
58.02986	1.9
59.24382	0.2
63.07173	0.2
63.95892	0.1
69.62026	0.2
78.91393	0.2
81.80283	0.1
101.49004	0.2
124.50212	0.2
128.10815	8.5
130.08736	100.0
172.09796	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33718	0.2
54.74055	0.3
55.96770	0.3
58.03000	1.3
85.69316	0.3
102.97072	0.3
111.08128	0.4
128.10802	6.5
130.08736	100.0
161.17079	0.4
167.83990	0.3
172.04036	0.4
172.09776	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85186	0.2
58.03004	1.7
82.06609	0.4
88.04064	0.4
123.19701	0.3
128.10809	8.5
130.08736	100.0
134.21889	0.4
156.10153	0.3
170.61090	0.4
172.09761	21.3
182.62303	0.3
182.64055	0.3
184.67758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38945	0.2
51.35358	0.2
53.98808	0.2
54.18413	0.2
58.85472	0.2
59.41578	0.2
75.77208	0.3
103.66178	0.3
120.97328	0.3
128.10805	2.7
128.97229	0.3
130.08734	100.0
135.52826	0.3
140.61122	0.3
172.04024	0.3
172.09767	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
65.83444	0.2
67.01892	3.2
72.99306	4.3
73.02947	1.1
83.01392	2.3
85.02947	31.7
86.53064	0.2
93.03452	5.5
95.42382	0.2
99.00880	4.1
101.02444	6.5
111.00879	100.0
111.04488	1.4
129.01941	11.1
129.02847	0.5
154.99870	16.0
173.00914	9.6
173.04555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
60.99326	0.3
63.08145	0.2
67.01895	3.3
69.03468	0.4
71.01376	0.6
73.02938	1.5
80.42429	0.2
83.05034	2.0
83.99174	0.2
85.02948	100.0
87.00870	0.2
93.03449	13.6
99.00900	0.6
99.04494	0.5
111.00880	14.7
111.04498	3.5
129.01939	17.2
129.05571	2.5
137.02458	0.5
155.03439	0.8
173.00932	1.5
173.04559	5.5
173.08180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.11910	0.4
50.34670	0.3
54.58957	0.3
55.41003	0.3
57.03433	0.4
66.80847	0.4
67.01880	1.0
71.01362	0.7
73.02942	0.7
82.81473	0.4
83.05003	1.7
85.02943	100.0
92.22852	0.5
93.03449	7.7
99.04508	0.4
111.00877	16.5
111.04505	3.5
129.01936	17.7
129.05577	2.7
145.04909	5.0
155.03535	0.8
161.45589	0.4
173.00967	1.5
173.04491	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28701	0.3
54.02147	0.2
55.01891	0.2
57.03455	2.8
59.01379	0.5
60.99319	0.5
62.51515	0.2
66.10896	0.3
67.01891	10.7
67.02244	0.5
67.36391	0.3
69.03462	0.7
71.01382	1.1
72.99313	1.6
73.02946	4.2
81.03471	0.3
83.01384	1.3
83.05026	1.9
85.02946	12.5
93.03455	31.1
99.00854	1.9
99.04533	1.5
101.02456	1.3
111.00879	100.0
111.04518	12.2
111.05280	0.5
111.08140	0.4
114.14484	0.3
127.07594	0.3
129.01944	2.9
129.05571	0.6
132.77463	0.3
137.02443	3.2
149.40800	0.3
154.99887	6.0
155.03511	5.7
173.00940	3.3
173.04564	6.6
173.08234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
67.01888	3.4
85.02949	100.0
93.03455	7.9
99.00890	0.6
111.00881	25.7
111.04539	2.0
112.10130	0.5
125.07005	0.5
129.00970	0.8
129.01938	19.8
129.05547	0.8
154.99847	1.0
173.00885	2.8
173.04538	2.2
174.59378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03445	2.6
58.00587	1.0
59.01375	3.2
60.28381	0.5
65.03965	1.2
67.01904	1.1
69.03468	1.5
71.01369	4.9
72.99297	6.1
73.02941	55.2
81.03469	6.3
83.05024	22.8
85.02948	9.8
86.68487	0.5
93.03451	100.0
95.94682	0.6
99.00877	13.4
99.04513	17.8
99.50856	0.6
109.02951	1.0
111.00881	6.1
111.04514	49.8
113.02398	0.6
117.00430	0.7
129.01929	6.2
129.05554	1.1
137.02452	35.0
143.03545	5.7
155.03490	11.2
173.04546	20.8
177.24658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01885	1.4
57.03449	1.2
58.00592	0.9
59.01376	1.4
65.03963	1.5
65.11163	0.5
67.01904	0.8
69.03457	2.8
71.01377	4.0
71.05025	2.4
72.99301	0.8
73.02944	54.3
81.03452	6.6
83.01375	0.6
83.05022	23.1
85.02943	10.0
85.78591	0.5
93.03455	100.0
96.92613	0.6
99.00884	13.9
99.04515	17.3
101.02451	1.2
110.31985	0.6
111.00888	9.1
111.04514	41.5
112.21067	0.7
125.81019	0.6
129.01953	7.4
129.02797	0.8
129.05589	2.5
137.02448	33.1
143.03506	6.0
143.04433	0.6
155.03514	10.0
157.95959	0.6
171.28940	0.7
173.04544	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03445	3.8
59.01376	0.6
60.99319	0.6
65.22181	0.2
67.01894	3.7
69.03448	1.0
71.01365	2.9
72.99288	0.3
73.02932	3.3
81.03459	1.1
83.01382	0.5
83.05023	10.2
85.02944	17.8
87.00866	0.3
93.03447	24.2
99.00871	1.0
99.04508	0.5
99.08160	0.2
101.02442	0.5
109.02951	0.4
109.06577	1.9
111.00873	24.1
111.04513	15.0
111.08147	100.0
125.99558	0.4
127.04018	1.1
129.01941	3.1
129.05577	0.4
129.09209	5.9
137.02432	1.3
154.99898	3.8
155.03497	20.8
155.07141	0.3
161.01355	0.2
173.01012	1.9
173.04549	30.0
173.08180	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
53.91047	0.2
60.63551	0.2
62.54715	0.3
67.01865	0.5
73.02920	0.3
75.42995	0.3
93.03447	4.5
99.00870	0.3
109.09277	0.3
111.04496	0.7
127.11300	7.8
137.02440	0.4
155.10742	2.5
171.10353	1.2
173.04556	0.6
173.11821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.056
Annotation	4-methoxy-1H-indole-3-carbaldehyde 
Peak:m/z	Relative Intensity
58.02974	0.1
68.13031	0.1
78.21066	0.1
81.39449	0.1
85.02831	0.1
85.58636	0.1
86.60689	0.1
88.04076	0.1
92.47939	0.1
94.03773	1.1
112.04854	0.5
130.06544	0.2
130.08691	0.2
131.03743	0.7
138.02814	0.2
145.05363	0.2
146.06116	2.7
156.04599	0.2
159.03329	0.2
174.05603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	75.6
63.09223	0.3
71.01379	100.0
72.99291	0.6
73.02954	0.4
77.59518	0.3
85.02924	0.4
87.00858	1.4
89.02455	0.4
91.37906	0.4
92.22487	0.5
96.99289	0.4
99.08154	0.4
114.99605	0.6
115.00362	12.3
115.03983	0.5
132.02109	1.6
133.01425	1.2
160.01653	7.9
160.05202	1.7
166.55434	0.4
175.02402	1.4
175.03909	2.2
175.06154	0.6
175.07532	0.8
175.09709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Propane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
52.63501	0.2
55.77829	0.2
59.01368	0.3
61.59772	0.2
65.03203	0.2
65.11144	0.2
69.03454	25.3
71.01379	3.5
72.99300	1.9
85.02898	1.6
85.06554	0.4
87.00830	0.3
87.04508	30.7
113.02444	19.5
113.06045	1.4
115.00364	0.4
131.03502	8.8
157.01422	100.0
175.02492	13.0
175.04013	0.6
175.06145	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
59.01384	75.0
62.45396	0.7
71.01379	100.0
87.00829	0.9
87.72310	0.8
90.10351	0.6
113.06120	0.8
115.00371	12.9
175.09698	0.8
187.11711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01365	2.3
71.04999	0.6
72.99306	1.1
85.06583	34.8
88.86022	0.5
113.01312	0.6
113.06079	41.3
114.90366	0.6
115.03999	100.0
125.85276	0.6
129.05566	2.3
131.07118	10.2
136.04121	0.6
157.05040	11.8
175.06117	59.4
187.86223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
54.19731	0.4
59.01385	100.0
60.45018	0.3
66.15045	0.4
69.03449	4.9
71.01385	0.8
73.02970	0.7
75.00885	0.4
82.04258	0.3
83.01404	0.5
85.02955	2.4
85.06575	0.6
85.88725	0.4
87.00874	2.2
93.03451	0.4
97.22283	0.4
103.04010	3.9
113.02447	0.8
113.06099	2.4
115.04017	1.7
117.01946	0.4
129.05591	0.6
129.07573	0.5
131.03499	0.9
133.05067	5.5
157.05136	0.7
168.78574	0.4
175.02492	2.1
175.03886	0.8
175.06242	5.1
187.24408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
72.99303	17.4
85.06582	55.6
87.00865	45.5
87.04501	3.0
99.08081	0.6
101.02439	14.4
101.06063	1.4
113.06081	65.6
115.03999	100.0
122.14906	0.6
129.05553	3.7
129.09160	0.7
131.07124	14.4
132.75011	0.6
157.05064	17.0
173.55281	0.7
175.06119	92.3
175.09663	2.8
184.97081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
50.12287	0.3
53.18011	0.3
64.79095	0.3
67.20560	0.4
69.03465	0.8
72.99304	100.0
85.06060	1.1
85.06582	33.1
87.00873	6.3
93.03429	0.4
101.02444	0.5
101.06081	10.5
113.06081	74.5
115.03960	3.6
129.05605	0.5
131.07132	11.3
157.05060	30.5
160.01636	3.6
175.06120	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28244	0.5
56.77600	0.6
59.01382	10.9
62.93812	0.5
67.82365	0.5
71.01384	1.4
72.99306	4.0
84.17807	0.7
85.06589	45.0
87.00874	34.6
87.04523	4.2
90.69038	0.6
101.02438	3.1
112.19694	0.6
113.06084	54.4
115.04005	100.0
125.52617	0.7
129.05569	2.9
131.07132	9.7
147.02762	0.7
157.05093	14.3
160.05304	4.0
175.02391	1.5
175.06128	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
69.03444	0.8
71.01412	0.6
71.05030	0.6
71.34891	0.5
72.99311	5.2
74.54827	0.6
75.10129	0.6
76.91080	0.6
85.06586	37.6
87.00862	1.1
93.03437	1.2
99.08167	2.6
113.06081	43.4
115.00366	1.0
115.04002	100.0
129.05600	3.0
129.09206	4.9
131.07133	11.4
132.02191	0.9
132.45892	0.7
157.05058	11.4
160.01663	8.4
175.03958	2.4
175.06142	65.8
175.09724	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
51.03138	0.4
52.47813	0.4
57.28189	0.5
59.01385	12.7
63.17597	0.4
64.48606	0.4
68.08693	0.5
70.85197	0.4
72.99307	0.6
79.51631	0.5
83.70428	0.4
85.02946	2.9
85.06585	31.7
87.04510	3.3
113.06085	35.3
115.04004	100.0
129.05563	1.2
129.09238	0.6
131.07129	7.9
133.05067	20.5
152.64749	0.6
154.59010	0.5
157.05060	9.0
160.01546	0.8
175.06126	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01387	6.7
63.40985	0.5
69.03457	0.5
70.37985	0.4
71.09518	0.4
72.99306	18.8
76.35627	0.5
85.06587	52.1
87.00870	41.8
87.04520	3.9
101.02426	2.3
101.06071	1.2
113.02456	0.5
113.06084	64.1
115.04002	100.0
129.05588	2.9
129.09169	0.6
131.07130	10.6
133.42708	0.4
157.05061	18.8
175.06123	98.2
175.09610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0976
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.37268	0.3
59.07041	0.3
59.54138	0.4
60.05149	0.3
60.18916	0.4
64.60004	0.3
67.50114	0.3
67.51589	0.4
72.99303	50.1
75.00867	52.7
92.23228	0.4
96.11446	0.4
99.08146	1.7
113.09747	0.5
127.07657	0.7
129.09210	9.7
174.93793	2.3
175.09755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44702	0.5
61.31492	0.6
72.99301	57.5
75.00865	59.7
83.98294	0.7
86.00558	0.6
91.01862	1.0
119.01324	0.9
129.09203	8.0
147.04578	1.1
160.01646	0.9
160.05319	1.4
161.85532	0.7
175.03929	1.2
175.09753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77835	0.7
61.92536	0.9
92.02678	7.1
95.01369	2.1
95.09000	1.1
108.02174	23.4
120.02158	24.6
138.03200	1.2
148.01671	28.9
176.01152	100.0
176.03592	5.8
176.07211	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16304	2.4
55.99690	2.5
60.62398	2.4
67.01904	2.9
69.23510	3.4
85.02936	4.4
87.23881	3.0
93.03457	17.0
108.02130	3.4
109.02960	11.8
111.04523	4.0
134.03658	3.8
135.04535	90.8
136.79996	2.8
148.03955	5.2
155.74916	3.0
161.01210	4.4
176.03540	34.1
176.07120	17.3
179.03513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.46881	0.2
58.98717	0.2
58.99649	0.2
74.40434	0.2
77.68266	0.2
80.42992	0.2
87.56921	0.2
95.25446	0.2
105.03461	0.5
107.60788	0.2
114.49240	0.2
116.40591	0.2
118.38386	0.2
120.39148	0.2
121.02975	0.4
132.02162	1.3
133.02948	18.6
134.03761	0.2
149.06030	0.5
151.59654	0.3
152.77890	0.3
162.03207	4.4
176.01117	0.2
177.01935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31400	0.2
59.01378	2.0
67.50741	0.2
70.60372	0.2
71.01369	1.1
75.00871	0.3
75.11957	0.3
79.95761	0.3
85.02908	0.3
87.00874	1.9
89.02440	13.7
89.38115	0.2
93.03426	1.8
95.05009	0.4
99.00921	0.3
101.02420	0.3
105.01920	1.0
105.03449	1.5
115.04005	0.3
121.02957	3.3
123.04520	2.6
129.01926	0.4
132.02173	0.5
133.02962	5.7
133.03963	0.4
133.06607	0.6
134.03773	0.6
134.06091	1.2
135.05678	1.1
139.03981	0.4
141.08176	0.3
145.02943	1.2
147.05650	0.2
149.02452	4.5
159.03040	1.1
161.02499	0.3
162.03229	29.4
177.01936	100.0
177.05519	6.4
177.06789	2.3
185.32227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76878	0.2
71.05012	0.5
78.14975	0.2
79.05000	0.2
80.05901	0.2
81.03458	1.0
85.01437	0.2
85.02930	0.3
87.00872	3.1
89.03960	2.5
90.07449	0.2
91.75718	0.2
95.05035	0.2
105.03452	6.8
107.01385	0.2
110.86160	0.2
115.03987	0.8
121.02932	0.2
121.35582	0.2
131.03448	0.3
133.02956	17.2
149.02417	1.9
162.03238	1.5
177.01933	100.0
189.53143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44995	0.1
58.54682	0.1
59.01385	0.2
71.01371	0.2
72.14761	0.1
79.86639	0.1
87.00898	0.2
93.03456	1.4
95.05070	0.2
105.03468	2.0
121.02956	3.5
123.04528	2.0
129.01881	0.2
132.02147	0.7
133.02951	5.0
133.06622	0.2
134.03720	0.3
135.05656	2.4
139.03987	0.7
148.01633	0.2
149.02451	4.6
162.01871	0.2
162.03226	6.3
177.01939	100.0
177.06805	3.6
179.93434	0.1
197.97325	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0556
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
62.06283	0.3
67.62946	0.3
78.65079	0.3
91.39536	0.3
92.22521	0.5
103.83557	0.3
117.01960	0.4
133.02931	1.5
134.03706	2.2
141.24956	0.3
161.02522	2.4
162.03223	100.0
172.04883	0.3
177.04184	0.6
177.05547	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
59.01375	1.2
61.18041	0.3
61.61894	0.3
62.69545	0.2
64.35798	0.3
71.01371	0.4
87.00853	0.5
92.22543	0.5
98.00208	0.3
99.00878	0.3
107.05005	1.3
121.02969	0.4
133.02985	3.8
133.06627	0.7
134.03748	4.5
135.04529	8.4
137.02455	0.3
145.02969	0.3
149.06073	1.6
159.04503	1.7
161.02484	0.5
162.03242	19.9
177.02148	5.1
177.05576	100.0
188.64630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
51.82499	0.1
52.67332	0.1
56.25291	0.1
61.91540	0.1
83.44757	0.1
92.22445	0.1
106.04250	0.2
118.58240	0.1
133.02977	0.3
134.03748	2.5
161.02432	0.7
162.03232	100.0
177.05571	11.6
177.07170	0.3
180.01047	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0557
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
51.49015	0.3
53.88138	0.3
55.37715	0.3
59.01373	0.5
60.67728	0.3
76.45978	0.3
80.11469	0.3
105.03418	0.4
117.03445	14.9
118.04234	11.5
121.02946	15.6
123.04514	5.4
133.02966	2.8
133.06624	0.4
134.03734	1.6
139.68959	0.4
141.45865	0.3
145.02950	38.0
147.04526	0.5
149.02420	0.5
154.76402	0.4
162.01851	0.6
162.03224	24.2
177.05565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0922
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
57.49086	0.1
59.01373	0.4
60.49479	0.2
61.98799	0.2
62.90214	0.2
80.39339	0.2
83.01208	0.2
133.02972	0.3
134.03734	0.2
162.03239	9.5
162.06837	0.2
177.05989	2.0
177.09210	100.0
194.06030	0.2
197.49321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71515	0.2
61.71624	0.2
73.34601	0.2
80.51120	0.3
93.03455	0.5
94.02968	0.5
95.01360	0.4
104.63659	0.2
107.01368	2.5
120.00876	0.3
121.01659	0.4
122.01644	0.5
122.02473	9.8
123.00862	0.4
133.01704	0.4
134.02463	5.7
134.03418	0.5
134.06058	0.5
149.06030	0.5
150.01970	31.8
163.03767	0.3
178.01450	100.0
178.04811	4.3
178.08646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82673	0.8
58.02974	22.3
58.33796	0.8
76.05920	0.9
87.00854	5.7
88.01182	6.0
106.04249	8.5
108.02170	0.9
111.00845	1.7
115.04048	0.9
116.04307	2.2
118.03574	0.8
121.02966	1.7
133.02943	35.3
134.03728	100.0
135.04459	1.2
137.02432	24.6
139.03984	8.4
149.02458	1.6
149.06128	1.4
150.03197	4.3
160.03333	1.0
163.03552	3.7
178.02655	15.0
178.05165	37.7
178.08717	43.6
181.68732	0.9
188.00916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39860	1.4
56.81643	1.4
57.32558	1.5
58.19336	1.6
66.33005	1.8
81.03455	4.2
106.31091	1.7
107.01368	3.3
108.02178	19.3
119.01339	4.1
122.03710	2.0
123.00874	18.7
125.02430	6.3
125.77424	1.8
133.02971	14.2
134.03738	6.8
135.00873	11.8
136.01688	13.9
136.30191	1.9
136.54976	1.8
149.02422	2.2
150.03200	9.9
151.00371	6.7
163.03539	13.6
177.02010	3.2
178.01468	4.3
178.02725	100.0
178.05147	8.5
178.08771	8.7
198.15092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0874
Annotation	beta-PHENYL-gamma-Aminobutyric Acid
Peak:m/z	Relative Intensity
58.02978	60.6
80.61768	0.5
86.87707	0.5
87.41956	0.5
93.03436	0.9
101.80497	0.5
106.04240	8.1
119.05029	1.2
121.02962	0.6
122.68650	0.5
133.02951	6.3
134.03745	18.8
134.06128	5.2
136.04047	0.6
137.02435	3.6
139.04005	1.2
149.06105	3.2
163.03618	0.6
166.71971	0.5
178.02597	3.3
178.05171	7.2
178.08739	100.0
180.28305	0.7
186.62044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38961	0.2
57.90932	0.2
59.01388	0.3
67.52560	0.3
70.50201	0.2
78.95900	7.6
79.44895	0.3
79.95728	0.3
89.76704	0.3
97.23938	0.2
104.23188	0.3
106.39504	0.3
119.93716	0.6
134.96089	19.3
136.94006	100.0
151.92726	4.7
165.17189	0.3
172.11328	0.3
173.47488	0.3
178.95045	66.8
179.05641	0.6
196.96155	1.3
199.68846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42676	0.4
51.20053	0.4
54.19429	0.4
57.40080	0.4
59.01363	0.5
70.51565	0.5
72.99326	0.5
78.95904	100.0
84.48476	0.5
85.02962	0.8
87.00906	0.7
97.64610	0.4
134.96188	6.1
134.97160	3.8
136.94122	28.7
136.95074	14.6
151.92857	1.1
161.04688	0.9
164.01393	0.8
178.96298	26.4
179.04349	0.8
179.05872	2.6
194.62932	0.5
196.97427	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
58.38090	0.4
59.01384	7.9
69.03448	0.3
70.38467	0.4
71.01377	8.2
72.99306	2.6
73.02943	1.7
75.00861	3.2
79.95710	0.7
80.96503	6.4
87.00399	0.4
87.00852	3.0
89.02437	3.5
90.98589	0.7
99.00867	10.7
101.02433	0.7
103.00367	4.5
107.05045	0.7
108.02175	0.5
109.02956	0.7
117.01921	1.5
117.03403	0.4
121.02952	0.7
129.38666	0.4
133.01421	2.2
134.03743	3.1
135.04523	100.0
136.05309	0.9
138.61400	0.4
140.28563	0.4
145.03009	0.4
146.03743	21.6
151.03975	0.5
161.00900	23.3
161.04662	1.3
161.06079	3.8
164.01161	2.4
164.04790	46.6
179.00139	4.4
179.01967	10.5
179.03520	23.6
179.05573	3.0
179.07016	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	3-(4-Hydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
59.01382	11.2
59.39924	0.3
59.40461	0.3
71.01370	4.1
71.05012	0.4
72.99297	1.6
73.02947	2.1
75.00868	26.3
76.60088	0.3
80.57442	0.3
80.96545	0.4
81.03456	2.3
85.02942	2.3
87.00864	2.9
89.02433	4.9
89.03983	0.4
91.05525	1.5
93.03474	0.6
96.35776	0.3
99.00880	3.7
99.04527	0.7
101.02419	0.7
106.04263	0.4
107.05027	8.6
108.02161	0.3
109.02973	2.8
113.02402	0.5
117.03477	0.7
123.04496	0.4
125.02422	0.4
131.03542	0.6
134.03749	13.2
135.04527	100.0
143.03470	3.0
151.04034	0.3
161.02551	0.5
161.04555	4.4
179.03528	7.0
179.05630	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28210	0.4
54.31525	0.3
59.01378	0.8
61.98795	0.4
63.42588	0.3
73.74849	0.4
89.02486	0.4
91.05540	2.0
106.04338	0.5
107.05030	7.7
109.02959	2.3
117.03484	0.5
117.55912	0.3
123.04518	0.6
134.03741	13.3
135.04527	100.0
146.03758	0.7
161.04517	0.4
164.01163	0.5
164.04816	0.6
179.03513	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16136	0.2
53.51718	0.2
57.76165	0.3
59.01382	7.1
61.87532	0.3
67.01948	0.2
69.33145	0.2
71.01376	4.2
72.37081	0.3
72.99310	0.4
73.02942	1.2
75.00867	10.1
80.96507	1.2
83.01392	0.3
83.03750	0.3
84.66038	0.3
85.02943	0.6
87.00867	2.8
89.02429	3.3
91.05539	0.6
93.03451	0.3
97.02937	0.5
99.00858	1.2
99.04421	0.3
101.02415	0.5
107.05025	3.9
108.04552	1.2
109.02964	0.4
113.02446	0.4
117.01948	0.2
117.03504	0.4
125.02455	0.4
134.03751	8.9
135.04526	100.0
143.03484	1.5
147.16136	0.3
149.02429	1.4
151.03976	0.5
161.04550	3.8
164.01271	0.5
164.04790	1.8
166.17717	0.3
179.00237	0.3
179.01921	0.6
179.03510	13.8
179.05623	11.9
179.06953	0.7
199.92923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	trans-2,3-Dihydroxycinnamate
Peak:m/z	Relative Intensity
51.35588	0.2
59.01385	2.8
71.01379	1.8
73.02982	0.3
75.00863	4.4
85.02961	0.7
87.00880	3.5
89.02446	1.9
92.59792	0.3
96.48630	0.2
99.00901	0.7
101.02472	0.4
107.01380	0.3
108.02161	5.3
109.02949	100.0
111.00883	0.6
117.01933	0.3
123.00874	2.8
123.78899	0.3
124.01643	2.5
125.02430	0.3
135.04610	2.3
136.01672	3.1
136.07695	0.4
137.02444	0.3
146.03732	1.2
149.02414	0.7
151.03969	0.4
161.04596	2.9
161.05916	0.5
161.07144	2.2
164.01112	2.9
164.04785	2.0
178.22256	0.4
179.03510	77.6
179.05573	6.8
179.08086	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.27968	0.2
52.54381	0.1
59.01384	1.6
71.01382	1.0
73.02969	0.2
87.00883	1.0
89.02436	0.7
97.02966	0.2
99.00885	0.2
101.02451	0.2
107.05020	1.1
113.02402	0.2
117.03419	0.2
121.02981	0.2
134.03757	1.9
135.04520	100.0
155.04141	0.2
161.04517	0.7
162.06541	0.2
164.01163	0.8
164.04776	0.2
179.03500	20.1
179.05525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
52.19199	0.3
58.67463	0.4
59.01384	10.3
65.97646	0.3
71.01382	5.2
75.00921	0.6
79.25702	0.4
85.02945	0.7
87.00875	2.6
89.02447	4.3
91.05535	2.5
95.01395	0.6
95.26953	0.4
96.96017	1.7
97.02934	0.4
99.00904	0.8
101.02454	0.7
106.26740	0.3
107.05010	0.6
108.02184	1.7
109.02953	0.5
110.64984	0.4
113.02454	0.5
117.01934	0.4
117.24054	0.3
119.03444	0.4
121.02967	2.0
123.00921	0.4
123.04561	0.5
125.02457	0.4
134.01387	0.4
135.03513	0.4
135.04533	11.2
135.08141	5.3
136.01663	18.0
146.03735	4.1
149.02373	0.6
151.00391	1.8
151.04039	0.8
161.04573	2.9
161.06001	0.6
164.01160	100.0
164.04822	9.9
179.00041	1.2
179.03500	28.8
179.05595	3.8
179.07152	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0383
Annotation	5-Methylthio-D-ribose
Peak:m/z	Relative Intensity
50.30449	0.4
57.97561	1.8
59.01387	4.0
64.97037	1.4
69.99406	0.3
71.01382	3.2
75.00883	0.6
77.96517	0.6
79.95737	96.8
80.96520	7.2
85.02914	0.5
85.06600	0.7
87.00870	2.6
89.02437	2.6
95.06110	0.6
98.44825	0.5
99.00858	0.7
99.07559	0.5
99.08163	11.9
101.02452	0.5
114.93639	0.8
115.07626	4.6
117.01859	0.5
117.45403	0.3
135.04533	3.4
137.08307	0.6
141.31129	0.4
151.04324	3.1
154.89691	0.4
161.04532	2.4
161.26208	0.4
164.01155	1.7
177.99442	0.4
178.81567	0.4
178.84358	2.3
178.88016	0.9
179.03847	100.0
179.10805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92524	0.5
55.81301	0.6
59.01372	5.9
64.97041	0.6
71.01382	5.7
75.00878	0.6
77.96522	0.7
79.95737	100.0
80.27877	0.6
80.48744	0.7
80.96504	7.9
82.45411	0.6
85.76933	0.7
87.00874	3.4
89.02433	3.5
99.08151	15.8
114.93609	1.0
115.07631	4.7
135.04526	3.4
137.08311	1.0
151.04301	3.6
161.04561	3.6
167.02251	0.7
178.84422	1.2
178.88072	1.6
179.03842	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
53.62118	0.7
59.01384	26.6
63.26363	0.9
64.31342	0.8
65.48040	0.8
71.01385	16.0
71.05016	1.2
72.99306	6.1
73.02946	4.9
75.00871	89.2
81.03453	4.5
83.01350	1.0
85.02960	5.9
87.00862	7.3
89.02448	15.0
91.51079	0.8
97.02946	0.8
99.00882	8.6
99.04488	1.5
101.02451	2.0
107.05028	1.5
125.02454	1.9
131.03503	1.1
134.03745	6.0
135.04532	66.0
143.03516	9.2
151.50565	1.0
161.04570	22.8
173.60510	0.8
179.03603	6.2
179.05624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
59.01384	13.3
69.00251	0.3
71.01374	6.6
71.05029	0.5
72.20033	0.3
72.99300	2.8
73.02930	3.6
73.35199	0.4
75.00867	38.3
80.96539	0.5
81.03458	2.3
83.01349	0.4
85.02950	3.8
87.00877	6.3
89.02435	6.8
91.05528	1.3
97.02946	1.4
99.00878	3.9
99.04512	0.9
101.02432	1.5
102.74763	0.4
106.04214	0.5
107.05028	4.6
109.02924	1.4
113.02468	1.4
117.01963	0.7
117.03479	0.6
123.04497	0.6
125.02438	2.0
131.03473	1.7
134.03746	9.0
135.04523	100.0
138.42003	0.4
143.03503	4.8
150.03214	0.9
151.03975	0.7
161.04559	12.6
179.03529	11.5
179.05623	46.6
180.28674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
54.34825	0.5
59.00884	0.5
59.01381	18.7
62.98761	0.6
71.01377	8.2
71.05022	2.9
72.99300	8.8
73.02931	6.3
74.45152	0.5
75.00868	100.0
76.28902	0.5
80.96515	1.2
81.03452	5.8
84.02248	0.6
85.02961	5.5
87.00873	8.1
89.02431	11.0
96.40015	0.5
97.02962	1.3
99.00878	17.0
99.04525	3.3
101.02468	1.0
113.02448	3.0
125.02441	2.6
131.03511	3.4
135.04514	12.1
143.03503	15.1
151.96115	0.6
161.04552	16.7
161.05817	1.0
179.05623	91.8
181.04373	0.6
183.99184	0.6
196.40311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0713
Annotation	Massariphenone
Peak:m/z	Relative Intensity
59.01366	0.9
60.30860	0.5
67.69837	0.6
69.08122	0.6
71.01375	1.1
76.49802	0.7
84.90585	0.6
87.00868	1.6
101.86140	0.6
107.05022	3.6
109.02901	0.8
124.39285	0.8
134.03761	5.9
135.04524	57.4
145.02963	1.4
146.03737	100.0
147.04544	3.5
161.04608	2.8
161.06059	19.0
163.04028	1.3
164.01149	4.0
164.04794	69.2
174.40099	0.7
179.01979	1.2
179.03502	6.0
179.05591	3.0
179.07143	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
50.69804	0.1
52.83151	0.2
56.55756	0.2
57.40550	0.2
59.01141	0.4
59.01461	1.9
60.27803	0.1
66.53098	0.2
71.01124	0.2
71.01465	0.9
75.00909	0.3
78.48866	0.2
85.03014	0.2
87.00862	2.1
89.02514	0.8
96.96049	0.3
99.00936	0.4
101.02486	0.3
101.42696	0.2
113.02509	0.2
117.01977	0.4
121.03008	0.7
135.04536	1.4
136.05304	3.7
141.02013	0.2
145.02972	0.2
146.02780	0.2
146.03746	2.1
149.02461	0.4
151.04010	0.7
151.91151	0.2
159.02904	0.2
161.04590	1.3
161.05949	0.3
164.04797	100.0
179.03661	1.6
179.05614	2.2
179.07124	16.1
191.60606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0302
Annotation	2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
59.33286	0.2
62.84843	0.2
66.03492	1.3
69.12643	0.2
71.16965	0.2
72.89851	0.3
75.00864	0.6
81.03474	0.3
94.02968	2.2
100.23002	0.3
106.02912	0.3
108.02175	1.1
108.04564	0.6
109.02946	100.0
109.04012	6.5
136.03963	0.5
136.04875	1.8
136.07703	0.3
137.02446	12.0
150.01964	2.0
152.03545	0.3
165.05190	0.4
180.03026	35.8
180.06165	1.2
191.35657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0429
Annotation	Phosphinothricin
Peak:m/z	Relative Intensity
53.85320	0.4
59.01398	0.5
63.56828	0.4
66.03488	0.5
66.35059	0.4
92.05843	0.5
94.02966	9.3
107.03771	0.8
108.04544	4.5
109.99716	0.5
112.93255	0.5
123.00845	3.6
124.01669	4.0
136.03960	0.6
136.04907	1.2
136.07680	3.3
139.00340	0.7
151.00407	3.5
151.04091	0.5
152.04779	9.4
179.03496	0.9
180.04291	100.0
187.68149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0665
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
58.95465	0.1
59.01377	0.2
71.36388	0.1
75.54530	0.2
79.06454	0.1
92.23145	0.2
94.02981	0.6
107.03741	0.2
108.08186	4.4
109.31691	0.1
121.05329	9.4
135.03230	0.2
136.04114	2.4
136.07678	100.0
152.03462	0.5
153.04312	1.3
154.99338	0.2
180.06691	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03490	4.5
82.86034	0.1
85.61948	0.1
94.02982	100.0
96.79061	0.1
109.02933	0.2
136.07687	0.2
137.02475	1.4
142.22772	0.2
152.03487	0.2
165.01915	4.2
165.05095	0.2
180.02927	0.3
180.04333	0.6
180.06673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
54.45362	0.8
60.34512	0.9
71.66818	0.8
72.00906	29.1
72.63859	1.0
74.02463	4.8
75.00863	1.2
80.03376	0.9
87.88925	1.4
89.51163	1.0
93.03448	20.4
106.04230	1.2
116.49749	1.1
119.05024	58.4
134.06102	1.1
136.07729	2.3
163.04012	95.2
173.52209	1.4
180.04211	2.6
180.06682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45176	0.1
57.97566	0.2
59.01356	0.1
65.71509	0.1
69.92616	0.2
70.83676	0.1
72.99294	0.1
79.95758	0.7
81.03468	0.8
93.03435	1.4
96.95985	0.4
101.02456	0.2
108.02172	1.0
109.02959	2.9
110.02511	0.2
111.84422	0.2
116.93437	0.2
119.01372	0.2
121.02933	0.2
121.26089	0.1
135.04558	0.3
136.01672	2.3
137.02448	100.0
145.35152	0.2
149.02446	0.7
151.00439	1.6
153.01974	0.7
159.53969	0.2
162.89548	0.1
163.04034	0.3
166.02710	3.3
170.53181	0.1
179.78870	0.1
180.87791	0.3
181.01448	13.8
181.04883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
50.36537	0.1
57.97554	1.1
59.01377	0.2
60.13369	0.1
72.65639	0.1
72.99284	0.2
81.03460	1.0
89.02433	0.3
89.28987	0.1
92.22452	0.2
92.98390	0.2
93.03452	0.9
95.05022	0.1
101.02425	0.2
108.02160	1.1
109.02930	3.1
114.93646	0.1
116.93426	1.0
119.01355	0.2
121.02959	0.2
123.00856	0.2
125.02411	0.2
135.04541	0.3
136.01659	2.9
137.02443	100.0
137.09743	0.2
149.02431	0.8
149.06073	0.7
151.00354	3.1
153.00160	0.3
153.01949	0.6
163.04004	0.6
166.01213	0.1
166.02702	5.6
180.87819	1.7
181.01437	13.8
181.05017	2.8
181.06755	0.2
181.08685	0.9
182.25261	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0144
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
59.01387	0.5
61.24435	0.3
67.01910	0.3
79.95750	0.6
80.96516	0.4
93.03452	100.0
95.01389	0.4
101.02496	0.4
107.01389	0.6
108.02185	3.6
108.99686	0.3
109.02962	4.5
109.06596	5.1
111.00845	0.4
113.86842	0.3
119.05053	0.4
123.00854	0.4
123.04504	0.8
135.04535	1.4
137.02448	86.9
137.09724	0.4
138.93700	0.4
151.00360	10.4
163.04033	0.5
166.02708	20.1
166.56653	0.3
178.99883	0.4
181.01447	21.1
181.05043	7.0
181.07155	0.4
181.08708	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	3,5-Dihydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
57.52486	0.3
59.01382	0.5
63.26119	0.3
65.03965	6.8
65.04287	0.4
67.01888	2.1
69.03462	1.2
71.01373	0.6
76.60623	0.3
80.08486	0.3
81.03457	13.3
81.68067	0.3
82.27345	0.3
84.09404	0.3
89.02437	0.4
89.18297	0.3
89.52332	0.3
91.01893	1.6
93.03455	11.4
93.07106	0.4
97.02934	0.6
101.02429	1.1
105.12579	0.3
107.01372	0.5
108.01427	0.7
108.02169	23.4
109.02946	63.8
123.00880	0.5
123.04489	0.4
125.02460	0.7
135.00887	2.4
136.01790	0.4
137.02446	56.5
151.00365	9.8
153.00136	0.4
153.01926	3.1
163.03998	0.7
166.02711	19.5
166.04124	0.6
181.01439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0255
Annotation	2,6-Dinitrotoluene
Peak:m/z	Relative Intensity
58.12400	0.4
63.86057	0.4
66.03484	34.9
66.03803	1.7
75.91827	0.4
89.02408	0.5
91.02976	0.7
94.02927	0.7
101.02450	0.6
109.02922	1.1
109.04073	7.0
110.02470	46.9
115.66868	0.4
123.04491	0.6
135.04558	0.9
137.02516	0.7
137.03525	4.4
137.06059	2.4
137.07008	0.6
138.01988	11.5
150.02802	0.5
151.00372	10.0
163.03993	0.9
163.05122	5.8
163.99873	5.9
166.02708	100.0
181.02571	93.2
181.04965	20.2
181.06633	1.0
181.08623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0254
Annotation	2,6-Dinitrotoluene
Peak:m/z	Relative Intensity
50.60855	0.6
53.50557	0.6
55.45210	0.6
59.01401	0.9
63.65099	0.6
65.81783	0.7
66.03485	36.8
81.03466	1.7
89.02463	1.0
93.03463	3.0
108.02197	4.2
109.02934	11.6
109.04060	7.4
110.02468	53.8
119.04984	0.9
123.13058	0.8
135.04576	1.3
137.02449	13.8
137.03517	2.3
138.01976	12.3
151.00348	10.9
163.00362	1.0
163.04051	1.2
163.99899	6.1
166.02707	24.1
181.01405	12.8
181.02641	100.0
181.05148	6.7
198.01566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
64.94220	0.4
65.03978	0.6
66.01146	0.5
66.03487	40.7
66.26250	0.5
67.01910	0.7
69.03468	0.9
71.01385	0.8
81.03449	2.4
82.02962	0.6
89.02451	0.8
91.01876	0.8
91.03010	0.6
93.03457	3.4
94.02974	1.0
95.01385	1.2
97.02944	0.9
108.02171	33.3
109.02951	29.7
109.04062	9.5
109.84657	0.5
110.02471	58.4
123.00857	2.1
123.04527	0.8
125.02428	2.4
128.16139	0.5
131.21306	0.5
135.00899	2.3
137.02444	9.6
137.03552	3.3
137.06104	0.7
138.01978	13.3
151.00371	18.0
152.01140	1.2
153.00139	2.2
153.01927	2.1
163.00291	0.7
163.99878	6.5
166.02707	37.9
181.01378	24.8
181.02571	100.0
181.04860	10.4
181.08685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03487	33.1
82.02985	0.8
92.22948	0.9
101.54987	0.8
109.02960	2.7
109.04095	6.5
110.02473	47.9
110.03227	1.7
121.02964	4.2
137.02452	4.9
137.03575	4.1
138.01979	10.5
139.04080	0.7
149.02422	15.8
151.00394	5.0
163.04100	1.2
163.99965	6.8
166.01598	1.3
166.02765	11.1
181.02571	100.0
181.04910	7.9
181.09883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
72.99303	24.5
93.03467	1.1
107.05039	2.7
117.03410	0.6
119.05022	47.9
121.02990	0.6
125.18853	0.5
133.46996	0.5
134.03746	4.3
135.04529	78.6
141.90794	0.5
163.04015	100.0
166.02617	0.6
181.05075	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
51.38521	1.0
64.89556	1.1
67.01891	8.7
68.43311	1.0
71.97438	1.3
81.03481	1.8
83.01402	1.6
93.03439	3.1
95.01383	5.8
107.01416	2.6
107.05003	2.2
109.02926	1.3
111.00854	11.1
122.03735	12.1
123.04516	100.0
125.02470	1.4
137.02444	36.8
137.03497	1.6
137.06081	21.0
138.03229	3.1
143.02638	1.3
151.00343	12.8
166.02681	26.3
181.01431	2.4
181.05080	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
54.62287	0.1
62.81205	0.2
67.01875	0.3
67.94390	0.2
69.29578	0.1
80.23180	0.2
95.01405	0.3
103.72657	0.2
104.38961	0.2
123.00879	3.1
130.14478	0.2
137.02443	0.3
151.00369	52.7
151.80733	0.2
154.61613	0.2
165.01952	1.3
166.02715	100.0
181.05083	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
72.98888	0.8
72.99303	23.9
74.52398	0.5
93.03432	2.4
107.05048	3.1
108.04546	1.4
109.02920	0.8
109.04863	5.3
119.05015	52.9
123.04549	0.6
126.48335	0.6
134.03728	3.2
135.04524	86.0
137.02425	2.6
140.79535	0.6
151.00351	6.5
153.03876	3.8
163.04012	100.0
166.02698	11.8
181.01630	2.7
181.05066	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
56.40466	1.1
58.60772	0.7
67.01880	6.2
68.21886	0.9
73.41386	0.8
79.00135	1.1
83.14720	0.9
84.43434	0.8
84.88966	0.9
89.21230	0.9
93.03453	2.2
95.01402	1.6
107.01371	5.2
107.05012	5.0
109.02961	1.3
111.00870	11.3
122.03735	15.8
123.00912	2.3
123.04517	100.0
125.02459	1.7
137.05077	1.6
137.06073	26.4
138.03229	5.4
151.00391	1.8
158.52591	1.1
166.02704	11.6
181.05074	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54861	0.2
52.42302	0.2
62.31801	0.2
71.01365	0.2
72.62828	0.2
72.99305	25.4
89.02425	0.3
93.03452	1.5
101.02444	0.3
106.04253	0.4
107.05025	2.6
109.02956	0.2
119.05020	53.7
121.02914	0.8
134.03748	4.2
135.04529	82.1
137.02419	0.3
149.02420	0.4
151.00391	3.3
163.04016	100.0
165.01881	0.3
166.02713	7.8
179.03441	0.3
181.05078	65.3
190.76248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
51.38644	0.7
61.12689	0.6
68.55290	0.6
72.90952	0.7
72.99301	27.0
78.61900	0.7
107.05008	1.1
112.40874	0.8
114.16773	0.7
119.05016	51.3
134.03735	3.1
135.04521	86.4
151.00435	1.3
163.04007	100.0
166.02661	3.2
181.05072	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
52.10595	1.0
59.01370	1.7
59.91290	1.3
62.90082	1.0
66.39410	1.1
68.30915	1.0
71.01365	1.6
72.99300	15.9
89.02435	1.2
91.68863	1.1
93.03426	2.3
101.02415	1.5
107.05000	2.3
109.02970	15.5
110.02460	1.3
119.05017	48.4
122.03738	9.3
123.04522	1.6
135.04526	83.0
137.02435	12.3
137.03369	1.6
137.05103	2.8
137.06088	31.5
137.07158	3.9
138.03250	1.5
145.34328	1.1
151.00372	28.3
151.03983	1.7
163.04010	100.0
166.02711	84.0
181.01440	1.9
181.05057	90.5
181.08588	1.9
184.65926	1.2
200.46700	1.1
202.21101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.31616	1.0
54.03130	0.8
59.01384	8.6
65.70420	1.1
71.01359	1.1
84.28912	1.1
108.57381	1.1
151.00383	14.2
163.10117	1.1
163.11255	9.9
166.02705	25.3
181.05104	6.6
181.12350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.70768	0.2
57.97568	0.3
59.01379	1.1
59.98574	0.2
71.01376	1.2
89.02439	1.2
101.02440	0.7
109.03000	0.9
116.84425	0.3
119.03524	0.3
135.04601	0.6
138.06825	1.5
145.23485	0.3
151.00343	5.5
153.12794	0.6
163.04018	0.4
163.11256	0.3
166.02707	10.6
170.05910	3.3
180.87772	0.4
181.01418	0.3
181.05168	2.9
181.12347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0097
Annotation	Enaminomycin A
Peak:m/z	Relative Intensity
78.58609	0.4
81.02200	0.3
108.02171	20.8
138.01970	100.0
138.09207	0.4
151.00397	0.4
152.00696	1.2
153.25189	0.3
167.03069	2.4
182.00961	24.9
182.05496	0.6
183.24997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0222
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
51.03284	0.3
53.11145	0.3
55.84988	0.3
57.91912	0.4
64.24420	0.4
67.01907	0.7
67.54424	0.4
68.18030	0.4
73.86631	0.5
88.93148	0.5
90.19843	0.4
94.02986	0.7
95.01380	28.6
109.02924	0.8
123.00874	100.0
127.59506	0.4
136.04855	2.1
137.02425	0.5
138.02054	0.5
138.03186	0.5
164.04347	1.9
166.99858	50.4
181.01437	2.3
182.02206	14.9
182.05472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48115	0.6
50.76012	0.7
51.01038	0.7
51.07846	0.6
53.19275	0.7
78.82904	0.8
86.19846	0.8
87.13591	0.7
92.22519	1.2
94.02972	5.4
95.01379	23.1
96.04576	0.9
110.50692	0.9
123.00878	100.0
136.74583	0.8
137.02417	1.0
138.01970	1.4
138.03065	1.0
138.05617	1.1
145.17751	0.7
152.00726	3.9
164.04500	0.8
166.99855	51.6
167.02989	7.6
181.01414	0.9
182.02226	13.0
185.59352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
57.91305	0.2
80.86570	0.2
82.74870	0.2
86.12142	0.2
92.05051	1.4
94.02983	0.6
96.04510	0.3
108.04550	31.8
110.06084	0.4
116.51935	0.2
120.04547	2.9
122.02489	0.3
123.03261	0.4
134.78455	0.2
136.04028	0.5
138.05612	100.0
152.03546	0.4
161.12093	0.2
182.04597	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08670	0.6
55.83597	0.6
65.11476	0.7
79.72977	0.7
97.02985	0.7
108.02186	2.6
108.40031	0.6
109.02917	4.1
114.00970	0.6
119.31935	0.7
125.02410	1.3
137.02449	100.0
138.01979	14.9
138.03203	3.1
151.04021	14.1
152.04765	2.9
154.05936	0.7
182.01003	2.8
182.05865	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0822
Annotation	Levonordefrin
Peak:m/z	Relative Intensity
51.38278	0.3
82.82602	0.3
94.02972	0.5
96.04590	0.5
108.04552	1.7
108.77822	0.3
110.06109	0.5
110.73717	0.4
122.06129	0.4
123.03362	0.3
136.07683	9.9
138.09247	100.0
159.16827	0.4
167.03096	1.5
174.05435	0.4
182.08217	24.2
199.88960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39146	0.3
52.95727	0.3
53.38082	0.3
65.03965	1.0
65.61317	0.3
72.99305	1.8
77.03970	4.4
79.95736	91.0
80.96516	11.9
83.01389	0.5
85.92461	0.4
93.03441	1.6
95.05035	1.1
96.96003	5.6
101.02425	0.9
109.02898	0.7
120.99645	41.2
121.02961	7.2
124.01659	14.9
136.99124	0.8
137.02454	2.4
139.04010	2.4
164.98633	91.1
165.01797	8.5
168.00645	20.9
182.99693	100.0
183.03058	12.6
183.10286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
65.30627	0.3
67.01871	0.3
69.03448	0.5
74.68218	0.3
86.53592	0.3
95.01366	3.1
108.08699	0.4
109.01677	2.1
123.00883	14.0
134.31020	0.3
137.01184	2.8
153.00677	17.4
157.26964	0.3
165.01906	0.4
170.36490	0.3
173.36426	0.3
176.99872	0.3
183.00478	100.0
183.10233	0.4
190.84961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
53.48789	0.1
53.60446	0.1
55.32947	0.1
56.37230	0.1
59.23083	0.1
65.91002	0.2
67.01898	0.4
69.03476	0.2
75.58919	0.2
82.26846	0.2
83.01388	0.2
85.02964	0.2
85.29768	0.2
95.01382	11.4
95.05025	0.2
101.06113	0.2
104.21763	0.2
107.01384	14.5
107.71245	0.2
111.00874	2.1
123.00009	0.4
123.00884	8.9
126.05785	0.2
127.92229	0.2
139.03995	0.2
141.01959	0.3
151.00371	100.0
153.00798	0.3
153.01941	4.9
165.01920	0.3
168.04279	1.8
169.01436	5.0
183.02937	1.6
183.10271	0.8
193.49606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.19091	0.5
59.01368	0.9
69.03453	1.6
69.50348	0.6
72.60421	0.6
75.54472	0.7
83.05042	0.8
109.06568	1.8
112.98529	1.1
121.06510	0.8
126.94465	0.7
127.07599	0.9
137.09723	3.4
139.07654	3.0
139.11287	15.7
151.28526	0.7
155.10796	19.2
165.09193	3.6
169.63351	0.7
176.38353	0.8
183.02979	0.8
183.10271	100.0
183.13780	2.7
201.12755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87315	0.2
53.25011	0.2
57.03450	0.5
67.96181	0.3
69.03461	2.6
83.05009	3.4
85.06583	6.2
95.05044	0.7
97.06585	9.9
109.02982	0.3
111.00874	0.3
111.08186	1.2
121.10146	0.3
123.08144	5.1
137.02396	0.4
137.09712	1.4
139.11293	100.0
155.10789	0.7
165.01955	2.3
165.09184	1.3
168.00696	1.0
183.02945	0.4
183.06671	1.7
183.10271	11.8
183.13866	1.3
201.41212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
56.83464	0.6
69.03465	1.1
71.02530	0.8
74.24707	0.6
74.37891	0.6
83.05064	1.0
84.56187	0.6
86.16412	0.7
109.06597	1.2
111.08167	0.9
127.07634	0.9
133.49303	0.7
137.09706	3.3
139.07642	3.7
139.11275	13.9
155.10788	19.4
165.09262	1.3
178.83224	0.7
183.00447	0.7
183.10269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01360	0.6
64.95007	0.4
69.03453	2.1
83.05022	3.3
85.06581	6.5
95.05016	0.9
97.02944	0.5
97.06580	7.5
111.08141	0.9
121.06603	1.0
123.08160	3.6
137.09741	1.2
139.11293	100.0
152.98254	0.5
155.10802	2.5
156.76384	0.5
162.18788	0.5
165.09238	1.2
168.00658	1.0
169.20071	0.5
183.03098	1.1
183.06686	2.2
183.10272	27.6
183.13857	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
53.65660	0.3
57.13834	0.3
66.27390	0.3
66.93531	0.4
68.95908	0.4
70.79014	0.4
72.94496	0.3
78.56200	0.4
81.60101	0.4
83.05020	1.9
95.05042	0.7
121.10213	1.5
124.01655	1.0
130.03136	0.4
139.00725	0.4
139.07637	2.3
139.11290	28.7
157.12340	6.8
168.00624	0.6
183.10266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.64037	0.5
73.49867	0.5
77.53436	0.6
108.85844	0.7
112.98547	0.7
126.43082	0.6
160.70377	0.6
183.10464	2.0
183.13902	100.0
187.86894	0.7
200.11359	0.7
200.74886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.11524	0.6
55.06977	0.8
57.95412	0.7
61.49304	0.7
66.74917	0.7
68.99595	0.9
77.47661	0.7
80.02927	0.7
106.38155	0.7
112.98560	1.4
139.11302	1.6
163.54959	0.8
165.01889	1.2
168.00589	1.2
183.06714	1.3
183.10342	4.1
183.13901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.06926	0.6
56.10043	0.6
59.01389	0.7
74.74180	0.7
85.38263	0.6
92.40234	0.7
95.09246	0.7
110.58400	0.7
113.40670	0.7
121.06546	0.9
137.02429	0.8
137.54948	0.7
139.11288	7.1
152.98286	1.2
155.10727	2.8
165.01936	1.5
168.00659	1.7
178.88484	0.7
183.06670	1.1
183.10327	15.5
183.13904	100.0
190.74469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.08168	0.6
62.02676	0.6
131.94427	0.7
142.90048	0.7
165.01941	1.1
183.13899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.1
81.22341	3.8
91.17947	3.6
109.20190	3.7
112.21515	3.8
124.04037	7.0
140.02032	44.0
140.07236	4.7
141.99973	26.5
162.34122	3.5
181.91991	4.0
184.01018	100.0
184.06158	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
58.07275	0.7
59.01381	53.2
63.94724	0.7
70.02983	2.1
71.01377	12.0
73.44498	0.7
84.04539	4.3
94.02982	1.8
95.05025	1.4
96.04562	0.9
97.01686	1.1
98.02480	3.9
101.30786	0.8
110.02419	1.0
112.04042	94.8
112.07679	1.4
122.06106	9.6
124.04036	68.0
129.62523	0.9
140.07182	38.8
166.05049	10.6
184.06161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.098
Annotation	4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate
Peak:m/z	Relative Intensity
55.01886	8.9
68.58022	0.7
69.99725	0.7
70.02973	3.1
81.02205	0.9
82.02966	1.8
138.09242	17.9
140.10826	100.0
153.92174	0.7
172.01706	0.7
173.46637	0.8
184.09798	49.7
191.80399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	8.0
56.41498	0.9
57.03447	1.7
60.78572	0.8
70.02972	2.0
76.21625	1.0
78.36805	1.1
79.57069	1.1
81.02178	1.0
82.02988	1.5
82.06610	11.6
84.08211	7.6
84.43320	1.0
111.90527	1.1
113.09724	1.3
138.09227	14.0
140.10820	100.0
145.36938	1.1
184.09781	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0093
Annotation	2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Peak:m/z	Relative Intensity
69.03457	7.9
73.42234	0.3
85.02946	3.0
104.83815	0.3
113.02448	100.0
124.02171	0.3
135.68137	0.3
170.94203	0.4
185.00966	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00159	1.2
57.03429	1.5
58.62420	1.3
67.01884	1.8
69.03452	10.6
70.02977	11.5
71.01396	1.8
72.99303	38.9
79.05530	3.2
81.03452	10.4
83.05025	3.3
95.01369	6.8
95.05008	11.5
96.00922	2.7
97.02943	24.2
97.06582	100.0
98.02424	2.3
99.00903	1.5
99.04517	3.0
108.02165	6.4
109.02917	13.8
111.00878	2.3
111.04520	20.8
113.02419	3.8
113.06105	1.7
123.00892	3.9
123.04513	65.6
123.05419	3.1
125.02456	15.7
128.88467	1.5
139.04001	9.4
141.01967	7.7
141.05595	41.1
141.09206	2.9
149.49461	1.5
153.01945	11.9
167.03487	50.5
167.04808	2.6
177.55434	1.8
185.04573	45.4
185.08180	2.3
185.11839	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0456
Annotation	Erinapyrone C
Peak:m/z	Relative Intensity
54.00159	1.2
57.03429	1.5
58.62420	1.3
67.01884	1.8
69.03452	10.6
70.02977	11.5
71.01396	1.8
72.99303	38.9
79.05530	3.2
81.03452	10.4
83.05025	3.3
95.01369	6.8
95.05008	11.5
96.00922	2.7
97.02943	24.2
97.06582	100.0
98.02424	2.3
99.00903	1.5
99.04517	3.0
108.02165	6.4
109.02917	13.8
111.00878	2.3
111.04520	20.8
113.02419	3.8
113.06105	1.7
123.00892	3.9
123.04513	65.6
123.05419	3.1
125.02456	15.7
128.88467	1.5
139.04001	9.4
141.01967	7.7
141.05595	41.1
141.09206	2.9
149.49461	1.5
153.01945	11.9
167.03487	50.5
167.04808	2.6
177.55434	1.8
185.04573	45.4
185.08180	2.3
185.11839	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03445	1.4
64.93710	0.3
78.95918	1.8
81.80700	0.3
84.52143	0.3
84.96731	0.3
96.96938	3.5
97.06541	0.4
123.08143	0.5
125.02407	0.3
125.09714	2.1
128.06361	0.3
141.09254	2.6
141.12868	4.0
185.11835	100.0
188.37814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.15737	0.4
57.03445	1.0
57.50648	0.5
59.01378	1.0
69.03465	0.6
74.22144	0.5
74.75601	0.7
92.46198	0.6
93.03426	0.9
96.96953	0.9
97.02963	0.6
97.06559	0.6
104.90933	0.6
113.09703	1.1
123.08170	2.1
125.09680	1.2
129.15250	0.5
137.02417	0.7
140.89648	0.9
141.09236	4.4
141.12845	5.8
167.03629	0.6
176.49008	0.7
176.56415	0.6
184.92464	0.6
185.11830	100.0
185.15387	2.6
196.60663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85081	0.4
60.13969	0.3
64.60763	0.4
76.74268	0.3
84.04583	0.4
96.04522	0.7
110.14085	0.3
112.50436	0.4
124.30893	0.4
125.04804	0.4
125.09709	0.9
142.05098	100.0
142.08766	1.8
158.03545	0.6
168.03038	0.7
181.35403	0.4
186.04088	33.9
186.11340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0409
Annotation	2-(Acetamidomethylene)succinate
Peak:m/z	Relative Intensity
51.89188	0.5
53.57702	0.6
55.41547	0.6
56.10603	0.6
59.37200	0.7
67.85221	0.6
76.23167	0.7
91.86275	0.7
92.22533	0.8
96.00930	1.2
109.01667	1.0
110.61236	0.8
111.58885	0.7
114.09200	1.2
125.09720	11.3
132.53178	0.8
141.77812	0.8
142.05098	100.0
142.08722	5.9
168.02994	3.6
186.04080	36.9
186.11337	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26788	0.4
67.42821	0.4
69.03506	0.4
75.00865	0.4
83.51376	0.4
92.22590	0.4
96.04547	0.8
102.05606	0.8
104.56984	0.4
125.09708	2.7
142.05096	100.0
149.42978	0.4
163.33043	0.3
168.03024	1.6
186.04091	37.9
186.07693	0.8
186.11334	3.6
196.59601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0409
Annotation	2-(Acetamidomethylene)succinate
Peak:m/z	Relative Intensity
53.61032	0.3
58.81978	0.3
59.86687	0.3
67.55056	0.2
78.47104	0.3
78.88251	0.3
79.39323	0.3
82.26371	0.3
96.04575	0.6
96.23991	0.3
103.27975	0.3
110.17252	0.3
142.05099	100.0
142.08748	1.2
149.93857	0.3
168.03012	0.5
186.04088	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61032	0.3
58.81978	0.3
59.86687	0.3
67.55056	0.2
78.47104	0.3
78.88251	0.3
79.39323	0.3
82.26371	0.3
96.04575	0.6
96.23991	0.3
103.27975	0.3
110.17252	0.3
142.05099	100.0
142.08748	1.2
149.93857	0.3
168.03012	0.5
186.04088	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0409
Annotation	2-(Acetamidomethylene)succinate
Peak:m/z	Relative Intensity
51.04530	0.7
55.01854	0.8
59.01382	6.0
67.99719	0.8
70.02969	2.2
70.61553	0.8
71.01365	1.1
71.05019	1.3
72.04552	1.6
74.64117	0.8
88.04040	27.8
90.51774	1.0
96.00912	43.9
96.04550	14.6
97.06592	4.5
98.06113	10.0
100.04046	16.0
102.05560	1.0
109.01690	53.6
114.01958	19.8
114.05598	4.6
116.89559	1.1
124.04037	52.7
125.09715	39.9
126.01978	9.6
142.05101	5.4
142.08708	1.4
142.12390	2.2
144.03001	1.4
151.35626	1.0
158.04602	3.6
159.88777	0.9
168.03027	100.0
171.85867	1.0
179.69351	0.9
181.42001	0.9
186.04120	4.8
186.11365	40.2
186.13026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0773
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
50.29546	0.5
84.04550	10.6
86.11209	0.7
125.09721	1.3
130.46794	0.6
140.07141	0.7
142.08727	10.2
168.06696	1.1
186.07730	100.0
186.11311	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1137
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
51.11946	0.5
54.44602	0.5
57.03442	1.1
76.19761	0.6
80.98998	0.6
97.06583	8.0
103.93896	0.6
123.08126	2.8
125.09718	96.1
132.16521	0.7
142.12399	6.9
168.10309	3.1
169.08731	2.7
186.11366	100.0
205.53653	0.6
207.73973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1136
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
57.03445	1.2
65.01450	0.7
74.25391	0.6
76.63403	0.7
81.09846	0.7
97.06594	6.8
104.02028	0.7
120.05697	0.8
121.05201	10.8
123.08144	3.1
125.09715	100.0
132.05666	1.2
142.12370	6.7
144.05649	3.1
145.05211	0.9
145.07704	1.4
152.25343	0.7
159.06744	4.5
168.10312	3.4
169.08751	1.5
170.07166	6.3
186.07800	3.5
186.10120	14.2
186.11597	87.1
191.95464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1136
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
56.19564	0.8
57.03441	1.3
58.02933	0.9
77.69957	0.9
92.06601	0.9
97.06580	5.6
123.08179	3.8
125.09711	100.0
135.66711	0.9
137.59586	1.1
142.08754	1.4
142.12354	8.8
168.10284	4.0
186.11357	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18772	0.2
58.02977	1.8
59.01383	1.2
67.62810	0.2
68.05049	2.4
70.06641	0.2
111.75082	0.2
114.09238	100.0
116.03965	0.2
125.09711	1.5
130.08733	9.2
142.08701	0.2
142.12401	0.8
144.10303	34.1
145.86505	0.2
146.84056	0.2
155.81145	0.2
179.12363	0.2
186.05586	0.3
186.07774	0.2
186.11359	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1137
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
57.03445	1.2
58.03003	0.7
61.51764	0.6
73.32626	0.7
84.00822	0.7
97.06573	6.7
123.08150	4.1
125.09715	96.0
126.09572	0.7
142.12370	8.4
168.10289	3.4
169.08684	3.0
186.11359	100.0
202.05037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37004	0.4
51.28236	0.4
51.53083	0.4
57.03439	0.6
57.74346	0.5
59.01383	44.5
63.30632	0.4
83.01418	0.5
90.97150	0.6
97.06594	3.0
111.08163	0.5
114.89879	0.5
115.02490	1.2
117.00428	6.5
125.09712	31.0
128.27505	0.6
142.89365	2.4
143.02016	3.5
143.10759	0.5
144.99942	1.1
159.01494	100.0
166.02942	0.5
168.99966	0.7
169.08696	1.2
182.07652	0.5
186.50978	0.5
186.95650	0.7
187.00986	10.4
187.02495	0.8
187.09778	20.8
187.13425	3.1
198.41241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
59.01380	0.7
66.88006	0.3
67.01894	0.6
71.05024	0.4
79.42669	0.4
79.43900	0.3
81.03442	3.2
84.63586	0.4
86.24491	0.4
97.02924	0.5
97.06596	0.7
99.04512	46.3
111.00885	1.9
115.03999	10.0
125.02435	100.0
125.06056	1.6
125.09725	4.8
129.56944	0.4
132.86635	0.4
135.81731	0.3
143.03505	12.5
143.07147	1.7
145.34132	0.4
161.74005	0.4
169.05040	0.6
187.02521	16.7
187.04158	0.9
187.06122	2.5
187.09767	2.9
187.11212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
51.61402	0.2
57.03424	0.2
57.32786	0.2
58.00600	0.9
59.01379	0.5
67.01531	0.4
67.01891	10.4
67.59614	0.2
68.67528	0.2
68.73096	0.2
71.01356	0.3
71.05027	0.4
73.02943	15.7
73.03358	0.5
81.03466	1.6
83.01392	1.4
83.04993	0.3
85.02927	1.0
92.22544	0.2
97.02966	0.3
97.06586	1.6
99.04510	9.1
106.08452	0.2
109.06953	0.2
111.00873	100.0
115.03989	1.5
125.02380	0.5
125.06091	0.6
125.09723	5.5
143.03497	14.8
143.07123	2.8
147.44971	0.3
154.99834	0.5
187.02509	1.0
187.06152	1.4
187.09694	2.8
187.13383	0.3
193.85669	0.3
201.31088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58903	0.3
57.72554	0.2
63.43418	0.3
67.01866	0.4
71.05014	0.7
72.99332	0.3
81.03448	4.0
97.06564	0.4
99.04509	46.6
115.03989	9.4
121.12917	0.3
123.08185	0.4
125.02431	100.0
125.09708	5.4
143.03490	12.1
143.07123	0.4
159.04518	0.4
187.02490	16.6
187.04155	0.7
187.06140	0.5
187.09753	4.2
187.13481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
58.00607	0.8
59.01392	0.5
65.09483	0.4
65.91881	0.4
67.01894	9.4
73.02940	17.4
83.01385	0.7
99.00872	0.4
99.04517	8.7
111.00873	100.0
115.03990	1.8
125.09727	3.7
126.10037	4.1
141.09233	0.8
141.71111	0.5
143.03505	15.1
143.07138	0.6
154.99889	0.6
187.02573	0.9
187.05121	10.6
187.09772	6.1
187.11671	4.8
198.50063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21136	0.3
58.00598	0.9
59.01381	0.6
65.69543	0.3
67.01895	9.5
69.75916	0.3
71.05023	0.4
73.02942	15.9
81.03454	1.6
83.01367	0.6
85.02955	0.5
85.06575	0.5
91.01068	0.4
99.04522	8.6
111.00877	100.0
115.03997	0.9
123.08156	0.6
125.09712	7.2
141.09221	2.4
143.03506	13.0
147.83307	0.5
164.11075	0.4
187.02521	0.6
187.09792	9.4
187.11502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.025
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.53312	0.4
62.56686	0.4
67.01877	0.5
68.85091	0.4
70.39523	0.4
71.05019	0.4
80.81339	0.4
81.03475	3.0
84.33229	0.4
86.29964	0.4
99.04014	0.9
99.04517	44.3
115.04008	9.2
125.02442	100.0
125.09708	6.9
143.03510	11.5
158.78662	0.6
170.17326	0.4
187.02521	14.7
187.06166	0.5
187.09767	2.9
204.55371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0514
Annotation	Caulibugulone A
Peak:m/z	Relative Intensity
51.79253	0.2
60.25709	0.2
61.43853	0.2
69.29995	0.2
72.99307	0.5
96.10497	0.2
97.06521	0.3
116.05052	100.0
125.09719	3.5
143.09058	0.3
144.04558	6.2
187.05142	31.3
187.09726	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.56635	0.5
51.65599	0.5
54.19695	0.5
55.01852	0.6
56.87352	0.6
57.03440	1.3
59.01103	0.9
59.01381	20.0
69.03454	0.6
71.05020	4.9
71.33218	0.5
72.99300	13.1
83.05002	1.4
88.38660	0.7
97.06583	6.5
99.08138	6.0
109.20539	0.6
123.08187	4.5
123.28099	0.7
125.09712	100.0
127.07629	5.0
143.10773	1.3
144.04579	2.6
145.08702	28.2
159.04507	0.7
169.08707	37.9
187.03992	0.8
187.09767	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03447	2.3
57.54804	0.2
97.06580	8.5
116.18694	0.2
123.08159	3.3
125.09715	100.0
143.10770	2.5
146.37683	0.2
169.08694	3.8
187.09772	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.19022	0.3
50.42059	0.3
55.01888	0.5
58.65964	0.4
59.01400	0.4
62.95329	0.4
62.96377	0.3
63.40679	0.4
75.20268	0.5
97.06593	2.3
101.97369	0.5
107.43419	0.4
123.08164	0.8
125.08830	0.9
125.09718	24.0
139.11296	2.8
141.12862	100.0
153.71671	0.5
169.08798	0.7
169.12363	2.7
185.11896	1.7
187.09811	14.5
187.13406	88.1
194.64264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.134
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
55.85028	0.3
57.03456	0.4
94.27997	0.3
97.06580	0.3
125.09711	12.0
141.12857	6.1
169.08661	0.6
169.12335	2.5
172.05304	0.7
175.08749	0.4
187.09908	5.5
187.13406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
51.93620	0.4
58.42350	0.4
58.97226	0.4
59.01384	100.0
65.35409	0.4
67.17077	0.5
81.40494	0.4
87.20673	0.4
88.54040	0.5
97.06590	2.1
111.57758	0.5
125.02456	0.5
125.09718	32.0
141.12881	0.9
143.10829	0.6
159.01469	0.7
169.08748	1.1
187.04126	0.6
187.09749	17.2
187.13402	22.0
189.92841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00991	0.2
55.23618	0.2
58.99606	0.3
65.59966	0.2
66.47272	0.2
72.97517	0.3
73.01160	1.9
80.65472	0.2
84.34864	0.3
87.00867	2.1
89.00653	0.6
101.00665	51.6
110.78930	0.3
117.00151	1.5
128.03535	0.3
129.97299	3.2
144.04572	0.5
144.10298	2.1
144.99655	100.0
177.54887	0.3
188.00262	1.8
188.05640	0.6
188.09224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	1-Nitronaphthalene-5,6-oxide
Peak:m/z	Relative Intensity
54.96399	0.2
68.92406	0.3
92.22456	0.3
100.46439	0.3
126.09989	1.1
130.04250	0.3
141.86816	1.8
158.03712	5.6
159.87868	0.5
165.59454	0.3
184.18353	0.3
184.87968	0.3
185.13309	0.2
188.03535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
56.11405	0.6
56.33902	0.6
57.03446	1.3
60.31532	0.6
60.93892	0.6
67.89670	0.6
72.04552	2.7
82.02958	0.8
83.01385	7.5
83.03152	0.6
85.02961	0.8
86.02453	1.3
86.06105	4.8
96.04543	4.4
98.02470	66.2
98.06110	1.1
108.04539	1.7
112.04028	5.0
114.05595	73.0
116.07169	15.3
124.04025	12.0
124.96197	0.7
126.05589	14.7
142.05092	100.0
142.08734	1.3
144.06664	47.9
144.07814	1.6
149.48174	0.7
154.71182	0.7
166.12572	1.0
188.05647	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
51.58026	0.9
57.03448	1.3
62.55819	1.1
72.04539	2.4
82.03006	1.1
83.01378	6.2
85.02919	1.1
86.06117	5.3
96.04549	6.4
98.02470	68.2
108.04548	2.0
108.30193	1.1
112.04031	5.9
114.05600	72.5
116.07182	17.3
124.04009	8.7
126.05608	14.7
142.05096	100.0
144.06664	46.0
144.07822	1.5
171.00093	1.2
188.05653	59.8
201.40349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0719
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
53.39108	0.4
58.29506	0.3
96.00916	25.6
97.01691	14.9
102.74916	0.4
119.04507	0.4
125.18319	0.4
126.10027	2.6
140.91876	0.4
145.06593	11.5
146.06136	0.7
146.47739	0.5
168.16411	0.3
170.06076	0.6
188.07188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.093
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
55.90696	0.4
59.01391	0.5
71.01384	2.0
72.00897	2.5
74.02470	7.2
76.27274	0.4
77.64205	0.5
84.20109	0.5
87.46377	0.5
98.02465	0.8
98.09733	2.7
98.63328	0.5
99.38363	0.4
100.04018	0.5
113.06080	5.8
115.07638	10.4
116.07156	8.0
126.09185	0.5
128.54504	0.5
130.08716	3.3
137.63669	0.5
142.05106	1.2
142.08739	7.2
144.06639	2.0
144.10298	100.0
170.08234	2.7
188.05748	1.9
188.09294	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0405
Annotation	4-Hydroxy-2-oxo-heptanedioate
Peak:m/z	Relative Intensity
56.68419	0.4
56.77180	0.4
57.03455	3.5
59.01376	2.1
63.55956	0.4
69.03436	1.0
71.01355	0.4
72.99294	1.1
73.02933	0.6
75.42212	0.4
83.05022	44.0
85.02953	3.0
87.00868	100.0
95.88626	0.5
98.44149	0.5
99.04519	1.8
105.43833	0.5
107.90308	0.5
113.02415	1.0
115.04005	1.0
125.06081	0.6
127.04008	48.2
127.07641	3.0
129.01912	1.8
130.99838	1.1
143.07118	1.9
156.39571	0.4
157.01457	0.7
159.10304	2.1
171.02998	1.9
189.04089	10.7
189.05730	0.9
189.07716	8.8
189.11334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68419	0.4
56.77180	0.4
57.03455	3.5
59.01376	2.1
63.55956	0.4
69.03436	1.0
71.01355	0.4
72.99294	1.1
73.02933	0.6
75.42212	0.4
83.05022	44.0
85.02953	3.0
87.00868	100.0
95.88626	0.5
98.44149	0.5
99.04519	1.8
105.43833	0.5
107.90308	0.5
113.02415	1.0
115.04005	1.0
125.06081	0.6
127.04008	48.2
127.07641	3.0
129.01912	1.8
130.99838	1.1
143.07118	1.9
156.39571	0.4
157.01457	0.7
159.10304	2.1
171.02998	1.9
189.04089	10.7
189.05730	0.9
189.07716	8.8
189.11334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0922
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
92.23067	0.8
134.03732	2.5
145.02960	1.4
146.03735	4.6
159.04535	5.7
171.08128	5.8
173.06076	4.3
174.06853	100.0
189.09224	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34938	0.7
57.12477	0.6
58.00610	0.9
59.01385	100.0
60.52191	0.6
69.95142	0.7
71.05012	1.3
73.02943	2.0
75.17005	0.7
90.18459	0.7
98.04752	0.9
99.08157	18.4
113.09709	1.2
117.03440	0.9
125.09727	1.8
127.07687	1.9
127.11285	15.3
129.09219	39.6
143.10773	21.2
145.02959	3.4
153.09241	1.6
166.81395	0.9
171.10275	17.9
189.02031	1.3
189.05595	1.8
189.11328	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1134
Annotation	CHEBI:79257
Peak:m/z	Relative Intensity
57.51445	0.4
58.00586	1.0
59.01384	100.0
62.33035	0.4
71.05035	0.5
73.02943	0.8
77.77952	0.4
99.08146	13.1
99.08727	0.8
101.38317	0.5
117.03452	0.6
125.09709	2.8
127.07662	3.0
127.11294	9.6
129.09219	38.7
143.10770	3.2
147.54852	0.6
171.10265	8.8
174.03319	0.7
189.11346	19.8
192.66451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87817	1.2
91.01888	26.2
93.03436	5.5
107.05023	2.7
119.01375	68.8
135.04509	3.1
144.51976	1.7
147.00902	22.3
148.44209	1.5
165.01987	12.7
167.65181	1.6
175.00369	100.0
175.32422	1.5
190.02715	25.5
190.05109	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01375	2.6
67.01886	0.7
71.01372	0.6
73.02932	0.6
76.85043	0.4
80.45834	0.4
83.04999	0.5
85.02945	22.7
87.00871	19.9
91.01890	2.1
93.00475	0.4
93.03453	3.4
103.80804	0.4
111.00875	40.4
111.04551	0.8
119.01402	0.7
119.04994	0.5
125.02368	0.4
127.03983	2.5
129.01936	2.1
135.00864	7.1
135.04523	3.0
136.68170	0.4
147.04585	0.4
148.05276	0.5
163.00372	55.2
171.03029	0.4
173.00912	1.6
173.04533	2.1
176.01114	2.1
176.04839	2.4
176.64008	0.5
190.99892	44.2
191.01924	5.9
191.05626	100.0
191.10576	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95613	0.3
57.03452	4.2
59.01393	2.2
60.33834	0.3
63.66594	0.4
67.01892	1.6
73.02959	0.4
85.02949	39.0
87.00871	45.2
93.03432	3.2
103.04044	0.5
111.00878	100.0
111.04496	0.7
127.04003	1.7
129.01945	7.5
130.99834	0.6
147.02954	0.6
154.99911	0.5
171.02914	0.6
173.00916	2.3
173.04529	1.7
176.04814	0.6
191.02032	14.4
191.05630	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.3
59.01387	2.1
64.74921	0.4
67.01888	0.8
72.99299	0.3
73.02949	0.5
75.09369	0.4
85.02943	38.9
87.00864	42.7
93.03429	3.8
101.02428	0.6
101.06082	4.3
109.02943	0.5
111.00872	94.3
111.04533	1.5
115.04014	1.7
119.79967	0.4
127.03992	3.0
129.01927	6.6
129.05566	0.9
130.99846	0.5
143.93962	0.3
147.02991	0.4
154.99821	0.5
159.08011	0.3
173.00891	3.0
173.04553	1.8
185.52702	0.4
191.02020	14.0
191.05623	100.0
210.01218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22047	0.2
55.01887	0.2
56.20928	0.2
57.03442	1.8
59.01383	1.9
67.01888	0.7
69.03465	0.2
71.01360	0.9
72.99301	0.3
73.02935	0.5
79.91814	0.2
81.03432	0.2
83.05013	0.5
84.75465	0.2
85.02942	21.1
87.00864	18.0
87.38482	0.2
93.03452	3.9
96.18476	0.2
101.02442	0.3
109.02974	0.5
111.00872	38.4
111.04487	1.3
111.22214	0.2
117.01910	0.5
118.45370	0.2
119.05032	0.3
127.04019	3.2
129.01920	2.6
130.99832	0.3
147.04486	0.2
154.99879	0.3
159.00615	0.2
160.06290	0.2
171.02997	1.4
173.00935	1.4
173.04547	2.0
176.01112	0.3
183.34050	0.2
191.02094	5.3
191.05621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01385	0.7
67.01897	0.8
71.01387	0.4
73.02948	0.5
85.02947	31.9
87.00869	41.4
92.22459	0.3
93.03452	2.1
101.02415	0.5
111.00877	100.0
117.01917	0.5
127.04016	1.6
128.84703	0.3
128.99010	0.3
129.01057	0.6
129.01935	6.3
130.99837	0.7
142.05069	0.4
147.03064	0.4
147.04524	0.4
154.99921	1.4
173.00941	3.2
173.04558	0.7
176.01132	2.1
176.04778	2.2
184.37315	0.3
191.02003	14.2
191.05629	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.74853	0.3
54.64890	0.3
57.03454	4.4
58.41428	0.4
59.98581	0.3
67.01900	0.9
67.20932	0.4
78.80824	0.4
85.02419	0.7
85.02946	27.8
87.00868	42.9
92.23033	0.5
94.30255	0.5
95.77689	0.4
111.00875	100.0
129.01935	7.1
149.67662	0.4
154.99838	0.8
172.55959	0.4
173.00919	0.8
178.28674	0.4
191.01999	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.8
59.01381	1.6
65.00457	0.3
67.01896	1.4
70.71124	0.3
71.04654	0.3
71.13058	0.3
72.18658	0.3
73.02937	0.5
80.23035	0.3
85.02949	38.7
85.18908	0.4
87.00871	43.1
93.03458	2.9
101.02455	1.4
111.00880	100.0
111.04494	1.5
117.01958	0.5
127.04015	2.0
129.01938	6.7
130.99846	0.6
143.29340	0.4
147.03055	0.5
154.99854	1.4
173.00943	2.5
173.04453	0.5
191.02019	14.0
191.05629	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.13993	0.3
57.03453	4.4
57.29970	0.3
66.37801	0.3
66.77177	0.3
67.01891	1.4
85.02418	0.8
85.02943	27.9
87.00866	44.9
101.02435	0.6
103.04025	0.5
111.00871	100.0
114.59829	0.3
117.33946	0.4
129.01935	6.9
130.99844	0.6
147.02998	0.6
161.24030	0.4
173.00871	1.6
191.01991	14.2
191.05626	2.4
210.33548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03450	5.7
59.01374	0.6
59.55192	0.3
59.86416	0.4
61.87917	0.4
67.01898	0.7
72.33926	0.4
79.07162	0.4
85.02946	33.0
87.00870	45.0
93.03458	0.8
101.02462	0.6
111.00877	100.0
118.99337	0.4
122.95603	0.4
129.01947	7.3
130.99878	0.9
147.02977	0.5
154.99843	0.5
171.22009	0.5
173.00923	2.0
173.04524	0.5
191.02007	14.1
191.05629	31.9
211.07390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.05661	0.2
50.33725	0.3
50.72842	0.3
56.93812	0.2
57.03453	4.3
59.01392	0.3
65.10685	0.3
67.01889	1.6
69.43457	0.3
76.97783	0.3
83.08344	0.3
85.02417	0.6
85.02947	28.5
87.00868	44.1
93.03441	0.4
101.02455	0.5
111.00876	100.0
115.64150	0.3
129.01938	6.1
130.99884	0.5
132.99214	0.4
147.02956	1.1
154.99905	0.4
173.00951	1.7
191.02000	12.8
191.05629	10.3
191.07394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74789	0.3
57.03449	4.7
59.01381	3.1
66.18189	0.3
66.38094	0.3
67.01881	0.9
71.01377	0.8
72.99311	1.9
85.02415	0.8
85.02946	37.3
87.00868	39.0
93.03448	3.2
99.00896	1.4
99.04520	0.3
109.02945	0.6
111.00876	85.9
111.04485	1.5
127.04002	3.5
129.01941	6.9
129.79646	0.4
154.99861	0.5
171.03030	0.8
173.00917	2.5
173.04619	1.9
176.01186	1.3
190.43785	0.4
191.02028	14.2
191.05626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
59.01387	2.1
63.09301	0.3
65.90654	0.3
67.01894	2.4
71.01394	0.8
85.02946	37.6
87.00867	37.4
92.48909	0.4
93.03431	3.6
98.42961	0.3
101.02492	0.4
109.02917	0.5
111.00876	86.9
111.04516	1.3
127.04012	2.9
129.01938	6.7
129.19453	0.4
130.99942	0.4
147.19528	0.3
147.46973	0.3
155.03445	0.4
155.74490	0.3
171.03018	1.4
173.00906	1.4
173.04512	1.7
183.66463	0.4
191.02025	12.0
191.05629	100.0
202.68935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
60.22471	0.2
67.01878	0.2
82.07761	0.2
83.05077	0.2
85.02940	5.2
85.03429	0.3
87.00860	1.4
92.02654	0.8
93.03462	0.5
108.02164	1.6
111.00874	2.0
112.36087	0.2
120.02154	3.0
127.03999	0.5
145.28040	0.2
147.04510	0.3
148.01659	2.6
173.04536	0.5
176.01154	100.0
187.36839	0.2
191.01994	0.6
191.03534	15.8
191.05632	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52801	0.2
52.15171	0.2
57.02061	0.2
59.01366	1.0
60.69264	0.2
67.01894	0.2
71.01380	0.6
84.58060	0.2
85.02946	11.2
85.61349	0.3
87.00861	3.5
93.03448	3.7
95.07749	0.2
99.04533	0.4
109.02948	1.3
111.00866	3.6
111.04514	2.0
116.04807	0.2
121.59528	0.2
126.18855	0.3
127.04005	3.4
129.02046	0.3
131.23686	0.2
145.88353	0.2
148.82542	0.2
171.03012	0.6
173.04582	1.7
179.47812	0.2
191.05624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01369	2.3
61.16396	0.3
67.01875	0.5
67.38494	0.3
71.01389	0.8
73.02953	0.3
76.75176	0.3
85.02950	13.0
87.00872	9.9
88.65719	0.3
90.92750	0.3
93.03452	3.5
109.02952	0.6
111.00875	16.9
111.04500	1.6
111.41643	0.3
112.78223	0.3
127.04039	3.3
129.01918	1.2
171.02962	0.4
173.04529	1.8
176.01080	0.4
191.02153	2.7
191.05632	100.0
209.26106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
59.01382	1.7
60.96717	0.3
71.01366	0.8
80.35448	0.5
85.02947	12.3
87.00890	3.7
93.03454	3.7
109.02946	0.4
111.00874	2.3
111.04507	2.4
127.04009	4.0
168.96135	0.4
170.35452	0.4
171.02997	0.8
173.04556	1.6
191.05634	100.0
211.09955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.13348	0.2
52.78069	0.3
57.03445	0.6
59.01390	2.6
67.01892	0.5
71.01376	0.6
73.52382	0.3
85.02949	16.1
87.00872	8.5
87.85271	0.3
91.95815	0.2
93.03452	3.7
101.02454	0.3
101.59859	0.3
109.02942	0.5
109.92286	0.3
111.00884	17.3
111.04509	1.5
127.04018	3.4
129.01917	1.4
173.00830	0.4
173.04572	1.8
176.01135	1.8
176.04742	0.4
191.02136	2.9
191.05635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
60.18399	0.2
67.01893	0.3
71.01369	0.4
79.24405	0.3
83.05043	0.5
85.02948	12.1
87.00864	2.0
93.03456	3.3
93.41014	0.3
97.17645	0.2
99.04514	0.3
109.02941	1.1
111.04507	1.8
127.04013	3.0
128.12318	0.3
171.03006	0.7
173.04501	2.0
191.05637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11236	0.3
59.01381	1.5
67.01885	0.5
71.01379	0.6
81.03446	0.4
83.05044	0.4
85.02951	11.1
87.00867	2.3
93.03436	2.7
109.02950	0.7
111.00851	0.4
111.04504	1.2
127.04029	2.9
149.26248	0.4
171.03000	0.7
173.04532	2.2
177.87952	0.3
191.05632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.45381	0.2
59.01383	2.3
66.50983	0.2
67.01896	0.4
71.01366	0.5
74.48452	0.3
85.02948	13.0
87.00864	4.2
93.03454	3.6
98.95911	0.3
109.02937	0.6
111.00877	5.4
111.04493	1.4
127.04007	3.4
129.01939	0.3
167.60272	0.3
171.03040	0.6
173.04547	1.8
176.01157	6.5
191.05627	100.0
204.30527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63432	0.3
57.03444	0.3
59.01370	1.2
71.01379	0.6
73.02943	0.4
81.03430	0.3
83.05026	0.3
85.02944	13.0
87.00877	5.6
93.03459	4.3
99.04488	0.5
101.00184	0.3
109.02925	0.7
111.00861	5.9
111.04542	2.0
113.20468	0.3
127.04005	3.9
129.01961	0.5
171.02975	1.2
173.04538	1.7
186.59734	0.3
191.05626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.01928	0.2
57.03452	0.4
59.01381	1.7
65.86235	0.2
67.01900	0.3
71.01382	0.6
74.82987	0.2
83.05009	0.3
85.02946	14.3
87.00867	7.8
87.01398	0.3
93.03440	3.4
95.19044	0.3
99.04516	0.4
104.74454	0.2
109.02955	1.0
111.00877	10.6
111.04512	1.5
127.03978	2.9
129.01942	1.1
135.45712	0.3
171.03008	1.1
173.04546	2.0
191.02139	3.0
191.05632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
71.01365	0.3
71.64796	0.3
84.04362	0.3
85.02944	11.6
87.00866	2.5
93.03456	3.3
99.04489	0.3
101.10824	0.3
109.02947	0.4
111.00862	1.4
111.04498	2.0
127.04003	3.5
134.81136	0.3
158.73396	0.3
171.02971	1.3
173.04535	1.8
191.05623	100.0
192.89236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24286	0.2
55.92161	0.3
57.03445	0.5
57.45822	0.2
58.11057	0.2
59.01384	1.6
71.01375	0.7
73.02946	0.4
80.74325	0.3
85.02942	12.8
87.00873	3.1
92.22571	0.3
93.03439	3.2
100.38913	0.3
109.02955	0.6
111.00862	2.5
111.04485	1.7
119.26849	0.3
127.04004	3.5
133.87018	0.3
134.40414	0.3
150.74141	0.3
155.03506	0.5
171.02965	0.6
173.04526	1.8
176.01117	1.1
191.05627	100.0
211.31790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03443	1.0
59.01384	1.7
62.95703	0.3
67.01891	0.2
71.01385	0.6
73.02926	0.4
83.05042	0.5
85.02947	15.4
87.00866	9.5
93.03444	4.2
99.04559	0.5
109.02924	1.0
111.00882	17.1
111.04515	1.6
127.04015	3.5
129.01970	1.3
171.02997	0.7
173.04530	2.1
191.02144	2.8
191.05634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
56.27853	0.2
57.03453	0.3
59.01377	1.2
67.01911	0.3
71.01378	1.0
73.58807	0.2
76.43960	0.2
85.02948	12.5
87.00867	5.7
91.79466	0.2
93.03447	2.8
100.23255	0.2
109.02905	0.4
111.00880	8.7
111.04514	1.7
127.04026	2.6
171.02948	0.5
173.04533	1.8
191.05632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87723	0.2
51.63667	0.2
53.72899	0.2
59.01380	1.3
64.72410	0.3
67.01878	0.3
71.01370	0.5
72.59528	0.3
73.02939	0.4
82.65968	0.3
85.02940	12.3
86.52594	0.2
87.00867	4.0
93.03446	3.1
94.41101	0.3
109.02969	0.5
111.00877	4.4
111.04499	1.6
127.04028	3.0
171.02959	0.7
173.04570	1.8
191.05626	100.0
197.13895	0.3
200.35268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.84797	0.2
59.01388	1.9
59.32175	0.2
67.01900	0.3
71.01374	0.5
75.02145	0.3
85.02950	14.6
87.00875	9.5
91.07066	0.3
91.85416	0.3
93.03457	3.0
109.02948	1.4
111.00880	15.6
111.04518	2.2
119.36877	0.3
127.04018	3.9
129.01950	0.6
171.02960	0.4
173.04556	1.9
176.01216	0.5
190.85963	0.3
191.02130	3.1
191.05634	100.0
192.68073	0.3
204.13580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0429
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
53.78628	0.4
86.03276	0.6
87.53674	0.5
93.03442	3.7
95.05027	3.3
105.03461	2.2
105.46864	0.5
112.01203	0.7
121.02954	7.2
123.04510	7.8
149.02434	25.7
177.01926	100.0
191.03499	1.2
192.04251	9.1
192.05991	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0431
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
64.83366	0.9
70.02769	1.0
76.52096	0.9
85.02953	1.4
86.03293	1.3
87.00896	1.3
88.01208	1.5
90.68520	1.0
95.45565	1.1
99.40997	0.9
105.03468	15.2
111.00936	1.5
112.01193	7.7
133.02957	100.0
149.02438	5.7
164.04784	8.7
177.01938	28.2
192.02605	3.5
192.04338	72.1
192.06073	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0668
Annotation	3-Methylhippuric acid
Peak:m/z	Relative Intensity
50.35244	1.1
51.86143	1.0
61.39396	1.2
63.79099	1.0
67.64344	1.2
86.03310	1.3
88.01147	1.5
88.44454	1.2
91.05528	100.0
104.87894	1.2
112.01208	2.3
147.04532	32.9
148.07709	10.8
164.07184	1.9
192.01202	3.2
192.06754	80.5
202.43263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0668
Annotation	3-Methylhippuric acid
Peak:m/z	Relative Intensity
55.82914	1.4
64.86021	1.4
73.90661	1.5
80.03783	1.6
86.03278	1.8
89.16914	1.5
91.05526	100.0
91.47176	1.2
129.37802	1.5
135.04517	1.7
147.04514	39.5
147.42899	1.5
148.07697	10.3
164.07115	1.8
171.68254	1.6
192.06737	82.7
209.02344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03144	0.3
65.15415	0.4
65.46294	0.4
70.53309	0.3
76.09537	0.4
85.62728	0.4
89.03963	1.8
109.73749	0.4
109.89899	0.4
117.03461	11.1
134.03741	100.0
135.16103	0.4
136.48317	0.4
145.78246	0.4
149.06073	4.7
178.02756	3.3
193.05060	11.8
202.08479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
56.14176	0.4
69.88326	0.4
97.17456	0.4
110.71233	0.4
111.12557	0.5
117.03468	3.6
121.02978	0.8
133.03012	0.7
134.03748	100.0
137.02431	5.7
139.04019	1.8
149.06079	17.3
150.03265	0.7
178.02725	47.9
193.05072	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60133	0.2
59.01388	0.4
62.19729	0.2
73.02951	0.3
85.02985	0.3
89.92324	0.3
95.86746	0.2
101.02475	0.5
108.02171	1.1
113.01285	0.4
113.89985	0.2
116.90936	0.2
121.02968	0.5
122.03725	0.3
123.00867	0.4
126.47482	0.3
134.03735	3.0
146.05739	0.2
149.02455	1.9
149.06099	0.3
150.03224	3.2
161.02458	0.5
161.04521	0.4
177.01923	6.8
178.02721	100.0
193.05061	21.3
193.06781	0.6
213.52495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99374	0.3
76.04366	0.3
86.44737	0.3
111.00877	0.4
121.02958	1.4
133.02960	8.0
134.03740	25.0
137.02457	6.2
139.04019	1.9
149.06064	0.4
161.02446	20.9
178.02724	4.8
193.05072	100.0
202.30093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67382	0.3
76.68474	0.3
89.03960	2.5
92.78175	0.3
106.04214	0.4
108.16866	0.3
117.02844	0.3
117.03457	12.3
134.03745	100.0
149.06070	4.5
158.88440	0.3
166.75677	0.4
178.02702	1.3
183.26689	0.3
183.85321	0.3
193.05032	9.6
197.72739	0.4
200.30484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49174	0.5
55.16080	0.6
55.18297	0.6
58.91782	0.5
59.01384	0.6
62.65406	0.5
66.34085	0.5
73.02946	0.7
83.01447	0.6
85.02916	0.9
87.00877	0.9
88.18668	0.7
89.03957	2.5
99.00830	0.9
101.02441	1.5
117.03452	10.0
134.03740	100.0
137.02441	0.7
149.06085	4.7
150.03157	1.2
161.04570	1.5
167.08118	0.7
178.02716	8.9
193.01303	0.7
193.04976	12.9
193.06691	0.9
193.07339	1.0
210.56805	0.6
211.09702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71778	0.3
71.01414	0.3
71.81889	0.3
73.02959	0.2
85.03004	0.4
92.22552	0.3
95.01338	0.3
99.00895	0.4
101.02469	0.5
107.01419	0.6
108.02184	2.7
113.02448	0.3
119.01357	0.4
123.00889	2.0
123.04523	2.3
125.02464	0.6
133.02975	0.4
134.03741	5.4
135.00909	0.5
136.01672	3.2
149.06114	0.6
150.03238	0.6
151.00374	0.4
161.04526	1.2
161.27997	0.3
178.02715	100.0
193.05054	24.9
193.06761	0.7
208.34558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
58.49003	0.7
59.01381	2.0
71.01392	1.4
71.97482	0.8
73.02947	3.4
73.46413	0.8
81.64017	0.7
83.01398	1.0
83.74760	0.9
85.02959	1.3
85.80780	0.7
87.00871	1.8
97.02927	1.3
99.00877	1.4
99.29163	0.8
101.02415	6.1
113.02461	1.5
117.81113	0.8
121.02950	1.5
125.02465	1.2
133.02962	1.3
134.03737	100.0
137.02438	11.9
139.04034	3.3
142.51393	0.8
149.06075	21.7
150.03273	1.6
159.82123	0.7
161.04576	7.7
178.02715	79.0
193.05067	28.9
193.07146	5.0
193.50131	0.8
196.51985	0.9
210.72758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.19622	0.5
59.01387	0.6
60.83889	0.5
63.99394	0.4
65.64606	0.4
68.66724	0.4
71.01389	0.8
79.74299	0.6
84.78455	0.6
89.03949	0.8
114.92789	0.6
117.03461	5.3
121.02928	0.6
128.21831	0.6
134.03741	100.0
134.20407	0.5
137.02438	3.3
137.46852	0.6
139.03989	0.9
139.49112	0.5
149.06078	10.0
165.00156	0.8
165.05609	0.8
178.02719	26.3
192.99677	3.6
193.05029	19.1
201.61203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50671	0.5
51.22657	0.5
53.03342	0.5
59.01379	2.9
63.43404	0.5
66.73990	0.5
71.01359	2.6
73.02943	3.8
73.69941	0.6
81.03474	0.7
82.82779	0.6
84.78152	0.6
85.02947	2.9
87.00879	3.2
89.03934	1.3
95.01356	0.7
97.02930	1.1
99.00880	4.2
101.02438	6.2
113.02438	0.8
114.01595	0.7
117.03458	8.9
118.98105	0.6
123.00851	0.9
125.02412	1.3
133.02905	3.6
134.03741	100.0
137.02438	4.7
139.04033	0.6
141.01958	1.1
141.03456	0.6
149.06090	3.9
157.50876	0.6
161.02463	8.9
161.04546	7.9
178.02715	55.4
193.05064	70.2
193.07098	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
89.03976	0.9
97.02887	0.5
99.16240	0.5
101.02399	0.9
105.88048	0.6
109.78219	0.5
117.03464	5.4
134.03741	100.0
137.02408	4.6
137.21072	0.5
139.04018	1.0
148.92085	0.5
149.06087	8.7
150.03162	0.5
161.04532	0.8
178.02728	25.0
192.99670	2.1
193.05029	13.9
209.82454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1234
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.38285	0.5
59.01395	4.8
59.01637	0.6
63.38641	0.5
64.48761	0.5
65.65243	0.5
69.03448	0.8
70.80820	0.5
71.01391	4.4
73.02962	4.7
81.07112	0.6
83.01385	1.2
85.02942	5.4
87.00858	4.1
95.01334	0.6
97.02961	1.1
99.00859	4.4
101.02446	9.7
102.53809	0.6
111.00851	0.8
111.40332	0.6
113.02387	1.3
125.02420	2.8
134.03748	16.7
137.02461	1.3
141.01944	1.4
149.06062	4.3
149.13361	4.6
160.86859	0.7
161.04527	9.5
178.02724	14.6
193.04813	5.8
193.07407	8.4
193.12347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0461
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
56.45134	0.1
57.17741	0.1
58.03867	0.1
59.42046	0.1
60.86118	0.1
63.08142	0.1
68.01392	0.1
68.70719	0.1
74.67673	0.1
78.03489	0.1
82.02979	0.7
94.02976	0.4
101.77937	0.1
104.05040	0.1
107.03767	3.1
108.04559	0.2
110.02496	1.1
112.84882	0.1
122.02470	2.0
122.05231	0.2
122.06116	4.7
123.03262	0.9
125.67347	0.1
131.05823	0.1
132.04581	0.1
134.89769	0.1
135.03262	12.3
136.46634	0.1
150.02019	5.5
150.05608	100.0
150.25259	0.1
178.03009	0.1
179.03130	0.7
181.26627	0.1
192.37067	0.1
194.00984	0.1
194.04417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50745	5.2
54.45896	5.1
56.64584	5.7
57.27861	4.8
59.50238	5.6
64.05119	5.5
67.57368	6.3
69.03439	6.4
70.40903	5.6
72.29085	5.7
72.99340	5.3
73.13970	6.1
87.89361	5.9
90.36105	7.7
96.96008	51.3
102.92960	6.6
108.02061	6.5
110.02479	25.0
123.04462	6.8
124.04073	12.7
133.46860	6.9
135.77110	6.2
150.03229	99.7
152.91742	87.6
152.94485	26.6
152.98013	14.2
165.01921	32.4
165.05576	87.4
180.04355	100.0
194.92906	58.9
195.06606	71.9
195.10297	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.44675	0.3
62.87573	0.3
65.63120	0.4
67.01911	0.7
68.65257	0.3
73.71919	0.4
76.29398	0.3
78.08189	0.4
83.01373	1.5
93.03453	0.6
95.01381	1.7
96.95987	0.7
98.93520	0.3
105.03497	0.4
107.01380	0.6
107.05034	1.5
108.02168	20.5
109.02934	0.9
111.00873	5.4
112.51101	0.4
121.02955	1.6
122.03742	2.2
123.00024	0.7
123.00880	16.2
123.04506	2.1
124.01653	16.0
135.00877	2.1
136.01651	10.2
137.02467	4.0
139.00372	0.5
149.02478	0.8
150.03210	3.5
151.04007	1.7
152.01138	2.8
152.91756	1.5
159.97470	0.4
165.01932	7.0
165.05554	2.1
166.02718	1.6
167.03488	7.8
171.61401	0.4
180.04305	13.3
193.01346	0.5
194.92883	0.6
195.03000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
51.79993	0.6
57.03437	4.5
59.01382	16.1
60.04792	0.6
63.82274	0.7
67.72318	0.8
71.01372	7.1
72.99317	3.4
74.32784	0.7
75.00863	80.9
78.95895	4.7
81.94684	0.7
85.02950	7.7
87.00858	12.8
89.02438	10.2
96.96950	17.6
99.00871	20.0
101.02429	3.7
111.00824	1.2
125.75289	0.8
129.01932	38.4
138.24074	0.9
141.01945	1.6
158.92455	1.1
159.02979	9.6
177.04053	9.7
195.05096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.62307	0.3
59.01385	0.5
61.75050	0.3
75.00866	1.4
80.96515	10.1
89.02395	0.3
91.01893	1.5
94.23808	0.4
108.02174	10.7
109.02941	0.6
110.10587	0.3
121.02982	0.6
123.00889	2.5
123.04520	21.7
124.01625	0.6
126.58208	0.3
129.01936	0.8
134.03745	2.8
136.01663	5.7
137.02455	3.2
147.04475	0.3
149.06055	0.6
150.03217	1.6
151.04025	1.8
151.07640	0.7
162.03244	2.5
163.00340	0.4
163.04016	2.1
165.01910	0.8
165.05579	1.6
166.26936	0.3
167.03516	0.8
177.05499	2.8
180.04289	100.0
194.99763	1.5
195.03008	4.8
195.06638	42.1
202.77893	0.4
213.88666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88346	0.2
54.89410	0.3
59.01388	0.4
66.03496	0.6
68.32573	0.2
74.86546	0.2
75.00887	1.6
80.31914	0.3
108.02174	0.6
109.04079	6.0
122.03719	2.7
123.04547	2.5
125.02441	1.7
129.01981	0.4
150.03226	100.0
151.04027	0.6
154.97426	0.3
159.02840	0.3
160.67935	0.3
165.01906	1.5
165.05569	76.5
180.04298	28.0
184.26859	0.3
195.03017	3.7
195.05113	1.2
195.06641	19.2
214.42490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55634	0.5
58.05077	0.6
63.35937	0.6
66.84393	0.5
75.00874	1.4
81.03428	0.8
91.42761	0.7
93.03449	0.7
95.01419	1.1
96.95981	2.6
108.02154	6.5
109.02938	2.8
111.00856	1.3
121.02975	1.5
122.03724	3.2
123.00909	8.4
123.04531	2.7
124.01662	6.0
131.64001	0.7
136.01672	10.0
137.02437	6.6
138.03206	1.0
150.03232	11.7
151.04027	5.1
152.01163	1.3
152.91759	3.2
164.66661	0.7
165.01933	56.4
165.05569	9.5
166.02748	3.1
167.03491	4.2
180.04294	100.0
195.03015	46.8
195.04993	2.6
195.06656	22.4
195.10316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
53.98075	0.2
70.43032	0.2
99.04823	0.2
103.50414	0.2
104.01662	0.2
123.00874	0.5
124.01654	0.7
129.14127	0.2
136.01656	1.3
137.02475	0.2
151.00385	0.2
152.04811	0.9
157.78549	0.2
163.88420	0.2
165.05591	0.2
180.04291	100.0
195.03004	1.3
195.06641	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
58.60715	0.4
72.74334	0.3
75.00874	2.0
83.80989	0.4
86.29755	0.4
95.05051	0.5
106.04284	0.7
107.05016	3.7
108.02154	0.9
109.02945	2.3
121.02957	0.4
121.06612	0.4
122.03724	0.6
123.00892	4.8
123.04482	0.7
124.01653	2.5
126.40625	0.4
129.01924	0.4
133.02942	7.9
134.03712	2.9
135.04530	16.7
136.01637	4.2
137.02486	3.7
138.03215	0.6
138.32834	0.4
139.04028	0.7
149.02440	6.2
149.82877	0.4
150.03229	100.0
151.04001	9.5
162.03249	3.9
163.00317	0.5
164.04855	3.1
165.01888	0.7
165.05574	39.4
167.03482	2.2
169.39671	0.4
177.05542	0.7
180.00815	0.6
180.04317	12.8
193.87994	0.5
195.03029	8.8
195.04967	2.0
195.06645	6.6
202.50586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07571	0.2
55.26469	0.2
66.03487	16.1
71.26311	0.2
73.02930	0.2
75.00863	1.5
85.02962	0.4
85.81542	0.2
91.82551	0.2
106.06612	0.3
109.04068	100.0
110.02509	0.3
123.00877	0.4
123.04517	0.3
124.04037	0.4
129.01941	0.4
149.82405	0.2
150.03238	1.6
151.03963	0.4
151.05051	0.3
152.03542	0.4
165.01906	1.0
165.05568	0.8
167.03485	0.3
180.04279	1.8
195.02780	1.6
195.05037	1.1
195.07935	3.0
195.09537	0.2
195.10280	0.3
202.79781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1028
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
50.97307	1.4
54.06706	1.5
54.16430	1.9
55.01851	1.9
58.63070	1.5
65.01446	2.7
71.64225	1.6
83.05040	4.5
106.04109	14.1
107.05045	3.4
109.02938	3.8
111.04530	13.0
123.04542	2.5
126.03217	4.4
129.04576	2.6
130.09969	2.0
138.03226	12.4
139.03993	2.4
139.11299	91.0
141.02095	2.7
141.04625	2.2
141.31812	2.0
149.09700	4.4
150.03227	3.2
151.07648	8.6
151.11290	29.9
152.04756	22.2
164.90559	1.9
165.05565	2.6
167.03542	2.7
167.10764	67.0
168.03174	12.4
168.05684	7.9
176.89563	2.7
177.09247	3.0
180.04280	7.4
180.07927	17.3
186.36882	2.1
194.90613	7.1
195.02908	2.1
195.05341	2.3
195.06813	43.3
195.10283	100.0
195.13997	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.70392	0.7
59.01376	2.0
150.03241	1.9
176.89561	2.2
177.12862	4.1
180.04320	1.8
194.90527	6.2
195.13913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
50.32763	0.8
59.01390	2.9
70.79915	0.8
71.01376	0.9
73.46272	0.9
109.10579	0.9
145.90446	1.1
150.03255	1.9
151.11270	1.0
157.96138	0.8
162.07141	0.9
165.05595	1.8
176.89590	3.3
177.12842	3.8
180.04193	1.6
194.90599	11.7
195.13922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.85203	2.7
56.59692	2.3
58.43830	2.3
79.02837	2.2
82.88493	2.6
95.57866	2.5
95.71469	2.6
96.96042	4.7
107.68157	2.5
109.04070	2.7
121.02968	3.7
123.00887	4.5
126.66874	3.1
130.41492	2.9
134.03734	3.0
150.03229	39.2
152.91765	16.1
160.84213	3.5
163.04945	2.6
165.01889	11.0
165.05583	34.6
167.03473	6.1
176.89500	3.9
180.04352	41.0
194.90576	14.8
194.92804	2.8
195.02924	5.8
195.06543	18.8
195.10248	11.8
195.13910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.71729	1.1
59.01390	1.5
59.41489	1.1
64.95897	1.1
78.27193	1.2
116.39191	1.4
130.45500	1.2
164.70117	1.3
177.12881	2.0
180.74620	1.2
195.04375	2.3
195.13919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01374	4.6
61.97454	0.7
73.02958	0.8
75.00875	1.4
79.12903	0.8
99.00813	0.8
102.53410	1.0
107.88706	0.9
109.02940	1.0
123.00873	1.0
123.04516	1.0
150.03215	15.2
151.03969	1.2
152.91708	1.8
165.01942	1.5
165.05559	15.1
167.03447	3.2
176.89531	1.8
177.05630	1.2
177.12874	5.7
180.04326	14.9
194.90582	7.3
195.02936	1.6
195.06766	7.7
195.08263	1.2
195.10255	3.9
195.13918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0253
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
55.76718	0.2
60.95003	0.3
66.03493	0.5
67.57336	0.3
74.95534	0.3
75.66473	0.3
80.05059	8.2
80.92091	0.3
81.03447	0.3
83.61196	0.3
84.99136	0.3
94.02980	5.8
96.04549	0.3
108.04549	100.0
110.02450	0.3
122.02476	3.4
124.04052	0.4
133.30453	0.3
136.18126	0.3
152.03528	37.3
196.02473	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0252
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
52.97163	0.1
55.78614	0.1
57.66523	0.1
66.03484	1.3
67.01878	0.2
71.90060	0.2
80.05056	10.5
82.02966	0.4
92.22495	0.2
94.02974	7.3
98.11063	0.2
108.04549	100.0
109.01689	0.3
110.02464	1.0
111.03284	0.2
121.01691	0.2
122.02479	3.6
124.04032	0.3
139.02753	0.3
152.03526	39.9
154.00928	0.3
166.01312	0.2
169.84985	0.2
178.05196	0.2
181.03703	0.3
196.02420	2.7
196.06058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0253
Annotation	TRIBOA
Peak:m/z	Relative Intensity
56.67184	0.2
57.60261	0.2
75.67409	0.2
79.01901	1.0
81.80609	0.2
84.98656	0.3
87.07731	0.2
92.23932	0.3
97.02966	0.3
107.01408	1.6
109.02959	2.5
125.02461	2.4
135.00874	12.3
135.06442	0.3
150.06262	0.3
151.03583	0.3
153.00716	1.5
153.01917	10.1
166.05899	0.6
181.00175	100.0
196.02521	33.6
197.69405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59201	0.2
60.62748	0.2
66.03482	1.2
67.70203	0.2
80.05062	9.0
81.03492	0.3
82.02997	0.3
94.02975	5.7
108.04556	100.0
110.02468	0.3
122.02505	2.4
151.32896	0.2
152.03539	36.4
176.65134	0.2
189.65244	0.2
196.02490	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0617
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
55.58965	0.2
66.03497	1.8
69.98133	0.3
92.91471	0.3
94.02981	100.0
96.00920	1.4
108.04539	0.5
109.01693	11.7
110.02504	0.5
110.97890	0.4
122.06118	33.9
124.04043	6.7
134.06123	0.4
138.99927	0.3
140.92857	0.3
146.63002	0.3
151.03633	0.7
152.07156	2.1
166.05040	5.1
181.04597	0.4
185.00172	0.3
196.06151	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0616
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
54.14669	0.2
56.55818	0.2
58.80037	0.2
60.33625	0.2
66.03487	4.0
75.00870	0.3
79.95729	0.5
82.03008	0.3
83.24703	0.3
94.02977	100.0
108.04546	1.8
108.90096	0.2
110.02470	4.5
114.32681	0.3
116.05054	0.5
122.06116	31.1
124.04032	7.0
134.06113	3.3
136.04045	0.4
138.03191	0.4
142.61873	0.2
152.03557	1.7
152.07153	1.5
166.01379	0.5
166.02744	5.7
166.05052	7.5
181.00117	0.5
181.01543	0.3
196.03755	1.5
196.06186	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0981
Annotation	3,4-Dimethoxy-5-hydroxy-beta-phenethylamine
Peak:m/z	Relative Intensity
59.76080	0.6
66.43640	0.6
80.05056	0.8
80.13092	0.7
85.02980	1.1
91.75598	0.7
95.03776	1.2
96.04547	0.7
108.04528	4.5
111.00868	3.2
112.01659	75.9
113.02449	21.3
119.09339	0.7
124.00365	5.2
129.01921	2.6
134.10564	2.9
139.02742	1.7
143.99545	1.1
144.00647	22.6
150.05589	0.7
152.03519	1.3
152.07150	0.8
152.10818	7.9
183.86685	0.7
191.01700	0.7
196.09787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19076	1.2
51.02385	4.8
53.54195	1.2
58.44646	1.1
65.00330	3.2
72.00418	1.2
72.99306	8.7
80.96535	2.2
81.03450	8.2
83.01389	21.9
92.23058	2.0
92.99812	7.1
94.57558	1.3
95.01372	9.4
96.95994	7.0
97.02924	5.8
106.50594	1.5
109.02953	56.7
110.00100	1.9
123.00877	2.7
123.04490	8.9
125.02445	17.4
135.04489	8.9
138.03181	2.6
145.77795	1.3
151.00378	2.6
153.01945	50.8
153.09204	6.5
166.99892	5.1
169.01372	5.8
169.12299	1.7
178.99817	17.6
179.03479	7.6
182.02312	11.2
182.05817	3.3
194.97847	1.4
197.00926	100.0
197.04663	9.9
197.08156	1.7
197.11887	18.8
217.04089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0093
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
53.87917	0.4
54.82018	0.4
57.45575	0.4
61.86312	0.4
63.78028	0.4
78.21554	0.4
79.41333	0.6
80.66407	0.4
86.39099	0.4
91.01893	2.3
108.02193	0.8
109.02948	83.1
124.47491	0.5
124.93147	0.5
134.97815	0.5
139.36035	0.5
153.01933	100.0
166.99825	0.6
182.02209	1.2
197.00928	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79855	0.3
65.03966	1.5
80.05058	0.6
81.03448	0.6
81.05407	1.5
91.01902	2.0
94.02995	0.7
95.03362	0.7
97.03001	0.5
107.96552	0.4
108.02160	0.8
108.04548	9.7
109.02946	90.0
109.04878	23.4
109.06507	0.6
123.00881	1.9
123.04504	1.4
125.02466	1.4
135.04515	0.6
138.03244	6.2
141.04556	0.4
148.32060	0.4
152.03577	1.9
153.01938	100.0
153.03902	8.2
153.05544	2.1
153.09210	1.8
153.70122	0.4
166.99840	2.0
179.03497	0.5
182.02216	16.8
197.00925	33.5
197.04582	7.2
197.08257	0.5
197.11841	1.8
197.57457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57120	0.2
65.00330	0.3
70.72428	0.2
72.99296	1.6
84.45962	0.2
91.01877	1.9
94.54350	0.2
108.02165	1.5
109.02946	87.9
123.00891	2.0
123.04502	0.4
135.04524	1.3
138.03236	1.9
140.58931	0.2
151.32872	0.2
153.01938	100.0
166.99857	2.5
178.99860	0.5
179.03526	1.1
182.02211	7.3
197.00928	29.8
197.04564	2.2
197.11763	0.4
197.51495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0094
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
50.19076	1.2
51.02385	4.8
53.54195	1.2
58.44646	1.1
65.00330	3.2
72.00418	1.2
72.99306	8.7
80.96535	2.2
81.03450	8.2
83.01389	21.9
92.23058	2.0
92.99812	7.1
94.57558	1.3
95.01372	9.4
96.95994	7.0
97.02924	5.8
106.50594	1.5
109.02953	56.7
110.00100	1.9
123.00877	2.7
123.04490	8.9
125.02445	17.4
135.04489	8.9
138.03181	2.6
145.77795	1.3
151.00378	2.6
153.01945	50.8
153.09204	6.5
166.99892	5.1
169.01372	5.8
169.12299	1.7
178.99817	17.6
179.03479	7.6
182.02312	11.2
182.05817	3.3
194.97847	1.4
197.00926	100.0
197.04663	9.9
197.08156	1.7
197.11887	18.8
217.04089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60339	0.6
64.45776	0.8
69.63483	0.8
72.99305	100.0
103.38862	1.0
107.05004	1.4
109.02921	2.9
112.09567	0.7
120.79711	0.9
123.04520	69.9
134.03732	4.8
135.04529	98.2
151.04012	3.0
179.03510	56.5
197.04524	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40082	0.8
72.99303	92.3
92.16973	0.9
92.22476	1.0
93.03510	1.0
107.05016	1.6
109.02935	4.2
122.03708	4.1
123.04517	71.9
134.03745	3.8
135.04523	100.0
137.02484	1.3
151.03995	1.7
158.46014	0.9
165.01933	22.1
166.99841	1.4
179.03503	64.5
182.02249	4.4
182.05859	5.9
193.73201	1.0
197.04558	20.8
201.73090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
58.19556	0.3
71.84748	0.3
72.99316	1.9
73.98331	0.3
79.94232	0.3
95.01383	3.0
123.00880	24.2
123.04519	1.9
135.04549	2.1
138.03232	15.5
153.01974	0.7
153.05615	4.6
153.09198	0.3
166.99860	38.3
179.03519	1.4
181.01357	1.1
182.02225	100.0
187.77122	0.3
197.04572	23.9
197.11856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93238	0.4
53.51046	0.5
59.60826	0.4
67.09529	0.5
72.99306	100.0
80.61971	0.5
95.05032	0.8
107.05026	2.4
108.02231	0.7
109.02943	3.0
109.63505	0.6
120.78706	0.5
122.03756	0.7
123.04517	74.0
125.54307	0.6
134.03745	3.1
135.04527	98.3
151.03992	3.8
166.99905	0.6
179.03502	55.9
182.02132	4.0
197.04555	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
50.20431	0.4
52.24739	0.6
58.18061	0.5
66.30152	0.5
72.99303	100.0
82.94131	0.6
91.05471	0.6
107.05032	2.5
109.02927	3.4
111.70271	0.5
113.00713	0.5
113.97794	0.5
115.33534	0.5
121.02987	0.8
123.04511	69.2
123.95718	0.6
126.01954	0.6
134.03760	2.7
134.49405	0.6
135.04521	94.1
151.03986	4.1
179.03502	63.9
197.04527	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	88.8
91.05611	0.7
92.22614	1.0
107.04967	1.1
109.02962	2.7
123.00742	0.6
123.04514	71.3
134.03738	4.9
135.04521	100.0
151.03958	1.6
162.42307	0.7
179.03497	59.5
197.04561	20.1
218.48311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
64.43929	0.6
72.99304	100.0
98.23538	0.7
107.05038	1.1
109.02950	3.4
123.04518	68.7
134.03745	3.9
135.04526	92.9
151.04012	3.8
153.06601	0.7
179.03503	60.4
197.04567	19.8
207.29379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16420	0.4
65.94695	0.6
71.54638	0.4
72.99306	98.0
95.23147	0.6
104.81678	0.6
107.05008	1.5
107.38345	0.5
109.02937	2.9
120.03026	0.5
123.04521	68.5
134.03764	4.8
135.04530	100.0
141.73422	0.6
144.39771	0.6
151.03999	2.5
166.99823	0.9
179.03513	61.1
182.02155	1.3
190.94226	0.6
197.04581	21.9
197.06229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
55.85606	0.7
59.98302	0.6
63.47850	0.7
67.39969	0.7
72.99303	96.4
91.49247	0.6
106.38084	0.7
107.05019	3.1
109.02943	3.5
123.04514	72.5
134.03709	3.7
135.04523	100.0
151.04028	3.6
179.03503	63.9
197.04565	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	90.1
74.35600	0.6
77.02998	0.6
107.04997	1.3
107.21651	0.8
109.02959	3.8
110.23392	0.7
122.03747	0.9
123.04519	68.4
134.03755	3.0
135.04526	100.0
151.04028	3.3
160.17972	0.8
179.03506	58.2
181.27287	0.7
186.94742	0.7
197.04536	19.5
204.44400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14641	0.6
72.99306	100.0
81.53242	0.8
85.12530	0.7
86.77982	0.7
101.59523	1.0
107.04994	1.2
109.02968	4.2
123.04523	69.8
134.03751	1.9
135.04529	97.4
151.04007	4.0
159.44365	0.9
179.03514	63.8
186.85759	0.8
197.04581	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
65.03967	1.9
65.04264	0.2
66.71361	0.2
67.01892	1.2
68.87200	0.2
72.99310	1.9
72.99673	0.2
81.03465	0.9
83.01368	0.3
83.85893	0.2
95.01376	3.9
109.02943	6.5
111.00891	0.4
115.62873	0.2
121.02966	0.3
123.00872	57.9
123.04484	1.8
125.02399	1.7
130.37019	0.3
135.04530	2.4
137.02388	1.0
138.03224	85.5
139.00320	0.3
151.00362	0.5
153.01933	14.1
153.05545	3.0
153.09267	0.5
153.10432	0.2
165.01849	0.3
166.99854	70.9
176.46158	0.2
178.99875	1.3
179.03497	1.0
181.01434	3.4
182.02216	100.0
197.00929	8.7
197.04564	51.3
197.11807	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
58.94751	0.5
59.76730	0.4
69.25356	0.5
71.61463	0.5
72.99304	66.5
89.95443	0.5
95.01408	3.9
97.06538	0.6
107.05027	2.9
109.02948	2.0
121.02953	14.3
123.00880	28.0
123.04519	50.8
125.02469	0.7
134.03766	0.8
135.04527	73.8
137.02425	0.8
138.03224	15.3
151.03979	2.8
153.05579	13.1
164.01132	1.9
165.01933	1.0
166.99855	37.9
179.03506	46.7
181.01474	0.7
182.02222	100.0
182.05627	4.5
197.04561	39.6
197.09692	0.7
197.11900	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
50.86770	0.4
67.01926	0.6
72.99306	6.8
79.01893	0.5
89.00340	0.7
95.01398	3.5
98.10715	0.5
121.02950	24.3
123.00883	22.8
123.04521	5.4
135.04518	7.8
135.08189	0.7
138.03247	14.7
153.05573	16.6
153.09239	0.7
153.12885	0.7
165.17265	0.5
166.99852	37.5
169.06598	0.7
179.03543	4.9
181.01543	0.8
182.02225	100.0
182.77261	0.5
192.85463	0.6
197.04564	27.5
197.11716	3.6
201.08441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	93.0
75.09278	0.9
82.45998	0.8
85.82784	0.9
94.29528	0.8
96.89648	0.8
107.05020	1.1
107.27588	0.8
109.02908	1.7
123.04508	77.5
134.03748	4.1
135.04520	100.0
150.03284	1.0
151.03978	3.7
160.28914	0.9
179.03499	60.0
197.04585	19.2
198.02628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0568
Annotation	surugapyrrole B
Peak:m/z	Relative Intensity
51.23562	0.5
56.33795	0.6
60.99295	1.4
63.07820	0.7
66.03483	1.1
70.02976	42.1
72.99306	48.4
74.06847	0.7
78.95892	5.2
82.02982	59.2
92.37177	0.6
94.02966	3.9
99.05637	3.8
100.46800	0.7
109.02927	2.1
109.03334	0.9
109.04071	22.7
114.01958	19.3
121.02926	1.6
123.04520	39.7
134.03735	10.9
135.04515	49.1
135.05635	21.7
136.01718	2.3
137.02448	23.5
151.03992	5.3
151.05147	3.1
152.04788	7.8
152.41760	0.6
153.06688	31.4
155.68765	0.7
167.04677	0.9
177.89767	0.6
178.88420	3.9
179.00037	0.7
179.01927	1.2
179.03499	30.7
182.02425	6.2
182.05861	100.0
186.31360	0.8
194.18494	0.6
196.89517	16.2
197.02458	1.2
197.05688	45.8
197.08195	31.4
197.09581	0.9
197.11856	3.8
210.01273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	0.6
83.63522	0.3
91.01904	0.2
93.30235	0.2
109.02946	1.9
123.00903	0.3
123.04512	0.5
125.02473	0.5
130.84518	0.3
135.00870	0.4
135.04518	1.1
137.02444	11.0
138.03239	1.0
145.21716	0.2
150.60445	0.2
151.03979	3.2
152.03716	0.5
152.04802	1.0
153.01918	0.5
153.09224	1.2
176.03372	0.3
178.99864	5.1
179.03490	0.2
181.05115	0.3
182.05858	100.0
194.63983	0.2
197.00946	2.6
197.08214	20.8
197.11884	0.5
219.74106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.16419	0.3
53.47324	0.4
59.91493	0.3
92.13532	0.4
93.74886	0.4
97.06578	13.3
99.08157	3.5
122.03733	1.9
126.03209	0.8
137.09743	2.8
151.11269	1.6
153.12852	100.0
174.27058	0.4
179.10771	20.2
197.11833	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.89294	1.6
54.30091	1.7
57.59778	1.8
62.41413	1.6
65.78083	1.5
69.45521	1.5
72.99310	8.3
76.57692	2.0
77.98244	1.9
123.04507	4.3
125.09729	3.5
132.46202	1.8
135.04526	3.8
153.12839	100.0
166.99904	2.6
179.03482	9.7
182.02274	4.2
197.04559	2.5
197.11876	53.6
197.13655	3.4
215.12909	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.7
61.42824	0.7
69.03460	0.6
71.05000	1.7
72.99299	6.5
78.04817	0.7
85.37064	0.7
97.06567	0.8
98.49410	0.7
112.73911	0.7
121.02952	1.2
123.00959	1.8
123.04503	4.0
125.06026	0.7
135.04503	5.1
137.71031	0.7
138.03264	1.2
151.11234	0.8
153.05589	1.0
153.12846	8.3
166.99867	3.9
169.12372	1.7
179.03491	3.5
179.10719	1.6
182.02242	10.6
182.05818	3.8
197.04720	5.3
197.11845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.59041	0.5
51.19872	0.4
57.03446	6.9
58.80841	0.6
63.53868	0.5
66.29369	0.5
71.05013	3.4
83.04996	0.8
94.63145	0.5
96.08288	0.5
105.24617	0.5
123.00853	0.5
123.04512	0.5
125.09682	0.8
137.09711	1.1
139.07639	0.9
153.12859	8.5
166.99826	0.7
179.10765	2.2
182.02188	4.0
197.11838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03450	2.8
82.60915	2.1
135.04539	5.4
138.59299	2.3
142.35089	2.7
151.11185	3.3
153.12854	100.0
182.02248	3.8
183.32957	3.0
197.11841	78.6
215.12875	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17834	0.8
57.03448	0.9
59.46223	0.6
63.04499	0.9
64.16453	0.6
69.03456	1.0
70.00332	0.7
71.05006	1.1
72.83812	0.6
86.95966	0.8
125.09686	1.1
137.09750	1.4
138.03217	1.2
153.09258	1.4
153.12860	8.6
166.99902	1.6
168.16136	0.8
169.12392	1.1
179.10754	1.8
180.74370	0.8
182.02168	5.8
197.04483	1.7
197.11845	100.0
218.90335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1547
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
59.81964	0.4
64.56116	0.4
77.92620	0.6
82.87973	0.4
83.48444	0.5
86.76530	0.4
103.40839	0.4
111.00076	0.5
140.54999	0.5
142.37006	0.5
173.79112	0.5
196.89456	0.5
197.15475	100.0
210.29523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96216	0.5
58.58896	0.4
60.68465	0.5
72.99306	4.3
77.46952	0.5
83.38570	0.4
83.43123	0.5
85.41399	0.5
90.34829	0.5
109.02953	0.8
123.00890	1.2
123.04510	3.3
135.04506	5.8
153.12831	4.9
166.99852	2.6
179.03522	3.0
179.14444	1.0
182.02271	4.7
182.05814	1.1
197.04591	2.3
197.11844	9.8
197.15492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98275	0.4
56.31283	0.4
59.01378	5.1
72.99300	4.7
76.84003	0.4
123.00859	1.0
123.04536	2.1
135.04510	4.2
138.03186	1.1
153.12856	4.9
166.99847	2.0
178.99782	0.6
179.03519	3.8
179.14412	2.7
182.02202	3.4
182.05861	2.0
191.92162	0.5
197.04665	1.8
197.11783	6.8
197.15477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92890	0.3
61.46468	0.3
62.96687	0.4
66.32069	0.3
69.42937	0.3
71.00054	0.3
72.91330	0.3
77.27039	0.4
85.26556	0.5
114.27389	0.3
117.97401	0.4
153.01910	0.8
167.99384	53.5
182.00987	1.3
183.01732	100.0
198.04097	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40376	0.3
59.53270	0.3
62.42051	0.3
65.03167	0.4
66.03471	3.9
72.88213	0.4
72.97340	0.3
110.02510	2.7
111.08139	0.6
114.41356	0.4
126.09237	100.0
128.61591	0.4
154.01468	2.2
154.08769	2.7
155.07129	3.1
198.07677	4.0
198.12209	0.6
209.55496	0.4
219.75992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1501
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
57.41559	1.6
60.03605	1.6
61.98846	2.1
62.97157	1.7
63.57438	1.9
69.89953	1.7
69.92355	1.5
82.06615	3.6
85.10426	2.1
87.04972	1.7
125.76711	1.7
151.43384	1.9
154.13177	20.6
170.15550	26.1
180.06595	2.1
180.11226	3.0
183.01634	6.3
198.12138	10.0
198.15012	100.0
203.38245	2.0
215.89348	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96678	0.5
65.00316	0.5
67.01891	94.4
83.01387	2.7
103.59303	0.6
109.20668	0.6
111.00875	100.0
111.04514	1.3
127.00414	0.7
127.03974	1.3
136.98790	0.6
137.09744	0.6
153.09230	0.8
154.99869	29.2
155.01173	1.0
155.07198	0.7
155.10779	4.0
160.82231	0.6
198.98877	8.4
199.09906	6.1
199.13406	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9887
Annotation	Meconic acid
Peak:m/z	Relative Intensity
58.71470	0.4
63.47329	0.4
65.00330	100.0
80.74338	0.6
83.00301	0.5
83.01382	3.9
88.55295	0.5
108.99326	5.8
111.00888	5.0
116.46949	0.5
123.79137	0.5
130.94862	0.5
136.98813	42.8
137.89130	0.6
154.99864	64.6
198.98926	3.9
210.97739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28948	0.8
58.82697	0.7
59.01378	5.3
67.12783	0.8
81.03461	13.6
83.05017	12.1
93.03465	6.5
97.06501	1.0
109.02953	7.2
110.80955	0.8
111.04509	71.7
127.04008	100.0
131.00339	0.9
137.02461	4.4
138.80951	0.9
155.03500	33.8
166.06940	1.1
199.02556	1.4
199.13326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0249
Annotation	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
Peak:m/z	Relative Intensity
55.06736	0.3
55.79316	0.4
59.01384	6.3
64.05550	0.3
69.77398	0.4
71.01373	4.6
81.02984	0.4
81.03452	10.8
83.05018	8.2
89.94807	0.3
93.03448	5.3
96.99236	0.5
99.00859	0.5
109.02958	5.4
111.04510	68.0
127.04007	100.0
137.02451	7.0
155.03503	42.9
199.02509	4.2
199.06197	0.8
199.09804	0.6
199.13434	6.6
199.17189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0251
Annotation	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
Peak:m/z	Relative Intensity
51.16824	0.5
55.11615	0.5
59.01387	7.9
65.00272	0.4
66.17583	0.5
71.01388	0.7
72.99283	0.5
78.31322	0.5
81.03456	14.1
83.01395	1.1
83.05030	12.5
87.00871	0.5
93.03465	7.7
95.01357	0.6
109.02950	4.5
111.04518	72.8
111.08162	6.5
113.02496	0.9
127.04015	100.0
127.11277	4.7
127.93098	0.7
129.39487	0.6
137.02455	9.2
137.09727	12.1
141.29120	0.6
154.95599	0.6
155.03508	36.7
155.10760	3.8
155.14429	0.8
181.01462	0.8
181.08749	4.6
181.12180	0.6
199.02515	2.5
199.09801	18.0
199.13432	16.8
199.17091	2.3
218.85110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
58.00587	2.7
59.01374	7.7
73.02955	11.6
77.93726	1.4
83.01396	2.3
83.05018	1.6
92.23128	1.9
116.33935	1.7
125.06081	7.2
125.09710	10.1
127.04010	1.8
127.11241	11.5
137.09724	9.3
144.84955	1.5
153.09215	7.6
153.12830	1.9
155.10770	8.1
155.14375	3.0
171.10281	28.0
181.08694	2.8
181.12344	6.2
199.06161	1.9
199.09781	53.2
199.13409	100.0
199.17079	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
56.35645	0.2
61.16008	0.3
62.84318	0.2
73.24924	0.3
75.35877	0.3
77.71584	0.3
86.38951	0.3
86.78591	0.3
111.04529	0.3
118.63843	0.3
127.03941	0.3
133.27586	0.3
136.98892	0.4
137.09724	5.3
155.10780	100.0
199.09773	9.2
199.13405	6.0
199.16994	0.5
219.97998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.72220	0.5
53.48186	0.5
53.63758	0.5
84.73763	0.6
98.25171	0.7
127.11282	2.3
128.44667	0.6
153.12849	0.6
181.12338	2.8
197.11829	1.5
199.13411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.69453	0.4
65.00323	2.3
67.01899	0.5
68.62785	0.4
83.05026	0.5
97.91123	0.5
128.84439	0.5
136.98756	0.8
154.99846	0.7
155.10779	0.8
155.14450	2.0
156.89339	0.6
181.12318	2.0
199.13408	100.0
199.17018	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54417	0.5
61.93609	0.4
64.24477	0.5
94.39047	0.5
123.05365	0.6
153.12856	0.5
155.14304	0.7
156.44920	0.5
181.12344	2.6
199.13416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.74277	0.4
58.85896	0.3
59.67904	0.3
62.17278	0.4
75.79807	0.4
146.00165	0.4
152.52007	0.4
153.12866	0.4
155.14426	0.9
181.12337	2.2
199.13411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1342
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.84311	0.5
55.50424	0.4
57.62297	0.4
66.25235	0.3
66.48095	0.4
118.32714	0.4
163.11295	1.0
169.09616	0.5
169.12357	5.5
181.12364	21.1
197.11858	1.8
199.13420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1706
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
58.68845	0.3
62.34267	0.4
62.34625	0.3
76.31033	0.3
85.92321	0.3
90.60686	0.3
107.52028	0.4
107.52902	0.3
110.90275	0.3
116.06112	0.4
155.03552	0.4
181.16014	0.4
190.61432	0.3
199.13480	4.3
199.17061	100.0
201.39278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02551	0.3
62.11452	0.2
80.01682	0.3
82.02980	1.6
84.04543	2.3
110.02463	0.7
112.04059	0.3
112.69495	0.3
128.03532	100.0
138.05580	1.5
139.71300	0.3
145.18071	0.3
153.48874	0.3
154.05107	0.5
174.10298	0.3
200.05655	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81506	0.4
57.03448	0.7
57.88807	0.5
87.28194	0.5
96.17954	0.5
109.63399	0.5
111.04569	0.7
111.08189	2.2
112.04801	0.7
113.86511	0.5
127.03925	0.5
128.04343	1.1
139.11292	59.8
156.13925	4.2
182.11867	3.4
183.10274	27.8
183.11894	1.1
188.22127	0.5
200.12935	100.0
201.11308	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04275	0.6
57.68192	0.6
57.82553	0.6
66.00664	3.3
84.04529	5.6
85.02949	0.8
94.49789	0.7
94.88519	0.7
97.06579	0.8
100.07664	1.7
102.05608	100.0
114.09241	37.7
119.29296	0.7
137.99176	1.0
154.12361	1.4
156.00192	1.8
156.10303	10.2
156.13934	65.3
172.13260	0.7
172.84790	0.7
175.22142	0.9
182.11859	13.6
200.12938	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63759	0.3
54.15541	0.3
57.11287	0.4
59.01381	100.0
63.06138	0.3
64.07552	0.3
77.63512	0.4
79.33763	0.4
82.64931	0.4
88.90893	0.4
94.72234	0.4
121.09598	0.4
157.03575	9.6
159.01466	3.2
184.51782	0.4
201.02567	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0407
Annotation	Succinylacetoacetate
Peak:m/z	Relative Intensity
54.04704	0.6
57.03455	1.4
58.00596	1.8
59.01385	49.0
60.00589	0.7
68.25581	0.7
71.01386	0.9
71.05009	0.9
72.99311	1.2
73.02934	0.9
76.92878	0.7
85.02956	4.4
85.06560	1.3
92.24998	0.7
95.05022	6.6
97.02934	0.9
97.06618	1.2
99.04526	9.6
111.04535	4.0
111.08105	0.9
113.02451	100.0
113.06072	11.4
115.04003	6.3
120.42523	0.7
124.98811	0.9
125.05987	0.8
125.09753	1.5
127.07668	1.4
129.05585	13.4
139.04030	19.6
139.07643	1.7
139.11322	1.1
143.03508	58.1
157.03566	3.9
157.05057	17.5
157.08733	1.1
159.01515	3.6
175.06058	1.2
194.79179	0.9
201.02524	6.3
201.04089	53.7
201.07747	3.7
201.11351	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Dimethyl suberate
Peak:m/z	Relative Intensity
53.04152	0.4
54.05949	0.4
57.03452	2.8
59.01392	0.5
59.95764	0.4
65.95066	0.4
71.58262	0.4
83.05061	0.6
86.55164	0.5
95.05019	0.6
97.05595	0.5
97.06578	12.3
111.08128	1.0
115.76676	0.5
123.08146	4.8
125.09705	100.0
127.11242	0.7
139.11290	2.7
155.18517	0.5
169.08664	3.1
186.06950	0.8
187.09723	0.9
201.05664	0.6
201.11314	25.5
201.15001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.62740	0.3
58.00592	0.8
58.26799	0.3
59.01373	1.5
73.02962	0.5
74.56911	0.4
112.18306	0.5
114.65435	0.4
125.09691	4.4
127.11281	7.8
137.09683	0.8
137.98853	0.4
139.11284	1.9
147.08182	0.4
155.10783	4.3
157.12401	0.5
165.09172	3.4
171.10271	3.0
183.10214	0.9
185.97255	0.7
199.09799	3.8
201.11337	100.0
223.13475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03433	0.1
59.01389	0.1
66.23145	0.1
73.38401	0.2
84.56709	0.2
111.08150	2.2
112.94773	0.2
125.09702	0.2
127.11240	0.3
137.09718	2.6
137.89294	0.2
139.11275	0.3
141.09238	0.8
155.10785	4.7
196.00424	0.2
201.11345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.45580	0.4
57.03451	3.4
61.88950	0.4
64.60264	0.4
66.79875	0.4
111.08168	4.5
137.09715	1.0
139.11292	100.0
157.12321	2.0
183.10271	55.6
201.11343	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
52.47421	0.6
57.03441	0.8
57.97610	0.9
59.01383	34.0
64.71901	0.8
67.85587	0.7
68.33112	0.7
69.04777	1.1
80.71735	0.8
96.96012	1.2
98.12200	0.8
125.09721	5.4
139.11279	1.5
153.12865	1.5
155.14418	90.3
159.01530	1.6
179.61394	0.8
183.02783	0.8
183.10323	1.4
183.13849	1.7
199.13393	1.3
201.02548	6.6
201.05580	1.1
201.11363	9.5
201.14989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.55155	0.2
51.70337	0.2
53.48501	0.2
53.49567	0.2
53.57631	0.2
56.95737	0.2
57.33777	0.2
60.00082	0.2
60.08802	0.2
71.56577	0.3
86.41230	0.3
91.72217	0.3
116.50474	0.3
124.84235	0.4
144.54283	0.3
151.35550	0.3
155.14398	4.6
160.43158	0.3
166.07001	0.3
183.13890	2.0
185.84335	0.3
201.14980	100.0
221.57710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59191	0.5
61.74917	0.6
64.56274	0.5
71.01386	0.6
72.99277	0.6
73.99654	0.5
74.02470	35.8
75.28489	0.5
77.44086	0.6
81.02189	0.9
82.02968	4.8
84.00908	3.1
84.20105	0.5
86.06105	7.4
96.04545	24.7
98.02469	5.4
110.02478	7.3
112.04034	19.2
114.05591	1.3
127.00375	0.7
140.03531	24.8
152.25572	0.7
156.03030	100.0
158.04579	2.6
184.02516	33.3
197.53003	0.5
202.03595	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
74.02472	37.6
82.02978	6.9
83.01385	0.6
84.00908	2.5
86.06100	6.7
96.04546	22.0
98.02471	3.6
100.53377	0.6
110.02477	7.7
112.04043	22.1
114.05599	0.9
116.07143	0.9
125.20277	0.7
127.66383	0.6
130.08702	0.6
140.03537	21.9
156.03030	100.0
158.04591	3.3
160.42137	0.7
184.00880	1.3
184.02519	31.9
202.03580	7.3
202.05190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01378	2.4
64.06041	0.4
65.86874	0.5
66.73006	0.4
69.60992	0.4
73.56334	0.5
74.02470	33.5
82.02979	6.1
83.01386	0.9
84.00889	2.4
84.04568	0.7
85.02977	0.4
86.06107	6.8
94.02971	0.7
96.04548	24.9
97.01655	0.7
98.02474	4.3
100.04002	0.5
110.02468	8.4
112.04040	24.2
112.04813	1.1
114.05614	1.1
127.00314	0.6
128.10835	0.8
130.08714	9.8
140.03535	20.4
140.04559	0.8
141.93668	0.4
143.07133	0.8
156.03027	100.0
156.10292	4.2
158.04562	2.4
184.02518	33.3
188.81500	0.5
200.16232	0.5
202.03564	9.6
202.05199	0.8
202.07144	0.5
202.10820	9.0
215.91722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25538	0.4
62.71809	0.4
74.02469	37.1
81.02199	0.8
82.02966	4.2
84.00906	1.2
86.06107	5.8
96.04546	25.4
98.02473	5.7
110.02473	7.8
112.04034	18.7
114.05619	2.1
116.07152	2.5
136.07607	0.5
140.03519	21.3
140.04410	1.4
156.03024	100.0
158.04579	2.7
158.08241	0.7
184.02505	33.9
202.03580	7.1
222.75569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72980	0.6
59.59036	0.6
59.60781	0.6
67.90309	0.7
68.87091	0.6
70.02997	0.6
71.92942	0.6
74.02468	33.5
78.17210	0.9
81.02173	1.2
82.02961	4.8
84.00909	2.7
86.06098	6.3
90.52561	0.7
96.04541	24.6
98.02468	5.4
103.71452	0.8
110.02460	8.5
112.04034	17.8
114.01941	0.7
114.05592	1.2
127.00380	0.9
140.03528	23.5
140.04553	1.2
156.03023	100.0
158.04562	3.6
184.02518	30.5
202.03526	9.6
202.05032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42002	0.4
66.74861	0.3
74.02473	36.5
77.36896	0.3
81.02193	0.8
82.02991	4.9
83.01416	0.7
84.00917	2.6
84.04521	0.5
86.06110	7.0
94.02960	0.5
96.04552	23.3
97.01657	0.5
98.02480	4.5
99.00856	0.6
110.02473	8.9
112.04047	22.1
112.04826	0.8
114.05608	1.6
116.07202	0.4
122.07535	0.5
127.00343	0.7
130.08733	22.0
140.03539	22.1
156.03035	100.0
158.04572	2.4
163.09224	0.5
184.02522	35.4
202.03581	9.0
202.05280	0.7
202.11534	0.4
217.73112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0512
Annotation	3-(3-Indolyl)-2-oxopropanoic acid
Peak:m/z	Relative Intensity
51.54029	0.4
53.05685	0.3
59.01392	5.5
65.04059	0.5
65.99860	0.6
67.54964	0.5
81.90811	0.4
99.92596	5.3
131.03767	3.2
141.93620	10.0
142.02989	17.1
143.03766	2.3
144.04536	7.3
159.03255	8.8
174.05598	31.4
202.05122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0875
Annotation	Nigellimine
Peak:m/z	Relative Intensity
55.10336	0.6
57.45522	0.7
62.76526	0.6
64.88805	0.6
70.02974	15.7
84.19067	0.7
91.05519	4.4
91.14917	0.6
98.02469	100.0
125.41120	0.7
128.04330	0.8
130.08733	3.1
145.02946	11.4
158.06056	0.9
160.03934	0.8
174.05632	0.9
174.09253	1.0
184.07704	1.2
202.05142	6.5
202.08743	22.4
202.11697	2.7
202.13527	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1088
Annotation	Acetylcarnitine
Peak:m/z	Relative Intensity
53.71893	0.1
60.24581	0.1
64.30851	0.1
64.89189	0.1
65.74789	0.1
66.79941	0.1
67.86427	0.1
71.01379	0.2
72.64339	0.1
73.76228	0.1
73.88911	0.1
84.04572	0.1
88.04064	0.3
100.04044	0.2
103.97089	0.1
112.04047	0.6
113.06099	0.1
115.07622	0.2
115.30607	0.1
130.08737	100.0
135.54672	0.1
136.24040	0.1
158.06204	0.1
158.08257	0.3
158.11829	1.4
202.07285	0.8
202.10851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1087
Annotation	Acetyl-DL-carnitine
Peak:m/z	Relative Intensity
54.30843	3.4
87.85049	4.0
98.73000	3.9
101.16477	4.4
155.10785	43.7
158.12656	6.8
202.10838	100.0
222.07187	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43171	0.3
57.14092	0.4
59.01368	0.4
69.03458	0.9
71.01385	1.5
79.95736	5.0
80.96517	0.9
83.01447	0.4
85.02945	0.4
87.00874	0.7
93.03453	1.8
95.05023	1.6
96.96020	2.9
97.02937	2.9
97.06595	0.8
100.41004	0.4
105.03429	0.7
115.04016	5.8
121.02945	1.8
123.04522	100.0
141.01897	0.8
141.05533	0.5
146.11549	0.4
172.99130	6.7
203.00240	51.0
203.01878	2.7
203.05577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
60.99308	0.9
69.03452	46.0
71.01369	27.4
71.01735	1.7
72.99300	7.7
75.00860	2.0
79.01889	6.1
85.02937	5.5
87.00858	8.7
95.01373	3.9
97.02940	96.9
99.00879	2.3
111.00862	3.5
113.02419	1.7
115.00376	7.6
115.04021	1.9
123.00870	1.6
127.00175	0.9
129.01909	5.5
141.01936	29.3
142.07953	0.9
159.02899	1.3
162.01427	1.0
185.00874	1.1
203.01985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.71949	0.7
55.82172	0.7
57.03444	1.5
58.08740	0.6
59.37015	0.7
69.03454	50.3
70.62458	0.7
71.01379	28.7
71.01777	1.0
72.99306	4.0
75.00874	3.1
75.42551	0.7
79.01891	9.9
83.01356	0.8
85.02940	5.1
87.00863	8.3
95.01338	3.0
97.02941	85.6
111.00879	3.1
113.02448	0.9
115.00362	7.7
123.00872	5.2
129.01938	3.6
141.01945	15.9
159.02989	1.1
176.40494	1.0
180.91399	0.9
203.01994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59091	0.8
55.01883	0.8
55.64183	0.7
57.03446	1.5
57.16938	0.7
62.74407	0.7
62.94469	0.8
69.03452	51.7
71.01379	30.4
72.99306	6.0
75.00874	0.9
79.01884	9.0
83.01383	1.0
85.02936	5.8
87.00860	8.3
91.78304	0.8
95.01372	1.6
97.02943	88.3
99.00838	1.1
111.00851	2.0
113.02448	0.9
115.00356	8.9
116.68161	0.9
123.00872	4.3
129.01944	3.6
133.28082	0.8
141.01944	18.0
147.39542	0.8
159.02985	1.6
203.01993	100.0
209.67836	1.1
216.02599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94545	1.0
57.03422	1.4
60.99317	1.7
69.03452	52.5
71.01380	28.6
72.99299	5.9
75.00871	1.3
75.10077	1.4
75.95812	1.3
79.01895	11.3
84.62085	1.3
85.02949	7.1
87.00855	12.6
95.01389	1.8
97.02940	86.0
111.00899	2.5
115.00356	7.1
123.00890	2.6
128.89554	1.2
129.01959	2.3
141.01955	17.9
159.02979	2.4
192.48636	1.5
200.99397	1.4
203.01987	100.0
214.12173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02359	0.7
55.01944	0.6
57.03444	1.3
59.01348	0.7
61.41440	0.7
69.03454	48.2
71.01377	26.5
72.99310	3.6
75.00875	1.8
77.12804	0.7
78.06993	0.7
79.01898	9.1
83.01392	1.5
83.98354	0.8
85.02940	5.4
87.00872	7.8
94.36447	0.8
95.01369	1.5
97.02944	76.3
99.00857	1.2
111.00890	3.5
111.04949	0.7
113.02411	1.2
115.00363	8.7
123.00876	1.8
124.38923	0.7
128.86621	0.7
129.01936	3.5
141.01958	16.3
159.03018	1.7
203.01996	100.0
203.09387	0.9
222.70689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.99090	0.5
56.08643	0.6
57.03457	8.4
57.87685	0.6
59.01372	4.0
60.99269	0.7
64.09248	0.6
65.41198	0.6
66.55985	0.7
67.93269	0.7
68.66345	0.6
69.03455	53.2
71.01378	31.0
71.44621	0.6
72.99303	9.4
75.00871	3.3
79.01908	6.4
79.02331	0.9
83.01371	1.5
85.02943	11.8
85.06569	1.0
85.12344	0.7
87.00873	12.7
87.04507	2.7
95.01379	3.6
97.02942	95.3
99.00873	1.0
104.97765	1.1
110.26590	0.6
111.00878	4.6
113.02421	5.6
115.00355	10.2
115.03989	1.2
123.00872	4.0
129.01941	31.2
131.03528	1.1
141.01947	31.2
141.09113	0.8
159.03014	5.2
163.54396	0.7
185.00981	1.0
185.08260	0.9
185.41498	0.8
202.94199	3.2
203.01996	100.0
203.09238	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43710	0.9
57.03447	1.4
62.04698	1.0
65.45275	0.8
69.03457	48.7
71.01374	28.8
72.99302	2.2
75.00861	1.9
79.01891	8.6
85.02940	5.9
85.94108	0.9
87.00865	10.7
94.96169	1.0
95.01377	1.3
97.02940	82.1
104.93745	1.0
111.00854	1.9
113.02417	1.6
115.00374	6.2
123.00861	4.0
129.01982	2.0
141.01949	20.9
159.02959	1.8
194.05873	1.2
203.01990	100.0
218.59937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0352
Annotation	3-Methoxyjuglone
Peak:m/z	Relative Intensity
59.01384	0.4
65.11725	0.3
69.03461	0.5
92.22444	0.3
95.01365	0.4
97.02944	1.8
104.97744	0.4
115.05543	0.6
117.03445	0.4
119.05030	1.3
125.45248	0.3
129.03470	0.6
130.04214	1.7
131.05052	2.3
133.02946	1.6
139.55817	0.3
146.03754	0.5
147.04510	5.0
148.95486	0.3
157.02934	0.6
158.03714	0.8
159.04521	6.0
160.01630	0.6
161.02455	2.6
173.02455	0.6
174.03218	10.4
175.04001	16.3
186.03233	1.6
188.04781	0.4
202.02756	1.3
202.94203	1.2
203.03523	100.0
203.12929	0.8
206.84564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
72.00906	21.7
72.71632	0.7
73.55644	0.9
74.02468	40.7
78.49345	0.8
80.71553	0.9
91.20741	1.0
98.58874	0.8
115.03925	0.8
116.05052	100.0
118.96653	0.8
120.72690	0.8
120.76175	0.8
129.05850	1.4
130.06625	1.8
142.06621	25.8
152.18729	0.8
159.09265	22.0
185.04587	1.4
186.05588	4.7
203.08281	77.5
206.07968	1.0
219.14458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0829
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.49400	0.8
59.01374	2.5
63.99921	1.0
64.84138	1.0
69.03445	2.4
71.01361	2.0
72.00907	20.1
74.02470	42.5
97.02937	5.8
116.05055	100.0
123.92044	1.3
130.06590	2.4
138.24118	1.2
141.01964	1.3
142.06628	29.4
157.12334	6.0
159.09274	21.1
186.05605	8.5
203.02028	5.4
203.05536	11.7
203.08284	78.0
203.12875	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92291	1.2
59.01368	4.9
69.03440	5.1
70.02978	2.1
70.87012	1.0
71.01364	2.4
72.00904	21.5
74.02467	41.4
75.08340	1.3
85.02952	1.6
86.23202	1.0
87.00845	1.6
88.04027	10.0
97.02939	10.4
98.18372	1.1
100.04002	1.1
113.03545	2.0
113.57893	1.1
114.01955	10.6
116.05051	100.0
121.02942	1.6
129.05800	1.6
130.06633	2.3
131.04622	8.6
131.09047	2.2
132.23401	1.4
134.38072	1.1
141.01933	2.0
141.09103	1.4
142.06615	29.2
148.95422	2.1
150.16269	1.4
157.12302	6.1
159.09283	20.7
186.05589	5.1
202.94104	1.6
203.01993	10.6
203.05467	3.0
203.08275	75.8
203.12856	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0926
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
59.01382	0.7
64.54607	0.4
68.39976	0.4
69.03449	2.1
71.01379	1.0
72.99300	0.7
73.02941	1.9
74.96088	0.4
76.52132	0.3
87.00868	0.8
97.02932	4.9
97.06575	2.6
111.08139	1.8
113.02449	0.7
113.09707	2.3
119.05003	0.4
123.08160	1.6
129.01920	2.6
129.05559	1.6
139.07619	4.4
141.01953	5.4
141.09213	45.3
157.08690	40.5
159.02998	0.5
175.03983	0.8
185.08206	5.2
197.84419	0.4
203.02051	4.1
203.09267	100.0
222.16705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62370	0.5
59.01387	4.2
59.93475	0.5
67.46772	0.6
71.01378	0.8
72.74732	0.5
72.99303	100.0
75.27247	0.5
79.58772	0.5
84.02166	4.0
86.01257	0.5
95.08649	1.3
95.36770	0.6
97.02924	1.0
97.38841	0.5
98.03726	2.9
99.08154	0.6
104.77281	0.6
111.08160	0.8
113.09702	5.5
118.05270	0.5
127.07613	0.7
129.09210	17.0
141.01956	0.9
141.09219	99.2
159.10333	0.8
185.08182	2.9
203.01936	1.2
203.03523	4.0
203.09230	5.1
203.10905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0927
Annotation	diethyl 2-hydroxypentanedioate
Peak:m/z	Relative Intensity
59.01360	0.7
69.26617	0.4
70.70722	0.5
71.05589	0.5
73.02955	0.9
87.00872	2.4
89.99084	0.5
97.06571	0.7
111.08157	0.9
113.06089	2.2
113.09726	1.8
123.08160	1.9
129.05589	3.7
139.07646	2.6
141.09219	37.0
155.07129	0.8
157.08704	38.9
167.82257	0.5
181.21216	0.5
185.08156	4.6
203.09280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1291
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
50.33840	0.7
51.60392	0.6
57.12385	0.5
57.70264	0.6
59.01371	3.3
63.66037	0.7
69.03448	1.2
72.98886	1.1
72.99305	41.3
75.00864	44.6
79.85430	0.7
87.00864	0.8
90.97163	0.8
97.02952	1.0
102.03148	0.7
104.97738	4.8
118.36959	0.9
127.11264	1.7
130.94380	1.2
141.01936	1.1
141.12895	0.9
148.95412	3.5
151.98917	0.8
157.12325	7.5
174.54958	0.9
185.11774	0.9
202.94188	6.9
202.95868	1.0
203.01979	1.5
203.05553	1.0
203.12904	100.0
205.02023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0303
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
53.92024	0.2
56.52171	0.2
57.27223	0.2
57.46292	0.2
72.82456	0.2
74.02490	0.2
87.12608	0.2
98.06131	0.2
100.07710	0.3
104.03528	0.2
114.45941	0.2
116.05059	6.1
116.07168	0.3
124.04073	0.3
126.02769	0.2
128.07144	0.2
130.08731	0.8
131.03662	0.2
132.04582	0.4
140.11368	0.2
142.05931	0.2
159.03235	0.8
160.04042	100.0
174.07700	1.1
186.04968	0.2
197.04210	0.2
199.17284	0.2
204.03017	13.6
204.08765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46204	0.6
58.17337	0.7
59.01382	1.9
68.89977	0.7
71.01382	13.4
71.05011	1.1
72.04538	3.0
79.35103	0.8
82.02978	1.8
84.95248	1.0
87.00874	0.7
88.04037	100.0
89.02425	1.3
90.26359	0.7
96.00896	11.5
96.04548	4.6
98.03291	0.8
98.06108	19.6
99.00888	3.8
100.04045	22.4
104.61718	0.8
109.01689	11.5
114.01951	3.6
114.05611	1.1
115.00352	4.0
115.04009	3.4
116.03582	0.9
116.04337	4.7
124.04039	19.1
126.01987	1.5
132.03040	1.1
142.05080	16.0
142.06024	0.8
144.03055	8.3
148.00157	0.8
160.04047	1.2
160.05992	1.1
168.03024	89.8
169.50493	0.8
173.54390	0.8
186.02548	1.0
186.04102	22.1
204.03407	0.8
204.04927	6.1
209.95432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03464	0.5
59.01373	1.3
59.96450	0.4
68.99799	0.5
71.01373	5.0
71.05018	3.6
72.99306	10.6
74.02479	2.3
82.02985	1.9
88.04032	45.9
96.00899	11.9
96.04539	3.9
98.02468	2.6
98.06112	21.2
98.73956	0.5
99.00867	4.1
100.04052	0.8
109.01691	10.9
110.81388	0.6
114.01930	3.8
114.05576	3.5
116.03516	1.0
124.04032	23.6
126.01981	4.1
130.05072	6.3
142.05099	12.4
144.03029	2.0
154.00285	0.6
158.04587	1.2
160.04042	0.8
168.03021	100.0
186.04079	28.7
204.03200	0.7
204.05177	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98898	0.6
52.56740	0.7
55.01885	1.1
59.01371	1.4
61.13372	0.7
62.99868	0.7
70.02806	0.8
71.01388	12.3
71.05015	1.9
72.04549	3.5
75.71902	0.9
84.05547	0.7
86.49411	0.8
88.04035	100.0
96.00903	13.9
96.04559	5.3
98.06109	16.3
99.00899	1.6
100.04041	21.8
109.01699	14.1
114.01945	1.8
114.05582	1.4
115.00368	1.9
124.04039	20.4
126.01921	3.8
142.05069	17.4
144.03032	9.4
160.06169	1.2
165.17758	1.0
168.03032	92.5
186.04097	18.8
189.82120	0.8
204.03198	1.3
204.05122	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29690	0.5
55.01875	0.7
55.61618	0.6
56.70974	0.6
57.42227	0.7
59.01376	3.3
70.37717	0.6
71.01377	15.3
71.05025	1.4
72.04551	3.5
82.02985	0.9
88.04035	100.0
89.02456	1.0
91.59991	0.7
91.82683	0.6
96.00917	12.5
96.04539	3.3
98.06111	18.7
99.00901	2.7
100.04039	18.9
106.49143	0.7
109.01682	11.5
114.01981	3.3
114.05625	1.0
115.00348	3.8
116.07110	0.7
121.02893	0.9
124.04034	20.8
126.01959	3.6
142.05101	17.0
144.03004	9.6
158.04596	1.1
160.04086	5.7
160.06140	0.9
168.03021	92.9
176.03491	2.7
186.04071	20.5
204.03017	8.3
204.05136	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0877
Annotation	Casuarine
Peak:m/z	Relative Intensity
58.02975	11.5
69.03428	0.5
72.04540	0.5
72.99307	1.1
84.04545	1.3
85.02947	8.3
86.66254	0.5
88.04050	0.7
89.07285	0.6
98.02477	0.6
98.06111	3.4
100.04047	10.1
100.07655	0.7
103.03061	0.5
108.04532	1.1
110.06113	1.1
112.07703	0.7
112.35616	0.5
114.05579	2.8
114.09220	1.1
116.07174	11.4
124.07674	3.4
128.07166	2.1
138.05652	2.7
140.07182	23.1
142.08737	2.1
144.06650	0.8
158.08223	42.0
162.07703	4.9
168.06639	3.7
168.65695	0.5
186.07726	17.7
202.07187	0.5
204.08778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10074	0.3
52.62556	0.3
59.01377	0.9
65.33393	0.4
69.03458	2.1
69.93517	0.3
72.99298	0.8
73.02936	0.4
79.95735	9.6
80.96515	11.2
84.34701	0.4
85.02942	3.8
87.00869	2.2
96.95979	0.4
97.02943	14.3
98.34029	0.4
99.00879	2.4
101.02469	0.6
111.00877	7.9
115.04002	1.8
125.02440	100.0
127.03992	1.0
137.49976	0.5
141.01927	1.9
143.03534	0.4
149.16159	0.4
154.99832	0.5
173.00967	0.7
176.64890	0.4
204.98131	35.3
205.07057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68668	0.3
53.37145	0.3
57.03448	0.5
66.42646	0.3
67.01883	3.3
69.23667	0.3
72.99303	20.1
73.02938	3.2
77.23335	0.4
78.18044	0.4
79.15039	0.4
81.03426	0.4
83.01383	2.5
83.67620	0.4
85.02934	6.8
86.89436	0.4
87.00869	19.0
99.00888	3.0
99.04498	3.8
101.02430	3.5
111.00874	100.0
115.04005	2.3
123.69579	0.4
125.02425	6.6
129.01907	2.9
129.55861	0.4
143.03500	9.9
145.01428	3.7
154.99875	8.0
173.00906	8.7
187.02502	2.3
205.03535	7.7
205.05203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
51.00079	0.3
57.03449	1.4
59.01384	0.4
67.01884	2.9
72.99300	2.4
73.02944	3.0
77.56680	0.3
81.03449	0.5
85.02943	4.7
87.00870	39.1
99.00896	0.5
99.04519	6.0
101.02442	2.4
111.00878	100.0
115.04019	1.8
125.02441	4.3
127.04042	0.6
129.01949	0.4
130.99838	0.6
139.04678	0.4
143.03513	13.6
145.01436	4.1
150.01837	0.4
154.99884	0.7
173.00972	1.5
177.01910	0.4
187.02489	2.9
205.01668	0.7
205.03549	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
65.70045	0.3
67.01897	3.0
71.05009	0.4
72.99313	8.5
73.02951	3.5
83.01386	1.6
85.02942	3.7
87.00869	31.6
99.00837	0.5
99.04540	4.2
99.05061	0.4
101.02457	4.0
107.87149	0.4
111.00874	100.0
112.98788	0.4
115.04001	2.3
117.00163	0.8
125.02445	5.4
129.01968	0.8
131.80479	0.4
143.03503	11.9
145.01395	3.4
154.99854	3.5
162.02988	0.4
173.00897	5.1
187.02443	2.1
205.03549	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82230	0.7
57.02808	0.8
57.03449	1.3
59.01376	1.9
62.88286	0.6
65.46673	0.7
67.01919	0.7
71.05022	6.0
72.99309	1.0
73.02970	0.8
81.03436	1.8
85.02943	16.8
87.00871	4.5
93.03423	1.8
99.00860	1.4
99.04511	44.8
101.01772	1.7
101.02441	43.3
109.02939	0.9
111.00867	4.6
115.03992	22.7
117.05550	1.3
125.02436	100.0
127.03997	3.5
135.38022	0.8
143.03500	21.3
145.01424	66.6
154.99828	1.2
159.03023	1.4
164.39259	0.9
166.92650	1.0
170.60626	0.8
173.04358	0.9
187.02477	59.0
190.02802	1.2
201.39296	1.1
205.03545	49.1
205.05399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
58.58502	0.3
59.01394	0.6
61.89038	0.2
63.98259	0.3
67.01887	3.1
70.15146	0.3
72.99308	12.2
73.02947	3.1
81.03448	0.4
83.01392	1.5
85.02484	0.5
85.02952	10.9
87.00871	30.2
93.03490	0.4
99.00874	1.6
99.04522	3.1
99.05057	0.3
101.02435	1.9
109.03008	0.5
111.00879	100.0
115.04015	1.3
125.02444	0.4
127.04007	2.5
129.01945	1.7
143.03508	11.5
145.01434	0.6
146.40405	0.3
154.99876	5.8
173.00882	6.1
173.04648	0.4
181.16103	0.3
187.02582	0.4
205.01849	0.4
205.03578	4.8
205.07178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
51.84227	0.8
52.85600	0.9
57.03445	1.6
59.01375	1.3
62.13813	1.0
67.24317	0.9
68.64406	0.9
71.05006	5.2
72.99302	11.0
73.02921	2.1
79.95741	1.2
81.03457	1.6
84.15349	1.0
85.02946	16.0
85.90369	1.2
87.00875	1.0
90.06381	0.9
93.01997	1.1
95.33705	1.1
99.00830	1.4
99.04513	41.2
101.01775	2.0
101.02432	40.3
111.00875	35.5
115.03988	22.2
117.05538	1.0
125.02435	100.0
127.03981	2.2
129.01949	1.6
137.61076	0.9
143.03529	20.6
143.07057	1.0
144.40732	1.0
145.01425	64.5
154.99861	4.6
161.06038	1.1
173.00896	5.8
183.14465	1.1
187.02492	42.8
205.03540	53.4
205.05380	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53269	0.2
57.03447	0.4
67.01878	3.2
71.05027	0.3
72.99305	17.4
73.02949	2.6
74.56402	0.3
83.01375	2.6
85.02949	6.4
87.00871	21.9
99.00872	2.1
99.04509	4.8
101.02441	3.9
111.00877	100.0
115.03984	2.3
117.00152	1.1
125.02446	6.7
127.04072	0.4
129.01924	2.7
143.03508	11.5
145.01422	5.1
154.99875	8.8
171.85051	0.3
173.00912	8.3
187.02441	2.5
205.01685	0.4
205.03551	7.6
205.05377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	2-Methylcitrate
Peak:m/z	Relative Intensity
55.01868	0.5
57.03448	3.0
57.21850	0.5
59.01375	2.6
62.36362	0.5
67.01896	1.1
71.01376	5.5
71.05016	17.6
72.99296	2.3
73.02940	2.2
75.00889	0.9
81.03439	4.1
83.01363	3.6
85.02952	21.5
87.00867	45.7
88.04047	0.8
89.02422	6.0
93.03462	1.2
93.77158	0.5
97.02963	0.6
99.00903	0.6
99.04517	18.4
99.05159	0.7
101.02439	23.3
103.60228	0.5
109.02944	0.6
111.00877	37.8
115.04021	0.8
125.02438	100.0
127.04011	3.6
130.99834	0.5
133.01439	0.7
143.03511	5.5
161.04582	2.1
169.01437	0.8
169.03365	4.7
173.04535	1.0
177.01895	0.7
187.02504	5.5
187.04320	1.3
190.06258	0.6
205.01657	1.2
205.03574	21.2
205.05380	1.3
205.07086	0.6
205.12306	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
65.67783	0.5
69.16573	0.5
70.88988	0.5
85.02951	13.9
87.00842	0.9
91.01891	1.1
93.03448	2.8
99.04507	0.7
107.20649	0.5
109.02942	0.7
119.01382	6.6
127.04022	3.5
147.00893	3.8
162.03300	0.9
165.01872	1.3
173.04553	1.0
175.00363	44.2
189.01863	0.9
190.02731	100.0
205.05074	22.1
205.07016	1.6
205.08897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16510	0.1
59.01387	0.2
62.81055	0.2
65.00314	0.2
84.75929	0.2
85.02943	3.2
91.01877	1.9
93.03462	0.9
108.08971	0.2
119.01381	5.4
127.04009	1.0
133.06581	0.4
145.02933	0.8
147.00890	4.3
161.02454	0.4
161.06082	1.1
162.03171	0.3
165.01921	1.9
173.04611	0.3
175.00362	43.3
189.01945	1.0
190.02727	100.0
205.05066	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06487	0.5
58.41623	0.5
58.46659	0.6
59.01381	14.5
61.67788	0.6
66.99501	0.6
72.99297	13.8
75.00867	100.0
85.02946	13.2
87.00864	4.5
93.03426	1.3
99.08172	2.9
106.44918	0.6
106.60758	0.7
109.99419	0.7
125.09694	1.2
127.03995	3.2
129.09227	2.6
133.02956	1.1
139.58826	0.7
146.03737	1.6
161.02361	0.6
161.06064	3.7
173.04498	1.3
175.00287	1.4
187.09715	3.4
190.02711	5.5
190.51669	0.7
205.01442	2.7
205.05078	4.1
205.10808	81.9
205.12320	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20374	0.8
50.86292	0.8
59.01379	14.1
61.54087	0.9
68.51813	1.2
72.99303	24.7
75.00867	100.0
85.02956	10.8
87.00869	6.2
91.67110	1.0
97.88444	0.9
99.08155	1.8
100.36229	0.9
111.00893	1.3
125.02433	1.0
125.09696	4.1
127.04035	1.5
129.09233	4.6
181.07982	1.1
187.09753	6.5
204.99821	1.3
205.10812	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.7
59.01380	11.3
61.26666	0.4
72.99307	14.9
75.00867	100.0
80.98051	0.7
82.90961	0.5
85.02937	5.5
87.00873	4.7
93.03434	0.6
93.15189	0.5
99.08174	3.8
103.55289	0.6
115.07628	1.0
117.03460	4.6
117.07085	0.8
119.16976	0.5
121.03011	0.5
125.02426	0.9
125.09688	0.7
127.04018	0.9
129.05534	1.2
129.09210	3.7
131.35205	0.6
133.02956	1.1
141.09245	0.6
149.02483	0.8
161.02434	9.5
161.06075	2.7
162.03192	0.6
175.00362	0.8
177.01955	8.5
187.09766	4.8
187.11235	1.8
190.02748	3.9
205.01457	9.2
205.03255	1.0
205.05238	2.2
205.10800	80.5
205.12347	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82052	0.3
53.22088	0.4
57.03424	0.4
66.44205	0.4
78.67958	0.4
85.02941	2.5
103.64906	0.4
103.89136	0.4
105.01245	0.4
111.08150	0.5
115.99304	0.4
127.04022	0.5
149.06020	0.5
175.11234	0.8
177.12880	9.3
187.11314	1.8
188.08475	2.4
189.09261	4.6
190.02718	0.5
190.09978	0.7
203.10788	12.3
205.12349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22737	0.3
53.58587	0.3
56.95400	0.4
73.11315	0.5
85.02921	2.2
92.67227	0.5
109.86721	0.4
118.88983	0.5
127.04021	0.7
142.09023	0.5
149.06071	0.5
157.18585	0.6
161.09724	0.7
175.11295	1.0
177.12866	8.6
187.11296	1.8
188.08447	3.1
189.09232	4.7
190.10114	0.8
203.10797	10.3
205.12346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61752	0.3
59.01402	0.4
63.53474	0.3
64.60279	0.3
77.20345	0.3
85.02956	4.4
87.00891	0.4
93.03454	0.5
109.54903	0.3
121.06566	0.5
127.04021	0.8
130.45128	0.3
131.08046	0.3
149.06050	0.6
162.03152	0.4
164.37393	0.4
173.04504	0.4
175.11287	1.4
177.12837	9.4
187.11243	1.8
188.08408	2.5
189.09222	4.9
190.02750	4.9
190.10124	1.3
198.16727	0.5
203.10802	10.0
205.01590	0.4
205.05083	1.7
205.12354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1236
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
59.01381	13.1
81.03423	2.9
85.02944	99.5
87.00863	14.1
93.03455	21.3
96.25500	3.4
117.03439	5.2
118.04249	3.5
121.02908	4.3
127.04016	29.3
135.81587	2.9
145.02963	25.7
146.03835	2.9
150.06862	17.7
161.13350	29.1
173.04562	11.3
175.00388	4.6
190.02722	18.5
205.05067	56.3
205.06932	5.8
205.12329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
52.50445	2.3
59.01379	4.4
67.25784	2.1
73.35971	2.7
81.13825	2.5
85.02945	35.7
87.00840	3.8
93.03471	2.9
127.03991	13.1
149.57254	2.9
150.06877	24.5
161.06120	5.9
161.13359	13.8
173.04631	3.6
175.00365	5.4
180.24448	2.8
190.02777	20.3
205.05029	6.3
205.12321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
50.60265	4.5
52.79956	4.6
52.91289	4.6
59.01375	11.3
64.16127	4.8
74.08585	4.6
85.02943	76.8
87.00876	7.4
89.42126	4.8
93.03478	9.1
93.07104	19.2
105.07045	19.4
112.72088	5.1
127.04000	20.0
148.06297	5.4
150.06853	11.0
161.13383	23.9
189.21672	5.8
205.12363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1234
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
62.07369	0.2
73.34715	0.2
78.74794	0.2
79.26093	0.2
85.02947	2.7
85.98695	0.3
88.09143	0.2
92.22317	0.3
97.54765	0.3
99.04449	0.2
114.36557	0.3
127.04034	0.5
129.05501	0.3
147.08167	0.3
149.06097	0.6
161.09744	0.4
162.03207	0.3
163.11235	0.5
167.61716	0.3
169.05286	0.3
175.11168	1.9
177.12839	8.8
187.11269	2.6
188.08473	3.5
189.09221	7.6
190.02719	2.5
190.10023	1.6
203.10791	9.5
205.12340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.55795	0.5
79.27402	0.5
92.22425	0.8
107.01360	1.0
117.22769	0.5
134.02451	2.5
135.00887	2.1
148.02342	0.6
155.07611	0.5
162.01944	3.3
163.00359	4.3
167.81508	0.5
170.92688	0.5
178.01442	2.8
178.99855	16.3
184.70583	0.6
191.05984	0.7
198.13429	0.5
206.00951	100.0
211.80533	0.5
214.24565	0.5
216.67328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.55795	0.5
79.27402	0.5
92.22425	0.8
107.01360	1.0
117.22769	0.5
134.02451	2.5
135.00887	2.1
148.02342	0.6
155.07611	0.5
162.01944	3.3
163.00359	4.3
167.81508	0.5
170.92688	0.5
178.01442	2.8
178.99855	16.3
184.70583	0.6
191.05984	0.7
198.13429	0.5
206.00951	100.0
211.80533	0.5
214.24565	0.5
216.67328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.47273	0.4
58.02977	26.3
60.38838	0.4
70.02975	10.1
70.03323	0.6
70.85268	0.5
72.00919	2.5
78.10691	0.5
91.05522	24.0
147.04517	31.4
153.62856	0.5
162.09233	1.8
164.07175	100.0
181.39772	0.5
206.08232	34.6
209.40733	0.5
210.02419	0.5
222.37692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02978	25.1
70.02969	11.3
72.00902	3.6
74.65818	0.7
75.49893	0.5
91.05526	24.5
92.23167	0.6
97.02891	0.6
134.78502	0.7
135.04506	0.9
147.04526	32.7
152.51736	0.6
162.04524	0.7
162.09271	0.7
163.03999	0.7
164.07176	100.0
175.56070	0.6
178.05074	6.6
191.03378	4.4
206.08226	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41098	0.4
79.78864	0.4
86.02444	2.0
86.03246	0.6
90.92077	0.4
98.06065	0.9
99.74786	0.5
142.05115	0.6
148.31454	0.5
163.06381	2.7
191.02322	2.2
191.05898	100.0
206.04669	2.8
206.08246	30.1
219.14627	0.4
228.43265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84295	0.8
52.36943	0.8
52.78669	0.8
55.36800	0.8
58.02976	23.0
63.44069	0.9
70.02974	10.5
72.00896	3.4
77.73515	0.8
79.39728	0.8
85.60519	1.0
91.05532	23.6
142.33438	1.0
147.03322	1.2
147.04512	35.3
147.05612	1.9
162.09236	1.0
164.07176	100.0
173.58980	0.9
206.08255	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78515	0.8
58.02704	1.2
58.02979	20.8
63.85949	0.9
70.02970	8.9
72.00899	3.8
91.05526	23.2
113.58486	0.9
122.66203	0.9
147.04518	31.6
162.09253	2.0
164.07181	100.0
206.08234	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Thalifoline
Peak:m/z	Relative Intensity
53.41098	0.4
79.78864	0.4
86.02444	2.0
86.03246	0.6
90.92077	0.4
98.06065	0.9
99.74786	0.5
142.05115	0.6
148.31454	0.5
163.06381	2.7
191.02322	2.2
191.05898	100.0
206.04669	2.8
206.08246	30.1
219.14627	0.4
228.43265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28590	0.2
53.96766	0.3
59.01379	0.8
69.03452	0.4
77.27678	0.3
84.39994	0.3
108.02184	0.6
110.02485	0.3
117.01907	0.4
120.02143	0.5
123.00890	1.4
129.01884	0.4
157.75282	0.3
164.01151	2.1
168.35316	0.4
177.01936	0.8
184.98784	0.4
192.00658	100.0
207.02997	22.8
207.04469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.051
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
53.98695	0.4
54.80832	0.4
55.01868	0.5
58.00592	2.7
59.01381	26.4
60.79007	0.4
61.34010	0.3
71.01377	6.6
72.58700	0.4
72.99297	3.7
73.02934	5.0
75.00859	0.5
83.01391	2.5
84.34928	0.4
85.02957	0.5
87.00877	0.8
89.02445	6.5
92.95464	0.5
99.00873	2.4
101.99578	1.0
111.98331	0.4
113.02422	0.6
115.03987	1.1
117.01927	100.0
117.05579	1.1
120.99670	1.8
138.70859	0.5
142.11656	0.5
159.02940	0.6
163.03972	0.5
185.50826	0.6
189.04042	1.0
207.05101	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40075	0.4
55.01862	0.3
55.16081	0.4
56.77349	0.3
58.00593	2.8
59.01384	23.0
59.01687	0.8
66.31632	0.3
68.33396	0.4
71.01371	5.4
72.99305	2.7
73.02947	4.4
78.95911	0.6
83.01382	2.5
85.44070	0.5
89.02437	6.6
98.96511	0.4
99.00877	2.5
101.99553	0.9
115.03990	0.8
117.01930	100.0
117.05569	1.8
131.87978	0.4
136.94009	0.9
147.02916	0.4
153.90935	0.4
159.02916	0.4
189.04076	2.5
192.04214	0.6
206.95531	7.6
207.05098	10.5
207.06824	0.8
224.96634	0.5
229.37459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.69271	0.3
54.30876	0.2
57.03448	0.3
57.71616	0.3
59.01381	1.2
68.16158	0.2
71.70685	0.2
93.03448	0.5
93.04572	0.3
95.04977	0.4
121.02948	1.1
123.04510	1.3
129.01918	0.3
133.02930	0.3
134.04863	1.4
146.68536	0.3
149.02431	5.3
163.04008	1.4
163.07616	0.9
163.08781	5.7
177.01936	79.6
191.03529	1.5
192.04303	100.0
207.01242	1.0
207.03328	0.7
207.06642	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
52.66750	0.2
53.36853	0.2
54.84053	0.2
58.13161	0.2
66.30710	0.2
70.74738	0.2
80.00137	0.2
83.06763	0.2
92.22984	0.3
105.03472	1.0
105.97303	0.2
112.21413	0.3
115.77150	0.2
116.92202	0.2
133.02956	9.2
133.03896	0.5
148.26991	0.2
149.02415	0.3
151.04048	0.3
164.04805	1.5
169.17744	0.3
177.01935	9.6
181.89659	0.2
186.98541	0.3
192.04303	100.0
207.04663	0.6
207.06638	14.9
207.13907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1027
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.60513	0.3
57.43952	0.3
57.44253	0.3
77.72307	0.4
148.66101	0.4
163.11284	70.1
177.01955	1.5
183.08403	0.4
189.95782	0.4
192.04294	2.5
207.10278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1027
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
55.76476	0.5
56.80383	0.5
59.01395	1.4
78.78966	0.6
79.95739	8.6
84.82161	0.6
93.03444	94.3
93.39549	0.7
95.05023	2.6
106.04247	5.1
107.05041	8.6
133.02950	1.6
133.10214	1.4
145.10217	4.8
161.09737	3.3
162.94687	0.7
163.11278	100.0
163.44955	0.7
177.01955	4.9
192.02585	0.9
192.04297	19.9
207.02940	0.8
207.06918	14.3
207.10242	19.5
207.13934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38037	2.7
56.09172	2.8
56.90969	2.8
59.01387	42.1
73.97317	2.9
83.05070	3.9
89.04288	3.3
92.23134	4.4
98.38689	3.1
99.97637	3.2
109.02718	3.3
124.22993	3.3
129.01915	5.0
177.01987	39.7
192.04306	82.4
197.36978	3.6
207.06648	28.8
207.10342	3.4
207.13921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0378
Annotation	cis-6'-hydroxyferulate
Peak:m/z	Relative Intensity
57.97117	0.5
73.67377	0.6
75.58869	0.5
77.25939	0.6
91.44043	0.7
95.01381	6.2
104.07973	0.6
109.02945	7.1
112.93576	0.7
121.02955	0.9
123.00877	12.9
124.36316	0.6
137.02452	15.3
151.00313	3.0
165.01923	30.7
193.01430	100.0
207.03003	3.7
208.01895	1.1
208.03789	22.2
208.10028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0616
Annotation	p-Hydroxyphenylacetylglycine
Peak:m/z	Relative Intensity
54.32089	0.5
76.89855	0.6
84.12912	0.6
93.03466	0.7
93.41315	0.7
106.04267	7.3
107.05024	100.0
108.02179	1.5
109.28761	0.6
119.04993	1.1
120.04543	3.9
121.02906	4.8
135.04535	1.2
136.04065	0.8
136.07678	30.9
150.01865	0.6
159.97301	0.8
163.04077	2.4
164.07182	8.6
180.06770	0.8
208.06168	22.8
210.51845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0617
Annotation	Penidilamine
Peak:m/z	Relative Intensity
51.09812	0.3
69.38764	0.4
70.21662	0.3
76.36896	0.4
78.75147	0.4
88.04032	2.4
91.01904	0.5
93.03453	9.0
95.43723	0.4
100.60729	0.5
118.02998	9.0
121.02946	0.7
136.04045	100.0
155.20477	0.4
164.07201	12.1
200.00388	0.4
208.06146	11.1
209.74164	0.4
221.33493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0616
Annotation	Penidilamine
Peak:m/z	Relative Intensity
50.39336	0.3
56.86636	0.3
65.41940	0.4
66.76073	0.5
71.01382	0.5
87.66908	0.4
88.04025	1.8
88.91654	0.4
92.22487	0.5
93.03448	9.3
101.66458	0.4
114.01984	0.5
118.02972	8.8
121.02934	0.6
122.31576	0.4
136.04042	100.0
164.07185	11.6
195.17505	0.4
208.06158	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84821	1.2
59.56495	1.5
77.83102	1.5
96.19658	1.6
97.02972	3.4
103.00762	1.6
103.85267	1.5
109.02975	2.9
115.69136	1.6
119.05020	2.1
121.02959	2.8
123.04489	9.4
135.04543	11.6
137.02437	3.0
139.94800	1.8
149.06035	1.9
151.04005	6.8
151.07671	2.8
153.05594	10.8
157.35748	1.8
162.50407	1.8
162.95372	3.2
163.04010	58.2
163.95688	15.7
177.05542	3.9
178.02272	2.3
179.07162	2.6
180.03871	3.7
181.05072	32.8
182.05908	8.3
193.04684	2.0
194.15852	1.9
202.93272	1.7
207.06627	2.6
207.94670	14.0
208.07314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91045	0.7
54.40878	0.7
87.13908	0.7
94.03010	1.0
104.05081	2.9
107.05072	0.7
108.02186	1.2
108.04539	1.1
116.27896	0.8
123.04490	1.2
130.68562	0.8
134.03738	5.0
135.04544	11.3
140.10823	3.4
141.09201	1.3
151.04001	3.8
163.04012	8.8
164.01770	16.0
168.10283	3.4
170.57872	0.9
176.03476	1.1
178.01477	3.1
179.05859	9.2
180.06635	0.9
180.10065	5.1
181.08553	1.3
182.11598	3.2
188.06914	14.4
190.08521	17.7
192.03059	1.5
208.00670	1.3
208.06339	22.0
208.09557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.098
Annotation	Anhalamine
Peak:m/z	Relative Intensity
51.01178	0.2
63.24493	0.2
78.50468	0.2
80.05413	0.2
82.52609	0.2
94.02981	0.3
96.96000	0.6
163.07686	0.3
172.48193	0.3
178.09932	0.5
193.04565	0.9
208.09795	100.0
225.06421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.098
Annotation	Anhalamine
Peak:m/z	Relative Intensity
52.30317	0.5
66.03482	3.4
75.54021	0.6
75.85175	0.6
80.00891	0.6
94.03014	0.8
94.81963	0.6
94.91432	0.6
107.03764	98.6
113.72317	0.7
120.79745	0.6
122.06139	0.9
151.02744	18.7
162.09213	3.5
164.10799	100.0
193.01425	1.0
208.09799	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17776	0.4
62.58507	0.4
66.03486	100.0
76.68291	0.5
78.95905	0.5
94.02975	15.5
164.03482	0.6
164.10747	3.4
172.04134	0.6
193.04626	1.1
203.98351	0.6
207.93811	0.7
208.09686	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38229	0.7
65.00329	4.0
65.03967	1.2
70.57560	0.6
74.99109	1.1
79.04227	0.7
85.02957	1.3
85.85974	0.7
91.01884	50.9
92.22379	0.7
93.03454	1.5
107.04993	0.7
108.02163	4.6
109.02946	70.3
117.03423	0.8
121.02950	41.7
137.02460	1.0
150.03189	1.3
151.03859	0.7
153.65692	0.8
161.02570	0.9
165.01924	100.0
172.33017	0.8
179.03485	1.7
194.02188	1.7
196.19485	0.9
209.01152	1.6
209.04533	3.3
209.06439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61108	0.3
53.57362	0.4
54.96337	0.4
59.01378	0.6
63.02388	0.4
65.00320	2.5
65.62038	0.4
73.88103	0.4
80.96520	5.8
85.02956	0.6
87.00861	0.5
91.01890	48.7
93.03478	0.8
98.49428	0.4
105.03468	1.0
107.05003	0.9
108.02142	3.6
109.02947	72.1
121.02950	33.1
123.04504	2.5
135.04477	0.5
137.02438	4.0
150.03212	7.9
165.01927	100.0
165.05574	3.7
179.03564	0.5
187.57983	0.5
193.98555	0.6
194.02155	1.4
194.05905	0.6
209.00943	2.3
209.04608	3.5
209.11916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49000	0.5
59.01370	1.3
65.00327	4.2
74.99095	7.7
76.65901	0.6
80.91681	2.5
85.02966	1.2
87.00893	0.8
91.01882	51.4
93.03448	8.3
94.02959	0.6
105.03443	3.4
105.94720	0.6
107.01354	0.7
107.05031	1.0
108.02137	5.3
108.05359	0.7
109.02944	73.1
120.02156	0.8
121.02946	64.6
121.06570	1.1
123.04520	1.3
133.02937	1.1
135.04509	1.0
136.99158	3.8
137.02440	3.2
142.75107	0.6
147.04523	0.8
149.02469	1.2
150.03207	0.8
151.03992	0.6
152.01144	0.7
160.47241	0.6
161.02478	2.6
165.01924	100.0
165.05569	3.1
165.09053	0.6
176.04814	0.7
177.02010	0.6
179.03505	6.6
194.02213	3.5
194.05873	5.5
208.84979	1.1
209.01085	4.5
209.04547	8.0
209.08174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81289	0.5
63.02389	0.6
65.00329	2.2
69.50257	0.5
71.44049	0.5
73.79340	0.6
79.23078	0.5
80.96521	1.3
81.03467	2.3
85.02984	0.7
87.65282	0.5
91.01894	37.4
93.03448	3.7
95.01375	1.0
96.96009	4.3
108.02166	16.8
109.02952	66.4
121.02952	29.2
122.03684	1.2
127.37296	0.5
135.00923	0.8
136.01678	5.8
137.02455	22.1
138.03210	0.8
139.04022	0.7
142.08452	0.7
150.03229	47.3
153.55028	0.6
164.04802	0.8
165.01936	100.0
165.05551	5.5
182.05894	0.8
183.06653	17.3
185.08057	0.6
193.98659	0.8
194.02234	14.4
194.03891	1.1
194.05914	0.6
209.00964	15.8
209.04607	23.2
209.08183	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60797	0.4
57.35124	0.4
59.01375	0.5
61.82856	0.4
65.00327	2.5
68.43517	0.4
76.90118	0.4
85.02949	2.6
89.02427	0.4
91.01889	39.5
93.03434	0.5
95.01434	0.5
96.95965	0.8
100.43962	0.4
108.02200	3.1
109.02950	69.1
119.03334	0.5
121.02950	26.2
124.01644	1.6
130.11014	0.5
136.04068	3.2
137.02426	0.4
137.03596	0.4
137.04417	6.8
138.03186	0.7
139.04027	0.9
150.03212	1.1
150.64696	0.5
151.00391	0.9
156.30489	0.5
161.02417	0.6
165.01932	100.0
178.99858	0.5
179.03474	1.0
191.01993	0.5
191.03528	0.5
193.01442	0.4
194.02229	44.5
194.05884	1.0
209.00987	11.7
209.04556	16.3
209.06329	1.3
209.11441	0.5
209.13255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84371	0.6
55.97814	0.8
57.03453	9.7
59.01386	11.0
71.01377	16.2
72.99301	5.1
73.02953	0.8
75.00890	3.7
83.01393	0.8
84.02161	1.3
85.02948	100.0
87.00870	3.3
89.02440	10.5
91.39769	0.8
96.76807	0.6
99.00912	0.8
99.88654	0.7
103.00388	1.6
108.12030	0.7
109.02959	1.1
111.00883	5.7
115.00333	1.2
121.02944	9.3
129.01947	9.4
133.01425	12.9
147.02997	3.3
147.04456	1.4
148.75398	0.7
173.00902	1.7
191.02000	28.8
191.03525	4.7
209.03009	30.6
209.04565	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
57.03452	10.7
58.48238	0.6
59.01381	11.5
60.09024	0.7
64.23932	0.8
71.01377	14.5
72.99286	1.8
73.02933	0.9
75.00858	6.8
83.01382	1.5
84.02200	0.9
85.02950	100.0
87.00870	3.4
89.02445	10.3
101.02419	0.9
103.00393	1.9
111.00159	0.7
111.00853	6.6
115.00362	1.6
121.02962	3.0
129.01939	10.2
133.01419	12.2
137.02467	1.5
147.03040	4.4
165.01964	1.7
167.19185	0.8
173.00900	1.7
179.03520	1.0
191.02010	30.8
191.03668	1.7
194.05870	0.9
209.01028	1.5
209.03032	35.3
209.04523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25455	0.6
55.01885	0.8
57.03451	10.2
59.01379	10.2
59.02629	0.7
60.29421	0.6
62.96650	0.6
71.01376	12.9
72.99305	1.7
74.54763	0.6
74.99091	0.8
75.00871	3.1
83.01376	1.5
84.02151	0.9
85.02946	100.0
85.51978	0.6
86.49980	0.7
87.00859	2.8
89.02435	10.5
94.98889	0.6
101.02435	0.9
103.00378	3.1
111.00870	7.4
115.00366	0.9
122.47765	0.6
129.01941	9.3
133.01416	13.1
136.99136	0.7
147.02997	5.0
150.03195	0.9
161.02458	2.8
173.00893	2.8
176.04936	0.8
179.03497	3.3
191.01984	25.6
194.02170	1.3
194.05881	2.5
209.03027	27.9
209.04836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
56.55219	0.6
57.03447	10.3
57.34188	0.5
59.01384	11.4
59.53708	0.6
60.36600	0.6
61.71270	0.7
71.01380	14.6
72.99315	1.7
73.02918	0.8
75.00861	4.0
79.39615	0.7
83.01417	1.0
84.02150	0.9
85.02943	100.0
87.00886	3.0
89.02428	8.0
94.42248	0.7
99.00883	0.9
101.02462	1.2
103.00391	2.9
111.00857	5.2
115.00361	1.8
121.06562	0.9
129.01945	8.3
133.01408	11.4
135.11952	0.8
140.23509	0.8
147.03012	5.2
165.05560	3.0
173.00932	1.6
191.01996	32.3
209.03040	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03199	0.6
57.03456	9.7
59.01385	12.9
67.05068	0.4
67.24354	0.5
68.99816	1.0
71.01382	16.5
72.99297	3.3
74.99089	0.9
75.00864	4.8
79.86571	0.5
80.05049	3.0
83.01381	1.3
83.38847	0.5
84.02149	1.0
85.02946	100.0
87.00857	3.4
89.02444	8.6
101.02473	0.7
103.00362	3.6
111.00880	4.8
113.62813	0.5
115.00350	2.2
117.74899	0.5
121.02952	1.0
123.05636	14.6
129.01936	7.3
133.01430	11.0
135.12219	0.5
136.99052	0.9
138.01982	1.0
145.06775	0.5
147.03014	4.0
165.04048	0.6
173.00896	2.5
181.46223	0.5
184.88950	0.6
191.01990	25.1
194.02176	0.9
197.39615	0.6
209.03020	32.6
209.04533	1.5
209.09372	1.2
221.50027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01885	0.8
57.03454	9.3
59.01381	9.4
62.66507	0.7
63.16662	0.6
68.99801	0.9
69.52766	0.6
71.01379	13.4
72.99324	2.7
73.02940	0.8
75.00871	3.8
83.01405	1.1
85.02948	100.0
87.00871	2.4
89.02439	8.4
101.02446	0.8
103.00350	1.0
111.00871	4.9
115.00360	2.7
115.42134	0.6
115.56044	0.5
121.02959	4.6
122.71475	0.6
129.01952	10.4
129.12761	0.5
133.01448	11.1
147.03006	5.5
173.00919	2.3
191.00262	1.1
191.01993	28.6
197.35089	0.8
209.03040	29.4
224.17766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55155	0.5
53.65323	0.4
55.01878	1.0
57.03456	9.5
59.01378	10.7
63.18274	0.6
68.99828	0.6
71.01381	16.6
72.99308	3.4
75.00882	4.6
83.01376	2.4
84.02166	1.0
85.02948	100.0
87.00868	2.9
89.02448	10.4
99.00894	0.8
101.02415	0.6
103.00381	2.6
111.00865	6.2
115.00372	1.3
129.01941	9.2
133.01425	10.8
147.03035	3.6
166.41696	0.6
173.00963	2.6
191.01999	26.2
209.03050	28.7
209.04634	1.2
209.06439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33129	0.6
52.86373	0.6
57.03447	10.0
57.43008	0.6
59.01384	11.0
61.87050	0.6
68.99822	0.7
71.01378	12.7
72.99314	2.9
73.03510	0.6
74.99082	1.0
75.00870	3.4
83.01366	1.0
85.02946	100.0
87.00874	5.1
89.02444	9.3
99.00900	0.8
99.16412	0.6
101.02415	0.8
103.00347	1.6
111.00904	5.6
118.61691	0.8
129.01935	9.4
133.01416	13.4
136.99159	1.2
147.02975	4.4
165.05547	1.1
173.00908	1.4
185.73894	0.6
191.01994	28.0
209.01003	1.0
209.03038	29.9
209.04564	1.3
209.06519	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01884	0.8
57.03449	10.0
59.01380	11.3
64.82312	0.4
65.69391	0.4
68.99825	0.9
71.01378	14.9
72.99294	3.2
73.02938	1.0
75.00889	3.7
83.01388	1.9
84.02161	2.0
85.02946	100.0
87.00871	2.8
89.02439	10.0
92.54636	0.4
94.02998	0.7
96.96005	8.0
99.00858	0.9
100.45776	0.5
101.02462	1.9
102.50959	0.5
103.00356	2.7
106.04220	0.5
108.05377	0.5
111.00887	5.5
115.00377	3.1
121.03009	0.6
121.06612	0.8
129.01936	9.0
133.01419	13.1
135.04483	0.6
137.06113	1.1
139.48965	0.4
147.03009	3.7
158.16367	0.5
165.05569	2.5
173.00888	3.5
179.03474	0.4
191.01996	25.5
209.01357	1.1
209.03030	28.3
209.04706	3.0
209.06468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.3
59.01380	10.0
71.01377	14.2
72.99302	2.6
73.02937	0.6
75.00874	4.2
75.95208	0.5
80.05055	0.9
83.01389	1.2
84.25330	0.6
85.02945	100.0
87.00886	3.5
89.02435	9.6
99.00865	0.7
101.02452	0.8
103.00365	3.1
103.18844	0.6
111.00861	5.3
115.00362	1.5
116.35045	0.7
117.03477	0.6
120.02185	0.7
121.02949	15.1
123.05659	5.6
129.01913	8.8
133.01425	13.1
147.03012	4.4
150.03224	5.3
153.01825	0.6
165.04225	0.6
165.05504	1.1
170.89255	0.6
173.00858	1.2
175.92445	0.6
179.03566	1.2
191.01982	25.1
191.03636	1.2
194.02144	5.3
194.05901	0.8
198.00243	0.6
209.03000	28.9
209.04634	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0457
Annotation	5-Hydroxyferulate
Peak:m/z	Relative Intensity
59.09015	0.4
59.77335	0.5
62.46022	0.5
74.99088	4.9
80.96523	3.6
83.01380	3.2
85.02954	0.8
91.01382	0.6
91.01859	4.4
91.50444	0.6
91.83263	0.5
93.03435	5.1
96.95975	1.0
108.02157	3.7
109.02946	9.8
111.00870	1.0
121.02950	26.3
121.06609	0.6
122.03725	4.0
123.00874	0.7
124.01662	1.2
127.03992	0.8
136.01707	0.8
136.99107	2.8
137.02446	4.4
138.03224	0.7
139.04005	1.3
150.03221	100.0
151.00362	0.8
165.01918	23.1
165.05554	12.1
168.12155	0.7
179.03639	0.6
180.36215	0.5
183.06639	8.4
194.02217	44.3
208.97617	3.2
209.01201	6.9
209.04572	51.6
209.07895	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0569
Annotation	5-aminosalicyluric acid
Peak:m/z	Relative Intensity
57.03435	1.4
59.01154	0.4
59.01385	6.8
66.03462	0.8
71.01364	1.2
73.02924	0.7
77.78422	0.6
83.01378	0.9
85.02942	11.0
87.00832	3.0
89.02404	2.9
93.03434	0.8
94.02978	20.1
96.95968	0.9
101.02432	9.0
111.00875	6.0
122.06104	2.2
129.01941	5.5
136.03938	0.8
138.01971	100.0
150.01810	0.6
150.03101	0.8
155.68469	0.6
165.06557	1.1
166.05055	3.2
191.01927	0.6
191.05595	0.8
209.05614	59.2
224.39085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.7
59.01381	23.6
64.31006	0.9
71.01376	9.4
73.02937	1.8
78.95870	1.4
83.01379	4.5
84.02166	2.0
85.02948	81.1
87.00870	24.2
87.04507	1.3
89.02437	9.1
97.88461	1.0
99.00869	5.2
101.02464	8.7
110.98454	1.5
111.00857	6.4
119.03468	1.3
129.01947	44.3
141.01942	5.7
146.10440	1.2
159.02977	8.8
191.05614	5.0
201.18964	1.0
201.36797	1.1
209.06683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01873	0.9
57.03453	21.0
58.99602	1.9
59.01102	1.1
59.01381	23.9
68.99802	0.8
71.01374	11.9
71.15157	0.7
71.27227	0.7
72.99297	1.6
73.02927	3.2
74.99078	0.8
75.00868	0.9
83.01385	3.9
84.02151	3.3
85.02946	100.0
87.00867	24.9
89.02451	9.8
91.66380	0.7
93.03449	1.3
97.02972	1.8
99.00912	6.4
99.01459	0.7
101.02441	5.3
111.00875	8.3
113.02463	1.3
115.03967	1.5
117.01908	0.9
119.02293	0.9
121.02952	0.7
123.04509	1.1
129.01936	42.8
131.03514	0.7
132.54599	0.7
133.01437	1.8
136.99043	1.0
141.01942	4.3
147.03009	1.8
159.02985	10.2
173.04559	1.3
191.02061	7.7
191.05626	4.2
203.53201	0.8
209.03407	8.1
209.06682	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.10245	0.3
54.72910	0.3
57.03445	0.5
59.01382	0.4
64.33241	0.3
70.78667	0.3
70.96595	0.3
71.01380	1.3
72.99294	0.7
73.02964	0.5
85.02942	3.9
91.01894	1.8
91.05526	100.0
93.03452	0.6
109.02956	3.0
117.01950	1.8
117.03445	2.6
119.04969	1.3
121.02987	4.4
135.04520	4.7
137.02449	0.7
139.19464	0.3
140.18106	0.3
147.03461	0.6
147.04530	9.3
149.06046	0.4
150.03197	0.5
163.03978	3.4
163.07596	3.1
165.01952	4.6
165.05563	20.9
167.92950	0.4
175.82285	0.3
183.73981	0.3
188.15990	0.3
191.01973	0.6
191.07155	2.9
194.02220	5.7
209.04652	3.3
209.08212	57.9
209.11690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0853
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
50.44018	0.3
51.83412	0.3
57.03452	0.4
63.76862	0.3
67.42576	0.4
79.95725	0.9
89.19545	0.3
95.95225	0.4
96.96001	90.5
99.90116	0.3
121.02936	4.2
165.12813	0.5
193.18011	0.4
209.08537	100.0
209.11832	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82131	0.4
79.95740	1.0
96.96006	89.6
99.82198	0.4
102.44308	0.4
109.28017	0.4
121.02973	3.6
135.06013	0.4
191.03706	0.4
194.02333	0.6
194.05858	0.6
209.08562	100.0
209.11867	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.67412	0.6
55.01878	1.1
57.03450	0.7
59.01386	0.9
61.19513	0.7
72.58895	0.6
77.96478	0.8
81.03448	1.3
81.75211	0.8
83.01379	19.3
83.05006	1.3
89.56084	0.7
95.28154	0.7
97.06570	1.6
121.02956	8.6
125.09709	17.8
134.19231	0.8
163.11319	9.5
165.12819	4.7
167.10889	1.2
181.12355	2.9
191.10803	7.6
209.04555	3.2
209.11853	100.0
213.37997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
70.34126	0.4
79.17626	0.5
79.19936	0.6
80.02669	1.1
80.91673	0.8
81.03455	0.5
83.05012	6.6
121.02955	11.7
124.00426	0.5
163.11269	6.1
164.92307	0.6
165.12845	4.7
179.03499	0.9
181.12367	0.7
191.03445	0.7
191.10748	1.2
194.05827	1.3
198.84457	0.6
209.04523	2.9
209.11839	100.0
209.15372	26.6
209.66695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
53.99508	1.5
57.03448	2.3
59.01382	2.5
63.32703	1.3
71.01376	13.2
80.02673	1.6
83.05032	2.5
95.05035	2.5
97.06554	2.8
100.53484	1.3
121.02948	20.0
125.09718	3.0
147.11681	2.0
151.11288	19.9
153.12848	2.8
160.35696	1.4
163.11281	8.1
165.12831	32.5
173.09778	2.5
179.10725	5.1
181.12344	36.9
190.90536	1.5
191.10773	13.1
209.04605	5.3
209.11856	100.0
209.15424	49.5
218.24187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.34286	0.6
51.80232	0.5
53.36523	0.6
55.01874	1.2
57.03424	0.7
59.01365	1.1
65.06835	0.6
67.43005	0.6
70.90495	0.6
72.23468	0.6
81.03440	3.1
83.01385	20.9
83.05011	3.2
84.02193	0.8
95.05011	0.8
97.06570	1.1
109.75708	0.6
117.03504	0.7
121.02944	18.0
125.09711	17.7
132.63216	0.8
134.70171	0.7
135.08110	1.3
163.11292	10.6
165.12804	5.4
181.12364	4.0
191.10832	8.5
194.02199	0.8
209.04631	3.3
209.11847	100.0
229.77979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.41951	0.5
59.01382	100.0
60.73089	0.4
79.74284	0.4
81.03484	0.6
92.23087	0.6
97.06586	0.4
109.06573	0.9
117.03476	0.5
118.69250	0.5
121.02966	7.9
129.26115	0.5
161.02460	0.6
165.12857	3.0
175.19904	0.4
179.03513	0.9
194.02206	0.6
194.05978	1.1
209.04610	2.3
209.08206	0.9
209.11848	21.5
209.13748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.77449	0.3
59.01376	0.9
65.67746	0.3
67.27314	0.4
89.52763	0.4
121.02943	8.2
121.98711	0.4
146.49059	0.4
165.12811	0.9
209.11841	100.0
209.15366	4.4
218.62862	0.4
225.02702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1548
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01865	0.5
57.03461	1.3
59.01381	3.6
81.03468	1.6
83.00941	1.1
83.01382	12.3
83.05031	3.4
95.04987	0.7
121.02946	24.2
125.09713	11.6
163.11307	8.6
165.12837	6.2
179.03534	0.8
181.12392	1.7
191.03598	1.1
191.10776	5.7
194.02245	1.3
194.05946	1.4
209.04596	4.5
209.11864	100.0
209.15456	73.1
217.50015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04046	0.4
52.26872	0.5
58.52602	0.5
59.01377	1.2
60.91272	0.5
72.80882	0.5
76.72293	0.5
85.02951	1.0
86.31402	0.6
100.98373	0.6
104.33227	0.6
116.78963	0.7
121.02945	15.2
136.51810	0.6
165.12775	0.8
167.68669	0.6
181.12369	0.7
191.14476	0.8
198.22951	0.6
209.04596	5.4
209.11859	8.3
209.15479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1548
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
59.01365	0.7
65.48042	0.7
83.05043	2.8
93.91620	0.7
106.98527	0.6
115.29190	0.7
121.02947	7.8
125.09676	1.1
163.11345	1.1
165.12828	3.7
167.10764	1.3
188.30945	0.8
191.10793	1.0
191.14438	1.1
209.11932	31.1
209.15474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1548
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01870	0.7
59.01373	3.0
59.60072	0.7
60.56454	0.7
64.16780	0.7
67.57674	0.8
69.03458	0.6
80.91714	1.2
83.01395	1.3
83.05010	1.2
85.02937	1.3
89.48046	0.7
110.24732	0.7
121.02953	19.7
125.09702	3.7
155.62689	0.7
165.12810	2.8
167.10771	4.3
191.10838	0.9
209.04524	3.3
209.11894	38.9
209.15475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1549
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
59.01380	3.9
75.76003	0.8
83.05016	1.3
85.02927	1.0
97.04129	0.7
107.05043	0.8
119.57764	0.8
121.02961	21.9
133.39377	0.8
136.53613	0.8
165.12872	3.9
172.03893	0.7
191.10744	0.7
191.14453	1.7
209.04588	3.9
209.11913	35.0
209.15483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0409
Annotation	DIMBOA
Peak:m/z	Relative Intensity
50.00322	0.4
62.27916	0.4
65.99854	1.2
66.03492	1.0
68.01408	10.7
80.01401	0.8
85.02943	0.7
89.32967	0.6
95.43431	0.5
108.04582	0.6
122.06132	0.8
124.04019	1.0
125.02424	2.3
125.81092	0.6
129.43689	0.5
166.05028	0.8
210.04099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32033	0.5
65.10678	0.5
66.03488	8.7
91.05534	1.0
92.05869	1.1
94.03001	3.7
94.06609	2.4
104.05066	70.3
107.03769	0.9
108.04549	3.5
120.04539	6.2
122.06120	100.0
124.04044	9.2
131.23848	0.6
136.04022	2.9
136.72975	0.6
136.92313	0.6
138.05701	0.6
144.84059	0.6
152.03561	1.1
161.04721	0.6
166.05099	58.1
170.49834	0.6
185.27687	0.6
194.02092	0.9
195.02580	4.5
210.04201	4.5
210.08269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0409
Annotation	DIMBOA
Peak:m/z	Relative Intensity
50.00332	0.8
65.99852	1.9
66.03471	2.3
67.20700	0.4
68.01408	11.1
80.01410	0.7
81.02209	0.5
85.02943	0.8
94.02978	2.1
106.43478	0.4
107.03768	0.6
108.04534	2.4
109.73095	0.4
112.58659	0.4
119.58430	0.4
122.06141	1.0
124.04015	2.8
125.02424	1.9
135.42484	0.4
152.77516	0.4
166.05046	2.5
192.28795	0.4
210.04077	100.0
212.85486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.041
Annotation	Betalamic acid
Peak:m/z	Relative Intensity
53.32282	0.2
54.01145	0.2
54.24024	0.2
66.03489	8.4
85.02954	0.3
94.02985	1.4
94.06609	1.4
100.66620	0.2
103.04316	0.3
104.05064	78.8
107.03726	0.4
108.04546	3.2
109.01692	0.5
110.02476	0.6
120.04552	5.6
122.06116	100.0
124.04011	4.1
132.03261	0.3
134.02551	0.4
136.04057	3.4
148.51965	0.3
166.05093	59.0
210.04054	4.8
210.05804	0.3
210.07799	0.3
210.11391	0.6
216.03496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0409
Annotation	DIMBOA
Peak:m/z	Relative Intensity
61.16418	0.6
64.80281	0.6
69.38049	0.6
71.01379	1.5
83.01385	4.6
84.96438	0.6
86.03284	0.7
94.02982	1.1
95.01384	7.1
109.02915	0.7
111.04510	16.3
121.02926	0.8
122.06134	6.8
123.04475	1.5
124.04036	4.4
137.02423	1.3
139.03018	1.4
139.04008	24.0
161.39877	0.7
166.05054	3.1
167.03494	100.0
182.41583	0.7
193.01440	13.1
210.04080	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06319	0.6
56.48046	0.5
64.24365	0.5
70.46553	0.5
71.01390	0.7
77.46697	0.5
83.01380	5.5
85.02950	0.7
86.03290	1.2
90.96220	0.5
95.01367	6.8
111.04517	18.6
121.02927	0.8
123.04475	2.6
124.04057	0.7
137.02452	1.0
139.04019	21.2
167.03500	100.0
176.53920	0.6
193.01424	12.2
210.04099	78.7
213.93681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92659	0.2
65.51300	0.2
66.03476	2.5
77.07404	0.2
78.03485	0.2
89.02150	0.2
94.02971	23.7
98.29594	0.2
109.01692	0.7
124.04030	100.0
136.07709	0.2
136.21153	0.2
139.26784	0.2
141.01779	0.2
148.07602	0.2
150.51878	0.2
166.05095	0.4
200.66298	0.2
210.07733	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03490	2.1
67.53127	0.2
76.33338	0.2
78.03475	0.2
83.29115	0.2
94.02977	22.7
98.50441	0.2
107.91183	0.2
118.06629	0.4
119.56525	0.2
124.04036	100.0
146.91321	0.2
164.88559	0.2
181.61069	0.2
210.07732	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1501
Annotation	3alpha-Isobutyryloxytropane
Peak:m/z	Relative Intensity
52.47277	0.4
52.52106	0.4
55.95597	0.4
58.55885	0.4
61.38896	0.5
62.07687	0.5
72.71532	0.5
94.02971	2.4
124.04030	10.4
130.06808	0.5
145.72786	0.5
193.50429	0.4
202.31287	0.5
210.07733	1.1
210.15009	100.0
210.73021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0249
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
52.26183	0.6
54.04439	0.8
54.06820	0.7
59.01390	6.8
65.09369	0.6
68.01415	0.9
72.31907	0.8
79.01920	0.9
80.99023	0.8
85.02977	1.2
93.03453	1.6
95.05025	4.3
96.96020	13.0
97.02930	0.9
99.00876	26.3
121.02961	1.2
123.04520	19.2
123.05473	1.5
123.08190	0.8
125.02459	1.0
131.07127	1.8
132.40878	0.8
134.03767	1.0
136.01642	1.1
137.02475	3.5
138.03278	0.7
139.04012	19.8
149.02458	4.6
149.06071	1.3
151.04025	5.4
167.03494	54.6
167.07150	1.0
193.05043	4.7
196.02074	0.9
196.03801	1.1
210.05626	3.2
211.02544	100.0
211.04417	10.3
211.06241	8.1
211.13466	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
56.57234	0.4
59.01400	6.2
63.91179	0.4
70.02999	0.5
72.99322	0.8
74.99085	1.0
76.98689	3.4
80.96532	0.7
81.03465	0.8
96.00903	0.7
96.96043	0.7
108.02177	36.4
121.02953	0.6
123.00928	0.8
123.04523	26.1
124.01599	0.7
124.04026	0.6
124.08679	0.6
134.03723	0.7
137.02446	0.9
138.98705	0.9
139.99904	0.9
149.09708	0.6
152.01161	100.0
153.01958	0.9
153.05609	0.6
166.02678	0.6
166.99768	0.6
167.03510	17.1
167.10765	0.6
181.01486	1.0
181.05128	0.9
193.01459	2.7
193.05048	1.1
193.08720	1.0
196.00146	7.7
196.03786	2.0
211.02512	54.1
211.06175	4.4
211.09740	3.0
211.13335	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31952	0.4
56.83266	0.4
59.01385	9.8
63.33021	0.4
72.99288	0.4
79.05525	1.0
95.01380	1.1
95.05000	0.6
96.64032	0.4
103.80522	0.5
107.49243	0.4
108.02174	61.9
109.02908	0.8
111.00864	1.0
123.00875	2.0
123.04518	71.0
124.01646	2.7
134.03712	1.9
137.02434	1.1
139.04030	0.7
151.00432	0.8
151.04050	0.6
152.01152	56.6
152.04768	2.8
153.05544	1.1
163.04039	0.9
165.05569	0.9
166.02702	0.6
167.03500	100.0
178.02605	1.5
181.01425	2.2
181.05051	1.7
193.01578	0.5
193.05081	3.8
196.03790	2.8
211.02509	27.1
211.06151	3.8
211.09705	0.8
211.13377	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0251
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
51.04071	0.5
59.01383	3.8
62.69871	0.6
81.26367	0.6
81.90787	0.6
96.96029	1.2
108.02176	60.9
109.20728	0.6
111.00848	1.3
123.00887	1.1
123.04520	65.5
124.01620	1.2
137.02451	3.0
149.02434	1.3
151.00381	1.1
152.01160	54.2
152.04803	3.8
155.17715	0.6
167.03502	100.0
181.01630	0.6
186.13512	0.7
191.52069	0.7
193.01428	3.6
193.05206	0.8
196.02629	1.1
211.02496	26.5
211.06238	2.6
211.13464	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31429	1.0
56.09232	1.0
59.01367	1.8
61.16172	1.0
69.39924	1.0
70.02986	13.2
74.34798	0.9
77.61974	0.9
86.01992	1.0
92.22830	4.8
95.02493	8.4
96.00903	100.0
98.02480	2.2
114.01959	30.7
117.09424	1.1
117.25904	1.1
121.04089	2.3
123.04539	5.2
123.05637	22.0
124.04036	5.2
125.03564	21.2
125.91870	1.0
130.24362	1.0
149.03571	21.1
167.04614	4.4
193.05089	1.9
196.03548	1.6
211.06099	2.2
211.13472	2.0
232.75977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88692	0.8
57.94732	0.7
59.01376	8.4
65.55580	0.6
66.03905	0.7
70.02978	15.4
78.95924	1.0
82.02988	2.9
85.01789	0.8
90.56738	0.8
95.02512	7.9
96.00907	100.0
98.02483	1.2
112.04014	1.0
114.01955	24.1
121.04077	4.8
123.04517	15.3
123.05635	19.1
124.04030	4.8
124.69002	0.8
125.03551	15.2
125.04379	1.1
134.03708	1.6
148.01685	5.0
149.03558	19.0
149.06120	1.0
153.05565	6.4
163.04016	8.0
166.02719	1.3
167.03441	1.0
167.04645	1.8
181.01559	0.9
181.05038	9.6
181.32527	0.9
196.03748	4.3
211.03830	3.2
211.06177	11.4
211.13388	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20087	0.3
57.16085	0.3
59.01385	4.3
72.99305	3.6
75.81858	0.3
95.05027	0.8
108.46944	0.4
118.80549	0.4
121.02982	0.6
122.03761	0.9
123.04515	100.0
136.12256	0.3
137.02457	0.7
137.44875	0.3
148.01688	0.4
150.03284	0.4
153.05588	0.8
166.02719	0.7
178.80347	0.4
179.03506	0.5
181.01405	4.5
181.05081	0.8
193.05064	0.7
196.03789	8.0
211.06117	12.3
211.13423	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
59.01384	9.3
69.89314	0.9
78.83895	0.9
88.37797	0.9
98.44895	0.9
108.02148	2.4
109.02935	6.0
120.02164	5.3
123.04496	13.2
134.03769	1.7
135.04562	1.2
140.62625	0.9
148.01671	55.3
150.03175	1.1
151.04007	1.3
153.05568	76.1
163.04004	97.4
165.01910	1.5
166.02716	10.5
181.05075	100.0
193.05142	1.1
196.03757	8.6
210.34721	1.0
211.06129	33.6
211.13391	2.3
230.65483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89787	1.2
59.01384	28.7
72.99301	7.3
75.19949	1.1
78.95903	5.3
95.04989	1.4
97.02954	1.4
104.05592	1.2
109.02964	2.0
118.49899	1.2
123.00859	2.7
123.04520	100.0
124.01662	2.7
124.04016	1.4
134.03735	7.5
136.90645	1.2
137.02472	16.6
138.03235	1.4
139.04010	6.2
140.01854	1.8
140.05562	1.2
148.01636	5.1
149.02425	1.9
149.06023	1.7
150.03223	8.2
150.33887	1.2
153.05603	6.2
163.03989	8.7
165.01939	1.9
165.05539	2.1
166.02705	88.3
167.03470	6.3
177.97174	1.4
178.02718	6.7
181.01518	2.5
181.05078	93.6
181.83177	1.1
193.05046	5.3
196.03772	37.4
211.00124	5.0
211.06139	48.2
211.13434	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58900	0.3
50.81030	0.3
53.42251	0.3
59.01385	0.6
68.10451	0.4
71.13155	0.3
78.63084	0.3
95.01391	0.4
98.62440	0.4
123.00877	6.3
144.78354	0.4
153.00679	100.0
168.03024	15.9
196.99655	2.6
200.93015	0.4
206.22586	0.4
212.02011	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62757	0.3
62.40704	0.3
65.67857	0.3
78.17545	0.3
84.04532	0.7
124.04824	0.5
136.66621	0.4
140.10814	100.0
168.10275	2.4
169.08737	3.8
182.72269	0.3
212.09328	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17374	0.2
56.08817	0.3
59.01376	0.4
65.50417	0.3
65.54373	0.3
65.89685	0.3
66.24368	0.3
68.21835	0.3
74.84594	0.3
124.04930	0.5
140.10823	100.0
168.10350	2.7
169.08719	2.7
184.09761	0.6
212.03505	0.5
212.09215	4.6
212.13751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0929
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
50.28954	1.9
53.47321	2.6
54.48920	2.2
93.64500	2.5
96.65831	2.4
97.02950	54.5
97.34468	2.6
112.04069	20.1
124.11296	28.7
138.09244	13.3
140.10835	5.2
168.10292	100.0
212.09320	87.3
226.40886	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1295
Annotation	N-Heptanoylhomoserine lactone
Peak:m/z	Relative Intensity
54.18307	1.4
56.77435	1.7
57.03436	2.3
58.02980	83.7
67.78322	1.8
76.17122	1.7
85.71270	1.8
97.06586	4.6
103.37789	1.8
119.09555	1.8
124.04887	4.0
151.11284	35.6
168.13937	100.0
196.16829	1.9
212.12947	99.2
222.65428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14417	0.4
63.42300	0.4
66.18651	0.4
71.01379	0.5
76.86556	0.5
81.03474	1.0
82.07441	0.5
82.17670	0.5
84.01740	0.5
95.05029	0.6
96.96928	0.8
97.06610	0.6
99.00868	7.0
111.04475	3.9
112.01656	6.4
113.02450	8.0
123.04516	0.6
125.06116	0.9
141.01994	0.7
144.00650	1.0
151.03998	16.7
155.03500	25.6
161.71352	0.5
167.03491	10.4
169.05057	8.5
183.02946	3.7
185.00873	1.0
185.04546	2.2
195.03044	3.4
213.04062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0407
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
51.36158	0.5
57.33741	0.4
60.38419	0.5
68.12814	0.5
73.42479	0.4
81.03465	0.7
83.05036	0.6
90.71147	0.5
93.03436	0.8
99.00872	5.4
101.16877	0.5
104.76899	0.6
111.04495	2.2
112.01672	5.6
113.02447	5.2
123.04538	0.7
141.01929	0.7
144.00610	0.9
151.04022	11.9
155.03499	23.4
167.03519	12.1
169.05052	7.6
183.02983	3.0
185.00899	3.2
185.04601	1.3
195.03043	4.1
210.95070	0.6
213.04070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66696	0.2
69.50240	0.3
70.19932	0.2
72.20063	0.2
75.36557	0.3
81.73049	0.2
84.33691	0.3
95.02544	0.3
97.06602	0.4
119.78416	0.3
123.05687	0.3
151.11275	11.2
169.12343	100.0
180.23759	0.2
195.10269	1.1
197.99167	0.3
213.11343	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
56.08677	0.3
58.19458	0.3
62.14317	0.3
97.06574	0.6
105.37270	0.4
112.25333	0.4
116.57800	0.4
118.59319	0.3
130.00954	0.4
138.90085	0.4
151.11276	11.3
169.12344	100.0
195.10295	0.5
213.11337	15.4
218.21123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03449	2.2
57.03674	0.2
57.16854	0.2
65.39413	0.2
69.03465	0.3
71.05031	0.2
71.33519	0.3
71.34775	0.2
80.78109	0.2
83.05022	0.9
85.06572	1.5
91.49780	0.3
92.00899	0.2
96.09015	0.2
111.08150	1.6
123.08155	17.2
125.09716	4.5
137.09735	3.9
139.11292	67.3
149.09595	0.4
151.11284	9.2
153.09190	0.5
167.10719	2.6
169.12335	6.4
195.10219	0.3
213.11339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
51.18605	1.0
54.13467	1.1
55.19979	1.1
59.01390	2.3
69.03452	3.0
71.05019	77.3
79.82983	1.2
87.04520	2.0
88.70390	1.3
97.02949	6.0
97.06581	6.3
98.86073	1.5
113.09754	1.6
115.04012	19.4
115.07637	14.0
123.05614	2.7
123.08130	1.9
125.09696	5.6
127.11285	56.5
151.11299	9.5
158.34834	1.3
163.03926	1.5
169.12338	100.0
195.10239	1.5
197.99245	3.0
213.05690	1.8
213.11348	34.5
213.14986	17.9
213.18562	3.0
217.91702	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
52.42641	0.6
57.03456	0.7
59.01374	0.8
64.14928	0.4
74.35171	0.4
83.05025	6.7
85.06580	2.3
94.57205	0.5
101.06074	14.3
118.52485	0.5
123.05647	0.7
123.08155	1.9
125.04306	0.7
125.09682	1.1
126.10121	0.8
139.11310	8.3
140.08455	6.5
141.12860	3.9
151.11270	2.5
167.10756	0.5
169.12346	100.0
175.38200	0.5
185.11880	0.9
213.09320	0.9
213.11336	16.6
213.14929	1.1
213.18591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27230	0.3
56.46994	0.3
57.99974	0.3
59.01376	0.6
67.99163	0.4
72.39444	0.3
72.39920	0.3
74.00800	0.3
78.59853	0.3
78.69753	0.3
80.05064	0.3
83.05005	0.7
108.62727	0.4
122.47190	0.4
123.05643	0.9
137.09741	4.2
143.32211	0.3
151.11382	0.6
167.14426	2.0
169.12347	1.8
169.24173	0.3
183.13914	4.7
195.13908	17.7
197.99265	0.8
211.13371	0.7
213.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
68.86225	0.4
70.76294	0.5
77.75486	0.4
83.12803	0.4
104.59106	0.4
169.12350	4.6
183.13908	35.9
195.13916	23.9
207.61485	0.5
211.13380	0.5
213.14986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1861
Annotation	Tridecanoic acid
Peak:m/z	Relative Intensity
63.80817	0.4
79.99790	0.5
95.48257	0.5
97.79045	0.5
125.49879	0.5
135.51210	0.5
169.12306	0.8
171.06769	0.8
197.99182	5.4
213.01608	2.4
213.18614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63235	0.3
56.24399	0.3
59.51374	0.3
73.04063	0.4
74.97070	0.3
80.53671	0.4
169.12370	1.4
197.99156	3.6
213.01537	1.3
213.09146	0.6
213.11401	1.4
213.18619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0722
Annotation	Succinylproline
Peak:m/z	Relative Intensity
51.26133	0.8
59.01386	1.0
59.03733	0.8
60.49882	0.7
62.03107	0.7
64.24599	0.8
67.36741	0.8
69.92473	0.7
96.00891	11.0
96.01311	0.7
100.07660	1.4
109.01691	100.0
114.01973	16.0
116.07185	20.1
119.17224	0.9
126.05542	1.4
126.09227	13.7
128.07127	8.0
142.08717	5.4
143.87189	1.1
145.82283	0.9
152.07172	22.1
154.05096	4.0
170.08298	7.5
186.05644	3.3
196.06168	55.8
214.05078	7.0
214.07239	5.2
234.82356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26133	0.8
59.01386	1.0
59.03733	0.8
60.49882	0.7
62.03107	0.7
64.24599	0.8
67.36741	0.8
69.92473	0.7
96.00891	11.0
96.01311	0.7
100.07660	1.4
109.01691	100.0
114.01973	16.0
116.07185	20.1
119.17224	0.9
126.05542	1.4
126.09227	13.7
128.07127	8.0
142.08717	5.4
143.87189	1.1
145.82283	0.9
152.07172	22.1
154.05096	4.0
170.08298	7.5
186.05644	3.3
196.06168	55.8
214.05078	7.0
214.07239	5.2
234.82356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47131	0.2
57.03450	2.5
63.21891	0.2
69.03440	0.2
70.89787	0.2
83.39573	0.2
97.06583	11.7
123.08167	4.6
125.09713	100.0
142.12386	3.5
168.10284	2.0
169.08694	2.5
186.11360	85.1
187.09770	1.0
214.10867	5.7
214.14445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1086
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.85068	1.0
57.03451	39.7
58.02981	24.4
62.45459	1.4
71.05001	6.8
78.25845	1.2
82.81242	1.2
83.05045	1.8
84.04517	1.4
98.02459	1.9
102.16441	1.2
111.08148	31.1
115.17820	1.4
126.09235	1.9
134.09744	6.2
139.89609	1.6
142.05125	1.8
142.12358	5.4
152.10815	24.6
153.09158	1.5
156.10260	2.4
170.11873	72.6
186.11330	1.7
197.11790	2.4
214.10861	100.0
214.14467	8.1
225.94490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1087
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
58.91214	0.3
60.55360	0.2
69.02612	0.3
72.04549	1.5
73.15581	0.3
79.96730	0.3
130.08736	100.0
142.12378	13.7
152.10834	1.5
168.10278	2.7
170.11821	3.5
179.19156	0.3
214.10870	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1451
Annotation	N-Nonanoylglycine
Peak:m/z	Relative Intensity
52.94123	0.4
54.29203	0.4
58.10748	0.5
58.31483	0.5
63.82561	0.5
66.26290	0.5
75.20769	0.5
87.95566	0.5
125.09707	0.6
140.11607	1.4
144.98514	0.5
153.12854	35.4
170.15509	3.1
196.13470	5.2
197.11848	42.0
204.51457	0.6
214.14510	100.0
215.12895	11.9
222.82182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1451
Annotation	N-Nonanoylglycine
Peak:m/z	Relative Intensity
50.38194	0.6
52.12069	0.5
54.36787	0.6
56.60532	0.5
65.22258	0.6
75.72575	0.6
86.31715	0.6
121.31368	0.6
125.09760	0.9
130.08704	2.5
141.28458	0.6
153.12846	32.2
170.15549	1.3
196.13429	5.4
197.11856	40.0
214.14513	100.0
215.12872	15.8
215.77696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79737	0.5
55.50465	0.5
56.08305	0.6
79.95731	20.6
80.96512	71.6
83.00015	0.7
87.00867	30.5
96.94202	0.9
102.98598	0.9
116.66461	0.6
120.99677	1.2
126.95293	51.1
130.06061	0.6
144.26784	0.7
152.96851	18.5
196.95845	39.8
214.96907	100.0
232.29718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9692
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95724	21.8
80.96513	79.3
87.00867	30.7
95.01523	0.7
96.94239	1.1
102.98598	1.0
103.36893	0.9
106.98068	1.0
120.99618	1.2
126.95290	51.0
135.03035	3.2
136.31218	0.9
152.96860	19.7
153.09052	0.8
177.20166	0.9
196.94005	1.3
196.95845	41.3
205.32677	0.9
213.03696	1.0
214.96915	100.0
215.09302	1.0
215.12900	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35968	0.7
54.30648	0.7
60.33181	0.7
66.83774	0.9
72.99301	2.2
79.95729	21.2
80.96514	66.3
83.05021	5.7
87.00871	28.1
96.94227	1.0
99.00867	1.0
99.04523	3.0
99.07550	0.8
126.95291	47.5
127.03991	5.4
127.07637	1.0
135.04495	1.5
152.96866	15.6
153.05574	1.5
154.69232	1.0
196.95856	37.4
197.11905	1.2
214.96921	100.0
215.01939	5.8
215.09320	1.8
215.12909	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87438	0.5
59.77386	0.6
60.72430	0.7
67.36722	0.6
67.39719	0.6
71.12067	0.7
75.87681	0.6
79.95740	21.2
79.96187	1.2
80.96515	65.5
85.87239	0.7
87.00867	27.8
96.94239	1.1
102.98615	1.2
120.99586	1.0
126.94346	1.5
126.95291	45.9
152.96872	16.1
196.04597	0.7
196.94012	1.2
196.95857	36.9
214.96919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27923	0.4
57.31600	0.3
57.41235	0.3
68.79044	0.3
71.01394	0.3
72.99303	43.8
78.95900	0.6
80.96514	0.4
95.21762	0.4
101.00944	0.8
117.00439	9.4
129.00377	0.4
171.01535	0.8
172.99414	100.0
182.01004	0.4
184.39691	0.4
196.95755	0.5
207.95552	0.4
214.96948	0.9
215.00488	7.2
215.02325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91913	1.3
59.01369	1.6
72.00909	14.3
86.02470	87.0
88.36761	1.5
92.05056	71.4
113.78791	1.7
116.05054	71.9
129.05792	1.6
137.02405	2.0
142.06624	28.1
143.06120	2.1
144.08215	6.3
154.06630	7.8
156.06935	6.6
169.07680	16.0
171.09277	100.0
214.27391	1.8
215.01067	11.7
215.08263	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58717	1.3
57.07441	1.3
68.86022	1.3
70.07329	1.5
72.00909	12.3
86.02470	91.5
92.05054	67.7
95.08339	1.5
102.07826	1.4
116.05056	80.0
140.07626	1.8
142.06618	30.9
143.06126	2.1
144.08244	10.8
154.06583	6.0
156.06934	2.6
168.46355	1.6
169.07651	17.7
171.09280	100.0
210.39404	1.5
215.08273	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0927
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
63.15753	0.8
63.16100	0.9
64.99069	0.9
80.96519	8.9
87.00845	2.5
89.85349	1.1
98.72112	1.2
125.09710	6.7
126.95289	5.8
127.11310	4.0
135.04512	2.3
143.10757	6.7
152.96896	1.5
153.09262	1.6
171.10280	100.0
175.80780	1.3
188.43451	1.0
196.95900	4.6
214.96907	13.7
215.01001	4.4
215.09285	64.5
215.12891	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01384	0.4
69.77755	0.2
71.05010	1.0
74.61747	0.2
87.00867	100.0
127.11282	9.9
153.12854	3.1
197.11855	3.3
215.01076	2.2
215.12866	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44622	0.2
53.97981	0.2
57.03442	1.2
59.01376	0.3
68.87328	0.2
73.02932	0.3
78.79233	0.2
83.04333	0.2
83.05058	0.2
83.40392	0.3
93.03466	0.4
97.06581	1.5
111.08167	0.9
123.08121	0.5
125.09717	13.8
128.88010	0.2
130.67313	0.2
137.02463	0.4
139.11292	16.0
153.12907	1.7
169.14864	0.3
169.16016	4.6
183.10268	6.7
187.09840	0.3
188.76660	0.2
197.11853	2.0
197.15474	2.6
201.11354	2.5
213.14964	1.3
215.01019	5.0
215.12936	10.0
215.16533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.75137	0.3
57.03450	0.6
66.76579	0.3
80.95209	0.3
87.00875	4.0
89.13663	0.4
102.24065	0.3
125.09720	0.7
127.11277	0.5
149.66989	0.4
151.11415	0.5
153.12849	48.4
171.13876	0.6
197.11841	76.4
215.01122	0.5
215.12883	100.0
229.47362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1289
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.46495	0.3
59.01383	0.5
72.02175	0.5
82.67381	0.3
125.09718	1.7
127.11297	2.9
136.27328	0.3
141.12869	1.4
143.10762	0.6
145.06618	2.9
153.12825	0.4
155.10753	1.3
159.34848	0.3
161.09821	0.4
169.12306	1.2
170.34801	0.3
171.10275	11.2
179.10776	1.5
185.11864	1.2
197.11824	6.4
213.11328	4.4
215.01067	6.0
215.12894	100.0
226.32376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25812	1.8
56.97604	1.7
59.01376	3.3
62.61699	1.6
68.86517	1.6
69.03451	2.3
71.01390	2.4
83.35522	1.9
87.00868	8.9
93.03471	3.0
101.99117	1.8
125.09763	2.1
127.11290	2.9
137.02504	2.5
153.12856	23.0
171.10265	7.7
171.13760	2.0
197.11858	61.2
213.11320	2.7
215.00981	31.1
215.12892	100.0
215.14909	4.2
232.28244	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
58.56728	0.5
68.07370	0.6
74.57100	0.6
83.05087	0.6
93.03439	1.0
101.35833	0.7
137.02467	0.8
144.00877	0.7
146.11201	0.8
153.12863	43.0
197.11842	55.9
215.01018	12.6
215.12885	100.0
219.81879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	11R-hydroxy-dodecanoic acid
Peak:m/z	Relative Intensity
59.01383	100.0
71.73707	0.8
72.99334	1.0
85.37675	0.6
92.23078	0.8
92.87745	0.7
93.03473	0.9
96.96033	0.8
102.15669	0.7
116.55582	0.8
133.93747	0.7
137.02458	1.2
153.12859	1.4
162.35486	0.7
169.15929	1.5
171.10327	3.9
190.83319	0.8
197.11806	4.8
214.96855	0.9
215.01010	21.5
215.12938	23.6
215.16495	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.92387	0.5
59.01378	1.1
73.79295	0.5
79.95711	0.7
93.03439	1.3
137.02417	1.0
144.00987	0.6
153.12811	1.1
167.14351	0.8
169.15981	90.5
197.11864	1.5
197.15465	2.1
213.15062	0.6
215.00999	19.9
215.12961	6.2
215.16528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.69823	0.3
72.09756	0.3
83.05021	0.3
91.12505	0.3
93.03434	0.5
98.75340	0.3
125.09713	1.5
137.02432	0.4
139.11266	2.7
141.11256	0.3
153.12854	0.7
169.15997	4.2
180.08664	0.3
183.10260	0.8
197.11865	1.9
197.15497	1.6
213.14787	0.4
215.00951	3.3
215.12971	4.7
215.16533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53253	2.1
57.97574	2.8
58.95854	2.6
59.01390	45.0
61.98831	15.9
64.72882	2.2
82.27575	2.1
83.49396	1.9
86.08669	2.9
98.69106	2.2
106.98274	2.6
127.98081	5.3
144.94716	4.7
147.69618	2.5
171.97034	100.0
187.89722	2.5
215.96004	41.4
216.01320	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71677	13.8
59.50320	12.5
63.47951	14.7
85.93990	15.3
99.00849	33.4
125.06077	100.0
172.04424	27.4
216.03281	20.5
234.18282	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.8
63.38081	18.6
64.59862	17.2
83.16826	20.2
92.23019	27.3
99.00905	50.2
101.39028	19.4
124.25642	20.0
125.06075	100.0
130.09412	20.7
156.10338	30.7
174.79034	22.6
200.99535	20.1
202.88425	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0666
Annotation	etox
Peak:m/z	Relative Intensity
57.68483	0.4
78.66853	0.5
88.04054	1.5
101.81021	0.5
140.96477	0.5
154.05096	0.9
159.02951	0.5
170.04604	1.0
170.08069	0.5
173.04851	0.5
188.07185	29.1
198.09727	0.5
215.05956	4.8
216.06677	100.0
227.53705	0.5
231.11136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69651	0.3
63.30427	0.3
65.54868	0.3
88.04058	0.4
110.78863	0.4
137.09752	0.5
142.12384	9.9
152.10812	3.7
153.09198	4.1
155.10829	4.0
170.04526	0.7
170.11868	58.6
198.11382	0.6
199.09622	0.5
214.10953	0.7
215.54810	0.4
216.12418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1242
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
50.69651	0.3
63.30427	0.3
65.54868	0.3
88.04058	0.4
110.78863	0.4
137.09752	0.5
142.12384	9.9
152.10812	3.7
153.09198	4.1
155.10829	4.0
170.04526	0.7
170.11868	58.6
198.11382	0.6
199.09622	0.5
214.10953	0.7
215.54810	0.4
216.12418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.0
72.04572	1.3
72.99326	1.1
82.02991	3.1
83.05038	1.8
84.04539	1.2
86.02477	3.2
88.04041	1.6
96.92992	0.7
98.02457	4.0
100.04033	1.9
110.02468	3.4
110.06115	20.7
112.00409	3.0
112.04057	8.3
115.00347	1.1
116.07175	14.9
118.05100	1.4
126.05597	6.5
126.09267	1.1
128.07130	3.1
128.10722	1.1
142.12379	6.8
152.10832	4.9
153.09207	3.3
154.01445	3.9
154.05110	13.7
154.08743	3.0
155.10739	4.4
170.10405	1.8
170.11873	56.0
172.02460	1.6
172.06165	9.9
172.09804	5.5
186.11252	1.5
188.03519	1.3
188.07185	6.4
198.04111	5.9
198.07756	1.7
216.01109	0.9
216.03075	2.9
216.05070	2.7
216.06787	18.1
216.12418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1242
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
61.95597	2.9
63.30040	3.7
65.13523	2.9
67.17951	2.9
67.75330	3.6
79.54246	3.0
109.16611	3.7
169.12300	25.7
182.11975	4.5
216.10532	3.9
216.12384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03004	1.0
59.01382	27.8
71.01370	1.1
71.05006	1.2
72.99306	23.9
73.74084	0.7
74.02481	5.3
75.61842	0.9
79.98921	0.8
81.03474	4.4
83.05029	42.2
85.36585	1.1
93.03436	1.9
96.00944	1.3
101.06099	1.1
102.01960	4.8
109.02958	1.4
111.03762	1.7
111.04517	41.0
111.05284	1.8
111.97884	1.2
114.01953	2.0
115.03997	20.8
127.04010	100.0
129.05580	12.1
137.02426	6.5
155.03506	86.8
171.02966	4.6
171.10266	2.0
173.04576	1.5
174.99236	11.4
189.04070	1.8
199.02509	49.5
202.02634	1.2
217.00221	7.0
217.03452	26.5
217.08849	1.2
217.10805	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35324	1.3
52.93166	1.4
59.01368	2.7
72.99301	20.4
83.05021	37.5
93.03427	2.2
111.04508	43.6
115.04004	19.7
127.04010	100.0
129.05585	12.3
137.02428	3.2
155.03505	79.3
171.02919	1.7
199.02515	49.5
217.03532	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46224	1.1
59.01357	1.8
59.07712	1.1
63.25663	1.3
65.17064	1.3
67.05541	1.2
72.99303	36.3
81.03465	1.9
81.21308	1.1
83.05024	48.3
92.23091	2.3
93.03436	1.4
106.50343	1.2
111.04514	33.5
115.03999	28.7
125.09673	1.4
127.04008	91.7
127.11213	1.4
129.05557	11.3
137.02428	4.7
137.09750	1.4
144.36101	1.2
155.03506	71.5
155.10779	43.5
161.09297	1.2
171.02988	6.0
171.10258	47.5
189.04106	2.8
199.02499	34.0
199.09782	6.3
201.61749	1.4
217.03571	34.6
217.10820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28649	1.0
53.53820	1.1
59.01385	2.9
63.01213	1.1
68.31988	1.1
72.99300	24.5
81.03481	2.4
83.05022	49.0
85.53403	1.0
90.78418	1.3
91.17379	1.1
91.24044	1.3
93.03447	4.5
101.03962	1.3
110.56387	1.3
111.04508	46.8
115.04002	24.8
115.63635	1.5
127.04010	100.0
129.05560	11.4
137.02458	5.4
155.03511	84.8
155.04828	1.7
171.03053	3.0
173.04520	6.6
189.04062	2.0
199.02492	50.0
217.03560	31.6
232.91516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84282	0.5
53.11394	0.5
56.87632	0.6
59.01371	1.3
71.05016	2.8
72.99305	28.2
73.35852	0.5
78.79887	0.6
81.03442	4.5
83.05023	52.6
93.03449	1.4
99.04507	0.9
99.97575	0.6
101.02466	0.9
111.04513	35.5
115.04003	28.7
127.04006	100.0
129.05592	9.4
137.02438	5.9
155.03502	82.0
171.03014	4.7
173.04518	1.1
189.04042	4.4
199.02490	40.9
217.03552	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20458	0.9
59.01382	1.9
59.53420	0.8
60.58717	0.8
60.70501	1.0
72.35548	1.0
72.99303	21.6
74.45839	1.0
75.00890	1.2
81.03450	2.3
83.05029	37.4
85.06572	1.7
86.93730	1.0
93.03464	2.1
93.34815	1.2
109.03008	1.0
111.04516	40.8
115.04020	19.6
127.04010	100.0
127.83353	0.9
129.05582	14.0
137.02446	5.6
155.03506	85.6
171.03036	1.7
199.02504	45.9
217.03525	23.8
217.10793	5.1
217.14445	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63307	0.6
57.03452	0.8
59.01384	8.8
69.03459	1.0
70.25468	0.7
71.05006	3.1
72.99304	32.7
81.03448	3.6
83.05022	53.4
84.80845	0.8
85.02966	1.3
93.03446	3.0
95.01343	0.9
95.83614	0.7
97.02943	0.9
99.04509	1.2
109.02895	1.2
111.04516	41.3
113.02424	10.1
115.03234	1.2
115.04006	29.3
125.02477	1.6
127.04005	100.0
129.05559	11.0
137.02461	8.6
139.00337	0.9
139.04066	0.8
139.97635	1.0
155.03497	91.9
157.01424	9.1
168.29578	0.8
171.03041	5.8
173.04504	1.1
173.08257	1.0
174.99290	1.9
177.52213	0.8
189.04039	3.8
199.02499	44.9
217.00195	2.3
217.03535	39.4
217.06895	1.6
217.10860	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.85869	0.5
66.43847	0.5
71.05024	1.0
72.99301	18.7
81.03459	4.3
83.05019	34.9
93.03460	3.1
101.02443	0.6
109.02942	1.2
111.04512	46.2
115.03996	17.6
127.04007	100.0
129.05580	8.9
137.02446	8.4
143.60757	0.5
155.03502	90.5
162.52939	0.6
171.03006	3.4
173.04578	0.7
189.04030	1.2
199.02502	55.1
217.03531	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
62.08714	0.7
62.73039	0.7
66.44685	0.9
70.67925	0.7
72.99305	17.8
73.60100	0.8
81.03440	2.0
81.68698	0.8
82.96635	0.7
83.05022	32.3
85.29178	0.8
93.03455	1.1
109.02927	1.0
111.03764	1.7
111.04510	39.1
111.05274	1.3
115.03998	17.8
127.04003	100.0
129.05586	10.7
137.02458	5.4
152.55257	0.9
154.08090	0.9
155.03499	81.9
171.02983	3.5
173.04648	1.4
189.03960	1.9
194.03880	0.8
199.02493	51.4
208.95665	0.8
213.22438	0.9
217.03528	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51212	1.1
56.60958	1.2
65.70602	1.1
66.37291	1.0
68.01072	1.4
68.49429	1.2
72.99306	26.8
81.03461	1.5
81.18388	1.1
83.05025	49.2
101.02386	2.1
111.04508	32.9
115.04006	28.7
127.04008	100.0
129.05569	8.2
137.02438	2.6
139.91789	1.5
155.03500	74.0
171.02963	6.2
189.04076	5.9
198.57646	1.2
199.02505	44.1
215.79649	1.3
217.03568	40.2
222.60976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17780	0.3
59.01382	2.0
59.58627	0.3
62.54052	0.3
64.43147	0.3
67.40167	0.4
71.05009	4.0
72.98886	0.9
72.99302	29.9
81.03454	3.6
83.05019	49.9
85.06611	0.6
93.03453	1.6
94.98610	0.4
97.02929	0.4
99.04514	0.5
101.02431	0.9
111.04506	36.4
112.40480	0.4
115.03998	32.1
127.04002	100.0
129.05559	9.8
137.02455	5.0
144.64449	0.4
155.03496	79.0
171.02991	5.9
173.04510	1.0
189.04005	3.0
199.02490	46.9
199.04100	1.6
217.03531	24.4
217.06992	2.3
217.10789	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56151	0.7
53.89111	0.5
59.01383	1.6
71.05019	3.6
72.99300	34.9
81.03446	4.1
83.01379	0.8
83.05017	55.0
86.83750	0.6
93.03461	1.8
97.02947	0.8
101.02431	1.2
109.02962	1.6
111.04506	38.3
115.04004	35.9
127.04004	100.0
129.05576	8.1
137.02419	6.6
155.03499	81.1
171.03014	7.6
184.09662	0.8
189.04030	4.1
199.02490	47.1
217.01524	1.5
217.03532	26.1
217.10735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
64.20123	0.7
71.05011	1.6
72.99305	26.8
81.03448	3.5
83.05024	52.9
85.06580	1.0
93.03440	0.8
95.94032	0.7
99.04464	0.9
111.04510	37.2
115.04005	32.9
127.04008	100.0
129.05576	10.0
137.02415	5.7
146.39140	0.9
155.03502	77.1
169.98438	0.9
171.03023	5.9
171.12170	3.0
173.04489	1.1
177.93295	0.8
189.04031	5.2
199.02504	47.2
217.03537	26.4
217.10835	1.5
217.12737	8.7
225.57460	1.0
239.26706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78411	1.8
59.01371	1.9
59.09442	1.7
72.99312	27.5
75.00868	2.1
83.05026	44.6
93.03439	2.4
111.04517	38.6
115.03992	21.8
115.88970	1.9
127.04015	100.0
129.05591	9.4
129.09192	2.3
137.02490	2.7
155.03506	72.2
171.03056	3.0
173.11801	2.6
199.02498	40.7
202.62881	2.1
208.20476	2.0
217.03592	27.2
217.10825	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
60.11298	1.1
67.68880	0.9
71.05006	1.8
72.99306	29.0
81.03457	2.7
83.05020	44.3
93.03434	1.1
109.02936	1.7
111.04511	38.0
115.04015	23.2
127.04009	100.0
129.05577	11.5
130.81761	1.2
137.02444	6.5
155.03500	87.7
171.03006	2.6
189.04100	5.7
199.02487	48.5
217.03560	35.1
228.17035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36303	0.5
59.01388	1.1
63.35059	0.5
71.05018	2.3
72.99303	30.7
75.04764	0.5
81.03464	4.3
83.05024	48.4
85.06565	0.6
93.03454	1.2
93.10692	0.6
97.02966	0.7
105.25647	0.6
109.02951	0.9
111.03760	1.2
111.04519	36.4
115.04002	30.4
127.04010	100.0
129.05582	11.3
137.02467	7.3
155.03505	77.7
171.02983	6.0
173.04599	2.8
174.05612	0.7
184.31229	0.6
189.04076	3.2
199.02501	44.1
217.03526	25.2
217.10817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27758	0.8
58.75541	1.1
59.01373	1.3
60.81979	1.0
72.99306	16.0
81.03466	1.7
82.09274	1.2
83.05017	40.7
87.02270	1.0
87.93599	1.2
92.22615	1.6
92.58855	1.0
99.04495	1.3
100.28169	1.1
105.71671	1.0
109.02921	1.8
111.04501	42.3
115.04001	18.6
127.04001	100.0
129.05580	10.7
137.02449	6.0
155.03497	90.3
156.85233	1.3
171.02986	2.1
189.04028	1.4
199.02481	54.2
217.03516	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68647	1.6
59.18143	1.6
66.71373	1.8
68.38597	1.8
71.01379	22.0
72.99299	46.9
74.19125	1.7
81.03477	2.6
83.05022	63.8
104.03262	1.7
111.04513	29.7
115.00302	2.0
115.03997	32.4
127.04003	100.0
129.05551	15.6
137.02466	3.2
155.03496	81.0
160.02425	1.8
162.29622	1.7
171.03003	9.4
189.04041	2.9
199.02507	52.5
199.06187	3.2
217.03535	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35048	1.0
72.99305	40.3
81.03453	2.3
83.05025	56.2
85.06629	1.2
93.03501	1.5
97.64328	1.3
110.44612	1.3
111.04519	29.7
115.03999	28.7
127.04014	100.0
129.05591	14.3
137.02423	2.5
155.03510	70.1
171.03011	7.8
179.49646	1.3
189.04062	5.5
199.02499	43.0
217.03542	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42778	0.8
54.50761	0.9
55.85151	0.8
55.90474	0.9
59.01399	1.2
62.80335	0.9
66.13902	0.8
71.05002	1.6
72.99312	21.6
81.03458	3.7
81.12569	0.8
83.05030	35.9
91.76295	0.9
93.03450	4.1
97.11761	0.9
109.02946	1.8
111.04520	44.5
115.03992	18.1
118.10508	0.9
124.50230	0.9
126.58092	1.2
127.04016	100.0
129.05560	10.1
137.02448	7.4
142.83289	1.1
155.03514	87.1
169.79289	1.0
171.03059	4.9
189.03986	1.7
199.02515	55.8
217.03497	22.5
231.16193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65559	1.9
67.91949	2.0
71.05031	2.4
72.99304	36.7
81.03448	2.7
81.05797	2.0
83.03239	2.2
83.05021	57.8
103.90577	2.0
111.04505	46.4
115.04004	34.8
126.09203	3.4
126.54428	2.2
127.04017	100.0
129.05565	13.5
137.02464	9.0
137.27104	2.7
155.03505	90.1
170.08257	9.9
171.02995	5.1
189.03993	2.7
199.02492	57.5
217.03572	31.6
229.61153	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
65.64867	1.8
71.01381	7.9
71.05001	3.0
72.99306	36.2
81.03442	3.9
82.91355	1.7
83.05019	60.9
93.03467	2.3
97.02938	2.2
97.10315	1.6
111.04519	43.0
115.03998	32.9
127.04005	100.0
129.05618	13.7
137.02435	6.9
153.44818	1.9
155.03502	83.2
171.02969	3.2
189.04041	2.9
199.02495	42.4
199.19173	1.7
217.03523	36.5
217.10820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97519	1.6
59.01344	1.3
72.99300	34.5
81.03442	2.4
83.05022	62.6
99.04520	1.5
111.04519	31.2
115.03999	39.0
127.04005	100.0
129.05557	11.5
137.02415	2.5
155.03505	72.8
156.19197	1.5
171.02989	9.1
173.04678	1.6
189.04031	6.2
199.02518	41.7
217.03540	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85387	0.9
53.65009	0.8
54.72525	0.7
59.01374	4.3
68.39535	0.8
71.01379	45.5
71.05016	1.0
72.99306	39.0
80.19578	0.9
81.03470	3.9
83.05020	54.0
87.00861	1.3
93.03453	1.5
95.09082	0.9
96.99290	2.3
101.02467	1.0
101.06078	1.7
104.99674	1.0
109.02981	1.1
111.04513	34.2
115.00328	5.3
115.04002	30.9
127.04001	100.0
129.05580	12.4
137.02423	4.2
155.03497	74.3
166.81740	1.0
171.03004	7.9
173.04550	1.6
189.04044	4.5
199.02499	40.3
199.04436	1.6
199.06139	15.2
217.03528	36.2
217.06926	1.0
217.10739	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
64.01562	0.7
69.87267	0.7
71.05010	1.0
72.99303	37.4
78.06593	0.7
81.03471	4.7
83.05020	62.7
93.03452	1.0
99.04544	0.8
99.86086	0.7
101.02409	1.2
111.04516	34.1
115.03218	1.5
115.04000	31.4
119.01572	0.7
125.32504	0.7
127.04005	100.0
129.05577	16.8
137.02425	5.3
141.18910	0.8
155.03499	70.2
171.02980	6.9
173.04590	1.3
189.04037	4.7
189.07510	1.5
199.02493	41.1
217.03548	46.2
217.06735	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55067	0.6
53.31621	0.7
59.01377	1.1
59.87918	0.7
71.05011	3.1
72.99303	28.4
72.99695	1.5
80.20928	0.6
81.03465	1.7
83.05022	50.1
93.03445	1.4
98.67427	0.7
102.14854	0.8
109.02919	1.0
110.78405	0.8
111.04511	39.8
115.03996	29.5
115.04809	0.9
117.93214	0.7
118.28287	0.7
127.04008	100.0
129.05571	9.2
137.02432	5.2
145.01472	1.1
155.03503	76.1
171.02971	5.1
173.04553	1.1
189.04022	3.4
199.02493	44.9
217.03540	23.4
217.10788	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24884	0.9
59.01345	1.1
71.05007	2.5
72.99305	30.7
75.44548	0.9
81.03497	0.9
83.05023	50.6
90.61199	1.0
93.03436	1.1
97.02940	1.0
108.18976	0.9
111.04504	33.9
112.42713	1.0
115.04001	31.4
127.04008	100.0
129.05569	11.1
137.02437	4.7
155.03503	77.0
162.23596	1.1
171.02980	7.7
189.04066	1.6
197.24953	1.0
199.02501	51.3
217.03531	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84103	1.0
55.10055	1.0
58.41754	0.9
59.01381	1.8
67.09080	1.2
69.29794	0.9
72.99303	23.3
75.00864	7.2
79.95753	1.2
81.03445	5.9
83.05019	38.6
84.81226	1.2
93.03447	5.1
104.10426	1.3
111.04509	46.6
115.04001	14.3
119.87258	1.2
120.35511	1.2
127.04008	100.0
129.05562	10.8
137.02429	6.4
155.03502	88.6
171.03012	2.1
173.04501	1.5
199.02484	55.8
217.03534	26.4
217.10794	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58648	0.4
57.03450	0.8
59.01379	5.7
62.98332	0.5
83.05006	0.8
85.02949	100.0
87.00869	0.5
127.03992	2.2
131.05003	1.0
136.39177	0.6
142.20966	0.6
147.08189	2.9
155.03526	1.0
174.99216	0.9
175.07623	4.9
195.02214	0.6
199.02460	0.8
216.98013	0.7
217.05231	0.7
217.08723	16.1
217.14420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03451	5.3
58.91388	0.2
59.01376	1.1
65.28743	0.2
72.99301	1.3
83.01382	0.9
83.05026	3.9
85.02950	100.0
88.85959	0.3
91.33903	0.2
91.61380	0.2
94.29564	0.2
111.04539	2.5
113.06087	0.2
115.04018	1.8
119.05011	1.4
127.04011	7.0
129.05579	0.6
131.05025	1.0
131.07140	1.5
132.05826	1.2
133.06630	1.7
141.09212	0.4
153.09175	0.3
155.03502	5.7
155.10782	2.4
157.08778	0.4
161.40923	0.2
171.10275	2.6
171.12285	0.4
173.04623	0.2
189.04019	0.3
199.02518	2.8
199.07629	0.2
199.09735	0.4
202.02754	0.3
217.03577	2.1
217.08719	34.6
217.10818	7.9
217.14291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.36769	0.3
52.38811	0.5
52.49690	0.4
59.01373	3.3
69.18478	0.4
80.34850	0.4
85.45127	0.5
127.11234	1.1
130.08873	0.4
137.09734	3.2
154.10606	0.5
155.10777	38.0
165.92807	0.5
171.10268	49.6
174.99294	0.9
199.09718	5.9
210.37450	0.5
217.00261	0.8
217.10814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.40647	0.5
59.01382	3.8
70.02975	6.5
71.01382	15.0
71.05017	7.3
72.00910	12.4
72.99299	1.4
84.04542	4.1
86.06116	1.2
88.04036	72.8
96.00907	100.0
96.04540	6.7
96.99306	5.3
99.04523	1.4
102.05611	19.0
102.22397	0.6
112.07683	7.3
114.01951	11.8
114.05606	4.7
115.00343	1.5
115.20410	0.6
116.07162	2.3
129.05576	0.7
138.05612	2.5
146.08234	42.9
156.06654	5.1
158.04584	28.9
174.05644	1.0
182.04611	48.1
200.05664	10.1
208.33250	0.6
218.04712	0.6
218.06798	15.9
218.10312	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
64.52769	0.5
66.54346	0.5
70.02970	5.6
71.01381	10.4
71.05023	2.4
71.74609	0.6
72.00911	11.7
72.99310	3.1
84.04563	3.4
85.69695	0.5
86.26030	0.6
88.04045	22.2
96.00913	100.0
96.04550	6.9
96.99273	5.0
102.05609	16.0
112.07690	6.0
114.01975	12.4
114.05610	3.0
115.00375	1.4
124.00692	0.6
138.05589	1.4
146.08228	14.6
156.06656	5.2
158.04591	33.0
174.05602	0.8
182.04613	46.1
200.05641	10.5
218.06718	13.6
218.10202	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0822
Annotation	N-Methylswietenidine B
Peak:m/z	Relative Intensity
60.49023	0.3
60.67966	0.4
63.50037	0.3
63.57156	0.4
77.38504	0.4
82.02999	4.8
115.73978	0.5
135.04509	2.4
154.01022	0.5
162.05630	1.8
167.22131	0.5
188.07265	0.8
216.06679	1.7
218.08243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0823
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
54.27806	1.6
70.02982	49.0
80.42509	2.1
82.02980	26.9
89.80776	2.1
90.99638	2.2
91.05526	100.0
100.41360	2.1
118.06629	36.8
135.04533	3.5
147.04504	20.4
163.75517	2.6
174.09222	48.5
176.28874	2.0
218.08240	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1031
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.96992	0.3
54.41441	0.3
58.67950	0.4
59.01377	1.4
70.02977	0.4
71.01373	11.9
71.05013	12.7
71.05413	0.5
72.00899	2.8
72.04553	0.5
72.99243	0.3
80.05080	0.3
88.04029	100.0
96.00903	13.2
96.04537	0.8
96.99277	0.4
99.04504	3.5
102.05599	1.9
104.80914	0.3
112.07652	0.5
114.01956	1.7
114.05566	0.5
116.03545	0.6
116.07175	2.4
129.05571	1.8
146.08223	66.0
156.06668	0.6
158.04575	3.7
169.00804	0.4
174.05609	2.6
182.04602	5.7
200.05713	1.6
218.06728	2.3
218.10321	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53022	37.4
58.59330	42.7
62.78913	41.3
81.56493	44.3
101.39384	45.3
124.88535	41.0
128.04335	63.4
155.03551	63.3
156.03868	100.0
156.10295	69.8
166.69475	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	64.7
64.74261	3.3
71.01382	100.0
72.99294	9.2
78.95908	18.8
93.81200	3.4
103.00388	4.5
105.45904	4.9
115.00372	34.5
117.29114	3.4
127.45715	3.8
133.01411	41.3
133.05014	5.7
175.04050	4.7
197.04611	5.2
216.69017	3.9
218.04713	5.1
219.03198	12.8
219.05229	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0299
Annotation	PURPUROGALLIN
Peak:m/z	Relative Intensity
68.81522	0.3
97.91473	0.3
101.81454	0.4
117.03463	0.7
118.18451	0.3
119.05008	1.3
135.04500	1.7
145.02960	4.4
145.22580	0.4
147.04514	2.7
160.22827	0.3
163.03969	2.8
173.02440	10.4
174.03267	0.4
175.04027	3.1
190.02722	1.5
191.03520	30.7
201.01981	3.6
204.04291	0.5
212.18210	0.3
216.25273	0.3
219.03001	100.0
226.71425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30154	0.5
56.45965	0.6
56.53859	0.5
57.03450	13.2
59.01381	100.0
64.15585	0.5
71.01379	4.2
72.00251	0.6
73.02938	0.6
82.50530	0.6
83.05037	0.8
83.92976	0.5
85.02946	19.9
87.00852	1.0
87.04514	3.4
97.02937	2.5
103.00368	38.1
103.04004	16.0
111.80680	0.6
115.04012	2.6
120.99644	1.4
129.01936	69.8
133.05066	55.9
137.65179	0.6
139.03943	0.6
141.01920	2.3
146.00645	0.6
147.06570	0.7
157.07614	0.9
159.03023	0.7
174.89659	0.6
219.03008	1.2
219.05031	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28514	0.4
57.03456	0.9
59.01381	100.0
65.18589	0.5
69.17440	0.5
69.77024	0.5
72.99262	0.7
75.00848	1.0
82.77303	0.6
85.02940	3.5
103.00368	43.6
103.04004	16.9
103.04691	0.8
107.43919	0.5
115.03982	0.8
133.05066	55.1
201.83734	0.6
219.05009	0.6
219.08783	1.3
219.12334	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05156	0.2
56.26589	0.2
57.03448	0.4
59.01381	100.0
60.54256	0.2
85.02947	3.0
97.02940	0.4
101.02431	0.5
103.00368	40.7
103.04006	16.0
115.04026	2.1
133.05064	53.3
172.66272	0.3
219.04166	0.4
219.07634	0.3
219.12131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.139
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.30064	0.4
50.85775	0.5
95.52017	0.5
101.95527	0.5
111.04505	2.5
125.06071	1.0
161.09764	2.3
163.07666	2.7
164.63939	0.6
177.12827	0.5
186.10588	0.6
201.12895	8.9
203.10838	2.7
204.11557	24.9
219.13908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.4
60.01716	3.3
69.03447	5.3
70.02949	0.8
71.01379	13.5
72.00912	6.9
72.99300	3.5
74.02467	8.3
74.19866	0.7
84.04536	3.1
86.02461	6.6
88.04063	1.0
96.00938	1.5
96.04543	32.9
98.02470	13.1
98.49695	0.7
100.04040	0.9
103.00349	2.8
104.00709	3.3
104.03534	100.0
105.69214	0.8
109.62112	0.7
110.02471	4.7
111.49181	0.7
112.04038	13.1
114.01965	4.7
114.05599	3.1
115.00362	7.6
116.03573	6.1
116.04237	0.9
119.80237	0.6
123.80866	0.7
127.78058	0.7
128.03551	3.4
130.38467	0.7
133.01418	17.2
133.05014	1.3
134.05399	6.0
140.03532	29.0
154.01440	10.5
158.04596	16.0
160.02536	2.7
172.02446	1.3
176.07239	0.8
184.02525	31.8
202.03595	20.5
217.92107	0.7
220.04521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.9
59.01684	1.4
60.01720	13.0
64.61240	0.8
68.05030	1.0
69.03452	5.3
70.02996	0.8
71.01376	14.2
72.00913	5.9
72.99308	1.9
74.02465	8.3
82.02976	0.8
82.37051	0.7
84.04547	1.8
84.36964	0.8
86.02480	8.7
88.04077	0.8
96.00935	1.3
96.04544	36.2
98.02478	14.4
99.74860	0.8
100.04033	1.4
101.18916	0.7
103.00367	15.2
103.04017	5.0
104.00703	10.8
104.03537	100.0
104.04314	4.4
109.91219	0.7
110.02449	5.7
112.04039	13.3
114.01945	6.8
114.05605	3.4
115.00346	8.5
116.03565	5.8
116.04228	0.9
127.89905	0.8
128.03548	3.8
133.01436	19.1
133.05066	13.6
134.05400	19.6
140.03542	31.4
154.01459	12.1
158.04576	17.6
160.02534	1.9
172.02521	3.3
176.07193	15.7
184.02518	32.6
192.92857	0.8
202.03564	24.0
202.04961	1.6
220.04411	1.6
220.06120	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0617
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
51.50152	0.4
53.05262	0.4
53.55584	0.3
54.41564	0.3
54.79676	0.3
61.45681	0.4
64.29804	0.4
69.03458	19.3
86.39181	0.4
91.01911	2.0
107.03780	5.8
108.04549	2.4
148.07674	0.9
151.02777	2.1
176.07182	100.0
207.09305	0.4
220.06171	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21056	0.6
50.84592	0.6
52.01861	0.7
52.77424	0.6
53.61504	0.8
59.01380	12.0
60.01708	3.8
72.04549	7.9
72.37720	0.6
79.63375	0.8
82.02982	100.0
87.92887	0.7
98.02473	1.3
100.04042	40.7
100.04714	1.4
103.00370	3.8
104.00703	2.9
104.04330	0.8
119.05015	32.8
133.05054	3.2
134.05389	5.6
151.99158	0.7
165.40695	0.8
176.03436	1.4
192.10339	1.6
219.96149	0.8
220.06328	1.1
220.09819	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.098
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
50.05368	0.7
72.00894	1.7
72.04545	26.0
83.84731	0.8
84.04542	22.2
91.05526	37.0
98.02479	7.4
147.04517	42.1
164.07178	100.0
176.07153	1.2
202.08792	11.8
220.09796	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0092
Annotation	Mompain
Peak:m/z	Relative Intensity
59.01378	3.0
75.37983	0.6
77.98287	0.6
92.22507	1.2
95.39335	0.6
103.22206	0.6
105.03452	2.8
121.02950	13.6
123.04497	0.7
133.02939	6.6
149.02437	47.9
162.03188	1.0
177.01933	100.0
193.01425	79.0
206.02115	0.7
221.00917	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31659	0.3
57.03430	1.6
59.01386	2.3
66.01092	1.5
69.03442	0.3
71.01363	2.1
72.99297	1.6
85.02921	0.6
87.00893	0.4
87.04498	0.3
89.02433	0.7
94.00603	0.6
97.02935	1.6
108.83097	0.3
113.02413	0.5
115.04006	0.3
129.01942	12.9
133.01436	1.0
133.06523	0.3
141.01984	3.2
149.99582	5.9
159.02994	0.5
177.99084	21.1
193.01437	1.2
195.62317	0.3
203.01991	1.1
205.98581	100.0
218.99556	0.3
221.00937	17.2
221.04401	0.5
221.11931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.30085	0.5
59.01382	8.6
69.03446	7.8
71.01363	0.6
71.05015	0.9
72.99301	15.6
76.12621	0.7
81.03461	0.9
84.02152	1.1
84.41254	0.5
85.02940	2.7
87.00861	1.5
94.02947	0.6
95.01398	0.7
97.02946	50.7
99.00881	4.2
105.25059	0.6
111.00848	3.6
113.02450	23.9
115.03989	12.8
119.32809	0.8
124.04025	1.5
129.01950	1.1
131.03506	10.2
137.28094	0.7
141.01945	100.0
142.99919	2.2
159.02989	13.6
161.00925	1.5
161.04584	1.1
177.01947	0.7
177.07507	1.2
185.00883	5.2
191.03600	0.9
203.01999	46.9
221.02937	5.8
221.06461	2.8
228.84900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.30085	0.5
59.01382	8.6
69.03446	7.8
71.01363	0.6
71.05015	0.9
72.99301	15.6
76.12621	0.7
81.03461	0.9
84.02152	1.1
84.41254	0.5
85.02940	2.7
87.00861	1.5
94.02947	0.6
95.01398	0.7
97.02946	50.7
99.00881	4.2
105.25059	0.6
111.00848	3.6
113.02450	23.9
115.03989	12.8
119.32809	0.8
124.04025	1.5
129.01950	1.1
131.03506	10.2
137.28094	0.7
141.01945	100.0
142.99919	2.2
159.02989	13.6
161.00925	1.5
161.04584	1.1
177.01947	0.7
177.07507	1.2
185.00883	5.2
191.03600	0.9
203.01999	46.9
221.02937	5.8
221.06461	2.8
228.84900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41664	0.6
54.09908	0.6
55.01888	1.5
57.03443	3.8
59.01382	18.8
59.28927	0.6
65.04581	0.7
69.03451	8.3
70.37012	0.7
71.01378	6.1
71.05018	1.6
72.99304	18.7
75.00867	6.2
81.03472	1.2
84.02188	0.8
85.02946	3.8
87.00874	6.1
87.04520	1.8
89.02408	0.9
95.01378	0.9
97.02944	52.8
98.00144	0.8
99.00861	7.2
99.04520	1.1
104.31391	0.8
105.01914	1.3
111.00889	1.9
113.02447	26.6
115.03989	14.1
125.99545	3.5
129.01938	31.1
131.03487	9.6
133.01405	3.1
141.01944	100.0
142.99867	1.7
143.03447	1.4
159.02974	15.4
161.00945	1.8
161.04559	4.7
163.04071	1.0
165.09119	1.4
177.05540	1.0
177.99066	1.0
185.00967	4.8
191.03529	1.6
203.01979	51.4
205.98529	5.2
206.05836	4.5
221.01076	1.1
221.03088	6.6
221.06526	1.9
221.08376	1.3
221.10260	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18060	0.5
57.03455	9.9
59.01384	11.2
69.03458	3.0
71.01383	16.8
72.99303	7.7
75.00878	1.9
85.02961	7.7
87.00864	4.7
87.04514	4.2
89.02451	7.3
97.02951	8.4
99.00821	0.5
101.02480	0.6
103.69839	0.5
105.01910	0.6
113.02427	2.4
115.00359	0.8
115.04000	2.2
124.04055	0.7
125.99596	2.2
129.01941	100.0
131.03479	0.9
133.01443	9.9
141.01947	16.4
152.03204	0.8
159.03029	7.1
185.00943	0.6
203.01990	8.2
205.98563	2.6
206.05882	1.0
221.02998	2.9
221.06473	5.9
221.08316	1.7
221.10114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04081	0.6
55.01886	0.8
59.01384	7.4
63.58176	0.7
65.18989	0.7
69.03436	6.3
71.01380	1.1
71.05017	0.8
72.99302	19.0
75.00867	6.5
81.52511	0.7
84.02215	1.0
85.02941	1.7
86.23270	0.8
87.00890	1.4
95.01436	1.0
97.02942	55.8
99.00883	5.4
111.00879	3.3
113.02447	25.2
115.03996	14.8
126.45248	0.8
129.01950	1.8
131.03497	10.8
141.01942	100.0
142.99838	2.0
149.99588	4.3
159.02965	16.7
161.00916	3.9
177.01900	1.6
177.99084	14.0
185.00931	4.4
203.01990	54.3
205.98579	63.5
221.00925	13.5
221.03032	8.2
221.10373	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79688	0.4
52.09808	0.4
57.03449	9.6
59.01389	6.9
67.49980	0.6
69.03451	1.1
70.30552	0.4
71.01379	13.5
72.99297	4.3
73.69065	0.5
75.00870	2.2
85.02952	5.3
87.00867	4.1
87.04517	3.1
88.97022	0.5
89.02446	6.8
92.89312	0.5
97.02950	6.2
105.88819	0.5
111.00900	0.8
113.02430	1.1
115.00391	0.5
115.03976	1.0
125.62566	0.5
129.01939	79.4
133.01439	6.2
141.01945	12.5
149.99605	4.8
159.02991	6.1
177.01909	1.1
177.99086	19.1
193.01353	0.6
203.02014	6.0
205.98581	100.0
221.00946	15.5
221.02950	1.6
221.10361	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51016	0.5
59.01362	2.9
59.54757	0.4
62.00235	0.5
65.78902	0.5
66.51037	0.5
69.53873	0.4
103.89584	0.5
107.01330	0.9
113.71764	0.5
119.83598	0.5
135.00937	1.9
150.03200	0.6
155.41891	0.5
162.03241	0.6
163.00363	6.9
177.01941	2.5
190.99867	77.8
206.02211	100.0
206.05894	2.2
221.01134	0.9
221.04561	27.5
221.18373	0.5
236.07056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	7,8-Dimethoxy-6-hydroxycoumarin
Peak:m/z	Relative Intensity
59.01367	0.2
61.21442	0.1
65.14404	0.2
65.39100	0.1
74.56424	0.2
86.10480	0.2
106.04253	0.3
120.02171	0.2
121.25836	0.2
133.02974	0.3
134.03728	1.9
161.02472	0.4
162.03230	100.0
163.03975	0.3
177.01971	0.4
177.05576	12.2
206.02238	6.3
221.04564	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	7,8-Dimethoxy-6-hydroxycoumarin
Peak:m/z	Relative Intensity
50.60539	0.4
59.01387	8.3
65.60810	0.4
72.29205	0.5
74.89359	0.4
77.28446	0.4
89.67429	0.4
94.17676	0.4
97.62591	0.4
110.22977	0.4
124.04073	2.1
129.01932	0.6
134.00117	1.0
134.03786	0.9
161.02452	0.6
162.03229	100.0
166.79321	0.5
177.01941	2.0
177.05576	14.2
177.99101	2.4
178.04747	0.8
193.01431	5.7
193.07037	0.7
205.98355	0.6
206.02231	6.3
220.98851	0.9
221.00992	20.9
221.04532	31.6
221.11665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
53.35308	0.4
57.03449	0.8
59.01107	0.8
59.01384	19.5
60.58131	0.5
63.08860	0.5
67.60377	0.5
68.08597	0.5
71.01381	6.4
72.99305	2.3
73.02938	4.4
75.00866	12.3
81.03441	1.2
83.05040	1.0
85.02943	7.7
86.66708	0.5
87.00861	11.6
87.04488	1.2
89.02441	2.6
91.04102	0.6
92.13701	0.7
93.03442	3.9
97.02959	4.9
97.06600	0.7
99.00877	3.4
99.04527	5.3
101.02424	5.3
103.00356	0.6
109.02942	4.0
111.04514	6.3
113.02438	5.4
115.04019	3.8
117.01941	5.4
121.02991	1.0
123.04519	7.8
124.04052	1.4
125.02387	0.8
127.04002	7.4
129.01913	5.6
131.03474	4.9
133.02982	0.8
141.01953	5.9
141.05569	3.3
143.03487	3.9
155.03473	1.2
157.05035	0.8
159.03024	0.8
159.06589	0.9
161.04584	4.7
171.03085	0.7
173.04619	6.2
177.01878	0.6
191.05644	7.7
192.94093	0.6
203.02000	2.7
203.05684	5.5
210.20869	0.6
221.06683	100.0
226.75549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.082
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
54.19246	1.5
57.09524	1.6
59.01381	51.9
64.79000	1.5
69.03457	42.2
69.80232	1.5
71.05016	100.0
73.02961	1.6
75.02356	1.7
75.77235	1.7
76.05501	1.7
79.05519	3.6
79.95730	2.7
85.02961	2.5
94.02990	9.4
107.05033	2.6
109.96194	2.3
121.02940	44.1
124.04034	29.4
133.02945	9.8
133.10211	8.8
133.46687	1.9
134.03720	21.9
147.00888	12.1
147.08191	2.5
149.09706	13.9
161.04527	2.6
165.01886	3.2
165.09280	13.8
177.01979	2.5
177.09224	29.5
206.05858	58.3
221.08252	55.9
221.11934	10.1
221.15332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
79.95695	0.6
83.21722	0.3
92.22507	0.5
96.95998	42.1
107.14338	0.3
141.02000	0.4
169.26544	0.3
171.79128	0.3
186.66710	0.3
221.08528	100.0
227.53769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83157	0.5
55.44129	0.5
57.87442	0.5
59.01152	0.6
59.01390	10.8
64.77141	0.6
69.03889	0.5
70.72028	0.6
76.57411	0.5
79.95737	77.0
80.21825	0.6
80.96507	7.5
80.96890	0.5
94.02944	0.7
119.09830	0.6
124.04047	7.6
127.11257	0.9
141.12845	8.1
151.19170	0.5
157.12312	2.3
162.83847	0.7
178.98607	0.7
193.08990	1.1
193.55754	0.5
198.76582	0.6
221.08548	100.0
221.15453	9.1
230.10104	0.6
234.68294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83989	0.3
59.01140	0.4
59.01383	6.0
60.63316	0.3
67.15898	0.3
68.24708	0.4
71.01347	0.3
73.02953	0.4
75.66991	0.3
79.95712	0.6
84.75864	0.3
85.76994	0.3
91.65887	0.4
96.96001	44.6
101.02402	0.4
124.04028	2.2
127.99382	0.3
137.80119	0.4
162.03180	0.5
190.99799	0.4
206.02333	0.4
221.08539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58696	0.3
57.34283	0.3
59.01383	6.0
73.02944	0.4
73.03760	0.3
79.95750	0.5
94.02985	0.8
96.96005	43.8
97.02970	0.5
124.04030	2.9
129.01904	0.6
131.03465	0.4
141.01944	0.5
161.04544	0.8
162.03299	0.6
167.86040	0.3
177.02138	0.4
177.99080	0.5
193.04843	1.3
205.98560	4.2
206.02206	2.3
221.00987	1.2
221.04439	3.9
221.08539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1185
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.18830	2.5
59.01102	4.9
59.01384	100.0
63.37793	2.6
63.63176	2.8
69.03455	65.5
71.01389	4.1
77.94966	3.6
94.02978	19.8
95.05015	30.6
97.02950	4.0
99.17440	3.3
121.10235	18.4
123.08148	4.8
124.04029	53.2
133.10205	3.8
159.11795	18.1
175.11290	4.6
177.09207	6.8
177.12886	51.6
193.12303	14.0
203.10872	23.9
221.08179	4.0
221.11777	66.3
221.15376	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1184
Annotation	Annuionone B
Peak:m/z	Relative Intensity
50.69201	0.3
53.24764	0.4
55.86011	0.3
57.03427	0.4
59.01382	8.3
67.34461	0.4
69.03442	0.7
70.74286	0.3
71.01373	0.8
73.02944	2.1
75.00864	2.2
75.37172	0.4
78.17657	0.4
79.47171	0.5
80.45927	0.4
93.03468	0.6
93.07061	0.5
95.05019	1.8
99.25800	0.4
101.02444	0.9
108.02183	2.2
109.02936	1.1
110.03748	0.8
116.09950	0.4
118.25959	0.4
121.06570	0.8
122.03737	0.8
123.04510	4.1
124.04033	1.6
125.06030	1.7
133.02960	0.5
135.06917	0.5
136.05254	0.6
138.06870	0.7
145.02934	3.1
145.27864	0.5
149.06065	1.8
151.07646	1.7
155.67569	0.4
161.09734	10.0
163.07594	0.7
164.08499	1.0
165.05560	1.7
165.09236	4.3
170.05920	1.9
172.18239	0.4
177.01953	0.8
177.05573	0.9
177.09155	1.0
177.12883	4.3
178.10007	5.7
179.10785	16.3
186.86656	0.5
188.08481	0.5
191.07161	0.8
203.10786	6.6
206.02196	0.8
206.09497	38.4
221.11844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
59.01383	26.9
63.90572	1.1
71.05021	1.0
74.78632	1.0
79.03176	1.1
79.12363	1.0
79.95729	7.8
84.31324	1.0
85.53753	1.1
86.43118	1.1
92.22964	1.1
94.02959	1.8
97.02955	1.3
97.13216	1.0
108.72100	1.1
110.33583	1.3
124.04036	5.6
136.98767	2.6
151.00252	1.4
176.98039	6.7
177.16487	2.5
192.30438	1.3
206.02261	1.5
206.09390	4.3
220.97084	1.8
221.08476	11.1
221.11823	6.2
221.15468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	Kobusone
Peak:m/z	Relative Intensity
53.76597	1.4
54.00605	1.1
56.87365	1.3
59.01153	1.2
59.01390	23.4
64.16888	1.3
67.92587	1.3
68.23663	1.5
68.86565	1.2
69.68234	1.4
71.61467	1.3
78.53506	1.3
83.51294	1.3
87.30345	1.5
112.09112	1.4
114.54365	1.6
124.04019	8.1
177.16486	2.6
219.13921	1.5
221.08224	1.6
221.12032	2.9
221.15474	100.0
241.73528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01116	1.3
59.01389	31.1
61.28624	1.4
71.54640	1.2
77.49585	1.5
79.95704	1.6
94.02979	5.8
96.96009	2.8
124.04034	18.8
124.21526	1.5
140.52336	1.4
149.13362	1.8
150.61354	1.5
174.31598	1.5
177.16476	3.5
203.14433	2.8
221.15485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0409
Annotation	7,8-Dihydro-7,8-dihydroxykynurenate
Peak:m/z	Relative Intensity
50.29290	0.3
70.12228	0.5
96.95950	2.9
98.40536	0.5
104.11714	0.4
105.03362	0.7
107.01339	0.8
109.08904	0.6
117.02718	0.6
117.03467	16.6
118.02914	2.0
123.04514	0.6
133.02954	7.4
134.02467	0.8
150.01950	0.5
151.02847	0.5
161.01126	0.7
161.02414	2.0
167.66249	0.5
173.87439	0.5
179.02180	3.3
179.03520	4.7
190.01495	4.7
207.01738	100.0
222.04092	45.7
222.08633	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22142	1.2
71.51405	1.3
74.02469	100.0
79.40382	1.4
86.02473	28.9
91.05495	10.8
105.01913	1.8
106.02289	1.8
111.48962	1.1
116.00706	1.3
132.08192	15.6
142.02264	2.5
147.04524	86.0
149.06065	12.8
160.07692	6.6
164.07152	4.9
176.07187	4.8
178.08746	32.4
180.06673	1.5
193.59528	1.5
200.55095	1.3
204.06685	1.8
222.04099	6.0
222.07718	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
60.01739	0.8
72.00904	1.1
72.40863	1.0
74.02470	99.6
78.98592	3.0
86.02472	28.8
91.05521	10.5
91.68968	0.8
108.10646	0.8
117.07083	0.9
122.98823	0.7
130.89444	0.8
132.08182	16.5
134.06932	8.2
135.04494	0.8
143.03188	0.7
147.04520	78.1
149.06073	12.5
151.00069	0.8
160.07651	5.9
164.07195	5.0
176.07179	5.6
178.08725	38.1
192.02986	1.0
204.02371	1.4
204.06741	3.1
222.07726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0771
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
60.05697	1.4
60.87973	1.0
74.02467	100.0
86.02473	31.3
91.05524	6.8
92.23094	2.4
96.93212	1.4
101.95319	1.3
102.58382	1.2
111.15771	1.5
132.08159	14.3
147.04520	74.8
149.06067	8.0
151.05104	2.3
160.07709	5.7
161.98837	1.4
164.07198	5.3
173.83267	1.3
176.07129	6.2
178.08733	33.8
204.06801	2.3
222.07733	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68553	1.0
59.01383	1.2
59.49981	1.2
74.02470	100.0
86.02473	35.0
90.76161	1.2
91.05533	10.9
93.79094	1.6
106.60977	1.5
108.04564	2.8
120.09629	1.3
132.08188	15.7
147.04521	77.2
149.06053	10.1
152.03516	7.9
160.07672	2.2
164.07162	3.0
169.91872	1.2
175.55562	1.2
176.07196	3.2
178.08755	36.7
181.24960	1.2
192.02994	1.2
194.04541	3.3
204.06694	2.2
204.92532	1.5
207.02667	1.5
213.01758	1.5
222.04413	9.6
222.07713	96.0
236.06459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1137
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
54.52623	0.5
57.24195	0.5
70.49595	0.5
76.84952	0.5
80.44125	0.5
92.23193	0.6
107.03765	100.0
108.04528	3.5
144.49760	0.6
151.02742	26.3
167.94598	0.7
176.10809	1.2
178.12373	86.9
207.02803	0.9
222.11363	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1136
Annotation	Stemoamide
Peak:m/z	Relative Intensity
69.07677	0.6
71.20573	0.5
91.39798	0.5
107.03767	100.0
108.04556	0.7
151.02744	22.6
176.10814	3.8
178.12372	90.0
192.72299	0.5
222.11363	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0248
Annotation	2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Peak:m/z	Relative Intensity
51.67033	0.5
51.80557	0.5
52.72377	0.4
77.91833	0.5
91.30085	0.6
93.99922	0.5
94.02991	0.7
96.95993	0.7
107.05029	1.1
109.02929	1.4
123.04520	8.0
127.22830	0.5
133.30498	0.6
134.03770	2.2
135.04529	100.0
137.02487	1.3
149.02426	7.5
150.03233	0.7
151.04013	21.7
155.95059	0.7
161.02451	12.2
165.01988	1.1
179.03510	69.8
207.96104	0.7
223.02504	56.7
239.35201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.025
Annotation	2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Peak:m/z	Relative Intensity
50.89832	0.6
55.92472	0.6
62.29806	0.6
65.25790	0.6
92.22828	1.1
93.03434	0.8
107.05006	1.3
109.02934	1.0
123.04523	7.3
134.03740	3.2
135.04532	100.0
137.02472	1.2
139.38004	0.7
145.02621	0.7
149.02434	6.2
150.03143	0.7
151.04002	25.5
161.02448	12.7
179.03510	75.4
223.02496	62.8
226.42268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03452	13.8
59.01389	7.3
63.23371	0.8
68.99818	1.0
70.29877	0.8
71.01385	8.9
72.99275	3.9
73.02918	1.5
75.00843	5.3
79.66510	0.9
83.01360	5.9
84.02124	1.2
85.02950	100.0
85.84554	0.8
86.32399	0.9
87.00849	5.7
92.23060	0.9
101.02454	10.9
103.00361	1.0
103.03951	1.8
111.00882	47.9
121.02893	1.2
125.02387	1.4
129.01942	35.8
135.04501	1.7
147.03014	7.3
149.02449	11.9
152.01181	1.1
152.03398	1.0
161.04546	1.7
163.03929	1.8
164.04819	14.5
179.03467	1.5
179.07143	1.7
187.02449	1.7
193.01430	12.7
205.03549	46.0
208.01942	1.1
208.03775	24.2
223.02443	1.9
223.04488	49.8
223.06056	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03449	9.1
59.01104	0.6
59.01383	13.7
59.96724	0.4
64.10468	0.4
69.03448	0.8
69.21535	0.4
71.01378	9.6
72.99300	4.2
73.02943	2.3
75.00862	6.5
83.01381	10.1
84.02157	1.1
85.02943	100.0
87.00861	12.5
89.02431	5.7
92.11729	0.5
97.02934	0.9
99.00880	2.3
101.02423	2.5
103.00361	2.0
111.00872	2.6
115.00347	0.7
125.02420	1.1
129.01939	2.6
133.01419	3.0
143.03503	3.2
147.03038	3.1
168.81502	0.5
191.01988	14.9
223.02777	1.0
223.04607	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.35399	0.7
56.92538	0.7
57.03450	14.5
59.01120	1.1
59.01370	9.7
66.08086	0.8
71.01385	9.6
72.99306	2.0
73.02946	1.7
75.00880	6.3
76.07269	0.8
83.01373	7.9
85.02945	100.0
87.00867	5.0
101.02441	12.1
109.06461	0.9
111.00873	40.7
129.01938	31.5
135.04507	3.4
135.92366	1.0
147.02983	4.7
149.02440	10.4
152.01144	1.1
160.87030	0.9
161.04494	3.2
163.03998	1.7
164.04822	10.4
165.01994	1.0
179.03471	1.5
179.07164	4.1
187.02487	1.4
193.01463	14.1
205.01627	1.7
205.03552	43.5
208.03798	18.1
208.07178	1.3
223.02435	2.2
223.04568	39.0
223.06168	5.5
223.09622	1.3
235.47560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75591	1.3
55.01864	1.4
57.03455	13.5
59.01376	8.6
68.99805	1.4
70.21963	1.0
71.01385	8.1
72.99312	2.6
73.02953	4.3
74.99101	2.1
75.00866	5.6
80.96530	1.2
83.01395	7.0
85.02946	100.0
87.00867	5.8
91.02219	4.8
93.98879	1.1
99.00842	1.8
101.02409	10.6
103.00372	1.1
111.00874	45.2
125.02424	5.2
129.01941	36.4
130.42952	1.0
133.02951	1.3
133.30237	1.3
135.01236	8.6
135.04526	2.7
136.99104	1.3
143.79680	1.2
147.03012	10.6
148.59229	1.2
161.04579	1.9
179.03526	5.3
187.02531	1.6
193.01486	2.2
205.03555	41.5
208.03825	2.1
223.02699	4.3
223.04614	47.4
223.08032	1.7
223.13445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
56.37518	0.8
57.03449	14.5
59.01381	9.9
60.41938	0.8
62.81798	1.0
62.94917	1.0
71.01383	9.4
71.21916	0.9
72.99313	1.9
73.02972	2.3
75.00874	4.6
83.01397	8.6
84.02146	1.8
85.02950	100.0
87.00875	3.9
101.02441	14.8
103.00385	1.1
103.03999	1.3
111.00880	46.1
121.02959	1.3
127.77400	1.0
129.01947	31.8
147.02988	6.1
148.21594	1.1
149.02455	12.9
152.01105	2.5
163.04030	1.2
164.04839	13.1
179.07176	1.8
187.02403	2.0
193.01437	15.0
205.03551	46.2
208.03777	22.5
210.44037	1.1
223.04482	45.2
223.06097	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03450	16.4
59.01374	10.2
71.01378	10.6
72.99312	12.5
74.46652	1.6
74.80846	1.4
75.00861	2.6
79.73447	1.4
83.01388	8.0
84.64235	1.5
85.02949	97.4
86.12073	1.5
87.00832	2.1
91.02232	1.6
93.03455	3.1
101.02454	13.0
101.32192	1.8
111.00869	49.3
112.10267	1.7
121.02935	3.5
122.23802	1.6
122.91461	1.5
129.01933	24.9
135.04510	6.1
136.58047	1.7
143.71074	1.7
147.03024	6.8
149.02452	41.2
149.06059	13.9
151.04016	3.0
152.01149	15.8
152.03590	1.8
161.06058	6.1
163.04002	13.4
164.04791	44.8
165.01999	6.1
165.04349	2.4
167.03601	1.7
169.05035	3.2
174.92046	1.7
179.07138	14.7
187.02563	2.9
193.01428	57.9
205.03526	41.5
208.03784	100.0
223.04535	41.2
223.06189	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	Sparanone A
Peak:m/z	Relative Intensity
57.11364	0.5
93.03442	2.9
121.02942	9.1
132.02155	1.5
135.04514	5.9
147.04507	7.2
149.02438	100.0
152.01126	5.1
157.85265	0.8
163.03999	8.5
164.04790	77.7
165.01926	1.6
179.03528	1.7
179.07156	7.6
190.76895	0.7
193.01418	25.9
208.03786	46.3
223.04005	1.3
223.06120	37.9
223.08279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	Sinapate
Peak:m/z	Relative Intensity
50.95894	0.5
52.35978	0.5
54.03143	0.5
54.91419	0.4
55.37677	0.4
60.81052	0.5
70.40165	0.5
74.76060	0.4
88.51802	0.6
93.03440	3.3
93.67619	0.5
96.96010	2.3
104.88255	0.5
105.72083	0.5
108.02158	0.8
108.73508	0.5
109.02895	0.5
118.98269	0.5
121.02933	6.0
123.27471	0.5
135.04529	9.4
136.01651	2.2
139.00420	0.7
147.04497	0.7
149.02437	52.4
151.03987	2.3
151.08763	1.0
152.01154	15.7
163.04005	15.5
164.01157	35.4
164.04794	49.9
165.01924	2.9
167.03560	2.4
169.05058	7.0
170.36734	0.6
179.03531	6.0
179.07137	13.6
179.12068	0.6
180.04250	1.1
193.01427	54.8
208.03781	100.0
213.32910	0.7
223.02640	18.1
223.06117	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
54.06021	0.5
54.28677	0.5
59.01381	0.8
61.98636	0.5
63.54959	0.5
64.22313	0.5
85.17265	0.6
85.96772	0.5
87.00863	16.1
91.05524	95.5
96.95990	2.0
99.03677	0.6
106.99575	0.7
108.35439	0.6
117.07093	20.5
133.06590	38.5
135.04521	5.6
150.98552	3.7
153.09187	1.4
161.06090	57.7
163.04013	99.2
164.01103	1.0
164.04800	0.9
167.47264	0.6
178.98082	14.4
179.03564	1.1
179.07127	8.2
205.05103	3.0
222.97084	0.8
223.06126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.37749	0.3
58.93160	0.3
83.64501	0.4
90.42159	0.3
92.23064	0.4
95.01395	1.4
109.02945	0.8
119.84322	0.4
123.00868	0.9
137.02463	2.8
138.03265	0.7
151.00348	0.6
153.05576	0.7
165.01917	5.7
193.01430	68.7
207.03053	2.2
208.03781	100.0
223.06128	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0725
Annotation	D-3-Hydroxykynurenine
Peak:m/z	Relative Intensity
54.69223	0.3
58.75256	0.3
62.63232	0.4
73.74329	0.4
78.82754	0.3
94.02978	12.6
107.03757	0.8
108.04546	56.5
120.04513	2.8
121.02944	0.4
135.04488	3.3
151.03969	0.9
152.03525	100.0
164.03535	7.2
167.92210	0.4
179.03505	3.8
179.08247	0.4
191.77557	0.4
208.03673	0.5
223.02496	2.6
223.05246	0.7
223.07274	15.6
224.35378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82616	0.8
53.25013	0.9
59.01380	21.6
62.88812	1.0
67.43761	1.0
73.27892	1.1
77.33258	1.1
80.02615	1.1
83.01373	1.5
97.02943	15.9
104.25422	1.0
107.08655	4.3
110.03732	6.4
115.19003	1.2
122.03672	1.3
122.72992	1.0
123.04499	5.3
135.11781	10.1
136.05315	16.1
142.02687	1.5
149.02443	5.5
149.06036	5.4
151.11307	1.8
157.31645	1.0
161.09726	6.8
163.03970	1.0
164.04802	5.1
177.09146	2.1
179.10777	77.3
193.01396	7.6
205.08742	18.9
208.03812	13.1
223.06172	6.5
223.09773	100.0
232.77144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0978
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01386	29.6
63.47234	1.5
71.01362	1.8
81.07110	3.3
95.97363	2.0
111.04494	2.8
121.02922	2.6
135.04553	4.3
135.11792	14.0
149.02449	24.1
152.01160	4.0
161.09683	2.9
163.03998	4.3
164.04796	32.0
165.01932	2.6
178.99829	1.9
179.07126	9.3
179.10788	100.0
193.01460	31.4
205.08597	1.9
208.03796	66.6
221.88618	2.0
223.06104	33.5
223.09756	35.5
223.13306	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0978
Annotation	1,6-Dihydroxy-8-methoxy-3,5-dimethylisochroman
Peak:m/z	Relative Intensity
53.92865	0.5
54.55415	0.6
61.02968	0.5
67.43806	0.6
74.42028	0.6
82.34079	0.6
91.09480	0.6
108.02188	0.8
110.15848	0.6
119.70235	0.7
121.52107	0.7
123.04490	0.7
128.22791	0.6
135.04564	1.6
148.30766	0.6
149.02484	1.0
151.03992	1.3
152.01094	0.7
153.05496	0.7
163.04053	6.4
164.04770	4.0
167.13644	0.7
179.03510	5.0
179.07164	1.3
181.05069	4.0
182.05867	12.3
184.08138	0.7
184.93948	0.7
193.01428	5.0
197.08231	11.1
205.12331	1.1
207.06470	0.9
208.03755	7.0
208.07419	100.0
223.02473	2.8
223.06461	5.5
223.09760	39.2
223.13156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03432	1.3
59.01381	3.2
69.03435	3.3
71.05032	1.3
82.20378	1.5
87.17570	1.5
95.29592	1.4
109.06603	1.3
117.62692	1.4
137.76453	1.5
149.02446	1.5
164.04900	1.7
167.10768	13.1
179.10785	3.2
179.14368	9.9
193.01453	3.3
195.13918	29.2
205.12352	16.6
208.03691	9.9
223.02980	1.7
223.06139	3.0
223.13402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.78059	0.6
56.88086	0.6
57.93607	0.6
58.49930	0.5
59.01382	100.0
60.99316	0.6
74.29489	0.6
87.00858	1.1
105.29790	0.7
132.78033	0.7
146.26923	0.7
149.02434	3.3
157.12726	0.6
161.13326	0.7
164.04779	3.6
179.07191	0.8
193.01472	6.1
208.03789	10.3
223.06097	5.9
223.09776	1.2
223.13399	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.15520	0.7
53.12327	0.9
54.36095	0.8
57.03444	1.0
57.87843	0.9
59.01376	5.1
67.51270	0.8
69.03454	3.9
71.05035	1.4
106.82029	1.0
109.06675	0.9
125.09706	1.2
128.06703	0.9
132.04234	1.1
149.02486	2.0
149.09735	1.4
161.13440	1.4
164.04832	2.1
167.10771	9.7
179.10806	2.1
179.14439	11.8
192.28333	1.1
193.01443	5.5
195.13889	23.1
205.12300	17.4
208.03816	7.2
223.06105	5.2
223.13440	100.0
223.16965	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.01632	0.5
59.01384	5.9
63.67891	0.6
69.03453	5.2
93.03479	0.8
97.06641	0.9
111.13739	0.6
125.09728	1.2
136.09006	0.7
149.09691	1.5
161.13359	1.0
164.04829	0.8
167.10768	8.6
177.12862	1.2
178.54222	0.6
179.10753	4.5
179.14439	8.8
193.01463	2.9
195.13908	27.0
205.12354	21.4
208.03839	3.3
223.02850	10.7
223.06177	2.3
223.13414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03448	0.7
59.01366	0.9
59.65054	0.5
60.48080	0.5
64.95551	0.4
74.01979	0.6
80.02672	1.1
83.05022	1.0
90.81641	0.5
91.19687	0.6
92.23092	1.1
95.30206	0.5
96.96003	3.0
102.89108	0.6
149.02438	2.6
164.04837	1.1
177.12921	1.0
179.14392	4.6
188.26649	0.6
193.01418	1.3
195.13913	0.9
205.12369	1.3
208.03854	5.4
215.73483	0.6
223.06209	2.3
223.09857	2.6
223.13408	100.0
223.31801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
52.12029	0.5
55.82846	0.5
59.01373	2.7
61.75674	0.5
65.35949	0.5
69.03456	1.2
69.53648	0.5
89.07763	0.6
119.32999	0.6
144.93913	0.6
149.02452	2.4
149.09613	0.8
167.10773	5.1
175.70621	0.6
177.12827	0.8
179.10799	2.3
179.14426	5.3
193.01424	3.2
195.12321	0.8
195.13921	13.1
205.12373	8.9
208.03851	6.2
223.02780	1.0
223.06094	2.6
223.13509	52.9
223.17027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
52.50354	0.6
58.87273	0.5
70.63708	0.6
70.74519	0.6
76.50321	0.6
102.65675	0.7
107.89708	0.6
109.78856	0.6
144.73535	0.9
164.04857	1.0
170.10751	0.7
173.99789	0.7
193.01469	3.6
203.10023	0.8
208.03743	4.4
223.06030	2.9
223.13478	2.5
223.17044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
54.61599	0.5
59.01376	9.6
61.83837	0.7
62.92781	0.7
64.18504	0.6
72.83522	0.5
82.04031	0.6
83.05016	0.7
96.23629	0.6
114.99857	0.7
121.35944	0.6
148.15294	0.7
149.02441	1.1
164.04710	1.1
167.93478	0.7
193.01421	1.6
205.16090	6.1
208.03799	5.5
223.02737	1.1
223.06105	1.4
223.17035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0716
Annotation	N-Methoxy-3-formylcarbazole
Peak:m/z	Relative Intensity
67.77444	1.1
72.91188	1.2
72.99335	1.6
73.71495	1.2
108.04564	13.9
109.04138	3.0
109.04894	8.4
111.87652	1.4
134.06136	9.6
142.87292	1.6
150.05630	2.5
152.03523	12.2
162.02039	2.0
178.05128	3.3
180.06613	1.4
181.05334	2.8
192.04564	11.8
194.06123	49.5
195.06892	5.7
196.06030	2.3
196.07686	34.0
206.04581	1.8
209.06859	1.8
222.05606	31.4
224.02914	2.1
224.03621	2.5
224.07233	100.0
224.09102	4.6
240.06731	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
51.69360	0.8
59.01394	1.3
61.82482	1.0
66.93053	0.9
67.01890	5.8
77.73537	0.9
88.27152	1.0
93.03430	1.5
95.01386	1.8
107.01366	1.3
107.04989	2.7
110.49715	1.1
111.00856	7.5
121.02919	2.2
122.03714	6.4
122.97639	1.1
123.00855	1.4
123.04514	89.0
125.02407	1.9
135.04472	1.1
137.06084	11.7
138.03209	4.0
153.09061	1.0
166.02733	8.2
181.05072	100.0
195.03041	1.4
207.02934	1.4
210.05374	1.6
225.04001	1.6
225.07651	1.9
225.11250	2.0
226.08385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
56.14008	0.7
64.20496	0.6
67.01887	4.0
93.03446	4.1
95.01373	1.6
106.62579	0.8
107.01316	1.3
107.05036	1.7
108.02100	1.0
109.02947	1.6
109.21705	0.8
110.12733	0.8
111.00882	5.1
122.03729	5.1
123.00910	7.0
123.04512	69.1
125.02483	0.9
137.02432	5.7
137.06073	10.4
138.03214	14.4
138.24397	0.9
144.22183	0.8
151.00363	5.2
153.05551	3.8
163.03931	1.3
166.02704	10.3
181.01463	4.7
181.05063	100.0
225.00414	1.6
225.04027	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50781	0.7
56.83445	0.8
57.79547	0.7
64.34080	0.8
65.87134	0.9
67.01897	4.5
93.03469	1.1
95.01366	1.4
99.88929	0.8
107.01379	1.6
107.05026	1.5
110.00099	0.9
111.00883	5.6
122.03735	6.1
123.00893	0.9
123.04517	90.7
125.02486	1.5
137.06055	9.0
138.03209	2.1
166.02710	5.0
181.05075	100.0
190.37242	1.1
195.03026	1.3
207.10332	1.1
225.07567	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40937	0.7
57.03447	5.0
59.01379	10.6
59.71273	0.9
67.01891	2.3
70.88977	1.0
83.01391	1.0
94.02954	3.8
95.01417	1.6
95.03314	2.4
100.71287	1.1
107.01398	1.6
107.05021	3.9
111.00876	6.3
122.03682	7.4
123.04515	74.8
137.02467	1.2
137.06087	11.1
138.03195	1.4
157.71585	1.0
160.30647	1.0
166.02705	5.1
181.05075	100.0
196.76407	1.1
207.10231	1.2
210.05402	1.2
212.14967	1.1
225.04024	1.4
225.07719	1.4
225.11322	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93575	0.6
57.03440	0.6
59.01382	13.3
67.01888	2.9
75.00880	0.7
78.91389	0.7
81.03456	1.2
107.01386	1.6
107.05058	2.5
111.00907	6.6
117.48189	0.8
121.02959	0.9
121.05014	0.9
122.03713	5.8
123.04520	75.1
125.02464	1.1
137.06078	9.4
138.03255	1.5
166.02701	5.0
167.03514	0.8
171.87042	0.8
179.03465	2.9
181.05077	100.0
184.72002	0.7
195.03000	4.3
206.02939	0.8
207.02989	0.9
210.05409	5.6
225.00153	1.0
225.04092	3.5
225.07690	1.8
225.11360	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
64.69604	0.5
65.32205	0.5
67.01883	4.5
74.99269	0.5
81.03463	0.7
83.01387	0.8
92.23074	1.0
93.03433	1.4
95.01389	1.1
107.01401	3.6
107.05039	2.5
111.00877	5.6
111.01517	0.5
122.03711	7.4
123.00881	1.2
123.04517	72.0
125.02462	0.7
137.06087	12.2
138.03247	1.5
147.01970	0.6
166.02765	5.5
166.04060	0.9
181.05080	100.0
226.94591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0407
Annotation	cspyrone B1
Peak:m/z	Relative Intensity
53.92416	0.2
65.03989	0.3
67.01874	0.4
73.33112	0.2
75.00845	0.3
77.61472	0.2
85.46737	0.3
88.33948	0.3
109.02947	27.1
116.28378	0.3
121.02923	0.2
137.02448	100.0
138.70738	0.2
147.00858	1.1
148.01683	5.3
149.02461	0.4
165.02000	0.3
175.00407	2.4
179.03510	7.7
180.04344	1.0
187.08873	0.2
195.06680	0.6
207.03006	10.3
210.05350	0.3
225.04094	4.6
225.07495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
53.92570	0.7
57.55810	0.8
57.75969	0.7
59.98494	0.8
65.96425	0.9
69.92562	0.7
69.96742	0.7
70.41917	0.8
72.99305	3.4
92.49339	0.9
93.03440	1.3
103.69544	0.9
105.03459	30.6
107.05033	8.6
109.02937	7.6
111.00837	0.9
121.02953	31.4
123.00911	3.6
123.04502	12.1
125.02448	1.3
135.04532	15.3
136.01602	2.9
137.02455	23.7
139.00429	1.1
139.04080	0.8
148.01793	1.0
149.02403	5.3
151.00441	1.6
151.04007	6.1
153.01924	3.5
159.71773	0.9
163.04016	10.0
164.01154	9.6
165.01918	4.0
166.02707	48.9
167.03413	1.0
178.04381	0.8
179.03508	100.0
181.05080	38.9
181.06384	0.9
181.08627	1.0
195.03018	43.1
206.99300	1.9
207.02997	48.9
209.04591	0.8
210.05354	80.5
225.00449	4.0
225.04109	39.3
225.07637	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Isochorismate
Peak:m/z	Relative Intensity
52.58651	0.1
59.01366	0.2
65.03962	0.8
69.52398	0.1
72.62239	0.1
73.86263	0.1
80.76448	0.1
92.23108	0.2
93.03471	0.2
109.02947	27.9
119.01366	0.4
137.02446	100.0
147.00888	1.3
148.01660	4.7
149.02466	0.7
168.55211	0.2
175.00371	2.9
179.03503	7.6
180.07899	0.3
207.03004	10.7
218.05222	0.2
225.04070	4.1
225.07663	0.3
227.10196	0.2
234.10522	0.2
241.16254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
53.76200	1.2
59.01381	3.3
61.59947	1.4
67.01870	6.1
68.70232	1.2
79.95724	5.1
80.96516	20.3
81.03442	2.0
83.61647	1.3
84.14398	1.4
85.02974	1.4
95.01379	2.0
96.00901	3.3
96.88567	1.3
96.95995	8.5
109.02958	12.5
110.02461	19.8
111.00852	7.9
114.02000	1.5
117.99542	1.3
121.02950	1.5
122.03721	2.8
123.00851	2.3
123.04510	77.6
126.95275	10.2
135.04437	2.3
137.02449	33.0
137.06081	8.5
137.07124	2.6
137.09760	1.6
138.03232	8.1
151.00346	1.8
151.04007	6.8
153.05557	3.6
163.00653	1.4
163.03992	2.6
166.02678	7.8
179.03516	3.2
181.05013	100.0
195.02991	7.3
207.03030	6.2
210.05331	2.4
224.98964	9.2
225.04187	20.7
225.11354	6.1
225.14967	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32344	1.0
59.02771	0.8
60.37036	0.9
63.33885	0.8
63.88676	0.9
69.15422	1.0
72.99303	2.4
76.89452	1.1
81.41605	1.1
94.59660	1.0
105.03444	20.3
107.05018	9.9
109.02914	4.6
110.02474	1.1
121.02945	34.7
123.04485	11.7
135.04529	17.0
135.71796	1.2
137.02437	16.9
149.02454	5.2
151.04008	6.7
152.08400	6.3
164.01128	11.9
165.01974	5.3
166.02708	50.6
167.60713	1.2
179.03500	100.0
181.05087	35.1
195.06523	1.5
206.99405	4.3
207.02995	44.4
224.73254	1.1
225.00487	4.0
225.04056	35.1
225.07729	2.4
225.11392	1.4
225.14902	5.3
244.55739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0558
Annotation	1-Hydroxy-3-methylxanthone
Peak:m/z	Relative Intensity
51.35832	0.6
54.88966	0.6
82.81235	0.7
83.31625	0.7
99.43617	0.7
100.51334	0.7
123.87768	0.7
181.06607	16.1
181.12451	0.9
207.10289	0.8
225.05586	100.0
234.59419	0.8
234.88551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15130	0.5
52.37729	0.6
61.02390	0.6
61.96283	0.6
89.23068	0.6
92.22372	0.6
109.02944	3.9
137.02441	20.4
146.91959	0.7
149.87883	0.6
153.05504	0.9
165.01918	28.6
179.03546	1.1
180.04288	100.0
195.03001	28.4
195.06630	83.9
207.02942	1.0
209.04485	1.0
210.05342	60.9
225.07689	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78859	0.3
54.61058	0.4
57.26858	0.3
57.93922	0.4
58.60141	0.4
85.86086	0.4
90.73305	0.4
94.13585	0.4
95.01379	0.8
112.19254	0.4
123.00872	5.2
125.02456	0.4
138.03215	0.6
138.06889	0.7
139.00385	2.0
149.02484	0.6
151.00388	3.3
153.05530	0.6
153.09227	2.6
153.89503	0.4
164.04770	2.0
166.02652	1.7
167.03471	0.7
177.01945	1.6
181.05038	0.4
192.04289	2.1
195.03009	53.4
207.06618	0.8
209.04590	0.7
210.05359	100.0
220.72009	0.4
225.07706	46.0
225.15047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
50.32122	0.2
52.73575	0.3
54.30186	0.3
59.01379	0.3
63.39172	0.3
82.34703	0.3
86.66816	0.3
94.61852	0.3
107.01359	0.4
108.02165	4.3
123.00874	0.4
123.04513	7.5
136.01654	10.6
139.47241	0.3
150.03235	0.4
151.03998	1.3
178.02718	70.9
182.80307	0.3
193.05067	100.0
195.06641	0.3
207.10329	0.4
225.07733	4.8
225.11232	0.7
240.46788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.90722	0.4
52.01642	0.3
57.03455	6.0
58.10795	0.4
59.01385	100.0
59.10651	0.4
71.05029	2.5
83.05011	1.9
85.02948	3.8
86.01028	0.4
87.04508	6.9
95.05044	0.5
97.06597	2.4
99.04515	0.6
109.02930	4.0
110.02496	0.5
113.02402	0.4
118.72550	0.4
121.06581	0.4
123.00890	0.4
123.04508	0.5
123.08174	0.9
125.02467	5.0
125.06071	1.6
127.03980	1.8
133.10269	0.4
135.08176	2.1
137.02443	20.9
147.08153	4.7
150.03215	0.6
151.04012	0.8
151.11340	0.9
163.11256	2.0
165.01920	3.0
165.09294	3.3
166.02744	0.6
177.01881	0.5
180.04282	5.4
181.05104	1.6
181.06824	0.6
181.08517	0.4
181.12340	0.9
182.06003	0.4
189.73212	0.5
192.04225	0.5
193.04956	0.6
195.03026	11.1
195.06665	4.6
207.06773	0.7
207.10263	1.9
209.04610	0.7
210.05360	20.8
225.04097	1.7
225.07828	16.8
225.11333	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17902	0.9
54.70759	0.9
54.94896	1.1
56.54255	1.0
59.01391	1.0
77.44522	1.1
87.93681	1.1
93.03497	1.2
96.95999	16.7
97.02950	5.5
99.00895	1.3
102.65738	1.4
109.06575	1.5
137.02434	5.1
143.46873	1.2
146.99702	1.2
163.11305	9.4
180.04245	1.6
181.12323	30.7
195.02966	1.8
197.11729	1.2
207.10263	60.7
225.04437	2.0
225.07858	6.0
225.11319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01387	4.3
67.99812	2.5
68.96008	2.5
71.33323	2.4
73.02944	15.3
78.34722	2.2
79.18357	2.7
81.03466	3.1
87.63093	2.5
99.04514	10.5
109.02926	4.6
109.06567	4.1
137.02402	3.7
137.09764	3.3
163.11336	26.9
165.01924	3.3
166.02682	13.9
166.76033	2.6
181.05099	9.9
181.08852	5.4
181.10858	5.1
181.12361	99.6
195.03149	3.1
207.10327	19.8
225.04048	4.9
225.07849	4.6
225.11307	100.0
225.14745	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.91467	0.6
59.01383	0.6
62.15865	0.5
62.48701	0.5
75.48538	0.6
82.87686	0.6
97.02929	5.7
99.00880	4.1
109.06520	1.0
110.03713	4.3
125.09676	0.9
135.81569	0.6
136.05247	0.7
141.82819	0.7
142.02716	1.2
149.07442	0.6
163.11285	11.3
181.12355	37.4
181.78694	0.6
195.06476	0.9
197.11920	2.6
207.07368	1.0
207.10280	72.3
225.11342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18354	0.4
59.01384	0.8
59.61790	0.4
65.90240	0.5
68.01160	0.4
76.92048	0.5
86.09818	0.5
96.95982	3.1
97.02942	5.0
99.00876	2.1
107.87119	0.5
109.06591	1.2
109.39852	0.5
110.03709	2.2
123.08280	0.5
125.09753	0.6
135.08133	0.8
142.02795	0.7
143.84430	0.5
163.11279	7.8
176.37347	0.6
181.12338	26.8
194.93376	0.5
195.02991	0.6
197.11870	0.7
207.10277	64.6
225.11331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76291	0.6
73.54343	0.8
74.73164	0.8
85.02879	0.9
91.81506	1.0
93.03465	1.7
97.02946	3.9
99.00848	7.7
107.01340	1.0
109.06617	1.1
110.03733	1.0
125.09709	4.0
135.40388	0.9
137.02409	5.5
163.11263	9.2
181.12358	17.7
207.10294	61.8
225.11337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
58.20945	0.6
59.01374	1.4
60.00001	0.7
62.08764	0.6
70.45164	0.6
72.67642	0.6
78.38222	0.6
84.75845	0.6
137.02455	0.9
142.36552	0.7
152.16797	0.7
169.12372	0.8
181.12283	3.3
181.15891	0.7
195.13844	2.3
197.15535	6.0
199.77342	0.7
201.15292	0.9
207.10205	3.2
207.13908	6.6
220.27986	0.7
225.11342	5.1
225.14964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01375	1.3
125.69271	0.8
150.78699	0.7
163.11205	1.2
181.12334	6.2
181.15929	1.5
194.67934	0.7
195.13902	2.6
197.15388	6.1
207.10292	17.1
207.13873	7.6
225.11507	23.4
225.14960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.42533	0.4
58.22530	0.4
59.01384	0.7
59.88494	0.4
66.37431	0.4
67.43164	0.5
84.53702	0.4
109.63416	0.5
156.74673	0.5
165.12828	6.7
181.15997	5.2
197.15472	10.9
207.10327	0.6
207.13950	0.5
220.66151	0.5
225.11333	2.6
225.14970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01364	2.0
78.15936	0.9
103.07842	0.9
124.65041	0.8
133.41844	1.0
163.14917	1.3
181.12444	1.6
195.06586	1.2
195.13896	11.2
197.15483	5.2
207.10318	1.3
207.13904	22.7
210.05379	0.9
210.74725	0.8
225.11331	4.2
225.14967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57804	0.4
58.44297	0.4
63.85581	0.5
70.27762	0.5
75.44615	0.5
82.21211	0.5
82.65852	0.5
101.35913	0.6
133.27815	0.5
156.86183	0.5
164.69873	0.5
180.71640	0.5
207.10226	1.3
225.18610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
52.56651	0.6
59.01402	0.8
70.87621	0.6
83.05022	0.6
115.85511	0.6
118.29351	0.6
130.14545	0.6
207.10312	1.4
207.17596	1.2
225.11380	3.7
225.18617	100.0
231.06799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
78.81106	0.5
79.65081	0.5
87.61977	0.5
91.25076	0.5
92.22466	0.7
110.40317	0.6
137.02380	0.8
156.05695	0.8
167.96339	0.5
185.07178	0.7
198.07837	2.2
207.10251	1.2
207.17581	1.1
225.09157	0.8
225.11378	2.1
225.18617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.2225
Annotation	Muscol
Peak:m/z	Relative Intensity
55.91962	0.7
63.96532	0.6
70.70152	0.8
91.33395	0.6
197.19086	1.0
203.27548	0.8
217.53374	0.8
221.19070	1.0
223.20663	8.5
225.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0357
Annotation	Stizolobinate
Peak:m/z	Relative Intensity
55.01863	0.6
60.16320	0.6
62.83036	0.5
65.99865	1.0
68.99798	1.0
76.07825	0.6
76.12381	0.6
77.89143	0.7
79.44032	0.5
82.02978	28.2
82.63274	0.6
88.54568	0.6
92.23177	1.1
93.59892	0.7
98.02438	0.9
106.97343	0.6
116.23237	0.6
126.01963	100.0
127.04730	0.7
133.85300	0.7
139.44456	0.6
140.02522	0.6
190.09953	0.7
202.24625	0.6
226.03587	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0359
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.35899	1.2
67.01891	6.7
70.68556	1.3
71.01383	17.3
71.44846	1.4
92.23119	1.6
92.85983	1.6
96.00893	2.8
96.26912	1.2
101.94638	1.3
102.17000	1.4
109.68954	1.3
110.02468	100.0
111.00873	14.7
115.00355	40.3
120.04559	1.3
128.03561	2.2
138.05611	3.2
138.26498	1.4
164.03525	10.0
168.03033	8.6
176.84366	1.5
180.03032	1.6
182.02982	2.5
182.04596	61.4
196.06938	2.1
208.02524	17.1
213.86995	1.5
226.03563	48.9
226.07162	5.7
232.95767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0358
Annotation	Stizolobinate
Peak:m/z	Relative Intensity
53.00313	0.9
65.99843	0.7
67.04839	0.6
71.51852	0.6
81.60149	0.6
82.02983	28.9
85.84682	0.6
86.68025	0.6
106.06944	0.6
108.91711	0.6
126.01962	100.0
128.03545	1.3
130.96243	0.6
171.21732	0.7
211.06317	0.8
226.01350	1.5
226.03580	43.1
226.09027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69325	0.6
55.01880	0.9
58.02973	0.9
59.01374	4.3
65.99832	1.4
71.05013	1.7
72.04538	0.8
82.02979	27.0
100.51602	0.8
126.01961	100.0
127.91805	0.9
137.02473	0.9
182.05377	1.5
182.11839	1.1
188.42076	0.8
207.52126	0.7
213.67239	0.8
219.49962	0.9
226.03568	39.2
226.10907	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0359
Annotation	Stizolobinate
Peak:m/z	Relative Intensity
53.00308	0.9
55.01880	1.0
65.99840	0.8
68.99820	0.9
73.71561	0.7
82.02979	28.6
126.01968	100.0
155.64946	0.7
226.03586	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0392
Annotation	Aminocyclopyrachlor-methyl
Peak:m/z	Relative Intensity
50.76944	0.3
55.13290	0.3
59.46614	0.3
64.73081	0.3
69.53966	0.4
69.69191	0.3
71.05012	0.6
93.38620	0.4
95.95251	0.6
95.97631	0.5
96.96001	34.9
99.04520	0.4
107.73141	0.4
146.08228	8.1
181.00206	0.8
181.01759	11.3
226.03926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98261	0.1
69.56190	0.1
71.05013	0.9
72.34303	0.2
73.49822	0.1
75.92386	0.1
76.77726	0.1
79.95736	0.3
80.68329	0.2
91.98492	0.2
93.48199	0.2
95.95246	0.7
95.97616	0.3
96.96004	35.6
99.04508	0.3
105.48107	0.2
116.07155	0.3
121.04880	0.2
126.29229	0.2
129.38354	0.2
137.02431	0.3
138.02791	0.9
146.08243	8.6
149.04793	0.4
179.79768	0.1
181.01768	8.8
226.03928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
81.93902	0.6
96.96002	35.1
146.08238	8.5
153.33513	0.6
180.29955	0.6
181.01750	9.1
226.03920	100.0
229.59314	0.7
234.63634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0392
Annotation	Aminocyclopyrachlor-methyl
Peak:m/z	Relative Intensity
50.47052	0.2
63.34097	0.2
64.13863	0.2
71.05000	1.5
71.67593	0.2
76.57733	0.2
79.35191	0.3
79.95707	0.3
95.95221	0.6
95.97630	0.3
96.96001	38.0
146.08238	9.6
166.79694	0.2
181.01762	9.6
226.03928	100.0
243.17184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76675	0.3
71.05009	0.9
86.31616	0.4
95.97631	0.5
96.96004	39.9
99.04481	0.5
118.67786	0.4
128.03542	11.0
145.77271	0.4
146.08241	7.9
181.01778	9.2
211.06328	0.5
217.56181	0.4
221.26912	0.5
226.03932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0512
Annotation	9-Hydroxy-2-nitrofluorene
Peak:m/z	Relative Intensity
51.32244	0.2
51.90418	0.2
59.05129	0.3
59.33427	0.2
61.93563	0.3
61.94820	0.3
71.02805	0.2
85.06589	0.6
88.89866	0.3
126.71420	0.3
128.97501	0.3
154.12369	2.2
170.06085	0.4
176.60349	0.3
197.04834	1.5
198.05598	4.3
226.05119	100.0
241.96631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23771	0.3
52.18204	0.2
64.98473	0.3
65.75500	0.2
65.93100	0.3
68.02107	0.3
68.40829	0.3
71.48222	0.3
84.04539	3.1
90.66412	0.3
92.19361	0.3
95.67523	0.3
112.04078	0.3
128.03534	100.0
138.02803	0.3
196.07039	0.4
226.07205	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0874
Annotation	Clausenol
Peak:m/z	Relative Intensity
57.08595	0.5
61.69683	0.6
66.36230	0.6
73.36075	0.5
74.25510	0.5
78.19836	0.5
92.51151	0.5
94.03003	0.6
108.04532	2.5
110.02471	0.9
124.04021	0.8
134.06129	0.7
168.03145	0.9
178.15385	0.6
179.47623	0.6
182.04622	1.4
182.06183	2.6
183.06862	2.8
192.33759	0.6
209.04845	0.8
210.05606	24.3
210.79613	0.6
211.06404	100.0
224.07207	0.7
226.03752	0.7
226.08771	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51856	0.9
69.03448	1.2
71.55746	0.9
82.03011	1.2
84.04544	5.4
97.02344	1.6
97.02943	40.8
107.98019	1.0
112.04045	22.6
118.03082	1.0
126.09315	1.1
138.05626	1.2
138.12885	29.2
152.10786	12.9
154.12393	7.4
169.36115	1.1
182.11862	73.9
215.87117	1.3
226.06369	6.7
226.10861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.145
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
57.03438	1.2
58.02979	46.6
89.20184	1.4
91.87058	1.4
100.87244	1.4
109.64819	1.7
111.08141	2.5
111.55310	1.6
113.35114	1.4
125.95504	1.3
127.19872	1.3
154.49158	1.5
165.12822	33.6
170.26129	1.3
173.40587	1.4
182.15506	100.0
187.38177	1.4
198.20767	1.6
204.36473	1.5
209.11816	1.9
220.97557	1.3
226.14484	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0312
Annotation	(plusmn)-Mevalonic acid 5-phosphate
Peak:m/z	Relative Intensity
52.87842	0.6
59.10947	0.8
72.99310	18.1
85.00435	8.6
88.54505	0.7
91.04014	0.7
95.01340	0.8
107.01391	1.5
109.06593	1.2
109.38306	0.6
109.78904	1.0
123.00855	1.4
124.19255	0.9
139.07651	1.1
151.00371	1.7
152.08388	0.8
165.09279	1.9
183.10194	1.6
183.13989	1.3
194.99377	12.7
209.08340	1.3
209.11909	1.7
227.03157	100.0
227.09262	13.5
227.12991	3.8
227.16702	1.4
227.20155	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0312
Annotation	(plusmn)-Mevalonic acid 5-phosphate
Peak:m/z	Relative Intensity
55.68087	0.3
56.15374	0.3
59.14484	0.3
59.69245	0.3
65.26987	0.3
65.45419	0.3
68.01402	0.4
72.99326	0.6
85.00437	8.7
112.58025	0.5
114.05608	0.5
198.84270	0.4
227.03120	100.0
227.14195	0.6
227.20132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08344	0.5
65.03961	0.7
67.51476	0.4
72.99284	0.9
77.04018	0.4
79.05547	0.5
81.03459	9.4
93.03453	19.4
95.01392	2.7
95.04999	1.1
107.05031	7.1
108.02161	2.1
109.02943	8.8
113.02484	0.6
121.02952	35.8
123.00852	3.2
123.04511	20.4
127.03978	0.5
136.01648	0.6
151.04008	100.0
153.05576	9.9
192.46527	0.5
227.05600	2.6
239.57176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56645	0.8
59.45621	0.8
60.41221	0.8
61.94847	0.8
64.56210	0.8
67.01885	0.9
72.99313	1.2
76.59776	0.8
81.03452	10.7
85.58674	0.9
93.03450	16.2
95.01384	4.7
107.05007	7.9
108.02157	1.2
109.02950	11.2
111.04541	1.0
121.02954	36.2
123.00869	3.6
123.04521	20.2
129.96817	0.9
137.02451	0.9
151.04005	100.0
153.05591	11.3
161.09741	1.6
165.07982	0.9
183.06497	1.2
191.30232	0.9
227.00174	1.1
227.04765	1.2
227.12938	5.7
227.20149	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89982	0.7
52.97330	0.6
60.06989	0.7
64.21571	0.6
65.03970	0.8
67.01886	0.8
68.99818	0.7
71.01391	1.0
71.53889	0.7
72.99287	2.8
81.03456	11.3
84.53104	0.7
85.04080	1.2
93.03444	14.9
95.01373	3.4
107.05009	7.3
108.02151	1.5
109.02943	11.9
112.04032	5.0
114.01945	5.9
121.02945	38.1
122.03738	0.9
123.00866	1.7
123.04520	21.1
129.03882	1.5
136.01631	1.4
139.07668	0.9
147.04440	0.7
151.03999	100.0
153.05559	11.3
165.06709	1.6
166.32866	0.8
183.13875	1.1
193.73416	0.7
209.04549	1.2
227.02194	3.2
227.06042	1.3
227.06535	1.3
227.16490	0.9
227.20204	8.4
239.14687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0715
Annotation	Anhydromarmesin
Peak:m/z	Relative Intensity
66.19551	0.4
70.57018	0.4
74.54243	0.4
104.82846	0.5
108.83324	0.4
123.04516	0.5
146.34225	0.5
147.75690	0.5
155.08652	2.9
168.05811	6.1
177.60835	0.5
181.06543	0.7
182.07367	2.4
183.08159	100.0
183.13808	1.5
192.42633	0.4
209.11905	0.5
214.06390	0.5
227.07167	22.2
227.20192	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0828
Annotation	Aaptamine
Peak:m/z	Relative Intensity
51.32906	0.8
68.01411	4.5
68.99815	4.1
70.02974	1.6
81.53867	0.8
96.00921	4.2
97.01692	5.6
98.02471	100.0
103.37260	0.9
110.02491	1.4
116.05058	3.4
125.09694	1.0
148.31160	1.0
165.12813	4.3
183.13889	3.9
209.11891	10.5
209.58620	0.8
209.69238	1.1
227.03386	1.5
227.08391	28.2
227.12886	5.1
227.20148	6.8
228.52719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0925
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
51.66373	0.7
55.11428	0.7
57.03445	1.3
62.18396	0.8
69.93842	0.8
82.40012	0.8
93.07087	1.7
123.08120	1.0
139.07640	1.0
144.98978	0.9
155.10728	1.4
183.10263	100.0
199.09714	1.7
200.48753	0.8
211.42786	0.9
219.57082	0.9
227.05841	1.7
227.09267	31.1
227.12805	3.3
227.16379	1.1
227.20195	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23288	0.9
59.01372	1.2
76.97527	1.0
86.91325	1.0
89.96649	1.0
111.08161	2.3
165.12836	31.4
183.13902	38.2
194.09070	1.1
199.85852	1.2
208.93427	1.9
209.11861	22.7
216.72581	1.2
227.12914	100.0
227.16443	33.1
227.20143	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.70391	0.4
55.27671	0.4
57.03450	1.1
57.32677	0.4
58.03248	0.4
59.01381	0.6
62.07227	0.5
71.04996	0.5
83.05016	1.0
85.02103	0.5
97.06603	0.8
108.28853	0.5
111.08156	2.8
125.48035	0.4
131.98889	0.5
139.11273	0.5
163.11310	0.8
165.12831	27.7
183.13902	35.3
196.44743	0.5
208.93396	2.4
209.11853	24.1
227.12909	100.0
227.16565	3.2
227.20189	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64537	0.4
53.51749	0.3
60.59972	0.3
60.93608	0.3
82.12357	0.3
92.37022	0.3
98.02507	0.3
101.08614	0.3
101.92605	0.3
111.08160	0.5
165.12849	17.8
183.13908	100.0
209.11797	3.1
227.12901	22.2
227.20132	2.7
248.65581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.28304	0.4
95.29230	0.4
114.95656	0.6
165.12839	17.5
183.13899	100.0
209.11865	2.1
224.22508	0.5
227.12891	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
54.14862	0.7
54.20680	0.7
54.59928	0.8
62.29625	0.9
70.11181	0.8
80.02692	1.1
83.05035	6.2
84.02143	1.4
103.82646	0.8
135.08186	1.3
163.11244	6.9
165.12849	13.8
181.12375	1.1
183.13905	57.4
185.37984	0.9
191.63998	1.0
209.11847	100.0
227.12955	23.5
227.20155	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.88735	0.4
51.91033	0.4
56.84047	0.6
59.87972	0.4
66.29306	0.5
73.41985	0.4
80.02664	2.1
81.03439	1.0
83.05027	6.0
84.02146	1.2
95.05032	0.6
117.71642	0.5
163.11253	4.5
165.12830	4.4
181.12341	1.1
183.13908	8.3
191.10794	1.2
199.13490	0.6
208.93451	1.2
209.11839	100.0
209.60287	0.5
222.70003	0.6
227.12915	7.4
227.16522	1.9
227.20189	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.42228	0.7
83.05035	6.6
83.13499	0.8
84.02165	1.3
88.90293	0.8
139.11278	1.0
146.90263	0.8
163.11317	4.7
165.12869	7.0
181.12419	1.1
183.13901	13.5
191.10832	1.3
209.11855	100.0
227.12889	10.0
227.16501	1.8
227.20152	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1653
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03460	0.4
72.81418	0.4
75.77274	0.4
78.53698	0.4
111.78454	0.4
149.20551	0.4
165.12836	0.5
167.14355	1.8
183.13925	2.8
183.17525	0.8
199.13452	2.7
208.93375	2.7
209.11852	1.6
227.12903	5.1
227.16550	100.0
227.19878	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2018
Annotation	Myristic acid
Peak:m/z	Relative Intensity
52.85868	0.4
57.79798	0.5
63.16460	0.5
69.62678	0.4
72.33096	0.5
73.46609	0.5
150.24585	0.6
227.20187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22113	0.4
63.06609	0.4
71.08158	0.4
192.73576	0.4
193.60928	0.4
209.11826	0.7
210.74178	0.4
217.01703	0.6
227.20172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0668
Annotation	Melicarpinone
Peak:m/z	Relative Intensity
65.33893	0.2
66.90399	0.2
79.34857	0.2
167.14432	0.3
169.26135	0.2
182.06111	0.5
184.04111	0.2
185.04800	0.4
198.05750	0.8
199.02826	0.2
199.06422	6.8
200.07196	5.2
204.00607	0.2
213.04355	1.9
228.06685	100.0
228.20493	0.3
238.76881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83934	0.6
58.55705	0.6
59.01384	1.0
65.11227	0.6
76.45918	0.5
78.44121	0.7
79.54871	0.6
82.06589	2.3
84.12405	0.6
92.18932	0.6
92.23088	1.4
96.00913	11.8
109.01686	100.0
109.77258	0.6
110.02452	0.9
114.01945	8.6
126.93471	0.7
129.62300	0.6
130.08743	12.3
138.09248	3.8
140.07245	0.7
140.10782	6.4
142.08722	6.2
156.10345	1.6
166.08730	30.3
168.06636	4.2
184.09677	1.0
184.10680	1.1
189.41507	0.7
210.07732	60.5
228.08862	3.2
228.20465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0879
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
50.83742	0.5
56.80052	0.6
61.94316	0.7
71.01389	6.0
75.42726	0.6
82.02930	0.6
88.04037	83.5
96.00912	3.5
96.99329	0.7
109.01685	26.5
110.02497	0.8
112.07667	1.4
113.06083	6.3
114.01944	7.5
115.00358	15.3
130.08733	3.6
132.03029	100.0
140.07118	0.8
140.10800	0.8
142.08762	1.1
166.08717	10.5
168.06644	0.7
184.09785	4.3
206.13593	0.8
210.07736	16.2
228.08781	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.088
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24821	0.7
70.02978	0.8
71.01369	5.4
84.12723	0.7
85.06565	1.7
88.04034	86.3
92.23116	0.8
96.99316	1.3
97.02868	1.0
99.10047	0.6
111.04532	1.5
112.07711	1.6
113.06075	5.9
114.01958	5.9
115.00369	13.3
116.07167	55.4
130.08737	12.2
131.16479	0.6
132.03023	100.0
154.12361	8.6
162.88596	0.7
166.12387	1.3
171.13966	0.8
184.09741	1.5
184.13406	5.0
210.07756	0.9
228.06700	1.3
228.08835	16.3
228.12376	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04950	0.6
57.03456	3.3
60.59962	0.5
75.07991	0.6
85.11638	0.6
92.23065	0.7
100.47935	0.6
111.08137	3.8
119.24854	0.6
137.09721	1.0
138.46281	0.6
139.11288	84.5
156.13942	3.8
167.65395	0.7
182.11861	3.0
183.10263	40.2
200.12935	100.0
201.11342	9.0
213.21811	0.6
228.12375	12.0
228.16025	2.6
228.20636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1242
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
50.60473	3.5
57.03453	9.4
58.02981	5.1
84.87498	4.2
87.12516	4.1
88.44724	4.2
91.13016	4.4
91.59043	3.6
92.02686	3.9
121.16689	3.6
125.09705	27.9
149.84308	4.2
166.12401	17.7
184.13419	72.5
184.77785	4.0
228.06746	9.2
228.08875	5.1
228.12373	100.0
228.20551	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1605
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
50.32391	0.5
77.77715	0.5
79.09483	0.5
81.80968	0.6
87.02247	0.6
107.18105	0.5
167.14433	28.3
167.15839	1.1
184.17102	2.5
210.15010	6.8
211.13408	48.1
228.16054	100.0
229.14427	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1606
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
51.66020	0.5
55.48555	0.5
58.40304	0.6
59.80562	0.5
76.87200	0.5
89.39573	0.6
98.79352	0.5
100.50527	0.6
167.14406	27.6
184.17043	3.6
199.47423	0.6
210.15027	8.2
211.13406	40.0
228.16049	100.0
229.14453	18.0
242.55022	0.6
248.92728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92378	1.2
51.00031	1.3
52.51942	1.6
53.80150	1.3
65.67720	1.4
69.03449	1.8
70.02973	14.3
71.01396	2.3
72.00918	12.8
72.99306	67.1
74.58426	1.7
75.13824	1.6
79.05528	2.9
80.17791	1.5
80.71790	1.5
81.03454	34.9
83.98751	1.5
95.05026	11.1
96.00900	32.4
97.02404	1.6
97.02946	12.8
97.06586	79.9
111.04514	49.2
113.03571	55.1
114.01964	58.1
123.03634	3.3
123.04528	100.0
123.05610	14.8
131.04610	2.1
139.04008	8.5
139.50174	1.7
141.05577	28.0
143.04616	14.8
149.03552	15.3
157.06207	3.2
167.03491	63.9
167.04681	5.0
185.04546	60.7
185.06076	2.9
193.02589	3.4
211.03763	25.7
229.03339	16.0
229.07108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0355
Annotation	CHEBI:133973
Peak:m/z	Relative Intensity
58.87374	1.8
69.03455	11.0
70.02972	8.7
72.00896	7.4
72.99308	32.1
74.27924	1.6
77.34834	1.8
81.03467	15.0
82.37225	2.0
96.00914	27.1
97.02936	10.7
97.06574	28.8
111.04523	30.2
113.02446	4.9
113.03557	37.3
114.01968	38.5
122.92474	1.9
123.04513	42.9
123.05612	8.5
125.02444	4.9
139.04044	3.1
141.01971	17.7
141.05544	13.0
143.04630	14.5
149.03537	7.7
159.64764	2.0
167.03473	23.3
167.04674	4.2
169.01422	100.0
185.04549	25.0
211.03706	14.4
229.03481	66.7
229.06975	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94714	0.6
57.03446	1.0
59.01387	0.7
60.21642	0.7
60.56072	0.7
67.01894	1.2
69.03448	5.6
70.02968	25.3
71.01382	5.5
72.00900	19.7
72.99301	60.7
74.66738	0.7
79.05531	4.0
81.03452	35.2
81.03907	1.7
87.05612	1.5
95.01368	1.5
95.02502	1.6
95.05032	7.0
96.00903	60.4
97.02936	10.9
97.06576	61.5
98.02479	1.2
99.04539	1.2
111.00880	3.2
111.04508	37.8
113.02345	2.8
113.03561	89.2
114.01952	98.2
121.04078	2.0
123.04507	100.0
123.05611	24.3
124.04032	1.8
125.02442	1.4
125.03551	4.6
131.04623	5.1
139.04001	5.9
141.01950	6.1
141.05591	25.2
141.06604	2.3
143.04623	32.3
145.54250	0.8
149.03558	27.9
149.82399	0.8
155.03514	5.4
157.06181	9.4
167.03473	54.1
167.04665	13.3
169.01408	46.7
175.75046	0.9
185.04527	48.4
193.02591	8.8
211.03687	43.9
229.03317	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0353
Annotation	CHEBI:133973
Peak:m/z	Relative Intensity
50.94714	0.6
57.03446	1.0
59.01387	0.7
60.21642	0.7
60.56072	0.7
67.01894	1.2
69.03448	5.6
70.02968	25.3
71.01382	5.5
72.00900	19.7
72.99301	60.7
74.66738	0.7
79.05531	4.0
81.03452	35.2
81.03907	1.7
87.05612	1.5
95.01368	1.5
95.02502	1.6
95.05032	7.0
96.00903	60.4
97.02936	10.9
97.06576	61.5
98.02479	1.2
99.04539	1.2
111.00880	3.2
111.04508	37.8
113.02345	2.8
113.03561	89.2
114.01952	98.2
121.04078	2.0
123.04507	100.0
123.05611	24.3
124.04032	1.8
125.02442	1.4
125.03551	4.6
131.04623	5.1
139.04001	5.9
141.01950	6.1
141.05591	25.2
141.06604	2.3
143.04623	32.3
145.54250	0.8
149.03558	27.9
149.82399	0.8
155.03514	5.4
157.06181	9.4
167.03473	54.1
167.04665	13.3
169.01408	46.7
175.75046	0.9
185.04527	48.4
193.02591	8.8
211.03687	43.9
229.03317	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	10.3
79.95741	2.3
81.47952	0.5
95.05025	5.6
96.00886	0.8
97.02957	0.8
97.06588	18.0
109.01719	0.5
111.04527	3.6
113.02425	3.7
114.01987	0.7
123.04523	15.4
124.93726	0.8
127.04095	0.4
141.05595	17.9
149.02431	1.8
155.03560	0.7
166.98441	2.1
167.03490	0.7
185.04576	12.2
185.08284	0.5
210.97531	0.6
211.03915	0.7
228.98834	3.4
229.03539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.21859	0.8
58.97059	0.8
61.11970	0.8
61.32262	0.9
68.95835	0.9
70.02972	22.2
71.01385	4.2
72.00909	20.4
72.99306	31.9
73.89029	0.9
76.58498	0.9
79.05504	1.3
79.85840	0.9
81.03455	18.7
87.05635	1.3
95.02499	1.8
95.05035	4.6
96.00915	65.8
97.02967	4.1
97.06580	34.5
108.67684	1.1
111.04517	23.8
111.85228	1.0
112.26919	0.9
113.03567	90.8
114.01960	100.0
121.04102	1.8
123.04516	49.2
123.05626	27.3
124.04016	1.8
124.98311	1.0
125.03577	4.7
131.04616	5.4
139.04025	1.2
141.05600	12.8
143.04639	28.5
149.03566	32.7
155.03482	1.8
157.06125	9.9
167.03481	27.5
167.04668	11.4
169.02525	1.1
185.04526	29.1
193.02530	10.0
211.03680	44.4
229.04573	12.8
229.10786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55149	1.6
67.35226	1.8
70.02969	26.5
71.01359	2.3
72.00911	20.4
92.57076	1.6
96.00305	2.9
96.00913	66.1
99.67110	1.7
101.09671	1.7
112.04090	1.6
113.03564	93.7
114.01962	100.0
123.05657	28.7
124.04146	1.7
125.03522	3.6
143.04620	32.1
149.03571	25.5
157.06184	10.5
159.75159	2.0
167.04674	14.6
193.02548	12.0
198.43411	1.7
211.03632	52.3
212.22125	1.9
229.04642	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41203	0.7
57.96696	0.7
58.02973	1.0
67.64281	0.7
69.03454	1.4
70.02971	26.6
71.01368	3.5
72.00904	21.7
72.99304	24.6
73.48275	0.8
77.10225	0.8
79.05519	0.9
81.03457	14.5
81.85333	0.7
82.72591	0.7
87.05620	1.4
95.02486	2.7
95.04995	1.2
96.00904	66.3
97.02943	4.1
97.06584	31.4
103.06622	0.7
111.04507	16.7
113.03566	91.5
114.01955	100.0
121.04126	1.0
123.04513	38.8
123.05629	25.4
124.04011	3.5
125.03539	6.1
131.04613	4.3
139.03992	4.3
141.05598	10.4
143.04622	34.0
149.03564	27.1
155.03494	1.6
157.06163	9.3
167.03473	26.6
167.04649	11.2
168.09315	0.7
169.01401	5.3
185.04504	21.1
193.02536	9.4
198.78563	0.9
211.03653	47.8
215.33189	0.8
229.04631	11.3
244.12474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68467	0.9
58.02977	1.4
64.49029	1.0
68.63911	1.0
70.02975	28.0
71.01377	2.8
72.00902	19.3
77.91838	0.9
81.92204	1.0
87.05624	1.6
95.02481	1.2
96.00910	59.6
98.02483	1.6
104.77260	1.1
113.03564	79.3
114.01960	100.0
121.04052	1.2
123.05649	23.5
124.04018	2.0
125.03565	6.2
130.45828	1.2
130.85965	1.3
131.04652	5.1
132.03030	2.5
143.04628	29.5
149.03561	24.1
157.06192	9.8
158.27069	1.1
167.04614	15.5
185.05702	2.0
185.16121	1.5
193.02556	10.7
211.03621	45.7
229.04704	12.6
248.46252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57605	0.8
55.90987	1.0
56.31509	0.9
62.98557	0.9
70.02979	19.0
71.01367	4.5
72.00904	19.6
72.99302	20.2
79.15862	1.0
81.03452	11.0
87.05639	1.8
95.02498	2.2
96.00907	61.5
97.02943	1.8
97.06570	18.9
111.04508	14.8
113.03558	84.2
114.01955	100.0
123.04507	30.0
123.05627	24.3
123.48374	1.1
124.03977	2.0
125.03567	4.2
131.04608	5.3
132.03038	1.1
138.00299	1.2
139.03990	1.6
141.05524	7.7
143.04625	27.6
149.03563	22.4
157.06165	9.0
167.03416	18.4
167.04706	13.8
169.01399	7.2
185.04483	14.0
193.02544	12.3
211.01830	2.0
211.03653	45.8
220.60474	1.2
229.04565	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45363	1.5
56.42659	1.4
56.48329	1.5
70.02978	26.3
72.00905	15.6
72.41011	1.7
72.99303	3.6
81.03424	2.0
96.00900	68.1
96.48013	1.6
97.06600	2.9
108.99232	1.8
113.03569	89.4
114.01958	100.0
119.08666	3.3
122.05208	2.1
123.04552	7.0
123.05632	23.3
124.04095	2.2
125.03511	2.2
131.04625	3.7
143.04640	30.1
149.03545	22.7
157.06180	11.9
167.03407	3.5
167.04648	12.5
185.04428	2.5
193.02509	9.2
211.03618	36.8
211.39250	2.2
229.04700	19.7
229.10742	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58101	0.9
54.08946	1.0
54.95119	1.0
55.28162	1.0
57.03445	1.2
58.02965	1.2
70.02975	26.0
71.01369	4.5
72.00905	23.5
81.90028	1.1
83.67104	1.1
95.02491	1.1
96.00903	65.2
113.03566	85.7
114.01957	100.0
119.08648	2.6
123.05650	26.1
124.03905	1.1
125.03557	5.4
131.04643	2.7
132.02972	2.1
143.04617	32.9
149.03560	27.4
157.06174	9.6
167.04660	12.1
185.05696	1.5
193.02475	8.7
198.57916	1.1
211.03621	45.5
229.04694	14.9
229.10803	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03852	1.2
70.02978	26.6
71.01387	3.8
71.22037	1.4
72.00897	20.7
84.59224	1.6
87.05637	2.4
89.37338	1.7
92.22485	1.9
93.86458	1.6
95.02485	2.9
96.00909	66.9
113.03556	81.0
114.01955	100.0
121.04034	2.5
123.05648	32.3
124.04057	2.6
125.03534	4.2
131.04628	7.0
143.04623	31.6
149.03569	28.3
157.06195	9.8
167.04623	12.3
174.65265	1.9
193.02554	11.1
211.03615	47.8
229.04645	11.4
229.06841	1.8
234.15602	1.9
242.82961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38350	1.2
58.02939	1.3
63.17381	1.5
70.02976	25.2
72.00906	18.6
87.05622	2.7
96.00908	55.9
98.23074	1.7
113.03568	80.2
114.01958	100.0
123.05654	23.6
124.04053	2.1
125.03539	2.0
131.04581	2.6
132.03026	3.1
143.04605	32.7
149.03557	29.5
157.06154	9.2
167.04608	17.3
185.05702	3.5
193.02507	8.8
200.21382	1.6
211.03636	51.0
229.02560	3.0
229.04640	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.087
Annotation	Naproxen
Peak:m/z	Relative Intensity
51.41669	0.2
59.01344	0.2
60.81728	0.3
63.83278	0.2
76.75240	0.2
81.03429	0.5
81.57069	0.3
91.05524	1.0
93.03419	0.5
97.39859	0.3
101.81623	0.3
107.04998	1.9
120.54443	0.3
131.05025	3.0
140.49339	0.2
143.04984	0.4
143.08649	0.3
149.85716	0.3
156.05798	4.5
157.06538	0.3
167.14383	2.6
170.07336	0.3
185.09726	100.0
209.80922	0.3
211.13354	3.7
217.68542	0.3
220.37444	0.3
229.02620	1.1
229.05212	0.5
229.08717	13.1
229.14462	6.8
229.16479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.5
58.49942	0.5
59.01383	0.6
71.01405	0.5
71.05032	0.6
72.99302	0.6
81.03480	0.6
83.05018	2.5
85.02932	1.0
95.05004	1.3
95.47074	0.5
97.06523	0.8
99.04523	0.8
99.52765	0.5
109.06580	9.8
111.08158	1.3
113.02455	0.9
114.01932	0.6
115.92036	0.6
116.92867	2.7
119.08656	31.9
121.06581	3.6
123.08198	0.7
125.02435	0.5
127.07658	6.6
127.74099	0.7
131.08675	5.9
137.09718	12.7
139.07634	8.6
149.09737	6.1
155.10753	3.8
165.57378	0.6
167.10770	3.2
185.08286	0.6
185.16602	0.7
197.59540	0.6
224.01939	0.6
228.98091	0.9
229.07518	7.0
229.10812	100.0
229.15456	2.4
230.38515	0.6
232.19623	0.6
247.16096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1082
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
50.37784	0.9
57.03447	1.4
57.27817	0.7
57.61044	0.8
58.33375	0.7
66.26720	0.7
69.36357	0.8
69.72264	0.8
70.34344	0.8
87.81892	0.8
96.38313	0.8
125.09695	1.3
127.11266	1.1
135.16969	0.9
139.11325	1.1
141.12869	5.8
147.77457	0.8
167.10802	3.8
185.11833	100.0
187.05095	4.5
201.11430	1.4
201.37384	0.8
211.13274	1.0
229.06197	18.6
229.08292	1.3
229.08725	1.1
229.10820	16.0
229.14403	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1082
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
56.30853	0.4
57.03454	0.7
58.00599	0.9
58.92619	0.4
61.45951	0.3
71.05020	0.8
73.27394	0.3
83.05024	2.2
84.80873	0.4
85.02953	1.9
93.03444	0.9
94.74581	0.4
98.85153	0.4
99.04523	0.6
111.04507	7.1
111.08147	4.6
123.08157	8.6
125.09769	1.6
127.11298	2.9
134.98846	0.4
137.09717	17.4
139.07672	0.6
139.11290	21.2
141.09193	4.6
142.01410	0.5
149.03116	0.4
149.06351	0.5
149.09717	16.8
151.07733	0.5
152.08401	5.5
155.10777	2.2
167.10770	100.0
169.04805	0.4
185.11865	0.9
211.09863	0.5
229.10809	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
67.87186	0.8
96.96042	1.0
102.30717	1.1
125.09705	1.4
139.11313	2.1
153.12856	96.0
159.90924	1.1
197.11848	100.0
211.13452	2.1
212.13582	1.2
215.12889	99.7
229.02557	1.4
229.14426	31.5
229.18141	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.95753	0.3
55.96406	0.3
57.03429	0.4
59.13147	0.3
68.28038	0.3
69.44372	0.3
71.05006	0.5
83.05042	0.3
88.08033	0.4
90.33747	0.3
97.06551	0.3
98.07555	0.3
106.12523	0.3
125.09727	3.8
127.11276	3.4
127.12054	0.4
129.98042	0.3
153.42271	0.5
155.14401	3.3
165.12856	0.5
167.14388	2.1
183.13976	0.5
187.58047	0.4
209.11877	2.1
211.09096	0.3
211.13393	4.7
229.14449	100.0
239.45674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03435	0.4
65.13151	0.3
71.86721	0.4
80.19859	0.3
83.05021	0.3
85.02937	0.5
92.23126	0.4
108.86548	0.3
125.09695	2.0
127.11291	3.9
148.76901	0.4
155.14453	0.4
165.12794	0.5
167.10732	1.9
167.14372	2.5
171.10242	4.1
183.13899	1.4
185.11836	1.4
193.12393	0.8
209.11835	3.5
211.13414	11.5
229.14452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03441	0.5
71.86884	0.3
83.05038	0.4
85.02952	0.4
125.09682	2.4
127.11272	4.2
133.02890	0.3
155.14458	2.8
165.12814	0.4
167.14412	2.2
171.10255	3.3
183.13898	1.5
185.15538	0.5
199.13295	0.4
209.11868	3.2
211.13414	8.0
229.14462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.22163	0.3
57.03445	0.3
57.84425	0.3
58.95815	0.3
60.14987	0.3
63.98933	0.3
64.47616	0.3
72.97684	0.3
81.11764	0.3
93.43487	0.3
107.76745	0.3
110.89693	0.4
150.92612	0.4
165.12917	0.4
167.14413	38.6
185.15466	1.6
187.61722	0.4
211.13416	76.8
229.14461	100.0
235.72357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03461	1.1
59.01384	100.0
65.88601	0.7
67.78500	0.7
70.96338	0.6
90.09173	0.8
111.08160	0.9
113.59147	0.7
115.07596	1.2
169.12363	7.9
211.13374	1.2
220.71432	0.7
229.02747	1.4
229.05026	1.2
229.14456	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03093	0.6
57.03445	0.6
59.01384	100.0
67.64874	0.6
69.54913	0.6
72.80563	0.7
78.94572	0.7
91.00710	0.8
102.95594	0.7
125.09741	0.9
127.72705	0.8
158.50648	0.9
167.10796	0.8
169.12341	4.1
185.11813	12.8
194.77881	0.7
211.13394	1.7
214.96126	0.7
228.00771	0.7
229.05023	1.0
229.10759	3.2
229.14455	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03453	22.3
59.01389	4.8
60.78703	0.4
65.95012	0.4
69.03453	0.5
83.05013	0.5
85.06592	2.8
97.06623	0.7
99.04519	26.6
99.26157	0.5
109.04142	0.6
111.08145	5.1
113.06097	1.0
113.09754	0.7
123.08146	0.5
127.07656	1.8
129.09218	100.0
136.37169	0.5
138.18661	0.6
138.49980	0.6
141.09267	0.9
141.12859	1.0
152.73877	0.4
158.68283	0.5
169.12422	0.6
185.15463	2.0
211.09821	0.6
211.13423	10.8
228.98137	0.6
229.03220	2.4
229.10780	3.1
229.14462	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
58.69666	0.3
59.01365	0.4
69.50964	0.3
72.24483	0.4
76.76760	0.3
83.75654	0.3
96.95966	0.4
183.17542	5.6
211.17067	0.9
229.14392	3.3
229.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1809
Annotation	O-11
Peak:m/z	Relative Intensity
56.03758	0.3
59.01359	0.5
92.23204	0.3
96.96001	0.9
137.04817	0.5
149.14499	0.4
167.14395	0.9
183.17545	4.3
207.51587	0.4
211.13458	1.7
211.17064	2.3
229.14386	3.3
229.18092	100.0
245.13808	0.4
245.36568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42388	0.8
73.01154	1.5
82.02977	2.6
85.37391	1.0
94.93684	1.2
96.04558	22.4
98.99088	4.4
108.04546	21.0
110.44294	1.1
112.79536	1.3
114.00181	59.5
142.03322	100.0
186.02295	37.0
230.01283	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
63.00417	1.0
66.83301	0.9
73.01173	1.6
75.76171	0.9
78.27386	1.1
82.02991	4.1
83.01447	1.0
86.02467	9.3
96.04547	27.2
98.02480	4.8
98.99097	8.2
108.04549	36.4
111.35133	1.3
112.04009	1.7
114.00185	63.3
140.18970	1.3
142.03320	100.0
152.03525	7.3
184.09720	1.4
186.02298	40.4
186.03894	1.8
186.11345	2.4
227.77568	1.1
230.01291	87.4
230.10353	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
52.99888	0.9
56.29939	0.9
59.22596	1.0
69.18963	1.0
73.01150	1.6
82.02993	5.7
82.10373	1.2
96.04554	23.0
98.99125	1.7
101.98537	0.9
108.04549	25.1
108.08131	1.2
113.21249	1.1
113.99353	1.7
114.00180	61.4
142.03323	100.0
150.06708	1.6
152.03584	1.1
186.02304	39.6
230.01306	74.8
230.06389	1.5
230.10297	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
56.49596	0.8
73.01170	1.2
76.51529	0.8
80.05066	0.8
82.02979	4.0
83.89205	0.7
90.43217	0.6
96.04547	20.3
96.39448	0.8
98.02504	1.4
98.99086	2.9
107.44337	0.8
108.04553	26.7
108.35960	0.7
113.28691	0.7
114.00188	64.8
131.76372	0.7
142.03319	100.0
156.10277	1.0
172.09799	1.0
186.02312	36.4
202.05087	1.1
230.01280	69.7
230.10283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54126	1.2
53.96399	1.1
59.01381	27.0
73.24277	1.3
82.02988	5.4
90.97760	1.3
96.04546	26.5
98.02485	3.3
98.99106	2.1
105.33112	1.5
108.04542	24.9
114.00185	63.4
118.38063	1.4
125.09698	13.4
125.77821	1.4
142.03322	100.0
146.79366	1.7
165.81599	1.3
170.11859	17.4
184.09799	5.3
184.13451	1.9
186.02306	39.7
186.11397	6.0
229.98967	2.6
230.01306	78.8
230.03738	7.6
230.10403	12.8
230.13936	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49544	1.5
53.94634	1.8
60.96313	1.6
63.59722	1.8
67.72005	2.0
70.02984	3.3
71.01379	13.5
75.00871	2.2
77.07526	1.8
88.04036	4.4
96.00909	100.0
98.02455	2.4
111.03296	1.9
114.01958	85.7
114.05540	3.0
115.00352	31.6
130.08752	30.6
132.03104	2.5
133.67024	1.9
140.07204	2.4
142.08809	2.3
168.03004	29.9
168.10284	4.2
172.09866	2.7
212.02019	10.6
212.09326	3.3
219.73450	1.9
230.03026	21.1
230.10350	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.046
Annotation	Eglinazine
Peak:m/z	Relative Intensity
59.01393	0.5
59.35593	0.3
63.74326	0.3
90.92460	0.4
107.71550	0.4
118.02966	0.8
130.06590	0.5
158.06110	100.0
172.48972	0.4
186.05608	44.6
202.05078	2.7
212.59715	0.4
230.04596	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.067
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
56.38231	1.2
59.01386	34.8
72.04546	7.5
72.64764	1.4
82.02979	22.9
83.01380	12.5
84.04544	3.4
88.39194	1.4
96.00926	7.4
96.61509	1.5
98.01886	1.6
98.02478	28.3
99.00887	2.2
100.04050	6.2
102.05608	100.0
114.01957	8.3
114.09222	21.3
115.00318	1.9
140.07201	2.7
142.08691	2.7
142.12314	1.8
153.09181	1.7
168.06674	47.8
170.11864	15.8
184.06145	5.7
186.07713	27.7
202.05205	3.2
212.05682	9.4
230.04568	6.9
230.06685	65.6
230.13989	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
59.01376	5.6
64.58619	2.0
65.06629	2.2
71.01374	10.2
72.04546	4.7
82.02990	24.6
83.01379	12.3
84.04534	15.4
85.02938	5.2
88.04021	3.2
96.04539	4.0
97.06574	2.0
98.02473	29.1
99.00857	3.0
100.04030	8.4
101.02463	2.4
102.05601	100.0
102.85600	2.0
108.04571	2.5
109.41102	2.1
112.07638	2.7
114.05622	21.2
114.09239	17.2
115.00361	11.4
115.03989	4.6
124.07642	10.3
126.01886	2.8
127.03992	3.2
127.99891	3.2
128.03540	11.0
132.03011	2.7
137.03825	2.4
138.05591	3.0
140.07132	10.4
142.05101	3.7
146.04588	4.1
150.05547	5.4
156.06648	2.4
158.08221	8.6
164.22644	2.1
168.06651	59.9
174.27469	2.3
184.06189	5.3
186.07703	38.5
212.05620	17.1
212.09340	2.8
230.04599	3.9
230.06705	85.1
230.10187	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65810	0.5
63.76869	0.6
65.90161	0.6
69.83791	0.6
76.40610	0.6
77.04524	0.6
86.02470	1.0
98.06108	45.5
102.45956	0.7
110.06075	1.0
114.05609	0.9
124.07694	4.9
140.07175	14.1
142.05083	1.0
142.08740	4.4
156.06657	3.6
162.93593	0.8
168.06618	1.0
186.07719	100.0
212.05589	2.4
230.06700	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.48038	0.7
53.75627	0.8
54.51364	0.8
58.02957	0.9
59.01366	1.0
60.49840	0.9
64.80956	1.0
65.60468	0.8
69.75259	1.1
73.25454	0.9
89.90785	1.1
96.04547	1.1
98.06109	41.9
102.05608	1.2
122.06017	1.2
124.07683	4.1
126.09248	1.9
130.16333	1.0
130.82472	1.0
140.07201	12.4
142.03300	1.3
142.05066	1.6
142.08713	7.5
146.04634	1.1
156.06705	1.8
170.08228	1.2
186.07715	100.0
188.09296	10.6
212.05661	4.8
230.06691	89.3
230.10257	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00959	0.5
56.03863	0.4
74.09083	0.5
83.97498	0.6
84.04533	0.5
86.02479	1.0
98.06110	44.7
113.10079	0.5
114.05618	0.7
124.07690	4.6
140.07185	12.4
142.05049	1.0
142.08742	5.2
156.06668	2.9
168.06691	1.0
186.07727	100.0
212.05698	2.9
230.06705	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.067
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
54.57589	0.7
59.45320	0.8
62.94007	0.7
68.47515	0.8
68.77895	0.7
86.02485	1.2
96.04575	1.1
98.06112	48.2
124.07678	3.9
127.40974	0.8
140.07198	14.1
140.77966	1.0
142.08739	5.2
156.06657	4.3
168.06737	1.8
186.07722	99.6
212.05696	3.4
230.06706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00959	0.5
56.03863	0.4
74.09083	0.5
83.97498	0.6
84.04533	0.5
86.02479	1.0
98.06110	44.7
113.10079	0.5
114.05618	0.7
124.07690	4.6
140.07185	12.4
142.05049	1.0
142.08742	5.2
156.06668	2.9
168.06691	1.0
186.07727	100.0
212.05698	2.9
230.06705	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48038	0.7
53.75627	0.8
54.51364	0.8
58.02957	0.9
59.01366	1.0
60.49840	0.9
64.80956	1.0
65.60468	0.8
69.75259	1.1
73.25454	0.9
89.90785	1.1
96.04547	1.1
98.06109	41.9
102.05608	1.2
122.06017	1.2
124.07683	4.1
126.09248	1.9
130.16333	1.0
130.82472	1.0
140.07201	12.4
142.03300	1.3
142.05066	1.6
142.08713	7.5
146.04634	1.1
156.06705	1.8
170.08228	1.2
186.07715	100.0
188.09296	10.6
212.05661	4.8
230.06691	89.3
230.10257	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86256	0.5
60.29671	0.6
63.80287	0.8
66.26878	0.6
69.94141	0.6
72.00321	0.7
86.02467	0.7
98.06113	44.0
99.13638	0.8
124.07703	6.0
140.07190	13.7
142.05074	0.9
142.08727	3.8
156.06664	3.9
158.11826	0.7
186.07726	100.0
212.05728	1.5
230.06709	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0823
Annotation	Bruceolline I
Peak:m/z	Relative Intensity
53.74483	0.4
63.56678	0.4
63.65050	0.4
66.03485	3.3
66.93118	0.4
77.94755	0.4
82.44135	0.4
92.23109	0.5
93.72593	0.4
94.02978	100.0
100.73671	0.4
101.38114	0.4
108.45036	0.5
126.71193	0.5
127.59249	0.4
142.06664	0.4
181.64690	0.4
207.85582	0.4
230.08247	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04885	0.3
55.86137	0.3
55.98457	0.4
72.04551	1.7
76.28405	0.4
82.02986	2.2
98.02465	8.4
98.99040	0.4
99.00884	2.4
106.86684	0.4
111.03247	6.2
119.17929	0.4
130.08731	100.0
133.55743	0.4
137.36339	0.4
140.07170	3.7
140.10802	2.9
142.12390	6.9
161.73311	0.4
168.10289	23.3
173.04797	2.5
186.64363	0.5
202.18340	0.4
212.09296	20.2
229.73932	0.5
230.08313	0.8
230.11951	16.1
242.53642	0.5
247.31551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63583	0.5
56.01402	0.6
57.03433	0.7
72.00906	1.3
72.04551	2.6
74.15938	0.6
76.79520	0.6
80.42822	0.6
83.05024	1.3
85.06576	6.8
100.04027	1.4
101.06067	2.5
103.96323	0.6
109.02950	0.6
113.06081	1.0
113.09709	1.1
114.09239	19.3
114.83579	0.5
120.35907	0.6
129.05589	7.8
140.10811	2.6
141.09204	5.5
142.08739	100.0
150.09177	0.7
168.10303	94.4
186.07773	12.9
186.11360	41.7
230.10321	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29805	0.6
63.82938	0.6
65.41595	0.6
67.57383	0.6
72.04523	1.0
74.29639	0.8
79.01702	0.6
82.02979	2.7
83.69773	0.6
86.68299	0.9
98.02468	12.8
99.00867	4.0
111.03290	2.3
112.07691	0.8
130.08736	100.0
140.07173	8.6
140.10768	1.0
142.12366	5.7
154.08730	1.3
158.06013	0.9
168.10295	21.1
168.11652	0.7
186.05646	0.7
192.18910	0.6
192.87898	0.7
198.07684	1.1
212.09305	31.3
230.04472	1.0
230.10184	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57566	0.3
59.01384	3.6
72.04543	2.1
73.89901	0.3
77.56558	0.4
82.02975	2.3
83.42681	0.3
98.02467	13.9
99.00851	3.3
111.03207	1.3
112.07676	0.6
130.08733	100.0
140.07182	8.2
140.10822	2.3
142.12340	4.1
158.08179	0.4
168.10280	19.7
170.11864	1.6
184.10620	0.4
186.11340	0.5
200.20764	0.4
209.10977	0.4
212.09299	33.8
220.81622	0.4
230.10690	0.7
230.13956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04885	0.3
55.86137	0.3
55.98457	0.4
72.04551	1.7
76.28405	0.4
82.02986	2.2
98.02465	8.4
98.99040	0.4
99.00884	2.4
106.86684	0.4
111.03247	6.2
119.17929	0.4
130.08731	100.0
133.55743	0.4
137.36339	0.4
140.07170	3.7
140.10802	2.9
142.12390	6.9
161.73311	0.4
168.10289	23.3
173.04797	2.5
186.64363	0.5
202.18340	0.4
212.09296	20.2
229.73932	0.5
230.08313	0.8
230.11951	16.1
242.53642	0.5
247.31551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98790	0.3
72.04536	1.7
72.19579	0.3
81.22060	0.3
82.02978	2.6
94.41041	0.3
96.04571	0.7
98.01875	0.5
98.02470	7.8
99.00878	2.9
105.98698	0.3
108.04571	1.5
111.03255	6.2
114.00186	2.6
116.03584	0.3
125.98847	0.3
130.08733	100.0
140.07161	4.4
140.10812	2.1
142.03336	4.0
142.12375	8.1
150.09244	0.3
168.10298	23.0
186.02338	1.3
186.11375	0.5
212.09303	17.5
220.75110	0.3
230.01225	3.2
230.10374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29805	0.6
63.82938	0.6
65.41595	0.6
67.57383	0.6
72.04523	1.0
74.29639	0.8
79.01702	0.6
82.02979	2.7
83.69773	0.6
86.68299	0.9
98.02468	12.8
99.00867	4.0
111.03290	2.3
112.07691	0.8
130.08736	100.0
140.07173	8.6
140.10768	1.0
142.12366	5.7
154.08730	1.3
158.06013	0.9
168.10295	21.1
168.11652	0.7
186.05646	0.7
192.18910	0.6
192.87898	0.7
198.07684	1.1
212.09305	31.3
230.04472	1.0
230.10184	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1398
Annotation	Isobutyryl-carnitine
Peak:m/z	Relative Intensity
57.35841	0.6
59.01384	73.9
60.40556	0.6
63.96369	0.7
70.87967	0.7
72.04529	1.1
82.02988	3.1
82.59586	0.7
98.02477	7.6
99.00851	2.9
111.03252	5.2
116.27296	0.7
125.09711	8.4
130.08734	100.0
130.28717	0.7
140.07191	4.0
140.10899	1.5
142.08737	0.9
142.12383	13.3
150.09105	0.9
158.08315	0.9
168.10306	23.2
168.13957	0.9
170.10411	1.4
170.11873	42.0
184.13460	0.9
212.09303	18.5
212.12947	0.8
230.10399	1.4
230.13979	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1398
Annotation	Isobutyryl-carnitine
Peak:m/z	Relative Intensity
53.08765	2.7
54.35589	2.8
70.66727	3.2
77.29984	3.0
87.04872	3.5
97.93906	4.0
104.46464	3.3
119.79147	3.6
121.94123	3.4
183.13931	24.0
186.79146	3.7
230.13995	100.0
249.76021	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1398
Annotation	Isobutyryl-carnitine
Peak:m/z	Relative Intensity
51.20496	0.7
52.62531	0.6
60.64347	0.6
63.26892	0.6
68.57304	0.6
78.00384	0.7
86.02454	1.4
93.03459	0.7
93.30748	0.6
111.32866	0.7
113.22076	0.7
127.09401	0.7
156.13945	8.6
158.06105	6.4
159.04497	1.1
166.12372	4.2
167.10799	5.5
169.12349	3.9
184.13438	54.3
186.05629	6.4
200.86270	0.8
213.34605	0.8
230.04518	3.6
230.11874	7.6
230.13976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36089	0.5
86.40327	0.7
156.13934	7.8
166.12373	3.2
167.10826	5.0
169.12352	4.4
184.13440	54.9
230.13988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97517	2.6
70.24405	0.6
79.95720	5.0
80.96511	77.8
99.14046	0.6
120.99648	1.4
124.93737	9.7
141.93997	1.0
142.94783	100.0
150.44519	0.6
151.03998	2.5
168.96350	20.5
198.42937	0.7
227.91498	0.7
230.96385	15.0
241.59245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.9
69.03467	1.2
71.01357	1.0
72.99308	22.3
73.02974	1.6
81.03455	6.9
83.01384	2.5
83.05012	4.6
92.22543	1.5
93.03470	1.8
97.02946	44.4
108.02160	4.7
109.02201	1.5
109.02942	46.0
109.03658	2.1
111.04510	18.2
111.37992	1.4
112.17042	1.0
115.04044	1.2
127.04004	4.5
141.05595	16.3
152.62018	1.2
153.01848	1.7
154.69057	1.1
155.03476	10.6
159.02966	2.1
169.05052	1.2
179.61934	1.4
185.04565	100.0
186.78947	1.1
187.06186	4.9
199.02515	1.8
203.05626	17.4
231.05110	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26194	1.2
67.05543	1.5
69.03434	1.6
71.05010	1.5
72.99306	38.1
73.02931	11.5
81.03465	12.6
83.01380	13.2
83.05025	66.8
93.03453	14.5
97.02944	15.6
98.02462	2.2
99.00868	3.3
99.04517	3.2
108.02169	5.9
109.02955	46.9
109.03645	1.8
111.04514	54.0
113.00685	1.9
113.06104	1.3
115.04005	28.2
121.66657	1.4
125.02458	3.0
125.06063	9.0
126.16027	1.3
127.04013	22.5
127.04943	2.5
128.03520	5.6
136.36426	1.4
137.02435	7.8
141.05603	17.4
143.01718	1.9
143.07082	1.7
151.04044	2.1
153.01974	2.2
155.03505	33.1
157.05090	2.3
159.02957	2.8
169.05072	36.2
171.02972	2.0
185.04564	81.1
187.06140	30.1
199.02461	21.9
200.44186	1.4
203.05632	14.6
213.03981	12.4
213.08810	1.8
231.05115	100.0
231.09865	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61852	1.0
56.89293	0.9
58.00589	1.1
62.67706	0.9
69.03445	2.1
72.99300	23.7
74.14153	1.1
81.03462	5.7
83.01388	4.9
83.05033	1.9
93.03473	1.6
93.46566	0.9
97.02942	44.9
108.02179	7.0
109.02944	50.5
109.04080	1.3
111.04519	16.2
127.04002	6.9
137.02414	1.9
141.05580	19.0
153.01877	1.7
155.03490	10.2
159.03015	4.5
169.04999	1.5
185.04564	100.0
187.06114	4.7
194.86488	1.1
199.02531	2.5
202.74387	1.1
203.05659	14.3
231.05116	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34028	0.5
52.51996	0.5
53.45783	0.5
59.01381	1.0
69.03445	0.8
72.99303	26.8
73.02946	1.4
80.85281	0.6
81.03466	4.9
83.01368	3.8
83.05022	3.1
85.27112	0.7
97.02944	51.1
108.02164	3.4
109.02193	1.5
109.02946	47.5
111.04512	14.8
123.04507	0.8
124.16602	0.7
125.02463	1.0
125.06085	1.1
127.03993	4.4
137.02440	1.2
141.05588	17.4
153.01915	3.1
155.03502	8.0
157.07317	0.7
159.02988	4.4
171.03052	0.7
185.04565	100.0
187.06107	1.3
199.02473	3.4
203.05612	16.3
231.05121	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0776
Annotation	34M
Peak:m/z	Relative Intensity
51.14128	0.4
53.22135	0.4
58.02981	0.8
64.65080	0.4
70.02971	9.9
71.51982	0.5
72.00885	0.4
75.00864	0.6
78.88317	0.5
83.61190	0.5
86.02427	0.5
96.95975	1.8
97.56658	0.4
108.54063	0.4
114.01955	92.0
116.05048	100.0
135.41626	0.5
145.02937	0.5
145.86797	0.5
155.10721	0.6
167.00107	0.5
188.04922	0.6
191.60852	0.5
231.03082	0.5
231.07825	1.0
231.12296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0873
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
50.76181	0.4
56.36711	0.4
57.03479	0.4
71.01347	0.5
81.07130	0.8
83.05004	0.7
87.04481	0.6
95.08686	2.1
98.02469	0.8
99.00870	5.5
99.02881	0.5
102.05615	2.3
103.05941	2.9
111.08115	1.5
113.09709	3.7
115.04015	0.9
125.09702	0.8
135.58395	0.5
138.03239	0.6
139.04018	2.0
139.07681	2.0
141.09248	0.7
151.03999	2.2
155.07159	18.1
157.08696	16.1
169.05057	14.0
169.08728	2.4
173.08223	2.0
181.32033	0.6
185.08188	2.1
187.06177	0.7
187.08197	1.1
187.09772	6.0
203.09242	1.0
213.04103	7.2
213.07715	2.0
222.19838	0.5
231.05417	10.1
231.08760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0875
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
51.24817	0.5
52.17630	0.5
52.67991	0.5
54.12032	0.5
59.47330	0.6
60.23553	0.6
62.49271	0.5
63.30534	0.5
67.65437	0.6
70.01888	0.6
77.80695	0.7
81.07108	0.6
83.05038	0.7
93.87375	0.6
95.08668	3.2
107.35217	0.7
111.08156	1.5
113.09717	4.3
139.07681	1.2
155.07124	14.7
157.08701	14.4
160.04050	1.0
169.05183	0.7
169.08727	2.6
173.08171	3.5
185.08192	1.4
187.09758	8.9
203.09242	1.4
231.08752	100.0
248.59152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26700	0.3
59.01375	0.4
69.03447	0.4
71.31401	0.4
72.11673	0.4
72.99322	0.4
77.77719	0.3
81.07105	0.5
83.05029	1.9
95.05016	0.3
95.08651	3.4
97.06582	0.5
97.78358	0.4
99.04496	0.7
100.64571	0.4
111.08150	1.7
113.09736	2.6
113.58689	0.4
115.03934	1.2
137.92838	0.4
139.07646	2.0
141.09169	0.5
147.01436	0.3
155.07152	15.3
157.08698	13.9
157.09897	0.8
167.07158	0.4
169.05022	3.0
169.08720	2.0
173.08170	4.0
183.06647	0.5
185.08235	1.5
187.09776	7.9
203.09291	0.9
208.43410	0.4
213.03999	0.8
213.07747	0.9
231.05011	2.5
231.08760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
64.35364	0.5
70.02981	0.7
71.01376	1.3
82.02984	1.0
85.06628	0.8
113.06076	4.0
120.69408	0.5
123.08177	0.6
126.06831	0.7
129.53772	0.6
130.08633	0.6
137.99283	0.5
138.09218	4.9
139.07646	1.1
140.10818	44.6
165.43459	0.6
184.09793	100.0
231.08717	0.6
231.40948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01384	1.3
78.91859	0.6
87.00854	3.0
95.48258	0.8
109.06566	1.1
123.08164	0.8
125.09718	16.1
137.09721	3.0
153.09203	76.4
155.10776	34.5
155.11774	0.7
169.12308	0.9
171.10280	16.2
181.08644	1.3
185.11845	17.0
188.97385	0.8
189.29614	0.8
199.09767	9.2
231.03023	1.3
231.12370	100.0
231.15793	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20256	0.5
59.01383	0.6
61.29861	0.5
62.31742	0.6
73.25481	0.5
75.00865	2.5
79.95740	0.8
83.99017	0.7
87.00864	1.2
92.27881	0.6
102.82476	0.7
104.44433	0.6
117.01917	1.1
125.09709	0.8
142.94745	0.9
151.11250	5.3
169.12344	37.4
171.10275	0.7
185.11844	49.8
193.39902	0.6
213.11382	6.6
231.12390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.124
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
50.69053	0.5
51.64111	0.5
52.82708	0.5
59.01382	18.8
82.03341	0.6
149.58769	0.6
151.11285	1.1
169.12346	28.9
171.10275	100.0
213.11342	8.4
231.12401	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
56.36718	0.4
59.01393	1.8
62.21442	0.4
62.97334	0.4
64.18892	0.4
65.27988	0.5
66.15295	0.5
68.99822	0.4
72.99297	6.8
75.00867	44.7
127.11291	1.1
139.11266	0.6
142.69736	0.5
155.10806	2.3
167.10796	1.0
171.10248	2.0
185.11829	0.7
198.57909	0.5
211.96222	0.5
213.14954	3.5
229.14449	2.0
231.12376	100.0
231.16023	75.2
248.52591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1602
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
53.37931	0.3
57.03447	0.4
69.80346	0.3
72.99303	6.8
75.00865	37.3
112.95372	0.3
127.11287	1.6
133.15695	0.4
138.05179	0.4
140.40488	0.3
145.64061	0.4
155.10760	0.8
167.10719	1.4
171.10229	3.9
213.14986	4.8
229.14525	3.1
231.12375	73.9
231.16014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60555	0.3
69.38457	0.3
73.35548	0.2
82.62914	0.3
141.12871	2.9
155.14413	0.6
157.12344	0.3
161.45413	0.3
179.52438	0.3
183.13922	4.2
185.11835	6.2
195.13957	0.4
199.13394	0.7
211.13498	2.5
213.15062	4.2
231.16023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2118
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
58.96337	3.7
60.01427	3.6
66.09422	3.6
75.32259	5.1
91.25838	4.8
168.09981	4.5
231.21176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41159	0.4
60.06556	0.4
68.29751	0.5
71.01392	0.7
72.99303	4.8
75.00867	12.1
81.95449	0.4
85.02962	0.5
86.31568	0.4
100.07661	0.5
102.05608	2.4
105.01937	0.4
105.56992	0.5
109.01691	7.1
112.03991	0.6
116.07167	17.7
125.66325	0.4
126.09251	7.0
128.07143	0.6
130.75273	0.4
144.06653	1.8
152.07179	3.2
154.05019	0.5
156.10277	1.8
158.08241	0.8
160.04001	0.7
170.08223	2.8
172.06233	0.5
173.04819	9.8
186.05699	4.4
186.07187	0.6
188.07185	100.0
191.67448	0.5
196.06149	13.0
214.05113	10.5
214.07240	6.8
225.58417	0.4
232.06163	41.8
232.07990	2.2
232.11847	14.0
232.13950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38070	0.7
53.92221	0.6
55.01882	1.2
59.01395	0.8
59.46358	0.6
69.68913	0.7
71.01376	7.8
72.99309	15.9
75.00871	14.5
81.65771	0.8
82.02982	3.0
92.23173	0.8
96.00910	7.1
97.57292	0.7
98.02465	3.1
99.00896	2.9
109.01685	48.3
114.01957	4.6
115.00423	0.8
116.07168	100.0
118.62153	0.8
124.04018	1.4
124.07678	1.9
126.09251	39.0
128.07161	4.6
137.59544	0.8
142.08740	3.7
152.07162	19.7
154.05110	1.9
158.08202	6.7
170.08234	17.0
173.04819	5.8
186.05708	1.7
186.07686	1.5
188.07191	65.3
196.06171	81.2
214.05165	6.5
214.07179	37.8
214.09337	0.9
232.02670	2.7
232.06136	24.9
232.08287	11.8
232.11830	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29704	0.5
55.01878	0.5
59.01381	0.6
61.73446	0.4
71.01379	7.7
78.36313	0.5
81.05299	0.5
82.02984	1.0
96.00895	2.6
98.02505	0.5
99.00875	1.1
100.07679	2.4
104.39807	0.6
109.01683	25.0
114.01963	2.5
114.89665	0.5
115.00360	0.9
116.07165	100.0
124.07631	0.9
126.09231	18.5
128.07170	18.6
152.07138	9.0
154.05135	1.3
156.14168	0.5
170.08217	9.3
172.06140	5.1
196.06155	37.2
214.07217	13.6
229.19009	0.6
232.08194	6.3
243.50833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04087	0.6
58.05155	0.8
59.01381	4.0
63.05031	0.7
71.01378	8.2
82.02972	0.7
82.87524	0.7
83.25934	0.6
96.00875	3.0
99.00880	1.2
100.07674	1.6
109.01692	23.9
109.02402	1.1
114.01967	3.0
115.00359	1.0
116.07166	100.0
126.09240	17.9
128.07178	20.0
137.32381	0.8
142.08766	1.4
152.07205	7.6
153.69734	0.6
154.05093	0.9
155.66031	0.7
169.67354	0.8
170.08199	9.5
172.06126	5.3
196.06168	38.0
214.07213	14.9
226.05841	0.8
232.06204	1.4
232.07985	5.7
232.10199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20745	1.4
55.01854	1.3
56.96778	1.1
57.03464	1.4
61.97770	1.2
65.40856	1.3
71.01381	8.4
72.99302	13.6
81.67353	1.5
82.03009	2.0
96.00880	5.6
98.02450	1.8
103.95106	1.4
109.00988	2.7
109.01692	50.6
114.01950	6.9
114.14729	1.7
116.07172	100.0
124.07658	2.2
126.09246	44.0
128.07182	6.0
142.08720	1.6
149.58281	1.3
152.07182	18.3
158.08232	8.9
170.08200	12.8
186.04945	1.6
186.07788	1.7
196.04384	3.0
196.06175	92.4
214.07208	39.9
232.08215	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
71.01385	7.8
90.42062	1.1
96.00913	1.9
100.07710	1.6
109.01691	22.1
115.00352	1.5
116.07172	100.0
117.09533	1.2
124.07655	1.3
126.09238	21.3
128.07172	15.0
152.07169	7.7
154.05043	1.4
163.57852	1.0
170.08234	6.7
172.06184	1.8
196.06184	39.3
214.07239	16.2
232.08257	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.83255	0.7
59.01378	3.2
71.01381	7.4
72.99304	13.8
73.48965	0.8
82.02987	0.9
96.00896	1.9
98.02512	1.6
99.00857	1.5
103.94101	0.8
109.01690	45.2
114.01975	3.4
114.09263	0.8
115.00342	1.1
116.07167	100.0
119.29465	0.8
126.09241	38.3
127.48907	0.8
128.07161	3.1
142.08714	1.5
152.07173	19.2
154.05161	1.1
158.08217	6.7
170.08240	14.5
186.04951	1.7
186.07805	1.1
196.06168	73.2
214.07216	39.6
232.05490	1.1
232.08287	9.2
247.91277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80595	0.5
55.26687	0.6
57.68427	0.7
58.59666	0.5
59.01385	0.9
66.57517	0.5
67.31064	0.5
68.04401	0.6
71.01378	7.8
72.26873	0.5
82.02993	0.8
96.00909	2.7
98.02449	0.9
99.00903	0.9
100.07697	3.0
109.01682	24.3
114.01963	1.4
115.00354	2.6
116.07168	100.0
124.07663	0.7
126.09232	20.4
128.07169	18.1
152.07162	8.5
170.08232	10.0
172.06146	4.9
186.07831	0.6
196.06172	38.4
214.07224	15.2
232.08305	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
59.66246	0.7
66.56277	0.7
71.01375	7.5
82.02980	1.5
82.93846	0.7
93.04299	0.8
94.23839	0.8
96.00903	3.4
98.02482	0.9
100.07694	1.4
106.42608	0.8
109.01684	23.9
109.82504	0.8
110.84344	0.8
110.89796	0.7
111.16843	0.7
114.01965	1.5
115.00374	1.0
116.07164	100.0
124.07693	1.0
126.09240	17.4
128.07161	18.4
133.65352	0.8
136.59274	0.7
152.07172	8.0
154.05107	0.8
170.08218	10.6
172.06174	4.5
186.04832	1.2
196.06155	39.7
214.07233	16.3
217.01431	1.3
222.17731	0.8
232.05782	1.1
232.08279	6.2
232.13428	4.6
248.23607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88021	0.9
55.01868	1.1
59.01387	10.1
70.86935	0.9
71.01382	7.2
72.01855	0.8
72.99308	13.9
82.02992	3.5
96.00900	6.5
98.02479	1.4
99.00847	2.3
109.01685	48.1
110.03272	1.1
114.01970	3.8
116.07169	100.0
121.17825	0.9
122.99120	1.0
124.07670	1.2
126.09248	38.2
128.07207	1.7
142.08743	1.7
152.07190	19.1
154.05067	4.0
158.08223	8.2
170.08232	16.8
171.71631	1.0
186.04950	1.7
186.07732	1.2
196.06168	86.9
214.07225	42.7
232.05946	1.8
232.08278	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12389	0.5
88.78931	0.6
95.40917	0.6
100.07673	4.1
102.02340	0.5
113.71455	0.6
116.07169	37.8
126.09237	1.3
126.83564	0.6
130.08745	3.1
143.59311	0.6
144.10312	15.2
174.07729	7.9
188.09294	100.0
232.11906	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0278
Annotation	2'-Hydroxybiphenyl-2-sulfinate
Peak:m/z	Relative Intensity
59.01382	60.4
60.99311	0.7
67.01881	1.8
68.16283	0.3
68.58811	0.3
93.03452	12.4
111.04530	2.3
137.11436	0.3
160.61705	0.3
161.00569	0.6
162.01460	2.6
173.04558	18.5
188.98537	1.9
189.00111	0.5
190.00952	8.3
216.59363	0.3
218.00438	100.0
232.97554	0.5
233.02788	24.2
233.06566	0.7
233.15459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03020	0.7
55.89527	0.8
55.89825	0.7
59.01106	1.7
59.01387	40.2
59.01683	1.5
64.64851	0.8
65.24888	0.7
68.71481	0.7
69.97919	0.9
75.56429	0.9
93.03459	9.6
119.67484	0.9
122.59743	0.9
140.90681	0.9
150.25830	0.9
173.04549	11.5
205.05348	12.3
219.06073	0.9
221.35832	0.9
233.04828	100.0
233.15578	1.5
241.90254	0.8
245.71524	0.8
245.95500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	ascr#11
Peak:m/z	Relative Intensity
57.03473	0.5
59.01383	39.2
71.01375	1.2
72.99307	12.5
75.00867	81.0
78.25561	0.6
83.05058	0.7
85.02939	1.4
93.03450	11.4
102.78689	0.6
103.86665	0.6
111.04520	2.8
111.08117	1.0
113.09711	1.3
115.40384	0.6
137.02415	1.2
140.29785	0.8
142.78816	0.6
147.84262	0.7
155.03534	2.4
157.08693	45.9
171.10283	7.8
173.04543	39.6
173.08189	1.3
187.09694	7.2
201.90045	0.6
215.09219	1.4
229.99669	0.8
233.06970	5.6
233.10315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13990	0.6
59.01382	38.8
72.99301	12.1
75.00868	81.1
85.02940	1.7
90.43047	0.7
93.03452	8.7
97.06592	0.9
102.74224	0.9
109.02901	0.9
115.07559	0.9
129.05580	3.0
147.06644	7.7
157.08704	41.5
162.41982	0.9
171.10263	8.7
173.04538	11.7
173.08319	1.1
187.09715	5.3
188.98694	1.8
214.96590	5.6
215.09259	1.6
232.97581	8.6
233.10323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82982	0.5
59.01383	45.9
61.24497	0.4
64.79616	0.5
67.01890	0.9
74.99068	2.9
93.00133	1.7
93.03441	10.0
99.17734	0.5
101.74735	0.5
111.04492	2.3
124.35120	0.5
134.99425	0.8
149.00957	44.3
154.04878	0.5
161.06354	1.1
173.04550	16.3
188.98521	0.7
217.07228	79.1
227.95485	0.6
233.10352	100.0
233.15373	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
79.38472	0.3
83.19261	0.3
93.03440	3.2
118.02975	9.3
119.05051	0.5
127.24123	0.4
136.04041	100.0
137.35780	0.3
146.06113	9.5
162.05620	4.1
190.05086	0.7
196.95673	0.3
205.05124	0.5
227.65071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	2.1
59.01380	13.8
60.01704	2.2
70.06612	10.5
71.01385	15.0
72.00912	12.4
72.41396	1.2
72.99306	2.0
74.02473	32.4
82.02979	1.8
84.04543	8.6
86.02479	14.4
89.02447	1.4
96.00915	1.2
98.02472	1.7
100.04016	5.2
110.02474	26.3
110.06114	23.8
112.00392	7.3
112.04047	12.8
115.00366	20.0
116.60786	1.4
118.05099	100.0
126.05618	10.7
128.03546	8.1
128.84987	1.2
130.01471	2.8
130.05121	3.0
132.94209	1.4
133.01430	44.0
144.06648	6.3
149.17242	1.3
154.01472	57.8
154.05070	25.7
158.04636	2.5
167.67282	1.3
170.04550	2.9
172.02528	19.3
172.06155	26.2
177.61644	1.3
188.05606	8.3
198.04079	21.9
216.05142	21.7
234.06194	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26966	1.4
58.02975	2.6
59.01379	13.6
62.09956	1.3
71.01363	11.7
71.64582	1.3
72.00908	10.9
72.99300	1.7
74.02469	26.3
82.02978	3.5
84.04552	7.2
86.02482	12.7
92.22476	1.4
96.00903	1.6
100.04033	6.0
110.02464	26.5
110.06112	24.2
112.00410	7.1
112.04044	12.5
115.00365	21.8
118.05099	100.0
126.05627	10.9
128.03532	10.7
129.11348	1.5
130.01431	5.1
130.05130	1.9
133.01431	50.2
136.04117	1.7
146.74243	1.4
150.91206	1.4
154.01463	68.0
154.02667	3.1
154.05078	30.7
172.02509	20.8
172.06158	27.0
174.04958	2.4
198.04057	21.3
214.14804	1.6
216.05150	27.2
234.06105	3.7
242.05638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	3.4
59.01389	12.6
60.01722	1.5
68.48520	1.5
70.06612	15.1
71.01379	13.3
72.00909	11.8
72.04533	1.4
72.99297	1.5
74.02473	31.6
77.78366	1.4
82.02995	1.9
84.04552	10.7
86.02467	15.0
98.02430	1.4
100.04038	6.1
100.07674	1.9
110.02465	25.0
110.06124	25.5
112.00412	6.7
112.04033	8.8
114.05594	1.8
115.00367	22.0
118.05097	100.0
120.50362	1.8
125.39570	1.6
126.05583	11.5
128.03534	7.2
130.01465	3.0
130.05090	2.1
133.01428	52.5
144.06654	12.6
146.77733	1.6
154.01453	65.5
154.05090	27.1
170.04657	2.7
172.02515	25.0
172.06134	27.7
188.05638	12.4
198.04103	23.7
212.48471	1.5
216.05090	22.2
234.06114	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0772
Annotation	Cherianoine
Peak:m/z	Relative Intensity
55.82035	0.5
56.21366	0.4
58.18122	0.4
58.76191	0.4
59.01385	1.8
78.14508	0.5
82.02972	1.1
82.61970	0.4
134.03754	4.3
136.04042	100.0
138.05594	3.2
149.06075	4.5
159.03252	0.6
175.04019	0.6
176.03592	0.5
190.05112	0.7
190.08855	0.5
234.07726	57.8
234.11475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85627	0.6
52.99160	0.7
57.04035	0.7
59.01383	1.8
59.92202	0.7
61.35825	0.6
71.05028	0.8
72.99304	33.4
72.99689	1.6
75.47838	0.8
81.03471	1.4
83.05026	44.1
86.61897	0.7
93.03444	0.8
109.02937	1.4
111.04517	27.7
111.25372	0.9
115.04005	31.0
119.05061	0.9
119.67279	0.8
127.04008	100.0
129.05583	10.5
137.02444	4.4
137.65704	0.8
155.03505	91.5
171.02998	7.3
173.04512	1.5
175.04085	0.8
176.04796	1.6
177.01854	0.9
184.67488	0.8
189.04076	6.5
199.02501	62.0
217.03548	53.2
235.04549	17.4
235.06493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18301	1.1
71.05013	3.0
72.99302	36.3
73.84688	1.6
81.03432	1.9
83.05025	50.9
84.80296	1.4
111.04512	39.3
115.03989	39.6
119.05025	24.3
122.98232	1.5
127.04008	100.0
129.05580	14.1
133.02968	2.8
135.51195	1.4
137.02499	2.9
144.65459	1.5
145.02936	1.9
147.04530	3.5
155.03505	84.3
163.04025	20.8
171.03011	3.7
173.04419	1.5
175.03989	2.6
176.04756	11.9
177.02013	2.3
189.04031	3.6
191.07159	9.0
199.02499	73.9
217.03554	64.5
230.37027	1.6
235.04469	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02031	1.1
71.05033	1.7
72.56718	1.2
72.99305	36.1
81.31724	1.1
83.05020	43.1
92.22740	2.5
109.25096	1.2
111.04508	34.5
115.04002	28.8
116.99989	1.2
117.79887	1.3
127.04004	100.0
129.05576	8.3
137.02422	5.1
141.01947	1.4
149.05856	1.3
155.03500	93.0
171.03026	7.4
173.04552	2.6
189.04114	7.6
191.69133	1.5
199.02495	72.0
217.03531	72.5
235.04596	24.5
247.68793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94582	0.9
59.01379	2.3
60.19278	1.0
61.74887	1.0
63.00777	1.0
72.99307	36.2
75.15390	1.0
81.03467	1.2
83.05021	49.8
93.03422	1.2
111.04510	29.8
115.03998	35.1
118.22019	1.1
127.04008	100.0
128.23842	1.1
129.05556	13.7
133.48932	1.2
137.02406	4.8
155.03510	88.6
171.02948	8.2
185.90044	1.2
189.04047	5.6
199.02501	68.4
217.03546	73.7
227.88698	1.1
235.04613	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97654	0.9
59.23811	0.9
71.05000	1.5
72.99305	37.8
72.99691	2.0
75.73918	1.0
77.28123	1.1
81.03432	1.0
83.05019	42.9
97.02926	1.6
111.04508	25.5
115.04000	33.6
127.04002	100.0
128.44014	1.1
129.05585	8.0
137.02454	5.2
154.85161	1.3
155.03494	85.6
171.02997	8.9
189.04054	7.0
199.02501	63.0
217.03531	63.9
235.04584	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65540	1.4
71.04996	2.0
72.99300	40.3
81.03413	1.6
83.05019	48.4
85.06561	1.3
93.03451	1.6
93.22372	1.3
111.04504	35.0
115.04002	33.1
119.05033	9.3
127.04008	100.0
129.05568	14.5
137.02451	2.7
142.74031	1.5
155.03500	92.9
163.04002	8.3
171.03004	7.9
173.04593	2.6
173.06055	3.0
185.62122	1.3
189.04022	6.6
191.07216	1.4
199.02495	74.8
217.03528	74.6
235.04398	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91726	1.4
51.78844	1.5
55.31201	1.6
58.27312	1.5
59.23221	1.6
59.61534	2.0
72.99309	35.9
83.05020	49.1
99.75311	1.9
101.02457	2.6
110.66887	1.9
111.04507	30.1
115.03991	28.8
127.04005	100.0
127.04807	3.6
129.05589	17.5
133.02913	3.1
137.02460	3.8
147.04504	2.2
155.03499	85.3
171.02977	4.0
176.04701	6.2
177.01878	2.0
189.04095	7.0
190.51006	1.8
191.07115	7.5
199.02504	63.6
217.03549	78.4
235.04553	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28942	1.3
68.37035	1.2
71.05000	1.5
72.99306	37.2
81.03472	2.0
83.05022	48.0
111.04519	30.4
115.04001	29.5
126.14299	1.5
127.04007	100.0
129.05579	11.8
137.02490	2.6
155.03502	88.7
171.02994	7.5
189.04085	2.9
199.02505	69.1
217.03537	73.4
235.04605	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91860	0.9
59.01368	2.1
60.51572	0.9
60.56975	0.8
60.99298	1.0
61.36776	0.9
66.54418	1.2
69.04796	1.0
72.99301	35.0
83.05012	40.3
97.02917	1.5
99.04490	1.4
109.20123	1.2
111.04508	24.0
115.04000	32.0
124.07449	1.5
127.03995	100.0
129.05583	12.2
137.02435	5.8
155.03500	85.2
163.03973	2.0
171.03008	4.4
173.04655	1.1
177.02045	1.2
189.04027	6.5
191.07066	1.5
199.02490	60.4
217.03528	60.5
235.02440	1.9
235.04510	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0612
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
60.06020	0.2
63.22852	0.2
67.28297	0.2
74.63055	0.2
83.05038	0.2
92.23123	0.2
96.95984	0.7
104.32408	0.2
106.01004	0.2
133.02946	0.8
135.04486	0.3
147.04543	0.3
148.05295	3.4
149.02371	0.3
159.04512	1.6
161.02426	1.2
169.29631	0.2
175.03989	1.3
176.04790	100.0
177.05566	0.2
181.21936	0.2
191.03508	1.1
191.07156	11.3
220.03764	6.5
235.02367	1.2
235.06137	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0614
Annotation	7-Hydroxy-3-methoxypereflorin
Peak:m/z	Relative Intensity
59.01355	0.5
61.15830	0.3
74.47967	0.3
75.00877	2.6
76.10976	0.4
99.00866	1.8
108.02174	0.4
111.00857	0.4
118.52935	0.4
123.00888	0.5
136.01642	1.5
146.03761	2.2
147.04512	0.8
148.05289	0.4
161.02477	0.4
161.06093	3.1
162.03258	0.4
175.04013	2.4
176.04761	3.2
190.02724	2.1
191.00006	0.4
191.03450	0.8
192.04309	0.8
194.25433	0.4
205.05032	4.1
220.03778	100.0
235.02435	1.6
235.06128	50.6
235.11588	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85484	0.7
59.01376	12.0
64.07265	0.7
64.92758	0.6
70.51490	0.8
72.99316	1.8
83.05036	1.8
87.42963	0.6
111.04546	1.2
115.03979	1.7
127.04008	6.7
132.02232	0.9
133.02945	4.5
135.04517	0.8
155.03461	7.4
163.04021	1.0
175.03865	0.9
175.49611	0.7
175.58894	0.7
176.01225	1.0
176.04843	1.2
177.01929	5.4
191.03445	5.3
191.07216	1.7
199.02573	4.4
202.99881	0.7
205.01427	100.0
207.03038	1.2
217.03598	4.8
219.03008	3.8
220.03781	99.1
235.02609	10.0
235.06145	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Lemnaliadione
Peak:m/z	Relative Intensity
50.51446	0.6
59.01384	9.7
65.03966	73.3
65.97050	0.8
71.62008	0.8
72.49282	0.8
97.06591	7.9
100.50567	0.9
103.93674	0.8
123.08154	1.1
125.09711	66.0
139.15932	0.9
172.50157	0.8
173.13380	1.2
191.14539	1.0
217.12379	2.1
235.13405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.134
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.32888	0.6
52.30334	0.5
59.01378	4.5
64.27108	0.6
65.03955	4.0
69.00797	0.7
71.01352	0.9
72.99299	1.5
83.05012	2.8
92.23165	1.2
93.03435	3.7
93.78444	0.7
95.05009	5.5
97.06564	3.0
107.05045	0.9
109.06534	1.6
111.04491	1.7
115.03967	1.3
123.05673	0.6
123.08125	3.0
125.09704	3.2
127.03996	8.1
129.05571	0.9
129.29593	0.6
136.26440	0.7
155.03516	5.2
163.11295	1.0
175.11298	3.2
189.12833	1.7
191.14404	17.8
199.02513	4.6
204.45178	0.7
217.03532	3.6
217.12357	3.8
226.87801	0.7
235.13399	100.0
236.07748	0.7
248.57626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96312	1.0
59.01374	7.0
61.01797	1.0
65.41228	1.1
66.52312	1.1
73.25784	1.1
75.47925	1.1
78.28075	1.1
82.94823	1.2
83.05041	1.6
89.94560	1.0
103.15194	1.3
127.03979	1.4
129.73083	1.2
140.91760	1.3
148.33780	1.3
199.02380	1.1
211.30209	1.2
235.17053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
50.76020	0.8
54.04569	0.9
59.01373	5.8
61.60914	1.0
76.63023	0.9
166.85510	1.0
198.68762	1.0
200.62521	0.9
204.06458	1.1
205.84537	1.0
235.17041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
59.01379	7.4
72.99300	1.5
76.57679	0.9
127.04044	1.5
130.23698	1.0
137.03699	1.0
167.30319	1.0
182.04816	0.9
217.16039	1.1
235.17046	100.0
251.67015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83194	0.4
60.12484	0.3
70.88118	0.3
71.01376	31.0
75.61669	0.4
86.02488	0.7
91.01865	0.3
93.42686	0.4
96.04518	2.8
98.20293	0.3
105.00153	24.7
115.00362	100.0
120.01241	33.8
120.02117	0.8
130.98061	0.7
140.03542	3.1
148.99138	15.7
174.02252	2.9
203.72162	0.4
212.35362	0.5
218.01282	6.5
236.02391	9.3
236.04594	0.8
251.95265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19971	0.7
58.02999	0.8
61.12888	1.0
69.43895	0.9
72.04543	1.5
72.74049	0.9
81.03441	2.0
93.03443	4.3
96.51087	0.9
107.05023	12.6
109.02939	3.6
112.00364	1.2
117.03448	1.7
119.05045	1.6
133.02959	5.2
135.04535	13.2
151.03972	2.1
163.04016	2.3
164.07188	4.6
179.03493	1.2
192.06682	100.0
236.05669	37.9
236.09395	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93826	0.3
54.03876	0.3
66.97309	0.3
72.00904	9.9
73.57744	0.3
73.97716	0.4
78.71095	0.3
78.96928	0.3
91.05544	3.3
93.50956	0.3
103.93251	0.3
109.22116	0.4
138.03880	0.3
138.28720	0.3
139.24728	0.3
147.04526	40.8
158.37671	0.3
158.62471	0.3
164.07181	100.0
192.06735	1.6
236.05644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0928
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
59.93027	0.3
72.00909	10.2
76.81293	0.3
88.04034	3.9
91.05529	1.7
100.04070	0.3
103.05560	0.5
132.08261	0.4
147.04523	42.5
164.07175	100.0
192.10373	0.7
236.09296	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44103	0.2
50.79277	0.2
54.25083	0.3
72.00906	10.4
72.39911	0.3
72.99313	0.3
73.60458	0.3
74.43546	0.3
76.61545	0.3
82.02986	0.4
91.05561	0.7
123.04565	0.5
135.04550	0.5
146.06056	0.4
147.04524	44.9
148.04033	0.4
164.07182	100.0
186.06354	0.3
189.24728	0.3
199.87303	0.3
236.05556	0.6
236.09418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31873	0.6
78.90273	0.6
79.95734	87.6
104.70474	0.6
110.66993	0.7
126.12878	15.0
128.35988	0.7
137.74747	0.6
153.61278	0.6
172.13414	19.6
188.53813	0.6
201.37624	0.6
207.08531	0.6
207.56728	0.7
236.09622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45559	0.6
57.84375	0.8
63.13623	0.8
65.03964	0.9
79.95736	82.0
80.29354	0.9
81.09878	0.8
91.01893	0.8
92.23133	0.8
126.12876	15.9
132.87929	0.8
151.38768	0.8
170.11882	1.6
172.13429	16.3
236.09631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97459	0.9
58.23944	1.0
59.22134	0.9
62.13060	1.0
62.15674	0.9
63.40361	1.1
67.40117	1.1
79.95738	79.6
86.15294	1.2
116.93648	1.2
126.12882	14.1
165.77876	1.1
172.13458	17.5
221.22546	1.1
236.09633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52710	0.5
55.98391	0.6
59.01383	0.8
71.01382	16.7
75.00864	6.6
84.08472	0.7
85.02943	1.1
87.00897	1.3
91.48326	0.6
92.31703	0.7
99.69238	0.7
102.54800	0.7
105.00157	8.6
115.00363	61.8
120.99648	100.0
134.03773	1.3
138.07440	0.7
147.39079	0.7
148.45311	0.7
148.99124	8.9
160.37662	0.7
185.60663	0.7
193.05099	1.3
207.06741	1.0
219.06566	0.7
237.00716	12.3
237.04169	2.3
237.06055	7.7
249.77866	0.8
258.34000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
54.08895	0.4
59.13136	0.3
59.27223	0.3
67.34789	0.3
70.90739	0.3
73.48815	0.3
76.32217	0.4
108.02164	2.9
123.00893	2.1
123.04523	3.0
132.34508	0.4
136.01634	0.8
149.23854	0.5
150.03229	0.8
151.00407	0.5
155.49365	0.5
167.01334	0.4
175.00439	0.5
178.02725	100.0
193.05080	12.6
222.01689	5.1
237.04065	43.5
237.07877	2.0
238.16202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79717	0.2
53.01254	0.2
55.65572	0.3
59.42911	0.3
59.58482	0.3
65.05183	0.2
66.60042	0.2
80.70341	0.2
90.23761	0.3
99.00907	0.5
101.47236	0.3
115.00389	0.4
120.99656	1.2
125.02496	0.4
125.26193	0.3
128.87897	0.3
140.01178	3.8
148.01674	0.3
149.02437	2.3
150.03215	1.2
164.01213	0.3
177.01996	0.3
193.05186	0.6
219.03111	0.5
222.01718	100.0
237.04070	18.7
237.09332	0.5
252.70526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15974	0.3
71.01376	15.2
71.23975	0.2
77.03960	0.3
80.96507	1.2
96.95986	0.3
105.03444	0.5
115.00359	9.2
121.02947	100.0
123.04500	0.5
129.30984	0.2
134.03748	0.4
140.41412	0.2
146.47812	0.2
149.02437	6.3
149.03577	0.4
149.06056	1.3
151.65414	0.3
156.24745	0.2
177.45561	0.3
178.02751	1.3
182.05898	0.3
183.06616	4.0
189.05583	0.5
193.01451	3.3
193.05101	0.4
194.05966	0.2
207.03023	0.4
209.08330	0.9
219.06683	0.3
226.33611	0.2
237.00468	1.9
237.04155	2.1
237.07848	2.8
247.12637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
51.65804	0.3
51.85322	0.3
59.72063	0.4
63.05350	0.3
63.72053	0.4
66.69813	0.3
67.01889	0.3
75.85550	0.4
80.96519	3.6
96.95987	2.6
100.88787	0.4
104.52629	0.4
107.01383	0.7
108.02153	3.3
112.41464	0.4
120.09920	0.4
121.02957	0.6
123.00877	1.7
123.04565	3.0
123.08118	2.0
128.81757	0.4
133.02899	0.4
136.01674	1.8
149.06059	0.6
150.03201	1.6
155.23772	0.4
159.06636	0.6
177.01945	0.6
178.02716	100.0
193.05074	16.4
219.05209	1.8
222.01714	6.3
237.04070	46.1
237.07716	5.4
237.11230	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
79.95729	1.2
80.35753	1.1
96.96006	9.0
115.93607	1.1
116.86252	1.0
121.02917	5.0
130.01544	1.0
132.64116	1.0
133.02946	1.2
134.03740	100.0
135.04495	1.1
137.02448	15.6
139.04002	5.3
149.06091	25.6
150.03242	1.4
178.02716	67.0
183.06642	15.8
189.05574	2.2
193.05072	20.9
200.75790	1.2
209.08209	4.1
219.06679	1.2
222.01711	13.4
237.00409	2.5
237.04080	87.6
237.07625	12.1
251.57898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20916	0.6
59.01382	1.0
81.03451	0.7
93.95409	0.7
95.01415	1.0
106.04240	0.8
107.01363	1.5
119.01378	6.3
121.02969	1.0
123.00871	7.8
125.02459	1.1
135.00877	23.7
151.00375	1.3
163.00371	5.6
166.02744	0.9
178.99872	7.1
189.76247	0.8
194.00577	1.4
194.02191	17.3
207.03073	1.1
209.04558	11.8
222.01711	100.0
237.04059	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91307	0.1
61.26958	0.1
63.27267	0.1
72.59940	0.1
75.17202	0.2
82.18290	0.2
83.05686	0.2
87.00882	0.7
92.22528	0.3
115.03990	1.1
120.99644	100.0
149.02765	5.5
175.03937	0.2
193.05017	0.2
212.61140	0.2
219.02977	0.3
237.04367	7.1
237.07968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03450	2.6
59.01378	2.4
71.01377	1.4
72.49291	0.3
72.99307	0.5
73.02918	0.4
74.02852	0.3
75.00864	3.5
85.02962	3.2
87.00867	100.0
89.02443	0.6
97.02934	0.3
101.02435	0.5
101.17264	0.3
111.00889	0.3
129.01936	16.4
130.95244	0.3
140.38408	0.3
141.58630	0.3
147.02951	0.6
200.77628	0.3
237.06165	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01382	0.5
71.01387	0.5
72.99252	0.4
75.00867	3.3
78.95899	2.3
85.02953	2.2
87.00864	100.0
129.00967	0.6
129.01932	15.0
156.62442	0.4
176.57451	0.4
219.04893	0.7
237.06195	9.3
237.08452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.63035	1.0
59.01374	20.1
69.10217	1.0
71.01384	11.8
72.99297	1.5
73.02946	1.2
75.00867	80.8
78.10794	1.0
78.81747	1.0
80.16362	1.0
82.30470	1.0
83.01377	1.4
85.02942	6.0
87.00873	4.1
87.02733	1.8
89.02444	8.6
90.97957	1.0
90.98596	4.0
93.93626	1.1
99.00883	1.3
101.02444	11.1
105.03793	4.3
105.11231	1.0
111.79408	1.3
113.02435	4.8
115.00344	2.2
117.01922	1.4
119.03474	2.6
120.99621	7.4
127.64712	1.2
129.01988	2.2
133.02956	2.5
134.03757	7.4
137.02432	1.9
149.02658	2.0
153.05739	1.1
161.02460	16.0
177.04033	4.3
179.00346	1.2
193.05148	5.5
207.24416	1.0
222.05455	1.1
237.04021	39.7
237.06178	100.0
250.07535	1.0
254.85121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0623
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
66.69502	0.3
76.97092	1.4
80.96591	0.3
98.78852	0.3
136.97359	0.6
152.96800	3.2
178.02718	0.5
219.05161	100.0
221.03091	1.8
237.06198	34.5
240.08969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0769
Annotation	3-Epiradicinol
Peak:m/z	Relative Intensity
52.94443	0.7
58.42392	0.7
58.72738	0.7
59.01387	7.3
59.85148	0.8
75.49993	0.9
117.75726	1.1
125.88728	1.0
135.04538	3.7
137.02428	4.7
146.03731	6.5
147.04567	3.8
151.04015	6.9
160.05304	3.3
163.04016	5.2
164.04796	33.5
165.05571	20.8
168.54843	0.9
174.03117	0.9
176.04796	1.8
178.06357	1.2
179.03520	14.0
180.04305	7.0
192.04286	12.9
193.05103	1.8
194.05760	6.6
204.04332	1.8
207.02989	1.6
207.06610	6.3
219.06592	1.2
220.03798	3.7
222.01874	1.6
222.05345	43.1
237.07693	100.0
257.83215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0769
Annotation	3-Epiradicinol
Peak:m/z	Relative Intensity
50.61914	0.9
59.01375	2.5
71.01383	1.7
75.00880	1.0
79.62089	1.0
80.96534	1.3
87.00878	5.6
89.14749	1.1
93.03433	2.0
112.75819	1.0
115.00343	7.4
116.11737	1.1
120.99626	11.5
121.02995	2.2
122.02495	1.2
124.00397	5.2
124.01662	1.4
135.04506	4.7
137.02441	4.2
146.03728	4.6
147.04518	6.1
149.06052	1.2
151.04013	7.2
160.05229	1.4
163.04001	6.7
164.04787	30.0
165.05560	23.1
166.01405	1.4
173.35966	1.1
174.12360	1.2
176.04793	2.3
178.02774	1.0
178.06383	1.3
179.03502	14.8
180.04308	6.6
191.06613	1.2
192.04295	13.2
192.99719	1.4
193.05046	2.3
194.05841	4.6
204.04248	2.2
206.99487	1.3
207.06622	8.5
209.08206	2.1
219.06674	4.1
220.03741	5.4
222.01962	7.5
222.05342	44.6
235.06268	1.5
237.01375	2.3
237.04063	10.2
237.07687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16600	0.4
64.15037	0.4
71.01390	0.4
81.82240	0.4
88.20306	0.4
92.22445	1.0
97.44849	0.6
117.10332	0.4
120.99627	0.5
121.02963	0.9
136.55154	0.5
147.00859	2.6
149.02519	0.7
158.95506	0.5
179.03513	11.2
193.04962	0.6
207.03000	100.0
221.04570	1.0
222.05336	81.9
237.07703	32.3
237.10312	0.7
237.11458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81746	0.6
54.14891	0.6
93.03442	0.8
107.04996	0.9
119.86098	0.7
121.02928	1.4
124.01682	0.7
134.03731	28.8
135.04536	4.4
137.02419	5.3
138.03235	4.1
149.06070	7.2
150.03223	3.8
163.04048	1.5
164.04791	5.1
166.06377	5.1
175.04037	7.5
178.01230	1.4
178.02718	21.5
178.04279	0.8
181.05032	3.8
182.05859	15.8
183.06627	100.0
189.05574	27.4
193.05034	6.9
194.05833	10.3
195.06676	1.1
201.05569	1.1
208.07449	7.9
209.08203	35.9
219.06631	14.3
222.01733	1.6
237.04063	27.1
237.07721	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24397	0.4
57.98630	0.5
59.01382	2.3
68.12077	0.5
93.25968	0.5
105.61578	0.5
118.69250	0.5
136.91789	0.7
147.00864	2.3
179.03493	11.9
207.03004	100.0
222.05354	86.7
237.07716	29.6
237.15086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.75653	1.2
57.03443	8.0
59.01376	6.6
70.87336	1.1
76.76325	1.1
83.69496	1.1
85.06606	1.3
96.96005	7.3
107.04993	2.1
123.08155	100.0
134.03801	2.0
149.06139	1.7
152.32968	1.7
165.09212	3.1
166.54344	1.5
167.07126	6.8
177.09193	7.9
178.02684	2.0
178.09993	28.9
179.07133	1.4
184.92303	1.4
193.05045	2.1
193.12274	15.4
207.03032	2.0
219.10226	2.7
237.04298	14.0
237.07768	2.5
237.11349	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1134
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
57.03454	7.5
59.01381	0.8
62.85068	0.4
80.96518	4.1
88.31471	0.4
96.95969	0.5
107.05024	3.4
109.02941	0.5
121.02953	0.7
123.08160	100.0
123.18259	0.5
135.08191	2.0
149.02394	0.5
152.12114	0.5
154.59933	0.5
165.09175	3.3
167.07155	7.4
175.11334	2.1
177.09180	7.8
178.02769	4.1
178.10007	28.3
179.07147	2.1
192.07906	1.0
193.05054	0.5
193.08737	0.7
193.12355	14.4
210.08945	2.2
219.10237	4.0
222.05324	0.5
237.00536	0.5
237.04059	2.2
237.07877	4.6
237.11327	39.9
237.15079	1.1
240.71666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67522	0.6
55.43666	0.7
57.03455	2.0
58.17902	0.8
59.01385	10.2
61.20898	0.8
70.45744	0.7
72.72573	0.8
83.05033	1.5
97.02942	5.5
108.02216	1.6
109.06582	0.9
110.03719	2.0
121.10224	1.1
123.04520	1.1
136.05289	13.1
149.13434	3.1
175.11282	4.6
191.10823	1.4
193.12347	38.2
193.15997	1.0
219.10280	28.3
231.89272	0.9
237.11353	100.0
237.14906	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
50.23644	0.5
59.01379	2.8
59.57938	0.5
69.03462	0.9
71.01370	4.6
84.02158	0.7
95.01335	0.9
96.96014	0.9
110.03723	5.3
111.04502	6.6
119.05141	0.6
121.06588	8.0
146.81345	0.6
147.08150	1.2
165.12825	5.4
175.11263	8.6
181.12198	0.7
193.12453	5.7
209.11806	7.9
219.10297	2.7
222.05391	1.0
237.11339	100.0
237.15047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
54.39650	0.5
57.03453	15.7
59.01376	2.4
63.98762	0.5
83.05018	3.0
85.74288	0.5
94.25569	0.6
135.11842	0.6
163.30545	0.6
167.10838	4.8
177.12883	1.2
179.10822	1.4
193.16035	3.2
195.13898	7.2
202.40266	0.6
219.13881	0.8
237.14975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
54.68251	0.5
57.03446	2.1
60.75965	0.4
65.03960	1.2
67.05525	2.1
67.66811	0.5
92.84616	0.5
93.03443	3.0
93.64308	0.5
97.06567	0.9
98.91348	0.5
102.41441	0.4
103.27106	0.5
111.08134	0.8
112.82206	0.5
123.08178	1.0
125.09716	7.3
177.12857	0.7
193.15971	3.1
213.46030	0.4
219.13876	1.9
222.05362	0.6
222.26752	0.5
237.14984	100.0
241.27890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1862
Annotation	Hanamyol
Peak:m/z	Relative Intensity
59.01389	11.6
92.23072	1.3
128.75250	1.0
177.68452	1.2
237.14807	3.6
237.18616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0722
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
60.94254	1.1
72.30709	1.1
74.02470	67.1
75.10317	1.2
86.02475	16.9
88.04037	6.9
92.22563	1.5
93.03462	3.0
106.04234	2.7
114.01948	2.0
119.05016	35.6
121.06615	2.0
132.03046	1.4
148.07695	15.3
163.04027	43.3
165.05551	8.9
176.07211	5.3
180.06735	3.1
192.06683	2.8
194.08244	59.1
208.84546	1.5
220.06071	2.0
238.07227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52743	0.5
68.38045	0.4
69.03458	8.5
69.25040	0.4
74.02457	0.7
79.64198	0.4
87.94150	0.5
90.35471	0.5
98.16573	0.5
107.03768	24.5
108.04551	23.8
135.03256	1.2
135.65108	0.5
147.03249	0.7
148.07671	3.3
148.41171	0.5
150.09227	8.9
151.02754	5.1
152.03537	22.1
158.06102	3.1
163.03975	0.6
175.92758	0.6
176.07175	100.0
194.08228	18.2
202.05118	9.6
220.06166	60.4
238.07228	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49976	0.6
55.00154	0.6
62.51735	0.8
66.23084	0.8
67.01521	0.7
69.03441	6.7
74.02471	0.9
82.65493	0.8
105.30976	0.7
107.03763	29.3
108.04549	27.1
108.05297	0.8
110.75752	0.8
119.88254	0.8
135.03291	1.7
148.07687	1.8
150.09236	9.0
151.02748	3.6
152.02394	1.4
152.03543	25.0
158.06104	1.7
176.01865	1.2
176.07170	100.0
194.08243	21.7
201.49367	0.8
202.05104	9.2
220.06158	64.9
236.24516	0.8
238.07236	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34888	0.5
61.58764	0.5
74.02469	3.0
74.43304	0.5
92.23043	0.7
93.03460	1.0
102.05591	2.0
107.03752	0.9
109.02956	5.1
121.02948	27.9
122.89274	0.5
134.31873	0.5
148.07610	0.6
148.22993	0.6
152.03519	1.0
163.03993	2.2
167.79070	0.6
176.01675	0.7
176.03494	0.8
176.07130	3.5
179.03552	4.1
179.09517	100.0
194.08247	3.6
194.11861	16.5
220.06084	2.5
223.08487	2.5
238.07294	8.5
238.10855	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38607	0.2
63.71665	0.2
66.03491	2.0
72.38525	0.2
88.53300	0.3
90.83384	0.2
94.02979	100.0
115.90362	0.3
124.04038	3.1
149.42848	0.3
155.63528	0.3
164.10803	23.4
194.11945	0.5
208.09842	3.5
238.10840	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.9815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49091	0.4
57.04300	0.4
58.71642	0.4
59.01445	3.6
71.01397	3.1
72.99345	0.9
73.02988	0.6
78.95901	50.3
83.01447	0.5
85.02951	9.1
87.00870	5.4
88.01298	0.9
89.01285	3.2
89.02522	2.5
96.96971	0.5
100.30346	0.5
101.02502	2.4
109.88576	0.4
111.04494	3.2
113.02496	0.6
128.53249	0.4
129.01932	1.4
131.03499	9.6
134.97105	1.0
136.94051	3.3
136.95039	13.7
151.56117	0.4
155.99614	0.4
161.04637	2.0
178.96086	100.0
196.97079	9.5
220.97144	2.5
221.06673	26.2
230.18173	0.5
239.07770	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.5
60.34901	0.4
61.99395	0.4
77.18384	0.6
87.94579	0.5
88.29182	0.5
90.63287	0.5
108.02145	0.5
108.23251	0.5
122.03719	2.4
122.04559	0.5
123.04482	2.1
150.03221	100.0
151.04004	0.9
152.61063	0.5
156.67827	0.6
165.05566	37.5
180.00745	0.8
180.04292	20.1
194.02260	5.8
195.03081	0.8
195.06567	3.8
209.04565	67.5
224.03229	5.8
236.61414	0.5
239.01848	2.6
239.05635	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02848	1.4
59.01381	7.9
69.72070	1.4
70.02016	1.3
79.33566	1.6
82.43324	1.4
89.03960	1.9
91.50445	1.5
92.02670	3.0
93.03459	3.6
105.03452	3.5
107.05038	2.7
108.02180	13.9
108.32236	1.6
113.93871	1.5
121.02950	22.7
122.03764	3.3
122.71207	1.4
123.04514	60.6
132.02211	1.7
133.02957	29.1
134.03738	10.5
135.00882	2.7
135.70934	1.3
137.02419	10.4
137.06114	3.1
145.09729	1.4
147.00880	12.2
148.01666	100.0
149.02428	2.6
150.03227	14.0
151.04013	14.7
163.04019	90.6
165.01932	2.6
166.56998	1.5
167.07114	14.7
177.01903	2.4
179.05637	7.0
181.05080	3.3
193.01421	2.7
195.06657	1.6
199.78908	1.7
211.06290	1.9
239.05710	15.7
239.09183	1.6
239.12849	2.3
240.08427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30074	0.4
59.01377	1.1
77.24628	0.4
85.02912	0.6
87.00848	0.6
92.22511	0.6
96.95989	2.6
109.03008	0.4
137.02412	3.9
148.98853	0.6
153.01907	0.6
155.03445	0.6
165.01877	3.6
165.99092	9.8
171.37314	0.4
179.05605	2.1
181.01447	3.5
184.53717	0.5
209.00935	75.1
221.11684	0.8
223.02525	1.1
224.03278	100.0
229.92278	0.5
239.05634	43.0
239.12927	2.0
239.20297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.14850	0.9
56.50529	0.9
59.01105	1.6
59.01383	32.8
62.41162	0.8
62.47622	1.0
71.01369	6.1
72.29768	1.0
79.12961	1.1
83.04996	1.2
87.00847	1.4
89.02439	4.5
92.02665	6.1
93.03451	36.4
94.41801	1.0
95.01370	1.9
101.02444	8.2
107.05024	1.8
108.02180	1.7
116.50712	1.5
121.02918	1.4
123.04478	1.9
125.02039	1.0
131.30989	1.0
135.04521	6.1
136.01654	34.0
137.02444	57.0
147.04424	1.1
151.03996	7.9
179.03506	100.0
179.05261	4.3
195.02994	1.6
195.06635	2.2
221.04611	2.5
224.03294	2.1
239.01825	2.3
239.05594	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94940	0.6
59.01359	0.6
63.86259	0.6
64.86732	0.6
72.29676	0.6
79.95716	1.2
82.01424	0.6
86.55585	0.6
96.96005	54.9
97.93382	0.6
113.09687	1.0
123.04504	0.8
136.01683	0.9
145.02914	0.7
151.03992	3.9
159.10272	50.3
163.00409	0.9
167.10754	1.1
195.02968	2.2
239.01955	4.2
239.05931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
59.72190	0.5
77.93165	0.7
79.95727	0.9
80.96507	0.5
84.21184	0.6
89.39579	0.5
91.44868	0.5
92.23120	1.1
96.96002	49.7
101.06118	0.6
121.02946	1.2
151.00645	0.7
151.04033	1.0
151.07663	0.6
159.10260	46.8
163.00388	0.6
167.10818	0.6
181.01591	0.5
195.03003	2.5
195.06667	0.7
195.10320	0.9
221.00955	0.6
239.05940	100.0
239.12749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
66.03487	3.0
70.02977	2.2
72.99300	0.5
81.36948	0.3
87.00917	0.3
94.02364	0.6
94.02976	26.7
114.01971	7.5
124.04034	100.0
159.05632	0.4
179.05597	1.8
195.09734	0.3
195.13942	0.4
239.06911	3.6
239.20207	0.6
258.39703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
66.03483	2.6
70.02963	2.2
72.99307	2.1
83.09367	0.3
84.35584	0.3
94.02980	27.4
96.59335	0.3
114.01955	7.8
121.02943	0.5
124.04036	100.0
135.04430	0.4
149.06175	0.3
165.05563	1.4
178.50438	0.3
179.05594	0.5
239.06946	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26834	0.3
66.03487	2.9
70.02977	2.2
77.61166	0.3
94.02977	23.9
114.01952	7.7
124.04035	100.0
133.30682	0.3
172.11806	0.4
179.15076	0.3
185.57048	0.3
192.66512	0.3
239.06734	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
66.03487	3.0
70.02977	2.2
72.99300	0.5
81.36948	0.3
87.00917	0.3
94.02364	0.6
94.02976	26.7
114.01971	7.5
124.04034	100.0
159.05632	0.4
179.05597	1.8
195.09734	0.3
195.13942	0.4
239.06911	3.6
239.20207	0.6
258.39703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
64.54555	0.3
66.03484	11.2
79.26513	0.4
82.17526	0.3
82.29563	0.3
82.69874	0.3
87.00870	0.6
109.04070	100.0
124.04043	1.7
135.05650	2.2
153.06712	1.7
157.95816	0.3
161.04605	1.5
164.04738	0.3
179.05632	5.4
194.64113	0.4
195.07764	16.4
227.73473	0.4
239.06818	8.4
239.20248	2.0
250.34219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Dinoterb
Peak:m/z	Relative Intensity
58.69646	0.3
59.01377	1.5
66.03487	11.9
85.02966	0.3
99.01568	0.3
109.04070	100.0
124.04040	0.5
132.53723	0.3
134.24174	0.3
146.82285	0.3
151.74290	0.3
153.03056	1.5
161.04559	0.3
165.05577	0.6
179.05621	1.5
195.07776	16.9
209.08139	0.3
224.04826	1.1
239.01790	0.3
239.06850	9.9
239.20232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26264	0.3
59.01367	1.6
66.03474	2.8
70.02983	1.6
70.09685	0.3
75.27434	0.4
94.02979	24.8
95.59314	0.4
99.04539	0.3
114.01971	7.9
124.04035	100.0
161.04584	0.5
174.94017	0.4
179.05609	1.5
239.06694	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91558	0.2
56.55299	0.2
59.01384	1.4
61.45869	0.3
66.03503	2.0
70.02967	2.7
71.33527	0.2
73.08571	0.3
73.83926	0.2
78.03439	0.3
81.39604	0.3
83.72316	0.2
91.68964	0.2
94.02982	28.6
110.91414	0.3
111.87698	0.3
114.01958	7.3
124.04038	100.0
129.66212	0.3
135.25774	0.3
136.01581	0.3
159.05705	0.3
161.04561	0.4
179.05666	1.5
224.04858	1.5
239.06833	5.0
239.20216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0716
Annotation	3,3'-Dihydroxychalcone
Peak:m/z	Relative Intensity
56.52754	0.6
59.01401	0.7
60.28115	0.6
62.13435	0.7
64.84734	0.7
64.92718	0.6
68.50507	0.6
74.76672	0.7
79.95756	0.9
86.28701	0.7
93.03456	10.0
96.95998	61.2
107.04971	2.7
108.02191	0.9
113.09646	0.8
117.03448	1.9
119.05019	17.4
119.05827	1.2
123.04533	1.5
130.34634	0.7
145.02951	25.3
151.03952	5.2
159.10263	12.3
163.00372	0.9
165.01956	1.0
167.03490	4.4
167.07133	0.9
167.92380	0.7
177.64699	0.8
178.99905	0.9
195.03023	4.6
197.06123	8.3
209.06134	0.8
211.07690	8.6
217.39383	0.9
221.06067	4.3
224.04816	1.0
237.05557	0.8
238.06494	1.0
239.01953	3.7
239.07082	100.0
248.46082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
56.80809	0.7
57.46184	0.7
58.80643	0.7
59.01381	100.0
69.86606	0.7
70.47733	0.8
70.66738	0.7
81.03481	0.9
84.24554	0.9
92.23052	1.4
95.05010	1.1
97.06594	4.1
109.06600	1.7
124.04070	1.3
135.08173	4.3
141.05569	14.8
151.11288	4.7
177.09206	4.7
179.05661	1.6
179.07133	1.1
195.10277	43.5
239.09270	29.6
239.11374	0.8
251.69214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0924
Annotation	CMPF
Peak:m/z	Relative Intensity
51.18313	0.8
57.07645	0.7
57.08467	0.8
59.01383	100.0
73.80217	1.0
74.42094	0.7
82.84248	0.8
97.06581	4.8
109.06598	2.2
133.10204	1.1
135.08162	5.0
141.05597	13.4
151.11258	4.1
177.09210	4.5
179.05589	1.3
179.07059	1.4
184.64986	0.9
195.08540	1.8
195.10269	40.7
226.48459	0.9
239.09253	32.2
239.12910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78375	0.7
59.01385	100.0
63.87753	0.9
67.30694	0.7
71.79497	0.8
75.93149	0.9
81.03470	1.9
91.60458	0.8
95.05041	2.0
97.06583	4.0
109.06589	3.8
118.44529	0.8
135.04517	8.5
135.08170	4.4
141.05591	15.6
151.11281	4.5
177.09222	4.7
179.07184	1.9
192.14136	0.9
195.10297	47.1
221.08089	1.0
222.54395	0.8
239.05560	1.3
239.09279	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74498	0.5
57.65435	0.6
59.01382	1.3
60.99512	0.6
73.42944	0.5
74.70541	0.6
78.19523	0.7
92.23032	0.8
96.40949	0.7
102.98016	0.7
105.17654	0.6
130.09428	0.6
176.79305	0.6
177.12833	3.6
195.13918	100.0
209.94719	0.6
239.12900	10.8
253.04718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.97071	0.6
57.03451	57.6
69.03454	1.1
71.05005	2.9
76.05418	1.0
81.07093	0.8
93.98786	0.7
97.06602	0.8
109.06586	12.8
109.10217	1.4
123.08149	16.3
125.09722	6.2
131.36455	0.8
135.08170	6.5
136.01645	1.7
137.09729	1.1
151.11282	22.3
177.12886	0.9
179.05687	0.9
179.10782	5.0
179.98877	0.9
195.03021	1.3
195.13914	86.1
210.30833	0.9
239.01961	1.0
239.12903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
54.17483	0.6
57.03447	1.6
59.01379	4.8
59.66982	0.6
60.41580	0.5
66.24718	0.6
87.00964	0.7
117.60654	0.7
136.67859	0.7
165.34952	0.7
179.05598	4.0
179.14380	1.2
183.13942	1.4
195.13924	1.7
209.15504	1.0
221.15450	1.7
223.02815	7.0
239.16547	100.0
239.20343	3.1
249.28566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
50.00194	0.6
51.42434	0.6
57.01131	0.9
59.01384	0.9
61.97901	0.8
65.27827	0.7
74.04254	0.7
78.48952	1.0
88.28738	1.1
116.28206	0.9
127.07456	1.0
183.13902	60.1
184.24220	1.0
202.43788	0.8
209.15446	5.1
211.16895	0.9
221.15465	25.5
237.64626	1.0
239.16539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
56.05461	0.7
59.01384	5.7
67.05537	3.1
71.41962	0.8
84.16889	0.7
92.22482	0.9
92.62731	0.8
114.90093	0.9
125.09678	1.3
127.11269	0.8
140.48911	0.8
147.27466	0.8
155.10794	3.2
171.10272	41.0
177.12845	4.9
179.05656	3.5
179.10933	0.8
183.10251	3.2
195.13916	100.0
201.97128	0.9
221.11978	1.9
221.15483	39.9
239.13025	9.9
239.16533	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
55.70317	0.5
59.01376	3.4
59.43052	0.5
60.31143	0.6
61.98456	0.6
63.17446	0.7
79.13049	0.6
85.13763	0.6
142.39977	0.6
207.78842	0.6
217.72626	0.7
221.18962	0.8
239.20174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2018
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01373	3.5
60.23994	0.7
63.25420	0.5
75.87510	0.5
79.43157	0.5
85.12654	0.5
125.86101	0.6
133.47806	0.7
239.20175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2019
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
52.45900	0.3
55.40928	0.3
59.01378	1.7
83.05045	0.7
86.98196	0.4
179.05652	1.5
195.13908	0.5
221.19107	1.6
223.02933	0.6
239.20184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2018
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
51.76415	0.4
59.01382	3.6
59.42698	0.5
123.38639	0.5
146.45358	0.6
150.73378	0.6
154.06369	0.7
179.05649	2.6
195.14026	1.3
207.33611	0.7
220.16516	0.6
223.02827	1.3
231.43182	0.7
239.20174	100.0
245.16786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0514
Annotation	N-(2,3-Dihydroxybenzoyl)-L-serine
Peak:m/z	Relative Intensity
52.01912	0.6
63.77802	0.3
65.99842	0.5
66.03482	0.5
67.57332	0.3
68.01415	0.4
68.99780	0.4
71.01379	2.7
73.02937	0.5
80.01400	0.7
85.02939	2.4
94.02994	0.6
96.00885	0.3
96.99303	5.8
98.02467	4.3
99.00835	0.6
108.04536	0.7
110.02483	0.6
120.04531	0.3
122.06120	4.2
124.00406	0.4
124.04026	1.3
125.02448	0.4
134.06134	0.8
138.05630	0.5
148.53471	0.4
150.05632	0.4
151.02678	0.4
152.07230	0.4
173.40785	0.4
182.04643	4.6
240.05148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68412	0.4
59.45709	0.3
60.61488	0.3
66.03484	1.6
71.01369	4.7
76.34335	0.3
89.88211	0.4
94.02367	0.8
94.02974	26.4
95.03300	0.5
108.04499	0.4
115.00362	14.4
122.06115	1.9
124.04032	100.0
125.04369	2.3
134.06145	0.9
135.04541	0.4
150.05545	0.5
152.07159	0.5
166.05099	0.8
168.06662	0.6
178.05093	1.9
196.06210	2.4
222.04059	0.4
240.05098	11.2
241.27206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03476	2.1
71.01370	5.3
82.76740	0.3
89.94708	0.3
92.22529	0.4
94.02972	26.7
105.66560	0.3
115.00355	14.0
122.06113	1.7
124.04028	100.0
128.43192	0.3
134.06107	0.3
166.05124	0.3
196.06197	1.6
234.44618	0.4
240.05162	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14037	0.4
59.01374	0.7
66.03487	1.8
71.01377	5.7
73.91962	0.4
76.01972	0.4
79.73863	0.3
82.90814	0.4
92.23106	0.5
94.02979	24.5
98.01953	0.4
110.02517	0.4
115.00370	14.5
122.06117	0.9
124.04040	100.0
152.07182	2.9
196.06163	3.8
196.14510	0.4
240.05170	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.2
66.03479	2.6
71.01373	5.6
78.03487	0.3
82.03003	0.2
85.02920	0.4
94.02979	28.0
109.04069	1.8
110.02461	0.5
110.04401	1.3
110.06125	0.3
115.00366	13.8
122.06156	2.3
124.04037	100.0
136.07680	0.3
139.02763	0.9
148.53603	0.2
152.07054	0.4
154.08757	1.0
178.05017	0.3
180.06651	0.3
196.06099	2.1
196.09843	0.4
219.53944	0.3
240.05095	8.3
240.08844	0.6
240.12585	0.5
247.25471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1244
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
55.49354	2.5
58.02975	17.2
58.21410	2.4
66.38189	2.6
69.03453	14.2
69.76689	2.1
71.05017	83.9
72.04501	2.8
82.46223	2.8
85.06602	4.4
106.23299	2.5
124.07687	5.3
125.09719	3.1
131.08046	2.3
160.04056	40.0
169.84337	2.6
178.12402	14.0
179.10744	15.5
196.06142	5.3
196.13451	80.7
212.07219	3.7
222.11394	3.8
239.99597	4.1
240.07097	16.0
240.12433	100.0
264.57013	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	17.9
59.54969	0.8
67.66569	0.8
68.26384	1.0
105.99439	1.0
120.04454	0.9
179.14424	25.2
196.17087	47.1
222.14885	1.2
223.13338	1.8
240.04274	1.5
240.16072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1607
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.95450	0.4
56.69835	0.5
57.03447	0.6
58.02971	10.3
59.01371	0.6
69.85058	0.5
77.51304	0.6
89.34841	0.5
97.06580	0.5
118.91570	0.5
127.53240	0.5
159.00360	0.6
171.50935	0.6
177.12598	0.5
179.14429	12.5
196.17078	18.8
207.26660	0.5
222.14996	2.0
223.13411	22.2
240.16068	100.0
241.14360	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92054	0.3
55.63549	0.3
58.29831	0.3
63.71860	0.3
67.01877	2.0
81.03454	28.0
88.39922	0.3
88.42416	0.3
90.03789	0.3
96.96008	0.4
109.02943	100.0
143.33667	0.3
153.01938	14.7
153.09190	0.4
196.97125	0.4
197.00905	1.7
197.11847	7.5
240.99992	1.9
241.03539	0.4
241.10812	4.2
241.21704	1.7
250.09404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21173	0.9
58.47544	0.8
66.26360	0.8
77.03938	1.6
91.05522	11.6
93.03452	6.1
95.05014	3.9
107.05013	1.8
109.06554	1.7
113.02405	1.9
122.02532	1.1
123.04486	2.1
124.04027	1.4
125.04421	1.8
135.04526	100.0
137.02452	1.0
145.42453	0.9
153.01291	13.5
153.05559	10.9
169.05008	1.1
172.16655	1.0
179.31676	0.9
197.04573	86.2
201.49745	1.0
215.25163	1.0
218.17735	1.0
223.06081	1.1
241.03549	80.4
241.07170	11.1
241.21719	2.0
247.70770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93825	1.2
53.25103	1.3
62.30782	1.5
67.35455	1.3
70.02970	50.6
73.87711	1.5
80.68972	1.4
82.02972	80.3
94.02958	7.0
95.95944	1.8
96.00898	3.3
99.05643	3.8
103.10019	1.5
114.01950	34.9
115.15985	1.5
151.05122	6.2
153.06682	43.6
187.71298	1.6
197.05682	95.0
197.07500	3.4
197.13023	1.6
198.04135	2.4
208.90974	1.7
241.04686	100.0
241.07001	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97518	1.4
59.01380	11.8
61.86861	1.5
62.49588	1.4
70.02975	45.9
70.96571	1.4
73.71070	1.7
82.02979	75.2
94.03001	4.3
98.02496	1.9
99.05648	2.8
99.19138	1.7
114.01952	26.1
151.05151	3.0
153.06689	42.2
183.00171	1.7
184.92293	1.7
185.67816	1.8
197.05685	84.1
197.11783	2.1
202.82172	1.9
207.24622	1.8
241.04683	100.0
241.06908	4.7
241.21754	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
68.03542	1.1
70.02976	58.4
72.99300	1.1
82.02982	91.2
82.80058	1.2
85.05370	1.1
94.02989	6.0
95.56709	1.2
96.00921	5.1
99.05660	6.5
114.01962	40.9
134.03714	1.5
149.06046	1.9
151.05176	1.8
153.06709	45.6
165.90201	1.3
167.05908	1.3
177.10806	1.4
197.05707	97.2
197.13094	1.3
198.04218	1.9
232.34471	1.2
241.04755	100.0
241.07217	8.4
241.12056	1.8
241.21684	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26073	0.8
51.47198	0.7
55.89738	0.7
59.01368	3.9
85.02998	0.9
90.51794	1.0
95.01431	1.1
108.02164	1.7
109.02956	1.4
111.00844	1.1
112.51756	0.9
120.23858	1.0
123.00860	1.8
123.04517	5.0
125.02429	1.3
137.02449	1.2
138.03172	1.8
139.00366	1.7
139.03975	2.2
145.13379	1.0
150.03166	1.4
151.00320	1.5
153.01939	3.7
153.05589	4.6
163.00363	25.4
165.05504	1.3
166.02692	1.8
167.03506	1.1
178.02711	100.0
179.03448	1.8
181.01448	23.0
181.05049	1.3
183.06612	29.8
193.05058	66.2
195.03024	3.2
196.03787	16.1
211.02707	4.3
211.06128	95.0
223.02483	6.5
226.04807	20.0
241.05328	3.1
241.07199	56.9
241.10815	1.5
241.18166	4.3
241.21741	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46926	0.6
56.21535	0.6
57.03441	1.0
64.34736	0.8
69.03469	1.8
71.05005	3.2
75.74902	0.7
83.13644	0.7
91.68127	0.7
92.22530	0.9
122.64088	0.8
125.09677	1.7
128.41267	0.7
134.47224	0.7
153.12794	3.5
157.76079	0.8
179.10806	4.2
197.11848	100.0
218.10657	0.9
223.09721	5.9
236.23895	0.8
241.10847	44.3
241.21758	1.1
250.44830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.81777	0.8
65.13500	0.9
69.03471	1.7
69.13975	0.9
71.05012	1.8
75.06985	0.9
153.12868	2.2
157.49904	1.3
161.09741	1.4
179.10799	2.6
197.11848	100.0
223.09758	7.4
223.13376	5.4
241.10829	46.8
241.14658	4.0
241.21666	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.55785	0.6
69.86215	0.6
71.05010	3.4
93.30221	0.7
93.72499	0.6
94.31656	0.7
99.48826	0.7
103.70806	0.8
109.06600	0.9
125.09700	0.8
151.11346	1.0
153.12846	4.2
178.99931	1.1
179.10747	3.9
187.02675	0.8
197.11853	100.0
210.07521	0.8
216.53572	0.7
223.09782	5.6
241.10818	46.4
241.21765	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.04324	0.8
57.65661	0.6
61.71843	0.7
69.03434	0.9
70.96139	0.7
71.05006	3.0
75.99861	0.6
87.05374	0.7
101.16502	0.6
105.04240	0.9
122.92103	0.7
125.09676	1.2
153.12822	3.3
179.10735	6.7
197.11841	100.0
223.09685	1.1
241.10826	70.6
241.21648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03442	6.7
58.71888	0.9
59.01380	100.0
86.05614	1.0
99.04509	6.1
114.34351	1.1
119.08646	6.9
135.08105	1.3
135.11803	1.1
137.09706	9.1
161.09528	1.3
162.04561	1.1
163.07649	2.4
179.10756	8.4
181.08708	32.1
197.11842	56.0
223.09808	1.5
226.06680	1.1
241.10837	29.0
241.21732	6.8
257.22968	1.1
262.89551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03001	0.6
59.01379	2.6
61.59575	0.6
69.55267	0.6
70.02983	1.2
82.02985	19.2
84.03927	0.6
84.04535	1.3
85.23476	0.6
87.33990	0.6
88.77446	0.6
96.81933	0.7
103.96115	0.6
103.96856	0.8
110.02473	0.7
111.03279	1.0
112.04029	6.7
114.09248	0.8
123.04430	0.8
126.09238	1.1
127.05161	5.7
130.08719	9.4
141.10339	18.6
154.12413	0.9
163.10536	0.8
168.09079	0.8
169.09856	2.4
169.13486	2.9
181.01357	0.8
194.02187	4.5
197.03543	4.5
197.12975	99.0
209.04547	4.2
211.02336	0.7
223.06088	0.9
223.10869	0.8
226.04803	1.2
241.03441	1.3
241.07170	2.7
241.11966	100.0
241.21649	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91500	0.5
57.03452	1.4
59.01379	1.3
59.37357	0.6
71.62723	0.5
74.20108	0.5
83.05015	0.9
92.23182	0.6
109.03000	0.6
111.63137	0.5
123.08169	0.8
130.50319	0.6
133.10167	0.9
137.09677	2.2
151.11282	0.7
153.12808	4.2
161.09695	4.6
163.11304	4.3
179.14415	0.9
181.12347	2.7
195.13954	1.4
197.11835	0.7
197.15500	1.2
211.29425	0.6
214.02870	0.6
241.14470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03444	3.8
59.01362	1.2
68.11700	0.6
71.05018	3.5
74.51225	0.6
81.58310	0.6
83.05038	0.6
85.06592	1.2
97.06583	1.1
117.65004	0.7
125.09727	1.2
138.24196	0.6
145.82761	0.7
159.40376	0.7
179.14418	43.5
181.12195	0.7
195.13918	1.5
197.15501	15.6
223.13393	42.2
241.14468	100.0
241.18370	3.1
241.21651	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	A factor
Peak:m/z	Relative Intensity
51.46881	0.7
59.01390	1.3
66.63538	0.7
87.74001	0.7
122.06364	0.7
131.26852	0.7
150.88206	0.7
179.14417	21.3
197.15488	100.0
223.13419	4.4
241.14502	26.7
241.18225	4.7
241.21729	15.5
243.13470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	A factor
Peak:m/z	Relative Intensity
50.05493	0.5
50.20707	0.5
51.49965	0.4
57.03455	1.1
58.38417	0.5
68.76770	0.5
71.05048	0.7
83.05007	1.1
133.10251	1.5
134.37328	0.6
137.09712	1.1
151.11270	1.3
153.12794	4.4
161.09731	6.6
163.11325	4.7
171.52144	0.7
181.12415	1.5
195.13930	3.9
197.15517	0.8
214.58702	0.7
241.14481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13625	0.4
58.42135	0.4
59.01378	0.7
68.67410	0.5
78.95905	0.9
84.19646	0.5
91.51559	0.4
125.09716	1.2
141.12854	0.6
160.71942	0.5
165.78499	0.5
171.06325	0.5
179.23253	0.5
197.19124	4.2
241.01241	1.2
241.18103	100.0
241.21652	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.181
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
61.67803	0.4
78.24953	0.4
78.95897	2.5
167.14365	1.0
197.19148	0.5
241.01170	4.3
241.18109	100.0
241.21573	3.1
245.28207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
53.22608	0.4
59.01384	2.8
65.11921	0.3
73.79115	0.4
75.47175	0.4
78.10507	0.4
83.05014	0.4
92.23106	0.5
99.59584	0.5
127.60896	0.5
155.77469	0.4
165.12894	0.6
167.10846	0.9
185.11821	14.3
197.15402	1.0
199.13411	0.8
223.17046	2.7
239.16580	0.6
241.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2175
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
58.33853	0.5
82.23394	0.4
85.67249	0.5
211.46410	0.5
230.67537	0.5
241.21764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2175
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
51.63624	0.4
55.20086	0.4
55.50083	0.4
56.50139	0.4
62.12371	0.4
74.17240	0.5
79.59853	0.4
89.90834	0.5
241.21758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59745	0.3
71.83768	0.3
75.42724	0.3
80.69320	0.3
117.27172	0.3
124.48376	0.3
127.07775	0.3
158.98378	0.3
241.21745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86968	0.2
53.72932	0.2
53.98672	0.3
55.40923	0.3
59.75551	0.2
64.19577	0.3
70.52795	0.3
75.49687	0.3
80.77005	0.2
89.99973	0.3
103.90682	0.3
172.47736	0.3
241.21748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33314	1.2
62.89870	1.5
64.41932	1.4
66.13424	1.3
68.12875	1.3
69.99332	1.3
71.01373	24.7
72.04543	1.9
73.05622	1.2
77.57294	1.5
82.02981	100.0
82.66920	1.5
92.22540	2.8
98.02456	19.2
100.04041	80.5
108.04564	3.1
110.06112	19.8
112.07655	1.5
114.01965	6.2
115.00365	78.9
126.01988	17.1
126.69692	1.4
131.98166	1.4
153.99699	1.9
154.05115	9.6
155.07100	1.4
170.04604	6.1
198.04097	36.0
198.07751	2.6
214.03598	8.9
219.87685	1.5
242.02985	13.7
242.06584	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02108	1.9
68.49860	2.2
72.99307	74.5
78.15646	2.3
84.61952	2.3
121.02944	5.8
122.03728	34.9
123.04535	13.3
124.01664	3.3
124.04064	3.3
133.02989	3.5
134.03737	48.6
137.02467	32.2
138.03249	5.1
139.04021	10.5
150.03185	3.8
151.04002	66.4
154.08656	3.1
158.62311	2.5
162.01994	5.7
168.03038	45.1
178.02731	94.1
195.03012	26.4
196.03891	3.0
204.18765	2.5
242.03079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85052	1.3
64.01919	1.5
66.73425	1.5
72.99305	69.6
93.96730	1.7
106.02988	2.0
109.43984	1.9
121.02953	6.7
122.03735	28.6
123.03192	1.8
123.04511	15.1
133.02907	6.3
134.03741	53.3
137.01567	2.3
137.02466	30.3
138.03230	6.7
139.03984	9.0
150.03247	2.7
151.04005	59.6
162.02016	3.1
167.03574	3.8
168.03033	44.3
178.02725	86.5
195.03035	23.9
196.03751	2.6
197.15248	1.9
242.03078	100.0
242.06789	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00271	1.1
78.43885	1.2
82.02982	9.6
83.01376	1.6
98.02460	1.7
99.99720	1.4
100.04029	3.7
107.05025	22.5
112.04051	12.5
112.07675	50.4
124.04020	5.9
124.07668	9.9
125.06096	3.5
126.09212	3.3
134.06096	1.5
136.07687	18.4
137.06068	3.4
140.07175	30.2
142.05106	1.7
154.08684	2.8
170.08240	15.5
180.06645	7.1
196.06172	30.4
198.07732	44.7
198.09425	1.9
214.07158	10.1
242.06712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35380	1.1
60.61678	1.2
61.29583	1.2
69.03465	1.4
69.87740	1.3
82.02970	12.3
83.01392	1.4
97.02980	2.8
98.02454	1.5
100.04043	9.2
107.05010	23.8
110.06054	1.5
111.03231	1.6
112.04062	13.2
112.07677	46.5
124.04002	2.7
124.07652	12.4
125.06093	5.9
126.05598	2.0
126.09250	6.0
134.06128	5.4
136.07672	19.5
137.06108	6.3
140.07170	32.3
152.07253	1.9
153.05536	2.1
154.08699	5.2
155.07057	1.9
168.06584	2.0
170.08179	15.1
180.06705	2.1
196.06178	29.3
198.07735	54.7
201.57262	1.5
214.07283	13.3
220.35358	1.3
242.06723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88766	1.2
72.04551	10.2
82.02982	90.7
83.01372	1.6
84.04526	1.4
85.02946	5.6
91.29105	1.4
96.62667	1.4
97.02941	1.8
98.02464	13.8
100.04044	66.1
100.31380	1.4
105.24844	1.5
106.46421	1.4
107.05019	13.7
112.04020	7.6
112.07681	23.2
124.04061	2.0
124.07663	2.3
125.06071	1.9
126.01935	3.5
126.09293	1.7
134.06096	1.9
136.07692	14.4
140.07188	14.2
142.05064	2.3
154.08723	3.0
170.08246	7.7
170.51213	1.5
180.06728	2.0
180.40993	1.7
189.06523	1.7
196.06184	22.7
198.07747	25.5
210.04861	1.9
214.07233	5.5
224.05580	1.9
242.06711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26270	1.0
72.04552	10.3
78.95894	1.3
80.46970	1.1
82.02980	100.0
85.02965	8.2
87.69929	1.0
98.02478	15.9
100.04043	68.7
108.04588	1.5
112.07685	2.9
126.01960	2.7
128.03545	1.9
136.07672	2.3
140.07173	4.4
170.08228	2.2
195.56520	1.1
196.06100	15.0
198.07719	5.7
242.01402	1.4
242.04509	3.0
242.06709	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00689	0.8
55.01861	1.1
58.23292	1.0
59.01355	0.9
69.03431	1.4
72.99306	2.4
79.27802	1.1
82.02982	29.1
83.01405	2.0
84.00883	0.9
85.06581	1.1
96.00890	1.4
97.02926	4.1
98.02473	5.1
100.04038	19.0
107.05030	26.7
110.06131	1.9
112.04021	11.0
112.07679	44.1
112.08426	1.8
114.05611	2.1
122.03779	1.0
124.04036	5.8
124.07671	8.6
125.06100	4.5
126.09248	6.3
128.03514	1.9
134.03709	1.9
134.06139	1.8
136.07695	14.9
137.06088	5.2
140.07179	32.3
142.05072	2.3
151.03966	3.9
152.07184	2.0
154.02487	1.0
154.08736	2.3
155.07152	2.1
168.03072	1.7
168.06709	1.3
170.08206	13.7
178.02748	4.3
180.06694	6.6
195.03006	1.9
196.06178	31.2
198.04004	1.5
198.05862	1.6
198.07727	47.3
214.07224	13.2
226.89455	1.0
242.02870	3.6
242.06734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.73334	0.9
59.08907	1.0
59.45405	0.8
65.15551	0.9
82.02972	11.6
83.01413	1.7
84.04556	1.3
85.06593	1.7
94.08637	1.1
97.02949	2.1
98.02486	1.8
100.04035	9.4
107.05029	24.3
112.04050	13.2
112.07682	48.2
124.04056	4.3
124.07685	8.5
125.06068	4.2
126.05659	1.2
126.09235	5.9
130.32803	1.1
134.06140	2.6
136.07692	20.7
137.06091	2.4
140.07188	27.1
142.05133	1.4
152.07181	2.6
154.08746	5.0
155.07114	1.7
170.08234	15.8
180.06732	2.2
196.06178	31.6
198.07751	44.7
214.07271	13.1
242.06744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26600	1.0
55.01865	1.2
82.02988	13.1
82.63021	1.3
83.01385	1.9
83.03373	1.2
84.04563	1.4
85.06612	2.0
88.29018	1.2
97.02944	2.7
98.02474	2.6
100.04057	8.1
107.05038	22.6
110.06149	2.0
112.04057	17.7
112.07685	52.2
121.37331	1.2
124.04025	2.9
124.07682	6.3
125.06062	5.4
126.09241	5.1
128.03542	4.8
134.06084	2.5
136.07686	23.3
137.06099	6.6
140.07190	28.3
140.08195	2.3
142.05151	1.7
150.05577	1.5
152.07208	2.7
154.08765	6.7
155.07141	2.9
157.36110	1.3
170.08180	11.8
180.06706	2.2
196.06180	32.7
198.05893	2.2
198.07738	56.1
203.39717	1.2
214.07294	13.4
224.10425	1.2
242.06740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86018	0.5
66.03487	100.0
73.21474	0.6
90.52179	0.6
94.02976	70.0
96.29799	0.6
107.03841	1.0
127.30688	0.7
127.77958	0.7
147.04558	1.0
168.08160	2.9
179.07416	2.3
180.08208	34.4
181.54646	0.7
196.07669	1.0
198.09270	20.0
203.73512	0.8
242.08197	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.14
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
58.02974	1.6
59.56110	0.5
71.05019	8.3
85.06586	1.2
97.44897	0.6
99.00888	6.0
106.80855	0.6
125.09727	16.8
158.33524	0.6
180.13925	7.0
181.12334	1.0
198.11171	0.7
198.15016	21.6
207.10216	4.5
224.12901	11.0
225.11293	4.7
242.14005	100.0
258.76309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.14
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
51.09892	0.9
51.70638	1.0
57.03445	7.1
58.02971	5.5
59.01376	4.5
62.64434	0.9
66.01765	1.3
92.23068	1.2
114.71448	1.4
116.01510	1.3
139.11285	29.9
144.04555	6.5
145.75728	1.2
166.64723	1.4
168.66641	1.3
170.15504	4.9
170.57953	1.2
180.13951	18.5
181.12308	2.4
184.13425	1.5
196.13423	2.2
198.15013	53.4
225.11372	1.3
241.94429	2.4
242.04874	1.4
242.14001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33739	0.4
53.48556	0.5
64.96234	0.4
67.71356	0.5
86.03436	0.5
92.22526	0.6
107.54690	0.5
117.36596	0.5
125.09718	0.9
153.12854	51.5
166.94385	0.6
170.15480	2.0
181.55455	0.5
195.90718	4.3
196.13463	4.5
197.11845	67.3
214.14502	100.0
215.12892	25.2
241.89981	8.1
242.14046	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.14
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06609	2.6
88.25221	0.6
99.52994	0.5
100.07738	0.8
122.81921	0.6
125.98533	0.5
160.68694	0.5
170.15509	16.5
198.15009	100.0
224.16528	1.9
232.88712	0.5
241.89906	0.5
242.14119	4.0
242.17790	2.7
242.22028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1763
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
50.66823	0.4
53.77903	0.4
55.27016	0.4
67.65276	0.6
68.99113	0.5
74.97736	0.4
75.55754	0.4
76.24731	0.5
92.23086	1.0
113.88964	0.5
137.55554	0.5
173.16673	0.6
181.15976	30.4
186.84879	0.6
198.18636	2.2
224.16594	6.4
225.12685	0.9
225.14966	48.4
242.17616	100.0
243.16055	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33928	0.7
60.82951	0.7
70.47382	0.7
85.17816	0.7
125.14553	0.9
216.16296	1.1
242.22093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34362	0.4
53.43177	0.4
54.47360	0.4
59.01379	0.6
64.63984	0.4
65.23343	0.5
65.37396	0.4
66.14981	0.4
70.25184	0.4
72.99300	9.3
85.02947	0.6
87.00862	2.9
93.07082	2.3
101.02438	0.7
109.06587	9.5
111.04517	1.9
111.08138	2.8
113.03495	0.5
115.36268	0.5
125.06061	2.2
127.03986	2.6
137.06078	11.1
151.26927	0.5
155.07141	20.7
182.68352	0.5
192.55119	0.6
199.06151	13.6
243.05095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50389	0.5
69.78732	0.6
72.99305	9.2
80.42223	0.6
80.63612	0.6
83.36670	0.6
93.03432	0.7
93.07099	1.5
101.02414	0.8
107.50946	0.7
108.85810	0.9
109.06592	10.8
111.04533	2.8
111.08121	1.5
118.60653	0.6
125.06080	1.2
127.03991	3.2
137.06070	10.8
155.03531	1.2
155.07133	24.2
199.06088	12.4
243.05095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86429	0.4
53.66151	0.4
62.59443	0.4
70.45665	0.4
72.99298	9.0
73.02927	0.6
83.04993	0.6
87.00848	1.0
93.07099	2.9
101.02417	1.2
102.00212	0.5
102.83158	0.5
109.06582	11.1
111.04482	1.2
111.08120	2.9
112.58361	0.5
117.06723	0.5
127.03976	2.3
137.06081	11.4
139.99207	0.5
155.03624	0.5
155.07138	22.3
163.22598	0.5
199.06169	11.6
199.13480	0.5
243.05098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24891	0.3
58.23502	0.3
59.01384	0.4
59.99442	0.3
67.85167	0.3
71.01389	0.4
72.99300	7.4
83.05027	0.9
87.00850	0.6
88.31788	0.4
92.22848	0.5
93.07088	2.6
95.34788	0.5
101.02440	0.7
109.06576	10.7
109.41102	0.4
111.04495	1.5
111.08134	2.6
112.05892	0.5
121.29874	0.4
125.06077	1.6
127.04002	2.7
137.06076	10.0
155.03473	0.6
155.07141	19.2
199.06128	11.4
243.05093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04512	0.4
70.77222	0.5
72.99299	6.7
82.31606	0.5
87.00892	0.6
93.07085	3.0
101.02459	0.8
102.32895	0.5
102.83058	0.5
109.06593	11.3
111.04504	0.9
111.08134	2.6
125.06087	1.2
127.04022	2.5
127.70850	0.5
137.06079	10.9
155.07146	20.5
157.31516	0.7
199.06157	12.7
243.05109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59464	0.3
56.97062	0.3
57.03432	0.5
67.01901	0.4
70.39989	0.3
72.99303	8.8
83.05053	0.4
84.64966	0.3
85.02914	0.6
87.00932	0.4
93.07088	3.4
97.02969	0.4
101.02428	0.7
109.06590	8.9
111.04509	1.7
111.08160	2.8
123.08139	1.5
125.06056	1.7
127.03967	2.7
137.06085	11.2
155.07135	19.4
167.03488	0.9
199.06149	11.3
199.13408	9.2
221.97379	0.5
243.05104	100.0
243.12341	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28399	0.3
59.01380	0.4
61.24998	0.4
67.11380	0.5
72.99300	8.2
74.81501	0.4
83.04944	0.5
85.02954	0.6
87.00875	1.4
93.07082	2.3
101.02427	1.7
101.81097	0.4
109.06584	9.1
111.04520	1.8
111.08140	2.6
116.07201	0.5
116.27085	0.4
125.06101	1.8
127.04015	3.7
128.07242	0.4
129.05605	0.4
137.06073	9.2
142.49110	0.4
155.07135	23.1
171.15048	0.8
199.06134	12.3
199.09709	0.9
243.05101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28399	0.3
59.01380	0.4
61.24998	0.4
67.11380	0.5
72.99300	8.2
74.81501	0.4
83.04944	0.5
85.02954	0.6
87.00875	1.4
93.07082	2.3
101.02427	1.7
101.81097	0.4
109.06584	9.1
111.04520	1.8
111.08140	2.6
116.07201	0.5
116.27085	0.4
125.06101	1.8
127.04015	3.7
128.07242	0.4
129.05605	0.4
137.06073	9.2
142.49110	0.4
155.07135	23.1
171.15048	0.8
199.06134	12.3
199.09709	0.9
243.05101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86429	0.4
53.66151	0.4
62.59443	0.4
70.45665	0.4
72.99298	9.0
73.02927	0.6
83.04993	0.6
87.00848	1.0
93.07099	2.9
101.02417	1.2
102.00212	0.5
102.83158	0.5
109.06582	11.1
111.04482	1.2
111.08120	2.9
112.58361	0.5
117.06723	0.5
127.03976	2.3
137.06081	11.4
139.99207	0.5
155.03624	0.5
155.07138	22.3
163.22598	0.5
199.06169	11.6
199.13480	0.5
243.05098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42936	0.6
52.37635	0.6
59.01382	0.6
59.68338	0.6
60.86932	0.6
61.55641	0.6
67.78761	0.5
70.02962	5.4
70.03284	0.6
72.00900	1.1
76.89340	0.6
83.05006	1.3
84.04537	24.6
87.00864	28.8
92.22989	1.0
93.03458	6.1
96.00902	100.0
98.02473	0.8
101.07192	1.4
111.04491	3.1
111.05620	1.2
114.01961	7.5
127.05129	5.7
128.03528	41.3
131.04578	3.0
137.02429	3.5
137.06139	0.8
137.07144	5.1
145.06194	8.2
155.03502	2.6
155.08253	1.2
157.06178	8.4
167.47528	0.6
171.07733	1.3
179.32651	0.7
181.06242	2.5
188.25041	0.7
225.05165	41.3
243.06142	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80897	0.8
53.67241	0.8
59.01369	1.2
59.52148	0.7
65.15913	1.0
70.02978	6.8
71.01375	1.1
72.00905	1.5
72.80744	0.8
79.33083	0.9
84.04541	25.7
96.00904	100.0
97.06566	1.5
98.02451	1.3
101.07184	4.2
110.02482	1.2
110.06097	3.8
113.06080	1.0
114.01971	6.9
125.06059	1.4
127.05136	7.2
128.03526	32.9
134.53908	0.9
137.06189	1.5
137.07211	4.5
143.74811	0.8
145.06183	8.9
150.79237	0.9
155.08304	1.2
157.06192	9.7
159.85956	0.9
169.08710	4.0
183.04099	1.3
201.84517	1.3
225.05186	33.5
231.16730	1.0
243.05318	5.0
243.05820	4.9
243.08609	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
57.14887	1.1
59.01369	1.5
66.03490	7.2
71.01379	1.3
71.45278	1.3
71.77251	1.2
73.48974	1.2
82.02980	16.1
94.02998	1.3
95.42305	1.2
96.04567	1.8
108.04543	2.4
110.02471	100.0
111.02028	5.5
113.02422	2.5
115.87537	1.2
120.86884	1.3
122.02473	9.0
124.04045	2.4
140.03508	11.2
146.34576	1.2
152.03542	20.3
153.03064	17.3
155.07111	2.3
183.04024	1.8
200.05659	37.9
243.06183	24.1
243.08957	1.7
243.09494	1.1
253.98579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
53.35571	0.3
83.01382	1.7
84.64304	0.3
95.22243	0.3
111.00874	13.4
112.93527	0.4
120.70135	0.4
123.00863	0.7
124.01657	1.9
131.05020	0.7
152.01163	0.7
171.08171	2.0
173.06068	41.4
181.12405	0.7
192.01413	0.4
199.13499	3.3
225.11343	1.4
243.06625	100.0
243.11987	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0664
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
68.99802	0.3
70.75298	0.3
78.44392	0.4
88.82462	0.3
92.23079	0.4
93.03431	0.4
94.12320	0.4
95.01396	1.9
108.02127	0.4
113.02394	0.4
115.07658	0.4
119.05055	0.6
127.05556	0.4
129.07085	0.3
134.73322	0.3
145.06560	1.4
147.04503	1.3
153.07127	0.7
155.05040	1.6
156.05798	0.4
157.06584	1.4
171.04517	9.4
171.08144	1.3
173.06137	2.6
181.06604	1.7
199.06056	0.3
199.07669	3.0
199.13461	0.4
200.04813	0.5
200.49348	0.3
207.10306	0.6
215.07256	0.6
225.11327	2.0
243.06635	100.0
243.11911	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0874
Annotation	Tensyuic acid A
Peak:m/z	Relative Intensity
58.00581	0.7
59.01360	0.6
69.03445	0.5
73.02940	2.9
80.66688	0.6
80.99792	0.6
84.04494	0.6
89.02433	1.0
95.04995	1.0
96.00890	0.7
97.06580	48.7
98.03734	9.3
98.09219	0.5
109.46270	0.5
110.02491	0.9
113.06085	16.3
123.22314	0.6
123.29852	0.6
125.06090	0.7
127.05081	1.1
136.05272	6.8
137.06047	1.2
151.07642	17.3
154.06360	16.8
154.57939	0.6
155.07030	0.7
166.06349	1.0
169.08704	100.0
181.08737	2.0
181.16187	0.5
225.05122	0.6
243.06557	2.1
243.08719	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0989
Annotation	CHEBI:73508
Peak:m/z	Relative Intensity
54.41436	0.8
55.83277	0.8
58.02976	1.4
60.00068	0.7
70.02958	0.9
73.55304	0.9
85.04086	4.6
85.06593	3.9
113.03584	6.7
113.06097	1.8
114.01932	2.1
128.07173	100.0
156.10284	34.8
171.89122	0.9
181.09877	1.7
199.10880	54.3
225.08804	1.9
243.07712	1.1
243.09984	6.2
243.12265	1.2
243.15961	5.1
264.69229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.45137	1.6
59.01376	4.3
71.58546	1.7
83.52158	1.6
91.86776	1.9
96.62587	2.1
97.02934	2.4
99.00899	15.6
100.06145	1.8
125.09739	4.6
128.82104	2.3
155.14400	2.5
163.11336	4.4
180.37578	2.0
181.12360	24.3
181.15981	2.9
182.16377	19.1
183.10219	2.4
199.13368	21.2
207.10274	41.1
225.11353	96.4
225.14832	2.8
225.17029	3.0
226.15318	29.7
243.07118	2.6
243.12404	100.0
243.16005	9.4
243.18007	62.2
244.16371	7.4
263.19330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69287	0.9
55.51420	0.9
71.05016	1.8
97.02946	2.5
99.00880	19.1
110.03722	1.6
125.09718	6.7
125.13425	1.1
127.11257	1.1
132.21924	1.1
133.43854	1.3
149.97375	1.1
155.14436	2.2
163.11327	13.2
163.80193	1.2
181.10870	1.8
181.12364	30.3
197.11824	2.1
199.13425	29.1
207.10275	54.0
216.51875	1.1
225.11345	99.9
243.12386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.19082	0.5
59.01381	0.8
63.18367	0.6
71.05025	1.5
81.24566	0.8
97.02954	1.4
97.06606	0.7
99.00878	16.6
125.09705	4.1
155.14343	0.9
163.11314	6.6
175.56506	0.8
181.12349	19.8
199.13412	18.0
207.10280	40.8
225.11336	79.4
225.58751	0.7
236.18048	0.7
243.06877	7.9
243.12381	100.0
256.04358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
54.57764	0.3
57.03450	2.3
77.06446	0.3
92.23101	0.5
132.90112	0.3
139.11296	2.8
141.12840	0.5
143.01392	0.4
153.12875	0.4
155.14458	2.8
163.11253	0.5
164.81433	0.3
169.12378	2.2
171.14093	0.3
181.12367	4.1
183.10214	0.5
185.11937	0.4
187.00334	0.4
197.11816	0.5
199.13416	100.0
207.10289	1.4
214.99889	3.6
215.12868	2.5
225.07423	0.3
225.11314	4.0
242.99367	3.4
243.06734	0.5
243.12386	20.1
243.15916	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.34677	0.5
59.01384	12.3
80.67999	0.5
97.02940	0.7
99.00909	0.9
124.14085	0.6
125.09707	1.1
139.11285	9.2
163.11298	4.4
165.09291	0.9
168.44008	0.7
181.12352	30.0
183.10280	13.9
197.11884	1.2
199.13448	4.5
201.11331	17.6
207.10298	29.4
215.12889	2.5
225.11340	100.0
243.12402	43.1
260.13837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
63.01723	0.5
78.25551	0.6
93.04365	0.5
96.88925	0.5
100.29154	0.5
114.28573	0.5
118.13904	0.5
152.20711	0.6
158.20523	0.6
181.15993	48.3
190.73166	0.6
199.17059	1.3
225.14977	80.8
243.16019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
51.28164	0.3
54.29201	0.4
57.18739	0.3
59.01377	2.1
76.25584	0.5
169.41864	0.5
181.16008	0.6
197.19099	3.9
199.17059	1.8
225.18608	2.1
241.18169	0.9
243.19676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.45823	0.9
59.01382	100.0
62.89457	0.8
68.40533	0.9
243.19656	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
65.80206	0.5
73.18607	0.6
76.70089	0.6
79.77393	0.6
84.85818	0.6
86.67046	0.6
108.58897	0.7
128.58307	0.7
139.00949	0.7
184.76598	0.6
195.17555	1.4
197.19128	85.9
200.45277	0.6
218.53775	0.7
221.63933	0.7
225.18614	2.7
243.19667	100.0
246.46187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78333	0.6
65.05795	0.6
71.01374	2.9
72.00904	0.8
72.60274	0.6
82.80273	0.8
87.00848	0.9
88.04025	9.0
96.00903	49.2
96.99310	1.3
97.01195	0.9
102.05580	3.1
111.00874	3.9
114.01946	20.4
115.00372	8.3
128.03528	100.0
129.03886	0.9
132.03033	8.3
182.04570	2.7
200.05597	1.0
226.03552	11.8
244.04619	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
70.02978	0.8
72.00893	1.4
72.99329	0.9
73.78659	0.9
76.38419	0.8
79.40347	0.8
82.02962	1.1
86.02455	1.0
88.04046	1.9
96.00908	58.0
96.99306	1.1
98.02492	1.1
102.05605	4.7
110.06113	1.3
114.01960	27.1
116.07186	1.4
118.25466	0.9
128.03535	100.0
128.07166	1.1
131.43089	0.9
138.05588	1.1
141.03012	0.9
157.01404	0.9
182.04585	1.9
200.09195	0.9
226.03593	15.3
241.26271	0.8
244.04549	8.0
244.08292	1.5
264.82776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0827
Annotation	Liarin
Peak:m/z	Relative Intensity
52.24785	0.5
57.03440	0.7
65.06814	0.5
68.05028	0.5
69.89817	0.5
72.04540	5.8
72.99277	0.7
76.97784	0.5
82.02976	10.2
83.01383	7.3
87.00881	0.6
98.02467	20.2
98.06103	3.6
99.00832	0.9
99.04482	1.4
100.04027	1.0
110.02489	0.7
116.07166	100.0
126.02022	0.7
126.09228	0.6
126.48181	0.5
128.03485	2.2
128.07111	0.7
128.10814	23.6
154.08775	3.8
156.10272	2.6
158.37862	0.5
164.07118	0.5
172.09760	1.1
182.08224	21.6
198.07742	6.4
200.09297	30.5
200.23689	0.6
226.07196	3.6
244.02888	1.7
244.05533	6.1
244.08238	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.6
59.01358	0.5
66.03464	2.4
72.04545	4.3
82.02984	20.7
83.01389	6.9
85.02960	0.8
98.02479	19.5
98.06101	3.0
99.00851	1.2
99.04494	2.7
100.04044	1.0
107.40371	0.7
110.02445	2.7
110.09756	13.4
115.07649	6.8
116.07170	100.0
126.02002	0.8
128.10814	21.6
130.08733	3.7
132.13686	0.7
140.10832	3.4
150.09299	0.7
152.10774	6.7
154.08728	4.5
156.10312	1.3
164.07220	0.8
164.10838	0.9
170.05499	1.0
172.09798	20.0
182.08234	24.6
182.11827	2.8
198.07765	5.4
200.09311	29.0
200.11121	1.4
226.07156	3.8
226.10838	11.7
244.08266	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10317	0.9
67.85790	1.0
71.01371	7.9
71.56290	1.1
80.24886	1.0
85.06583	1.2
101.19784	0.9
113.06011	1.1
115.00375	7.2
118.75138	1.0
126.06942	1.1
128.07173	100.0
128.10843	1.5
129.05617	2.0
129.31012	1.1
154.08755	5.5
156.10300	28.3
182.08197	2.1
198.22151	1.1
200.09305	66.3
244.05908	1.3
244.08281	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0979
Annotation	Pyrrolezanthine
Peak:m/z	Relative Intensity
55.73953	0.2
56.98692	0.2
58.02830	0.3
66.03478	2.0
67.28384	0.2
70.82545	0.2
94.02977	24.9
119.04999	0.4
124.04035	100.0
182.12724	0.5
183.36768	0.3
208.10782	0.5
226.11632	1.9
244.09769	1.2
244.12561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40554	0.6
54.37762	0.7
55.01881	1.1
59.01413	0.7
66.03493	1.5
67.76252	0.7
68.12772	0.6
68.28035	0.6
73.02943	1.5
82.06616	12.1
84.04515	1.1
98.02446	1.7
99.00885	1.4
111.03226	1.0
112.07710	1.2
124.10449	1.7
124.11308	31.3
127.12376	0.7
135.80424	0.8
140.07158	6.9
140.10820	16.5
150.09242	27.0
151.07642	1.2
152.07178	1.4
153.05574	0.9
166.08740	1.8
168.10294	100.0
189.32178	0.8
194.08226	11.5
208.10594	1.1
212.09299	38.9
224.70982	0.7
226.10829	9.6
244.06195	2.7
244.11905	27.3
244.15482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1555
Annotation	O-pivaloylcarnitine
Peak:m/z	Relative Intensity
53.70488	0.4
61.51482	0.4
61.65229	0.4
62.54895	0.4
85.32190	0.5
85.52358	0.4
86.01681	0.4
92.22486	0.7
153.12828	0.9
153.52588	0.4
165.12968	0.6
170.15498	6.2
180.13951	4.7
181.12373	5.9
183.13905	3.0
198.15009	42.4
224.96654	0.5
226.14632	0.6
240.55359	0.5
244.15552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1555
Annotation	2-Methyl butyroyl carnitine
Peak:m/z	Relative Intensity
51.52663	1.0
53.46405	0.8
56.38997	0.9
59.01383	100.0
63.55813	0.9
67.23581	0.8
81.71767	0.9
87.93259	0.9
91.45667	0.8
99.25336	0.9
102.36519	0.8
156.13960	4.6
167.10741	2.1
179.03598	1.2
182.15486	2.0
184.13435	52.5
200.10037	1.3
226.14496	1.9
244.02533	2.3
244.06200	1.0
244.15546	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0432
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.06224	0.6
54.63670	0.5
58.55585	0.6
61.56381	0.6
62.64604	0.6
63.21116	0.7
63.37906	0.7
70.34388	0.6
71.01406	0.6
71.86676	0.7
78.95901	59.7
79.67884	1.0
79.95766	0.8
88.04055	0.7
94.98066	6.5
96.96954	18.0
115.61898	0.7
116.07200	0.7
128.03525	0.7
129.10371	1.2
141.97867	0.8
152.99588	95.4
171.00647	41.7
201.12509	0.9
206.65715	0.7
245.04370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.082
Annotation	4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol
Peak:m/z	Relative Intensity
50.58365	0.2
57.03438	0.3
68.99805	0.2
69.03450	3.4
75.00883	0.3
79.53062	0.3
81.03452	0.7
85.02941	1.1
113.02447	9.2
126.03234	0.4
131.05022	1.8
132.76024	0.3
135.14743	0.3
141.07101	0.3
145.06581	0.4
149.06100	0.4
154.02719	1.9
157.06564	1.7
159.08133	1.6
173.06029	2.7
175.07564	0.5
183.08214	2.1
186.01741	1.1
187.09782	0.4
201.09206	2.4
212.24915	0.4
245.08203	100.0
251.80939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02981	19.4
68.82509	1.1
70.02980	13.7
72.00922	2.0
72.04533	3.0
72.90903	1.2
74.02467	72.4
86.21782	1.5
97.44963	1.3
98.02467	19.9
98.35899	1.4
106.77436	1.3
116.03536	23.7
116.05044	28.5
122.89553	1.3
130.06607	1.5
142.06662	6.2
159.09222	6.6
201.10312	9.6
203.08286	100.0
216.53986	1.6
225.85242	1.5
245.09320	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	18.0
59.05878	2.0
70.02978	14.4
70.03305	1.8
71.98062	2.0
72.00913	2.6
72.04538	3.2
74.02466	90.8
75.44370	1.7
82.62775	1.9
97.19467	1.9
98.02457	19.4
103.97697	2.0
116.03546	21.4
116.05058	29.8
116.17201	2.1
119.77728	2.3
128.20354	2.1
130.06578	2.4
142.06625	8.4
157.52600	2.0
159.09218	9.2
165.05534	2.4
171.10284	3.0
183.09210	2.9
201.10292	5.2
201.88078	2.4
203.08279	100.0
245.09326	77.5
245.11650	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	21.2
59.01373	1.1
69.54970	0.9
70.02970	15.8
72.00899	4.0
72.04528	4.0
74.02470	83.6
98.02463	24.9
116.03540	28.4
116.05045	27.2
130.06648	2.5
142.06619	6.3
159.09286	6.4
161.31235	1.1
183.09215	2.0
185.21449	0.9
201.10406	10.4
201.99283	0.9
203.08281	100.0
230.05763	1.1
245.09329	85.1
245.13885	4.0
245.91270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09354	0.8
55.46245	1.0
57.03452	13.9
59.01157	1.4
59.01387	23.5
64.55291	1.0
71.01380	78.0
71.05010	6.0
76.95480	1.1
77.17831	1.0
78.95908	2.8
83.03351	1.1
83.05025	23.7
85.02940	2.3
86.33303	1.1
87.00879	2.0
93.03454	12.1
97.06567	1.8
98.03729	1.8
99.04514	63.6
111.04492	2.4
113.02417	2.4
115.07685	1.2
116.07166	7.1
117.01933	1.1
121.06550	1.6
123.08129	2.8
124.05299	2.5
125.06075	25.1
127.03990	9.9
128.03525	8.9
129.10332	1.3
130.08711	1.4
137.02370	1.5
137.08757	1.6
137.09727	37.8
139.07635	16.1
139.11308	1.3
143.07175	24.1
149.06042	2.8
152.99573	4.7
153.09184	11.1
155.03468	1.7
155.10782	33.7
165.09201	35.9
171.00693	1.9
173.04562	34.2
183.10239	30.8
192.42145	1.2
201.11331	4.9
227.05624	18.3
227.10982	1.5
245.04395	3.6
245.06595	11.3
245.10297	100.0
262.53696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1183
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
70.11416	0.7
89.57437	0.8
90.26686	0.7
93.40370	0.7
117.03446	9.8
118.04252	4.3
119.05020	87.4
121.02953	3.8
133.02879	1.0
145.02954	47.1
162.03268	1.6
163.04012	61.6
198.25136	0.7
245.11838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
51.45197	0.9
54.26665	1.0
54.70073	1.0
57.03439	1.9
59.01381	92.6
61.75938	1.0
65.10904	1.1
66.03489	2.2
72.58419	0.9
72.99300	2.4
73.02936	12.3
75.00880	1.6
80.96493	1.2
81.47530	1.0
83.05038	1.6
85.02933	1.5
87.00864	7.1
87.04514	5.0
87.31808	1.0
92.22565	2.0
95.05029	1.7
99.00922	1.7
109.04064	21.6
109.94840	1.0
111.08139	5.8
123.08154	2.2
129.05544	1.0
139.07635	1.5
139.11287	6.8
141.09299	2.0
149.09700	1.5
157.08684	2.7
165.09299	1.3
167.10773	6.5
183.10271	6.8
185.11859	1.9
201.11232	2.6
218.78636	1.1
222.26476	1.2
227.12943	6.2
245.10452	20.1
245.13950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
67.62179	0.3
75.77530	0.3
77.02152	0.3
87.00878	0.4
143.62679	0.4
155.14467	0.8
165.12846	5.4
181.12369	0.7
183.13902	33.9
199.13406	48.4
201.14102	0.4
209.11980	0.4
227.12859	5.9
230.06026	0.4
236.52983	0.4
245.00972	0.7
245.13947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.11205	0.5
55.37488	0.6
57.35847	0.6
59.01102	1.2
59.01381	25.6
66.93087	0.6
72.84854	0.6
92.23141	0.8
94.64200	0.6
127.27212	0.6
158.21434	0.6
159.75832	0.7
165.12846	3.5
183.13911	32.3
185.11839	100.0
199.13385	2.4
227.12843	8.4
245.13954	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1758
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
50.73450	0.6
58.16890	0.6
59.01385	0.8
65.13311	0.6
85.40113	0.9
87.00848	1.2
119.97047	0.7
174.99274	0.9
181.12347	6.7
213.14899	1.6
217.22688	0.8
240.41566	0.8
245.17590	100.0
246.60008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07848	0.3
63.56437	0.3
64.14785	0.3
71.01385	4.9
72.99310	1.6
84.75610	0.3
87.00854	0.8
93.43146	0.3
95.45578	0.3
103.63216	0.3
114.03695	0.3
119.69086	0.3
155.14438	5.6
156.73163	0.3
169.16109	0.3
181.15991	22.6
183.17499	1.2
225.14999	0.5
227.16547	0.7
229.69516	0.3
245.17592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.176
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
50.27570	0.6
51.81294	0.6
55.26981	0.7
59.01383	100.0
84.92590	0.8
85.02932	1.3
89.33163	0.8
102.47750	0.7
127.11322	1.0
129.09167	0.9
135.26869	0.8
153.35193	0.9
170.80627	0.8
173.06105	1.2
185.15504	5.7
201.05568	1.3
245.04639	1.3
245.08197	7.0
245.17592	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0773
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
60.38996	0.5
101.63857	0.6
126.35987	0.7
126.65509	0.6
133.02960	43.2
136.02913	0.6
147.03264	70.0
160.04010	1.5
172.40648	0.7
172.53671	0.6
175.02740	2.7
175.07620	3.2
186.05646	0.7
195.32513	0.7
202.05209	0.8
202.08763	8.0
203.05841	1.5
218.08235	47.8
246.07730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59636	1.6
70.02982	3.6
82.02986	4.1
86.54076	2.0
98.02469	77.8
108.03848	1.9
110.02463	3.8
111.03256	92.2
114.01993	3.5
120.04601	2.1
130.08722	2.1
147.04539	9.7
156.08185	10.2
157.06589	2.6
159.08147	4.2
184.07689	100.0
195.53922	2.1
202.08777	70.1
202.10861	8.7
246.07811	26.8
246.11128	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0773
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
69.73882	1.0
70.77314	1.1
72.03458	1.0
73.58615	0.9
76.58196	1.1
84.00893	9.3
108.02172	1.6
135.03287	7.5
145.02946	40.1
146.03769	4.5
150.05606	24.9
150.15857	1.0
158.03722	1.5
159.04498	16.3
160.05284	12.6
171.04338	1.2
186.03242	11.4
187.04016	18.3
188.04828	38.4
202.05063	10.7
203.07220	4.5
214.02702	15.2
230.04630	2.4
231.05360	36.8
237.94185	1.2
246.07719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33859	0.9
55.01891	1.0
59.01364	1.1
59.43377	0.8
64.60638	0.8
71.01381	6.1
72.99303	10.5
82.02971	3.5
82.06625	4.2
96.00890	7.1
96.79678	1.1
98.02500	1.1
99.00900	1.8
105.99271	0.9
109.01681	63.0
110.02421	1.2
114.01945	5.5
130.08728	87.4
136.11836	1.0
138.09238	2.1
140.10817	32.2
142.08705	3.7
156.06657	1.1
156.10283	1.1
166.08730	33.9
168.06630	5.0
172.09795	6.6
184.09789	10.0
206.23303	0.9
210.07733	100.0
212.93243	0.9
228.08777	35.6
246.07652	1.1
246.09831	6.4
250.89760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.64661	0.7
71.01382	6.3
72.04533	1.8
72.99303	13.8
75.21124	0.9
79.81507	0.8
86.17753	0.8
92.44681	0.8
96.00952	6.7
99.00878	1.9
102.75948	0.9
109.01687	51.1
114.01963	4.1
130.08736	100.0
138.09222	1.4
140.10814	33.8
142.08746	3.6
156.10318	2.1
166.08725	15.0
168.06680	1.8
172.09784	5.6
184.09798	13.9
210.07741	64.6
228.08794	34.4
246.09787	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54610	0.5
55.16243	0.4
59.01384	2.4
68.82915	0.5
71.01378	6.6
72.04535	0.7
81.43213	0.5
81.57520	0.5
82.50739	0.5
88.04000	0.6
90.79703	0.5
96.00919	2.4
98.02463	0.8
99.00869	0.7
109.00990	1.1
109.01683	23.7
114.01974	2.4
114.09241	2.7
115.00359	1.2
130.08733	100.0
131.37085	0.6
138.09279	1.1
140.01752	2.7
140.10815	13.6
142.08725	17.0
156.06734	0.7
156.10300	1.0
160.73166	0.6
166.08725	8.1
168.06668	0.8
174.05496	0.9
184.09804	5.9
186.07713	3.8
200.09380	0.7
210.05676	1.2
210.07726	35.4
228.08797	13.5
246.09839	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.60998	0.4
57.03419	0.5
58.99598	0.6
59.01374	0.8
65.87815	0.5
71.01382	4.4
72.99298	12.0
73.42410	0.4
81.59476	0.5
82.02977	3.1
82.06613	3.2
96.00905	8.3
98.02463	1.2
99.00878	3.0
109.01684	60.0
110.02538	0.9
114.01919	3.9
115.14339	0.5
123.03277	0.6
130.08730	82.3
138.09293	4.0
140.01758	7.5
140.10818	30.2
142.08740	5.3
146.43611	0.6
150.28647	0.6
152.07147	4.9
153.53502	0.5
154.39163	0.6
156.10306	2.5
166.08728	33.5
168.06679	5.1
170.08177	0.7
172.09790	5.8
184.09793	12.2
200.09303	0.5
202.01765	0.9
210.07727	100.0
228.08786	37.2
228.11089	0.9
246.00584	1.2
246.09816	6.9
249.12000	0.6
265.44556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
59.01388	0.8
62.97228	0.4
71.01383	8.0
82.02973	0.8
82.06618	2.1
85.91862	0.5
94.64173	0.5
96.00922	4.6
99.00883	2.2
107.22392	0.5
109.01688	36.2
114.01967	2.7
114.09231	3.4
115.00327	0.8
119.44820	0.5
130.08737	100.0
138.09253	2.3
138.13004	0.5
140.10818	16.3
142.08739	21.9
146.82721	0.4
156.10269	1.1
166.08727	20.5
168.06702	1.8
184.09822	8.9
186.07738	2.5
193.80106	0.4
200.09306	0.8
210.07739	59.7
228.08789	14.4
236.29779	0.5
246.09793	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01272	1.1
50.69538	0.9
55.47871	1.0
69.47971	1.1
71.01362	2.3
72.04553	1.3
72.99305	14.4
77.88375	1.0
82.02969	1.3
82.06630	2.7
92.22559	1.2
96.00919	10.2
99.00883	5.2
109.01691	56.7
114.01967	2.5
118.04024	1.1
130.08733	85.1
138.09198	2.0
140.01727	1.8
140.10829	31.6
140.11823	2.3
142.08624	3.6
152.07176	9.9
156.10272	1.7
166.08742	30.3
168.06619	2.4
172.09795	2.7
184.09779	12.1
200.09300	2.4
210.07741	100.0
228.08803	42.8
230.38179	1.5
246.09877	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69525	0.6
59.01384	1.5
71.01366	7.4
72.04549	1.1
72.63821	0.6
92.22834	0.8
96.00925	1.7
96.04569	0.9
98.02441	0.9
99.00859	1.7
109.01686	23.6
114.01942	3.0
114.09251	1.1
128.03702	0.7
130.08730	100.0
138.09297	0.7
140.07166	0.9
140.10823	18.5
142.08739	16.1
156.10326	0.8
166.08711	8.9
168.06702	0.7
184.09746	8.0
186.07709	4.1
209.42560	0.7
210.07726	33.6
228.05125	1.1
228.08730	13.0
246.00385	1.4
246.09816	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89964	0.7
59.01382	1.8
64.03973	0.9
66.17165	0.8
71.01379	7.6
72.04536	0.8
96.00913	2.3
99.00864	1.2
105.51596	0.9
109.00999	1.3
109.01695	27.4
114.01926	1.5
114.09226	4.8
115.00352	3.7
130.08740	100.0
140.10812	18.8
142.08742	14.6
156.10277	1.4
166.08755	6.2
184.09772	8.1
186.07727	2.2
210.07745	30.1
228.03166	1.0
228.08818	13.0
246.09862	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96041	0.4
55.01883	0.6
59.01383	1.0
62.61558	0.4
65.95506	0.5
67.56268	0.4
71.01376	8.1
72.04539	2.2
92.61234	0.6
96.00909	1.1
97.63480	0.6
99.00829	0.6
109.01676	23.9
114.01989	0.9
114.09235	3.3
114.25063	0.6
115.00352	2.4
115.20560	0.5
117.79672	0.6
130.08727	100.0
138.09273	0.8
140.10814	16.5
142.08733	18.0
145.13580	0.5
151.49196	0.5
154.26515	0.6
156.10333	1.0
161.79715	0.5
166.08717	7.2
168.06601	0.8
184.09761	6.3
186.07712	3.7
190.41553	0.5
210.07719	31.9
228.08803	13.8
229.48604	0.7
241.58121	0.7
246.07761	1.1
246.09843	7.0
257.16638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25441	0.4
58.34565	0.4
58.69323	0.4
59.01386	1.1
59.62345	0.4
71.01385	10.0
82.02933	1.5
82.06613	2.2
84.08202	0.7
96.00900	6.2
98.02462	0.6
99.00862	1.1
109.01688	41.3
109.55898	0.4
110.02453	0.7
113.09750	0.7
114.01969	2.3
114.09264	4.6
114.35516	0.5
115.00351	1.2
116.05058	2.7
120.79734	0.5
130.08737	100.0
138.09262	3.0
140.10817	20.1
142.08733	22.1
148.14598	0.5
156.10303	2.1
166.08734	23.5
168.06674	1.8
170.42639	0.6
184.09824	8.7
186.07727	4.4
200.09196	0.8
202.08768	2.0
210.07741	67.4
211.71667	0.5
228.08788	19.3
246.09926	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04637	0.8
59.01363	1.9
60.44109	0.8
70.79281	0.8
71.01379	7.2
72.99305	10.1
81.02221	1.2
82.02980	1.1
82.06628	4.0
84.08199	1.1
96.00912	9.7
98.02477	1.3
99.00887	3.3
109.01687	51.9
114.01938	1.9
114.09222	1.0
121.38965	0.9
130.08733	100.0
138.09299	2.0
140.10820	30.5
140.11801	1.8
142.08757	11.1
147.19037	0.9
156.10292	1.0
162.17104	1.0
166.08737	29.4
168.06676	3.7
171.65781	1.1
172.09836	2.3
184.09802	10.6
186.07864	1.5
210.07732	98.3
228.08806	28.6
246.09824	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36560	0.6
52.91929	0.6
53.24057	0.6
59.01381	1.7
67.77312	0.8
71.01379	8.1
72.71515	0.7
74.05634	0.7
82.02978	1.0
82.06645	1.3
82.89329	0.7
89.08249	1.0
90.29104	0.7
96.00900	5.6
96.31235	0.7
99.00868	0.9
109.01687	36.0
114.01955	1.5
114.09215	1.4
115.00370	1.2
122.57284	0.8
128.47751	0.8
130.08736	100.0
138.09238	3.3
140.10812	18.3
142.08746	24.3
152.07130	1.9
156.10258	0.9
164.07954	0.8
166.08737	18.6
168.06635	1.7
184.09712	5.9
186.07744	3.9
200.09302	0.8
210.07736	59.2
220.52373	1.0
228.08792	19.1
228.10846	1.5
246.09949	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26409	0.7
52.86092	0.6
54.36446	0.8
72.99294	1.0
95.47543	1.0
97.67160	0.7
100.32424	0.8
109.01667	3.4
114.09222	5.6
130.08734	56.3
140.01764	3.8
140.10820	4.3
144.10286	7.3
158.08189	1.1
158.11858	15.3
172.59462	0.9
174.07658	0.8
184.09669	0.9
188.09294	13.1
202.10872	100.0
210.07719	7.4
228.08788	1.5
246.07765	0.9
246.13467	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26409	0.7
52.86092	0.6
54.36446	0.8
72.99294	1.0
95.47543	1.0
97.67160	0.7
100.32424	0.8
109.01667	3.4
114.09222	5.6
130.08734	56.3
140.01764	3.8
140.10820	4.3
144.10286	7.3
158.08189	1.1
158.11858	15.3
172.59462	0.9
174.07658	0.8
184.09669	0.9
188.09294	13.1
202.10872	100.0
210.07719	7.4
228.08788	1.5
246.07765	0.9
246.13467	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	2.8
59.01387	2.3
70.02970	41.3
71.01381	2.7
72.00900	7.4
72.99304	9.0
82.02969	1.3
85.04074	5.8
89.92122	1.3
95.02502	2.1
96.00906	40.2
97.56731	1.5
98.06126	1.6
99.00859	5.4
109.01660	5.6
110.02019	5.8
113.03559	63.6
114.01955	100.0
123.05670	15.4
125.03577	2.1
130.08727	17.9
131.04614	60.7
131.09087	20.9
132.03050	13.0
141.06654	1.7
141.11160	6.9
142.08514	1.6
143.04620	22.8
143.09059	1.5
149.03542	17.2
155.03499	1.6
155.04578	13.0
157.06129	6.0
167.04607	13.9
167.09102	1.5
173.05667	3.4
173.30574	1.5
185.05653	7.3
193.02521	10.6
211.03612	82.2
211.08005	14.0
218.48769	1.8
229.04663	73.3
229.09145	6.1
247.05812	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14196	1.3
58.45904	1.4
59.01379	3.2
67.54382	1.5
70.02976	23.3
71.01350	1.5
72.00906	16.0
87.05618	2.0
95.02522	2.1
96.00901	25.7
99.00859	1.6
100.04018	3.6
111.62911	1.5
113.03556	65.1
114.01959	67.4
123.05630	11.1
124.03997	3.0
125.03513	1.6
131.04620	100.0
132.03050	18.5
143.04610	17.2
149.02417	2.2
149.03555	8.9
157.06192	3.3
167.04640	10.7
185.05629	1.9
187.03587	2.1
193.02617	3.9
193.50760	1.8
209.33276	1.5
211.03604	47.7
229.04700	32.0
247.05769	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89939	0.9
55.66542	0.7
57.11983	0.7
58.03002	0.8
59.01373	8.1
66.90710	0.7
70.02972	25.5
71.01370	1.8
71.02509	1.3
72.00906	19.1
72.28519	1.0
77.93448	0.8
85.04073	2.2
86.02458	1.1
87.05632	1.0
88.04029	3.6
95.02493	1.8
96.00903	21.8
99.00893	1.7
100.04054	5.6
101.91673	0.8
110.25910	0.9
113.03560	54.0
114.01956	65.6
123.05630	9.9
124.04006	1.2
125.03607	2.9
131.04617	100.0
132.02997	14.6
141.26874	0.9
142.05072	1.1
143.04617	18.2
149.03561	11.2
149.47899	1.2
154.04469	0.8
157.06187	4.9
167.04626	9.5
169.02516	0.9
180.16687	1.0
185.05656	3.8
187.03690	1.9
193.02579	4.8
211.03632	36.8
229.04660	33.1
247.05713	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
52.58357	1.1
53.08769	1.3
55.74543	1.2
56.25377	1.2
59.01382	8.2
62.51560	1.4
67.87064	1.3
70.02980	27.5
71.01389	2.3
71.48069	1.7
72.00912	15.4
79.66176	1.3
85.04053	2.9
85.95406	1.3
87.30952	1.7
88.04041	2.6
95.02500	2.9
95.24403	1.6
96.00922	18.0
100.04031	2.7
113.03565	55.9
114.01964	65.9
114.02764	2.3
123.05656	9.4
124.04036	2.4
131.04622	100.0
132.03033	17.0
143.04637	16.2
144.56549	1.4
149.03560	8.3
157.06137	3.8
167.04617	10.0
185.05553	3.1
193.02518	3.1
207.97885	1.6
211.03607	39.6
229.04671	29.2
247.05699	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33689	0.8
55.68703	0.7
58.02973	4.8
59.01389	1.5
67.03018	1.0
70.02975	37.0
71.01375	4.3
72.00904	7.9
72.99287	10.2
75.00871	0.7
85.04070	7.8
86.02465	1.1
95.02498	3.6
96.00906	41.8
98.06082	1.3
99.00878	3.8
110.97839	0.9
111.01987	4.4
113.03561	62.9
114.01960	100.0
114.80894	0.9
121.04063	1.1
123.05634	18.1
124.03990	1.7
125.03534	1.2
131.04614	62.9
132.03033	11.9
142.05054	4.3
143.04643	18.2
149.03568	17.7
155.04607	16.5
157.06190	8.0
167.04631	16.5
173.05640	4.6
185.05708	6.6
193.02617	10.1
209.04060	0.9
211.03618	81.2
217.01312	2.2
229.04662	76.1
232.03766	2.1
247.05807	5.5
247.11923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04719	1.6
51.26975	1.4
51.41140	1.3
51.41372	1.5
58.02964	3.1
59.01394	2.8
60.71226	1.6
70.02975	44.3
71.01386	3.4
72.00916	10.9
72.99307	4.5
74.21998	1.7
85.04073	3.5
87.49693	2.2
96.00905	46.9
99.00870	3.6
113.03568	71.2
114.01957	100.0
123.05630	22.4
131.04620	70.0
132.03069	15.2
142.05142	2.9
143.04599	20.3
149.03575	23.4
155.04651	16.8
157.06172	8.1
167.04581	17.7
173.05719	6.5
181.19353	1.7
185.05627	7.5
185.74388	1.8
193.02574	8.6
211.03633	87.1
229.04655	80.4
247.05779	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
70.02975	24.3
71.01410	1.5
71.02527	0.9
72.00900	16.5
72.91492	1.1
85.04073	1.5
88.04032	2.5
95.02513	2.5
96.00910	17.7
100.04031	2.6
113.03563	54.0
114.01952	61.1
123.05627	9.8
125.03487	1.3
131.04616	100.0
132.03024	16.4
143.04637	13.9
149.03606	8.7
153.93773	1.1
154.83678	1.0
157.06177	5.0
167.04620	11.8
185.05658	1.5
187.03683	3.9
193.02550	6.7
211.03615	39.7
229.04659	32.9
247.05605	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42776	0.8
58.02971	4.3
60.36823	0.7
67.03024	1.0
70.02977	34.3
71.01373	2.0
72.00913	7.2
72.99306	8.8
85.04089	6.5
86.02465	1.2
87.05622	1.5
95.02510	1.6
96.00905	39.8
98.06093	1.4
99.00880	5.2
101.76135	0.9
112.04053	1.1
113.03567	61.8
114.01962	100.0
123.05647	18.6
124.04034	5.6
125.03574	3.9
131.04625	61.3
132.03017	11.3
141.06752	1.3
142.05106	1.2
143.04610	16.5
149.03566	21.7
152.05673	0.9
155.04617	13.0
157.06152	6.9
167.04630	16.6
173.05716	6.7
185.05640	6.7
187.09669	1.3
193.02538	10.2
211.03619	65.8
229.04678	68.4
247.05800	4.4
247.11870	3.5
251.56471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36411	1.2
56.34211	1.6
58.02975	2.7
58.43449	1.2
59.01382	2.7
64.03529	1.4
70.02975	24.6
71.17595	1.4
72.00909	18.3
74.17753	1.4
82.26933	1.5
85.04071	2.4
87.05642	1.6
88.04037	1.9
95.02530	2.8
96.00898	23.0
100.04030	3.4
113.03566	47.1
114.01955	69.6
123.05649	13.4
124.04028	1.8
125.03542	1.6
131.04623	100.0
132.03032	16.5
143.04636	12.7
149.03560	9.4
157.06219	3.6
167.04620	13.0
185.05730	3.0
193.02480	2.3
211.03647	36.7
229.04665	32.0
247.05750	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
51.45069	0.9
56.21001	1.1
59.01381	14.3
68.96371	1.1
70.02975	25.0
71.01382	5.3
72.00906	18.9
72.99302	1.8
75.00862	8.1
80.22052	1.1
87.00909	1.3
87.05625	1.2
88.04036	1.6
89.02406	1.4
90.43847	1.1
95.02509	4.4
95.25192	1.1
96.00907	23.5
99.00848	2.0
100.04048	6.4
110.86000	1.1
111.01987	1.4
113.03567	54.4
114.01958	68.6
115.04015	4.0
123.05692	9.6
125.03634	1.3
130.99336	1.2
131.04619	100.0
132.03040	14.6
143.04646	13.7
149.03546	10.5
157.06174	2.2
167.04578	9.0
168.77354	1.2
174.98293	20.0
185.05716	2.1
193.02539	6.3
211.03622	38.2
214.96521	1.4
229.04698	30.3
238.32782	1.1
240.68695	1.2
246.96750	5.6
246.99231	1.3
247.05766	4.4
247.08223	3.6
247.11870	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
50.20908	1.2
56.64231	1.1
58.02973	3.0
62.56067	1.1
70.02981	35.6
72.00911	9.8
72.62106	1.3
72.99311	8.6
73.60942	1.2
81.61520	1.5
82.46047	1.4
85.04080	7.4
96.00904	46.1
99.00861	2.6
113.03568	62.2
114.01962	100.0
123.05656	15.6
124.04044	2.6
125.03579	2.0
127.86108	1.5
131.04622	64.4
131.05611	2.3
132.03029	9.9
141.58621	1.4
143.04620	14.3
149.03566	21.2
155.04607	10.4
157.06223	2.3
167.04622	16.1
173.05707	7.1
185.05647	7.9
193.02563	10.9
196.09555	1.4
196.41318	1.6
211.03629	80.0
229.04662	64.0
229.06837	2.8
247.05650	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
57.92488	0.8
57.92773	0.9
59.01384	5.3
63.63696	0.9
70.02973	25.8
71.01387	0.9
72.00906	19.4
85.04095	4.2
86.02468	1.6
87.05629	1.1
95.02525	4.3
96.00910	22.6
99.00880	1.7
100.04037	4.2
113.03566	51.6
114.01958	71.5
123.05636	12.0
125.03561	3.9
131.04623	100.0
132.03018	16.5
143.04611	18.4
148.61604	0.9
149.03586	9.7
157.06142	3.7
158.64771	1.0
167.04623	12.4
185.05679	2.3
187.03645	1.9
193.02480	4.5
211.01588	1.5
211.03613	42.4
217.22386	1.0
229.04654	29.9
247.05669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12381	1.4
53.75406	1.2
57.77177	1.4
58.02980	3.3
70.02973	46.0
71.01367	2.1
72.00909	6.8
72.42677	1.5
72.99301	9.5
78.93530	1.5
85.04065	6.9
86.02448	1.9
95.02493	2.0
96.00911	40.4
99.00860	7.8
111.01989	1.7
113.03565	66.7
114.01962	100.0
123.05666	18.8
125.03530	3.7
131.04616	62.9
132.03079	11.0
141.06670	1.6
142.05080	2.8
143.04622	20.7
149.03555	19.7
155.04604	13.1
157.06187	10.3
159.05553	1.7
167.04630	23.0
173.05673	7.7
185.05748	3.7
193.02481	13.0
211.03627	76.1
229.04668	68.5
247.05592	2.1
247.11932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07667	0.8
58.02974	2.2
59.01381	6.6
68.18452	0.9
70.02979	25.4
71.01347	1.3
72.00900	21.2
77.92255	0.9
78.13794	0.8
85.04063	2.0
86.02431	0.8
88.04040	1.8
95.02525	3.5
96.00909	23.9
99.00878	1.4
100.04035	6.8
103.20508	0.9
111.01995	0.9
113.03564	62.9
114.01965	67.6
123.04849	1.0
123.05627	9.9
125.03558	2.0
131.04619	100.0
132.03024	15.6
143.04620	19.4
149.03557	13.0
157.06151	4.8
167.04645	11.0
185.05699	1.4
193.02586	5.5
211.03625	40.0
229.04660	33.0
247.05702	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0572
Annotation	Asp-Asp
Peak:m/z	Relative Intensity
53.64245	0.8
58.02975	1.6
58.73508	0.8
59.01382	6.3
63.07103	0.9
64.64330	1.0
70.02975	24.9
71.01363	1.4
72.00902	15.5
85.04087	2.3
88.04034	1.7
89.59245	0.9
95.02517	2.2
96.00903	21.5
96.65578	1.1
99.00884	1.3
100.04041	2.3
111.03054	1.1
111.04955	1.2
113.03564	62.0
114.01962	66.0
116.44794	1.1
120.17891	1.0
123.05659	9.7
125.03548	2.1
131.04620	100.0
132.03020	14.3
142.05118	1.5
143.04636	13.4
147.75349	1.1
149.03552	11.9
157.06169	4.4
164.41255	1.0
167.04596	10.8
185.05675	2.3
187.03664	1.6
193.02533	5.0
201.77870	1.3
211.03625	45.0
229.04666	37.5
247.05655	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0612
Annotation	Misakimycin
Peak:m/z	Relative Intensity
57.27826	0.7
59.01379	3.0
63.00042	0.8
63.35675	0.8
65.93857	0.6
79.95795	0.7
83.15851	0.7
92.23115	0.9
93.03452	87.8
97.02966	1.4
108.02158	3.3
115.74344	0.8
120.02194	0.8
123.04510	1.6
125.02409	1.0
187.03995	3.3
188.04788	5.2
203.07166	1.0
204.04279	1.6
232.03781	41.2
247.06134	100.0
268.80478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12959	0.4
54.53428	0.4
55.01863	0.8
59.01384	6.9
68.60147	0.4
71.01379	1.2
71.05015	0.9
71.34648	0.5
73.02938	1.9
75.00866	3.3
79.68711	0.5
83.01384	69.3
85.02942	7.3
87.04509	3.0
88.12775	0.4
88.63361	0.4
89.02418	0.7
95.01421	0.4
97.02942	21.0
101.02450	3.1
113.02475	1.0
115.04002	100.0
120.03813	0.5
125.06297	0.6
131.03510	6.6
149.04555	7.9
190.67174	0.5
229.07208	1.0
247.08194	4.3
247.12015	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13527	0.3
55.01885	0.3
57.03457	0.8
59.01104	0.4
59.01385	7.0
69.03459	0.5
71.01380	1.2
71.05024	1.5
72.99306	2.8
73.02939	1.7
75.00867	50.0
83.01387	71.6
85.02955	7.2
87.04512	2.9
89.02431	0.7
93.03473	0.5
96.47614	0.3
97.02944	19.6
99.00880	0.4
101.02427	2.6
104.68568	0.3
111.04517	0.5
113.02443	2.1
113.06079	0.4
115.04004	100.0
125.06033	0.3
129.05540	0.3
131.03497	5.4
149.04570	8.6
149.96005	0.4
151.51253	0.3
153.09229	0.4
155.03578	0.5
157.05038	0.5
174.98239	0.5
175.14987	0.4
204.95688	0.4
217.09818	1.3
229.07269	1.9
247.08231	6.9
247.11884	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26200	0.6
51.86238	0.6
52.61225	0.6
58.02977	1.5
70.02982	8.9
71.02502	0.9
72.00910	1.5
85.02947	3.3
86.06124	4.3
89.75279	0.6
90.15313	0.6
95.02511	4.0
96.00890	0.7
97.02940	1.4
110.98952	0.6
111.01999	3.1
113.03574	32.8
114.01962	55.1
114.05585	5.2
115.03974	1.2
118.86562	0.6
131.01578	1.3
131.04620	100.0
132.06660	54.6
143.25069	0.7
144.06624	1.5
149.04530	0.9
211.03508	1.7
229.04564	0.7
247.09431	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0978
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.65123	0.5
59.01385	6.3
59.66405	0.6
59.84480	0.6
71.05026	0.9
82.23910	0.6
91.73289	0.8
117.03461	9.4
118.04254	4.2
119.05023	43.8
120.38896	0.6
121.02934	4.1
123.04488	1.5
125.31224	0.7
134.29669	0.7
145.02956	100.0
157.25803	0.7
162.03256	2.6
163.04019	9.3
247.09770	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37116	0.5
59.01389	0.6
60.44154	0.5
60.44470	0.6
63.28864	0.5
64.27677	0.5
71.20904	0.5
92.22534	0.7
105.03487	0.6
133.02963	23.6
133.03998	0.8
134.03760	7.7
137.02414	0.9
149.02446	0.8
149.06096	1.5
160.01732	2.6
175.04068	2.6
177.01947	13.0
177.82906	0.7
178.02721	10.2
188.04755	0.8
193.05055	8.3
203.03490	0.7
204.07817	0.6
232.07425	100.0
247.09784	42.5
247.12296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1186
Annotation	oscr#9
Peak:m/z	Relative Intensity
59.01366	1.2
61.11978	0.7
72.99297	12.8
75.00866	68.7
104.48173	0.7
110.69451	0.7
128.49699	0.7
171.10268	36.7
175.04080	0.9
183.82642	0.7
185.11832	6.8
201.11377	7.7
224.34624	0.9
247.06264	3.5
247.11877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30804	0.5
54.51387	0.5
59.01374	0.7
60.03775	0.5
72.99300	12.7
75.00869	76.6
78.73401	0.5
99.66690	0.5
115.24519	0.5
130.08691	0.7
132.54247	0.6
171.10275	36.6
171.11748	1.3
185.11795	5.3
185.65489	0.7
201.11325	8.0
203.11223	3.7
217.01230	0.7
247.11874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83013	0.8
52.72738	0.6
62.10201	0.7
69.76681	0.8
70.78296	0.8
72.99300	11.5
73.02952	1.8
75.00869	78.9
76.87551	0.7
91.24565	0.7
92.22317	0.8
92.55637	0.8
125.09708	1.2
127.11274	3.5
147.74057	1.0
155.10786	1.7
171.10265	41.5
185.11848	7.5
199.13460	1.3
201.11363	16.5
209.11850	0.9
211.13274	1.7
215.12883	6.0
227.12845	3.4
229.10803	1.0
229.14436	14.0
247.11876	100.0
247.15526	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30804	0.5
54.51387	0.5
59.01374	0.7
60.03775	0.5
72.99300	12.7
75.00869	76.6
78.73401	0.5
99.66690	0.5
115.24519	0.5
130.08691	0.7
132.54247	0.6
171.10275	36.6
171.11748	1.3
185.11795	5.3
185.65489	0.7
201.11325	8.0
203.11223	3.7
217.01230	0.7
247.11874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
52.79512	1.5
59.01384	26.0
62.67946	1.5
65.97906	1.7
69.68234	1.8
81.59353	1.7
92.23207	2.6
95.05044	4.0
106.04235	4.5
108.05798	3.0
109.06599	3.7
116.53268	1.8
120.05782	1.8
121.06583	29.4
123.08174	2.8
131.05025	2.2
149.09717	100.0
174.10492	1.9
175.11284	18.7
183.44150	2.0
201.12836	4.4
203.12543	3.3
203.14447	82.2
208.96910	1.9
229.12419	6.0
245.11783	4.0
247.09714	3.3
247.10797	2.7
247.13435	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31692	0.5
59.01400	0.4
61.80925	0.5
68.18190	0.4
70.60908	0.5
73.02950	2.0
75.00856	0.9
101.68915	0.5
127.11261	0.5
130.00742	0.5
143.10748	0.6
155.10815	0.8
164.05338	0.5
171.10258	6.1
173.08257	0.6
174.25320	0.5
201.11359	7.6
209.11780	0.9
211.13380	2.4
215.12924	10.2
227.12914	4.9
229.14442	13.0
247.15521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
61.42257	0.3
64.98935	0.2
73.02939	2.0
75.28883	0.3
125.09700	0.5
127.11310	2.0
139.11261	0.4
153.09178	0.3
155.10796	1.5
155.14430	0.3
157.12282	0.3
171.10234	3.6
181.12416	0.4
197.11830	0.3
199.13380	1.2
201.11336	11.4
209.11830	1.1
211.13475	2.6
215.12888	4.6
227.12915	3.7
229.14462	11.9
247.15517	100.0
264.82611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.6
63.69549	3.8
72.68505	3.9
86.93355	3.1
90.87411	4.1
93.96736	3.4
98.42195	3.2
103.76521	3.4
104.85516	3.8
149.87180	4.0
186.95601	7.0
195.71756	4.0
203.18115	30.4
219.13901	16.4
247.13326	15.5
247.17061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81191	2.8
59.01373	19.8
61.42481	3.0
81.49429	3.0
87.43240	4.2
89.23206	3.7
100.13541	4.0
149.13341	5.1
175.15018	4.3
203.18115	31.1
247.17081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1705
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
55.59692	0.2
56.46976	0.2
56.75410	0.2
67.02335	0.2
118.96809	0.3
152.35364	0.3
167.96539	0.3
247.17046	100.0
256.45740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2068
Annotation	Sterol
Peak:m/z	Relative Intensity
56.61142	0.6
57.03450	0.9
59.01371	1.5
86.99082	0.8
96.22976	0.7
97.06553	1.3
100.59327	0.7
106.37539	0.7
108.05822	1.1
111.29878	0.8
112.56667	0.8
229.19684	1.5
245.19102	1.1
247.13438	1.6
247.20685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.6
60.00990	0.6
70.02967	10.7
70.99593	3.3
71.01373	14.1
72.00901	10.6
83.03444	0.6
84.08198	1.1
86.02431	1.4
86.48783	0.7
88.04031	27.6
90.85412	0.7
96.00900	52.0
98.02460	1.1
98.06090	3.5
100.04026	3.8
106.48898	0.9
110.06107	1.2
114.01953	31.9
115.00361	42.3
117.00157	0.9
118.90373	0.8
124.04033	4.4
132.03020	100.0
132.06650	5.4
133.01422	3.8
142.05058	5.8
142.08708	0.9
144.03012	8.1
158.04683	1.3
168.03011	31.8
172.91267	0.8
186.04111	3.7
188.01976	1.0
212.02010	12.4
221.27487	0.7
230.03055	41.9
248.04050	7.1
248.07797	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68487	1.0
52.94958	1.0
52.96939	1.2
54.38287	1.0
58.54426	1.2
59.01379	5.8
69.89429	1.2
70.02979	13.2
71.01388	12.7
72.00909	12.2
73.97967	1.2
79.48775	1.4
86.02489	2.6
88.04042	33.0
89.28866	1.3
96.00907	55.4
98.02470	1.7
98.06133	2.2
100.04044	6.2
111.04047	1.4
114.01969	41.1
115.00372	41.8
121.61242	1.5
124.04038	5.1
128.29059	1.6
132.03036	100.0
132.06639	2.7
133.01451	5.8
142.05092	8.1
144.03036	11.8
149.02505	1.7
168.03032	38.6
176.64401	1.2
186.04071	2.9
205.05122	1.8
212.02071	11.5
230.03075	46.8
248.04060	8.7
260.30084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79678	0.8
57.22262	0.8
59.01380	3.8
67.11940	0.7
67.99339	0.7
70.02972	10.3
71.01386	13.7
72.00911	8.3
77.05563	0.8
86.02458	1.1
88.04030	27.3
96.00903	57.9
98.06106	2.2
100.04055	4.1
101.02416	1.0
114.01964	29.6
115.00362	37.1
124.04024	5.2
124.97940	0.8
132.03024	100.0
132.06674	4.5
133.01414	4.6
136.39284	0.9
142.05060	4.6
144.03020	9.9
159.52472	1.0
168.03020	27.7
176.47464	1.0
186.04143	4.3
202.45755	1.2
212.01996	11.0
230.03056	36.4
248.04100	5.0
248.07773	2.2
248.12151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26795	0.7
52.25100	0.7
59.01379	5.6
59.42703	0.7
70.02974	11.0
71.01381	11.0
72.00903	11.6
72.04532	0.8
85.39810	0.9
86.02468	1.2
87.18080	0.8
88.04037	25.0
96.00909	57.4
96.94978	0.9
98.02465	1.4
98.06099	3.7
100.04033	3.3
114.01966	37.9
115.00359	38.3
124.04047	6.4
125.24519	0.9
131.31573	0.9
132.03021	100.0
133.01393	4.6
142.05081	5.6
144.03026	8.0
153.27173	0.9
168.03017	31.1
186.04114	2.0
188.02023	1.5
198.65219	1.0
212.02028	8.1
230.03059	42.9
248.04105	5.6
251.39445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75813	0.2
66.02090	0.2
70.39097	0.2
72.77386	0.2
82.02979	0.3
88.37352	0.2
100.38032	0.2
102.78722	0.2
130.06628	3.7
158.06102	1.0
159.03259	1.2
160.04053	1.2
160.07607	0.4
161.04825	1.5
164.38716	0.2
172.04042	0.5
174.05598	19.8
176.07237	2.1
186.05609	21.7
187.06398	100.0
189.04329	9.4
190.05147	0.3
203.05859	0.3
204.06673	32.5
248.05629	0.5
248.09433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0718
Annotation	Dubamine
Peak:m/z	Relative Intensity
68.05574	0.5
68.52767	0.4
70.46922	0.5
82.54812	0.5
83.14095	0.5
86.59988	0.5
93.69754	0.5
96.40133	0.5
114.69310	0.6
128.57811	0.5
134.32071	0.5
138.53203	0.5
143.12292	0.5
192.04556	2.2
204.06647	0.5
205.05328	2.4
218.41534	0.5
220.04027	25.7
222.05563	0.7
230.14978	0.5
233.04820	100.0
247.06061	1.8
248.03528	27.1
248.07169	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.093
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
53.13269	0.4
56.96133	0.4
64.57405	0.4
65.63996	0.4
72.04546	6.7
76.45177	0.4
82.02983	100.0
91.05523	12.0
96.67442	0.5
98.02484	9.9
100.04045	71.5
120.43073	0.5
174.05615	1.2
176.10809	2.6
188.98531	0.5
202.08774	23.4
204.10396	0.6
205.59239	0.5
248.09297	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.093
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32104	0.5
69.59489	0.5
72.04551	5.2
72.52679	0.4
77.83073	0.5
82.02983	100.0
91.05523	11.7
98.02484	11.0
100.04045	64.3
132.13181	0.6
176.10800	2.5
202.08763	24.5
220.09825	0.9
229.48405	0.6
248.09300	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87015	0.4
71.01376	7.4
72.99308	2.6
75.00867	2.0
78.97118	0.4
87.00843	0.6
89.02431	1.8
90.04205	0.4
115.00361	40.1
120.08796	0.5
120.35143	0.5
133.01427	100.0
159.41588	0.5
173.04532	3.6
204.04378	0.6
233.61699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03412	0.2
59.01371	0.2
71.01379	7.6
72.02982	0.2
72.93375	0.2
72.99300	2.1
75.00863	0.4
87.00871	1.0
89.02438	1.6
91.64115	0.2
93.03459	1.0
106.52294	0.2
111.04517	0.2
115.00364	37.2
133.01428	100.0
143.01518	0.2
145.81274	0.2
156.27057	0.2
173.04553	1.6
185.04623	0.2
190.02696	0.2
205.05019	0.3
223.85979	0.2
240.81152	0.2
249.06071	0.3
249.18661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76774	0.4
55.53994	0.5
59.01385	0.4
71.01378	8.7
72.99306	2.1
75.00883	4.4
79.62724	0.4
87.00855	0.6
89.02421	1.0
90.17593	0.4
93.03462	0.7
109.02990	0.4
115.00365	37.6
133.01431	100.0
155.03542	0.5
161.64758	0.5
173.04568	3.3
184.31673	0.4
205.05055	0.8
249.00539	0.4
249.18730	0.5
258.65561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44169	0.3
53.79666	0.3
59.01366	0.4
71.01376	8.5
72.99298	2.0
75.00848	0.6
87.00867	0.5
89.02444	0.9
115.00358	39.7
116.37537	0.3
133.01425	100.0
147.39558	0.3
158.08388	0.3
161.06010	0.5
173.04564	0.7
175.92953	0.3
222.41533	0.4
231.05139	0.6
249.08076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.0
72.99290	20.8
73.02939	2.6
81.03473	8.7
83.01379	2.3
83.05004	13.5
93.03446	3.5
97.02939	26.3
109.02946	32.8
111.04506	29.4
115.03986	7.9
121.45087	1.6
127.03990	40.9
129.05571	3.2
133.01382	2.2
137.02396	2.3
141.05545	13.1
155.03500	42.0
159.02940	2.4
169.05043	2.7
171.02989	2.7
185.04552	80.5
187.06075	8.5
199.02483	35.8
203.05638	15.3
217.03555	28.2
231.05086	100.0
249.06093	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
58.67867	0.4
67.05545	0.9
69.03459	1.2
71.01378	1.0
72.98885	1.0
72.99300	28.3
73.02952	4.0
75.00862	0.5
81.03453	7.8
83.01389	5.9
83.05021	13.2
85.02994	0.6
87.00857	0.9
87.04508	0.5
93.03457	4.3
97.02938	33.4
100.48326	0.5
101.02419	0.5
106.64234	0.5
108.02166	2.2
109.02945	35.9
111.04505	30.5
111.05273	1.0
113.02406	0.5
115.04025	3.9
117.91253	0.5
123.04469	1.0
123.13452	0.5
125.02410	1.1
125.06076	2.6
127.04005	37.4
129.05576	3.4
137.02422	4.2
141.05583	17.1
153.01939	1.1
155.03499	46.7
157.05203	0.6
159.02998	4.6
169.05040	5.2
171.02968	2.4
185.04558	100.0
187.06129	9.1
189.04062	0.8
199.02492	40.1
203.05637	17.0
213.04019	0.7
217.03542	24.5
231.05103	99.4
249.06160	20.9
261.57251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01393	0.9
69.03444	0.7
69.73396	0.8
71.01370	0.9
72.99303	27.4
73.02943	4.7
74.50137	0.6
81.03447	6.2
83.01389	6.4
83.05027	10.7
85.02926	0.9
93.03446	3.3
97.02938	32.0
105.30337	0.8
108.02162	1.8
109.02945	34.6
111.04508	33.7
115.04009	4.0
122.47620	0.9
123.04433	1.1
125.02426	1.6
125.06081	1.5
127.04008	41.7
129.05585	4.3
137.02452	3.5
141.05580	16.1
153.01910	1.7
155.03506	47.5
159.02995	4.3
164.62642	0.8
169.05067	3.7
171.02998	3.5
185.04558	100.0
187.06081	8.3
199.02498	38.4
203.05649	15.1
217.03528	23.3
231.05116	99.4
249.00821	1.3
249.06187	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45353	1.1
52.07633	1.1
61.92830	1.4
65.57655	1.3
72.99309	22.5
73.02911	4.3
81.03469	6.0
83.01390	3.0
83.05025	13.0
93.03447	2.5
97.02941	32.0
108.02167	2.8
109.02941	36.3
111.04514	31.6
113.02445	1.3
115.03970	5.4
119.82662	1.5
127.03997	39.0
129.05528	2.9
137.02417	2.1
141.05573	18.4
153.01868	1.9
155.03510	49.1
159.03076	1.9
169.05113	3.1
185.04553	100.0
187.06088	7.3
199.02507	42.5
203.05652	15.2
217.03516	21.1
222.67625	1.4
231.05109	92.3
249.06149	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77043	1.2
51.08187	1.3
51.35377	1.3
54.96655	1.4
67.05584	1.5
69.02484	1.5
72.99302	29.1
73.02956	2.4
73.25858	1.4
81.03456	7.3
82.02962	2.2
83.01385	2.6
83.05013	12.8
85.02972	2.3
89.81633	1.5
93.03487	1.9
97.02948	29.0
100.04049	3.3
109.02943	35.6
111.04502	33.8
115.04010	7.2
125.06058	2.1
127.04005	42.4
129.05539	3.6
137.02400	2.7
141.05585	17.8
147.08167	10.5
155.03505	47.8
159.03017	2.8
169.05090	3.7
185.04562	100.0
187.06090	7.2
198.59082	1.6
199.02487	40.9
199.78244	1.8
203.05623	16.2
217.03481	23.5
231.05106	96.3
249.06055	14.9
249.18747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0771
Annotation	azanigerone E
Peak:m/z	Relative Intensity
54.97442	1.4
68.88963	1.4
72.95043	1.4
106.30165	1.8
116.41320	1.5
117.03460	3.9
121.73161	1.6
141.68333	1.6
151.04054	2.5
159.04552	2.8
161.02455	6.1
161.06018	1.8
162.03256	31.6
164.04613	1.8
165.31572	1.4
173.02428	2.5
177.05591	19.2
178.06401	1.7
179.03510	27.6
180.04279	82.2
187.04012	8.0
188.04793	20.2
189.05629	2.8
194.05899	7.5
195.04829	2.9
195.06642	88.6
203.07199	3.3
205.05074	63.3
206.05861	57.5
221.08162	17.5
234.05356	51.2
249.05138	3.6
249.07716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1246
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
50.64896	0.8
56.69004	0.8
57.76598	1.0
58.02973	2.1
63.02152	0.9
65.06873	1.0
74.02462	7.9
81.15204	0.9
82.02976	1.5
84.04559	7.8
86.02480	2.4
91.05536	10.4
92.23096	1.7
98.02454	1.4
99.05640	5.9
101.07217	4.9
109.04070	11.4
114.85124	1.0
116.03525	1.2
127.05133	73.1
128.03532	13.6
141.41193	1.1
145.06274	0.9
148.25908	1.1
185.04607	1.5
186.37381	1.0
200.17552	1.1
203.11938	1.5
205.13487	2.0
231.11365	8.0
243.75076	1.2
249.12466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
52.81118	1.9
55.42121	1.8
59.01374	8.1
64.13046	1.6
65.54313	1.7
69.03460	24.2
74.93938	1.8
82.82255	2.3
95.05064	2.2
115.72179	1.8
164.08322	1.7
167.10744	3.5
193.12396	8.6
194.71906	2.2
197.42755	2.0
205.12344	8.7
205.16037	8.9
209.29268	1.9
221.15543	18.0
231.13927	29.5
245.12666	1.8
249.14960	100.0
249.17725	3.3
249.18681	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
57.03444	3.4
59.01380	1.0
67.03402	0.7
83.05049	1.0
87.82086	0.9
97.06581	1.5
106.04244	1.4
107.05060	0.9
109.06579	3.8
111.08144	1.5
121.10215	1.9
123.08166	2.1
137.09737	1.5
145.99377	1.0
187.14920	6.3
205.16031	10.7
231.13939	1.4
249.14970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
51.23946	0.7
60.17994	0.7
70.00786	0.7
81.07084	3.4
83.05048	1.0
85.51809	0.7
94.43374	0.8
112.09789	0.8
134.93182	0.8
145.66629	0.8
171.11719	1.2
187.13277	0.9
187.14944	27.2
205.16010	1.3
234.16891	0.9
243.40839	0.8
249.14972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83726	0.5
59.01372	3.0
60.53121	0.6
79.44704	0.6
96.67814	0.7
111.75640	0.7
128.01030	0.7
143.72121	0.8
152.32259	0.6
164.50996	0.7
205.19562	0.8
231.17574	1.0
249.18599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1862
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01381	3.4
66.41083	0.7
71.01376	0.7
82.02076	0.7
91.04313	0.8
92.17906	0.7
205.19545	1.0
231.17596	1.4
245.75917	0.7
249.14949	8.6
249.18622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13677	1.4
56.89922	1.8
59.01388	17.7
60.26165	1.4
76.34982	1.5
86.37885	1.8
94.85648	1.7
145.02121	1.9
177.16356	1.8
205.19643	3.5
234.22740	1.8
249.18626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91043	0.4
55.79725	0.4
64.20751	0.4
85.02943	64.9
91.54376	0.5
97.34406	0.5
118.97385	0.5
119.14257	0.5
120.01236	20.9
129.01938	100.0
140.44621	0.5
162.06735	0.5
163.00754	1.1
193.93394	0.5
250.03900	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
63.62260	4.2
65.16100	4.0
70.14765	4.6
75.21638	4.2
75.44073	4.0
91.05530	37.1
102.06809	4.7
118.06626	98.7
136.89728	5.3
146.06117	73.8
147.04550	9.4
160.54370	4.6
166.23068	4.7
169.31314	5.0
171.51962	4.6
178.66241	4.8
190.05112	50.5
204.83279	6.2
206.08292	7.1
232.20586	6.1
250.05060	16.4
250.07249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
50.37676	0.3
55.79080	0.3
68.41502	0.3
113.24606	0.3
134.09764	4.5
146.06110	0.4
147.06883	5.5
161.04861	0.4
162.05702	2.7
162.09247	100.0
165.84938	0.3
179.05853	0.7
197.69119	0.4
200.49570	0.4
206.08232	37.3
250.07225	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56467	0.7
59.75680	0.7
59.87614	1.0
63.38989	0.8
71.01382	3.7
88.04038	64.7
91.05547	5.4
92.58073	1.0
103.38749	0.8
114.01948	3.8
115.00381	14.0
132.03027	100.0
134.06113	1.6
135.04512	3.4
157.73386	1.0
186.04927	1.0
206.08249	5.0
247.45892	0.9
250.07195	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0723
Annotation	4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Peak:m/z	Relative Intensity
50.68580	0.6
53.41642	0.7
55.08146	0.7
82.02979	21.6
85.02937	3.3
86.47839	0.9
91.05522	1.3
100.04037	33.1
129.01947	2.9
131.03737	3.1
131.25018	0.7
133.05363	1.0
146.06136	1.7
147.06992	0.9
158.02441	3.0
159.03265	4.4
160.04019	9.0
161.04846	1.2
162.05612	0.9
186.01993	10.4
188.03517	3.8
190.05119	18.6
191.05942	1.2
192.06685	1.8
204.03029	4.4
204.10312	4.5
206.08221	1.0
216.01187	0.7
218.04594	80.6
220.06143	1.5
232.09814	4.5
250.07211	100.0
250.10847	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1087
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
69.70638	0.9
69.72050	0.7
72.04550	1.0
82.02981	65.4
84.04565	0.9
85.02939	9.6
91.05544	1.9
91.54243	0.7
92.22469	0.8
100.04043	100.0
101.02444	3.3
102.05643	1.1
123.73545	0.8
128.03584	1.0
129.01950	9.1
133.04807	0.8
151.77879	0.8
181.12573	0.9
204.10315	14.0
232.09792	14.3
237.88031	0.8
242.26295	0.8
250.10869	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0562
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
52.74093	0.9
72.99301	6.2
82.95776	0.9
89.83553	1.1
90.42152	1.1
115.05540	1.4
118.96921	1.2
131.05025	39.6
133.06584	6.6
143.05008	5.4
146.03745	14.3
161.06042	10.4
162.03206	6.3
163.04027	7.2
177.05553	7.4
178.02728	7.0
189.05545	6.5
190.02730	19.5
191.03506	12.6
192.04297	99.5
194.53520	1.1
205.05072	100.0
207.06665	24.2
233.04567	32.7
251.02504	1.2
251.05600	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0562
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
51.74120	1.2
52.29254	1.3
53.88317	1.2
72.99300	1.9
79.56339	1.5
81.16203	1.6
81.44553	1.5
85.69477	1.5
88.04031	2.4
96.95992	2.1
110.68943	1.6
119.05033	1.5
123.92307	1.5
125.85887	1.7
131.05016	40.4
133.06551	6.7
143.05069	2.3
146.03729	10.1
161.06090	12.2
162.03191	8.5
163.03979	5.9
175.03999	2.0
177.05559	6.7
177.09174	2.1
178.02689	7.8
189.05537	7.2
190.02710	16.0
191.03596	12.2
192.04300	90.2
205.05074	100.0
207.06639	26.9
233.04559	37.0
251.05673	49.7
251.09349	5.8
251.12906	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03520	0.6
66.36466	0.7
79.92461	0.6
79.95738	20.0
79.96181	0.9
80.96508	2.7
81.85532	0.6
88.40916	0.8
94.02960	1.1
94.98338	0.6
96.96017	7.8
110.46489	0.6
127.11247	1.0
134.25681	0.6
142.06052	0.7
151.17226	0.6
171.10275	100.0
187.09795	0.8
223.13419	0.8
251.05960	64.1
251.12793	5.2
251.16608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	48.9
71.01377	43.9
71.01780	1.2
72.99289	1.2
73.02946	1.0
77.00662	4.2
85.02947	9.5
87.00856	2.5
89.02435	100.0
92.23061	1.4
101.02437	19.0
103.04031	1.2
113.02458	13.4
113.28574	0.9
119.03488	14.8
129.01891	1.8
130.02283	1.2
131.03487	4.1
135.06583	1.1
145.03273	2.4
161.04561	1.5
163.04352	10.5
179.05641	2.3
226.83942	1.0
237.36259	1.2
251.07774	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0926
Annotation	Dihydrocitrinin
Peak:m/z	Relative Intensity
50.10683	0.9
52.32660	0.8
56.68929	0.8
57.03479	0.8
59.01367	1.8
75.27277	0.9
78.52614	1.0
88.53799	0.9
95.05009	0.9
98.14384	1.0
116.64005	0.9
122.03943	0.9
147.08118	1.5
161.09726	13.8
163.11293	57.4
171.10214	1.1
179.07167	1.8
189.09233	2.2
207.10287	100.0
223.01749	0.9
225.11375	1.7
233.11914	1.1
251.05524	1.8
251.09280	67.0
251.12892	3.6
251.16519	2.3
256.32932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0926
Annotation	2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.50360	1.0
52.48127	0.9
57.73834	0.8
58.77222	0.9
67.68896	1.0
96.78172	0.8
100.81666	0.9
113.71558	1.0
137.02414	4.7
149.40750	0.8
149.67772	1.0
153.05650	0.9
163.03952	2.1
166.06311	1.3
181.05080	16.1
182.05855	100.0
192.63493	0.9
196.07410	1.7
197.08208	86.9
207.06633	23.9
208.07420	69.1
223.09764	21.7
236.06905	22.8
239.62096	1.0
251.09264	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.8
57.03447	3.1
59.01383	98.3
64.14458	1.9
67.24466	1.9
71.01379	100.0
72.99298	3.7
73.02948	31.5
74.99085	2.0
75.00858	3.0
76.90692	2.0
79.33624	2.0
83.01375	22.4
85.02944	65.0
86.03285	9.7
89.02439	43.7
91.17645	2.0
95.01379	8.8
99.00862	10.8
101.02435	98.5
101.43291	2.1
113.02447	51.0
113.49308	2.1
119.03502	12.9
120.01227	4.5
121.01630	2.7
129.01959	20.3
130.02293	16.6
131.03473	3.1
159.02977	8.9
161.04559	45.2
163.04353	11.4
213.20137	2.8
251.03943	4.8
251.07845	23.3
251.11430	32.8
257.08026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.129
Annotation	[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
Peak:m/z	Relative Intensity
53.24190	1.0
57.03448	25.3
59.01377	4.7
66.01431	0.9
79.95728	0.9
81.03423	1.3
83.05020	5.1
90.21862	1.0
95.05021	27.9
97.06577	5.6
100.28975	1.0
109.06590	4.1
111.08162	17.9
124.05322	1.3
125.79421	1.2
129.54181	1.1
133.14864	1.2
149.09712	44.4
163.56720	1.3
165.12834	11.5
171.10277	9.8
189.12895	4.3
191.10747	1.4
193.08676	20.2
203.91594	1.4
209.11845	100.0
251.05888	4.9
251.12897	39.4
251.16591	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43165	0.7
70.02968	8.2
79.73740	0.8
81.88180	0.9
85.31384	0.8
96.95957	1.0
96.97707	0.8
114.01965	21.5
120.96031	1.6
136.11317	100.0
141.74734	0.8
146.13266	0.8
187.83737	1.1
207.15050	53.2
251.09598	3.5
251.14081	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01379	1.4
61.54142	0.6
69.04702	0.6
71.05009	22.6
83.05056	0.8
87.84150	0.7
92.34576	0.7
96.01192	0.6
97.06588	0.9
110.39890	0.8
118.21211	0.7
167.10764	1.8
179.10779	3.3
188.42995	0.8
195.13893	3.2
207.17502	2.9
226.01382	0.9
251.16531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01554	1.3
91.57215	1.2
97.18637	1.4
102.64983	1.3
120.63957	1.7
123.06818	1.5
195.13895	5.5
223.17090	13.5
233.15486	7.7
251.16525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01375	0.9
76.61612	0.4
92.01198	0.5
107.14849	0.4
124.41916	0.5
154.22466	0.5
232.12029	0.5
233.19125	1.0
247.51059	0.5
251.20181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0514
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
71.01389	5.6
74.54225	0.5
75.96288	0.5
81.41902	0.5
88.04036	2.2
93.03453	7.6
93.74660	0.5
95.61343	0.5
112.99715	0.6
115.00361	13.6
118.02971	6.4
119.57880	0.6
132.03004	3.6
136.04039	100.0
137.02448	6.3
139.26321	0.5
146.06093	2.2
164.07181	8.3
208.06152	8.4
234.04128	1.2
252.05154	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46793	0.5
60.13637	0.5
70.39211	0.5
71.01379	5.6
84.47869	0.6
88.04045	2.3
93.03460	7.6
115.00369	13.3
118.03020	6.9
120.49901	0.5
128.38068	0.6
132.03027	3.5
136.04047	100.0
137.02443	6.7
146.06136	2.8
163.08311	0.5
164.07181	8.0
208.06169	8.3
234.04163	1.2
252.05150	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0516
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
58.98398	0.4
62.83030	0.4
63.78706	0.4
64.65031	0.4
71.01387	6.2
76.18668	0.4
88.04054	0.7
91.77872	0.5
93.03442	7.0
95.75076	0.4
115.00359	12.9
118.02993	6.7
124.58173	0.5
132.03058	4.1
136.04048	100.0
137.02435	7.0
139.96938	0.5
146.06149	2.2
164.07210	8.4
190.05196	0.7
208.06203	6.7
234.04292	1.5
252.05164	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0515
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
56.24337	0.2
60.81108	0.2
68.93067	0.2
71.01373	5.9
71.01729	0.3
74.42341	0.2
88.04027	1.9
93.03456	8.3
101.11718	0.3
114.01949	0.4
115.00363	13.0
118.02981	5.6
121.02962	0.5
132.03062	3.4
136.04041	100.0
136.47583	0.2
137.02437	7.0
146.06117	2.4
154.24629	0.2
164.07179	8.4
180.06624	1.0
190.05121	0.5
193.54274	0.2
208.06165	6.5
234.04070	1.4
252.05151	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78365	0.6
55.35839	0.5
70.06015	0.6
71.01378	6.0
88.04028	1.4
93.03453	7.4
115.00339	11.2
118.02975	5.8
121.02972	0.8
132.03058	5.1
136.04041	100.0
137.02420	6.9
146.06097	2.7
164.07144	10.2
208.06187	7.4
234.04091	0.9
252.05144	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05009	17.2
96.96004	91.8
129.05562	3.5
136.03983	0.9
163.68684	1.0
172.09790	22.5
181.01747	1.6
252.05490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81440	0.2
59.01390	0.3
66.64729	0.3
67.54711	0.3
70.60043	0.3
72.00900	5.1
74.02470	0.4
74.87598	0.3
88.04041	1.8
93.03445	4.6
106.04238	1.4
119.04173	0.5
119.05015	12.6
128.40208	0.4
134.06094	0.6
136.07678	0.5
148.07692	0.4
162.05678	0.5
163.04015	25.0
164.07137	0.4
180.06676	100.0
208.09807	1.1
223.11301	0.3
252.08896	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53257	1.3
53.80013	1.3
55.47140	1.4
66.13814	1.5
66.23972	1.5
71.36197	1.4
71.45232	1.6
75.13786	1.5
76.69054	1.6
89.78414	1.5
95.67621	1.7
198.55487	1.8
227.22249	1.8
252.20544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57564	1.0
59.01380	8.5
72.99319	2.7
74.99088	9.3
78.95901	39.8
101.02488	2.3
103.02232	1.5
107.55772	1.2
120.95466	28.2
122.06760	1.1
133.01407	5.0
136.48938	1.4
136.93997	2.6
136.94969	36.7
136.99178	11.5
147.09863	1.4
162.96527	11.4
163.02449	1.4
164.94437	12.4
178.96065	30.4
184.18568	1.5
190.96034	1.5
192.93991	100.0
206.95523	8.4
210.95029	25.7
234.94969	23.4
235.44905	1.2
252.47293	1.3
252.95969	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86715	0.3
54.38370	0.3
57.22303	0.3
59.01384	3.5
70.39160	0.3
74.99081	1.5
78.95902	59.6
80.32992	0.3
92.22568	0.5
93.03444	2.5
93.43854	0.4
94.02988	1.5
96.96955	100.0
103.66231	0.4
111.04492	3.4
136.99117	0.6
137.02455	0.7
155.03555	2.4
189.85800	0.4
195.02147	0.4
209.02274	0.8
234.92529	0.4
235.00143	1.9
253.01208	20.4
253.21803	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.012
Annotation	Valienone 7-phosphate
Peak:m/z	Relative Intensity
59.01382	2.5
74.99087	1.0
78.95905	46.2
80.03386	0.4
93.03445	2.2
94.02971	0.7
96.96959	100.0
103.02258	0.4
111.04507	2.7
132.52553	0.5
134.05109	0.4
136.99149	1.9
138.78036	0.4
147.30740	0.4
155.03516	2.6
158.84671	0.4
192.39018	0.5
209.02272	0.5
225.82626	0.4
235.00133	0.8
253.01218	18.9
253.03914	0.7
253.21825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
61.38930	0.5
61.39443	0.5
72.99306	0.8
73.01141	0.7
74.99091	98.1
78.77195	0.5
87.00839	0.7
103.02231	19.2
114.77069	0.6
115.03983	1.0
136.99144	100.0
146.72752	0.6
165.02272	2.5
191.03836	1.3
193.07179	2.9
253.03906	9.3
253.21669	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.20869	0.5
74.99093	100.0
78.95911	12.9
80.17088	0.5
80.47839	0.6
83.25925	0.5
92.22453	1.0
96.96956	27.8
98.17883	0.5
101.02426	0.8
103.02232	18.5
111.04550	0.8
115.03988	1.1
136.99144	96.9
147.01274	0.6
151.02742	2.6
161.02374	0.8
165.02271	3.0
191.03889	2.3
193.07237	1.1
225.65796	0.5
246.90956	0.5
253.01161	4.6
253.03873	7.9
253.06613	0.7
253.21761	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54277	0.3
55.17682	0.3
56.41453	0.3
56.98028	0.8
58.35907	0.3
59.01380	2.5
63.44749	0.4
72.99311	0.7
73.01188	0.8
73.98315	0.7
74.99093	100.0
78.95930	0.5
79.87400	0.4
87.00874	0.7
96.96983	2.0
103.02237	24.7
110.05204	0.4
115.04005	2.6
118.98090	0.6
136.99144	85.9
147.01199	1.0
157.56351	0.5
165.02231	4.6
191.03835	1.8
212.08501	0.5
253.01508	0.8
253.03877	9.5
253.21759	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65923	0.5
59.01390	7.9
60.40947	0.5
61.98837	3.5
67.28760	0.6
71.01399	1.3
73.01167	1.2
74.15012	0.5
74.88323	0.5
74.99097	100.0
77.54681	0.6
78.95904	8.2
81.42806	0.6
84.63198	0.5
85.02994	0.5
89.02461	1.2
96.96956	6.9
103.02235	17.1
113.33612	0.6
115.03999	2.3
117.55383	0.6
124.04012	3.5
133.49718	0.5
136.99152	90.7
137.06088	2.1
144.72038	0.5
147.01230	0.6
151.02834	0.9
151.04010	4.0
153.89803	0.5
165.02225	2.8
165.05516	1.3
191.03825	1.3
195.03021	0.6
209.04535	2.9
209.08180	1.3
235.00116	0.6
236.62129	0.6
253.01208	2.0
253.03821	9.1
253.06937	1.2
253.09338	0.9
253.21701	3.4
263.74844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84783	0.4
53.41772	0.4
59.01378	3.9
70.08574	0.4
72.99294	0.5
73.01163	1.0
73.98282	1.7
74.99094	100.0
78.95907	10.1
82.52245	0.4
87.00902	0.7
94.02987	2.2
96.96952	18.8
103.02234	23.0
104.57188	0.5
111.04544	0.6
115.03962	1.0
117.45065	0.5
118.98102	0.8
136.99147	96.8
147.01234	0.6
147.04698	0.6
148.19070	0.5
165.02290	3.1
178.02785	0.6
191.03830	1.1
194.05814	1.1
207.06670	2.8
218.54721	0.5
235.06180	0.7
253.01270	4.0
253.03984	10.5
253.07274	2.8
253.11298	0.5
253.21814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.3
70.05694	0.8
74.99095	33.7
89.02441	1.7
91.03998	1.6
103.02231	10.1
133.02937	9.4
134.03741	5.7
135.04532	48.6
136.99149	30.9
137.02438	1.4
161.02451	93.2
165.02248	1.6
179.03543	19.6
193.07162	1.0
207.58853	0.9
237.43225	1.0
253.07201	100.0
253.21716	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38596	0.3
59.01381	7.9
71.05833	0.3
79.95720	0.6
84.91173	0.3
85.38432	0.3
88.19843	0.3
92.23182	0.4
96.96001	100.0
127.11268	2.3
173.11809	10.5
181.03413	0.3
193.07150	3.7
236.44881	0.3
253.07515	24.8
253.21756	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
51.99120	0.6
57.03445	5.1
59.01383	9.3
59.47482	0.6
60.17613	0.6
69.03449	19.3
75.28800	0.7
79.95741	0.8
83.05037	0.8
93.03448	1.1
105.07092	8.2
113.02455	0.9
121.10234	8.6
122.97561	8.5
137.02434	4.6
137.03404	0.9
137.09711	0.8
191.14403	1.6
209.07201	0.7
209.15477	3.5
250.01920	0.7
253.07393	4.0
253.14473	100.0
253.21709	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1446
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
57.03450	45.7
59.01380	9.1
59.91073	0.6
60.34716	0.7
69.03450	16.1
69.87720	0.8
71.88503	0.7
73.40163	0.8
79.79746	0.9
83.05016	16.2
83.64837	0.9
84.62903	0.8
85.94669	1.0
97.06553	1.2
104.92604	0.9
105.07089	7.2
114.03220	0.9
121.10218	8.4
123.08119	5.6
133.75659	0.8
137.09723	1.3
137.31874	0.8
139.11320	6.2
191.14424	2.0
209.15479	33.4
228.50665	0.9
253.14467	100.0
253.21698	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.181
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
53.74024	0.8
54.52777	0.9
59.01384	12.4
69.62607	1.1
90.76888	0.9
99.90719	0.9
115.39566	1.0
161.04491	1.4
171.10268	49.0
193.07147	1.5
217.15857	1.6
235.17029	69.7
253.18105	100.0
253.21722	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1811
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
50.22834	0.6
55.63715	0.5
59.01381	18.1
76.95783	0.8
85.02938	0.7
106.92627	0.7
125.74351	0.6
161.04465	1.1
174.46411	0.7
193.07187	3.0
209.15356	0.9
209.19081	1.0
224.81198	0.7
253.18114	100.0
253.21758	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.181
Annotation	Chrysanthetriol
Peak:m/z	Relative Intensity
51.28506	0.5
51.45819	0.4
59.01382	16.8
65.90556	0.5
68.62333	0.6
71.04995	1.0
73.58025	0.7
96.15704	0.6
161.04559	1.1
171.10239	5.9
177.12868	0.7
179.14351	0.7
181.39043	0.6
193.07184	3.4
195.13908	25.5
233.50467	0.7
235.17020	30.7
238.03690	0.7
253.18098	100.0
253.21663	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01328	0.4
57.29172	0.4
59.01371	3.1
68.84577	0.4
79.00819	0.4
80.97746	0.5
88.17010	0.4
90.95142	0.4
143.84578	0.5
168.78008	0.5
193.07243	0.6
219.67688	0.5
243.67572	0.4
253.21742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.27567	0.4
50.82015	0.4
52.66542	0.4
55.17840	0.4
59.01372	2.2
66.34394	0.6
85.23703	0.4
99.89186	0.4
127.17368	0.5
145.27867	0.6
169.21661	0.5
179.85272	0.4
193.07176	0.7
242.67076	0.6
253.21739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26981	0.4
57.46694	0.4
60.05503	0.4
66.37017	0.4
85.75272	0.5
93.08305	0.4
97.04577	0.4
100.58465	0.4
102.51954	0.5
158.21742	0.5
160.37012	0.5
177.88600	0.5
187.10957	0.5
213.40948	0.5
223.81825	0.5
253.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29035	0.5
59.01376	5.0
65.15263	0.5
65.89188	0.4
72.56373	0.4
76.66882	0.6
79.04507	0.4
82.16734	0.5
88.80553	0.5
88.93343	0.4
92.22536	0.8
127.02161	0.6
166.22438	0.5
190.82802	0.6
239.47298	0.7
253.21745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23573	0.4
87.17317	0.5
97.93017	0.4
139.50226	0.5
253.21761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29665	0.4
56.80795	0.4
59.01374	1.0
93.61903	0.5
105.70586	0.5
235.20554	0.9
253.21753	100.0
271.23569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2175
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.61007	0.5
59.01389	5.0
62.18288	0.6
68.56657	0.6
73.54257	0.6
74.07646	0.6
74.54246	0.7
88.97344	0.7
105.09619	0.7
110.96656	0.6
253.21754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57735	0.4
57.03451	3.5
58.02972	3.1
59.01375	2.4
60.01682	0.8
62.84248	0.5
85.06600	1.1
92.23127	0.7
92.48652	0.6
97.00708	0.6
117.72706	0.6
121.49507	0.5
125.92682	0.5
193.15968	21.7
210.18687	1.2
236.13719	0.8
236.16544	2.7
237.12679	1.3
237.14983	28.4
237.17386	1.0
254.17633	100.0
254.21976	2.9
255.16031	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64656	1.1
97.05984	1.7
109.02933	2.6
120.02164	2.2
123.04472	3.4
130.06766	1.3
144.78450	1.5
148.01669	39.5
153.05569	47.6
163.04018	43.7
166.02742	6.1
181.05084	12.8
192.00648	2.3
196.03758	6.4
207.02956	12.4
210.01787	2.0
225.04062	100.0
255.05124	78.5
255.23270	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22970	0.5
61.70338	0.5
64.51190	0.6
64.55460	0.6
72.96301	0.6
93.15596	0.7
108.02163	1.0
109.02924	5.0
120.02157	3.1
123.04507	4.5
129.88762	0.6
130.25941	0.6
135.74991	0.6
136.01639	1.0
148.01660	47.4
149.01372	0.7
151.80069	0.7
153.01939	1.6
153.05573	49.0
163.04015	43.7
166.02711	8.0
167.03465	1.4
181.05060	15.1
192.00653	3.9
196.03812	4.9
198.94873	0.7
207.03014	14.7
210.01707	5.3
213.39546	0.6
224.07954	0.7
225.04059	100.0
240.02751	2.8
241.17360	0.6
255.05122	71.8
255.23314	69.8
255.26076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98415	0.4
67.05329	0.5
96.96009	0.8
102.75539	0.6
106.35335	0.6
107.05057	0.6
108.02158	2.5
109.02956	4.6
120.02148	2.6
121.02961	0.6
123.04503	3.5
138.03252	0.9
145.77116	0.5
148.01672	42.3
149.02460	0.6
153.01959	2.3
153.05573	51.2
163.04018	45.2
165.01915	0.8
166.02728	9.4
167.03497	1.4
179.03432	1.0
181.05096	15.9
192.00725	5.1
196.03838	4.8
207.03021	14.2
210.01691	5.1
211.06036	1.0
225.04070	100.0
240.02620	2.3
244.59618	0.7
255.05119	71.9
255.23318	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86625	1.0
55.62838	0.9
67.93269	1.0
68.79553	1.1
69.49471	1.0
71.34541	1.0
73.65081	1.2
92.22505	1.3
109.02948	2.6
114.96786	0.9
120.02181	1.8
123.04516	4.3
137.37653	1.1
148.01677	42.5
153.04410	2.1
153.05583	47.3
163.04010	41.8
166.02678	9.1
167.03598	1.0
181.05103	18.3
192.00664	2.3
196.03828	6.5
207.02994	14.7
210.01695	2.5
225.04070	100.0
240.02708	1.5
255.05124	79.8
255.23323	53.7
266.57791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15470	0.6
62.97685	0.7
69.61037	0.7
74.99095	0.8
108.02174	1.6
109.02943	3.9
120.02164	3.6
123.04491	3.6
131.09370	0.8
148.01666	46.4
149.02521	1.1
153.01878	0.9
153.05579	53.7
153.06833	1.8
161.93454	0.8
163.02628	1.7
163.04010	44.5
165.02005	0.9
166.02763	8.5
172.09419	0.9
181.05081	21.0
192.00652	4.4
196.03767	4.8
197.76233	0.8
198.82147	0.8
207.02992	14.3
210.01767	4.4
211.05968	1.0
225.04070	100.0
240.02730	1.4
255.05127	86.6
255.23311	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98415	0.4
67.05329	0.5
96.96009	0.8
102.75539	0.6
106.35335	0.6
107.05057	0.6
108.02158	2.5
109.02956	4.6
120.02148	2.6
121.02961	0.6
123.04503	3.5
138.03252	0.9
145.77116	0.5
148.01672	42.3
149.02460	0.6
153.01959	2.3
153.05573	51.2
163.04018	45.2
165.01915	0.8
166.02728	9.4
167.03497	1.4
179.03432	1.0
181.05096	15.9
192.00725	5.1
196.03838	4.8
207.03021	14.2
210.01691	5.1
211.06036	1.0
225.04070	100.0
240.02620	2.3
244.59618	0.7
255.05119	71.9
255.23318	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03410	0.4
50.07910	0.4
54.91771	0.4
58.55497	0.4
58.91700	0.5
59.01376	0.9
63.74649	0.4
70.02968	0.9
70.67526	0.5
71.01391	0.5
72.99297	0.7
75.69792	0.5
85.02936	3.5
110.02485	0.6
122.06094	2.7
125.03561	100.0
126.87002	0.6
129.01945	4.3
150.05615	2.3
151.85349	0.5
179.04552	0.7
193.06216	2.5
212.05673	0.8
223.05714	0.6
255.06259	23.7
255.23311	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.4
65.00330	2.4
78.13136	0.4
82.52795	0.4
83.01387	2.2
85.51854	0.4
96.60220	0.4
107.01395	4.2
119.19658	0.5
120.50803	0.4
121.54607	0.4
123.00875	0.5
125.02431	0.4
145.06590	2.8
151.00368	9.5
164.01178	1.0
169.06552	2.6
171.04486	3.7
185.06107	0.6
187.07629	2.0
211.07623	3.4
213.05589	9.5
217.07477	0.4
227.07372	0.5
255.06650	100.0
255.23352	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.124
Annotation	1',8-Dihydroaplysinopsin
Peak:m/z	Relative Intensity
55.88241	0.9
56.41135	1.0
58.82645	0.9
66.68615	0.8
69.03458	5.9
71.05007	2.0
100.72770	1.0
102.66876	1.0
105.42548	1.0
123.08147	12.6
135.11766	1.7
137.09668	2.2
161.09738	4.1
162.76805	1.1
165.50757	1.2
178.10043	1.1
179.10777	29.9
193.12430	1.4
211.13419	100.0
222.08989	1.3
246.84789	1.1
255.12430	58.3
255.15202	2.1
255.23309	34.1
261.81296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.5
69.22626	2.4
71.72122	2.3
78.95880	4.1
87.00876	2.8
91.21660	2.3
123.57648	2.6
181.06332	3.9
255.23312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67533	0.6
51.74413	0.7
54.96128	0.6
57.03424	0.6
57.78625	0.6
59.01351	0.5
60.43022	0.7
62.25153	0.6
63.21929	0.6
70.09625	0.7
72.02168	1.1
78.78586	0.6
80.98887	0.7
84.87610	0.6
114.38061	0.7
119.23898	0.6
156.46666	0.7
167.14410	4.2
183.13914	2.8
193.15999	1.3
195.13930	8.2
211.13460	0.9
213.15048	0.7
217.49388	0.7
237.14978	13.1
255.16057	100.0
255.23296	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15340	0.5
56.98109	0.6
59.01375	0.7
62.44020	0.5
64.35251	0.6
64.97442	0.6
72.02172	0.8
109.99558	0.7
115.47324	0.7
140.35547	0.8
167.14400	3.1
178.75806	0.6
183.13933	1.3
195.13885	5.9
237.14908	9.0
255.16063	57.9
255.19600	6.1
255.23318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52695	0.6
55.95002	0.7
57.03442	5.3
59.01366	1.1
60.00730	0.7
61.66214	0.8
73.82484	0.8
82.86621	0.8
85.06564	1.3
89.44559	0.7
99.08173	1.2
125.11696	0.7
125.42010	0.8
128.36693	0.9
183.13939	1.1
193.15988	53.6
195.13960	1.1
211.17033	3.7
237.14986	58.6
255.16045	100.0
255.23303	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1967
Annotation	Cadinane-4beta,5alpha,10beta-triol
Peak:m/z	Relative Intensity
59.01382	5.0
63.67991	1.0
64.92770	0.9
67.34945	0.9
71.01386	2.0
71.05028	14.2
80.27328	1.0
86.81075	1.3
87.04504	1.5
90.13103	1.1
115.04014	10.5
155.14412	31.2
163.80463	1.0
167.14381	2.4
181.15947	1.7
209.19069	6.2
237.18713	2.6
255.19675	91.9
255.23308	100.0
268.92944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2331
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
51.38627	0.5
89.20527	0.6
94.38863	0.6
112.23166	0.5
136.39391	0.5
138.50339	0.6
154.12611	0.6
159.82857	0.5
165.37202	0.6
181.16821	0.5
255.23308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.9
54.85070	0.5
57.03453	0.7
62.39759	0.6
66.03521	0.7
67.75832	0.6
69.03440	0.9
71.01397	0.6
75.00881	0.7
81.02200	1.2
82.02972	6.4
83.01389	10.0
84.02157	3.0
84.04540	11.9
85.02936	4.2
87.43999	0.6
90.27206	0.6
91.05747	0.6
94.02971	3.8
96.99525	0.6
97.01688	1.0
99.00889	6.4
109.35819	0.6
111.32168	0.7
112.03294	1.2
112.04043	30.2
115.73499	0.6
127.28150	0.6
156.03026	100.0
212.09387	1.2
256.04654	71.5
256.08258	4.8
256.23648	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83719	0.6
57.03451	1.2
66.03496	1.4
68.24315	0.8
71.01405	0.8
80.01396	0.9
81.02191	1.6
82.02984	5.5
83.01379	8.7
83.55618	0.8
84.02167	1.7
84.04572	7.7
85.02936	3.5
94.02966	3.8
97.01679	0.9
99.00880	6.3
112.04034	26.0
139.25072	0.9
156.03032	100.0
158.00905	0.8
210.07573	1.1
212.09352	3.5
212.12930	1.0
241.48241	0.8
256.04654	70.2
256.08203	6.6
256.23642	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85641	0.6
57.03439	1.6
66.03483	1.2
69.03438	0.7
71.13625	0.6
72.78167	0.7
75.00848	0.9
76.59890	0.9
81.02188	3.4
82.02979	6.4
83.01388	10.3
84.02158	1.3
84.04546	11.4
84.78587	0.7
85.02949	3.1
88.06332	0.7
94.02966	1.8
97.01659	1.4
98.02496	0.9
99.00862	7.4
111.50105	0.9
112.04037	30.5
125.92696	0.8
153.65825	0.8
156.03029	100.0
160.89935	0.7
212.09381	1.0
256.04654	73.3
256.07565	2.3
256.23703	11.3
257.52725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0829
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
51.20580	0.9
71.01379	3.1
72.04565	1.6
82.02995	18.8
83.66055	1.2
93.03432	3.0
97.02936	1.6
98.02498	16.0
98.06107	6.4
100.04046	11.3
105.03891	1.4
108.04572	1.8
110.02480	2.0
110.06129	1.7
111.04478	2.4
112.04039	2.4
112.07698	1.7
116.19456	1.2
121.06590	5.5
124.07686	2.2
126.05614	9.0
126.09234	12.6
128.03555	2.4
128.07202	15.2
137.59427	1.4
140.03604	2.1
140.07124	1.3
140.10835	6.2
142.01466	2.9
148.07677	8.7
150.09239	30.8
154.08736	5.8
156.03062	2.3
166.05153	1.3
166.08748	3.1
168.10291	5.4
184.09802	8.3
194.08206	2.4
196.00893	1.6
210.07730	28.3
212.09288	27.0
226.07285	1.8
228.08829	7.4
256.08301	100.0
256.23682	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44410	0.6
57.30500	0.6
64.62221	0.6
69.03427	0.9
72.04561	6.8
73.03387	0.9
77.07679	0.7
82.02985	24.3
83.01424	0.9
84.04549	1.2
87.40330	0.7
89.61581	0.7
92.22530	0.8
93.03454	7.0
97.26192	0.7
98.02474	18.4
98.06106	6.4
100.04050	14.3
110.02462	1.6
110.06113	3.1
111.04527	3.4
112.07653	0.8
113.06059	1.4
115.50835	0.9
122.53020	0.8
126.05589	7.5
126.09249	1.5
128.03525	3.6
128.07176	17.2
134.90985	0.7
140.07184	1.1
140.10803	6.8
145.78943	0.9
148.07689	6.9
150.09239	36.7
151.07632	0.9
152.03528	0.9
154.05069	1.3
154.08716	1.4
156.06776	0.9
166.08752	4.3
168.10324	5.5
184.09814	9.3
194.08353	1.0
204.72954	0.8
210.07755	25.2
212.09300	27.2
219.45627	0.8
228.08742	8.0
256.08295	100.0
256.23737	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0829
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
51.31848	0.8
57.21038	0.9
64.18087	1.2
67.06258	0.9
69.03445	1.4
72.04539	4.3
82.02985	28.8
83.01367	1.1
84.04552	2.4
87.45527	1.1
93.03455	9.1
98.02472	21.1
98.06089	10.1
100.04037	20.1
103.97537	1.1
104.48363	1.0
104.53355	1.3
105.82683	1.2
110.02486	1.6
111.04554	2.6
113.06107	1.2
126.05581	8.2
128.03548	2.4
128.07170	23.8
133.68768	1.0
140.10820	8.0
148.07698	11.2
150.09254	40.9
154.05075	2.3
166.08670	5.1
168.10306	6.9
184.09753	8.6
194.08208	1.8
210.07736	23.9
212.09305	25.9
220.44415	1.3
228.08835	8.0
256.08292	100.0
256.23663	16.8
260.70923	1.3
261.08179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44410	0.6
57.30500	0.6
64.62221	0.6
69.03427	0.9
72.04561	6.8
73.03387	0.9
77.07679	0.7
82.02985	24.3
83.01424	0.9
84.04549	1.2
87.40330	0.7
89.61581	0.7
92.22530	0.8
93.03454	7.0
97.26192	0.7
98.02474	18.4
98.06106	6.4
100.04050	14.3
110.02462	1.6
110.06113	3.1
111.04527	3.4
112.07653	0.8
113.06059	1.4
115.50835	0.9
122.53020	0.8
126.05589	7.5
126.09249	1.5
128.03525	3.6
128.07176	17.2
134.90985	0.7
140.07184	1.1
140.10803	6.8
145.78943	0.9
148.07689	6.9
150.09239	36.7
151.07632	0.9
152.03528	0.9
154.05069	1.3
154.08716	1.4
156.06776	0.9
166.08752	4.3
168.10324	5.5
184.09814	9.3
194.08353	1.0
204.72954	0.8
210.07755	25.2
212.09300	27.2
219.45627	0.8
228.08742	8.0
256.08295	100.0
256.23737	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0981
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
78.70435	0.6
91.05513	4.2
107.03768	2.9
108.04551	100.0
120.04559	8.3
123.57351	0.6
151.02745	7.2
152.03534	30.3
164.03555	8.6
212.10823	1.1
215.92499	0.6
256.09818	58.0
256.23657	15.0
257.88892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74747	0.5
55.60848	0.6
58.03854	0.8
59.44455	0.6
62.30524	0.6
74.51909	0.6
80.63244	0.7
90.94318	0.7
92.18437	0.6
94.51892	0.7
145.92984	0.7
167.14403	49.5
184.17029	0.9
210.14984	5.2
211.13403	80.6
212.62811	0.7
220.11212	0.8
228.16040	100.0
229.14429	29.7
232.07738	0.8
256.15598	26.8
256.18112	1.7
256.23636	20.5
267.43744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21625	1.0
57.03443	4.3
57.68546	1.1
58.02965	2.4
63.65479	0.9
66.55807	1.0
67.10342	1.1
72.35307	1.1
73.49153	1.1
109.02968	9.1
112.33907	1.0
118.02960	2.6
125.09711	9.8
153.12837	22.5
167.14459	1.2
184.17038	1.9
194.15514	17.3
195.13968	1.9
197.18993	1.3
210.15044	2.4
212.12968	6.3
212.16574	45.2
228.06633	7.3
256.06161	5.7
256.15570	100.0
256.23633	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12848	0.5
57.61135	0.5
61.32990	0.7
62.62501	0.5
65.54690	0.6
65.80852	0.6
66.90028	0.6
67.51685	0.6
84.04534	10.7
92.80278	0.7
102.05603	100.0
104.35355	0.7
122.99341	0.6
125.09708	5.6
127.11287	8.0
140.07181	8.7
141.55836	0.7
152.10803	18.6
153.09195	9.7
169.20599	0.8
170.11897	0.9
212.16556	4.4
256.15561	71.4
256.23630	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	2.2
71.05022	6.3
83.20504	0.5
91.23331	0.4
98.88267	0.4
99.00861	0.7
106.47293	0.4
110.38784	0.4
115.00661	0.4
118.80335	0.5
128.10802	0.4
139.11296	20.0
153.75716	0.4
187.83752	0.5
194.15511	9.2
195.13930	2.7
212.16571	20.7
221.11783	4.9
238.14496	11.4
239.12874	9.4
241.05119	0.8
256.15567	100.0
256.23630	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71067	0.6
71.05007	1.0
81.73415	0.6
84.04534	10.8
86.07127	0.6
102.05600	100.0
112.07675	1.3
123.68583	0.6
125.09724	5.8
127.11276	7.6
140.07193	8.6
152.10805	22.1
153.09210	10.0
170.11688	0.7
194.56911	0.7
198.14043	0.6
212.16599	5.6
256.15558	71.3
256.23611	11.4
268.01410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1921
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
65.50368	0.7
75.29126	0.6
112.33221	0.6
153.96817	0.7
195.17575	38.9
212.20290	1.3
238.18156	8.9
239.16548	45.9
256.19220	100.0
256.23386	20.1
257.17609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21715	0.4
62.35220	0.4
80.96577	0.4
81.17828	0.4
92.96772	0.4
97.57762	0.4
113.90191	0.4
168.41435	0.4
256.23657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31246	1.0
50.98719	1.0
54.31025	1.0
57.03440	1.3
58.02982	13.3
84.04541	33.4
86.02477	15.8
92.05049	8.8
108.22756	1.1
116.05057	14.5
118.08815	1.3
125.09686	1.3
130.06650	1.6
142.06625	56.9
142.08702	18.8
143.06149	1.6
144.08223	5.2
154.06596	13.0
169.07713	5.1
170.08549	1.6
170.11819	6.0
171.09274	46.0
211.08641	2.3
213.10382	72.4
213.12416	11.1
215.08276	100.0
227.07234	2.8
236.71507	1.3
250.19342	1.3
257.09390	43.1
257.23932	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39431	0.8
57.03465	1.2
62.05498	0.7
65.34538	0.7
69.03445	1.4
78.37247	0.7
82.84605	0.7
83.05095	0.7
88.89275	0.8
92.04750	0.8
97.06579	5.1
121.54094	0.8
123.52557	0.9
138.03233	1.6
151.11284	37.6
166.02768	1.3
169.12346	100.0
177.09164	1.3
195.10309	4.1
213.11342	42.2
226.93065	0.8
257.08182	2.6
257.10345	11.7
257.13400	1.3
257.23920	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1032
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
51.66436	0.3
57.03450	0.7
64.00490	0.5
69.03444	0.7
71.70442	0.4
83.05032	0.6
97.06580	3.5
137.09831	0.5
151.11281	36.2
167.10736	0.6
169.12344	100.0
177.09248	1.1
195.10294	3.5
213.11343	40.2
239.09294	1.2
257.10358	11.9
257.13324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36548	0.6
59.01373	1.9
60.15750	0.7
61.09159	0.6
69.03445	1.0
71.01373	1.0
85.02945	5.5
106.79276	0.7
110.40334	0.7
125.09719	0.8
131.39307	0.9
135.99319	0.8
156.98579	0.9
169.12376	1.4
171.10278	15.3
177.12820	3.7
186.10693	0.8
195.13918	79.1
197.11870	1.9
201.11333	0.8
213.14978	36.4
216.17929	0.8
221.11928	3.2
239.12923	11.5
257.13968	100.0
257.23898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55405	0.6
55.06860	0.7
59.01382	7.1
71.04998	1.2
82.49773	0.8
87.69686	0.7
92.22525	1.5
110.98444	0.7
153.12860	3.3
164.70450	0.7
166.61743	0.7
167.14461	0.9
169.12373	4.1
177.12866	3.3
182.71658	1.0
195.13911	23.6
197.11847	35.4
213.14995	26.1
221.11835	21.4
239.11055	1.2
239.12898	55.6
257.13965	100.0
257.24078	4.0
267.58176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47837	0.5
59.01349	0.6
60.11278	0.5
72.17488	0.6
72.99306	11.4
73.90833	0.6
82.71194	0.5
84.31978	0.6
91.34336	0.7
92.23038	0.9
94.83969	0.6
95.52048	0.6
115.67560	0.7
120.55706	0.6
169.21538	0.7
177.12865	1.5
183.13965	3.1
195.13916	50.9
203.10805	0.7
211.13419	17.0
213.15019	2.9
221.11801	6.0
232.27701	0.7
239.12936	7.2
257.13974	100.0
257.24014	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30601	0.5
55.58240	0.6
57.03454	0.9
64.32435	0.7
71.05014	4.0
71.93710	0.6
75.37861	0.6
83.82933	0.8
97.02968	0.9
97.06563	7.2
98.16425	0.6
99.00880	20.5
101.59449	0.8
123.08157	3.8
125.09710	100.0
153.02832	0.8
163.11267	3.6
181.12349	11.7
197.11829	1.1
207.10255	23.8
224.12289	0.7
225.11330	60.0
239.12964	1.7
257.13956	39.0
257.24005	1.8
266.03592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.7
62.70351	1.1
73.62205	1.0
89.38210	1.2
94.14941	1.3
97.19120	1.2
99.21462	1.2
101.02433	1.1
101.19678	1.4
102.12108	1.1
111.61116	1.2
142.24501	1.2
167.58865	1.3
169.12384	1.7
181.30702	1.2
184.70871	1.1
195.13916	16.5
197.11844	38.3
199.13417	100.0
211.13419	60.4
215.13055	1.5
221.11926	5.8
239.12888	19.6
251.30203	1.3
257.13968	86.1
257.23795	4.4
266.78726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1759
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
54.05763	0.5
59.48851	0.6
74.99335	0.6
111.70730	0.6
167.14386	0.8
211.17039	1.3
213.14972	10.7
227.16431	0.9
239.16573	10.3
240.90358	0.7
255.16074	5.0
257.17618	100.0
267.45303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.11765	0.6
55.13411	0.4
57.44822	0.5
58.04744	0.4
61.88118	0.5
69.98193	0.4
75.73372	0.5
87.70940	0.5
89.02715	0.5
91.25172	0.5
139.66904	0.5
195.17551	50.2
213.18520	1.1
214.52415	0.6
239.16536	64.7
244.82835	0.5
257.17603	100.0
257.23593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85983	0.4
55.42175	0.5
57.99152	0.5
87.91780	0.5
92.10318	0.5
119.10937	0.6
135.88855	0.5
209.19029	2.3
211.20691	77.4
239.20189	1.1
257.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2124
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.93108	0.5
62.27816	0.4
62.57340	0.5
62.99293	0.5
63.75581	0.5
128.74240	0.7
160.22783	0.6
209.19164	3.0
211.20694	84.3
239.20221	1.1
257.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69621	0.9
59.01383	100.0
93.29632	0.9
93.96050	1.1
98.13747	1.2
211.20743	2.5
257.21265	75.7
257.23846	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2125
Annotation	15-Hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
52.35285	1.1
59.01383	100.0
68.95570	0.9
69.69831	1.1
82.43286	1.0
112.44547	1.1
146.70845	1.2
211.20663	2.1
231.17424	1.2
257.21252	77.0
257.23788	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27333	2.0
56.31630	2.2
56.90580	2.3
81.34657	2.3
98.99870	2.6
143.05699	3.0
163.52242	2.5
197.80202	2.7
211.20703	3.1
213.70667	2.9
249.00948	2.7
257.22784	100.0
261.58112	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50311	0.4
58.25431	0.4
62.95189	0.3
67.04839	0.4
69.03457	0.5
71.05035	0.4
72.04542	1.6
82.02568	0.4
82.02968	3.6
84.04554	0.6
86.06120	2.2
94.02985	5.1
96.04534	5.4
98.02450	2.1
99.00829	0.5
112.04013	1.8
116.55241	0.4
123.03301	0.7
124.07664	0.8
127.52299	0.4
130.05101	2.5
134.06116	1.6
140.92668	0.5
142.08780	0.4
150.05603	2.6
152.07173	100.0
154.49080	0.4
166.98328	0.4
168.06750	0.5
178.05118	4.3
196.06160	11.5
240.02722	0.9
240.05150	16.7
258.06174	15.3
258.08768	0.8
258.75778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08524	0.5
62.90688	0.5
72.04523	0.6
72.40616	0.5
73.02940	0.6
82.02982	5.3
83.01389	0.6
83.04975	0.7
84.04562	2.1
86.06115	1.1
92.12729	0.5
94.02973	11.3
96.04552	6.2
98.02457	2.9
99.00907	0.8
100.04025	0.6
110.02482	0.7
112.04059	0.9
114.52818	0.6
123.03272	0.8
124.07684	0.7
130.05101	3.6
135.04552	0.6
148.11877	0.6
150.05586	3.0
152.07172	100.0
154.02298	0.8
174.16534	0.7
176.37256	0.5
178.05067	5.6
194.04495	0.6
196.06154	10.8
222.04163	0.5
240.05173	16.1
258.06152	14.7
258.09973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12494	0.5
69.03467	0.8
72.04520	1.1
82.02977	4.9
83.05021	0.5
84.04521	0.7
86.06129	1.0
90.68443	0.6
90.98572	0.6
94.02990	6.7
96.04546	7.4
98.02465	2.5
100.04047	0.8
101.02404	0.7
110.06196	0.6
112.04053	0.8
112.15092	0.5
124.07662	0.6
130.05080	2.8
132.66692	0.6
138.14317	0.6
142.08768	0.6
143.95107	0.6
150.05615	1.4
152.07167	100.0
178.05042	5.1
178.08766	0.9
196.06187	10.0
207.73105	0.6
240.05159	15.3
258.06201	13.8
258.09915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23878	0.3
50.45527	0.3
64.40807	0.4
67.83890	0.4
69.03459	0.6
71.05009	0.5
71.13441	0.3
72.04556	0.8
82.02975	6.6
84.04556	0.6
86.06131	1.8
94.02972	6.4
96.04544	6.4
98.02456	2.3
99.00873	0.7
104.85995	0.4
108.37386	0.4
110.06116	0.4
112.04052	1.5
120.41892	0.4
122.06129	0.4
124.07637	0.5
130.05081	3.0
130.08755	0.6
134.06108	1.0
141.84863	0.4
142.08762	0.8
150.05637	3.1
152.07173	100.0
178.05116	4.8
180.20276	0.4
196.06160	10.3
210.91042	0.4
212.09290	0.5
212.77409	0.4
228.38402	0.4
240.05136	15.6
240.08784	0.6
258.06201	12.4
258.09833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03487	38.7
70.11816	1.2
71.07248	1.1
85.02930	1.2
90.33451	1.5
93.03425	1.4
94.02979	100.0
101.73125	1.2
108.75994	1.4
119.05018	8.9
121.02950	7.9
121.06511	1.6
130.08719	2.7
147.04518	38.4
158.20844	1.2
170.11879	7.0
178.28975	1.3
178.85963	1.3
181.05424	12.6
196.07704	24.2
196.09584	2.3
214.08754	25.9
214.10840	7.7
243.05525	4.4
258.05420	1.3
258.07681	12.3
258.10080	1.2
258.13330	1.6
272.89816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75028	0.5
64.36687	0.4
66.03488	100.0
76.04828	0.5
78.62486	0.4
90.92857	0.5
93.70318	0.5
94.43040	0.5
110.02471	85.8
113.18111	0.6
118.96552	0.5
147.04535	2.6
155.98495	0.5
165.53326	0.6
199.78171	0.5
214.08765	34.9
243.06706	0.5
247.59296	0.5
258.07742	7.0
258.14816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48576	0.7
55.05880	0.7
84.04540	12.8
85.02954	1.7
85.06638	0.8
100.04063	4.0
112.18410	1.0
128.03531	1.8
128.07175	80.5
129.05548	6.1
142.12334	1.8
152.10867	1.5
166.69255	1.0
170.11894	13.3
196.09793	4.9
214.01402	0.9
214.10864	100.0
240.08807	6.0
258.07379	1.9
258.09860	39.5
269.86774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1711
Annotation	Hexanoylcarnitine
Peak:m/z	Relative Intensity
70.02174	0.5
98.41562	0.5
99.73585	0.5
100.21015	0.5
101.23041	0.5
103.67336	0.5
114.79271	0.5
126.34456	0.5
176.52557	0.6
184.17087	9.2
194.15480	6.6
195.13934	12.8
195.15614	1.0
197.15515	4.1
212.16583	42.4
242.26379	0.6
258.17111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37725	1.0
56.78154	1.0
59.01383	100.0
67.51655	1.1
72.70465	1.4
85.87272	1.2
86.02466	1.4
92.23055	1.4
95.79083	1.2
142.06667	1.8
143.06979	2.2
158.06148	3.1
170.15491	6.1
172.09647	5.7
180.14061	1.6
181.12360	3.0
198.15002	49.5
207.74709	1.5
214.10727	8.8
216.08578	11.1
218.59666	1.3
258.08591	2.6
258.17133	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12770	0.6
61.39066	0.5
68.08738	0.7
71.12537	0.5
71.89651	0.6
78.95903	100.0
80.69511	0.6
85.76244	0.6
96.96954	37.8
138.98016	0.7
168.98933	0.9
183.72473	0.8
194.47812	0.7
198.90527	8.1
198.92249	0.9
199.00261	0.7
210.27872	0.7
214.93752	1.1
221.40131	0.7
240.91635	8.5
258.92670	11.3
259.02243	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45719	0.4
62.46551	0.4
68.82703	0.4
78.95904	100.0
85.16335	0.5
86.03652	0.5
96.96959	44.7
138.98022	4.6
148.12909	0.5
159.30865	0.5
168.99026	0.6
199.00165	0.8
207.50171	0.5
241.01192	2.9
259.02252	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01373	4.4
71.01377	1.2
72.04553	1.2
72.99313	5.8
73.02946	5.1
74.02473	29.8
80.96506	1.7
82.02972	1.5
83.01398	5.5
84.00934	3.9
86.06164	1.1
87.00877	23.9
87.05631	38.9
91.97138	1.1
92.23033	1.5
95.04990	1.6
96.04546	13.0
97.06580	4.0
98.02470	6.5
99.00898	1.0
99.04519	2.3
101.02463	2.6
103.00355	1.7
109.06599	4.8
111.04510	2.6
112.04057	20.6
113.02444	7.5
113.03567	4.8
122.02482	6.3
123.04485	1.8
125.06018	2.2
125.07239	1.1
131.04636	11.7
140.03552	2.2
141.05591	1.8
143.03522	1.4
143.08299	1.5
151.05087	9.5
153.06686	19.0
153.15356	1.2
156.03004	2.3
166.01460	6.9
169.06247	14.1
171.06569	11.8
171.07901	1.4
179.04620	2.3
197.05740	19.6
213.05190	90.5
215.05571	19.0
225.95221	1.2
241.04713	31.6
259.04489	100.0
259.11887	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85920	0.4
56.11270	0.4
57.03469	0.7
59.01391	3.5
69.03442	0.6
70.70920	0.4
71.04985	0.4
72.99310	0.7
73.21398	0.4
80.43367	0.5
83.05009	4.3
87.00861	0.7
95.05017	0.8
97.02933	0.5
97.06587	22.9
98.03729	10.1
107.04990	0.6
109.06588	8.6
111.04533	0.8
112.05269	1.2
113.57568	0.5
123.04520	0.6
125.06049	3.3
127.04005	0.8
127.07677	0.6
141.05580	2.4
153.05592	0.9
171.06635	38.0
172.22685	0.5
188.03532	4.2
195.22472	0.6
199.09824	0.9
215.05632	21.1
216.03065	3.3
241.03450	2.1
259.04602	100.0
259.11929	2.2
260.68069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
65.41747	0.5
69.03452	1.0
71.04995	0.7
72.99313	1.1
73.40104	0.6
76.30922	0.6
81.03440	0.7
83.05020	3.2
87.00858	1.1
95.05049	0.7
97.06579	22.8
98.03725	8.5
98.84354	0.5
99.04523	0.6
109.06576	6.2
111.04538	1.3
112.05304	1.3
116.31705	0.6
125.06058	2.8
127.04004	1.0
127.07665	0.7
141.05611	1.4
153.05568	0.7
171.06630	40.8
188.03502	1.4
215.05649	21.9
216.03099	0.7
241.03778	2.0
241.10883	0.6
245.46678	0.5
259.04599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62142	0.5
57.03431	1.0
59.01370	4.0
59.01628	0.5
60.49697	0.5
69.03452	0.6
71.01376	1.2
71.19716	0.5
71.88732	0.5
72.27271	0.5
72.99299	3.9
73.02943	7.4
74.02464	0.6
77.91863	0.6
80.16725	0.6
80.96533	1.1
81.03421	0.6
83.01368	0.5
83.05003	0.6
85.02922	0.7
87.00351	1.1
87.00872	23.9
95.05006	2.4
96.00893	0.9
97.06578	6.0
98.02486	0.8
98.55637	0.5
99.04532	5.4
101.02427	4.6
103.00356	1.2
109.06560	4.1
111.04510	3.2
113.02431	8.5
115.00360	0.9
118.01015	0.6
123.04494	4.0
125.02402	0.7
125.06130	2.0
141.05602	5.2
141.67252	0.6
142.94823	1.3
143.03514	1.4
143.11888	0.7
153.05528	1.3
153.77013	0.6
157.08626	1.0
169.04987	0.6
170.00481	1.0
170.99199	1.4
171.06660	11.8
182.00404	1.3
183.01208	0.9
197.11809	0.7
199.09996	0.8
215.05617	16.9
229.03238	0.8
241.03505	0.9
244.00301	0.9
259.04602	100.0
259.07993	3.3
259.11761	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.13043	0.5
59.01374	1.2
69.03454	0.8
72.99317	0.8
80.02656	0.6
83.05028	3.2
83.05473	0.6
89.22990	0.7
95.05043	1.3
97.02976	0.6
97.06586	22.4
98.03719	9.3
99.04540	0.8
107.05015	0.7
109.06579	10.4
123.04498	0.9
125.06070	3.3
127.03996	0.8
127.07659	1.0
127.59100	0.6
141.05553	1.0
153.05530	1.1
161.64307	0.6
171.06641	36.6
187.06111	0.7
215.05634	24.3
241.03580	2.8
259.04593	100.0
272.30075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.4
60.56383	0.6
72.99304	0.8
73.40918	0.6
78.06712	0.6
78.95902	3.8
81.48310	0.6
83.05023	3.6
95.05019	0.7
97.06583	19.8
98.03730	11.4
102.00493	0.7
109.06571	8.3
112.05286	0.8
125.06057	1.7
141.05606	1.5
153.05573	1.0
171.00670	3.6
171.06636	36.4
215.05643	21.3
241.03537	1.5
255.97397	0.7
259.04596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96992	0.7
56.33794	0.7
59.01385	1.5
67.76932	0.9
69.03436	1.2
72.99300	4.5
75.24822	0.8
80.77698	0.7
80.96516	0.8
83.05027	4.0
87.00843	1.5
95.04988	1.0
97.06577	20.1
98.03725	9.5
99.15458	0.8
100.41451	0.8
107.04903	1.1
109.06587	8.9
112.05266	1.2
125.06084	3.4
127.04002	1.2
141.05554	1.5
153.05591	1.4
168.76332	0.9
171.06622	39.7
201.08359	1.0
215.03619	1.7
215.05594	21.0
241.03552	3.6
253.93950	0.9
259.04587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.00592	6.9
59.01376	5.3
69.03449	1.3
71.01374	2.0
72.99304	2.7
73.02919	1.3
78.95909	2.2
80.58609	1.0
83.05031	5.2
85.02958	4.8
87.00846	4.3
87.04552	1.4
88.04043	1.5
93.03461	1.7
95.05051	2.3
97.02941	2.4
97.06572	16.9
98.03727	6.5
99.00875	2.1
99.04458	1.3
99.08144	1.7
101.02433	4.7
107.05011	1.2
109.06586	17.5
111.04510	2.4
113.02411	7.4
113.06058	5.1
115.04007	2.2
121.02946	1.1
125.06083	9.0
127.04012	1.4
127.07642	22.8
129.50641	1.1
135.04480	1.7
141.05577	2.1
153.05563	4.9
155.03561	1.2
157.05054	1.5
171.06635	38.3
197.04601	2.2
215.05624	36.3
241.03542	2.2
241.07460	1.0
259.04617	100.0
259.08087	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33010	0.7
54.19510	0.7
55.97987	0.7
56.93827	0.9
58.02192	0.8
59.01373	1.6
66.56462	0.8
69.03454	1.0
72.99311	1.7
78.95910	11.9
83.05010	3.4
87.00844	1.3
95.05020	1.4
96.96941	10.0
97.06582	22.1
98.03725	8.5
101.02446	1.1
109.06594	10.9
111.04507	1.1
113.02413	1.1
121.03904	0.9
125.06065	4.2
127.03981	1.0
127.07651	4.2
141.05611	1.4
153.05588	1.6
170.00386	1.2
171.05531	0.9
171.06639	37.1
215.05647	23.5
259.02335	6.4
259.04608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52077	1.5
70.02967	7.2
70.43025	1.4
72.04544	3.4
82.02975	40.4
83.01394	6.1
93.19725	1.4
93.69845	1.4
96.00912	100.0
98.02470	25.9
100.04039	23.1
110.06104	2.7
113.03552	12.1
114.01938	24.0
126.01972	9.6
127.00364	3.2
131.04628	25.6
151.05145	6.7
153.06682	1.9
169.06201	11.0
179.04597	18.4
195.04114	7.8
197.05704	9.4
213.05176	20.9
223.03732	3.0
241.04694	64.9
250.01085	1.6
259.05725	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
58.02975	0.7
59.01375	0.8
62.81316	0.7
66.45685	0.6
68.01408	0.6
70.02993	5.3
71.01389	0.9
72.04559	4.8
82.02979	48.0
83.01397	4.7
90.05548	0.7
96.00906	100.0
98.02468	26.5
100.03429	1.2
100.04046	25.4
110.06078	3.0
113.03537	9.5
114.01958	22.8
115.00349	1.3
125.03551	1.0
126.01964	11.3
126.05672	0.7
127.00364	4.2
131.04614	24.9
144.03033	1.6
151.05093	7.2
153.06696	2.5
154.05121	1.0
169.06226	10.1
179.04645	15.3
195.04181	6.5
197.05721	6.7
213.05176	20.7
223.03651	3.3
241.04669	58.6
242.03079	0.7
259.05801	13.0
259.08237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64426	0.8
59.01380	1.1
70.02982	1.4
72.99309	1.8
74.02470	42.3
79.04623	1.0
83.01366	2.3
84.00933	3.5
87.00858	1.2
87.04475	1.0
87.05631	38.9
96.04551	15.5
98.02448	7.3
99.00884	1.5
99.04498	1.1
104.01279	1.1
112.04047	22.9
113.03590	4.3
114.05608	2.3
122.02481	5.6
123.05592	1.1
125.07175	1.2
131.04628	10.9
140.03543	3.9
143.08286	5.1
151.05086	6.0
153.06683	21.0
156.03047	4.0
166.01463	9.9
169.06183	12.1
171.07776	1.5
179.04536	1.8
184.02510	1.6
197.05705	21.7
199.09727	1.3
213.05190	100.0
215.06830	1.8
217.18755	1.0
223.03531	1.2
241.04703	37.9
259.05823	46.5
259.08508	2.2
259.11887	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79906	1.1
57.45157	1.2
65.30333	1.0
69.33631	1.4
72.99310	1.3
74.02472	41.6
74.73783	1.2
79.97144	1.1
82.02997	2.0
83.01397	2.7
84.00910	7.2
87.05124	2.5
87.05631	43.8
96.04552	13.9
96.96938	1.1
98.02479	7.4
99.00867	1.6
112.04051	21.5
113.03555	2.6
114.05622	2.5
122.02471	5.1
123.59338	1.2
125.07158	1.4
131.04665	9.7
140.03500	1.8
143.08240	1.7
151.05125	7.1
153.06688	21.2
156.03062	5.5
166.01457	8.4
169.06155	15.7
179.04639	2.8
184.02496	2.2
197.05713	23.7
199.68311	1.3
213.05197	100.0
215.06808	2.4
241.04695	42.6
243.80963	1.4
246.21741	1.5
259.05847	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03119	1.1
53.18861	1.3
62.42951	1.2
67.43063	1.4
72.99296	3.2
73.02950	3.8
74.02471	37.2
78.77048	1.3
81.51441	1.4
82.02965	2.0
83.01388	3.2
84.00916	5.8
87.00407	1.6
87.00861	12.4
87.05630	42.0
93.43594	1.5
96.04544	15.4
97.04030	1.4
97.06566	3.2
98.02483	6.7
99.00857	3.0
99.04501	2.6
100.04071	1.5
102.81475	1.5
112.04033	20.7
113.02445	3.2
113.03545	3.2
114.05579	1.9
122.02477	5.7
123.04483	1.8
125.06145	2.4
131.04655	11.1
138.08005	1.6
141.05525	1.9
143.08231	2.1
151.05121	8.7
153.06694	20.4
166.01440	9.9
169.06242	10.7
171.06587	7.0
179.04665	2.4
197.05698	24.1
213.05196	100.0
215.05579	9.4
215.07275	2.1
215.70744	1.4
241.04715	34.5
259.04471	57.4
259.11774	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25739	1.2
56.08571	1.3
57.03446	2.1
59.01384	9.3
59.48000	1.3
69.03451	1.4
72.99310	4.0
74.02469	40.1
82.02995	2.7
82.51234	1.5
83.01396	3.5
84.00896	2.5
87.00859	7.5
87.05629	40.7
96.04552	15.1
97.02930	1.6
98.02490	3.9
101.02438	7.7
103.26771	1.6
112.04044	20.4
113.03546	2.8
114.05614	1.9
122.02512	6.6
125.09708	2.0
131.04628	10.9
151.05167	3.7
153.06705	18.8
156.02971	2.8
165.98709	1.8
166.01457	4.0
169.06195	10.9
169.08690	2.9
170.99202	1.9
171.06589	2.3
182.00546	1.5
197.05769	21.7
199.09824	2.4
213.05183	100.0
238.14430	1.7
241.04749	36.2
259.05518	41.3
259.08405	3.7
259.11780	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97863	1.0
63.42827	1.1
66.61687	1.0
67.06242	1.1
70.02972	6.2
71.01409	1.6
72.04539	2.7
82.02985	35.8
83.01387	2.4
90.77610	1.2
96.00906	100.0
98.02472	24.1
99.04506	2.5
99.26334	1.2
100.04053	24.4
110.06087	1.5
113.03555	10.1
114.01968	21.2
126.01956	9.2
127.00383	2.5
131.04619	30.1
134.14778	1.3
143.03549	2.7
144.02991	2.4
151.05115	6.4
169.06192	9.3
171.01239	1.6
179.04639	17.2
195.04126	5.3
197.05685	7.8
197.21199	1.4
210.38631	1.5
213.05180	18.4
223.03658	2.0
241.04695	59.3
259.03189	1.6
259.05710	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01875	2.0
54.20466	1.9
54.88093	2.1
61.12996	2.2
64.97102	2.0
70.02975	5.2
71.97130	2.4
72.04559	2.6
82.02977	40.9
96.00914	100.0
98.02470	19.5
99.04524	18.2
100.04041	22.1
113.03555	9.0
114.01970	17.4
126.01943	10.3
131.04628	25.1
143.03546	3.3
151.05133	5.4
153.06801	4.4
169.06229	5.5
179.04680	17.0
195.04214	8.3
197.05695	4.2
213.05284	21.2
241.04681	58.3
259.05704	15.2
259.11938	5.1
259.15369	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20463	1.3
65.45733	1.1
70.02976	5.7
72.04562	3.1
72.99327	1.4
82.02985	39.2
83.01390	5.1
96.00914	100.0
98.02475	23.5
99.04527	25.3
100.04047	20.5
110.06119	1.9
113.03577	7.8
114.01973	20.4
120.39685	1.3
126.01958	11.0
127.00380	1.5
131.04616	26.3
133.05095	4.8
142.25467	1.3
143.02483	1.3
143.03464	11.7
144.03067	2.0
151.05128	6.9
153.06670	2.4
169.06183	8.7
179.04689	13.4
195.04092	5.5
197.05721	7.9
213.05188	21.6
223.03545	2.2
241.04683	62.4
259.05704	8.9
259.08307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64426	0.8
59.01380	1.1
70.02982	1.4
72.99309	1.8
74.02470	42.3
79.04623	1.0
83.01366	2.3
84.00933	3.5
87.00858	1.2
87.04475	1.0
87.05631	38.9
96.04551	15.5
98.02448	7.3
99.00884	1.5
99.04498	1.1
104.01279	1.1
112.04047	22.9
113.03590	4.3
114.05608	2.3
122.02481	5.6
123.05592	1.1
125.07175	1.2
131.04628	10.9
140.03543	3.9
143.08286	5.1
151.05086	6.0
153.06683	21.0
156.03047	4.0
166.01463	9.9
169.06183	12.1
171.07776	1.5
179.04536	1.8
184.02510	1.6
197.05705	21.7
199.09727	1.3
213.05190	100.0
215.06830	1.8
217.18755	1.0
223.03531	1.2
241.04703	37.9
259.05823	46.5
259.08508	2.2
259.11887	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41012	0.5
56.66045	0.6
59.01381	1.2
73.02927	1.0
82.02957	1.6
85.02943	0.8
87.04504	0.8
96.00922	4.2
98.02455	0.9
99.04516	100.0
100.04041	1.1
103.04037	5.4
103.04619	0.8
114.02018	0.9
120.11279	0.6
133.05075	16.2
142.84831	0.8
143.03505	48.8
145.08710	1.4
199.03496	0.8
241.04660	3.1
259.08252	1.4
259.11938	0.9
259.15607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.02537	1.0
63.62785	0.9
71.04991	0.9
73.02946	7.6
80.11003	1.0
83.05013	1.4
85.02960	1.2
87.04496	4.6
92.47119	0.9
96.00928	1.4
97.06555	3.8
98.02466	1.1
99.04517	100.0
101.06093	2.0
103.04008	4.1
110.18814	0.9
127.07700	1.0
133.05074	16.2
143.03497	53.5
145.08722	8.6
146.98199	1.0
242.67905	1.1
259.11942	1.0
259.15533	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55718	0.4
59.01383	0.5
71.01369	0.4
72.02175	0.3
72.99300	1.7
73.02937	0.5
92.71467	0.3
125.09686	1.4
127.11302	1.5
141.12854	0.3
155.10760	1.7
169.12375	0.8
171.10289	10.2
171.11784	0.6
179.10852	1.6
185.11856	1.7
197.10237	0.6
197.11876	9.5
213.11351	4.9
215.12895	100.0
241.10825	4.0
259.11942	5.8
259.14706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83459	0.6
57.03455	0.9
59.01385	1.3
59.39017	0.6
63.99447	0.6
68.90948	0.6
71.05017	1.3
72.99303	39.0
75.00868	1.6
75.24039	0.5
87.00874	9.1
125.09719	1.0
134.25858	0.8
136.23569	0.7
153.12831	3.2
154.68846	0.7
169.12360	3.5
170.00517	0.7
171.10283	21.6
179.10814	4.1
185.11853	4.2
196.56456	0.7
197.11845	100.0
199.09821	1.1
201.11308	1.2
215.12843	9.4
223.09772	1.3
241.10835	70.7
259.07925	1.0
259.11887	36.5
275.16116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34136	0.5
53.32136	0.5
59.01375	0.7
71.01374	0.7
72.99329	1.1
76.19791	0.6
78.95905	2.4
80.15887	0.5
82.02975	2.7
84.04553	2.5
99.04524	5.3
100.66051	0.6
102.69042	0.6
115.03991	0.7
127.05104	0.9
128.03539	100.0
130.08736	81.1
141.10381	0.9
143.03474	1.1
171.15018	0.8
179.11862	5.3
197.12962	11.7
223.10875	9.8
241.11937	21.3
259.02353	0.8
259.08505	0.6
259.13101	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15126	0.8
53.37433	0.9
57.03448	9.0
69.03450	21.4
69.32286	1.0
73.73416	0.8
87.04507	2.2
124.44459	0.8
127.11333	1.3
171.10286	89.7
172.47601	1.0
201.11372	2.1
215.08510	1.4
241.14276	1.2
259.15524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0235
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
59.19354	0.8
72.00898	5.0
74.02472	4.9
79.03056	0.8
79.95731	17.5
83.95676	0.8
93.03434	8.6
98.92968	0.8
106.04235	1.2
119.05026	39.8
122.71172	0.9
134.46895	0.8
135.04543	3.8
136.07643	1.4
144.54897	0.8
163.04025	9.4
180.06673	83.8
185.99915	4.3
199.00717	36.2
215.00221	16.6
234.88828	0.8
242.99736	0.9
260.02350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22201	0.9
71.01379	33.2
72.04527	8.7
75.00854	1.6
76.68995	0.9
82.02979	76.3
83.01355	1.2
88.04034	25.0
96.00901	1.1
98.02458	18.6
100.04043	80.7
101.02450	5.3
108.04548	1.3
109.02946	1.0
110.02450	2.0
110.06113	16.6
112.55154	1.0
114.01954	5.6
115.00363	100.0
126.01954	11.4
126.05634	4.5
127.00386	1.4
132.03023	43.1
136.04085	1.6
145.01343	1.2
154.05104	12.8
170.04637	4.7
198.04092	74.4
199.91045	1.0
214.03577	10.5
242.03084	54.1
260.04166	6.3
260.15076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48179	0.9
54.17502	0.8
57.93638	1.0
59.87014	1.0
67.13021	1.0
70.02976	1.1
71.01380	32.4
71.01777	1.1
72.04562	7.3
82.02982	89.3
83.01394	2.4
88.04037	27.9
98.02467	17.9
100.04042	80.5
100.63065	1.0
101.02448	4.3
106.41910	1.0
108.04546	2.2
110.06108	18.8
112.80486	0.9
113.64922	1.0
114.01950	4.9
115.00365	100.0
126.01965	13.2
126.05625	4.0
127.00338	4.3
132.03018	40.9
136.04073	1.7
138.91383	1.0
144.02995	1.7
154.05124	12.5
170.04596	6.4
198.04100	72.2
200.30176	1.1
214.03596	9.3
222.75197	1.0
242.03065	56.6
244.87074	1.2
260.04153	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0928
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
64.91147	0.4
66.03493	1.0
84.60907	0.5
94.02977	24.6
99.20232	0.5
108.01462	0.6
108.12784	0.5
124.04033	100.0
131.03735	1.0
135.04500	2.5
142.26797	0.5
155.25909	0.6
180.65669	0.6
185.35883	0.6
216.06500	0.7
260.05527	1.1
260.09280	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0928
Annotation	Annomontine
Peak:m/z	Relative Intensity
51.55569	0.4
64.00822	0.5
66.36276	0.4
80.42508	0.5
81.33637	0.5
133.01927	0.7
133.02951	35.8
147.03259	65.2
151.96773	0.5
160.04018	3.2
175.02774	1.9
189.09193	1.9
202.05032	1.1
203.05850	2.9
216.10245	5.4
231.05437	1.8
232.07397	1.0
232.09790	39.1
260.09283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84203	0.7
58.25945	0.6
66.26981	0.8
102.32593	0.8
110.60988	1.0
133.02954	42.9
138.82509	0.7
147.03267	63.2
166.58093	0.7
169.52010	0.7
173.04822	3.4
175.02737	3.6
189.04308	7.7
189.09212	4.2
197.36992	0.8
216.10321	11.8
217.03819	5.1
232.09795	40.2
255.89337	0.7
260.09296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02978	0.4
57.03441	0.4
70.06665	0.5
86.02584	0.5
89.13506	0.5
91.65387	0.5
102.59544	0.4
113.02447	100.0
113.10747	0.4
124.12524	0.5
134.06050	3.4
135.66693	0.5
148.07686	2.4
158.06085	1.1
160.07706	2.0
172.07710	2.1
174.09232	5.7
176.07156	1.8
188.10831	2.6
200.07144	3.3
202.08768	6.5
204.06726	2.6
204.10342	1.9
214.70703	0.5
216.10283	3.9
232.09813	2.3
244.06145	0.5
245.06989	2.6
260.09293	12.3
262.55301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.093
Annotation	Annomontine
Peak:m/z	Relative Intensity
62.68852	0.3
63.43729	0.3
68.05045	0.7
76.83470	0.3
80.05061	1.9
86.63744	0.3
91.05529	33.1
96.04528	1.3
97.02947	3.8
112.04044	22.0
112.04700	0.3
116.05077	0.5
117.07104	11.6
118.06628	5.3
124.04035	6.6
131.08681	7.0
135.04514	0.7
146.36078	0.3
147.04530	3.2
154.79094	0.3
170.09753	1.5
172.11328	100.0
186.09261	1.3
209.59421	0.3
216.10303	8.2
260.09308	29.9
277.15714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1141
Annotation	Mycosporine
Peak:m/z	Relative Intensity
59.53028	0.5
66.03477	0.8
71.01366	3.1
72.99305	34.8
77.55251	0.5
81.02203	10.0
82.02968	2.4
88.21792	0.6
100.07674	0.6
109.01695	5.9
114.96520	0.7
122.09740	5.9
125.86542	0.6
138.09230	11.7
140.07176	0.9
140.10799	1.4
154.08730	2.8
155.05881	5.3
155.17378	0.6
166.08731	100.0
168.06659	3.8
170.08214	8.4
182.08266	0.7
184.09818	7.1
188.09309	1.3
198.11116	0.7
198.12207	0.6
200.09312	4.8
208.16566	0.7
210.07755	10.3
214.08925	0.8
214.10855	15.6
228.08771	6.3
242.07861	1.4
242.10361	40.5
260.11404	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.114
Annotation	Mycosporine
Peak:m/z	Relative Intensity
50.23603	1.2
62.58862	1.4
69.19681	1.1
71.01370	2.0
72.31789	1.3
72.99304	36.2
74.50612	1.3
81.02211	6.0
82.06617	2.1
91.20631	1.5
92.22625	1.5
92.84668	1.6
93.00345	1.7
98.23906	1.5
98.38067	1.4
109.01659	6.6
112.28123	1.4
122.09734	7.4
138.09251	19.4
140.10730	1.6
154.08722	3.2
155.05881	8.2
162.94501	1.4
166.08733	100.0
168.06664	6.0
170.08282	12.1
184.09776	5.5
198.11446	2.9
200.09299	9.8
210.07721	9.2
214.10875	26.6
216.13254	8.5
228.08862	2.9
242.10376	40.3
242.81137	1.4
260.11411	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.114
Annotation	Mycosporine
Peak:m/z	Relative Intensity
50.31567	2.1
50.38980	2.2
50.39226	2.6
51.82701	2.2
57.82100	2.3
59.53399	2.5
65.25558	3.1
71.01357	2.8
72.99301	40.4
81.02180	3.1
109.01691	6.2
122.09707	9.4
138.09250	16.0
148.49805	2.6
155.05864	6.2
166.08733	100.0
166.09871	3.5
168.06628	4.7
170.08276	20.2
184.09831	9.7
188.09346	3.7
200.09254	4.6
210.07704	10.7
214.10918	27.6
228.08795	3.7
242.10388	44.7
260.11429	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40619	0.8
60.36489	1.0
67.36006	0.9
72.99308	16.3
75.00871	87.2
175.59814	1.0
184.13457	6.7
196.13487	2.1
214.14433	1.9
260.15048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1505
Annotation	3-hydroxyisovalerylcarnitine
Peak:m/z	Relative Intensity
63.61599	0.7
72.99310	15.7
75.00869	76.4
87.18526	0.7
95.76699	0.7
113.12439	0.8
153.88023	0.7
176.84909	0.8
179.17668	0.9
184.13451	6.4
196.13530	3.2
214.14470	1.2
260.05377	4.1
260.15048	100.0
262.48865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85655	1.0
58.02708	1.2
58.02980	20.4
59.01371	1.9
59.35776	1.0
69.57613	1.0
70.02979	14.9
74.02470	100.0
77.15695	1.0
79.17185	1.3
86.02468	2.5
96.00911	49.6
98.02476	2.3
101.07211	8.5
102.01970	55.5
114.01956	61.0
125.09695	5.2
127.05095	1.2
142.01491	2.6
146.06116	10.7
171.04141	8.1
173.05653	2.1
187.09773	7.4
189.05194	42.9
217.04680	14.7
217.09763	2.7
234.84227	1.3
243.07683	4.1
261.03827	1.7
261.08630	4.2
261.11166	1.5
261.13565	2.4
261.16824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96597	0.2
53.18902	0.2
59.30276	0.3
60.14722	0.2
66.63985	0.2
71.42998	0.2
77.51180	0.3
94.45458	0.3
116.23359	0.3
124.07807	0.3
138.80753	0.3
158.22345	0.3
162.05606	100.0
166.98911	0.3
218.04588	37.3
239.69223	0.3
261.05243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44178	1.3
62.40866	1.6
63.30058	1.4
70.02977	6.8
71.01383	1.6
72.99310	5.9
74.23434	1.3
84.04536	20.1
90.28222	1.3
96.00908	100.0
98.02469	2.8
116.03540	7.9
125.03556	2.2
125.07189	2.9
127.05116	22.6
128.03531	49.3
137.07242	12.9
145.06189	46.0
157.06180	7.7
178.87341	1.4
187.07268	3.3
190.05229	2.1
218.04623	1.9
222.06987	1.6
222.09155	1.6
225.05179	69.5
243.06245	53.7
261.05008	3.6
261.07397	2.7
261.09796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30120	0.8
59.01384	1.1
70.02971	7.3
71.01367	1.6
72.00886	1.4
74.02483	3.0
78.51009	0.7
82.02972	1.4
84.04543	17.4
88.04022	0.9
96.00906	78.3
98.02470	4.1
101.07187	6.1
109.04047	3.5
111.05643	0.9
114.01936	1.7
116.03520	1.8
125.03529	3.6
127.05129	23.1
128.03531	39.3
129.06723	1.0
132.03011	1.1
137.07190	11.7
145.06184	100.0
155.08290	1.8
157.06172	15.9
171.07756	0.7
181.06140	1.3
199.07379	0.8
201.05188	1.6
225.05174	61.6
243.06207	47.8
261.07251	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0728
Annotation	alpha-Glu-asp
Peak:m/z	Relative Intensity
52.08178	1.0
58.02993	1.3
59.01378	2.0
70.02963	9.3
71.01369	4.5
72.25517	1.1
74.02474	2.3
84.04542	18.1
89.66872	1.0
90.72038	1.1
92.04073	1.2
96.00906	76.9
98.02461	4.6
101.07240	4.3
109.04050	2.3
111.05652	1.9
114.01965	1.7
116.03510	1.4
127.05128	26.1
128.03528	39.0
130.89822	1.2
137.07208	12.0
139.05334	1.0
145.06184	100.0
150.58685	1.1
157.06154	15.3
191.54297	1.4
199.07333	1.9
201.05243	1.9
225.05168	59.0
242.24350	1.3
243.06209	40.4
261.07263	6.8
261.09937	1.5
271.38367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08178	1.0
58.02993	1.3
59.01378	2.0
70.02963	9.3
71.01369	4.5
72.25517	1.1
74.02474	2.3
84.04542	18.1
89.66872	1.0
90.72038	1.1
92.04073	1.2
96.00906	76.9
98.02461	4.6
101.07240	4.3
109.04050	2.3
111.05652	1.9
114.01965	1.7
116.03510	1.4
127.05128	26.1
128.03528	39.0
130.89822	1.2
137.07208	12.0
139.05334	1.0
145.06184	100.0
150.58685	1.1
157.06154	15.3
191.54297	1.4
199.07333	1.9
201.05243	1.9
225.05168	59.0
242.24350	1.3
243.06209	40.4
261.07263	6.8
261.09937	1.5
271.38367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0729
Annotation	alpha-Glu-asp
Peak:m/z	Relative Intensity
51.64544	0.9
52.03788	1.0
53.60794	1.1
65.07822	1.1
66.31694	1.0
70.02985	9.7
71.01392	1.4
72.00906	2.1
74.02477	2.2
79.22935	1.2
82.02995	1.8
84.04543	19.0
96.00910	80.9
98.02493	2.1
101.07210	7.6
109.04075	2.9
114.01975	1.8
116.03546	1.6
125.03545	1.5
127.05135	29.8
128.03531	42.9
129.98618	1.2
134.07545	1.3
137.07187	12.7
145.06198	100.0
152.69647	1.5
155.08231	1.5
157.06194	14.8
181.06154	1.6
199.07350	1.3
201.05235	1.5
215.83316	1.3
225.05190	62.0
243.06232	47.3
261.07306	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28956	1.1
51.73564	1.1
58.36461	1.1
70.02975	9.9
72.99309	6.1
82.02979	1.5
84.04544	20.8
84.69273	1.4
96.00909	100.0
98.02474	6.7
101.07224	1.4
109.04114	2.0
116.03513	6.5
125.07216	3.0
127.05117	23.4
128.03534	48.7
137.07199	12.2
145.06192	59.0
155.08247	2.4
157.06203	10.1
179.31506	1.5
187.07332	6.5
191.71484	1.5
225.05183	80.6
230.00699	1.6
243.06230	59.8
261.07272	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02952	1.0
62.29222	1.0
65.09139	0.9
70.02965	7.4
71.01380	1.5
72.00892	1.1
74.02467	2.2
75.11175	0.9
82.02961	2.0
84.04533	14.5
96.00900	75.1
98.02456	5.1
101.07195	5.3
109.04087	3.6
111.05614	1.1
114.01936	1.6
115.00355	1.5
116.03496	4.0
125.03523	2.1
125.99054	1.1
127.05116	24.5
128.03522	43.8
129.06686	1.9
132.04605	1.3
137.07227	13.7
145.06184	100.0
155.08304	1.3
157.06181	16.4
183.03963	1.7
199.07262	2.0
201.05203	2.2
225.05151	60.6
243.06209	49.0
261.02606	1.1
261.06952	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.1
58.57613	0.6
63.41563	0.6
63.78235	0.6
68.37183	0.5
70.02971	9.3
71.01382	1.3
72.99287	6.4
84.04034	0.9
84.04542	21.9
86.02537	0.8
92.22701	1.1
92.91124	0.6
96.00906	100.0
98.02471	6.3
99.00919	0.9
101.07215	1.1
106.18602	0.7
109.04083	3.5
114.01970	3.8
115.00385	0.8
116.03540	7.3
120.81902	0.7
125.07193	5.1
127.05128	15.9
128.03535	47.0
130.61137	0.7
137.07214	13.9
145.06189	58.8
155.08260	2.6
157.06200	8.5
162.35907	0.6
169.06172	1.5
171.07745	1.4
181.06085	1.0
183.04106	1.5
187.07246	5.2
199.07274	1.4
225.05176	72.7
243.06227	62.5
261.07367	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0728
Annotation	alpha-Glu-asp
Peak:m/z	Relative Intensity
53.69812	1.0
59.01390	1.4
66.93748	1.3
69.75877	1.0
70.02977	6.7
71.01370	4.9
72.00896	1.3
72.99328	1.2
74.02475	6.7
74.03656	1.1
84.04542	17.2
84.61012	1.3
96.00905	77.5
98.02473	5.1
101.07183	6.0
109.04050	2.1
111.05646	2.3
114.01963	1.9
116.03524	2.6
119.21390	1.1
125.03445	1.3
125.18892	1.1
127.05124	27.3
128.03542	43.1
131.03729	1.7
137.07190	11.5
138.02690	1.2
145.06189	100.0
155.08279	2.5
157.06203	15.2
157.07378	2.0
158.06137	1.2
169.29626	1.2
175.08658	1.4
176.39926	1.1
199.07303	1.7
201.05199	2.2
225.05180	56.3
227.06702	1.8
243.06232	45.5
261.07199	6.6
261.09415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49338	1.2
57.26418	1.3
59.01376	2.0
70.02980	6.6
71.01390	6.3
71.05024	1.8
72.04523	1.8
73.02934	6.6
74.02483	2.2
84.04528	13.3
96.00911	73.3
97.02961	2.6
98.02449	1.9
101.06099	3.3
109.04017	2.0
116.03559	1.9
121.97054	1.7
125.03515	2.4
127.05123	20.6
128.03534	36.3
137.07182	13.0
145.06198	100.0
146.53171	1.5
155.08292	2.0
157.06158	16.1
199.07265	3.7
199.91588	1.7
201.05133	1.7
225.05191	62.1
243.06253	48.2
261.07281	8.1
261.09833	34.6
269.16702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0769
Annotation	Terrestrol C
Peak:m/z	Relative Intensity
51.89690	0.4
52.87303	0.4
57.75758	0.4
58.02996	2.0
63.58201	0.5
71.01396	0.4
74.02518	0.7
81.78098	0.4
84.04529	0.5
85.02955	5.3
87.00866	0.6
93.03450	1.2
97.02921	0.7
98.02533	0.6
103.88885	0.5
111.04512	2.7
116.03525	0.8
119.05017	100.0
121.02943	13.2
126.38736	0.5
128.03525	2.0
131.03746	2.7
132.04567	4.0
144.04599	0.6
146.06117	0.6
157.07698	2.5
158.06076	3.2
158.07292	1.0
159.08142	2.0
163.02644	0.9
163.04016	25.1
169.06572	0.8
172.05179	1.7
173.06052	0.7
173.09665	0.8
175.08711	3.8
187.07668	6.5
199.07652	2.4
217.08617	6.8
219.07693	3.2
261.07629	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0771
Annotation	Terrestrol C
Peak:m/z	Relative Intensity
55.70720	0.5
58.02975	4.8
59.01382	24.5
68.35365	0.5
71.01379	11.3
74.02472	3.7
81.58717	0.5
84.04570	2.4
85.02941	7.9
89.02429	9.8
92.05051	0.8
93.03451	3.4
95.01373	0.8
97.02946	0.8
98.02480	3.7
101.02425	4.4
111.04528	1.3
113.02444	3.6
116.03548	2.6
119.03533	3.7
119.05019	100.0
121.02953	12.0
125.09753	1.0
127.11267	2.5
128.03568	7.1
130.06642	0.6
131.03758	10.0
132.04558	12.7
144.04565	3.9
146.06050	1.0
157.07693	6.9
158.06125	9.2
163.04013	19.2
169.06592	1.2
171.08243	0.6
172.05270	2.3
173.06081	2.4
173.09671	0.8
175.08749	11.0
181.12329	1.4
187.07669	5.4
189.06915	0.7
191.60660	0.6
199.07443	0.8
199.13440	3.5
201.06731	1.0
201.11345	33.4
207.10229	1.1
217.08769	4.5
217.14482	1.4
219.07735	7.3
225.11339	9.2
243.12347	6.1
261.07584	51.4
261.13364	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0769
Annotation	(+)-(2S',3'R)-3-Hydroxymarmesin
Peak:m/z	Relative Intensity
57.03452	1.3
59.01389	5.2
83.04318	0.6
85.02947	100.0
123.09538	0.6
141.73761	0.6
147.08168	3.9
155.34627	0.7
157.06584	15.1
175.07646	7.7
199.07643	3.2
217.08705	34.3
244.11603	0.6
255.84273	0.6
261.07718	17.7
261.13306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65768	0.9
67.21029	0.9
73.02971	1.0
85.02944	1.7
97.02933	9.7
115.04000	46.3
117.03422	6.5
118.51584	1.0
119.05017	100.0
119.08641	2.1
137.95708	1.0
145.02953	79.9
162.92352	1.0
163.04012	87.3
261.15109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.077
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.80496	0.6
72.13072	0.8
77.21811	0.7
82.60617	0.7
85.02940	1.8
89.30001	0.8
93.03427	1.4
111.04535	1.5
119.05019	100.0
121.02959	8.1
138.05597	7.4
145.06490	1.1
158.06139	1.0
158.07336	1.7
159.08147	0.9
163.04018	71.4
169.06546	1.0
173.09720	10.1
175.08673	0.9
187.07639	3.7
197.45680	0.8
217.08655	12.5
261.07684	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0769
Annotation	(+)-(2S',3'R)-3-Hydroxymarmesin
Peak:m/z	Relative Intensity
56.40982	0.6
58.02964	0.7
59.01118	1.0
59.01371	8.8
74.02461	3.2
75.00854	1.2
85.22945	0.7
103.00386	3.1
113.06064	1.8
116.03469	0.9
119.05010	10.3
125.09654	0.9
131.03784	2.8
132.04070	1.2
143.05032	8.6
145.02942	4.0
145.06532	1.7
147.04527	1.1
157.06609	5.5
157.08698	1.4
158.07315	0.8
159.08112	11.6
163.04024	1.8
171.08127	1.8
171.10225	1.0
173.06140	0.8
173.09694	3.9
175.09766	3.3
187.07648	3.4
189.05542	1.7
217.08731	19.4
229.01392	1.3
243.12257	3.5
261.07684	100.0
261.13470	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93891	2.3
58.02985	22.6
60.98984	2.3
74.02454	2.8
75.00882	3.1
84.04554	9.2
86.07068	2.2
96.00925	22.0
128.03531	12.6
131.03746	25.2
132.04552	13.0
137.17270	2.2
145.06219	14.8
146.06161	3.6
157.07736	24.2
158.06091	30.0
175.08754	40.4
189.06705	4.7
201.06554	2.5
217.09776	3.6
219.07753	25.7
221.54060	2.6
225.05220	13.1
243.06116	6.1
258.01843	2.4
261.08829	100.0
261.15329	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	16.1
58.83043	1.1
59.01384	14.2
62.51778	1.2
66.27821	1.2
70.03003	2.0
71.01391	6.7
71.05045	1.9
72.99315	1.3
74.02477	15.8
75.18401	1.0
84.04562	11.1
85.02953	7.5
85.51368	1.1
86.02483	2.7
89.02441	7.6
92.05062	8.1
92.10638	1.2
98.02492	9.5
101.02462	1.7
110.02489	2.0
115.04008	1.4
116.03545	8.9
116.05033	1.6
118.06625	1.5
119.05027	16.7
128.03542	26.0
130.06555	1.3
131.03746	33.4
132.04562	52.6
144.04596	11.5
145.04111	6.4
146.06149	3.0
156.01646	1.2
157.07713	28.3
158.06114	37.3
163.03963	1.3
175.08788	38.7
189.06761	3.0
199.08809	7.2
199.13451	2.0
201.06805	7.3
201.11337	32.3
207.10393	1.8
217.09967	6.4
217.14546	1.7
217.26976	1.3
219.07780	34.1
225.11342	7.5
243.07806	5.3
243.12442	6.4
261.08881	100.0
261.13232	25.8
284.67142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	19.1
59.01377	5.5
63.81180	0.9
70.04624	0.9
70.72711	0.8
74.02477	6.7
75.00808	1.0
75.09764	0.9
84.04521	1.3
86.06110	1.3
87.00851	1.1
92.05037	1.3
116.03509	2.6
128.03532	6.5
131.03767	21.3
132.04556	9.2
133.11615	1.1
144.04570	2.2
146.06114	4.5
157.07718	22.1
158.06107	31.9
175.08781	36.0
189.06696	5.2
201.06749	2.1
217.09836	6.4
219.07780	29.7
257.21768	1.1
257.73798	1.1
261.08826	100.0
261.17053	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50759	1.3
56.94004	1.2
58.02980	19.2
59.01350	1.2
61.34445	1.3
64.83659	1.1
69.22917	1.2
74.02471	13.1
84.04536	11.4
86.02454	1.5
88.51478	1.1
90.42018	1.5
92.05067	6.2
98.02459	9.5
110.02415	1.6
116.03527	8.1
118.03014	2.2
119.04993	11.0
128.03529	27.1
131.03758	31.7
132.04556	52.7
140.05023	2.5
144.04572	11.0
146.06136	2.2
157.07687	31.4
158.06113	35.4
163.04051	2.2
175.08752	39.3
182.80406	1.4
199.08798	7.9
201.06699	5.0
205.78661	1.4
217.09866	6.7
219.07790	28.7
243.07692	3.0
261.08823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0881
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
53.92685	1.4
57.46556	1.4
58.02982	27.3
59.01387	2.0
69.81338	1.3
74.02461	21.5
74.75928	1.4
84.04555	14.2
86.02470	2.6
92.05050	7.2
98.02471	11.7
99.82188	1.5
110.02506	2.8
116.03529	12.7
118.06615	2.0
123.69306	1.7
128.03510	26.9
130.06578	2.8
131.03764	44.3
132.04550	70.7
140.05034	3.1
140.17038	1.5
144.04547	17.9
146.06105	6.6
151.56844	1.9
157.07703	34.1
158.06100	46.0
175.08774	48.3
189.06714	3.1
199.08815	3.7
201.06711	8.4
217.09843	10.1
219.07751	37.1
243.07805	6.4
261.06006	3.3
261.08804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	19.1
59.01377	5.5
63.81180	0.9
70.04624	0.9
70.72711	0.8
74.02477	6.7
75.00808	1.0
75.09764	0.9
84.04521	1.3
86.06110	1.3
87.00851	1.1
92.05037	1.3
116.03509	2.6
128.03532	6.5
131.03767	21.3
132.04556	9.2
133.11615	1.1
144.04570	2.2
146.06114	4.5
157.07718	22.1
158.06107	31.9
175.08781	36.0
189.06696	5.2
201.06749	2.1
217.09836	6.4
219.07780	29.7
257.21768	1.1
257.73798	1.1
261.08826	100.0
261.17053	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97377	1.4
53.68209	1.6
56.40656	1.6
58.02760	1.4
58.02985	18.9
59.01402	1.9
60.94205	1.8
61.97455	1.9
74.02479	19.7
77.15178	1.9
77.62637	1.6
79.65253	2.3
84.04545	13.0
86.02460	2.0
92.05077	4.5
95.70379	2.0
98.02494	8.7
116.03536	9.0
118.03061	2.3
119.04996	3.7
121.72015	2.4
128.03508	26.2
128.04309	1.8
131.03751	41.7
132.04549	54.3
138.37762	2.0
140.05109	2.6
144.04555	13.9
157.07687	21.6
158.06114	32.5
175.08757	44.4
199.08824	7.9
201.06783	4.2
217.09821	4.1
219.07732	32.2
243.07765	2.7
261.08859	100.0
275.19113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
58.50835	1.1
59.01380	21.9
59.34772	1.0
60.69334	1.0
71.01389	6.5
89.02451	2.9
99.00867	2.8
119.03551	1.9
119.05045	12.4
125.09705	2.7
127.11263	2.5
135.40863	1.1
146.39412	1.3
155.10817	1.4
163.04050	2.2
165.09213	2.7
181.12347	5.6
199.09676	1.7
199.13425	14.0
201.11343	100.0
203.24062	1.3
207.10187	9.0
215.12834	1.5
217.14418	6.3
225.11331	28.5
229.49107	1.8
233.49371	1.4
241.10268	1.1
243.12401	20.6
261.07739	8.4
261.13449	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
52.71358	0.7
55.40330	0.8
58.02983	1.3
59.01376	1.2
61.58125	0.7
71.01381	4.4
72.99263	1.2
74.02459	5.6
75.44607	0.8
77.88528	0.8
82.32634	0.9
87.00889	1.2
96.00918	3.8
99.48331	0.8
102.01961	2.1
114.01953	5.7
125.09708	31.7
127.11175	0.8
136.85487	0.9
139.12047	1.0
145.08574	0.9
169.12343	1.0
171.10262	36.4
181.12358	12.9
187.09758	30.1
189.05109	1.0
197.11852	19.9
199.13402	4.2
207.10382	1.2
225.11351	4.6
243.12392	35.3
261.13446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
56.83189	0.6
58.67884	0.5
59.01382	14.8
63.08102	0.6
64.46526	0.7
69.47229	0.6
73.02933	1.0
74.02467	1.1
74.99152	0.6
87.00864	1.3
99.00890	1.5
125.09723	4.4
127.11277	4.7
139.11223	0.9
155.10765	2.9
159.02876	0.8
165.09215	1.2
171.10237	1.3
176.96643	0.9
181.12358	3.9
183.07869	0.8
183.10246	1.7
184.13606	0.7
199.09781	3.2
199.13428	9.4
201.11339	100.0
207.10265	4.7
217.14342	1.0
225.11339	14.6
243.12326	13.3
249.51172	0.9
261.13446	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1345
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
51.80740	0.5
53.75032	0.4
57.74720	0.5
59.01394	0.6
62.17987	0.4
66.80384	0.5
71.01388	0.5
71.25675	0.5
72.29588	0.5
75.00856	0.6
80.34483	0.4
81.11218	0.5
91.04005	0.7
97.06580	7.0
100.61257	0.5
101.99997	0.5
116.13985	0.5
123.08145	2.6
125.09716	100.0
129.64175	0.6
143.10765	0.9
160.54572	0.6
169.08676	5.6
187.09766	90.0
222.02986	0.5
261.13458	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30965	2.3
50.59330	1.8
54.42809	1.7
55.01856	2.2
56.73524	1.7
59.01382	12.3
62.56951	1.8
63.24803	1.8
71.05018	100.0
71.05414	3.6
83.05003	2.5
97.06580	38.7
107.08674	3.0
111.08124	4.4
111.64362	1.9
123.08127	8.3
133.10210	9.8
153.80370	2.1
162.10400	2.1
163.11313	3.9
217.15956	29.9
261.11618	1.7
261.12524	1.9
261.15045	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97248	0.9
52.08319	0.9
57.03440	1.3
65.65222	1.0
98.54637	1.1
110.93880	1.0
124.36041	1.1
140.91924	1.1
162.38489	1.2
164.07166	2.0
165.07494	2.2
173.06076	1.7
183.11794	12.1
199.14969	21.1
201.12878	1.5
217.05026	4.8
217.15997	7.0
237.41165	1.2
245.10544	1.2
261.03931	1.1
261.14981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.051
Annotation	Hippadine
Peak:m/z	Relative Intensity
55.01164	0.7
59.68250	0.7
64.92680	0.7
71.48860	0.6
77.32968	0.7
136.51926	0.8
160.09337	0.8
205.05394	1.1
206.06026	3.3
215.96878	0.8
216.04568	6.9
218.41547	0.8
222.05635	4.8
233.04837	66.8
234.05583	35.6
260.03601	9.1
261.04251	4.4
262.05106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80149	0.8
54.58815	0.7
59.01370	1.3
63.05910	0.6
70.02962	1.2
72.99293	1.4
77.46353	0.8
84.04562	1.0
96.00908	39.7
96.99347	0.8
97.01273	1.1
102.05587	10.7
108.81745	0.9
110.02433	3.6
112.07664	4.0
114.01928	6.9
115.08066	0.7
128.03535	100.0
138.05496	1.1
144.39575	0.8
144.94487	0.8
146.04610	20.8
170.04601	1.4
177.93280	0.8
182.04608	4.6
186.07735	0.8
188.05627	1.1
200.05710	1.6
226.03596	21.8
226.05635	1.8
244.04623	22.3
244.06804	1.3
262.05798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46722	0.8
70.02972	1.3
71.01360	1.1
72.00910	3.6
82.83901	0.8
84.23624	0.8
96.00905	31.3
96.04573	1.2
96.99276	1.0
98.81205	0.8
102.05595	16.6
112.07678	2.1
114.01952	7.6
114.05547	0.8
115.00374	1.1
128.03529	100.0
138.05632	1.3
146.04588	45.4
156.06641	1.7
158.04556	6.5
174.56125	1.1
175.34377	1.0
182.04517	1.9
196.81642	0.8
200.05693	1.4
201.40843	1.0
202.03583	1.7
226.03561	19.4
244.04640	22.1
262.05658	5.8
276.83472	0.9
283.76865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96722	0.8
57.86880	0.8
59.01377	1.3
62.92142	0.9
70.02978	2.3
72.99302	1.6
82.02967	1.0
84.04516	1.0
96.00909	43.1
96.99304	1.3
102.05606	10.9
110.02486	4.3
112.07690	5.2
114.01954	8.3
128.03539	100.0
131.95984	0.9
136.04027	1.4
138.05652	1.2
146.04607	25.7
156.06664	1.2
182.04597	4.3
200.05731	1.6
226.03601	27.4
244.02635	1.6
244.04668	25.1
262.05698	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87182	0.7
55.16085	0.7
63.38765	0.9
72.00914	1.1
73.02944	1.2
75.83295	0.7
82.02983	1.2
85.75281	0.8
88.27722	0.9
96.00912	7.7
97.01220	1.5
98.15382	0.8
100.92338	0.8
109.01685	100.0
114.01970	6.3
118.06638	2.0
127.02725	4.0
147.04564	1.9
147.08162	1.0
164.07187	3.8
173.06009	1.2
174.09296	1.2
175.07652	1.4
176.03514	1.9
176.07188	7.0
200.07195	5.5
202.05070	1.2
218.08174	1.1
244.06175	39.3
252.28725	1.0
260.03961	1.0
262.07199	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94025	1.0
62.72660	0.9
63.61499	0.8
64.98567	1.0
71.01373	13.8
71.58759	1.0
92.22566	1.3
109.28957	1.1
115.00368	30.4
128.03537	1.3
131.05016	10.4
146.06120	100.0
147.04535	16.9
156.08206	7.6
174.09222	6.0
188.10059	1.5
191.49599	1.0
200.07199	10.6
216.49086	1.0
218.04967	1.3
218.08237	57.9
262.07217	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83101	0.7
60.07439	0.7
67.47747	0.8
72.00916	1.1
82.03020	1.3
91.05537	1.0
96.00921	5.9
96.37944	0.8
109.01692	100.0
114.01971	5.2
118.06652	1.4
120.05318	1.0
127.02757	2.0
131.05031	1.0
147.04515	2.1
147.08163	1.3
164.07166	4.6
174.09241	1.7
175.07625	1.7
176.03534	1.9
176.07138	6.5
190.08618	0.9
200.07260	5.9
202.05075	1.7
218.08264	1.4
232.76509	1.1
244.06172	39.2
262.07220	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0722
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
50.81668	0.6
56.40731	0.6
60.23225	0.6
62.65313	0.6
69.33902	0.6
70.74903	0.7
71.01383	9.8
83.83014	0.6
92.28855	0.7
115.00362	18.8
116.00120	0.8
131.04991	5.9
133.99606	0.8
145.38869	0.8
146.06122	100.0
147.04524	17.5
150.04504	0.8
150.86403	0.8
156.08235	6.6
174.09250	6.1
176.70380	0.8
200.07191	7.9
218.08240	37.5
262.07242	50.0
262.13803	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06631	0.5
61.80300	0.7
70.02955	0.7
72.00936	1.2
73.02931	0.8
81.19974	0.6
82.02984	1.6
89.56409	0.6
90.38232	0.7
91.05540	0.9
96.00885	5.8
100.95069	0.7
101.13599	0.6
109.01687	100.0
114.01945	5.6
118.06622	1.2
127.02769	2.8
133.06538	0.7
147.04486	3.5
147.08124	1.2
164.07176	4.8
175.07648	1.6
176.07153	8.2
182.06145	0.8
190.08745	0.8
200.07216	6.3
202.05153	1.5
222.88776	0.8
230.00905	1.0
244.06151	38.9
262.07278	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53571	0.6
59.01368	0.7
66.03474	1.3
71.01378	5.2
81.69543	0.7
94.02979	100.0
98.54537	0.8
115.00370	9.2
131.05048	5.0
146.06116	38.2
147.04539	6.4
156.08217	3.5
174.09311	1.6
180.06679	30.3
200.07155	3.8
218.08212	22.5
235.59596	0.8
244.06285	1.3
262.07202	27.4
262.13693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35443	0.7
59.01389	0.9
66.42293	0.8
67.42821	0.7
72.00916	1.3
82.02979	1.3
82.82887	0.7
82.98423	0.9
91.05500	0.9
92.23043	1.2
96.00920	6.8
96.71059	1.0
98.02439	0.9
109.01690	100.0
114.01991	4.3
116.66125	0.8
118.06608	2.0
119.05038	1.1
127.02730	1.3
147.04527	2.1
147.08144	0.9
164.07130	4.8
172.07698	1.1
174.09273	1.3
175.07703	1.2
176.07181	6.9
190.08812	1.2
200.07188	5.3
202.05066	2.0
205.93932	0.9
211.99149	0.9
218.08217	1.0
244.06163	39.8
244.08603	1.5
262.03537	1.3
262.07443	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75893	1.4
59.01385	2.2
75.00860	2.1
84.04534	18.2
86.02481	4.0
87.00849	13.5
88.04022	19.2
89.02435	39.7
100.10123	1.8
102.05595	8.6
104.03513	10.1
110.06097	8.2
112.04030	2.8
126.05575	18.5
128.07173	39.6
130.08749	3.8
136.71184	1.9
136.87781	1.9
156.06734	2.3
164.07166	10.0
172.06157	100.0
174.07704	38.7
176.05620	2.6
187.92258	1.9
190.05493	2.9
190.07222	79.8
190.08868	3.6
218.08582	1.8
262.06680	3.0
262.09341	78.4
275.88797	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0933
Annotation	4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline
Peak:m/z	Relative Intensity
57.92398	1.6
58.76152	1.7
62.27871	1.7
65.38204	1.6
78.95892	1.8
84.04545	19.4
86.02470	2.3
86.06129	3.3
87.00866	10.0
88.04031	17.0
88.09090	2.0
88.32934	2.1
89.02443	49.9
92.44075	1.8
101.12689	2.0
102.05591	9.6
103.32909	2.1
104.03548	13.2
110.06097	8.4
112.04032	10.9
114.05600	4.2
124.28779	1.9
126.05611	19.1
128.03514	3.1
128.07166	42.1
130.05103	52.0
130.08739	9.8
146.02556	1.9
154.05029	2.0
156.06633	2.7
172.06165	100.0
172.09807	2.7
174.07716	44.1
176.05600	2.4
190.07239	80.3
244.08208	3.4
247.46368	2.3
256.98013	1.9
259.74808	2.0
262.09332	87.3
262.12100	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.9729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95509	0.5
56.54115	0.5
59.01374	2.8
61.58135	0.6
69.49654	0.6
71.01373	1.1
72.87190	0.6
74.77398	0.5
78.95902	92.7
82.32747	0.5
96.96953	43.6
101.02460	1.1
107.83537	0.6
147.06415	0.8
158.92618	0.8
164.99602	4.3
183.00603	0.7
262.97287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0563
Annotation	Ancistroquinone D
Peak:m/z	Relative Intensity
57.03450	0.4
59.01386	6.3
62.49669	0.4
71.01382	5.9
73.02946	2.3
76.89806	0.4
78.95929	1.0
79.02159	0.4
80.96525	0.4
83.01376	0.8
85.02959	2.5
89.02451	2.6
95.01433	0.4
97.02969	0.4
101.02442	5.6
101.06063	0.5
108.02228	1.9
109.02947	100.0
113.02433	3.3
119.03496	1.0
136.01645	0.6
140.14630	0.5
161.04558	1.6
175.04092	0.5
179.05605	0.5
204.00642	0.8
219.06575	0.7
233.59943	0.4
235.05869	0.5
248.03165	0.6
263.05630	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96366	0.5
57.03457	0.8
58.87246	0.4
58.87546	0.4
59.01382	8.1
62.00073	0.4
62.54884	0.4
63.81182	0.4
64.69374	0.5
71.01376	7.4
71.05006	1.8
72.99313	0.5
73.02944	0.6
73.07983	0.4
74.06065	0.4
75.00878	3.8
76.27773	0.4
80.96519	2.6
85.02941	9.8
87.00892	0.5
89.02447	3.4
97.02945	21.5
99.00876	2.4
101.02441	6.9
113.02456	2.4
115.00352	1.1
115.04002	100.0
129.01909	1.0
142.05237	0.6
147.03012	5.5
149.90712	0.5
153.35283	0.5
161.04608	1.2
165.04047	4.0
165.05363	0.5
173.04585	1.8
191.05676	0.5
263.03564	0.8
263.07693	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Kinsenoside
Peak:m/z	Relative Intensity
55.01868	0.7
57.03436	1.3
58.00570	0.5
59.01383	24.7
69.79832	0.5
71.01006	0.9
71.01384	20.2
71.05018	2.4
72.99301	0.8
73.02945	5.1
75.00861	4.9
83.01385	3.3
85.02949	17.4
89.02444	10.0
95.01378	1.3
97.02946	21.1
99.00879	5.0
101.02439	20.0
113.02445	11.5
115.04003	100.0
119.03505	4.5
129.01927	3.8
135.18674	0.6
147.03003	10.2
161.04559	7.0
165.04062	2.9
174.79967	0.5
236.61060	0.6
263.07724	17.8
263.11380	4.0
278.55325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22800	0.5
57.03446	0.7
59.01384	0.7
67.26310	0.4
71.01379	2.0
71.05024	2.4
72.99327	0.7
75.00866	4.9
75.52110	0.5
76.51161	0.5
85.02945	9.6
97.02946	20.4
99.00869	4.3
115.04005	100.0
129.01952	3.2
142.16783	0.5
147.02994	9.0
165.04057	2.1
238.97337	0.6
258.05737	0.5
263.07745	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Kinsenoside
Peak:m/z	Relative Intensity
50.06236	0.5
55.01876	5.5
56.36846	0.5
57.03452	5.5
58.00596	3.3
59.01383	46.6
64.66400	0.5
69.03461	0.8
71.01378	72.4
71.05022	4.4
72.99303	8.4
73.02943	27.6
75.00874	5.1
83.01379	12.1
83.05030	0.7
85.02944	49.2
87.00887	3.9
87.04475	0.6
89.02435	10.5
90.19376	0.5
92.58693	0.5
95.01369	6.4
97.02940	23.8
97.03571	0.8
99.00877	14.1
99.04495	0.8
101.02441	65.3
101.06078	33.2
105.01945	1.3
113.02446	34.3
115.04002	100.0
119.03512	1.3
125.02478	1.4
127.19075	0.5
129.01920	6.3
143.03505	2.3
147.03003	9.7
159.02983	7.1
161.04561	26.2
165.04025	3.0
191.05588	0.7
263.07700	15.5
263.11353	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0927
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.63818	0.9
55.01902	1.0
57.03429	0.9
59.01384	12.6
66.61778	0.9
70.71846	0.9
71.01385	10.8
71.05020	1.3
72.81006	0.9
73.02942	5.3
74.80471	0.8
77.56594	0.9
83.01383	1.0
85.02935	8.1
89.02432	4.0
97.02915	1.6
99.00887	1.2
101.02432	9.7
101.06059	1.4
111.04498	1.3
113.02436	5.0
122.03786	1.3
125.06089	2.1
133.02960	10.9
134.03752	12.7
135.04523	41.5
136.05345	2.1
137.02438	1.7
138.06876	4.2
139.07668	6.0
148.05254	1.2
151.07681	10.4
152.08424	2.2
153.09247	5.2
161.02454	96.0
161.04584	3.8
178.02686	2.5
179.03519	9.3
201.12910	7.7
204.11569	11.7
219.10326	1.0
219.13890	13.8
260.31274	0.9
263.09274	100.0
283.21970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0927
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
59.01153	1.3
59.01385	25.3
71.01382	22.0
73.02936	7.4
83.01385	1.7
85.02925	12.3
87.00869	1.6
89.02451	10.2
99.00867	3.4
101.02435	20.1
101.06068	7.5
113.02447	14.9
115.32168	1.2
121.02939	5.7
122.88478	1.1
130.13358	1.4
133.02934	11.1
134.03743	89.3
135.04472	5.3
136.47400	1.4
137.02438	32.8
139.04015	8.9
143.03468	1.4
144.14883	1.4
150.03203	2.7
161.02449	42.4
161.04579	8.8
171.92993	1.6
178.02737	38.5
189.09219	2.2
219.10249	11.4
233.08142	2.5
263.09244	100.0
263.11420	4.6
272.70270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0927
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
59.01384	11.5
63.90808	0.8
71.01382	10.6
71.05013	1.2
73.02943	1.5
79.62522	0.8
80.81914	0.8
81.03458	5.2
81.22705	0.7
83.01353	1.1
85.02934	3.8
89.02419	4.7
99.04507	1.0
101.02460	7.2
101.06074	1.4
109.02937	1.8
113.02450	3.4
117.03448	10.3
117.05543	1.5
118.04227	4.2
119.05018	51.8
121.02934	4.1
123.04449	0.9
145.02957	100.0
161.04570	2.0
162.03223	2.0
163.04028	23.7
172.56580	1.0
204.80177	0.8
219.10318	1.1
263.06284	2.8
263.09253	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0926
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
50.12831	0.6
55.01868	1.1
57.03431	0.8
59.01110	0.8
59.01386	17.3
59.36063	0.6
60.30285	0.6
67.69374	0.8
71.01377	15.0
71.05034	0.7
73.02946	5.4
78.95914	0.7
80.52966	0.6
81.03441	4.3
83.01378	1.3
84.02146	0.8
85.02950	7.6
87.95385	0.6
89.02438	6.8
91.23167	0.7
95.01399	0.8
99.00841	1.6
99.04546	1.3
101.02435	15.5
101.06075	1.5
113.02437	8.2
117.03475	8.5
118.04230	3.7
119.03634	1.4
119.05016	48.6
120.43056	0.8
121.02927	3.5
122.37602	0.9
123.04523	0.9
133.02960	0.9
145.02953	100.0
157.44905	1.0
159.02980	1.4
161.04572	5.7
162.03258	1.9
162.61307	0.9
163.04021	20.6
217.36865	0.9
250.43436	0.8
263.09213	52.0
263.11359	2.6
265.60532	0.8
272.45862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0926
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.47408	0.5
54.30298	0.5
57.47239	0.6
59.01383	6.3
70.89279	0.6
71.01389	8.3
73.02940	1.4
81.03455	3.4
84.02166	1.4
85.02936	4.1
88.02921	0.6
89.02438	2.6
90.45604	0.6
93.03461	2.4
94.66460	0.5
95.05022	0.7
99.04553	0.9
100.56771	0.6
101.02454	4.9
105.03421	0.8
113.02448	3.4
113.06084	0.7
116.02625	0.7
116.89461	0.6
117.03465	18.8
118.04238	35.0
119.03485	0.9
119.05023	16.5
121.02947	20.5
123.04533	6.3
129.61493	0.7
133.02989	4.6
134.03810	1.7
145.02953	100.0
161.04568	1.5
162.03233	23.3
163.04008	5.8
183.08258	0.8
189.09270	0.9
201.09221	2.6
219.08508	0.7
219.10349	6.9
263.09274	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0961
Annotation	3-(6'-Methylthio)hexylmalic acid
Peak:m/z	Relative Intensity
59.01379	9.9
59.20010	0.6
64.01945	0.7
71.01376	7.9
73.02930	3.9
74.28304	0.8
79.95737	100.0
80.96521	1.9
85.02949	4.4
89.02448	4.2
97.78007	0.9
101.02449	8.9
113.02442	4.9
115.05116	1.8
115.30866	0.8
142.53378	0.9
147.00539	0.8
160.01637	1.1
161.04538	3.7
161.05812	0.9
175.04070	0.9
208.12738	0.9
219.10228	2.0
263.09592	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01176	2.1
55.01881	3.7
57.03463	3.0
59.01099	4.6
59.01383	100.0
60.85545	2.3
70.42308	2.4
71.01375	88.8
71.13040	2.4
73.02932	21.5
73.03302	2.6
74.00548	2.3
74.61046	2.5
81.73058	2.3
83.01379	13.1
85.02950	40.5
88.01031	2.6
89.02437	50.1
89.02898	3.8
93.25911	3.1
95.01395	3.3
99.00870	3.6
101.02448	76.6
105.14378	2.9
113.02420	39.4
119.03490	16.9
143.03479	2.7
161.04520	21.2
256.35876	3.1
263.11365	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71995	1.6
55.01876	4.7
57.03440	2.5
58.32780	1.5
59.01380	100.0
69.54549	1.9
71.01372	69.8
73.02947	24.4
83.01375	10.7
85.02942	34.9
89.02432	50.4
95.01339	3.7
95.04951	1.8
98.79161	1.8
99.00862	4.5
101.02438	77.5
107.35288	1.8
113.02440	46.5
119.03493	19.6
143.03468	3.0
159.02948	2.7
161.04549	24.5
169.26556	1.9
185.37035	2.1
201.77919	2.3
245.05751	2.3
263.11313	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77670	1.9
55.01880	3.8
57.03444	5.8
58.00591	3.4
59.01381	60.0
71.01373	100.0
71.05014	3.0
72.99300	2.7
73.02942	41.6
75.47797	2.0
78.44987	2.5
83.01380	21.9
85.02940	58.0
86.52188	2.6
87.00867	2.1
89.02430	11.5
95.01364	10.5
96.63024	2.3
97.02933	2.7
99.00875	14.0
101.02439	84.0
101.06071	32.6
101.67175	2.2
113.02439	50.1
128.38910	2.1
147.88965	2.5
159.02991	5.5
161.04546	38.5
196.46570	2.3
210.99950	2.4
263.11353	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	6-Hydroxyisoquadrone
Peak:m/z	Relative Intensity
55.98159	1.7
57.03458	3.6
59.01381	47.6
71.01374	53.3
73.02943	12.5
83.01386	4.7
85.02947	27.5
87.00884	2.3
89.02428	20.3
95.01384	3.7
97.02930	9.9
99.00871	3.3
101.02438	39.1
101.06075	5.1
104.99402	2.0
108.05796	2.6
109.02931	4.7
111.04498	5.3
113.02432	23.5
113.06071	11.1
119.03479	9.5
122.03717	2.8
123.08162	8.7
125.06068	22.1
129.13014	2.0
135.84024	2.4
136.05301	5.3
136.10045	2.3
137.06085	4.4
138.06863	13.4
139.07648	34.1
148.05321	4.5
149.06010	3.0
151.07645	62.8
152.04771	3.1
152.08435	26.8
153.09239	19.2
161.04561	19.1
161.09712	8.2
163.07631	15.6
167.07144	2.4
173.97826	2.3
186.10551	2.7
189.09064	2.5
201.12842	35.9
203.10779	12.8
204.11559	75.3
217.12439	2.5
219.13892	100.0
261.45087	2.6
263.12921	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
59.01378	39.9
69.82039	1.3
71.01376	29.9
71.05041	1.5
73.02943	10.9
81.03452	2.2
83.01358	5.3
83.05035	2.4
84.41972	1.2
85.02927	15.6
89.02441	12.1
93.03451	6.9
95.01380	2.3
95.04998	10.0
97.02930	1.6
99.00880	2.3
101.02430	30.7
101.06086	2.2
106.04222	1.7
109.06582	2.3
111.67692	1.4
111.91263	1.2
113.02428	17.0
119.03522	2.9
119.05023	3.4
121.06602	2.5
123.08189	1.7
123.89049	1.4
137.06142	2.0
147.08171	1.5
161.04523	10.7
168.02774	1.4
172.31506	1.5
173.09695	1.8
175.11130	1.6
191.14569	5.5
201.12904	11.9
219.10417	2.1
219.13898	3.4
235.13382	3.3
245.11841	5.8
263.12958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97865	1.5
55.01875	4.2
57.03450	3.1
58.00595	2.2
59.01101	3.5
59.01381	60.5
71.01379	56.2
71.05041	2.3
73.02953	19.6
83.01386	14.1
85.02938	23.7
87.00896	2.0
89.02444	16.7
95.01382	2.3
97.02895	5.6
99.00883	3.9
101.02444	53.5
101.06071	15.6
107.36575	1.9
109.06568	2.4
113.02445	31.4
119.03504	8.6
121.10246	3.1
135.20601	1.9
145.97983	1.7
159.02983	3.5
161.04552	19.0
162.06842	12.2
175.14906	10.5
216.63269	1.9
219.13907	35.8
242.29601	1.7
245.11786	11.0
246.51326	1.8
263.12885	100.0
263.16501	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01383	8.8
59.24300	1.1
63.70076	0.9
71.01388	5.2
84.22750	1.0
95.05038	1.5
97.06586	9.9
101.02432	4.3
101.06119	1.3
111.04502	2.4
111.08119	5.3
113.02458	1.3
113.09706	1.5
121.10219	10.7
125.09712	1.3
135.08107	1.2
139.07645	1.5
145.45506	1.1
147.08208	2.4
149.09698	2.0
151.11296	5.0
153.38550	1.1
157.08710	6.0
161.04610	1.3
165.12823	1.8
167.10846	1.3
169.08658	1.1
177.21298	1.1
219.17514	9.1
245.15463	4.5
263.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01382	10.6
59.51286	1.0
71.01365	2.5
82.34067	1.0
83.05038	1.6
89.02407	1.8
95.05022	4.9
97.06586	24.9
100.26009	1.1
101.02433	4.9
113.02444	1.0
113.09710	2.1
115.45421	0.9
121.10223	26.4
147.08144	6.3
157.08728	8.6
165.12801	2.2
169.08661	1.9
201.16547	1.7
209.04073	1.1
219.17517	5.8
245.15419	2.2
263.16541	100.0
270.81393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1655
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.94580	0.9
55.01884	1.0
59.01387	13.1
71.01369	2.7
71.04647	2.0
71.05019	52.2
74.84230	1.1
79.23323	0.9
79.31353	0.9
83.04996	2.2
95.27257	1.3
97.06580	20.5
101.02422	2.1
123.08168	2.3
133.06619	1.8
135.11739	1.5
179.10815	1.5
191.10857	5.5
207.13892	2.7
219.17645	13.6
255.84027	1.3
263.16534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.81189	0.6
56.97026	0.6
58.02397	0.8
59.01380	3.5
66.13651	0.8
71.01379	3.2
85.02893	0.9
89.02417	1.3
101.02409	3.5
113.02410	1.0
119.72079	0.7
129.65341	0.7
134.43852	0.7
161.04454	0.7
168.45221	0.8
189.63077	0.9
263.20178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.91459	0.5
53.64886	0.5
53.86901	0.5
59.01373	2.3
69.37582	0.6
71.01386	0.9
76.82434	0.6
85.94944	0.5
101.02423	0.7
101.58125	0.6
131.42599	0.8
219.21196	0.8
232.22356	0.7
241.87198	0.7
249.67923	0.8
261.18555	0.8
263.20181	100.0
266.08978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63905	1.3
69.03444	1.4
72.99317	18.7
75.25207	1.1
83.00077	1.6
91.01888	9.7
93.03455	100.0
106.02963	5.6
123.00887	16.6
124.04008	9.2
131.03769	1.4
134.06143	2.5
135.00871	1.9
137.01443	2.2
137.02449	48.0
146.02568	2.0
150.01973	34.7
156.82138	1.3
161.26245	1.3
165.03070	21.0
175.02765	1.3
189.72900	1.3
190.03909	2.9
202.41583	1.2
264.02631	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
66.89618	2.3
68.72634	2.3
70.02991	2.9
71.01368	3.1
72.00907	4.8
72.04552	14.1
72.05524	2.1
72.94507	2.1
82.02982	71.1
83.01389	2.5
91.05523	9.8
98.02468	92.1
100.04029	21.5
107.05004	2.9
109.34298	2.4
111.03275	27.1
119.05001	51.4
136.07677	91.5
138.86069	2.3
139.69704	2.4
147.04515	30.5
164.07175	98.6
166.12424	2.4
184.07661	36.3
184.13409	4.6
185.97485	2.3
192.06673	3.3
202.08759	55.2
210.28835	2.7
218.08295	9.3
220.09811	30.7
228.12439	35.3
246.07733	56.9
264.05826	3.7
264.08749	100.0
264.11703	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
55.22478	1.0
59.01379	2.1
60.46961	1.0
66.16868	0.9
71.01375	4.7
72.04548	21.3
82.02984	100.0
85.02972	1.3
90.24019	1.2
92.22521	1.3
98.02471	38.3
100.04046	61.6
101.02432	1.7
119.05013	50.6
136.07681	1.5
151.86705	1.0
192.10323	10.3
195.63309	1.2
218.08217	11.9
220.07829	1.9
220.09801	28.3
264.08792	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01937	1.1
54.78179	1.1
57.30449	1.2
60.08751	1.1
65.92380	1.1
66.41217	1.2
72.04556	2.3
80.36530	1.2
82.02978	100.0
82.98664	1.3
98.02454	14.7
100.04040	58.4
101.02448	1.4
107.05016	23.6
112.04008	2.0
114.05602	2.2
119.05013	74.9
139.50029	1.3
142.19702	1.2
145.15219	1.6
180.06615	9.9
192.10320	2.8
218.08246	26.8
220.09814	24.6
244.82710	1.3
264.08795	89.5
264.11444	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
51.24818	1.3
67.30691	1.3
68.60151	1.2
72.04553	18.4
73.44984	1.2
82.02980	75.2
83.01428	1.9
98.02472	54.7
100.04039	31.1
107.05042	1.6
119.05027	54.6
126.01931	2.0
133.43723	1.4
136.07684	100.0
164.20615	1.6
166.49236	1.6
194.82494	1.7
202.08754	22.9
218.08250	8.4
220.09792	31.9
246.07678	15.8
264.08801	95.7
282.49210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.59288	0.9
54.23222	0.9
56.60239	1.0
66.04351	1.2
71.01371	1.3
72.04549	18.5
78.68166	1.0
82.02979	70.7
83.01374	1.3
98.02468	47.1
100.04032	26.3
104.70772	1.1
104.73296	1.0
107.05005	1.3
119.05016	58.9
126.01929	2.1
136.07677	94.0
166.80495	1.1
173.63937	1.0
181.31589	1.2
202.08772	22.6
218.08244	6.7
220.09790	29.1
246.07762	10.6
264.08795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0877
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
50.08956	0.6
76.76016	0.9
84.00853	0.8
84.04557	1.4
98.02471	1.6
110.02465	5.6
113.26902	0.9
122.03760	1.6
123.04490	20.0
128.03522	46.2
135.04521	10.6
152.07210	4.6
220.09789	16.0
246.07689	6.2
264.08774	100.0
276.27612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.088
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
59.01377	1.0
72.00893	0.8
72.04550	17.6
77.79275	0.9
78.61423	0.8
80.51445	0.8
82.02985	71.0
83.01386	1.7
91.05513	1.4
92.60217	0.8
98.02476	54.7
100.04047	26.6
107.05057	1.8
111.03228	1.6
112.04000	1.6
114.05609	1.8
117.39931	0.9
119.05025	57.6
121.83375	0.8
123.06474	0.8
126.02011	1.2
131.51988	0.8
136.07684	88.7
145.52980	0.8
147.04550	4.7
164.07193	13.0
171.87816	0.8
178.04999	1.2
184.07710	2.9
192.10245	1.2
202.08771	26.1
202.88374	0.8
218.08240	11.6
220.09836	25.6
228.12469	4.1
246.07709	16.7
264.08801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56131	0.9
55.23623	1.1
59.01377	2.9
64.11756	1.4
69.49587	1.4
72.04547	21.4
82.02982	100.0
98.02468	36.6
99.57098	1.2
100.04044	55.6
107.79641	1.2
119.04169	2.3
119.05016	50.9
128.27144	1.3
131.89192	1.5
192.10281	11.6
218.08246	12.8
220.09796	28.3
233.75563	1.3
264.08780	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26075	1.1
52.83867	1.1
57.81355	1.3
59.01392	1.8
61.02103	1.3
65.06771	1.3
71.01380	1.5
72.04547	2.6
78.73328	1.3
82.02982	100.0
85.92775	1.3
90.68220	1.2
98.02484	8.0
100.04047	60.3
107.05033	29.5
119.05022	74.2
121.03037	1.3
126.01862	1.7
148.04118	2.0
160.04121	2.9
190.05112	2.6
192.10330	3.3
202.05099	17.2
218.04692	2.2
218.08226	22.8
220.09781	25.8
246.04114	6.4
264.05237	15.4
264.08801	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28480	1.3
67.80145	1.4
72.04266	1.3
72.04553	20.9
76.91582	1.5
82.02982	100.0
83.01356	1.8
86.46889	1.5
98.02466	36.3
100.04048	55.1
100.04704	2.0
119.05024	50.9
125.63830	1.6
136.30045	1.5
187.20541	1.6
192.10298	10.3
218.08266	12.8
220.09798	28.3
264.08774	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28990	0.2
57.57899	0.3
59.01392	0.3
108.02155	0.3
109.02895	0.5
124.01618	0.3
133.02965	1.3
134.03737	0.6
159.04509	0.6
171.13280	0.3
175.04076	0.4
177.05588	1.6
178.02666	0.5
191.03500	0.6
193.05045	0.4
200.61420	0.3
200.82524	0.3
203.03543	0.4
206.02217	100.0
221.04564	39.1
265.03543	22.6
265.05859	0.3
265.07016	0.4
265.07672	0.5
288.92758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39854	0.2
56.97155	0.2
59.01362	0.3
79.95669	0.3
84.45157	0.2
88.10353	0.2
92.27168	0.2
108.02178	0.3
117.45414	0.2
119.05004	1.1
124.01676	1.0
133.02916	0.6
145.02986	1.7
159.04500	0.6
161.06049	1.0
162.03174	0.4
163.04036	1.0
177.05583	0.6
190.35052	0.3
191.03522	0.6
203.03404	0.5
205.05028	0.5
206.02214	100.0
221.04564	39.4
226.90485	0.3
265.03549	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0567
Annotation	N3,5'-Cycloxanthosine
Peak:m/z	Relative Intensity
54.56601	0.3
55.00814	0.3
56.78118	0.3
59.01374	3.7
60.14939	0.3
66.45627	0.3
67.04577	0.3
71.01376	43.2
80.54340	0.3
85.02919	0.4
89.02435	9.4
90.98596	0.7
111.00882	2.0
115.00360	100.0
126.09038	0.4
131.13910	0.4
133.01474	0.5
141.29326	0.4
187.59967	0.4
194.23874	0.4
212.55455	0.4
221.06613	0.6
250.04628	0.5
265.05673	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0565
Annotation	N3,5'-Cycloxanthosine
Peak:m/z	Relative Intensity
50.12348	0.9
54.00417	0.9
56.27894	0.8
59.01384	9.2
59.28495	0.9
71.01375	40.4
73.02957	1.6
85.02934	1.2
88.47233	1.0
89.02455	9.0
115.00356	100.0
163.03935	2.0
168.04378	1.0
190.02690	1.6
221.08189	4.3
232.03677	3.8
247.06117	6.4
265.05524	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0567
Annotation	N3,5'-Cycloxanthosine
Peak:m/z	Relative Intensity
53.27625	0.4
53.54131	0.5
53.94600	0.5
59.01382	6.5
71.01379	44.4
78.01624	0.5
84.17536	0.5
85.02967	0.6
85.06216	0.7
87.00904	0.8
89.02441	9.0
99.00874	0.6
103.26009	0.7
104.53644	0.5
111.00883	6.0
113.02462	0.9
115.00367	100.0
121.37212	0.5
133.01474	0.9
200.97127	0.6
209.83394	0.7
227.13062	0.6
265.05707	38.2
265.08051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19030	0.5
59.01372	4.3
71.01377	37.3
73.02959	0.6
74.41785	0.5
83.05462	0.5
88.07896	0.5
89.02435	8.9
98.86965	0.6
111.00892	1.4
115.00360	100.0
132.01340	0.5
133.01405	0.9
144.88892	0.5
223.52544	0.7
240.75082	0.6
249.52777	0.6
265.05688	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0721
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
59.01377	7.8
61.40380	3.2
66.83724	3.2
71.01371	4.9
71.26659	3.0
73.89639	3.2
75.01493	3.2
81.45017	3.8
86.30801	3.2
93.03460	3.5
94.27569	3.7
117.19938	4.2
134.03745	21.8
135.04538	25.6
141.10150	3.7
145.02966	13.5
149.06041	6.6
153.01880	5.5
163.04010	79.6
164.04564	3.8
175.00293	4.7
177.05566	26.8
178.02728	6.0
178.06320	7.3
188.04863	4.8
190.02760	33.9
191.03557	50.6
193.05089	21.8
203.07211	5.3
205.05064	34.1
206.05856	93.6
207.03024	46.0
221.08249	100.0
222.05296	8.5
223.09987	4.6
235.02536	25.7
250.04703	36.8
265.06802	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
60.47342	1.7
63.36175	1.5
63.63736	1.7
65.82384	1.6
84.30525	1.7
93.98555	2.0
107.05013	8.0
109.38457	2.0
134.03741	13.2
135.04538	16.8
160.97911	2.0
162.03157	4.3
163.04002	59.7
175.00362	2.3
177.05580	23.9
178.06371	10.5
181.05104	4.5
190.02739	30.8
191.03493	47.3
205.05084	26.5
206.05853	97.6
207.03018	50.5
221.06053	3.2
221.08183	100.0
221.10269	4.1
222.05278	3.3
224.50850	2.3
235.02484	32.8
235.07187	1.9
250.04834	70.7
265.04147	2.4
265.07227	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0719
Annotation	Diaportinol
Peak:m/z	Relative Intensity
59.91473	1.1
80.47192	1.2
83.96408	1.3
91.05545	1.8
93.03463	1.7
107.05009	4.7
117.85383	1.4
133.02966	2.5
134.03711	11.4
135.04524	19.5
162.03235	6.7
163.04012	69.0
164.04715	1.5
166.02692	6.3
173.02324	1.4
175.00310	2.0
177.05569	24.3
178.06337	9.3
181.05074	2.2
190.02727	34.7
191.03529	57.9
191.10847	1.6
192.07904	1.5
193.01350	1.8
203.10852	2.3
205.05098	25.4
206.05862	100.0
207.03003	48.9
221.08203	88.4
221.11620	2.6
222.05310	2.9
235.02499	34.7
246.46573	1.3
250.04810	54.0
251.18457	1.3
265.07178	68.3
265.11407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Luisol B
Peak:m/z	Relative Intensity
59.01361	1.5
61.15152	1.0
62.46777	0.9
99.00848	1.5
106.86919	1.0
107.01348	2.4
108.02169	1.7
110.00716	1.1
111.00859	5.3
123.00851	5.0
123.04522	1.4
124.01652	1.5
132.98274	1.2
135.00867	2.3
146.03740	1.5
161.06020	1.2
163.04086	1.4
175.04018	2.4
176.04739	5.3
186.97650	1.2
187.04039	1.7
188.04761	6.9
191.07059	2.1
202.02760	1.8
203.03490	1.3
203.07124	2.2
205.05086	8.1
206.05801	4.6
214.75198	1.1
217.05061	4.9
221.08214	1.7
232.03786	100.0
235.05861	1.5
247.06131	99.4
247.66858	1.3
250.04813	25.1
265.07169	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79165	0.8
59.62764	0.9
79.52646	0.9
87.00865	1.9
90.98582	4.4
96.96014	2.0
99.08155	1.6
99.51614	0.9
115.05861	3.6
120.99641	100.0
121.06638	1.0
127.55034	0.9
133.06892	2.1
138.03198	1.2
143.07115	1.1
147.04732	0.9
153.05586	1.1
162.03261	1.2
173.77258	0.9
177.01871	0.9
177.05891	38.4
191.03493	1.7
205.04994	1.1
206.05841	11.3
221.04622	1.2
221.08180	10.7
265.03592	4.0
265.07495	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67863	0.6
54.49762	0.7
61.54820	0.8
68.36272	0.7
70.02970	15.0
82.02982	9.0
91.05525	24.3
100.87709	0.8
118.06626	10.3
132.25252	0.9
147.04538	7.9
174.09230	19.3
218.08228	100.0
230.70187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50565	1.6
57.03407	1.9
59.01383	100.0
60.50819	1.7
71.01380	45.0
73.02948	10.5
85.02953	11.7
87.00887	2.3
89.02441	70.5
89.02961	3.4
95.01366	2.7
101.02416	25.5
103.04050	2.5
105.33748	2.2
111.00910	2.4
113.02416	21.7
119.03479	28.2
128.19093	1.9
143.03447	3.3
145.01350	2.7
149.04536	3.8
162.41962	1.9
179.05664	2.9
191.05640	2.9
265.09351	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45896	0.8
58.02977	1.0
59.01373	2.0
63.02193	0.7
69.22579	0.7
71.01376	1.4
74.02461	3.9
80.83698	0.9
82.02968	3.4
83.03313	1.5
84.04540	4.3
86.02496	1.3
98.02485	1.3
99.05635	1.8
101.07205	10.6
103.10171	0.9
109.02919	0.8
109.04076	9.1
119.05003	13.7
127.05131	66.7
128.03542	10.1
136.07764	0.9
145.02959	8.1
161.06079	4.0
163.04057	1.2
178.08791	1.2
190.08896	1.7
205.05063	4.8
219.11423	2.0
221.10242	1.0
221.12967	7.0
247.10860	16.1
265.07275	3.7
265.09488	4.4
265.11938	100.0
288.93668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
55.06301	1.7
56.25213	1.6
57.03442	4.2
59.01097	4.2
59.01380	71.0
71.01373	75.0
73.02936	33.9
75.00878	1.9
83.01380	15.4
85.02953	46.1
89.02432	21.0
95.01382	8.5
99.00871	10.8
101.02437	100.0
113.02435	47.9
117.01929	5.1
119.03477	5.6
125.02521	2.6
143.03490	2.6
155.39613	2.4
159.02959	11.5
161.04570	45.4
265.13037	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
55.06301	1.7
56.25213	1.6
57.03442	4.2
59.01097	4.2
59.01380	71.0
71.01373	75.0
73.02936	33.9
75.00878	1.9
83.01380	15.4
85.02953	46.1
89.02432	21.0
95.01382	8.5
99.00871	10.8
101.02437	100.0
113.02435	47.9
117.01929	5.1
119.03477	5.6
125.02521	2.6
143.03490	2.6
155.39613	2.4
159.02959	11.5
161.04570	45.4
265.13037	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01371	4.5
78.10265	0.7
135.01012	0.9
168.66872	1.0
177.16446	1.4
183.95108	0.9
203.14355	1.7
219.13858	1.1
221.15477	100.0
247.13283	1.0
265.14456	16.5
279.67920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1448
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
53.24345	0.8
57.03455	10.9
59.01369	4.9
61.01018	0.8
79.05556	1.2
83.05022	3.8
84.82052	0.9
85.02938	1.1
90.14738	0.8
95.05035	1.1
96.96011	1.3
97.06591	1.6
121.43437	0.9
123.04523	1.0
137.09726	1.3
163.11279	1.2
169.10219	3.4
181.12428	1.0
185.11952	1.3
185.13388	10.1
187.11220	1.0
197.85712	0.9
203.14500	9.6
205.12263	1.2
207.02966	1.1
219.77490	1.0
237.15024	1.0
247.13422	8.4
265.11047	5.6
265.14478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94406	0.3
79.95737	0.7
95.95191	0.5
96.96007	71.6
142.10349	0.4
226.61284	0.4
265.14819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87951	0.4
56.20309	0.5
59.96295	0.4
60.04793	0.4
62.71328	0.4
62.94017	0.4
63.49437	0.4
64.10088	0.5
77.19480	0.5
79.95775	0.6
96.96003	77.4
120.22984	0.5
147.37480	0.6
192.42429	0.5
265.14810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68555	0.3
62.56393	0.3
79.95748	0.9
96.96005	72.1
185.61351	0.4
216.85088	0.4
265.14807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01383	7.6
67.93391	0.8
70.81242	0.7
95.05013	1.0
96.96001	10.1
97.06596	16.0
111.45705	0.9
113.09718	17.1
130.49675	1.0
135.01044	1.0
139.07668	1.3
139.11269	3.5
149.09714	3.7
157.08694	13.1
167.10750	1.3
169.08682	5.8
221.19113	2.2
247.17026	3.9
265.14841	13.2
265.18091	100.0
265.21436	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87621	1.1
59.01387	2.6
59.07457	1.2
64.98040	1.2
69.03471	1.2
78.95904	16.4
79.47272	1.2
102.82846	1.1
131.07985	1.3
142.97456	1.5
167.98853	1.3
177.12932	2.4
184.25455	1.2
195.13922	100.0
207.14088	1.6
247.17014	16.4
265.15811	4.7
265.18127	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85249	0.8
57.64713	0.9
58.30330	0.9
59.01372	5.3
63.63029	0.9
78.82822	1.1
97.06574	1.2
122.76113	1.0
122.77048	1.0
123.08141	1.8
125.09742	2.3
139.11264	4.4
141.09171	1.5
149.13310	1.4
165.12802	1.3
169.08698	25.5
173.63368	1.3
181.12358	22.2
203.18034	5.9
247.17053	28.4
265.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90222	1.3
59.01376	19.0
62.62029	1.6
70.91865	1.8
71.05019	4.7
78.95901	100.0
78.96365	3.5
79.05350	1.7
96.95998	9.5
163.14886	3.2
187.41168	2.2
193.85440	1.7
203.18027	10.2
207.13901	70.5
221.15421	19.8
247.17043	58.7
265.15332	24.4
265.18134	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49474	0.8
51.57618	0.7
53.61893	0.9
56.58606	0.9
60.84246	0.8
82.03888	1.0
93.98028	1.0
109.06576	1.2
127.40736	1.2
137.09673	1.6
139.36830	1.0
155.10782	49.9
183.10268	5.7
194.16022	1.2
237.18611	1.7
247.16960	9.2
265.18106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30458	0.9
59.01375	7.5
62.64868	1.0
64.29241	0.9
66.39357	1.1
78.95900	14.8
87.86298	1.0
92.23209	1.1
96.96018	9.0
121.10204	2.4
134.35089	1.2
143.07115	2.3
151.11278	2.2
155.07150	1.4
167.10780	32.1
177.12788	1.1
178.00749	1.1
184.01947	1.2
195.10255	7.5
203.18007	2.2
222.95366	1.2
228.10001	1.3
229.69075	1.2
247.17033	13.7
265.15070	9.8
265.18091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.9
59.01373	8.6
59.46579	1.0
64.41155	1.0
72.53688	1.1
78.95912	1.4
85.02978	1.2
96.96001	10.3
97.06577	5.0
113.09721	50.5
121.10188	1.7
137.64050	1.3
139.11278	12.5
143.07153	5.5
155.07124	1.5
163.11253	1.4
167.10837	2.5
183.13766	1.3
189.15765	1.2
212.70468	1.1
220.50600	1.1
221.19130	11.7
247.16922	4.9
257.61404	1.2
265.14893	19.3
265.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13362	0.4
53.88470	0.4
57.03443	2.7
59.01397	4.3
65.41821	0.5
78.95893	1.2
85.06586	23.2
96.96007	7.8
109.06612	0.7
111.08168	1.3
167.10832	3.1
175.86516	0.5
179.10782	1.2
185.18431	0.7
195.13940	4.0
221.19063	2.5
247.17143	0.7
265.14944	11.9
265.18085	100.0
269.10406	0.6
276.88763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01362	1.5
60.23622	0.7
66.89941	0.7
95.05037	1.9
96.96002	1.5
97.06582	21.1
113.09712	1.8
124.98781	0.9
148.85342	0.8
149.09720	7.4
154.03568	0.8
157.08647	5.8
169.08696	1.5
177.62779	0.7
221.19220	3.2
222.27995	0.9
247.17064	4.1
248.77122	0.8
265.15182	4.0
265.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64930	0.6
59.01379	0.8
61.45704	0.7
66.99387	0.6
71.39183	0.6
96.96010	3.3
97.06582	2.8
102.77940	0.7
104.76263	0.8
106.08688	0.6
111.08135	2.7
125.09673	1.3
149.09744	1.3
163.14946	6.2
169.63139	0.7
212.31142	0.7
219.17574	1.6
247.17032	1.5
258.56049	0.7
265.15054	5.6
265.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45942	0.4
73.21400	0.5
82.29746	0.4
85.44103	0.4
92.22488	0.6
117.46006	0.5
125.35291	0.5
198.48508	0.7
265.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2176
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
68.86408	0.5
92.22579	0.6
113.82715	0.5
163.00075	0.5
166.00670	0.7
216.34924	0.6
265.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54100	1.5
71.01377	18.3
71.37060	1.7
73.17131	1.7
87.81567	2.0
115.00350	42.3
136.04051	11.9
150.05603	47.5
151.04031	8.4
203.81316	2.1
204.06689	8.3
222.07730	54.7
248.05650	3.3
266.06729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39308	0.2
76.40410	0.2
77.47488	0.2
77.85779	0.2
91.01884	0.4
93.03425	1.7
118.02981	6.4
119.05001	0.5
129.01900	0.6
134.88458	0.2
136.04039	100.0
146.06116	8.7
162.05615	2.6
190.05083	0.6
234.04166	1.9
266.10568	0.3
286.27252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0672
Annotation	ICM 0201
Peak:m/z	Relative Intensity
50.07881	1.4
50.43122	1.5
54.50330	1.3
55.36291	1.6
62.85451	1.6
70.58139	1.8
71.01373	21.8
76.52341	1.7
84.71195	1.7
89.74842	1.9
97.90015	1.8
115.00358	52.4
136.04042	10.6
150.05597	56.4
151.04037	10.1
154.35199	1.7
204.06528	9.7
222.07713	65.4
248.05472	7.4
266.06714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48555	1.2
58.86982	1.5
61.12697	1.5
62.02600	1.7
83.25437	1.5
132.15483	1.6
155.51906	1.7
192.28786	1.6
194.06085	19.3
196.07683	10.9
210.05394	1.8
212.07202	8.9
222.05611	14.0
223.06500	3.8
224.07159	24.0
225.47978	1.7
226.08704	2.5
236.07147	11.1
237.08057	12.4
238.05144	3.8
238.08720	3.8
264.06689	2.4
266.08249	100.0
268.06186	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52588	0.1
71.01376	0.3
85.02922	0.1
90.00004	0.2
92.02544	0.3
106.66841	0.1
107.03629	1.8
118.05063	0.6
134.04730	100.0
147.04637	0.2
194.08212	0.2
220.06230	0.2
222.11429	0.3
248.09399	0.2
266.06378	0.2
266.08752	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99594	1.1
59.01381	1.4
67.30913	1.0
71.15404	1.4
72.00900	7.2
73.02950	1.8
74.02482	2.2
84.85527	1.1
85.02980	1.8
91.05533	15.7
92.22473	1.7
98.02434	4.3
100.04044	2.7
101.02387	1.8
103.05512	1.4
112.04014	1.5
118.05106	23.2
134.04738	10.6
135.04507	1.9
146.09760	2.8
147.04524	46.1
149.06067	12.0
158.25813	1.2
158.27086	1.2
164.07179	100.0
194.08287	2.5
200.81427	1.2
222.11386	16.0
241.39821	1.7
248.09352	15.4
266.06891	8.1
266.10345	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88296	1.0
77.67069	1.3
82.02979	33.1
85.02943	5.4
85.59244	1.0
98.02493	1.2
99.38135	1.3
100.04048	36.6
101.02423	1.9
107.05038	5.1
112.93523	1.1
119.05018	33.9
129.01941	7.9
142.05225	1.3
182.66489	1.1
197.00504	1.2
204.10461	1.5
220.09804	38.4
248.09294	13.4
266.10373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1034
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
50.21511	0.5
55.36695	0.5
59.62386	0.5
60.62248	0.5
60.79553	0.6
70.03457	0.5
72.04536	0.6
72.93937	0.6
82.02977	35.2
83.01388	2.4
85.02953	11.6
86.06123	6.3
96.04558	0.6
98.02467	13.8
100.04035	45.4
101.02438	4.2
106.03150	0.6
107.04995	1.1
112.04035	6.3
112.83235	0.7
114.05607	6.0
119.05024	23.8
124.04028	3.5
126.05582	2.9
128.03569	1.3
129.00980	0.8
129.01939	18.5
142.05077	5.9
157.06619	0.7
160.46877	0.6
162.05571	1.0
202.08781	2.7
204.10326	3.3
215.29372	0.6
218.08234	7.0
220.09795	80.3
248.09279	38.4
266.10358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1036
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
51.04319	1.0
62.48790	1.1
82.02984	26.7
84.04557	1.7
85.02940	11.7
92.23148	1.5
100.04041	29.2
101.02440	7.4
119.05020	28.4
128.03535	74.4
129.00993	2.2
129.01935	38.1
136.07693	49.0
146.04611	3.0
191.00204	1.1
198.40405	1.3
220.09816	27.0
224.41519	1.4
248.06667	1.7
248.09309	64.6
266.10373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
65.36821	1.2
82.02982	32.1
83.01405	1.7
85.02954	13.8
86.06136	6.8
92.38210	1.2
93.03438	4.9
96.04590	1.7
98.02463	15.9
100.04041	47.6
101.02470	5.3
109.55993	1.1
112.04035	9.3
114.05622	7.5
119.05050	11.9
124.04078	7.6
126.05620	2.4
128.03581	1.6
129.01939	22.1
129.02849	1.5
134.04794	2.0
142.05135	5.9
142.94429	1.1
144.29863	1.2
172.04108	5.4
172.07813	1.5
173.04820	2.7
183.02061	1.3
195.05005	5.3
202.08781	1.9
204.10385	1.9
207.83803	1.3
218.08119	9.5
220.09790	100.0
243.91603	1.4
248.09305	51.5
250.01762	1.5
260.28946	1.4
266.08194	17.3
266.10516	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95072	1.2
61.26067	1.1
70.69317	1.2
82.02982	31.3
83.01414	1.6
85.02929	13.6
86.06088	4.6
90.30077	1.1
92.22572	1.6
95.79584	1.4
97.11766	1.2
98.02470	10.3
100.04037	43.7
101.02419	6.1
102.69218	1.2
107.41562	1.4
112.04020	5.4
114.05553	7.7
119.05014	22.4
124.03986	2.6
126.05579	1.5
129.01938	17.8
142.05086	6.8
151.03548	1.7
166.05954	2.8
202.08835	1.3
206.05464	1.3
207.06184	1.7
218.08269	7.2
219.90842	1.5
220.09798	84.5
248.09282	40.2
266.10349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
82.02987	27.9
83.01341	3.1
85.02944	16.3
86.06107	3.7
98.02498	13.0
98.69200	1.6
99.30268	1.8
100.04046	51.2
101.02415	1.7
112.04041	3.5
114.05592	7.0
119.05005	18.9
124.04108	1.8
126.05664	1.7
129.01941	21.2
130.77208	1.8
142.05106	4.1
151.66916	1.7
163.10130	1.6
180.52193	2.0
197.31209	1.7
204.10362	2.7
218.08173	3.8
220.09801	85.5
248.09285	46.9
261.68057	1.9
266.07507	3.9
266.10379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
59.01373	1.9
82.02982	31.4
83.01376	2.9
85.02946	18.8
86.06092	3.4
93.01634	1.3
95.08023	1.4
95.90938	1.3
96.04595	1.5
98.02461	16.2
100.04034	45.4
101.02432	6.4
104.95131	1.2
112.04024	7.2
114.05594	9.3
119.05039	15.3
119.52438	1.4
120.05387	1.7
124.04029	3.4
126.05610	1.7
129.01926	18.0
142.05096	8.1
145.02934	2.6
146.03297	3.2
162.06419	3.0
167.73720	1.4
202.08731	2.9
206.05238	2.0
218.08243	9.2
220.09802	100.0
248.09303	48.4
266.07703	3.6
266.10345	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.8
71.01386	0.9
72.00893	5.8
73.02937	1.7
74.02459	1.2
85.91341	0.8
86.02447	0.8
91.05523	9.7
98.02471	4.8
100.04022	1.3
101.02457	1.7
118.05106	14.9
130.05081	1.6
134.04691	7.9
146.09749	1.3
147.04521	39.1
149.06073	13.1
160.07684	1.0
164.07178	100.0
174.09183	0.9
178.05133	1.1
178.62001	0.8
186.09305	1.0
194.08228	1.9
204.10425	1.0
206.08253	1.2
210.98131	1.0
222.11378	11.0
248.09302	12.7
266.06903	7.3
266.10345	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90828	1.2
61.58364	1.1
73.58057	1.2
74.51476	1.2
75.53186	1.6
78.75594	1.2
82.02988	26.5
85.02953	7.0
86.06107	1.6
88.68734	1.2
98.02483	1.6
100.04043	39.4
101.02454	1.6
103.18744	1.2
107.05015	2.1
119.05022	31.7
128.03517	2.0
129.01935	10.1
134.41788	1.4
204.10239	1.7
220.09795	41.0
248.09370	16.8
266.10355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1037
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
53.09128	0.5
55.46019	0.7
57.61177	0.6
57.67158	0.7
72.04534	0.7
76.02808	0.6
82.02983	31.1
85.02936	5.5
100.04044	34.1
105.79677	0.9
107.04980	2.7
111.40788	0.6
119.05019	35.6
124.22061	0.8
128.03549	1.3
128.14503	0.7
129.01950	6.2
129.24405	0.8
146.04617	0.9
162.05562	1.2
204.10341	1.1
218.08194	0.9
220.09810	28.9
230.08290	0.9
248.09334	12.1
266.10367	100.0
288.05835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51344	0.8
53.72260	1.0
53.95174	1.0
68.79794	0.9
69.98418	1.2
72.04548	1.4
75.45498	0.9
82.02984	43.0
84.04505	1.0
85.02937	8.2
85.74630	1.1
93.64586	1.0
98.02462	1.4
100.04042	47.5
101.02429	4.0
115.93892	1.2
119.05011	33.1
119.12749	1.3
128.03554	14.5
129.01942	7.7
136.07617	1.2
154.01117	1.2
192.10399	1.8
207.06242	1.3
220.09795	51.1
248.09334	14.6
251.05099	1.7
266.07837	3.8
266.10364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02981	27.1
83.01372	1.7
85.02964	10.0
85.72348	0.8
86.06116	4.0
98.02477	8.8
98.03022	1.0
100.04042	42.6
101.02452	2.1
112.04030	5.9
112.04740	1.0
114.05600	5.7
119.05009	22.9
124.04006	2.0
129.01936	15.7
142.05074	5.4
159.59325	1.1
163.97426	1.1
187.17413	1.2
199.08205	1.0
202.08797	1.9
204.10295	3.8
218.08180	7.4
220.09799	72.2
248.09302	35.3
266.10355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06017	0.5
79.95741	0.7
89.98987	0.6
92.23090	1.0
96.96002	63.5
98.75807	0.5
117.49749	0.5
134.04706	0.6
136.68008	0.5
160.73520	0.5
191.03201	0.6
208.05440	0.6
251.05209	0.6
266.10703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1187
Annotation	cinnamoyltyramine
Peak:m/z	Relative Intensity
60.43202	0.7
66.81059	0.6
114.84986	0.8
119.05038	1.4
133.05295	0.9
134.06107	3.3
146.06116	58.8
150.76198	0.8
166.70967	0.7
214.34290	0.8
222.15059	1.1
266.11877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
63.00462	1.6
68.57023	1.5
72.99306	93.3
105.62600	2.1
134.03847	2.6
136.03998	13.5
137.04396	28.3
149.06006	2.2
162.03235	4.8
163.04111	2.7
166.50558	2.2
177.05521	3.3
178.00983	65.6
178.02644	10.0
179.03485	19.5
179.98854	11.8
180.04231	16.0
187.99376	46.8
188.04855	2.2
189.00160	58.2
190.01012	18.3
191.01682	7.1
193.03284	13.4
193.04945	4.3
194.05846	18.1
195.06676	26.5
204.47954	1.9
205.03293	23.2
205.05113	18.1
206.00502	11.6
206.05873	12.2
221.08235	4.2
223.13356	2.2
233.99910	25.6
234.05385	18.4
249.02283	91.3
249.07700	65.5
267.03342	100.0
267.08884	3.7
267.12592	6.7
267.16077	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48652	0.7
53.83530	0.7
57.30619	0.9
57.80808	0.8
59.01374	1.4
60.62212	0.9
61.36413	0.8
61.57296	0.8
83.92003	1.0
87.00871	1.0
88.02903	0.9
98.23242	0.8
109.02954	1.4
125.02421	5.8
137.02420	7.1
137.03412	0.9
153.01938	10.1
165.01910	11.7
165.99074	3.8
181.01408	33.3
181.02936	1.7
190.53435	1.0
193.01512	1.0
204.97836	4.6
206.76614	1.3
209.00916	19.9
224.03271	8.6
237.00412	47.9
239.05583	4.9
252.02754	100.0
267.05106	73.5
267.07986	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12130	0.3
56.58123	0.3
59.01380	1.8
71.01377	0.7
72.99323	0.8
75.00861	2.8
75.01270	0.4
77.98746	0.4
87.00864	0.6
87.04489	0.4
92.23038	0.6
92.51631	0.5
103.00441	0.5
105.01936	100.0
105.56056	0.4
108.21646	0.3
113.02441	1.5
119.05023	0.6
123.04529	1.9
133.02977	2.2
135.04520	4.2
139.89813	0.4
161.02444	40.3
161.06120	0.9
163.03989	0.5
165.05522	0.7
179.03539	2.1
179.07069	0.5
181.05009	0.4
223.06143	0.5
249.03964	0.6
267.04892	5.4
267.06760	1.2
267.07486	0.9
275.35156	0.4
280.33948	0.4
289.97867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53941	0.3
59.01384	1.8
61.49287	0.3
72.12486	0.3
72.99311	1.7
75.00874	2.2
83.05008	0.6
85.36858	0.3
85.84695	0.3
87.00864	0.6
92.22533	0.4
97.02940	1.3
104.81023	0.3
105.01933	100.0
105.27264	0.3
113.02446	0.3
119.05013	0.4
133.02968	2.6
135.04527	6.9
153.77525	0.3
161.02448	39.3
163.04033	0.8
164.03502	0.3
178.05110	1.7
179.03549	4.7
179.07013	0.4
221.10138	0.7
223.06154	0.7
237.06354	1.5
267.04947	4.1
267.10898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.8
61.14380	0.4
67.34930	0.4
72.99321	0.9
75.00879	3.1
105.01939	100.0
125.02502	0.5
133.02959	3.1
134.03767	0.5
135.04530	8.7
160.01703	0.5
161.02455	40.2
179.03482	4.7
190.68575	0.5
192.12596	0.4
201.29041	0.4
237.06133	0.5
267.04980	4.0
267.08926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0624
Annotation	Portulacaxanthin III
Peak:m/z	Relative Intensity
58.93241	0.5
59.01381	1.5
64.33277	0.6
70.02978	8.8
70.98270	0.6
71.01375	1.1
87.00838	0.8
88.35007	0.6
89.02425	0.7
94.09247	0.6
96.00911	0.7
108.04552	57.0
114.01958	29.3
120.04559	4.6
120.26803	0.5
134.04718	7.6
135.05165	7.9
151.02583	0.9
152.03531	100.0
158.02049	0.6
164.03563	10.2
165.01883	1.5
223.07179	3.0
234.69835	0.6
249.05168	2.6
267.06253	28.3
267.09305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0623
Annotation	Portulacaxanthin III
Peak:m/z	Relative Intensity
50.97594	0.4
66.21147	0.4
66.33517	0.3
70.02970	8.3
74.72507	0.4
96.00894	0.6
108.04552	57.7
114.01956	26.2
120.04540	5.5
152.03529	100.0
161.05991	0.5
164.03548	9.0
208.02463	1.0
223.07298	4.0
249.05078	1.0
267.06244	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98431	0.4
59.01400	0.5
70.02974	6.8
71.66992	0.4
96.00910	1.3
96.95993	0.6
100.79052	0.5
108.04552	58.5
114.01962	27.8
120.04535	4.7
149.06206	0.5
152.03534	100.0
164.03549	10.7
190.59915	0.6
208.02701	0.8
223.07317	4.0
249.05309	1.0
267.06271	30.5
267.08832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.65070	0.2
50.89040	0.2
59.01374	1.2
62.76952	0.3
73.77958	0.3
77.03962	0.6
79.01906	0.3
81.02541	0.3
91.93224	0.3
96.95982	0.5
109.43837	0.3
114.11980	0.3
116.11248	0.3
121.02955	0.7
143.05034	1.2
145.02957	0.6
165.01962	0.7
165.74837	0.3
181.06615	0.6
195.08215	0.5
207.13994	0.4
219.18405	0.3
223.07599	3.5
223.16974	1.2
239.07048	0.4
267.06641	100.0
267.16019	1.3
267.19656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
58.31426	1.0
59.01380	18.9
60.69042	1.2
62.08375	1.1
71.01380	22.8
72.99306	1.3
75.00848	10.8
85.02948	26.0
87.00880	11.9
87.01315	1.2
89.02434	10.6
95.01373	5.2
99.00888	8.4
112.58150	1.2
113.02441	46.6
115.00377	2.2
117.01932	1.5
120.95512	1.4
129.01945	2.1
176.94429	2.9
194.95462	1.5
206.95467	2.3
207.05032	1.9
249.06053	4.9
267.07220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
57.03446	1.0
59.01381	22.6
60.16485	0.8
71.01376	28.4
72.99294	1.4
75.00869	13.1
85.02942	25.9
87.00875	15.0
89.02437	13.5
92.42564	0.8
95.01380	4.1
95.47266	0.8
97.33488	0.8
99.00862	6.7
99.72723	0.9
101.02431	1.7
103.00360	2.0
113.02441	44.2
115.00326	1.3
117.01936	2.0
119.03458	1.2
129.01920	1.4
207.05064	1.5
223.20668	1.1
249.06128	1.8
267.07227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42944	0.7
50.79743	0.7
51.71524	0.7
57.03441	1.3
57.25842	0.6
59.01383	45.0
66.41692	0.7
71.01374	22.3
72.99297	1.9
73.02931	1.5
74.99077	1.0
75.00868	9.9
85.02943	23.0
87.00869	14.2
89.02447	13.6
91.13094	0.9
95.01372	4.8
99.00861	6.2
101.02447	5.4
103.00356	1.4
113.02438	36.7
115.00414	1.9
117.01938	2.0
117.84495	0.8
129.01950	3.6
135.03131	5.2
144.17967	1.0
175.02512	1.3
207.05327	1.0
207.08774	0.9
223.11929	1.0
227.26767	0.8
249.06224	4.1
267.07281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0876
Annotation	Citrinin hydrate
Peak:m/z	Relative Intensity
51.21063	1.1
58.32909	0.9
59.01382	3.9
61.66291	0.8
62.91513	0.9
89.06687	1.1
96.96003	5.7
125.09762	1.3
135.04526	16.3
136.01666	3.9
139.00378	5.4
164.08429	57.5
166.02716	1.8
167.07127	17.6
179.03519	4.4
179.07161	6.7
179.10779	39.1
179.14421	6.0
190.86678	0.9
195.06729	1.3
208.07422	58.5
223.09766	100.0
267.08792	58.6
267.11710	2.0
267.19965	1.4
267.23221	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24259	0.8
52.93100	0.6
57.37988	0.7
59.01384	1.5
75.00890	1.2
87.00449	0.8
87.00870	52.3
105.01931	65.3
133.02934	1.0
134.03706	1.0
135.04523	5.5
146.03738	38.8
149.06079	0.9
161.02444	25.4
161.06071	23.2
163.03928	1.1
164.03415	1.2
164.04784	35.6
165.05626	1.4
178.05093	1.6
179.07138	100.0
223.06085	1.6
224.04880	10.8
237.06512	1.0
239.07256	1.0
267.06534	3.7
267.08893	8.2
267.23315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24259	0.8
52.93100	0.6
57.37988	0.7
59.01384	1.5
75.00890	1.2
87.00449	0.8
87.00870	52.3
105.01931	65.3
133.02934	1.0
134.03706	1.0
135.04523	5.5
146.03738	38.8
149.06079	0.9
161.02444	25.4
161.06071	23.2
163.03928	1.1
164.03415	1.2
164.04784	35.6
165.05626	1.4
178.05093	1.6
179.07138	100.0
223.06085	1.6
224.04880	10.8
237.06512	1.0
239.07256	1.0
267.06534	3.7
267.08893	8.2
267.23315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0876
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
51.82911	0.5
54.79332	0.5
59.01383	2.3
72.58006	0.5
73.54136	0.5
75.44910	0.6
79.32581	0.6
109.99539	0.6
119.04993	0.8
134.03740	100.0
136.01634	0.7
148.05270	1.2
149.06078	55.3
152.03622	0.7
153.05568	1.4
156.17351	0.6
156.20143	0.6
163.03987	2.6
178.05130	0.9
192.04288	4.9
195.98625	0.5
208.07428	2.4
223.09781	1.0
234.66942	0.6
255.89285	0.5
267.08798	34.1
267.23300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
68.64273	0.3
72.99316	0.6
75.00874	2.3
78.92255	0.3
81.06554	0.3
84.91899	0.4
87.00867	41.5
91.37699	0.4
105.01927	100.0
123.04449	0.4
133.02940	2.9
135.04509	9.0
141.73653	0.3
145.49591	0.4
146.03732	33.7
149.06010	0.4
160.05307	0.7
161.02444	41.2
161.06071	20.5
163.04004	0.5
164.04797	28.7
178.05011	0.4
179.03758	4.4
179.07135	84.0
188.92049	0.4
205.04993	0.4
205.08804	0.5
209.39024	0.4
249.04045	0.5
267.04956	3.7
267.08810	7.8
267.23309	0.6
275.32913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0876
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
50.94580	1.2
59.01384	2.4
61.00119	1.1
63.98316	1.1
91.04021	1.4
132.02176	1.7
133.02965	24.9
134.03752	28.9
148.05313	6.0
149.06081	23.4
151.03802	1.4
160.01648	22.7
170.64726	1.4
175.02579	2.8
175.03995	48.5
177.01939	20.3
179.03500	2.8
193.05052	25.2
220.09973	1.4
221.04518	2.5
252.06421	72.5
267.05704	3.7
267.08743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
64.16712	0.5
64.49191	0.5
67.35203	0.5
87.00871	51.0
134.03758	0.7
145.03033	0.6
146.03741	35.4
151.04054	2.4
161.06084	23.4
161.07330	1.1
164.03412	1.0
164.04796	33.0
179.07150	100.0
195.06705	0.8
219.50748	0.6
237.00301	0.7
252.02690	1.1
267.06207	0.8
267.08734	9.4
267.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26592	0.5
59.01394	0.6
69.73376	0.6
69.86673	0.6
70.50877	0.7
82.02996	2.7
85.02941	1.3
87.00868	51.7
91.18497	0.8
100.04050	4.6
101.04369	2.9
107.30720	0.7
119.05061	1.3
120.05363	3.1
129.01996	0.7
146.03741	41.7
149.06059	0.7
161.06076	27.3
164.04802	36.8
175.07777	0.8
179.07143	100.0
221.10127	7.7
241.89265	0.7
249.09673	3.1
251.02628	0.8
267.06247	1.2
267.08636	3.6
267.11023	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
59.42759	0.7
80.36465	0.8
82.02989	5.7
83.03386	0.8
85.02953	1.7
87.00870	59.7
91.52188	0.9
92.02100	0.8
96.96001	0.9
98.02464	1.1
100.04058	10.7
101.02447	0.8
101.04377	3.9
118.11008	0.8
119.05019	4.5
120.05354	5.8
129.01950	2.0
130.02299	1.6
135.04562	1.3
146.02567	1.5
146.03738	45.1
149.06096	1.3
151.04004	2.0
161.06081	24.1
164.04802	37.8
166.38370	0.9
179.03613	3.4
179.07150	100.0
205.05067	1.2
221.10138	17.1
223.09802	1.0
249.09616	10.4
267.05176	3.9
267.08612	7.3
267.11023	26.0
276.19766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49908	0.7
72.99297	0.8
73.62334	0.6
75.88879	0.6
82.02991	4.4
83.03329	1.3
85.02961	1.3
87.00870	54.3
100.04044	5.3
101.04376	1.5
118.51387	0.7
119.05019	4.3
120.05386	3.6
129.01915	2.6
130.02289	0.9
134.03757	1.3
135.04472	0.9
146.03738	35.7
147.04471	0.8
149.06075	0.8
151.04054	1.2
161.06081	22.3
163.04022	1.0
164.04796	33.5
175.07578	1.0
179.07147	100.0
212.87604	0.7
219.08504	1.1
220.09760	1.0
221.10127	12.1
249.09627	6.0
266.45944	0.9
267.08624	5.2
267.11017	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
64.16712	0.5
64.49191	0.5
67.35203	0.5
87.00871	51.0
134.03758	0.7
145.03033	0.6
146.03741	35.4
151.04054	2.4
161.06084	23.4
161.07330	1.1
164.03412	1.0
164.04796	33.0
179.07150	100.0
195.06705	0.8
219.50748	0.6
237.00301	0.7
252.02690	1.1
267.06207	0.8
267.08734	9.4
267.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86168	0.6
54.04341	0.6
58.25161	0.7
59.01389	2.6
59.47153	0.6
63.88025	0.6
86.74082	0.9
87.00869	50.6
97.02145	0.7
105.01937	1.6
136.03944	0.8
137.03529	0.9
146.03732	38.7
158.29187	0.8
161.06081	22.6
164.04800	34.7
178.05031	1.6
179.07144	100.0
181.01463	1.9
209.00827	1.6
210.14415	1.1
210.41556	1.0
237.00464	3.9
252.02844	9.6
267.05017	6.7
267.08734	7.8
267.23303	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0912
Annotation	moclobemide
Peak:m/z	Relative Intensity
54.62695	0.5
56.23376	0.5
56.73864	0.5
59.01380	1.3
96.96006	100.0
99.39299	0.5
104.11543	0.6
141.12851	3.1
187.13380	9.5
230.18350	0.7
252.09093	2.2
267.09097	26.1
267.11456	1.9
267.23273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.091
Annotation	moclobemide
Peak:m/z	Relative Intensity
56.19420	0.5
69.10841	0.5
70.52788	0.5
79.95741	0.7
80.96505	0.7
96.96003	61.4
110.98528	0.7
134.05792	0.6
147.65688	0.5
150.12738	0.6
168.99220	0.6
170.14177	0.7
187.13405	54.5
223.13503	1.2
235.06390	1.2
266.64020	0.7
267.09100	100.0
282.21832	0.6
287.21317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
52.43709	0.7
54.91612	0.7
57.03437	1.4
59.01386	1.2
78.44625	0.9
83.05020	0.9
91.73338	0.8
93.09231	0.8
96.96014	1.1
97.02944	14.5
97.06576	5.5
123.08158	4.0
125.09788	1.0
126.00063	0.8
168.99657	0.9
179.14430	4.3
205.12338	3.8
213.18050	1.0
223.13402	100.0
223.39148	0.9
254.70563	0.9
267.03049	1.0
267.06607	1.0
267.12424	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03452	2.1
59.01385	100.0
71.05029	1.4
78.40617	1.0
79.10365	0.8
82.49469	0.9
83.05003	1.6
87.00888	1.4
96.96011	1.0
97.06583	1.1
97.27477	1.0
109.16949	0.9
120.67542	0.9
147.17160	0.9
150.62701	1.0
161.09541	1.3
161.13344	1.8
163.11276	2.2
187.09689	1.2
199.71745	0.9
205.12372	1.0
207.10313	2.0
211.25403	1.0
223.13414	58.2
267.12411	10.7
267.15866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89067	0.7
59.01371	1.1
61.49568	0.6
75.36286	0.7
83.69041	0.8
92.32402	0.7
150.82388	0.8
205.16025	11.4
223.17062	100.0
227.48349	1.0
231.13983	1.3
249.14964	6.1
267.11404	5.7
267.16037	56.8
267.19629	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01372	0.6
68.68916	0.4
73.90684	0.4
80.69728	0.4
85.78148	0.4
95.72413	0.4
97.92218	0.4
112.46461	0.4
126.16028	0.4
131.14891	0.4
167.14380	1.0
193.15945	0.7
223.17096	0.7
223.20720	1.6
247.44678	0.5
249.18559	1.5
267.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18494	0.3
55.45953	0.5
57.04818	0.4
59.49416	0.4
61.94957	0.4
62.29403	0.5
65.49481	0.4
70.49799	0.5
86.80309	0.5
99.08150	1.0
101.32547	0.5
165.12793	2.2
181.76707	0.5
215.96840	0.6
218.91899	0.5
223.20699	0.9
267.19666	100.0
289.59558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19860	0.6
59.01371	4.0
61.78808	0.9
63.87016	0.7
64.34960	0.6
64.72935	0.7
68.92253	0.6
77.92336	0.7
96.95975	1.0
99.08116	1.0
106.25052	0.9
118.89233	0.8
139.11209	0.9
165.12868	1.8
177.96208	0.7
194.35724	0.9
205.15990	0.9
223.17012	6.2
223.20674	0.8
244.13066	4.3
267.13708	9.5
267.16272	4.3
267.19675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
58.17262	0.4
59.01377	0.7
61.13716	0.4
61.75353	0.4
63.94762	0.6
65.05601	0.4
100.08849	0.4
102.10659	0.4
123.08123	1.0
125.09699	3.1
127.11306	0.9
141.12895	0.7
179.30110	0.5
195.66316	0.4
223.20767	3.1
250.15320	0.4
267.19678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
51.78002	1.0
59.01381	11.0
72.49741	1.1
72.53042	1.1
99.08178	1.4
115.14178	1.2
140.05074	1.4
149.09666	2.3
167.10771	33.0
171.10287	1.4
205.19606	1.9
240.78009	1.3
249.18614	34.0
249.63777	1.4
267.11453	1.4
267.19666	100.0
267.22681	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.6
60.08807	0.5
63.99189	0.5
64.85799	0.5
72.28670	0.5
85.97105	0.7
98.95595	1.4
111.08150	0.9
155.10776	64.9
159.95129	0.6
171.10278	1.3
183.10370	0.6
230.27762	0.6
249.18599	8.2
267.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01358	1.2
70.59304	0.8
97.06580	10.6
100.63645	1.0
113.09717	11.5
113.15118	1.0
125.06013	1.5
133.56847	1.0
143.07135	31.6
143.98837	0.9
244.27292	1.2
249.18628	37.6
267.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01390	1.3
69.03449	5.2
71.05013	12.8
81.03454	0.9
83.05016	1.1
87.79827	0.8
92.22491	1.3
145.15022	0.9
164.23837	0.9
165.70772	0.9
194.38565	0.9
195.17584	1.2
203.62541	0.8
208.43147	0.8
221.19159	5.2
223.20676	100.0
248.11987	0.9
267.19659	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01382	4.2
64.40509	0.7
97.06608	7.8
113.09718	2.1
143.07138	35.6
151.11342	1.2
197.72559	1.0
223.17085	3.7
223.20667	1.4
249.18623	45.2
267.19681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2332
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
53.60494	0.3
54.83210	0.4
85.16079	0.5
122.77082	0.5
141.29572	0.5
175.17268	0.5
199.38853	0.4
199.74440	0.4
267.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96561	0.4
64.10160	0.4
90.48103	0.4
94.26759	0.4
110.93774	0.4
138.49181	0.4
145.80771	0.4
267.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
111.98124	4.6
134.28059	4.6
198.08032	6.4
240.08861	6.5
267.20395	7.9
267.23355	100.0
267.26462	9.5
273.40591	5.9
288.53226	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02222	0.4
55.36018	0.5
70.55822	0.5
84.74082	0.5
86.38350	0.5
97.49616	0.5
104.15443	0.7
110.30659	0.6
151.64107	0.5
221.18742	0.6
236.31046	0.6
263.61789	0.5
267.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2695
Annotation	Stearaldehyde
Peak:m/z	Relative Intensity
50.93993	0.5
51.15060	0.6
54.62135	0.7
56.52692	0.6
65.46146	0.6
82.04152	0.9
85.85811	0.6
97.71471	0.7
106.04101	0.7
122.57826	0.7
131.66872	0.7
133.36580	0.7
135.96371	0.7
160.12985	0.7
198.07762	0.9
239.23877	1.0
243.81151	0.8
265.25400	8.2
267.23538	4.7
267.26953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39035	0.6
63.02405	0.7
83.01393	0.6
92.22498	0.8
92.42291	0.5
97.53809	0.5
107.01414	2.0
135.68742	0.6
149.99615	0.6
151.00389	3.8
171.04485	0.9
172.05283	0.8
195.04590	0.7
196.05275	0.8
203.15762	0.6
211.04005	3.8
212.04788	0.7
224.95343	0.6
239.03452	4.0
240.04294	5.9
267.02988	1.3
268.03790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31768	0.6
57.65682	0.7
69.48134	0.7
84.73654	1.0
101.39511	0.6
107.01355	1.3
145.31525	0.8
151.00349	3.9
157.50385	0.9
171.04442	0.8
209.39381	0.7
211.03946	1.7
212.04744	1.1
222.96588	0.9
239.03508	5.3
240.04323	7.2
250.30286	0.8
268.03790	100.0
288.71335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02411	0.6
77.85567	0.5
83.01390	0.7
99.96748	0.6
107.01388	2.3
117.03515	0.9
121.03010	0.5
126.34771	0.6
151.00308	3.7
171.04509	1.2
171.12599	0.6
211.04028	2.5
212.04872	0.9
239.03531	4.1
240.04286	5.6
255.95416	0.6
267.02927	2.1
268.03790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82512	0.6
59.94576	0.5
65.00319	0.6
79.23875	0.5
92.23155	0.7
98.29136	0.6
107.01388	2.1
108.91046	0.5
110.63766	0.6
111.11698	0.6
128.53416	0.6
151.00374	4.3
170.35039	0.6
196.05344	1.3
211.04068	1.3
212.04892	0.8
238.37370	0.6
239.03464	5.6
240.04214	4.6
256.79544	0.6
267.03036	1.4
268.03790	100.0
270.76822	0.6
281.13516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67469	0.3
52.48103	0.3
59.76434	0.3
62.94391	0.3
63.02407	1.4
64.45598	0.3
65.00339	0.3
66.03011	0.3
77.67122	0.3
83.01392	0.7
92.22495	0.4
107.01382	1.8
117.03455	0.4
121.61970	0.3
122.94561	0.3
148.01678	0.5
149.99564	0.6
151.00377	3.3
171.04472	0.8
172.05312	1.4
199.03987	0.3
211.03979	2.1
212.04808	0.5
239.03503	3.9
240.04295	5.5
267.02951	2.6
268.03793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05357	0.5
65.89548	0.6
72.99326	0.6
95.52060	0.8
107.01350	1.0
108.58694	0.7
126.06004	0.7
151.00366	2.7
171.04594	0.7
174.46622	0.7
178.70978	0.6
196.05423	0.8
200.04807	1.2
211.03998	1.5
212.04857	0.7
239.03473	5.2
240.04367	5.2
250.73918	0.7
250.92345	0.8
267.03064	3.4
268.03793	100.0
268.16266	4.4
268.19028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66103	1.9
59.01395	1.9
64.01918	2.5
65.99839	2.6
68.80070	2.1
69.49210	2.0
72.56240	1.9
82.02984	3.3
95.01389	10.0
96.04532	4.8
97.02930	2.3
109.01535	2.2
110.02470	4.2
124.04027	82.7
136.34311	2.3
144.19499	2.2
154.05083	4.0
168.03017	98.7
194.04582	9.8
194.06131	3.1
196.07652	4.8
210.05627	5.6
212.07193	24.8
222.05640	3.7
224.05542	15.9
224.07446	37.9
238.05179	4.8
242.23404	2.5
268.04327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01902	1.9
57.33162	1.1
64.01916	1.2
65.99847	2.6
69.03461	2.1
80.67794	1.5
82.02985	6.2
87.00833	1.7
95.01385	7.6
96.04554	8.7
124.04042	68.3
128.14380	1.6
147.58333	1.5
168.03032	100.0
177.23744	1.5
235.52632	1.8
268.04669	85.4
277.69180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42166	0.4
60.57845	0.5
65.60812	0.5
66.03481	8.6
70.02951	4.7
74.08882	0.5
101.61002	0.7
109.04066	100.0
114.01958	13.0
115.00336	0.7
123.15501	0.6
134.02588	0.6
142.15874	0.6
152.03557	8.2
153.03050	3.5
154.79433	0.6
162.05522	0.6
162.06705	2.9
163.05022	0.6
180.07800	43.3
197.49042	0.5
205.39481	0.6
224.06816	23.0
268.05859	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55957	1.3
53.69214	1.2
56.58969	1.2
61.48553	1.4
69.59048	1.4
76.01922	6.1
102.93626	1.4
110.39151	1.5
117.03397	2.1
147.04533	1.9
172.17381	1.6
182.06133	3.5
194.06157	27.8
195.06921	2.6
196.07666	27.2
198.05727	2.2
200.07124	6.1
208.04051	6.7
209.04889	8.6
210.05615	24.2
212.07181	49.5
222.05522	13.1
224.07184	100.0
225.99049	1.4
228.06636	3.7
237.70718	1.7
238.05075	15.4
257.63461	1.7
268.06180	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0618
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
61.89545	1.3
76.01922	3.7
79.41299	1.6
80.14594	1.4
113.32015	1.7
117.03474	2.4
119.05044	2.5
134.13747	1.6
182.06213	2.7
186.01813	1.8
188.68088	2.1
194.06108	19.2
195.06830	3.0
196.07683	21.6
198.05690	2.6
200.07198	6.9
208.04131	3.8
209.04851	8.7
210.05629	21.6
212.07181	55.1
216.11215	2.2
222.05615	13.3
224.07178	100.0
228.06671	2.7
238.05086	11.3
251.97957	2.1
268.06189	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12267	2.0
76.01940	2.7
78.24138	2.1
83.87457	2.1
105.01926	43.1
106.02270	13.8
119.05038	2.4
125.09705	22.7
158.83841	2.6
161.02448	4.7
162.02797	14.6
181.05161	2.8
182.06084	3.7
186.11362	59.3
194.06087	22.9
196.07713	21.1
200.07188	3.5
208.03902	4.3
208.09572	49.9
209.04765	14.2
210.05641	21.5
212.07193	49.1
222.05659	11.0
223.06343	2.9
224.07173	100.0
228.06555	3.4
237.24037	2.4
238.05234	17.2
268.06125	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0616
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
57.38597	1.6
61.56881	1.7
76.01925	3.8
98.33580	2.1
117.03451	2.6
119.05035	2.6
152.03589	2.5
153.68501	2.0
170.40080	2.0
182.06110	2.6
194.06100	22.1
195.06895	2.5
196.07680	22.6
198.05649	2.6
208.04068	4.7
209.04953	15.0
210.05661	25.1
212.07181	59.1
222.05653	13.0
224.07181	97.9
228.06720	4.8
238.05055	19.3
252.09979	2.4
268.06177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0617
Annotation	Evoxanthidine
Peak:m/z	Relative Intensity
50.46784	1.5
54.84538	1.9
60.78471	1.6
65.83903	1.5
66.57411	1.5
76.01922	3.4
76.13387	1.5
78.85478	1.5
103.82137	1.6
119.05012	2.6
168.52452	2.1
172.30287	2.1
181.05354	2.6
182.06088	3.5
194.06117	23.1
195.06953	2.1
196.07701	24.6
198.05656	2.4
200.07188	4.4
208.04042	8.6
209.04781	14.6
210.05687	21.9
212.07182	60.1
222.05585	9.5
223.06393	1.9
224.07193	100.0
228.06734	7.1
238.05083	19.7
268.06168	94.7
268.09021	3.9
282.27765	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12267	2.0
76.01940	2.7
78.24138	2.1
83.87457	2.1
105.01926	43.1
106.02270	13.8
119.05038	2.4
125.09705	22.7
158.83841	2.6
161.02448	4.7
162.02797	14.6
181.05161	2.8
182.06084	3.7
186.11362	59.3
194.06087	22.9
196.07713	21.1
200.07188	3.5
208.03902	4.3
208.09572	49.9
209.04765	14.2
210.05641	21.5
212.07193	49.1
222.05659	11.0
223.06343	2.9
224.07173	100.0
228.06555	3.4
237.24037	2.4
238.05234	17.2
268.06125	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0731
Annotation	BE-39907B
Peak:m/z	Relative Intensity
54.61982	0.8
59.30606	0.8
64.00302	0.8
68.42715	0.8
71.84634	0.8
75.65529	0.9
81.04579	6.9
92.23031	1.6
96.43270	0.8
105.25471	0.9
116.05059	3.8
125.03561	100.0
140.05058	2.1
153.30270	0.9
154.05363	1.8
179.33270	0.9
181.07747	1.3
197.07166	4.1
225.06741	18.1
236.09856	1.3
238.05714	1.0
238.20441	1.0
268.07294	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
58.02971	1.3
59.00327	0.6
89.48951	0.7
99.08143	1.0
124.53284	0.6
126.57674	0.7
128.54388	0.6
207.17535	31.7
224.20367	0.7
250.18202	5.1
251.16547	26.4
268.19183	100.0
269.17633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19584	0.9
78.46738	1.0
112.95588	0.9
144.25764	1.0
147.50722	0.8
268.23654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20773	0.6
66.44863	0.6
67.20773	0.6
70.25623	0.6
70.48811	0.5
71.84922	0.8
72.82969	0.7
115.22437	0.6
120.74919	0.6
121.98476	0.7
138.48740	0.6
150.11142	0.8
153.00552	0.7
245.55132	0.7
268.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
62.86581	2.4
71.01386	12.0
72.99293	41.0
78.95901	3.6
89.02452	28.9
113.03580	5.3
114.01923	4.3
115.00365	38.2
131.04646	24.9
133.01433	77.7
152.95969	89.9
170.97023	100.0
233.68042	3.1
251.00658	6.2
268.94318	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66932	0.2
96.70598	0.2
115.32887	0.3
127.78815	0.2
134.30125	0.3
143.11951	0.3
150.44797	0.3
157.19093	0.3
165.05580	0.4
169.02959	1.3
171.79918	0.2
181.05067	1.2
182.05862	0.6
196.07413	0.4
197.02460	2.4
197.08118	1.8
204.41447	0.3
208.07440	1.7
211.31166	0.3
223.09805	1.0
225.01965	0.4
236.07150	0.4
251.09267	4.5
268.00156	0.3
269.00940	100.0
269.21262	1.1
276.21606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Galangin
Peak:m/z	Relative Intensity
51.72711	0.3
51.76776	0.2
52.88309	0.3
56.88607	0.3
57.15736	0.3
66.07074	0.3
67.38816	0.4
68.83588	0.3
143.05023	0.4
159.89334	0.3
169.06612	1.5
169.51372	0.3
171.04544	0.4
185.05910	0.4
197.06064	0.6
198.03221	0.5
213.05600	1.7
227.03394	0.5
252.35085	0.3
269.04575	100.0
270.94113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58631	0.3
58.92176	0.4
59.01375	1.7
64.02398	0.4
65.00346	0.4
84.01090	0.4
89.02445	3.6
98.96133	0.4
100.44855	0.4
107.01402	1.6
117.03450	7.3
149.02429	6.1
151.00371	6.9
153.12886	0.8
159.04597	0.9
179.10808	0.6
181.06554	0.7
183.04541	0.7
197.11870	1.7
201.05557	1.6
207.13957	0.6
209.11887	0.6
225.05533	3.8
225.14944	15.6
227.03485	0.6
251.12868	0.7
269.04556	100.0
269.13980	9.4
269.17505	2.1
269.21274	4.5
269.24857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23906	1.7
59.53490	2.0
64.92141	2.0
65.78389	1.8
73.02942	4.6
99.02132	2.4
114.05531	2.3
140.01170	19.1
150.03223	53.2
151.04015	100.0
152.04781	18.6
269.03870	4.2
269.06717	98.7
269.09747	5.0
269.18393	3.3
269.21283	31.8
269.24820	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55194	0.9
63.67274	0.9
65.00329	4.4
67.47781	1.0
77.23722	1.0
94.00568	1.8
97.02926	1.5
121.02961	2.0
122.00067	8.5
165.01944	14.5
177.01898	3.6
180.72736	1.1
212.52930	1.1
225.05560	6.1
226.06366	23.7
227.07126	1.7
253.05063	5.1
254.05841	16.4
269.08221	100.0
269.21204	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
56.42605	0.5
63.08658	0.4
65.00327	4.6
68.45567	0.5
68.99803	3.2
87.85473	0.5
88.51736	0.5
90.76238	0.5
94.00597	2.2
97.02932	2.8
103.92695	0.6
109.80861	0.6
121.02921	2.4
122.00082	6.5
139.04018	4.8
149.02388	0.5
149.99612	1.3
152.01303	0.5
156.05771	0.7
165.01921	10.7
169.06645	1.1
177.01912	7.7
184.05363	0.8
191.87904	0.6
192.41199	0.6
198.01817	0.5
198.06839	1.8
199.37770	0.5
212.64136	0.6
225.05553	6.4
226.06364	26.7
226.08604	0.9
227.07272	3.7
230.42293	0.5
253.05081	7.8
254.05865	19.6
269.08212	100.0
269.21243	15.6
269.24854	7.5
278.17169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32126	0.3
53.92010	0.3
73.22544	0.5
79.01893	2.7
89.04258	0.4
97.02941	2.4
109.58067	0.4
121.02928	5.1
133.13603	0.5
137.02507	0.7
137.28018	0.4
145.06622	1.9
150.03192	0.8
165.01927	8.7
169.06522	0.5
171.04488	1.0
172.05333	0.5
173.40961	0.5
178.02711	2.2
183.08107	3.3
191.03404	0.7
225.09276	4.2
227.07106	7.4
232.36505	0.4
241.08603	2.0
269.08212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.4
59.62089	0.4
77.03977	0.5
77.56975	0.4
79.01886	2.9
79.74873	0.4
84.32188	0.4
96.73294	0.4
97.02944	3.3
99.64076	0.4
118.64453	0.4
121.02942	5.8
130.04330	0.5
145.06543	0.6
148.76711	0.4
150.03188	0.8
159.08144	0.6
165.01933	9.5
171.04591	0.6
178.02687	2.0
183.08142	2.4
199.07657	0.5
201.09247	0.5
225.09171	3.6
225.15024	4.0
227.07155	8.5
234.03023	0.5
241.08769	2.4
254.10649	0.8
269.08209	100.0
269.14236	2.1
269.21237	4.0
269.24847	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28612	0.5
65.00325	4.0
89.00333	1.0
91.01897	0.8
97.02941	6.2
121.02972	4.8
122.00077	1.0
137.02495	0.7
138.44250	0.5
149.99614	4.4
163.00418	0.5
165.01932	17.5
169.06540	0.5
177.01913	1.0
178.02718	1.0
183.08098	0.7
184.05296	2.8
212.04817	2.2
225.05649	0.7
225.09196	2.2
226.06363	3.0
227.07147	12.9
227.09242	0.8
247.32712	0.5
253.05084	2.1
254.05858	12.8
269.08218	100.0
269.21292	6.1
269.24811	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08816	0.9
86.69310	1.0
122.49556	0.9
128.47243	1.0
135.04523	3.9
138.01573	1.1
147.04524	4.5
147.35074	0.9
151.88158	0.9
161.06067	4.0
180.07918	100.0
192.07942	89.9
192.09737	2.0
193.08714	4.3
195.10269	36.5
207.10271	59.8
210.08989	34.4
225.11333	71.2
239.09221	12.5
251.09309	8.5
269.10330	17.7
269.24689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21957	1.2
52.76298	1.3
55.19818	1.2
58.55493	1.2
59.01385	1.7
70.68417	1.3
75.30409	1.3
89.28704	1.5
90.57806	1.6
91.57236	1.4
107.02417	1.4
117.32429	1.6
129.54703	1.5
135.04533	8.4
140.01709	1.6
147.04521	3.3
147.26796	1.4
154.12456	1.7
161.06070	2.4
162.02663	1.8
180.07922	100.0
184.39854	1.8
192.07925	89.3
193.08659	3.0
195.10284	34.8
207.10275	60.6
210.09009	42.8
210.10966	1.9
225.11322	66.9
239.09265	11.0
251.09293	8.4
269.10373	18.5
269.21198	31.9
269.24835	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08816	0.9
86.69310	1.0
122.49556	0.9
128.47243	1.0
135.04523	3.9
138.01573	1.1
147.04524	4.5
147.35074	0.9
151.88158	0.9
161.06067	4.0
180.07918	100.0
192.07942	89.9
192.09737	2.0
193.08714	4.3
195.10269	36.5
207.10271	59.8
210.08989	34.4
225.11333	71.2
239.09221	12.5
251.09309	8.5
269.10330	17.7
269.24689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.9
53.30099	1.0
60.99305	1.1
63.08749	1.1
75.97170	1.1
83.89646	1.2
85.02935	2.1
87.00867	100.0
102.50780	1.1
104.92456	1.0
105.01945	1.2
110.02471	1.3
121.02950	1.8
132.49077	1.2
164.30847	1.0
166.06345	73.6
181.08714	63.8
225.22260	1.5
269.10339	24.4
269.13504	1.5
269.21332	17.0
269.24728	11.4
289.37839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.9
53.30099	1.0
60.99305	1.1
63.08749	1.1
75.97170	1.1
83.89646	1.2
85.02935	2.1
87.00867	100.0
102.50780	1.1
104.92456	1.0
105.01945	1.2
110.02471	1.3
121.02950	1.8
132.49077	1.2
164.30847	1.0
166.06345	73.6
181.08714	63.8
225.22260	1.5
269.10339	24.4
269.13504	1.5
269.21332	17.0
269.24728	11.4
289.37839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26628	0.8
55.01871	1.7
73.02936	1.3
74.53875	0.9
104.07253	1.0
137.02332	1.2
150.03232	13.2
151.03969	0.9
165.05533	13.5
181.05067	26.8
182.04192	1.2
182.05849	37.1
195.06636	9.5
196.07434	16.8
197.08211	64.3
202.62341	0.8
207.06628	12.8
208.07420	42.1
217.76227	0.9
223.09796	14.7
236.06947	14.2
239.09317	2.0
251.09276	100.0
258.93649	1.0
269.21310	6.8
269.24966	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.9
53.30099	1.0
60.99305	1.1
63.08749	1.1
75.97170	1.1
83.89646	1.2
85.02935	2.1
87.00867	100.0
102.50780	1.1
104.92456	1.0
105.01945	1.2
110.02471	1.3
121.02950	1.8
132.49077	1.2
164.30847	1.0
166.06345	73.6
181.08714	63.8
225.22260	1.5
269.10339	24.4
269.13504	1.5
269.21332	17.0
269.24728	11.4
289.37839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
56.57169	0.4
59.01389	0.6
147.58759	0.5
187.53085	0.6
211.08717	3.8
225.10378	7.3
225.14984	8.8
226.11121	3.1
239.08324	3.3
253.09830	2.6
254.10626	81.4
269.12970	100.0
269.17676	3.6
269.21213	12.5
269.24829	7.2
277.75076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
75.99917	0.3
78.95910	0.3
80.96583	0.3
111.48142	0.3
120.04541	1.7
134.06093	0.5
195.48369	0.5
198.12874	0.5
211.08794	0.8
225.10301	2.0
226.10776	0.8
226.12575	1.4
239.08304	2.1
241.13498	4.3
242.11754	0.4
251.11835	0.6
253.09805	0.7
254.10619	13.1
269.12982	100.0
269.21194	3.6
269.24829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
50.41903	1.1
62.96429	2.0
66.74496	1.1
69.86798	1.1
81.98211	1.3
85.19086	1.2
86.30800	1.1
87.94037	1.1
96.37128	1.2
106.06615	16.1
112.96398	1.1
120.04534	7.9
122.68841	1.3
133.16928	1.4
136.07675	65.7
148.07707	2.5
153.04111	1.3
155.50748	1.2
190.08694	1.4
200.10789	1.4
214.12439	5.0
218.05786	1.2
219.13338	1.3
223.12444	7.2
224.10831	1.3
225.22154	1.3
242.11868	16.0
251.11852	27.8
263.63751	1.4
269.04282	6.8
269.12979	100.0
269.17642	3.0
269.21225	29.0
269.24805	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.13845	0.5
53.84649	0.4
57.02302	0.5
100.37943	0.5
101.03580	0.5
120.81246	0.7
168.14793	0.6
171.10214	1.0
211.08736	2.4
225.10344	8.0
226.11145	2.9
226.93111	0.6
239.08241	5.0
253.09778	2.5
254.10631	74.5
269.12979	100.0
269.17661	3.5
269.21243	14.6
269.24835	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39595	1.2
57.03444	1.4
59.01381	86.0
75.18176	1.5
88.59125	1.6
99.04525	2.1
100.53972	1.5
109.06619	2.4
109.14458	1.6
120.54576	1.6
155.37924	1.9
165.12788	13.1
171.10281	2.0
181.12384	1.8
183.10240	2.6
207.13902	16.2
209.11894	20.6
225.14989	27.9
251.12961	10.7
259.44281	1.7
269.04224	3.8
269.13986	100.0
269.21323	28.4
269.24609	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32396	1.0
59.01398	1.6
62.28994	1.1
68.56344	1.1
71.06796	1.0
72.99295	1.8
85.02912	1.2
86.05457	1.0
105.32616	1.2
138.47041	1.4
139.45343	1.1
167.10774	1.8
170.05070	1.2
181.12239	1.5
197.15503	4.7
207.13919	16.0
209.11880	1.6
223.13539	9.6
225.10321	1.5
225.14984	43.1
251.12892	18.1
254.10692	6.2
269.04193	25.7
269.13977	100.0
269.17157	3.4
269.21274	16.4
269.24899	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43272	0.7
52.36444	0.7
57.03448	0.9
57.59563	0.7
58.73207	0.8
59.01373	1.0
66.56535	0.7
72.99306	1.0
73.02959	0.9
75.00883	0.8
83.41675	0.8
87.04485	1.0
93.03464	1.1
97.35915	0.9
119.98503	1.1
122.83241	0.9
135.04527	5.7
163.04045	3.4
176.33542	0.9
181.16005	1.3
183.13934	1.2
195.13945	1.2
197.15463	4.1
200.53119	0.8
207.13893	5.9
211.13426	1.6
225.14983	100.0
226.11229	1.0
241.21658	0.9
254.10669	14.2
269.04361	4.2
269.08356	5.3
269.13501	31.3
269.17621	8.0
269.21216	12.1
269.24841	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1761
Annotation	Integrifonol A
Peak:m/z	Relative Intensity
53.15182	1.1
57.03454	14.2
95.54950	1.5
110.13623	1.6
164.93137	2.1
166.91068	3.1
167.14429	40.2
184.92235	2.3
211.13405	50.5
213.14955	8.1
226.93243	10.4
229.14439	33.5
241.18112	100.0
251.16618	1.6
257.26068	1.5
269.04395	2.3
269.17596	93.9
269.21201	42.6
269.24857	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
54.49871	0.5
57.03447	4.3
59.18723	0.5
63.15783	0.6
84.73273	0.6
99.08166	1.6
113.09734	1.1
207.17561	51.0
225.18602	1.1
251.16541	51.7
269.17630	100.0
269.21173	14.7
269.24921	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03431	0.9
59.01382	3.2
64.90972	0.6
71.05022	0.8
82.04069	0.8
83.05016	2.4
89.99348	0.6
99.08169	0.6
106.04097	0.7
111.48453	0.6
132.33372	0.6
152.54697	0.6
159.06873	0.6
185.15495	0.6
197.19098	2.8
200.09459	0.9
223.20641	0.8
225.22249	9.5
242.10524	1.0
251.20174	2.6
269.21240	100.0
269.24814	22.2
270.07056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26831	0.3
59.01399	0.5
71.05015	1.0
85.74584	0.4
92.13232	0.4
110.53679	0.4
111.56601	0.5
115.03993	1.0
139.11284	0.5
147.31583	0.4
155.14337	0.5
155.33133	0.4
195.17578	0.6
222.36819	0.5
223.20786	0.8
225.22244	2.5
242.56737	0.5
251.20186	2.9
269.21259	100.0
269.24728	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.54234	0.3
54.08813	0.4
54.54559	0.4
58.09760	0.4
58.24045	0.4
81.95937	0.4
91.05292	0.5
107.22332	0.4
112.36220	0.5
135.79932	0.4
183.13884	7.8
199.13448	0.8
211.47087	0.4
251.20135	12.7
267.19781	0.7
269.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41631	0.5
62.78028	0.5
73.67815	0.5
75.72870	0.5
79.72105	0.5
81.52710	0.5
90.03374	0.5
101.31131	0.6
136.88008	0.5
151.54675	0.5
185.11842	5.1
197.15471	3.5
251.20200	18.5
264.95038	0.6
267.19754	0.8
269.21252	100.0
269.24661	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
71.05016	16.6
74.17554	0.8
74.59958	0.8
83.05037	2.1
86.51285	0.8
129.41498	0.9
139.53351	0.9
160.90746	1.0
163.88034	0.8
170.89046	1.0
197.19078	4.3
223.20757	6.0
225.22273	44.8
251.20157	9.0
269.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
62.05031	0.2
73.02940	0.4
79.23643	0.2
79.85765	0.2
81.26440	0.2
84.02158	1.0
92.22534	0.2
103.18272	0.2
108.69003	0.2
169.15903	0.2
223.20679	23.6
225.22333	0.5
226.02875	0.2
239.23723	0.5
251.20193	0.9
269.21243	100.0
269.24738	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64161	0.5
56.92785	0.5
67.20612	0.6
81.06612	0.6
152.01025	0.6
153.12791	1.3
182.78236	0.7
191.73837	0.7
222.26114	0.7
225.22105	1.1
227.33308	0.6
269.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13015	0.5
58.93047	0.6
75.47411	0.5
127.11295	0.9
129.16197	0.7
155.10796	11.4
162.82925	0.6
171.10239	3.7
171.69901	0.6
180.34747	0.7
248.40991	0.7
251.20177	15.7
267.19775	0.8
269.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
50.02345	0.8
59.18546	0.9
71.05020	6.9
74.36181	0.9
83.05045	1.6
86.00027	0.8
92.22457	0.9
92.22940	2.4
96.27373	0.8
104.81636	1.0
105.90562	0.9
110.79922	0.9
119.96027	1.0
190.18382	0.9
197.19109	20.1
223.20633	9.0
225.22250	20.6
251.20137	2.0
269.21246	100.0
269.24771	12.3
289.49792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38836	0.6
67.27510	0.5
81.91452	0.5
100.69964	0.6
111.35624	0.7
175.71422	0.6
251.50587	0.6
267.26947	21.8
269.21552	4.9
269.24875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79279	0.8
59.01394	1.0
64.18488	1.0
68.36061	0.9
69.03461	1.1
71.01379	2.6
73.02951	8.5
84.02189	1.1
98.01534	1.0
133.90648	0.9
211.33148	1.1
223.20677	15.9
225.22244	1.9
239.23845	7.3
251.20183	2.3
267.23361	3.8
269.21246	100.0
269.24866	91.7
269.27802	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2487
Annotation	Margaric acid
Peak:m/z	Relative Intensity
71.01377	5.4
71.05005	1.3
73.02946	7.2
81.22713	1.0
120.00922	0.9
169.16096	1.5
223.20741	6.5
225.22264	2.1
239.23811	6.7
251.20207	4.2
254.74358	1.4
267.23331	4.7
269.21234	70.6
269.24866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2488
Annotation	Margaric acid
Peak:m/z	Relative Intensity
56.33860	0.6
59.26217	0.6
59.68339	0.5
61.50667	0.6
61.56779	0.5
66.24826	0.5
87.73219	0.6
97.75935	0.7
140.96187	0.6
193.96408	0.7
265.25522	1.5
267.24008	1.0
267.26941	35.5
269.21310	19.5
269.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2489
Annotation	Margaric acid
Peak:m/z	Relative Intensity
57.90187	0.5
60.83260	0.5
83.81551	0.6
90.34912	0.5
90.63451	0.6
94.46856	0.6
131.20316	0.6
213.17650	0.7
230.22748	0.6
267.27017	4.5
269.24893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64814	0.4
52.63020	0.4
69.64267	0.4
80.84505	0.4
82.61501	0.5
85.15586	0.4
111.39220	0.5
122.55072	0.5
160.42191	0.5
219.81158	0.5
265.25394	0.5
267.26923	10.8
269.24866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80903	0.3
79.95277	0.5
79.95731	11.1
80.96520	4.7
106.98094	4.2
115.40024	0.3
116.43564	0.4
119.05018	1.7
124.00734	100.0
135.76305	0.4
150.33185	0.3
162.05592	0.8
188.07059	0.4
239.09241	0.4
270.04443	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63578	0.9
59.01390	2.0
63.28483	0.9
69.03435	5.9
71.01382	10.7
81.03463	2.6
82.02989	10.9
83.05022	1.7
84.04553	2.5
84.91985	1.1
87.24934	1.0
89.04321	1.2
97.02930	7.9
98.02470	2.9
99.00867	5.5
99.04532	1.3
108.04541	2.9
110.02497	2.4
111.03230	1.5
113.02436	9.1
122.02431	1.6
124.04031	1.4
126.01977	5.9
126.05604	45.6
136.04048	7.9
140.03505	1.3
170.04596	96.2
184.06175	4.9
185.96898	1.2
270.06226	100.0
270.09396	3.4
270.21964	1.4
285.10876	1.2
286.26923	1.3
289.15247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.1
63.05286	0.9
63.99736	1.0
69.03455	5.2
69.31374	0.9
71.01371	8.5
81.03445	1.7
82.02981	10.4
83.05009	1.2
84.04522	2.1
85.03006	1.2
89.02431	2.6
94.92829	1.0
97.02956	10.0
98.02456	1.9
98.03719	1.5
98.06077	1.1
99.00856	5.2
101.96507	1.0
108.04527	5.6
110.02473	1.3
111.03188	2.4
113.02453	9.4
122.90181	1.1
124.30112	1.1
126.01935	6.1
126.05604	45.8
136.04027	5.1
136.11111	1.1
138.74889	1.1
140.03603	1.4
152.03526	1.3
170.04588	98.2
184.06155	1.9
239.63641	1.2
270.06204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1137
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
50.35790	0.2
58.32779	0.2
71.43388	0.3
100.05129	0.2
110.39219	0.3
117.35374	0.3
130.50755	0.3
135.04491	1.2
147.03214	0.4
156.83232	0.3
162.05605	100.0
176.12015	0.3
184.06219	0.3
200.92725	0.3
240.04213	2.0
255.02103	0.3
255.06650	3.7
269.70334	0.3
270.08807	1.1
270.11380	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96545	0.6
93.63232	0.6
97.02953	1.0
99.00866	1.2
108.87491	0.6
109.06570	1.0
109.45554	0.6
111.08126	0.8
113.22997	0.6
114.28101	0.6
163.11252	3.7
181.10869	1.0
181.12354	20.3
207.10292	34.9
225.11346	100.0
249.96730	0.7
270.13501	19.5
292.82224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08942	0.7
117.56422	0.8
181.15987	56.0
224.16582	9.0
225.14973	87.2
230.75494	0.8
242.17625	100.0
243.16006	18.6
270.17114	32.6
270.21631	2.8
270.24796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19949	0.6
58.02968	1.7
58.03584	0.5
59.76258	0.5
64.47960	0.5
65.49838	0.6
71.05006	4.2
76.78099	0.6
92.23144	0.8
99.00877	1.1
118.75505	0.6
135.37534	0.7
153.12849	24.1
208.17079	15.0
209.15480	1.7
226.18132	19.3
235.13477	5.0
252.16061	12.2
253.14531	6.5
255.06572	1.0
270.17130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92126	0.9
53.41330	0.9
54.13925	1.1
57.03444	2.5
58.02964	1.9
66.90034	1.0
67.91832	1.0
74.66765	1.1
95.10658	1.2
167.14410	23.1
198.18629	1.8
208.17035	13.6
209.15477	2.1
224.16682	2.2
226.18135	35.7
253.14418	1.2
270.04257	1.5
270.17123	100.0
270.21613	4.3
270.25009	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2078
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
50.90661	0.5
53.22701	0.5
67.24566	0.5
70.32172	0.6
84.24076	0.6
89.48797	0.7
136.53032	0.6
154.05931	0.6
168.70920	0.6
209.19122	43.2
226.21742	2.8
252.19673	7.6
253.18117	38.7
270.20776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0225
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
54.87914	0.3
65.46132	0.3
78.95902	24.7
78.96365	0.9
92.79359	0.4
96.96954	100.0
130.19304	0.4
138.87164	0.4
164.08485	0.4
186.23817	0.5
238.16217	0.4
253.45647	0.4
271.01947	0.4
274.85107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15380	0.6
58.79744	0.7
59.01375	0.9
65.03963	0.7
72.99295	0.8
73.02946	21.5
81.03440	1.2
83.05013	7.3
85.02936	3.2
93.03453	46.0
96.96964	3.0
99.00909	6.5
99.04520	7.6
111.04514	27.6
113.35658	0.8
129.01942	4.6
137.02448	21.7
143.03525	5.1
152.95915	0.8
154.95662	1.1
155.03516	13.0
170.97084	1.4
172.96835	1.3
173.04555	100.0
269.06876	0.8
271.02280	1.1
285.62537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10249	0.6
59.01375	1.2
62.73167	0.6
71.01368	0.8
72.64454	0.7
78.12611	0.6
78.95458	1.3
78.95904	26.4
80.00054	0.5
83.26577	0.6
87.15572	0.6
93.03445	5.5
93.42708	0.6
96.72770	0.6
96.96954	76.2
102.66965	0.7
111.04491	0.8
137.02403	1.2
140.08511	0.7
155.03491	1.5
173.04552	100.0
191.05675	1.0
271.02264	58.7
271.08408	1.3
271.22668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93124	0.7
58.85095	0.8
59.01390	0.7
60.77303	0.8
63.88421	0.7
65.90308	0.8
68.71582	0.8
70.67854	0.9
76.34835	0.7
78.95905	95.2
87.00862	1.3
93.03431	3.4
96.96957	100.0
111.04530	0.9
123.91183	0.8
132.55574	0.8
155.03595	1.0
162.78612	0.9
173.04597	11.0
193.93474	0.9
209.51068	0.9
271.02274	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0227
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
67.17362	0.8
78.95544	1.1
78.95904	51.4
93.03465	6.8
96.96954	94.6
110.84013	0.8
111.04498	1.5
133.60292	0.8
155.03535	3.6
158.56046	1.0
173.04552	100.0
191.05571	1.6
271.02280	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03444	6.9
59.01383	13.2
59.11127	0.9
71.01366	2.1
72.99303	54.8
81.03460	2.6
83.01394	4.5
83.05024	10.7
85.02946	40.4
95.01344	1.2
95.05015	8.0
97.02921	8.8
97.06573	1.8
99.02006	1.5
99.04530	5.7
108.02186	1.8
108.63720	1.1
109.02935	2.6
109.06568	2.3
111.04510	17.6
113.02431	4.6
113.06080	1.9
121.02879	1.5
121.06580	2.5
122.03700	1.2
123.04498	24.6
125.02416	5.8
127.03996	14.1
135.04518	2.7
137.06075	5.2
138.03246	1.2
139.04036	13.1
141.05559	1.9
153.05598	13.3
155.02382	1.2
155.03464	10.5
162.05653	10.4
163.05946	12.6
165.01942	1.4
165.05577	30.5
167.03516	9.4
179.13431	1.2
181.05067	5.4
183.06601	4.8
185.04539	18.3
191.03445	4.5
208.22667	1.2
209.04558	28.7
213.05617	2.2
227.05630	100.0
241.05043	20.8
256.07443	10.8
271.04575	8.7
271.09659	7.0
271.22772	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97676	0.8
53.16305	0.7
55.51814	0.6
59.01368	0.9
63.15125	0.6
65.00333	0.7
68.99798	0.6
75.00863	1.2
76.03625	0.6
79.37614	0.7
91.95402	0.9
92.99812	5.0
95.01366	0.9
99.00867	4.9
103.00386	1.6
109.02944	20.0
114.97466	0.7
117.83038	0.8
118.17815	0.7
119.42013	0.7
123.00859	0.8
123.04498	1.1
125.02436	100.0
135.98286	0.7
153.01930	3.6
154.02724	0.9
155.03482	2.9
164.98329	0.9
169.01387	3.6
182.02271	1.3
183.03020	11.9
197.00934	87.3
211.02481	11.3
212.03297	10.2
215.05661	3.9
227.05649	5.0
227.12970	1.5
228.77020	0.8
239.02052	1.5
243.05118	40.8
271.04630	39.4
271.16022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.1
58.65586	1.1
66.53562	1.1
67.09229	1.2
67.14452	1.2
72.99312	2.5
74.02458	2.1
78.95905	86.1
85.02924	1.3
87.00865	2.3
88.33775	1.2
93.03439	2.6
96.04542	2.4
96.96954	100.0
97.04089	1.8
99.05611	2.8
111.15628	1.0
112.04044	2.0
112.07692	2.0
120.99636	1.7
122.06130	1.5
124.04052	2.0
137.07198	2.8
139.05125	2.0
143.04637	2.9
151.89413	1.2
152.03520	2.0
155.08229	2.5
165.05521	1.8
165.06703	8.8
173.04556	6.8
181.06232	4.7
197.04594	1.5
209.05830	2.1
220.31096	1.2
225.05125	13.6
239.01854	1.4
253.04674	12.9
255.33751	1.3
271.02246	48.1
271.05072	5.8
271.08377	1.8
271.11887	1.5
271.22702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	14.8
59.01371	4.8
69.12014	3.1
74.02482	25.3
74.99088	8.4
75.68169	3.9
78.95908	5.8
83.01398	4.4
84.00925	4.0
85.91495	3.5
87.00838	4.3
96.04548	43.2
96.96927	34.9
97.04077	14.0
98.02477	5.8
98.06059	5.3
99.00855	7.4
99.05653	27.3
100.00388	12.2
101.97646	3.7
108.04544	22.3
109.02949	4.8
109.04060	4.1
110.02455	8.7
111.01991	5.2
111.04540	4.7
111.97144	3.8
112.04041	22.4
112.07712	28.3
113.03577	13.8
119.04977	5.4
120.99626	35.7
122.06102	25.2
123.04503	4.6
124.04039	25.2
125.03566	28.8
125.04940	3.5
126.05597	17.5
126.16004	3.4
127.05096	6.3
132.78210	3.2
136.01816	4.2
136.99146	16.2
137.07187	33.4
138.05617	16.2
139.05124	20.6
140.07173	4.9
143.04622	45.1
147.05658	18.9
151.04021	3.6
151.05139	13.9
152.01158	4.3
152.03543	33.1
155.08284	26.7
156.02953	4.4
163.05174	4.6
165.05528	9.2
165.06706	73.3
178.01488	7.4
179.04587	15.4
181.06203	49.8
183.07727	6.9
191.04619	6.7
196.02437	6.6
199.07350	4.7
202.59096	3.7
209.05786	31.1
221.38171	4.2
225.05157	100.0
227.06755	17.3
253.04688	98.8
271.02176	7.9
271.05341	45.0
271.11938	6.9
271.22714	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.14579	0.2
54.06224	0.2
57.03444	0.4
59.77647	0.2
63.02399	1.6
65.00326	1.5
77.35909	0.2
83.01361	2.3
94.75855	0.3
95.01389	0.3
107.01389	4.1
111.66354	0.3
115.05502	0.4
116.92847	0.3
119.05065	0.4
121.02958	0.4
124.01614	0.6
125.02439	6.7
125.09658	0.4
135.51300	0.2
137.02420	0.4
147.08206	0.4
151.00377	5.0
153.01929	0.4
157.06593	1.5
161.06062	4.2
165.01929	1.9
165.07170	0.3
169.01425	0.6
173.06088	1.2
175.07597	0.3
183.08197	0.4
185.06065	1.9
197.06090	6.2
199.07587	0.5
209.06056	1.4
211.13370	1.0
215.07149	2.5
225.05637	2.5
227.07138	0.3
241.04970	0.4
243.06584	1.2
253.05075	15.2
264.20624	0.3
271.06143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
58.82055	0.7
60.27697	0.9
63.02388	4.9
64.08982	1.0
65.00324	5.8
66.68439	1.0
67.81038	0.9
83.01384	5.8
85.62633	0.9
93.03460	7.6
107.01395	23.3
109.02956	18.5
117.03447	6.4
117.34917	0.9
119.05019	52.6
145.65427	1.0
151.00366	71.5
161.02472	1.3
165.01971	2.1
169.01407	2.3
177.01952	7.8
185.06097	1.1
188.33490	1.1
209.15428	4.3
213.94926	1.1
235.13437	4.0
236.35217	1.3
242.19191	1.0
253.14526	5.7
271.02628	8.0
271.06143	100.0
271.15488	10.7
271.19162	5.5
271.22757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
54.83759	0.4
55.32281	0.4
59.01391	2.3
71.01363	0.5
72.36253	0.4
75.77036	0.4
78.16146	0.4
83.90488	0.5
87.07881	0.4
93.28257	0.5
97.06678	0.5
109.02912	0.6
116.09135	0.5
132.50525	0.4
149.06116	0.9
165.12840	0.7
181.06590	6.7
183.13907	5.0
207.89357	0.5
209.06096	34.9
209.11783	0.5
211.13451	2.7
227.07153	100.0
227.13028	2.2
253.04984	4.2
253.14455	1.0
256.07480	0.6
271.06143	32.4
271.12085	1.8
271.15549	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
55.01868	1.6
55.52293	1.6
59.01395	2.1
60.09056	2.0
71.01379	8.3
73.02941	3.0
78.95892	2.3
83.01370	3.5
85.02950	4.5
90.40151	1.9
93.03429	1.9
96.96956	8.1
97.06587	7.2
99.00881	4.2
109.06594	1.8
119.63068	1.9
123.08143	3.7
124.98716	2.4
125.06083	7.2
125.09682	33.6
137.06114	6.7
141.09209	4.2
142.99870	17.9
151.07664	2.1
153.05569	3.5
153.09229	13.1
154.99870	17.1
169.08708	7.3
173.00891	24.9
173.04507	13.4
197.04585	21.3
197.08237	4.0
198.82925	1.9
209.08269	3.8
241.07260	16.1
271.02185	10.4
271.08258	100.0
271.15317	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.52293	1.6
59.01395	2.1
60.09056	2.0
71.01379	8.3
73.02941	3.0
78.95892	2.3
83.01370	3.5
85.02950	4.5
90.40151	1.9
93.03429	1.9
96.96956	8.1
97.06587	7.2
99.00881	4.2
109.06594	1.8
119.63068	1.9
123.08143	3.7
124.98716	2.4
125.06083	7.2
125.09682	33.6
137.06114	6.7
141.09209	4.2
142.99870	17.9
151.07664	2.1
153.05569	3.5
153.09229	13.1
154.99870	17.1
169.08708	7.3
173.00891	24.9
173.04507	13.4
197.04585	21.3
197.08237	4.0
198.82925	1.9
209.08269	3.8
241.07260	16.1
271.02185	10.4
271.08258	100.0
271.15317	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
50.62158	0.2
59.12499	0.2
62.82669	0.2
64.06270	0.2
70.56670	0.2
73.01040	0.2
75.04951	0.2
76.85483	0.2
92.23061	0.3
95.50095	0.2
108.02158	0.9
109.02944	100.0
180.06677	0.4
242.06039	0.2
271.08087	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0978
Annotation	396129-53-6
Peak:m/z	Relative Intensity
52.38171	0.5
60.71043	0.6
65.00334	0.7
97.02911	1.1
110.43528	0.6
121.02930	0.7
124.01658	11.2
139.04013	12.4
139.87170	0.6
152.01158	81.4
165.01955	5.8
209.19009	1.2
239.07314	0.9
253.17969	1.4
256.07434	12.8
271.09793	100.0
271.19235	3.0
271.22745	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	396129-53-6
Peak:m/z	Relative Intensity
56.21928	0.4
77.65170	0.5
94.86044	0.6
100.55390	0.5
124.01641	7.6
139.03966	2.7
152.01151	47.9
165.01903	4.2
173.06064	4.8
210.06886	5.3
238.06349	17.5
253.06168	0.6
253.08720	15.5
256.07346	4.7
271.09781	100.0
273.74020	0.6
283.54077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
64.24106	0.4
95.62841	0.4
99.00952	0.5
108.02154	0.4
109.02896	0.6
125.02409	2.3
185.06021	1.9
190.30887	0.5
195.04582	1.0
197.06055	0.6
212.04781	1.6
213.05569	13.1
220.41234	0.4
223.04039	3.8
224.04759	2.5
240.04240	0.8
241.05067	100.0
256.07425	41.9
259.89844	0.5
271.09778	37.9
271.22726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01136	1.4
59.01384	20.8
62.01352	1.3
63.16268	1.0
69.03429	1.3
70.02980	1.5
78.24410	1.1
83.05119	1.2
86.14426	1.3
96.00893	2.5
104.32735	1.4
105.56116	1.3
114.01937	1.8
125.02419	2.0
131.04575	1.7
156.13873	8.0
183.13867	6.1
193.12259	1.4
209.13583	2.2
209.15457	51.3
211.13417	100.0
227.16499	1.7
253.15721	9.6
270.63394	1.3
271.15482	83.7
271.18982	3.2
271.22690	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03439	0.9
63.76157	0.7
65.96432	0.6
67.45130	0.6
73.70837	0.6
87.65856	0.7
125.02473	1.0
206.76440	0.7
209.19122	68.6
227.20155	4.2
253.18102	62.2
265.33554	0.8
271.19174	100.0
271.22449	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1918
Annotation	Actinopolysporin A
Peak:m/z	Relative Intensity
57.03450	15.7
59.01374	2.3
64.71247	1.5
69.03449	10.6
71.05022	25.9
72.15977	1.4
74.96214	1.4
77.03167	1.6
78.78564	1.3
83.05036	8.7
85.02988	1.7
87.00887	2.3
87.04509	100.0
99.08137	2.3
107.08640	3.7
109.06577	8.4
111.08147	2.4
113.09704	9.4
115.03987	1.9
115.61932	1.4
115.76929	1.5
119.05045	2.8
125.06078	3.5
125.09756	6.5
126.90387	1.5
127.07648	35.8
137.09796	2.3
147.11806	11.8
151.00369	7.4
155.10744	2.0
159.10274	19.2
165.12897	11.3
180.06697	1.9
183.13921	89.4
195.13921	7.6
209.11900	2.0
219.16058	1.6
241.05109	1.9
243.80009	1.8
264.52856	1.7
271.06073	3.9
271.11487	2.7
271.15610	14.4
271.19171	64.8
271.22107	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.7
59.01374	2.3
64.71247	1.5
69.03449	10.6
71.05022	25.9
72.15977	1.4
74.96214	1.4
77.03167	1.6
78.78564	1.3
83.05036	8.7
85.02988	1.7
87.00887	2.3
87.04509	100.0
99.08137	2.3
107.08640	3.7
109.06577	8.4
111.08147	2.4
113.09704	9.4
115.03987	1.9
115.61932	1.4
115.76929	1.5
119.05045	2.8
125.06078	3.5
125.09756	6.5
126.90387	1.5
127.07648	35.8
137.09796	2.3
147.11806	11.8
151.00369	7.4
155.10744	2.0
159.10274	19.2
165.12897	11.3
180.06697	1.9
183.13921	89.4
195.13921	7.6
209.11900	2.0
219.16058	1.6
241.05109	1.9
243.80009	1.8
264.52856	1.7
271.06073	3.9
271.11487	2.7
271.15610	14.4
271.19171	64.8
271.22107	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11039	0.3
56.53809	0.3
58.31664	0.5
58.31943	0.4
75.07596	0.4
77.99104	0.4
78.82554	0.4
92.22407	0.6
92.31888	0.4
99.08134	0.9
155.14378	0.6
158.13638	0.5
225.22255	0.9
227.65085	0.5
245.76112	0.5
253.21767	2.4
269.21292	1.8
271.22815	100.0
287.19476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.60450	0.3
55.75782	0.3
56.83331	0.4
57.91762	0.3
58.38836	0.3
85.28159	0.4
95.86654	0.4
99.93324	0.5
106.14371	0.3
133.08047	0.4
184.74052	0.4
197.58235	0.4
203.36874	0.4
224.89256	0.4
225.22191	3.6
253.21790	1.5
269.21194	0.5
271.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85106	0.4
55.94297	0.3
58.09586	0.4
62.30444	0.4
66.90672	0.4
69.45840	0.4
79.96806	0.4
127.11277	0.9
141.12799	0.6
147.82747	0.4
218.47713	0.4
218.77910	0.5
225.22229	2.5
253.21768	2.5
269.21243	1.8
271.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01382	100.0
66.14355	1.2
68.82023	1.2
83.29245	1.3
84.80113	1.3
89.58591	1.2
89.66721	1.1
114.47845	1.5
125.47333	1.2
177.60484	1.2
180.19232	1.2
210.75032	1.2
271.22809	91.0
292.17923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.6
83.25955	0.7
90.08627	0.8
99.96407	0.7
101.24956	0.8
115.67691	0.7
149.35553	0.6
183.79572	0.7
223.20627	2.7
225.22255	80.1
237.99918	0.8
253.21808	1.0
271.22818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.12949	0.6
51.60310	0.6
52.04790	0.6
62.45605	0.7
67.63475	0.9
92.22536	0.9
109.08356	1.0
114.95618	0.8
123.65586	0.8
139.79465	0.8
161.59439	0.8
223.20642	4.4
225.22250	99.3
253.21596	1.7
271.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.84501	0.5
59.01382	0.6
82.04076	0.5
86.16105	0.6
92.22812	1.3
115.42188	0.6
143.10851	0.6
148.01666	0.5
178.05688	0.6
197.19191	0.7
223.20683	1.3
225.22258	67.0
253.21713	2.5
271.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.64001	0.5
54.62447	0.5
59.01365	0.6
61.08070	0.5
65.18601	0.5
71.05016	11.5
115.33287	0.6
139.74947	0.6
183.17554	9.5
186.99660	0.7
197.19118	13.1
208.45122	0.6
225.22238	26.9
253.21802	1.4
269.21259	2.4
271.22812	100.0
272.63922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.37713	0.3
61.90931	0.3
97.84310	0.3
109.63227	0.4
110.47285	0.4
113.09692	2.7
134.63445	0.4
137.85442	0.4
141.12833	3.3
204.41943	0.4
225.22208	3.7
239.76158	0.4
253.21710	2.9
269.20966	1.2
271.22800	100.0
277.50089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99944	0.3
67.42114	0.3
68.55168	0.3
87.91006	0.3
97.06606	0.4
98.83221	0.4
99.08142	4.9
100.47295	0.4
128.23590	0.4
155.14409	4.2
210.10461	0.4
225.22260	7.8
253.21765	1.6
269.21219	1.6
271.22824	100.0
293.41333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62769	0.4
62.76016	0.4
63.19320	0.3
66.81290	0.4
68.41002	0.3
73.69221	0.4
100.17724	0.5
129.50548	0.4
138.06227	0.4
211.20760	1.9
225.22327	0.8
253.21729	1.8
267.94351	0.4
269.21399	0.5
271.22827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32566	0.5
65.40404	0.6
80.52061	0.6
83.05035	1.1
85.06580	8.4
99.08128	1.0
100.42528	0.6
145.86476	0.7
168.72588	0.6
169.15977	9.5
192.53908	0.6
225.22247	18.1
269.21194	1.5
271.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05219	0.3
53.70100	0.3
53.73688	0.3
56.04621	0.3
58.25448	0.4
58.59900	0.3
66.28667	0.3
75.19953	0.3
92.23093	0.7
107.12280	0.4
125.09764	0.4
127.11288	3.1
131.20978	0.4
141.12904	0.4
225.22298	2.7
252.00558	0.4
253.21712	2.5
269.21158	0.6
271.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0568
Annotation	Melandrin
Peak:m/z	Relative Intensity
51.31533	1.6
52.75254	1.6
54.83723	1.9
73.01651	1.8
74.39482	1.8
104.78307	1.9
108.04517	5.3
112.56076	1.7
118.02969	13.8
122.65868	2.4
148.04056	24.7
153.62325	2.2
153.96750	2.0
162.02121	6.0
172.07617	2.9
182.06113	10.0
185.04863	2.5
200.07153	11.2
210.05641	62.5
211.04131	2.1
211.06377	2.8
213.04330	56.7
226.05167	8.1
228.06644	40.9
254.04628	66.9
257.03329	3.8
272.05670	100.0
272.08734	6.0
272.11761	3.0
272.15277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85877	0.3
63.04012	0.3
66.03491	2.4
72.30808	0.4
94.02374	0.6
94.02980	33.0
124.04036	100.0
132.38411	0.4
138.98480	0.4
139.54263	0.4
234.97867	0.5
267.04321	0.4
272.09412	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0932
Annotation	L-thyronine
Peak:m/z	Relative Intensity
55.94934	0.4
77.55322	0.5
81.51915	0.6
85.96155	0.5
98.22321	0.5
107.03802	3.9
107.05018	0.8
108.04553	100.0
110.25512	0.5
119.05019	8.0
120.04534	8.7
151.02742	8.6
152.03534	23.1
164.03500	3.9
169.63321	0.6
184.09789	2.3
188.57220	0.5
228.10347	8.7
245.54340	0.5
254.08221	2.2
272.09259	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70712	2.1
53.02617	2.1
54.03657	2.1
55.02935	2.3
55.92130	2.5
57.92160	2.2
62.68937	2.3
64.84616	2.3
73.20388	2.3
82.90269	2.4
88.02738	2.7
90.42046	2.4
91.94757	2.5
181.12354	100.0
181.13974	3.3
225.11342	42.5
228.12402	10.7
228.16762	3.4
258.10846	2.7
272.11493	5.9
272.15811	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20081	1.7
54.54613	1.3
56.45227	1.2
64.80988	1.3
71.90636	1.4
72.99298	2.3
74.92805	1.4
78.55476	1.4
79.43022	1.5
84.04549	2.9
87.04494	6.7
97.06564	3.0
102.05612	29.9
113.22379	1.6
123.08091	2.1
125.09719	81.5
169.08710	2.9
182.11807	1.8
209.11884	28.7
210.15012	6.0
222.92880	1.4
227.12929	3.3
228.16037	2.8
231.66757	1.7
242.05397	2.0
254.13921	12.6
272.05472	2.2
272.15070	100.0
286.39764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.187
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
53.62033	0.6
56.43174	0.5
180.17586	1.0
193.16069	0.7
198.18636	10.2
204.09749	0.6
208.17085	9.6
209.15488	9.6
211.17064	4.4
221.78625	0.7
226.18141	39.9
241.60355	0.6
259.61685	0.7
272.18701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.3
81.74371	1.8
94.02980	3.5
124.04014	19.3
138.24428	2.1
159.33423	1.9
162.02695	2.5
184.17014	2.3
195.13982	3.4
212.16591	40.1
228.06696	2.3
228.10391	2.4
272.09204	3.5
272.15720	4.2
272.18701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37673	0.5
55.89341	0.6
83.05025	0.8
84.24962	0.6
85.06599	5.4
86.06918	3.2
129.78880	0.7
134.05186	0.7
169.15979	3.0
170.16345	7.8
217.85054	0.7
226.22612	18.9
230.07597	0.7
270.21652	1.5
272.23160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12712	0.7
61.20313	0.6
63.35301	0.6
72.99299	0.7
88.45256	0.7
108.43464	0.7
111.65104	0.7
116.60980	0.8
125.00934	13.0
126.98886	16.4
141.95735	0.6
168.99936	100.0
172.00922	1.0
183.01486	3.9
195.01399	0.8
211.00507	0.8
229.02045	0.9
254.99315	1.6
260.30048	0.7
273.04697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0383
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
71.01357	0.5
78.95898	32.5
79.32094	0.5
80.66988	0.5
81.50439	0.6
82.02996	0.9
83.01378	0.8
83.94650	0.6
88.04051	0.7
89.50872	0.5
91.77191	0.5
96.96958	4.5
98.02434	0.5
100.03979	0.6
100.86964	0.5
110.98520	56.9
111.00845	1.2
121.92933	0.6
128.03441	0.7
145.09821	16.2
147.41220	0.5
153.05560	11.3
176.05637	1.4
183.06631	1.3
211.10770	4.9
229.11885	4.4
241.01204	23.5
273.03839	100.0
273.10696	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02906	0.2
54.02282	0.2
54.84401	0.2
58.41203	0.2
60.44932	0.2
61.01027	0.2
85.02964	0.2
87.90372	0.2
92.22493	0.3
110.34699	0.3
110.56718	0.2
114.40281	0.2
133.71298	0.2
138.84525	0.2
150.65752	0.3
151.00348	1.3
167.14374	0.5
186.03223	4.5
189.01952	5.5
201.15030	0.6
211.13414	2.7
214.02838	0.4
228.04370	0.6
229.05066	100.0
229.14436	1.2
255.02942	0.4
255.12410	2.2
258.05371	0.3
273.04074	10.7
273.07126	0.4
273.10895	0.4
273.13522	1.9
273.17105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0466
Annotation	Dimethylmyleran
Peak:m/z	Relative Intensity
68.10032	0.6
69.41694	0.6
70.99756	0.7
78.35918	0.5
78.95903	1.7
93.03454	0.9
110.98514	3.1
111.04510	0.7
113.02372	0.8
123.95095	0.7
125.00941	9.9
126.98862	12.8
127.02475	1.4
131.18138	0.7
137.02454	1.7
139.02538	1.0
141.00438	6.9
149.00941	1.5
151.02507	3.0
157.03583	3.0
167.02005	1.6
168.99921	87.3
169.03542	4.5
181.03584	1.3
183.01520	2.7
183.05142	0.7
186.99242	0.9
191.02052	0.9
193.03523	3.7
195.01498	35.0
211.01001	4.4
211.04663	0.7
212.97244	1.0
225.02576	3.7
231.03488	4.8
241.01112	0.9
255.03668	5.6
273.04678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
59.01389	5.1
63.43192	0.9
68.52487	1.0
68.99813	4.5
71.01375	6.9
72.83338	0.9
72.99316	1.6
73.02951	5.0
74.49135	1.0
75.00876	4.7
78.95867	1.4
79.27476	0.9
82.00591	4.5
83.00887	2.2
83.01385	59.8
85.02958	1.8
91.03339	1.3
99.00862	1.3
101.02439	6.3
110.00094	13.2
111.00879	100.0
113.02448	2.1
125.03629	1.1
129.01942	2.1
140.17014	1.0
145.09755	1.2
153.05502	2.0
161.04585	8.4
245.06543	1.3
273.06241	48.7
281.15274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16875	0.9
55.01877	4.1
59.01377	4.3
59.88498	0.9
62.30998	0.9
63.54228	0.9
68.99815	6.3
71.01372	8.3
72.99322	1.2
73.02939	7.7
75.00865	4.4
78.60598	1.2
78.61032	0.9
80.97540	1.0
82.00610	9.3
83.01383	69.6
85.02948	4.5
97.02996	1.2
101.02441	4.1
110.00101	14.8
111.00877	100.0
113.02478	2.1
129.01898	4.0
161.04558	8.7
190.28380	1.3
229.52899	1.1
245.06750	1.7
273.06213	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.24006	0.3
58.66217	0.3
59.01384	1.8
64.67945	0.3
66.72691	0.3
69.03455	2.1
75.00875	3.4
76.54371	0.4
83.05033	0.8
85.02952	15.9
85.87189	0.4
87.00860	0.7
87.04510	9.9
91.18693	0.4
93.03483	0.6
95.05045	0.4
97.02951	8.0
99.04514	0.9
101.02425	1.8
102.07015	0.4
107.05027	0.6
108.90639	0.4
109.02962	0.8
109.06593	0.5
111.04507	6.7
111.08157	0.5
113.02444	100.0
115.04005	0.5
121.06586	0.8
123.04556	0.7
123.08141	0.7
123.44778	0.4
125.06074	3.1
127.04021	6.0
131.03548	0.7
137.06076	0.8
139.07660	3.6
141.01933	2.9
149.06075	6.8
153.05588	1.8
155.03485	0.5
165.05609	1.6
167.03497	0.7
167.07159	7.6
169.05072	1.5
178.02696	0.6
181.05092	0.7
193.05058	19.6
199.02484	0.9
211.06107	7.6
213.04335	0.5
255.05174	0.6
273.06195	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28699	1.5
53.61018	1.7
59.23177	1.5
60.45425	2.1
61.07452	1.8
72.13055	1.8
73.02941	4.5
75.04203	1.6
85.02949	42.6
85.03429	3.1
87.04513	26.5
90.95645	1.8
97.02941	12.1
101.02439	17.0
111.04521	10.5
111.08157	2.0
113.01659	3.4
113.02448	100.0
123.04546	2.4
125.06099	2.8
127.04012	13.0
137.06085	4.0
139.07684	7.3
141.01958	2.8
143.70746	1.9
149.06093	15.5
155.03539	2.0
165.05579	4.1
167.07138	21.1
169.05042	6.9
178.02809	2.1
193.05072	67.5
211.06123	32.8
229.07185	10.9
255.05385	2.0
273.03232	3.0
273.06171	86.1
273.09036	3.5
294.84802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.10922	0.7
59.01384	0.9
69.03452	1.5
75.00870	1.6
75.79987	1.0
76.16714	0.9
80.61665	1.0
85.02954	18.3
87.04521	9.8
92.22527	1.1
93.38583	0.9
97.02936	6.9
111.04522	8.7
113.02449	100.0
115.69949	0.9
117.29017	0.9
125.06075	3.9
127.04006	6.9
139.07646	5.1
141.01962	3.7
149.06073	6.1
153.05621	1.1
154.19000	1.0
167.07100	9.4
193.05063	21.3
211.06148	7.4
215.32155	1.2
273.06189	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
69.03465	1.7
75.00883	2.0
85.02948	22.9
87.04502	16.0
97.02941	7.5
101.02453	2.4
109.06609	1.5
111.04512	9.1
111.39238	1.2
113.02448	88.2
125.06084	1.9
127.03993	4.9
134.99567	1.3
139.07692	2.4
141.01938	2.6
141.05406	1.2
144.60809	1.2
149.06082	6.5
153.05582	2.5
167.07121	9.7
169.05066	1.6
172.73941	1.6
193.05052	26.8
211.06110	11.6
213.04114	1.4
273.06210	100.0
276.70306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	(R)-7,8-dihydroxy-alpha-dunnione
Peak:m/z	Relative Intensity
55.87393	0.4
55.88190	0.4
57.07366	0.4
59.01391	1.9
59.48703	0.5
69.03432	0.5
71.01378	0.5
72.03439	0.5
72.99293	1.8
73.02932	1.3
73.67785	0.5
80.68613	0.5
81.03445	0.5
82.61105	0.5
85.02940	1.0
87.00870	10.2
90.12450	0.5
93.03445	0.5
97.02930	1.3
98.48236	0.5
101.02425	2.8
115.00356	1.1
115.62178	0.5
116.02618	0.5
125.02421	1.2
127.00339	0.8
127.03923	0.7
131.04962	0.6
137.02451	0.9
141.07098	0.9
143.78371	0.5
145.06589	3.3
147.04491	7.5
155.08665	0.6
156.43669	0.6
157.06564	4.0
157.07721	0.6
159.08125	1.3
171.04532	7.9
172.05305	0.8
173.06085	5.8
183.08165	2.3
184.05287	2.1
185.06131	2.9
187.07686	0.8
199.07671	1.3
200.04805	0.8
201.05612	1.2
203.07082	4.4
211.07664	2.1
213.05539	0.8
215.07162	13.2
227.07104	2.6
255.06676	5.4
273.07706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1136
Annotation	CHEBI:70157
Peak:m/z	Relative Intensity
50.98211	0.3
53.50366	0.3
54.71172	0.3
67.19969	0.3
72.99316	0.5
82.65347	0.3
91.93049	0.4
109.11211	0.4
130.11285	0.4
141.05591	14.2
173.04672	0.4
173.06126	1.6
183.08194	0.9
255.10217	0.8
273.11365	100.0
273.20782	2.8
273.23499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1135
Annotation	Perilloxin
Peak:m/z	Relative Intensity
50.93898	1.2
59.14875	1.4
71.05009	3.8
71.25811	1.4
85.02946	61.7
92.23092	3.4
93.28697	1.3
97.02921	1.8
99.04505	11.6
113.06071	3.1
123.04562	2.9
125.02440	13.6
131.05019	3.3
141.05586	38.7
147.08151	11.0
161.09729	1.6
163.58389	1.5
164.04825	2.6
165.05365	2.0
166.71567	1.6
168.47691	1.5
173.06075	12.3
201.05635	7.1
203.10780	33.4
217.08653	13.5
235.79643	1.8
255.10271	26.1
273.08313	4.5
273.11346	100.0
284.69772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28741	1.0
59.01375	7.4
70.34081	0.9
86.64503	1.1
92.23026	1.4
98.22060	1.1
101.97574	1.1
110.02466	2.3
110.06103	1.5
135.57156	1.0
136.04025	7.2
136.07661	29.1
136.10629	1.1
147.03285	1.7
149.04848	2.4
162.05594	11.0
191.60439	1.2
197.08492	5.9
201.07965	2.9
208.82317	1.1
211.05124	5.5
212.10831	22.9
215.09486	7.1
225.06726	22.2
226.07497	26.8
227.08345	6.1
230.11873	20.9
240.09094	28.6
243.07722	4.8
244.08505	2.2
254.10490	1.9
255.11406	100.0
258.10077	10.8
273.12476	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1346
Annotation	oscr#7
Peak:m/z	Relative Intensity
51.13425	0.9
54.35796	1.1
58.77073	1.1
59.01377	4.7
62.61751	1.0
64.83221	1.2
71.04996	1.4
73.02928	1.4
74.81992	1.1
80.07614	1.1
166.24867	1.1
167.14413	33.2
183.13942	6.2
184.70085	1.2
187.04057	2.5
211.13414	87.9
213.11417	4.7
220.66093	1.2
226.22896	1.1
229.05080	20.4
229.14450	39.3
245.23965	1.3
255.12404	84.2
273.07690	6.8
273.13492	100.0
273.16690	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52231	0.7
52.53201	0.7
53.03656	0.7
56.31461	0.6
58.71221	0.7
59.96809	0.7
104.22212	0.9
111.16309	0.7
123.87745	0.9
138.09393	0.8
150.85010	0.8
187.57660	0.9
193.16049	3.9
211.17052	21.8
227.14282	0.8
227.16547	57.7
237.14954	6.3
255.16058	18.4
273.17123	100.0
294.02173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.00595	1.3
59.01383	11.6
63.46701	0.8
64.01889	0.8
64.98972	0.8
71.01379	10.9
71.05009	3.3
71.78890	0.9
73.02956	4.9
83.05008	2.1
99.04489	1.3
99.08167	1.9
101.06089	11.4
108.47131	0.9
111.04528	1.0
111.08137	3.5
112.91605	0.8
113.06089	1.7
113.09740	3.8
115.03994	8.2
127.11293	7.0
129.05569	4.7
129.09183	4.8
137.09731	1.2
139.11336	6.7
145.05074	4.7
155.10825	6.2
175.14902	1.3
193.15987	3.9
197.15424	1.5
201.14963	3.7
255.16061	12.2
258.32797	1.0
273.17105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	2.7
73.02942	100.0
98.78848	0.4
103.77875	0.4
142.13550	0.4
155.14375	0.4
172.94115	0.4
178.61893	0.4
199.13356	0.5
231.76140	0.5
273.17111	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.1
59.01147	0.8
59.01385	16.9
71.01377	10.3
71.05020	1.8
73.02945	8.0
74.36743	0.9
83.05026	4.6
85.02914	1.1
85.32446	0.8
96.56173	0.9
97.02976	1.4
99.04513	1.9
99.23667	0.9
101.06075	8.1
113.06045	1.0
115.03983	21.6
127.11232	7.3
129.05573	5.3
129.09193	2.0
137.09810	1.0
139.11298	7.8
145.05072	15.0
152.86238	0.8
155.10779	5.0
167.14418	1.9
175.14888	4.0
193.15974	1.7
211.13423	5.8
229.05032	5.8
229.14371	1.3
232.15674	0.9
255.12379	4.2
255.16013	2.1
273.13666	6.3
273.17090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01383	16.9
60.99882	0.7
65.86716	0.8
67.48905	0.7
71.01379	9.0
71.05012	4.1
72.92898	0.8
81.47332	0.7
83.05041	1.5
99.08164	9.2
101.06054	2.0
103.89283	0.8
105.01904	1.7
109.06585	1.8
111.08155	18.0
112.21532	1.1
127.07691	1.8
129.09209	8.1
130.92554	0.9
137.06099	1.1
137.09714	3.3
139.11284	1.9
141.09251	1.0
142.44290	0.9
143.40579	0.9
155.07150	24.5
155.10757	17.1
158.30099	0.9
165.12843	1.7
173.08221	1.8
177.12787	1.0
179.01653	0.9
184.68202	0.8
191.05577	1.0
193.15996	1.1
199.09789	3.3
201.14983	2.0
237.14883	4.5
255.16077	5.3
273.13593	4.1
273.17081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33562	0.7
56.64743	0.7
57.03448	1.1
59.01109	0.8
59.01384	17.2
62.20594	0.8
65.33151	0.8
68.00178	0.7
70.19165	0.7
71.01375	3.7
71.05044	1.3
73.02970	0.8
83.05013	1.1
84.02200	1.2
87.04510	0.9
96.33820	0.8
99.04513	1.0
99.08152	7.7
112.37415	0.8
115.04005	56.8
115.04826	1.9
115.25927	0.8
127.11262	5.2
137.09712	1.9
139.11287	29.7
139.76898	0.9
155.10786	4.9
157.12328	4.6
181.12331	1.0
193.15894	1.0
201.14871	0.9
237.15045	1.0
255.16130	1.1
273.17102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35378	0.4
59.01394	0.5
65.82089	0.5
69.03413	0.6
71.05026	5.7
73.02937	0.8
75.00873	2.2
83.05029	2.2
84.93939	0.5
92.22516	0.6
112.05373	0.5
121.40067	0.5
125.09708	1.0
126.86475	0.5
127.11314	2.6
155.10815	1.1
165.09163	0.9
171.10243	6.3
181.12334	0.7
183.10185	0.7
199.13452	6.6
201.11359	20.0
214.07570	0.7
215.12863	8.2
217.14491	0.8
231.11235	0.6
237.15025	4.0
255.15994	3.0
273.05344	1.9
273.08813	1.8
273.17102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07709	0.8
58.00589	1.5
59.01384	11.1
63.73023	0.7
71.01379	9.4
71.05030	1.8
73.02956	6.9
76.85916	0.9
83.05012	4.6
85.06616	1.0
97.02936	1.4
99.04498	1.2
101.06099	7.5
111.04544	1.5
115.04002	14.6
123.68446	0.9
124.75305	0.8
127.11269	7.5
129.05554	13.2
137.09691	1.5
139.11292	13.6
145.05070	8.1
155.10768	3.8
175.14880	5.0
185.74837	0.8
193.16026	6.5
199.13414	7.8
237.15018	2.1
255.15990	9.8
273.17090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11765	1.7
59.01369	5.1
62.98595	2.0
75.64980	1.8
88.10852	2.0
89.19812	1.8
153.01161	2.0
175.14929	2.7
205.17981	2.0
229.19641	21.9
236.40825	2.0
273.15652	3.9
273.18625	100.0
273.23224	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11626	0.7
60.75258	0.7
71.05005	7.7
76.98777	0.8
80.83939	1.0
83.05020	1.0
87.04507	0.8
101.06065	11.9
103.96723	0.8
129.45181	0.9
155.14417	18.2
166.63963	0.8
185.15492	7.1
197.19012	0.9
199.13492	1.7
209.19118	3.3
211.20689	1.2
219.94850	0.8
227.20171	13.1
255.19681	3.5
262.08612	0.8
271.19159	0.8
273.20737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2074
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
59.01376	0.7
61.07354	0.6
63.24882	0.6
71.01376	1.0
71.05022	7.8
87.04498	0.8
89.86800	0.7
100.11670	0.6
100.67948	0.6
101.06079	5.6
101.84612	0.7
155.14439	15.3
161.52650	0.6
175.05640	0.6
185.15425	3.3
197.19168	2.4
199.05527	0.6
199.17093	2.5
199.72264	0.6
209.19145	3.4
227.20219	9.4
255.19690	3.2
270.34329	0.7
271.19122	3.0
273.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0936
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
58.22720	1.0
59.01389	1.0
67.19878	1.0
67.51489	1.1
71.01373	4.8
72.04533	2.2
72.99290	1.1
75.14694	1.0
82.02979	20.9
83.01415	1.5
98.02473	36.5
99.02765	1.5
100.04045	16.2
100.07693	5.4
115.00352	7.9
126.01958	1.5
128.03523	2.6
128.10797	12.5
129.01964	1.9
136.04025	2.4
146.07089	1.7
146.08235	43.0
148.07721	2.9
154.05095	1.9
156.10287	6.5
166.08760	29.6
176.06847	1.2
182.08226	2.8
184.09772	14.6
198.04012	2.0
212.09314	100.0
228.08875	5.0
230.10326	24.9
242.03122	5.7
256.04706	1.8
256.08133	1.8
274.06165	3.7
274.09360	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22720	1.0
59.01389	1.0
67.19878	1.0
67.51489	1.1
71.01373	4.8
72.04533	2.2
72.99290	1.1
75.14694	1.0
82.02979	20.9
83.01415	1.5
98.02473	36.5
99.02765	1.5
100.04045	16.2
100.07693	5.4
115.00352	7.9
126.01958	1.5
128.03523	2.6
128.10797	12.5
129.01964	1.9
136.04025	2.4
146.07089	1.7
146.08235	43.0
148.07721	2.9
154.05095	1.9
156.10287	6.5
166.08760	29.6
176.06847	1.2
182.08226	2.8
184.09772	14.6
198.04012	2.0
212.09314	100.0
228.08875	5.0
230.10326	24.9
242.03122	5.7
256.04706	1.8
256.08133	1.8
274.06165	3.7
274.09360	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90152	0.6
55.13641	0.7
58.18986	0.8
72.99305	16.9
75.00868	76.1
78.54368	0.7
81.32862	0.8
82.08900	0.7
121.37212	0.7
198.15057	6.2
210.14850	2.0
214.75169	1.0
274.07254	5.6
274.16617	100.0
281.11127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63883	0.5
61.01012	3.1
71.01379	8.2
99.48343	0.5
115.00365	82.4
116.00669	0.7
128.03552	2.1
146.04518	0.5
159.01059	80.9
202.19685	0.6
203.08307	2.9
220.08209	0.6
275.02200	100.0
297.11282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.022
Annotation	GW 9662
Peak:m/z	Relative Intensity
61.01021	3.3
71.01374	8.6
84.42568	0.7
102.05612	1.8
115.00359	78.6
116.04992	1.0
117.19141	0.8
128.03537	9.3
146.04611	6.9
146.05713	0.8
159.01065	74.4
203.08270	4.1
275.02197	100.0
275.08667	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	1.9
59.01397	2.1
61.29541	1.1
63.96238	12.2
70.02958	1.2
72.99306	56.5
78.98589	63.1
86.17622	1.3
87.00888	1.6
93.03432	1.9
101.02431	6.1
121.02972	2.3
122.03729	9.5
123.04505	22.8
124.76613	1.4
131.04622	6.4
133.02963	2.4
134.03709	20.0
137.02460	10.3
139.03987	5.0
145.03004	1.5
146.02472	6.2
149.06100	2.8
150.03131	1.7
151.04004	100.0
155.04633	3.3
160.04048	2.5
172.03992	1.4
173.05682	5.2
178.02734	25.2
179.03461	1.6
188.03561	1.7
189.06712	1.4
195.02995	16.3
197.04709	1.7
201.02307	29.8
213.02185	2.6
239.06767	1.8
257.01324	1.5
275.02332	84.6
275.08746	2.0
275.11520	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0233
Annotation	GW 9662
Peak:m/z	Relative Intensity
52.76197	1.6
54.84868	1.7
59.01393	2.5
59.54007	2.0
63.96237	11.7
72.99300	58.1
74.24525	1.9
76.27768	1.9
78.98591	63.1
115.03977	3.2
116.92854	3.0
122.03706	10.2
123.04508	22.9
127.05121	3.4
134.03729	24.8
137.02431	10.9
139.04053	2.9
149.06064	5.0
151.04005	100.0
163.99530	2.1
175.05045	3.1
176.03516	3.8
178.02676	27.0
183.55064	2.3
195.02962	15.7
196.03757	3.0
197.04649	2.7
201.02306	24.4
204.02986	3.1
213.02280	2.6
257.06750	3.2
259.21198	2.2
275.02332	96.2
275.06915	7.0
275.10547	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34358	0.2
59.01371	0.3
63.85179	0.2
63.96261	0.2
69.45345	0.2
74.58141	0.2
79.95266	0.4
79.95728	7.8
80.93647	0.2
80.96516	4.2
91.69336	0.2
93.76952	0.2
95.05013	0.4
98.49416	0.2
100.25100	0.2
111.46523	0.2
139.11269	0.3
172.99100	2.3
183.10234	0.3
188.01494	5.4
197.04930	0.2
201.11368	0.4
255.68382	0.2
257.08475	0.3
260.07285	1.3
275.09622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81237	0.3
52.98252	0.3
56.85467	0.3
59.01373	0.5
71.15339	0.4
72.00907	6.9
74.02472	12.8
86.93389	0.4
87.00871	0.4
87.02702	0.4
101.02445	2.0
111.00842	0.5
116.05051	36.5
129.05804	0.7
130.06596	0.5
139.04033	0.4
142.06625	8.0
157.07623	0.5
159.09282	12.1
186.05554	3.0
203.08284	100.0
212.55760	0.4
275.07828	1.2
275.10852	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.0
63.91494	0.9
64.58097	0.9
72.99310	2.6
75.00813	0.9
80.96519	1.0
84.01841	1.1
84.99319	4.6
88.04037	2.5
90.05819	1.0
103.00368	12.5
105.01939	2.5
114.01949	1.4
125.09703	7.6
145.74220	1.0
151.11307	9.5
155.10797	7.4
169.12346	100.0
171.10277	99.4
187.09744	10.9
195.10143	1.1
201.11377	1.1
213.11342	34.2
220.35857	1.3
231.12386	71.2
249.04297	1.1
275.02509	1.2
275.05893	2.3
275.11407	12.4
275.14618	1.6
275.18469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.0
63.91494	0.9
64.58097	0.9
72.99310	2.6
75.00813	0.9
80.96519	1.0
84.01841	1.1
84.99319	4.6
88.04037	2.5
90.05819	1.0
103.00368	12.5
105.01939	2.5
114.01949	1.4
125.09703	7.6
145.74220	1.0
151.11307	9.5
155.10797	7.4
169.12346	100.0
171.10277	99.4
187.09744	10.9
195.10143	1.1
201.11377	1.1
213.11342	34.2
220.35857	1.3
231.12386	71.2
249.04297	1.1
275.02509	1.2
275.05893	2.3
275.11407	12.4
275.14618	1.6
275.18469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1501
Annotation	oscr#1
Peak:m/z	Relative Intensity
50.70642	0.8
69.35654	1.2
70.84698	0.8
72.88071	1.1
86.77341	1.0
92.23056	1.4
93.03407	1.1
99.80980	0.9
123.10125	1.0
151.02109	0.9
163.94397	0.9
195.13884	1.2
199.13406	56.5
211.13406	49.8
213.15019	3.6
215.12904	1.4
224.52109	0.9
227.12926	4.5
239.12823	1.7
257.13925	6.0
275.15027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1503
Annotation	oscr#1
Peak:m/z	Relative Intensity
57.03456	1.1
59.01382	0.9
80.70061	0.6
83.78444	0.8
92.22478	0.7
111.08141	1.0
139.11292	74.6
140.02731	3.1
174.43616	0.7
183.10277	45.4
184.07806	0.8
197.04907	8.7
201.11343	100.0
275.02664	4.7
275.15045	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1658
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
59.35508	0.8
64.09328	1.0
64.28702	1.0
71.01762	1.1
71.37576	0.9
79.71257	0.9
91.63362	1.0
106.92049	1.1
116.92797	1.5
119.73694	1.0
140.02731	2.4
151.40024	1.1
195.51906	1.1
197.04898	9.3
209.75383	1.2
213.16502	6.6
231.17625	2.2
233.99590	1.1
275.02670	6.3
275.16568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1656
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.20840	1.7
53.98500	1.6
57.03442	3.5
62.87853	1.7
67.04375	2.0
83.05045	4.1
93.94791	2.3
105.07075	2.7
121.06612	3.2
137.09747	9.6
140.02710	7.6
195.43752	2.0
197.04881	16.8
213.16486	16.9
231.13948	2.7
231.17535	9.9
241.12430	2.3
257.15607	8.9
275.02759	9.3
275.13464	5.5
275.16574	100.0
275.20123	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37717	0.7
62.70921	0.8
64.14909	0.9
72.99320	8.9
73.02947	6.3
75.00868	72.1
92.22450	1.9
103.54841	0.9
147.02097	1.0
150.45248	1.0
183.17593	1.0
194.17038	1.1
213.18544	1.3
274.37479	0.8
275.18686	100.0
279.45734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.47543	1.4
52.96289	1.2
59.01371	3.1
61.17149	1.5
64.56185	1.6
85.04760	1.4
87.27962	1.4
87.75848	1.4
90.98314	2.3
117.97236	1.4
140.02673	1.8
197.04893	9.8
203.04054	1.7
231.21132	6.0
248.15379	1.5
256.72562	1.8
275.02640	2.7
275.17209	3.9
275.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45690	0.9
55.16753	1.0
59.01377	2.9
70.67690	1.2
102.35834	1.2
116.92863	1.8
121.84624	1.4
140.02733	5.8
156.66153	1.3
197.04875	13.7
204.31894	1.2
231.21135	3.1
275.02615	7.4
275.16998	8.9
275.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
60.56255	0.9
71.01344	0.9
133.90822	1.1
156.15952	1.1
177.16464	1.9
208.96976	1.1
231.21091	7.5
275.20190	100.0
297.37491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36699	0.9
57.44302	1.0
59.01381	2.3
66.58600	0.8
72.10339	1.3
73.95663	1.0
76.81546	1.1
93.49564	1.1
99.77840	1.0
119.80639	1.0
127.58600	1.0
173.75481	1.2
177.16582	1.2
192.81952	1.0
200.00970	1.0
231.21162	5.9
256.68945	1.3
275.20193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
57.03453	31.9
63.26042	1.3
68.92187	1.7
83.05016	15.0
98.47571	1.5
115.09538	1.6
121.06560	2.6
123.08139	28.5
137.09712	4.1
160.66733	1.6
187.14894	21.6
197.04912	3.3
205.16052	2.7
215.17883	2.7
233.19131	11.5
241.16011	1.9
257.19031	3.9
275.17117	4.0
275.20197	100.0
291.26575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.2
61.96064	0.9
65.30142	1.0
71.74635	1.0
73.85561	1.0
83.87297	1.1
91.83701	1.0
99.25474	1.2
125.72078	1.2
127.39854	1.2
140.02698	4.0
159.91415	1.2
197.04823	9.9
231.21118	8.8
275.02747	2.2
275.20187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2022
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01379	6.3
65.31847	0.9
74.73421	0.9
106.04743	1.0
130.00806	1.1
140.02742	1.6
177.16486	1.3
197.04883	12.3
231.21147	5.5
246.92110	1.1
275.02670	6.1
275.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.202
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
57.66285	1.0
59.01381	1.8
117.66301	1.2
133.11775	1.2
140.02728	6.6
197.04893	17.7
231.21217	6.0
233.63097	1.2
268.47293	1.2
275.02710	10.2
275.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
57.03230	1.4
57.03453	20.2
59.01375	2.4
60.28995	1.1
74.37401	1.2
76.70605	1.3
83.05025	9.3
97.06588	3.2
123.08176	15.1
137.09682	2.0
187.14851	2.5
197.04884	7.8
215.18057	2.5
233.15559	6.0
233.19092	8.1
257.19223	1.8
275.02615	2.4
275.13806	2.3
275.16641	12.9
275.20193	100.0
280.77335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0667
Annotation	7-Oxodehydroasimilobine
Peak:m/z	Relative Intensity
58.36353	0.5
63.63416	0.4
65.70425	0.5
74.16924	0.5
75.69850	0.4
131.35866	0.5
155.81366	0.5
176.48885	0.6
205.05336	2.1
209.04868	1.1
221.04822	0.6
233.04816	100.0
248.03409	1.2
248.07179	28.5
261.04343	14.7
276.06656	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0878
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
56.95678	0.8
57.20222	0.8
58.27559	0.9
58.87656	0.9
66.04471	0.8
79.82375	0.8
80.05068	4.2
93.03432	2.2
96.04543	1.0
97.02978	1.9
104.30125	0.9
104.36033	1.0
106.04234	1.1
107.05034	22.1
112.04035	24.4
119.04993	1.9
124.04025	12.7
126.05605	6.7
134.06100	5.2
137.06956	1.0
163.04132	1.2
173.04817	0.9
173.08443	1.6
188.10828	100.0
202.08728	2.1
214.08798	1.0
232.09908	7.9
276.08789	41.7
293.52618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35330	1.1
57.25990	1.3
57.82222	1.1
62.77373	1.5
64.77869	1.1
77.31474	1.2
82.02976	16.7
92.05060	58.8
109.04046	9.7
136.02974	2.6
136.04045	79.9
139.05135	18.3
147.09279	10.4
148.04063	10.8
191.08290	2.1
204.11427	15.3
210.52577	1.6
221.55927	1.5
228.06496	1.5
232.11005	12.5
248.10371	10.5
276.09915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1244
Annotation	Pinthunamide
Peak:m/z	Relative Intensity
73.92957	1.1
78.07824	1.2
85.99043	1.0
91.05523	7.8
118.06563	1.5
128.07176	35.4
128.64561	1.2
138.59114	1.3
138.60132	1.4
163.77245	1.2
174.17159	1.3
185.35826	1.2
191.05647	2.5
204.13971	1.8
232.13437	100.0
276.09573	1.5
276.12509	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1243
Annotation	Convolidine
Peak:m/z	Relative Intensity
51.59399	0.6
57.55394	0.8
60.61609	1.0
68.05830	0.7
72.00906	3.3
75.43631	0.8
91.05531	7.3
91.05993	0.7
110.06113	54.7
128.07166	5.1
134.22798	0.9
143.83731	1.0
147.04526	27.2
155.23233	0.8
164.07187	100.0
249.03940	0.8
276.12421	53.1
291.80856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10029	0.9
57.18374	0.7
62.23501	0.9
71.40424	0.9
78.95892	40.7
96.96952	15.3
108.45522	1.1
112.72073	0.9
131.42123	1.0
134.76421	0.9
149.69078	0.9
164.99429	0.9
169.36783	0.9
178.96049	12.9
196.92633	5.8
198.90547	100.0
204.09554	1.0
206.23053	1.0
214.93665	6.4
216.91631	28.3
230.40404	1.1
240.91602	49.4
258.92661	89.7
272.00702	1.0
276.93256	1.5
292.53802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9887
Annotation	2-C-Methyl-D-erythritol 2,4-cyclodiphosphate
Peak:m/z	Relative Intensity
59.01384	0.6
67.84635	0.4
73.25896	0.5
78.95907	80.1
87.27176	0.4
96.96961	28.1
118.18207	0.5
120.13004	0.5
158.92462	3.4
171.02980	0.6
178.05164	4.6
179.01167	9.7
189.02083	0.6
197.02350	0.5
234.04109	2.0
239.05817	0.6
249.95808	0.5
258.97778	1.2
276.98865	100.0
277.21698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19126	0.5
52.53623	0.5
59.01382	1.1
59.57104	0.5
70.98222	0.5
76.47476	0.6
78.95905	92.9
85.27041	0.7
86.36273	0.5
88.50526	0.6
92.22487	0.7
96.96955	38.9
107.47089	0.6
110.89870	0.6
123.15720	0.7
124.41904	0.8
146.08244	5.8
158.92551	3.9
179.01144	11.7
192.54309	0.5
216.94797	0.6
276.98862	100.0
277.12216	3.2
277.21783	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0025
Annotation	Tichocarpol B
Peak:m/z	Relative Intensity
58.22321	0.6
59.01382	1.6
72.99287	0.6
75.00866	2.7
79.95724	7.5
80.96514	6.1
89.02457	1.1
107.05021	2.8
119.85255	0.6
121.04740	0.7
130.06676	0.9
133.02963	1.7
135.04530	22.8
151.03976	0.9
153.71582	0.7
179.03470	3.5
182.76067	0.7
201.99345	0.9
215.00214	100.0
230.06702	0.8
230.99643	11.5
255.46706	0.7
258.99200	27.3
277.00262	89.0
277.07159	3.7
277.10590	1.1
277.16571	4.6
277.21725	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22321	0.6
59.01382	1.6
72.99287	0.6
75.00866	2.7
79.95724	7.5
80.96514	6.1
89.02457	1.1
107.05021	2.8
119.85255	0.6
121.04740	0.7
130.06676	0.9
133.02963	1.7
135.04530	22.8
151.03976	0.9
153.71582	0.7
179.03470	3.5
182.76067	0.7
201.99345	0.9
215.00214	100.0
230.06702	0.8
230.99643	11.5
255.46706	0.7
258.99200	27.3
277.00262	89.0
277.07159	3.7
277.10590	1.1
277.16571	4.6
277.21725	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85021	0.3
78.95905	22.7
78.96369	0.7
83.12046	0.3
89.02390	0.4
93.22878	0.3
95.01324	0.4
96.96957	100.0
100.18842	0.4
113.99577	0.4
129.33420	0.4
179.05675	0.6
190.32556	0.4
190.57385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0356
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
50.61198	0.7
122.03733	1.0
161.02461	0.9
174.03195	1.5
177.05643	1.3
189.01938	4.1
190.02722	16.5
193.01418	6.9
193.05090	4.2
203.03473	10.5
216.00708	1.2
217.01530	1.0
221.04601	4.7
231.02960	15.2
233.15549	1.4
249.04063	100.0
277.03571	87.4
277.21808	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98249	0.5
55.33206	0.5
74.63078	0.5
115.89310	0.5
117.03737	0.5
133.02913	0.6
134.03728	0.9
135.04520	93.2
135.97993	0.6
161.02467	4.2
179.03502	100.0
233.32915	0.6
277.07208	20.9
277.21677	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33996	0.8
66.55038	0.9
75.12775	0.8
85.02951	1.6
97.02944	5.6
103.13760	0.8
111.39584	0.8
115.03996	29.5
115.60976	0.8
133.02928	9.2
134.03752	3.2
135.04526	78.2
161.02444	100.0
161.92426	1.1
179.03500	57.0
199.25856	0.8
210.71938	1.1
233.50917	0.9
277.07236	4.7
277.21741	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.2
59.01382	100.0
61.45816	1.2
61.66911	1.5
64.70885	1.3
68.39433	1.3
71.01376	44.0
73.73460	1.4
76.17905	1.6
79.57397	1.4
83.01350	1.4
85.02946	8.5
89.02439	53.9
95.01373	2.3
97.02942	10.5
98.84116	1.5
101.02435	29.7
113.02430	24.1
115.04016	5.1
119.03501	21.6
125.02448	1.3
131.03487	1.8
145.33183	1.5
148.75540	1.8
161.04602	3.0
179.05637	3.4
277.09305	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35117	0.9
52.32818	0.9
59.01383	100.0
69.84103	1.0
70.62960	1.0
71.01380	49.1
72.99290	1.2
78.95903	41.6
83.66347	1.1
85.02929	11.5
87.00906	1.5
89.02440	67.8
95.01372	2.4
96.96961	40.8
97.02930	14.5
101.02441	32.4
101.13223	1.2
113.02425	23.0
113.99561	5.9
115.04011	5.4
119.03484	26.8
131.03442	1.6
143.03513	2.7
161.04573	2.2
179.05641	2.1
184.70668	1.4
189.02245	1.6
189.05939	1.6
220.47812	1.1
277.01019	4.7
277.05869	6.3
277.09311	32.2
277.21790	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
51.28180	1.6
51.90826	1.4
59.01385	100.0
64.15725	1.4
65.41457	1.4
69.40914	1.2
71.01379	47.0
78.37486	1.8
83.01369	2.3
85.02959	12.5
89.02444	71.9
97.02953	22.1
101.02448	27.8
112.66842	1.8
113.02441	28.6
115.04012	12.4
119.03489	26.6
120.83492	1.7
131.03523	7.0
143.03514	2.6
147.58366	1.6
161.04601	15.2
179.05524	6.3
216.71399	1.7
277.09271	30.0
277.21823	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
57.25699	0.9
59.01384	51.7
64.90005	0.8
68.75996	0.7
69.03390	0.7
71.01382	26.5
72.99301	1.1
73.02940	0.8
76.24951	0.9
78.95904	24.6
85.02944	5.9
86.28760	0.8
87.00903	1.3
89.02440	37.6
92.22545	1.3
95.01398	1.9
96.96957	100.0
97.02949	8.0
99.00906	1.0
101.02451	19.9
103.04012	2.0
113.02437	13.0
113.96856	0.9
114.11914	0.8
115.04004	1.2
118.11932	0.9
119.03487	12.8
120.77162	0.9
143.03502	0.9
146.99007	0.8
148.03952	1.0
155.74866	0.9
161.04553	1.2
172.40453	0.8
173.04504	1.3
173.07268	0.8
201.75644	0.8
277.06030	1.9
277.09277	16.3
277.21609	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94455	1.9
52.47622	1.8
59.01382	100.0
71.01380	54.3
71.05041	2.0
73.02949	3.1
85.02931	8.7
89.01881	2.7
89.02434	73.6
95.01381	3.6
97.02930	18.9
100.06742	2.1
101.02442	31.5
113.02452	24.3
115.03999	34.4
119.03474	25.8
133.57344	2.2
143.03563	3.0
147.06645	2.7
161.58902	2.2
277.09296	30.8
277.21640	4.5
278.29874	2.6
299.95386	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
55.14915	1.3
59.01384	55.5
65.14508	1.3
69.03441	1.6
71.01379	30.2
72.99304	2.9
81.03452	3.1
83.01395	3.5
85.02943	30.9
86.17656	1.3
89.02436	38.2
97.02945	20.7
100.63345	1.4
101.02445	13.1
113.02428	8.6
115.03999	58.0
119.03483	7.8
124.70033	1.5
131.03505	31.8
140.84909	1.3
143.03458	2.8
158.65004	1.8
161.04559	100.0
179.05592	11.8
249.47427	1.9
277.09335	36.2
277.21753	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	2-Ethylhexyl phthalate
Peak:m/z	Relative Intensity
89.11482	1.6
99.66138	1.7
107.05034	3.7
111.83173	2.1
115.26405	1.8
115.28537	1.9
121.02963	36.2
122.84766	2.1
127.11279	53.6
129.12845	2.1
134.03746	100.0
135.04514	2.6
147.00888	12.5
233.15460	9.8
258.51443	2.2
277.14474	78.0
277.21729	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
60.52060	0.7
73.16814	0.7
99.54612	0.7
120.02134	9.0
121.02948	100.0
123.60609	0.8
133.27789	0.8
134.22079	0.8
142.02449	1.4
183.36264	0.8
199.04578	4.8
277.02234	1.6
277.14478	46.8
277.21689	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91066	1.5
52.45223	1.4
55.36581	1.4
59.01386	1.7
61.42113	1.5
93.03471	4.1
94.04252	14.0
108.02167	12.2
119.74372	1.9
121.06544	2.1
137.09698	15.6
142.02420	3.6
149.09769	1.8
171.11832	2.6
175.85771	2.1
187.14944	33.8
199.04607	14.2
199.65170	1.9
205.15997	3.5
215.14427	28.9
228.40562	2.1
233.15416	8.4
269.57703	2.0
277.02475	7.9
277.07330	2.9
277.14700	11.0
277.21780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1447
Annotation	Isoacrostalidic acid
Peak:m/z	Relative Intensity
60.14864	2.5
65.66443	3.2
80.96519	22.7
91.37752	2.7
93.03435	28.3
94.04238	34.2
95.05031	6.0
108.02200	23.0
121.06543	3.4
137.09717	37.3
145.92181	2.9
146.56509	3.0
149.09706	5.6
165.07547	3.2
171.11823	5.5
187.14928	100.0
199.04771	3.6
205.15981	14.2
212.39079	2.7
215.14426	59.8
233.15538	23.4
277.11182	41.7
277.14462	35.2
277.17303	4.5
277.18610	4.4
277.21747	98.9
299.80682	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1448
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
59.01379	3.4
72.38011	0.7
85.02962	3.0
97.02947	3.0
120.56949	0.8
139.07690	1.6
151.07634	1.4
163.11299	6.8
179.14346	1.3
189.12903	2.8
191.14426	1.5
199.04588	1.1
207.13918	89.1
233.15416	1.1
274.03522	0.7
277.14487	100.0
277.18130	4.0
277.21719	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54652	0.6
82.83196	0.6
94.58279	0.8
148.74326	0.7
199.04633	0.9
237.89804	0.7
277.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92808	0.6
53.15515	0.7
59.01370	1.4
67.33574	0.7
73.15398	0.8
83.35271	0.7
123.89902	0.8
153.68297	0.7
158.22197	0.8
175.53793	0.8
259.20560	0.8
268.56851	0.7
277.21753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93446	0.7
59.01365	0.7
59.72269	0.6
95.93877	0.8
112.16782	1.0
166.74016	0.9
259.20514	0.8
277.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.89022	0.4
59.01350	0.7
63.97586	0.5
104.65081	0.5
115.87223	0.5
277.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61563	1.1
57.73431	1.1
59.01379	2.9
62.52437	1.2
68.90526	1.2
82.09641	1.3
115.89560	1.5
117.67291	1.4
242.97696	1.6
275.82538	1.5
277.21738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54652	0.6
82.83196	0.6
94.58279	0.8
148.74326	0.7
199.04633	0.9
237.89804	0.7
277.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
95.90208	0.6
277.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13354	0.6
56.89648	0.5
59.01382	1.4
73.29244	0.6
124.65544	0.6
131.61781	0.6
177.31566	0.7
277.21738	100.0
293.40338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16352	0.6
53.89691	0.7
64.23492	0.7
68.62576	0.7
73.12497	0.6
73.16821	0.7
85.05973	0.8
94.55127	0.7
94.72572	0.7
100.68390	0.9
141.70885	0.8
259.20450	0.7
277.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	1.8
71.47295	0.9
100.79156	1.1
136.44553	0.9
142.02443	1.8
155.13528	1.1
155.59801	1.0
163.44960	1.1
199.04570	7.5
205.19397	1.0
244.50610	1.1
277.02347	5.7
277.21735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
63.51451	2.6
73.38006	2.4
78.95104	2.5
82.02980	16.4
86.02464	20.5
98.02459	4.9
100.04038	4.4
109.02924	22.0
110.02454	11.0
121.02957	11.5
123.04530	28.1
135.04543	2.8
147.04550	12.4
148.04005	3.5
149.04837	11.7
150.05594	73.6
151.48280	2.7
163.07620	5.6
173.06030	35.1
175.76492	3.4
176.04788	30.0
189.05545	10.8
191.07156	6.3
206.08186	25.6
208.17442	2.9
216.06641	30.6
234.07722	100.0
244.03551	2.9
260.05627	13.8
278.06717	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71671	1.1
66.03481	2.4
70.85030	1.1
72.19811	1.1
74.08105	1.2
91.05524	17.8
94.04263	1.7
98.02459	15.1
99.00871	2.9
110.02470	7.5
110.13026	1.2
111.03242	7.2
116.05052	68.4
118.06621	5.3
137.09718	1.4
158.09755	100.0
159.08133	2.4
174.09222	5.0
184.07701	5.7
186.05675	3.1
188.15295	3.1
200.07188	1.9
202.08749	74.2
216.14696	4.6
228.06674	11.3
234.15805	2.1
246.07745	37.5
260.09341	13.7
278.07498	2.5
278.10342	29.1
278.13397	1.9
278.14523	1.6
278.22205	2.7
285.23746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.14
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
53.34683	0.5
68.62180	0.5
77.05575	0.5
77.67646	0.7
79.95726	2.4
99.00882	10.0
135.06895	0.7
159.76752	0.6
206.04625	4.8
206.16281	3.4
207.05376	31.0
242.17445	0.7
263.11700	1.0
278.11032	3.9
278.13983	100.0
278.22031	3.3
280.56424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64996	0.5
59.01371	0.9
69.43220	0.6
71.01384	1.1
75.78531	0.6
77.03978	1.3
81.03462	0.9
85.02959	1.0
86.50214	0.6
95.01373	0.8
99.04543	0.9
101.72319	0.6
113.02445	100.0
121.02971	7.6
125.02441	23.6
137.02440	13.2
147.84634	0.7
151.00302	0.9
159.29192	0.7
165.01930	48.0
165.73582	0.7
191.07132	1.3
217.05138	0.8
279.05103	65.7
279.23303	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0666
Annotation	Neodunol
Peak:m/z	Relative Intensity
50.06494	0.6
51.35573	0.8
86.29761	0.8
92.91964	0.9
97.16652	0.8
112.47916	0.8
167.05048	1.1
168.05792	14.5
171.04544	4.8
191.05011	0.9
192.05830	63.6
195.04520	9.3
196.05283	1.8
235.92599	0.8
236.04808	36.9
264.04306	80.3
279.06650	100.0
279.23318	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0876
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
59.01371	1.5
71.01366	3.7
71.05010	0.9
73.02949	1.0
73.91001	0.7
81.03457	10.5
85.02953	1.0
87.04483	0.7
89.02427	1.1
90.76733	0.6
97.74586	0.7
99.04513	6.9
101.02430	2.7
113.02409	1.4
133.02948	11.3
134.03749	12.9
135.04530	54.1
137.02437	4.2
159.03064	0.7
161.02452	100.0
161.04608	3.7
178.02742	1.7
179.03525	21.6
215.11081	0.8
276.50009	0.7
279.08752	80.2
279.23303	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29186	1.2
59.01379	100.0
61.59087	1.5
71.01374	54.9
71.30265	1.4
78.18965	1.3
83.01354	1.5
85.02954	11.3
89.02436	71.4
95.01382	2.9
101.02420	40.8
113.02433	29.4
114.01988	1.6
119.03487	34.7
131.03468	1.5
143.03423	1.8
149.04523	1.6
154.16080	1.3
161.04584	2.8
179.05595	2.9
189.03987	1.5
224.94655	1.8
279.07935	2.8
279.10849	49.3
279.23248	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43976	1.6
55.64178	1.9
59.01381	100.0
71.01379	50.9
85.02943	10.7
89.02436	73.0
92.72289	1.9
101.02433	34.3
101.62414	2.0
113.02435	24.1
119.03495	24.5
125.78545	2.4
139.39484	2.1
161.04601	2.8
179.05728	2.7
212.53397	2.4
279.07895	2.1
279.10834	47.0
279.23251	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02560	0.9
56.32128	1.0
58.00591	0.8
59.01381	100.0
71.01377	48.9
72.99308	1.4
73.02947	1.8
81.03459	4.2
83.01385	2.0
85.02943	9.9
89.02436	77.0
95.01355	5.1
99.04510	4.8
101.02437	38.0
113.02443	28.6
119.03490	29.1
131.03441	1.3
143.03485	3.6
149.04518	1.7
161.04475	3.7
169.93100	1.1
179.05594	5.7
187.81548	1.0
279.10864	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75919	1.1
59.01383	100.0
69.39922	1.3
71.01379	43.7
72.99297	1.9
76.50732	1.4
83.01357	1.5
84.23218	1.4
85.02935	9.2
89.02437	80.3
95.01387	2.2
101.02443	31.9
101.03100	2.4
113.02446	27.0
119.03487	26.1
131.03500	1.6
142.02368	1.3
146.46790	1.6
161.04530	1.8
179.05627	3.4
204.49356	1.4
279.10861	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75793	1.6
54.02330	1.6
59.01381	100.0
60.48038	1.5
71.01382	53.8
73.02944	2.0
81.03442	6.4
85.02945	10.6
87.00909	1.8
89.02438	82.1
95.01374	3.4
99.04487	8.8
101.02438	38.1
105.01891	2.7
113.02447	30.4
116.07160	8.2
117.05551	6.9
117.07497	2.1
119.03492	28.3
119.04971	1.9
140.87555	1.9
143.03593	2.0
161.04570	4.0
173.04735	2.2
173.06027	12.5
179.05592	2.2
195.37834	1.8
261.03925	3.1
279.05115	10.6
279.10895	52.8
279.23279	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
52.95092	1.0
58.00616	1.1
59.01384	100.0
62.23200	1.0
62.52493	1.2
62.62172	1.1
71.01382	47.8
71.01776	1.8
73.02982	1.5
79.64878	1.1
80.07199	1.1
83.01398	1.3
85.02940	8.0
89.02441	70.9
95.01344	2.2
101.02445	32.5
104.77859	1.3
113.02446	24.4
117.05534	1.4
119.03493	28.1
131.03510	2.1
143.03528	2.0
150.07037	1.3
161.04538	2.0
179.05609	2.9
242.85843	1.3
269.54788	1.3
279.10876	44.0
279.23331	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87956	3.0
53.03545	3.1
55.01867	4.4
58.64327	3.3
59.01384	63.2
71.01379	82.6
71.05020	4.7
73.02949	21.8
81.03457	81.6
83.01394	5.8
83.75742	3.1
85.02939	39.1
87.00848	5.8
89.02431	37.1
95.01389	5.9
99.00880	5.2
99.04517	100.0
101.02435	63.9
110.02495	3.8
111.01997	7.4
113.02441	40.0
116.07164	16.2
117.07492	16.1
119.03518	15.4
122.84462	4.4
161.04578	42.4
172.40279	4.0
193.95464	3.3
201.15752	4.8
243.06245	4.2
279.10773	23.8
279.23322	93.9
293.98575	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.10044	2.1
55.01881	4.4
58.13786	2.1
59.01380	43.1
69.03451	2.6
71.01376	69.6
71.05006	12.2
73.02948	22.1
81.03455	77.4
83.01399	5.9
84.02161	5.6
85.02938	36.5
89.02445	15.7
93.39063	2.9
95.01394	3.9
99.00873	11.2
99.04509	100.0
101.02440	50.0
106.04131	2.6
113.02422	35.9
119.03497	4.3
143.03453	3.3
159.03001	4.9
161.04561	44.3
235.38324	2.8
254.49547	2.7
279.10883	24.2
279.23343	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1241
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03463	10.7
59.01379	6.0
71.01380	7.2
71.05006	1.7
78.27519	1.2
81.03451	2.4
83.01381	1.4
83.05005	2.4
85.02942	2.0
89.02429	2.5
90.97019	1.3
93.03512	1.3
95.05021	1.9
97.02933	5.3
99.04524	8.1
101.02444	2.5
107.54602	1.3
109.02923	6.3
109.06570	7.0
111.01572	1.4
113.02468	3.0
121.06615	1.3
122.03728	10.8
123.04557	1.5
124.05297	17.4
125.06071	2.2
130.46066	1.2
137.06085	11.1
139.07655	100.0
147.08163	2.3
162.06885	1.3
163.07571	1.3
168.07936	22.0
169.08688	2.2
170.22961	1.2
176.78928	1.3
177.09262	1.2
177.12854	1.7
185.00641	1.3
187.11285	18.3
190.10030	5.4
190.71745	1.3
205.12357	31.0
212.42000	1.3
235.13466	2.8
279.05246	1.6
279.09229	1.6
279.12451	16.4
279.15799	2.0
279.23337	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
58.59903	0.7
59.01373	3.8
61.67566	0.8
65.31999	0.7
68.59653	0.7
71.01354	1.0
72.09064	0.8
80.26930	0.8
87.00867	1.4
90.00858	0.8
91.67274	0.8
97.06578	14.5
108.40355	0.9
110.72740	0.9
111.50928	0.9
117.52067	0.9
119.72761	0.8
135.04498	2.2
144.59497	0.8
192.11580	5.3
205.12354	1.1
212.41968	1.0
217.16019	3.5
235.13390	39.9
261.14789	1.1
264.53726	0.9
279.12695	13.8
279.16064	4.8
279.20178	3.4
279.23303	100.0
293.15903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
57.03441	0.7
59.01380	4.4
60.25725	0.7
69.03445	1.6
71.01379	0.9
71.05016	8.2
74.55985	0.6
81.03451	1.0
83.05015	0.8
85.02959	0.9
89.02393	0.8
97.06577	3.7
99.04525	1.3
107.08655	0.8
109.02917	1.7
109.06530	0.9
113.02416	1.1
119.05017	0.7
120.65156	0.8
122.58597	0.8
149.08452	0.7
149.09752	0.8
152.92952	0.8
177.09189	0.8
189.12885	1.3
191.14366	4.0
206.05666	0.8
217.12384	2.9
218.42368	0.8
235.13409	100.0
238.39134	0.7
261.11407	1.7
261.14972	4.1
279.12384	33.8
279.15979	11.4
279.20099	1.1
279.23282	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1241
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
56.17337	0.4
59.01385	5.7
71.01357	1.7
71.73814	0.5
72.67799	0.5
80.02693	0.7
81.03463	0.8
89.54806	0.5
90.99719	0.5
91.89133	0.5
95.05015	4.1
96.65556	0.6
97.06580	6.1
99.04515	0.6
107.05005	1.4
109.06598	2.8
111.08092	0.5
123.08164	3.4
125.07106	0.5
137.00285	0.6
137.09781	0.8
165.05540	0.7
175.11340	2.9
189.12833	0.7
191.14433	16.4
199.11333	0.9
199.13205	0.6
213.27853	0.7
217.12415	3.7
225.07739	0.8
235.13428	100.0
279.08878	2.2
279.12424	3.1
279.15854	0.7
279.23346	33.4
283.80005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
57.71795	0.4
59.01374	2.6
60.60850	0.4
71.01354	0.6
95.05032	3.9
96.95996	3.9
97.06570	5.0
98.23726	0.5
101.02436	0.5
107.05019	1.0
109.06562	2.9
123.08131	2.1
124.98451	0.5
131.94005	0.4
137.09778	0.5
139.07608	0.6
163.11264	0.5
167.77393	0.5
175.11270	2.7
189.12761	0.6
191.14439	15.0
194.59451	0.5
199.11331	1.7
217.12265	3.4
224.73537	0.5
235.13403	100.0
279.12872	4.2
279.15338	0.6
279.23257	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40868	0.9
57.03448	9.8
59.01382	1.3
59.28685	1.0
59.30439	0.9
62.90675	1.1
66.03484	1.6
70.42410	0.9
83.04960	0.9
95.05023	1.4
97.02927	6.1
109.02933	2.3
109.04070	29.1
109.06599	7.0
115.25243	0.9
119.08654	1.9
121.06680	3.2
122.03725	8.7
123.04533	2.4
124.05276	12.0
137.06126	9.4
139.07652	98.9
147.08141	2.1
149.09706	1.7
149.75970	1.1
150.05620	4.7
163.07608	1.4
163.11284	1.7
168.07930	26.7
169.08725	2.1
171.08284	1.4
175.11325	1.9
177.12865	2.1
187.11281	24.1
190.10008	5.0
193.06197	100.0
205.12346	38.0
217.12268	1.6
231.10135	1.4
235.13370	3.8
279.09784	2.8
279.12433	15.5
279.23325	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	brefeldin A
Peak:m/z	Relative Intensity
53.74458	1.0
59.01366	1.1
64.51200	0.8
67.97945	0.9
74.35771	1.1
89.02448	1.2
96.96007	16.5
108.02187	1.1
122.03735	1.7
150.06888	1.6
217.15942	1.6
235.17032	15.8
261.14951	43.8
267.27957	1.1
279.16089	100.0
279.19437	3.8
279.22809	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Papuanone
Peak:m/z	Relative Intensity
53.43444	1.0
53.56512	1.0
55.01871	1.7
55.16803	1.2
57.03437	2.9
59.01386	11.5
62.44593	1.0
65.03966	18.1
71.01379	1.4
71.05011	15.5
71.18340	1.2
74.52256	1.1
74.94655	1.1
83.05008	6.4
95.05013	7.3
96.95993	1.3
97.06577	100.0
99.04530	1.7
101.02434	1.2
113.09689	5.2
113.26511	1.2
119.08635	6.2
121.06580	41.7
137.09717	5.9
139.07637	7.9
157.08688	44.1
163.11232	3.2
181.08672	21.4
183.10271	15.9
197.51189	1.2
207.10277	57.3
209.11829	6.5
217.15967	5.6
261.14963	13.5
261.17368	1.3
279.12994	2.7
279.16107	21.9
279.23282	75.4
296.50064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Papuanone
Peak:m/z	Relative Intensity
53.04953	1.2
53.79293	1.4
55.65821	1.3
57.03451	2.1
59.01383	8.8
65.03970	17.9
65.72276	1.2
71.05014	16.4
83.05014	6.6
95.05015	6.2
97.06588	100.0
107.00782	1.4
113.09737	3.0
119.08645	1.7
121.06589	45.1
137.09734	3.4
139.07620	6.3
143.83441	1.7
157.08708	40.1
181.08734	22.7
183.10258	12.9
207.10275	48.6
217.16014	1.7
261.14978	10.0
279.16019	23.5
279.23386	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.55175	0.7
57.03449	1.3
57.11077	0.7
59.01378	1.7
78.75190	0.8
88.27252	0.8
93.28100	0.8
99.08154	24.8
125.09734	1.3
128.30228	0.8
167.10802	3.6
179.10825	2.2
191.91383	0.9
195.13902	4.9
235.20763	1.6
279.19659	100.0
279.23251	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53349	0.7
56.29586	0.6
59.01385	1.8
59.42932	0.7
68.73579	0.6
72.81062	0.7
74.62700	0.7
77.01041	0.7
81.03442	1.0
81.04067	0.6
87.96846	0.7
97.06581	0.9
125.09727	5.5
135.08174	1.8
141.12903	0.8
185.11836	11.8
190.25333	0.8
197.11832	3.1
235.20705	1.4
279.19662	100.0
279.23267	95.5
279.25980	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17769	0.6
57.03441	0.9
59.01368	0.9
79.86850	0.5
100.35534	0.6
111.08139	5.8
111.50172	0.5
125.09686	0.7
127.11268	1.3
149.09741	1.3
171.10280	5.7
183.10356	1.0
185.11812	4.7
197.11888	0.9
235.20697	0.8
279.19650	100.0
279.23239	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	16.4
67.12456	2.6
74.68331	2.4
75.93639	2.6
83.97067	2.2
94.00677	2.6
96.96005	22.4
99.04534	2.5
101.02436	3.4
107.08674	10.3
117.28507	2.6
149.70178	2.6
157.54082	2.6
171.10257	36.4
173.07474	2.3
175.39282	2.5
183.13902	11.0
217.19676	4.2
221.15465	24.9
235.17128	24.8
261.18597	77.5
279.16318	34.4
279.19659	100.0
279.23297	80.7
294.75955	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93153	0.8
54.12110	0.7
54.98613	0.8
58.54437	0.8
59.01377	1.4
67.36269	0.8
71.73464	0.9
89.59104	1.0
96.96004	1.1
119.24765	1.0
131.86372	1.0
169.12335	8.0
195.13919	8.6
206.63620	0.9
206.69658	0.9
223.13402	5.6
227.63947	0.9
261.18637	5.7
279.16852	3.1
279.19672	78.8
279.23276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
88.29009	1.3
92.98785	1.2
112.40237	1.1
147.91162	1.2
181.12344	20.9
209.11795	11.1
217.19664	1.6
242.11656	1.8
261.18536	13.9
279.19659	100.0
279.23242	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29188	0.6
52.30302	0.8
57.03449	3.5
57.37333	0.7
59.01379	5.9
69.39865	0.7
69.66193	0.8
71.01377	1.5
82.83526	0.8
83.13129	0.8
97.06528	1.1
99.08174	1.9
113.09722	27.4
115.08556	0.9
135.08112	1.0
138.69748	0.9
139.11269	4.1
140.12309	0.8
153.09230	1.0
165.09248	1.3
181.12320	1.7
235.20697	5.1
279.19672	100.0
279.23264	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Kessyl acetate
Peak:m/z	Relative Intensity
56.70822	0.8
59.01368	1.5
65.03198	1.0
65.80460	0.9
72.25415	1.0
79.86187	1.0
83.28305	1.1
99.08162	14.7
109.48009	1.2
166.23073	1.0
167.10768	1.2
178.10046	4.0
179.10851	1.6
237.18617	11.0
279.16565	3.0
279.19684	71.3
279.23282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Liguloxidol acetate
Peak:m/z	Relative Intensity
52.14269	0.8
56.88219	0.9
59.01382	4.5
71.01397	1.2
71.05025	1.1
85.02932	1.4
99.04515	4.6
101.02464	1.5
127.11285	12.2
139.07851	1.0
143.72203	1.1
146.80054	1.0
153.09166	2.0
153.12883	1.9
179.38269	0.9
217.15959	4.4
235.20740	1.7
237.18578	21.8
251.72240	1.0
261.14932	2.4
279.16318	6.0
279.19672	99.7
279.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62283	0.4
61.91991	0.4
63.74652	0.5
71.24256	0.5
147.57512	0.5
185.75647	0.6
186.65959	0.5
210.82428	0.6
212.08304	0.6
279.23312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.23592	0.5
61.42812	0.5
65.11446	0.6
70.62188	0.6
74.54715	0.5
78.04106	0.5
87.79751	0.5
107.06866	0.6
142.38441	0.7
279.23312	100.0
281.22275	0.7
286.15283	0.6
300.96634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.37355	0.4
51.22777	0.3
61.12563	0.5
65.00922	0.4
78.52525	0.4
78.91801	0.4
83.38306	0.5
92.22513	1.0
108.90498	0.4
111.78261	0.5
112.78288	0.4
132.77769	0.4
138.86050	0.5
165.74808	0.5
279.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.22340	0.5
68.86008	0.6
85.21695	0.6
92.28796	0.6
123.01270	0.6
125.92832	0.6
144.02031	0.6
279.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.08141	0.4
53.05801	0.6
59.01390	0.5
71.01387	0.9
71.71200	0.5
72.14385	0.7
79.33710	0.5
91.55056	0.5
95.01503	0.5
110.68638	0.6
124.20779	0.6
132.84492	0.6
189.00536	0.5
199.13402	0.8
204.33308	0.7
279.23309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.73554	0.5
53.99973	0.5
58.70988	0.5
59.01383	0.5
59.65478	0.5
75.30530	0.5
79.73602	0.6
84.65320	0.5
86.23736	0.5
93.59948	0.6
115.55993	0.6
139.07158	0.6
151.05595	0.5
159.14551	0.5
164.73721	0.6
173.47061	0.6
245.16066	0.6
279.23306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.40720	0.4
59.01366	0.6
67.18100	0.4
68.73993	0.6
74.34219	0.5
89.02431	0.6
95.13224	0.6
121.99704	0.5
142.24553	0.6
178.12051	0.6
240.97758	0.5
279.23303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52956	2.1
54.17773	2.0
66.41624	1.9
72.04538	2.7
82.02978	58.4
89.77856	2.0
98.02480	19.1
100.04054	25.9
105.80080	2.3
107.05061	2.4
117.96951	2.2
123.04512	92.2
135.04529	62.7
140.11150	2.3
152.07170	10.1
183.41896	2.4
187.82791	2.1
208.09810	8.4
218.08253	3.3
234.07646	2.5
236.09286	100.0
243.41998	2.5
244.06299	2.9
280.08282	99.0
280.23691	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20148	0.9
59.01377	1.3
71.01374	2.0
72.00901	2.8
72.04543	5.2
85.02942	1.3
88.04042	6.0
88.14078	1.1
92.23042	1.3
93.03471	2.7
98.02469	87.3
111.03263	8.6
112.04047	8.7
119.04996	11.7
120.43651	1.2
121.02917	1.1
124.14350	1.2
135.04533	1.2
136.07649	1.2
138.05600	1.3
156.03090	1.5
157.06552	2.1
163.04019	24.7
164.07135	1.2
180.06670	100.0
196.36928	1.2
200.07169	22.5
208.09821	7.9
218.08223	17.0
262.07236	52.5
280.08252	10.4
280.23627	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87688	0.8
55.47641	0.8
57.78308	1.0
58.02975	1.3
59.01387	2.4
70.02969	2.4
71.01383	2.5
71.17490	0.9
71.53569	1.0
72.00894	3.8
72.99310	10.0
82.03013	2.3
83.25377	0.9
91.05531	9.3
96.00938	9.1
99.00879	8.2
102.26125	1.1
103.08714	0.9
109.01688	100.0
114.01974	5.4
118.06622	16.4
131.37834	1.1
147.04529	18.5
147.08220	2.2
162.56715	1.0
164.07188	58.9
174.09247	9.4
176.07161	10.6
183.08115	1.0
190.08745	1.5
200.07214	8.5
202.05136	2.1
206.08218	6.7
218.08270	4.8
244.06169	88.4
262.04611	2.0
262.07236	34.2
280.08298	6.3
280.23642	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46293	1.0
61.45263	1.0
72.04539	7.4
74.49957	1.3
82.02974	55.5
89.23631	1.2
90.90109	1.2
93.96795	1.4
98.02480	16.9
100.04033	30.4
107.05020	2.1
123.04501	89.8
135.04517	57.2
152.07152	9.7
165.32367	1.4
208.09785	6.5
218.08199	1.7
220.59584	1.2
234.07704	6.2
236.09279	96.7
255.36436	1.5
279.69614	1.3
280.08276	100.0
280.23682	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07179	1.1
51.35262	1.0
55.80549	1.0
61.24769	1.1
68.52446	0.9
72.04555	2.4
75.25509	1.1
82.02982	52.4
86.83494	1.1
90.31946	1.2
94.20564	1.1
98.02473	16.2
100.04047	27.2
107.05017	1.8
122.03752	2.7
123.04516	74.2
135.03491	2.0
135.04523	53.9
152.07138	12.7
168.60767	1.4
208.09845	2.9
218.08171	4.5
234.07780	2.4
236.09299	96.4
236.11711	3.1
280.08295	100.0
280.23669	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03199	1.2
65.65684	1.4
70.02978	2.6
71.01396	1.5
72.00916	6.0
72.99308	9.0
82.02966	2.2
83.64545	1.2
91.05529	9.4
96.00904	3.2
99.00887	7.5
104.81742	1.3
109.01689	100.0
114.01945	3.1
118.06631	18.5
127.85011	1.4
146.53065	1.4
147.04506	19.7
147.08235	2.1
156.33430	1.4
164.07176	61.1
164.08488	2.6
174.09264	8.8
175.07666	1.4
176.07094	11.8
200.07124	10.3
206.08234	1.9
218.08221	7.2
244.06171	80.2
249.19969	1.4
262.07211	32.6
280.08328	6.0
280.23712	2.5
284.77277	1.3
302.73709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91044	0.8
59.01377	1.3
70.02979	1.7
71.01369	5.7
72.00912	7.4
82.02980	1.5
83.04926	0.9
88.04058	1.7
91.05520	7.4
96.00912	5.4
99.00898	6.1
101.16793	0.8
109.01688	71.4
114.01968	4.0
115.00414	1.2
118.06639	12.6
147.03357	1.1
147.04527	31.5
154.72202	0.8
164.07176	100.0
164.16295	0.8
174.09221	6.4
175.07562	1.1
176.07176	30.3
176.49683	0.8
200.07173	7.4
202.05238	1.1
218.04663	1.5
218.08261	5.0
220.06158	1.7
244.06161	60.0
262.07211	20.6
280.05243	1.2
280.08340	4.3
280.23538	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20031	0.9
59.01381	1.7
64.32275	0.8
70.02965	4.4
71.01376	4.5
72.00906	9.9
72.99303	4.0
73.02963	1.2
82.02978	2.1
87.00894	1.0
88.04043	1.1
91.05515	8.0
92.22547	1.1
96.00908	5.6
99.00865	9.9
105.97654	1.0
109.01687	79.6
114.01959	3.9
115.00345	1.5
118.06630	12.1
120.58674	1.0
129.07071	0.9
144.50896	0.9
145.06628	0.9
147.04520	28.6
148.07687	1.8
164.07175	100.0
174.09251	10.6
175.07541	1.3
176.07155	24.2
190.08780	1.6
200.07202	6.9
202.05052	2.0
206.08348	0.9
218.08162	3.6
220.06183	2.0
237.50348	0.9
244.06149	69.2
262.07236	25.9
280.08319	7.0
280.23636	4.1
302.42853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1119
Annotation	2,3,3-Triphenylacrylonitrile
Peak:m/z	Relative Intensity
57.02737	1.0
59.01381	100.0
60.01714	21.8
71.01382	40.8
72.01719	19.9
82.46436	1.1
83.01402	1.6
85.02929	7.2
86.03291	4.8
89.02435	62.8
90.02771	23.1
95.01382	2.6
96.01675	1.3
101.02431	28.3
102.02772	19.6
113.02451	15.5
114.02776	15.7
119.03489	24.3
120.03825	13.7
123.04515	1.4
150.04834	1.7
170.32660	1.2
172.74445	1.2
179.05655	2.2
180.05997	1.6
235.72980	1.4
280.11270	56.7
280.23581	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63131	0.4
58.38962	0.5
59.01357	0.8
71.01389	0.6
72.00890	6.2
73.40767	0.5
74.44405	0.5
85.02961	3.4
91.05562	0.9
97.02965	4.0
103.03958	0.7
111.27776	0.6
115.03224	1.1
115.04005	24.1
132.08189	2.4
145.76076	0.6
147.03334	0.7
147.04523	31.5
164.07182	100.0
167.02896	0.6
192.10327	0.8
193.34189	0.6
206.39262	0.7
236.09441	1.0
280.08627	2.9
280.11887	20.7
280.23709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24165	1.2
65.20755	1.5
71.01389	1.7
74.02464	8.5
88.04035	99.2
91.05510	7.6
109.01674	1.8
124.05782	1.6
125.79690	1.4
138.09288	1.8
147.04544	19.4
164.07188	56.3
174.09215	1.8
208.06247	2.2
222.07703	3.2
236.09291	100.0
273.57440	1.6
280.05426	2.0
280.08438	10.0
280.11935	52.1
280.23627	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1192
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
54.60239	0.3
57.03435	1.9
59.01377	3.3
72.62704	0.3
74.02473	2.9
79.74596	0.4
80.05066	0.6
82.02965	0.5
85.02951	5.9
87.04506	22.8
88.04028	1.6
94.02976	11.0
108.04550	70.3
121.54715	0.4
134.06116	16.1
136.07660	0.4
138.09242	0.4
141.53233	0.4
147.33287	0.4
148.07649	0.5
164.07164	4.9
171.84816	0.3
176.07173	5.7
184.11035	0.4
194.08234	100.0
194.40919	0.4
198.57925	0.4
222.07703	1.5
236.09283	1.9
240.49243	0.4
280.11920	69.3
280.23474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52568	0.6
52.53111	0.5
53.55871	0.5
60.39478	0.5
96.96004	68.5
100.67955	0.6
100.85806	0.6
104.60009	0.7
116.51197	0.6
214.76727	0.6
220.61429	0.6
280.12268	100.0
280.23636	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50011	8.5
64.03603	7.4
65.20754	7.7
77.55487	8.3
80.68165	8.7
102.35580	10.6
103.37544	7.9
139.20609	9.8
233.15540	100.0
251.06453	9.5
262.14395	10.7
268.81042	9.2
280.23642	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50255	0.7
59.01380	3.2
72.99313	1.9
73.02928	1.1
75.00871	5.3
85.02937	1.1
94.02970	1.6
96.62312	0.8
101.02461	1.0
115.89870	1.1
119.03491	100.0
121.02955	1.8
133.02956	1.4
134.03723	12.8
135.04500	5.1
137.02448	1.6
149.06058	8.8
161.02443	25.7
178.02681	15.0
179.03540	3.7
193.05055	51.5
201.67816	0.9
226.79686	0.9
234.07764	0.9
281.03137	3.4
281.06793	4.9
281.24863	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24737	0.3
58.85703	0.4
59.01380	2.2
71.01377	0.9
76.22027	0.4
82.95332	0.4
85.71220	0.4
87.00887	0.5
89.02446	0.6
106.56804	0.4
115.00361	0.5
116.34062	0.4
121.63290	0.5
134.03741	23.6
137.02446	2.2
139.03963	0.4
149.02542	0.5
149.06076	19.1
155.87787	0.4
165.59450	0.4
176.08498	0.5
178.02724	34.0
193.05070	100.0
196.51535	0.4
251.05608	0.9
266.08038	0.6
281.06769	2.5
281.10141	0.7
281.24863	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97789	0.4
54.30284	0.4
55.16110	0.5
59.01383	0.8
59.64194	0.5
71.01376	0.8
75.00879	2.5
78.31298	0.4
80.53624	0.5
87.00893	0.8
89.02483	0.6
92.98186	0.5
113.02446	0.7
115.90827	0.5
117.01939	0.8
119.05020	67.8
135.02991	19.4
147.65851	0.5
163.04016	100.0
191.83360	0.4
228.78696	0.6
281.04028	0.5
281.06775	3.6
281.09790	0.7
281.24957	4.7
282.45190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
71.01379	0.4
80.20651	0.3
80.55287	0.3
82.64626	0.3
84.15517	0.4
87.00906	0.7
89.02436	0.4
94.86955	0.4
98.00627	0.4
101.02443	0.5
102.65459	0.3
113.02435	0.4
118.38752	0.3
118.72836	0.4
119.05049	0.4
122.36880	0.3
132.02759	0.4
134.03737	21.2
135.02988	0.4
136.97285	0.4
137.02419	2.2
139.03954	0.6
149.06081	17.3
153.98643	0.4
161.04584	0.5
163.04002	0.3
178.02713	33.8
193.05063	100.0
194.80476	0.4
202.16611	0.5
227.14516	0.3
281.03381	0.6
281.06763	3.0
281.25052	0.4
297.59598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76363	0.7
59.01380	3.4
63.26372	0.7
71.01380	1.6
72.99304	1.2
75.00871	13.5
84.25435	0.8
89.02457	5.7
91.66146	0.9
110.02018	1.0
111.01871	0.8
119.05025	36.9
135.03004	100.0
145.02998	0.9
151.04051	1.5
163.04022	58.3
281.06808	3.6
281.24890	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39312	0.5
50.40903	0.5
51.76663	0.5
53.34596	0.6
58.70788	0.5
58.85023	0.6
59.01389	0.9
72.99310	1.0
107.65521	0.6
133.02954	1.1
134.03732	25.7
135.04510	4.8
137.02446	1.0
139.04028	1.0
149.06073	14.8
161.02422	10.6
177.01956	0.8
178.02713	36.6
179.03526	2.8
193.05060	100.0
196.58102	0.6
281.06671	4.1
281.10327	11.1
281.24844	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01432	0.4
54.88881	0.4
59.01384	3.7
61.26137	0.4
62.15905	0.4
68.41635	0.5
71.01383	3.5
72.80222	0.4
72.99295	0.7
73.02940	6.2
74.11802	0.5
75.00862	0.7
87.00866	8.7
89.02457	1.0
95.45470	0.5
101.02466	1.0
101.38754	0.5
113.02407	0.9
117.01929	13.2
119.05019	59.2
135.02994	4.9
145.02951	0.9
161.04572	1.0
163.04012	100.0
211.67026	0.5
222.74132	0.6
281.06885	2.6
281.12436	2.8
281.24759	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18822	0.5
57.69307	0.7
58.62628	0.6
63.11926	0.7
72.99310	3.5
75.00853	7.5
119.03493	100.0
133.02969	1.5
134.03728	18.5
135.04518	4.1
137.02443	1.5
149.06087	15.0
161.02438	21.3
178.02728	27.3
178.04321	1.2
179.03534	1.4
193.05072	80.4
246.49174	0.8
281.06668	3.8
281.24863	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0819
Annotation	3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
50.29793	0.3
56.00778	0.3
56.46788	0.3
58.02216	0.4
59.01370	0.4
59.22121	0.3
62.45861	0.3
71.20667	0.3
79.01894	0.6
91.05501	0.3
119.05036	0.4
121.02953	0.3
135.04523	0.7
237.09215	2.0
249.12796	0.3
281.08206	100.0
281.24847	4.0
289.21136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0822
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
51.75036	0.3
59.01381	0.5
68.34997	0.3
79.01926	0.3
80.64074	0.3
91.05540	0.5
116.89491	0.3
119.04984	0.5
121.02905	0.3
135.04497	1.3
144.78365	0.3
145.02911	0.5
150.29152	0.3
180.25568	0.3
209.09714	0.4
237.09164	2.1
266.06082	0.4
281.08221	100.0
281.24896	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.5
66.03158	3.1
66.03489	70.2
78.39854	1.8
78.95901	9.6
94.02976	37.8
96.95996	9.9
116.05052	59.6
129.06621	1.6
141.71912	1.8
142.06593	3.4
144.04562	2.8
150.01895	1.7
152.99585	3.8
162.50272	2.0
166.82362	1.8
170.06125	18.1
188.14796	1.7
192.08180	2.8
199.13435	8.6
204.06960	11.1
210.03169	4.4
217.07715	21.2
219.07281	3.0
219.09288	68.2
237.10341	100.0
238.02733	12.4
266.02298	11.8
281.04669	18.9
281.09317	17.3
281.14267	2.4
281.24942	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.5
57.03433	2.7
59.01377	100.0
61.19050	2.0
65.18346	2.1
71.01381	75.8
73.02946	22.8
75.00859	3.6
83.01381	10.2
85.02950	36.5
87.00881	3.3
89.02433	82.7
95.01354	4.1
99.00864	4.5
101.02431	78.0
103.04018	3.0
113.02448	47.4
119.03466	32.7
119.07130	13.6
131.03513	3.1
143.03545	3.9
159.03004	3.4
161.04544	46.7
179.05658	11.1
180.27275	2.6
182.76811	2.5
183.45882	2.6
262.27057	2.4
281.08841	23.3
281.12415	90.5
281.24948	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
59.01385	100.0
66.80235	1.6
67.64290	1.9
69.63552	1.9
71.01382	85.8
73.02937	22.1
74.32422	1.6
77.73159	1.5
79.64207	1.5
83.01390	10.6
85.02948	33.1
87.00864	1.9
87.91923	1.6
87.92569	1.7
89.02444	55.3
95.01408	2.7
97.02885	1.7
99.00871	4.3
101.01781	2.9
101.02442	78.2
108.26982	1.7
113.02444	43.8
113.83663	1.8
119.03486	17.7
119.07111	15.9
143.03479	3.1
159.03003	3.8
161.04568	56.0
162.52223	1.6
222.27043	2.0
261.54254	2.0
281.12476	89.6
281.24997	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41864	1.6
57.03432	1.7
59.01382	100.0
71.01379	74.7
73.02934	15.7
74.13188	1.7
79.27608	2.0
83.01381	3.8
85.02937	21.2
87.00845	3.1
89.02435	73.1
95.01379	3.7
98.02479	2.3
101.02435	62.6
113.02438	42.0
119.03480	32.0
119.07127	9.5
121.98403	2.4
131.03604	2.5
135.04521	2.7
137.02466	2.5
143.03461	3.2
161.04578	29.8
179.03482	3.5
179.05611	13.1
181.07004	3.1
224.24765	2.1
226.89786	2.1
281.12430	72.7
281.24823	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83021	1.4
57.03459	1.6
59.01381	80.5
69.03454	6.6
69.54818	1.5
71.01376	68.2
73.02939	14.1
83.01383	8.5
85.02948	23.1
87.00857	2.7
89.02429	45.9
95.01358	3.6
99.00876	6.7
101.02434	65.2
107.03748	17.8
108.04548	25.9
113.02441	36.3
119.03492	19.8
119.07107	9.9
121.02947	3.8
135.04504	7.5
143.03481	2.0
149.06061	2.0
151.02713	12.5
152.03543	31.9
159.02965	2.8
161.02446	10.5
161.04544	38.5
165.01833	2.1
165.49681	1.7
175.08737	8.2
176.07173	38.4
177.05540	7.3
179.03468	8.9
179.05597	3.8
186.88144	1.7
193.09836	10.3
219.07788	2.2
220.06171	18.9
221.04552	6.8
237.08864	20.3
263.03461	1.5
263.06760	12.9
264.05075	18.1
281.07809	37.7
281.12430	100.0
281.24887	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1761
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
57.73963	1.8
59.01386	9.8
60.49545	1.8
65.94701	1.8
71.01373	2.2
71.05013	5.0
84.16641	2.1
92.23081	3.1
95.05038	4.6
96.95995	3.6
97.06583	61.7
100.67580	1.9
107.05035	10.6
107.08659	5.1
111.08152	3.0
113.09750	8.6
121.10220	20.9
123.08197	2.9
125.09696	2.6
143.07121	2.9
147.08179	7.3
155.07141	8.6
157.08728	18.8
165.12923	3.3
179.14481	2.5
193.12325	3.1
201.16530	3.0
205.12347	4.0
209.11876	4.1
222.77965	2.3
223.13411	69.9
263.16562	87.8
281.09357	11.2
281.14328	4.4
281.17593	100.0
281.24820	37.9
285.01450	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2124
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
59.01372	1.6
63.23020	0.8
69.84925	0.7
70.54081	0.8
72.53003	0.8
73.00999	0.7
74.84400	0.7
81.17441	0.8
99.08170	1.1
133.98874	0.9
145.61754	0.8
169.12309	3.8
183.10254	11.1
184.02432	1.0
185.37930	0.9
195.13953	17.4
263.20148	18.6
273.58615	1.2
281.21228	100.0
281.24811	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31059	0.8
55.64654	0.9
56.77920	0.8
59.01387	2.1
59.01663	0.9
76.37381	0.9
79.97688	0.9
82.97266	0.9
89.02434	1.0
90.22041	0.9
111.08197	1.8
111.95301	1.0
127.11295	1.7
151.57889	1.0
157.08688	29.4
171.10295	5.1
203.23164	1.0
203.26421	1.1
238.02293	1.1
245.19189	1.4
263.20190	50.1
281.21255	100.0
281.24515	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22221	0.5
65.43269	0.5
72.73857	0.5
73.73589	0.4
77.32558	0.5
106.65509	0.6
125.09705	5.3
137.09715	1.3
141.12920	1.0
151.11449	0.5
237.22238	2.3
281.21283	100.0
281.24823	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2124
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
50.64574	0.4
57.03440	1.0
62.28392	0.5
70.75409	0.4
103.61304	0.5
110.44598	0.6
125.09716	1.0
137.09767	1.8
139.07675	2.3
141.12863	11.1
153.12859	0.8
161.62408	0.6
237.22279	3.8
246.11360	0.5
263.20126	0.6
281.21274	100.0
281.24789	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2125
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
55.66399	0.7
59.01373	0.9
82.10472	0.8
86.15622	0.8
92.22503	1.0
94.65083	0.8
99.48309	0.9
100.76489	0.8
125.09708	1.1
131.14580	0.9
144.56335	0.9
167.11688	1.0
171.10262	30.1
195.13889	1.6
263.20184	47.9
281.21271	100.0
281.24750	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2125
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
51.35065	0.6
56.06187	0.8
59.01385	6.2
70.09794	0.6
71.01379	1.3
77.33736	0.7
81.03452	3.8
83.05029	21.9
85.02940	0.8
89.27877	0.8
113.09724	4.0
126.69943	0.8
134.91850	0.7
183.17569	8.3
195.17462	0.8
209.19142	1.1
235.20654	0.8
237.22238	10.9
262.07309	0.8
263.20178	7.7
281.21237	100.0
281.24792	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
60.25799	0.6
62.59784	0.9
67.91631	0.7
77.30553	0.6
81.79314	0.7
108.94204	0.8
109.21922	0.7
125.09700	4.3
137.09673	1.5
150.15848	0.6
237.22168	1.6
241.16245	0.7
276.42685	1.0
281.21234	100.0
281.24799	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2483
Annotation	(6Z)-Octadecenoic acid
Peak:m/z	Relative Intensity
75.76463	0.4
87.54741	0.5
92.07705	0.4
97.16018	0.4
138.96184	0.4
174.08601	0.5
281.23965	100.0
296.38062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
53.49708	0.6
56.11592	0.4
56.90186	0.4
100.10627	0.5
106.71219	0.5
110.91958	0.6
184.42554	0.5
200.43115	0.6
262.06104	0.6
269.82550	0.6
281.24881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
54.56284	0.3
57.59245	0.4
61.05410	0.4
74.98652	0.4
89.13284	0.5
94.50667	0.4
124.51304	0.4
144.86797	0.5
159.01140	0.5
208.66092	0.5
281.24887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
60.74765	0.5
63.97968	0.5
68.20288	0.5
68.36197	0.5
69.83880	0.4
81.08005	0.5
146.73738	0.5
174.21112	0.6
221.19453	0.6
252.44223	0.5
281.24881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0846
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.62049	0.3
52.12086	0.3
52.97745	0.3
75.39409	0.3
87.07274	0.3
98.40926	0.4
99.15016	0.3
107.03654	1.9
108.02051	2.5
126.03088	1.9
133.01559	13.7
133.02565	0.5
150.04214	100.0
180.06685	0.4
210.04123	0.4
246.23296	0.5
278.47476	0.3
282.08463	28.7
282.25272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87009	0.4
59.52310	0.4
82.02984	9.6
85.02938	3.2
90.75255	0.5
90.87152	0.4
100.03438	0.6
100.04049	12.7
101.02446	2.1
122.03745	0.8
123.04507	14.6
128.02580	1.1
128.03534	34.0
129.01929	4.8
130.18022	0.4
135.04529	13.8
146.04594	8.6
152.07169	6.5
175.88084	0.4
185.67165	0.4
186.29265	0.5
212.81895	0.6
218.08199	0.5
220.09850	4.9
236.09280	39.6
246.07568	0.7
264.08771	11.0
282.09854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03486	4.8
70.02969	1.3
74.02501	0.9
94.02986	4.7
96.04530	16.9
99.00877	11.3
121.05070	1.1
122.06111	53.2
130.45053	1.1
134.06119	74.6
146.40823	1.2
148.04021	1.5
152.07169	77.6
158.09723	6.1
160.04031	7.5
166.05083	6.2
172.07660	1.2
174.09242	1.1
178.05061	8.6
185.27434	1.0
192.06700	1.1
196.06148	58.5
220.09798	10.9
235.08101	2.5
238.10898	2.0
264.08801	2.0
282.09848	100.0
282.25162	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00248	2.6
63.56932	2.4
66.03493	4.3
83.20409	2.2
96.04539	17.4
99.00864	5.1
122.06118	49.1
124.03986	4.5
134.06129	60.6
140.05263	2.8
152.07175	62.1
158.09778	2.7
160.04048	5.0
161.08733	2.6
166.05135	3.2
178.05095	4.1
196.06186	61.6
220.09863	10.2
222.04095	4.4
222.07782	3.1
232.30844	2.7
282.06534	5.8
282.09869	100.0
282.25323	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00248	2.6
63.56932	2.4
66.03493	4.3
83.20409	2.2
96.04539	17.4
99.00864	5.1
122.06118	49.1
124.03986	4.5
134.06129	60.6
140.05263	2.8
152.07175	62.1
158.09778	2.7
160.04048	5.0
161.08733	2.6
166.05135	3.2
178.05095	4.1
196.06186	61.6
220.09863	10.2
222.04095	4.4
222.07782	3.1
232.30844	2.7
282.06534	5.8
282.09869	100.0
282.25323	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76679	0.8
57.76382	0.7
59.01402	0.8
62.22459	0.7
71.01405	0.7
82.02979	11.5
85.02950	4.0
98.02489	1.0
98.77695	0.9
100.04056	12.1
100.93390	0.8
101.02432	3.4
112.80254	0.8
123.04525	14.8
124.03987	1.6
128.03545	34.4
129.01971	6.8
134.04808	1.0
135.04536	16.0
145.87769	0.9
146.04581	7.5
151.68416	1.1
152.07150	6.3
164.05750	0.9
166.05121	1.5
168.02980	1.7
178.05109	1.4
192.06714	5.9
193.07182	0.9
201.29515	0.9
210.07755	1.4
220.06226	1.3
220.09766	4.3
222.07549	1.1
236.05615	5.0
236.09299	39.6
254.06563	1.3
264.08728	10.0
264.87549	0.9
278.22986	0.9
282.06784	4.7
282.09875	100.0
282.25281	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.8
60.01728	1.7
63.01156	1.1
71.01379	8.9
72.01716	1.8
72.56541	1.2
72.99303	12.1
82.02987	11.6
85.02943	6.0
89.02439	2.9
100.04036	20.7
101.02449	5.2
102.02794	1.6
113.02443	3.2
114.02771	2.2
120.03819	1.6
121.02952	1.9
123.04497	18.8
128.03532	37.8
129.01913	2.9
135.04521	12.6
146.04604	7.7
149.06091	1.8
152.07143	10.2
159.04523	3.3
162.03236	2.8
162.04930	5.7
165.05579	3.2
176.04750	3.2
177.05618	2.5
185.99353	1.4
186.06305	1.3
203.03534	9.0
220.09850	7.9
221.04575	14.8
233.17383	1.5
236.09280	48.2
239.05528	11.4
264.08762	14.0
282.09866	100.0
282.12720	8.3
282.25037	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21129	0.5
72.99305	0.5
82.02978	10.0
84.04539	0.6
85.02936	4.0
94.47202	0.5
99.17593	0.6
99.82287	0.5
100.04040	14.9
101.02431	1.0
106.66531	0.5
123.04514	17.1
128.03539	35.8
129.01947	5.7
135.04523	13.6
146.04573	7.0
152.07181	7.4
203.03636	0.6
220.09798	6.0
236.09311	40.9
238.10916	0.6
246.07574	0.9
264.08795	10.8
282.09857	100.0
290.66437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59465	1.3
64.61482	1.4
66.96060	1.5
72.99313	2.4
74.02471	83.9
75.12542	1.4
86.02480	24.3
86.20174	1.6
91.05531	35.5
106.77918	1.5
115.08870	1.6
118.06636	2.7
122.06121	6.3
132.08180	15.0
134.04634	3.6
134.87413	1.6
146.09760	2.8
147.04527	54.8
149.06090	9.2
150.04256	25.5
150.05417	2.9
160.07706	2.9
164.07210	3.4
175.50610	1.8
176.07216	6.7
178.08739	27.2
190.08803	8.7
202.08728	6.6
204.06636	1.9
210.04146	2.6
220.09752	3.3
222.07730	100.0
238.10823	6.6
277.40387	1.6
282.06729	4.4
282.09924	90.8
282.25232	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1138
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
64.58337	0.6
100.20041	0.7
119.05020	86.4
120.04535	0.8
132.05846	6.5
136.07681	8.4
145.02962	10.0
162.05614	20.9
174.05612	1.6
214.14250	0.8
240.10474	1.2
282.11389	100.0
302.57748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2076
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
54.76514	0.8
56.07126	0.5
57.03437	1.0
58.02969	0.7
80.12845	0.6
121.60606	0.7
221.19124	35.5
264.19766	4.4
265.18094	24.8
282.08801	2.2
282.20773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06881	0.6
52.68831	0.6
59.72882	0.6
65.38060	0.6
66.08014	0.7
68.75744	0.8
71.01375	6.6
72.99281	1.0
73.90594	0.7
97.22580	0.7
103.04012	1.3
109.02934	1.1
115.00359	18.4
121.02969	1.8
123.04522	20.0
126.40412	0.7
133.00461	1.4
133.01433	26.4
135.15927	0.7
139.03970	4.4
139.07663	0.7
140.93658	0.9
149.02422	4.6
167.03499	100.0
167.71614	0.7
265.03656	5.9
268.03806	11.0
283.04193	11.4
283.26407	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04678	0.5
55.24872	0.5
71.01379	5.6
78.02344	0.6
92.22933	2.6
102.06345	0.6
109.02930	1.2
115.00363	18.4
123.04527	16.9
133.01436	23.8
139.04031	3.4
139.07663	3.5
149.02423	5.9
167.03502	100.0
209.04498	1.4
265.03531	7.1
268.03806	11.3
283.04639	9.6
283.11749	0.8
283.26443	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66752	0.7
68.67800	0.7
69.85993	0.7
83.05042	1.0
207.13898	1.4
265.18021	4.8
268.03790	100.0
283.06158	70.0
283.09610	4.7
283.19220	5.3
283.26434	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33598	0.3
66.26896	0.4
80.66680	0.4
92.22517	0.9
103.90820	0.4
164.31444	0.4
199.83241	0.6
240.04300	0.6
267.03033	0.4
268.03796	100.0
283.06134	71.2
283.26392	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82135	0.3
57.18542	0.3
59.64397	0.3
68.27940	0.4
75.52708	0.3
79.71645	0.3
118.29384	0.4
167.48422	0.5
239.03642	0.5
240.04283	0.7
262.03723	0.4
268.03778	100.0
269.28262	0.4
283.06128	70.2
283.26434	2.6
283.57767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Acacetin
Peak:m/z	Relative Intensity
56.11401	0.4
61.96179	0.5
64.28362	0.4
77.68223	0.5
96.99329	0.5
102.63023	0.5
215.92757	0.6
224.82788	0.6
238.92369	0.5
268.03796	100.0
283.06143	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02461	0.5
68.29012	0.5
73.21634	0.5
85.74760	0.4
92.31367	0.4
135.91057	0.4
152.35367	0.6
186.42482	0.5
240.04286	1.0
268.03787	100.0
283.06131	69.3
283.26215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52668	0.4
58.19200	0.3
59.28843	0.3
65.24179	0.3
95.14889	0.4
96.11647	0.4
100.15211	0.4
143.72229	0.4
167.28242	0.4
171.15424	0.4
202.19902	0.4
211.04015	0.4
239.03264	0.4
240.04228	0.9
267.03122	0.6
268.03793	100.0
283.06140	72.0
283.26346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78930	0.2
56.16829	0.3
67.53963	0.3
86.03323	0.4
86.49140	0.3
87.13668	0.3
111.07088	0.4
113.08319	0.3
117.29653	0.4
122.83978	0.3
143.04985	0.4
166.18134	0.3
166.71031	0.3
171.04541	0.8
183.08142	3.5
195.08119	0.7
195.97653	0.3
199.07622	0.4
209.06104	1.9
211.07639	1.7
224.04784	0.7
224.38390	0.4
225.05609	2.5
227.07162	10.9
237.05811	0.5
238.06299	0.6
239.07074	1.4
253.05151	0.4
255.06595	3.8
265.04935	0.5
266.05774	0.4
283.06131	100.0
283.26434	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
63.74305	0.6
68.16497	0.7
81.33231	0.7
85.28274	0.7
96.47295	0.7
101.12663	0.7
186.88234	0.7
213.89790	0.9
268.03793	100.0
283.06152	74.0
283.19229	4.0
283.26450	58.6
292.48053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0686
Annotation	Xanthosine
Peak:m/z	Relative Intensity
55.68060	0.3
56.68162	0.3
57.31971	0.2
59.01370	0.3
65.61735	0.3
70.27091	0.3
86.02392	0.3
99.00779	0.3
108.02023	3.2
151.02615	100.0
268.03799	2.8
283.06830	24.5
283.26483	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34176	1.4
57.23161	1.4
59.01393	13.0
59.68429	1.4
62.34806	1.4
67.79656	1.4
92.22488	1.7
95.11620	1.4
96.96035	1.9
102.56123	1.5
102.98583	7.1
113.02449	1.7
119.04966	2.9
163.07664	3.7
164.04778	2.4
165.04231	3.5
165.05579	83.0
179.07117	2.5
180.07932	39.1
219.74588	1.8
221.08241	3.1
239.09258	54.6
268.03802	43.8
278.11606	1.6
283.05957	22.5
283.08646	50.5
283.26459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34176	1.4
57.23161	1.4
59.01393	13.0
59.68429	1.4
62.34806	1.4
67.79656	1.4
92.22488	1.7
95.11620	1.4
96.96035	1.9
102.56123	1.5
102.98583	7.1
113.02449	1.7
119.04966	2.9
163.07664	3.7
164.04778	2.4
165.04231	3.5
165.05579	83.0
179.07117	2.5
180.07932	39.1
219.74588	1.8
221.08241	3.1
239.09258	54.6
268.03802	43.8
278.11606	1.6
283.05957	22.5
283.08646	50.5
283.26459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61406	0.7
51.80177	0.8
53.23246	0.7
60.82526	0.8
65.98160	0.8
67.59004	0.9
78.92107	0.9
79.01885	1.2
92.23056	1.3
100.46245	0.9
106.46879	1.1
107.01413	6.8
108.02133	1.5
135.00877	8.0
136.01657	41.6
136.54099	1.0
138.40082	0.9
153.05571	1.4
163.00377	1.9
164.01151	78.6
179.03485	4.2
191.03416	1.1
239.20293	3.7
240.07848	9.7
267.06622	2.2
268.07425	22.6
283.09769	100.0
283.19064	1.8
283.26428	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96084	0.4
67.86816	0.5
70.84476	0.5
79.01897	2.8
81.89902	0.4
111.04524	3.8
116.75750	0.6
135.04507	6.4
145.06599	0.7
151.03998	2.2
164.04802	2.6
171.04520	0.9
179.03523	6.7
183.08182	0.8
192.04317	5.0
201.07361	0.5
213.09161	1.3
239.10719	0.9
241.08720	9.2
242.18175	0.5
246.76677	0.6
255.10291	5.8
268.03812	0.6
283.09781	100.0
283.26462	11.6
291.43091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0979
Annotation	Phenethyl Caffeiate
Peak:m/z	Relative Intensity
54.11242	0.3
66.00037	0.3
67.29651	0.3
76.32751	0.3
79.01885	1.9
81.82586	0.4
90.31898	0.4
90.56025	0.3
91.05542	0.6
111.04506	4.6
123.04552	0.4
132.65144	0.4
135.04518	5.2
136.05298	0.5
145.06607	0.8
151.04036	2.0
153.05569	0.9
164.04770	2.6
171.04575	0.8
179.02368	0.4
179.03540	5.9
183.08134	2.4
192.04314	3.8
197.09769	0.7
205.05124	0.8
213.09244	2.1
237.09213	0.6
239.10733	2.3
241.08710	8.7
255.10286	5.4
268.03763	3.8
283.09772	100.0
283.26443	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0979
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
53.44499	0.6
59.01368	0.9
61.95012	0.7
79.01878	3.1
82.41499	0.8
84.93949	0.7
91.47258	0.8
95.01324	0.7
105.03503	0.9
107.01369	4.6
111.04486	3.0
111.08136	1.0
121.16088	0.7
122.12862	0.7
132.02878	0.8
135.00887	6.3
135.04468	1.5
136.00719	0.9
136.01665	21.1
163.00293	1.1
163.99786	1.7
164.01161	46.7
179.03497	13.5
198.06831	3.8
226.06392	3.0
227.98361	1.0
240.07922	4.1
241.08763	6.7
265.18121	12.5
267.06573	3.4
268.03821	6.0
268.07248	5.3
283.06339	4.4
283.09747	100.0
283.19272	18.8
283.26440	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.4
59.97826	1.3
71.01382	56.5
73.02946	8.0
76.08675	1.7
76.66131	1.6
83.01378	2.6
84.92186	1.7
85.02950	14.3
87.00886	1.7
89.02441	59.1
93.78160	1.7
101.02443	53.3
113.02451	31.2
113.94451	2.0
116.60130	1.8
119.03494	23.8
121.05067	38.2
143.03481	3.7
151.02623	54.6
161.04523	20.4
179.05673	12.8
223.08177	2.7
231.25710	1.8
239.05632	2.8
268.03741	35.9
283.06384	32.1
283.10349	100.0
283.26428	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
59.01379	7.8
78.21809	1.1
80.54035	1.2
84.97707	1.1
85.02942	1.4
97.02943	1.5
100.04083	1.1
115.03976	1.8
117.32734	1.0
121.06577	5.7
123.04509	1.6
124.05299	10.1
133.01445	1.1
133.06660	1.4
139.07652	100.0
149.09683	11.4
149.27606	1.1
150.51627	1.4
163.07669	2.3
167.03508	2.4
168.07990	1.8
173.09758	1.9
175.07582	1.2
179.10788	14.9
191.10777	14.0
203.10793	1.4
209.11850	1.7
221.11861	17.8
225.36078	1.3
237.09738	2.1
239.12857	21.1
268.03809	5.4
283.05737	6.2
283.12250	20.7
283.26459	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
59.01379	7.8
78.21809	1.1
80.54035	1.2
84.97707	1.1
85.02942	1.4
97.02943	1.5
100.04083	1.1
115.03976	1.8
117.32734	1.0
121.06577	5.7
123.04509	1.6
124.05299	10.1
133.01445	1.1
133.06660	1.4
139.07652	100.0
149.09683	11.4
149.27606	1.1
150.51627	1.4
163.07669	2.3
167.03508	2.4
168.07990	1.8
173.09758	1.9
175.07582	1.2
179.10788	14.9
191.10777	14.0
203.10793	1.4
209.11850	1.7
221.11861	17.8
225.36078	1.3
237.09738	2.1
239.12857	21.1
268.03809	5.4
283.05737	6.2
283.12250	20.7
283.26459	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88138	1.0
64.22404	1.1
64.84146	1.1
70.94130	1.1
71.05016	1.3
72.80564	1.1
99.00869	18.8
100.01659	6.4
104.09339	1.5
110.37806	1.1
165.12807	1.7
183.13901	7.9
203.14584	1.7
221.15469	9.6
237.14944	2.9
239.16548	58.2
247.13400	2.9
265.14468	17.3
265.36798	1.3
268.03799	100.0
268.44250	1.3
283.06155	73.6
283.15512	90.7
283.26385	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06209	0.6
58.77871	0.5
59.01151	0.6
59.01383	9.2
60.39303	0.6
70.13454	0.7
73.26928	0.7
88.45990	0.7
106.72607	0.7
133.84477	0.6
141.78256	0.7
169.12402	0.7
177.88853	0.7
179.14398	1.2
191.25845	0.7
195.13889	4.2
205.12328	2.8
210.03561	0.7
221.15439	11.9
223.13417	19.5
239.16554	23.6
247.13403	6.7
265.14447	17.3
268.03778	82.0
283.02811	0.8
283.03610	0.9
283.06122	56.4
283.15524	30.3
283.19138	6.8
283.26428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59502	0.6
57.03460	1.0
57.44666	0.6
59.01380	100.0
62.21109	0.6
66.70618	0.7
93.03399	0.8
96.96001	2.8
111.27724	0.7
117.03407	1.0
153.09224	1.5
161.02463	1.0
179.03516	1.2
189.01939	1.2
197.05994	0.7
205.12331	1.5
223.02470	0.8
223.13342	2.7
239.07156	1.5
282.39038	0.7
283.04688	3.8
283.08582	2.8
283.11917	3.7
283.26431	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77424	1.3
51.42541	1.3
57.03443	1.5
58.36138	1.5
59.01378	21.6
63.68810	1.4
70.50061	1.5
71.24957	1.4
73.30263	1.6
86.82459	1.7
167.10747	2.8
179.10884	1.8
179.14473	3.4
195.13918	8.8
198.00923	2.0
205.12341	9.6
221.15456	28.3
223.13387	69.8
239.16521	29.4
265.14377	12.8
268.01096	3.3
268.03796	64.7
283.06171	50.4
283.15552	100.0
283.18716	3.8
283.26434	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.50860	0.6
56.43233	0.6
59.33258	0.6
100.78461	0.7
107.05022	83.3
138.10643	0.7
149.91269	0.7
163.11287	85.0
265.21793	1.2
268.03806	3.3
283.06161	1.1
283.17065	100.0
283.22818	22.9
283.26447	46.6
283.29608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
60.96145	0.6
61.19040	0.6
69.30576	0.7
71.05021	11.6
75.49409	0.6
94.12474	0.7
103.79827	0.8
112.23521	0.7
167.14435	24.4
181.77322	0.8
211.13406	41.9
220.34195	0.8
225.40814	0.8
227.16708	0.9
229.14476	19.0
241.18108	100.0
268.03732	2.8
272.92059	0.7
283.06262	0.9
283.19193	54.3
283.26422	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1918
Annotation	Koninginin C
Peak:m/z	Relative Intensity
51.93379	0.7
67.03185	0.7
75.00858	1.4
75.29047	0.8
76.79520	0.8
101.06062	1.5
101.66885	0.9
113.75485	0.8
114.06808	1.4
137.09773	0.9
153.12831	2.0
165.84740	0.8
169.12357	4.1
181.12363	9.1
197.11865	1.6
199.13385	3.7
200.69621	0.9
237.14987	1.5
239.16547	1.2
244.77214	0.9
255.19492	1.1
265.18085	7.2
268.03796	88.3
283.06165	57.7
283.09280	1.9
283.15710	9.7
283.19162	100.0
283.26413	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
59.01373	0.6
60.06474	0.5
63.67337	0.6
69.86161	0.6
80.45432	0.6
89.63751	0.8
91.65341	0.6
92.23042	0.8
97.06616	3.9
113.09718	19.5
123.08177	2.6
125.09714	44.3
127.07646	0.8
141.09245	0.9
141.12918	1.5
169.08765	0.8
185.11841	47.6
265.21860	1.4
268.03818	11.1
283.06204	9.4
283.19354	45.0
283.23019	17.1
283.26627	100.0
286.21835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35369	0.4
60.12434	0.4
66.41935	0.4
72.99287	0.7
92.61408	0.5
119.80278	0.5
139.99530	0.6
227.07294	0.7
237.22252	20.4
265.21753	0.8
268.03732	8.7
283.06195	15.8
283.09753	2.4
283.22824	74.4
283.26437	100.0
298.79654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97295	0.6
67.43691	0.6
134.54935	0.7
185.40857	0.8
211.20648	3.1
235.20651	0.8
237.22299	11.3
239.23816	66.2
268.03781	3.9
283.06210	10.8
283.09293	1.4
283.22806	65.9
283.26428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09253	0.5
59.01381	46.5
62.61050	0.5
85.51302	0.6
92.21869	0.6
111.88345	0.7
137.65256	0.7
237.22296	0.7
239.23520	0.9
268.03778	4.2
283.06107	1.5
283.19794	1.9
283.22836	41.0
283.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2282
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
59.01384	99.5
63.33529	1.4
73.00832	1.3
83.05009	1.6
92.22455	2.9
97.48304	1.7
101.24315	1.3
237.75191	1.8
239.23759	2.2
268.03772	8.2
283.06085	2.2
283.22815	100.0
283.26425	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2282
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
63.07440	0.6
70.25786	0.6
72.75109	0.7
75.25384	0.6
77.92497	0.5
79.86651	0.5
92.22543	0.7
103.23280	0.6
110.87875	0.6
117.18793	0.6
122.01260	0.6
127.11303	1.2
155.10776	18.5
197.53255	0.8
247.20819	0.7
262.36807	0.6
265.21756	16.9
281.21365	0.9
283.22806	100.0
283.26370	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2282
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
52.60348	0.5
54.43662	0.5
59.01383	1.1
60.01836	0.5
67.47579	0.5
75.38001	0.5
84.63570	0.6
99.08167	2.5
105.23867	0.7
129.05573	1.2
129.26534	0.5
143.07181	4.1
160.56857	0.6
181.16023	0.7
229.99846	0.6
232.42897	0.6
237.22185	0.8
265.21777	6.4
268.03845	9.5
283.06210	6.5
283.19705	2.6
283.22824	53.0
283.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2281
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
59.01376	4.2
70.09357	0.6
71.01381	1.5
84.91557	0.6
101.19505	0.7
109.06576	4.1
111.08160	0.7
127.07634	19.2
155.14447	1.2
247.20500	0.9
265.21695	7.4
268.03809	6.5
283.06165	4.1
283.22812	75.6
283.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36799	0.4
58.65025	0.4
65.71774	0.4
70.91657	0.4
86.99723	0.4
108.42165	0.4
118.73764	0.5
127.11276	2.4
128.10129	0.4
128.44293	0.4
139.11281	0.7
165.35439	0.4
171.10269	13.6
173.68398	0.5
191.29726	0.4
237.22374	0.6
265.21756	19.0
268.03754	2.4
281.21103	0.7
283.06161	1.9
283.22809	100.0
283.26392	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49927	0.7
57.16237	0.7
59.01381	1.4
70.62571	0.7
71.66844	0.9
91.96781	1.0
101.55016	0.8
121.01904	1.0
122.45169	1.0
123.08168	1.5
141.09216	16.1
149.76190	0.9
171.70760	0.8
265.21750	14.1
268.03815	45.6
283.06168	30.5
283.22830	73.1
283.26453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52934	0.7
50.53155	0.6
59.33589	0.7
60.56520	0.6
63.02404	0.7
63.39630	0.7
72.34689	0.8
76.27331	0.7
80.77100	0.6
101.42918	0.7
102.05601	1.3
106.66933	0.7
107.01370	1.4
109.05194	0.7
113.29148	0.7
134.03734	1.1
145.41116	0.7
151.00366	3.7
171.10287	1.2
183.04622	0.8
200.04797	1.0
200.63849	0.7
227.03543	3.1
256.03757	7.1
269.04080	12.3
283.02414	0.9
284.03314	100.0
284.06412	10.2
284.15326	2.9
284.26807	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0778
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
54.00139	1.2
55.00344	1.2
70.02966	2.1
71.01383	1.3
77.56632	1.5
108.36365	1.5
109.02994	1.5
111.05328	1.4
114.01958	6.1
121.02974	1.9
123.04501	1.9
128.03502	2.3
148.03984	1.6
149.04822	1.4
150.05605	44.1
151.04031	2.0
151.05197	1.5
161.06061	7.6
162.05623	2.0
169.02534	1.2
176.03555	8.0
177.05595	2.4
178.05125	5.2
188.03522	5.2
204.06677	33.9
206.04597	100.0
222.07591	1.3
230.04568	2.6
248.05524	11.3
266.06723	72.1
269.04147	4.7
284.07962	17.6
284.26764	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.093
Annotation	Stauranthine
Peak:m/z	Relative Intensity
53.79218	0.4
75.00904	0.5
77.21592	0.5
82.94852	0.6
91.14583	0.5
93.03451	100.0
121.02942	5.4
152.72134	0.5
225.14159	0.6
252.61848	0.6
269.04147	8.4
283.02200	0.6
284.03174	4.3
284.06589	4.5
284.09296	81.2
284.15805	2.7
284.26840	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0933
Annotation	Arborinine
Peak:m/z	Relative Intensity
53.73206	1.7
76.49496	2.5
79.49445	2.6
89.55061	2.4
94.41354	2.4
114.01978	3.0
126.05602	11.7
137.03555	5.2
167.03432	3.5
168.03867	6.0
169.06204	32.6
181.05307	4.3
182.06134	16.8
194.06183	9.2
208.07262	8.3
209.04829	5.1
210.05638	100.0
214.05089	15.2
214.08537	2.5
224.07178	86.7
225.07962	62.2
226.08713	21.2
228.06561	9.8
239.05942	14.9
240.10226	69.3
254.08157	12.3
257.07108	3.1
269.04492	2.5
269.06946	20.4
284.06418	4.6
284.09305	95.8
284.12451	3.9
284.26801	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29926	0.8
51.23363	0.9
55.32681	0.9
57.03435	4.2
69.03456	1.8
74.95709	1.0
75.10072	0.9
77.19991	1.0
80.78748	0.9
97.06574	7.0
151.11287	100.0
167.10786	1.2
169.12360	17.3
177.09285	4.0
185.33646	1.0
195.10327	9.7
197.11862	16.0
212.12943	37.8
224.84430	0.9
240.06801	1.1
241.10866	24.5
266.10471	4.7
284.11456	35.9
284.26749	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.187
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17281	0.5
65.32529	0.6
68.82639	0.6
69.83214	0.6
72.54678	0.5
83.04523	0.5
125.09753	1.3
127.11301	3.0
130.08737	100.0
134.74176	0.5
141.95866	0.6
142.26390	0.6
153.09193	0.6
168.10269	4.1
208.08069	0.6
240.19731	3.3
256.25604	0.7
259.96133	0.6
269.04123	15.6
284.06500	11.0
284.11481	2.1
284.15521	1.3
284.18707	41.0
284.26794	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2234
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
65.38106	0.5
122.51739	0.5
129.45244	0.5
223.20695	49.2
240.23346	3.2
243.93466	0.6
266.21216	7.5
267.19672	26.9
269.04208	5.0
284.06467	3.7
284.22351	100.0
284.26791	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
51.33834	0.6
52.07244	0.5
77.03945	1.1
79.01880	0.8
95.12514	0.6
97.02924	2.6
121.02914	5.1
123.04535	0.6
138.03230	2.9
139.04050	10.4
141.19394	0.6
149.02449	5.8
151.03952	1.1
161.06009	3.0
165.01929	5.9
171.08151	0.7
179.03496	8.4
199.07628	0.8
211.07715	3.8
213.09270	1.0
229.08624	3.1
239.07106	3.4
248.26160	0.8
257.08313	1.0
267.06653	9.7
285.07706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Moracin A
Peak:m/z	Relative Intensity
63.02386	1.0
64.92792	0.5
65.00311	2.1
69.66416	0.4
83.01384	3.2
106.61964	0.7
107.01380	5.0
108.02129	0.9
123.00798	0.5
136.01657	6.1
151.00386	10.0
164.01154	37.9
175.07632	2.8
191.60898	0.5
196.00128	4.6
198.06911	0.8
199.07712	0.6
201.05547	0.6
217.08676	2.4
223.13397	0.6
226.06337	0.9
228.04385	0.6
232.81581	0.6
241.08633	0.9
243.06624	8.4
270.05347	6.6
285.07706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0772
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
50.54511	0.3
62.26859	0.4
64.64301	0.4
65.00302	0.7
65.47953	0.4
71.05024	0.7
77.03968	1.0
79.01893	2.0
81.36413	0.4
83.20318	0.4
84.65967	0.4
86.80508	0.4
93.76720	0.4
97.02944	3.8
121.02937	6.7
137.02448	2.1
138.03215	1.0
139.04013	10.8
149.02426	6.2
151.04028	0.4
161.06041	2.1
165.01936	6.8
167.03508	0.5
171.08092	0.7
176.01134	0.5
176.04927	0.4
179.03508	11.3
183.02969	0.6
211.07703	5.4
213.09225	0.8
223.07645	0.9
227.03471	0.9
229.08664	3.0
239.07071	3.5
241.05005	2.7
241.08746	0.6
253.01450	2.5
257.08163	0.9
267.06659	9.0
269.04614	0.5
270.05310	0.9
282.15259	0.5
285.07703	100.0
285.27048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25569	1.3
72.00926	2.3
75.00867	3.0
78.95910	7.3
80.25204	1.4
88.95596	1.6
92.22482	1.8
100.04050	8.3
105.01930	100.0
110.98552	8.7
119.00348	1.7
131.04591	2.4
143.04622	3.5
151.05168	2.4
151.18942	1.7
151.58685	1.9
187.03590	3.7
205.00186	2.8
206.98056	2.0
208.50902	1.7
267.00266	6.3
285.01245	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
56.37072	0.4
59.01381	4.8
64.83446	0.4
66.05096	0.5
67.89300	0.4
71.01382	5.5
73.02934	1.0
85.02943	2.1
89.02434	3.1
93.03447	0.5
95.05020	2.8
99.00854	0.8
101.02419	3.8
113.02444	3.3
122.03731	2.1
123.04512	100.0
149.72842	0.5
161.04517	2.3
165.05606	1.0
285.06851	0.7
285.09879	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
54.00237	0.4
59.01378	4.6
66.48570	0.4
71.01378	4.5
73.02939	2.3
73.46662	0.5
85.02945	2.5
87.37675	0.5
89.02448	2.3
95.05009	2.5
97.36655	0.4
101.02442	3.8
107.05017	0.7
109.02998	0.5
113.02430	2.2
119.03501	0.5
122.03722	2.3
123.04515	100.0
135.04546	0.6
161.04561	2.4
165.05544	0.8
186.29216	0.5
193.26514	0.5
231.96191	0.5
238.37732	0.5
242.47737	0.6
261.55878	0.5
285.06924	0.9
285.09814	8.6
287.73041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	Salicin
Peak:m/z	Relative Intensity
75.57936	0.2
92.23132	0.4
98.56940	0.2
122.03744	0.8
123.04517	100.0
172.14384	0.2
186.34106	0.2
208.55748	0.2
237.21565	0.2
254.22823	0.2
285.09891	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1134
Annotation	Myrigalone H
Peak:m/z	Relative Intensity
51.14754	0.6
52.07578	0.8
52.90802	0.6
63.36423	0.8
76.81942	0.7
97.39871	0.8
97.74782	0.8
117.61824	0.9
138.03264	5.5
161.02557	0.8
165.01926	4.5
166.02704	82.9
173.06065	1.1
179.03528	5.9
224.08514	6.8
249.74188	0.9
251.07278	1.1
252.07964	15.3
267.10388	8.2
270.08972	13.0
285.11340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1135
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
57.03450	0.7
79.01882	1.0
82.22443	0.6
85.06580	1.4
96.53203	0.6
105.04690	0.6
109.06577	4.5
111.04501	3.1
113.78838	0.7
135.04515	3.4
149.76544	0.8
150.06810	0.8
153.05580	23.0
173.06082	1.4
176.04794	1.5
179.01910	0.6
179.03441	4.9
180.04166	0.7
185.09660	1.3
194.05811	3.0
198.95425	0.6
199.11330	1.1
225.32854	0.7
239.10863	5.3
241.12360	19.4
264.93021	0.7
267.10266	8.3
283.75739	0.7
285.11346	100.0
285.20685	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1247
Annotation	Schradan
Peak:m/z	Relative Intensity
53.98317	0.4
56.36061	0.6
62.03286	0.5
69.03455	0.6
72.99309	0.6
83.01371	0.7
91.31406	0.6
120.09375	0.6
142.58667	0.6
160.04039	1.2
161.04822	100.0
162.05595	8.3
171.10257	0.7
172.90024	0.6
175.02748	2.5
181.14638	0.7
192.02989	3.8
193.03812	11.6
201.11322	4.7
223.13393	2.6
241.14536	2.3
261.76318	0.7
267.12607	0.9
285.12469	66.5
287.74258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
59.01401	0.6
69.50808	0.5
71.05016	0.6
72.37589	0.4
97.06608	0.6
103.21341	0.5
113.02447	0.8
137.62354	0.5
147.28999	0.5
171.10255	0.6
179.14432	46.0
179.30309	0.6
195.13919	3.0
197.15498	100.0
199.04028	0.8
218.68298	0.6
223.13393	6.7
227.03398	0.9
241.14494	59.3
242.02255	0.7
255.10318	0.5
261.99478	0.6
270.01605	0.8
285.04263	1.0
285.07593	2.6
285.13510	20.1
285.16818	1.8
285.27222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53421	0.5
57.03454	0.8
68.15514	0.6
70.38026	0.6
97.06601	5.7
101.57082	0.7
110.42982	0.6
112.69000	0.6
123.08147	1.4
125.09715	100.0
130.61255	0.7
143.10767	1.7
164.03612	1.1
169.08714	3.2
187.09769	98.4
223.16930	0.7
241.14413	0.9
241.79320	0.8
270.04178	1.6
285.06644	1.0
285.13654	2.8
285.17236	3.1
285.27081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52894	1.0
57.03455	33.0
59.01383	18.0
61.40625	1.1
62.50853	1.1
71.01380	2.0
73.02949	2.8
73.09805	1.2
73.52343	1.4
85.52607	1.3
89.02440	8.1
91.04009	44.7
109.06591	100.0
112.04824	1.3
117.01936	2.2
125.06145	1.3
134.01762	1.7
151.07602	13.6
153.05577	94.9
161.04868	2.4
162.05624	1.8
167.10811	2.1
178.06349	2.6
190.33623	1.4
193.08716	52.2
211.09761	2.1
213.02301	1.3
221.22493	1.3
225.11360	1.6
227.09270	93.4
238.19060	1.4
285.09991	2.2
285.13480	65.2
285.16980	5.7
285.27060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1345
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
57.30693	1.1
59.50135	0.9
75.72432	1.1
93.99662	1.0
97.06616	1.2
179.14394	15.6
179.63873	1.2
190.21632	1.3
197.15477	100.0
223.13383	15.1
241.14459	89.2
285.03802	2.0
285.13467	37.1
285.16672	1.4
285.27100	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49544	1.1
58.02978	4.5
65.48300	1.1
65.54781	1.0
70.02974	12.1
81.02197	1.3
87.05643	1.5
95.02484	1.6
96.00905	25.8
113.03543	19.5
114.01966	37.4
116.91070	1.3
131.04619	43.5
137.02434	9.0
152.10803	100.0
153.62599	1.4
165.16988	1.4
170.11893	14.5
173.07164	1.9
175.75484	1.2
186.74179	1.2
267.13531	17.5
285.14566	57.3
285.17322	5.0
285.27094	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1458
Annotation	Abacavir
Peak:m/z	Relative Intensity
57.60786	1.1
58.02980	3.0
61.16734	1.1
61.72358	1.0
70.02982	12.0
70.78158	1.2
87.00859	1.4
96.00903	30.2
104.01556	1.3
113.03559	20.0
114.01956	34.9
127.78625	1.3
131.04623	45.8
152.10797	100.0
170.11795	11.8
190.32465	1.3
267.13550	18.6
285.14597	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33333	1.6
52.27707	2.0
53.28115	1.6
59.01382	100.0
62.22882	1.6
85.83337	2.0
95.88420	2.1
116.77988	1.9
146.56073	2.0
162.17686	2.0
199.04079	3.0
251.60349	2.3
264.99042	2.1
285.07614	3.6
285.27185	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
52.52004	1.5
57.94579	1.5
58.02972	2.4
59.01371	3.7
63.90340	2.0
64.47619	1.7
65.54676	1.5
68.95019	1.7
83.80988	1.9
125.19281	1.9
130.08728	80.9
130.09674	3.4
154.08742	12.4
171.10152	2.4
199.18164	98.3
201.11528	2.4
223.13434	3.5
238.02982	2.5
241.14577	2.2
241.19221	3.8
243.17006	2.6
285.13248	8.9
285.18253	100.0
285.27060	4.5
291.46997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2075
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.50679	0.4
69.00608	0.6
85.06596	2.7
90.09810	0.5
121.75480	0.5
121.76385	0.5
123.08132	0.5
125.09685	1.1
127.11280	2.2
139.03922	0.6
160.42882	0.5
171.10278	3.8
199.13321	0.8
223.20706	0.7
241.13483	1.1
249.18779	1.0
265.18060	2.5
267.19702	7.1
283.19241	0.5
285.07809	6.1
285.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
62.41779	0.6
98.91428	0.8
106.36492	0.7
213.94218	0.9
223.20674	87.2
233.24747	0.7
241.21770	2.9
267.19666	53.8
276.52945	0.7
285.20737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2076
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.58652	0.5
54.17034	0.5
57.89858	0.5
59.01348	0.8
59.68041	0.5
79.69144	0.5
85.06577	1.3
91.85684	0.7
104.65005	0.5
124.34219	0.6
150.02234	0.6
153.12849	0.8
155.14426	1.0
156.76950	0.7
159.20216	0.6
166.90500	0.6
183.13867	1.0
199.13414	15.2
223.20595	0.7
228.13698	0.8
239.19987	0.8
239.23767	0.9
255.19531	0.9
267.17313	0.7
267.19733	11.8
283.19189	5.2
285.20624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.55645	0.5
58.45746	0.5
84.71710	0.6
85.06576	0.7
96.49864	0.7
129.19566	0.6
155.14429	0.8
170.32089	0.6
183.13882	0.9
199.13412	15.5
211.06302	0.8
239.20230	2.5
255.19722	1.0
255.38045	0.8
267.19656	7.7
283.19189	4.1
285.20746	100.0
285.27240	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09601	0.6
78.98470	0.8
119.31807	0.7
216.27354	0.6
237.22134	1.2
239.23820	80.8
267.23245	0.8
285.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2436
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.64106	0.7
53.88235	0.7
61.38115	0.6
71.69306	0.6
75.97047	0.7
237.22264	1.1
239.23816	93.5
267.23273	1.3
283.22720	1.2
285.24377	100.0
292.34415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
74.32624	0.8
90.09773	0.8
93.83335	0.7
114.43305	0.7
189.32411	0.8
237.22231	1.5
239.23807	86.7
267.23309	1.0
285.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2437
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.22289	1.0
58.36290	1.1
59.01381	100.0
86.16103	1.3
99.50764	1.3
138.18834	1.3
202.29001	1.3
206.32678	1.3
239.23804	2.0
285.24377	93.0
285.27045	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2438
Annotation	17-hydroxyheptadecanoic acid
Peak:m/z	Relative Intensity
54.82990	1.3
59.01383	100.0
65.59155	1.4
67.58585	1.2
74.61450	1.4
78.43759	1.3
112.75256	1.6
124.85085	1.5
167.95378	1.8
218.17802	1.8
285.24396	85.9
285.26996	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52788	1.1
68.05050	1.4
71.01376	21.2
81.02206	1.4
82.02972	1.5
82.96140	1.3
83.01395	1.7
84.04549	13.1
85.02956	2.0
87.00861	2.3
94.02972	8.2
98.02473	2.7
99.00887	9.2
100.36234	1.2
101.36912	1.2
103.00352	6.2
112.04035	44.4
124.04022	1.5
138.05641	10.2
142.05090	15.5
156.03011	16.2
163.48476	1.2
165.30382	1.3
186.04099	56.5
196.06126	5.7
198.04089	5.5
226.07179	2.9
233.48175	1.4
256.04642	2.0
286.05756	100.0
286.09271	8.6
286.12485	2.1
290.29153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16476	0.3
52.59726	0.4
57.19167	0.4
58.44028	0.4
71.54065	0.4
77.03960	0.8
79.01888	0.6
97.02946	0.8
98.03242	0.6
102.22318	0.4
121.02952	3.0
122.03294	2.4
125.36998	0.4
126.78614	0.4
127.78004	0.4
138.03232	0.6
139.04024	4.0
140.04338	3.4
149.02432	3.5
150.02800	2.7
161.06085	0.7
162.06384	1.0
165.01857	2.6
166.02278	3.5
172.08531	0.9
179.03525	3.3
180.03828	5.0
196.08348	0.6
200.07927	0.5
212.08043	4.9
214.09642	0.8
223.10017	0.4
230.09058	2.4
240.07579	3.2
242.08971	0.7
258.08530	0.7
268.07013	9.3
286.08057	100.0
289.23477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06634	1.5
54.61506	1.5
94.02969	6.5
96.04523	3.6
109.01704	2.8
111.00868	65.3
113.02412	1.5
116.12443	1.4
117.99652	1.8
123.03256	19.8
130.08730	100.0
142.50150	1.6
152.10785	3.5
154.01439	7.3
154.12354	8.5
154.99866	3.6
156.06628	3.1
162.09221	2.5
178.08705	1.8
180.03035	16.0
180.10318	36.2
181.03877	1.8
198.11348	7.5
207.10217	3.2
224.09294	29.7
225.04385	1.9
225.11295	6.3
242.10205	2.4
256.08289	8.1
268.08334	11.1
268.15454	1.9
286.04089	2.9
286.09650	11.2
286.13739	2.8
286.16608	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76157	1.3
56.78225	1.2
58.83416	1.2
59.78828	1.2
64.80837	1.2
64.81208	1.4
71.01384	12.8
77.73183	1.6
85.64819	1.4
88.04025	100.0
93.04544	2.8
115.00349	23.3
127.11257	5.6
132.03015	20.9
152.10805	97.1
170.11862	15.8
171.10260	34.4
184.16257	1.4
209.54111	1.5
242.13948	17.4
259.79242	1.5
268.11862	1.7
286.12997	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1297
Annotation	(2E)-hexenedioylcarnitine
Peak:m/z	Relative Intensity
54.76157	1.3
56.78225	1.2
58.83416	1.2
59.78828	1.2
64.80837	1.2
64.81208	1.4
71.01384	12.8
77.73183	1.6
85.64819	1.4
88.04025	100.0
93.04544	2.8
115.00349	23.3
127.11257	5.6
132.03015	20.9
152.10805	97.1
170.11862	15.8
171.10260	34.4
184.16257	1.4
209.54111	1.5
242.13948	17.4
259.79242	1.5
268.11862	1.7
286.12997	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08392	0.9
92.22421	1.0
112.04041	1.1
116.07167	100.0
125.09709	20.9
161.04797	7.0
162.05162	10.7
198.18593	1.6
219.53647	1.1
224.13705	1.7
224.16588	8.6
242.17668	2.7
268.15518	2.6
286.13000	10.4
286.16599	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
59.15142	0.8
67.65436	0.7
76.87434	0.7
85.53789	0.8
97.02940	1.2
99.00861	1.4
125.09713	1.9
134.02126	0.8
142.05028	0.9
163.11349	7.1
163.12453	0.9
177.43254	0.8
181.12349	24.5
197.11880	1.6
207.10284	52.2
225.11320	68.7
286.07404	1.6
286.16617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41350	0.5
62.68897	0.4
68.76450	0.4
79.40439	0.5
85.06554	0.4
91.01363	0.6
91.94391	0.5
92.23116	1.0
149.30229	0.4
199.13443	2.2
200.13826	4.1
213.14952	2.1
214.15344	9.1
224.62320	0.5
240.20526	1.9
256.19864	1.0
268.19958	10.2
284.19565	4.4
286.06909	0.7
286.21097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.95473	0.7
61.56595	0.6
74.06100	1.3
90.42481	0.6
190.78169	0.7
214.15279	1.7
240.23402	5.6
242.21249	1.6
255.51662	0.8
268.19971	4.0
268.22583	1.0
273.67972	0.8
286.21317	5.2
286.23898	100.0
306.01990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30233	1.5
55.64215	1.3
56.73731	1.2
59.01379	23.7
65.85776	1.4
70.70346	1.3
74.69339	1.6
78.95872	1.8
88.40511	1.6
91.05254	1.5
93.12748	1.5
101.00920	1.9
107.30426	1.5
115.02456	1.8
117.00436	89.6
124.33090	1.5
143.00102	3.2
143.99748	2.6
144.97470	1.9
144.99936	100.0
145.01089	3.2
159.01495	65.7
187.00996	38.3
197.07063	1.7
217.00586	8.6
227.98087	1.5
241.00520	3.5
243.02153	2.1
245.00037	2.7
259.01620	35.7
287.01132	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21609	8.8
61.61727	9.9
62.31337	9.4
70.02953	9.3
75.34222	10.5
77.03369	8.6
77.51738	8.7
78.95890	10.9
88.48324	10.0
96.96000	47.1
96.96986	12.8
110.02513	13.9
114.01955	15.0
130.54713	9.6
131.04604	21.3
145.24062	10.4
164.74138	11.2
172.01009	100.0
239.62956	12.0
269.01007	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65805	0.5
61.26221	0.5
70.52893	0.6
71.01349	0.6
72.00921	0.6
72.99290	7.1
103.48140	0.5
105.01968	0.8
105.05830	0.6
110.98763	0.5
111.01984	1.1
115.00372	2.6
133.01419	7.8
167.97891	0.6
171.02617	0.8
183.02628	1.3
184.01057	2.3
185.98947	48.5
209.00620	11.0
213.03731	0.6
225.03618	0.6
227.01608	100.0
231.03574	3.3
269.02615	3.5
287.03763	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0411
Annotation	Furamizole
Peak:m/z	Relative Intensity
56.54370	1.0
57.03439	0.9
59.68871	0.7
63.45602	0.7
71.01366	5.8
72.99305	30.1
72.99693	1.8
83.01378	1.1
85.02959	7.5
93.03430	0.8
95.05003	1.4
97.02911	1.2
97.06598	1.6
107.05002	3.0
109.02883	1.0
109.06570	0.9
111.04533	4.5
113.02458	1.8
113.06054	1.1
115.00348	1.0
119.05021	10.6
121.33933	0.7
123.04520	6.5
125.02426	4.0
125.06075	17.7
127.02776	0.8
135.04535	3.1
137.06129	0.9
139.03990	9.4
141.05562	10.5
143.03499	1.1
151.04037	1.6
155.03474	1.9
157.05009	1.1
163.04001	30.4
167.03458	7.2
169.05067	9.8
181.05089	3.1
185.04530	4.3
195.03038	1.2
196.68800	0.9
197.04555	41.2
213.04074	3.3
225.04070	1.1
243.05067	8.3
257.02960	1.0
287.04129	100.0
287.07645	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.20082	0.3
64.91083	0.3
67.44431	0.3
73.65307	0.3
77.25193	0.4
92.23080	0.7
97.06572	0.8
99.61317	0.4
103.14362	0.3
111.08138	2.4
118.08209	0.3
173.08238	2.2
181.15935	0.5
187.03973	0.9
200.04788	5.4
225.15030	1.5
228.04297	100.0
243.06633	26.6
247.61302	0.4
269.13968	0.6
287.01999	1.9
287.05652	3.7
287.15082	3.7
287.18423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71544	1.1
62.82366	1.0
64.71877	1.2
65.89989	1.0
72.17254	1.2
72.78175	1.2
73.82073	1.4
115.20299	1.6
115.90617	1.5
164.03610	1.4
166.60327	1.4
173.03525	6.0
181.07793	1.4
183.05664	10.0
213.02019	1.3
215.04628	34.9
225.02985	1.3
234.94550	1.4
243.07854	3.1
246.58357	1.3
287.06757	100.0
287.09802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72144	1.0
87.47462	0.9
104.12189	0.9
110.92577	1.0
126.02866	0.9
126.97451	1.0
135.39211	0.9
137.49492	1.0
173.03529	3.7
183.05658	11.1
215.04657	38.4
225.06764	1.0
243.07785	4.2
261.23563	0.9
287.06757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12936	1.0
92.22484	1.3
99.61122	0.8
104.98563	0.9
144.44008	0.9
173.03581	4.9
183.05655	11.0
203.57794	0.9
215.04649	38.2
243.07762	4.2
287.06769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31691	0.9
61.15418	0.8
66.19826	0.8
66.42493	0.9
71.73709	0.9
126.82154	0.9
157.07649	1.4
173.03580	6.2
175.22598	0.9
183.05658	11.8
201.50706	1.0
215.04643	39.1
243.07773	4.3
257.08182	1.5
287.06763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01362	0.7
69.03433	1.0
71.01357	1.0
72.99287	0.6
73.02934	3.2
75.00861	1.6
76.99332	0.6
83.05038	3.4
85.02953	3.8
86.77674	0.7
87.04512	13.6
88.75938	0.6
89.02422	3.9
91.37041	0.7
93.03436	1.2
95.05013	1.7
97.02945	1.5
97.06562	0.7
99.00876	0.8
99.04522	14.0
107.05022	1.5
109.02925	1.4
110.02509	1.3
111.04512	13.1
113.02446	100.0
113.05993	0.7
115.04035	1.4
123.04536	1.3
125.06090	6.3
127.04018	6.3
137.09729	1.4
139.03969	1.4
153.09186	3.1
155.03493	3.5
163.04012	1.0
163.07637	6.0
167.07178	1.4
169.05077	22.4
173.04538	0.8
179.07077	0.8
181.08685	6.7
185.11865	0.6
185.36783	0.8
197.04681	0.8
199.02538	1.3
207.06569	5.2
210.36346	0.9
222.80852	0.7
225.07651	4.4
287.04327	4.2
287.07733	70.1
287.14835	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72224	1.0
54.22804	0.9
55.01884	2.4
59.01392	1.3
59.73492	1.1
69.03452	100.0
71.01396	1.0
72.99308	1.2
79.01864	2.1
85.00476	1.4
85.02931	1.5
87.00901	1.6
92.23367	1.3
93.03458	5.7
97.02940	23.6
99.00879	26.6
101.06074	10.6
111.00869	1.2
111.04509	1.2
125.09718	1.5
141.01929	8.6
173.04570	7.1
179.07155	2.0
181.12398	1.7
185.00923	43.0
199.07651	5.3
199.13403	1.9
199.27878	1.2
223.97154	1.2
225.11301	1.3
228.40216	1.2
260.20062	1.2
287.05051	3.9
287.08075	16.8
287.11340	4.3
287.14935	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.79939	0.8
58.84805	0.8
58.95483	0.8
69.03458	100.0
79.01902	2.2
85.84148	0.8
96.29810	0.9
97.02948	17.1
99.00888	27.8
101.06093	8.9
104.25027	0.9
112.49394	0.8
141.01950	8.7
157.69460	0.9
169.05054	1.1
183.51248	1.0
184.99283	1.5
185.00923	37.5
185.02534	2.0
287.07724	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1039
Annotation	Limazepine A
Peak:m/z	Relative Intensity
68.94373	0.8
69.96557	0.9
81.03452	16.4
107.06214	0.9
116.13830	1.0
122.06083	2.0
125.89317	0.8
128.72768	0.8
148.07658	4.0
159.14091	1.0
161.07227	13.8
180.86621	0.9
213.06679	1.5
215.11879	34.2
216.10284	5.8
223.15378	0.9
243.00536	1.0
243.11392	86.4
259.10944	4.1
272.50079	1.0
287.10406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.104
Annotation	Limazepine A
Peak:m/z	Relative Intensity
74.83044	0.8
85.86874	0.8
118.14905	0.9
121.02938	0.9
125.09740	1.2
148.07686	2.0
150.09157	1.2
176.07164	5.6
179.82275	1.0
188.10805	2.1
200.10858	1.5
212.06017	2.1
213.06729	9.6
213.10384	1.5
215.11906	1.5
216.10333	12.7
226.08752	1.5
228.09149	1.7
240.05409	10.6
241.09830	18.1
243.11406	52.4
269.09344	82.9
287.10413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46233	1.1
57.03432	1.5
59.01381	4.3
67.01890	2.7
68.99818	0.9
69.03475	1.2
71.01373	2.3
73.65353	1.1
85.02960	2.1
87.00900	1.7
93.03454	30.3
93.81534	1.1
111.04520	7.2
113.06095	6.6
127.04043	1.9
133.02948	1.7
137.02461	6.6
155.03557	6.3
164.04826	1.3
173.04561	100.0
179.03539	1.5
191.05634	77.7
196.58293	1.1
209.11813	6.9
240.92860	1.2
287.11371	22.5
287.14993	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1405
Annotation	Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate
Peak:m/z	Relative Intensity
53.83389	0.6
60.95972	0.7
70.42748	0.7
79.73108	0.8
85.76101	0.7
99.24366	1.0
102.57101	0.9
115.43808	0.7
119.58024	0.8
124.07635	1.0
129.01326	0.7
135.06915	1.5
149.04784	1.4
151.11310	3.1
158.90126	0.8
163.06398	81.2
164.07185	9.5
164.69621	0.9
166.05084	1.5
169.06583	1.0
169.12321	6.2
177.04324	3.6
194.04584	5.0
195.05396	40.8
213.11269	1.2
287.14044	100.0
299.57050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58901	0.3
57.03449	0.4
57.81925	0.3
59.01390	0.7
76.63544	0.4
82.02774	0.3
89.02446	0.5
91.04011	1.5
97.06599	0.8
102.58568	0.3
151.10066	0.5
151.11285	14.5
164.14696	0.4
169.12344	100.0
173.06000	0.5
195.10265	4.0
211.92421	0.4
213.11334	12.3
227.07237	0.7
245.08104	0.7
255.03140	0.6
275.72357	0.4
287.01950	3.7
287.05157	1.0
287.15018	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03444	3.5
59.01383	19.6
60.32698	2.0
66.23301	1.9
67.13497	2.0
69.03461	2.9
70.24244	2.0
71.01373	3.2
71.05019	4.8
73.02965	1.9
74.93653	2.4
81.03434	5.0
82.23183	2.0
83.05023	25.0
84.64092	2.0
85.02943	3.7
85.37592	2.1
87.04486	3.2
95.05052	2.5
97.06574	10.3
99.04499	4.2
101.02448	9.1
106.79897	2.2
112.04042	9.7
113.02443	12.4
115.04002	20.3
115.70241	2.4
125.02488	2.2
131.03499	10.9
137.09706	3.9
137.91029	2.2
145.34485	2.3
149.09743	3.3
152.29782	2.0
155.10806	8.8
162.19621	2.0
246.66736	2.5
269.14026	2.7
287.08670	3.5
287.15030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82882	0.5
53.04004	0.5
55.07084	0.4
68.82831	0.5
81.79475	0.6
91.25488	0.5
97.06568	2.4
122.98709	0.6
151.11279	26.3
156.06622	0.6
163.06396	11.1
164.07120	0.8
169.12344	100.0
177.04370	0.7
195.05379	6.6
195.10367	1.2
213.09602	0.8
213.11328	20.9
287.02029	10.4
287.09369	1.3
287.14905	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
55.17329	0.5
71.36217	0.6
83.54617	0.6
106.94722	0.6
111.78238	0.5
121.02935	0.9
122.03741	3.3
135.04514	17.6
136.05289	2.8
144.18552	0.6
148.05261	2.7
150.03217	6.5
154.59882	0.7
163.04010	32.6
164.04805	5.6
175.04015	1.0
175.07584	2.3
176.04773	4.1
203.07143	4.8
204.07903	0.8
218.09485	14.8
244.14668	6.0
258.16232	6.7
259.17023	3.2
272.14209	9.5
287.16553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1656
Annotation	D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione
Peak:m/z	Relative Intensity
59.01383	15.7
74.54362	3.2
81.03447	3.3
83.05020	18.3
109.36694	3.2
119.96928	2.8
130.19754	3.3
147.08234	4.3
148.08864	5.0
148.66443	3.7
161.09752	21.9
178.95895	3.6
189.12904	100.0
215.14397	5.4
243.17543	67.9
287.16498	85.3
287.22113	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22631	1.7
53.58935	1.8
57.03460	2.2
59.01379	9.0
62.79969	1.7
92.22563	3.0
94.89815	2.1
95.05006	2.4
109.06599	3.4
123.08183	4.4
161.09671	11.1
189.12842	43.2
215.14485	4.8
219.68605	2.4
239.40646	2.0
243.17546	53.3
269.21210	12.8
285.20746	8.9
287.02014	4.8
287.13074	8.0
287.16537	100.0
287.22238	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86967	1.0
59.01374	5.2
61.45261	0.8
74.33273	0.8
77.17115	0.9
81.43418	0.9
87.81693	1.0
95.05018	7.0
95.41417	0.9
97.06601	1.1
101.71397	1.0
106.04181	1.6
107.05041	1.5
108.00470	1.0
109.06564	8.2
121.06599	4.6
123.08154	4.8
131.03525	1.2
135.08174	2.1
147.08154	1.6
149.09711	6.1
161.09752	1.6
173.11826	8.6
175.11282	1.4
189.12848	5.7
215.14340	1.4
243.17540	31.0
269.15436	1.1
287.16565	100.0
287.22269	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28912	0.9
54.58880	0.9
59.01367	2.4
60.73498	1.0
69.34446	0.9
75.75040	1.0
83.05051	1.5
92.23035	1.4
95.05017	5.2
106.04175	1.7
107.05025	1.6
109.06601	10.1
117.07098	11.4
121.06550	2.4
123.08164	5.1
135.08151	2.5
135.11813	1.3
147.08194	1.2
149.09747	4.6
161.09695	1.5
165.40512	1.4
175.11287	2.3
189.12892	6.4
211.20731	1.6
239.20012	1.2
240.66574	1.2
241.21681	2.6
243.17561	33.1
269.15521	1.7
269.21332	5.3
285.20856	2.2
287.16574	100.0
287.22198	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.8
64.44966	0.6
98.43372	0.7
98.53842	0.8
99.66109	0.7
122.97019	0.7
138.21443	0.6
155.65544	0.7
166.34337	0.8
195.44875	0.8
207.17526	8.4
215.58136	0.7
225.18614	34.9
241.18115	49.3
251.16687	1.1
269.17630	3.5
269.21106	1.0
287.18698	100.0
287.22003	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2019
Annotation	trans-Dehydroandrosterone
Peak:m/z	Relative Intensity
50.60379	1.7
54.42054	1.9
61.47374	1.9
64.63979	2.5
68.92966	2.0
79.24812	2.0
82.46761	2.1
101.27978	2.4
120.16412	2.4
155.41760	2.5
243.21204	57.5
250.17905	2.8
287.20148	100.0
303.42560	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.202
Annotation	trans-Dehydroandrosterone
Peak:m/z	Relative Intensity
50.38529	0.6
50.98955	0.6
59.01382	11.2
65.38551	0.7
73.62862	0.7
77.56593	0.8
82.03891	0.8
89.42455	0.8
102.67545	0.7
103.33508	0.8
104.01208	0.8
113.05765	0.8
159.52385	0.8
173.13368	1.0
234.61577	0.8
287.20169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2233
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03445	3.6
58.72803	0.6
59.58961	0.7
61.15058	0.6
63.43531	0.6
78.51580	0.6
85.02930	4.8
86.78589	0.7
100.96239	0.7
123.56853	0.7
131.52872	0.7
183.17538	19.2
191.41490	0.8
211.20683	13.9
221.19090	1.1
223.20674	9.1
239.20226	4.4
241.19211	1.0
241.21736	32.4
287.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
74.65921	0.4
80.29794	0.4
85.06585	0.9
99.72545	0.4
115.07650	2.1
150.82048	0.5
155.14409	1.0
171.13898	0.6
183.13901	0.9
189.12914	1.8
199.13393	3.0
203.39183	0.5
229.14503	1.7
251.20233	2.3
257.48334	0.5
267.19690	2.2
269.21231	13.1
285.20715	11.5
287.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.08015	0.7
59.01363	0.9
61.84819	0.9
63.53383	0.7
64.63561	0.8
67.59481	0.7
82.67271	0.8
83.84965	0.8
103.80368	0.8
114.41082	0.8
115.07617	1.3
155.14496	1.1
157.71527	0.9
199.13533	0.9
243.17526	1.6
251.20085	1.8
267.19513	1.2
269.21265	15.3
285.20834	6.6
287.16632	5.8
287.22308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
72.57301	0.7
72.99304	28.9
75.00871	19.4
81.85269	0.7
83.83224	0.8
90.30359	0.9
92.45208	0.7
93.52641	0.8
97.51442	0.7
165.28156	0.7
211.20636	3.1
241.21750	1.9
287.22311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10072	0.4
53.33422	0.3
56.86715	0.4
59.01377	1.1
60.36913	0.4
64.48103	0.4
64.81725	0.4
65.17709	0.4
79.56738	0.4
95.05014	0.5
109.06606	0.7
113.09718	3.0
117.07071	1.2
123.08156	0.8
127.11280	2.1
141.09198	0.5
143.10788	2.8
149.09653	0.5
152.70647	0.5
157.12325	0.8
171.10260	2.1
189.12898	0.8
198.64284	0.5
201.11346	1.1
211.20612	0.6
225.18480	0.6
239.20140	2.2
241.21738	7.3
243.17459	4.5
251.20195	1.1
269.21268	11.7
285.20795	4.8
287.17075	13.5
287.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01155	0.4
52.54737	0.5
53.19325	0.5
63.60340	0.5
71.01373	2.3
72.99303	0.5
79.13890	0.5
88.04015	1.0
101.66506	0.5
106.48115	0.5
110.02471	100.0
111.00845	0.8
112.28610	0.4
113.86988	0.6
115.00370	6.4
116.57792	0.5
120.29782	0.5
132.03043	4.9
138.05670	0.5
154.01443	0.7
182.04591	7.7
226.03596	19.7
235.15527	0.5
240.70140	0.4
244.52364	0.5
266.28778	0.5
270.02591	1.1
288.03696	9.5
288.06851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09914	0.6
66.03483	3.1
72.69474	0.6
93.19031	0.7
94.02987	33.2
112.79700	0.7
124.04044	100.0
157.52188	0.8
226.07356	0.9
288.08551	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09914	0.6
66.03483	3.1
72.69474	0.6
93.19031	0.7
94.02987	33.2
112.79700	0.7
124.04044	100.0
157.52188	0.8
226.07356	0.9
288.08551	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85634	0.5
63.59410	0.4
66.03492	3.8
72.85457	0.5
78.03500	0.6
86.06113	0.6
94.02986	36.3
99.92229	0.5
100.43469	0.6
101.29134	0.5
104.19543	0.6
119.05035	1.0
124.04039	100.0
148.02518	0.5
153.60785	0.6
170.04572	2.2
244.09918	0.7
288.09103	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78659	0.6
66.03493	3.0
74.36795	0.5
77.58868	0.6
90.27395	0.6
93.03438	1.4
94.02987	32.6
114.09478	0.6
119.04997	1.3
124.04041	100.0
244.09865	1.1
288.05600	1.4
288.08813	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92691	0.9
66.02527	0.9
72.55199	0.9
72.99310	15.5
75.00869	74.2
102.28860	1.2
145.07298	1.0
171.08884	1.2
182.61084	1.0
194.15472	1.2
212.16635	7.1
212.33987	1.0
224.16589	2.2
242.17519	1.1
288.08945	2.2
288.18210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12580	0.3
54.75025	0.3
59.01371	1.4
62.55973	0.3
69.18441	0.3
72.28423	0.3
73.35777	0.4
85.06574	1.5
94.36303	0.3
108.53015	0.3
115.07650	0.8
116.07996	0.4
127.11280	0.3
156.14725	0.7
184.14235	0.6
200.13748	0.6
230.15009	0.5
252.20558	2.0
268.19968	0.7
270.21591	13.3
277.50723	0.4
286.21030	7.3
288.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76767	0.4
57.75709	0.6
58.10338	0.5
70.75313	0.6
71.01386	0.7
72.99287	6.1
92.95879	0.5
114.98872	10.9
115.00373	1.2
133.01433	4.1
156.99934	2.1
164.14435	0.6
172.99409	15.2
173.00908	1.2
184.99437	3.5
186.97354	100.0
187.98651	10.1
190.67793	0.6
191.05624	24.9
202.98824	0.7
211.00549	0.9
215.00449	7.9
228.98389	55.5
229.01363	19.3
289.00507	9.8
289.03558	6.5
305.68869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51101	0.3
64.67099	0.3
71.01382	5.7
72.99305	1.0
87.00853	0.5
87.42264	0.4
89.02442	0.8
115.00359	35.6
118.35101	0.4
133.01424	100.0
171.26001	0.4
289.01831	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31818	1.1
71.01390	4.4
72.99321	1.3
98.66499	1.0
110.25813	1.0
115.00365	33.2
133.01433	100.0
144.27911	1.0
151.77066	1.4
156.13896	1.0
181.94595	1.1
187.44099	1.0
280.78738	1.3
289.01758	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84184	0.3
78.95899	1.4
85.02952	2.4
87.00891	0.4
96.96956	4.3
127.03969	0.7
173.04530	0.7
191.05629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23347	0.4
59.92262	0.5
62.81194	0.4
65.58052	0.4
72.99298	2.5
78.95921	0.8
85.02940	3.0
87.00845	0.8
96.96010	4.9
96.96950	2.7
114.98872	4.9
115.00357	2.7
128.59036	0.5
131.04605	0.7
133.01428	7.6
136.93996	2.4
142.96611	1.3
145.12688	0.6
145.93979	0.7
160.97665	0.9
172.00992	0.7
172.99414	6.3
173.00999	0.9
173.04567	0.8
174.99173	0.7
175.69020	0.5
184.97656	6.4
184.99275	1.3
186.97346	36.2
187.98688	9.3
191.05618	100.0
201.90649	0.8
202.90901	0.5
202.98781	7.5
211.00259	0.5
215.00537	2.6
228.98378	20.1
229.01390	16.0
247.27921	0.5
247.91307	2.1
268.34644	0.5
289.00497	3.4
289.03485	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44295	0.5
71.49892	0.5
112.90495	0.6
149.11443	0.9
173.06079	3.9
174.03214	5.3
175.04045	0.8
177.01965	2.7
201.05605	1.4
201.11319	1.0
202.02666	0.8
209.11894	1.4
217.05124	0.9
218.02141	0.7
219.09094	0.6
227.03503	1.0
231.02963	0.8
242.11703	0.7
245.04527	1.2
246.01732	11.4
261.04156	0.8
274.01218	100.0
289.03574	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0357
Annotation	Anhydrofulvic acid
Peak:m/z	Relative Intensity
54.24583	0.8
65.02473	0.8
67.82346	0.8
95.79337	0.8
159.04425	3.7
173.06087	1.1
175.04030	5.3
177.01926	1.1
185.02411	1.0
186.03262	3.5
187.04022	1.5
201.05605	1.6
203.03555	6.1
215.03592	1.2
217.01604	1.2
217.05061	46.0
227.03514	1.6
229.01532	1.3
230.02219	20.1
231.02998	100.0
245.04565	22.9
289.03589	62.8
304.58920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23707	0.3
79.95733	2.2
85.26772	0.2
95.49450	0.3
96.96006	100.0
110.97604	0.3
147.08189	0.5
153.05580	0.4
156.83473	0.3
162.48550	0.3
191.07098	0.5
209.08133	0.3
214.30502	0.3
289.03918	35.7
305.92331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29057	0.7
59.01377	1.2
71.01373	8.5
72.99303	1.6
73.02941	9.2
75.54149	0.8
80.56235	0.9
80.70964	1.0
81.03480	0.8
83.05041	1.0
85.02960	1.4
93.03439	17.6
99.00864	3.5
99.04505	1.2
109.02927	1.4
111.04510	17.7
115.00364	28.4
123.04531	5.1
129.01895	1.1
133.01425	100.0
137.02454	8.1
143.03465	1.5
153.05620	3.1
155.03517	7.1
173.04547	80.8
184.97708	4.0
202.98761	3.2
228.09079	1.2
256.03879	1.5
259.06152	8.2
271.10950	3.4
289.07440	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29057	0.7
59.01377	1.2
71.01373	8.5
72.99303	1.6
73.02941	9.2
75.54149	0.8
80.56235	0.9
80.70964	1.0
81.03480	0.8
83.05041	1.0
85.02960	1.4
93.03439	17.6
99.00864	3.5
99.04505	1.2
109.02927	1.4
111.04510	17.7
115.00364	28.4
123.04531	5.1
129.01895	1.1
133.01425	100.0
137.02454	8.1
143.03465	1.5
153.05620	3.1
155.03517	7.1
173.04547	80.8
184.97708	4.0
202.98761	3.2
228.09079	1.2
256.03879	1.5
259.06152	8.2
271.10950	3.4
289.07440	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.86559	0.7
57.03441	1.1
58.30927	0.7
65.99016	0.7
71.01371	1.1
78.58954	1.0
79.51675	0.8
81.03448	4.3
83.01395	2.2
87.00901	1.0
95.05012	5.3
97.02948	9.1
108.38990	0.8
109.02944	30.0
115.00378	8.9
121.02950	3.6
123.04511	16.3
125.02440	19.2
133.01418	21.8
135.04506	1.8
137.02463	10.2
139.03995	6.1
149.02469	8.1
151.04004	13.9
160.05424	1.4
161.06076	7.5
162.03210	2.1
163.04089	1.3
163.82921	1.1
164.01157	2.2
165.01886	3.6
167.03453	1.5
175.03961	2.1
175.07677	1.1
179.03496	9.5
185.06052	1.2
187.04004	5.8
188.04773	7.2
202.06364	4.6
203.05399	1.5
203.07159	24.0
205.05054	11.9
221.08240	10.8
227.07149	1.9
241.48093	0.9
245.08195	25.7
247.06105	1.1
259.29596	1.0
289.07193	100.0
312.71317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	Corynether A
Peak:m/z	Relative Intensity
51.19166	1.4
57.03450	26.5
59.01381	8.4
62.11258	1.4
69.03461	3.1
69.08407	1.4
71.01377	2.1
74.07250	1.8
80.57259	1.8
85.02945	76.1
97.02901	2.1
111.00880	15.3
113.02447	29.5
131.05028	18.4
145.06607	2.1
147.08151	39.8
157.06625	14.2
159.08144	2.5
171.08136	2.6
173.06062	34.7
175.07642	10.0
185.06082	3.7
189.09218	54.6
189.10826	2.9
199.07674	2.8
201.09268	9.8
203.07137	3.8
217.08678	12.0
227.07138	7.7
234.22351	1.7
245.08197	100.0
247.57416	1.7
289.04004	3.9
289.07242	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	13.5
62.79355	1.4
65.74405	1.5
70.02979	10.1
70.10634	1.5
72.00888	2.0
72.04536	2.8
74.02476	60.1
75.65417	1.5
87.00871	7.5
98.02480	17.9
116.03581	13.5
116.05047	16.6
130.06647	2.4
134.03748	23.7
137.02454	13.9
139.11313	4.1
142.06624	3.8
159.09311	7.0
161.02444	11.7
165.12854	8.7
174.70499	2.0
178.02721	3.9
183.13902	32.1
185.11847	14.9
194.61433	1.5
201.05685	2.1
201.10239	1.9
201.11469	2.0
203.08298	75.4
209.11868	2.6
227.12973	11.7
245.09349	100.0
289.07205	20.9
289.13052	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0834
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
58.02982	13.5
62.79355	1.4
65.74405	1.5
70.02979	10.1
70.10634	1.5
72.00888	2.0
72.04536	2.8
74.02476	60.1
75.65417	1.5
87.00871	7.5
98.02480	17.9
116.03581	13.5
116.05047	16.6
130.06647	2.4
134.03748	23.7
137.02454	13.9
139.11313	4.1
142.06624	3.8
159.09311	7.0
161.02444	11.7
165.12854	8.7
174.70499	2.0
178.02721	3.9
183.13902	32.1
185.11847	14.9
194.61433	1.5
201.05685	2.1
201.10239	1.9
201.11469	2.0
203.08298	75.4
209.11868	2.6
227.12973	11.7
245.09349	100.0
289.07205	20.9
289.13052	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04821	0.7
59.01383	100.0
67.30160	0.8
68.43715	0.6
71.01389	0.7
73.02929	1.1
77.14759	0.6
79.21719	0.6
83.01389	18.9
97.02954	0.7
111.00841	0.8
111.80376	0.7
113.02438	11.8
118.75473	0.7
120.00045	0.6
125.02420	1.4
131.03513	3.6
174.89569	0.6
283.80313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1197
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
52.79126	1.2
54.03931	1.3
75.00875	2.0
84.84586	1.4
87.04492	1.9
107.09065	1.4
122.06079	2.8
134.06087	2.5
136.04106	3.1
147.05623	1.6
161.07124	1.9
184.07661	2.3
185.09834	3.5
199.08795	2.4
200.10857	3.5
212.05934	9.0
213.06711	6.6
215.08287	2.2
227.08301	33.5
228.08975	64.4
229.09746	3.0
242.59715	1.8
243.11365	8.5
256.08725	1.8
259.10864	2.4
271.10922	100.0
289.09125	2.6
289.11996	40.6
312.65945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1448
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
66.26155	1.0
79.51413	1.1
79.65186	1.2
79.93897	1.2
86.37490	1.2
99.08816	1.1
108.00783	1.0
119.08675	14.1
125.09754	1.1
132.05792	4.9
133.02962	7.5
134.03731	35.1
160.05293	8.1
217.16022	2.6
227.14500	1.5
243.13896	30.6
261.14966	29.0
261.80557	1.3
271.13416	23.5
289.14517	100.0
289.18085	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.166
Annotation	oscr#14
Peak:m/z	Relative Intensity
72.11339	0.7
91.03976	0.7
95.67912	0.6
97.02852	0.7
153.12860	39.2
197.11847	74.6
204.42746	0.7
215.12894	100.0
227.91924	0.6
255.54008	0.7
289.13370	1.5
289.16599	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54408	0.6
68.73447	0.6
91.50410	0.5
119.08627	0.8
153.01936	0.9
153.12849	41.7
171.13904	0.7
195.22256	0.7
196.82622	0.7
197.11845	60.7
215.12888	100.0
217.01334	1.1
261.00333	2.5
289.00101	2.0
289.16559	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.64499	1.1
59.01374	1.5
65.82146	1.2
70.42789	1.4
75.58997	1.3
97.26736	1.5
105.18701	1.3
106.04230	1.6
109.06562	8.4
122.13138	1.3
123.08141	1.6
141.13013	1.2
149.09721	1.9
167.10782	2.1
245.19104	7.0
259.66794	1.4
271.16852	1.6
287.16580	4.9
289.18124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01381	1.8
64.54733	0.8
108.05804	1.1
109.06601	1.8
111.08087	1.1
121.06696	0.7
123.08159	28.0
127.88409	0.8
146.07358	0.9
149.09731	7.2
170.96542	0.9
177.12926	0.9
245.19075	16.3
261.18539	1.2
271.16962	1.7
289.18127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94202	1.7
59.01376	8.0
71.05018	52.0
77.77697	1.3
78.00819	1.7
80.89774	1.4
83.05032	2.1
84.08463	1.4
97.06593	27.8
109.06519	1.7
123.08179	13.3
149.09775	2.0
180.09050	1.4
189.16594	2.5
208.77167	1.5
217.12440	3.1
233.15479	2.6
245.19109	16.3
271.17029	2.1
286.67169	1.7
289.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04240	2.0
59.01382	4.7
68.47715	1.9
71.05019	52.4
83.04999	2.5
97.06564	27.8
107.08638	2.6
119.08633	21.9
121.10271	2.0
123.08170	16.1
125.09704	2.9
149.09692	4.2
161.13330	2.6
166.74634	2.1
207.05731	2.2
217.12425	2.8
233.15422	3.6
245.19197	15.7
289.18118	100.0
293.13269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.64676	0.7
55.96749	0.8
58.58461	0.7
59.01373	3.5
64.21918	0.7
65.89751	0.8
85.16415	0.9
86.87799	0.8
104.74316	0.8
109.06580	1.0
117.62881	0.9
123.08159	31.4
143.01709	0.9
149.09724	9.1
184.37363	0.8
191.14487	1.6
209.91716	0.9
245.19153	14.8
289.18124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1813
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01382	2.3
61.32323	0.8
62.72054	0.9
71.05019	16.0
76.12699	0.9
89.40134	0.8
97.06582	9.6
109.06551	1.5
123.08131	1.8
233.15382	1.0
245.19138	3.8
289.18124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03452	0.7
68.43414	0.6
91.41674	0.6
95.62802	0.7
106.92393	0.7
117.70523	0.7
119.08652	24.2
120.16060	0.6
123.08128	1.0
125.09695	5.9
126.25737	0.9
140.46986	0.6
141.12863	0.7
149.09526	0.7
151.93338	0.6
161.64886	0.7
185.11884	1.1
191.14415	0.9
245.19081	3.6
289.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64854	0.8
57.03448	1.0
88.22035	0.9
97.06577	2.0
118.62640	1.0
119.08658	20.3
123.08125	1.6
125.09711	5.4
133.94629	1.0
185.11949	1.2
245.19119	1.6
289.18130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2175
Annotation	19-Noranticopalic acid
Peak:m/z	Relative Intensity
54.67382	1.0
65.68192	1.2
74.23503	1.1
74.51729	1.1
76.26949	1.4
80.11515	1.1
83.87010	1.1
110.46680	1.2
135.91032	1.3
245.22742	100.0
289.21774	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2178
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.63622	1.2
58.00602	1.9
59.67846	1.4
73.02940	1.8
75.08195	1.6
84.02164	28.2
85.02925	3.2
101.34066	1.5
103.31089	1.4
110.14213	1.4
111.23083	1.3
118.58604	1.4
140.48994	1.6
153.12831	1.9
165.11659	1.6
259.20523	1.7
261.22192	2.3
271.20676	8.1
289.18198	7.2
289.21753	100.0
302.84073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20600	0.3
59.70344	0.3
81.63327	0.3
84.04546	1.5
93.79211	0.4
101.02438	2.2
128.03535	100.0
154.05083	0.6
168.06680	1.9
170.04605	6.4
182.04654	0.4
192.05978	4.7
200.05667	34.8
212.05687	1.8
222.15118	0.4
230.06726	1.9
236.05696	0.5
254.06709	1.5
272.07904	1.4
281.94189	0.4
290.08841	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06415	0.4
54.87294	0.4
71.01382	0.6
76.65656	0.5
80.32645	0.5
84.04523	0.7
87.76165	0.4
101.02443	2.4
108.09734	0.5
128.03534	100.0
141.00757	0.5
143.38063	0.5
154.05089	0.8
167.16940	0.5
168.02942	0.5
168.06662	2.0
170.04579	5.3
192.06079	0.5
200.05655	31.5
212.05623	0.9
213.80186	0.5
230.06749	2.4
254.06697	1.0
272.07703	2.0
290.08868	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0884
Annotation	Sarmentosin epoxide
Peak:m/z	Relative Intensity
59.60908	0.4
70.02952	0.5
71.01389	0.5
73.41520	0.4
79.39458	0.4
80.81419	0.4
84.04571	0.6
84.62635	0.4
90.55701	0.5
101.02431	2.2
125.02392	0.6
126.05621	0.7
128.03532	100.0
154.05064	1.6
168.06679	1.7
170.04579	5.6
182.04585	0.7
192.05954	9.6
200.05661	30.8
200.85532	0.5
212.05714	1.0
230.06758	2.1
254.06706	1.0
272.07697	1.0
290.08823	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06881	0.5
54.58618	0.4
66.90260	0.5
96.96968	0.6
99.76920	0.5
101.02443	2.1
108.45615	0.6
122.61152	0.5
126.05583	0.6
128.03535	100.0
130.41875	0.6
149.66457	0.6
154.05098	0.9
168.06702	0.9
170.04570	5.0
192.05977	4.2
200.05661	29.7
212.05605	1.9
228.97032	0.5
230.06737	2.8
272.07828	1.1
290.08893	9.0
293.04111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86117	0.9
102.32314	1.0
112.70715	1.1
118.01454	100.0
158.79926	1.0
171.10272	5.0
181.12364	1.5
199.13393	10.7
225.11290	2.1
243.12302	5.0
290.10315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73150	1.4
72.05772	1.3
74.49603	1.4
82.38757	1.4
83.70426	1.3
88.18441	1.5
108.04709	1.7
118.01463	100.0
120.45251	1.8
171.10359	2.6
188.89967	1.8
199.13434	11.7
243.12447	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2125
Annotation	senecionan
Peak:m/z	Relative Intensity
57.51770	0.8
58.02966	6.2
69.66876	1.0
110.06012	1.5
149.09708	2.2
150.92574	1.2
159.69522	1.1
176.12099	2.3
177.12831	2.0
179.14449	17.0
193.11031	1.9
196.43419	1.0
208.13506	2.5
219.17586	1.8
230.79128	1.1
247.20631	5.6
272.20218	1.4
290.21274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.213
Annotation	senecionan
Peak:m/z	Relative Intensity
56.58926	0.7
58.02980	9.6
73.07085	0.8
89.66973	0.7
116.39774	0.7
119.05023	1.1
127.75150	1.0
149.09676	3.5
175.11267	1.1
176.11987	1.8
177.12889	1.1
179.14439	13.1
190.12451	0.9
191.14577	1.0
193.11034	2.0
193.15993	0.9
208.13411	4.2
219.17546	1.1
231.17368	1.2
246.19481	1.6
247.20616	4.8
265.50943	0.8
272.20303	1.0
290.18445	7.1
290.21274	100.0
312.71573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75078	0.7
57.03435	1.3
57.76493	0.7
73.28703	0.8
96.00913	1.5
107.08650	11.4
120.96745	0.7
120.99632	5.7
126.54666	0.8
133.02933	1.1
136.04091	1.6
145.02965	1.8
147.03262	4.7
148.04016	1.2
161.02547	1.0
169.08704	3.1
173.02470	6.1
188.03534	90.6
203.07489	5.9
216.03021	100.0
231.04225	1.7
259.03604	69.0
291.06186	6.1
291.09076	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.6
62.51178	0.7
63.78641	0.8
67.01887	3.2
71.01373	22.5
74.77630	0.9
85.02947	9.0
89.02438	34.3
90.81567	0.8
92.23140	0.8
95.01374	1.2
101.02425	10.0
103.56381	0.8
111.00875	100.0
113.02435	9.5
116.47998	0.7
119.03493	11.7
129.01935	4.1
129.03877	1.7
143.03398	1.0
161.04559	3.3
174.13144	0.9
179.05606	11.3
231.05072	1.0
299.26590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	3.4
86.02480	3.6
88.04034	23.2
90.51769	1.8
109.14484	1.6
114.63971	1.7
132.03046	2.8
143.08247	2.6
145.09853	3.8
154.02669	1.7
157.09819	23.0
159.11374	25.0
171.07733	3.7
185.09258	3.0
187.07234	3.2
189.08702	1.9
201.08830	6.4
203.10399	1.8
215.06802	7.0
247.09264	2.1
273.07266	19.3
291.08383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0837
Annotation	EDTA
Peak:m/z	Relative Intensity
54.04787	1.0
59.77909	1.3
69.41556	1.0
72.65925	1.2
75.00848	1.6
80.70010	1.3
86.02473	2.1
88.04029	23.9
91.44520	1.2
92.23051	1.7
114.05540	2.6
129.06725	1.4
132.03020	2.6
143.08221	5.1
145.09886	2.4
157.09837	20.6
159.11383	26.6
163.32669	1.2
163.63036	1.3
171.07732	5.7
184.04875	1.3
185.09267	2.1
187.07240	6.0
189.08813	1.4
201.08881	8.5
203.10466	1.4
215.06810	5.3
229.08165	1.2
247.02525	14.0
247.09416	3.1
255.52940	1.6
273.07288	19.5
291.08386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Dihydromikanolide
Peak:m/z	Relative Intensity
67.10605	1.4
67.83158	1.4
68.57517	1.6
75.77347	1.3
76.00433	1.4
77.01514	1.3
77.65462	1.5
127.36193	1.4
133.02985	2.0
134.03741	67.1
137.02443	7.8
149.06091	34.1
160.01692	1.6
175.03990	3.2
178.02727	66.1
181.02931	1.8
193.05070	100.0
200.31305	1.7
232.07397	14.1
247.09758	14.1
276.06427	10.2
291.05557	2.2
291.08804	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88021	0.6
62.10722	0.7
63.25944	0.5
65.63924	0.6
67.17263	0.7
133.02930	3.3
134.03740	49.5
137.02438	5.2
139.04036	1.2
149.06071	28.2
160.01692	2.6
162.18904	0.8
175.04074	2.5
177.01982	0.8
178.02718	56.5
180.66777	0.7
193.05069	100.0
276.06302	5.2
291.05499	1.2
291.08780	35.8
296.30905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
51.21697	0.6
65.51077	0.6
71.73909	0.6
79.34791	0.6
79.83875	0.6
85.02946	3.0
97.02972	0.7
105.47903	0.7
107.58413	0.6
111.04503	1.7
117.03436	3.4
123.04533	0.8
134.03737	86.7
135.04587	0.7
136.01631	1.6
141.34108	0.8
143.08566	0.7
147.04539	2.6
149.06081	59.6
151.03984	9.1
160.05299	1.1
174.06813	3.9
187.07692	1.1
188.08484	5.4
189.09195	1.0
193.05070	22.7
201.05627	1.6
201.75352	0.7
202.06473	6.2
214.06430	0.8
217.08667	3.8
232.07382	16.8
247.09836	5.8
250.36800	0.7
264.81699	0.8
291.08774	100.0
311.06818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34357	0.6
54.52009	0.5
67.59214	0.6
89.27132	0.7
121.02966	1.2
133.02922	3.6
134.03735	55.5
137.02449	5.9
149.04860	1.0
149.06075	30.4
160.01582	1.5
175.03952	1.3
177.01891	1.2
178.02715	63.4
193.05063	100.0
203.10742	1.0
247.09625	1.1
253.47375	0.8
276.06436	5.2
291.05493	1.5
291.08777	41.9
300.68399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61972	1.1
56.84095	1.3
57.03448	9.4
59.01385	14.2
61.95426	1.5
63.14526	1.3
71.01373	6.6
73.02945	9.1
85.02896	1.8
87.00888	2.8
107.08669	98.3
115.00377	22.5
120.99649	52.7
129.25452	1.6
133.01436	42.4
141.07440	12.0
155.10793	7.4
159.04866	5.8
159.08488	6.9
169.08720	27.6
171.10332	5.6
175.06192	2.0
203.07495	41.6
210.53438	1.5
217.10788	2.9
291.09149	100.0
291.14590	8.0
291.19498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16458	0.9
61.20776	1.1
72.89822	1.0
79.95738	79.5
80.38598	1.0
80.96510	10.9
88.07591	1.1
96.96000	6.5
134.03745	1.7
149.05965	1.3
183.13882	6.3
188.95030	1.3
193.05040	1.9
193.12321	2.5
203.10828	1.6
211.13416	75.2
247.63235	1.3
249.84607	1.3
291.09119	100.0
291.19632	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1355
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
58.02969	30.0
62.44190	1.8
62.92719	1.6
67.52226	1.9
70.75370	1.8
71.01380	2.4
75.00868	3.8
80.96516	3.9
84.04535	3.1
86.43583	1.9
91.05540	3.8
94.18785	1.8
98.88565	1.9
101.07214	8.8
103.03962	2.2
109.04071	2.6
115.00380	2.5
123.04520	2.8
125.07198	47.4
126.05598	3.7
127.05130	50.4
128.03555	3.6
133.01421	11.1
133.05046	2.9
143.08260	25.2
175.04013	3.6
175.09724	19.6
203.03516	2.5
205.13344	3.9
231.11438	30.4
232.03882	2.4
247.06229	3.2
249.12457	29.6
291.01859	2.8
291.05573	3.5
291.09018	13.4
291.13522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1818
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.95617	2.8
55.01882	6.0
57.03454	7.4
58.03557	3.2
59.01388	81.2
59.01682	4.3
65.17239	3.3
68.00945	3.1
71.01381	69.7
73.02934	26.7
74.35646	2.8
83.01382	30.3
85.02949	49.4
87.00849	3.8
89.02454	6.3
95.01387	6.5
99.00880	13.2
101.02453	100.0
111.00871	3.2
113.02444	31.1
115.03976	4.9
121.72243	3.7
129.11349	3.5
134.03761	26.4
137.75610	3.1
148.70842	3.5
159.60262	3.5
161.04550	33.9
175.40335	3.8
193.05080	17.5
276.02560	10.7
291.18387	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
64.54581	0.7
83.45215	0.7
88.79736	0.8
115.26521	0.8
148.08942	1.7
151.11304	1.1
165.12857	20.5
176.11957	0.9
203.30113	0.8
207.98802	0.9
247.20659	13.9
273.18613	9.0
291.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29689	0.6
65.93737	0.6
66.97150	0.6
83.05019	14.5
87.92233	0.7
93.03441	0.7
116.21943	0.8
134.07990	0.8
144.34023	0.7
153.52423	0.6
193.58125	0.7
195.13922	5.4
205.16000	1.7
206.98123	0.8
207.13882	3.0
223.17049	13.9
247.20665	1.2
273.18518	1.5
291.19705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.00095	0.7
62.56340	0.7
62.99876	0.7
77.88194	0.8
78.44424	0.8
85.13704	0.7
91.49149	0.9
148.08990	0.9
150.10507	1.0
163.11223	1.1
165.12825	23.4
170.28262	0.8
174.42534	0.9
217.15987	0.9
247.20682	15.4
273.18585	5.3
291.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20136	0.6
50.67353	0.8
53.98310	0.7
59.01384	3.4
64.03853	0.7
71.04647	1.4
71.05019	29.8
71.05410	1.1
81.89990	0.7
83.19233	0.7
84.73408	0.7
96.63468	0.7
97.06581	10.8
108.80282	0.7
126.73180	0.8
131.96033	0.7
133.06567	1.1
155.46191	0.7
162.09027	0.7
181.12384	1.7
191.18068	0.9
207.13910	4.3
219.13873	3.2
219.17561	0.9
235.17059	7.4
247.20659	1.6
264.05374	0.8
283.73419	1.0
291.19705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67342	0.8
57.03176	0.8
58.95163	0.7
61.44551	0.8
95.05025	0.8
113.27188	0.8
121.10220	19.0
125.09698	7.2
125.54278	0.8
141.12944	1.0
185.11836	15.7
197.11836	4.5
247.13419	0.9
291.19699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2333
Annotation	Grevillol
Peak:m/z	Relative Intensity
54.53825	0.6
92.32326	0.6
291.19733	7.1
291.23318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2332
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
59.97337	1.7
70.33688	1.7
192.49521	1.8
219.21167	11.7
247.24333	94.5
261.22119	2.2
291.23331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
60.99311	0.6
61.33587	0.6
67.01888	2.5
71.01376	8.6
73.02935	1.1
87.00861	1.2
93.03458	21.3
95.23839	0.6
101.02435	7.5
110.09745	0.8
111.04533	4.5
118.01453	10.2
130.08736	77.0
137.02435	2.8
154.19417	0.6
155.03471	5.0
172.09785	1.2
173.04553	100.0
191.05635	5.6
202.10936	4.6
245.04187	0.9
245.06674	20.8
292.06754	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90576	2.9
55.65045	2.8
57.14667	3.3
57.20642	3.1
59.34587	3.0
69.48347	4.0
78.72326	3.6
80.71304	3.0
93.03439	18.1
102.05631	5.5
107.13770	3.9
116.05579	3.6
118.01465	100.0
130.08746	7.1
144.18085	3.6
162.81053	3.9
173.04539	36.3
191.05669	21.7
191.43864	4.3
197.27998	3.7
245.06699	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.4
75.00867	5.8
75.94389	0.9
81.83557	0.9
82.02981	20.9
84.04543	62.6
85.02946	25.9
91.05531	4.2
94.46029	1.2
100.04047	56.8
101.02421	1.0
117.22635	1.2
128.03523	28.5
129.01944	4.9
160.07692	2.2
188.10806	4.3
204.10353	10.7
220.06218	1.1
230.08018	1.1
232.09796	100.0
250.10860	80.8
292.08838	1.6
292.12103	13.2
292.18542	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1405
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
60.52651	0.3
73.02938	0.8
84.78223	0.3
88.28078	0.3
93.71839	0.3
101.02431	6.8
110.09758	1.4
113.96237	0.3
115.07636	1.5
126.75468	0.3
127.62046	0.3
130.08733	100.0
172.09723	3.2
192.05974	1.6
194.06390	3.8
196.28859	0.4
202.10840	8.9
214.10893	0.5
248.93831	0.3
254.15172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88286	0.6
57.03436	1.1
85.02943	16.8
95.91199	0.6
101.02427	13.7
103.04005	6.7
106.22777	0.5
119.05016	19.6
129.01933	100.0
131.04608	2.7
134.03604	0.8
145.02924	0.8
147.02988	84.6
163.04008	29.9
271.92215	0.6
289.55075	0.8
293.06754	1.4
293.10223	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46424	0.9
54.75673	0.8
57.03439	0.9
60.48349	0.9
66.98943	0.9
85.02945	39.4
101.02441	25.4
103.03970	1.6
105.89922	1.0
112.18484	1.0
115.95238	1.0
117.51939	1.0
119.04328	1.1
119.05012	60.8
129.01938	100.0
131.04654	1.3
147.02997	19.6
163.04013	86.6
177.98108	1.0
196.12029	1.3
240.16998	1.2
254.16570	1.2
269.31732	1.0
279.81195	1.0
293.06790	1.4
293.21237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08756	0.6
56.33031	0.6
56.33336	0.6
57.03448	1.9
65.67222	0.7
72.55640	0.8
74.58862	0.6
85.02947	14.4
92.16594	0.8
92.23154	0.9
101.02452	14.9
103.04024	6.4
114.61356	0.9
115.77451	0.9
119.05026	20.1
129.01941	100.0
133.02957	1.1
145.02997	0.8
147.03001	86.7
151.20430	0.7
160.01657	1.6
163.04019	31.1
175.03957	6.1
269.41962	0.9
293.07129	1.6
293.10327	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
54.79990	1.5
57.03444	2.1
59.01377	12.3
60.46401	1.5
71.01373	24.7
75.00874	21.0
75.13091	1.8
85.02941	15.9
87.00855	7.0
89.02425	2.2
97.02950	22.9
99.00870	36.2
100.11595	1.7
106.97637	1.8
111.00845	2.9
113.02465	3.6
115.04000	77.0
129.01926	31.6
131.03496	3.3
136.31764	2.0
139.56487	1.8
159.02924	3.9
177.04047	36.3
195.05043	8.0
293.08804	100.0
306.38708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
52.80269	1.4
55.11820	1.5
57.03444	9.0
59.01384	11.9
71.01388	22.1
72.99297	1.8
73.58460	1.7
75.00878	28.9
78.55215	1.9
79.72256	1.6
81.50548	1.6
85.02946	14.7
87.00860	7.2
89.02434	3.7
92.23064	2.2
95.39629	1.8
97.02942	25.0
99.00870	34.8
101.02435	1.6
113.06227	1.9
115.04010	75.8
129.01926	38.1
131.03482	3.0
131.04594	2.5
153.80798	1.6
159.02930	2.4
177.04045	38.6
178.95349	1.8
195.05104	11.2
275.20416	2.5
293.05667	3.8
293.08835	100.0
293.21307	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01385	11.6
71.01373	22.1
72.99257	1.9
75.00866	28.9
85.02932	13.2
87.00856	8.4
89.02427	5.7
97.02931	20.3
97.06466	1.5
99.00867	29.2
101.02431	1.8
105.43178	1.4
115.03229	3.0
115.03997	78.9
128.03534	5.5
129.01929	32.0
131.03578	2.4
131.04654	2.3
131.07124	3.5
141.10107	1.5
154.14464	1.5
159.02985	7.5
164.29045	1.3
177.04037	36.6
191.65898	1.5
195.05092	10.3
293.08807	100.0
293.12000	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66458	0.9
52.70105	1.2
57.03445	5.4
59.01382	38.4
59.18419	1.2
61.64236	1.2
69.03447	1.8
71.01380	32.8
72.99310	2.7
75.00872	22.4
85.02941	13.5
85.06594	10.2
87.00867	6.1
89.02442	20.5
97.02942	17.0
99.00877	29.9
101.02448	13.8
113.02438	8.7
113.06051	3.0
115.04000	62.7
119.03500	7.8
129.01945	28.1
131.03490	2.9
131.07137	62.8
131.46260	1.3
159.02962	2.7
176.36867	1.5
177.04044	30.5
195.05067	4.4
200.32388	1.3
228.20970	1.4
260.73938	1.4
272.86426	1.3
293.08826	83.3
293.12454	100.0
307.66159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
57.03439	5.8
57.40717	1.1
59.01370	10.4
71.01375	23.7
71.05007	1.4
75.00861	32.3
75.29430	1.2
85.02945	17.4
87.00863	8.9
89.02430	5.7
97.02934	21.4
99.00875	42.6
99.78764	1.4
101.02415	2.2
111.00883	2.3
113.02473	1.5
113.03536	1.9
115.03995	85.1
115.11752	1.3
129.01938	40.1
131.03482	2.0
131.04576	2.7
132.75070	1.5
141.01955	1.6
159.02960	2.7
177.04010	37.7
195.05109	11.6
203.35817	1.4
293.08804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
50.66458	0.9
52.70105	1.2
57.03445	5.4
59.01382	38.4
59.18419	1.2
61.64236	1.2
69.03447	1.8
71.01380	32.8
72.99310	2.7
75.00872	22.4
85.02941	13.5
85.06594	10.2
87.00867	6.1
89.02442	20.5
97.02942	17.0
99.00877	29.9
101.02448	13.8
113.02438	8.7
113.06051	3.0
115.04000	62.7
119.03500	7.8
129.01945	28.1
131.03490	2.9
131.07137	62.8
131.46260	1.3
159.02962	2.7
176.36867	1.5
177.04044	30.5
195.05067	4.4
200.32388	1.3
228.20970	1.4
260.73938	1.4
272.86426	1.3
293.08826	83.3
293.12454	100.0
307.66159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
50.42368	1.3
53.40823	1.6
57.03454	3.0
59.01379	7.7
71.01378	24.6
71.05019	1.4
75.00863	33.2
75.62608	1.4
85.02958	10.8
87.00866	7.4
89.02428	6.8
92.22522	3.5
97.02943	19.1
99.00879	33.8
101.02397	1.6
111.00846	1.6
115.03999	92.9
116.48695	1.6
129.01939	33.5
131.03535	3.2
147.92838	1.5
159.02991	2.3
177.04045	38.6
184.67580	1.4
195.05168	9.5
208.58057	1.6
272.30457	1.7
293.08850	100.0
293.21408	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11111	0.6
54.33096	0.6
59.03506	0.6
62.45454	0.8
65.20187	0.8
70.02978	1.6
72.00901	1.2
73.02951	1.2
78.53963	0.6
95.02505	3.1
98.02479	1.0
100.55312	0.7
101.02442	11.5
111.01985	0.7
111.04502	0.9
113.03572	31.1
114.01962	13.8
116.03532	0.9
131.04622	100.0
146.84813	0.8
149.04665	1.2
163.83575	0.8
173.05717	3.8
192.05984	1.7
203.06767	20.3
247.81030	0.9
293.09760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0993
Annotation	N-Glycosyl-L-asparagine
Peak:m/z	Relative Intensity
70.02971	1.2
71.02505	0.8
76.18737	0.5
76.23019	0.5
90.69505	0.6
95.02513	2.9
98.02463	2.2
101.02438	10.4
111.01988	2.2
113.03568	28.5
114.01964	14.1
131.04620	100.0
141.47633	0.6
155.04581	0.9
156.38310	0.6
173.05714	5.3
185.05664	1.1
203.06746	19.1
213.08868	0.7
245.07692	0.9
293.10016	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1035
Annotation	Angelitriol
Peak:m/z	Relative Intensity
53.73385	0.8
54.73314	0.9
61.06297	0.9
67.81020	0.9
74.60435	0.9
79.52294	0.9
79.99917	0.9
80.96503	1.0
81.03470	1.7
87.02887	0.9
117.05560	1.5
119.05022	8.7
121.02963	1.1
132.02150	2.4
133.02951	19.9
134.03709	10.5
135.04503	2.1
136.01678	10.5
137.02423	5.1
147.04546	14.2
148.05316	26.3
149.06065	6.2
151.03995	1.1
153.05551	9.3
160.01659	43.1
163.03995	1.0
175.04016	76.7
177.01944	11.2
183.53784	1.1
192.04305	23.6
193.05072	7.2
204.07912	2.1
234.08922	8.6
249.11313	7.9
278.08041	5.2
293.10342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1036
Annotation	Angelitriol
Peak:m/z	Relative Intensity
58.33255	1.4
81.03441	6.4
82.71964	1.3
94.43202	1.3
99.04446	1.4
105.03479	1.8
131.04601	3.0
132.02156	2.4
133.02957	24.5
134.03738	52.6
148.05316	19.9
149.06065	27.3
153.05568	1.9
160.01665	53.4
160.02975	3.1
162.03221	1.8
175.04002	94.0
177.01923	17.8
179.03499	2.7
180.80579	1.4
192.04251	2.7
193.05046	32.6
275.20035	1.9
278.08032	23.9
293.07227	4.4
293.10330	100.0
293.21234	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1146
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
51.07946	0.8
51.49744	0.8
54.21222	0.8
59.01379	9.1
71.01376	4.2
72.00897	4.4
72.21669	0.9
74.02473	2.2
78.78854	1.2
89.02449	5.2
91.05510	4.8
99.05602	1.3
100.56455	1.0
101.02449	4.3
109.04055	5.8
111.05645	0.9
112.04048	0.9
113.02432	1.5
113.06055	7.9
119.03507	1.8
122.04819	1.1
126.99483	1.0
127.05123	24.6
128.03532	100.0
131.04636	1.0
131.07100	6.1
147.04526	19.9
164.07179	62.8
213.10362	4.4
257.09247	11.0
275.10397	21.5
293.12170	29.5
293.21271	5.2
297.31772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.2
71.01370	12.5
71.63358	2.0
71.72697	1.9
85.06579	4.6
89.02461	19.6
101.02441	12.4
107.69514	2.3
113.02444	11.1
113.06049	8.1
119.03443	4.4
119.19342	2.0
130.96846	2.3
131.06226	3.3
131.07135	52.8
136.85321	1.9
173.08154	2.8
213.24776	2.1
242.25713	2.2
293.12436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60503	0.9
57.03446	1.9
59.01379	47.2
61.05638	0.7
62.43920	0.6
63.46038	0.7
66.31544	0.6
70.98509	0.7
71.01376	26.0
71.04991	0.7
71.98639	0.8
72.99303	1.5
73.02943	3.0
75.00871	8.0
83.01386	1.7
85.02946	8.6
87.00853	4.0
89.02432	21.9
92.22590	1.2
95.01382	1.0
97.02944	5.8
99.00880	15.1
101.02441	18.7
111.00877	0.7
113.02437	11.0
113.06080	7.8
115.03991	26.1
119.03487	7.4
119.04967	0.9
121.52149	0.7
126.01936	2.8
129.01950	13.1
131.03560	1.5
131.04616	5.2
131.07129	10.9
131.42879	0.7
133.02873	0.9
159.03120	1.2
168.03157	0.8
175.17291	0.8
177.04045	13.4
186.04051	3.6
186.48875	0.9
195.05164	1.4
204.36534	0.8
293.08832	34.7
293.12427	100.0
293.21313	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50541	0.4
59.01381	27.5
62.31559	0.4
71.01377	13.4
73.02927	0.7
83.01385	0.6
85.02951	1.0
85.06581	6.6
87.00880	0.6
87.34213	0.5
89.02440	18.5
101.02444	14.1
111.00848	0.5
113.02436	8.8
113.06094	3.6
115.07637	2.0
119.03486	8.0
123.59171	0.4
125.61544	0.5
127.07664	2.1
127.78694	0.4
131.07133	60.1
143.03572	0.6
159.14516	0.5
173.08232	2.2
177.68605	0.4
247.36981	0.5
293.12451	100.0
307.76816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28793	0.6
59.01101	1.3
59.01382	29.6
59.48958	0.7
69.95784	0.9
70.05559	0.9
71.01371	12.8
73.02944	0.9
79.88416	0.8
79.97088	0.7
83.01406	1.5
85.02943	1.2
85.06602	7.1
87.00870	0.8
89.02439	24.2
100.00382	0.9
100.38322	0.7
101.02449	11.5
106.10539	0.8
113.02463	7.4
113.06081	4.9
119.03479	7.9
127.07631	1.1
131.06136	1.9
131.07133	59.1
196.87634	0.8
228.98119	0.8
293.06912	4.1
293.12460	100.0
293.21329	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81185	0.9
54.86451	1.0
58.32613	0.9
58.54358	1.2
59.01384	31.2
71.01375	14.5
81.04147	1.1
85.02958	1.4
85.06571	8.8
89.02446	19.6
101.02463	11.4
113.02428	4.8
113.06075	4.7
119.03495	7.8
127.07638	2.2
131.07140	63.8
149.54263	1.3
188.27982	1.2
293.12466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97829	0.4
59.01380	29.6
64.40775	0.5
65.68334	0.5
66.93415	0.4
70.86086	0.5
70.93517	0.4
71.01376	11.4
73.02946	0.8
73.80975	0.5
81.26955	0.5
83.01388	0.9
85.02928	2.2
85.06582	8.5
87.00845	0.6
89.02435	19.2
94.16412	0.6
101.02438	14.2
113.02430	7.3
113.06052	2.8
115.07653	2.0
119.03498	8.3
127.07677	0.9
131.07132	63.1
132.80533	0.5
165.13448	0.5
173.08208	1.3
177.17976	0.6
177.57243	0.6
251.14273	0.6
293.12451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80675	0.6
59.01100	1.2
59.01381	28.7
65.87516	0.6
68.74279	0.7
68.94056	0.6
71.01369	13.5
73.02964	0.8
76.59002	0.6
77.32819	0.6
78.31583	0.6
78.32505	0.8
85.02960	3.0
85.06584	8.6
89.02435	22.8
92.23055	1.5
95.67336	0.7
101.02440	16.6
113.02438	8.3
113.06068	3.8
115.07623	2.8
119.03495	9.5
127.07665	1.3
131.07129	64.4
173.08173	1.0
190.94485	0.8
200.13574	0.7
293.12451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92943	1.1
54.06950	1.1
57.75591	0.9
59.01382	86.8
71.01377	38.4
72.99335	1.2
75.00884	1.4
76.84738	1.2
80.31245	1.1
81.24028	1.0
83.01403	2.2
85.02927	10.0
89.02441	59.9
95.01370	1.9
97.02940	1.4
101.02444	32.4
113.02422	18.2
113.06081	2.7
115.04046	9.4
119.03480	21.0
129.01912	1.4
131.03613	1.5
131.04642	6.9
131.07143	1.9
139.03934	1.3
154.01859	1.3
157.05058	1.8
173.04565	6.9
177.04143	1.2
195.05066	1.5
275.20206	1.5
293.08969	8.9
293.12445	100.0
293.21268	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39147	0.6
57.03446	1.0
59.01381	32.0
63.78546	0.7
71.01374	18.9
72.58476	0.7
72.99300	0.8
75.00864	7.8
77.19297	0.6
83.01390	1.3
85.02947	6.3
85.06566	7.6
87.00858	3.4
88.70544	0.7
89.02440	20.9
95.01358	1.1
97.02943	5.8
99.00886	12.1
101.02437	14.4
113.02437	7.0
113.06090	3.3
115.04000	22.0
115.07644	1.4
119.03494	7.5
121.00780	0.6
127.07699	1.4
128.03571	1.0
129.01930	9.5
131.03444	0.8
131.07138	60.9
159.02969	1.2
164.07188	0.8
173.08115	1.3
177.04034	11.3
195.05139	2.9
216.67105	0.8
293.08850	28.1
293.12442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13831	0.7
57.80300	0.7
59.01102	1.7
59.01385	29.5
61.20881	0.9
62.87617	0.7
71.01379	13.0
73.02957	1.3
83.01373	0.9
85.02941	1.3
85.06586	9.1
85.87020	1.0
89.02437	17.8
90.10432	1.0
101.02440	13.2
113.02449	7.6
113.06087	4.2
119.03503	7.3
123.88284	0.8
127.07597	1.5
128.03525	1.4
131.07140	66.1
148.04079	0.8
164.07239	1.7
173.08168	1.1
293.12466	100.0
313.64148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66901	0.4
54.30101	0.4
55.20718	0.4
59.01379	31.8
61.78059	0.4
68.35982	0.4
71.01374	14.5
72.99294	0.6
83.01381	0.6
84.06744	0.5
85.02933	3.4
85.06588	9.1
87.00862	0.9
89.02436	18.3
101.02441	15.7
113.02435	7.9
113.03542	2.4
113.06080	2.6
114.01956	0.6
115.07595	1.7
119.03471	8.4
127.07624	2.0
131.04617	9.2
131.07130	64.1
143.03552	0.6
150.33127	0.4
173.08154	1.1
183.14279	0.4
203.06757	0.5
276.60461	0.5
293.12451	100.0
293.21335	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1399
Annotation	Oidiolactone F
Peak:m/z	Relative Intensity
58.58055	1.6
59.01382	1.8
59.18710	1.3
59.79229	1.3
67.10120	1.3
79.05526	10.9
79.79070	1.3
83.05006	1.9
96.66312	1.7
97.06577	2.5
106.04279	3.2
106.55580	1.4
109.06467	1.4
113.87144	1.8
121.06598	1.9
121.10241	1.6
123.04504	10.4
123.08176	6.2
125.09704	9.5
127.11265	3.7
141.31659	1.5
148.37589	1.6
167.10808	2.1
171.10258	6.9
177.12794	1.6
183.13919	2.8
189.78114	1.5
195.13918	2.8
205.15913	6.2
211.13449	2.3
218.01735	1.8
231.13800	5.2
247.13409	6.4
249.14969	100.0
275.13306	1.8
275.16599	10.5
275.19861	10.9
293.13989	79.9
293.17587	35.5
293.21243	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
55.55531	1.2
56.04262	1.1
57.03470	1.3
59.01376	1.6
60.84894	1.4
68.58629	1.2
71.04996	1.3
79.05518	9.6
79.05917	1.5
97.06586	1.7
103.37730	1.4
106.04266	2.4
107.72717	1.5
109.06607	1.6
123.04483	5.9
123.08180	3.0
125.09699	7.9
126.10786	1.4
127.11311	2.1
167.24167	1.6
171.10246	7.1
183.13873	3.0
189.12723	1.7
199.52214	1.5
203.14455	1.7
205.16051	3.4
231.13869	3.4
235.17117	2.4
247.13434	8.2
249.14981	100.0
275.12769	1.6
275.16266	1.8
275.20172	6.5
293.05817	2.3
293.13983	60.7
293.17566	13.7
293.21191	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1763
Annotation	Embelin
Peak:m/z	Relative Intensity
56.44519	0.7
57.82908	0.7
62.72458	0.7
79.33852	0.7
87.86871	0.7
99.72186	0.7
100.24456	0.9
113.09697	3.0
121.02953	0.9
122.03738	1.5
184.59113	0.9
231.17505	1.6
249.18628	19.0
275.16559	30.2
283.98584	0.7
293.17609	100.0
293.21201	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1763
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
57.74308	0.5
59.01376	1.2
80.25250	0.7
86.57867	0.7
121.02952	1.3
122.03753	4.1
123.28393	0.7
136.05357	0.8
155.10860	0.9
183.10245	8.1
218.75203	0.7
223.16989	0.9
231.17767	0.9
233.15457	1.4
235.17047	17.8
236.80408	0.8
249.16293	1.3
249.18639	27.8
275.16547	30.2
275.20160	22.1
293.17606	100.0
293.21201	30.3
306.05484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1765
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.78630	0.3
56.27549	0.3
58.70006	0.3
59.01382	1.5
60.57594	0.4
94.02769	0.4
97.06578	0.5
109.06606	0.5
113.09699	0.7
121.02950	0.7
121.10249	1.7
122.02924	0.3
122.03706	3.2
125.09718	4.7
136.05305	1.8
139.11317	0.6
139.99710	0.4
141.12895	0.6
149.09720	1.6
151.11382	0.5
164.08463	0.5
167.14415	0.5
171.10266	0.9
173.70168	0.5
177.19992	0.4
181.59874	0.4
183.13892	1.8
185.11832	7.0
195.13931	0.5
197.11832	2.0
205.69424	0.4
211.13490	0.5
212.18019	0.5
231.17598	3.0
233.15541	1.6
235.17105	0.4
246.22298	0.4
247.17191	0.4
249.18616	23.6
249.22351	0.8
275.16574	25.8
275.20114	4.4
293.17627	100.0
293.21255	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00419	0.5
60.16688	0.4
64.76018	0.6
68.18551	0.6
71.88515	0.6
89.46617	0.5
96.96006	70.4
98.78323	0.5
157.96332	0.6
214.60320	0.6
275.20279	0.8
293.17981	100.0
293.20862	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40430	0.4
60.02273	0.5
89.58360	0.5
96.96003	71.8
141.09261	2.1
151.35281	0.6
162.08665	0.4
190.90645	0.5
208.01297	0.5
275.20267	1.9
293.18011	100.0
293.21219	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99830	0.8
57.51185	0.7
57.56630	0.8
59.01371	0.8
64.72433	0.7
96.95999	75.8
108.20782	0.7
110.50244	0.7
112.34822	0.7
121.10215	1.3
169.08685	1.3
183.13817	1.4
220.14677	1.6
221.15440	2.0
236.10547	1.3
275.20230	8.8
293.17926	100.0
293.21210	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13494	0.5
53.90314	0.5
59.01344	0.6
61.36970	0.5
62.69664	0.6
67.66012	0.6
96.96006	69.5
115.72687	0.6
121.10242	1.2
144.86571	0.6
168.11896	0.6
171.10310	3.1
176.25204	0.7
183.10275	3.0
183.13916	1.1
195.13966	0.9
223.17032	1.0
235.17052	1.5
275.20206	10.0
293.17941	100.0
293.21146	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52939	0.4
55.60031	0.5
59.01380	0.7
79.95735	0.7
90.23352	0.6
92.23103	0.7
96.96005	77.2
102.35638	0.5
113.09727	0.7
121.10229	1.0
171.10260	2.6
173.13127	0.6
183.13899	1.1
195.13910	1.2
223.13347	0.9
235.17036	1.2
236.10562	0.7
272.71417	0.6
275.20242	7.4
293.17953	100.0
293.21249	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68346	0.5
63.88228	0.5
67.28715	0.5
79.95709	0.6
96.96004	70.4
121.10228	2.9
171.10298	4.9
179.90559	0.6
195.13963	2.6
275.20218	8.9
293.17963	100.0
293.21237	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.45624	0.9
56.58847	1.0
62.91021	1.0
96.81738	1.4
121.10214	1.7
126.04460	1.1
171.10263	7.2
183.10255	8.0
183.13907	5.3
195.13940	2.0
200.92166	1.3
211.13470	1.8
223.17075	20.6
225.24814	1.4
235.17067	8.1
275.20157	25.2
293.17880	4.7
293.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91650	1.1
59.01384	1.2
65.38418	1.3
66.68452	1.2
83.30782	1.3
114.44209	1.5
121.10209	1.6
134.22563	1.5
170.35455	1.4
171.10243	6.0
183.13924	2.8
208.57932	1.4
223.17049	29.2
235.17062	27.0
275.20206	43.9
293.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05291	1.2
50.74773	1.2
56.15679	1.7
59.01392	3.5
61.43266	1.5
65.18556	1.7
75.38718	1.6
75.79687	1.6
84.89113	1.6
104.74905	1.9
107.33737	1.5
135.11797	12.1
157.08702	26.4
162.86156	2.0
236.10489	1.9
249.18666	30.8
270.81488	1.8
275.17502	3.0
275.20239	54.2
293.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69938	0.5
55.97554	0.6
55.99094	0.5
56.44669	0.5
57.03442	3.1
59.01370	1.5
62.92513	0.6
64.94205	0.5
71.01381	0.7
113.09733	14.9
125.09646	0.7
139.11305	0.9
149.09711	1.0
167.10704	1.3
179.10765	1.3
185.11806	3.3
195.13889	3.4
220.14743	7.0
221.15491	17.3
236.10559	11.9
249.22296	1.4
275.20151	1.2
293.17633	12.6
293.21213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75112	1.0
63.85556	0.9
77.18495	1.1
103.87881	1.0
129.47433	0.9
151.11301	1.5
169.12370	2.5
184.72340	1.1
197.11827	34.1
248.55913	1.0
275.20163	20.7
287.20670	1.1
293.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04150	1.1
59.01375	3.0
61.14872	1.1
63.20472	1.3
77.92538	1.2
83.95103	1.3
92.22585	1.8
93.61333	1.1
108.32030	1.3
114.15386	1.6
119.23525	1.3
123.43445	1.3
169.12090	1.4
180.96495	1.3
181.53026	1.4
193.66451	1.5
209.15482	100.0
231.21217	2.6
262.53659	1.4
275.17169	2.2
275.20190	70.1
293.21271	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01369	1.3
67.63196	0.8
80.25764	0.8
82.08549	0.8
98.68548	1.0
104.51437	0.9
113.09717	20.3
139.11290	1.1
151.92249	0.8
167.10814	1.9
174.51300	0.9
177.12863	1.0
179.10742	2.0
195.13911	5.5
216.13579	0.9
235.17001	6.6
249.22269	1.4
275.20212	10.6
293.21268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
60.94705	0.7
67.86058	0.6
72.96385	0.6
101.62583	0.7
113.09705	7.3
115.84608	0.8
116.38383	0.9
135.77547	0.8
139.11308	3.8
153.12849	1.0
182.89700	0.8
191.18150	1.7
195.13911	1.3
247.20764	1.8
247.84648	0.9
275.20209	1.6
293.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08202	0.9
64.19980	0.9
67.55954	0.8
74.04991	0.9
79.38351	0.9
80.34023	1.1
89.66863	0.9
89.90597	1.0
95.12772	0.9
158.19205	1.2
178.94185	1.1
195.13893	10.6
212.49065	1.1
223.13451	11.0
256.13080	2.2
275.20273	11.0
293.21252	100.0
312.57645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
59.66882	0.8
109.06571	1.8
121.10194	1.9
132.97029	0.9
151.90488	1.0
171.10239	6.9
180.91133	1.0
183.12259	1.2
183.13901	36.7
204.77869	1.1
211.13379	4.4
235.17061	5.4
265.21802	1.4
275.20166	22.2
293.21243	100.0
300.73865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
56.23247	0.8
56.60018	0.8
99.08154	22.4
109.49788	0.9
183.13885	1.9
193.12309	8.6
221.15485	1.8
231.21329	1.2
235.17052	1.2
270.64099	1.2
275.20303	7.4
280.19769	1.0
293.21249	100.0
310.17911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.66088	0.7
59.01373	1.0
63.22449	0.8
65.48303	0.7
81.64703	1.1
86.42066	1.0
87.39148	0.9
90.57790	0.9
104.66322	0.9
113.09715	20.2
113.66977	0.8
115.87263	1.1
125.67362	0.9
139.11273	1.0
149.09688	0.9
155.84471	1.0
167.10696	1.5
179.10828	1.4
195.13908	4.6
226.58765	0.9
249.22272	2.2
275.20053	1.2
293.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84554	0.5
73.70703	0.5
77.95880	0.5
96.22914	0.6
97.06609	0.7
98.72466	0.5
123.08186	0.6
125.09698	4.4
141.12827	1.4
147.58890	0.6
149.09691	1.3
181.42589	0.7
185.11823	12.4
185.13451	0.8
197.11823	2.7
205.21053	0.7
249.22214	0.6
274.77283	0.6
293.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83113	0.5
57.03449	0.7
57.19482	0.5
72.88892	0.5
123.08178	1.0
125.09709	6.0
140.98920	0.6
141.12894	1.5
149.09706	2.6
173.46436	0.8
175.75793	0.7
185.11812	12.2
197.11827	2.5
204.96277	0.7
249.22270	1.6
266.82516	0.7
293.21249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82337	0.6
55.53333	0.7
57.03442	3.6
59.01380	1.9
63.68573	0.7
68.86300	0.7
74.58268	0.8
83.29721	0.8
91.20263	0.7
103.88211	0.8
113.09713	20.0
139.11320	1.7
167.10768	1.6
179.10780	3.2
195.13937	6.2
195.15520	0.9
221.19029	0.8
249.22382	1.2
275.20221	1.1
293.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
60.21267	0.7
80.58516	0.8
87.94031	0.9
100.42759	0.8
104.36115	0.7
113.09741	5.9
125.09705	3.5
149.09706	1.1
179.10838	1.0
185.11826	8.5
197.11940	1.2
200.70857	0.8
220.14792	3.5
221.15465	10.2
236.10559	7.2
249.18527	0.9
249.22227	1.2
275.16553	3.0
293.17651	12.0
293.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2489
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.63325	0.5
53.12055	0.5
53.92556	0.4
84.92964	0.5
89.72428	0.5
93.87154	0.6
113.78419	0.7
115.59359	0.6
119.19817	0.6
122.04354	0.6
146.11923	0.6
152.44911	0.6
177.59192	0.6
191.59074	0.7
229.75891	0.7
288.09058	0.7
293.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11890	1.7
59.01387	2.3
63.02374	2.2
71.01385	1.8
75.24706	1.8
81.03458	28.4
82.91976	1.6
85.02934	10.5
86.03252	1.8
87.55296	1.7
90.03484	100.0
99.00864	3.3
100.01215	2.1
108.04549	87.7
109.79720	1.9
115.03998	4.4
116.04321	3.8
120.04512	2.6
130.02449	1.9
148.07681	3.5
152.03467	2.2
170.59708	1.7
176.07146	2.3
182.64032	1.8
250.07217	44.9
284.85870	1.7
294.06238	44.3
294.09296	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66764	0.6
61.67580	0.6
61.98835	100.0
79.95740	18.7
83.83738	0.6
95.95228	54.4
96.96004	24.2
113.79362	0.7
153.88393	0.7
162.61072	0.8
194.77972	0.9
196.15222	0.8
247.06526	3.8
279.13486	0.8
294.03525	1.2
294.06601	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47963	0.3
79.82664	0.3
79.95732	4.7
92.22479	0.4
93.31493	0.3
95.95219	100.0
96.96020	0.4
105.62715	0.3
113.34480	0.3
120.34886	0.3
123.76805	0.3
220.07768	1.3
247.06390	1.6
252.06599	1.1
294.06549	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22250	0.4
56.58553	0.6
61.98834	62.2
78.89249	0.6
79.95737	11.8
86.05383	0.5
95.95228	100.0
96.96002	0.9
99.96077	0.6
141.94540	4.3
146.28821	0.5
151.00734	6.2
182.51717	0.6
220.07744	4.6
231.06984	32.2
247.06415	1.3
252.06728	2.5
280.06186	0.8
294.06558	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38576	1.0
61.98520	2.6
61.98832	69.3
79.95750	13.1
86.12746	1.1
95.95229	100.0
141.94504	7.0
142.36899	1.1
144.34807	1.1
151.00764	8.9
151.68167	1.3
153.50433	1.1
207.97806	1.2
220.07796	2.3
231.06953	30.3
252.06746	5.1
266.20999	1.3
280.06137	1.9
294.06583	31.3
313.99100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34558	0.4
59.01377	2.2
67.09756	0.4
69.93465	0.4
71.01368	2.2
73.02965	0.5
78.30655	0.4
80.17181	0.4
83.62442	0.5
84.36248	0.4
86.06100	0.7
88.04034	17.4
89.02457	0.6
92.59264	0.4
98.11342	0.4
100.03976	0.4
101.02480	0.9
110.06052	0.5
113.03547	1.0
114.01974	3.9
115.00366	7.4
120.01238	3.5
130.05116	2.8
131.04620	5.1
132.03024	100.0
132.05023	2.5
150.15515	0.4
154.63596	0.5
174.04048	4.8
177.90959	0.6
186.04051	0.6
204.05144	9.9
207.03354	1.1
232.49792	0.6
246.06166	0.5
294.08389	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35368	0.7
61.58725	0.8
69.50098	0.9
71.01396	1.7
80.45592	0.8
83.19967	0.7
88.04035	18.5
105.70577	0.9
113.54583	0.9
114.01921	1.6
115.00344	6.8
120.01245	6.1
130.05049	0.9
131.04622	2.2
132.03021	100.0
146.45410	1.0
163.04362	1.7
174.04037	2.1
199.85201	0.9
204.05174	10.4
204.06796	1.3
207.03340	4.3
229.96210	0.9
294.08505	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55597	0.6
50.60025	0.6
58.25445	0.6
59.01396	1.0
62.97477	0.8
70.02972	1.5
71.01375	1.7
73.02948	1.0
88.04039	18.4
88.04536	1.4
101.02417	5.5
110.06115	0.8
113.03567	8.9
114.01963	8.2
114.03190	1.3
114.03892	6.5
115.00352	9.4
115.02288	3.8
126.24239	0.8
130.05084	4.6
131.03671	1.8
131.04619	39.5
132.03024	100.0
132.05013	22.3
157.35754	0.9
173.05714	1.1
174.04085	5.5
174.05948	1.1
178.07246	1.5
186.04158	1.0
203.06752	1.7
204.05403	8.5
204.07037	7.8
204.27925	0.9
294.08224	13.7
294.10800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0834
Annotation	GlcN-Mal
Peak:m/z	Relative Intensity
50.72655	0.8
51.33028	0.9
53.52423	0.7
57.21547	0.9
58.70982	0.9
59.01374	7.3
60.00303	0.9
68.94364	0.9
69.86091	1.0
71.01368	11.7
72.99284	1.8
86.02509	3.7
88.04023	24.0
105.44844	1.2
114.05600	11.2
115.00359	35.2
124.07689	1.3
132.03029	2.0
160.06155	34.7
178.07213	100.0
223.69199	1.0
258.06229	1.4
276.07172	20.6
294.08328	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.7
57.03446	1.6
59.01373	12.7
63.43497	1.3
71.01377	81.7
73.02937	32.8
83.01383	9.2
85.02942	42.6
86.72244	1.4
87.00861	1.6
89.02429	1.8
95.01381	7.2
99.00860	9.6
101.02431	50.8
109.78743	1.7
110.14311	1.4
113.02435	46.7
131.03745	6.0
143.03502	6.9
159.02960	9.6
161.04550	100.0
175.03899	1.7
207.62204	1.8
256.62125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0987
Annotation	Prulaurasin
Peak:m/z	Relative Intensity
65.22691	1.0
73.34657	1.0
93.64473	1.4
131.03786	24.5
132.04556	100.0
146.31889	1.4
160.08713	2.6
173.41602	1.2
294.21677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0987
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
58.02983	1.7
72.99304	48.9
74.16029	1.6
81.02200	20.1
82.02994	2.8
91.05547	4.0
92.23108	1.9
109.01685	10.0
116.05049	8.3
118.06612	1.6
119.38841	1.6
124.08041	1.6
128.42873	1.9
132.74590	2.1
141.04324	3.3
146.06061	1.7
147.04608	6.5
156.08171	8.2
162.02814	2.6
172.07687	11.2
188.07176	3.2
189.04411	12.7
200.07187	100.0
202.05156	12.8
204.06691	23.8
218.08292	7.1
222.07698	2.2
232.09740	2.3
234.07724	11.3
244.06178	15.0
248.09297	37.6
262.07242	3.7
266.04697	2.5
276.08820	25.6
278.04590	22.8
279.05463	18.4
294.07538	8.4
294.10214	40.7
294.75195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50555	0.8
54.30761	0.7
57.03466	1.6
58.28561	0.6
58.40601	0.8
63.99024	0.7
71.05030	0.8
151.02711	1.0
179.14412	35.3
190.83435	0.8
202.17041	0.8
220.51836	0.8
223.13367	7.6
294.13525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95490	1.0
59.01372	1.1
64.97384	1.0
74.29456	1.0
156.11073	1.1
171.10258	1.7
183.10254	9.8
183.13892	11.9
184.10674	11.8
184.14223	16.8
206.40958	1.1
211.41962	1.1
236.17430	2.4
241.62195	1.4
276.20514	20.6
294.21588	100.0
314.22513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2437
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
52.58903	0.4
54.80067	0.3
59.01383	0.6
59.04129	0.4
60.68435	0.3
66.03481	0.9
78.90314	0.4
80.05050	1.7
88.98020	0.4
195.15331	0.4
221.15019	0.4
224.40749	0.4
250.25378	0.5
253.21758	0.8
276.23337	3.9
294.24408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60857	0.3
59.01359	0.5
61.59932	0.3
63.05192	0.3
67.25253	0.4
68.93546	0.3
72.99302	4.2
78.95903	21.7
79.89242	0.4
96.96954	100.0
99.49809	0.4
109.99061	0.4
123.04501	2.0
135.04529	2.4
135.92041	0.4
179.03493	5.5
197.04567	13.2
269.65732	0.4
277.01251	2.4
295.02280	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39904	0.4
59.01372	2.8
67.06106	0.3
71.01376	0.7
72.99304	4.3
78.95899	21.1
89.02441	1.9
96.96951	100.0
101.02442	1.4
102.47428	0.3
102.99575	0.3
105.87865	0.3
113.02416	0.6
119.03494	0.5
123.04506	1.4
123.09306	0.3
129.72049	0.3
135.04503	1.6
179.03477	5.6
183.89990	0.3
197.04553	11.9
277.01257	2.1
295.02231	3.2
295.10339	3.3
319.91351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
71.01369	4.5
72.99303	5.5
78.95902	21.9
85.02935	0.3
87.00874	0.2
87.35597	0.3
89.02437	5.6
95.01373	0.3
96.96953	100.0
101.02445	1.9
113.02444	1.9
115.00362	1.6
115.03975	0.4
119.03499	1.7
123.04517	1.8
132.02983	0.5
133.01416	2.1
133.03426	0.4
133.05031	1.8
135.04543	2.0
147.29666	0.3
168.03293	0.3
179.03529	5.4
179.05560	2.3
197.04567	12.6
277.01144	2.0
295.02252	3.0
295.07224	0.5
295.10416	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59848	0.3
54.99719	0.3
59.01379	5.6
62.03840	0.3
62.41121	0.3
71.01395	2.6
72.99299	4.8
76.38657	0.3
78.95900	23.0
87.62217	0.3
89.02438	3.8
96.96953	100.0
101.02431	1.8
113.02468	1.3
114.04901	0.3
115.03984	0.8
119.03484	0.4
123.04512	1.7
133.05069	1.5
135.04509	1.9
168.82520	0.4
179.03522	4.6
179.05487	0.3
187.18008	0.3
197.04570	13.2
277.01199	2.1
295.02237	2.8
295.10385	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69736	0.3
51.18363	0.3
59.01379	2.2
59.63742	0.3
71.01381	1.8
72.99312	4.9
75.76795	0.3
78.95903	21.2
88.43353	0.4
89.02441	1.9
96.96956	100.0
101.02455	0.5
113.02434	0.4
115.00402	0.5
115.04041	0.8
116.43887	0.4
123.04507	1.8
124.00064	0.3
131.49715	0.3
133.01396	0.5
133.03337	0.4
135.04523	2.1
165.32790	0.3
179.03528	4.5
179.05670	0.6
197.04568	11.7
200.89813	0.4
277.01166	2.4
280.94217	0.3
287.61710	0.4
289.25449	0.3
294.68967	0.4
295.02213	2.6
295.10199	0.7
309.84976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26966	0.3
59.01384	14.6
59.93855	0.3
68.93510	0.4
70.29259	0.3
71.01382	9.2
72.99306	4.9
73.76111	0.3
75.00847	0.4
77.24746	0.3
77.63620	0.3
78.95906	21.1
85.02940	1.4
87.00819	0.5
89.02439	13.2
89.02962	0.7
96.96956	100.0
101.02436	6.0
113.02438	3.5
115.00352	0.8
115.04028	0.7
119.03504	4.3
123.04549	1.6
132.03017	1.9
133.01445	2.0
133.03409	0.4
133.05034	0.5
135.04526	2.2
139.14053	0.4
143.03517	0.5
161.04565	0.6
162.57030	0.5
179.03496	5.5
179.05630	2.8
180.99255	0.3
197.04567	13.7
214.57922	0.3
273.24118	0.3
276.83969	1.5
277.01282	2.7
294.84915	0.6
295.02463	2.8
295.07034	0.7
295.10403	17.3
295.22742	0.7
298.32098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14416	0.3
54.39845	0.2
59.01383	0.8
59.13031	0.3
61.52402	0.3
72.99304	4.8
78.95907	22.6
88.47636	0.4
88.95725	0.3
89.02418	0.5
96.96957	100.0
111.51517	0.3
114.01957	0.8
123.04526	1.9
127.91574	0.4
135.04533	2.0
179.03474	5.8
180.07832	0.5
186.00923	0.4
197.04568	12.4
204.81516	0.4
277.01215	2.7
295.02213	2.6
295.10422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25708	0.3
59.01384	1.7
59.29685	0.3
67.61604	0.4
71.01379	0.7
72.99294	4.6
74.06019	0.4
75.71545	0.3
78.95907	21.5
81.58079	0.4
89.02423	0.7
96.96959	100.0
115.22530	0.4
123.04475	0.9
135.04529	2.1
171.89763	0.4
179.03522	3.4
197.04573	12.5
277.01199	2.7
295.02155	4.2
295.10400	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0614
Annotation	5-Methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01395	0.8
72.99333	0.8
80.79485	0.8
83.02896	0.8
104.42588	1.0
140.40614	0.9
141.77167	1.0
207.04500	6.9
208.05310	42.2
251.03406	0.9
252.04297	39.1
267.06622	8.9
280.03778	100.0
295.06131	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93863	1.6
57.51658	1.4
59.01379	74.3
66.96628	1.6
67.29117	1.4
68.55596	1.7
68.68717	1.5
69.03468	2.0
71.01377	75.2
72.99304	9.0
73.02932	2.0
78.95917	1.5
83.01410	2.4
85.02962	3.4
88.04036	4.1
89.02436	100.0
89.04372	2.6
90.74728	2.0
95.01374	2.3
99.00854	2.5
101.02448	26.9
102.28773	1.6
109.04014	1.7
113.02431	22.5
115.00365	29.6
119.03492	32.1
131.03482	2.5
131.04588	2.4
132.03029	32.5
133.01422	31.8
133.03384	26.7
143.03520	3.9
147.08029	1.6
150.74142	1.6
161.04535	11.2
179.05609	54.0
205.03415	2.2
205.05438	2.8
225.69690	1.6
235.04662	2.9
276.83804	2.6
295.06421	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66186	0.4
59.01381	4.9
68.89908	0.6
71.01377	47.7
75.43427	0.5
85.02948	0.7
89.02435	6.3
101.02442	1.2
111.00890	1.4
111.56869	0.6
113.02453	0.7
115.00361	100.0
119.03471	0.9
120.99659	6.8
163.04337	0.7
200.25937	0.5
207.03229	0.8
236.16339	0.6
295.06760	40.5
295.10092	1.4
307.45779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12568	0.8
59.01389	5.1
63.23258	0.6
71.01379	46.0
71.01775	1.5
89.02427	5.8
91.08991	0.7
101.02438	2.5
113.02404	0.7
115.00365	100.0
118.17596	0.7
120.08258	0.7
120.99648	2.5
130.63036	0.6
142.67171	0.8
152.10378	0.7
153.36081	0.8
164.55867	0.7
180.14604	0.6
196.84288	0.7
223.00417	0.7
280.05798	1.1
295.06662	35.1
295.22665	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97623	0.6
59.01376	5.0
71.01377	42.8
89.02445	3.9
101.02428	1.5
113.02439	1.0
115.00362	100.0
118.91671	0.9
119.03493	1.1
158.38063	0.6
171.39238	0.6
185.26973	0.6
295.06760	26.1
295.10092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
67.01408	0.5
71.01378	44.4
72.99304	0.5
78.95901	3.0
89.02436	7.1
96.96952	9.8
99.04523	0.8
101.02441	2.9
113.02409	0.9
113.92640	0.7
115.00361	100.0
115.92028	0.5
119.03501	0.6
131.04620	0.5
149.02458	0.8
179.05714	0.7
197.04648	1.0
246.61707	0.6
277.21848	0.7
295.06720	35.5
295.10022	1.1
295.22772	2.0
309.38647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68702	0.4
59.01386	4.7
62.52388	0.5
71.01378	49.3
89.02458	4.2
90.52850	0.5
96.96969	0.6
101.02458	1.0
113.02444	0.7
115.00363	100.0
118.53322	0.5
127.05136	0.9
170.92046	0.5
195.05127	0.6
235.06197	0.6
295.06680	31.0
295.22614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0833
Annotation	Phellodenol F
Peak:m/z	Relative Intensity
53.10452	2.2
59.01369	3.0
61.48835	1.9
66.03083	2.2
85.97186	2.3
87.52293	2.6
99.00890	2.1
103.99986	2.5
138.26978	2.6
139.00378	4.7
158.04819	2.4
166.64177	2.3
176.04770	3.2
191.03658	7.4
203.03514	14.2
221.04529	3.3
232.61093	2.4
235.06140	11.5
247.02461	30.9
262.04831	85.8
265.03604	21.5
277.07187	83.6
280.05869	39.1
295.08228	100.0
295.22858	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	60.8
71.01009	1.4
71.01382	28.9
72.99286	0.9
75.00845	0.9
78.95898	3.2
83.01375	0.8
85.02936	3.6
86.21528	0.7
89.02439	40.3
95.01360	1.4
96.96951	8.5
101.02441	21.0
113.02447	13.5
117.62841	0.7
119.03490	15.0
133.05025	1.7
179.05586	1.3
197.05710	1.2
265.05203	0.9
276.83765	0.9
295.10361	100.0
295.22839	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90860	1.4
52.31802	1.2
59.01381	76.6
61.39679	1.4
69.12299	1.5
71.01014	2.0
71.01382	36.0
73.02937	3.1
74.27146	1.3
85.02957	6.1
89.02434	62.5
95.01384	2.6
97.02950	1.8
101.02441	34.2
104.97347	1.4
108.79514	1.4
111.28703	2.2
113.02447	19.3
113.11260	1.9
115.00370	6.0
115.03983	17.4
119.03498	18.0
133.05064	7.4
179.05589	2.8
202.36980	1.6
260.44656	1.6
270.85840	1.3
295.10364	100.0
296.69391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.5
59.01381	100.0
62.08046	1.4
68.30770	1.2
69.60809	1.2
70.02953	1.3
70.69119	1.2
71.01377	47.5
73.02968	1.6
83.01369	1.5
85.02937	7.0
89.02434	72.8
95.01373	2.8
97.02970	2.0
101.02439	37.0
101.03080	2.2
113.02421	24.1
114.01948	3.0
115.04005	18.4
119.03482	23.1
133.05057	1.4
134.15970	1.5
143.03531	2.5
161.04619	1.8
162.90535	1.6
164.04590	2.4
179.05585	6.9
295.10364	80.0
306.59485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.5
59.01382	58.3
59.83848	0.6
70.02975	3.3
71.01379	25.8
72.99303	1.0
73.02929	1.1
78.95928	0.9
85.02954	5.4
89.02440	42.7
93.49817	0.7
95.01398	2.6
96.96954	5.6
101.02437	20.2
108.41100	0.7
113.02448	15.1
114.01965	6.5
119.03487	14.9
133.01457	0.7
133.05067	1.0
143.03612	0.7
164.04692	6.5
180.04207	1.5
180.07722	4.9
197.05664	1.3
201.78981	0.8
232.95787	0.6
295.10373	100.0
295.23105	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Porritoxinol
Peak:m/z	Relative Intensity
50.84896	1.1
56.15515	1.0
58.03971	1.0
58.06812	0.9
58.08334	1.0
58.88186	0.9
59.01373	2.1
71.01382	1.1
73.02939	1.4
73.06499	1.0
75.45380	1.0
88.12627	1.1
89.55196	1.1
112.70830	1.0
119.07127	1.9
120.46324	1.1
133.02937	17.4
134.03737	13.4
149.06093	5.2
160.01649	25.8
168.10025	1.2
175.04008	60.3
177.01981	12.7
178.02650	2.1
179.03542	6.0
189.77872	1.1
193.05092	12.6
249.07695	2.7
276.38260	1.3
277.21930	1.5
280.09528	53.5
295.11929	100.0
295.22821	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
57.03458	3.0
57.95657	1.9
59.01383	4.8
64.68184	1.8
71.04996	2.7
83.05033	3.5
85.02939	2.3
89.65025	1.9
91.39007	2.1
95.05006	21.1
104.61331	2.0
109.02938	2.7
111.04498	17.0
113.06094	24.3
115.04009	3.2
121.06574	5.1
123.08155	4.6
137.06064	3.9
137.09731	3.4
139.07617	10.5
147.87314	2.0
149.09717	16.4
163.11272	3.2
164.04785	4.4
165.09166	9.2
171.11806	10.6
189.12875	98.7
207.13861	4.1
208.03796	9.4
223.06117	18.1
251.12918	72.7
295.08450	11.5
295.11865	100.0
295.22845	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1664
Annotation	3beta,4alpha,13alpha-Trihydroxylupanine
Peak:m/z	Relative Intensity
50.94060	1.4
59.01379	8.0
59.21563	1.9
70.02971	39.5
87.01582	1.4
89.67109	1.6
91.68695	1.5
95.95236	3.3
96.00906	3.0
96.95996	19.3
97.06460	2.0
109.05322	3.8
111.84418	1.7
114.01960	100.0
140.07159	2.2
169.35922	1.7
178.12408	8.3
180.13957	37.9
182.11880	13.6
194.11891	9.6
212.12883	2.3
215.16554	19.0
244.65215	2.0
251.17499	3.0
277.21567	2.4
295.06473	1.7
295.12207	21.1
295.16608	69.2
295.22784	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41957	0.4
59.01395	1.1
63.70393	0.4
97.20924	0.5
171.10254	0.5
193.71841	0.5
233.19107	1.0
251.20178	90.2
252.61775	0.5
277.18152	9.4
277.21472	1.1
295.19186	100.0
295.22549	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
58.00759	0.7
64.94619	0.6
72.43298	0.7
96.69242	0.8
111.04523	1.0
115.53027	0.8
140.07259	0.7
149.44279	0.8
228.34453	0.8
233.19058	1.0
251.20180	51.4
259.17175	1.0
277.18127	10.3
295.19165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2183
Annotation	(-)-Vallesamidine
Peak:m/z	Relative Intensity
50.90792	0.7
53.23320	0.7
55.34537	0.9
57.17017	0.8
57.50627	0.8
61.43176	0.8
61.62271	0.9
71.84005	0.8
72.45179	1.0
81.99424	0.9
110.68769	0.9
112.15548	1.0
121.10195	1.6
172.10706	1.2
173.10791	2.2
182.87007	1.1
183.13876	7.6
184.14253	14.9
185.14493	14.1
212.13821	1.4
213.13974	4.4
237.17680	1.5
240.06967	0.9
261.21487	1.0
275.20193	1.4
277.20853	20.1
295.21869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.80210	0.9
55.30537	0.8
57.10065	0.7
59.01390	6.6
64.99826	0.8
77.33193	1.1
79.81444	0.8
92.22520	1.2
104.76090	1.1
113.09676	1.3
121.05441	0.8
155.10690	1.8
157.08650	1.0
181.30670	0.9
182.88292	1.0
183.10278	16.4
183.13887	7.1
195.13887	12.6
277.18094	12.0
277.21716	16.5
295.19150	11.1
295.22772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.02762	0.8
52.03593	1.0
52.48442	0.8
58.80543	1.0
59.01374	4.6
63.32069	0.9
66.39625	0.8
82.84899	1.0
96.00031	1.0
113.09708	1.6
123.85022	0.9
195.13916	17.6
211.60901	0.9
217.80519	0.9
218.89313	1.0
224.08470	0.9
226.01588	0.9
251.20082	1.1
265.05124	2.1
277.21707	23.8
279.05017	1.0
280.07455	1.7
295.18970	4.2
295.22803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02762	0.8
52.03593	1.0
52.48442	0.8
58.80543	1.0
59.01374	4.6
63.32069	0.9
66.39625	0.8
82.84899	1.0
96.00031	1.0
113.09708	1.6
123.85022	0.9
195.13916	17.6
211.60901	0.9
217.80519	0.9
218.89313	1.0
224.08470	0.9
226.01588	0.9
251.20082	1.1
265.05124	2.1
277.21707	23.8
279.05017	1.0
280.07455	1.7
295.18970	4.2
295.22803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73982	0.9
54.97794	0.8
56.62886	0.9
59.01399	1.7
59.90567	0.9
91.30860	1.1
105.99871	1.0
137.27354	1.2
140.79463	1.3
157.08691	40.2
164.63637	1.1
195.13910	12.5
213.75922	1.4
222.20503	1.2
259.36917	1.4
277.21719	53.8
295.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55398	0.8
59.37369	0.8
125.09764	1.0
155.10739	1.4
167.99670	1.0
171.10291	22.0
183.10280	18.9
242.45996	0.8
265.35889	0.9
272.67209	0.9
277.21741	34.5
295.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71158	0.7
68.38155	0.8
75.81280	0.8
96.58202	0.9
102.04986	0.8
113.09690	1.2
129.32660	1.0
183.13924	1.3
195.13902	15.4
251.23785	1.2
277.21759	16.5
284.46918	1.0
295.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.55826	0.7
54.93399	0.9
56.36396	0.8
57.03450	0.8
59.01372	1.1
69.31976	0.8
72.05704	0.9
85.49433	0.9
171.10281	4.8
183.10268	2.1
183.13895	5.3
193.64133	1.0
195.13918	3.9
277.21729	17.3
285.81451	0.9
295.22836	100.0
295.26382	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66854	0.8
69.43395	0.7
83.94742	0.8
85.50718	0.8
111.08198	1.2
165.62862	0.8
171.10289	6.5
183.12216	1.7
183.13901	70.7
277.21774	13.5
295.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81685	0.9
63.51784	0.8
65.13462	0.9
74.27026	1.0
129.16963	1.1
171.10262	41.5
248.19569	1.2
251.20398	1.2
259.20526	1.0
277.21732	67.7
295.19543	3.8
295.22797	100.0
308.36975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37692	0.8
91.60468	0.8
96.15463	0.7
125.09707	1.0
134.66460	0.8
141.12866	1.7
147.60228	0.8
153.12866	1.0
155.80383	0.7
169.12352	3.2
197.11801	2.7
199.94266	0.8
277.21783	12.7
279.79367	0.9
295.22815	100.0
296.63229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80135	1.1
59.01373	2.0
68.01205	1.0
68.44582	1.2
77.87116	1.2
80.09553	1.1
107.84616	1.1
177.57388	1.3
191.14478	1.2
209.15482	61.1
210.74763	1.2
223.17099	15.2
233.22607	1.7
276.48245	1.2
277.21753	80.0
295.22775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81733	1.1
59.01390	1.7
59.74936	0.9
70.77134	1.1
74.75888	1.0
75.46930	1.0
76.02486	1.0
97.51463	1.1
113.09723	2.2
117.02176	1.3
160.23033	1.3
179.14330	1.7
189.03218	1.4
195.13908	23.9
216.87019	1.4
277.21725	23.6
280.58444	1.2
295.22803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
110.81697	0.7
113.09776	1.0
125.09702	0.8
155.14424	3.5
171.10268	16.5
172.08774	0.8
183.10225	1.5
183.13806	0.8
195.13930	7.7
238.39888	0.8
251.23747	2.9
266.12808	0.8
277.18674	1.1
277.21753	28.9
280.65259	0.7
295.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59459	0.5
65.85233	0.6
73.41032	0.5
78.60492	0.5
85.32148	0.5
86.22073	0.5
92.23146	0.6
108.12626	0.6
108.71597	0.6
118.65064	0.6
125.09737	5.4
141.12822	1.3
150.51285	0.6
151.11278	2.7
164.37917	0.6
209.31749	0.7
217.97597	0.6
251.23819	2.2
277.21701	1.4
295.22821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66351	1.0
57.61602	1.0
63.53867	1.0
114.78661	1.0
120.66163	1.1
125.09674	1.9
171.10271	33.6
183.10291	3.7
277.21741	46.1
281.09528	1.2
295.22797	100.0
301.86444	1.0
312.51309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
81.50407	0.5
84.09560	0.6
84.69114	0.5
101.12514	0.5
116.95139	0.6
127.11288	1.2
136.01317	0.6
141.12880	10.9
155.14421	5.0
173.41026	0.6
178.64180	0.6
231.21187	0.8
249.22249	12.7
277.21704	2.5
295.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
59.58962	0.6
59.81025	0.5
66.46058	0.6
85.03196	0.7
92.22505	1.0
113.09722	3.1
177.12856	0.7
177.19698	0.7
179.14452	1.2
183.98015	0.7
184.30725	0.7
190.01988	0.8
195.12112	0.8
195.13916	20.0
269.97665	0.6
277.21762	20.4
291.54031	0.7
295.22821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2645
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
53.61560	0.3
53.61908	0.4
64.00689	0.4
70.07905	0.4
77.33649	0.5
172.42868	0.6
221.22098	0.5
278.58530	0.6
295.26440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09249	0.5
59.92411	0.5
70.01106	0.5
92.15160	0.5
102.19469	0.5
152.15738	0.6
175.58623	0.6
228.00790	0.6
279.74036	0.5
295.26437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
60.62100	0.9
60.68407	0.9
67.39375	0.9
188.74173	1.0
295.22882	8.4
295.26407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2644
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
58.70556	0.8
59.94602	0.8
66.83760	0.7
96.83805	1.0
100.51770	0.9
105.00893	0.9
132.05804	0.9
167.31049	0.9
249.19333	1.2
276.02039	1.1
277.21640	1.1
295.22888	9.5
295.26404	100.0
303.24515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
62.29169	0.9
67.56901	1.1
70.02990	8.2
71.01379	2.5
72.00914	14.2
72.60306	1.2
72.99297	1.6
78.95905	2.3
79.35538	1.1
86.02467	1.9
88.04029	1.9
92.39573	1.4
93.03465	6.5
96.00918	2.1
96.96957	17.9
99.00878	2.3
109.01684	47.6
110.02469	48.3
114.01998	1.9
118.02982	2.3
119.05041	12.0
127.94488	1.1
128.03513	1.3
134.06116	10.9
160.04103	1.4
162.05632	5.7
163.04002	19.8
164.07095	1.5
172.47778	1.7
173.06218	1.7
178.05115	1.9
180.06674	100.0
186.00999	1.4
190.08737	7.6
191.07239	1.2
192.06694	16.9
206.04601	10.3
216.06691	6.0
218.04739	1.6
234.07713	5.5
236.05493	1.9
236.72884	1.5
260.05658	77.5
278.06735	37.0
296.07901	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06216	2.0
53.10407	2.3
64.84793	2.1
70.02977	5.4
71.01377	3.5
72.00906	10.8
72.99300	5.9
73.02949	3.9
75.13965	2.5
82.03001	2.9
93.03430	10.5
96.00916	2.6
97.02945	2.8
98.02489	4.3
99.00877	12.1
101.38470	2.7
103.89091	2.6
108.04552	6.2
109.01688	64.5
109.07562	2.6
110.02476	54.7
114.01937	4.7
118.02966	31.9
119.05003	11.8
120.04538	2.8
134.06108	35.6
135.04478	4.1
144.08156	13.4
149.06015	5.2
152.03442	4.9
160.04083	10.3
162.01944	9.6
162.05609	42.3
163.04016	14.5
163.07584	2.5
164.03479	2.8
164.07141	10.5
178.05119	26.0
180.06671	78.6
188.03548	12.5
190.08716	13.9
192.06677	11.4
196.06143	2.4
206.04596	100.0
206.08156	12.1
210.76595	3.1
216.06631	17.1
218.04697	3.0
234.07863	4.3
247.70821	3.1
252.05539	3.3
252.08771	3.4
260.05655	86.3
278.06693	39.5
296.07751	36.5
296.11026	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24004	1.9
70.02970	12.4
71.01374	2.3
72.00893	3.6
72.99306	11.4
82.02998	2.3
85.02947	2.0
88.04005	6.2
93.03456	4.4
96.00922	2.3
99.00867	7.5
109.01685	81.2
110.02470	83.3
114.01944	10.2
119.05000	8.5
128.03537	2.5
134.06097	13.2
162.05650	3.5
163.04021	15.1
173.06088	3.5
180.06657	87.9
190.08792	12.8
192.06696	9.9
216.06682	7.8
218.04498	2.9
222.07623	3.3
234.07741	7.8
247.78111	2.1
260.05670	100.0
278.06738	51.6
296.07916	11.2
296.11392	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46951	1.2
52.23751	1.1
59.99416	1.1
61.88846	1.3
63.79948	1.2
69.46909	1.2
70.02975	5.8
71.01363	2.8
72.00912	13.8
82.02969	1.6
84.04534	1.2
86.02476	2.9
93.03452	6.9
96.96000	1.6
99.00876	4.8
100.10225	1.3
109.01684	42.1
110.02476	43.6
114.01965	2.4
115.00372	1.7
119.05058	10.7
129.24576	1.4
133.01439	7.0
134.01717	2.2
134.06116	9.6
136.07681	1.7
162.05571	2.0
163.04007	21.6
164.07295	1.4
180.06670	100.0
190.08783	8.4
192.06635	16.9
205.00095	1.4
216.06764	3.0
218.04655	2.0
234.07687	4.9
260.05667	83.9
260.08456	2.7
275.25156	1.3
278.06702	39.1
296.07846	12.4
296.10779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66195	1.3
56.43253	1.3
56.58841	1.6
70.02980	9.8
71.68534	1.7
72.00918	6.9
72.99290	13.5
84.04523	2.0
93.03451	6.3
96.00906	1.9
99.00889	8.4
109.01687	70.6
109.96930	1.6
110.02471	63.5
113.02434	3.3
113.57312	1.6
114.01957	7.0
115.46533	1.6
119.05038	10.1
123.04523	1.7
128.03510	2.6
133.02939	2.6
133.49641	1.8
134.06113	12.9
162.05559	1.8
163.04005	13.7
173.06018	2.9
180.06668	74.4
190.08815	12.5
191.07156	2.7
192.06718	8.2
198.83116	1.7
216.06589	8.9
218.04662	6.3
234.07806	3.1
260.05667	100.0
278.06750	52.6
296.07834	11.8
296.10797	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
60.55447	1.0
70.02971	6.5
71.01388	1.9
72.00909	11.8
72.77204	1.2
82.67485	1.0
84.04538	1.4
85.02905	1.1
86.49232	1.1
88.04012	1.1
90.74958	1.3
91.64280	1.2
93.03426	2.3
93.62495	1.4
95.18713	1.2
96.00929	5.1
99.00889	2.5
109.01690	39.7
110.02477	41.5
114.01945	2.2
119.05046	10.1
134.06108	5.3
149.94023	1.3
158.12578	1.1
161.02193	1.2
162.05664	2.3
163.04016	17.3
163.07645	1.9
180.06679	100.0
190.08710	8.3
191.07230	1.3
192.06665	19.6
194.05487	1.3
206.08351	1.3
234.07729	6.0
236.05690	1.8
260.05670	71.8
278.06729	34.5
296.07861	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66195	1.3
56.43253	1.3
56.58841	1.6
70.02980	9.8
71.68534	1.7
72.00918	6.9
72.99290	13.5
84.04523	2.0
93.03451	6.3
96.00906	1.9
99.00889	8.4
109.01687	70.6
109.96930	1.6
110.02471	63.5
113.02434	3.3
113.57312	1.6
114.01957	7.0
115.46533	1.6
119.05038	10.1
123.04523	1.7
128.03510	2.6
133.02939	2.6
133.49641	1.8
134.06113	12.9
162.05559	1.8
163.04005	13.7
173.06018	2.9
180.06668	74.4
190.08815	12.5
191.07156	2.7
192.06718	8.2
198.83116	1.7
216.06589	8.9
218.04662	6.3
234.07806	3.1
260.05667	100.0
278.06750	52.6
296.07834	11.8
296.10797	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68187	1.1
70.02977	6.4
71.01377	2.8
72.00910	14.1
84.19508	1.2
86.02465	1.3
86.80819	1.3
88.64957	1.2
93.03460	6.1
95.94490	1.1
96.96952	5.4
99.00845	2.4
101.60637	1.2
104.26135	1.3
107.68468	1.3
109.01685	49.7
110.02477	42.1
114.01949	5.4
119.05007	9.9
134.06120	6.7
162.05687	2.5
163.03995	16.9
163.07706	1.9
165.75441	1.3
173.06067	2.0
180.06671	100.0
190.08731	6.9
192.06668	20.7
196.50526	1.2
216.06728	5.2
218.04573	1.8
234.07704	6.5
260.05655	75.0
278.06693	37.0
296.07791	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55480	1.5
56.01733	1.4
62.69831	1.3
64.55329	1.4
68.86619	1.7
70.02977	7.5
71.01382	1.5
72.00939	5.7
72.99300	10.5
76.38724	1.5
82.02987	6.2
84.04527	2.3
87.63400	1.5
93.03438	4.0
96.00905	3.5
99.00873	11.1
100.04041	8.2
107.05035	2.0
109.00990	3.5
109.01691	73.8
110.02467	73.9
114.01958	3.1
119.05000	8.2
128.03493	3.0
134.03690	2.9
134.06093	12.9
149.06186	1.8
162.05583	8.5
162.42123	1.6
163.04015	21.7
165.05139	1.9
173.06062	2.9
180.06659	75.2
180.08144	3.2
190.08762	12.8
190.13101	2.3
191.07181	1.6
192.06668	7.1
209.03944	2.0
216.06718	3.7
218.04437	2.7
224.06534	2.6
234.07710	6.5
260.05658	100.0
269.91125	1.9
278.06757	46.3
278.09814	3.4
296.07965	10.4
296.11594	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45445	1.1
59.01371	1.3
63.39867	1.0
65.82786	1.0
69.61800	0.9
70.02973	2.5
71.01366	2.0
72.00904	14.0
86.50701	1.1
88.04041	2.1
93.03434	6.1
99.00880	6.8
106.04253	1.2
107.05041	1.7
109.01681	43.9
110.01735	2.1
110.02470	43.7
113.55141	1.0
114.01950	4.6
115.00377	1.1
119.05038	8.5
128.03508	1.9
134.06107	6.3
136.07727	1.3
162.05646	1.7
163.03998	17.4
180.06668	100.0
190.08766	6.3
192.06659	16.1
216.06763	2.0
218.04515	1.3
223.14307	1.3
230.36357	1.3
234.07793	5.6
236.05637	1.4
260.05664	62.2
278.06665	27.8
296.07748	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47943	2.1
60.60459	2.0
63.86351	2.1
67.81518	1.8
70.02951	3.1
72.00900	10.8
82.02977	11.3
85.02945	2.2
93.03434	4.6
96.00916	2.1
99.00911	3.6
100.04043	5.2
104.82075	2.1
109.01700	51.9
110.02469	46.3
114.01991	3.0
119.05006	11.8
122.03768	3.1
128.03532	3.3
134.03769	3.5
134.06100	4.0
162.05655	3.7
163.03996	18.3
163.07558	3.0
180.06668	100.0
183.53072	2.3
190.08760	5.2
192.06677	21.4
216.06784	2.8
250.10822	4.2
260.05655	66.5
278.06763	29.7
278.09470	3.5
296.07828	9.0
296.11426	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24004	1.9
70.02970	12.4
71.01374	2.3
72.00893	3.6
72.99306	11.4
82.02998	2.3
85.02947	2.0
88.04005	6.2
93.03456	4.4
96.00922	2.3
99.00867	7.5
109.01685	81.2
110.02470	83.3
114.01944	10.2
119.05000	8.5
128.03537	2.5
134.06097	13.2
162.05650	3.5
163.04021	15.1
173.06088	3.5
180.06657	87.9
190.08792	12.8
192.06696	9.9
216.06682	7.8
218.04498	2.9
222.07623	3.3
234.07741	7.8
247.78111	2.1
260.05670	100.0
278.06738	51.6
296.07916	11.2
296.11392	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1141
Annotation	5574-80-1
Peak:m/z	Relative Intensity
59.01367	1.0
73.84673	0.9
86.02438	1.4
87.00875	13.4
88.04031	74.2
89.02435	36.0
92.58856	1.0
106.04216	1.3
107.05044	6.7
113.69141	0.9
119.05002	13.6
130.05084	6.0
136.07657	7.3
137.63716	1.0
162.09250	3.6
164.07104	1.2
165.50917	0.8
176.05656	1.8
178.08745	1.8
206.08243	6.2
208.09798	78.9
210.19266	0.9
224.09291	26.0
286.12250	1.2
296.11407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
75.62997	1.4
87.00887	12.9
87.21390	1.3
88.04031	71.2
89.02444	31.2
102.05580	1.5
107.05016	9.5
119.05025	16.7
130.05106	7.5
136.07651	7.8
162.09273	2.2
176.05589	2.7
178.08821	4.3
206.08263	4.7
208.09804	80.0
224.09288	26.2
246.37070	1.4
296.11398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26701	1.0
71.01378	31.2
72.88190	1.1
72.90075	1.2
73.28410	1.1
79.17300	1.2
82.29052	1.1
92.50663	1.3
109.05328	13.0
110.06088	6.2
111.22942	1.3
115.00360	79.4
118.68541	1.3
128.61839	1.2
180.13950	100.0
182.11929	1.6
194.15453	1.3
208.17189	1.6
252.16058	36.5
267.63684	1.4
296.06183	2.0
296.15082	71.9
296.18555	4.9
296.22983	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04316	0.8
52.09110	0.9
58.90284	0.9
76.27248	0.9
84.93870	10.8
99.91961	2.0
99.92583	45.3
99.93245	1.5
100.93357	43.2
104.75171	1.2
115.92065	54.0
116.92847	6.5
121.02914	1.4
126.98106	0.9
128.92856	13.4
151.03995	5.6
156.92325	48.3
204.96010	1.4
205.96776	28.6
206.97563	25.4
215.95364	1.1
217.96823	1.0
233.96230	2.3
234.97035	100.0
237.95818	7.5
278.96036	16.8
296.97070	6.0
297.24222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07994	0.5
57.00459	0.6
58.93797	0.6
59.01377	3.0
64.50700	0.6
72.99314	1.2
73.89458	0.7
84.93865	9.4
87.82397	0.7
89.02451	1.2
96.96982	0.7
99.92576	42.1
100.93357	36.5
115.92070	61.9
116.92845	5.5
121.02975	0.9
128.92859	11.8
135.04570	1.5
151.04004	3.1
156.92339	42.2
156.93637	1.7
172.86935	0.7
183.04568	0.7
204.96021	0.8
205.96773	25.1
206.97566	23.4
217.96721	1.3
233.96202	4.0
234.97052	100.0
237.95770	8.3
238.96687	1.2
267.06375	0.8
278.96045	16.9
278.99210	1.1
296.97159	6.3
297.11325	1.2
297.24277	1.6
303.34784	0.7
317.74820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79198	0.4
54.00935	0.5
88.81679	0.5
93.03446	29.0
99.55050	0.5
101.02364	0.5
137.02440	100.0
185.16119	0.6
187.06877	0.5
208.21564	0.6
211.50110	0.5
248.75285	0.5
297.03860	4.3
297.24323	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62675	0.4
52.11443	0.5
52.63793	0.4
55.08749	0.4
55.21562	0.4
59.01370	2.7
71.01376	1.2
75.00867	16.5
85.78033	0.5
89.02437	6.0
91.19780	0.4
95.75365	0.5
101.02437	0.7
117.01913	1.9
135.03000	100.0
135.04488	9.5
161.02435	3.8
179.03531	6.7
200.10240	0.6
211.03960	1.2
239.03490	3.5
282.55194	0.5
296.95108	0.6
297.06207	3.1
297.09882	2.1
297.24390	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32069	0.2
57.17104	0.2
59.01377	1.9
59.11435	0.3
60.56071	0.2
69.97511	0.3
71.01355	0.6
72.99291	0.6
75.00865	14.1
79.07144	0.3
80.85867	0.3
84.68450	0.3
89.02438	3.9
117.01936	2.0
128.41191	0.3
131.80644	0.3
133.02968	0.5
134.03767	0.3
135.02997	100.0
135.04483	11.3
152.94542	0.3
161.02437	4.5
179.03508	6.1
297.06143	3.5
297.24478	1.4
302.70166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28808	0.3
52.11617	0.3
55.48930	0.2
59.01385	2.7
71.01391	1.1
72.99307	0.5
75.00867	16.0
86.75208	0.3
89.02448	4.7
105.74235	0.4
115.63889	0.3
117.01929	2.3
130.60619	0.3
135.02997	100.0
135.04448	5.2
161.02444	3.2
165.05580	0.3
179.03487	4.1
217.33241	0.3
274.76831	0.3
297.06183	2.2
297.11908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17143	0.4
59.01373	3.1
69.39691	0.4
71.01385	2.0
72.99300	0.9
74.06355	0.4
75.00869	21.4
82.22736	0.4
86.75901	0.4
87.04517	0.6
89.02422	5.0
101.02435	0.6
109.01674	1.0
110.02460	0.7
111.02796	0.8
113.02437	0.9
116.77967	0.4
117.01957	3.1
125.02415	0.5
135.03000	100.0
135.04483	10.2
137.02377	1.3
158.28430	0.4
161.02469	5.5
179.03516	7.3
181.07112	0.9
192.52527	0.4
225.07697	1.0
261.06067	2.5
279.07047	1.8
297.05991	3.7
297.13947	3.1
297.24435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
59.55206	0.3
60.85379	0.3
71.01393	0.7
72.99305	0.4
73.02903	0.3
75.00872	17.0
80.71684	0.4
82.32002	0.3
89.02430	4.0
117.01923	2.1
130.62733	0.4
135.03006	100.0
135.04480	8.1
161.02423	4.3
168.86871	0.4
179.03522	6.1
215.92099	0.4
255.65726	0.4
297.06216	3.7
297.13379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
197.09676	0.8
213.09061	0.4
223.07704	0.4
225.05525	0.7
225.09283	0.8
238.06261	0.8
239.07147	1.9
241.08772	3.5
251.07083	0.8
253.05054	1.7
269.08340	0.8
280.07434	0.4
282.05402	0.8
297.07700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.19182	0.8
71.01365	0.9
83.27271	0.8
88.68187	0.8
89.83735	0.8
108.35405	0.9
136.01559	0.8
138.44606	0.9
183.01234	1.0
197.69632	0.9
225.05580	64.3
242.09227	0.9
248.55051	0.9
253.05080	98.9
254.05812	15.7
278.33060	1.0
279.19534	0.9
282.05359	76.1
297.07703	100.0
297.15063	9.1
297.20975	2.1
297.24356	32.4
313.35928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0772
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
58.02974	0.9
58.71968	1.0
59.01340	1.1
60.04786	0.8
64.08434	0.8
68.34447	0.8
76.22909	0.7
79.14235	0.8
80.13213	0.9
92.23167	1.1
225.05583	51.9
225.07739	1.7
233.15474	1.2
253.05083	73.2
254.05879	15.5
267.03021	21.6
279.25385	1.3
282.05356	36.5
297.07751	100.0
297.11639	15.2
297.21063	1.9
297.24255	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0771
Annotation	3-Hydroxy-3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
59.01415	1.0
69.79308	0.8
74.87458	0.8
79.12318	0.9
80.82063	0.9
101.92094	0.8
192.09552	0.8
225.05606	54.7
239.03531	6.0
253.05081	78.4
253.47519	1.0
254.05869	16.9
262.43561	0.9
267.02985	12.6
282.02332	2.4
282.05377	73.4
297.04422	3.4
297.07703	100.0
297.17017	1.6
297.24298	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
52.66358	0.3
59.77691	0.3
103.29576	0.3
106.00639	0.3
111.02087	0.3
128.97310	0.3
135.91060	0.3
167.04956	0.5
167.06139	4.6
197.07220	0.4
210.03148	0.7
211.04007	1.4
223.04063	2.6
223.08803	4.2
226.02742	0.6
226.06296	0.7
235.08746	1.5
239.03529	6.1
241.05086	0.7
253.09854	6.7
254.05931	0.6
267.03003	91.4
281.04633	0.8
282.05353	100.0
296.72357	0.4
297.07690	78.7
297.24319	1.7
306.33057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0771
Annotation	7-Hydroxy-3',5'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
51.78077	0.3
52.32565	0.4
59.01382	0.8
65.07912	0.5
69.74435	0.4
69.74880	0.4
71.01392	0.4
74.36488	0.4
92.02679	0.6
92.22549	0.6
101.02454	0.9
108.02206	4.0
114.05627	4.3
118.32453	0.4
121.02911	0.7
136.01660	100.0
137.02443	25.9
137.03508	0.9
138.09227	1.8
145.50648	0.4
146.03752	2.5
155.02336	0.4
161.02458	2.8
161.06075	2.9
163.06093	1.1
182.08232	5.9
187.53246	0.4
214.79466	0.5
253.05199	0.5
267.06824	0.7
282.05411	0.8
297.04294	0.9
297.07642	13.7
297.14374	1.0
297.24432	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0827
Annotation	1-Methylxanthosine
Peak:m/z	Relative Intensity
57.22574	1.0
58.66595	0.9
59.01379	43.4
68.97697	1.0
69.33739	0.8
70.27859	0.8
71.01374	19.6
72.99303	3.8
73.02945	3.8
74.18288	0.8
75.00862	17.2
76.57416	0.9
78.95903	1.9
83.01397	1.4
85.02942	6.7
87.00871	3.8
89.02436	36.6
96.96973	1.7
99.00906	1.4
101.02430	20.6
113.01763	1.0
113.02419	9.0
117.01937	1.9
119.03487	10.0
129.01897	1.6
131.03476	1.3
149.04544	1.1
159.85214	1.0
181.07210	3.6
191.08302	1.3
207.05161	4.7
237.06151	1.1
277.70090	1.0
278.87155	18.5
296.88135	2.2
297.08304	100.0
297.11307	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87493	16.9
70.44930	14.9
110.67500	19.1
135.04509	28.3
157.03131	19.0
161.88142	17.1
172.09634	19.6
210.52486	18.3
297.13538	22.2
297.24359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
52.04858	0.7
54.28025	0.9
60.64404	0.8
63.84718	0.9
65.60917	0.8
71.97585	0.8
76.13650	0.9
115.54781	1.0
122.03734	3.7
137.02461	1.0
149.02429	1.5
150.03224	56.6
163.03960	1.8
177.01924	1.0
178.02721	89.0
191.03543	1.9
193.05179	1.9
210.01711	6.1
235.14299	1.2
239.68799	0.9
254.09607	8.9
281.08176	1.8
282.09024	19.6
297.11343	100.0
297.23260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1133
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
79.01885	1.1
88.21223	0.6
105.99278	0.6
119.05007	3.5
122.03744	2.5
122.63470	0.5
125.06054	3.1
126.71164	0.5
131.15128	0.5
137.02429	0.7
140.91283	0.6
149.02377	0.9
149.06076	5.1
150.03218	27.5
163.03981	0.8
165.62357	0.6
178.02715	54.3
191.03491	0.7
193.05037	7.7
210.01717	1.3
212.08423	4.6
226.10092	0.6
240.07898	6.6
253.08708	0.8
254.09532	5.0
255.10339	7.7
281.08145	5.0
282.08899	8.1
297.11337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.6
64.88504	0.6
65.15916	0.6
71.01376	29.3
72.99309	1.0
73.02927	5.8
74.51031	0.7
75.00866	18.2
80.59958	0.7
83.01384	1.4
85.02930	6.7
87.00857	1.7
89.02438	52.2
95.01372	1.6
99.00863	1.1
100.93343	1.5
101.02438	23.7
109.01682	1.4
110.02503	1.2
111.02859	0.8
113.02443	15.7
117.01965	1.2
117.05579	0.9
119.03481	17.8
131.03510	1.7
135.02995	100.0
135.04443	6.1
135.06631	19.3
143.03493	3.7
151.05119	1.2
156.92313	0.9
161.02461	3.6
161.04543	8.4
167.04601	1.2
179.03581	3.3
179.05597	10.6
180.06721	1.2
181.07010	1.8
234.97101	1.8
261.05972	4.5
279.06979	1.7
297.06479	1.6
297.11932	46.4
297.24405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26598	1.1
57.36176	1.2
59.01382	100.0
71.01379	62.7
71.01773	1.8
73.02944	6.9
75.00875	16.1
83.01370	1.6
83.28260	1.4
85.02937	10.3
87.00874	1.8
89.02441	87.3
95.01379	3.5
101.02446	44.1
104.18851	1.3
113.02446	32.3
117.01963	1.9
119.03482	29.9
135.03008	74.5
135.04517	3.3
135.06635	37.9
143.03482	6.9
151.05145	1.8
159.03027	1.8
161.02470	2.6
161.04596	10.9
179.05618	25.8
181.15727	1.5
191.07159	2.0
205.94859	1.5
237.84862	1.9
253.07544	1.4
253.64117	1.5
297.06332	6.2
297.11932	96.1
297.24371	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.7
58.88519	1.0
59.01383	81.2
64.84771	1.1
67.43810	0.9
70.58955	1.1
71.01379	43.3
73.02933	6.6
74.57104	1.0
83.01389	1.6
85.02959	14.3
87.00848	1.3
89.01877	2.1
89.02436	63.4
89.98902	1.1
91.21243	1.1
95.01380	1.9
99.00887	1.5
101.02441	45.3
113.02446	26.9
119.03497	30.7
131.03488	2.4
135.06645	31.1
143.03513	2.0
145.37173	1.1
149.04527	1.3
161.04565	15.4
179.05629	16.4
297.11917	100.0
297.24399	1.2
319.63684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25884	0.5
61.81726	0.5
70.35867	0.4
102.74854	0.5
106.06639	3.3
134.06120	100.0
136.07678	45.9
151.04712	0.5
171.12817	0.5
184.46596	0.6
261.18396	0.6
269.13049	0.8
282.10022	1.1
297.12476	53.7
297.21075	1.8
297.24402	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12410	0.8
65.22686	0.6
72.99297	7.1
75.00867	100.0
85.52862	0.8
95.00862	0.8
98.08198	0.9
101.35423	0.7
135.03023	5.2
179.10793	3.1
206.09489	4.1
221.11807	13.5
271.32745	0.7
297.13470	59.1
297.24426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Tehranolide
Peak:m/z	Relative Intensity
54.76252	1.0
72.99294	11.9
73.02964	1.1
73.47661	1.0
75.00865	100.0
123.08185	2.0
147.01624	1.1
149.09714	50.1
179.10719	2.4
206.09549	1.8
208.89444	1.2
221.11833	17.3
236.81505	1.1
297.13446	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Tehranolide
Peak:m/z	Relative Intensity
59.54716	0.7
72.99306	8.3
75.00863	100.0
81.05398	0.9
123.04497	1.5
135.04501	4.9
179.10701	3.5
206.09456	3.6
209.69035	0.9
221.11824	12.7
274.62454	0.9
282.12915	0.9
297.13446	90.6
297.24335	1.5
299.18164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1346
Annotation	Tehranolide
Peak:m/z	Relative Intensity
61.11229	0.5
62.54040	0.4
72.99316	5.7
75.00866	100.0
123.04517	1.2
135.46687	0.6
165.09238	0.9
179.10774	3.0
181.05025	0.6
203.10722	0.7
206.09503	3.2
221.11856	11.5
255.63225	0.6
276.83759	0.6
297.06262	2.5
297.10162	2.7
297.13443	56.2
297.24258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
62.07679	0.7
63.55655	0.7
72.99306	6.2
74.59196	0.9
75.00868	100.0
90.66657	0.8
92.23206	0.8
97.81185	0.8
123.04494	0.9
135.04495	3.1
149.02391	0.9
151.07669	0.9
161.09747	0.9
165.09064	0.9
179.10719	4.0
205.90796	0.9
206.09410	4.5
208.34303	0.9
221.11847	14.5
297.10059	4.3
297.13431	63.2
297.24323	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94072	0.3
79.95755	0.5
116.05081	0.4
121.21249	0.3
142.37555	0.3
151.74335	0.3
170.00363	0.5
183.01213	21.4
225.05484	0.7
251.23637	0.3
253.05087	2.5
267.03009	0.4
279.19717	1.4
279.23166	0.7
282.05301	1.7
297.08438	2.5
297.15317	100.0
297.20801	3.3
297.24329	35.6
316.57773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06095	0.3
59.01383	0.4
79.95716	0.3
84.67957	0.3
92.01924	0.3
162.53667	0.4
170.00510	0.5
178.96449	0.3
183.01225	19.4
197.02800	0.5
198.03622	0.4
212.05112	0.3
225.05640	3.4
227.07281	0.3
233.19023	0.3
235.12404	0.3
253.05087	4.6
254.05844	0.5
279.19800	0.5
282.05386	3.4
282.08359	0.5
297.08197	4.6
297.15335	100.0
297.24326	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45612	0.7
59.01383	1.0
62.41407	0.7
74.13869	0.7
77.59261	0.7
85.60934	0.7
92.23137	0.9
98.66237	0.7
103.50414	0.9
107.51449	0.8
109.69179	0.7
123.82034	0.8
125.45901	0.8
140.60527	0.7
166.44534	1.0
171.80556	0.8
183.01213	16.5
282.05402	1.2
297.15317	100.0
297.20786	2.8
297.24350	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1706
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
51.04919	1.3
59.01376	6.0
62.41645	1.4
63.20707	1.3
71.01372	2.9
72.24706	1.3
72.99297	2.2
75.00867	36.3
92.85876	1.5
126.02461	1.4
147.10536	1.3
185.68172	1.6
191.14436	2.0
196.72711	1.7
209.19205	1.5
210.70920	1.8
222.30489	1.5
235.17195	2.9
253.18106	67.4
279.16040	8.2
279.19693	2.3
297.17102	100.0
297.20569	3.6
297.24295	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2073
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
50.69159	0.8
51.14605	0.9
51.26381	1.0
57.18213	1.1
63.81378	1.1
73.13673	1.0
91.72710	1.0
112.77633	1.2
124.06535	1.1
125.09718	2.5
153.12817	1.1
153.37701	1.2
154.09964	4.1
163.11299	7.6
164.90562	1.1
182.13133	1.7
183.01210	6.1
184.02071	4.9
192.27049	1.2
225.05606	25.9
235.20689	8.4
250.48813	1.1
253.05083	41.7
254.05881	7.5
279.19687	90.0
282.05341	31.4
297.07782	43.8
297.15384	87.0
297.20813	100.0
297.24408	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2074
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
51.06122	1.2
62.19912	1.5
65.26321	1.7
71.40895	1.4
71.86507	1.6
80.59908	1.6
85.06598	1.9
86.84895	1.5
89.02424	1.9
92.67747	1.6
96.50072	1.7
113.09702	2.0
115.07684	2.3
125.09719	8.5
140.00525	1.7
171.10260	23.2
183.10323	2.6
183.13965	2.1
195.53954	1.7
197.11870	3.8
211.13416	12.3
227.10783	2.5
273.11789	1.8
279.19678	14.2
279.22934	1.9
297.15186	9.8
297.20728	100.0
297.24313	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79426	0.6
55.60247	0.7
73.17944	0.7
89.95110	1.0
156.11174	1.3
171.10254	5.2
172.10582	7.5
173.10718	7.0
183.10287	2.0
184.10594	8.7
185.10783	11.3
277.21780	1.3
279.22394	33.4
297.23428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00655	0.6
62.31312	0.4
65.70955	0.5
76.31723	0.5
78.95332	0.5
106.61506	0.5
113.09711	2.7
158.48090	0.5
167.14488	0.5
183.13875	5.9
185.11835	6.5
199.13506	0.6
279.23300	14.4
295.22845	1.1
297.24362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33885	0.7
85.89330	0.9
105.71768	0.8
114.65518	0.8
139.11263	1.1
171.10225	1.1
206.08615	0.8
253.25418	2.0
279.23160	6.3
297.18915	2.9
297.24374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10316	0.4
59.01379	0.9
62.16900	0.5
71.21758	0.4
73.71303	0.5
88.22964	0.5
90.09347	0.5
90.34826	0.5
103.60290	0.6
127.11320	1.0
141.12918	0.8
155.10773	2.7
161.58075	0.5
167.14368	1.0
171.10297	1.1
241.86462	0.6
269.24893	0.7
279.23285	5.1
280.97656	0.6
297.24359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
53.48595	0.4
57.37502	0.4
85.06587	0.6
87.67387	0.5
88.11044	0.4
109.96000	0.5
197.15495	0.5
279.23303	5.5
295.22650	0.9
297.24374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01389	1.1
62.11957	0.8
68.26131	0.9
71.05003	9.4
77.22559	1.2
97.24394	1.0
153.13206	1.1
155.10826	1.1
225.22214	1.8
251.23885	5.2
253.25404	24.0
279.23276	10.0
297.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2432
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.20374	0.5
56.54432	0.4
58.94663	0.4
59.01377	0.7
65.21826	0.4
68.74883	0.4
70.56551	0.4
79.95737	9.3
96.90582	0.5
115.21219	0.4
141.99222	0.5
155.10765	2.8
171.10269	3.0
253.25511	0.6
261.22241	0.7
279.23312	10.5
297.07755	4.5
297.15918	2.1
297.24353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	2-Oxooctadecanoic acid
Peak:m/z	Relative Intensity
52.53756	0.9
60.39750	1.0
83.05000	1.1
83.34355	1.1
109.30179	1.0
131.17166	1.0
133.26242	1.0
140.75470	1.1
160.77873	1.2
206.11908	1.1
222.53761	1.1
225.22287	1.4
251.21304	1.3
251.23824	11.8
253.25365	74.6
279.23245	1.5
297.07721	4.6
297.24365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41369	0.6
65.16608	0.5
73.11954	0.4
74.17535	0.5
87.79634	0.5
133.76944	0.5
140.61823	0.5
157.08679	9.8
169.12372	5.7
186.08292	0.5
261.22214	0.8
279.23297	24.2
295.22617	0.7
297.24374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55684	0.5
54.68152	0.5
58.58440	0.5
66.16406	0.5
67.17628	0.5
81.76567	0.6
85.05585	0.6
117.37597	0.6
127.11256	2.5
151.16356	0.6
171.10269	13.3
255.29340	0.7
279.23312	19.2
295.22675	1.0
297.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23003	0.5
53.11294	0.5
53.94286	0.5
57.13759	0.6
65.46040	0.6
94.58013	0.7
106.66817	0.7
106.87461	0.6
127.44119	0.6
141.12868	1.0
147.93289	0.6
155.10779	14.3
261.22314	1.0
279.23306	18.2
295.22754	1.2
297.24365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.66894	0.4
52.09584	0.5
71.34535	0.4
74.18489	0.4
76.56208	0.4
117.44792	0.4
127.11304	0.6
139.11278	0.7
155.10703	0.7
155.14384	0.6
171.10292	3.5
207.27831	0.5
228.43517	0.6
253.25418	2.1
279.23367	6.5
290.15979	0.5
297.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.15064	0.6
64.35117	0.6
74.57575	0.7
90.04629	0.8
131.54105	0.9
140.77621	0.7
155.10767	4.1
171.10300	6.1
171.42451	0.7
176.06575	0.7
178.11346	0.8
217.61653	0.9
219.05688	0.7
277.25006	0.7
279.23334	10.4
297.24377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.68970	1.1
59.01382	100.0
61.36312	0.9
64.46427	0.9
77.61269	1.0
98.82462	1.3
105.25386	1.4
108.12188	1.1
114.03343	1.0
140.39691	1.1
203.89313	1.1
286.64551	1.2
297.24387	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.06773	0.5
63.65201	0.5
64.07265	0.5
71.76521	0.5
76.69061	0.5
106.73759	0.6
118.85626	0.7
119.86341	0.7
135.69339	0.6
192.17661	0.7
251.21193	1.4
251.23816	44.9
279.23257	1.0
295.22711	0.8
295.81055	0.6
297.24368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.76922	0.5
54.76056	0.5
60.20392	0.5
61.68320	0.7
106.76462	0.7
127.11299	0.9
134.08342	0.9
141.12851	0.7
155.10777	3.2
158.56799	0.7
171.10287	9.8
248.12877	0.7
257.15417	0.8
272.17728	0.7
279.23315	18.0
297.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78534	0.5
57.60091	0.5
59.01390	0.6
60.10311	0.6
109.77802	0.7
114.07644	0.6
164.24306	0.7
165.83725	0.6
169.12335	8.8
183.13828	0.7
225.05597	2.8
253.05127	4.0
254.05948	0.7
279.23306	19.8
282.05402	3.6
297.07697	5.9
297.24396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.18184	0.5
59.02832	0.5
60.76865	0.5
126.48469	0.6
141.12811	1.0
155.10780	9.7
171.10284	6.7
183.01199	6.1
257.80890	0.6
279.23325	18.2
295.22708	0.8
297.15359	25.6
297.24368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.28
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
55.09645	0.7
64.12660	0.8
74.13515	0.7
128.91896	0.7
159.91673	0.8
200.66539	0.8
297.24435	12.8
297.27957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.28
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
72.25815	0.3
97.79274	0.3
110.29768	0.3
110.37467	0.3
110.91898	0.3
114.19933	0.3
130.83066	0.3
195.95503	0.3
195.98085	0.3
220.27971	0.3
297.28009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34094	0.6
52.89052	0.7
54.40682	0.6
55.21877	0.6
65.44626	0.7
79.95744	7.8
96.95994	0.7
102.43177	0.8
125.91361	0.7
148.34169	0.8
156.42758	0.8
180.17125	0.7
200.57921	0.7
250.11288	0.7
297.16357	3.7
297.24454	11.4
297.27975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94094	0.6
56.88758	0.6
58.84718	0.6
71.01384	4.5
72.16097	0.7
76.97846	0.8
88.04036	62.3
96.96003	33.1
99.74660	0.8
101.02428	0.8
103.77406	0.7
127.20373	0.8
129.01903	1.9
146.08232	23.0
150.05602	4.5
181.01785	1.4
218.08281	1.4
218.10341	33.6
234.07808	1.2
280.08298	6.7
298.06049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47935	0.2
59.01381	0.6
71.01378	6.0
71.05019	1.6
71.33227	0.2
80.34507	0.2
88.04034	64.6
96.96002	39.1
99.04556	0.3
99.41535	0.3
105.52211	0.3
116.07188	0.4
137.82645	0.3
146.08231	25.9
150.05595	1.2
181.01724	2.0
218.10339	40.1
222.54790	0.3
226.03975	1.1
298.06039	100.0
299.79132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0604
Annotation	Phosphamidon
Peak:m/z	Relative Intensity
55.10260	0.6
70.79420	0.5
71.01384	4.6
72.47933	0.7
78.01289	0.6
88.04034	60.8
96.96001	30.4
106.40559	0.6
146.08226	25.5
174.87651	0.6
181.01689	1.2
188.31427	0.7
203.25966	0.7
218.10341	36.7
226.03810	0.8
298.06052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45046	0.7
55.04762	0.7
59.85811	0.6
71.01385	5.4
71.04995	0.9
76.47119	0.7
88.04037	62.9
96.96006	35.0
99.35885	0.9
146.07089	1.1
146.08237	25.7
166.08659	0.7
177.65630	0.8
218.10353	39.6
226.03819	0.8
298.06058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0725
Annotation	Marshdine
Peak:m/z	Relative Intensity
50.18482	0.6
51.00353	0.7
53.44620	0.6
57.02655	0.6
58.30709	0.7
70.25230	0.8
79.06419	0.7
116.04380	0.7
116.18829	0.7
168.04677	0.9
170.82990	0.9
194.66957	0.9
196.04001	3.0
224.03516	3.7
238.02710	12.6
240.03110	3.9
253.05022	5.1
255.05408	3.0
268.02530	51.7
271.06223	3.3
282.04184	1.3
283.04895	100.0
298.07257	88.0
298.20309	0.8
298.24609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
69.85768	1.5
71.35970	1.5
74.18900	1.5
89.02434	3.6
96.58248	1.8
99.66547	1.8
101.02444	1.7
118.01461	100.0
141.17052	1.8
153.74234	1.8
221.54359	1.9
227.13152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.6
70.29311	1.4
86.02604	1.7
117.37063	1.8
125.77567	1.6
146.45776	1.6
155.39438	1.8
182.07002	2.1
183.01163	13.0
184.01500	8.4
214.10928	2.0
225.05577	9.3
226.05922	58.8
253.05107	9.8
254.05418	77.5
255.06227	13.8
281.21164	2.2
282.05356	2.5
283.00818	1.9
283.05692	55.9
298.08054	75.9
298.15643	100.0
298.20889	2.7
298.24570	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80834	1.0
61.51445	1.1
63.04589	1.1
88.37372	1.0
96.00896	12.0
105.99377	1.8
116.05042	1.6
121.00367	1.5
122.90593	1.4
139.01472	1.3
143.06152	37.4
151.05751	1.3
152.55818	1.2
167.06143	1.4
168.04527	5.4
180.04474	4.8
186.05595	2.1
195.05640	91.8
204.96901	1.4
210.05618	2.2
211.05130	8.9
223.05141	84.0
223.07349	2.9
236.04643	1.8
238.06247	35.5
266.05731	100.0
290.58273	1.4
298.08310	2.7
298.24832	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43586	0.6
76.58747	0.6
82.02954	0.8
85.02945	15.2
86.02490	1.3
98.02457	1.3
100.04027	1.2
101.02446	11.0
109.02950	2.6
110.02471	0.7
123.04507	4.0
128.03528	4.3
129.01933	59.6
146.04601	5.9
148.04007	1.8
149.04803	0.9
150.05598	48.4
164.04642	0.8
170.04616	0.8
176.03462	2.9
176.04823	1.4
189.05643	0.7
191.07098	1.5
193.21526	0.8
206.08229	1.0
216.06657	0.9
218.08199	1.0
234.07745	14.1
262.07199	1.4
277.49301	0.9
280.08289	100.0
283.78534	0.7
298.06509	1.0
298.09341	9.3
298.24466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27745	0.7
72.99316	1.8
78.95876	0.8
84.04552	1.1
85.02959	13.4
91.20020	0.7
96.96960	4.6
98.02466	0.9
98.97401	1.7
100.04037	1.8
101.02442	9.1
109.02928	2.6
110.02536	1.0
123.04517	4.6
128.03549	3.9
129.01945	47.9
129.93947	0.7
133.02989	1.2
135.04550	1.5
145.43475	0.7
146.04614	7.3
148.04086	1.6
150.05608	46.3
176.03502	2.9
179.03561	1.1
188.05678	0.9
191.07216	1.3
197.04608	1.8
200.07208	0.9
206.15292	0.7
218.08160	1.2
234.07695	13.7
262.07352	1.1
280.08298	100.0
298.09277	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83939	0.6
63.95734	0.7
66.02518	0.8
80.64216	0.7
82.02978	1.0
84.04552	1.2
85.02952	11.2
86.02450	1.1
100.04061	1.3
101.02439	8.5
102.75826	0.7
109.02913	1.7
114.01970	0.7
121.05883	0.8
123.04506	4.0
128.03529	3.2
128.68733	0.9
129.00955	1.5
129.01939	46.5
129.63774	0.8
146.04591	4.9
147.04530	1.7
148.04091	1.3
150.05608	43.6
164.04669	1.3
170.04610	0.9
176.03484	1.3
176.04832	1.2
216.06728	1.0
232.92116	0.8
234.07713	11.3
239.07175	4.9
262.07169	1.5
280.08307	100.0
298.09427	10.1
298.14508	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43707	0.8
56.49094	0.8
64.10331	0.9
79.39039	1.1
85.02937	13.0
86.02468	1.0
100.04028	2.2
101.02442	11.9
123.04507	4.7
128.03557	4.1
129.01932	51.0
146.04565	5.5
147.04567	1.6
148.04012	2.2
149.38370	1.0
150.04393	1.7
150.05608	52.3
176.03535	1.2
176.04857	1.4
191.07166	1.3
200.07103	1.9
225.30864	0.9
234.07724	15.0
237.41426	1.0
239.06981	1.3
247.69016	1.1
253.17117	1.0
262.07349	1.3
269.08594	1.1
280.08289	100.0
298.09540	10.3
298.14410	5.4
314.96289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
50.48480	0.5
56.73787	0.7
76.61621	0.6
102.10428	0.8
107.01373	1.1
133.02942	1.3
140.81587	0.7
143.05031	0.9
151.00365	3.7
171.04559	3.7
175.04008	1.8
199.03992	8.9
201.01967	1.7
211.14482	0.8
215.03519	3.2
227.03513	6.7
243.02971	7.6
269.00922	1.2
271.02505	100.0
284.03268	12.4
299.02042	82.7
299.05652	9.8
299.15521	1.0
306.76361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56213	1.1
63.47713	0.9
65.00339	1.5
65.86440	1.1
72.99299	1.4
75.00886	6.3
80.96507	2.0
81.03459	1.6
83.01385	1.6
83.05092	1.3
85.02976	1.3
88.61723	1.2
92.99824	6.4
95.04963	1.3
96.95948	1.9
99.00878	6.0
109.02952	10.0
111.50167	1.2
114.05584	1.2
123.00868	5.9
125.02443	38.3
127.00349	4.8
129.34052	1.3
137.02472	2.5
139.03999	2.8
149.99605	7.5
151.04056	1.9
152.98222	1.4
153.01933	9.1
164.98337	11.5
165.01906	16.6
167.03523	2.2
179.03554	2.0
179.61052	1.2
181.01477	5.8
183.02989	7.3
193.01439	1.8
195.02910	1.9
196.03815	15.6
197.00909	6.7
197.26662	1.3
202.41411	1.3
208.00102	6.0
211.02483	9.7
211.06143	1.3
212.03288	5.4
223.02701	1.7
225.00461	1.6
239.01997	13.1
240.02888	3.5
243.05139	6.6
267.01477	2.1
271.04565	6.3
299.04141	100.0
299.11420	8.3
299.14935	1.6
302.50681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
59.01377	0.7
65.00333	2.5
92.23140	0.5
95.01370	4.4
97.02962	1.1
104.26913	0.4
112.51670	0.4
114.57380	0.4
117.03493	0.6
121.02940	1.8
124.01636	0.6
130.12946	0.4
133.02959	8.1
139.04008	4.9
143.84979	0.4
148.01570	0.5
159.00832	0.5
165.01912	17.3
176.01144	41.7
181.08656	0.7
191.03510	25.4
192.00641	8.4
195.04562	0.5
197.02475	0.9
201.01976	0.7
207.02994	39.5
211.03970	0.8
212.04805	2.6
216.04175	0.6
222.03246	0.5
223.03973	0.9
227.03505	2.6
228.04330	2.8
229.01543	0.6
235.02486	1.8
239.03491	2.9
240.04282	12.6
242.02248	0.8
243.06529	0.6
255.02991	0.9
255.06616	2.0
256.03799	7.3
257.04495	0.9
263.12686	0.5
266.02225	1.0
267.02997	2.1
271.06149	6.7
281.04547	4.5
282.05341	12.5
283.02563	3.1
283.99792	2.5
284.03210	16.1
299.05621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23039	0.5
57.28430	0.5
59.01385	1.0
65.00305	0.9
72.99299	0.6
75.00867	1.0
105.06942	0.6
124.68711	0.7
136.98814	10.0
155.20863	0.8
174.17856	0.7
186.03268	0.9
197.11806	0.9
200.04791	1.0
211.13364	0.6
211.16997	1.2
212.04855	4.3
223.13454	1.1
227.03513	1.2
227.07056	0.9
228.04395	2.5
237.14937	1.1
240.04262	5.0
243.11420	1.1
250.01418	0.7
253.09781	1.1
255.03050	1.1
255.16211	1.2
256.03729	3.2
271.02405	0.7
283.02609	3.6
284.03284	97.6
299.05637	100.0
299.14938	7.7
299.18646	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01145	0.6
59.01384	0.8
67.65922	0.7
78.95938	0.9
101.03127	0.7
116.70452	0.7
147.04651	1.0
166.81551	0.8
175.03981	1.5
185.02431	45.7
203.03499	3.4
213.01942	100.0
217.04990	1.3
225.01886	1.0
228.04353	4.2
229.01274	1.0
241.01431	51.0
256.03784	23.6
269.00967	18.1
284.03271	89.6
289.08203	0.8
299.05624	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0565
Annotation	Koparin
Peak:m/z	Relative Intensity
58.74283	0.4
59.01377	1.0
77.03963	0.5
82.33646	0.4
89.17635	0.4
93.03453	0.8
111.08125	0.5
121.02952	2.3
123.04527	0.7
123.65047	0.4
133.02951	0.5
154.09740	0.4
159.04536	0.8
165.01935	1.1
177.01970	2.4
187.03992	0.5
199.07710	1.9
199.13441	0.7
209.06079	0.5
211.04054	0.6
217.00179	0.6
225.05713	2.1
227.07175	1.9
241.05087	1.9
243.06607	10.1
253.05034	1.7
254.05927	0.9
255.06720	0.8
257.08258	0.5
271.06274	3.2
271.09497	0.5
281.04468	1.7
284.03030	0.7
299.05652	100.0
299.18732	2.1
299.25842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Koparin
Peak:m/z	Relative Intensity
56.91398	0.4
59.01382	2.1
59.47442	0.4
59.59641	0.4
67.90310	0.6
89.50317	0.5
105.68073	0.5
110.46381	0.5
112.48296	0.5
121.75365	0.4
136.01553	0.6
137.02393	0.8
153.05626	0.6
181.06627	0.9
199.07704	4.2
209.06046	2.5
217.00313	2.8
225.05595	2.8
227.07123	3.6
237.05580	0.7
240.04465	0.6
243.06619	0.7
253.05054	6.5
281.04675	1.0
299.05640	100.0
299.18793	1.2
299.22321	1.0
299.25845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	(+)-6a-Hydroxymaackiain
Peak:m/z	Relative Intensity
52.92378	0.5
53.10820	0.5
54.16481	0.5
54.24749	0.5
59.01387	3.1
59.74027	0.6
59.82974	0.6
67.37072	0.8
101.32740	0.6
138.03218	7.6
149.02599	0.7
153.05577	24.7
153.06870	1.1
165.01901	0.9
165.07047	0.7
171.08279	0.9
176.01154	0.8
179.15233	0.7
181.06700	2.7
193.01434	1.1
193.06590	2.5
197.06126	1.6
208.05270	1.2
209.06073	12.9
210.03276	2.8
217.00317	1.6
223.04051	0.9
225.05573	23.3
236.30887	0.8
237.05637	6.1
253.05075	48.4
255.10255	0.9
265.49371	0.7
267.58295	0.7
269.04691	1.5
281.04584	100.0
299.05722	72.0
299.09277	14.9
316.31427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93344	0.3
64.75749	0.3
67.60480	0.3
71.01374	1.5
75.92055	0.3
78.08350	0.3
85.02940	0.4
93.03448	36.9
101.02429	0.6
103.89445	0.4
113.02456	0.6
137.02441	100.0
159.80203	0.3
184.90437	0.3
220.22250	0.4
299.07834	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27662	0.2
59.01379	0.2
64.08743	0.2
71.01368	1.7
72.34785	0.2
73.02939	0.4
76.34530	0.2
83.72507	0.2
85.02937	1.0
93.03446	39.5
101.02422	1.0
113.02452	0.8
137.02438	100.0
161.04601	0.3
181.05104	0.3
211.06082	0.3
214.34372	0.2
220.31844	0.2
221.09236	0.2
293.20386	0.2
299.07834	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.85976	0.3
59.01396	0.3
64.39718	0.3
71.01382	2.0
73.60941	0.3
85.02957	0.5
92.23160	0.4
93.03449	37.2
101.02457	0.7
102.36123	0.4
137.02448	100.0
140.77945	0.3
148.01703	0.3
171.42247	0.4
299.07831	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60505	0.3
59.01395	0.2
59.54402	0.2
62.39711	0.2
95.35515	0.3
108.02214	0.5
133.56831	0.3
137.02448	100.0
143.35478	0.3
148.77467	0.3
172.02177	0.3
175.19472	0.4
213.60706	0.3
252.87157	0.3
299.07788	2.1
318.75531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99618	0.2
57.66660	0.2
69.42397	0.2
84.27094	0.2
84.27641	0.2
93.03436	1.0
108.02105	0.3
122.70708	0.2
136.01675	1.4
137.02446	100.0
155.65103	0.2
180.55769	0.2
237.96155	0.3
299.07767	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93343	0.6
59.01384	6.4
66.64115	0.8
68.29926	0.8
71.01381	4.6
73.02938	0.9
74.99078	1.2
75.00849	0.9
85.02923	1.5
86.93040	0.7
89.02436	3.4
93.03452	41.5
100.11392	0.7
101.02426	3.2
113.02456	1.9
119.03441	1.1
119.05006	1.9
119.80003	0.7
123.04547	1.0
137.02446	100.0
137.06091	4.0
181.05069	1.2
188.28111	0.8
204.75945	0.9
222.10745	0.7
237.04066	0.8
246.99153	0.8
299.07852	4.6
299.11456	1.7
299.15039	3.6
323.45734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01383	4.2
59.80641	0.6
66.62282	0.7
71.01381	3.0
71.21864	0.6
85.02962	0.9
89.02443	1.3
93.03450	40.0
101.02433	3.1
113.02479	0.8
126.14699	0.8
135.03012	3.4
136.03410	0.8
137.02444	100.0
172.64998	0.8
173.99323	0.8
179.14128	0.7
257.98694	0.8
293.39566	0.8
299.07623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62878	0.4
59.01373	2.0
59.66980	0.4
60.86197	0.4
69.61727	0.4
71.01382	2.6
73.02956	0.5
77.45862	0.3
80.20979	0.4
85.02948	0.8
89.02394	0.7
89.66077	0.4
90.65507	0.3
93.03448	37.4
101.02454	0.4
113.02428	0.5
136.01645	0.6
137.02444	100.0
150.61884	0.4
161.04691	0.4
175.17061	0.4
179.03539	5.0
209.04604	0.9
216.58614	0.5
239.05635	3.7
273.95782	0.5
299.07797	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36429	0.4
53.80602	0.3
55.02427	0.3
55.50922	0.5
71.01369	2.1
71.33640	0.4
85.02960	0.7
93.03448	36.2
101.02400	0.6
137.02440	100.0
183.67537	0.4
299.07846	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73948	0.3
54.81792	0.3
59.01388	0.6
59.79066	0.2
63.20895	0.2
64.33931	0.3
68.05256	0.2
69.28206	0.3
70.53246	0.2
70.59591	0.3
71.01391	2.4
71.01735	0.2
73.02934	0.4
74.99099	1.2
79.90579	0.2
83.82059	0.3
85.02946	1.4
87.10755	0.3
93.03453	36.5
101.02448	1.4
113.02430	1.4
136.05296	1.2
137.02451	100.0
175.02277	1.3
193.03302	0.5
211.04366	0.5
299.07956	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49157	7.4
57.70100	7.8
57.77427	7.3
58.57883	7.9
75.04645	8.5
108.76306	9.1
136.23131	8.3
137.02458	100.0
159.63705	8.6
180.18535	9.3
201.69370	8.9
299.09113	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Plicatol A
Peak:m/z	Relative Intensity
59.01384	1.8
59.07992	0.9
71.29809	1.0
74.12597	0.9
79.88405	0.9
88.04040	2.5
111.08129	1.1
143.07137	1.3
146.52728	1.1
147.00874	43.0
148.01653	29.3
162.03220	81.4
163.03989	4.2
169.04208	1.0
210.11406	1.9
211.17189	1.3
213.05695	1.3
225.05666	1.5
240.04305	1.8
241.05083	4.4
253.05061	11.6
266.55939	1.3
267.06665	18.7
269.04599	35.0
283.06085	15.2
284.06900	15.1
299.02161	2.0
299.09259	100.0
299.15988	5.5
299.18771	5.8
299.25873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36541	0.6
51.89545	0.6
59.01375	5.1
61.07483	0.6
62.74918	0.6
79.01884	1.7
83.59763	0.7
85.06596	1.3
87.92476	0.7
91.05544	1.0
101.12346	0.7
111.04513	3.9
119.04997	1.4
133.43907	0.8
135.04498	7.0
141.09239	1.7
151.04070	0.9
152.04797	3.2
153.05582	15.0
163.04028	1.8
171.08119	1.6
174.99306	1.6
179.03497	4.8
180.04239	0.8
193.05119	6.4
193.54466	0.7
199.07614	1.7
217.00307	5.1
225.09258	6.6
237.14874	0.8
237.18607	1.7
243.10226	4.2
253.08678	2.7
255.19760	3.0
257.08624	1.1
263.16635	1.4
271.09637	1.1
281.08237	9.3
281.17563	3.4
291.42068	0.9
299.09271	100.0
299.18646	10.0
299.22253	7.5
299.25641	1.2
299.41983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21175	0.8
54.55302	1.0
59.01374	6.7
68.19373	0.9
74.94437	1.1
98.53252	1.1
101.82332	0.9
109.02981	1.1
113.58932	1.0
123.04547	4.1
124.01631	1.9
124.98804	1.9
125.02454	2.1
127.03990	1.8
145.06573	5.3
157.06554	1.3
166.02693	1.5
171.04498	5.0
173.06079	14.4
174.99269	1.8
177.01955	6.6
183.08141	1.1
217.00247	7.2
225.02061	1.1
237.09116	1.4
239.07155	5.6
243.06683	13.1
253.08620	4.5
255.19557	1.3
257.08212	19.3
271.89996	1.4
281.08231	34.1
281.17822	1.5
284.06909	1.9
299.09268	100.0
299.18698	6.1
299.22357	5.6
299.25784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	5,7-Dihydroxy-4'-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
54.62180	0.4
60.80940	0.6
79.01893	1.2
97.84309	0.5
105.03469	0.5
127.04125	0.7
135.04539	0.8
136.01651	3.8
137.02455	8.1
138.03229	3.9
138.89113	0.6
151.04033	1.1
152.04793	13.7
153.05576	1.1
163.03972	0.7
164.01164	12.7
165.01933	6.6
166.02756	4.6
167.41161	0.6
169.59724	0.6
178.02733	0.7
179.03511	2.8
193.01395	9.2
228.07970	1.4
237.05576	0.8
238.06375	6.5
239.07191	0.8
240.07881	0.7
243.10246	2.6
253.08676	5.6
255.06564	1.1
256.07416	1.1
266.03003	1.1
266.05853	29.5
281.08209	11.4
284.06915	2.5
299.09277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Icariside D2
Peak:m/z	Relative Intensity
53.43219	0.3
59.01376	1.5
59.43401	0.3
65.03960	0.6
65.94922	0.4
68.05050	0.4
69.03460	0.8
80.30737	0.3
83.05048	0.4
85.02942	0.4
93.03468	0.7
97.02935	0.4
104.92260	0.3
107.10651	0.3
108.04604	0.7
109.02953	7.1
112.04047	1.6
116.05035	0.5
117.97251	0.4
121.10213	0.7
124.04058	0.5
126.05619	2.2
131.88647	0.4
136.05322	0.4
137.06085	100.0
141.02841	0.4
143.07133	2.0
146.44214	0.4
150.66438	0.3
171.10281	3.5
175.14908	0.8
181.07776	0.6
195.09271	2.3
211.12375	4.3
219.13914	3.5
221.11858	1.6
237.15018	1.8
239.12920	1.7
245.11893	0.8
255.16029	1.7
263.12903	12.2
263.15482	0.4
281.14108	0.5
281.17502	0.4
284.03116	0.6
299.05695	0.5
299.11069	9.7
299.15057	12.6
299.18686	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.12617	0.5
55.01900	0.6
55.80028	0.6
59.01381	37.2
68.82063	0.6
71.01378	18.7
73.02962	0.7
85.02950	4.0
89.02439	26.7
93.03451	41.2
101.02439	10.3
106.16751	0.6
113.02449	10.2
119.03504	9.9
119.05003	14.1
120.75919	0.6
127.86150	0.7
129.27654	0.6
137.02448	100.0
154.62073	0.8
161.04620	1.2
179.05659	2.8
199.63203	0.8
245.20064	0.6
299.07755	2.9
299.11429	4.4
304.06955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Icariside D2
Peak:m/z	Relative Intensity
55.45766	0.5
57.03453	0.5
59.01384	2.0
66.81993	0.5
69.88628	0.5
71.01387	7.9
72.88232	0.5
72.99315	2.3
73.02945	2.5
74.58627	0.4
81.22337	0.5
85.02953	6.2
87.00887	0.5
93.03439	3.0
99.00877	0.6
101.02464	4.0
106.04268	2.4
107.05000	0.7
113.02435	2.9
119.05008	1.9
119.44900	0.5
123.04434	1.7
125.02409	0.7
137.02481	10.7
137.06087	100.0
137.51595	0.5
139.04010	1.0
149.06059	0.8
151.04015	6.8
151.05110	1.2
159.03012	0.7
161.04532	6.9
171.48259	0.7
225.07718	2.4
236.97238	0.6
237.07707	3.1
255.08629	0.6
281.06683	5.8
299.07782	6.1
299.12357	0.7
299.25989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.45322	0.9
57.15834	1.0
58.00582	1.3
59.01381	100.0
62.85506	1.1
71.01006	2.5
71.01378	48.4
72.99295	1.4
83.01365	1.6
85.02938	9.4
87.00852	1.9
89.02439	75.0
92.22613	1.3
95.01353	2.3
101.02440	28.4
113.02444	21.7
119.03494	25.6
119.05002	30.0
121.58273	1.3
124.84821	1.3
131.03482	2.2
137.06087	2.8
141.81584	1.4
143.03529	1.9
149.04497	2.5
161.04546	2.4
177.64612	1.3
179.05612	8.9
180.25194	1.3
202.40134	1.2
299.11319	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.0
71.99665	0.9
80.79553	1.0
90.17666	0.9
98.72255	1.0
125.02477	1.2
141.22566	1.2
143.64020	0.9
151.04047	1.3
152.04721	4.5
165.01938	1.4
166.02675	1.5
169.31380	1.0
173.06039	1.6
179.03500	7.5
180.04300	98.7
193.05048	1.9
209.19106	1.2
237.22163	5.3
238.10008	1.4
239.42813	0.9
243.06706	1.2
257.08057	2.2
266.09457	6.0
267.10358	1.8
275.71124	0.9
281.08063	1.0
283.09848	1.1
284.10550	24.3
299.09232	19.1
299.12839	100.0
299.21881	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82092	0.5
66.65636	0.4
68.10143	0.5
100.35580	0.5
114.02614	0.6
151.04021	0.9
152.04800	7.0
167.07161	2.3
179.03479	6.3
180.04292	100.0
193.04988	1.2
237.22269	2.5
267.10294	2.0
281.21307	2.4
283.09967	0.7
284.07309	0.7
284.10553	25.0
299.12915	79.9
299.22354	4.5
304.11990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1503
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
52.83656	0.5
59.01382	1.2
61.00602	0.5
71.05029	0.9
79.16723	0.6
85.73324	0.6
89.67162	0.7
97.02956	2.7
97.06599	1.1
99.00870	5.6
103.07495	0.7
107.97474	0.7
125.09714	8.4
127.78532	0.7
137.02492	1.1
163.11267	8.0
166.64999	0.7
181.12366	22.4
197.11893	1.1
197.28780	0.7
207.10277	49.6
209.07242	1.1
225.11336	100.0
262.96259	0.8
267.34518	0.7
292.66119	0.7
299.05386	1.1
299.14960	15.9
299.25546	0.8
299.42218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55362	0.7
53.75599	0.7
59.01391	3.2
59.05708	0.8
61.43541	0.9
83.01391	6.4
86.02478	10.0
97.06569	4.2
112.94700	0.9
116.07173	63.0
130.08717	0.9
138.09277	9.2
154.07478	21.8
156.10283	4.2
182.08232	42.7
182.09848	1.4
183.10269	5.9
183.15015	5.9
184.12172	4.0
185.16571	7.0
197.11830	14.6
197.72050	1.0
201.11346	1.3
211.14580	14.4
211.18138	5.8
227.17616	3.7
237.16077	1.0
255.17227	1.8
263.12881	8.2
299.16071	100.0
299.18713	9.7
307.27319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1655
Annotation	Miltipolone
Peak:m/z	Relative Intensity
50.82818	0.9
59.01386	4.6
64.27936	1.1
77.13527	1.1
135.04591	1.4
136.10143	1.2
159.04501	9.2
160.05357	4.9
164.04875	1.8
174.03288	7.2
174.99413	2.0
175.04004	14.9
176.04803	45.8
177.05527	16.5
178.62032	1.4
185.00862	1.5
187.04131	4.8
187.07658	7.5
188.04797	15.9
189.05675	4.8
190.06366	2.0
217.00345	2.0
230.09502	14.5
256.14828	4.1
271.17239	1.6
281.21161	1.2
282.75473	1.1
282.99649	4.5
297.14938	8.6
299.02853	6.2
299.16647	100.0
299.22385	14.1
299.25595	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1869
Annotation	Tetranor-PGF1alpha
Peak:m/z	Relative Intensity
52.23500	1.6
56.89207	1.7
59.01386	3.6
64.68047	1.9
71.19792	2.0
100.81286	1.9
101.58501	2.1
126.26694	2.1
138.84222	2.1
141.09314	4.1
141.48410	1.9
151.07550	2.0
155.35435	2.3
167.14392	3.1
178.49747	1.8
179.11913	2.3
183.09117	1.8
187.02299	2.0
201.12843	2.0
217.00392	3.5
237.18707	11.4
241.18111	76.4
241.20396	2.6
253.18166	32.1
255.19727	19.2
263.16629	16.4
281.17633	18.6
299.05820	2.6
299.13214	4.8
299.18826	100.0
299.22366	13.7
299.25763	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1867
Annotation	13,14-dihydro-15-keto-tetranor PGF1beta
Peak:m/z	Relative Intensity
57.03438	1.5
58.59602	0.6
59.01380	1.3
69.03463	1.1
69.71117	0.6
71.01377	1.5
71.05024	1.6
83.01382	7.8
85.02945	8.9
85.06548	0.7
95.05011	1.4
97.02972	0.8
97.06591	9.5
99.08154	2.9
101.71722	0.6
106.80493	0.8
109.06561	1.0
109.85435	0.7
115.04013	2.9
116.07146	1.7
125.06075	1.0
127.11241	1.3
130.08684	0.8
137.09723	3.4
139.07701	1.1
139.11278	4.7
143.07137	12.2
149.09694	4.3
155.10791	13.0
157.08795	0.6
181.08694	1.1
182.08322	0.7
183.10265	22.8
193.08716	1.3
197.11845	15.5
201.11353	9.9
211.09673	0.8
219.17247	0.9
223.13416	0.7
237.14960	1.5
263.13025	5.9
263.16522	3.5
284.03345	1.2
299.15387	10.0
299.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1867
Annotation	Achaetolide
Peak:m/z	Relative Intensity
53.43562	0.6
57.03445	1.5
59.01369	0.7
86.01003	0.6
95.05033	1.1
97.06590	16.4
98.34489	0.8
100.62025	0.6
111.08144	2.8
113.09722	0.8
125.09619	1.2
139.11295	56.4
148.91763	0.6
183.10277	24.5
183.13919	3.7
201.11385	7.7
203.60703	0.8
237.18617	18.8
249.14995	1.3
250.60143	0.9
255.15741	0.8
255.19630	1.5
263.16513	1.7
281.17627	19.0
284.03214	1.4
299.05768	1.1
299.18668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
59.01380	51.7
59.28437	2.4
60.51307	2.8
61.41585	2.8
69.27060	2.3
75.33220	3.0
83.05105	3.5
85.02934	3.3
87.04501	3.2
91.75450	2.7
97.06578	11.1
111.08169	4.0
128.86298	3.5
143.07118	5.2
164.83134	3.1
167.14394	64.1
171.10321	2.8
173.11824	3.6
174.99306	11.6
177.92470	3.4
201.11310	12.2
207.54294	3.3
211.13420	90.8
213.14894	3.9
217.00331	21.5
221.93964	3.7
227.16515	13.1
229.14449	84.7
237.18623	7.2
239.16542	32.4
257.17584	100.0
263.16623	3.5
271.06168	3.7
281.17569	20.2
299.09274	4.4
299.18643	59.8
299.22232	25.1
299.25635	6.6
312.96738	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.202
Annotation	Cespitularin G
Peak:m/z	Relative Intensity
58.56901	2.3
60.76833	1.9
83.05007	3.8
83.81056	2.0
90.98237	2.4
95.05029	14.2
99.08162	2.5
99.59458	2.1
107.05014	3.8
119.08633	8.0
131.08675	2.5
135.08095	2.3
137.09673	5.4
147.08170	2.5
147.11766	3.8
159.08173	4.0
160.08958	21.5
171.10265	2.4
187.14905	2.7
200.77898	2.2
215.14334	3.2
218.14908	2.4
265.16083	3.2
266.16739	3.3
271.20721	8.7
281.19012	25.7
299.19949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39376	1.3
59.01369	5.9
59.18193	1.3
59.77416	1.6
64.27137	1.3
91.70970	1.5
98.79004	1.4
174.99200	2.4
184.63206	1.5
217.00293	3.6
237.22258	96.0
281.21213	49.9
282.43210	1.7
299.22324	100.0
299.25522	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31807	0.7
59.01395	1.5
60.51031	0.6
70.97362	0.7
82.11970	0.8
84.08925	0.7
90.12624	0.6
96.63416	0.8
130.35086	0.7
134.86067	0.7
173.06088	1.2
192.84702	0.8
217.00359	1.8
223.20688	69.0
253.25375	1.4
256.23450	0.9
267.19669	52.8
281.08026	1.4
281.24884	3.6
285.20740	1.9
288.77527	0.9
299.09113	7.0
299.22318	34.8
299.25943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.56932	0.4
55.47661	0.5
58.84938	0.5
59.01371	2.1
62.67611	0.5
71.05016	9.9
76.26556	0.5
85.06576	0.9
96.21993	0.5
104.10158	0.6
129.07355	0.6
211.20705	11.4
225.22238	15.6
239.20332	0.6
253.25386	27.0
254.26642	0.6
281.24908	1.0
297.24368	3.4
299.09177	0.8
299.25940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
59.53335	0.7
75.00874	1.1
80.61545	0.8
89.02453	1.1
91.68859	0.7
116.89605	0.9
251.23830	1.8
253.25394	77.8
299.25955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.53765	1.3
59.01384	94.2
88.95473	1.5
90.81163	1.5
110.80037	1.7
117.10480	1.6
121.86197	1.7
299.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01382	2.3
110.46061	0.4
111.60211	0.4
141.33755	0.5
152.24117	0.4
182.73608	0.5
217.00220	3.4
221.00786	0.5
253.25320	4.4
281.24625	0.7
297.24423	0.7
299.25934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.44129	0.3
61.56945	0.4
62.91500	0.3
62.91826	0.3
77.91299	0.4
82.41518	0.4
141.12851	2.7
146.06221	0.4
157.12440	0.5
175.03848	0.4
217.00322	0.6
253.25345	2.4
271.22818	3.6
271.98532	0.4
281.21729	0.5
281.24854	2.6
297.24344	0.6
299.20538	16.5
299.25928	100.0
300.23163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.46650	0.6
59.94785	0.7
72.60474	0.7
90.04417	0.8
93.15717	0.7
100.45560	0.7
119.98087	0.8
165.51411	0.8
251.23933	1.6
253.25380	86.3
281.24884	1.3
295.96463	0.8
299.25937	100.0
300.69669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79918	0.3
53.37731	0.4
59.01393	0.4
59.54219	0.4
59.62012	0.3
64.82864	0.3
122.82671	0.4
127.11268	2.0
155.14439	1.7
165.78163	0.4
168.02081	0.4
253.25388	2.3
281.24817	2.4
297.24396	0.9
299.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
79.09128	0.5
88.04043	0.9
92.75965	0.5
113.09715	0.8
131.22563	0.5
214.88525	0.6
237.22202	2.4
253.25423	2.3
255.23302	8.3
271.22925	0.6
281.24887	2.8
297.24564	1.8
299.22379	9.4
299.25912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92556	0.9
62.74013	1.0
63.74541	0.9
78.15611	1.0
79.90030	0.9
82.06655	1.5
108.02169	1.3
108.88035	1.0
109.76383	1.2
111.71873	1.2
138.05612	1.2
148.01648	2.2
151.00345	2.2
153.01852	1.1
191.00021	1.1
199.03978	1.1
200.05595	4.4
216.04393	1.3
224.14626	1.1
226.02547	1.2
227.03554	2.2
243.02980	17.1
251.72186	1.3
254.02159	2.1
255.03014	38.9
271.02496	89.7
277.12411	1.2
299.01740	1.5
300.02771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04520	0.9
59.01381	1.5
61.39674	1.1
67.29489	1.0
69.07326	1.1
71.01379	11.0
81.03459	5.2
84.04516	1.4
85.02946	2.7
97.02927	2.0
98.02467	5.2
98.06091	2.4
99.04500	4.6
101.02441	5.7
108.04552	10.8
113.02422	1.5
126.00462	1.2
126.05595	5.2
137.73633	1.1
138.05623	2.7
140.03534	1.5
143.03476	2.4
149.89374	1.2
152.03558	12.3
156.06667	21.5
172.64014	1.4
200.05670	45.9
200.07355	1.6
201.73756	1.1
210.04100	11.0
212.07182	7.7
259.79865	1.2
300.07306	100.0
300.10757	5.1
322.99078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0729
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
62.56622	0.9
65.70856	0.9
66.53561	0.9
67.74203	0.9
69.03470	1.8
71.01381	10.6
72.99333	1.1
74.99104	1.2
81.03454	5.1
82.02996	2.2
84.04572	1.6
85.02952	2.3
89.01930	1.1
93.03435	2.0
98.02466	4.9
98.06135	2.3
99.04498	4.2
101.02447	7.3
108.04544	21.0
110.02470	1.0
113.02445	2.0
118.02986	2.2
126.05590	5.5
137.02478	2.4
138.02798	1.8
138.05634	2.1
143.03488	2.4
152.03529	35.1
156.06664	14.3
162.01987	5.3
166.05103	2.1
179.46872	1.2
200.05658	48.7
210.04088	25.2
212.07153	4.7
262.00949	1.1
300.07333	100.0
300.10831	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.088
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
57.77494	0.5
84.23038	0.6
91.05505	5.7
107.03716	2.4
108.04552	100.0
120.04544	9.7
145.10254	0.6
151.02762	7.6
152.03529	37.9
164.03572	8.3
191.02242	1.1
212.10907	2.5
256.09808	36.9
272.02802	4.0
285.03546	0.9
300.02399	4.4
300.08807	49.5
317.78082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0961
Annotation	Flutriafol
Peak:m/z	Relative Intensity
51.60951	0.7
61.74577	0.8
66.72702	0.8
79.01870	1.0
83.30706	0.8
111.04532	3.5
135.04527	4.3
136.04854	5.0
138.44861	0.9
152.04689	1.2
153.05617	8.2
154.05934	9.8
163.04082	1.1
163.57623	0.8
164.04306	1.5
167.35966	0.9
179.03539	1.7
180.03978	1.5
194.05418	1.6
200.07877	1.0
226.09535	4.0
228.06534	1.1
228.11235	1.0
244.10626	1.7
256.05984	2.1
257.08350	1.3
267.06454	1.0
270.08624	1.1
282.08487	10.1
288.41336	1.1
300.09610	100.0
300.19138	1.7
300.22662	1.1
304.33606	0.9
310.44040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62774	0.3
58.32503	0.2
59.01368	1.3
69.67321	0.3
76.49426	0.3
85.02982	0.5
85.92477	0.3
89.89278	0.4
93.03437	1.0
94.03783	0.4
101.35813	0.3
121.26820	0.2
123.03259	3.8
124.00709	0.4
137.02481	1.6
137.04828	0.4
138.02780	1.8
138.05615	100.0
152.07097	0.5
163.64723	0.3
167.05943	0.6
177.10065	0.3
180.06644	2.3
207.02448	0.3
300.05386	1.0
300.07928	0.6
300.10925	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41447	1.0
58.00583	2.0
62.84636	1.1
65.82956	1.1
66.03494	2.6
71.01381	5.3
79.74861	1.2
82.02983	6.5
85.06590	17.4
99.00874	100.0
101.06107	2.7
110.02475	10.2
111.98901	1.4
113.06085	19.0
115.07641	55.3
122.02494	7.3
137.06099	2.1
138.06421	6.0
140.03534	1.7
143.92758	1.5
149.15152	1.3
156.10265	5.5
186.83818	1.3
208.10712	1.5
214.77623	1.5
215.54231	1.3
225.07184	1.2
225.11397	2.3
226.11612	7.8
227.46629	1.5
231.22823	1.4
256.12149	2.0
300.10983	69.8
300.14539	3.1
300.18658	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1244
Annotation	Morphine N-oxide
Peak:m/z	Relative Intensity
58.85399	0.7
59.53359	0.8
74.23881	0.7
80.53637	0.8
109.02943	1.2
110.93250	0.9
126.05598	1.9
140.09334	0.8
151.06520	0.8
173.06052	7.8
181.03827	8.0
190.05121	5.5
194.04599	4.2
197.09796	1.5
239.10797	1.2
241.08755	12.1
255.10240	3.7
256.13477	12.0
259.09854	1.9
282.11353	7.3
283.09802	7.2
285.00034	1.5
285.10104	45.4
299.68808	1.0
300.02643	1.8
300.05814	3.5
300.12448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29441	0.6
57.03448	0.7
57.22659	0.7
59.01365	1.0
62.40531	0.6
69.96175	0.6
76.00737	0.6
80.75471	0.6
82.50577	0.6
84.04536	3.7
85.02932	0.7
85.95715	0.6
97.06585	3.5
102.05601	4.1
102.24097	0.7
108.04543	4.6
125.09716	32.3
131.36328	0.7
135.08186	1.2
153.09154	0.9
169.08659	0.9
171.10281	8.3
178.08743	13.4
179.07164	0.9
187.09746	4.4
192.13957	12.0
202.12393	1.2
206.04854	0.7
214.10852	20.2
220.13431	4.8
236.13011	1.2
238.14484	7.5
246.11382	4.1
256.15601	3.6
256.75299	0.8
264.12430	17.2
282.13464	3.3
300.14563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04432	0.5
58.02984	6.8
58.29924	0.5
62.21668	0.6
62.63335	0.5
72.00923	0.7
84.04552	0.9
86.63644	0.7
87.05640	1.6
99.05672	6.6
101.07230	6.3
110.02475	10.2
125.07192	0.9
127.03542	0.8
127.05109	5.2
129.06682	3.9
130.08731	39.4
143.08296	1.4
143.10812	1.4
143.11894	26.6
155.29636	0.7
169.06161	4.7
169.09769	1.1
182.61542	0.8
187.10901	5.5
214.15619	100.0
249.66092	0.7
256.16678	3.3
258.14746	0.7
300.15677	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1568
Annotation	(Ac)2-L-Lys-D-Ala
Peak:m/z	Relative Intensity
58.02975	6.7
64.10952	0.3
66.50839	0.3
66.81317	0.5
72.00910	0.6
73.04097	0.7
81.01071	0.4
83.06153	0.5
84.00897	0.4
84.04531	1.7
87.05641	2.9
97.04059	0.5
99.05635	6.1
101.07217	5.9
103.92078	0.4
110.02473	12.0
111.05657	0.5
112.04039	2.1
125.07182	0.8
127.05135	5.5
129.06726	4.7
130.08731	37.1
131.15897	0.3
143.08241	2.8
143.11905	23.5
144.07773	0.5
157.13399	1.4
169.06168	4.8
169.09810	2.0
187.10910	5.1
197.12924	0.5
211.16582	0.4
212.02559	0.5
214.15634	98.1
228.07742	1.5
239.14139	0.4
256.16687	4.4
282.14658	0.5
300.15689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.182
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
50.72425	0.7
52.89315	0.9
54.45557	0.8
67.74561	0.9
95.11191	0.8
97.06563	1.5
103.37355	0.8
106.72816	1.0
116.07162	23.3
123.04407	1.1
123.88694	0.9
125.09719	20.9
130.08733	85.4
139.11273	4.3
183.10255	1.0
193.72363	0.8
212.20210	4.4
215.63316	0.9
225.84518	0.8
238.18126	11.1
256.15582	1.4
256.19254	7.2
282.17169	2.1
285.03711	1.4
300.05923	5.7
300.15100	3.6
300.18216	100.0
303.99905	0.9
313.92950	1.0
316.48611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85015	0.7
95.62653	0.9
97.06571	2.3
104.90536	0.9
116.07152	15.2
120.89603	0.9
125.09710	20.3
130.08737	98.5
130.27150	0.9
139.11279	1.5
143.07088	1.0
166.95238	0.9
173.43349	0.9
212.20271	1.7
237.74313	0.9
238.18060	10.5
256.15567	1.8
256.19211	8.7
282.17264	1.3
285.03586	3.7
300.05722	1.9
300.18234	100.0
311.44626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46559	0.7
54.09835	0.8
68.93552	0.7
70.45325	0.9
72.31879	0.8
72.98935	1.5
72.99306	25.2
73.02940	3.4
73.99644	1.8
75.00871	22.3
76.01212	1.8
95.06919	0.9
122.48689	0.9
133.33531	0.9
136.02460	0.8
148.26292	0.8
155.05844	0.8
178.96454	1.0
300.22586	100.0
300.25351	7.5
308.63568	0.9
313.99615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.75761	0.5
63.02417	1.1
65.00330	3.3
73.68081	0.6
83.01386	3.8
92.23064	0.9
93.03420	0.8
100.13457	0.6
102.28706	0.6
107.01380	12.5
108.04542	3.2
109.02973	0.8
114.93513	0.7
121.02956	14.5
124.07665	1.5
130.88861	0.7
136.07693	7.8
145.21510	0.6
149.02388	2.4
151.00368	72.7
163.00455	1.0
169.01498	1.0
178.99863	25.3
229.05090	1.6
237.32474	0.7
245.04588	1.1
253.65599	0.7
257.12997	19.3
264.84399	0.7
273.03928	2.8
293.88467	0.8
301.03555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35156	0.6
59.01374	0.9
61.00255	0.5
101.52515	0.7
105.01881	0.7
106.02880	0.6
121.02930	1.1
123.00880	0.8
138.03168	1.1
149.02451	1.2
151.00380	3.2
178.99855	0.6
212.04791	2.6
213.11168	0.8
215.03491	1.5
223.13516	0.7
227.03410	2.5
227.94803	0.7
239.03506	4.2
240.04333	6.6
243.02966	8.3
253.05035	1.5
255.06581	1.4
256.03702	1.2
257.04605	9.3
258.05374	1.5
268.03784	10.8
269.04547	16.4
271.02457	9.1
271.05997	3.0
285.04056	37.8
286.04868	63.6
301.03708	6.4
301.07162	100.0
301.16559	2.7
301.20209	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
76.57342	0.7
107.01376	1.0
120.43543	0.7
123.00871	4.1
135.00877	4.9
136.01648	15.4
137.02409	0.9
151.00377	19.7
151.04004	32.3
152.01147	1.5
156.23041	1.0
183.13890	18.4
209.11951	0.9
211.04080	1.2
226.02742	4.7
239.03545	4.7
240.33322	0.8
242.88397	0.8
255.03015	20.6
259.06070	1.3
269.04575	5.2
286.04855	100.0
287.05621	1.9
301.07196	87.6
301.16559	5.2
301.20255	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50100	0.9
54.63396	0.9
59.01402	1.0
66.03488	19.8
67.32094	0.8
69.03442	1.0
81.55305	1.1
109.04069	100.0
110.52655	0.9
120.04550	5.7
164.03520	26.2
167.10867	1.0
177.07941	1.2
209.12038	1.0
213.10297	4.1
257.09387	20.9
257.12198	1.4
257.13080	1.3
271.08554	5.6
301.08301	9.3
301.12146	3.7
301.16296	6.2
301.19818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02963	2.0
72.00906	4.7
74.35875	0.8
82.02973	1.4
96.00900	6.9
109.01684	100.0
110.02467	81.7
112.00392	1.1
113.03590	1.0
114.01962	15.3
116.05035	18.8
118.80322	1.0
123.00922	1.9
124.62659	0.9
125.09701	4.0
128.03543	4.3
131.04582	7.9
138.03214	1.5
142.06610	6.8
149.02414	1.0
157.15248	1.0
169.08788	1.0
183.09073	0.9
186.05675	1.8
197.07236	5.1
203.08243	10.9
215.08279	1.8
221.07237	2.2
225.05582	3.7
239.08278	3.8
240.04298	5.1
240.07971	1.5
241.05199	1.1
253.05049	6.1
255.06638	25.7
256.07404	1.1
270.09009	13.3
271.06152	1.4
271.09769	4.8
283.07257	73.0
301.08005	8.0
301.11136	7.9
321.37759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75444	0.7
59.01387	1.4
60.85507	0.7
61.27312	0.8
69.49545	0.8
71.01377	4.9
72.99287	1.3
73.02948	1.1
75.05001	0.7
83.72739	0.8
85.02945	1.9
93.03379	0.8
99.00889	3.8
101.02421	1.5
109.02939	1.6
113.02503	2.5
121.02935	3.6
123.00877	100.0
123.04544	0.8
124.01664	8.2
125.02407	1.2
137.02434	4.9
137.05931	0.9
138.03227	96.5
139.04004	24.1
147.65659	0.9
149.02446	1.4
151.03975	1.8
153.03940	1.4
159.03078	0.9
161.04572	5.7
166.02704	1.9
178.02734	1.1
181.05083	7.7
189.04074	1.0
193.05054	1.7
201.05980	1.3
211.04399	0.9
211.06145	1.3
223.23111	1.0
240.07301	0.9
301.09705	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.85313	0.7
71.01374	3.0
73.02924	0.9
85.02955	0.9
90.86088	0.7
93.80083	0.6
95.01389	2.8
100.78051	0.7
101.02418	3.8
102.58289	0.7
113.02428	2.6
116.25498	0.7
121.02921	2.8
123.00872	90.8
124.01647	7.3
125.24796	0.7
135.83885	0.7
137.02440	3.4
138.03223	100.0
139.04008	18.2
144.58827	0.7
149.02377	1.4
150.03185	0.8
151.03909	1.6
159.93771	0.7
161.04602	6.4
163.03951	1.1
166.02701	4.4
166.11742	0.9
178.02699	1.1
180.77890	0.8
181.04993	8.5
182.03824	0.7
193.05049	4.6
248.56630	0.8
287.53891	0.8
300.56610	0.7
301.06189	1.1
301.09293	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.13793	2.4
50.27179	2.4
50.31275	2.4
55.01882	2.8
57.30859	2.5
59.01377	16.5
67.16227	2.3
67.36195	2.3
71.01380	68.8
73.02950	27.4
83.01382	11.3
85.02943	39.1
86.42897	2.5
95.01359	6.0
99.00861	3.8
101.02438	43.9
106.79064	2.5
113.02429	33.6
123.00875	92.2
124.01643	100.0
137.02422	4.9
138.03227	85.4
139.04012	59.4
143.03371	3.6
159.02991	6.9
161.04552	48.9
181.04971	4.0
291.85333	3.3
301.09607	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1085
Annotation	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
Peak:m/z	Relative Intensity
52.55941	1.5
67.00334	1.4
68.15670	1.7
68.56538	1.5
68.63422	1.5
71.05014	2.7
109.02937	2.5
123.00970	2.1
127.04021	11.0
138.03220	2.7
147.08189	3.2
151.04083	2.1
152.04744	3.3
167.03595	2.1
173.06120	6.6
239.10777	3.7
241.08777	15.4
245.08209	9.1
255.10382	10.4
283.09766	50.3
286.08527	3.2
301.10883	100.0
301.20050	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	Ethericin B
Peak:m/z	Relative Intensity
60.54411	0.7
62.67632	0.6
65.26452	0.6
70.26969	0.6
82.03069	0.8
106.97917	0.7
108.01274	0.7
109.01667	6.0
109.02873	0.8
110.02460	4.6
113.03574	0.9
113.90063	0.7
131.04620	4.1
135.61664	0.8
148.30424	0.8
149.02425	3.9
149.31097	0.9
150.03220	4.6
164.04753	1.4
165.05554	6.1
177.05614	0.9
212.04803	1.2
213.05595	1.6
225.05577	13.0
226.06340	1.1
227.07097	3.0
236.04797	1.1
240.04301	16.1
240.07922	7.2
241.05066	11.1
243.06505	1.0
253.05083	17.8
255.06641	100.0
256.07404	8.9
267.06653	1.1
268.07379	8.0
270.08997	57.5
271.06216	9.0
271.09781	22.4
271.12473	0.9
283.07101	2.7
283.09808	2.6
286.08270	5.2
301.08057	1.3
301.10828	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1085
Annotation	Nubenolide acetate
Peak:m/z	Relative Intensity
57.03446	1.4
59.01386	1.8
61.68953	0.8
68.11008	1.0
70.97878	1.0
71.04997	1.1
75.39289	1.0
79.04437	1.0
80.19036	0.9
83.05011	1.7
83.55692	0.9
85.02937	2.5
87.79291	1.0
97.02908	1.6
99.04506	5.4
109.02941	7.0
111.04484	2.5
113.02428	1.5
113.03539	1.6
114.01962	1.3
123.00874	1.5
123.04462	1.7
124.63031	1.1
125.06061	1.6
125.09721	1.5
127.03998	14.2
131.04672	5.7
137.02414	2.3
145.03024	1.5
147.08141	1.6
149.02431	6.7
150.03262	7.8
151.04002	6.2
152.04784	1.7
157.06543	1.3
165.05540	7.2
166.06393	1.7
167.03487	8.7
169.05016	2.1
173.06024	10.7
186.06876	2.5
186.51660	1.0
191.03398	1.4
197.09772	1.4
209.11873	2.0
215.10765	1.7
225.05518	8.3
237.39256	1.2
239.07149	1.5
241.08759	16.4
242.09470	4.4
245.08237	10.0
253.05099	19.7
255.06622	1.9
257.11835	4.2
259.09738	8.1
267.06622	1.6
268.07397	13.7
271.06177	12.9
283.09714	6.8
286.08493	10.7
301.07648	3.6
301.10822	100.0
306.05563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12019	0.7
72.57295	0.7
78.85075	0.6
84.11964	0.7
88.93068	0.9
123.00850	1.3
130.36728	0.8
147.03244	1.3
160.04001	2.5
161.04823	100.0
162.05598	9.6
164.03584	1.0
172.29292	0.8
175.02724	1.2
192.03091	1.8
193.03830	17.7
199.48135	0.9
209.64162	0.8
215.15912	3.5
271.10907	20.6
283.10901	68.6
292.92761	0.8
294.34427	0.9
301.12012	37.9
301.15860	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64483	0.5
55.01125	0.5
59.01368	0.6
64.42664	0.6
70.02985	3.6
71.02499	1.3
71.05020	1.2
72.00907	1.6
73.98582	0.6
78.94666	0.7
80.96507	0.7
95.02498	4.1
103.47034	0.6
105.62318	0.6
109.01701	2.6
110.02473	1.5
111.01997	2.7
111.65249	0.6
113.03563	36.5
113.04352	1.4
114.01959	23.8
123.00914	1.0
123.08076	0.9
125.09715	36.0
131.04620	100.0
138.03226	1.2
145.35342	0.7
169.08704	31.0
184.53526	0.6
283.07294	2.9
301.13831	3.4
301.17300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76128	0.7
59.01390	2.9
70.02979	3.4
71.05018	2.1
72.00906	0.8
74.35791	0.7
95.02508	5.6
98.47840	0.9
104.93359	0.8
113.03564	36.7
114.01963	24.3
123.00862	1.0
125.09721	33.5
128.81952	0.9
131.04620	100.0
138.03220	1.3
143.04594	1.0
165.31549	0.9
169.08711	27.3
197.11943	1.1
222.01411	0.8
224.32326	1.0
301.07101	1.3
301.13696	1.0
301.16656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	CHEBI:78821
Peak:m/z	Relative Intensity
57.03456	0.6
59.01381	5.0
70.29086	0.5
71.05017	1.0
72.30418	0.5
113.54010	0.7
123.00867	2.6
125.09708	4.1
127.11237	0.9
138.03238	2.9
157.08679	1.1
167.14455	1.0
171.10292	1.3
181.16002	1.3
183.13907	1.2
187.09761	1.5
201.37131	0.6
209.15492	2.6
211.13443	7.9
223.13368	1.5
225.14977	14.2
227.16530	7.7
229.14453	3.7
239.16429	1.2
241.14410	0.7
243.16051	1.5
244.75214	0.7
257.04660	1.3
257.17648	3.1
268.03723	1.1
269.04623	1.2
271.02661	0.9
283.19287	0.9
285.04047	3.9
286.04843	7.3
301.00058	5.0
301.07208	14.1
301.16586	100.0
301.20230	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	oscr#3
Peak:m/z	Relative Intensity
51.10417	1.0
56.58296	1.2
57.03446	1.4
58.00587	3.1
59.01379	23.3
73.02950	1.9
79.95775	1.4
97.06569	2.0
99.00879	5.1
99.08158	6.0
100.01656	3.0
125.09712	1.3
138.96608	1.2
139.11290	3.0
155.10748	2.6
183.10313	18.4
183.13892	11.1
195.13872	3.0
201.11308	7.4
207.67227	1.4
213.14961	40.7
221.15538	6.7
223.13391	8.5
239.16493	19.5
241.14464	52.3
264.84271	1.4
265.14355	9.5
283.15536	19.4
301.16562	100.0
301.20215	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.84456	0.5
59.63576	0.5
72.99305	12.8
75.00864	60.3
117.21094	0.7
120.60907	0.6
131.73083	0.5
135.87743	0.6
183.13914	6.1
225.14964	27.1
230.62540	0.6
239.16559	11.1
255.16002	5.1
301.16608	100.0
301.19821	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75254	1.1
58.00591	1.3
59.01385	17.7
63.34553	1.0
72.59949	1.0
73.02945	5.7
85.23107	1.1
97.28170	1.1
99.00876	2.9
99.71155	1.1
100.01680	1.8
101.06086	2.2
102.88407	1.1
115.07637	1.3
139.11269	1.2
175.48524	1.3
179.14496	1.4
183.13930	11.7
185.15550	1.4
195.13910	2.6
208.57381	1.3
213.14973	28.9
221.15533	6.3
223.13373	9.2
239.16556	20.3
241.14478	33.1
247.13579	2.0
257.12955	2.3
265.14465	11.2
283.15530	13.9
301.16580	100.0
301.20233	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35955	0.4
52.56832	0.4
53.35299	0.4
57.61370	0.5
59.01378	0.6
61.51212	0.4
85.00258	0.6
123.00890	1.9
136.01674	0.5
138.03264	0.6
144.90408	0.6
151.00285	0.6
157.11203	0.5
164.03793	0.5
165.12869	4.2
183.13908	100.0
201.11325	0.7
209.11893	1.1
215.12900	0.5
225.15027	1.1
227.12920	4.1
227.16539	0.6
239.16451	0.7
255.03021	0.6
257.01028	0.6
259.81329	0.6
270.98962	1.0
286.01218	3.1
286.04861	8.1
300.99985	12.3
301.03403	1.7
301.07083	6.0
301.12900	2.2
301.16592	24.5
301.20206	7.3
309.36749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01381	5.0
70.29086	0.5
71.05017	1.0
72.30418	0.5
113.54010	0.7
123.00867	2.6
125.09708	4.1
127.11237	0.9
138.03238	2.9
157.08679	1.1
167.14455	1.0
171.10292	1.3
181.16002	1.3
183.13907	1.2
187.09761	1.5
201.37131	0.6
209.15492	2.6
211.13443	7.9
223.13368	1.5
225.14977	14.2
227.16530	7.7
229.14453	3.7
239.16429	1.2
241.14410	0.7
243.16051	1.5
244.75214	0.7
257.04660	1.3
257.17648	3.1
268.03723	1.1
269.04623	1.2
271.02661	0.9
283.19287	0.9
285.04047	3.9
286.04843	7.3
301.00058	5.0
301.07208	14.1
301.16586	100.0
301.20230	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.60377	0.4
57.12960	0.4
64.35709	0.5
71.95090	0.4
72.14068	0.4
100.84464	0.5
126.80544	0.6
150.05049	0.5
161.06404	2.8
217.07224	65.0
238.07062	0.5
251.47874	0.6
261.06259	0.6
285.13504	31.2
300.66223	0.6
301.16635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
53.70435	0.6
57.03448	1.5
59.01378	1.2
74.42834	0.7
77.47530	0.7
79.15316	0.6
96.28552	0.7
97.06573	6.2
99.08160	9.1
125.06073	1.6
127.11298	4.7
130.08737	1.1
135.15851	0.8
137.09708	1.6
139.11278	14.0
143.07140	30.4
155.10797	4.6
171.10289	1.3
181.08601	1.1
183.10245	14.7
201.11369	8.0
221.19067	2.6
258.69043	0.9
265.15298	0.9
265.18066	4.1
283.19107	1.1
301.17188	3.3
301.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03444	1.2
67.15347	0.5
83.05014	0.8
84.07304	0.6
92.23074	0.7
94.59334	0.5
97.06570	5.2
98.99569	0.5
107.61137	0.6
113.09719	2.0
122.42886	0.6
125.09724	5.6
153.31520	0.5
159.10371	0.7
187.09694	4.0
208.91454	0.6
209.11844	19.5
213.01732	0.6
218.10062	0.6
220.92946	0.6
221.19121	48.2
227.12834	0.8
239.20129	4.9
257.21191	3.2
265.18115	36.6
283.19165	29.9
301.16705	8.9
301.20181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2024
Annotation	Emedastine
Peak:m/z	Relative Intensity
57.03440	0.9
59.01378	1.3
68.80692	0.6
71.01355	0.5
85.02934	1.0
86.44598	0.5
96.64471	0.6
97.06577	9.2
99.08153	9.0
101.47909	0.6
123.00842	0.8
127.11280	3.6
137.09686	1.4
139.11311	8.9
143.07140	1.4
155.10768	8.0
165.09251	0.8
171.10332	0.6
181.08690	1.4
183.10268	41.2
197.36514	0.6
201.11343	15.6
255.06740	0.7
257.82422	0.8
265.18271	0.9
280.97260	0.7
301.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
52.38670	1.6
56.62801	1.6
57.36176	2.1
59.01392	18.1
61.00965	1.8
72.59535	1.9
78.36302	2.0
80.65471	1.9
138.03189	2.6
169.30135	2.3
203.18024	11.2
222.18596	2.2
229.19496	2.8
257.22787	47.9
301.00012	19.7
301.21738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67769	1.9
59.01369	19.7
71.62325	2.2
77.07541	2.2
79.73051	2.0
79.85017	2.0
92.23203	3.1
149.13417	2.1
174.32901	2.5
183.13846	2.5
188.08290	6.6
198.17424	2.4
203.18001	16.4
246.90222	2.2
257.22745	57.0
301.00064	3.9
301.14386	4.9
301.21732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42221	0.4
52.09877	0.4
52.10606	0.3
71.63255	0.4
111.11768	0.4
112.19571	0.4
165.41850	0.4
204.24365	0.4
216.53542	0.4
287.30853	0.4
301.21759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2175
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
59.01382	23.9
59.27584	1.9
69.50307	2.1
78.95908	2.8
91.58187	2.3
121.76428	2.3
123.00867	3.6
125.70071	2.2
150.70895	2.6
191.66014	2.8
203.18036	21.4
257.22772	73.4
262.32993	2.7
300.99976	25.5
301.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2175
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
55.31552	1.8
59.01377	3.6
79.62033	1.8
203.17905	1.8
222.07202	1.7
248.09492	1.8
257.22775	20.7
301.21762	100.0
306.59454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2387
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
54.71074	0.5
65.28278	0.4
72.47004	0.5
79.41068	0.5
92.42415	0.6
117.19315	0.6
123.00844	1.0
127.11276	5.7
155.10759	0.6
157.12326	2.3
171.10295	0.8
177.26256	0.6
201.11366	0.9
265.21704	2.3
281.21027	0.8
283.22806	13.9
299.22345	6.5
301.23880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2386
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
55.27679	0.5
78.22179	0.6
82.87543	0.6
83.05013	1.1
83.14446	0.6
85.06602	4.5
101.06069	3.1
113.06084	3.7
127.62383	0.6
129.09207	5.5
132.97040	0.7
155.14352	4.8
169.15970	5.0
179.89377	0.6
192.21248	0.7
199.17000	2.5
199.22206	0.7
211.20752	2.6
241.21748	4.1
255.23360	0.7
267.19623	1.2
283.22821	4.0
285.20767	1.2
294.83115	0.8
299.22278	3.5
300.99918	5.5
301.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2386
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
51.13117	0.5
58.00635	0.7
64.65531	0.6
72.99303	35.9
75.00869	24.6
81.63200	0.8
81.97630	0.6
106.89515	0.8
138.03287	1.0
217.07204	1.0
217.76500	0.7
225.22343	2.8
255.23396	1.5
273.22467	0.8
301.00040	3.7
301.16400	4.9
301.23935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
71.05019	2.4
72.05372	0.6
74.91042	0.7
85.02929	1.2
99.04519	1.0
102.57964	0.6
109.02939	1.0
110.03266	0.8
111.04488	0.6
113.02399	0.7
121.04298	0.6
124.04875	0.7
124.52134	0.7
125.06098	1.0
126.06416	1.0
127.04012	6.4
128.04329	2.6
147.08073	1.1
148.08519	0.8
149.06073	1.1
151.04056	0.9
152.04471	2.6
153.05170	0.8
166.06313	0.6
167.03535	1.2
168.03844	1.2
174.06413	4.4
192.03996	0.9
193.04605	0.7
198.10065	2.6
207.83667	0.6
240.11072	4.7
241.08380	2.3
242.09070	11.3
243.09703	0.7
245.08229	2.5
246.08597	9.0
256.10611	11.3
258.12158	3.2
260.10138	3.9
284.10132	43.9
287.08868	3.3
302.11176	100.0
323.65988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1526
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
58.00474	1.0
59.01372	1.2
92.18766	1.2
107.05056	1.5
132.70825	1.2
135.04518	89.3
156.61230	1.2
159.04482	1.4
160.05260	2.2
164.52292	1.1
171.08176	1.4
173.27713	1.1
173.83221	1.2
174.06868	34.3
175.07631	14.4
189.09227	20.1
194.65215	1.2
198.65880	1.2
218.07066	1.9
222.79967	1.1
237.05653	1.1
258.16248	100.0
302.15231	18.3
302.26886	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42533	1.4
56.39641	1.2
59.01382	9.7
60.01714	1.7
60.35675	1.4
61.69648	1.2
65.11195	1.6
78.10838	1.5
115.82468	1.4
172.07643	1.7
172.09138	1.8
204.18279	2.9
258.23032	20.5
302.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
66.18996	1.7
68.99815	3.8
71.01391	2.8
82.02984	1.5
84.93882	7.5
85.02959	3.0
95.01384	26.4
99.92583	48.3
100.93362	54.9
107.09480	1.5
110.95446	2.1
111.00870	6.2
115.92064	65.5
116.92854	100.0
122.95445	2.8
124.93327	8.7
124.96958	1.8
126.94890	2.8
135.73334	1.7
139.00362	4.1
142.94395	3.3
150.94945	12.0
168.96005	3.6
169.93144	2.0
170.94102	2.3
178.94362	2.2
182.93983	2.5
186.08041	1.7
186.93434	4.0
194.93941	22.2
197.92654	7.4
198.93481	2.2
201.00308	2.3
222.91238	2.0
222.93404	10.8
240.94304	3.1
244.08612	2.2
259.10825	7.2
266.92389	21.8
284.93430	10.0
302.94559	74.9
303.10181	3.6
303.14337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0514
Annotation	1,3,7-Trihydroxy-5,6-dimethoxyxanthone
Peak:m/z	Relative Intensity
56.07972	0.6
57.90768	0.6
63.97881	0.6
75.00939	1.0
145.02902	1.1
168.36031	0.7
190.02722	23.6
201.99110	1.2
202.99818	2.8
205.05057	13.7
216.04503	1.2
217.01425	38.8
218.02235	6.8
230.99301	2.9
232.03889	1.1
233.04558	100.0
244.03668	0.8
245.00922	13.7
246.01736	1.0
261.04068	4.2
275.05582	3.3
303.05118	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0876
Annotation	Wentilactone A
Peak:m/z	Relative Intensity
56.39697	1.2
62.37723	1.1
68.56054	1.2
68.60962	1.5
98.02475	8.8
109.02927	8.7
111.00863	6.6
119.05019	13.1
121.02934	5.7
123.00888	1.8
125.09644	1.7
132.02151	3.2
133.02959	7.8
134.03745	8.8
136.01653	22.9
137.02431	11.0
143.87726	1.4
147.04515	23.1
148.05298	30.6
149.06061	8.8
151.04001	2.8
153.05554	14.3
159.73610	1.5
160.01675	25.4
163.04018	2.0
174.06912	2.7
175.04001	62.2
176.04787	2.7
177.01952	2.6
178.00531	1.3
178.02628	1.8
182.30237	1.3
191.07166	6.1
192.04294	33.1
193.05070	10.6
200.01164	1.7
200.04762	2.2
215.07167	2.6
219.06657	6.3
221.80009	1.4
227.08253	2.8
244.07462	5.6
250.48126	2.1
259.09836	21.7
285.07605	13.3
303.01553	2.4
303.08759	100.0
303.21857	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25172	0.5
77.23575	0.6
81.10928	0.6
93.84180	0.6
122.06095	0.9
136.07680	3.4
136.62581	0.6
161.07234	7.8
162.07994	7.9
169.33018	0.6
172.11330	0.6
200.09639	0.8
215.11913	100.0
245.43161	0.7
259.10889	34.1
303.04529	0.7
303.09888	15.5
303.15796	0.8
303.21817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75901	0.4
61.87740	0.6
66.07051	0.5
68.88517	0.5
122.06152	0.9
136.07695	3.3
142.53821	0.5
151.23592	0.5
161.07237	7.7
162.07997	9.3
172.11383	0.5
200.09451	1.0
215.11905	100.0
238.30141	0.5
255.53300	0.5
259.10873	31.6
303.09906	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00618	0.6
55.85764	0.7
74.86790	0.7
79.95263	1.5
79.95736	52.0
80.96516	100.0
89.14922	0.8
116.78850	0.8
186.81108	0.9
221.15503	11.4
223.15636	0.7
303.12753	94.6
303.21768	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1452
Annotation	Creoside I
Peak:m/z	Relative Intensity
57.03453	1.8
58.00584	2.0
59.01385	11.6
62.98954	0.9
69.03454	10.4
71.01376	7.3
71.05005	4.5
73.02932	3.6
75.56702	0.8
81.03453	13.4
83.05017	9.3
84.02160	1.5
85.02952	12.2
87.04518	3.7
93.03477	0.9
95.04994	1.8
97.02959	7.7
99.04515	34.8
101.02432	12.8
101.06079	6.3
109.06545	1.1
109.53714	1.0
110.03720	2.0
110.97198	0.9
111.04510	3.7
111.08129	2.1
113.02431	1.5
114.01990	0.9
115.04006	11.7
117.05531	0.9
121.06552	3.5
123.08160	16.7
127.03998	1.1
131.03506	4.7
133.06624	1.4
141.09265	1.3
143.03516	5.2
145.05077	4.6
151.07640	3.8
153.09195	5.6
159.10269	3.9
171.10355	1.9
195.03175	1.0
195.06590	0.9
231.08752	1.8
303.14505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60696	1.5
52.93365	1.5
64.56771	1.6
68.14508	1.6
70.81759	1.5
72.32274	1.7
75.00867	7.4
82.68341	1.5
87.41561	1.5
89.35627	1.6
103.28378	1.7
107.65129	2.0
115.38628	1.7
116.26266	1.9
128.93066	2.1
167.14432	32.8
174.37059	1.9
179.52908	1.8
189.05769	1.9
196.50562	1.7
211.13443	50.9
227.16470	2.0
229.14471	100.0
285.00519	3.2
303.01474	7.7
303.12531	3.9
303.18146	61.0
303.21790	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1815
Annotation	oscr#10
Peak:m/z	Relative Intensity
59.01376	0.7
83.04971	0.6
132.74600	0.7
139.63678	0.7
143.08002	0.6
167.14415	33.4
167.15833	1.2
202.64243	0.6
208.43718	0.6
211.13416	69.1
229.14455	100.0
303.01651	1.3
303.04996	0.9
303.08929	0.9
303.12906	1.2
303.18237	46.4
303.21817	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1967
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
50.42368	0.4
50.94969	0.4
52.81153	0.4
54.05425	0.4
57.03452	12.6
60.40559	0.4
71.05021	7.1
75.49581	0.5
83.05025	6.6
85.46935	0.5
91.75927	0.4
97.06583	5.6
109.06571	2.1
116.71267	0.5
123.08126	0.5
172.39426	0.5
177.12885	2.2
191.14433	7.8
241.19553	0.6
259.20676	40.8
303.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2177
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
59.01371	2.2
91.33411	0.5
92.22469	0.8
99.08143	1.3
115.07647	3.2
128.55864	0.6
147.69563	0.5
169.12332	2.5
181.12448	0.6
185.11830	17.4
192.33998	0.6
199.13409	3.8
215.12892	11.3
249.18582	2.6
267.19638	3.5
267.51648	0.5
285.20703	11.9
285.23218	0.7
303.01596	0.5
303.21793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2179
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
50.88477	0.4
51.69334	0.4
59.01370	2.1
82.80186	0.4
99.08138	0.9
104.43728	0.4
108.56757	0.4
113.06089	0.8
115.07652	3.9
128.28726	0.4
129.13837	0.4
141.12910	0.5
158.45441	0.4
169.12321	2.0
181.12346	1.0
185.11827	17.3
191.20059	0.5
197.11797	0.8
199.13397	2.1
213.11113	0.4
215.12860	18.0
249.18607	1.9
259.02612	0.5
259.16940	0.8
267.19547	3.7
283.19183	2.3
285.20715	12.5
285.23715	0.7
303.01703	0.8
303.12375	1.8
303.16086	2.9
303.21790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29192	0.8
59.01381	9.3
96.77362	0.8
125.18208	1.0
134.36589	0.8
137.47597	0.8
155.49660	0.9
259.24274	7.6
303.23343	100.0
319.64639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
69.89061	0.7
88.16281	0.6
95.05196	0.7
95.86448	0.7
130.54089	0.8
138.96980	0.7
259.24203	0.9
285.69550	0.7
303.23325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22863	0.5
59.01382	11.2
59.86164	0.5
60.01716	0.9
61.98832	100.0
63.90068	0.5
65.08195	0.5
66.36406	0.5
74.76848	0.6
77.13320	0.5
84.51350	0.6
88.59731	0.5
91.22752	0.5
101.82221	0.5
110.78024	0.5
119.00188	0.6
159.01488	4.7
160.01640	9.9
161.01176	8.7
161.98940	27.4
162.01643	0.9
202.02664	1.0
203.02351	2.8
203.99953	4.8
238.56744	0.6
259.10257	0.6
304.00079	30.3
304.02881	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
64.93254	0.4
66.24934	0.3
69.03461	0.5
71.01376	0.5
72.99301	2.2
80.31690	0.4
84.04552	1.8
89.30421	0.4
94.61807	0.4
99.74847	0.4
103.00389	0.6
109.67667	0.4
113.02444	3.6
126.05642	0.6
128.03534	100.0
154.05115	0.9
168.06615	1.6
170.04570	4.6
180.06641	4.1
182.04622	0.5
199.94002	0.4
200.05661	24.9
212.05705	0.7
217.29323	0.4
224.05698	4.7
228.26088	0.5
229.53891	0.4
230.06741	3.8
242.06700	8.3
260.07739	6.4
286.05637	0.6
304.06848	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
64.93254	0.4
66.24934	0.3
69.03461	0.5
71.01376	0.5
72.99301	2.2
80.31690	0.4
84.04552	1.8
89.30421	0.4
94.61807	0.4
99.74847	0.4
103.00389	0.6
109.67667	0.4
113.02444	3.6
126.05642	0.6
128.03534	100.0
154.05115	0.9
168.06615	1.6
170.04570	4.6
180.06641	4.1
182.04622	0.5
199.94002	0.4
200.05661	24.9
212.05705	0.7
217.29323	0.4
224.05698	4.7
228.26088	0.5
229.53891	0.4
230.06741	3.8
242.06700	8.3
260.07739	6.4
286.05637	0.6
304.06848	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42196	2.3
66.15990	2.7
70.84567	3.3
78.56867	2.4
79.83244	2.6
80.70659	2.5
81.11107	2.4
81.76651	2.7
86.27833	2.8
181.12357	64.7
207.10208	3.8
213.14925	6.0
225.11363	100.0
228.12433	30.5
242.13879	4.3
257.13940	5.4
272.11459	47.8
304.14133	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
107.75689	2.9
181.12355	76.0
207.10284	3.2
213.15053	6.0
215.76508	3.2
225.11339	100.0
228.12418	25.0
257.13974	6.0
272.11465	41.4
306.82751	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03656	0.7
58.02975	38.5
65.18594	0.7
78.51060	0.7
89.24564	0.8
115.50259	0.8
118.82261	0.7
143.50029	0.7
168.13934	100.0
304.19247	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89589	0.8
54.36618	0.9
59.01377	1.4
79.71765	1.1
84.36169	0.9
84.43071	0.9
84.83620	0.9
93.46397	0.9
222.05182	1.1
260.24762	1.3
276.94370	1.1
304.23660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09006	0.6
52.98131	0.6
71.01379	6.3
71.42853	0.6
72.99300	1.4
87.00861	0.8
89.02416	0.9
115.00365	39.7
133.01431	100.0
143.04636	0.9
151.64908	0.7
156.92039	0.6
191.05643	12.5
193.85974	0.7
236.02147	0.7
304.99301	0.9
328.56116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22230	1.0
59.01384	100.0
65.87261	1.1
66.25047	1.0
74.99100	2.4
78.00703	1.1
84.63410	1.1
87.00861	1.7
87.62382	1.1
103.00378	20.9
103.01958	1.2
118.73810	1.4
124.03230	1.3
128.31218	1.1
175.06126	7.6
195.92821	1.2
200.75165	1.4
248.59904	1.5
305.07309	1.6
305.10605	4.9
308.09286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	41.0
68.92487	0.5
79.95750	2.0
80.96513	26.5
82.96104	1.2
96.96003	94.1
100.07764	0.5
108.74663	0.5
147.08139	1.1
165.09161	1.0
171.10275	3.4
181.12352	0.8
202.02753	0.7
217.05136	1.0
225.11346	38.9
245.04485	0.6
253.74763	0.5
261.04047	0.8
305.07071	100.0
305.10602	10.3
305.16125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20459	0.8
52.70592	0.9
59.01378	5.1
61.16642	0.8
63.94775	0.9
64.00323	0.9
67.67413	0.9
68.99554	5.2
69.03474	1.3
71.01389	1.6
72.92901	0.9
73.02942	3.9
81.29806	1.0
83.05014	1.3
85.02949	5.3
87.00864	9.2
87.32972	0.9
93.03446	6.3
99.00889	1.9
109.02941	1.4
111.04511	4.9
112.98548	8.8
113.02448	2.4
117.01917	8.0
127.04027	2.5
133.01427	5.4
137.02467	4.2
143.03584	1.3
143.04636	6.4
151.04085	1.4
153.01964	1.3
155.03477	2.5
171.02957	2.0
173.04578	13.3
177.05620	1.1
191.05634	100.0
215.05443	1.2
245.06581	1.5
269.06830	1.4
305.01019	6.1
305.05341	2.0
305.08829	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33580	0.6
58.25914	0.5
72.30116	0.6
72.85096	0.6
73.02937	1.3
85.02971	0.9
85.59267	0.5
89.25821	0.6
96.96952	1.4
98.06084	0.8
99.05640	8.4
100.04038	19.7
100.04644	1.2
101.02441	18.7
102.87894	0.6
108.45934	0.6
110.01454	0.7
110.86790	0.6
114.01970	1.1
117.01940	1.5
131.11227	0.7
134.68434	0.6
143.04623	100.0
146.42429	0.7
157.24165	0.8
169.09557	0.7
185.05733	6.3
190.07225	1.4
207.05103	1.5
215.06757	13.0
245.07715	0.9
286.57687	0.7
305.09933	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63971	0.4
59.36026	0.4
60.63634	0.4
60.86781	0.4
65.87802	0.4
70.75137	0.4
79.95741	2.2
80.96516	100.0
88.02641	0.4
106.01312	0.4
115.16669	0.4
168.34453	0.5
305.10663	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79100	0.4
59.01377	2.0
61.84194	0.4
71.01371	0.6
82.02978	1.9
82.21809	0.6
96.04527	1.0
117.53029	0.5
122.03696	0.7
122.06116	1.2
138.05615	100.0
188.07147	1.0
190.08662	0.6
218.06941	2.0
218.11897	2.0
233.09311	6.7
244.09785	1.0
245.09410	0.6
261.12497	9.2
283.91644	0.5
287.10492	0.9
305.11469	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1147
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01380	0.5
60.17117	0.2
66.87389	0.3
79.31108	0.3
79.51483	0.3
82.02974	3.4
89.80247	0.3
96.04555	2.1
98.52885	0.3
120.04550	0.4
122.03748	1.5
122.06118	1.5
136.04033	1.3
138.05612	100.0
173.80623	0.3
178.08719	0.6
188.07204	0.7
190.08713	0.4
202.08670	0.7
216.10356	0.6
218.06976	1.7
218.11969	2.3
226.54199	0.3
233.09323	6.8
244.09818	0.6
245.09373	0.4
261.09662	0.4
261.12469	10.1
287.10577	0.7
305.11469	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93754	0.3
58.20273	0.3
59.01405	0.3
59.90561	0.2
67.66176	0.3
68.14503	0.3
75.00829	0.3
80.76446	0.3
82.02991	3.1
88.20316	0.3
94.02962	0.3
96.04558	1.9
122.03738	1.4
122.06140	2.6
136.04001	0.5
138.05620	100.0
176.07074	0.4
177.37209	0.3
188.07249	0.7
190.08861	0.4
191.47650	0.4
202.08813	0.5
216.10361	0.5
218.06973	2.0
218.11847	2.2
233.09329	8.1
244.09933	1.3
245.09244	0.4
261.12457	10.7
282.54749	0.4
287.10446	1.4
305.11475	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01382	11.1
73.02940	3.8
73.48924	0.6
82.46692	0.7
83.01387	1.2
85.02947	6.1
89.02433	1.0
97.02899	0.8
99.00871	1.4
101.02439	9.9
101.06076	6.1
113.02449	4.9
161.04533	6.7
168.84445	0.7
175.25761	0.9
190.25304	0.7
214.24634	0.8
263.11380	9.3
287.13052	0.8
305.11679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19883	0.7
59.01386	100.0
65.45997	0.8
71.01379	15.4
73.02951	4.7
75.00395	0.9
75.77898	0.9
83.01398	1.4
85.02955	7.2
89.02434	14.1
99.00860	1.4
101.02446	15.8
113.02458	9.1
119.03480	4.4
125.06073	2.0
159.02921	1.1
161.04550	5.2
175.39943	0.9
245.10165	1.6
263.11380	18.8
305.05032	4.3
305.12363	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19883	0.7
59.01386	100.0
65.45997	0.8
71.01379	15.4
73.02951	4.7
75.00395	0.9
75.77898	0.9
83.01398	1.4
85.02955	7.2
89.02434	14.1
99.00860	1.4
101.02446	15.8
113.02458	9.1
119.03480	4.4
125.06073	2.0
159.02921	1.1
161.04550	5.2
175.39943	0.9
245.10165	1.6
263.11380	18.8
305.05032	4.3
305.12363	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88179	0.6
54.54449	0.6
56.20052	0.6
59.01382	100.0
59.81216	0.6
62.57356	0.7
71.01379	16.5
73.02937	6.0
83.01392	3.9
85.02941	7.4
87.00879	0.8
89.02438	10.5
89.64156	0.7
93.03412	0.8
95.01413	0.9
97.02934	0.9
99.00876	0.8
100.09910	0.8
101.02448	17.2
113.02459	9.1
119.03490	4.3
125.02410	1.3
135.04617	0.8
139.20210	0.8
143.03542	0.8
161.04541	4.9
242.05882	0.9
245.10248	2.8
261.03433	0.8
261.08713	1.0
263.11362	17.6
283.21063	0.9
304.45679	0.9
305.09006	1.5
305.12488	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80452	0.7
54.11917	0.6
59.01382	100.0
68.23176	0.7
70.20039	0.7
71.01373	15.4
73.02936	5.7
74.45880	0.7
83.01398	1.7
85.02944	7.3
87.00883	0.7
88.17792	0.7
89.02444	13.3
99.00853	1.5
100.10336	0.8
101.02444	22.4
113.02448	10.6
119.03478	5.5
124.58037	0.9
125.91587	0.8
145.00957	0.8
160.22339	0.9
161.04581	6.6
188.99808	1.6
232.98807	1.8
245.10297	1.0
263.11349	21.0
305.12494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25026	0.7
59.01381	100.0
71.01364	9.1
71.09441	0.7
73.02945	3.7
83.01384	1.3
85.02946	4.0
87.00883	0.7
99.00900	1.4
101.02430	11.5
101.06072	6.0
102.54910	0.7
113.02435	6.1
124.31145	0.7
125.02412	1.0
127.05848	0.9
136.69701	0.9
147.31831	0.8
151.04051	1.0
161.04552	6.4
203.08307	1.8
223.13951	0.9
245.10269	0.9
263.11447	10.8
305.16345	1.1
307.03888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1395
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
59.01363	1.0
60.23510	0.7
61.13733	0.6
71.01385	0.7
72.25696	0.6
73.36320	0.6
87.82179	0.8
108.02173	14.6
123.04471	0.9
133.02931	3.2
135.04543	1.1
148.05293	4.1
149.02475	1.3
150.03191	7.0
161.06065	5.4
162.03210	3.0
168.02171	0.7
169.12344	1.2
176.04784	12.6
186.67918	0.7
197.11830	20.9
233.15338	1.3
246.50137	0.8
249.15054	1.1
259.13397	30.6
261.14810	1.1
269.11829	0.9
277.14468	3.4
287.12918	68.2
305.13968	100.0
305.17163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1609
Annotation	Creoside II
Peak:m/z	Relative Intensity
58.26627	1.0
59.01381	70.8
63.39320	1.0
68.74608	1.1
72.96392	0.8
73.12435	0.9
88.14247	1.0
151.11267	4.6
169.12343	41.7
171.10275	73.4
171.11754	2.4
213.11331	4.4
231.12384	11.3
287.14966	1.9
305.16086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10866	1.6
51.72038	1.5
55.61631	1.7
57.03448	8.2
59.01382	7.4
59.74982	1.6
65.03960	2.0
83.05000	7.7
86.15030	1.7
91.52582	1.7
95.05034	10.4
97.06573	12.3
113.09213	1.5
113.09723	24.7
120.05782	3.8
121.06576	3.4
121.10206	2.1
133.06656	1.8
135.08153	26.7
139.11288	9.3
145.85771	2.0
147.08174	15.0
163.11301	44.3
177.12845	24.2
179.14389	2.3
185.11812	2.6
200.60638	1.9
207.10291	16.5
243.17572	4.6
261.18625	11.1
287.16583	11.6
305.17603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
58.90360	1.5
61.39340	1.3
65.63184	1.3
71.05019	31.7
81.03452	1.5
91.35879	1.8
95.05035	13.4
97.85280	1.8
106.04269	2.5
109.06575	11.1
111.04517	1.8
121.06595	3.9
123.08189	2.6
131.87773	1.8
135.08138	3.6
150.06918	1.8
165.09209	7.4
169.77156	1.6
189.12825	19.8
205.15927	10.9
231.13974	2.4
233.11752	6.5
233.15697	1.9
243.17561	8.8
249.14954	12.8
287.16556	61.0
287.20044	2.0
287.21283	3.4
288.19833	6.2
305.17664	100.0
305.21872	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
53.99172	1.1
57.03445	1.8
58.30440	1.2
59.01381	7.1
93.58323	1.3
97.06570	2.7
120.05777	5.6
123.04546	2.3
123.08247	1.4
125.09744	13.7
125.84375	1.4
135.08168	48.6
137.09718	2.0
141.12897	7.1
147.04521	2.0
157.57828	1.3
160.08965	1.3
175.07663	2.9
180.72362	1.3
185.10251	2.5
185.11847	58.1
189.12860	5.4
243.17665	18.1
259.60452	1.4
261.18683	1.9
269.15466	2.4
287.16577	47.6
305.17642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03453	1.8
59.01382	1.0
65.03967	1.6
68.17576	1.1
68.60665	1.0
71.05013	8.6
79.05524	9.0
91.22735	1.2
92.96896	0.9
95.05038	1.8
97.06581	17.6
106.04234	4.8
107.05021	2.0
107.31198	0.9
109.06578	1.1
115.73006	1.1
120.05800	3.4
121.06577	5.0
123.08136	8.2
125.09699	15.6
135.08163	100.0
137.09712	2.3
137.42398	1.0
151.11308	4.8
163.11325	2.3
181.15813	1.1
183.10269	1.3
188.94827	1.0
205.15961	8.0
207.10294	1.5
209.11984	1.4
221.11914	1.2
231.13803	1.7
233.11737	1.1
249.14973	50.9
278.37930	1.1
287.16537	3.8
305.17630	97.2
317.05771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99480	0.6
51.58021	0.6
52.81604	0.6
55.85078	0.6
59.01387	1.5
59.50232	0.6
60.79712	0.6
62.43937	0.7
65.62686	0.6
95.84268	0.8
162.95876	0.7
271.96924	0.7
305.24887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
63.74843	0.5
74.03279	0.6
83.41325	0.6
86.32714	0.6
97.76276	0.6
117.11098	0.6
151.40532	0.6
157.73447	0.6
209.18095	0.6
210.74818	0.7
297.36078	0.6
305.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0411
Annotation	Oxocularicine
Peak:m/z	Relative Intensity
57.01266	0.4
60.56779	0.4
65.27488	0.4
65.69556	0.4
80.51805	0.4
82.40658	0.4
150.40466	0.5
156.23520	0.5
196.07483	0.6
212.21642	0.6
222.05379	0.5
227.25259	0.5
234.05392	0.5
250.05142	4.3
278.04584	100.0
306.04092	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.041
Annotation	Oxocularicine
Peak:m/z	Relative Intensity
56.18621	0.5
62.88096	0.5
68.16459	0.6
77.49210	0.5
157.25673	0.6
195.84900	0.6
196.07718	0.9
206.06110	0.9
210.05638	0.7
222.05640	3.4
225.35437	0.6
236.03531	1.0
244.09004	0.6
245.80516	0.6
250.05101	17.5
278.01505	1.0
278.04605	54.6
306.04108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10053	0.4
71.01382	2.8
77.09779	0.4
86.02472	7.5
88.04045	1.0
96.04568	0.5
108.08407	0.4
108.22301	0.4
110.02470	100.0
111.00872	7.5
115.00385	6.7
132.03035	7.1
138.05705	1.4
154.01543	1.0
158.04584	5.6
182.04587	8.4
202.03442	1.4
217.05959	0.4
219.01694	0.6
226.01350	1.0
226.03586	25.4
257.63693	0.4
263.05753	0.5
270.02606	2.8
288.03653	19.5
291.05273	0.6
306.07742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10053	0.4
71.01382	2.8
77.09779	0.4
86.02472	7.5
88.04045	1.0
96.04568	0.5
108.08407	0.4
108.22301	0.4
110.02470	100.0
111.00872	7.5
115.00385	6.7
132.03035	7.1
138.05705	1.4
154.01543	1.0
158.04584	5.6
182.04587	8.4
202.03442	1.4
217.05959	0.4
219.01694	0.6
226.01350	1.0
226.03586	25.4
257.63693	0.4
263.05753	0.5
270.02606	2.8
288.03653	19.5
291.05273	0.6
306.07742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84864	2.5
58.02973	7.9
59.01416	2.8
61.96337	2.6
62.42361	3.0
67.32017	2.8
74.02472	20.0
76.07092	3.0
81.09879	2.8
86.02482	4.9
87.05630	5.9
99.05632	20.2
101.33018	2.9
127.05164	4.8
128.03525	47.1
131.04666	3.3
136.47125	3.3
141.06758	4.9
143.04613	100.0
145.06174	3.8
145.29813	3.6
160.00716	15.2
162.22147	3.2
167.04646	3.4
177.03366	7.3
179.04628	15.8
210.08771	15.6
254.07751	13.7
272.08896	31.7
303.56693	3.7
306.07681	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02966	6.9
58.55589	1.2
59.18502	1.1
62.64607	1.1
74.02471	22.1
86.02489	10.0
87.05654	5.4
91.46918	1.2
97.04060	2.1
99.05639	22.5
101.07198	3.0
102.24209	1.6
111.05672	2.0
112.04030	2.5
115.54977	1.3
116.01704	1.9
124.54744	1.4
127.05116	2.4
128.03540	62.9
130.61505	1.3
131.04605	1.7
135.05629	5.3
137.07170	1.5
141.06689	12.4
143.04630	100.0
145.06174	2.5
146.04588	7.9
153.06714	7.7
155.08232	1.6
160.00752	18.2
166.09850	2.5
167.04604	6.8
177.03384	7.1
179.04605	14.8
180.07599	1.8
181.06207	1.8
185.05818	2.1
192.07832	2.1
198.08846	2.4
210.08861	12.2
254.07791	18.5
272.08929	32.7
288.06601	10.5
306.07700	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0776
Annotation	Artabonatine D
Peak:m/z	Relative Intensity
55.70922	1.1
90.09717	1.3
92.23127	1.4
113.61580	1.3
113.62503	1.3
120.48664	1.3
143.62708	1.3
166.88535	1.3
194.06111	1.7
220.03955	10.7
222.05632	7.9
233.04805	2.3
234.05634	5.9
236.03526	2.5
248.03528	70.9
249.04311	8.8
250.01385	9.3
250.05090	16.7
261.04385	2.6
262.05106	31.4
263.05872	23.3
265.03882	8.1
275.02225	5.6
276.03036	36.2
277.03891	13.9
278.04645	43.5
280.06250	17.7
290.04617	55.1
291.05408	41.4
306.04099	82.2
306.07755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	69.5
71.01385	94.5
85.69690	42.0
101.02438	49.5
113.02440	42.7
136.53387	51.7
142.59760	44.9
161.04587	54.4
204.11641	39.1
262.04214	41.7
263.11453	100.0
286.42841	41.1
295.87665	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79740	13.6
59.01382	95.2
59.05487	12.6
63.98754	14.6
65.83409	14.6
71.01398	35.1
74.23571	14.2
89.02428	20.5
101.02437	20.9
114.88345	16.5
177.07919	15.3
263.11322	100.0
310.30981	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1714
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
57.03453	0.8
60.00421	0.6
63.07198	0.7
67.56298	1.0
77.91650	0.8
90.18482	0.8
97.06573	4.1
109.19430	0.9
112.36948	0.8
117.07102	1.0
119.04995	3.1
123.08228	1.6
125.09710	47.3
136.07661	1.9
137.86581	1.0
139.77306	0.8
142.12357	7.5
157.25443	0.7
162.05617	17.6
168.10266	4.0
186.11359	4.3
262.18121	5.2
288.16049	20.4
306.17139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2074
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
50.09194	0.4
51.36917	0.4
51.66584	0.4
59.30939	0.7
64.73213	0.5
73.71980	0.4
97.06550	0.8
125.09720	6.5
135.22208	0.5
136.11313	20.2
140.81677	0.7
164.14430	1.1
166.85858	0.6
175.39038	0.7
190.12393	2.2
208.13448	6.9
209.10548	0.7
220.96906	0.6
244.20734	5.3
262.21790	13.0
270.18643	2.8
288.19708	28.4
302.71246	0.6
306.20789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72073	0.5
55.83878	0.5
58.78236	0.6
68.63728	0.6
70.47443	0.6
80.27609	0.5
84.88457	0.6
85.88011	0.5
86.16081	0.6
92.22471	0.6
111.57433	0.6
127.04512	0.6
177.11572	1.1
208.17500	0.6
209.14139	0.7
242.04231	0.6
262.21689	5.6
270.18643	3.7
278.04654	5.0
279.74500	0.6
288.19702	100.0
306.04272	4.6
306.20761	98.0
321.95288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12828	0.4
75.97424	0.4
85.38571	0.4
122.37734	0.5
145.73935	0.5
177.11511	0.9
230.94751	0.5
248.03476	0.9
262.21729	6.1
270.18652	3.2
271.55753	0.6
288.19727	100.0
306.04114	0.7
306.20789	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71828	0.6
59.01380	1.7
62.10749	0.6
63.94774	0.8
65.00006	0.7
89.57321	0.8
98.53589	0.9
119.23636	0.7
141.20169	0.9
152.28362	0.7
199.54582	0.9
290.11948	0.8
306.25241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
72.00887	2.3
72.04548	11.4
74.29078	1.9
74.41944	2.8
83.01392	4.9
87.05623	4.8
88.04065	4.4
88.64772	2.3
90.59294	1.9
91.05533	25.6
99.05657	3.5
100.04051	74.7
112.35628	2.3
113.02486	3.0
115.05125	54.4
118.65299	2.2
119.05070	3.1
133.02956	10.5
134.03712	23.9
135.04524	2.3
137.53250	2.3
139.97429	2.9
144.03015	31.0
145.02937	2.9
147.04556	3.0
149.06065	11.1
154.03751	2.2
160.01643	49.8
175.04004	100.0
176.07169	12.8
177.01932	10.5
178.02716	9.4
193.05063	30.5
201.10355	3.7
204.02451	2.9
235.10909	29.8
245.09460	18.2
261.08817	3.7
263.10306	12.9
289.08215	4.6
292.06140	18.2
292.08701	3.0
307.08176	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1192
Annotation	5'-Hydroxyasperentin
Peak:m/z	Relative Intensity
59.01381	7.1
85.06584	2.5
117.03436	6.0
117.95018	1.2
121.06506	1.3
131.07130	20.5
133.02956	1.5
134.03746	98.9
134.08450	1.3
135.04562	1.7
137.02466	1.2
137.26836	1.2
148.05330	4.9
149.06088	14.1
160.01668	36.0
161.02477	5.4
162.03204	2.1
175.04004	100.0
189.47165	1.2
193.05072	72.4
201.10933	1.3
204.11571	5.0
218.55917	1.1
223.13425	15.5
251.71904	1.3
289.18085	1.8
307.11975	48.9
307.15347	2.7
307.18878	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05280	0.9
59.01365	1.4
65.03938	1.2
70.53859	1.1
71.27225	1.0
97.06572	2.2
107.05047	2.9
121.06559	1.4
134.03720	8.9
135.04521	10.0
149.06081	1.7
162.03255	5.4
163.04005	46.4
164.04803	1.6
166.02760	8.4
177.05557	8.4
178.06390	4.8
181.05215	3.6
183.06624	4.9
185.11761	2.4
190.02689	15.8
194.41960	1.1
205.05084	18.2
207.02975	23.1
222.05333	17.5
233.08215	5.2
235.13422	1.4
248.10657	2.6
249.14935	1.8
277.07220	7.3
289.17834	1.9
292.09613	13.0
307.11911	100.0
307.18695	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92454	0.9
59.01384	0.9
62.80731	0.8
63.92197	0.8
63.96243	21.2
72.99297	17.0
73.98316	4.7
74.76183	1.0
74.99088	4.3
75.00889	1.7
81.47951	0.9
115.90863	0.9
117.97278	18.9
135.98354	100.0
136.99155	1.2
157.17987	1.3
166.29552	0.9
178.95477	1.0
187.13480	1.5
201.04170	1.2
307.08698	2.7
307.12070	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19782	0.7
57.03433	1.8
58.99604	38.6
59.01382	5.5
63.96247	6.0
65.56738	0.6
71.01349	1.4
72.99301	8.8
73.98286	3.4
74.99088	72.6
75.00852	1.6
85.01135	4.3
87.00863	11.0
87.99875	9.3
89.02398	5.1
92.58511	0.7
97.06583	15.9
99.08096	1.2
107.29296	0.8
113.02387	1.1
115.02194	6.3
117.97318	6.6
118.98038	1.1
128.02908	1.2
135.04478	0.7
135.98366	26.0
136.98137	1.6
136.99138	42.2
137.09662	3.1
143.04318	1.2
143.05344	22.4
144.05745	0.7
145.08681	8.9
146.04070	5.7
155.05283	4.9
179.03415	1.4
183.08478	16.7
195.46791	0.8
249.08084	6.6
271.09940	0.8
289.11160	23.7
307.12054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40522	0.4
59.01381	100.0
71.01382	2.5
79.37601	0.5
85.02959	0.7
89.02447	2.2
92.23045	0.6
101.02444	2.5
113.02440	0.9
116.78715	0.5
119.03485	0.9
127.07619	0.6
145.08786	0.6
161.04512	0.7
163.94980	0.5
164.00949	0.5
199.96364	0.7
240.38301	0.6
247.11847	1.0
247.57054	0.5
307.14026	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
59.01382	27.1
68.93061	0.9
71.01379	12.5
72.49154	1.1
74.09980	1.1
79.47559	1.4
85.02930	2.1
88.15577	1.1
89.02440	24.4
95.01393	1.2
99.08183	10.6
99.08717	1.3
101.02435	12.7
102.86990	1.4
108.22810	1.0
113.02429	7.3
119.03465	6.8
127.07658	1.5
141.09196	1.3
145.08702	55.1
162.70840	1.1
207.18758	1.1
277.05316	1.4
307.14032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01384	1.0
89.02438	4.4
96.66988	0.4
101.02442	1.8
113.02452	0.8
119.03521	2.2
179.05630	1.7
181.69772	0.6
193.06171	0.6
221.29233	0.5
225.05647	0.5
247.12036	0.6
307.13937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.6
64.36504	0.6
71.01383	14.9
72.99227	0.6
73.02933	1.4
83.01408	1.2
85.02956	3.1
89.02441	20.1
99.08157	9.9
101.02440	12.1
113.02433	9.4
119.03503	8.4
127.07661	3.7
129.09236	2.9
141.09201	1.3
145.08702	64.6
178.31895	0.7
179.05666	0.9
180.38531	0.7
187.09833	0.7
223.89803	0.8
224.53488	0.6
286.23657	0.7
307.14032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92317	1.3
59.01384	33.2
61.93665	1.2
63.12113	1.1
70.02069	1.1
71.01385	14.8
73.02960	1.2
74.18046	1.1
79.05167	1.1
85.02934	1.4
86.50906	1.1
89.02442	21.1
99.08155	12.3
101.02431	15.5
111.32520	1.3
111.75627	1.5
113.02431	9.2
119.03489	6.8
127.07642	1.7
129.09195	1.4
135.20157	1.2
141.09270	1.6
145.08708	58.1
171.22984	1.4
187.24825	1.2
188.73528	1.4
191.05659	7.7
307.14044	100.0
317.62250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73523	0.9
56.98286	0.9
59.01099	2.0
59.01382	36.6
71.01383	11.3
73.02974	1.8
85.02947	4.3
89.02438	24.8
99.08156	12.8
101.02438	14.2
112.86829	1.0
113.02446	9.1
114.57148	1.0
119.03474	9.6
119.05020	1.7
119.62993	0.9
127.07638	6.3
133.02884	4.6
141.09250	1.7
145.02963	3.7
145.08710	67.9
153.71393	1.2
156.77922	1.2
187.09837	1.4
211.53346	1.1
307.08810	7.3
307.14023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06536	0.6
54.19477	0.5
57.30811	0.5
59.01381	32.6
70.37663	0.7
71.01379	16.2
72.99283	0.6
73.02939	1.3
75.00867	4.3
75.75237	0.7
82.86691	0.6
83.01414	1.6
83.21481	0.8
85.02945	5.4
87.00842	0.8
89.02435	19.8
99.08154	8.6
101.02451	18.4
113.02446	11.0
119.03494	8.4
125.35921	0.6
127.07642	2.8
128.12402	0.8
129.09233	2.8
145.08705	54.1
161.04576	3.0
171.10303	3.5
201.11368	1.2
209.11838	1.1
307.14041	100.0
307.17358	3.4
319.11249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69812	0.7
54.13540	0.7
55.10423	0.6
55.76012	0.6
56.75476	0.6
59.01381	32.8
70.11412	0.7
70.38197	0.8
71.01389	15.9
72.99300	0.9
73.02937	0.9
85.02927	1.4
89.02438	24.3
99.08161	13.7
101.02427	12.3
113.02468	6.7
119.03499	10.6
127.07651	5.6
129.09180	1.4
141.09190	2.1
145.08704	63.6
156.72662	0.8
161.04523	0.9
163.61723	0.9
174.60732	0.8
187.09744	1.8
200.20731	1.0
286.76434	0.8
307.14017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.72547	0.8
58.75845	0.8
59.01379	40.0
62.76671	0.9
66.91709	0.8
71.01379	15.0
73.02950	2.4
78.03650	0.9
83.01355	1.0
85.02942	4.7
89.02427	21.1
92.22567	1.0
95.01391	1.0
99.08147	8.2
100.01142	1.0
101.02430	18.2
101.32657	1.0
113.02454	9.6
119.03490	9.2
127.07679	1.4
129.09207	1.3
145.08707	56.7
161.04544	4.1
187.09857	1.1
307.14047	100.0
307.17532	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
56.47973	1.7
57.03447	2.3
57.13086	1.8
59.01382	100.0
66.77135	1.8
71.01377	73.2
72.99317	8.3
73.02930	22.2
75.00874	2.2
83.01377	11.7
83.05027	4.6
85.02948	35.8
87.00857	4.4
88.16548	2.1
89.02446	49.7
95.01365	5.0
99.00869	3.0
101.01778	2.8
101.02444	72.5
111.04546	2.1
113.02448	37.6
119.03487	12.5
119.63470	2.1
125.02439	2.0
127.03947	16.2
154.51149	2.2
155.03502	10.6
159.03021	3.9
161.02428	2.9
161.04555	47.0
199.02640	3.2
217.03542	15.8
283.26068	2.4
307.14151	3.9
307.17639	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03680	1.9
55.01883	3.7
57.03456	3.2
59.01385	100.0
60.37667	2.0
60.63528	2.4
71.01385	79.1
73.02946	29.3
83.01403	18.2
85.02956	45.1
89.02444	35.4
95.01360	4.3
97.02934	2.6
99.00905	5.2
101.02444	79.6
113.02446	44.0
119.03510	11.4
159.02950	12.1
161.04553	63.2
173.86754	2.2
208.78001	2.5
225.11316	11.9
292.06238	4.1
307.08447	12.8
307.17612	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06911	2.4
54.47003	2.1
55.01871	2.9
56.14949	2.2
57.03458	2.9
58.00151	2.6
59.01384	100.0
63.69645	2.6
71.01379	84.6
73.02953	34.0
74.91251	3.0
83.01389	15.8
85.02945	41.3
85.50698	2.6
87.00816	2.9
89.02442	26.9
99.00880	6.4
101.02441	95.8
110.71963	2.5
113.02462	38.4
119.03504	4.8
123.38521	2.7
146.55489	2.8
159.02985	6.1
161.04558	48.4
180.01273	2.8
191.05659	5.2
289.70670	3.2
292.42468	3.0
307.08478	3.4
307.17651	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
66.67218	1.2
136.05299	8.9
139.91252	1.7
202.16467	1.4
245.19046	6.4
263.20212	29.3
289.18103	23.2
307.15622	3.5
307.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60360	0.9
54.51361	0.6
59.01376	1.7
70.30771	0.7
96.95996	0.8
125.09695	4.3
137.09697	6.0
139.11275	1.1
181.12308	1.1
213.11340	1.2
227.23482	0.8
231.17525	1.1
233.62021	0.7
245.19109	6.1
263.20193	8.8
268.07291	0.8
289.18076	8.9
289.21588	2.7
307.19183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92858	0.7
58.52797	0.7
59.01384	1.8
59.96454	0.6
75.25010	0.7
97.06550	0.9
98.03694	0.6
109.47873	0.8
113.09749	1.1
125.09706	1.1
139.70691	0.7
141.09210	13.9
163.11304	1.1
191.14494	3.6
209.11893	1.3
213.88689	0.7
214.25832	0.8
235.20689	0.9
245.19153	3.8
263.20093	1.2
279.50885	0.9
289.18118	4.6
291.34018	0.8
307.19180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01371	3.5
60.17388	2.3
65.03658	3.3
65.03970	49.7
71.05017	48.5
75.80978	2.3
94.03462	2.6
97.06577	82.4
104.81773	2.5
105.28565	2.9
119.08694	10.1
121.06587	91.9
124.81930	2.8
125.09708	54.3
129.51247	2.6
137.09724	5.0
139.22166	3.0
159.52271	2.7
182.27811	2.7
185.11850	87.8
209.11839	29.1
211.13377	34.1
235.13422	100.0
249.15167	3.1
289.18130	31.2
307.19202	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.7
57.04083	2.2
65.03966	47.7
71.05012	40.4
97.06582	75.9
105.16544	2.8
119.08651	13.6
121.06586	99.0
125.09699	67.4
137.09706	11.5
141.12898	2.7
150.41537	2.5
164.77863	2.8
185.11819	100.0
209.11858	46.8
211.13426	40.5
235.13403	90.2
289.18130	28.7
307.19177	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80227	1.2
54.64395	1.2
55.01865	1.6
60.10535	1.4
65.03963	53.6
71.05016	38.0
81.07094	1.4
83.05029	1.4
85.66309	1.4
97.06581	75.5
119.08639	12.4
121.06587	100.0
123.08204	2.4
125.09708	58.1
130.66177	1.7
137.09750	3.5
141.12860	2.0
158.37674	1.5
158.65660	1.6
163.11412	2.3
185.11839	91.1
209.11865	39.4
211.13422	41.1
235.13400	96.2
273.51532	1.6
289.18127	22.3
307.19199	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.9
59.01379	10.7
65.03968	17.9
71.05020	15.9
83.05025	8.2
95.05019	2.6
97.06586	26.9
107.05050	1.4
109.06585	8.9
113.09721	38.0
119.08628	5.6
121.06580	38.1
125.09702	20.2
133.06580	1.5
135.08203	4.9
137.09708	5.0
149.09732	36.3
157.08611	4.8
163.07587	1.4
163.11284	28.4
164.52176	1.4
169.08647	1.4
181.08725	10.9
185.11842	29.7
191.14438	2.6
193.08635	1.8
198.84349	1.7
207.10315	7.1
209.11855	16.8
211.13390	14.5
217.16127	1.5
223.13225	2.4
235.13425	34.6
245.19150	21.7
249.14883	2.6
249.82704	1.2
289.18115	45.6
307.19168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42916	0.4
59.01379	2.2
63.87375	0.4
69.04701	0.4
96.96008	61.3
125.09711	1.2
135.76059	0.5
137.09737	4.1
158.27052	0.5
163.11334	0.5
191.14348	0.9
200.57587	0.5
209.11844	0.5
279.19534	0.6
289.18076	3.1
307.19452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27710	0.9
53.49263	0.7
59.01381	1.7
65.57023	0.9
68.48128	0.9
85.85345	0.9
89.02410	1.0
97.06543	1.4
97.12656	1.0
125.09719	0.9
133.42244	0.9
179.27315	1.2
179.50444	1.1
185.11836	1.6
211.13481	1.0
225.22246	47.0
235.13516	1.1
269.21216	1.0
271.22815	100.0
289.18124	4.5
307.19156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.31029	0.4
57.34231	0.4
57.91941	0.5
62.55019	0.5
63.58414	0.4
64.69111	0.5
76.39449	0.5
88.78630	0.6
94.43442	0.5
101.60836	0.5
307.22824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01379	5.8
70.84009	1.0
72.13780	1.1
73.76759	1.0
75.00866	26.0
113.67540	1.2
125.42734	1.1
140.22667	1.0
140.78801	1.2
151.11287	1.5
197.11928	1.3
212.31413	1.1
219.17493	1.6
231.21158	1.7
249.18587	9.4
275.20203	100.0
307.19470	3.8
307.22842	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
56.82296	0.6
57.03442	1.2
59.01379	1.2
66.53960	0.5
69.41626	0.6
69.89655	0.7
81.03380	0.7
92.23034	0.7
109.21630	0.6
110.26717	0.6
123.20084	0.7
127.11279	16.5
128.60878	0.6
136.38644	0.6
153.12839	1.2
167.10808	1.1
177.12735	1.1
179.10809	1.7
195.13931	3.4
213.14963	3.3
214.49602	0.6
263.20035	0.8
263.23730	1.6
275.20236	6.2
307.19635	3.9
307.22818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.98701	0.6
57.03431	0.9
59.01372	3.7
71.05021	0.8
77.49732	0.7
78.85068	0.7
116.97372	0.7
120.00085	0.7
125.09711	6.3
141.12825	1.3
156.58685	0.7
159.33147	0.7
163.11252	1.0
165.12814	0.9
185.11806	10.1
197.11816	3.1
200.11475	0.7
223.13441	4.4
231.21196	1.7
275.17169	1.0
275.20203	28.3
307.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2283
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.37238	1.1
54.66248	1.2
59.01367	6.2
64.43891	1.3
71.01414	1.4
83.47339	1.2
91.11095	1.3
126.17516	1.3
154.24606	1.3
165.12885	1.4
179.14337	1.6
188.83810	1.3
223.13387	7.3
231.21245	5.5
247.07947	1.2
275.20203	85.2
307.22836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03448	1.3
59.01369	6.5
60.51804	1.3
65.03961	1.7
68.79971	1.3
71.05024	1.6
87.83114	1.1
96.96007	2.5
97.72515	1.5
109.06619	1.4
116.82008	1.3
121.06561	4.9
123.08149	1.4
133.43985	1.4
185.11784	2.8
211.17032	19.4
235.13390	2.3
239.16559	2.8
249.18707	2.1
263.20193	29.8
263.22784	2.5
289.18188	6.5
289.21747	50.6
307.10461	2.9
307.19327	12.9
307.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2646
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
54.53418	0.4
74.54137	0.5
88.00769	0.5
90.69866	0.5
115.75625	0.5
120.94969	0.5
132.46910	0.6
193.20441	0.6
206.34764	0.5
307.26462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0569
Annotation	Triangularine A
Peak:m/z	Relative Intensity
61.02420	0.6
63.21978	0.6
70.97147	0.6
91.54485	0.7
94.68914	0.8
109.02950	1.6
112.49205	0.8
144.04558	0.9
145.26411	0.9
182.06297	1.0
208.07712	1.0
209.06032	0.8
222.05637	1.0
224.07127	1.3
234.05684	3.8
236.07169	1.6
250.05074	9.6
251.05957	3.3
252.03326	0.6
252.04291	1.3
252.06699	14.4
262.05209	5.3
263.05997	1.7
264.06760	9.4
265.26907	0.9
278.04587	28.5
279.05380	15.9
280.06189	28.3
280.09079	1.5
290.04761	1.4
291.05563	1.4
292.06296	4.5
293.06796	6.6
306.04166	3.9
307.04825	13.4
308.05756	100.0
308.09363	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0566
Annotation	Aristoliukine B
Peak:m/z	Relative Intensity
52.82613	0.5
61.18309	0.6
68.73849	0.4
89.35548	0.7
118.97896	0.5
195.14563	0.5
234.05589	2.3
252.07043	0.6
262.05057	0.6
265.03839	8.4
279.05386	0.9
280.06174	77.3
290.36728	0.6
291.05469	2.9
293.03708	0.6
293.06934	2.7
307.04889	5.5
308.05698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0567
Annotation	Aristoliukine B
Peak:m/z	Relative Intensity
54.91281	0.4
55.16034	0.4
65.58038	0.4
72.53460	0.5
90.93056	0.5
91.00649	0.4
161.88860	0.5
234.05548	0.8
236.07410	0.5
263.05856	0.5
265.03851	6.8
270.64322	0.5
278.04556	0.6
279.05383	2.2
280.06177	77.4
290.04800	0.7
291.05350	2.5
307.04895	4.8
308.05685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.078
Annotation	Isotan B
Peak:m/z	Relative Intensity
55.67498	1.2
58.45816	1.2
59.01384	26.6
60.01704	5.9
62.37338	1.2
67.01267	1.4
71.01369	13.4
73.58965	1.4
84.04553	1.8
90.76157	1.3
108.02164	1.8
114.01965	20.4
115.00380	24.8
117.03469	1.6
123.04520	1.7
132.03023	9.5
134.03734	55.8
135.04597	1.7
136.19818	1.4
149.06082	51.6
162.03236	2.7
175.04005	1.7
175.64203	1.5
176.07109	2.7
177.05630	2.3
177.07961	1.7
187.06447	3.3
192.06688	33.8
193.05081	23.7
220.09877	2.1
246.07755	8.7
264.08884	5.8
308.07822	100.0
308.11035	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07409	1.1
52.80194	1.2
63.51461	1.4
66.34132	1.2
67.11357	1.3
71.01376	9.2
77.64004	1.5
78.77557	1.4
83.71249	1.4
84.04546	1.7
103.30305	1.6
108.02161	2.0
114.01954	14.3
114.02622	1.8
115.00368	22.9
123.04525	2.8
132.03043	5.9
134.03734	46.9
136.05322	1.7
149.06082	44.4
160.01697	1.8
162.03262	1.7
175.03996	3.6
177.05621	2.8
177.08018	2.6
187.06464	2.3
192.06665	36.1
193.05086	23.6
231.05356	1.6
246.07721	7.7
254.47002	1.5
264.08826	8.7
308.07779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67498	1.2
58.45816	1.2
59.01384	26.6
60.01704	5.9
62.37338	1.2
67.01267	1.4
71.01369	13.4
73.58965	1.4
84.04553	1.8
90.76157	1.3
108.02164	1.8
114.01965	20.4
115.00380	24.8
117.03469	1.6
123.04520	1.7
132.03023	9.5
134.03734	55.8
135.04597	1.7
136.19818	1.4
149.06082	51.6
162.03236	2.7
175.04005	1.7
175.64203	1.5
176.07109	2.7
177.05630	2.3
177.07961	1.7
187.06447	3.3
192.06688	33.8
193.05081	23.7
220.09877	2.1
246.07755	8.7
264.08884	5.8
308.07822	100.0
308.11035	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0781
Annotation	Isotan B
Peak:m/z	Relative Intensity
50.48925	1.0
51.41254	1.2
52.98911	1.3
54.55703	1.2
57.81519	1.4
59.01385	23.7
59.63089	1.2
60.01748	1.5
60.93669	1.5
69.41792	1.3
71.01382	15.9
73.02974	1.5
84.97852	1.5
100.02855	1.4
114.01962	17.4
115.00372	22.6
123.04532	3.0
132.02995	6.3
134.03741	50.6
149.06087	43.6
160.73524	1.5
161.02504	1.5
162.03235	3.1
175.04056	6.1
177.08066	1.7
187.06354	2.2
192.06683	34.2
193.05080	22.7
220.09976	3.0
246.07800	6.2
264.08871	6.1
308.07831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0932
Annotation	Clausevatine G
Peak:m/z	Relative Intensity
63.73912	0.8
67.01728	0.7
88.38664	0.8
89.68866	0.8
102.42612	0.9
167.49590	0.8
176.76251	1.0
220.07687	6.2
237.08063	1.1
248.07288	3.4
248.14621	0.9
250.05110	3.7
264.06757	1.3
265.07504	1.4
275.05896	10.4
276.06677	1.1
277.05115	4.2
278.04620	39.6
290.08374	6.8
290.18411	4.1
291.05359	1.7
292.06192	78.7
293.06964	33.8
308.09329	100.0
308.19055	3.0
316.98120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38675	1.1
57.03432	1.3
59.01375	2.8
78.95921	2.4
79.55126	1.6
96.96976	1.8
101.02464	3.0
102.05624	22.2
109.63916	1.5
128.03535	66.1
145.06151	1.9
146.04607	100.0
146.06421	3.9
200.05681	9.3
218.06754	12.3
221.39072	1.4
245.97766	1.5
247.89575	1.8
289.84677	1.4
290.08719	3.2
308.09885	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87494	1.0
58.02980	11.7
62.27864	1.1
62.74199	1.2
63.24617	1.1
73.61647	1.2
83.03726	1.2
84.55424	1.3
93.93373	1.2
98.03701	4.9
110.53757	1.5
123.04517	5.8
164.10732	1.6
179.14420	28.1
181.12367	6.3
195.13942	1.8
197.15488	9.0
210.11539	2.0
246.19547	1.6
247.20689	8.8
250.14615	1.3
290.18427	5.0
290.21292	89.2
291.19705	25.0
293.07086	5.3
308.19565	5.8
308.22385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28980	0.5
56.50072	0.6
58.02974	4.7
83.05038	0.8
95.05038	1.2
98.03719	1.1
123.04491	4.3
124.86966	0.7
125.09727	0.8
151.11295	6.6
153.09250	3.4
154.10077	0.9
169.12341	1.5
179.14458	0.8
212.10587	1.2
236.13278	0.8
237.13640	1.2
238.14554	2.9
247.20633	1.5
270.89587	0.7
290.18408	1.9
290.21320	27.3
291.19705	29.2
299.39026	0.8
308.22357	100.0
321.49365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.5
72.70840	0.9
93.28940	0.9
98.03741	1.5
117.09020	0.9
118.47340	0.8
123.04497	2.2
137.09663	0.9
139.11279	1.1
153.34024	0.8
161.09485	0.8
165.12837	10.3
165.49724	0.8
167.10742	2.0
183.13879	3.9
224.12946	1.7
226.11977	0.9
247.20692	1.2
290.18216	2.0
290.21277	32.5
291.19720	22.8
293.07056	1.1
308.19656	3.7
308.22357	100.0
311.09399	0.9
329.06461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67893	0.6
50.71112	0.6
59.01393	3.4
61.69928	0.7
65.80766	0.6
68.19794	0.7
69.03462	0.8
71.01398	1.0
72.99312	3.0
74.99086	6.5
81.03458	3.0
85.02962	6.3
87.00873	25.3
88.98803	6.6
90.98579	1.4
95.05040	1.2
97.02936	3.9
99.00858	1.1
99.04491	1.3
101.00665	1.3
109.02943	10.5
113.00676	1.6
113.01698	0.8
113.02444	3.8
115.02294	1.0
118.98084	4.2
119.01707	1.3
123.00954	1.0
123.04553	0.8
123.99867	0.9
125.02461	9.6
126.98620	1.4
127.04004	10.0
129.00208	1.6
129.01897	0.9
137.02440	1.2
139.02255	1.2
139.04050	1.5
141.00169	4.3
141.01932	1.3
143.01750	1.0
143.03529	0.9
147.01228	12.2
149.02464	1.2
155.03490	4.5
156.99651	1.0
159.01262	2.9
161.02768	17.6
165.00163	3.6
167.03513	5.6
171.01152	0.8
171.03035	3.2
175.00688	5.5
183.01195	5.8
189.04111	1.6
201.02277	11.4
204.82704	0.7
205.01764	17.9
219.03343	85.5
223.02841	100.0
237.04344	5.1
239.81621	0.7
247.02789	1.7
291.01859	31.5
309.02902	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13057	0.6
51.28929	0.5
59.01384	6.7
60.94199	0.6
71.01381	3.1
72.99301	24.0
72.99694	1.4
78.32037	0.6
78.95903	60.4
89.02435	3.0
92.58534	0.7
101.02406	1.3
106.08490	0.7
106.84746	0.7
110.98526	100.0
113.02469	1.3
119.03519	1.1
123.04511	7.9
129.05551	1.4
135.04530	7.0
146.08167	0.8
147.06657	4.0
177.98871	0.8
179.03508	21.3
197.04567	54.1
197.39391	0.8
203.58992	0.7
244.08965	0.7
309.03860	3.4
309.11902	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54627	0.4
59.01379	6.2
62.27269	0.5
67.16385	0.5
71.01376	2.6
72.98890	0.8
72.99305	23.6
72.99692	1.0
78.95903	56.7
84.57018	0.5
85.02952	0.8
87.00874	1.0
89.02429	4.9
101.02448	3.5
101.06066	0.8
110.98524	100.0
113.02416	0.9
119.03512	0.8
123.04518	7.6
129.05539	2.2
135.04536	8.3
147.06648	7.0
179.03506	22.1
197.04572	53.1
251.14238	0.5
277.01096	0.7
309.03806	3.6
309.11932	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36695	0.4
57.06590	0.4
59.01099	0.8
59.01381	14.3
63.29913	0.4
68.55948	0.5
71.01053	0.6
71.01382	7.9
72.99302	26.0
73.02917	0.7
74.38842	0.5
78.95900	59.7
83.01374	0.4
85.02934	3.8
89.02437	9.6
94.31570	0.5
99.04514	0.8
101.02425	7.0
101.06080	2.2
102.61818	0.4
110.98518	100.0
113.02434	4.5
119.03487	4.2
123.04513	7.2
129.01938	1.0
129.05573	9.0
135.04524	11.3
147.06628	18.2
147.22508	0.5
161.01221	0.5
161.04512	0.6
170.17186	0.5
179.03505	22.7
196.14723	0.5
197.04559	54.6
268.99136	0.5
277.00906	0.6
291.54514	0.5
309.04340	4.3
309.11932	50.4
313.56274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17555	0.3
55.93866	0.3
57.03447	1.6
57.45098	0.4
58.28592	0.4
60.61369	0.4
61.60098	0.3
77.35533	0.4
85.02950	7.0
87.78513	0.4
94.61682	0.4
101.02439	5.2
103.04012	6.8
111.56254	0.4
129.01941	72.5
133.02930	0.5
135.04521	2.0
135.36386	0.4
146.73180	0.4
147.02998	100.0
161.02457	3.2
179.03516	2.6
182.06265	0.4
258.29514	0.4
309.06677	1.1
309.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96247	0.5
65.64986	0.5
71.01379	20.1
115.00368	7.2
117.03454	6.8
134.03741	86.8
149.06065	11.1
178.02715	9.2
193.05070	100.0
243.33202	0.6
250.04807	2.7
309.06174	3.7
309.09668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31830	0.2
53.44332	0.2
57.03453	2.1
57.73074	0.3
59.01384	2.4
67.00222	0.3
69.55260	0.3
78.08777	0.3
84.92294	0.3
85.02943	6.5
101.02444	6.1
103.04015	6.6
105.03075	0.3
119.05054	0.4
129.01936	68.6
135.04520	2.7
147.02998	100.0
149.06104	2.1
161.02448	3.6
163.04004	0.7
179.03491	2.8
181.31830	0.3
191.77789	0.4
192.79146	0.3
237.04085	1.9
262.20587	0.3
309.06326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
71.01379	19.2
71.59566	0.4
72.01705	0.4
74.10852	0.4
96.59503	0.4
115.00365	8.1
117.03468	6.3
134.03741	80.0
149.06068	12.0
178.02733	8.7
193.05070	100.0
249.13251	0.4
309.06223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
71.01386	22.2
75.00858	1.1
80.96508	1.7
88.04040	0.9
101.80341	0.8
115.00382	8.7
117.03475	9.7
129.01927	6.0
132.03079	5.8
133.03337	1.1
134.03748	89.3
135.04553	1.9
147.02986	7.3
149.06071	12.9
161.02458	11.2
177.09184	1.4
178.02719	8.9
179.03517	3.9
193.05092	100.0
271.33170	0.8
309.06503	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33810	0.6
52.97707	0.5
54.72332	0.5
54.87912	0.5
57.03438	2.6
59.01387	1.5
71.01373	1.6
79.51092	0.5
85.02954	7.8
95.75489	0.7
101.02439	6.5
103.04009	6.5
113.02467	1.0
115.00320	0.7
117.88853	0.6
129.01944	68.5
133.02924	6.0
134.03734	10.5
135.04521	0.7
147.03001	100.0
149.06078	0.8
161.02400	4.0
177.01851	0.9
178.02737	0.9
179.03514	3.4
193.05043	9.8
218.16093	0.8
309.09814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47296	0.7
59.01374	1.0
64.95258	0.8
71.01382	20.8
71.01771	1.0
75.10155	0.8
80.96471	1.1
85.02936	1.1
95.52213	0.7
96.95988	1.6
104.60887	0.9
115.00348	9.9
117.03438	7.2
128.01653	0.9
131.87985	0.8
133.01434	4.0
134.03738	86.7
134.98109	0.8
145.02922	1.2
146.08247	3.2
147.02982	1.1
149.06075	14.4
161.02423	1.2
178.02687	10.4
193.05064	100.0
217.64616	0.8
309.06381	1.0
309.09787	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.4
71.01385	1.8
72.98930	2.2
72.99300	23.4
81.03471	2.6
83.05028	27.4
89.02438	1.8
93.03457	2.6
100.93358	2.3
101.02419	2.4
109.02926	5.6
111.04510	32.2
115.04006	6.4
115.91997	1.8
127.04009	100.0
129.05597	8.4
132.03052	2.3
137.02458	3.7
145.01404	1.9
153.01918	8.5
155.03513	86.8
171.03044	2.1
173.04576	2.7
199.02501	52.0
205.11600	1.5
206.09509	1.9
217.03545	88.6
221.87422	1.8
245.06581	12.3
291.07211	16.9
306.17752	1.6
309.05295	2.3
309.08521	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19359	1.1
56.16213	1.3
59.01377	14.3
64.75780	1.4
71.01382	3.6
72.65589	1.4
72.99297	24.6
83.01376	1.6
83.05011	22.5
89.02422	1.7
91.04024	1.7
93.03461	1.6
101.02418	2.6
109.02940	9.6
111.04520	32.7
115.03989	9.4
127.04010	100.0
129.05594	12.1
137.02448	3.4
153.01891	7.3
155.03508	80.7
171.02966	1.6
173.04576	2.6
186.73157	1.6
199.02498	62.0
217.01476	3.1
217.03557	83.5
231.21030	1.8
245.06737	10.6
263.11340	8.0
291.07184	14.4
309.08389	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94803	0.9
56.58791	1.0
59.01376	1.5
63.94462	2.3
64.94917	2.4
64.95251	60.3
71.01378	4.9
71.05014	12.7
74.00698	5.4
80.96540	1.3
82.03040	3.3
90.01407	1.0
94.03025	0.9
99.04514	1.4
107.99452	1.8
111.05640	1.9
113.07175	1.3
114.48888	1.0
116.07193	1.3
128.01765	52.8
129.05553	2.3
134.03737	11.3
137.76537	1.1
140.35162	1.0
145.04445	9.1
146.08238	93.6
149.06079	1.4
154.97559	1.0
155.58008	1.1
162.00568	2.6
175.19655	1.2
193.05072	14.4
217.11977	1.5
243.13515	2.0
249.56938	1.5
275.10739	59.2
297.16455	1.2
309.09531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68711	0.6
53.81727	0.5
62.13257	0.6
65.60975	0.5
65.63585	0.6
88.35976	0.7
89.03973	0.8
103.04015	3.8
117.03457	9.1
133.05054	9.0
134.03738	99.3
142.06975	0.7
147.04539	1.1
149.06082	10.7
160.01611	1.1
175.04042	1.6
178.02742	1.0
193.05067	100.0
295.95651	0.7
309.06378	0.9
309.09998	1.1
309.13437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07677	0.3
65.77481	0.4
72.24628	0.4
96.71238	0.4
96.96003	1.9
103.04019	0.7
117.03461	10.0
117.21175	0.5
133.05092	2.0
134.03743	100.0
135.61632	0.4
149.06087	10.4
193.05072	97.5
194.11867	2.1
205.78899	0.4
228.74345	0.4
263.96359	0.4
309.09988	2.3
309.13269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.52874	0.8
59.01381	36.5
71.01377	16.8
71.05014	1.3
71.19891	1.0
72.31530	0.8
72.99303	13.8
73.02943	4.4
78.95900	28.9
79.33978	0.9
83.01379	1.3
85.02935	6.4
89.02437	23.0
90.61996	0.9
90.70182	1.1
94.36880	1.1
99.04512	2.3
101.02431	17.8
101.06055	5.7
110.97781	1.8
110.98521	41.7
113.02454	8.6
119.03493	9.3
123.04498	2.1
129.01950	1.3
129.05602	10.4
135.04536	5.6
147.06636	32.8
161.04468	1.7
165.06711	1.6
179.03493	7.9
197.04556	23.7
309.08774	3.4
309.11935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.77974	0.8
65.44485	0.8
65.54686	0.9
75.41742	1.0
75.51015	0.9
116.78709	1.2
159.40788	0.9
161.13263	8.5
183.10300	1.0
205.12344	44.4
249.11378	4.6
309.13577	3.3
309.17313	1.1
309.20724	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15581	0.6
50.75045	0.7
57.21509	0.8
59.01384	100.0
61.37576	1.0
89.46269	0.9
142.55733	0.7
150.06845	1.6
161.13344	9.3
167.88144	1.1
170.11887	2.0
205.10536	1.7
205.12366	33.9
249.11327	1.9
291.20639	1.2
294.07312	1.5
309.21524	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35602	0.4
51.86929	0.4
59.01384	100.0
71.01376	0.6
83.12223	0.5
83.62793	0.5
85.02953	0.8
92.02866	0.4
95.84475	0.5
99.13136	0.4
101.02458	2.1
109.48150	0.5
113.02451	2.1
147.03012	0.6
201.44426	0.5
204.79683	0.5
207.97314	0.5
249.13414	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16683	0.3
53.71486	0.3
64.06377	0.3
71.46089	0.4
79.95743	2.5
85.45080	0.3
88.50476	0.4
95.95220	0.4
96.96001	48.8
103.86372	0.4
107.59339	0.4
120.54221	0.4
122.97589	1.8
123.92223	0.4
137.09854	0.4
154.38306	0.4
158.62752	0.4
170.02403	0.4
185.11842	0.5
209.12022	0.4
230.24727	0.4
247.20869	0.6
265.21878	0.4
285.25357	0.5
291.19669	3.2
309.17465	100.0
309.20654	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16036	0.4
55.62493	0.3
63.40678	0.4
63.43386	0.4
79.95741	2.0
89.18375	0.4
96.96002	42.7
99.35550	0.4
112.10825	0.4
122.97598	1.6
125.09766	0.5
139.11308	0.7
165.12865	0.9
165.19080	0.4
185.11903	0.4
209.11923	2.8
221.84148	0.5
240.57028	0.4
247.20630	0.6
265.21808	0.6
291.19690	7.4
309.17477	100.0
309.20718	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08419	0.3
57.12151	0.4
79.95757	2.9
80.02686	0.7
83.05022	3.0
84.02171	0.4
95.95216	0.5
96.96006	46.3
104.35722	0.4
107.29609	0.3
108.94051	0.3
116.93938	0.3
122.97530	2.8
125.09753	0.7
137.09714	6.2
139.11255	1.4
142.55115	0.5
153.09276	0.6
153.12856	0.4
155.10767	3.4
165.12880	0.4
171.10297	7.2
193.12370	1.7
209.11920	0.5
244.50578	0.4
247.20793	0.5
263.19980	0.4
291.16660	0.7
291.19647	7.1
309.17496	100.0
309.20804	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
71.01389	0.5
75.62908	0.4
79.95757	2.2
83.05016	1.1
95.95222	0.6
96.96005	45.3
97.06548	0.5
100.91170	0.4
122.97572	2.2
125.09750	0.7
137.09708	0.8
139.11302	1.1
146.09419	0.5
147.72154	0.5
151.11278	1.0
153.12747	0.6
160.14293	0.5
171.10295	0.7
181.12349	0.7
181.95064	0.5
185.11836	1.1
197.11700	0.6
209.11804	4.9
211.13443	0.5
225.14870	0.5
232.92039	0.5
247.20720	0.7
251.16521	0.8
291.19675	8.7
309.17493	100.0
309.20813	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66267	0.3
79.95746	2.2
95.95232	0.5
96.96004	46.3
97.03793	0.4
122.97594	1.8
137.09695	0.5
137.45766	0.4
139.11253	0.4
171.10228	1.4
291.19647	2.5
309.17456	100.0
309.20547	4.8
317.12701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02472	1.2
57.03437	1.7
59.01369	1.6
62.50624	1.1
71.05009	2.6
77.24571	1.1
77.64828	1.1
83.05036	1.6
86.53103	1.2
86.60917	1.1
87.64517	1.3
97.02925	2.3
99.08189	1.4
113.09740	1.2
120.99929	1.2
121.82508	1.3
125.09713	1.5
150.45235	1.5
155.10780	1.5
171.10271	2.8
183.10347	2.0
183.13818	2.3
185.11768	3.1
195.10117	1.7
195.13953	12.3
199.13362	5.4
207.13910	2.0
207.17450	1.6
209.11783	5.1
221.15543	1.8
223.13426	2.1
223.17012	10.7
233.15500	5.6
247.20651	2.3
251.16533	33.4
254.99467	1.2
264.25256	1.4
273.18481	1.8
276.93942	1.3
291.19592	24.9
309.20697	100.0
313.15225	1.2
325.58835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22046	2.3
57.03437	3.1
57.89731	2.0
60.73730	2.3
69.03458	4.1
71.05034	2.4
83.05011	3.5
84.99011	2.6
104.11716	2.5
119.08628	13.4
137.09702	21.3
149.40230	2.6
155.10739	3.4
167.10753	3.4
171.10257	80.6
183.10283	6.5
185.11844	25.6
197.11844	12.7
201.11343	5.5
209.15305	5.3
211.13475	4.7
223.16943	3.0
225.14934	17.5
237.14857	4.5
251.16537	15.8
273.18607	11.5
281.57837	2.7
291.19684	57.1
299.40887	2.9
309.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32960	1.0
59.01375	2.4
71.05027	2.0
87.04519	1.4
87.88493	1.1
95.31891	1.1
97.06560	1.9
108.06921	1.3
111.41565	1.1
174.03110	1.3
195.13893	13.5
207.13898	5.2
207.17538	3.0
211.13377	2.9
221.15448	2.3
223.17023	30.8
233.15453	10.3
235.17162	1.9
251.16545	59.2
273.18640	1.7
291.19601	16.8
309.20746	100.0
326.57544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03443	1.5
57.18547	1.3
59.01379	1.7
60.99395	1.3
67.46022	1.2
68.51955	1.1
68.69209	1.3
75.30869	1.4
80.02722	1.2
96.96011	16.2
107.16006	1.2
111.08173	1.7
125.09736	3.1
127.11296	1.5
137.09732	2.4
139.07613	1.6
139.11285	3.3
151.11285	1.9
155.10793	10.2
165.68903	1.5
171.10307	14.5
181.12335	1.8
185.11838	11.9
195.10136	1.5
209.11835	6.2
225.14946	1.5
247.20694	7.1
251.16507	1.8
263.20142	7.8
265.21707	5.8
273.18680	2.1
281.21136	2.0
291.19678	23.6
309.17407	30.7
309.20752	100.0
333.99252	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31390	1.3
58.86126	1.5
70.92494	1.6
83.05004	10.1
84.02164	3.1
89.14783	1.7
99.08157	2.3
125.09775	2.1
129.45024	1.8
137.09711	14.0
139.11308	2.9
144.79463	2.1
155.10808	14.1
165.12701	2.7
171.10243	20.9
193.12364	4.0
209.11882	23.7
211.13342	2.0
212.26138	1.8
213.82689	1.9
291.19714	30.7
309.20740	100.0
323.52271	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91066	1.2
62.60273	1.1
69.03454	2.6
71.05002	1.6
97.37611	1.3
107.08657	16.3
139.11244	1.2
155.10786	7.4
171.10287	13.8
180.17426	1.4
183.10268	42.2
185.83521	1.3
203.79002	1.3
221.15500	13.0
239.16470	13.6
251.16609	2.8
252.55313	1.3
273.18655	2.7
291.19672	20.1
309.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95724	0.9
51.82576	0.7
60.02363	0.9
68.13599	0.9
71.05014	13.2
84.32504	0.8
97.06575	4.3
102.30908	1.0
112.85824	1.0
121.10213	6.4
125.09712	4.1
137.09695	13.0
142.98155	0.9
156.42802	1.0
171.10272	35.5
181.12265	1.1
184.47057	0.9
184.99687	0.9
185.11865	8.9
195.14029	1.0
216.12785	1.1
235.16980	2.2
237.15062	1.6
239.77582	0.9
251.16522	14.3
291.19687	32.1
309.20746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.96016	0.9
54.09620	1.0
55.02908	0.8
58.63272	0.8
59.01369	2.0
69.15372	0.9
71.05015	16.2
87.23692	1.0
97.06578	4.5
114.09525	1.1
121.10229	7.3
125.09715	5.4
137.09717	17.1
171.08888	1.6
171.10289	36.9
181.12376	1.3
185.11864	7.3
200.01767	1.1
223.13348	1.2
235.17059	2.3
237.15105	1.3
251.16568	15.1
291.19705	39.3
309.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02362	1.0
57.03212	1.2
57.03456	14.7
59.01377	2.1
69.03442	2.1
83.05010	6.2
94.56184	1.3
97.06567	3.0
111.08146	11.3
113.09716	38.7
119.08646	3.0
127.11289	1.7
135.11807	2.5
137.09727	10.3
147.49762	1.5
149.09729	3.2
151.11278	2.4
153.12807	1.4
167.05305	1.5
169.12372	1.5
171.10263	44.0
185.11824	1.8
193.12367	3.3
195.10262	51.8
195.13913	2.3
197.11826	17.5
197.59497	1.7
199.13452	2.7
209.15436	7.6
211.13498	2.0
233.15497	2.0
251.16533	3.1
273.18796	1.8
291.19720	47.2
309.17310	3.5
309.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50815	1.1
57.03445	1.5
57.32901	1.2
60.11803	1.1
62.97742	1.1
69.81905	1.2
71.05021	12.8
77.65636	1.2
97.06573	5.8
107.05021	1.7
107.08730	1.7
117.99686	1.2
121.10233	12.1
123.08144	1.3
125.09712	8.7
137.09717	12.6
141.12840	2.2
171.10274	22.2
183.10257	5.3
185.11809	18.8
206.70851	1.4
209.25815	1.2
221.15739	2.3
237.15036	2.3
251.16603	23.0
291.19717	57.7
309.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18145	1.2
57.03449	10.8
59.01360	1.9
59.98972	1.3
71.05035	1.9
83.05006	6.2
84.54937	1.2
86.34456	1.5
99.08156	66.8
113.09715	1.8
121.10226	7.1
125.09698	7.5
137.09682	7.2
137.23624	1.5
141.12851	1.9
163.11336	2.4
165.12782	2.0
168.83325	1.6
171.10269	20.0
183.10316	2.1
185.11838	58.8
195.10294	2.0
195.13956	2.5
207.13887	2.5
209.11841	94.4
239.16423	3.0
243.27402	1.5
291.19702	35.1
309.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81044	2.0
59.01366	3.8
61.82686	1.9
71.05009	8.0
71.64236	1.9
83.04998	3.5
97.06570	3.2
111.08155	16.1
135.00311	1.9
135.11761	2.8
139.10146	2.0
142.91641	1.8
150.29059	2.0
169.12302	2.6
183.13882	2.7
193.12251	2.2
195.13931	4.6
197.11823	37.3
197.15414	2.6
207.13875	4.3
209.12007	2.2
209.15465	50.7
211.13443	8.4
217.47784	2.3
223.10211	2.0
223.17091	10.7
225.14948	42.6
233.15494	8.8
251.16553	23.0
273.18625	3.3
291.19672	38.8
300.68811	2.2
309.20709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16023	1.6
55.10418	1.2
59.83180	1.5
66.50964	1.6
80.02670	1.9
81.03468	2.5
81.09445	1.5
83.01397	11.7
83.05026	7.1
123.04540	3.4
123.08117	2.8
125.06101	2.9
125.09716	13.3
135.08109	2.2
137.09755	2.6
139.11284	18.3
153.95680	1.8
163.11299	6.5
165.09061	1.8
165.12816	17.9
167.10809	8.0
181.12321	3.8
191.10658	2.3
193.12459	1.8
193.15965	3.6
209.11844	66.4
233.68695	1.7
247.20621	9.6
265.21741	6.7
281.21164	2.6
291.19684	100.0
309.20782	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
71.05043	2.7
76.92751	2.4
80.01878	2.5
83.01405	5.8
83.05023	3.2
84.53621	2.4
96.95967	4.1
97.06571	4.5
120.88554	2.6
125.09695	11.4
137.09706	10.2
139.11270	16.3
139.48322	2.8
145.64821	3.0
155.10721	4.3
163.11290	9.5
165.12816	5.8
167.10796	4.7
171.10318	19.0
181.12354	3.4
191.10771	3.4
209.11861	48.9
219.17381	3.0
225.89238	2.8
244.27179	2.7
247.20683	13.5
265.21686	3.2
273.18472	4.8
291.19678	100.0
309.17401	7.0
309.20682	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
50.66320	0.7
57.03449	8.2
59.01379	0.9
63.37649	0.9
69.03452	1.5
74.79543	0.9
77.11043	0.8
88.22371	0.9
107.08671	1.9
112.15768	0.9
125.09721	1.7
132.14821	1.0
155.10753	1.7
159.89191	1.0
171.10323	2.3
179.14438	1.2
181.12340	5.2
183.01344	0.9
183.10294	16.0
195.13908	8.8
209.11865	2.0
211.13486	1.5
221.15549	8.7
233.07744	1.2
239.16512	27.1
251.16684	1.2
281.16608	1.0
290.86621	1.0
291.19684	13.9
309.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
54.26717	1.4
57.90227	1.3
58.00565	1.4
70.20653	1.8
81.52346	1.9
92.12209	2.1
92.23092	3.3
92.59747	2.1
111.08161	23.7
133.15138	1.9
169.12401	9.7
171.10295	3.3
183.13957	2.8
197.11848	100.0
199.13374	2.7
211.13428	8.8
225.14922	7.7
291.19666	23.8
303.66891	1.9
309.20767	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72694	0.7
72.61646	0.6
76.57288	0.7
113.09695	0.7
118.21465	0.8
125.09711	0.7
127.11301	0.9
133.83731	0.8
159.19911	0.8
170.30173	0.7
171.08850	1.5
171.10274	29.6
183.10214	7.5
273.22067	1.0
291.20078	2.2
291.23334	41.9
309.20938	5.1
309.24387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
83.05005	1.1
85.28012	0.8
137.09680	1.0
139.11247	1.0
199.13393	12.0
211.13382	1.3
223.17038	10.9
284.30402	0.8
291.19687	3.7
291.23254	26.7
309.20770	7.7
309.24356	100.0
333.40845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2439
Annotation	AS 183
Peak:m/z	Relative Intensity
51.51609	0.8
56.80165	0.9
57.03436	1.2
59.01363	2.3
64.47914	0.8
72.54742	0.9
112.92397	0.9
125.09651	1.0
127.11324	2.2
167.27850	1.1
171.10237	2.0
179.14308	1.1
195.13943	16.7
201.53938	1.0
291.19669	6.1
291.23279	23.7
309.17282	3.0
309.20712	17.8
309.24319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.75767	0.9
59.01376	1.5
69.99335	1.0
76.32622	0.9
90.10974	0.9
92.22469	1.3
96.96078	0.9
111.40568	1.0
123.08173	2.2
125.09693	4.5
128.94940	1.1
139.11292	2.4
143.65053	1.1
151.11290	15.6
153.12851	5.0
167.14468	1.4
175.21196	1.0
179.14426	7.4
185.11821	14.7
197.11777	1.4
277.21744	28.5
279.23282	8.0
291.19522	1.2
309.20813	9.6
309.24344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
91.00768	1.4
119.14622	1.2
147.08206	1.4
151.11311	14.5
153.12888	3.1
167.14529	1.5
179.14349	2.4
183.13918	1.5
195.99207	1.4
222.89633	1.3
224.56429	1.4
265.25269	1.7
277.21790	27.9
279.23447	6.0
291.19748	1.5
309.17371	2.4
309.20996	4.8
309.24384	100.0
324.42496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
59.01374	2.1
79.78935	0.9
83.05024	1.2
99.46455	0.8
103.94588	1.1
109.40348	0.8
132.83713	0.8
135.48459	0.8
141.23332	0.9
145.94998	0.8
170.63884	0.9
184.01727	0.9
195.21895	0.9
259.20596	1.7
260.35123	0.9
277.21747	100.0
308.88742	0.9
309.24396	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
71.45631	0.7
80.50432	0.7
150.07010	0.8
175.27798	0.9
179.14415	10.1
277.21722	46.3
309.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
63.59146	1.0
65.56287	0.9
125.24762	1.5
151.11275	2.5
179.14449	4.2
185.14685	1.1
219.11238	1.0
233.22801	1.1
277.21732	90.4
279.23352	1.6
309.24402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96258	0.7
59.01371	1.3
68.68950	0.7
82.01355	0.6
92.36407	0.7
99.06873	0.7
123.08119	1.1
125.09751	6.1
128.68579	0.8
136.72076	0.7
137.09758	0.8
139.11244	1.3
141.12878	0.8
153.12856	1.4
165.12776	1.2
171.10223	1.2
179.14201	1.0
185.11850	15.7
221.15495	0.9
244.46626	0.8
265.25357	1.3
267.64069	0.8
282.16068	0.8
291.19485	4.5
309.20743	17.6
309.24319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
59.58388	0.3
87.35462	0.3
88.84109	0.4
167.98213	0.4
186.55269	0.4
192.55566	0.4
195.62065	0.4
215.06339	0.4
264.45276	0.4
279.76010	0.4
309.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20451	0.7
69.41019	0.7
73.85993	0.7
78.45866	0.7
78.49441	0.7
79.55821	0.7
80.37634	0.7
181.05371	1.2
194.06163	11.4
195.06953	1.3
196.06050	1.1
196.07648	10.7
208.07753	1.2
210.05614	1.4
212.07219	5.4
222.05592	8.5
223.06473	7.3
224.04785	7.3
224.07178	24.6
226.08740	1.8
231.26387	0.8
236.07103	7.1
237.07924	8.4
238.08647	3.7
252.04202	3.3
264.06671	1.7
266.08234	100.0
268.06143	1.3
310.07217	6.0
310.10867	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0936
Annotation	Zierin
Peak:m/z	Relative Intensity
52.47141	0.6
53.56871	0.7
63.17968	0.8
63.83002	0.6
67.65527	0.7
68.51707	0.7
78.91068	0.7
121.02079	1.0
121.02951	30.3
127.49856	0.8
148.04057	100.0
178.30948	0.9
224.04807	12.5
237.92395	0.9
252.04260	6.5
282.11502	2.5
310.11154	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22807	0.4
58.43007	0.5
62.30111	0.5
68.45033	0.5
78.73161	0.6
78.90084	0.6
79.72433	0.5
103.53328	0.5
121.02956	5.7
132.53244	0.6
138.50301	0.5
148.04056	16.3
180.05746	0.9
209.06090	6.3
209.12657	0.6
224.04778	4.1
237.05580	100.0
245.06912	0.5
251.07048	0.7
252.04311	2.8
252.07904	2.2
280.09836	1.0
282.11484	0.7
295.12164	7.7
310.10867	7.1
310.14474	62.1
315.80835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03405	0.3
54.38815	0.3
66.00056	0.3
181.06633	0.7
194.06068	0.4
196.07416	0.4
209.06105	5.5
210.05304	0.4
222.05637	0.8
223.06522	0.4
224.04820	1.8
224.07199	1.9
237.05583	100.0
251.07268	0.4
252.04300	0.5
252.08083	2.7
264.71637	0.4
266.08240	10.1
280.09845	0.6
295.12192	7.3
310.14514	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82078	0.7
111.59125	0.9
140.51694	0.9
141.18454	1.0
197.15442	1.5
199.13426	5.7
267.19598	7.2
268.22940	1.2
281.21161	4.1
292.19247	13.3
292.22824	7.9
310.20261	43.1
310.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
84.21445	2.9
89.32516	2.8
105.15027	3.0
135.02824	2.9
161.21594	3.7
171.10310	3.1
267.36395	3.1
270.36401	3.2
310.20612	6.6
310.23941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35309	1.0
51.49398	1.0
52.82662	1.2
53.50747	1.1
59.01377	5.3
65.86044	1.1
68.99814	2.3
72.99302	73.5
83.44263	1.2
87.00868	39.2
89.02403	1.3
96.01379	1.3
96.95992	1.5
104.36144	1.3
107.45183	1.4
110.38560	1.3
112.98769	1.6
121.02937	2.4
123.00875	1.8
130.99846	1.8
134.03789	2.0
138.03223	9.8
151.00354	1.6
152.99597	7.5
153.05598	14.0
161.02490	1.5
166.02609	1.9
166.99855	5.0
178.00925	41.6
179.98901	6.9
182.02199	29.6
187.99373	37.1
188.01016	1.5
189.00171	32.7
190.00949	13.8
191.01779	1.8
193.01555	2.2
193.03299	8.7
193.04988	2.4
194.02223	2.5
197.02864	2.7
197.04550	45.3
205.03270	22.2
206.00427	7.3
223.06123	8.0
233.99918	19.3
237.04051	9.1
249.02271	45.8
267.03329	100.0
311.02026	10.4
311.07776	5.6
311.11551	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Ochrolide
Peak:m/z	Relative Intensity
54.38668	0.6
55.26901	0.5
59.10481	0.6
59.10776	0.5
77.38567	0.7
112.99580	0.8
120.92152	0.8
124.81139	0.6
145.50407	0.7
169.23795	0.6
225.01901	3.1
236.71182	0.6
253.01413	5.3
281.00949	85.4
295.02441	3.0
296.03302	100.0
311.05652	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0563
Annotation	Ochrolide
Peak:m/z	Relative Intensity
56.61127	1.2
74.40140	1.1
77.91303	1.2
81.26528	1.2
94.70329	1.2
99.33208	1.3
116.67831	1.2
155.29788	1.4
209.02365	1.6
211.03963	2.1
213.01875	2.3
213.11237	1.4
223.04004	2.0
224.04857	1.9
225.02003	1.8
237.01918	22.1
252.04294	6.3
253.01430	8.9
255.03026	2.4
268.03766	6.4
269.00946	3.4
281.00955	48.3
293.17709	2.0
293.21082	2.5
296.03256	100.0
311.05643	91.5
311.22284	12.3
319.98611	1.7
327.99881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Ochrolide
Peak:m/z	Relative Intensity
55.79677	0.6
56.43495	0.5
67.04931	0.6
71.07856	0.6
77.98560	0.6
91.34496	0.6
93.98881	0.6
102.35564	0.7
113.14965	0.6
143.16504	0.7
167.06158	1.0
223.08765	13.2
225.01842	0.8
245.21576	0.8
253.01436	6.8
267.03363	0.8
281.00928	76.4
295.02621	1.4
296.03281	100.0
311.05637	80.9
330.98035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38590	0.4
54.33952	0.4
61.08226	0.7
66.62766	0.5
73.53136	0.6
79.81107	0.6
85.24885	0.6
87.00861	0.6
97.54906	0.5
109.02935	0.7
131.02371	0.6
135.04533	0.8
149.02423	6.9
152.01175	4.6
152.08736	0.5
163.04030	2.3
164.04803	21.7
167.03510	0.8
169.04991	1.0
179.07152	9.6
179.09575	0.6
193.01384	7.5
193.05109	1.3
208.03777	62.4
223.06126	100.0
311.07803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
59.27961	0.4
75.00862	0.8
87.00829	0.4
89.03981	0.6
117.03453	8.8
134.03738	100.0
135.02983	8.7
149.06067	10.2
193.05063	96.2
311.07864	5.9
311.11063	0.8
311.14838	0.6
311.18207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31540	0.5
51.62912	0.5
56.17492	0.6
72.99286	0.9
109.02907	0.7
134.03714	1.3
139.07661	0.9
149.02431	7.9
152.01155	3.3
161.02853	1.0
163.04007	2.4
164.04797	26.3
165.02232	0.6
169.75731	0.7
179.07129	10.7
193.01437	6.3
193.04991	2.7
202.45718	0.8
208.03793	69.1
223.03064	5.0
223.06131	100.0
311.04004	4.7
311.07611	2.0
311.10916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87940	0.9
54.23942	0.8
55.01871	1.8
56.25530	0.9
58.98215	0.9
59.01376	2.6
60.30607	0.9
60.80984	1.0
61.45720	1.0
69.79777	1.0
70.42850	0.9
71.01373	2.3
72.99280	1.1
73.00232	0.9
73.02948	1.3
75.00864	16.6
85.02930	2.1
87.00883	1.3
89.02457	4.6
96.66427	1.0
99.00880	1.8
119.05024	67.6
129.01959	10.3
131.07080	1.0
135.04520	4.6
147.02966	9.0
149.03462	2.0
149.04541	22.3
161.45247	1.0
163.04012	100.0
165.04042	69.0
173.04718	1.0
179.03548	1.2
208.59047	1.1
252.21118	1.1
279.60632	1.1
311.07825	21.9
311.11252	3.0
311.14993	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13504	0.4
67.90942	0.4
75.00885	0.7
78.71294	0.4
79.26013	0.4
89.02444	0.5
117.03458	8.5
124.81645	0.5
134.03741	96.0
135.02995	9.0
137.48286	0.5
149.06075	8.8
159.95876	0.4
193.05070	100.0
205.04898	0.5
208.03796	0.6
223.06100	2.0
311.07776	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08904	0.8
59.01386	1.6
62.88372	0.9
69.03444	1.0
85.02946	1.1
101.22849	0.9
109.02959	15.1
111.00896	6.8
119.05036	1.5
121.02906	1.3
126.54168	1.0
135.04529	19.6
143.05017	2.4
147.04538	1.8
149.02429	1.4
149.06087	11.8
152.01625	0.9
159.04536	1.2
161.06073	7.0
162.03145	3.8
163.04045	4.1
164.04805	2.3
165.05554	1.5
171.04549	6.9
175.04030	1.1
177.05579	100.0
179.03543	1.8
185.14491	1.2
189.05585	40.2
201.05663	3.8
207.06654	5.7
219.06624	2.0
221.04570	47.1
249.07689	1.9
251.05548	1.2
267.08798	5.5
311.07770	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
59.01370	3.1
67.06525	0.5
70.10236	0.5
71.01387	1.3
72.99307	0.5
73.02956	0.6
75.00871	4.4
85.02955	1.1
89.00658	0.5
89.02462	1.0
89.27228	0.6
101.02457	1.1
103.68013	0.5
104.07980	0.5
106.57433	0.5
110.36141	0.5
113.02454	0.9
119.05019	67.2
121.02911	0.5
129.01936	2.4
134.03706	0.8
135.04591	0.6
147.02985	4.0
149.04564	3.0
156.31593	0.6
163.04016	100.0
165.04095	3.9
169.84161	0.6
172.88782	0.6
189.86794	0.5
193.05161	0.7
204.52692	0.5
221.04587	1.3
267.12186	0.7
272.65125	0.6
311.07809	12.3
311.11374	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80474	0.9
59.01389	1.1
63.21938	1.0
64.14816	1.1
64.70215	1.0
74.02470	2.2
83.61092	1.1
84.04540	4.9
85.24756	1.1
87.16540	1.2
92.22998	1.3
95.05037	2.5
101.07204	1.5
109.02941	7.2
109.04065	13.4
114.46453	1.2
125.03557	6.6
127.05125	44.2
128.03528	36.0
138.05614	2.7
145.06183	100.0
267.09955	10.5
311.08899	22.2
330.82660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65852	1.0
60.67138	0.9
67.01899	1.2
69.39962	1.1
75.36173	1.0
75.45514	1.1
84.04555	2.7
93.24142	1.3
95.05045	1.6
97.04057	1.3
98.02489	1.4
101.07207	2.7
109.02936	6.8
109.04071	16.2
112.74264	1.2
121.02936	2.8
125.03564	5.5
127.05126	42.6
128.03539	34.5
138.05568	4.4
145.06195	100.0
148.04063	5.0
149.04385	6.7
162.75960	1.1
224.04700	1.5
225.05174	7.4
245.26129	1.3
245.69304	1.4
253.04749	2.8
267.09778	8.2
311.08246	15.1
311.11511	10.1
311.22470	1.4
312.79620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0889
Annotation	Pteroic acid
Peak:m/z	Relative Intensity
60.53967	1.2
74.02467	1.8
77.77422	1.1
80.05276	1.0
80.27664	0.9
84.04511	1.4
85.34018	1.1
95.05005	1.8
101.07185	1.9
109.02927	4.6
109.04067	9.8
116.92840	1.2
121.02949	2.6
125.03551	5.4
127.05121	37.4
128.03525	33.9
138.05617	2.2
145.06189	100.0
147.47716	1.2
148.04025	5.1
149.04370	4.5
165.01917	1.3
225.05785	1.3
249.08759	1.4
251.03119	1.5
253.04955	1.7
267.09869	11.0
311.08881	20.1
311.12039	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	Baicalein 5,6,7-trimethyl ether
Peak:m/z	Relative Intensity
50.65908	0.6
51.18537	0.6
56.30377	0.6
63.67913	0.8
78.13266	0.6
115.21790	0.9
138.33582	0.8
150.32613	0.8
169.35570	0.8
171.10310	1.0
183.01167	1.7
220.20842	0.8
225.05602	10.0
225.29294	0.7
239.07161	84.7
251.07185	3.0
253.05167	5.4
267.06668	54.6
268.07410	21.0
296.06927	64.9
300.06839	0.8
305.47452	0.9
311.09305	100.0
311.16867	11.2
311.22226	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	Pancixanthone B
Peak:m/z	Relative Intensity
54.78662	0.7
59.01368	1.1
63.40865	0.7
78.38617	0.6
83.76136	0.8
90.24377	0.7
92.23239	0.7
97.53557	0.7
118.20691	0.7
121.15293	0.8
126.20210	0.8
171.10266	0.8
187.34300	0.7
235.72275	0.9
237.05515	10.4
253.05022	5.6
268.07324	0.8
277.29483	0.9
281.04572	100.0
293.21304	1.1
296.06906	95.9
311.09265	85.9
311.18921	1.5
311.22281	6.3
311.29642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.093
Annotation	Caloxanthone F
Peak:m/z	Relative Intensity
59.01384	1.8
60.69738	0.8
97.03614	1.0
116.96075	1.0
136.01642	1.4
209.06084	1.5
225.05650	5.6
237.05528	2.1
237.07782	1.0
240.07928	6.6
253.05069	37.9
264.04297	1.5
265.05103	32.6
266.05951	9.2
267.06674	1.7
268.07468	11.5
279.06750	2.0
280.07410	21.4
281.04590	100.0
293.14127	1.1
295.06070	4.7
296.06912	36.6
311.09332	67.8
311.15070	3.0
311.22360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0929
Annotation	Globuxanthone
Peak:m/z	Relative Intensity
53.01865	0.6
64.89104	0.6
68.31194	0.6
74.12370	0.6
76.22847	0.6
112.64928	0.7
125.03928	0.8
125.60715	0.7
181.06499	1.1
197.06071	1.5
209.06064	3.3
211.07666	0.9
224.04681	0.9
225.05592	4.0
239.07132	27.2
253.05080	100.0
267.06635	6.3
268.04486	1.1
268.07434	43.4
281.04562	13.6
296.06900	23.8
311.09265	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	R1128B
Peak:m/z	Relative Intensity
51.68059	0.4
51.70671	0.5
54.25214	0.5
55.07365	0.5
59.01381	37.5
62.46685	0.5
64.79645	0.5
74.92868	0.5
76.52920	0.5
78.45333	0.5
87.00884	2.3
91.01628	0.5
92.30824	0.6
93.03452	27.8
96.99305	8.3
115.05535	3.3
117.03449	0.8
119.05016	13.2
119.08624	0.6
127.37538	0.5
131.05003	5.1
133.02956	2.7
143.05020	11.8
145.02962	1.0
147.04500	6.6
158.03712	2.4
163.03995	11.3
169.66425	0.6
195.08162	6.0
205.10281	0.6
207.08089	0.8
219.08180	3.0
221.09755	8.3
223.11340	2.8
249.09219	31.3
289.05310	0.6
293.08273	7.2
311.09283	100.0
311.15164	3.7
311.18768	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
54.18543	0.5
56.00359	0.5
59.01382	47.1
69.03459	0.7
71.01380	17.8
73.02950	1.1
74.48798	0.5
75.00867	3.3
83.01389	1.3
85.02943	4.1
87.00874	0.7
89.02442	44.5
95.01350	0.9
101.02448	22.5
101.26132	0.6
102.43896	0.5
113.02422	10.8
119.03505	11.8
119.75646	0.6
125.84212	0.5
131.03468	2.2
149.04524	0.8
151.04054	1.1
157.06726	0.5
158.90581	0.5
191.05530	1.0
212.86069	0.7
223.02852	1.0
224.03209	1.0
234.31924	0.8
311.09882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.14690	0.8
59.01383	49.1
59.01684	1.6
71.01379	15.1
73.02917	1.5
75.00860	1.0
85.02951	1.4
89.02433	44.3
98.43702	1.0
101.02451	18.5
103.03934	1.0
113.02441	12.0
119.03503	12.3
133.92426	0.8
172.14763	0.9
179.05612	1.1
191.05614	1.9
223.02841	1.3
224.03165	3.4
280.62122	0.9
289.88367	1.0
311.06796	3.5
311.09860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08581	0.4
60.44201	0.4
66.03493	3.7
94.02371	0.8
94.02979	28.2
124.04034	100.0
150.76282	0.5
218.14101	0.5
219.09282	2.7
237.10413	0.9
267.11383	6.1
267.34271	0.5
311.10416	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93342	0.6
52.84883	0.7
53.06459	0.6
59.01381	100.0
63.89113	0.6
64.80583	0.7
71.01377	9.4
73.02941	3.6
83.01389	1.0
85.02937	3.8
89.02429	5.9
89.37768	0.8
99.00843	1.5
101.02438	13.5
107.60224	0.7
113.02450	5.3
119.03493	1.6
119.06362	0.7
161.04601	6.3
190.10463	0.7
205.26672	0.7
251.11371	31.8
253.14748	0.7
311.08499	3.2
311.09610	3.6
311.13159	1.1
322.74258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93645	0.4
59.01381	100.0
60.09826	0.4
67.70143	0.4
69.19150	0.4
78.34731	0.4
123.91465	0.4
180.81250	0.4
220.37930	0.4
236.17586	0.4
281.04660	0.5
311.15253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09245	0.5
58.18946	0.5
59.01381	100.0
59.09191	0.5
69.68406	0.5
76.14120	0.5
90.30979	0.5
92.23078	0.6
96.95965	0.6
117.64149	0.5
137.36295	0.5
188.70096	0.6
222.89142	0.6
234.76460	0.6
238.04997	0.6
304.13055	0.7
311.11624	0.8
311.15045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15474	1.0
57.03426	1.8
59.01378	5.0
64.69427	1.2
67.45121	1.0
71.05014	5.9
71.29848	1.1
83.05016	10.0
103.98067	1.2
111.00865	11.0
111.04514	69.6
112.01648	6.0
113.87082	1.2
137.09726	19.2
142.20972	1.1
164.04776	6.9
189.12849	1.3
191.05910	1.3
199.13416	100.0
205.15982	62.7
207.13892	4.9
223.17059	11.1
225.05563	2.1
233.11856	5.9
238.80676	1.3
239.04874	1.4
239.07138	38.4
249.14948	6.4
249.18636	2.3
253.05049	1.5
267.06631	25.3
268.07434	9.5
281.04477	1.7
293.13989	64.2
293.17593	25.1
293.20898	2.1
296.06943	33.4
311.05853	1.9
311.09369	47.5
311.15033	54.3
311.18646	17.8
311.22351	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60750	0.2
66.45061	0.3
69.28647	0.3
71.66741	0.3
74.31252	0.3
76.61225	0.3
79.95729	0.3
85.04694	0.2
85.34570	0.3
113.09664	0.5
136.44527	0.3
139.11287	0.3
159.37033	0.3
171.10289	0.4
183.01215	18.0
198.03604	0.7
216.09903	0.3
230.02463	0.3
239.07211	0.4
267.19659	1.3
293.21255	6.2
311.16895	100.0
311.22147	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60126	0.2
70.76421	0.2
96.95966	0.5
98.95587	2.6
98.96405	0.2
100.53137	0.2
124.17097	0.2
135.89589	0.2
139.11298	0.4
155.10796	0.2
157.08699	0.5
169.79408	0.3
170.00346	0.5
171.10258	2.5
183.01207	18.7
184.01953	0.3
197.11845	0.3
211.13435	0.4
226.06703	0.3
228.56398	0.2
239.07436	0.3
240.08295	0.2
293.21234	1.7
311.16904	100.0
311.22037	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60126	0.2
70.76421	0.2
96.95966	0.5
98.95587	2.6
98.96405	0.2
100.53137	0.2
124.17097	0.2
135.89589	0.2
139.11298	0.4
155.10796	0.2
157.08699	0.5
169.79408	0.3
170.00346	0.5
171.10258	2.5
183.01207	18.7
184.01953	0.3
197.11845	0.3
211.13435	0.4
226.06703	0.3
228.56398	0.2
239.07436	0.3
240.08295	0.2
293.21234	1.7
311.16904	100.0
311.22037	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52766	0.2
57.60955	0.3
59.95543	0.3
64.01855	0.3
82.86545	0.3
105.83320	0.4
153.80966	0.3
171.10307	2.4
175.38577	0.3
183.01210	17.7
184.01976	0.5
196.39006	0.3
287.96951	0.3
293.21115	0.7
311.16907	100.0
311.22095	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04706	0.3
78.10773	0.3
98.95587	0.4
139.11293	1.5
141.12856	0.3
170.00415	0.5
171.10249	3.4
183.01205	18.4
197.02707	0.5
212.05188	0.5
237.11345	0.3
247.20715	0.5
263.38681	0.3
263.50073	0.3
273.48672	0.3
293.20978	2.1
308.65036	0.3
311.16898	100.0
311.22125	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86312	0.2
56.35878	0.3
61.55930	0.3
69.38179	0.3
70.91888	0.3
83.37754	0.3
98.95554	0.4
139.11269	0.6
148.45749	0.4
171.10251	2.4
183.01208	19.3
197.02802	0.4
212.05234	0.5
247.80226	0.3
255.15395	0.3
293.21439	0.6
311.16904	100.0
311.22037	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
50.29328	1.0
52.83538	1.0
59.01379	1.2
61.01199	0.9
68.23019	1.1
108.92101	1.1
165.51315	1.2
165.52560	1.1
167.14433	1.8
204.34068	1.1
207.17543	1.3
223.20663	1.2
249.18530	7.5
252.10129	1.2
267.19675	100.0
275.16574	10.2
293.17621	31.8
293.20831	2.2
311.18649	59.4
311.22290	12.7
311.25934	4.5
311.29474	1.5
318.35498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.61966	1.0
59.91261	0.9
61.51312	0.8
82.66073	1.2
89.84170	1.1
113.09743	1.4
131.40009	1.0
153.12833	1.3
157.08672	4.3
165.12785	1.3
167.14420	2.2
201.47667	1.2
211.13339	1.3
223.20638	1.5
249.18568	8.3
267.19678	100.0
275.16516	8.1
293.17651	40.9
293.21130	5.9
311.18652	72.9
311.22290	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.98840	2.8
52.38026	2.6
59.01370	4.0
59.71011	2.9
61.66571	3.4
73.02946	6.7
115.07629	21.2
123.08147	4.8
125.09686	25.0
127.07637	7.4
129.09218	7.2
137.09737	6.8
139.11279	4.5
141.09206	19.8
151.11328	5.3
153.09232	14.1
155.10777	48.9
165.09200	8.6
171.10257	16.5
181.08694	6.8
183.10272	30.6
195.10210	8.4
197.02463	5.3
199.09850	13.2
213.11330	64.1
223.17029	7.1
231.17523	5.1
237.01945	21.5
249.18593	4.3
252.04507	4.2
253.01291	4.1
267.16019	5.0
267.19562	4.1
275.16534	4.8
281.00928	43.0
293.17648	61.2
293.20859	7.2
296.03326	100.0
311.05704	82.2
311.14981	17.5
311.18665	64.1
311.22281	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Methynolide
Peak:m/z	Relative Intensity
56.70625	2.9
59.01379	4.5
72.64351	3.0
73.02942	3.1
85.06626	3.0
97.06571	13.9
98.03710	5.7
99.66237	3.0
113.09760	3.8
115.07601	12.3
125.09708	51.3
127.07615	5.9
129.09233	5.6
138.07240	2.8
141.09210	100.0
153.09102	3.8
155.10742	31.0
171.10275	5.0
183.10255	15.3
199.09828	4.5
200.79811	2.9
213.11285	6.1
223.17165	3.5
236.88365	3.1
262.25186	3.8
269.17542	3.1
275.16272	3.1
281.00839	3.8
293.17664	58.7
296.03268	11.8
311.02136	3.9
311.05606	12.5
311.09433	3.5
311.15240	5.2
311.18689	81.4
311.22144	10.6
311.29651	3.7
334.34689	3.5
334.60287	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.187
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01387	1.9
63.99248	0.9
64.85643	0.9
66.46150	1.0
69.32854	0.9
71.05042	1.4
83.05025	12.1
111.00858	0.9
111.04513	71.6
120.91603	1.1
122.66022	1.1
129.43095	1.0
137.09773	2.2
137.85048	1.2
138.48012	1.2
179.58327	1.1
181.12321	1.4
186.98438	1.2
199.13425	100.0
202.85861	1.1
205.16049	13.2
228.28810	1.0
237.14963	1.4
249.18648	2.5
260.47223	1.2
267.19629	2.4
275.16724	1.7
293.14035	10.1
293.17633	25.8
293.20865	2.1
311.15042	12.8
311.18658	19.8
311.22287	14.4
311.29648	1.9
326.08652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20688	0.7
59.01368	1.7
68.23969	0.8
83.05015	10.0
90.77964	0.7
92.22551	1.4
93.64586	0.8
104.34608	0.8
106.84007	0.8
111.04507	62.6
137.09735	1.0
141.09233	1.4
155.14429	1.1
160.79309	0.9
199.13409	100.0
205.15982	8.3
223.17195	0.9
233.11833	1.1
237.14995	1.3
249.14899	1.3
249.18661	3.6
267.19592	0.9
275.16489	1.5
293.14011	8.2
293.17612	25.0
293.20996	1.4
311.05829	1.0
311.14987	8.1
311.18655	15.5
311.22284	12.5
311.65591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.202
Annotation	Tibolone
Peak:m/z	Relative Intensity
57.83386	2.2
91.07045	2.1
91.75371	2.1
135.27225	2.3
137.05933	2.4
261.98553	2.1
267.21204	13.0
311.20157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.0
59.11118	1.2
71.01391	1.1
74.44958	1.2
127.11233	1.7
167.10686	1.6
171.10269	2.2
171.57677	1.5
185.13739	2.8
267.21555	1.9
269.21265	5.7
277.21759	80.9
293.21094	2.0
311.16910	7.7
311.20566	100.0
311.25949	39.6
311.29401	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.1
75.00882	1.2
92.59538	0.7
95.79009	0.8
166.57091	0.8
171.10245	1.3
175.04169	1.0
223.20685	19.7
226.59317	0.9
249.93272	0.8
251.20166	21.5
253.21616	1.5
267.19644	1.3
269.21255	100.0
279.23334	1.3
293.21207	1.4
311.22275	12.8
311.26016	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.92860	0.9
55.32361	0.9
62.29732	0.9
67.17113	1.0
75.00830	1.4
97.06577	1.3
102.10812	1.1
125.09664	1.4
165.22139	1.0
167.14342	2.4
171.10194	2.4
183.13794	5.7
195.13885	9.2
200.10416	1.5
211.13339	1.4
249.22159	1.2
265.21619	1.2
293.21240	16.9
311.16437	3.3
311.22079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.00597	5.2
58.03824	0.8
59.01384	1.0
62.76508	0.9
83.05045	1.2
87.87044	1.2
94.75216	0.9
99.08166	10.2
100.08504	6.3
105.87408	1.1
117.44823	1.0
123.63653	1.1
125.09743	1.4
127.07647	5.3
137.71758	1.5
139.11424	1.0
171.10216	1.9
183.13892	18.1
185.11841	2.5
186.12193	4.0
187.12395	5.6
195.13956	2.0
201.11293	8.4
209.11876	2.4
210.12213	8.8
211.12318	14.5
213.14984	5.6
241.14406	1.9
275.20157	5.2
293.20901	11.4
300.68539	1.0
311.09372	1.3
311.22229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63121	0.7
53.54658	0.6
53.73844	0.6
57.03447	1.3
80.49744	0.7
95.52290	0.8
103.76826	0.7
105.32233	0.8
111.08155	3.8
125.09715	0.8
127.11284	4.6
128.36578	0.7
131.86198	0.8
142.22545	0.7
155.10771	15.2
181.12346	21.2
183.10280	13.0
197.11850	0.8
199.13437	4.4
293.21326	3.6
311.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55928	1.0
53.22652	0.9
54.29020	0.9
57.02333	0.9
57.86553	0.9
58.33660	1.1
59.01381	2.1
61.75071	1.0
62.51892	1.2
73.86526	1.2
113.09697	2.7
129.09216	6.5
136.23685	1.4
149.48415	1.2
151.32195	1.2
162.90923	1.3
171.10313	1.5
181.12392	6.7
183.13864	5.3
193.12390	2.4
197.11804	8.5
199.13440	1.6
211.13380	15.6
235.22646	1.2
279.42062	1.2
293.21347	12.4
311.22311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.00597	5.2
58.03824	0.8
59.01384	1.0
62.76508	0.9
83.05045	1.2
87.87044	1.2
94.75216	0.9
99.08166	10.2
100.08504	6.3
105.87408	1.1
117.44823	1.0
123.63653	1.1
125.09743	1.4
127.07647	5.3
137.71758	1.5
139.11424	1.0
171.10216	1.9
183.13892	18.1
185.11841	2.5
186.12193	4.0
187.12395	5.6
195.13956	2.0
201.11293	8.4
209.11876	2.4
210.12213	8.8
211.12318	14.5
213.14984	5.6
241.14406	1.9
275.20157	5.2
293.20901	11.4
300.68539	1.0
311.09372	1.3
311.22229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.88544	1.1
53.64296	1.2
55.37778	1.2
56.62918	1.1
62.67706	1.0
67.62391	1.2
69.60921	1.0
81.98256	1.4
88.32421	1.0
89.35151	1.0
98.70486	1.1
125.09689	1.6
127.11282	4.3
139.11266	10.9
155.10825	2.2
167.18756	1.3
171.10271	55.5
183.10278	2.9
185.11858	11.7
201.11282	9.8
201.24181	1.3
235.00079	1.1
264.54404	1.4
275.20215	5.1
293.21259	16.1
311.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03427	1.6
60.15312	1.0
60.59436	1.0
75.13103	1.0
76.26395	1.0
76.85538	1.0
81.01726	1.0
93.58550	1.1
134.85431	1.1
139.17787	0.9
155.14427	14.6
162.75356	1.1
186.47346	1.1
195.17737	1.1
205.00224	1.1
249.19640	2.3
249.22246	66.2
257.25079	1.2
267.23380	3.8
293.21255	24.0
311.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.96481	0.6
54.59543	0.5
81.03450	0.7
83.05022	3.7
86.60000	0.7
96.84911	0.7
97.06554	1.2
98.28430	0.7
99.08137	5.5
113.09700	1.6
125.09705	3.9
139.11259	4.3
148.99487	0.8
153.12840	1.6
157.08774	5.7
171.10269	14.7
185.11842	1.3
193.12491	0.7
195.13849	0.8
200.21884	0.7
209.15579	0.9
211.13397	1.0
225.14940	4.6
275.20087	1.5
293.21207	24.8
311.22308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45256	0.7
53.30764	0.7
55.82655	0.8
57.03443	1.7
59.01367	1.2
82.61646	0.7
85.94666	0.8
88.37544	0.7
97.06555	3.3
111.08147	5.3
112.97032	1.0
113.09721	8.0
127.11286	2.1
153.12843	5.3
157.08701	15.9
159.38644	0.9
167.14339	1.0
171.10260	3.3
177.12758	1.1
211.13420	7.1
214.84256	0.8
233.83420	1.0
249.22227	1.4
278.58820	1.0
293.21234	21.3
311.22314	100.0
319.41510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93384	0.6
58.00599	1.8
59.01374	1.1
59.13395	0.8
64.97926	0.7
75.83055	0.7
106.29532	0.8
111.08173	1.3
113.27528	0.8
125.09665	1.5
127.07644	1.1
127.11283	5.2
138.75150	1.0
139.11263	1.6
155.10750	6.1
163.11264	1.0
171.10278	1.9
181.12358	10.8
183.10324	7.3
183.13899	7.1
199.13425	1.8
201.11328	24.3
213.14990	1.3
241.14444	1.4
241.74158	0.9
275.20197	1.6
293.21213	5.0
298.63754	1.0
311.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01371	2.4
70.55021	0.9
72.23297	0.9
79.12841	0.8
86.48686	1.1
89.26362	0.9
103.93044	1.3
108.30856	1.0
113.09696	1.9
127.11281	1.8
129.52199	1.1
139.11319	10.9
155.10786	1.5
171.10274	34.0
183.10265	1.6
185.11850	5.5
193.12302	4.3
197.12061	1.1
201.11374	3.8
211.13402	5.7
269.21826	1.1
275.20129	2.2
281.12173	1.1
293.21237	10.9
306.20975	1.1
311.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
56.31956	0.6
57.03429	0.9
71.74693	0.8
77.92477	0.6
83.05003	1.0
97.40742	0.8
99.08118	3.1
113.09705	4.8
125.09759	1.0
125.56708	0.8
129.09190	5.0
134.35974	0.8
136.55498	0.9
139.11336	1.1
169.12256	3.4
171.10210	6.3
178.50023	0.9
181.12357	4.1
183.13896	1.9
193.12338	3.1
195.54457	0.8
197.11835	12.6
199.13306	5.6
211.13382	18.5
293.10815	0.8
293.21307	10.9
311.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.93303	0.8
53.61008	0.7
55.44384	0.9
55.47144	0.8
55.47467	0.9
56.76818	0.9
57.75850	1.0
74.35526	0.9
92.23071	1.3
95.22184	1.0
109.47821	1.0
113.09740	1.1
121.10120	1.1
125.09701	1.7
127.11267	2.0
132.82713	1.0
136.16498	1.0
139.11290	7.7
171.10277	29.7
181.90900	1.1
183.10233	1.6
185.11861	4.6
197.11778	3.8
201.11267	4.1
211.13316	7.5
275.20084	1.3
287.00000	1.1
293.21350	9.7
311.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
50.67691	0.7
53.32616	0.8
56.82100	0.9
70.27852	1.2
74.13674	0.8
74.72729	1.1
127.07711	1.8
165.12840	4.7
183.14000	1.7
191.14410	2.1
249.22043	1.3
277.21683	1.3
293.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
56.42066	1.3
57.03447	9.1
59.01363	2.2
59.71800	1.3
61.23673	1.3
78.51575	1.5
79.69531	1.5
113.09729	32.9
115.29784	1.5
124.07368	1.4
126.39803	1.5
126.86831	1.4
139.11285	3.7
167.10745	2.9
179.10672	2.2
195.13924	6.3
223.13383	7.6
249.22282	2.5
293.21274	100.0
311.22382	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03434	4.8
58.21787	5.3
60.39624	4.1
61.52303	4.1
64.71003	4.1
87.55163	4.5
99.02946	4.7
110.88460	5.5
121.13140	4.9
125.09651	7.2
144.60817	5.7
161.40414	5.4
171.10255	11.0
185.11766	9.1
224.58990	5.7
274.40100	5.3
286.18591	6.3
293.21213	100.0
311.16696	9.1
311.22208	64.7
311.29617	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01369	4.0
60.83714	3.5
61.66674	3.1
64.06613	2.8
69.87334	3.1
84.57678	3.1
97.06588	3.5
101.36194	3.7
109.97456	3.1
111.08147	5.1
116.37628	2.9
125.09705	6.6
141.09178	5.5
152.41805	3.7
153.09225	15.1
157.08665	17.6
157.12296	6.1
171.10263	14.4
171.13899	33.7
197.57140	4.0
261.82404	4.0
267.23276	4.6
283.22751	4.4
293.21347	23.8
302.17374	3.3
311.16794	15.8
311.22110	100.0
311.29736	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96335	0.9
51.07121	0.9
52.72224	1.0
57.03446	4.5
58.61783	0.9
60.26605	0.9
65.08762	1.1
68.85280	1.2
69.23775	1.1
73.47161	1.2
87.04507	23.3
100.95228	1.0
104.05635	1.0
143.24089	1.2
223.17043	58.5
225.93246	1.1
235.17050	5.6
264.74008	1.3
275.20081	3.9
293.21329	5.4
303.62747	1.3
311.22330	100.0
314.29056	1.1
331.00916	1.1
332.80298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.10669	0.7
58.41835	0.8
62.32004	0.8
78.15946	0.8
83.80608	0.8
92.23070	1.4
113.09718	1.9
125.09695	1.2
139.11275	6.0
149.09715	1.0
151.11195	1.1
153.09102	1.4
157.08667	1.9
169.12318	1.8
171.10260	29.0
181.12335	1.4
183.10405	1.5
183.13765	1.4
185.11835	4.4
197.11865	11.0
199.13391	3.6
201.11295	1.3
211.13409	16.5
222.13579	0.9
246.25217	0.9
275.20102	1.4
293.21240	13.7
306.56891	0.9
311.22308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2593
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
53.48113	0.9
87.29820	1.1
98.51180	1.0
166.08839	1.0
171.10333	1.0
263.23868	2.6
265.25412	84.7
265.74664	1.2
311.16946	1.8
311.22504	6.0
311.25952	100.0
311.29367	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2593
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
54.83055	1.1
71.01374	3.3
77.93183	1.3
151.46497	1.4
239.23946	9.9
253.21762	2.3
265.25308	2.3
267.26913	8.3
311.17267	2.6
311.22351	7.7
311.25934	100.0
330.12564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2595
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
59.01361	1.1
92.22968	2.4
106.32863	1.0
124.17852	1.1
129.08871	1.2
132.04132	1.2
183.13878	4.8
199.13367	7.1
205.27522	1.2
260.20459	1.1
293.21597	1.9
293.24878	15.2
311.16660	2.3
311.22244	18.1
311.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76630	0.5
54.52501	0.5
54.70447	0.6
59.01397	0.7
61.05759	0.6
63.13371	0.6
64.67548	0.6
76.09577	0.7
83.66930	0.6
92.22451	0.7
92.22979	1.4
101.18217	0.6
117.45517	0.7
127.11257	3.1
134.57915	0.6
139.47411	0.7
164.31442	0.7
171.10278	14.1
178.46869	0.7
193.41521	0.6
213.47778	0.6
281.66400	0.8
287.44827	0.7
293.21603	1.8
293.24899	17.3
309.24429	1.2
311.16910	2.8
311.22412	9.6
311.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.6
78.59952	0.5
80.20098	0.5
81.03460	0.6
83.99979	0.5
92.22523	0.8
110.59236	0.6
122.58784	0.6
127.61462	0.5
155.10780	20.6
155.14462	0.7
259.37628	0.6
293.21588	1.3
293.24893	20.8
309.24313	1.3
311.25952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2959
Annotation	Arachidic Acid
Peak:m/z	Relative Intensity
50.97339	0.4
53.78548	0.4
53.93693	0.5
59.16087	0.5
77.34823	0.5
105.69009	0.5
171.10307	0.6
311.16980	2.2
311.29599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2959
Annotation	Arachidic Acid
Peak:m/z	Relative Intensity
50.06673	0.4
55.17573	0.5
68.78189	0.5
71.46777	0.5
106.46464	0.5
106.60458	0.5
141.36996	0.6
216.40271	0.5
240.16464	0.5
311.29590	100.0
313.36313	0.5
329.89130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30650	0.7
55.74749	0.9
56.07601	0.9
58.93750	0.7
64.57696	0.8
106.49188	1.0
107.95985	1.0
122.85921	1.0
128.31570	1.0
172.87836	1.1
174.03064	1.0
174.50587	1.1
182.06186	1.3
194.06154	14.9
195.06870	1.2
196.07671	15.5
198.05597	1.1
200.07167	3.9
208.04025	2.1
209.04890	4.5
210.05634	12.6
212.07195	29.2
222.05652	8.1
224.07173	78.3
228.06537	2.1
238.05132	6.0
259.33923	1.1
268.06177	100.0
312.05099	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48970	0.9
76.01914	1.9
78.62759	0.8
88.26984	0.8
91.44817	0.9
111.26739	0.9
118.44148	1.0
119.05007	1.5
164.04375	1.1
181.05338	1.3
181.53282	1.1
182.06189	1.3
194.06107	12.2
195.06851	1.8
196.07674	19.9
198.05618	2.3
200.07120	3.9
208.04015	1.9
209.04947	7.0
210.05624	12.3
212.07193	33.9
222.05597	10.2
224.07173	85.4
228.06653	4.4
238.05080	13.0
268.06177	100.0
282.18695	1.2
312.05212	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35003	1.0
57.61969	0.9
75.70288	0.9
88.06415	1.0
89.04033	1.2
91.23172	1.0
145.02455	1.1
181.05321	1.7
182.06155	1.2
194.06151	15.1
195.06902	1.3
196.07687	22.8
200.07159	1.2
208.04147	1.7
209.04832	5.4
210.05659	9.6
212.07211	21.9
222.05602	12.9
224.07184	100.0
228.06656	2.2
238.05078	6.4
268.06180	95.8
312.05212	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
76.01910	1.6
77.12936	0.9
100.94743	1.0
104.39739	1.0
119.04990	1.1
121.17796	1.0
124.71920	1.0
127.61906	1.0
157.75888	1.0
183.01659	1.0
188.43634	1.2
194.06146	14.5
195.06862	3.3
196.07684	23.3
200.07169	1.8
208.04044	2.3
209.04852	4.3
210.05644	10.9
212.07227	23.3
222.05652	12.3
223.06367	1.1
224.07193	100.0
226.05173	1.3
228.06812	1.7
238.05226	6.9
240.06783	1.1
268.06189	91.8
283.24579	1.0
312.05182	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47658	1.2
68.41730	1.2
80.76587	1.2
82.56313	1.4
88.28655	1.4
102.27415	1.4
110.44073	1.4
126.72411	1.5
181.05313	2.1
182.06235	2.0
194.06052	11.0
196.07674	21.8
200.07199	2.5
208.04131	3.2
209.04846	5.6
210.05634	13.3
212.07167	25.6
222.05559	9.9
224.07187	76.4
226.05159	1.6
226.37694	1.4
228.06641	2.1
238.05154	11.3
250.07130	1.4
268.06180	100.0
312.05139	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71278	1.7
98.72524	1.6
143.99719	1.9
145.53293	1.6
194.06143	17.3
196.07689	23.9
200.07188	2.2
208.03976	3.6
209.04829	4.5
210.05565	8.7
212.07217	24.1
214.05089	2.1
222.05637	12.2
224.07179	100.0
238.05170	8.4
268.06186	97.6
312.05115	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56625	1.0
59.39233	0.9
62.57697	1.0
68.79234	1.1
76.01926	1.5
77.91113	0.9
81.21186	1.1
130.61948	1.4
181.05289	2.0
194.06166	10.8
196.07678	19.6
200.07187	1.8
208.03973	2.4
209.04845	5.4
210.05722	9.5
212.07155	23.7
222.05659	9.5
224.07179	95.4
228.06822	1.4
238.05176	5.1
268.06174	100.0
312.05264	19.8
317.41638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11515	0.8
72.36146	1.0
194.06102	12.8
195.06897	2.2
196.07706	20.7
198.05647	1.6
200.07076	1.3
208.04034	1.4
209.04823	2.7
210.05591	9.0
212.07204	19.2
222.05615	9.7
224.07185	100.0
225.74580	1.1
228.06671	1.9
238.05121	5.9
268.06189	87.5
291.46555	1.3
312.05161	16.2
331.29929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34604	1.2
59.04610	1.3
62.17529	1.2
75.95338	1.2
99.66428	1.4
126.76966	1.4
178.82710	1.5
190.89682	1.3
194.06107	14.5
196.07718	15.5
200.07216	2.5
208.03987	5.3
209.04834	6.8
210.05614	11.5
212.07175	23.6
222.05594	9.4
224.07179	77.0
228.06653	2.5
238.04970	7.3
268.06168	100.0
276.75134	1.6
312.05133	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37308	1.1
51.32442	1.1
53.76907	1.1
70.01842	1.3
75.58009	1.2
119.04999	2.1
164.04350	1.9
182.06126	1.7
194.06139	15.4
194.07651	1.6
195.06831	1.3
196.07692	17.8
198.88557	1.4
208.04080	2.4
209.04800	5.8
210.05589	10.3
212.07239	27.2
222.05553	9.8
224.07187	100.0
226.05145	1.3
228.06967	1.4
238.05092	8.1
268.06201	87.6
312.05148	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49024	0.7
78.72073	0.8
80.53761	0.8
88.32112	0.7
89.99023	0.7
93.03434	1.2
106.04239	4.9
108.02169	0.9
135.04465	0.9
146.03752	1.1
147.03339	1.3
147.04520	23.3
148.04048	0.8
149.04872	1.1
150.05600	1.3
159.04497	1.5
161.06050	1.0
176.07167	17.2
179.03528	3.9
180.00368	0.8
191.09544	39.9
197.06158	3.1
206.11884	13.8
211.06143	3.2
211.07657	7.0
222.04773	0.8
222.06847	1.1
223.07594	1.4
224.07190	1.4
225.05615	26.0
225.07765	1.2
226.08769	17.2
238.08577	1.1
239.07133	25.7
240.08022	1.8
253.07443	3.4
254.08206	4.3
268.06689	2.0
268.09830	15.1
269.10599	1.4
269.14236	1.3
281.07175	0.9
282.07736	40.1
296.09338	5.7
297.10092	100.0
297.13681	27.3
309.43658	1.0
312.12439	56.8
312.16113	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1245
Annotation	Cuscuta propenamide 1
Peak:m/z	Relative Intensity
56.41420	1.6
59.45020	1.4
61.23457	1.3
69.78790	1.3
73.85951	1.7
74.43980	1.4
84.00742	1.6
95.26260	1.7
133.05345	1.9
134.03708	1.6
135.04535	16.0
141.09195	2.5
142.09601	2.1
148.05305	88.7
153.52426	1.6
176.03539	6.0
177.04341	1.8
178.05096	50.5
184.57320	1.5
190.05101	15.8
294.18011	2.4
297.09943	12.3
312.12448	100.0
312.18710	2.7
328.05536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1246
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.76660	0.7
59.43702	0.9
76.48898	0.9
84.85687	0.9
100.83574	0.9
108.17648	1.0
133.05328	1.8
134.03735	2.2
135.04510	19.3
147.04541	1.3
148.05302	100.0
152.18524	1.0
172.05222	1.1
176.03534	5.9
177.04294	1.2
178.05093	49.6
190.05124	20.0
191.05812	2.0
252.47032	1.0
253.08928	1.3
297.10101	11.4
312.12448	95.3
324.94943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54861	1.0
53.06550	0.9
53.13204	0.9
54.97722	0.9
57.03448	4.4
57.24187	0.9
62.25729	1.0
71.05009	2.3
80.11298	1.2
80.42091	0.9
80.46757	0.9
85.06585	1.2
112.10593	0.9
159.25897	1.0
167.10783	1.6
175.72340	1.2
179.14427	100.0
195.13916	6.8
197.15495	20.5
205.12299	2.0
207.13867	2.1
216.33290	1.0
223.13361	17.5
225.14958	21.1
240.16054	33.1
269.13959	24.8
294.13489	1.8
312.14600	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48553	0.7
93.03450	5.3
100.37846	0.7
104.51008	0.9
116.32404	1.0
117.03476	0.9
118.73637	0.9
145.02933	1.8
147.04535	21.9
191.09566	1.1
225.18808	0.9
238.06349	1.6
238.96718	0.9
239.07149	91.1
253.08757	7.0
282.11401	1.2
286.02432	0.9
297.13724	36.2
312.16089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60234	1.1
54.20415	1.0
57.85419	1.2
93.03435	2.3
105.98327	1.3
106.04218	6.0
130.94261	1.3
146.03723	1.6
147.04512	43.8
160.05302	1.5
161.02448	2.1
176.07169	29.9
179.03453	6.7
183.08107	1.7
191.07767	2.1
191.09520	56.2
197.06078	2.4
206.11835	20.1
211.07674	16.5
225.05586	45.4
226.08694	2.9
238.06247	1.5
239.07162	37.9
240.07872	6.9
268.09750	3.3
269.14227	2.9
282.07736	3.4
297.10114	11.6
297.13690	40.7
312.12454	10.1
312.16034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39943	0.6
59.64728	0.6
65.46494	0.7
71.16988	0.6
76.33601	0.6
76.54735	0.7
93.03461	4.6
145.02930	1.3
147.04515	22.8
150.63107	0.7
155.07507	0.7
174.13518	0.7
176.07286	1.1
221.06078	2.7
224.07230	3.1
236.77394	0.7
238.06320	1.5
239.07149	100.0
253.08734	9.5
254.09447	1.6
268.06122	3.4
297.13715	40.9
312.16086	96.6
312.72668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73446	0.7
60.49775	0.7
77.04885	1.0
93.03439	4.3
93.21231	0.9
102.91282	0.9
104.13326	0.8
112.45027	0.8
123.04492	1.3
145.03015	1.3
147.04523	21.5
156.48343	1.0
159.04474	1.1
191.09485	0.9
191.46149	0.9
221.06123	2.1
238.06496	1.6
239.07143	91.2
246.66406	0.9
253.08746	6.7
297.10388	1.8
297.13715	37.3
312.16092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39943	0.6
59.64728	0.6
65.46494	0.7
71.16988	0.6
76.33601	0.6
76.54735	0.7
93.03461	4.6
145.02930	1.3
147.04515	22.8
150.63107	0.7
155.07507	0.7
174.13518	0.7
176.07286	1.1
221.06078	2.7
224.07230	3.1
236.77394	0.7
238.06320	1.5
239.07149	100.0
253.08734	9.5
254.09447	1.6
268.06122	3.4
297.13715	40.9
312.16086	96.6
312.72668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90727	1.5
52.60778	2.2
53.92999	1.6
59.01394	1.7
64.28890	1.9
71.92145	2.0
101.43961	1.9
105.31384	1.9
106.04255	4.9
118.27195	2.1
129.75490	2.0
147.04506	36.8
176.07196	28.1
178.01440	2.4
179.03429	3.3
191.09540	66.1
197.06052	2.3
199.60492	2.2
206.11899	18.8
211.07631	12.2
225.05603	42.9
228.08214	2.2
239.07144	49.4
267.88190	2.3
268.13434	3.1
269.14160	2.5
282.07690	4.3
297.10089	11.6
297.13693	44.8
312.12714	5.8
312.16046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56148	0.8
53.17532	0.8
63.15224	0.8
73.98560	1.1
90.77336	1.1
168.14691	1.4
224.20978	3.7
250.18964	6.8
251.37097	1.2
267.19626	6.3
268.20023	100.0
276.16910	12.4
277.79587	1.3
294.15417	1.5
294.17984	42.6
294.21286	1.6
312.19043	74.3
312.22668	3.6
321.25760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2547
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
57.03456	2.8
58.02982	9.6
71.05024	7.6
78.60137	1.7
81.56754	1.4
85.39778	1.6
90.12530	1.3
111.08147	15.9
123.09838	1.4
127.11287	8.5
128.10820	5.8
131.51430	1.4
138.09215	3.1
141.12860	24.9
148.05234	1.7
152.10829	1.9
155.14445	1.9
156.10309	24.4
165.12892	7.3
166.12386	3.5
170.11873	18.1
181.15944	2.0
184.13441	8.0
251.57520	1.6
276.20581	2.6
276.23486	7.0
292.22876	1.7
294.21420	2.3
294.24420	42.5
312.12686	1.6
312.22562	16.7
312.25574	100.0
317.56100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2547
Annotation	N-Palmitoyl Glycine
Peak:m/z	Relative Intensity
52.60197	0.6
53.79190	0.7
56.18730	0.6
60.67475	0.6
74.02470	100.0
83.05451	0.6
84.04528	1.0
87.03284	0.7
118.13763	0.6
157.11569	0.7
268.26459	7.7
312.25479	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2548
Annotation	N-Palmitoyl Glycine
Peak:m/z	Relative Intensity
57.05762	1.1
60.51470	1.1
62.57385	1.0
74.55871	1.1
77.88721	1.1
79.95735	1.4
80.55250	1.2
91.37969	1.2
91.94069	1.0
95.09193	1.3
96.75835	1.1
120.41544	1.2
125.53290	1.3
126.38196	1.2
137.51582	1.3
170.11850	5.6
171.10237	1.7
206.09735	1.3
207.42131	1.2
272.56439	1.5
312.25494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2546
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.86489	1.9
58.02966	3.8
59.01394	2.1
66.28765	2.1
85.06593	13.0
99.08157	19.4
111.08098	2.5
116.07202	4.4
119.81885	2.3
123.08126	2.3
135.21930	2.7
153.12856	16.4
166.21989	2.3
170.15515	5.1
179.14418	3.0
180.14006	5.3
181.12317	4.9
183.64206	2.3
193.15997	9.3
198.15005	20.0
205.28595	2.3
208.17139	4.4
212.16611	10.9
224.16754	2.6
226.18095	4.3
230.98347	2.6
276.23346	4.7
292.22757	3.1
294.24429	47.9
311.48755	2.7
312.22263	14.3
312.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0359
Annotation	Endocrocin
Peak:m/z	Relative Intensity
56.34879	0.8
59.01370	0.8
61.75607	0.7
79.01890	0.9
98.81797	0.7
100.13643	0.7
103.01886	1.1
121.02943	1.7
150.03125	0.7
162.76176	0.7
165.01939	3.6
169.06624	1.3
171.04495	3.1
183.08223	1.5
190.99908	10.1
195.04517	4.1
197.06122	13.3
199.04013	1.8
209.00964	0.8
211.04131	0.9
213.05600	1.7
223.04034	6.9
225.09201	4.1
227.03510	1.2
227.07138	4.4
239.03317	1.3
241.08656	0.9
252.47627	0.8
253.05042	3.1
253.09267	1.0
263.89508	0.9
267.03024	0.9
269.04581	100.0
269.08160	24.0
283.02490	0.9
295.02484	46.2
295.06128	26.3
298.05103	0.8
313.03564	71.4
313.07233	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77020	8.3
58.84238	8.1
59.01377	26.3
66.71089	9.0
72.99271	12.0
73.84546	10.9
78.95915	15.2
96.96905	12.5
116.65637	11.3
124.20253	9.3
128.07275	11.8
151.04001	63.0
161.14388	10.5
276.83823	52.0
294.84814	14.4
312.85965	19.8
313.06964	100.0
313.11209	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39136	9.8
59.01368	21.4
61.13248	10.0
77.26959	9.2
78.95932	14.1
81.90027	11.6
88.38400	10.4
89.02438	27.1
94.53561	9.6
123.04525	23.5
134.72255	11.6
150.03233	26.8
151.04030	100.0
191.05005	11.9
312.95508	19.6
313.06882	97.6
313.10727	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77020	8.3
58.84238	8.1
59.01377	26.3
66.71089	9.0
72.99271	12.0
73.84546	10.9
78.95915	15.2
96.96905	12.5
116.65637	11.3
124.20253	9.3
128.07275	11.8
151.04001	63.0
161.14388	10.5
276.83823	52.0
294.84814	14.4
312.85965	19.8
313.06964	100.0
313.11209	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
54.79613	0.6
55.87758	0.5
57.18143	0.6
72.14589	0.5
73.68446	0.7
74.81767	0.5
81.25803	0.6
113.06145	0.7
131.68759	0.6
145.40828	0.7
153.07138	0.7
164.18951	0.8
171.08180	1.0
181.06589	6.9
183.04416	0.8
193.06563	2.5
197.06087	3.8
208.05356	3.1
209.06071	13.4
210.03235	3.5
224.04822	1.5
225.05591	22.4
237.05682	4.6
253.05083	43.9
281.04587	100.0
313.07233	29.8
313.23865	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0723
Annotation	Aglalactone
Peak:m/z	Relative Intensity
56.14735	0.9
59.01373	2.2
61.17962	0.9
92.22495	1.2
98.57051	0.9
107.66959	0.9
128.16478	0.9
177.34120	0.9
183.04407	1.0
211.04070	8.1
224.85747	0.9
239.03520	57.0
254.05873	33.3
255.03043	3.7
269.08182	4.1
283.02518	80.7
298.04868	99.2
313.04172	3.5
313.07217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
57.03450	1.9
59.01386	23.5
63.19707	1.4
67.84031	1.7
69.03345	1.5
71.01383	44.1
72.99307	3.6
73.02941	21.0
75.00869	51.3
83.01379	11.2
85.02937	18.6
99.00860	6.9
101.02441	44.0
106.04235	4.3
107.05019	30.7
112.09576	1.7
113.02459	17.9
114.82656	2.4
116.91006	1.8
123.04529	12.5
138.75360	1.7
150.03249	11.1
151.04010	100.0
151.05211	3.9
159.03008	2.7
161.04567	23.3
182.80156	1.9
207.10237	8.0
218.51076	1.9
237.11632	2.1
269.10345	7.0
281.93707	1.7
313.09314	34.1
313.12961	40.0
326.37909	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41073	0.5
57.77173	0.8
59.01378	3.6
59.30644	0.7
65.98415	0.8
71.01384	5.5
73.02942	6.0
79.83514	0.7
85.02950	3.2
91.41878	0.7
101.02425	4.2
103.89179	0.8
106.04230	5.1
107.05029	40.4
111.38117	0.9
113.02454	3.3
115.33342	0.7
123.04510	5.1
138.96793	0.8
151.04012	100.0
158.05627	0.9
161.04570	6.1
164.68037	0.8
215.03726	0.9
313.09354	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86419	0.9
53.18816	1.1
54.20550	1.0
57.03461	1.5
59.01392	10.2
69.73777	1.2
71.01377	26.0
72.99303	5.8
73.02922	10.8
75.00867	100.0
77.27894	1.2
85.02947	12.4
87.00868	8.7
93.03453	7.4
95.01360	1.4
99.00883	4.5
101.02444	16.0
106.04255	9.2
107.05024	57.6
113.02467	9.6
123.04578	1.6
126.67644	1.2
138.08640	1.4
151.04007	80.6
159.02994	2.2
161.04539	11.2
162.25148	1.2
179.07162	2.0
195.07799	1.6
197.70641	1.2
199.61777	1.4
207.10344	5.5
215.05606	1.7
218.45984	1.5
253.08330	1.4
313.09430	27.5
313.12985	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86419	0.9
53.18816	1.1
54.20550	1.0
57.03461	1.5
59.01392	10.2
69.73777	1.2
71.01377	26.0
72.99303	5.8
73.02922	10.8
75.00867	100.0
77.27894	1.2
85.02947	12.4
87.00868	8.7
93.03453	7.4
95.01360	1.4
99.00883	4.5
101.02444	16.0
106.04255	9.2
107.05024	57.6
113.02467	9.6
123.04578	1.6
126.67644	1.2
138.08640	1.4
151.04007	80.6
159.02994	2.2
161.04539	11.2
162.25148	1.2
179.07162	2.0
195.07799	1.6
197.70641	1.2
199.61777	1.4
207.10344	5.5
215.05606	1.7
218.45984	1.5
253.08330	1.4
313.09430	27.5
313.12985	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	AC1LCL42
Peak:m/z	Relative Intensity
50.55227	0.7
51.43660	0.6
51.60887	0.6
55.73487	0.6
59.33985	0.6
62.07920	0.6
67.65926	0.6
68.61106	0.7
69.04196	0.7
73.62496	0.7
79.01894	0.9
89.83029	0.7
119.05044	1.5
127.38746	0.8
134.03676	0.9
135.04527	1.3
145.30830	0.7
147.04539	1.2
150.03206	4.6
151.04010	7.0
152.04807	3.1
165.05505	1.1
166.06355	12.9
167.07172	1.9
178.02719	18.1
179.03508	5.0
180.04262	1.5
183.88585	0.7
191.03499	0.8
193.05103	4.3
197.06145	1.3
207.02988	4.0
239.42406	0.8
241.05038	4.0
242.09465	4.0
251.07181	5.6
252.07951	4.7
255.05748	3.6
267.06760	1.6
267.10385	4.0
269.04590	20.0
269.07919	2.7
270.05356	1.1
270.08066	1.4
280.07443	20.8
281.08292	1.2
295.02478	5.1
295.06644	1.3
295.09772	10.0
298.04797	9.1
298.07977	1.6
313.03461	7.4
313.07202	40.4
313.10846	100.0
313.23627	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1196
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
57.75097	0.8
59.01378	7.2
71.48744	0.8
92.23100	1.3
120.08198	1.6
121.05360	2.0
122.06123	4.9
130.08745	6.4
134.06148	2.2
151.34004	0.9
160.06389	1.9
174.05649	0.9
182.08212	1.7
182.53786	0.8
197.07306	1.6
198.36774	0.9
211.08868	1.1
213.10341	20.8
225.10278	1.3
227.12181	1.1
236.09564	1.6
239.08292	1.3
239.12061	1.7
241.09868	10.2
241.13440	17.3
242.11964	1.7
251.11890	21.6
253.09550	1.8
267.11371	1.9
269.12967	18.1
271.08698	3.3
285.12479	20.4
295.10892	1.5
298.04825	1.1
313.12045	100.0
313.17172	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1197
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
52.13105	1.4
53.90624	1.5
65.10233	1.5
67.98802	1.3
69.86594	1.3
106.06612	29.4
120.04544	13.7
125.09702	2.9
132.04562	3.2
136.07675	97.3
136.91676	1.6
150.05620	7.8
155.10759	1.6
180.06609	5.1
214.12372	13.2
215.09560	2.4
223.12439	18.3
242.11874	39.6
251.11902	50.3
251.20193	3.1
254.10519	2.2
269.12985	100.0
271.61935	1.7
295.22452	2.2
313.11963	98.9
313.20215	11.7
313.23831	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90528	0.6
72.99299	7.6
75.00867	100.0
83.70724	0.7
97.93877	0.7
111.81932	0.7
125.06123	1.1
137.06097	0.8
179.07129	3.8
207.10307	4.7
219.10318	1.1
272.94720	1.0
279.04480	0.7
313.12964	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1297
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
58.63907	0.6
59.20483	0.6
67.79543	0.6
70.71423	0.6
72.99295	7.7
74.09065	0.5
75.00867	100.0
97.09460	0.7
99.10533	0.7
102.16024	0.6
137.06026	0.8
162.15083	0.8
179.07167	4.6
207.10274	5.6
236.31129	0.6
237.11127	0.9
293.32690	0.7
313.12976	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11834	0.6
56.44743	0.7
57.03450	0.9
58.38786	0.8
59.01370	0.9
62.85570	0.7
72.99307	10.2
75.00865	100.0
83.56126	0.8
83.56641	0.7
121.20600	0.8
125.06042	0.8
137.06114	1.0
151.03998	12.7
179.07170	5.9
207.10239	3.7
237.11522	1.0
313.12961	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
51.13699	0.9
53.44703	0.8
56.17862	0.9
72.99292	5.6
75.00863	100.0
78.36826	1.0
83.14860	1.0
86.41460	1.0
144.64964	1.1
151.26933	1.0
160.05914	1.0
179.07210	1.7
194.67336	1.0
207.10332	4.7
261.07443	1.2
313.12955	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01386	0.5
70.14698	0.5
72.99297	7.9
75.00867	100.0
79.16792	0.4
81.44545	0.4
87.48634	0.5
92.22469	0.4
125.06078	0.6
135.18423	0.6
137.06081	1.0
139.07629	0.6
146.42320	0.6
149.05975	0.5
150.39650	0.6
151.04047	0.9
155.58830	0.6
167.17990	0.5
168.20711	0.5
179.07141	4.8
179.90764	0.5
195.10312	0.6
207.10277	6.2
219.10320	0.6
237.11368	1.2
313.12970	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45798	0.5
57.03455	0.7
57.95409	0.5
59.01369	0.7
63.16940	0.5
65.64403	0.5
67.23345	0.6
72.99303	8.3
75.00867	97.0
75.17419	0.5
87.00875	0.5
96.42780	0.5
100.68539	0.6
116.62890	0.5
125.06069	1.0
137.06081	1.4
139.07619	0.6
152.07986	0.6
161.06004	0.7
179.07114	3.2
185.50925	0.6
207.10190	6.5
219.10263	0.8
237.11284	1.1
240.07538	1.2
313.12979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13869	0.7
59.37313	0.8
63.77940	0.7
65.51707	0.6
72.99298	9.2
75.00867	100.0
125.06037	0.8
136.05220	0.9
153.53476	0.9
179.07132	4.4
205.10689	0.8
207.10294	6.7
211.25864	0.8
237.11307	1.3
279.84811	0.8
313.12970	84.6
315.99503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55619	0.7
57.03465	1.2
59.01379	2.0
70.21955	0.8
71.01368	1.2
71.29296	0.8
72.99298	7.9
74.49472	0.8
75.00869	96.3
86.39806	0.8
89.02442	1.6
107.05010	4.7
113.02509	0.9
125.51564	1.0
139.07770	1.1
150.06836	3.4
151.04047	7.5
152.21788	0.9
158.12598	0.8
164.07213	1.3
165.09251	1.0
179.07153	4.1
207.10274	6.1
215.05490	1.3
308.92935	0.9
313.13007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88987	0.5
59.01389	0.7
69.15599	0.6
72.22034	0.7
72.99310	7.8
72.99973	0.7
75.00868	100.0
76.43275	0.6
83.18037	0.6
98.04233	0.6
106.51086	0.5
108.17216	0.6
117.75672	0.7
125.06101	0.9
136.05334	1.0
139.07625	0.9
168.01488	0.6
177.09207	0.7
179.07132	4.1
195.10321	1.0
207.10309	4.3
219.10266	0.7
237.11218	1.0
313.12967	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1297
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
53.94122	0.5
57.03458	0.7
59.01368	1.0
68.37401	0.4
72.99315	5.9
75.00868	100.0
82.50592	0.5
91.92813	0.5
97.02922	0.7
107.05028	0.8
117.33728	0.5
118.04639	0.5
125.06073	0.7
136.05205	0.5
137.06096	1.2
139.07669	0.5
144.94519	0.6
151.03967	0.7
179.07129	4.5
195.10207	0.7
207.10294	5.2
237.11334	2.3
295.38742	0.6
313.12979	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22851	0.7
62.46450	0.7
66.77930	0.8
72.99310	9.3
75.00870	100.0
76.90965	0.8
87.53284	0.8
99.62476	0.9
125.86917	0.8
129.34038	0.9
137.06018	1.3
164.14699	0.8
179.07130	5.2
198.21198	0.9
207.10294	4.4
237.90291	0.9
313.12985	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1447
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
51.40507	0.7
53.19012	0.7
58.47087	0.6
58.70830	0.7
69.30507	0.8
75.00864	7.2
78.72092	0.8
83.02577	1.2
89.55204	0.8
92.22549	1.0
137.60832	1.2
146.03732	61.2
147.04521	45.0
148.01694	3.4
154.48636	0.9
158.41991	0.8
159.04488	6.8
178.02713	4.0
199.07700	3.3
244.07619	1.7
255.23326	6.0
267.26941	3.7
269.15488	30.6
269.18289	1.6
313.14490	100.0
313.23831	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1662
Annotation	Resiquimod
Peak:m/z	Relative Intensity
52.35159	0.7
59.01384	4.4
83.82670	0.8
85.83347	0.8
91.04034	1.4
99.16706	0.8
113.06318	0.8
121.51654	0.8
139.03925	0.8
159.11842	1.5
177.12840	20.0
195.13922	100.0
197.12083	0.9
218.98883	0.8
220.04312	0.9
221.11908	5.9
239.12859	14.4
253.09366	1.3
313.16675	57.6
313.20282	9.2
313.23874	1.4
320.28766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74946	2.0
55.01883	4.9
57.03453	3.8
58.00559	1.9
59.01382	72.7
71.01379	69.8
72.99271	2.5
73.02941	31.5
75.00861	3.1
83.01362	16.1
84.05924	2.2
85.02950	46.8
87.00857	3.1
89.02435	10.9
95.01364	9.2
97.02975	2.4
99.00877	14.0
101.02445	74.3
102.77837	2.4
111.00848	2.7
113.02440	36.9
119.03456	2.6
123.04583	2.6
128.29411	2.2
149.05620	2.8
151.03966	3.5
159.02975	10.5
161.04549	42.1
166.43207	2.1
169.12299	9.4
178.05101	2.6
179.03499	31.7
211.07735	3.6
225.14989	2.7
239.07205	9.1
241.05054	4.6
241.10851	4.7
247.63986	2.1
269.00983	5.5
269.04630	4.0
273.79861	2.3
290.43817	2.2
298.04855	15.1
313.00009	4.6
313.03452	9.3
313.07217	28.9
313.12857	19.2
313.16486	100.0
313.19983	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.13059	0.3
83.18749	0.4
84.75180	0.4
94.02475	0.5
96.98229	0.5
103.09486	0.4
104.07640	0.5
125.09708	1.0
127.11291	0.9
130.21922	0.5
155.10768	11.0
157.12335	0.5
168.30997	0.5
169.12367	0.6
171.10268	5.1
175.40138	0.5
251.20267	1.0
265.21658	0.5
277.21844	1.9
295.19519	1.7
295.22763	18.4
311.22385	0.8
313.20401	6.6
313.23859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.08155	0.8
67.04747	0.8
86.94803	0.8
111.17328	0.9
179.03984	0.9
182.47939	0.8
193.22743	1.0
251.23822	99.8
262.46368	1.3
264.14856	1.0
269.24945	1.8
271.85767	1.0
287.55942	1.0
288.30240	1.2
293.53137	0.9
295.22812	40.8
313.23883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90928	0.6
58.00583	1.7
58.63023	0.6
69.36689	0.6
70.59242	0.6
75.63316	0.7
97.06580	1.2
99.07554	1.0
99.08153	13.6
101.09720	1.1
103.65207	0.6
116.99629	0.7
123.57732	0.8
127.07626	3.1
127.71655	0.8
129.09227	24.6
130.90802	0.7
130.98944	0.7
141.12888	0.7
183.13902	37.3
195.13921	4.7
196.30441	0.7
277.21765	4.4
295.22781	11.1
313.23886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28391	0.5
56.58200	0.6
56.95887	0.6
58.00597	1.2
59.93677	0.5
69.28459	0.7
78.83300	0.6
84.81981	0.6
97.06587	1.0
99.08158	16.9
107.59857	0.7
125.07352	0.6
127.07658	2.4
129.09209	27.5
183.13907	53.7
195.13905	4.3
277.21674	4.3
295.22736	8.0
313.23871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19879	0.7
72.92552	0.7
93.55319	0.8
114.59554	0.8
125.09724	4.0
127.11301	8.4
127.28024	0.9
137.09724	1.0
155.10789	5.4
157.12402	1.0
161.00386	0.9
165.09196	4.1
171.10249	9.8
177.35608	0.8
183.10286	1.6
199.09772	4.3
201.11340	73.0
277.21771	8.1
295.22882	4.3
313.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51387	0.9
61.32039	0.9
64.42506	0.8
75.00866	79.2
88.02100	0.9
174.53064	0.9
182.22913	0.9
192.54216	1.0
226.19347	1.0
255.23303	41.0
265.25305	1.6
267.26941	100.0
269.28494	26.2
273.36139	1.0
313.23904	13.5
313.27612	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.38219	2.5
54.56427	2.5
59.01365	3.1
65.99013	2.7
67.13821	3.4
75.00856	23.4
117.74306	2.8
125.09740	3.2
134.63057	2.9
181.36722	2.9
251.23729	5.6
255.23228	6.2
271.20880	2.9
295.22812	100.0
313.14481	4.8
313.23740	17.1
313.27356	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.00389	1.2
51.31824	1.4
55.35844	1.2
57.03429	2.3
59.75472	1.4
74.02216	1.9
95.34002	1.9
104.60358	1.7
134.40062	1.7
155.14400	8.2
183.10307	15.7
250.91336	1.7
251.23799	3.9
295.22824	100.0
307.86627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15917	1.2
52.86721	1.2
62.60384	1.2
64.15048	1.2
64.95812	1.3
75.00867	100.0
75.01300	3.2
79.95743	1.5
91.02226	3.3
92.25235	1.3
96.87746	1.3
119.01092	1.3
130.26918	1.3
151.04024	1.6
227.56781	1.4
246.58624	1.9
255.23329	42.6
267.26974	2.8
298.59430	1.4
313.23871	21.8
313.27313	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	19-hydroxy-nonadecanoic acid
Peak:m/z	Relative Intensity
54.47473	0.6
57.46148	0.7
73.02952	0.8
86.61588	0.6
98.70217	0.7
126.17603	0.7
167.79031	0.8
178.09302	0.7
183.54997	0.8
251.28993	0.7
265.25278	2.9
283.26434	100.0
313.27515	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
54.33144	0.5
57.03452	5.3
66.75170	0.5
68.47565	0.6
69.03452	1.2
75.00861	1.2
87.21859	0.6
89.74871	0.6
91.02201	0.6
95.99115	0.5
99.63406	0.5
103.26671	0.5
104.95706	0.5
112.43966	0.5
194.36755	0.6
219.32220	0.7
251.23708	0.7
267.26965	75.1
295.26480	3.7
313.27533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2753
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
54.93252	0.3
57.81416	0.3
67.17094	0.3
75.00863	0.4
82.67360	0.3
87.81329	0.3
92.28941	0.3
95.43502	0.4
101.85063	0.3
104.68256	0.3
120.37413	0.3
127.11302	0.6
167.14371	0.8
183.17545	0.5
251.23787	0.6
253.25342	0.8
295.26492	1.9
313.27533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
73.61053	1.1
75.00863	2.0
86.32395	1.2
96.31474	1.3
137.97736	1.2
150.48238	1.2
197.97023	1.4
267.26938	82.2
274.45593	1.4
313.27518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.0
58.70774	1.8
58.95942	1.8
66.33382	2.0
71.01375	2.9
82.02979	3.2
99.00877	100.0
99.01520	4.1
99.08149	26.0
110.02483	4.5
122.02463	3.2
127.06841	2.5
127.07632	21.4
129.09224	58.0
140.03563	3.8
170.11964	2.8
212.12955	3.5
240.12401	2.5
257.41714	2.3
314.12555	74.0
320.49493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12927	3.0
55.34224	2.5
58.90145	2.3
59.33086	2.5
61.25439	2.6
64.16006	3.0
70.02966	26.3
83.76193	2.8
87.05666	4.4
96.00916	37.3
107.32230	3.0
112.77959	3.4
113.03545	32.1
114.01968	58.0
131.04637	17.4
138.09247	4.0
155.11911	30.1
156.10277	17.0
159.23857	3.8
165.16066	2.9
171.11353	5.0
181.09799	22.6
196.04092	30.1
199.10933	53.0
212.03569	10.8
226.05086	12.4
227.05963	3.8
240.02979	12.7
242.08220	4.2
255.05426	6.4
270.07742	20.0
288.08664	4.2
296.12344	5.7
307.58969	3.1
314.06961	9.9
314.13629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1613
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
50.81673	0.7
51.68022	0.6
53.08064	0.7
54.69875	0.7
59.38689	0.8
64.33504	0.7
71.31796	0.7
82.47469	0.8
84.88145	0.7
86.99039	0.8
87.48624	0.9
88.04034	100.0
91.68513	0.9
96.28312	1.0
97.02946	0.8
157.15430	1.1
163.11362	1.1
181.12378	11.2
207.10271	24.4
225.11342	27.5
234.06570	1.1
238.37202	1.0
250.35007	1.1
252.16057	2.0
296.15216	1.2
314.16156	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2129
Annotation	Bremazocine
Peak:m/z	Relative Intensity
67.04387	1.4
72.26977	1.4
76.41768	1.5
122.09755	56.0
134.09749	1.6
148.07703	4.1
160.07692	11.6
210.76065	2.0
249.77673	1.8
296.20135	100.0
314.21283	76.7
314.24683	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43663	0.6
58.00603	1.0
59.01391	0.6
59.73624	0.5
64.96387	0.5
65.34245	0.5
78.38005	0.6
80.59268	0.6
82.45195	0.7
89.12616	0.5
92.36797	0.7
125.09712	2.6
126.10074	2.8
127.11272	3.5
128.11601	2.4
140.11649	0.6
155.10785	1.6
156.11111	1.0
157.04913	0.7
165.09251	1.4
166.09526	1.4
170.32928	0.6
171.10260	5.9
172.10619	5.6
199.09715	1.4
200.10074	2.4
201.11336	29.6
202.11696	37.7
223.20638	1.2
253.21753	1.4
278.22134	9.3
296.23062	4.4
314.24225	100.0
330.16476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.3
62.47028	0.8
83.32432	0.7
99.08153	11.0
100.08479	7.1
103.87164	0.8
113.84808	0.8
120.17551	0.7
127.07652	1.8
129.09210	17.3
129.14726	0.8
130.09550	9.7
173.01494	0.9
183.13904	21.4
184.14240	31.8
190.91933	0.8
195.13950	1.1
196.14214	3.0
229.81433	0.8
278.22058	4.6
296.23053	10.6
314.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.43996	0.9
50.92098	0.9
54.32091	0.8
58.00589	1.3
58.02985	1.6
74.54404	1.0
83.80614	1.1
86.20612	1.1
93.23355	1.3
93.98021	1.0
99.08157	10.7
103.05032	1.1
110.86150	1.1
115.07636	1.3
121.31767	1.1
124.82668	1.2
129.09201	10.4
155.71338	1.1
166.15994	1.9
167.14406	2.1
169.08768	1.5
175.67424	1.2
184.17032	13.9
194.15501	19.8
195.13945	7.5
208.17099	4.2
212.16592	42.6
224.16568	6.3
226.18262	6.3
236.20486	1.3
242.17725	1.7
249.46100	1.2
254.21281	2.5
260.89175	1.4
264.23334	1.7
278.24963	5.1
282.24402	2.8
294.24414	19.6
296.26065	5.1
312.25470	32.3
314.07803	1.9
314.27042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.6
58.02973	7.0
68.37679	1.0
82.63344	1.0
103.03981	5.3
124.11288	2.4
125.09706	1.2
127.11228	1.5
141.12816	12.8
142.12354	20.2
152.10823	12.3
153.09230	2.5
156.13898	5.3
157.12299	2.3
166.12343	2.7
167.14368	1.7
169.12300	2.0
170.11867	55.6
171.13976	10.2
171.15196	1.3
182.11845	6.5
184.13446	15.3
200.12921	2.9
211.13426	6.2
228.16039	26.5
229.14383	2.0
259.73007	1.4
278.24649	4.6
282.24417	6.5
294.24344	11.8
296.25763	2.7
312.25473	45.3
314.07208	1.5
314.19785	2.3
314.27042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2704
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.21734	1.1
57.15303	1.0
58.00586	2.1
58.02972	7.5
90.45146	1.3
92.30379	1.3
102.69981	1.4
114.62726	1.3
120.38958	1.5
124.11329	2.3
125.96537	1.3
128.10785	2.2
129.09198	3.5
134.66335	1.4
141.12875	15.1
142.12366	23.3
150.65714	1.3
152.10832	15.6
153.09193	1.7
155.14395	1.9
156.10289	9.0
164.32903	1.7
170.10399	2.9
170.11861	62.8
170.13277	3.1
171.13910	13.3
172.09770	6.1
182.11896	3.4
188.99579	1.4
199.12244	2.4
200.12975	7.7
224.08194	1.3
264.23291	2.0
278.24985	6.1
282.24350	5.2
291.06818	1.5
294.24435	13.0
296.26007	2.7
312.25458	43.7
314.27042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82594	2.4
58.02956	3.2
92.23129	2.4
99.08154	15.2
129.09216	10.6
173.57146	3.1
184.17075	23.8
194.15517	36.8
194.99063	2.3
195.01015	2.7
195.13855	18.0
195.62714	2.3
196.17084	2.8
212.16589	84.9
224.16496	5.4
241.17014	3.2
278.24829	11.1
294.24356	22.6
296.23151	4.6
312.25497	59.0
314.24109	85.6
314.27106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44921	1.5
99.08150	17.8
106.13195	1.7
122.96894	1.6
127.07624	3.1
129.09232	24.8
148.66745	1.8
151.18813	1.7
163.44089	2.0
166.16046	3.0
184.14313	2.2
184.17090	21.1
194.15503	26.0
195.13921	4.4
212.16606	46.1
224.16661	14.5
242.17511	2.1
252.20552	9.4
253.85486	1.7
278.18451	3.9
278.24817	4.0
282.24353	2.5
294.24298	16.3
296.19547	15.2
296.22513	1.8
296.25964	11.1
298.22794	1.8
312.25488	22.0
314.20416	5.7
314.24011	21.0
314.27072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2704
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
57.25093	1.3
57.62554	1.3
58.02962	2.4
59.01379	25.3
60.01718	2.9
60.59967	1.3
61.62064	1.2
65.50848	1.3
69.86205	1.2
73.45875	1.3
92.22485	1.8
141.12852	19.3
142.12369	24.0
150.64195	1.5
152.10811	13.2
153.09193	2.8
158.27646	1.4
170.11870	48.4
171.13925	16.1
182.11844	8.6
199.83496	1.7
200.12959	7.1
238.10143	1.5
264.23386	2.7
282.24606	1.9
294.24380	11.1
296.26035	6.0
312.25504	23.4
314.24048	40.0
314.27094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.99931	0.7
56.47356	0.6
71.01380	1.2
75.00869	0.7
85.02956	0.9
90.10107	0.7
108.02173	62.0
109.02950	43.5
125.06039	0.9
151.04008	1.2
152.01147	66.5
153.01942	51.0
153.03224	1.0
153.24406	0.9
154.74689	0.9
180.62996	0.9
185.53044	0.8
245.43814	0.9
315.07260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.72180	0.7
69.37292	0.8
71.01369	1.5
74.38306	0.9
75.00835	1.3
85.02952	1.2
88.42811	0.9
100.53291	0.8
101.02441	1.9
108.02167	78.3
109.02174	1.4
109.02940	37.5
123.04477	1.7
133.02975	1.4
151.04041	1.8
151.05132	1.2
152.01147	85.1
153.01927	38.5
160.74509	1.0
163.03957	2.0
236.38084	1.0
279.63797	0.9
315.07248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
56.47363	0.4
56.59093	0.4
59.01386	12.8
59.58399	0.5
69.48991	0.4
71.01385	7.1
73.02943	1.1
79.16478	0.5
85.02960	3.2
89.02451	8.7
95.01379	0.9
97.04502	0.5
101.02454	6.7
108.02174	77.1
109.02950	33.0
113.02451	3.9
113.62861	0.5
115.78934	0.4
118.36576	0.5
119.03492	2.6
121.03008	0.5
123.04538	0.9
135.04524	10.4
151.04041	2.0
152.01157	91.5
153.01939	29.9
163.04071	1.2
165.01987	2.1
315.07355	100.0
315.10965	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
71.01363	0.8
75.00900	1.2
85.02929	2.5
88.13692	0.8
89.02435	1.0
96.58067	0.6
97.02952	0.9
108.02166	13.5
109.02950	45.8
115.04037	0.8
128.66565	0.7
141.17273	0.7
152.01164	12.9
153.01936	100.0
188.39148	0.8
194.22365	0.8
195.03061	1.8
255.05086	3.8
315.07291	41.4
315.10635	2.7
337.38126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47223	0.8
59.11583	0.8
71.01367	1.3
92.85760	0.8
108.02165	80.0
109.02949	40.0
112.86047	0.9
113.02454	1.1
122.21047	1.0
129.33685	1.2
147.68053	0.8
151.04042	1.6
152.01149	92.5
153.01935	32.6
257.72049	1.0
315.07254	100.0
333.80151	1.1
338.40176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.52494	0.7
61.73920	0.7
85.02953	1.0
92.22917	2.2
108.02167	73.0
109.02947	32.4
141.54729	1.0
151.04050	1.0
152.01152	76.8
153.01939	31.6
163.03957	1.2
231.28053	0.9
263.91486	1.0
315.07245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21052	0.8
53.60561	0.7
56.74997	0.7
59.01379	1.3
64.18883	0.9
71.01394	0.9
73.02927	1.2
87.71798	0.9
89.02423	1.2
89.86887	0.9
108.02167	77.4
109.02940	32.7
117.51211	0.9
135.04538	1.1
152.01149	89.5
153.01930	36.8
165.01904	2.1
315.07285	100.0
315.10474	3.4
319.91977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.46192	0.5
59.01371	1.5
70.41565	0.5
71.01388	1.4
71.03209	0.5
85.02925	2.1
108.02171	76.0
109.02946	39.9
113.02451	1.0
121.02955	1.0
123.04518	1.4
135.04446	0.7
146.14255	0.6
151.04024	2.2
152.01157	86.7
153.01938	30.3
153.05597	3.0
158.89362	0.6
163.04037	1.1
165.01797	1.0
181.82875	0.6
181.84596	0.6
189.47931	0.6
271.05267	4.8
272.14731	0.6
313.26788	0.6
315.04181	9.9
315.07291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66166	0.7
59.65315	0.8
62.30846	0.7
71.01366	1.4
79.93068	0.8
85.02973	1.0
88.03976	0.9
89.57767	0.8
95.11788	0.8
106.53068	1.0
108.02171	86.2
109.02948	36.2
109.89440	0.9
113.02457	1.1
123.04482	1.2
144.99142	1.1
152.01152	100.0
153.01926	31.0
153.03087	1.7
163.03976	2.1
165.01909	1.2
195.95552	0.9
208.24631	0.8
216.55975	0.9
219.18596	0.9
249.76671	0.9
259.11014	1.0
315.07269	97.2
335.03525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14777	1.1
73.85374	0.9
77.32192	1.2
90.76714	1.1
108.02168	2.4
109.02944	72.9
123.04524	2.8
134.52919	1.5
151.03999	1.0
152.01151	20.8
153.01932	100.0
153.05513	7.9
161.12790	1.1
271.05188	1.7
315.04346	5.7
315.07266	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48100	0.9
72.02865	0.9
88.88171	0.9
108.02168	42.5
109.02937	67.0
151.04001	1.2
151.99919	1.6
152.01149	52.3
153.01929	79.7
185.57092	0.9
194.53738	1.0
282.27820	1.0
315.07263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57808	0.9
65.44527	1.1
108.02166	9.2
108.19084	1.1
109.02941	76.6
152.01161	25.1
153.01935	100.0
315.07266	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0855
Annotation	SC-57666
Peak:m/z	Relative Intensity
50.67482	7.1
63.61763	8.2
89.02468	8.5
97.07587	8.0
100.92210	8.1
104.94791	7.9
108.02172	20.2
109.02946	17.1
131.10487	7.9
152.01083	18.1
315.08612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55672	2.6
56.04475	2.6
56.68386	2.5
59.01374	4.4
63.68092	2.5
71.05029	2.9
73.02923	3.8
78.01118	4.2
79.01893	17.0
97.02950	3.6
100.55707	2.8
110.00054	3.2
123.04530	14.5
137.02409	3.8
138.03218	24.6
139.04027	3.7
140.27132	3.0
141.07109	5.0
145.06593	34.7
150.03319	5.6
151.00383	31.4
153.05588	4.0
169.06567	5.7
171.04523	14.6
172.05289	7.2
173.06087	4.8
182.02179	4.0
183.08165	27.2
186.06868	4.3
201.09232	10.9
211.07668	12.6
215.07164	28.3
225.09224	20.1
227.07132	5.5
235.07616	15.8
238.06358	18.2
253.08713	37.6
255.06673	100.0
273.07938	4.8
297.07730	5.7
298.08524	7.3
303.17874	3.6
315.08893	25.0
315.22003	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	2,3,4,5-Tetramethoxyxanthone
Peak:m/z	Relative Intensity
59.01368	5.9
65.76303	1.2
73.02924	1.7
76.20788	1.4
79.01899	7.7
85.02945	7.5
87.00861	27.2
87.04474	1.3
99.04535	1.9
100.27482	1.4
108.02205	1.4
109.02934	3.1
110.12988	1.3
111.00854	3.0
115.04053	5.2
123.04440	1.7
129.36026	1.3
133.16875	1.2
136.01582	1.3
143.03500	1.8
145.06607	16.4
147.00912	1.6
147.04536	6.6
151.00366	19.6
151.11201	1.5
153.01974	5.3
153.05553	1.8
159.08165	1.4
167.03488	8.9
171.04529	13.9
172.05293	6.7
173.06075	17.7
175.91341	1.2
179.10660	2.0
183.08244	1.9
192.77315	1.4
197.11852	43.0
197.13562	2.6
200.04871	2.3
211.07787	2.2
215.07156	91.4
227.07175	3.0
255.06644	74.7
273.07739	3.1
297.07718	2.9
315.08801	100.0
315.14178	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	2,3,4,5-Tetramethoxyxanthone
Peak:m/z	Relative Intensity
59.01371	2.2
72.99313	1.7
80.96511	1.4
107.08665	1.1
113.02399	1.6
130.08688	1.6
136.01691	1.9
137.02425	6.6
153.05548	1.4
155.01599	1.1
155.41919	1.3
186.03253	1.7
197.02452	2.0
198.03185	7.7
199.04054	1.4
213.05566	5.3
214.02689	15.9
225.01920	5.0
227.03519	1.7
228.04408	1.4
229.05057	68.3
235.13406	1.7
239.03577	1.3
241.05119	5.5
242.02191	24.9
243.06552	6.2
243.17155	1.2
257.04620	25.1
257.07245	2.0
265.06366	1.4
270.01663	1.9
271.06110	2.4
272.06879	2.9
285.04077	48.0
300.06412	35.4
315.05487	4.3
315.08780	100.0
315.18228	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	7,4'-Dihydroxy-8,3'-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.08158	1.1
51.74336	1.0
59.01365	2.6
63.01780	1.4
71.01363	1.4
81.89242	1.3
88.34239	1.3
89.41333	1.2
94.24880	1.3
108.02168	8.2
109.02951	12.4
123.04509	12.1
136.01662	3.0
137.02435	2.7
152.01143	10.4
153.01956	11.9
153.05553	30.9
226.06346	1.9
241.05052	2.7
253.05063	2.9
254.05975	7.6
257.04568	9.6
267.06528	2.6
271.06210	8.2
282.05328	9.0
283.06189	19.6
285.04059	14.7
299.05603	49.6
299.08835	2.7
300.06421	73.1
315.08780	100.0
315.18314	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.1
72.00907	3.9
74.02465	16.6
84.04543	8.4
89.10637	0.6
98.02483	1.0
101.31200	0.7
107.83816	0.7
110.02468	5.8
111.00875	67.3
116.05051	28.1
124.04044	1.7
126.61930	0.7
128.03516	1.0
130.06651	0.8
142.05121	0.9
142.06622	7.1
153.02046	0.9
153.05568	0.9
159.09276	13.4
168.03024	1.6
171.37854	0.8
186.04144	2.2
186.05562	1.5
203.08278	100.0
227.11824	4.8
235.08693	1.2
271.10846	3.4
297.08887	0.8
315.09909	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.099
Annotation	Chlorochrymorin
Peak:m/z	Relative Intensity
58.12280	0.5
70.68784	0.6
72.00896	2.9
73.88454	0.6
74.02464	15.2
84.04533	7.4
98.02473	1.0
99.00891	1.3
109.02885	1.2
110.02467	5.6
111.00874	57.5
116.05044	23.0
123.04464	0.9
124.04015	2.6
128.03554	0.9
130.06647	0.8
142.05055	2.1
142.06604	7.0
152.01155	0.7
153.01958	0.7
153.05586	3.6
154.05025	0.8
159.09274	11.5
168.03030	3.5
186.04073	2.9
186.05614	2.1
203.08279	82.6
209.10863	0.7
227.11932	7.1
235.08656	0.9
253.09856	1.2
271.10913	4.6
276.57108	0.7
297.08871	1.3
297.14816	0.8
306.34586	0.6
315.09924	100.0
331.63602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.099
Annotation	Chlorochrymorin
Peak:m/z	Relative Intensity
52.84037	0.6
55.38125	0.7
71.05002	0.9
75.14693	0.7
80.55692	0.7
101.42791	0.9
102.94908	0.7
108.04540	10.0
115.04003	4.1
136.07678	18.0
153.05562	1.5
162.05612	10.1
197.11862	12.9
215.07185	1.3
238.07552	1.6
242.06973	3.0
243.11345	3.9
243.17084	0.9
250.69177	0.8
253.09877	7.3
256.08524	3.1
270.10403	1.1
271.10907	100.0
284.33389	0.9
315.09808	18.5
315.14447	3.9
315.17917	1.5
315.92969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00877	0.9
52.37298	1.1
59.01382	62.8
66.48466	1.0
71.01381	26.5
73.02946	1.1
85.02937	5.7
85.04456	1.0
89.02434	37.6
101.02432	19.5
105.69613	1.1
113.02453	14.4
119.03490	12.6
123.04486	4.5
135.04527	50.7
153.05557	7.7
172.43274	1.2
181.57684	1.3
315.07599	3.7
315.10876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11279	0.3
55.61547	0.3
66.95960	0.3
80.12997	0.4
107.22728	0.3
108.35306	0.4
123.04512	41.5
153.05569	100.0
217.53377	0.4
260.84277	0.4
315.10886	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72398	1.0
52.97424	1.2
59.01382	66.6
69.48466	1.3
71.01379	35.5
72.99294	1.2
73.02946	1.8
73.09177	1.1
74.99108	6.4
75.00871	23.1
77.12784	1.4
83.01418	2.3
83.49908	1.1
85.02948	8.7
85.38425	1.3
87.00830	1.3
89.02442	39.6
95.01377	2.2
96.73734	1.2
101.02444	23.7
105.23002	1.2
108.02193	2.3
109.02969	10.6
111.87196	1.2
112.74985	1.3
112.75927	1.1
113.02431	19.5
118.98106	1.3
119.03491	14.8
122.03688	5.0
123.04517	7.6
131.03473	1.3
135.00893	6.1
136.99171	2.0
137.02417	2.1
137.06117	6.4
138.03204	14.6
151.07741	1.3
152.01086	1.9
153.01945	22.4
153.05573	42.6
179.05583	2.7
180.04327	7.3
195.06575	11.1
271.05289	6.1
315.04129	9.2
315.07352	12.2
315.10889	100.0
315.14560	18.3
322.22495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1089
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01382	60.1
69.92242	1.5
70.63146	1.6
71.01377	22.3
85.02926	2.9
87.45132	1.9
89.02434	36.2
95.01373	2.8
98.75076	1.8
101.02444	18.1
108.02145	1.8
113.02432	12.6
116.44643	1.7
119.03501	13.7
131.21776	1.8
135.04520	44.8
153.05571	2.5
169.85252	1.8
184.07457	1.6
200.15154	1.8
210.99838	2.0
315.10889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21732	0.7
59.01381	100.0
71.01369	8.6
73.02931	3.4
73.46346	0.7
83.01368	0.9
83.44910	0.8
85.02945	7.0
93.03448	17.6
101.02440	6.5
113.02461	6.2
130.08696	0.8
134.19943	0.9
142.29134	0.8
152.01129	1.0
161.04555	17.6
211.88667	0.8
255.08868	1.9
270.71472	0.9
315.04016	1.4
315.07452	4.9
315.11090	1.1
316.42355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71721	1.0
51.24815	0.9
52.44273	1.1
52.54661	1.1
55.93147	0.9
56.35726	1.2
59.01380	1.4
69.03461	2.0
71.05018	1.7
75.97765	1.2
84.85987	1.2
85.02944	2.1
95.05010	2.3
97.06610	1.9
98.34602	1.3
108.04548	9.7
115.04028	10.5
116.07175	25.5
125.06123	10.5
127.07602	2.4
136.07664	18.1
153.05551	11.2
162.05605	7.1
170.65419	1.3
179.10710	2.0
180.99301	1.3
182.95164	1.7
197.11850	56.2
215.07124	5.1
224.12933	7.8
241.10559	1.7
242.07047	2.2
243.11197	1.7
248.28279	1.6
253.09874	7.7
255.06644	5.4
268.11938	85.8
271.10922	100.0
315.09726	19.2
315.14526	30.2
315.18054	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47268	0.6
59.01373	4.3
61.16454	0.8
80.52805	1.0
84.04668	0.9
87.66998	0.8
96.99460	0.9
111.08187	0.9
114.09212	1.9
116.05056	31.9
123.04525	1.3
128.07173	100.0
142.06628	1.8
142.08745	9.3
147.21194	0.9
153.05551	4.3
154.08714	14.2
157.07668	5.8
203.39059	0.9
232.97559	3.4
248.63689	1.1
253.13660	1.2
271.14542	98.8
277.39948	1.1
310.62625	1.0
315.07587	1.4
315.13556	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10897	0.8
56.83728	0.8
59.01385	1.0
64.16167	0.7
72.38979	0.8
73.57703	1.2
101.67830	0.9
137.09746	6.1
155.10783	100.0
178.62866	0.9
181.08688	1.2
199.09773	53.9
222.10799	0.9
227.12915	1.1
234.67036	1.0
241.74565	0.9
315.14474	9.7
315.17993	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1455
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
52.13462	0.9
59.01393	4.1
71.01391	1.3
72.99296	8.3
75.00871	93.6
84.12235	0.9
89.02462	1.9
94.98063	0.9
100.81272	0.8
103.04267	0.8
108.02185	8.3
108.04543	8.0
109.02946	22.3
109.04100	0.8
109.22468	0.8
114.92713	0.9
117.01958	1.9
151.05138	27.5
151.06285	1.5
152.01151	10.9
153.00647	1.5
153.01941	43.6
175.46896	0.9
186.60092	0.9
209.11931	3.3
229.08485	1.1
239.12936	1.7
279.11023	3.9
291.74179	0.9
315.07208	15.5
315.12003	6.5
315.14673	100.0
325.47037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81934	0.9
57.49096	0.9
59.01382	1.8
63.66154	0.9
69.03452	2.1
71.05026	6.1
75.88882	1.0
85.02973	1.5
89.52959	1.1
91.04028	1.0
93.71792	1.0
108.04538	9.0
115.03997	22.9
116.07156	5.8
125.09710	1.8
136.07704	13.2
139.11198	1.2
142.66016	1.2
147.03319	1.1
149.97932	1.0
153.05615	1.7
153.12874	1.3
162.05608	5.8
171.10240	2.3
179.10806	1.9
182.87975	1.1
188.84262	1.1
192.44229	1.0
197.11847	100.0
209.06981	1.0
209.12015	1.4
225.17625	1.2
235.13367	5.9
241.10907	2.5
242.07094	1.2
243.11295	1.5
243.17134	1.4
253.09799	2.6
253.14572	2.3
256.08862	1.4
268.11932	12.7
271.10916	78.6
284.64462	1.1
297.13544	1.2
315.09979	11.1
315.14511	49.5
315.18164	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36254	0.4
59.94091	0.5
60.80679	0.5
69.07680	0.5
72.99304	8.2
75.00868	93.2
76.32672	0.5
123.04497	0.6
135.04460	0.6
142.07414	0.6
153.01970	0.8
153.05583	2.4
155.61816	0.5
159.02953	0.6
161.62418	0.5
191.10818	2.1
209.11862	2.2
239.12929	1.2
280.13980	0.6
315.14542	100.0
327.91299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1453
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
57.51110	0.9
59.01397	1.0
72.99297	5.9
75.00865	96.3
76.03329	0.8
104.42407	1.0
153.05566	5.4
178.47090	0.9
209.11749	1.4
209.54353	0.9
262.49268	1.0
267.24728	1.0
271.05124	2.3
315.04346	7.6
315.14529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1453
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
59.01378	1.6
59.22419	0.3
68.89861	0.2
69.03455	2.3
71.01369	0.6
71.05012	1.6
89.02435	0.5
89.87656	0.3
91.04010	1.4
99.59817	0.3
108.02171	1.1
109.02936	1.6
123.04511	1.8
123.08153	0.4
125.09690	1.4
135.04526	0.4
151.11276	2.3
152.01132	0.4
153.01942	1.7
153.05563	3.9
153.12828	1.9
161.09711	1.6
179.10785	8.3
197.11845	100.0
203.08243	0.4
223.09715	1.2
241.08542	0.4
241.10854	9.1
271.96579	0.3
315.07245	1.4
315.14536	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30732	1.0
56.31898	1.0
61.42258	1.0
72.99306	8.8
75.00868	91.0
129.30988	1.1
153.04358	1.0
153.05568	4.3
158.94502	1.1
182.16562	1.4
209.11890	1.7
216.95663	1.3
223.84299	1.2
271.05231	1.4
315.04196	2.1
315.14560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1606
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.90301	1.8
53.84200	1.5
62.47229	1.7
78.95897	3.3
88.54351	1.8
107.05069	2.0
121.02888	2.1
122.03709	7.5
124.16343	1.8
135.04507	36.1
136.05275	2.7
148.05289	17.3
150.03217	21.2
152.99609	3.4
153.05582	2.1
162.03226	3.8
163.03990	16.5
164.04793	10.3
174.03207	8.4
175.03981	3.0
176.04770	4.0
178.02689	27.2
190.02725	3.6
192.04277	4.0
218.09459	12.0
223.00380	2.5
228.07971	2.5
244.14653	3.1
259.17059	4.0
272.14160	2.6
287.16495	25.9
297.14981	2.2
315.05035	4.7
315.12396	4.5
315.16080	100.0
315.25378	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1607
Annotation	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Peak:m/z	Relative Intensity
62.61827	1.2
72.85884	1.1
77.93089	1.4
78.01240	1.2
88.91105	1.2
122.03700	10.7
135.04526	13.6
136.05321	2.0
148.05275	3.1
150.03239	22.8
163.04010	31.9
164.04778	6.3
174.03218	1.6
175.07631	1.4
176.04820	7.6
178.02681	17.6
203.07169	2.8
204.33566	1.5
218.09550	19.3
244.14769	6.5
258.16251	8.9
259.17096	3.2
272.14120	12.2
287.16537	100.0
297.14981	7.1
315.16092	88.3
315.19443	5.3
315.24316	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
50.38227	0.7
53.52645	0.7
56.81155	0.7
83.05029	4.9
85.97536	0.8
92.23134	1.0
97.06583	4.0
109.06563	1.2
111.08150	81.6
113.09800	1.1
125.09715	44.7
128.07191	1.2
129.09218	1.4
141.09187	0.9
145.08722	5.5
153.05501	0.9
159.10246	27.6
169.08636	1.5
173.08174	25.1
187.09767	17.6
235.20708	1.5
253.18181	5.3
279.19617	1.3
297.17114	5.7
297.20505	1.7
315.18192	100.0
315.21445	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30374	2.1
57.03448	14.6
59.01384	36.4
63.06712	2.2
71.01377	62.5
73.02936	15.6
83.01402	5.8
85.02959	25.3
88.39600	2.4
89.02428	11.6
96.12971	2.4
99.00877	4.3
99.08177	5.7
101.02444	26.5
101.21798	2.7
113.02454	20.1
113.09661	5.6
116.92806	3.7
138.28317	2.8
139.11302	17.3
146.56262	2.5
157.08688	47.7
161.04549	14.1
169.12340	3.6
171.10231	13.2
197.11888	18.3
199.11781	2.8
199.13373	25.2
215.12900	2.8
235.16862	2.6
235.90508	2.6
239.16542	45.0
251.16496	30.3
297.16922	4.6
315.05267	2.8
315.18158	77.1
315.21820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38697	1.6
55.01888	2.6
55.37392	1.6
57.03448	2.1
59.01102	3.2
59.01384	69.6
60.61927	1.6
69.95628	1.8
71.01379	100.0
73.02948	29.5
74.56044	1.7
75.00860	2.3
75.49234	1.7
79.27647	2.0
83.01384	11.1
85.02950	49.4
87.00858	2.0
89.02440	28.0
95.01364	11.4
99.00896	11.8
101.02443	59.7
108.04524	2.6
113.02462	41.7
119.03501	3.6
125.09701	3.0
127.93480	1.9
129.20137	1.8
130.77913	1.7
136.07687	4.0
143.03523	2.0
147.62976	1.7
159.02965	7.1
161.04562	42.6
183.13925	10.1
226.07442	3.1
227.12860	3.1
241.09921	28.1
271.10944	35.4
275.30682	2.2
315.10068	6.1
315.13184	2.2
315.18234	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78202	0.5
59.01366	0.8
70.95670	0.5
72.96095	0.6
75.00857	1.0
78.93849	0.7
83.80758	0.6
90.10992	0.7
97.06583	3.1
99.08159	4.2
118.57605	0.6
123.04503	1.5
124.15681	0.6
125.02312	0.6
125.09710	61.9
127.07653	2.8
143.10776	1.1
145.08694	31.7
152.01012	0.8
153.05569	3.4
169.08679	4.0
169.92311	0.7
187.09764	100.0
232.97636	1.3
257.17508	0.8
277.15021	0.7
315.18060	32.1
315.27380	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1968
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
55.65195	3.0
59.01389	9.9
69.94682	2.7
71.05016	77.9
88.46356	2.9
97.06580	27.1
99.69305	2.9
104.33321	3.0
123.08137	16.0
129.94249	2.8
133.10240	6.1
143.62567	3.0
149.09700	5.6
187.14970	5.6
259.17047	4.3
271.20642	35.1
315.19720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.197
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.31569	1.0
60.24321	1.0
60.45261	1.4
65.98743	1.0
69.42384	1.0
79.05531	1.7
105.07061	1.0
105.19110	1.0
108.87678	1.0
119.08629	9.4
131.08694	2.6
137.09734	1.6
250.86757	1.0
253.19624	4.2
271.20779	9.6
315.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
61.33913	0.7
109.91138	0.9
159.23264	0.7
168.78146	0.7
172.76569	0.8
202.44006	0.8
255.17546	1.3
271.20639	6.0
299.77780	0.8
315.19720	100.0
315.24930	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.14437	1.5
50.58685	1.5
55.46198	1.3
59.01392	2.1
67.26664	1.5
95.57343	1.5
121.06580	2.2
121.43947	2.0
131.08626	3.7
137.09695	10.0
174.56964	1.6
180.86110	1.5
253.19624	10.9
271.20709	4.0
277.38589	2.1
315.19669	100.0
315.25168	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
56.84334	1.4
57.03449	1.7
57.77452	1.8
79.05537	3.9
79.95773	2.2
83.05021	2.8
86.62894	1.8
98.74213	2.0
119.08668	16.5
137.09708	4.0
147.11824	2.2
175.07640	2.3
187.14948	12.6
253.19629	48.3
271.20679	46.9
299.49664	2.4
315.16141	11.9
315.19684	100.0
315.25082	24.4
319.24780	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10892	0.4
53.18464	0.5
54.50109	0.5
57.03450	0.8
59.01379	3.6
59.62748	0.5
60.09072	0.6
61.60226	0.5
70.65321	0.6
71.01381	1.4
75.88106	0.6
83.05060	0.9
85.02980	0.6
85.06567	4.4
90.35126	0.6
92.23109	0.6
125.09679	4.5
127.11266	2.4
127.95830	0.6
153.05597	3.0
155.14395	0.9
167.14413	2.6
171.10275	7.7
183.13893	9.2
187.09734	0.9
193.12358	2.9
199.13457	8.0
209.11731	1.2
210.99165	0.6
211.13416	54.7
224.44293	0.7
229.14435	26.0
279.19629	1.1
315.21823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85174	0.3
53.03802	0.3
55.64640	0.4
56.75748	0.4
59.01121	0.5
59.01376	3.2
64.96851	0.4
65.40371	0.4
66.93890	0.4
71.95609	0.4
78.95929	0.5
84.32993	0.4
85.06587	0.8
91.21429	0.5
96.96899	0.5
115.07650	1.6
121.02765	0.5
152.99539	1.5
183.17532	0.8
185.11841	0.4
224.61325	0.5
227.16548	1.0
257.17542	0.6
271.20587	0.5
279.23288	1.8
288.33154	0.4
295.22559	0.6
297.24390	14.5
313.23880	8.4
315.04947	0.7
315.19498	2.6
315.25406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2541
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
50.55633	0.8
57.56705	0.9
72.99301	29.1
74.10259	1.0
74.22385	0.9
75.00864	20.9
79.06691	0.9
99.66019	1.2
103.08395	1.1
120.96995	0.9
174.41872	1.1
175.61305	1.2
184.72618	1.1
190.51665	1.1
239.23808	2.1
276.87482	1.1
315.25421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	74.2
70.00307	1.2
78.95911	2.3
94.40075	1.2
96.95975	1.4
117.34202	1.2
118.44666	1.2
123.04547	1.9
152.99603	2.7
153.05623	4.8
223.13171	1.9
255.23354	5.0
315.19876	18.8
315.25439	100.0
329.91483	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87229	0.5
59.01385	0.8
65.91048	0.5
78.95907	1.0
110.45039	0.7
117.74934	0.6
127.11329	2.3
141.12863	1.3
143.10750	1.1
152.99551	3.5
158.24664	0.5
170.05269	0.6
171.10286	3.0
171.13943	0.8
201.11383	0.9
241.01117	0.6
279.23248	2.5
297.24380	11.4
313.23865	10.6
315.05066	4.0
315.25436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92514	0.4
53.67429	0.4
54.43846	0.4
56.60259	0.5
56.90026	0.4
59.01380	2.7
64.44282	0.4
78.95879	0.6
80.63392	0.5
91.51421	0.4
93.49207	0.5
99.61795	0.5
106.44485	0.6
113.09723	2.9
117.30223	0.5
130.00172	0.5
143.10782	0.5
152.99583	2.9
153.05586	0.9
155.14404	0.7
199.13356	2.8
229.14435	1.9
241.01196	0.9
279.23331	2.8
295.22849	2.2
297.24350	14.9
313.23877	12.4
315.04794	2.5
315.25436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
53.62379	0.4
54.24281	0.4
57.24405	0.4
71.19085	0.5
71.24881	0.6
90.04283	0.5
92.22514	0.8
92.60483	0.5
105.12041	0.4
127.11258	1.3
138.02960	0.5
141.12848	2.7
155.10725	0.7
171.10251	0.7
171.13844	0.9
190.44209	0.6
201.11365	1.0
229.77420	0.6
279.23297	2.3
293.22363	0.6
297.24396	12.5
313.23883	6.7
315.25424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2542
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
70.34983	0.7
75.75365	0.6
102.85041	0.6
125.24617	0.7
127.11269	1.5
141.12839	2.8
143.10756	0.9
147.46178	0.7
155.10770	0.7
171.10281	3.8
171.13849	0.9
193.29871	0.6
193.61661	0.6
201.11340	0.9
279.23285	2.7
297.24371	12.5
313.23877	12.4
315.25427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31287	0.3
57.72971	0.3
57.87801	0.3
59.91187	0.3
59.94785	0.3
75.12776	0.3
92.82178	0.4
109.23766	0.3
123.00891	0.4
124.01644	4.6
138.94539	0.3
153.00641	1.7
154.01459	100.0
159.58746	0.3
242.39249	0.3
316.06757	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97887	0.6
57.17134	0.6
58.14672	0.7
65.13205	0.6
65.36548	0.6
67.06995	0.7
71.01382	1.2
73.02925	0.9
74.92704	0.8
75.00876	6.5
85.02953	0.9
100.28228	0.7
108.01432	1.4
108.02164	41.0
109.02371	26.5
110.03267	16.2
152.01151	41.5
153.01476	48.1
154.02271	18.0
164.04375	0.9
188.44734	0.8
247.73520	0.7
316.07587	100.0
316.14771	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.112
Annotation	Skf-83959
Peak:m/z	Relative Intensity
51.60141	0.8
55.07084	0.9
59.01379	57.6
60.01705	9.5
64.38049	0.9
71.01376	21.6
72.01719	4.9
80.78292	1.0
83.01368	1.1
85.02937	5.2
89.02429	28.0
90.02756	9.0
101.02440	17.0
102.02789	7.0
109.58050	1.1
113.02396	9.3
114.02747	6.1
119.03491	9.7
120.03824	2.5
122.63113	1.1
135.04506	20.5
136.04836	28.9
154.05898	1.5
170.54469	1.1
187.86891	1.4
194.25983	1.0
210.20265	1.2
300.89661	1.2
316.11197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1194
Annotation	3-O-demethyltazettine
Peak:m/z	Relative Intensity
50.52090	0.8
52.49213	0.8
54.06000	0.9
55.01884	1.3
59.01379	9.8
72.99270	1.2
73.02924	1.3
74.04536	1.1
85.02946	36.2
87.00864	18.4
87.04505	2.6
99.04533	5.3
111.79802	1.1
115.04002	5.5
123.04535	1.6
125.02465	5.3
137.04802	2.3
143.03470	6.0
151.57335	1.1
165.04297	22.5
172.07675	4.3
185.04645	1.9
188.10858	2.1
198.09274	9.2
200.07158	2.0
215.07262	1.7
216.07423	2.4
216.10307	50.5
223.81911	1.2
239.07266	1.7
254.11873	1.8
256.07190	2.2
256.09775	58.5
270.11453	1.4
298.10999	9.7
316.09256	4.3
316.11954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27827	1.8
63.20703	1.7
72.41615	1.8
125.09705	3.8
138.31148	2.6
168.23961	2.1
193.52524	2.1
211.32951	2.1
218.11856	9.1
225.14972	100.0
236.12952	8.1
240.47437	2.1
254.14001	9.5
264.34961	2.4
269.13956	37.2
298.14432	3.9
316.13983	21.4
316.22021	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27425	1.3
59.01382	100.0
69.53436	1.2
71.45673	1.3
78.95911	3.1
79.43967	1.2
80.67242	1.3
80.96509	13.6
90.00146	1.6
94.98088	5.3
96.96970	11.3
103.00368	40.1
103.04014	3.1
123.58302	1.5
133.05067	52.9
134.97600	2.9
135.24982	1.6
148.99184	1.8
152.98663	2.2
159.94145	1.6
164.98689	3.0
175.06136	12.3
180.03947	1.7
181.99252	1.4
182.08105	1.5
219.05170	5.5
225.00769	9.5
270.40802	1.7
273.65692	1.5
317.05518	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0305
Annotation	asperthecin
Peak:m/z	Relative Intensity
52.50111	0.4
56.89614	0.4
78.46564	0.4
79.88467	0.4
83.17397	0.4
85.02914	0.5
87.65019	0.6
96.55019	0.5
119.92496	0.5
133.58521	0.5
191.10399	0.6
211.03937	3.1
227.03497	3.2
243.02972	1.1
255.02972	5.9
271.02368	1.1
273.03897	3.5
281.04550	0.7
299.01987	100.0
304.55173	0.6
317.03052	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72891	0.6
53.49257	0.8
56.80955	0.7
58.10378	0.7
58.62500	0.8
59.01360	1.3
59.63666	0.7
59.88825	0.8
72.99300	19.3
81.31901	0.9
81.74728	0.8
104.02952	0.9
104.95515	0.8
112.18153	0.9
120.99624	1.9
121.02937	4.5
123.04491	1.4
127.02168	0.9
133.02878	0.9
135.04543	1.0
139.91800	0.9
151.03964	7.1
155.01732	45.9
167.01747	11.0
179.03418	1.6
197.04536	1.8
208.25160	0.8
211.00722	20.1
229.01768	100.0
243.43752	0.9
260.65271	1.1
317.03384	48.5
317.06610	2.0
317.12405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10408	0.5
59.01363	0.8
59.17926	0.6
71.01376	3.0
71.79858	0.6
72.17540	0.7
73.02959	0.8
74.71626	0.6
78.02045	0.7
78.98568	2.3
79.95746	2.5
80.96510	21.5
84.35722	0.5
85.02936	1.1
87.00870	1.0
94.98068	5.7
96.96972	1.0
101.02438	1.0
104.02164	0.6
107.49928	0.6
110.02454	0.7
122.97588	0.9
125.02431	1.3
134.97598	1.4
148.99139	3.7
152.98581	4.5
162.62004	0.6
164.98622	9.6
170.19669	0.7
177.99052	0.7
181.21751	0.7
190.28583	0.6
197.75226	0.6
206.99673	2.5
225.00764	17.8
294.62848	0.6
317.05493	100.0
322.14767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96381	0.6
51.69317	0.5
59.01380	1.5
61.03498	0.5
71.01383	2.8
73.02951	0.9
78.98595	1.2
79.95736	1.3
80.24418	0.6
80.96515	24.2
83.38908	0.6
85.02925	1.0
87.00845	1.1
94.34069	0.5
94.98093	7.6
101.02453	2.6
106.98025	0.8
107.72395	0.6
121.51537	0.6
122.97589	0.9
125.02450	2.5
129.01930	0.9
134.97595	2.9
139.91698	0.6
140.01170	0.7
140.90346	0.6
148.99142	3.5
152.98633	5.3
164.90688	0.6
164.98634	12.1
180.85794	0.5
206.99695	2.7
219.05273	0.8
225.00781	21.7
228.04210	0.7
242.04607	0.6
316.02066	0.6
317.05496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36135	0.5
71.01369	2.7
73.02960	0.6
78.98605	1.2
79.95732	1.5
80.96512	24.1
88.36676	0.6
94.98080	5.5
95.21216	0.5
101.02470	0.8
102.49046	0.6
104.06859	0.6
104.86777	0.6
122.97585	0.7
125.02457	1.5
134.97598	2.8
148.99126	2.8
152.98633	4.6
164.98619	8.8
179.94807	0.7
194.33484	0.7
206.99777	2.4
225.00748	19.2
284.42084	0.7
317.05493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0668
Annotation	Pibocin A
Peak:m/z	Relative Intensity
50.66342	0.6
54.35171	0.5
59.01384	0.8
64.75671	0.6
64.76035	0.5
85.02931	0.6
91.35477	0.6
101.02442	1.2
161.02464	0.8
171.04549	2.8
175.03911	1.0
187.03996	3.4
190.06419	0.8
191.03534	0.9
197.11858	7.4
199.04004	0.9
201.05534	0.8
203.03539	1.3
206.05852	1.1
211.13399	0.7
214.02715	1.3
215.03540	7.7
217.05077	3.0
225.11397	1.0
229.05023	4.2
230.05899	1.6
231.02998	7.6
241.05042	2.7
243.02989	11.8
247.02527	15.7
255.06464	0.8
257.04584	17.2
258.05334	63.8
259.02533	6.2
261.04041	19.0
266.61014	0.7
269.04428	1.2
273.04041	1.4
275.02057	4.1
278.19791	0.7
302.04401	3.6
317.06686	100.0
317.16226	6.3
317.19449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46786	0.6
62.30814	0.6
68.59318	0.6
69.04707	0.6
142.76175	0.8
148.91312	0.8
160.49924	0.7
171.04514	2.8
175.03987	0.9
182.03801	8.3
185.02295	0.8
193.58177	0.8
199.04019	14.6
217.05130	6.8
225.02019	1.4
226.02734	38.8
241.05096	13.5
243.03003	4.4
251.15028	1.0
258.05350	100.0
273.07709	27.9
284.03372	6.2
299.05563	10.4
317.06763	3.7
321.15942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
71.01380	0.7
80.96507	0.7
84.18798	0.5
88.37623	0.4
89.02443	0.6
90.85457	0.6
101.02449	0.8
120.99689	0.8
125.02484	0.7
139.00375	3.4
140.01155	62.9
153.01794	0.7
154.02638	0.7
155.03497	100.0
223.61574	0.5
225.00740	1.1
274.24188	0.5
279.10806	1.1
317.05435	6.9
317.08817	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1031
Annotation	5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
Peak:m/z	Relative Intensity
59.01381	1.2
64.72919	0.9
69.71213	1.0
71.05004	1.4
81.03455	2.0
83.01395	6.1
85.02944	44.2
87.00861	1.3
95.05006	5.3
97.02914	1.2
99.04514	6.6
100.35181	0.9
121.06594	1.2
123.04517	26.1
125.02457	7.9
131.05000	1.5
137.02393	1.2
138.03258	9.0
139.03995	1.5
141.05569	5.3
148.54749	1.0
151.00391	1.7
164.04846	1.3
165.01895	2.6
165.05600	11.5
166.02698	14.3
167.03497	4.3
173.06087	15.3
175.07646	1.7
185.09694	12.5
195.92624	1.0
203.10791	5.3
209.04543	10.6
213.09346	7.8
217.08755	8.1
222.96442	1.0
243.06670	1.5
243.45215	1.3
255.10286	33.4
257.08218	100.0
299.09503	8.1
299.12332	1.1
300.09912	8.9
317.10345	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1032
Annotation	Kushecarpin A
Peak:m/z	Relative Intensity
59.01381	12.3
63.73811	2.0
68.86789	1.9
71.05020	2.0
74.90197	2.0
80.96499	3.1
85.02947	91.0
87.00859	31.6
88.61711	2.1
99.00881	9.4
99.04514	4.3
111.00848	7.8
115.04021	7.0
123.04509	2.4
125.02407	4.5
138.03200	8.1
138.73112	2.6
143.03465	3.3
148.81319	2.5
149.06093	7.9
163.11325	2.7
166.02699	10.0
167.03479	11.4
171.85442	2.1
173.06032	14.4
174.25516	1.8
175.07626	7.9
181.12335	9.1
199.13423	4.8
207.10315	4.7
217.08714	66.7
225.11346	36.3
243.12318	23.6
257.08194	64.7
287.19199	2.4
299.09250	4.0
317.06894	3.9
317.10324	100.0
317.16046	38.2
317.19556	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1033
Annotation	Evofolin B
Peak:m/z	Relative Intensity
54.04118	1.0
58.24860	1.0
59.01376	1.6
63.43121	1.4
70.99071	1.1
78.51389	1.2
82.26955	1.4
82.69621	1.2
108.02164	35.1
109.02938	5.2
111.00828	2.1
123.00017	2.3
123.00876	51.8
123.04524	37.5
124.01653	28.6
136.01660	26.2
147.00887	1.6
148.01659	3.1
150.03290	4.4
153.04010	1.3
153.05576	2.7
162.03239	8.0
163.04021	8.9
227.08241	2.5
257.04599	9.7
272.06912	33.3
287.09268	100.0
299.10468	1.4
317.10333	65.9
317.19727	7.8
335.58551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43657	0.5
63.82285	0.5
83.10133	0.5
85.60683	0.6
115.08607	0.6
122.06075	4.9
124.07664	4.9
130.02994	0.7
136.07693	11.3
149.04828	1.5
150.05562	4.1
158.06139	0.6
164.03534	2.3
200.10811	0.8
205.59094	0.7
212.10907	1.0
225.06790	0.8
227.08342	9.9
240.09103	8.1
243.11473	8.2
255.11411	50.1
273.12476	100.0
292.26608	0.7
299.10425	0.8
317.11456	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
100.94514	2.5
106.06631	73.7
116.05074	2.4
123.88987	2.5
128.30872	2.4
138.05630	5.8
140.07188	13.7
140.51230	2.2
143.79971	2.8
150.05640	9.7
152.03546	14.5
166.05113	10.4
167.05884	84.4
186.12917	13.7
201.08043	16.9
215.09535	5.3
226.07518	4.1
230.11879	27.7
240.09135	5.3
255.11447	35.6
273.12473	40.8
274.11005	4.4
285.08905	3.8
299.10596	8.6
317.11429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45127	1.2
59.01383	3.1
63.41022	1.5
66.07624	1.4
67.90410	1.4
85.02940	1.7
91.04015	2.0
99.00861	41.1
108.63241	2.2
124.41460	1.8
125.09683	4.3
134.03659	3.0
163.11267	8.1
164.50264	1.6
166.02718	1.7
181.12332	26.4
190.64717	2.2
193.05087	3.9
197.11871	4.2
199.13387	23.7
207.10284	36.5
209.56314	1.7
225.11324	96.1
242.02315	10.6
243.12378	62.5
257.04575	2.7
304.22153	1.9
317.06903	7.7
317.10638	3.0
317.16083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.4
59.01378	6.7
71.05024	2.8
92.24055	1.2
95.86676	1.4
96.74569	1.3
97.02975	1.7
99.00878	23.4
101.57617	1.4
105.35606	1.5
125.09696	9.4
137.23366	1.4
155.14545	1.4
163.11279	16.6
181.12346	38.9
197.11827	2.9
199.13426	48.9
207.10274	46.9
225.11337	88.7
229.01566	1.3
243.12357	54.4
250.08971	1.4
317.16086	100.0
317.19388	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56914	0.7
54.40522	0.8
59.01359	1.7
70.58232	0.8
71.41439	0.9
74.56610	0.9
74.68471	0.8
91.03957	1.2
99.00875	42.3
99.84850	1.0
125.09754	7.9
130.59380	0.9
131.22336	0.9
155.14438	1.7
162.54181	1.0
163.11302	8.6
167.51237	1.1
181.12340	25.5
199.13387	23.9
207.10297	34.5
225.11331	94.8
237.07680	4.5
243.12373	64.1
260.88037	1.1
317.16086	100.0
317.19403	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.197
Annotation	oscr#16
Peak:m/z	Relative Intensity
57.70277	0.5
62.01270	0.6
75.00842	3.5
97.06590	0.9
111.08124	3.2
126.15365	0.5
141.09221	5.9
143.07124	2.5
149.13499	0.6
155.10735	4.0
157.08688	7.8
159.09305	0.8
187.06384	4.2
187.08771	1.3
219.17575	9.1
229.09930	0.7
237.18663	4.7
241.14240	0.7
245.15598	0.7
263.16507	21.6
273.09351	1.2
273.12436	11.0
273.20770	0.9
281.17584	20.9
287.15002	0.9
299.15366	1.2
299.18661	20.0
317.11542	5.3
317.16165	8.3
317.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1973
Annotation	oscr#16
Peak:m/z	Relative Intensity
54.31031	0.4
57.03443	0.5
67.93227	0.4
69.13763	0.4
71.01376	0.9
75.51317	0.4
83.32422	0.4
104.85458	0.5
107.65737	0.4
123.35014	0.4
141.10739	0.5
174.92493	0.5
181.16034	0.6
225.18642	0.9
237.18600	2.9
241.18121	72.3
251.16592	0.5
253.18109	52.8
255.19635	6.3
269.17648	5.2
281.17682	3.0
299.18683	7.5
317.19730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.56762	0.2
51.07045	0.2
54.28034	0.2
58.12886	0.3
58.55333	0.2
61.66248	0.2
99.80236	0.3
105.33855	0.3
115.44524	0.3
122.43266	0.3
128.14259	0.3
204.07854	0.4
212.08392	0.4
245.15518	0.6
273.15024	2.3
317.13931	4.4
317.21252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.38731	0.3
66.76205	0.3
99.60580	0.3
104.54530	0.3
120.55083	0.4
228.56596	0.4
252.76570	0.3
299.20218	2.1
317.21243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	8(S)-HEPE
Peak:m/z	Relative Intensity
55.75965	0.3
60.99306	0.8
65.56422	0.4
97.43707	0.4
116.16809	0.4
163.67535	0.4
213.01958	0.4
242.79509	0.5
265.67627	0.5
271.20694	7.5
299.20200	13.6
317.21234	100.0
336.12045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2124
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.06569	0.6
57.09805	0.6
59.01382	1.1
60.99309	0.8
68.16702	0.5
70.04054	0.6
71.37241	0.6
72.08218	0.7
73.35410	0.6
75.92200	0.6
79.00294	0.6
92.23042	1.1
98.32737	0.7
98.94741	0.7
113.06062	1.5
131.19426	0.8
135.08174	3.8
142.08142	0.6
203.14467	1.6
222.64241	0.7
314.36249	0.8
317.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2487
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
53.67860	0.7
70.59929	0.8
77.71977	0.8
90.15867	0.9
149.73865	0.9
155.10721	1.0
182.10094	1.0
270.30133	0.9
317.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07981	1.2
59.01386	2.2
76.44483	1.5
80.54559	1.4
81.03452	3.0
83.05036	6.8
93.03462	2.5
93.12495	1.6
99.00883	1.3
109.02995	1.4
111.04511	55.3
118.01457	7.9
127.04012	100.0
129.99008	1.5
137.02460	6.6
155.03497	61.3
199.02509	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1713
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
59.50438	0.5
66.80142	0.5
69.96227	0.5
72.00890	3.9
84.38391	0.6
91.05516	7.4
98.02420	1.0
109.90253	0.6
121.36067	0.7
127.11248	0.9
147.04529	20.1
151.02467	0.6
152.10808	39.3
153.09245	1.2
164.05128	0.7
164.07179	66.6
170.06116	100.0
170.11870	2.6
203.14333	0.8
206.28438	0.6
274.18277	1.1
318.11197	2.4
318.17136	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26558	0.5
59.01367	4.2
60.00512	0.4
61.24791	0.5
68.44388	0.4
71.01382	0.6
81.04604	0.5
83.66656	0.5
84.93858	1.2
99.92561	6.2
100.19877	0.5
100.93353	4.1
103.00368	9.8
106.25880	0.5
109.52989	0.5
114.94919	2.6
115.92065	2.4
116.92848	100.0
119.03490	0.5
127.12267	0.5
130.55721	0.5
140.92879	0.7
158.93904	19.0
170.97522	1.2
172.75516	0.5
181.03857	0.5
184.91859	1.3
184.95486	0.8
202.92921	2.8
214.96561	6.2
261.87207	0.5
280.24344	0.5
318.97607	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
84.93864	0.9
88.89351	0.4
96.24608	0.4
99.92580	7.0
100.05987	0.4
100.93374	4.4
103.00368	8.2
107.98151	0.5
109.16103	0.4
114.94945	3.6
115.92059	2.7
116.92854	100.0
123.87597	0.5
156.92397	0.7
158.93903	19.2
170.97560	2.0
184.91870	2.0
202.92920	1.7
209.54225	0.5
214.96570	6.6
295.55338	0.5
318.97665	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0462
Annotation	1,3,6,8-Tetrahydroxy-2,7-dimethoxyxanthone
Peak:m/z	Relative Intensity
59.01385	0.8
60.12654	0.6
91.78802	0.7
130.27470	0.7
140.54836	0.7
144.89218	0.7
206.10555	0.7
233.00926	1.5
243.02966	0.8
245.00906	1.1
260.03268	0.9
261.00443	2.6
288.96616	1.1
288.99930	58.9
304.02274	100.0
319.04617	77.6
319.12762	1.3
343.91394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57981	1.3
71.24681	1.4
82.02968	1.7
83.05038	6.8
93.03445	28.2
110.02512	2.3
111.04507	19.3
115.55290	1.6
117.03468	7.8
119.05025	34.9
122.06103	2.6
137.02446	12.8
145.02943	87.7
152.03528	46.6
155.03464	11.9
163.04008	36.4
231.04109	2.0
232.04865	13.9
247.07236	100.0
259.07278	9.0
275.10339	2.5
319.09250	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57981	1.3
71.24681	1.4
82.02968	1.7
83.05038	6.8
93.03445	28.2
110.02512	2.3
111.04507	19.3
115.55290	1.6
117.03468	7.8
119.05025	34.9
122.06103	2.6
137.02446	12.8
145.02943	87.7
152.03528	46.6
155.03464	11.9
163.04008	36.4
231.04109	2.0
232.04865	13.9
247.07236	100.0
259.07278	9.0
275.10339	2.5
319.09250	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01378	3.3
59.29435	0.7
66.94469	0.8
73.02947	1.9
81.03448	0.9
83.05020	5.2
93.03454	28.3
97.41599	0.9
105.57214	1.0
109.04549	0.9
110.63542	0.9
111.04519	9.7
117.03487	1.1
119.05020	92.7
121.79200	0.9
137.02443	31.7
145.02954	25.1
155.03502	20.8
163.04007	100.0
173.04529	1.3
195.21564	0.9
241.14467	1.2
319.08270	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03717	0.5
71.01362	0.5
73.02942	1.1
81.03458	2.4
83.05019	5.7
93.03452	35.2
109.02968	0.6
111.04511	15.3
113.02464	0.6
114.72972	0.5
117.03449	2.1
119.05020	95.1
137.02448	28.4
145.02956	23.8
155.03511	19.1
163.04019	100.0
173.04591	2.0
319.08264	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0827
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
52.26183	0.6
73.02937	1.4
75.48112	0.7
76.63455	0.7
77.38765	0.8
78.83701	0.7
81.03434	1.0
83.05022	3.6
83.06540	0.8
93.03448	21.3
95.05003	1.0
97.02946	1.3
101.44127	0.9
109.02925	1.6
110.23276	0.8
111.04495	12.3
117.03472	9.8
119.05025	23.1
121.02943	1.0
137.02477	9.7
139.03999	7.0
145.02959	100.0
152.03523	2.0
155.03516	11.0
163.04010	25.9
173.04446	1.2
183.02986	8.2
220.04433	0.8
247.07269	6.1
288.78726	0.9
319.08270	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0828
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.48603	0.6
59.01380	4.8
62.24411	0.7
67.88992	0.7
71.01375	1.9
73.02943	3.8
83.05050	1.2
85.02940	1.5
93.03452	17.6
99.00840	1.0
101.02454	1.0
111.04513	4.9
115.28996	0.8
117.03456	4.9
119.05030	29.5
134.06099	1.0
137.02449	8.9
137.03342	1.0
145.02962	100.0
155.03520	5.7
157.08701	1.1
163.04028	26.4
173.04588	3.5
203.08246	1.0
238.02255	0.8
319.08264	42.8
319.13913	4.0
319.21198	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
64.41291	2.2
70.02972	10.7
71.01368	5.2
72.00918	15.7
72.99300	10.4
74.02479	9.9
84.04539	2.9
92.23151	2.4
96.00887	8.6
96.96044	2.2
98.02452	3.1
99.00884	10.7
100.30981	2.1
105.52612	2.4
109.01686	66.9
110.02473	82.0
113.02422	3.3
114.01962	12.2
116.05058	38.5
119.05018	2.3
123.63538	2.4
128.03494	5.3
130.06612	2.7
142.06607	5.0
157.07684	12.1
157.72133	2.6
159.09241	12.8
161.04453	2.8
163.03954	2.9
186.05688	3.0
197.07193	3.3
203.06482	4.7
203.08284	100.0
213.10382	13.2
215.08286	8.6
283.07275	75.4
301.08350	50.6
319.05023	4.3
319.08987	38.8
319.13055	5.5
319.21350	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59688	0.6
62.26563	0.5
63.33881	0.5
78.66042	0.7
82.03008	2.2
83.05070	0.7
84.39268	0.6
87.39493	0.5
93.03431	4.3
103.70482	0.7
110.02482	2.6
111.04546	2.7
117.03470	0.7
119.05004	4.3
122.06101	3.2
137.02449	3.3
139.04016	2.4
145.02960	13.7
152.03542	40.8
153.01962	0.8
155.03491	0.7
163.04018	3.7
164.03606	0.9
183.03032	2.9
202.63190	0.6
205.06213	1.2
231.04201	0.9
232.04907	12.7
244.05009	2.9
247.07260	100.0
257.09335	0.9
259.07281	6.7
275.10342	2.8
277.08463	1.2
287.32239	0.6
319.09393	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59688	0.6
62.26563	0.5
63.33881	0.5
78.66042	0.7
82.03008	2.2
83.05070	0.7
84.39268	0.6
87.39493	0.5
93.03431	4.3
103.70482	0.7
110.02482	2.6
111.04546	2.7
117.03470	0.7
119.05004	4.3
122.06101	3.2
137.02449	3.3
139.04016	2.4
145.02960	13.7
152.03542	40.8
153.01962	0.8
155.03491	0.7
163.04018	3.7
164.03606	0.9
183.03032	2.9
202.63190	0.6
205.06213	1.2
231.04201	0.9
232.04907	12.7
244.05009	2.9
247.07260	100.0
257.09335	0.9
259.07281	6.7
275.10342	2.8
277.08463	1.2
287.32239	0.6
319.09393	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06306	0.5
52.21928	0.5
57.55903	0.4
59.01377	0.9
61.12233	0.4
67.01877	4.4
71.01380	1.2
73.83875	0.4
74.02512	0.5
84.95497	0.5
85.02918	1.0
101.02409	2.8
111.00868	100.0
134.19200	0.5
207.08759	2.8
232.00685	0.6
319.13971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
68.83747	0.5
73.02937	1.4
93.49323	0.5
96.00969	0.6
98.02468	1.0
116.92845	0.9
136.01677	1.2
137.02420	0.7
147.63115	0.7
151.04010	1.4
195.04448	1.0
209.56624	0.6
213.05652	4.8
223.03993	1.1
241.05080	100.0
256.07425	66.6
271.09781	88.6
291.39676	0.6
301.10324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.119
Annotation	Scytalol C
Peak:m/z	Relative Intensity
51.81715	0.5
57.48057	0.5
67.14516	0.6
68.35194	0.6
85.02945	0.8
87.00858	1.2
89.02477	0.6
99.04483	2.6
125.02416	2.4
138.03212	6.6
145.02963	0.7
151.00333	1.3
166.02708	16.2
166.43837	0.6
170.02197	0.7
173.06036	0.8
239.07135	1.2
257.08221	100.0
275.05811	0.7
275.09326	2.4
319.11890	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1188
Annotation	Scytalol C
Peak:m/z	Relative Intensity
59.01376	0.7
85.02943	24.3
86.50436	0.7
113.02439	8.4
128.37117	0.6
157.06570	3.3
163.41714	0.7
165.52625	0.8
173.06068	9.6
175.07695	1.5
199.07568	0.8
217.08727	4.2
219.09163	0.8
227.02119	0.7
245.08202	100.0
257.08252	7.0
266.53122	0.7
267.44153	0.7
319.11871	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1402
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
59.01103	1.3
59.01383	28.4
71.01375	12.9
72.99301	0.8
73.02940	1.8
85.02945	1.5
87.00858	1.5
88.23296	0.7
89.02441	16.6
93.03460	1.7
94.55098	0.8
101.02440	12.6
111.04521	3.2
111.08154	13.9
113.02448	5.7
117.03457	1.8
119.03513	5.8
119.04281	0.8
119.05016	7.4
127.04008	3.4
128.04379	4.2
139.07652	4.7
141.09186	1.2
145.02951	30.2
155.03467	1.1
156.03848	2.7
157.08698	57.2
199.02454	1.2
200.02896	3.8
278.98364	0.7
315.80292	0.8
319.08475	14.2
319.14017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	14.1
59.01380	15.1
65.11772	1.1
83.05032	2.4
87.12741	1.1
89.80527	1.3
98.49419	1.3
108.53353	1.3
109.06616	1.4
111.20707	1.4
167.10727	3.0
193.16010	3.2
195.13908	8.7
217.12065	7.5
237.14964	100.0
259.13168	78.9
259.15332	2.2
319.15247	6.5
319.20239	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46400	1.0
58.02981	2.4
59.01385	26.3
63.95866	1.3
77.47141	1.3
83.65063	1.3
91.05529	13.5
94.83800	1.2
96.91478	1.4
99.55116	1.3
119.67693	1.6
129.10345	53.8
147.04520	13.5
153.10370	2.3
154.08769	9.7
164.07179	39.7
171.11412	34.2
186.27818	1.5
233.16614	34.3
261.18213	1.4
275.16754	2.2
277.15799	1.4
301.01956	1.8
319.16660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1766
Annotation	bhos#10
Peak:m/z	Relative Intensity
59.01395	1.0
69.55247	0.8
72.35378	0.8
81.49990	1.0
88.88874	0.9
92.23176	1.2
99.12948	1.0
127.89808	1.0
130.05769	0.9
145.02980	1.6
165.12872	11.9
165.80037	1.0
183.13918	59.3
199.13428	47.5
227.12871	12.5
245.13959	76.1
319.17670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70446	1.3
56.03957	1.4
59.24548	1.2
61.87831	1.2
67.29444	1.2
78.32466	1.6
80.93697	1.3
96.95979	1.5
111.45914	1.5
121.54786	1.9
135.11687	1.9
183.10309	1.7
275.20218	100.0
319.19217	17.8
319.22781	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70446	1.3
56.03957	1.4
59.24548	1.2
61.87831	1.2
67.29444	1.2
78.32466	1.6
80.93697	1.3
96.95979	1.5
111.45914	1.5
121.54786	1.9
135.11687	1.9
183.10309	1.7
275.20218	100.0
319.19217	17.8
319.22781	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1917
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
57.03451	12.9
59.01361	0.8
68.78356	0.8
76.65930	0.8
83.05012	7.0
88.80302	0.8
105.07095	1.4
111.04489	1.3
119.88961	0.8
121.06563	4.6
130.17735	0.8
138.92265	0.8
170.64604	1.0
177.12871	7.5
189.12866	18.5
199.13422	1.2
227.18079	4.0
241.15849	1.4
245.19118	32.6
257.19229	6.2
271.17188	2.1
275.20203	8.6
289.18118	67.6
306.35614	0.9
319.19165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81517	0.4
55.81186	0.4
69.19530	0.5
73.02956	0.7
74.56974	0.4
85.50888	0.5
92.62740	0.5
96.36176	0.5
118.37186	0.5
119.08667	2.2
123.08134	0.9
132.27454	0.5
171.47548	0.6
265.42303	0.5
271.20651	7.2
281.19138	0.5
287.20157	1.8
299.20209	31.9
301.21655	2.4
319.22812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	5(S)-HETE
Peak:m/z	Relative Intensity
56.22252	1.4
59.01389	13.7
73.56918	1.5
89.25982	1.7
103.23716	1.5
113.09672	4.2
115.64936	2.0
121.10229	3.3
134.15349	1.6
139.11230	2.1
168.40417	1.7
175.14908	11.6
203.17986	2.9
207.13879	18.9
219.13919	22.0
222.95140	1.7
257.22873	16.9
301.21750	27.0
319.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33064	0.4
53.82988	0.5
54.15966	0.5
67.25105	0.5
108.38097	0.6
121.64278	0.6
122.01005	0.6
184.24709	0.6
194.06030	0.7
196.07706	1.3
218.06070	0.6
220.07700	3.3
224.07291	0.8
248.07153	4.3
249.04359	3.3
262.05063	3.4
264.06662	30.0
276.06708	1.3
277.03839	2.7
277.07431	1.1
290.04590	3.4
290.08224	2.3
292.06189	33.8
305.06857	0.6
313.44778	0.6
318.03998	0.8
319.04730	0.7
320.05676	100.0
320.09012	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0566
Annotation	Oxocompostelline
Peak:m/z	Relative Intensity
57.08263	1.2
69.11559	0.9
81.08353	1.0
101.08958	1.2
125.88041	1.3
233.04884	1.7
234.05492	2.3
248.03587	1.5
249.04333	18.9
261.04251	6.2
262.05112	10.2
263.05939	2.1
264.06592	1.8
275.02295	7.2
276.03006	4.4
277.03802	66.8
289.03925	5.0
290.04630	16.0
291.05362	15.6
292.06189	30.6
305.03323	56.3
305.06750	2.5
319.05219	2.1
320.05661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0569
Annotation	Artabotrine
Peak:m/z	Relative Intensity
56.89365	0.9
58.65085	1.2
60.32380	1.0
100.27946	1.1
190.06622	12.8
192.04486	1.1
194.06302	1.7
202.39366	1.1
204.04559	4.5
205.05367	2.4
206.06161	1.5
218.06100	5.7
220.03954	2.2
222.05603	5.5
232.04079	16.7
233.04826	24.4
234.03424	1.9
234.05623	41.0
236.03514	1.5
236.07193	1.9
246.05606	7.5
260.03564	14.8
261.04337	6.9
262.05106	100.0
263.05835	9.2
264.02991	2.7
264.06720	7.6
274.05127	5.4
277.03729	2.7
288.02985	2.7
288.97827	1.2
289.03827	1.5
290.04626	96.4
291.05411	18.7
292.06238	15.7
302.04559	1.8
310.88535	1.1
318.04099	22.2
319.04874	35.2
320.05649	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79373	0.5
59.60701	0.4
61.03052	0.5
66.92989	0.5
98.18885	0.5
98.52847	0.6
135.58244	0.5
147.22263	0.6
194.06073	0.7
196.07692	2.2
219.07048	0.7
220.07657	4.1
220.72380	0.6
224.07150	0.8
236.07275	0.6
246.81374	0.6
248.07289	4.6
249.04385	3.7
262.05121	2.8
264.06680	29.2
272.10422	0.6
273.04242	0.7
275.05994	2.8
276.06683	5.6
277.03940	2.8
277.07492	7.0
288.33112	0.6
290.04706	4.8
290.08289	6.5
292.06168	31.2
304.06235	3.5
305.07056	5.4
318.04211	1.1
318.07834	2.8
319.04904	1.1
320.05716	100.0
320.09305	11.9
337.06735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0777
Annotation	Furomegistine I
Peak:m/z	Relative Intensity
50.84740	0.5
68.99812	1.5
86.02454	1.1
94.66977	0.7
96.99304	4.3
101.17728	0.7
147.04491	9.0
160.04027	1.2
162.05597	56.3
176.07178	6.3
188.07182	4.1
204.06628	1.2
204.35440	0.7
216.06683	17.6
232.03813	0.8
232.06146	23.2
260.05646	87.1
269.61926	0.7
308.77686	0.8
320.07767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0778
Annotation	Furomegistine I
Peak:m/z	Relative Intensity
50.05668	0.8
56.94664	0.7
58.60942	0.8
59.01385	1.0
64.17925	0.9
66.07367	0.8
66.53057	0.8
70.87889	1.0
73.81971	1.0
77.48833	1.0
80.81455	1.1
109.02946	22.9
118.78806	0.9
147.65186	1.0
152.03506	2.5
162.01985	4.0
180.95743	1.0
194.37726	1.1
203.48744	0.9
216.02882	1.4
244.06117	1.6
260.05811	1.2
269.92963	1.0
288.05167	100.0
320.07822	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40582	1.2
55.55112	1.2
56.25982	1.2
62.43195	1.6
64.40747	1.6
65.12670	1.4
79.60682	1.6
81.85275	1.6
101.84958	1.4
104.04944	1.7
111.84270	1.4
185.77011	1.5
220.07527	1.7
234.05569	2.2
247.06308	2.4
248.07327	11.5
249.07855	2.3
254.38631	1.5
260.07275	2.1
262.05051	7.1
264.06674	6.3
275.05893	25.2
276.06674	53.5
277.07449	57.0
290.04947	3.3
290.08249	50.2
291.09061	2.6
303.05392	8.5
304.06241	31.6
305.06961	38.4
318.07639	17.8
319.08499	10.3
320.05646	15.2
320.09250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79808	1.4
68.04858	1.4
92.22506	2.4
104.85291	1.5
118.93082	1.4
153.54086	1.6
167.33336	1.6
247.06430	2.2
248.07126	13.5
249.07814	2.9
262.05063	7.4
264.06631	2.3
275.05914	21.0
276.06686	47.5
277.07437	49.0
277.37683	1.6
290.08209	38.9
291.08969	3.5
292.09793	2.5
303.05319	7.1
304.06223	23.9
305.06979	31.5
318.07681	19.2
319.08612	2.2
320.09290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.093
Annotation	Teliglazine
Peak:m/z	Relative Intensity
57.10477	0.9
62.67371	1.1
66.61937	1.3
69.30102	1.1
85.74535	1.2
120.41592	1.3
138.69125	1.2
179.90111	1.2
220.07619	2.1
234.05585	2.3
248.07144	17.1
249.04308	1.6
249.07889	2.9
250.06137	1.8
260.07333	2.3
262.05011	11.1
264.06668	24.2
275.05927	20.7
276.06674	48.0
277.07455	54.8
290.04999	3.3
290.08234	43.9
291.09024	5.2
292.06277	21.9
303.05411	6.8
304.06174	26.4
305.06931	36.3
318.07697	21.2
319.08469	8.8
320.05630	64.5
320.09320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43356	1.1
63.31445	1.2
64.17999	1.2
65.13612	1.2
71.15392	1.1
82.11169	1.2
103.43038	1.2
126.71962	1.3
171.71509	1.4
175.67780	1.2
197.25351	1.5
220.07643	2.0
234.05634	2.0
248.07289	10.3
249.07893	4.7
262.05099	7.9
264.06683	6.3
275.05920	21.3
276.06686	38.1
277.07465	44.7
290.05048	3.7
290.08258	40.5
292.06229	2.5
302.17578	2.8
303.05472	7.3
304.06195	30.9
305.03790	2.3
305.06976	31.0
318.07724	18.0
319.08456	6.8
320.05716	11.6
320.09253	100.0
320.18588	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1353
Annotation	Salbostatin
Peak:m/z	Relative Intensity
55.62285	0.7
57.03457	0.9
69.03444	1.1
71.01385	1.9
72.99307	33.3
79.44785	0.8
83.01382	0.9
84.08197	1.5
85.02943	19.4
94.02956	1.6
97.02966	1.3
103.92010	1.1
105.66939	0.9
108.94692	1.0
112.04066	0.9
113.02444	35.4
122.09734	1.0
128.01146	3.7
128.19345	0.9
130.08736	100.0
130.94374	7.5
152.10780	3.9
153.09279	1.1
158.08215	4.3
164.10802	5.6
182.11879	9.4
185.96222	5.4
214.10835	1.4
226.10864	23.4
244.11874	13.9
275.95847	1.5
288.10989	4.2
320.13593	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
62.48654	2.7
66.31904	2.9
76.85309	3.1
116.47987	2.7
120.38622	3.5
131.82265	3.1
150.09999	4.8
167.10776	45.6
168.11084	40.1
181.59236	3.1
200.36717	3.3
206.60089	3.5
224.15834	3.3
287.15637	3.9
320.23029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
60.60905	2.2
62.61089	2.1
62.86301	2.2
78.92092	2.6
104.65372	2.7
125.99666	2.4
149.09778	2.9
150.10062	3.1
167.10754	35.3
168.11093	43.6
171.69649	2.6
309.88382	2.9
320.23053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10172	0.8
58.50352	0.7
60.78785	0.9
65.01448	6.0
66.00968	1.6
69.67308	0.7
82.04099	42.2
84.29913	0.9
104.49082	0.8
109.29174	1.0
120.23979	0.9
135.84457	0.9
177.85683	1.0
230.29645	0.9
278.24902	34.7
279.24493	1.6
289.13284	1.3
320.27097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.9625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29347	2.6
53.40295	2.6
57.16123	2.6
59.01382	5.5
62.80717	2.6
72.99310	4.4
85.02964	3.5
88.35557	2.8
126.97272	3.3
128.03384	3.0
136.94002	22.8
147.10715	3.3
178.95058	100.0
191.05695	4.6
193.01605	3.7
206.11731	4.0
206.62750	3.5
232.04553	3.2
234.97209	13.0
236.95021	3.7
278.96082	19.2
320.96326	42.8
321.05356	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.972
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	1.7
83.37782	0.6
88.63538	0.8
108.73939	0.6
134.96059	4.8
136.94006	24.7
136.94962	1.1
170.99692	1.0
178.95047	100.0
178.97726	3.6
189.98317	0.8
190.98132	2.8
192.96124	0.8
196.96095	1.2
201.65550	0.7
234.97141	31.4
236.95038	10.9
276.97287	1.0
278.96130	39.5
287.65231	0.8
320.96439	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00341	1.9
52.39038	0.8
55.69775	0.7
57.97559	9.0
58.36555	0.8
59.01385	1.3
60.65026	0.7
65.99849	3.8
68.84406	0.9
79.02983	1.4
81.04588	3.6
83.99128	27.5
87.80183	0.9
89.72005	0.8
96.34357	0.9
97.99456	1.3
107.02500	3.5
109.02953	5.8
113.01764	3.2
117.92769	0.8
121.01264	0.8
125.98940	1.6
127.16010	0.9
133.07835	0.9
134.03677	1.4
138.25468	1.0
141.01295	100.0
146.78339	0.9
153.00217	1.1
175.04021	4.2
176.77827	1.1
185.00325	4.1
187.10994	1.1
251.20686	0.9
253.43085	1.0
259.01862	3.6
277.02878	12.6
303.00870	1.3
321.01917	97.4
321.09882	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0289
Annotation	DNP-19
Peak:m/z	Relative Intensity
59.65673	0.5
78.09240	0.6
80.15020	0.5
83.16554	0.6
96.95975	1.1
98.59183	0.6
101.33696	0.5
108.02170	13.3
123.04514	15.1
130.76115	0.5
131.80490	0.5
137.33420	0.5
151.50230	0.5
152.01152	56.8
152.98656	0.6
160.01630	0.7
161.13185	0.5
167.03496	100.0
193.05070	1.1
270.83182	0.6
274.89349	0.5
291.72952	0.6
305.93576	0.6
321.02911	21.6
321.06595	1.1
321.09702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0982
Annotation	Luisol A
Peak:m/z	Relative Intensity
59.01373	7.0
65.12415	1.3
79.36845	1.2
80.34277	1.2
81.90809	1.3
93.03453	3.0
108.32210	1.5
108.99477	1.2
121.02951	5.7
135.04549	2.3
149.02425	18.6
152.01114	7.9
159.04544	1.9
160.01691	1.4
163.04005	10.1
163.38014	1.5
164.04794	49.3
169.05048	3.0
171.53835	1.6
176.58124	1.5
179.07175	16.1
182.69939	1.5
187.13910	1.3
187.21703	1.5
190.02673	2.3
193.01448	17.4
195.28598	1.3
207.94989	1.3
208.03790	100.0
223.06142	92.3
263.05597	1.6
273.47211	1.4
291.05182	32.0
306.07516	8.7
321.09805	84.3
326.80090	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0983
Annotation	Thalifendine
Peak:m/z	Relative Intensity
52.55500	0.8
59.01104	2.0
59.01383	47.8
59.51873	1.0
63.18166	0.9
66.59494	1.2
85.02969	1.6
89.02406	1.0
111.04482	1.4
121.02982	1.8
127.63766	1.1
129.57129	1.3
138.93597	1.3
147.04550	2.6
149.02440	24.5
160.01567	1.9
164.04800	72.2
166.02692	2.7
175.03996	7.3
179.07140	40.3
181.05096	8.4
189.05623	1.3
203.07208	11.0
204.07913	2.6
217.05020	4.6
218.09424	1.2
223.06119	10.9
232.07422	4.5
247.06100	17.2
247.09711	1.5
248.52611	1.3
253.04848	1.2
262.08447	9.2
277.10901	2.6
279.34558	1.0
309.99445	1.3
321.09811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01382	100.0
62.42051	0.7
63.81588	0.7
68.84136	0.7
71.01405	0.9
71.06718	0.8
75.18785	0.8
111.04496	1.2
113.02522	1.0
121.06572	0.8
122.03824	1.0
123.04546	1.0
125.02452	0.9
129.35133	1.0
133.06610	10.8
135.08170	1.0
135.38910	0.9
139.07654	23.3
145.61769	0.7
149.06041	1.7
151.07605	0.9
159.10284	1.7
169.08696	4.2
181.08681	9.4
187.11259	1.8
202.09993	1.3
205.12413	2.9
210.08957	5.5
211.09746	3.8
217.12451	2.0
277.14423	1.1
321.09973	1.2
321.15616	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32642	0.7
59.01100	1.5
59.01380	30.1
63.71887	0.7
65.56765	0.8
70.84521	0.7
71.01373	10.9
72.60223	0.8
73.02914	0.9
76.46580	0.8
78.93832	0.8
85.02945	3.1
87.43040	0.7
89.02436	19.2
100.14729	0.7
101.02425	16.4
113.02413	7.9
113.09715	15.6
114.75455	0.9
119.03489	7.0
129.70158	0.9
140.95758	0.8
141.09261	7.1
143.10785	1.7
155.10736	1.3
159.10262	61.7
193.26036	0.9
219.06528	0.8
222.81503	0.8
235.84056	0.9
254.61159	1.2
309.32220	0.8
321.15588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75081	0.5
59.01384	100.0
60.04314	0.5
65.89283	0.6
68.76228	0.5
71.01377	3.3
76.06291	0.6
86.26241	0.6
89.02429	4.6
113.02445	1.2
117.43500	0.6
119.03459	1.1
328.99512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03416	2.5
59.01383	100.0
70.34330	2.4
70.47337	2.1
71.00999	5.5
71.01379	88.8
71.99773	2.8
73.02942	26.0
76.09211	2.8
83.01386	13.5
85.02936	37.1
87.04508	2.8
89.02427	62.6
95.01378	5.3
99.00880	6.4
101.02440	70.8
113.02447	51.1
118.97763	2.6
119.03495	17.7
159.10252	13.2
161.04565	37.2
179.05486	2.7
291.28882	2.9
321.08981	3.6
321.15591	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23789	0.7
58.83952	0.7
59.01381	61.4
70.01797	0.9
71.01378	24.5
83.01394	1.2
85.02946	4.8
89.02436	35.5
95.01360	1.3
101.02438	24.5
105.23550	1.3
113.02432	13.6
119.03489	13.0
128.66125	0.8
132.88081	0.9
141.09213	6.1
152.03503	1.8
154.87720	0.8
158.12915	0.8
159.10271	3.9
181.61226	0.9
189.27939	0.9
253.44664	1.1
260.39462	1.0
281.40024	1.0
321.15564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.20376	2.0
57.03449	10.8
60.62736	1.8
64.07046	2.2
71.05026	10.9
73.79538	1.7
81.03455	8.4
83.05029	2.2
83.82552	2.0
88.33369	1.8
89.38506	1.9
93.03454	9.6
95.05021	54.8
97.06585	12.2
107.05020	11.4
109.06597	16.2
111.04515	9.2
121.02920	4.1
121.06601	4.4
123.04516	2.3
123.08174	15.0
125.09718	54.1
135.04541	4.8
149.06090	10.3
149.09651	2.7
151.07645	100.0
167.07166	3.6
171.10257	18.2
177.12819	3.5
178.06424	7.7
185.11876	22.1
205.12343	4.4
221.12012	3.0
223.13443	10.6
235.13333	2.9
245.11787	3.2
247.13364	3.7
251.19307	2.2
263.12888	4.6
265.14404	33.8
303.16098	14.3
321.17114	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.9
60.16986	0.6
75.69624	0.7
79.15767	0.7
79.88784	0.7
85.27050	0.7
103.33880	0.7
105.68398	0.8
203.72163	0.8
239.20166	100.0
321.17200	1.1
321.20496	31.8
325.54367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07128	1.0
57.88126	1.1
58.24726	0.9
58.42263	1.0
59.01380	19.6
75.33034	1.3
77.11581	1.1
78.61902	1.1
116.21819	1.2
194.30103	1.1
224.91847	1.2
239.20183	100.0
258.14835	1.4
302.83670	1.5
314.17563	1.2
321.20502	51.6
323.94528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
50.42912	0.9
57.41819	0.9
61.82394	1.0
73.47650	1.0
75.99310	1.0
90.70795	1.1
107.92930	1.1
136.05275	9.0
174.51006	1.4
228.91733	1.3
259.20605	6.8
277.21774	31.1
303.19705	26.6
321.20718	100.0
332.48538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.97781	1.5
59.01363	2.3
72.38172	1.6
83.05014	2.1
93.63913	1.9
97.06553	2.6
106.04234	10.1
119.05046	2.1
119.53681	1.9
152.17114	2.0
203.17899	2.3
243.17607	4.5
245.16502	3.3
245.19099	100.0
261.18549	2.4
263.20148	4.4
265.33832	2.1
271.17050	29.1
275.79767	2.0
277.21783	9.5
283.16516	1.9
289.18115	35.7
303.23288	13.1
321.20734	57.3
321.24390	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97781	1.5
59.01363	2.3
72.38172	1.6
83.05014	2.1
93.63913	1.9
97.06553	2.6
106.04234	10.1
119.05046	2.1
119.53681	1.9
152.17114	2.0
203.17899	2.3
243.17607	4.5
245.16502	3.3
245.19099	100.0
261.18549	2.4
263.20148	4.4
265.33832	2.1
271.17050	29.1
275.79767	2.0
277.21783	9.5
283.16516	1.9
289.18115	35.7
303.23288	13.1
321.20734	57.3
321.24390	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82396	1.4
51.85252	1.3
51.92243	1.3
53.43893	1.3
58.55955	1.4
59.01385	2.3
63.38906	1.5
69.67301	1.5
80.25820	1.7
92.22451	3.5
93.32137	1.7
98.17439	1.4
103.98550	1.7
145.93140	2.3
195.13940	8.3
205.12370	2.8
221.74130	2.0
223.13345	9.6
256.13211	3.0
275.20178	22.5
293.21265	100.0
321.20935	1.8
321.24292	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62643	1.8
56.70116	2.0
59.01374	3.5
81.53488	2.2
91.15831	2.3
98.00648	2.2
122.80833	2.7
145.33624	2.9
174.40401	2.4
183.13911	43.3
211.13541	3.4
223.17068	3.5
224.33107	2.4
273.76895	2.3
275.20224	44.2
293.21289	100.0
303.23257	4.9
321.20905	4.2
321.24347	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49672	0.4
54.39001	0.4
55.09020	0.4
58.43305	0.4
59.01382	1.1
63.51554	0.5
64.73404	0.4
65.39761	0.5
68.80333	0.4
78.08678	0.5
78.95929	0.6
79.95742	0.8
80.68384	0.5
96.96004	67.5
125.28047	0.5
127.03819	0.4
196.80067	0.5
198.20363	0.5
236.76697	0.6
263.95825	0.6
283.63647	0.5
290.48917	0.5
294.98825	0.6
321.21078	100.0
321.24319	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59008	0.3
55.50506	0.3
56.56438	0.4
59.01368	0.5
59.61281	0.4
65.54486	0.4
71.18488	0.4
77.72218	0.4
78.95898	7.7
89.87061	0.4
91.96471	0.4
92.23063	0.6
96.96001	67.7
115.03967	0.8
128.94553	0.4
279.55716	0.5
321.21078	100.0
321.24088	4.6
322.80994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44726	0.5
59.01379	6.1
65.33755	0.6
73.02944	3.5
79.95723	0.7
91.71468	0.7
96.96002	70.2
146.63409	0.7
153.65251	0.7
189.64525	0.6
221.51729	0.7
263.23770	1.3
275.23886	1.1
293.24911	3.7
321.21042	100.0
321.24429	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75235	0.4
58.05592	0.4
59.01385	0.8
60.28166	0.4
67.09210	0.5
67.33894	0.5
78.95914	0.9
88.19691	0.4
96.96003	66.9
111.25211	0.4
121.55887	0.5
133.97234	0.5
136.31001	0.4
157.08698	2.0
163.14981	0.8
166.07474	0.6
207.14262	0.5
238.48619	0.4
249.06566	0.5
250.74452	0.5
277.96661	0.5
303.22958	1.3
303.31427	0.5
321.21085	100.0
321.24240	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2436
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
78.01733	1.0
96.96004	1.9
99.14664	1.1
109.06626	1.3
114.54093	1.0
142.05054	1.1
150.57355	1.0
155.10754	1.1
166.80914	0.9
211.17070	21.5
239.16476	3.7
247.09731	1.0
263.20190	25.1
303.23322	50.3
321.21576	4.1
321.24405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2436
Annotation	ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Peak:m/z	Relative Intensity
59.01382	1.0
83.29686	1.1
91.61417	1.2
94.04227	20.0
95.05022	35.3
95.44129	1.1
121.06614	2.6
123.08165	4.3
258.58078	1.0
261.22272	1.2
275.23819	6.4
277.25378	94.2
321.24390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2546
Annotation	Cermizine A
Peak:m/z	Relative Intensity
53.19098	1.3
65.01429	1.5
67.02991	1.7
71.58019	1.1
74.15011	1.4
82.04083	2.9
90.73719	1.2
100.57172	1.3
120.67011	1.2
126.32686	1.5
149.70761	1.3
153.67769	1.3
155.10710	1.4
161.99907	1.4
190.93993	1.3
206.12273	1.4
249.23286	9.9
253.21568	5.7
261.23346	14.3
277.26462	18.0
279.25311	4.7
294.24237	7.7
303.24246	8.6
321.25311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19477	0.8
59.76516	0.8
61.72028	0.8
68.27108	0.9
78.09677	0.9
82.81606	0.8
165.29559	1.0
196.30597	1.0
222.05748	1.2
235.06380	1.9
250.05089	5.0
251.05878	3.8
278.04660	14.3
279.05399	49.7
290.04608	2.1
292.02908	1.6
292.06201	5.5
306.03928	1.8
307.04910	100.0
307.75372	0.9
322.07251	94.9
322.10629	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0723
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
55.20667	0.6
58.23419	0.5
59.21996	0.5
59.70215	0.5
69.22801	0.6
72.73586	0.5
72.78223	0.5
78.18124	0.6
92.22572	0.8
101.12746	0.6
102.17024	0.6
107.17064	0.6
114.58036	0.7
179.21402	0.6
259.34039	0.7
277.07645	1.4
278.04733	0.8
278.08109	1.3
279.05377	4.1
292.06158	7.6
293.06989	58.5
294.07767	100.0
307.05399	0.9
307.08548	3.1
320.05756	1.4
322.07254	98.6
322.10541	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0724
Annotation	Aristoliukine C
Peak:m/z	Relative Intensity
65.09123	0.5
68.09190	0.5
77.27622	0.6
78.76923	0.6
81.85152	0.6
83.07185	0.6
84.16295	0.5
86.05479	0.6
106.57248	0.7
109.75094	0.7
120.23363	0.7
135.60033	0.6
145.53154	0.7
201.62624	0.7
250.08658	0.6
263.05905	0.8
264.06870	0.7
265.07642	0.7
268.58405	0.9
276.06671	0.8
277.07596	0.7
278.04718	1.2
278.08224	2.4
279.05392	3.4
292.06177	12.6
292.09140	0.8
293.04303	0.6
293.06973	52.8
294.07764	100.0
307.05164	1.1
307.08597	5.6
322.07260	93.5
322.10721	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0726
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
50.47271	0.7
58.13654	0.7
59.01386	10.2
60.01727	1.0
73.07081	0.9
77.72559	0.7
80.41888	0.7
132.04539	12.3
140.07899	1.0
148.50450	0.9
161.02461	1.9
169.85182	0.9
250.08775	1.9
251.05983	0.8
264.03122	6.6
266.08179	11.6
267.06641	1.9
279.05450	8.0
292.02591	26.3
292.06219	26.5
294.04471	1.3
294.07791	45.4
307.04929	44.4
307.08554	15.7
322.07272	100.0
322.10788	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0723
Annotation	Decumbenine B
Peak:m/z	Relative Intensity
60.59505	1.6
74.58321	1.7
80.22856	2.0
81.09383	2.0
88.48181	1.7
91.01858	7.9
109.02888	2.9
118.71310	1.8
119.04991	1.9
119.76779	1.8
120.87193	2.1
121.02937	3.3
130.04265	2.9
131.05026	4.6
142.02962	2.0
144.04524	12.9
159.04529	26.1
160.04037	2.2
210.07625	1.8
222.05632	2.9
234.05550	4.2
236.07146	12.9
237.05693	3.0
246.05615	2.2
247.06372	8.6
248.07187	9.6
251.05782	2.4
262.02582	1.7
262.05200	12.6
263.05865	12.9
264.06635	59.2
265.07440	12.2
266.08273	13.7
275.06006	2.3
276.06564	4.2
278.04572	10.1
279.05450	3.4
291.05435	4.0
291.35983	2.1
292.06161	80.2
293.06964	42.6
294.07779	40.7
320.05676	27.7
321.06451	30.2
322.07196	100.0
322.10443	4.0
341.90536	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1088
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
51.89576	0.7
56.35558	0.8
58.58857	0.7
65.22485	0.8
67.61860	0.7
90.27584	1.0
90.96592	0.9
110.94297	0.9
137.21375	0.8
154.78912	0.8
158.59868	1.0
169.67824	1.0
264.06711	5.0
276.06808	1.0
277.07309	1.5
279.08926	1.2
289.07425	1.9
292.06201	100.0
306.07703	3.3
307.08554	62.6
314.21802	1.0
322.10867	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00191	1.2
57.84157	1.5
60.16983	1.2
63.56618	1.5
69.84917	1.3
96.41643	1.4
110.70837	1.5
133.49532	1.5
161.95020	1.5
186.05606	1.5
264.06744	1.7
276.06680	2.1
292.06213	100.0
305.40186	1.6
306.07748	3.3
307.08511	69.4
307.11896	3.0
322.10873	60.5
323.92551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49210	0.8
53.78664	0.8
56.86085	0.7
85.09615	0.8
126.76848	0.9
129.49158	0.9
135.26883	0.9
149.03928	1.1
189.38062	1.0
264.06729	5.1
276.06961	1.3
291.05371	1.9
292.06198	100.0
292.74252	1.1
306.07840	5.0
307.08536	73.1
322.10889	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46944	0.7
63.23705	0.6
63.68179	0.6
64.42765	0.5
72.99350	0.7
78.13934	0.6
92.22539	0.7
104.03342	0.6
168.71545	0.7
263.05850	0.8
264.06635	3.6
276.06564	1.5
277.03885	0.8
291.05225	1.4
292.06186	100.0
306.07690	4.3
307.08521	69.3
322.10867	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1087
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
74.69329	0.9
104.52116	1.1
126.12482	0.8
231.06941	1.2
234.09253	5.6
246.09273	1.9
251.09497	5.8
264.06741	4.2
274.05133	4.0
275.05948	1.2
279.09048	2.0
289.07465	52.9
290.08105	1.3
291.05585	4.8
292.06207	53.5
304.09836	43.7
306.07843	8.8
307.08484	15.7
322.10876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36194	0.4
59.01379	3.2
61.55692	0.4
71.01369	2.3
71.50472	0.5
72.01717	0.5
89.02454	0.7
99.37423	0.5
101.02416	0.9
113.02382	0.6
238.53877	0.6
263.05826	0.9
264.06595	3.7
282.24146	0.5
291.05243	1.1
292.06189	100.0
307.05222	2.2
307.08511	47.4
322.07504	2.2
322.10880	48.8
322.15836	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31037	1.7
55.90449	1.6
57.95364	1.8
58.52056	1.6
75.71745	2.1
75.87444	1.7
84.94824	1.7
141.16431	2.9
162.56104	1.9
168.00046	2.1
176.06161	2.2
197.61961	1.9
266.32861	2.0
267.59750	2.4
292.06168	100.0
306.07782	2.9
307.05063	3.3
307.08496	51.2
322.10846	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33148	1.0
53.11443	1.0
58.02964	2.4
59.01103	2.3
59.01385	58.9
71.01373	26.6
73.02937	1.5
78.95898	2.6
83.01402	1.5
85.02962	5.3
89.02435	39.4
95.09958	1.2
98.06102	3.1
100.04039	2.6
101.02435	21.0
113.02450	13.8
119.03487	14.7
142.05075	9.1
160.04013	2.9
160.06154	13.0
179.05560	2.2
211.00139	2.1
274.06439	1.4
322.11472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.43812	0.3
57.04422	0.3
57.44753	0.3
58.02980	2.6
67.32233	0.4
92.22475	0.5
95.18749	0.4
112.00256	0.4
128.10815	12.1
130.08733	100.0
144.10828	0.4
172.09775	2.8
292.06186	1.0
307.08542	0.8
322.17416	1.8
322.20291	46.9
334.53598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44923	1.4
53.69125	1.4
59.01374	2.4
61.93142	1.4
62.04351	1.4
76.24997	1.3
79.22746	1.6
109.98560	1.6
157.08687	28.2
158.09058	19.6
163.14902	10.2
164.15254	17.3
169.08652	7.2
170.09006	3.7
247.76141	1.6
260.24680	1.9
292.06091	3.6
304.23663	72.1
322.07199	2.2
322.21417	4.2
322.24677	100.0
324.89789	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2752
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
58.02966	2.3
72.04551	7.0
77.78730	1.6
78.18906	1.6
79.20566	1.8
86.02479	12.9
89.84917	1.9
100.04056	7.2
105.37959	1.6
153.40361	1.6
260.10483	1.9
292.06375	14.5
292.09174	1.8
302.25101	3.3
307.08505	7.2
320.25955	27.1
322.10779	8.3
322.24536	37.3
322.27576	100.0
334.06091	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.029
Annotation	Pseudouridine 5'-phosphate
Peak:m/z	Relative Intensity
54.09740	1.2
59.01384	55.1
71.01374	12.9
73.02954	2.3
78.95904	100.0
79.84623	1.0
85.02940	2.1
87.00876	11.6
89.02447	5.2
96.96960	62.7
101.02415	8.8
101.06048	1.4
111.02003	18.8
113.02425	6.4
119.03487	1.9
134.73172	1.2
138.98006	8.2
150.98051	5.3
161.04604	6.1
192.99104	2.6
211.00142	8.0
263.11383	29.3
323.02911	68.6
323.09641	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0565
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
59.01384	59.2
60.73269	0.8
63.15499	0.8
71.01378	9.8
71.05444	0.9
73.02966	1.6
78.95890	1.3
83.01337	1.0
83.37478	0.9
85.02940	2.2
89.02429	4.9
96.96016	1.0
101.02444	9.2
113.02441	4.4
117.78906	1.1
119.03492	1.5
126.03286	0.9
134.03857	1.1
161.04549	5.9
263.11404	24.0
265.01462	4.4
293.00974	100.0
293.06461	5.2
305.17438	1.3
308.03293	55.3
308.08969	3.9
323.05664	65.6
323.11496	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44258	0.4
59.01381	12.7
66.60601	0.5
71.01375	1.3
85.02936	0.7
85.47016	0.5
89.02437	1.0
101.02430	2.8
113.02417	0.9
117.85809	0.6
125.57616	0.5
147.08159	0.6
159.94516	0.6
161.04637	0.6
254.38144	0.6
263.11313	6.3
265.01349	5.7
275.70917	0.6
293.00946	100.0
308.03290	54.6
315.21729	0.6
323.05615	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54533	0.8
57.03443	1.5
59.01381	44.3
59.32194	1.0
71.01370	5.3
73.02935	1.4
85.02947	40.8
85.56904	0.9
88.04026	5.5
89.02447	2.1
90.79477	1.1
92.23043	1.0
101.02436	32.5
101.06072	1.7
113.02451	3.8
116.19392	1.0
117.03431	5.7
129.01938	100.0
134.03738	63.0
134.04553	1.2
137.02428	1.9
147.02960	6.6
149.06047	9.1
160.01624	1.5
161.04585	4.6
162.70842	1.1
175.04018	5.4
178.02681	5.6
190.08714	4.6
193.05055	70.1
263.11353	19.9
323.07748	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28586	0.5
59.01383	60.6
59.01665	3.3
62.90406	0.5
71.01376	5.2
71.01704	0.8
71.49365	0.4
73.02908	0.8
80.51341	0.4
83.01340	0.9
85.02896	2.8
87.02587	0.6
89.02403	2.3
99.00878	0.6
101.02436	6.2
113.02409	2.7
129.01888	0.5
150.35088	0.5
161.04509	3.2
263.11353	9.8
263.14883	2.8
265.03748	1.0
280.06161	32.2
291.05496	0.6
293.06860	0.6
294.07697	3.4
307.04959	0.9
308.05679	100.0
322.07269	1.0
323.08002	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
76.35799	0.4
85.02946	7.8
95.41255	0.4
129.01915	6.6
134.03728	3.1
149.06190	0.5
155.77248	0.4
165.97266	0.4
166.71339	0.5
178.02715	0.5
193.05058	3.3
231.24197	0.5
256.81699	0.5
263.11301	0.5
265.03815	0.8
268.66089	0.4
279.05426	0.4
280.06155	34.9
293.06628	0.4
294.07764	3.9
307.04794	1.0
308.05673	100.0
322.07257	2.3
323.08002	26.3
323.11102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47136	1.4
59.01383	100.0
59.31767	1.3
60.48277	1.4
62.04352	1.5
63.63902	1.2
66.94467	1.4
71.01376	31.8
72.99316	2.1
73.02921	2.5
75.00858	2.6
79.40546	1.4
80.96511	2.4
85.02952	8.0
86.19505	1.4
89.02435	32.3
99.04478	1.7
101.02447	26.2
102.44077	1.4
113.02447	14.4
119.03539	11.5
119.39854	1.7
143.03513	8.2
161.04573	11.3
173.04561	2.5
179.05597	9.3
191.05656	9.4
263.11346	25.1
282.56061	1.8
323.06219	2.7
323.09869	28.0
323.13480	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47136	1.4
59.01383	100.0
59.31767	1.3
60.48277	1.4
62.04352	1.5
63.63902	1.2
66.94467	1.4
71.01376	31.8
72.99316	2.1
73.02921	2.5
75.00858	2.6
79.40546	1.4
80.96511	2.4
85.02952	8.0
86.19505	1.4
89.02435	32.3
99.04478	1.7
101.02447	26.2
102.44077	1.4
113.02447	14.4
119.03539	11.5
119.39854	1.7
143.03513	8.2
161.04573	11.3
173.04561	2.5
179.05597	9.3
191.05656	9.4
263.11346	25.1
282.56061	1.8
323.06219	2.7
323.09869	28.0
323.13480	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01377	20.5
73.02939	5.0
83.01395	1.6
85.02942	7.0
89.02429	12.6
101.02431	17.4
113.02440	12.3
119.03519	4.2
122.06914	1.3
148.06381	1.4
161.04503	8.9
179.05771	1.3
184.22214	1.2
200.02826	1.2
209.91417	1.2
233.53142	1.3
248.17336	1.2
263.11377	50.6
279.92542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.50700	1.0
71.01382	19.9
71.01747	2.0
73.02947	2.7
83.01399	2.1
85.02934	5.1
85.70589	1.1
89.02448	12.8
91.78294	1.3
99.00822	1.3
101.02435	19.0
103.65402	1.0
113.02445	8.8
119.03493	5.8
159.03015	1.3
161.04503	12.5
179.05656	1.4
213.01497	1.3
235.16505	1.2
263.11371	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48244	0.7
59.01379	100.0
71.01374	17.4
73.02943	5.1
78.95900	12.9
83.01369	1.4
85.02949	8.9
89.02426	6.0
96.96958	6.0
99.00853	1.6
101.02425	14.8
101.06063	5.1
111.00840	1.8
111.01999	1.7
113.02436	11.1
114.27495	1.2
115.64031	0.9
119.03500	1.9
139.03319	1.0
143.03500	3.6
159.02995	1.2
161.04565	10.3
263.11353	40.6
314.12189	1.1
323.02835	8.7
323.09894	2.5
323.13574	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.03026	0.9
71.01377	15.1
73.02953	2.5
74.01523	0.9
83.01385	1.3
85.02949	5.3
89.02440	2.6
93.12347	1.4
101.02431	16.5
101.06064	4.2
105.77976	1.0
113.02439	8.5
121.26462	1.1
159.03046	1.1
161.04541	8.0
172.08920	1.3
224.47731	1.1
225.57640	1.4
248.80772	1.3
263.11368	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65916	1.0
53.62601	1.0
59.01383	25.4
60.33612	0.9
70.02963	7.4
71.01387	9.3
73.02930	1.3
85.02996	1.4
89.02435	2.3
96.00931	4.5
101.02440	4.6
109.06591	1.3
113.02425	1.9
114.01956	14.3
120.65514	1.1
128.07323	1.2
151.07571	1.9
152.00023	1.1
161.04486	2.3
162.12875	1.7
164.14447	23.1
171.10178	1.4
174.09621	1.2
190.12386	30.1
208.13435	100.0
209.05574	1.4
263.11298	12.8
279.17087	2.4
293.00827	2.8
293.06555	4.8
294.07443	2.0
295.07965	6.9
308.08942	1.9
323.05566	1.5
323.07846	1.9
323.11456	2.0
323.16110	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65916	1.0
53.62601	1.0
59.01383	25.4
60.33612	0.9
70.02963	7.4
71.01387	9.3
73.02930	1.3
85.02996	1.4
89.02435	2.3
96.00931	4.5
101.02440	4.6
109.06591	1.3
113.02425	1.9
114.01956	14.3
120.65514	1.1
128.07323	1.2
151.07571	1.9
152.00023	1.1
161.04486	2.3
162.12875	1.7
164.14447	23.1
171.10178	1.4
174.09621	1.2
190.12386	30.1
208.13435	100.0
209.05574	1.4
263.11298	12.8
279.17087	2.4
293.00827	2.8
293.06555	4.8
294.07443	2.0
295.07965	6.9
308.08942	1.9
323.05566	1.5
323.07846	1.9
323.11456	2.0
323.16110	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.70107	0.4
69.52125	0.5
71.01390	2.1
72.92189	0.4
73.02956	1.0
75.52343	0.4
85.02954	3.1
89.02419	0.6
96.96010	8.2
101.02408	3.9
113.02455	3.2
113.32382	0.6
119.75993	0.5
141.94614	0.5
148.75665	0.5
161.04576	2.2
179.03442	0.6
252.93456	0.6
263.11432	7.9
263.15018	6.2
308.05789	3.6
323.08118	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1867
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
52.80366	3.9
57.03464	10.9
59.01373	24.2
63.60780	3.5
66.49450	4.4
68.62745	4.2
69.03462	5.0
71.05025	33.2
81.03430	5.7
83.01382	7.2
83.05019	26.6
84.02165	22.5
94.71111	4.1
95.05013	100.0
97.06577	9.9
107.05043	5.5
107.56850	5.4
109.06605	9.1
109.70563	4.3
111.04527	7.0
113.06071	76.0
113.32568	4.4
125.06014	4.7
125.09698	19.5
129.08867	4.4
135.08157	26.3
151.07616	5.6
171.10278	23.1
195.13898	5.4
205.15968	4.9
205.99869	4.6
209.11884	69.2
231.13841	8.0
236.59775	4.6
237.14957	88.1
237.17114	6.5
243.17635	5.3
253.73933	5.1
259.17273	5.1
261.18579	5.8
265.14325	10.0
287.16562	44.3
305.17572	75.2
323.18616	73.8
337.49728	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
60.76782	0.6
71.01384	1.1
71.62916	0.6
85.02940	0.8
137.06021	0.7
165.12817	1.3
173.47089	0.7
191.14415	0.7
191.43353	0.7
237.14766	0.7
261.22287	6.4
263.11380	4.5
279.23309	1.3
287.20099	0.9
305.21262	100.0
323.22299	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.11908	0.6
57.03449	0.7
59.01102	1.2
59.01384	26.3
69.08549	0.6
70.14745	0.5
71.01373	4.3
73.02940	1.3
74.85358	0.7
81.07103	0.9
85.02944	2.6
89.02458	1.4
92.23121	0.7
96.96030	1.4
101.02457	4.6
101.06062	0.7
107.08665	2.7
113.02436	1.5
113.81115	0.6
125.09697	1.5
151.07632	1.1
153.09238	3.1
158.44621	0.7
161.04558	2.5
162.10583	0.6
164.97292	0.7
165.12868	2.6
171.10245	6.4
179.10675	0.7
185.11844	0.8
195.10347	1.0
199.09778	0.6
201.11316	0.9
209.11751	0.8
217.15829	0.8
252.16115	0.7
261.22263	5.3
263.11371	14.4
279.19580	1.0
279.23389	1.0
287.22333	2.6
304.29178	0.7
305.21243	100.0
317.56625	0.6
323.18634	17.8
323.22302	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22856	0.6
51.37637	0.6
56.98589	0.6
58.99215	0.6
59.01384	38.1
59.38100	0.6
64.98189	0.6
71.01369	5.6
71.18291	0.6
73.02941	1.0
78.57203	0.6
83.01412	0.7
85.02954	1.4
89.02469	4.2
90.36134	0.7
94.89844	0.7
99.00948	0.7
101.02439	6.6
101.06059	1.1
111.26432	0.7
113.02461	3.0
113.09733	1.0
119.03551	1.0
119.75484	0.8
127.08806	0.7
127.11256	1.5
157.08720	0.9
159.34534	0.7
161.04619	4.1
191.10815	1.0
217.80434	0.7
223.17062	5.8
241.13853	0.8
247.20703	1.1
263.00735	0.7
263.11392	17.6
291.19702	9.5
305.24820	9.2
323.22409	100.0
323.26077	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37821	0.6
59.01382	16.5
69.94289	0.7
71.01389	2.9
75.23396	0.7
77.36430	0.6
82.05737	0.6
85.02943	1.0
89.02445	0.8
93.89046	0.6
99.54336	0.8
101.02443	3.1
113.02440	1.3
113.09694	0.8
121.10146	0.7
127.11275	0.9
139.11278	0.8
161.04546	1.3
186.08380	0.9
223.17088	1.1
247.20679	1.5
263.11356	8.7
291.19699	11.7
300.33350	0.9
305.24911	3.0
323.22336	100.0
323.25861	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47418	1.3
54.87492	1.0
59.01380	27.7
67.60290	1.1
68.33614	1.1
71.01384	2.1
73.02937	1.3
85.02944	1.5
89.02461	1.6
93.40997	1.0
101.02442	1.7
113.02437	1.8
135.89252	1.1
161.04572	2.4
165.12895	1.2
165.48215	1.2
261.22281	7.3
263.11389	10.5
279.23300	1.6
295.47089	1.4
302.84186	1.2
305.21262	100.0
323.18506	1.7
323.22247	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53735	0.8
52.92027	0.9
53.74736	0.8
58.02971	9.6
59.01381	47.4
61.82914	1.1
64.57448	0.9
70.86388	0.9
71.01373	8.2
71.04977	1.1
73.02943	1.4
83.01400	1.0
85.02945	4.4
89.02438	2.5
96.96019	1.3
101.02439	9.2
103.85028	1.0
109.06612	1.0
113.02459	2.2
119.03551	1.1
137.09703	2.5
142.12343	4.3
152.10785	5.8
153.09267	1.4
161.04547	3.9
170.11859	19.4
181.12315	1.2
191.80347	0.9
198.15015	8.7
202.66956	1.0
206.96878	1.2
221.11850	2.4
223.13376	1.9
224.20152	1.8
227.62628	1.0
236.20287	1.7
239.13025	1.3
249.14885	2.0
251.12843	4.2
263.11377	21.1
277.22910	9.6
287.16489	2.4
287.21359	4.8
288.19601	1.3
293.06522	1.8
305.17471	9.7
305.22302	11.4
323.18796	9.2
323.23404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
52.07788	0.9
52.43746	0.6
53.93897	0.8
59.01376	9.9
78.94986	0.8
83.15169	0.8
88.19030	0.9
97.75194	0.9
101.02427	1.9
117.41246	0.9
179.91922	0.9
263.11374	4.5
287.76205	0.8
323.25940	100.0
344.56741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	15-HEDE
Peak:m/z	Relative Intensity
58.51346	1.4
59.01380	100.0
60.94509	1.3
62.12239	1.4
62.93728	1.8
71.01376	9.7
73.02930	2.8
83.01380	1.9
85.02946	3.7
89.02435	6.5
101.02428	18.6
101.06049	2.6
113.02451	10.2
119.03419	3.0
143.03546	1.8
161.04541	8.9
193.62802	1.9
241.21783	12.1
263.11356	43.7
295.25983	2.3
314.19141	1.6
321.05667	1.7
323.13507	1.9
323.22159	7.1
323.25861	62.3
330.74649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2594
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
54.05761	0.8
59.01378	9.0
66.46101	0.8
71.01418	0.8
86.33846	0.7
89.02419	0.9
91.84175	0.7
101.02426	0.7
101.33905	0.8
113.09688	1.1
146.77127	0.8
161.04495	0.8
199.13412	17.3
206.19225	0.8
223.17044	8.3
263.11313	4.7
279.23343	1.0
305.21567	1.5
305.24887	35.0
323.25925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
59.01380	51.0
61.27089	0.9
71.01373	10.0
72.02064	0.9
72.13757	0.9
73.02916	1.8
85.02941	2.0
87.00874	0.9
89.02463	2.5
96.16077	1.0
101.02444	8.0
113.02445	5.4
119.03390	1.3
149.19118	1.0
161.04532	4.3
179.14423	1.5
263.11356	25.9
305.24921	2.2
313.08481	1.1
323.20023	4.7
323.25922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2959
Annotation	Henicosane
Peak:m/z	Relative Intensity
59.01372	1.8
62.59035	0.4
77.14480	0.4
98.31287	0.4
101.02390	0.5
138.76921	0.4
168.82288	0.4
236.33189	0.5
323.29584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0516
Annotation	Aristolochic acid II methyl ester
Peak:m/z	Relative Intensity
59.01382	9.8
60.01711	1.6
62.09113	0.8
62.63843	0.8
84.95104	0.9
92.50652	1.0
101.02419	1.1
124.78839	0.9
144.73653	1.0
146.55913	1.0
194.06117	1.1
198.05580	0.9
206.06078	0.9
209.06050	1.1
212.07178	1.0
222.05487	0.9
223.06392	83.7
224.07155	31.6
237.04233	1.1
241.32976	1.0
250.05142	1.8
251.05867	9.8
252.06683	100.0
264.11740	6.4
296.05664	36.4
306.21555	13.7
324.05173	55.1
324.22711	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69400	0.9
59.01376	4.4
61.82534	1.0
68.99819	12.4
71.01389	0.9
73.37300	1.0
75.69579	1.1
76.50607	1.0
76.91457	0.9
79.16801	1.1
86.02470	100.0
101.54508	1.1
109.02934	6.7
137.02438	97.7
148.01669	1.7
149.02444	5.3
179.03514	1.7
201.16312	1.2
207.03015	14.1
213.06299	1.2
219.02890	2.4
225.04033	55.2
229.50446	1.2
236.05655	2.6
247.02496	1.5
263.11618	1.5
307.04681	7.7
309.06494	5.1
309.09802	1.7
324.07101	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0877
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
59.01333	0.7
83.40386	0.4
96.30952	0.3
109.28265	0.4
132.58473	0.3
177.70198	0.4
205.21056	0.3
212.66731	0.4
262.61484	0.4
267.54568	0.4
293.00723	0.5
294.01279	5.3
294.04211	1.7
308.05667	12.2
309.06476	100.0
324.08835	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.088
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
59.01380	2.2
70.24574	0.4
71.21980	0.3
74.10761	0.4
82.82767	0.4
83.41505	0.4
92.22585	0.8
93.30260	0.5
101.00298	0.4
101.21619	0.3
118.95529	0.4
263.96609	0.4
284.51215	0.4
292.06363	0.4
294.04089	1.0
308.05676	10.9
309.06464	100.0
324.08798	44.9
324.14499	0.7
324.18768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0879
Annotation	Stigmalactam
Peak:m/z	Relative Intensity
56.73780	0.8
59.01386	6.8
71.01387	0.9
74.83850	0.8
77.66117	0.9
79.05537	1.7
95.05029	1.8
108.02175	8.2
109.03046	1.0
119.05019	4.8
121.02924	1.0
122.03763	7.8
123.04512	27.9
136.01672	7.7
147.04446	1.7
149.02429	1.1
151.04012	22.0
152.82626	0.9
223.07710	0.9
248.07335	1.3
249.07993	1.1
250.08794	2.2
264.11765	5.1
265.07416	1.3
266.08289	1.6
276.06628	1.7
277.07571	1.7
277.36066	1.0
278.08151	2.0
279.06656	4.7
294.07837	5.2
306.07892	3.6
307.05930	1.5
324.08804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79463	0.5
59.01370	3.2
59.42830	0.5
101.18401	0.5
118.49176	0.5
121.02931	0.8
121.81639	0.8
128.60834	0.6
159.03226	2.5
160.04062	1.0
162.37849	0.6
180.92206	0.6
235.06178	0.6
238.05095	1.4
250.05107	6.8
257.02673	0.6
262.04965	0.6
265.03973	0.5
266.04590	8.7
278.04620	1.3
279.05435	0.8
280.06216	8.6
290.04602	0.9
292.06009	0.7
293.03391	1.3
294.04105	17.7
294.06808	1.2
308.05679	45.6
309.06464	8.0
309.09384	0.9
324.08801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79463	0.5
59.01370	3.2
59.42830	0.5
101.18401	0.5
118.49176	0.5
121.02931	0.8
121.81639	0.8
128.60834	0.6
159.03226	2.5
160.04062	1.0
162.37849	0.6
180.92206	0.6
235.06178	0.6
238.05095	1.4
250.05107	6.8
257.02673	0.6
262.04965	0.6
265.03973	0.5
266.04590	8.7
278.04620	1.3
279.05435	0.8
280.06216	8.6
290.04602	0.9
292.06009	0.7
293.03391	1.3
294.04105	17.7
294.06808	1.2
308.05679	45.6
309.06464	8.0
309.09384	0.9
324.08801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
71.01390	0.8
85.18630	0.7
121.02929	1.1
133.94855	0.7
135.16579	0.7
159.03149	0.9
160.04066	1.2
171.98511	0.7
192.25148	0.8
238.05107	1.8
241.43613	0.7
250.05142	8.1
263.05826	0.9
264.11600	1.6
266.04630	10.8
278.04633	1.7
279.05502	0.8
280.06189	11.1
293.03442	1.6
294.04138	25.1
308.05698	53.9
309.06433	9.7
324.08798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2184
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
56.47596	0.8
58.86034	0.7
59.01377	8.6
65.11926	0.9
83.05006	1.2
89.02472	1.0
96.95994	1.4
125.09695	1.5
127.11275	4.6
137.09743	4.8
169.08675	1.8
171.10234	4.0
206.61603	1.0
235.20691	4.8
245.19064	1.0
263.20227	13.4
264.11749	2.2
278.21298	1.4
279.19690	16.1
289.18118	3.6
306.20853	5.6
307.19135	10.9
324.18869	4.9
324.21841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54329	10.4
59.01373	100.0
59.66982	10.3
61.03773	11.1
71.36700	12.5
107.69413	11.8
115.85542	12.4
118.59859	18.6
121.13551	13.2
135.17476	14.9
141.22839	14.4
264.11768	64.2
324.22528	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54329	10.4
59.01373	100.0
59.66982	10.3
61.03773	11.1
71.36700	12.5
107.69413	11.8
115.85542	12.4
118.59859	18.6
121.13551	13.2
135.17476	14.9
141.22839	14.4
264.11768	64.2
324.22528	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2546
Annotation	5-Oxo-ETE-d7
Peak:m/z	Relative Intensity
50.89980	0.4
57.55205	0.4
59.01366	2.9
64.64689	0.4
71.01370	0.7
88.04034	100.0
187.70612	0.6
264.11758	0.7
296.10574	0.5
299.85098	0.4
324.25464	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36663	0.5
54.50793	0.5
59.01365	0.6
61.33180	0.4
70.37091	0.5
73.86768	0.5
79.53558	0.6
109.57083	0.6
111.35440	0.6
119.05019	95.5
145.03043	1.0
163.04012	100.0
176.04788	3.9
191.07146	3.1
325.09488	4.3
342.73181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.46529	1.1
59.01383	25.7
61.15008	1.1
63.56828	1.1
71.01367	3.1
77.05244	1.1
83.05035	1.4
83.95894	1.5
89.02447	6.5
101.02411	2.6
104.95752	1.5
108.74176	1.3
119.05046	14.0
130.12819	1.4
133.02956	2.8
135.04510	2.2
145.02951	7.2
149.02473	18.0
161.02426	3.1
163.04019	27.1
164.04802	38.8
166.02681	1.7
175.00397	11.3
177.01814	1.7
177.05606	5.6
178.06424	6.5
179.07126	17.9
190.02725	84.3
191.03537	18.4
193.01288	2.0
193.08827	1.7
205.05078	96.0
206.05870	54.8
207.02977	19.5
208.03802	13.8
209.04634	5.2
221.08202	34.0
223.06119	41.5
235.02499	2.4
237.07597	1.9
247.06200	3.4
250.04836	22.2
251.05722	5.4
265.07178	65.5
295.04730	3.1
325.05496	3.2
325.09360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.28728	0.4
77.46425	0.5
81.38003	0.5
119.05017	99.5
145.02985	0.6
153.92169	0.5
163.04008	100.0
325.09320	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38419	0.3
96.72507	0.4
110.96755	0.4
111.12783	0.4
119.05019	100.0
145.02934	1.8
163.04013	97.1
325.09283	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01379	1.4
59.57376	0.5
65.49831	0.7
80.21618	0.6
81.91501	0.6
119.05019	100.0
127.07779	0.6
163.04012	96.2
302.21805	0.6
325.09381	4.4
325.12869	0.9
333.36264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01383	24.3
60.01717	1.2
61.01814	1.4
62.61404	0.3
69.97607	0.3
71.01382	2.9
71.32111	0.3
73.02928	0.7
79.72634	0.3
83.01392	0.4
85.02970	1.5
87.00894	0.4
89.02392	0.4
101.02431	3.1
101.02970	0.2
111.46594	0.3
113.02443	0.6
119.05020	100.0
120.04627	0.3
145.02924	0.5
148.60643	0.3
159.17151	0.3
161.04558	1.5
163.04013	69.5
168.19713	0.3
176.04695	0.3
189.05623	0.3
205.05176	0.3
243.39021	0.3
265.13034	5.7
325.09454	1.3
325.20316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70818	0.6
59.01380	1.5
62.55419	0.7
80.96508	0.9
82.43615	0.8
96.96022	1.7
99.90250	0.7
117.03463	7.6
120.64314	0.8
130.38995	0.7
134.03737	100.0
140.33330	0.8
149.04558	5.3
149.06071	9.6
170.23828	0.7
177.26009	0.8
180.37527	0.8
193.05067	94.8
195.04478	0.9
209.11819	1.4
281.06937	3.4
325.05701	1.0
325.09387	16.2
325.12985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60323	0.4
59.01386	0.4
75.28986	0.4
78.94524	0.5
78.95901	25.1
96.96954	4.2
125.34708	0.5
150.98018	0.9
152.99585	100.0
171.00642	3.9
171.10277	5.6
325.10614	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1062
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
52.58321	0.4
65.03403	0.4
69.67115	0.4
69.92677	0.4
78.41492	0.5
78.95901	40.2
96.96962	3.4
105.13651	0.5
134.03697	0.6
145.45668	0.5
150.98077	1.1
152.99585	100.0
155.45245	0.5
171.00656	2.5
171.10263	8.0
171.80113	0.5
267.06631	1.0
282.09009	0.7
295.06155	7.2
310.08383	3.3
325.10623	30.2
325.17102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1077
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
55.92644	0.6
59.01385	0.7
60.26038	0.6
63.57518	0.6
63.74235	0.6
77.02944	0.6
79.95724	2.4
80.96533	1.0
106.98084	1.4
119.04995	0.8
124.00729	26.0
131.04669	0.7
146.08284	0.8
149.57607	0.7
163.03955	0.7
172.63264	0.7
173.46051	1.0
178.01782	3.3
195.04440	17.1
223.03949	18.4
247.37743	0.7
325.10770	100.0
325.69308	0.7
331.69998	0.7
333.48514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1085
Annotation	Egonol
Peak:m/z	Relative Intensity
59.01385	2.9
75.43945	0.5
80.44353	0.6
152.32538	0.7
152.39565	0.6
152.99632	2.8
164.08308	0.6
167.06166	3.4
171.10252	0.8
193.07706	1.2
209.07231	32.8
209.09169	1.2
212.58572	0.8
215.12918	0.9
235.08896	2.8
237.05669	3.0
238.06497	0.8
239.07346	1.0
245.07239	4.2
249.05679	3.3
249.14914	0.9
251.03535	1.2
251.07082	0.8
253.05373	0.8
257.57523	0.7
263.08304	12.8
265.05264	0.9
266.05814	1.6
267.06641	23.6
277.05072	1.6
279.06705	1.0
281.08545	1.3
289.18405	5.2
295.06143	100.0
307.07361	1.1
307.19382	1.3
309.07828	3.9
310.08493	30.0
325.10950	77.2
325.19949	6.6
336.66962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1085
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
52.65788	0.6
53.46035	0.7
53.53163	0.6
59.01367	1.3
63.99632	0.7
67.60125	0.7
72.86533	0.7
78.95904	0.7
164.55653	0.8
171.58839	0.9
195.08313	0.9
195.10355	1.4
197.47972	1.0
211.07587	1.8
223.07784	1.3
225.09189	1.7
239.07138	3.7
253.08694	32.5
265.12506	1.1
267.06659	100.0
281.09293	3.4
282.09009	45.2
295.06110	16.6
300.31213	1.0
307.19229	1.4
309.07675	1.0
310.08481	22.8
325.10858	95.1
325.19849	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19996	0.8
58.69961	0.9
58.90824	0.8
59.01375	1.2
59.19836	0.8
61.28137	0.9
87.62018	1.0
92.23151	1.0
108.92624	1.1
119.04997	3.7
163.03920	1.4
168.85579	1.1
176.04784	6.1
191.07227	2.1
224.04799	33.2
239.07056	7.4
251.03503	2.0
252.04282	35.9
267.06720	12.0
282.11356	22.5
305.97025	1.0
310.10876	100.0
325.13217	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1659
Annotation	Botryaloic acid acetate
Peak:m/z	Relative Intensity
58.62889	1.8
58.76216	1.9
71.05022	2.3
95.05042	3.7
99.04568	2.3
103.11791	2.2
109.06598	3.3
139.11275	3.0
153.12856	3.7
183.10263	4.3
185.11932	3.5
197.11809	10.0
209.18993	2.5
213.11441	2.6
215.12935	19.4
219.17491	3.9
224.05029	2.1
225.15007	3.6
237.15028	2.4
237.18585	49.1
249.14944	2.6
253.18062	3.3
263.16586	43.6
268.79407	2.1
270.93454	2.5
281.17596	100.0
289.18124	10.7
307.15738	3.0
307.19250	10.3
325.16553	42.3
325.20264	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.41974	1.0
59.01390	2.1
63.78750	1.0
72.06795	1.1
72.32793	1.1
78.95926	1.7
122.03719	1.7
126.08472	1.0
129.09219	2.2
165.12907	1.6
167.14452	4.9
193.16066	6.8
207.17566	2.1
230.90265	1.2
233.15576	1.4
247.17087	1.2
249.16019	1.5
249.18602	44.7
255.23343	2.2
275.16550	35.7
275.19510	1.6
281.21347	5.7
291.77185	1.2
293.17642	80.2
307.19247	4.9
307.22812	1.5
325.20343	100.0
325.23865	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.90372	1.6
56.55579	1.6
57.03433	2.9
59.01381	3.3
69.12496	1.8
71.05009	2.7
81.03463	2.8
90.65457	2.0
97.06559	4.6
97.54295	2.0
99.08150	4.0
106.10527	2.2
117.47309	2.0
122.03691	4.4
125.09686	4.0
130.85870	2.1
137.09752	2.7
152.99524	2.2
155.10713	2.3
165.12811	10.8
167.14400	66.9
179.14438	2.4
183.01181	4.4
193.15994	37.1
197.02786	3.6
207.17531	41.2
231.17409	2.1
233.15506	2.7
249.18607	79.9
275.16577	21.2
281.21191	45.5
289.18134	3.9
293.17661	27.7
307.19205	73.4
325.20096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03440	1.1
59.01378	1.3
71.05022	2.1
91.59161	1.1
97.06549	1.3
109.06622	1.5
111.08131	2.1
119.06515	1.2
125.09709	6.4
137.09703	7.8
168.74048	1.2
169.12361	1.3
171.10271	5.4
183.10295	1.7
183.13826	2.1
195.13918	1.4
197.11942	1.6
235.20706	5.0
245.18927	4.6
263.20154	19.3
279.19659	25.1
289.18228	10.3
307.19177	20.5
313.93240	1.1
319.25812	1.2
325.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2178
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.37754	0.5
58.23214	0.5
59.01400	0.5
87.00880	1.2
91.04900	0.5
92.23103	0.6
117.24418	0.5
149.09718	66.2
163.11290	79.5
163.30338	0.6
209.11916	0.7
263.20428	0.5
325.21768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	Confluentin
Peak:m/z	Relative Intensity
50.78447	0.8
53.46288	0.6
54.64581	0.6
66.01477	0.7
68.57272	0.6
69.45004	0.8
74.43610	0.6
85.94161	0.8
87.00854	3.9
165.29149	0.7
173.06131	1.1
192.73880	0.8
199.07663	1.5
201.09195	12.3
203.10725	1.4
210.42621	0.8
213.09186	1.6
227.10745	1.3
241.12393	6.6
255.13947	4.1
256.14703	100.0
295.56256	0.9
310.19348	5.1
325.18741	2.2
325.21725	42.4
325.24533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
59.80452	0.9
72.54195	1.0
74.52084	0.9
87.00877	1.4
115.07608	1.3
120.51706	1.0
121.10237	2.5
123.08169	1.2
139.11308	18.1
151.11252	4.7
153.12892	1.7
171.10289	16.7
177.12872	6.3
178.83574	1.2
183.01265	1.9
183.10226	3.9
191.32639	1.2
209.11880	4.3
230.50215	1.1
241.00349	1.2
263.23740	7.7
275.20303	1.8
293.21237	7.5
307.19229	5.9
307.22842	23.4
311.15503	1.1
325.18173	16.9
325.23892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14816	0.4
56.88133	0.6
59.01370	1.0
71.01379	10.0
87.00879	0.8
89.02438	51.8
158.43678	0.6
164.53096	0.6
174.06372	0.7
186.06818	0.8
212.74899	0.7
253.21751	100.0
325.17978	1.0
325.20587	1.6
325.21533	2.2
325.24353	9.1
325.27475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
62.21190	0.8
87.00890	0.8
90.05572	0.8
103.15237	0.8
144.15607	0.8
155.10777	30.8
169.15923	1.0
279.23315	27.9
297.24371	74.1
307.26462	18.3
325.18665	1.8
325.24075	5.5
325.27487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46074	1.1
56.84534	0.9
57.03458	1.7
59.01381	2.1
60.86326	1.0
62.63998	1.0
64.28135	1.0
65.88577	1.0
77.48242	1.1
84.51920	0.9
87.00861	1.9
90.96373	1.1
94.44239	1.1
161.76962	1.2
197.15424	1.5
249.22243	100.0
262.78766	1.1
293.21259	79.7
307.26498	9.3
325.18698	4.4
325.23816	76.8
325.27530	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
55.08320	0.8
59.01383	100.0
64.76138	0.8
90.15353	1.0
103.10569	1.0
107.83909	1.1
213.98232	1.1
281.27939	1.3
325.27502	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	2-Oxophytanate
Peak:m/z	Relative Intensity
63.22843	0.3
63.23230	0.3
64.56614	0.4
75.31065	0.5
76.48525	0.4
87.00858	0.6
92.22494	0.6
94.39835	0.5
96.90707	0.4
104.34374	0.5
117.41772	0.4
118.55139	0.5
130.01416	0.5
176.82556	0.5
200.24664	0.5
234.96231	0.5
239.34071	0.4
276.98325	0.4
277.25162	0.8
279.26944	70.4
281.28394	0.7
307.26437	0.8
325.18872	6.0
325.27512	100.0
340.71848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
60.87845	0.7
69.69231	0.7
87.00848	6.3
115.67807	0.7
129.44255	0.8
185.11819	7.5
249.22255	4.0
281.24905	1.1
293.21304	3.1
307.26459	19.8
325.24033	5.8
325.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46794	0.3
57.79757	0.4
59.01368	0.8
59.20181	0.3
72.65736	0.4
74.36921	0.4
74.88438	0.4
79.83057	0.4
87.00856	2.4
92.23126	0.4
141.12859	0.5
170.05032	0.4
197.15479	4.9
209.22945	0.4
213.55380	0.5
222.79623	0.4
249.22238	16.5
290.04758	0.4
293.21301	10.6
307.26434	15.4
323.26001	0.7
325.18887	2.5
325.23889	11.4
325.27463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62062	0.3
61.70190	0.4
63.89870	0.3
66.87078	0.3
67.06981	0.4
100.40430	0.5
135.90907	0.4
141.12823	2.0
155.14410	1.5
158.99098	0.5
159.32405	0.4
167.56767	0.4
173.08716	0.4
183.13884	8.0
199.13417	2.3
226.39336	0.5
270.35590	0.5
307.26443	14.2
323.25919	2.4
325.27496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	2-Oxophytanate
Peak:m/z	Relative Intensity
56.74370	0.8
57.74721	0.7
60.69856	0.9
69.03436	1.1
71.05014	7.7
85.72411	0.7
87.53293	0.9
88.45747	0.7
89.61876	0.7
92.27337	0.9
100.67969	0.9
127.02749	0.8
129.42839	0.7
162.91641	0.9
163.12737	1.0
172.57893	0.9
239.23763	1.1
279.26984	1.5
281.28522	19.7
325.27518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23827	0.4
69.72100	0.4
76.50831	0.4
76.52441	0.4
87.88750	0.4
92.23029	0.5
97.63520	0.4
101.27399	0.4
103.84048	0.4
127.11275	2.6
171.10275	15.2
198.31708	0.4
279.23148	1.5
281.24933	1.0
297.24442	7.6
307.26462	19.4
323.26028	1.0
325.27509	100.0
341.11502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88884	1.2
58.05645	1.1
58.55025	1.1
59.01380	1.7
72.35423	1.5
107.39313	1.5
112.43402	1.5
127.11274	6.6
171.10254	26.8
279.23291	19.1
297.24365	79.3
307.26456	16.9
325.18408	8.1
325.24368	3.8
325.27502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
71.05021	0.6
72.99309	6.6
87.00886	3.6
110.40678	0.5
125.04811	0.4
136.28078	0.5
153.12868	0.8
155.14397	1.1
199.13412	13.6
263.23904	5.0
263.26260	0.6
281.24796	2.0
283.13873	0.5
289.25391	0.7
297.24493	0.8
307.22797	13.0
307.26456	15.4
323.26169	1.1
325.24094	6.1
325.27496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
59.01374	1.6
78.39196	1.2
87.00848	5.7
93.02750	1.3
118.63823	1.4
125.09705	1.6
154.45573	1.3
199.13301	4.7
199.89929	1.2
239.23900	2.4
266.58231	1.5
281.28455	2.6
302.80194	1.5
307.19199	1.8
307.26392	8.1
313.30756	1.4
325.18613	6.9
325.27512	100.0
337.30539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3115
Annotation	heneicosanoic acid
Peak:m/z	Relative Intensity
50.49744	0.3
56.09967	0.3
72.74825	0.4
77.83437	0.4
96.36530	0.4
165.91055	0.4
237.58849	0.4
276.76529	0.4
325.31146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31549	0.5
61.98808	0.6
65.62769	0.5
99.60398	0.5
119.80138	0.5
134.04736	0.7
140.02042	3.7
141.99980	1.1
161.77469	0.6
168.84402	0.5
184.01024	100.0
326.02353	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72556	0.7
55.29462	0.6
59.01402	0.8
59.94637	0.6
61.97309	0.6
62.20357	0.6
62.30930	0.6
65.00315	0.7
65.23621	0.6
67.01901	0.6
74.04754	0.7
81.03452	1.4
91.01903	0.8
96.56703	0.9
102.05609	26.9
109.02938	10.1
122.25419	0.7
124.04044	9.8
128.03532	41.9
135.00882	16.8
146.04591	100.0
148.07642	0.7
152.03516	6.5
153.01920	4.8
166.08760	1.3
178.99899	6.8
210.07704	4.4
236.05708	1.5
238.07149	1.3
254.06773	5.7
282.06354	5.1
326.05212	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72556	0.7
55.29462	0.6
59.01402	0.8
59.94637	0.6
61.97309	0.6
62.20357	0.6
62.30930	0.6
65.00315	0.7
65.23621	0.6
67.01901	0.6
74.04754	0.7
81.03452	1.4
91.01903	0.8
96.56703	0.9
102.05609	26.9
109.02938	10.1
122.25419	0.7
124.04044	9.8
128.03532	41.9
135.00882	16.8
146.04591	100.0
148.07642	0.7
152.03516	6.5
153.01920	4.8
166.08760	1.3
178.99899	6.8
210.07704	4.4
236.05708	1.5
238.07149	1.3
254.06773	5.7
282.06354	5.1
326.05212	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67046	2.6
59.01377	24.7
61.02367	3.3
61.30487	2.9
68.43143	3.0
76.21886	3.0
92.32374	3.4
123.26547	3.1
150.02821	5.5
152.66341	3.5
163.04033	5.3
164.04697	20.8
165.05138	20.8
178.05922	3.4
179.06961	4.4
180.07484	7.7
190.02748	30.1
191.03091	53.3
192.03851	8.8
205.05051	25.3
206.05438	68.9
207.06221	28.6
208.03450	6.1
209.04198	4.3
221.08109	5.5
222.08609	28.2
223.06058	6.1
224.06490	26.0
236.02953	5.0
250.04987	5.6
251.05211	22.5
265.07288	6.2
266.07553	50.0
326.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1037
Annotation	(-)-Stephadiolamine beta-N-oxide
Peak:m/z	Relative Intensity
51.21547	0.5
75.35395	0.6
92.17690	0.6
107.83213	0.7
130.08713	0.6
135.03349	0.7
135.04478	0.6
146.03740	1.1
160.04034	11.3
161.04729	0.7
162.01955	0.8
176.79565	0.6
188.03532	0.7
188.70724	0.7
197.03131	0.6
240.06635	2.5
251.66818	0.6
252.06686	8.2
259.78354	0.6
268.06183	12.1
279.05576	0.8
280.06152	21.2
281.07053	0.8
282.07724	3.8
283.06018	1.2
283.08728	1.2
293.06943	0.7
294.07791	1.1
295.04889	7.5
296.05695	41.2
299.09122	0.9
310.07263	30.3
311.08069	9.1
326.10382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28312	1.2
54.74436	1.4
59.01381	2.2
65.00316	6.6
70.68599	1.5
77.03971	10.3
92.40354	1.6
93.03449	9.1
109.02953	8.2
112.98555	1.5
119.05016	2.6
119.93454	1.8
120.05264	1.6
121.02954	51.3
147.04478	1.8
163.04100	2.1
164.04391	2.6
174.05627	7.7
176.07191	3.5
178.05089	9.9
202.05151	3.4
204.06703	7.0
208.81764	1.5
225.05348	2.5
239.07149	1.8
240.07172	1.5
243.45450	1.7
253.04797	8.7
256.09924	1.8
268.07281	8.0
269.06961	2.7
282.11169	2.7
283.11664	1.7
284.09351	13.0
296.09320	2.9
311.07892	2.0
311.11505	38.2
326.10318	100.0
326.13846	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18170	1.4
59.01385	1.4
72.33038	1.3
82.61548	1.4
87.40407	1.5
92.17765	1.3
94.29447	1.4
96.06087	1.7
138.03177	1.9
153.05571	2.6
160.03995	7.2
160.05304	1.9
162.05647	2.7
173.04808	2.9
178.44984	1.4
209.04933	1.9
224.07220	22.3
225.07980	3.3
240.10403	2.0
251.05763	7.7
252.06697	40.7
266.08200	11.9
267.08914	3.6
268.06125	1.9
278.04608	8.5
280.06207	2.2
281.06900	2.2
282.11377	46.5
293.06982	2.4
294.07779	2.4
296.05695	95.9
310.07288	2.3
311.08148	17.0
311.11414	2.6
326.10361	100.0
326.13696	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45818	0.2
59.01386	4.8
62.55496	0.2
71.01347	0.2
75.14508	0.2
81.11870	0.2
107.03640	0.4
114.65322	0.3
116.57175	0.2
134.04732	100.0
142.05710	0.2
172.53149	0.2
266.08997	5.0
325.06076	0.3
326.12201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41980	0.4
56.65433	0.4
57.58598	0.4
59.01391	0.5
72.00900	4.3
73.02952	2.2
99.08488	0.5
101.02438	14.0
144.08189	2.8
147.04520	21.4
149.06059	1.2
164.07179	100.0
206.08191	2.8
236.09315	10.8
248.09302	1.3
278.10278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57281	0.3
58.89844	0.4
59.01374	0.5
68.61154	0.3
72.00910	5.0
73.02933	2.5
97.87623	0.4
101.02441	14.2
144.08189	2.6
145.21417	0.5
147.04521	23.5
149.06073	2.1
164.07181	100.0
206.08299	3.3
236.09317	11.2
248.09245	0.8
266.10162	0.5
271.12363	0.4
326.12595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11636	0.4
78.83549	0.5
88.04032	100.0
123.57780	0.4
134.71986	0.4
177.92902	0.4
261.70450	0.5
277.45224	0.4
301.57642	0.5
305.47314	0.4
326.27039	54.8
349.61441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.9613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.2
72.99308	2.4
75.00862	1.6
76.81873	1.0
79.02960	1.0
87.00873	2.6
101.00960	1.4
115.00366	1.8
129.00511	3.8
130.98360	4.3
142.96634	1.3
154.98314	9.2
172.99413	56.3
173.00923	2.1
173.04457	1.4
186.97426	10.1
191.05579	10.9
208.40034	1.0
210.95042	35.9
215.00497	14.9
228.96059	7.1
228.98312	5.9
266.94003	100.0
284.95074	49.9
284.98117	2.4
326.96115	71.7
327.09167	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Irisoid A
Peak:m/z	Relative Intensity
55.80554	0.6
56.25089	0.7
59.01377	1.2
70.94138	0.7
71.59312	0.8
75.79111	0.6
80.16306	0.6
84.93944	0.7
86.36001	0.8
93.05207	0.8
114.13239	0.8
122.83742	0.8
139.31656	0.8
175.46817	0.8
178.54272	0.7
183.10161	1.1
197.02452	4.8
208.45630	0.8
213.01906	1.5
225.01907	9.1
226.72685	0.9
237.18797	0.9
240.04259	4.3
241.01413	24.2
253.01491	1.6
256.03784	6.7
268.03760	1.3
269.00931	23.4
283.19174	1.5
284.03268	58.7
295.02411	1.1
297.00470	3.9
299.05698	1.4
311.01974	27.2
312.02817	30.6
312.06122	1.2
327.05133	100.0
327.21774	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
93.03468	1.4
99.40736	0.4
121.02936	5.2
144.83257	0.3
145.33217	0.4
149.17853	0.4
164.01096	0.5
165.01930	100.0
176.17664	0.4
327.07230	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	Garvin C
Peak:m/z	Relative Intensity
55.92355	0.8
59.01373	1.1
63.94772	0.8
71.87525	1.0
93.03465	2.1
119.05016	100.0
132.05815	1.8
150.03230	4.0
163.04016	71.1
165.04013	4.4
165.05548	7.4
211.06070	1.3
237.09245	4.7
239.10762	4.3
251.97539	1.4
283.09784	21.8
300.66409	1.1
327.08759	78.7
327.14664	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.92060	0.6
59.01379	0.8
59.30960	0.8
60.09257	0.6
66.59685	0.7
67.16228	0.6
93.03456	31.9
96.99313	8.5
117.03406	1.0
118.84219	0.8
119.05020	20.6
123.04499	1.3
128.08989	0.7
131.05009	6.8
133.02963	7.4
143.05028	21.9
143.06065	1.3
145.02934	4.0
147.52576	0.7
152.26907	0.9
159.04497	1.0
163.04013	16.2
165.05582	1.4
171.04521	1.3
199.71260	0.7
211.07646	7.6
219.08095	1.0
221.09750	2.8
223.07614	1.0
235.07632	3.4
237.09193	8.3
239.10822	1.1
251.95328	0.8
263.07056	0.8
265.08737	26.4
302.23056	1.0
309.07666	6.9
312.09955	2.8
327.08780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0877
Annotation	Garbogiol
Peak:m/z	Relative Intensity
55.90214	1.2
58.65023	1.5
84.38519	1.6
92.23129	2.5
104.09090	2.1
113.92178	2.0
213.01981	8.2
225.05559	2.0
229.59294	1.6
239.03416	2.0
241.01447	85.5
253.04939	3.8
256.03809	8.0
267.02917	2.4
268.07687	2.2
269.00897	14.6
269.04065	2.1
269.14877	2.0
279.03036	3.1
284.03296	8.3
297.00696	6.4
297.04053	100.0
312.02829	13.4
312.06406	96.0
327.05103	54.9
327.08783	94.2
327.22144	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.088
Annotation	3-Hydroxy-3',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01389	0.7
60.34118	0.4
66.06119	0.4
72.99292	0.5
86.16320	0.5
91.21861	0.5
100.63168	0.4
125.09689	0.6
138.39096	0.5
171.10301	1.1
196.36171	0.5
201.11171	0.5
211.04047	0.7
225.05672	3.7
239.03549	2.4
251.03622	0.9
253.05064	8.1
254.05891	2.4
254.20522	0.5
258.13580	0.5
265.18170	1.0
267.02917	3.6
268.07440	2.7
269.04633	2.6
269.08133	0.7
279.03049	3.0
282.05524	0.7
283.06076	0.8
283.19061	0.6
284.06854	0.6
291.09064	0.6
297.04083	79.0
309.17520	0.9
309.20728	0.8
311.05707	0.9
311.55121	0.5
312.06445	86.2
327.08783	100.0
327.18030	3.8
327.21835	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	Platanin 3,7-dimethyl ether
Peak:m/z	Relative Intensity
59.01383	0.8
66.95896	0.7
71.61296	0.8
72.61469	0.6
92.82930	0.9
100.19561	0.7
120.10405	0.8
171.10326	1.8
201.11363	1.0
210.06721	0.9
235.13708	0.8
238.06386	2.0
241.05087	1.8
253.05016	7.2
265.05157	3.6
266.05750	5.8
267.06763	1.3
269.04578	11.1
283.06094	15.6
284.06955	10.8
293.04504	1.9
294.05380	6.0
295.06076	12.4
297.04062	8.9
311.05646	26.1
312.02774	1.4
312.06424	35.9
327.08759	100.0
327.21780	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	3-Hydroxy-3',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01353	0.8
62.60047	0.7
63.60331	0.8
72.55235	0.9
99.37426	0.8
132.42111	0.8
152.71498	1.0
158.71895	0.8
161.26147	0.9
206.41212	0.9
225.05505	1.2
237.06055	0.8
253.05072	4.1
268.68741	1.0
269.04486	5.1
279.02802	1.1
283.02802	1.1
283.06049	2.0
295.06064	1.6
297.00735	1.9
297.04092	18.9
297.07462	1.7
311.05661	8.6
312.06427	100.0
323.80582	0.8
327.05457	4.0
327.08752	80.5
327.22034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
58.00971	0.9
59.01101	1.4
59.01381	27.1
61.86502	0.9
71.01376	18.2
72.99310	4.3
75.00868	54.4
77.71928	1.0
85.02951	6.5
87.00887	9.3
88.69202	1.0
89.02441	21.3
94.49468	1.0
99.00848	1.3
101.02436	12.0
106.53677	1.0
113.02431	5.7
117.01856	1.3
119.03493	7.0
129.01920	9.6
140.44234	1.1
147.02998	11.4
191.05652	9.7
221.91580	1.1
327.09418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04137	0.5
51.38591	0.5
52.15913	0.5
52.85118	0.5
53.90801	0.4
55.17704	0.5
59.01381	32.6
61.97854	0.5
64.33368	0.6
65.85429	0.5
71.01375	14.8
72.99313	0.9
83.01389	0.7
85.02945	3.0
89.02438	17.0
91.39368	0.5
95.01388	1.1
101.02445	13.3
103.05530	0.9
113.00834	0.6
113.02430	7.1
119.03503	5.7
119.05008	3.1
147.04520	100.0
165.05568	18.8
179.05774	0.7
180.28619	0.6
201.66103	0.6
327.10898	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21484	1.4
59.01383	32.5
59.50018	1.2
70.08802	1.2
71.01382	14.5
80.34139	1.3
83.01395	1.4
89.02443	15.3
93.03452	11.7
96.99329	1.6
100.06654	1.3
101.02423	9.4
103.05515	1.7
113.02422	6.2
119.03508	6.8
119.05013	11.3
125.15734	1.8
131.05045	2.1
143.05013	8.4
147.04515	100.0
152.03494	1.7
163.03999	7.4
165.04063	5.7
165.05562	17.8
235.07730	2.0
265.08731	13.0
309.07339	1.2
323.38113	1.3
327.11392	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.12674	0.5
59.01376	5.5
63.04198	0.5
68.87615	0.6
90.43771	0.6
93.03445	13.8
99.92601	0.6
101.02405	0.9
113.02468	0.8
121.02413	0.6
121.06568	2.9
129.03436	2.7
134.08751	0.6
134.82272	0.7
137.09793	0.6
146.64011	0.8
147.04521	17.8
152.36378	0.6
165.01891	1.6
165.05560	100.0
208.45316	0.8
254.05522	1.3
269.04459	0.7
312.11932	1.3
316.72607	0.7
327.07462	1.2
327.10861	11.9
327.14197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.6
60.62807	1.8
63.34251	1.5
71.01379	18.8
75.00857	8.2
76.09343	1.9
85.02955	4.4
87.47803	2.0
89.02435	19.1
93.03458	12.0
101.02446	12.4
113.02440	3.6
116.65773	1.9
119.03486	3.9
119.05013	11.6
135.04529	2.6
143.05070	3.8
147.04529	100.0
163.04015	3.7
165.04027	31.9
165.05562	22.6
176.04744	2.6
179.03430	2.6
182.76280	2.0
247.73653	2.0
265.08636	8.1
301.37329	1.9
322.74100	2.0
327.11368	75.4
327.21927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Androsin
Peak:m/z	Relative Intensity
50.33643	0.7
59.01380	34.9
61.90575	0.8
64.32166	0.8
71.01379	16.7
72.99294	1.5
73.02965	0.9
73.77493	1.0
74.62595	0.8
85.02977	1.7
87.00872	1.1
89.02441	19.5
95.97891	0.8
101.02429	12.2
113.02452	6.0
119.03480	8.1
119.05046	3.7
128.66342	0.9
142.26122	0.9
147.04518	94.4
149.02484	1.0
150.03235	2.0
165.05586	19.4
166.28142	1.0
167.57431	0.9
230.85423	1.0
310.07312	1.3
312.11810	3.7
327.10886	100.0
335.26865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	36.3
69.17268	1.7
70.45659	1.4
71.01383	17.9
74.93720	1.7
85.02953	2.7
85.85428	1.6
86.94106	1.6
87.00889	1.8
89.02425	19.5
101.02436	12.4
113.02456	9.8
119.03511	8.1
119.05025	3.9
120.84040	1.8
139.81898	2.0
147.04515	96.2
163.72238	1.9
165.04178	5.3
165.05580	17.4
207.13643	1.9
211.69885	2.3
264.86105	1.8
287.49463	1.7
327.10944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69983	1.0
53.86065	1.4
59.01386	35.3
66.11198	1.1
66.16134	1.2
67.48697	1.3
71.01377	15.3
80.14680	1.3
80.64091	1.3
85.02943	2.4
88.94204	1.4
89.02435	17.9
100.74537	1.9
101.02446	10.3
113.02455	6.7
119.03493	7.5
119.05018	2.4
119.85513	1.4
121.03905	1.3
135.66016	1.4
147.04515	97.5
165.05602	16.7
309.07468	1.7
327.10968	100.0
345.87320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.4
67.58002	2.0
71.01380	13.4
89.02454	19.5
90.61180	1.9
101.02431	11.3
107.48592	2.1
108.00546	1.9
113.02468	4.8
119.03482	2.2
120.22530	1.9
122.67177	2.0
124.00583	2.2
145.13721	2.2
147.04523	79.7
165.05531	16.4
239.26770	2.5
320.09137	2.4
327.10910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
50.06240	3.9
50.71840	5.1
53.31062	4.6
74.11146	5.8
83.73460	6.5
90.18002	5.9
93.03459	24.0
95.03175	5.9
106.77793	6.2
122.33121	6.1
149.02455	100.0
155.25433	6.0
164.04756	10.7
165.05478	7.6
184.45615	7.3
186.27348	6.7
191.56868	6.0
265.86343	6.4
302.08432	6.2
327.12360	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1242
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
54.18869	0.9
81.56622	0.8
91.89455	0.9
109.03800	1.1
121.02940	7.8
147.04446	1.2
149.55003	0.8
159.86757	1.0
163.04025	1.8
168.97691	1.1
175.04005	11.8
190.06372	8.7
222.05254	3.9
239.07248	1.6
241.05127	1.3
251.07191	4.4
253.05463	1.0
261.05637	4.2
263.07050	1.5
267.06601	6.1
269.08215	16.2
279.06671	19.3
283.09735	6.1
293.08154	1.3
294.09042	4.9
297.07718	100.0
297.10721	3.4
309.11377	13.5
311.09335	4.1
312.10056	30.8
327.12424	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1733
Annotation	Eiseniachloride B
Peak:m/z	Relative Intensity
59.11076	5.0
74.00452	4.8
84.39224	5.5
101.12879	5.7
107.74622	4.8
158.98564	5.8
185.00861	10.6
216.21907	5.2
291.19818	10.5
327.18240	100.0
327.21896	31.1
339.88608	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1815
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
53.43451	1.4
61.17771	1.1
71.05009	20.4
87.00873	3.0
97.02976	2.5
99.28713	1.4
102.20163	1.4
115.04002	6.5
129.09181	2.9
157.08739	2.7
165.12904	2.4
167.14430	30.8
171.10262	6.4
183.13875	1.7
195.13995	2.2
197.11848	8.6
209.15443	2.0
209.27855	1.5
211.13422	32.4
227.16548	2.6
229.14497	18.3
239.16522	7.0
241.18118	73.1
255.15933	2.4
255.31453	1.8
265.18066	8.4
283.19077	28.0
309.20715	3.5
327.18146	100.0
327.21808	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
75.41258	1.1
83.04987	2.5
85.02940	5.4
85.06573	1.2
86.30437	1.2
97.06531	1.9
101.06065	1.4
111.04507	6.4
116.99415	1.3
126.15182	1.2
127.04028	2.7
130.87064	1.3
153.12842	5.6
169.12256	1.9
181.12407	10.5
183.13881	8.0
197.11824	7.5
199.13423	11.9
206.69972	1.6
211.13457	2.5
228.13718	2.4
237.18594	5.3
247.16882	1.6
251.16339	1.9
265.18045	11.1
283.19174	100.0
309.17239	15.9
327.18106	29.7
327.21841	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.65604	0.9
97.06584	5.3
99.08185	1.7
112.05289	6.0
115.07612	2.4
125.09718	1.1
127.07613	1.2
127.11267	5.8
129.09201	6.4
139.11218	1.2
141.09201	1.3
155.10785	84.2
159.86830	1.3
160.56522	1.1
171.10262	43.4
181.12239	4.1
185.11853	9.6
193.12166	1.2
197.11870	9.2
199.13365	10.8
211.13383	1.8
227.12875	2.2
237.17798	1.2
272.09674	1.1
291.19690	14.3
309.20721	25.3
327.21811	100.0
344.67761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75964	1.2
65.99886	1.1
89.41842	1.0
99.08146	1.8
127.07661	2.1
129.09221	33.2
141.09238	11.3
171.10318	7.2
185.10243	2.0
185.11855	43.8
197.11853	34.3
209.11850	4.1
211.13455	4.3
222.26152	0.9
229.14493	4.0
271.12857	1.0
291.19708	2.3
293.82208	1.2
309.20709	7.6
327.21811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
59.01399	1.3
68.11808	0.9
85.19376	0.8
113.09714	15.9
125.09718	8.3
127.11301	7.0
129.09198	3.9
133.46065	1.1
137.88655	1.1
139.11269	4.2
140.73491	1.1
141.09245	1.4
141.77420	1.1
151.11264	2.3
155.10788	5.9
164.08112	1.0
169.12354	1.2
171.10266	5.7
183.10228	2.1
185.11739	2.1
192.25017	1.0
194.04469	1.1
195.10211	3.8
197.11830	6.2
199.09727	1.5
201.11334	72.3
213.11354	32.5
291.19690	4.2
309.20734	9.0
327.21790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	0.8
83.05019	6.9
100.33282	0.8
120.56074	0.8
125.06082	1.0
129.09222	12.7
132.03055	1.1
141.09204	5.3
163.11305	5.4
165.12863	4.5
169.07478	1.0
173.31902	0.9
177.81227	1.0
185.11838	22.4
191.10815	1.7
197.11838	21.2
209.11853	100.0
227.12849	8.7
235.54929	1.0
291.19754	3.6
293.75012	1.1
309.20743	5.3
327.21811	71.0
333.50232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03830	0.8
57.03431	2.0
57.11166	0.9
69.03459	2.1
85.02941	19.4
97.06592	3.9
97.37324	1.0
105.49654	0.9
137.09727	5.9
171.10268	40.1
181.32010	1.2
183.13895	2.0
201.11324	2.4
211.13402	20.5
221.11780	1.7
229.14468	8.8
239.13023	1.7
254.41582	1.1
291.19888	1.2
300.61441	1.1
327.08786	1.4
327.21805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84344	0.4
55.01885	0.6
57.03444	4.2
59.01372	0.8
71.01382	1.3
71.05020	0.9
76.50891	0.5
80.69395	0.6
81.25027	0.7
83.25649	0.5
85.02470	1.1
85.02945	16.2
85.06597	2.8
97.02931	0.7
97.06571	8.2
107.30769	0.6
115.07645	0.7
125.06075	2.2
132.92610	0.6
171.10242	1.0
177.05537	0.8
177.13031	0.7
182.30653	0.6
183.13907	32.9
195.13837	2.2
211.13409	14.6
223.17010	3.7
233.15511	0.8
239.16676	0.9
251.16554	7.2
263.20306	0.7
269.17606	1.2
291.19760	2.4
309.20871	0.7
312.06418	2.7
327.08780	3.8
327.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2182
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01370	2.0
66.24002	0.8
68.07169	1.0
70.46461	0.8
77.67695	0.9
79.50191	0.8
85.79882	0.7
87.62704	0.7
95.92714	0.7
97.06544	1.3
111.08161	7.2
124.31900	0.9
127.07639	0.8
137.09688	1.2
138.30281	0.9
141.09258	0.9
151.11328	1.4
169.12332	3.0
171.10272	7.4
181.12408	1.4
185.11792	1.0
197.11848	41.9
199.13402	9.9
211.13417	7.6
224.61829	0.7
229.14449	1.2
239.16505	9.0
291.19629	4.9
309.20731	1.9
327.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03445	2.0
58.22245	1.0
62.35927	0.8
84.97651	0.9
85.02944	12.8
97.02987	1.5
97.06597	5.0
127.11261	2.0
137.09718	5.0
155.14404	1.1
165.12849	1.1
171.10275	23.9
183.07651	1.2
183.13866	6.2
185.11916	1.7
194.78247	1.0
209.11911	1.5
211.13408	31.9
221.11877	5.1
229.14462	18.2
239.12842	1.6
263.69382	1.3
291.19611	4.3
327.21811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.19032	0.9
51.84882	0.9
58.85350	0.8
59.01383	10.1
62.93522	1.0
69.00499	1.0
71.01379	1.5
76.35178	1.0
80.94519	0.8
83.05032	1.2
99.92783	1.0
111.08119	2.3
122.45107	1.1
169.12309	1.2
171.10236	2.2
183.13910	4.4
185.11830	5.7
195.13896	5.0
197.11845	19.6
199.13455	2.2
207.13972	2.0
207.17496	1.7
209.15509	12.5
211.13435	2.4
221.11855	3.7
223.17102	7.6
225.14885	9.0
233.15486	2.2
239.12923	1.5
251.16539	15.7
270.13577	1.2
273.18622	1.2
291.19797	2.4
309.20770	10.4
327.21802	100.0
344.36728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.59053	0.6
57.87922	0.7
64.66154	0.7
69.79619	0.6
69.99305	0.7
73.02915	0.7
83.05031	5.0
97.14225	0.8
112.76013	0.7
127.07700	0.9
129.09210	25.4
141.09233	9.5
141.12914	1.2
142.85109	0.9
157.08659	1.5
163.11264	4.2
165.12869	1.1
185.11832	37.1
191.10800	0.8
195.13585	0.7
197.11848	38.7
199.13495	0.7
209.11855	57.6
227.12885	5.3
247.20685	1.3
279.72299	0.7
279.92313	0.7
281.11737	0.8
291.19775	6.3
309.20801	7.9
310.91040	0.8
327.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
67.68599	0.6
68.10793	0.6
71.01358	1.3
71.73943	0.7
85.02946	18.6
85.06576	1.6
95.04997	1.1
97.06573	7.5
105.66134	0.7
106.24558	0.8
112.04453	0.8
125.06077	1.4
129.73849	0.8
129.98859	0.9
136.44852	0.7
171.10265	3.6
183.13911	33.1
195.13959	1.8
211.13408	16.3
223.17044	1.7
251.16537	4.5
269.04465	0.8
291.19650	4.0
300.24417	0.8
327.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2332
Annotation	(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
Peak:m/z	Relative Intensity
59.01372	19.4
185.87741	4.3
185.97430	4.6
283.24081	47.5
283.26929	10.9
327.23325	100.0
327.28931	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87445	1.4
57.50076	1.3
57.86645	1.2
67.88506	1.3
68.95342	1.2
69.52865	1.3
100.93346	2.5
115.92052	7.2
191.08263	1.3
202.95499	1.2
251.13832	1.5
251.21182	3.2
251.23827	100.0
281.28552	1.8
288.64746	1.6
295.22803	58.0
297.23831	1.3
327.21988	3.2
327.25400	56.4
327.29123	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98007	1.1
68.84832	1.4
69.03441	1.7
71.05020	8.8
72.99310	39.0
75.00862	1.6
78.04059	1.2
80.90800	1.3
85.37386	1.3
125.21165	1.3
128.90445	1.6
185.11844	1.5
197.11839	2.5
201.11342	1.7
263.23740	2.5
265.25381	100.0
269.14102	1.4
309.20840	3.2
309.24393	95.0
327.21741	6.5
327.25424	28.0
327.28903	2.9
331.63562	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50169	0.5
57.80420	0.5
63.23762	0.6
67.62292	0.6
71.01382	10.9
88.31866	0.6
89.02438	51.9
91.18289	0.5
92.22584	0.9
112.02265	0.5
128.33513	0.6
131.51558	0.6
134.01761	0.6
255.23312	100.0
285.65408	0.8
327.21674	1.1
327.25421	12.9
327.28574	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2544
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
56.64798	0.7
60.33028	0.9
75.00864	1.6
80.14737	0.8
81.01780	0.8
96.21545	0.9
100.92023	0.9
100.92703	0.9
108.36921	0.8
161.11858	0.9
188.69284	1.0
210.46761	0.9
265.25381	96.5
283.26514	3.8
309.24390	38.8
327.25433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01049	0.4
57.81788	0.4
59.21238	0.4
63.58455	0.4
64.64626	0.4
105.54908	0.5
121.64526	0.5
125.09695	2.0
141.12862	0.5
155.14409	4.3
167.14412	0.5
204.31593	0.4
251.23814	3.9
295.22824	100.0
327.25479	0.6
328.60431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.70012	0.3
59.34195	0.3
76.79340	0.4
87.29871	0.4
88.21777	0.4
127.91151	0.4
154.30959	0.4
281.28580	5.0
309.28052	0.9
325.27328	0.8
327.29080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
51.15778	0.3
55.01863	0.3
60.05230	0.3
63.86777	0.3
65.18190	0.3
87.01325	0.4
89.25906	0.4
97.33466	0.3
110.49270	0.3
279.26932	2.7
281.28513	88.3
309.28061	2.1
327.29077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.36385	0.7
52.97416	0.7
55.18181	0.8
59.01382	76.7
67.41087	0.9
128.40814	0.9
152.46210	0.9
200.38612	0.8
247.80336	0.9
327.29077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.43372	0.4
59.09211	0.5
59.48892	0.4
59.81342	0.5
95.68580	0.5
100.40695	0.4
110.64144	0.6
125.09686	0.5
126.39201	0.5
127.11283	1.2
167.74326	0.5
183.17552	1.9
198.87224	0.5
227.10811	0.5
254.57416	0.5
263.32526	0.6
272.40292	0.5
281.28580	3.0
309.27905	0.9
325.27542	0.6
327.29089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
57.92522	3.4
59.01381	76.2
72.21556	3.8
78.03725	3.9
80.62907	4.2
84.77817	4.0
121.60039	4.4
136.06157	4.6
308.26151	4.5
310.91107	4.4
327.29105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0829
Annotation	Melanocin B
Peak:m/z	Relative Intensity
57.71183	0.9
61.50522	1.2
68.13120	1.2
72.10725	1.2
84.13855	1.3
104.84299	1.0
105.85693	1.2
115.14931	1.0
139.39903	1.1
181.05348	2.2
182.06107	6.9
194.06053	1.7
209.04768	7.1
210.05629	47.2
214.05107	6.7
224.07188	60.8
225.07948	32.2
226.08844	10.9
228.06615	5.5
239.05904	5.9
240.10281	37.3
254.08237	7.7
257.06992	1.6
284.09296	100.0
328.08243	17.6
328.11658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06453	1.1
60.36692	1.2
63.52106	1.4
65.89143	1.2
92.22504	2.2
105.83241	1.3
125.04149	1.5
143.42831	1.3
181.05307	4.9
182.06139	8.5
194.06104	6.6
202.45393	1.5
209.04910	7.6
210.05630	47.2
213.04225	2.1
214.05136	10.0
222.05496	1.7
224.07178	57.6
225.07959	41.7
225.09996	2.5
226.08844	10.2
228.06642	3.2
234.97778	1.5
239.05856	7.2
240.06674	2.0
240.10323	40.1
254.08257	7.2
257.06885	2.5
268.10501	3.4
284.05920	3.1
284.09323	100.0
284.12494	3.5
314.83774	1.7
328.04608	3.4
328.08307	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02008	1.5
58.23877	1.7
79.32407	1.8
81.87625	2.0
83.38995	1.8
106.76373	2.1
111.63342	1.9
116.01286	1.9
144.69591	2.0
147.04474	3.2
148.04874	2.9
181.05547	2.1
182.06154	4.5
194.06137	9.5
203.25914	2.0
209.04744	3.1
210.05638	57.0
212.07158	2.5
214.05241	6.7
224.07195	64.6
225.07973	50.3
226.08771	8.8
228.06642	4.2
239.06059	2.8
240.10307	48.4
254.08226	8.2
257.06952	3.2
263.55664	1.9
284.05936	7.2
284.09290	100.0
297.89621	2.0
328.04651	2.4
328.08051	15.6
328.11374	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22267	1.8
80.68224	1.9
91.04435	1.7
111.44250	1.8
127.45200	2.0
159.54559	2.0
181.05295	3.2
182.06166	9.5
194.06114	3.4
209.04846	2.4
210.05618	45.1
214.05011	3.2
224.07175	54.1
225.07945	42.5
226.08803	10.8
228.06749	3.2
239.05850	2.7
240.10301	44.9
254.08253	3.1
284.09314	100.0
284.12497	3.2
313.65302	1.7
328.08270	15.9
348.35977	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16637	1.2
67.60235	1.3
68.52421	1.3
73.22743	1.3
98.94716	1.3
104.55564	1.4
109.02338	1.5
110.45834	1.2
149.05972	1.5
171.04422	1.6
171.48140	1.3
181.05376	2.7
182.06148	7.2
188.13884	1.5
194.06097	5.3
209.04790	3.1
210.05629	55.2
214.05096	6.0
224.07166	63.5
225.07973	41.0
226.08691	11.0
228.06631	7.0
239.05913	7.9
240.10318	46.7
254.08257	5.9
268.10422	3.3
284.09283	100.0
289.26630	1.5
328.08304	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.2
67.66655	0.7
84.04549	5.5
97.02930	0.8
99.00886	1.3
102.05608	53.7
106.09516	0.7
109.06570	1.2
125.09690	1.2
163.11269	4.6
181.12363	21.9
181.13916	1.0
196.26366	1.0
204.55611	0.9
207.10277	41.0
224.12996	4.9
225.11339	57.6
266.17667	1.4
269.03293	0.8
270.56299	0.9
289.88995	0.7
310.16388	2.7
328.17722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.177
Annotation	Heliotrine N-oxide
Peak:m/z	Relative Intensity
55.74745	0.7
63.00398	0.8
64.71383	0.8
72.98227	0.7
84.04547	6.3
99.00846	1.5
101.79300	0.8
102.05604	47.9
109.61330	0.8
125.09711	1.0
130.08722	2.0
152.03444	0.9
155.09261	0.9
162.15944	1.0
163.11299	4.1
165.84572	0.9
170.50465	0.9
181.12363	17.0
207.10277	36.7
224.12935	5.5
225.11342	59.8
248.73650	1.1
294.04810	0.9
310.16727	4.3
328.17700	100.0
348.56503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27494	0.7
59.01380	0.8
76.17377	0.8
76.17841	0.9
82.38330	0.8
85.06590	1.5
94.83373	0.8
120.74045	0.9
125.09705	1.0
131.07132	28.2
143.10721	1.1
151.66028	0.8
153.12866	12.7
184.75345	0.8
197.11873	17.7
210.15010	0.9
214.14508	100.0
215.12949	8.3
228.16028	1.7
270.20651	1.7
292.19141	1.5
305.19299	0.9
310.20895	0.9
328.17151	1.4
328.21521	28.3
328.25064	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38000	0.7
60.96101	0.8
92.56246	0.8
95.35308	0.8
110.21408	0.8
113.09694	2.2
125.09725	27.8
125.10681	1.4
125.11034	0.8
142.12352	1.8
143.10745	7.7
156.10278	1.0
157.12296	6.7
159.10265	21.9
168.10254	0.9
183.28174	0.9
186.11357	100.0
200.13597	1.3
202.10895	5.8
212.59702	1.0
227.12819	3.4
228.13184	4.2
255.09279	1.6
268.06989	1.0
269.07285	3.5
270.07474	9.1
284.09680	1.4
285.09952	5.6
298.07004	1.9
310.20786	1.1
313.09253	3.3
328.11826	13.4
328.21448	32.4
328.25015	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69464	0.8
70.30992	0.9
70.96763	0.7
85.02943	3.8
97.06580	2.0
98.06860	1.2
116.86374	0.9
171.10236	4.5
172.10619	4.4
183.13855	2.2
184.14197	3.9
210.12183	1.2
211.13422	11.0
212.13741	22.0
222.12148	4.0
229.14384	5.7
230.14731	9.6
292.19824	1.5
306.98804	1.1
310.20990	1.0
328.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44467	1.3
51.28439	1.4
57.25787	1.6
58.97531	1.2
59.01103	3.1
59.01384	67.0
59.93120	1.2
60.01711	9.4
61.33661	1.6
62.65285	1.4
65.70559	1.4
65.80756	1.5
79.62740	1.7
103.48215	1.5
130.62802	1.7
181.83864	1.6
255.23260	2.9
256.23700	27.6
328.29428	100.0
340.29651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.2
85.09455	0.6
99.91779	0.7
99.99960	0.8
117.00426	1.0
126.94211	0.7
129.76730	0.7
143.02005	5.5
157.03606	0.7
159.01495	90.4
168.99959	6.6
170.97897	1.3
185.01236	1.3
187.00996	100.0
201.02589	17.2
224.89163	0.7
311.01227	1.4
320.90875	0.7
328.96664	1.0
329.02249	16.7
329.82733	1.1
332.38400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16265	0.5
71.01382	0.6
72.99298	2.7
83.64858	0.6
89.02495	0.5
115.00354	1.1
122.03713	1.0
133.01418	3.6
137.02409	6.3
149.00911	5.2
151.02504	5.3
174.99168	1.0
177.00418	0.9
195.01523	2.8
199.75198	0.5
207.01486	9.0
208.99405	4.9
212.94852	3.0
213.02548	8.3
225.02527	1.0
232.99379	1.0
250.97888	0.6
251.00488	18.7
268.93790	5.3
269.01538	100.0
286.95032	2.2
287.02600	10.0
328.96002	4.9
329.03659	45.1
339.15979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Tamaridone
Peak:m/z	Relative Intensity
50.40100	0.8
58.20007	0.9
59.01376	2.1
69.28305	1.1
72.77814	0.9
95.01353	2.1
99.08108	1.2
99.87039	1.3
108.02156	26.1
111.00829	4.5
123.00888	8.5
123.04504	21.1
124.01640	1.3
136.01645	11.3
139.11282	2.0
149.02393	1.2
150.03160	6.9
151.00369	10.1
151.03903	1.5
151.11281	2.6
152.01076	6.1
155.10620	1.5
164.01183	2.4
168.06580	1.4
169.12331	21.3
171.10214	5.5
201.11234	1.5
211.13362	5.7
213.11313	11.2
215.03432	7.5
225.81979	1.2
227.03453	6.7
243.03004	9.3
255.03012	2.0
257.09665	5.9
258.05344	36.8
269.04379	2.3
270.01706	2.5
271.02448	5.9
285.04028	22.5
286.04846	48.6
299.16061	1.9
301.07166	19.3
329.06604	100.0
329.16418	2.4
329.23315	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Tamaridone
Peak:m/z	Relative Intensity
56.74998	1.4
58.31520	1.5
59.78712	1.3
62.41539	1.4
68.57078	1.4
99.08167	1.6
104.33714	1.4
108.02160	23.7
123.00856	7.4
123.04509	24.4
124.01629	3.3
136.01651	15.9
139.11201	2.1
150.03210	8.2
151.00333	10.8
152.01143	8.8
164.01035	2.9
169.12372	17.9
171.10291	8.5
199.04047	2.7
199.14920	1.7
201.11325	2.0
211.13322	4.1
213.11296	4.1
215.03514	3.1
227.03473	2.8
229.14357	2.1
242.05843	2.4
243.02913	8.6
255.03014	3.4
258.05338	41.5
270.01651	3.5
271.02499	2.8
285.04099	23.5
285.07379	2.4
286.04852	50.3
301.07047	21.2
314.04196	2.1
329.03720	3.5
329.06699	100.0
329.19620	3.3
329.23285	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01366	0.9
70.39008	0.8
71.01384	0.8
72.97114	0.9
72.99306	1.9
86.93571	0.8
108.02166	1.8
115.00266	1.2
123.00854	1.0
123.04491	5.8
133.01416	2.1
137.05969	1.0
138.03233	1.2
141.53322	0.9
152.01151	43.5
152.52245	0.9
153.05446	1.2
166.02693	2.1
167.03494	100.0
168.10594	0.9
197.04564	5.5
212.93864	15.3
226.91774	3.9
229.44093	1.0
247.85646	1.1
254.94731	1.5
255.06540	1.1
256.06873	3.7
268.92783	2.0
314.13449	1.4
329.08847	31.5
329.15497	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.79799	0.4
64.48165	0.4
65.60208	0.4
67.16684	0.4
71.38595	0.4
72.99302	0.7
73.02945	0.7
79.40022	0.4
108.02174	25.2
109.17406	0.5
121.22643	0.5
122.03767	0.8
123.04522	23.1
131.04655	0.8
133.01434	0.7
139.79736	0.4
152.01158	37.8
167.03493	100.0
179.03458	0.5
179.63974	0.5
191.05627	0.9
197.04504	1.0
207.43335	0.5
250.49095	0.5
250.59264	0.5
269.01563	3.1
329.09155	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01381	8.2
60.10961	0.4
71.01375	0.5
91.01893	7.1
101.02425	0.4
107.05009	1.0
135.00885	22.4
135.01924	0.7
149.02403	1.0
160.03539	0.5
161.04591	1.9
166.02730	0.7
167.03497	100.0
169.10405	0.4
185.30278	0.4
226.08258	0.6
285.09686	0.7
329.08807	9.5
333.97507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.75863	0.4
57.06445	0.5
58.31186	0.4
70.84574	0.5
71.01379	0.7
72.13374	0.5
72.99335	0.6
91.24505	0.5
96.17054	0.6
106.39734	0.5
108.01429	1.1
108.02174	32.2
113.02509	0.6
122.03685	0.9
123.00792	0.7
123.04520	35.6
144.62701	0.6
152.01166	36.5
157.03691	0.7
160.25664	0.7
167.03500	100.0
220.24857	0.5
285.09818	2.5
329.08871	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1034
Annotation	Bussealin E
Peak:m/z	Relative Intensity
65.50580	0.7
89.07584	0.6
150.03207	0.9
151.00383	0.9
160.05313	1.0
163.03981	1.3
171.10307	2.5
175.07602	0.9
211.13359	1.4
240.07976	3.3
243.06657	1.4
255.06671	1.1
256.03790	4.0
257.04620	2.8
267.06769	1.4
268.07422	6.5
271.06177	8.4
272.06937	1.6
281.08084	2.3
284.06934	1.3
285.07605	7.9
286.08530	1.0
296.06934	6.5
297.07684	15.7
299.05588	14.3
313.04443	0.8
313.07208	37.2
314.08005	64.2
329.10361	100.0
329.23270	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1147
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.96822	0.8
59.01387	1.2
60.49194	0.8
67.43275	0.8
79.98370	0.8
80.30939	0.7
80.52882	0.8
82.02964	1.4
94.02950	0.9
122.06112	1.1
129.40492	1.0
132.04543	4.0
133.05284	7.2
134.06116	13.9
147.41119	1.1
149.02403	1.3
149.32617	1.0
151.03990	0.9
160.04077	13.4
160.05322	1.5
161.04819	64.7
162.05618	77.6
168.54878	0.8
193.03812	22.0
213.08023	1.3
227.01732	1.1
230.74887	0.9
241.06180	1.5
242.11879	5.2
242.54407	1.2
243.11397	5.6
257.09317	12.4
265.58688	1.1
268.09824	5.7
269.09363	7.3
285.12485	33.5
311.10452	7.5
329.11447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.43333	1.7
59.01381	100.0
62.33836	1.5
66.95341	1.8
69.13680	1.5
71.01378	47.0
72.99284	1.7
83.01395	2.0
85.02940	11.0
89.02439	59.2
92.93044	1.8
95.01392	2.8
101.02424	26.1
113.02456	24.5
119.03489	23.3
134.03748	12.4
149.06070	13.7
158.67943	1.6
167.07164	2.8
179.05644	3.6
329.12424	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40705	0.6
59.01385	100.0
59.34731	0.5
60.05488	0.6
60.18145	0.5
62.05221	0.6
64.43333	0.6
71.01375	4.1
73.02917	1.5
85.02931	1.3
101.02429	2.8
113.02451	2.4
150.17047	0.7
161.04517	2.9
250.19119	0.6
269.10352	10.1
329.13458	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1245
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00595	1.9
59.01381	100.0
71.01382	50.0
72.66911	1.7
72.99305	4.8
83.01424	2.0
84.55168	1.7
85.02939	13.7
89.02435	75.4
89.03287	2.1
92.14252	2.2
100.52065	2.0
101.02441	27.9
113.02442	20.7
115.00351	3.2
119.03488	36.1
129.55760	1.9
133.01437	13.5
134.03764	23.0
142.98282	2.3
149.04550	1.9
149.04915	2.2
149.06084	24.8
152.04791	10.0
167.03488	13.0
167.07127	34.9
179.05588	8.9
186.91356	2.3
196.41377	2.4
197.04599	3.4
204.02780	2.1
212.93823	32.5
226.91763	5.0
254.94919	3.9
268.92847	10.2
326.35489	2.6
329.12418	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86007	0.9
56.08570	1.0
56.43342	0.9
59.01383	100.0
62.27163	0.9
67.28464	0.9
68.77907	1.0
71.01377	10.4
73.02949	1.8
83.01363	1.3
85.02961	2.5
91.01895	6.2
101.02437	4.8
101.55772	1.1
104.92267	1.1
107.05026	15.8
113.02438	4.0
127.18489	1.1
135.00876	20.1
149.02431	2.1
159.02904	1.5
161.04552	17.0
167.02025	2.4
167.03496	75.4
177.33167	1.0
246.63164	1.3
269.10388	4.4
285.09714	2.1
329.08749	5.8
329.12448	1.2
341.05811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1246
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.71867	0.7
59.01382	5.7
60.24164	0.8
64.55238	0.9
71.01392	1.2
72.99308	6.9
75.00867	100.0
84.18797	1.0
87.00896	1.2
99.00804	1.0
99.04534	1.3
117.01964	1.5
123.08130	1.6
137.06134	1.0
151.07588	1.1
152.28868	1.1
191.10765	2.0
204.55397	1.1
206.92398	1.2
209.11934	1.5
243.39372	1.1
268.23837	1.1
310.81351	1.0
329.12466	90.7
329.15900	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1246
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.24702	0.5
59.01389	2.2
72.54207	0.5
84.71236	0.5
128.19893	0.6
129.77119	0.6
130.08722	0.6
137.02504	1.4
142.27539	0.6
149.02415	8.4
152.04790	73.0
163.04224	0.6
167.07138	100.0
167.18245	0.7
169.05135	0.6
314.11670	1.0
324.23285	0.6
329.12720	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29037	0.7
59.01385	0.9
59.65009	0.7
64.89503	0.8
70.77113	0.7
71.01381	10.4
85.02901	0.9
88.59077	0.8
97.71193	0.7
115.00373	11.7
133.01431	4.4
147.20595	0.9
151.11288	14.3
160.05299	4.4
161.06163	1.3
169.12354	100.0
171.10258	0.9
175.07591	1.6
178.06311	1.1
211.13466	1.4
213.11346	73.6
215.65811	0.9
329.03076	1.3
329.06665	1.4
329.10181	1.1
329.13840	5.7
329.19504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79586	1.0
59.01384	59.2
63.36075	0.8
71.01375	18.0
72.99318	1.7
73.02927	1.4
85.02947	1.1
89.02435	10.8
101.02445	7.0
108.02196	8.7
113.02457	1.8
123.04517	100.0
123.08656	0.9
149.02382	1.2
151.05231	1.1
152.01152	12.0
161.04572	1.5
165.10323	5.6
165.71211	1.0
167.03491	31.8
167.04813	2.0
193.06293	1.2
195.11417	4.9
196.69044	1.0
197.04503	1.9
205.09833	1.8
207.11360	2.0
223.10890	1.5
285.09811	25.8
285.14594	9.8
300.90213	1.1
329.09155	8.2
329.13553	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22591	1.0
51.26600	1.0
51.60325	0.9
52.62406	1.0
56.03392	0.9
59.01371	3.1
59.85634	1.1
84.04538	1.9
86.02466	2.6
87.00866	7.8
100.39769	1.2
102.05607	32.9
109.45972	1.2
128.03532	54.8
130.08661	1.6
138.09244	5.7
140.05919	7.7
140.07127	1.7
146.04614	23.8
155.08275	11.5
155.11902	3.1
156.10280	23.7
166.02705	4.9
171.11435	1.5
171.15065	1.6
182.08218	47.7
197.12987	7.5
199.10896	5.2
200.09311	7.3
269.08264	1.6
285.14600	8.5
329.13580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.40896	0.7
51.71984	0.9
59.01374	1.0
66.05106	0.8
111.72065	0.8
121.02950	6.5
122.03718	4.2
130.10510	0.8
136.05244	2.0
141.53038	0.9
143.04973	0.9
147.04536	1.5
150.03244	4.1
158.03740	5.0
158.48808	1.0
159.04506	13.4
160.05293	66.0
161.06078	21.0
163.03989	3.2
164.04800	4.3
173.06020	8.2
174.06880	3.9
175.07634	41.6
177.05608	6.4
178.06346	27.0
192.07925	8.1
193.08716	3.7
219.95056	0.9
269.16165	0.9
329.13968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01072	0.4
54.14685	0.4
59.01385	0.6
80.93278	0.4
87.03546	0.4
121.02917	3.1
132.02220	0.5
142.21027	0.5
147.04572	0.5
149.02441	100.0
164.04778	17.4
167.07130	6.5
226.84717	0.5
283.09872	2.7
285.11295	1.0
303.95505	0.5
314.11652	20.3
329.13983	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40691	0.6
59.01377	1.0
64.55069	0.8
71.01376	1.3
71.36688	0.9
85.48746	0.8
100.06450	0.8
121.02990	7.6
129.28767	0.8
135.04486	1.1
147.04515	1.9
154.65381	1.1
159.04562	1.7
160.05199	1.0
191.08252	1.0
192.07896	3.7
200.87907	0.8
218.64563	0.8
240.04306	4.4
254.05746	2.1
269.08206	88.4
271.09818	4.5
281.08252	12.8
283.09698	3.4
299.09286	58.1
313.10925	1.4
314.11624	46.1
329.13959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56826	1.0
66.33383	1.0
80.75607	1.0
121.02936	6.9
122.03719	2.4
123.00900	1.4
125.09682	2.6
136.05263	1.5
147.04480	5.5
150.03207	2.6
158.03737	2.9
159.04506	14.2
160.05293	53.1
161.06090	16.6
163.04025	2.1
164.04826	1.5
166.02695	2.5
173.06030	10.6
174.06924	2.5
175.07640	34.8
177.05562	7.2
178.06339	26.1
186.11368	14.0
192.07939	7.3
262.09738	1.2
269.08176	13.9
270.91382	1.2
281.08008	1.3
299.09271	7.5
314.11630	7.1
329.13962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20979	0.9
59.01363	1.2
67.65974	1.0
99.17370	1.1
121.02969	8.9
122.03666	1.7
137.06097	1.3
147.04492	4.9
150.03180	5.6
158.03697	4.9
159.04541	16.0
160.05296	66.7
161.06056	19.4
163.03926	2.6
164.04813	5.4
169.12312	8.6
171.10274	1.3
173.06058	9.1
174.06799	5.1
174.86720	1.3
175.07643	41.2
177.05531	7.3
178.06357	23.2
192.07893	11.0
213.11380	2.3
266.87784	1.2
271.28201	1.1
329.13913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
71.10313	0.8
111.44277	0.8
121.02952	6.1
122.03719	1.9
123.00814	1.1
123.04507	1.3
124.01608	1.0
132.54221	0.9
136.05302	1.8
143.05002	1.1
147.04555	4.0
150.03201	2.1
158.03723	4.4
159.04517	13.7
160.05293	69.9
161.06073	16.4
162.64233	1.0
164.04790	1.6
173.06036	7.6
174.06827	5.1
175.07639	39.6
177.05566	6.7
178.06355	25.9
192.07948	9.9
193.08774	1.7
327.09933	0.9
329.13977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53403	0.7
59.01384	1.0
59.24644	0.9
66.92496	1.0
71.01370	1.5
73.84907	1.0
74.20791	1.0
79.99606	1.0
98.28119	1.4
121.02947	7.3
122.03681	2.2
136.05232	1.5
137.06075	1.3
147.04475	4.0
150.03235	2.6
158.03748	4.6
159.04529	15.7
160.05304	70.7
161.06119	15.5
163.04022	4.2
164.04752	2.4
173.06070	8.8
174.06841	5.4
175.07654	45.9
177.05583	8.4
178.06375	32.1
192.07980	10.1
193.08618	2.0
204.38531	1.0
211.45677	1.2
279.01022	1.1
329.06631	5.1
329.13986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86218	0.7
53.23094	0.6
59.01373	2.6
99.08180	1.0
103.04041	0.8
133.05038	1.5
139.11304	3.3
141.39960	0.6
151.11302	10.1
152.31909	0.6
160.05345	2.5
166.02734	0.8
169.12344	100.0
171.10265	5.8
195.10248	0.8
211.13419	1.4
213.11348	54.2
213.45927	0.7
227.52136	0.7
329.06616	1.4
329.16708	7.5
329.23386	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27022	0.6
51.12383	0.9
57.36993	0.7
59.01366	1.3
83.06022	0.7
84.10945	0.8
84.33893	1.0
85.02960	1.0
99.08141	1.9
100.18215	0.8
103.04012	1.8
104.43589	0.8
109.02907	0.9
125.09626	1.0
127.11275	1.3
133.05058	10.4
139.11270	5.9
151.11295	13.1
152.99602	1.1
160.05273	1.6
163.74561	0.8
169.12340	100.0
171.04504	1.2
171.10268	12.4
183.13919	3.4
211.13438	12.7
213.11342	55.6
225.05574	1.7
227.03471	6.8
229.14458	5.1
243.06540	0.9
255.03008	0.9
267.06757	1.1
271.02191	1.1
285.07870	1.4
314.04391	5.7
314.08041	3.0
329.03171	1.6
329.06708	8.8
329.10300	4.4
329.16068	9.2
329.23349	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.161
Annotation	Schizonepetoside C
Peak:m/z	Relative Intensity
59.01382	100.0
62.49134	2.0
66.40255	1.8
71.01380	51.9
72.99304	2.4
73.02944	3.3
75.00869	29.6
83.01363	2.3
85.02950	14.1
87.00873	11.6
89.02441	73.1
92.22513	2.2
95.01391	3.8
99.00871	4.6
100.92136	2.0
101.02445	39.5
101.49225	2.0
113.02440	29.5
117.01933	12.0
119.03484	29.8
120.48858	2.3
124.11076	1.8
127.94293	2.1
131.03569	2.5
131.04614	8.3
143.03481	3.8
151.03990	3.5
153.05531	3.1
161.04500	16.5
179.05608	15.0
211.06099	3.5
329.08777	9.2
329.12411	32.3
329.16135	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.161
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
55.01863	3.4
57.03439	2.9
59.01382	40.5
61.81781	1.6
71.01380	100.0
73.02943	32.4
75.00865	2.2
83.01390	14.5
85.02947	43.0
89.02422	6.3
95.01373	10.3
99.00879	9.7
100.95495	1.7
101.02442	72.2
113.02453	47.4
116.11952	1.9
136.86401	2.0
137.82578	2.7
143.03494	2.2
159.02985	10.2
159.04420	2.1
160.05304	11.0
161.04550	98.8
161.05952	3.4
167.10753	13.7
175.07645	9.0
178.06369	4.1
329.16525	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1734
Annotation	Carnosol
Peak:m/z	Relative Intensity
61.37599	0.6
64.83128	0.7
68.83157	0.7
71.71568	0.8
83.00151	0.6
91.05528	3.2
112.18014	0.6
121.73145	0.8
137.02176	1.5
138.12389	0.7
155.10695	0.9
186.53386	0.6
189.16478	1.4
215.18051	3.4
217.19557	1.7
229.15912	1.2
231.10365	0.7
243.13684	1.2
257.15244	54.1
261.18692	0.9
281.15283	0.9
283.16837	10.5
285.18399	8.7
293.21228	0.7
303.64490	0.7
317.17206	1.0
329.17374	100.0
329.23694	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38670	6.0
53.33457	6.5
55.47373	6.6
55.78261	5.9
56.52601	8.6
62.91032	6.7
68.46624	7.5
92.90026	7.3
113.50110	8.9
165.43727	8.6
183.13820	30.7
230.08429	9.9
242.56641	9.4
264.50360	10.4
293.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
74.51759	4.7
76.34151	5.3
99.59061	5.0
188.08571	9.1
216.07932	25.2
223.13539	6.3
285.14975	25.8
293.21194	100.0
329.23343	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16020	16.7
54.24972	17.9
59.01375	23.3
78.06207	21.1
83.43263	18.4
92.22469	36.4
104.25263	22.0
154.22473	19.0
158.65411	22.5
171.10249	26.1
186.96927	19.3
206.54884	19.4
255.79851	23.1
267.80222	25.3
293.21307	39.2
329.17648	100.0
329.23529	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26898	14.5
58.19715	17.0
78.31755	17.4
78.95928	21.5
106.66835	17.7
108.28322	20.3
152.99554	32.2
162.63951	23.0
162.65544	15.2
197.55115	17.7
277.27298	24.3
293.21204	100.0
329.17654	25.1
329.23251	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48983	6.5
52.03713	8.4
57.03469	7.9
59.01392	15.8
63.30472	7.4
72.18018	7.8
78.95901	40.2
82.68765	7.9
88.99668	9.9
114.29583	9.4
130.67627	8.9
133.90486	8.5
152.99638	100.0
156.45500	8.4
177.05545	18.7
203.08737	9.9
277.21841	72.3
283.26483	50.1
293.21326	12.9
329.22971	46.7
329.26910	13.0
329.30661	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.189
Annotation	Unknow
Peak:m/z	Relative Intensity
75.53150	13.6
79.66168	12.3
90.99751	12.8
92.22460	13.1
147.96207	14.2
153.93628	14.5
165.80075	15.9
292.29535	16.5
293.21222	100.0
321.93585	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58103	20.2
55.54316	18.2
63.78746	21.9
73.96701	21.5
87.99657	30.3
89.65407	27.2
95.60822	26.2
96.46811	30.3
156.96375	29.3
186.61775	27.9
267.91107	23.1
293.21265	100.0
329.27048	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35173	9.4
68.81419	9.6
98.68730	9.2
132.16019	9.7
139.11295	14.7
152.99527	15.5
171.10315	23.9
174.98177	9.6
177.71280	10.0
188.61681	11.1
211.13365	24.6
229.14499	13.7
255.41698	11.6
281.24915	88.8
293.21387	21.9
311.20538	19.0
329.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35173	9.4
68.81419	9.6
98.68730	9.2
132.16019	9.7
139.11295	14.7
152.99527	15.5
171.10315	23.9
174.98177	9.6
177.71280	10.0
188.61681	11.1
211.13365	24.6
229.14499	13.7
255.41698	11.6
281.24915	88.8
293.21387	21.9
311.20538	19.0
329.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	CHEBI:45412
Peak:m/z	Relative Intensity
57.03466	1.0
57.07924	0.9
59.01402	1.2
67.60536	0.8
77.67826	0.9
79.59248	0.8
83.76612	0.9
88.47244	0.9
96.97704	0.9
97.06556	7.9
111.08139	6.8
113.09715	1.0
123.08136	1.5
125.09713	100.0
127.11260	1.5
129.09239	1.4
139.11330	1.6
141.09262	1.7
157.08746	9.7
159.10269	28.4
169.08740	2.1
171.10272	3.9
173.08084	1.0
173.11784	1.4
178.28348	1.1
185.11687	3.0
187.09756	27.5
197.11684	1.3
201.11290	3.8
205.69650	0.9
211.13374	5.8
211.52147	0.9
229.14503	2.0
267.19684	4.3
280.66446	1.0
293.21191	7.1
311.18661	5.6
311.22348	3.5
329.04562	1.0
329.19696	91.0
329.23389	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21798	0.4
51.92177	0.5
55.06391	0.5
56.00533	0.5
57.00515	0.6
59.01393	0.7
63.57060	0.5
87.00867	100.0
99.08152	1.0
102.22687	0.6
116.23994	0.6
119.73938	0.6
129.09196	2.5
129.74873	0.5
129.92299	0.5
155.10806	1.0
181.12341	1.4
199.13408	3.8
211.13397	1.0
234.73376	0.6
241.18118	16.4
254.29395	0.7
267.19806	0.7
293.17899	0.8
329.19662	24.0
329.23401	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92571	0.9
51.79004	0.8
77.89677	0.9
86.68027	1.0
87.00869	100.0
127.11280	3.8
139.11272	1.8
155.10796	1.5
171.10275	15.7
199.09767	1.2
201.11345	19.9
241.18130	15.5
293.21255	1.6
329.19647	26.4
329.23373	50.9
348.52188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47090	0.8
57.03444	0.9
79.82391	0.7
84.60184	0.7
85.02919	2.9
86.03261	1.5
87.03403	0.7
97.06587	1.5
130.45395	0.7
162.58899	0.8
171.10239	4.5
172.10608	3.7
173.10773	4.7
184.14207	1.7
185.14516	3.1
211.13478	9.5
212.13750	11.9
213.13982	16.2
222.12143	1.2
223.12331	3.1
229.14453	4.2
230.14754	4.9
231.14978	11.8
237.86649	0.9
241.13477	1.0
247.74046	0.8
293.20605	1.6
295.64227	0.9
323.50818	0.8
329.22421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
56.41930	0.5
57.03439	0.8
61.54240	0.5
65.36803	0.6
70.43756	0.6
70.96847	0.6
74.30900	0.5
83.98337	0.6
83.99046	0.5
83.99647	0.6
85.58737	0.5
99.08148	6.0
125.09709	1.0
127.11236	0.8
139.11247	2.2
152.04646	0.6
155.14429	0.8
164.42459	0.6
167.14407	2.5
171.10239	6.8
183.13899	10.0
193.12325	3.3
209.11871	1.1
211.13416	40.6
229.14455	20.7
246.63077	0.6
311.22375	0.7
329.23361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.07880	0.8
54.17903	0.9
55.95450	0.9
57.03419	1.4
76.66014	1.0
92.22577	1.6
96.01812	0.9
96.04634	1.0
99.08157	4.5
102.96718	1.0
108.03236	0.9
113.52733	1.0
127.11295	7.8
133.05418	1.0
139.11287	25.7
139.81425	1.0
157.12346	1.3
171.10277	45.2
183.13921	2.0
211.13359	6.9
229.14366	4.6
324.21622	1.0
329.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
51.55399	0.6
56.35881	0.7
57.10904	0.8
61.73677	0.7
70.15873	0.7
74.60291	0.8
85.19734	0.7
97.17788	0.9
99.08141	6.4
125.09689	1.1
127.11261	4.5
127.49762	0.9
139.11293	10.4
141.16988	0.7
144.68463	0.8
146.72850	0.9
157.12306	0.9
171.10272	22.6
183.13873	6.1
209.11876	1.2
211.13405	37.1
229.14450	16.7
329.23358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2488
Annotation	7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid
Peak:m/z	Relative Intensity
53.34865	0.6
57.55472	0.7
59.01382	3.2
92.18242	0.9
134.00023	0.9
147.61246	0.8
172.60455	0.8
197.70531	1.0
231.21147	1.0
284.04404	0.8
285.25931	4.9
305.34445	0.9
329.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2488
Annotation	7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid
Peak:m/z	Relative Intensity
51.96681	2.7
54.47007	2.7
59.01371	16.6
60.28055	2.5
65.99896	2.9
70.44051	3.0
87.47420	3.4
92.22623	3.3
100.19919	3.3
119.09145	3.6
135.38063	3.8
162.51196	3.0
285.25916	18.8
329.24939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2698
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
55.09056	0.5
56.20423	0.5
57.62664	0.5
58.17166	0.6
71.01367	0.7
78.95908	1.4
93.79807	0.6
152.99617	4.6
153.00606	0.6
157.31464	0.6
193.88036	0.6
202.25983	0.6
211.13504	0.9
225.22334	4.6
253.25349	16.5
267.27054	0.7
271.22842	6.7
277.21619	0.8
281.24945	2.3
283.26419	13.6
299.25888	1.2
329.19043	5.5
329.27005	100.0
334.91272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.27
Annotation	2-Palmitoylglycerol
Peak:m/z	Relative Intensity
51.77610	1.0
52.66563	1.0
53.33408	1.1
59.01387	1.1
71.01376	68.8
78.95883	2.3
87.00868	18.0
89.02432	8.9
94.16959	1.2
152.99574	10.6
168.84859	1.3
239.23715	2.1
257.41296	1.3
277.21732	2.9
283.26584	1.9
329.23755	5.0
329.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83428	1.0
52.69154	0.9
56.18862	0.8
59.01369	1.3
62.86966	0.9
65.99492	0.8
68.01405	1.8
68.99799	2.4
73.52492	0.9
83.87075	1.0
94.02989	1.7
96.00927	1.6
96.04535	4.1
96.99297	5.8
99.00893	4.1
100.78691	1.0
103.86070	1.1
110.02475	6.8
112.00397	10.5
122.02432	2.2
124.00375	5.6
124.04003	5.5
126.02001	5.2
127.00352	4.0
138.01993	15.3
140.03537	8.3
142.32060	1.1
152.03531	1.3
159.03056	3.8
166.01437	2.7
168.02998	22.8
184.02525	7.3
186.04054	21.0
196.02589	1.8
198.04140	7.8
210.00465	2.3
226.03595	5.9
242.03062	4.7
270.02603	15.0
278.63721	1.4
330.04703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22012	1.2
72.99306	46.0
75.23975	1.4
77.54150	1.4
100.82315	1.4
118.73882	1.4
120.35418	1.3
154.00955	21.6
166.00941	32.4
167.01707	5.7
169.03291	32.6
181.03348	8.5
183.01230	13.6
206.95274	1.6
209.99950	13.8
225.02283	58.1
232.38052	1.7
243.03323	100.0
254.08252	2.3
283.08588	2.2
330.06546	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51620	0.6
62.34217	0.7
72.99300	38.9
75.62324	0.8
123.04482	5.3
124.04818	4.8
153.00076	1.0
154.00938	19.0
155.37349	0.9
166.00914	29.4
167.01750	2.0
169.03271	26.8
181.03200	5.9
182.00478	1.1
183.01198	10.3
185.61969	0.9
197.02689	1.6
209.99925	11.2
225.02278	52.2
228.01035	1.1
243.03320	100.0
286.10318	1.1
289.12350	0.8
296.53021	0.8
330.06525	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10634	0.7
61.91017	0.7
69.77855	0.7
72.91288	0.8
72.99303	35.7
95.08478	0.9
130.63319	0.9
151.81657	0.9
154.00941	17.9
166.00929	30.5
167.01715	3.3
169.03293	29.0
181.03302	6.5
183.01242	11.2
184.02014	0.9
186.97841	1.0
209.99919	12.9
225.02293	50.3
225.04510	2.1
243.03325	100.0
293.77139	0.9
305.29898	1.0
313.84305	0.8
330.06555	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92768	1.3
70.02074	1.7
72.99301	40.9
75.20959	1.6
146.33398	1.8
150.01173	2.0
153.00262	2.1
154.00909	16.2
166.00934	29.5
167.01741	1.8
169.03275	34.9
181.03267	8.6
183.01196	12.4
209.99953	12.8
225.02280	52.7
243.03314	100.0
330.06552	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63691	0.6
56.92431	0.8
59.01378	3.1
60.63058	0.6
66.02079	0.8
66.56854	0.8
68.75040	0.8
72.99303	37.7
74.23679	0.8
94.68504	0.8
154.00929	16.1
166.00941	29.5
166.99820	1.1
167.01816	1.3
168.14098	0.8
169.03279	29.8
181.03297	6.3
183.01207	9.7
202.24269	0.9
209.99945	12.7
225.02281	54.2
243.03331	100.0
244.31671	1.0
330.06558	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49260	0.5
69.25589	0.4
74.02460	0.6
74.54169	0.5
88.04043	0.9
95.98131	0.5
104.03516	0.6
111.03502	0.6
117.01929	0.5
128.69283	0.5
138.03200	0.9
145.16548	0.5
167.02263	2.5
168.03026	100.0
225.11314	1.1
242.08278	0.7
330.08463	25.1
330.11710	1.3
330.15286	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18915	2.1
60.88428	2.0
61.90680	2.5
70.79781	2.2
103.13955	2.7
152.99632	4.3
154.03568	2.7
171.10327	3.1
172.10551	5.5
175.30054	2.6
184.14079	3.4
199.13425	4.4
209.04391	2.9
211.13428	17.7
211.17056	15.1
212.13760	18.3
221.15450	4.2
222.34958	2.6
230.14862	2.9
239.16556	100.0
250.14522	10.0
260.15765	3.8
268.15631	22.0
283.15561	44.7
330.15823	18.2
330.23712	97.1
330.27652	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77485	0.5
51.50901	0.5
54.76705	0.5
59.01382	100.0
84.00946	0.6
92.22456	0.7
102.02496	0.6
102.40681	0.6
112.24883	0.6
133.32330	0.7
135.82805	0.7
168.47914	0.7
181.78928	0.7
214.14510	3.1
248.39940	0.7
270.17169	8.7
276.17542	0.8
300.06534	0.9
330.10873	0.9
330.19687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83001	1.0
54.23872	0.9
56.24802	1.0
58.02974	2.1
59.01380	8.0
78.95889	1.4
90.60698	1.1
92.10966	1.1
92.25052	1.1
99.08142	4.6
101.14187	1.0
111.08142	1.4
113.09704	18.4
115.07675	1.8
127.07646	9.6
128.11594	2.0
129.09210	39.5
139.11290	5.1
140.11635	2.3
152.99585	5.6
165.84991	1.4
170.15494	5.7
171.10248	9.0
172.10616	9.1
180.13977	11.9
181.12338	4.9
184.17091	2.4
187.39641	1.2
194.15558	4.6
195.14009	3.7
198.15004	46.7
199.13692	1.3
210.15016	36.7
211.13419	5.7
212.13727	7.2
212.16576	5.9
228.16048	37.6
230.14780	2.1
276.23221	2.2
279.23267	2.7
294.24664	2.2
312.25504	6.5
330.23489	34.7
330.26578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45095	1.3
57.03441	1.4
58.00600	1.4
58.02981	3.5
58.84157	1.5
59.01377	3.6
61.15736	1.3
73.13797	1.4
116.08615	1.6
125.09698	2.6
126.10030	2.0
127.11271	7.3
128.11621	2.7
136.91875	1.5
139.11276	6.2
139.86859	1.7
140.11653	6.1
141.12895	2.8
142.12347	1.8
152.99565	7.1
155.10739	7.4
155.21423	1.8
156.11075	1.7
157.12335	24.8
167.61444	1.7
170.11848	23.7
171.10255	16.9
172.10593	25.2
182.11826	6.9
183.75372	1.8
184.13385	3.3
192.56825	1.8
200.12886	13.3
201.11287	24.4
201.12732	1.6
202.11679	28.5
276.23291	3.1
279.23199	3.3
294.21652	6.5
330.23633	100.0
330.26715	29.8
352.66077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25399	1.3
52.87959	1.5
58.00589	2.1
58.02969	6.9
59.01376	7.8
72.24178	1.4
76.94096	1.6
78.95895	3.9
81.64309	1.7
96.60670	1.5
99.08118	1.8
109.64181	1.4
111.08132	2.2
113.09724	1.8
125.09667	2.4
128.10783	9.0
132.08122	6.1
132.46078	1.6
138.09271	7.8
139.11256	1.9
140.10771	2.7
141.12863	7.7
150.09250	11.2
152.99580	18.5
155.14406	19.6
156.10291	51.4
168.10298	8.1
169.12360	9.6
170.11816	3.2
171.13907	43.1
172.10612	2.7
184.20273	1.6
185.11824	3.8
186.11276	46.8
187.58003	1.8
201.11331	2.3
202.11723	4.1
210.73705	2.1
212.13710	4.1
276.23502	7.7
279.23361	6.8
294.21454	7.9
308.59039	1.7
312.22482	6.2
330.23526	68.7
330.26590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.02979	2.9
59.01376	6.7
75.01145	1.2
78.95890	1.5
99.08168	2.6
113.09702	7.6
116.51700	1.1
122.98942	1.1
126.82795	1.2
127.07668	2.2
127.11309	8.7
128.88866	1.2
129.09209	9.3
136.77219	1.3
139.11320	1.9
141.09254	1.9
142.12410	2.0
143.10770	15.0
152.10809	1.9
152.99564	2.9
155.10776	4.9
156.13965	2.2
157.12347	24.9
167.10825	1.9
170.11850	24.8
171.10214	2.4
172.10608	1.7
180.13846	3.0
181.12398	1.8
182.11736	8.7
184.13373	13.7
194.15488	2.6
196.13390	8.6
198.15019	15.2
199.13451	1.9
200.12950	20.0
202.11996	1.7
210.14978	11.7
211.13342	2.1
212.13853	4.5
212.16570	1.3
214.14520	12.2
217.83456	1.5
228.16107	6.5
229.14389	1.3
259.51077	1.6
276.23346	2.9
279.23190	2.6
292.22955	1.4
310.23911	2.5
312.25613	2.2
330.23462	24.1
330.26566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25399	1.3
52.87959	1.5
58.00589	2.1
58.02969	6.9
59.01376	7.8
72.24178	1.4
76.94096	1.6
78.95895	3.9
81.64309	1.7
96.60670	1.5
99.08118	1.8
109.64181	1.4
111.08132	2.2
113.09724	1.8
125.09667	2.4
128.10783	9.0
132.08122	6.1
132.46078	1.6
138.09271	7.8
139.11256	1.9
140.10771	2.7
141.12863	7.7
150.09250	11.2
152.99580	18.5
155.14406	19.6
156.10291	51.4
168.10298	8.1
169.12360	9.6
170.11816	3.2
171.13907	43.1
172.10612	2.7
184.20273	1.6
185.11824	3.8
186.11276	46.8
187.58003	1.8
201.11331	2.3
202.11723	4.1
210.73705	2.1
212.13710	4.1
276.23502	7.7
279.23361	6.8
294.21454	7.9
308.59039	1.7
312.22482	6.2
330.23526	68.7
330.26590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93331	2.4
55.69823	2.1
58.02958	2.2
59.01381	5.3
62.31766	2.3
92.22473	2.8
95.18179	2.6
99.08157	10.1
104.38866	2.7
107.26629	2.1
110.56090	2.9
113.09695	16.4
127.07633	4.9
127.11331	3.2
129.09224	38.0
139.11282	13.6
140.11600	10.2
152.99583	5.5
171.10246	24.6
172.10631	24.3
180.13858	4.4
184.17043	3.0
198.14996	45.7
209.12430	2.5
210.14957	25.6
211.13387	4.4
212.13707	12.2
212.16595	5.0
228.16083	24.5
230.14728	3.1
276.23206	3.7
310.08243	2.8
312.25607	9.4
330.23553	92.9
330.26627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87758	1.9
57.63992	1.9
59.01382	100.0
59.87264	1.9
97.82374	2.0
97.98820	2.5
113.48730	2.4
152.99606	5.9
190.50204	2.5
210.86313	2.6
270.24475	3.4
279.23145	2.8
322.47379	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.4
67.90157	1.0
71.01376	1.7
72.99300	40.5
73.60128	1.2
142.36201	1.1
143.48840	1.1
149.54431	1.1
154.00932	15.9
166.00949	23.0
167.01747	2.3
169.03273	27.3
181.03281	6.6
183.01212	11.6
209.99899	12.7
225.02280	64.3
243.03329	95.5
268.68118	1.2
331.04956	100.0
331.17639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18235	0.3
66.37740	0.4
68.95421	0.4
69.03438	0.5
73.86101	0.4
87.44904	0.4
92.82297	0.4
125.02441	29.7
153.01935	5.2
168.04260	2.6
169.01427	100.0
202.85574	0.4
209.94083	0.4
256.40564	0.4
331.06812	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
59.26426	1.0
63.92105	0.7
64.87658	0.9
67.93924	0.8
74.45518	0.9
123.00928	1.1
124.01661	5.7
125.02435	65.6
148.83444	0.9
149.99590	15.0
151.00398	1.6
151.04053	1.4
167.03476	2.0
168.00638	86.4
169.01436	6.3
213.84790	1.0
216.50307	1.0
244.03212	1.0
250.19987	1.1
259.04675	1.1
313.05658	10.3
331.06747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40093	0.8
59.58133	0.7
61.09969	0.7
62.43138	0.7
67.51693	0.7
71.41292	0.8
89.18354	0.7
123.00858	1.4
124.01671	5.4
125.02433	61.6
139.41325	0.7
149.99573	14.6
151.00394	1.6
153.01918	1.4
167.03455	1.4
168.00636	76.6
169.01434	4.9
179.98790	0.8
209.45372	0.8
243.03342	3.5
313.05643	10.5
331.06741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74366	0.6
57.03432	1.1
59.01379	1.8
59.41794	0.6
60.12268	0.7
65.19731	0.8
66.16212	0.8
71.01383	0.9
83.01386	5.2
85.02966	0.9
97.34019	0.9
107.01369	2.1
108.02179	6.1
109.02938	1.3
123.04505	1.1
125.02434	60.7
129.92166	0.9
137.02536	1.1
151.00369	60.0
151.04012	5.1
165.01891	1.5
167.03606	3.1
168.00661	7.4
169.01430	52.5
169.02899	1.7
170.81680	1.1
173.04665	0.9
175.00395	8.6
193.01402	4.4
211.02557	4.0
241.20866	0.9
256.91370	0.8
264.23151	0.9
271.04617	1.3
271.08295	1.0
298.10626	0.9
331.06747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
59.26426	1.0
63.92105	0.7
64.87658	0.9
67.93924	0.8
74.45518	0.9
123.00928	1.1
124.01661	5.7
125.02435	65.6
148.83444	0.9
149.99590	15.0
151.00398	1.6
151.04053	1.4
167.03476	2.0
168.00638	86.4
169.01436	6.3
213.84790	1.0
216.50307	1.0
244.03212	1.0
250.19987	1.1
259.04675	1.1
313.05658	10.3
331.06747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.62116	0.6
54.11384	0.6
55.57986	0.8
73.54375	0.7
87.39861	0.8
124.01660	5.8
125.02437	58.4
149.99570	13.2
151.00395	1.8
168.00645	77.4
169.01445	9.3
194.91594	0.9
313.05643	12.4
331.06750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.60981	0.5
51.81332	0.5
60.61993	0.6
63.19555	0.5
65.58699	0.5
71.01354	0.8
79.16837	0.6
79.18127	0.6
83.36173	0.5
85.02941	0.7
87.13428	0.6
89.66318	0.6
111.00857	1.1
113.02451	1.0
118.61562	0.7
123.04572	0.6
125.02437	35.4
129.54713	0.7
137.99538	0.8
140.01151	2.2
149.99670	0.8
151.00444	0.7
152.01151	0.8
153.01935	38.6
154.02768	1.1
155.03427	4.5
164.98309	2.9
167.03520	4.9
168.00697	1.5
168.04274	21.7
169.01424	100.0
169.05084	3.7
180.00655	2.7
182.99368	11.6
198.01707	18.9
313.05707	1.4
331.06778	38.6
331.10446	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56651	0.4
61.95541	0.4
62.50329	0.4
66.74746	0.5
71.01018	0.5
76.08707	0.4
77.28374	0.4
88.04159	0.4
92.23090	1.0
125.02429	32.9
153.01958	0.8
169.01418	100.0
214.93581	1.1
242.16043	0.5
331.06689	6.7
334.95639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01380	7.6
71.01383	3.8
77.94135	0.8
79.30927	0.7
81.03451	1.2
83.01379	6.8
85.02942	3.9
87.00850	0.9
89.02442	4.8
95.05040	0.7
97.02930	1.6
99.00855	0.8
99.04520	6.2
107.01361	2.9
113.02428	0.9
115.04034	5.1
123.04472	1.0
125.02441	64.2
125.06043	0.9
139.04022	0.9
149.02454	1.4
150.05708	0.7
151.00369	64.9
151.03981	1.5
167.03510	1.5
167.07210	0.9
168.00642	4.9
169.01418	41.0
169.05061	3.7
175.00352	10.3
191.05617	1.4
193.01439	6.2
193.05168	1.7
205.01431	0.9
211.02487	1.3
211.06178	2.6
240.12398	1.2
251.40019	0.8
285.07718	6.1
300.10046	3.0
308.85388	0.8
331.06763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.67079	0.7
55.16813	0.7
63.09706	0.7
65.43720	0.7
66.55827	0.6
71.01375	4.0
73.99964	0.7
76.96334	0.8
85.02934	4.9
92.22510	1.0
94.34914	0.9
113.02425	1.3
124.01633	6.1
125.02431	51.3
149.99559	13.5
151.00360	1.7
164.89287	0.9
166.01321	0.8
167.03473	1.0
168.00636	80.1
169.01430	5.1
221.71266	0.9
313.05783	10.5
331.06738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.46589	0.6
58.33346	0.7
59.93932	0.7
67.67036	0.7
77.49089	0.6
85.43575	0.6
100.65201	0.7
107.23705	0.7
124.01634	4.9
125.02436	54.5
149.99574	16.3
151.00316	1.8
160.31517	0.8
168.00639	76.4
169.01466	5.1
234.75789	0.8
313.05658	11.8
331.06744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98454	0.6
58.62723	0.7
66.64037	0.7
77.97444	0.6
85.43738	0.6
86.05275	0.8
86.67966	0.7
97.02970	0.8
99.51917	0.7
105.91490	0.7
107.04751	0.7
124.01622	4.4
125.02433	64.2
131.37895	0.8
138.99614	0.8
149.69751	0.7
149.99591	17.2
151.00363	1.3
167.03496	1.3
168.00639	77.0
169.01439	5.1
313.05606	11.4
331.06741	100.0
352.60339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76069	0.6
70.63805	0.6
88.88203	0.7
106.61846	0.7
123.00829	1.2
124.01691	5.2
124.02451	0.7
125.02436	56.8
128.93396	0.7
149.99576	14.6
151.00310	1.3
151.04028	0.8
154.80872	0.7
167.03477	1.0
168.00647	80.3
169.01418	5.7
178.12627	0.8
232.76103	0.7
313.05756	10.6
331.06757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0676
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.91781	0.4
52.95646	0.4
54.73075	0.4
55.98137	0.4
59.06809	0.4
59.87886	0.4
77.92243	0.4
78.46177	0.4
79.87469	0.4
97.02953	0.7
111.04613	0.5
123.00871	1.0
124.01644	5.6
125.02441	56.8
137.02525	0.5
149.99585	14.3
151.00378	2.3
152.35211	0.5
154.02721	2.4
168.00647	75.7
169.01465	4.5
169.05109	2.0
185.35321	0.4
189.29886	0.4
193.01353	0.6
209.57707	0.5
244.26341	0.5
278.42148	0.6
306.06320	0.6
313.05759	9.9
331.06763	100.0
342.86954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00237	0.4
55.59627	0.4
59.01374	0.5
62.21478	0.4
68.31242	0.4
72.97536	3.5
97.02937	0.8
107.57343	0.4
123.00930	0.7
124.01634	6.6
125.02432	57.8
129.48653	0.5
133.96776	1.0
134.97594	1.0
137.02435	0.8
141.89362	0.5
149.99576	13.6
151.00369	4.8
151.03996	0.8
153.02036	0.5
167.03453	0.8
168.00636	80.6
169.01422	13.0
169.05005	5.2
169.06267	0.5
239.54843	0.6
243.23935	0.4
247.77216	0.5
252.50330	0.6
305.12997	0.5
313.05688	9.7
331.06744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04958	0.6
59.87463	0.6
85.89712	0.7
102.56824	0.8
124.01653	6.0
125.02437	58.4
142.01874	0.6
149.99573	15.4
151.00394	1.6
168.00642	84.2
169.01442	6.7
189.38829	0.7
221.25209	0.7
243.30753	0.7
265.15839	0.7
313.05612	10.8
331.06750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90985	4.9
55.88308	5.6
61.69454	6.9
68.76282	6.6
79.44212	6.4
103.83337	6.4
115.00358	35.3
133.01413	100.0
153.01974	15.6
168.04176	6.3
185.02376	10.0
214.93500	8.7
243.03421	10.4
244.03683	26.0
316.58444	7.2
331.06671	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92939	0.6
59.58948	0.6
65.01336	0.7
80.05060	28.4
106.02968	10.5
106.85129	0.7
121.05312	1.3
124.04036	16.6
127.16175	0.7
136.07678	100.0
136.54817	0.8
150.01970	15.4
168.02904	1.0
215.11938	7.8
225.10321	0.7
230.59885	0.8
243.11400	12.0
287.10406	68.6
304.34244	0.7
331.09409	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07585	0.4
52.51385	0.4
59.01369	2.3
59.91233	0.5
65.59519	0.4
74.27081	0.5
74.27516	0.5
81.20705	0.5
84.04542	1.1
102.40563	0.5
116.16822	0.5
118.02981	8.4
122.81268	0.5
124.07665	2.7
136.07639	1.0
150.05614	1.1
158.06091	0.8
171.10258	0.7
177.06711	0.6
188.10854	0.9
199.46313	0.5
200.10858	10.9
213.06837	0.5
215.08305	2.9
215.11827	4.0
216.10275	0.7
225.10358	0.9
226.08813	2.5
228.09065	1.2
237.89079	0.5
243.11383	100.0
264.46399	0.5
287.10394	46.0
331.09384	18.0
331.13220	2.1
331.17474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.104
Annotation	Unedoside
Peak:m/z	Relative Intensity
52.95835	0.4
59.01378	2.5
63.65158	0.4
69.05617	0.4
71.01364	1.0
75.00839	0.5
75.61994	0.4
87.00874	1.7
89.02460	0.5
96.96964	0.4
98.02432	0.4
109.02942	2.1
122.03725	0.6
123.04514	16.3
125.02431	7.5
149.02438	0.7
150.03220	21.4
151.04005	100.0
169.01424	21.5
169.05066	9.8
264.34274	0.5
313.09286	16.6
331.06754	3.7
331.10507	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86914	0.4
67.92312	0.5
71.01386	1.1
84.39909	0.5
101.02451	0.7
103.36743	0.5
110.00081	1.0
113.02442	2.4
125.02424	7.3
137.99568	2.2
139.00359	1.3
152.01164	2.0
153.01933	100.0
153.13368	0.5
154.02719	6.5
161.04543	2.8
164.45805	0.5
166.02711	0.7
167.03497	8.5
168.04283	56.4
169.01418	14.5
169.05081	11.2
179.03574	0.6
191.03525	0.7
195.06627	0.7
274.28552	0.7
331.06720	1.2
331.10339	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57744	0.5
55.60157	0.5
71.01371	0.7
75.57078	0.6
85.02945	1.4
109.53196	0.5
110.00072	0.9
113.02463	0.8
124.49738	0.6
125.02426	6.2
137.99548	1.1
139.00323	0.9
141.32072	0.6
152.01157	3.3
153.01936	100.0
154.02715	3.8
155.03444	0.7
161.04559	1.2
167.03505	9.8
168.04282	55.9
169.01427	12.9
169.05066	8.0
191.03514	0.9
201.85712	0.6
209.04570	0.7
258.20313	0.6
331.06671	1.4
331.10391	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.97337	2.7
59.01369	5.3
59.20436	3.4
60.65877	2.9
62.29638	3.2
62.78548	2.9
71.01376	41.2
73.02949	16.2
74.97684	3.3
83.01390	3.8
85.02957	21.4
95.01308	3.2
99.00883	4.9
101.02445	14.8
113.02435	19.3
125.38467	3.6
139.00391	35.3
153.01941	100.0
154.02719	78.1
161.04552	21.7
163.52094	3.5
167.03516	4.3
168.04262	64.6
169.05067	63.7
282.02206	3.4
331.10406	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
51.85720	1.1
53.04312	1.3
59.01384	7.1
71.01379	33.9
73.02935	10.1
83.01375	3.2
85.02921	15.1
86.12672	1.3
87.00860	2.0
89.02436	2.8
95.01398	2.2
99.00867	2.1
101.02448	15.6
113.02439	14.7
118.24854	1.4
139.00385	29.6
152.01143	2.4
153.01924	100.0
154.02716	68.4
159.02998	3.1
161.04556	20.0
167.03481	10.1
168.04266	52.1
169.05048	51.1
199.52171	1.6
229.33504	1.4
257.33136	1.4
299.07797	1.6
331.10361	16.5
331.17352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95835	0.4
59.01378	2.5
63.65158	0.4
69.05617	0.4
71.01364	1.0
75.00839	0.5
75.61994	0.4
87.00874	1.7
89.02460	0.5
96.96964	0.4
98.02432	0.4
109.02942	2.1
122.03725	0.6
123.04514	16.3
125.02431	7.5
149.02438	0.7
150.03220	21.4
151.04005	100.0
169.01424	21.5
169.05066	9.8
264.34274	0.5
313.09286	16.6
331.06754	3.7
331.10507	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04005	0.7
57.33253	0.7
63.02404	1.3
85.01579	0.7
91.01890	36.1
119.88127	0.9
121.89015	0.9
122.03703	1.8
148.01765	1.0
153.01886	1.8
169.06587	19.3
193.01456	6.0
195.08167	6.3
213.09239	32.0
225.05389	1.3
239.07156	100.0
243.06618	4.7
253.05119	3.9
257.08228	49.9
280.47012	0.9
282.05249	7.6
283.06088	4.2
285.07767	0.9
313.07220	40.2
316.92313	0.9
331.08142	9.6
331.11981	8.0
331.24448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.119
Annotation	CHEBI:67391
Peak:m/z	Relative Intensity
59.01391	9.9
126.65882	0.8
150.03279	0.9
165.02003	1.3
179.03468	1.3
195.06674	1.2
199.04036	1.2
205.96999	1.0
227.03528	3.9
242.05789	1.0
243.06541	1.0
255.06654	8.1
268.03665	1.5
270.05399	26.0
270.08868	3.6
271.06104	13.5
283.05963	6.2
285.07712	100.0
286.04974	2.0
286.08157	2.4
298.08588	1.7
300.10049	43.0
301.07227	3.6
301.10867	13.1
313.16437	1.3
316.09457	3.3
331.08392	1.4
331.11932	32.9
331.17645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1192
Annotation	CHEBI:67391
Peak:m/z	Relative Intensity
55.82546	0.7
59.01378	3.3
69.18006	0.7
71.01381	1.9
85.02966	0.9
101.02474	1.7
113.02453	0.8
113.92725	0.8
122.94547	0.7
125.02422	0.8
151.03973	1.8
157.25969	0.8
165.01941	1.0
179.03525	3.6
180.04333	1.9
195.06621	1.0
199.03981	3.8
227.03561	3.9
241.05063	1.4
242.06065	1.0
255.02888	1.6
255.06647	8.8
268.03784	3.6
270.05377	23.5
270.08850	4.0
271.06122	16.7
283.06192	9.6
285.07727	100.0
286.04996	3.3
286.08578	1.8
298.08377	2.0
300.10071	46.1
301.07227	6.6
301.10870	12.8
313.10986	1.2
316.09521	4.0
331.08167	6.6
331.11777	32.2
331.17789	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1189
Annotation	Fisetinidol-4beta-ol 7,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
58.91615	0.5
59.01373	0.9
60.20040	0.5
110.84576	0.6
115.58878	0.6
118.09423	0.7
125.02441	0.9
125.05914	0.8
138.70900	0.7
143.38585	0.6
151.04033	4.2
153.01965	0.8
165.01874	1.3
177.26228	0.6
179.03589	1.7
195.06488	0.9
199.04018	2.8
203.82687	0.7
211.04141	0.7
227.03464	3.4
240.04308	1.4
242.05881	0.7
255.02946	3.0
255.06607	7.6
257.08194	1.3
268.03754	2.8
270.05338	25.1
270.08902	4.6
271.06128	14.1
283.06271	5.8
283.37903	0.8
285.07706	100.0
286.04831	3.1
286.08490	3.8
298.08374	1.0
300.10040	46.6
301.07333	3.2
301.10825	14.5
313.10397	1.0
316.09216	1.9
331.07516	1.4
331.11926	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.46858	0.4
58.41444	0.4
59.01382	5.4
61.72086	0.4
71.01379	4.5
71.05007	0.6
72.97511	0.4
73.02936	0.9
83.01391	0.7
85.02949	100.0
89.02444	1.1
89.97568	0.4
90.35401	0.4
92.22514	0.7
99.04527	6.6
101.02451	5.0
113.02447	2.3
127.04018	0.8
131.03516	0.7
151.11292	0.6
153.01913	1.1
161.04549	2.0
168.04318	0.8
169.12306	2.1
184.05321	0.5
243.03040	0.5
299.86462	0.5
301.07294	0.6
331.14151	1.8
331.17749	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1555
Annotation	CHEBI:69896
Peak:m/z	Relative Intensity
50.14501	1.4
51.14236	1.2
57.70972	1.2
58.74216	1.6
59.01385	2.2
74.86559	1.3
79.69297	1.6
79.95733	3.3
122.03754	2.5
135.04527	8.4
136.05287	7.3
149.02519	2.0
150.03224	21.7
153.01910	7.0
155.61357	1.7
163.04012	16.0
164.04799	56.0
165.05573	1.6
168.04225	2.1
174.03224	11.7
176.04784	2.2
178.02695	21.7
185.34566	1.5
193.05055	2.7
204.07985	10.2
245.11835	7.3
246.88647	1.7
274.70435	1.6
288.13660	3.3
301.07141	3.3
303.16025	67.3
313.14737	5.2
331.11996	14.3
331.15527	100.0
331.19479	3.9
331.24161	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
78.88937	19.7
138.83775	16.7
249.09033	20.3
256.80423	18.1
295.19250	100.0
305.58234	21.4
331.19168	80.5
331.23471	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37563	3.3
59.01382	100.0
68.11936	3.8
71.01379	83.3
73.02930	17.1
83.01402	7.5
85.02935	28.9
89.02434	33.5
95.01363	7.6
99.00883	7.2
101.02434	50.5
101.93246	3.8
111.00863	5.6
113.02458	43.0
119.03468	18.5
126.11068	4.1
159.02899	4.8
161.04556	44.8
191.05544	5.4
241.61871	4.1
285.07776	5.4
297.35623	4.3
301.07211	5.2
331.17682	30.5
335.65869	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01384	90.6
61.75493	2.6
68.17072	2.5
71.01005	5.8
71.01379	100.0
73.02942	23.8
83.01395	15.9
85.02948	55.8
87.00904	3.1
87.96219	2.6
89.02426	53.1
92.22475	2.8
93.44437	3.0
95.01411	5.3
99.00881	12.7
101.02441	68.4
113.02444	50.3
119.03484	16.4
127.04025	3.5
129.00072	3.0
143.03447	3.2
152.60750	3.5
159.02942	4.2
161.04530	47.5
166.78966	3.6
168.04327	5.8
179.05591	3.9
198.01704	6.0
241.05513	3.5
269.13062	5.3
296.83832	3.6
331.06509	3.2
331.13980	4.7
331.17621	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Rosiridin
Peak:m/z	Relative Intensity
59.01383	30.8
63.91489	2.2
71.01380	59.0
73.02937	23.3
76.00887	2.0
77.65872	1.8
83.01387	9.1
85.02949	35.0
87.00859	2.8
89.02441	2.2
95.01389	7.8
97.02931	2.1
99.00897	5.0
101.02441	58.8
113.02426	29.5
125.02437	4.8
125.48695	1.8
159.02966	3.9
161.04564	51.3
168.00647	3.8
331.06754	10.4
331.13553	4.5
331.17673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Rosiridin
Peak:m/z	Relative Intensity
53.89944	2.5
55.01882	3.6
57.03457	3.7
59.01387	84.1
69.30673	1.8
71.01381	100.0
71.01776	3.2
73.02937	24.5
74.15488	2.2
75.00821	2.8
83.01385	17.4
85.02947	58.9
88.03523	2.1
89.02441	39.4
95.01400	5.9
97.02931	4.1
99.00857	10.0
101.02449	64.6
113.02432	51.5
115.04029	13.2
119.03467	17.7
143.03430	3.2
159.02983	5.9
161.04555	48.5
168.02142	2.5
169.22104	2.4
236.68027	2.3
331.17651	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Rosiridin
Peak:m/z	Relative Intensity
51.25659	1.2
51.69678	1.1
54.36535	1.2
55.01874	3.9
57.03448	2.1
59.01381	30.0
62.10278	1.4
63.38089	1.6
71.01382	91.3
71.01785	2.9
73.02946	38.8
75.00873	2.2
75.23308	1.4
83.01398	15.7
85.02948	48.8
87.00863	2.2
88.12480	1.4
89.02435	3.1
95.01373	7.6
97.02881	2.5
99.00871	13.3
101.02441	68.3
103.33568	1.5
113.02448	49.5
127.84705	1.9
142.65308	1.5
143.03496	5.6
151.00365	1.7
159.02986	9.6
161.04561	100.0
169.12393	16.6
173.04834	1.7
228.51050	1.6
285.07700	10.9
300.10098	3.1
301.10608	2.0
331.07996	3.8
331.11584	2.6
331.17670	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01868	1.8
59.01381	25.8
66.65678	0.9
68.89663	1.0
71.01378	25.6
73.02946	15.3
83.01402	7.9
85.02953	18.7
87.00898	1.0
89.02435	2.2
99.00869	5.3
101.01784	1.4
101.02441	42.1
113.02454	14.2
132.10098	1.1
159.02989	2.4
161.04556	16.7
169.12260	1.3
257.04709	1.4
258.05316	11.4
285.07666	1.3
287.05634	1.6
301.07047	4.1
316.05954	2.3
328.11450	1.2
331.08398	21.0
331.17657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01874	1.7
56.89172	1.2
57.03450	1.7
59.01384	67.8
71.01380	61.0
72.99303	1.6
73.02941	14.8
83.01379	6.7
85.02942	19.4
87.00851	2.4
89.02442	47.9
95.01369	2.5
99.00854	3.0
101.02441	55.1
104.21224	1.7
110.11038	1.5
113.02438	35.1
119.03465	13.7
125.02428	3.4
143.03540	2.1
159.02942	2.2
161.04555	27.8
170.01498	1.7
179.05640	3.7
215.51820	1.7
270.05347	2.9
285.07825	9.3
300.10010	6.5
331.17670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01881	1.4
57.37028	0.8
59.01383	62.8
62.28497	0.9
63.14540	0.8
64.22057	0.8
68.29704	0.9
69.47597	0.9
70.32170	0.9
71.01378	42.6
72.99310	1.1
73.02949	6.9
83.01375	3.9
85.02950	12.7
87.21530	1.1
89.02441	50.7
90.28574	1.0
95.01360	2.3
97.02950	1.0
101.02442	38.6
113.02448	28.0
116.15435	1.1
119.03504	19.9
119.04980	12.8
125.02453	2.1
143.03453	1.2
153.01825	1.6
159.03062	1.7
161.04570	17.3
161.44086	1.0
169.12402	1.3
179.05595	6.9
207.30049	0.9
230.39406	1.1
285.07849	2.1
288.96890	1.2
310.33679	1.2
331.08624	11.2
331.17667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14926	1.2
54.78441	1.2
58.94873	1.1
59.01381	100.0
60.66772	1.1
67.52789	1.4
71.01376	3.1
75.00873	8.4
80.05051	2.3
85.02953	1.7
89.02457	2.3
101.02428	7.4
136.07704	7.8
150.02074	1.8
154.97000	1.5
183.95886	1.2
227.16634	1.7
239.14732	1.4
255.16194	1.9
285.07809	1.9
287.10458	5.0
289.16516	9.8
331.12387	1.7
331.17499	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34897	1.0
59.01385	25.3
71.34386	1.2
83.11341	1.0
92.23101	1.2
109.56422	1.1
130.19331	1.3
134.06245	1.1
149.73537	1.2
249.18622	100.0
260.47940	1.3
298.65686	1.3
317.32581	1.5
331.18906	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1919
Annotation	Sphaeropsidin C
Peak:m/z	Relative Intensity
54.36068	0.5
59.01381	8.2
77.41385	0.6
82.33932	0.5
120.25040	0.5
182.36417	0.6
196.55959	0.6
268.34045	0.6
287.20203	100.0
331.19193	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31396	2.3
59.01372	20.9
60.69455	2.3
138.59135	2.5
152.99547	5.4
171.14119	2.7
249.18617	100.0
281.24905	2.8
295.22784	3.3
331.18924	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31396	2.3
59.01372	20.9
60.69455	2.3
138.59135	2.5
152.99547	5.4
171.14119	2.7
249.18617	100.0
281.24905	2.8
295.22784	3.3
331.18924	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47808	50.8
59.12806	54.0
59.13231	47.7
60.18533	47.6
61.37529	56.8
81.36457	65.0
151.90735	92.1
220.56108	67.0
230.81857	72.2
266.90280	71.1
295.22690	100.0
341.75037	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94699	6.7
55.83756	7.1
56.21448	7.2
57.50573	7.6
61.54197	8.1
75.16788	8.8
125.77944	9.7
158.04320	9.3
182.33971	12.2
295.22839	100.0
318.30951	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24758	67.3
66.56243	79.8
86.54688	90.4
146.41685	100.0
168.58176	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91963	15.9
76.87554	15.3
78.95892	23.8
86.87205	16.9
101.34566	16.7
152.99574	100.0
279.23486	18.3
281.24805	24.8
295.22836	91.1
329.28235	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2281
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
57.41942	0.4
81.03468	1.0
95.30626	0.5
109.06552	0.5
121.06596	0.8
123.08171	2.3
147.08157	0.5
161.09744	2.3
163.11310	0.8
219.17480	5.7
270.19998	0.6
271.20645	2.4
287.23825	100.0
302.18924	1.1
331.22794	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2493
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.02456	0.4
58.93375	0.4
59.01379	0.7
59.38358	0.4
60.48931	0.4
75.83944	0.4
99.08147	2.5
109.85001	0.5
110.20896	0.5
117.22378	0.5
124.41001	0.5
125.09746	0.8
127.11300	2.4
129.09119	0.5
133.40712	0.7
155.10788	2.1
157.12283	1.1
171.10287	3.7
176.74445	0.5
195.13901	7.5
200.13777	0.5
201.11322	6.7
201.14047	0.9
277.21674	0.9
295.22565	0.9
303.48636	0.5
313.23843	8.9
329.23340	7.6
331.24893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22974	0.7
59.01374	2.1
62.72522	0.7
72.47289	0.8
78.95927	0.8
97.06615	0.9
127.11277	0.9
129.09232	1.5
132.74570	0.8
152.99573	1.4
153.01938	3.4
155.10744	1.0
156.91078	0.8
157.12364	4.4
168.04332	3.3
169.26500	0.8
171.10272	9.1
199.13412	12.8
201.11316	9.7
213.14925	3.5
229.14392	6.7
269.19196	5.0
287.20227	3.7
294.09192	0.9
295.22842	1.6
301.07230	2.0
311.22275	1.9
313.18362	1.3
313.23862	10.6
331.11896	1.2
331.15594	2.5
331.19144	13.8
331.24936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2495
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
55.86347	0.5
59.01374	2.5
71.79196	0.6
87.64563	0.5
92.23068	0.6
101.08488	0.8
113.09682	1.0
127.11278	1.2
129.26669	0.6
141.12820	1.1
143.10782	3.4
152.99579	2.8
153.01913	3.3
155.10719	0.7
157.12363	3.8
168.04234	1.0
169.12355	1.1
171.10275	8.1
185.11835	14.4
199.13344	3.4
201.11372	6.4
203.74022	0.7
215.12857	7.4
216.37625	0.6
220.14793	1.0
221.15489	1.3
236.10483	3.0
277.21686	2.4
281.24985	0.7
293.17566	2.7
295.22702	3.0
301.07199	0.8
311.22397	2.8
313.23862	13.0
331.11719	2.6
331.18686	3.7
331.24936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
67.54905	1.1
113.09665	1.8
141.09166	2.6
157.08670	16.6
171.10242	5.6
171.13872	3.1
176.86761	1.5
186.48549	1.5
187.09753	15.8
211.49948	1.6
287.08240	1.9
295.22699	1.4
313.23895	8.5
315.16010	1.5
331.18832	4.8
331.24921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2493
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.10285	0.5
86.52667	0.5
91.50254	0.6
93.45797	0.6
101.94625	0.6
107.76452	0.6
111.21392	0.6
113.21842	0.6
127.11292	3.4
143.58141	0.5
153.02022	0.6
155.10718	2.2
157.12320	3.1
171.10318	1.0
187.13492	0.9
201.11282	0.8
225.55231	0.5
257.08533	0.6
287.08252	0.7
295.22717	2.6
313.23877	10.8
329.23383	5.9
331.04465	0.8
331.24945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2647
Annotation	cis-4,10,13,16-Docosatetraenoic Acid
Peak:m/z	Relative Intensity
58.82444	0.8
59.01384	1.9
78.90993	0.8
113.54910	0.8
129.56976	0.8
216.54765	0.9
240.13130	1.0
287.27344	1.3
289.88907	0.8
290.93103	0.8
294.12860	1.0
331.26486	100.0
340.37152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24194	1.8
55.02672	1.7
84.93867	11.1
93.06094	1.8
99.92582	100.0
99.93245	3.4
100.93362	69.4
115.92063	65.0
116.92852	40.7
117.93629	4.2
125.02438	13.2
126.02783	10.4
126.94912	24.8
127.95669	16.5
130.08675	3.4
142.94453	21.8
153.01920	10.7
153.52426	2.1
153.97273	15.5
154.02272	10.8
155.95210	26.2
168.04253	2.8
169.01422	47.2
169.04608	2.7
170.01782	54.1
170.05315	2.2
171.94681	8.8
171.98332	12.2
181.96805	19.5
199.94191	17.0
225.95755	44.1
267.09882	10.3
314.13611	3.9
331.94806	58.2
332.07187	8.3
332.10785	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08062	1.4
75.61874	1.6
84.93867	6.8
99.92579	100.0
99.93246	3.4
100.93359	52.0
115.92068	72.3
116.92841	40.6
126.94912	30.2
127.95699	8.1
130.08714	2.3
142.94408	26.2
145.96852	3.0
153.97272	10.3
155.95236	13.9
170.01759	4.0
170.93842	2.5
171.94725	2.8
171.98309	8.4
181.96782	13.7
199.94171	23.0
213.28905	1.7
220.97206	1.7
223.77438	1.8
225.95758	39.9
331.94836	65.9
353.43994	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.9481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41782	1.7
84.93858	8.2
91.05682	1.7
99.92577	100.0
100.93362	57.2
115.92062	75.6
116.79047	1.8
116.92852	41.5
117.93659	3.0
124.42846	1.8
126.94909	24.8
127.95715	12.2
128.03560	1.9
130.08694	2.5
142.94435	28.8
153.97290	11.5
155.95248	14.6
169.01375	8.2
170.01764	4.0
171.94727	7.9
171.98309	4.6
174.93437	2.2
178.68904	2.1
181.96790	14.4
199.07336	2.2
199.94250	20.3
202.29042	1.8
211.62273	2.1
215.93764	4.3
225.95769	56.6
288.15820	4.1
331.94781	58.3
336.88843	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40243	0.7
67.08969	0.6
73.13174	0.8
106.68825	0.7
124.01640	2.8
125.02454	29.2
126.02763	24.5
149.99579	6.7
150.99867	7.7
153.02002	0.8
167.99272	1.5
168.00639	38.4
168.02065	1.3
169.00977	38.3
170.01747	4.4
314.05838	9.6
332.07068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31383	0.9
51.51388	1.4
60.37401	1.0
185.54578	1.3
211.17038	5.7
213.28314	1.3
222.15031	5.7
223.17172	1.4
224.16637	1.7
240.16080	1.3
241.18103	100.0
257.43771	1.3
270.17160	39.7
285.17093	23.0
309.57211	1.4
332.17197	28.5
332.22131	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1872
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
54.11390	0.8
55.63038	0.8
57.03443	1.3
59.01378	0.9
59.34673	0.8
62.67699	0.8
62.77657	1.0
65.19434	0.8
80.37853	1.0
83.40429	0.9
84.04542	32.7
93.03484	1.2
94.02982	1.4
95.05024	1.1
110.06112	12.7
134.55608	1.0
147.00746	1.1
152.07124	7.9
167.10796	1.0
177.12827	2.3
180.69504	1.0
203.10805	1.7
203.14485	3.7
209.15517	4.4
229.12404	4.4
247.13387	6.0
253.14354	7.9
300.14572	2.2
314.17654	1.9
332.18729	100.0
335.73135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23135	38.6
81.12632	44.0
109.43826	40.0
125.84466	43.5
159.69289	45.8
240.80814	42.2
332.22476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21592	71.3
50.46245	67.1
75.22136	94.7
78.69917	83.0
82.69176	89.2
126.76852	76.6
148.22517	83.9
160.06285	80.0
160.60007	90.7
176.14615	79.9
196.54597	100.0
217.36668	83.0
219.93991	90.8
223.88480	73.7
231.52553	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16275	0.8
58.59451	0.8
65.97350	0.9
72.99303	83.5
90.97747	1.2
92.23087	2.0
108.04552	1.1
109.02907	1.6
123.04516	24.9
135.03488	1.4
135.04529	42.0
151.03929	1.2
153.01903	1.6
179.03510	76.8
197.04562	100.0
202.85855	1.0
240.08293	1.4
271.06146	1.4
297.47787	1.4
333.06216	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
50.37652	0.9
51.26424	0.9
52.43382	1.0
56.22182	0.9
72.99303	84.1
103.09601	1.1
109.02956	1.8
120.93935	1.1
123.04510	31.0
135.04527	37.5
153.01866	1.5
167.51491	1.1
179.03505	71.7
193.34198	1.3
197.04565	100.0
211.45181	1.1
223.02481	2.0
296.12766	1.2
333.06186	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
52.54019	0.7
68.83322	0.8
72.99305	88.3
77.29531	0.8
79.35528	0.7
84.86511	0.7
90.21746	0.8
95.99306	0.8
109.02953	4.4
123.04518	30.2
127.38403	0.8
134.63347	0.8
135.04526	44.2
151.03947	1.3
153.01938	1.8
167.94562	0.9
179.03510	82.9
197.04568	100.0
211.62617	0.8
216.67003	0.8
222.03902	0.8
225.98784	0.8
242.21994	0.9
333.06204	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.5
59.36591	0.8
72.99304	81.4
75.29125	0.9
109.02956	1.7
111.80261	1.1
121.77409	1.0
123.04523	27.9
135.04526	39.1
142.16005	1.1
153.01933	1.8
160.03763	1.0
162.07852	1.1
179.03514	72.2
197.04564	100.0
237.44611	1.1
253.76456	1.0
256.03735	1.0
271.06204	1.3
323.55609	1.0
333.06161	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.062
Annotation	Cedrin
Peak:m/z	Relative Intensity
69.59776	0.4
78.55164	0.4
80.10762	0.4
82.48525	0.4
86.11444	0.5
97.02947	5.1
100.32407	0.4
109.02943	0.5
110.00098	0.6
112.61834	0.4
121.02944	5.9
125.02416	1.0
137.02440	15.4
139.00363	1.9
140.01154	6.8
144.64528	0.4
149.06055	0.5
153.01945	8.7
153.97931	0.4
155.03514	5.1
162.03120	0.5
165.01921	100.0
185.00917	0.4
197.04562	23.0
209.00885	0.8
236.66698	0.5
294.72314	0.5
301.03534	10.0
333.06250	9.2
333.09897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
53.39222	1.1
54.16266	1.1
63.23378	1.1
72.24110	1.2
72.31287	1.1
72.99303	79.4
73.14042	1.0
84.37824	1.4
93.41884	1.2
109.02948	1.5
122.16324	1.4
123.04514	27.0
135.04521	34.3
151.68661	1.2
153.01961	2.5
179.01921	2.3
179.03505	70.7
197.04570	100.0
220.58330	1.5
333.06207	70.0
333.19156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
58.64250	1.7
60.58838	2.0
72.46699	1.9
72.99306	94.3
73.01165	2.1
93.27155	2.0
109.02927	3.0
115.71352	2.0
123.04510	31.2
133.02884	2.2
135.04514	43.0
179.03511	92.0
179.20930	2.1
197.04568	100.0
214.64725	2.6
223.40918	2.0
261.58694	2.3
333.02258	4.4
333.06219	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0622
Annotation	Diosalol
Peak:m/z	Relative Intensity
51.96120	0.9
70.86086	1.1
72.99306	74.5
73.56915	1.1
107.08637	1.9
108.08997	1.8
109.02948	57.7
117.03471	8.2
119.04991	1.3
120.99667	1.4
133.02940	2.3
137.02458	5.5
149.02423	17.3
150.87579	1.3
151.00366	1.2
151.04002	2.7
152.01144	1.2
152.99556	1.2
161.02457	1.6
179.03488	6.3
197.04547	1.8
205.01430	25.3
223.02458	12.4
241.03503	9.7
305.06729	1.5
333.06223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0881
Annotation	Daibucarboline B
Peak:m/z	Relative Intensity
51.27656	3.4
51.35450	3.0
53.98433	3.2
69.05553	4.0
71.34318	3.5
92.22733	18.0
95.04854	3.5
107.10146	4.6
109.29337	4.3
116.05042	27.6
133.02946	23.8
145.48885	4.2
147.03253	65.0
148.04083	6.1
185.32988	4.6
188.03592	4.7
305.09338	19.7
333.08899	100.0
333.12552	7.7
333.20779	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0986
Annotation	(-)-Zinaflavin F
Peak:m/z	Relative Intensity
51.58443	0.4
57.73065	0.4
58.61402	0.4
58.98684	0.4
59.01376	0.6
85.02951	11.5
85.87635	0.4
87.00860	0.8
92.55221	0.5
113.02439	1.2
147.08209	2.6
157.06627	2.4
173.06079	11.4
175.07695	0.9
203.78304	0.6
217.08714	2.9
226.47411	0.6
229.04877	0.7
241.04915	0.5
245.08202	100.0
251.35147	0.6
333.09848	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80478	2.0
62.88937	1.8
64.18449	1.9
66.35426	1.8
88.38021	2.1
104.05046	2.3
104.28094	2.4
122.06116	13.2
136.04060	3.2
138.05629	15.2
140.07224	9.8
166.05118	2.7
168.06673	4.0
172.11362	8.6
184.11295	16.5
202.12433	10.1
216.10272	9.2
217.07419	30.3
222.00349	2.5
231.09058	17.1
234.64322	2.4
241.09918	24.9
246.11374	40.6
253.09886	10.6
259.10849	9.3
271.10947	58.6
289.12067	16.9
333.10956	100.0
333.14764	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73046	0.7
87.12910	0.6
96.47730	0.7
104.31984	0.6
109.06709	0.7
121.02969	1.7
122.03736	1.3
123.04537	1.5
126.05594	0.8
131.92709	0.8
175.95998	0.6
203.18037	1.3
217.12111	1.2
219.13786	1.3
221.19167	3.8
245.15161	0.9
247.17047	25.6
249.18910	0.9
253.07465	0.7
261.18396	0.8
271.16840	3.6
287.16309	1.4
289.17889	19.9
300.13522	1.3
315.15820	100.0
333.16898	49.6
333.20367	2.1
339.65033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05886	0.8
56.23571	0.8
59.01383	100.0
62.48384	0.9
63.26791	1.0
68.70872	1.1
71.01392	3.9
73.02946	1.1
79.95726	0.9
83.01379	1.2
85.02934	1.9
101.02434	6.0
117.64609	0.9
185.74101	1.1
199.26357	1.0
203.10625	1.2
253.80095	1.2
291.18112	8.5
318.70529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30221	18.8
72.33927	18.4
76.97173	20.9
79.39470	19.8
93.43749	19.0
96.96029	22.1
106.68922	28.2
156.54985	18.1
173.48613	21.1
277.21713	30.2
282.73831	22.8
295.22656	49.1
333.20807	100.0
333.24503	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43692	0.7
57.18501	0.7
59.01382	19.3
60.46445	0.8
69.90971	0.8
84.65992	0.9
113.07773	0.9
120.28004	0.7
154.97005	0.8
164.50687	0.9
210.62286	0.9
233.19156	1.8
241.54619	0.8
250.37500	0.9
251.20177	100.0
333.20544	43.2
333.24200	2.4
344.52042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
51.67036	0.4
58.79297	0.6
59.75631	0.6
83.13230	0.6
89.78967	0.5
109.95370	0.5
127.02483	0.6
129.99278	0.6
223.13095	1.2
259.16556	0.6
265.21832	5.5
283.16782	0.8
285.18408	9.7
287.19998	6.1
305.20935	1.2
317.17407	1.1
319.18823	1.5
333.20532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
59.01387	0.9
72.32655	0.5
74.58105	0.5
79.12185	0.5
109.00963	0.4
113.91965	0.5
119.12657	0.4
119.36697	0.5
123.08162	33.6
133.04655	0.6
135.08163	26.9
136.17725	0.5
136.29323	0.4
154.39008	0.5
161.01093	0.5
185.41269	0.5
226.60619	0.5
255.17598	1.0
269.95132	0.5
271.20697	48.8
289.21762	16.7
310.42148	0.5
315.19739	3.1
316.86929	0.5
333.20764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	8-iso Prostaglandin A2
Peak:m/z	Relative Intensity
55.34390	0.6
58.89664	0.7
62.37156	0.6
73.02943	1.1
75.00874	1.7
88.90076	0.9
116.09672	0.9
119.08640	0.8
137.50258	0.7
157.71149	0.7
253.19644	0.9
257.19113	9.1
269.19073	1.3
285.18594	1.0
287.20175	4.6
315.19693	20.8
333.20761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.99311	0.8
76.49749	0.5
80.30546	0.4
82.08059	0.5
85.33390	0.5
89.31335	0.5
92.23148	0.5
105.29637	0.7
117.81234	0.5
162.47630	0.5
253.19504	0.7
254.14699	0.5
271.20706	2.5
287.20169	5.3
315.19720	11.3
318.96619	0.6
333.20758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	8-iso Prostaglandin A2
Peak:m/z	Relative Intensity
59.01389	0.8
60.04175	0.5
73.02928	0.8
75.00860	3.4
77.71011	0.5
80.02653	0.8
89.71703	0.5
97.06611	0.9
101.31857	0.6
103.80316	0.6
109.06588	1.1
119.08648	0.9
121.06566	0.6
132.41277	0.6
139.07573	0.7
139.65340	0.6
141.05620	0.7
251.16533	2.1
253.19699	0.7
257.19070	7.4
269.19122	0.8
271.20621	1.2
273.14581	0.7
287.20181	1.2
315.19669	20.5
333.20755	100.0
334.74384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
54.83422	0.4
61.42550	0.5
62.84012	0.4
65.97096	0.4
86.31113	0.5
92.22491	0.7
104.78085	0.5
116.05069	1.8
123.66210	0.5
133.02975	0.7
147.03241	3.8
148.19125	0.5
175.09790	1.2
259.20694	0.9
287.20258	0.7
289.14597	0.8
289.21729	10.2
305.09595	0.6
308.26529	0.5
333.08936	6.5
333.13641	4.0
333.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
56.50434	0.5
58.32301	0.7
59.01400	0.6
59.14661	0.5
60.26693	0.5
62.37002	0.6
73.28485	0.6
92.05679	0.6
94.42786	0.6
95.04198	0.6
110.84499	0.7
116.83600	0.6
123.08156	34.9
131.00343	0.7
135.08159	32.4
144.89798	0.7
172.06480	0.7
234.98642	0.7
271.20706	51.4
289.18597	0.9
289.21759	18.4
315.19702	4.4
333.20767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78326	0.5
59.01391	4.5
67.90076	0.5
71.01385	1.0
73.02953	6.2
113.06081	0.7
119.08647	4.9
135.08179	0.5
140.49294	0.6
145.06593	1.2
197.84753	0.7
201.12799	2.5
239.14224	0.7
241.15942	0.9
249.16479	2.1
251.14407	3.0
252.15274	0.8
255.17526	1.1
267.17551	45.4
283.17001	8.3
285.18613	6.4
313.18109	18.6
315.19675	3.4
333.20770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08627	0.4
57.38187	0.3
63.08711	0.4
78.32361	0.4
78.90710	0.4
86.14803	0.4
105.36897	0.4
129.94528	0.3
134.48820	0.4
164.10532	0.4
189.74736	0.4
215.60568	0.4
241.38736	0.5
287.20215	0.9
289.21606	0.5
333.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2076
Annotation	Phomactin A
Peak:m/z	Relative Intensity
51.54658	0.7
55.96641	0.7
57.59066	0.7
59.01366	0.7
60.35620	0.8
62.49738	0.7
63.76569	0.7
153.09198	1.4
156.44044	0.8
203.14375	1.4
263.22894	1.0
267.99496	1.0
269.19119	4.0
271.20892	1.2
287.20230	34.1
297.24341	1.2
299.20169	0.9
315.19626	7.9
333.20764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07954	54.5
68.59534	50.5
72.89996	51.2
101.57294	61.4
117.72963	60.0
190.00117	65.6
217.84734	56.4
277.43915	68.1
333.24307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25526	50.0
60.24561	47.0
61.18984	57.5
61.99523	48.5
66.31787	50.5
69.90372	50.4
98.18421	61.3
108.61915	70.6
108.75334	60.6
161.54948	62.7
220.45299	61.0
263.59714	58.3
333.24429	100.0
340.59854	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2436
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
63.84616	0.5
66.50889	0.5
66.85449	0.5
70.91643	0.5
88.34159	0.5
88.94126	0.5
119.65596	0.5
135.79030	0.7
217.16074	1.3
228.82985	0.6
245.19194	3.6
289.25449	4.3
315.23331	1.1
328.40311	0.6
333.24402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2441
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
50.75887	0.9
57.03452	2.4
64.91419	1.0
64.93723	1.1
69.03465	8.1
71.05009	10.2
80.33326	1.1
85.06593	7.8
94.85381	1.0
115.04007	1.7
160.07014	1.0
298.63879	1.2
311.04187	1.3
311.98654	1.6
333.24402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2802
Annotation	Docosatrienoic Acid
Peak:m/z	Relative Intensity
50.15513	0.5
51.71076	0.5
56.92434	0.7
71.25467	0.6
76.04309	0.6
106.60997	0.6
291.38379	0.6
299.31433	0.8
333.28030	100.0
358.70084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1663
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
60.29312	0.8
72.00894	1.5
75.80049	0.8
77.77441	0.8
80.96368	0.8
85.02956	1.1
91.05523	7.1
97.06583	5.2
123.08183	1.0
125.09711	37.9
132.07968	0.9
136.24808	0.8
142.12369	1.0
147.04517	22.5
164.07178	85.4
166.59102	0.8
186.11345	11.3
198.11519	1.1
272.16510	7.5
275.38254	0.9
290.17770	4.0
316.15729	1.3
334.16656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1663
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
59.01403	0.9
59.62080	0.7
71.54991	0.7
75.62479	0.9
97.06562	1.2
100.19263	0.8
117.82943	0.9
119.05039	1.5
120.66148	0.8
125.08823	1.8
125.09713	30.1
136.07675	3.4
141.09218	0.9
153.12885	1.4
162.05589	8.5
169.08714	1.6
170.11932	1.6
171.10240	9.5
178.08751	5.4
187.09764	4.4
196.09738	6.2
205.71942	0.9
214.10855	17.8
272.16489	1.5
288.16174	3.7
316.15585	1.5
316.19156	5.3
334.16675	100.0
334.20325	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2028
Annotation	Ankorine
Peak:m/z	Relative Intensity
58.42816	0.7
59.04620	0.6
59.82560	0.6
71.67664	1.0
73.47334	0.8
75.83929	0.7
94.00736	0.8
102.89081	0.7
122.03727	3.5
123.04473	3.2
128.89111	0.8
175.07655	0.9
198.15103	1.3
244.04288	0.8
257.15567	1.5
287.16525	1.6
289.17914	1.2
290.21255	3.1
299.16565	5.0
316.19208	95.3
317.17719	1.9
325.03650	0.8
334.20285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.239
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
52.32783	0.8
55.17161	0.8
60.26116	0.7
72.04550	4.5
74.02467	100.0
95.45211	0.8
96.19086	0.9
114.29787	1.0
123.73771	1.0
247.32985	0.9
331.59314	1.1
334.23920	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2394
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
52.08198	0.8
54.57352	0.8
57.04531	0.8
58.02976	4.5
58.73169	0.9
59.13968	0.8
74.23992	0.9
74.46178	0.8
84.04545	15.1
100.07696	13.6
102.05605	83.5
171.91351	1.2
174.84419	1.1
209.37241	1.3
223.27893	1.0
290.99127	1.2
334.23941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2392
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
54.04824	0.8
59.74770	0.9
66.98779	1.0
70.91444	1.1
81.02177	1.1
110.06087	1.0
117.83146	1.0
171.10233	6.8
183.13943	11.1
197.11826	13.5
209.15471	1.4
223.17104	13.2
237.14922	9.1
239.41745	1.0
240.75499	1.1
241.61415	1.0
271.37381	1.2
276.19748	1.8
289.21936	4.2
316.19275	1.2
316.22806	3.8
334.20279	16.4
334.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39666	0.3
58.97608	0.3
58.97910	0.3
59.01381	1.3
71.01380	0.4
75.23433	0.3
85.02938	2.9
87.00856	0.4
89.44688	0.3
93.03448	4.6
103.47911	0.3
105.01923	4.7
111.04508	2.2
127.04002	1.3
137.02455	3.3
153.21603	0.3
155.03552	2.2
166.75356	0.4
173.04550	0.5
179.36226	0.3
191.05630	100.0
263.16794	0.4
335.03931	7.9
335.09995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
65.54476	1.5
71.01373	3.1
72.40939	1.7
80.43540	1.7
87.00822	1.6
89.02486	1.7
93.03454	25.3
109.02944	1.8
111.00893	2.1
119.03474	2.2
137.02454	100.0
137.03516	3.9
173.04454	1.8
176.07169	1.9
177.07530	3.2
263.71927	1.7
275.07666	2.0
275.77609	1.8
299.07394	2.1
335.05551	11.7
335.09708	20.4
335.13501	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41520	0.4
52.35900	0.5
53.62959	0.5
56.39205	0.4
60.39490	0.4
63.57947	0.5
64.56040	0.5
65.92135	0.5
73.02944	1.2
81.03430	0.5
83.05013	0.7
93.03439	13.6
111.04513	6.0
133.02956	3.5
134.03706	1.4
135.04521	100.0
137.02441	6.9
143.08066	0.6
155.03476	2.4
161.02440	32.6
167.84607	0.5
173.04529	2.3
179.03503	92.3
293.81802	0.6
304.68036	0.6
320.60760	0.8
335.07742	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.28150	0.5
58.80827	0.6
59.01380	0.9
67.01881	0.9
71.01344	0.6
84.53368	0.7
93.03448	9.4
108.83646	0.6
111.04511	1.1
133.02950	6.3
134.03769	0.6
134.87416	0.6
135.04521	23.0
137.02415	1.0
161.02443	100.0
173.04529	2.7
179.03481	6.5
189.31319	0.6
246.42165	0.6
335.07782	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
58.74916	0.5
59.01400	0.6
66.13750	0.5
73.02937	0.9
83.05034	2.1
93.03436	9.9
99.04514	0.6
111.04527	4.3
133.02968	3.2
134.03731	2.3
135.04526	100.0
137.02461	7.6
155.03487	2.6
161.02455	25.5
161.03793	0.9
173.04494	2.7
179.03506	92.5
179.85962	0.5
335.07770	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01401	0.6
62.30315	0.7
68.12006	0.7
73.02954	1.5
83.03214	0.8
83.05024	4.5
93.03453	18.1
111.04508	7.3
133.02940	5.8
134.03717	5.3
135.04529	100.0
137.02454	8.5
151.06416	1.2
155.03513	6.2
161.02449	43.3
170.51645	0.8
173.04608	1.7
173.08134	1.1
179.03508	94.6
193.70331	0.9
195.39911	0.7
217.03502	1.2
286.52075	0.8
335.07755	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0778
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
83.05040	4.9
93.03454	37.1
101.09663	1.2
109.02941	1.3
111.04520	22.5
123.65076	1.0
133.02962	1.6
134.03737	10.5
135.04533	76.3
137.02454	15.8
155.03488	13.1
156.76357	1.1
161.02435	2.5
173.04599	4.2
178.02715	2.4
179.03514	100.0
233.38408	1.3
247.09729	2.3
279.97330	1.2
287.35788	1.3
291.09018	1.6
314.43555	1.3
335.07709	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93675	0.9
56.13339	0.9
68.74118	1.2
73.02917	1.3
77.53847	1.1
83.05010	1.1
84.42333	0.9
93.03474	13.6
109.82596	1.0
111.04478	5.0
111.08128	1.5
133.02959	2.1
134.03775	1.3
135.04526	100.0
137.02451	8.6
147.73077	1.2
153.17108	1.0
155.03455	1.4
161.02443	37.0
173.08173	5.4
179.03505	95.1
235.66750	1.1
335.07758	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48327	0.9
68.49556	1.0
76.07600	1.0
81.54025	1.0
83.05016	1.7
83.72397	1.2
87.58350	1.1
93.03445	18.0
96.82046	1.0
101.80081	1.0
111.04505	8.7
123.00889	2.1
133.02948	5.8
134.03748	2.2
135.04521	100.0
137.02486	9.2
155.00891	1.1
155.03506	4.6
161.02441	50.9
179.03503	93.0
198.61682	1.1
287.09152	1.4
335.07764	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62896	2.6
70.60045	3.3
73.45531	3.1
93.03447	13.0
121.11929	3.2
135.04523	100.0
137.02466	4.9
161.02429	24.2
179.03503	83.3
204.50658	3.4
335.07724	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81182	0.4
73.02937	0.9
73.84344	0.5
83.05037	1.0
85.02978	0.6
93.03452	12.4
102.21544	0.5
111.04533	4.6
113.35567	0.5
121.34915	0.5
133.03018	1.6
134.03812	1.8
135.04533	100.0
136.12782	0.6
137.02452	6.9
146.20625	0.5
150.03320	0.5
155.03551	2.2
161.02448	30.2
173.04604	1.2
178.66969	0.5
179.03513	87.0
205.33969	0.5
231.55817	0.6
241.68254	0.5
263.08722	0.7
335.07794	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47000	2.8
51.85338	2.6
54.22804	2.6
59.01384	3.8
63.09846	3.0
80.05052	13.7
93.68918	3.4
122.06118	22.9
124.04035	14.5
138.05592	7.2
144.08183	6.9
150.01895	4.1
154.74582	3.1
160.11351	73.9
167.04695	3.4
167.05814	27.0
168.03017	3.7
168.06726	6.8
175.06410	18.6
189.07976	13.9
203.09625	7.1
204.10301	45.7
214.07503	87.1
219.05406	15.9
229.09828	77.3
230.08275	8.0
233.06874	12.1
247.10919	20.4
248.09302	69.9
248.22389	3.4
263.14001	3.5
273.08853	87.1
291.09927	100.0
302.71225	3.7
326.07254	3.5
335.08826	77.6
340.15997	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.2
71.01369	21.9
72.99318	2.5
73.02939	2.7
75.00870	100.0
75.01300	3.5
85.02953	9.3
87.00851	2.2
89.02425	11.9
97.02939	9.7
99.00840	2.7
101.02444	21.4
104.11965	1.8
113.02461	23.3
115.04005	31.0
117.01939	2.3
119.03500	8.6
123.08287	1.5
129.71655	1.6
137.02486	7.0
150.39961	2.0
162.68285	1.9
177.35608	1.5
196.86922	1.6
219.05138	1.8
237.06186	81.8
335.09842	69.6
335.13632	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72617	0.6
54.97110	0.7
56.52840	0.7
59.01382	16.5
65.53559	0.8
66.07745	0.8
70.83167	0.7
71.01379	8.4
73.02956	1.1
73.21806	0.8
81.03466	1.0
83.00682	0.9
83.05020	7.3
85.02949	1.2
89.02436	10.8
93.03450	73.7
95.01391	0.9
101.02448	4.9
107.05019	5.1
111.04516	39.0
113.02422	2.0
113.06113	0.9
119.03484	1.1
129.04680	0.8
133.01282	0.8
135.04533	1.7
137.02446	100.0
141.13626	0.7
155.03503	42.8
173.04559	6.4
173.09322	1.8
176.21255	0.8
179.03520	3.3
185.03006	0.9
260.82245	0.9
299.07635	1.7
317.08893	7.0
335.09897	36.8
335.13953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01383	53.3
61.05499	1.1
65.04153	1.2
66.97149	1.1
71.01376	27.3
72.99313	1.6
73.02940	5.7
75.00866	6.7
83.01378	2.9
85.02935	10.7
87.00899	1.5
89.02427	26.1
93.03426	1.2
95.01392	1.7
99.00855	1.9
101.02446	25.4
111.04529	1.2
113.02453	18.0
115.04001	1.9
116.40008	1.3
119.03454	10.6
140.16882	1.2
155.07118	6.7
161.02472	1.9
207.33168	1.2
227.44878	1.5
237.06061	1.7
238.81818	1.5
243.06670	1.5
263.09238	18.3
273.07745	6.0
291.68738	1.3
292.72327	1.2
335.07214	13.9
335.13486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67594	0.5
53.93244	0.5
59.01387	11.5
73.34031	0.5
74.49957	0.4
85.40591	0.5
92.22842	2.7
144.81802	0.5
253.21753	100.0
335.22070	40.2
335.26099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19931	0.5
59.01385	11.9
78.11441	0.5
78.36571	0.5
92.23081	1.0
203.82126	0.5
223.26640	0.5
253.21756	100.0
335.22095	38.8
356.23431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
62.82042	0.1
72.99305	0.6
75.00867	100.0
75.97302	0.1
103.71735	0.1
104.60132	0.1
108.49351	0.1
162.99840	0.1
197.11745	0.2
198.12186	0.3
200.07480	0.2
220.63057	0.2
238.15236	0.2
244.74980	0.1
275.20270	0.2
277.21744	32.3
297.24384	0.2
318.52353	0.1
335.22177	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2232
Annotation	5,6-DiHETE
Peak:m/z	Relative Intensity
50.97557	0.3
64.89893	0.4
68.92915	0.3
70.98672	0.3
90.73405	0.4
135.60803	0.4
198.81583	0.3
231.53522	0.4
335.22339	100.0
349.47763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	PGB1
Peak:m/z	Relative Intensity
57.78793	0.5
67.91961	0.5
73.02930	1.4
77.49306	0.6
80.90530	0.6
95.70763	0.6
119.08638	4.0
150.39561	0.7
168.54292	0.6
235.14963	11.6
251.18040	18.6
253.16026	5.9
269.19092	3.3
279.17590	0.8
295.17065	0.9
297.18628	9.1
299.20102	1.0
315.07889	0.8
315.19684	4.2
317.21155	6.9
335.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	PGA1
Peak:m/z	Relative Intensity
51.30419	2.0
54.92044	2.1
59.01388	3.0
64.22943	2.4
71.05013	10.0
72.25064	2.3
80.01212	2.7
96.96004	10.4
104.93018	3.0
109.06602	3.1
151.11298	6.2
152.08472	5.5
155.10785	2.7
183.10277	10.1
198.13788	2.6
209.11797	6.4
241.11708	2.7
268.01517	2.7
271.77829	3.3
273.22153	10.8
309.60049	2.5
317.21237	100.0
326.39151	3.0
335.18796	14.3
335.22318	63.7
337.67480	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	Sphaeropsidin F
Peak:m/z	Relative Intensity
51.62853	1.0
51.73866	1.0
53.40031	0.9
59.01368	1.4
72.47404	1.1
73.02953	9.2
83.05037	2.2
87.00866	1.5
89.24818	1.1
119.08656	2.0
184.34735	1.1
251.18037	11.4
263.18204	2.2
269.19104	2.7
279.17664	1.5
281.19003	5.5
291.16019	1.7
297.18652	23.0
299.20224	20.7
317.17569	2.8
317.21255	75.9
335.15240	5.1
335.18784	7.0
335.22299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2232
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
56.04151	1.1
59.01384	100.0
96.96005	9.9
104.70667	1.5
173.49179	1.6
175.14421	1.5
183.13901	2.4
231.21321	1.9
238.76860	1.6
275.20203	80.8
289.69217	1.7
293.21246	8.9
298.13354	1.9
335.22638	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
53.40676	1.1
55.13060	0.9
59.01383	100.0
61.98817	1.5
63.00937	1.6
71.52156	1.0
71.70493	1.3
79.67776	1.3
84.20390	1.1
110.76835	1.2
149.25180	1.1
161.66817	1.3
199.96553	1.5
212.12642	1.5
275.20215	58.8
293.21301	18.3
335.22360	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2233
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
51.66788	0.7
59.01376	1.6
90.88715	0.9
91.95062	0.9
96.95989	4.2
109.58810	1.0
133.05208	0.9
134.03709	2.2
148.05275	1.1
150.14832	0.9
160.01672	3.7
161.02524	1.0
170.24660	1.0
175.04016	8.3
190.41267	1.0
221.35262	0.9
275.20166	16.3
279.19858	1.2
303.12759	1.2
307.07288	1.1
335.15625	16.4
335.22327	100.0
348.63593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
60.07686	0.4
61.09651	0.4
69.82381	0.4
74.97542	0.4
78.23312	0.5
78.95904	0.6
79.95708	0.6
90.73693	0.4
92.22550	0.6
96.96000	64.1
101.12061	0.6
144.09834	0.4
145.11247	0.4
203.39079	0.4
222.88425	0.6
225.72227	0.4
255.23332	5.1
335.19302	4.3
335.22638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.8
71.52133	3.5
86.20850	3.9
87.91072	3.7
92.47798	3.9
97.57174	4.1
225.39870	4.3
253.21829	7.1
291.22873	4.1
299.25937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2595
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.91589	0.4
50.96610	0.4
55.85022	0.3
57.12302	0.4
103.76151	0.5
125.19273	0.4
185.46051	0.4
308.25900	0.9
325.31384	0.5
335.25967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2959
Annotation	7,7-dimethyl-5,8-Eicosadienoic Acid
Peak:m/z	Relative Intensity
50.27573	0.9
56.90751	0.8
74.13737	0.9
76.26029	1.0
95.41872	1.0
101.16902	0.9
253.06015	1.0
335.29593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49866	1.0
70.55779	1.3
71.23985	1.1
71.93841	1.2
77.93832	1.6
92.22535	1.6
130.42000	1.3
163.56194	1.2
178.21869	1.5
194.06221	1.3
204.56750	1.4
208.07553	2.4
234.05638	2.9
236.07169	29.9
240.33174	1.5
245.10582	1.3
250.05063	2.3
250.08688	1.6
264.06696	9.6
278.04749	2.8
279.05399	1.8
280.06158	8.5
282.07745	3.3
293.03247	1.8
306.04175	7.0
307.04974	7.2
308.05759	26.3
335.04404	2.2
336.05191	100.0
336.08426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0519
Annotation	Sauvagnine
Peak:m/z	Relative Intensity
53.61046	0.5
54.18310	0.7
153.23625	0.7
175.27238	0.7
196.38847	0.8
206.06142	0.9
207.06952	3.7
208.07744	3.0
234.05643	3.6
236.07185	31.0
238.05037	1.0
242.65457	0.8
250.05002	0.9
251.05952	1.0
262.05005	0.9
264.06674	13.4
265.03864	1.2
278.04495	1.8
279.05380	0.9
280.06143	7.1
282.07755	4.6
293.03363	1.1
305.58035	1.0
306.04141	3.5
306.07693	0.9
307.04874	5.5
308.05664	29.6
308.09094	1.2
335.04480	5.3
336.05188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0882
Annotation	Subsessiline
Peak:m/z	Relative Intensity
53.98645	0.3
68.93124	0.3
146.38519	0.3
146.52850	0.3
150.50345	0.3
278.04572	6.6
292.06177	0.6
306.04114	100.0
320.05670	1.3
321.06461	11.1
336.08817	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0881
Annotation	Atheroline
Peak:m/z	Relative Intensity
86.58767	0.8
96.54281	0.8
235.91869	0.8
264.06668	20.8
265.07437	7.6
277.07501	1.5
278.04623	1.1
291.05453	1.1
292.06219	46.6
292.09518	1.7
293.06967	67.0
306.04150	4.0
306.67715	1.0
307.08514	3.5
308.09421	1.6
321.06458	88.3
336.08826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76983	0.3
55.89108	0.3
56.88342	0.3
64.71006	0.3
76.30056	0.4
97.86103	0.5
106.03201	0.4
136.73424	0.4
156.70016	0.5
203.43970	0.4
238.07489	0.5
278.04550	5.9
292.06317	0.8
292.10138	0.4
306.04123	100.0
320.05609	1.6
321.03012	0.6
321.06491	9.7
336.08813	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91908	2.5
62.83936	2.6
68.74484	2.7
81.69968	2.6
83.58524	2.4
85.48083	2.6
114.50377	2.8
118.21323	2.6
142.50105	2.7
170.22638	3.4
205.05295	6.8
209.71028	2.8
220.04062	16.7
222.05756	3.8
233.04805	100.0
234.05540	12.2
246.05571	28.3
247.06400	14.0
248.03549	65.4
248.07181	18.3
249.04337	14.5
250.05074	23.7
261.04349	13.5
262.05103	80.5
263.05878	31.4
265.03787	4.4
276.03082	17.0
276.06418	4.6
276.17679	3.7
277.03842	62.3
277.07193	5.4
278.04584	64.7
278.08203	21.2
280.06262	5.2
289.03809	6.6
290.04575	35.6
291.05472	21.0
292.06180	55.5
293.06934	17.8
297.59979	3.0
298.21286	3.0
305.03363	42.5
306.04111	87.2
306.07718	44.4
306.11163	4.3
307.08621	12.7
308.09149	13.4
320.05661	76.3
321.06400	51.2
332.97003	3.0
335.08072	56.9
336.08795	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67805	0.4
55.26672	0.5
56.84053	0.5
61.35492	0.5
65.46839	0.6
69.59006	0.5
90.86440	0.5
92.76346	0.6
98.98840	0.5
121.29868	0.5
125.23776	0.6
128.28905	0.6
148.63599	0.6
219.06960	1.3
234.05693	2.0
247.06447	2.5
248.07103	2.5
249.07986	9.3
250.05074	0.8
253.35181	0.7
262.05038	1.0
264.06772	4.1
276.06738	0.8
277.03796	0.8
278.04651	11.6
290.04675	2.5
291.05356	1.4
292.06183	28.2
293.07016	0.6
305.03336	1.0
306.04123	36.3
318.04352	0.9
320.05673	58.2
321.06396	9.3
336.08810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28632	1.4
80.32497	1.4
84.59519	1.2
103.75746	1.3
108.66006	1.3
129.93387	1.4
224.19583	1.5
250.08693	2.6
261.08026	5.9
262.08844	2.3
263.05878	3.3
275.60718	1.3
276.06586	2.3
276.10333	2.3
277.07535	14.2
278.08243	16.0
290.04639	13.3
291.05429	51.7
291.08594	3.4
304.06293	5.4
305.06937	45.8
306.07776	100.0
306.11057	3.7
320.09323	42.6
321.10129	52.9
336.12469	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69927	1.1
57.24191	1.1
80.04124	1.3
83.51601	1.3
83.64336	1.3
84.66154	1.1
105.94403	1.2
249.07999	1.7
252.72386	1.4
261.07938	2.6
263.05783	2.0
263.09402	1.7
264.10300	2.8
276.10257	1.5
277.07422	2.7
278.05249	1.7
278.08127	14.4
290.04544	12.6
291.05408	45.2
291.08618	2.5
292.06259	3.3
292.09729	2.4
294.07748	13.2
299.72162	1.6
305.06952	69.9
306.07751	100.0
320.05707	5.0
320.09262	47.1
321.06277	2.3
321.10068	51.3
336.08798	8.3
336.12439	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58256	1.3
52.35665	1.7
60.11586	1.2
61.41945	1.6
71.09171	1.3
78.54556	1.5
81.33121	1.6
83.32478	1.8
95.08730	1.4
111.33231	1.6
138.14980	1.6
237.12578	1.7
261.08029	3.3
263.05792	2.1
264.10208	2.2
276.10300	6.0
277.07663	3.0
278.08313	11.7
290.04666	16.4
291.05420	47.8
292.09778	2.6
294.07736	19.8
305.06979	89.0
306.04303	4.1
306.07776	100.0
306.10846	3.5
309.10040	3.0
320.09332	53.9
321.10107	54.3
336.12488	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69150	1.0
58.05976	1.0
65.36708	1.0
75.95477	1.1
122.98304	1.1
129.42583	1.1
145.02965	1.2
196.17915	1.1
250.08752	1.5
261.08002	5.1
263.05920	2.4
263.09314	2.1
264.10272	2.7
276.06705	1.1
276.10266	6.0
277.07538	2.5
278.08307	13.1
289.07468	1.9
290.04620	17.7
291.05426	48.4
291.08835	1.9
292.09894	2.6
293.10638	2.1
294.07800	17.3
305.06982	84.3
306.07748	100.0
309.10172	2.5
320.05597	2.1
320.09283	53.8
321.10089	42.7
336.08737	2.6
336.12476	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57896	1.3
59.01368	1.8
59.11275	1.6
62.59821	1.3
63.78162	1.2
64.90714	1.4
71.40031	1.1
103.00363	1.7
114.85327	1.3
133.01414	1.7
161.02576	1.7
166.05104	8.1
261.07993	5.5
262.04944	1.7
263.05835	2.2
263.09528	2.6
264.10358	7.6
276.10474	2.4
277.07425	6.5
278.08182	8.8
288.57379	1.5
290.04617	19.7
291.05441	51.9
294.07843	20.4
294.88660	1.8
305.06961	81.4
306.07773	100.0
306.11063	4.0
320.09348	54.8
321.10056	45.8
336.08679	3.1
336.12436	64.3
357.80322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2547
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
55.86827	0.8
56.50776	0.7
65.94497	0.8
77.43046	0.9
79.18657	0.7
93.41078	0.8
101.55890	0.8
122.40224	0.8
166.12277	1.4
171.10280	4.8
183.13918	10.5
197.11836	15.7
209.15402	1.4
236.16605	1.3
277.21759	1.5
295.22983	1.1
307.23047	1.0
321.73254	0.9
336.21851	11.8
336.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75246	0.9
50.78278	0.6
51.11386	0.7
58.02968	3.7
58.26974	0.7
59.83852	0.8
63.85296	0.8
64.52483	0.8
65.89132	0.7
69.98792	0.7
88.29052	0.9
93.30724	0.9
123.04509	1.2
153.12912	1.5
173.21307	0.8
179.14383	6.2
181.12335	3.9
197.15445	0.9
236.12894	0.9
238.14526	4.7
259.82806	0.9
318.24432	26.9
319.22803	24.4
336.25500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97161	1.7
55.49766	1.6
56.97066	1.5
57.12719	1.6
62.25709	1.8
165.12801	3.6
167.10791	3.3
210.43477	1.8
259.10965	1.9
318.24429	22.2
319.22815	27.9
336.25513	100.0
351.46292	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2548
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
55.54467	0.6
67.80725	0.6
72.04533	4.7
74.02467	100.0
87.83629	0.8
197.93019	0.7
205.95915	0.7
215.10696	0.8
217.41759	0.7
336.25482	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99852	0.8
61.70615	0.6
70.47002	0.6
74.21199	0.7
88.95763	0.8
94.76103	0.9
103.96548	0.9
104.51698	0.7
119.93640	0.9
134.96077	7.2
136.92944	0.9
136.94011	42.1
152.91772	11.7
178.95065	100.0
194.92836	48.1
212.93915	1.8
247.87083	0.9
250.93929	3.6
252.91946	1.9
274.88721	1.8
287.85089	3.2
292.95004	6.4
294.93008	12.1
336.94028	81.5
354.84689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.04134	0.7
55.46661	0.7
59.71749	0.7
62.54288	0.7
68.99812	0.8
71.01376	1.7
73.07436	0.7
75.48956	0.8
83.01387	1.2
85.02944	5.5
87.00863	1.3
99.00883	4.2
100.75623	0.7
101.02464	1.5
111.00866	1.9
113.02470	7.2
113.99573	16.1
115.00352	8.3
116.79079	0.7
127.00326	1.5
129.01906	2.7
133.70233	0.7
139.00438	0.8
157.01407	6.0
169.01402	1.2
170.49348	0.9
174.01685	24.8
174.03194	1.4
175.02496	1.9
277.05670	18.8
284.94977	0.7
337.07788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44409	0.7
57.09813	0.7
59.51540	0.6
66.78857	0.7
70.47453	0.7
70.93331	0.7
79.99651	0.7
85.02934	0.9
86.07593	0.8
93.03455	1.1
100.43940	0.8
106.24859	0.9
110.95437	0.8
111.04517	3.4
119.05017	68.7
155.03499	3.5
163.04010	100.0
173.04567	4.3
185.20789	0.9
191.05629	60.1
193.71115	0.8
226.87202	0.9
268.41333	0.9
337.09329	26.1
337.15146	1.7
355.43231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01364	0.6
68.36288	0.6
74.11800	0.6
77.30441	0.6
78.81239	0.5
93.03436	0.9
111.04533	1.2
115.64754	0.6
119.05022	58.8
155.03462	1.3
163.04016	100.0
173.04578	2.8
188.95920	0.7
191.05641	9.0
223.23837	0.7
252.44930	0.7
322.68240	0.7
337.09320	14.4
337.15170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06738	0.3
54.39531	0.4
56.17064	0.4
57.03428	0.4
58.24720	0.4
59.01377	2.7
60.04131	0.3
60.99303	0.4
67.01880	2.0
71.01378	0.9
85.02944	2.1
87.00879	6.2
88.56557	0.4
93.03446	19.6
111.04500	4.4
113.02487	0.6
119.05026	6.9
129.01979	0.9
133.11774	0.4
145.02982	0.5
155.03525	0.9
161.26738	0.5
163.04024	12.5
173.04564	5.1
191.05627	100.0
208.02879	0.5
223.39732	0.5
229.98653	0.5
337.09290	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27755	0.4
59.01383	0.9
60.99303	0.9
66.23044	0.4
67.01892	2.4
67.50532	0.4
69.03461	0.4
70.11610	0.5
71.01386	0.7
81.67181	0.4
82.34378	0.4
85.02948	2.4
87.00880	5.6
93.03454	18.6
111.04521	3.6
119.05018	6.8
145.02968	1.0
160.31024	0.5
163.03996	10.3
173.04570	4.8
191.05635	100.0
195.67448	0.5
337.09351	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.3
71.58649	1.0
73.45213	1.0
85.02958	1.6
87.00867	5.5
93.03436	16.7
108.49687	1.3
111.04542	1.3
119.05015	30.5
120.74555	1.0
124.32635	1.1
124.53159	1.0
145.02939	1.0
163.04004	40.8
163.16597	1.0
173.04523	9.4
184.52049	1.0
191.05626	100.0
207.59549	1.2
337.09283	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52850	0.2
57.03431	0.3
59.01376	1.1
60.99302	0.5
65.26995	0.2
67.01891	3.1
69.03455	0.5
71.01373	1.5
71.41734	0.2
73.02924	0.3
81.03441	1.0
82.22340	0.2
83.05031	0.5
85.02945	2.2
87.00866	5.7
89.02425	0.3
93.03447	19.2
101.02406	0.5
109.02953	0.3
111.04520	3.9
113.02464	1.0
115.03996	0.3
119.05029	6.4
127.04010	0.6
129.01927	0.6
145.02922	1.1
155.03491	0.4
161.04549	0.4
163.04013	10.8
173.04530	5.5
191.05624	100.0
287.28571	0.3
307.08170	0.3
321.09769	0.3
324.21014	0.3
337.09329	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.23392	0.2
54.61511	0.2
57.03439	0.6
59.01370	1.9
60.99318	0.3
61.09618	0.2
67.01895	2.6
69.03458	0.3
71.01372	3.0
83.05032	0.4
93.03450	18.4
109.02939	0.4
111.00874	1.2
111.04520	4.9
119.05019	13.2
137.02444	4.7
155.03502	4.3
163.04013	19.3
173.04549	100.0
191.05629	1.9
256.61383	0.3
270.74014	0.3
337.09369	12.9
339.21210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.4
67.01891	1.6
71.01379	3.8
72.08434	0.5
73.16577	0.6
80.76897	0.7
93.03442	16.6
93.04009	0.7
94.88568	0.7
111.04527	5.0
113.44794	0.7
119.05021	14.7
134.64595	0.7
137.02458	5.5
155.03496	5.3
163.04015	17.6
173.04549	100.0
191.05606	8.5
200.60022	0.7
298.43378	0.6
337.09351	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.26078	0.6
55.94049	0.7
67.01889	1.1
71.01367	2.9
93.03443	13.9
101.56393	0.7
103.90873	0.7
111.04510	4.0
119.05029	17.1
137.02452	4.5
155.03561	5.7
163.04031	19.1
173.04544	100.0
191.05582	5.8
307.13895	0.9
313.02252	0.7
337.09372	15.7
356.63028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96278	1.0
69.24469	1.2
71.12292	1.1
71.72447	1.5
72.70963	1.2
83.01384	6.5
85.02892	1.7
87.04502	1.2
104.78848	1.3
106.92804	1.1
113.02425	1.8
117.80640	1.3
129.01924	1.3
134.03770	1.9
135.04527	5.0
149.02431	7.0
163.04024	13.8
164.04776	15.8
175.00385	6.5
179.07117	5.0
188.54526	1.2
190.02724	47.9
201.60115	1.3
205.05077	56.8
207.02975	7.0
208.03781	7.4
211.00586	1.3
223.06099	17.4
263.05676	1.5
271.85455	1.2
307.04529	21.7
319.08307	4.6
322.06915	17.8
337.09323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
67.01863	1.3
71.01380	2.1
84.21374	1.3
85.02905	1.3
87.00878	6.1
93.03465	20.8
111.04522	6.5
113.02459	1.6
119.05029	42.5
137.02438	1.4
155.03502	1.8
163.04021	63.9
173.04561	36.8
173.05879	1.4
191.05637	100.0
205.31084	1.3
217.29062	1.4
330.43716	1.5
337.09344	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
62.43986	0.5
67.01878	2.7
71.01372	1.2
83.05016	0.8
91.98483	0.5
93.03452	18.5
111.00848	0.8
111.04511	4.6
119.05024	14.3
137.02490	4.6
145.90993	0.6
155.03543	4.8
163.04016	17.3
171.92616	0.7
173.04549	100.0
180.21248	0.7
191.05653	4.6
295.64658	0.8
322.53906	0.6
337.09329	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08425	0.5
59.01375	0.8
62.83841	0.6
67.01894	1.7
71.01377	1.7
82.24361	0.7
93.03459	16.9
111.04513	4.7
118.62830	0.7
119.05024	15.7
123.13600	0.6
137.02425	4.6
155.03476	3.2
163.04027	21.8
169.09184	0.8
173.04555	100.0
191.05606	1.7
227.19316	0.7
337.09375	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99056	0.9
67.01882	2.4
71.01395	3.8
85.02941	1.6
87.00867	2.4
93.03450	28.5
111.00906	1.2
111.04475	8.8
119.05016	68.6
126.36993	1.1
137.02438	5.8
145.51697	1.2
155.03566	8.1
163.04010	97.1
173.04546	99.9
191.05626	100.0
250.97261	1.1
337.09320	44.4
353.30859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1084
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
58.57072	1.2
59.01375	1.8
59.64701	1.0
70.86680	1.1
81.64362	1.2
83.39950	1.2
99.98605	1.2
107.10771	1.2
135.20139	1.4
173.04568	2.9
177.05714	2.0
235.07654	5.5
251.07224	5.8
263.07114	2.2
266.09583	6.4
274.37991	1.4
279.06653	51.6
290.05795	1.3
291.06668	34.5
292.07349	9.2
294.09210	12.5
305.08371	2.5
306.08899	16.8
307.06171	100.0
307.09338	4.8
321.07697	2.7
322.08511	28.7
337.10950	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	1.4
59.99282	0.9
62.21954	0.9
84.65059	1.0
96.04722	1.2
103.17831	1.1
126.25334	1.0
143.65791	1.1
235.07672	1.9
251.07135	6.2
262.06281	1.4
266.09537	6.9
279.06668	47.6
291.06631	35.8
292.07413	7.4
293.08282	1.8
294.09012	9.6
305.08176	2.2
306.08954	14.2
307.06183	100.0
321.07700	1.9
322.08530	27.3
337.10870	73.1
337.16858	2.2
337.22943	2.2
340.74857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01392	13.7
85.02932	2.4
89.02438	20.7
96.96992	1.1
99.00861	2.3
101.02434	6.4
105.93497	1.2
108.04572	1.7
111.02001	5.1
113.02419	8.5
113.99585	6.7
115.00380	2.7
119.03492	6.1
152.03539	6.6
157.01404	1.6
174.01691	9.9
179.05617	13.7
181.24486	1.1
222.04099	7.6
234.04152	8.3
252.05144	4.6
270.54153	1.1
272.19791	1.2
277.05649	6.4
277.09000	1.1
291.21014	1.2
337.04367	1.3
337.07507	35.6
337.10876	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77758	0.6
51.09550	0.6
59.01383	100.0
63.19210	0.8
65.72785	0.6
71.01375	10.3
75.81883	0.7
85.02977	2.6
87.00903	0.8
89.02448	9.3
97.02966	1.2
101.02435	8.1
113.02426	5.0
119.03491	3.4
119.05021	7.8
133.05064	6.9
157.08672	1.0
163.04013	11.7
165.91371	0.7
173.04437	1.5
175.09775	3.3
187.06123	1.8
191.05582	1.2
198.28938	0.9
226.21246	0.8
277.09280	3.7
279.08868	0.8
337.11392	32.7
337.15137	23.8
354.14706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21236	1.2
51.95615	1.1
59.01384	100.0
69.81870	1.1
71.01391	11.3
75.69537	1.1
79.17046	1.1
85.02988	1.6
86.59144	1.1
89.02447	16.5
101.02416	2.9
111.01994	18.3
113.02483	2.2
119.03496	6.3
119.04994	8.5
124.12807	1.2
134.06157	2.1
163.04019	16.4
177.06703	2.0
179.05664	12.5
191.05569	9.2
221.05785	2.0
259.85080	1.5
337.11130	2.6
337.15244	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72407	1.3
59.01384	100.0
61.13205	1.6
71.01380	29.1
80.83752	1.5
83.86217	1.5
85.02944	6.4
85.43669	1.4
87.00871	2.4
89.02439	56.4
92.22510	1.8
101.02442	16.3
113.02457	16.6
119.03470	17.1
143.03470	2.3
148.66681	1.8
161.04559	3.8
179.05627	28.1
337.11340	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.94361	0.9
71.01384	10.6
72.18159	1.3
73.02926	1.4
89.02448	15.8
91.07915	1.1
101.02428	4.6
107.53144	1.2
113.02451	2.7
119.03520	4.1
145.72803	1.1
149.78015	1.3
179.05638	2.7
219.55515	1.2
233.10495	1.7
277.09229	5.5
337.11707	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73611	0.7
58.03012	0.8
59.01385	100.0
60.41893	0.6
70.02988	1.0
70.34019	0.7
71.01386	11.3
83.20529	0.8
87.00880	1.4
89.02442	18.3
95.01360	1.0
96.00882	0.8
101.02458	6.2
113.02454	5.4
119.03499	3.3
119.05037	10.0
143.03545	1.2
149.02409	0.8
149.04680	0.9
156.09579	0.7
161.04514	1.7
163.04021	17.5
164.04819	6.4
173.04468	0.9
179.05635	10.7
179.07201	4.1
191.05687	7.9
202.09436	0.8
222.07762	1.6
234.07718	1.5
293.11578	1.4
319.09354	1.1
337.10269	12.2
337.14835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.3
59.01377	7.6
73.60115	3.1
81.07092	3.0
81.31241	3.5
83.04978	4.6
90.78914	3.3
96.95966	4.0
98.00040	3.9
98.97973	3.4
99.00874	46.0
107.05024	3.7
109.06611	4.2
111.00895	7.0
113.06042	3.4
113.61236	3.1
114.89035	3.6
123.08155	6.9
125.06085	17.7
127.53606	3.6
137.09717	7.4
149.09767	6.4
167.07120	57.4
169.04999	43.1
171.06635	36.3
180.07899	15.7
187.14891	25.3
191.60341	4.1
205.15962	100.0
229.54332	3.0
231.13934	5.0
249.15009	16.4
257.68002	3.1
293.14038	32.3
319.15604	3.7
332.94760	3.7
337.12866	56.2
337.16669	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27939	0.6
59.01384	100.0
63.85154	0.8
71.01383	8.4
73.02956	1.5
85.02970	1.7
89.02422	6.7
93.03452	0.9
98.15488	0.8
101.02437	7.2
113.02447	5.0
115.07665	2.0
119.03495	1.3
119.05010	3.4
127.05153	1.4
129.09229	1.4
144.92052	0.8
157.08716	1.2
161.04568	5.3
163.04010	4.0
170.32907	0.8
173.04581	1.8
175.09784	8.8
177.03436	0.8
183.71313	0.9
211.72534	1.2
265.11957	1.0
277.12915	12.8
292.10495	0.9
298.71500	1.0
337.15015	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	75.0
71.01380	14.7
73.02939	3.4
75.73153	0.9
85.02949	3.8
89.02434	20.6
95.01379	1.3
100.42721	0.8
101.02441	16.0
113.02448	8.5
116.16938	0.7
119.03520	7.3
119.04983	0.9
129.09232	1.5
157.08698	5.2
163.04010	4.3
173.04605	1.5
175.09758	8.6
179.05598	1.1
192.93610	0.8
277.13110	1.2
280.95932	0.8
287.42087	0.8
337.08337	3.4
337.15091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12974	1.5
59.01381	59.8
71.01375	22.8
71.76567	1.3
72.36776	1.4
73.92226	1.7
81.64243	1.6
85.02942	7.7
87.00861	1.9
89.02428	37.8
95.01340	2.1
99.07555	1.4
101.02431	16.1
104.85851	1.7
113.02420	11.5
119.03489	13.7
144.71712	1.5
154.04657	1.6
164.07661	1.7
206.55054	1.8
282.80612	1.9
337.08472	7.2
337.15128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	64.7
63.59044	0.9
68.84329	1.0
71.01375	31.4
71.01735	1.9
80.46243	1.1
83.01373	1.6
85.02943	8.9
89.02436	36.2
91.80598	1.0
93.03424	4.9
93.03951	1.0
101.02434	23.5
111.04531	1.2
112.23439	1.0
113.02441	13.1
113.09682	1.5
119.03490	14.1
119.04999	15.8
129.02003	1.2
137.02382	1.3
139.07687	1.1
157.08714	7.2
159.94196	1.0
163.04008	26.9
173.04565	12.4
178.55713	1.2
191.05620	12.3
239.19774	1.1
250.06271	1.1
294.04291	1.6
297.35120	1.2
337.05859	2.1
337.08957	4.6
337.15070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.45971	0.6
71.01380	1.2
81.63031	0.6
85.02151	0.6
87.68513	0.7
101.02439	2.6
101.75010	0.6
133.05554	0.7
156.21227	0.6
277.16617	10.3
337.18707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24487	1.5
54.30697	1.1
59.01387	2.8
60.44601	1.4
71.05005	3.1
73.41415	1.5
75.76747	1.3
96.95970	3.1
117.36458	1.4
121.10219	6.1
171.10240	13.7
185.11630	1.5
189.94733	1.7
223.17073	11.3
231.21188	1.9
235.17044	33.0
257.18967	1.8
275.20203	75.3
288.24426	1.5
291.28625	1.6
293.21255	100.0
337.20236	15.4
337.23846	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2025
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
54.98920	0.9
58.35027	1.0
58.79710	1.0
59.01388	1.3
72.14742	1.2
83.46168	0.9
83.69762	1.1
93.03448	1.1
119.41183	1.0
120.66135	1.1
121.10203	7.1
171.10274	17.9
171.50290	1.0
173.04637	1.8
183.13927	17.0
191.05736	1.6
194.23955	1.1
195.13884	4.7
197.11835	1.2
211.13420	1.9
223.13342	4.8
240.60600	1.1
244.73810	1.2
253.50206	1.5
275.20224	29.3
291.19818	1.9
293.21274	100.0
337.19916	2.3
337.23886	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58129	1.0
57.10603	1.1
57.81603	1.1
59.01384	8.1
59.79973	1.1
64.15122	1.2
71.05035	1.2
76.71022	1.3
96.96003	8.8
99.31583	1.2
137.09688	2.3
149.38501	1.3
152.99538	1.4
183.13882	7.1
199.13440	2.2
209.15553	1.4
213.15021	1.7
218.08751	1.4
223.17064	6.0
231.21030	1.4
235.17061	37.5
237.18726	3.1
275.20206	50.2
293.21265	100.0
337.18726	20.1
337.23367	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64758	0.3
51.51598	0.3
52.62812	0.3
59.01388	0.5
59.94136	0.3
61.13141	0.3
64.97031	0.4
74.45797	0.3
79.20710	0.3
79.95741	1.6
82.20703	0.3
96.96005	40.3
105.34595	0.4
119.03905	0.3
121.36256	0.4
122.97570	2.4
150.41045	0.4
183.49318	0.4
235.50745	0.4
334.65863	0.4
337.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
64.49685	0.3
65.10087	0.3
75.00889	0.3
78.95905	0.3
79.95743	1.7
91.31926	0.3
96.96000	37.9
100.98595	0.3
113.40155	0.4
122.97577	2.1
127.87595	0.3
213.62257	0.3
293.24966	0.5
306.06558	0.4
322.91293	0.3
337.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07404	0.3
79.95735	2.0
85.12682	0.4
95.95240	0.4
96.95998	35.7
97.08369	0.4
121.42392	0.4
122.97570	1.6
149.65338	0.4
284.45306	0.5
321.02194	0.4
337.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07404	0.3
79.95735	2.0
85.12682	0.4
95.95240	0.4
96.95998	35.7
97.08369	0.4
121.42392	0.4
122.97570	1.6
149.65338	0.4
284.45306	0.5
321.02194	0.4
337.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2389
Annotation	3beta,8alpha-Dihydroxy-13E-labden-15-oic acid
Peak:m/z	Relative Intensity
54.47764	0.6
55.08805	0.6
57.03448	0.8
59.01382	2.8
62.79958	0.7
78.95907	3.1
97.87045	0.7
112.47236	0.7
113.09760	1.4
139.66479	0.6
151.11267	1.5
152.99568	1.0
153.12851	0.8
165.12883	0.9
166.38486	0.7
170.69188	0.7
179.14400	1.1
193.16022	1.4
223.13374	1.0
231.17509	1.1
239.16544	1.7
275.23795	6.3
277.21790	3.9
293.21246	0.7
295.22772	2.6
301.21811	1.5
319.22812	100.0
337.20313	2.7
337.23886	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2388
Annotation	Methyl-2-epinuapapuinoate
Peak:m/z	Relative Intensity
52.43677	0.4
64.39388	0.5
67.46577	0.5
75.00867	100.0
79.89469	0.5
95.71542	0.5
119.42007	0.6
152.06595	0.5
247.79538	0.6
279.23306	45.7
289.84668	0.5
291.49344	0.6
303.74786	0.6
337.23883	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2388
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
54.30095	1.6
57.03444	2.2
59.01377	10.0
75.80054	1.4
78.95901	3.2
80.86398	1.6
82.00867	1.5
97.06660	1.5
99.08158	17.2
113.09695	2.3
121.10238	1.5
122.47955	1.7
125.09756	2.2
129.09207	11.5
135.11806	1.8
140.39406	1.5
152.99512	1.5
154.15182	1.6
155.10728	1.7
163.14911	1.9
172.02901	1.9
185.11766	2.1
192.15921	2.1
207.13953	16.4
213.15038	15.0
237.15021	13.0
275.23700	2.9
293.21295	19.3
319.22760	49.6
337.20236	9.4
337.23883	100.0
344.76144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	(plusmn)5,6-DHET
Peak:m/z	Relative Intensity
58.00576	1.2
59.01384	14.3
71.01369	15.4
71.05009	6.6
73.02949	13.1
75.00854	2.5
75.55480	1.1
78.91788	1.0
83.05025	1.5
87.04527	1.1
88.10335	1.0
96.95994	1.6
97.02924	5.1
99.04499	2.7
101.06093	9.5
103.12958	1.0
115.03965	1.7
145.05066	17.2
152.99614	1.8
183.10214	4.4
279.23169	2.6
289.12466	1.4
319.22623	11.7
337.23825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	Betaenone E
Peak:m/z	Relative Intensity
59.01381	100.0
67.30214	1.2
88.06871	1.3
195.13998	4.4
255.23282	2.5
277.21744	70.3
295.22769	38.9
296.56946	1.7
313.84390	1.6
337.23883	24.2
345.70792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.59177	0.8
51.35769	0.9
56.01519	0.8
59.01366	1.4
71.02113	1.1
72.17099	0.9
72.99302	35.1
74.68281	1.1
75.00867	21.6
76.24467	0.9
117.22835	1.1
133.57643	1.1
241.01125	1.4
337.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.3116
Annotation	13(Z)-Docosenoic Acid
Peak:m/z	Relative Intensity
52.77064	0.7
55.47269	0.7
60.86490	0.7
62.12968	0.7
93.51035	0.7
97.36118	0.8
100.56152	1.0
112.22635	0.8
117.00182	0.9
134.54460	0.9
231.71877	0.8
244.87314	0.8
248.56198	0.9
270.25568	0.8
337.31171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23669	1.2
60.85374	1.1
65.03967	3.1
67.01893	1.4
72.98162	1.0
74.92389	1.2
79.06831	1.3
81.03458	5.2
87.40208	1.3
93.03442	9.4
96.95942	1.8
102.94624	1.1
106.63310	1.2
108.02173	16.7
109.02946	35.3
121.02949	1.6
124.80483	1.2
126.85268	1.3
135.00928	2.4
136.01665	12.9
137.02451	52.5
144.04578	5.2
151.00375	1.5
165.01939	57.7
166.39790	1.3
174.05646	2.6
185.01625	1.2
234.05719	2.3
262.05115	8.6
280.06265	1.6
281.69916	1.2
281.73355	1.3
288.22095	1.3
290.04630	5.0
291.05350	1.4
308.05807	19.3
336.05249	2.6
338.06772	100.0
338.10306	3.8
338.17163	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29528	0.5
70.62746	0.6
81.11964	0.6
82.02984	0.6
140.03494	0.8
220.76721	0.7
223.06386	22.7
251.05844	4.1
278.04642	3.7
293.07062	1.3
294.04117	17.8
295.04852	23.5
306.03876	1.5
308.05679	3.0
308.09137	1.1
309.06400	9.3
310.07260	19.3
314.91238	0.7
322.03564	4.0
323.04385	15.1
338.06720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90202	0.5
69.46341	0.6
69.90761	0.6
73.01436	0.6
87.03920	0.6
87.16740	0.5
97.27090	0.6
99.00814	0.9
109.02888	0.8
109.43569	0.7
114.29719	0.6
126.39607	0.6
163.30717	0.8
210.05600	0.6
223.06386	18.9
239.05635	0.7
251.05873	3.6
267.05295	1.1
278.04568	2.9
278.13995	5.7
280.02551	4.4
280.06131	1.4
292.06497	0.8
293.07034	0.8
294.04160	21.5
294.07425	1.5
295.04846	23.7
306.03998	1.1
308.02069	13.7
308.05698	20.6
309.06448	8.0
310.07242	17.8
322.03644	6.5
323.04477	17.9
323.08020	2.5
338.06754	100.0
338.10336	7.0
338.15903	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77123	0.4
55.57694	0.5
58.96197	0.5
82.20310	0.6
92.22493	0.8
98.86603	0.6
99.00875	0.6
124.30376	0.6
126.95816	0.7
135.16667	0.5
139.47086	0.5
145.59183	0.6
207.05336	1.3
267.05301	2.7
278.13983	5.8
280.02539	33.4
294.04111	26.1
294.07413	1.1
295.04977	0.8
308.02069	100.0
308.05466	4.9
322.03604	12.8
323.04401	23.2
323.08185	0.8
338.06744	85.6
346.27963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50645	0.2
58.60952	0.2
58.95868	0.2
59.01377	0.4
63.37901	0.2
104.36417	0.3
107.73111	0.3
162.39119	0.3
175.02721	0.3
176.03531	100.0
279.05310	0.5
337.75046	0.4
338.08868	19.3
338.15302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80309	0.8
58.70905	0.9
59.69061	1.0
60.83296	0.9
65.45853	1.3
76.26122	1.2
77.22723	0.9
78.75457	0.9
84.54031	1.0
93.03455	1.3
94.03780	1.5
101.76211	1.0
111.04527	1.2
117.88616	1.0
119.05016	54.2
120.05356	44.4
128.49127	1.0
140.43686	1.3
155.03517	2.2
156.03925	1.1
163.04015	77.8
164.04347	100.0
170.66090	1.1
173.04553	6.8
174.04846	6.1
181.79419	1.0
191.05627	8.2
192.05986	10.1
215.38333	1.1
254.69864	1.1
280.21042	1.2
338.09677	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68832	0.7
57.55280	0.7
59.01359	0.9
59.82829	0.6
60.34676	0.6
63.01880	0.7
70.20552	0.7
77.18572	0.9
85.02947	3.0
86.30487	0.8
93.03453	2.0
94.03799	1.8
101.15527	0.7
101.17095	0.8
104.07127	0.8
111.04490	1.0
112.04859	1.4
119.05023	59.0
120.05354	58.5
136.04927	0.8
137.02434	1.2
138.81020	1.0
139.58936	0.8
155.03479	1.4
156.03812	1.6
163.04010	73.8
164.04355	100.0
173.04572	9.2
174.04938	7.5
182.21521	0.9
191.05630	47.4
192.05971	42.0
196.07730	1.2
258.07602	1.8
276.62173	0.9
306.33398	0.9
325.92178	0.8
338.09671	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75930	0.2
55.27635	0.2
55.51606	0.2
56.92324	0.3
71.34880	0.2
72.45164	0.3
75.80685	0.2
78.13743	0.3
92.87541	0.3
94.88548	0.3
111.55090	0.3
118.60279	0.3
211.09090	0.3
265.03882	0.3
265.85556	0.3
280.06116	6.2
294.07800	1.7
307.04791	0.3
308.05676	100.0
322.07343	1.9
323.08041	12.3
338.10373	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55325	1.2
77.45345	1.1
87.95876	1.3
123.78745	1.1
153.98894	1.3
204.53195	1.2
249.08060	2.0
262.05222	6.4
276.06772	9.5
277.07486	34.0
290.08237	2.3
293.07053	1.2
304.06104	7.1
305.06982	65.9
308.05753	1.8
308.09235	1.9
318.07550	2.1
320.09323	100.0
338.10236	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94717	0.5
74.33236	0.6
78.03060	0.5
78.74937	0.5
79.08086	0.5
79.47118	0.5
92.52501	0.6
147.58557	0.6
151.00479	0.7
235.06236	0.6
248.07185	3.1
249.07971	5.1
262.05106	4.0
265.05048	2.6
272.93820	0.7
275.05890	1.2
276.06647	10.8
277.07446	35.6
280.07397	1.3
290.04742	0.8
290.08215	4.5
292.09793	0.9
293.07016	7.7
296.40909	0.6
304.06183	8.7
305.06985	76.4
308.05942	1.4
308.09250	13.2
318.07742	1.1
319.08490	1.2
320.09323	100.0
323.08014	1.3
323.11639	11.8
338.10339	10.6
338.14105	5.2
361.89407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84959	0.3
59.01387	0.5
95.04443	0.5
116.10204	0.4
145.51485	0.4
173.04597	0.5
280.06256	5.0
294.07886	1.7
308.05692	100.0
322.07306	0.8
323.07986	12.3
329.44363	0.5
338.10385	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87176	1.1
54.31063	1.1
69.94391	1.4
75.59747	1.4
84.07055	1.4
91.63655	1.5
123.96915	1.3
142.58881	1.6
151.47783	1.3
167.88731	1.4
169.15802	1.5
173.02284	1.3
265.03879	2.4
280.06158	7.2
293.03339	49.7
293.06363	1.8
304.66919	1.6
308.05670	100.0
323.08026	37.4
338.10355	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
60.12292	0.7
64.76948	1.0
83.02594	0.8
89.02446	1.6
141.63872	0.8
158.01025	0.9
158.06119	1.1
163.99507	1.0
230.05855	0.9
239.75635	0.9
249.07927	2.1
262.05072	2.0
275.05759	1.2
276.06726	9.0
277.07468	37.3
290.08240	5.8
293.06897	1.5
304.06180	7.4
305.06958	67.8
308.05804	1.5
308.09094	3.5
318.07681	1.5
319.08582	1.0
320.09311	100.0
338.10349	11.4
338.13928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58871	0.5
52.69688	0.5
56.90349	0.4
64.33166	0.5
77.53632	0.5
99.00848	1.0
112.23762	0.5
126.83228	0.6
176.64204	0.7
207.05421	1.1
208.30518	0.6
223.06299	0.7
265.03381	0.7
278.13953	4.4
280.02960	1.0
280.06140	5.5
294.04108	2.3
294.07785	2.1
308.02359	4.8
308.05670	100.0
322.03726	1.0
322.07217	2.2
323.04303	2.1
323.07928	13.2
338.06717	9.2
338.10385	43.4
338.16040	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10937	0.7
55.26607	0.7
59.69606	0.7
67.47852	0.7
104.92045	0.8
123.04475	1.2
128.95833	0.8
142.02946	1.2
142.17696	1.0
144.04555	3.7
145.55968	0.8
162.16086	0.9
172.04048	0.9
178.35760	0.8
235.06389	1.2
250.04984	1.9
252.06628	4.8
262.05118	1.5
263.05765	0.9
264.06686	7.8
278.04657	10.0
278.07306	1.2
279.05487	10.9
280.03418	1.2
280.06177	18.0
291.05353	1.1
292.06027	1.5
294.07712	4.9
306.03918	1.3
307.04852	10.8
308.05695	100.0
322.07196	14.7
323.07996	37.6
323.11630	1.9
337.09525	3.8
338.10370	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.104
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35328	0.5
68.64871	0.5
82.24531	0.5
87.09272	0.5
88.12902	0.6
90.06056	0.5
92.23035	0.7
99.69493	0.6
106.24229	0.5
111.80579	0.5
174.92255	0.5
187.86649	0.6
231.12729	0.5
236.07118	0.7
250.08769	13.3
253.64986	0.5
278.08328	0.9
280.06161	11.6
294.07755	12.5
295.08533	32.3
305.07062	2.3
306.07660	0.6
308.05670	6.6
309.10049	0.6
310.10947	2.8
322.07214	9.1
323.07813	1.0
338.10391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64860	0.5
54.81334	0.5
58.02972	0.9
59.01383	6.9
60.01713	0.8
65.99135	0.5
85.34967	0.6
90.06663	0.7
123.37742	0.7
123.38686	0.7
128.10799	14.4
130.08734	100.0
172.09808	3.2
195.29312	0.6
279.05594	0.7
297.91019	0.6
308.05710	2.8
338.06778	0.8
338.19785	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2339
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
70.27481	1.7
76.71410	1.7
77.96834	1.9
102.98210	1.7
105.33957	1.7
109.58170	1.8
110.21133	1.9
114.58302	1.8
125.19325	2.2
140.19403	1.8
165.66908	1.7
169.12379	2.4
171.10222	3.2
175.59612	1.8
188.83455	2.1
288.74106	1.9
294.24368	3.6
295.22784	14.3
320.22369	21.4
320.25784	3.3
333.79019	2.1
338.23392	100.0
338.27039	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2341
Annotation	Tumonoic Acid A
Peak:m/z	Relative Intensity
53.82497	0.7
76.90687	0.7
92.22504	1.2
92.81635	0.7
96.96029	1.6
99.92596	1.9
114.11632	0.8
123.35826	0.9
150.32478	0.7
152.99590	1.2
154.08752	1.5
179.61064	0.7
183.13939	6.6
195.13931	1.2
200.12979	1.7
209.15526	0.9
223.13460	1.1
223.17096	3.1
224.16560	1.3
225.14989	1.1
228.12476	4.2
229.25623	0.8
235.17082	4.2
240.16086	3.1
246.63774	0.8
252.19772	1.8
268.15521	1.7
270.37238	0.8
275.20206	5.0
292.22937	3.1
293.21130	7.1
308.06033	1.4
308.62952	0.8
310.23935	1.7
320.22360	1.0
338.23474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
73.36483	0.9
75.52463	0.8
95.05026	1.4
112.07664	13.8
121.46245	0.9
126.31754	0.8
129.10347	8.9
130.08714	14.1
138.98340	0.9
148.48895	0.8
207.15036	6.2
224.17686	15.6
225.16068	14.4
237.61211	0.9
242.18951	1.1
242.72868	0.9
252.06548	1.1
269.92566	0.9
277.07587	3.3
305.07068	4.0
320.09262	6.9
320.23425	15.0
323.07669	1.3
330.69632	1.0
338.10129	4.0
338.24518	100.0
340.55698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2703
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
52.83533	0.7
62.84365	0.6
72.66737	0.7
83.65624	0.7
106.61332	0.8
116.93765	0.7
125.09725	0.9
131.13965	0.9
160.04980	0.9
169.12334	3.3
171.10251	4.1
171.49684	0.7
294.24350	1.0
295.22815	5.0
309.24341	3.8
320.22287	10.3
320.26056	5.3
338.23346	43.6
338.27060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2705
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.24171	0.6
58.02971	1.2
77.27226	0.6
81.03787	0.5
84.04538	8.1
95.65015	0.9
100.07676	4.8
102.05605	75.2
203.26738	0.7
235.20868	0.9
252.23343	6.9
258.71960	0.8
275.66763	0.7
292.26636	4.8
294.28064	17.1
320.25989	5.7
338.27054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25513	0.9
73.99300	1.0
74.59660	0.9
77.52045	1.0
87.59100	1.0
90.19351	1.0
96.95992	2.4
97.26101	1.0
97.62823	1.1
109.06565	1.2
123.04482	1.3
139.07571	1.4
144.59047	1.2
167.01773	1.0
182.13078	1.1
185.11925	1.9
201.11266	1.6
225.01860	2.0
238.34888	1.0
246.54793	1.2
253.01344	5.5
281.00906	80.0
291.94247	1.2
295.02338	1.6
296.03287	50.6
303.16013	4.5
309.00110	25.8
309.08035	7.9
321.17078	5.0
324.02759	54.3
324.06534	2.3
324.09741	1.9
339.05051	100.0
339.11652	3.5
339.18246	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0512
Annotation	5-Methoxy-6,7:3',4'-bis(methylenedioxy)isoflavone
Peak:m/z	Relative Intensity
50.76654	0.9
59.90270	0.9
63.85659	0.8
67.37376	1.1
80.38673	0.8
81.88116	1.0
92.23124	1.9
92.49467	1.1
108.24454	1.0
125.09718	1.2
125.33392	0.9
209.07957	1.1
209.46660	1.0
238.07324	1.1
260.24533	0.9
281.00916	27.9
306.01920	1.1
309.00455	83.8
323.01971	3.7
324.02786	100.0
339.05142	93.2
339.08258	1.8
339.18265	1.7
339.22839	1.4
340.74835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94580	0.6
70.07660	0.7
87.92740	0.8
105.01200	0.7
163.11148	0.7
196.10297	0.7
203.76485	0.8
216.46042	0.7
281.00967	23.6
306.01700	1.0
308.05637	1.5
309.00458	81.6
309.05807	14.5
323.02054	1.5
324.02777	100.0
339.05136	86.0
339.10513	3.7
339.14316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0513
Annotation	LMPK12113393
Peak:m/z	Relative Intensity
56.91643	0.7
60.99793	0.7
62.65286	0.8
67.17205	0.7
69.88051	0.8
71.24585	0.8
97.47578	0.9
106.20400	0.8
181.95244	0.8
185.55437	0.8
225.01906	2.0
253.01497	5.5
281.00955	69.2
281.08032	1.7
295.02618	3.9
295.99939	1.8
296.03296	56.0
309.00455	27.0
309.04187	1.2
309.07690	14.5
315.93008	0.8
323.01718	1.7
324.02789	63.4
324.10196	3.8
339.05142	100.0
339.12311	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0513
Annotation	Versicolorin B
Peak:m/z	Relative Intensity
56.15581	0.4
59.46281	0.4
67.28503	0.4
123.17837	0.5
186.84520	0.5
226.44817	0.5
229.01495	0.6
251.20361	0.5
253.05095	1.9
267.06711	1.0
268.03745	0.9
269.04691	1.0
295.02536	2.8
295.06036	4.2
296.03241	9.8
297.04056	22.1
302.54129	0.6
306.01514	0.8
311.05661	1.9
321.04138	6.4
324.02777	1.9
339.05130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
58.05716	0.2
59.01384	1.4
63.02290	0.3
69.29739	0.2
71.01385	0.3
75.00871	0.3
96.96907	0.3
99.00894	0.3
99.04519	0.3
104.56275	0.3
105.03431	0.6
113.02408	0.5
114.05697	0.3
114.08780	0.3
120.88393	0.3
120.92119	0.3
126.49010	0.3
133.02966	2.3
134.41061	0.3
136.68800	0.3
174.71500	0.3
176.01147	2.1
177.01939	100.0
279.10971	0.6
298.20816	0.3
323.04153	0.3
324.04834	0.3
339.07236	25.1
346.07935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
57.80650	0.8
59.01384	1.3
71.01379	29.9
72.70052	0.7
73.02961	0.7
74.00452	0.6
88.40934	0.7
108.61178	0.8
115.00359	8.5
121.02951	1.6
128.37653	0.7
130.73511	0.7
135.04553	1.1
147.04497	8.2
149.02443	49.1
150.75632	0.9
164.04797	83.6
179.07196	3.6
193.01454	1.4
208.03781	9.1
223.06126	100.0
283.09430	0.8
339.10800	1.0
339.18298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
57.93962	0.5
61.68316	0.4
66.84766	0.5
71.06899	0.6
82.21133	0.5
92.23111	0.7
145.02951	2.7
235.07555	0.9
237.09149	1.2
253.08722	4.2
263.07193	4.4
264.07904	0.8
265.08749	0.7
268.11005	2.8
281.08228	20.3
291.06693	3.5
292.07437	3.0
293.08224	10.2
294.09088	1.4
296.10577	3.8
307.09686	2.3
308.10565	3.2
309.07715	100.0
323.09348	5.9
324.06174	1.2
324.10059	33.8
339.12402	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.124
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
51.70559	0.6
54.09556	0.7
54.39917	0.6
60.47868	0.7
79.57950	0.7
120.99652	6.4
123.04560	0.9
145.02895	1.2
187.23592	1.0
251.11118	4.0
253.08585	3.1
263.07175	3.6
266.92880	0.8
268.11102	1.8
281.08246	18.3
291.06628	4.4
292.07385	1.2
293.08182	7.6
294.09009	1.8
296.10529	4.2
307.09760	1.5
308.10553	5.1
309.07739	100.0
323.09280	5.0
324.10071	29.7
339.12408	72.2
359.57770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03454	1.1
59.01383	54.9
61.40619	0.7
61.59990	0.8
64.97945	0.8
67.21335	0.8
71.01380	36.4
71.05029	4.0
73.02940	13.5
75.52270	0.7
81.03455	23.8
83.01385	4.4
84.02158	1.3
85.02950	19.0
87.52754	0.7
87.88203	0.8
89.02435	6.4
95.01391	3.1
99.00886	5.4
99.04515	46.1
101.02444	28.5
102.01740	0.8
113.02444	22.6
117.05588	3.4
119.03462	1.8
123.04542	0.8
124.73680	0.8
143.03571	1.5
147.80489	0.8
159.03008	3.4
161.04549	28.7
178.84233	1.0
279.10883	100.0
339.09363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
59.01382	71.2
71.01384	43.3
71.05008	6.5
72.99299	1.4
73.02949	17.2
75.00877	1.7
75.32841	1.3
81.03461	27.0
82.18710	1.4
83.01370	5.1
84.02162	1.4
85.02955	21.4
87.98613	1.4
88.33826	1.4
89.02440	5.7
94.02985	5.7
95.01402	1.9
97.02944	1.7
99.00879	6.5
99.04517	53.0
101.02441	32.3
102.05599	9.6
113.02454	27.1
124.04062	1.6
159.02975	3.3
161.04526	25.7
192.28296	1.7
193.51701	1.4
279.10889	100.0
339.07596	2.4
339.11642	6.3
339.15552	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
63.09753	0.7
72.58018	1.1
83.13540	1.0
92.68249	0.9
98.44139	1.1
125.09699	2.2
177.12859	4.6
187.09726	1.2
195.13918	100.0
197.15381	1.7
237.15018	1.0
239.12895	50.9
241.14537	1.3
264.48578	1.1
277.21768	1.3
321.20755	2.3
339.18033	8.8
339.22021	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28824	1.0
52.44790	0.9
57.03459	1.4
57.91307	1.0
59.01389	1.8
59.13485	1.1
73.02939	100.0
97.06580	2.8
111.38226	1.1
125.09711	94.9
143.10738	1.7
169.08684	2.6
182.57086	1.3
187.09758	100.0
221.15465	78.9
265.14420	10.1
330.69458	1.7
339.18155	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
98.95579	0.3
126.96072	0.2
170.00421	1.2
183.01212	17.2
184.02002	0.4
197.02925	0.3
239.07417	0.3
263.22433	0.3
339.20023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91242	0.8
60.35347	0.6
61.04184	0.7
65.60808	0.7
82.03629	0.7
92.23122	0.9
109.07188	0.9
126.33797	0.8
144.39746	0.8
163.11293	100.0
172.19835	1.0
204.64742	0.9
339.20029	2.1
339.23300	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.18480	2.3
59.01385	4.1
67.92017	2.4
71.01342	2.2
87.04501	18.1
87.99074	2.3
97.93764	2.7
125.06055	5.6
125.09771	3.4
127.07648	4.9
138.55345	2.8
139.11267	14.6
151.96487	2.4
167.10869	2.7
169.12285	3.8
171.10298	6.3
181.44847	2.4
201.11359	3.9
211.13406	17.9
251.16606	11.1
277.21783	11.3
286.08536	2.9
293.21185	4.1
339.21780	100.0
339.24841	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.3
59.01375	6.9
68.68239	1.2
71.01387	2.8
71.05006	2.0
81.03450	1.6
87.04513	9.7
120.16059	1.5
127.07619	9.2
139.11282	2.7
139.25101	1.4
141.03712	1.4
155.36078	1.5
157.08727	3.2
161.11440	1.3
167.10771	2.8
171.10280	15.5
179.14453	18.2
181.12381	1.5
184.04547	1.6
195.13930	3.0
197.15488	6.7
211.13469	16.0
212.69345	1.5
223.13408	19.0
241.14534	16.4
251.16483	8.8
263.16336	2.0
277.21625	11.7
279.10742	2.4
281.17499	1.5
295.22797	3.4
321.20831	2.3
339.18222	6.0
339.21786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2178
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.22977	1.0
59.01376	1.5
82.29988	1.1
87.10784	1.3
88.12308	1.0
93.11955	1.2
97.06561	1.7
101.06056	1.6
125.06035	1.4
135.79468	1.1
139.11282	2.4
143.07150	2.6
151.11288	1.4
155.10822	8.7
166.12276	2.4
169.12329	9.7
178.09987	5.1
213.11345	2.7
213.14980	1.3
219.13951	2.4
235.13446	14.4
237.14946	100.0
246.18927	1.2
253.14346	6.7
260.70865	1.3
277.21909	1.2
303.19577	2.5
321.20743	74.0
339.21863	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2179
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.66821	0.7
59.01381	3.8
113.09748	1.8
120.32904	0.9
140.15723	0.9
141.71909	0.9
146.72711	0.9
151.88710	0.9
158.30730	0.9
183.01250	3.6
183.13939	1.9
195.13916	26.1
197.02853	1.3
206.53775	1.0
243.44804	0.9
277.21768	24.6
279.10742	1.2
295.22803	100.0
311.22430	3.7
339.20074	36.0
339.25418	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77296	0.7
57.03463	0.8
58.02975	10.3
78.79267	1.0
96.96001	4.0
125.09707	4.0
137.06058	1.0
139.11403	1.4
163.38979	0.9
171.10252	1.7
195.06671	1.1
204.54634	1.0
211.72253	0.9
224.20229	3.8
236.20186	3.8
277.22784	6.4
278.21240	9.3
309.00507	3.5
309.06116	4.8
321.17166	1.3
322.20285	3.6
324.02667	4.6
339.05096	2.7
339.18420	8.0
339.22894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.67116	0.4
59.01400	0.4
67.29601	0.3
91.08553	0.5
106.04247	0.7
121.09225	0.4
163.11285	15.4
175.11266	0.8
176.12042	1.8
177.12845	2.7
190.09993	0.7
207.10318	0.5
208.11073	1.7
229.13780	0.4
235.73042	0.4
279.23236	0.5
281.15381	0.9
282.16275	4.8
283.17035	6.1
339.23300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.13549	0.3
65.11981	0.4
68.30383	0.4
80.25435	0.4
87.41500	0.4
97.93760	0.4
99.35636	0.4
121.18435	0.4
142.63016	0.4
163.11284	100.0
273.54300	0.5
339.23315	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2544
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
52.27768	2.3
52.46185	2.4
53.17205	2.1
59.01369	3.0
69.01115	2.3
89.92275	2.3
95.66138	2.3
103.12655	2.6
111.20934	2.7
112.09231	2.3
118.70827	2.7
158.30283	2.7
295.26462	100.0
339.20026	11.1
339.25458	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2541
Annotation	CHEBI:78769
Peak:m/z	Relative Intensity
52.22812	1.3
57.03193	2.1
57.03450	30.4
59.01362	1.7
64.21095	1.4
67.35770	1.3
83.01392	2.8
90.43714	1.6
133.22112	1.6
156.88599	1.8
158.92845	2.3
163.11307	7.6
237.22209	10.3
256.93726	1.7
279.20169	2.0
279.23288	69.9
295.26453	100.0
315.73953	1.8
334.94751	1.9
339.19705	1.9
339.25577	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2544
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
54.82277	0.5
58.12939	0.4
60.95805	0.5
62.18277	0.5
71.31520	0.5
73.39120	0.5
75.00858	0.8
100.05635	0.5
236.76619	0.5
277.25385	75.7
278.42914	0.6
295.26398	2.6
321.24384	26.5
327.42371	0.6
339.20355	3.7
339.25433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12959	2.2
59.01384	100.0
59.01687	3.7
74.02496	2.8
98.41653	2.2
136.55431	2.5
163.11269	12.1
166.06944	2.6
215.31635	2.4
271.22882	3.2
279.23279	80.4
282.16055	2.9
283.17023	4.0
297.24350	24.3
339.19711	6.0
339.22772	54.1
339.29132	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2544
Annotation	Secosubamolide
Peak:m/z	Relative Intensity
56.44084	0.6
63.03914	0.5
69.26306	0.5
75.00868	100.0
141.39607	0.6
143.17496	0.6
163.11325	1.0
168.76239	0.6
173.53851	0.7
196.96800	0.6
212.26457	0.6
281.24878	46.9
304.65924	0.6
332.59506	0.7
339.20667	1.2
339.25433	18.1
339.29074	3.8
339.32617	0.6
352.49173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2907
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
50.59227	2.1
53.43690	2.5
59.01384	25.3
69.03452	14.1
70.49706	2.3
75.00866	100.0
83.05022	15.7
89.80999	2.4
95.90649	2.5
146.33545	2.9
184.44679	2.6
239.23790	14.2
243.26848	2.6
273.25824	3.6
275.27530	12.7
276.92178	2.8
279.27005	17.0
281.24893	58.9
291.26953	11.2
293.28503	3.7
295.30084	33.5
309.28049	36.2
321.22617	4.3
339.19907	10.5
339.28821	84.0
356.00467	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2906
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
55.48101	0.8
57.03449	3.5
60.21767	0.6
69.03445	8.3
71.01353	1.0
71.05019	5.0
74.02139	0.6
84.36604	0.8
85.06592	2.9
98.50898	0.8
113.02431	0.8
121.46067	0.7
152.33902	0.8
163.11281	6.7
267.26978	18.3
279.24258	1.2
279.26920	8.8
293.28564	2.8
295.30048	10.7
321.27957	1.3
339.22955	3.0
339.29068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79568	1.6
97.67470	1.9
99.99793	1.6
106.63924	1.7
117.03448	29.5
131.08347	1.8
135.04512	2.8
147.04465	2.0
178.05057	3.7
194.09735	10.0
208.07541	3.2
209.08382	2.0
220.07669	8.1
222.09207	24.6
224.07150	4.4
224.10753	8.5
236.07159	11.6
237.07948	52.6
239.85724	1.9
250.08676	22.6
252.04283	7.6
252.10326	41.5
267.06635	11.8
278.08154	3.9
296.09290	100.0
310.10886	99.2
325.13232	65.0
329.88727	2.0
340.08356	69.1
340.15491	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68467	1.9
78.15611	1.9
85.93446	1.8
117.03452	14.2
118.03681	1.9
129.44495	2.0
135.04509	2.9
209.08606	2.4
222.09204	17.4
224.04865	3.5
224.07130	3.5
236.07149	4.6
237.07959	4.0
250.08730	12.5
252.04500	3.3
252.10393	18.6
267.06638	14.3
282.11496	3.0
296.06140	3.9
296.09238	44.5
310.10870	100.0
325.13217	63.9
340.08588	34.6
340.12073	7.0
340.15518	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68467	1.9
78.15611	1.9
85.93446	1.8
117.03452	14.2
118.03681	1.9
129.44495	2.0
135.04509	2.9
209.08606	2.4
222.09204	17.4
224.04865	3.5
224.07130	3.5
236.07149	4.6
237.07959	4.0
250.08730	12.5
252.04500	3.3
252.10393	18.6
267.06638	14.3
282.11496	3.0
296.06140	3.9
296.09238	44.5
310.10870	100.0
325.13217	63.9
340.08588	34.6
340.12073	7.0
340.15518	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31928	0.9
54.32027	0.8
59.94757	1.0
62.53175	0.9
66.24464	0.9
67.83098	0.8
85.60785	1.0
109.26661	1.0
113.83874	1.1
210.05534	1.4
238.05124	53.1
250.55983	1.0
253.07466	100.0
267.06674	2.0
268.09781	14.5
297.06464	4.5
310.10803	13.0
312.08795	24.2
323.77274	1.0
325.13110	8.1
340.08331	34.9
340.15219	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1194
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
58.80104	0.7
63.43233	0.7
72.15270	0.9
74.37050	0.6
82.17953	0.7
83.33960	0.6
97.43800	0.7
108.02161	4.1
109.02927	1.5
111.34084	0.7
121.02942	0.8
122.03741	4.9
123.04514	13.1
136.01659	4.7
137.02461	6.0
146.02426	0.9
149.02428	0.8
151.04021	13.7
159.03236	0.9
160.04030	3.1
172.04045	1.4
174.05592	5.0
198.73572	0.8
224.09818	0.7
241.04575	0.7
244.58937	0.7
264.06699	3.9
265.07599	0.9
278.08286	1.2
279.05548	1.2
280.06219	21.0
280.09604	1.2
281.06979	1.5
282.07727	9.0
292.06158	5.0
294.07751	3.3
295.08533	6.0
296.09369	6.9
297.10153	3.3
306.07761	1.4
307.08521	1.6
308.09399	1.6
309.06650	1.5
310.07272	4.0
310.10950	5.2
324.08795	11.9
325.09601	10.9
325.13339	3.2
339.78339	1.0
340.11960	100.0
340.15341	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25489	0.7
56.45717	0.6
79.44524	0.7
106.04179	0.9
107.05032	3.8
113.21796	0.8
123.04525	6.8
135.04521	22.7
161.02463	1.5
162.03265	6.8
224.04704	1.2
231.20700	0.9
239.07115	1.4
246.77040	0.9
252.04277	3.2
253.05130	1.5
267.06674	5.1
282.05292	6.1
282.11551	1.0
296.06799	1.7
310.10867	26.8
312.12415	4.5
322.10812	1.7
325.09824	1.5
325.13242	17.8
335.05850	1.0
340.11893	100.0
340.15591	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93159	0.7
66.24100	0.6
85.75354	0.6
107.05034	6.4
123.04488	5.8
135.04526	28.5
147.04460	0.7
161.02440	2.9
162.03236	6.6
178.08801	1.2
239.07123	1.0
250.06432	0.8
251.07082	1.2
253.05124	2.7
254.06038	0.9
267.06729	1.3
268.07315	0.8
279.06729	1.0
281.04678	1.2
282.05402	6.7
295.05948	1.3
296.06906	1.1
310.10730	3.4
312.12372	3.7
322.10895	4.1
340.11938	100.0
340.15244	4.0
359.45255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1192
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
55.84784	0.3
64.78896	0.3
77.90116	0.4
82.52386	0.3
98.31182	0.3
107.05020	3.7
121.02941	0.6
122.03677	0.4
123.04523	8.5
133.03001	0.6
135.04523	28.2
137.06062	0.5
149.02345	0.5
150.09268	1.5
161.02451	2.5
162.03226	5.7
175.04013	0.5
178.08714	0.9
216.62990	0.4
225.05693	1.5
239.07190	2.4
250.06195	0.5
251.07053	0.8
252.88344	0.4
253.05089	3.2
254.05933	0.7
267.06656	3.0
268.07300	0.6
269.08224	0.4
279.06589	1.5
281.04498	1.5
282.05353	6.9
282.11551	0.6
284.13000	0.8
291.06824	0.4
294.11365	0.7
295.06210	0.8
296.06921	2.0
297.07748	2.0
306.07733	0.4
309.07706	0.5
310.10873	2.8
312.12515	4.3
322.10953	2.6
325.09509	0.7
325.13214	1.9
340.11935	100.0
340.15170	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85067	0.5
58.12674	0.5
58.77361	0.5
60.40807	0.5
102.29168	0.5
105.96546	0.5
107.05032	5.5
119.47501	0.6
122.03722	1.2
123.04506	6.6
135.04530	27.2
161.02446	2.9
162.03262	6.2
163.20598	0.6
168.45177	0.6
220.98735	0.6
223.07585	0.9
224.04810	1.1
238.06416	0.6
239.07178	1.4
250.06181	0.7
252.04167	1.0
253.05124	3.1
254.05878	2.4
267.06714	3.8
269.08044	0.9
279.06769	1.1
281.04623	1.1
281.08008	0.8
282.05310	6.4
282.11487	0.7
295.05878	0.7
296.06924	1.2
297.07632	1.4
310.10880	14.8
312.12469	5.3
322.10941	3.2
325.13187	12.4
340.11938	100.0
340.15573	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75652	0.7
78.96055	0.6
97.02103	0.8
107.05016	3.2
123.04501	5.8
130.06490	0.7
135.04529	25.6
135.05525	0.9
161.02458	1.0
162.03273	8.1
172.17986	0.7
239.07140	1.2
252.04105	1.0
253.05154	1.7
254.05861	1.0
267.06680	4.2
281.04492	1.0
282.05441	7.6
296.07004	1.5
297.07581	1.5
309.07724	1.0
310.10907	18.0
312.12512	4.3
322.10883	1.6
325.13330	9.6
326.72348	0.9
340.11948	100.0
340.15607	13.7
342.25504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73572	0.5
69.36808	0.4
72.28798	0.5
85.38764	0.5
92.23101	0.6
93.24325	0.5
107.05032	4.2
109.84889	0.5
121.02937	0.7
123.04512	8.1
135.04529	25.0
137.06175	0.6
150.09196	0.5
161.02412	1.9
162.03258	5.8
178.08760	0.7
239.07153	1.9
241.08810	0.8
247.89447	0.5
251.07051	1.1
253.05107	2.7
254.05753	1.0
267.06631	2.7
268.07278	0.7
269.08240	0.7
281.04507	1.7
282.05389	7.2
282.11096	0.7
294.11389	0.9
295.06097	0.7
296.06967	2.1
297.07501	1.3
310.10907	4.5
312.12387	5.0
322.10916	3.5
325.09766	0.6
325.13354	2.0
339.10959	0.5
340.11935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05753	0.4
68.46592	0.4
77.62161	0.5
107.05048	3.5
118.97962	0.5
122.03737	0.5
123.04529	6.2
135.04529	26.4
150.09186	0.6
161.02467	3.7
162.03233	5.9
173.02415	0.6
174.12167	0.4
223.07715	0.5
225.05533	0.6
239.07164	2.2
249.05719	0.5
251.07214	0.8
253.05260	3.2
254.05951	0.8
267.03006	1.8
267.06625	2.2
278.05841	0.5
279.06631	0.8
281.04739	1.1
282.05368	6.1
282.11432	0.5
284.12958	0.9
288.30765	0.5
295.06076	0.6
296.06866	2.4
297.07681	1.9
306.07678	1.0
310.11017	2.1
312.12497	5.6
322.10965	2.8
325.09564	0.9
325.13171	0.8
340.11948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.119
Annotation	(+)-Caryachine-N-oxide
Peak:m/z	Relative Intensity
50.02571	0.7
54.28101	0.6
58.02971	0.9
59.01372	1.1
73.02956	1.2
74.33443	0.7
75.20454	0.8
87.04508	11.3
90.62512	0.7
119.04963	0.9
125.09708	1.8
137.02452	8.8
152.04778	17.3
167.07074	1.0
168.13940	1.0
186.11333	6.9
208.07680	1.0
212.12920	5.3
226.08711	1.0
236.07240	1.1
238.08771	5.7
252.06638	1.2
253.07361	1.7
254.08185	1.4
262.05151	1.6
264.06610	6.3
266.08194	1.4
281.06934	6.7
282.07721	8.2
291.05322	8.3
292.06174	29.7
294.07877	1.4
309.06357	4.8
310.07260	39.0
310.10855	3.1
324.08789	11.1
325.09576	32.4
325.12949	1.7
340.11917	100.0
340.15399	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06921	0.8
67.77589	0.7
70.14986	0.7
71.89033	0.7
101.96503	0.8
157.64185	0.8
167.72226	0.8
170.79002	0.9
224.04776	3.5
239.07137	1.8
252.04211	9.7
267.06635	14.9
282.11411	4.1
310.10876	100.0
325.09979	2.7
325.13235	67.9
340.15570	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38279	0.5
58.76522	0.6
70.29427	0.6
80.47823	0.6
89.95912	0.6
94.78445	0.6
115.23592	0.7
126.67628	0.8
167.19792	0.7
172.81111	0.7
224.04704	4.6
239.07066	3.6
252.04285	6.6
267.06601	14.8
282.11423	3.5
292.51511	0.6
310.10886	100.0
314.05273	0.7
325.09937	1.6
325.13217	59.4
340.15555	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89177	0.5
61.57207	0.5
62.13303	0.4
62.13676	0.5
64.77827	0.5
77.95287	0.5
103.92165	0.6
139.93446	0.6
147.25252	0.5
149.55299	0.6
150.05704	0.6
177.01898	1.1
178.02275	1.3
191.71043	0.5
203.07083	0.6
224.04845	5.9
239.07268	1.1
252.04280	8.3
266.54395	0.6
267.06631	17.5
282.11404	5.2
310.10876	100.0
325.13217	65.6
340.07852	2.4
340.15555	90.8
344.28909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34215	0.6
98.48940	0.9
117.03474	0.8
126.39522	0.8
165.85741	0.7
192.06702	3.1
224.04842	4.4
239.07135	3.0
252.04303	6.0
267.06647	14.1
282.11420	1.8
296.09335	1.8
310.10892	100.0
325.13245	58.0
340.11954	7.1
340.15567	81.7
359.33075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1557
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.43626	0.7
60.02763	0.5
63.10931	0.6
72.99297	0.6
96.87492	0.7
140.63680	0.7
164.07193	1.1
170.63771	0.6
182.02284	0.7
224.04805	4.2
239.07169	4.1
252.04247	8.2
267.06659	14.1
282.11435	2.7
310.10892	100.0
325.13235	67.3
340.15570	78.5
345.39044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00206	0.4
52.11602	0.4
56.66777	0.4
68.25658	0.5
74.78702	0.4
127.03148	0.4
224.04817	6.1
238.47946	0.5
239.07152	2.1
252.04324	6.7
267.06625	15.4
282.11359	4.3
285.72742	0.5
310.10886	100.0
325.13223	67.8
340.15558	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18109	0.4
59.01358	0.5
61.19126	0.5
64.55284	0.5
67.31162	0.4
69.75309	0.5
71.11268	0.5
71.91615	0.5
88.55370	0.5
92.12474	0.5
93.48717	0.5
154.44096	0.5
163.79048	0.5
178.50021	0.6
193.06123	0.5
224.04906	4.2
239.07187	2.8
252.04317	7.6
262.53387	0.6
267.06644	15.6
281.41586	0.6
282.08694	0.8
282.11566	4.2
310.10901	100.0
325.13248	59.3
340.12030	2.6
340.15579	71.9
362.05331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90841	0.9
59.35814	0.9
67.35195	0.9
74.05270	1.0
132.69167	1.3
149.06030	1.1
149.09760	2.4
163.11296	18.9
164.08456	20.6
177.09209	100.0
198.05058	1.5
326.39932	1.3
340.20438	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74994	0.4
55.89982	0.4
59.92502	0.5
151.00836	0.5
163.11292	93.1
164.11620	89.2
165.05797	0.5
233.06273	0.5
241.35913	0.6
340.23676	100.0
361.04626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04131	0.6
83.74577	0.7
84.04553	7.6
85.02959	1.1
90.21690	0.7
97.39207	0.8
100.07716	1.7
102.05609	67.3
237.22260	1.8
254.24921	17.6
294.28058	5.0
296.29626	38.8
296.33075	1.3
322.27692	5.5
340.28607	100.0
355.55890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83584	0.3
57.88305	0.4
59.01386	7.7
62.01685	0.4
71.01384	4.9
75.00860	0.9
78.95907	25.5
85.02954	1.0
89.02441	7.0
96.96960	100.0
101.02444	2.6
108.39516	0.4
113.02441	2.1
115.58356	0.4
119.03502	2.2
120.77385	0.4
125.02451	0.5
147.41910	0.4
159.57692	0.4
179.05638	2.1
341.04163	0.5
341.11008	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Platycarpanetin
Peak:m/z	Relative Intensity
51.40591	0.3
62.83036	0.3
71.13121	0.4
85.76007	0.4
93.86459	0.4
94.81346	0.4
142.42816	0.4
150.63722	0.4
184.54094	0.5
242.02211	0.5
269.00876	0.6
270.01682	4.2
271.02545	0.8
284.03290	0.8
297.00482	2.8
297.07614	1.5
308.03381	0.8
312.49136	0.4
313.07181	1.5
323.05624	4.2
341.06671	100.0
341.88498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	bikisocoumarin
Peak:m/z	Relative Intensity
59.01377	5.0
69.34300	1.1
71.01367	1.9
71.57573	1.1
73.02952	4.4
89.02434	2.6
110.31648	1.0
112.11671	1.1
125.09734	1.1
137.10757	1.3
171.10295	2.1
212.42300	1.0
223.17055	6.2
225.05602	54.8
253.05087	100.0
254.05879	26.0
267.16104	5.5
282.05374	85.2
297.07736	46.3
297.11078	3.4
323.22391	2.6
341.06720	70.0
341.10544	9.2
341.19608	1.7
341.23508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0671
Annotation	Irisoid C
Peak:m/z	Relative Intensity
50.74582	0.8
59.01379	6.1
63.50665	0.8
65.03090	0.8
67.57158	0.9
71.01382	1.6
78.06525	0.8
80.33007	0.8
82.88073	1.0
83.05013	1.4
89.02438	4.5
92.22585	1.3
94.41853	1.0
95.05013	1.4
101.02464	2.0
105.35603	0.9
113.02446	1.0
125.09698	3.6
134.54230	0.9
164.73227	0.9
171.10275	5.8
185.11852	1.7
201.11308	4.1
209.11856	11.4
221.15442	1.1
226.06313	1.3
235.13432	3.7
239.03535	9.1
253.05150	8.8
254.05844	7.0
264.04300	1.6
265.14377	3.7
267.03000	67.3
269.08411	1.6
277.07977	1.2
281.04483	10.6
282.05402	35.7
297.04202	2.1
297.07791	4.0
305.17444	2.2
311.02002	7.5
311.09216	1.2
323.18661	5.8
325.03528	7.8
326.04453	3.5
341.06702	100.0
341.10431	4.3
341.19714	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0669
Annotation	Irisoid B
Peak:m/z	Relative Intensity
53.66387	0.8
59.01381	13.9
71.01376	10.8
72.37364	0.8
85.02971	0.9
89.02435	14.9
98.44370	0.8
101.02441	3.6
105.56242	0.8
110.71638	0.7
113.02457	5.0
119.03524	3.1
127.45579	0.9
135.83578	0.8
147.70975	0.8
147.84795	0.8
179.05670	4.1
193.27049	1.0
239.03543	0.9
254.02290	6.8
255.03102	2.0
265.01428	10.0
265.95776	1.0
267.02972	25.5
267.05545	1.5
269.04599	35.2
269.07364	1.6
270.05304	3.5
280.03806	17.3
282.05347	13.9
283.02438	2.0
295.06287	5.8
297.04028	1.3
298.04843	3.4
309.04007	6.1
311.02026	23.5
311.11301	2.0
326.04364	61.7
341.06757	100.0
341.10938	16.3
341.15695	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
59.60493	0.4
66.39583	0.4
71.01379	4.5
72.62405	0.4
74.24606	0.5
85.02940	0.9
89.02437	6.2
98.47274	0.5
99.00913	0.6
101.02425	2.1
103.84278	0.5
107.05030	0.5
110.47584	0.5
113.02448	1.1
119.04982	0.5
134.03743	0.7
135.04524	82.1
137.02443	0.5
161.02437	4.6
163.03967	1.8
165.44398	0.6
166.02783	0.7
177.05568	1.1
177.12767	0.5
178.06364	1.9
179.03506	100.0
221.04630	2.0
251.05608	2.7
281.06662	2.7
297.09854	0.5
299.42288	0.5
341.08463	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.35054	0.6
59.01379	1.6
59.72295	0.7
62.23279	0.7
71.01356	0.9
77.91377	0.8
79.68948	0.8
89.02435	1.0
96.84581	0.8
135.04521	72.4
161.02420	3.0
177.05551	1.7
179.03500	100.0
217.50584	0.7
221.04677	2.8
251.05711	1.2
281.06686	3.4
341.08618	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29659	1.4
56.95197	1.3
59.01390	15.9
71.01379	9.7
72.99325	1.6
75.00859	15.5
85.02956	5.9
85.06110	1.4
89.02440	9.8
97.25024	1.5
99.00868	6.6
101.02436	7.0
112.90484	1.5
113.02444	3.8
113.82855	1.5
117.03459	9.2
129.01944	3.8
134.03740	100.0
147.02942	11.2
149.06073	9.4
161.04492	1.8
165.04057	46.8
193.05067	91.1
225.75447	1.6
261.74680	1.9
281.12387	2.2
281.95905	1.5
341.08575	42.6
341.15652	1.8
341.19833	6.7
345.90594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01368	2.2
64.87794	0.5
66.47181	0.4
71.01370	1.1
87.35535	0.4
88.61456	0.5
89.02432	2.2
91.45094	0.4
101.02415	0.9
108.73301	0.4
113.02375	0.7
135.04520	54.6
154.61203	0.5
156.45656	0.5
179.03500	100.0
305.50919	0.5
341.08917	4.5
341.11618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66143	0.4
58.35318	0.4
59.01382	0.9
67.31392	0.4
67.48295	0.5
86.18872	0.5
89.02436	0.7
99.58605	0.5
129.92567	0.5
135.04530	62.9
178.02661	0.8
179.03511	100.0
239.36200	0.5
247.94777	0.5
291.91284	0.5
311.11224	11.5
318.71243	0.6
326.13553	7.7
341.08798	29.9
341.15649	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99062	0.3
54.87576	0.5
54.99117	0.4
59.01377	3.9
71.01375	3.2
89.02439	4.2
101.02455	0.8
113.02459	1.0
119.03502	0.6
127.00020	0.5
133.52063	0.5
134.03813	0.5
135.04527	53.5
136.18550	0.5
179.03510	100.0
180.32707	0.5
194.41850	0.5
203.36133	0.5
210.61198	0.4
303.73413	0.4
319.09583	0.5
341.08768	4.1
341.11392	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.13730	0.4
55.49359	0.5
59.01379	5.3
71.01384	3.2
82.42004	0.5
89.02440	5.8
101.02449	2.3
109.02949	0.9
113.02457	2.4
134.03722	1.2
135.04524	57.3
146.03647	0.6
153.73538	0.6
154.34259	0.5
167.39101	0.5
179.03502	100.0
181.05112	0.8
240.04207	0.7
265.05246	0.7
268.03842	1.2
308.09137	0.7
310.10696	0.9
311.11185	8.0
322.15417	0.5
326.10086	5.4
326.13632	4.2
341.08789	27.6
341.12393	6.7
341.15988	3.5
357.09601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17282	1.1
59.01373	2.8
60.22527	1.1
71.01364	2.6
82.42487	1.3
86.22682	1.5
89.02433	2.4
93.03461	1.6
111.14639	1.3
121.02974	2.8
134.03732	7.0
135.02997	8.2
147.04469	13.0
149.02435	72.2
163.04172	1.4
164.04797	100.0
179.07130	3.2
185.06921	1.4
193.05055	6.4
223.06122	97.9
311.09482	1.7
318.99701	1.7
341.08932	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05639	0.6
54.09469	0.5
55.01882	5.2
59.01382	1.4
62.19012	0.5
66.00297	0.7
71.01393	2.4
74.37408	0.6
75.00867	4.1
85.02929	1.3
86.00682	0.7
89.02418	1.6
99.00877	0.8
117.03460	10.7
120.23367	0.7
129.01935	3.4
134.03743	100.0
147.03053	4.9
147.04208	0.5
149.02386	4.8
149.06094	12.6
156.83760	0.7
164.04831	7.1
165.04059	5.9
178.02708	3.4
179.05745	0.7
193.05072	94.8
200.06624	0.7
207.42429	0.8
223.06204	6.5
249.04036	0.8
299.75778	0.7
334.94724	0.8
341.08759	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01380	3.0
62.66585	0.3
65.76615	0.3
71.01387	0.8
79.05675	0.4
89.02451	0.9
101.02403	0.7
102.16016	0.3
107.68269	0.3
111.98282	0.4
113.02457	0.6
119.03535	0.5
133.02942	0.8
134.03766	0.6
135.04529	100.0
149.06129	0.5
161.02446	12.6
163.04021	0.5
175.04051	0.7
177.05544	1.5
179.03500	7.4
179.05594	0.5
203.03517	6.6
221.04636	1.5
245.87079	0.4
281.06723	0.5
281.12228	0.4
341.05002	0.7
341.08691	7.3
359.51074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47168	1.1
59.01375	1.9
70.45436	1.2
71.01379	1.3
73.94707	1.1
74.45074	1.1
75.00875	2.2
89.02470	1.4
91.46087	1.2
102.18490	1.4
117.03473	2.2
121.02960	2.5
132.02142	1.6
133.32693	1.4
134.03745	44.9
135.03020	10.5
147.03038	2.1
147.04514	11.8
149.01227	2.2
149.02437	68.9
149.06100	6.0
164.04796	100.0
165.04044	2.4
166.30969	1.2
179.05646	1.5
179.07130	5.2
183.61314	1.3
193.05077	41.7
223.06119	87.3
283.09763	8.1
297.11417	1.7
298.12030	1.7
311.09308	43.0
325.88330	1.2
326.11603	18.0
337.29199	1.3
341.09094	13.1
341.13962	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90436	0.5
62.64909	0.7
69.67641	0.6
78.95901	56.3
83.16100	0.7
87.11991	0.7
96.96957	4.0
108.26985	0.7
121.63339	0.7
125.09705	2.9
137.17432	0.7
140.78813	0.7
142.37521	0.7
150.98056	0.8
151.36656	0.6
152.99588	100.0
166.80710	0.8
171.00638	3.8
187.09697	1.1
221.39334	0.7
261.24368	0.7
341.10110	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
65.05583	0.6
71.01372	1.1
78.95900	100.0
83.19197	0.6
85.72870	0.5
89.02445	1.5
92.23199	0.8
95.15398	0.6
96.96970	4.7
115.03988	0.9
116.90413	0.7
125.09752	5.3
150.97966	0.8
152.99579	82.8
154.00929	0.8
161.80379	0.7
164.04796	5.7
164.70210	0.6
166.00946	1.1
171.00627	1.5
172.67824	0.6
179.07066	4.7
187.09782	3.6
198.55603	0.6
224.63033	0.6
243.03293	2.7
281.12695	0.7
311.11121	0.9
311.40149	0.6
341.10107	57.6
341.16586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1029
Annotation	Cudraniaxanthone
Peak:m/z	Relative Intensity
58.35838	1.0
59.01379	1.7
71.12072	1.0
75.22200	1.0
87.04550	1.3
101.02457	1.4
127.05727	0.9
139.11378	1.3
152.04771	1.6
171.10359	1.7
240.04254	12.7
268.03815	23.7
281.06735	1.2
283.06116	80.8
290.78094	1.1
292.05765	1.4
293.06458	9.6
296.03323	1.5
311.05515	100.0
325.09143	2.5
326.07852	67.5
341.10629	29.4
341.19196	1.4
341.23517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1033
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
59.01371	4.1
61.63140	0.8
62.19151	0.7
67.60024	0.7
69.41064	0.8
71.01376	1.3
81.03455	1.1
83.05026	1.9
85.02947	1.0
89.02436	1.3
90.40836	0.9
95.05038	1.6
99.04514	1.0
106.92081	0.9
113.02360	0.8
116.25996	0.7
123.08167	0.9
125.09731	3.1
133.05054	0.9
137.09756	1.1
143.07092	1.0
147.25580	0.9
149.09775	1.5
161.09747	1.1
163.11319	1.0
171.10143	2.6
181.12364	1.8
185.11806	1.0
201.11325	3.3
207.23489	0.8
209.11845	13.1
211.13461	0.9
213.15024	1.2
223.09692	1.8
227.13014	1.7
239.12885	1.5
243.17436	1.0
252.07961	1.9
257.13892	1.2
263.16647	0.9
265.05145	1.2
267.06622	4.9
269.04535	3.6
279.06717	3.8
279.19653	3.3
280.07452	5.4
283.06143	10.9
293.04544	3.2
293.07990	2.6
297.07718	9.7
297.20779	1.7
298.08548	0.9
305.17624	4.4
307.06198	1.0
308.00757	1.0
308.06976	8.7
309.07690	19.1
310.04703	1.1
311.05682	17.2
323.18536	7.7
325.07220	40.4
326.08051	39.1
341.10355	100.0
341.19623	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Sucrose
Peak:m/z	Relative Intensity
59.01382	86.0
66.36038	1.4
71.01373	56.2
71.01735	2.8
85.02941	3.1
87.76233	1.5
89.02435	83.4
89.02959	3.4
95.01378	2.4
101.02434	34.5
104.75617	2.1
113.02429	29.2
119.03468	21.3
131.03487	2.2
143.03514	3.5
161.04556	7.2
172.23967	1.9
179.05669	28.8
328.88184	1.9
341.10950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Sucrose
Peak:m/z	Relative Intensity
59.01383	74.9
59.74952	1.2
71.01378	48.6
73.02967	1.4
75.79675	1.4
85.02946	3.3
89.02438	77.9
101.02445	28.9
107.97438	1.4
113.02449	29.2
119.03488	26.2
134.80859	1.5
161.04543	8.0
176.52858	1.6
179.05615	26.0
191.05592	5.6
218.32039	1.5
341.10910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98105	1.4
53.99782	1.6
58.06525	1.9
59.01384	100.0
71.01379	51.6
71.01742	1.7
85.02950	10.2
89.02441	84.6
99.58511	1.7
100.30467	1.9
101.02437	31.0
111.15300	2.1
113.02423	28.1
119.03477	20.3
149.04567	4.0
153.64850	1.9
161.04529	7.1
179.05632	23.2
269.36005	2.1
281.08905	2.0
341.04477	2.5
341.10925	96.7
362.04233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1093
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
59.01381	94.4
71.01379	60.0
74.59705	1.6
77.60299	1.4
85.02953	7.1
89.02441	91.6
98.20858	1.6
101.02435	31.9
113.02438	29.2
113.63296	1.5
119.03486	28.2
138.95407	1.9
143.03479	2.3
149.04549	1.8
161.04524	3.9
179.05620	30.1
193.05127	1.7
202.68849	1.8
265.01669	2.1
267.03015	8.0
269.04529	14.8
280.03778	10.9
311.01965	8.5
311.11429	2.2
326.04388	24.3
341.06674	47.7
341.10898	100.0
341.19687	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
54.04209	1.0
54.40765	0.7
59.01365	1.9
59.83527	0.8
68.90093	0.8
77.88048	0.8
78.95930	1.9
85.03005	0.9
130.84879	0.7
143.86212	0.9
145.02910	1.5
255.10272	5.6
270.12646	1.9
283.09769	22.9
294.08948	1.5
295.09799	6.0
296.10641	2.1
297.11438	1.4
298.12054	6.1
305.17639	1.1
310.12149	1.5
311.09293	100.0
325.10959	1.8
326.11612	42.7
341.13968	71.3
341.19937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Obovatifol
Peak:m/z	Relative Intensity
50.25668	0.5
50.30238	0.6
56.17512	0.6
56.29700	0.6
58.01160	0.6
60.38647	0.5
63.91083	0.6
72.71108	0.6
92.23093	1.3
111.04504	1.7
128.83286	0.7
140.49841	0.7
145.02917	1.4
151.07666	0.9
171.10233	3.3
185.49396	0.8
209.11693	0.8
255.10304	5.6
266.05936	1.0
269.11862	1.3
270.12650	3.8
283.09717	21.4
294.08835	1.0
295.09695	5.2
296.10370	2.7
298.12027	4.6
310.12280	1.4
311.09271	100.0
325.10837	3.3
326.11615	36.0
341.13956	74.3
341.19839	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60077	1.0
59.01385	100.0
65.29382	1.1
65.92946	1.2
67.43018	1.0
71.01379	48.7
72.99334	1.3
73.02947	7.3
83.01396	2.3
85.02958	12.2
89.02442	68.4
95.01347	1.4
99.00928	2.6
101.02443	43.7
113.02447	25.9
119.03480	20.4
119.07143	6.5
140.91008	1.5
143.03494	4.9
161.04575	15.7
179.05632	18.5
179.43456	1.4
281.12466	69.2
281.15561	2.3
341.10980	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74840	2.2
59.01387	5.1
60.16845	2.4
65.33086	2.7
71.01386	4.9
73.84402	2.3
89.02425	3.7
92.23023	2.5
113.02439	2.2
115.07642	100.0
181.12346	62.9
192.10146	2.6
199.13399	3.4
217.17267	2.8
225.11395	6.0
299.22662	2.5
341.10889	5.5
341.19672	4.8
341.23325	18.4
341.26926	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01380	8.4
60.06015	1.5
71.01373	2.0
81.13268	1.5
83.05035	1.6
89.02435	3.3
97.06599	8.4
101.02428	2.4
120.03824	2.0
123.83421	1.9
125.06078	16.6
125.08829	3.2
125.09715	69.0
127.07652	18.6
129.09215	67.2
137.09698	2.3
139.11296	28.7
141.09212	29.6
142.93257	2.2
143.07153	31.1
153.12854	18.8
155.10783	43.4
169.12350	20.4
171.10320	16.6
183.10301	7.4
183.13893	7.9
187.09778	69.0
197.11847	28.8
199.09744	15.3
201.11339	14.4
206.52402	1.9
211.13420	61.2
213.11179	3.5
215.12894	82.1
217.10822	33.2
250.34021	1.8
268.21573	2.2
279.23361	12.3
305.17654	10.6
341.10916	2.7
341.19635	64.8
341.23383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
61.00063	1.5
71.01361	4.5
89.02434	4.7
99.08126	4.1
119.03482	2.6
119.11774	1.7
134.78093	2.0
141.09225	13.0
145.08704	63.3
151.11293	11.2
155.10776	9.4
169.12340	100.0
171.10254	3.0
179.05696	2.8
213.11324	36.8
217.10843	33.0
341.10828	9.8
341.19644	27.6
341.26636	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41887	0.8
64.75842	0.8
78.30190	0.8
97.85489	0.9
99.08150	3.6
115.07627	1.6
115.20867	1.0
145.08699	39.7
151.11305	11.5
155.10764	1.2
169.12343	100.0
207.10316	2.2
213.11345	50.7
217.10867	5.3
224.84445	1.1
225.11285	8.5
235.52684	1.0
329.59100	0.9
341.19760	31.1
341.23706	1.3
341.26819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91299	1.4
65.09634	1.5
71.60123	1.6
77.36301	1.4
79.05519	1.7
100.70837	1.5
105.07073	2.4
137.09628	9.3
139.11165	7.1
145.10153	8.2
152.26785	1.6
168.51990	1.5
169.12318	5.7
171.10269	13.9
183.37172	1.7
187.14812	3.4
188.96309	1.6
210.50725	1.5
262.08606	1.7
263.17996	1.8
279.20944	10.2
297.22037	10.5
341.20938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35501	0.7
67.01891	1.5
69.03461	1.1
72.50499	0.8
79.05524	4.1
97.06570	5.2
143.07166	1.3
163.13048	1.0
171.10277	4.3
183.13925	15.4
193.12312	12.7
211.13437	31.8
211.56552	0.9
221.11803	1.0
223.17096	1.7
224.22546	0.9
225.14980	9.7
226.11006	1.0
243.15974	2.1
337.45789	1.1
341.19797	5.6
341.23386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.0
66.48724	1.3
71.01385	8.3
73.02943	1.8
82.63265	1.3
84.02167	8.8
89.02448	12.6
90.64229	1.5
97.06593	7.4
99.04520	2.1
101.02406	2.5
102.76579	1.5
113.02462	1.5
125.09714	2.3
139.25984	1.4
140.22545	1.4
169.08682	2.1
171.10283	23.1
179.05563	1.6
183.13953	3.5
193.12399	13.8
211.13380	7.8
223.16946	1.6
225.05629	20.1
225.15009	22.1
243.16005	2.3
251.20203	2.1
253.05118	13.7
254.05904	2.6
269.21039	3.0
279.16898	1.9
279.19537	13.3
280.03836	9.3
282.05292	14.5
295.19153	1.9
305.17496	1.7
308.03314	1.9
311.11310	13.0
323.05533	8.7
323.18793	5.3
326.13522	8.5
341.06699	25.0
341.10852	14.1
341.15897	9.8
341.19534	19.8
341.23380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70486	0.6
54.71295	0.8
59.01382	1.7
65.97711	0.7
85.11702	0.7
155.10779	7.7
171.10275	16.1
179.05792	0.9
240.17847	0.8
251.23875	1.1
261.22458	0.9
279.23340	28.5
295.22745	1.4
297.24380	100.0
303.25620	0.8
341.23376	54.9
341.26788	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
63.49815	1.3
69.63383	1.2
75.00867	2.7
87.00873	44.8
89.02443	2.4
96.06786	1.4
97.90848	1.3
105.01933	73.0
112.18367	1.4
241.79686	1.7
253.21765	100.0
341.23557	28.2
341.27182	3.7
360.56479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79809	0.2
74.40911	0.3
98.14083	0.3
105.01928	2.3
108.79124	0.3
124.96907	0.3
125.94592	0.3
133.48938	0.3
199.20290	0.4
243.40395	0.4
253.21751	100.0
279.26944	40.3
297.28122	1.2
323.25949	12.7
331.73538	0.4
341.23230	5.0
341.26981	37.0
351.08807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2695
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
52.81203	0.3
53.23608	0.3
58.06455	0.3
69.24120	0.4
77.31728	0.3
79.82842	0.3
87.00855	0.5
104.89198	0.4
105.01926	1.9
114.62433	0.3
142.81319	0.4
210.92398	0.4
253.21736	100.0
277.25467	0.5
279.26935	90.1
297.27902	3.0
323.25937	28.6
341.23389	5.8
341.26981	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.27
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01384	60.2
59.01684	2.2
66.80415	0.9
67.81923	1.1
85.12449	1.0
118.98852	1.1
126.37889	1.2
142.91782	1.0
163.11334	2.0
164.11604	2.4
239.83777	1.3
253.25438	1.3
266.60974	1.2
274.10806	1.2
278.59970	1.1
279.26874	12.2
281.24759	10.6
297.27954	2.1
341.27032	100.0
341.30386	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66890	1.4
57.98600	1.5
59.01383	71.6
70.01191	1.5
82.21980	1.3
83.38329	1.6
103.15880	1.6
127.79882	1.7
164.11591	2.4
195.71521	1.5
202.99622	1.7
232.72116	1.6
279.26987	13.9
281.24997	13.0
281.27725	1.5
341.27048	100.0
341.30389	5.1
343.13220	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37240	0.7
57.03445	1.6
59.01387	0.8
68.27990	0.7
75.53314	0.8
76.07130	0.9
81.45036	0.7
85.02938	9.6
99.11668	0.9
103.04016	47.2
146.39259	0.9
167.93051	0.9
255.23322	100.0
267.26959	80.4
269.28552	23.6
308.02066	0.9
310.49442	0.9
313.27505	3.3
314.56683	0.9
341.26910	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.27
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
51.96668	0.8
55.00245	0.7
57.03457	19.6
59.01384	2.0
65.90053	0.7
66.50330	0.7
71.05016	6.1
75.04433	0.8
99.08130	1.4
136.93098	1.0
145.67609	0.9
197.19116	13.9
211.20695	17.7
237.93608	1.2
263.58456	0.8
279.26999	7.4
297.18585	0.9
297.24628	1.1
297.27969	1.3
323.25922	15.6
341.20587	17.3
341.26987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48993	0.4
55.35603	0.4
74.60632	0.5
75.94468	0.5
82.95557	0.4
116.05875	0.5
117.44057	0.5
167.45348	0.6
228.24113	0.6
265.25525	2.2
267.26950	100.0
269.28506	28.1
287.29446	2.6
313.27588	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3065
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
57.63965	0.5
77.39413	0.5
150.07210	0.7
267.26920	6.7
269.28607	1.2
270.90652	0.7
293.28577	2.8
295.30099	83.2
323.29486	2.4
341.30658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99086	0.6
57.11331	0.5
59.01378	2.8
70.21947	0.7
71.01405	0.9
79.01896	3.9
86.35527	0.6
98.02445	0.7
101.40647	0.6
111.00843	0.7
122.02466	0.7
123.00868	1.3
124.33858	0.8
151.00365	11.0
185.06068	1.1
190.05124	14.0
200.07091	0.8
223.06389	1.7
224.07361	1.0
228.06659	5.8
252.06688	14.8
270.05243	1.2
270.07721	7.5
281.04605	1.3
294.04202	1.1
296.05670	3.7
299.05664	16.9
304.51834	0.7
314.06897	3.3
324.05154	4.4
342.06238	100.0
342.09921	3.5
342.19702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08374	0.8
59.01377	2.8
71.01370	1.2
71.10323	0.5
73.02956	0.9
78.95882	0.7
79.01891	4.1
83.30125	0.6
88.38638	0.5
95.01347	0.8
122.02415	0.8
124.01758	0.6
151.00371	8.4
160.04001	1.5
180.03847	0.7
185.06050	1.0
190.05110	15.3
200.07309	0.8
223.06456	4.0
224.07307	1.0
228.06668	4.4
230.36639	0.6
252.06703	15.6
270.07767	7.0
271.06250	1.1
281.04602	1.3
294.04025	2.8
296.05719	1.5
299.02469	0.7
299.05615	17.6
312.01584	2.8
312.09619	1.4
314.06702	2.7
324.05191	2.9
327.11792	0.8
342.06229	100.0
342.09906	5.9
350.63495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27251	0.5
55.76520	0.4
59.01409	0.6
60.43505	0.5
66.53154	0.4
66.68508	0.4
71.02276	0.5
71.52321	0.5
83.14928	0.5
84.68076	0.4
96.13429	0.5
135.07440	0.6
147.01595	0.5
191.12181	0.7
209.14296	0.5
212.03563	2.7
240.03059	0.8
255.05389	27.5
268.10654	0.5
283.04895	100.0
296.06732	0.6
298.07245	42.2
342.06210	11.1
342.10089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02431	1.6
56.83403	1.7
58.60726	1.5
59.01384	4.2
63.97374	1.7
68.55132	1.4
71.01369	2.5
85.94096	1.7
89.02411	2.8
101.02417	1.8
117.03454	3.8
135.04541	2.5
161.74875	2.0
162.02765	2.2
174.05638	3.0
178.05844	2.5
179.03447	2.7
180.03838	7.9
182.06136	8.9
183.06940	3.9
185.06067	10.6
194.06123	9.2
196.07684	40.9
197.08443	2.7
198.09271	13.0
200.07184	3.4
206.06056	1.7
208.04073	3.1
209.04802	3.6
210.05656	21.3
211.06393	3.0
212.07217	29.9
222.05431	8.7
224.07175	70.2
224.98233	1.8
225.07967	38.9
226.08792	19.1
228.83873	1.7
236.07224	2.0
238.05087	10.5
239.05939	1.9
243.37234	1.8
252.06589	16.2
253.07483	3.8
254.08260	100.0
268.06113	7.7
270.07803	2.1
280.06128	12.8
282.07184	3.2
298.01395	2.3
298.07233	78.4
298.10489	3.5
341.99905	9.7
342.06143	45.9
342.09848	3.4
357.60846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99086	0.6
57.11331	0.5
59.01378	2.8
70.21947	0.7
71.01405	0.9
79.01896	3.9
86.35527	0.6
98.02445	0.7
101.40647	0.6
111.00843	0.7
122.02466	0.7
123.00868	1.3
124.33858	0.8
151.00365	11.0
185.06068	1.1
190.05124	14.0
200.07091	0.8
223.06389	1.7
224.07361	1.0
228.06659	5.8
252.06688	14.8
270.05243	1.2
270.07721	7.5
281.04605	1.3
294.04202	1.1
296.05670	3.7
299.05664	16.9
304.51834	0.7
314.06897	3.3
324.05154	4.4
342.06238	100.0
342.09921	3.5
342.19702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
59.58813	0.8
70.44481	0.8
71.01360	1.1
75.13755	0.9
79.30283	0.9
80.44913	1.0
89.02438	1.7
123.99448	1.2
135.04523	54.2
136.04843	52.7
179.03493	70.7
180.03839	100.0
264.29117	1.1
269.07144	2.3
311.11102	4.6
312.11462	26.1
326.13962	1.1
327.13879	16.4
342.00101	1.6
342.09058	47.2
342.15894	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
59.58813	0.8
70.44481	0.8
71.01360	1.1
75.13755	0.9
79.30283	0.9
80.44913	1.0
89.02438	1.7
123.99448	1.2
135.04523	54.2
136.04843	52.7
179.03493	70.7
180.03839	100.0
264.29117	1.1
269.07144	2.3
311.11102	4.6
312.11462	26.1
326.13962	1.1
327.13879	16.4
342.00101	1.6
342.09058	47.2
342.15894	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
59.58813	0.8
70.44481	0.8
71.01360	1.1
75.13755	0.9
79.30283	0.9
80.44913	1.0
89.02438	1.7
123.99448	1.2
135.04523	54.2
136.04843	52.7
179.03493	70.7
180.03839	100.0
264.29117	1.1
269.07144	2.3
311.11102	4.6
312.11462	26.1
326.13962	1.1
327.13879	16.4
342.00101	1.6
342.09058	47.2
342.15894	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65162	0.4
59.01379	1.3
62.39344	0.5
63.83312	0.5
65.22976	0.6
69.05743	0.5
72.00906	2.2
73.02956	1.9
74.06005	0.5
80.26579	0.5
85.77151	0.5
93.03432	2.9
101.02442	11.8
119.04984	3.9
160.07683	2.1
163.04008	11.6
165.05602	1.2
174.73396	0.5
178.08800	0.5
180.06673	100.0
210.99692	0.6
222.07790	3.2
227.80919	0.6
247.45619	0.5
252.08786	9.8
264.08780	0.7
281.73840	0.5
282.12842	1.0
318.99222	0.6
342.11649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22460	0.6
57.53555	0.7
58.08647	0.7
59.01384	0.8
70.16029	0.7
73.09811	0.8
80.09232	0.7
89.02454	1.3
107.05024	1.4
111.73898	0.9
121.02908	1.8
122.03764	1.5
123.04499	5.3
130.08900	1.0
131.27744	0.8
133.02950	1.8
134.03720	1.3
135.04521	21.9
137.02472	0.9
137.06049	6.7
149.06125	1.2
160.01512	0.9
161.02438	11.4
162.03220	6.7
162.05624	1.3
163.04025	1.4
163.06412	4.8
164.07085	1.0
165.07947	14.4
173.08340	0.8
175.04105	0.9
176.03520	0.9
177.07867	0.9
178.08739	3.3
179.03487	1.1
180.10321	15.9
189.04358	4.0
190.05099	13.0
191.05879	5.8
192.06700	1.0
204.06630	3.7
239.07164	3.8
240.04205	1.0
241.05083	19.5
247.76938	1.0
253.05130	1.4
254.05858	1.7
255.06671	4.3
267.06564	1.3
269.04608	1.9
269.08209	1.5
270.11386	4.4
282.11475	1.2
283.06210	5.4
284.06854	2.0
285.10126	1.9
296.07022	1.7
299.09207	1.7
300.12482	1.7
310.10864	3.7
311.09247	6.7
312.08740	1.4
327.11038	8.4
341.99957	1.3
342.13483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16323	0.5
50.39851	0.5
58.84784	0.6
59.01377	1.2
69.76847	0.5
71.01389	0.7
78.86784	0.7
81.72610	0.6
86.02500	0.7
89.02462	1.0
101.02422	0.6
107.05024	3.0
109.02946	0.7
110.61021	0.7
117.99206	0.7
121.02952	2.7
122.03745	1.6
123.04510	5.7
135.04509	20.2
136.04924	0.8
137.02419	1.3
137.06093	7.6
146.03790	1.3
147.04053	1.5
149.02396	0.9
149.06085	1.6
161.02422	10.8
162.03281	6.6
163.04100	1.2
163.06398	5.7
165.07941	17.1
175.82756	0.7
176.03490	1.4
178.08736	2.6
179.03542	1.1
179.07120	1.3
180.03871	1.3
180.07501	4.5
180.10307	15.9
188.62231	0.7
189.04338	3.7
190.05101	12.5
191.05859	6.0
192.06665	1.4
204.06615	3.5
206.08218	0.8
212.04846	2.8
224.07198	1.4
236.61340	0.8
239.07118	2.8
239.09532	3.9
241.05075	21.6
242.05774	1.1
253.05278	0.9
254.05838	4.6
254.08275	1.6
254.11815	1.3
255.06541	2.7
269.04480	2.8
270.11389	4.6
282.11435	1.0
283.06122	3.7
284.06879	4.0
285.10318	1.1
294.07724	1.6
296.06808	1.5
297.07736	0.9
298.07413	1.2
298.10965	0.7
299.01926	0.7
299.09192	1.3
300.12338	1.7
310.10834	1.2
311.09189	6.3
312.08670	3.1
327.10925	8.7
342.13480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.135
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
59.01368	1.8
59.03582	0.7
71.01384	1.0
85.02967	1.6
98.28967	0.9
99.08134	1.2
139.04126	1.0
143.07146	4.0
144.07515	1.2
149.02443	1.1
174.05589	1.5
253.07397	2.3
268.09967	1.7
269.06924	0.9
270.08698	1.6
279.05301	9.2
280.06174	24.5
282.08047	0.9
284.09354	4.4
294.07779	23.2
294.10876	1.3
295.08594	1.4
296.06046	3.0
296.09335	4.4
297.06558	9.2
309.10181	1.3
310.10941	3.5
311.08148	5.3
312.08813	49.2
326.10364	43.0
327.11206	20.7
328.77240	1.1
342.13541	100.0
342.19345	9.3
342.23029	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54749	0.5
59.01376	0.9
64.75137	0.5
65.22743	0.6
65.46643	0.6
76.47217	0.6
82.47925	0.8
96.81333	0.6
107.05019	2.6
109.02968	1.1
121.02945	3.4
122.03732	1.6
123.04506	5.0
132.56589	0.6
133.02922	1.1
134.03732	0.8
135.04527	20.9
136.05223	0.7
136.73035	0.7
137.02419	1.3
137.06078	6.5
146.03786	1.6
147.04080	2.9
148.53998	0.7
149.06134	1.0
161.02457	11.9
162.03242	6.2
163.04057	1.0
163.06340	5.1
164.04790	1.1
165.05099	1.5
165.07945	16.4
175.04059	0.8
176.03426	1.1
177.04288	0.8
177.07999	1.4
178.08694	3.3
179.07172	2.7
180.07655	5.0
180.10309	15.3
189.04375	2.7
190.05096	12.0
191.05847	5.0
192.06679	2.7
202.81503	0.7
204.06694	4.4
206.08217	0.8
212.04776	3.8
225.08199	0.7
239.07179	3.2
239.09589	2.5
241.05090	19.8
254.05855	4.3
254.11900	2.6
255.06673	4.1
267.06671	1.4
269.04611	1.5
270.11374	4.5
281.04596	0.8
282.90826	0.7
283.06122	3.6
283.09268	0.7
284.06848	3.7
284.09662	1.2
285.10001	2.8
294.07779	1.2
296.06943	2.7
297.07706	0.8
299.09048	1.2
300.12390	3.3
309.10019	1.5
310.10873	2.8
311.09320	6.9
312.08780	2.6
327.11087	7.7
341.99988	1.3
342.13486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.135
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
61.16591	0.7
66.82781	0.6
70.43512	0.8
80.35448	0.8
134.03722	5.1
135.04527	15.3
147.04485	3.9
148.05302	71.8
149.04892	1.1
149.06094	4.6
149.67468	0.8
152.67249	0.9
162.06909	7.1
167.97786	0.8
173.53851	0.9
176.03539	4.7
177.04305	4.6
178.05096	48.0
178.06580	1.7
190.05116	20.1
191.05968	1.2
192.06691	4.0
204.06642	1.5
283.09940	1.0
312.09238	1.0
326.10352	1.6
327.11273	10.0
342.13522	100.0
347.35629	0.8
359.06323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
71.01358	1.2
73.95665	0.7
76.54359	0.7
89.02441	4.4
100.04172	0.8
101.02418	1.2
107.04966	1.3
109.02932	1.1
113.02451	1.0
115.11791	0.7
121.02939	1.8
122.03750	1.8
123.04540	5.1
133.02953	1.3
135.04524	22.7
136.05298	1.0
137.06062	7.2
149.06044	3.6
161.02431	14.7
162.03215	7.5
163.04048	1.3
163.06369	6.3
165.01947	1.0
165.07941	15.7
178.08696	1.2
179.03506	1.7
180.03882	1.4
180.10320	17.9
189.04283	4.7
190.05119	11.0
191.05850	5.7
192.06715	4.8
204.06703	4.2
205.07539	1.0
206.08237	1.7
212.04825	3.2
227.07059	1.5
239.07086	3.2
239.09351	1.8
240.27202	0.8
241.05069	22.9
242.06081	0.9
254.05919	4.5
254.11674	1.3
255.06642	3.4
267.06625	1.3
269.04565	3.3
269.08176	1.4
270.11481	4.6
279.06781	0.9
282.12613	4.0
283.06168	3.7
284.06839	5.0
284.09641	1.1
285.10126	1.6
294.07886	1.2
296.06833	1.1
298.11090	0.9
299.09116	3.0
300.12424	1.5
309.09915	1.3
310.10901	1.6
311.09302	7.6
312.08774	3.2
327.11093	8.5
341.12991	0.9
342.13507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
59.02341	0.6
65.66527	0.6
66.71523	0.7
78.57750	0.6
84.17255	0.7
88.30997	0.6
89.02431	1.3
89.90252	0.7
92.22493	0.8
107.05031	1.5
121.02946	1.5
122.03703	2.8
123.04492	5.0
123.18640	0.7
133.02980	1.5
134.03598	0.8
135.04524	20.6
137.06067	7.0
149.02466	0.9
149.06004	1.3
161.02467	18.9
162.02896	10.1
163.04012	1.6
163.06384	5.9
164.04973	0.8
165.07950	16.6
175.04059	1.2
175.61411	0.7
177.07979	0.9
177.69315	0.7
178.08696	1.8
180.10330	18.3
185.78654	0.8
189.04350	3.5
190.05113	12.5
191.05901	4.8
192.06825	1.2
204.06764	5.6
205.07680	0.9
206.08203	1.1
212.04784	3.0
222.83464	0.7
239.07204	1.5
239.09500	3.6
241.05112	20.4
242.05797	1.2
253.04985	1.0
254.05820	3.8
254.11815	1.2
255.06549	4.2
267.06787	1.2
268.07425	1.1
269.04602	1.7
269.08145	0.9
270.11340	4.1
279.06488	1.3
281.04462	0.9
283.06128	3.1
284.06851	4.8
285.09961	1.0
294.07742	1.0
296.06805	3.1
297.07687	1.4
299.09207	2.8
300.12277	1.6
310.11035	1.6
311.09235	8.0
312.08838	3.3
326.10596	1.0
327.11121	7.2
342.09418	6.2
342.13489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39434	0.8
55.52184	0.8
58.02968	3.7
62.99755	0.8
66.13592	0.7
67.08719	0.7
68.22678	0.7
125.09719	30.0
127.11309	6.8
140.10812	4.6
155.10780	1.5
156.10297	5.1
157.12334	39.1
171.13947	1.3
173.11833	24.3
173.20682	0.9
184.09756	7.6
186.11363	100.0
202.10869	34.0
342.22913	49.6
342.26248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	7.9
77.86554	1.6
90.90872	1.6
95.43477	1.9
123.99606	1.9
135.28516	1.8
139.11308	12.1
143.10773	100.0
154.12389	9.9
154.58318	1.7
155.10754	2.6
157.12344	25.5
159.10277	14.9
170.11858	18.5
171.13899	8.5
183.10280	7.2
198.11357	19.9
200.12926	45.9
216.12439	63.3
230.68770	1.7
332.56650	1.8
342.22916	62.8
342.26816	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55902	0.6
59.01054	0.5
59.01400	0.7
67.07818	0.6
67.66455	0.6
82.09766	0.7
90.02678	0.7
98.72907	0.7
111.08148	24.4
126.19675	0.8
128.10767	1.3
141.12852	3.4
151.08643	0.7
157.89449	0.7
169.12367	1.3
172.09798	100.0
187.13416	22.4
250.88261	0.7
253.34682	0.8
342.22897	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65718	0.7
80.51518	0.7
81.00182	0.7
85.09460	0.8
85.23082	0.8
104.00043	0.7
105.01914	1.2
108.02677	0.7
236.06151	0.8
253.21754	17.5
254.22096	100.0
280.27295	32.5
324.26334	9.4
342.23642	5.2
342.27313	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
60.04554	11.1
66.55830	1.7
70.02973	3.3
71.01384	1.6
73.02935	12.4
86.02467	7.0
88.04026	45.6
98.03727	6.3
100.04038	42.5
102.73106	1.5
103.17540	1.2
109.06362	1.3
223.20731	9.5
230.32384	1.5
253.21704	12.8
265.21637	10.0
276.23254	1.5
282.24515	2.1
298.25085	1.7
306.24384	8.1
310.24042	3.4
314.27109	5.8
324.25534	3.3
342.26547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2652
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
50.87877	1.3
51.33671	0.9
58.00587	1.7
59.01369	2.0
60.04538	11.3
68.54436	1.2
69.03462	2.2
70.02967	5.5
73.02934	10.2
86.02458	5.4
88.04035	52.6
88.48869	1.3
90.78851	1.5
98.03699	5.6
100.03437	1.7
100.04046	33.6
106.33673	1.4
138.42888	1.3
139.11354	1.4
203.20464	1.3
223.20700	10.7
235.20432	2.0
253.21770	9.2
265.21628	9.8
306.24484	7.3
310.24109	1.6
314.27045	6.3
342.26529	100.0
356.15198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51586	0.7
59.37564	0.8
72.04546	6.5
74.02468	100.0
78.34528	0.7
104.92666	0.8
106.66297	0.9
116.03524	24.6
207.32600	1.0
241.55690	0.8
274.49661	0.8
276.92642	0.8
280.26602	1.2
324.25516	1.3
342.26508	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2653
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
63.59855	1.3
74.02473	63.1
81.08557	1.4
95.24918	1.3
97.06590	1.3
104.03543	14.7
109.15780	1.5
116.56808	1.5
131.75504	1.4
237.22243	15.8
249.53836	1.7
266.24936	2.5
268.26520	7.0
280.26520	30.2
294.24356	22.2
301.82596	1.7
312.25543	14.2
336.05115	1.7
342.26547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
59.31347	0.7
70.02972	3.5
71.01372	0.8
71.02504	2.7
72.00906	1.0
72.63180	0.6
73.02966	2.5
75.80598	0.5
87.05647	0.5
88.79889	0.7
93.03433	7.2
95.02515	4.6
99.00834	1.0
111.01995	2.6
111.04513	3.0
113.03563	38.8
114.01957	22.1
131.04614	100.0
132.53792	0.7
133.01457	1.2
134.66052	0.6
137.02483	2.8
143.03430	0.7
151.00627	0.5
155.03471	0.9
173.04544	10.5
178.21701	0.6
223.54015	0.6
281.74295	0.7
288.03299	0.7
334.78677	0.6
343.05536	10.3
343.11526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
72.92213	0.8
78.95902	100.0
85.02892	0.8
89.02421	1.3
96.96976	5.7
100.31085	0.8
110.32423	0.7
119.05003	1.4
137.02457	1.0
163.03952	1.7
180.06570	0.8
181.05011	5.6
181.06937	1.6
244.54216	0.7
341.76318	0.8
343.07910	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.08
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26784	0.7
59.01389	1.4
61.60793	0.7
63.52715	0.7
64.77525	0.6
71.01408	0.7
72.99297	1.6
75.00868	0.7
78.95902	100.0
85.02949	1.1
93.03472	1.8
96.96980	6.8
99.00858	0.9
108.79089	0.7
113.02402	1.0
119.05044	6.7
125.06084	0.9
135.04500	6.8
159.86148	0.7
163.04024	16.8
169.05052	8.0
181.05075	50.8
185.26466	0.7
221.86050	0.8
253.07222	1.4
274.54828	0.8
343.07248	36.5
343.11029	11.2
344.70337	0.8
363.71011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52312	0.6
66.91579	0.6
69.09504	0.5
70.55730	0.6
72.71523	0.5
78.95905	100.0
96.96947	5.3
109.37645	0.5
109.44639	0.6
143.69702	0.6
284.88568	0.6
320.35544	0.7
343.08008	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	Hyperxanthone A
Peak:m/z	Relative Intensity
51.44779	0.3
51.75756	0.4
57.53515	0.4
58.21660	0.5
61.74959	0.5
68.63767	0.5
70.82035	0.4
72.05177	0.5
79.93134	0.4
88.25806	0.5
105.28901	0.5
115.07732	2.5
172.09804	1.2
173.10147	0.8
183.14011	2.1
198.13466	0.6
199.93256	0.6
256.03720	7.2
271.02591	2.7
284.03214	4.2
295.02475	6.1
296.03232	2.0
297.07413	0.9
300.02670	3.8
310.04956	1.2
325.07202	100.0
343.08237	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59293	0.9
59.01374	4.7
68.59019	0.7
71.01379	3.8
74.98540	0.7
92.22427	1.2
93.03458	3.7
101.02408	1.1
103.15542	0.8
108.02173	17.5
109.02948	30.2
112.06174	0.9
115.00362	5.0
121.02957	1.7
122.03699	10.9
122.06124	1.0
123.04474	1.9
128.62241	0.9
133.06602	1.4
150.03215	1.2
160.04030	1.2
161.04826	1.3
162.98268	1.0
181.08716	1.5
189.04292	3.6
213.09308	1.3
222.30528	0.9
226.06360	22.7
227.07166	16.6
237.09177	1.3
239.12877	1.5
241.89314	1.0
245.76190	0.8
253.08687	1.5
255.10287	100.0
267.11392	1.1
311.09814	1.1
328.42432	0.9
343.08322	29.0
343.13095	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Xanthomicrol
Peak:m/z	Relative Intensity
57.59293	0.9
59.01374	4.7
68.59019	0.7
71.01379	3.8
74.98540	0.7
92.22427	1.2
93.03458	3.7
101.02408	1.1
103.15542	0.8
108.02173	17.5
109.02948	30.2
112.06174	0.9
115.00362	5.0
121.02957	1.7
122.03699	10.9
122.06124	1.0
123.04474	1.9
128.62241	0.9
133.06602	1.4
150.03215	1.2
160.04030	1.2
161.04826	1.3
162.98268	1.0
181.08716	1.5
189.04292	3.6
213.09308	1.3
222.30528	0.9
226.06360	22.7
227.07166	16.6
237.09177	1.3
239.12877	1.5
241.89314	1.0
245.76190	0.8
253.08687	1.5
255.10287	100.0
267.11392	1.1
311.09814	1.1
328.42432	0.9
343.08322	29.0
343.13095	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
56.16109	0.8
59.05017	0.9
67.57490	0.9
69.88978	1.0
83.01387	52.7
145.84186	1.1
215.07347	1.3
231.06639	38.7
255.06654	2.1
257.08347	1.3
259.06149	35.0
284.07150	1.1
286.04660	1.8
299.09290	6.3
301.07037	1.5
313.03653	23.7
328.02029	2.2
328.05939	71.7
343.08249	100.0
343.28473	1.2
366.24701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Penduletin
Peak:m/z	Relative Intensity
57.97728	0.9
58.14288	1.0
59.01383	52.2
60.37773	1.1
71.01390	2.6
78.95892	10.3
89.02435	1.4
93.03444	1.5
96.72371	1.2
108.02184	19.2
109.02943	32.6
115.00356	2.9
119.42874	1.4
122.03718	13.0
123.04475	1.6
145.06544	2.0
147.04527	2.5
149.88690	1.2
181.05093	4.9
183.51277	1.3
225.51041	1.3
226.06404	24.6
227.07146	22.4
253.08638	2.2
255.10295	100.0
282.07532	1.8
283.11795	2.0
340.03470	1.4
343.08081	32.1
343.14612	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0828
Annotation	Penduletin
Peak:m/z	Relative Intensity
50.38594	0.6
56.63535	0.6
59.01369	1.0
62.26701	0.6
71.01380	3.2
89.72771	0.7
91.18435	0.7
93.03448	4.1
108.02171	19.7
109.02953	31.3
113.02454	0.8
115.00352	3.1
121.02980	0.9
122.03738	12.8
123.04514	3.3
131.05049	0.8
133.06638	1.0
135.04558	0.8
137.02496	0.8
137.06058	1.5
145.06569	1.3
147.04520	0.8
148.05383	1.1
155.60902	0.7
202.32234	0.9
213.09207	1.0
226.06360	21.6
227.07205	18.3
237.09175	0.9
239.07181	1.6
253.08762	3.2
255.10289	100.0
299.09421	1.0
343.08240	32.0
343.12231	1.3
358.61279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0939
Annotation	Griseolutein B
Peak:m/z	Relative Intensity
51.95537	0.7
59.01382	23.1
62.12787	0.8
67.13397	0.8
70.86731	0.9
71.01357	1.5
72.99298	0.8
85.02940	1.5
89.02404	0.9
90.20225	1.0
95.05044	0.9
101.02421	0.9
103.56450	0.8
121.06606	1.0
139.04027	1.0
147.03201	1.1
148.04097	1.1
152.73399	1.0
161.08339	0.8
171.10265	2.2
175.02744	30.9
176.03551	9.5
209.07169	4.4
211.13354	2.0
221.11925	0.9
227.04674	1.2
240.06630	1.7
243.07695	1.2
253.06190	1.2
255.04031	6.5
255.07742	3.5
256.05011	10.9
270.06445	1.5
271.07269	100.0
283.07269	21.6
297.08850	1.1
299.10373	5.8
343.09402	95.6
343.13214	3.8
343.21216	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70681	1.1
57.03453	1.8
59.01384	28.5
60.62313	1.1
69.03445	1.4
71.01382	7.9
71.67220	1.0
73.47912	1.0
78.95908	6.4
85.02931	8.9
87.04503	20.6
89.02441	2.9
95.05045	1.4
97.02949	4.7
99.00889	2.0
101.02454	1.7
111.00874	7.2
111.04513	2.7
113.02440	88.6
114.80215	1.2
123.04522	2.8
125.02456	27.0
125.06010	2.2
127.04012	5.5
137.06068	1.7
139.04004	17.4
141.05591	5.1
151.03975	6.9
151.05051	1.3
153.05579	1.5
159.06641	1.7
163.04004	1.6
169.05032	13.3
181.05080	8.0
181.68906	1.5
193.05112	1.5
199.06143	8.2
201.89478	1.3
211.06104	12.8
213.07704	7.6
245.08295	1.6
260.20111	1.4
263.09390	1.3
281.10309	2.4
299.11411	27.4
299.16153	4.1
300.10242	1.2
301.94388	1.3
338.64035	1.3
343.10379	100.0
343.15005	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.70681	1.1
57.03453	1.8
59.01384	28.5
60.62313	1.1
69.03445	1.4
71.01382	7.9
71.67220	1.0
73.47912	1.0
78.95908	6.4
85.02931	8.9
87.04503	20.6
89.02441	2.9
95.05045	1.4
97.02949	4.7
99.00889	2.0
101.02454	1.7
111.00874	7.2
111.04513	2.7
113.02440	88.6
114.80215	1.2
123.04522	2.8
125.02456	27.0
125.06010	2.2
127.04012	5.5
137.06068	1.7
139.04004	17.4
141.05591	5.1
151.03975	6.9
151.05051	1.3
153.05579	1.5
159.06641	1.7
163.04004	1.6
169.05032	13.3
181.05080	8.0
181.68906	1.5
193.05112	1.5
199.06143	8.2
201.89478	1.3
211.06104	12.8
213.07704	7.6
245.08295	1.6
260.20111	1.4
263.09390	1.3
281.10309	2.4
299.11411	27.4
299.16153	4.1
300.10242	1.2
301.94388	1.3
338.64035	1.3
343.10379	100.0
343.15005	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49448	0.4
59.01383	100.0
60.56833	0.5
71.01383	3.7
72.78217	0.5
74.64732	0.5
85.02998	0.6
89.02446	6.8
101.02448	1.3
104.91146	0.5
113.02434	1.3
115.70167	0.6
119.03515	1.2
141.27016	0.5
179.05602	2.4
281.09558	0.6
343.13788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.03570	1.8
56.24058	1.8
59.01374	14.8
66.92947	2.0
71.01371	10.2
71.11331	2.0
85.02940	5.1
85.71124	2.0
89.02394	2.2
96.04523	2.5
97.02943	100.0
100.81673	2.1
108.04551	12.7
108.07763	2.2
109.02928	15.4
113.02534	2.3
122.03677	2.0
123.04514	10.4
130.08733	27.5
137.02443	22.5
153.09261	4.1
155.11981	3.1
156.06686	10.8
163.07664	24.9
165.05550	8.6
172.07991	8.6
180.07907	40.5
181.01494	4.5
181.08730	76.1
199.10916	3.3
221.12984	9.2
246.97655	2.3
299.10553	3.5
343.09750	56.9
343.14038	23.4
343.21179	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Iryelliptin B
Peak:m/z	Relative Intensity
51.04842	0.8
54.71144	0.9
62.69416	1.0
71.21057	1.0
72.99286	1.8
100.23559	1.1
131.30899	1.2
146.03729	16.5
147.04546	10.8
153.12802	1.4
159.04547	1.9
171.10214	1.5
172.09828	4.5
173.10132	2.3
174.03206	17.3
175.04005	4.7
176.04800	23.2
188.04723	1.3
197.11885	1.4
202.09984	1.7
208.03761	2.6
211.13344	1.6
215.12857	5.6
217.88036	1.2
254.27090	1.2
257.45663	1.1
269.15540	19.6
290.03864	1.2
297.14972	100.0
299.13840	1.5
299.16537	44.1
343.15561	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1554
Annotation	Iryelliptin B
Peak:m/z	Relative Intensity
51.10559	0.4
53.89968	0.4
54.37209	0.5
59.74465	0.5
65.63740	0.5
71.32480	0.5
72.98467	0.7
72.99303	1.2
88.70406	0.5
91.09277	0.5
112.68561	0.5
118.99824	0.6
129.09216	100.0
146.03741	8.3
147.04546	6.3
159.04411	0.6
161.06180	0.6
169.12350	65.2
174.03207	8.5
175.03969	0.7
176.04774	10.1
183.18040	0.5
188.45218	0.6
208.03802	2.0
213.11342	4.2
269.15436	9.4
281.15860	0.7
293.21170	0.6
297.14990	44.4
299.16562	17.6
343.15561	42.1
343.20630	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93200	2.2
62.28473	1.7
65.03969	4.3
71.05016	9.2
76.56645	1.9
83.05016	2.2
95.05025	2.1
97.06558	14.5
107.17767	2.5
111.08175	2.0
121.06572	22.2
125.09676	15.2
137.09727	2.7
160.08885	7.3
171.10266	9.1
185.08122	2.1
185.11827	22.4
187.15028	2.2
201.11314	4.7
209.11790	12.8
211.13396	13.0
213.11308	3.0
235.13387	16.7
289.18079	8.7
299.16943	3.4
299.20145	35.0
307.15662	4.0
307.19186	100.0
343.21234	21.3
343.24814	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
65.03981	3.0
71.05022	4.4
72.99315	11.9
81.65148	2.6
96.46101	3.0
97.06598	7.1
121.06567	5.9
122.21107	2.9
125.09698	15.2
127.11324	3.4
129.09216	6.9
137.09625	3.2
141.09186	11.7
153.09224	5.5
154.25555	2.9
155.10828	6.1
160.05325	2.9
171.10258	37.0
185.11847	14.7
187.09770	3.6
193.53795	2.9
197.11884	6.3
201.11282	36.1
209.11893	18.0
213.11392	6.9
215.10817	3.0
225.11398	3.5
231.98531	2.9
265.18011	3.9
276.64761	3.0
279.19843	4.2
281.21191	6.0
286.66919	3.5
289.18204	6.4
299.16379	3.7
307.19168	60.4
308.96609	3.2
315.15610	3.8
324.45724	3.7
325.20297	6.2
343.17252	5.9
343.21295	100.0
343.25043	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93020	36.3
59.01375	49.4
63.96560	38.9
72.71521	35.7
79.22945	39.8
87.25087	39.6
89.08434	43.9
108.67914	49.2
115.07608	74.8
159.22118	40.1
164.72673	39.2
183.14003	92.4
215.47009	48.6
281.19232	55.9
289.18390	61.5
307.19208	100.0
343.21530	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1917
Annotation	Thc-11-oic acid
Peak:m/z	Relative Intensity
56.05949	3.3
59.01381	7.2
63.66309	3.2
83.04991	4.6
95.05022	7.9
96.84385	4.0
97.06561	4.7
114.25899	4.2
116.18100	4.5
117.37283	5.0
121.06586	9.5
125.09732	14.2
127.77992	4.6
128.50890	3.8
131.09048	3.8
137.09717	19.0
142.04655	4.1
160.08907	5.8
181.32767	4.6
185.11806	10.1
209.11786	7.9
213.11342	9.0
253.19583	7.4
271.20776	6.2
281.19077	6.7
299.20224	100.0
307.19125	45.9
319.74393	4.3
343.21039	15.8
343.24802	6.7
347.08179	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.58932	1.8
58.41205	2.1
59.92188	1.6
83.05020	3.9
97.06606	8.0
106.65585	2.3
123.08129	2.4
125.09718	60.2
127.11264	8.6
141.09221	62.2
141.17348	1.8
157.08711	8.0
157.12343	29.7
159.06561	3.0
169.08746	3.0
171.10275	69.5
171.13911	66.7
173.11850	37.0
185.08211	12.7
187.09764	100.0
187.11446	4.1
203.09268	37.4
263.19223	2.1
281.24899	3.5
293.21356	2.5
311.22345	9.6
325.24850	3.0
330.74228	2.5
343.21252	73.4
343.24954	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29159	0.6
56.16665	0.5
69.28533	0.6
72.99305	0.8
97.10918	0.7
129.09212	100.0
139.11301	1.4
146.03703	5.4
147.04523	3.2
169.12335	63.7
171.10202	1.0
174.03270	5.1
176.04810	5.5
183.10286	1.0
201.11322	2.7
208.03619	0.7
213.11319	4.1
217.22345	0.6
269.15582	6.1
297.14969	29.9
299.16492	10.7
343.15500	28.6
343.21298	7.2
347.53397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30170	0.6
56.70051	0.6
81.03465	1.1
81.31099	0.8
83.05011	9.6
89.43729	0.8
97.06593	0.9
111.08154	1.0
115.07641	70.6
119.24873	0.8
123.38135	0.9
145.05009	1.3
157.12294	1.0
165.12856	17.5
183.13919	20.4
205.56822	0.8
209.11850	17.8
211.13452	0.9
215.16589	5.7
227.12907	100.0
343.21194	17.9
343.24802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54177	0.5
54.52774	0.4
57.03438	2.2
92.06771	0.5
97.06576	6.7
123.08165	2.8
125.09708	100.0
127.11301	1.4
134.74028	0.6
138.81725	0.6
143.10815	1.1
165.11441	0.5
169.08691	3.9
171.10274	8.8
173.11856	2.8
187.09760	86.5
229.12325	1.1
319.67926	0.6
337.57483	0.7
343.21259	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.213
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.77149	0.6
57.03445	0.7
59.01374	1.6
59.57026	0.6
59.91087	0.6
68.20396	0.6
69.03480	0.8
78.93663	0.7
83.05026	3.1
83.49268	0.6
84.02163	2.7
85.02973	1.2
87.04495	1.4
94.46059	0.6
95.05014	5.7
97.06594	1.3
112.31428	0.7
113.06061	1.2
115.07618	0.7
123.08137	1.1
125.09701	0.8
135.08157	3.4
153.64526	0.7
165.12833	0.7
171.10268	8.8
173.08224	1.1
177.12863	0.7
183.13902	0.8
185.11868	0.8
185.79381	0.7
189.82083	0.7
201.11360	4.6
209.11815	10.6
211.13423	16.1
227.09169	0.8
229.14433	23.3
231.85547	0.7
237.14966	1.2
239.03503	0.8
249.14920	0.9
254.05847	1.1
270.69846	0.8
310.04901	1.4
325.07257	3.5
325.20154	1.3
343.08234	2.7
343.21280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.213
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.18634	0.9
53.15221	0.9
69.03505	0.9
74.57996	1.1
84.76868	1.2
92.23080	1.7
97.06567	4.8
104.27130	1.0
123.08073	3.2
125.09722	100.0
129.09129	1.3
155.10728	1.9
169.08707	2.2
173.11827	33.7
187.09770	20.0
198.12447	1.2
208.94063	1.1
211.20403	1.2
214.14478	4.9
215.14780	7.6
269.07455	1.2
271.22763	2.9
271.75259	1.2
281.21237	6.9
321.49765	1.4
325.19952	5.6
325.23569	1.4
342.10162	1.2
343.21246	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62893	0.5
59.01382	4.4
66.19815	0.6
67.64919	0.6
71.01366	0.9
83.05032	0.8
85.02928	0.6
111.08151	29.7
120.44947	0.6
128.10818	2.8
133.01892	0.8
136.89862	0.7
172.09796	100.0
177.85956	0.6
236.17262	0.7
294.25290	0.7
331.87695	0.8
343.21558	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62893	0.5
59.01382	4.4
66.19815	0.6
67.64919	0.6
71.01366	0.9
83.05032	0.8
85.02928	0.6
111.08151	29.7
120.44947	0.6
128.10818	2.8
133.01892	0.8
136.89862	0.7
172.09796	100.0
177.85956	0.6
236.17262	0.7
294.25290	0.7
331.87695	0.8
343.21558	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75560	0.3
65.79736	0.4
72.99308	17.3
75.00868	14.6
80.46815	0.4
105.01952	2.2
113.04904	0.4
126.23260	0.4
141.44905	0.4
143.48187	0.4
148.56439	0.4
209.72617	0.4
255.23322	100.0
343.24921	4.5
343.28555	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96748	1.4
59.01373	1.4
66.59588	1.2
72.54311	1.2
109.06583	1.5
110.25667	1.6
113.09719	12.0
114.78964	1.5
125.09689	7.4
127.11243	5.5
129.09189	1.8
141.09195	6.4
153.12791	9.5
155.10803	1.8
171.08875	1.9
171.10281	31.9
181.05003	1.7
183.13902	8.2
185.11697	4.6
196.50749	1.4
201.11340	16.2
209.11810	7.3
211.13422	46.7
212.68828	1.6
213.11310	5.6
225.11206	2.1
229.14510	19.2
267.19604	7.9
298.45782	1.5
307.19070	7.2
319.83713	1.5
325.20096	5.8
343.21152	16.9
343.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49481	0.7
59.01376	1.3
67.53696	0.7
70.74178	0.6
75.16775	0.7
79.25868	0.7
84.23040	0.8
99.08142	3.4
107.89256	0.7
116.91740	0.6
121.10227	7.1
125.09712	3.2
127.11295	1.1
129.09219	1.0
137.09694	1.6
139.11241	1.1
153.09254	2.9
155.10747	1.2
155.52727	0.8
169.12401	1.1
171.10272	60.3
183.13846	0.8
185.11684	1.0
193.12344	6.6
199.13399	4.8
201.11333	4.0
211.13361	4.0
213.11401	1.5
225.14960	12.1
243.12311	1.1
243.15929	3.0
265.18307	0.8
281.21292	1.4
293.21460	1.8
307.19202	1.9
325.19843	0.9
343.21210	12.0
343.24902	100.0
357.83514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11770	0.7
55.82375	0.8
56.82697	0.6
75.00867	1.4
87.00866	46.2
88.81983	0.8
105.01926	82.9
131.31244	0.9
221.38556	0.9
255.23314	100.0
343.20886	1.8
343.24884	30.7
343.28622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.10866	0.5
57.02715	0.5
59.01373	0.9
69.03433	0.8
72.64938	0.5
79.38547	0.5
83.05009	0.9
84.10972	0.6
97.06547	0.8
99.08143	8.2
113.83997	0.6
115.07645	3.1
116.08029	2.0
121.10233	2.5
125.09698	2.8
127.11270	0.9
137.09689	1.1
158.05762	0.6
165.12871	0.7
165.34592	0.6
171.10277	24.1
187.11702	0.7
193.12367	19.6
197.15431	0.6
201.11185	1.0
202.34001	0.8
211.13380	4.3
225.14992	27.7
243.16026	7.7
269.65158	0.7
293.21228	2.5
299.16571	3.9
312.83786	0.7
343.21509	4.4
343.24927	100.0
369.62851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50859	0.7
77.93862	0.7
83.95172	1.0
83.98329	0.8
97.06565	0.9
104.11717	0.8
119.08666	1.5
119.24637	0.8
121.10230	9.1
125.09764	1.2
127.11265	1.1
137.09738	3.4
139.11296	3.4
171.10272	80.3
211.13371	1.2
213.59099	1.0
268.43100	0.9
271.22812	1.8
289.18127	3.6
301.87018	0.8
305.17490	1.4
343.24930	100.0
357.64114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2855
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.93789	0.3
70.67802	0.3
71.01344	0.4
72.99302	35.8
73.35302	0.4
75.00864	28.5
80.57764	0.4
87.00852	0.5
93.33628	0.4
94.54170	0.4
105.01921	1.0
111.75209	0.4
127.07323	0.4
133.36707	0.4
219.09132	0.5
255.23314	88.0
266.28452	0.4
343.25098	5.1
343.28552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33638	1.7
57.38217	1.9
59.01364	2.2
78.51993	1.9
87.92529	4.8
101.34259	2.2
103.92048	16.2
104.92844	17.6
108.04552	4.3
114.01948	5.1
119.75018	2.4
122.38409	1.9
123.37708	2.3
151.05139	23.8
156.98317	2.9
158.96245	15.3
161.91171	2.5
174.94127	2.4
203.96085	4.1
212.02544	11.3
226.97670	9.8
227.98393	12.6
245.99440	16.1
254.01053	19.6
256.01450	15.6
300.00580	27.1
343.99619	100.0
344.10999	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73331	2.5
104.92805	4.1
114.01984	3.0
151.05119	12.9
158.97304	5.6
202.96341	5.8
212.00127	2.7
216.97871	3.7
226.97758	5.8
228.03093	6.8
245.99811	2.8
254.01064	46.2
256.01587	4.4
283.98044	2.8
286.00098	13.2
300.00464	4.3
325.99496	2.7
344.00394	100.0
344.11469	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73331	2.5
104.92805	4.1
114.01984	3.0
151.05119	12.9
158.97304	5.6
202.96341	5.8
212.00127	2.7
216.97871	3.7
226.97758	5.8
228.03093	6.8
245.99811	2.8
254.01064	46.2
256.01587	4.4
283.98044	2.8
286.00098	13.2
300.00464	4.3
325.99496	2.7
344.00394	100.0
344.11469	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02769	0.8
53.75782	0.7
54.34484	0.7
59.01383	1.6
60.05224	0.8
70.02977	1.0
72.99304	6.1
75.00863	1.5
88.16110	1.0
93.03452	5.5
94.03761	1.4
96.96944	1.5
105.01907	1.8
108.04552	8.8
109.04092	1.5
114.01953	7.9
119.05019	9.8
120.05351	12.4
135.04524	7.6
136.04822	10.0
146.41878	0.9
151.05107	34.5
163.02783	1.4
163.04015	19.0
164.04337	31.9
169.02539	2.0
181.05057	66.9
182.05400	89.7
229.08278	2.2
242.49657	1.2
264.41870	1.1
314.44769	1.3
344.10724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02723	0.8
53.65602	0.8
59.01381	1.3
61.38296	0.7
63.33195	0.8
72.99310	8.8
75.00855	1.3
88.24164	0.8
93.03433	5.2
94.03780	3.9
105.01933	5.2
108.04534	1.8
111.38874	0.9
119.04988	9.0
120.04532	1.3
120.05339	11.3
135.04524	8.2
136.04863	12.3
137.06102	0.9
138.03253	1.0
146.84921	1.1
151.05122	7.5
163.03998	27.0
164.04359	34.0
169.02560	4.0
175.50720	0.9
181.05063	72.2
182.05409	100.0
221.24361	0.9
256.01398	1.4
300.00562	1.6
303.58347	0.9
337.71481	1.0
343.99536	6.9
344.10706	99.9
355.36670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02723	0.8
53.65602	0.8
59.01381	1.3
61.38296	0.7
63.33195	0.8
72.99310	8.8
75.00855	1.3
88.24164	0.8
93.03433	5.2
94.03780	3.9
105.01933	5.2
108.04534	1.8
111.38874	0.9
119.04988	9.0
120.04532	1.3
120.05339	11.3
135.04524	8.2
136.04863	12.3
137.06102	0.9
138.03253	1.0
146.84921	1.1
151.05122	7.5
163.03998	27.0
164.04359	34.0
169.02560	4.0
175.50720	0.9
181.05063	72.2
182.05409	100.0
221.24361	0.9
256.01398	1.4
300.00562	1.6
303.58347	0.9
337.71481	1.0
343.99536	6.9
344.10706	99.9
355.36670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15604	0.9
54.30077	1.1
55.77255	1.1
61.21865	1.0
65.25096	1.3
68.18457	1.1
71.01380	7.6
71.30488	1.1
72.99298	8.0
75.00859	1.5
76.15029	1.1
77.37020	1.1
88.04028	11.1
93.03455	5.8
94.03834	1.9
94.41521	1.2
103.92041	1.5
104.92785	2.2
113.11118	1.2
115.00368	6.5
115.08741	1.7
119.04990	10.8
120.05371	9.0
135.04552	12.2
136.04840	11.6
157.13480	1.3
158.96257	2.1
163.04010	21.9
164.04358	36.2
177.93848	1.2
179.03510	1.3
180.03896	1.3
181.05083	74.1
182.05420	100.0
211.14471	2.6
226.97672	3.0
227.98361	2.1
228.17166	29.4
229.15575	4.7
245.99463	2.0
256.01480	5.7
275.23206	1.4
300.00464	6.0
300.19208	2.3
309.84775	1.1
343.99539	17.9
344.10736	99.8
344.18109	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14028	1.7
54.51974	1.7
59.01379	8.2
60.45558	1.6
64.10956	1.9
67.63950	2.1
86.39152	2.1
88.93659	1.9
90.55015	1.8
93.21571	2.2
107.91821	2.3
120.24004	1.9
156.11798	2.4
166.14961	2.0
167.01822	2.2
169.12369	2.7
171.10321	2.7
191.14523	3.4
199.13544	1.9
202.10887	3.0
209.13580	4.1
209.15498	87.4
225.11461	2.5
235.13423	4.8
253.14474	100.0
255.64476	2.0
282.13455	25.8
297.13443	45.5
326.20883	2.5
344.13290	18.9
344.21619	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22177	62.3
68.89159	67.7
69.20173	69.6
91.01237	73.4
119.31631	76.0
127.30173	80.7
168.79404	73.8
301.16541	100.0
364.09656	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
82.94700	10.5
83.44223	10.7
88.05028	11.2
97.58186	11.0
102.32830	11.6
125.09741	100.0
126.10039	72.9
143.10983	13.8
155.44734	12.4
169.67685	11.8
187.09671	89.1
188.10173	86.0
197.00208	13.0
248.70692	13.2
274.04883	12.9
344.21710	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77330	7.0
57.37527	8.8
58.96945	10.1
94.97267	9.3
101.63031	12.4
126.96776	9.1
129.09236	12.3
139.11266	64.1
140.11626	72.9
169.12376	10.3
174.09955	11.0
183.10281	36.8
184.10667	22.7
190.74551	14.4
201.11404	100.0
202.11621	79.6
272.19986	11.4
344.21652	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79412	1.1
52.34254	1.0
55.07343	1.2
57.58340	1.6
58.02963	1.4
59.01365	1.3
60.04534	6.7
62.39044	1.3
66.60404	1.1
70.02964	7.8
86.02472	6.0
88.04025	49.2
100.03422	2.8
100.04034	34.6
103.85983	1.4
151.00536	1.6
175.12186	1.4
186.03738	1.4
186.92085	1.5
189.09573	1.6
191.02516	1.4
225.22261	6.9
230.54247	1.3
253.21759	7.0
255.23286	19.2
267.23312	19.9
278.24963	1.8
284.25955	2.8
308.26135	7.7
312.25482	1.8
316.28705	2.2
344.28116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38794	0.8
57.02653	0.9
71.65857	0.8
71.66283	0.9
72.99301	29.4
73.99651	1.8
75.00864	25.5
76.01219	4.0
93.81784	0.9
96.04226	0.9
106.33469	0.9
114.49113	0.9
135.27902	0.9
177.38712	1.1
210.87573	1.0
344.28894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50190	0.3
58.40001	0.4
71.01379	7.7
72.99310	10.7
74.49600	0.4
75.00867	0.5
85.02899	0.4
87.00877	0.6
89.02438	1.8
91.02853	0.4
105.01923	0.9
111.48824	0.4
113.03580	0.6
114.01952	0.7
115.00367	36.7
122.25571	0.4
131.04620	4.2
133.01431	100.0
135.03024	0.8
152.95970	4.1
170.97028	3.3
173.04539	0.5
191.05624	12.2
205.43135	0.5
219.22272	0.4
344.85886	4.2
345.02124	0.8
345.09201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0618
Annotation	Gossypetin 3,3'-dimethyl ether
Peak:m/z	Relative Intensity
52.66939	1.1
54.91585	1.3
55.83712	1.3
59.01390	1.4
60.50197	1.4
74.81561	1.5
104.42263	1.5
124.67024	1.6
171.10266	1.9
256.97330	11.2
259.02411	2.2
271.99622	7.8
272.06882	5.7
275.05649	2.5
284.96759	6.2
287.01990	71.2
299.05682	2.0
299.99164	7.9
301.07083	1.8
315.01501	100.0
315.08920	2.8
330.03796	7.0
330.07584	2.3
345.06137	82.8
345.09937	19.7
345.14218	1.9
345.22726	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12076	0.9
53.59743	1.0
54.69151	1.0
59.01370	2.4
63.96238	1.3
71.76912	1.1
153.09090	1.4
169.02956	1.2
171.10278	2.8
182.03746	2.2
197.11806	1.4
199.04150	1.5
201.11331	2.6
210.03287	8.8
211.13336	2.0
226.02667	2.1
227.03545	2.0
229.14444	4.5
230.80026	1.4
254.02234	33.8
258.05334	11.7
269.04599	19.2
286.04868	100.0
291.19601	1.2
301.07239	41.4
301.10620	1.4
312.02856	2.8
327.05093	6.2
327.21960	1.3
345.06088	6.9
345.10065	2.3
345.19269	2.2
345.22836	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04978	2.1
59.01379	3.0
72.99302	16.9
75.51146	1.9
101.02394	2.8
109.02960	54.5
121.02934	4.6
123.04517	14.1
135.04536	100.0
139.04037	34.0
140.30571	2.3
145.02995	2.8
147.00877	3.9
147.04507	10.1
149.02454	19.1
150.03244	4.3
151.04021	17.5
161.02460	24.2
165.01917	13.3
170.94849	2.3
174.03181	5.3
179.03482	31.7
191.03526	14.9
220.05345	2.6
225.05649	4.9
227.07025	3.0
229.05048	4.8
237.05481	2.8
240.04321	5.1
241.05084	18.1
243.06686	17.3
253.05118	11.1
254.05768	3.3
255.06610	41.1
257.08240	11.1
265.05157	3.5
271.06232	28.1
283.06183	34.7
301.07227	46.7
317.06732	2.5
344.99673	3.4
345.05612	39.7
345.15500	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34191	1.1
71.01380	1.7
72.98896	1.7
72.99303	53.0
96.96001	1.7
115.63593	1.5
123.04512	25.7
131.35432	1.8
135.04535	33.1
139.03996	3.0
147.02980	2.5
151.00467	1.5
172.94951	1.5
179.03506	51.0
183.05620	1.6
197.04558	100.0
221.15649	1.6
345.54730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24001	2.0
55.21793	1.8
59.01380	8.3
67.88951	2.0
71.01375	2.7
72.99307	62.3
78.95921	3.0
87.00896	2.2
87.67583	1.9
91.11221	2.3
96.96953	13.6
111.04494	2.1
114.01978	8.0
115.02351	2.7
121.02972	3.5
123.04502	28.3
129.01906	4.6
131.04561	3.4
135.04526	40.7
139.04018	20.0
147.03023	3.0
147.06680	3.0
151.05144	12.2
152.05469	4.4
159.06749	2.2
165.01930	3.9
179.03513	45.7
183.03027	4.6
187.76840	2.4
197.04581	100.0
203.95753	2.1
210.08752	2.2
213.05238	4.5
246.44310	2.0
323.22198	2.2
345.08340	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0984
Annotation	2,8-Dihydroxy-3,9,10-trimethoxypterocarpan
Peak:m/z	Relative Intensity
55.07505	0.8
59.01372	1.3
69.08788	0.9
73.99548	0.9
79.50693	0.9
81.16155	1.0
101.02435	0.9
135.04597	1.5
171.10252	1.6
218.68539	1.3
229.05003	1.9
241.04942	1.1
247.66130	1.1
253.05147	1.5
254.05794	4.7
257.04584	8.2
258.05255	4.1
261.04059	1.6
271.06277	9.2
282.05359	6.9
283.06116	11.9
285.04034	7.1
287.02066	8.3
299.05670	24.9
300.02951	1.7
300.06415	53.7
301.07147	1.9
313.07220	5.9
315.01422	9.0
315.05020	2.2
315.08783	57.3
329.06754	4.7
330.03870	1.2
330.07446	8.0
345.06238	9.5
345.09851	100.0
345.22565	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0983
Annotation	Laurentiquinone
Peak:m/z	Relative Intensity
53.50565	0.6
65.76575	0.7
68.99814	4.4
72.89954	0.6
75.02419	0.6
80.01823	0.6
89.73319	0.7
92.23110	0.9
108.02188	7.8
123.00890	1.0
123.04512	12.1
132.02184	1.0
136.01660	61.3
147.04491	0.7
149.02502	0.8
150.03221	7.9
150.33130	0.7
151.04004	100.0
151.74884	0.7
157.34613	0.7
175.03955	0.9
178.02708	26.6
191.03497	0.7
193.05064	27.4
221.04396	0.8
345.06055	1.5
345.09805	25.0
345.15613	1.6
345.22498	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07505	0.8
59.01372	1.3
69.08788	0.9
73.99548	0.9
79.50693	0.9
81.16155	1.0
101.02435	0.9
135.04597	1.5
171.10252	1.6
218.68539	1.3
229.05003	1.9
241.04942	1.1
247.66130	1.1
253.05147	1.5
254.05794	4.7
257.04584	8.2
258.05255	4.1
261.04059	1.6
271.06277	9.2
282.05359	6.9
283.06116	11.9
285.04034	7.1
287.02066	8.3
299.05670	24.9
300.02951	1.7
300.06415	53.7
301.07147	1.9
313.07220	5.9
315.01422	9.0
315.05020	2.2
315.08783	57.3
329.06754	4.7
330.03870	1.2
330.07446	8.0
345.06238	9.5
345.09851	100.0
345.22565	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1096
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.83945	0.9
52.36003	0.8
56.05919	0.9
59.01390	4.0
70.84181	0.9
71.39937	1.0
72.41225	0.9
85.02943	1.1
93.83512	1.0
101.02463	1.1
106.06630	1.5
118.82265	1.0
119.85108	1.1
124.07686	15.6
132.04553	36.9
133.05334	47.4
134.06075	6.7
150.05585	1.0
165.04301	10.5
173.04559	1.3
177.04279	8.5
178.05118	1.3
186.09288	1.2
209.03333	2.1
214.12379	8.8
215.11908	7.6
229.09914	6.7
241.09868	5.1
257.12973	19.6
258.30438	1.0
283.10950	11.1
301.12085	7.4
345.11014	100.0
345.15543	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.02639	0.5
58.31312	0.5
59.01380	3.3
65.42367	0.4
66.87294	0.5
67.42607	0.5
71.01378	2.8
81.54782	0.5
85.02956	0.7
85.73329	0.5
89.02442	2.3
93.32140	0.6
109.42233	0.6
135.04558	1.2
137.02460	0.6
138.03239	11.4
142.88898	0.5
153.05569	18.1
165.04005	1.2
165.09123	0.8
168.04285	48.9
173.04477	0.8
183.06631	100.0
191.05609	3.4
242.87856	0.6
344.99948	0.8
345.08609	1.5
345.12042	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1193
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.06630	0.6
59.01370	2.6
61.27217	0.6
62.14277	0.5
73.52792	0.6
93.03461	1.0
123.04497	3.8
125.43105	0.7
130.75819	0.7
138.03212	15.0
139.04008	1.2
153.05571	20.2
168.04274	54.6
173.04512	5.9
179.03532	0.8
183.06624	100.0
191.05640	1.6
204.06665	1.0
249.52838	0.7
327.13373	2.7
344.99661	3.0
345.08359	2.7
345.11813	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1458
Annotation	Terreusinol
Peak:m/z	Relative Intensity
61.85345	0.9
62.69030	0.9
62.70735	1.0
76.30653	1.2
81.48532	1.2
121.05421	1.5
124.07665	6.8
145.05348	16.2
146.06200	4.4
154.34642	1.1
160.04044	20.3
161.04826	37.9
161.06163	1.8
162.05585	1.3
176.03589	2.1
177.04401	1.6
189.04338	79.6
193.03795	2.8
203.05881	1.3
221.03317	5.4
221.06943	28.2
245.12967	2.3
253.05951	5.1
269.12949	23.9
285.12405	2.2
313.12000	22.8
345.14615	100.0
345.22708	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.00535	4.0
54.26085	5.6
59.01381	46.3
60.98358	4.4
68.84622	5.6
71.01389	27.5
73.98858	5.3
82.28486	5.0
89.02442	33.7
101.02454	11.8
109.08151	6.1
113.02410	10.0
119.03508	10.3
123.00869	5.8
124.01640	6.2
125.44429	5.3
134.15672	5.2
138.03255	8.1
139.04037	9.8
165.09209	52.6
166.99887	13.6
191.01962	5.8
191.07146	6.0
201.88109	5.7
226.91434	5.5
233.49413	5.6
258.36444	5.7
261.42068	6.8
345.08752	12.1
345.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
59.01382	71.0
62.29814	1.0
62.48418	1.1
62.51128	1.1
71.01379	45.8
72.99296	5.1
73.02942	3.1
74.54330	1.2
76.82504	1.3
83.01382	2.0
85.02948	10.2
87.00861	2.1
89.02435	72.7
95.01363	1.7
101.02442	39.7
104.92768	1.5
109.02962	2.4
113.02433	31.2
119.03486	21.1
131.03491	2.0
135.04494	7.5
140.70641	1.3
151.03993	1.3
161.04547	12.2
163.76805	1.5
165.01846	1.5
165.09206	1.5
173.84114	1.3
179.03522	5.1
179.05617	15.6
183.02895	1.5
183.10265	5.8
214.11473	1.3
222.82207	1.2
224.18039	1.3
243.06712	1.6
257.01617	1.6
283.06082	1.8
301.00723	1.6
344.99731	12.0
345.11719	5.7
345.15540	100.0
365.00751	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37957	5.3
65.03969	12.7
81.94263	5.1
85.02379	5.0
97.06599	12.1
111.95315	5.4
120.15260	4.9
121.06572	22.9
125.09750	11.7
126.25684	5.1
127.96070	5.5
141.32430	5.6
171.10280	27.8
185.11847	55.3
193.81374	5.9
197.11797	9.9
201.11351	13.6
211.13303	9.6
231.17236	6.0
232.55754	5.9
235.13492	27.6
237.14966	30.1
289.18268	22.0
307.19202	100.0
345.22894	97.2
349.88239	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62035	7.2
62.05074	7.1
64.83653	6.2
68.71419	6.6
76.56232	7.9
109.06572	11.9
119.56645	7.1
125.09673	8.9
126.49047	7.9
171.10278	49.2
175.42795	7.1
183.10258	8.5
197.11810	57.5
201.11284	7.8
209.11789	31.1
296.40427	7.9
307.19168	14.2
309.17578	10.9
309.20767	100.0
320.85449	7.0
330.51053	7.6
345.22949	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99699	6.8
54.63203	7.0
56.26702	7.3
63.40417	7.7
65.05539	9.0
102.38995	8.2
129.74727	9.0
137.09741	10.9
155.10669	11.7
171.10327	12.1
206.77141	9.0
227.44376	8.9
252.97249	8.8
271.34921	9.1
274.86948	11.7
275.93497	11.7
309.20770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25359	7.9
80.68819	8.7
87.73997	10.0
97.98494	10.3
263.81140	11.4
291.19681	100.0
309.20709	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05020	6.0
73.86124	6.2
90.61157	7.0
110.79353	5.9
112.08472	6.0
120.53560	5.8
123.21774	8.2
124.12128	7.0
133.35229	6.7
142.08249	7.0
144.38228	6.2
154.83473	6.0
177.99553	7.9
252.19572	7.2
291.19626	100.0
345.20889	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03012	1.7
81.12283	2.1
81.25079	2.2
84.28347	2.3
85.48842	2.2
99.08148	5.2
146.25670	2.6
165.38364	2.7
185.11842	9.3
195.10303	3.6
209.11855	9.2
210.16057	2.4
245.97179	3.4
247.96973	2.4
251.95662	10.6
257.15268	10.7
267.95200	14.0
291.19815	4.8
297.94974	100.0
309.20703	39.1
327.15744	2.9
344.94937	13.8
345.17145	8.5
345.23145	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
113.09713	30.0
132.97670	5.9
171.10272	30.2
195.10210	42.5
211.97461	5.2
291.38660	7.0
309.20749	100.0
317.14307	7.3
326.56543	7.1
342.56244	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66621	0.6
54.02325	0.7
57.03442	1.2
59.01389	0.7
92.94094	0.7
97.06564	4.0
115.07629	9.5
123.08141	1.0
125.09708	92.1
143.10738	1.5
157.08713	1.8
167.75212	0.9
169.08693	4.4
175.09735	3.6
185.11829	20.3
187.09758	100.0
201.11319	1.9
215.12997	0.9
218.90846	0.9
331.05066	1.0
332.19263	0.8
345.12997	1.1
345.19376	26.5
345.22928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
69.03439	1.1
73.02943	0.9
80.20286	0.8
87.04507	0.7
99.08157	1.8
111.08205	0.9
113.09708	1.4
115.07701	0.8
123.08129	1.0
125.09710	5.7
127.11275	1.6
129.09213	1.7
136.07732	1.0
139.11278	4.4
141.09222	3.0
143.06998	0.9
143.10779	1.3
151.11266	4.6
154.07214	0.7
155.10776	1.2
157.08714	9.0
157.12334	1.1
165.09239	0.8
169.12291	0.9
171.10263	5.1
181.12361	1.8
183.13943	1.2
187.09761	4.1
197.11835	3.0
199.13521	0.8
201.11322	23.0
209.11746	1.6
211.13402	4.5
215.12813	3.5
227.12886	1.5
229.14494	8.0
245.56908	0.8
260.77066	0.8
262.59274	0.8
278.33008	0.8
317.86273	0.8
345.22827	100.0
361.93671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94572	0.9
63.26600	0.9
70.08469	0.8
82.04079	1.6
94.05907	1.0
123.09268	1.3
130.41609	1.0
152.55667	1.0
163.75381	1.1
165.13914	1.2
182.11826	4.9
192.14560	1.3
194.11801	2.0
195.13512	0.9
202.36914	1.0
222.14932	2.4
234.14920	2.2
273.23291	4.2
277.21521	2.0
285.23737	1.2
301.26468	4.7
303.23239	2.4
304.22836	7.4
318.24200	5.9
345.25400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22957	0.6
59.01383	23.0
60.01718	2.9
61.98831	100.0
76.82087	0.7
85.34318	0.6
100.89751	0.6
105.30883	0.6
144.76030	0.7
158.03830	0.8
159.03323	1.1
169.54477	0.7
201.02585	3.7
202.02727	15.5
203.02322	13.2
204.00002	52.7
204.02725	4.8
278.28839	0.7
295.38242	0.7
298.57321	0.8
346.01138	5.3
346.04532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50894	0.4
74.04725	0.5
78.95904	100.0
96.96951	30.9
102.57967	0.5
108.91505	0.5
120.37439	0.6
134.04723	17.7
134.39821	0.5
138.97993	1.1
150.98048	4.4
153.54739	0.5
182.99277	0.5
211.00146	2.1
346.05615	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0561
Annotation	Adenosine 5'-monophosphate
Peak:m/z	Relative Intensity
59.36580	0.6
78.95905	100.0
86.99921	0.9
96.96954	34.6
97.54287	0.7
109.02904	1.0
134.04729	23.5
150.98004	1.8
211.00134	26.6
228.09767	1.0
244.23218	1.0
346.05569	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.056
Annotation	Adenosine 3'-monophosphate From Yeast
Peak:m/z	Relative Intensity
51.35133	0.5
60.27546	0.6
64.52083	0.5
69.97352	0.6
78.95900	100.0
93.35350	0.6
94.45438	0.8
96.96949	31.0
98.30400	0.7
123.04477	0.9
134.04721	17.0
138.98009	1.3
150.97992	3.4
182.87715	0.6
184.03198	0.7
211.00137	1.1
214.97351	0.7
346.05606	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49994	1.4
59.99317	1.5
61.82803	1.2
72.61064	1.3
74.58595	1.5
82.11732	1.5
108.04552	2.1
111.21204	1.5
118.02979	8.8
121.02997	3.0
123.39275	1.5
124.65319	1.6
146.02515	2.7
147.03285	2.3
148.04053	32.6
151.04071	1.9
152.03497	2.1
162.01968	3.2
200.07239	2.3
210.05629	32.7
213.04294	24.2
226.05008	6.0
228.03081	1.8
228.06676	36.3
240.06709	13.2
240.74895	1.8
254.04619	37.1
257.03333	2.8
272.05679	100.0
282.04147	1.9
284.05606	21.2
310.03549	14.5
345.99908	2.6
346.05750	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45973	1.4
52.90509	1.2
53.15656	1.2
54.38076	1.3
59.19585	1.4
65.03960	9.2
69.40968	1.3
79.79732	1.7
79.95739	2.9
83.05022	35.3
100.04041	3.2
111.08208	1.7
123.46992	1.7
125.09727	2.1
127.04044	2.5
130.49800	1.7
144.10468	1.6
171.10269	100.0
201.11353	2.5
204.50421	1.6
209.11774	2.8
237.14957	21.1
243.96817	1.6
254.29359	1.8
255.16020	50.6
263.53210	1.9
266.13852	1.8
284.15054	9.5
299.15042	41.2
346.15106	40.4
346.23071	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35487	1.7
61.86620	1.8
65.03976	2.9
65.53168	1.8
76.61185	2.1
81.83939	1.9
83.05034	33.3
100.04060	17.6
109.22031	1.9
116.07100	1.8
127.03970	9.1
140.24854	2.1
171.10277	100.0
171.11752	3.2
201.11357	13.4
218.08830	2.0
237.14958	20.8
255.16054	56.4
266.14127	4.9
281.14026	2.7
284.14951	7.0
296.59393	2.5
299.15042	46.9
302.16138	3.7
341.52008	2.8
344.66873	2.6
346.15225	25.7
346.22891	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49929	55.2
78.95914	74.7
82.22975	58.3
84.15692	62.6
86.10715	62.4
87.29119	58.5
92.23051	57.4
102.15942	53.8
168.37004	64.9
203.03748	55.8
310.21063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79416	71.5
52.38445	71.7
57.39056	75.0
58.66726	78.4
69.97246	70.6
87.74551	86.0
108.60744	89.5
111.62571	100.0
116.66569	91.8
120.69778	76.3
162.81909	90.8
181.73888	84.3
197.92598	84.2
212.36761	84.7
275.35077	87.3
328.88330	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2755
Annotation	Anandamide
Peak:m/z	Relative Intensity
50.46554	0.7
60.49545	0.9
73.65794	0.8
85.20411	0.8
87.76237	0.9
100.99428	1.1
104.35143	0.9
107.03753	1.1
108.04553	100.0
113.14142	0.9
140.89783	0.9
155.01376	0.9
210.76172	0.9
219.30637	0.9
346.27521	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46014	1.1
55.40683	1.1
55.79406	1.0
59.01371	3.2
59.96950	1.2
63.58968	1.3
63.79622	1.1
71.01358	1.2
72.99322	1.4
77.61414	1.4
82.56229	1.2
84.93874	1.5
86.02464	10.2
99.92592	22.3
100.93361	27.7
102.53148	1.1
108.36800	1.5
109.93376	1.6
114.01949	1.9
114.05585	1.6
114.94878	2.1
115.92071	27.2
115.94450	9.1
116.92856	100.0
125.92885	36.2
126.94946	2.6
130.27509	1.5
139.94376	2.4
141.92392	2.0
142.93190	2.9
142.94394	3.0
144.99661	7.9
150.96082	2.1
152.93983	1.4
157.06232	1.7
158.93796	1.6
167.92690	5.9
167.93983	2.8
168.94646	1.7
168.97122	5.9
169.93164	1.4
169.95540	3.3
170.94014	1.4
173.04579	1.6
178.95572	5.8
179.97585	3.2
197.95039	8.1
204.97141	18.2
219.17418	1.5
223.96609	8.6
248.96112	5.8
266.97165	56.1
328.97183	1.8
329.66910	1.5
329.95639	2.8
346.94138	2.5
346.98322	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59336	1.0
59.01365	2.1
65.85877	1.2
72.99300	7.7
78.95902	2.2
84.94681	1.2
89.92555	7.8
90.93349	14.4
93.90161	1.3
99.57770	1.2
99.93381	7.2
100.94193	3.3
102.93354	1.9
106.92844	6.5
109.94181	2.4
115.92886	2.3
123.04527	1.7
135.04507	9.4
141.94446	1.9
143.96008	6.8
149.02419	14.1
158.52034	1.6
169.96387	6.4
175.94957	2.7
179.03459	3.1
197.04596	13.7
197.99519	1.5
205.01288	1.7
213.01830	2.2
229.98167	1.3
238.02597	1.4
242.99202	7.4
256.98062	2.6
257.00797	79.7
328.99265	34.7
347.00330	100.0
347.07373	4.9
347.12271	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59336	1.0
59.01365	2.1
65.85877	1.2
72.99300	7.7
78.95902	2.2
84.94681	1.2
89.92555	7.8
90.93349	14.4
93.90161	1.3
99.57770	1.2
99.93381	7.2
100.94193	3.3
102.93354	1.9
106.92844	6.5
109.94181	2.4
115.92886	2.3
123.04527	1.7
135.04507	9.4
141.94446	1.9
143.96008	6.8
149.02419	14.1
158.52034	1.6
169.96387	6.4
175.94957	2.7
179.03459	3.1
197.04596	13.7
197.99519	1.5
205.01288	1.7
213.01830	2.2
229.98167	1.3
238.02597	1.4
242.99202	7.4
256.98062	2.6
257.00797	79.7
328.99265	34.7
347.00330	100.0
347.07373	4.9
347.12271	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75114	0.4
73.53897	0.4
74.18093	0.4
76.79144	0.5
89.51176	0.5
115.00393	0.5
119.15099	0.5
132.46329	0.5
133.01392	3.5
146.35384	0.5
154.98427	0.9
168.99982	0.7
172.99495	1.2
173.04588	0.6
182.97870	3.5
183.99269	0.8
191.05695	0.7
195.01575	3.7
208.99448	6.3
231.03604	27.0
234.05061	0.5
239.00471	0.7
243.00055	0.9
269.01434	0.9
273.04620	7.9
287.02606	100.0
329.03592	0.8
347.04669	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42528	0.4
57.91407	0.4
59.01379	0.6
59.95804	0.5
77.20403	0.5
77.39262	0.5
86.02469	1.9
109.02946	100.0
122.10464	0.4
129.30995	0.5
130.08723	1.1
163.65175	0.5
166.05296	0.8
167.06145	9.4
193.04086	9.4
216.06570	1.7
257.07004	0.5
259.08734	4.3
275.08292	0.8
276.06583	0.6
285.06775	5.6
303.07776	68.8
347.06741	17.7
347.15952	4.5
347.23477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
66.67259	1.0
67.19637	1.2
70.54922	0.9
81.03470	5.8
83.05021	4.3
93.03455	2.0
100.54432	1.1
109.02930	1.7
111.04510	58.8
118.53565	1.0
118.57140	1.0
121.58135	1.0
127.04009	100.0
137.02472	8.8
147.04486	8.9
155.03510	61.8
180.10211	1.2
199.02495	46.9
206.83629	1.2
347.20883	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40747	0.7
52.12385	0.6
52.16296	0.6
58.65501	0.7
59.01378	5.3
66.06943	0.8
68.78998	0.7
71.01388	0.8
81.03457	5.3
83.04998	5.7
92.23166	1.5
93.03455	3.8
102.18469	0.7
109.02930	3.7
111.04512	56.8
126.97182	0.7
127.04008	100.0
137.02409	8.5
147.04517	9.2
155.03503	65.5
171.10222	6.0
199.02505	54.8
231.12387	2.8
347.16980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.114
Annotation	CHEBI:67555
Peak:m/z	Relative Intensity
59.01381	3.1
67.85526	0.6
69.03449	0.7
70.88663	0.5
72.99283	1.0
77.16780	0.6
81.49007	0.5
85.02946	27.7
96.95938	0.8
112.99917	0.6
113.02437	21.5
121.87070	0.6
123.04546	1.3
140.01076	0.8
149.02449	2.9
149.06068	2.8
152.01193	0.8
152.74448	0.6
153.01993	1.3
153.05560	1.3
157.06541	6.6
157.07648	0.7
167.29808	0.7
173.06058	14.4
175.07639	3.0
179.03529	0.7
189.12930	0.7
194.89847	0.7
196.47867	0.6
197.04546	1.2
199.07785	1.3
215.05559	0.9
217.08667	5.4
236.12209	0.6
245.08206	100.0
270.84195	0.7
272.50970	0.6
276.06290	0.7
287.09332	0.8
315.08615	0.7
347.07877	3.7
347.11401	60.9
347.23929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1616
Annotation	Imidocarb
Peak:m/z	Relative Intensity
58.79328	1.2
59.16508	0.9
66.20427	0.9
82.06629	1.9
86.02473	30.3
87.00866	1.1
87.89210	1.0
90.27495	1.0
90.45088	1.0
91.05523	2.0
107.86021	1.1
114.89867	1.2
122.01350	1.0
130.06596	4.9
130.08737	45.5
131.05031	7.2
168.09048	2.0
172.07735	2.7
216.04767	2.1
216.06676	33.2
216.13956	5.6
303.17191	1.6
347.16162	100.0
350.51703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
77.70988	3.2
83.30874	3.6
83.96989	3.2
89.76524	3.3
91.24759	2.9
121.79540	3.5
161.68852	4.0
195.59427	3.7
196.87073	3.8
267.19650	98.0
293.17633	35.6
309.20425	4.5
311.18677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
59.01378	27.5
59.31694	1.0
59.95853	1.1
60.12837	1.2
62.31920	0.9
62.48938	0.9
71.01379	35.4
73.02943	8.4
79.76891	1.0
80.45774	1.0
82.75546	1.1
83.01388	6.2
84.88440	1.0
85.02947	17.7
87.00842	1.3
89.02432	14.3
90.48333	1.1
95.01375	2.1
95.61752	1.0
99.00878	6.8
101.02437	40.5
103.55029	1.1
113.02431	20.5
119.03477	2.3
159.02946	1.8
161.04576	14.6
167.10707	1.9
169.05090	2.1
175.15225	1.2
185.11868	7.0
200.01241	1.2
278.91147	1.4
284.47092	1.2
306.12189	1.1
347.10043	4.8
347.17142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
59.01376	21.0
71.01379	17.6
72.99284	1.0
73.02945	9.3
81.26513	0.9
83.01379	4.3
84.28031	1.0
85.02941	14.8
87.04505	7.0
89.02441	5.3
99.00880	1.6
101.02433	23.3
113.02433	8.6
113.06056	2.1
115.07635	1.1
120.99610	1.7
123.08121	1.5
126.02549	1.1
141.09244	1.3
153.09190	4.1
159.02940	1.3
161.04529	5.3
167.10817	5.0
181.12354	1.6
183.10258	1.1
185.11838	14.9
193.12433	1.5
211.13419	1.7
229.14487	12.2
245.13945	2.2
287.14819	1.3
347.08310	2.4
347.17157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03432	0.6
59.01105	1.0
59.01378	17.2
65.88422	0.5
71.01374	8.4
73.02948	1.2
77.15307	0.6
85.02926	3.6
87.00856	0.6
89.02439	15.2
92.23066	0.7
101.02433	13.2
113.02428	5.5
119.03486	5.7
119.22624	0.6
139.11147	0.9
159.02914	0.6
185.11827	36.4
227.12874	1.1
291.92612	0.9
317.89163	0.8
347.17136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.09366	0.5
58.00594	0.6
59.01382	52.7
70.33100	0.6
71.01379	23.2
72.99303	0.9
73.02929	0.9
75.66975	0.5
77.86631	0.6
83.01358	1.4
85.02937	3.8
89.02439	31.2
95.01382	2.3
96.00912	1.0
101.02436	19.7
111.55721	0.5
113.02439	10.8
119.03481	10.8
121.10219	1.1
161.04498	0.9
167.10794	9.6
179.05585	0.8
215.10762	0.6
276.77832	0.6
307.92883	0.6
347.17136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.09465	1.5
53.85692	1.7
55.01881	2.9
58.56725	1.6
59.01381	88.8
66.38867	1.7
71.01377	87.2
72.99299	8.8
73.02946	23.1
82.99499	1.8
83.01395	12.6
83.82787	1.7
85.02943	50.4
87.00871	5.0
89.02439	56.0
95.01384	4.7
99.00904	7.6
101.02441	56.2
113.02451	43.1
119.03522	15.0
125.02447	1.9
135.04498	2.3
137.09724	3.5
143.03510	2.8
159.03004	4.0
161.04559	43.1
179.05560	5.1
185.11766	15.8
197.04642	3.5
217.66020	2.5
259.61215	2.4
279.39923	2.0
281.27811	2.0
316.09622	2.4
347.07755	11.6
347.17117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25451	1.0
51.38211	1.0
53.02235	1.0
57.03445	1.1
59.01382	66.0
59.01685	2.1
68.85316	1.0
70.91419	1.1
71.01377	39.8
73.02956	4.4
83.01359	1.8
83.25725	1.1
83.97800	1.1
85.02954	10.0
87.00871	1.3
89.02436	54.1
95.01369	2.2
101.02438	31.8
108.99348	1.1
109.71564	1.2
113.02452	21.4
119.03493	20.6
143.03503	2.8
161.04634	8.7
179.05629	8.0
184.72537	1.2
185.11769	9.8
251.95700	1.3
271.57285	1.5
347.17154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01882	1.4
57.03436	0.9
59.01382	48.2
71.01376	38.1
72.99314	2.0
73.02946	13.1
75.00862	1.7
77.54164	1.0
83.01404	6.7
83.81474	0.8
85.02946	20.5
87.00845	1.0
89.02432	17.8
95.01379	3.6
99.00861	5.2
101.02437	43.2
104.64896	0.9
113.02438	20.1
119.03490	8.4
141.09192	1.7
159.02968	1.7
161.04564	16.2
179.05600	1.8
185.11819	5.6
347.17133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
51.81299	0.4
59.01387	0.7
69.86874	0.5
73.02913	0.4
77.24710	0.4
81.31126	0.5
118.06664	0.6
138.09248	0.6
155.08269	0.7
160.78523	0.5
164.07219	2.3
171.10255	0.7
182.08203	0.8
189.12840	1.0
201.11331	2.1
211.13403	1.0
217.14479	0.9
229.14571	0.8
303.19708	9.8
329.17578	7.2
347.18658	100.0
347.24332	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66772	8.1
59.01392	9.3
62.68379	7.2
67.33052	8.0
104.58376	8.3
131.86537	9.4
148.29172	9.6
164.74623	10.4
221.83736	10.1
236.50363	10.1
249.18689	94.4
293.21252	100.0
361.31955	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.5
59.91455	2.2
62.01561	2.2
88.93745	2.0
96.96004	14.8
99.08192	2.6
106.77723	2.1
114.62389	2.2
120.86983	2.5
147.65201	2.2
171.10286	10.3
211.13467	3.9
232.13438	2.6
265.14804	45.6
293.21405	20.0
311.22321	100.0
329.21347	4.7
347.14880	3.2
347.18570	11.1
347.22537	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
92.54274	3.6
99.51559	4.3
121.80678	3.5
124.80963	3.6
131.37135	3.7
154.22929	3.7
162.12781	3.5
171.10292	7.2
199.08815	3.6
211.13445	4.2
311.22339	100.0
314.11142	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.8
87.69294	0.8
88.54092	0.6
97.85589	0.7
103.86079	0.8
114.51821	0.7
186.19075	0.8
190.11600	0.8
225.30983	0.7
265.21747	100.0
290.29559	0.8
347.22055	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86736	0.7
59.01374	12.0
59.85585	0.8
65.04978	0.8
75.00565	1.0
85.51683	0.8
153.50670	0.9
265.21747	100.0
347.22086	43.7
347.26352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.223
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.28610	0.5
57.03452	1.1
58.96179	0.6
78.45928	0.7
78.56208	0.6
83.05032	3.5
84.98318	0.6
85.02951	1.1
85.16147	0.7
100.50914	0.6
102.20638	0.6
104.88041	0.7
106.34610	0.7
111.04490	3.2
123.04513	1.7
127.04009	4.8
138.85576	0.7
140.04799	6.7
140.29602	0.6
141.06114	0.7
142.24294	0.8
145.71446	0.7
172.03769	10.8
189.16513	4.9
207.17654	0.8
217.16023	5.4
219.17693	0.8
329.21204	1.3
347.22324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18262	0.9
59.01394	1.4
59.40100	1.0
69.72073	1.0
73.91151	1.1
81.76566	1.0
86.57867	1.1
92.22511	1.7
205.19722	1.1
231.17513	1.5
237.25369	1.2
249.18617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23194	0.6
50.60323	0.6
55.93591	0.6
59.01379	1.3
70.01659	0.7
73.02943	1.2
86.02470	0.9
99.08149	3.3
118.06624	0.8
120.51728	0.7
127.11276	3.3
129.09201	4.3
129.10341	1.3
139.11311	5.4
143.10753	1.6
147.04550	1.2
155.08339	2.5
155.10739	1.0
164.07178	4.5
171.10226	9.9
182.08243	4.1
199.13478	5.2
201.11349	19.7
202.07428	0.8
211.13408	7.5
215.12863	7.4
217.14513	5.6
229.14485	4.3
260.57584	0.7
282.34009	0.7
303.19684	9.2
329.17545	3.8
329.23383	11.5
347.15106	1.9
347.18686	44.4
347.24411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2593
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
56.91407	0.7
60.39760	0.8
72.95854	0.7
84.54349	0.8
88.00182	0.8
94.40260	0.9
94.63761	0.7
115.93980	0.9
251.20686	0.8
303.26968	100.0
325.80457	1.0
347.25943	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1093
Annotation	Voriconazole
Peak:m/z	Relative Intensity
59.01377	3.6
70.02984	3.8
71.01366	0.6
84.04499	0.6
87.71049	0.5
89.42493	0.5
97.33411	0.4
112.04035	25.3
117.03459	9.2
118.04232	1.1
119.05008	13.3
121.02937	0.9
123.04515	0.6
124.04048	0.8
145.02954	100.0
161.06075	1.8
163.04015	14.0
184.06100	0.5
203.87057	0.5
205.05040	0.9
232.13052	0.5
235.06163	0.7
265.07190	1.1
318.74942	0.5
329.39767	0.4
348.10910	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
68.05045	1.7
70.32325	0.4
73.02949	2.8
88.04034	100.0
101.02435	10.0
116.54440	0.4
127.86576	0.6
130.05083	2.1
147.78734	0.5
160.06168	9.1
172.06128	0.9
226.37723	0.4
348.13013	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29103	87.1
53.06147	67.6
58.79151	69.8
62.35510	71.5
67.67023	70.9
69.44141	86.6
85.11032	86.9
98.88005	85.3
140.33891	84.1
172.96196	100.0
218.31667	97.8
231.72527	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72015	0.5
68.42595	0.5
86.06144	0.7
88.04037	100.0
108.41068	0.6
110.65221	0.5
246.59798	0.5
311.17200	0.7
348.25488	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
73.36595	0.9
88.04002	3.0
93.34771	0.9
135.65082	0.8
220.20763	3.9
246.18585	6.9
264.19720	22.4
286.25500	4.6
304.26447	6.0
312.23492	1.1
330.24429	29.2
330.28302	1.3
331.17496	1.0
348.25479	100.0
353.96957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48819	1.1
58.02977	13.7
71.01358	1.7
84.79824	1.6
88.04031	36.6
100.71225	1.2
104.68469	1.4
106.93532	1.3
114.09222	1.8
116.07164	34.5
129.06763	1.2
165.83740	1.4
170.66679	1.3
216.74132	1.4
218.37514	1.5
276.23331	2.3
348.25494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15852	0.6
59.01381	100.0
62.30040	0.9
63.05052	0.7
66.21412	0.7
83.76040	0.8
85.64528	0.8
85.74643	0.8
90.79164	0.8
92.22388	0.9
108.04960	0.9
371.16495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21001	0.5
59.01382	100.0
63.37401	0.7
66.36356	0.5
155.85580	0.6
156.07927	0.7
164.37901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18043	0.6
55.93890	0.6
56.69883	0.6
59.01384	100.0
83.20113	0.7
83.82718	0.9
94.67595	0.6
111.19347	0.8
119.25182	0.8
167.94107	0.7
190.59689	0.7
266.18524	1.4
310.21048	2.8
348.18903	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08003	0.8
56.89175	0.6
59.01385	100.0
60.23763	0.7
113.94868	0.7
115.32906	0.9
193.67615	0.8
233.66852	0.9
245.82455	0.9
287.75217	0.8
310.21045	4.4
335.66617	0.8
348.22629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42115	0.6
57.67739	0.6
59.01384	100.0
64.82289	0.8
72.89779	0.7
94.88663	0.8
112.19278	0.7
232.80592	0.8
310.21118	4.8
327.02356	0.8
350.42123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.2
59.01385	7.4
62.87275	0.7
69.03451	100.0
70.47023	0.8
71.01377	3.7
72.99312	1.3
75.00879	0.7
79.01892	3.5
81.13692	0.8
82.51674	0.7
85.02965	1.0
86.70012	0.8
89.02417	1.4
94.75405	0.7
95.01358	0.9
97.02933	21.6
99.00871	35.2
101.02420	1.3
119.05026	7.9
134.03751	1.6
138.01891	0.8
141.01949	7.8
149.06091	1.1
160.01666	11.4
163.03998	6.4
175.04007	25.9
178.83716	0.8
185.00919	49.2
191.05539	1.7
193.05179	1.3
199.13434	7.2
203.02034	4.4
211.13419	4.7
349.05643	21.9
349.09451	12.6
349.13419	1.7
349.18707	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63558	1.3
52.70792	1.1
55.01876	5.1
55.22031	1.0
59.01373	6.8
59.97173	1.0
69.03455	100.0
71.01394	4.8
79.01888	1.3
80.80737	1.2
97.02949	23.8
99.00865	30.5
114.01824	1.6
119.04999	5.9
134.03696	1.6
141.01912	8.5
141.59775	1.5
160.01654	7.3
163.04005	5.6
175.03992	21.0
185.00912	48.0
203.02008	19.3
203.03729	2.1
203.77371	1.2
205.98370	1.5
208.81671	1.2
349.05652	16.5
349.09415	10.6
349.13470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.6
64.18449	2.1
68.32147	2.1
71.01385	4.8
85.02954	14.0
87.00879	21.3
92.27428	2.3
93.03478	13.7
97.02886	2.2
111.04447	2.5
115.00404	2.6
129.01917	2.8
131.04582	4.1
134.03740	19.2
149.06062	4.7
155.03584	2.7
157.01505	2.9
160.01675	42.2
170.85220	2.7
173.04491	3.5
175.02495	6.1
175.03992	100.0
193.05069	3.6
223.72336	2.3
256.24719	2.5
349.04398	10.9
349.09317	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0931
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
58.09642	1.0
58.45480	0.8
59.01369	2.0
59.13105	1.1
60.13220	0.8
61.68035	0.8
79.84902	1.0
89.02438	1.5
93.03458	11.7
101.02422	1.2
111.04468	1.3
132.02138	1.8
133.02954	6.2
134.03728	38.6
135.04529	4.0
137.02431	14.7
139.04019	6.8
149.06076	8.4
150.03282	1.1
155.03482	1.4
160.01646	46.7
161.02444	8.6
173.04506	4.3
175.03998	100.0
178.02747	12.4
179.03462	1.1
193.05132	5.3
233.30417	1.1
273.15869	1.1
305.10242	5.4
349.09317	77.8
349.13669	3.1
349.18555	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59318	1.0
88.98650	1.1
93.03441	7.3
99.62185	1.2
111.04524	1.3
118.72939	1.2
125.38227	1.2
129.97212	1.1
133.02943	5.1
134.03757	15.1
134.38953	1.0
135.04530	86.6
149.06078	7.7
160.01654	37.0
161.02444	38.3
162.05605	1.9
175.04002	85.2
179.01920	2.5
179.03508	76.0
193.05116	6.1
207.09068	1.2
238.49326	1.2
315.87854	1.3
328.72873	1.1
349.09317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	1.7
70.70638	1.4
71.01374	3.1
73.01154	1.9
75.97218	1.3
85.02905	1.8
87.00847	2.3
89.54159	1.5
93.03452	10.2
101.43003	1.6
132.02121	1.9
134.03734	14.7
135.04515	9.8
136.63617	1.4
137.02440	1.7
138.86639	1.7
149.06068	11.2
160.01651	39.1
167.03464	2.4
173.04514	2.5
175.03993	100.0
187.09798	3.6
193.05029	8.0
198.43307	1.6
227.05664	2.3
349.05286	2.8
349.09351	61.8
350.45441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83866	0.4
53.71453	0.4
67.01888	0.8
69.03455	0.8
70.13069	0.4
71.01366	0.5
86.55672	0.5
93.03445	9.3
111.04511	1.0
132.02199	1.7
134.03741	8.8
136.56664	0.4
137.02440	2.3
149.06078	5.7
160.01657	48.5
173.04576	3.3
173.05943	0.4
175.04002	100.0
193.05087	3.2
195.74341	0.5
237.73250	0.5
261.32715	0.5
349.09329	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41494	0.9
59.01374	1.8
65.03948	1.0
72.99303	1.9
73.02938	2.1
78.71518	1.0
80.43256	1.1
83.05015	5.7
92.92881	1.2
93.03442	44.8
99.00878	1.8
102.93683	1.2
107.02931	1.4
107.03613	1.0
111.04500	15.3
117.03433	2.7
120.99692	1.3
133.02991	1.4
134.03740	96.1
135.04501	1.6
136.84822	1.2
137.02438	38.8
143.03433	1.1
149.06079	23.9
155.03487	25.0
160.01648	17.2
161.02457	1.7
173.04552	2.2
175.03999	25.6
178.02699	25.0
178.04115	1.8
188.93628	1.1
191.05695	1.7
193.05063	100.0
231.06696	2.6
241.05101	1.9
243.04808	1.3
259.00327	8.1
269.04556	1.4
287.05582	1.9
330.98898	2.0
331.04538	2.5
349.00009	12.1
349.05634	7.3
349.09338	57.2
349.18610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65433	0.9
65.74655	1.0
67.01901	2.1
71.01376	2.0
74.24055	1.0
90.94102	1.1
101.02444	1.4
111.00870	100.0
113.02440	2.0
175.03966	2.4
213.64970	1.3
237.09805	1.5
263.52634	1.3
349.09097	1.6
370.95786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15989	0.6
56.90158	0.6
59.01384	100.0
70.81463	0.6
71.01379	37.9
71.05030	0.7
73.02942	6.7
83.01387	1.4
85.02946	9.9
87.00879	0.7
89.02436	15.3
95.01390	0.8
97.02943	0.8
99.00881	2.5
101.02438	20.9
101.06090	9.2
113.02442	12.3
115.03994	11.3
119.03504	5.7
143.03503	1.8
154.56563	0.8
158.48412	0.8
159.02956	1.1
161.04556	6.6
169.05037	0.7
175.04013	1.0
179.05614	7.1
189.05592	1.0
251.07646	3.7
263.11343	15.1
277.11926	1.0
305.12424	6.6
311.07806	1.2
331.09418	0.9
334.05042	0.8
349.11243	5.1
349.15030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1197
Annotation	tetraborylporphyrin
Peak:m/z	Relative Intensity
55.64814	1.5
59.79407	1.7
66.87826	1.6
72.00904	2.7
74.42882	1.5
74.99365	1.9
81.22057	1.9
93.03448	12.8
100.00397	26.3
109.57743	1.9
116.05064	6.7
117.03455	9.3
119.05013	100.0
130.06599	8.6
134.03741	7.7
142.06613	29.6
145.02946	61.4
146.06136	8.8
147.04549	3.6
149.06075	9.3
157.07697	25.9
159.09259	22.3
160.01663	34.5
162.05649	3.3
175.04002	73.5
176.07190	7.1
181.07739	12.3
186.05605	11.8
193.05070	3.5
203.08264	9.5
229.06175	74.2
239.31917	2.0
279.11032	2.7
305.12946	9.1
349.08835	18.4
349.12680	49.4
354.41998	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.69216	0.8
61.97987	1.0
71.01382	5.5
85.02970	1.9
89.02435	9.3
101.02441	5.4
113.02419	1.4
115.04002	1.7
117.32978	1.0
119.03464	1.5
125.09698	4.1
129.62436	1.0
145.74632	1.2
169.08720	2.1
175.04016	1.9
182.02902	1.0
196.97581	1.0
251.07770	2.2
265.14160	1.2
289.12888	1.6
349.11111	3.9
349.14993	18.6
364.04269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.05812	0.7
57.03448	1.3
58.00607	1.4
59.01383	94.1
60.19297	0.7
66.06702	0.8
71.01378	56.8
72.99298	1.8
73.02947	5.5
83.01398	5.4
85.02957	12.5
89.02441	62.1
95.01397	3.8
97.02931	1.5
99.00927	1.2
101.02444	39.2
107.08665	26.5
108.04532	8.0
109.04066	12.9
113.02433	27.7
118.82624	0.8
119.03500	21.2
121.04099	1.1
131.03508	1.2
137.03589	3.6
139.05127	1.5
143.03523	1.9
149.04546	1.2
151.05138	34.9
161.04520	8.3
179.05627	9.7
187.13460	1.3
197.04689	1.2
229.09888	8.7
345.33411	0.9
347.31238	1.1
349.14893	100.0
349.18948	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07320	1.4
55.46827	1.4
59.01101	2.6
59.01382	68.8
59.65586	1.5
71.01379	31.9
73.02912	2.1
73.46996	1.7
75.14674	1.7
80.02560	1.6
83.95013	1.7
85.02950	3.3
89.02438	44.7
101.02450	22.2
107.08658	70.6
113.02464	12.6
117.41315	1.7
119.03474	13.8
159.83247	1.7
161.04678	1.8
169.08760	2.0
179.05569	2.3
196.18210	1.7
270.36404	1.8
349.15045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29870	1.1
55.01872	1.4
57.03437	2.2
57.23698	1.2
59.01106	2.4
59.01383	54.6
71.01379	35.7
71.85330	1.3
73.02956	14.5
83.01381	3.5
85.02952	18.9
89.02431	24.1
95.01355	1.9
99.00874	2.8
101.02441	31.8
105.24021	1.6
113.02425	19.4
119.03480	7.6
125.09741	1.7
126.27878	1.6
132.73450	1.7
141.79045	1.6
143.03410	1.7
145.59111	1.5
152.08098	1.9
157.76407	1.6
161.04570	6.3
199.38625	1.6
330.99796	2.0
349.15027	100.0
349.18826	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52174	0.3
53.36898	0.4
59.01387	5.1
62.24646	0.3
65.04913	0.4
71.01385	2.3
73.02946	0.5
85.02927	0.6
89.02419	1.5
97.06589	0.9
101.02448	3.0
113.02467	2.8
115.04470	0.4
119.03437	0.4
120.23890	0.5
123.08112	0.5
125.09721	46.2
167.10780	1.9
169.08717	2.1
187.09776	100.0
201.11337	2.5
211.09749	4.5
229.10909	0.9
349.09756	0.6
349.15094	7.2
349.18954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38560	0.4
59.01373	4.9
66.48802	0.4
71.01382	2.7
73.02943	1.3
78.97784	0.5
83.05024	0.9
85.02950	0.5
87.00873	0.6
89.02413	1.1
93.03447	5.1
97.06562	0.9
101.02439	8.2
111.04485	3.1
113.02454	1.0
115.10238	0.6
125.09712	51.8
128.21870	0.5
129.71655	0.5
134.03773	3.7
136.19556	0.6
137.02420	1.3
151.87976	0.5
155.03542	2.1
167.10786	3.7
169.08791	4.0
173.04512	0.7
175.03998	1.0
178.02840	0.6
187.09766	100.0
193.05077	4.4
201.11334	4.7
211.09746	12.0
229.10822	4.6
259.11920	5.7
289.12958	8.0
349.09866	2.4
349.15027	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52174	0.3
53.36898	0.4
59.01387	5.1
62.24646	0.3
65.04913	0.4
71.01385	2.3
73.02946	0.5
85.02927	0.6
89.02419	1.5
97.06589	0.9
101.02448	3.0
113.02467	2.8
115.04470	0.4
119.03437	0.4
120.23890	0.5
123.08112	0.5
125.09721	46.2
167.10780	1.9
169.08717	2.1
187.09776	100.0
201.11337	2.5
211.09749	4.5
229.10909	0.9
349.09756	0.6
349.15094	7.2
349.18954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	100.0
79.88804	0.8
93.03422	3.9
93.77496	0.9
96.96960	12.5
134.03706	4.7
149.06113	1.9
160.01668	14.5
160.02892	1.4
173.04570	1.1
175.04005	37.3
178.68263	1.0
193.05009	4.2
200.56674	1.1
269.04449	1.1
273.38599	1.0
299.57642	1.1
331.16730	4.0
339.82068	0.9
349.05270	1.1
349.09329	20.7
349.17813	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.01683	3.8
63.29147	1.8
67.84544	1.8
70.70061	1.6
71.01380	67.0
73.02946	4.4
79.20185	1.8
80.78660	1.8
85.02950	15.6
87.00875	3.0
89.02438	91.1
89.48601	2.1
95.01392	3.9
101.02442	34.2
113.02453	22.3
114.23357	2.3
119.03481	32.5
143.03502	2.0
148.21162	2.5
160.01613	4.6
161.04562	12.9
168.56108	2.5
175.04005	21.0
179.05652	24.0
215.88506	2.0
231.20436	2.1
280.39417	2.1
321.36560	2.2
346.30893	2.3
349.09143	9.6
349.18658	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77873	2.1
51.31250	2.2
53.66042	2.1
59.01102	3.4
59.01383	69.1
65.59324	2.5
69.40455	2.4
71.01376	57.7
73.02943	17.2
83.01398	3.4
85.02951	22.6
89.02435	36.6
95.01402	3.3
99.00854	3.5
99.22601	2.6
101.02448	55.2
107.08663	11.1
111.15276	2.5
113.02444	38.4
119.03493	13.1
134.03735	3.8
159.03050	3.2
160.01666	10.1
161.04552	26.7
164.27682	2.5
175.04004	36.6
179.05603	3.4
195.92035	2.9
244.98790	6.1
349.00101	3.1
349.09338	13.5
349.14877	16.4
349.18692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.44044	0.5
56.50114	0.5
59.01382	36.5
62.54961	0.5
63.23303	0.5
65.18202	0.5
71.01006	1.1
71.01378	19.4
73.02926	1.0
74.04241	0.5
77.47926	0.5
80.96492	0.7
82.96103	0.7
83.01389	0.8
85.02946	4.6
85.06544	0.6
89.02437	19.5
92.22547	0.6
95.01382	0.7
100.34050	0.5
101.02441	16.5
109.04536	0.5
113.02441	8.7
115.11497	0.6
119.03487	5.3
134.03735	0.8
141.12883	0.7
160.01675	2.3
169.12360	14.3
175.04007	4.8
177.31421	0.6
183.66388	0.6
187.13379	12.9
228.61827	0.6
301.81122	0.6
349.09433	3.2
349.18704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.11076	1.0
53.06349	0.8
54.88603	0.8
59.01381	54.2
68.94588	0.9
71.01380	20.2
73.02945	1.2
82.84814	0.9
85.02942	4.1
89.02438	27.9
95.01395	1.1
100.31261	1.0
101.02439	20.6
113.02451	10.6
119.03474	9.4
139.00365	1.5
160.01637	4.1
163.60643	1.1
165.54790	0.9
169.12369	8.9
175.04007	8.0
187.13472	1.6
198.53641	1.0
206.31654	0.9
217.17207	1.0
330.83179	1.1
347.49969	1.0
349.05710	3.7
349.09366	3.9
349.13678	4.5
349.18698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12211	2.0
57.03452	2.2
59.01385	100.0
65.15236	2.2
69.59868	2.0
69.94140	2.0
71.01381	67.5
71.01735	4.3
71.54996	2.0
73.02943	21.7
73.90992	2.2
83.01379	4.8
85.02948	37.7
87.00893	3.4
89.02440	71.7
95.01379	5.1
99.00848	4.7
101.02447	60.7
113.02431	35.6
119.03484	24.3
125.93372	2.6
159.02969	3.4
161.04555	29.7
179.05655	11.6
219.97400	2.8
247.40341	2.4
349.09738	4.1
349.18701	76.7
369.13937	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1873
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.12155	1.4
52.37564	1.3
55.01889	1.8
57.03432	1.6
59.01383	93.5
71.01012	3.1
71.01380	65.6
72.12487	1.4
73.02947	11.8
78.56194	1.6
83.01384	2.7
85.02950	24.9
87.00879	2.4
89.02444	55.3
95.01356	7.3
99.00846	6.9
101.02443	42.7
101.51435	1.6
113.02432	35.2
114.01954	2.0
119.03495	17.8
127.03996	2.1
143.03468	3.1
151.05130	2.3
159.03012	2.1
160.01610	3.2
161.04553	23.8
175.03987	12.2
179.05557	2.9
187.13396	16.4
248.35806	1.9
309.32501	1.8
349.09265	8.5
349.14600	4.6
349.18686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93760	2.4
54.29111	2.5
55.01871	2.9
56.51789	2.4
59.01384	91.3
62.59396	2.3
71.01382	64.0
73.02938	13.8
83.01355	3.4
85.02963	18.5
89.02435	49.9
93.03455	2.9
93.81793	2.6
95.01396	4.7
101.02433	47.2
108.45402	3.2
113.02448	31.6
119.03504	16.9
160.01723	3.8
161.04533	19.9
175.04022	17.2
179.05612	5.9
187.13470	12.8
305.82190	3.6
325.85992	3.1
349.09457	4.2
349.14954	20.1
349.18732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01868	1.9
55.95924	1.4
57.03440	2.7
57.55622	1.4
59.01382	100.0
60.56175	1.6
62.13171	1.6
71.01009	3.1
71.01379	74.2
73.02952	16.2
73.03283	1.6
83.01374	6.6
85.02930	20.5
89.02434	55.2
91.18606	1.8
95.01352	7.2
99.00872	2.8
99.59819	1.5
101.02436	60.4
108.04214	2.1
113.02444	30.9
119.03482	19.0
140.01096	2.4
143.03413	2.5
160.01591	3.8
161.04561	28.1
172.19562	2.1
175.03987	13.8
179.05571	10.7
187.13316	9.1
192.39063	1.8
199.02502	7.3
209.57031	2.2
283.63647	1.9
349.05493	2.6
349.09320	3.4
349.13574	4.1
349.18677	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68785	1.2
53.25643	1.0
54.74610	1.3
58.00622	1.5
59.01386	100.0
69.62616	1.2
71.01012	2.5
71.01384	58.6
72.45084	1.4
73.02940	3.2
83.01402	2.0
85.02956	14.2
87.00890	2.5
87.04508	1.8
89.02441	68.6
92.23153	1.4
95.01383	5.7
99.00855	2.1
101.02447	34.0
101.95785	1.3
113.02440	27.0
119.03505	19.0
143.03519	3.0
161.04584	13.1
179.05627	11.8
187.13359	3.2
215.34816	1.4
250.08664	1.7
328.97083	2.2
349.18759	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88651	0.5
59.01381	100.0
61.48056	0.5
64.69486	0.6
69.03429	0.8
71.01384	2.4
73.02966	0.7
85.02906	1.0
89.02444	0.7
101.02438	1.1
105.06248	0.7
130.61375	0.6
160.01671	1.0
161.04488	0.7
175.03975	4.5
289.16678	7.5
318.33490	0.6
331.21262	9.4
349.09274	1.3
349.21921	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
56.86803	0.7
59.01380	100.0
60.22510	0.8
63.79472	0.7
67.35115	0.8
71.01373	19.8
73.02937	5.5
78.52846	0.8
83.01386	1.5
85.02946	6.9
89.02438	16.6
95.01406	1.0
99.00797	0.8
101.02441	18.7
113.02425	12.1
119.03501	7.0
119.42737	0.9
161.04538	6.4
175.03983	1.8
179.05548	1.7
241.41414	1.0
292.21527	0.9
307.17596	8.6
349.09924	2.0
349.14514	1.7
349.18695	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14463	0.4
54.07265	0.5
56.76206	0.4
59.01384	100.0
61.15285	0.4
66.57268	0.5
69.22089	0.5
71.01382	5.4
73.02951	2.2
85.02968	2.1
89.02449	3.6
93.03458	0.8
101.02442	4.9
113.02444	4.3
115.88186	0.5
118.25934	0.5
119.03514	0.8
121.56110	0.5
125.09747	0.6
134.03723	0.6
134.06583	0.6
137.02409	0.6
145.12520	0.5
148.52350	0.5
155.03577	0.7
157.38911	0.4
159.03055	0.5
160.01692	2.6
161.04626	2.3
175.04010	3.4
191.05659	3.2
193.05113	2.2
247.44357	0.5
249.08968	0.7
307.17642	8.8
311.74808	0.6
349.09457	2.8
349.14673	0.8
349.18842	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11897	10.5
59.01371	24.9
63.81317	11.1
67.65239	10.7
68.83527	10.3
70.50150	11.1
79.16524	10.5
85.34664	12.4
96.96040	28.0
114.72397	13.2
160.01628	29.3
175.03928	100.0
190.52898	13.7
198.24269	11.9
311.22360	62.9
349.09341	76.1
349.20578	23.7
356.45154	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2024
Annotation	19(R)-hydroxy-PGA2
Peak:m/z	Relative Intensity
54.81510	0.5
55.66754	0.6
57.19237	0.5
59.01377	10.7
60.68121	0.5
60.99315	0.6
62.93434	0.6
63.01209	0.5
67.45852	0.5
73.02959	1.0
75.00875	3.2
79.19038	0.6
82.74606	0.6
91.06130	0.7
119.08656	1.3
160.01691	0.7
175.03996	3.6
179.52591	0.6
243.17584	3.0
257.38351	0.7
263.14667	0.7
273.18634	5.0
301.18161	6.3
303.19757	4.1
319.19193	3.7
322.42990	0.7
331.19202	17.3
349.20258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97828	1.0
51.61412	1.0
51.68667	1.1
58.84027	1.1
59.01386	14.3
67.48517	1.3
70.10686	1.3
94.98096	1.2
96.96019	1.4
99.08146	5.2
118.43530	1.3
127.07658	1.3
129.09203	15.9
134.03732	1.3
136.32912	1.3
160.01735	2.1
175.04071	9.9
177.59407	1.2
183.13904	30.4
195.13936	3.0
207.51790	1.6
207.91823	1.5
216.45975	1.2
277.21756	1.9
295.22760	8.7
311.22330	14.1
313.23883	100.0
349.09265	3.0
349.20435	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42971	5.1
78.51646	6.2
80.89265	6.0
84.61150	6.1
91.64613	6.2
96.96004	29.9
110.95670	6.2
114.74476	6.1
128.79572	6.0
133.84895	6.1
160.01694	32.8
169.64352	6.7
175.03981	63.1
201.11346	34.2
237.22012	6.4
278.88489	7.5
313.23929	100.0
347.65936	7.0
349.09348	48.7
349.73718	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42408	15.8
57.02755	16.3
59.60741	17.9
59.96593	19.0
65.91364	16.9
75.35001	16.9
78.95901	30.2
79.99595	19.7
117.77852	21.4
160.01663	32.7
175.04037	82.1
190.67702	18.5
197.78094	18.7
295.22620	26.2
301.07190	23.4
349.09537	29.4
349.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41737	1.8
67.62734	2.1
74.41360	1.8
84.93867	3.7
88.04031	16.8
99.91963	2.6
99.92576	67.6
100.93364	16.9
115.92070	18.1
116.92854	100.0
163.43971	2.1
184.48196	2.5
239.97372	2.0
247.15703	2.2
295.22824	21.3
349.11194	82.5
349.25076	4.5
363.08887	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2177
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
53.70439	2.0
55.87280	1.8
61.84616	2.2
64.60090	2.2
68.67637	2.1
78.72220	2.2
96.95990	54.9
121.32773	2.6
151.85338	2.9
175.03972	4.5
211.07852	2.6
225.09283	3.2
226.10048	5.4
227.10846	3.1
237.09198	4.2
280.14954	10.5
285.72302	2.7
294.16287	4.1
304.91302	2.6
315.89249	2.4
330.63699	2.7
349.09467	2.9
349.21796	100.0
349.24878	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27874	0.4
57.25716	0.4
59.01382	12.4
69.15441	0.5
111.78909	0.5
148.39966	0.5
267.23315	100.0
292.40582	0.6
349.23642	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58448	0.7
59.01381	10.6
73.28999	0.5
78.95894	0.8
83.47471	0.7
121.05820	0.6
122.64266	0.5
160.01697	0.8
175.03961	2.8
267.23294	100.0
281.15836	0.7
349.23639	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96207	0.5
59.01390	1.2
64.86777	0.5
66.75753	0.5
83.57806	0.5
100.20984	0.5
133.62636	0.6
167.51878	0.6
213.73489	0.6
219.36111	0.5
277.21750	100.0
349.24081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30421	1.5
57.15809	1.7
57.23824	1.5
57.31221	1.8
58.92550	1.4
59.01383	4.1
61.68822	1.6
65.78239	1.6
70.09634	1.9
71.05024	9.2
73.02927	3.9
77.05607	1.6
78.62089	1.6
85.06587	3.8
92.99029	1.8
125.09750	3.2
127.11250	2.3
133.08681	2.0
137.09740	2.1
166.09988	4.0
177.12837	2.3
179.14449	7.1
185.11816	10.9
192.70584	1.9
205.16025	2.0
209.15538	3.8
219.17473	2.3
225.15004	4.3
264.95038	2.0
272.04584	2.1
275.20532	2.4
287.23749	2.2
291.19662	4.3
293.21210	3.5
298.84985	2.0
311.22290	8.1
331.22797	100.0
349.20102	3.9
349.23904	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03386	0.7
51.03527	0.8
59.01359	1.3
61.37706	0.8
71.01369	12.5
75.43441	0.7
89.02440	73.2
96.95998	2.2
109.44525	0.9
160.01628	1.2
175.04005	3.3
253.21710	5.8
277.21750	100.0
300.53412	1.2
349.23917	20.4
358.78876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2388
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
53.44555	0.5
56.21974	0.6
59.01384	0.7
64.36200	0.5
81.69575	0.6
92.88758	0.5
103.35339	0.6
137.09743	0.9
149.06125	0.9
151.11267	2.7
160.01654	1.2
160.87524	0.7
165.12845	3.5
175.03987	5.7
181.12392	0.6
221.19162	0.8
247.16977	1.0
265.17996	0.9
287.23822	3.5
313.21838	0.7
315.19366	0.8
331.22791	18.3
349.09375	2.7
349.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65946	0.5
53.56325	0.5
63.26871	0.7
70.97868	0.7
71.72744	0.6
89.44534	0.6
96.36813	0.8
96.96008	56.9
102.10084	0.6
114.30639	0.7
121.97813	0.6
123.67028	0.6
132.81367	0.7
135.28966	0.6
170.15187	0.7
175.04025	3.0
185.86732	0.7
279.93860	0.8
349.09616	1.2
349.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10509	0.4
68.99714	0.4
82.46773	0.4
96.96004	56.4
175.03967	0.6
217.22409	0.5
277.79840	0.4
345.04208	0.5
349.24210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.275
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
50.42196	0.6
66.37613	0.7
72.99102	0.7
78.95909	0.8
80.48104	0.6
135.70319	0.7
160.01636	1.2
175.03949	1.3
175.35152	0.8
212.54008	0.9
272.49774	0.7
349.27512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59434	1.1
53.79717	1.3
68.28566	1.1
76.23148	1.3
91.21144	1.5
93.62350	1.3
143.74532	1.6
145.58998	1.5
159.04535	9.7
162.01926	3.3
164.81670	1.5
175.04028	1.8
187.37227	1.3
218.01616	1.7
248.07225	2.1
249.07959	1.7
259.08960	1.4
265.07486	2.0
266.04437	1.8
268.11444	1.5
283.23422	1.6
286.79089	1.5
291.09531	1.4
292.06198	64.0
293.06967	30.7
294.07758	15.5
306.04303	2.2
307.04764	3.4
320.05655	7.0
321.06436	35.8
322.07193	9.9
335.04355	2.5
349.06247	2.4
350.06711	100.0
350.16083	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50124	0.9
51.34436	0.9
52.08099	0.9
59.60880	1.1
63.91634	1.1
66.22803	1.2
75.81499	1.3
98.57411	1.2
104.84622	1.2
124.37743	1.1
131.04976	1.7
159.04460	13.3
162.01976	7.3
249.07991	1.8
250.08740	1.9
264.06766	2.2
265.07321	1.5
266.08273	1.2
292.06192	61.2
293.07001	27.0
294.07770	14.1
307.04782	2.5
320.05707	7.2
321.06494	35.2
322.07147	14.5
335.04346	1.4
343.21973	1.4
349.05878	4.7
350.06720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31652	0.2
57.21691	0.2
59.01382	0.5
59.47456	0.2
62.71056	0.2
71.01378	1.0
71.94180	0.2
74.43372	0.2
75.18829	0.2
85.02951	0.4
91.22342	0.2
95.04094	0.3
101.02425	0.3
116.05005	0.4
116.30179	0.3
118.80409	0.2
119.83104	0.2
126.60149	0.3
130.06593	0.5
132.65276	0.2
144.04547	100.0
152.77765	0.3
158.06085	1.6
161.04497	0.4
180.85167	0.3
186.05630	0.5
224.61745	0.2
306.09732	0.3
324.10901	2.0
350.08853	7.9
367.37781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31652	0.2
57.21691	0.2
59.01382	0.5
59.47456	0.2
62.71056	0.2
71.01378	1.0
71.94180	0.2
74.43372	0.2
75.18829	0.2
85.02951	0.4
91.22342	0.2
95.04094	0.3
101.02425	0.3
116.05005	0.4
116.30179	0.3
118.80409	0.2
119.83104	0.2
126.60149	0.3
130.06593	0.5
132.65276	0.2
144.04547	100.0
152.77765	0.3
158.06085	1.6
161.04497	0.4
180.85167	0.3
186.05630	0.5
224.61745	0.2
306.09732	0.3
324.10901	2.0
350.08853	7.9
367.37781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21612	0.5
58.02977	1.5
59.01382	21.0
62.76583	0.6
67.91359	0.6
71.01386	12.0
72.76102	0.6
73.02950	1.1
80.91420	0.6
83.01403	0.8
85.02942	2.7
87.00838	0.8
88.04010	0.9
89.02444	18.0
90.53671	0.7
101.02439	13.6
113.02451	6.7
114.09234	2.9
119.03510	5.6
119.44163	0.7
126.09251	7.9
128.07158	1.2
128.10822	0.8
132.42876	0.6
142.08740	14.7
170.08250	3.1
171.66219	0.7
172.09749	1.0
184.09773	2.8
185.49828	0.9
188.09311	44.9
201.47464	0.7
206.13419	0.7
230.10358	1.2
333.72067	0.7
350.11267	4.0
350.14612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49932	0.5
52.22943	0.6
55.01872	0.7
58.02978	1.4
59.01099	1.3
59.01382	22.5
71.01384	11.7
72.99322	1.0
73.02945	0.7
83.32090	0.7
85.02941	1.3
87.00864	0.7
89.02448	16.3
95.01385	0.8
101.02446	13.7
101.31512	0.7
113.02429	6.4
114.09251	2.6
119.03496	5.8
126.09243	7.9
128.07195	2.8
142.08731	16.7
144.04576	0.9
156.10234	1.2
170.08240	1.5
172.09798	2.7
177.42804	0.8
184.09784	2.7
188.09305	50.1
230.10373	0.8
350.14633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92425	62.7
60.30331	60.4
70.46909	71.8
70.50146	63.0
84.05849	76.4
94.04689	74.7
102.83437	69.1
106.26257	71.5
236.92732	91.0
251.41168	73.5
301.77588	78.0
350.20554	100.0
354.45221	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25898	67.1
66.30520	60.3
74.24514	64.8
75.35945	62.3
104.68220	63.4
220.87923	68.6
312.22784	100.0
315.85410	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
87.93331	85.0
129.05771	91.0
201.18671	90.8
294.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28393	45.9
59.01384	100.0
59.54982	37.2
63.37280	38.6
65.34362	43.1
106.29453	51.8
186.57196	63.2
203.22609	49.9
314.77319	48.5
350.16016	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2704
Annotation	Melophlin E
Peak:m/z	Relative Intensity
58.48068	0.4
59.28540	0.4
62.08096	0.4
88.04032	100.0
95.45651	0.5
101.20367	0.4
107.83953	0.5
108.47821	0.5
186.35530	0.5
194.79854	0.5
248.78246	0.4
260.69821	0.5
341.77057	0.5
350.27039	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94433	0.4
60.07246	0.4
65.59766	0.4
73.48668	0.4
78.94028	0.4
84.14111	0.5
96.95995	0.7
100.35161	0.5
104.17748	0.4
123.00873	4.3
138.03215	9.2
153.05571	5.6
159.04689	0.5
166.99837	8.5
182.02219	84.3
197.04572	100.0
294.19376	0.5
351.03955	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00822	0.5
59.01376	0.9
76.45244	0.5
79.78921	0.5
93.66566	0.5
93.72749	0.5
123.04509	19.8
123.06561	0.5
127.07703	0.6
138.62206	0.5
151.83917	0.5
153.05568	100.0
171.06709	0.7
315.10889	35.9
372.57318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53385	14.5
57.68640	11.2
59.01394	45.0
71.01379	14.9
89.87439	12.8
109.02942	13.1
119.03549	12.6
153.01930	100.0
183.04079	13.2
315.07407	15.1
351.08975	46.5
351.15054	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19319	0.4
56.57619	0.6
59.01381	0.9
81.62460	0.6
123.04509	20.8
124.72160	0.5
153.05571	100.0
182.51202	0.5
285.58807	0.9
315.10907	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.099
Annotation	(-)-Monorden E
Peak:m/z	Relative Intensity
51.55957	0.8
53.90136	0.9
56.90339	0.9
59.01371	2.2
85.56391	1.0
96.96004	27.0
107.11813	1.0
119.28708	1.2
133.01634	1.3
160.04004	10.6
167.09961	1.1
176.03555	2.6
177.01962	1.5
178.05130	1.6
182.42137	1.1
204.03041	25.4
217.03802	9.0
220.11287	5.1
238.08632	2.0
266.08252	10.7
271.22778	6.3
280.09821	29.3
281.08197	16.2
308.09320	100.0
337.46219	1.4
351.09915	89.7
351.18478	18.9
351.21942	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94405	0.8
59.01374	12.8
60.01979	0.7
66.27134	0.7
82.21223	0.8
99.74379	0.9
103.10816	0.9
117.03458	7.4
118.26678	0.9
121.81838	0.8
133.02946	1.2
134.03737	100.0
137.02518	0.9
145.82121	0.9
149.05029	1.0
149.06105	14.9
160.01637	5.0
173.04507	1.0
173.89532	0.9
175.04028	8.1
178.02722	8.8
189.95738	0.8
193.05064	91.8
196.57518	1.0
269.09155	0.8
290.68167	1.0
291.08786	21.2
293.84232	1.1
298.59866	1.0
302.06729	0.9
335.34320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74115	0.6
55.48249	0.7
59.01381	100.0
65.30548	0.7
71.01382	3.8
73.02940	0.7
85.02940	3.2
87.00858	0.9
87.49316	0.8
92.88673	0.7
99.31194	0.8
101.02418	5.5
113.02446	3.1
127.07643	0.8
144.04500	1.0
145.04997	1.1
153.05598	3.6
170.51508	1.0
193.07198	21.0
226.42986	0.9
345.73776	0.8
351.09152	1.5
351.13028	3.3
351.20184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1453
Annotation	Lambicin
Peak:m/z	Relative Intensity
54.69398	1.2
59.01381	8.0
71.05013	1.9
82.48923	1.1
83.05001	1.5
91.17956	1.1
95.01331	1.1
97.06581	1.3
108.02161	22.7
108.21285	1.3
109.31557	1.2
121.06577	1.8
122.57654	1.3
123.00873	21.3
123.04552	1.1
123.08189	2.0
124.01649	12.6
136.01662	23.5
150.03191	5.2
163.04012	7.0
163.11339	1.7
165.12804	1.4
171.10216	1.6
173.41455	1.3
177.05573	14.4
179.10701	1.5
185.11819	5.5
193.33792	1.2
219.10263	12.2
223.13338	1.5
275.12839	1.8
292.13162	22.5
307.15521	10.0
307.18878	1.7
315.19730	6.3
318.11069	6.3
333.13400	9.7
333.20703	1.6
351.14484	100.0
351.21072	14.2
361.02008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14835	16.0
51.46246	15.6
59.01387	100.0
63.42777	20.2
70.85161	22.2
96.96037	60.0
141.95430	21.1
191.80812	19.8
235.09660	23.6
351.14667	25.8
351.21912	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07566	0.9
59.01384	100.0
71.01380	46.2
71.01779	1.4
72.23881	1.0
73.02931	1.8
80.28313	1.1
83.01382	1.5
83.39222	1.0
85.02931	10.2
87.00858	1.3
89.02435	62.2
95.01374	4.7
101.02441	31.8
112.60865	1.0
113.02435	26.2
119.02709	1.1
119.03490	21.8
121.40123	0.9
131.03430	1.6
139.57576	1.0
143.03477	2.0
161.04556	2.1
171.10271	97.0
179.05640	13.5
189.11311	4.8
216.72310	1.2
306.51709	1.2
351.16623	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24481	0.5
58.71684	0.6
59.01375	4.5
59.77305	0.6
62.59053	0.6
92.23092	1.3
96.96001	100.0
107.08651	0.6
113.09715	0.7
151.07518	1.1
179.10785	0.8
181.12248	0.6
202.24179	0.8
225.22249	1.5
253.21677	1.3
271.22821	5.6
313.23767	2.6
333.20673	1.0
351.18393	44.9
351.21890	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27628	0.3
56.88921	0.3
59.01381	0.8
64.86224	0.3
72.45301	0.4
79.95712	3.6
80.96508	0.8
94.98079	11.4
96.96003	100.0
220.87227	0.4
333.20938	0.8
351.18436	24.2
351.22198	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
65.86743	0.4
69.92249	0.5
75.40755	0.5
79.95742	2.8
90.04509	0.5
94.98094	6.8
96.96006	100.0
109.74068	0.5
146.54070	0.6
197.11713	0.6
216.77173	0.5
333.20721	1.1
333.24353	14.9
351.18445	25.4
351.22177	18.2
351.25610	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75766	0.6
58.97136	0.6
59.01374	4.1
60.96915	0.7
71.75470	0.7
94.62621	0.7
95.14524	0.7
96.96003	100.0
111.48054	0.7
119.66985	0.9
142.55122	0.7
225.22215	2.7
271.22787	6.4
293.17719	0.9
308.62076	0.9
326.19135	0.8
351.18405	44.6
351.21967	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93658	0.3
59.01378	1.8
59.34416	0.3
75.30224	0.4
79.95716	0.9
94.98071	2.6
95.03707	0.4
96.96004	100.0
97.25388	0.4
108.03195	0.4
137.86168	0.4
159.62688	0.4
225.02420	0.4
291.19644	0.8
333.24396	7.7
351.18491	26.3
351.22122	7.1
351.25595	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41928	0.4
59.01384	2.8
65.34093	0.5
79.95734	0.7
86.77454	0.4
96.96001	100.0
104.09815	0.5
109.06571	0.8
120.95358	0.5
124.12263	0.4
130.78937	0.5
135.74878	0.5
171.06511	0.5
171.68570	0.4
221.62128	0.5
225.22275	1.1
266.91232	0.5
271.22836	11.7
290.78195	0.5
307.19162	0.6
307.22620	0.5
313.23810	0.7
333.20224	0.6
351.18433	54.6
351.21826	3.4
374.08014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92471	0.6
59.01367	1.8
75.80186	0.7
89.65578	0.7
96.96003	100.0
100.32682	0.7
132.60173	0.9
182.02202	0.9
210.05666	0.8
255.79948	0.8
260.35733	0.9
271.22815	28.2
351.18430	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.1
67.89611	1.1
74.91947	1.1
92.22540	2.1
96.96004	100.0
100.15778	1.3
105.64436	1.3
114.98013	1.3
136.05318	1.4
151.07729	1.0
155.10747	1.2
174.53259	1.1
179.03830	1.4
185.11899	2.5
252.95267	1.2
259.60855	1.4
271.22800	33.4
351.18393	93.0
351.21899	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
60.25532	0.5
60.92132	0.6
61.65925	0.7
72.61528	0.9
81.49889	0.7
83.20550	0.6
83.24780	0.7
85.06592	1.0
89.94122	0.7
96.96004	100.0
113.09640	1.1
153.43263	0.7
157.09879	0.8
191.14391	0.9
225.22253	1.3
270.18381	0.7
271.22839	15.1
291.98694	1.0
307.19147	4.6
313.23795	0.7
333.20737	1.6
333.66022	0.8
351.03979	1.0
351.18436	62.8
351.21838	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02818	0.7
59.01384	100.0
59.04069	0.8
71.01402	0.8
73.02954	1.0
83.01404	0.9
101.01470	0.8
115.64133	0.9
128.11790	0.7
174.82378	0.8
291.18192	8.8
351.21664	0.8
368.01617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46229	0.6
58.31078	0.7
59.01381	16.9
59.01645	1.0
85.06602	1.1
96.95996	45.3
96.96571	1.7
112.20503	0.8
176.04247	0.9
183.14015	1.7
199.13486	5.1
203.59724	1.0
248.77155	0.9
251.20120	13.5
267.19635	1.4
269.21234	100.0
271.22870	2.0
299.69946	0.8
312.76361	0.8
351.18433	7.9
351.21844	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03987	1.0
59.01385	10.7
66.51565	0.9
93.89749	0.9
96.96019	1.8
106.79150	0.9
123.19003	0.9
269.21246	100.0
269.75040	1.0
278.18503	0.9
291.19418	36.3
351.21628	19.5
351.25372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2179
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
56.56990	0.7
59.01361	0.8
75.00867	100.0
107.00147	1.0
110.64330	0.8
121.10200	1.0
154.21021	0.8
171.10211	1.9
172.10559	1.3
183.10236	8.5
183.13892	10.3
185.11853	1.0
202.14450	1.0
207.17383	1.2
211.13181	2.7
275.20178	6.4
293.21268	35.9
295.22598	1.1
333.24408	14.5
351.17239	2.2
351.21567	42.5
351.25058	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2179
Annotation	PGK1
Peak:m/z	Relative Intensity
56.89728	0.3
59.01388	5.0
60.99306	0.7
96.95995	0.6
135.04492	0.5
171.10329	0.6
245.19086	3.0
273.18689	2.9
291.19992	0.5
333.20779	8.6
351.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.218
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
52.90614	0.2
59.01383	1.1
70.71992	0.3
71.07253	0.2
116.05050	1.1
133.02953	1.6
135.82552	0.3
135.83708	0.2
150.67952	0.3
173.04565	0.5
253.52322	0.3
275.20404	0.3
285.18823	0.3
287.20236	1.7
305.21219	3.2
307.22751	1.9
333.20786	1.4
349.20313	2.0
351.21805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.218
Annotation	PGK1
Peak:m/z	Relative Intensity
59.01379	6.8
81.20425	0.5
83.97767	0.6
86.19209	0.5
87.99371	0.5
96.96004	1.0
182.02338	0.8
197.04622	1.3
245.19154	4.0
273.18674	3.2
291.19601	0.6
333.20795	7.9
351.21820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00903	0.4
51.68167	0.4
54.17467	0.3
55.03825	0.3
58.22866	0.4
59.01374	0.9
61.09252	0.3
63.97876	0.3
64.79945	0.3
66.69375	0.4
66.87358	0.3
75.44940	0.4
77.84025	0.4
78.13142	0.4
79.95733	8.9
80.96516	0.9
94.98080	38.6
96.96009	10.7
121.99986	0.5
199.23633	0.4
243.91248	0.4
333.20990	4.0
333.24463	7.7
345.27914	0.4
351.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52278	0.7
55.47020	0.6
59.01374	1.5
62.06165	0.8
63.60382	0.7
73.83304	1.0
75.00861	2.0
86.79145	0.8
113.09669	1.0
165.09238	1.0
183.13826	3.2
185.11845	1.0
216.85965	0.8
253.18057	1.9
277.21719	3.5
287.02853	1.0
289.25397	3.4
293.21072	1.6
295.22736	1.7
315.23373	1.1
333.24387	100.0
341.16583	1.1
351.16956	11.3
351.25525	23.5
360.20926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21258	0.8
59.01376	1.3
61.10155	0.8
63.96288	0.8
79.78262	0.8
79.95731	9.6
80.96532	1.2
94.98083	29.6
96.95998	8.8
120.14471	0.9
165.09245	1.3
245.19067	1.5
289.25412	4.0
333.21423	4.5
333.24408	100.0
334.34482	0.9
351.22086	86.9
351.25626	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2544
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.03858	0.6
56.46405	0.6
60.57265	0.7
78.73515	0.8
137.09785	0.8
166.82965	0.7
217.15950	0.9
241.11694	0.8
245.19180	2.8
289.25351	5.4
299.64285	0.8
313.23907	0.9
329.18781	0.8
333.24405	100.0
351.25464	55.2
351.29941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34113	0.5
63.46991	0.5
68.13847	0.7
72.48814	0.5
106.39292	0.6
117.78416	0.6
121.99607	0.6
133.51080	0.6
165.09253	0.8
169.52046	0.7
210.17804	0.6
217.16043	0.8
245.19038	2.9
289.25485	5.5
315.23264	1.3
333.24411	100.0
351.25436	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2545
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
58.02328	0.4
58.43330	0.4
59.01399	0.4
67.55050	0.4
71.64808	0.4
104.76792	0.4
111.03475	0.5
119.80631	0.3
137.06099	0.8
137.09708	0.7
165.12796	0.6
209.37099	0.5
217.15988	0.9
245.19049	1.9
255.41644	0.4
289.25406	3.7
307.26468	1.1
315.23376	0.8
333.24390	100.0
351.25439	36.5
359.08200	0.4
367.86954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
58.29756	0.5
68.40508	0.5
109.78224	0.5
110.90823	0.5
133.02975	1.3
137.06004	0.6
177.40800	0.5
204.03668	0.5
217.15977	1.0
232.24812	0.6
235.16910	0.6
245.19035	1.3
255.23253	0.9
282.24390	1.0
289.25452	4.8
297.54385	0.6
307.26599	0.7
315.23236	0.7
324.25537	1.2
333.24390	100.0
351.25464	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89153	0.6
55.98007	0.7
59.01373	4.3
72.43181	0.8
78.96631	0.8
95.83153	0.8
96.96008	64.9
137.09775	0.7
141.12979	0.8
160.41142	0.8
160.80869	0.7
169.12280	1.4
189.24387	0.8
194.60713	0.8
203.35019	0.8
245.19093	1.2
251.20248	5.8
269.21246	20.7
289.25327	4.5
307.26447	1.0
314.98102	0.9
333.24390	100.0
351.18277	14.2
351.21851	7.0
351.25436	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28104	1.0
59.01381	5.7
61.11512	1.0
72.58933	0.9
96.95998	1.9
108.19395	1.1
137.06088	1.1
167.14539	1.2
179.03860	2.2
234.48541	1.1
245.18906	1.2
267.18900	2.2
289.25439	2.3
299.16522	1.5
315.23312	1.1
333.24377	100.0
351.21677	4.6
351.25461	45.8
361.76804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44707	0.4
58.23403	0.4
59.01387	0.6
67.64059	0.4
70.30446	0.3
89.02456	0.5
124.02043	0.4
143.87875	0.4
268.10608	0.4
279.23315	100.0
352.64981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
59.48500	1.7
60.55150	1.7
62.91838	1.8
71.01367	2.5
75.00871	7.5
75.88095	2.3
80.70063	1.7
81.09901	2.1
96.96006	2.3
97.06583	8.5
137.09705	2.5
171.10225	4.7
211.13431	10.1
229.31541	1.9
288.92758	2.1
289.25244	2.6
333.24384	100.0
351.21664	3.2
351.25491	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84149	0.7
63.37647	0.6
65.12731	0.9
71.01379	9.0
73.57193	0.9
83.50934	0.7
88.78324	0.8
89.02442	58.7
96.97416	1.0
129.24033	0.8
142.50116	0.7
150.30849	0.8
181.33693	0.8
228.63531	0.8
279.23322	100.0
347.62610	1.0
351.25531	13.2
360.83026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21274	1.0
58.82026	1.2
58.88042	1.2
59.01376	3.3
71.50835	1.2
75.00861	1.5
76.31633	1.2
77.66659	1.2
94.19907	1.3
110.36957	1.3
135.23698	1.2
151.11243	2.7
187.67995	1.5
199.13405	27.6
199.42503	1.4
218.84802	1.3
223.38655	1.3
289.25430	2.3
321.24451	1.8
333.24396	78.0
351.25446	100.0
363.98480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71149	0.7
59.01377	1.2
71.02495	6.1
83.16385	0.7
96.00903	54.9
98.95602	0.9
103.66598	0.7
107.09782	0.7
109.46652	0.7
113.03556	11.6
204.94809	0.8
237.85945	0.7
254.24918	29.7
269.67923	0.8
280.26425	15.1
298.23822	0.8
308.26080	0.9
351.26581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97025	1.1
56.97799	1.1
58.81671	1.0
59.01370	1.6
61.68179	1.2
71.02494	6.5
83.59579	1.3
88.04089	1.2
88.87830	1.5
96.00910	45.0
113.03561	9.9
154.72012	1.2
219.55528	1.2
240.50945	1.4
254.24883	24.8
280.26501	14.2
319.22815	2.2
351.26465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	8.7
59.01379	3.3
65.73981	0.8
98.43495	0.7
134.32759	0.8
147.90425	0.8
165.12823	4.0
170.15497	4.2
180.13988	10.7
181.12318	4.6
198.15016	21.5
203.43542	1.0
252.23264	2.1
264.23337	1.5
297.06418	0.8
305.26129	11.6
306.24338	1.1
315.19565	0.9
315.24399	1.9
316.22723	1.1
333.25568	11.3
351.22284	4.6
351.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	8.1
59.01371	4.9
65.95376	0.8
68.35426	0.8
85.10567	1.0
88.54023	0.9
96.96017	1.5
103.26597	1.0
111.81021	1.1
137.09708	6.3
142.12373	1.8
170.11873	7.2
198.18690	1.2
208.17052	5.1
209.15558	2.3
226.18233	7.3
252.23268	2.3
264.23291	1.2
305.26028	10.3
315.24487	4.6
316.22668	2.0
333.25418	11.3
334.23975	1.5
340.27359	1.1
351.22491	3.8
351.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3271
Annotation	11,15,19-trimethyl-5Z-eicosenoic acid
Peak:m/z	Relative Intensity
57.10541	0.5
74.32975	0.5
183.76746	0.6
188.66994	0.7
214.54276	0.7
248.16150	0.6
351.32709	100.0
360.05258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.083
Annotation	3,4-Dioxosarcocapnidine
Peak:m/z	Relative Intensity
59.01370	2.2
73.89240	1.4
84.90002	1.3
96.95988	2.7
105.33244	1.2
150.46437	1.1
162.35062	1.3
209.19151	2.9
210.05698	1.5
216.16298	1.4
229.42035	1.3
236.03503	2.9
237.04330	6.9
238.05077	1.5
250.05078	1.4
253.18158	5.7
265.03784	36.6
266.04572	35.9
270.20721	9.8
278.04486	8.9
292.18997	34.3
294.04102	41.5
322.03610	100.0
337.05984	23.9
341.83197	1.3
352.08310	89.2
352.18805	2.9
352.24893	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31757	0.9
51.65730	0.9
52.14384	1.0
56.77177	1.0
56.81366	1.0
64.53844	1.1
68.99837	1.4
95.05023	1.4
105.86039	1.2
107.05042	1.6
108.02161	7.2
119.05023	2.4
121.89302	1.3
122.03735	8.6
123.04510	28.6
136.01640	9.9
144.04640	1.8
147.04483	2.1
151.04012	35.3
160.04126	4.0
160.07733	1.5
176.03487	2.1
177.11043	1.2
226.08704	1.6
238.08807	1.7
248.07365	1.7
250.08667	2.0
265.07483	1.9
266.46954	1.6
266.94189	1.5
276.06589	2.0
279.06625	2.4
293.06989	1.5
294.07486	3.0
306.07751	1.4
323.95697	1.2
324.08801	100.0
352.08313	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64779	0.4
59.88668	0.4
63.06638	0.5
123.04520	0.5
179.03819	0.7
182.97003	0.6
206.06116	2.5
220.04005	16.7
221.05681	0.5
221.94777	0.5
226.44153	0.5
234.05621	0.7
235.06393	24.1
236.03592	5.5
248.03531	60.9
250.08771	5.3
263.05893	28.6
278.08234	100.0
279.05539	0.6
280.02597	1.2
294.07596	3.5
308.09357	0.9
324.08868	1.9
352.08276	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79987	0.7
96.63570	0.8
280.06067	1.3
294.04468	1.3
294.23749	0.9
308.05701	33.8
309.06366	6.7
322.03619	14.9
323.08060	4.4
336.01126	1.6
336.05206	60.4
337.05972	100.0
351.07449	3.4
352.08328	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23204	1.1
56.38148	1.3
57.21688	1.2
68.99824	1.8
95.05000	2.9
105.03413	1.8
108.02143	10.9
108.54392	1.3
112.07124	1.5
119.04996	10.8
121.02953	2.0
122.03732	9.5
123.04517	43.0
127.79211	1.4
131.56711	1.3
136.01636	13.7
146.06113	2.0
147.03377	1.5
147.04492	8.3
151.04007	40.8
160.04037	3.3
160.07613	2.3
174.05571	1.9
176.03532	5.5
220.97549	1.4
250.08682	5.4
251.07256	1.7
265.07333	2.2
276.06842	3.0
277.07471	2.1
278.08359	6.4
279.06641	2.8
294.07828	5.6
295.06107	5.6
296.09155	2.7
324.08798	100.0
337.02380	6.3
337.06085	2.0
352.04172	3.8
352.08304	92.2
352.22073	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84588	1.1
59.01379	13.5
71.01382	7.4
73.02930	2.6
85.02934	1.7
88.39117	1.3
89.02418	1.6
101.02435	6.2
111.88966	1.2
130.06589	7.5
142.06616	7.7
144.04550	13.6
144.08212	18.6
145.05368	1.6
146.06117	73.3
156.08217	1.5
158.06122	1.3
160.07668	27.5
161.78415	1.3
170.06061	11.3
174.09135	2.3
184.07605	1.8
186.05591	7.9
188.07176	36.1
190.05170	4.7
206.08212	2.9
211.22112	1.4
211.40804	1.2
218.08276	5.0
219.98784	1.3
232.06136	2.1
308.11407	5.8
352.10406	100.0
367.58517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1041
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.04812	1.3
53.11632	1.2
54.08455	1.4
59.01391	11.5
71.01376	10.4
73.02939	2.4
74.91964	1.8
85.02956	3.4
93.61610	1.9
101.02427	10.3
113.02419	2.2
119.03486	1.8
130.06624	6.5
142.06595	5.9
144.04538	12.5
144.08189	20.1
145.05348	3.0
146.06125	69.0
158.06128	3.6
160.07701	20.5
161.04491	2.8
170.06142	11.8
174.09332	1.9
177.57217	1.7
186.05602	10.3
188.07172	43.0
190.05133	2.6
206.08165	3.2
218.08240	2.7
266.47757	1.8
308.11362	2.6
347.57779	2.2
352.10413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18144	1.5
59.01369	12.3
71.01375	10.9
73.02936	3.3
78.25246	1.3
85.02916	2.2
89.02453	3.4
92.23204	1.4
99.00835	1.5
101.02435	10.0
105.40952	1.7
113.02440	2.0
128.55309	1.4
130.06596	9.9
142.06601	9.6
144.04547	13.5
144.08168	27.3
146.06117	92.0
158.06116	3.0
160.07675	28.4
161.04570	2.1
170.06151	14.0
174.09270	3.1
186.05655	10.7
188.07193	39.2
190.05159	6.8
206.08257	2.3
218.08240	2.3
232.03777	1.3
232.06131	7.0
308.11337	2.1
339.89276	1.5
352.10388	100.0
352.16968	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.104
Annotation	5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE
Peak:m/z	Relative Intensity
56.58130	1.7
59.01377	11.2
71.01382	10.6
85.02943	4.0
89.02444	2.5
89.40862	2.2
101.02412	3.7
109.78982	1.6
109.84763	1.7
130.06622	7.7
142.06616	3.5
144.04544	9.7
144.08188	17.6
145.05338	3.6
146.06110	68.9
160.07674	25.0
170.06108	11.6
180.96710	2.0
186.05580	4.7
188.07173	32.4
190.05165	2.5
218.08229	3.2
308.11661	3.7
352.10419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78382	0.6
65.49507	0.7
65.65211	0.7
86.69174	0.7
103.11204	0.7
103.36752	0.7
106.71552	0.8
110.97200	0.8
160.87172	0.9
225.72052	0.9
279.05417	1.7
294.07816	1.6
294.26321	0.9
307.04886	66.5
322.07220	100.0
337.06470	1.3
337.09579	41.8
352.11948	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79056	0.4
53.31696	0.5
54.85873	0.4
72.02522	0.5
77.11971	0.4
78.31842	0.4
174.81256	0.5
188.03596	2.8
279.05353	2.9
280.06213	0.9
294.07825	1.9
307.04907	26.3
308.09305	0.6
322.07233	100.0
337.09607	16.4
352.05115	9.6
352.11908	52.1
352.18240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1769
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
50.43433	0.4
51.45481	0.4
51.81675	0.4
58.02963	2.3
58.79456	0.5
59.01376	0.9
60.11361	0.5
60.31922	0.6
81.03473	0.7
95.05012	0.8
95.59489	0.6
109.06600	0.5
110.09700	0.9
114.00043	0.6
123.04563	0.8
126.09988	0.5
128.10812	11.9
130.08728	100.0
134.03738	3.4
135.04099	1.1
135.08180	0.8
153.99263	0.6
154.08707	2.4
172.09752	3.3
184.14369	0.5
193.05014	1.1
194.05408	3.1
202.74974	0.6
246.18642	0.9
278.04669	1.0
281.85303	0.7
292.09143	0.6
296.71835	0.6
308.18643	5.4
334.16592	4.3
352.08389	3.0
352.17691	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57909	2.1
57.67665	2.3
59.01387	3.6
71.05007	3.3
73.61698	2.4
109.06598	14.7
111.04522	5.7
117.31878	2.6
127.07633	4.7
166.74016	3.3
167.10730	5.3
195.13916	5.1
245.19107	10.8
286.54709	2.9
287.16840	3.3
289.18143	100.0
307.19101	25.4
352.21423	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69532	0.4
58.75209	0.4
67.63717	0.5
79.95760	2.0
93.29358	0.5
95.95211	0.6
96.96004	55.9
101.36019	0.5
106.14989	0.5
138.57001	0.5
152.00287	1.2
187.64456	0.5
193.87677	0.6
308.19080	3.0
352.21692	100.0
371.30466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73854	0.2
59.99250	0.2
64.02305	0.2
64.94658	0.3
65.64355	0.2
66.26823	0.2
70.38764	0.2
73.73347	0.3
95.11561	0.3
113.78574	0.2
114.09237	1.4
116.07169	100.0
126.09232	0.5
141.78264	0.3
160.75809	0.3
172.05922	0.4
193.45193	0.3
228.11191	0.3
237.22310	0.6
252.23308	0.3
294.43588	0.3
308.29642	5.0
352.28604	75.5
356.72687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73545	0.4
52.41043	0.4
54.99965	0.4
56.93599	0.4
60.89386	0.6
62.08736	0.5
73.51894	0.5
88.04035	100.0
117.40424	0.5
132.23207	0.6
145.04445	0.6
157.78535	0.6
254.22012	0.8
275.01370	0.6
352.28619	51.7
359.01035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0307
Annotation	BM 2419-1
Peak:m/z	Relative Intensity
51.18869	0.9
55.15147	1.0
59.01378	5.1
67.88851	1.2
86.91557	1.1
96.95962	2.2
107.37405	1.1
107.98827	1.2
108.43154	1.2
124.84425	1.1
130.37306	1.1
177.06961	1.2
187.09773	1.7
191.05640	4.7
210.03227	2.6
214.02618	8.9
225.39790	1.2
226.99890	13.1
230.99374	5.8
238.02708	28.3
242.02103	1.3
247.10889	1.2
254.99345	40.0
266.02200	28.1
278.99307	2.2
282.05362	1.8
282.98798	6.1
283.01822	1.5
294.01715	5.2
294.98840	4.6
309.00461	1.5
309.04099	6.1
310.01306	8.7
310.04498	1.6
322.98334	9.6
325.04031	1.4
338.00735	55.2
338.04309	3.1
353.02982	100.0
353.06790	62.7
353.16177	9.4
353.19907	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39544	0.3
56.45346	0.3
57.03442	1.6
59.01376	2.4
62.22793	0.3
67.01881	0.7
70.02965	0.5
71.01383	0.8
84.12520	0.3
85.02940	0.7
87.00872	4.8
89.02451	1.4
94.25799	0.4
96.45847	0.3
101.02441	0.7
111.00874	100.0
112.56614	0.3
114.01938	4.7
122.26361	0.3
134.06105	1.6
146.06149	1.5
147.06483	1.7
152.07146	0.4
154.99861	0.6
173.00923	13.6
175.05130	1.6
177.06712	3.0
189.07574	0.5
191.05614	1.5
195.07816	0.4
238.08363	2.0
238.58676	0.3
262.09723	0.4
353.07251	8.7
353.10999	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54784	0.4
52.94666	0.3
54.46011	0.3
55.10957	0.4
57.03455	1.0
57.65165	0.5
59.01378	2.5
67.01888	1.7
70.02985	1.0
71.01369	0.5
75.57592	0.4
85.02941	0.5
87.00879	4.4
89.02460	1.0
97.04134	0.5
111.00875	100.0
114.01266	0.4
114.01962	4.0
114.24985	0.4
134.06165	1.7
135.04550	1.1
152.07172	0.4
154.99928	0.5
164.07195	0.6
173.00902	14.4
173.02412	0.6
173.04469	0.5
174.91510	0.5
175.05208	1.9
177.06699	4.5
178.43651	0.5
179.03513	0.9
191.05656	2.4
195.07826	1.1
203.45827	0.5
210.83528	0.5
223.87520	0.5
238.08336	2.9
353.07034	9.0
353.11160	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
59.01385	9.3
60.54476	1.3
71.01384	6.6
73.02951	12.0
75.00882	16.2
84.74093	1.5
85.02946	43.6
85.03429	2.5
87.00874	100.0
89.02432	8.5
95.01360	2.2
99.00893	2.0
103.04025	1.9
111.00880	3.6
113.02453	7.9
115.00368	8.2
129.01935	19.2
129.43533	1.6
135.04517	2.5
137.02480	1.5
157.01436	16.6
161.02477	2.1
173.04585	2.5
175.02481	20.0
177.04092	14.0
179.03484	2.8
191.05655	12.3
195.05112	53.6
327.77515	1.9
353.07285	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.52571	0.2
59.01375	0.3
67.35415	0.3
68.27183	0.2
71.46429	0.2
78.75041	0.3
85.02953	2.0
87.00859	0.4
90.96210	0.2
93.03465	0.7
109.02923	0.3
111.04515	0.4
127.03937	0.3
133.02951	0.3
135.04530	2.8
137.02435	0.3
160.33638	0.3
161.02417	1.9
173.04529	4.8
179.03534	3.9
191.05627	100.0
222.02245	0.3
353.08777	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
71.84199	0.5
85.02960	2.5
93.03462	1.1
103.48100	0.5
111.04519	0.8
123.87750	0.6
127.04011	0.5
134.58937	0.5
135.04564	4.7
155.03563	0.6
161.02422	2.5
173.04601	7.3
179.03560	4.8
191.05635	100.0
197.48256	0.5
201.11687	0.5
266.06168	0.5
292.56763	0.6
353.08826	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08152	1.2
55.58839	1.1
58.58978	1.1
67.01926	1.3
71.01397	2.5
93.03461	17.0
111.04503	3.4
135.04529	70.1
137.02434	5.8
155.03535	6.9
157.37589	1.5
161.02502	4.6
173.04550	100.0
179.03508	64.4
179.04744	1.4
191.05635	73.5
197.04657	2.0
206.02261	2.1
220.57724	1.4
235.78175	1.3
309.05719	1.5
353.05069	2.2
353.08865	38.5
355.52097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48847	1.2
60.95137	1.2
73.14803	1.2
75.56436	1.2
85.02945	3.1
93.03451	20.0
111.04512	3.2
124.79565	1.4
126.34595	1.3
135.04527	65.0
137.02460	6.5
155.03539	5.3
161.02472	6.4
173.04543	100.0
179.03510	63.7
191.05626	76.1
353.08798	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95631	0.6
58.93573	0.5
59.01384	0.6
67.01887	0.6
70.66367	0.6
71.01366	0.8
81.38623	0.6
85.02950	2.9
93.03471	5.3
107.38120	0.6
111.04507	3.1
135.03609	1.2
135.04533	17.2
137.02483	0.7
141.78304	0.6
155.03568	0.9
161.02463	2.9
173.04555	28.0
179.03517	18.5
191.05634	100.0
196.18617	0.6
231.54387	0.7
233.52261	0.7
309.68277	0.6
353.08813	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28304	0.5
52.95541	0.5
56.41835	0.5
59.01367	1.4
60.54693	0.4
60.99301	0.6
67.01884	2.2
71.01366	3.6
85.02937	4.3
87.00861	1.1
93.03439	16.8
111.00838	0.6
111.04520	5.8
134.03632	0.7
135.04526	59.8
137.02461	6.8
155.03505	5.1
161.02473	4.4
173.04547	100.0
179.03499	65.8
191.05627	75.2
194.55530	0.6
198.38809	0.6
306.76352	0.6
340.84622	0.6
349.92508	0.6
353.08810	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52781	0.3
73.14793	0.3
83.03378	0.3
85.02944	2.7
89.53691	0.3
93.03448	0.8
94.23329	0.4
100.19940	0.3
127.03984	1.5
135.04530	0.4
161.02394	0.8
173.04601	0.4
179.03508	0.6
189.92302	0.4
191.05626	100.0
257.85648	0.4
353.08777	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.48151	1.0
70.46111	1.1
85.02951	2.2
86.56478	1.2
89.50637	1.2
93.03469	14.6
111.04545	5.9
112.83578	1.3
135.04524	60.9
137.02449	5.3
155.03479	8.8
161.02422	2.9
173.04555	100.0
179.03506	67.1
191.04013	2.4
191.05637	55.5
199.11623	1.4
319.30072	1.6
353.08817	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35057	0.5
65.03013	0.6
76.06786	0.6
85.02940	1.2
93.03458	1.0
93.16666	0.6
111.04485	0.7
118.63644	0.6
134.03723	1.2
135.04526	49.5
136.33334	0.6
140.96657	0.7
149.26047	0.6
155.03502	1.4
161.02446	3.9
162.84769	0.7
173.04539	3.7
179.03503	52.2
191.05629	100.0
198.68829	0.6
216.44879	0.8
248.04332	0.7
279.43170	0.7
353.08798	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28009	0.8
85.02950	2.0
111.04508	1.8
135.04529	54.4
147.98564	0.9
152.13982	1.1
155.03510	1.5
161.02448	3.9
164.13127	1.0
173.04568	3.7
179.03502	56.0
191.05629	100.0
227.75548	0.8
328.00232	0.8
353.04462	1.7
353.08795	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09429	1.0
51.72710	1.3
53.68088	1.2
53.91602	1.3
65.64582	1.6
67.01868	2.4
67.66454	1.3
69.07608	1.5
85.02939	3.1
93.03468	12.4
95.01433	1.6
101.65807	1.6
111.04529	2.8
117.83547	1.7
135.03485	2.8
135.04524	68.4
137.02449	7.5
155.03502	6.7
161.02455	6.1
173.04552	100.0
179.03503	71.2
191.05634	73.9
191.07410	2.4
215.64429	1.5
223.81279	1.7
353.08832	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
56.12498	0.5
59.01367	1.3
59.33085	0.6
67.01904	1.5
71.01372	1.3
77.97263	0.6
81.53104	0.8
85.02927	4.1
90.30389	0.7
93.03450	18.6
111.00873	0.7
111.04544	5.2
127.04012	0.8
133.03004	0.7
134.03772	0.9
135.04527	61.4
135.80263	0.7
137.02400	6.0
155.03517	6.3
161.02448	4.5
166.04604	0.7
173.04549	100.0
173.43770	0.8
179.03508	66.7
191.05630	74.9
231.99350	0.6
353.08801	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50033	0.5
59.01381	6.8
61.57394	0.6
64.26006	0.6
67.01362	0.6
67.73962	0.6
71.01377	0.7
71.01957	0.6
83.45451	0.7
85.02943	1.6
89.02442	0.9
93.03451	5.5
103.95638	0.8
111.04581	1.2
135.04517	13.2
137.02516	1.0
139.48236	0.7
161.02443	3.5
161.04123	0.7
166.30145	0.7
173.04565	16.9
176.01102	1.2
179.03494	12.9
182.71588	0.6
191.05629	100.0
191.50206	0.8
246.02234	0.7
335.72253	0.9
353.08640	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53232	1.0
53.90237	0.9
59.01361	1.2
68.36768	1.5
71.01355	2.2
85.02950	2.9
88.91415	1.2
93.03448	19.9
111.04537	9.0
118.04990	1.2
121.38228	1.2
135.04526	60.9
137.02440	6.2
155.03473	5.2
161.02469	2.7
173.04550	100.0
175.57130	1.3
179.03510	72.3
191.05630	62.7
191.07364	1.6
353.08795	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92910	1.4
55.62067	1.8
59.01382	3.3
62.76673	1.6
75.17925	1.5
85.02944	3.2
93.03445	18.3
111.04502	3.0
120.97009	1.8
128.87898	1.7
134.14101	2.0
135.04520	57.8
137.02478	4.0
147.04529	2.0
155.03514	3.5
161.02486	4.2
173.04536	100.0
179.03513	67.8
191.05641	78.7
191.07396	3.2
318.00198	1.9
318.20007	1.8
353.08771	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25939	1.9
55.01881	12.9
59.01382	3.8
65.18409	2.0
75.00870	9.0
85.02940	2.6
97.70461	2.3
99.56803	1.9
103.53022	2.0
120.82515	2.1
129.01947	18.0
135.04524	4.8
149.02460	20.3
164.04782	69.0
173.04573	5.5
175.00340	3.9
179.03546	3.4
179.07140	19.5
190.02721	93.9
191.05640	30.4
205.05077	100.0
208.03821	2.3
222.18211	2.2
223.06128	73.4
232.07417	3.4
253.43480	2.6
328.54977	2.3
353.08841	75.4
353.12909	2.7
353.15759	2.7
353.19745	3.1
362.04819	2.4
371.72498	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1035
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
55.03908	1.1
59.01369	8.4
63.92554	1.3
67.98297	1.3
71.66903	1.3
74.38380	1.2
78.95918	18.4
80.98647	1.5
90.19591	1.3
95.48482	1.3
96.96922	1.6
122.41447	1.7
122.87327	1.4
135.04536	2.1
139.02663	1.6
145.02901	1.6
152.99582	51.5
160.28566	1.5
173.04475	1.5
179.03564	2.2
179.49045	1.5
191.05595	8.1
199.13445	2.2
223.07614	1.9
233.06108	2.8
234.06972	1.9
235.07626	5.4
251.07155	18.6
262.06281	2.7
263.07187	17.6
264.08026	10.1
275.85446	1.5
279.06662	54.6
282.08939	5.9
293.08209	2.0
294.09042	11.6
295.06158	33.2
307.06107	18.4
309.07910	1.6
310.08459	6.1
322.08472	14.0
323.05670	80.2
323.09030	2.9
337.07321	2.1
338.08038	29.4
353.10269	100.0
353.13812	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30634	0.9
59.01377	16.3
67.01868	1.2
71.01368	11.5
73.02934	1.7
78.95912	3.3
87.00887	1.5
89.02442	9.9
93.03455	26.0
95.75861	0.9
97.78493	1.0
99.04524	1.3
99.09438	1.0
101.02425	7.1
111.04504	8.6
111.19675	1.1
113.02425	3.9
119.03487	1.9
137.02472	8.3
155.03532	7.5
157.09744	0.9
164.99582	1.3
173.04562	65.0
178.96104	1.5
179.05768	0.9
191.05653	6.0
211.00142	5.1
211.95508	1.2
212.98042	1.2
254.99170	4.1
263.00208	7.1
274.46045	1.1
278.20697	0.9
292.99301	1.1
352.99951	6.6
353.10947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.4
64.13440	1.1
71.01379	12.6
71.88917	1.2
73.02943	15.8
73.82928	1.0
82.24171	1.2
83.05009	4.8
89.02446	18.1
93.03452	37.6
96.93713	1.4
99.00874	9.7
99.04514	5.4
100.18326	1.2
101.02421	6.1
107.86083	1.1
111.04531	22.8
112.99812	1.2
113.02415	2.3
119.03490	1.4
129.01924	2.5
137.02438	19.1
143.03481	5.5
145.35115	1.2
155.03488	9.3
156.63918	1.1
173.04547	100.0
179.05634	11.4
191.05649	1.9
253.72481	1.2
353.10956	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81250	1.0
55.80541	1.1
59.01384	15.4
66.19206	1.1
69.97386	1.3
71.01380	13.4
73.02946	19.6
83.05035	2.6
85.02959	2.1
89.02444	17.6
91.80687	1.3
93.03450	33.0
99.00880	5.5
99.04521	5.7
111.04505	22.8
113.02427	6.6
115.59074	1.4
119.03502	1.5
135.57808	1.2
137.02451	15.0
143.03493	4.8
144.59712	1.2
145.09776	1.4
155.03528	10.7
161.04541	1.9
173.04552	100.0
179.05643	12.1
191.37877	1.5
217.35843	1.4
236.60136	1.2
310.52151	1.3
328.62225	1.2
339.68527	1.5
353.10977	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.3
64.18346	1.0
69.03483	1.1
70.79556	1.1
75.77281	1.0
80.45438	1.0
86.13643	1.1
87.41966	1.1
91.84631	1.1
94.73030	1.0
105.65829	1.2
141.09192	4.7
152.99557	2.2
160.04063	2.2
160.40161	1.1
173.04501	1.4
176.03506	9.2
177.04198	1.3
178.05083	10.8
191.05701	5.3
195.10300	2.4
199.13380	2.7
204.03001	4.9
219.05450	1.9
224.08556	1.6
237.07826	1.7
268.09756	2.2
269.21155	1.3
282.11377	45.7
283.09641	9.7
292.09875	16.3
295.19189	4.6
310.10886	100.0
317.21414	1.6
335.22147	2.0
353.11444	87.1
353.18112	11.2
353.23358	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1245
Annotation	Piptocarphin D
Peak:m/z	Relative Intensity
50.32843	0.8
54.93375	1.0
57.03444	0.9
59.01372	2.1
59.03031	0.8
60.37356	0.9
80.96530	4.6
87.00872	42.5
99.00877	17.5
111.04549	8.5
117.01923	24.1
120.58954	1.1
127.15586	1.3
135.04465	1.1
136.53505	1.1
152.99586	2.3
153.01942	1.7
153.05588	1.7
179.07056	1.5
190.02650	1.1
191.05695	3.9
205.05043	5.4
207.04073	1.0
219.06697	1.5
221.08066	8.5
227.29367	1.0
231.06532	8.3
232.03683	1.2
233.04518	1.4
246.09007	9.4
247.06166	7.9
248.06898	1.2
249.07774	5.4
258.09119	1.1
261.11359	2.0
262.08508	4.1
275.05624	2.0
277.10901	4.5
279.12454	5.7
305.10345	2.5
323.05688	1.2
353.12515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1373
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
59.01376	1.9
68.37022	0.4
78.95897	26.2
84.27570	0.5
88.91357	0.4
89.41718	0.4
92.23113	0.6
96.96946	5.2
120.82504	0.4
124.00570	0.5
135.04527	0.6
145.07758	0.5
150.98000	1.8
152.99585	100.0
154.04974	0.5
171.00652	3.9
173.52657	0.5
191.05627	4.6
196.06067	0.9
199.13451	4.3
235.13411	2.1
257.37402	0.5
291.16061	0.7
309.17276	0.6
323.04050	0.8
353.09161	1.2
353.13745	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36236	0.5
59.01382	0.7
71.48093	0.5
77.41278	0.5
78.95892	26.5
92.23121	0.9
96.96947	3.8
103.74778	0.6
124.03196	0.5
150.98051	1.3
152.99576	100.0
171.00645	4.0
187.66234	0.6
191.05519	4.0
199.13425	4.1
279.07681	0.5
294.62592	0.7
322.03320	0.6
323.03751	4.7
353.09360	1.5
353.13635	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
60.62254	0.7
84.93861	6.3
88.04025	4.0
89.04304	0.8
91.82059	0.7
99.92579	44.7
100.93348	13.8
115.92059	11.6
116.92850	85.9
125.66100	0.8
134.74660	0.7
144.00008	0.7
177.09291	0.8
191.05788	0.8
251.20392	1.0
309.15320	1.0
335.29608	1.6
353.14304	100.0
353.30753	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35441	0.5
56.17496	0.5
59.01382	11.1
66.91126	0.5
71.01387	6.4
72.99291	1.4
75.00867	64.9
80.04576	0.6
85.02949	3.8
87.00865	0.9
88.00694	0.5
89.02425	14.0
93.03436	3.9
93.18449	0.6
100.85025	0.5
101.02445	3.9
101.21104	0.6
111.00854	1.3
111.04499	1.0
113.02457	1.1
116.10281	0.6
119.03493	1.4
135.04535	6.9
155.03450	0.7
161.02438	2.3
173.04544	10.3
173.08287	1.9
179.03525	6.6
179.04929	0.9
191.05630	100.0
234.27747	0.6
234.96608	0.6
304.98865	0.7
312.34006	0.6
353.09003	7.3
353.14563	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
68.87868	0.8
71.01385	6.8
72.01707	0.9
72.99300	4.0
73.71365	1.0
75.00865	100.0
85.02938	1.6
89.02440	31.4
99.04494	2.2
101.02449	5.3
103.09688	0.8
111.00867	1.2
113.02396	2.0
117.14207	0.9
119.03481	2.0
134.91971	0.9
135.04510	5.6
143.03465	1.6
144.03873	1.1
153.91301	0.9
162.27505	0.9
173.04520	3.3
173.08151	1.6
179.03508	5.6
191.05630	52.2
191.07384	1.8
199.24744	0.8
203.43480	0.9
293.07169	2.0
353.09244	9.4
353.14563	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
59.58938	0.5
71.01383	6.9
73.02943	2.8
77.10229	0.5
85.02929	2.4
92.22385	0.5
99.00848	0.6
101.02428	5.5
113.02450	3.2
124.32035	0.6
124.51628	0.6
135.04523	42.2
136.05287	3.0
142.56738	0.6
147.04564	2.2
148.05319	1.2
160.05293	0.6
161.04594	7.0
164.04807	2.6
173.09694	3.3
176.08449	0.7
181.41641	0.6
189.09244	1.1
190.10008	100.0
191.05661	2.6
191.10788	39.5
203.10866	1.1
205.08687	0.9
205.12408	0.6
215.10814	0.6
218.09488	0.7
233.11797	5.9
245.11833	2.3
260.33572	0.6
353.16031	4.5
373.98486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31300	1.2
56.37488	1.0
57.03448	1.3
59.01381	6.6
62.44814	1.0
63.93996	0.9
67.54817	1.0
69.03436	1.1
71.01381	8.1
73.02957	1.7
83.05013	1.2
88.41935	1.2
93.03454	2.5
97.02941	21.9
97.06594	4.5
108.02187	1.8
111.04535	1.0
115.07617	2.1
122.03741	1.2
123.08197	1.9
125.09782	2.0
135.04527	9.2
151.07623	1.8
163.11223	1.9
173.04562	7.4
179.03514	9.3
179.14435	4.7
179.34189	1.2
185.11823	4.3
191.05647	21.1
205.12384	2.2
211.13484	1.3
211.81671	1.1
219.10292	5.2
223.13406	100.0
237.11334	10.7
265.18082	1.5
267.12399	98.2
281.17661	4.8
292.05447	1.2
321.06146	1.5
321.17188	1.2
335.18634	4.3
338.06323	2.4
353.09012	10.5
353.16071	27.1
353.19766	8.8
353.23404	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
67.68462	0.4
79.95738	2.6
92.23116	0.4
96.96001	41.3
105.70044	0.4
122.97565	3.1
124.56699	0.4
166.15109	0.4
182.20122	0.4
196.52185	0.5
220.47737	0.4
271.64575	0.4
279.61230	0.4
293.21228	0.7
353.20059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37059	0.4
53.98493	0.4
59.01382	0.6
59.09990	0.4
70.13039	0.4
79.95748	2.6
94.98054	0.6
95.95171	0.5
96.96004	43.6
122.97584	4.5
125.81124	0.4
191.05637	1.8
210.95074	0.4
246.63098	0.4
293.21240	1.0
315.25742	0.7
343.37576	0.4
353.20090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
71.19570	0.4
79.95738	2.4
95.62110	0.4
96.96002	43.6
117.51167	0.5
122.97558	2.2
140.96658	0.4
169.84505	0.4
197.64307	0.5
200.32118	0.4
252.68982	0.4
353.20056	100.0
363.80695	0.4
375.88141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42879	0.3
65.56837	0.3
79.95736	2.3
94.98124	0.5
95.95238	0.3
96.96006	48.1
122.97578	4.3
135.04565	0.5
171.10258	1.6
191.05620	5.6
293.21362	0.6
353.20078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74829	0.4
59.01382	0.7
62.94973	0.4
68.74395	0.4
79.95732	1.9
80.98318	0.4
87.51018	0.5
91.80878	0.4
92.22408	0.5
96.96001	42.9
122.97562	3.3
124.98583	0.5
137.09697	2.5
149.19124	0.4
151.07616	3.1
153.09210	7.0
153.12817	0.9
197.11894	0.7
199.13402	37.9
216.35255	0.5
305.12491	0.5
335.22360	1.9
353.20023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57198	0.3
58.54679	0.3
59.01387	0.4
79.95731	2.2
80.96565	0.5
81.12168	0.3
87.99209	0.3
94.98051	0.5
95.95210	0.5
96.96001	40.1
100.30506	0.4
108.69073	0.4
109.46427	0.3
114.93824	0.4
118.13760	0.4
122.97562	2.6
123.86578	0.4
124.87893	0.4
158.16168	0.4
165.05400	0.4
171.10228	1.0
264.61078	0.4
276.82547	0.4
302.15369	0.6
314.43735	0.4
351.43646	0.5
353.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2086
Annotation	roscovitine
Peak:m/z	Relative Intensity
57.03445	5.9
58.02973	3.7
58.56191	1.4
59.01374	6.9
66.01366	1.4
67.53444	1.4
76.65127	1.4
90.02230	1.3
93.03464	8.9
96.95985	2.4
97.02877	2.1
111.08151	10.0
134.92921	1.5
135.04538	15.4
137.02454	11.2
137.09726	3.1
144.09303	1.6
152.10794	22.6
156.34242	1.5
170.11865	68.5
173.04544	16.4
179.03543	12.2
190.02692	3.2
191.05647	30.8
202.00627	1.5
205.05060	6.1
250.18179	1.8
291.20657	3.6
309.21890	12.4
313.55200	1.8
335.19724	3.0
353.09024	16.7
353.16467	3.6
353.20828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97856	0.4
57.23003	0.4
58.06551	0.4
58.08192	0.3
59.01376	0.8
74.00072	0.5
87.00864	2.4
105.56966	0.4
113.07786	0.5
159.04469	0.8
163.11266	0.6
177.09154	0.5
187.03995	3.4
187.07657	1.1
188.08453	2.1
197.09702	2.9
201.09267	1.8
213.09207	1.6
215.07224	0.6
227.07100	2.3
229.08693	2.0
239.14436	2.5
241.08710	21.1
256.14624	0.4
259.47336	0.5
269.11917	0.8
270.16260	6.3
282.16275	5.8
283.13385	8.8
284.14047	1.0
296.14261	3.4
297.18713	0.9
298.15698	0.7
302.15253	1.1
309.15088	1.0
310.15762	9.2
310.19434	5.5
325.21811	3.0
330.14786	0.8
353.21243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2126
Annotation	Guayulin B
Peak:m/z	Relative Intensity
58.12055	0.4
109.44728	0.5
163.11287	64.0
177.09209	59.0
178.12497	0.5
185.97659	0.6
277.46902	0.5
336.25470	0.6
353.21249	100.0
361.99878	0.6
362.32501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66775	0.4
50.74754	0.5
62.01276	0.6
67.34843	0.5
68.18948	0.5
75.41833	0.5
85.98454	0.5
104.96447	0.6
113.54184	0.6
191.05637	0.9
209.29909	0.6
223.20674	1.2
225.22253	61.9
244.64059	0.5
253.21785	1.2
271.22806	100.0
353.23203	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2338
Annotation	15-keto-PGF1alpha
Peak:m/z	Relative Intensity
51.54760	1.8
55.67214	1.6
57.03186	2.0
57.03448	20.2
59.01388	18.9
63.14835	1.8
71.05016	8.3
73.02953	2.9
74.67651	2.1
78.95890	9.0
79.05537	12.6
81.07111	11.5
83.05022	100.0
85.02953	4.8
86.73293	2.1
87.04523	17.1
95.05032	16.5
96.95998	5.1
97.02930	3.4
97.05965	3.9
97.06582	92.4
107.04996	2.8
107.20110	2.1
109.06591	10.3
111.08156	13.9
123.08160	9.9
131.13525	2.4
133.10260	3.9
135.04523	11.2
135.08182	20.9
137.06088	2.5
137.09700	8.2
138.06841	5.3
139.07632	3.9
147.08127	15.5
149.09789	3.5
151.11275	19.0
152.99574	26.8
153.09201	3.2
161.09651	2.5
163.11256	3.6
165.09216	22.7
172.72781	2.4
173.04597	8.6
175.11360	2.6
177.09151	2.8
179.03491	9.1
179.10765	2.8
181.12296	2.7
191.05632	21.8
195.10306	3.3
199.13452	4.9
199.20041	2.5
211.13474	9.2
217.15962	2.3
217.61258	2.2
237.15018	11.0
259.16977	3.6
277.18176	3.0
295.19135	2.9
305.21283	2.4
317.21295	17.6
335.22546	4.1
353.08740	10.1
353.13303	11.1
353.19727	11.9
353.23392	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2337
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
55.56595	1.3
57.03447	7.6
59.01387	17.4
59.35167	1.8
64.40400	1.5
71.05006	2.3
73.02939	2.0
75.00829	1.7
79.05537	8.3
81.07101	8.5
83.05023	100.0
84.93916	1.7
85.02910	2.1
85.06596	2.8
87.00866	7.7
87.04516	10.0
88.19904	1.6
93.03442	3.4
95.05025	3.3
96.96023	2.4
97.06585	68.5
99.04543	2.2
101.53582	1.8
109.02962	2.0
109.06583	3.3
111.08118	2.5
113.06087	1.7
123.04547	1.6
123.08137	3.7
125.06060	2.2
130.08691	17.6
131.09052	7.3
132.83226	2.0
133.10280	2.9
135.04521	7.9
135.08159	2.9
137.09813	2.0
143.07114	1.9
143.19997	1.9
149.09721	7.9
151.11276	9.0
152.52075	1.6
163.11241	3.8
167.10831	1.6
173.04599	8.0
179.03479	7.5
191.05653	15.8
199.13441	2.6
208.11032	3.0
223.16940	3.2
231.33887	2.2
293.21219	6.8
317.21216	6.3
335.22516	3.3
353.08643	4.0
353.19385	28.9
353.23419	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71218	0.5
59.01374	1.0
65.46323	0.5
67.24829	0.5
72.99294	1.1
75.00866	100.0
78.35266	0.6
83.74852	0.5
101.69673	0.6
106.95175	0.5
110.97861	0.6
111.70839	0.5
133.91818	0.7
134.28877	0.7
150.09079	0.6
183.48190	0.6
191.05687	0.7
271.22705	0.9
277.21671	3.8
295.22867	3.6
353.23322	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2337
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
52.07609	1.2
59.01358	6.7
66.95759	1.1
69.79041	1.2
70.43191	1.0
98.25121	1.3
98.91266	1.2
137.09720	13.7
158.96729	1.3
171.10098	1.2
183.32108	1.3
191.05472	1.9
197.11728	1.8
263.23709	3.0
273.22153	2.9
291.20151	1.4
291.23306	28.1
307.22842	22.3
317.21173	4.3
328.41827	1.5
335.21872	14.8
335.25555	29.5
353.23087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2337
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
56.82164	0.9
59.01379	10.7
71.26729	0.9
78.39790	0.8
85.02924	1.2
95.79295	1.0
135.04532	6.5
173.04459	1.0
179.03474	9.7
189.07414	0.9
191.05608	16.4
245.19144	3.7
265.01590	1.1
270.01505	1.0
273.18604	24.3
275.20410	1.0
293.21249	75.4
353.08875	7.6
353.23370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2341
Annotation	Aikupikoxide B
Peak:m/z	Relative Intensity
52.45696	1.1
54.22799	1.0
59.01372	1.7
59.29269	1.1
61.16235	1.2
63.26288	1.0
63.59562	1.0
75.00867	100.0
96.95963	1.2
98.95615	5.7
114.49605	1.3
135.04523	2.3
146.64104	1.3
157.89622	1.2
171.10294	19.1
173.04590	2.8
177.59245	1.4
179.03467	1.5
183.10254	5.7
191.05652	6.1
216.66675	1.7
236.53700	1.5
277.21729	23.1
295.22836	37.6
353.08917	1.8
353.18661	8.9
353.23212	52.0
353.27350	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27710	0.4
53.02651	0.4
54.83218	0.4
57.12779	0.5
58.02982	7.4
59.01370	2.3
70.02966	0.9
94.31304	0.5
96.95991	0.6
102.46336	0.5
111.11958	0.5
139.11247	1.8
145.97856	0.5
191.05586	3.7
238.21812	4.1
249.22296	1.0
250.21785	2.5
274.21930	0.6
291.24478	12.6
292.22836	9.4
323.04089	0.5
335.23233	0.7
336.21777	4.9
336.93527	0.5
337.05765	0.5
353.24506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	10.1
61.58626	0.6
72.39584	0.7
125.09705	1.3
173.94382	0.7
191.05542	1.1
238.21794	4.5
249.22220	1.3
250.21783	2.7
291.24496	12.9
292.22806	10.0
308.05801	0.8
335.22714	0.9
336.21921	1.6
353.24481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.27
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76214	0.8
57.21703	1.0
58.24844	1.1
63.36640	0.9
80.83100	1.1
99.36401	1.0
148.68588	1.1
153.80243	1.1
162.76129	1.2
167.83626	1.1
193.14983	1.1
255.23309	100.0
306.39996	1.1
353.20004	1.3
367.97290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19192	0.5
51.51606	0.5
57.49049	0.5
58.03893	0.6
59.01371	0.7
61.40702	0.6
62.30247	0.5
62.41621	0.6
71.01377	10.8
71.46283	0.6
89.02437	48.3
125.31133	0.6
158.06142	0.7
163.00813	0.6
186.22624	0.7
191.05696	0.7
257.23465	0.7
280.23874	0.7
281.24878	100.0
353.19955	0.8
353.27057	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3064
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
60.45840	0.7
87.70943	0.7
181.34508	0.9
210.65509	0.7
305.28461	0.8
307.30081	89.2
335.29593	2.8
353.30624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0621
Annotation	Aristolochic acid III methyl ester
Peak:m/z	Relative Intensity
54.03031	0.6
55.34589	0.5
61.91497	0.6
64.24409	0.5
66.00403	0.5
76.48902	0.6
91.01896	4.0
92.23196	0.7
109.02950	25.5
117.03444	3.6
121.59859	0.7
134.02484	18.2
135.00905	6.5
147.04526	1.2
152.03539	3.8
153.01926	6.1
162.01950	6.5
165.02209	1.1
166.02615	0.7
178.99847	1.6
190.05122	30.9
191.03510	3.7
218.04605	5.1
236.07422	0.8
264.06796	0.8
279.29813	0.6
280.06195	1.6
282.07901	0.8
290.08038	0.8
292.06305	3.6
295.05005	1.1
310.07263	5.2
311.05707	4.0
326.06760	12.7
354.06256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60779	1.5
53.49574	1.6
55.72188	1.7
59.01368	2.2
72.69636	1.8
79.83585	1.8
117.03427	13.5
126.14685	2.1
131.29269	2.1
170.76624	1.9
181.05362	2.3
182.06250	3.3
183.06958	2.2
192.06642	3.6
194.06146	15.0
194.55504	2.0
196.07701	26.2
200.07201	2.9
206.06152	2.8
206.90244	1.9
208.04123	4.3
209.04829	8.3
210.05667	19.8
211.06519	2.6
212.07222	36.1
222.05605	12.6
224.07193	90.7
225.04318	2.6
225.08014	12.6
226.05228	3.3
226.08777	8.5
228.06586	2.6
236.07037	2.7
238.05246	14.2
252.06700	4.5
254.04591	3.8
254.08234	100.0
268.06244	25.5
272.09262	3.8
282.07718	34.0
295.04877	51.3
298.07266	8.1
326.06683	7.3
354.05765	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0624
Annotation	Aristolochic acid III methyl ester
Peak:m/z	Relative Intensity
50.38327	0.6
54.57164	0.6
92.23159	0.8
93.80516	0.7
107.01390	5.4
107.69666	0.7
119.01402	1.2
135.00906	6.3
162.01953	17.1
163.00374	100.0
171.10481	0.8
190.05151	9.7
257.99875	0.9
263.20660	0.8
310.07162	1.4
324.05188	1.4
354.06235	60.5
354.10065	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58051	0.6
53.95646	0.6
68.09022	0.7
71.24736	0.6
83.60135	0.7
93.74523	0.9
104.06399	0.8
107.50284	0.7
116.05055	100.0
119.99422	0.8
146.40436	0.8
167.06143	14.3
171.82866	0.9
193.04099	20.2
252.60710	0.9
282.10425	1.1
283.08603	1.6
292.08945	1.3
310.09906	99.6
354.08920	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13534	0.5
50.61203	0.7
59.01353	0.5
60.00166	0.5
60.99221	0.5
66.96224	0.7
67.13985	0.6
68.82133	0.6
69.64171	0.6
77.07802	0.6
85.02950	3.1
86.03318	1.1
93.03449	1.3
127.04000	1.0
128.04341	0.9
135.04538	1.4
136.04837	1.5
138.93060	0.6
161.02333	0.7
162.02795	0.7
173.04555	4.2
174.04834	2.4
179.03470	1.3
180.03836	2.6
191.05627	100.0
192.05968	78.8
214.04947	0.8
299.60486	0.7
354.09103	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34698	2.0
52.50518	1.6
58.54448	1.8
58.64763	2.1
67.01880	2.2
71.01414	2.0
73.97131	2.1
83.66676	1.9
85.02938	4.3
87.00783	2.6
93.03432	23.4
94.03781	9.6
111.04545	10.3
135.04532	59.5
136.04848	59.5
137.02405	2.8
138.02843	3.4
155.03485	4.5
156.03845	4.0
162.02759	2.9
173.04544	100.0
174.04892	94.7
179.03499	60.5
180.03854	73.0
185.24866	2.4
191.05630	68.1
192.05997	57.3
211.61401	2.5
354.09155	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
90.60289	1.5
96.68532	1.6
100.15376	1.5
110.00155	2.2
121.83781	1.4
122.93563	1.7
123.00876	36.5
138.03224	45.4
139.00342	1.8
144.04543	6.3
151.00371	40.9
153.01950	2.6
153.05580	10.8
166.02718	32.7
170.43349	1.7
172.03970	2.9
181.05078	23.4
201.92041	2.0
262.05557	1.8
267.05362	6.9
268.05978	2.4
278.04623	3.7
294.04120	3.1
296.05734	13.3
322.03601	2.3
324.05243	15.7
324.08823	10.6
339.07419	10.4
352.08380	1.9
354.09897	100.0
354.23352	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21112	0.6
50.21380	0.6
53.31129	0.6
62.50160	0.7
77.90991	0.8
86.13056	0.7
89.03995	0.8
96.77557	0.8
108.04521	1.2
116.03307	0.8
117.02706	0.9
117.03464	13.8
119.05025	3.5
120.04534	0.7
123.00880	5.3
123.04456	1.4
136.04037	5.0
145.02959	1.4
146.02478	1.2
159.03163	1.1
160.04027	4.7
172.04015	0.9
175.02751	7.6
179.07158	1.1
180.06688	1.8
181.05101	1.5
188.03537	22.6
191.02185	2.9
191.89430	0.9
204.02902	1.6
206.04596	8.9
213.65639	0.9
234.05687	1.7
235.06403	3.5
248.07127	1.2
252.06648	4.0
262.05106	1.1
262.63449	0.9
278.04688	1.0
280.06073	3.4
280.09369	0.9
296.05707	3.2
306.04044	7.5
310.07202	3.9
323.04425	1.5
324.01736	1.3
324.05191	20.1
338.06622	8.3
339.07495	1.8
354.09866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62492	0.6
56.51306	0.5
56.77420	0.6
58.04091	0.5
66.37575	0.6
79.53323	0.6
90.61433	0.8
90.76683	0.7
92.23144	0.8
97.59103	0.7
111.66351	0.8
114.59592	0.7
124.70937	0.7
150.59944	0.7
152.10870	0.7
223.69406	0.7
223.89185	0.7
278.04535	3.8
295.04846	3.9
296.05655	5.2
306.04083	28.5
307.05035	1.0
310.07275	1.4
320.05637	1.2
321.06421	4.7
324.05157	100.0
336.08817	1.0
338.06805	0.9
338.25897	0.9
339.07501	12.2
354.09848	75.9
354.20959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0987
Annotation	Papraine
Peak:m/z	Relative Intensity
67.34676	1.1
68.10893	1.4
99.72192	1.5
109.02928	1.5
123.04517	2.9
134.03746	19.9
136.01677	6.4
149.06075	17.4
159.03217	3.3
160.04025	9.4
166.87253	1.5
174.05568	3.1
175.02725	1.7
175.06308	1.6
176.03522	11.4
178.04610	1.3
190.01483	21.1
192.79427	1.5
237.07904	2.0
264.06659	5.7
265.07446	8.8
266.08310	5.9
278.04633	2.6
280.06049	2.9
281.04092	1.9
281.06931	13.0
282.07773	28.3
283.08521	2.6
284.69885	1.6
292.06119	5.6
293.06891	14.7
294.07761	2.6
306.03983	5.6
310.07285	59.6
311.08011	15.8
321.06519	3.6
324.05313	3.5
326.10364	92.4
339.07590	3.2
354.09869	100.0
354.24695	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0987
Annotation	Papraine
Peak:m/z	Relative Intensity
50.11463	0.7
60.48185	0.6
60.60328	0.6
76.72237	0.8
99.09241	0.8
130.08759	5.7
152.07217	3.0
250.05099	0.9
252.06667	2.9
265.01334	1.3
265.03845	4.6
268.06360	1.2
268.12296	0.7
278.04617	8.5
280.06161	3.3
292.06433	1.0
293.06985	4.5
295.05072	1.3
295.08386	1.3
296.05655	16.5
307.70764	0.8
311.08054	3.3
324.05173	56.4
338.06976	0.9
339.07513	71.4
354.09857	100.0
354.19510	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66311	1.3
51.17241	1.1
54.01216	1.3
57.03449	1.4
69.03445	1.3
71.01427	1.5
72.00916	6.6
72.98932	2.8
72.99309	40.4
75.34045	1.2
83.52020	1.4
85.02948	43.7
89.02459	2.1
91.05550	2.6
97.02925	3.4
103.28515	2.4
112.04069	2.2
113.02451	51.1
118.06635	25.7
124.04050	2.1
132.08203	2.0
142.06633	3.6
147.04526	37.7
150.04271	1.7
158.06122	1.5
162.82262	1.4
164.07181	100.0
186.09413	4.8
191.05753	1.5
192.06694	8.3
198.09247	3.7
206.02332	1.6
216.10327	7.2
248.09377	1.8
255.91241	1.5
260.09286	22.8
278.10349	16.7
322.09186	2.8
354.08408	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39431	0.9
55.42234	0.9
59.01381	61.5
100.06043	1.0
131.03764	4.3
132.04549	100.0
145.99048	1.0
160.04916	1.1
169.17746	1.1
200.87355	1.1
294.09912	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.135
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08469	4.2
86.98178	4.1
97.86588	4.1
131.42206	4.6
261.07953	9.6
263.09436	23.5
264.10364	8.6
276.10284	7.7
278.08292	31.8
292.09900	7.6
306.07794	100.0
306.11145	12.6
320.09369	7.6
321.09967	64.0
336.12476	91.5
354.13623	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15145	1.8
60.99350	1.6
63.75836	1.8
75.09647	1.7
96.39187	1.8
137.02443	3.4
142.06386	2.1
149.02393	4.6
153.20741	1.8
166.39314	1.7
178.07318	7.7
191.05890	3.1
239.59428	2.2
243.97047	2.0
267.06512	2.4
281.04620	3.2
295.06281	2.3
295.44653	2.5
296.06766	3.9
315.25162	2.3
324.08777	16.0
324.12286	2.2
339.11163	100.0
339.14749	5.3
342.72757	2.3
354.13556	85.5
354.17102	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48362	0.8
76.86671	0.9
85.19454	0.9
111.86407	0.9
234.09213	1.0
261.07965	11.3
262.08704	4.2
263.09637	12.0
276.06744	2.1
276.10315	8.6
278.08212	16.8
291.06219	1.1
291.09000	7.9
292.09863	4.9
306.07770	100.0
306.11292	9.2
308.12796	1.0
320.09351	2.0
321.06335	1.4
321.10068	39.5
336.12445	65.9
354.13577	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
85.52700	1.2
99.04971	1.3
100.17516	1.2
100.32307	1.1
118.03568	1.0
134.03735	4.7
136.05275	2.2
137.02441	4.6
148.01744	1.8
149.02466	6.5
159.21741	1.0
190.05185	1.2
219.67978	1.3
237.42505	1.2
253.05072	2.5
280.10028	1.5
281.04553	9.0
295.06287	4.6
296.06641	2.1
296.09412	4.8
309.07672	6.9
324.08746	18.5
324.12213	1.6
338.10248	1.9
339.11136	67.5
339.14465	3.7
339.47110	1.2
354.13531	100.0
354.17093	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27154	2.5
58.78138	3.4
61.23135	2.4
73.35979	2.7
91.62652	2.9
105.89032	3.3
261.07950	17.7
263.09531	18.8
264.10236	17.1
276.10217	25.1
277.07455	4.7
278.05377	2.9
278.08099	26.1
292.09793	18.0
293.10608	5.7
305.06973	4.0
306.07825	99.7
306.11401	16.1
320.09280	12.3
321.10123	76.8
336.12482	100.0
354.09543	4.8
354.13568	7.6
358.72156	3.0
368.98639	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82511	1.0
56.14294	1.1
60.59879	1.0
86.86492	1.1
100.51981	1.1
104.38541	1.2
124.89907	1.4
195.34357	1.6
246.80754	1.4
250.08893	1.9
261.07861	9.9
262.08777	4.9
263.09479	8.8
276.06650	2.9
276.10284	9.6
277.07281	3.0
278.08325	16.1
279.83868	1.3
291.09094	6.1
292.09760	4.8
293.10718	2.2
305.06952	1.5
306.07779	100.0
306.11346	9.5
321.06332	1.7
321.10083	37.4
336.08682	2.4
336.12488	61.7
354.13571	2.6
360.49133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22745	1.1
57.03450	1.7
69.87710	1.3
71.12591	1.1
97.06587	9.7
103.22925	1.1
123.08167	5.0
125.09715	83.1
125.10641	2.7
126.95110	1.2
140.10832	21.2
166.08810	2.2
169.08731	1.5
186.11282	8.9
187.09769	18.2
230.77148	1.3
241.18466	1.4
248.20255	2.8
267.19583	5.3
274.18069	2.1
292.19247	26.5
310.20291	100.0
354.19104	11.5
354.23547	7.0
367.16544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34326	2.0
58.64502	2.3
59.01387	2.6
69.08083	2.0
85.02954	3.2
89.06240	2.0
95.41412	2.0
97.06551	2.3
98.95596	2.4
103.10891	2.0
114.09233	5.3
115.07629	4.3
125.09700	3.3
127.07632	3.0
136.93465	2.1
171.10202	4.4
188.04118	2.2
194.11842	2.5
212.12923	81.0
213.68300	2.6
220.09659	2.9
238.10788	8.8
241.18205	2.5
244.23547	2.1
244.46707	2.4
250.59604	2.1
267.19635	2.2
278.18314	3.9
292.19238	29.1
296.19458	3.6
310.20273	100.0
354.14026	2.3
354.19183	12.6
354.23645	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39251	0.7
51.18114	0.6
54.37444	0.6
75.36179	0.7
82.02997	4.7
94.02953	0.8
107.90954	0.8
109.04066	1.2
112.04025	1.3
115.77279	0.8
123.06074	0.8
126.09222	1.7
127.05126	6.6
128.03503	1.1
130.08730	88.1
136.11304	4.0
150.05557	0.9
169.09776	4.5
174.50662	0.8
179.11835	5.6
180.10289	13.9
195.07730	1.1
195.11368	3.6
197.12955	13.2
199.18254	7.2
209.16603	3.8
212.90611	0.9
222.12489	3.5
223.10884	24.7
225.16174	0.8
253.14365	5.8
280.06329	1.2
292.20401	1.0
310.21384	8.0
354.20380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.67828	1.7
67.17475	1.5
67.82201	1.5
87.53926	1.9
89.56992	1.8
101.12911	1.9
130.39276	2.0
144.65305	1.7
194.13722	1.9
224.00781	2.1
227.41031	2.1
339.11099	2.2
354.23618	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
73.70092	1.6
77.53477	1.6
90.28053	1.5
113.96896	1.4
135.61548	1.6
142.91344	1.6
148.00983	1.5
156.44786	1.7
354.18448	2.2
354.22687	1.8
361.95850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08178	0.8
59.01384	100.0
62.60570	0.9
65.36198	0.9
67.87614	0.8
77.83546	0.9
84.68983	1.0
95.32238	1.0
190.96999	1.0
261.58548	1.1
261.92957	1.0
294.24490	1.1
304.35712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02794	1.2
61.73445	1.3
77.04769	1.5
84.04520	2.7
92.22565	2.9
102.05605	61.4
112.23328	1.5
160.24423	1.6
170.13513	1.8
186.37135	1.9
233.15645	1.4
239.23511	1.5
247.95157	1.6
268.26526	12.0
308.29398	2.6
310.31192	31.5
336.29068	8.3
354.09720	2.0
354.30161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29964	0.6
65.81742	0.5
88.08308	0.4
95.53548	0.5
116.07163	100.0
133.34225	0.5
220.48151	0.6
239.23776	0.7
310.31250	10.6
354.30173	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51522	1.0
53.84236	1.0
57.03448	9.9
59.01382	18.9
63.46989	1.0
70.54478	1.0
70.68428	1.0
71.01376	6.9
71.11406	1.0
73.02937	1.7
75.00867	1.4
83.01383	2.0
85.02944	100.0
87.00860	1.7
87.15751	1.2
89.02435	2.8
93.03448	4.6
101.02421	3.0
103.00311	1.3
109.02986	1.8
111.00881	6.8
113.02450	1.9
113.95485	1.3
115.86733	1.2
119.05003	7.6
121.02946	84.1
129.01923	7.3
133.01411	1.5
147.02989	9.9
155.03539	2.1
163.04059	2.2
173.04529	17.9
181.05061	50.3
191.02000	31.2
191.05586	9.3
209.03035	30.8
237.57387	1.4
355.06577	7.4
355.10370	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77771	1.0
55.38563	1.0
57.03450	10.4
59.01382	9.4
71.01366	2.3
75.00893	1.4
83.01349	1.5
84.02165	1.1
85.02946	100.0
87.00890	1.2
89.02460	1.4
91.33998	1.0
103.00372	2.0
111.00865	3.8
119.04997	1.7
129.01961	8.0
133.01443	1.7
134.03777	1.2
147.02986	7.1
163.04076	2.4
173.00925	1.2
191.01984	29.6
191.03650	1.6
193.05049	6.8
193.06689	1.1
203.04814	1.2
205.38680	1.1
209.03036	38.7
231.79613	1.1
240.78975	1.1
275.73651	1.1
355.06616	5.9
355.10428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0827
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
62.54867	1.1
64.58978	1.1
76.38845	1.1
93.95496	1.2
100.35155	1.2
120.43286	1.1
139.51649	1.2
149.16296	1.5
162.67162	1.3
207.78247	1.3
225.05627	5.3
253.05086	13.7
255.10280	2.1
269.04617	4.5
281.04556	2.7
281.08044	1.6
282.05280	1.7
283.09766	1.6
309.07852	6.7
311.09293	72.5
311.12878	2.7
325.49927	1.2
335.05621	7.3
337.07193	34.8
337.24380	1.3
355.08279	100.0
355.19919	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18752	1.7
50.29566	1.8
51.07500	1.5
54.16677	1.9
67.39255	2.1
69.03452	9.7
71.01326	2.4
74.90862	2.2
80.25025	2.3
82.81323	2.2
85.02943	10.6
93.03448	26.8
94.03784	9.5
111.04504	9.5
112.04839	2.2
112.08890	2.1
135.04517	82.0
136.04883	36.1
137.02432	3.4
137.05043	28.5
155.03523	4.4
157.03966	3.3
162.02747	2.7
173.04553	86.4
174.04897	53.3
175.05022	70.1
179.03513	55.6
180.03842	36.9
181.03999	55.4
191.05629	49.7
192.05957	36.2
193.06073	66.6
195.14413	2.5
223.95164	2.3
355.09387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32033	2.6
59.01375	16.3
62.39211	3.6
71.01379	5.7
82.28076	3.5
85.02938	5.9
89.02467	3.7
93.03466	26.9
94.03748	5.8
101.02402	5.6
107.96605	3.2
111.04488	7.6
112.26701	3.5
113.80557	3.7
134.03719	29.5
135.04521	90.9
136.04875	35.5
137.05098	24.6
149.06015	8.1
160.01636	19.0
173.04558	100.0
174.04871	60.5
175.03909	25.3
175.05182	82.4
176.04796	7.1
178.02760	5.4
179.03511	76.3
180.03819	42.2
181.03998	55.7
191.05620	45.8
191.07196	27.1
192.05986	33.0
193.04799	15.5
193.06087	44.0
217.05292	4.0
235.06128	19.8
265.07275	6.0
291.09097	4.0
295.08228	30.9
314.95792	3.3
353.40176	3.4
355.09387	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32033	2.6
59.01375	16.3
62.39211	3.6
71.01379	5.7
82.28076	3.5
85.02938	5.9
89.02467	3.7
93.03466	26.9
94.03748	5.8
101.02402	5.6
107.96605	3.2
111.04488	7.6
112.26701	3.5
113.80557	3.7
134.03719	29.5
135.04521	90.9
136.04875	35.5
137.05098	24.6
149.06015	8.1
160.01636	19.0
173.04558	100.0
174.04871	60.5
175.03909	25.3
175.05182	82.4
176.04796	7.1
178.02760	5.4
179.03511	76.3
180.03819	42.2
181.03998	55.7
191.05620	45.8
191.07196	27.1
192.05986	33.0
193.04799	15.5
193.06087	44.0
217.05292	4.0
235.06128	19.8
265.07275	6.0
291.09097	4.0
295.08228	30.9
314.95792	3.3
353.40176	3.4
355.09387	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
57.49884	2.0
59.01390	2.5
65.16013	2.0
69.03446	2.9
71.01358	2.7
85.02946	15.9
91.38973	2.2
93.03440	22.5
94.03783	2.6
96.78351	2.1
111.04534	4.7
135.04527	86.3
136.04871	33.7
137.02437	2.9
137.05052	25.2
163.02899	3.6
168.56609	2.2
173.04529	62.7
174.04893	42.6
175.05032	67.0
179.03526	60.9
180.03839	50.0
181.04010	61.1
191.05663	50.8
192.05986	42.8
193.06071	86.7
222.97894	2.3
349.12766	2.5
355.09396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76221	0.8
52.36876	0.9
57.03448	5.4
58.55303	1.1
59.01382	10.9
60.32192	0.8
60.35313	0.8
67.01886	1.8
70.75101	1.0
71.01379	2.3
83.29713	1.0
85.02950	54.2
87.00874	1.8
89.02425	1.4
93.03452	21.9
94.64788	1.0
111.00890	2.2
111.04517	5.8
119.05082	1.3
121.02937	38.5
129.01913	4.1
137.02457	1.6
145.02994	1.0
147.03012	2.1
155.03487	5.3
173.04550	100.0
181.05066	17.6
191.02026	12.4
191.05640	32.4
191.07117	1.1
209.03056	12.2
303.89868	1.2
337.09396	1.3
355.06680	3.9
355.10532	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
50.90239	0.6
50.96050	0.7
59.01374	1.2
59.24804	0.6
67.24098	0.6
71.92917	0.8
77.02564	0.7
86.59245	0.7
101.64983	0.8
108.08759	0.7
126.86990	0.7
134.03734	100.0
137.02429	1.6
149.06073	48.4
178.01552	0.7
178.02707	31.5
193.05058	92.2
325.08936	1.0
355.10214	3.0
355.14227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.56050	0.8
62.42007	0.7
65.25636	0.8
78.50091	0.8
134.03741	51.4
135.91257	0.8
137.02425	2.2
149.06085	27.7
178.02724	46.2
193.05069	100.0
215.76653	1.0
304.09680	1.0
326.74606	1.0
355.10327	4.1
355.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.43477	1.6
53.77472	1.8
56.82739	1.8
59.01381	34.4
59.45434	1.7
68.96772	1.8
71.01051	1.6
71.01362	14.3
78.10073	2.0
85.02937	2.6
85.55193	1.7
89.02435	13.3
89.41259	1.6
101.02438	11.9
101.11858	1.9
113.02434	2.8
132.02214	1.9
134.03745	76.2
139.19815	2.0
147.04381	2.4
148.05260	2.0
148.61787	1.9
149.06088	27.4
160.01662	33.9
163.07747	2.1
173.06024	2.5
175.03993	91.4
176.04799	27.2
177.01939	2.5
178.02747	14.2
191.07143	47.1
193.05061	100.0
202.02708	2.7
207.06645	9.1
217.05095	8.8
220.03664	3.5
235.06142	74.7
265.07217	51.9
293.85764	2.0
295.08258	86.2
321.45358	2.1
336.51685	2.2
355.06403	3.0
355.10355	15.7
369.04245	2.0
377.57141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
51.71715	2.2
59.01380	24.0
63.05569	2.2
71.01377	15.9
89.02419	15.0
95.09693	2.3
98.05279	2.3
101.02442	4.9
113.02455	4.9
134.03728	64.5
135.04582	2.7
148.05269	4.0
149.06084	27.9
160.01643	27.2
175.02582	4.2
175.04001	76.4
176.04800	26.3
178.02664	13.2
187.08095	2.3
191.07147	55.6
193.05063	100.0
193.06807	4.8
217.05081	5.2
220.03818	4.3
235.06113	85.3
265.07150	44.8
295.08215	81.0
307.08221	5.4
337.13000	10.5
355.10287	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
52.38734	0.4
57.23379	0.3
59.20393	0.4
62.42069	0.4
64.70252	0.4
64.98096	0.4
69.78510	0.4
73.12901	0.5
75.47770	0.4
169.84726	0.4
177.01955	7.1
178.02718	86.6
179.03368	0.7
192.04318	3.0
193.05066	100.0
340.11310	0.5
352.17133	0.5
355.10391	45.1
371.03836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
52.36441	0.5
53.61914	0.5
57.56490	0.6
59.01369	3.0
81.78789	0.6
83.71554	0.8
90.40190	0.5
91.10281	0.6
92.23164	1.1
94.25047	0.6
102.62228	0.6
107.88080	0.6
132.04555	1.3
132.15311	0.6
133.04842	1.2
134.03734	100.0
137.02452	2.5
149.06067	37.7
178.01241	1.3
178.02707	25.9
185.70219	0.9
193.05058	91.6
237.39380	0.7
247.75868	0.6
302.62152	0.7
310.31998	0.7
355.13745	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.66013	0.9
59.01373	6.9
71.01376	1.6
74.75336	0.8
80.99292	0.8
89.02434	3.6
93.49130	0.9
96.28078	0.7
98.73936	0.8
101.02422	1.1
134.03745	10.5
160.01657	49.3
175.04008	100.0
178.02730	1.0
193.05080	19.5
207.06680	1.0
217.05063	4.9
235.06111	3.2
295.08279	1.3
340.11707	0.9
355.10352	19.4
356.10135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60677	0.7
55.01882	10.8
59.01404	1.2
59.47353	0.7
59.52851	0.8
71.01373	1.5
72.99284	1.1
85.02943	3.8
89.02434	1.0
101.02446	1.1
103.05503	1.2
109.02940	1.1
111.00870	2.1
115.05542	0.8
129.01944	15.7
131.05022	4.8
133.06578	5.5
140.87407	1.0
147.02992	13.0
147.04501	1.3
149.06050	4.4
163.07684	1.5
173.04543	1.0
173.06088	3.3
192.04362	1.4
193.05112	1.0
207.06644	100.0
355.10236	18.7
355.17432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
51.17509	0.3
58.47355	0.4
59.01377	2.8
60.74899	0.3
66.77142	0.4
71.01379	5.1
73.02937	2.8
75.00851	0.9
85.02945	3.1
96.95975	0.4
97.22955	0.4
99.00892	0.7
101.02412	3.2
106.04238	2.4
111.00894	0.5
113.02424	2.0
123.04565	0.5
134.03738	100.0
149.02451	0.5
149.06075	37.2
151.03992	0.6
157.55971	0.5
161.04539	1.7
164.04823	0.8
178.02718	1.7
181.04869	0.4
192.94730	0.5
193.05066	12.2
197.04527	0.5
210.08961	0.6
223.06165	2.2
224.07608	0.6
297.03864	0.5
311.07346	1.8
355.06467	1.9
355.10437	17.2
355.13940	1.0
355.17142	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
50.86250	0.7
55.17795	0.8
58.32452	0.8
59.01381	0.9
67.73458	0.7
80.48586	0.7
82.19218	0.8
83.26689	0.9
92.22514	1.1
95.04975	1.0
97.06598	1.1
118.07456	0.8
118.45019	0.9
123.77534	1.0
125.09657	1.3
137.09767	0.8
139.07643	1.1
171.10344	0.9
209.11664	1.3
209.15411	1.4
210.07001	3.2
225.14955	1.5
229.74786	0.9
237.05499	1.0
237.11176	1.0
238.06369	2.1
241.08617	1.1
249.18535	1.3
253.04884	1.0
253.08900	1.6
253.14290	1.2
254.05750	4.4
257.04703	1.4
264.04132	1.1
265.05063	3.5
266.02310	1.3
266.05869	9.9
269.08273	1.6
275.16635	2.2
281.04807	2.1
281.08182	11.3
282.05417	8.2
293.04700	0.9
293.17700	5.2
295.06085	1.6
296.06876	2.1
297.07739	19.5
297.13342	1.9
309.07837	1.7
310.04852	19.1
311.18756	1.2
314.88940	1.0
319.15601	1.8
325.07199	100.0
326.29593	0.9
337.16656	1.8
340.05820	2.9
340.09555	20.8
352.15222	0.9
355.08466	5.2
355.11896	86.4
355.17551	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	(+)-Xanthoxylol
Peak:m/z	Relative Intensity
52.03145	1.1
52.21497	1.0
52.58241	1.3
59.01381	2.5
60.60036	1.3
62.05504	1.0
77.20704	1.2
78.11283	1.3
93.03423	1.8
99.33876	1.4
121.02950	60.4
125.09744	1.2
132.33655	1.6
143.90697	1.3
149.02440	100.0
152.99533	1.2
159.04489	1.5
161.06055	2.6
164.04802	11.3
171.10226	2.1
175.03979	2.4
191.07184	2.1
192.04240	3.0
193.05075	10.0
207.06639	7.0
221.05919	2.1
235.06091	2.2
263.07037	1.8
275.16446	1.7
279.06708	7.9
280.07468	2.6
281.08191	5.3
287.98334	1.4
291.06601	3.1
292.07422	9.9
293.08127	4.9
293.17715	2.0
296.06931	18.7
297.07718	13.9
308.06992	17.7
309.07727	2.9
311.09402	22.4
323.09225	13.9
325.06982	9.0
340.09537	26.4
355.07904	2.3
355.11945	55.4
355.17508	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Saucerneol G
Peak:m/z	Relative Intensity
59.01371	1.2
60.05898	1.0
60.32057	0.9
67.93327	1.0
72.99295	1.5
74.65282	0.9
84.93238	1.1
86.67402	1.0
96.78287	1.1
111.08179	1.4
121.06616	1.2
139.07660	8.3
147.04497	1.2
149.02408	1.3
150.98538	1.1
155.07127	7.3
157.82761	1.1
162.03253	11.3
165.93004	1.1
171.10266	1.5
175.04015	46.5
175.05525	1.8
176.04778	36.5
177.05540	8.7
179.03535	1.8
183.06680	6.4
189.05559	1.4
190.06358	34.0
197.04590	1.5
204.04257	14.4
208.03761	11.8
217.05046	13.3
218.05833	1.8
219.06606	10.5
222.05322	25.3
223.13348	1.3
225.14981	4.7
237.15062	1.1
249.18539	1.6
251.07076	1.3
251.16525	1.5
267.06778	3.6
269.13885	2.0
275.16559	2.1
277.40805	1.4
279.06699	5.1
281.08112	1.5
283.06116	4.3
291.06647	2.2
293.08121	1.9
293.17596	14.9
294.09009	1.7
295.06113	18.3
296.06854	2.8
297.13751	1.9
307.06134	23.2
310.08447	11.3
311.01907	2.3
311.09271	18.4
311.18732	1.4
322.08453	6.8
325.10791	12.2
337.10840	11.4
337.16852	2.6
340.09488	1.5
355.04599	4.9
355.11929	100.0
355.17520	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
55.39201	0.7
57.03452	1.4
59.01368	5.0
70.64891	0.9
71.05009	1.3
71.95207	0.9
83.98529	0.7
85.02953	3.5
97.02920	1.1
97.06562	1.6
99.00873	4.6
103.04036	1.2
108.02146	1.5
109.06578	1.2
123.04502	1.7
125.09731	3.3
129.05582	1.8
131.05043	2.0
148.77235	0.8
161.04744	1.0
161.06071	29.2
161.07352	1.6
163.11267	1.6
171.10400	1.2
175.03995	17.7
177.05547	1.7
179.14401	4.9
181.12354	5.9
183.10165	1.0
187.04028	1.8
187.09807	0.9
199.13405	7.0
205.05072	78.7
207.10271	9.8
209.11763	1.3
211.13374	1.0
219.06638	1.7
223.13438	4.9
225.11336	13.1
225.14929	3.3
228.24231	0.9
235.16841	0.9
237.14877	1.3
241.14441	5.1
243.12369	21.2
249.14949	1.1
251.16640	1.2
257.14017	1.2
260.69986	0.9
265.08682	1.6
265.17737	1.0
269.13800	1.9
293.17856	0.9
293.21152	3.4
295.15610	1.4
298.11072	0.9
309.07739	5.3
310.08456	14.4
311.22034	1.0
322.08685	1.7
325.10782	9.8
337.20285	5.1
340.05807	1.6
340.09543	18.6
355.11923	100.0
355.17194	5.8
355.21033	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93646	0.8
59.01365	1.2
60.45370	0.8
74.62688	1.0
111.04485	0.9
113.02444	94.8
116.71851	0.9
121.05149	0.9
125.02407	1.7
134.03770	1.5
151.07687	0.9
153.12872	1.6
175.04005	1.8
179.10793	4.0
185.11823	10.5
191.56351	0.9
193.05042	4.6
197.11844	98.1
235.06128	1.9
241.10832	100.0
265.07288	1.0
275.16531	1.0
293.17538	1.0
295.08218	3.5
311.15094	4.0
355.17664	4.6
375.37289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60805	0.5
61.63028	0.6
65.35391	0.6
84.93863	9.6
88.04024	2.8
99.92577	45.5
100.93363	16.7
113.59505	0.7
115.92059	16.2
116.92849	100.0
163.24265	0.7
225.22307	3.2
293.15680	0.8
311.16888	1.4
343.15616	1.0
355.15851	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1916
Annotation	Kuguacin M
Peak:m/z	Relative Intensity
51.31855	0.7
51.51887	0.8
58.62461	1.0
73.59010	0.9
74.53112	0.8
84.74305	0.9
87.61636	1.0
133.24623	1.0
159.04469	8.1
172.05264	1.1
173.06062	2.2
174.06857	22.2
185.06046	2.0
187.07623	5.6
188.08484	4.5
195.02454	1.0
199.07567	1.2
200.08379	6.5
210.57158	1.1
227.10869	0.9
231.06468	3.2
242.13081	13.3
243.06662	1.9
245.08128	1.1
253.08688	3.6
258.12436	1.1
269.11807	1.3
271.09668	5.5
278.10535	1.1
285.11469	1.8
286.11978	1.3
309.18744	1.1
311.16846	1.9
311.20193	14.7
327.19699	2.0
327.76828	1.1
336.98090	1.0
337.17932	1.8
355.19183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2239
Annotation	Arachidonyltrifluoromethane
Peak:m/z	Relative Intensity
51.16269	0.9
59.01363	2.1
63.96242	1.2
78.98597	9.4
79.17385	1.1
85.02937	1.8
97.06554	1.4
125.09713	2.1
128.07144	7.3
130.07773	2.1
130.08736	57.6
140.07199	1.9
168.09038	15.0
170.15543	1.3
180.13905	11.9
191.01927	1.2
197.16580	9.5
198.15009	1.4
199.18100	4.0
208.13403	1.8
213.14781	1.6
218.29530	1.3
224.12936	28.4
225.16125	15.0
233.80542	1.3
237.14944	4.6
247.79962	1.2
279.19504	1.5
293.22195	1.6
311.22720	2.4
355.22311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2243
Annotation	Arachidonyltrifluoromethane
Peak:m/z	Relative Intensity
51.67263	0.5
56.51070	0.5
57.03446	1.5
59.01398	0.7
61.96927	0.5
69.61932	0.5
75.96217	0.5
83.04993	0.7
97.06580	9.6
111.08140	4.4
123.08136	2.6
125.09712	86.1
127.79933	0.6
142.12416	0.7
167.11890	38.1
168.10240	1.3
169.08739	0.9
172.09776	3.7
181.13539	1.2
185.12947	12.4
186.11363	76.4
187.09738	2.8
262.77112	0.6
293.17651	0.9
355.18289	3.5
355.22412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	Dshamirone
Peak:m/z	Relative Intensity
57.28981	1.0
58.02977	1.8
59.15352	1.0
70.02967	2.0
84.92133	1.1
93.18594	1.3
96.00893	5.6
103.82464	1.2
113.03575	1.2
114.01936	6.6
122.81420	1.1
125.03195	1.3
131.04582	1.6
140.70740	1.3
147.08513	1.2
163.11285	85.4
179.10782	81.0
198.96208	1.4
240.23387	9.8
337.21613	6.4
337.24963	8.1
355.22638	100.0
355.26059	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2283
Annotation	Dshamirone
Peak:m/z	Relative Intensity
51.85107	1.4
52.72733	1.4
64.34270	1.4
68.80181	1.4
70.99633	1.3
76.18431	1.6
77.32881	1.3
101.40104	1.4
120.10927	1.5
163.11276	17.4
178.09990	8.6
179.09196	3.7
179.10777	100.0
191.10786	16.3
240.30438	1.8
283.26349	2.4
355.22800	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.42752	0.8
64.71439	0.9
73.71306	1.1
88.91008	1.1
98.47595	0.9
100.48714	1.0
118.38448	1.2
122.03706	5.0
135.04530	14.6
148.34166	1.1
161.09691	6.4
163.11261	24.5
164.08456	8.5
173.07851	1.2
177.09195	39.6
178.10008	8.2
179.10771	78.6
186.95490	1.1
191.10748	8.4
214.62108	1.1
277.96091	1.2
280.14795	2.1
298.15738	31.6
337.17706	1.9
337.21759	55.2
337.84140	1.4
340.20441	81.7
351.63266	1.2
355.22784	100.0
355.32172	2.1
359.64514	1.4
371.54758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2284
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
119.98785	0.3
134.06789	0.2
163.11272	1.6
177.76439	0.3
267.99832	0.3
280.14673	2.4
322.19598	0.5
325.87070	0.3
337.21783	100.0
355.22800	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49436	1.0
74.24110	0.8
74.55467	1.0
75.00868	100.0
81.05923	0.8
155.10777	9.9
171.10225	1.2
180.29926	0.9
183.20950	1.0
279.23325	9.7
297.21133	2.2
297.24365	64.5
344.87479	1.4
355.20093	10.7
355.24765	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66887	0.5
69.99244	0.5
70.47176	0.5
72.99311	0.6
75.00871	100.0
84.14038	0.5
85.02935	0.6
86.14484	0.6
89.43894	0.7
89.83160	0.5
90.47042	0.5
90.49590	0.6
92.62037	0.7
100.13568	0.5
103.20318	0.6
112.76371	0.5
117.98697	0.5
196.77795	0.7
209.78181	0.6
279.23349	5.9
295.22824	1.4
297.24313	2.9
338.96259	0.6
355.20386	1.2
355.24838	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08833	0.8
59.01382	100.0
59.81808	0.8
72.19762	0.8
74.54484	1.0
85.02956	1.8
92.18027	0.9
102.28793	1.0
168.85107	0.9
199.13425	3.8
239.16478	9.9
257.17572	1.8
277.22769	1.6
295.23953	6.7
355.21191	2.0
355.24979	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2858
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
56.66328	0.7
90.82484	0.8
163.95152	0.9
200.53664	0.9
206.32899	1.1
260.96808	0.9
261.58609	1.0
292.30676	1.0
293.28558	100.0
311.29532	3.4
331.00226	1.0
337.27539	31.4
355.28577	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2859
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.92884	0.6
57.03432	0.8
58.38698	0.7
62.17034	0.7
62.72887	0.7
78.23766	0.6
78.43465	0.8
135.78758	0.7
141.95544	0.8
163.78717	0.9
205.50072	0.7
277.25430	0.9
279.26953	100.0
323.25931	44.5
355.28528	58.4
355.32346	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.322
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
84.31367	0.5
84.71246	0.5
85.79177	0.5
157.57863	0.5
270.75323	0.6
307.30136	3.2
309.31656	81.7
313.33661	0.5
337.30957	2.0
355.32199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3221
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
59.01382	75.0
59.73670	0.8
61.74773	1.0
134.22870	1.1
149.58218	1.3
194.09778	1.0
213.10594	1.2
277.28204	1.1
281.28497	24.5
283.30072	4.3
310.17847	1.3
355.32239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3221
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
65.80927	0.3
98.11693	0.3
98.74509	0.4
102.25535	0.4
118.30495	0.3
309.31683	4.4
337.31207	1.6
353.30988	0.4
355.32214	100.0
357.06189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37105	0.8
57.73937	1.0
77.35638	1.1
89.68794	1.1
93.89209	0.9
133.77730	1.0
134.03741	80.4
135.04074	76.6
138.01744	1.0
138.05670	1.3
148.78062	1.1
149.06078	29.3
150.05261	2.0
150.06418	37.7
160.04041	54.3
178.02713	20.9
179.03047	25.6
191.05600	6.0
192.05986	5.6
193.04964	57.8
194.05368	100.0
199.56235	1.1
213.64908	1.2
223.59366	1.1
235.09645	1.1
356.11319	27.3
356.15155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10433	1.0
66.68244	1.2
88.76509	1.2
134.03745	42.0
135.04086	40.1
137.02432	2.1
138.02737	3.2
149.06075	18.1
150.06427	24.9
173.04518	5.3
178.02742	36.3
179.03052	46.4
191.05641	2.4
193.05038	62.9
194.05391	100.0
222.08441	1.6
236.43207	1.4
331.72522	1.6
338.07162	1.6
356.10840	11.7
356.14587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64505	0.9
57.14930	0.9
68.86417	1.0
134.03749	42.1
135.04063	40.6
136.04871	2.7
137.02396	2.1
138.02808	2.0
139.04016	1.2
149.06075	20.3
150.06413	25.3
178.02731	32.5
179.03059	44.1
180.03818	4.3
181.03960	1.8
191.05733	1.8
192.06390	1.5
193.05000	53.4
194.05374	100.0
257.31152	1.6
279.17386	1.1
339.33893	1.3
356.10153	11.7
356.15131	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02207	0.8
61.12793	0.8
97.41119	1.0
103.36738	1.0
134.03749	1.8
135.04037	1.8
137.02394	2.2
148.23125	1.1
149.06079	2.0
150.06389	1.3
161.02475	4.3
162.68350	1.0
164.04782	2.3
178.02715	1.7
179.03226	4.0
190.05109	2.2
191.05923	20.1
192.06679	78.0
193.05078	4.1
194.05385	6.5
205.07454	1.5
206.08243	41.4
298.10919	14.0
313.13196	1.0
326.10489	1.9
356.15076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03092	1.0
63.43637	0.9
87.88419	0.9
103.27461	1.1
121.57955	1.0
132.04538	1.2
134.03676	1.1
137.02402	1.4
164.04713	1.4
171.35789	1.1
172.81509	1.2
179.03526	1.5
191.05887	14.0
192.06679	50.8
205.07462	1.4
206.08224	28.1
240.04115	1.3
255.06696	4.5
264.04349	1.2
268.03784	6.8
277.37335	1.1
280.09912	2.0
283.06259	9.4
298.10999	7.9
308.09354	9.7
323.11630	7.0
326.10385	38.7
341.12711	24.9
350.27200	1.2
356.15054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35720	0.4
76.80335	0.4
83.94360	0.5
93.27219	0.6
137.02448	2.3
160.01640	0.7
161.02444	0.9
161.56650	0.6
164.04694	0.6
179.03415	0.5
190.05019	2.4
191.05920	17.3
191.07619	0.6
192.06676	52.8
204.06700	0.6
205.07483	0.7
206.08235	27.5
234.88733	0.6
240.04388	1.8
255.06627	3.0
264.04333	1.0
268.03830	4.0
280.09869	0.6
283.06104	6.7
293.07056	0.8
298.10892	8.9
308.09323	10.2
313.13245	0.7
323.11572	5.2
326.10361	33.5
341.12723	29.2
341.15982	0.6
343.29880	0.6
356.15063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02207	0.8
61.12793	0.8
97.41119	1.0
103.36738	1.0
134.03749	1.8
135.04037	1.8
137.02394	2.2
148.23125	1.1
149.06079	2.0
150.06389	1.3
161.02475	4.3
162.68350	1.0
164.04782	2.3
178.02715	1.7
179.03226	4.0
190.05109	2.2
191.05923	20.1
192.06679	78.0
193.05078	4.1
194.05385	6.5
205.07454	1.5
206.08243	41.4
298.10919	14.0
313.13196	1.0
326.10489	1.9
356.15076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1505
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
51.21895	1.2
67.38628	1.3
96.58524	1.4
98.31583	1.5
137.02446	6.4
152.04742	3.4
167.07120	2.0
192.06619	2.3
249.07945	2.1
267.09067	6.1
278.04575	2.9
279.05334	3.4
283.08496	5.2
292.06250	3.2
293.06897	3.0
294.07639	10.0
296.05743	12.9
307.08612	3.5
308.09402	16.0
310.07074	3.1
311.08072	37.6
325.09549	2.4
326.06799	2.7
326.10388	49.0
340.11838	2.7
341.12723	36.7
356.15009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82598	0.9
55.59772	0.9
58.38736	0.9
125.02348	1.2
134.03685	2.2
137.02444	5.2
150.30167	1.0
161.02469	2.2
164.04836	1.2
178.02602	1.1
179.03313	1.4
190.05144	2.5
191.05904	23.7
192.06676	81.0
194.05472	1.8
202.54221	1.1
204.06679	1.3
206.08215	38.0
223.08829	1.2
255.06467	2.0
276.28934	1.0
283.05997	1.7
284.09482	1.1
298.10788	11.0
303.32846	1.2
308.09113	1.4
313.13336	1.4
320.28833	1.2
323.12292	1.1
326.10385	10.0
341.12512	8.4
345.79819	1.2
356.15067	100.0
377.05603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02207	0.8
61.12793	0.8
97.41119	1.0
103.36738	1.0
134.03749	1.8
135.04037	1.8
137.02394	2.2
148.23125	1.1
149.06079	2.0
150.06389	1.3
161.02475	4.3
162.68350	1.0
164.04782	2.3
178.02715	1.7
179.03226	4.0
190.05109	2.2
191.05923	20.1
192.06679	78.0
193.05078	4.1
194.05385	6.5
205.07454	1.5
206.08243	41.4
298.10919	14.0
313.13196	1.0
326.10489	1.9
356.15076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63039	0.6
79.37311	0.7
80.24808	0.7
82.66908	0.6
120.43089	0.8
150.12338	0.8
161.02461	1.3
164.04803	1.8
179.03502	1.2
191.05901	12.0
192.06685	45.4
201.52171	0.8
206.08237	22.9
240.04378	1.1
255.06671	1.7
268.03876	3.7
283.06143	8.0
293.06985	1.8
298.10925	7.4
308.09375	9.3
313.13400	0.8
323.11703	4.9
326.10349	31.7
338.14310	1.6
341.12744	25.3
356.15100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1873
Annotation	Hetidine
Peak:m/z	Relative Intensity
56.21413	0.7
118.06709	1.0
138.75980	0.9
153.12709	1.7
162.47820	1.0
164.14439	1.1
190.12363	1.8
192.13948	12.9
199.13460	1.2
208.13452	8.6
218.11871	100.0
227.12852	1.8
236.12933	93.0
261.66812	1.0
294.21921	1.0
312.22031	5.5
338.17624	7.3
351.02383	1.2
356.18652	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46584	0.6
53.57366	0.5
55.57620	0.5
71.58427	0.5
97.02969	0.9
125.09718	0.8
130.08737	100.0
135.73373	0.6
136.73625	0.6
163.11327	2.5
181.12375	8.0
185.11920	0.6
207.10275	16.7
225.11314	19.0
260.87399	0.6
261.69601	0.7
268.50989	0.6
294.20651	1.9
312.21661	1.1
356.20850	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
73.83755	0.7
95.70454	0.6
97.02927	1.0
99.00849	0.8
110.53770	0.6
117.97597	0.6
124.34534	0.7
124.98279	0.6
125.09699	1.3
130.08728	100.0
132.82573	0.8
148.12224	0.6
155.20837	0.6
163.11263	2.6
168.10356	1.2
181.12321	10.2
185.11690	0.8
201.54033	0.7
201.56372	0.7
207.10286	21.3
209.11839	0.9
225.11301	22.6
239.97273	0.7
294.20856	1.3
312.21863	1.5
338.20102	1.0
356.20847	87.8
359.58276	0.7
365.20709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17397	52.8
52.53477	50.7
59.01366	100.0
61.08546	57.8
63.53278	64.7
74.28727	55.7
145.77834	66.6
148.65781	65.2
157.51291	64.5
258.41373	71.5
316.86380	61.7
337.01840	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63863	0.9
58.16893	0.8
59.01382	100.0
60.26012	1.0
64.99958	1.0
83.64577	1.1
86.42839	1.1
89.94798	1.0
92.22537	1.7
124.55780	1.2
183.52319	1.3
223.20676	2.2
253.21849	4.2
335.11914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28872	0.9
58.35156	1.0
59.01381	100.0
66.40047	0.9
69.00196	1.0
83.00076	1.1
85.29815	0.9
106.72287	1.0
129.71786	1.2
163.41748	1.1
169.97810	1.2
344.78082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.6
58.02982	10.2
59.01385	16.0
70.02980	6.2
72.04558	2.6
73.02943	10.7
80.11492	1.3
84.04563	9.6
85.02929	1.7
86.67889	1.2
96.04531	2.3
98.03730	9.6
100.04047	35.2
102.05606	45.0
108.86431	1.2
114.05589	41.4
153.09387	1.4
156.41823	1.3
223.20641	5.2
235.20695	1.4
237.51730	1.2
253.21696	8.6
265.21735	20.9
320.25964	5.8
324.25452	5.3
338.27042	1.4
356.28134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33865	1.3
60.65911	1.4
64.91632	1.3
71.84117	1.4
74.02471	100.0
124.05304	1.4
136.89400	1.7
167.35254	1.8
182.56819	1.5
217.50072	1.8
221.77251	1.8
266.24942	2.9
268.26526	11.1
294.24448	33.9
294.27710	3.7
312.25507	39.0
324.01025	1.8
356.28140	83.6
364.82059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27864	0.6
59.01382	100.0
59.41014	0.6
81.82509	0.8
82.12431	0.7
88.72807	0.7
88.97536	0.7
89.35079	0.7
89.69605	0.8
105.25459	0.8
109.62321	0.7
186.13785	0.8
198.94330	0.8
252.67517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98602	0.9
54.27519	0.9
54.40369	0.8
59.01382	100.0
76.15588	1.0
82.59013	0.9
118.38163	0.9
161.81268	1.0
208.61737	1.1
272.67587	1.2
293.39902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71343	1.5
59.01384	100.0
61.98840	40.8
65.23738	1.8
81.82009	1.7
87.18327	1.5
87.18900	1.5
109.55805	1.7
191.07486	1.7
193.63734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02699	0.6
58.59047	0.6
59.01385	100.0
76.06938	0.7
86.17504	0.8
148.49396	0.7
153.02003	0.7
176.60596	0.7
220.65509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64169	1.2
59.01382	100.0
60.13354	1.2
65.55053	1.2
76.41408	1.3
100.04042	2.0
102.05596	1.6
114.05579	2.1
129.85663	1.3
257.08447	1.3
356.28238	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45116	0.9
62.50616	0.8
74.02470	2.1
76.88532	0.9
85.33410	0.9
86.02463	4.4
86.26722	1.0
88.04021	7.6
91.88456	1.0
113.64330	0.9
114.05612	1.9
123.08800	0.9
139.14973	1.1
153.06651	1.0
153.36215	0.9
153.94913	5.9
155.08275	16.6
155.65144	1.0
155.96530	4.8
157.09822	9.9
173.20056	1.1
196.99245	2.2
201.08798	1.3
215.00287	1.4
215.94992	19.1
223.00816	1.7
225.02379	4.1
239.98708	1.2
240.98178	4.8
241.01837	1.2
252.98155	3.8
258.99164	3.3
264.98044	2.3
266.99750	100.0
269.01318	6.6
270.99167	2.1
298.98730	2.3
338.98312	10.6
356.99323	89.7
368.12903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67623	1.5
51.14631	1.8
74.02489	2.3
80.74074	2.4
83.81998	1.9
86.02480	4.6
88.04028	4.4
90.61751	1.8
92.22830	2.9
92.87717	1.9
94.11623	2.0
98.51809	1.9
153.94984	4.6
154.24335	2.1
155.08302	17.2
155.96516	5.0
157.09833	11.1
163.39845	2.4
180.97722	2.4
200.47156	2.1
215.95000	14.5
225.02261	3.7
240.98170	3.5
266.99734	100.0
269.01279	9.2
270.99429	3.0
298.98499	3.1
303.31290	2.1
328.16113	2.3
338.98352	7.0
356.99344	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
71.01373	1.2
73.02946	0.6
78.60809	0.7
81.03458	0.6
81.70818	0.5
87.54922	0.6
89.42386	0.5
95.05001	0.9
96.01083	0.5
105.44841	0.5
108.02199	4.5
122.03703	5.5
123.04513	18.0
133.02910	0.7
136.01654	1.3
144.06079	0.5
151.04004	100.0
163.68663	0.6
180.04289	1.4
195.03011	21.5
195.06636	3.0
223.34280	0.6
357.08136	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
56.74052	0.6
59.01363	3.3
97.06566	1.0
99.04539	0.9
106.10632	0.7
123.08105	0.9
125.09673	1.3
131.03523	1.2
136.01579	1.1
141.05505	0.9
149.31435	0.7
151.04031	1.2
166.63785	0.7
171.10211	1.3
195.13936	3.7
197.11879	3.9
213.11427	0.9
237.14975	1.4
239.03539	17.3
239.12910	0.8
251.20270	0.9
254.05838	20.9
267.03040	16.3
269.04553	0.9
269.05582	1.0
269.08221	10.1
277.18057	1.0
282.05334	17.9
295.02493	32.4
295.19193	1.2
297.07663	1.2
310.04855	100.0
313.07217	3.6
313.20325	1.4
315.08728	1.6
321.17236	0.9
325.07196	65.7
327.05161	1.0
339.18091	0.9
357.06186	2.9
357.09860	51.1
357.19156	19.2
357.23019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
53.81308	0.6
59.01378	1.4
91.01889	3.7
93.03437	5.5
96.99306	4.7
104.72903	0.8
108.02203	1.2
119.05010	13.0
122.69620	0.8
123.04537	10.1
131.05026	3.3
133.02936	1.2
134.03737	12.0
142.59360	0.9
143.05013	8.1
145.02927	1.8
146.03752	3.8
158.03738	3.8
159.04503	4.9
160.73293	0.7
161.06088	4.9
163.02872	0.9
163.04004	7.7
171.10287	0.8
173.06075	1.4
178.02638	1.2
193.05101	5.8
195.06560	1.0
226.06337	1.9
241.08714	3.2
251.07161	15.2
252.07959	9.3
253.08705	5.0
254.09589	4.2
267.10242	1.1
279.06644	6.6
280.07471	19.4
295.09763	7.8
296.38577	0.8
324.06546	4.0
339.08868	1.8
357.09848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01373	2.5
60.97854	0.8
74.37995	1.0
77.11451	0.9
81.68447	0.9
89.02396	1.1
89.04713	1.1
96.99245	1.0
108.02166	11.6
117.03448	2.5
119.05019	55.3
123.04517	8.4
134.03735	64.2
135.04500	5.5
139.65204	1.1
146.03641	1.1
147.04497	4.2
148.05315	6.0
149.06100	8.9
151.04027	1.8
152.90903	1.1
163.04010	46.1
163.05334	2.1
178.02698	5.8
186.95891	1.1
193.05084	35.9
253.08665	7.0
254.09435	7.0
313.10828	23.8
357.09821	100.0
357.19186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
60.97854	0.8
74.37995	1.0
77.11451	0.9
81.68447	0.9
89.02396	1.1
89.04713	1.1
96.99245	1.0
108.02166	11.6
117.03448	2.5
119.05019	55.3
123.04517	8.4
134.03735	64.2
135.04500	5.5
139.65204	1.1
146.03641	1.1
147.04497	4.2
148.05315	6.0
149.06100	8.9
151.04027	1.8
152.90903	1.1
163.04010	46.1
163.05334	2.1
178.02698	5.8
186.95891	1.1
193.05084	35.9
253.08665	7.0
254.09435	7.0
313.10828	23.8
357.09821	100.0
357.19186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01377	18.1
59.62604	1.1
60.92199	1.1
63.01150	1.2
64.71789	1.2
70.00267	1.2
71.01369	13.5
73.02955	1.2
75.00865	41.3
85.02488	1.4
85.02944	8.8
87.00883	2.0
89.02440	12.1
99.00867	6.7
100.92693	1.3
101.02444	13.3
111.00907	1.7
113.02445	7.6
119.03461	5.7
129.01933	15.5
145.87784	1.3
159.03061	3.1
161.04483	1.3
165.04036	2.9
168.99951	1.7
172.99525	1.9
177.04021	1.6
206.95592	3.2
245.00114	5.8
268.99988	1.5
270.99661	3.1
296.99670	16.1
324.10535	1.2
338.94464	2.0
357.10425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.27539	0.3
59.01379	11.4
81.88242	0.4
91.74928	0.4
92.10030	0.4
101.02440	0.4
108.02157	0.4
119.04993	0.8
123.04495	2.2
134.03673	0.4
135.04530	6.6
136.05296	10.6
151.04010	1.6
151.07605	2.9
152.60814	0.4
172.75565	0.4
177.05515	0.9
180.10735	0.4
195.06633	100.0
269.14105	0.4
357.11954	6.6
378.09836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44741	1.0
50.57299	1.0
54.11763	0.8
54.56113	1.0
57.37888	1.0
59.01379	21.3
59.60490	1.1
59.65347	1.1
60.64726	1.1
71.01382	1.3
73.02938	1.6
98.00773	1.2
107.05036	2.3
108.02171	19.4
123.04507	35.4
123.05398	1.5
135.04517	56.4
136.01654	2.0
151.03989	5.1
152.01169	1.6
162.03217	19.3
167.03540	1.7
177.05551	5.3
180.04272	64.5
195.03073	10.0
195.06635	100.0
240.02603	1.2
292.00272	1.3
297.09656	2.3
338.09128	1.6
357.11954	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60008	1.2
57.85979	1.0
59.01099	2.3
59.01381	40.2
67.88145	1.0
70.86736	1.1
71.01379	14.3
72.99316	1.2
74.62583	1.1
79.00388	1.0
82.31900	1.1
85.02957	2.7
89.02444	20.4
93.03461	2.1
97.40884	1.1
101.02440	14.0
103.05579	1.3
113.02446	6.1
113.76134	1.3
117.05194	1.2
119.03485	5.5
119.05011	27.3
133.06587	4.9
134.03741	2.2
135.04463	1.4
149.06116	2.0
157.42830	1.3
163.03973	1.6
173.04570	2.9
177.05580	64.2
195.06653	19.9
237.02521	1.2
256.99527	1.3
357.11996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.55981	1.6
50.63281	1.6
54.38404	1.8
58.02366	2.1
59.01381	42.6
62.46070	2.3
66.16519	2.3
71.01376	20.0
76.89707	2.3
83.01361	2.1
87.31948	2.1
88.46058	1.9
89.02448	21.0
89.68984	2.2
101.02415	14.4
113.02442	5.3
119.03469	3.5
147.44125	2.2
151.04004	4.2
162.03221	65.6
177.05568	100.0
178.54973	2.1
179.03566	5.0
179.05640	2.8
179.07080	2.4
180.04291	3.9
195.06648	12.9
275.07379	2.5
357.11896	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1196
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
50.15487	0.6
53.84790	0.7
59.01384	12.1
59.88012	0.7
60.08074	0.7
65.57687	0.7
71.01385	5.7
75.04833	0.9
85.02938	1.6
87.00864	1.8
89.02452	5.7
90.41963	0.8
101.02430	5.3
102.29085	0.8
108.02161	6.6
109.02951	4.4
113.02404	1.7
119.03483	1.1
123.04519	8.0
124.01685	1.2
134.03783	1.7
135.04561	1.2
136.01672	1.3
140.56662	0.9
152.01180	1.5
162.03233	29.3
163.04102	1.3
164.04759	6.4
177.05583	11.6
179.03517	17.3
179.07182	1.5
180.04308	10.1
181.05124	1.2
181.64314	0.7
195.06644	28.2
266.02438	0.9
277.74979	0.9
334.39746	0.8
342.09586	5.9
357.11969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Gardaloside
Peak:m/z	Relative Intensity
54.17817	0.3
54.28870	0.3
56.89759	0.3
59.01382	33.9
60.95738	0.3
71.01379	14.6
72.99303	0.4
73.02946	0.4
75.00861	0.3
81.03452	0.8
83.01389	0.9
83.82516	0.4
85.02951	3.9
87.00819	0.4
89.02439	16.1
90.43182	0.3
92.22428	0.4
95.01384	1.7
99.00854	0.4
101.02428	10.0
107.05040	0.5
108.02172	2.4
109.02933	0.4
113.02445	8.1
113.35420	0.3
117.69908	0.5
118.91717	0.4
119.03500	7.4
119.69296	0.3
123.04509	5.7
131.03508	0.4
139.92334	0.3
143.03516	0.4
151.04022	7.6
161.04594	1.5
161.33406	0.4
162.03224	60.5
163.04036	1.6
177.05569	100.0
179.05605	2.0
180.04260	0.5
195.03004	2.1
195.06602	0.7
209.04597	0.7
223.06075	0.4
256.04276	0.4
265.28122	0.4
283.02600	0.9
298.04941	0.5
357.12241	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28235	0.3
58.46889	0.4
59.01374	0.5
69.68352	0.3
71.01408	0.3
77.79382	0.4
113.33611	0.4
114.38341	0.4
177.05542	0.4
179.03481	1.9
180.04285	73.5
194.05878	1.6
195.06638	100.0
335.53201	0.4
357.11938	41.1
376.21777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.96839	0.4
54.30305	0.4
56.98034	0.8
57.31392	0.4
59.01385	4.2
61.81536	0.4
71.01382	1.9
72.99286	0.8
73.02940	2.0
74.99094	0.5
87.00837	0.5
89.02392	0.8
96.96931	0.6
101.02416	1.1
108.02189	0.6
113.02413	0.6
123.04515	2.4
134.03703	0.6
135.04509	2.7
137.02448	0.6
140.86746	0.6
149.05994	0.5
151.03999	1.0
162.03229	18.7
162.04524	0.9
173.35521	0.4
177.05568	7.1
179.00195	0.8
179.03519	1.0
180.00922	3.3
180.04292	68.8
182.36949	0.5
195.03084	5.2
195.06648	100.0
227.09116	0.8
253.59128	0.5
315.10876	0.8
346.66394	0.4
357.08231	3.4
357.12024	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.4
60.19831	0.6
96.73214	0.6
108.02134	0.8
114.57705	0.6
121.02982	5.3
122.03719	5.9
123.04559	1.0
124.01619	0.7
125.09685	1.5
134.03728	1.2
136.01666	66.1
137.02434	4.8
145.04132	0.7
149.02437	17.6
151.04012	100.0
160.05284	1.7
161.02507	0.7
162.03282	2.7
163.04012	4.1
164.04776	5.4
175.04007	1.1
175.07544	1.7
177.05566	3.4
179.03555	1.4
180.04277	1.1
186.11363	1.4
195.06668	1.7
206.05841	0.7
297.07843	0.8
309.07825	1.7
311.13107	1.0
312.09952	0.8
319.47528	1.0
327.08804	1.0
327.12338	1.7
339.12155	0.9
342.11169	17.3
357.13492	86.9
357.23743	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01382	17.0
59.46589	1.0
78.29423	1.0
88.61037	1.2
107.04969	1.7
108.02165	6.9
120.10168	1.1
121.02923	4.5
122.03709	6.0
123.04514	12.7
135.04520	42.2
136.01651	65.1
137.02411	1.4
151.03996	100.0
162.03214	1.1
163.03963	1.6
177.05591	1.3
179.03493	1.3
195.02959	5.8
195.06723	2.0
246.31921	1.1
297.09647	1.7
304.59140	1.2
317.40997	1.1
340.09897	1.2
342.11011	5.8
357.13483	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
74.20586	0.7
74.23383	0.7
77.89486	0.7
85.02933	0.8
92.60963	0.7
121.02948	3.6
122.03733	8.9
123.00876	1.0
124.01649	0.8
134.03801	1.6
135.04498	1.3
136.01663	65.7
137.02420	6.0
151.04007	100.0
160.05328	1.5
162.03250	3.2
163.04053	7.5
175.07567	1.0
177.05594	4.1
179.03465	5.7
180.04309	2.8
195.06699	1.3
327.08749	3.7
342.11136	22.0
357.13498	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.23743	0.5
53.59225	0.5
54.00825	0.5
58.47255	0.5
59.01379	0.6
71.01412	0.6
92.45514	0.5
96.34560	0.5
115.24654	0.6
121.02953	2.5
122.03757	5.7
134.03804	0.6
136.01666	59.4
137.00981	0.6
137.02455	2.8
147.04448	0.6
151.04012	100.0
160.05269	1.0
162.03215	0.9
163.04047	0.9
172.18597	0.6
175.07693	1.3
177.05640	0.8
190.17337	0.7
270.00107	0.7
320.05307	0.7
327.08777	0.9
342.11011	3.2
357.13519	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
50.84295	0.5
59.01411	0.8
75.88798	0.7
104.43919	0.7
108.02160	2.5
109.02933	3.4
123.00864	1.1
123.04512	3.4
125.09684	1.0
131.66859	0.8
134.97505	0.7
136.01601	1.5
151.03938	1.1
161.06084	4.0
171.10168	0.9
173.32874	0.7
175.04002	11.0
177.02007	0.8
177.05602	3.4
186.11346	3.5
187.03992	3.2
188.04816	6.2
189.05603	5.9
201.11372	1.0
203.07086	4.9
204.04457	1.1
205.05074	100.0
206.05896	7.5
209.11839	0.9
219.06668	7.3
220.14957	0.7
258.73605	0.8
297.07669	1.1
303.16019	1.0
307.31277	0.7
312.06729	0.7
312.10110	5.5
321.17218	1.0
327.12387	5.8
339.12524	1.1
342.11072	5.7
357.13492	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1349
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.02319	1.7
59.01373	9.0
71.01373	3.4
85.02941	3.6
87.00827	2.1
89.02417	2.8
94.02958	2.6
108.02149	12.0
109.02923	2.8
113.61703	2.3
121.02938	2.6
122.03691	2.6
123.04517	12.8
125.09772	2.2
135.04488	3.0
136.01653	36.9
143.03474	2.4
148.05315	4.3
150.03215	2.8
151.04007	63.0
159.04515	4.1
160.05312	23.4
164.04703	2.3
174.03195	3.8
175.07651	8.3
176.04805	3.2
177.05600	44.6
178.06357	26.1
179.05528	2.1
188.04779	15.9
191.07147	12.9
192.07916	20.0
193.08719	2.1
201.93130	2.5
203.07159	38.7
206.05856	20.2
209.11871	3.5
210.05261	8.8
213.11374	3.7
221.08221	32.9
224.06973	16.1
281.08224	2.9
297.07559	2.9
298.08536	2.2
309.07672	9.7
312.09790	2.5
313.10825	4.2
324.10135	3.7
327.12326	4.7
339.12247	33.2
339.18048	2.6
357.09363	4.4
357.13495	100.0
357.18985	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1462
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
52.02651	0.8
52.70786	0.9
52.76328	0.9
54.21858	0.8
59.01382	14.4
74.14921	1.0
75.73901	0.9
79.07651	0.9
79.95738	42.1
86.50786	1.1
92.18947	1.0
95.42186	1.0
97.02914	1.3
99.00875	1.2
99.04548	1.0
99.63634	1.1
125.09741	12.3
147.06703	1.0
171.10246	2.5
181.12366	1.2
183.13908	1.6
185.11794	1.3
187.09769	11.6
195.13777	1.5
197.15367	2.2
202.49471	1.1
207.10207	1.8
209.11803	1.2
225.11287	6.5
243.12434	9.3
251.08136	1.5
265.09811	8.1
265.81589	1.1
266.10486	4.0
267.11380	9.8
277.21661	1.3
282.10153	1.4
283.10678	2.1
293.09198	5.0
295.07129	4.2
295.10608	1.1
295.22733	2.0
297.12216	5.3
297.16953	1.2
297.76447	1.0
307.10690	4.7
310.09122	1.1
311.10410	1.1
325.11960	81.6
357.14395	100.0
357.17953	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60788	1.0
53.71378	1.2
59.01376	1.8
63.12055	1.4
64.98444	1.4
65.72004	1.4
73.02931	1.5
77.00360	1.3
80.57357	1.3
82.06621	3.5
88.44408	1.3
89.68623	1.5
97.06612	1.9
100.04049	6.0
116.07172	95.2
120.27663	1.4
123.00860	2.5
125.09710	5.9
130.08730	11.7
137.02434	1.6
152.10759	11.9
154.07512	6.4
161.06032	2.1
168.13786	1.9
170.11981	2.5
178.08733	7.3
182.08209	2.4
183.15027	5.9
185.16597	17.5
186.11362	20.8
190.68185	1.5
196.09804	33.3
196.20959	1.5
199.09760	3.0
200.12952	6.6
211.14534	24.2
225.19823	7.7
229.15567	9.1
268.07248	1.6
283.09769	2.2
313.17740	100.0
357.10013	10.3
357.16769	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70740	2.6
58.22082	3.0
59.01373	8.1
59.52757	3.1
99.00858	4.9
125.09721	31.8
127.14693	3.5
133.25020	3.2
141.09203	12.2
143.81924	4.0
163.11328	3.3
171.10257	21.6
179.14420	17.8
181.12294	13.7
183.13872	4.5
185.08231	4.8
187.09737	28.0
195.13896	3.7
197.15489	100.0
207.10321	19.1
221.15413	4.0
225.11331	41.8
228.48886	3.6
230.23343	3.5
239.16447	6.4
241.14468	54.6
242.34210	3.4
243.12376	75.9
259.45081	3.4
265.14410	6.2
283.15530	5.0
357.19199	32.2
366.89294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54247	1.1
52.99895	1.1
57.03445	1.1
59.01386	100.0
59.45842	1.0
71.01366	7.0
73.02953	1.2
83.05049	1.7
85.02961	1.8
89.02402	1.8
98.82706	1.2
101.02459	2.4
113.02456	1.6
130.08730	7.8
171.10335	4.7
209.11873	7.6
221.93524	1.3
266.79477	1.3
273.96255	1.3
294.14261	1.8
357.23102	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21591	0.8
55.73678	0.8
59.01409	1.0
66.69427	0.9
72.36605	0.9
79.95731	1.0
87.06559	1.0
90.62985	0.9
97.88612	1.1
99.08154	1.4
115.07642	57.9
125.09702	1.0
128.63936	0.9
134.06235	0.9
142.07771	1.0
142.18918	1.1
143.07153	8.6
153.12868	1.3
171.10321	3.8
185.11830	1.9
197.11848	100.0
215.12901	5.3
241.10765	9.1
313.20407	1.5
357.18961	2.2
357.22894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80986	0.7
57.03463	0.9
59.01387	1.0
97.06584	3.9
115.07651	1.6
122.63605	0.8
123.08170	1.7
125.09717	91.6
142.53163	0.8
143.10768	4.9
144.21149	0.8
169.08693	15.2
187.09772	100.0
197.11874	1.2
218.10155	1.0
245.75922	0.9
247.00473	1.2
329.23270	3.2
338.02866	0.8
357.19095	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67353	0.5
53.90001	0.4
59.12639	0.4
61.43901	0.4
65.84613	0.5
91.63834	0.5
95.45634	0.4
97.06557	1.9
111.08140	0.9
125.09715	38.1
142.12366	1.8
168.10327	0.6
169.08731	1.0
172.09789	5.5
186.11363	100.0
229.63594	0.5
280.30771	0.5
357.23965	0.7
370.54495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38744	0.8
59.01379	2.3
77.04127	1.0
78.32308	0.9
79.45778	1.1
86.41760	0.9
90.68060	0.8
92.22456	1.1
94.98061	5.1
98.20958	0.9
99.08165	7.2
111.08121	1.2
113.09733	2.0
125.09708	2.4
127.11256	1.3
129.09137	1.4
137.09724	1.8
139.11293	10.2
141.09229	4.6
145.05125	1.6
155.10774	20.5
157.12363	1.3
159.10297	3.7
171.10316	6.1
187.09761	1.9
199.09781	8.9
199.13411	21.3
201.11343	1.3
203.09401	1.5
209.11841	1.1
211.13367	4.2
211.17117	6.0
215.09206	1.5
217.10864	1.1
221.15474	3.9
229.14380	2.0
231.26793	1.0
237.14984	1.9
239.16554	41.8
241.18074	11.3
257.17618	17.4
269.42575	1.1
283.19217	4.3
288.91766	1.4
357.19827	13.2
357.22980	7.2
357.26532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72749	16.5
84.92972	18.8
90.48923	19.7
92.23153	19.5
116.72973	27.3
121.64540	23.5
144.11159	24.2
155.42062	22.6
245.05603	25.4
266.80603	25.4
357.26569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3014
Annotation	AKD 2A
Peak:m/z	Relative Intensity
52.16421	1.1
55.71581	1.2
69.64285	1.3
71.01376	100.0
72.27493	1.3
73.10130	1.2
74.03244	1.3
76.33393	1.2
78.93197	1.4
78.97025	1.3
93.14284	1.4
114.31821	1.4
144.87550	1.6
234.20872	1.5
244.63850	1.6
309.28052	6.7
325.11893	3.3
357.14447	1.9
357.30148	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51090	0.9
52.49090	0.9
69.44418	0.9
72.51392	0.9
80.19154	1.1
96.95976	1.6
126.43506	1.1
136.01654	4.4
137.01991	1.7
142.91479	1.1
151.03998	7.4
152.04359	4.2
166.06601	1.9
168.04535	5.4
178.28737	1.0
182.06129	1.4
194.06114	4.9
196.04053	100.0
198.05606	1.3
210.05658	2.5
211.02748	5.0
211.06322	1.9
212.03554	59.2
212.05553	2.2
224.03394	1.6
226.05139	41.6
227.05908	27.2
227.08099	1.3
237.04237	1.6
240.03052	54.3
242.08205	12.4
244.09802	1.8
254.04558	14.9
255.05405	26.7
269.06897	1.5
270.07727	69.5
288.08829	11.0
314.03934	2.6
314.06747	65.2
358.05826	12.2
365.94708	1.3
368.63794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
93.25874	1.4
98.86431	1.3
108.41647	1.5
112.00421	1.5
133.67502	1.9
136.01651	1.8
151.04033	3.2
166.06659	2.6
168.04590	6.5
182.06113	3.0
194.04488	1.9
194.06187	6.1
196.04050	100.0
197.11784	2.3
198.05809	1.5
211.02759	2.8
211.06387	3.0
212.03557	63.7
214.71663	1.5
226.05116	44.1
226.87906	1.7
227.05891	30.9
239.02296	3.0
240.00648	2.0
240.03036	56.4
241.08125	1.6
241.10709	2.5
242.08279	14.8
243.70610	1.7
244.09874	5.9
254.04691	15.9
255.05403	32.1
270.07724	81.7
288.08908	15.2
314.06747	80.9
314.10510	2.3
358.05850	17.5
358.13641	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0783
Annotation	TRIBOA-glucoside
Peak:m/z	Relative Intensity
50.57454	0.9
53.50628	0.7
56.56745	0.7
59.01380	0.9
62.57942	0.9
75.88319	0.8
79.49535	0.9
81.12587	0.8
83.01360	2.0
87.00851	1.2
90.90859	0.8
92.23131	1.1
96.04501	1.1
98.01885	1.6
98.02473	33.3
99.00851	1.6
124.04031	12.9
168.03024	48.7
168.06627	4.9
198.04063	6.3
210.04082	2.2
211.28279	1.1
240.05156	12.6
258.06216	22.0
268.04626	2.0
289.97430	1.0
322.71640	1.0
340.06802	2.0
358.07828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0785
Annotation	TRIBOA-glucoside
Peak:m/z	Relative Intensity
59.01374	1.9
72.47269	1.0
75.36182	0.9
82.02971	1.3
83.01366	1.2
89.77457	0.9
92.22440	1.2
95.01411	0.9
96.04539	1.8
98.02470	43.5
99.00879	1.6
105.00716	0.9
111.00853	1.1
124.04040	12.4
129.43977	0.9
133.84297	0.9
138.05684	1.3
168.03021	46.8
168.06651	3.6
177.34773	1.0
198.04082	8.4
210.04063	4.3
240.05128	11.1
258.06168	21.2
268.04404	1.3
340.06644	1.9
358.07825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2025
Annotation	Comosivine
Peak:m/z	Relative Intensity
52.18839	0.4
55.49689	0.4
56.61796	0.5
57.42817	0.4
66.51916	0.5
68.50714	0.4
70.81680	0.5
144.85294	0.6
270.22278	100.0
314.21317	31.7
340.19302	1.1
353.54144	0.6
358.20261	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2239
Annotation	Loxtidine
Peak:m/z	Relative Intensity
50.00341	0.8
50.77481	0.8
57.39355	0.8
69.50243	0.7
69.95583	0.8
78.98600	9.3
79.98971	0.8
86.02475	9.2
87.00871	100.0
149.01343	1.0
156.03374	0.9
171.92096	0.8
225.22249	1.3
226.21771	51.3
252.23322	1.9
253.21793	8.2
255.19724	6.4
270.20685	1.3
278.21262	23.8
279.19717	3.9
280.19275	3.5
296.22260	6.7
298.20346	4.8
340.21362	4.7
358.22391	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
75.74979	65.7
87.51477	81.3
111.93899	82.0
114.12044	79.3
133.40520	80.5
133.53073	100.0
157.77138	80.5
241.49590	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2605
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
58.02969	2.9
60.04519	1.0
60.99320	1.1
64.76649	1.1
74.02477	14.2
90.72774	1.3
116.86067	1.3
144.90123	1.2
216.54256	1.3
223.20802	1.4
225.22261	60.4
253.21739	7.2
266.24850	1.7
271.22842	4.6
284.25961	4.6
292.22925	4.8
296.25952	5.7
328.24939	28.6
358.26056	100.0
376.76456	1.2
378.52600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21249	1.2
51.86362	1.4
51.91713	1.1
59.60341	1.2
60.77705	1.5
61.33985	1.3
73.11164	1.5
74.02466	13.6
75.90446	1.2
85.63936	1.3
86.75236	1.4
201.18484	1.8
223.13736	1.5
225.22276	59.3
253.21729	8.3
268.34384	1.6
271.22760	2.3
284.25970	3.3
292.22855	7.4
296.25974	7.3
328.24963	26.9
358.26035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62770	1.2
55.73910	1.5
56.42033	1.3
57.63251	1.1
59.01383	100.0
63.78497	1.2
102.05615	1.7
134.66809	1.6
255.23357	1.8
358.29871	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70495	0.7
59.01385	100.0
72.76843	0.9
74.07452	0.7
76.55450	0.7
90.57844	0.8
200.25713	0.9
228.68460	0.8
243.20119	1.1
249.76822	0.9
250.15700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37059	0.8
54.66117	0.8
59.01381	79.6
62.49727	0.9
66.01865	0.9
66.45051	1.0
76.33982	1.0
78.67640	1.0
85.51614	0.9
85.63902	1.0
142.30891	1.0
157.03546	6.0
174.99242	35.4
189.33757	1.1
201.02565	30.1
217.00310	100.0
279.97681	1.0
359.01547	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24900	1.0
59.01384	1.7
72.99305	8.9
78.95899	1.4
109.02946	53.1
112.18713	1.0
123.04518	2.0
129.83360	1.2
135.04515	4.8
152.01170	5.8
153.01941	100.0
167.56827	1.0
179.03487	10.3
193.03310	1.3
197.04555	9.9
197.18550	1.1
199.83737	1.1
267.24432	1.4
315.07361	6.0
359.06149	49.4
359.09872	6.5
359.20834	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25107	0.4
59.01373	1.1
71.01336	0.7
80.31428	0.5
84.39774	0.5
88.71809	0.5
101.65282	0.8
103.28993	0.6
108.02172	0.7
109.02946	53.9
137.06039	0.9
143.30663	0.6
151.03989	0.9
152.01158	6.5
153.01941	100.0
157.65511	0.6
159.92671	0.5
179.03537	0.8
191.05618	3.7
197.04529	1.0
315.07062	4.8
359.06219	52.3
371.99374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81877	0.7
62.95657	0.8
63.09121	0.7
65.86654	0.9
67.64539	0.7
72.99306	11.0
86.36653	0.8
109.02179	2.0
109.02939	55.0
123.04527	3.4
124.61285	0.9
129.35870	0.9
135.04521	4.4
152.01114	5.7
153.01927	100.0
179.03479	13.9
182.02213	6.5
197.04543	26.9
222.52557	0.9
280.08765	1.1
284.85049	1.1
315.07193	2.3
321.08728	1.2
329.10275	1.3
359.06186	51.4
359.10022	11.9
359.14276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09061	0.4
59.01376	0.8
65.51067	0.5
72.99310	6.8
73.60285	0.5
78.95905	7.5
85.33934	0.5
108.02171	1.0
109.02950	58.2
123.04507	3.2
135.04514	3.5
151.03999	0.5
152.01147	6.8
153.01941	100.0
160.73544	0.5
161.37688	0.5
165.52029	0.6
169.60896	0.6
179.03502	8.9
193.03297	0.6
194.02786	1.1
195.02980	0.7
197.04543	12.8
205.86139	0.5
278.76624	0.5
279.08469	0.6
289.04016	0.5
315.07349	6.3
359.06192	56.0
359.10019	7.4
359.20886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
71.01371	1.2
72.99313	4.4
74.99081	1.0
89.02435	0.6
96.08163	0.8
96.31138	0.6
108.02162	3.9
111.04481	1.4
121.02955	0.8
123.04504	0.8
124.07679	1.5
135.04507	1.3
136.01660	100.0
137.02443	54.2
146.06100	5.1
148.07661	2.3
149.85530	0.6
150.09233	3.9
159.04561	1.0
160.05295	6.5
161.06128	1.3
163.03951	1.0
164.04837	6.6
171.10330	6.0
175.07657	8.0
175.09032	0.8
177.05511	1.0
178.06381	4.6
179.03474	3.0
179.07164	2.6
185.11850	1.0
191.07124	1.1
192.08011	2.1
197.04596	5.3
201.11336	3.9
205.08755	0.9
209.11792	0.9
215.12794	4.4
223.13380	1.2
243.11366	10.3
243.15097	0.9
271.14597	3.4
287.13910	0.8
315.08777	23.7
315.13525	12.0
329.13968	19.0
341.19604	0.7
359.12375	12.1
359.15796	0.9
359.20740	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	3.4
59.01379	7.8
67.74162	1.4
74.02470	12.8
82.02977	1.7
83.01374	3.1
87.05628	2.2
97.04070	8.3
98.02492	2.7
99.05640	10.2
101.02448	2.4
103.78930	1.7
108.04535	3.0
112.04040	8.3
112.07658	8.9
113.03540	3.4
124.04031	3.4
125.04865	3.4
126.05600	4.0
127.05119	8.1
137.07153	1.9
140.07202	11.6
142.18796	1.9
143.04634	2.9
152.03526	2.5
155.08253	24.7
165.06673	20.4
165.58250	1.8
166.06358	3.7
176.05504	1.8
177.03378	2.7
179.03555	2.3
181.06245	2.2
181.08696	2.5
183.07779	20.5
197.04567	2.1
214.34418	1.8
227.06754	42.6
261.02771	3.5
261.05533	100.0
359.14999	4.3
359.20831	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69296	1.8
51.82280	1.8
56.56584	1.9
58.02978	4.4
59.01381	17.9
72.99301	2.7
74.02489	5.3
82.02948	3.9
88.88882	2.2
90.00201	2.2
93.59109	2.4
96.04541	4.0
97.04064	8.9
98.02454	4.1
99.05633	10.1
108.04559	5.2
110.72206	2.2
112.04052	11.6
112.07664	8.7
113.03574	3.7
124.04041	3.0
125.04807	5.1
126.05522	2.7
127.05167	8.4
131.01736	2.8
137.07275	4.0
140.07185	18.6
140.71983	2.4
143.04677	3.3
149.02452	31.2
152.03488	2.7
155.08270	22.7
164.04799	4.4
165.06697	22.6
177.03412	2.9
179.03444	2.7
183.07758	26.8
197.04498	3.9
215.06680	3.7
227.06764	59.1
252.95415	2.5
261.05533	100.0
265.56839	2.3
311.09109	2.5
344.12415	3.1
359.08948	3.8
359.15768	19.5
359.20477	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	3.4
59.01379	7.8
67.74162	1.4
74.02470	12.8
82.02977	1.7
83.01374	3.1
87.05628	2.2
97.04070	8.3
98.02492	2.7
99.05640	10.2
101.02448	2.4
103.78930	1.7
108.04535	3.0
112.04040	8.3
112.07658	8.9
113.03540	3.4
124.04031	3.4
125.04865	3.4
126.05600	4.0
127.05119	8.1
137.07153	1.9
140.07202	11.6
142.18796	1.9
143.04634	2.9
152.03526	2.5
155.08253	24.7
165.06673	20.4
165.58250	1.8
166.06358	3.7
176.05504	1.8
177.03378	2.7
179.03555	2.3
181.06245	2.2
181.08696	2.5
183.07779	20.5
197.04567	2.1
214.34418	1.8
227.06754	42.6
261.02771	3.5
261.05533	100.0
359.14999	4.3
359.20831	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	3.4
59.01379	7.8
67.74162	1.4
74.02470	12.8
82.02977	1.7
83.01374	3.1
87.05628	2.2
97.04070	8.3
98.02492	2.7
99.05640	10.2
101.02448	2.4
103.78930	1.7
108.04535	3.0
112.04040	8.3
112.07658	8.9
113.03540	3.4
124.04031	3.4
125.04865	3.4
126.05600	4.0
127.05119	8.1
137.07153	1.9
140.07202	11.6
142.18796	1.9
143.04634	2.9
152.03526	2.5
155.08253	24.7
165.06673	20.4
165.58250	1.8
166.06358	3.7
176.05504	1.8
177.03378	2.7
179.03555	2.3
181.06245	2.2
181.08696	2.5
183.07779	20.5
197.04567	2.1
214.34418	1.8
227.06754	42.6
261.02771	3.5
261.05533	100.0
359.14999	4.3
359.20831	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43826	0.5
59.01383	1.6
71.01394	0.7
72.99306	64.0
109.02964	4.2
123.04517	19.0
123.65968	0.6
135.04517	21.4
179.01915	1.6
179.03510	61.9
197.04567	100.0
241.05124	0.9
276.82272	0.7
313.11072	1.1
329.10495	1.1
344.12747	3.0
359.09924	70.2
359.14905	8.3
372.83499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01370	0.7
66.79173	0.6
70.43375	0.5
71.01385	0.7
72.99306	67.1
75.57339	0.6
75.77998	0.6
76.00243	0.6
86.67770	0.7
100.64893	0.6
109.02921	1.3
123.04515	19.2
130.79175	0.6
135.03487	0.9
135.04521	23.9
151.03989	0.8
153.01932	1.3
155.27060	0.6
157.29385	0.7
167.29890	0.6
179.03516	62.7
181.14905	0.7
191.18805	0.6
197.04570	100.0
261.01886	0.6
279.74915	0.6
359.09891	69.7
384.00830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.114
Annotation	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
Peak:m/z	Relative Intensity
53.26654	0.8
57.35520	0.8
59.01382	3.5
59.86121	0.7
68.88028	0.8
72.57309	0.9
72.99297	8.1
80.25075	0.8
88.79404	1.1
98.17712	0.8
102.77307	0.9
104.82995	0.9
110.60073	0.9
125.09682	1.1
129.35040	0.9
135.04523	3.8
153.80609	0.8
159.06686	1.8
160.01637	10.2
163.00362	7.1
171.10291	1.0
177.01944	33.5
178.02698	10.6
179.03548	6.0
187.09824	1.3
192.04282	20.4
193.05128	1.2
197.04524	10.7
201.11443	1.5
223.13400	9.5
237.75345	1.0
239.16628	2.0
241.14540	3.6
243.02933	1.1
255.03116	1.1
263.16614	4.2
270.05307	7.1
271.02579	1.2
283.02658	1.5
285.07898	4.2
286.04742	3.8
297.04077	1.2
298.04880	20.0
299.02036	7.4
301.07135	3.3
301.16769	4.2
312.06519	4.0
313.07202	50.1
314.04364	13.8
327.08762	9.0
328.05927	3.4
329.06720	23.9
341.19846	4.2
343.08261	2.0
344.08966	7.8
359.11447	100.0
359.20483	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1254
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
53.36045	2.0
54.49137	2.4
59.01381	17.3
66.41623	2.2
68.87751	2.1
69.72011	2.2
72.99303	3.2
83.05013	4.4
85.02949	6.4
93.03448	2.5
98.34161	2.4
99.04509	5.0
105.07646	2.5
111.04536	3.1
121.05279	3.2
124.07665	11.8
136.01634	25.0
137.02446	62.2
146.06125	36.1
147.17134	2.5
148.07678	11.5
150.09276	17.8
159.04643	3.1
160.05312	12.5
162.05438	2.9
165.13036	2.4
165.46480	2.4
171.10278	42.6
175.07634	14.6
177.05518	3.0
178.06425	5.4
179.03528	4.5
185.11670	3.6
190.06419	3.5
197.11916	5.2
201.11263	18.2
209.11801	5.1
213.11388	5.2
215.13092	31.1
221.11908	3.7
223.13411	4.0
228.13858	3.2
239.12877	11.3
241.09749	4.3
243.11372	47.9
243.15125	10.9
255.11450	3.0
257.14059	5.3
271.14508	20.1
287.13879	9.1
314.07986	4.8
315.08762	5.3
315.09357	5.7
315.13553	81.2
317.19550	3.2
323.18802	2.8
329.10281	21.6
329.13959	34.8
341.19855	5.2
344.12531	3.3
359.11981	79.8
359.16403	5.7
359.20746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57192	0.4
52.14662	0.4
53.08276	0.5
59.01383	100.0
64.38828	0.4
67.60070	0.4
69.03460	0.4
70.26865	0.4
71.01369	5.2
72.99323	3.0
73.02942	1.9
74.60711	0.5
77.21286	0.5
83.01435	0.4
85.02938	2.0
91.93983	0.5
95.01425	0.6
101.02452	5.4
109.02945	16.9
113.02450	3.5
123.00884	3.7
123.04569	0.9
135.04510	0.8
137.06082	69.5
138.03232	13.4
152.01245	0.7
153.01936	30.1
153.05573	7.8
159.02928	0.6
161.04559	12.8
166.99878	2.1
177.99117	0.7
179.03545	2.0
182.02214	12.9
191.05679	1.1
196.19370	0.5
197.04564	31.0
198.11316	0.5
218.03595	0.6
245.63788	0.5
299.11310	7.8
341.05215	0.6
359.06323	11.9
359.10052	5.1
359.13794	2.2
375.49741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73775	2.7
54.88533	2.7
59.01105	4.9
59.01384	100.0
71.01376	48.5
72.99309	18.4
85.02950	5.9
89.02444	60.2
95.01386	3.3
101.02426	34.8
109.02941	12.7
113.02435	27.4
117.48998	3.0
119.03468	27.7
131.03467	3.3
135.04524	6.2
151.04008	3.7
153.01906	30.7
153.04475	4.0
164.04805	43.0
179.03508	13.4
179.05591	12.6
179.07138	36.2
197.04582	24.7
250.56017	3.4
284.80511	3.3
314.82019	3.0
359.09839	23.7
359.14017	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87577	0.9
59.01382	100.0
61.02315	1.0
64.76437	1.0
71.01385	5.8
72.99300	17.6
73.02937	1.8
77.51932	1.1
85.02943	2.2
101.02456	2.6
113.02444	4.9
117.10869	1.1
123.00865	1.7
123.04523	5.3
135.04507	5.0
137.06078	70.9
138.03206	12.8
153.05606	9.0
161.04570	11.2
179.03503	17.1
182.02191	6.9
197.04585	42.3
299.11304	8.1
316.44196	1.2
359.09830	29.4
359.13852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.38010	0.8
70.00972	1.0
71.01376	30.8
73.64590	0.7
83.01341	0.9
85.02943	5.5
89.02438	46.7
95.01352	1.8
101.02439	26.5
113.02441	18.3
119.03494	20.1
119.05009	22.6
122.15497	0.9
131.03452	3.4
137.06076	4.0
143.03502	1.8
161.04550	3.4
179.05618	8.1
197.04651	1.4
197.08142	0.9
255.97818	0.9
262.75119	0.8
268.72723	0.9
285.04010	0.9
299.11371	74.1
359.13583	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05400	2.1
52.46587	2.0
57.36385	2.1
59.01382	100.0
59.07344	2.2
68.68305	2.6
68.86774	2.1
70.59757	1.9
71.01376	28.5
71.54110	2.1
72.99332	2.6
74.02462	3.5
78.29707	2.5
83.05011	2.4
85.02946	4.6
89.02448	44.6
89.81223	2.3
101.02415	22.3
113.02463	20.5
114.81472	2.4
119.03493	19.8
119.05019	24.1
140.07094	3.2
143.03539	3.3
155.08307	5.9
179.05724	4.0
183.07777	4.5
197.04547	3.2
227.06754	12.1
261.05426	24.6
268.34937	2.9
280.56650	2.8
299.11426	67.2
301.37860	2.6
301.54059	2.6
359.09790	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88696	1.6
53.79530	1.8
56.76044	1.7
59.01384	100.0
59.24815	2.2
63.54812	1.7
64.97550	2.3
66.60162	2.0
71.01380	41.8
83.01377	3.0
85.02943	11.3
88.71652	2.1
89.02438	52.6
91.93674	2.4
92.22474	2.9
95.01415	2.5
101.02441	29.0
113.02451	24.0
116.17283	2.2
119.03491	23.8
142.59402	2.4
149.02480	3.4
164.04767	22.1
179.05717	3.0
179.07147	29.3
182.05800	3.6
240.89934	2.2
242.71684	2.6
261.05551	5.4
292.67560	2.2
359.13531	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.50829	0.7
50.80431	0.7
52.58401	0.7
57.58503	0.9
59.01381	100.0
63.76871	0.9
64.88294	1.1
65.42081	0.8
71.01375	6.5
73.02932	4.0
85.02933	2.4
89.02472	1.1
101.02446	3.8
113.02456	2.4
114.54318	1.0
117.21181	0.8
122.03750	1.3
137.06052	3.9
149.37428	0.9
153.02003	3.2
153.09224	1.1
161.04585	11.1
177.99113	1.9
182.05865	9.0
191.05846	4.5
197.08160	3.6
253.09767	4.9
315.13504	1.5
341.05127	2.3
359.06219	6.4
359.12885	10.5
359.20773	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
56.56058	0.5
59.90608	0.5
70.59422	0.5
72.99285	0.7
76.71696	0.7
78.54951	0.5
89.44550	0.6
91.42299	0.6
121.02943	4.6
122.03701	1.5
123.04562	1.1
136.05299	2.7
147.04535	1.4
149.02400	2.3
150.03227	2.5
152.08168	0.7
158.03740	2.7
159.04523	8.7
160.05296	45.6
161.06067	7.7
163.03958	4.3
164.04793	3.7
173.06053	5.7
174.06833	3.8
175.06102	1.4
175.07640	42.8
177.05573	8.3
178.06363	28.0
179.03566	0.8
192.07947	11.9
193.08676	2.6
197.04646	1.2
209.11760	0.8
314.11771	1.2
329.13983	100.0
359.15186	1.5
359.20853	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20895	0.9
59.01352	1.3
91.73318	1.2
94.38210	1.2
108.02154	1.4
120.53461	1.1
122.03709	2.6
123.04471	1.4
135.04523	10.5
149.06097	1.9
150.03185	6.5
151.04018	4.5
163.03972	1.8
163.83179	1.3
164.04845	1.4
165.05531	4.7
175.07695	1.9
178.06418	1.6
179.07158	33.1
180.07936	95.7
185.11838	5.6
192.07751	1.6
194.05849	6.9
194.09468	11.6
195.10266	10.9
197.11932	4.7
201.11409	2.7
208.07410	25.8
209.11848	5.6
212.06955	6.5
223.09776	100.0
226.08502	8.4
265.88144	1.3
269.08170	6.7
299.09210	1.8
311.09311	10.5
314.11584	7.6
315.12381	2.3
326.11703	6.3
329.13934	16.6
331.15567	2.5
341.13968	7.4
341.19940	2.4
341.41437	1.4
345.29163	1.2
359.15015	54.8
359.20703	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1507
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
59.01383	1.3
62.98690	0.6
99.37530	0.6
101.70569	0.6
102.28472	0.7
104.52394	0.8
109.02863	0.9
115.04490	0.7
121.02954	5.5
122.03745	1.8
123.04523	1.2
125.06204	0.8
136.05336	2.5
137.02451	0.9
145.02910	1.1
147.04568	2.9
149.02444	1.5
150.03189	4.3
158.03748	1.7
159.04543	8.5
160.05299	48.1
161.06081	7.4
162.03163	0.8
163.03992	7.8
164.04759	5.0
173.06088	6.9
174.06917	5.1
175.04047	9.0
175.07645	43.2
176.04826	1.7
177.05574	9.4
178.06364	24.9
180.04185	1.0
188.04861	1.7
189.05618	5.8
190.06381	15.4
191.07167	12.9
192.07945	13.0
193.05074	3.3
193.08847	2.5
203.07082	1.0
205.08734	8.0
207.06648	1.7
208.07405	12.6
217.58647	0.9
222.09045	1.8
253.94359	0.7
261.05457	0.9
329.13995	100.0
344.12875	1.4
359.10684	1.9
359.15057	39.5
359.20752	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
65.73052	0.8
72.99290	1.0
102.06620	0.9
108.55265	0.8
109.06626	1.2
116.57329	0.8
121.45087	0.7
124.07729	1.9
127.07703	0.9
144.04565	15.0
145.05331	3.7
146.06172	1.6
147.03264	1.3
148.07722	4.3
162.05646	3.2
171.10364	3.5
176.07196	3.7
187.09822	2.0
188.03537	10.0
190.05104	1.3
201.11473	1.2
203.05899	55.5
204.06677	12.7
209.11836	0.9
219.05400	0.9
220.06137	7.6
235.04950	1.2
235.08507	43.4
255.19713	1.3
263.16400	6.5
266.06720	1.0
267.07471	23.6
279.19699	1.0
327.13599	4.1
341.19916	1.9
359.16248	100.0
359.20798	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1982
Annotation	13-Tigloyloxy-17-oxolupanine
Peak:m/z	Relative Intensity
55.36033	0.7
58.32399	0.8
58.37726	0.7
59.12377	0.9
69.36531	0.8
73.68568	0.9
76.30158	0.8
79.49686	0.8
82.38769	1.0
92.05053	70.2
126.09191	0.9
136.04044	39.3
136.05032	2.0
138.69644	1.0
144.10298	1.9
219.15039	100.0
222.14919	1.5
263.13992	26.3
269.51819	1.0
276.33429	1.0
340.30319	1.1
359.19818	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22798	1.9
55.11930	1.5
56.80271	1.5
59.01379	12.1
62.02476	1.7
66.52572	2.0
67.23631	1.9
69.11722	1.6
79.95741	2.4
88.62725	1.6
89.66222	1.7
94.74257	1.8
97.06562	2.7
115.07617	13.7
125.09714	100.0
143.10779	2.1
155.10765	7.6
157.12325	3.4
167.20049	2.1
169.08682	2.3
169.12354	2.1
171.10255	12.5
179.03378	2.5
181.12401	8.6
187.09760	99.6
197.04642	2.6
199.13397	14.3
201.11487	2.8
207.10315	8.2
209.11894	3.4
217.10857	23.2
225.11349	31.5
229.14250	2.4
237.14970	2.7
243.12329	22.3
251.62337	2.2
287.02228	2.3
323.18652	10.4
340.29657	2.1
359.20923	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43295	0.7
57.78782	0.7
59.01377	1.9
79.11727	0.8
79.95737	5.9
99.08149	19.8
99.49843	0.7
115.07646	17.7
115.43675	0.7
123.24361	0.8
133.12093	0.8
145.08707	100.0
147.89372	0.8
151.35605	0.8
171.10249	0.9
181.12340	11.4
199.13426	18.1
201.11372	4.8
207.10236	10.9
208.08093	0.9
225.11333	36.9
243.12393	29.4
323.18683	1.5
359.20975	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.1
59.01385	23.9
61.61769	0.7
111.05189	0.6
117.44224	0.7
178.66779	0.7
266.23776	0.7
277.21747	100.0
316.22781	1.3
334.89798	0.8
359.09821	0.9
359.22089	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73376	0.7
57.66637	0.8
59.01384	19.2
63.28761	0.7
64.76713	0.8
65.19442	0.8
65.95068	0.8
69.23675	0.7
72.99300	0.8
77.35846	0.8
81.97069	0.7
87.72516	0.8
88.62798	0.7
124.84303	0.8
188.18214	0.9
233.27046	0.9
243.45874	0.8
269.16623	0.9
270.77249	0.9
277.21744	100.0
301.21899	1.1
304.80188	0.9
307.09589	1.0
359.22067	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16490	0.6
59.01386	15.8
61.48646	0.6
87.70515	0.9
128.44212	0.8
153.08316	0.8
212.57559	0.7
246.76619	0.8
277.21753	100.0
359.22098	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2441
Annotation	oscr#22
Peak:m/z	Relative Intensity
54.84335	0.9
61.96051	1.1
67.16821	1.3
72.99290	5.4
107.18879	1.4
108.54293	1.2
123.04473	1.8
153.03645	1.3
179.03506	6.5
197.04582	12.1
215.59015	1.3
223.20686	100.0
229.17111	1.1
241.21799	2.2
267.19672	88.7
285.20743	85.4
359.09818	6.2
359.24426	81.4
359.28833	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39954	0.6
59.01387	8.0
64.55550	0.6
66.23560	0.6
70.63139	0.6
72.99310	1.4
94.19569	0.7
107.91495	0.6
108.02148	2.7
128.97331	0.7
138.01974	100.0
145.87508	0.7
179.03464	1.3
180.03783	1.0
197.04599	1.5
198.04915	2.8
248.78622	0.7
300.07281	1.1
360.10275	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33820	0.7
51.57961	0.8
58.40182	0.8
58.85173	0.8
59.01378	4.9
62.56102	0.9
64.25155	0.8
70.50492	0.9
71.01385	6.5
81.03463	1.4
83.34012	1.0
85.02967	6.3
89.02460	1.8
98.02471	71.7
99.04537	1.2
106.83321	0.9
108.04561	13.8
109.99731	0.9
113.02477	1.6
120.62498	0.8
126.05592	1.3
152.03519	11.1
198.04126	4.5
242.06737	4.0
260.07761	45.5
359.45212	0.9
360.09427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60068	0.7
59.01385	1.5
68.82509	1.0
71.01387	5.1
75.98231	0.8
81.03465	1.2
85.02965	4.6
89.02454	1.3
98.02474	63.2
99.00895	1.2
99.04568	1.5
108.04576	12.9
113.20200	1.0
126.05634	1.3
134.04741	10.7
150.25290	0.9
152.03532	9.2
161.04558	1.7
198.04147	3.9
212.05717	1.2
242.06816	2.1
260.07773	43.5
278.22794	1.1
360.09479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01381	4.6
64.77036	0.7
71.01377	6.3
73.02950	0.9
77.47403	0.7
81.03444	1.2
83.01359	0.8
85.02949	7.7
85.23685	0.7
86.04174	0.7
87.52118	0.7
89.02438	0.8
96.04571	0.8
97.02966	1.1
98.02472	73.1
98.06099	1.1
99.00892	2.7
108.04547	11.5
109.02909	1.1
110.02472	0.7
113.02419	1.8
116.19884	0.7
126.01946	0.9
126.05607	1.7
127.12108	0.7
128.03526	1.4
136.04861	0.8
139.81544	0.9
140.03497	1.1
152.03529	11.5
154.01459	1.3
154.05086	1.0
161.04634	0.8
182.84268	0.8
198.04140	5.1
240.05185	1.2
242.06677	4.5
257.96774	0.8
260.07791	48.2
360.09433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80642	0.7
59.01381	2.0
69.03452	0.8
71.01375	6.1
81.03471	1.3
85.02943	4.2
89.02451	1.2
98.02472	73.9
99.00858	1.8
99.04512	1.4
108.04572	12.1
110.09387	0.8
126.05607	2.1
152.03531	13.3
173.04523	1.1
179.05547	1.1
191.05458	1.0
198.04085	6.8
228.81242	1.0
242.06657	4.6
260.07767	41.6
360.09412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1018
Annotation	bezafibrate
Peak:m/z	Relative Intensity
53.98908	0.9
72.99300	77.3
73.99638	10.5
75.79483	1.0
89.96001	1.0
108.49867	1.1
123.04525	13.1
124.04850	11.5
127.61321	1.0
135.04526	16.9
136.04848	19.7
179.03496	36.3
180.03830	50.0
197.04558	55.5
198.04898	81.8
201.53331	1.1
211.06792	1.2
360.10217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22383	0.6
55.82692	0.7
59.01362	0.7
60.59879	0.6
76.61974	0.9
81.03456	2.8
125.09732	8.2
140.46146	0.7
171.10207	0.8
181.16039	3.6
207.13950	3.7
225.14983	100.0
251.12900	1.7
269.13971	64.7
284.75540	0.9
313.13000	4.4
360.13440	1.2
360.21143	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1824
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
50.96864	0.7
57.03452	0.9
59.01367	1.0
61.34066	1.0
65.45789	0.8
72.32346	0.8
82.93813	1.1
96.00900	1.0
97.01670	2.2
98.02489	8.6
115.67117	1.1
123.08125	1.8
141.09163	1.1
142.48019	0.9
151.11256	2.3
169.12302	5.9
171.10246	2.3
178.12343	4.2
179.10706	2.0
195.10208	1.6
196.13402	6.6
196.85281	1.0
204.10255	2.1
213.11267	6.0
217.07346	4.2
222.11371	48.1
223.09807	1.6
223.13359	1.5
224.13780	1.8
240.12428	50.9
244.12741	1.9
262.13672	1.6
264.16846	1.8
302.16647	1.3
342.16913	3.7
342.20419	4.3
355.00793	1.1
360.18076	100.0
360.21259	6.4
364.14822	1.1
371.28983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.7
61.88974	19.3
63.66689	16.4
70.36190	22.1
75.88830	17.8
80.32446	17.7
101.15581	22.7
117.87492	21.2
124.44450	21.4
148.07310	21.5
199.59180	23.3
222.00311	22.5
222.23016	20.6
278.22086	100.0
360.22345	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20002	61.3
56.85550	58.0
62.99454	71.0
65.67019	63.8
86.01231	72.4
103.71920	67.9
110.27402	80.1
133.50174	79.7
134.51828	80.8
213.42482	78.8
251.57472	93.8
360.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99006	0.7
73.42451	0.6
83.05006	1.7
87.04533	0.8
171.10283	3.2
173.04445	0.8
181.99730	3.0
189.04338	1.3
197.99197	51.6
198.99979	100.0
201.11322	3.9
201.37964	0.8
215.05269	0.8
229.14374	0.7
237.15005	0.9
262.83124	0.8
329.11426	0.8
361.05258	81.8
361.22360	14.6
361.85513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01369	1.6
71.41232	0.8
80.52633	0.7
83.05019	3.6
87.04520	3.5
93.03452	1.6
110.17168	0.9
122.06071	1.3
127.11297	1.2
137.09663	1.6
142.01471	0.9
145.05302	1.8
155.10759	8.2
160.04123	1.1
164.20468	0.8
169.00212	1.0
171.10303	7.3
173.04509	1.5
181.99707	4.5
185.29265	1.0
189.04370	8.2
197.99207	63.3
198.99988	100.0
199.09811	4.9
201.11327	20.4
209.11794	2.1
211.13345	1.4
223.09798	1.5
229.14503	5.1
241.10811	1.0
267.11426	5.9
273.17191	2.1
286.49438	0.9
311.10275	1.3
329.11481	6.9
343.12970	1.0
361.05322	85.9
361.15414	9.1
361.22385	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22388	0.4
59.01384	0.6
70.64381	0.5
74.58991	0.4
85.02947	3.3
93.03461	0.7
94.12377	0.5
111.04527	0.4
113.03606	0.8
114.24577	0.5
127.03938	1.2
131.04582	0.8
149.04588	1.0
165.78439	0.5
191.05623	100.0
216.33969	0.5
351.35205	0.5
361.06439	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13804	1.0
59.01376	1.4
60.65685	1.0
70.59658	1.0
71.01387	1.6
84.98904	1.0
85.02996	1.4
97.98731	1.1
119.05018	51.9
134.98367	1.2
156.78284	1.1
163.04005	100.0
317.22760	1.1
325.09302	16.3
361.07019	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13804	1.0
59.01376	1.4
60.65685	1.0
70.59658	1.0
71.01387	1.6
84.98904	1.0
85.02996	1.4
97.98731	1.1
119.05018	51.9
134.98367	1.2
156.78284	1.1
163.04005	100.0
317.22760	1.1
325.09302	16.3
361.07019	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96064	0.6
54.20153	0.6
55.08994	0.6
60.60718	0.6
60.62106	0.5
62.92101	0.7
85.02946	2.8
93.03470	0.8
117.45540	0.6
119.10882	0.8
125.02438	21.6
169.01425	60.2
191.05626	100.0
362.67896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
60.29799	1.0
64.61877	1.0
71.01360	2.1
72.99301	70.7
73.99639	7.2
74.99726	16.1
120.91534	1.2
123.00855	13.6
123.04498	16.6
124.04832	5.6
125.04982	2.5
135.04538	23.5
136.04872	8.9
137.05054	6.5
138.03214	31.3
139.04022	6.1
140.60663	1.5
152.79074	1.1
161.04491	2.8
179.03494	47.8
180.03842	21.3
181.03989	32.9
197.04568	55.5
197.06369	2.0
198.04926	31.6
199.05072	61.5
301.09320	18.1
361.10388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Antirrhinoside
Peak:m/z	Relative Intensity
59.01379	24.9
61.01873	0.7
62.61886	0.7
67.46105	0.8
69.00190	0.7
71.01381	13.1
73.02950	1.6
83.01391	0.7
85.02948	3.5
87.00877	1.3
89.02446	11.8
101.02423	8.4
107.92454	0.8
108.25730	0.8
111.08145	9.2
113.02452	7.0
119.03496	6.3
119.05025	1.2
122.03705	9.4
134.00023	0.8
137.06078	100.0
138.03203	1.0
155.07101	1.9
161.04546	3.3
163.04085	1.3
167.13652	0.8
169.66881	0.8
179.05621	3.5
181.05069	15.0
187.81578	0.7
199.06238	6.8
211.06107	1.1
239.18867	1.1
263.11429	1.0
308.39413	0.8
323.08551	0.9
361.11447	25.1
377.98599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01382	0.7
63.01244	0.6
64.67693	0.5
71.01385	0.6
71.05028	1.4
75.00874	3.7
76.40662	0.6
85.02938	8.5
88.85626	0.5
89.10145	0.6
92.23115	0.8
97.02949	20.3
99.00858	5.1
101.47265	0.6
115.04005	100.0
120.00708	0.6
122.03754	0.8
122.06110	0.9
129.01988	2.5
147.02992	6.6
165.05640	1.5
173.58069	0.6
203.41298	0.7
218.42885	0.6
219.53618	0.6
243.07466	0.8
270.06476	1.2
285.08841	4.1
297.87088	0.6
317.11432	1.2
361.11517	34.1
361.16479	4.4
361.21649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Clandonoside
Peak:m/z	Relative Intensity
55.01868	3.2
64.21131	2.2
69.66141	2.1
71.01373	27.4
72.99306	61.7
79.40391	3.2
83.05011	4.8
85.02946	5.4
87.00869	97.0
94.97527	2.5
97.02941	17.7
99.00885	17.7
106.32474	2.4
107.33280	2.2
107.69034	3.3
115.00363	3.6
115.04002	100.0
117.85883	2.7
121.97173	2.3
142.99823	21.2
157.05063	58.8
160.37238	2.4
197.99200	3.7
198.99973	14.5
201.07727	58.6
211.86700	3.3
245.06677	37.5
361.05362	15.2
361.11597	44.2
361.22223	4.9
361.82187	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1298
Annotation	5Z-7-Oxozeaenol
Peak:m/z	Relative Intensity
59.01376	1.4
65.54548	1.0
72.24469	1.0
87.59012	1.1
90.63891	1.1
92.22486	1.2
95.32474	1.1
150.03255	1.4
154.68178	1.1
159.15234	1.1
163.03972	1.1
165.01926	2.2
179.03494	11.2
180.04224	2.6
195.06668	4.7
227.03416	1.5
229.05135	8.2
242.02225	1.6
257.04657	6.1
257.08261	6.7
270.05441	2.3
271.06186	5.5
272.07050	2.6
273.04248	1.6
273.07669	1.7
281.04547	2.3
283.02747	1.9
285.04214	4.8
285.07794	7.3
286.04816	2.1
287.09189	1.6
297.08029	1.7
298.04944	11.4
300.06482	37.5
300.09937	5.4
301.03656	5.0
301.07217	23.3
313.07193	26.7
315.05334	4.5
315.08774	100.0
316.05994	16.3
316.09567	1.7
328.09647	7.5
330.11130	47.9
331.08304	23.2
331.11957	9.8
343.11975	6.5
346.07062	3.4
346.10693	9.8
361.09290	6.2
361.13025	87.7
361.22461	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1331
Annotation	Pandangolide 3
Peak:m/z	Relative Intensity
58.22361	0.5
59.29683	0.6
65.31036	0.6
80.02847	0.6
84.36245	0.5
91.50824	0.6
95.95216	0.7
104.48184	0.6
106.75327	0.6
124.18824	0.6
132.12981	0.7
155.78226	0.7
155.89825	0.6
171.10307	0.8
243.06203	0.8
277.03870	3.8
295.90707	0.7
343.12250	0.7
345.10190	4.5
359.11722	1.1
361.13312	100.0
379.14279	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1332
Annotation	Pandangolide 3
Peak:m/z	Relative Intensity
80.33546	0.5
95.47301	0.7
110.07549	0.6
137.46220	0.6
269.11249	0.6
277.03876	3.3
279.05301	0.8
343.12207	1.4
345.10193	3.8
359.11606	0.6
361.13324	100.0
379.14435	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11880	0.9
58.46357	1.0
59.01378	5.2
60.00592	0.8
62.37330	0.8
70.49313	0.8
71.01395	1.8
82.88000	0.9
85.07357	0.9
121.05326	1.9
122.06103	1.1
123.00933	1.1
124.07662	2.0
132.04546	4.2
142.49136	0.9
148.04041	1.2
148.93469	1.2
149.04826	2.2
159.20200	1.2
160.04037	100.0
161.04836	2.0
162.05650	1.9
164.03564	1.2
171.10315	1.2
176.03548	17.4
177.04301	17.3
185.11751	2.0
189.04391	2.0
197.11801	1.0
199.13457	1.5
201.11333	1.7
201.30106	1.0
204.03035	12.1
205.03865	4.7
208.39192	1.1
209.11966	1.6
209.14169	1.1
219.05385	63.0
220.06148	2.2
222.04181	1.4
233.03296	2.4
245.12967	4.8
249.20732	1.0
250.03711	1.4
251.04355	23.8
267.11469	2.2
273.17130	4.3
301.11990	9.5
329.07809	1.7
329.11282	10.1
343.13074	37.2
361.09921	2.6
361.14172	72.4
361.18558	7.2
361.22400	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60805	0.8
59.01389	1.7
106.97500	1.2
110.06121	2.2
121.05304	4.4
122.06110	13.6
144.04555	2.6
145.05347	14.3
146.06123	6.8
160.04057	20.5
161.04813	30.5
176.03508	2.3
177.04265	2.1
188.03587	1.5
189.04330	100.0
190.05127	2.6
193.03838	2.1
203.05963	1.2
216.61974	1.2
219.10684	1.3
221.03514	8.0
221.06938	37.5
226.12257	1.1
231.11281	4.2
243.11444	6.1
253.06068	2.6
255.11397	25.7
267.11414	36.4
283.10843	1.7
285.12500	2.7
299.10513	12.3
311.10446	28.2
329.11404	12.1
331.13101	16.2
343.13025	77.8
361.14111	60.6
361.18713	1.5
374.72534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26416	1.3
59.96943	1.1
62.24987	1.3
63.20313	1.6
63.21077	1.2
71.01376	1.3
78.21976	1.5
85.04525	1.4
110.06065	1.9
121.05334	2.6
122.06113	12.2
125.45367	1.3
132.04460	1.5
145.05341	16.0
146.06059	5.1
160.04028	22.4
161.04819	27.0
162.05481	1.7
176.03464	2.3
188.03494	2.5
189.04332	100.0
190.05125	3.6
193.03696	2.4
221.03391	3.3
221.06932	33.1
231.11435	2.1
243.11378	2.5
253.05849	6.3
255.11441	19.0
267.11429	35.4
283.10785	1.8
285.12531	2.9
299.10382	10.7
311.10428	24.2
329.11407	8.8
331.12891	11.3
343.13043	73.5
361.14120	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Sauriol A
Peak:m/z	Relative Intensity
51.38206	1.5
58.53062	1.6
64.29794	1.5
67.19572	1.5
67.83987	1.5
70.65553	1.5
109.02959	4.2
118.84348	1.6
119.76150	1.6
121.02947	14.9
122.03734	30.3
136.05289	2.2
147.04573	2.2
165.05574	45.7
179.07153	16.7
206.14978	1.8
298.12064	1.8
315.12350	8.0
346.14127	8.8
361.16620	100.0
365.24606	1.8
374.35583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	Sauriol A
Peak:m/z	Relative Intensity
58.00179	1.5
59.01383	16.5
71.01382	13.3
73.02937	3.6
73.93331	1.6
83.01392	2.2
85.02953	7.9
87.27339	1.9
101.02421	15.0
105.21848	1.7
109.02927	8.4
113.02444	3.0
121.02943	21.2
122.03728	43.2
134.03709	1.7
136.05264	2.6
147.04497	8.8
165.05563	64.4
165.06924	3.2
179.07144	23.2
181.12306	2.0
199.13387	11.8
202.74092	1.8
209.08293	2.4
223.09900	1.8
298.12390	2.4
315.12411	9.4
346.14276	13.1
361.16730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03688	1.2
59.01381	22.2
69.80787	1.2
71.01376	12.6
73.02927	3.3
83.01373	2.2
83.76188	1.4
85.02945	6.8
89.02438	2.2
101.02457	10.6
109.02922	2.4
113.02451	7.4
119.03456	1.7
121.02947	7.3
122.03696	16.5
141.29205	1.5
158.82529	1.5
165.05574	24.4
179.07144	8.7
199.13461	17.5
288.27829	1.6
315.12552	2.1
346.14258	2.7
361.19196	100.0
361.22745	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96410	0.8
53.82972	0.9
56.05869	0.8
59.01100	1.6
59.01381	28.9
59.03896	0.8
61.47324	0.9
66.64586	0.8
71.01372	18.4
73.02958	1.9
82.83685	0.9
83.01397	1.0
85.02970	3.9
89.02441	13.3
99.00870	4.6
101.02444	10.3
113.02448	7.3
119.03481	1.9
147.91995	1.2
151.11288	4.9
169.12331	19.4
176.26813	1.0
181.12340	8.3
183.13972	1.2
199.13417	25.1
213.11279	2.4
245.13899	9.4
269.30524	1.1
316.72495	1.1
361.15253	4.3
361.18707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
56.24573	0.5
59.01384	13.8
60.84401	0.6
71.01373	13.7
73.02950	2.8
83.01391	4.1
85.02963	5.2
89.02444	3.2
95.01391	0.8
99.00857	1.0
100.95393	0.6
101.02422	9.1
104.53907	0.6
108.09260	0.6
113.02465	4.3
119.03516	0.7
124.01657	0.6
125.02450	0.6
138.19121	0.6
143.22499	0.6
152.01144	0.7
181.12335	1.4
199.13426	23.6
225.28337	0.7
294.15948	0.7
315.09012	0.8
343.17651	2.8
361.09702	2.1
361.18713	100.0
361.21954	4.7
381.61703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06666	1.0
54.34365	1.1
59.01385	22.4
59.01946	1.2
59.34062	1.3
71.01374	14.6
72.03175	1.3
73.02939	6.9
75.15930	1.3
75.98487	1.2
83.01389	3.1
85.02942	7.6
89.02449	5.3
101.02441	16.5
111.00854	2.0
113.02424	6.2
121.02953	1.8
137.02411	1.9
177.84138	1.2
183.36896	1.2
199.13435	6.5
202.46991	1.6
207.22386	1.6
212.83121	1.6
248.69333	1.6
361.18729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52392	1.0
56.73979	0.9
58.78089	0.9
59.01382	59.9
59.01686	2.0
71.32733	0.9
140.17918	1.2
162.22975	1.0
217.07240	22.2
237.12598	0.9
265.07596	1.0
285.13470	11.5
298.00763	1.0
301.16641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2236
Annotation	bhos#20
Peak:m/z	Relative Intensity
55.40148	0.8
57.74455	0.9
59.01360	1.3
84.52334	0.9
111.08141	4.6
118.35733	0.8
123.08165	1.4
157.94699	0.9
162.53709	0.9
171.10269	100.0
185.11925	1.8
201.11342	23.5
213.11337	9.5
245.19180	1.0
293.06610	0.8
343.21368	3.2
361.22360	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
59.01376	5.0
59.79842	0.6
60.78809	0.8
60.79142	0.8
62.39733	0.8
71.01372	1.2
71.05009	1.2
73.02941	1.6
83.05022	10.5
85.02938	4.1
87.04520	6.6
94.03013	0.8
95.05023	1.4
97.06570	1.6
100.97704	0.8
101.02435	3.1
101.06093	5.1
115.07663	0.9
123.08128	1.7
124.05318	1.2
125.09729	1.7
127.11295	0.9
153.09264	1.3
155.10760	3.1
165.05539	1.0
171.10274	20.4
184.10091	0.8
189.04233	1.0
197.99225	1.9
199.00026	8.1
199.09705	1.0
201.11366	24.5
209.11928	5.7
211.13426	2.0
229.14458	6.7
237.14978	4.9
273.17145	7.1
361.05484	6.9
361.18698	9.3
361.22421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.6
72.21918	0.7
81.10004	0.7
185.81816	0.8
268.62631	0.9
277.86389	0.7
279.23312	100.0
308.61499	0.7
328.52322	0.9
361.23660	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25049	0.6
59.01382	14.3
59.32936	0.5
60.03166	0.6
65.16045	0.5
75.80391	0.7
104.70580	0.5
122.06735	0.6
128.60481	0.6
131.76677	0.6
142.59416	0.7
279.23312	100.0
361.23663	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2388
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
52.08709	0.8
57.03453	0.9
57.31263	0.8
59.01376	0.9
68.85815	0.8
69.03443	1.2
71.05024	1.6
73.70824	0.8
79.95727	17.0
85.02942	1.0
87.04522	2.1
95.05024	1.1
99.04519	5.5
109.06539	1.8
121.06600	3.6
165.05476	1.0
165.09213	2.1
168.52658	1.2
191.10657	1.0
202.20029	0.9
259.17154	2.2
264.10352	1.0
264.92828	1.2
273.18704	8.9
287.20230	1.6
289.18195	1.2
289.21170	1.1
299.20163	3.5
317.21259	44.5
325.20587	1.9
331.22845	3.3
332.77911	1.0
333.24420	4.0
343.22778	23.2
361.07300	1.1
361.20544	5.7
361.23972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.98766	2.3
84.26108	2.4
158.30704	2.1
241.57460	2.5
263.20139	14.1
280.16711	2.4
280.73306	2.5
294.92563	2.9
354.11780	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0513
Annotation	Guanosine-5'-monophosphate disodium salt hydrate from Yeast
Peak:m/z	Relative Intensity
69.13354	0.4
72.99302	1.7
73.99643	0.4
74.86149	0.4
78.95905	100.0
91.57309	0.4
96.96953	11.3
96.97552	0.5
100.55229	0.4
113.75599	0.3
133.01546	2.3
138.97987	0.4
146.94287	0.4
150.04202	5.7
150.98013	0.9
174.82635	0.4
178.82631	0.4
179.03671	0.4
180.03920	0.5
181.03990	0.4
182.04350	0.6
189.72171	0.4
197.04585	0.9
198.04913	0.6
199.05106	1.4
200.05260	0.5
210.98151	0.5
211.00131	10.3
211.02017	0.6
279.02231	0.4
362.05157	44.1
362.10458	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48676	0.6
61.83309	0.7
62.39865	0.7
65.00327	1.0
67.01893	1.7
68.01403	1.3
68.83228	0.7
68.99797	1.0
83.01394	1.3
84.24894	0.8
96.84025	0.9
111.00891	22.8
115.01109	0.8
123.38902	0.7
130.50063	0.8
135.04564	1.0
135.45204	0.7
136.98804	3.7
143.03493	3.5
147.04507	1.7
158.06149	2.0
161.06052	1.2
173.52063	1.0
177.05585	16.7
186.05609	3.2
188.03549	5.7
188.07277	1.2
189.05576	4.9
190.05023	7.2
197.89389	0.7
200.07156	5.6
201.05621	1.6
213.05562	1.3
214.05136	10.9
217.05127	1.0
218.04626	25.8
229.05145	1.1
230.08279	1.8
234.07735	5.6
258.07773	4.3
302.06726	3.6
330.06235	100.0
362.08801	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55932	1.0
57.87132	1.1
72.99308	57.5
73.99652	11.8
74.99726	17.8
76.00062	2.8
87.30797	1.1
109.76467	1.2
114.08269	1.2
122.60492	1.1
123.04504	11.6
124.04825	11.7
125.05041	1.9
126.05316	2.0
135.04562	11.2
136.04846	15.9
137.05055	2.4
138.05269	2.1
148.38589	1.1
179.03491	21.0
180.03848	27.9
181.04037	15.3
182.04298	17.4
197.04601	28.7
198.04904	39.2
199.05077	31.8
200.05370	39.7
237.47717	1.2
362.10696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83658	0.3
59.01396	0.7
59.78231	0.3
68.26225	0.4
71.01358	0.7
73.02937	0.7
84.04542	0.8
85.19286	0.4
100.04046	0.6
101.02435	6.8
102.05605	100.0
114.05599	2.3
115.04012	2.5
119.45616	0.4
144.06587	1.5
156.06709	0.6
174.07719	13.6
186.07698	0.6
204.08777	0.8
264.10907	1.0
284.79385	0.5
296.58344	0.5
362.14545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32747	0.7
59.01382	100.0
65.33904	0.7
70.30927	0.7
73.78831	0.7
108.00785	0.8
130.51929	1.0
140.07178	83.3
176.28450	1.1
199.29556	0.9
232.32574	1.0
256.74899	1.0
302.12515	10.4
362.14944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1978
Annotation	Consiculine
Peak:m/z	Relative Intensity
56.80340	0.7
59.86682	0.7
59.87097	0.7
63.79659	0.8
66.42294	0.7
97.02966	2.0
98.02470	23.6
105.66419	0.8
109.48610	0.9
119.05015	3.3
125.09723	8.5
129.86224	0.8
136.07629	0.9
154.41521	0.8
163.11307	5.7
169.83247	0.9
170.33919	0.8
180.12587	1.0
180.13925	6.1
181.10889	1.2
181.12360	15.9
207.10286	34.1
218.08255	3.4
224.12924	5.8
225.11324	35.3
272.81677	0.9
300.19855	1.3
344.18738	5.8
362.19772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89328	0.7
59.01387	1.1
64.19031	0.6
68.97417	0.7
70.57452	0.6
70.98563	0.6
79.97392	0.7
97.02939	3.4
98.01886	1.1
98.02471	22.6
99.00855	1.6
115.19968	0.8
119.04915	2.2
125.09730	9.7
131.97330	0.7
136.07738	0.9
163.11301	4.9
180.13997	6.8
181.12364	15.0
207.08333	1.3
207.10271	38.0
218.08263	3.8
224.12944	6.9
225.11336	31.1
300.19711	1.1
344.18555	5.9
362.19772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39614	34.9
77.36386	44.7
81.22904	37.1
83.99558	42.1
88.04036	62.2
88.18510	35.8
90.46092	44.3
91.43555	43.4
92.23097	44.8
94.76255	42.2
95.80875	39.1
100.95705	39.3
162.61279	43.7
188.35458	43.3
354.74429	42.6
362.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01934	0.8
58.02989	3.5
59.01376	3.8
62.09732	0.8
62.67231	1.0
62.75155	0.8
63.91426	0.9
84.04546	10.0
100.07664	12.5
102.05605	85.3
125.97993	1.0
155.93484	1.0
164.77849	1.1
217.07104	1.3
250.07518	1.1
267.44116	0.9
302.16861	5.8
342.02423	0.9
362.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74985	0.4
67.79817	0.4
71.01383	7.0
72.99297	2.1
80.75089	0.5
85.02964	1.1
87.00891	1.2
89.02457	0.8
98.45514	0.5
106.88280	0.5
111.00857	2.2
115.00359	33.0
117.98951	0.5
133.01430	100.0
150.85048	0.5
166.48653	0.5
191.01993	2.1
191.05618	30.1
303.00430	0.7
363.03329	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23163	0.6
56.55744	0.6
65.28050	0.7
71.01385	6.8
71.11330	0.6
72.78773	0.6
72.99310	0.9
79.29755	0.7
81.55002	0.6
89.02449	1.1
113.01667	0.8
115.00359	32.1
133.01430	100.0
164.02519	0.7
173.04494	0.8
173.19998	0.7
189.48367	0.8
191.05632	30.1
193.00531	0.7
195.24530	0.8
311.93729	0.9
363.03378	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09617	0.5
59.01376	1.2
63.39380	0.5
71.01376	2.2
89.02432	1.0
93.31254	0.6
96.96971	1.3
99.00878	5.0
99.92582	8.7
100.93355	72.5
101.02435	0.6
113.02407	0.6
115.92067	100.0
116.92851	42.4
142.94424	3.5
170.93925	2.6
179.03499	0.6
180.03917	0.7
182.97728	0.6
184.95497	0.7
184.99133	4.4
200.05408	0.7
201.05540	0.8
201.12521	1.3
226.96587	1.0
227.00157	0.8
232.85652	0.5
254.99803	0.8
274.03033	0.6
292.68933	0.5
308.41956	0.5
325.76608	0.6
327.01907	4.5
345.02863	30.7
345.07047	1.2
363.03961	40.1
363.13281	0.8
363.16971	0.8
370.17905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
59.22866	0.9
68.38259	0.9
70.58574	0.9
74.64365	0.9
81.03460	7.1
81.35549	1.0
83.05033	5.2
88.87310	1.1
89.52870	1.0
90.24799	1.0
93.03444	5.1
97.49429	1.0
103.78059	1.2
107.00216	1.1
109.02950	2.1
111.04507	55.6
119.05018	4.8
127.04012	100.0
137.02469	7.8
145.93956	1.1
155.03505	57.1
163.04050	5.1
165.67181	1.1
190.67691	1.0
196.74997	1.2
199.02525	44.9
208.01436	1.3
217.03540	1.3
236.88719	1.2
299.48950	1.3
387.14706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71153	1.0
54.33464	0.8
59.01390	3.6
62.47799	0.9
81.03460	6.5
83.05018	7.0
89.84365	0.9
91.10368	1.0
91.49474	0.9
93.03455	6.7
109.02943	2.0
111.04510	55.5
119.05023	5.6
127.04011	100.0
132.27837	1.0
137.02464	7.9
155.03506	56.9
163.04008	6.6
199.02492	45.7
217.03542	4.5
292.40848	1.1
363.16400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43553	1.0
54.17659	0.9
54.79480	0.8
59.01364	3.4
65.06678	1.0
65.70208	1.0
81.03461	7.2
83.05025	5.9
93.03450	2.4
94.52874	1.0
109.02960	5.0
111.04514	63.4
115.03994	2.0
119.05027	9.8
127.04009	100.0
137.02426	8.6
142.81764	1.1
150.85175	1.0
155.03503	63.8
163.03996	11.8
199.02509	55.1
199.04391	1.4
248.00327	1.4
276.93021	1.2
316.18781	1.2
357.94363	1.1
362.31369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71234	0.5
53.35057	0.6
59.01372	6.6
66.18211	0.7
71.01393	1.0
71.36950	0.6
76.01988	0.7
81.03470	5.3
82.02983	0.7
83.05035	4.9
93.03455	3.6
101.02444	0.7
109.02948	3.9
111.04516	52.7
113.02441	0.9
117.18188	0.6
119.05009	5.9
119.39806	0.6
127.04009	100.0
137.02449	7.4
155.03510	55.9
155.04849	0.8
163.04010	5.3
164.03499	0.7
176.53281	0.7
191.97491	0.7
195.80075	0.9
199.02507	45.3
217.03537	1.3
287.10397	2.8
290.05673	0.7
331.09433	1.1
363.12238	0.9
363.16727	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84711	1.0
72.99319	2.0
81.03446	3.9
83.05037	5.2
93.03436	1.9
100.90209	1.1
101.87191	1.1
109.02972	1.6
111.04517	48.6
115.04006	1.4
119.05027	13.7
127.04012	100.0
129.05609	2.0
137.02458	4.8
148.97339	1.4
155.03513	74.9
157.94054	1.2
163.04010	7.0
199.02505	74.6
217.03551	53.0
246.94255	1.2
298.94186	1.3
316.78021	1.3
363.07175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.5
63.91202	1.4
72.99300	2.1
81.03440	6.6
81.15997	1.5
81.45785	1.2
83.05033	7.0
93.03432	5.9
109.02887	1.8
111.04508	50.8
119.05016	14.8
127.04004	100.0
129.05568	1.8
137.02425	8.5
155.03497	80.4
163.04013	8.2
199.02492	59.2
217.03529	51.3
217.05603	2.4
244.34441	1.5
330.61194	1.7
341.61398	1.6
363.07391	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68934	1.0
59.01373	1.7
81.03468	4.6
83.05025	5.2
93.03436	1.7
109.02941	1.8
111.04510	54.7
119.05032	4.5
127.04008	100.0
136.79822	0.9
137.02466	6.9
154.87723	1.1
155.03505	55.1
163.04034	7.3
177.57137	0.8
199.02505	42.4
217.03551	1.3
219.79977	0.9
228.71431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.4
61.57785	1.2
68.11698	1.1
69.03436	1.2
69.73651	1.0
71.01358	1.4
71.55098	0.9
76.58192	1.1
76.79025	1.2
81.03457	8.0
83.05040	5.1
91.52571	1.1
93.03461	3.1
107.97688	1.2
109.02941	1.4
111.04515	62.4
119.05020	7.8
124.67033	1.3
127.04005	100.0
134.75412	1.3
137.02440	8.0
155.03497	59.7
160.45131	1.4
163.04019	6.5
199.02516	54.5
201.11401	2.2
217.03566	10.7
247.11652	1.5
270.81113	1.4
303.14337	1.4
363.07327	2.3
363.16837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
63.16148	0.5
65.86879	0.6
71.01363	0.8
73.02957	2.3
77.92362	0.5
81.03473	6.9
83.05025	5.8
85.97807	0.6
89.02428	0.9
93.03461	4.4
101.02455	2.1
109.02928	3.5
111.04510	53.3
111.19815	0.6
119.05005	9.5
127.04007	100.0
137.02448	6.2
155.03502	70.8
163.04013	10.1
199.02501	51.8
201.11409	0.7
217.03555	11.0
363.07452	1.2
363.16449	3.3
363.23636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20665	1.6
59.01378	2.4
82.02984	40.3
96.17249	1.7
99.92131	1.6
111.04521	19.1
118.51169	2.0
122.06146	2.6
127.04013	32.8
136.04042	24.3
150.82217	1.8
155.03526	19.0
164.03532	57.9
194.04597	35.8
195.05383	12.7
196.06122	36.0
199.02522	14.4
201.09279	2.1
202.08803	2.6
204.06703	2.8
217.03598	9.9
225.82243	1.8
231.07712	2.3
244.09747	10.6
245.09329	2.8
258.06525	4.0
259.07300	2.4
259.10977	3.1
270.07736	15.0
271.07169	2.5
272.07986	2.8
287.10419	100.0
291.09839	3.0
319.12976	2.6
331.09387	86.0
349.83374	2.1
363.12051	41.0
363.16415	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42210	4.2
59.01379	26.5
71.01381	7.7
82.02972	39.9
83.01364	8.8
111.04522	10.7
126.66824	4.5
127.03986	36.6
136.04048	22.5
144.49438	5.0
155.03519	19.5
164.03557	70.2
172.04071	5.3
194.04585	31.4
195.05373	7.2
196.06143	26.0
199.02538	8.2
201.11340	6.1
233.98868	4.9
244.09950	6.2
287.10422	100.0
331.09445	83.9
363.12335	44.9
363.16394	13.7
369.18887	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36024	0.9
59.01377	1.2
62.74210	0.8
63.10336	0.9
72.00897	1.9
72.99329	0.9
79.60802	1.0
82.02980	7.7
85.02950	4.5
86.82607	0.9
91.05523	12.4
95.05022	1.0
96.04545	1.9
107.05013	1.9
111.04518	3.3
118.06640	14.8
124.07626	1.0
125.06043	9.6
127.04011	4.6
127.07655	3.7
147.04539	8.6
155.03534	1.5
164.07208	16.3
167.10878	1.6
168.06645	4.5
178.47758	1.0
180.00389	0.9
180.06662	1.3
199.02397	2.3
214.84006	1.2
271.23523	1.1
272.13104	6.8
289.18130	1.7
316.11929	100.0
327.21786	1.2
363.11548	1.2
363.18362	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24289	1.2
55.01878	1.8
59.01383	46.0
69.84010	1.4
71.01379	38.5
73.02945	10.2
74.01598	1.6
77.26170	1.7
83.01395	3.8
85.02946	11.4
89.02443	29.9
89.19061	1.7
95.01386	1.9
99.00872	29.5
101.02438	42.6
113.02433	21.3
119.03504	10.0
143.03462	1.9
144.01579	1.8
161.04539	17.8
250.02544	1.8
263.11374	100.0
300.06592	2.3
363.12607	3.4
363.16779	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09953	0.2
52.55791	0.2
56.10583	0.2
59.01369	1.8
59.14691	0.2
65.28117	0.2
67.01895	3.7
71.01369	1.7
73.02938	0.9
83.01398	0.4
85.02941	1.5
85.41357	0.2
89.02445	0.4
101.02429	2.4
111.00871	100.0
113.02440	0.4
119.55801	0.2
161.04573	0.4
251.11420	1.6
274.45639	0.2
347.41284	0.2
363.13098	1.4
363.16974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.60321	1.4
57.03424	1.4
57.50377	1.3
59.01378	27.6
66.40702	1.2
69.47782	1.4
70.66112	1.3
71.01382	45.3
72.99282	1.4
73.02934	17.4
83.01395	6.0
85.02948	21.7
89.02454	3.7
95.01421	1.9
99.00880	40.6
101.02436	45.1
101.06074	21.9
111.04517	16.8
113.02450	21.3
119.05029	6.0
127.04013	30.6
134.08148	1.6
137.02434	2.7
137.53282	1.7
140.07178	2.9
155.03490	23.4
159.02872	2.6
161.04543	25.1
163.04074	2.4
199.02499	20.6
216.98369	1.6
217.03516	7.4
263.11371	100.0
333.77249	1.5
363.12650	9.1
363.16724	3.6
386.98160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80120	1.6
59.01383	100.0
71.01377	41.1
72.89054	1.6
77.30370	1.7
85.02937	9.6
86.51447	1.8
89.02432	65.0
89.86411	2.2
93.16034	1.9
96.71931	2.1
97.02953	2.6
101.02441	33.5
102.74703	2.2
113.02422	21.6
115.04000	19.4
119.03503	26.7
134.85138	1.8
143.03506	2.8
165.05565	8.2
169.53690	1.9
179.05621	2.6
200.92792	2.2
218.12256	2.1
241.05096	7.8
256.07458	10.3
265.09293	92.7
315.08719	2.2
363.12585	19.2
363.17108	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.7
59.01381	44.6
68.63749	2.0
71.01385	61.3
73.02936	25.7
81.03450	2.7
83.01392	11.1
85.02938	26.3
89.02431	10.8
95.85643	2.3
99.00880	56.9
101.02442	54.2
101.06075	21.2
111.04509	30.9
113.02473	28.6
113.86094	2.6
117.01855	2.5
119.05006	11.0
127.04015	65.8
155.03517	43.5
161.04576	30.9
163.03957	4.5
189.05653	4.2
199.02489	36.6
217.03572	28.6
263.11349	100.0
265.34152	2.5
292.85315	2.6
363.12637	12.1
363.16760	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.7
59.01381	44.6
68.63749	2.0
71.01385	61.3
73.02936	25.7
81.03450	2.7
83.01392	11.1
85.02938	26.3
89.02431	10.8
95.85643	2.3
99.00880	56.9
101.02442	54.2
101.06075	21.2
111.04509	30.9
113.02473	28.6
113.86094	2.6
117.01855	2.5
119.05006	11.0
127.04015	65.8
155.03517	43.5
161.04576	30.9
163.03957	4.5
189.05653	4.2
199.02489	36.6
217.03572	28.6
263.11349	100.0
265.34152	2.5
292.85315	2.6
363.12637	12.1
363.16760	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67566	1.2
53.84692	1.0
55.01887	2.2
59.01105	2.6
59.01383	56.3
71.01379	39.6
73.02935	10.8
82.02970	1.6
83.01390	3.6
85.02953	17.9
89.02449	27.1
99.00877	28.6
101.02447	41.8
113.02460	25.2
119.03462	11.7
127.04021	1.9
145.02966	9.0
145.33841	1.7
159.02969	1.8
161.04546	16.3
164.03587	1.7
179.05698	1.7
189.05734	1.9
240.87189	1.4
258.06406	2.0
263.11383	100.0
287.10513	2.5
325.09381	3.4
331.09494	2.2
363.12579	7.2
363.16702	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77125	1.2
53.96533	1.4
59.01388	38.1
71.01380	12.2
73.02933	7.5
78.93146	1.6
85.02947	3.6
89.02435	11.2
90.03548	1.4
99.00842	2.1
101.02435	9.4
113.02428	7.0
124.72272	1.5
143.07101	3.8
154.16258	2.0
161.04636	2.5
173.91258	1.6
183.10388	2.1
201.11336	100.0
223.42940	1.5
287.14206	1.6
304.35303	1.6
363.16644	59.0
363.20410	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78923	1.0
58.96316	0.9
59.01385	100.0
63.07278	0.9
64.27563	0.8
71.01377	1.5
71.60052	0.9
71.63262	0.8
72.99319	1.3
73.02941	1.0
75.00877	1.7
77.77454	1.0
79.95741	1.7
83.05039	1.7
101.02438	3.7
111.00886	1.6
111.04489	8.0
113.02438	1.3
119.05025	1.7
127.04018	15.6
135.02983	1.6
137.02451	1.3
139.11313	13.2
146.29834	1.1
155.03546	10.0
158.68494	0.9
163.03943	1.6
171.02022	0.9
171.10300	1.2
178.88736	0.9
183.10263	11.0
191.05579	1.3
199.02472	8.7
201.11334	44.8
217.03563	3.8
219.04953	1.4
273.13263	1.0
331.06458	11.1
363.16327	7.1
363.23578	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
59.01102	1.7
59.01383	32.1
64.85426	1.0
71.01384	32.4
72.99275	1.1
73.02946	5.1
79.81297	1.1
83.01390	2.7
85.02964	10.9
85.06576	1.1
86.67579	1.1
87.00879	6.5
89.02448	11.8
89.56436	1.1
99.00847	1.1
99.04516	2.3
101.02443	17.0
113.02464	13.3
115.00407	1.1
119.03490	5.1
129.09195	7.1
130.55894	1.2
139.11307	8.6
141.09259	2.6
161.04582	2.7
165.01950	1.2
183.10246	2.6
201.11354	21.7
203.12935	2.1
218.91800	1.1
255.06458	1.1
272.49747	1.1
312.10977	1.1
351.32663	1.0
363.09521	2.6
363.16675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90018	1.2
59.01386	34.6
59.01672	1.3
71.01382	30.7
73.02902	1.5
83.01385	1.3
85.02985	5.0
85.06597	7.2
85.07066	1.3
89.02449	5.6
97.02949	2.9
99.04518	2.2
101.02435	9.2
113.02438	6.6
115.04017	8.4
119.03490	2.0
129.09224	27.0
137.09720	2.5
139.07617	1.5
139.11284	9.7
157.12349	2.9
161.04544	2.6
169.79375	1.5
189.88844	1.7
201.11349	100.0
213.04047	5.8
216.08470	1.5
363.12729	5.6
363.16730	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1821
Annotation	Cinncassiol C2
Peak:m/z	Relative Intensity
59.01381	15.9
71.01350	1.6
93.59351	1.5
96.96021	2.8
98.05499	2.0
100.54954	1.5
108.02216	2.0
120.46711	1.7
121.02972	2.1
123.04509	18.1
135.04500	8.6
167.03513	2.2
176.08408	3.0
189.09258	8.1
189.12793	2.0
190.09991	3.2
191.10860	10.8
192.11598	4.2
198.09526	2.0
199.57028	1.7
203.10799	10.6
234.09103	7.1
236.10587	4.3
259.17075	41.4
264.99539	1.8
294.11240	3.9
303.16089	4.0
319.19122	3.0
327.21783	9.8
363.11136	2.7
363.14590	6.5
363.18237	100.0
369.71585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96705	1.1
63.91713	1.1
68.39919	1.0
85.02945	4.5
88.38004	1.1
96.21019	1.0
97.06599	1.9
106.68319	1.2
111.10559	1.2
116.17294	1.0
130.66206	1.1
152.48488	1.2
171.10249	16.9
183.13803	1.1
200.80389	1.2
201.11301	1.9
211.13435	15.0
221.11902	2.1
229.14413	12.6
242.65068	1.3
282.78705	1.2
291.19727	1.7
325.20111	1.6
327.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82339	1.3
58.75854	1.3
60.77462	1.5
71.90176	1.6
84.02152	3.8
95.91640	1.4
127.11277	2.7
137.09723	19.4
155.10777	36.6
171.10271	100.0
201.11330	3.0
213.11188	2.8
216.84727	1.8
247.12668	1.6
275.22849	1.8
290.23621	1.7
327.11331	1.9
327.21826	51.1
363.18030	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09599	1.1
84.02164	7.1
92.75860	1.3
108.27087	1.4
127.11303	3.2
128.86755	1.3
137.09708	21.2
139.16046	1.8
142.03166	1.6
149.09767	1.7
155.10774	40.4
171.10265	100.0
201.11296	2.9
213.11227	1.8
215.33551	1.6
291.35083	1.6
327.21799	65.9
363.18365	1.7
385.44193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92676	0.5
58.77226	0.6
59.01381	10.3
60.12991	0.6
71.01381	8.1
73.02938	2.8
83.01392	1.1
85.02947	3.6
87.00883	1.4
89.02436	1.0
91.19594	0.7
96.96008	1.0
101.02447	6.8
108.63165	0.7
110.24675	0.8
111.00901	1.0
113.02441	4.4
119.78284	0.7
130.08754	0.9
201.14983	36.2
243.15982	0.8
263.75223	0.7
273.26614	0.7
290.50760	0.7
345.19315	4.4
363.20303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67118	3.4
62.84814	4.3
71.84805	3.6
81.35562	3.6
92.82390	4.2
93.48387	4.4
95.46101	3.7
98.48259	4.5
98.91290	4.6
105.54377	3.8
127.04006	4.2
211.51727	5.1
223.43111	4.4
295.26566	4.4
315.23035	5.2
348.11438	4.3
356.01813	4.5
363.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03215	9.1
57.65078	8.9
62.99339	9.9
68.97634	8.6
70.93169	10.6
85.79664	9.9
96.96014	15.2
120.63391	8.9
121.60400	10.4
125.12139	9.3
128.12981	9.7
134.61722	8.9
140.26335	9.7
273.34912	11.6
273.88522	10.3
274.46637	9.5
274.88083	10.6
284.47119	12.5
295.07266	10.6
345.24371	40.7
363.25500	100.0
386.10110	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80124	3.0
71.35296	3.3
81.14171	3.8
99.98195	3.8
132.09988	3.6
161.27885	4.5
277.21744	100.0
335.39142	3.8
363.25421	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
68.26689	0.6
71.01381	2.8
78.72161	0.6
125.09689	1.2
127.11287	0.6
129.09212	1.4
141.09232	2.7
143.10762	0.8
144.55894	0.6
150.28844	0.6
153.09238	0.7
155.10774	0.7
163.39409	0.6
171.10260	29.1
180.15753	0.6
180.50226	0.8
185.11823	6.0
197.11804	3.0
201.11336	30.5
203.12910	1.1
209.11974	0.9
213.11319	14.0
215.12943	0.6
233.13913	0.6
309.20627	0.7
327.21802	2.7
345.22781	10.3
363.23920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2521
Annotation	11-deoxy-16,16-dimethyl-PGE2
Peak:m/z	Relative Intensity
52.71399	0.3
55.77147	0.4
55.91046	0.3
57.76545	0.4
62.53396	0.4
63.41854	0.4
70.18094	0.4
70.55885	0.4
92.36362	0.5
131.87845	0.4
141.48077	0.4
243.77167	0.5
279.19540	0.8
287.20010	0.8
295.26395	7.8
307.22601	0.9
313.21506	2.5
315.23050	10.2
330.15436	0.5
333.24203	0.8
335.25656	4.8
347.22076	2.4
363.25232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16399	0.8
59.01378	11.9
61.93004	0.7
164.96503	0.9
206.11130	0.9
216.78978	0.9
281.24884	100.0
363.25220	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47408	0.6
57.03450	3.8
60.46968	0.6
73.95651	0.7
77.37657	0.6
85.02940	11.6
103.04008	67.9
113.80289	0.6
121.93858	0.7
277.21744	100.0
284.61218	0.7
320.57166	0.8
350.23029	0.7
362.43414	0.8
363.25381	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2544
Annotation	Prostaglandin A1 ethyl ester
Peak:m/z	Relative Intensity
58.50834	0.9
60.60545	0.8
66.91918	0.8
74.77036	0.8
118.79170	0.9
149.72119	0.9
151.07620	1.1
165.12846	1.1
179.10905	1.2
179.14441	5.9
193.50481	0.9
243.27046	1.1
293.17676	2.3
301.25464	6.0
327.23447	1.6
345.24380	100.0
363.21112	2.3
363.25488	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2545
Annotation	16,16-dimethyl-PGA1
Peak:m/z	Relative Intensity
54.60995	0.7
57.29762	0.7
59.01368	1.1
71.54733	0.9
74.26174	0.8
81.51231	0.8
82.11660	0.8
84.90278	0.9
96.95998	1.9
123.04497	2.1
128.79988	0.8
179.10829	3.3
179.14453	5.9
183.13896	1.0
224.25211	0.9
227.20189	6.1
242.47363	0.9
277.18127	1.3
279.19717	5.3
301.25513	6.0
327.23389	1.4
344.68271	1.0
345.24399	100.0
349.95123	1.0
363.25525	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88551	0.5
74.00926	0.5
151.11237	0.5
152.21596	0.5
157.14665	0.6
165.12823	0.7
345.24319	2.3
363.25443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
78.90390	0.6
84.14674	0.7
90.30235	0.6
105.82813	0.7
221.19174	1.0
247.17125	0.8
265.21759	14.0
301.25330	1.1
309.08005	0.8
345.24408	9.8
363.25473	100.0
384.03937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17578	0.5
96.96001	2.5
112.91260	0.6
119.73660	0.6
125.15672	0.7
127.11266	0.6
129.77002	0.5
130.22224	0.6
133.10242	0.8
151.11276	20.1
154.37184	0.6
155.38805	0.6
164.89272	0.7
165.12857	2.1
167.14409	6.7
211.13390	6.6
229.14415	3.5
277.21750	1.2
301.25082	0.8
319.26434	0.7
335.25928	10.0
345.24426	6.4
363.25452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43377	0.8
54.34371	0.7
57.03451	1.8
59.01369	1.4
61.45620	0.9
67.18027	0.9
70.49707	1.0
80.61128	0.9
85.02939	9.6
103.04013	67.9
103.04713	2.2
127.03030	1.0
222.78922	1.0
244.20914	1.1
259.48749	1.1
277.21741	100.0
336.17419	1.0
363.25400	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69217	1.3
59.01396	1.4
72.15855	1.4
79.24273	1.3
91.59976	1.4
101.62868	1.5
126.01940	1.6
146.19963	1.6
151.26752	1.5
169.12325	1.6
179.10782	2.4
179.14362	2.3
193.12305	2.3
277.17960	1.9
301.25491	2.2
345.24368	61.2
363.25485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57470	1.2
60.86720	1.2
63.71009	1.3
98.98519	1.7
129.75160	1.5
152.66164	1.5
165.12842	2.9
179.10818	2.4
179.14453	2.6
183.13969	1.9
301.25443	2.0
307.19119	1.9
308.19965	2.2
345.24365	62.3
363.25452	100.0
363.29880	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07689	0.5
65.17545	0.7
72.79587	0.7
78.95432	0.6
105.85095	0.7
141.47546	0.7
149.79286	0.7
150.07675	0.7
277.21747	100.0
292.97290	0.8
306.13181	0.8
359.50095	0.8
363.25598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
92.22471	2.2
137.54765	2.1
142.17773	2.1
145.91656	2.0
146.59601	2.1
190.06659	8.2
210.09604	1.9
232.04030	20.3
233.04842	22.0
234.05588	38.6
246.05499	9.1
260.03433	18.2
261.04181	3.2
262.05118	100.0
263.05920	8.1
264.06589	7.8
288.03024	3.3
290.04602	92.3
291.05490	15.4
292.06168	19.8
318.04184	26.3
319.04926	40.1
320.05658	55.2
364.18253	2.1
364.23956	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17171	0.4
76.75671	0.5
78.95906	31.1
78.96371	1.1
96.96955	100.0
99.17816	0.6
294.45932	0.5
299.00406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20940	0.7
71.69995	0.7
79.83740	0.8
96.96018	1.0
97.28756	0.7
108.98261	0.7
132.71964	0.8
172.19960	0.8
234.05504	5.9
235.59918	0.8
262.05099	10.7
277.03720	1.1
278.04602	1.5
305.03333	28.5
306.04114	30.1
320.05649	35.3
321.06219	5.7
333.03079	0.9
334.03610	100.0
335.08051	5.9
336.08838	3.5
348.05072	1.6
349.05957	19.5
364.08279	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0831
Annotation	Laurodionine
Peak:m/z	Relative Intensity
55.78229	0.6
58.93826	0.6
59.01365	0.8
61.98875	0.7
62.34910	0.7
62.52678	0.6
62.99548	0.6
65.19555	0.7
73.64072	0.7
77.37680	0.7
86.96329	0.7
102.80090	0.7
111.87788	0.8
131.79218	0.8
145.63600	0.7
190.09885	0.7
191.17448	0.7
234.05650	7.3
262.05072	9.9
277.03720	1.2
278.04617	1.6
292.05942	0.8
305.03348	28.9
306.04095	29.8
320.05676	36.3
321.06546	5.8
334.03616	100.0
335.07935	6.4
336.08975	1.4
348.05145	3.8
349.05933	23.7
364.08307	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55560	0.5
59.01377	1.2
60.44434	0.4
61.83173	0.4
68.60419	0.5
71.01388	0.6
72.00897	4.7
73.02962	2.0
74.02470	6.2
85.47042	0.5
89.02440	0.6
101.02447	14.1
104.03539	100.0
130.08768	1.2
146.04544	2.0
174.36873	0.5
176.05659	15.0
184.00797	0.9
184.76280	0.5
188.05812	0.6
219.82373	0.5
327.59741	0.5
364.12552	2.4
380.02884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99216	76.4
57.68882	80.9
71.01397	76.3
74.05553	88.6
76.94321	74.2
78.36517	75.2
78.89655	70.8
140.96980	88.5
184.67764	85.4
229.23505	100.0
261.39474	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27380	78.4
71.01388	100.0
85.72163	94.3
88.55680	75.0
311.31555	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49904	2.0
63.95629	2.1
88.04036	100.0
96.88268	2.0
178.25095	2.2
182.60355	1.8
242.37808	2.3
346.24408	3.4
364.25037	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14145	1.0
56.02229	0.9
58.21198	0.9
60.99302	1.2
63.40479	0.9
63.74152	0.9
67.89849	1.1
72.04530	2.2
74.02467	64.7
74.41482	0.9
77.07851	0.9
84.04533	2.2
104.03529	14.9
127.50958	1.0
177.60580	1.1
202.58839	1.1
240.22417	1.0
259.20593	4.5
289.01965	1.2
289.95389	1.1
290.25034	1.8
302.25027	9.3
316.22946	11.1
334.23938	17.7
343.26840	1.1
364.24976	100.0
386.47855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2864
Annotation	Melophlin P
Peak:m/z	Relative Intensity
53.97021	0.6
55.44057	0.6
58.02976	3.5
58.50348	0.7
78.29599	0.6
84.04534	8.2
85.02948	0.9
86.42165	0.7
92.02570	0.9
92.22386	0.7
100.07669	12.9
102.05609	71.2
109.92417	0.7
121.74687	0.7
125.65498	0.7
152.06407	0.7
174.80394	0.8
246.44759	0.8
261.22244	1.3
278.25000	1.1
318.28101	3.0
320.29694	3.1
346.27563	2.9
364.28635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
71.01372	2.3
78.95907	1.9
89.02467	1.4
96.96961	6.1
101.02396	1.3
102.84001	1.2
108.02168	12.6
113.02472	2.0
122.03702	2.0
123.04497	18.5
151.02628	9.6
152.01167	17.8
167.03502	100.0
191.05542	2.3
199.89272	1.2
200.06783	1.2
210.57262	1.4
249.08852	1.3
267.07397	12.4
329.08841	25.6
365.09323	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27046	1.1
59.01382	2.6
66.13683	1.2
66.40058	1.2
78.27492	1.4
92.22541	1.7
105.71886	1.2
108.02188	12.2
123.04503	16.6
127.70889	1.3
140.07300	1.2
149.56053	1.3
152.01140	23.2
167.03500	100.0
284.59595	1.6
294.99292	1.5
307.87164	1.4
324.28250	1.3
329.08853	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
71.01372	2.3
78.95907	1.9
89.02467	1.4
96.96961	6.1
101.02396	1.3
102.84001	1.2
108.02168	12.6
113.02472	2.0
122.03702	2.0
123.04497	18.5
151.02628	9.6
152.01167	17.8
167.03502	100.0
191.05542	2.3
199.89272	1.2
200.06783	1.2
210.57262	1.4
249.08852	1.3
267.07397	12.4
329.08841	25.6
365.09323	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.109
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	4.1
93.03452	4.1
111.04499	11.2
115.00346	10.6
125.02403	2.8
133.01424	36.4
135.02966	4.5
173.04552	30.6
174.48814	2.7
177.00720	2.7
184.20782	2.5
191.05637	100.0
193.06033	3.7
282.96753	2.9
323.68054	3.1
325.60437	2.3
365.04138	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42324	3.1
61.60366	3.2
86.96713	3.7
93.03434	15.9
95.64016	3.7
107.52926	4.4
119.44397	3.4
119.64809	3.9
125.02421	4.3
173.04529	21.9
191.05635	100.0
355.21808	3.9
365.10077	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
65.95488	1.8
71.01348	3.0
75.00858	2.6
78.95919	2.5
85.02948	3.1
111.04537	4.7
115.00394	3.3
118.01463	65.7
118.02300	2.2
125.91728	1.9
127.03992	4.2
133.01448	7.3
135.02992	14.7
148.19922	2.0
154.76756	2.0
156.06665	2.0
167.03484	10.7
173.09331	3.0
191.05627	100.0
203.01895	2.7
203.10373	3.5
279.36865	2.0
365.04688	4.6
365.09250	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1354
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
59.01382	61.3
71.01384	4.7
72.00893	3.3
73.02927	1.2
74.02451	4.2
85.02969	1.0
89.02465	3.3
92.09479	0.9
92.22479	1.3
100.52548	0.8
101.02444	15.7
102.79889	0.9
113.02438	1.1
114.26838	0.9
116.05053	20.7
142.06636	5.3
159.09291	7.5
161.04535	1.1
171.49863	0.9
183.09293	1.0
188.07187	1.1
203.08282	100.0
245.09348	1.2
247.36308	0.8
263.11536	1.0
275.10388	12.2
305.12393	7.8
365.08600	1.2
365.13266	1.0
365.18079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23962	0.8
56.12360	0.7
57.66738	0.7
58.02988	1.3
59.01381	5.5
59.01659	0.8
69.59057	0.8
70.02972	2.0
71.01382	3.6
72.00896	1.5
72.99312	2.3
74.02469	1.1
82.02968	1.2
84.04546	30.8
85.02945	1.3
96.00911	100.0
96.95975	0.9
98.02442	1.2
99.05611	1.5
101.07199	1.4
109.04084	1.2
110.02408	1.2
110.03672	1.0
111.54195	0.9
114.01936	1.9
117.03477	1.8
122.02461	1.1
123.04517	1.0
125.07104	0.9
127.05125	17.9
128.03555	6.0
129.06712	1.5
137.07198	6.0
138.05623	1.0
138.29710	1.0
149.19162	0.9
153.92375	1.0
155.08275	4.4
157.06165	1.8
177.01918	6.7
187.02470	1.4
191.03575	2.3
205.13455	6.3
231.06694	1.4
231.11440	5.0
232.09718	1.1
249.12444	29.8
261.12524	2.3
303.13489	1.7
329.11478	44.2
347.12549	53.2
365.04993	4.5
365.08957	3.0
365.13419	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99354	1.7
59.01384	22.9
71.01383	12.0
74.00693	9.0
75.00848	3.0
82.02993	4.8
85.02946	2.5
85.62582	2.0
86.02482	14.3
87.00865	40.1
88.98818	2.0
89.02452	20.8
101.02435	10.9
101.04297	20.5
102.05566	2.8
113.02425	11.9
115.03981	4.2
119.03479	2.8
125.07187	7.9
127.05167	2.0
127.08752	18.6
128.03537	100.0
146.90256	2.0
149.06410	9.2
151.05089	2.3
159.60989	2.0
169.06216	8.5
171.07755	60.4
185.03903	9.8
191.05634	4.1
201.99477	2.4
203.04926	2.6
215.06761	13.1
229.02924	28.1
236.09621	4.9
247.03958	4.7
345.85599	2.2
347.12906	4.8
365.05441	14.6
365.10623	18.3
365.14578	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71947	0.5
53.76977	0.5
59.01381	100.0
71.01379	1.4
73.02941	0.9
75.30347	0.5
77.26969	0.6
84.84118	0.6
85.02969	0.6
86.62336	0.7
101.02436	3.9
101.06099	1.1
101.23437	0.5
104.32752	0.7
105.84480	0.6
107.06609	0.6
113.02410	0.8
161.04588	1.0
228.09138	1.3
243.11320	0.7
263.11407	3.4
271.10971	1.3
289.11847	3.4
305.12436	7.8
314.09634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52691	0.7
59.01380	100.0
67.84604	0.7
71.01374	2.7
74.05041	0.6
75.26892	0.7
85.02954	1.3
93.13810	0.7
96.09928	0.7
101.02419	3.0
113.02450	1.5
161.04488	2.4
246.67123	0.7
260.13638	0.7
293.88040	0.6
305.12524	1.6
365.18060	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01380	2.5
72.65283	0.5
73.02953	2.5
77.74304	0.5
85.02978	2.1
89.02466	0.6
99.00842	0.7
101.02440	4.5
113.02414	1.1
117.08683	0.7
120.48544	0.6
150.47102	0.6
154.59039	0.6
165.86505	0.6
207.08723	19.3
207.10483	1.1
365.18262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.00105	0.8
71.01373	5.6
73.02956	1.4
77.53069	0.8
79.14416	0.8
85.02964	0.9
86.03501	0.7
89.02441	4.8
96.13583	0.7
98.16299	0.7
101.02444	5.9
102.66443	0.7
103.39166	0.8
113.02448	3.5
119.03482	0.9
161.04556	3.0
176.53564	0.8
177.21738	0.8
245.10262	3.8
263.11340	8.5
274.85840	1.0
305.12442	15.8
305.15808	1.5
365.18225	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23417	0.6
59.01382	100.0
71.01392	1.9
72.00899	1.8
72.05704	0.8
73.02916	0.9
74.02484	3.6
85.02972	1.1
89.02476	0.9
98.24471	0.8
100.85046	0.8
101.02444	16.0
108.14604	0.8
113.02475	1.2
116.05056	14.5
117.00481	0.7
122.19118	0.8
127.58559	0.8
142.06604	3.7
157.71526	0.8
159.09256	8.0
161.04631	0.9
183.09254	1.6
186.05653	1.2
203.08281	80.9
245.09216	1.6
263.11255	1.0
275.10437	9.9
305.12442	10.5
317.11603	0.9
348.08759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68723	1.5
59.01386	100.0
65.45836	1.6
71.01373	3.2
73.02958	2.3
101.02447	3.9
101.81255	1.9
115.45048	2.1
136.38031	2.2
305.16037	9.9
365.18243	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07998	0.6
59.01381	100.0
60.75161	0.6
71.01373	7.2
73.02921	1.1
73.66411	0.7
75.28307	0.7
84.45148	0.7
85.02937	1.8
89.02426	3.9
99.00916	0.9
101.02451	5.9
113.02439	1.3
119.03539	1.1
126.62650	0.8
140.11472	0.8
224.46497	0.8
305.12543	3.8
305.16046	23.7
365.18216	1.9
373.33978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01380	100.0
63.65919	1.0
71.01375	45.5
73.02932	6.8
85.02944	8.7
87.00895	1.3
89.02435	62.4
95.01357	1.8
95.22066	1.2
99.40981	1.2
101.02429	30.0
109.06577	5.2
113.02448	23.8
119.03471	20.6
125.01504	1.2
127.07646	2.8
131.03593	1.5
143.03471	2.7
161.04546	1.5
179.05644	12.3
203.12874	13.9
207.33403	1.4
283.01355	1.3
287.83148	1.2
365.14246	3.9
365.18210	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
64.94646	0.7
68.40723	0.7
71.01376	3.4
72.99311	1.9
73.02941	0.8
78.39778	0.7
85.02934	1.5
87.04507	15.3
89.02406	0.9
93.10607	0.7
93.76634	0.8
101.02426	3.1
111.08149	1.4
113.06097	1.7
115.00307	1.4
119.73480	0.9
123.08154	1.7
125.09704	1.0
137.09752	0.8
141.09299	1.7
149.09711	0.9
153.09192	4.4
167.10786	3.9
181.12340	1.0
193.12350	1.4
195.05757	0.8
201.14935	0.8
211.13458	1.5
229.14474	13.8
237.73666	0.8
245.13959	57.5
254.02899	0.8
257.14050	1.2
289.36768	0.9
347.17105	3.7
365.18216	100.0
380.08908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.2
71.01377	16.4
73.02930	1.8
85.02945	7.3
89.02425	22.4
90.35465	1.1
90.36147	1.4
95.01471	1.5
95.76601	1.4
101.02432	18.4
103.04002	2.3
113.02431	8.5
113.59593	1.2
119.03484	6.2
141.31985	1.5
142.52324	1.4
145.04945	1.2
161.04526	1.8
185.11867	10.7
203.12923	7.6
218.40376	1.3
247.41275	1.6
294.11929	1.4
305.12479	1.4
314.80463	1.2
347.17191	2.8
365.14758	5.2
365.18219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82173	0.4
57.03442	1.0
59.01384	15.1
65.09617	0.4
67.21183	0.4
71.01377	3.7
71.05004	0.5
71.16057	0.4
72.99300	5.5
73.02950	2.2
75.00861	0.8
78.16772	0.5
83.01360	0.5
84.02176	0.4
85.02951	3.5
87.04509	17.7
89.02447	4.9
101.02457	4.8
111.08162	2.7
113.02430	1.8
113.06070	3.9
113.09623	0.5
115.00391	3.3
119.03508	0.6
121.06562	0.6
123.08141	2.6
125.09624	0.4
137.09711	0.9
139.07637	0.6
141.09203	3.7
147.11806	0.7
149.09679	2.4
151.07689	0.7
153.09244	4.4
155.10764	2.0
157.08737	0.8
157.12384	0.7
161.04602	0.5
163.07719	0.6
163.11165	0.6
166.71785	0.5
167.10728	4.1
181.12381	2.1
185.11842	2.6
193.12329	2.6
201.14804	0.5
203.12999	0.7
211.13382	2.1
227.12888	1.2
229.14461	16.9
241.14505	0.9
243.12456	2.3
245.13951	67.6
257.13858	0.6
347.17203	6.1
365.18179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16847	0.6
59.01383	100.0
64.72864	0.7
71.01387	1.9
92.23038	1.3
113.02415	1.1
155.03497	1.0
161.04535	1.5
202.81836	0.9
203.01956	1.1
231.16136	1.2
247.12981	0.9
305.16110	3.4
365.13196	1.0
365.18176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
62.33970	0.3
70.16940	0.3
71.01378	5.3
73.02950	2.9
78.43422	0.3
83.01373	1.9
85.02946	3.3
89.02438	2.5
93.42609	0.3
99.00868	0.7
101.02438	9.6
110.43734	0.4
113.02433	4.2
157.12355	1.4
185.11842	1.9
203.12926	8.6
237.12668	0.4
242.42853	0.3
307.50177	0.4
307.89285	0.4
346.21298	0.4
347.16895	0.5
365.18192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.3
62.65820	1.2
67.34842	1.0
71.01361	10.8
73.97668	0.9
85.02945	2.2
89.02441	13.3
101.02449	12.3
113.02433	2.4
119.03488	5.1
157.12308	11.3
185.11880	1.4
187.13452	1.1
199.13342	1.7
203.12914	53.3
218.39104	1.2
276.36859	1.2
305.16180	1.8
365.18192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
60.25621	1.1
71.01378	68.9
76.33049	1.2
79.20706	1.2
85.22411	1.2
88.91046	1.2
89.02431	6.9
96.96026	2.2
107.35500	1.3
115.00386	12.4
133.50720	1.3
135.52225	1.2
140.93170	1.1
217.90526	1.3
222.20189	1.3
234.61951	1.4
249.18613	100.0
273.18002	1.6
293.21179	5.4
347.25906	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
51.18146	0.6
52.38412	0.7
53.94062	0.6
59.01382	5.2
60.99298	0.7
65.64735	0.6
68.40430	0.8
70.77293	0.7
72.27563	0.7
87.05412	0.7
96.96009	2.9
123.08173	1.6
128.27730	0.7
130.70683	0.7
136.04053	6.0
172.34496	0.8
187.23450	0.8
210.07692	1.6
215.37511	0.8
275.20160	5.1
303.19708	11.8
321.20737	54.9
347.18668	5.7
365.19751	100.0
379.91144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43518	1.3
53.37525	1.1
56.42175	1.1
58.58855	1.1
59.01378	5.5
64.09681	1.4
67.87934	1.2
70.13257	1.2
71.21037	1.3
83.05067	1.6
121.10223	5.8
124.44876	1.5
133.14424	1.4
171.10275	8.3
183.10271	5.2
183.13914	7.6
223.13490	1.9
223.17035	20.1
235.17088	12.7
275.20197	32.7
286.15894	1.6
287.62271	1.7
288.59430	1.5
293.21268	100.0
377.76337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2334
Annotation	15-epi-Sibiricinone D
Peak:m/z	Relative Intensity
51.90318	1.5
52.59547	2.1
53.13702	1.7
56.27975	1.3
57.85604	1.5
59.01377	9.5
62.24553	1.5
64.82156	1.7
68.29308	1.4
71.01412	1.6
71.05009	20.7
75.64673	1.6
80.96513	64.2
84.27911	2.0
96.96003	80.1
97.06546	7.6
135.08127	2.2
137.09676	2.6
181.12372	2.8
207.13841	4.5
219.13866	7.2
228.73500	2.1
229.14372	2.1
235.17035	9.0
247.20566	2.2
263.16309	3.1
281.17679	3.6
282.66995	1.9
291.19687	100.0
347.22388	3.0
365.16763	16.2
365.23666	63.8
389.87943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2336
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
52.89808	0.6
53.72346	0.6
54.30048	0.6
54.53836	0.6
59.01385	100.0
94.75587	0.8
96.95986	0.9
116.00578	0.8
121.78333	0.8
158.77510	0.8
181.20763	0.8
209.96661	0.7
227.42726	0.8
229.14372	1.3
235.10172	1.1
251.03712	0.8
287.20181	1.4
305.21246	6.4
365.14612	0.9
365.19739	1.4
386.42023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2333
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
59.01383	15.6
65.65058	1.1
71.01389	13.2
89.02444	16.0
96.95999	3.3
121.10217	2.9
133.38298	1.4
165.55927	1.4
168.15184	1.4
171.10278	6.1
183.13898	1.7
185.11809	1.6
195.13974	10.9
223.13445	7.9
275.20221	19.9
293.21268	100.0
365.23380	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.5
60.40792	0.9
67.27683	0.9
70.94768	0.9
80.96502	10.2
94.11311	0.8
96.95997	1.4
102.71084	0.9
121.10223	14.2
125.09689	7.8
126.31398	1.1
131.79164	1.1
182.78708	1.0
185.11827	16.5
197.11855	4.0
209.11911	1.3
211.13339	1.4
259.79965	0.8
273.18707	1.3
291.19687	100.0
365.16101	3.8
365.23349	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25316	0.7
59.01389	3.3
62.21725	0.7
64.67439	0.8
74.25051	0.8
77.21746	0.7
78.94450	0.7
78.97980	0.7
101.44265	0.9
101.49186	0.7
105.01914	3.7
147.52107	0.8
199.13452	0.8
255.23357	4.7
275.20093	0.9
277.21759	100.0
279.19821	6.7
347.25851	4.3
365.23175	6.9
365.27106	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58710	1.2
59.01368	7.3
68.15852	1.3
75.00873	2.7
78.30406	1.5
79.93533	1.5
80.72881	1.4
81.35495	1.5
81.43221	1.3
87.00862	58.2
94.29978	1.3
105.01931	100.0
119.89171	1.5
139.83368	1.4
184.94254	1.5
199.54109	1.8
249.69417	1.7
277.21753	96.0
283.17096	2.4
345.17068	1.4
365.23361	34.8
365.27527	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29058	82.7
70.31048	80.2
82.10248	81.6
157.11792	79.6
195.77765	100.0
318.95401	94.3
348.95297	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2486
Annotation	(3R)-3-hydroxy-12'-apo-beta-carotenal
Peak:m/z	Relative Intensity
50.44371	1.0
51.84558	1.2
55.01870	1.6
59.01382	9.9
79.05531	2.4
83.05029	1.7
95.05045	2.3
96.96004	36.0
99.92578	10.1
107.05042	2.3
115.92073	9.0
116.92862	17.9
119.08696	1.4
122.27634	1.4
135.08112	2.3
136.35986	1.4
137.09764	6.0
150.38586	1.4
159.08054	1.7
173.09618	2.0
211.11282	2.1
213.12975	2.4
213.16574	7.0
229.65869	1.6
277.10114	1.5
320.16376	1.9
337.25583	9.7
347.09476	3.5
347.23871	7.4
365.10764	12.3
365.19849	4.1
365.24777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
54.02286	0.6
55.96059	0.5
59.01389	1.4
71.01372	0.8
85.04851	0.6
89.02447	0.8
96.96005	2.6
106.29473	0.7
131.44171	0.8
159.92889	0.6
178.45366	0.8
183.88498	0.6
215.01239	0.7
259.20807	0.7
293.21255	0.7
303.26917	3.1
329.24838	0.8
347.25961	100.0
365.23511	2.7
365.27057	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2699
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
51.37464	0.7
59.01374	3.2
84.27423	0.8
105.01957	1.7
163.11209	1.0
165.12907	1.2
181.12300	1.2
199.13419	41.1
208.31660	0.9
255.23363	5.4
277.21671	1.9
311.27008	1.0
347.25916	7.4
365.27002	100.0
365.33664	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.52713	0.4
56.27243	0.5
59.01375	1.3
85.06583	2.5
105.01859	0.5
146.86041	0.5
147.81915	0.5
161.88017	0.6
199.13380	3.7
251.63460	0.5
257.09235	0.6
261.18567	1.1
272.45294	0.6
277.21756	23.4
279.16620	0.7
279.19684	22.3
347.25961	9.2
363.25650	0.7
365.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58425	0.7
53.95606	0.6
59.01360	1.0
68.09073	0.7
70.58134	0.7
71.01373	4.7
79.95933	0.7
105.16230	0.7
135.52444	0.8
148.98808	0.8
240.86473	0.7
259.20657	1.5
293.21280	1.3
303.26984	4.3
329.25003	1.3
347.25946	100.0
365.27005	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2699
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.61888	0.8
56.53397	0.7
57.03455	1.3
59.01388	1.4
73.56322	0.8
85.02942	11.1
85.95951	0.8
103.04010	55.1
128.77727	0.9
208.25517	0.8
208.64023	1.0
279.23318	100.0
365.27051	11.7
371.20233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27782	0.6
57.22597	0.5
59.01371	0.7
59.60376	0.5
59.96550	0.5
81.12982	0.6
105.83461	0.6
118.83743	0.6
140.85556	0.6
179.45128	0.6
243.71458	0.7
322.84647	0.7
333.24393	15.4
365.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.48229	0.8
55.82098	0.6
59.01367	0.9
59.23416	0.8
60.07095	0.7
66.10033	0.7
70.22182	0.8
75.55212	0.7
81.47198	0.8
87.04475	1.8
247.17020	1.3
333.24518	9.3
365.26971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.4
84.18694	6.8
92.23022	9.8
126.45924	6.6
135.26407	6.3
136.99449	6.5
148.26762	6.0
149.07588	6.2
199.13394	8.9
218.62706	6.6
241.77197	7.9
277.21808	48.5
283.82269	7.0
315.43018	7.4
347.25784	10.1
365.23141	10.3
365.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58938	1.3
58.02979	6.7
58.25394	1.4
59.01385	14.8
61.08514	1.6
75.00848	1.9
86.16703	1.8
97.56123	1.9
113.26534	1.7
118.67299	1.6
179.14424	2.8
184.16946	2.1
194.15495	8.3
195.13922	3.3
198.15056	2.3
212.16576	12.1
266.24667	3.1
319.27585	14.9
329.23294	40.4
347.27075	10.8
348.25250	2.7
365.28107	100.0
377.92877	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	6.4
59.01382	10.0
70.02982	1.4
71.26331	1.1
72.99364	1.1
74.59293	1.1
75.00816	0.9
86.37588	1.3
96.96000	2.3
105.55721	1.1
110.97743	1.2
137.09734	6.6
170.11896	8.9
214.27385	1.5
222.18677	5.5
240.19633	7.4
278.24866	1.9
294.41580	1.3
319.27689	16.3
329.23013	10.5
329.26648	1.9
330.24149	2.2
347.27014	9.8
348.25403	2.0
365.28122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74290	54.7
58.11972	48.5
71.43116	58.5
77.42630	54.2
87.04513	100.0
104.37575	70.1
112.96625	54.9
123.36804	59.1
214.77415	70.9
317.45963	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3426
Annotation	Nervonic acid
Peak:m/z	Relative Intensity
52.78997	1.2
59.79093	1.1
65.82398	1.3
70.04783	1.3
76.08620	1.3
116.26849	1.8
365.34271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.062
Annotation	Ekatetron
Peak:m/z	Relative Intensity
54.15091	0.8
64.14749	0.8
65.00379	1.0
68.89924	0.9
93.03431	1.7
101.76615	1.0
150.01599	1.0
234.05524	4.6
250.05144	1.9
262.05023	1.4
263.05838	1.8
265.03741	1.2
278.04617	25.6
292.70041	1.1
293.03278	6.3
306.04099	40.1
307.04736	13.6
308.05588	4.0
321.02811	10.5
334.03229	1.1
335.04453	18.1
336.01584	1.0
336.05215	7.3
338.06799	1.3
341.98782	1.2
366.06216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24977	0.3
59.01373	0.4
62.19723	0.3
65.15805	0.3
73.43056	0.3
100.91171	0.3
103.03041	0.3
143.26373	0.4
144.04579	0.3
159.03267	3.0
160.04054	12.9
161.99590	2.2
163.00389	4.8
186.01984	0.5
188.03542	100.0
224.63977	0.3
322.03360	0.5
350.02924	0.5
351.03873	1.6
366.06216	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
69.98724	0.9
88.55517	0.8
104.95966	1.2
111.62238	1.0
126.20419	1.0
174.84740	1.0
186.36752	1.0
200.59074	1.0
233.04768	2.0
234.05672	2.4
249.04326	21.3
250.05116	5.5
251.05841	7.3
254.82173	1.2
261.04388	1.7
262.05084	5.8
263.05795	1.1
277.03818	92.2
278.04630	37.1
279.05399	35.7
290.04599	6.8
292.06219	26.0
294.07745	5.6
302.71509	1.1
304.23279	1.2
306.04105	22.5
307.04889	56.7
321.06473	2.2
322.07257	14.4
323.98877	1.1
336.01483	1.2
342.90506	1.3
366.06219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
59.83247	1.5
73.78275	1.5
79.95731	13.8
91.01875	9.1
96.96003	8.4
117.03483	16.3
119.04986	1.9
136.99147	100.0
144.04549	1.9
146.57938	1.6
151.00700	19.5
160.04147	1.9
162.01961	2.2
165.02190	6.7
174.01976	3.1
175.02794	3.3
188.03558	3.4
190.01480	9.9
191.03557	3.8
203.02217	6.3
212.02463	1.5
214.14531	1.6
222.06898	2.3
223.07629	2.6
228.16023	7.2
234.05444	1.9
236.07127	3.2
262.05084	7.5
264.06665	23.0
265.07489	8.4
266.08231	5.7
292.06247	15.2
293.07089	22.0
294.07681	13.2
320.05612	1.6
322.07260	38.1
323.05576	7.4
338.06757	24.0
366.06042	7.3
366.10010	3.3
366.19656	6.8
366.24695	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42550	2.5
56.31715	2.3
59.01374	4.3
69.81852	2.6
75.70424	2.3
96.96681	2.4
101.39723	2.7
173.04669	2.6
222.58508	2.7
234.05669	4.3
249.04297	24.2
250.05247	3.7
251.05890	11.9
262.05069	6.3
264.06921	3.5
277.03833	100.0
278.04465	35.4
279.05353	47.8
290.04501	4.7
291.60486	2.8
292.06207	34.8
294.07782	14.2
306.04068	24.7
307.04926	78.7
308.05606	11.9
322.07205	37.0
336.05209	42.1
350.06934	6.0
351.07437	10.5
366.06158	93.9
366.10019	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0623
Annotation	Ekatetron
Peak:m/z	Relative Intensity
50.48023	1.7
54.14604	1.6
62.48230	1.8
66.87766	1.9
91.01893	4.9
91.08342	1.8
103.49837	2.2
109.39274	2.6
111.83754	2.4
119.05006	2.1
131.05006	3.3
135.03239	3.2
144.04518	8.7
159.04543	22.2
173.04552	11.6
188.82361	2.5
234.05663	3.2
236.07225	13.6
238.08836	2.3
247.06514	4.0
248.07172	4.3
262.05069	9.2
263.05887	12.3
264.06689	54.0
265.07516	14.0
266.08337	4.9
278.04675	12.2
290.04590	3.6
291.05417	3.3
292.06165	58.5
293.07028	36.8
294.07761	28.3
320.05621	19.6
321.06412	14.7
322.07257	100.0
326.01746	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03977	4.7
91.01889	19.8
93.03472	3.5
96.96001	6.2
109.02869	5.5
117.03460	58.0
119.05016	12.9
136.16916	3.2
144.04507	4.9
147.04498	13.0
159.04489	4.2
160.04071	6.9
162.01945	12.1
164.03506	3.7
165.01897	4.6
174.01953	20.6
175.02750	4.0
188.03535	18.3
190.01428	44.5
191.03470	15.2
203.02260	20.3
208.99489	3.1
221.06117	4.9
222.06909	4.0
223.07649	12.5
223.78616	3.0
234.05647	5.1
236.07127	7.2
237.05536	3.9
247.06665	3.3
249.05571	17.4
250.06372	12.2
251.07118	6.2
262.05173	15.6
263.05988	4.8
264.06638	75.4
265.04965	5.4
265.07486	24.2
266.08282	20.5
276.06558	5.4
279.06281	3.5
290.04587	6.3
292.06241	51.9
293.07101	61.8
294.07803	36.0
320.05325	3.4
321.06503	4.6
322.03610	4.3
322.07263	100.0
323.05493	20.6
338.06766	81.2
344.79178	3.3
366.05896	32.8
366.19659	5.7
372.56924	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03148	1.2
59.01380	2.2
59.74358	1.4
80.08588	1.7
80.53712	1.5
141.19133	1.6
172.04137	2.0
201.58760	1.5
216.02957	1.7
222.05731	3.1
233.04922	8.2
234.05661	7.3
236.07249	1.8
249.04388	23.6
250.05147	3.6
251.05905	10.5
262.05179	18.9
264.06696	2.9
277.03818	97.3
278.04639	48.9
279.05405	44.2
290.04568	8.3
292.06223	33.1
293.06897	3.0
294.07730	8.4
306.04077	32.2
307.04892	94.1
308.05765	15.2
321.06436	6.2
322.07227	42.4
326.59479	2.1
335.04715	2.4
336.01181	2.0
336.05209	60.2
350.06754	11.2
351.03796	2.4
351.07367	11.4
366.06137	100.0
366.09982	62.2
366.19952	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37872	0.2
64.66324	0.2
66.60862	0.2
67.39666	0.2
77.40684	0.2
93.77032	0.2
95.34066	0.3
116.05054	0.3
160.04041	100.0
204.03079	2.9
241.73047	0.3
366.08334	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88793	0.2
53.59494	0.3
54.43534	0.3
63.37020	0.3
73.53085	0.3
79.38042	0.3
89.61567	0.3
100.27491	0.3
101.97172	0.2
107.84383	0.3
116.05023	0.5
160.04041	100.0
179.03889	0.3
204.02980	3.3
212.19312	0.4
303.04651	0.4
366.08347	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
65.63996	0.3
93.49646	0.3
101.69785	0.3
129.80623	0.3
141.67751	0.3
143.90552	0.3
160.04037	100.0
204.03033	2.8
230.17703	0.3
300.66922	0.3
366.08325	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
81.14873	0.3
116.05054	0.6
131.09337	0.3
136.27148	0.3
160.04042	100.0
187.61069	0.3
204.03017	2.8
366.08340	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78984	0.4
56.57374	0.4
56.88978	0.4
59.01358	0.5
59.12149	0.4
75.56630	0.4
76.56152	0.6
99.91840	0.4
101.97700	0.4
160.04039	100.0
204.03032	2.7
264.11777	0.4
366.08328	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39118	0.7
59.01380	20.6
71.01373	5.9
75.00887	1.7
85.02935	1.2
89.02439	6.8
92.22440	0.9
92.24866	1.1
100.47095	0.9
101.02446	6.3
106.18221	0.9
110.15979	1.0
113.02475	1.9
116.05057	4.2
117.98114	1.0
119.03487	1.3
142.06618	83.4
158.06096	7.9
186.03989	2.1
186.05605	42.3
204.06676	30.6
219.28426	0.9
366.11975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50073	0.4
61.49544	0.4
61.91197	0.4
65.03185	0.4
79.18919	0.3
79.95734	20.0
80.96511	2.1
90.38171	0.4
96.95998	2.2
99.08157	2.8
115.07613	3.0
122.97535	0.7
125.09730	3.0
179.03842	100.0
186.11346	9.0
231.54112	0.4
241.52548	0.4
245.36813	0.4
287.32401	0.5
360.82443	0.5
366.15640	0.8
366.19601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.3
68.31360	8.1
80.72110	8.0
85.70226	7.8
98.40526	7.5
108.93636	7.7
169.21269	9.5
171.10294	11.5
201.11414	17.1
202.11708	16.8
275.14661	9.4
324.48224	8.7
330.23724	100.0
366.19821	15.8
366.24033	69.1
384.92325	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09207	10.0
55.13898	11.0
55.48038	9.7
58.92476	10.8
59.01383	20.5
62.79168	10.3
67.68349	10.5
78.33493	11.3
78.95895	16.5
81.03377	11.9
82.44740	13.9
84.26710	12.1
85.48914	12.2
85.70370	12.5
85.70882	13.3
92.22318	12.2
94.76646	12.8
102.27041	16.6
111.95306	14.8
116.66525	14.4
158.38290	14.3
168.22977	13.8
191.35764	13.2
193.05048	12.8
236.32867	11.8
279.72211	14.9
282.15140	17.8
291.05350	18.7
306.07626	26.5
366.06445	18.5
366.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.3
59.28138	9.4
60.27454	8.9
60.72905	9.8
79.69550	9.8
81.57513	10.2
159.76752	12.4
167.03256	10.4
168.39342	9.8
366.24390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09891	11.6
70.27866	8.0
78.40974	9.1
84.56855	9.2
96.81977	9.0
113.98532	11.2
121.02288	9.2
271.40082	10.1
300.12317	11.3
336.04974	12.5
343.50479	10.3
366.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68087	4.1
59.01390	7.2
100.04924	4.7
171.10280	5.9
172.10635	8.4
330.23715	100.0
366.23959	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77027	11.2
64.22659	10.0
64.92066	10.9
67.14658	9.8
72.05290	9.5
73.98397	9.8
85.64068	9.3
125.60445	8.9
234.19391	12.8
251.79323	10.0
330.23676	100.0
366.24341	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2653
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
51.55135	0.9
60.99304	1.2
72.04538	3.9
74.02473	63.7
86.47327	0.9
96.96011	1.5
104.03537	14.7
261.22263	5.8
272.03363	0.9
290.24927	1.4
304.26425	18.9
318.24420	19.8
336.25528	18.1
366.26541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26152	0.5
59.52851	0.5
83.98972	0.5
92.22600	0.7
93.72919	0.5
99.92584	0.6
100.65941	0.5
117.79211	0.6
128.10835	0.7
130.08733	100.0
322.31207	6.1
366.14642	1.0
366.30341	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3016
Annotation	N-octadecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
56.68594	0.6
58.02983	1.5
65.14014	0.6
69.30679	0.7
84.04562	5.6
100.07684	9.0
102.05608	73.8
107.65231	0.8
127.23253	1.0
141.83063	0.7
174.44507	0.7
280.26544	4.1
300.00409	0.8
320.29581	4.5
322.31271	11.4
348.29105	4.1
366.30182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96020	1.3
57.03451	9.2
59.01379	6.3
60.52823	1.2
71.01383	5.7
72.99326	2.2
74.54928	1.5
77.68884	1.6
85.02950	100.0
93.03468	2.2
101.72021	1.3
111.04511	2.9
117.03497	2.6
129.01930	9.6
134.03741	44.5
147.03004	29.5
149.06070	6.3
160.01678	8.7
160.61707	1.5
161.02470	6.9
173.01057	1.5
173.04546	12.2
175.03998	27.2
191.05661	14.1
193.05057	52.9
276.39487	1.7
323.07782	29.4
367.06439	5.2
367.10416	16.6
387.49344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61066	0.7
57.03455	8.0
58.36467	0.8
59.01379	5.2
65.28362	0.8
68.94433	0.8
71.01375	5.2
72.99298	5.1
75.00871	1.3
75.82790	0.8
83.01400	1.3
85.02946	100.0
91.21532	1.0
91.74847	0.9
92.23094	1.7
93.03447	3.4
117.03429	4.6
129.01927	5.5
132.02296	1.1
134.02721	2.0
134.03743	62.1
147.02995	36.7
149.06082	10.1
155.03531	1.7
160.01634	10.1
173.00929	3.7
173.04578	6.4
175.04016	35.6
187.69838	1.1
191.05652	8.4
193.05072	77.5
217.01508	1.3
232.03755	1.1
247.05998	0.9
261.07568	1.6
323.07770	26.6
323.11530	1.5
367.06595	6.0
367.10413	14.8
367.15564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
57.62260	0.7
59.01377	14.3
67.01882	1.3
71.01382	3.9
85.02947	100.0
93.03448	11.3
98.81466	0.8
100.47937	0.8
103.91429	0.9
111.04512	3.8
134.03745	16.9
137.02437	3.7
143.95100	0.8
144.04904	0.8
147.03004	23.8
149.06079	1.8
151.68658	0.8
155.03479	3.1
160.01654	13.8
160.94930	0.9
173.04538	57.8
175.04001	32.3
191.01994	39.4
191.05641	9.5
193.05077	15.1
205.47284	0.8
307.17542	1.5
309.05429	1.0
323.07776	16.1
367.06549	4.3
367.10388	10.6
387.10733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.8
59.01379	7.9
60.01385	0.9
66.83812	0.8
67.01884	1.4
71.01386	6.8
72.99300	5.4
74.47472	0.8
74.63126	0.8
75.00868	0.9
83.01373	1.1
85.02946	100.0
85.10338	0.9
93.03448	15.5
103.00372	1.4
103.99129	1.0
111.00876	1.7
111.04507	3.6
129.01918	5.6
134.03731	24.4
137.02435	3.6
137.82236	0.8
141.47717	0.8
147.03003	30.2
149.06056	4.2
155.03517	2.0
160.00505	0.8
160.01627	8.1
161.02307	0.9
162.61807	0.9
167.79037	0.8
173.00836	1.4
173.04546	67.2
175.04004	35.8
178.02805	1.0
191.02023	1.0
191.05621	10.7
193.05089	24.9
261.07742	1.4
323.04114	1.4
323.07748	27.3
360.26019	0.9
367.06653	3.8
367.10669	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82485	1.1
53.65910	1.0
57.03449	7.4
59.01384	10.9
63.10754	1.0
67.01871	1.9
71.01376	6.1
72.99303	6.0
75.00869	1.7
83.01431	1.1
85.02946	100.0
92.23144	1.1
93.03449	17.7
98.77530	1.4
111.00909	1.8
111.04516	2.7
117.03412	1.5
129.01950	6.5
134.03729	24.7
137.02455	5.8
147.02997	34.8
149.06085	7.1
155.03519	2.1
160.01601	8.5
161.02364	1.7
173.00900	1.8
173.04552	72.9
175.04007	29.0
191.05663	5.3
193.05045	24.6
221.20325	1.3
284.10660	1.6
307.17703	1.8
323.07748	29.4
367.06653	6.3
367.10556	10.8
387.10703	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0822
Annotation	Artoindonesianin P
Peak:m/z	Relative Intensity
59.90793	0.4
62.69244	0.5
64.52047	0.5
67.20180	0.5
67.94948	0.6
74.93562	0.6
93.03441	2.7
100.09410	0.5
103.79723	0.5
126.62957	0.6
134.03706	2.6
143.67484	0.6
160.45955	0.6
173.04541	5.8
191.05647	6.0
193.05055	3.4
199.67805	0.6
250.85124	0.7
253.04961	0.9
295.02237	4.8
296.03314	8.5
297.00726	0.9
297.04062	22.5
320.03464	0.9
323.02319	0.7
323.09186	2.3
324.02692	3.7
325.07275	0.7
339.08688	1.0
349.07132	2.8
355.60342	0.6
367.08221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
59.01384	30.4
64.25910	0.8
71.01390	1.9
75.84223	0.8
85.02955	1.7
93.03452	2.8
101.02427	1.4
111.04501	3.1
112.99166	0.9
113.02427	1.4
117.03454	3.7
121.98987	0.9
134.03746	96.6
149.06104	9.3
155.03456	1.7
173.04575	8.7
182.87971	0.8
191.03824	0.8
191.04160	0.7
191.05630	36.9
193.05077	100.0
245.58408	0.8
297.00974	0.8
307.17679	9.7
367.10425	25.4
367.19440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81779	0.7
57.03462	1.0
59.01385	3.8
60.61486	0.6
60.93535	0.7
60.99308	1.1
63.63127	0.6
67.01890	5.2
71.01383	5.0
78.95908	8.3
83.05045	1.0
85.02959	2.0
87.00870	5.9
92.23119	1.0
93.03448	38.3
93.04031	1.4
100.78046	0.8
111.04543	8.0
113.02415	1.3
117.03468	3.3
134.03740	37.8
137.02411	4.3
149.06065	6.6
152.99597	12.1
155.03500	6.7
159.74347	0.9
160.50929	0.8
173.04550	100.0
191.05624	82.2
193.05064	43.6
278.04132	1.2
308.05209	1.1
337.05399	3.2
367.06018	1.9
367.10410	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
82.88918	1.1
93.03477	1.4
98.74557	1.3
102.68214	1.3
111.04520	1.9
117.03455	8.1
134.03741	83.4
145.00317	1.2
149.06113	14.2
173.04532	5.7
191.05600	2.6
193.05083	100.0
367.10364	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64133	0.4
50.86896	0.4
52.06501	0.4
53.91853	0.4
54.40179	0.6
59.01382	28.9
65.59146	0.6
67.01892	3.7
71.01386	4.4
73.02942	0.6
76.12066	0.5
81.03462	0.6
82.88096	0.6
85.02950	1.0
93.03451	24.5
93.34816	0.6
94.11865	0.5
101.02448	1.0
111.00869	0.6
111.04511	5.9
117.03464	2.8
125.25962	0.8
127.37786	0.7
134.03741	33.3
137.02428	4.9
149.06058	3.3
155.03493	5.6
173.04550	100.0
191.05615	13.0
193.05069	32.1
306.33124	0.6
306.37381	0.6
307.17645	7.6
367.10358	17.0
367.19589	0.9
383.76776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45065	1.0
63.65967	1.0
67.39196	1.1
71.43984	1.2
76.08177	1.1
94.57304	1.2
99.61781	1.1
117.03472	7.5
134.03745	80.3
136.24168	1.2
144.28354	1.3
149.06065	8.1
155.03502	4.6
173.04549	6.8
185.28117	1.3
191.05640	2.2
193.05072	100.0
196.81407	1.2
293.50281	1.2
299.34479	1.2
360.31998	1.5
367.10364	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.52385	0.7
56.87866	0.6
62.20973	0.7
71.40092	0.7
101.37652	0.7
111.04494	1.7
115.53223	0.8
117.03448	5.5
134.03737	74.7
149.06053	9.5
155.03468	1.9
173.04546	3.7
191.05623	3.3
193.05069	100.0
254.02068	0.8
367.10339	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50803	0.2
55.00181	0.2
56.36038	0.2
57.03448	0.3
59.01371	1.0
60.99296	1.7
66.24201	0.3
67.01884	4.1
69.03434	1.2
71.01363	1.5
81.03458	0.6
82.59126	0.3
83.05014	0.6
85.02937	3.0
86.90443	0.3
87.00871	8.4
93.03448	27.7
99.00861	0.4
109.02927	0.3
111.04513	5.6
113.02427	1.1
117.03468	0.5
120.16412	0.2
127.04006	0.4
129.01941	1.6
130.12636	0.3
134.03738	10.1
143.03531	0.3
149.06062	1.3
155.03496	1.5
173.04544	9.0
175.03972	0.6
191.05624	100.0
193.05069	9.3
367.10397	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.12319	1.1
52.75615	0.9
71.01402	1.1
77.45797	1.3
82.46071	1.1
93.03449	13.3
102.77921	1.1
106.60131	1.3
111.04494	2.9
117.03474	7.8
134.03738	83.8
146.86055	1.5
149.06081	11.4
150.85196	1.1
155.03441	2.2
164.52704	1.3
173.04533	26.4
191.05626	31.9
193.05061	100.0
207.19252	1.2
331.15237	1.3
367.10330	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63797	0.8
67.01883	2.4
71.01360	1.0
77.35075	0.8
78.81614	0.8
79.70840	0.9
83.05019	1.0
85.02917	3.6
87.00850	7.8
90.77805	1.0
93.03440	29.7
111.04509	8.1
134.03738	18.5
137.02473	1.1
149.06047	1.6
155.03409	1.9
173.04553	39.4
191.05624	100.0
193.05016	13.8
236.68306	1.1
367.10388	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49508	0.8
55.52119	0.9
66.43739	0.8
93.03440	1.9
98.12067	1.1
101.42313	1.0
108.78445	1.0
117.03442	8.3
118.47304	1.0
134.03740	83.0
149.06073	12.7
155.03532	4.1
173.04568	4.3
191.05656	8.5
193.05066	100.0
202.25372	1.2
229.67137	1.1
314.93219	0.9
340.85126	1.2
367.10416	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35238	0.4
55.96923	0.4
56.56272	0.4
57.03452	0.5
59.01385	3.4
65.84650	0.4
66.04056	0.4
67.01900	3.7
69.03439	0.6
71.01389	3.0
71.90868	0.4
83.05013	0.5
85.02953	2.1
88.61087	0.4
93.03457	20.3
109.02950	0.6
111.04514	5.6
117.03497	0.6
134.03740	21.0
137.02437	4.9
149.06070	2.7
154.78571	0.4
155.03499	4.5
160.97151	0.5
173.04556	100.0
191.05603	4.6
193.05072	20.8
290.91333	0.4
365.23819	0.5
367.10406	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63169	0.4
59.01370	1.9
67.01875	2.4
69.03480	0.5
71.01365	2.0
89.43385	0.5
93.03446	19.1
109.02969	0.5
111.00846	1.0
111.04512	5.3
117.03461	1.2
134.03741	18.1
137.02470	5.2
140.91457	0.5
143.23915	0.5
149.06075	3.2
155.03485	4.8
173.04546	100.0
191.05626	0.6
193.05078	15.5
227.47974	0.5
230.61217	0.5
367.10364	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76020	0.8
65.93188	0.8
69.71513	0.8
74.61922	0.9
80.44927	1.1
91.37820	0.8
93.03517	1.2
93.42638	0.9
111.04520	1.7
117.03435	5.4
134.03745	70.9
149.06038	8.8
155.03493	2.4
173.04578	3.9
188.39893	1.1
191.05634	4.4
193.05077	100.0
200.69286	1.0
205.58798	1.0
213.19788	1.0
298.77542	1.0
309.16745	1.1
367.10391	26.0
378.44031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74996	0.4
59.01375	2.6
68.90751	0.4
71.01363	0.4
75.38958	0.4
78.79984	0.4
92.17194	0.5
93.03445	1.8
96.63541	0.4
108.92879	0.4
111.04510	2.8
117.03455	6.7
134.03743	82.6
137.02473	0.5
149.06090	11.5
152.76912	0.5
155.03514	4.2
173.04539	4.5
175.51399	0.5
191.05646	4.3
193.05074	100.0
214.39972	0.5
237.76361	0.5
275.05344	0.4
367.10388	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76696	1.0
58.34717	1.0
58.37802	1.0
67.01871	1.9
71.01366	2.3
77.28515	1.0
78.40509	1.1
85.02916	1.1
87.00858	1.2
93.03434	22.6
98.99273	1.1
104.29765	1.2
106.55227	1.1
111.04502	7.8
117.03478	1.3
134.03734	21.9
137.02461	4.8
149.06068	1.3
155.03479	6.0
173.04549	100.0
180.48004	1.4
191.05629	63.0
191.07388	2.1
193.05081	15.3
215.90605	1.2
269.17023	1.1
328.98557	1.3
367.10324	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
52.63130	0.5
53.12593	0.5
57.03466	0.5
59.01384	4.4
67.01884	1.0
71.01353	1.7
73.25674	0.5
74.99155	0.5
81.03468	0.7
83.05009	0.6
87.00876	2.3
93.03455	13.5
104.07941	0.5
111.04523	7.8
117.03469	7.7
134.03743	84.8
137.02448	4.7
149.06093	12.1
155.03497	6.6
164.04829	0.7
173.04553	63.2
178.37914	0.7
191.04102	0.8
191.05624	26.2
193.05074	100.0
205.05081	0.7
223.06190	0.6
349.20245	0.8
367.10391	34.6
367.21249	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72957	0.5
51.16821	0.5
71.83962	0.7
95.03602	0.7
95.70015	0.7
111.04509	3.0
117.03474	8.2
120.97020	0.7
134.03741	81.7
139.45848	0.6
149.06081	13.6
155.03525	4.3
173.04565	5.2
178.02682	0.9
184.17506	0.7
191.05649	3.3
193.05072	100.0
200.57483	0.7
242.44646	0.8
301.29813	0.8
306.04681	0.7
367.10376	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1189
Annotation	8-(1,1-DMA)kaempferide
Peak:m/z	Relative Intensity
52.43145	1.4
59.01370	2.0
60.99305	1.9
67.01890	2.1
67.15490	1.4
67.22211	1.4
67.94337	1.4
71.01371	1.8
82.10963	1.9
85.02907	1.5
87.00860	2.2
93.03452	33.0
96.96004	1.7
104.54647	1.8
111.04505	9.5
111.57176	1.5
117.03445	3.6
134.03738	60.5
149.06062	7.3
155.03531	2.2
162.03152	2.1
173.04553	78.0
177.05556	8.2
191.05617	63.1
193.05070	68.4
213.23378	2.1
226.78212	1.7
266.05807	7.3
278.05841	11.4
281.08200	8.3
291.06799	1.7
292.07480	3.0
293.08167	2.3
294.05325	3.4
305.04446	1.9
306.05344	31.1
307.06119	27.3
309.07715	2.7
320.06937	3.0
321.07715	100.0
322.04794	15.4
322.08493	13.8
328.84998	1.8
335.09225	8.1
336.10037	30.3
337.07227	56.8
337.10870	7.5
352.09634	18.0
367.11813	75.7
370.80664	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74618	0.5
61.19638	0.4
66.27113	0.4
79.95729	18.9
80.11543	0.4
80.96518	0.8
87.00874	0.6
91.70541	0.5
92.22478	0.6
93.03431	2.6
96.95971	1.1
99.08163	0.9
107.43298	0.5
111.04484	0.8
115.07632	0.8
125.09708	7.8
134.03741	3.0
169.08757	0.6
171.10252	0.7
173.04575	4.5
179.03835	100.0
187.09760	20.8
191.05632	10.6
193.05045	2.8
211.13390	2.2
218.66339	0.5
229.91158	0.6
267.05386	0.9
329.23297	6.3
352.05676	0.6
367.10059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67234	0.4
58.60859	0.5
59.01390	0.5
71.22769	0.4
79.95731	18.2
79.96175	0.8
80.96531	0.8
87.00855	0.7
93.03429	4.0
96.96008	1.1
99.08149	2.2
111.04496	0.8
111.53393	0.5
115.07622	0.8
125.09711	9.8
134.03706	2.4
146.20645	0.5
151.04286	0.8
155.62674	0.5
173.04591	5.2
179.03838	100.0
187.09767	22.6
191.05623	14.8
193.05049	2.8
204.77351	0.5
211.13510	0.6
229.14444	0.8
281.04526	0.5
304.70932	0.5
309.04074	0.6
329.23291	6.3
352.05911	1.8
367.08206	2.4
367.14450	0.7
367.21402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55538	1.3
51.04839	1.3
55.69464	1.7
57.03456	1.7
59.01382	18.0
63.47667	1.4
64.20554	1.8
71.01380	21.4
73.02944	16.7
77.11584	1.5
85.02950	15.4
88.95390	1.7
89.02427	2.3
95.01357	1.7
99.00883	10.1
101.02441	38.8
113.02457	12.8
134.03694	2.0
143.07132	2.4
161.04546	11.3
173.04633	2.2
191.05544	2.1
193.05095	3.7
207.63457	1.9
235.11891	29.6
367.11429	4.1
367.16107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83805	0.9
59.01381	100.0
71.01383	3.5
72.99726	1.1
73.40761	0.9
74.09798	0.8
89.02398	1.0
90.62794	1.0
101.02444	5.2
104.97846	0.9
105.00632	0.9
108.75520	0.9
113.02441	1.9
134.03746	2.3
161.04602	1.9
193.05074	1.7
205.57343	0.9
307.17587	21.4
367.19763	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.13711	0.7
68.10518	0.8
71.01373	4.3
73.02966	1.5
85.02924	0.8
101.02446	4.4
113.02439	1.1
113.03499	0.9
117.84364	0.7
118.56786	0.9
121.79711	0.8
123.83166	0.9
134.03728	4.0
161.04524	3.3
193.05080	4.0
213.56705	0.9
251.66066	0.9
307.17648	27.5
367.10742	2.0
367.19864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24758	0.6
54.94970	0.6
59.01384	100.0
64.40713	0.6
68.30837	0.7
71.01376	6.6
73.02942	1.0
83.01394	1.1
85.02946	3.1
89.02441	1.5
99.00864	0.9
101.02449	6.5
102.01953	0.6
112.30849	0.7
113.02436	3.7
134.03778	0.8
161.04518	5.7
172.60889	0.6
173.04503	1.0
193.05081	0.8
223.06076	1.2
227.13762	0.8
307.17673	30.5
355.34525	0.8
367.10266	1.3
367.19861	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77134	0.9
59.01383	4.7
71.01390	1.0
93.03441	4.1
100.73231	1.0
107.19770	1.1
111.71719	1.0
134.03755	4.3
155.10722	3.8
157.08759	1.6
160.69647	1.1
173.04552	6.8
183.10274	32.2
183.13892	35.3
191.05646	4.9
193.05116	4.1
216.45122	1.1
277.21707	15.2
295.22821	100.0
307.17557	1.2
367.10034	1.2
367.21353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	gamma-Eudesmol 11-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
59.01373	1.1
80.35451	0.6
87.00871	1.3
93.03471	6.1
101.06098	1.2
111.04537	0.9
118.56370	0.6
124.28143	0.6
134.03775	1.7
141.51410	0.7
155.10732	1.7
173.04611	3.5
173.12259	0.7
178.09976	8.0
191.05635	18.1
193.05087	3.0
221.18990	1.4
237.18639	1.2
246.48582	0.9
247.17058	4.5
263.16544	17.7
265.18112	100.0
275.57086	0.9
281.17590	10.6
292.16910	1.1
299.41187	0.8
308.55490	0.8
321.24329	0.8
331.22748	3.5
349.23889	77.5
367.10172	4.7
367.24936	10.2
367.32816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
73.47919	0.5
78.83094	0.4
93.03444	1.8
99.48726	0.4
124.93205	0.5
125.09708	3.1
134.03737	2.2
136.69792	0.6
141.12836	1.0
149.09732	0.9
150.19713	0.5
167.14397	0.6
173.04581	3.5
176.95970	0.6
185.11819	11.0
191.05661	5.1
193.05055	2.5
197.11816	2.9
236.21249	0.6
249.22267	0.7
275.20233	0.8
293.21265	100.0
332.24423	0.5
367.10391	0.9
367.24973	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82125	0.9
51.01289	1.0
59.01371	1.3
61.81012	0.9
65.84229	1.1
66.65866	1.1
73.61179	1.1
78.58059	1.1
93.03446	2.9
101.05439	1.4
101.06077	2.1
110.78072	1.2
113.09716	20.2
120.87039	1.3
134.03731	5.2
150.61737	1.4
155.10757	5.6
166.02632	1.7
167.10744	2.9
172.14128	1.1
173.04584	6.9
178.10040	5.1
179.10814	5.4
191.05609	9.7
192.23619	1.3
193.05122	5.1
195.13902	2.4
196.13689	1.2
221.19061	1.3
247.16985	5.6
263.16592	18.5
265.18097	100.0
273.83304	1.3
280.36996	1.5
281.17676	8.2
285.11453	5.8
293.21243	99.7
331.22742	2.3
349.23843	85.9
367.24893	19.8
373.38843	1.4
379.61465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Betaenone B
Peak:m/z	Relative Intensity
57.03460	1.0
59.01389	5.0
59.01636	0.6
65.24484	0.5
66.93929	0.5
67.01897	0.6
72.99296	0.5
83.05027	0.5
87.18396	0.6
91.53468	0.5
93.03442	7.0
105.20499	0.5
111.04530	1.0
113.09718	17.3
134.03735	8.2
137.02460	0.5
139.11295	1.1
167.10751	2.7
173.04544	15.6
177.12857	0.7
179.10754	2.5
184.47308	0.5
185.11908	0.8
190.96664	0.6
191.05588	15.6
193.05086	7.2
195.13910	3.2
249.22212	3.0
293.21240	100.0
323.76865	0.7
366.91943	0.6
367.10318	4.4
367.16992	1.3
367.21274	2.8
367.25543	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
80.35451	0.6
87.00871	1.3
93.03471	6.1
101.06098	1.2
111.04537	0.9
118.56370	0.6
124.28143	0.6
134.03775	1.7
141.51410	0.7
155.10732	1.7
173.04611	3.5
173.12259	0.7
178.09976	8.0
191.05635	18.1
193.05087	3.0
221.18990	1.4
237.18639	1.2
246.48582	0.9
247.17058	4.5
263.16544	17.7
265.18112	100.0
275.57086	0.9
281.17590	10.6
292.16910	1.1
299.41187	0.8
308.55490	0.8
321.24329	0.8
331.22748	3.5
349.23889	77.5
367.10172	4.7
367.24936	10.2
367.32816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24684	0.3
62.28795	0.3
69.23716	0.3
72.70730	0.3
93.03453	1.9
105.01922	2.3
109.55493	0.4
111.30432	0.3
117.20150	0.4
134.03751	2.3
168.95804	0.4
173.04549	3.5
191.05629	5.0
193.05061	2.0
279.23309	100.0
302.61789	0.3
367.10428	0.6
367.24902	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Betaenone B
Peak:m/z	Relative Intensity
51.70749	0.6
57.02261	0.6
58.44845	0.6
59.01380	11.2
61.72446	0.6
71.01386	1.7
89.02435	4.5
91.03999	13.5
92.22525	0.8
93.03424	0.7
104.39451	0.7
121.10214	3.0
134.03825	1.2
154.30780	0.8
171.10275	7.1
173.04628	2.5
183.13939	1.0
191.05688	1.5
193.05116	0.9
195.13957	8.7
196.14719	1.4
223.13475	7.7
231.21233	1.0
275.20175	20.9
293.21262	100.0
367.10724	0.8
367.24908	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29020	1.9
57.50747	1.7
59.01387	11.4
64.54413	2.2
66.78902	1.8
88.98743	2.1
89.20370	2.0
93.03415	2.5
134.03760	4.9
173.04552	18.0
179.86000	2.1
182.60338	2.6
191.05669	5.0
193.05093	4.7
195.13983	17.4
277.21741	80.2
295.22833	100.0
297.15237	2.3
307.10489	2.5
367.24808	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06820	0.9
64.33042	1.2
72.99300	1.6
74.31316	1.0
75.00854	2.2
87.00862	49.8
93.03423	4.5
100.51361	1.2
105.01927	92.3
134.03709	4.7
139.87395	1.2
171.46492	1.0
173.04507	4.9
191.05579	7.3
193.05077	1.4
270.91409	1.2
279.23297	100.0
367.10214	2.0
367.24854	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
62.09695	1.3
63.15358	1.5
84.58957	1.9
87.00853	6.3
91.96256	1.5
93.03454	17.1
97.07760	1.3
111.04528	3.0
113.74104	1.4
124.05298	3.4
134.03735	10.7
139.11308	6.2
151.11282	42.7
153.12874	22.3
165.09181	13.7
167.09418	2.5
167.10783	73.2
169.12340	8.4
173.04549	17.1
178.10019	3.0
191.04134	1.7
191.05626	53.9
193.05038	10.0
197.11865	22.2
199.13417	100.0
215.12901	16.1
251.16493	3.5
292.16861	2.9
293.21240	2.0
305.21292	9.5
321.24445	7.3
331.22833	10.1
349.23907	73.5
367.10226	10.8
367.24924	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94872	1.0
54.64101	0.9
58.02975	9.5
59.53368	0.9
61.99444	0.9
70.02978	17.1
71.02503	2.1
90.73312	1.0
93.03468	5.3
96.00915	20.0
98.87438	1.1
105.16438	1.1
113.03569	13.9
114.01970	33.1
120.12196	1.1
131.04619	17.6
134.03700	2.1
173.04573	5.5
191.05618	17.8
193.05090	1.4
252.23384	28.5
257.60129	1.2
270.52463	1.2
278.24991	5.2
349.24969	35.4
367.10413	2.1
367.26059	100.0
374.70993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	7.0
59.01387	6.8
67.01906	0.9
71.01393	1.2
73.46025	1.1
93.03455	8.4
96.87025	0.9
103.20641	0.9
111.04504	2.3
125.09676	1.6
130.72266	1.0
134.03755	12.1
147.07478	1.0
173.04552	29.1
177.53152	0.9
179.03854	1.6
191.05618	12.6
193.05066	13.7
247.16974	1.2
252.23309	1.5
263.23798	1.9
264.23306	2.2
273.37469	1.0
305.21249	1.2
305.22763	1.1
305.25977	14.4
306.24484	10.7
350.23367	7.5
367.10345	5.6
367.21582	6.8
367.26013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79595	0.3
58.02975	7.8
59.01363	0.8
67.01875	0.5
70.02971	0.7
76.27644	0.4
79.45994	0.4
85.02952	0.7
87.00864	2.0
93.03442	8.3
96.96009	0.8
97.06535	0.5
100.96951	0.5
102.29668	0.4
109.15352	0.4
110.86570	0.4
111.04507	1.8
113.08618	0.4
125.09704	0.7
134.03741	6.9
137.02432	0.5
149.06068	2.1
173.04550	16.2
191.03992	0.9
191.05626	15.9
193.05070	7.9
234.22157	0.6
252.23352	3.6
256.99097	0.4
264.23264	3.5
288.23578	0.7
289.22034	1.4
305.25983	14.8
306.24396	8.9
323.26981	0.6
350.23285	2.8
367.10657	5.8
367.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2855
Annotation	Secosubamolide A
Peak:m/z	Relative Intensity
54.44377	1.9
56.43710	1.7
59.30544	2.0
61.24764	1.8
62.30899	1.7
63.88815	1.9
71.01370	3.5
84.02168	2.4
84.59333	2.2
93.03457	2.7
111.13630	2.0
160.15463	2.2
166.33760	2.2
191.05650	9.6
196.34558	2.0
247.20030	2.3
267.26935	59.8
295.30096	4.5
323.29498	11.9
367.28589	100.0
381.48871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52711	0.6
57.03463	1.2
57.69028	0.5
75.84152	0.6
82.85126	0.6
85.02946	8.2
94.74889	0.6
103.04012	51.0
106.97823	0.6
223.21710	0.7
281.24890	100.0
367.28564	14.5
367.32764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77795	5.2
59.67371	6.1
69.03466	11.0
71.05034	11.5
81.25478	6.1
83.05035	53.4
93.03464	15.4
99.71037	7.2
134.03757	14.4
162.34543	6.3
173.04562	31.9
176.44601	6.9
191.05620	34.4
193.05003	11.6
239.23833	35.4
261.26044	8.1
275.27423	30.8
279.26953	16.4
291.27063	14.6
309.28107	100.0
323.29660	50.7
353.26779	8.4
355.83365	8.1
367.28455	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89376	0.7
59.01365	0.9
70.60661	0.6
82.89328	0.7
93.03456	3.1
99.92542	1.7
115.92032	1.0
116.92851	4.6
132.51257	0.8
134.03714	1.6
161.91054	0.7
173.04520	4.2
179.66542	0.9
191.05617	11.3
193.05127	1.2
225.18588	4.6
241.18103	4.6
339.23236	3.6
349.31290	14.3
365.30585	1.2
367.10754	1.4
367.15814	4.8
367.32205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78668	0.5
55.15551	0.6
93.03452	0.9
98.82780	0.6
115.94495	0.7
131.76663	0.6
150.20776	0.6
173.04555	1.0
176.44853	0.6
189.65993	0.7
191.05609	6.2
193.05121	1.1
195.70735	0.7
212.68390	0.7
319.29938	1.6
321.31665	77.8
349.31201	0.9
367.10461	0.9
367.32208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.4
61.23855	0.6
67.01878	0.9
70.32720	0.8
85.81351	0.7
87.00866	1.3
93.03432	1.9
94.03782	1.3
115.15597	0.7
123.00829	0.9
132.04459	1.2
134.03694	1.3
135.04070	1.4
136.01643	0.8
138.03178	4.0
153.05547	1.4
159.03188	1.4
160.04039	11.7
173.04433	1.1
174.04865	1.7
188.03543	100.0
191.05637	10.5
192.06001	8.8
193.05193	0.8
273.26599	0.9
292.06134	1.7
310.06973	1.0
330.23602	5.0
340.11887	1.6
368.07614	38.7
382.68576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75563	1.2
56.41687	1.3
79.46618	1.3
93.03482	1.6
95.02654	1.4
111.00933	1.9
139.00333	1.9
152.01149	2.5
154.02655	2.4
167.03404	2.4
173.04524	3.2
174.04890	3.0
191.05571	3.5
192.06003	1.6
199.06406	2.0
227.05873	16.1
236.07111	2.0
250.05113	1.7
252.06602	6.7
264.06873	2.1
268.06201	5.6
269.06955	1.6
278.04578	6.0
279.05377	9.8
280.06186	16.2
296.05777	3.3
297.06451	8.9
306.04269	3.2
307.04861	15.3
308.05722	22.0
324.08667	2.0
325.05960	3.4
340.08301	79.2
340.11740	3.0
368.07779	100.0
368.11234	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
75.34932	0.7
75.85558	0.8
140.61014	0.8
151.57976	0.9
194.05446	0.8
206.98398	0.8
266.04504	7.5
280.06030	5.7
294.04129	100.0
306.22861	0.8
308.05695	1.9
309.06470	18.0
324.08804	93.9
328.60120	0.9
368.07608	1.7
368.21500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69381	2.2
59.01373	4.8
62.19626	2.3
62.46312	2.2
71.01400	2.3
76.38877	2.7
76.60002	2.9
93.03447	4.0
97.16465	3.0
108.02213	3.2
108.38402	3.4
110.24482	2.6
116.56801	2.7
119.03802	2.6
134.03835	2.8
135.04042	3.7
161.01215	13.5
173.04605	5.2
174.04872	3.9
176.03572	12.7
176.87178	2.7
177.00713	4.4
177.99045	12.8
178.99849	6.0
190.01535	3.0
191.05632	17.1
192.03093	4.0
192.06049	5.4
193.01437	6.7
195.03242	3.0
206.08572	3.1
232.15335	2.9
266.05804	15.8
280.06180	25.9
281.06827	4.1
287.89203	2.9
294.04208	3.0
294.07617	3.4
307.05081	3.6
308.05710	25.0
309.06543	32.9
315.24414	2.8
324.08746	13.6
325.06949	4.7
335.04489	5.9
340.08234	3.2
340.11728	3.9
350.07010	4.0
353.05383	29.8
361.57983	2.9
368.07700	100.0
388.77853	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42767	1.0
56.64216	1.0
64.08213	1.1
80.36419	1.1
103.81027	0.9
111.08302	1.0
134.00040	1.0
134.03856	0.9
136.01660	29.5
139.00348	1.3
151.00349	8.5
158.64363	1.1
161.01163	5.6
161.99629	11.5
163.00371	10.1
164.01155	51.0
173.04541	2.2
177.01944	4.5
178.99870	63.6
188.03552	2.1
190.05119	15.7
191.05560	1.7
211.29333	1.2
224.57707	1.3
233.37630	1.1
233.81851	1.2
246.73169	1.3
300.59579	1.1
308.05743	1.8
353.05438	24.2
368.07770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
64.08068	1.3
108.02172	1.7
114.05521	1.4
130.36920	1.3
133.01764	2.8
134.03711	2.5
161.01180	70.6
173.04546	5.3
174.04898	2.2
176.03528	86.8
176.05066	2.8
190.05128	2.5
191.05518	1.4
193.05020	2.0
194.05444	2.5
204.02933	1.7
218.04539	1.4
252.06740	8.1
262.05084	2.7
264.06580	2.3
278.04840	1.5
279.05469	2.4
280.06161	23.7
281.07129	2.2
306.04114	2.6
307.04865	2.8
308.05701	40.7
309.06470	33.9
324.05176	3.0
324.08792	19.2
324.76834	1.7
325.06018	6.5
335.04181	2.2
353.05475	32.1
368.07758	100.0
368.21417	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28108	1.2
56.58362	1.0
58.60931	1.1
75.87505	1.2
78.10117	1.0
116.05405	1.2
134.24843	1.3
137.02426	5.2
152.04744	7.2
162.01981	1.3
177.00638	5.8
178.01392	1.9
201.53081	1.2
208.07884	1.3
222.99744	1.3
236.07089	2.1
238.08803	4.7
249.70346	1.2
263.05521	1.5
264.06699	5.9
266.08252	4.9
279.05307	1.6
281.07065	2.9
282.07761	4.9
290.04596	1.8
291.05368	1.9
292.06174	17.5
294.07730	1.7
296.06885	2.4
307.04782	9.4
308.05707	31.7
309.06485	7.4
310.07245	29.8
324.08749	6.8
325.09583	20.3
336.05164	34.2
337.05957	56.4
338.06705	16.0
340.08502	1.3
340.11932	37.2
368.07666	100.0
368.11548	19.0
393.70813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92818	1.2
66.97255	1.3
81.87530	1.5
104.47466	1.8
123.04471	2.9
136.01666	2.3
144.04466	1.6
158.03743	1.7
167.01561	1.5
173.04503	3.7
174.04941	5.9
178.99887	1.9
191.05614	2.8
193.04991	2.1
194.05309	2.2
261.75165	1.6
262.53305	1.6
264.06638	3.4
278.04495	3.6
279.05365	30.6
280.06284	16.7
281.06912	3.6
292.06058	2.1
294.04214	2.8
294.07614	19.1
305.38062	1.8
308.05673	44.8
309.06488	35.5
322.06882	2.0
324.08777	26.9
368.07751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02112	0.4
61.91390	0.4
84.18657	0.5
93.03470	0.5
125.41415	0.5
134.03731	0.8
135.04060	0.5
147.03326	0.6
171.01149	0.5
173.04495	1.9
174.04793	0.6
175.02745	100.0
191.05653	2.0
192.05965	0.9
194.05426	0.9
209.42821	0.4
212.07199	0.8
240.06708	0.8
246.33366	0.5
266.04660	0.8
293.03375	0.9
294.04199	6.3
308.05658	2.2
324.08749	2.4
340.12067	0.7
368.07748	48.0
368.21213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11907	0.8
59.01386	9.9
71.01374	1.9
87.08128	1.0
92.05031	1.3
101.02427	1.8
116.05060	6.4
117.18427	0.8
118.03001	1.8
128.05090	1.1
130.06607	10.1
132.04559	1.6
132.08177	1.8
134.06111	7.0
142.06621	5.7
144.04547	100.0
146.02477	36.6
146.06122	2.3
148.07703	1.7
158.06104	32.0
160.04030	5.5
162.05621	10.4
171.21077	1.2
174.05595	1.5
176.07196	23.4
186.05635	11.5
188.03473	1.7
204.06677	21.7
206.00945	8.3
230.04562	4.2
306.09744	1.8
308.07755	7.2
350.08899	13.2
361.93469	1.1
368.06250	3.1
368.09940	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71424	0.6
54.70639	0.7
59.01383	11.6
71.01383	2.0
76.75855	0.8
81.77252	0.7
89.02427	1.5
91.18793	0.7
92.05005	1.2
92.23125	0.8
101.02422	1.6
104.29031	0.7
116.05021	6.5
118.02988	3.2
121.16399	0.9
128.05052	1.1
128.36958	0.8
129.96605	0.8
130.06581	10.1
132.04474	1.3
132.08113	1.4
134.06129	4.7
142.06656	3.6
142.93687	0.9
144.04543	100.0
146.02475	51.3
146.06104	1.8
148.07687	1.1
158.06105	33.8
158.07394	1.5
160.04045	5.0
161.04689	1.1
162.05598	12.9
174.05630	4.0
176.07172	18.9
186.05614	11.0
188.03499	3.4
204.06674	17.8
206.04453	1.1
230.04564	4.1
306.09827	1.3
308.07745	6.4
350.08923	9.2
368.09894	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50793	1.1
59.01383	8.7
71.01382	2.1
82.17806	0.9
86.70776	1.0
92.05065	1.3
95.66489	1.1
109.20136	1.1
116.05042	5.2
118.02998	2.2
118.66618	1.3
130.06613	7.2
130.46098	1.0
134.06139	1.6
142.06618	4.1
144.04541	100.0
146.02480	31.0
146.06108	1.5
158.06107	32.4
160.04053	2.3
162.05629	10.9
174.05666	1.9
176.07155	16.3
186.05603	11.8
188.03517	1.9
195.14799	1.1
204.06660	22.6
230.04523	5.3
263.67438	1.2
306.09933	4.7
308.07785	4.8
324.11172	1.1
350.08810	14.1
368.09927	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
71.01378	2.7
85.02936	0.6
92.05042	1.2
101.02419	2.4
116.05048	5.7
116.13277	0.4
118.02980	2.3
120.04546	0.8
127.20824	0.4
128.05077	0.7
130.06613	8.3
131.03706	0.6
132.04544	2.7
132.08147	2.4
134.06123	4.0
142.06609	3.1
144.04541	100.0
146.02470	34.4
146.06134	2.9
148.07697	0.9
157.05304	0.7
158.06097	29.2
160.04063	4.2
162.05600	10.6
174.05609	3.7
176.07158	20.2
176.08603	0.9
186.05594	12.4
188.03514	2.0
204.06662	20.0
204.08563	1.0
230.04575	5.6
306.09869	4.2
308.07715	4.2
350.08868	15.7
368.09888	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53351	0.8
59.01384	8.4
66.14250	1.2
71.01379	1.8
89.02432	1.2
91.14735	0.8
101.02413	1.3
105.03117	1.1
116.05042	5.9
118.02937	1.8
119.03500	1.1
130.06648	9.8
132.04535	1.2
134.06087	5.5
142.06621	5.1
144.04541	100.0
146.02466	42.0
146.06116	2.0
148.07565	1.2
158.06099	32.9
160.04021	5.5
162.05579	10.0
174.05589	4.4
176.07159	20.5
186.05624	9.9
188.03574	1.1
204.06699	21.1
230.04570	4.7
306.09741	2.2
308.07825	5.1
350.08798	12.2
368.09900	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43567	1.0
93.03432	1.3
101.00796	1.0
111.04534	1.6
117.03452	2.7
118.03766	2.4
134.02724	2.3
134.03740	69.9
135.03047	2.1
135.04077	60.8
137.02423	1.2
149.06070	9.0
150.06396	8.8
155.03491	1.8
156.03793	1.7
168.66151	1.1
172.91113	1.3
173.04553	4.7
174.04877	2.6
191.05592	2.6
192.05885	1.6
193.05063	70.2
194.05408	100.0
368.10715	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1144
Annotation	Fumarofine
Peak:m/z	Relative Intensity
50.64005	1.1
52.21794	1.1
88.50401	1.2
108.02185	2.0
108.91796	1.3
109.02946	1.5
118.02378	1.3
122.03733	2.8
123.04512	15.2
136.01675	8.4
137.02451	9.1
151.03995	15.3
160.03973	5.0
173.04558	1.5
174.05630	5.9
191.05699	1.2
192.05943	1.5
223.30930	1.5
264.06708	3.1
266.08170	1.7
279.05511	1.8
280.06168	27.6
282.07703	8.0
292.06284	5.5
294.04764	1.4
294.07672	9.2
295.08426	11.6
295.46173	1.5
296.09326	6.7
297.10107	6.5
306.07672	4.4
307.08557	2.6
308.09369	1.6
310.07214	7.7
319.46768	1.6
324.08743	20.2
325.09534	18.7
340.11935	100.0
368.07034	2.3
368.11432	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1141
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
58.92586	1.0
60.71926	1.0
90.98417	1.2
121.16182	1.2
137.02438	8.6
152.04790	16.7
166.09833	1.3
167.07120	1.9
236.07074	1.6
238.08754	7.1
253.07283	1.3
254.08139	2.7
262.05136	4.7
264.06656	7.3
266.08273	5.0
281.04355	1.8
281.07056	7.2
282.07822	8.8
291.05423	8.2
292.06213	31.7
294.07718	2.2
296.09784	1.8
309.06546	2.2
310.07266	54.6
311.09067	1.5
324.08771	17.7
325.09567	44.9
340.11917	100.0
352.08148	1.5
353.09003	2.7
368.11441	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12419	1.3
55.94134	1.5
59.01385	40.4
62.57335	1.7
62.69175	1.3
93.03440	1.8
102.49379	1.6
106.82003	1.6
117.03521	1.8
122.84503	1.9
129.83733	1.7
137.02422	13.1
152.04787	26.3
167.07170	2.9
173.04568	4.1
174.04933	3.2
179.38686	1.8
191.05701	3.0
208.07806	2.0
238.08772	7.3
253.07423	2.5
254.08315	2.6
255.61163	2.2
262.05154	8.0
264.06610	7.3
266.08154	2.6
281.04489	14.8
281.07101	8.2
282.07785	14.7
291.05447	9.2
292.06219	44.1
296.06836	6.7
309.06320	4.1
310.07245	63.4
311.09396	7.6
324.08859	21.0
325.09567	48.7
340.11932	100.0
353.09094	3.8
353.81268	1.9
368.07809	6.1
368.11490	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33599	1.7
58.02977	2.3
59.01402	8.2
61.98520	3.7
61.98835	100.0
64.70140	2.2
75.30736	2.0
93.03439	9.9
94.03784	2.8
113.10183	2.0
120.69257	2.4
132.10780	2.4
135.04030	3.0
142.17102	2.0
161.38994	2.3
173.04526	4.7
174.04959	2.8
191.05638	26.6
192.05991	20.1
278.24969	4.2
286.24130	2.6
296.26062	4.6
340.11652	3.3
368.03549	2.4
368.10938	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51292	0.5
73.69997	0.4
73.80485	0.5
79.95736	12.8
80.96532	0.5
95.95216	5.5
96.96008	28.4
105.10524	0.4
109.96808	0.8
117.49358	0.5
122.97556	0.9
124.99162	0.8
134.03806	0.5
135.62373	0.5
141.95804	1.9
152.00272	3.1
154.98935	10.4
155.99721	14.6
167.99724	1.1
182.01344	2.2
199.01608	5.4
200.02362	100.0
296.23154	0.6
323.17953	0.8
324.18604	6.9
345.03604	0.5
368.21240	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.33543	1.1
68.27447	1.0
83.77904	1.1
93.03425	2.6
94.03796	2.0
134.03725	1.9
135.04056	2.6
143.63516	1.5
165.12820	7.2
167.10759	1.4
167.23805	1.3
173.04543	8.1
174.04875	4.4
183.13908	4.9
191.05656	7.5
192.05952	2.1
193.04997	2.4
194.05377	3.0
210.94765	1.2
217.41823	1.2
226.14503	2.5
290.21283	23.5
291.19659	12.9
294.21536	2.8
308.22333	95.9
310.07050	2.1
340.11923	4.7
356.61166	1.3
368.11084	5.3
368.24396	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90642	0.5
59.55109	0.5
61.60551	0.5
62.08429	0.5
64.85587	0.5
75.64751	0.6
92.88521	0.6
107.03770	1.0
108.04549	100.0
112.43474	0.6
126.09846	0.6
192.05933	0.6
360.16412	0.6
368.25958	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88733	0.5
58.02978	14.6
70.32555	0.5
72.04530	0.5
86.06120	0.9
87.22323	0.6
93.03439	0.6
100.07696	2.3
101.33323	0.5
101.34141	0.6
102.02819	0.6
106.04237	5.0
107.05054	0.9
109.85327	0.6
119.04995	3.6
129.46645	0.6
162.05678	0.8
162.85074	0.6
178.08731	3.5
205.19507	0.8
246.18570	0.9
278.22333	0.7
318.51169	0.6
368.25974	100.0
368.67920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2806
Annotation	N-Oleoyl-L-Serine
Peak:m/z	Relative Intensity
51.74061	2.5
54.18404	2.3
56.05148	2.7
66.70109	2.6
74.02470	67.2
92.22838	6.8
97.79427	2.7
100.22691	3.0
104.03535	7.1
118.10371	3.2
173.04604	4.5
192.05945	4.4
209.06013	3.1
240.40363	3.8
263.24054	3.0
300.07800	3.2
306.28122	22.1
320.25943	21.2
338.27017	18.2
368.28110	100.0
368.32007	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3172
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.08221	0.5
56.29701	0.4
56.83154	0.5
63.20741	0.5
63.68235	0.5
64.35168	0.5
68.28132	0.5
130.08731	100.0
140.10866	0.6
151.35240	0.5
167.17735	0.5
192.01939	0.6
217.24767	0.5
229.69928	0.7
239.23967	1.3
312.67563	0.7
324.32736	9.8
368.31744	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.14825	0.7
59.01377	4.4
62.90464	0.9
71.01362	1.7
80.42703	0.8
80.81072	0.8
89.02445	2.2
101.02440	4.1
123.04478	1.6
132.95334	1.0
143.29483	0.9
145.02974	3.9
145.49644	1.1
147.04483	2.1
160.43991	0.8
161.02394	4.7
163.03992	11.8
169.05241	0.9
177.01959	1.2
179.03477	7.1
183.77834	0.9
189.01926	15.9
190.02707	8.1
191.03505	41.7
205.01431	5.1
205.12311	1.2
206.02219	7.6
207.03000	28.5
228.73038	0.8
275.73743	0.9
369.08279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28003	3.1
57.03445	7.0
57.58573	3.7
59.01379	6.5
71.01389	4.0
73.02925	4.7
77.03950	3.7
85.02947	82.0
100.91569	3.6
101.22389	3.5
110.02619	4.4
111.00861	9.4
119.14911	4.1
123.04530	14.9
133.02962	85.2
135.04521	5.7
147.03008	9.9
148.05336	17.5
151.04007	90.1
155.03459	4.3
158.03651	7.3
161.02364	4.9
162.03197	6.9
163.04004	7.2
163.07628	7.7
172.05272	6.7
173.04527	17.1
175.03949	33.4
176.04759	45.8
177.01942	6.9
177.05536	36.5
190.06383	31.8
191.02025	36.6
191.05614	94.4
191.07178	88.2
192.04317	7.9
195.02977	35.9
205.08765	9.7
207.04839	7.2
207.06598	56.9
235.06111	97.3
279.05054	7.4
369.08249	100.0
369.12460	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
52.22586	0.7
55.45033	0.6
56.91639	0.6
71.01392	0.9
85.02917	1.3
92.22432	1.3
93.03450	3.9
102.43399	0.7
111.04475	0.9
113.02448	0.6
117.01893	1.6
124.74909	0.7
130.05035	0.7
133.02943	3.7
135.04482	0.9
151.04042	1.1
163.07573	0.9
173.04539	11.8
177.02078	0.9
190.99826	4.3
191.05635	6.7
192.00659	92.4
195.02939	1.1
206.02211	3.5
207.03000	100.0
207.06281	2.7
266.25882	0.8
267.24606	0.8
329.94690	0.9
342.61823	0.7
369.08261	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
50.02704	0.6
50.32196	0.6
83.19386	0.7
93.41102	0.8
120.62128	0.8
127.91599	0.7
163.00360	1.6
187.63788	0.7
190.99860	32.4
192.00653	69.2
206.00238	1.6
206.02191	34.0
207.02998	100.0
354.06116	1.7
369.08292	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.2
67.01881	5.8
71.01384	3.4
82.33847	1.4
85.02924	2.2
85.09528	1.4
87.00859	2.3
93.03448	58.1
94.03792	14.9
95.03910	2.1
111.04524	11.3
112.04888	2.7
113.05006	1.5
117.03432	2.2
119.14470	1.5
121.81678	1.6
134.03738	29.1
135.04054	12.6
136.04239	9.5
137.02446	6.6
139.02934	1.5
155.03441	5.4
156.03819	2.0
157.04010	2.3
169.43813	1.4
173.04546	100.0
174.04889	63.3
175.05008	99.9
191.05634	33.4
192.05948	22.9
193.06064	29.4
194.05424	10.2
195.05557	18.3
239.48772	1.3
249.96211	1.4
255.26945	1.3
281.08490	2.5
315.34955	1.4
369.10953	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1089
Annotation	Antibiotic DOB 41
Peak:m/z	Relative Intensity
57.19474	1.0
57.74217	1.0
61.46576	1.2
68.97517	1.1
71.01367	1.4
74.99777	1.1
85.02944	3.0
93.03468	2.2
97.94971	1.1
106.08042	1.2
111.04520	2.2
117.03451	8.0
118.03780	1.7
125.15527	1.2
134.03740	100.0
135.04082	45.1
135.37173	1.5
136.04266	32.8
149.06113	17.6
150.06421	6.2
151.06677	2.7
155.03523	5.2
157.03992	1.8
173.04585	5.1
174.04846	1.3
175.05028	2.3
191.05687	4.1
192.05836	1.8
193.05054	90.5
194.05423	55.4
195.05588	73.1
369.10962	54.4
392.94882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40434	1.1
53.32246	1.4
59.01393	2.0
60.35064	1.2
67.01901	1.7
67.60867	1.4
68.02215	1.2
71.01385	5.4
89.00108	1.2
93.03452	32.3
94.03762	10.7
103.31307	1.6
111.04504	8.1
112.04863	1.9
113.04956	1.6
117.03458	2.5
134.03732	27.4
135.04065	15.1
136.04247	7.4
137.02438	6.6
138.02766	2.3
139.02931	1.6
141.21304	1.3
149.06161	1.6
155.03497	3.5
156.03860	2.0
157.03914	1.4
173.04546	100.0
174.04890	64.3
175.03471	2.9
175.05011	86.6
193.05043	16.0
194.05449	11.1
195.05542	10.8
369.10947	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1195
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
59.01388	2.1
71.01369	1.3
73.02953	1.7
75.00868	0.8
83.15681	0.9
101.02451	3.6
105.15598	0.9
113.02403	1.4
117.03464	7.0
119.04998	4.4
123.04527	17.6
134.03773	6.6
134.04617	0.8
136.04218	1.5
145.02959	100.0
149.06067	1.0
153.05576	33.4
158.12141	1.1
161.04539	1.0
163.04051	7.4
173.04558	1.6
193.05046	6.4
194.05402	1.8
195.05626	3.7
208.68495	0.9
273.99139	1.0
369.11929	57.6
389.33896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1743
Annotation	epiandrosterone sulfate
Peak:m/z	Relative Intensity
64.73764	1.1
67.27065	1.2
68.56143	1.3
69.37729	1.2
78.29164	1.2
84.10804	1.1
84.93884	3.3
99.92587	46.6
100.93377	13.1
102.92218	1.3
107.80965	1.5
115.92081	20.6
116.92857	79.4
172.37108	1.4
173.26527	1.4
239.23666	2.1
267.26990	2.2
369.17404	100.0
369.30225	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2073
Annotation	Phomoarcherin C
Peak:m/z	Relative Intensity
52.03761	0.7
63.78976	0.8
72.37822	0.8
73.31867	0.9
75.83353	0.8
78.95903	8.6
82.03780	0.9
90.10693	0.8
92.23096	1.1
96.96954	2.0
118.83311	0.9
121.01680	0.9
149.09726	10.9
149.81860	1.0
163.11282	30.8
179.10757	16.5
182.05284	1.0
193.06935	1.8
193.08702	50.6
205.08719	28.9
205.10373	1.0
227.16496	1.5
269.69864	1.0
295.22711	1.2
315.19650	0.9
369.20779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68410	0.8
52.98571	0.5
131.98627	0.7
132.14317	0.7
190.09943	0.7
201.09270	8.4
203.10812	3.1
227.10860	1.2
231.14043	0.8
241.12390	5.6
255.13834	2.3
256.14706	100.0
310.19330	3.2
325.21753	55.5
369.20651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15489	1.5
56.01908	1.8
105.03764	1.8
113.03543	2.0
114.01941	3.7
115.92052	3.5
131.04652	2.1
143.41847	2.0
159.04527	9.2
164.08441	3.1
172.05414	2.2
173.06091	4.9
177.09232	10.1
179.10786	11.3
186.06895	23.2
187.07574	2.6
188.08405	17.5
199.07733	3.6
201.09262	21.6
213.09193	9.7
241.12260	2.4
254.24944	4.6
256.14700	76.1
279.23297	3.7
325.21747	100.0
351.19824	21.9
351.26581	2.9
354.18274	10.7
369.20621	42.7
369.27286	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
63.49878	0.5
75.40702	0.5
78.06124	0.5
92.22485	0.6
157.15935	0.5
226.49330	0.5
251.23907	1.1
265.30045	0.5
266.83505	0.6
279.23386	0.9
295.22885	0.8
297.24380	100.0
325.23959	2.1
369.22934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
64.10661	0.6
71.76789	0.7
86.05462	0.7
127.11272	1.0
131.88112	0.7
149.35431	0.8
150.27898	0.7
155.10771	9.6
164.90286	0.8
171.10275	8.2
279.23334	19.9
295.22562	1.2
297.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68414	0.6
65.12912	0.5
68.39478	0.7
70.02995	1.1
71.01376	66.1
80.51515	0.6
81.54790	0.6
99.30556	0.6
107.24156	0.7
114.02003	1.0
115.00359	15.0
123.43436	0.6
253.21753	100.0
254.24911	1.6
261.74704	0.6
279.23227	0.9
351.26398	1.0
369.22763	3.4
369.27539	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17201	0.8
59.01386	1.0
61.35317	0.7
61.82339	0.9
65.42711	0.8
75.00861	1.5
87.00866	42.3
105.01926	83.7
108.04549	2.0
166.37910	0.8
228.66048	1.1
266.27539	0.9
281.24866	100.0
305.20358	1.0
369.26495	29.1
369.30734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92980	0.3
78.13677	0.4
98.41937	0.4
105.01921	2.5
190.74757	0.4
281.24878	100.0
307.30161	0.9
310.49008	0.4
369.21414	0.9
369.26416	6.6
369.30423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24408	0.3
54.61101	0.3
60.40874	0.3
66.09614	0.4
77.05695	0.3
86.70924	0.3
97.97718	0.3
105.01927	2.1
142.12299	0.4
142.22215	0.4
158.58978	0.4
183.68881	0.4
220.50648	0.4
275.77527	0.4
281.24890	100.0
297.28311	0.5
369.26221	6.9
369.29413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37160	0.4
54.25585	0.4
57.03439	0.4
57.28263	0.4
59.01374	3.7
70.08613	0.4
79.95743	0.9
89.02447	1.0
91.04017	6.3
92.22514	0.9
93.49331	0.5
100.50321	0.5
113.09692	1.8
116.92820	0.7
119.90962	0.4
134.13118	0.5
179.14502	0.6
195.13911	23.5
277.18591	0.7
277.21719	22.3
295.22803	100.0
313.88977	0.4
359.58594	0.4
369.13773	1.8
369.21350	1.0
369.26556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44592	1.2
57.05617	1.3
57.37982	1.1
57.61706	1.2
59.01366	1.6
59.87978	1.3
67.47160	1.4
75.00854	2.9
81.26926	1.3
84.80208	1.7
87.00859	44.2
91.80943	1.2
105.01926	83.8
135.71025	1.7
163.02444	1.5
167.70992	1.3
229.62607	1.6
237.24036	1.6
253.21783	2.8
281.24872	100.0
369.26422	38.3
369.30173	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57364	0.7
59.01388	3.9
62.31419	0.9
68.69778	0.8
79.95739	1.9
85.06534	0.9
89.02427	1.4
91.03981	8.3
92.23074	1.0
93.24744	0.7
94.86499	0.7
98.63466	0.9
113.09716	1.1
171.10242	8.2
179.09825	0.9
195.13904	20.0
251.23958	1.0
277.18127	12.7
277.21732	28.6
291.22339	0.8
295.19241	9.1
295.22769	100.0
369.22681	7.9
369.26831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71086	0.8
56.07849	0.7
59.01378	1.7
62.20078	0.7
67.27328	0.8
74.16832	0.7
78.30511	0.8
79.95735	4.9
80.77412	0.8
83.47450	0.9
89.02393	1.1
91.04007	4.0
93.97303	1.5
125.09679	1.5
126.13972	0.8
137.72374	0.8
141.12862	1.0
171.10278	34.6
192.02748	0.8
262.35413	0.9
277.18640	1.7
277.21729	52.5
295.19589	3.6
295.22800	100.0
369.21176	7.9
369.26492	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84780	0.3
52.91170	0.3
66.37234	0.4
69.17897	0.4
69.65426	0.4
72.90177	0.4
85.67382	0.4
102.39191	0.4
120.23434	0.4
149.92432	0.6
237.69995	0.5
243.61977	0.5
244.23534	0.4
253.21759	100.0
281.24081	0.5
354.53427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11478	0.8
57.70841	1.0
58.02750	0.8
58.02982	10.4
64.73058	1.0
70.02984	19.5
71.02488	1.8
74.24953	1.0
87.05632	1.6
96.00911	21.3
97.08867	1.1
113.03564	12.5
114.01969	35.9
131.04604	16.8
179.23241	1.1
210.92326	1.3
254.24939	48.5
279.23349	1.7
280.26517	5.1
297.24310	1.4
346.59134	1.2
351.26572	37.2
369.27643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
54.57045	0.4
55.01884	4.3
56.05267	0.3
58.66041	0.4
60.45154	0.4
64.83251	0.4
71.01386	0.7
72.21310	0.5
99.00874	100.0
99.92568	2.2
100.93327	3.2
114.96782	0.4
115.92046	5.7
116.92854	4.6
135.35626	0.4
343.89761	0.5
369.17453	3.0
369.21536	0.6
369.30075	15.5
369.33527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.51046	0.8
57.03443	6.1
71.05018	14.7
135.76746	1.0
190.90196	0.9
224.44327	1.2
244.22742	1.0
267.26965	53.2
281.28513	35.0
291.26932	1.4
307.30103	1.7
325.31207	8.2
369.30142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3014
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.90247	0.5
75.79116	0.6
96.65728	0.6
104.90466	0.7
125.09286	0.7
127.16271	0.6
181.88704	0.6
289.45398	0.7
296.79868	0.7
307.30109	100.0
325.31213	3.4
351.29111	27.1
369.30145	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.31315	0.9
67.04076	0.9
72.99308	1.8
73.66734	1.1
75.00867	89.9
88.88880	1.0
98.42745	1.0
139.23349	1.1
164.85498	1.1
168.53488	1.1
212.38481	1.0
216.44913	1.3
281.24960	4.4
281.28479	1.3
293.28473	3.8
369.30133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3014
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.51004	2.0
52.18300	2.4
57.03454	4.9
61.62963	2.8
70.34670	2.5
71.05025	15.4
82.07787	2.5
90.40425	2.9
96.12755	2.9
99.92562	4.6
100.93347	4.1
106.17403	2.5
113.36132	2.9
115.92073	5.6
116.92871	24.3
159.67184	2.6
227.20078	3.5
267.26923	56.0
267.78119	2.9
281.28555	28.1
369.17542	31.0
369.30112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3377
Annotation	2-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
50.62119	2.3
55.04768	2.5
57.54705	2.4
63.38059	3.3
112.23753	3.3
163.98112	3.1
173.69150	3.2
191.18559	3.1
323.33145	64.3
369.33807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0931
Annotation	Nedocromil
Peak:m/z	Relative Intensity
50.07338	1.1
50.88663	1.1
54.94788	1.2
87.00850	5.9
89.55542	1.3
91.34843	1.7
93.03463	16.0
93.75890	1.5
94.03800	10.1
107.04334	1.3
111.04454	2.3
115.60283	1.2
134.03683	2.2
135.04025	2.2
158.07637	1.5
162.05540	2.1
173.04521	3.0
177.00633	2.7
191.02254	26.2
191.05630	21.5
192.03058	2.2
192.05959	25.0
193.06082	37.6
194.06477	22.6
195.05551	1.7
205.00047	5.6
206.00902	2.3
206.02779	2.8
206.04590	57.8
219.01611	2.2
220.02530	20.3
223.01234	24.2
234.04099	33.8
251.00510	1.8
296.05603	1.5
326.10248	1.9
327.07367	8.5
342.09811	19.8
355.06699	2.9
370.09219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0935
Annotation	Nedocromil
Peak:m/z	Relative Intensity
50.97834	1.4
65.00316	3.0
77.03963	2.2
92.75105	1.5
93.03448	3.4
109.02911	2.9
119.04983	1.7
121.02939	20.7
147.04517	2.2
147.22583	1.7
148.01575	2.0
158.03746	3.4
174.05566	9.2
176.07175	3.7
178.05072	12.2
196.05263	6.0
197.06168	6.1
202.05255	5.0
204.06607	5.8
225.05586	3.6
237.07922	2.0
239.07149	1.9
250.08719	2.4
252.10303	1.8
256.09845	3.1
282.11624	1.9
298.10855	11.5
326.10379	100.0
344.11432	33.6
370.09317	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04162	0.9
57.50896	0.8
62.12367	0.7
68.22477	0.8
79.70888	0.8
85.06330	0.8
87.50256	0.8
89.04756	0.8
113.06863	0.8
134.40997	0.8
134.51971	0.8
162.01956	1.1
163.02777	1.1
163.04036	3.5
177.00681	8.4
178.01472	8.1
190.01479	5.5
191.02257	60.7
192.03062	14.5
205.03694	1.0
206.04607	79.2
223.01241	33.7
237.02863	1.5
259.23187	1.0
291.43832	1.1
293.59308	1.2
326.06879	3.6
355.06961	8.8
370.09387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0936
Annotation	Nedocromil
Peak:m/z	Relative Intensity
59.01395	1.2
60.29347	0.9
73.24252	0.7
84.04534	0.8
85.68898	0.9
125.02449	0.8
130.08765	3.3
133.01660	7.3
142.29604	1.2
146.02533	1.1
147.03261	1.8
148.04050	16.9
150.05626	1.5
152.03526	1.7
154.60466	0.9
161.02477	3.9
162.01978	1.2
162.03217	6.1
163.04036	1.5
175.02747	40.4
176.03500	1.8
178.05087	3.9
190.05176	4.0
194.11823	0.9
206.04611	1.2
236.07155	5.6
253.05183	1.0
266.08325	3.5
268.06219	3.9
279.05316	7.2
293.07135	1.5
294.07712	1.3
296.05664	39.7
298.07324	1.1
310.07068	9.9
311.07968	9.6
326.06714	8.7
326.10446	24.0
349.17075	1.0
370.05658	8.6
370.09430	100.0
370.23398	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84972	1.1
60.99311	2.3
62.99719	1.7
64.58262	1.5
67.01888	7.8
68.02199	1.5
85.02962	2.5
86.03297	1.7
87.00867	10.5
88.01218	1.7
89.01321	6.1
92.23174	1.9
93.03450	43.0
94.03793	25.5
95.04001	2.3
103.68302	1.5
111.04520	2.8
112.04836	1.8
118.40366	1.3
134.03746	10.8
135.04088	9.1
136.04263	3.3
149.06128	2.1
173.04536	3.5
174.04933	5.4
175.05072	2.4
176.05302	3.0
191.04015	2.4
191.05646	51.4
192.05992	51.6
193.06125	100.0
194.06491	56.4
195.05536	8.1
196.05891	8.2
264.05508	1.8
347.76981	1.5
370.11258	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52434	0.7
52.57246	0.8
52.75017	0.7
66.96937	0.7
80.72593	0.9
100.84071	0.8
237.65752	0.8
265.01416	11.1
280.03915	1.1
282.01895	1.5
294.05707	1.3
295.02411	1.0
296.03290	8.7
297.03964	10.7
310.04935	1.3
311.05649	46.5
312.06195	1.5
322.07172	1.5
323.04153	1.3
323.07996	34.7
325.06326	1.5
338.10376	13.8
340.08258	12.1
347.21503	0.9
355.10657	18.9
370.12973	100.0
382.37991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.5
64.13924	1.5
64.60240	1.5
70.77168	1.6
87.07882	1.7
122.43818	1.7
137.02438	3.0
139.04028	3.1
142.66553	1.7
149.02341	2.6
160.03990	3.4
174.05594	8.6
190.47493	1.7
212.28519	1.6
212.43382	1.8
238.73090	1.9
253.07544	2.8
268.09543	3.1
269.06870	2.9
279.05411	15.8
280.06158	38.2
284.09210	4.1
294.07751	24.3
295.06018	2.4
296.05673	4.1
296.09238	3.5
297.06314	16.8
311.08084	9.3
312.05344	3.7
312.08801	74.8
322.07178	3.5
325.06061	4.0
326.10361	100.0
327.11090	36.7
337.09613	3.5
340.08279	9.4
342.13492	96.5
352.11969	16.6
355.10721	7.4
370.12964	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1299
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
65.77470	0.6
65.90450	0.7
73.06326	0.6
77.43785	0.7
89.72667	0.7
121.34673	0.7
192.00446	0.7
193.00891	0.9
207.02841	1.3
208.03351	1.8
249.07889	1.3
268.03705	1.0
282.01715	4.0
282.05365	0.8
294.05402	3.8
295.02469	4.5
296.03238	17.0
297.04089	16.3
310.04849	7.6
311.05637	86.8
312.08920	1.1
322.07294	2.9
325.06491	3.4
338.10391	18.6
340.08264	25.0
355.10632	24.6
370.09192	3.9
370.12973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43351	1.5
57.85215	1.5
67.91030	2.1
74.41618	1.8
126.07295	1.7
137.02512	1.7
139.40587	1.7
144.86061	1.8
149.02441	2.2
149.06174	2.2
160.01614	2.2
176.58693	1.9
187.10017	1.8
190.05196	1.9
191.05933	18.2
206.08275	11.8
217.28119	2.2
235.04034	4.0
239.09514	3.8
243.09055	2.0
253.08659	1.9
255.09039	7.0
266.12003	2.9
267.09003	32.2
271.08472	18.2
282.05167	2.7
282.11377	100.0
297.04501	1.8
297.07828	10.8
297.93701	2.4
299.46091	1.9
310.07599	4.1
310.10974	23.7
312.09967	10.0
326.13803	3.2
340.12009	7.2
355.14337	99.8
370.09177	5.7
370.13077	9.1
370.16776	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38773	0.8
63.31198	1.0
65.86401	0.8
72.09245	1.1
85.02936	2.0
103.05442	0.9
268.03720	1.2
282.01620	2.4
285.04269	1.1
294.05411	1.8
295.02460	2.1
296.03262	14.8
297.04129	12.8
307.42786	1.2
310.04868	6.1
311.05643	74.8
322.07397	1.5
323.08005	1.7
325.06424	1.9
338.10413	21.1
340.08231	19.6
340.32755	1.1
340.71509	1.2
352.08316	1.2
355.10602	22.6
370.09442	3.8
370.13000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.7
60.39528	1.1
89.02463	1.2
152.53676	1.1
189.03990	1.2
192.63792	1.4
237.05537	8.6
268.03738	1.5
269.08252	1.3
282.01721	2.7
296.03244	14.4
297.04001	15.2
310.04834	7.6
310.14462	6.6
311.05658	83.1
322.07263	1.8
325.06458	1.3
328.15656	2.6
338.10352	20.3
340.08331	22.1
355.10641	22.0
370.12970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1301
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
57.25180	0.7
58.34601	0.8
61.02450	0.9
71.01414	0.9
72.68513	0.8
74.04659	0.8
84.93897	1.0
86.67207	0.9
108.04548	38.7
114.02071	0.9
152.03534	100.0
162.01994	1.1
187.07651	1.2
190.05244	1.1
194.04567	1.3
200.66904	1.0
206.04573	1.8
208.13470	1.3
213.79286	1.1
222.04036	12.2
234.04115	9.5
252.05069	7.9
314.69159	1.0
326.06784	1.1
370.05533	3.7
370.13022	71.4
370.18469	4.1
370.23166	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38773	0.8
63.31198	1.0
65.86401	0.8
72.09245	1.1
85.02936	2.0
103.05442	0.9
268.03720	1.2
282.01620	2.4
285.04269	1.1
294.05411	1.8
295.02460	2.1
296.03262	14.8
297.04129	12.8
307.42786	1.2
310.04868	6.1
311.05643	74.8
322.07397	1.5
323.08005	1.7
325.06424	1.9
338.10413	21.1
340.08231	19.6
340.32755	1.1
340.71509	1.2
352.08316	1.2
355.10602	22.6
370.09442	3.8
370.13000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82704	0.9
55.91607	0.9
70.30207	0.9
74.18037	1.0
104.56565	1.0
121.02963	1.2
137.02480	1.4
149.06140	1.8
163.06456	1.3
166.23653	1.0
166.26956	1.1
168.22394	1.0
179.65572	1.1
190.05106	1.6
191.05896	17.7
206.08241	10.3
238.12450	1.5
254.05956	1.3
267.09030	2.5
282.05380	2.3
282.11365	9.5
297.07660	10.5
310.10876	2.6
312.09836	8.7
325.09601	4.3
340.11844	7.9
355.09854	2.1
355.14294	88.5
370.16669	100.0
370.50510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18787	0.8
80.13775	0.8
94.94839	0.9
109.02935	4.0
121.02940	7.4
127.12406	1.1
134.03752	8.2
137.02449	24.0
149.02426	18.6
149.06073	35.3
160.01637	1.7
165.01935	4.6
190.05107	4.5
191.05890	9.0
205.07445	1.0
206.08270	4.8
218.08345	1.2
269.08093	1.3
282.05261	1.7
297.07718	9.3
310.07401	4.7
312.09628	1.7
312.12723	1.6
325.09586	9.9
340.11969	13.5
355.14273	46.2
370.16629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1665
Annotation	Stepharotine
Peak:m/z	Relative Intensity
51.16181	1.8
51.94570	2.0
57.53110	1.9
65.73396	1.9
67.34389	2.1
67.65396	2.0
74.03831	1.9
88.79279	1.8
97.72015	2.0
109.02954	3.6
119.06479	2.2
121.02969	4.5
132.69832	2.4
134.03712	8.7
137.02446	23.3
143.82156	2.2
149.02452	12.3
149.06067	27.3
160.01724	3.6
177.61363	2.3
190.05185	3.8
191.05914	4.7
206.08215	2.4
240.06645	3.5
240.10431	2.8
254.08272	3.2
255.09006	4.6
270.11203	3.1
281.03076	3.1
288.24326	2.6
297.07648	9.1
312.12564	9.2
325.09549	11.6
326.24655	2.5
340.11896	9.6
355.14285	45.1
370.12958	5.9
370.16718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1662
Annotation	trans-N-Methylcorypalmine
Peak:m/z	Relative Intensity
57.68576	0.7
59.39881	0.7
70.81142	0.8
75.89127	0.8
97.87774	0.9
97.91040	1.0
103.40060	0.8
121.02950	1.3
134.03806	1.3
137.02522	1.8
149.02419	3.2
149.06143	5.2
162.05638	1.2
169.88078	0.9
187.10011	1.1
190.05148	3.5
191.05896	18.1
191.07376	0.9
206.08223	7.9
213.01945	1.3
215.09595	1.5
218.08313	1.0
223.04059	1.1
228.04573	1.1
235.04086	1.6
238.12405	1.5
239.09496	7.1
243.09023	3.6
252.04369	0.9
253.05118	1.8
253.11151	2.2
255.09021	8.3
259.35834	1.1
265.11368	1.0
266.11945	2.1
267.06403	1.5
267.09055	31.6
267.11710	1.4
269.04630	2.0
271.08545	16.2
282.11392	100.0
296.05850	1.6
297.04260	5.2
297.07724	4.2
299.08093	2.0
300.12680	1.4
304.37579	1.0
310.07654	1.8
310.10858	18.6
312.09940	6.2
323.08237	1.3
325.09848	2.1
326.14142	2.1
338.10519	1.6
340.12167	6.4
355.09912	1.3
355.10809	1.2
355.14337	72.0
370.13242	8.8
370.16827	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82704	0.9
55.91607	0.9
70.30207	0.9
74.18037	1.0
104.56565	1.0
121.02963	1.2
137.02480	1.4
149.06140	1.8
163.06456	1.3
166.23653	1.0
166.26956	1.1
168.22394	1.0
179.65572	1.1
190.05106	1.6
191.05896	17.7
206.08241	10.3
238.12450	1.5
254.05956	1.3
267.09030	2.5
282.05380	2.3
282.11365	9.5
297.07660	10.5
310.10876	2.6
312.09836	8.7
325.09601	4.3
340.11844	7.9
355.09854	2.1
355.14294	88.5
370.16669	100.0
370.50510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27320	3.3
54.76067	3.2
57.61926	3.8
59.01385	24.1
61.98835	100.0
62.33268	3.1
72.34258	3.4
73.10418	3.5
103.89061	4.1
123.08167	4.9
127.07619	4.0
127.57200	3.7
137.06087	5.6
139.99060	4.0
144.71245	3.8
164.98535	4.3
171.10332	5.4
185.11823	6.1
201.11320	6.4
223.13431	7.6
235.13353	15.5
268.13455	6.5
305.17612	9.1
323.18610	53.6
352.17664	6.0
370.18768	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98833	100.0
68.15269	1.1
74.64436	0.9
75.25896	0.9
90.81889	1.0
103.02748	0.9
136.19798	1.0
137.14621	1.0
144.56992	1.2
349.05051	1.3
370.22894	1.4
374.75571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20662	0.5
54.87323	0.6
59.01374	2.9
64.80419	0.6
68.53831	0.6
76.19056	0.6
77.17297	0.8
86.11084	0.7
91.24639	0.8
118.66157	0.8
127.11263	3.6
147.10690	0.6
153.12822	11.2
155.10796	1.7
157.12337	15.9
168.13963	1.5
171.13901	2.7
173.11815	24.6
184.13405	1.2
196.13445	1.0
197.11844	18.5
212.12921	1.7
214.14497	100.0
215.12929	8.7
221.91051	0.8
230.13988	11.1
296.23041	1.3
320.70276	0.9
370.21674	1.8
370.25992	40.6
370.30606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72023	22.2
59.01369	100.0
62.14890	22.2
130.67328	23.8
205.22141	25.4
237.70251	27.5
263.73102	23.4
294.81940	24.2
308.51578	29.2
339.18594	23.8
350.13559	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06246	0.7
59.01379	100.0
61.24132	0.7
61.98825	4.5
65.61884	0.7
81.04822	0.8
81.96716	0.7
84.40884	0.8
85.83358	0.8
130.23665	0.7
151.56061	0.7
198.75662	1.1
237.81636	0.8
245.69485	1.0
292.22928	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62857	0.7
53.26608	0.8
57.84728	0.7
65.33450	0.6
71.01383	9.6
88.04038	64.4
96.99299	4.0
113.81552	1.0
114.01993	1.3
115.00352	15.0
132.03032	3.3
144.49623	0.8
145.56450	0.7
154.35208	0.7
154.67136	0.9
168.34766	0.8
180.67479	0.9
238.33304	0.8
254.24915	52.7
255.23351	24.9
308.26044	1.7
326.27139	7.1
370.26019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15241	1.0
59.01384	100.0
60.30507	1.0
61.98837	9.6
68.84236	1.0
107.08678	1.2
133.13144	1.4
198.88036	1.2
261.18710	1.4
279.19775	3.0
292.22864	7.8
310.20959	2.2
323.18555	2.4
344.38730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64460	0.6
58.24134	0.6
59.01381	100.0
100.27653	0.8
134.40108	0.8
148.83479	0.8
234.84062	0.9
292.22934	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54437	0.7
59.01384	100.0
61.64823	0.7
61.83504	0.8
61.98854	1.1
75.34019	0.7
75.73785	0.8
115.12357	0.9
116.92853	1.0
212.13762	1.2
223.35216	0.8
257.00690	1.0
292.22830	5.8
310.24054	1.9
370.23080	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2752
Annotation	Cyclomicrobuxinine
Peak:m/z	Relative Intensity
53.19120	0.6
62.47533	0.7
65.07150	0.9
69.92638	0.8
87.42507	0.8
108.04544	100.0
112.43744	0.8
127.02612	0.8
130.08749	1.4
162.10573	0.9
171.11433	0.9
242.62175	1.0
299.50757	0.9
370.27576	39.1
370.32022	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05053	3.8
73.02934	1.2
86.02482	1.4
88.04028	15.1
90.22623	0.7
114.05598	5.9
237.22209	1.5
276.27017	1.6
324.44424	1.0
352.28726	4.3
358.80115	1.1
370.29663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53764	0.8
59.01376	2.2
68.05050	4.5
70.06628	1.0
72.99249	0.9
73.02942	1.1
75.88750	0.9
79.95692	0.9
86.02474	1.5
88.04036	18.1
94.27101	1.0
94.99869	1.0
114.05605	5.3
130.05083	1.1
139.11330	7.9
141.12907	1.5
169.12357	1.3
183.10257	5.0
184.39523	1.2
187.13412	14.1
200.12933	32.6
212.04759	1.0
216.12314	1.0
237.22334	3.6
288.04459	1.0
298.27640	1.5
306.28104	1.3
321.62543	1.1
322.27551	1.4
338.27118	1.4
352.28769	4.5
370.25937	12.5
370.29782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03434	2.9
59.01373	6.3
62.59566	2.3
71.01379	14.2
73.35425	2.3
73.71326	2.4
75.00868	26.7
78.48502	2.2
85.02949	16.0
87.00854	11.0
89.02466	3.3
93.03463	4.9
94.03783	2.7
99.00864	11.8
103.34579	2.5
103.68507	2.6
117.03461	3.0
120.59184	2.6
129.01947	22.8
134.03734	40.8
149.06070	11.3
159.02994	5.8
162.81570	2.6
169.07364	2.5
174.04805	3.6
175.05217	2.9
176.05191	3.5
177.04053	55.2
191.07216	2.4
193.04988	46.4
194.06392	2.9
195.05083	42.7
195.06586	3.7
247.89519	2.4
371.09903	100.0
384.33017	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28162	1.5
55.77332	1.7
57.03434	3.9
59.01375	8.9
59.91656	1.4
66.30001	1.5
69.19621	1.7
71.01386	20.2
75.00865	25.0
85.02933	11.9
85.62701	1.5
87.00857	16.4
89.02409	1.7
93.03417	2.9
95.67166	1.6
97.02944	1.7
99.00849	10.6
107.81283	1.7
129.01939	18.3
134.03732	30.0
149.02449	2.2
149.06061	7.9
150.03317	1.6
159.02985	2.6
164.04776	11.7
165.04036	2.5
165.61087	1.9
174.04906	3.1
175.05038	3.8
177.04050	51.3
177.05537	3.1
191.05597	2.8
191.07150	2.1
192.05940	2.1
193.05029	32.7
195.05107	38.8
223.06046	6.5
353.12329	2.7
371.09781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.0
59.01396	1.4
61.02632	1.2
68.41975	1.1
71.01374	1.8
72.73051	1.2
75.00887	1.7
80.24471	1.3
89.02406	1.3
121.02959	1.5
129.01941	6.5
147.03014	7.7
147.04526	7.6
149.02437	44.9
164.04790	82.0
165.04024	1.5
172.13066	1.3
176.05341	1.4
177.04024	1.5
179.07185	5.7
179.98584	1.3
208.03795	6.6
223.06116	100.0
335.66132	1.4
353.08047	1.4
353.75656	1.6
371.09854	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39486	1.4
53.23323	1.7
59.01385	19.8
69.03452	3.2
71.01380	11.9
72.99303	53.9
74.99104	3.0
85.02940	7.8
87.00865	12.3
89.02439	82.5
97.02938	9.2
101.02446	14.9
113.02438	4.2
119.03462	4.1
123.03763	2.0
123.04491	18.2
129.01962	2.4
135.04517	39.3
137.02480	3.9
179.03500	53.9
191.05614	19.2
197.04559	100.0
199.77408	1.8
245.47490	2.5
279.75497	2.3
335.09760	3.3
371.11957	60.8
379.25922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56264	0.8
56.02308	1.0
57.03438	5.2
59.01391	8.6
65.79806	1.0
71.01373	14.6
74.47580	1.0
75.00871	27.3
76.96258	1.0
85.02953	14.4
87.00867	6.3
89.02438	2.5
99.00882	19.0
111.00851	1.5
117.03439	1.4
129.01936	16.8
134.03734	25.2
147.02965	10.6
147.04510	6.0
149.02431	27.6
149.06058	5.3
153.68245	1.2
159.02950	4.9
164.04797	52.6
165.04044	28.8
175.04015	2.4
177.04039	30.2
179.07053	1.9
191.07162	5.0
193.05089	32.0
195.05101	30.9
209.02975	2.0
223.06149	44.1
371.09836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
58.78038	0.8
59.01383	9.2
68.62414	1.1
69.86562	1.0
71.01390	8.9
71.01887	0.9
72.32162	0.8
72.99301	1.6
75.00871	24.8
77.69115	0.9
85.02953	13.7
87.00871	5.5
89.02461	1.7
92.50430	1.0
99.00872	12.5
101.02447	1.2
117.03495	1.2
121.02926	1.5
129.01938	16.6
134.03734	14.1
147.03032	10.4
147.04425	7.3
149.02431	35.0
149.03564	1.5
149.06013	2.1
159.02971	1.3
164.04797	79.8
165.04050	50.5
176.04800	1.4
177.04030	24.4
179.07118	6.7
191.07164	1.4
193.05035	20.6
195.05127	20.2
208.03773	1.2
209.03044	5.3
214.77879	1.2
223.06133	63.4
226.55566	1.2
353.08875	1.3
371.09851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74683	0.3
53.58363	0.3
59.01382	4.8
60.74756	0.3
71.01371	0.7
73.02934	0.4
79.01698	0.4
85.02953	0.5
89.02456	1.4
91.01888	9.6
92.23120	0.3
95.74391	0.3
104.28120	0.3
135.00885	23.9
153.01938	0.7
166.02692	0.5
167.03494	100.0
186.86688	0.4
209.20026	0.5
212.12378	0.3
278.45377	0.3
371.09686	4.9
371.20758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
57.47697	2.1
58.26241	1.8
59.01373	5.1
71.01379	5.1
75.00866	24.7
84.21795	1.9
85.02950	11.3
87.00917	2.5
90.50737	2.4
99.00886	16.2
115.48135	2.1
121.02925	2.3
122.35413	2.3
129.01907	16.2
129.03485	2.5
134.03746	16.4
136.97731	2.5
144.69089	2.2
147.02977	11.6
147.04489	15.0
149.02443	54.9
164.04802	100.0
165.04048	56.4
165.31750	2.2
177.04068	12.4
179.07097	8.0
183.08707	2.4
193.05093	17.6
195.05090	13.7
223.06129	73.5
243.59172	2.4
283.10089	2.9
289.66562	2.3
309.75452	2.2
371.09894	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39486	1.4
53.23323	1.7
59.01385	19.8
69.03452	3.2
71.01380	11.9
72.99303	53.9
74.99104	3.0
85.02940	7.8
87.00865	12.3
89.02439	82.5
97.02938	9.2
101.02446	14.9
113.02438	4.2
119.03462	4.1
123.03763	2.0
123.04491	18.2
129.01962	2.4
135.04517	39.3
137.02480	3.9
179.03500	53.9
191.05614	19.2
197.04559	100.0
199.77408	1.8
245.47490	2.5
279.75497	2.3
335.09760	3.3
371.11957	60.8
379.25922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1137
Annotation	7,8,3',4',5'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
50.59710	0.9
50.98671	0.9
51.70169	0.9
98.00101	2.3
108.01464	1.2
108.02143	6.1
123.00893	15.2
124.01702	8.5
136.01659	8.4
151.03967	1.7
161.02420	12.9
163.03972	5.4
175.04022	10.9
176.04800	6.6
189.01933	2.0
190.02740	19.3
191.03571	1.4
191.07147	2.4
204.04272	7.3
205.05054	23.1
209.04491	1.8
219.57184	1.3
301.29456	1.2
327.08963	2.6
341.06668	7.8
341.10336	2.1
355.08212	6.7
356.08975	12.6
371.11371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1136
Annotation	Juglorin
Peak:m/z	Relative Intensity
57.32430	1.2
59.01386	1.5
62.76780	1.1
69.18330	1.6
69.18739	1.2
71.01396	1.5
71.02599	1.1
109.02945	17.5
120.93719	1.7
125.09718	5.5
136.01646	16.1
151.04012	25.9
159.04491	3.4
160.05292	46.2
164.04750	1.4
175.07648	15.9
187.09720	2.4
209.11850	1.5
235.13374	1.5
239.07025	2.2
253.14496	2.5
258.86026	1.4
267.03732	1.9
267.06644	97.6
282.09000	100.0
297.11340	39.7
312.10187	2.4
327.12405	83.6
371.11481	45.1
371.16293	2.7
377.27805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.114
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
53.32191	0.9
58.18238	0.9
59.01387	8.3
60.57190	0.9
72.06335	1.0
76.86926	1.0
80.56124	0.9
101.89582	1.0
111.98531	0.9
121.02927	12.1
132.02177	1.3
133.06578	4.4
147.04538	1.3
149.02437	100.0
150.03201	2.0
164.04799	14.4
165.05515	2.7
177.05495	1.2
179.07240	1.6
211.13441	1.3
237.05630	4.7
251.07043	1.5
264.07690	1.0
265.05112	1.5
268.07336	1.3
269.08102	2.1
280.07443	1.3
282.05533	1.9
297.07455	1.2
311.22089	8.8
312.10059	8.1
327.12439	8.7
371.11353	69.2
371.15936	2.3
371.24191	6.0
380.48853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	7,8,3',4',5'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
59.01381	12.5
59.54538	0.9
73.02936	1.2
82.88385	0.9
89.15437	1.0
97.06563	1.9
98.00091	4.5
108.02167	1.8
111.00905	1.6
123.00875	13.3
124.01633	9.1
125.09696	2.3
130.08730	6.6
136.01689	5.1
151.03992	2.2
161.02458	13.1
162.03117	1.7
163.04015	6.8
166.31200	1.0
175.03952	9.5
176.04803	3.9
189.01941	1.2
189.05330	1.2
190.02760	13.2
191.07166	5.1
196.09738	1.6
199.18214	1.5
200.12982	1.2
204.04337	7.3
205.05063	24.1
208.03767	1.1
214.14546	1.2
311.05798	1.7
311.09198	1.2
327.08902	2.0
327.12549	1.6
327.19263	5.8
334.69125	1.3
339.22961	1.5
341.06577	5.8
355.08261	2.1
356.09024	10.2
371.11414	100.0
371.17407	3.7
371.18561	3.7
371.24405	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Licoleafol
Peak:m/z	Relative Intensity
50.66325	0.7
52.66498	0.8
61.50986	0.9
62.40557	0.8
63.03967	1.0
66.36369	0.9
97.06612	1.3
108.02164	1.6
109.02960	1.9
121.02975	1.8
125.09714	29.7
142.12466	1.3
147.04520	7.4
148.05293	12.8
150.03236	1.6
152.99577	4.3
162.03218	1.4
162.06906	1.3
163.07764	1.1
176.04784	6.4
180.04340	1.4
186.11368	100.0
191.03543	19.2
191.05293	1.4
191.07195	11.8
192.04341	5.8
194.05930	1.2
206.05865	11.2
220.03758	6.2
223.63429	1.0
224.03181	3.5
233.04756	2.9
235.06085	2.5
238.04939	8.0
264.07825	1.3
265.08868	1.2
267.06555	7.1
268.07431	1.5
279.06662	5.5
283.09766	1.8
295.06027	1.7
309.07782	2.4
311.05798	4.5
323.05582	6.1
326.08026	6.4
327.08826	10.1
327.12430	3.6
338.07880	2.2
341.06772	1.4
341.10208	8.0
353.10175	10.2
353.24445	1.2
355.08246	5.1
356.09009	11.5
370.86566	1.1
371.11414	72.0
371.15945	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57389	0.6
58.77361	0.5
85.02956	1.4
97.16029	0.6
120.71255	0.6
191.05634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07273	1.0
59.01384	2.9
59.88052	1.1
60.51292	1.0
63.02667	1.1
67.91315	1.3
83.05019	8.5
84.04554	2.6
98.72011	1.3
102.05607	31.9
123.71705	1.3
127.04015	15.3
128.03535	59.8
128.07155	2.3
129.05563	4.8
140.05890	7.6
140.07076	1.9
146.04617	15.7
155.08263	11.8
170.15498	1.9
171.15042	2.3
180.14008	14.5
196.13449	1.7
197.12949	5.6
197.16449	1.4
198.14990	20.2
199.13341	2.8
223.14590	2.1
224.12936	50.5
224.15141	2.0
225.11427	3.0
241.15578	2.3
242.14159	3.0
243.12466	7.0
251.36226	1.2
327.19266	8.0
371.18259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89808	1.3
56.96616	1.3
59.01384	1.7
59.21466	1.4
61.59134	1.2
70.58653	1.4
73.02935	2.0
82.06618	2.8
94.56121	1.8
97.06584	3.1
97.60703	1.6
100.04046	7.2
111.08260	1.6
125.09735	10.7
130.08736	100.0
140.07208	2.9
152.10794	12.0
158.08203	2.4
168.09044	10.6
170.11868	6.5
178.08723	8.1
196.09824	39.9
197.16666	10.3
199.18175	23.7
225.16106	21.9
239.21272	6.7
243.17157	13.1
283.20218	2.1
315.12253	1.6
327.15451	3.4
327.19330	99.0
334.14252	1.4
339.22900	9.3
371.11237	8.7
371.18307	67.4
371.25507	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.19
Annotation	Lehualide J
Peak:m/z	Relative Intensity
56.42420	0.3
59.01381	4.3
60.83529	0.4
62.71446	0.4
69.22701	0.3
70.70264	0.4
79.95732	3.9
93.08511	0.4
94.13824	0.4
94.98070	6.7
123.83753	0.4
139.11328	1.0
171.10275	2.9
201.11334	0.5
211.17120	2.5
229.14409	0.4
255.15976	0.7
293.21323	2.2
311.22345	5.5
329.23520	0.7
371.19031	100.0
371.24149	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
61.98819	3.8
102.77895	3.4
117.28481	3.9
117.39351	4.7
118.17577	3.8
123.28728	4.1
142.60303	4.0
145.94960	3.5
152.78908	3.4
215.25102	4.8
233.99857	4.5
253.18094	48.1
279.16061	23.1
320.83188	4.5
367.63165	4.2
371.10858	4.8
371.20145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18791	0.3
57.29753	0.4
59.01389	1.9
59.08252	0.4
68.77306	0.4
71.78291	0.3
74.06652	0.4
87.54250	0.4
89.02431	0.5
91.04025	0.9
96.00388	0.4
159.02379	0.4
179.14441	0.6
185.07240	8.0
200.13005	0.4
209.19101	1.0
235.17047	3.1
253.18108	100.0
261.15021	2.6
279.16095	7.6
297.17072	2.6
353.19742	0.9
371.15341	4.7
371.20758	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.208
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.98239	1.0
55.01888	2.9
55.79963	1.1
57.03442	3.0
59.01101	2.7
59.01382	42.0
64.58817	1.2
71.01380	44.6
73.02943	18.3
73.40454	1.2
83.01389	7.6
85.02946	29.0
86.00090	1.2
89.02432	11.8
95.01392	2.8
99.00891	6.2
100.17079	1.2
101.02444	42.6
111.45580	1.3
113.01765	1.5
113.02466	20.5
119.03458	2.9
149.38397	1.5
159.03003	2.3
161.04584	23.0
164.06963	1.5
198.09265	1.4
209.15483	5.8
256.50293	1.3
371.09988	1.9
371.20813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43730	0.6
63.68961	0.5
71.01380	66.8
81.74249	0.5
82.60021	0.6
88.12848	0.5
91.62671	0.6
100.93342	5.5
115.00352	16.4
115.92068	5.4
133.01344	0.9
163.61377	0.6
180.83176	0.6
182.75336	0.5
214.61902	0.7
247.61374	0.6
252.63191	0.6
255.23318	100.0
293.10776	0.6
328.49304	0.7
369.66504	0.7
371.24423	3.7
376.49359	0.6
393.25140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78904	1.3
59.01379	62.7
69.10241	1.3
80.06908	1.3
80.24344	1.3
80.97417	1.2
83.05034	1.4
99.08125	3.4
101.04257	1.3
113.09706	3.2
121.10256	1.6
125.09703	5.7
139.11298	19.9
155.10825	2.2
165.12880	1.9
171.10284	39.1
183.13835	2.0
193.12256	10.0
211.13403	35.2
212.18265	1.3
223.67877	1.3
229.14426	9.6
243.12378	2.0
249.22173	2.1
293.21198	43.7
297.10168	1.7
311.22318	100.0
329.23453	15.4
371.19833	3.1
371.24445	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68211	0.4
89.32810	0.4
97.06575	1.6
101.52690	0.4
105.88311	0.5
106.74789	0.5
125.09710	31.4
142.12392	1.1
147.04466	0.7
148.05267	2.2
168.10304	0.4
168.12134	0.5
169.08728	0.8
176.04848	1.0
186.11359	100.0
191.03453	3.9
191.07175	1.0
194.05730	0.5
206.03960	0.5
206.05838	2.3
220.03712	0.8
224.03302	0.6
238.04793	2.0
278.71338	0.5
279.06580	0.5
300.74402	0.4
323.05447	1.1
326.07956	0.9
327.08795	1.9
338.07822	0.7
341.10388	1.0
353.10413	1.9
353.24539	0.6
355.08224	0.7
356.08966	3.1
371.11395	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77431	0.3
58.70647	0.3
75.62122	0.4
91.65100	0.4
92.26353	0.5
111.08147	2.4
125.09736	0.6
139.11296	21.1
156.13950	1.0
170.11833	0.5
172.09798	7.4
182.11818	1.0
183.10275	13.7
186.11357	0.5
197.47768	0.5
200.12936	100.0
201.11337	2.3
341.10489	0.6
353.10028	0.6
353.24365	0.5
355.08130	0.6
371.11215	3.2
371.25381	1.8
386.26779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01405	0.7
71.72062	0.6
90.40585	0.6
97.06587	7.0
106.43966	0.6
111.08110	0.8
123.08149	3.3
125.09716	100.0
130.08768	1.1
142.12358	1.3
147.18709	0.7
147.34999	0.7
152.10788	5.1
158.08237	1.6
169.08698	1.6
170.11865	0.8
186.11380	1.4
195.99399	0.6
197.11809	0.9
214.14551	5.4
278.21329	5.2
297.52982	0.7
321.21896	1.1
322.20264	8.1
325.00946	0.7
339.22937	88.0
371.11417	0.7
371.25568	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2597
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.65937	1.9
59.01389	2.6
61.83728	1.8
85.40818	1.8
90.55019	1.9
96.26902	1.9
115.03446	2.0
121.06596	46.9
137.06055	4.5
145.67409	2.2
164.04903	2.0
165.05592	37.0
177.05568	19.7
179.03493	3.4
189.12831	2.6
191.07184	11.0
212.87248	2.1
233.11856	100.0
245.19115	8.4
248.10353	2.8
258.15518	2.3
268.75159	2.9
300.18433	2.0
302.18924	8.9
327.19540	2.9
327.26941	34.0
371.25967	65.8
378.02228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65551	0.4
56.80011	0.4
57.33448	0.4
58.64209	0.4
71.01362	0.5
75.00864	0.7
88.73171	0.4
91.39232	0.4
97.54180	0.4
115.03997	0.7
116.11609	0.4
116.97749	0.4
118.69849	0.4
129.00301	0.5
133.05089	1.7
135.42944	0.5
142.67612	0.6
181.04611	0.5
255.23323	100.0
371.27957	2.1
371.31903	1.7
385.46924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29182	0.3
68.04977	0.3
84.85532	0.3
85.03429	0.3
87.00835	0.4
101.93325	0.4
105.01921	2.4
116.92126	0.4
117.91938	0.5
136.65382	0.4
168.66985	0.4
189.00815	0.3
283.26456	100.0
371.28015	7.1
371.31952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53400	0.5
55.33601	0.4
59.01381	0.5
61.56198	0.4
70.31425	0.5
71.01405	0.6
71.77975	0.6
73.35658	0.5
107.23267	0.5
115.04058	0.7
133.05045	0.7
160.05304	0.9
188.08397	0.8
189.08878	0.6
202.09880	0.8
203.10576	0.7
204.11151	1.3
215.94853	0.6
255.23309	100.0
281.24832	8.7
282.25198	9.8
283.25522	33.1
327.22845	6.0
329.84229	0.6
352.87448	0.6
371.21753	3.5
371.27155	3.3
371.31558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04788	0.3
64.79223	0.4
68.02811	0.3
74.75368	0.4
89.35342	0.3
95.84973	0.3
102.83722	0.4
109.57211	0.3
140.31044	0.4
158.05051	0.4
163.62010	0.4
186.46584	0.4
251.09094	0.4
255.23314	100.0
261.20007	0.4
268.22330	0.4
348.48480	0.4
371.19846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3164
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
50.62262	0.4
51.67846	0.3
57.03459	4.4
59.01368	0.5
71.01395	0.5
71.05023	1.7
71.68661	0.4
85.02940	5.0
93.80616	0.5
94.51039	0.4
97.77956	0.5
103.13579	0.4
255.23309	10.4
267.26950	34.7
281.28479	3.3
283.25662	0.6
304.51373	0.5
307.30222	0.7
309.27960	0.9
325.31216	6.5
371.31729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02628	9.7
53.22071	9.4
54.13427	9.3
64.78494	10.8
70.56454	10.3
74.92996	11.8
75.59689	10.2
91.16449	10.7
133.68022	11.1
135.15662	12.3
141.43147	11.4
372.16965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Pseudoargiopinin III
Peak:m/z	Relative Intensity
52.90064	1.2
63.15740	1.6
68.73097	1.5
69.62357	1.3
72.82906	1.6
80.63110	1.7
82.30180	1.4
114.09264	15.8
121.49278	1.5
142.08734	100.0
142.09816	3.3
171.10349	2.1
181.12413	8.3
185.11914	6.0
186.07716	17.4
197.11911	13.4
198.12202	18.4
201.09279	1.8
204.78760	1.5
207.10298	23.7
211.13458	2.9
225.11343	30.5
241.10757	11.5
242.11198	11.6
254.14108	1.8
266.18515	2.4
293.17618	2.0
310.20450	9.1
328.09293	1.7
354.19446	14.6
372.20520	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74436	14.1
59.01380	100.0
60.48223	13.5
62.89196	14.7
76.18167	16.2
92.01434	15.5
96.20228	17.3
110.66647	16.2
157.83894	18.7
198.20938	18.1
289.91467	21.2
312.25693	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29688	1.3
59.01382	100.0
61.36685	1.1
61.98824	2.5
70.50582	1.5
73.02953	6.1
74.02470	8.1
84.18265	1.2
116.01749	1.4
118.05077	5.8
130.09415	1.3
203.83496	1.3
204.52156	1.3
223.20647	3.4
253.21655	2.7
256.16360	3.4
257.17532	1.8
258.17957	7.5
354.26126	1.9
372.27588	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42979	0.7
58.85585	0.9
59.01384	100.0
61.06713	0.8
61.98842	1.0
62.14456	0.8
73.69090	0.8
74.67234	0.8
74.85193	1.0
80.06310	0.8
98.45916	0.8
102.36566	1.0
181.62788	1.2
294.24426	1.3
372.27792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15171	1.3
57.18770	1.5
57.95203	1.5
58.91222	1.2
59.01384	100.0
59.48707	1.5
61.98830	4.0
69.53320	1.3
91.50629	1.8
103.40626	1.7
105.17549	1.9
127.55848	1.6
162.50833	1.7
206.25957	1.7
248.53490	2.1
290.40961	1.7
350.72690	1.7
365.12125	1.9
370.74954	2.0
371.67816	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72076	2.6
54.44127	3.0
59.01381	100.0
74.02469	3.8
75.00878	13.5
83.50629	3.4
97.40227	2.8
100.04063	3.5
118.05079	15.5
130.05098	5.9
146.25990	3.7
219.26640	4.2
247.66156	4.0
320.85074	4.2
372.27621	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.46456	0.8
96.70589	0.8
130.75562	0.7
135.45969	0.9
155.14381	0.9
164.70201	0.9
171.66074	0.8
205.47575	0.9
367.65936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.56929	0.9
65.69784	0.9
92.13837	0.9
166.66582	1.1
184.76421	1.2
211.09497	1.1
212.35269	0.9
282.04007	1.0
294.24393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97226	7.2
59.01384	74.0
60.61398	7.6
64.22390	8.7
64.47176	7.4
64.69807	7.9
69.69826	8.5
110.85474	8.8
133.64091	9.8
191.31506	9.1
225.37315	10.7
230.62604	9.9
256.23602	13.5
268.27148	18.5
352.86871	10.2
372.32254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59689	0.5
51.49149	0.6
58.00592	0.6
70.02991	0.8
70.34374	0.6
73.02947	7.0
74.02084	0.9
74.02472	16.9
94.06586	0.6
98.02458	2.4
100.04031	2.8
100.93400	0.6
115.90757	0.6
116.03560	1.3
118.05085	11.0
119.68724	0.6
130.05104	0.8
138.57051	0.6
211.58571	0.5
215.31799	0.6
223.20673	7.7
235.20760	1.0
253.21768	9.4
354.26514	5.3
372.27597	100.0
382.57956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99529	0.5
66.45890	0.5
66.50905	0.6
78.95905	29.3
78.96368	1.0
85.72597	0.5
89.93404	0.6
96.96957	100.0
113.02438	0.9
134.03714	7.0
149.06078	13.2
152.01154	0.6
167.03448	2.0
185.64113	0.6
257.58154	0.6
259.02255	2.2
360.78088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88208	0.3
56.88463	0.3
65.06489	0.2
67.48110	0.3
69.37358	0.3
78.70905	0.3
78.95904	30.0
79.54871	0.3
87.61004	0.3
96.96957	100.0
113.02407	0.7
113.87347	0.3
134.03725	0.8
149.06108	2.2
241.01259	0.3
259.02225	3.9
281.07687	0.3
373.05563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38018	2.1
59.01389	3.2
71.01349	2.2
108.02195	3.3
121.02942	2.9
123.04515	24.8
133.03009	2.5
134.03749	3.5
137.02426	6.0
145.02992	2.4
151.00346	2.8
167.03470	3.7
187.07755	2.8
197.06003	2.9
211.06105	14.2
212.08337	2.9
213.05626	12.4
218.33626	2.2
224.04837	4.7
225.05638	19.2
230.05777	3.0
237.05714	3.1
238.06361	4.0
239.07135	27.9
240.07835	9.4
241.05066	100.0
253.05067	87.5
256.07425	90.2
259.06198	3.3
260.06790	20.3
267.06662	5.4
268.07410	55.4
269.04562	3.3
271.09793	69.7
283.09756	33.9
296.07095	2.4
297.04105	3.1
300.06189	2.6
301.10880	28.3
314.07785	2.7
315.08752	10.2
327.08768	12.0
329.10281	10.4
343.08191	32.1
355.08279	58.1
358.47116	2.4
373.09183	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58802	0.7
51.76209	0.7
59.01378	6.2
63.96241	5.5
66.47115	1.0
69.03448	17.4
71.05019	46.2
79.95728	20.2
80.96517	3.4
96.95997	4.9
115.07648	0.9
121.02923	17.8
123.04519	4.3
123.08130	1.1
125.09712	1.3
134.03734	12.6
134.16042	1.0
147.00864	3.7
147.08165	0.9
149.02771	4.6
149.09689	9.0
151.00687	1.5
164.67854	0.9
165.01947	1.1
177.09232	9.7
181.12378	1.5
183.13925	1.2
187.09778	1.9
197.11876	1.2
197.15364	1.2
211.06013	1.2
213.11380	1.4
221.08203	100.0
251.16626	1.0
263.16528	12.4
270.46402	1.1
275.19897	1.4
279.19699	2.0
293.21185	3.9
341.19626	6.8
373.09528	19.2
373.17029	21.6
373.22266	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
69.34985	0.7
71.01390	5.9
71.81544	0.8
73.02937	1.0
74.47882	0.8
74.96710	0.7
84.36249	0.7
85.02946	1.5
85.97817	0.8
92.23035	1.3
101.02449	5.6
113.02425	1.7
123.04546	5.2
137.02444	23.7
152.04797	100.0
161.04588	3.9
167.07144	85.3
196.68527	0.8
211.06148	11.5
232.67134	0.9
240.59886	0.9
258.86386	1.0
295.06110	5.8
310.08527	4.5
325.10806	3.2
373.11694	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39318	0.5
57.70406	0.5
61.87742	0.6
65.02476	0.5
71.00888	0.5
80.00891	0.5
92.22530	0.6
107.12408	0.6
123.04520	100.0
151.04059	1.4
162.64584	0.6
167.03490	0.7
195.12277	0.5
204.73756	0.5
211.06140	61.6
233.66612	0.6
258.99960	0.7
332.78403	0.6
373.11462	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83657	0.4
72.99301	10.1
75.00887	1.0
75.52646	0.5
76.16595	0.4
84.21600	0.5
86.32182	0.5
87.95605	0.5
96.39308	0.5
108.02140	1.0
122.03720	0.6
123.00884	2.0
123.04539	6.6
124.01615	0.6
133.43098	0.5
134.03746	11.6
137.02472	5.9
144.61842	0.5
149.06073	9.0
150.03214	3.8
151.04022	1.2
165.05556	14.5
167.03468	4.0
167.07147	0.8
178.02751	5.2
193.05070	32.1
211.06143	100.0
299.07660	1.0
373.11441	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64736	0.6
67.03922	0.6
108.02220	0.9
147.71010	0.8
152.01167	1.0
166.01382	1.1
166.02719	28.2
167.03488	4.6
178.02773	0.8
180.04228	1.0
181.05074	100.0
195.02974	1.2
196.03790	16.1
210.05376	1.2
211.06136	72.6
308.64499	0.8
328.44821	0.7
351.54364	0.7
352.91830	0.8
354.76065	0.8
373.11423	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29230	0.5
59.01391	0.5
72.76466	0.5
85.02937	0.8
98.67524	0.5
113.02445	100.0
131.51155	0.6
151.42033	0.6
158.33516	0.5
165.64420	0.6
168.77367	0.5
208.15749	0.5
216.12752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24878	1.8
59.01379	3.6
59.10238	1.5
69.08372	1.9
73.02944	6.7
103.10960	1.6
117.32878	1.4
121.02953	10.9
122.03759	2.5
123.04526	23.1
126.66695	1.5
128.09349	1.6
131.05016	2.6
134.03647	1.9
146.03926	1.8
149.02457	13.1
150.03209	75.7
162.03233	100.0
164.04773	8.2
165.05560	86.5
173.86263	1.8
177.05580	68.5
177.13055	1.6
180.04309	8.3
191.12961	1.6
195.06621	37.7
207.06648	8.9
211.06197	11.0
217.44469	1.9
249.05585	2.1
262.06512	2.2
278.05948	6.2
281.08212	10.2
293.08136	6.8
295.06091	3.2
310.08704	2.4
325.10800	28.6
373.13086	18.3
373.26001	7.0
397.63290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1295
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
59.01379	7.7
68.99815	8.5
74.19305	1.6
86.26236	1.6
87.00852	1.9
92.10910	1.6
104.96043	1.7
108.02164	18.8
109.02935	3.6
123.00889	8.6
123.04510	44.6
126.77233	1.6
129.05626	1.6
136.01683	3.1
139.07700	6.8
146.03735	19.9
147.06628	7.0
148.01642	2.7
150.03221	14.7
151.04002	1.9
153.05649	1.7
161.02470	9.2
161.06104	10.2
162.03249	6.0
163.04031	8.2
164.04800	16.0
177.05565	31.9
178.02699	50.2
179.03615	3.1
179.07162	26.8
181.12340	19.2
193.05052	57.7
194.05840	2.4
211.06110	18.4
249.07765	1.9
269.08167	2.5
298.08563	7.9
313.10956	18.2
325.10907	2.0
328.09613	1.9
343.11810	11.1
373.12988	100.0
381.47299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1296
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
59.01377	15.2
59.94419	2.8
69.26736	2.8
76.88651	3.2
77.19102	2.9
87.00890	3.7
93.03458	13.7
109.02898	3.3
121.02950	14.6
123.04525	7.2
125.09692	23.6
134.03728	5.1
146.03714	15.3
147.04553	7.4
149.02452	5.9
149.06075	4.4
150.03246	17.3
151.04024	16.8
159.04439	4.6
160.05327	3.9
161.06082	4.9
162.03226	5.0
164.04782	17.0
171.10362	5.8
173.04395	4.0
175.03938	4.4
175.07666	4.9
177.05556	3.9
179.03505	15.9
179.07120	18.0
179.14296	4.2
180.04311	23.5
180.70708	3.8
187.09772	33.0
194.05870	13.4
195.06630	12.9
223.13503	3.8
253.08791	3.8
255.06560	6.5
267.06686	26.0
269.08218	54.3
281.08163	25.4
283.09790	29.2
284.10519	29.8
295.09711	29.1
296.10663	8.1
299.09280	4.6
307.36038	3.3
311.09396	15.7
328.09576	14.3
329.14206	32.2
340.09570	37.3
341.10977	6.4
343.11914	100.0
355.11902	89.3
373.13022	72.5
373.18668	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.0
71.01382	4.9
73.02930	1.2
89.02447	1.3
93.10751	1.0
101.02441	2.6
113.02425	1.9
192.50020	1.2
218.04471	1.2
225.08032	1.3
230.04694	1.3
250.07239	6.3
251.08275	5.4
252.06807	8.1
252.09082	2.0
253.09871	9.2
264.05576	1.2
269.09323	1.7
270.07538	1.5
279.07892	7.5
283.10684	2.0
284.09299	18.9
293.09424	4.1
293.81085	1.3
297.08887	2.1
311.10406	65.9
323.10291	7.8
327.70462	1.3
341.11432	4.8
343.13016	44.7
355.13129	2.2
373.14120	100.0
373.18286	4.2
386.70547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61407	1.1
59.01385	30.5
61.58004	1.1
69.10030	0.9
71.01382	14.5
73.02966	0.9
83.38419	0.9
85.02951	2.6
89.02445	15.3
101.02470	7.8
113.02449	5.8
116.15404	1.0
119.03485	4.8
138.23296	1.1
163.30313	1.4
193.12358	1.3
234.08006	2.0
235.08905	1.4
251.08244	6.0
252.06760	4.1
252.09151	7.6
252.90874	1.4
253.07518	1.1
253.09915	9.5
279.07874	8.4
283.10904	2.1
284.09219	9.6
293.09442	5.6
296.07986	1.6
297.08807	1.3
311.10434	80.1
315.09601	1.1
323.10281	8.5
341.11459	7.7
343.13028	26.2
373.14059	100.0
373.18719	29.3
393.09760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1689
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
51.88578	0.5
53.47310	0.5
59.01375	0.9
59.22464	0.5
59.41360	0.5
61.34371	0.5
62.09811	0.5
63.75384	0.5
74.88203	0.6
78.95889	0.6
79.95267	0.8
79.95731	25.0
79.96185	1.2
82.48255	0.5
96.95999	100.0
132.66878	0.6
183.10278	0.8
197.91176	0.8
211.13412	0.6
223.16972	3.3
227.26717	0.6
230.23984	0.7
261.72754	0.6
272.47052	0.6
274.97931	0.6
275.20163	0.7
293.21204	2.6
373.16898	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1694
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
53.91314	0.9
58.99387	0.8
59.01371	5.2
59.06256	0.8
59.75115	0.8
63.96243	51.7
64.97025	1.3
73.42120	0.9
75.83414	1.0
79.95737	82.2
80.96513	34.3
82.18169	1.0
84.96455	0.9
87.04520	1.1
96.96005	4.4
106.06585	2.1
110.29298	1.1
114.40186	1.0
114.88380	1.0
119.98844	4.6
123.04517	3.8
125.09663	1.5
137.09709	1.5
138.16539	1.2
138.21449	1.0
171.10336	7.5
173.06422	4.3
176.04883	1.6
183.13927	9.3
189.05930	25.2
195.13931	1.9
201.11301	9.6
211.06085	3.9
223.16995	7.1
231.83336	1.1
235.17029	1.7
245.08397	1.2
253.13530	1.9
275.20102	6.2
281.04568	3.9
291.19565	4.6
293.21268	11.2
355.15747	7.0
373.16882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1693
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
55.24102	0.9
56.79088	0.9
59.01385	18.5
63.96241	26.5
64.97027	2.4
66.98552	0.9
67.75856	1.2
79.95738	70.4
80.96517	50.0
87.04530	2.0
96.96008	5.8
99.26428	1.0
119.98842	4.7
151.00705	1.6
156.99655	1.1
161.96550	1.2
184.15778	1.1
188.27779	1.0
195.13907	1.6
217.41466	1.1
221.15460	2.5
223.17049	25.0
233.15439	1.3
235.17053	6.8
251.16545	6.5
275.20242	6.4
285.37558	1.2
291.19669	5.1
293.21222	6.3
303.12714	2.6
309.20694	5.7
347.67291	1.5
355.15829	15.4
373.16910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93806	1.5
59.01386	15.7
63.86173	1.4
63.96241	56.3
69.09910	1.4
75.00858	3.8
79.95734	81.9
80.96518	45.1
88.09893	1.5
94.75887	1.7
96.13050	1.5
96.96011	1.7
103.80472	1.5
111.45165	1.5
119.27100	1.5
119.98842	7.8
137.09717	3.5
156.37558	1.5
169.53365	1.7
171.10281	8.6
173.06406	10.0
189.04272	3.2
189.05919	73.5
201.11295	11.4
275.20251	2.3
315.19693	1.6
334.67566	1.7
355.15933	11.2
367.93341	1.7
373.16882	100.0
398.79697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67730	1.0
54.70041	1.4
60.86588	1.1
63.96241	44.9
64.97021	1.6
79.95267	2.8
79.95736	85.9
80.96512	27.2
87.04515	1.7
96.96004	4.9
119.98824	2.9
149.02774	20.6
179.68080	1.3
183.13849	1.7
195.50597	1.1
223.17000	15.9
227.60289	1.2
235.17078	7.8
241.14211	1.3
251.16461	2.0
263.16446	1.8
275.20050	10.4
291.19855	1.3
293.21259	13.6
355.15906	5.6
373.16919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90797	1.3
59.01368	8.4
63.96244	50.7
69.65331	1.1
79.95742	98.0
80.96513	17.1
96.95989	3.3
123.04493	5.9
128.50534	1.5
131.07079	2.3
132.99698	1.5
137.09814	2.4
139.11292	2.0
140.09479	1.4
141.61993	1.6
149.02780	6.8
171.10236	3.1
183.10147	2.0
183.13922	14.4
186.66248	1.7
187.15158	1.4
188.08519	2.4
189.05914	9.9
195.13885	2.5
197.11917	1.9
201.11275	7.6
211.06125	2.1
219.17586	1.7
223.17015	2.8
257.15570	2.1
263.16599	3.5
275.20190	3.0
279.19611	1.5
293.21222	18.9
329.14041	2.6
341.19690	6.2
355.15982	3.0
373.12531	4.3
373.16916	100.0
373.21719	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	3.0
58.37391	2.3
59.01381	30.9
69.03453	6.2
69.91046	2.6
71.01378	6.6
71.05007	3.6
72.65553	3.2
73.02942	45.6
81.03455	4.3
83.01407	3.4
83.05035	6.1
85.02936	13.3
85.06589	3.2
95.05032	2.6
97.02948	2.7
97.06618	5.5
98.67169	2.8
99.04527	2.8
101.02460	3.8
109.02940	45.4
109.06565	4.0
110.03732	4.2
113.02449	14.6
113.06091	4.5
120.83662	3.0
123.04496	3.6
125.09727	46.5
129.05585	12.2
139.07693	6.8
171.10266	61.7
175.14929	6.1
185.11864	4.6
187.09776	60.9
191.40814	2.9
195.13870	3.8
197.11806	5.6
199.13443	17.2
201.07683	5.0
201.11299	14.6
209.11858	2.9
211.13507	4.9
213.11388	6.7
219.13889	18.4
221.11816	4.2
223.13397	16.8
225.11417	3.2
237.15018	32.6
239.12891	6.4
242.03835	3.2
243.12375	5.4
245.11841	12.3
250.21768	3.3
253.09938	4.9
255.16060	30.0
263.12912	80.5
263.15460	3.3
272.73889	3.2
293.17673	6.1
297.08881	3.4
299.15027	100.0
311.18719	5.0
346.23575	3.0
373.10419	17.5
373.18591	99.6
373.22559	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50307	0.8
56.22717	1.0
87.66739	0.9
92.05054	55.1
122.14657	1.1
136.04045	42.5
144.10266	1.3
195.20976	1.1
219.15041	100.0
236.16533	1.6
246.16469	1.3
267.86359	1.3
351.82846	1.3
373.21356	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50307	0.8
56.22717	1.0
87.66739	0.9
92.05054	55.1
122.14657	1.1
136.04045	42.5
144.10266	1.3
195.20976	1.1
219.15041	100.0
236.16533	1.6
246.16469	1.3
267.86359	1.3
351.82846	1.3
373.21356	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85669	0.9
59.01380	78.7
60.01709	9.7
61.01800	1.3
61.98833	100.0
63.46522	0.9
70.78806	0.9
89.60915	1.1
104.65302	1.2
109.25201	1.1
110.07503	1.1
123.04518	7.7
126.97777	1.3
136.52821	1.2
153.69244	1.3
155.26712	1.1
155.81288	1.2
211.06129	4.1
214.30470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	63.6
66.05486	3.9
108.02184	16.9
123.04508	32.3
167.03506	6.1
176.08452	18.3
184.13776	5.2
192.11450	5.8
225.00961	4.3
236.10480	7.2
244.14691	7.5
268.74420	4.2
304.16907	9.3
313.21765	21.0
329.24930	7.7
373.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78453	2.1
58.24610	1.7
58.28543	1.9
59.01382	68.6
60.41533	1.8
62.37504	1.8
85.83310	2.0
95.43661	2.2
108.02164	17.2
121.02890	2.1
122.03712	5.0
123.04515	42.2
137.05849	2.1
167.03494	3.1
176.08432	14.9
184.72029	2.2
191.10793	2.7
192.11505	4.1
236.10530	9.8
244.14723	23.8
260.17850	8.7
304.16837	13.4
313.21735	10.7
329.24976	17.4
353.83527	2.5
373.23892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2496
Annotation	Mycaleoxime
Peak:m/z	Relative Intensity
55.52350	0.8
58.02976	5.7
71.02497	5.3
74.73857	0.7
84.79325	0.8
95.02461	0.9
96.00903	56.6
97.01609	0.9
98.01239	0.9
113.03548	9.9
126.59895	0.8
126.61119	0.9
186.46753	1.0
271.38248	0.9
276.23514	1.4
302.24915	4.7
331.23856	1.5
373.24979	100.0
386.51007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78071	0.6
51.17167	0.6
58.02981	7.5
58.85186	0.7
65.07775	0.6
71.02502	6.4
84.08530	0.6
95.85583	0.7
96.00906	57.1
113.03563	15.8
140.53635	0.9
146.50124	0.7
219.18309	0.7
276.23410	1.1
287.06851	0.7
302.24838	8.2
330.24277	1.2
373.24991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21760	0.4
52.82445	0.3
57.40668	0.3
59.01375	0.6
61.25581	0.4
66.91861	0.4
72.99296	0.4
75.00873	4.1
77.89548	0.3
77.90336	0.4
87.00846	0.6
90.76591	0.4
92.22993	0.6
97.23543	0.4
99.73498	0.4
108.89456	0.4
117.01928	2.7
124.37771	0.4
135.02975	0.5
161.29660	0.4
207.52132	0.4
255.23322	100.0
277.21780	1.7
294.12219	0.4
351.62451	0.4
373.25882	13.2
373.29828	4.6
381.75116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.87125	1.0
56.41570	0.9
59.01381	72.1
61.93027	1.2
66.35306	1.1
71.05009	1.2
75.61640	1.1
79.95739	7.2
80.96515	1.2
85.06596	1.7
95.31631	1.1
96.20198	1.0
97.06567	2.5
101.62222	1.2
123.08139	6.7
128.53139	1.1
137.09824	1.4
141.09187	2.2
141.12914	2.4
152.08437	1.3
163.11205	1.5
164.08893	1.1
171.13899	11.1
200.14362	1.5
205.15900	2.3
263.16449	4.5
277.21741	15.7
293.21231	1.4
295.22830	1.2
341.19824	4.7
347.11414	1.4
373.16907	5.8
373.25998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50010	0.9
59.01383	60.5
63.96236	21.7
69.03468	1.6
69.92225	1.0
71.05017	5.9
79.95738	61.9
80.96513	11.0
96.96008	2.6
97.06588	1.3
109.06633	1.1
123.08173	8.3
129.61186	1.1
133.03275	1.3
134.03760	1.6
137.09711	1.3
141.12868	2.0
149.02777	19.4
149.09659	1.2
151.11316	1.7
152.08345	1.2
171.13934	9.8
178.58351	1.2
183.13863	4.3
187.09845	1.4
209.15584	1.1
221.08121	10.6
223.13474	1.1
223.17032	1.9
235.17050	2.0
241.14462	1.3
243.64966	1.1
253.03226	1.2
263.16495	12.3
275.20169	5.2
277.21744	15.3
279.19543	2.3
291.19647	1.3
293.21213	9.5
295.22711	1.7
313.24103	1.4
341.19690	6.4
355.15659	1.4
373.16922	67.4
373.22717	5.0
373.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68240	0.5
60.13939	0.5
75.00873	3.5
78.37762	0.6
119.55206	0.6
137.34117	0.6
255.23308	100.0
257.28140	0.6
373.25797	11.5
373.29819	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
56.02185	1.6
59.01107	1.9
59.01381	49.2
63.96234	5.9
66.29796	1.4
79.94016	1.4
79.95731	26.6
80.96521	3.2
85.54474	1.5
86.40030	1.6
90.06115	1.6
97.06567	1.7
123.08159	9.7
125.09701	7.0
127.11348	2.0
141.09206	2.7
171.10335	1.8
171.13872	3.4
183.13930	4.3
187.09752	16.0
275.20139	2.0
277.21768	11.4
293.21393	3.2
373.16809	23.6
373.25986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.4
58.00599	0.8
59.01379	2.4
60.00412	0.5
60.63422	0.4
62.03928	0.4
62.85723	0.4
70.02982	1.9
72.00901	0.5
73.02943	7.9
74.02469	18.5
75.02809	1.9
84.04533	0.6
94.08117	0.5
95.93509	0.5
96.95997	4.8
98.02512	1.6
100.04056	2.0
116.03520	0.9
117.03823	0.5
118.05096	12.2
119.05447	3.2
119.60038	0.6
130.05159	0.7
223.20662	1.9
224.21016	7.5
226.22603	0.7
236.21004	1.2
253.21747	1.2
254.22093	7.2
263.14465	0.5
265.12793	0.5
273.41125	0.5
285.82370	0.5
294.47995	0.6
355.26996	6.0
373.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.9906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	96.0
81.12040	12.8
89.23810	11.8
201.02574	100.0
224.52788	13.7
231.97899	21.4
234.54396	13.5
275.78955	13.4
293.94424	14.6
373.89319	18.2
399.56372	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78303	1.8
59.01374	9.2
59.92317	2.0
62.09266	1.6
96.08172	10.2
103.04028	3.1
121.10252	4.3
123.11810	3.1
133.05089	23.2
140.23474	2.2
141.54901	2.1
149.02406	2.1
149.09763	4.0
152.10803	17.6
167.10782	100.0
172.20175	2.2
196.09801	9.5
207.10190	3.3
208.10643	4.9
211.09756	23.7
212.03554	2.7
225.11325	8.9
226.11635	16.3
239.16330	2.9
243.12378	4.6
244.12740	21.6
248.53148	2.5
258.09976	18.3
283.15662	4.9
327.14542	15.1
374.14764	31.7
374.19144	11.6
374.26303	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39490	3.5
52.85912	3.4
53.00337	3.0
59.01376	7.2
80.96494	4.7
81.10616	3.8
96.08179	14.0
100.80528	3.7
103.04040	3.2
123.11684	3.6
133.05064	22.9
152.10863	11.6
155.99217	3.8
167.10779	100.0
182.12752	4.0
196.09804	19.2
197.11737	4.3
211.09801	20.3
225.11421	4.9
226.11624	15.2
236.27657	3.6
243.12315	6.1
244.12717	25.0
258.09958	11.7
327.14459	28.8
374.14532	14.8
374.18924	14.3
374.26395	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1723
Annotation	(4-{4-[2-(gamma-L-Glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine
Peak:m/z	Relative Intensity
67.39005	1.2
72.00904	2.0
82.02975	2.1
112.04026	1.5
127.05115	15.5
141.67563	1.3
143.16110	1.2
147.04498	13.5
147.44792	1.4
164.07173	39.0
165.05357	2.3
165.10359	2.5
166.08710	8.7
168.29187	1.2
181.09967	1.9
208.10927	48.1
209.09335	9.8
219.15065	2.1
226.11989	6.1
238.98184	1.3
239.52754	1.4
330.18182	5.6
364.62973	1.3
374.17249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
61.98833	100.0
62.49829	1.3
72.84361	1.4
108.37219	1.4
154.79718	1.8
156.93684	1.5
165.97003	1.6
189.56348	1.3
229.03990	1.5
305.43353	1.5
374.19672	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27387	19.4
61.68362	17.0
92.22847	32.4
121.32159	18.9
158.37314	20.9
187.60640	18.2
200.50146	19.6
229.08878	19.8
275.92328	19.2
317.16461	21.8
374.18195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18306	6.5
59.01376	8.3
59.03253	7.3
71.01380	11.0
80.06769	7.5
97.77430	7.3
113.02422	10.0
178.74226	9.1
240.03276	9.2
281.58676	8.5
295.41937	8.3
320.38034	9.7
331.17572	13.1
374.18304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68105	1.1
52.50264	1.1
53.91204	1.1
59.01383	100.0
61.98830	10.2
62.62832	1.1
74.02428	1.4
78.05080	1.1
79.35652	1.2
87.80695	1.4
97.06571	1.5
101.00848	1.5
108.48844	1.4
114.09221	3.3
115.07651	5.7
125.09695	6.4
141.09253	1.6
165.09256	1.6
168.10275	2.4
171.10327	5.2
172.09779	7.5
185.11794	3.2
197.11833	17.7
201.11337	24.9
208.09695	2.0
227.12944	12.8
314.26849	2.2
327.21692	5.5
374.21939	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05692	3.0
57.03440	3.7
59.01381	59.0
61.58752	3.5
61.98835	66.0
125.09740	19.9
130.95157	4.0
132.72681	3.6
146.99719	3.8
166.08768	4.9
168.10277	19.7
171.10304	4.2
173.47725	3.6
185.11795	7.9
197.11818	65.8
199.13434	6.4
227.12961	38.5
263.52118	4.3
327.21689	18.8
355.97498	4.3
374.21838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10787	1.5
53.45982	1.5
55.90461	1.8
59.01392	4.3
68.07372	1.7
69.65871	1.4
70.24698	1.6
73.82796	1.7
84.04556	10.1
98.06110	1.7
125.09726	4.2
129.09224	2.3
140.34303	1.9
142.08728	9.0
168.10292	12.7
169.08691	2.5
170.11870	7.4
171.10260	12.6
178.08699	2.5
186.11366	7.6
189.71724	1.9
196.09799	9.3
212.03427	2.9
214.10863	100.0
214.12915	3.4
265.97162	1.8
307.45383	2.2
366.13440	2.0
374.17850	2.8
374.22006	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88909	1.2
56.86682	1.2
57.15753	1.2
59.01388	2.2
60.45981	1.6
61.56845	1.4
66.71503	1.2
67.26762	1.9
70.02969	1.6
84.04558	12.2
84.61639	1.8
86.79060	1.4
87.09426	1.3
98.06103	2.6
98.24250	1.7
109.06584	1.3
109.95148	1.4
111.04523	1.6
141.09250	1.8
152.10754	1.7
165.64632	1.7
168.10330	19.6
170.11876	11.1
178.08824	7.2
180.23782	1.6
196.09814	11.3
212.03497	6.0
214.10872	100.0
300.83405	1.6
374.17325	3.2
374.21933	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2703
Annotation	NAla
Peak:m/z	Relative Intensity
53.66657	0.6
77.67882	0.6
79.66840	0.7
83.52176	0.8
88.35178	0.7
105.57926	0.9
111.39476	0.6
111.79296	0.7
114.05598	100.0
181.15590	0.7
191.87622	0.7
202.84784	0.7
253.53279	0.8
374.27042	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15660	3.6
57.89684	3.6
59.01392	61.2
59.11763	3.8
74.02480	29.4
97.34751	4.3
118.05067	6.0
120.21146	4.9
190.28369	5.0
212.03465	18.8
242.08389	5.7
255.23270	9.4
267.23926	5.1
374.29147	100.0
383.53140	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.9
56.97338	0.7
64.35225	0.7
69.20353	0.7
74.02470	16.9
83.80286	0.8
98.02461	1.2
100.04041	1.0
112.12907	0.8
116.03506	1.2
118.05099	13.3
130.05032	1.1
134.29472	0.6
135.58505	0.7
137.07819	0.6
169.90225	0.7
174.99391	0.7
189.78661	0.7
225.22232	10.8
229.74489	0.8
248.23946	1.0
253.21693	4.4
255.23274	17.0
267.23224	1.5
356.28168	5.6
374.29156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98829	1.0
69.55507	0.6
72.61534	0.6
79.30836	0.6
79.97482	0.6
87.66418	0.6
92.23012	0.7
95.35321	0.6
104.46017	0.6
197.11929	3.0
227.05956	0.7
234.18315	0.6
314.27136	5.2
374.21997	1.4
378.35022	0.7
391.08600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	1.4
66.55509	0.7
68.31107	0.8
69.75967	0.7
94.77206	0.8
95.37400	0.8
119.01063	0.8
140.47751	0.9
161.32796	0.8
180.40283	0.8
184.65242	0.8
185.15398	0.8
187.09772	0.9
207.73029	0.9
212.03532	3.6
302.13922	1.0
314.27014	4.7
374.21878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75650	0.6
54.29626	0.5
59.01382	100.0
65.76060	0.5
73.57291	0.6
75.08955	0.5
76.95248	0.6
99.78391	0.6
112.45708	0.5
130.93835	0.7
150.95917	0.6
177.30743	0.6
232.26691	0.6
264.19843	0.6
312.25586	0.7
314.27139	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.03856	0.6
60.06548	0.6
79.95725	2.6
307.72189	0.8
314.27133	3.5
374.17218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74824	0.7
59.01381	100.0
61.98828	1.0
79.18266	0.7
80.57734	0.8
85.49319	0.7
113.25145	0.8
145.42300	0.7
154.50609	0.7
172.75577	0.9
257.61325	0.7
298.93451	0.9
314.27005	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00285	0.6
55.89289	0.6
59.01383	100.0
60.59477	0.6
61.55915	0.6
61.98828	1.7
77.12887	0.6
83.58217	0.7
96.96004	1.4
103.53612	0.7
117.25383	0.8
138.95500	0.7
158.32216	0.8
171.10237	1.3
172.09789	0.9
177.19571	0.8
185.69160	0.7
201.11296	5.0
211.99718	0.8
222.77765	0.7
223.38095	0.7
314.27060	9.4
320.66812	0.7
374.21780	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	69.4
61.98821	0.5
88.50717	0.4
108.95162	0.4
110.29700	0.5
121.37178	0.5
122.23237	0.4
132.98227	0.8
156.99889	3.9
157.03654	0.6
171.97226	0.5
174.99246	48.2
201.02591	7.4
202.16237	0.4
217.00313	100.0
218.74684	0.5
232.97554	0.6
314.98892	0.8
335.59512	0.5
374.99252	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.07
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01381	15.6
71.01380	12.5
71.21185	0.4
72.99311	1.2
78.95901	29.7
83.01386	0.7
85.02940	2.2
87.00873	0.8
89.02444	12.8
89.94727	0.5
92.87709	0.5
96.96954	100.0
97.04076	0.7
100.00429	1.0
101.02432	6.0
101.78270	0.5
113.02459	4.6
114.01978	1.0
115.67551	0.6
117.03456	0.8
118.31825	0.5
119.03493	5.4
123.04501	0.7
124.04079	0.7
126.05684	0.5
131.03442	0.7
134.94841	0.5
137.02441	0.7
139.04016	0.9
145.02966	9.7
146.03732	2.3
147.04504	2.8
149.02452	0.6
150.03189	0.9
151.03978	3.4
156.61086	0.5
158.02821	0.8
161.02422	5.0
161.04552	1.1
162.03233	12.9
164.04738	1.0
165.05579	4.6
165.06766	0.7
169.05008	0.7
177.05576	4.5
179.05583	5.1
180.04282	2.7
194.02234	0.8
195.03018	2.0
195.06592	4.8
200.07161	5.1
212.03267	2.3
213.04097	5.2
242.26750	0.5
259.03833	3.7
274.45270	0.5
307.67206	0.5
357.11963	5.2
375.09241	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
71.01393	1.4
71.19653	0.6
72.99323	4.8
78.95909	27.3
87.00899	0.7
89.02441	4.5
96.96958	100.0
101.02457	1.5
105.62940	0.6
113.02431	0.9
123.04516	0.9
137.02402	5.2
139.04027	1.1
150.03220	1.0
151.04012	19.0
152.44731	0.7
162.03160	2.7
165.05566	1.4
167.03484	3.5
168.37300	0.6
169.05057	1.3
195.02975	3.9
202.00931	0.7
210.25282	0.7
213.04077	16.3
226.56801	0.7
277.09235	1.4
375.09387	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0937
Annotation	capsazepine
Peak:m/z	Relative Intensity
53.30639	0.9
59.01383	1.2
72.99307	10.4
77.70613	0.8
90.50798	0.8
102.56857	1.0
109.76105	1.3
119.19999	0.9
123.04472	1.7
125.02431	1.5
135.38744	1.0
136.01720	1.2
139.04024	5.2
150.03264	1.0
151.04002	47.3
158.89005	1.0
167.03505	17.7
169.05084	9.2
189.05400	0.9
194.47003	1.0
195.03004	23.8
212.03247	1.4
213.04059	86.6
267.06729	4.5
279.06601	1.1
282.09021	9.2
297.11411	11.2
312.10184	1.5
327.12405	2.1
345.13409	1.6
375.09378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04210	0.3
54.78298	0.3
59.01383	7.6
67.01881	2.6
71.01377	3.0
72.99294	0.4
73.02930	0.5
75.00848	2.7
83.01382	0.3
85.02946	5.3
89.02427	2.1
99.00880	0.4
101.02465	2.4
111.00874	100.0
113.02428	1.8
115.03991	0.6
131.04663	0.4
161.04561	1.3
191.07124	0.5
202.08601	0.4
218.84077	0.3
263.11447	2.3
282.08856	0.3
336.44229	0.4
374.71854	0.3
375.13004	1.7
375.16702	1.9
375.20453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53658	0.7
53.82213	0.6
59.01381	4.2
67.01894	4.8
71.01360	1.3
71.32733	0.9
79.34902	0.8
88.14642	0.7
89.02412	1.3
101.02446	3.0
105.26358	0.8
111.00878	100.0
113.65020	0.8
114.01928	0.9
118.23432	0.9
153.01917	0.9
175.05269	0.9
195.10373	1.1
226.91454	1.0
232.28108	0.8
375.08908	1.5
375.13144	1.5
375.16922	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.14997	1.1
67.83739	1.1
72.99310	39.1
80.61886	1.2
89.02452	5.6
90.83228	1.3
107.04991	1.3
121.02895	1.9
138.03227	7.0
139.04015	29.4
140.20451	1.3
144.65793	1.5
150.53043	1.6
151.04041	16.5
153.05569	92.1
161.04539	3.2
165.01913	6.6
171.29228	1.3
183.03093	2.3
191.05676	2.5
191.83592	1.3
195.03006	27.8
213.04076	37.1
243.68542	1.4
279.79428	1.4
301.09323	6.3
315.10928	2.2
336.40085	1.3
375.09314	55.0
375.13788	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.4
59.01384	51.6
71.01371	29.2
72.99291	5.8
78.95901	23.4
85.02953	7.1
89.02442	42.0
96.96958	100.0
96.97595	3.2
99.99546	1.5
100.85704	1.5
101.02458	15.3
113.02448	13.7
117.03456	3.3
119.03483	12.1
131.03500	1.6
137.02446	2.1
139.04036	1.7
143.03514	2.6
145.02959	26.1
146.03745	6.5
147.04512	7.7
149.06111	1.9
150.03169	2.2
151.04008	16.5
158.31026	1.6
161.02444	17.0
161.04507	2.1
162.03204	37.0
165.05547	14.2
167.03450	1.7
177.05562	14.5
179.05580	18.9
180.04358	3.7
195.02969	3.0
195.06648	15.6
213.04050	9.4
240.81517	1.7
357.12012	20.7
375.09637	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55917	0.6
58.00589	1.1
59.01382	100.0
71.01378	31.6
71.01772	1.2
71.05008	1.6
72.99304	0.9
73.02918	1.3
77.60752	0.7
82.55644	0.7
83.01374	1.7
85.02937	10.7
87.00866	1.2
89.02438	39.4
95.01372	1.2
95.05032	0.8
97.02942	27.0
99.04509	1.1
101.02438	28.9
108.60745	0.8
113.02432	15.4
113.06054	1.4
115.04002	70.4
117.31756	0.6
117.85943	0.7
119.03488	18.9
121.02940	0.8
143.03488	0.7
149.02449	9.1
150.03244	7.3
159.03029	0.9
161.04523	3.5
164.04768	3.3
165.05563	8.5
179.05676	5.7
179.06985	1.4
179.66151	0.8
195.06621	4.8
228.56018	0.8
277.09296	33.4
312.10016	5.5
327.12393	12.9
363.44730	0.8
375.12997	34.1
398.31833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
63.12592	0.2
67.01891	4.0
71.01376	1.9
73.02968	0.4
85.02956	1.4
86.53595	0.2
89.02444	1.4
89.63445	0.3
101.02431	2.7
111.00879	100.0
113.02473	1.1
119.03489	0.3
161.04536	0.5
178.83894	0.2
193.64223	0.2
263.11325	1.7
287.16666	0.4
335.00549	0.3
375.14529	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55917	0.6
58.00589	1.1
59.01382	100.0
71.01378	31.6
71.01772	1.2
71.05008	1.6
72.99304	0.9
73.02918	1.3
77.60752	0.7
82.55644	0.7
83.01374	1.7
85.02937	10.7
87.00866	1.2
89.02438	39.4
95.01372	1.2
95.05032	0.8
97.02942	27.0
99.04509	1.1
101.02438	28.9
108.60745	0.8
113.02432	15.4
113.06054	1.4
115.04002	70.4
117.31756	0.6
117.85943	0.7
119.03488	18.9
121.02940	0.8
143.03488	0.7
149.02449	9.1
150.03244	7.3
159.03029	0.9
161.04523	3.5
164.04768	3.3
165.05563	8.5
179.05676	5.7
179.06985	1.4
179.66151	0.8
195.06621	4.8
228.56018	0.8
277.09296	33.4
312.10016	5.5
327.12393	12.9
363.44730	0.8
375.12997	34.1
398.31833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.68056	11.0
53.48021	11.2
56.07241	10.3
59.01376	100.0
59.68804	11.2
64.58324	10.9
70.90926	11.3
71.01367	57.1
72.99294	24.2
89.02432	22.6
101.02453	13.7
139.04025	60.1
145.02913	12.7
151.03973	18.9
152.04839	12.3
162.03258	25.9
167.07118	24.6
195.02988	22.3
213.04095	30.0
298.74744	15.0
308.76892	12.5
357.11908	16.7
375.09351	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.87811	1.6
53.02194	1.7
59.01384	100.0
71.01377	37.2
85.02953	9.0
89.02434	47.9
97.02938	25.0
100.32870	1.9
101.02450	26.8
113.02442	10.4
115.04004	53.7
119.03495	25.1
143.03587	2.5
147.78108	2.2
179.05600	4.8
222.63766	2.1
277.09314	35.3
375.13074	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01381	79.5
60.21497	0.5
60.44971	0.6
71.01379	36.3
73.02949	0.8
83.01392	1.4
85.02953	5.8
87.00880	0.8
89.02438	68.9
95.01391	1.5
96.97459	0.7
97.02932	15.4
99.75014	0.6
101.01778	1.2
101.02443	34.5
113.02438	22.5
115.03996	1.3
119.03494	24.3
119.04344	0.8
131.03496	1.4
143.03511	2.7
143.04761	0.6
161.04543	1.5
179.05629	3.6
257.31161	0.6
277.09302	100.0
375.12958	23.6
375.16937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.8
59.01382	100.0
66.14890	0.9
66.29276	0.6
71.01373	28.5
83.01379	1.7
85.02940	8.6
89.02439	42.7
97.02945	26.9
101.02432	30.1
101.03079	1.4
105.03477	0.7
113.02441	12.7
115.04001	51.5
119.03481	25.3
143.03407	1.0
157.05096	1.0
161.04573	3.1
179.05627	7.4
277.09296	33.8
375.12967	36.9
375.57547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55917	0.6
58.00589	1.1
59.01382	100.0
71.01378	31.6
71.01772	1.2
71.05008	1.6
72.99304	0.9
73.02918	1.3
77.60752	0.7
82.55644	0.7
83.01374	1.7
85.02937	10.7
87.00866	1.2
89.02438	39.4
95.01372	1.2
95.05032	0.8
97.02942	27.0
99.04509	1.1
101.02438	28.9
108.60745	0.8
113.02432	15.4
113.06054	1.4
115.04002	70.4
117.31756	0.6
117.85943	0.7
119.03488	18.9
121.02940	0.8
143.03488	0.7
149.02449	9.1
150.03244	7.3
159.03029	0.9
161.04523	3.5
164.04768	3.3
165.05563	8.5
179.05676	5.7
179.06985	1.4
179.66151	0.8
195.06621	4.8
228.56018	0.8
277.09296	33.4
312.10016	5.5
327.12393	12.9
363.44730	0.8
375.12997	34.1
398.31833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	(+)-Neoolivil
Peak:m/z	Relative Intensity
56.23458	3.3
57.21485	3.5
60.11322	3.3
69.88139	3.8
73.40514	3.7
75.52966	3.5
76.12371	3.9
77.59263	3.7
82.75384	3.6
83.10633	3.5
95.72438	3.9
111.50496	3.5
114.80192	4.1
122.03738	37.9
146.03729	15.9
149.02429	69.2
150.03201	49.5
164.04832	43.1
165.05548	71.3
179.07159	36.0
180.04330	6.7
180.17552	4.3
195.06635	51.2
232.02519	4.4
312.10098	45.8
327.12405	100.0
336.06888	4.0
375.08078	4.3
375.14459	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	(+)-Neoolivil
Peak:m/z	Relative Intensity
58.77073	2.6
59.01370	2.7
65.58574	2.3
74.31640	2.4
76.74041	2.4
108.42218	2.9
121.02916	10.7
122.03749	56.6
128.31316	2.6
146.03745	14.9
149.02455	81.4
150.03224	71.7
161.06116	5.5
164.04799	53.3
165.05573	99.7
179.07135	52.0
180.04276	16.2
191.07198	9.8
195.06659	52.4
203.05928	11.9
207.06624	5.0
235.08546	12.8
264.63791	2.9
267.07520	4.9
283.09772	5.1
285.07635	4.0
312.10156	50.9
327.12421	100.0
345.14236	4.9
357.14572	14.6
375.14938	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17353	3.9
62.71199	3.3
73.09276	3.7
73.73886	3.2
74.79175	4.4
105.39479	4.0
121.02886	4.7
149.02437	72.2
150.03217	39.6
160.81212	3.9
164.04782	28.0
165.05544	65.3
179.07159	6.7
195.06656	27.6
215.83408	5.4
312.10089	42.9
327.12418	100.0
348.70178	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
58.01773	0.7
59.01372	2.0
68.99808	5.6
71.01359	0.9
73.24411	0.7
77.96614	1.0
94.21817	0.8
101.02446	1.2
108.02148	14.4
109.02929	1.6
111.00900	0.9
121.02937	1.6
123.00880	7.5
123.04552	15.5
132.02188	1.7
138.03215	5.3
147.04507	1.6
148.01674	1.0
149.02429	1.7
150.03223	15.7
153.05589	1.1
159.13663	1.1
161.02403	8.8
162.03215	4.4
163.03999	8.0
164.04782	2.1
165.01976	1.3
165.05588	2.1
166.06326	11.4
177.05554	30.8
178.02702	41.9
179.03490	7.2
180.04265	1.7
181.08693	9.3
193.05058	38.7
193.06808	1.5
194.05809	2.2
212.03491	2.2
213.03864	4.6
228.06332	1.4
240.02718	0.9
243.08559	1.6
283.84537	0.9
330.11258	1.5
341.37668	1.0
345.13416	5.8
375.14517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25432	1.4
76.45549	1.2
110.06101	2.2
122.06107	15.7
127.21374	1.4
144.04515	20.5
145.05330	3.1
148.07654	2.8
176.07176	3.3
183.68687	1.4
188.03519	8.8
190.05070	2.0
191.63387	1.5
203.05907	85.4
204.06682	21.1
207.44968	1.6
220.06119	11.3
220.71428	1.5
234.07672	2.6
235.08504	88.7
250.07031	1.6
267.07489	37.8
313.12009	8.6
322.08328	1.9
325.11969	12.7
345.14590	24.0
357.14612	100.0
375.15683	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
68.99815	1.2
81.70328	0.5
83.94005	0.5
92.05016	0.5
100.73206	0.5
106.06643	0.6
106.93149	0.6
108.02176	3.9
111.00867	0.5
113.18665	0.6
116.05129	0.8
123.00871	2.1
123.04498	4.9
124.07674	2.6
125.85686	0.5
126.48033	0.5
132.04549	2.9
134.06166	0.8
136.07706	2.3
138.03250	2.4
147.04518	0.6
149.02466	0.9
150.03198	4.3
153.00549	0.6
153.05605	0.6
160.04037	100.0
161.02473	2.8
161.04790	2.1
162.03232	1.1
163.04030	2.5
164.04813	0.8
166.06348	2.8
169.12398	4.1
171.10243	0.8
176.03534	12.6
177.05595	8.9
178.02737	12.1
179.00716	0.5
179.03453	2.4
181.08699	2.4
188.03543	2.5
188.94603	0.5
192.06653	0.8
193.05080	11.6
194.05873	0.8
204.03038	12.0
213.11365	2.1
218.04625	2.1
219.05380	56.1
220.06157	3.4
222.04036	2.2
233.03304	4.7
234.07678	0.9
240.17847	0.5
247.82823	0.6
250.03641	1.1
250.07268	1.2
251.04366	19.4
251.07988	6.7
257.04572	0.7
272.06973	1.2
283.07025	2.7
285.12558	0.7
331.08316	1.2
343.13031	49.8
345.13327	0.8
375.15311	63.5
385.56244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73905	0.7
69.08138	0.8
70.39781	0.8
104.33720	0.9
116.05025	1.9
124.07664	3.1
127.08823	0.9
132.04556	4.3
151.11301	1.5
160.04037	100.0
161.04868	1.2
169.12311	1.0
176.03539	12.0
178.02693	1.2
181.14883	1.0
181.49478	0.8
184.72054	1.0
188.03601	0.9
193.05029	1.1
195.10283	1.2
201.11189	1.2
204.03038	12.1
218.04573	3.9
219.05380	62.1
220.06131	1.8
222.04056	1.5
233.03293	2.1
250.07143	9.2
251.04370	17.0
251.06914	1.0
251.08127	1.7
280.86353	0.9
296.21158	0.9
335.36957	1.0
343.13034	54.8
375.15576	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	2.2
59.01382	38.7
59.01657	3.1
70.07220	1.4
70.18025	1.5
70.60963	1.8
71.01377	22.7
73.02936	2.5
75.00905	1.7
84.46236	1.6
85.02934	7.3
89.02438	19.1
95.05043	3.7
97.06609	1.6
98.03722	6.3
101.02438	13.0
107.05009	7.1
113.02428	7.3
119.03499	3.1
138.63817	1.8
151.11284	88.2
160.04033	19.6
161.04706	1.8
169.12325	27.8
176.03574	2.4
195.10280	100.0
201.11279	2.7
209.11763	2.1
213.11365	13.6
219.05403	12.0
237.11250	1.9
250.07164	2.5
251.04620	2.3
272.06992	2.1
315.30328	1.6
331.08383	3.2
343.12918	8.2
375.15698	18.7
375.20029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98827	0.9
74.87653	0.6
79.95737	24.1
87.60272	0.7
96.96006	100.0
115.40885	0.8
148.21492	0.7
183.10306	2.8
228.91432	0.8
240.28339	0.8
295.22763	4.1
357.20795	0.9
375.18521	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05370	1.0
63.96241	52.7
74.89324	1.0
79.95735	93.4
80.96508	6.3
83.77472	1.0
89.20681	1.2
96.96004	4.8
108.26353	1.3
125.09734	2.1
130.68710	1.3
132.99593	2.5
147.68513	1.2
149.56400	1.1
160.23351	1.1
165.77650	1.2
166.24826	1.2
171.10217	2.1
175.07904	1.5
183.13904	19.5
187.09731	2.2
191.07468	29.9
195.13879	4.9
197.11800	1.3
201.11317	2.8
245.08487	1.9
263.09604	2.3
277.21805	9.9
293.21252	6.0
295.22791	22.6
317.04251	1.4
357.17294	2.4
375.18457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61000	0.7
62.60187	0.8
63.96242	44.3
68.86008	0.9
79.50424	1.0
79.95734	82.7
80.96512	13.5
88.01559	0.9
96.95991	2.0
132.99663	1.4
158.82703	1.0
171.10236	2.0
175.08029	1.9
183.13939	8.7
191.07503	32.0
195.13911	4.6
201.11453	3.5
227.37819	1.0
263.09756	1.3
277.21753	7.7
293.21320	3.7
295.22775	15.3
326.96283	1.1
357.17560	3.5
375.18491	100.0
388.36404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09157	1.3
52.63054	1.3
55.43700	1.6
59.01361	11.2
59.82357	1.4
61.98822	3.3
63.96245	61.2
70.25140	1.6
79.95736	100.0
80.96524	2.9
87.51257	1.8
96.95969	2.1
165.43428	1.9
169.66666	1.6
171.10231	2.9
175.07968	12.0
191.05801	3.5
191.07500	96.5
201.11281	8.5
209.15482	29.9
222.92297	1.7
225.53000	1.8
229.19579	2.1
275.20139	11.9
275.99811	1.6
277.21759	2.2
288.49124	1.8
293.21243	37.7
295.16882	2.3
295.22711	6.3
297.18390	24.6
322.63120	2.1
329.17209	3.3
357.17291	9.4
375.18329	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92128	1.5
59.01368	2.2
61.98848	2.2
63.31997	1.4
63.96244	42.4
67.84458	1.5
69.63223	1.5
79.95738	88.3
80.15942	1.5
80.96520	6.3
96.96001	5.7
102.39487	1.6
113.09634	2.8
183.13898	44.9
195.13930	3.8
230.83177	1.7
237.72650	1.5
245.08623	2.1
247.09979	2.5
247.83600	1.6
263.09604	3.5
277.21655	3.2
293.21353	15.1
295.22809	21.5
357.17496	13.0
375.18454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1931
Annotation	Remifentanil
Peak:m/z	Relative Intensity
57.36716	0.7
59.01377	3.9
61.98836	6.2
72.04144	0.7
77.60294	0.6
78.95895	3.0
79.95731	4.4
85.06615	0.9
90.20420	0.7
92.05053	57.4
93.27650	0.8
96.30296	0.8
96.96011	0.8
112.04015	1.1
136.04044	50.6
144.10352	1.0
196.48430	0.8
219.15047	73.1
238.14491	4.2
263.13995	4.6
375.19241	100.0
375.27368	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1931
Annotation	Remifentanil
Peak:m/z	Relative Intensity
57.21333	0.9
59.01376	5.2
62.12049	0.8
72.00902	1.5
77.04406	0.9
79.95724	1.1
91.05492	1.9
96.96009	10.6
113.01078	1.0
115.08752	5.8
116.07110	1.0
118.06610	6.5
118.97770	1.1
125.07209	1.9
128.07146	4.6
141.06715	15.8
144.48689	1.1
147.04533	11.6
156.13885	1.3
164.07195	20.9
166.12329	5.1
183.15045	1.2
184.13460	2.5
188.17944	1.1
199.14503	1.4
202.07445	4.7
209.12854	1.3
210.11427	13.3
217.13507	2.4
221.13043	1.8
245.12897	8.3
287.21149	1.7
299.90039	1.0
303.66266	1.1
370.21365	1.4
375.02472	1.2
375.19223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.23587	0.5
71.01384	2.7
79.95743	1.4
80.96523	1.4
85.84932	0.6
101.02470	1.0
105.29046	0.6
113.02427	1.2
116.96538	0.6
136.04083	1.0
154.63443	0.6
161.04578	1.4
171.08107	1.0
176.55521	0.6
180.06706	1.5
214.95219	0.6
265.18179	1.1
283.19189	0.9
301.20026	2.2
315.14236	0.7
315.18130	4.0
333.62170	0.7
339.18207	0.8
375.17056	0.9
375.19559	0.8
375.23917	1.2
375.27823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67899	0.5
56.83017	0.6
58.54444	0.6
59.01381	100.0
63.82383	0.6
65.78952	0.6
66.76358	0.6
71.01385	1.2
73.36265	0.6
79.13428	0.7
101.02427	2.6
181.93657	0.7
249.87531	0.7
267.03616	0.8
272.13962	0.7
272.79105	0.7
299.67352	0.7
315.18134	3.8
316.83710	0.7
375.19891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.3
59.01686	1.3
70.12921	0.6
71.01379	17.7
73.02952	1.2
73.82233	0.6
81.88767	0.8
85.02954	4.4
89.02434	21.0
95.01385	1.3
101.02440	16.2
113.02451	9.7
119.03490	7.9
125.80981	0.8
192.03513	0.8
195.13943	14.1
202.51923	0.8
213.15013	4.9
237.92763	0.8
238.27713	0.8
320.65283	0.8
375.20306	100.0
377.07962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48312	1.4
57.47530	1.4
59.01385	9.8
61.98837	4.0
62.01268	1.5
63.08963	1.8
66.63720	1.4
75.00858	14.1
77.89935	1.4
79.95749	2.7
85.78080	1.5
92.23063	1.5
97.06607	2.9
99.08154	2.5
115.07648	25.7
121.12500	1.7
125.09721	100.0
169.08717	3.4
169.12329	38.2
171.10275	34.8
187.09775	97.2
197.11829	19.9
197.13272	1.7
201.11467	3.4
213.11356	2.2
222.41592	1.7
241.10846	11.5
247.18669	1.6
259.11899	37.5
344.30249	1.6
375.20392	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55510	0.5
59.01381	100.0
64.98235	0.6
71.01373	3.8
73.02937	0.9
85.02947	2.3
99.00877	0.6
101.02422	5.0
113.02450	0.7
125.09746	0.5
161.04552	1.1
165.46851	0.5
194.72017	0.5
202.92711	0.7
247.06773	0.6
315.18146	16.3
375.15674	1.0
375.20346	11.2
383.46075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15595	3.3
56.61271	3.1
57.18443	3.5
58.77499	4.2
59.01376	34.4
65.11514	3.5
81.16499	4.2
99.92599	13.9
100.93343	5.4
115.92026	8.3
132.61971	4.0
155.10788	3.9
183.10272	33.6
183.13927	26.8
192.57045	4.5
223.13165	16.3
235.17026	30.7
275.20230	37.7
291.65381	4.7
293.21283	100.0
315.19482	82.2
339.64203	4.2
357.11740	5.3
375.12976	40.3
375.21841	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18223	0.8
59.01377	1.2
72.99294	1.0
84.74837	0.9
127.01548	1.0
128.85121	1.0
139.11307	4.9
153.12872	2.5
155.36800	0.9
191.18030	7.9
247.20590	2.4
293.21259	100.0
315.19559	1.3
359.95508	1.1
375.21445	17.1
375.25488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18672	1.6
51.80729	1.3
56.14069	1.5
59.01392	20.0
95.05024	31.5
96.96004	15.7
102.15546	2.1
106.24677	1.9
117.32671	2.1
141.94470	1.9
150.03067	2.7
151.12271	1.8
195.13924	19.8
223.13342	16.0
246.12334	22.2
275.20212	15.5
278.11368	70.2
293.21259	100.0
315.19492	43.5
338.12027	3.3
373.29871	2.1
375.21973	27.1
375.29358	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98925	1.8
59.01374	25.0
62.58309	1.8
69.03468	3.2
102.06581	2.2
183.13921	3.6
223.17044	92.4
224.46764	2.2
232.51700	2.2
243.13681	5.0
245.15204	10.8
275.12680	3.8
275.20212	15.4
277.14218	3.8
293.21289	100.0
315.19482	37.0
375.21664	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.8
59.01375	9.9
67.50859	0.7
71.02499	1.0
71.46951	0.6
96.00911	14.4
113.03587	2.9
125.09734	4.7
141.12846	1.5
149.09712	3.3
151.56953	0.7
174.52856	0.8
185.11824	15.7
197.11801	4.4
278.24915	1.3
293.21252	100.0
304.26428	1.5
315.19452	36.1
375.21484	23.7
375.26553	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24363	0.8
59.01112	1.0
59.01381	10.7
59.78231	0.7
67.45532	0.9
70.78909	0.8
73.85087	0.8
79.95723	1.0
104.02453	0.9
113.68804	0.9
116.22444	1.0
125.09725	2.0
141.12834	1.9
144.48630	1.0
149.09729	2.0
164.23288	0.9
185.11827	14.6
197.11829	3.7
238.18568	1.0
247.20638	1.8
293.21268	100.0
315.19479	24.6
318.20715	1.1
318.54318	1.1
375.21570	28.0
375.25854	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77899	1.5
53.71210	1.9
59.01381	20.3
61.98832	8.7
63.96241	61.8
70.65547	1.5
77.05563	1.8
79.95736	100.0
80.96500	3.0
96.95994	3.6
101.06187	1.8
133.56461	1.9
140.37010	1.7
171.10297	2.8
175.08034	4.5
177.43886	2.3
178.04370	1.9
182.64081	2.1
183.13791	2.8
191.07486	98.5
201.11339	4.5
209.15492	57.5
229.19609	3.7
231.21295	2.2
275.20163	36.7
277.21725	3.6
285.14972	2.6
289.44547	1.9
293.21289	74.5
295.16864	3.3
295.22870	4.5
297.18381	45.7
329.17325	20.4
357.17477	7.8
375.18069	96.4
379.93994	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22761	0.8
54.56446	0.9
57.03456	1.6
59.01383	18.7
60.91393	1.0
82.75385	0.9
86.24215	1.0
87.74445	0.9
104.05358	0.9
109.06546	1.3
113.09720	30.8
118.57961	1.0
134.10442	1.1
137.18184	1.0
139.11325	2.0
167.10727	4.4
177.12906	1.5
179.10793	6.0
189.31285	1.1
195.13832	7.5
196.07220	1.1
199.43369	1.1
209.35593	1.0
233.25130	1.1
249.22293	5.9
272.13907	1.7
293.21271	100.0
295.27646	1.2
315.19452	54.4
375.21567	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2541
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
50.54951	0.6
59.01382	1.0
78.95899	1.4
82.94696	0.7
107.29833	0.7
171.10300	1.0
194.58586	0.8
208.13451	1.3
255.25302	3.7
260.08237	0.9
277.21744	100.0
348.25397	1.9
375.26553	9.2
375.30957	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
65.58880	0.6
71.05025	2.2
86.32803	0.6
104.78994	0.7
111.30325	0.6
122.99935	0.7
131.40150	0.6
255.16519	0.7
275.20364	0.9
277.21747	100.0
293.21280	3.9
306.34094	0.6
331.26447	0.8
355.28848	0.6
375.21521	1.1
375.25659	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2544
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
51.64950	0.5
56.95122	0.5
59.01373	1.1
59.51151	0.6
95.08727	0.6
130.73691	0.7
146.03688	0.7
277.21747	100.0
279.06213	0.7
375.25983	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2657
Annotation	Phytyl phosphate
Peak:m/z	Relative Intensity
58.02984	5.5
58.67064	0.6
68.14132	0.6
71.02504	5.4
73.97855	0.6
77.56967	0.8
96.00909	55.8
103.87057	0.6
110.99532	1.0
113.03572	11.5
115.76018	0.7
130.39180	0.7
149.44751	0.7
195.42308	0.7
278.24875	7.3
304.26511	9.5
332.26135	1.2
375.26559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	4.8
59.01375	1.1
60.00077	0.6
63.22037	0.7
71.02498	5.8
78.00124	0.7
80.20849	0.7
88.13566	0.7
96.00907	53.7
111.96083	0.8
113.03559	9.6
143.36185	0.8
152.88057	0.8
218.22470	0.8
278.24896	7.4
304.26572	11.5
309.94489	0.8
322.47501	0.8
326.51874	1.0
332.26120	0.8
333.25693	1.3
337.99875	0.7
375.26529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41977	0.2
55.01894	0.2
59.01382	0.4
64.46191	0.2
70.10899	0.2
71.01393	0.2
83.05005	0.3
85.02959	1.0
111.04531	0.4
113.02449	100.0
119.26203	0.2
144.80040	0.3
155.70624	0.2
205.21651	0.2
358.16211	0.2
376.09052	1.1
376.17068	1.1
378.21826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81449	0.5
58.41018	0.4
58.97483	0.3
59.01382	1.7
68.03796	0.4
70.81013	0.4
71.01389	0.6
73.02947	3.2
73.14458	0.4
78.95892	0.8
84.36996	0.4
85.02958	0.6
91.51494	0.4
92.62127	0.4
96.08177	0.8
101.02440	13.3
103.25789	0.5
103.73515	0.5
114.05589	0.8
115.04018	2.1
116.07171	100.0
133.57896	0.4
158.08270	0.8
188.09290	10.1
190.23358	0.4
214.12830	0.7
254.80103	0.5
259.08133	0.7
260.11444	1.0
376.10114	0.5
376.16986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05704	0.3
51.64611	0.3
59.01379	0.8
73.02942	2.3
79.79948	0.4
85.02956	0.6
96.08222	0.8
101.02438	9.8
115.03983	0.5
116.07168	100.0
131.40933	0.4
133.13544	0.3
158.08244	2.1
188.09294	10.4
218.10399	0.5
367.47495	0.4
376.16147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70346	0.3
53.12180	0.3
53.21446	0.3
59.01377	8.2
61.20805	0.3
64.50320	0.3
71.01388	0.6
73.02937	1.6
73.78857	0.4
84.92288	0.4
85.42007	0.3
96.08218	0.6
98.26876	0.4
101.02442	11.1
101.06100	0.4
115.04007	0.6
116.07166	100.0
150.04213	0.4
158.08224	1.6
188.09290	11.1
218.10248	0.4
296.16278	0.4
316.14069	0.5
376.16492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07578	1.2
60.11499	1.1
63.96244	52.5
64.96175	1.7
79.95738	91.7
80.41185	1.3
80.95679	1.5
80.96503	5.4
92.22458	1.6
96.95981	2.3
125.09673	6.2
126.10028	6.0
132.71996	1.3
137.72755	1.3
170.12697	1.6
179.79169	1.4
183.13867	7.1
184.14192	8.8
187.09731	3.3
188.10056	5.9
191.07497	15.0
192.07791	11.9
196.14137	2.0
220.27216	1.5
245.08485	1.8
278.22021	7.2
294.21524	5.5
296.23022	15.4
358.17569	5.7
376.18695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18244	1.1
63.96243	43.3
64.96172	1.6
66.96839	1.2
67.07116	1.1
75.99633	1.3
77.90145	1.3
79.95269	2.9
79.95737	82.6
80.95680	2.2
80.96515	6.3
96.95956	2.8
98.21504	1.3
104.86440	1.2
132.99658	1.5
145.09131	1.3
183.13864	5.4
184.14186	6.1
191.07613	9.3
192.07829	12.2
196.14183	3.2
204.94879	1.3
278.22134	9.1
294.21695	2.5
296.23114	13.1
323.15216	1.5
331.01828	1.5
358.17786	2.0
376.18774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41426	0.6
56.50055	0.6
59.01381	0.9
63.96241	51.2
64.97017	5.1
79.95738	26.9
80.96511	13.9
84.27074	0.7
84.86568	0.6
88.83812	0.6
102.40578	0.7
135.04854	9.3
142.90652	0.6
145.36748	0.8
149.06433	11.4
151.04347	0.9
153.01506	0.6
163.48697	0.7
165.05882	1.2
194.75072	0.7
262.14862	2.8
278.14304	2.9
319.77762	0.7
376.21667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45749	0.6
59.01388	0.7
63.00640	0.5
63.96241	48.8
64.97025	12.2
64.97340	1.0
65.17744	0.5
79.95268	1.1
79.95734	27.0
79.96179	1.2
80.96513	9.8
81.51868	0.6
89.85572	0.6
96.78925	0.6
96.96025	0.7
141.12813	1.1
144.07870	0.5
154.12270	0.6
163.04381	0.6
168.90460	0.5
170.11920	0.9
177.73347	0.6
184.13420	1.0
220.10120	15.0
231.96902	0.6
236.09619	4.9
255.73540	0.7
310.56241	0.6
353.50467	0.6
357.81619	0.6
358.20859	1.1
376.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55574	0.5
61.88159	0.5
70.25254	0.5
79.95746	3.8
80.83737	0.8
86.87643	0.5
95.08643	0.5
95.95242	2.9
96.96005	100.0
99.35360	0.6
113.02562	0.5
117.48055	0.5
129.01653	0.6
144.45189	0.5
161.77252	0.5
303.52771	0.5
320.26062	0.6
376.21713	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75068	0.5
75.18888	0.6
79.95747	4.9
95.95222	3.4
96.96004	100.0
100.61172	0.8
101.01752	0.6
101.94410	0.7
136.40613	0.7
146.93671	0.8
147.92239	0.8
162.50800	0.7
164.07086	1.1
207.63461	0.7
342.73773	0.7
376.21677	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76798	1.3
70.71587	1.2
75.90051	1.5
78.95909	14.1
79.95750	1.8
88.48383	1.5
95.95225	2.0
96.95373	3.6
96.96000	100.0
123.69794	1.6
131.86229	1.4
134.56708	1.7
189.05254	1.6
248.60767	1.4
376.21744	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2495
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
52.11818	0.6
53.98836	0.5
64.32832	0.6
66.74292	0.7
70.47241	0.6
72.02574	0.6
79.95738	1.0
133.53938	0.7
135.25026	0.7
153.12900	3.0
178.12373	18.9
188.20395	0.7
197.11806	3.6
215.12959	2.6
248.20226	1.4
274.18216	5.7
292.19177	9.4
294.21494	5.2
316.19693	0.9
332.26096	1.3
358.23941	8.4
376.24966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2862
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
69.13556	0.6
114.09232	3.7
116.07167	100.0
136.90474	0.6
227.53477	0.6
347.00269	0.6
376.28613	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25773	1.0
59.01384	100.0
74.07825	0.9
113.09713	1.3
148.03220	1.0
293.21198	1.3
294.21570	12.7
316.19748	7.1
316.28543	1.5
376.21545	2.1
382.27383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78184	0.4
56.95209	0.5
58.13028	0.5
61.02334	0.5
92.22511	1.0
92.99796	0.7
97.61521	0.6
110.02477	0.6
128.98146	0.6
145.03171	0.6
158.47346	0.5
163.63332	0.6
167.99382	0.8
178.53302	0.6
183.98882	1.2
196.98410	100.0
197.39052	0.6
197.99229	0.6
213.98688	63.8
214.99474	37.1
236.94249	0.5
239.64732	0.6
377.04773	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13444	0.7
55.30943	0.6
59.01379	0.9
76.70074	0.7
78.95905	30.5
89.02425	0.9
96.96954	100.0
103.04004	1.2
126.15498	0.7
130.08783	0.9
133.05051	6.3
151.93567	0.9
166.39291	0.7
171.11526	0.9
215.10545	0.8
246.89784	0.8
302.83218	0.8
341.10693	1.2
377.08163	5.4
377.15775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12683	0.4
59.01381	2.4
61.03014	0.4
71.01388	0.9
72.99310	3.5
77.15504	0.5
78.95904	23.6
89.02460	0.8
96.96957	100.0
101.02438	0.8
116.07141	1.1
123.04534	2.1
125.97679	0.5
135.04543	0.8
157.12050	0.5
171.15071	0.7
179.03537	2.6
197.04578	8.1
215.14049	7.1
279.10980	2.9
287.16165	3.2
290.82339	0.6
296.42267	0.7
359.17911	0.5
377.08176	4.3
377.19400	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.3
71.01369	4.7
89.02443	22.4
99.85041	2.3
101.02448	4.6
113.02436	2.8
119.03468	4.5
134.41890	2.1
161.52458	2.4
165.04048	4.0
179.05785	2.7
215.03340	3.9
222.26917	3.0
279.20047	2.5
341.10938	46.1
377.03802	3.3
377.08582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33914	0.9
56.98922	1.1
59.01380	5.3
67.26871	1.1
71.01372	1.8
72.99301	51.6
78.03434	1.0
78.95894	10.7
89.02448	8.3
96.96964	46.3
101.02446	1.4
102.38678	1.3
113.02452	1.1
119.03480	1.5
123.04520	15.3
135.04520	23.9
179.03505	46.6
191.20160	1.3
197.04567	100.0
209.14363	1.1
215.03397	1.8
341.04608	1.3
341.10938	15.2
377.08569	40.1
387.43597	1.2
395.64960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
59.26424	0.4
66.10278	0.4
70.02399	0.3
75.91378	0.3
78.95904	26.0
86.39854	0.4
89.02454	0.9
90.32912	0.5
91.23824	0.4
96.96957	100.0
101.02452	0.4
132.51570	0.5
227.53163	0.4
233.29149	0.4
264.34174	0.4
279.10992	3.1
327.90134	0.4
350.86975	0.4
377.08524	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
71.01392	1.4
72.84459	0.9
72.99304	45.9
78.95922	1.5
89.02434	6.2
90.08622	1.1
91.12674	1.0
96.96931	5.3
101.02409	1.2
105.89402	1.0
113.02440	1.2
119.03500	2.0
123.04511	22.0
135.04518	25.9
147.09520	0.9
151.04022	1.2
151.09853	1.1
179.03510	44.4
179.05377	2.0
179.05637	1.8
197.04564	100.0
198.19553	1.0
215.03313	1.0
230.62489	1.1
341.10913	12.7
347.06161	1.1
377.08566	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37514	0.9
59.01387	2.6
63.91935	1.1
64.79298	0.8
71.01371	1.8
72.99304	50.2
72.99690	2.2
78.95905	13.5
89.02458	4.7
96.00915	1.0
96.96956	58.9
101.02460	1.1
109.02886	1.2
114.61401	1.1
119.03458	1.3
123.04511	17.5
134.93800	1.0
135.04530	22.0
136.43956	1.0
174.66656	1.1
179.01933	1.9
179.03494	48.3
196.64220	1.1
197.04573	100.0
206.49643	1.0
215.03267	1.7
267.32254	1.2
279.10876	1.8
341.11002	7.2
377.08566	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.3
64.23435	0.8
71.01376	7.3
73.02941	14.4
76.75877	0.9
85.02959	4.3
89.02451	5.6
91.10668	1.1
97.02950	6.3
99.00876	44.5
99.01514	1.7
101.02464	8.1
104.13535	1.0
104.83692	0.9
111.04541	1.6
113.02435	5.6
115.04003	100.0
117.01933	80.2
119.03486	4.7
127.04028	2.1
128.11647	1.0
133.02924	1.9
135.04510	4.3
155.03529	1.5
155.07108	1.3
179.03711	1.3
193.08163	1.1
194.24556	1.4
199.02518	1.3
215.05678	5.7
215.09250	1.3
219.05222	1.4
257.06686	5.5
266.15643	1.2
271.10916	1.3
279.10873	1.7
287.07651	4.4
317.08844	16.7
317.12228	2.2
359.12592	1.7
377.10413	13.9
377.15021	1.8
377.21765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1427
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.45401	0.9
66.48048	0.8
68.49805	0.9
72.27555	0.8
80.90588	0.9
81.24783	0.8
84.93874	6.2
97.39236	0.9
99.92581	65.2
100.93362	17.3
115.92072	22.2
116.92854	98.1
141.25714	0.9
153.51830	1.0
172.67111	1.0
228.01125	1.0
308.07452	1.7
341.29257	1.0
359.13269	2.3
377.14279	100.0
391.12100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78793	1.3
59.01382	100.0
66.44651	1.2
71.01379	43.5
71.56785	1.3
84.77122	1.4
85.02950	6.2
86.07314	1.5
89.02441	74.3
90.90343	1.3
93.03456	1.5
99.04515	8.1
101.02438	31.1
106.64561	1.3
111.04482	1.5
113.02438	21.0
115.04019	7.4
119.03487	22.9
122.56933	1.5
127.03991	2.9
133.02968	2.0
161.04515	1.7
179.05598	7.3
189.78996	1.7
233.85338	1.3
274.01364	1.6
279.10876	87.1
377.14520	27.4
377.18384	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68922	1.2
59.01382	100.0
59.01684	3.4
62.06634	1.6
71.01379	37.5
72.93726	1.2
80.51525	1.3
80.91424	1.4
85.02960	3.7
89.02440	49.3
90.88636	1.3
92.23090	3.0
97.02925	3.2
101.02444	31.0
113.02456	14.9
115.03999	38.4
119.03475	20.6
157.04948	1.8
173.51215	1.7
179.05617	6.0
247.02768	1.5
248.43707	1.6
274.77942	1.7
279.10883	67.4
296.41568	1.7
377.14526	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68050	1.2
56.49968	1.3
59.01382	100.0
71.01378	97.6
83.92753	1.3
85.02946	3.5
85.38277	1.2
96.44224	1.3
99.11617	1.3
101.02536	1.3
113.02401	1.4
146.03833	1.4
317.12384	20.7
377.18192	12.2
384.70468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.96252	1.3
71.01383	41.2
72.49101	1.2
72.99276	1.2
82.03475	1.2
82.78390	1.1
83.01395	1.3
84.48232	1.1
85.02946	5.3
89.02440	48.2
95.01353	1.3
97.02932	8.2
101.02438	32.1
107.80849	1.5
113.02421	20.4
115.04008	36.5
117.68906	1.3
119.03493	25.1
140.95450	1.3
179.05643	5.3
256.84769	1.4
272.05066	1.3
279.10889	77.0
327.06989	1.4
377.14493	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09604	0.9
59.01382	100.0
60.84598	0.9
61.46515	0.9
68.17905	1.1
71.01381	65.3
78.86121	1.0
94.98971	1.0
113.02389	1.1
163.05199	1.6
184.35617	1.2
229.25296	1.0
263.11404	1.3
276.02991	1.1
317.12338	6.9
343.97424	1.1
377.13651	4.3
377.18155	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24131	0.7
59.00462	0.7
65.52118	0.8
75.38284	0.7
78.09921	0.7
79.23602	0.7
102.86813	0.7
104.06841	0.8
121.02904	1.0
121.71005	0.8
122.03730	4.0
133.30742	0.8
149.02432	19.8
150.03217	71.9
164.04797	12.3
165.05562	100.0
167.35779	0.8
180.04272	7.2
195.06639	48.3
283.09933	1.3
313.81964	0.9
314.11557	11.5
329.14001	25.5
377.16165	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49916	2.2
59.28227	2.4
62.20692	2.1
92.23105	4.1
95.14790	2.3
99.23366	2.5
117.41312	2.5
149.02449	77.2
150.03215	25.8
164.04826	25.8
165.05548	34.2
181.08574	2.9
184.83788	2.9
194.27731	2.6
195.06630	16.7
259.92322	2.6
283.09964	3.5
314.11639	57.7
329.13998	100.0
377.15701	3.4
392.49048	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12648	0.4
57.03444	0.4
58.45440	0.4
59.01101	0.6
59.01381	11.6
71.01375	8.9
72.99300	0.5
73.02943	3.0
75.35681	0.4
83.01395	0.9
85.02937	3.1
85.98031	0.4
87.32928	0.4
89.02433	5.4
99.00864	1.0
101.02439	11.2
105.26685	0.4
113.02426	4.3
119.03467	1.8
169.12367	1.9
179.10742	0.5
197.11841	1.9
215.12897	14.5
223.25478	0.5
331.17496	0.6
359.17371	0.9
377.18179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
59.01099	0.7
59.01380	12.0
71.01376	7.1
71.91099	0.4
72.55896	0.3
72.99310	2.3
73.02934	2.1
83.01372	1.8
85.02950	3.1
87.20451	0.4
89.02435	6.6
99.00869	0.9
101.02440	10.6
101.98715	0.4
113.02457	4.9
117.89007	0.4
119.03481	2.1
127.00150	0.3
133.48262	0.4
135.92404	0.4
149.02409	1.0
150.03148	0.6
164.04796	0.8
165.05566	0.8
169.12270	0.6
197.04659	0.4
197.11821	5.0
215.12894	7.9
314.11621	1.9
329.13858	3.5
359.17123	1.0
364.86807	0.5
377.18207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.3
60.66829	2.9
61.44197	3.6
68.94929	3.2
71.01381	6.8
73.02940	3.4
85.26389	3.2
104.79237	3.6
113.02413	4.2
161.04546	7.5
174.84312	3.5
218.31128	3.4
301.51352	3.8
331.17722	14.8
377.18179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97840	0.2
55.01868	0.5
57.03456	0.3
59.01103	0.4
59.01381	7.9
71.01379	7.1
73.02950	3.0
75.00861	1.3
83.01374	1.9
85.02951	3.9
89.02451	3.8
99.00865	0.7
101.02436	10.4
103.27490	0.2
113.02439	4.5
113.50742	0.3
119.03531	0.4
125.02397	0.3
135.15797	0.3
138.68105	0.3
144.06387	0.3
161.04544	0.6
169.12302	1.9
174.60857	0.3
184.49686	0.3
197.11845	2.5
215.12868	8.6
230.51198	0.3
244.44496	0.3
257.13895	0.3
269.98080	0.3
331.17511	0.5
359.17175	1.9
377.18198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74017	5.5
56.74758	4.5
59.01384	26.3
68.13326	5.2
90.34415	5.3
96.95998	24.1
101.10646	5.6
108.06526	5.3
160.39200	6.0
251.20158	70.1
289.17792	7.3
295.19141	89.5
301.14453	6.0
317.17383	100.0
377.19901	30.1
377.24152	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1974
Annotation	3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
50.84804	4.9
59.01377	14.9
79.95749	9.2
88.22504	5.9
96.95998	93.5
109.32898	5.4
109.36465	5.7
116.85629	5.4
121.02940	22.5
131.92877	6.3
173.09677	8.0
176.08461	47.7
189.09331	8.4
190.10037	15.2
191.10748	9.7
203.10719	10.7
241.16086	15.1
252.15370	6.2
257.19196	13.6
259.17120	45.3
301.18137	29.7
345.16977	46.9
377.19229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65594	0.9
68.45358	1.1
73.02940	100.0
79.33434	0.9
79.95741	1.7
88.89192	1.0
92.22488	1.2
136.99141	73.2
153.12833	1.5
206.68535	1.1
289.40421	1.2
293.17734	1.4
316.06796	1.3
333.24655	2.1
377.19473	1.9
377.23444	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	1.8
50.36842	1.4
51.18183	1.9
57.04261	1.9
59.01386	18.3
61.80040	1.7
72.08772	1.8
95.54343	1.9
171.10281	59.8
241.21883	3.2
249.22462	2.5
277.21750	87.4
295.22842	92.5
317.21036	35.5
361.20081	3.5
377.23135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	1.8
59.01381	16.1
92.22428	2.4
95.05001	1.6
96.96012	1.5
106.02638	1.7
154.68442	1.5
159.59898	1.3
171.10303	3.1
183.10304	11.0
195.13925	32.5
204.20157	1.5
217.12099	2.1
277.21753	35.1
278.11279	5.4
295.22821	100.0
317.20987	52.9
333.24548	2.4
361.19870	2.4
377.14813	1.6
377.23141	59.2
377.27612	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22933	2.2
59.01387	24.6
63.20457	2.3
65.48155	1.8
96.96014	15.0
113.25363	2.2
115.92077	2.0
171.10281	64.4
175.88039	2.6
214.32571	2.2
277.01813	2.2
277.18680	3.4
277.21756	98.0
295.19470	3.2
295.22845	83.3
317.20959	27.8
377.23230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01136	1.2
59.01384	15.8
75.50728	0.9
102.54147	0.9
137.09727	2.1
141.81825	1.1
155.14389	7.6
157.99719	0.9
164.78491	0.9
171.10280	8.3
179.10759	1.5
195.13922	2.2
251.23833	5.3
277.21765	14.4
295.22815	100.0
314.90015	1.0
317.21027	32.1
347.41711	1.1
377.23175	46.3
377.27032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.4
64.03428	1.2
68.19304	1.4
75.32504	1.4
80.96535	1.7
89.75811	1.3
96.96012	2.1
98.13934	1.2
99.92566	9.6
100.93351	3.0
115.92099	10.9
116.92850	2.5
155.10771	2.7
171.10289	43.4
183.10265	32.4
185.11780	1.8
241.21758	12.6
277.21744	66.5
295.22833	100.0
317.20990	38.4
361.19864	5.1
377.14713	15.8
377.23172	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91162	0.5
57.90759	0.5
59.01380	8.7
66.29113	0.6
79.87601	0.5
79.98473	0.6
84.80846	0.7
88.32005	0.7
91.00714	0.6
97.35888	0.6
125.09703	3.3
141.12875	0.7
151.11299	1.4
164.16930	0.6
248.12859	0.5
249.22200	1.1
251.23811	2.4
277.21738	0.8
293.17703	0.7
295.22815	100.0
317.21030	34.0
317.24747	1.0
377.23172	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
59.01384	100.0
71.39354	0.9
96.96006	13.3
104.83675	1.0
204.23286	1.1
295.22650	5.2
316.28058	1.1
377.19809	5.7
377.23474	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23428	1.1
59.01381	100.0
73.28755	1.2
79.95726	4.8
91.01218	1.2
96.96014	5.9
107.08787	1.4
127.47675	1.3
171.78297	1.4
256.29300	1.4
285.18765	1.5
297.24289	2.1
333.20773	1.8
341.23383	1.8
366.14297	1.4
377.19592	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2339
Annotation	Notonipetrone
Peak:m/z	Relative Intensity
55.01886	1.1
68.09086	0.6
81.07104	3.2
83.05017	1.2
83.25801	0.6
96.96003	0.9
97.06602	2.6
101.06054	1.0
101.21012	0.7
103.51945	0.7
125.09747	0.9
135.11798	5.2
151.11333	0.8
151.14973	0.7
153.12845	8.5
163.11261	0.9
169.12283	0.9
179.10776	8.7
197.11868	5.4
209.48537	0.6
215.12869	0.9
231.17535	1.1
249.18556	1.4
252.03395	0.8
275.16629	7.2
277.18155	1.0
293.17609	14.4
333.24374	1.4
359.22079	1.0
377.23352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22540	1.4
57.15581	1.3
59.01393	6.0
60.32698	1.5
61.98830	100.0
94.54110	1.6
96.95983	3.3
117.86304	1.7
169.41924	1.8
218.25276	1.6
256.48294	1.8
271.38654	1.8
353.14694	2.0
362.04483	2.3
377.06613	19.9
377.19891	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76240	0.6
51.64599	0.5
52.78366	0.5
53.45386	0.6
55.24480	0.5
55.29802	0.6
55.80869	0.5
59.01402	0.9
62.22412	0.6
64.22168	0.6
73.60748	0.6
107.88011	0.6
120.14510	0.7
170.17517	0.8
178.73578	0.8
234.84679	0.8
273.42474	0.6
279.23309	100.0
331.44318	0.7
368.35599	0.7
372.48700	0.8
377.30670	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01006	1.8
57.09320	2.3
63.01542	2.2
72.28461	2.3
77.81187	2.5
85.24585	1.9
93.64725	2.4
94.25050	2.2
96.00900	40.1
100.03437	2.2
113.03576	4.5
114.05594	11.3
115.05976	3.0
146.10912	2.5
173.38353	2.4
265.53622	2.5
280.26416	16.4
306.27991	9.6
377.28101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08324	0.8
53.75402	0.7
55.24640	0.7
57.03448	3.5
59.01106	1.3
59.01384	32.4
67.40181	0.7
80.63743	0.8
99.10870	0.9
110.31229	0.8
125.05777	0.8
162.76585	1.0
279.23325	30.1
317.28473	7.4
333.31607	12.6
359.29715	12.7
377.30649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55682	2.7
59.01379	37.4
69.03452	25.1
71.01382	21.3
72.11522	2.9
73.02952	3.4
81.03453	18.9
83.05032	3.4
85.02949	12.4
89.02438	22.7
93.03432	3.2
97.02941	18.4
101.02438	54.5
111.04513	15.7
113.02467	7.3
115.03999	100.0
116.03517	6.2
117.01942	3.3
123.04559	5.9
125.02446	19.9
128.03537	46.6
155.03513	6.6
165.05560	3.2
173.04579	7.2
189.07793	4.5
215.05434	3.4
233.06671	26.9
236.07761	6.0
238.91249	4.0
272.83582	3.2
331.10330	18.4
378.10596	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56108	0.5
59.73502	0.5
60.07108	0.7
61.98831	100.0
67.22815	0.6
71.83082	0.6
79.49755	0.6
83.72311	0.6
85.41019	0.7
89.15888	0.6
114.62972	0.6
124.78894	0.7
139.32451	0.6
149.93671	0.7
153.05545	0.8
225.98010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24181	0.5
59.03036	0.5
60.80814	0.5
71.01378	0.8
72.00905	11.3
73.02939	2.5
74.02469	10.0
90.14156	0.5
101.02438	17.1
118.05095	100.0
160.06152	1.3
188.70300	0.6
190.07234	12.2
199.06035	0.6
247.13385	0.6
378.09784	0.7
378.14066	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	19.0
63.90412	1.0
72.04533	5.8
74.02467	100.0
79.27599	0.9
94.00697	1.0
95.89507	1.2
118.05090	2.2
118.78331	1.0
165.03169	0.9
244.78612	1.0
274.18253	1.1
287.78943	1.2
290.12369	1.0
290.25092	2.0
316.17426	1.2
316.22763	17.9
316.26135	1.8
334.23917	40.9
362.91873	4.1
377.94180	2.2
378.18823	3.9
378.26556	78.9
381.39575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54520	0.9
58.02966	2.0
59.01379	7.2
60.01737	1.0
61.98826	1.8
62.47533	0.9
67.91000	0.9
71.05012	2.2
84.04536	17.1
85.32073	1.0
99.29652	1.1
100.07662	13.5
102.05601	92.0
104.69513	1.2
109.96128	1.0
129.81778	1.1
297.74591	1.2
320.22397	6.6
360.25522	14.2
378.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31707	0.6
59.01382	1.0
80.55302	0.7
84.04550	5.6
85.02912	0.7
100.07703	5.0
102.05606	66.4
109.37553	0.9
121.10235	5.6
167.64389	0.7
227.75198	0.9
240.16150	1.0
256.15634	5.0
280.19260	1.4
281.20224	0.8
354.21716	1.0
360.25476	6.5
378.26556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91345	0.7
54.21409	0.7
56.44958	0.7
57.18779	0.7
70.95197	0.9
84.04544	8.4
96.96012	3.8
97.06248	0.9
100.07677	4.3
102.05607	66.6
139.09671	1.1
154.12265	1.2
196.17110	1.2
203.30872	0.9
268.15506	6.1
300.61389	0.9
378.26547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88684	0.5
52.63580	0.5
70.27803	0.5
94.43738	0.6
102.04281	0.6
114.09232	5.0
116.07168	100.0
153.65347	0.6
163.41119	0.7
169.66479	0.6
218.43988	0.7
231.62543	0.6
253.04181	0.6
275.30359	0.6
334.31250	1.6
378.30191	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11095	1.1
52.06341	1.3
53.26768	1.1
54.80557	1.0
55.66321	1.2
56.38354	1.2
59.01387	1.3
63.49477	1.1
64.64174	1.3
66.34806	1.1
69.82324	1.2
72.49441	1.3
72.99308	5.2
73.42719	1.1
83.05002	9.5
85.39798	1.4
92.65686	1.2
93.03434	1.9
96.96967	3.0
105.52937	1.4
111.04510	30.1
115.03999	3.1
127.04008	81.1
129.05562	2.8
135.04547	19.5
137.02451	6.0
155.03500	80.3
167.38478	1.6
179.03505	14.1
189.04062	2.2
199.00806	2.3
199.02513	51.3
209.81918	1.3
211.55724	1.3
217.03542	100.0
249.42043	1.8
305.03452	1.6
379.08182	2.9
404.85995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
59.01377	1.2
62.42706	0.6
67.10439	0.7
69.03455	100.0
72.99302	1.0
79.01894	1.8
91.08270	0.8
97.02943	16.8
99.00879	25.6
100.41872	0.8
102.82834	0.8
116.14816	1.0
119.05037	9.5
134.03746	4.0
134.11087	0.8
141.01944	6.7
149.35550	0.8
149.71608	0.8
163.03990	9.6
185.00928	46.0
193.05096	4.8
203.02080	0.9
217.03441	1.2
294.17181	0.9
354.87195	1.0
379.06772	21.9
403.37369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70497	1.4
53.64325	1.1
59.01388	23.7
62.49033	1.2
62.77182	1.3
65.57729	1.4
71.01382	8.3
72.99310	9.4
80.15153	1.3
83.05024	10.4
86.28024	1.6
89.02445	6.3
93.03465	1.6
101.02428	7.7
109.02948	1.6
111.04520	35.0
113.02449	3.5
115.03998	2.8
119.03502	1.8
123.68684	1.4
127.04011	99.6
129.05580	5.8
135.04547	21.8
137.02464	6.6
140.50595	1.3
155.03514	83.1
161.02377	2.0
165.56438	1.5
177.05534	2.4
179.03529	21.2
199.02499	62.4
217.03540	100.0
261.07712	6.6
262.79584	1.5
279.10815	10.9
281.06589	2.5
302.07370	1.5
319.14069	2.6
330.04852	1.6
379.11520	2.4
379.16104	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
60.56564	1.4
61.24778	1.8
65.60773	1.5
66.59841	1.4
70.45160	1.7
71.29533	2.0
72.99291	7.9
73.84409	1.6
83.05032	12.3
85.02915	1.7
111.04498	34.7
115.04020	3.0
127.04005	80.3
129.05553	3.6
135.04503	20.2
137.02441	4.2
155.03487	81.6
179.03537	22.8
193.84692	1.8
199.02495	63.2
217.03529	100.0
250.42210	2.4
343.73212	1.9
379.19910	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
61.26671	0.9
62.40783	0.9
69.22253	0.9
70.15541	0.8
71.70966	0.9
84.01515	0.9
96.96012	9.7
116.44487	1.1
155.65297	1.0
193.16153	1.0
225.05559	25.5
253.02374	1.6
253.05074	50.4
254.05855	15.7
264.35733	1.0
282.05386	87.5
297.07718	100.0
299.26056	1.8
299.79230	1.0
309.07709	2.1
317.21472	1.5
361.13324	8.3
361.20367	1.2
379.11761	5.3
379.21570	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
71.01387	1.2
84.58627	0.9
89.02431	1.1
96.53389	0.8
100.10071	0.9
101.02457	1.4
115.10541	0.9
119.05019	57.7
121.02957	4.5
135.03032	2.0
145.06642	1.4
161.12459	1.0
163.04015	87.7
173.09688	13.4
187.07635	1.2
217.08694	13.4
261.07693	100.0
355.10251	1.1
379.10419	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
63.27094	0.6
67.41557	0.5
69.89964	0.5
71.01384	1.5
75.00873	3.5
85.02958	4.3
93.03459	0.9
97.02934	1.2
99.41171	0.6
111.04501	1.4
117.01933	1.0
119.05017	97.0
121.02950	13.3
125.71940	0.6
135.02994	42.0
145.06573	1.0
163.04012	43.6
171.08156	0.7
173.09735	3.1
187.07632	4.0
189.05629	0.8
199.07640	1.1
217.08670	9.5
261.07693	100.0
281.06680	17.2
379.10434	18.7
379.15295	1.2
401.52866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56250	0.3
59.01381	2.1
59.45227	0.3
63.49039	0.3
65.52335	0.4
66.18956	0.3
70.70732	0.4
71.01367	0.5
85.05795	0.3
96.07907	0.4
111.04485	0.5
119.05017	100.0
127.04027	2.9
135.04472	0.5
145.02890	0.5
155.03516	1.9
162.90649	0.4
163.04012	88.2
176.81839	0.4
179.03444	0.4
199.02461	1.8
204.15617	0.4
217.03522	2.4
221.02031	0.4
222.55809	0.4
263.06705	1.8
379.07492	1.8
379.11087	1.3
379.19308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.17751	0.4
70.51110	0.4
71.01389	3.5
72.99308	0.6
82.72264	0.5
85.02946	4.4
87.94212	0.4
109.64601	0.5
111.04540	0.7
117.03443	9.8
119.05016	8.1
127.04025	1.0
133.06557	0.9
145.02951	100.0
147.56178	0.5
155.03503	1.0
163.04019	10.4
175.35526	0.5
187.00545	0.5
187.03973	3.6
199.02414	0.8
217.03487	2.1
290.11542	0.6
296.36340	0.7
379.10477	11.3
392.66940	0.6
394.92737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80026	0.4
53.33387	0.4
53.95375	0.4
54.71453	0.4
59.01382	1.9
71.01380	3.0
83.69329	0.4
85.02960	4.9
111.04463	0.6
113.02429	0.5
117.03449	9.0
119.05023	6.3
122.52931	0.7
127.03983	0.9
145.02953	100.0
155.03496	1.2
161.06105	0.8
163.04021	7.1
186.56485	0.5
187.04022	2.7
217.03606	0.7
293.27536	0.5
379.10352	11.0
379.14594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51778	0.5
59.01378	2.3
69.03454	12.2
71.01365	0.6
78.72156	0.5
85.02922	0.6
88.38309	0.5
97.02944	2.7
98.48097	0.6
99.00848	4.1
108.45820	0.5
114.32767	0.5
119.05018	100.0
127.04031	2.1
137.02438	0.6
141.01921	0.9
146.73073	0.5
155.03516	0.9
161.88686	0.5
163.04015	95.5
185.00932	8.3
190.60732	0.5
217.03496	1.3
227.60370	0.5
263.06793	0.6
286.71494	0.6
289.04379	0.6
319.17542	0.8
341.58197	0.7
379.07193	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76594	0.8
55.37012	0.8
56.03078	1.0
56.66810	0.8
59.01377	9.9
71.05018	7.3
71.10925	1.0
72.99303	0.9
75.00851	1.1
75.05971	1.0
76.54908	1.0
76.75684	0.9
83.05024	7.8
94.51707	1.0
95.05018	0.9
97.02945	1.2
105.38245	0.9
108.04517	1.2
109.02937	4.4
111.04511	25.8
113.06129	1.1
115.04006	100.0
127.04014	27.9
135.04500	1.1
135.71107	1.1
137.02504	7.5
141.05612	1.4
145.01448	1.1
147.04521	14.9
152.03558	1.2
155.03496	24.6
161.02428	5.9
171.03041	1.2
171.10222	1.1
199.02502	18.4
201.11292	1.1
217.03534	5.6
220.39743	1.0
231.05101	27.4
249.14842	1.8
287.43814	1.2
341.19727	1.9
343.21341	18.4
347.07761	20.9
379.21417	1.8
391.81183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72496	0.7
59.01385	10.3
65.14509	0.9
65.46487	0.8
71.01383	4.4
76.05843	0.7
82.02980	5.4
83.01375	1.4
85.02963	0.9
89.02438	5.3
97.34135	1.0
101.02443	4.7
102.80203	0.9
104.69072	0.9
113.02421	1.8
114.90202	0.9
119.03473	1.3
127.03985	1.3
136.04083	8.7
136.55589	1.0
152.03535	6.2
155.10773	25.1
168.06657	1.2
171.10257	8.8
176.07182	1.1
194.04584	1.2
199.02463	1.4
199.09824	5.0
200.07181	1.5
201.06731	6.8
202.05148	1.2
212.05679	2.1
213.11287	4.1
215.08374	1.1
217.03529	1.0
217.10835	32.9
226.07596	1.1
229.06215	5.3
242.08488	6.3
243.07785	10.9
247.07291	1.8
257.05606	3.5
257.09280	6.2
259.11661	3.8
267.07718	1.8
269.05722	3.4
270.06488	27.9
284.08032	1.0
285.08847	100.0
287.06741	10.2
301.08487	1.8
302.09235	1.2
317.11462	27.4
329.07724	2.1
335.12762	1.1
361.10449	5.0
379.11438	31.0
379.16147	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72496	0.7
59.01385	10.3
65.14509	0.9
65.46487	0.8
71.01383	4.4
76.05843	0.7
82.02980	5.4
83.01375	1.4
85.02963	0.9
89.02438	5.3
97.34135	1.0
101.02443	4.7
102.80203	0.9
104.69072	0.9
113.02421	1.8
114.90202	0.9
119.03473	1.3
127.03985	1.3
136.04083	8.7
136.55589	1.0
152.03535	6.2
155.10773	25.1
168.06657	1.2
171.10257	8.8
176.07182	1.1
194.04584	1.2
199.02463	1.4
199.09824	5.0
200.07181	1.5
201.06731	6.8
202.05148	1.2
212.05679	2.1
213.11287	4.1
215.08374	1.1
217.03529	1.0
217.10835	32.9
226.07596	1.1
229.06215	5.3
242.08488	6.3
243.07785	10.9
247.07291	1.8
257.05606	3.5
257.09280	6.2
259.11661	3.8
267.07718	1.8
269.05722	3.4
270.06488	27.9
284.08032	1.0
285.08847	100.0
287.06741	10.2
301.08487	1.8
302.09235	1.2
317.11462	27.4
329.07724	2.1
335.12762	1.1
361.10449	5.0
379.11438	31.0
379.16147	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.9
59.17716	1.1
59.91341	1.1
67.04488	1.2
71.01379	100.0
72.99302	6.4
73.02946	5.7
74.54415	1.1
83.01388	2.0
85.02946	6.9
89.02428	8.4
89.15240	1.3
92.22485	1.5
94.31098	1.1
99.00903	1.8
101.02444	25.3
101.06078	2.3
112.65030	1.3
113.02434	16.0
115.00354	6.6
115.04004	1.3
115.38838	1.2
119.03486	2.8
121.57269	1.2
121.65919	1.2
134.03745	1.5
161.04547	13.2
199.97943	1.4
263.11377	68.8
361.11365	13.2
379.12341	15.9
379.16605	2.3
388.20313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.0
71.01378	100.0
72.99295	14.0
73.02937	5.6
83.01385	1.4
85.02492	1.1
85.02944	10.0
89.02428	13.2
95.01322	0.9
99.00867	5.0
101.02440	23.8
113.02446	13.7
115.00380	9.7
119.03481	5.0
145.17679	1.3
161.04536	5.3
169.11345	1.1
191.05666	1.1
263.11365	52.9
332.02173	1.2
343.15970	1.1
361.11414	10.8
361.18539	1.4
379.12430	21.7
379.16678	7.7
379.20425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.6
71.01377	100.0
72.51592	1.2
72.99304	28.8
73.02941	4.9
81.19222	0.9
83.01362	1.7
84.98841	1.0
85.02940	7.7
87.00888	1.3
89.02431	14.0
90.78781	1.0
95.01440	1.2
101.02444	19.5
113.02469	12.8
115.00368	8.0
116.31329	1.0
119.03486	4.7
123.04514	5.3
135.04501	11.4
159.02951	1.7
161.04515	5.8
163.03992	5.8
175.15302	1.1
179.03473	14.3
181.05080	16.3
197.04575	30.6
217.10800	1.2
228.15543	1.3
263.11377	57.1
263.14197	1.9
361.11469	11.0
379.12408	20.6
379.16718	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82150	1.6
59.01383	39.9
71.01378	100.0
72.99306	8.2
73.02946	12.0
78.39520	1.8
83.01393	3.2
85.02950	11.9
87.18821	1.7
89.02439	42.7
99.00867	3.9
101.02451	28.7
113.02422	15.8
115.00355	8.3
119.03486	9.1
149.04532	3.5
161.04549	11.1
179.05614	2.8
220.91710	2.0
247.11821	4.5
263.08719	3.4
263.11371	66.1
275.75818	2.2
299.19287	1.9
301.07169	20.5
316.09610	2.6
331.11887	11.2
337.04712	2.3
361.11359	8.2
373.27896	2.1
379.12289	9.3
379.16434	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77128	1.0
60.32766	1.1
63.08611	1.1
84.93875	11.2
93.08669	1.3
93.35066	1.2
99.92577	65.6
100.80875	1.2
100.93363	19.2
113.47253	1.4
115.92075	22.1
116.92849	91.4
117.90531	1.2
152.48135	1.2
228.95052	1.3
275.27466	1.5
379.15851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98168	0.6
59.01381	5.4
71.01390	9.1
71.01738	1.0
71.05031	2.5
73.02944	2.9
81.03458	4.0
81.46922	0.7
85.02950	8.0
86.72795	0.7
89.02438	3.0
97.02940	15.7
99.00886	3.4
99.04517	4.3
99.09040	0.7
101.02437	6.3
103.54492	0.7
111.04491	0.8
113.02438	3.3
115.04001	100.0
116.07189	1.4
117.01913	1.2
127.04002	0.8
129.00157	3.0
130.08740	3.2
137.02438	0.9
161.04572	3.5
187.10890	6.0
250.99649	0.7
259.12866	0.8
276.49524	0.8
279.10880	13.4
289.14185	1.4
379.03580	1.1
379.12286	3.3
379.16565	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44614	1.2
51.96316	1.1
52.19062	1.1
59.01383	100.0
71.01376	72.5
72.99271	2.4
73.02943	8.5
73.03320	1.4
83.01397	2.8
85.02945	9.3
85.36605	1.3
87.00889	1.4
89.02441	91.1
95.01397	2.2
99.00903	2.1
101.02440	41.3
113.02443	25.2
119.03492	22.2
131.03496	11.7
135.64377	1.5
143.03508	2.0
149.04538	29.5
155.10771	3.2
157.08685	1.9
161.04572	3.1
179.05606	19.1
191.05701	5.6
199.09749	7.3
247.11876	16.5
263.11554	5.7
301.07095	2.9
319.13974	11.5
331.11829	2.4
379.16177	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1616
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01864	1.2
59.01383	59.1
59.01685	2.1
59.05125	1.0
71.01019	1.4
71.01384	35.3
73.02946	17.2
81.86819	1.1
81.92509	1.3
85.02949	7.7
89.02438	52.9
95.01392	5.0
99.00879	74.9
101.02444	23.8
113.02438	29.1
119.03493	10.0
131.03488	9.2
149.04546	16.4
161.04572	5.4
179.05589	1.8
191.05669	16.8
201.58757	1.2
222.96013	1.1
233.06650	2.8
251.25690	1.2
379.16156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98168	0.6
59.01381	5.4
71.01390	9.1
71.01738	1.0
71.05031	2.5
73.02944	2.9
81.03458	4.0
81.46922	0.7
85.02950	8.0
86.72795	0.7
89.02438	3.0
97.02940	15.7
99.00886	3.4
99.04517	4.3
99.09040	0.7
101.02437	6.3
103.54492	0.7
111.04491	0.8
113.02438	3.3
115.04001	100.0
116.07189	1.4
117.01913	1.2
127.04002	0.8
129.00157	3.0
130.08740	3.2
137.02438	0.9
161.04572	3.5
187.10890	6.0
250.99649	0.7
259.12866	0.8
276.49524	0.8
279.10880	13.4
289.14185	1.4
379.03580	1.1
379.12286	3.3
379.16565	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73372	0.9
59.01105	1.9
59.01381	36.7
71.01376	60.1
72.99302	17.1
73.02939	2.5
75.00849	1.4
83.01391	1.6
85.02937	5.3
87.00858	4.5
87.04529	2.2
89.02436	25.2
99.00899	1.3
101.02438	24.9
111.08164	1.2
113.02405	13.4
115.00331	2.7
119.03470	9.3
123.04475	8.5
135.04533	8.3
136.45624	1.2
138.92603	1.2
153.09169	7.1
161.04510	7.5
163.04039	2.5
179.03513	10.8
179.05481	1.2
181.05098	14.0
197.04590	23.8
199.09860	1.4
217.10808	47.7
243.33456	1.4
263.11368	34.1
270.46118	1.1
286.67230	1.2
301.07074	1.2
361.11295	5.9
379.12167	7.5
379.16180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57605	2.5
53.08060	2.1
53.36348	2.1
57.03435	3.2
59.01391	9.9
60.67505	2.7
61.42172	2.4
65.03965	44.3
69.03457	6.0
71.05016	36.5
97.06583	65.6
98.80688	3.1
107.98392	2.9
119.08647	3.9
121.06581	76.2
125.09722	44.1
127.03954	3.8
130.08704	38.2
133.06557	2.8
137.09747	6.0
139.90974	2.9
141.12837	3.4
171.10271	4.4
178.09171	2.9
184.67767	2.8
185.00873	3.3
185.11827	83.5
186.06087	2.9
204.10342	11.7
209.11865	28.0
211.13414	38.3
235.13388	71.1
242.61473	3.8
248.09288	17.7
289.18137	23.2
289.88867	2.8
307.19150	100.0
343.21036	3.5
379.17487	4.1
379.21555	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38771	0.6
59.01385	100.0
78.00512	0.6
85.02963	0.7
94.74679	0.7
111.04544	0.9
127.03989	0.7
155.03566	0.7
158.01816	0.7
193.60123	0.7
217.03525	1.2
231.05128	3.7
343.21240	4.9
379.20471	0.8
397.79483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2132
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
59.01382	3.6
71.05025	2.6
77.07864	1.5
77.28884	1.3
79.05512	2.9
79.95762	2.0
92.22459	1.4
96.95971	2.5
97.06582	9.7
107.05063	1.8
123.08184	2.2
125.09705	16.5
129.40764	1.8
135.08162	97.7
136.22089	1.6
138.94337	1.5
156.58752	1.7
156.71959	1.5
189.12842	1.8
205.15947	6.4
207.10484	2.4
209.11847	1.6
249.14972	62.8
263.16705	5.2
269.15363	2.0
271.37140	1.8
273.21585	1.6
287.16522	10.1
305.14035	3.2
305.17612	100.0
320.98593	1.5
324.10117	1.6
343.56540	1.7
355.49106	1.5
358.53687	1.7
379.21417	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73108	0.9
53.22955	0.9
54.90496	0.9
59.01384	13.7
59.92895	0.9
67.52168	1.0
76.32616	1.0
79.95722	1.4
99.42509	1.1
107.79439	1.2
137.68338	1.2
141.12823	1.5
155.10783	27.8
221.08563	9.4
235.44777	1.3
248.59061	1.4
279.23331	26.7
297.24405	100.0
312.47076	1.2
317.20987	8.5
319.22461	13.7
379.24692	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41302	0.7
59.01382	100.0
73.47116	0.8
79.08241	0.7
84.89841	0.8
96.96001	31.8
98.08073	1.0
100.78753	0.8
102.05610	4.7
107.93546	0.7
156.47401	0.8
159.04285	1.0
159.54803	1.0
287.20169	1.5
299.20435	1.7
299.25995	8.3
319.22699	4.4
379.21579	25.3
379.26050	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2495
Annotation	Membrenone A
Peak:m/z	Relative Intensity
51.17595	0.7
55.01871	4.3
55.05648	0.7
56.53354	0.7
60.16935	0.7
62.53148	0.7
62.93459	0.9
63.37371	0.7
78.17994	0.7
81.07089	9.7
83.05010	1.1
92.99303	0.9
95.91111	0.8
96.96008	1.0
101.06073	0.9
121.59280	0.9
135.11813	22.3
137.06107	1.1
179.10782	39.6
181.12306	1.2
197.11838	2.0
199.13420	51.4
223.09871	1.5
223.90666	1.2
250.96535	0.9
252.92676	1.0
277.18146	3.9
293.17618	4.4
341.40479	1.0
361.13419	4.6
379.24957	100.0
379.64490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67913	1.0
51.80982	0.9
52.27395	0.9
55.01885	1.0
57.66573	0.9
64.27626	1.1
72.40929	1.0
96.95968	2.1
101.06036	1.5
107.25343	1.1
107.82919	1.1
107.90133	1.0
151.14961	1.9
153.12909	2.3
163.11247	1.9
179.10777	2.0
197.11893	2.6
199.13426	5.5
249.18619	2.3
277.18176	7.0
293.17615	73.6
379.24954	100.0
399.26495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20339	0.9
54.58349	0.8
59.01382	100.0
59.42181	0.9
70.72599	1.0
90.67310	1.0
92.92065	1.3
96.96005	2.7
101.57533	1.0
210.91928	1.2
260.90295	1.1
299.20389	9.1
317.47125	1.3
319.22812	47.4
379.21411	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2493
Annotation	Aphidicolin-17-monoacetate
Peak:m/z	Relative Intensity
50.68477	0.7
59.01383	100.0
62.33293	1.0
64.88697	0.7
65.24000	0.8
65.59447	0.8
84.21394	1.0
96.96008	3.4
131.03661	1.0
165.54597	1.0
175.07730	1.0
183.98936	0.8
186.44453	0.8
275.95905	0.8
293.17630	1.9
319.14047	1.7
343.24927	1.3
379.25171	3.0
401.88599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2495
Annotation	Membrenone A
Peak:m/z	Relative Intensity
50.36734	2.4
58.92535	2.9
59.01382	15.8
73.02940	4.3
79.19112	2.5
85.02933	3.8
101.06084	12.1
103.04002	24.6
107.25649	3.5
115.66726	3.5
126.58702	3.0
139.11269	3.7
149.09721	38.6
167.10811	25.7
167.14420	15.2
171.10347	3.8
176.21330	3.3
181.12335	15.7
197.11783	11.2
211.13431	14.3
229.14403	6.5
235.17007	20.8
251.20119	7.5
275.20224	30.7
277.18079	54.9
288.02585	3.1
289.18149	20.7
291.23297	13.4
293.21295	83.5
295.19107	49.9
297.23288	4.4
333.24414	19.7
335.25732	3.6
343.22879	5.4
351.25394	6.2
361.23892	100.0
379.24796	78.1
379.28754	39.6
388.04230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42118	0.5
59.01375	2.6
73.44834	0.6
74.28506	0.7
75.45805	0.6
77.71965	0.6
101.02418	0.8
117.00830	0.7
127.80359	0.7
277.21750	100.0
295.22916	1.0
319.71765	0.7
379.28873	1.3
386.18130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2494
Annotation	Membrenone A
Peak:m/z	Relative Intensity
59.01383	1.7
82.36467	1.1
86.06235	1.1
87.01793	1.0
101.02446	1.2
148.61969	1.1
154.98131	1.1
189.68739	1.1
233.06519	1.2
233.19009	1.5
251.20169	46.3
255.23291	1.4
273.74719	1.1
277.18039	7.3
295.19159	100.0
379.24686	4.2
379.28842	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26370	1.0
54.71833	1.2
57.03448	1.4
64.94237	1.2
67.97101	1.0
73.89037	1.1
76.55553	1.4
90.55875	1.5
127.26086	1.3
142.52638	1.5
153.11598	3.2
153.12854	100.0
181.12357	70.6
181.13983	2.1
197.11859	74.6
215.10854	2.7
215.12891	66.1
236.12248	1.5
249.18626	2.0
251.20282	2.1
289.33649	1.3
295.19202	9.0
379.24835	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2855
Annotation	Persin
Peak:m/z	Relative Intensity
53.17195	0.6
55.77976	0.5
64.32069	0.6
66.69686	0.7
77.46954	0.6
78.41525	0.7
80.32455	0.6
84.93851	0.8
99.92604	1.5
100.93347	1.4
116.92861	2.7
127.78161	0.6
163.04143	0.6
261.18481	1.0
271.70374	0.9
290.91730	0.7
347.25949	11.7
379.15881	4.9
379.28558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29905	0.7
54.76360	0.6
59.01392	1.7
59.80411	0.7
62.96041	0.6
65.09890	0.8
84.93866	5.0
99.92577	43.2
100.93365	8.1
115.92074	13.9
116.92850	57.5
186.08493	0.8
194.07249	0.8
253.42322	0.9
281.24783	2.0
347.25998	13.8
353.68790	1.0
379.15857	42.2
379.28564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02309	0.5
72.09003	0.5
83.83203	0.5
88.22290	0.7
93.50420	0.5
134.16217	0.5
188.78511	0.7
281.24884	100.0
352.78448	0.6
370.21295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	5.9
59.01371	11.1
69.03441	2.6
80.03418	1.5
90.21317	1.2
96.96010	1.7
97.94731	1.5
160.11497	1.4
165.12802	2.9
168.13933	1.4
179.10760	11.3
184.23299	1.6
198.15007	8.3
199.13416	24.6
208.17122	2.5
209.07953	3.4
212.70439	1.6
292.26578	2.2
333.29196	21.7
344.25876	2.6
361.28558	10.8
362.27103	2.4
379.21802	2.9
379.25406	3.7
379.29663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0617
Annotation	2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one
Peak:m/z	Relative Intensity
56.08273	0.5
57.41063	0.5
65.43059	0.5
75.27271	0.5
78.95461	1.0
78.95907	26.1
83.36048	0.4
92.23214	0.5
96.96958	100.0
103.75690	0.5
106.69250	0.5
125.63382	0.5
133.01497	0.6
150.04218	13.6
214.26677	0.5
226.95036	0.5
282.05496	0.8
282.08496	11.1
380.06451	1.8
380.11322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62906	0.3
54.03769	0.2
54.94311	0.3
57.12806	0.2
59.01379	1.3
69.47160	0.3
71.01366	2.3
72.01731	0.4
85.02928	2.6
85.81525	0.3
87.00832	0.4
87.89915	0.3
93.03458	0.4
102.18085	0.3
104.92668	0.3
108.18011	0.3
111.04520	0.4
126.01987	1.3
127.04012	0.4
144.99715	0.5
173.04477	0.6
191.05624	100.0
214.03432	0.3
264.11713	0.5
310.52347	0.4
338.24445	0.4
380.07220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0758
Annotation	4-Hydroxy-6-methylpretetramide
Peak:m/z	Relative Intensity
59.01387	29.5
61.94449	4.1
63.94909	4.0
68.50193	4.7
71.01381	24.3
72.01707	4.4
78.88465	3.9
79.16921	4.2
82.02982	24.5
84.00906	7.6
85.02924	4.9
88.58949	4.8
96.00890	5.8
106.68365	5.1
115.03979	8.6
126.01956	71.8
134.03770	5.7
156.18802	4.9
200.07220	7.1
218.08255	10.4
264.11740	5.8
380.07553	100.0
380.12000	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0781
Annotation	Fumaflorine
Peak:m/z	Relative Intensity
59.81612	3.1
60.20475	2.8
78.39014	3.1
79.46367	3.3
86.51193	3.3
97.12409	3.1
137.41748	3.2
155.89827	2.9
205.05270	3.5
220.04056	12.8
233.04845	100.0
234.05617	5.7
246.05724	22.5
247.06366	5.5
248.03581	47.9
248.07184	21.9
249.04314	3.7
250.05008	15.3
261.04221	5.0
262.05109	56.8
263.05948	32.0
264.06607	4.1
276.03012	12.7
276.06635	5.0
277.03821	39.6
277.07193	4.7
278.04596	50.5
278.08209	22.4
280.06213	7.9
290.04593	29.3
291.05426	19.3
292.06174	46.5
293.07123	7.0
305.03427	23.4
306.04114	86.8
306.07764	27.4
307.08542	5.5
308.09323	13.1
320.05685	60.8
321.06458	33.9
335.07974	43.3
336.08813	71.7
381.06430	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64531	0.7
59.01386	13.0
71.01377	30.0
71.05003	0.9
74.61193	0.7
77.70207	0.8
85.02926	1.0
88.04055	4.0
89.02442	8.7
101.02428	10.3
113.02442	3.9
119.03452	1.2
122.95525	1.1
128.07167	1.2
144.07796	1.0
146.08229	71.3
161.04617	1.9
183.01260	2.2
308.13504	3.9
339.63144	0.9
360.56516	0.9
380.15707	100.0
384.02603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.9
59.01377	10.0
61.28225	0.5
63.62880	0.5
68.38490	0.5
71.01377	22.1
71.05000	1.5
85.02941	1.4
88.04032	3.2
89.02444	9.2
101.02441	8.7
101.03030	1.1
104.84903	0.6
111.57330	0.6
113.02418	4.5
119.03487	3.7
121.33952	0.6
126.09288	0.7
128.07161	0.8
142.32919	0.7
146.08232	69.6
161.04607	1.3
163.64383	0.7
200.09319	1.1
308.13556	4.1
380.15665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1565
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
59.01139	0.8
59.01389	12.6
60.75246	0.5
71.01379	31.3
71.05029	2.3
73.02950	0.8
85.02940	1.0
88.04041	4.1
89.02437	12.1
101.02444	9.3
102.01949	0.8
113.02455	5.5
119.03500	4.8
128.07172	2.7
142.58281	0.7
146.08234	81.5
161.04597	1.1
165.43013	0.7
181.26509	0.9
183.19423	0.6
200.09372	1.4
263.11722	0.8
263.83786	0.8
265.57654	0.7
308.13480	5.3
357.52036	0.8
380.15671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1645
Annotation	Xaliproden
Peak:m/z	Relative Intensity
56.82129	1.5
59.01379	55.0
59.44101	1.7
60.01710	4.6
61.01805	2.4
64.42675	1.8
64.70064	1.7
71.01375	34.6
72.01719	4.0
73.02940	10.7
85.02942	3.8
89.02439	51.7
89.02962	3.3
90.02770	10.0
92.23155	2.2
99.00872	40.5
100.01212	10.4
101.02433	19.1
102.02764	3.9
111.04513	3.5
113.02420	18.2
114.02781	4.4
114.45284	1.8
115.04005	2.7
119.03497	12.1
120.03851	3.5
127.04000	15.7
128.04361	3.8
131.03528	3.8
149.04597	6.2
150.04890	2.4
155.03477	11.6
156.03845	3.8
161.04530	2.4
165.78250	1.9
191.05595	8.7
192.05917	4.9
199.02472	10.7
217.03583	10.7
218.03931	7.0
226.77927	2.1
241.20384	2.3
282.11737	3.7
380.16464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82018	0.6
68.87823	0.6
79.95731	22.7
79.96185	1.1
80.96502	1.5
84.30943	0.6
95.36126	0.6
96.96000	1.3
113.09772	0.8
125.09687	3.9
129.09201	2.9
165.05885	1.2
180.79004	0.9
186.11353	11.9
193.05403	100.0
203.49065	0.6
208.54675	0.7
250.07555	3.9
306.04132	0.9
380.07687	1.4
380.17694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23383	0.2
66.08846	0.2
70.77664	0.3
85.19855	0.3
87.91620	0.3
93.29633	0.3
98.55647	0.2
101.02707	0.3
113.02666	0.3
124.56046	0.3
163.23964	0.3
183.80646	0.3
201.62392	0.3
322.18100	4.4
337.20511	12.6
350.17615	0.6
365.19806	1.1
369.19339	1.4
380.22333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76283	0.8
55.36394	0.8
58.02965	2.0
60.57244	0.8
70.27820	0.9
84.04544	12.3
91.52069	1.0
100.07705	8.1
102.05605	72.7
113.09709	9.2
114.72153	0.9
179.14336	1.8
188.24889	1.1
221.60625	1.2
280.19244	1.3
380.28131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83956	0.7
57.03426	0.7
58.02982	0.8
59.01371	2.1
68.08762	0.8
68.76868	0.7
82.40870	0.8
84.04543	13.9
92.88072	0.7
100.07684	4.0
102.05607	65.9
125.09727	3.8
125.76790	0.9
153.09277	1.0
184.13405	0.8
212.16553	1.0
226.18111	4.7
256.15588	4.2
277.21783	1.1
337.06992	0.9
362.27145	1.6
380.28125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26418	0.7
59.01385	100.0
71.46732	0.8
74.13990	0.7
81.71362	0.7
298.24860	1.0
318.05472	0.8
320.25644	0.9
391.45520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41066	0.6
51.79132	0.5
52.46508	0.6
57.03447	1.2
58.02992	1.2
59.01376	3.3
63.11957	0.6
84.04544	14.8
85.43877	0.7
96.96025	1.5
97.44642	0.7
100.07670	8.3
102.05606	75.0
113.09711	8.2
115.27831	0.6
179.14447	1.7
277.21640	0.8
280.19403	1.5
362.26920	1.1
380.28116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05128	1.4
61.12574	1.7
66.31573	1.5
72.04536	3.2
74.02469	100.0
93.29280	1.9
104.72431	1.8
115.74768	1.6
118.05141	3.0
126.41205	1.8
132.70679	1.8
193.27477	2.2
290.24899	3.2
292.26486	4.0
318.24463	25.0
318.27756	3.3
336.25482	39.5
380.28201	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3174
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
90.39613	1.0
103.31955	1.3
114.09206	2.1
116.07166	100.0
139.96805	1.2
141.54948	1.1
220.75462	1.3
226.74649	1.5
234.36987	1.3
336.32797	2.5
380.31763	72.4
381.05164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97642	1.2
72.99306	26.9
83.05021	35.4
111.04510	37.7
115.04013	18.7
118.37187	1.3
127.03998	91.2
129.05588	12.8
137.02437	7.8
140.24944	1.5
155.03497	66.7
163.54848	1.6
171.03000	3.0
173.04514	1.9
189.04092	3.5
199.02477	35.8
217.03535	100.0
235.04604	18.6
385.58524	1.5
386.79010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88266	1.2
55.21491	1.0
59.01379	3.0
63.88251	1.5
72.34487	1.2
72.99316	32.5
77.44050	1.2
81.03462	1.7
83.05029	37.6
93.03486	1.6
111.04523	37.4
115.04005	15.7
119.05038	1.7
127.04013	87.1
129.05597	9.6
137.02461	8.2
155.03513	70.4
160.01660	3.3
163.04118	2.2
171.02980	2.1
173.04510	2.9
175.04024	10.9
176.34758	1.4
189.04193	2.6
199.00778	2.3
199.02516	41.3
207.10321	1.9
216.23201	1.4
217.03552	100.0
227.26842	1.4
235.04616	14.8
272.90283	1.4
292.16315	1.3
337.15704	1.5
381.12338	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56411	0.8
59.01376	4.7
59.26507	1.0
71.01365	1.4
72.68701	0.9
72.99305	24.9
76.79771	0.8
81.03458	4.1
83.05020	37.2
84.75172	0.8
93.03452	2.0
101.02457	1.0
111.04520	34.3
115.03986	18.7
117.77663	0.9
119.05030	5.3
126.36471	1.0
127.04007	100.0
129.05573	10.8
137.02432	5.3
155.03499	65.7
163.04060	7.6
171.02962	6.3
173.04559	4.2
175.04010	1.1
189.04024	2.0
191.05759	1.1
199.00864	1.2
199.02483	43.2
217.03545	83.4
220.87202	1.1
235.04599	9.9
241.35487	0.9
241.86392	1.0
363.07242	4.7
381.08066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30075	1.1
57.35794	1.3
67.36525	1.3
72.99310	22.7
83.05026	26.0
100.25478	1.4
111.04517	32.9
115.04005	17.0
127.04011	79.1
129.05545	11.8
137.02496	2.4
155.03513	59.4
157.23018	1.4
171.03001	2.9
199.02486	26.1
217.03542	100.0
235.04591	14.5
290.09998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91662	1.1
72.99304	29.4
81.03468	2.5
83.05020	36.8
90.60014	1.2
92.22511	2.5
93.03430	1.8
109.69729	1.2
109.90996	1.2
111.04512	34.5
115.04006	18.1
119.04996	2.7
127.04008	88.9
129.05556	6.5
137.02371	6.1
155.03508	73.1
163.03969	2.1
171.02979	3.0
173.04607	1.6
189.04202	4.7
199.02498	27.4
206.26300	1.4
214.34352	1.3
216.14058	1.4
217.03539	100.0
232.80537	1.5
235.04588	14.1
338.41873	1.4
370.81454	1.9
381.08704	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70063	0.8
59.01383	100.0
59.29873	0.9
59.94612	0.9
64.44137	1.0
66.29339	1.1
68.99050	1.0
71.01385	16.0
72.37957	1.3
75.00876	1.1
85.02953	2.5
89.02439	19.9
96.00884	1.7
101.02423	8.8
103.00379	39.7
113.02434	7.4
113.04235	1.1
119.03470	5.3
137.02411	1.4
143.03470	1.3
161.04573	4.5
179.05595	13.7
230.41899	1.1
273.23248	1.1
295.10397	1.4
321.15625	17.5
337.11539	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59075	0.7
54.84795	0.8
58.53631	0.8
59.01383	100.0
71.01380	7.4
72.99290	1.3
79.22455	0.9
83.05019	1.6
87.00882	0.9
89.02460	1.9
91.69946	0.9
97.02951	1.8
101.02443	1.7
103.00378	27.5
107.79730	1.1
111.04519	1.3
115.03977	2.0
122.55140	1.0
127.03996	4.7
133.05060	9.8
143.83154	0.9
155.03488	4.1
187.06213	1.2
217.03479	5.0
226.29312	1.1
277.09259	4.1
295.10333	5.1
337.11438	52.3
337.15604	1.8
367.93344	1.4
381.10306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59075	0.7
54.84795	0.8
58.53631	0.8
59.01383	100.0
71.01380	7.4
72.99290	1.3
79.22455	0.9
83.05019	1.6
87.00882	0.9
89.02460	1.9
91.69946	0.9
97.02951	1.8
101.02443	1.7
103.00378	27.5
107.79730	1.1
111.04519	1.3
115.03977	2.0
122.55140	1.0
127.03996	4.7
133.05060	9.8
143.83154	0.9
155.03488	4.1
187.06213	1.2
217.03479	5.0
226.29312	1.1
277.09259	4.1
295.10333	5.1
337.11438	52.3
337.15604	1.8
367.93344	1.4
381.10306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70063	0.8
59.01383	100.0
59.29873	0.9
59.94612	0.9
64.44137	1.0
66.29339	1.1
68.99050	1.0
71.01385	16.0
72.37957	1.3
75.00876	1.1
85.02953	2.5
89.02439	19.9
96.00884	1.7
101.02423	8.8
103.00379	39.7
113.02434	7.4
113.04235	1.1
119.03470	5.3
137.02411	1.4
143.03470	1.3
161.04573	4.5
179.05595	13.7
230.41899	1.1
273.23248	1.1
295.10397	1.4
321.15625	17.5
337.11539	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66309	0.3
53.89288	0.3
60.19196	0.3
65.81907	0.4
71.24705	0.3
71.40092	0.3
86.56472	0.3
96.95972	0.4
110.06206	0.3
117.03450	3.0
134.03697	0.8
139.11287	0.4
146.11929	0.4
150.75725	0.3
153.12859	0.4
191.08875	0.9
193.05338	1.8
194.19969	0.3
215.08629	0.4
232.33946	0.4
260.08475	0.7
293.13507	2.9
337.12378	100.0
349.38770	0.4
381.11435	11.5
381.27780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Methyl-3-O-feruloylquinate
Peak:m/z	Relative Intensity
51.78933	0.7
53.47867	0.7
59.01378	5.9
59.45055	0.7
74.39910	0.7
85.02940	12.3
85.82425	1.1
89.22761	0.8
92.22669	1.0
93.03445	0.8
115.57413	0.9
127.04004	3.4
132.02234	1.9
134.03738	3.9
149.06029	1.6
160.00473	0.9
160.01642	51.6
173.04572	3.6
175.03998	100.0
193.05124	1.0
291.93234	1.1
311.17780	1.0
324.70279	0.9
337.11426	1.6
381.08044	1.6
381.11966	45.2
381.17212	1.7
395.81647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1196
Annotation	Ningposide A
Peak:m/z	Relative Intensity
72.16145	0.9
73.93754	0.7
75.29497	0.8
85.02950	3.3
98.17609	0.8
99.68188	0.9
117.03473	1.6
127.03998	1.3
133.02940	1.6
134.03746	100.0
149.06078	32.2
160.01703	10.4
173.04489	1.0
175.03996	22.4
179.03481	3.3
193.05070	70.5
381.11960	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Ningposide A
Peak:m/z	Relative Intensity
51.62855	1.0
55.11571	1.1
76.96385	1.3
83.62296	1.0
85.02937	12.1
87.00856	1.5
88.00462	1.2
93.03457	2.4
107.89701	1.2
111.53597	1.3
127.04021	7.1
132.02068	1.4
133.03009	1.3
134.03746	66.4
146.50700	1.3
149.06079	30.7
160.01659	55.0
173.04500	1.6
175.04005	100.0
193.05074	42.8
221.91615	1.3
337.20316	2.8
381.11963	84.0
381.19028	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1197
Annotation	Ningposide A
Peak:m/z	Relative Intensity
56.92722	1.3
59.01390	10.7
72.99296	1.7
83.05044	1.6
85.02942	16.9
87.00861	2.2
93.03463	2.7
94.43455	1.3
105.18584	1.4
110.12276	1.6
119.19837	1.5
127.04006	5.8
133.02936	1.5
134.02721	2.7
134.03737	78.6
149.06088	30.3
160.01677	50.3
163.04134	2.0
173.04546	3.5
175.04010	95.5
177.01999	1.8
178.02692	2.2
179.03450	1.8
193.05070	53.0
217.03542	1.6
221.04411	1.6
245.61359	1.7
348.02567	1.7
381.11966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82074	1.4
59.01384	100.0
59.92418	1.2
66.06293	1.4
71.01376	14.9
72.99307	5.8
73.02937	10.8
83.01392	2.8
83.05048	6.5
85.02937	11.4
89.02435	2.0
97.56835	1.4
98.79358	1.6
101.02447	25.9
104.32088	1.3
105.04935	1.8
109.30897	1.5
111.04511	15.4
113.02435	11.5
115.04001	3.0
117.05574	10.4
119.05020	7.8
121.02972	7.8
127.04012	34.4
129.05620	1.8
137.02502	2.2
146.08281	3.2
147.38524	1.4
155.03497	22.6
155.52843	1.5
161.04604	11.9
163.03995	6.8
193.50420	1.3
199.02519	16.8
217.03566	19.7
217.08722	2.2
223.08252	77.5
261.07626	1.9
286.06693	1.5
287.89694	1.4
309.11044	1.6
381.12778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1461
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
59.01366	1.5
66.77418	0.4
79.13767	0.4
79.70431	0.4
87.00848	0.8
102.06653	0.4
103.03221	0.4
113.02444	18.7
152.99599	0.5
175.91331	0.4
176.10844	0.6
187.84203	0.4
217.00443	0.4
220.09758	0.9
223.64964	0.4
263.42300	0.4
266.10562	0.5
279.07660	0.5
280.08749	0.5
280.12320	0.8
281.13016	2.9
293.09357	9.7
294.10205	5.2
295.14484	4.5
307.10849	4.7
308.11682	5.3
323.14038	100.0
340.10498	0.6
381.14539	2.4
381.22906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10407	0.8
57.22365	0.6
59.04958	0.7
75.72980	0.7
77.02033	0.7
84.93866	11.8
86.05653	0.9
86.69660	0.8
87.42894	0.7
99.92580	50.4
100.92751	0.7
100.93369	18.4
115.92062	16.0
116.92853	94.7
130.77245	0.8
337.18375	1.1
363.16257	0.9
381.17435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12803	0.4
55.01877	0.9
57.03450	1.0
59.01107	0.9
59.01383	18.0
61.87679	0.4
71.01378	22.1
72.99317	7.3
73.02945	17.3
75.00841	0.6
81.03463	0.6
83.01390	5.0
83.05028	7.9
85.02949	13.4
87.00854	0.8
87.08130	0.4
89.02438	6.3
93.03434	0.8
95.01365	1.1
97.02945	0.7
99.00884	7.6
101.02440	40.2
110.11977	0.6
111.00868	0.7
111.04494	7.9
113.02441	15.7
115.03957	3.8
119.05034	2.3
125.02467	0.8
127.04006	21.2
129.01945	0.8
129.05539	1.6
133.03307	0.5
137.02405	1.0
137.79643	0.5
145.03032	0.5
155.03523	16.0
159.02963	2.6
161.04547	7.8
163.04018	2.6
164.97208	0.6
171.03009	0.9
173.04559	2.1
189.04129	0.7
199.02486	9.3
216.22604	0.5
217.03546	27.2
231.06764	0.5
235.04616	3.7
249.13449	23.7
254.19383	0.5
309.32034	0.6
381.17697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39046	1.3
52.36514	1.3
58.70943	1.6
59.01380	100.0
71.01376	38.2
72.99297	7.4
73.02949	7.6
75.00874	3.1
83.05028	8.7
83.32015	1.7
85.02941	11.6
89.02452	20.2
96.00890	2.4
99.00852	2.6
101.02433	27.1
105.22170	1.5
111.04507	8.0
113.02444	19.4
115.00368	2.6
115.03973	3.6
118.37672	1.5
119.03496	10.0
127.03990	18.3
129.05594	2.4
131.01723	2.5
133.01477	6.5
138.05536	2.3
143.03448	2.2
155.03522	13.9
161.04549	16.6
163.03891	2.5
199.02597	6.5
200.61981	1.6
217.03485	21.3
219.38126	1.9
235.04596	2.2
293.61298	1.8
321.15561	82.0
345.11383	3.6
381.08646	6.0
381.13425	2.5
381.17810	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32290	1.2
55.01868	1.2
59.01143	1.4
59.01384	20.8
59.87041	1.1
63.43826	1.2
63.89827	1.3
71.01381	23.2
72.99290	1.3
73.02953	15.2
83.01380	5.7
85.02952	11.8
89.02418	6.7
99.00869	11.7
101.02433	43.5
107.29702	1.4
113.02433	17.0
135.85518	1.4
161.04555	7.5
196.73279	1.4
234.31853	1.3
249.13484	30.9
256.16992	1.5
307.08142	2.0
315.79355	1.3
381.17685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40209	0.7
55.01872	2.0
57.03430	1.7
59.01377	27.7
71.01373	30.9
73.02943	22.7
83.01392	10.1
85.02945	21.7
89.02432	6.6
95.01376	4.4
99.00883	5.3
101.01772	2.1
101.02437	56.0
113.02446	26.2
131.03497	1.4
143.03493	1.4
158.81827	1.1
159.02983	4.5
161.04567	14.4
192.86475	1.1
205.60358	1.3
212.42577	1.2
249.13446	100.0
262.58997	1.0
286.73401	1.1
381.17694	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01390	4.5
72.64977	0.5
72.99300	2.5
83.05019	3.2
85.02966	0.8
99.04504	1.0
101.90140	0.6
111.04504	3.1
115.04005	0.8
127.04019	8.5
129.05618	0.8
134.03731	3.4
137.06036	0.6
137.09734	1.1
138.95856	0.5
140.11688	0.5
143.47462	0.6
149.06126	1.4
151.07657	0.7
151.53436	0.6
155.03520	7.3
160.01657	2.5
163.11302	0.8
165.09262	0.7
171.03006	0.6
173.04520	1.0
175.03983	5.3
189.09258	0.7
193.05103	3.0
199.02480	3.6
207.10281	10.6
207.71118	0.6
217.03537	9.5
237.11360	7.0
245.19101	1.1
257.18958	0.7
263.20148	0.9
268.05746	0.6
273.18671	1.2
275.20148	0.6
286.70148	0.6
291.19769	0.7
319.19098	0.9
337.20264	51.6
381.12296	4.5
381.19263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1923
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00588	0.4
67.35098	0.3
87.04513	0.4
89.36741	0.3
103.86050	0.3
113.06090	0.4
134.03732	4.0
135.08044	0.4
137.09695	2.3
160.01668	0.7
175.04012	2.3
193.05083	2.5
245.19063	2.2
257.19019	0.5
263.20065	1.2
273.18619	0.8
275.20270	0.8
291.19788	0.5
319.19189	0.7
335.18564	0.9
337.20242	51.8
381.11456	2.6
381.19223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	43.5
96.96972	3.6
102.05573	4.1
103.36349	0.9
108.60267	1.0
110.24078	1.0
111.04531	1.0
111.49503	0.9
114.73880	1.1
119.67352	1.2
134.03748	4.3
136.06538	1.0
152.99582	100.0
160.01720	1.1
167.01538	1.0
171.00623	1.5
175.03989	1.6
177.12817	2.1
199.13474	3.2
227.20174	5.3
295.19275	1.6
364.90338	1.0
369.47037	1.2
381.12494	1.8
381.20541	35.3
381.28040	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.205
Annotation	1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
Peak:m/z	Relative Intensity
56.45147	0.4
59.01388	0.4
62.06071	0.5
68.44363	0.5
71.87493	0.6
78.95901	41.5
81.84734	0.6
96.96012	0.7
96.96954	4.3
105.01920	1.1
150.97990	0.6
152.99586	100.0
171.00677	2.4
199.13365	0.8
213.21687	0.6
227.20232	4.3
248.28711	0.7
316.78287	0.6
350.15622	0.7
381.20535	39.1
381.25653	1.6
403.83444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.49932	0.7
64.52290	0.8
64.74747	0.7
72.72609	1.1
72.81936	0.8
81.88400	0.8
94.24688	0.8
104.19263	0.8
106.04243	3.6
108.35992	1.1
134.03651	1.5
136.05273	9.4
147.20256	1.0
159.45413	0.8
160.01634	1.0
175.03964	1.1
190.80515	0.9
192.34274	0.9
193.05011	1.0
243.17546	1.6
245.19121	30.6
261.18536	1.3
263.20178	65.8
271.17117	17.3
277.18109	26.2
279.19571	4.9
289.18118	51.1
295.19180	36.5
307.19177	100.0
363.12955	3.7
363.25266	1.9
365.18533	1.0
381.12119	2.1
381.22787	83.8
381.26718	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11005	1.0
61.98837	3.1
70.84359	1.2
78.54700	1.3
78.60348	1.4
78.95912	8.0
80.61327	1.4
92.22523	1.7
94.37273	1.3
96.96958	3.0
105.01920	8.1
109.06568	2.1
109.61130	1.5
114.38102	1.3
155.10796	3.5
181.12306	1.9
183.10297	33.9
183.13902	34.9
199.13377	3.4
211.13434	6.3
275.20242	12.4
277.18124	24.4
279.19565	3.3
293.21271	100.0
295.19156	29.1
363.12537	2.0
363.25394	2.7
381.13019	3.2
381.22653	40.0
381.26785	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96069	1.1
59.01380	6.7
64.05996	1.4
65.61429	1.2
71.35757	1.5
78.95917	2.2
83.48277	1.4
87.00874	2.8
89.38953	1.6
89.45176	1.3
92.51510	1.4
105.01930	28.0
121.10239	17.4
138.69371	1.6
140.11174	1.5
144.82138	1.5
152.99615	3.5
171.10258	28.9
195.13904	8.3
206.47815	1.8
223.13441	5.7
231.21103	2.3
275.20224	50.0
277.18170	2.5
293.21262	100.0
316.94846	1.6
381.18033	2.4
381.22858	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79564	0.4
55.19127	0.4
59.01375	0.8
79.95733	1.8
81.07915	0.4
81.23111	0.4
93.41692	0.4
96.96009	38.2
122.97592	3.2
152.99583	1.0
161.93204	0.4
161.96140	0.5
185.86601	0.4
244.24342	0.5
277.21799	0.6
295.22849	0.6
303.74304	0.5
307.19611	0.5
328.44662	0.5
381.23199	100.0
403.48923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.40997	0.5
76.02773	0.6
79.95729	2.6
96.95372	1.4
96.96002	33.8
122.97555	2.6
152.99675	1.9
199.13445	2.6
223.63722	0.6
227.78169	0.6
238.09077	0.6
277.60431	0.6
295.22589	0.7
297.24387	0.7
299.24994	1.1
381.23166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54518	0.3
59.01382	4.3
63.88002	0.3
67.37440	0.4
78.95902	0.4
79.95730	2.6
96.96002	35.9
122.97588	2.7
134.03787	0.6
152.99586	0.6
193.05122	0.5
199.13487	0.5
221.02472	0.4
255.90453	0.4
307.24829	0.5
381.23181	100.0
388.32385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02907	0.4
50.17308	0.5
50.79985	0.5
58.59491	0.5
64.96384	0.5
70.57680	0.5
75.05747	0.5
75.97021	0.5
77.24043	0.5
79.95716	1.4
80.73699	0.5
96.96004	38.7
115.37573	0.5
122.97548	3.6
141.09149	2.6
181.12321	1.3
189.47134	0.6
199.13403	7.2
237.15015	1.3
239.16533	0.9
255.15863	3.3
257.17599	0.9
273.54828	0.7
291.19659	3.1
345.24069	2.5
358.19534	0.6
363.25320	0.8
381.23004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40030	0.7
57.03437	3.7
58.02964	4.1
66.46645	0.8
68.66618	0.7
85.02924	1.7
104.05445	0.8
110.44392	0.9
111.08146	3.2
134.03740	12.6
136.07658	1.4
137.09744	3.4
139.11281	8.9
149.06053	4.7
152.10823	9.6
160.01614	6.2
165.12849	4.1
170.11868	20.5
175.04027	12.5
180.13933	14.8
184.26929	0.7
193.05060	6.9
198.15007	40.0
302.21307	1.2
319.23935	15.2
320.22131	1.4
337.25003	8.5
363.22864	1.9
381.11966	11.6
381.23978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52361	1.1
55.11276	1.2
57.46776	1.2
59.01383	100.0
59.24086	1.3
65.57655	1.3
66.53788	1.5
74.57404	1.1
78.13094	1.4
123.00665	6.3
154.86247	1.3
234.93262	1.5
261.79340	1.6
277.44815	1.6
299.25946	82.5
381.26279	83.1
381.31143	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85146	0.6
56.35067	0.5
60.60856	0.6
61.98824	1.1
76.82328	0.6
78.95918	1.2
88.20154	0.6
104.81847	0.6
107.09911	0.6
127.05119	0.8
145.06213	1.1
154.36078	0.7
170.05777	0.9
199.13542	1.5
233.19119	1.4
235.20677	1.3
251.20125	4.5
253.18179	0.8
254.82024	0.8
255.15955	0.8
277.18097	91.7
279.19641	28.7
295.19159	100.0
319.27301	1.0
350.70471	0.8
363.25455	22.3
381.26700	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29667	1.1
59.44193	1.0
77.10434	0.9
78.95922	1.3
80.03480	1.3
96.96944	1.7
134.03700	2.2
156.18649	1.1
160.01747	1.6
175.04059	2.4
193.05110	2.1
248.32628	1.2
251.20186	2.6
277.18118	94.6
279.19690	14.4
295.19177	100.0
363.12863	5.6
363.25412	10.9
381.12509	5.7
381.26578	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56751	0.7
55.70755	0.7
58.45953	1.0
68.24515	0.8
70.50751	0.8
71.45364	0.8
82.65336	0.8
108.62229	0.7
134.03732	1.6
153.13016	1.1
163.11290	0.9
165.12842	0.8
166.16313	0.9
175.03963	1.5
179.10759	6.9
181.12349	32.7
181.13953	1.2
193.05098	1.4
194.31883	0.8
195.10274	1.4
197.11865	1.4
199.13414	100.0
202.78728	0.8
208.61391	0.9
381.12094	1.2
381.22363	1.5
381.26541	21.6
387.58920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49119	0.9
54.38133	1.0
59.01363	1.3
62.02171	0.9
68.59766	0.9
77.92433	1.2
92.23145	1.3
105.69682	1.2
116.65211	1.2
123.89374	1.2
125.09662	1.3
134.03708	4.4
148.21120	1.1
149.06007	1.2
150.95784	1.3
159.87881	1.1
160.01703	1.1
163.11230	1.2
165.07108	1.2
165.12895	1.4
175.04013	1.5
175.62906	1.3
179.10753	10.8
181.12357	36.0
195.10229	1.3
199.13414	100.0
223.13402	5.4
265.18103	1.9
277.41418	1.2
299.09256	1.3
307.19226	8.0
363.25433	2.3
381.12247	2.8
381.26779	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25442	0.3
54.56367	0.3
59.01409	2.1
67.21953	0.3
71.01380	17.8
71.05043	0.6
77.96983	0.3
83.05054	0.5
87.00874	3.7
137.09714	0.5
138.06924	0.6
170.05806	0.7
171.10307	1.3
181.12308	0.6
197.11893	1.9
199.13435	0.7
209.15479	2.9
211.13425	1.4
223.17075	1.8
225.14989	0.5
228.10194	0.4
233.15492	0.7
233.19162	0.9
251.16486	3.9
251.20157	2.8
259.17014	0.4
277.18118	87.5
279.19696	13.7
291.19635	2.4
295.19168	100.0
309.20749	19.3
314.12921	0.4
321.20712	0.5
345.24353	1.7
363.25500	10.2
381.22604	5.8
381.26468	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
56.53502	0.8
58.63831	0.6
63.76575	0.6
70.37251	0.6
78.95911	6.8
79.22942	0.7
81.07096	1.6
85.06591	1.2
96.95959	1.7
134.03734	1.2
135.11792	10.2
152.99585	13.7
155.14424	0.9
163.11292	13.3
181.12325	7.2
199.13423	60.7
199.15305	1.9
211.04945	0.8
215.77719	0.8
233.02805	0.8
260.85590	0.9
277.17950	1.2
291.40231	0.7
295.19147	12.2
307.21048	1.1
381.21005	6.9
381.26492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.86044	0.7
66.54275	0.8
66.93468	0.7
70.99004	0.8
72.35079	0.9
78.95889	11.5
81.07084	1.9
84.27458	0.9
85.06566	1.2
120.14911	0.9
135.11789	12.3
152.99583	25.6
153.03204	1.1
163.11266	15.8
181.12320	5.7
199.13411	64.5
227.20000	0.9
277.18088	1.6
295.19165	22.3
345.24649	1.1
381.20789	7.5
381.26480	100.0
394.15344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
50.59215	0.8
51.53264	0.8
70.64421	0.9
71.22010	1.0
91.03680	0.9
111.04540	1.2
124.26702	1.1
127.03976	1.0
128.67349	1.0
133.78876	0.9
153.12851	10.5
165.09238	1.7
166.39073	1.3
181.12337	43.8
187.20943	1.0
199.13406	100.0
251.20158	32.5
252.37816	1.0
271.45599	1.1
275.23499	1.1
277.18137	6.0
295.19162	63.4
319.22668	1.4
381.26556	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
54.64053	1.0
77.96988	1.1
78.95895	23.5
81.23109	1.2
117.42278	1.1
124.47081	1.2
134.03770	2.0
142.85472	1.3
165.12898	2.2
193.05057	1.2
199.13454	2.1
206.82581	1.3
216.56200	1.5
244.06572	1.4
291.26904	10.2
301.25546	2.1
313.47418	1.4
319.26465	43.0
319.29953	2.0
321.24243	1.5
327.23544	1.6
335.25882	19.2
337.27408	2.4
345.24649	5.1
363.25403	32.1
381.13013	2.4
381.26651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31423	0.7
52.39808	0.7
61.91145	0.7
63.62281	0.7
68.06784	0.8
69.50117	0.7
119.94087	0.7
177.35211	0.7
184.26453	0.8
199.13379	1.8
233.19119	3.1
235.20773	1.1
251.20236	4.4
264.47220	0.7
277.18109	100.0
279.19681	26.3
295.19159	95.4
302.13367	0.9
363.25394	20.0
381.26505	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97338	0.6
69.86548	0.5
73.10225	0.6
81.31394	0.6
85.97468	0.6
148.82941	0.6
153.12856	4.1
163.11314	1.2
165.12889	5.9
173.80962	0.7
179.10777	9.1
181.12350	37.4
195.10168	1.2
197.11842	5.4
199.13414	100.0
215.13147	0.6
250.24023	0.7
264.58243	0.7
285.29208	0.7
297.33664	0.6
304.86630	0.7
321.57111	0.8
363.25357	5.5
381.26559	15.3
383.32553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62949	2.5
58.02985	7.6
70.02975	18.9
71.02522	3.5
78.95894	3.6
82.45753	3.4
82.65700	2.9
86.40844	3.3
86.68850	3.1
96.00900	24.6
96.96000	14.6
105.41325	3.1
113.03582	7.0
114.01968	28.0
123.95876	3.8
131.04623	18.5
134.03769	3.8
145.05783	3.0
243.25691	3.4
257.85583	3.2
262.25775	3.3
266.24911	24.0
292.26553	3.6
363.26575	39.5
381.23181	28.6
381.27582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	4.6
60.44380	0.5
82.80036	0.6
84.05254	0.6
84.55253	0.7
145.44606	0.6
157.24301	0.6
266.24969	3.8
277.25534	1.1
278.24850	3.3
319.27505	15.1
320.25958	10.8
345.22882	2.7
364.25006	6.6
381.27634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40583	0.5
58.02984	7.9
59.01374	3.7
69.20128	0.6
70.02975	1.1
70.82373	0.6
71.01376	1.2
72.99318	1.0
79.95737	0.8
81.80058	0.6
96.96007	1.1
97.06577	3.9
111.08147	1.4
112.19086	0.7
121.06575	1.4
125.09703	4.4
137.09697	0.8
159.08443	0.8
165.02226	0.8
171.10245	2.8
175.11267	0.9
178.43686	0.8
185.11859	3.7
193.12389	5.8
197.11819	2.7
201.11227	0.8
209.11810	2.6
209.15367	1.2
211.13426	1.3
221.08582	1.2
222.08914	1.6
225.14885	0.7
235.13405	3.3
266.24902	3.0
277.25366	1.1
278.24911	3.3
291.19611	2.5
303.23163	1.4
307.19131	2.5
309.20712	9.5
319.27567	12.0
320.25964	9.1
363.21875	1.3
364.24686	1.1
381.22986	8.9
381.27579	100.0
381.74493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06993	0.7
75.49770	0.8
93.04215	0.8
157.93530	1.0
176.18413	0.9
244.84967	1.2
333.31717	1.1
335.33252	63.6
363.32813	1.0
381.33795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
74.54636	0.7
79.41778	0.7
87.77966	0.7
113.35332	0.6
122.80489	0.6
209.85738	0.6
281.13852	0.7
333.31625	1.1
335.33249	67.4
363.32648	1.6
381.33780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58269	0.4
102.05591	0.6
117.03462	10.0
118.02974	3.4
135.04510	0.4
147.04523	0.7
160.00400	2.6
162.01987	6.8
190.01476	100.0
191.03496	8.5
296.06226	0.5
296.18683	0.5
308.05493	0.5
382.05597	2.5
382.09814	0.8
382.22391	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.0
87.56693	0.9
93.66546	0.9
121.63717	1.0
131.63293	1.0
135.04083	1.4
149.01210	8.4
149.02283	1.4
153.38907	0.9
162.01991	1.5
167.04974	1.0
175.04037	1.5
177.00668	28.3
178.01472	4.0
190.01466	10.0
249.04276	1.1
251.38425	1.0
278.08264	4.0
279.05435	5.1
280.06104	1.6
290.04700	7.2
293.03156	1.4
294.04376	1.0
294.07617	2.2
294.85596	1.1
307.04987	1.9
308.05664	7.4
320.09186	1.6
322.03665	15.3
322.07050	2.1
336.05151	1.3
338.10419	12.5
339.03857	22.8
352.08203	1.7
367.03363	100.0
382.05664	86.7
382.09460	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47086	1.1
64.13782	0.9
68.59060	0.9
71.86506	1.1
111.32314	1.0
119.53271	1.1
149.99580	1.6
168.38316	1.0
170.32294	1.0
172.74454	1.0
177.99075	51.6
178.99895	1.8
190.05106	100.0
199.88570	1.1
244.11488	1.1
281.81860	1.2
352.04709	4.7
382.05478	12.9
382.09399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44068	0.4
52.26684	0.4
57.44950	0.3
60.01441	0.4
60.31695	0.3
68.68064	0.5
68.95567	0.4
72.99291	0.8
111.04517	0.9
115.03995	0.6
127.03989	2.5
128.04315	0.7
155.03430	0.5
156.03813	0.8
175.02757	7.3
176.03531	100.0
190.01482	2.4
217.03510	1.2
218.03918	1.8
219.01782	0.8
220.02533	5.8
292.38092	0.6
338.08554	0.6
374.35843	0.5
382.07846	36.2
409.40100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77243	0.3
63.13795	0.3
72.99294	0.5
78.37437	0.5
84.71925	0.3
90.82279	0.4
90.98498	0.3
93.44238	0.4
96.79431	0.3
108.63529	0.3
113.65343	0.3
125.38571	0.3
127.04009	0.8
152.83063	0.3
155.03511	0.6
156.03944	0.5
175.02756	7.9
176.03532	100.0
190.01424	2.5
207.53632	0.4
217.03503	1.3
220.02498	5.5
225.24249	0.4
338.08755	0.6
382.07852	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32289	0.4
72.99304	0.4
75.69292	0.3
83.05003	0.7
83.24579	0.3
83.89152	0.4
93.39100	0.4
108.51271	0.4
120.04568	0.4
127.04011	1.4
128.04401	0.5
147.87523	0.4
148.04076	0.5
155.03500	0.6
171.72421	0.3
175.02736	8.4
176.03531	100.0
190.01465	2.6
191.59962	0.4
217.03427	0.7
218.04027	0.5
220.02617	4.5
267.16318	0.4
332.85413	0.4
367.53152	0.4
375.71088	0.4
382.07849	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05890	0.3
57.29509	0.4
65.49349	0.3
66.82195	0.3
70.82325	0.3
82.58995	0.3
83.57196	0.3
84.39417	0.3
118.01443	1.8
119.66843	0.3
148.04103	0.4
175.02757	7.3
176.03535	100.0
190.01414	2.5
219.01741	0.6
220.02539	4.6
252.97719	0.4
338.08777	0.6
382.07852	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0935
Annotation	Chilenine
Peak:m/z	Relative Intensity
52.64378	1.0
53.83646	1.0
68.99815	16.5
69.16476	1.1
86.02483	26.6
95.34624	1.2
116.34980	1.4
119.92812	1.2
141.94534	1.5
144.34465	1.2
183.04472	11.7
188.05106	1.3
195.08156	7.1
211.07732	2.1
223.07680	13.5
239.07121	6.6
267.06622	13.4
283.06155	100.0
295.06134	49.3
309.07913	1.6
332.01718	1.4
337.07266	13.3
339.08716	18.6
365.06696	30.9
382.09286	25.5
382.19144	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41643	1.7
67.44754	1.5
67.99450	1.9
70.32769	1.8
74.74958	1.6
82.45735	1.7
116.01554	1.8
117.03461	48.2
119.04979	4.4
120.04543	8.5
123.00892	3.1
129.35432	1.6
135.75890	1.7
147.04546	7.1
161.80441	2.0
175.02739	4.0
180.06679	2.2
181.05028	2.0
188.03519	23.0
189.00693	3.7
191.02115	4.5
191.03607	7.5
192.03053	3.8
204.03018	13.9
206.04619	33.6
219.05414	1.9
237.05707	1.8
265.05093	9.8
279.05441	12.2
280.06198	16.2
294.07767	9.8
306.04056	6.3
307.05502	2.4
308.05716	100.0
309.10095	2.2
322.07401	2.1
323.04544	4.6
323.08032	76.0
336.05325	2.3
338.06732	7.0
338.10391	47.5
339.08798	10.5
354.05869	3.2
354.09900	50.2
382.09460	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06200	0.6
76.23341	0.6
85.23776	0.6
133.98088	0.8
262.05090	1.1
263.05771	1.3
278.04590	4.8
292.06033	0.8
292.99979	1.5
293.03329	45.1
306.04248	5.9
307.04895	7.0
308.05679	39.3
310.73923	0.7
320.02048	3.2
321.02780	13.9
322.03650	2.7
334.03549	1.2
335.04236	1.4
336.05139	31.6
336.09009	1.4
350.06812	1.1
382.09363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0937
Annotation	Chilenine
Peak:m/z	Relative Intensity
59.57556	0.8
60.92687	1.1
62.15492	0.9
92.23116	1.2
101.43281	1.0
123.04565	2.0
134.03729	1.5
135.04071	1.3
142.03001	1.2
144.04559	5.9
161.02090	1.2
172.04076	2.0
176.04390	1.8
177.99092	1.2
193.01408	6.8
235.06323	2.4
250.05078	1.3
250.08577	1.2
252.06723	5.2
262.05106	4.2
264.06705	4.7
278.04767	8.3
278.07452	1.6
279.05389	14.3
280.06161	24.5
293.07010	1.2
294.07831	7.4
307.04880	7.6
308.05685	100.0
309.10107	1.4
322.07181	13.5
323.08026	40.2
337.09546	2.4
338.10413	33.1
382.12375	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02179	0.9
59.01384	1.6
70.93062	0.9
71.01370	11.8
115.00344	16.9
116.05074	7.6
130.06569	1.4
134.04733	100.0
142.06627	1.4
158.06090	13.1
162.07819	11.7
172.07710	1.4
174.05626	2.1
176.03546	9.1
188.07249	4.2
198.05692	1.6
200.07198	1.7
201.66881	1.2
202.05135	48.5
206.06854	33.7
221.10202	1.2
244.06212	10.7
262.07285	5.9
266.09045	9.0
322.05783	6.9
382.10571	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1009
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
56.63939	0.4
67.60494	0.4
71.01376	8.7
85.77473	0.4
99.40835	0.5
115.00359	13.2
129.43845	0.4
134.04729	100.0
153.51434	0.5
162.07851	11.6
188.05806	2.9
206.06845	28.1
232.04979	0.4
250.05818	2.6
266.08932	7.6
285.55389	0.5
317.73322	0.4
339.45663	0.4
359.26962	0.4
378.97897	0.4
382.10101	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96812	0.4
59.01373	1.1
71.01380	8.9
75.00866	0.6
87.00838	0.7
115.00356	13.1
119.03576	0.6
132.04526	0.7
134.04723	100.0
135.06726	0.9
158.06107	7.5
162.07880	12.0
169.79074	0.5
188.05734	1.0
202.05092	1.1
206.06830	30.6
250.05762	3.0
266.08899	7.2
382.10104	58.2
383.12582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42541	0.6
59.01391	0.9
61.37204	0.5
65.70930	0.6
68.99852	0.5
71.01383	8.4
89.70415	0.4
91.27390	0.5
107.03634	0.7
114.99587	1.0
115.00353	13.0
129.65549	0.5
134.04727	100.0
143.20045	0.5
146.83315	0.6
160.44899	0.6
162.07866	9.6
188.05739	0.8
206.06841	27.8
219.70822	0.6
232.04883	0.9
246.17188	0.5
250.05875	3.2
266.08899	6.9
281.20279	0.6
290.52667	0.6
382.10101	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43101	0.4
71.01377	8.3
82.20348	0.4
95.00706	0.6
107.03623	0.6
115.00354	12.3
115.04014	1.0
134.04726	100.0
142.51884	0.5
148.83267	0.5
150.61649	0.5
151.18864	0.7
154.67763	0.6
162.07846	10.0
165.90430	0.5
170.96965	0.5
176.03523	12.1
188.05872	1.1
206.06837	27.9
243.00226	0.5
250.05881	3.0
266.08990	6.3
267.38367	0.5
382.10150	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01379	10.0
62.88366	1.7
69.03460	2.2
71.01385	3.4
93.03423	2.4
97.02936	4.0
105.01950	3.7
107.03743	16.4
108.04544	22.8
118.02979	10.7
120.04568	2.8
125.02449	4.1
134.06062	2.5
137.02461	2.5
148.04050	2.0
148.07645	7.4
150.01949	4.2
150.09254	3.5
151.02765	37.0
152.03543	40.2
158.06099	3.1
160.07664	2.3
162.01973	12.6
164.03488	30.4
176.07164	100.0
178.05069	3.6
186.09267	11.2
188.07156	4.0
190.05133	3.6
191.05807	3.1
192.06696	16.1
194.08247	23.8
202.05124	11.8
204.06708	8.8
206.04527	10.4
207.05376	96.7
216.06725	2.4
218.04594	2.5
220.06131	76.1
230.08220	25.6
232.06256	3.6
238.07227	53.7
247.04945	7.5
248.05591	3.6
248.09277	20.9
260.05798	4.0
284.09317	8.4
292.08298	54.0
302.10410	9.1
334.09497	11.5
346.09402	35.5
364.10397	72.4
382.11551	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71253	2.7
59.01382	16.7
69.03452	4.0
71.01385	5.6
85.02961	4.1
96.90112	3.1
101.02422	3.8
107.03791	16.3
108.04537	26.2
118.02988	5.2
119.15563	3.4
125.02458	4.9
137.02460	3.6
148.04036	3.5
148.07689	6.3
150.01942	14.1
150.09326	4.0
151.02763	39.3
152.03537	37.6
161.04749	3.7
162.01962	14.1
162.05635	4.6
164.03526	29.2
173.83055	3.0
176.03606	3.5
176.07161	94.8
178.05049	7.2
186.09177	6.1
190.05092	4.1
191.05646	21.2
192.06712	4.6
193.06219	4.0
194.08238	27.5
202.05183	15.1
204.06726	4.0
206.04626	5.6
207.05370	100.0
218.04582	3.6
220.06161	71.1
230.08226	32.2
238.07249	54.9
247.04906	4.5
248.09276	21.3
260.05612	4.8
292.08359	47.2
302.10272	17.2
322.15973	26.0
334.09378	14.1
340.67285	3.7
346.09482	41.5
364.10464	74.5
382.11578	49.7
397.18283	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
65.26337	0.9
71.01372	7.0
73.02929	1.0
75.00864	14.5
79.79073	0.9
85.02939	1.3
87.00867	12.0
89.02434	3.9
101.02438	3.9
105.78931	1.3
113.02449	2.0
115.05503	1.7
132.04550	20.3
147.71935	1.0
158.06110	100.0
174.05663	4.5
202.05122	30.6
220.06210	6.0
237.06122	4.8
244.22141	1.1
249.06120	2.4
277.82880	0.9
295.40994	1.1
346.91467	1.1
382.11508	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56309	1.6
59.01382	3.4
61.49689	1.9
89.37150	1.8
92.22586	2.7
101.02461	2.6
106.74157	1.8
107.40128	1.8
117.05578	9.9
118.00661	4.3
118.01463	100.0
118.05892	2.1
134.04704	13.4
179.74289	2.0
186.85051	2.3
206.06908	3.6
324.17654	2.9
382.10153	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56309	1.6
59.01382	3.4
61.49689	1.9
89.37150	1.8
92.22586	2.7
101.02461	2.6
106.74157	1.8
107.40128	1.8
117.05578	9.9
118.00661	4.3
118.01463	100.0
118.05892	2.1
134.04704	13.4
179.74289	2.0
186.85051	2.3
206.06908	3.6
324.17654	2.9
382.10153	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71494	3.9
59.01378	22.9
71.01371	100.0
87.00891	9.5
111.90588	5.3
113.02437	5.7
115.47455	5.1
117.89478	5.3
126.01945	8.2
127.04028	7.2
132.04547	8.3
158.06114	56.0
176.03502	12.6
202.05136	12.8
218.03954	5.3
335.13492	64.1
349.84512	5.5
382.07098	11.1
382.11737	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2024
Annotation	Paxiphylline D
Peak:m/z	Relative Intensity
59.01384	14.7
60.01721	1.7
61.01801	4.1
64.66263	0.8
65.02362	0.9
71.87238	0.7
105.01924	5.3
106.02280	1.3
133.05333	2.1
171.15810	1.0
186.23466	0.9
186.48299	1.0
200.14447	4.0
211.66118	1.1
216.14006	9.4
218.15529	4.0
234.15002	25.2
244.13446	70.2
262.14493	100.0
272.00330	1.2
306.50278	1.0
321.23398	1.2
322.23666	4.0
364.19110	4.0
382.20285	99.5
406.82834	1.1
408.60831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90057	0.8
63.96178	0.8
80.71112	0.8
162.10481	1.4
163.11282	94.0
194.09529	2.0
194.96007	0.9
206.15506	76.4
231.56393	1.1
281.34067	1.1
318.82050	0.9
339.90332	1.0
382.27554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63134	0.5
70.77196	0.7
84.66471	0.6
145.61241	0.7
146.66957	0.7
162.10475	1.3
163.11292	96.3
164.19208	0.6
176.61227	0.7
194.09627	0.8
206.15518	63.6
288.57474	0.7
296.19479	0.9
337.21713	0.8
382.27557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2966
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
50.45263	0.8
60.70198	0.9
68.05057	9.3
69.03451	0.8
73.02934	3.4
84.04519	1.0
86.02475	1.1
88.04031	17.7
92.68925	0.8
98.06145	1.4
109.41861	0.9
114.05592	7.6
118.72210	1.0
130.05037	1.7
149.61572	0.8
231.09044	0.8
364.28415	1.3
382.29691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17805	1.2
58.02969	2.2
74.85580	1.7
84.04543	17.1
92.22511	3.6
98.19898	1.7
100.07693	9.8
102.05604	72.1
117.16380	1.6
131.14038	1.7
137.68863	1.7
139.51164	1.6
148.82596	1.6
162.05556	1.9
181.12193	2.5
182.17148	1.9
184.17018	2.0
199.13379	3.4
200.13753	4.0
212.16441	2.3
320.29492	3.6
353.24951	11.4
355.71890	1.8
382.29953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48354	1.1
52.35362	1.0
53.30758	0.9
59.01384	100.0
72.48008	0.9
75.37618	0.9
142.09270	1.1
149.32944	1.1
168.33784	1.1
189.38680	1.2
209.59467	1.0
259.53717	1.0
321.26929	1.0
322.27585	4.4
381.39133	1.2
382.25601	4.5
389.35950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72390	0.6
56.04396	0.6
59.01383	100.0
59.50802	0.8
61.96290	0.6
103.21108	0.7
135.36098	0.7
293.60382	0.9
310.91473	0.8
322.27713	1.0
345.42981	0.8
382.25500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0986
Annotation	Mandshurin
Peak:m/z	Relative Intensity
51.89836	0.4
53.91773	0.4
57.33006	0.4
59.01380	0.6
60.11577	0.5
62.44076	0.4
67.85289	0.5
72.99296	0.6
75.81866	0.4
91.18285	0.4
99.96682	0.5
102.07701	0.5
103.17849	0.5
117.01926	0.5
127.04012	0.7
134.03728	1.0
149.06052	2.1
177.05551	4.1
177.59251	0.5
193.05052	1.9
206.02194	0.5
220.03749	12.5
221.04561	100.0
379.53250	0.6
383.09866	35.3
383.20822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99724	0.8
59.01373	0.9
62.91875	0.8
67.70499	0.8
68.18577	0.8
70.08429	1.0
71.01376	1.4
85.02924	1.7
85.29144	0.8
89.02442	1.1
93.03468	1.1
99.64648	1.0
111.04509	3.3
133.02974	2.1
137.02480	0.8
150.03221	83.8
155.03532	1.1
165.05537	11.8
173.04567	4.6
177.05647	1.0
178.32867	1.0
191.03781	3.7
191.05621	100.0
194.02211	8.5
209.04559	82.7
209.07536	1.1
221.09354	3.3
225.90395	0.9
237.99817	0.9
383.09882	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.3
71.01417	2.6
78.95896	3.3
87.04485	3.4
89.02419	2.9
96.95954	2.5
107.09308	2.1
109.02906	2.9
116.19062	2.2
117.01943	52.6
117.03462	4.3
134.03732	100.0
141.01884	3.7
149.06068	20.4
151.04068	3.2
165.11093	2.6
175.04018	28.2
176.04881	5.0
178.02719	4.0
187.09793	3.2
189.04018	5.8
191.07152	10.4
192.04237	2.5
193.05070	99.3
206.05986	3.4
207.05104	23.1
217.05118	5.7
221.08257	4.5
225.70143	2.8
265.07245	37.0
315.65298	2.4
333.68015	2.4
383.09625	41.3
388.23990	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10376	0.5
54.82030	0.4
59.00416	0.4
59.01379	10.9
71.01384	0.5
75.75355	0.4
85.02944	1.2
87.00868	0.6
93.03432	0.6
97.47314	0.5
111.06719	0.5
124.22626	0.6
127.03996	0.8
133.02998	0.7
141.05508	0.5
150.03238	0.8
158.96268	0.5
161.02437	100.0
173.04631	0.5
191.05620	82.2
209.04448	0.7
277.30280	0.5
281.04459	0.5
383.09668	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66791	0.3
58.10960	0.4
59.01380	5.0
71.01379	0.7
78.75462	0.4
85.02935	3.1
93.03446	0.9
127.03988	0.9
134.04744	0.6
150.03210	1.0
161.02437	30.2
165.30791	0.4
166.04790	0.4
191.05624	100.0
229.01300	0.4
383.09814	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04958	0.8
58.89981	0.7
59.01364	1.6
67.44032	0.6
71.05009	0.9
85.24765	0.7
87.80982	0.6
91.04016	0.7
94.25204	0.7
98.38343	0.8
105.56745	0.7
109.02925	1.2
125.06008	1.0
127.03999	7.1
147.08138	1.4
148.05354	0.8
151.03944	1.1
152.04779	2.9
167.03560	1.2
173.06000	2.7
197.09720	1.3
209.15408	1.2
222.06418	0.8
235.17175	0.7
239.10783	1.8
241.08658	6.1
242.09520	0.9
245.08238	7.9
251.16539	1.0
255.10265	3.8
257.11847	3.5
259.09653	1.5
283.09778	40.6
286.08484	0.8
291.19644	1.6
301.10828	100.0
309.20728	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39690	0.5
59.01377	2.9
71.01375	0.9
76.14590	0.6
83.01382	0.6
85.02946	2.6
87.00865	0.8
89.02416	1.4
110.39574	0.5
121.73392	0.6
158.90392	0.6
191.05634	100.0
199.43996	0.6
225.31219	0.6
300.39114	0.8
383.11960	1.2
395.25128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	0.4
85.02955	2.0
109.59645	0.6
127.04016	0.7
140.22153	0.6
191.05623	100.0
219.51535	0.5
257.66995	0.6
260.61578	0.6
327.71017	0.5
346.38477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.12
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88708	0.7
65.86334	0.9
67.69100	0.8
72.99303	1.0
76.91083	0.8
82.45573	0.8
85.02959	2.1
89.54695	1.0
93.03470	1.3
126.25669	0.9
152.95917	1.9
170.97089	1.7
173.04515	1.4
180.53267	1.0
191.05630	100.0
239.88414	1.0
382.97955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78011	0.4
59.01385	0.4
59.62305	0.4
79.81038	0.4
85.02950	2.4
87.00852	0.6
87.87901	0.5
88.44637	0.4
92.22457	0.6
105.84171	0.5
127.03986	0.8
145.15254	0.5
172.07315	0.5
175.97824	0.5
191.05634	100.0
326.09351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
51.26043	0.5
51.75390	0.5
53.65884	0.6
59.01383	3.2
61.50609	0.5
71.01055	0.8
71.01386	11.0
71.87009	0.5
73.02963	4.4
83.01396	2.4
85.02939	6.5
87.30805	0.5
92.02673	0.7
93.03453	19.5
95.01374	1.5
99.00860	1.0
101.02426	11.2
101.06071	4.5
109.13265	0.5
111.92592	0.6
113.02447	8.0
121.02934	1.1
123.63480	0.6
131.66716	0.6
136.01680	4.3
136.69124	0.7
137.02444	83.6
159.02995	0.8
161.04538	2.3
164.14449	0.8
167.26491	0.7
182.63908	0.7
191.03642	0.8
199.98802	0.6
216.43704	0.6
221.11827	1.1
281.06674	3.0
376.53030	0.7
383.13535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45219	1.1
56.95882	1.2
59.01382	100.0
59.66811	1.2
71.01380	15.4
71.05054	1.6
72.99300	1.3
74.02424	1.3
75.00873	1.3
87.00864	2.4
96.95986	1.9
113.02412	2.3
115.00353	17.4
117.66802	1.4
120.38532	1.3
125.58681	1.4
133.01425	24.4
161.13422	1.7
163.11293	2.1
163.94774	1.4
167.03531	2.1
179.07021	1.8
205.12444	1.6
221.62051	1.6
223.13397	49.7
260.67969	1.9
267.12411	84.0
289.24527	1.6
383.13263	11.0
383.20779	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1352
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
53.29320	0.2
59.01369	0.5
60.61067	0.3
61.07948	0.2
62.95892	0.3
91.32923	0.3
93.03451	26.1
102.91837	0.3
137.02444	100.0
148.45793	0.3
171.49425	0.3
173.10081	0.3
188.28360	0.3
191.80766	0.3
202.88141	0.3
328.90289	0.4
383.13684	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21715	0.7
52.79390	0.6
78.95899	58.0
80.74188	0.6
83.11199	0.7
96.96947	1.6
109.12613	0.7
139.03876	0.9
152.99577	100.0
159.50337	0.7
171.00607	3.0
229.14488	1.4
291.69519	0.8
301.04892	0.8
324.92535	0.9
383.14841	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04717	0.9
56.72943	1.1
59.01386	1.7
66.20784	0.9
68.30225	0.9
69.04553	1.1
78.95901	57.8
78.96368	2.0
83.95518	1.1
96.96962	2.4
137.02449	1.1
152.99582	100.0
161.54753	1.1
164.04886	1.2
173.17828	1.0
229.14499	2.0
249.11069	1.0
286.84842	1.1
359.20630	1.0
383.14865	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
62.10986	0.6
67.61857	0.7
78.95905	100.0
83.08916	0.7
85.02989	0.7
91.83963	0.7
92.23215	1.1
96.95992	0.8
96.96964	3.9
97.42393	0.8
114.13786	0.8
122.65551	0.8
152.99591	81.6
171.00641	1.0
211.13371	1.5
224.93359	0.8
229.14453	3.2
255.18692	1.0
283.84882	0.9
302.14792	0.9
383.14780	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1899
Annotation	Bortezomib
Peak:m/z	Relative Intensity
69.64698	0.7
84.93836	7.5
92.46694	0.7
99.92581	55.7
100.93356	15.3
115.92073	22.4
116.92851	100.0
119.41824	0.8
253.25305	1.5
273.47144	0.8
339.20044	1.3
353.17767	1.2
371.19061	0.9
383.18997	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20218	0.4
59.01358	0.8
65.19593	0.4
83.91027	0.4
94.43449	0.4
126.55766	0.4
136.03691	0.4
138.66840	0.4
153.01788	0.5
206.19205	0.4
225.58185	0.4
249.62138	0.4
271.22900	0.8
301.21762	100.0
356.17645	0.5
383.22131	32.7
405.72025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72532	2.1
59.01385	37.6
63.93388	2.1
64.05274	2.5
71.01389	2.3
73.33276	2.5
161.71571	2.5
180.25175	2.5
217.32062	2.7
233.37602	2.5
257.22736	18.6
289.50034	2.6
301.21741	95.0
383.22067	100.0
383.31619	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70847	0.6
59.01382	100.0
64.92791	0.7
67.70402	0.6
67.86140	0.8
98.44047	0.7
110.89359	0.7
115.93819	0.7
152.10837	1.0
154.02884	0.7
170.11864	2.9
198.14903	1.2
208.02144	0.8
249.94107	0.9
277.22812	1.6
280.31482	0.9
289.73099	0.7
305.22589	1.3
309.04184	3.5
323.23434	37.2
324.06400	5.4
383.07669	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
86.69046	1.4
88.47023	1.8
100.40300	1.5
113.49417	1.5
135.43277	1.4
176.61745	1.5
253.20746	2.1
277.18143	22.0
278.18442	40.9
279.18716	90.1
280.19998	10.6
281.20242	29.4
295.19150	14.6
295.22787	13.3
296.19522	37.8
297.19766	100.0
303.35294	1.6
365.26071	35.6
383.27298	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.9
76.14957	0.7
83.06123	1.8
84.04514	1.0
91.46603	1.0
92.23117	0.9
98.44242	0.7
101.07198	7.6
101.96703	0.9
109.04063	5.4
127.05125	41.2
128.03534	6.6
128.28844	0.8
145.06178	38.6
184.01527	0.8
188.13782	1.0
236.16078	0.8
237.22331	3.3
254.24901	29.5
254.27377	1.5
280.26376	1.4
321.29111	42.6
328.59396	0.8
365.28299	4.1
383.29196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88062	0.9
51.95749	1.1
56.06900	0.9
58.02996	8.6
59.01389	1.0
60.86047	1.1
65.66239	1.2
69.64213	1.0
70.02978	18.1
70.98295	1.2
87.05637	2.6
96.00922	20.4
113.03579	12.7
113.26991	1.4
114.01962	24.8
131.04620	18.4
154.22302	1.4
244.04417	1.4
268.26495	40.2
285.80881	1.4
294.28128	2.6
337.34668	4.7
365.28165	34.8
365.32553	1.4
383.29218	100.0
383.34747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	9.7
64.01904	1.0
66.45478	1.0
66.98442	1.5
89.08530	1.2
112.06959	1.2
145.65794	1.2
153.76408	1.3
154.37709	1.5
173.05765	1.3
284.01132	1.6
311.47864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
78.32218	1.6
78.45432	1.6
80.06106	1.4
81.16252	1.4
87.62106	1.7
90.98643	1.5
93.11578	2.1
112.37485	1.8
140.69081	1.4
152.82137	1.4
157.67702	1.8
157.68935	1.9
323.29547	14.2
341.30499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84685	1.0
84.37760	1.4
105.27978	1.2
225.48242	1.3
267.23282	6.0
321.31653	100.0
339.32635	2.6
353.69089	1.3
365.30603	27.4
383.31711	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00299	1.1
56.74297	1.0
57.02906	1.0
76.56771	1.2
97.63066	1.3
99.08171	6.8
104.39239	1.3
127.07676	15.1
144.78683	1.2
145.08696	51.7
164.67642	1.2
255.23308	100.0
256.33698	1.3
383.31741	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0729
Annotation	Aristolochic acid IVa methyl ester
Peak:m/z	Relative Intensity
53.41625	2.0
59.01397	2.7
61.49701	1.7
77.21897	2.2
81.03433	2.3
108.02133	3.3
109.02947	19.9
136.01654	3.6
137.02437	28.3
161.60422	2.0
165.01897	4.2
200.03514	2.6
204.53943	2.2
233.79028	2.3
237.05591	5.4
239.07085	3.2
253.05127	2.8
265.05038	13.5
293.04547	12.4
295.06140	3.2
297.92947	2.5
301.34280	2.7
309.03888	2.7
311.05652	14.1
312.25604	3.4
321.04108	2.6
338.06714	4.0
354.06580	3.4
356.07510	3.4
366.06015	18.2
384.07272	100.0
384.12097	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.3
63.99565	2.6
66.19645	2.9
68.99815	30.5
78.95917	3.0
86.02460	24.5
89.74199	2.7
150.69757	2.9
151.03999	6.9
160.04031	3.3
163.00375	11.8
177.01923	4.9
191.03493	77.4
217.13693	3.3
254.08246	5.3
269.08084	4.2
282.45703	3.2
285.07596	22.4
294.04022	5.3
297.07745	15.7
298.07339	13.9
308.05719	6.3
310.03702	5.6
310.07208	12.9
314.07272	3.5
326.06693	10.0
339.08713	60.8
340.08237	6.1
341.10095	16.2
356.11398	47.7
367.08252	84.0
369.08777	3.3
384.11078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08670	2.0
59.01384	3.0
61.98849	2.3
63.56955	2.4
68.99812	9.4
81.03475	2.5
86.02471	83.5
89.53456	2.0
90.36783	2.1
92.16183	2.1
108.02168	4.3
109.02934	15.4
110.00066	2.2
125.02404	4.5
136.01691	3.3
137.02440	33.4
137.99557	4.0
145.06624	2.9
149.99605	2.8
151.00380	4.3
165.01950	4.0
171.04533	11.0
173.06128	2.7
183.57585	2.1
199.07675	3.0
200.03387	2.4
221.06001	2.8
227.07129	2.7
237.05499	5.5
241.08638	4.1
243.06638	40.1
254.05869	11.6
255.06642	76.5
265.05127	5.2
267.06561	10.8
283.05945	3.2
285.07709	100.0
293.04623	9.2
297.07703	48.3
309.03998	3.6
311.05603	12.1
321.04163	3.8
323.05539	2.8
339.05017	3.1
343.48627	2.5
344.21280	2.8
366.06177	17.8
367.08319	12.7
384.07135	60.9
384.11072	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77195	0.8
67.53120	0.7
71.38598	0.8
84.82565	0.9
90.19996	0.9
92.19860	0.8
92.22427	1.4
134.00090	1.7
149.01149	1.2
161.99544	1.7
162.02051	1.0
163.00381	1.4
177.00641	1.9
178.01512	1.8
181.54195	1.0
190.01424	9.2
191.02281	1.8
205.03731	1.3
206.00952	3.9
206.04630	12.4
218.00943	6.4
234.04062	5.3
237.02768	4.4
289.42783	1.0
295.04803	1.5
298.07181	1.3
311.04160	1.6
313.09561	5.7
325.06305	1.0
325.09613	6.5
326.06757	14.1
341.09070	75.2
354.06253	11.6
356.11426	15.5
368.07681	1.2
369.08560	56.3
384.10889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92108	1.1
58.31909	1.1
73.80954	1.4
93.03433	1.6
94.09322	1.5
107.05032	9.0
111.78918	1.5
116.93165	1.4
121.02906	2.8
123.00876	3.0
123.04501	6.2
133.02962	7.9
135.04526	60.2
137.02396	2.0
148.04126	1.6
151.00356	1.5
151.03955	5.7
161.02383	1.6
163.00368	38.8
163.04010	100.0
166.99887	7.2
168.12282	1.3
178.01357	2.1
178.02730	27.3
178.05122	7.6
180.06662	46.8
181.05069	18.5
184.85425	1.4
190.01471	1.9
190.05153	2.7
191.02231	17.1
193.01424	2.6
193.05080	28.6
206.04601	45.1
208.06194	28.9
225.86790	1.4
294.07651	1.5
328.11978	19.6
336.05069	15.5
338.00226	1.5
339.07452	7.2
340.08463	2.3
351.07681	1.7
353.05646	1.8
354.06232	7.6
354.09979	2.8
356.11404	61.1
366.09732	10.0
368.07883	5.8
384.06146	2.7
384.10934	73.2
392.26053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55696	62.6
57.11965	63.4
61.54177	66.8
68.31454	63.4
89.11757	62.1
90.48422	67.6
106.35462	68.1
114.84994	70.6
115.00783	72.6
117.29374	65.2
147.72350	69.8
150.47302	66.1
151.72173	69.2
152.04149	65.4
179.07230	100.0
228.47206	65.5
228.92992	72.2
297.23868	74.6
357.95102	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
80.59820	1.5
81.91508	1.4
83.67326	1.5
102.11877	1.7
120.25192	2.0
121.02925	1.7
137.02458	6.3
152.04823	11.9
212.12738	1.6
249.08092	2.4
249.88432	1.6
251.06085	1.9
254.12117	1.6
266.08371	2.9
267.09030	8.4
268.03275	1.7
268.06110	2.2
279.05408	5.7
283.08578	9.1
292.06302	1.8
293.07092	7.8
294.07779	16.4
296.05746	14.6
297.07712	2.8
307.08499	10.1
308.09338	29.4
310.07251	7.2
311.08051	58.6
325.09604	2.9
326.06363	2.0
326.10376	98.2
340.11993	9.6
341.12711	41.8
356.15088	100.0
369.12314	1.9
384.14633	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21371	0.3
58.39388	0.3
60.37847	0.3
66.76975	0.3
80.56991	0.3
97.02941	0.4
104.47234	0.3
109.06560	0.4
111.04497	1.6
122.81264	0.4
124.77063	0.4
135.04561	0.4
153.05576	9.1
165.05556	0.6
179.03513	0.6
185.09744	0.4
223.43787	0.4
239.10806	1.8
241.12404	4.7
243.07355	0.4
267.10309	6.3
283.09708	0.4
285.11356	100.0
298.54999	0.4
305.11490	0.4
384.14899	2.7
384.24496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
92.22504	1.8
105.21387	1.3
115.81741	1.4
138.88939	1.5
148.14514	1.2
157.46411	1.6
187.43559	1.3
234.47636	1.4
384.24524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64119	1.2
52.50849	1.5
59.01363	1.5
61.98817	2.1
62.07320	1.5
66.63453	1.3
80.94028	1.4
100.39449	1.5
231.17560	7.1
249.18625	100.0
269.50989	1.7
293.17621	85.0
337.16525	8.7
384.16504	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1817
Annotation	(+)-Kreysigine
Peak:m/z	Relative Intensity
58.03954	1.2
59.01379	13.0
84.24045	1.2
96.97345	1.1
155.24077	1.4
175.92709	1.3
177.09215	88.8
194.08237	79.7
208.95848	1.5
315.77673	1.5
384.18237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2182
Annotation	(+)-Stachyflin
Peak:m/z	Relative Intensity
52.54093	0.4
75.24738	0.7
79.31857	0.6
82.83124	0.5
103.73687	0.5
108.34162	0.5
114.25021	0.6
120.18746	0.5
124.04048	5.6
197.08136	0.6
210.67200	0.6
340.22815	3.2
348.22968	0.7
366.20914	2.4
384.21829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2762
Annotation	CHEBI:73062
Peak:m/z	Relative Intensity
56.23537	0.7
59.01384	2.0
62.68135	0.8
64.31555	0.9
70.63480	0.9
80.31767	0.9
84.04556	1.4
92.23093	1.7
102.05603	55.9
106.92879	1.0
123.24957	1.0
128.03531	58.2
142.64954	0.8
144.78510	1.0
146.04596	7.8
163.77078	0.9
165.70335	0.8
185.74663	0.9
251.95305	1.1
254.24969	7.1
255.23311	44.7
294.28268	2.0
296.29590	20.2
322.27612	1.7
334.74551	0.9
340.28632	8.3
366.26678	4.1
384.27625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05566	1.0
59.01382	100.0
60.23357	1.2
64.93532	1.2
78.87749	1.1
88.61786	1.3
92.22574	1.6
97.59041	1.2
122.93544	1.6
133.86143	1.7
197.55624	1.4
280.42999	1.4
381.31793	1.6
384.23373	5.2
384.27594	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56561	0.7
54.81823	0.7
59.01384	100.0
61.13727	0.7
70.82751	0.7
72.40975	0.7
74.90057	0.7
87.98762	0.9
110.76984	0.8
133.44168	0.7
158.06935	0.7
188.29080	0.8
200.09291	0.8
322.27661	1.0
324.28998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74775	0.9
59.01383	100.0
70.22662	1.0
73.11072	1.0
76.44739	1.0
157.21503	1.0
165.82672	1.0
189.16989	1.2
390.06833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68752	1.0
59.01383	100.0
62.22605	1.0
69.00443	1.0
88.07856	1.3
92.22443	1.2
100.72955	1.2
126.20145	1.1
214.84955	1.4
384.27942	1.4
391.50296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.50504	0.8
89.63081	0.8
94.00474	0.8
95.93049	0.8
107.03730	1.0
108.04556	20.4
138.86815	0.8
187.64336	1.1
384.24991	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93389	0.8
59.01385	100.0
64.63502	0.8
122.33105	1.2
138.97395	0.9
147.70325	1.0
159.32428	1.0
182.78146	1.0
203.09763	0.9
224.18207	1.1
395.04272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55328	0.8
70.21725	0.9
73.02942	24.5
75.87420	1.0
78.37957	1.0
81.03442	2.0
83.05016	7.1
85.02959	4.3
85.82281	0.9
91.91065	1.0
93.03452	64.9
95.63519	1.0
99.00886	13.8
99.04494	8.5
111.04510	38.5
129.01918	4.0
137.02441	30.5
143.03493	5.9
151.77623	1.2
152.95969	1.5
155.03516	19.4
160.77156	1.1
173.04555	100.0
177.78242	1.1
191.05647	4.1
193.06133	2.2
385.00571	2.4
385.05460	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00861	0.5
53.89942	0.5
55.01876	0.8
57.03453	12.8
58.07830	0.7
59.01385	7.9
61.53502	0.5
68.99832	0.6
71.01376	2.6
72.99306	0.8
75.00845	0.9
77.18005	0.5
83.01391	1.3
84.02188	0.6
85.02946	100.0
87.00869	1.2
89.02411	0.8
99.25211	0.6
101.02428	0.7
110.90678	0.6
111.00872	3.5
113.59602	0.7
115.00359	0.7
129.01930	6.5
134.03731	3.2
147.03015	8.8
149.02452	0.8
160.06761	0.7
161.04530	3.1
164.04776	2.5
173.00877	0.8
179.05649	2.7
190.02805	1.1
191.01996	32.2
193.05066	2.6
205.05046	1.2
209.03011	4.7
223.06181	2.9
328.89569	0.6
385.07272	6.4
385.11877	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40801	0.6
53.98363	0.6
55.01878	0.9
57.03457	10.6
59.01379	5.8
69.99233	0.9
70.62805	0.6
71.01375	1.3
79.43890	0.6
83.01411	1.5
83.51727	0.6
84.02180	0.7
85.02945	100.0
96.71835	0.6
97.34789	0.7
103.00395	0.9
111.00871	3.0
129.01930	6.9
134.03725	3.1
146.27643	0.7
147.03009	9.9
173.00940	1.0
191.01984	25.8
193.05042	4.0
209.02997	4.9
249.00600	0.6
302.18338	0.7
318.97794	0.7
367.06589	0.7
371.33237	0.7
385.07733	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59885	0.9
57.03453	10.5
59.01387	9.9
71.01388	1.2
77.75425	1.0
85.02947	100.0
87.00873	1.1
109.54925	1.1
111.00857	4.9
119.05024	58.4
129.01939	5.6
147.02994	11.4
163.04021	75.9
174.83406	1.1
191.02000	26.1
191.05666	1.1
209.03032	7.0
325.09320	4.5
385.07593	8.0
385.12021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25748	0.7
55.01885	0.9
57.03452	11.4
59.01385	8.9
71.01380	3.2
72.59475	0.7
83.01426	0.8
85.02945	100.0
89.02441	1.0
101.02434	1.0
111.00841	2.9
129.01961	6.1
134.03709	1.4
147.02989	10.2
151.03995	3.6
161.06013	1.4
163.04028	1.2
173.04567	1.7
191.01991	26.8
193.05083	1.7
209.02960	6.4
211.06161	1.7
226.65819	0.8
306.21814	0.8
341.12292	1.5
385.07388	7.4
385.11682	4.5
392.00516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
59.61857	0.6
62.51606	0.5
85.02979	0.6
92.22478	0.6
116.27849	0.6
149.02382	0.8
164.04820	4.4
165.27341	0.6
178.99893	1.1
185.42934	0.6
190.02757	3.0
205.05057	2.7
206.05862	1.0
206.99359	100.0
208.00151	30.9
222.01698	16.5
223.02496	15.6
223.06006	1.0
232.03896	0.9
242.61420	0.6
247.06169	1.4
281.76050	0.6
370.05356	6.5
383.64728	0.7
385.07788	57.7
400.38528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03456	9.6
59.01383	8.1
66.05705	0.4
66.12546	0.5
67.37606	0.4
70.06947	0.4
71.01363	3.9
75.00856	0.9
83.01389	2.5
84.02152	0.7
85.02950	100.0
87.00868	1.0
89.02460	2.2
97.21549	0.5
99.00863	0.5
101.02428	2.0
103.00377	0.9
111.00862	3.3
113.02485	0.9
115.00406	0.5
115.47591	0.4
127.67901	0.4
129.01939	6.7
130.06964	0.5
134.03764	3.2
137.06052	0.7
147.02997	10.3
163.66272	0.5
164.04787	0.9
179.07149	0.9
191.01999	31.8
193.05099	3.3
205.05121	0.7
205.12315	0.6
206.06000	0.6
209.03044	5.4
223.06093	1.9
223.09816	0.6
267.47812	0.5
317.02509	0.5
325.09430	0.6
367.06577	0.7
385.07727	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57149	0.7
57.03447	11.5
59.01378	10.4
68.99783	0.9
71.01373	3.2
72.99292	0.9
80.79356	0.7
83.01370	1.4
84.02145	1.5
85.02946	100.0
88.61465	0.8
101.02444	1.4
111.00867	2.0
129.01949	5.7
134.03694	1.7
147.02963	8.9
149.02457	1.2
149.06181	1.1
164.04796	6.5
168.70439	0.9
170.15805	1.0
179.07286	1.5
190.02745	5.7
191.01993	27.3
191.03648	1.2
193.05115	1.7
205.05084	10.0
206.05873	3.6
209.03038	4.2
221.08318	1.9
223.06171	9.3
265.07166	8.9
289.17172	0.9
295.08286	5.4
325.09283	10.1
385.07693	5.2
385.11938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	11.3
59.01383	5.4
60.29878	0.7
63.01120	0.8
71.01342	1.0
83.01382	1.1
85.02946	100.0
103.00356	1.6
111.00844	3.3
115.33199	0.8
120.06514	0.8
123.64406	0.8
129.01927	7.3
134.03702	1.9
139.58620	0.9
147.02985	8.7
153.43199	0.8
173.00940	1.8
191.00264	1.3
191.01990	31.7
193.05005	1.4
209.03072	5.0
278.68747	0.9
367.06332	1.1
385.07913	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82317	0.6
57.03452	10.5
59.01102	0.8
59.01384	15.5
66.99126	0.7
70.57011	0.6
71.01379	7.1
72.99286	0.7
73.02937	0.8
75.00875	1.0
76.35679	0.6
83.01388	1.3
84.02140	1.1
85.02948	100.0
87.78120	0.7
89.02462	6.2
89.70914	0.6
101.02429	3.8
111.00867	3.8
111.37768	0.6
113.02415	1.2
119.03477	1.1
127.57749	0.6
129.01955	6.8
134.03732	2.9
147.02982	8.3
149.06821	0.8
153.09207	1.3
173.00902	1.3
179.05498	0.7
180.15578	0.7
191.02003	29.0
193.05110	2.6
205.02083	0.8
205.12360	10.3
209.03021	8.1
264.24475	0.8
286.87091	0.8
385.07794	6.9
385.14575	1.1
385.18655	6.0
408.00583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03454	12.0
59.01387	5.6
69.18739	0.7
71.01389	1.0
71.61249	0.6
78.10604	0.6
85.02948	100.0
101.02451	1.1
111.00890	3.8
115.00418	0.8
119.05002	1.2
129.01965	6.2
134.03723	3.3
147.03006	9.8
151.06987	0.7
163.04016	6.3
191.01994	30.6
193.05078	1.6
209.02977	6.8
223.17827	0.8
325.69360	0.7
367.06955	1.1
385.07733	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03449	12.6
59.01376	6.0
59.24556	0.4
59.50038	0.5
66.27885	0.5
71.01379	1.2
72.99290	1.1
83.01368	1.1
84.02146	1.0
85.02943	100.0
87.00906	0.6
103.00359	1.0
111.00867	3.5
116.83698	0.6
129.01942	7.4
134.03735	2.5
147.02995	9.5
158.06696	0.6
173.01022	0.5
191.01991	26.8
193.05031	2.2
209.02971	6.0
385.07825	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0934
Annotation	S(8-O-4)Esculetin
Peak:m/z	Relative Intensity
50.36845	0.7
67.33995	0.7
78.95922	1.5
81.76297	0.8
87.87503	0.8
94.02773	0.7
96.96931	1.1
108.94062	0.8
129.28371	0.9
147.67876	0.8
153.01907	1.0
180.84488	0.8
209.47180	0.9
215.03442	1.0
240.04355	1.4
253.01523	1.3
255.06424	0.8
267.06653	1.1
268.03836	12.8
283.06131	11.4
284.03296	5.2
286.04776	1.0
296.03378	13.2
298.08615	3.2
299.05670	5.4
300.02811	2.0
311.05667	53.7
311.08899	1.9
313.00015	4.5
313.10834	23.6
315.05237	10.3
325.07123	1.2
326.08002	54.6
327.05060	6.2
328.02304	26.4
329.06845	0.9
330.07376	1.1
340.83347	0.9
341.10370	28.3
343.04633	27.4
353.30655	0.9
358.06992	47.5
359.11374	1.3
385.09332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81797	2.0
63.75049	2.1
65.19820	2.1
70.09303	1.9
142.94426	2.3
149.02426	29.1
164.04793	100.0
179.07127	27.9
206.99405	19.0
208.00182	4.0
208.03813	26.9
222.01715	3.5
223.06139	80.0
233.56908	2.2
286.93866	2.6
297.20386	2.8
324.96585	2.8
385.07761	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01861	1.2
57.03456	8.0
59.01376	5.5
60.20421	0.9
71.01389	1.0
75.00845	1.6
76.76196	0.9
82.96146	0.9
85.02946	72.9
99.84735	1.0
111.00857	4.1
121.02962	1.5
129.01962	5.1
134.03691	1.6
147.02985	6.9
149.02434	36.3
155.15526	1.2
164.04800	100.0
179.07156	26.4
179.08670	1.8
191.01994	24.3
193.01433	2.1
193.05072	1.1
194.25711	1.0
208.03761	32.1
209.02989	5.9
223.06134	92.3
225.62056	1.0
269.35965	1.0
364.94760	1.1
385.07449	2.2
385.11783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83870	0.9
59.01376	15.2
67.01901	2.3
71.01389	1.3
71.11036	0.9
85.44670	1.5
87.00866	5.6
90.98579	4.8
93.03453	26.2
111.00856	7.1
111.04515	11.2
117.54432	1.1
121.11147	1.0
131.40060	1.0
134.03679	1.2
135.90196	1.0
136.01657	15.7
149.06087	1.3
151.03993	100.0
152.87430	1.1
155.03458	2.5
163.48952	1.3
173.04541	30.0
181.07280	1.6
191.05621	52.4
211.06116	48.3
215.36624	1.2
233.06625	2.1
233.49109	1.2
246.99529	1.0
311.82739	1.1
342.97192	1.3
362.66232	1.3
367.10324	4.6
385.11469	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04911	0.9
59.01385	5.8
67.01882	1.4
71.01373	2.3
93.03460	14.3
102.35130	1.2
109.63145	1.1
111.04524	5.9
118.28420	1.1
136.01645	5.0
137.02414	2.0
151.04016	28.6
151.84079	1.3
155.03456	3.7
173.04555	100.0
181.22189	1.0
211.06154	16.2
222.40878	1.1
385.11456	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.93516	0.6
59.01382	4.2
60.99304	1.7
67.01886	4.9
71.01367	1.7
75.93144	0.6
83.46873	0.6
84.28676	0.7
85.02931	3.8
87.00870	8.8
92.22511	1.0
93.03453	43.1
99.04527	0.9
102.85362	0.8
110.66666	0.7
111.04506	8.9
113.02472	0.8
127.99120	0.8
129.01955	1.3
136.01659	3.8
151.03996	21.1
155.03578	2.4
163.70117	0.7
173.04553	29.1
191.05634	100.0
198.11392	0.7
206.99373	1.8
211.06161	4.7
224.09747	0.8
233.06654	3.5
264.15775	0.7
325.91589	0.8
367.10483	1.5
385.11478	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67860	0.6
58.72528	0.6
59.01376	3.7
78.91382	0.7
79.16039	0.7
87.51997	0.7
89.02460	1.1
91.82603	0.7
93.03423	0.7
119.05019	68.4
163.04013	100.0
185.16658	0.7
191.05640	1.8
205.12225	0.8
228.59030	0.7
270.66299	0.8
325.09317	6.2
353.25739	0.8
385.11978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.10167	1.1
57.03457	1.6
59.01383	21.6
71.01382	12.7
85.02947	26.5
89.02444	9.9
101.02433	3.5
113.02438	6.4
113.30518	1.5
141.47131	1.4
142.97366	1.5
147.02959	1.6
149.02419	12.6
163.04018	1.8
164.04805	42.0
174.80205	1.4
175.00414	3.4
176.04771	2.5
177.05560	1.9
179.07149	12.5
190.01022	2.6
190.02725	63.1
191.01935	7.0
191.03552	7.0
191.05603	8.1
191.07158	2.2
204.04301	1.9
205.05063	77.3
206.05853	22.0
207.02989	2.1
209.03081	5.5
217.01410	9.0
219.06621	6.1
221.08220	11.5
223.06105	20.3
232.03822	24.5
235.06204	2.3
237.07643	5.9
247.06129	100.0
250.04988	1.9
265.07129	19.3
277.06992	1.7
293.68616	1.6
309.27921	1.5
325.09036	2.7
356.44003	1.5
367.10172	2.5
385.11404	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77541	1.6
57.03444	3.6
59.01383	41.2
71.01379	24.5
83.01402	2.2
83.12371	1.7
85.02950	57.4
85.03431	3.3
89.02431	17.6
101.02431	9.6
113.02433	8.9
119.03477	2.5
129.01901	1.9
130.82715	2.0
147.02986	4.0
148.87544	1.9
149.02409	21.6
161.59093	1.7
164.04791	84.4
175.00409	3.1
179.07156	26.9
190.02734	55.2
191.01994	18.4
191.03551	7.0
205.05077	94.9
206.05885	38.7
207.03148	6.3
208.03784	23.6
209.03000	8.1
218.05505	1.8
221.08189	38.0
223.06149	94.2
232.03841	2.5
237.07666	8.1
247.06078	6.7
250.04880	16.2
251.05669	2.9
265.07205	86.8
288.95450	1.9
295.08255	54.7
325.09332	100.0
382.31509	2.1
385.07513	2.2
385.11469	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.7
59.48889	0.7
71.01375	3.9
73.06263	0.7
89.02425	6.3
101.02421	1.1
113.02412	1.2
122.50586	0.8
124.98728	0.8
126.84446	0.8
149.02402	1.3
164.04816	7.9
173.04515	6.0
175.00345	4.2
179.07166	1.2
190.02724	67.8
205.05067	100.0
221.08170	1.1
223.06114	15.0
232.03610	0.9
247.06120	5.5
265.07172	1.8
276.10562	0.9
295.07950	0.8
325.09247	1.1
385.11459	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81988	2.0
55.42552	1.6
56.84692	1.4
57.21320	2.1
59.01381	39.5
67.35520	1.5
71.01372	20.6
73.51238	1.6
89.02430	16.1
89.16761	1.6
98.10612	1.8
101.02445	3.6
105.84583	2.1
113.02425	9.6
119.03497	4.3
136.01622	3.1
137.36926	2.0
149.02434	18.8
151.03981	12.2
163.04088	2.2
164.04803	74.1
173.04488	2.3
175.00372	4.4
178.06462	2.1
179.07130	27.2
190.02742	51.2
191.03546	4.3
205.05067	100.0
206.05887	37.3
207.02972	3.9
208.03781	26.4
211.06090	8.5
221.08212	38.8
223.06142	90.2
232.03734	2.5
237.07698	4.3
247.06113	9.5
250.04848	14.1
251.05835	2.3
265.07208	84.2
295.08258	54.8
325.09354	92.6
385.11438	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	39.8
59.52241	2.2
66.51853	2.8
71.01384	17.9
79.30215	2.4
82.85345	2.6
89.02435	15.6
101.02438	5.3
113.02415	6.0
149.02441	21.9
164.04802	73.9
169.47430	2.6
179.07124	19.7
190.02762	53.3
191.03513	3.6
205.05069	100.0
206.05838	28.3
208.03842	24.6
221.08154	35.9
222.05457	3.8
223.06129	84.8
237.07652	4.1
247.06119	2.9
250.04814	6.5
251.05060	3.4
265.07144	82.6
281.75208	2.7
284.47467	3.3
295.08228	53.8
325.09326	98.1
385.11523	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1298
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.35849	1.3
53.37375	1.2
55.60197	1.7
59.01374	3.1
64.46521	1.5
69.36729	1.5
71.01379	2.2
74.42413	1.4
75.36655	1.4
78.77033	1.5
92.22983	2.0
95.05083	1.4
96.59302	1.6
101.52412	1.9
109.06593	1.8
109.55538	1.7
120.99685	2.5
175.04008	49.9
176.03351	2.7
176.04788	35.1
177.05495	2.4
185.08162	2.4
190.06386	29.7
204.04358	11.9
208.03804	10.5
217.05019	8.3
218.05914	3.2
219.06619	12.0
222.05322	25.5
269.08118	1.9
281.08240	2.4
294.04700	1.6
297.07657	2.7
306.05325	3.2
307.06091	2.4
311.05624	1.7
321.07718	17.1
322.04620	2.4
325.07214	25.4
326.07935	1.8
336.10318	3.6
337.07147	16.5
340.09464	7.8
341.10406	17.9
352.09430	3.5
355.11862	16.5
367.11926	14.8
385.12967	100.0
385.22223	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08863	0.4
59.01379	0.7
61.87106	0.4
61.98826	0.4
63.84883	0.4
95.79602	0.4
151.03960	0.6
158.63789	0.4
225.05530	0.5
230.54822	0.5
232.92122	0.4
235.03804	0.5
251.06902	0.6
253.05130	1.0
263.03491	0.8
264.04236	2.3
265.05139	0.6
266.05872	0.6
267.06586	0.8
268.07394	2.5
269.05084	0.5
279.06567	2.3
279.19608	0.4
280.07434	0.6
281.04611	12.0
281.07977	1.9
283.09845	1.7
296.06924	33.0
310.08560	2.0
311.09290	35.3
323.05780	0.5
325.03802	4.3
325.07260	1.7
325.10742	5.9
326.11649	8.4
340.05911	21.2
340.09882	1.0
341.13998	1.8
355.08282	31.6
370.10611	14.4
385.12973	100.0
385.22693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24926	0.7
53.72196	0.7
59.01383	2.1
63.68004	0.9
63.74319	1.2
63.96364	0.9
84.56393	0.9
85.02939	5.3
92.23091	1.8
114.09161	1.0
114.96798	0.9
130.26591	0.9
153.12878	1.9
153.55812	0.9
197.11868	2.3
198.27654	1.1
199.10706	1.1
211.13202	1.2
214.14520	14.6
282.05661	1.0
297.07718	28.4
297.11011	1.0
299.09311	1.5
311.09253	1.0
323.07095	1.1
325.07211	34.7
326.07950	2.0
327.08896	2.1
337.07217	5.1
340.05750	1.3
340.09442	2.0
344.55563	1.0
355.08267	100.0
369.09286	1.1
370.10629	22.7
385.13010	89.6
385.22656	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01379	5.5
73.02930	1.6
77.40433	0.8
85.02949	1.8
89.30186	0.9
101.02434	3.9
113.02415	3.6
115.87668	0.9
148.05310	11.5
159.02899	1.3
161.04576	11.5
163.07664	16.0
292.27975	1.1
409.49503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13971	5.5
57.23777	4.7
59.01379	100.0
71.01373	53.3
71.03316	4.6
73.02956	5.3
75.36913	4.9
85.02948	12.7
87.00903	7.0
89.02442	65.1
96.76012	4.8
101.02434	34.1
113.02445	31.4
119.03468	22.2
164.04778	25.1
187.11263	35.7
190.02664	6.9
190.10037	11.0
204.11496	7.5
205.05060	25.5
205.12343	30.5
221.08258	9.0
223.06140	23.8
233.11859	8.4
265.07278	11.1
276.17615	6.0
277.14404	11.9
295.08148	10.6
325.09409	24.8
385.11139	6.0
385.18704	21.5
406.02814	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.13971	5.5
57.23777	4.7
59.01379	100.0
71.01373	53.3
71.03316	4.6
73.02956	5.3
75.36913	4.9
85.02948	12.7
87.00903	7.0
89.02442	65.1
96.76012	4.8
101.02434	34.1
113.02445	31.4
119.03468	22.2
164.04778	25.1
187.11263	35.7
190.02664	6.9
190.10037	11.0
204.11496	7.5
205.05060	25.5
205.12343	30.5
221.08258	9.0
223.06140	23.8
233.11859	8.4
265.07278	11.1
276.17615	6.0
277.14404	11.9
295.08148	10.6
325.09409	24.8
385.11139	6.0
385.18704	21.5
406.02814	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1876
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.95731	0.4
57.03434	0.4
59.01379	3.3
59.82716	0.5
71.01377	14.5
73.02945	5.0
79.53660	0.5
83.01410	0.6
85.02943	8.0
89.02420	1.0
95.01394	1.2
99.00901	2.0
101.02439	9.6
108.98067	0.5
113.02439	6.9
143.03470	0.8
153.09229	5.7
157.50307	0.5
159.03011	2.1
161.04561	25.8
165.09189	0.8
171.89990	0.6
177.12849	1.3
187.11417	0.7
188.08430	0.6
203.10696	0.7
205.12350	100.0
215.34991	0.6
220.99908	0.7
315.85471	0.5
367.17813	0.8
378.45316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46154	0.7
57.03440	1.2
57.86338	0.7
59.01373	4.5
61.98832	100.0
62.55138	0.8
64.38948	0.9
75.00771	0.8
79.05541	1.8
85.02950	13.6
96.42446	0.9
119.65489	0.8
129.01892	1.0
130.08705	7.5
136.07703	12.3
137.09714	1.8
157.10287	1.0
171.10294	1.1
190.05109	14.5
191.02017	4.3
201.11383	1.8
209.02859	1.4
222.07756	16.6
244.26677	1.0
267.19617	2.1
279.21161	1.3
283.94879	1.1
293.17609	2.1
297.22107	2.0
313.23911	1.7
322.20267	4.2
341.21243	8.2
385.14059	19.1
385.20334	28.7
402.39920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69906	0.6
59.01375	8.0
59.08767	0.7
75.00873	3.3
85.02945	10.4
91.04000	1.5
126.57733	0.9
145.31647	0.7
167.14391	1.9
191.01985	3.5
207.17636	1.1
223.20699	1.4
224.03369	0.9
236.22397	0.7
249.18558	7.1
267.19662	100.0
275.11060	0.8
275.16553	8.7
293.17654	43.2
311.18695	4.1
313.23837	1.0
367.21194	3.3
379.16772	0.8
385.22354	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Rhodomollein XIV
Peak:m/z	Relative Intensity
59.01385	1.3
62.09314	0.6
62.64515	0.6
63.98369	0.6
85.02941	3.6
91.04009	1.6
95.05934	0.7
118.25326	0.7
156.60234	0.7
165.35698	0.8
167.14410	1.5
191.01990	2.5
193.15970	1.4
198.61588	0.7
207.17513	0.8
223.20627	1.0
249.18683	7.6
267.19675	100.0
275.16461	9.0
290.17508	0.7
293.17633	47.4
309.63684	0.7
311.18750	3.0
367.21234	4.2
385.11633	1.3
385.22372	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19666	1.0
56.97704	1.1
57.49535	1.0
59.01359	1.9
72.44424	1.0
97.77253	1.0
121.39487	1.0
125.09692	29.3
139.11284	5.7
154.12367	2.3
156.10274	2.1
165.43831	1.3
167.18771	1.2
170.11893	2.8
183.10229	2.3
186.11353	100.0
198.11359	2.4
200.12947	31.3
202.10907	10.3
214.14459	1.3
216.12389	22.7
218.59610	1.2
222.54266	1.4
235.07443	1.4
239.65720	1.2
263.03845	1.2
385.23520	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.1
76.04576	1.3
79.84285	1.4
85.02937	1.9
255.81540	1.5
287.15073	1.7
289.87445	1.6
292.79843	1.6
303.19830	3.3
303.23334	100.0
385.23651	96.0
397.55301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.7
82.80664	2.1
85.02943	3.0
91.04418	2.1
115.92062	2.9
242.22803	2.2
259.24265	8.9
303.23318	100.0
355.64880	2.3
385.23672	85.0
385.28610	4.8
385.33331	9.5
409.35309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60162	0.4
58.26213	0.4
59.98981	0.4
64.07503	0.4
66.88434	0.4
72.02137	0.5
73.02924	0.5
91.36909	0.4
97.22417	0.5
99.08113	0.5
108.36722	0.4
127.07639	0.5
129.09209	8.1
143.27553	0.4
151.43675	0.4
167.14314	0.6
183.14032	0.8
193.15981	0.5
195.13878	3.8
209.15471	0.6
213.14989	1.6
237.14975	9.6
243.78677	0.4
249.22343	0.8
255.16035	100.0
257.17603	17.7
284.84900	0.5
293.21173	0.6
311.22394	0.6
322.18198	0.4
327.44437	0.5
385.26035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	oscr#25
Peak:m/z	Relative Intensity
51.17907	1.4
59.01406	1.6
59.79757	2.3
87.52820	1.5
88.00773	1.7
88.43251	1.9
104.53649	1.7
109.28886	1.7
116.15013	1.8
155.28880	2.4
209.67799	1.9
223.82518	1.8
249.22256	100.0
267.23431	1.8
293.21277	61.6
301.27417	1.7
311.22330	65.8
385.26019	83.4
402.21640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12551	0.9
61.64643	0.8
62.28878	0.7
82.24575	0.8
85.02923	1.3
102.05627	0.9
102.55018	0.9
105.01933	2.1
105.36112	0.8
140.81120	0.8
143.74959	1.0
155.10751	8.1
171.10291	6.6
192.87514	0.8
203.40669	0.9
226.20033	1.0
279.23260	16.2
297.24374	100.0
322.22037	0.9
338.74155	0.9
342.26596	1.6
373.99091	1.1
385.12460	1.2
385.26004	21.3
385.31442	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35576	0.9
59.01384	1.8
71.01379	69.7
77.70741	0.9
94.03964	0.9
95.53186	1.0
115.00371	14.4
121.21791	1.0
123.53809	1.0
132.37614	1.1
194.19533	1.4
240.95613	1.1
269.24875	100.0
303.23276	6.8
322.97318	1.1
385.23706	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55830	1.0
59.01384	100.0
60.30935	1.2
73.28828	1.1
76.63400	1.1
83.62885	1.0
85.57109	1.2
97.58326	1.2
130.19609	1.3
170.29297	1.1
183.49870	1.2
203.24500	1.3
210.59396	1.1
212.93723	1.4
250.73848	1.5
255.23325	2.5
267.23367	1.6
269.24863	8.3
296.04276	1.3
381.67117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04012	0.3
52.30805	0.4
56.42385	0.4
57.03441	0.4
59.01380	0.7
66.41821	0.4
66.94347	0.4
68.70142	0.5
97.06593	1.0
123.08129	0.7
125.09712	32.2
131.19720	0.5
136.41197	0.6
139.11308	3.8
142.12373	2.1
168.10289	0.7
169.08696	1.0
183.10245	2.9
186.11362	100.0
200.12939	18.1
252.29791	0.5
318.71326	0.5
367.25858	0.8
385.09836	1.1
385.14230	0.9
385.22153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56137	1.5
53.86678	1.3
59.01379	3.7
66.86302	1.4
82.28194	1.5
85.02972	3.2
111.08123	2.7
121.33553	1.5
125.09712	2.4
139.11301	63.5
144.64635	1.4
156.10324	1.6
167.14473	9.9
183.10294	25.8
193.45848	1.5
201.11377	8.5
204.98169	1.6
210.15216	2.1
211.13400	26.4
214.14574	2.8
228.16042	100.0
229.14526	13.1
297.07690	21.3
310.04550	1.7
325.07162	19.9
327.08795	2.1
332.05731	1.7
335.23468	2.1
336.21997	6.5
337.07391	2.8
353.24527	86.4
355.08282	52.5
370.10675	7.9
385.08496	3.3
385.13062	43.5
385.22101	6.0
385.27112	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99153	0.4
53.28251	0.4
55.67606	0.3
59.01372	2.1
59.04451	0.3
71.41287	0.4
71.53268	0.4
73.48985	0.4
75.00864	2.2
83.05024	0.4
84.64549	0.4
85.02945	6.4
103.68333	0.5
111.08144	3.0
134.60397	0.4
137.66264	0.5
153.12871	13.4
157.64934	0.4
170.15547	0.8
172.09808	8.0
191.02011	1.7
196.13425	2.6
197.11856	24.2
207.41454	0.5
214.14511	100.0
215.12920	7.5
344.45966	0.5
367.26157	1.0
385.22308	2.5
385.27084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01716	7.9
79.06760	0.9
85.52491	0.9
92.92994	0.8
98.20228	1.0
100.06088	0.8
109.72863	1.1
112.28363	1.0
135.51276	0.9
158.06288	1.0
189.54092	0.9
244.69061	1.1
250.43495	1.0
391.64032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3328
Annotation	CHEBI:79299
Peak:m/z	Relative Intensity
50.26832	0.9
50.62531	0.8
53.99302	0.9
57.03460	1.4
59.01379	10.4
71.05018	10.5
73.50882	1.0
77.17762	1.0
79.22546	1.1
95.05003	1.6
95.64594	1.0
99.04520	4.7
113.06090	2.5
267.26947	49.3
292.70358	1.1
296.44907	1.2
311.33957	1.2
323.29654	6.1
339.32791	11.2
385.33298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64205	3.1
59.01378	7.4
59.72668	3.1
75.87604	3.8
76.33649	3.2
85.02957	15.4
125.29903	3.7
164.04773	6.7
165.05066	5.2
168.06265	4.0
190.02690	4.2
191.03157	8.2
203.23222	4.1
205.05016	9.2
206.05501	18.0
207.06184	7.1
209.08475	14.3
210.05647	5.2
212.07051	17.9
224.07170	33.1
226.08672	5.0
233.04106	7.3
238.08784	49.8
247.06114	5.3
248.06474	32.2
253.07452	59.5
254.04643	9.4
254.08229	38.1
266.07739	6.0
268.06158	7.4
268.09769	16.5
282.07730	20.9
283.08542	15.2
295.04916	74.5
298.07092	4.4
342.09860	100.0
357.55933	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	11.5
58.03775	2.3
59.01385	12.8
60.01723	1.5
71.01373	5.3
73.16357	1.1
83.01382	2.4
85.02947	100.0
86.03276	33.7
86.24277	1.2
86.56738	1.3
101.02441	1.5
111.00860	1.6
129.01907	4.4
130.02296	2.9
134.03770	1.5
147.03030	9.8
148.03348	5.1
162.48453	1.2
164.04776	5.1
165.05093	5.3
180.07469	2.2
190.02800	2.0
191.01912	26.0
192.02344	19.3
194.05362	2.0
205.05075	6.4
206.05475	13.4
207.06242	1.8
209.02963	2.0
221.08257	1.9
222.08578	2.4
223.06131	1.6
224.06436	9.5
251.05196	1.8
265.07040	2.2
266.03247	1.4
266.07611	12.5
296.08566	6.8
325.09143	1.6
326.09698	15.5
386.07666	8.5
386.12268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75204	2.7
59.01383	31.9
60.84468	2.7
71.01378	20.1
89.02435	14.9
95.01389	4.1
101.02418	7.2
102.02857	3.8
113.02423	5.0
119.03542	3.9
141.17513	3.5
146.52254	3.6
149.02441	16.0
150.02766	14.6
164.04781	42.8
165.05154	38.9
179.07045	4.9
180.07477	19.0
190.02664	23.8
191.03093	42.5
192.03810	4.6
192.91565	3.4
205.05107	43.3
206.05444	82.9
207.06183	28.1
208.03596	20.4
209.04099	23.1
221.08188	13.9
222.08531	35.0
223.06065	39.6
224.06473	55.6
240.55569	3.5
248.06364	6.3
251.05353	4.6
265.07205	24.3
266.07501	74.2
295.08157	6.8
296.08514	51.6
324.08936	7.0
325.09311	7.0
326.09698	100.0
386.11777	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1247
Annotation	periglaucine C
Peak:m/z	Relative Intensity
58.59954	1.6
59.01384	17.9
61.98829	3.8
69.98331	2.0
70.49308	1.8
76.70197	1.8
77.09537	1.7
78.13004	1.7
105.53912	2.2
109.02966	2.8
123.00871	3.4
128.14577	1.8
137.02446	51.0
152.04790	63.4
158.39194	2.2
167.07152	20.8
208.13383	2.8
270.80075	2.2
311.05872	14.3
325.07278	8.2
326.07962	2.2
327.09760	2.4
334.81448	2.0
356.07758	19.9
366.25348	2.2
371.10391	4.0
386.12573	100.0
386.17630	7.0
390.15558	2.0
399.26297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13574	1.1
53.56876	1.1
59.01381	26.9
61.19856	1.1
68.99807	3.0
86.02473	54.8
113.02429	3.0
123.04465	1.8
125.02444	15.5
127.05464	1.5
137.02498	1.2
138.03214	2.9
149.45944	1.2
155.03595	1.2
155.10870	2.4
165.01897	7.1
165.42577	1.4
166.02782	1.6
173.06033	11.5
212.92824	1.2
214.14441	12.4
227.07169	2.1
229.08592	1.7
241.08722	1.9
243.10353	2.9
245.08209	16.2
251.15422	1.3
255.10228	1.9
256.07379	2.1
257.08228	34.6
269.08243	17.3
287.09293	100.0
299.09299	63.3
369.09760	7.1
386.12521	51.6
388.53265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.125
Annotation	periglaucine C
Peak:m/z	Relative Intensity
59.01383	17.6
61.98845	10.8
65.57085	1.1
66.89735	1.1
67.88126	1.2
89.61500	1.2
97.91452	1.2
110.00129	1.9
111.00921	1.7
123.00888	23.9
125.02432	1.8
125.09730	1.6
137.99556	1.7
138.03250	6.7
139.00410	14.2
146.03758	2.5
151.00369	19.1
153.01944	14.4
153.05630	1.7
160.51103	1.2
161.06082	1.3
162.05615	1.7
162.16313	1.2
166.02771	5.3
176.07184	1.9
186.11340	5.4
187.11751	5.1
192.94437	1.2
217.67958	1.3
229.91519	1.2
294.08075	1.3
295.04987	2.8
299.05774	2.3
310.07196	9.6
311.05618	5.6
326.07993	5.1
326.23532	5.4
328.08282	10.0
341.10236	5.5
356.07770	11.2
371.09915	2.5
386.12555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81707	1.2
59.01363	1.3
87.74722	1.3
92.51412	1.4
97.92691	1.4
99.00874	34.3
110.02426	3.0
122.02480	2.5
125.09733	15.5
127.11273	10.9
139.11284	1.5
155.10786	8.0
165.09164	6.4
171.10275	8.6
183.10236	2.2
192.54865	1.5
194.55769	1.4
199.09784	6.7
201.11353	100.0
324.14670	2.3
342.15866	5.5
386.14636	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
82.51167	1.1
86.15957	1.5
86.27969	1.1
164.65175	1.7
205.05092	1.9
209.06184	1.7
223.06119	1.4
234.14290	1.5
237.05621	8.8
253.04947	2.7
280.09732	2.5
281.04422	3.1
282.05368	2.5
282.11362	7.4
294.11420	8.6
295.06091	20.7
295.11938	11.8
302.85321	1.4
304.72989	1.5
308.09601	1.5
309.09982	1.7
310.08545	2.9
310.14349	1.8
313.07275	18.8
324.08798	29.1
324.12442	9.2
325.62308	1.5
326.09631	2.8
326.13885	2.2
339.11154	6.8
340.11960	59.2
354.13544	18.5
368.95276	1.7
371.13770	13.9
384.29492	1.8
386.16132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1826
Annotation	Terazosin
Peak:m/z	Relative Intensity
55.11350	0.6
57.03451	1.6
59.01383	3.5
66.99956	0.7
68.62125	0.6
71.05022	1.4
73.98985	0.7
78.82550	0.7
116.32011	0.7
121.96775	0.7
122.23482	0.8
125.09722	1.1
139.03610	0.8
140.83043	0.8
179.14427	100.0
195.13902	1.5
197.15472	4.1
205.12378	1.2
222.14893	0.8
223.13397	11.8
225.14978	12.8
240.16060	39.1
305.07721	0.8
343.17688	3.8
368.17221	4.3
386.18289	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40534	0.4
59.01379	3.5
61.98832	100.0
70.00336	0.5
77.44451	0.4
97.18683	0.5
108.50001	0.5
125.09676	0.7
130.08580	0.5
134.03235	0.5
161.56598	0.5
176.09052	0.5
176.15047	0.5
187.09766	0.5
188.68623	0.5
202.98250	0.5
259.07574	0.5
282.08572	2.4
294.93848	0.6
297.10815	0.9
345.46802	0.5
386.13324	2.3
386.21649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10531	1.2
58.00602	1.6
58.82744	1.7
59.01390	1.8
60.18544	1.5
71.01368	2.3
73.02930	12.6
82.04881	1.5
86.02495	1.8
88.04023	14.4
100.04052	7.3
131.29114	1.6
169.83192	1.8
195.07085	1.4
223.20692	48.4
225.22241	6.2
235.20712	3.9
237.22232	1.7
251.20045	1.9
253.19096	3.4
253.21767	100.0
282.24420	19.2
314.27066	42.1
325.80975	1.7
339.87256	1.7
342.26605	9.2
381.88348	1.8
386.25586	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37612	2.6
52.68563	3.0
59.01385	7.0
72.00919	3.4
73.02956	22.7
75.09700	2.7
79.69254	2.9
85.02943	7.5
87.57427	3.0
88.04031	14.7
102.82798	3.8
201.87526	3.7
207.39069	3.8
223.20679	60.2
225.22366	7.5
253.21741	100.0
282.24423	17.8
314.27017	46.4
342.26459	5.0
386.25540	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2707
Annotation	Myxalamid C
Peak:m/z	Relative Intensity
53.33247	0.4
59.01385	5.2
70.02972	4.8
83.54834	0.4
88.90314	0.5
107.03751	0.6
108.04552	100.0
110.17300	0.5
128.05283	0.6
237.22304	0.8
278.24841	2.1
326.27042	10.3
377.79214	0.5
386.27014	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2917
Annotation	3-hydroxymyristoylcarnitine
Peak:m/z	Relative Intensity
55.10098	0.6
58.00589	0.9
60.30826	0.5
67.94822	0.5
68.05064	0.9
71.01379	1.0
73.02940	11.1
79.92280	0.6
82.06625	6.3
84.04546	0.9
85.02993	0.7
86.02489	0.8
88.04036	22.8
96.04545	1.2
100.78950	0.6
114.05603	4.1
117.38658	0.6
119.46777	0.7
130.05063	1.1
132.06671	13.2
144.06673	0.8
146.67455	0.7
223.20760	4.6
235.20764	0.8
253.21692	7.1
255.16045	1.5
256.16422	3.8
350.21152	1.1
367.38934	0.8
368.27972	7.5
386.29181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60187	1.0
57.47189	1.0
57.63075	0.9
58.00592	1.0
59.01368	1.9
65.23339	0.9
68.05040	1.6
68.37032	0.9
70.06615	1.2
71.01391	1.4
73.02947	19.7
74.04930	1.1
82.06605	7.8
84.04558	2.0
86.02499	1.3
88.04035	31.9
88.04533	2.0
96.04577	1.8
97.54446	1.0
100.04030	2.4
101.05286	1.2
114.05618	2.2
132.06650	18.8
164.01541	1.1
185.35316	1.3
194.10063	1.1
211.59705	1.2
223.20659	20.7
225.18398	1.1
225.22282	2.6
235.20694	2.1
253.21739	40.3
282.24554	5.1
314.27066	12.4
342.26675	2.0
368.28195	7.4
386.25507	9.5
386.29333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37267	0.7
53.91815	0.6
54.63553	0.6
56.72160	0.7
58.00600	0.7
58.52135	0.6
64.81219	0.7
66.05227	0.7
68.05045	1.5
70.06586	0.8
72.69096	0.7
73.02942	9.3
79.32681	0.8
80.38587	0.8
82.06612	5.8
83.10513	0.8
84.04561	1.1
86.06142	0.9
88.04030	25.3
88.47884	0.7
96.04592	0.9
99.66865	0.8
114.05609	3.9
119.20399	0.9
132.06674	11.9
144.06639	1.1
148.86728	0.8
184.96953	0.9
222.45326	0.8
223.20692	4.7
249.22163	1.3
250.22534	5.7
253.21805	5.7
294.21600	4.4
312.22766	3.7
368.28262	5.3
386.29263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43900	1.0
59.01378	2.0
68.05074	1.5
70.06566	1.1
71.01389	2.2
73.02949	14.7
82.06622	7.3
85.02958	1.3
86.02485	1.5
88.04035	26.9
100.04037	2.0
108.62456	1.0
114.05625	2.5
122.56190	1.1
124.72772	1.1
130.05119	1.3
132.06653	9.0
176.14880	1.1
223.20683	29.4
225.22278	1.5
231.34386	1.1
235.20741	2.6
253.21733	49.4
282.24362	6.9
314.27066	22.5
316.64981	1.2
326.19510	1.1
342.20898	1.9
342.26492	2.3
368.28119	7.9
386.25403	17.6
386.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30584	1.0
56.43335	0.9
57.03460	1.2
60.04542	4.1
61.17267	0.8
71.01387	1.9
71.30736	1.0
72.04556	2.2
73.02950	4.9
74.01056	0.9
84.04541	5.9
85.02930	3.5
87.19366	0.9
88.04035	15.5
89.02437	25.7
90.36280	0.9
96.04551	0.9
98.03748	2.7
114.05602	8.4
127.37534	1.1
130.05113	2.1
132.06660	27.8
144.06676	13.6
183.48933	1.1
185.50801	1.2
235.20474	1.3
253.21776	8.5
265.14050	1.1
265.21808	5.5
278.24854	1.3
280.23679	2.1
297.24448	1.6
298.24722	11.2
314.81039	1.1
386.29285	100.0
389.81287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
60.04513	1.7
60.90502	1.0
71.01375	2.5
72.04527	2.8
73.02927	5.4
84.04546	7.3
88.04039	13.2
89.02434	25.9
89.81641	1.1
97.94930	1.2
98.03743	2.9
103.44849	1.2
103.54049	1.2
114.05593	6.5
123.81250	1.2
130.05078	2.7
132.06656	30.0
136.19664	1.1
144.06674	13.9
223.20615	4.7
253.21745	2.8
265.21802	5.0
273.46808	1.2
386.29169	100.0
394.82019	1.3
403.82773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.02016	0.9
61.73175	1.0
68.63847	1.1
71.28198	0.9
85.17643	1.1
85.53534	1.1
125.49097	1.0
133.39853	1.4
239.08473	1.3
275.84717	1.2
408.99228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91354	0.4
66.79382	0.4
70.89827	0.4
72.27793	0.4
79.95736	0.5
85.52385	0.5
96.96002	100.0
118.29654	0.5
133.75661	0.5
136.01668	1.8
151.04021	3.1
159.06760	0.5
160.74821	0.5
166.02690	0.5
178.12709	0.4
181.05096	1.8
283.82327	0.5
357.09729	0.7
387.07516	0.5
387.14639	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.109
Annotation	Polygalolide B
Peak:m/z	Relative Intensity
51.82808	1.0
54.11766	1.0
59.01386	5.6
66.00108	1.1
78.36185	1.0
109.02935	7.9
121.02902	1.4
124.01625	1.1
125.02469	2.2
136.01675	9.2
137.02448	100.0
138.03239	2.5
139.04021	1.5
147.04497	2.0
150.03246	5.2
151.04039	11.2
153.05597	1.8
153.40518	1.1
159.04526	7.6
160.05318	2.4
161.02469	1.4
161.06071	5.3
162.03201	2.4
166.02731	10.5
173.02440	7.2
175.04019	5.3
175.23610	1.2
176.04807	2.3
177.01982	2.0
177.05618	10.8
178.06236	3.5
181.05118	11.1
188.04787	2.2
189.05611	2.6
190.06325	4.9
191.03470	10.8
191.07147	2.3
192.04233	4.4
203.07132	6.3
205.05090	7.6
206.05872	9.3
219.06674	2.1
221.08231	8.1
224.06897	1.6
265.05142	2.3
282.05420	5.5
283.06137	29.9
295.06021	2.5
297.07718	8.7
298.08490	24.8
312.10117	5.6
313.10852	57.8
327.08884	1.6
342.07608	2.0
343.11942	22.4
357.09872	5.3
358.76279	1.5
387.10553	40.0
387.14764	13.0
387.24066	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1091
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
50.26932	0.8
55.21133	0.9
58.44559	0.8
59.01395	3.5
62.21804	0.8
62.85867	0.8
69.90259	0.8
73.79202	1.0
75.84124	1.0
76.14942	0.9
91.01875	4.9
96.96010	14.7
96.99305	5.2
99.12424	1.0
101.80792	1.0
108.02167	1.1
109.02940	0.9
120.86256	1.0
123.04509	8.6
134.03748	19.5
145.02997	3.9
146.03726	6.0
147.04503	2.2
149.06065	5.1
158.03714	5.8
159.04535	14.3
161.06082	7.7
163.04024	4.1
173.06068	4.7
178.02757	2.2
193.05099	10.4
256.07620	1.7
267.06644	5.2
268.07321	1.1
269.08249	1.2
271.09857	1.1
281.08206	13.3
282.09027	7.0
283.09763	4.0
284.10623	5.1
295.06189	13.1
309.07712	4.5
310.08447	14.0
325.11038	2.3
327.64972	1.3
339.04947	1.0
354.07413	1.9
369.09995	1.7
387.10928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.109
Annotation	Cimiracemate C
Peak:m/z	Relative Intensity
59.01382	3.4
60.99851	1.1
63.06047	1.2
67.55224	1.2
68.98505	1.1
69.49377	1.3
73.02950	1.5
92.03695	1.3
133.02911	2.1
134.03754	5.5
137.69234	1.5
161.02431	2.7
181.12411	6.0
193.05072	100.0
198.83383	1.5
225.11337	12.1
297.13190	1.4
318.27554	1.6
387.16113	6.6
387.20377	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.4
61.95182	1.0
65.82318	0.9
85.09531	0.9
95.89861	0.9
99.05943	0.9
108.04556	2.0
122.06097	4.0
125.06062	1.2
138.36084	0.9
147.03210	2.2
159.03229	2.0
160.04025	13.3
176.07352	1.2
188.03561	16.8
190.05086	1.7
204.03017	8.6
218.04547	16.6
219.05371	1.9
239.11984	6.2
240.10387	4.5
243.11357	4.5
250.08661	1.2
252.09134	4.8
253.07550	1.1
255.07724	2.4
267.07919	1.5
267.11417	33.8
268.10107	8.8
269.09271	6.3
281.05716	16.4
283.07571	2.3
283.10925	7.8
293.09201	4.2
294.07285	1.5
295.07288	8.3
296.08078	9.4
309.08838	8.2
311.10425	100.0
327.23187	1.4
337.08276	16.6
343.12900	1.8
355.09384	52.8
387.11963	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17826	1.0
56.73296	1.1
58.20170	1.0
59.01379	5.7
77.69310	1.1
77.88694	1.1
97.06569	2.0
108.04556	2.4
108.17919	1.1
113.02435	1.4
122.06117	5.8
143.65482	1.3
151.58244	1.1
152.07213	1.3
160.04060	12.7
188.03569	16.4
190.05083	2.4
191.05688	1.2
204.03023	8.3
211.13289	1.5
218.04654	19.1
219.05432	2.6
238.43362	1.1
239.11922	2.8
240.10345	1.6
243.11537	2.1
252.09099	5.8
253.07381	1.4
255.07677	1.3
267.11401	30.5
268.09753	4.9
269.09409	6.3
281.05756	12.5
281.08667	2.0
282.06540	1.4
283.07321	1.9
283.11005	6.5
293.09222	3.0
295.07263	8.5
296.08142	10.7
309.08859	6.5
311.10428	100.0
315.09836	2.3
337.08371	13.0
343.12897	2.7
343.17374	2.8
355.09436	64.0
369.11148	1.7
387.11896	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.9
64.38204	0.6
71.01376	16.0
71.21590	0.7
77.67059	0.7
85.02945	3.8
89.02438	16.7
95.01421	0.5
99.00867	0.7
101.02428	11.2
110.96751	0.6
113.02479	6.3
119.03510	6.1
128.68658	0.7
141.65379	0.7
177.01952	15.3
179.05629	1.4
192.04300	69.7
193.05058	1.2
200.62727	0.6
207.06644	100.0
209.56250	0.7
236.80884	0.7
239.05598	0.8
387.13052	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.7
59.25035	1.6
59.62871	1.7
68.04095	1.8
71.01382	7.6
73.24433	1.9
87.00903	2.3
89.02405	7.6
101.02455	3.5
113.02393	2.9
113.29840	1.8
119.03439	2.4
119.37099	1.8
138.03261	3.3
139.00429	3.2
139.03961	2.9
153.05565	4.3
177.01993	8.4
192.04306	24.7
194.05836	2.8
207.06645	4.5
209.04562	25.9
210.05392	3.3
225.07733	21.2
357.07315	2.1
367.24429	2.2
372.10645	4.5
387.12970	100.0
387.16946	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27104	2.6
51.31296	2.6
59.01382	6.6
71.48547	2.9
84.68349	3.5
98.76656	3.0
109.02912	4.1
110.24165	3.1
136.01653	4.7
137.02461	55.9
138.03210	6.8
145.03125	3.4
147.04521	5.9
151.03969	6.5
153.05551	16.5
159.04527	15.5
160.05305	23.2
161.06071	4.8
166.02707	6.9
174.03264	3.7
176.04799	7.6
177.05571	82.1
178.06352	39.5
180.04276	5.1
187.03958	5.4
188.04779	15.5
191.03549	4.7
191.07156	21.1
192.07906	22.0
203.07158	56.9
206.05875	28.9
210.05232	14.0
221.08209	59.8
222.92628	7.9
224.06935	23.9
224.93623	4.8
282.05289	4.8
283.06177	22.3
298.08459	13.4
312.33987	3.9
313.10944	34.9
321.07550	4.3
327.08826	7.5
328.09341	3.9
339.08853	12.5
343.11917	25.9
357.13403	13.0
369.13507	36.9
372.08469	14.3
386.99197	15.3
387.10632	48.0
387.14624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
63.44695	0.6
80.13860	0.7
92.23048	0.9
109.02937	4.5
117.83376	0.8
139.00426	1.0
139.04028	3.1
150.67120	0.7
153.01906	1.3
161.06059	0.9
176.04733	1.7
177.05577	3.2
179.07227	0.9
188.04834	1.1
190.02689	1.8
191.03494	4.6
191.07147	3.3
192.04301	1.1
193.05061	1.4
201.11380	1.0
203.03534	4.2
203.07230	1.5
205.05092	10.6
206.28851	0.8
207.06705	1.3
218.05873	3.6
218.23491	0.8
219.06676	5.0
220.03792	4.8
221.04565	23.2
233.08368	1.1
235.06129	100.0
236.06987	1.9
249.07693	5.2
299.09412	1.0
313.10828	1.0
315.42899	0.8
327.08813	1.9
342.11200	3.8
357.09540	0.9
357.13760	3.6
372.12375	4.8
387.14578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79381	1.9
57.14605	2.0
59.01375	4.8
61.98843	2.4
70.54598	1.9
76.63210	2.2
81.49139	1.8
87.49667	2.3
93.54276	2.2
110.76827	1.9
122.03732	3.0
136.01656	66.9
137.02455	5.1
151.00398	3.8
151.03995	96.4
152.04802	2.5
166.02710	43.9
177.01895	3.3
181.05090	59.1
235.45576	2.4
260.43365	2.8
271.06201	3.0
329.10306	2.6
357.09811	39.0
369.13016	2.5
372.11841	9.0
387.14560	100.0
387.19550	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
78.86494	0.4
99.92590	4.3
100.93359	33.6
110.56897	0.4
115.92066	100.0
116.92863	3.2
128.75726	0.4
128.99249	0.4
130.86000	0.4
132.92381	0.9
136.59715	0.4
145.82193	0.5
153.27568	0.4
185.28322	0.5
325.14795	2.2
387.14868	0.5
403.88892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1568
Annotation	GS-3
Peak:m/z	Relative Intensity
50.26079	1.3
56.30865	1.5
57.03463	1.7
59.01384	10.5
71.01377	10.8
73.02940	6.8
85.02947	23.4
86.02530	1.5
87.00869	11.7
87.04475	2.5
96.96024	4.0
96.96975	1.7
97.02879	1.7
101.02442	8.8
113.02427	2.4
143.03558	7.0
159.02980	2.1
161.04639	13.4
165.04312	2.2
165.09241	1.9
167.07510	1.7
198.09264	14.5
200.10826	11.6
212.10925	1.5
216.10320	56.6
216.12227	2.9
225.07884	2.0
225.14977	12.3
226.08835	2.2
226.12581	2.2
256.09805	20.3
287.14142	8.5
298.10895	4.1
316.11957	22.8
327.09915	2.5
327.13647	17.3
387.07480	3.8
387.15775	100.0
387.20169	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1571
Annotation	GS-3
Peak:m/z	Relative Intensity
58.50954	0.5
59.01382	3.5
75.00877	0.8
79.95744	3.7
80.96505	5.3
80.99569	0.6
82.49120	0.6
92.23071	1.0
101.02463	0.7
107.03747	1.4
122.06118	28.2
124.07621	0.8
131.03812	1.6
132.04558	5.6
134.06146	0.9
146.06123	1.5
152.07173	88.5
158.02502	4.3
162.05563	1.3
176.03555	0.8
181.12413	1.2
190.05115	45.9
191.05797	0.8
192.06706	0.8
193.05042	1.0
196.11456	0.7
212.58466	0.6
222.07741	40.5
225.11377	1.4
234.07710	1.1
323.10022	0.7
327.14087	0.7
355.13342	1.0
387.15710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.0
61.00336	2.3
63.95370	2.3
71.01385	12.8
76.92361	2.3
77.19620	2.5
78.51909	2.3
89.02439	14.1
101.02427	5.1
113.02428	3.4
113.59256	2.5
163.11279	24.0
169.98114	2.9
376.96692	3.4
387.16663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01109	1.9
59.01385	51.5
71.01373	8.9
71.75133	1.8
76.70721	1.9
89.02442	13.6
101.02434	11.6
113.02438	6.7
119.03468	3.4
135.04492	2.0
145.42264	1.9
158.34488	1.8
163.11298	38.7
166.68179	1.8
179.03596	2.4
197.04509	4.4
225.04341	1.8
291.39761	1.8
314.02670	1.9
382.36993	2.3
387.16629	100.0
414.92300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.0
61.00336	2.3
63.95370	2.3
71.01385	12.8
76.92361	2.3
77.19620	2.5
78.51909	2.3
89.02439	14.1
101.02427	5.1
113.02428	3.4
113.59256	2.5
163.11279	24.0
169.98114	2.9
376.96692	3.4
387.16663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89463	0.9
59.01382	74.1
61.67242	1.3
69.55796	1.1
71.01375	15.7
76.34811	1.2
85.02940	2.6
89.02431	19.1
92.23071	1.2
101.02451	10.1
113.02456	8.8
117.31222	1.4
119.03520	4.5
138.03217	3.1
153.05563	4.8
161.04428	1.5
163.11264	6.8
163.12505	1.3
165.05605	9.6
167.03593	1.5
207.10272	7.0
387.16602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00600	1.5
59.01380	12.3
63.60690	1.1
68.52999	1.4
68.72551	1.1
69.64507	1.0
71.01380	6.2
73.02944	2.4
74.99236	1.2
79.95738	1.4
85.02950	3.0
86.03709	2.3
87.04511	2.6
89.02472	2.1
90.62920	1.3
99.04519	5.1
101.02436	3.1
161.44733	1.3
163.11327	13.1
177.12770	1.5
181.12355	54.4
189.05640	2.2
193.04945	2.8
195.13913	17.6
207.10278	12.0
223.13441	6.8
225.11351	100.0
239.12881	14.9
267.12442	21.9
297.13385	2.6
327.14517	31.4
371.78531	1.4
387.16824	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.203
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.67077	1.2
52.19852	1.1
54.00108	1.2
57.03444	3.2
59.01385	30.1
61.21315	1.1
63.20885	1.1
63.73824	1.4
67.39079	1.2
71.01378	37.8
71.05014	1.9
73.02953	7.4
80.64613	1.7
83.01366	3.3
85.02945	19.0
89.02450	17.6
95.01382	1.7
96.35683	1.3
97.02947	1.3
99.00875	2.9
101.02435	24.3
104.12408	1.3
113.02457	16.9
119.03524	2.7
137.09717	1.6
138.06854	17.8
143.03490	2.4
146.19113	1.5
153.09218	100.0
159.03001	2.7
161.04552	26.0
194.51186	1.4
196.32974	1.5
207.13863	11.0
225.14978	98.1
229.29927	1.4
266.80334	1.5
350.64160	1.5
379.10571	1.4
387.15665	1.9
387.20328	34.5
387.95105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2029
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.01881	1.9
59.01382	58.7
71.01374	40.4
71.90196	1.2
73.02948	11.4
73.61721	1.1
83.01381	2.8
85.02948	17.5
87.00853	3.1
89.02436	30.7
89.42279	1.1
90.95921	1.4
95.01356	1.7
99.00864	2.5
101.02440	30.6
113.02435	24.3
119.03490	8.1
151.11272	3.1
153.12798	2.6
161.04507	13.5
164.08406	6.7
179.05614	3.0
221.50591	1.3
225.14992	16.3
293.78976	1.5
298.67908	1.5
327.14618	5.3
342.69693	1.3
387.20313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71617	0.8
54.72650	0.7
59.01368	3.5
61.98839	1.2
72.99339	1.0
75.00867	19.4
83.05040	1.2
106.25728	1.0
125.09716	48.5
147.42969	1.0
155.09656	1.5
155.10782	22.2
169.08676	3.9
171.10240	8.0
187.09766	100.0
199.09735	5.6
201.11375	3.2
217.08804	1.3
217.10834	30.4
237.76514	0.9
311.22470	1.0
329.23212	2.0
343.15512	1.0
387.20145	63.6
387.24014	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2032
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
57.27774	1.4
57.83300	1.6
58.08705	1.7
59.01384	100.0
59.12307	1.9
59.96264	1.9
62.10783	1.6
62.28048	1.5
70.84109	1.7
71.01007	3.4
71.01378	59.9
72.21852	1.7
73.02940	8.2
83.01380	3.7
85.02942	15.1
87.00888	2.6
89.02443	58.2
91.23351	1.8
92.22722	3.3
95.01381	4.3
99.00864	2.0
101.02448	35.9
113.02455	31.2
118.88171	1.7
119.03502	20.9
123.25652	1.7
132.51074	2.0
159.02931	2.4
161.04578	19.2
179.05621	14.7
181.12251	2.3
189.12912	2.4
225.15002	17.6
237.73090	1.9
387.20401	42.3
389.65164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2029
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01882	3.0
57.03456	2.1
58.00601	2.0
59.01382	100.0
69.03459	0.5
71.01377	62.3
72.99307	2.0
73.02940	11.0
83.01385	6.0
85.02942	21.1
85.03413	1.0
87.00854	3.7
87.04523	0.7
89.02438	67.3
95.01382	5.9
97.02932	0.5
99.00896	3.2
99.42654	0.5
101.02437	52.9
113.02444	32.0
116.90453	0.5
119.03490	24.8
129.01924	0.7
131.03523	4.0
137.09695	1.2
143.03481	6.0
143.14850	0.5
149.04567	1.1
151.11270	3.7
153.12903	2.3
159.03021	2.6
161.04541	22.4
161.37047	0.5
179.05611	15.2
179.07066	0.9
182.71497	0.6
189.12874	4.8
207.13895	3.0
216.13237	0.5
220.33588	0.5
225.14961	21.3
295.07275	0.9
297.17090	2.4
313.08517	0.6
387.20288	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.218
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
51.02969	0.7
52.70483	0.7
59.01376	1.0
68.30708	0.7
117.03474	4.9
119.05016	20.1
145.02950	100.0
159.73291	0.8
163.04010	23.1
194.23456	0.9
215.01758	0.9
223.17206	0.8
241.18080	11.4
267.43195	0.9
369.20682	1.1
387.21796	50.5
387.29037	24.0
398.19183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2182
Annotation	Juniferin
Peak:m/z	Relative Intensity
53.63993	1.0
56.90783	1.0
57.14902	1.1
59.01377	3.0
71.95294	1.1
73.96102	1.1
88.35564	1.1
113.63584	1.4
129.62454	1.4
136.01656	5.3
137.02422	5.3
138.03287	1.4
138.33710	1.4
149.02431	2.4
173.06027	6.2
177.25522	1.3
178.06419	1.3
191.07158	80.6
217.05058	48.1
235.06180	11.0
241.12253	1.7
245.23329	1.3
249.22519	1.5
255.23210	2.2
258.12552	1.9
259.13354	6.7
280.70639	1.4
285.11249	2.3
326.18869	1.4
328.20456	9.8
369.20819	16.5
372.19492	67.3
387.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94241	1.4
70.06846	1.2
74.77784	1.2
92.05057	53.6
136.04047	42.4
184.81813	1.7
219.15038	100.0
387.22809	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25300	17.3
59.01389	100.0
62.62735	16.6
75.65338	22.7
86.42388	22.6
91.57389	22.7
119.70172	19.4
143.46242	21.4
147.61208	24.7
170.61438	21.1
233.69893	25.8
327.21954	26.5
371.23410	28.1
387.25720	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09474	66.9
70.80393	51.0
70.86460	57.4
84.88054	61.6
85.32192	61.0
107.11903	71.8
158.04222	68.9
160.41104	64.5
164.02571	64.3
265.78970	75.2
343.26480	100.0
358.78925	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	30.8
61.98828	32.4
66.58250	19.1
67.53320	19.3
72.11644	20.3
75.79997	20.0
146.39989	26.9
149.32523	23.5
209.39702	21.8
246.38048	29.8
387.24097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26126	42.9
56.73687	39.7
59.01398	56.8
75.00864	45.0
82.71738	42.8
186.71689	44.0
210.05397	44.8
340.20111	39.7
387.23630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96634	0.9
59.01384	16.8
65.13515	0.9
66.28390	1.0
70.94131	0.8
79.02955	0.9
134.39365	1.0
241.06616	1.1
305.24884	100.0
387.25208	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57364	0.9
101.14403	1.2
118.82939	1.3
137.06104	2.1
247.25894	1.3
312.18451	1.1
343.26447	100.0
380.52957	1.1
387.25449	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2549
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
52.66617	1.2
54.19294	1.4
54.45223	1.4
59.01380	100.0
60.39758	1.3
60.96366	1.4
65.32106	1.5
65.53075	1.5
107.53288	1.8
137.06053	2.2
315.39929	1.8
343.26474	94.0
387.25430	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95699	1.1
58.11216	1.1
59.01385	100.0
68.04659	1.3
88.23199	1.2
88.28716	1.1
137.06024	1.8
187.59154	1.1
343.26462	61.9
356.40228	1.3
387.25354	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04524	1.3
59.01381	100.0
66.21597	1.4
68.32593	1.4
69.51886	1.4
83.41292	1.5
103.06985	1.6
127.68489	1.9
129.44705	1.5
140.64168	1.3
144.04903	1.4
175.20824	1.6
259.20801	1.7
283.56696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
66.09260	0.9
68.36456	1.0
75.82330	1.4
83.01382	60.5
86.81293	0.9
87.04510	4.2
92.23118	1.3
119.90746	1.1
131.03502	6.6
155.67685	1.0
158.39322	1.1
160.06093	1.0
215.42311	1.2
238.82915	1.0
255.23318	100.0
387.27560	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	oscr#26
Peak:m/z	Relative Intensity
54.39450	0.9
57.09527	0.7
66.35217	0.9
67.15853	0.9
79.39813	0.8
143.98688	1.0
251.23817	100.0
269.24960	2.0
295.19458	2.2
295.22818	62.6
313.20233	2.0
313.23886	73.4
387.27554	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33321	0.3
51.71685	0.3
53.08245	0.3
55.57174	0.4
58.61754	0.4
59.01371	0.5
60.07600	0.3
69.03458	0.6
70.81772	0.4
104.81161	0.4
139.68655	0.4
245.38661	0.4
255.23308	100.0
263.66867	0.5
269.24869	0.9
271.25452	0.6
271.51102	0.4
364.80197	0.4
382.63000	0.4
387.27618	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91098	1.1
59.01384	3.0
60.95559	1.2
62.20602	1.2
72.88103	1.4
78.47826	1.3
83.01386	17.7
92.23133	1.4
95.01360	2.4
102.56607	1.4
106.05489	1.5
113.02461	1.4
131.03523	5.2
141.56548	1.3
149.04576	2.0
155.96667	1.2
155.98093	1.7
203.41612	1.5
233.62674	1.4
250.60071	1.5
255.23302	100.0
269.24762	1.7
387.27432	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	2.4
59.01386	49.9
82.16467	2.1
93.33485	2.0
97.99189	2.0
111.38332	2.1
137.30867	2.0
255.23317	100.0
348.94250	2.7
387.27487	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05070	1.0
59.01381	8.4
73.17852	1.3
84.99328	1.6
101.02451	2.5
110.00087	14.0
125.02464	21.2
131.97104	1.6
144.04453	1.6
163.04144	1.6
172.31781	1.6
190.05099	49.7
205.78233	1.4
218.04585	16.5
242.04649	7.5
256.06143	6.3
259.44504	1.6
260.05652	100.0
268.11652	2.1
284.05746	2.9
285.06448	2.9
312.10684	2.3
322.02863	1.4
326.06778	3.2
344.07755	42.8
356.09872	1.7
388.06766	11.0
388.11517	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26276	0.4
61.98831	8.5
70.02972	0.5
71.01379	0.5
73.30273	0.4
74.00665	0.6
75.28364	0.4
77.33602	0.4
84.04533	0.6
97.02938	0.6
101.02443	2.6
115.03993	1.7
125.02415	0.6
126.05618	0.6
128.03532	100.0
138.70099	0.4
154.05063	0.7
160.02008	0.5
168.06667	1.0
170.04584	4.8
172.55754	0.5
182.04529	0.4
198.04137	0.6
200.05658	25.6
230.06750	0.8
254.06819	3.6
272.07758	2.1
364.65836	0.5
375.04990	0.5
388.12598	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87563	0.3
59.01372	0.4
62.32713	0.3
63.93823	0.3
70.02965	0.7
71.01370	0.4
73.02955	0.5
82.02998	0.4
84.04558	0.6
84.24511	0.3
87.00845	0.7
101.02430	3.5
102.63695	0.3
105.57768	0.4
114.22639	0.4
115.03996	2.4
118.63609	0.3
126.05603	0.6
128.03529	100.0
154.05087	1.4
168.06670	1.6
170.04599	5.8
182.04538	0.4
182.19225	0.3
192.06642	0.5
198.04184	0.5
200.05653	26.3
212.05724	0.4
230.06642	0.8
239.03606	0.5
254.06802	3.3
272.07758	2.2
294.00687	0.4
297.10132	1.4
312.12631	0.8
314.14212	0.4
338.67502	0.4
342.16174	0.4
344.15158	0.8
388.12601	9.3
388.17157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09274	0.4
70.02998	0.5
84.04551	0.8
84.59217	0.5
97.02961	0.7
101.02434	3.3
114.04941	0.6
115.03992	2.0
115.22927	0.5
124.04025	0.5
126.05627	0.6
128.03535	100.0
129.37279	0.4
154.05090	1.1
170.04582	5.6
192.06790	0.6
195.03194	0.5
198.04173	1.1
200.05661	27.9
224.37421	0.6
230.06750	0.6
254.06705	4.8
272.07874	2.1
374.92783	0.5
388.12653	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25710	0.3
50.84961	0.2
60.00810	0.3
61.94424	0.3
70.02961	0.6
71.01385	0.4
73.02926	0.3
84.04558	1.3
97.02911	0.5
101.01873	0.3
101.02416	3.2
112.77977	0.3
115.03973	1.7
124.03894	0.4
125.02467	0.4
126.05621	0.7
128.03531	100.0
147.61967	0.3
154.05077	0.7
168.06700	2.1
170.04564	4.4
192.06718	0.6
198.04092	1.4
200.05659	28.1
212.05707	0.5
221.62166	0.4
230.06754	1.7
248.08435	0.3
253.48817	0.3
254.06682	3.9
259.25253	0.3
272.07840	3.4
388.12534	10.0
414.14966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87330	0.3
63.35300	0.3
70.02965	0.4
84.04511	0.3
101.02427	3.2
102.39643	0.4
103.48802	0.4
112.69025	0.4
115.04018	1.6
126.05592	0.7
128.03529	100.0
143.33551	0.4
150.68486	0.4
152.03477	0.4
154.05103	1.8
154.08698	0.5
159.73535	0.4
168.06654	0.9
170.04604	4.8
181.19571	0.4
200.05663	28.7
205.79999	0.4
212.05663	0.5
230.06541	1.3
254.06705	4.4
272.07718	1.8
333.58127	0.4
379.33652	0.4
388.12521	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17812	1.5
59.01382	90.8
60.00889	4.3
65.86395	1.5
71.01386	4.3
76.59378	2.0
85.02927	1.7
87.35906	1.7
87.96133	1.8
88.90087	1.6
89.02430	1.9
101.02419	3.5
128.03560	7.7
148.76900	1.7
161.04572	2.2
166.05089	100.0
328.10272	10.4
328.14307	2.2
362.50031	2.3
388.20905	3.0
399.32233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20866	0.3
59.01383	1.4
67.32054	0.3
70.03001	0.4
71.01349	0.4
73.02962	0.4
76.47640	0.3
86.52432	0.4
87.30978	0.3
94.01333	0.4
97.02903	0.4
101.02440	3.4
115.04003	1.4
126.05601	0.9
128.03537	100.0
154.05164	1.9
168.06706	2.2
170.04601	4.8
182.04552	0.5
200.05675	27.8
207.91866	0.4
212.05685	0.5
225.22639	0.4
230.06688	1.5
254.06720	4.1
272.07834	2.7
313.44354	0.4
388.12570	9.5
388.17029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05349	0.6
59.01367	0.9
61.98832	100.0
86.23210	0.7
100.09595	0.8
102.23040	0.9
136.45073	1.0
151.62766	0.9
187.12019	0.9
217.10815	1.4
316.53778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05349	0.6
59.01367	0.9
61.98832	100.0
86.23210	0.7
100.09595	0.8
102.23040	0.9
136.45073	1.0
151.62766	0.9
187.12019	0.9
217.10815	1.4
316.53778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2711
Annotation	Sphingofungin B
Peak:m/z	Relative Intensity
51.30731	1.0
59.01381	1.9
66.38448	1.3
70.02955	1.6
82.66966	1.1
86.02505	1.2
88.04025	12.3
100.04039	6.0
102.84649	1.2
132.43338	1.3
160.04564	1.4
225.22198	8.8
226.62891	1.5
241.21771	12.7
253.21738	68.2
255.23305	100.0
266.24951	1.9
267.23373	5.4
284.26053	12.5
299.22260	1.6
316.28531	40.4
344.28146	8.8
388.27124	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06183	2.1
59.01386	4.8
59.97878	2.4
64.18356	2.5
71.01458	2.5
88.04040	27.0
127.20831	2.8
132.06671	14.0
139.71710	3.2
166.39154	3.0
207.45029	2.7
225.22299	11.6
253.21782	23.0
255.23347	78.6
316.28519	5.7
321.70999	3.5
358.29572	13.3
370.29764	5.2
379.59274	3.0
388.30823	100.0
403.00616	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81430	0.5
54.35397	0.5
59.01383	0.8
68.05048	0.7
70.06605	1.1
71.30712	0.5
72.13341	0.6
72.69052	0.6
73.02940	1.5
78.95589	0.6
79.29881	0.6
82.06610	8.9
84.04576	0.7
86.06082	0.6
88.04035	22.6
98.06055	0.7
112.90816	0.7
114.05605	4.0
119.98756	0.7
127.24589	0.7
130.05054	1.0
132.06673	10.8
144.06680	1.3
218.14714	0.8
225.22227	8.6
248.97452	0.7
252.24222	1.0
253.21754	2.6
255.23262	12.2
267.23068	0.7
290.28619	2.5
314.24048	1.4
370.29678	9.7
388.30765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39313	0.7
53.86517	0.7
55.29798	0.7
55.71236	0.6
61.57729	0.8
68.05058	1.8
73.02946	1.2
82.06606	7.0
84.04544	1.4
88.04035	23.0
89.32697	0.8
93.52254	0.8
96.04539	0.9
112.04066	0.8
114.05592	1.8
132.06662	11.6
144.06662	1.0
173.56117	0.8
225.22218	9.8
232.72758	0.9
253.21825	4.6
255.23337	16.8
287.72162	0.9
290.28726	3.2
370.29572	5.6
374.28735	0.8
388.30768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22461	1.2
59.01347	1.2
60.04543	2.0
71.01366	3.2
72.03850	1.2
74.89421	1.3
84.04560	2.0
88.04015	9.4
89.02438	23.1
94.02998	1.9
94.64546	1.2
96.04562	1.1
101.63544	1.3
114.05576	3.0
130.05067	3.0
132.06660	30.9
144.06680	13.6
158.39520	1.4
174.90636	1.5
189.04027	1.4
225.22202	2.8
250.25603	1.5
253.21742	2.8
255.23309	8.0
267.23257	8.7
388.30737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49610	0.9
50.65565	0.8
59.01380	32.5
71.01377	19.6
78.95903	6.9
85.02950	4.6
89.02438	40.8
94.61409	1.0
94.98072	14.6
96.95969	1.7
96.96954	16.7
101.02438	13.1
101.37355	1.1
110.98516	4.9
111.00872	100.0
113.02445	10.9
119.03485	13.3
131.03430	1.4
134.50024	1.1
143.03539	1.9
149.02490	1.3
161.04594	2.3
165.05605	1.2
167.03514	1.6
179.05602	27.9
191.05624	4.4
268.33200	1.2
291.07263	34.2
389.11029	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
64.38703	0.5
71.39063	0.4
77.52118	0.6
85.02955	2.4
86.29002	0.6
89.02432	0.6
109.98733	0.6
136.22179	0.5
149.59706	0.6
167.03566	0.7
183.54565	0.5
185.82079	0.5
191.05626	100.0
194.02254	2.3
209.04445	0.7
229.49361	0.7
318.84183	0.6
340.68991	0.6
389.10855	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93722	0.4
58.40567	0.4
59.01365	0.4
59.35882	0.4
78.95898	2.2
85.02943	2.3
88.86481	0.5
93.03451	0.7
110.98525	2.1
115.01476	0.5
121.07078	0.4
127.04047	0.5
131.69908	0.4
134.14015	0.5
143.92577	0.5
187.91815	0.5
189.34521	0.5
191.05620	100.0
253.70349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45843	0.3
59.01378	4.7
64.02448	0.3
67.01884	3.2
71.01378	3.3
79.86021	0.3
85.02951	0.6
89.02423	3.6
96.97689	0.3
101.02451	1.4
111.00871	100.0
113.02461	1.4
119.03533	0.7
133.02963	0.7
153.95671	0.4
165.05612	0.4
179.05571	0.4
213.68192	0.3
229.88274	0.4
281.60849	0.3
368.13574	0.4
389.10880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Eustomoside
Peak:m/z	Relative Intensity
59.01385	18.9
71.01380	9.7
77.23601	1.0
78.47363	1.0
83.39894	1.0
85.02946	4.3
85.39097	0.9
89.02451	12.3
92.26434	0.9
101.02441	5.5
113.02439	5.3
119.03464	4.6
133.02956	5.2
135.80838	1.1
138.30878	1.0
164.01128	7.9
165.05557	4.0
172.83119	1.1
179.03494	10.2
182.02208	4.7
191.05634	100.0
194.02168	1.5
197.04567	45.0
200.79089	1.1
209.04608	4.5
227.05630	19.2
307.33337	1.0
389.10999	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.2
71.01373	3.9
78.95918	1.4
80.59057	0.6
85.02935	3.4
89.02412	4.8
101.02450	1.1
104.13143	0.7
110.98520	3.7
113.02426	1.1
119.03459	0.8
127.04006	1.2
128.03529	1.0
131.04689	0.7
133.02953	5.1
151.90443	0.7
165.05577	2.7
179.05534	0.9
191.05626	100.0
199.98561	0.6
389.10693	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45843	0.3
59.01378	4.7
64.02448	0.3
67.01884	3.2
71.01378	3.3
79.86021	0.3
85.02951	0.6
89.02423	3.6
96.97689	0.3
101.02451	1.4
111.00871	100.0
113.02461	1.4
119.03533	0.7
133.02963	0.7
153.95671	0.4
165.05612	0.4
179.05571	0.4
213.68192	0.3
229.88274	0.4
281.60849	0.3
368.13574	0.4
389.10880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
83.05032	2.4
85.02957	1.2
104.18237	0.2
106.75919	0.3
111.04523	1.6
113.02448	100.0
150.03268	0.5
155.03537	0.5
165.05553	0.5
170.35251	0.3
175.39522	0.3
180.80824	0.3
187.36761	0.3
193.05009	1.0
195.06566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45843	0.3
59.01378	4.7
64.02448	0.3
67.01884	3.2
71.01378	3.3
79.86021	0.3
85.02951	0.6
89.02423	3.6
96.97689	0.3
101.02451	1.4
111.00871	100.0
113.02461	1.4
119.03533	0.7
133.02963	0.7
153.95671	0.4
165.05612	0.4
179.05571	0.4
213.68192	0.3
229.88274	0.4
281.60849	0.3
368.13574	0.4
389.10880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1254
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
59.01384	100.0
63.42245	1.9
66.60493	1.9
71.01373	5.5
73.02934	3.7
84.80964	2.1
85.02967	4.2
89.02446	5.2
92.23145	3.0
94.18108	2.1
101.02434	4.4
113.02453	16.7
121.02975	5.2
126.18025	2.5
134.03723	34.2
149.02432	14.4
149.06073	12.9
150.03235	43.4
161.04462	2.2
164.04831	4.0
165.05562	54.3
168.35223	2.0
178.02690	17.8
180.04234	2.7
191.05637	11.4
193.05061	47.7
195.06654	28.0
211.02574	2.9
227.78922	2.2
312.99710	2.4
329.15897	2.7
335.78146	2.9
341.10312	26.3
374.15482	2.5
389.12939	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31505	1.3
57.24070	1.2
61.33515	1.5
64.71939	1.5
65.68477	1.3
74.90778	1.4
79.10690	1.4
107.00341	1.7
121.02950	16.3
122.03746	2.1
134.03745	55.4
135.04526	1.7
137.02449	2.2
149.02440	13.3
149.06071	18.0
150.03224	73.2
164.04771	10.1
165.05554	100.0
175.04057	1.9
178.02722	30.8
180.04277	8.8
190.06337	3.1
191.07254	2.7
193.05066	62.0
195.06650	39.4
239.07193	2.0
267.06613	8.0
282.09045	14.1
341.10318	54.8
389.12451	7.2
389.16708	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88166	1.1
59.01386	12.6
61.98831	6.7
68.52879	1.0
71.01385	4.6
72.80383	1.1
73.02953	2.2
78.95906	9.7
79.95734	2.6
80.96497	1.3
83.01392	1.8
85.02966	2.2
96.96972	1.9
99.00855	1.7
101.02422	6.5
111.08145	1.1
113.02445	2.6
119.43758	1.2
121.02964	13.0
122.03756	5.1
125.09736	2.4
133.02908	1.1
136.01680	5.2
145.08655	2.6
149.02481	11.5
150.03224	100.0
151.04056	6.0
156.95158	1.1
164.04776	38.8
165.05551	28.6
179.07132	21.8
179.14410	8.3
197.15483	47.2
197.23119	1.3
199.59250	1.1
209.04565	52.5
223.13434	1.6
241.14404	4.5
273.17105	23.0
297.98044	1.3
354.39514	1.3
389.03128	1.2
389.12802	14.6
389.16989	10.9
389.21802	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Glu-Gly-Trp
Peak:m/z	Relative Intensity
55.01889	0.9
57.03431	1.0
59.01104	1.3
59.01381	25.9
71.01376	23.7
73.02939	10.0
79.66319	0.9
79.90942	0.9
83.01383	7.8
85.02947	13.9
86.00110	1.2
89.02455	8.1
92.59791	0.8
95.01391	1.8
99.00861	1.9
101.02434	29.9
103.29008	0.9
112.67084	0.9
113.02449	12.1
119.03442	1.8
137.02440	1.2
152.04713	2.9
161.04492	1.3
183.10269	1.0
191.05696	0.9
212.06900	4.3
227.09357	7.8
227.13930	1.3
281.71671	0.9
345.15491	18.8
389.14569	100.0
394.73358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Glu-Gly-Trp
Peak:m/z	Relative Intensity
59.01376	28.4
71.01375	20.8
73.02938	10.3
76.06466	1.4
83.01377	7.2
85.02946	11.4
87.78117	1.6
89.02441	7.8
92.22520	1.7
95.01385	2.8
95.54680	1.5
99.00872	3.5
101.02448	29.9
103.18718	1.6
113.02462	10.4
119.03554	2.3
134.03716	2.8
149.02406	1.9
150.03220	6.3
161.04564	2.1
165.05563	8.4
172.85507	1.7
178.02695	2.4
179.10283	1.5
189.58076	1.6
193.05020	2.8
227.09235	1.6
341.10306	3.6
345.15552	13.9
380.46097	1.6
389.14603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.60828	0.9
60.30420	0.9
71.01362	2.7
85.02909	1.3
133.56776	1.2
135.59514	1.2
137.06093	10.3
145.42412	1.2
152.04790	14.7
156.00143	1.0
161.04552	5.3
167.07126	59.0
186.94308	1.2
267.34647	1.1
280.43811	1.1
329.12418	4.1
385.28931	1.2
396.84616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43592	0.7
52.43903	0.7
54.49108	0.6
56.04396	0.8
59.01381	4.8
65.05023	0.8
120.87006	1.0
121.02905	1.9
150.03194	4.5
153.01959	1.1
160.51546	0.8
162.55711	1.0
163.04048	6.6
165.05545	4.7
173.06027	1.1
174.03233	1.2
175.03990	11.4
177.05586	1.6
178.02728	5.2
180.04289	5.8
181.76880	0.8
188.04753	1.4
189.05585	9.5
190.06364	43.6
191.07152	19.7
191.47862	0.9
193.05081	12.7
194.05827	2.1
203.07101	5.2
204.07942	2.1
205.08707	27.8
206.05745	1.0
207.06683	6.9
208.07420	41.0
222.08987	10.5
227.03581	6.7
309.01129	0.8
344.12619	1.3
351.60669	1.0
359.15027	100.0
389.16458	1.2
389.25620	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Flibanserin
Peak:m/z	Relative Intensity
59.01376	4.8
71.01384	1.0
83.85350	0.7
86.83532	0.8
90.92489	0.7
94.74764	0.7
101.02442	1.1
137.02420	3.1
138.03175	1.1
139.00351	0.8
145.02953	1.6
147.04543	1.0
151.04031	7.2
152.04755	2.7
156.75597	0.7
161.06073	0.8
163.04028	8.7
173.06134	1.0
174.03247	1.5
175.03999	23.2
176.04846	3.3
177.05580	5.2
180.04285	4.1
188.04759	6.1
189.05580	12.6
190.06369	43.2
191.07150	28.9
192.04358	1.6
193.05031	12.0
194.05870	4.2
203.07173	4.6
204.07999	1.1
205.08716	23.4
207.06645	8.4
208.07416	24.7
215.12918	1.1
222.08966	6.5
223.09746	1.1
235.42062	0.8
259.64105	1.0
299.41705	0.9
329.16656	0.7
359.11414	1.1
374.13892	3.0
389.16135	100.0
389.25531	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1612
Annotation	4-[(2s,3r,4r)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Peak:m/z	Relative Intensity
56.95938	1.1
59.01385	13.5
79.95727	1.4
134.03738	5.1
135.04530	2.6
150.03198	7.0
152.04800	2.0
163.04047	1.4
165.01939	1.4
165.05566	8.2
178.02718	2.4
179.07135	17.7
180.04260	5.7
180.07913	43.2
190.06400	1.3
193.05040	6.0
194.05891	2.1
194.09557	4.6
195.06584	6.5
195.10248	2.3
208.07405	14.8
212.06938	3.1
223.09784	43.0
226.02802	2.6
226.08496	6.3
227.03513	100.0
325.11371	1.2
326.08051	1.7
329.10406	7.2
341.10440	14.6
345.13696	1.7
356.12811	1.3
359.14978	10.5
371.15048	8.0
389.08890	20.5
389.16220	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1642
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
50.82381	1.1
57.03459	1.1
58.24549	1.0
59.01377	10.3
61.98814	9.1
62.14180	1.3
63.40485	1.2
63.96219	1.2
71.04992	1.5
78.98576	1.3
79.95731	47.9
80.96511	2.0
86.00095	1.1
88.94564	1.2
92.22463	1.3
95.95216	1.2
96.96000	96.6
97.07765	1.3
103.50439	1.4
151.00697	6.3
171.10301	2.0
177.01981	1.5
182.22603	1.4
191.03712	1.9
211.13341	1.5
223.16963	1.3
225.14746	1.6
251.16524	5.7
251.27522	1.3
289.18472	1.4
291.19733	4.9
309.20554	1.5
319.04831	1.4
389.16354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62787	0.5
59.01384	2.9
71.01357	0.7
78.95903	100.0
79.95740	9.3
80.96507	3.2
96.96959	16.9
100.41965	0.6
125.09654	0.9
129.73236	0.7
165.12958	0.8
170.08282	0.7
176.99602	3.1
177.03242	0.7
183.13866	3.3
185.06081	4.1
187.09747	1.0
227.12875	1.1
267.11472	0.7
291.19513	0.7
309.20813	1.0
325.11920	9.5
327.67459	0.7
357.14551	10.2
371.16281	1.0
387.60217	0.7
389.17313	74.4
389.25653	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1739
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
54.62787	0.5
59.01384	2.9
71.01357	0.7
78.95903	100.0
79.95740	9.3
80.96507	3.2
96.96959	16.9
100.41965	0.6
125.09654	0.9
129.73236	0.7
165.12958	0.8
170.08282	0.7
176.99602	3.1
177.03242	0.7
183.13866	3.3
185.06081	4.1
187.09747	1.0
227.12875	1.1
267.11472	0.7
291.19513	0.7
309.20813	1.0
325.11920	9.5
327.67459	0.7
357.14551	10.2
371.16281	1.0
387.60217	0.7
389.17313	74.4
389.25653	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63650	1.1
59.01382	100.0
66.04530	1.2
71.01385	11.7
73.02955	1.7
74.90546	1.1
85.02953	2.7
89.02435	22.8
101.02436	12.9
104.94495	1.2
107.06016	1.2
113.02422	9.0
119.03490	6.4
161.04581	6.0
179.05620	2.5
203.95682	1.4
329.16144	39.9
389.18277	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.72005	0.9
71.01371	15.9
72.01294	0.9
73.02949	5.4
83.01370	1.3
85.02942	6.5
86.70089	0.9
95.01339	0.9
99.00868	1.1
101.02449	11.1
113.02464	7.9
147.30716	0.8
161.04575	13.5
164.65816	0.9
167.10779	1.4
329.16110	40.9
333.24988	1.1
389.18335	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54332	0.7
58.97052	0.6
59.01380	100.0
71.01382	12.1
73.02953	5.6
83.01412	1.4
85.02954	2.0
89.02453	1.1
95.01391	0.9
99.00908	0.9
101.02439	11.7
113.02422	7.5
123.83578	0.8
124.09185	0.8
139.30865	0.8
153.31683	0.7
161.04556	9.5
167.87071	0.7
280.59909	0.8
329.12180	1.3
329.16107	35.1
359.15152	3.6
389.18341	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01388	13.0
73.02930	2.4
85.02954	6.6
99.00860	2.5
101.02464	13.6
101.29166	1.3
105.95190	1.5
112.51221	1.4
113.02448	5.9
137.40942	1.5
154.12680	1.4
161.04610	10.4
258.11227	1.4
278.09290	1.6
329.16049	33.3
389.18161	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.88996	0.7
64.59750	0.6
71.01374	9.2
78.13301	0.8
83.88013	0.7
85.02952	1.2
88.71284	0.8
89.02435	12.6
101.02417	5.9
109.34505	0.7
113.02452	3.8
119.03504	6.0
130.86501	0.8
143.03496	1.1
145.55121	0.7
160.33012	0.7
161.04584	1.7
164.04727	0.8
176.86755	0.8
179.05611	8.8
389.18195	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01382	35.4
61.98824	4.4
63.30047	2.1
65.03967	31.6
65.61810	2.4
66.42861	2.0
69.73044	2.1
71.05021	18.8
86.75237	2.3
97.06577	46.6
119.08639	5.0
121.06578	62.5
123.08208	3.6
125.09715	41.4
164.08455	3.0
176.90640	2.6
179.10605	4.3
185.11833	57.5
189.12874	11.0
207.10046	68.5
209.11748	26.3
211.13385	27.9
217.12276	3.0
235.13399	49.4
249.14827	2.6
257.11600	47.7
289.18170	11.9
307.19107	56.6
311.16260	4.6
329.17273	100.0
389.09064	3.1
389.19492	76.7
393.41858	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.219
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.25159	2.1
50.27840	2.1
55.01883	6.1
57.03454	2.7
59.01102	4.4
59.01384	100.0
61.08874	2.5
69.02209	2.3
71.01382	87.5
73.02949	37.4
83.01386	12.1
85.02956	62.4
86.69170	2.4
87.00861	4.9
89.02425	27.8
95.01399	4.6
95.05616	2.4
98.36926	2.4
99.00890	15.5
99.57570	2.6
101.02440	82.0
113.02460	41.2
119.03502	11.7
129.01935	2.7
136.37936	2.7
143.03436	3.9
147.85127	2.7
150.03229	3.5
159.02930	13.0
161.04572	50.9
165.05486	4.2
171.26627	2.6
179.05551	4.1
191.05415	2.9
193.05038	3.9
195.06723	3.2
209.11917	5.1
213.14064	2.8
227.16693	3.4
327.09940	5.9
341.10370	3.4
349.70255	2.6
389.13254	5.1
389.17856	14.1
389.22009	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
52.79212	1.5
53.80931	1.9
57.32146	1.6
59.01381	100.0
62.78872	1.7
71.01376	55.4
73.02937	1.8
79.96806	1.8
85.02955	18.4
86.92480	1.9
87.00854	2.7
89.02435	77.0
95.01381	2.5
101.02437	33.6
113.02463	22.5
113.31526	1.9
119.03478	22.6
121.02896	2.4
134.03754	8.0
143.03508	2.4
150.03217	2.7
151.04041	2.3
161.04559	8.3
165.05568	12.4
178.10686	2.0
179.05678	14.7
193.05016	9.1
195.06653	2.5
209.46321	2.0
276.63913	2.6
389.14252	2.6
389.21948	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
55.01863	1.2
57.03452	1.1
59.01099	1.1
59.01381	19.8
59.48003	0.8
61.98833	6.8
71.01379	16.3
73.02942	7.9
78.95901	20.6
79.95741	1.8
80.96507	1.6
83.01373	5.7
85.02947	12.1
86.00091	1.6
86.64288	0.9
91.82191	0.9
93.37388	1.0
95.01318	1.3
99.00861	1.9
101.02438	22.7
111.00882	1.0
111.45912	0.9
113.02457	8.2
116.93797	0.9
121.50316	0.9
125.09695	2.3
125.62478	0.9
138.09267	0.9
145.08708	2.0
179.14417	7.1
187.09735	1.1
197.15475	44.0
223.13432	1.4
241.14418	2.0
273.17059	22.4
277.52322	1.1
389.16956	11.3
389.21838	100.0
413.90555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32121	0.6
57.03434	0.6
72.30476	0.5
73.11244	0.5
91.51249	0.6
93.07114	0.8
121.10227	16.6
125.09717	8.8
137.18095	0.8
141.12881	0.8
145.02994	1.0
147.08069	1.0
172.59871	0.6
185.11838	18.8
197.11867	4.0
209.11913	1.1
211.13438	2.8
223.13420	0.8
236.13200	0.6
237.16780	0.6
247.20839	0.8
265.46683	0.7
291.19702	100.0
389.23053	1.0
389.27414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
67.94674	2.9
71.05023	38.0
73.10229	3.0
92.05050	18.2
92.23044	3.9
97.06582	13.7
113.02437	76.7
136.04048	14.3
152.99564	4.6
189.60785	2.8
219.15070	27.9
235.16847	5.5
291.19684	100.0
345.24359	4.1
389.23770	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2339
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
50.08007	1.9
59.01381	60.7
59.66755	2.4
61.98816	4.1
63.96243	76.5
70.37601	2.6
74.93076	2.4
74.93477	2.1
78.35655	2.2
79.95737	100.0
80.96523	11.9
96.96002	3.0
104.10520	2.6
108.02164	12.6
114.99808	2.2
121.02908	10.1
122.03783	2.8
123.04523	32.1
132.99625	10.3
176.08452	6.0
186.11145	2.6
189.09242	2.9
191.10883	3.2
192.11623	4.8
236.10596	5.2
260.14206	21.3
276.17313	4.2
291.19745	16.6
309.20691	4.3
320.16443	3.3
329.21045	3.7
389.19894	61.8
389.23502	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68960	64.9
58.23456	77.8
78.66000	81.8
78.76509	64.5
91.86230	80.6
94.27988	83.0
127.55582	75.1
138.77599	100.0
172.63924	91.9
210.37856	95.1
212.74849	82.1
317.30740	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62794	72.4
58.93224	77.7
60.02750	75.1
76.64938	78.1
78.89121	82.3
90.27554	72.2
92.44163	71.7
145.07022	100.0
224.77081	93.0
318.05972	86.9
378.01758	95.6
382.39529	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.255
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03465	1.2
59.01384	77.2
71.01378	9.2
73.02947	5.5
85.02938	1.8
87.04511	1.3
89.02458	6.4
90.30280	0.9
97.06574	1.2
101.02434	8.2
103.75440	1.0
113.02438	3.8
119.03545	3.9
123.08164	2.5
125.09666	1.4
152.08401	1.1
153.09254	2.2
155.10815	1.5
161.04584	1.9
171.10304	2.5
185.11882	1.2
187.09831	1.8
187.13438	2.2
201.11354	3.9
205.16074	1.1
206.64268	1.0
209.15575	1.3
215.12877	1.0
216.13634	2.0
220.88278	1.3
249.18637	1.5
269.06259	1.1
293.21332	7.1
310.94733	1.2
311.22507	2.2
329.23370	1.3
359.15228	1.3
389.17633	5.5
389.25641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2702
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
50.07474	1.6
55.67566	1.5
55.69258	1.8
59.01381	4.5
76.73884	2.2
77.84028	2.1
81.04265	1.9
118.93826	1.9
157.23245	2.5
157.74374	2.6
220.23000	2.0
233.11815	4.7
262.02887	2.1
345.27994	37.2
368.55753	2.1
389.27023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2702
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
59.01377	4.6
71.01365	2.4
105.85911	1.3
112.53719	0.9
118.86954	1.2
121.06535	1.6
163.31104	1.2
165.05629	3.9
167.21661	1.0
209.15514	1.4
233.11879	5.5
244.78232	1.2
301.21750	4.2
345.28027	30.9
389.27026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2702
Annotation	4651-67-6
Peak:m/z	Relative Intensity
50.19189	1.1
52.11663	1.3
56.42526	1.3
59.01370	3.5
64.28619	1.3
64.34289	1.2
67.74366	1.2
83.05058	2.0
89.36110	1.4
99.04528	2.0
106.72494	1.4
119.20509	1.4
122.03712	8.6
124.05300	3.1
136.66028	1.4
146.70540	1.5
161.40749	1.5
268.27301	1.5
277.21744	100.0
308.50177	1.5
326.22540	2.2
327.23425	5.6
341.24915	2.8
343.26563	5.9
359.25958	3.4
371.25745	11.6
389.27130	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39880	0.6
55.28536	0.6
56.22462	0.6
59.01385	100.0
80.98595	0.6
119.19049	0.6
132.45747	0.7
149.72705	0.7
165.13257	0.7
212.55441	0.8
334.10846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11033	0.6
54.40307	0.6
59.01383	100.0
72.94868	0.7
77.53425	0.8
80.22198	0.8
88.04031	1.1
99.12500	0.9
113.31014	0.9
135.03180	0.8
211.89828	0.9
274.24005	0.9
307.22726	2.0
357.75586	0.8
389.23111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.2
62.98032	0.7
71.01385	1.5
72.99303	29.8
76.56387	0.9
78.24546	0.9
85.99054	0.9
87.85211	0.9
89.02433	1.8
93.46414	0.9
101.02486	1.0
121.02932	4.8
123.04494	8.0
135.04524	2.0
144.04576	6.1
147.03229	1.9
147.11830	1.3
148.04082	9.7
148.12154	2.2
149.02429	1.7
150.03189	1.3
175.02748	4.0
184.80403	0.9
188.03488	1.1
222.04175	1.1
224.07217	7.6
229.07445	1.6
236.07115	2.1
242.08253	100.0
254.08180	11.1
255.36932	1.0
266.08212	6.4
272.09451	1.2
280.06171	4.8
298.07257	5.2
310.07181	17.3
316.08316	37.6
316.12000	1.3
328.08255	14.8
354.06357	8.7
372.07440	8.0
390.08337	17.2
390.18546	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03465	0.7
56.71943	0.7
59.01352	1.2
59.57242	0.8
65.29478	0.9
67.16101	0.9
72.99300	25.9
77.42209	1.0
80.94946	0.9
83.18082	0.9
110.55206	0.8
115.30442	1.1
121.02921	4.8
123.04520	9.2
132.04565	1.2
135.04512	1.8
144.04533	4.0
147.03230	1.6
148.04083	9.3
149.02429	4.4
150.03232	1.5
167.44182	1.2
175.02718	5.7
210.88397	1.0
222.04143	1.0
224.07100	7.6
236.07167	1.7
238.08556	1.1
242.08247	100.0
254.08301	11.9
266.08279	5.0
267.73541	1.0
272.09253	3.6
276.70441	1.0
280.06165	4.0
298.07230	6.1
298.10623	1.0
310.07275	15.9
316.08264	38.1
328.08344	12.8
354.06299	8.4
372.07397	5.5
386.61664	1.2
390.08380	18.8
400.71802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
60.01708	0.7
72.98891	0.9
72.99300	25.2
74.18732	0.7
86.79379	0.6
93.03424	1.2
95.64381	0.8
116.59342	0.7
121.02941	4.3
123.04535	7.7
133.22676	0.7
135.04507	0.9
137.02455	1.3
138.02777	0.7
144.04535	6.2
146.02502	0.8
147.03218	2.7
148.04034	12.4
149.02443	3.2
150.03099	0.8
150.05600	1.1
159.48233	0.6
165.05513	1.0
166.02293	1.0
166.05864	1.3
175.02769	3.8
193.05025	1.0
222.04037	1.4
224.07152	9.8
229.07475	1.3
236.07117	1.4
239.05882	1.0
242.08235	100.0
248.07344	0.9
254.08244	13.7
266.08151	7.8
272.09293	3.6
280.06052	3.2
282.07739	1.2
298.07208	7.2
310.07242	15.6
316.08252	37.2
328.08209	12.4
342.10687	1.2
354.06226	7.5
372.07199	7.5
390.08334	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
68.63101	0.9
71.01357	1.0
72.99302	24.6
80.86450	0.9
82.20847	1.0
95.35918	0.9
120.04547	1.1
121.02961	5.6
123.04498	4.8
135.04570	1.4
144.04539	6.9
147.03273	1.7
148.04054	6.4
149.02441	2.2
153.93033	1.3
175.02795	4.5
208.66347	1.1
222.04047	1.4
224.07138	7.3
236.07162	2.4
242.08243	100.0
254.08247	12.0
266.08273	6.7
280.06137	2.4
298.07242	5.2
308.78110	1.2
310.07306	16.0
316.08264	38.0
328.08234	10.3
347.17093	2.2
354.06158	6.4
372.07141	4.8
390.08289	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91515	1.6
69.15218	2.0
77.96014	1.7
78.03257	1.8
98.02467	83.7
106.80470	2.1
124.01614	4.7
139.04015	4.0
143.33057	2.4
144.23979	1.9
150.01974	60.1
167.02182	3.9
182.04602	66.3
208.02608	3.0
229.57780	2.4
246.79153	2.2
261.06430	3.3
262.07184	33.3
274.17786	2.0
314.06567	7.9
346.09332	100.0
372.07123	3.6
384.35400	2.2
390.08453	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
68.63101	0.9
71.01357	1.0
72.99302	24.6
80.86450	0.9
82.20847	1.0
95.35918	0.9
120.04547	1.1
121.02961	5.6
123.04498	4.8
135.04570	1.4
144.04539	6.9
147.03273	1.7
148.04054	6.4
149.02441	2.2
153.93033	1.3
175.02795	4.5
208.66347	1.1
222.04047	1.4
224.07138	7.3
236.07162	2.4
242.08243	100.0
254.08247	12.0
266.08273	6.7
280.06137	2.4
298.07242	5.2
308.78110	1.2
310.07306	16.0
316.08264	38.0
328.08234	10.3
347.17093	2.2
354.06158	6.4
372.07141	4.8
390.08289	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
71.01386	2.6
71.67373	0.5
79.29573	0.5
88.08472	0.5
89.02429	0.5
93.03455	9.6
99.04483	0.6
107.05033	0.7
111.04548	4.3
125.06049	3.1
137.02446	2.4
155.03481	3.3
169.05057	17.5
172.40930	0.5
173.04546	100.0
184.91602	0.6
189.61209	0.6
191.05630	9.8
193.05066	0.7
209.31870	0.5
216.05122	10.5
232.13408	0.7
244.31337	0.6
324.39520	0.6
324.43680	0.6
330.13443	1.0
343.10397	19.2
390.10446	3.0
390.14972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73713	1.0
62.60507	1.2
68.28297	1.0
73.28926	1.3
87.41956	1.4
93.03448	2.3
95.05022	8.2
99.00887	1.2
109.21100	1.4
111.04503	2.5
115.56528	1.2
116.07182	1.4
122.06121	1.4
125.06087	13.8
125.11810	1.5
130.08736	1.8
155.03503	5.4
168.38956	1.2
169.05061	100.0
173.04568	28.5
176.42111	1.4
191.05637	37.5
216.05132	20.6
228.14433	1.5
292.52679	1.4
305.87631	1.4
343.10361	52.3
390.10275	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24082	0.4
50.58438	0.4
53.27521	0.4
59.01375	0.8
73.02957	0.7
78.95903	8.7
79.35733	0.4
79.84330	0.5
91.58702	0.4
96.96004	0.6
96.96954	19.9
101.02435	6.9
101.69895	0.5
108.04301	0.5
110.09709	0.5
115.07672	1.0
128.03575	0.6
130.08733	100.0
171.22867	0.5
172.09796	2.3
177.06906	0.5
191.05721	0.5
192.05959	0.8
202.10873	19.9
205.02489	0.5
214.10854	0.6
216.05608	1.0
232.11893	0.6
244.11870	1.0
258.06622	0.6
274.13019	0.5
292.14069	16.8
372.09741	0.9
390.10962	30.9
390.69403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16222	0.3
56.82163	0.3
59.01377	0.9
59.95192	0.3
63.95572	0.3
65.68543	0.3
69.20188	0.3
73.02946	2.2
75.82569	0.4
85.02944	0.5
91.60957	0.4
93.03442	1.4
99.74413	0.4
101.02449	9.1
110.09805	0.6
111.04548	0.4
115.07624	0.5
116.72850	0.3
127.15777	0.3
130.08737	100.0
139.49094	0.3
153.88280	0.4
156.10338	0.3
169.05022	1.4
172.09892	1.4
173.04526	6.3
191.05630	2.2
202.10876	9.8
291.08163	0.5
314.09555	0.4
343.10480	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07726	0.8
61.98833	100.0
66.77444	0.8
78.98589	1.4
80.96507	3.7
100.46952	1.0
114.81440	0.9
120.35644	0.8
126.57872	1.0
136.87982	1.0
160.12006	1.3
164.07204	5.7
177.40942	1.0
178.87527	1.0
184.91861	0.8
283.19165	5.3
301.05072	1.0
327.18036	7.4
390.19540	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1928
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
61.98833	45.9
72.00920	1.9
78.21179	1.1
79.05832	1.1
125.09673	1.5
147.04512	22.9
149.35265	1.3
162.97536	1.2
163.11337	2.6
164.07176	72.1
172.48016	1.1
181.12325	7.6
190.97723	1.1
207.10292	23.1
209.11830	1.2
224.13057	8.3
225.11325	16.9
264.79459	1.1
265.77399	1.5
275.16693	1.2
346.20822	1.3
390.19281	100.0
405.11444	1.1
409.15912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57899	0.5
59.01378	10.6
61.98840	9.9
62.33793	0.5
79.95262	1.3
79.95736	34.5
80.96516	61.2
95.95216	0.8
96.96003	26.6
101.68801	0.6
111.34803	0.6
131.32549	0.6
141.12857	3.3
149.09723	1.2
152.59947	0.6
156.10281	1.2
170.11847	2.1
179.14464	1.2
181.16017	4.5
184.09775	0.9
227.62846	0.6
292.22894	16.5
330.26593	5.2
371.17493	0.7
390.19638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89066	0.5
55.48096	0.5
59.01384	8.0
60.08095	0.5
61.98834	100.0
71.15041	0.6
75.63728	0.5
123.63216	0.5
150.11752	0.6
154.50502	0.5
157.12367	0.5
170.11948	0.7
209.11761	1.0
246.65916	0.6
327.21716	2.2
330.26459	4.3
353.88168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77895	0.5
56.07024	0.5
59.01385	20.7
61.98835	100.0
62.03834	0.6
73.12907	0.6
96.80890	0.6
156.10196	0.7
173.41188	0.6
186.11366	1.0
330.26642	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.17139	0.9
73.29102	1.0
80.96521	1.1
86.56325	1.0
92.07103	0.9
92.23130	1.9
94.25545	1.0
109.38825	1.2
147.04529	1.9
164.07129	10.1
181.12260	1.2
207.10213	2.4
225.11365	1.1
256.12598	1.1
285.28809	1.1
390.19357	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54331	0.8
58.59935	0.9
59.01376	4.8
61.98830	100.0
78.95911	1.6
80.96509	1.7
96.96011	1.1
126.25423	1.0
146.31628	1.0
147.11084	1.0
152.65627	1.0
160.90933	1.0
298.71597	1.0
300.67996	1.1
330.26462	2.1
345.98672	1.0
390.19980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63148	1.1
58.25922	1.2
61.98833	100.0
70.62103	1.1
73.87183	1.0
78.98611	2.1
79.35525	1.2
79.89960	1.0
96.95993	1.6
103.92309	1.2
109.18163	1.1
158.89473	1.3
180.53587	1.3
209.45370	1.1
247.18576	1.1
323.89456	1.3
390.16278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
60.33829	0.5
61.98836	100.0
63.07141	0.4
63.50340	0.4
95.71783	0.6
99.01438	0.6
128.59587	0.6
148.17453	0.6
218.61359	0.6
245.00015	0.5
256.60269	0.6
330.26593	0.8
350.14990	0.6
397.05029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60236	1.2
53.82212	1.2
59.01383	100.0
59.62123	1.3
60.40546	1.3
61.98841	17.8
88.90982	1.8
94.74329	1.7
101.54135	1.4
125.42831	1.4
141.12866	3.3
157.12337	8.3
170.11893	10.3
181.78055	1.5
182.11861	3.7
198.96161	1.6
200.12979	11.6
204.69292	1.6
330.26538	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65560	1.3
59.01384	100.0
61.98829	1.9
63.75119	1.3
66.37596	1.6
70.50695	1.5
73.02934	1.9
94.15176	1.6
95.73655	1.8
147.12914	1.6
156.10303	2.2
181.80824	1.5
272.04968	1.6
330.26563	44.2
395.14456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65175	0.8
57.45745	1.1
59.01381	100.0
59.65794	0.9
61.98807	1.7
62.69596	0.8
63.05562	0.9
64.83157	0.8
65.29855	0.9
79.95731	1.3
80.96511	2.3
84.42892	1.0
96.95998	11.2
99.08122	1.5
115.07623	5.7
117.42851	1.0
143.10793	4.1
184.13470	4.3
196.13533	1.6
208.17165	1.3
212.16608	7.0
214.14517	2.1
224.16618	5.4
226.17978	1.1
242.17577	6.0
318.74506	1.0
330.26523	63.9
390.19635	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	1.2
58.60091	1.2
59.01385	100.0
61.98839	21.0
67.88826	1.2
76.45888	1.2
98.28329	1.2
123.73945	1.2
155.10815	2.1
157.12372	11.0
170.11877	7.6
182.11938	1.9
200.12953	8.6
208.54898	1.3
210.98579	1.3
294.70837	1.6
314.84161	1.3
330.26547	58.8
390.21155	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12356	1.1
59.01385	100.0
61.98835	42.7
62.90362	1.0
64.14169	0.9
70.65564	1.0
71.07762	1.0
73.02972	1.0
79.95746	1.5
96.96001	2.1
137.97757	1.2
143.10835	2.3
157.12317	2.7
160.67311	1.1
170.11810	2.6
182.11897	1.8
184.13449	1.6
196.13466	2.1
200.12915	5.0
228.83492	1.1
305.04831	1.1
330.22858	2.1
330.26559	48.1
368.42517	1.3
390.19696	1.9
400.90463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67526	1.5
52.59628	1.4
59.01385	100.0
61.98835	59.1
62.46539	1.6
64.35969	1.7
79.95727	6.5
80.96523	12.1
96.95998	9.9
104.14722	1.9
114.76472	1.8
116.64148	1.9
129.09204	4.6
153.73553	1.9
187.50220	2.0
194.15495	2.0
198.14996	8.4
210.15042	3.6
228.16051	8.1
241.95506	2.3
292.22824	2.3
300.08215	1.9
328.30042	2.0
330.26550	68.1
390.19580	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81057	2.4
57.18908	2.2
59.01105	3.6
59.01386	100.0
61.98829	31.5
75.84613	1.8
76.58763	2.2
91.31866	2.1
96.17696	2.0
128.89418	2.1
135.63036	2.2
156.10280	9.4
171.13913	4.9
174.53268	2.0
186.11369	5.0
280.48303	2.0
330.26535	55.1
400.11401	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87951	0.4
59.04755	0.4
60.32946	0.5
95.32136	0.7
128.10834	2.6
129.24963	0.6
130.08737	100.0
235.23265	0.6
371.83493	0.6
390.30194	61.7
397.49829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88830	0.7
64.65578	0.8
75.28721	0.8
122.03748	3.3
123.04514	36.1
135.04468	3.0
254.24915	4.8
327.07590	0.8
390.30191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81360	0.2
59.01383	2.1
61.98831	5.9
71.01373	0.7
72.99296	0.3
78.95898	7.8
79.95729	0.5
80.96490	0.6
96.96942	1.7
101.02457	0.5
129.74295	0.3
132.43895	0.3
140.47722	0.3
201.85149	0.3
225.17088	0.3
229.18114	2.7
234.41745	0.3
253.27728	0.3
293.04602	0.3
299.06943	0.3
319.05981	0.5
320.03134	2.1
335.05743	3.1
336.02933	0.4
347.05695	2.6
348.02573	3.2
349.03650	2.1
352.02274	0.4
353.97107	0.3
391.04633	100.0
391.18689	7.0
391.23520	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51042	1.3
52.98361	1.3
59.01105	2.6
59.01383	58.7
61.61655	1.5
71.01378	9.8
73.02963	2.4
83.01380	1.8
84.32426	1.5
85.02943	31.9
89.02443	7.0
101.02440	25.6
113.02446	3.2
119.05011	48.6
121.02931	6.3
123.04536	1.8
127.07793	1.6
129.01935	100.0
135.96291	1.8
136.05276	3.7
147.02991	18.1
150.03186	18.8
151.03979	2.2
161.04536	2.6
163.04022	18.7
164.04788	2.7
165.05582	12.5
171.10388	1.9
180.04317	2.1
195.06648	10.7
217.08743	3.0
261.07669	57.3
311.09076	2.5
331.17612	16.1
332.66431	1.7
343.11963	22.7
353.92517	1.7
391.14063	17.8
391.19479	13.2
391.23895	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51042	1.3
52.98361	1.3
59.01105	2.6
59.01383	58.7
61.61655	1.5
71.01378	9.8
73.02963	2.4
83.01380	1.8
84.32426	1.5
85.02943	31.9
89.02443	7.0
101.02440	25.6
113.02446	3.2
119.05011	48.6
121.02931	6.3
123.04536	1.8
127.07793	1.6
129.01935	100.0
135.96291	1.8
136.05276	3.7
147.02991	18.1
150.03186	18.8
151.03979	2.2
161.04536	2.6
163.04022	18.7
164.04788	2.7
165.05582	12.5
171.10388	1.9
180.04317	2.1
195.06648	10.7
217.08743	3.0
261.07669	57.3
311.09076	2.5
331.17612	16.1
332.66431	1.7
343.11963	22.7
353.92517	1.7
391.14063	17.8
391.19479	13.2
391.23895	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71032	0.4
58.14466	0.4
70.94074	0.4
77.61731	0.4
78.95908	0.9
81.33246	0.5
83.39922	0.5
85.52511	0.6
92.23085	0.5
93.03474	0.9
96.96957	2.0
101.02447	0.9
102.05247	0.5
102.29546	0.5
108.78460	0.5
110.84464	0.4
111.00904	0.6
111.04483	0.6
111.79871	0.5
113.03569	1.1
114.01939	0.6
131.04626	13.0
132.24100	0.4
152.79083	0.5
173.04565	0.9
175.05820	0.5
203.06761	1.1
217.05312	3.5
231.79263	0.5
238.44525	0.5
293.09949	3.8
316.63586	0.5
379.39398	0.6
391.10620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84823	0.2
78.52465	0.2
78.95900	0.5
81.89894	0.2
83.36134	0.3
91.23088	0.3
93.03419	0.4
101.02430	0.3
110.98518	1.5
111.04478	0.4
113.03519	0.5
115.71983	0.3
127.04053	0.3
131.04637	2.0
133.01402	0.4
135.04541	0.4
143.03532	0.3
154.21776	0.3
173.04596	0.5
179.05676	0.3
181.05066	0.6
189.95441	0.3
191.05634	4.1
216.99063	0.4
217.05296	1.7
222.17343	0.3
228.10522	0.3
244.99709	1.1
246.34155	0.3
317.79767	0.3
391.10599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1224
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
50.66459	1.1
59.01377	5.9
64.43245	1.1
66.95440	1.3
68.55775	1.3
70.98521	1.2
71.03211	1.1
71.05016	3.2
81.35116	1.4
84.93873	2.7
88.64606	1.3
99.92580	100.0
100.93363	19.2
105.67476	1.3
115.92060	22.1
116.92856	98.7
119.47173	1.5
119.86623	1.4
145.99013	1.3
148.02501	1.3
186.08493	1.3
189.97485	1.3
205.15988	1.4
219.36421	1.4
221.59370	1.4
260.33212	1.3
261.18594	5.5
297.18307	10.4
313.17868	3.1
329.17569	3.1
373.11090	35.6
387.09091	8.6
391.12268	93.6
391.25177	9.7
405.10156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53678	0.7
55.57486	0.8
59.01100	1.4
59.01379	25.6
66.36546	0.8
67.01883	2.2
71.01373	11.4
71.82957	0.7
89.02425	16.4
101.02446	7.9
111.00867	100.0
113.02404	6.3
119.02684	0.9
119.03482	5.9
121.67822	0.9
161.04546	1.0
220.22610	0.9
279.07724	1.6
279.10843	48.1
331.17749	1.3
391.12479	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1251
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
56.86063	1.1
57.03442	2.9
59.01109	2.6
59.01382	49.6
66.10739	1.2
71.01375	25.3
72.99271	1.1
75.00878	21.9
76.79465	1.1
85.02945	14.2
87.00846	2.6
89.02432	8.9
97.02941	15.9
99.00880	30.8
101.02430	6.0
111.00869	1.7
113.02448	2.5
115.04001	84.9
119.03468	1.6
129.01936	20.9
131.03479	1.6
131.07166	1.4
177.04047	23.4
179.05603	1.7
181.25731	1.5
244.02577	1.2
331.17538	5.7
382.51593	1.4
391.12436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1251
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
54.44720	1.8
56.36542	1.7
59.01101	3.8
59.01383	69.8
60.27003	1.7
67.01901	2.9
71.01380	34.0
73.02938	19.2
75.05428	1.8
83.01377	4.0
85.02952	20.0
89.02422	5.1
90.53662	2.0
98.63717	1.9
99.00858	13.3
101.02428	39.0
104.01012	2.0
111.00870	97.2
111.79153	2.1
113.02442	29.5
118.72054	1.9
149.47957	2.4
159.02960	2.2
161.04561	13.3
166.02519	2.2
172.11954	2.1
185.16522	2.6
194.62442	2.2
229.15593	8.0
259.08240	24.2
279.10886	3.3
279.78091	2.0
301.17590	2.3
331.17606	15.9
364.71725	2.2
391.12515	100.0
391.20020	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53678	0.7
55.57486	0.8
59.01100	1.4
59.01379	25.6
66.36546	0.8
67.01883	2.2
71.01373	11.4
71.82957	0.7
89.02425	16.4
101.02446	7.9
111.00867	100.0
113.02404	6.3
119.02684	0.9
119.03482	5.9
121.67822	0.9
161.04546	1.0
220.22610	0.9
279.07724	1.6
279.10843	48.1
331.17749	1.3
391.12479	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86063	1.1
57.03442	2.9
59.01109	2.6
59.01382	49.6
66.10739	1.2
71.01375	25.3
72.99271	1.1
75.00878	21.9
76.79465	1.1
85.02945	14.2
87.00846	2.6
89.02432	8.9
97.02941	15.9
99.00880	30.8
101.02430	6.0
111.00869	1.7
113.02448	2.5
115.04001	84.9
119.03468	1.6
129.01936	20.9
131.03479	1.6
131.07166	1.4
177.04047	23.4
179.05603	1.7
181.25731	1.5
244.02577	1.2
331.17538	5.7
382.51593	1.4
391.12436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34945	0.4
54.42881	0.5
56.77053	0.5
59.01367	0.5
60.21056	0.6
70.02969	1.4
71.02501	1.1
72.00877	0.7
73.02958	1.0
95.02500	3.2
101.02431	18.2
111.01987	2.5
113.03568	28.6
114.01974	12.9
131.04617	100.0
134.28516	0.6
198.80325	0.6
199.06253	0.5
203.06770	17.2
275.08850	0.7
391.13458	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1403
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
59.01382	44.1
71.01386	8.0
73.49553	1.7
81.26299	1.6
81.88921	1.4
85.02979	6.3
91.56709	1.6
101.02435	6.7
121.02924	2.4
123.04509	4.0
132.02216	1.8
133.02936	2.8
135.04515	6.6
136.05289	32.0
137.06068	3.8
149.02440	12.7
149.06093	1.9
150.03218	92.5
151.03992	17.3
151.07617	3.7
164.04832	15.3
165.05569	60.9
180.04372	3.9
181.05096	8.2
195.06650	48.6
275.40781	1.6
283.09653	13.9
284.10519	10.0
311.09262	14.0
331.17871	5.7
343.11902	100.0
391.14081	75.6
391.19427	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12841	1.5
55.98778	2.1
59.01384	26.9
65.41070	1.7
89.78900	2.3
99.33930	1.9
101.02415	2.9
115.52502	1.9
118.30807	2.4
121.02904	4.4
123.04567	4.1
133.02951	3.4
135.04552	3.0
136.05289	31.3
149.02426	11.3
150.03217	81.4
151.03981	18.8
164.04712	14.8
165.05569	65.4
180.04225	2.5
181.05072	4.6
195.06657	51.8
283.09714	11.7
284.10541	8.3
311.09506	16.6
342.08612	2.5
343.11887	100.0
391.14078	77.4
391.19565	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1534
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
52.24134	0.3
57.49065	0.3
59.01385	1.6
60.15438	0.3
61.98838	1.7
73.52373	0.3
76.82178	0.4
78.95899	25.9
79.59025	0.3
79.95728	0.7
87.35138	0.3
96.96962	5.7
100.09892	0.4
150.98032	1.5
152.99583	100.0
171.00647	4.0
187.53468	0.5
223.23172	0.4
237.14990	1.6
316.68924	0.4
383.87543	0.4
391.15237	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
59.01384	100.0
65.25349	1.6
66.79314	1.6
71.01386	20.9
73.02948	10.5
83.01368	8.4
85.02939	12.8
89.02460	3.0
95.01403	3.0
100.79849	1.7
101.02454	26.3
106.04829	1.7
113.02450	10.2
150.03221	11.8
161.04573	2.3
165.05550	4.0
185.11813	10.9
241.14825	1.8
323.95401	2.2
331.17746	16.2
343.11810	10.2
347.17133	31.5
377.00833	2.0
391.16116	78.4
391.20212	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
59.01384	100.0
65.25349	1.6
66.79314	1.6
71.01386	20.9
73.02948	10.5
83.01368	8.4
85.02939	12.8
89.02460	3.0
95.01403	3.0
100.79849	1.7
101.02454	26.3
106.04829	1.7
113.02450	10.2
150.03221	11.8
161.04573	2.3
165.05550	4.0
185.11813	10.9
241.14825	1.8
323.95401	2.2
331.17746	16.2
343.11810	10.2
347.17133	31.5
377.00833	2.0
391.16116	78.4
391.20212	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01385	6.1
73.02966	1.3
77.74615	1.3
85.02949	94.7
93.95013	1.2
99.04541	4.6
101.02467	2.0
113.02441	4.9
161.04610	1.8
331.14536	15.1
331.17117	14.3
391.19760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
59.01382	100.0
64.90459	1.1
71.01381	4.3
73.02932	8.7
82.87769	1.0
86.26668	1.2
96.72289	1.0
101.02473	2.5
161.04657	1.2
169.08708	13.9
188.28224	1.2
206.19589	1.2
225.20532	1.2
235.86411	1.0
331.13947	17.6
331.17697	7.4
391.19934	2.6
408.96594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97888	1.3
59.01384	100.0
62.43226	1.1
71.01386	14.5
73.02956	2.2
74.76959	1.5
85.02952	8.4
85.06584	6.1
85.62562	1.4
89.02444	19.3
91.41930	1.5
92.22390	2.0
97.02940	19.7
101.02442	16.8
113.02435	6.5
115.04001	43.2
119.03494	7.8
131.03503	1.4
131.07137	62.1
161.04590	1.7
174.70120	1.6
179.05620	7.6
277.89450	1.7
280.76740	1.6
293.12491	40.3
331.17621	11.6
391.16016	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.9
59.01380	100.0
66.68359	0.7
71.01366	3.2
73.02940	9.3
74.91965	0.7
82.21835	0.7
86.31409	0.6
89.02419	1.4
92.23135	1.7
101.02415	1.6
113.02474	1.5
144.16391	0.7
167.07103	1.0
169.08688	20.8
169.09984	0.8
181.29340	0.7
222.45390	0.8
307.32977	0.7
331.14059	23.9
331.17670	2.4
391.15741	5.4
391.20413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1769
Annotation	Neocynapanogenin C
Peak:m/z	Relative Intensity
50.83853	0.8
51.61726	0.8
59.01109	2.0
59.01383	40.5
61.97357	1.0
62.00962	0.8
71.01369	5.9
73.35229	0.9
73.52295	1.1
89.02435	6.1
100.19091	0.9
100.38689	0.9
101.02426	2.0
109.02950	2.1
113.02481	2.2
121.02956	3.7
122.03725	6.4
123.04513	1.6
125.02429	4.1
129.71667	1.0
136.05202	1.0
137.02435	14.4
138.03238	7.2
139.03986	4.9
143.03307	0.9
151.03986	2.0
152.04771	9.1
152.45436	1.0
163.04007	1.2
165.05592	12.0
166.06328	1.2
166.72356	0.9
177.05533	1.6
179.05579	4.9
179.07184	4.0
180.04327	1.6
181.05064	13.3
189.05617	1.3
194.05887	4.8
195.06667	21.8
207.06642	7.4
209.08305	3.1
313.10812	1.1
331.11835	15.4
331.17664	4.5
343.11792	1.2
345.13364	5.3
361.12955	23.7
376.15308	16.7
391.17657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24129	0.6
59.01365	5.0
59.39180	0.6
60.20478	0.8
61.98833	11.5
69.97839	0.6
73.42719	0.7
78.98586	1.6
79.95727	1.5
87.00859	1.0
87.04521	1.2
89.51485	0.7
96.96004	100.0
137.85928	0.8
162.02042	0.9
197.00298	0.8
201.11314	8.0
223.17078	9.9
275.20227	1.6
293.21228	1.7
311.22281	17.9
329.89252	0.7
391.17941	88.5
397.99402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.6
61.98822	6.8
73.90019	1.4
78.95902	100.0
78.96364	3.4
79.95740	2.3
80.90425	1.5
96.95980	2.3
96.96964	25.4
101.29342	1.6
109.49567	2.0
110.81139	1.5
121.13007	1.5
139.28975	1.5
144.11008	1.5
152.99544	1.5
324.03763	1.6
391.13910	3.1
391.18933	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1888
Annotation	Zoamide C
Peak:m/z	Relative Intensity
59.01368	4.3
61.98841	0.7
65.70041	0.6
72.59293	0.7
78.95901	100.0
96.95998	9.4
96.96946	13.0
106.46168	0.7
115.57209	0.7
126.24747	0.6
157.76630	0.7
183.27925	0.8
327.44687	0.8
340.90881	0.9
373.17734	1.2
391.19019	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64592	0.4
59.01381	3.3
63.72529	0.5
72.80931	0.4
74.23497	0.4
78.95902	41.0
87.79607	0.5
96.96011	0.7
96.96945	4.7
111.54342	0.5
137.09792	0.6
150.98003	0.9
152.99588	100.0
171.00652	3.3
207.09874	0.9
237.18593	3.0
243.50496	0.5
243.53740	0.5
266.88406	0.6
306.74704	0.5
309.20764	1.2
313.17810	0.9
391.18939	30.7
412.43738	0.6
413.38028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59121	0.5
52.07563	0.6
55.16381	0.7
57.28187	0.5
57.51439	0.6
59.01382	100.0
64.69466	0.5
71.01382	4.6
73.98099	0.8
79.94338	0.7
88.56959	0.6
89.02444	8.3
92.22509	1.3
101.02431	4.5
104.75062	0.7
113.02441	2.5
115.03966	1.0
119.03491	1.6
131.07155	1.4
138.80482	0.7
161.04727	0.8
162.67584	0.7
173.34261	0.6
174.45598	0.6
179.05634	7.0
204.06703	0.6
236.09390	0.9
293.12527	0.9
331.17480	1.2
391.15335	4.7
391.19720	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18020	0.7
53.67340	0.6
56.94658	0.6
59.01381	100.0
70.43427	0.7
71.01379	3.6
73.73827	0.6
81.33455	0.7
89.02444	1.4
101.02450	1.4
106.99803	0.7
113.02434	3.6
117.20783	0.8
161.04553	1.3
162.05774	0.8
167.26541	0.8
240.81543	0.7
331.17606	15.7
391.19785	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22980	0.7
54.73676	0.7
59.01382	100.0
63.32530	0.7
71.01388	4.1
73.02937	0.8
76.52518	0.8
82.39791	0.9
85.02959	3.0
89.02446	1.6
92.31764	0.8
99.00768	0.8
101.02435	5.6
113.02415	1.4
130.08730	8.7
131.09077	3.8
155.01646	0.8
200.04485	0.8
203.11307	1.0
210.87288	0.8
266.80338	0.7
331.17664	13.5
391.19913	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.1
69.36688	1.0
70.53621	1.0
71.01381	4.8
73.79463	1.0
75.04371	1.1
75.71485	1.0
78.59377	1.0
85.02968	1.2
87.87857	1.0
89.02433	8.8
101.02428	4.9
113.02471	1.7
119.03474	5.2
121.02933	1.8
122.03727	5.9
123.04487	1.2
125.02438	4.1
137.02473	13.6
138.03224	8.6
139.03990	4.7
151.03969	4.9
152.04784	4.8
158.52806	1.0
161.04572	1.5
165.05536	15.0
179.05672	3.2
179.07127	4.7
181.05045	11.9
194.05859	5.3
195.06635	18.8
207.06693	2.8
209.08176	2.6
331.11920	14.1
331.17587	11.5
345.13232	1.3
361.13040	22.1
376.15405	15.1
383.38123	1.1
391.17667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.41530	0.8
72.63607	0.9
79.95738	26.0
79.96186	1.4
80.96484	1.3
123.86225	1.0
162.98112	0.9
186.75696	0.9
199.63609	1.0
211.13385	1.6
219.06969	1.1
229.14406	1.3
391.17996	24.0
392.71371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71940	0.4
57.03445	0.5
59.01382	100.0
71.01387	3.5
73.02941	2.5
83.01422	0.7
85.02945	1.8
101.02455	3.1
113.02460	1.9
119.66931	0.5
147.31143	0.5
161.04572	1.9
169.08759	0.8
179.86598	0.5
207.64696	0.5
207.80759	0.5
229.01947	0.6
331.14023	1.8
331.17633	10.3
331.21292	0.6
391.19809	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57382	0.4
53.69245	0.5
55.95343	0.5
59.01382	100.0
71.01374	7.7
71.92638	0.5
73.02946	3.1
85.02963	4.1
89.02446	0.8
99.00887	0.5
100.86786	0.6
101.02438	7.9
113.02412	4.2
119.03559	0.7
140.75275	0.6
161.04591	5.2
164.17747	0.7
184.97852	0.6
204.72603	0.6
235.80249	0.6
303.19336	0.6
331.17639	25.0
343.46869	0.6
376.29913	0.6
391.15643	2.2
391.19916	13.2
399.15039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28295	0.9
56.74026	0.7
59.01382	100.0
62.10332	1.0
62.15936	1.0
66.55934	0.9
71.01375	15.5
73.02940	6.3
85.02953	6.9
88.28331	0.8
89.02402	1.4
92.23041	1.2
92.59342	0.8
99.00904	1.2
101.02441	12.2
110.55952	0.9
113.02439	9.3
119.16629	0.9
152.71391	0.9
159.02991	1.5
161.04544	18.8
163.07114	0.9
163.29492	0.9
169.12329	3.4
331.17639	40.1
388.44543	1.4
391.19812	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	50.6
61.98831	93.9
69.03469	6.5
79.95748	10.3
96.96004	28.4
107.08675	18.2
139.11255	5.0
155.10872	5.4
163.06511	4.6
171.10269	51.7
183.10263	76.6
205.08501	98.9
221.15453	36.1
239.16530	32.3
243.13628	59.2
251.16629	10.1
261.14755	5.6
275.12640	9.9
280.39377	4.7
291.19702	19.7
309.20734	100.0
331.17889	42.1
391.21579	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2111
Annotation	Arg Phe Ala
Peak:m/z	Relative Intensity
59.01379	50.4
71.05022	6.3
76.55942	3.3
80.96521	4.1
87.32280	3.7
97.06589	6.4
111.08197	5.8
126.56343	4.1
140.93434	4.4
147.08147	6.8
153.12862	5.3
164.07379	4.0
195.10292	5.1
197.11836	28.1
207.13853	5.2
209.15497	46.1
211.13498	6.5
216.87743	3.9
223.17009	7.8
225.14938	23.2
232.37837	4.4
233.11586	93.4
233.15367	4.6
251.16548	15.7
255.13814	3.9
273.14725	5.5
284.14108	5.4
291.19635	20.9
293.12320	4.9
309.20758	100.0
313.17957	62.6
331.18924	28.0
391.21146	64.4
391.25433	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.9
63.60488	3.2
63.78518	3.0
71.05051	3.8
91.05573	3.3
96.96045	4.9
105.89411	3.3
109.41536	3.4
149.49773	3.5
191.14503	4.4
193.08597	4.5
207.10077	4.5
217.16100	4.4
229.19656	5.3
245.19186	13.4
257.15262	4.7
259.13147	6.5
263.16583	5.1
273.14685	13.4
275.20129	7.2
285.14774	29.9
291.19568	27.5
295.16959	7.5
297.18369	100.0
313.17899	76.7
329.17502	23.8
331.18753	20.8
356.82187	3.5
375.20499	5.1
391.20419	5.8
391.25333	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09167	0.4
59.01384	2.1
78.95924	0.9
82.42941	0.4
87.26719	0.4
116.58974	0.4
152.99596	12.3
178.94748	0.5
227.55791	0.4
233.54163	0.5
255.23320	100.0
332.41147	0.5
347.09702	0.6
391.22617	24.6
391.27487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92477	0.3
59.01386	2.1
78.95917	2.1
84.96184	0.4
89.27267	0.4
126.60854	0.4
152.99583	13.1
157.63626	0.4
218.64815	0.4
219.41646	0.4
255.23315	100.0
293.21149	0.6
331.17484	0.4
391.22586	24.1
391.28067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2344
Annotation	Sedumoside A2
Peak:m/z	Relative Intensity
52.73693	0.5
59.01147	0.5
59.01389	9.8
60.43974	0.5
71.01379	8.3
73.02955	2.7
77.82432	0.5
78.95914	1.0
83.01386	1.0
85.02947	3.5
87.00883	0.6
89.02451	2.5
95.01379	0.6
101.02445	7.2
111.00894	0.6
113.02415	2.9
125.02430	0.7
142.27242	0.5
173.02475	0.9
211.17036	2.0
228.79546	0.5
229.18097	29.3
243.19794	0.7
296.83011	0.5
311.44791	0.5
338.64157	0.4
370.87631	0.5
373.22394	3.1
373.27060	0.5
391.23444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01384	10.0
71.01379	10.9
73.02934	2.4
78.95933	0.8
79.95734	3.1
80.96494	1.0
81.91664	0.6
83.01385	1.3
85.02941	3.7
87.00861	0.6
89.02438	2.8
101.02435	7.0
102.34265	0.6
113.02442	3.5
125.02386	0.9
129.94559	0.8
131.25752	0.6
141.54446	0.7
183.17374	0.8
211.17072	0.9
229.18100	36.7
273.25342	0.6
373.22391	3.8
384.96921	0.7
391.19000	3.9
391.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2344
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
51.56104	0.9
53.24576	1.0
55.01875	1.8
59.01383	96.5
71.01376	33.0
73.02943	9.3
75.00874	1.5
79.47496	1.2
83.01385	5.7
85.02942	22.3
87.00845	2.3
87.04519	6.8
89.02441	13.3
95.01401	2.1
99.00864	2.6
99.59911	1.0
101.02445	34.2
108.07159	1.2
111.00883	1.5
113.02451	17.6
119.03510	5.5
119.05042	2.3
121.51687	1.2
125.37901	1.3
129.01930	7.9
135.36823	1.2
150.03281	1.4
151.04044	1.1
159.03006	1.9
161.04515	8.8
173.04707	1.6
179.05771	1.6
204.49960	1.5
215.08798	1.3
232.09796	2.9
261.07678	2.9
331.17642	15.8
391.15131	5.8
391.19815	6.5
391.23544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71273	0.6
53.05095	0.5
58.26761	0.7
59.01384	12.7
62.28690	0.6
63.62121	0.6
63.96484	0.6
64.74857	0.6
70.10409	0.6
77.76665	0.6
84.39845	0.7
87.00869	0.7
98.02606	0.7
98.57256	0.7
105.01932	4.9
145.84976	0.7
175.98909	0.8
182.17654	0.8
198.05347	0.7
206.38393	0.7
255.23347	5.0
259.24265	1.5
285.22330	0.7
286.33780	0.8
296.73505	0.7
303.23331	100.0
383.43860	0.8
391.24817	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2496
Annotation	9,11-Dihydrogracilin A
Peak:m/z	Relative Intensity
50.66699	0.6
59.01387	24.1
60.11182	0.8
67.58125	0.9
75.61670	0.8
105.01930	5.9
109.04971	0.8
111.75903	0.9
150.39824	1.1
155.62740	0.9
161.97968	1.0
184.84911	1.0
205.19595	1.0
210.13737	0.9
245.85767	1.3
247.27821	0.9
254.24734	1.1
255.23257	4.5
259.24411	4.7
277.21686	4.5
278.72592	0.9
303.23340	100.0
331.17352	1.1
373.27756	1.5
391.24884	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39084	1.1
55.69236	1.2
56.73846	1.3
59.01383	8.2
59.86659	1.1
83.08328	1.2
96.95966	1.3
119.55402	1.3
121.10260	1.5
121.59643	1.4
132.59921	1.4
135.08167	1.6
158.27101	1.5
171.10291	5.6
176.60231	1.4
183.10329	5.2
183.13899	7.9
195.13940	6.0
218.25890	1.4
223.13408	5.9
235.17015	13.8
262.56073	1.5
275.20215	25.2
293.21268	100.0
305.17813	1.8
305.58273	1.4
391.24930	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92939	1.4
59.01385	14.5
64.95546	1.2
78.95918	6.3
85.11414	1.4
96.96935	1.7
107.91319	1.4
113.09699	2.2
120.51819	1.3
121.10291	9.7
129.91263	1.5
171.10265	16.1
179.34883	1.3
183.10243	7.6
183.13969	11.8
211.13441	2.0
235.17026	5.5
275.20172	37.0
293.21255	100.0
335.85779	1.5
391.25739	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49504	0.6
50.89014	0.7
58.05174	0.6
59.01385	1.2
60.00040	0.7
78.79456	0.7
78.95908	3.0
84.37131	0.6
90.96862	0.7
91.95110	0.8
129.46904	0.8
179.14432	1.1
195.13899	10.7
196.14816	1.2
219.46873	0.8
223.13426	10.0
231.21072	0.8
275.20230	6.2
293.21265	100.0
334.24783	0.8
391.26004	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15111	0.5
57.03440	0.7
59.01381	7.9
72.68044	0.6
73.76900	0.5
78.95915	0.7
79.95744	1.5
85.92603	0.6
91.15572	0.6
92.22534	0.9
98.83837	0.6
98.96673	0.6
109.06612	0.6
112.45346	0.6
113.09718	18.6
131.45120	0.6
139.11305	1.2
141.17841	0.6
152.99556	0.6
167.10783	3.8
173.52470	0.6
179.10805	2.9
195.13962	5.2
240.32700	0.6
240.97798	0.6
249.22224	3.3
255.23325	9.9
256.37851	0.6
261.22028	0.7
275.20172	0.8
275.32541	0.6
287.71176	0.6
293.21265	100.0
313.54837	0.7
361.24408	1.5
391.25879	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.60124	0.6
112.13433	0.7
117.31411	0.6
125.09726	4.5
141.12935	1.0
149.09644	1.0
152.99580	1.0
163.93367	0.6
170.68379	0.6
175.94232	0.6
185.11836	12.2
197.11850	3.2
233.80315	0.7
255.23317	9.7
275.20386	0.9
293.21271	100.0
303.71490	0.8
391.22266	1.2
406.06870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.3
69.76303	0.5
72.79424	0.7
78.95908	1.0
79.95735	36.7
80.96513	8.5
85.27805	0.6
95.95226	1.4
96.95998	12.1
109.58152	0.7
113.02449	3.0
152.99634	1.5
169.97783	0.6
255.23309	12.6
308.33496	0.8
361.17609	0.8
361.24231	39.7
391.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06596	0.6
58.02978	17.4
58.35242	0.7
60.08318	0.7
63.75959	0.8
70.02978	15.2
71.02513	1.1
87.05600	1.1
88.94611	0.7
95.02483	1.2
96.00909	18.0
113.03572	10.7
114.01958	29.0
131.04625	12.7
196.25909	0.8
222.79945	0.9
236.99438	1.0
276.23218	1.1
302.24960	3.0
336.09540	0.9
373.24994	29.3
391.26089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.71889	16.0
74.97977	14.7
92.22507	26.5
98.70620	17.7
277.21603	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.69903	5.0
68.41598	4.5
70.09888	5.0
73.14693	4.8
76.62635	5.6
80.90910	5.2
88.32238	5.9
187.71281	5.4
204.38271	5.2
231.36678	5.9
242.15686	5.9
355.30276	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2642
Annotation	Apo-10'-zeaxanthinal
Peak:m/z	Relative Intensity
51.33698	0.6
54.11560	0.6
56.42178	0.6
59.01371	1.5
61.27129	0.6
68.01356	0.6
77.89536	0.6
94.33804	0.7
116.75603	0.8
136.21524	0.8
143.50420	0.9
185.06122	1.3
186.06926	1.4
197.06065	0.9
198.06937	1.3
199.07645	5.1
201.09238	1.4
209.05966	3.1
210.06779	0.8
211.07684	1.1
212.08331	1.6
213.09259	2.9
221.09563	1.1
223.07695	4.2
224.08430	3.7
225.09186	7.8
227.10750	1.7
237.09219	5.3
238.10019	5.7
239.10884	6.8
240.11551	3.3
241.12335	20.9
250.09947	1.2
252.11586	12.4
253.12357	7.6
254.13106	11.7
256.14642	0.8
264.11636	0.9
265.12305	5.0
266.13104	1.7
267.13916	20.5
268.14694	3.2
269.15454	0.9
279.13943	13.0
280.14624	1.7
289.16196	0.8
293.15460	1.1
307.16888	6.8
309.18753	1.5
321.18619	3.7
322.19437	24.6
335.20404	1.1
348.21188	0.9
361.22034	1.2
363.23270	1.5
376.24155	5.5
391.26453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33698	0.6
54.11560	0.6
56.42178	0.6
59.01371	1.5
61.27129	0.6
68.01356	0.6
77.89536	0.6
94.33804	0.7
116.75603	0.8
136.21524	0.8
143.50420	0.9
185.06122	1.3
186.06926	1.4
197.06065	0.9
198.06937	1.3
199.07645	5.1
201.09238	1.4
209.05966	3.1
210.06779	0.8
211.07684	1.1
212.08331	1.6
213.09259	2.9
221.09563	1.1
223.07695	4.2
224.08430	3.7
225.09186	7.8
227.10750	1.7
237.09219	5.3
238.10019	5.7
239.10884	6.8
240.11551	3.3
241.12335	20.9
250.09947	1.2
252.11586	12.4
253.12357	7.6
254.13106	11.7
256.14642	0.8
264.11636	0.9
265.12305	5.0
266.13104	1.7
267.13916	20.5
268.14694	3.2
269.15454	0.9
279.13943	13.0
280.14624	1.7
289.16196	0.8
293.15460	1.1
307.16888	6.8
309.18753	1.5
321.18619	3.7
322.19437	24.6
335.20404	1.1
348.21188	0.9
361.22034	1.2
363.23270	1.5
376.24155	5.5
391.26453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2636
Annotation	Apo-10'-zeaxanthinal
Peak:m/z	Relative Intensity
55.59826	3.6
59.01381	45.2
62.27160	3.1
83.93411	3.6
85.46660	3.1
90.65517	4.8
96.96008	7.3
141.07455	3.5
147.63145	3.8
209.05898	4.1
223.07680	5.8
225.09183	14.8
237.09258	6.4
238.09944	4.7
239.10707	8.6
252.11539	18.9
254.13150	25.5
255.23381	14.7
265.12265	5.1
267.13864	19.5
277.21454	4.3
279.13882	7.5
322.19458	32.1
391.26447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23916	0.7
51.57143	0.8
56.82628	1.0
59.01381	4.7
85.06599	9.7
113.06075	16.8
117.07385	1.4
131.07133	76.2
133.79492	1.1
160.77582	1.3
277.21753	100.0
278.70007	1.1
281.24899	4.6
391.28592	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46944	0.3
59.01372	0.6
61.48194	0.3
63.91132	0.3
111.02702	0.3
155.65497	0.3
255.23311	100.0
333.88788	0.3
342.07642	0.3
391.28534	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74368	0.4
53.98013	0.4
59.01397	0.4
60.26687	0.4
67.65134	0.4
71.01379	2.3
78.95907	0.9
88.04032	20.0
88.11602	0.4
100.04044	0.8
100.68991	0.4
101.02435	2.7
110.98524	1.1
113.03582	2.2
114.01962	3.0
115.00372	7.7
115.04015	1.1
122.06524	0.5
124.61180	0.5
128.03510	0.9
130.05061	0.8
131.04630	7.7
132.03024	100.0
132.05003	3.4
163.50645	0.5
186.04041	0.7
191.05646	0.5
192.05989	0.7
193.05992	0.5
203.06644	0.8
204.05142	9.1
204.06931	1.0
392.11981	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01718	12.4
61.98838	26.2
62.33324	1.3
71.01376	5.8
73.02962	1.4
89.02435	1.4
101.02430	5.2
102.02751	1.7
113.02441	1.5
161.04546	2.2
209.68958	1.3
253.21719	1.3
331.17532	2.0
332.17935	11.8
335.04050	1.7
342.03015	1.3
392.19888	5.5
406.30942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31172	0.4
59.01385	100.0
60.01719	13.4
60.02004	0.7
62.13123	0.4
71.01386	4.9
72.01717	0.6
82.38892	0.4
83.01373	0.5
85.02950	0.6
89.02438	8.2
90.02783	0.8
101.02467	2.6
102.02781	0.8
106.85752	0.4
110.65168	0.4
113.02499	1.8
119.03536	2.6
120.03782	0.5
161.04633	0.7
179.05594	2.9
180.05989	0.9
216.93742	0.5
306.48669	0.4
331.17786	0.7
332.18042	6.9
352.10742	0.4
392.20151	6.1
397.66544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16513	1.7
56.65590	2.3
59.01385	100.0
60.01718	13.6
64.18896	2.1
71.01376	12.9
71.10217	2.4
73.02939	2.8
85.02967	4.3
89.02437	3.9
101.02451	15.0
102.02753	3.1
113.02411	5.3
332.18057	23.3
392.20129	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.34447	0.8
65.85780	0.8
68.81694	1.1
79.95722	1.0
95.69662	1.0
95.78558	0.9
96.96004	11.1
126.02011	1.1
172.99077	1.2
193.13431	1.0
259.95026	1.0
339.79672	1.0
346.11920	1.1
392.21301	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
76.52206	1.4
79.32235	1.3
128.47050	1.3
182.15692	1.7
245.18901	1.7
252.88788	1.6
307.19263	2.7
346.90756	1.9
392.21085	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89138	0.6
59.01376	1.3
60.05672	0.7
61.98832	100.0
62.36646	0.7
63.97294	0.7
66.27283	0.7
78.57420	0.9
92.23139	0.9
96.96009	1.8
258.65192	0.9
392.21112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2448
Annotation	Paniculamine
Peak:m/z	Relative Intensity
58.02975	11.2
58.22647	0.9
59.01388	7.5
59.34466	0.9
64.40176	1.0
71.01378	11.6
71.17152	0.8
78.95893	2.2
81.95315	0.8
88.04029	64.1
96.99290	4.5
108.34806	1.0
114.01935	1.7
115.00364	19.2
130.40732	0.8
131.79375	0.9
132.03046	4.6
151.84087	0.9
277.21735	15.7
348.25507	8.6
388.29691	1.2
392.24445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42484	4.8
59.01382	100.0
71.01387	6.3
78.15688	5.8
86.54701	6.6
102.67474	6.6
103.14173	6.4
107.83199	6.8
146.07173	7.0
185.96786	8.2
230.29356	7.5
231.70532	6.7
270.31119	7.4
280.65659	6.8
371.31171	6.6
392.25836	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42290	1.3
54.13995	1.2
59.01382	100.0
75.22114	1.2
80.95358	1.2
188.57777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42290	1.3
54.13995	1.2
59.01382	100.0
75.22114	1.2
80.95358	1.2
188.57777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93705	0.6
57.15699	0.7
59.01386	0.8
59.99675	0.6
77.25086	0.7
80.70422	0.8
108.78060	0.9
114.09225	1.2
116.07170	100.0
134.88618	0.8
163.83481	0.9
251.47543	0.8
294.21381	1.4
351.94443	0.9
356.20935	4.0
392.28207	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.18992	0.8
89.14197	0.9
98.65658	0.8
99.92613	1.0
116.92793	1.0
132.65028	0.9
180.72548	0.8
198.12228	1.3
219.10022	1.2
310.20996	1.4
392.21295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.35227	0.8
78.95996	0.7
84.58569	0.7
111.02513	0.6
137.41318	0.7
152.99493	1.1
178.13339	0.7
257.77798	0.8
331.24643	0.7
392.24683	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55089	0.4
60.92311	0.4
67.18398	0.5
83.27033	0.5
83.61507	0.5
87.21140	0.5
97.30713	0.5
128.10789	2.1
130.08734	100.0
144.91679	0.6
302.73126	0.6
348.32819	0.6
392.31784	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65014	1.0
59.01374	30.7
64.87656	1.1
71.01379	15.7
78.95910	21.1
81.49567	1.0
85.02917	1.3
89.02436	34.6
89.54956	1.2
92.22533	1.4
96.95999	7.6
96.96950	54.8
97.02953	2.4
101.02441	18.4
101.30611	1.0
105.40089	1.1
107.97789	1.0
110.98512	5.6
111.90913	1.0
113.02431	10.2
115.03996	25.5
119.03492	12.2
128.03539	2.4
133.05064	2.8
143.03458	1.3
179.05586	2.1
182.18344	1.2
188.10197	1.1
213.08810	1.8
231.09869	2.8
295.10358	100.0
393.08032	1.6
393.15289	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.6
63.85192	0.9
65.95726	0.9
68.99809	0.9
71.01370	9.3
71.03349	1.0
72.99290	1.0
73.50754	1.0
76.55004	0.9
78.69231	0.9
81.03455	7.2
83.05023	7.3
85.02953	1.8
88.82054	0.9
89.02428	11.7
93.03432	4.6
97.02917	2.3
101.02450	12.7
109.02940	2.2
111.04510	52.1
113.02449	1.6
115.03996	20.3
119.03468	4.2
127.04008	100.0
128.96635	1.1
133.05051	1.2
134.03723	14.9
137.02443	9.6
149.06081	2.4
152.81836	1.2
155.03500	64.2
160.19124	1.0
165.05548	1.3
179.40353	1.1
192.75822	1.0
193.05063	7.9
199.02504	59.2
214.00293	1.0
217.03656	1.3
272.09201	1.1
273.95264	1.3
275.27896	1.2
295.10406	1.4
321.64157	1.1
333.13092	1.3
393.08868	1.8
393.14035	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42819	1.0
59.01382	2.3
77.22589	1.0
81.03455	5.6
83.05029	5.8
91.01790	1.1
92.24166	1.3
92.87805	1.1
93.03454	1.8
97.04485	1.1
109.02914	1.4
111.04514	53.5
127.04007	100.0
134.03708	5.7
137.02444	6.9
155.03500	67.0
155.10124	1.3
159.01035	1.1
160.49393	1.2
188.08952	1.2
193.05136	2.6
196.71159	1.2
199.02486	64.9
211.98370	1.2
393.08542	1.7
393.38293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
81.03452	5.7
83.05039	5.9
91.06057	0.9
93.03450	3.5
94.76628	0.9
109.02953	1.8
111.04516	57.4
117.03491	0.9
117.35397	0.8
127.04012	100.0
134.03725	7.0
137.02466	8.1
138.85986	1.1
155.03513	63.9
193.05040	3.8
199.02504	50.3
249.75551	1.0
252.09999	1.1
275.02646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30140	0.5
58.69299	0.5
59.01382	4.1
59.60129	0.6
59.81071	0.6
60.30026	0.6
70.85929	0.6
81.03461	5.7
83.05019	4.8
83.87236	0.7
93.03448	4.1
109.02940	3.9
111.04510	55.2
127.04005	100.0
128.10652	0.6
134.03738	6.3
137.02460	9.1
144.09691	0.7
149.06108	0.9
155.03503	54.6
168.49277	0.6
184.26254	0.7
184.47612	0.7
193.05060	3.7
199.02493	47.8
232.61346	0.7
283.54968	0.8
317.92807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
67.59058	0.5
68.28409	0.4
68.44333	0.5
69.39286	0.6
79.42906	0.5
81.03454	6.7
83.05037	5.2
93.03434	5.8
100.05044	0.4
103.00756	0.4
104.84129	0.5
109.02962	4.2
111.04515	59.2
114.71465	0.5
126.52276	0.5
127.04011	100.0
134.03755	5.7
137.02460	9.1
144.11536	0.5
149.06096	0.7
155.03506	61.9
193.05038	4.0
199.02499	52.2
236.16354	0.5
318.12793	0.6
332.88391	0.5
393.08557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57894	0.9
59.01385	4.2
63.80672	0.9
69.81207	1.0
81.03458	9.7
83.05018	4.8
93.03466	2.2
109.02967	3.9
111.03769	2.0
111.04514	52.5
116.92857	1.3
117.03404	1.1
127.04007	100.0
134.03737	13.5
137.02460	7.6
142.41299	1.3
145.02983	2.1
149.06049	1.1
155.03503	66.5
160.27673	1.0
160.66963	1.0
193.05128	11.6
198.91081	1.1
199.02499	57.5
210.97028	1.8
217.03563	1.3
228.98183	1.6
231.46429	1.0
333.27499	1.0
375.01865	2.1
393.19107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38159	1.7
53.46102	1.6
56.83714	1.4
57.03442	1.8
59.01383	45.0
59.10760	1.7
59.85205	1.4
61.95820	1.5
71.01376	55.0
72.99297	13.8
73.02940	2.9
78.31101	1.6
85.02950	15.1
87.00868	3.2
87.04504	8.5
89.02449	26.8
97.02959	15.7
101.02439	22.4
102.49310	1.7
113.02416	12.2
115.00359	49.7
115.04002	100.0
119.03502	13.6
126.01794	1.9
129.01913	2.1
129.05602	2.8
133.01427	62.5
133.05052	37.6
151.03992	7.3
161.01566	1.6
179.05621	4.4
231.05208	3.4
255.05116	3.4
295.10318	24.5
303.07211	2.4
311.23441	1.9
330.07941	1.8
333.08359	27.8
393.10184	41.0
393.14108	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06189	1.0
55.50579	1.0
58.56117	1.0
59.01385	12.8
63.41447	0.9
66.58092	0.9
73.39426	0.9
78.95895	1.2
80.96529	2.3
84.93887	2.3
92.23082	1.2
96.96003	4.5
99.92577	50.9
100.93364	16.6
113.09705	4.4
115.92077	26.7
116.92854	100.0
131.12454	1.1
139.11293	7.3
152.99590	2.5
184.10822	1.0
263.20102	5.2
275.75891	1.1
345.11584	1.3
363.22098	1.5
375.12436	4.3
393.13846	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31067	1.0
62.28488	1.1
73.95313	1.0
81.50208	1.1
84.93871	6.4
99.92583	61.9
100.93365	33.8
112.96597	1.0
115.92072	29.8
116.92853	100.0
152.99590	1.3
263.59409	1.2
264.04752	1.7
265.05716	1.4
267.03308	2.8
282.05746	2.3
360.09784	1.2
371.09604	1.6
375.12723	31.6
393.13809	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93503	1.1
66.66230	1.3
69.40932	1.4
73.05924	1.2
74.57729	1.3
84.93857	5.6
86.17843	1.4
99.92583	96.8
100.93361	49.5
115.92072	46.2
116.92860	100.0
262.06808	2.1
278.06198	1.8
351.70810	1.5
371.09698	1.9
375.12732	56.8
393.13794	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	1.4
59.01394	3.2
70.02966	4.1
70.52406	0.8
84.93856	3.9
96.00904	4.2
96.95994	0.9
99.92584	44.1
99.93247	1.6
100.93356	15.7
106.98084	1.7
114.01983	6.5
115.92066	23.3
116.92854	87.1
127.03977	1.8
131.04637	3.2
225.35098	0.9
263.20218	3.8
293.21252	1.4
295.22760	12.6
345.11642	1.5
375.12726	10.2
375.26648	5.7
389.10864	1.8
393.13815	100.0
393.27463	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52668	0.8
77.59071	1.0
79.21671	1.0
80.96519	4.2
84.93846	2.1
96.96023	1.6
99.92577	36.5
100.07233	1.1
100.93359	16.6
108.60439	1.2
113.09731	2.1
115.92063	19.2
116.92857	74.8
118.72711	1.1
139.11331	2.3
155.05624	1.1
180.69113	1.2
245.18916	1.1
263.20218	1.6
295.22604	1.5
375.12766	5.5
393.13815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.6
59.01382	69.4
63.25857	0.9
63.57244	0.8
68.95197	0.8
71.01023	1.2
71.01379	27.8
72.99285	3.7
73.02933	5.0
83.01376	1.9
85.02947	6.4
85.70843	0.8
89.02437	29.1
93.75768	0.8
97.02952	7.7
101.02440	25.2
103.03956	1.2
113.02438	9.2
113.06050	1.8
115.00326	1.1
115.03998	51.6
117.51435	0.8
119.03480	13.3
131.03430	2.1
133.01404	4.5
143.03508	1.1
149.04526	1.1
157.05090	1.0
163.06076	3.7
179.05638	1.6
195.41301	1.0
205.07184	1.6
295.10394	10.8
393.13925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76374	1.2
58.00577	1.6
58.89771	1.4
59.01382	93.7
59.53484	1.3
64.76378	1.3
71.01373	35.7
71.04995	1.5
72.99306	2.1
73.02930	7.0
78.81941	1.4
80.60986	1.5
83.01360	2.7
85.02937	8.4
87.00861	1.6
89.02440	36.3
97.02924	7.5
101.02436	29.0
103.03989	2.3
110.47152	1.6
113.02444	10.6
115.00327	2.8
115.03987	57.0
119.03500	17.0
129.37007	1.6
131.03401	1.9
133.01421	3.4
143.03534	2.9
155.72081	1.5
161.04453	1.5
163.06114	8.4
179.05609	2.9
205.07155	6.9
295.10300	13.0
372.31219	1.7
393.14053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32494	0.9
57.40471	0.9
58.00586	1.5
59.01380	70.7
71.01378	27.5
72.99293	1.0
73.02939	1.9
75.62569	1.0
83.01398	1.2
85.02949	4.7
87.00871	1.0
88.04050	1.2
89.02436	23.4
97.02950	8.5
101.02431	22.0
111.00869	12.7
113.02413	8.0
113.06043	1.4
115.03229	2.1
115.03999	50.2
119.03479	13.0
132.02985	6.5
133.03355	1.8
133.05069	1.0
161.04593	1.4
166.64980	1.2
179.05545	1.7
235.08229	7.1
293.78394	1.1
295.10309	11.7
393.13947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77948	1.4
59.01380	94.6
71.01375	42.2
75.22739	1.5
78.88881	1.7
83.01383	2.1
85.02941	11.5
87.00846	2.3
89.02433	48.9
92.22556	2.1
95.30386	1.7
97.02931	16.4
101.02448	32.2
113.02441	14.0
113.06023	2.2
115.00371	2.9
115.03992	100.0
116.10779	2.3
119.03475	22.7
132.02998	3.2
133.01419	3.4
145.33263	1.9
151.03957	3.1
161.04568	3.0
165.05479	2.1
179.05617	9.3
187.04242	1.7
295.10327	46.0
325.33264	2.0
345.13495	6.8
359.25650	1.8
375.13239	2.1
393.14151	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24542	0.6
59.01385	54.6
70.72483	0.7
71.01379	16.4
72.50264	0.8
73.02967	1.0
75.00868	1.1
81.03430	1.2
83.01416	0.9
83.05013	0.9
85.02948	5.0
89.02445	20.3
97.02943	6.2
101.02431	14.5
103.58243	0.9
111.04511	9.4
113.02435	5.2
113.06057	1.4
115.03223	1.8
115.03999	39.6
119.03484	6.5
127.04018	20.3
134.03688	1.5
135.02980	1.5
136.89877	0.8
137.02380	0.9
145.06326	0.9
147.21205	0.9
148.13110	0.8
155.03482	14.2
187.07587	0.8
193.04996	1.7
199.02502	9.4
233.08127	1.7
295.10245	4.2
323.99323	0.9
393.14072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12285	1.2
50.64655	1.2
56.82993	1.3
57.57706	1.4
59.01382	100.0
65.04438	1.3
71.01019	1.5
71.01379	35.4
71.04980	1.4
71.98342	1.4
73.02945	2.8
82.60870	1.5
83.01373	3.5
84.56918	1.4
85.02963	11.2
87.00889	1.5
89.02438	25.5
97.02912	10.0
99.00874	1.8
99.65562	1.4
101.02438	31.9
111.00906	15.1
113.02428	15.5
115.00373	1.7
115.03240	2.3
115.03999	53.4
119.03497	11.9
132.02975	9.2
133.03384	1.8
133.04996	8.0
137.22968	1.6
141.06175	1.4
144.63467	1.4
151.03954	2.4
161.04538	6.7
180.39142	1.9
213.11255	2.4
231.12354	2.4
235.08243	16.2
295.10413	15.7
393.13766	92.8
393.17804	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83293	1.1
59.01369	1.4
75.26090	1.3
77.15516	1.2
78.95907	2.8
82.02991	2.6
84.04534	2.6
96.96962	8.5
97.86325	1.3
101.02435	5.3
102.05593	32.3
109.07717	2.0
109.23452	1.4
110.98528	4.9
123.63076	1.3
126.17911	1.4
127.05149	24.2
128.03534	61.1
137.82085	1.5
140.93990	1.2
150.64278	1.4
169.09824	8.2
187.10762	1.4
195.07814	9.6
200.05685	2.5
213.08815	31.0
229.11935	2.2
231.09877	100.0
271.12897	1.4
273.10803	2.1
295.10297	2.5
303.12030	24.2
333.13113	1.8
334.60593	1.3
393.10471	3.0
393.15140	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	71.0
71.01379	34.5
73.02935	13.0
75.57705	2.0
76.08869	2.5
85.02921	8.6
87.00864	2.5
89.02440	50.0
91.34097	2.1
96.07697	2.3
99.00876	51.7
101.02413	20.3
113.02436	27.9
119.03495	11.2
127.03965	4.4
131.03506	13.4
132.74452	2.4
149.04575	15.2
155.03445	3.3
161.04549	3.9
171.10358	2.9
188.63165	2.2
191.05629	13.5
233.06639	2.6
367.42584	2.8
393.17639	100.0
393.22592	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46336	1.6
59.01101	3.8
59.01382	75.2
67.45177	1.7
69.64524	2.0
71.01379	37.9
73.02943	14.6
83.01438	1.7
85.02942	9.1
89.02443	60.5
92.23087	2.4
95.01427	2.9
99.00874	63.9
101.02443	28.6
113.02451	33.9
119.03490	14.2
131.03491	7.8
149.04530	13.7
161.04652	7.2
179.05634	2.9
179.54440	1.9
191.05646	15.9
197.05240	2.3
216.37663	2.6
233.06589	3.4
233.11241	2.6
308.72784	2.7
393.17752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	91.4
60.28285	1.3
60.97355	1.3
71.01377	65.8
73.02937	10.8
74.53807	1.8
75.08335	1.3
83.01379	2.0
85.02943	10.2
87.00900	1.8
89.02442	100.0
95.01340	1.6
101.02438	39.9
105.79507	1.5
111.89333	1.6
113.02452	23.9
119.03491	21.6
125.02474	2.3
129.41319	1.6
131.03474	17.9
143.03552	2.4
149.04529	31.4
161.04561	2.6
168.69019	1.5
179.05626	18.6
191.05580	6.3
219.93646	1.8
261.13507	8.2
393.17667	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85221	1.7
58.00602	1.8
59.01101	4.2
59.01383	100.0
65.04160	1.8
69.76848	2.1
71.01380	41.2
72.99287	11.6
73.02940	28.0
85.02953	8.6
87.00851	2.9
89.02434	52.9
101.02438	56.8
103.03999	17.9
113.02440	11.6
115.04021	17.8
119.03481	17.5
125.02347	2.4
131.03496	14.9
143.03487	13.7
145.05197	2.6
163.06123	42.6
164.59216	2.6
175.80330	2.4
179.05676	9.9
205.07190	26.7
265.09259	4.4
393.08578	16.4
393.13336	4.9
393.15073	5.0
393.18176	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
76.65755	0.7
78.95461	1.7
78.95902	39.6
82.36967	0.8
96.96961	4.6
127.36194	0.8
139.11227	1.0
150.98027	1.3
152.99588	100.0
162.51353	0.9
171.00682	1.3
197.11844	1.7
199.13744	0.9
211.13364	3.4
219.10017	1.1
233.11617	3.8
239.20319	1.0
257.89957	0.8
293.21225	1.8
311.22302	10.0
333.20630	4.6
386.62167	0.8
393.20422	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
63.98396	1.1
70.91937	0.8
78.95901	25.5
83.34026	0.9
90.39477	1.1
93.14616	1.0
95.56013	0.9
96.96976	2.0
137.50772	1.2
139.11238	1.3
144.80394	1.0
150.21480	1.0
152.99585	100.0
171.00630	2.4
171.10243	4.6
175.08484	1.3
193.08479	4.0
213.75165	1.1
239.20151	1.9
311.22281	4.6
333.20383	1.2
393.20343	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36148	0.4
59.01376	0.5
65.82832	0.3
74.61411	0.4
78.95902	35.6
95.93845	0.4
96.96011	0.8
96.96956	5.2
111.50788	0.4
113.66519	0.4
131.83359	0.4
146.73578	0.3
150.98041	0.8
152.99585	100.0
171.00621	3.1
233.11563	0.7
239.20180	2.9
282.75098	0.4
311.22537	0.8
393.20456	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67639	0.4
59.01393	2.0
60.01685	0.5
66.19420	0.5
78.95902	25.7
93.37305	0.5
96.96946	4.5
99.22514	0.5
107.21169	0.5
127.84275	0.6
150.98001	2.1
152.99588	100.0
171.00616	1.3
239.20184	2.7
293.21320	0.7
311.22409	2.8
313.27472	0.7
333.20734	0.8
393.20349	17.9
404.72067	0.6
406.36993	0.6
416.00916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
59.39066	0.6
63.91032	0.7
67.36895	0.8
78.95903	41.7
96.96904	3.7
102.15834	0.6
108.85702	0.7
114.17461	0.6
121.68186	0.7
139.11253	1.5
152.99583	100.0
171.00647	1.6
171.10295	5.9
207.09935	3.9
211.13344	1.1
233.11429	1.0
239.20082	1.6
252.12376	0.6
257.77951	0.8
293.21091	2.8
311.22360	9.8
315.19354	1.0
333.20468	6.7
354.67899	0.8
393.20407	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2051
Annotation	Kazinol A
Peak:m/z	Relative Intensity
54.01659	0.5
59.01381	2.8
69.80508	0.5
78.95896	28.5
92.22450	0.6
96.95995	2.5
96.96953	4.0
125.86623	0.6
139.11261	0.8
150.97974	1.3
152.99583	100.0
153.92784	0.7
159.07039	0.6
171.00645	2.6
171.10208	5.2
185.11778	0.7
193.08423	2.5
197.11948	0.7
211.13409	3.2
233.11555	6.2
239.20305	2.1
251.11298	0.7
293.12659	0.6
293.21249	2.1
311.22311	6.5
318.03857	0.6
333.20615	3.2
390.16904	0.7
393.20297	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2054
Annotation	Kazinol A
Peak:m/z	Relative Intensity
51.96579	0.6
54.54600	0.6
59.01376	1.0
59.41577	0.6
63.81220	0.6
68.74648	0.7
78.95905	41.4
78.96368	1.6
80.25571	0.8
96.95994	0.7
96.96966	4.4
99.08841	0.7
100.29732	0.7
105.39220	0.8
139.11295	1.5
150.98001	1.1
152.99588	100.0
154.44254	0.8
171.00621	3.1
171.10257	3.5
207.10045	1.9
239.20235	1.4
249.18523	1.0
293.17703	1.0
293.21207	0.8
311.16925	1.1
311.22409	4.0
313.27350	1.0
333.20584	3.3
349.11133	0.9
393.20477	36.7
393.26419	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2054
Annotation	Kazinol A
Peak:m/z	Relative Intensity
51.09943	0.7
59.01371	1.6
78.95901	38.7
82.53347	0.8
96.95970	1.3
96.96974	3.5
152.99586	100.0
153.14830	0.9
168.20357	0.8
171.00671	1.0
193.46590	0.9
212.10568	0.9
223.99342	0.8
239.20135	2.1
311.22269	1.8
325.77179	0.9
333.20599	1.3
393.20413	32.5
393.26794	1.6
418.68567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28141	0.7
53.57034	0.6
57.35350	0.6
59.01384	100.0
60.31583	0.6
79.95752	1.1
84.34044	0.6
96.96001	0.7
101.76601	0.7
119.02841	0.8
142.93146	0.8
222.19839	0.6
230.15118	0.7
235.50018	0.7
299.37064	0.8
393.21124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
62.58935	0.8
72.71282	0.8
78.95451	2.0
78.95901	36.3
96.96005	1.5
96.96938	4.1
113.09686	1.3
131.87381	0.9
139.11273	7.2
150.98016	1.2
152.99579	100.0
157.65277	1.0
165.12828	1.1
171.00629	4.1
171.10274	14.3
183.10342	1.5
185.11803	1.8
186.09735	0.9
193.08583	1.2
197.11838	1.8
199.13556	1.0
201.11250	1.7
207.10011	5.5
211.13431	4.6
215.10681	1.1
219.10027	2.1
228.71812	0.9
233.11566	5.5
234.95367	1.0
239.20270	2.2
248.62457	1.0
254.87157	0.8
265.86124	1.1
293.21155	4.2
305.24863	6.1
311.22327	31.8
315.19470	6.9
333.20535	20.2
349.23874	1.2
377.19504	0.9
393.20337	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43890	2.0
59.01372	20.9
78.95892	33.8
96.96011	4.5
96.96936	5.5
139.11282	30.5
152.99574	100.0
153.00740	4.2
166.50423	3.1
171.00574	3.4
171.10265	50.0
183.10187	3.7
185.11797	11.8
193.08455	35.2
197.11684	3.1
201.11432	4.7
204.34894	2.4
207.10112	4.4
211.13383	5.9
219.09952	2.9
233.11565	11.5
267.11050	3.2
293.21152	14.4
311.22324	57.1
315.19449	5.9
333.20258	13.2
393.22702	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31123	2.4
58.45909	2.4
59.01377	24.7
67.82189	2.9
71.01372	5.8
78.95921	4.3
88.04024	3.7
99.00608	3.0
105.02357	3.0
121.06596	5.2
138.87352	3.1
152.99583	3.3
153.01686	3.0
165.12868	6.3
181.12474	4.3
194.02664	3.1
202.66548	3.1
215.10384	3.6
221.11639	3.3
223.13177	20.2
229.12085	6.7
247.13139	5.1
247.20607	3.7
250.49281	3.3
258.12357	3.3
259.13062	3.9
277.21771	36.7
293.21271	47.4
295.22809	16.6
297.18387	19.9
299.19962	100.0
303.72845	3.0
314.91998	3.1
315.13788	3.2
315.19449	93.5
328.91171	2.8
331.19006	56.3
333.20367	5.3
377.22177	11.0
393.21878	7.1
393.26801	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2287
Annotation	Cytosporic acid
Peak:m/z	Relative Intensity
59.01372	2.9
61.98831	14.7
71.01385	2.9
71.05011	8.6
71.61578	2.2
73.02944	2.8
83.05038	3.0
96.96014	3.4
97.06618	5.0
100.96635	2.2
105.45348	2.1
111.08148	8.9
121.06583	2.2
121.10266	2.5
127.03986	9.8
166.09921	2.7
171.10304	19.4
177.12881	15.1
195.34961	2.3
237.14954	28.8
257.13846	3.6
275.20239	4.2
277.18027	20.8
281.13986	8.8
293.21384	3.7
331.22775	11.7
349.24014	18.4
374.68558	2.4
375.21771	9.1
393.23059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2286
Annotation	Cytosporic acid
Peak:m/z	Relative Intensity
53.31578	2.0
54.97515	2.1
55.43698	1.9
59.01403	2.7
61.10011	2.4
68.76352	2.5
71.01362	5.0
71.05014	4.6
76.27955	2.2
83.05034	3.8
85.07452	2.3
96.96012	6.4
135.08174	4.5
137.09732	11.1
153.09213	2.3
155.03444	3.2
165.12799	3.6
169.52348	2.8
183.13904	14.2
211.13348	11.5
251.16522	3.9
251.41054	2.7
273.00229	3.0
275.20343	3.4
287.23877	9.2
291.19656	13.8
293.21204	4.7
307.17734	20.2
314.70532	3.0
331.22827	98.6
333.15659	4.8
349.24142	24.2
375.21912	20.5
393.23108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21519	1.1
55.01878	1.9
73.02930	10.1
79.12286	1.1
85.84530	1.2
99.00871	93.8
114.51633	1.4
117.01929	19.9
195.13937	8.9
223.13362	6.5
275.20145	6.4
293.21262	100.0
314.60919	1.4
393.22406	12.8
393.27194	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55595	1.4
50.94270	1.3
53.28444	1.1
55.01880	2.7
57.36543	1.1
59.01381	2.1
59.78001	1.3
60.32140	1.2
73.02940	55.5
73.03355	2.1
74.95534	1.3
81.66677	1.5
99.00876	73.2
99.92568	3.6
101.92448	2.8
111.04492	6.0
116.92844	7.0
117.01934	100.0
127.03986	7.0
142.57143	1.8
155.03506	3.3
183.13855	3.2
199.02573	3.7
235.17049	12.8
251.20178	31.1
275.20163	17.4
277.18250	3.7
277.21521	2.4
293.21252	51.3
295.19196	59.8
295.22571	6.9
298.81424	1.6
319.26431	10.4
342.62271	1.6
349.27429	5.7
393.13022	8.0
393.22025	20.4
393.27396	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2288
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
59.01385	100.0
61.98834	11.4
96.95988	6.0
113.43002	0.7
118.28038	0.8
126.24993	0.9
127.03982	1.1
333.20755	8.2
361.11713	0.9
393.19049	4.7
393.22891	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2288
Annotation	15-Epileopersin B
Peak:m/z	Relative Intensity
55.50088	1.0
56.69762	0.9
59.01383	100.0
61.98830	15.4
75.12473	1.0
96.95992	6.6
99.15465	1.1
101.71460	1.1
111.04515	2.5
113.32558	0.9
125.61842	1.1
127.03979	6.3
155.03523	2.3
199.02570	1.4
217.29988	1.0
236.23148	1.1
393.19141	5.8
393.22925	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66856	0.8
59.88632	0.7
71.01378	75.2
75.80872	0.9
78.52164	1.0
81.57384	0.8
90.59943	1.0
97.02932	1.2
99.07125	1.2
115.00368	17.9
115.04007	6.0
127.51991	1.0
127.88884	1.0
183.13919	31.5
216.72426	1.2
277.21744	100.0
295.22781	40.7
303.49301	0.9
393.22531	1.9
393.26913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.03007	0.3
64.36786	0.3
64.97025	0.7
79.95731	18.7
80.96523	1.5
93.35207	0.4
136.99139	100.0
144.88210	0.5
186.79234	0.4
255.23282	1.0
277.21716	5.7
393.22467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85291	1.3
53.00697	1.3
60.05665	1.5
60.47926	1.5
61.98518	3.6
61.98831	100.0
63.46912	1.5
91.24151	1.7
112.12699	1.6
116.08980	1.6
135.04955	1.8
252.11696	1.8
294.57297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18542	0.8
61.98831	100.0
67.22459	0.9
69.79778	0.8
86.90185	1.0
96.96011	12.2
128.26994	0.8
154.08153	1.0
184.89651	0.8
303.75201	1.0
314.48224	1.1
338.73196	0.9
393.19223	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96638	1.0
59.01389	2.0
61.98833	100.0
78.95917	1.8
92.23064	1.8
96.96008	2.5
112.13598	1.1
113.38501	1.2
131.52554	1.2
152.88588	1.2
178.66055	1.2
393.19632	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98835	100.0
69.22416	0.6
72.38285	0.6
75.35368	0.6
96.96008	21.1
110.42640	0.7
111.10576	0.8
131.74744	0.8
173.92320	0.8
313.23959	3.5
328.33908	0.9
343.67200	0.9
363.03125	0.8
393.19397	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74500	0.6
59.01403	0.7
69.42288	0.7
80.62994	0.7
81.58804	0.8
82.54085	0.6
88.61895	0.7
98.49828	0.8
101.08003	0.7
101.26169	0.6
107.19533	0.8
115.03967	1.1
133.05040	3.0
135.84596	0.8
246.18344	0.8
257.81635	0.9
277.21738	100.0
310.28680	0.9
393.26511	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69576	0.8
58.02974	18.5
70.02976	17.3
71.02493	2.3
87.05622	4.3
89.66789	1.0
95.02465	1.0
96.00907	22.2
99.92567	1.2
103.20292	1.0
113.03579	10.1
114.01955	30.1
118.59929	1.0
131.04625	21.1
163.75107	1.0
208.13113	1.1
278.22177	1.5
278.24884	9.2
304.26508	4.1
355.71878	1.2
375.26578	26.4
393.27628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41595	75.8
73.74981	64.5
80.64576	73.6
109.84727	100.0
122.98978	82.7
127.01115	84.3
134.61160	81.3
191.53685	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28136	70.8
58.47340	65.5
63.06710	69.0
70.81207	87.3
79.18040	74.5
96.49722	78.0
116.99942	88.2
151.81781	89.5
289.74857	89.6
389.10507	83.2
412.44897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2804
Annotation	Sargaol
Peak:m/z	Relative Intensity
57.44587	0.7
58.33975	0.7
62.55929	0.9
71.05031	1.0
87.69164	0.9
92.23125	1.5
104.07882	0.9
185.06056	4.8
186.06856	1.7
187.07632	4.9
198.06879	1.1
199.07628	3.9
201.09213	3.9
203.10770	1.4
211.11234	1.6
212.08434	1.7
213.09175	1.7
227.10800	7.5
231.90691	1.2
239.10811	1.3
239.41063	1.0
240.11526	1.5
241.12332	9.9
254.13049	7.6
255.13951	18.3
256.14709	14.1
267.13953	5.1
269.15469	11.6
277.21924	1.9
281.15427	5.7
282.16281	1.5
309.18622	4.9
310.82666	1.2
324.20978	20.9
393.28027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96381	0.8
61.66417	0.9
63.03102	0.8
74.98544	0.9
78.95972	0.9
87.67191	1.2
106.48248	1.0
133.15936	1.3
135.04532	1.8
149.06081	6.6
156.60617	1.0
157.71184	0.9
159.04567	6.7
160.05276	2.3
172.05301	9.8
173.06084	10.1
185.06073	1.7
186.06905	7.3
187.07645	18.7
199.07655	12.5
200.08394	1.7
201.09241	8.3
202.10025	22.0
213.09215	11.8
227.10994	1.0
241.12469	1.2
255.13910	3.9
256.14713	17.7
270.16302	1.2
271.17160	7.8
324.21036	15.4
379.39569	1.2
393.28073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2805
Annotation	Sargaol
Peak:m/z	Relative Intensity
60.47101	0.7
83.34420	0.9
84.20542	0.9
85.34693	0.8
166.90741	0.7
201.09306	0.9
212.08377	1.7
215.10912	1.2
216.11304	0.9
216.72725	0.8
217.70741	0.8
220.87918	0.9
221.99774	0.9
225.09233	3.9
226.09828	1.1
227.10793	4.8
232.01547	1.0
238.09999	3.2
239.10713	4.0
240.11526	3.4
241.12358	4.3
253.12349	1.2
254.13193	10.5
255.13882	4.7
256.14728	1.5
267.13913	4.2
269.15472	5.3
281.15552	1.7
282.16324	1.4
295.17053	1.1
309.18665	5.7
323.20303	1.8
324.20953	11.4
335.20181	1.2
378.25726	12.7
393.28061	100.0
395.48752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60954	0.7
77.31660	0.7
80.03931	0.6
85.63301	0.7
111.76640	0.8
152.56554	0.8
182.98065	0.8
214.10020	1.2
224.08412	1.4
225.09195	3.7
226.10051	1.7
227.10806	4.3
229.72224	0.8
238.10017	1.2
239.10789	3.2
240.11635	1.4
241.12283	3.3
252.11523	0.9
253.12416	1.5
254.13150	14.9
255.13898	7.0
256.14673	4.4
261.24753	0.8
266.13080	0.9
267.13925	5.1
269.15445	7.9
281.15585	3.3
282.16251	1.7
309.18665	7.4
322.19345	0.8
323.20490	5.3
324.20935	17.2
335.20120	3.1
350.22668	1.4
353.05685	0.9
363.23285	1.3
378.25723	22.2
393.28049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2806
Annotation	Sargaol
Peak:m/z	Relative Intensity
52.80915	0.8
53.84830	0.7
54.15424	0.7
77.37269	0.8
79.05590	0.9
81.41753	0.8
83.52652	0.9
87.45939	0.9
98.43472	0.9
129.37375	0.9
130.08746	0.9
133.17288	0.9
185.06113	1.1
186.06937	1.8
199.07622	7.0
201.09229	5.9
203.10805	3.6
213.09193	2.2
215.10809	1.3
225.08980	1.3
226.09961	2.0
227.10785	20.2
239.10966	1.1
240.11510	6.0
241.12358	13.4
253.12221	1.2
254.13135	20.1
255.14001	4.4
256.14679	14.7
267.13889	7.6
269.15524	25.5
270.16321	1.4
281.15497	12.2
282.16290	1.5
295.17352	1.0
304.35153	1.0
309.18619	4.1
323.20026	1.2
324.21014	45.0
393.28024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07571	0.6
61.56417	0.7
69.33771	0.7
72.53596	0.7
89.38071	0.8
130.08699	0.9
130.75502	0.7
135.04492	3.9
149.06108	1.3
159.04482	6.3
172.05287	5.8
173.04651	1.2
173.06068	14.8
186.06880	23.5
187.07614	5.7
199.07643	6.9
200.08490	3.0
201.09225	26.8
202.10028	1.8
213.09235	12.0
222.10431	0.9
241.12332	1.6
254.13168	1.6
255.13982	7.4
256.14716	22.8
269.15457	1.9
270.16116	1.4
271.67966	0.9
273.96262	0.9
282.16327	1.5
309.18604	1.7
324.17242	1.7
324.20963	35.5
358.51025	0.9
370.96829	0.9
378.25650	1.0
393.28024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2805
Annotation	Sargaol
Peak:m/z	Relative Intensity
50.62367	0.5
65.52860	0.4
71.25900	0.4
79.05514	0.4
81.17847	0.4
195.06573	0.5
199.07631	0.6
201.09204	2.0
209.06221	0.7
211.07597	0.6
212.08525	3.2
215.10718	0.5
223.07475	0.6
224.08415	0.7
225.09309	3.5
226.10019	2.1
227.10762	3.9
238.09956	0.9
239.10779	4.6
240.11520	3.0
241.12321	4.4
252.11635	0.8
253.12366	2.4
254.13130	12.6
255.13933	5.6
256.14795	4.4
266.13220	0.8
267.13855	5.9
268.14801	0.6
269.15482	7.9
270.16348	0.6
271.17105	0.7
279.50555	0.5
281.15439	3.1
282.16290	2.0
295.17145	1.1
308.17859	0.6
309.18628	8.4
322.19540	1.0
323.20148	6.1
324.20975	16.5
335.20105	3.2
338.22528	1.0
350.22681	2.5
363.23334	1.8
377.24734	0.6
378.25684	21.7
389.44629	0.5
393.28046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20065	0.5
56.61025	0.6
57.76508	0.5
59.34950	0.6
60.59486	0.6
85.06576	6.9
97.10568	0.7
113.06071	11.2
115.35809	0.6
131.07130	53.1
138.10506	0.7
161.52879	0.7
279.23306	100.0
393.30188	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3017
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
71.01402	1.5
71.75404	0.7
78.95908	1.3
113.09717	3.5
113.95752	0.9
124.87393	0.9
129.38358	0.8
150.12199	0.9
162.94170	0.9
165.09262	3.7
171.10339	1.0
185.11763	1.7
199.16977	1.7
257.23825	1.2
277.21753	12.8
279.19885	1.3
285.24637	0.8
287.23947	0.9
291.40817	0.9
295.22830	13.7
315.87198	0.9
331.30005	1.9
357.27951	1.0
375.29086	100.0
393.30219	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3016
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
52.76154	0.7
53.48889	0.7
59.01363	1.4
65.19186	0.9
73.08702	0.9
96.95959	1.0
100.05215	1.1
113.09686	1.1
115.04025	1.2
115.07628	1.5
125.09715	4.5
127.11237	1.1
141.90834	1.1
149.26587	0.9
154.30434	1.0
171.10281	1.6
179.03976	1.5
185.11864	4.0
221.15366	1.3
221.19287	1.3
223.20656	4.8
237.11295	2.1
239.96912	1.0
249.22275	13.0
255.29988	1.0
270.99658	1.0
277.21771	9.7
295.22824	5.8
331.30112	9.8
357.27988	2.2
375.29077	100.0
386.72672	1.1
393.30197	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3016
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
57.03458	13.5
59.01387	2.6
73.06325	1.2
76.08801	1.4
78.22453	1.3
86.50967	1.6
92.83842	1.3
95.86364	1.3
113.09720	73.1
114.61424	1.6
139.11272	1.5
148.70937	1.6
235.20554	2.0
255.19780	10.3
277.21799	9.2
279.19684	100.0
295.22913	2.2
334.21661	1.6
375.29123	26.9
393.26108	4.7
393.30280	72.4
414.04648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22002	0.8
73.64427	0.7
78.95901	78.8
94.14743	1.0
96.96950	7.3
101.46381	0.8
140.01186	5.9
152.99583	21.9
171.00647	70.9
196.13374	6.5
202.50119	1.0
213.72243	1.0
214.04889	14.4
335.08191	0.9
394.16403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.8
60.01719	3.7
60.94889	0.7
61.01803	3.1
61.98833	100.0
67.73051	0.7
71.01378	1.4
85.02978	1.1
94.22595	0.8
270.17960	0.8
334.18677	5.0
394.21341	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74223	0.4
59.43232	0.3
61.67237	0.4
61.98832	1.9
78.76519	0.4
79.95731	20.5
80.96505	2.1
87.76183	0.4
92.86439	0.4
95.06245	0.4
96.96003	2.9
111.08131	3.2
141.12831	1.0
157.12308	3.0
172.09807	11.3
180.77663	0.4
193.08960	0.7
221.08539	100.0
236.05971	3.3
245.79204	0.4
254.16528	0.5
325.63904	0.5
333.43289	0.5
333.87054	0.5
394.18985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40553	1.0
55.56725	1.1
55.91506	1.2
61.98833	1.5
67.88028	1.2
79.95731	22.5
80.96526	2.6
94.76091	1.1
96.96006	23.6
125.09632	1.7
126.83897	1.2
143.10829	3.0
186.11327	10.8
203.40697	1.6
207.06973	100.0
250.07539	8.5
314.24033	2.2
394.19391	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72034	0.5
57.12881	0.4
61.98826	2.7
62.69364	0.5
63.25791	0.5
68.82124	0.6
79.95692	0.6
88.17654	0.7
90.45876	0.5
96.96006	90.4
99.80462	0.7
195.25200	0.6
292.88449	0.8
394.22742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	10.8
69.14511	0.6
72.00380	0.6
81.39865	0.5
83.25459	0.6
88.54653	0.6
96.96003	91.3
126.69637	0.6
148.49896	0.6
177.23123	0.6
394.22711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76780	0.5
59.01376	1.3
64.45600	0.6
65.44792	0.6
78.08227	0.6
78.95900	100.0
87.44429	0.7
96.96943	4.5
133.31557	0.7
271.34369	0.8
394.23651	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08558	2.9
54.44024	2.9
77.47588	3.7
84.67566	3.4
88.95125	3.8
114.87527	3.3
129.47365	3.4
194.60422	3.6
196.47447	3.8
247.56705	3.7
277.21774	27.3
278.22107	100.0
417.25061	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44931	0.8
58.02981	14.4
59.01368	1.3
67.74889	0.9
71.01373	10.4
88.04031	71.0
96.99311	2.2
105.22665	1.0
115.00366	19.6
125.59426	1.0
132.03044	4.8
221.50333	0.9
278.24887	10.3
279.23303	23.3
304.26685	1.0
332.26080	1.2
350.26953	6.7
394.26013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77824	12.6
61.98827	67.6
63.15801	11.8
74.02445	20.5
78.95885	19.7
80.21187	13.2
80.78095	12.7
81.78613	15.1
245.23779	15.8
312.22815	18.0
384.17349	17.5
394.27130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2964
Annotation	(7Z,10Z)-hexadecadienoylcarnitine
Peak:m/z	Relative Intensity
77.75304	0.7
96.39603	0.9
96.82423	0.7
101.56251	0.8
114.09233	1.7
116.07168	100.0
120.73089	0.9
122.50191	0.8
125.09689	1.0
130.15456	1.0
165.87918	0.9
166.34305	0.9
186.47565	0.9
219.11830	0.8
226.18184	1.1
240.19768	1.7
394.29675	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3328
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
52.77505	0.4
66.40310	0.4
76.98432	0.4
76.99446	0.5
78.42832	0.4
89.36551	0.5
97.79552	0.4
113.75248	0.5
124.06895	0.4
128.10818	2.3
130.08731	100.0
170.11482	0.5
172.05785	0.5
174.74934	0.5
265.25470	0.8
274.38455	0.5
350.34192	4.3
390.25159	0.5
394.33286	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13070	0.9
59.01389	1.1
64.31141	0.8
71.68835	0.8
72.99303	39.0
72.99689	1.9
80.72363	1.0
84.33613	0.9
123.04516	8.7
135.04526	9.1
172.20151	1.0
179.03503	42.9
197.04578	100.0
220.62962	1.0
271.64072	1.0
304.89081	0.9
359.09891	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13723	0.9
59.01392	4.1
66.23853	1.0
67.53634	1.0
71.01372	1.7
72.99303	41.2
78.95899	1.9
89.02462	2.5
96.96951	8.1
101.02458	1.9
111.00862	1.4
123.04512	9.0
135.04515	11.1
150.55724	1.2
164.57835	1.2
165.04027	1.4
179.03506	44.5
185.45230	1.4
190.05632	1.3
191.05612	2.8
197.04567	100.0
269.54770	1.3
359.09879	82.6
385.52792	1.3
395.11829	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91360	0.5
59.01384	1.1
65.11964	0.5
72.99306	44.5
92.23169	0.6
111.00866	0.5
115.04046	1.0
118.44198	0.7
123.04522	13.0
135.04529	15.7
179.03508	49.7
197.04570	100.0
245.94496	0.6
275.70016	0.7
279.11026	1.2
294.34015	0.6
320.23395	0.6
359.09918	33.9
395.11508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77987	0.8
56.24797	1.3
58.73064	1.1
60.11232	0.8
67.22897	0.9
71.73390	0.9
72.99304	33.8
81.72021	1.2
91.12672	0.9
94.59951	1.0
106.32749	1.0
123.04466	8.3
125.59233	1.1
135.04530	11.4
155.68272	1.1
179.03510	43.9
197.04568	100.0
283.10165	1.2
285.00943	1.0
359.09885	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57634	0.7
56.93965	0.8
59.01374	5.7
65.48196	0.8
68.90683	0.8
70.06449	0.8
71.01381	1.5
72.99300	13.2
73.02938	5.4
81.03452	7.0
83.01390	4.8
83.05023	4.6
85.02931	1.7
87.29673	0.9
87.99752	0.8
92.26224	1.0
93.03447	7.4
97.02944	8.0
101.02444	3.9
107.06124	0.9
109.02932	21.4
111.04509	35.3
112.04858	5.1
113.02467	1.4
113.04994	1.9
119.05017	15.4
125.06097	1.4
127.04011	35.9
128.04350	10.6
129.04469	8.8
134.03729	4.9
136.04260	1.2
137.02405	3.9
138.02826	1.0
141.05588	10.9
153.01894	1.2
155.03494	30.5
155.04689	1.9
156.03850	8.1
157.03964	9.1
159.02995	5.9
163.04015	18.4
169.05042	5.6
171.03027	1.3
184.28577	0.8
185.04568	44.5
187.06122	8.6
193.05107	1.0
195.05595	1.5
199.02518	20.6
200.02846	8.6
201.02953	14.9
203.05643	5.4
217.03470	1.1
218.03778	1.0
219.04059	3.9
231.05096	100.0
243.99603	0.9
259.80725	0.9
263.15106	3.4
279.43137	0.9
283.44662	0.9
395.09677	1.2
395.19354	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59627	0.6
61.11017	0.5
72.99303	40.9
77.19002	0.5
77.21146	0.6
97.99854	0.6
123.04517	15.9
135.04532	20.0
151.04068	0.7
179.01910	1.1
179.03502	40.1
197.04565	100.0
395.31329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08263	0.7
61.06802	0.9
67.38974	0.7
72.99304	45.4
102.85410	0.8
123.04515	17.5
129.39970	0.9
135.04527	22.2
151.48686	0.8
161.93620	0.9
179.03503	48.7
181.60130	0.8
197.04565	100.0
207.14687	0.9
218.21164	0.9
241.81398	0.9
395.09814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99841	0.6
72.99303	48.0
83.94967	0.6
97.26639	0.6
110.18031	0.6
123.04509	16.9
134.27890	0.6
135.04536	22.6
136.52895	0.6
148.92436	0.6
151.03987	0.7
179.03506	44.7
197.04570	100.0
273.05331	0.6
335.93289	0.7
351.57047	0.7
395.10532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65331	0.6
54.71338	0.6
72.99306	45.3
101.18433	0.7
110.54635	0.7
123.04510	17.1
135.04536	21.4
179.03508	43.2
197.04570	100.0
234.81375	0.8
259.54492	0.8
356.36792	0.8
395.10083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73643	0.4
56.35403	0.4
70.59810	0.5
71.01388	1.0
75.00869	5.1
76.26561	0.4
76.34971	0.4
81.02548	0.4
85.02938	3.9
88.45589	0.5
89.02441	2.2
105.38300	0.4
117.01914	0.7
120.69428	0.5
134.03677	0.4
135.02998	100.0
135.04500	19.6
136.44724	0.4
147.04559	3.3
153.86043	0.4
161.02455	4.5
179.03513	14.0
205.05061	3.5
214.85454	0.5
221.30281	0.5
233.08206	9.2
277.07083	0.5
297.06192	14.8
395.09863	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81051	0.5
58.40858	0.5
58.93647	0.5
59.01379	2.6
61.24315	0.5
62.88380	0.4
71.01349	1.9
72.99302	47.7
86.39012	0.6
89.02442	1.0
94.74155	0.5
96.87634	0.5
113.02390	0.6
123.04512	17.8
130.03540	0.6
135.04523	21.9
137.00977	0.7
155.37552	0.6
170.48897	0.6
176.73444	0.6
179.01910	1.3
179.03503	49.1
197.04561	100.0
263.11285	0.9
296.39420	0.9
310.53229	0.5
333.65872	0.7
335.08810	0.6
395.09964	2.1
395.15323	2.8
419.73407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98889	1.5
72.99303	42.7
105.71066	0.7
123.04514	17.6
135.04527	23.1
137.39650	0.8
145.86531	0.7
148.45807	0.7
153.71176	0.7
161.63210	0.8
173.76575	0.7
179.03499	46.1
197.04562	100.0
210.61127	0.8
257.14426	0.8
359.10019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68869	1.7
53.86745	1.7
59.01382	4.2
71.01377	10.1
72.99305	50.2
75.00856	3.8
78.95896	2.8
83.00133	2.1
85.82214	1.9
89.02461	2.7
101.02470	3.3
115.04002	2.3
117.01919	4.5
123.04543	21.8
135.04501	25.7
141.06973	2.0
147.55653	1.8
179.03510	47.7
197.04572	100.0
395.11517	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48599	0.8
55.66834	0.7
56.24413	0.7
60.51691	0.7
63.03236	0.8
72.99302	45.7
109.59171	0.8
117.39220	0.8
117.48546	0.7
120.03045	0.8
123.04521	21.5
135.04523	21.1
151.04015	0.8
179.03517	48.2
197.04561	100.0
395.09860	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87865	0.5
63.11754	0.5
72.02540	0.9
72.99306	40.6
77.89428	0.5
91.07071	0.6
123.04520	18.2
134.03874	0.8
135.04535	21.5
149.83981	0.7
179.01930	1.4
179.03506	46.8
197.04572	100.0
291.89255	0.8
299.60645	1.1
331.71228	0.7
395.10092	1.3
395.15500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
71.01348	1.2
72.99306	49.0
74.79929	1.1
75.20000	1.4
101.06550	1.4
107.04944	1.7
122.35849	1.7
123.04530	16.3
135.04541	21.5
146.42934	1.4
179.03505	41.7
197.04568	100.0
197.82111	1.6
237.56995	1.4
376.20096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19962	0.5
71.71893	0.6
72.99300	44.0
123.04508	18.2
125.57649	0.8
135.04520	24.4
137.63719	0.7
145.98491	0.6
179.03496	52.2
197.04558	100.0
215.05537	0.9
224.78151	0.7
244.14845	0.7
259.17636	0.7
263.31375	0.8
328.74741	0.6
359.09775	3.6
395.09708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94227	0.8
59.01377	5.4
71.01376	4.6
72.99300	40.0
79.48409	0.9
87.53834	0.9
89.02434	4.2
89.68888	0.9
101.02453	4.2
115.45952	1.3
116.45956	1.0
119.03482	1.5
123.04502	15.5
135.04515	17.2
169.37431	1.1
179.03505	44.5
197.04570	100.0
279.10855	5.1
291.30817	1.1
316.94058	1.2
359.09894	35.1
359.13907	1.2
377.83514	1.4
395.11188	1.1
395.15689	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87482	0.6
55.98061	0.7
69.14849	0.8
69.95031	0.7
72.99303	49.4
75.66218	0.7
89.26595	0.7
95.63554	0.9
103.30279	0.7
118.62524	0.7
122.69041	0.7
123.04507	20.6
133.35869	0.7
135.04530	21.6
175.85629	0.7
179.03505	46.2
197.04561	100.0
197.43002	0.7
293.30896	0.9
395.09726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44902	1.7
63.11755	1.7
64.05756	2.1
66.71873	1.9
67.84753	2.0
71.05019	2.0
72.99322	11.2
83.05031	10.6
101.88963	2.0
109.02943	4.1
111.04510	25.5
115.04002	100.0
115.49439	1.9
117.34389	2.4
119.05031	16.3
127.04002	48.6
129.05554	2.4
137.02518	3.2
145.02974	5.1
155.03499	47.4
163.04007	20.6
171.03024	2.7
185.04559	5.2
186.00156	2.6
199.02498	27.3
217.03546	77.3
231.05084	48.0
249.06187	31.7
255.40202	2.3
363.07266	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21695	0.2
59.01377	2.7
68.37820	0.2
71.01373	1.3
72.99278	0.2
75.00865	6.1
77.67475	0.2
84.38657	0.3
85.02940	4.8
89.02440	2.1
90.99490	0.3
117.01938	1.1
135.02992	100.0
135.04529	23.1
147.04518	2.2
148.05278	0.3
161.02446	4.2
161.06073	0.5
169.28215	0.3
179.03488	12.2
205.03218	0.5
205.05029	4.7
233.08217	9.6
277.07217	1.1
297.06180	16.9
316.72479	0.3
387.34833	0.3
395.09863	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15123	1.2
57.81429	1.2
59.01382	6.8
66.18597	1.2
78.95898	2.0
87.63100	1.2
97.83070	1.4
103.00370	5.7
117.03456	2.8
134.03746	70.5
137.02522	1.4
138.92087	1.2
149.06076	13.0
149.70413	1.2
178.02701	6.1
193.05064	100.0
210.20595	1.5
244.26138	1.6
264.60226	1.4
291.08749	19.7
308.56244	1.5
309.09579	1.9
395.12772	1.4
395.17395	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16200	0.8
61.62412	0.8
62.66293	1.0
62.75414	0.9
66.73105	0.8
71.05004	6.3
72.99306	5.6
83.05010	11.6
83.30260	1.0
97.02314	1.0
97.02926	1.9
97.60761	0.9
109.02940	6.5
111.04505	21.8
115.03998	100.0
119.05016	20.1
127.04003	33.6
129.05559	1.6
137.02449	5.2
148.78835	1.3
149.91460	0.9
155.03500	30.7
156.46625	1.0
163.04010	18.9
178.83745	0.9
185.04553	2.2
199.02477	17.0
217.03529	55.0
224.75972	1.0
231.05113	32.9
249.06137	9.9
363.07248	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.3
62.98928	0.6
66.35893	0.7
71.01380	1.6
72.99294	0.7
75.00881	5.7
75.06975	0.7
85.02946	4.1
89.02432	1.7
89.94781	0.9
94.64282	0.8
95.78671	0.8
113.02459	1.1
135.03006	100.0
135.04524	23.3
137.02434	1.5
145.02957	4.1
147.04509	3.2
155.03601	1.0
161.02463	3.2
172.94554	0.9
173.04443	0.8
179.03508	12.9
205.05067	4.7
233.08221	10.6
277.07214	1.2
297.06192	20.2
344.11014	0.9
395.09851	39.8
395.17606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
71.01396	1.6
72.99316	18.5
73.02956	1.7
75.00894	1.3
81.03490	1.9
83.05013	11.0
93.03462	3.5
95.01434	1.7
97.02971	8.9
109.02959	15.4
111.04508	28.0
113.02467	2.3
115.04004	27.1
117.03522	1.3
119.05018	31.0
127.04008	36.2
129.05589	1.7
130.74417	1.5
134.03741	8.2
137.02472	5.3
141.05597	5.5
145.02954	2.5
155.03502	44.0
159.02986	1.8
163.04024	18.1
169.05101	3.5
185.04564	63.5
187.06136	9.0
193.05098	6.9
199.02495	32.7
203.05605	11.9
217.03535	35.9
231.05119	100.0
249.06203	91.7
328.43555	1.7
363.07318	6.5
384.07635	1.6
395.19724	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65450	1.5
56.05149	1.4
59.23038	1.4
78.92832	1.8
78.95900	100.0
87.86074	1.6
96.97006	2.7
104.99566	1.6
112.01440	1.6
134.03763	2.1
150.97888	2.0
152.99577	94.0
163.50731	1.9
170.18996	1.8
171.00671	2.7
197.11784	7.6
236.17923	1.8
395.11179	78.1
395.16364	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46797	0.5
59.01385	4.6
67.01888	3.7
68.20923	0.6
71.01379	3.4
72.99308	16.6
73.02939	1.0
85.02942	2.5
87.00883	0.6
89.02436	4.2
101.02438	4.1
105.25298	0.7
106.78990	0.6
111.00872	100.0
113.02462	1.2
119.03467	0.7
121.05012	0.9
123.04502	4.2
135.04520	7.4
136.74823	0.6
161.04584	1.1
179.03508	15.6
190.28293	0.6
197.04562	40.0
222.48756	0.7
283.10345	10.4
359.09882	17.0
391.29721	0.7
395.11441	5.3
395.16220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92933	0.8
58.79809	1.0
59.01381	39.7
69.28206	0.8
71.01369	17.6
72.99297	15.5
73.02904	1.2
75.00865	23.6
85.02946	2.3
89.02434	18.6
97.02926	4.7
99.00848	2.0
99.04475	1.8
101.02431	15.5
101.50731	0.9
113.02413	4.0
115.04006	27.7
117.01913	1.7
119.03468	6.2
123.04514	4.4
135.04474	4.3
135.16388	1.0
161.04568	1.8
179.03506	17.1
197.04559	37.4
197.37764	0.9
216.42245	1.1
220.38255	1.1
245.23676	1.0
279.10779	1.8
294.85495	1.2
297.08215	4.0
359.09839	19.2
395.11868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92933	0.8
58.79809	1.0
59.01381	39.7
69.28206	0.8
71.01369	17.6
72.99297	15.5
73.02904	1.2
75.00865	23.6
85.02946	2.3
89.02434	18.6
97.02926	4.7
99.00848	2.0
99.04475	1.8
101.02431	15.5
101.50731	0.9
113.02413	4.0
115.04006	27.7
117.01913	1.7
119.03468	6.2
123.04514	4.4
135.04474	4.3
135.16388	1.0
161.04568	1.8
179.03506	17.1
197.04559	37.4
197.37764	0.9
216.42245	1.1
220.38255	1.1
245.23676	1.0
279.10779	1.8
294.85495	1.2
297.08215	4.0
359.09839	19.2
395.11868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55826	77.4
64.61752	84.1
71.29048	81.8
83.68680	76.8
98.26947	78.3
151.48650	78.9
172.28499	80.7
202.24869	88.3
308.76883	100.0
318.00702	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1534
Annotation	Mirabegron
Peak:m/z	Relative Intensity
56.75874	0.8
58.91682	0.7
59.19434	0.8
67.79872	0.7
78.95914	8.0
83.16367	0.8
84.93866	6.1
99.92586	42.5
100.93358	27.7
102.02922	0.8
109.83101	0.9
115.92065	42.8
115.92859	2.0
116.92854	95.7
136.63350	0.8
152.99576	17.6
186.38606	0.9
230.99687	1.8
240.56071	1.0
320.07254	6.1
377.14282	29.2
395.15356	100.0
395.21796	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38348	2.0
52.48426	1.7
66.13130	2.0
76.49666	1.9
84.93876	2.5
93.68150	2.2
99.92583	55.8
100.93340	28.8
110.20105	2.4
115.92086	30.7
116.07191	2.2
116.92851	100.0
152.59189	2.0
154.81071	2.3
219.37929	2.4
236.05070	2.9
245.70648	2.5
293.68463	3.3
297.24283	3.2
299.39655	3.1
333.24680	2.3
377.14343	21.2
395.15408	87.2
395.23209	2.9
395.29016	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03994	1.0
60.04216	0.9
65.39208	0.9
66.70970	0.9
69.42554	0.9
77.95753	0.9
78.95907	14.5
82.48644	1.1
84.93879	6.3
89.70756	1.0
96.96043	1.3
99.92581	53.1
100.90385	1.4
100.93358	31.8
115.92073	59.2
116.92854	100.0
152.99591	34.2
196.34369	1.2
199.88379	1.2
230.99626	2.1
241.21724	2.1
247.20647	1.4
320.07224	5.2
359.13318	2.6
373.11069	7.6
377.14316	50.9
391.12125	6.7
395.15338	80.2
395.21918	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1534
Annotation	Mirabegron
Peak:m/z	Relative Intensity
63.28341	1.0
78.95914	1.5
82.14967	1.2
84.93867	4.9
86.39023	1.0
99.92582	49.1
100.93362	17.0
115.92072	33.2
116.92857	100.0
122.64088	1.2
130.77722	1.4
166.38290	1.2
186.74820	1.5
212.74641	1.2
251.83003	1.3
262.81873	1.3
265.21854	4.6
268.19720	1.2
277.21820	20.7
295.22894	6.6
297.23914	1.3
299.42401	1.3
347.13333	1.7
369.65390	1.3
377.14270	4.7
395.15363	85.4
400.85748	1.2
401.40601	1.5
401.45844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1558
Annotation	Mirabegron
Peak:m/z	Relative Intensity
53.39489	0.8
56.66368	0.8
59.01380	25.7
60.80643	0.9
63.34268	1.0
71.01378	26.8
72.99306	2.4
73.02964	9.2
80.51670	0.8
83.01389	2.2
85.02953	10.4
89.02442	23.8
92.22552	1.2
95.01314	1.0
97.63396	0.9
99.00871	13.3
101.02436	30.9
101.99504	1.0
113.02435	19.1
119.03512	7.8
131.03433	1.2
149.04594	1.1
161.04562	9.7
179.03448	1.1
191.05688	1.8
197.04527	4.6
243.79329	1.1
263.11377	15.6
359.09909	1.7
395.15607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58362	1.0
53.64320	0.9
59.01381	100.0
70.88640	1.0
71.01374	31.4
72.12847	1.0
72.66463	0.9
73.02972	2.1
74.15224	1.2
75.00874	10.6
75.54798	1.0
83.34478	1.0
85.02946	4.4
89.02433	23.9
99.00872	1.7
101.02438	13.3
111.00883	1.2
113.02430	6.8
115.03986	12.9
119.03502	5.0
152.00078	1.1
161.04550	2.1
181.55905	1.3
245.10275	2.3
263.11407	6.6
305.12466	31.6
317.08975	1.1
317.12286	7.5
335.17215	4.3
395.11862	35.6
395.17273	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47312	0.8
59.01383	100.0
71.01374	23.3
71.01728	1.2
73.02929	1.3
75.00868	1.2
85.02926	1.4
89.02426	15.1
97.24994	0.9
101.02443	6.1
104.75474	1.0
112.84072	0.9
113.02454	2.1
139.87013	0.9
161.04565	1.6
163.88780	0.9
176.07831	0.9
217.03497	1.2
237.09813	4.1
263.11273	2.0
305.12457	27.9
317.12323	3.5
348.10306	1.6
395.10074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1926
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01881	1.0
57.03444	1.1
59.01385	19.3
71.01379	21.2
73.02943	16.0
83.01393	4.5
85.02942	12.3
85.14137	0.9
87.00832	1.5
89.02438	4.9
91.05728	0.9
95.01366	1.3
99.00893	7.5
101.02438	39.3
101.72010	1.0
111.04502	1.4
112.04876	1.0
113.02441	13.9
115.03976	1.5
127.03991	2.2
133.70482	0.9
155.03447	4.1
159.02931	1.5
159.51273	0.9
161.04544	6.0
188.20468	0.9
199.02478	1.4
201.03093	1.2
204.70079	1.0
206.57544	0.9
231.05038	1.5
261.73721	1.1
263.14993	23.2
395.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.73491	1.0
57.03444	1.5
59.01141	1.4
59.01381	17.2
60.82701	0.9
68.00134	0.8
71.01381	26.2
73.02940	15.6
83.01374	4.8
85.02948	14.0
89.02443	6.1
95.01388	1.9
99.00894	7.7
101.02439	39.4
102.52966	1.0
103.52232	0.9
111.04531	1.9
113.02437	16.8
125.02540	1.2
127.03992	2.2
137.94792	0.9
139.65681	1.1
155.03474	1.2
159.02979	1.6
161.04575	8.0
188.82864	1.0
199.02556	1.3
233.06610	1.1
263.14999	18.8
264.80777	1.1
279.93689	1.0
310.53564	1.2
313.77585	1.1
314.91592	1.1
380.18509	1.0
395.19229	100.0
406.38873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03431	0.7
57.04256	0.5
59.01382	23.8
60.54070	0.5
63.85333	0.5
71.01379	24.9
72.99315	0.8
73.02946	17.4
74.40327	0.5
79.58210	0.6
83.01380	6.4
83.05031	0.6
85.02950	15.9
86.00105	0.5
87.00890	0.8
89.02459	6.0
95.01370	1.3
97.02939	0.8
97.49988	0.6
99.00892	7.6
101.02440	42.4
111.00877	1.2
111.04515	2.3
113.02443	16.4
125.02444	0.7
127.03973	2.9
143.03500	0.9
144.33005	0.6
155.03488	1.1
159.03008	2.7
161.04591	6.7
171.10358	0.8
195.14258	0.6
199.02440	0.9
203.63687	0.8
217.52272	0.7
231.04976	0.9
237.00983	0.7
263.15018	25.5
277.72940	0.7
395.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2077
Annotation	Sinuolatin A
Peak:m/z	Relative Intensity
59.01366	1.2
62.16174	0.6
71.66818	0.6
78.95898	9.3
81.31580	0.7
96.96925	1.3
101.62020	0.7
103.19718	0.7
111.84412	0.8
115.07639	100.0
115.68171	0.7
137.51413	0.7
152.99593	40.1
169.09682	0.7
171.00597	1.3
174.79131	0.7
175.11250	2.7
189.12759	0.9
191.14430	14.8
195.74156	0.7
207.13855	3.5
226.18033	0.6
235.11072	1.5
235.13399	41.1
273.10361	0.7
275.61182	0.8
308.26578	0.7
314.79126	0.9
315.28009	1.1
344.96194	0.8
349.20102	1.1
395.20859	46.0
402.41632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25961	0.6
96.96002	100.0
139.11264	1.3
173.98892	0.8
207.07045	1.1
229.14474	0.8
233.87398	0.8
254.54659	0.9
289.87024	0.8
297.24274	1.8
313.23868	1.2
315.25433	33.5
358.94156	5.3
395.21085	98.9
395.29321	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2207
Annotation	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate
Peak:m/z	Relative Intensity
51.14128	0.5
66.54301	0.6
67.42361	0.6
78.95901	39.5
81.29303	0.6
82.69534	0.6
96.96945	4.2
110.81797	0.6
150.98073	1.1
152.99586	100.0
171.00639	2.4
194.00830	0.7
241.21643	4.8
395.22046	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68864	0.5
61.35192	0.5
70.81588	0.5
78.95904	42.5
92.23161	0.9
93.29013	0.6
96.96961	4.0
99.41453	0.5
123.74566	0.6
146.30536	0.6
150.98051	0.9
152.99591	100.0
171.00655	2.4
172.32169	0.5
241.21738	4.2
268.56781	0.7
395.22079	38.6
409.00620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62375	0.5
57.16565	0.6
59.01375	1.8
78.95897	39.4
82.05524	0.6
82.07776	0.6
93.03867	0.6
96.96955	4.6
110.17828	0.8
150.97957	1.0
152.54402	0.7
152.99580	100.0
171.00648	4.0
219.20517	0.8
237.54376	0.9
241.21735	5.1
388.34042	0.8
395.22064	43.1
395.27457	3.0
414.41824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08038	0.7
56.76418	0.6
58.15409	0.7
75.21363	0.7
75.25089	0.7
75.54009	0.8
78.95906	43.3
78.96368	1.8
82.77127	0.8
96.96938	4.3
99.06290	0.8
117.15592	0.9
146.57057	0.7
150.98067	1.1
152.99588	100.0
171.00635	1.6
241.21719	5.7
389.33505	1.0
395.22055	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23903	0.5
79.94309	0.6
87.51446	0.7
95.43248	0.6
119.44279	0.6
180.16798	0.7
185.06192	1.1
211.07683	4.4
213.09258	3.3
225.09109	0.8
227.10782	71.2
239.10785	18.0
241.08682	1.0
241.12454	0.8
243.10193	2.5
256.10983	1.0
257.11844	0.9
267.13739	0.8
271.13626	1.1
279.23312	7.7
281.15414	6.1
283.13498	1.2
283.16885	0.8
311.16730	0.8
351.23343	100.0
367.26624	0.8
371.19504	0.7
395.21997	6.7
395.26279	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05043	1.7
59.01381	10.5
61.45595	1.6
63.70065	2.0
75.00865	11.8
77.55754	1.8
81.63950	1.8
83.82274	1.7
96.08773	1.8
127.11298	3.0
155.10742	4.6
171.10284	11.7
179.10811	2.5
183.09998	19.2
193.08481	36.4
195.10078	11.0
199.09740	2.3
201.11339	93.5
222.08606	2.7
223.07492	3.3
223.09543	68.0
227.09114	3.0
241.09351	27.8
267.19766	2.6
277.21765	8.7
293.17856	4.0
295.22617	3.5
299.19882	4.1
313.23907	67.7
317.20963	19.9
335.22107	100.0
379.21146	3.2
395.23849	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81271	0.7
59.01385	1.7
62.49315	0.6
64.22951	0.7
66.53844	0.8
78.95894	0.9
79.07092	0.7
93.03420	0.9
99.92579	0.9
108.28378	0.7
115.92076	1.3
116.92808	1.7
118.61745	0.9
137.02463	1.3
138.33438	0.8
155.03387	1.0
168.91949	0.8
183.10323	3.8
199.13431	1.4
277.21750	100.0
279.23511	2.9
295.22723	1.7
301.21503	0.9
317.21036	1.4
335.22073	4.2
395.15433	1.5
395.24359	16.4
395.28897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2441
Annotation	Australin A
Peak:m/z	Relative Intensity
50.54889	0.7
59.01390	1.2
59.16866	0.7
67.46645	0.8
71.05023	1.5
114.50858	0.9
126.80372	0.8
152.99529	1.7
160.67320	0.9
167.14388	2.0
179.10764	4.6
197.11816	2.0
199.13432	3.8
207.17574	1.3
215.12851	1.1
223.20631	1.8
243.40939	0.9
248.56982	0.8
249.18611	5.7
264.92526	0.8
267.19678	100.0
275.16522	7.9
293.17636	39.3
293.20679	1.5
311.18695	6.6
377.23425	3.9
395.24426	60.1
400.24725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82948	0.9
53.74913	1.0
59.01386	5.9
61.98844	1.5
77.93715	1.1
78.95905	9.9
80.04125	1.0
86.15642	1.1
88.04036	4.8
99.92564	1.4
104.20646	1.2
116.92855	5.5
125.25790	1.3
152.99571	8.1
153.12840	27.2
182.90775	1.2
197.11845	39.7
209.73466	1.4
215.12875	100.0
220.85098	1.2
265.68127	1.6
277.21747	45.3
286.70584	1.3
320.19046	1.2
365.77542	1.3
395.15332	1.5
395.24811	2.3
395.28287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93610	0.7
78.95896	12.4
101.06075	17.8
122.03758	1.7
123.04353	0.8
124.80968	0.8
136.05353	0.7
143.34579	0.9
152.99565	5.1
164.08455	1.1
193.34702	0.9
231.17590	1.2
247.17111	1.2
249.18639	23.2
267.19733	6.6
275.13571	1.5
275.16525	22.2
277.21765	3.6
279.19675	0.9
293.17618	100.0
311.18765	5.6
324.58438	1.0
395.26047	0.8
395.28723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2442
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
52.77393	0.9
54.06493	1.0
55.80207	1.3
59.01384	100.0
59.91416	1.1
61.98836	1.2
64.08929	1.4
65.45735	1.0
69.07497	1.3
70.11125	1.0
70.20847	1.3
74.02504	1.3
77.14602	1.0
80.71399	1.2
87.00864	1.5
94.20953	1.1
94.42262	1.2
103.04032	1.6
106.11554	1.3
125.09660	1.4
185.11810	1.6
187.09856	1.6
199.92920	1.4
219.46883	1.2
251.16563	1.3
333.24390	6.2
395.21286	3.7
395.24689	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11290	0.4
56.07127	0.5
65.15308	0.5
71.01379	59.6
84.29558	0.5
100.93356	0.8
101.72663	0.6
115.00357	15.1
115.01089	1.0
115.92110	0.8
123.89616	0.6
133.01414	0.8
187.02342	0.7
279.23315	100.0
395.24582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2442
Annotation	Australin A
Peak:m/z	Relative Intensity
56.67184	0.6
59.01382	100.0
60.19868	0.7
61.43074	0.6
74.59978	0.7
251.17862	1.0
264.13055	0.8
299.20087	5.5
317.21210	24.6
335.22293	42.7
395.16418	0.8
395.24661	15.3
408.97925	0.8
417.33759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	2.5
74.48312	2.1
77.87925	2.2
78.95908	4.6
85.42032	2.5
85.84626	2.4
89.34617	2.3
97.06571	2.5
99.92603	4.5
101.06079	26.2
103.45500	2.5
111.04495	5.1
116.07178	14.8
116.92869	10.6
136.05286	24.8
136.82719	2.7
139.07611	3.9
141.05553	2.5
152.04790	14.1
152.99501	4.3
153.12871	28.2
169.08707	10.0
179.10811	48.1
180.07932	2.5
188.85435	2.7
190.03169	2.4
195.10347	23.8
197.11832	19.9
199.13441	2.8
209.20631	2.3
211.13531	3.4
215.12904	14.6
241.18124	4.3
247.17058	2.5
255.16057	3.2
263.16605	31.8
265.18042	5.9
267.19736	3.6
273.14886	22.6
275.16550	14.0
281.17645	16.7
291.16016	17.5
293.17624	22.2
294.14731	27.7
295.22961	3.4
297.24384	2.7
309.17111	100.0
311.18622	3.6
333.24371	98.4
351.25464	13.9
377.23224	17.6
383.97937	2.6
385.29269	2.9
395.15231	9.7
395.24121	26.7
395.29889	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.1
57.03511	1.4
57.47542	1.6
59.01387	1.8
61.98840	1.7
71.92738	1.6
73.02930	2.8
75.00848	1.8
84.31252	1.4
87.00875	2.8
99.00874	100.0
117.01925	18.9
117.17829	1.7
135.03003	9.4
171.10295	18.5
199.13454	2.6
214.07977	1.7
277.21744	46.5
295.22806	78.8
395.24298	69.4
395.28146	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05262	1.3
51.49009	1.4
59.01357	1.9
64.11247	1.6
71.62964	1.5
78.95898	3.1
97.53992	1.6
101.06104	3.6
111.04527	2.4
116.07172	2.7
139.11285	2.7
149.09686	3.3
151.11180	2.5
151.47559	1.6
152.04794	28.8
152.99586	21.0
153.12810	3.9
167.10780	13.5
177.09064	5.7
177.26042	1.6
179.10793	12.9
180.07928	32.0
195.10281	100.0
197.11813	11.9
199.13380	10.7
215.12914	12.9
227.12936	2.5
267.19632	25.1
275.16638	10.0
283.15494	2.9
289.25473	2.0
293.17657	22.8
293.20938	2.6
311.18542	6.7
333.24405	63.1
351.25470	10.1
377.23331	9.3
395.23709	12.2
395.28802	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2555
Annotation	1-Hexadecyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
57.03439	2.9
58.02977	3.3
59.01368	1.4
62.38135	0.7
63.11996	0.6
75.21132	0.7
108.75994	0.8
111.08120	6.0
136.07622	0.8
137.09743	1.6
152.10840	7.7
153.12805	8.8
170.11847	19.4
179.14436	7.8
182.11964	0.9
194.15498	12.7
204.13942	0.8
212.16573	30.5
224.16386	1.0
265.46152	0.9
315.24341	1.4
316.22870	1.3
333.25565	16.0
351.26541	8.4
377.24539	3.3
395.25568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2601
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
51.49512	0.6
59.01388	0.7
66.10591	0.5
78.95901	1.1
80.64896	0.6
82.99731	0.7
90.03050	0.5
92.22486	0.8
102.59374	0.7
102.88263	0.6
115.00406	0.7
148.70013	0.7
152.99609	4.8
171.10265	2.9
173.06129	0.7
185.06120	0.9
188.04800	0.7
189.05621	0.9
189.09203	0.8
201.05609	1.1
202.06412	0.8
203.07205	1.1
211.07701	2.6
213.05580	4.2
213.09258	4.3
215.07268	1.2
221.07468	0.7
225.09077	0.7
227.07104	3.1
227.10789	50.7
227.13065	1.7
229.08699	4.3
229.12292	2.4
239.10764	11.3
241.08728	7.7
241.12360	4.7
242.09502	2.4
243.10313	8.9
243.13860	1.1
254.09550	1.5
255.10234	2.8
255.13976	0.9
256.11108	6.5
256.14688	1.0
257.11743	6.8
258.12634	1.3
267.19626	0.9
269.11859	2.9
271.13416	7.3
277.21725	8.0
279.23309	54.3
281.15497	4.2
282.16122	0.7
283.13419	7.1
283.16745	0.9
284.14172	4.3
311.16559	3.4
326.18948	3.5
345.24423	3.2
351.23331	65.7
363.25543	2.4
367.26453	7.0
395.26047	100.0
395.31680	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.43225	0.3
71.01349	0.4
78.95889	0.8
115.04036	0.8
133.05109	1.7
152.99608	1.0
183.77364	0.5
211.13380	1.7
221.46481	0.4
279.23315	100.0
303.24261	0.7
321.25555	2.0
326.21524	0.7
345.24329	1.0
349.31100	3.6
351.30151	1.0
377.26956	2.6
395.28363	7.5
395.32092	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14640	1.2
59.01397	1.5
151.11357	6.0
165.12926	5.8
167.10841	2.0
177.12920	1.6
179.10852	3.3
179.14487	7.8
277.18710	2.7
277.21906	12.8
278.22009	1.8
279.23413	11.6
287.64719	1.5
297.24371	10.2
301.25540	5.9
306.18707	1.5
307.19382	2.0
307.49911	1.4
318.29105	1.5
345.24368	73.3
348.53259	1.4
363.25452	100.0
395.27802	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37827	0.5
56.87544	0.5
57.76971	0.5
59.01377	1.0
60.08525	0.5
65.49102	0.5
67.47798	0.5
87.92643	0.6
93.59612	0.5
97.02929	1.1
115.03992	9.9
117.96901	0.6
119.11204	0.6
133.05110	1.1
149.50269	0.6
253.78577	0.6
255.23250	2.7
279.23312	100.0
395.27979	10.4
395.32211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
59.83794	0.6
61.35890	0.6
66.49915	0.6
66.76614	0.7
71.01388	0.9
79.38125	0.6
86.10552	0.6
135.72255	0.7
152.99565	1.2
159.64647	0.8
190.54510	0.7
227.10767	6.9
233.06561	0.7
239.10869	1.3
279.23318	100.0
301.21832	4.2
301.25089	1.9
345.24429	7.4
351.23358	13.0
363.25385	14.1
395.22156	1.1
395.27759	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28179	0.4
58.94140	0.4
62.56134	0.5
64.94767	0.4
71.87770	0.5
73.16530	0.4
118.71491	0.4
152.99545	0.8
180.26208	0.4
191.57976	0.5
217.36386	0.5
221.83504	0.4
279.23306	100.0
355.64398	0.5
359.58752	0.4
381.24222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2808
Annotation	12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
59.01386	1.9
91.27927	1.2
91.37303	1.2
104.03886	1.5
116.92845	2.0
126.51730	1.3
140.87636	1.1
178.87798	1.1
208.88264	1.3
220.41034	1.3
259.16953	1.4
277.18277	1.9
293.21436	1.5
309.20764	54.7
390.66116	1.4
395.14838	2.3
395.22766	3.2
395.28055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33490	0.9
54.09999	0.8
55.01869	1.0
68.62555	0.9
73.02943	1.4
78.95908	2.1
92.22498	1.6
99.00876	21.9
105.91118	1.1
109.57367	1.0
117.01942	4.3
118.92696	0.9
135.02969	1.4
135.11810	4.2
147.13884	1.0
152.99619	5.0
154.58490	0.9
157.12466	1.3
163.11293	36.9
177.12874	4.8
181.12425	2.2
185.11790	2.4
195.13957	3.9
199.13422	61.9
207.10313	1.5
277.21860	5.4
295.22784	23.0
395.14249	1.8
395.24246	5.5
395.28152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
60.50627	0.5
61.45315	0.5
61.98809	1.0
78.95905	4.3
83.50367	0.6
99.92611	1.6
116.92860	1.1
133.18338	0.6
139.34457	0.6
152.99573	10.6
160.94691	0.8
163.38348	0.6
250.84464	0.6
266.77606	0.8
279.00980	0.7
307.30084	2.4
309.17163	1.4
333.24240	3.2
351.29190	5.1
395.22742	4.8
395.28040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61644	0.8
51.26457	0.9
52.19157	0.9
58.02975	11.6
58.20102	0.8
58.84698	0.9
70.02982	16.6
71.02508	2.0
87.05632	1.5
89.06553	1.0
96.00899	23.7
113.03559	13.5
114.01962	30.9
131.04620	19.7
140.90167	0.9
278.46805	1.0
280.26443	23.7
306.28116	6.6
333.29083	1.3
377.28110	27.8
395.29202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63143	0.5
56.31487	0.6
58.02979	12.0
58.50390	0.6
63.57986	0.6
70.02975	15.9
71.02499	1.3
76.00166	0.7
83.50145	0.7
87.05627	3.2
89.27482	0.6
95.88452	0.7
96.00916	21.7
113.03586	11.1
114.01960	30.7
131.04623	20.0
157.44403	0.8
182.45615	0.7
280.26447	19.3
306.27985	4.8
333.29080	1.0
334.27606	1.3
377.28146	30.1
390.50101	0.8
395.29181	100.0
410.28772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83983	0.6
56.50697	0.6
57.20301	0.6
58.02966	4.0
59.01379	7.0
61.98840	1.7
67.41899	0.7
78.95899	0.7
94.81934	0.7
96.53473	0.8
96.96006	6.1
101.01038	0.8
114.76674	0.7
119.08700	2.6
131.31810	0.9
234.37009	0.8
280.26431	3.0
292.26367	2.4
333.29190	16.2
334.27722	8.9
335.22415	9.0
355.87952	0.8
377.28262	1.1
378.26566	7.8
395.23526	5.6
395.29141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.5
59.01377	4.6
70.70134	0.7
79.56791	0.7
79.95734	8.7
96.96011	1.1
111.08131	1.2
133.08823	0.7
137.73639	0.6
154.57751	0.7
172.09737	1.3
173.10092	1.7
181.32332	0.7
184.46887	0.8
204.24147	0.7
221.08543	19.8
222.08885	20.5
236.06035	1.1
238.48007	0.8
280.26434	3.1
281.72791	1.0
291.26996	1.0
292.26328	2.6
315.28064	0.9
333.29120	17.6
334.27573	12.6
378.26694	7.0
395.29169	100.0
398.43234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3167
Annotation	7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate
Peak:m/z	Relative Intensity
54.00018	0.6
66.36364	0.5
67.67927	0.5
71.55579	0.6
77.62576	0.6
106.47958	0.6
114.33624	0.7
133.49150	0.7
139.11362	1.0
152.37999	0.6
155.14430	6.3
169.15855	0.6
171.97905	0.7
181.16066	1.0
195.17532	4.4
209.12680	0.7
209.19084	4.6
222.97687	0.6
223.17064	2.5
237.18689	0.9
239.20219	5.6
247.70071	0.8
279.23318	6.3
321.31610	1.1
339.40479	0.7
349.31140	50.7
379.15488	0.6
395.31705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94769	0.4
60.31854	0.5
62.36208	0.4
75.02672	0.5
81.03453	100.0
116.86090	0.5
125.02448	0.9
146.93816	0.5
267.26932	7.2
351.32861	0.9
378.64667	0.6
395.31659	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.7
55.55928	0.4
56.37146	0.5
56.70120	0.4
60.27713	0.4
62.83952	0.4
73.02946	5.5
82.90912	0.4
92.23070	0.8
96.84243	0.5
99.00879	100.0
101.36503	0.5
116.41573	0.5
117.01945	7.1
118.94642	0.5
125.11871	0.5
141.75433	0.5
165.65372	0.6
195.36630	0.6
198.22951	0.5
209.35287	0.5
217.18474	0.5
224.15248	0.5
224.32062	0.6
247.64317	0.5
372.31778	0.6
395.31702	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0728
Annotation	4-Keto-anhydrotetracycline
Peak:m/z	Relative Intensity
51.48804	0.4
60.49915	0.4
60.68831	0.4
61.98832	0.8
82.91377	0.6
99.81257	0.4
123.04482	0.6
132.04562	3.9
133.06628	0.7
159.03284	3.6
160.04039	14.1
161.94017	0.6
177.05542	2.4
185.50586	0.5
186.01944	0.6
187.02724	1.2
188.03539	100.0
191.52345	0.5
210.06558	0.6
220.02824	0.6
250.05112	1.0
278.04544	5.0
294.04120	1.0
308.05722	4.4
322.03616	12.5
336.05188	13.8
336.72400	0.5
337.05930	4.7
349.71237	0.6
352.08279	16.9
396.11108	0.8
401.94864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
62.98453	1.0
71.01381	5.5
89.02450	2.5
98.28423	1.1
113.02415	1.3
117.63510	1.2
118.01455	100.0
127.93106	1.1
132.10852	1.3
179.05565	1.3
273.08698	1.4
322.90186	1.2
396.11853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78552	1.9
51.90612	2.0
59.01102	3.8
59.01383	78.2
72.66631	2.0
93.54447	2.2
103.60344	2.0
147.99939	2.1
152.43747	2.6
158.87291	2.1
163.15057	2.2
249.18025	2.5
261.07986	4.7
276.10065	3.2
277.07321	3.2
278.08301	5.4
291.05319	14.3
292.06232	44.1
294.03320	2.4
305.07001	14.3
306.07779	100.0
306.11328	4.4
307.08472	34.3
320.09332	29.1
321.10089	23.3
322.10834	38.2
336.08676	4.0
336.12497	90.2
346.46790	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
62.35888	1.5
66.23037	2.0
121.74168	1.9
238.49300	1.8
249.06593	2.2
292.06339	7.2
305.06964	2.4
306.07648	9.8
307.08548	9.7
320.09064	4.2
321.10217	3.4
322.10858	12.6
336.12506	16.4
357.90021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30046	1.1
59.01382	100.0
63.21134	1.1
67.88540	1.5
69.36100	1.2
81.42226	1.3
94.50424	1.5
178.63789	1.3
278.08746	1.5
283.90079	1.5
292.06177	7.4
305.06870	3.1
306.07928	10.0
307.08514	7.7
320.09238	8.3
321.10095	2.2
322.11053	10.3
336.12378	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
72.18267	1.0
96.96942	1.4
102.71198	0.9
115.25548	1.1
132.77765	1.0
146.05049	1.1
156.45676	1.0
159.82295	1.0
291.05273	1.2
292.06284	8.6
297.34598	1.1
305.06982	4.1
306.07779	12.9
307.08493	8.2
307.29474	1.2
320.09302	8.2
321.10120	2.4
322.10852	10.2
336.12485	16.0
337.64069	1.3
365.08289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
81.76476	0.7
89.41261	0.9
143.79402	0.8
164.77884	0.8
208.83487	0.8
265.53278	1.1
292.06183	4.6
294.07770	1.2
305.06897	4.5
306.07727	8.0
306.16229	0.9
307.08463	6.7
317.26001	1.0
320.09268	7.3
321.10007	1.7
322.10925	10.5
336.12439	15.5
349.05347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99107	1.2
57.03429	1.1
58.63985	1.2
59.01396	1.6
79.91657	1.2
81.24358	1.4
86.02522	1.4
86.35593	1.3
87.93197	1.3
92.85780	1.4
93.21080	1.2
104.27920	1.2
125.72114	1.6
147.02907	1.6
200.18672	1.3
261.18619	100.0
305.17636	61.8
305.20776	1.7
312.00516	1.4
344.20438	1.5
349.16711	9.4
376.93826	1.4
396.11890	1.5
396.16574	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59476	0.3
57.19883	0.3
59.01380	0.9
61.98834	0.6
79.95731	2.8
95.95213	1.5
96.95369	0.9
96.95997	24.4
117.58685	0.3
122.97540	1.8
138.97079	0.4
274.99283	0.4
351.64349	0.4
352.21603	0.8
396.24277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39385	1.2
71.01377	71.2
72.01707	9.0
88.04030	12.3
99.58225	1.4
108.70306	1.6
110.40437	1.5
115.00368	18.9
116.00717	2.2
128.40985	1.7
153.91345	1.7
182.75330	1.7
188.56587	1.7
223.63118	1.5
279.23337	21.2
280.23660	100.0
280.26385	4.7
281.24902	2.7
334.08939	1.7
396.26865	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2547
Annotation	Merresectine C
Peak:m/z	Relative Intensity
54.36090	0.7
59.40537	0.5
66.91290	0.6
71.04592	0.8
75.37964	0.7
82.85064	0.7
94.56673	0.7
108.06293	0.7
108.57941	0.8
141.43568	0.7
163.11284	100.0
187.88760	0.9
220.13437	72.9
254.24840	3.4
279.28860	0.7
309.20691	0.9
310.20975	1.6
334.99426	0.8
396.25333	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66738	13.4
70.56503	13.2
72.46736	13.9
73.54845	13.2
81.13817	13.2
93.89227	14.5
94.29716	13.1
101.58007	17.6
103.67918	13.5
115.44867	14.1
129.37289	14.5
138.55872	15.6
148.40656	13.8
178.60574	15.1
216.88957	16.4
251.91832	14.1
346.24655	72.1
364.25766	84.5
396.26877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44490	5.3
59.85094	6.6
66.80492	5.5
69.55797	5.5
79.98846	6.3
80.67343	7.5
81.02998	6.4
87.44769	6.4
115.91344	6.8
130.08740	10.3
152.59904	7.0
152.99553	8.3
156.02901	6.9
185.27478	7.1
187.73578	7.2
235.36720	7.3
346.24588	27.8
364.25778	29.6
396.26334	100.0
411.92764	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59851	0.4
71.19505	0.5
99.00876	2.1
110.02466	0.7
121.08118	0.5
133.05174	0.6
140.03551	0.9
141.67181	0.5
201.15506	0.5
212.01581	0.5
255.23322	100.0
280.23706	2.2
350.37311	0.5
396.27707	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98842	3.2
63.09086	0.8
65.44883	0.7
67.52845	0.7
74.02504	0.8
77.07229	0.7
81.07510	0.9
188.01445	1.0
209.12552	0.9
214.14597	1.0
221.28474	0.9
299.17331	1.9
318.24445	4.8
336.25577	8.1
396.27676	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85056	0.9
58.02980	10.4
70.02965	1.3
71.01385	27.3
88.03539	2.3
88.04037	47.7
98.09785	1.0
104.29898	1.2
106.04221	1.8
114.01900	1.7
115.00362	15.4
119.05012	1.1
121.80155	1.4
132.02995	1.5
140.30699	1.3
174.49202	1.6
202.17070	1.2
279.23282	7.0
280.23572	22.7
280.26489	16.6
281.24881	18.4
311.51953	1.4
352.28601	4.9
375.53354	1.2
396.28085	100.0
399.21237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2912
Annotation	Sempervirone
Peak:m/z	Relative Intensity
54.52251	0.5
57.65364	0.5
58.02975	10.5
59.44960	0.5
61.79871	0.6
61.99479	0.5
68.98294	0.6
69.10467	0.6
71.01378	0.9
99.11900	0.6
106.04227	3.8
119.05000	1.3
124.23298	0.5
130.12843	0.6
132.67238	0.7
178.08778	2.4
208.67169	0.6
276.23181	0.7
280.23691	2.7
280.37836	0.8
298.24139	0.7
396.29102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25259	1.9
56.64354	1.5
59.01382	1.8
72.99303	29.0
74.22778	1.7
74.99101	2.0
83.05025	23.2
111.04510	16.2
115.04004	16.6
119.04984	4.3
122.89917	1.8
127.04013	89.8
128.01706	1.8
129.05576	9.8
135.04463	2.4
136.65533	1.8
137.02446	3.6
146.08238	10.7
146.89066	1.7
155.03508	82.8
163.56136	2.2
171.03009	7.6
173.04588	3.1
179.03493	2.5
181.14241	1.9
189.04062	7.9
199.02507	63.1
217.03558	82.4
217.05608	3.7
219.44099	1.7
235.02225	3.3
235.04597	100.0
239.88258	1.9
275.43484	2.4
290.42981	1.9
397.11301	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03001	1.4
55.93341	1.4
59.01374	3.3
59.06078	1.3
61.71605	1.8
67.01893	1.5
71.01366	3.3
72.99303	25.0
83.05026	23.5
88.56400	1.6
92.23145	1.5
93.03444	23.9
101.64749	1.6
111.04516	24.1
115.04015	14.6
127.04005	78.8
129.05588	7.8
135.04518	2.7
135.84607	1.5
137.02443	9.1
149.02457	8.4
155.03503	87.3
164.04797	15.6
171.03027	7.0
173.04546	100.0
178.02647	1.8
189.04066	2.8
193.05112	2.3
194.06503	1.9
197.57487	1.7
199.00919	1.7
199.02502	53.7
217.03537	72.2
223.06076	13.5
229.78410	1.6
235.04596	99.6
269.11182	1.8
397.11441	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24697	1.4
59.01379	3.0
63.61103	1.0
71.01385	1.5
72.99307	4.6
76.06593	1.1
81.03430	2.0
83.05017	5.3
85.02885	1.8
86.25466	1.1
93.03445	9.9
111.04514	40.9
115.03985	2.5
117.96239	1.3
127.04012	100.0
129.05513	1.6
135.04527	69.2
137.02435	19.5
145.02974	5.4
153.05582	5.2
155.03503	77.7
167.03442	1.6
173.04520	1.5
189.03984	1.4
191.10760	1.3
197.04614	6.3
199.02496	87.5
212.70203	1.4
217.03545	16.0
235.04599	18.8
270.13531	1.4
397.07593	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59752	1.2
59.01379	6.4
71.01372	6.3
72.99308	10.8
83.05025	11.8
85.02943	2.0
85.68215	1.3
88.91356	1.1
89.02474	1.9
92.22437	2.4
93.03447	1.7
101.02435	1.8
110.70747	1.2
111.04504	24.9
115.04012	7.4
116.39577	1.3
125.28864	1.1
127.04008	86.5
128.03554	2.1
129.05602	8.2
137.02443	5.7
144.04532	2.5
146.06071	2.6
155.03503	98.5
171.02956	1.8
189.03961	1.2
190.05096	2.9
199.02498	67.9
217.03534	100.0
218.23833	1.3
235.10925	5.6
243.06612	1.7
250.98914	1.3
307.12976	1.8
312.66049	1.2
379.08823	7.4
379.72055	1.3
397.09906	23.5
397.15009	1.5
397.17065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59752	1.2
59.01379	6.4
71.01372	6.3
72.99308	10.8
83.05025	11.8
85.02943	2.0
85.68215	1.3
88.91356	1.1
89.02474	1.9
92.22437	2.4
93.03447	1.7
101.02435	1.8
110.70747	1.2
111.04504	24.9
115.04012	7.4
116.39577	1.3
125.28864	1.1
127.04008	86.5
128.03554	2.1
129.05602	8.2
137.02443	5.7
144.04532	2.5
146.06071	2.6
155.03503	98.5
171.02956	1.8
189.03961	1.2
190.05096	2.9
199.02498	67.9
217.03534	100.0
218.23833	1.3
235.10925	5.6
243.06612	1.7
250.98914	1.3
307.12976	1.8
312.66049	1.2
379.08823	7.4
379.72055	1.3
397.09906	23.5
397.15009	1.5
397.17065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1144
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
55.32586	0.7
59.01377	8.5
60.01707	0.7
67.57099	0.7
71.59863	0.7
72.45007	0.6
79.88212	0.7
93.03454	1.3
111.04493	3.2
130.41154	0.7
137.02415	1.0
137.64578	0.7
147.04529	8.7
149.02426	46.5
155.03529	4.6
164.04793	99.0
165.60010	0.7
173.04535	7.3
179.07098	7.5
191.05624	6.3
205.03758	0.8
223.06128	100.0
397.11447	25.1
416.54700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77188	0.5
54.33509	0.5
59.01381	3.1
67.01892	1.2
71.01368	3.3
82.10756	0.6
82.81615	0.5
83.05000	0.6
93.03446	20.5
99.04607	0.6
109.02945	0.8
111.00851	0.6
111.04530	7.0
114.25480	0.6
123.63680	0.6
127.04057	0.6
134.03712	0.9
137.02438	5.5
147.04558	2.3
149.02406	9.5
155.03430	5.8
164.04799	14.7
173.04549	100.0
182.39046	0.6
193.05020	2.3
196.72543	0.8
207.30331	0.6
223.06110	13.7
234.55341	0.7
335.17938	0.8
397.11407	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
59.01376	0.8
59.28284	0.3
71.01359	2.4
73.02968	0.4
83.01402	0.3
85.02954	1.3
85.62269	0.3
93.03453	36.4
96.54193	0.3
99.04513	0.5
101.02401	0.7
113.02435	0.7
115.04018	0.3
125.13760	0.3
137.02446	100.0
137.10277	0.3
156.03687	0.3
161.04588	1.3
162.08656	0.3
164.04808	0.5
165.94485	0.3
173.04588	4.6
176.13057	0.3
250.55290	0.3
299.07803	0.5
397.11365	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
58.94522	0.9
59.01376	2.0
65.80392	1.2
67.01910	1.1
71.01379	2.4
73.29381	1.0
87.60235	1.2
93.03451	52.2
99.04512	5.9
111.04506	6.5
117.00362	1.0
137.02446	100.0
149.02460	7.7
155.03517	5.8
161.04564	2.3
164.04770	17.0
173.04549	94.2
177.19122	1.1
218.34448	1.1
223.06152	13.9
223.13347	1.3
299.07715	1.3
397.11435	17.4
397.16467	1.4
397.18771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	5-O-sinapoylquinic acid
Peak:m/z	Relative Intensity
58.00864	0.5
59.01384	0.9
64.90321	0.6
67.01888	0.5
69.03434	0.5
76.66578	0.5
77.35529	0.5
81.36037	0.5
85.02963	0.6
87.00888	2.1
93.03445	10.1
97.02941	1.0
109.02922	0.5
111.04460	1.2
115.03984	2.5
136.01714	0.9
136.56602	0.6
137.02440	100.0
149.02431	0.6
164.04823	2.8
168.99626	2.4
173.04570	1.0
191.05624	33.9
223.06119	2.7
246.45485	0.5
274.60391	0.6
299.07687	3.1
310.41302	0.6
366.73770	0.6
397.11383	25.5
397.18768	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78661	0.9
54.22004	0.9
59.01105	1.6
59.01383	32.1
71.01379	17.4
72.45815	1.0
83.01374	1.5
85.02941	4.2
89.02433	19.3
92.02669	1.2
93.03449	20.4
101.02439	16.5
107.04945	1.2
112.00766	1.2
113.02466	12.6
118.26199	1.0
119.03500	6.2
121.02899	1.2
135.04483	1.8
136.01639	12.3
137.02446	100.0
151.04024	7.7
155.03474	1.2
160.48383	1.0
173.04640	1.1
175.03969	1.4
179.03516	73.9
188.87402	1.1
191.03525	1.3
209.04587	13.3
221.04662	1.3
235.04477	1.2
239.05630	42.6
242.50446	1.1
281.06741	1.9
296.62170	1.1
299.07797	5.4
334.50302	1.3
397.11423	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41665	0.5
52.96615	0.7
63.51136	0.6
65.74916	0.8
70.04853	0.6
77.22848	0.7
77.53379	0.7
78.95898	84.3
96.96949	4.8
99.02092	0.7
113.83408	0.7
117.23316	0.8
150.98015	1.3
152.99577	100.0
158.48289	0.8
166.95280	0.7
171.00612	5.0
197.15649	0.7
213.25040	0.8
225.11259	2.9
243.12383	1.5
397.12683	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	42.7
84.68533	0.7
92.23163	1.5
96.96952	4.1
111.00870	1.4
114.54800	0.7
152.99582	100.0
171.00635	3.8
183.42561	0.8
189.36023	0.7
200.10966	0.8
225.11403	1.0
258.30341	0.9
383.62704	0.9
397.12692	51.1
404.25696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58402	0.6
63.11286	0.8
78.95901	81.5
92.23100	1.0
96.96950	6.1
102.73174	0.6
152.99582	100.0
171.00684	3.3
176.05937	0.8
190.73775	0.7
196.46394	0.8
211.46007	0.7
219.42068	0.7
225.11336	3.0
243.12462	1.0
380.13391	0.9
397.12711	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58402	0.6
63.11286	0.8
78.95901	81.5
92.23100	1.0
96.96950	6.1
102.73174	0.6
152.99582	100.0
171.00684	3.3
176.05937	0.8
190.73775	0.7
196.46394	0.8
211.46007	0.7
219.42068	0.7
225.11336	3.0
243.12462	1.0
380.13391	0.9
397.12711	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.2
59.01682	1.5
59.67503	1.0
71.01376	27.6
73.02952	9.2
81.03457	1.7
83.01378	2.6
84.98005	1.1
85.02963	9.1
85.94267	1.1
86.17353	1.2
87.00878	6.1
89.02435	23.6
91.03998	1.2
95.01350	1.3
97.02948	7.1
99.00835	1.5
100.15577	1.1
101.02438	29.7
111.04508	1.4
113.02447	15.8
115.03925	1.2
119.03500	7.1
124.01682	1.3
125.02469	8.8
133.05096	2.1
137.92389	1.3
139.04042	1.6
143.03517	2.9
161.04558	3.0
179.05539	2.4
216.49783	1.5
235.08282	9.5
239.89926	1.4
241.47821	1.2
276.04599	1.2
397.13556	100.0
397.26883	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26614	1.7
59.01379	49.5
62.35305	2.3
68.21819	1.9
71.01377	33.6
73.02937	10.6
83.01384	4.1
85.02930	4.0
87.00876	4.4
89.02437	29.9
95.01414	2.3
97.02950	4.2
97.18271	2.1
101.02412	26.1
110.61503	2.1
111.04494	3.3
113.02436	14.1
119.03485	4.9
125.02416	12.7
143.03531	3.7
153.12848	11.1
161.04677	3.2
179.10779	4.0
194.36006	2.5
199.13411	13.1
229.37796	2.1
235.08203	4.6
255.15996	5.1
267.19763	15.5
273.05536	2.5
291.19662	10.7
293.17468	3.2
307.51950	2.7
310.37482	2.3
311.18689	2.4
379.24780	3.4
397.13550	100.0
397.25974	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83041	0.9
52.99017	0.9
57.52029	0.9
59.01106	2.2
59.01384	48.8
69.03461	1.3
71.01382	32.5
72.35899	1.1
73.02930	7.8
75.00814	0.9
79.78397	1.1
81.97139	1.0
83.01393	2.8
84.14184	1.0
84.47950	1.3
85.02942	8.6
87.00882	6.9
87.26719	1.0
89.02430	28.3
95.01383	2.0
97.02941	6.3
99.00874	1.5
101.02435	29.8
101.22178	1.1
111.04491	2.0
113.02451	15.4
119.03502	6.1
125.02444	11.7
133.05089	1.7
143.03534	4.5
161.04561	2.1
179.05612	2.0
201.47639	1.2
235.08212	12.4
340.43588	1.7
397.13556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00594	1.1
59.01107	2.5
59.01384	49.7
59.39666	1.1
71.01380	32.0
73.02942	6.5
74.77534	1.1
78.95910	2.0
81.03436	1.5
83.01393	3.0
85.02953	7.1
87.00873	5.7
89.02441	30.3
95.01353	2.0
96.95999	5.2
97.02943	8.5
99.00897	2.1
101.02444	30.0
110.75804	1.4
111.04501	1.3
111.19054	1.3
113.02467	12.1
116.05576	1.3
119.03497	6.6
120.33827	1.4
125.02434	7.9
127.03972	1.2
131.07184	1.4
133.05124	1.7
143.03534	2.4
152.99580	3.0
161.04604	6.1
161.47440	1.4
235.08218	11.9
397.13547	100.0
397.22516	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
59.01381	52.0
59.01681	1.8
59.09879	0.9
69.03439	1.1
71.01012	1.5
71.01379	36.3
71.40861	1.0
72.99277	1.4
73.02928	9.9
83.01427	3.9
85.02935	5.2
87.00860	6.4
89.02442	28.8
95.01340	1.6
97.02951	7.5
99.00887	1.4
100.33997	1.1
101.02438	33.3
101.97380	1.1
110.17825	1.0
111.04517	1.4
113.02428	14.3
113.23682	1.1
119.03470	6.6
124.01656	1.5
125.02452	11.6
133.05049	2.1
143.03493	4.4
161.04514	2.6
169.05014	1.3
179.05585	1.5
224.60152	1.2
235.08170	9.4
279.26852	2.3
279.71796	1.2
323.09644	1.7
397.13480	100.0
397.27597	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.2
59.01102	2.9
59.01383	62.4
69.72916	2.1
71.01379	42.9
71.05016	8.1
72.30482	1.7
73.02938	9.0
74.45760	1.9
83.01373	4.9
85.02953	8.8
85.06582	3.0
87.00890	8.1
89.02442	29.3
97.02949	11.1
99.00838	2.6
99.92532	7.0
101.02435	36.2
113.02450	14.5
115.92046	10.4
116.92840	13.3
119.03485	4.1
125.02435	13.4
131.07114	33.7
143.03465	2.7
161.04474	7.3
167.14430	21.6
169.12373	14.0
211.13431	58.4
226.64923	2.3
229.14479	21.5
235.08235	11.6
241.18109	100.0
259.03491	2.1
283.19162	55.2
379.15988	2.2
397.13202	97.1
397.25943	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10074	0.6
71.01380	4.9
73.02952	0.7
78.02327	0.8
85.02934	2.9
101.02443	1.6
109.10937	0.7
113.02438	1.6
119.37101	0.7
122.03714	0.7
135.04520	29.7
135.05507	1.4
136.05309	3.4
147.04532	1.0
148.05342	0.9
159.03038	0.9
161.04527	9.4
164.04820	3.4
173.09727	2.9
183.82841	0.7
189.09326	2.2
190.10002	100.0
191.10791	37.2
203.10812	1.1
215.10706	0.8
218.09476	1.0
233.11819	4.5
245.11946	2.1
309.63028	0.9
318.45407	0.7
353.16013	6.6
397.15097	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88549	0.7
51.25914	0.8
57.03450	0.8
59.01387	4.3
59.51494	0.8
62.54183	0.8
65.29299	1.0
71.01382	24.2
71.72737	0.8
73.02946	7.5
78.95895	14.2
83.01375	1.2
85.02947	11.4
89.92860	0.8
95.01426	1.2
99.00865	3.4
101.02445	14.1
102.12420	0.8
110.85436	0.9
113.02442	9.8
135.04523	26.2
136.05309	1.5
140.70387	0.9
148.05286	4.7
152.99591	16.9
159.02963	1.7
161.04564	18.0
167.10742	1.7
176.08463	5.3
190.10017	11.2
191.10796	100.0
235.09808	1.9
397.12549	9.3
397.15152	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91660	0.6
59.01383	3.7
62.27491	0.6
71.01368	4.1
72.21977	0.7
73.02909	0.8
85.02936	1.0
89.02439	1.8
93.03466	1.2
101.02442	3.9
113.02410	3.0
135.04523	30.0
136.05283	3.5
137.02440	3.4
149.25670	0.8
159.03041	0.9
161.04582	6.4
164.04767	5.0
167.68350	0.8
173.04602	3.3
173.09734	8.5
175.07622	1.5
190.10002	100.0
191.10779	33.4
233.11880	1.6
284.08972	1.9
304.73016	0.8
353.16144	1.2
397.07608	1.4
397.10022	1.1
397.15048	22.0
397.19794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03445	1.0
59.01374	3.5
62.67666	0.6
71.01375	25.6
73.02942	7.6
78.95900	6.2
82.09554	0.7
82.63201	0.7
83.01387	3.6
84.03913	0.7
85.02945	11.3
95.01363	1.5
96.95890	0.6
99.00876	4.2
101.02443	13.6
113.02431	9.2
122.03693	0.7
135.04523	26.8
136.05354	2.7
138.10797	0.7
143.03554	0.8
148.05276	3.7
152.99564	8.2
159.03047	2.5
161.04529	21.2
176.08430	4.2
177.09192	1.0
190.09990	4.8
191.10793	100.0
205.08730	2.8
235.09764	2.9
397.14813	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15618	0.2
59.01343	0.4
71.01384	2.0
73.02914	0.4
78.95904	5.3
83.01284	0.2
85.02915	0.4
89.02377	0.3
90.22925	0.2
95.01379	0.3
96.14479	0.2
96.96922	0.4
97.95684	0.2
99.00827	0.2
101.02449	1.7
113.02396	1.2
122.03676	0.4
123.40337	0.2
135.04526	19.8
136.05302	2.1
139.22861	0.2
148.05275	0.3
152.99593	4.5
159.02966	0.4
161.04564	3.3
164.04796	4.3
175.07672	1.0
180.84776	0.2
189.09293	0.4
190.10011	100.0
191.10800	15.1
205.12280	0.4
215.10931	0.3
218.09340	0.3
233.11847	2.3
245.11917	0.3
245.58237	0.2
284.09100	2.2
353.16098	10.2
358.97183	0.3
380.01956	0.3
382.73312	0.3
391.39185	0.2
397.15363	17.3
411.99219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00979	0.6
55.01880	0.9
59.01380	19.0
71.01375	30.8
73.02934	14.3
83.01381	3.8
85.02939	12.2
89.02437	11.0
99.00869	9.8
101.01768	1.6
101.02438	41.8
113.02448	18.1
141.40532	0.9
159.02953	4.4
161.04541	13.5
265.12936	21.3
397.17169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1871
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.99509	0.8
55.01862	1.0
56.31419	0.7
56.68661	0.9
59.01382	65.5
66.82323	0.9
71.01376	42.3
72.99294	1.1
73.02927	4.0
76.18866	0.8
77.11465	0.8
77.99358	1.0
79.48876	0.8
80.38146	0.9
80.47277	0.8
83.01371	3.9
84.96294	0.8
85.02945	8.8
87.00897	1.5
87.52625	1.0
89.01872	1.4
89.02438	43.5
95.01358	4.3
96.21749	0.9
99.00909	1.0
101.02444	24.7
111.16052	1.0
113.02440	21.5
119.03490	18.2
123.08157	1.2
135.08150	7.9
136.08641	0.9
161.04523	5.4
172.09731	1.3
173.13353	99.1
179.05663	7.2
182.15492	1.1
191.14412	16.0
217.12352	91.0
226.14505	6.8
235.13449	12.1
353.11725	1.6
397.18680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1871
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
52.50518	1.2
58.00596	7.7
59.01379	9.8
71.01366	2.3
75.00896	1.6
78.95771	1.3
82.72049	1.4
85.02947	3.2
87.00879	1.8
87.04501	8.3
107.22180	2.0
113.02442	100.0
176.35878	1.6
221.15471	10.0
223.17114	11.6
247.13513	3.0
251.20137	7.5
265.14423	18.1
273.18665	7.2
281.21283	11.9
291.19693	22.9
309.20798	26.7
311.86627	1.6
325.20422	2.4
353.19727	65.3
397.18610	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2023
Annotation	Condidymic acid
Peak:m/z	Relative Intensity
53.92123	1.0
56.90583	0.8
64.06523	1.0
116.92890	2.2
130.34448	1.0
139.58090	1.1
147.04535	1.3
159.04446	1.1
160.05370	1.2
172.05328	1.9
173.06021	2.2
187.07677	1.9
188.08409	8.3
199.07733	1.7
201.09201	9.1
203.10762	7.2
213.09206	6.4
214.10107	1.2
215.07112	1.6
229.08701	25.3
235.56061	1.1
241.08794	8.8
241.12347	1.0
254.13115	2.2
256.14664	8.3
279.23242	1.5
288.22525	1.0
297.22369	1.2
301.57608	1.0
325.21768	34.5
353.21249	27.0
397.20255	100.0
397.25592	3.6
397.33472	1.7
401.09723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
60.85555	0.3
69.33694	0.4
71.01370	0.6
74.82366	0.5
79.95727	1.8
87.00851	0.5
89.02439	0.7
90.11245	0.4
96.96005	41.9
101.02409	1.0
113.02406	0.5
122.97589	3.2
153.12827	0.6
153.97409	0.4
157.83012	0.4
164.69160	0.5
235.07944	0.5
244.78024	0.5
253.75244	0.4
397.13763	3.9
397.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61159	0.3
53.76143	0.3
53.88819	0.3
58.10095	0.4
59.01381	1.8
71.01379	0.6
73.02905	0.4
78.95893	0.5
79.95746	2.4
89.02414	0.9
96.96000	41.0
101.02418	0.5
122.97583	3.7
135.37714	0.4
150.84718	0.4
154.99922	0.4
176.54138	0.5
377.46661	0.4
397.13809	3.6
397.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64095	0.4
56.59515	0.3
57.88797	0.3
59.01383	0.5
79.95737	1.9
80.96511	0.3
85.84925	0.3
96.96002	39.2
108.26221	0.3
122.97565	3.9
153.12831	0.4
250.29713	0.3
264.16220	0.3
295.22629	0.6
397.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32423	0.4
52.94190	0.4
62.93352	0.5
66.42346	0.3
78.95901	0.5
79.95738	2.1
93.42632	0.4
94.37459	0.4
94.98895	0.4
96.96004	39.4
122.97570	3.2
146.06638	0.4
152.99579	1.9
154.99960	0.5
256.78033	0.4
278.58228	0.5
281.35065	0.5
358.85162	0.4
366.23923	0.5
375.52792	0.6
397.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32423	0.4
52.94190	0.4
62.93352	0.5
66.42346	0.3
78.95901	0.5
79.95738	2.1
93.42632	0.4
94.37459	0.4
94.98895	0.4
96.96004	39.4
122.97570	3.2
146.06638	0.4
152.99579	1.9
154.99960	0.5
256.78033	0.4
278.58228	0.5
281.35065	0.5
358.85162	0.4
366.23923	0.5
375.52792	0.6
397.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80137	0.4
79.95734	2.5
81.12416	0.4
89.62920	0.4
94.98111	0.5
96.96010	40.4
122.97623	3.3
185.37474	0.4
213.29227	0.4
231.85516	0.4
373.67786	0.5
397.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72776	0.4
53.29545	0.4
59.01375	0.5
66.22184	0.5
77.55427	0.5
78.95882	0.7
79.95731	2.2
96.96001	43.3
111.68700	0.5
122.97579	2.6
152.99573	1.1
155.00009	0.7
215.12946	0.5
231.70764	0.6
289.86469	0.5
315.25412	0.6
397.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75697	1.7
58.02975	4.4
59.01383	100.0
73.85808	2.1
76.59196	1.9
288.43307	2.4
310.38022	2.3
337.21396	56.6
338.13306	2.2
354.79962	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83370	23.7
58.14781	22.3
66.94188	20.5
71.03387	21.1
83.63897	22.1
92.23081	53.3
96.95975	27.1
107.51015	23.5
161.51031	26.1
212.90140	31.4
247.73569	28.0
254.14822	27.8
293.08148	40.8
300.35880	26.8
386.17377	26.3
397.12595	100.0
397.22253	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49817	1.3
51.30555	1.2
71.05016	8.6
85.06593	3.7
93.01986	1.4
94.48072	1.5
98.02698	1.2
99.92573	2.5
100.93391	2.3
115.92049	1.5
116.92850	6.6
127.11263	7.4
131.07129	36.0
167.14452	22.2
169.12349	65.2
183.13899	13.8
199.13486	2.0
211.13406	67.9
213.05566	1.5
227.12875	6.4
229.14420	17.8
241.18105	100.0
245.13968	9.2
283.19177	60.1
295.18323	2.5
397.25955	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2601
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
59.01383	100.0
59.20660	1.1
64.50697	1.1
76.68487	1.1
173.04585	1.7
256.33673	1.3
300.05579	1.5
309.36740	1.3
367.50784	1.4
397.18591	2.4
397.26691	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75981	7.1
51.45829	6.6
54.78362	7.7
59.01389	10.0
63.62163	8.4
92.23109	13.0
101.30032	8.6
110.38050	9.4
111.04516	10.0
118.77243	9.3
140.72267	9.3
141.09250	15.0
152.99536	14.5
153.12872	62.7
179.10805	40.2
199.13380	100.0
220.31920	9.1
251.92622	9.9
255.15993	42.5
267.19690	89.6
293.17505	11.0
311.18750	56.8
311.22202	12.4
338.66415	10.1
374.41852	9.5
379.25113	18.0
397.26193	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73147	0.6
59.01384	1.0
71.01377	0.9
71.05014	5.1
72.99294	1.1
73.61552	0.7
74.22475	0.8
99.92577	4.3
100.93341	1.6
109.35052	1.0
115.92061	3.5
116.92857	7.9
127.11261	9.1
131.07127	4.2
157.34964	0.7
165.12851	4.0
167.14398	3.0
169.12343	100.0
183.13922	20.0
199.13379	4.4
211.13388	8.6
216.13327	1.0
227.12938	9.6
229.14403	3.8
241.18112	14.1
245.13962	16.3
279.23248	1.3
283.19095	9.4
295.17862	1.0
337.23926	1.5
397.17651	8.5
397.25949	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52804	1.1
59.01394	2.8
67.35776	1.1
71.05035	10.7
82.93939	1.5
87.91465	1.4
127.11270	6.0
131.07147	6.2
157.88289	1.4
165.56689	1.6
167.14407	15.3
169.12344	100.0
183.13911	13.5
211.13416	32.0
227.12907	8.9
227.16501	1.8
229.14424	17.6
235.04645	2.0
241.18100	70.9
245.13947	3.4
283.19186	30.4
299.22302	8.2
325.20108	5.5
335.25153	2.4
397.20840	2.6
397.25974	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2597
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
52.77856	2.1
59.01376	10.1
59.61734	2.0
61.27900	2.0
67.30346	2.6
72.75517	2.4
78.95916	4.8
85.49039	2.3
85.98244	2.8
97.06614	3.3
107.43002	2.5
111.04529	14.7
115.07626	2.8
115.92005	4.2
116.91982	2.9
140.04788	12.4
141.05594	4.6
141.09209	14.1
151.11299	3.3
152.99590	4.2
153.12843	58.0
158.80054	2.5
179.10762	25.4
181.12285	3.7
197.11829	15.0
199.13420	99.2
215.12856	4.7
229.14413	21.6
237.14967	4.8
249.18733	3.0
255.16037	50.5
263.16516	4.6
265.17935	3.1
267.19653	95.2
275.16684	3.7
277.18030	4.7
281.17511	4.5
293.17548	21.4
311.18610	46.7
361.23932	3.3
379.24893	27.2
397.26001	100.0
416.91827	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13261	0.4
53.37686	0.5
56.82458	0.5
59.01380	2.4
74.46648	0.5
97.02960	0.5
111.00840	0.8
111.36452	0.6
117.01903	2.5
135.02995	0.7
229.08751	0.8
241.08664	1.0
255.13873	1.1
272.37735	0.6
279.23303	100.0
284.14206	5.6
295.33746	0.6
353.21222	11.7
397.20746	1.4
397.25961	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75896	1.7
61.70433	1.7
69.11123	1.9
78.51479	1.9
83.05077	2.4
85.02814	2.2
97.06600	2.0
102.26241	1.9
111.04517	18.4
115.07610	4.0
140.04741	9.0
141.05556	3.7
141.09215	21.8
153.12859	61.0
167.14406	2.7
179.10782	35.1
181.12358	11.2
195.10287	2.1
197.11864	19.6
199.13409	96.9
200.84399	2.1
215.12886	7.3
223.20724	2.2
227.12944	2.9
229.14490	17.3
234.55087	2.5
237.15060	7.0
249.18553	4.3
249.58328	2.0
255.16037	54.8
263.16467	3.4
267.19693	95.4
275.16577	9.9
277.18085	4.7
281.17694	3.7
283.19119	3.0
293.17694	16.7
311.18695	47.6
335.26907	2.1
379.24973	28.0
397.26007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35580	1.9
65.72375	1.8
77.63655	1.9
90.26358	2.1
93.66992	2.8
100.81165	2.1
101.06081	68.4
106.79404	2.6
109.93414	2.1
118.93299	2.4
120.13631	2.4
127.03992	3.6
141.09175	3.2
167.14458	3.8
205.90273	2.8
211.13397	3.4
229.14433	12.7
251.20161	35.4
255.15977	17.0
267.19904	2.9
269.21188	17.4
277.18127	21.8
277.20932	2.4
295.19174	100.0
313.20215	52.3
335.26135	3.8
335.41367	2.2
353.27011	5.5
397.14105	5.7
397.26157	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26888	0.4
59.01366	0.8
135.03038	0.6
153.21681	0.6
194.36348	0.5
199.02228	0.6
249.56157	0.5
251.20123	0.7
279.23315	100.0
397.25766	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48594	0.5
66.58031	0.6
71.01381	56.1
100.93331	1.1
115.00374	14.6
115.92067	1.0
130.18988	0.6
160.36099	0.7
210.31403	0.7
273.81564	0.7
279.23279	0.9
281.24899	100.0
299.93042	0.7
386.35260	0.7
397.25836	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.26
Annotation	ent-19-Acetoxy-14,15,16-trihydroxymanoyl oxide
Peak:m/z	Relative Intensity
52.86845	0.6
59.01383	100.0
77.80807	0.7
84.53406	0.7
101.62109	0.7
138.95999	0.6
141.56946	0.7
145.25558	0.6
203.15207	0.6
251.57410	0.7
316.51141	0.7
397.26501	3.0
416.82022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08727	0.9
57.03444	1.9
79.00487	0.9
97.06570	6.7
101.38319	0.9
123.08191	1.6
125.09706	73.2
139.11327	8.7
142.12355	1.6
168.10271	1.1
169.08728	1.2
183.10188	1.5
186.11354	65.7
195.15068	4.0
199.41838	1.0
200.12917	8.7
200.22984	0.9
209.16586	24.0
227.17772	5.3
323.18558	1.2
397.27078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.80021	0.8
75.86703	0.7
79.88657	0.8
96.97681	0.7
102.05589	3.1
114.57165	0.7
139.55537	0.7
170.11823	0.8
212.16617	1.1
219.26865	0.8
291.24405	1.5
301.23062	1.3
319.23984	2.9
337.24976	36.6
341.07962	0.9
360.85056	0.8
392.87979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
62.01096	0.5
67.32845	0.5
73.02935	0.9
90.32036	0.5
90.80695	0.5
107.27779	0.5
126.66399	0.5
134.71924	0.6
268.86920	0.5
271.50714	0.6
277.21747	100.0
281.24963	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22495	1.3
78.46768	1.4
90.08652	1.3
94.35987	1.4
94.92777	1.5
95.16331	1.4
96.46076	1.5
196.90735	1.6
215.18736	1.7
242.06432	1.6
279.23151	1.6
281.24866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39516	0.4
59.01371	1.1
61.47510	0.4
91.01149	0.4
100.80724	0.5
109.22131	0.4
120.37813	0.5
126.80606	0.5
127.67188	0.5
146.21252	0.5
205.60342	0.6
220.85266	0.5
279.23264	1.1
281.24890	100.0
397.13544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94376	1.0
54.45902	1.0
58.02978	8.5
61.70786	1.3
70.02979	19.3
71.01378	40.8
71.02529	1.4
72.94309	1.3
83.56002	1.3
84.31989	1.2
96.00904	21.7
113.03538	11.2
114.01959	34.0
115.00361	9.0
131.04619	19.0
225.22263	1.7
235.26007	1.4
279.23407	1.6
279.43063	1.6
281.24875	65.1
282.28055	41.8
308.29541	6.0
333.31653	16.7
379.29666	39.7
397.30914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59540	0.6
58.02981	1.2
68.30636	0.7
70.02984	3.4
71.01379	23.5
87.05625	0.8
96.00922	4.2
97.15000	0.8
113.03587	0.9
114.01948	4.6
115.00364	5.3
122.26085	0.7
127.11276	0.8
131.04623	3.1
152.70163	0.8
177.78973	0.7
223.20729	1.8
225.22165	5.4
239.23889	3.1
279.23325	4.5
280.23642	3.4
281.24893	43.0
282.28012	7.3
333.31674	35.5
379.29703	4.9
397.33545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3325
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
64.80670	1.2
65.90096	1.2
70.99752	1.1
71.01376	6.5
72.72763	1.3
115.00376	1.9
141.12842	2.5
209.19128	6.3
225.18625	11.4
234.49570	1.3
281.24921	6.7
304.07941	1.5
333.31744	9.1
349.31400	2.4
351.32520	2.7
397.33264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3327
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
51.61444	2.1
52.61607	2.7
57.14942	2.7
73.12248	2.9
85.30283	3.7
86.21385	3.2
96.30133	3.1
133.45457	3.1
154.14238	3.2
196.10916	2.9
217.99263	3.3
236.52470	2.9
308.76526	3.0
335.33200	87.6
335.37219	3.7
379.32166	26.3
397.33270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0884
Annotation	Prolinalin B
Peak:m/z	Relative Intensity
53.17437	0.5
56.26575	0.4
57.94615	0.4
59.82253	0.5
79.64159	0.6
89.38940	0.5
112.15880	0.5
117.03462	18.0
135.04477	0.7
147.04552	0.7
162.01950	2.3
163.02774	0.8
189.95561	0.6
190.01479	4.1
191.02248	39.9
191.03613	8.8
206.04597	100.0
383.06573	2.4
398.08807	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.7
63.10845	1.6
63.98797	1.8
64.58465	1.8
64.93878	1.9
85.82281	1.6
101.07999	1.9
116.96282	1.8
167.10704	2.2
177.00647	3.1
193.15306	2.2
204.02943	2.8
249.91725	2.1
267.03055	9.3
279.03033	18.3
281.04547	2.7
282.05362	10.0
294.01682	8.2
295.02499	57.3
297.04520	2.1
297.07788	10.9
307.02585	4.3
309.04013	9.2
310.04877	24.5
323.02005	100.0
325.07211	21.0
333.40277	2.1
337.03497	14.6
338.04315	45.6
352.08102	3.2
353.06741	86.5
368.04111	2.4
383.06625	12.9
398.08878	88.4
398.13806	4.3
398.22864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0884
Annotation	Prolinalin B
Peak:m/z	Relative Intensity
64.44798	2.9
68.99460	3.6
86.67393	3.0
105.03465	4.7
107.04978	3.8
121.02952	24.0
123.04535	6.1
140.86641	3.1
148.04002	3.4
161.02440	6.7
162.01973	18.4
163.00368	82.1
175.02730	7.2
176.03482	5.5
177.04256	5.5
178.02676	6.1
190.01466	57.0
192.03050	4.3
192.06674	19.0
204.03017	18.1
234.04095	3.5
269.04477	4.1
273.72977	3.3
281.04843	3.5
283.84055	3.2
297.04559	3.3
297.07874	4.0
314.87433	3.3
317.49582	3.1
322.03665	13.0
324.05121	4.3
327.08899	7.1
354.09958	11.9
360.44260	3.2
368.04004	4.9
380.07712	73.8
398.08780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80669	2.0
59.19925	2.1
64.25329	2.2
105.03446	6.1
107.05024	3.4
108.02141	3.2
113.34949	2.5
114.02899	2.4
121.02958	22.0
122.89658	2.6
123.00809	3.6
123.04510	12.3
133.02960	4.2
136.01700	3.0
146.02556	5.9
161.02425	12.5
162.02000	18.6
163.00366	84.1
164.45999	2.7
166.61481	2.4
166.99892	4.0
168.09319	2.8
175.02751	12.8
176.03487	13.4
177.04256	6.3
178.02707	13.3
178.05090	3.3
192.03032	2.7
192.06647	22.8
204.03020	28.2
205.01492	5.2
206.04634	5.7
220.02594	4.2
267.02890	3.4
268.03876	3.0
269.04568	9.6
281.04660	3.9
281.66653	3.0
297.04175	3.6
298.08655	2.9
308.05713	10.9
308.35834	3.2
322.03711	11.6
324.04901	3.3
325.03506	4.9
327.08859	5.9
350.03140	5.9
352.08350	4.9
354.09811	13.7
355.08273	4.0
368.04019	4.8
380.07779	94.3
383.06619	5.4
398.08841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87663	3.4
57.09200	4.0
61.59040	3.8
72.71561	4.3
74.33194	4.1
94.98060	4.5
95.45955	4.7
119.05022	26.3
123.21470	4.6
142.03006	5.1
147.00859	5.4
160.04102	5.8
164.04761	29.0
179.07132	69.5
233.04765	64.5
234.05550	6.6
246.05595	5.1
247.06345	7.5
248.03636	53.2
248.07185	17.9
250.05092	9.2
262.05051	42.9
263.05881	35.2
276.02960	9.7
277.03723	23.0
278.04590	38.0
278.08170	43.3
280.06168	18.8
290.04666	11.0
291.05515	9.3
292.06171	35.7
293.07101	6.0
294.03903	5.4
305.03329	20.1
306.04108	85.7
306.07758	57.6
308.09235	10.3
320.05679	57.0
321.06366	29.6
324.08777	8.9
335.08057	43.6
336.08795	100.0
354.09720	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.2
71.01375	14.0
72.73993	1.1
72.99274	1.0
73.02921	2.0
76.11992	0.9
77.85768	1.0
85.02908	1.8
87.00867	39.1
89.02433	9.4
92.05050	4.7
99.00870	1.3
101.02444	9.2
106.75104	1.0
113.02426	5.7
118.01452	5.6
128.05052	1.2
130.06616	7.9
144.04568	7.3
146.02454	10.4
146.06113	8.2
148.04054	31.0
156.04553	10.4
172.04106	5.0
173.04822	2.5
174.05602	25.3
183.70303	1.1
190.05118	1.3
200.03598	3.8
218.04594	1.5
249.06143	9.5
398.10931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86288	0.9
56.55415	1.0
59.01108	1.4
59.01384	16.7
63.09960	0.9
69.06675	1.1
71.01374	17.3
72.99302	1.1
73.02937	1.6
74.00674	2.2
85.02946	4.6
87.00870	36.7
88.30444	1.1
89.02453	9.4
92.05044	2.5
93.76981	0.9
97.52595	1.2
98.87986	1.0
101.02441	11.9
101.04320	1.7
113.02424	5.5
119.03473	4.4
120.04561	1.2
128.05106	1.3
130.06628	8.1
144.04546	6.6
146.02469	8.4
146.06140	4.6
148.04048	21.0
149.06436	2.5
156.04529	8.6
164.07164	5.9
172.04044	2.6
173.04770	4.4
174.05611	27.7
200.03543	2.2
207.76486	1.2
218.04556	2.3
236.09534	5.6
249.06111	8.6
279.10828	7.8
308.11850	1.5
337.09201	1.2
398.10922	100.0
415.27170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25929	2.9
59.01382	43.2
66.45062	3.3
71.01376	18.0
78.25686	3.6
83.05032	4.5
85.02909	3.9
89.02421	27.2
101.02442	9.6
113.02428	6.6
118.01465	100.0
119.03479	8.8
127.04000	16.9
128.04330	5.5
155.03477	24.7
156.03848	7.4
163.61421	3.8
179.77782	4.0
199.02467	5.8
212.89131	4.4
217.03569	8.8
218.03873	8.3
235.04579	19.2
236.04982	6.6
279.10849	83.3
380.16510	3.9
397.62164	4.9
417.55460	5.0
420.18732	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2341
Annotation	Aspochalasin A
Peak:m/z	Relative Intensity
56.83220	0.8
68.99826	1.4
72.12522	0.7
81.02206	3.7
81.87357	0.7
81.99333	1.3
82.02974	0.8
88.04025	1.7
96.00900	0.8
97.10302	0.7
98.02489	1.8
99.37539	0.8
123.07629	0.8
138.05624	5.9
148.07664	1.4
170.10056	0.9
229.16019	12.6
268.17032	1.4
324.23413	7.9
337.05270	0.8
340.22958	3.7
350.21323	1.9
368.22345	56.6
373.55777	1.0
398.23401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98416	1.2
59.01384	63.9
72.54855	1.2
78.02472	1.0
83.50224	1.1
106.96675	1.1
112.07684	6.4
130.08745	6.5
166.84584	1.2
191.08376	1.4
207.15030	2.2
224.17693	5.7
225.16080	5.0
320.23438	10.5
338.24533	100.0
398.26593	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90596	1.1
52.90956	1.1
55.47326	1.2
59.01384	68.3
65.74454	1.1
79.01095	1.4
79.45113	1.1
98.55820	1.4
112.07683	6.5
130.08743	5.9
132.14613	1.5
132.24263	1.2
136.65707	1.3
138.01399	1.3
140.42476	1.4
152.43016	1.7
189.31354	1.2
207.15076	3.1
224.17686	5.2
225.16100	8.3
234.06718	1.5
239.99634	1.6
320.23511	11.3
338.24524	100.0
346.71188	1.4
398.26462	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33003	1.2
58.13736	1.1
59.01382	100.0
59.73640	1.3
83.15784	1.2
105.10358	1.5
123.28928	1.3
125.69949	1.4
174.80363	1.3
186.15279	1.3
199.13435	1.6
256.16531	1.4
268.20026	2.6
320.26120	5.1
338.26889	4.7
378.27643	1.6
380.25354	1.5
398.26303	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40326	1.3
59.01382	100.0
81.54187	1.6
84.23103	1.5
92.23074	2.4
172.12715	1.6
182.09029	1.6
186.95560	2.2
233.22763	1.8
255.76457	1.8
313.65326	1.6
320.25885	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75748	1.9
59.01384	100.0
59.67635	2.3
61.98840	4.7
74.22298	2.5
80.05087	2.4
92.40820	2.9
105.68285	2.5
115.18205	2.7
123.90258	2.5
338.27142	13.4
368.53906	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84793	1.2
59.01378	100.0
61.98807	1.3
86.99767	1.3
121.08253	1.2
136.29605	1.3
214.14598	2.0
269.33408	1.3
283.54211	1.4
320.25912	5.9
338.26788	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92747	0.8
54.33717	0.9
71.01372	8.4
75.24673	1.2
83.78796	0.9
88.04036	65.2
91.48576	0.9
96.99302	5.4
114.01944	1.5
115.00379	15.0
118.58813	0.9
132.03041	3.2
232.12018	1.0
282.28049	48.5
283.26413	24.3
308.30164	1.0
326.27142	1.3
354.30197	8.2
398.29141	100.0
398.33423	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12449	0.5
58.02983	10.7
60.42158	0.6
66.02724	0.6
67.99597	0.5
70.03031	0.5
101.20948	0.6
106.04227	2.1
119.05003	1.1
224.78658	0.5
278.24911	5.9
356.11346	0.6
398.30682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98787	1.7
55.32170	1.7
57.03442	12.8
59.01379	2.4
67.43658	1.7
71.01384	2.2
75.00903	2.3
76.98397	1.8
78.25334	1.9
83.01383	4.4
85.02940	65.9
85.03426	4.1
85.84920	2.0
101.02438	2.3
111.00855	19.2
112.03054	1.9
129.01910	24.2
134.03732	9.3
145.06129	2.3
165.05139	2.8
176.01149	45.7
191.03523	100.0
205.03470	22.8
221.00937	2.6
223.04626	13.7
247.58154	2.1
279.24466	2.1
305.68381	2.1
339.46448	2.0
399.09216	10.0
399.13577	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68030	0.7
54.29641	0.8
56.44950	0.9
58.25893	0.9
59.01385	24.9
62.78169	0.9
64.66607	0.8
69.66962	1.0
71.01371	1.4
72.99306	54.7
74.02446	1.2
74.99090	2.0
75.00851	1.4
75.91815	0.9
76.98691	1.0
78.95912	4.8
83.05026	0.9
85.02910	1.6
87.00863	5.2
89.02448	1.3
95.05003	1.1
96.96956	10.9
103.01294	1.0
107.05002	1.1
113.06065	1.0
116.03559	1.3
123.04507	25.9
129.01942	1.4
135.04514	28.9
157.05043	33.1
179.03513	51.5
191.05679	1.1
197.04573	100.0
284.48608	1.2
294.73227	1.3
399.10785	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40953	1.4
54.48039	1.6
57.03442	21.0
58.08905	1.6
59.01384	4.8
71.01374	4.1
72.99309	2.1
73.02965	2.4
76.13827	2.1
78.95905	16.5
83.01395	4.9
85.02943	100.0
101.02429	7.1
111.00868	28.8
129.01935	34.7
134.03716	10.1
141.92883	2.0
152.99554	2.1
171.00613	11.3
177.05539	4.4
185.04950	2.2
193.05095	10.7
205.03490	31.8
223.04643	17.2
398.15137	2.3
399.04550	3.8
399.09045	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
50.85415	0.7
60.66788	0.9
71.01360	1.7
75.37849	0.8
80.96508	5.0
83.56746	0.9
85.97289	0.9
90.56521	1.1
121.06442	0.9
149.06082	74.3
191.82625	0.9
193.05067	100.0
314.15933	1.0
355.10190	1.5
399.09286	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85415	0.7
60.66788	0.9
71.01360	1.7
75.37849	0.8
80.96508	5.0
83.56746	0.9
85.97289	0.9
90.56521	1.1
121.06442	0.9
149.06082	74.3
191.82625	0.9
193.05067	100.0
314.15933	1.0
355.10190	1.5
399.09286	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
53.81790	0.9
58.74279	0.8
62.41816	0.9
86.70419	1.1
92.23093	2.0
205.98566	23.0
221.00926	100.0
236.03253	33.8
388.30850	1.4
399.09311	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66931	0.5
54.68150	0.5
58.90786	0.5
73.44301	0.6
83.64719	0.6
100.29573	0.5
190.31602	0.6
205.98578	23.7
210.76848	0.6
217.51593	0.6
221.00932	100.0
223.05983	1.0
235.02446	1.0
235.06094	1.3
236.03282	39.1
237.04059	0.8
399.09384	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94335	0.5
55.01873	1.4
57.03450	18.9
59.01381	1.3
67.01903	0.9
71.01363	5.1
73.02953	2.5
73.83387	0.7
75.00857	0.8
77.36106	0.6
77.54026	0.6
82.55966	0.6
83.01384	9.1
84.02180	1.2
85.02946	100.0
93.03452	1.4
101.02449	5.9
111.00871	29.9
117.03446	0.9
129.01942	37.0
132.92561	0.6
134.03735	13.6
137.02458	5.8
138.02812	3.0
139.02933	1.3
149.06100	0.9
161.04535	3.1
164.04871	0.8
175.00377	1.2
178.02737	1.4
187.02437	2.8
190.02716	6.8
193.05058	11.3
205.03525	26.3
205.05127	8.6
223.04585	18.2
225.64560	0.6
247.25990	0.6
252.15222	0.8
347.01968	0.7
369.08319	1.0
384.76126	0.7
399.08203	5.9
399.13599	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
57.03448	25.7
59.01377	12.7
59.99858	2.0
69.50581	2.2
71.01372	6.1
72.99290	2.9
83.01395	10.1
85.02949	100.0
99.00949	2.6
111.00880	29.7
113.02410	2.4
129.01936	35.4
134.03737	31.5
137.02464	2.8
149.02428	4.2
149.06030	3.2
162.61589	2.2
164.04828	9.6
169.12500	2.6
177.05594	3.1
190.02774	13.6
191.05605	3.3
193.05077	31.1
205.03522	33.8
205.05168	11.0
223.04538	21.6
320.96533	3.0
324.01181	2.5
367.10605	3.6
399.09143	12.0
399.13245	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78171	2.6
55.01883	5.2
57.03447	13.5
59.01379	47.9
71.01377	34.7
72.99281	6.0
75.00883	4.3
75.13407	3.1
78.95903	23.2
83.01385	52.7
85.02946	100.0
89.02435	15.7
99.00874	4.0
101.02354	3.8
111.00893	33.6
113.02445	7.6
115.00339	7.2
117.03446	6.6
127.03671	2.8
129.01941	40.1
134.03757	93.7
143.03471	18.7
147.02911	3.0
149.06070	15.7
152.11668	3.5
152.99539	3.8
154.99936	3.2
162.09045	3.5
171.00668	21.1
173.00932	38.1
175.04018	17.5
177.05669	6.1
177.09218	3.9
178.02705	6.7
185.73587	3.6
191.02057	23.4
193.05069	89.4
205.03590	5.3
218.05876	3.8
223.04572	26.8
242.74457	3.4
257.29648	3.1
259.08545	4.3
261.07663	6.6
265.17111	3.5
328.25012	3.5
349.05725	14.2
360.20401	3.7
367.06754	31.9
374.21359	3.7
381.15079	4.6
399.04657	17.2
399.09219	13.8
399.20294	4.7
422.61090	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34777	1.6
55.01872	2.0
57.03449	7.7
59.01392	20.7
68.01086	1.8
71.01378	32.5
72.99308	8.0
73.02959	2.3
75.00883	2.5
76.33696	1.9
83.01400	20.5
85.02945	100.0
87.00874	2.1
89.02425	10.8
99.00879	9.2
111.00870	13.1
113.02435	2.6
115.00366	9.9
117.03453	2.6
129.01952	19.3
133.01376	3.6
134.03745	72.9
143.03519	9.7
147.03014	8.1
149.06056	13.8
162.03343	2.4
173.00903	12.8
175.03999	15.5
178.02715	2.9
183.31422	1.9
191.01996	31.0
193.05060	86.6
205.03456	2.8
223.04581	34.5
261.07651	2.7
313.41544	2.2
323.07703	4.0
345.60718	1.9
347.92169	1.9
367.06616	21.0
392.06506	2.2
399.09033	24.6
399.16562	2.3
408.30328	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94335	0.5
55.01873	1.4
57.03450	18.9
59.01381	1.3
67.01903	0.9
71.01363	5.1
73.02953	2.5
73.83387	0.7
75.00857	0.8
77.36106	0.6
77.54026	0.6
82.55966	0.6
83.01384	9.1
84.02180	1.2
85.02946	100.0
93.03452	1.4
101.02449	5.9
111.00871	29.9
117.03446	0.9
129.01942	37.0
132.92561	0.6
134.03735	13.6
137.02458	5.8
138.02812	3.0
139.02933	1.3
149.06100	0.9
161.04535	3.1
164.04871	0.8
175.00377	1.2
178.02737	1.4
187.02437	2.8
190.02716	6.8
193.05058	11.3
205.03525	26.3
205.05127	8.6
223.04585	18.2
225.64560	0.6
247.25990	0.6
252.15222	0.8
347.01968	0.7
369.08319	1.0
384.76126	0.7
399.08203	5.9
399.13599	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1242
Annotation	Lophirone J
Peak:m/z	Relative Intensity
56.60794	0.5
61.36936	0.6
62.40644	0.6
118.56364	0.6
138.17413	0.6
141.55611	0.6
171.04526	2.9
183.08147	1.3
193.52438	0.7
199.07700	1.4
199.50331	0.7
207.08156	1.1
215.45963	0.7
223.07742	1.1
227.07166	0.9
235.30415	0.7
251.07149	2.3
252.08047	0.8
253.05042	4.2
255.16025	2.9
257.17654	4.1
267.06689	3.4
269.08322	3.0
280.03769	4.8
280.06955	1.0
295.06116	12.6
321.07700	1.2
329.11957	0.9
341.41821	0.7
343.13492	0.7
355.13391	1.1
355.22900	1.2
357.11380	21.4
371.12967	14.4
384.10272	2.5
399.12427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1301
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
62.07554	0.7
65.00339	1.2
78.95893	0.7
83.23154	0.7
93.61996	0.6
123.00832	0.8
133.06592	9.7
149.09723	4.3
151.07608	1.1
166.02731	0.9
173.09782	0.7
175.07617	1.1
189.09192	1.5
190.95320	0.9
192.00737	6.5
193.08698	8.5
205.08694	1.3
207.02866	0.8
217.08655	10.4
219.06641	32.7
222.01871	2.2
223.09647	1.3
231.06561	11.5
233.08205	11.6
235.09708	1.5
237.07669	17.2
237.10025	1.1
247.09673	0.8
249.07524	2.6
261.07687	100.0
273.07675	1.2
279.08752	91.8
291.08795	25.6
309.09824	19.6
381.11880	4.3
399.12982	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1301
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
55.79673	2.0
57.14345	1.6
59.01379	13.1
71.01363	3.6
71.08509	1.5
85.02924	1.7
88.43737	2.0
89.02432	7.1
93.03441	16.1
95.22280	1.5
101.02422	6.7
111.04507	2.9
113.02443	3.4
119.03506	1.8
127.04021	3.8
136.01649	3.4
136.33336	1.9
137.02444	100.0
137.03496	3.3
149.02373	1.7
151.04022	3.9
155.03502	2.0
175.04001	3.2
179.03506	73.2
191.05600	2.1
209.04536	8.5
213.93178	1.5
217.03413	3.2
236.97090	1.7
239.05620	53.7
299.07690	10.4
399.13034	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50532	0.5
59.01381	16.7
63.80646	0.6
68.50002	0.8
74.42633	0.6
90.39151	0.9
98.39248	0.6
162.03230	54.9
166.72128	0.7
177.05574	100.0
205.98563	1.0
221.00948	1.4
369.04895	1.1
376.63831	0.7
399.09204	1.6
407.22333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52604	1.4
59.01376	2.0
60.92385	1.2
63.53036	1.1
63.84516	1.2
71.01381	23.1
73.02938	7.6
85.02950	10.3
91.57162	1.3
95.01390	2.3
99.00867	2.0
101.02427	11.6
101.33154	1.4
109.80616	1.3
113.02455	9.6
115.03993	6.2
120.88639	1.5
121.02942	1.7
123.00881	100.0
124.01654	36.8
126.16430	1.5
137.02444	2.1
138.03235	78.1
139.04019	52.3
143.03481	1.6
149.02483	1.9
159.02963	2.8
161.04558	40.9
161.05809	2.3
166.02821	1.5
178.02786	1.7
301.09381	7.4
350.32227	1.4
351.85129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1303
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
51.52654	0.5
59.01384	2.7
61.25130	0.6
62.32384	0.5
71.01362	4.1
73.02945	1.0
83.01420	1.0
85.02962	1.4
85.29601	0.6
92.23115	0.6
99.00906	0.8
101.02452	6.8
113.02448	3.2
130.02644	0.6
132.02196	2.1
133.02937	2.7
134.03754	10.6
149.06090	1.3
160.01669	47.1
161.02495	1.0
161.04436	0.8
175.04013	100.0
175.70845	0.5
177.02115	0.6
179.03508	1.2
185.51738	0.6
193.05037	10.2
223.08363	0.6
384.10770	0.9
399.13046	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96580	1.1
51.73526	1.1
58.01874	1.4
59.01375	2.7
71.01380	28.5
73.02939	8.9
78.80820	1.5
83.01355	3.0
85.02934	12.9
95.01397	3.3
97.02918	2.3
99.00903	1.9
101.02428	19.0
109.98990	1.4
113.02454	15.4
115.04006	6.9
121.02869	1.9
123.00872	100.0
124.01651	44.2
126.93927	1.7
132.13419	1.6
138.03218	82.6
139.04004	65.7
143.03473	1.7
159.02974	3.2
161.04549	52.8
178.82185	1.7
181.05084	1.7
270.91385	1.6
301.09262	3.5
321.46140	1.5
354.45673	1.5
399.13101	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1564
Annotation	G 324E
Peak:m/z	Relative Intensity
56.36632	0.3
59.01384	0.5
66.60863	0.5
75.00867	1.7
78.95914	0.4
85.02950	0.6
113.02441	100.0
123.03252	1.7
134.06117	1.0
138.05609	33.5
158.06114	2.7
160.07677	15.4
174.09241	15.2
176.07167	0.5
186.05595	0.5
187.06401	2.4
188.10851	1.6
191.24072	0.5
196.06105	0.6
200.07227	0.8
202.08754	86.5
204.06711	0.9
204.10349	1.1
216.10364	0.9
232.09770	0.6
244.47809	0.4
245.06946	1.7
260.09293	20.3
285.12576	1.7
297.16162	0.6
308.11865	0.5
311.22214	0.5
323.14023	5.3
324.12491	2.1
398.79620	0.4
399.10858	0.7
399.15347	3.5
399.23904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15982	0.7
55.01873	1.2
57.03444	1.1
58.78547	0.7
59.01094	1.6
59.01381	26.7
60.23171	0.8
71.01373	18.3
73.02932	8.2
74.10428	0.8
75.88603	0.9
77.06425	1.0
83.01368	7.7
85.02937	15.3
86.00079	1.2
87.00847	1.5
89.02422	4.9
97.74866	0.8
99.00871	2.0
101.02438	21.2
113.02444	8.2
117.94938	0.9
119.03540	2.1
123.04581	1.4
140.23325	0.9
140.36877	1.0
146.55388	0.9
149.09674	1.6
167.27280	1.0
204.73143	0.9
210.02428	0.9
235.64056	0.9
237.11301	2.2
258.07712	1.0
355.17795	1.2
398.31232	0.9
399.16599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67083	3.0
57.03448	5.2
59.01383	33.5
71.01380	23.8
73.02932	5.6
78.95898	54.0
81.43982	2.9
83.01382	4.3
85.02951	20.7
89.02439	5.5
91.25404	3.3
101.02448	19.9
113.02447	12.7
123.08151	75.1
129.09258	3.2
141.16840	3.6
152.99564	5.6
171.00676	38.6
171.01913	5.4
177.09138	6.2
178.09969	37.6
193.12440	13.5
219.10233	22.4
221.52608	4.6
223.21690	3.6
237.11337	99.4
399.04755	23.4
399.16623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1817
Annotation	Deoxygomisin A
Peak:m/z	Relative Intensity
57.01392	0.8
59.01372	1.5
68.40299	1.0
85.02931	0.9
99.71529	1.0
115.07629	21.7
123.04516	6.1
133.56447	0.9
148.05287	6.0
151.03999	19.5
164.04788	4.8
173.06073	1.6
177.01872	1.9
180.18906	1.1
192.04366	1.2
201.11394	1.1
224.08476	1.6
237.09221	1.6
239.10793	13.5
245.08176	2.1
255.10292	83.8
265.08807	1.6
283.09787	72.9
399.18170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48537	0.6
51.43124	0.6
55.02974	0.6
59.01373	0.8
72.03205	0.8
84.93864	1.4
86.18343	0.7
99.92581	12.0
100.93355	14.2
115.92056	15.5
116.92850	100.0
118.53065	0.7
140.92874	0.9
154.42793	0.7
158.93875	3.5
205.80771	0.7
296.94815	0.7
337.18475	4.2
369.17529	6.3
399.18481	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00822	0.2
55.20553	0.2
59.01382	0.4
63.96231	0.2
73.34967	0.3
79.95737	1.2
80.96501	0.4
89.02438	0.9
95.95209	0.9
96.96006	2.8
118.23387	0.3
153.32773	0.2
183.10263	1.3
197.11783	0.9
197.15468	0.3
212.37115	0.3
227.09186	1.4
235.56970	0.3
241.10747	0.4
241.14407	0.3
251.05919	0.4
260.59601	0.2
271.00949	0.3
307.19284	0.3
319.23022	0.3
325.20435	0.3
345.78513	0.2
357.18616	0.2
371.15308	1.4
373.23907	0.3
399.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47470	0.9
59.01373	4.7
74.13187	1.1
78.95967	1.2
86.14088	1.1
87.01206	1.2
87.86068	1.1
97.58834	1.1
126.03190	1.3
135.90334	1.2
153.12811	1.8
197.11882	4.9
215.12883	9.3
219.17540	1.5
237.18623	46.4
253.18190	8.9
263.16550	32.2
281.17606	100.0
289.16650	2.9
355.21512	1.8
381.19321	1.3
399.20187	32.7
421.26102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27777	1.7
56.92871	1.6
87.36246	2.0
98.19461	1.9
105.01910	2.2
107.67230	2.1
204.09496	2.1
249.18765	2.9
267.19659	100.0
272.45923	2.3
275.16666	4.5
293.17633	31.2
307.19199	2.8
311.18774	23.0
325.20215	2.4
329.06134	4.0
368.20337	2.8
391.08502	2.4
399.20181	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39726	0.6
58.23372	0.8
59.38596	0.7
77.37221	0.8
86.60769	0.8
97.93128	3.7
109.72221	0.7
113.92547	1.0
114.93399	1.5
148.01665	1.0
159.17757	0.8
160.01657	1.8
185.06059	3.7
188.01158	1.1
189.01888	1.3
200.04808	4.6
201.01997	1.4
201.05536	3.6
213.05556	9.6
214.06441	0.9
215.03665	1.2
215.07137	3.4
227.07137	5.3
229.05078	3.7
237.05629	5.1
239.10849	3.8
241.05064	3.8
243.06609	15.3
253.12317	13.1
255.06622	36.7
255.10211	9.5
256.07349	1.3
257.08191	6.1
270.12689	1.2
281.11765	1.2
283.09775	3.6
284.14090	1.8
295.20645	1.2
297.11575	2.4
298.12119	10.5
301.21658	5.8
311.16449	1.6
312.13614	6.4
324.17349	30.4
325.18097	1.4
339.19604	6.8
352.16760	5.3
367.19165	100.0
399.21783	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13220	1.1
58.02973	1.8
59.01384	94.7
60.80140	1.0
65.80080	1.1
99.18774	1.0
150.34773	1.1
190.12473	2.2
192.13937	7.2
210.15009	24.1
211.62183	1.3
285.19794	2.8
286.18237	2.4
303.20859	30.7
304.19296	1.7
321.21866	100.0
339.22745	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65973	0.6
50.68813	0.6
53.42532	0.6
54.13121	0.6
54.34992	0.6
67.42966	0.7
72.02147	0.9
80.10242	0.7
91.29938	0.7
93.99751	0.7
141.09229	0.8
143.10785	3.8
154.33208	0.8
183.13918	1.2
183.17554	0.9
183.62282	0.8
195.13918	3.2
213.14990	5.8
237.14966	6.9
239.16577	6.4
240.05409	0.8
255.16028	93.0
256.27350	0.9
257.17615	100.0
267.57718	0.9
399.27658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29127	1.1
53.00813	1.5
53.99817	1.0
59.01385	100.0
62.18798	1.1
63.10482	1.3
78.90678	1.4
80.84356	1.3
86.97298	1.4
97.86050	1.4
99.79654	1.5
102.71299	1.4
102.76746	1.4
120.08927	1.3
131.99986	1.6
198.96202	1.3
239.44887	1.4
239.77393	1.6
320.63663	1.5
358.40683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42078	0.3
59.01384	0.4
73.68406	0.5
89.57121	0.5
103.67494	0.4
135.02991	0.4
184.52176	0.4
281.24884	100.0
350.51593	0.4
399.27542	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26736	0.6
53.01326	0.6
66.45020	0.6
71.01379	68.6
81.33875	0.8
92.45952	0.8
104.74143	0.7
115.00359	17.0
172.37915	0.7
231.68509	0.9
257.35938	0.8
268.70407	0.8
283.26447	100.0
369.62137	0.9
399.27557	4.9
399.32288	1.2
403.37210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07998	0.4
59.01395	1.0
68.50724	0.5
71.55420	0.6
71.60491	0.5
93.96117	0.7
117.01907	0.9
262.30612	0.7
281.24884	100.0
322.95026	0.8
399.27457	12.1
399.31375	0.8
399.36401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56830	1.3
56.98209	1.1
57.03451	1.4
59.01388	12.6
59.84996	1.3
60.82471	1.1
67.44089	1.4
83.78297	1.4
92.69367	1.4
125.09694	2.2
129.56561	1.3
152.10814	1.7
153.12848	60.3
197.11844	75.5
214.14297	1.7
215.12881	29.6
217.59825	1.7
228.15999	2.4
242.17680	3.0
306.24500	2.5
349.25119	2.1
350.23453	8.6
367.26059	100.0
399.28693	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35384	0.4
59.01371	0.9
65.98012	0.5
74.44424	0.6
82.93989	0.6
88.00424	1.3
97.06561	0.6
116.68913	0.6
120.86433	0.6
125.09709	31.8
142.12357	1.0
153.12898	5.9
168.10382	0.8
169.08769	1.0
186.11363	100.0
187.09833	0.7
197.11868	8.4
200.12981	1.3
214.14510	39.3
215.12877	3.3
221.82509	0.6
251.83546	0.7
252.90332	0.6
399.24017	0.8
399.28714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31276	0.4
59.01377	1.1
76.39732	0.4
77.35680	0.5
77.81469	0.4
78.91801	0.5
81.80675	0.5
100.81081	0.5
102.32124	0.5
104.03543	0.5
125.31924	0.5
129.27856	0.6
160.02773	0.5
167.14412	15.1
170.11862	1.0
172.09807	2.1
210.15015	3.3
211.13399	25.7
228.16045	100.0
229.14479	7.4
230.67099	0.5
347.56088	0.5
361.48895	0.5
381.27374	2.3
399.20175	0.6
399.28528	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
117.27921	0.5
279.23322	100.0
399.29337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21405	0.9
55.63039	1.0
56.33383	1.0
59.01382	100.0
68.92631	1.1
72.38512	1.1
92.22562	2.1
138.75713	1.3
332.89267	1.3
336.34650	1.4
396.50272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71101	1.6
55.66063	1.7
56.53979	1.7
56.65275	1.6
61.98819	2.1
68.04929	1.7
84.82985	1.7
88.04032	7.9
96.11178	1.6
111.39236	1.6
122.21940	1.9
123.00898	16.1
138.03192	25.3
151.00414	12.5
153.05603	10.2
166.02698	9.2
181.05115	1.9
200.12933	11.7
201.13280	13.2
218.04544	2.1
225.32222	1.9
235.78181	1.7
253.05095	3.6
269.04617	2.6
279.03021	7.5
281.04620	14.8
295.02411	9.2
296.06769	2.5
297.04099	13.4
307.02487	17.9
310.04929	3.2
312.06299	3.7
322.04803	15.4
325.03424	2.5
327.08932	3.3
339.07874	2.1
342.06219	16.7
355.08249	7.3
370.05661	11.3
372.10849	8.5
382.09332	21.1
400.10437	100.0
400.27051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68578	1.5
59.01380	1.8
59.63812	1.6
61.98839	17.6
67.82684	1.6
78.37675	1.7
78.73271	2.0
85.61425	1.4
88.04025	1.9
95.21848	1.6
95.22549	1.7
108.57639	1.7
121.58442	1.8
123.00877	20.7
125.09706	3.7
138.03214	26.1
151.00378	13.9
153.05565	11.2
153.12749	2.1
154.13174	3.5
155.31116	1.7
166.02702	11.0
181.05080	2.9
187.09760	10.6
191.10268	1.8
197.11876	2.9
198.12122	4.1
218.04657	3.0
230.13928	2.8
231.79749	1.9
232.20892	2.0
253.05098	3.2
279.03003	8.0
281.04541	19.9
295.02560	11.0
296.06729	2.8
297.04083	13.5
307.02478	23.3
309.03922	2.1
312.06351	7.7
322.04871	14.8
325.03415	3.7
327.08508	6.6
342.06177	16.4
355.08200	3.8
363.09308	2.2
368.26364	10.5
370.05676	11.6
372.11008	9.4
382.09418	24.4
400.10410	100.0
400.22998	3.8
400.28055	3.6
423.45004	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62360	1.1
59.01381	17.0
60.87883	1.1
61.84828	1.2
71.01381	3.6
72.99308	13.3
87.00854	2.0
89.02412	2.2
101.02454	1.5
111.00838	2.9
116.85366	1.5
119.03539	1.5
128.05080	5.9
130.06612	70.8
133.06575	1.7
134.73003	1.3
146.06111	22.2
148.07681	1.6
158.06100	18.7
162.03246	13.9
163.03560	12.5
174.05591	2.3
176.07191	13.6
177.05588	21.1
178.05896	32.0
207.81717	1.6
220.06116	13.7
306.30917	1.5
325.13315	1.8
400.12515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.5
66.15429	0.7
71.01381	5.4
72.99306	13.2
80.62975	0.7
85.02916	0.7
89.02425	4.5
89.68166	0.6
92.05029	1.3
101.02439	1.8
113.02445	1.8
119.03484	1.4
120.04527	0.9
128.05055	6.1
130.06619	68.0
136.98047	0.8
146.06116	18.3
148.04028	3.3
148.07693	1.8
158.06100	16.7
173.23727	0.8
174.05609	1.3
176.07181	19.8
194.08131	1.0
220.06116	16.4
350.42767	0.8
400.12543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	1.2
59.01387	19.3
67.43729	1.0
74.77001	0.9
75.73493	0.9
77.20673	1.1
91.58543	1.0
131.38939	1.1
156.71738	1.0
252.04399	3.9
267.06677	11.5
308.88870	1.2
310.10892	58.8
311.11734	4.9
325.13223	89.9
326.14032	8.3
340.15564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.2
59.01379	20.2
71.01376	1.4
80.52277	0.8
84.49988	0.8
85.28190	0.8
101.02392	1.0
103.29484	0.8
113.42207	0.9
123.00867	1.8
137.02466	1.7
138.02792	1.2
139.03998	2.0
162.04935	0.9
196.82719	1.0
203.01469	1.1
224.04826	1.5
252.04279	1.8
259.66559	1.1
267.06641	9.5
310.10898	57.3
311.11731	4.3
325.13248	85.4
326.13995	5.5
340.15573	100.0
400.13300	5.1
423.71100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.7
62.17818	0.9
75.46609	1.0
77.04942	1.2
90.47194	1.0
121.10622	1.1
134.03757	1.3
145.02928	1.8
146.03261	1.3
150.60968	1.1
193.05038	1.3
252.04335	1.4
267.06567	9.9
310.10904	63.5
311.11710	4.8
325.13254	94.6
326.13977	6.3
340.15576	100.0
400.12921	2.2
400.17661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44757	0.8
59.01384	21.4
59.46354	0.8
94.69616	0.8
114.40549	0.9
116.15747	0.8
192.61124	0.9
214.04111	1.0
224.04845	1.3
252.04289	2.1
267.06717	9.0
310.10889	67.5
311.11670	5.6
315.34003	0.9
325.13239	97.7
326.13879	6.6
340.15576	100.0
383.26004	1.1
400.09506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43960	0.7
52.09457	0.7
53.33938	0.7
58.77866	0.6
59.01111	0.9
59.01387	20.1
61.98838	14.2
62.41615	0.8
65.75304	0.6
67.13905	0.8
72.49626	0.7
76.04639	0.7
76.52686	0.9
137.02208	0.8
180.48363	0.8
193.05112	1.2
223.34296	0.7
224.04837	1.5
238.07370	0.9
252.04312	1.9
267.06619	8.9
310.10910	60.1
311.11584	3.8
325.13242	89.4
326.13931	6.2
340.15594	100.0
400.05353	1.2
400.13046	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82435	20.6
59.01370	26.6
61.98831	100.0
81.58856	20.0
83.60871	22.9
92.23106	33.3
214.56451	23.9
302.97659	24.8
400.10690	32.3
400.17001	42.3
424.70642	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71739	1.1
59.01387	1.6
59.82532	1.1
60.92538	1.1
71.01382	15.1
85.06555	1.6
88.04032	48.2
96.99300	1.4
99.08159	6.5
115.00370	18.1
125.09678	2.7
132.03026	6.2
134.66968	1.2
145.38963	1.1
170.11836	4.5
184.13504	2.0
196.13138	1.2
221.79387	1.1
248.20193	1.9
266.21280	12.2
279.98575	1.2
284.22296	1.9
285.20731	20.3
308.02051	1.2
356.24557	1.6
400.10602	6.0
400.23434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
88.04024	5.0
228.10689	1.0
270.30536	0.9
302.73611	0.9
326.16281	1.3
400.19595	3.0
400.27246	4.0
401.20078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2707
Annotation	Myriocin
Peak:m/z	Relative Intensity
58.00591	1.7
58.02964	1.5
59.01111	1.2
59.01384	25.4
59.20694	1.1
59.57285	1.2
61.98820	5.0
71.15159	1.3
72.29744	1.5
73.02951	15.4
74.02461	2.6
74.06123	1.2
84.04544	5.9
86.06113	2.3
94.06551	1.2
98.95564	2.3
100.04041	2.4
102.05589	1.8
108.19975	1.3
114.05593	5.0
118.05103	1.4
135.33147	1.2
153.50130	1.3
211.50136	1.4
223.20720	13.3
235.20674	1.5
253.21764	10.1
265.21756	1.7
273.93167	1.3
354.26453	7.1
356.28070	8.2
372.27521	5.1
400.22757	9.8
400.27020	100.0
400.30655	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2709
Annotation	Myriocin
Peak:m/z	Relative Intensity
59.01382	0.6
61.71473	0.3
88.04034	100.0
104.24882	0.4
161.50967	0.5
197.88901	0.4
198.14937	0.6
400.27084	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2862
Annotation	Myxalamid B
Peak:m/z	Relative Intensity
57.36379	0.8
58.02979	1.3
59.87176	0.7
72.00907	4.5
79.60299	0.9
84.51751	0.8
91.05528	16.0
104.80968	0.9
107.42194	1.1
117.40927	0.9
138.49100	1.0
147.04521	27.4
164.07182	71.0
252.23276	8.9
282.25281	3.6
282.49033	1.2
321.12759	1.0
400.28616	100.0
407.15482	1.0
415.64493	1.0
418.41534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.3
60.00636	0.6
72.38536	0.7
73.02947	8.5
73.48820	0.7
73.87496	0.7
84.08202	1.6
96.08183	3.7
98.06056	0.9
102.04995	1.3
102.05612	21.5
104.75787	0.7
128.07181	1.1
146.08241	10.0
172.31001	0.8
223.20657	5.2
227.63199	0.7
235.20825	1.2
253.21735	6.9
321.62396	0.8
382.29593	5.9
400.30725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99410	0.8
56.22649	0.8
58.00596	1.1
59.01376	5.6
73.02951	9.4
79.07626	1.1
79.17637	1.2
79.96864	0.9
82.06657	2.0
84.08192	1.4
87.04494	1.2
96.08180	4.4
102.05611	23.4
116.77969	0.9
146.08246	8.7
192.58180	1.2
223.20642	3.9
253.21722	6.1
382.29630	3.8
400.30728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36430	2.6
52.49155	2.5
54.51093	2.5
56.87301	2.5
57.31838	2.6
59.01384	25.9
59.12579	2.4
72.80051	2.6
73.02946	14.7
92.67160	2.7
102.05564	21.9
132.95358	3.1
146.84506	2.9
193.98195	3.1
197.72348	3.1
202.26224	2.9
208.89156	2.7
223.20596	4.0
253.21796	3.7
274.55954	3.3
340.28329	4.8
400.30692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98846	1.6
76.35364	1.4
76.47095	1.2
85.95943	1.4
118.88760	1.3
235.55403	1.7
253.11763	1.8
374.98679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	83.2
66.09054	1.6
66.78832	1.8
68.05070	2.7
70.06618	20.6
73.68894	1.9
82.06618	2.7
91.77271	1.8
92.28448	2.1
98.02470	3.2
98.95621	2.8
118.05120	3.1
140.87978	2.3
186.78476	2.0
214.31512	2.2
237.22351	3.7
290.28293	2.5
382.29910	3.5
382.60269	2.0
400.22577	6.1
400.30948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76740	0.7
50.87771	0.8
52.36459	1.0
59.01384	100.0
64.19921	0.8
64.21374	0.9
70.38980	1.0
72.26636	0.8
76.54041	0.9
83.47536	1.0
102.05647	3.4
111.92147	1.0
228.95750	1.0
362.27020	6.1
422.41135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33978	0.6
59.01384	100.0
61.98829	5.0
63.20039	0.7
63.96243	1.0
78.98589	6.2
108.04536	1.4
141.12845	1.7
184.13454	0.9
194.15462	0.9
298.51172	0.9
320.32504	1.0
322.27670	1.0
340.28619	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46330	0.5
58.02975	6.2
75.14507	0.5
106.04220	2.5
110.16641	0.6
119.04996	0.9
134.49719	0.6
137.37686	0.5
143.78595	0.5
164.07191	0.6
280.26517	16.2
283.39276	0.6
383.74707	0.6
400.32245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66331	1.1
55.83399	0.9
59.01383	2.5
68.56850	1.1
73.07272	1.0
92.54138	1.0
93.87819	1.0
95.14332	1.2
95.97240	1.0
104.93977	1.1
108.91489	5.4
121.02899	4.4
123.04494	1.2
131.50673	1.1
135.04503	2.6
141.62158	1.1
155.60869	1.1
247.17076	9.6
249.18665	7.2
275.16479	2.4
293.17557	13.2
305.95709	1.5
311.08746	2.4
313.10324	2.7
319.09863	2.2
321.11597	16.9
337.06613	5.0
339.08212	8.3
353.10217	1.3
357.09338	9.5
365.10745	2.1
367.70584	1.2
383.07205	27.2
401.08328	100.0
410.06296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93336	0.7
51.95129	0.7
53.37560	0.6
59.01376	1.8
61.98830	100.0
65.85925	0.7
71.66535	0.7
79.27611	0.8
92.23161	1.7
98.42969	0.8
101.77081	0.7
112.49627	0.8
118.59933	0.9
124.70008	0.7
162.03247	1.9
173.97028	0.9
216.03525	1.0
233.22418	0.8
256.76468	1.0
270.62921	0.9
293.78381	1.0
308.05685	18.4
323.07996	4.8
338.10428	14.1
401.13980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.9
58.64856	0.8
59.01380	13.6
68.99793	0.7
69.03429	0.8
71.01379	22.1
72.86164	0.6
72.99307	1.7
73.02936	0.9
75.00869	22.7
79.51771	0.6
83.01382	1.2
85.02944	9.8
87.00867	8.3
89.02422	7.3
95.88514	0.8
97.02975	1.4
99.00879	20.7
101.02419	3.6
107.02459	0.7
111.00857	3.5
113.02428	1.4
114.01954	0.8
115.92729	0.8
121.02963	1.0
129.01945	25.1
130.93814	0.7
131.03491	1.6
147.04492	3.2
149.02438	12.2
159.02965	3.9
164.04807	34.0
167.77971	0.9
177.04059	25.3
179.07121	6.0
190.02713	1.2
191.03563	1.2
195.03290	1.3
195.05115	41.2
205.05067	5.1
206.05862	1.4
208.03831	3.1
221.08206	3.2
223.06136	30.1
239.12865	1.2
250.04884	0.8
250.93280	0.8
265.07239	1.8
306.25378	0.7
325.09409	1.0
325.78790	0.7
335.19855	0.7
349.01993	0.7
366.74005	0.9
369.40402	0.8
401.10931	100.0
401.17941	3.8
405.49228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99058	1.8
59.01375	16.2
71.01362	10.1
72.99304	70.1
73.02965	2.2
73.71623	2.1
89.02443	13.8
90.35645	2.0
94.33174	2.2
101.02444	8.2
104.39393	2.3
113.02413	3.0
119.03476	3.0
123.04520	19.2
135.04533	31.3
144.21461	2.7
179.03505	71.6
193.18648	2.1
197.04555	100.0
227.05661	3.3
238.02208	2.1
341.11038	23.3
360.88449	2.2
401.10883	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
55.71428	0.9
57.21248	0.8
58.81146	1.0
61.43901	0.8
61.79486	0.9
70.67699	1.0
71.01366	1.1
84.99332	1.1
85.02922	1.2
87.00865	25.2
101.02419	1.2
108.08638	1.0
113.06106	1.1
116.56090	1.0
123.00932	1.5
133.81981	1.1
163.04008	4.5
166.02702	1.8
176.04784	7.2
178.06389	17.0
179.07155	17.4
181.05092	4.6
191.03537	5.1
191.07172	2.4
192.04326	1.3
193.05122	4.6
193.08716	1.3
194.05753	4.5
203.03627	1.4
205.05159	4.0
206.05814	9.6
207.06505	1.5
209.08217	7.7
218.05864	2.2
219.02936	1.5
221.04631	1.6
221.08223	6.7
234.05415	2.3
235.06158	1.5
236.06857	1.8
237.07544	2.5
247.02477	2.6
247.06142	2.4
249.07755	2.6
250.53281	1.2
262.04718	9.3
265.07166	31.8
277.07242	17.6
295.08353	19.1
355.10608	9.2
383.09982	7.2
401.10947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10584	1.0
52.10289	1.0
56.43461	0.9
59.01381	2.3
71.01373	2.3
73.02947	2.3
75.00867	1.5
76.33251	1.0
85.02940	2.0
87.00868	27.6
88.98790	1.4
89.02434	1.1
97.02940	1.6
101.02452	7.0
101.59793	1.1
107.05014	1.5
113.02456	1.5
123.00891	1.6
127.03972	1.3
163.04013	5.2
164.04828	1.3
166.02740	2.3
176.04787	5.5
177.05499	1.3
178.06371	16.2
179.03398	1.9
179.07143	20.8
180.17763	1.3
181.05028	2.6
188.04657	1.4
190.12128	1.1
191.03557	8.3
191.07198	6.4
193.05083	2.7
194.05879	4.8
203.03575	2.2
203.08318	12.4
205.05086	2.6
206.05878	7.6
209.08226	6.7
218.05754	2.2
221.08160	8.3
233.08200	1.3
234.05362	4.6
236.06964	1.8
237.07626	2.6
247.02470	2.5
247.06062	2.3
249.07739	6.2
251.09193	1.6
261.07526	1.5
262.04819	9.0
265.07214	34.2
275.10382	2.1
277.07196	19.2
295.08264	18.4
355.10440	11.6
365.13574	1.6
383.09988	6.9
401.10944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00512	1.7
57.03451	2.0
59.01382	13.1
63.59706	1.5
69.31341	1.6
71.01380	22.7
72.99342	1.7
73.02937	2.0
75.00865	30.9
85.02932	8.9
87.00857	8.8
89.02438	3.5
89.83327	1.6
90.92725	1.6
92.22505	2.4
99.00870	20.9
101.02461	3.1
101.58241	1.6
109.92284	1.8
129.01952	27.0
147.04536	2.8
149.02441	13.9
153.11182	1.8
159.02968	2.2
164.04790	34.8
177.04037	19.7
179.07211	2.9
195.05127	46.2
206.05884	2.4
223.06152	37.2
259.98993	1.9
265.07138	3.6
374.88034	2.0
401.10876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
58.28992	1.1
59.01388	11.7
69.05012	1.3
70.78398	1.3
71.01382	21.7
72.99304	2.1
73.33464	1.2
75.00869	28.4
78.48241	1.3
85.02956	10.4
85.17744	1.3
87.00869	7.9
89.02419	5.6
99.00877	29.1
113.02408	1.7
129.01959	25.6
131.03499	2.3
149.02478	14.2
159.03065	1.7
164.04800	42.1
173.15877	1.4
177.04033	24.1
179.07086	3.1
195.05127	39.9
205.05020	5.6
206.05739	1.8
223.06161	38.6
265.07144	5.6
304.38135	1.4
401.10889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58436	0.9
59.01381	44.7
71.01376	31.9
85.02929	1.9
89.02439	63.0
100.12039	1.2
101.02433	18.8
112.35579	1.2
113.02441	18.3
115.92934	1.5
119.03482	20.2
143.03479	1.3
149.04555	1.8
161.04546	1.9
164.77304	1.2
179.05667	10.1
182.49127	1.2
191.05623	75.5
307.83569	1.2
341.10901	100.0
399.68167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22008	1.6
52.57165	1.7
59.01386	44.3
59.05069	1.8
62.50684	2.0
70.07837	2.2
71.01379	33.6
73.01384	2.1
85.02942	4.0
87.00865	2.2
89.02443	59.9
101.02436	26.8
110.23842	2.3
113.02443	19.0
119.03503	22.0
143.03500	3.2
179.05647	14.9
191.05614	16.9
199.09909	2.2
209.06538	2.5
295.79529	2.2
295.98401	2.0
341.10947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16554	0.7
51.39966	0.8
52.26877	0.7
53.66120	0.7
56.48898	0.7
58.39114	0.8
59.01381	16.0
71.01379	12.8
79.35635	0.8
85.02956	4.5
87.00882	1.8
89.02435	18.4
101.02440	8.8
104.10714	0.9
110.82257	0.8
113.02436	4.7
119.03475	5.6
131.03525	1.0
143.03458	1.0
161.04599	1.1
179.05606	3.8
179.07072	1.4
191.05629	100.0
193.39017	1.1
209.06670	5.8
265.07370	1.2
333.87604	1.1
341.10886	27.7
401.11084	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
88.80962	0.8
94.35260	1.0
98.17811	0.8
115.21062	1.0
171.10248	1.7
173.04617	3.4
197.65477	1.0
201.26822	0.9
212.07202	1.7
226.03789	3.5
239.08369	1.4
241.06232	2.1
251.08177	1.4
254.06941	1.6
255.07785	10.2
256.08386	1.4
267.04138	9.3
267.07751	5.6
268.08487	1.3
281.06076	0.9
281.09183	6.5
282.06485	5.4
283.07233	14.2
283.19238	1.3
291.07840	1.2
293.09503	1.3
293.51730	1.0
294.06638	1.5
295.07352	7.5
299.06659	2.2
308.07834	1.0
309.08832	21.8
313.08319	1.2
315.09818	5.7
327.09973	1.1
327.21786	2.2
337.08405	13.8
341.11429	5.0
369.10983	28.0
401.13596	100.0
421.67334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07263	0.6
76.65060	0.6
84.93867	2.7
99.92583	100.0
100.93359	21.1
109.36970	0.6
112.51797	0.9
115.92075	29.3
115.92859	1.4
116.92854	61.1
127.95731	3.1
133.77286	0.6
169.59586	0.6
170.58012	0.7
230.58632	0.8
234.12268	0.7
235.74289	0.7
253.01851	1.3
292.03891	0.8
383.13171	6.2
397.11133	4.0
401.14316	68.9
415.12256	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
54.90282	0.8
57.03432	0.8
59.01382	16.4
63.84573	0.8
71.01378	34.7
73.02942	18.9
83.01377	4.8
85.02943	20.0
87.00857	1.5
89.02439	5.5
95.01395	1.9
99.00861	8.1
99.64146	0.9
101.02438	36.3
113.02436	19.5
159.02992	5.1
161.04573	7.7
191.05708	1.1
208.20094	1.0
269.10315	19.0
321.90576	1.3
341.16010	1.2
401.14575	100.0
409.51123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99449	1.2
59.01382	100.0
146.03734	22.8
161.06064	12.2
164.04819	17.4
179.07141	87.3
197.34595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.10471	0.8
59.67982	0.7
85.02932	1.1
90.62467	0.9
91.33489	0.9
92.23125	1.1
99.00855	1.1
111.04545	0.9
113.02396	1.3
122.03739	1.7
137.06087	6.7
173.92854	0.9
292.92725	1.0
316.55280	0.9
317.08939	0.9
341.10831	1.3
401.22226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17369	0.4
59.01374	1.0
60.62656	0.4
92.22536	0.5
121.02914	0.6
156.68408	0.5
187.40166	0.4
193.62177	0.5
194.08237	100.0
198.67416	0.5
198.69655	0.4
202.74341	0.4
206.02368	0.6
253.21867	0.9
401.17236	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.35573	0.7
57.03439	0.6
57.35052	0.6
59.01101	1.3
59.01381	21.3
63.69830	0.6
66.44233	0.7
67.48319	0.6
69.11786	0.7
71.01377	12.9
73.02945	3.6
83.01389	2.8
85.02938	6.2
87.00869	0.7
89.02454	7.8
95.01391	1.3
99.00862	0.9
101.02433	15.9
113.02432	6.1
119.03483	3.1
177.12843	3.5
186.89856	0.7
195.13957	3.2
209.03801	0.7
221.11839	5.0
401.18195	100.0
408.02856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01878	1.3
57.03449	1.0
58.72188	0.5
59.01381	24.6
71.01373	15.2
73.02944	5.9
83.01374	2.6
85.02945	7.4
87.00858	0.8
89.02441	8.3
95.01401	0.7
95.86205	0.5
97.03053	0.6
99.00873	1.2
101.02435	17.9
113.02425	6.6
119.03497	3.8
122.12248	0.5
123.08177	1.2
161.04584	0.7
177.12892	6.0
195.13890	3.1
197.04419	0.6
219.17372	0.6
221.11902	3.0
243.44464	0.6
334.56677	0.6
348.90921	0.7
401.18195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66946	2.7
57.03461	3.5
57.84069	3.1
59.01384	100.0
61.83183	2.9
67.66183	2.2
71.01370	47.8
71.57330	2.5
73.02958	2.9
74.20457	2.7
74.97059	2.4
85.02938	4.0
89.02439	41.1
95.01417	3.0
98.35835	2.8
101.02460	27.5
106.80872	2.6
113.02428	17.0
119.03490	6.8
138.17647	3.9
138.19746	2.6
150.51216	2.8
151.07631	3.6
159.11795	15.5
160.06453	3.1
160.97484	2.8
161.04611	6.9
161.09712	21.4
162.29764	3.0
164.04793	36.5
177.12865	19.4
179.05598	5.4
179.07104	67.0
191.56415	2.7
191.71964	2.9
203.10840	22.5
208.32076	3.5
221.11841	54.7
326.68237	3.2
372.05658	3.2
394.98199	3.3
401.13348	7.8
401.18079	96.0
401.22559	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19820	1.0
59.01383	5.6
61.59904	1.0
62.45222	0.9
71.01384	1.5
76.02105	1.0
83.05037	5.9
84.30993	1.1
84.80145	0.9
85.02936	8.5
89.02431	2.2
91.03976	7.9
99.08163	2.5
108.93659	1.1
111.04507	4.5
114.06837	1.6
115.55001	1.1
127.03960	4.1
127.25005	1.1
139.11269	9.2
153.12770	2.4
160.14182	1.1
169.12311	1.9
171.10274	20.6
181.12329	6.2
183.13925	15.2
188.74323	1.4
199.13400	2.2
211.13440	11.2
228.13745	2.0
229.14479	3.9
251.16487	2.7
265.18063	13.6
283.19162	100.0
291.16296	1.3
291.19556	1.3
309.20724	5.0
315.56354	1.2
327.21799	33.2
329.23389	31.4
357.22879	10.7
358.09042	1.2
383.20779	11.4
401.21701	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49674	0.4
59.01382	3.8
61.98832	100.0
66.16428	0.5
71.01385	5.0
73.02961	1.1
83.01388	0.7
85.02950	2.8
87.00873	12.1
89.02463	0.9
92.22462	0.6
95.01424	0.5
99.00876	0.9
101.02431	6.7
113.02455	3.6
148.89125	0.5
159.03011	0.6
161.04547	1.9
164.04779	2.1
176.65799	0.5
179.07172	2.1
205.05156	1.7
208.03813	4.0
212.57344	0.6
223.06114	4.2
269.10318	10.8
295.08237	5.5
310.07645	0.5
347.49927	0.5
371.65616	0.5
401.14914	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21188	0.8
56.58320	0.8
57.03448	1.4
59.01367	8.4
63.70640	0.8
66.44104	0.9
69.03498	0.8
71.01379	3.5
80.23154	0.9
81.68372	0.8
85.02959	11.0
89.02430	3.5
90.28613	0.8
91.04001	15.3
97.06576	6.0
101.02412	0.8
125.06141	0.9
125.09716	2.0
127.11305	1.6
127.24039	1.0
139.11278	3.5
154.71082	0.8
171.10277	29.0
183.13884	11.3
185.11855	1.0
193.12315	1.2
195.13885	1.4
197.11829	1.0
209.11731	1.4
211.13423	37.5
218.43732	1.1
221.11858	3.8
229.14455	19.5
239.12941	3.3
241.14536	0.9
291.19781	9.4
309.20755	13.7
327.21817	100.0
329.23346	16.1
334.76242	0.9
401.21509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60415	1.0
55.25000	1.0
55.97821	1.1
57.03464	2.6
58.39748	1.3
59.01399	11.9
59.01637	1.4
71.01373	3.0
73.26228	1.3
85.02959	17.1
86.04555	1.2
89.02435	6.2
91.04015	17.2
92.22511	2.4
97.06578	8.4
99.08161	2.1
105.87093	1.3
113.33358	1.3
125.06071	1.9
127.11301	2.3
137.09743	1.8
139.11305	7.4
153.90950	1.4
171.10284	33.6
183.13905	32.3
197.15576	1.5
211.13417	38.5
229.14423	11.0
233.15517	1.7
251.16537	6.7
278.33627	1.4
283.19196	18.4
291.19720	8.1
309.20761	7.8
314.74677	1.3
327.21820	100.0
327.57480	1.4
329.23422	39.8
337.29871	1.3
341.10788	2.2
401.25836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	3.9
76.71308	2.0
79.95743	2.5
84.95619	1.9
89.02441	3.3
121.02933	2.1
135.04521	2.5
151.71158	2.1
162.43922	2.3
201.11404	9.4
288.42123	2.3
327.21710	4.3
401.20328	9.7
401.25092	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79662	22.2
71.67168	20.1
81.91531	22.7
83.88102	23.1
121.02907	34.9
148.63264	26.3
165.05975	23.2
166.48665	23.7
188.27782	26.3
225.00441	22.6
401.25674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03874	2.5
57.52088	3.1
59.01383	100.0
61.98831	6.8
67.10989	2.9
72.83582	2.6
74.81915	3.3
89.02422	14.1
96.19409	3.0
102.82374	3.4
121.02980	3.8
125.09726	3.9
135.04491	5.3
155.79834	3.4
177.49350	3.2
201.11519	4.9
215.88730	3.9
249.27716	3.3
347.22409	4.3
401.20609	6.9
401.25534	5.3
416.79199	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39910	1.0
52.08705	1.0
55.42669	1.0
56.13726	1.1
71.50618	1.0
81.40646	1.0
105.51819	1.2
119.05025	1.7
121.02917	8.7
159.11731	2.2
163.04004	9.5
167.59430	1.3
169.10249	1.4
173.09671	1.8
176.04756	2.4
177.05557	2.0
187.11258	11.4
189.05586	5.6
213.06696	1.1
216.07967	2.3
217.08710	25.7
225.71973	1.1
231.10269	74.9
232.11052	5.5
255.23375	2.1
269.24957	1.4
285.15036	2.7
300.17328	33.1
302.66269	1.2
313.06906	1.1
325.25546	1.6
357.28006	9.7
369.24359	100.0
372.35513	1.4
385.27063	1.3
401.09027	2.7
401.26807	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43571	9.2
59.01381	16.8
66.53201	7.8
79.16250	9.6
79.99187	8.6
97.49017	10.4
107.51231	10.4
156.79373	12.1
175.07619	24.0
178.06360	40.8
329.13995	100.0
338.49658	15.3
402.12878	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11905	1.2
56.14619	1.1
58.78727	0.9
59.01385	2.2
60.21657	1.4
78.95902	100.0
87.44763	1.0
96.96957	16.8
99.68034	1.0
118.92606	1.2
165.44264	1.1
199.96172	1.2
262.85129	1.2
402.24179	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
62.71725	0.5
73.02963	0.5
78.95906	100.0
92.23177	1.0
95.77231	0.5
96.96954	15.8
111.85311	0.6
130.20949	0.6
151.99707	0.6
178.09303	0.6
372.27695	0.9
393.83725	0.6
402.24164	52.8
402.28711	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52605	0.7
59.01382	17.6
61.98827	0.7
66.75647	0.7
78.95900	100.0
96.96947	18.0
131.51550	0.7
159.25186	0.7
160.79817	0.9
237.14305	0.8
372.27786	0.9
389.29330	0.9
402.24146	47.5
402.28226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	27.2
71.43567	4.9
90.85151	5.7
96.38215	5.2
360.13293	28.3
384.13132	10.4
402.14224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2863
Annotation	Mycestericin C
Peak:m/z	Relative Intensity
56.01395	0.7
56.63216	0.6
58.00589	1.3
59.01378	7.2
68.05049	4.3
69.90217	0.8
70.02988	0.9
73.02944	15.3
74.02474	12.4
78.95921	0.8
83.64977	0.8
84.04584	0.7
86.02464	1.1
86.06119	1.7
100.04044	6.4
108.73735	0.7
112.23779	0.7
116.03503	1.3
118.05124	6.9
130.05083	6.1
166.25038	0.8
196.28651	0.9
223.20708	5.7
235.20746	1.0
244.99594	0.8
251.31987	0.9
253.21741	11.2
300.14658	0.8
313.65967	0.8
354.26489	5.3
372.27628	22.4
384.27454	0.8
402.28659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83502	1.1
59.01408	2.2
61.98817	2.3
73.02946	18.9
74.02470	14.6
78.95905	1.5
92.67632	1.4
100.04057	6.0
103.16657	1.3
106.00738	1.5
112.23995	1.3
114.06705	2.0
118.05062	7.7
130.05070	1.6
188.24593	1.6
223.20663	5.6
232.44849	1.5
253.21748	9.2
354.26669	3.3
372.27661	22.9
402.14874	1.8
402.23285	3.4
402.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17533	0.8
59.01375	5.1
59.31165	0.7
60.04534	1.3
70.02972	5.1
71.01378	1.0
72.00908	1.6
72.04540	1.1
73.02950	3.6
74.02474	8.9
75.00877	18.3
77.00611	0.8
85.02907	1.1
85.38354	0.8
88.04026	3.6
98.03762	1.0
100.04037	13.4
102.05614	1.2
104.03529	2.1
105.01933	15.9
112.04011	1.3
116.03539	3.6
117.02168	1.0
118.05099	35.5
130.05098	21.3
148.06137	4.8
160.06157	1.5
166.37379	0.9
188.84726	0.9
223.20668	1.7
248.24010	0.9
251.82877	1.0
253.21750	6.6
265.21671	6.0
306.24551	1.1
372.27646	5.9
402.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2867
Annotation	Mycestericin B
Peak:m/z	Relative Intensity
51.17533	0.8
59.01375	5.1
59.31165	0.7
60.04534	1.3
70.02972	5.1
71.01378	1.0
72.00908	1.6
72.04540	1.1
73.02950	3.6
74.02474	8.9
75.00877	18.3
77.00611	0.8
85.02907	1.1
85.38354	0.8
88.04026	3.6
98.03762	1.0
100.04037	13.4
102.05614	1.2
104.03529	2.1
105.01933	15.9
112.04011	1.3
116.03539	3.6
117.02168	1.0
118.05099	35.5
130.05098	21.3
148.06137	4.8
160.06157	1.5
166.37379	0.9
188.84726	0.9
223.20668	1.7
248.24010	0.9
251.82877	1.0
253.21750	6.6
265.21671	6.0
306.24551	1.1
372.27646	5.9
402.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2864
Annotation	Mycestericin C
Peak:m/z	Relative Intensity
53.14708	1.2
53.15444	1.4
58.02964	1.4
60.10928	1.1
61.98824	2.9
74.02469	1.6
80.49220	1.2
86.13728	1.2
99.84889	1.4
100.40584	1.4
114.05601	1.7
128.73875	1.3
130.05095	1.4
189.96565	1.4
225.22305	23.4
253.21571	2.5
255.23366	18.1
276.26917	1.9
286.67740	1.4
356.28107	10.1
358.29425	3.4
358.63940	1.4
374.29013	2.6
402.28589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66967	0.8
72.00903	2.0
86.47478	1.1
91.05477	10.5
135.33830	1.1
147.04504	26.9
164.07176	65.2
228.56912	1.1
254.24840	17.4
266.24869	1.6
298.07599	1.2
305.62808	1.2
306.14893	1.7
402.23395	6.4
402.30182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99703	1.1
56.58399	1.2
59.01384	2.7
79.48880	1.1
80.90926	1.0
102.05615	16.8
111.55070	1.4
114.09225	6.5
116.07163	100.0
196.31694	1.1
204.49936	1.2
237.28874	1.2
250.33296	1.2
322.31073	1.6
366.30200	35.2
402.30151	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35559	0.7
54.41935	0.8
56.52633	0.7
59.01384	100.0
67.31334	0.8
78.95870	2.7
88.47111	0.9
96.20124	0.9
97.86419	0.9
115.30613	0.9
117.66406	0.9
157.80988	0.9
183.73683	0.9
197.64937	0.9
198.14941	1.0
254.06717	1.0
342.30231	8.0
379.47501	1.0
402.24054	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05526	1.1
51.32593	1.0
57.78346	1.1
57.99871	1.4
59.01383	100.0
61.88902	1.1
66.69783	1.3
72.77055	1.4
73.88023	1.2
78.95905	1.8
84.42820	1.4
100.65354	1.3
105.73911	1.7
136.66211	1.3
137.67986	1.3
413.82083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.9955
Annotation	Uridine diphosphate (UDP)
Peak:m/z	Relative Intensity
54.32888	0.6
59.01383	0.7
78.95903	100.0
95.60456	0.7
96.95994	1.7
96.96956	8.9
106.17712	0.6
111.02001	29.6
134.03761	4.0
149.05984	0.9
158.92540	78.0
165.50162	0.8
174.98030	1.3
176.93573	1.1
211.00194	1.4
213.53984	0.7
272.95782	11.2
305.01816	7.1
323.02820	3.0
341.95761	0.8
384.98520	4.0
402.99539	88.3
403.14185	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89072	0.3
59.01362	0.4
59.23992	0.2
61.64627	0.3
69.94860	0.3
70.76318	0.3
71.47311	0.3
85.02930	2.8
87.00871	0.5
93.03438	1.1
127.04003	1.3
148.02843	0.3
168.55983	0.3
173.04538	0.6
191.05624	100.0
403.06491	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77125	0.6
57.75426	0.5
62.74072	0.5
71.22520	0.7
78.03445	0.8
78.95905	6.0
90.65501	0.9
92.23117	0.9
96.95997	3.7
96.96940	8.3
99.05647	5.8
100.04037	13.1
101.02453	10.7
105.63262	0.7
111.02057	0.9
143.04626	100.0
158.92560	3.3
165.04051	0.8
185.05681	3.7
190.07191	1.3
207.29213	0.7
211.00201	1.4
215.06767	18.8
218.04921	1.4
291.15683	0.8
298.31152	0.8
305.10004	30.8
386.56232	0.8
402.99625	3.9
403.07394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1038
Annotation	Conyzatin
Peak:m/z	Relative Intensity
53.36863	1.6
59.01384	18.9
63.44545	1.4
69.62125	1.6
71.01388	11.9
75.94520	1.7
77.35393	1.7
80.68329	1.8
85.21078	1.6
87.00822	1.7
89.02437	2.5
94.94745	1.9
97.18737	1.6
101.02421	2.7
108.02194	3.9
109.02950	11.4
113.02415	10.3
115.00359	8.7
119.70938	1.6
122.03729	31.3
122.59879	1.8
124.01654	2.2
137.02536	3.0
138.03256	1.7
139.00357	7.1
140.01155	9.6
147.04602	2.9
149.02441	9.4
153.86674	1.8
154.02718	3.7
162.03336	2.2
163.04028	37.9
164.04865	2.6
177.05618	7.8
178.06371	11.3
179.10786	7.0
191.07120	12.2
192.77933	1.9
195.03056	2.2
197.11734	2.1
223.09723	2.1
239.07091	2.3
241.10924	13.7
257.04620	7.5
267.06662	9.2
272.06961	10.1
285.07761	17.5
287.09290	11.0
299.09311	2.2
300.10101	44.6
315.12430	100.0
325.77127	1.9
359.11322	7.1
361.39633	2.0
403.01929	2.0
403.10474	72.2
403.15540	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
68.52238	1.3
71.05096	1.3
71.93065	1.3
76.71665	1.3
80.68436	1.5
104.54514	1.4
109.14238	1.5
119.09355	1.4
122.06087	2.2
160.04012	2.3
175.02771	9.6
176.03566	12.2
191.05586	1.6
192.03090	1.9
203.02284	1.9
204.03020	14.2
223.09795	1.9
227.08272	5.9
234.04115	2.5
240.10387	1.5
243.11470	8.5
253.09740	2.0
254.06960	1.8
255.07774	4.8
255.11539	2.6
267.07712	1.5
268.08551	5.6
269.09387	8.0
271.07330	8.2
271.10806	2.1
281.09314	9.0
283.10956	6.9
294.06604	6.7
297.05283	3.6
299.07068	2.0
299.10327	5.4
309.08807	18.1
312.07559	2.3
327.10037	11.6
341.11353	3.4
343.09219	1.6
353.07568	2.7
359.12698	2.1
371.08780	2.2
385.10342	3.4
403.11517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62702	1.1
59.01386	13.4
71.01402	1.5
72.99313	1.3
73.02943	1.3
74.94778	1.3
113.02426	3.2
122.06062	1.7
148.04079	2.1
175.02759	10.0
176.03511	9.7
197.06174	2.0
197.11797	5.8
203.02252	2.0
204.03050	12.4
227.08241	5.9
229.53587	1.3
240.10445	1.8
241.10835	2.0
243.11475	8.2
253.09882	5.1
253.58765	1.3
255.07712	5.8
255.11417	2.5
268.08594	5.7
269.09335	7.7
271.07278	7.5
271.10904	1.4
281.09329	8.0
283.10977	9.1
284.09277	2.6
294.06555	8.8
297.05231	2.5
299.10376	6.4
309.08844	18.8
312.07587	3.0
327.09900	16.6
341.11264	2.6
343.13940	2.4
360.79501	1.5
371.08817	2.2
385.10617	5.3
403.11481	100.0
403.15543	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1248
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01382	25.5
71.01372	10.7
72.99313	1.2
75.00835	0.9
75.91933	0.9
83.01393	1.4
85.02947	2.1
89.02434	15.2
95.01396	1.0
101.02415	6.6
104.80090	1.0
108.59484	1.2
111.00893	1.2
113.02443	4.8
119.03499	4.6
119.90331	0.8
120.58865	0.8
123.00880	4.8
136.98785	1.3
138.03220	13.9
139.00388	10.4
152.04793	1.7
153.05569	6.4
154.02744	1.2
165.01950	7.3
166.02699	3.9
179.03432	1.7
180.04298	10.0
193.01384	13.3
195.06631	3.8
208.03777	69.8
223.06128	100.0
226.73456	1.1
239.74171	1.0
403.12448	34.1
425.30112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.2
64.08813	0.6
66.74583	0.7
71.12045	0.7
91.77705	0.7
92.23128	0.7
108.85629	0.9
124.81934	0.7
138.03178	0.8
138.91669	0.6
148.55638	0.9
166.02715	76.0
181.05080	100.0
216.54207	0.7
218.20201	0.6
343.10385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1401
Annotation	Flustramine H
Peak:m/z	Relative Intensity
59.01385	1.1
67.68306	0.5
73.45802	0.5
87.52607	0.5
92.22564	0.8
119.05017	2.9
121.02891	0.7
126.84840	0.5
129.89697	0.6
133.03056	0.6
134.03741	100.0
136.01688	2.2
147.04532	5.0
148.05321	3.8
149.06082	40.8
150.03241	1.0
151.04042	0.6
153.05608	1.2
164.04787	0.6
165.05560	2.1
192.04323	3.8
193.05098	3.4
195.06673	1.3
197.11862	0.6
207.06636	5.0
222.59265	0.6
285.13495	0.7
355.11905	2.7
403.14041	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34267	1.0
58.75302	1.1
61.98846	1.5
86.17057	1.3
95.56904	1.4
102.35440	1.2
105.82218	1.4
105.85228	1.3
121.02930	19.5
122.03738	7.4
133.02914	6.3
136.01561	1.5
149.02448	33.9
150.03214	96.7
158.92581	1.9
161.06116	2.2
163.07603	1.4
164.04715	9.6
165.05571	100.0
177.01961	3.3
180.04260	7.0
192.02557	2.9
192.04311	80.6
195.06631	41.2
205.35664	1.6
207.06635	55.9
222.03528	1.4
245.76968	1.3
251.45963	1.4
279.06757	2.7
292.07416	3.2
293.08319	2.1
296.06897	2.9
297.07895	1.6
307.06454	1.8
308.07022	5.4
311.09381	11.2
323.09305	2.4
325.07272	6.3
340.09537	5.5
342.71307	1.4
355.11874	52.4
395.00470	1.6
400.09973	1.3
419.92831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11786	1.2
59.01372	6.2
71.01394	4.5
75.33579	1.1
79.30251	1.5
89.02427	1.8
101.02418	2.4
109.02949	61.0
113.02435	1.8
123.35663	1.2
134.02475	6.1
135.04518	12.4
139.22037	1.3
153.01935	100.0
180.39452	1.3
219.11438	30.2
249.12456	79.0
267.13577	11.7
346.98990	1.4
403.09024	9.9
403.15137	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90966	0.8
55.27262	0.9
59.01379	2.5
64.79085	1.0
66.80125	1.1
74.02045	1.1
85.02950	2.4
109.02185	1.9
109.02942	56.7
134.02486	7.1
141.11134	0.9
153.01935	100.0
181.65219	1.0
193.87227	1.2
219.11404	27.9
249.12448	86.0
267.13513	12.7
403.15149	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34272	0.9
59.01381	9.5
59.17419	0.9
71.01367	1.9
78.95947	1.3
89.02442	4.4
98.70136	1.2
101.02444	1.3
109.02941	59.3
109.68404	1.1
112.72540	1.1
118.00864	1.1
126.20068	1.1
134.02444	6.4
134.83420	1.1
135.04529	2.5
141.56551	1.0
142.02690	1.3
153.01929	98.1
166.02702	5.4
167.03569	2.5
181.05069	11.4
186.97932	1.2
192.10268	1.4
219.11398	25.5
249.12448	81.7
266.22900	1.3
267.13437	12.0
294.43616	1.2
403.15161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65847	0.5
54.09585	0.6
55.44513	0.5
57.30856	0.6
83.93052	0.7
84.93888	1.4
88.29272	0.5
99.92583	100.0
100.93359	19.5
114.94958	0.7
115.92075	32.8
116.92854	74.6
127.95712	3.1
138.19887	0.6
142.94427	0.9
145.45125	0.5
149.06133	0.7
168.14333	0.7
171.94696	0.9
233.08978	0.6
235.00784	0.7
253.01672	2.6
266.02545	0.9
267.95685	0.6
268.03461	0.6
275.87625	0.6
385.14630	4.1
399.12897	1.5
403.15872	57.1
417.13870	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03395	2.1
59.01381	92.1
59.02424	2.2
67.05547	3.1
71.01370	40.7
75.71034	2.1
89.02439	48.4
91.13076	2.6
93.64547	3.0
95.01373	3.7
99.04507	5.0
101.02425	27.5
105.27095	2.5
113.02449	25.9
119.03484	20.8
124.05308	2.6
135.11798	4.3
161.09689	4.5
179.05606	23.1
179.10796	38.8
186.88469	2.6
223.09784	100.0
228.29364	3.1
248.70782	2.6
307.37543	3.0
401.72482	2.9
403.16168	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68047	3.4
58.37894	3.5
58.96281	3.0
59.01378	100.0
59.20012	4.0
61.30954	3.4
61.98820	4.3
62.24135	4.0
68.54115	3.7
70.13225	3.9
70.88878	3.7
71.01388	4.0
72.99316	7.5
77.65105	4.1
97.10494	4.0
99.12672	3.5
133.47276	4.1
161.04564	7.8
163.00499	4.5
166.06386	7.7
177.29370	4.1
179.07120	4.8
181.08727	28.4
223.06067	5.2
241.07077	14.4
403.12073	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76099	1.3
56.69830	1.3
57.25785	1.5
59.01382	100.0
71.01414	2.1
72.99330	1.7
78.95898	14.0
87.25615	1.4
97.02941	83.3
111.01996	1.7
146.37016	1.6
158.92560	11.1
177.17596	1.6
343.14047	8.3
355.31897	1.5
402.99353	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68269	0.4
56.88832	0.5
59.01373	0.8
61.98830	0.7
78.95903	44.5
81.29366	0.6
84.84272	0.5
89.91496	0.6
91.36051	0.6
96.96970	4.8
150.98009	1.2
152.99585	100.0
171.00662	2.8
249.18517	3.0
260.59915	0.6
403.18860	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1894
Annotation	Eryvarin E
Peak:m/z	Relative Intensity
59.01369	1.2
61.98818	0.7
62.01839	0.5
78.95904	40.9
96.96950	4.8
150.98004	1.1
152.99585	100.0
166.50323	0.5
171.00633	2.2
188.64821	0.6
249.18579	2.3
403.18835	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1898
Annotation	Eryvarin E
Peak:m/z	Relative Intensity
61.98834	52.3
67.23221	34.2
69.23173	32.8
75.25671	43.9
84.31908	35.5
85.12234	38.4
112.69799	39.2
148.08659	41.3
152.99580	100.0
159.56985	39.9
189.24194	37.8
243.33681	42.7
403.20132	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
59.01381	38.2
59.84290	1.0
64.79056	0.8
71.01378	26.9
71.87881	0.9
73.02925	2.4
73.90398	0.9
76.86854	0.8
82.45784	0.9
83.01398	1.2
85.02944	4.3
89.02441	24.0
95.01363	2.3
101.02434	19.2
105.74453	0.9
113.02450	11.6
117.61378	1.0
119.03490	9.5
133.10190	1.2
134.44533	1.0
161.04536	2.3
161.09724	4.8
163.11310	4.4
174.88004	1.1
223.13400	50.9
241.14464	5.9
257.85907	1.2
304.63434	1.0
313.64780	1.0
369.81750	1.1
403.19760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
50.03143	1.2
59.01384	29.1
62.32817	1.3
63.56549	1.5
71.01379	22.1
71.01970	1.5
73.02962	1.8
85.02928	7.7
89.02436	25.8
101.02435	22.2
113.02444	15.5
119.03471	10.7
128.04752	1.6
161.04543	6.5
161.09724	2.6
163.11310	2.3
174.18083	1.6
223.13422	38.9
225.83856	1.8
241.14421	8.4
280.88373	1.5
297.96881	1.6
403.14478	3.2
403.19754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.79321	0.8
55.01875	0.8
57.03444	0.8
57.30153	0.7
59.01384	31.9
65.48956	0.8
71.01375	22.0
71.05017	2.3
73.02928	3.5
75.28299	0.9
78.42356	0.8
78.95930	1.1
81.43980	0.8
83.01376	1.8
85.02945	7.9
87.00890	3.5
89.02437	11.2
91.46982	0.9
95.01376	1.5
97.02985	1.2
101.02434	11.3
103.17661	0.9
113.01726	0.9
113.02406	6.6
115.03929	1.0
119.03500	1.2
119.43744	1.1
125.02465	1.4
158.92584	0.9
168.44295	1.0
205.12337	6.7
223.13377	6.1
241.14485	6.9
271.06635	1.1
319.05624	1.1
367.17807	1.6
385.18707	100.0
402.99426	1.5
403.19434	8.6
403.24219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1979
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
59.01383	51.5
69.03449	1.3
71.01385	15.5
73.02941	47.1
77.40464	1.0
78.95901	1.0
83.01382	6.0
83.05025	5.2
89.02422	7.5
96.54102	0.9
97.39613	1.0
101.02438	29.4
113.02413	7.3
116.19749	1.1
119.03492	1.6
131.03490	1.1
131.41866	0.9
135.11740	1.0
137.13309	1.9
150.46844	1.0
158.32350	0.9
158.92523	1.0
161.04590	3.9
164.47890	1.0
167.03577	1.0
167.68097	0.9
181.12325	1.9
222.05263	1.9
263.51837	1.0
271.35785	1.1
284.08231	1.1
361.18625	1.7
403.14960	5.1
403.19733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2162
Annotation	17-phenoxy trinor Prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.68653	0.2
55.22818	0.2
59.01360	0.4
62.47337	0.2
72.99293	0.3
79.95747	1.4
94.98064	3.1
96.96014	0.4
116.93200	0.3
128.44974	0.3
137.61050	0.3
152.76750	0.3
168.98543	0.3
193.05043	0.4
207.06601	0.4
217.52104	0.3
403.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2166
Annotation	17-phenoxy trinor Prostaglandin F2alpha
Peak:m/z	Relative Intensity
59.01394	0.3
65.39126	0.2
66.68967	0.2
71.01366	0.3
72.99300	0.3
78.95925	0.3
79.95737	1.6
81.09589	0.2
94.98076	2.0
96.95982	0.4
113.02389	0.3
116.02278	0.3
192.04347	0.3
260.01358	0.3
382.27142	0.3
403.21658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42521	4.1
59.01378	100.0
61.98832	4.3
69.76579	4.1
78.95912	6.6
111.80462	5.3
182.94524	4.9
228.18021	4.7
403.22098	7.1
429.53891	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10834	4.2
59.01381	100.0
61.98837	9.9
64.93670	4.1
74.26847	3.9
83.28616	4.1
88.90945	4.5
89.55945	4.5
92.31980	4.3
111.71416	5.7
117.01886	5.3
143.07494	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.2
61.98830	19.8
62.05842	15.7
68.95627	19.0
82.09338	14.1
84.87238	16.0
105.01928	100.0
142.86795	16.6
248.59543	18.1
253.27466	17.7
283.03564	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85939	53.5
59.01372	100.0
61.98830	89.0
77.57323	67.3
85.31750	68.3
88.72769	64.6
270.72412	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51320	45.3
54.48193	35.2
59.01379	64.9
63.38286	42.3
89.49268	45.1
98.25362	43.4
113.08466	42.2
144.04251	46.6
226.96571	48.4
286.03986	51.1
335.12134	51.7
341.16925	54.0
347.25977	100.0
365.27032	61.9
424.64731	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79003	48.4
57.04785	54.3
59.01372	83.7
60.95112	42.5
61.15277	46.4
61.98822	60.8
62.17304	48.9
64.25372	47.9
65.34696	42.3
66.30259	45.3
73.55437	44.3
96.95981	53.8
116.59440	53.4
209.40134	58.7
255.03091	73.7
278.87216	56.3
285.32446	76.7
386.82336	64.4
395.33804	65.1
403.13678	93.7
403.21912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90145	21.9
59.01373	100.0
62.78206	23.7
62.94191	24.6
64.54730	23.6
226.17686	24.3
243.02487	31.9
353.11798	28.1
421.49161	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77221	13.0
59.01383	64.2
61.42165	12.3
85.52404	14.7
93.36424	18.5
93.80859	14.3
126.31891	15.1
141.19389	14.3
157.90498	16.1
166.18112	17.5
257.01865	14.8
265.18109	100.0
349.23779	94.2
359.26135	23.6
367.24799	62.8
373.50003	17.2
373.71680	16.9
403.24966	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42481	69.3
63.43192	67.5
78.95913	93.0
82.37827	69.5
91.11029	72.9
93.95275	79.5
108.34570	81.0
126.23206	84.3
140.74733	93.4
142.36549	82.9
144.14600	77.8
380.98224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43249	1.5
59.01378	2.2
61.98839	2.3
71.01385	29.0
72.99315	12.1
79.95712	1.5
81.20007	1.4
103.19746	1.6
115.00370	15.5
122.25439	1.7
139.26010	1.7
176.89778	1.7
213.19795	1.9
235.60385	1.8
269.21140	14.7
287.22327	100.0
304.01422	1.6
307.52353	1.6
359.22519	2.1
385.22290	2.9
403.23431	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2342
Annotation	Celerioside E
Peak:m/z	Relative Intensity
51.68206	0.6
72.99271	0.6
81.05579	0.7
87.00867	100.0
96.96004	0.7
115.47829	0.7
146.97179	0.6
162.67772	0.6
171.10330	1.1
181.14597	0.7
201.11337	0.8
241.18135	13.8
267.19586	1.0
272.02954	0.6
329.23264	2.5
331.24744	1.3
366.35947	0.7
403.23380	26.7
425.92807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08416	0.7
56.16859	0.7
57.09073	0.7
58.92503	0.7
59.01381	4.1
61.98826	3.7
62.66551	0.8
78.95934	0.9
87.00872	100.0
127.11295	1.4
139.11310	3.6
157.12337	4.8
164.66269	0.7
171.10265	10.9
183.41388	0.7
199.13406	1.0
211.13458	4.3
229.14514	3.7
241.18147	11.1
243.62790	0.8
293.21091	1.5
311.22241	1.9
329.23480	6.9
371.12943	1.0
403.23294	21.9
403.27197	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93814	1.2
57.03469	1.5
59.01379	3.3
61.98843	1.8
66.98930	1.2
69.03450	2.8
72.99216	1.3
78.95898	5.1
91.04026	1.9
97.06590	6.8
99.08140	2.1
104.45810	1.7
113.09719	2.8
123.08131	3.3
125.09718	100.0
127.11301	2.0
139.11264	6.9
153.12802	2.1
157.12328	14.6
159.10263	86.1
169.08731	7.3
171.10272	26.1
187.09785	53.6
211.13411	9.6
215.12904	8.1
229.14426	10.6
243.12416	8.1
258.15445	1.5
261.13455	12.5
289.16592	2.8
293.21252	7.3
293.92206	1.7
303.17883	2.3
307.66827	1.4
311.22253	7.4
327.04575	1.4
329.23532	11.4
370.45502	1.7
372.06354	1.6
403.23273	67.1
403.27240	47.2
408.96964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2494
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
57.03458	7.7
59.01409	1.7
60.59739	1.4
73.31110	1.6
78.95905	39.9
96.96014	3.1
96.96967	7.9
107.39430	1.5
111.14629	1.3
137.06111	2.1
162.98679	1.5
359.25977	100.0
396.09314	1.9
403.24997	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2492
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
59.01374	0.7
61.61207	0.6
66.06207	0.5
69.60419	0.5
108.16798	0.7
121.93117	0.6
135.89436	0.6
231.17552	1.2
245.19168	3.5
257.19336	0.7
311.23828	2.7
313.25421	33.6
323.23880	2.5
331.26614	0.7
341.24863	36.2
359.26123	2.3
360.49945	0.6
367.22684	1.1
373.28528	0.6
379.14847	0.6
385.23856	28.7
403.24927	100.0
422.74884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2645
Annotation	Isoiguesterin
Peak:m/z	Relative Intensity
60.51937	0.4
97.54636	0.6
107.05006	1.2
163.11295	0.9
177.12851	2.5
199.86188	0.5
225.12921	0.5
227.14395	0.8
242.23766	0.6
295.20718	0.7
297.27130	0.6
403.26453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.53829	0.7
62.92682	0.7
68.32094	1.0
73.19793	0.8
74.56075	0.8
74.93452	0.8
76.97559	0.8
78.00949	0.8
78.95901	1.2
92.88821	0.9
111.93258	0.9
132.54195	1.0
195.90715	0.9
224.45174	0.9
296.09845	1.0
359.26016	1.6
403.24762	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78410	0.9
52.87982	0.9
59.01381	100.0
60.01725	1.6
188.71521	1.1
246.55719	1.2
303.69147	1.3
421.70831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88478	1.4
59.01383	100.0
59.01681	3.3
61.98822	2.2
68.76963	1.6
79.85541	1.5
83.34458	1.5
142.38322	1.8
145.69809	1.6
217.39397	1.7
269.21368	6.6
352.96985	1.9
382.53580	1.8
403.20950	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85330	0.8
54.70379	0.9
59.01382	100.0
61.98818	1.4
74.91879	0.8
98.79430	1.0
127.43008	1.0
145.77963	0.9
152.99561	1.6
208.58780	1.0
219.10297	2.4
258.46774	1.1
269.21094	8.3
274.78922	1.0
277.48761	1.0
324.84793	1.0
359.22610	1.0
362.31198	1.2
403.21417	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.66393	0.7
67.72464	0.8
96.20263	1.0
125.89626	0.9
168.12067	0.9
170.31891	0.9
203.88202	1.0
403.21552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59063	0.7
57.03469	0.9
59.01388	3.1
62.31038	0.6
63.97917	0.6
78.95899	1.8
79.95712	0.6
83.78595	0.7
85.66120	0.7
89.02413	0.6
91.03994	10.8
92.23103	0.9
99.08131	6.3
127.11288	5.2
139.11307	14.7
157.12344	1.8
171.10260	43.7
178.45461	0.7
183.13899	3.4
193.12231	0.9
197.02235	1.7
211.13399	23.4
229.14442	15.8
293.21246	1.3
311.22272	9.8
329.23373	100.0
403.18991	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00418	0.8
55.01877	11.6
59.01392	1.5
71.01378	2.1
75.00869	12.1
80.29858	0.8
85.02940	1.8
89.02445	1.0
92.23031	1.1
99.00862	8.2
101.02428	1.7
129.01944	16.4
147.02989	17.3
255.23309	100.0
343.26645	1.2
374.21872	1.1
403.22079	1.8
403.26843	36.0
413.43500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01378	2.9
63.65430	0.5
71.01385	1.4
72.99316	0.9
73.02940	0.6
75.00865	11.2
78.95842	0.5
85.02941	3.0
99.00871	4.5
114.10603	0.6
129.01936	5.6
147.03015	8.1
165.04097	0.8
255.23300	100.0
345.25958	0.6
392.29306	0.7
403.27036	52.4
407.42862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64580	0.7
58.82223	0.7
59.01382	100.0
66.31843	0.7
66.42802	0.8
69.92564	1.0
73.99355	0.7
74.21677	0.7
74.71109	0.9
255.23389	1.1
300.74457	1.0
326.46216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2858
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
52.77415	0.6
63.86128	0.6
107.97554	0.6
117.74652	0.7
133.02951	3.7
134.03735	7.0
135.04552	9.4
137.02429	3.2
161.02444	15.9
161.03687	1.2
178.02751	0.9
179.03484	8.5
403.28568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
63.37563	1.0
72.99304	2.2
92.22511	1.6
97.06566	5.5
125.06078	71.0
143.07130	84.4
179.37646	1.3
188.17296	1.0
206.32712	1.0
255.23407	1.4
272.30582	1.2
277.21744	100.0
328.18317	1.1
403.14612	1.8
403.28503	21.2
403.32419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73587	1.5
59.01381	100.0
80.00326	1.6
92.12152	1.6
100.46828	2.0
160.07233	1.8
313.34274	1.9
321.02707	2.2
380.53647	1.8
403.26453	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01574	0.5
58.50518	0.5
59.01399	0.6
72.33200	0.6
111.08160	1.2
113.09701	1.2
141.09268	0.8
143.10715	0.9
152.08578	0.6
155.14404	3.2
157.08665	3.4
181.12386	2.8
183.13852	0.6
185.15469	4.1
187.09761	10.7
195.00648	0.7
195.17610	1.0
199.13399	5.3
217.14420	1.5
349.27414	1.0
367.28589	1.2
383.28125	0.9
385.29660	10.5
401.29041	13.8
403.30682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66858	3.3
59.01382	100.0
98.62509	3.2
102.58568	3.6
102.68129	3.3
150.74483	3.5
159.51717	3.9
188.27124	4.1
228.95772	4.4
366.88141	4.0
403.26300	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76328	0.7
57.94207	0.7
74.02467	1.1
76.02489	0.6
79.37610	0.7
79.98112	4.1
87.73437	0.7
88.03465	0.7
88.15671	0.8
88.96613	0.7
92.71784	0.7
96.95370	1.4
96.96004	42.1
97.35856	0.7
99.05644	2.7
105.99683	6.0
128.03537	7.4
143.04630	11.0
146.08231	24.9
160.00659	1.0
177.03384	20.3
181.01738	8.7
182.04665	1.1
194.06015	4.2
210.08914	1.2
217.09987	1.1
217.11934	23.9
242.48955	0.8
272.08969	1.1
306.07782	6.6
323.09094	0.9
324.12396	13.2
338.89944	0.8
355.18640	0.8
404.07953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70188	0.4
58.98505	0.3
59.73241	0.4
61.98832	100.0
67.10561	0.4
68.07384	0.4
69.15595	0.4
77.07917	0.4
92.26434	0.4
128.99550	0.4
135.06441	0.4
142.68393	0.4
153.05833	0.4
162.00920	0.5
191.05637	7.2
192.06024	6.9
311.79300	0.5
320.17352	0.4
404.10617	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51273	2.1
58.02984	8.2
59.01398	17.3
71.01368	2.8
74.02478	25.6
83.61997	2.2
86.02490	11.7
96.35747	2.8
99.05634	22.5
101.02364	3.0
103.51634	2.6
115.00365	3.2
115.04007	10.3
125.03556	3.8
128.03534	63.7
131.71167	2.5
133.01427	14.0
135.05670	5.0
137.47147	2.1
141.06639	4.1
141.79369	2.6
143.04620	100.0
146.04590	9.6
153.06740	9.3
155.08215	3.0
160.00734	15.9
166.09804	4.3
167.04666	5.2
177.03363	5.4
179.04620	19.7
210.08821	17.9
242.07707	3.1
254.07820	14.4
272.08853	24.1
288.06598	5.9
290.91660	2.5
306.07681	89.4
404.11453	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.3
60.49902	1.8
61.98817	2.2
74.02473	26.2
85.59850	1.7
86.02478	7.7
87.05655	2.0
98.02464	2.3
99.05643	19.9
109.04047	2.3
109.07698	1.9
112.04033	2.3
113.02432	4.6
125.03558	2.7
127.05135	2.9
128.03543	61.8
131.01718	2.1
132.85759	1.6
135.05658	1.9
141.06718	8.2
143.04634	97.5
144.03012	4.3
145.06085	2.2
146.04610	7.5
153.06741	8.6
160.00723	14.5
162.74443	2.1
166.09976	4.1
167.04666	7.4
167.08197	7.2
177.03381	4.4
179.04663	16.5
182.04597	7.1
196.87396	2.1
210.08879	16.5
254.07860	11.7
272.08859	30.1
288.06616	7.5
306.04196	3.2
306.07706	100.0
404.11441	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04803	1.7
57.03454	2.6
58.09998	2.0
59.01104	4.2
59.01382	95.8
61.58571	1.9
70.02973	2.2
71.01369	12.2
75.60433	1.7
81.02234	2.6
82.02980	22.6
84.00932	1.9
84.04531	2.0
85.02961	5.5
89.02429	15.8
97.02948	31.1
100.04026	3.0
101.02441	11.2
112.04046	35.2
115.04004	100.0
119.03493	3.4
124.04038	15.6
126.01947	13.7
153.15092	2.3
157.57520	2.4
168.31097	2.8
202.41905	2.7
245.91519	2.5
291.68076	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82062	12.0
54.98793	12.4
56.73175	11.4
57.32385	11.2
71.01373	31.1
78.39792	14.6
101.02441	22.3
114.07750	14.2
121.79848	13.9
161.04573	22.0
263.11453	100.0
304.65854	14.3
312.25195	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63789	5.7
57.76230	6.2
59.01374	12.9
71.01381	14.7
73.02934	8.2
79.22018	6.2
79.52712	6.5
83.05103	8.0
89.02442	14.9
89.58125	7.6
101.02457	36.2
146.97284	8.0
159.77763	7.3
161.04597	8.4
186.99121	7.0
263.11423	100.0
285.37613	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	100.0
69.58990	11.8
71.01374	33.0
73.38698	12.7
74.26231	11.9
78.79587	12.9
79.59377	16.5
89.02404	16.8
93.33929	15.5
99.54185	14.2
101.02392	21.3
117.84383	13.5
126.35279	13.7
161.04536	16.2
161.99834	14.3
162.47696	15.0
192.72624	14.0
216.40263	14.2
263.11456	22.8
274.28885	13.8
318.27109	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
72.00698	16.3
75.31290	15.5
91.61128	15.3
97.02934	18.0
220.45566	20.2
404.19763	33.5
429.48965	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.93623	1.4
71.00956	1.3
71.35816	1.2
75.37185	1.2
84.17424	1.4
93.29446	1.2
104.60642	1.5
110.79230	1.5
120.02110	1.5
129.01936	2.4
147.03079	1.4
166.36638	1.4
216.69652	1.3
253.21692	10.8
255.23242	3.2
256.23608	22.9
328.57751	1.3
341.23190	2.4
404.27402	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49443	0.8
54.95705	0.7
55.32861	0.7
58.00601	0.7
59.01376	1.1
63.99681	0.7
68.05060	3.8
74.02477	9.7
74.65111	0.9
86.02500	0.9
86.06111	1.7
98.06168	1.0
100.04050	5.9
109.55908	0.9
116.03574	1.7
118.05114	7.2
120.32030	0.8
130.05084	4.8
139.87938	0.9
225.22238	16.6
253.21693	5.2
255.23300	23.8
276.26953	1.6
294.28339	1.1
303.91528	0.9
356.28149	9.7
374.29126	27.8
404.30240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.07814	1.0
61.98842	1.3
66.02991	1.3
81.88308	1.2
99.92580	51.3
100.93349	20.7
104.55936	1.1
115.92068	20.0
116.92852	100.0
135.08176	2.0
230.67183	1.2
252.33961	1.1
267.03403	2.4
276.17310	4.9
322.58292	1.4
339.69571	1.3
348.06760	2.8
387.09418	1.9
405.10162	94.2
405.23065	2.3
415.27744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31366	0.3
51.95004	0.3
62.53531	0.3
85.02940	3.7
87.00863	0.6
93.03446	0.6
127.04002	0.7
137.19510	0.3
162.00554	0.4
173.04521	0.5
191.05637	100.0
192.06026	0.5
193.06049	2.2
195.12796	0.4
231.03616	0.8
241.99908	0.4
405.10245	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70338	0.9
53.27070	1.0
59.01380	24.0
60.24561	0.9
65.03967	1.2
70.02981	1.4
71.01376	15.4
72.99291	1.2
73.02950	2.5
79.78709	1.1
85.02950	8.6
87.00867	10.9
89.02437	18.0
92.22582	2.1
94.98109	1.3
95.02510	1.5
96.96964	2.2
97.39839	1.2
101.02440	22.4
101.21746	1.2
111.00874	29.6
111.01984	2.9
113.02418	5.7
113.03575	29.5
114.01971	16.1
119.03523	8.9
129.01936	4.8
131.04620	100.0
136.17374	1.0
151.03995	1.7
153.01910	2.0
161.04637	4.1
164.81255	1.2
177.01944	39.1
179.05595	6.0
181.07161	2.4
191.05626	4.8
192.04257	19.4
203.06749	17.2
207.06627	5.5
210.05487	2.0
225.07808	1.3
289.05682	6.0
293.09979	14.6
355.90152	1.5
358.64941	1.3
369.14081	6.1
387.13144	5.4
393.18292	1.3
405.11282	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14284	2.3
59.01378	67.9
71.01380	38.0
81.33545	2.7
85.02962	5.1
87.00863	3.1
89.02435	63.4
101.02444	24.4
109.35495	2.7
113.02427	17.3
119.03498	16.9
128.03577	5.7
143.03607	3.2
143.04651	12.4
145.06111	5.4
177.01933	100.0
179.05585	16.8
192.04286	54.1
207.06633	6.7
210.05276	6.3
225.07736	12.1
237.22026	3.0
295.24838	3.3
306.07681	4.7
307.07834	5.0
311.40851	3.4
334.02747	3.1
387.12930	35.0
405.11551	14.1
415.95032	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.19068	1.4
69.37745	1.4
71.01377	6.8
85.02956	2.6
90.12968	1.7
95.72717	1.7
101.02443	3.8
103.84957	1.4
113.02410	6.7
128.29791	1.5
153.01926	16.0
161.04570	18.2
168.04279	49.3
181.28360	2.0
183.06656	24.4
190.80467	1.8
205.03529	1.6
258.24518	1.6
324.19357	1.7
345.11716	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18620	1.2
53.25460	1.3
56.88876	1.2
59.01380	68.2
63.50584	1.0
68.02415	1.2
71.01375	33.8
73.02956	1.2
83.01361	1.3
85.02949	8.1
85.36991	1.2
87.00864	5.3
89.02434	43.9
95.01414	1.6
100.09332	1.4
101.02435	24.1
113.02422	17.6
119.03492	20.4
131.03482	1.9
143.03491	2.0
149.02371	2.3
156.68541	1.3
160.01701	2.1
161.04591	3.0
175.04057	1.4
177.01929	100.0
179.05608	13.7
191.01926	1.7
191.03433	1.9
192.04298	44.6
195.02927	1.9
207.06613	11.9
210.05394	8.8
225.07693	8.6
248.71393	1.6
277.05249	1.5
332.39624	1.6
369.56412	1.5
387.12979	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26638	0.3
53.61793	0.5
59.01378	4.3
63.08094	0.4
67.02452	0.4
68.18668	0.4
71.01379	2.0
73.02932	2.5
74.02468	0.6
82.02986	0.9
84.04537	0.9
89.02438	2.0
96.96007	0.7
96.96941	0.5
101.02433	15.0
101.07163	0.5
109.04045	4.1
110.98516	0.7
113.02463	0.9
115.04004	0.8
125.03567	2.4
127.05126	16.0
128.03514	7.4
129.35744	0.5
131.04608	0.8
143.04662	0.7
145.06186	100.0
177.01938	4.0
179.05557	0.8
187.07225	2.2
190.54970	0.4
192.04292	2.2
217.08311	18.9
316.22296	0.5
361.06058	0.6
405.08130	0.8
405.15591	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94056	2.7
59.01387	4.0
60.19496	2.8
61.15999	3.2
68.99826	5.8
75.45056	3.3
83.04328	3.6
104.14914	3.0
108.02159	7.6
109.02892	4.5
123.00898	4.9
123.04511	5.7
138.03238	5.7
150.03201	17.4
160.05367	4.6
161.02443	7.9
163.04007	15.1
164.04767	3.9
175.07643	20.9
177.05557	72.4
178.02704	27.8
178.06297	6.7
179.03421	4.7
181.05093	4.2
192.08055	3.6
193.05064	61.2
194.05823	7.4
196.07433	8.8
290.32407	3.9
329.13968	51.1
405.15640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63690	1.0
59.01383	14.0
64.14693	1.1
68.99807	2.4
97.07575	1.1
103.76699	1.3
107.01387	1.3
123.00869	2.1
123.04471	1.9
125.02416	6.6
135.04514	2.7
136.05255	5.3
138.03206	11.7
139.00345	1.9
151.00392	2.1
151.04024	1.8
153.01982	2.4
153.05562	14.0
165.01860	4.8
166.06351	13.2
168.04230	1.9
176.01178	9.7
178.02742	1.6
179.03397	1.4
180.04257	5.4
181.08708	7.7
190.47235	1.2
191.03528	14.2
192.04285	4.5
193.01408	21.1
193.05055	6.1
194.02200	1.8
195.06641	33.8
204.84630	1.2
207.06650	24.9
208.03775	38.5
209.04587	5.1
223.06125	26.2
240.96083	1.2
341.11493	1.9
345.09775	2.0
360.11972	1.3
375.14404	1.9
405.15582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90354	1.2
55.30003	1.2
59.01374	3.0
59.39273	1.1
63.57491	1.1
71.72083	1.1
71.86303	1.1
74.64790	1.1
85.94891	1.3
92.41611	1.2
121.02950	1.4
122.03708	1.5
123.77567	1.3
133.02931	1.8
149.02426	28.8
150.03221	82.4
161.02423	1.6
163.07584	1.4
164.04791	14.3
165.05566	100.0
176.04865	1.9
176.57033	1.3
179.03503	6.8
180.04294	8.8
194.05913	12.5
195.06653	53.7
199.93451	1.1
207.93541	1.3
209.08185	14.8
262.03085	1.4
342.11273	2.3
351.19516	1.2
357.13455	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60181	1.1
57.51761	1.0
59.01381	2.4
59.21837	1.1
61.98829	5.9
70.68941	1.0
71.01351	1.2
77.81020	1.0
79.95738	19.9
80.96510	21.4
83.04967	1.1
84.19205	1.1
84.63322	1.2
85.19955	1.1
89.02501	1.0
96.96006	41.3
109.06614	2.0
137.02478	1.1
153.53627	1.1
167.00192	87.7
184.01068	1.2
237.14888	11.3
245.19260	1.5
258.52887	1.2
281.06787	1.3
289.18112	30.5
307.19189	1.7
387.14856	11.1
405.15884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1589
Annotation	Murrastifoline B
Peak:m/z	Relative Intensity
59.01369	2.9
61.09068	1.0
61.98838	9.5
63.68459	1.0
68.78029	1.4
71.01359	1.3
73.14671	1.2
79.95740	21.5
80.96514	18.1
83.05036	1.2
95.16268	1.2
96.95376	2.1
96.96004	55.4
118.08054	1.1
137.61736	1.2
155.13675	1.0
167.00198	26.7
169.18625	1.1
199.09715	1.5
201.11356	6.2
207.03244	2.6
225.48985	1.4
237.14932	10.2
281.07019	19.0
289.18118	22.4
307.18799	2.0
369.19559	1.3
387.14859	6.6
405.15872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1741
Annotation	BRL15572
Peak:m/z	Relative Intensity
51.35428	1.1
74.78224	1.1
75.40130	1.2
84.93874	8.2
99.92580	82.6
100.93345	22.5
115.92075	25.0
116.92851	90.8
119.01711	1.1
130.68753	1.2
168.88802	1.1
176.17699	1.2
184.42076	1.2
305.24997	1.2
387.16290	2.2
405.17422	100.0
419.15295	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01187	1.1
51.49643	1.0
52.63540	1.2
56.92337	1.4
59.01382	100.0
59.03246	1.1
71.01374	11.8
72.99311	2.4
75.00864	1.9
76.24126	1.4
85.02955	2.3
89.02430	14.2
101.02457	7.2
113.02445	7.5
119.03484	5.4
120.66598	1.3
121.10221	7.4
127.40022	1.1
161.04567	1.7
165.05569	5.2
179.05643	2.7
183.10332	2.1
195.06593	1.6
242.08154	1.7
345.15497	18.8
357.13315	1.9
401.56097	1.5
405.17694	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01187	1.1
51.49643	1.0
52.63540	1.2
56.92337	1.4
59.01382	100.0
59.03246	1.1
71.01374	11.8
72.99311	2.4
75.00864	1.9
76.24126	1.4
85.02955	2.3
89.02430	14.2
101.02457	7.2
113.02445	7.5
119.03484	5.4
120.66598	1.3
121.10221	7.4
127.40022	1.1
161.04567	1.7
165.05569	5.2
179.05643	2.7
183.10332	2.1
195.06593	1.6
242.08154	1.7
345.15497	18.8
357.13315	1.9
401.56097	1.5
405.17694	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15315	0.9
55.25261	0.8
55.35106	0.8
59.01384	9.1
63.05917	1.2
71.01368	4.4
73.02954	1.7
75.34196	1.0
83.44477	0.9
89.02425	3.6
99.00864	9.0
101.02417	10.5
105.62087	0.9
109.89649	1.1
113.02439	1.8
119.03479	1.5
161.04643	1.1
167.88689	1.1
181.12369	13.9
199.13461	6.5
207.10318	12.0
223.13435	9.0
225.11339	74.2
243.12376	100.0
267.12469	1.6
267.45493	1.1
315.14435	7.1
339.78995	1.0
345.15463	2.1
405.17438	25.6
405.25519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87959	2.0
52.89532	2.2
59.01377	54.4
71.01386	4.1
74.99087	2.3
98.24176	2.1
101.02431	8.6
125.70185	2.0
139.11292	35.6
142.53545	2.4
181.12335	38.3
183.10287	54.6
199.13399	13.8
207.10258	7.8
225.11386	38.4
239.13046	2.9
243.12372	100.0
257.13971	4.4
285.13495	36.9
315.14572	5.6
345.15598	54.3
405.12607	4.2
405.17557	68.6
405.22015	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.1
59.01383	25.2
60.30112	0.7
63.11474	0.7
71.01374	13.7
73.02956	1.1
83.25439	0.8
85.02946	1.4
89.02432	15.8
92.23174	1.1
97.99389	0.9
101.02430	8.9
113.02443	5.1
119.03485	4.7
163.11273	5.8
181.12352	37.2
207.10400	1.3
221.63470	0.9
224.42946	0.8
225.11314	52.5
386.89185	0.9
405.17685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2052
Annotation	Zoamide D
Peak:m/z	Relative Intensity
52.67344	0.8
59.01395	0.8
72.83769	0.9
78.95459	2.1
78.95905	42.6
82.71147	0.9
96.96952	5.7
102.15736	1.0
112.56291	1.0
152.99590	100.0
171.00645	3.7
180.06122	0.8
186.54790	1.1
251.20114	2.0
405.13107	1.1
405.14282	1.3
405.20490	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
62.34438	0.5
62.85586	0.5
66.38394	0.5
76.05326	0.5
78.95901	26.9
79.40746	0.5
96.95977	0.8
96.96961	5.2
101.79675	0.6
135.37866	0.5
145.55428	0.6
152.99585	100.0
171.00656	4.2
173.98926	0.6
251.20172	2.1
345.58615	0.7
405.20349	18.2
410.65366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.205
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
59.01377	1.3
69.28663	0.6
78.95905	41.9
83.13368	0.8
88.35072	0.6
96.96017	1.1
96.96952	4.3
97.74056	0.6
111.39014	0.6
148.87622	0.9
150.98050	1.2
152.99590	100.0
171.00644	1.7
251.20230	3.3
405.20407	32.3
424.11447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47396	18.5
61.98815	27.9
74.30736	22.7
87.76416	21.8
96.96017	100.0
97.15321	22.2
105.89423	21.1
130.15924	23.1
149.83823	24.9
250.73230	24.7
405.24164	27.9
411.14261	22.2
423.41092	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2075
Annotation	(-)-(2R)-8-Geranylpinostrobin
Peak:m/z	Relative Intensity
59.08112	0.6
64.66752	0.5
82.33439	0.6
100.00142	0.8
136.98830	0.6
144.05785	0.8
159.25761	0.6
169.96481	0.6
186.18428	0.8
229.05067	3.5
231.06676	0.9
243.06606	5.6
254.05859	0.8
258.12723	0.7
267.06689	0.8
275.10968	0.7
279.06549	0.8
285.11465	1.6
301.14307	5.1
320.10550	1.1
321.11444	0.8
335.12915	20.8
337.14297	1.5
347.12903	14.6
361.14453	0.9
375.16245	0.8
387.19995	0.9
389.17056	0.7
405.20764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2076
Annotation	Panduratin A
Peak:m/z	Relative Intensity
53.91835	1.5
95.01333	1.2
137.02386	1.5
138.03221	15.4
139.00418	2.2
155.95384	1.8
165.01976	2.1
166.02713	79.1
166.04131	2.9
168.72780	1.3
219.77538	1.4
269.08249	4.9
317.11697	6.4
321.11288	3.3
405.20715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
56.04802	1.3
63.72862	1.2
64.31986	1.4
64.48448	1.2
65.03967	35.9
70.26016	1.2
71.05019	24.0
75.93781	1.6
79.69543	1.4
83.05036	1.4
96.27132	1.5
96.86644	1.4
97.06589	52.1
119.08666	7.8
121.06581	59.4
121.07446	2.4
123.08117	2.1
125.09715	41.4
137.09741	5.6
141.12900	2.3
175.52313	1.5
177.26015	1.5
185.11838	57.7
204.46027	1.9
209.11884	22.6
211.13434	25.9
217.12408	2.4
235.13387	54.3
249.15027	1.6
273.78519	1.6
284.74478	1.5
289.18100	18.9
307.19186	100.0
312.34149	1.6
405.22787	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
58.37403	0.5
59.01381	1.3
68.08881	0.6
72.53905	0.6
76.30884	0.6
78.95893	0.7
81.25278	0.5
109.09816	0.6
112.96851	0.6
144.32335	0.6
152.99582	13.5
168.07071	0.6
190.38882	0.7
269.24878	100.0
336.05612	0.6
367.23376	0.6
405.24161	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57604	46.1
58.84588	42.4
60.67487	47.1
61.98830	100.0
70.46742	55.8
111.67699	54.2
114.70876	50.2
124.99622	53.7
178.66261	49.4
332.14868	55.8
401.08658	66.8
405.23944	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41748	89.5
55.76199	84.2
147.65573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	78.7
61.98840	100.0
63.40563	57.8
77.50519	65.0
84.65559	55.5
89.02448	88.7
92.36069	66.2
94.89130	64.8
152.99554	72.0
191.21718	81.1
200.35387	78.5
200.40399	69.6
215.50058	74.8
263.59317	71.3
291.48218	74.8
315.19467	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83373	0.4
55.09668	0.4
55.99977	0.3
59.01387	0.8
60.33644	0.4
78.95906	0.5
83.07755	0.4
92.22468	0.5
96.33508	0.4
101.76292	0.4
122.94837	0.4
152.99576	13.9
209.26408	0.4
236.69431	0.4
269.24884	100.0
297.23358	0.5
405.18655	1.0
405.24133	29.8
405.29752	1.1
427.08536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
59.01381	8.4
71.01373	6.3
71.53539	0.5
73.02939	2.4
83.01380	1.3
83.97662	0.6
85.02953	3.3
87.00862	1.0
89.02442	2.8
96.96063	0.7
101.02424	7.4
111.52608	0.7
113.02439	2.8
125.90152	0.6
128.37508	0.6
133.39532	0.7
204.02283	0.7
243.19673	30.5
387.23849	2.5
405.24997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34509	0.6
59.26597	0.6
60.24927	0.7
61.98832	100.0
87.00861	3.6
92.22550	0.9
93.03455	3.1
96.46367	0.6
100.04070	0.6
104.43394	0.6
111.04513	0.6
137.02373	2.5
147.46709	0.7
155.03470	3.1
175.69746	0.7
247.86943	0.6
256.87045	0.6
257.83313	0.7
301.92871	0.7
405.26410	1.1
405.30630	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2649
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.35452	0.8
60.07830	0.9
61.48805	0.9
72.62656	0.9
93.03441	2.1
108.62911	1.2
117.98834	1.1
121.02951	30.2
123.04563	7.1
127.59301	1.0
139.04022	18.0
140.25064	1.0
149.02449	24.1
164.02313	0.9
167.03508	35.4
255.23331	62.5
279.23975	1.1
379.82065	1.2
405.26462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
68.20164	0.8
96.96009	18.8
96.96592	1.0
105.97350	0.8
135.08208	0.8
157.12563	0.8
195.13960	0.9
206.84296	0.7
213.14970	13.5
214.98561	0.9
239.16531	6.3
315.26913	3.8
325.25504	4.4
333.27994	1.0
341.24936	1.9
343.26456	5.7
351.23572	1.1
359.25964	3.2
361.27493	1.0
369.24478	3.1
387.25253	5.5
405.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.8
68.41801	0.7
69.10311	1.0
79.10904	0.7
155.10780	1.0
157.12285	1.0
163.04350	0.9
217.16156	1.1
231.17570	4.8
247.13463	5.3
313.25696	1.7
325.25381	13.4
325.65506	0.9
343.26498	1.6
359.26221	1.2
369.24475	5.3
387.25296	6.6
405.26535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
63.55677	0.6
83.05014	0.9
85.06586	20.5
92.23148	1.4
95.20757	0.7
101.02432	0.7
111.04513	10.8
120.77319	0.7
129.05582	100.0
183.13889	1.7
185.11827	1.5
220.31673	0.7
275.20163	4.7
279.95758	0.7
293.21262	6.9
387.29166	8.3
405.25714	5.3
405.30865	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50324	0.7
55.85811	0.6
59.56985	0.7
59.77346	0.7
71.63316	0.8
83.05009	1.0
85.06582	21.8
89.50228	0.8
111.04525	11.1
129.05573	100.0
275.20163	4.8
293.21298	9.6
405.26453	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2652
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
59.01389	1.9
63.49334	1.3
63.59802	1.3
71.01356	1.5
81.49142	1.4
84.47314	1.5
84.80631	1.6
152.06290	1.6
239.16576	2.3
241.18114	3.2
310.18494	1.8
315.26886	2.4
325.25452	1.9
341.24814	2.6
343.26428	3.5
359.25552	2.3
361.27661	3.7
369.24237	2.2
387.25555	2.5
396.60886	2.2
405.26498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37722	0.8
56.18050	0.8
58.02988	7.8
63.32597	0.8
65.51682	0.9
71.36992	0.7
72.67123	0.8
74.66899	0.9
78.95918	7.7
83.06165	1.3
84.04539	1.8
96.95966	1.3
96.96947	0.9
99.50072	0.9
101.07192	7.8
109.04049	6.7
125.07206	3.9
127.05130	37.6
128.03517	7.9
137.07185	1.1
145.06198	35.5
149.07883	1.0
195.85489	1.0
216.96959	0.9
218.21600	0.9
233.22676	1.2
284.90900	0.9
343.27582	8.3
361.27890	1.8
365.00186	0.9
387.26392	3.1
399.31879	0.9
405.27585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43838	1.9
79.79810	1.8
82.28790	2.1
97.73237	2.1
99.08144	10.0
101.83113	2.2
127.07662	19.5
145.08704	75.4
168.77574	2.0
172.34282	2.5
277.21753	100.0
405.29977	18.6
418.21371	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05378	0.7
65.52151	0.8
69.67101	0.8
72.99303	2.4
74.02027	0.9
74.25239	0.9
84.60249	0.9
97.06582	3.8
110.90128	0.9
125.06080	67.2
143.07137	71.7
263.96652	1.0
279.23318	100.0
357.40970	1.1
405.30228	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00179	0.8
59.01376	1.8
63.77790	0.9
70.99521	0.8
79.62931	0.9
82.02995	0.9
89.02435	1.4
101.02426	10.1
102.05609	28.4
108.35576	1.0
128.03539	81.3
143.04655	1.0
144.06668	1.1
145.06221	2.1
146.04597	100.0
148.66264	0.9
178.02248	1.2
193.04871	0.9
200.05702	9.5
201.15480	1.0
218.06731	12.1
366.59473	1.1
388.12830	5.6
406.13583	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1877
Annotation	Ligularidine
Peak:m/z	Relative Intensity
50.41051	0.9
51.92155	1.1
61.98835	14.6
74.02459	5.9
75.35792	1.1
79.65684	1.3
81.15192	1.3
93.03432	1.9
96.96033	2.4
98.02458	10.5
104.33990	1.3
119.05034	6.2
125.09746	2.0
163.04025	11.5
172.29836	1.2
180.06683	85.3
180.13983	2.5
181.12395	9.9
207.10277	20.0
224.12935	2.2
225.11349	21.1
244.09781	11.3
282.13635	2.8
293.58484	1.3
297.02524	1.2
340.86288	1.2
344.18228	1.4
375.11823	1.2
406.18835	100.0
423.00244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2604
Annotation	Blacknidine
Peak:m/z	Relative Intensity
53.78407	0.9
59.01375	1.2
64.65930	1.1
74.02444	1.3
74.40713	1.1
84.04540	1.7
89.78069	1.0
100.07659	7.1
102.05596	55.4
128.03529	56.4
146.04568	10.1
183.89252	1.1
247.59192	1.0
277.21695	30.4
362.26910	4.5
388.24921	5.2
406.25989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	94.3
61.99149	3.5
67.73682	2.3
72.99299	24.4
75.00874	28.2
85.69046	2.9
91.72837	2.7
92.22483	3.0
95.44635	2.9
128.84654	2.6
212.18524	2.5
343.28592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13053	1.3
54.01771	1.3
54.95600	1.5
57.08998	1.5
59.01387	100.0
76.93189	1.5
78.17269	1.4
86.31892	1.9
88.04052	2.1
88.90412	1.6
97.22643	1.8
106.95440	2.1
134.14729	1.5
166.78447	1.8
218.83823	1.8
239.65927	1.8
246.07304	1.8
263.86829	2.0
270.25290	6.9
299.09155	2.1
406.24536	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2967
Annotation	Cassaidine
Peak:m/z	Relative Intensity
50.17904	0.3
53.90313	0.3
63.66250	0.4
65.71812	0.3
72.99213	0.4
109.02924	1.4
121.02946	2.3
123.04511	2.0
126.51174	0.4
135.05240	0.3
148.04051	0.7
149.04816	5.1
150.05609	19.2
190.75146	0.4
202.44650	0.4
254.24916	2.7
361.27658	0.7
370.27469	1.7
388.28629	100.0
406.29675	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.2
61.98833	100.0
67.48024	0.3
71.01369	0.5
101.02441	0.5
114.06449	0.3
115.04054	0.4
123.88912	0.3
130.18303	0.3
177.70142	0.3
187.49181	0.3
258.23758	0.3
271.09903	0.5
382.54376	0.4
407.08954	0.4
407.16296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54570	1.8
53.95462	1.5
58.50864	1.6
59.01389	21.9
61.14111	1.6
71.01392	8.1
75.00861	11.3
75.76352	1.7
78.22068	1.9
82.02998	3.3
83.98647	2.3
84.10600	1.7
89.02405	2.0
108.67892	1.9
114.18742	2.0
115.54272	2.0
116.67778	1.8
126.39677	2.0
171.10184	2.1
185.11813	11.3
209.11884	13.1
217.02469	2.8
227.12895	4.5
231.07755	8.4
243.03992	3.7
244.04828	21.4
244.09821	12.4
245.09402	2.1
245.13896	2.1
248.09401	2.4
249.05110	2.1
257.05725	10.7
258.06473	7.9
259.07251	38.1
259.10834	10.3
266.58444	2.6
269.09460	2.5
271.07233	24.5
285.08710	2.6
287.10397	63.5
288.08957	4.6
291.10147	14.9
313.08331	73.2
319.13327	2.3
327.48364	1.9
331.09323	22.9
347.17194	7.1
367.58804	1.9
375.08261	13.8
389.10059	4.1
407.11017	100.0
407.19031	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54570	1.8
53.95462	1.5
58.50864	1.6
59.01389	21.9
61.14111	1.6
71.01392	8.1
75.00861	11.3
75.76352	1.7
78.22068	1.9
82.02998	3.3
83.98647	2.3
84.10600	1.7
89.02405	2.0
108.67892	1.9
114.18742	2.0
115.54272	2.0
116.67778	1.8
126.39677	2.0
171.10184	2.1
185.11813	11.3
209.11884	13.1
217.02469	2.8
227.12895	4.5
231.07755	8.4
243.03992	3.7
244.04828	21.4
244.09821	12.4
245.09402	2.1
245.13896	2.1
248.09401	2.4
249.05110	2.1
257.05725	10.7
258.06473	7.9
259.07251	38.1
259.10834	10.3
266.58444	2.6
269.09460	2.5
271.07233	24.5
285.08710	2.6
287.10397	63.5
288.08957	4.6
291.10147	14.9
313.08331	73.2
319.13327	2.3
327.48364	1.9
331.09323	22.9
347.17194	7.1
367.58804	1.9
375.08261	13.8
389.10059	4.1
407.11017	100.0
407.19031	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54570	1.8
53.95462	1.5
58.50864	1.6
59.01389	21.9
61.14111	1.6
71.01392	8.1
75.00861	11.3
75.76352	1.7
78.22068	1.9
82.02998	3.3
83.98647	2.3
84.10600	1.7
89.02405	2.0
108.67892	1.9
114.18742	2.0
115.54272	2.0
116.67778	1.8
126.39677	2.0
171.10184	2.1
185.11813	11.3
209.11884	13.1
217.02469	2.8
227.12895	4.5
231.07755	8.4
243.03992	3.7
244.04828	21.4
244.09821	12.4
245.09402	2.1
245.13896	2.1
248.09401	2.4
249.05110	2.1
257.05725	10.7
258.06473	7.9
259.07251	38.1
259.10834	10.3
266.58444	2.6
269.09460	2.5
271.07233	24.5
285.08710	2.6
287.10397	63.5
288.08957	4.6
291.10147	14.9
313.08331	73.2
319.13327	2.3
327.48364	1.9
331.09323	22.9
347.17194	7.1
367.58804	1.9
375.08261	13.8
389.10059	4.1
407.11017	100.0
407.19031	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1168
Annotation	SR-Podolactone D
Peak:m/z	Relative Intensity
55.26165	1.7
62.83692	1.4
78.95906	8.8
83.53836	1.7
84.93849	3.3
92.22507	3.7
96.96008	3.2
96.96957	1.8
99.92583	28.2
100.93356	34.0
115.92065	46.7
116.92844	51.7
134.11928	1.8
147.76022	2.1
152.99561	42.5
203.74043	1.9
262.58533	1.9
318.09457	2.2
345.11563	12.0
359.09543	3.6
377.10571	2.1
389.10760	24.0
407.11728	100.0
407.22174	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	1.7
59.01369	1.5
61.98808	1.0
70.02982	3.5
84.93874	2.1
96.00947	7.6
96.96952	1.0
97.06579	0.9
99.92580	47.8
100.93368	29.5
114.01968	6.3
115.92067	42.2
116.07199	3.0
116.92850	100.0
121.96006	0.9
131.04652	2.0
169.06667	0.9
171.10321	1.2
185.11838	0.9
185.43279	1.0
255.24683	0.9
332.07587	1.2
333.04468	1.0
349.07404	1.0
360.96677	1.0
371.09711	1.8
385.07684	3.2
389.10681	12.8
403.08621	4.7
407.11734	99.1
407.25577	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98826	1.6
62.86526	1.3
70.02986	1.9
74.10034	1.5
83.51358	1.6
84.93853	2.6
96.00905	10.3
96.95979	1.4
99.92579	85.4
100.93354	34.0
101.62489	1.4
109.00121	1.5
114.01946	5.8
115.92072	53.6
116.07182	1.7
116.69461	1.7
116.92851	100.0
118.66537	1.6
122.88602	1.4
131.04681	2.5
154.23164	1.5
182.15532	2.6
305.21542	1.7
310.20352	1.8
348.06769	6.9
353.08475	2.3
371.09534	9.6
385.07507	7.2
389.10681	41.8
403.08563	12.1
407.11819	44.8
407.20605	3.4
407.25433	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	2.1
59.01379	60.3
67.01874	1.9
70.12578	1.5
70.29698	1.4
71.01378	25.5
73.02970	2.2
73.98586	1.7
74.73585	1.6
82.88757	1.6
85.02959	7.3
89.02435	41.0
97.66735	1.6
101.02445	21.0
111.00874	88.8
113.02457	15.4
119.03493	15.8
129.02029	1.6
135.52213	1.9
197.33517	1.8
293.48383	1.8
295.10373	100.0
347.17087	7.7
378.38062	2.4
407.11954	12.0
407.19199	18.6
427.48145	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1349
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
51.71687	1.4
59.01380	32.8
70.26810	1.7
71.01376	2.7
83.59815	1.8
87.00882	2.4
89.02431	3.8
90.29843	1.7
100.01746	2.1
101.02443	4.6
115.03954	2.1
116.24847	2.0
121.02971	2.5
123.04536	1.9
134.03729	17.7
136.01648	42.4
149.02414	4.5
149.06099	21.7
150.03210	28.7
151.04004	100.0
165.05556	62.2
181.05095	4.6
195.06621	10.6
252.04279	2.5
255.06529	2.5
259.39563	2.1
282.09045	2.7
284.06989	9.9
299.09357	9.9
359.11356	8.5
373.17065	2.2
407.13599	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1352
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
59.01384	22.7
71.01377	2.7
78.97100	1.3
80.04263	1.3
81.17130	1.3
89.02460	2.3
99.00884	1.4
101.02446	3.1
113.02434	15.5
117.57148	1.3
121.02935	2.1
134.03748	17.7
135.04521	2.0
136.01669	37.3
149.02441	2.9
149.06055	23.9
150.03214	24.5
151.04008	100.0
164.04791	3.2
165.05579	48.8
180.04297	2.9
181.05069	9.0
193.05060	3.1
195.06674	12.5
211.05998	1.8
236.04709	2.3
252.04239	2.2
267.06674	3.1
280.97208	1.6
282.09048	3.0
284.06885	12.7
299.09271	12.3
341.10333	2.7
347.17145	2.6
359.11276	10.2
407.13553	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71687	1.4
59.01380	32.8
70.26810	1.7
71.01376	2.7
83.59815	1.8
87.00882	2.4
89.02431	3.8
90.29843	1.7
100.01746	2.1
101.02443	4.6
115.03954	2.1
116.24847	2.0
121.02971	2.5
123.04536	1.9
134.03729	17.7
136.01648	42.4
149.02414	4.5
149.06099	21.7
150.03210	28.7
151.04004	100.0
165.05556	62.2
181.05095	4.6
195.06621	10.6
252.04279	2.5
255.06529	2.5
259.39563	2.1
282.09045	2.7
284.06989	9.9
299.09357	9.9
359.11356	8.5
373.17065	2.2
407.13599	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89542	4.4
51.12175	3.9
51.21833	3.8
59.01382	9.6
60.81864	4.6
71.01384	26.4
73.02941	8.5
77.52279	4.9
80.39477	5.7
85.02954	12.0
89.02442	5.6
97.81188	4.8
101.02449	26.4
111.93845	5.1
113.02477	6.0
123.79395	4.9
151.03990	12.4
159.02985	7.6
161.04535	6.5
165.05591	9.7
191.05611	38.6
202.18617	5.5
263.08707	8.8
263.11346	100.0
279.59006	5.6
342.70258	5.4
371.06802	6.5
396.47913	5.6
403.66299	6.4
407.15085	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.1
59.01102	4.2
59.01383	100.0
59.01686	3.3
64.12511	1.8
71.01382	22.6
73.02950	11.2
78.11966	2.1
79.87946	2.1
82.89480	2.1
85.02943	12.1
89.02438	4.9
95.63808	2.0
99.00829	2.5
99.04530	17.5
101.02453	22.5
111.77989	2.2
113.02453	14.2
125.02456	4.4
136.70123	2.2
150.03258	3.0
151.04013	7.8
151.23212	2.0
159.02924	2.5
161.04550	20.1
165.05652	8.1
171.98427	2.4
195.06717	3.0
198.98427	4.2
249.09833	42.0
263.11447	4.4
305.12756	2.4
306.19687	2.3
356.58856	2.4
407.00403	3.1
407.15576	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	36.4
70.75084	5.2
71.01389	14.3
89.02440	13.0
101.02438	13.4
112.17923	6.6
113.02410	8.1
116.86657	7.6
154.21773	6.2
156.15485	5.5
168.45345	6.7
222.21407	5.7
231.95906	6.7
263.11392	100.0
367.78232	7.6
373.84882	6.4
407.15424	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.9
59.01382	100.0
71.01382	42.8
73.02969	4.9
73.78149	2.9
85.02957	5.9
89.02438	54.7
97.06579	3.7
101.02435	27.1
113.02443	19.8
115.07656	7.0
115.91792	3.0
119.03501	16.3
129.89330	3.1
142.97133	3.6
160.26437	3.6
161.04616	7.9
179.05649	24.6
236.44128	3.8
263.11401	12.7
324.54230	3.6
347.17191	66.9
354.30478	3.3
355.12967	3.2
407.15417	17.5
407.19528	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72590	1.7
59.01103	4.2
59.01382	87.5
61.52483	1.7
68.02164	1.7
71.01379	28.1
71.04981	1.8
72.99297	5.0
73.02951	4.5
73.41589	2.0
78.26972	2.0
85.02946	8.2
87.76562	1.8
89.02441	22.3
101.02428	27.5
103.19496	2.0
113.02435	12.6
115.53090	2.0
116.90328	2.2
119.03488	4.9
130.64474	1.9
137.71320	2.0
161.04549	2.8
176.63960	2.1
179.05576	8.2
347.17068	14.9
407.19382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47717	1.4
57.53007	1.2
58.22881	1.2
66.83818	1.1
80.24542	1.3
94.19391	1.1
99.72926	1.2
110.99220	1.2
122.03744	3.4
149.02437	58.7
150.03230	80.7
164.04819	33.0
165.05571	100.0
180.04295	10.1
181.05199	1.9
193.08687	7.2
195.06647	52.5
196.07365	3.1
197.08226	1.8
197.23628	1.4
211.09712	2.3
239.60832	1.4
289.72842	1.6
316.34631	1.8
344.12637	22.3
350.14935	1.7
359.15063	83.1
407.17099	6.0
413.90631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1716
Annotation	Piptocarphin F
Peak:m/z	Relative Intensity
59.01384	3.8
61.98832	0.5
67.11998	0.3
71.01378	0.9
79.95741	0.7
80.96505	0.5
89.02437	2.0
92.22424	0.5
96.96005	2.8
98.44792	0.4
101.02435	0.4
105.05997	0.4
110.05554	0.4
117.03458	8.8
119.03557	0.5
119.05017	3.8
145.02950	100.0
163.04002	4.5
180.55353	0.5
223.13379	0.5
407.17126	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98828	1.2
78.88682	0.9
79.39951	0.8
79.95739	18.6
80.96513	23.7
86.02470	1.1
96.95380	1.3
96.96002	35.5
129.09212	5.9
141.09236	1.6
151.03935	1.4
165.12833	1.0
185.11815	11.3
197.11873	13.0
201.11371	1.1
209.04922	6.1
209.11847	35.1
213.11282	1.3
214.92258	0.9
227.12804	1.5
291.19760	10.0
291.30832	1.1
307.08594	4.3
307.19211	1.0
308.05789	1.6
309.20700	5.9
327.21796	6.6
406.35715	1.3
407.17474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.0
64.47568	0.5
78.95895	9.0
79.95730	13.0
80.96513	0.9
85.02948	1.6
95.95240	1.5
96.96001	76.6
96.96966	2.6
97.06603	0.6
164.98672	1.1
171.10246	6.5
176.83139	0.7
176.84956	0.7
186.99522	0.6
209.11835	0.7
211.13350	8.8
218.11360	0.8
221.11829	1.0
229.14494	14.1
235.06468	2.7
236.57692	0.7
239.12895	1.0
252.03214	0.6
291.19699	1.4
309.09933	0.8
309.20822	0.7
327.21747	14.9
327.88898	0.7
407.17508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23880	6.4
52.85741	6.4
53.12295	5.8
53.18784	6.3
53.82509	6.0
54.51480	6.6
57.10675	5.8
59.01379	62.9
62.53112	6.5
65.14656	5.9
71.01389	37.2
73.39614	6.6
75.00877	13.9
85.02941	9.2
89.02438	11.9
98.57045	7.7
101.02429	17.2
106.38902	7.7
113.02454	9.9
127.13898	7.7
170.45213	8.0
171.04840	9.5
213.69974	8.2
216.82321	7.8
292.39987	7.8
297.44037	11.4
306.42731	9.5
319.22949	8.5
335.81339	8.9
347.17081	13.6
361.18860	78.6
407.19012	71.3
407.23813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36070	0.4
51.62376	0.4
54.94082	0.5
59.01388	3.9
59.13158	0.4
60.01984	0.4
66.26303	0.4
68.03484	0.4
71.01379	2.5
71.57297	0.4
72.99303	0.6
75.00868	100.0
85.02942	0.6
100.42984	0.4
101.02430	1.1
113.02462	1.0
183.65137	0.4
227.16570	0.8
239.32419	0.5
245.17618	3.8
246.71416	0.5
283.55496	0.5
344.58020	0.6
389.21774	0.9
407.23105	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47978	1.6
51.35235	1.6
56.28026	1.8
56.72474	1.6
59.01383	100.0
64.43791	1.7
71.01376	23.8
73.02937	4.2
85.02965	3.6
86.40781	2.2
89.02444	34.3
91.78611	1.8
101.02477	18.2
102.17407	1.7
113.02424	14.3
119.03515	5.0
121.66815	1.8
148.82372	2.1
161.04596	9.5
164.47435	1.8
179.05565	3.9
184.92332	1.8
213.55231	2.1
347.17111	74.3
391.04828	2.1
407.19257	11.5
429.35440	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03449	0.8
59.01384	39.6
61.22345	0.7
64.48940	0.6
65.43869	0.6
71.01379	28.0
73.02947	16.2
75.00866	4.4
83.01397	4.7
84.49119	0.6
85.02943	14.6
87.00871	1.3
89.02442	17.7
95.01367	1.3
97.02953	0.9
99.00873	9.1
101.02441	34.2
101.87196	0.7
111.00850	0.7
111.04516	0.8
113.02448	18.1
119.03472	3.1
127.03947	1.0
131.03473	1.5
149.04532	4.1
159.03062	2.5
161.04581	7.3
171.10284	2.8
181.00516	0.8
191.05522	0.7
275.15027	20.4
347.17065	0.9
407.19263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32282	1.1
59.01104	2.4
59.01384	47.1
61.24998	1.0
71.01384	27.0
73.02956	11.6
85.02940	7.6
87.00871	1.9
89.02438	47.5
99.00873	40.5
101.02439	16.9
113.02447	22.4
118.38062	1.3
119.03497	10.1
131.03499	1.9
131.58313	1.2
143.03485	1.3
149.04553	10.7
161.04587	5.8
191.05679	8.5
200.00705	1.2
233.06525	1.8
404.81937	1.5
407.19275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44439	0.9
52.01739	0.9
53.76800	0.9
57.99023	1.0
59.01381	100.0
60.04219	0.8
60.35336	0.9
61.27823	0.9
78.47712	1.1
92.88148	1.0
96.95949	1.3
99.04230	0.9
107.65496	0.9
118.01754	1.0
141.51620	1.1
148.08336	1.1
149.81355	1.1
176.52089	1.1
198.58420	1.3
207.91840	1.0
257.63638	1.1
407.15933	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2207
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.61603	0.3
59.49894	0.4
60.80216	0.4
65.77920	0.4
78.89731	0.3
78.95900	23.4
96.95997	1.0
96.96943	4.9
123.38685	0.4
128.48964	0.4
150.98048	2.1
152.99582	100.0
156.03273	0.4
171.00703	4.2
201.62112	0.4
253.21715	2.0
279.89041	0.5
282.11954	0.5
360.94699	0.5
389.68976	0.5
407.22031	25.2
433.20313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2209
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
61.98835	3.0
62.55220	0.8
78.95904	69.0
79.95708	0.8
87.04481	3.2
92.23148	0.8
96.96957	4.7
114.85722	0.8
131.03491	3.5
152.99591	100.0
156.03708	0.8
171.00650	48.6
231.38974	1.0
407.22028	36.4
430.40402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48446	0.5
61.24046	0.5
66.59793	0.5
78.95900	37.4
91.82700	0.6
92.22462	0.7
92.66891	0.6
96.71101	0.6
96.96957	4.3
132.00105	0.8
137.59512	0.6
150.97981	0.8
152.99583	100.0
171.00601	2.3
253.21736	4.3
407.22055	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37221	0.5
68.52393	0.6
78.95901	39.9
80.87285	0.5
87.76708	0.5
94.08559	0.5
96.96957	4.5
141.89462	0.6
141.98273	0.7
150.98021	0.8
152.99585	100.0
171.00644	2.4
247.63602	0.6
253.21713	3.9
330.98816	0.8
407.22083	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2207
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
60.46279	0.6
72.36363	0.6
78.95903	43.3
96.95956	2.6
96.96928	4.1
113.22649	0.7
137.03700	0.7
150.97890	1.0
151.06468	0.7
152.99590	100.0
171.00616	2.6
222.73973	0.6
253.21638	3.4
335.18204	0.9
407.16635	4.2
407.21924	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.4
68.49860	0.9
71.01388	10.1
72.54741	1.0
73.02934	2.6
73.97795	1.0
80.72088	1.1
83.01379	1.3
85.02930	5.2
89.02451	1.5
92.07616	1.0
99.00868	1.4
101.02433	11.4
111.26082	1.0
113.02443	6.2
136.34340	1.1
151.66125	1.2
171.99008	1.2
219.66452	1.1
245.17529	4.9
407.22906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.4
66.76673	0.6
71.01377	8.4
73.02950	3.7
75.00861	2.7
79.14165	0.6
83.01392	0.9
85.02933	6.2
89.02423	1.0
98.99406	0.6
99.00881	1.3
101.02435	12.1
113.02446	4.9
161.04601	1.1
185.11836	3.5
194.81570	0.6
198.10280	0.7
311.22827	0.7
338.13419	0.7
347.17004	1.5
347.20813	1.3
407.22919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58360	0.5
58.61379	0.5
58.79303	0.5
59.01384	62.4
63.81945	0.5
70.34689	0.5
71.01375	8.7
73.02949	5.0
79.28276	0.5
83.01382	1.3
85.02949	4.3
89.02428	0.8
99.00864	1.0
101.02441	11.4
103.45731	0.5
111.44932	0.5
113.02441	4.6
159.03038	0.8
161.04590	1.3
194.36711	0.6
248.34756	0.6
347.20813	3.5
349.43314	0.6
396.05667	0.8
407.22919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.7
59.32675	1.9
60.96458	1.6
61.98833	80.9
71.05009	3.1
73.66463	1.7
73.83847	2.0
83.05016	3.2
93.10313	2.1
95.19276	1.7
95.21144	1.9
152.99738	2.2
185.11932	3.2
195.13852	1.9
197.11852	2.4
273.18591	4.0
291.19675	100.0
302.80057	2.2
323.52594	2.2
376.15405	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53163	0.7
53.94958	0.7
58.89383	0.8
59.01384	100.0
60.62128	0.7
63.51225	0.9
65.91624	1.0
68.57345	0.8
71.19823	0.8
78.95924	2.1
147.02951	1.4
179.03920	1.0
234.08122	0.9
277.21872	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2444
Annotation	Dimethamine
Peak:m/z	Relative Intensity
59.01104	2.2
59.01384	41.6
59.01682	1.9
61.98841	11.5
64.69366	1.1
73.62064	1.2
77.97707	1.4
78.95918	1.3
79.06588	1.3
80.96566	1.5
88.61438	1.2
96.95995	15.2
104.15231	1.3
108.02168	6.3
116.92892	1.7
121.02951	7.1
122.03685	2.1
123.04510	23.3
167.03500	5.3
192.11694	3.2
216.31334	1.6
236.10396	1.3
239.78380	1.4
246.04773	1.3
277.84610	1.4
278.15259	60.3
294.18292	2.5
347.22266	2.4
407.17725	12.1
407.24503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2444
Annotation	Dimethamine
Peak:m/z	Relative Intensity
59.01107	1.8
59.01384	34.7
61.98822	6.6
68.28907	1.4
78.45344	1.3
83.55947	1.3
84.99923	1.4
96.95998	11.7
108.02171	5.3
121.02946	2.7
123.04554	16.9
130.85616	1.2
167.03471	2.6
171.10284	1.6
192.11557	8.5
236.10574	1.9
278.15247	55.7
294.18387	2.3
298.60870	1.6
338.17606	2.2
339.23721	1.5
407.16782	2.9
407.24420	100.0
407.29449	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	SB 311009
Peak:m/z	Relative Intensity
58.02982	10.4
59.01391	0.9
70.02975	14.0
71.02488	1.1
77.23287	0.9
78.95896	1.2
84.93085	1.1
96.00909	30.7
96.25217	0.9
110.77957	1.0
113.03553	8.6
113.09727	19.1
114.01965	31.2
115.66397	1.0
131.04634	18.1
139.11288	7.6
156.06854	0.9
177.12784	1.3
194.15562	1.6
292.22784	9.8
309.20511	1.5
389.24521	12.2
407.25555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65252	1.5
58.02984	3.7
67.28368	1.5
69.41579	1.4
70.02979	15.3
77.07934	1.4
81.31934	1.5
81.32915	1.2
96.00909	29.0
108.47439	1.5
111.65453	1.5
113.03558	10.0
114.01968	30.5
125.09692	3.5
131.04601	15.0
146.99677	1.5
149.09717	2.6
172.85614	1.6
184.13443	19.3
292.22858	11.3
309.17267	1.8
324.88699	1.5
340.14853	1.7
375.54010	1.6
389.24435	8.9
407.25552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47170	0.9
58.02977	14.1
59.48193	0.8
61.98833	6.8
69.03471	1.6
69.66477	0.9
70.02977	16.5
87.05636	1.7
87.72321	1.1
94.88448	0.8
96.00913	47.1
99.92577	5.6
100.93350	5.1
113.03561	10.8
114.01950	29.6
115.92065	4.6
116.92858	16.5
131.04626	17.9
166.73991	1.0
220.62357	1.1
222.18663	6.0
290.67709	1.0
389.10541	1.8
389.24576	4.6
407.11847	13.0
407.25513	100.0
423.45135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2554
Annotation	SB 311009
Peak:m/z	Relative Intensity
56.04068	0.8
58.02965	2.0
59.01387	2.1
61.98831	9.9
62.78603	0.7
70.02976	13.5
74.10895	0.8
78.95893	1.2
96.00912	48.8
101.43580	0.8
113.02897	0.8
113.03537	7.5
114.01968	27.0
131.04620	16.6
152.51192	1.0
204.13945	1.2
222.15031	5.9
239.25539	1.1
371.24338	1.2
389.24625	7.2
407.25549	100.0
414.85135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	SB 311009
Peak:m/z	Relative Intensity
51.16177	2.3
58.02982	4.4
59.01373	3.2
61.98834	10.9
63.42882	2.5
70.02985	13.8
79.95735	10.6
82.38342	2.6
93.95518	2.6
96.00915	49.1
100.28386	2.4
113.03600	4.5
114.01944	23.3
117.05051	2.6
121.10215	4.3
127.37717	2.4
131.04630	18.3
143.85870	3.4
154.08344	2.5
179.03839	45.7
180.90561	2.7
183.13930	18.5
227.12968	19.5
389.24222	4.5
407.11697	8.8
407.20975	5.6
407.25592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	13.2
59.01399	1.2
61.98824	4.9
62.96452	1.2
65.27798	1.1
68.66245	1.0
70.02968	20.4
86.94630	1.2
86.98243	1.1
87.05631	1.6
91.25389	1.2
92.23132	1.2
96.00907	47.0
99.92568	2.5
100.93349	1.9
113.03597	10.1
114.01954	28.4
115.92041	1.1
116.92841	6.7
131.04610	15.8
164.03586	1.2
169.08922	1.3
257.35165	1.3
274.21832	1.6
389.24496	8.3
389.98700	1.3
407.11563	2.2
407.25540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2591
Annotation	Sargachromanol P
Peak:m/z	Relative Intensity
55.02236	0.5
60.07574	0.5
72.89639	0.6
75.98237	0.5
78.95900	2.7
79.95734	0.8
99.59725	0.5
117.92894	0.6
136.99146	0.8
151.00720	2.5
152.99608	1.3
165.02261	1.0
179.03804	0.7
201.09251	0.6
226.06310	0.7
229.08696	12.8
239.07166	1.3
240.07878	0.7
241.08759	6.8
252.07872	0.9
253.08679	2.2
254.09509	2.4
255.10350	0.8
265.12521	0.6
266.09494	1.0
267.10339	2.9
267.14069	0.8
268.11111	2.7
269.11819	6.7
270.12634	5.8
280.11191	0.7
281.11887	2.8
282.12720	0.9
283.13367	5.2
284.14194	37.4
285.15024	4.9
295.13351	0.9
296.14224	2.7
323.16663	2.3
338.18884	3.8
349.21701	0.7
389.24506	0.7
392.23672	2.8
407.25961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42839	0.8
50.45388	0.8
51.79706	0.8
59.01380	2.4
59.80816	0.8
61.90594	0.9
63.95168	0.9
69.27104	0.9
70.47399	1.0
78.27505	0.8
78.95889	1.0
81.29926	0.9
83.05024	6.7
107.06062	1.2
111.04512	2.4
127.88846	0.9
129.05569	38.6
141.35812	1.0
141.94923	1.1
147.06609	5.2
152.99556	1.0
171.09933	1.3
225.22249	1.0
271.00684	1.0
271.22601	1.1
274.03497	1.0
277.21735	100.0
371.56219	1.1
386.80969	1.3
407.28067	67.5
427.84045	1.3
434.74988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71832	0.8
78.95878	1.5
79.95714	0.9
83.05041	1.1
85.06590	20.2
95.04961	1.0
104.60420	0.8
111.04502	12.2
111.56186	1.1
115.98650	1.0
128.30904	0.9
129.05577	100.0
139.03993	6.4
152.99568	1.2
171.10298	1.3
179.03876	1.4
199.13559	1.0
201.66090	1.1
238.62122	1.1
277.21762	8.0
295.22812	13.5
325.27460	9.7
407.28104	15.7
420.41867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28009	0.8
53.83699	1.0
54.47845	0.9
59.01379	2.6
78.46069	1.1
78.95899	1.8
85.06589	2.6
89.76293	1.0
104.13323	1.1
112.12605	1.0
129.05580	5.2
136.99174	2.7
152.99579	1.4
167.89906	1.3
277.21747	100.0
407.22620	1.1
407.27921	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38351	0.2
52.89457	0.2
53.03047	0.2
55.52826	0.2
67.05522	1.6
78.95901	0.5
81.03453	0.3
95.05022	17.8
124.01655	3.9
139.04015	100.0
184.19449	0.3
220.35406	0.2
250.37465	0.3
270.16650	0.3
407.31671	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3172
Annotation	Diacarnoxide C
Peak:m/z	Relative Intensity
53.32177	1.6
54.19544	1.8
55.34932	1.8
65.03965	4.2
71.16566	2.0
73.33688	2.3
93.03450	81.0
93.04027	3.3
95.05014	9.4
111.04474	2.6
117.92610	1.9
137.00076	2.1
139.04001	14.1
163.91316	2.4
169.00841	2.0
245.86887	2.1
265.25308	2.3
267.26959	42.1
363.32874	4.7
393.19177	2.4
407.31665	100.0
434.13196	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64966	0.9
54.86758	0.8
76.55017	0.9
97.40850	0.9
99.08134	11.0
105.34276	1.1
127.07645	12.3
145.08707	60.3
183.34102	1.2
279.23306	100.0
395.12262	1.1
407.31616	18.2
417.98810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	7.1
72.29855	1.1
78.08958	0.9
95.05025	6.1
97.02957	12.5
121.11902	0.8
124.01666	1.2
129.50035	1.0
139.04015	51.5
154.28476	0.8
236.32259	0.9
267.27008	11.6
288.11807	1.0
319.30017	1.7
363.32834	6.6
407.31696	100.0
418.02792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75524	0.8
57.20877	0.7
67.05518	1.7
78.54509	1.0
91.56782	0.9
95.05009	18.1
124.01665	1.8
127.07648	1.3
139.04015	100.0
147.03734	1.0
198.43385	0.9
254.93399	1.0
279.23318	14.7
399.72464	1.0
407.26291	1.8
407.31345	9.5
431.35385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98272	0.8
55.06425	0.8
55.39935	0.7
56.60014	0.8
62.11866	0.8
65.69512	0.9
67.05539	1.5
68.35001	1.1
95.05019	15.6
124.01614	2.1
139.04015	100.0
153.92517	0.9
285.66675	1.0
355.53766	1.1
407.31567	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87733	1.0
59.01387	7.2
60.54346	1.0
70.02959	1.0
71.01371	1.8
82.02979	1.9
84.00900	1.5
84.04544	1.4
84.12910	1.1
96.43609	1.1
100.90658	1.3
101.02437	1.5
112.04024	5.7
126.01920	1.3
127.13458	1.0
133.02960	14.7
134.03734	10.7
135.03482	2.1
135.04520	55.5
137.02425	2.8
149.06046	7.6
161.02440	100.0
177.05566	16.3
178.02707	1.9
179.03499	55.3
221.04593	9.8
251.05563	2.0
264.17484	1.1
281.06625	16.8
307.08200	1.7
364.10522	16.9
408.09244	2.5
408.23566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63693	0.9
59.01387	9.2
64.09735	1.0
70.02969	5.6
71.01397	4.0
80.48734	1.0
81.02188	1.7
81.92846	1.1
85.02960	1.2
95.17597	1.2
112.04032	35.7
124.04025	2.3
149.02420	11.9
163.03951	4.2
164.04793	32.8
175.00404	8.6
178.06325	1.6
179.07130	8.2
190.02737	90.0
205.05072	100.0
206.05853	6.2
207.03154	2.1
208.03760	5.1
221.08202	4.4
223.06133	28.7
265.07147	5.7
295.08127	1.8
325.09375	1.8
393.10825	1.2
408.13034	71.5
411.39020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57243	0.9
59.01390	1.2
61.98832	100.0
71.93424	0.8
72.41670	0.9
88.61825	1.0
143.40016	1.0
299.65427	1.0
408.24722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52736	3.7
61.98830	27.0
68.75405	4.7
74.85681	4.1
81.14350	4.6
97.17478	4.8
100.01327	3.7
103.55200	4.1
106.03712	5.1
110.22085	4.1
118.01428	6.3
122.74517	5.1
160.66127	4.7
161.83989	4.6
172.99181	5.3
279.89124	4.7
305.17783	6.2
310.21088	6.0
317.21249	100.0
346.20303	32.5
350.13828	6.2
361.20236	85.8
408.19595	33.9
408.24384	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01229	0.3
59.07838	0.3
59.15525	0.2
61.98824	0.3
62.81078	0.3
64.64166	0.3
66.18142	0.3
67.05415	0.3
68.33701	0.3
68.56225	0.2
69.58492	0.2
74.28645	0.3
79.95731	20.5
80.96503	2.3
91.81962	0.3
96.96021	0.6
101.81258	0.3
114.01995	0.4
123.24751	0.3
125.09728	3.3
131.82138	0.3
141.12843	1.5
157.12358	2.1
184.02536	0.3
186.11363	11.4
193.08942	0.6
221.08546	100.0
250.07640	1.4
299.94446	0.3
408.20520	1.7
408.25949	1.7
422.67688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45980	1.7
63.37956	1.9
73.98687	1.6
74.22645	1.7
78.95901	47.6
82.40147	1.9
96.96959	6.8
115.04473	1.8
121.13058	1.7
121.95927	2.0
131.33296	1.6
152.99583	100.0
153.99918	19.4
408.22464	46.5
408.27505	2.8
416.06433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84548	0.3
52.87663	0.3
56.33463	0.4
59.50093	0.4
61.46739	0.3
64.16006	0.4
71.01373	2.2
82.18597	0.4
82.62006	0.4
85.19232	0.4
114.68648	0.3
128.03531	0.6
153.09224	0.5
157.19623	0.4
179.90671	0.5
212.58647	0.4
235.20665	2.1
235.37880	0.5
265.25351	2.0
292.26486	100.0
408.27567	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85667	0.5
59.01377	0.9
60.37476	0.5
65.07288	0.6
71.01385	1.0
82.41403	0.7
90.49090	0.6
97.05194	0.7
100.48828	0.6
113.77290	0.6
126.12535	0.6
126.97540	0.7
217.99937	0.6
235.20747	1.4
239.84448	0.7
265.25433	1.4
292.26501	100.0
321.99161	0.7
322.60056	0.7
408.27536	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2761
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
58.02979	1.6
61.34827	0.9
63.34354	0.9
63.44080	0.9
64.23928	0.9
69.11460	1.0
77.89373	0.9
78.07185	0.9
79.81439	1.1
82.02958	1.1
84.04563	1.8
100.01144	1.0
100.07671	8.0
100.58085	1.0
102.04924	1.9
102.05605	55.8
112.05056	1.1
119.93507	1.3
125.70512	1.1
128.03531	59.4
135.93500	1.1
146.04605	7.9
224.13019	1.2
224.91731	1.1
271.13989	1.3
279.23346	42.8
320.29456	1.1
364.28549	5.9
390.26382	5.1
408.27600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33279	0.8
55.01871	2.2
59.01384	14.0
64.67942	0.9
65.52318	0.8
69.03455	100.0
70.22335	0.8
71.01379	2.4
72.99300	0.9
73.65865	0.9
79.01896	1.7
82.32159	0.9
83.33160	0.9
85.02961	1.7
89.02426	1.4
95.01386	1.6
97.02950	20.3
99.00877	24.7
101.02428	3.9
113.02493	1.2
114.23379	1.0
117.03444	4.3
119.05005	5.4
134.03714	2.3
136.68517	1.0
141.01967	7.1
145.02956	84.1
152.99565	1.1
155.03508	1.4
163.04001	8.2
164.04791	4.1
185.00920	44.0
193.05064	2.1
208.03865	1.2
223.06137	1.9
236.06088	1.2
349.18698	6.3
358.93436	1.0
409.07401	14.0
409.15204	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94043	0.5
78.95901	22.3
85.27563	0.5
96.95458	0.5
96.96007	5.0
96.96945	3.6
97.41386	0.6
98.98201	0.5
152.99565	0.9
273.98752	0.6
351.04474	8.4
352.61496	0.6
365.05872	4.4
379.03967	100.0
393.05692	3.6
394.06302	8.3
409.08667	55.9
409.19739	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
71.01388	6.5
72.74850	1.6
89.02419	3.5
109.63312	1.4
115.00362	34.6
130.08722	2.7
131.04633	3.2
133.01439	100.0
133.76390	1.5
248.90685	2.1
318.70816	1.7
322.05609	1.8
368.11118	1.8
409.13126	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.7
57.03428	1.9
59.01391	13.8
71.01372	2.3
71.55740	1.3
72.99292	1.4
73.02957	1.8
75.00868	12.2
78.04712	1.6
82.88469	1.3
83.01379	1.3
83.20901	1.3
85.02955	11.6
89.02416	2.1
93.03436	1.5
101.02436	2.8
113.02451	54.2
119.05019	100.0
121.02926	11.5
128.99417	1.6
129.01898	8.2
145.02945	34.7
147.03001	18.5
149.04532	1.6
163.04007	48.1
165.04057	46.8
187.07593	2.2
189.05725	1.7
191.05595	6.2
217.08734	15.6
261.07712	86.7
291.05038	1.7
291.08582	2.0
311.07849	13.7
357.13763	1.5
358.74643	1.5
409.11307	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.5
61.98827	2.6
71.01380	68.4
72.83574	2.2
78.95905	16.7
84.93884	3.7
97.06596	2.8
98.11434	2.3
99.00858	5.0
99.92579	79.0
100.93371	19.5
115.00360	45.7
115.92070	40.9
116.92852	100.0
122.15710	2.5
134.25380	2.5
137.09715	4.2
149.32646	3.0
152.99602	42.6
171.10300	10.4
179.44119	3.0
209.15408	3.1
211.13222	2.8
235.17088	21.7
275.20200	35.8
293.21268	62.6
309.20743	18.2
311.22192	5.8
362.08078	4.5
373.11136	4.2
391.12305	17.5
409.13452	69.3
409.21692	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66218	1.3
64.82079	1.3
65.22297	1.2
67.55342	1.4
67.77639	1.5
68.17797	1.7
99.92580	100.0
100.93339	13.9
102.91343	1.5
114.92838	1.7
115.92052	13.6
116.92856	34.2
119.21275	1.7
137.37367	1.5
196.01903	2.8
198.03578	2.8
224.01508	3.5
242.02588	19.0
264.04608	3.5
282.05692	10.0
363.09039	10.5
374.12079	3.1
392.13010	10.7
402.59900	1.7
405.61313	1.8
409.13269	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12737	0.8
58.00613	1.3
58.09941	0.9
59.01382	40.7
71.01381	15.4
85.02954	5.1
89.02443	35.3
97.02945	6.1
101.02441	14.1
105.79340	0.8
113.02475	2.3
113.06099	1.6
115.04004	37.8
117.40810	0.9
119.03490	5.0
131.03455	1.1
143.32072	0.8
173.85767	1.1
179.62305	1.0
223.69124	0.9
267.73047	1.1
311.10065	3.5
409.13583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56603	0.8
59.01375	3.6
65.33880	1.0
78.95924	1.0
79.95739	1.4
85.02921	1.2
96.96017	1.1
99.92609	1.1
101.60413	1.1
113.02441	57.4
116.92854	1.0
123.08147	1.3
149.02858	1.6
152.99574	1.4
178.84386	1.1
183.13928	1.7
210.08072	1.3
238.07513	6.4
239.11899	16.1
249.10263	1.2
250.07707	1.1
251.08104	1.9
252.09033	2.1
253.09825	5.4
266.07336	3.3
266.10602	26.7
267.11423	40.8
268.08557	1.1
277.09851	2.2
280.08621	1.8
295.10892	100.0
305.40234	1.0
373.16766	1.9
409.13773	1.2
409.22324	5.1
409.26932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
71.01381	2.7
71.53040	0.6
73.69977	0.6
84.72558	0.7
85.02928	1.1
89.02432	1.2
101.02432	3.3
117.03440	7.7
119.05026	5.5
128.54494	0.6
129.90343	0.7
145.02954	100.0
159.77269	0.7
163.04027	6.5
192.63417	0.7
203.27528	0.8
254.44720	0.7
285.81979	0.8
409.15137	52.4
409.20291	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61935	0.4
59.01381	0.9
69.20566	0.4
70.78546	0.3
71.01370	2.4
73.02935	0.9
85.02955	1.9
89.99921	0.4
92.70183	0.4
99.00853	0.6
101.02422	3.1
101.06067	0.4
113.02443	1.8
117.03459	7.3
119.05026	5.7
145.02954	100.0
163.04025	7.7
171.20316	0.4
171.91316	0.5
199.52136	0.5
218.67630	0.4
230.76208	0.5
271.27603	0.4
278.57718	0.4
279.56195	0.4
317.19785	0.5
333.11432	0.4
409.15097	60.9
415.79077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
68.10772	0.1
71.01380	3.0
73.02943	1.4
80.17046	0.2
81.33672	0.2
83.01396	0.4
85.02928	2.2
89.02436	0.2
89.27395	0.2
95.01408	0.2
95.51328	0.2
99.00904	0.3
101.02436	2.6
101.06069	1.0
113.02427	1.4
116.94819	0.2
117.03455	6.9
119.05018	6.7
127.60638	0.2
136.93069	0.2
145.02950	100.0
161.04619	0.2
163.04010	7.6
239.19266	0.2
276.26385	0.2
409.15082	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03088	0.4
59.01382	3.6
59.01606	0.3
63.95128	0.4
68.07225	0.4
69.03450	5.7
71.01366	2.5
73.02946	1.0
80.61608	0.3
82.22395	0.4
85.02929	1.6
91.49814	0.4
95.67707	0.4
97.02921	0.7
99.00862	2.8
101.02432	2.3
101.06051	0.6
111.79265	0.4
113.02445	2.0
117.03454	8.7
119.05011	6.4
134.03752	1.7
137.02441	0.6
141.02003	0.5
145.02948	100.0
155.03442	0.6
163.04002	7.7
185.00940	3.1
193.05045	2.4
213.72307	0.5
215.05598	0.8
409.15155	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80198	0.7
56.46690	0.7
59.01389	4.5
61.66522	0.7
69.35159	0.8
69.42408	0.9
79.25541	0.8
89.02454	1.3
109.32751	0.8
113.02435	0.9
122.03732	1.5
149.02437	13.6
150.03221	46.5
151.04025	1.0
164.04785	13.8
165.05563	100.0
179.05739	0.8
180.04227	3.8
195.06657	13.0
213.07677	4.2
250.99557	0.9
285.07791	6.4
286.08548	10.4
301.10828	16.6
330.79770	0.9
361.12982	38.6
409.15198	30.0
430.53006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47028	0.5
56.54176	0.5
57.49601	0.4
59.01384	6.0
61.98822	0.6
62.58440	0.5
67.48966	0.5
70.03008	0.5
71.01378	1.2
73.80810	0.6
75.00888	0.6
77.58305	0.6
79.12622	0.6
89.02436	1.0
93.03449	0.6
114.01951	0.7
115.00361	0.9
121.02947	0.6
122.03764	1.0
131.04616	1.1
133.02914	0.9
149.02451	4.9
150.03226	51.4
150.33107	0.8
164.04778	2.9
165.05568	100.0
165.91887	0.8
180.04262	5.8
195.04826	1.0
195.06645	30.5
213.07727	1.4
223.06248	0.9
247.05608	1.2
276.09354	0.7
286.08502	2.5
301.10800	1.4
349.18604	0.8
361.12970	4.1
409.15527	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.9
71.01376	21.3
73.02950	7.3
73.52966	1.5
76.15466	1.4
83.01391	2.7
85.02940	7.9
89.02415	10.7
93.03468	1.9
93.32500	1.6
95.01423	1.9
99.00846	2.5
101.02431	20.3
101.44369	1.5
113.02445	12.6
117.03465	10.2
119.05016	62.8
132.70906	1.6
145.02956	89.4
145.04103	3.2
160.01775	1.7
161.04552	3.1
162.69083	1.5
163.04004	72.3
178.29005	1.6
220.42287	1.7
232.37540	1.6
277.16556	6.2
285.61841	1.5
309.20618	1.7
341.44373	1.6
409.15070	100.0
409.20801	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1507
Annotation	Iandonone
Peak:m/z	Relative Intensity
59.01368	2.1
69.03461	2.9
71.01379	2.4
73.02927	0.9
85.02920	1.4
87.79448	0.3
89.02417	0.5
93.03452	1.3
97.80376	0.3
99.00871	0.8
101.02420	2.7
113.02410	1.4
117.03447	8.0
119.05011	6.2
121.67595	0.3
134.03728	5.3
137.02461	1.3
145.02945	100.0
146.24522	0.4
149.02458	0.6
149.05988	0.4
161.04610	0.4
163.04001	8.2
164.04807	0.9
185.00914	0.8
193.05052	4.9
205.05081	0.4
210.75087	0.4
223.06125	0.7
233.06686	0.5
300.96118	0.4
373.12854	0.4
409.15140	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.151
Annotation	Iandonone
Peak:m/z	Relative Intensity
59.01384	15.4
59.20070	0.6
69.03465	1.3
71.01386	5.0
73.02954	3.3
81.83585	0.6
85.02962	3.0
89.02452	1.3
92.23200	0.8
99.00917	1.6
101.02434	7.3
104.27821	0.7
106.89332	0.6
111.66267	0.6
113.02454	3.7
117.03461	9.4
119.05032	7.9
121.02947	0.8
135.14020	0.7
140.80202	0.7
145.02954	100.0
147.04547	4.5
152.99626	1.2
161.04550	1.1
163.03993	10.4
185.00945	0.8
277.16537	1.5
336.02213	0.7
409.15182	62.5
409.20813	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69854	1.0
58.76115	1.0
59.01383	72.8
66.41569	1.1
71.01385	6.6
73.02945	100.0
74.18948	1.1
74.62405	1.1
79.19733	1.1
83.23923	1.2
85.02950	24.8
86.17180	1.2
99.00902	1.1
101.02440	5.8
101.06080	1.9
103.04008	21.9
103.04639	1.7
113.02451	3.0
117.03518	1.7
127.03989	1.5
145.03012	9.3
155.03481	2.2
161.04480	1.3
203.83818	1.2
217.03439	2.3
223.96796	1.1
245.10356	1.5
261.07477	1.6
263.11331	7.1
281.99036	1.2
304.14325	1.5
319.14014	37.9
331.13989	2.2
349.18631	1.9
409.10529	1.4
409.15552	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.30003	1.3
70.81870	1.4
71.01382	12.7
73.02944	40.2
76.25234	1.4
83.01387	1.4
85.02945	12.8
89.02445	7.6
89.87519	1.3
101.02424	17.2
103.04005	5.7
113.02439	11.8
119.03493	2.3
129.49568	1.3
161.04550	8.7
217.50050	1.6
251.11453	20.4
263.11368	17.5
310.50659	1.7
319.14029	13.1
349.18710	6.5
358.85852	1.7
409.16660	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
59.01382	71.8
68.25995	1.3
69.03431	1.6
71.01385	44.7
72.99297	2.5
73.02947	30.9
83.01387	14.2
85.02943	19.2
87.00868	6.0
89.02444	30.9
95.01365	2.3
97.02927	2.2
99.00855	3.1
101.02435	59.2
103.04018	10.3
107.74911	1.6
113.02433	17.9
115.04013	7.6
119.03503	12.7
125.02452	3.8
131.03540	3.2
143.03555	7.1
145.05139	2.6
150.03227	14.8
160.59232	1.6
161.04526	11.9
163.06134	21.8
164.36411	1.8
165.05554	24.4
195.06613	7.7
205.07179	8.5
247.08272	2.4
263.08652	2.9
263.11368	36.4
265.09329	1.8
307.10431	1.7
409.17273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22456	1.1
56.35222	1.1
58.37602	1.1
59.01382	100.0
61.51822	1.1
68.05042	1.2
69.44425	1.1
71.01381	17.5
73.02943	8.8
75.00871	7.9
83.01405	1.4
83.25764	1.5
85.02935	9.7
86.70404	1.3
89.02432	12.6
99.00853	1.4
101.02440	20.3
113.02466	11.5
119.03519	1.2
143.07123	5.3
149.09703	2.8
160.39195	1.4
161.04539	7.6
187.13390	1.4
251.11375	51.1
324.03232	1.3
331.77493	1.3
335.92712	1.3
349.18793	24.9
354.58911	1.2
409.17102	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86523	0.6
51.62804	0.8
51.80591	0.7
53.70229	0.7
59.01383	49.8
59.01686	1.6
63.34466	0.8
71.01380	3.9
73.02942	100.0
73.82471	0.8
74.48596	0.8
85.02944	23.0
89.02425	4.1
92.23064	1.0
101.02438	4.8
103.04010	10.7
113.02428	1.9
114.01986	0.8
121.67819	0.8
125.73388	0.7
131.04625	1.1
161.04544	1.3
164.53607	0.8
165.05547	1.4
177.51834	0.8
245.10309	1.9
263.11346	8.8
310.68198	0.8
319.14020	40.0
331.13989	4.2
349.18790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
64.42317	0.4
78.95900	1.1
85.03017	0.5
89.02428	0.5
90.66637	0.5
96.96007	0.8
115.87547	0.5
123.04423	0.6
127.03176	0.6
130.07497	0.5
148.31696	0.6
152.99529	4.8
177.12773	2.6
189.09166	4.9
203.10776	2.0
205.12346	100.0
215.06848	0.6
247.13396	2.3
409.19034	2.0
409.23474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74091	0.5
53.91816	0.6
54.09268	0.5
61.40429	0.6
66.12781	0.6
75.93884	0.6
79.95731	12.3
80.96494	0.8
95.95231	0.9
96.95998	68.7
99.08157	1.1
120.45805	0.9
135.90018	0.7
139.11325	1.4
157.12328	0.8
171.10217	8.5
171.79938	0.7
178.28065	0.7
211.13332	7.6
215.73372	0.8
229.14474	14.8
237.08040	2.9
241.87834	0.7
329.23318	20.4
345.34412	0.8
389.88614	0.7
397.19254	0.7
409.19064	100.0
425.01962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.5
59.22726	0.4
61.98835	0.9
64.61373	0.5
70.02960	1.1
70.61687	0.6
78.95901	20.8
79.95730	22.4
79.96180	1.0
80.96509	2.5
83.49201	0.5
92.01425	0.5
96.00914	4.7
96.96014	2.2
96.96946	2.2
104.72267	0.5
113.09729	1.0
114.01952	2.4
118.80618	0.6
125.09722	8.3
127.11298	0.6
139.11374	0.6
141.12839	1.3
145.51584	0.6
152.99588	55.6
157.12297	0.7
169.08551	0.6
171.00529	0.7
171.10219	0.7
187.09761	25.4
193.08997	0.7
201.11325	1.1
221.08539	100.0
223.09528	3.0
241.09361	0.8
255.23346	2.2
267.05429	0.8
327.21652	0.7
331.18784	2.7
349.19931	1.0
409.13638	0.7
409.22922	17.9
409.27744	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.7
65.54698	0.7
68.42382	0.7
70.31021	0.8
74.99703	0.7
78.95903	3.3
79.95730	11.1
80.96532	0.9
94.99747	0.7
96.96003	84.7
98.95576	1.0
99.08107	1.0
129.44113	0.7
139.11311	1.9
142.72504	0.8
152.99585	1.7
157.12361	0.9
171.10240	11.9
209.04895	0.8
211.13414	7.0
221.14163	0.8
229.14436	4.8
237.08028	7.0
311.22272	1.2
329.23392	18.3
409.19073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35730	0.6
59.81465	0.6
61.98823	1.2
65.79659	0.6
68.07752	0.7
70.55412	0.8
72.30549	0.7
75.72482	0.7
78.95885	5.8
79.91705	0.8
79.95734	15.4
80.96522	1.0
84.75413	0.8
95.95219	1.1
96.96000	79.6
97.91002	0.8
99.08169	0.8
134.02986	0.7
139.11253	2.7
152.99556	0.9
171.10292	10.2
188.47679	0.8
211.13402	8.3
229.14400	15.0
237.08017	7.3
293.21417	0.9
329.23361	21.7
351.33319	0.8
377.90182	0.9
409.19064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49253	1.0
59.01383	1.4
61.98833	1.9
67.09271	1.2
78.95902	12.9
79.95726	20.2
80.96526	1.6
96.95990	1.8
96.96967	2.4
99.79269	1.3
99.92579	6.7
100.93343	1.9
115.92038	2.7
116.92859	11.2
125.09745	9.9
152.99574	41.2
153.00748	2.0
187.09766	28.3
221.08540	100.0
223.09526	1.8
251.05710	1.7
252.10800	1.4
255.23062	1.5
309.20651	1.7
360.94815	1.5
391.12259	1.5
409.13873	11.4
409.18866	4.0
409.23337	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2002
Annotation	andiconin
Peak:m/z	Relative Intensity
50.44554	0.2
50.67103	0.3
51.35421	0.2
53.28816	0.3
55.13359	0.2
58.48989	0.3
62.39160	0.2
68.86023	0.3
71.27354	0.3
78.95905	100.0
93.79843	0.3
96.40006	0.3
96.96011	0.5
96.96973	4.3
98.45441	0.4
130.02008	0.3
137.27711	0.3
152.99622	0.5
206.02650	0.3
239.63956	0.3
375.69736	0.4
409.20032	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2023
Annotation	andiconin
Peak:m/z	Relative Intensity
56.74627	0.9
58.78091	0.9
62.98308	0.7
63.38647	0.7
71.22442	0.8
78.95897	4.3
79.78275	0.8
82.90258	0.8
92.23083	1.2
124.79109	0.8
152.99577	15.6
155.33797	0.9
173.03343	0.9
176.01138	17.1
187.47205	1.0
202.99886	54.6
204.00664	11.9
217.01379	5.2
229.01404	38.5
229.05063	5.4
230.79137	1.0
244.07416	4.6
255.06647	2.1
257.04498	1.4
272.04239	1.3
272.06961	26.1
323.12787	1.8
340.12912	3.8
354.01443	1.0
409.20166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37879	0.7
57.03413	0.9
59.01381	76.9
63.56306	0.9
71.01376	28.0
73.02925	6.5
75.00867	8.3
75.81982	0.8
79.23910	1.0
83.01408	1.6
85.02942	7.1
88.04380	0.9
89.02434	17.2
95.01371	1.9
97.02931	1.7
99.00900	2.1
101.01786	1.0
101.02438	25.3
113.02445	13.7
113.06084	1.0
115.03996	3.9
119.03496	7.2
159.04758	0.8
159.19527	0.9
161.04553	12.3
203.03490	1.0
203.34808	0.9
247.02512	1.7
253.32820	0.9
283.23853	0.9
349.18704	100.0
409.13306	17.6
409.20749	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.64498	0.9
71.01377	30.0
72.99324	0.9
73.02940	36.5
77.76468	1.0
83.01389	1.6
85.02946	18.9
87.00851	1.4
88.91017	1.0
89.02437	24.9
95.01379	2.6
99.00896	2.1
101.02439	27.2
103.04015	1.8
113.02446	17.8
115.58222	1.3
119.03505	10.2
140.15845	1.4
156.07253	1.1
161.04565	9.7
179.05550	4.7
232.95760	1.0
233.23727	1.2
240.80814	1.2
263.11282	1.4
319.14050	12.7
349.18695	84.3
390.23715	1.1
409.20935	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03442	1.5
59.01107	1.0
59.01381	18.7
65.26105	0.7
71.01379	23.6
73.02940	17.0
78.95887	0.8
83.01382	6.2
85.02945	14.1
87.00851	1.0
89.02451	6.6
95.01398	1.2
96.35367	0.8
97.02930	1.2
99.00878	8.1
101.02442	37.8
111.00841	1.0
113.02435	18.0
115.11285	0.8
139.43164	0.8
145.08649	1.0
152.99565	0.9
159.02963	1.5
161.04562	8.3
167.03386	0.8
173.04555	1.0
173.24576	0.8
228.17915	1.0
277.16574	21.7
302.04987	0.9
398.66898	0.9
409.20798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10874	0.6
59.01382	100.0
60.64090	0.6
69.97589	0.6
71.01380	24.6
73.02946	3.2
78.54568	0.6
83.01395	0.8
85.02958	6.6
86.32616	0.6
87.04493	0.6
89.02440	30.4
95.01369	2.7
99.00877	0.7
101.01779	0.9
101.02434	18.4
113.02447	13.4
119.03490	13.0
127.04006	1.2
131.03491	0.9
143.03426	1.2
161.04584	6.6
179.05634	10.7
187.13374	2.6
191.05548	0.7
193.92903	0.6
229.00229	0.7
251.11476	1.3
349.18701	79.0
380.27249	0.8
409.08829	0.7
409.16797	1.1
409.21402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98210	2.5
52.07034	2.4
56.86330	2.6
57.46260	2.7
58.39138	2.9
59.01381	100.0
62.19334	2.8
66.32437	3.3
71.01380	25.0
73.02941	14.4
77.84911	2.9
79.71852	2.8
80.70905	2.7
85.02946	12.2
89.02422	26.4
89.13114	2.9
101.02420	27.1
113.02430	14.6
119.03499	6.3
135.82384	3.4
161.04578	7.4
173.08334	4.8
179.05600	5.6
319.13773	3.4
347.73755	3.1
349.18658	70.9
409.16498	5.8
409.21228	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88609	0.5
59.01381	100.0
68.93790	0.6
69.03452	1.2
71.01367	1.1
73.61906	0.5
78.95863	0.7
80.13892	0.6
97.02946	3.8
113.02475	0.7
134.03761	2.9
136.12415	0.6
141.01965	1.1
149.02460	3.1
155.03421	0.7
164.04819	5.5
190.02989	0.6
193.05048	3.4
206.05420	1.4
208.03802	0.7
217.03493	0.7
223.06105	5.7
291.08936	0.7
303.25235	0.7
307.17484	1.1
349.18814	5.3
409.07327	1.1
409.12338	1.3
409.21274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03441	1.7
59.01383	29.2
63.35225	1.0
64.44055	0.9
71.01378	43.4
73.02942	24.1
81.80421	1.0
83.01378	12.0
85.02937	26.6
87.00885	1.7
88.46265	1.0
89.02459	8.1
92.22430	2.3
95.01370	1.6
99.00865	9.0
101.02444	68.0
113.02442	28.1
113.85168	1.1
115.11236	1.4
117.03472	1.4
119.03453	1.3
125.02398	2.2
129.01936	1.7
145.02950	28.0
148.61066	1.1
159.03027	2.1
161.04547	15.6
247.09811	1.1
277.16583	80.8
393.59204	1.1
409.15176	14.9
409.20786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.50267	0.7
70.24755	0.7
71.01371	1.3
90.78642	0.7
98.03723	0.7
98.48492	0.7
101.02413	1.1
127.07373	0.7
134.03737	1.1
139.05507	0.8
145.02974	1.8
163.95500	0.8
164.04774	1.7
170.40733	0.7
173.04504	1.3
176.16823	0.8
179.07138	0.8
193.04994	1.4
199.50348	0.7
223.06032	1.2
307.17767	1.4
314.61923	0.9
322.17126	0.8
346.70737	0.7
349.18750	8.2
377.70355	0.8
407.25076	0.8
409.20773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98825	1.1
78.95901	1.6
86.73622	0.9
89.02436	7.1
92.22568	1.6
99.00875	1.3
110.82700	0.9
111.31291	1.1
115.03992	1.5
139.11307	1.3
152.99588	7.1
169.16949	1.1
169.46529	1.1
171.10327	1.7
223.20688	1.5
249.18628	7.3
267.19678	100.0
269.07144	1.5
275.16458	7.7
293.17657	35.0
293.20911	2.1
307.02765	1.2
311.18698	71.3
311.21985	3.5
409.21533	10.7
409.26453	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93620	0.3
56.70739	0.3
60.87127	0.4
65.49657	0.3
72.54655	0.4
78.95898	25.0
96.96941	4.7
100.85313	0.3
150.97974	1.5
152.99576	100.0
171.00650	3.8
188.61389	0.4
255.23341	3.1
277.64600	0.4
409.23615	27.4
426.47638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97955	0.3
60.12993	0.3
65.15350	0.2
78.95898	27.1
85.15746	0.3
96.96944	2.9
97.82925	0.3
131.08249	0.6
150.98006	1.5
152.99580	100.0
163.92921	0.4
171.00642	3.0
224.88939	0.3
241.21793	0.3
255.23418	2.7
409.23621	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96450	0.3
59.93462	0.3
62.96415	0.3
78.95898	21.7
78.96365	0.7
79.54095	0.4
87.01717	0.3
96.96960	3.4
100.54656	0.4
110.39113	0.3
121.20515	0.4
150.97983	1.8
152.99577	100.0
171.00665	4.2
174.54813	0.3
178.54933	0.4
195.01425	0.3
218.15883	0.3
255.23210	1.9
306.38956	0.4
409.23651	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04767	0.4
54.82164	0.4
55.94899	0.4
56.46505	0.5
56.79363	0.4
58.70612	0.4
63.29266	0.4
67.44449	0.4
78.95901	25.3
78.96365	1.0
96.96941	3.8
102.22512	0.5
119.37948	0.5
129.32407	0.5
132.62819	0.5
140.01012	0.5
150.97968	1.0
152.99582	100.0
167.84387	0.5
171.00653	2.8
193.31856	0.5
255.23361	1.2
409.23584	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99312	0.5
62.18361	0.5
78.95901	44.1
78.96368	1.4
92.34808	0.6
96.96935	4.2
97.95692	0.6
104.21895	0.6
132.69910	0.6
143.44640	0.6
150.98036	1.0
152.99580	100.0
171.00641	1.3
180.15053	0.6
180.82814	0.7
186.45132	0.7
206.52979	0.6
255.23303	3.8
283.36005	0.7
402.52588	0.7
409.23633	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42311	0.5
54.48751	0.6
55.98899	0.5
69.35300	0.6
74.67575	0.6
78.95899	35.0
82.45911	0.5
83.05727	0.5
96.96966	4.5
97.78793	0.5
105.86449	0.6
111.98422	0.6
150.97997	0.8
152.99582	100.0
158.65933	0.6
171.00624	2.7
231.68846	0.6
255.23328	4.3
335.23947	0.5
396.71182	0.5
409.23618	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.22583	0.3
64.79192	0.4
78.95901	27.2
96.88095	0.4
96.96969	4.1
96.97491	0.4
98.09946	0.4
104.95409	0.4
110.36588	0.4
114.82170	0.4
150.98009	0.9
152.99586	100.0
171.00647	4.1
185.51605	0.5
223.75577	0.4
230.73326	0.5
240.47546	0.4
244.44501	0.4
255.23341	3.8
261.71173	0.4
277.21744	0.6
295.22662	0.6
346.53714	0.4
352.96088	0.4
409.23587	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01372	1.4
65.01604	0.8
65.50108	0.8
66.45193	0.9
78.95903	44.4
83.01361	0.9
87.04501	6.6
90.37661	0.9
96.96969	4.3
113.02407	1.0
121.19497	1.0
131.03477	2.2
150.97934	1.4
152.99591	100.0
163.20123	1.3
171.00627	1.4
255.23358	6.4
277.21765	75.0
409.23514	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
76.09103	0.8
78.95901	17.1
81.14252	1.0
86.77441	1.0
92.22511	1.3
94.78791	1.0
96.96951	1.6
121.99673	1.1
141.18694	1.1
148.86073	1.0
150.97910	1.0
152.99582	41.4
153.00748	2.1
156.37897	0.9
158.25768	1.0
158.51505	1.1
193.01546	1.3
229.12105	1.1
232.85371	1.4
255.23314	1.8
279.23392	5.6
296.51978	1.2
409.23520	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01376	2.0
78.95886	9.3
96.95998	2.9
97.23733	1.4
99.00877	1.9
107.53703	1.6
108.56655	1.2
113.09752	1.6
125.09720	15.4
127.11295	3.3
129.09259	1.3
139.11276	8.7
152.99577	24.0
159.03008	1.8
171.10258	38.3
181.12357	1.8
183.10205	1.7
185.11925	10.8
187.09778	9.5
197.11832	2.8
201.11298	6.5
211.13423	6.2
275.20209	2.0
277.21637	1.9
293.21194	21.8
311.22324	100.0
409.18094	1.8
409.25732	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06116	0.9
58.02979	13.6
58.64307	0.8
59.01378	1.5
70.02972	22.6
71.02481	1.3
73.01700	0.9
78.95901	15.7
87.05632	2.2
96.00908	56.1
96.96953	1.2
99.49559	0.8
99.92561	1.5
113.03568	10.0
114.01208	1.3
114.01961	34.8
116.92831	3.5
119.71936	0.8
131.03709	0.9
131.04625	20.8
152.98325	1.5
152.99585	38.5
156.96143	0.9
157.35513	0.8
162.62186	0.8
170.11969	1.2
182.15486	24.6
238.58401	1.0
306.28046	1.6
347.30676	4.6
348.28989	2.0
367.02029	1.0
374.90543	1.0
391.11993	1.1
391.25937	6.7
409.26968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	7.4
59.01369	1.7
61.98826	1.8
67.94444	1.1
69.91258	1.6
70.02985	14.9
77.46011	1.3
78.95897	43.0
92.98263	1.2
96.00905	35.4
96.96970	4.9
99.92554	1.5
113.03532	2.8
114.01942	21.7
116.92829	2.6
131.04633	14.8
152.99577	100.0
171.00633	1.9
173.08147	1.9
177.89041	1.2
184.13416	5.3
235.10118	4.9
255.23404	2.8
276.23297	1.7
336.35306	1.6
365.27170	1.7
391.26199	6.0
409.22818	17.8
409.27814	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	5.8
59.01370	0.9
61.98837	0.8
70.02979	10.5
78.95911	5.5
79.95737	19.0
80.96509	2.6
96.00904	32.9
96.95963	0.7
97.06578	0.8
113.03582	5.4
113.09715	7.8
114.01958	15.5
125.09731	9.0
131.04636	10.0
134.31708	0.6
140.48965	0.7
141.12923	0.7
152.99567	10.1
157.12422	1.1
165.70122	0.6
169.08743	0.7
174.00009	0.7
178.03427	0.6
179.14465	1.3
187.09752	23.9
187.91512	0.8
201.11417	0.9
213.11372	0.8
221.08539	100.0
237.42912	0.8
267.05493	0.9
276.23315	1.5
294.24387	1.5
327.21814	0.8
331.18796	0.9
336.04623	0.7
337.44336	0.7
359.08981	0.8
379.99368	0.8
391.26047	4.2
409.18729	1.5
409.27209	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2752
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
54.50599	1.0
55.67950	1.0
62.32384	0.9
68.46211	1.0
69.47642	1.1
71.05006	18.4
78.95900	34.0
85.65102	1.1
88.04030	4.7
90.24023	1.2
96.96957	1.6
111.54035	1.4
120.81261	1.1
128.19595	1.2
129.05554	2.4
132.19026	1.1
148.31871	1.1
152.99582	100.0
154.27231	1.2
163.11288	58.3
166.04196	1.1
171.00691	2.1
194.22377	1.0
195.33740	1.2
227.99159	1.1
233.15416	14.7
279.23315	11.5
279.98581	1.1
327.27490	1.6
337.21756	21.2
370.21417	1.7
409.23361	24.5
409.27637	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2752
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
51.31197	0.9
54.00561	0.8
59.01403	0.9
65.04250	0.8
66.38371	1.0
78.95905	47.6
96.96953	6.6
152.31406	1.0
152.99585	100.0
162.29947	1.0
167.62868	1.2
181.93462	1.1
184.03447	1.0
198.06807	1.3
199.07753	1.4
201.09236	4.4
212.08554	1.3
215.10834	2.5
225.09244	3.9
227.10783	6.2
239.10803	4.4
240.11613	1.5
241.12225	5.3
253.12343	1.9
254.13245	6.8
255.13881	5.7
255.23277	3.8
256.14703	7.1
265.44949	1.1
267.13904	5.8
268.14667	4.5
269.15549	5.0
270.16315	2.1
277.21741	2.4
324.21127	1.4
339.23267	4.1
340.20499	8.0
389.85397	1.1
394.25192	8.3
409.23416	34.1
409.27570	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2751
Annotation	Flabellinone
Peak:m/z	Relative Intensity
59.48196	0.8
60.04359	0.9
67.70124	0.9
78.95906	12.1
85.06778	0.9
96.96926	1.3
144.19917	1.1
152.99590	27.7
153.00706	1.2
159.79774	1.0
180.27136	1.2
201.09448	1.1
213.09091	1.1
217.08727	1.9
223.07759	1.4
225.09213	1.7
231.10379	6.1
237.09155	1.3
239.10770	1.5
241.08749	2.0
242.13225	1.5
243.10298	4.8
251.10855	5.1
253.12627	1.2
255.14101	1.3
255.23344	1.2
257.11996	1.1
257.15579	1.9
267.13989	3.8
269.15536	1.3
271.13483	2.3
272.14243	1.8
279.14014	1.5
283.13556	1.6
285.15033	5.7
286.15784	2.3
297.15121	5.2
310.19678	1.5
312.21091	1.2
325.18039	1.6
325.21948	1.1
338.22940	1.7
340.20523	7.1
379.26254	7.6
391.26440	6.9
409.23962	5.8
409.27731	100.0
409.33200	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2751
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
53.74132	0.6
55.46246	0.7
57.95819	0.8
63.16491	0.8
73.58299	0.7
78.95898	43.2
79.91304	0.7
90.95301	0.8
96.96957	5.3
102.60852	0.7
118.80169	0.7
152.99582	100.0
160.30518	0.9
171.00668	1.3
199.07825	1.2
201.09250	1.8
211.07739	1.3
212.08444	1.7
215.10794	4.1
226.09938	1.5
227.10794	6.0
239.10901	1.6
240.11566	4.1
241.12312	1.8
249.22191	1.8
253.12347	1.1
254.13115	3.8
255.13911	9.9
255.23267	4.4
256.14676	1.5
265.12549	0.8
267.13995	1.8
270.16208	3.0
286.70856	0.9
295.16876	1.6
311.22266	3.9
340.20044	1.3
351.23431	1.7
365.21140	1.3
394.25195	3.7
409.23428	32.3
409.27618	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2752
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
55.70122	0.6
87.69703	0.6
88.79341	0.7
96.70288	0.7
120.05045	0.7
129.66878	0.7
135.04533	4.7
140.60121	0.6
146.03741	1.5
147.04572	0.9
159.04517	1.2
163.03984	4.1
164.06339	0.7
173.06073	1.0
174.03233	1.7
175.04002	1.0
175.07689	0.8
181.71745	0.7
185.69769	0.7
187.03949	1.0
188.08426	1.3
189.09204	3.9
201.05620	1.7
203.07115	1.2
216.07935	5.8
217.08713	41.7
218.09494	1.2
229.08696	3.1
231.10240	1.0
242.13031	0.8
244.14778	0.9
257.15500	1.2
258.16235	3.0
270.16110	0.8
271.13412	5.5
272.14273	3.0
285.14941	3.9
286.15720	6.0
287.16605	8.2
312.21057	0.8
327.41687	0.7
340.20502	5.8
409.27524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2752
Annotation	Flabellinone
Peak:m/z	Relative Intensity
54.45229	1.0
55.76203	0.9
59.01379	6.4
65.03963	1.3
78.95901	41.5
96.96968	4.0
117.89903	1.1
152.99585	99.7
159.04573	1.8
171.00607	2.5
171.04527	10.1
183.04497	4.9
184.05316	1.7
185.06065	1.7
197.06096	1.7
199.07643	2.6
209.06055	2.0
210.06854	2.0
211.07648	2.3
212.08585	2.4
213.09250	9.3
214.10049	7.6
216.84183	1.2
221.09683	1.3
223.07617	2.0
225.09212	9.0
226.09949	1.2
227.10808	11.4
237.09233	1.2
238.09984	1.8
239.10837	7.3
240.11511	2.0
243.10236	1.1
251.10547	1.7
252.11650	1.6
253.12341	1.9
254.13260	1.2
255.23242	1.7
257.11887	1.9
267.13785	2.5
271.13376	2.0
279.13797	1.8
279.23325	1.4
281.15509	11.7
282.16327	10.8
293.15204	2.2
295.17108	2.6
297.14716	1.2
307.17014	5.7
322.19452	2.4
340.20383	2.4
349.21762	4.7
350.22650	9.1
351.23349	23.8
363.23395	2.5
376.24429	1.4
391.26608	2.6
409.23343	27.8
409.27628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
78.95899	16.7
92.22643	8.2
92.23153	2.2
92.63931	2.2
100.54526	2.3
114.55635	1.9
123.00607	4.8
152.99593	55.9
300.48199	2.2
327.29086	78.3
409.23618	26.5
409.29355	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00740	1.8
53.02239	2.0
53.25161	1.9
55.01883	12.1
58.10144	2.3
78.95901	36.8
79.46582	2.0
99.00877	46.1
108.30325	2.4
152.99582	100.0
216.56578	2.4
264.92896	2.2
267.26920	46.8
305.28629	3.7
321.31610	4.5
365.30627	88.1
409.23599	29.8
409.29459	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62054	0.6
56.07739	0.6
57.91987	0.6
66.28556	0.6
70.07577	0.7
72.99302	0.7
74.59535	0.6
75.13036	0.8
78.95898	15.8
80.38272	0.6
83.05016	4.4
96.96947	1.5
105.44694	0.9
111.04491	1.2
123.92520	0.7
129.05566	22.5
147.06612	3.5
152.99586	49.3
171.00731	0.7
175.56828	0.8
176.48920	0.8
194.77191	0.7
202.06421	1.2
203.07106	1.1
210.99379	0.8
255.23305	1.6
272.14194	1.3
279.23306	100.0
293.25214	0.8
321.23779	1.0
326.99478	0.9
340.20581	1.7
409.23560	12.3
409.29401	46.4
422.13257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
62.50254	0.8
64.07014	0.8
65.71320	0.8
70.10410	0.8
73.21865	0.9
77.06907	0.8
78.95903	41.2
88.38001	0.9
89.51465	1.0
96.96952	5.0
97.06577	1.3
99.00885	10.1
104.36749	1.1
110.45288	0.9
115.07642	40.0
130.18144	1.0
152.99591	100.0
171.00696	2.2
171.10298	5.6
241.79182	1.1
255.23297	6.1
265.08084	1.0
267.26892	9.5
293.21259	6.9
311.22302	6.2
365.30701	14.6
409.23590	37.1
409.29440	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00740	1.8
53.02239	2.0
53.25161	1.9
55.01883	12.1
58.10144	2.3
78.95901	36.8
79.46582	2.0
99.00877	46.1
108.30325	2.4
152.99582	100.0
216.56578	2.4
264.92896	2.2
267.26920	46.8
305.28629	3.7
321.31610	4.5
365.30627	88.1
409.23599	29.8
409.29459	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42498	0.9
57.56864	1.0
58.02965	1.8
59.01387	1.5
61.98805	1.4
66.72843	1.3
78.95895	15.8
99.88749	1.1
137.61125	1.1
149.75676	1.1
152.99590	37.4
156.68781	1.1
160.36638	1.0
175.74364	1.1
202.28148	1.1
206.34363	1.2
306.27948	2.1
347.30756	15.1
348.29089	7.1
392.28217	6.9
409.23798	11.1
409.30750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	3.4
70.02981	1.2
71.01376	0.8
71.91528	0.5
78.95909	7.0
84.46687	0.5
85.16395	0.5
92.22529	0.7
96.00900	0.6
96.96024	0.8
96.96947	9.1
99.00870	0.9
99.92598	2.0
100.93326	0.7
114.01946	0.9
114.93404	0.7
115.04050	0.6
115.92048	2.3
116.92839	3.0
122.13267	0.6
143.16006	0.6
146.95184	0.5
152.99571	11.3
267.19659	0.7
293.17740	0.7
294.28091	2.6
305.28683	1.0
306.28140	2.2
309.20624	1.1
311.18768	1.4
311.22220	0.9
319.12381	2.1
321.13840	2.5
323.15469	2.9
323.61893	0.6
347.11832	3.1
347.30701	15.3
348.29218	10.7
349.13345	10.3
373.11145	2.5
391.14658	8.3
391.29651	0.9
392.28107	6.6
409.16257	6.3
409.23788	4.1
409.30786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16503	0.4
55.09335	0.4
58.90069	0.4
67.82352	0.4
71.01374	0.7
73.34181	0.4
75.38808	0.5
76.68060	0.4
81.60947	0.4
101.72792	0.4
128.03545	0.6
130.08737	100.0
158.63045	0.5
274.06607	0.5
279.10873	3.4
350.08655	0.5
410.20825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16872	0.9
59.01383	100.0
60.01722	15.8
62.88812	1.0
71.01379	17.7
72.01717	2.3
85.02974	1.3
89.02443	28.8
90.02787	6.5
90.42838	1.3
101.02441	10.6
102.02809	1.6
113.02441	7.5
114.02830	2.0
119.03508	12.0
120.03831	2.6
127.55579	1.0
161.04565	2.5
179.05621	12.4
180.05965	6.7
239.98009	1.4
270.51190	1.1
288.25497	1.2
349.18304	3.7
350.19055	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68446	8.8
59.57164	8.3
66.86109	8.8
71.89725	8.9
74.62338	9.1
78.95914	41.3
92.37529	9.5
118.89964	23.5
125.58977	9.9
130.64165	9.2
152.29460	10.5
152.99590	100.0
190.06238	10.6
198.21935	10.8
198.23810	10.6
225.72726	11.9
242.22098	9.7
298.72485	12.2
410.23972	58.3
427.79947	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.256
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19421	11.3
63.96578	11.3
63.98062	14.6
63.98414	10.0
64.78891	10.1
78.95914	57.1
84.93996	11.6
92.77468	10.8
94.24583	11.2
121.38876	13.4
152.99574	100.0
153.99927	14.5
238.51833	13.2
294.21539	74.5
304.95108	12.5
410.23969	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15729	0.3
66.85264	0.3
71.01373	1.6
71.05004	1.2
71.10086	0.3
78.95914	1.6
84.13807	0.3
100.64628	0.3
128.03532	0.4
152.99574	2.4
153.99960	0.5
159.65994	0.3
237.22252	3.8
257.58887	0.3
267.26932	3.4
294.28040	100.0
410.24063	1.1
410.29117	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.328
Annotation	Semiplenamide G
Peak:m/z	Relative Intensity
53.00223	0.5
53.90460	0.4
69.20771	0.5
69.57220	0.5
78.46781	0.5
78.64656	0.5
84.04100	0.7
84.04549	13.7
85.02930	1.3
92.22428	0.9
130.08707	5.3
152.99582	1.0
165.48637	0.5
184.98560	0.6
199.02164	0.6
204.61516	0.8
204.63760	0.6
274.77991	0.6
297.27823	2.1
324.29010	2.6
338.34180	2.1
366.33575	0.8
366.37515	1.0
410.32614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0242
Annotation	Turgorin
Peak:m/z	Relative Intensity
53.64996	0.9
55.74476	0.8
55.84930	1.0
59.01381	1.1
70.39758	1.1
71.02546	1.1
78.48458	1.1
81.03490	1.1
83.05015	4.4
96.96005	100.0
101.02432	1.9
107.77596	1.2
111.04499	2.7
115.03975	1.4
117.81199	1.1
125.02437	5.8
127.03991	8.4
127.05026	2.4
138.97060	5.8
155.03482	5.7
156.42226	1.2
167.03406	1.1
169.01414	31.0
170.66669	1.2
179.65323	1.5
199.02322	4.1
217.03564	8.6
222.99144	1.7
241.00262	63.1
249.12445	8.9
321.14548	1.4
331.35779	1.4
411.02438	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13771	1.2
72.99303	36.1
74.01193	1.1
76.58518	1.2
83.05029	44.5
99.69543	1.2
100.27827	1.2
101.80866	1.2
111.04515	41.0
115.04002	18.1
127.04002	100.0
129.05580	8.6
134.03687	1.5
137.02423	5.5
155.03505	62.2
171.02939	5.0
189.04080	3.0
199.02478	31.9
217.03543	95.8
235.04555	4.6
326.23401	1.4
351.93985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16163	0.8
59.01391	6.6
65.59950	0.8
72.99308	23.3
81.03458	4.6
83.05022	32.5
85.02981	1.0
89.02451	1.1
93.03455	2.2
97.29307	0.8
109.02945	1.9
111.04508	40.3
115.04005	15.1
127.04008	100.0
129.05580	7.7
134.03729	3.8
134.65591	0.9
136.01686	1.1
137.02435	6.7
151.03961	9.0
155.02354	2.3
155.03500	65.7
160.01602	1.2
171.02991	5.2
173.04523	1.5
175.04041	1.7
189.04028	1.7
193.05035	2.2
199.02484	42.4
211.06145	1.5
217.03545	81.5
217.55753	1.0
235.04678	1.9
288.48126	0.9
411.13135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81807	1.2
59.01387	7.1
72.99303	30.3
75.20444	1.3
81.03472	1.8
81.44731	1.3
83.05027	38.4
93.03433	1.8
93.82655	1.2
111.04525	40.7
115.04010	17.4
127.04007	100.0
129.05594	11.9
134.03729	1.7
137.02435	6.1
143.56723	1.5
146.86691	1.3
155.03502	66.7
171.03015	3.4
173.04553	1.6
193.05144	2.2
199.02483	38.3
217.03546	95.7
235.04587	2.5
237.11357	1.5
242.40701	1.6
393.08325	6.4
398.99210	1.4
411.08832	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.1
63.29134	3.6
67.05537	4.2
71.01380	6.6
72.06857	3.5
75.73372	4.1
76.64543	3.4
78.95906	8.8
81.34264	4.7
82.00674	4.5
83.73519	4.4
86.15385	4.3
89.02443	18.1
92.19431	4.0
96.96964	24.9
101.02419	4.6
142.32866	3.9
145.02975	6.1
162.03185	5.5
176.04424	3.9
179.05621	6.4
181.43674	4.3
191.05655	4.4
244.50002	4.3
357.11914	5.9
375.13025	6.8
411.10605	100.0
411.15594	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1066
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
56.72529	4.9
57.53144	4.9
57.81170	6.6
59.01371	12.9
65.72084	6.0
70.69626	6.2
71.01408	6.8
79.77053	5.4
89.02445	26.3
90.24499	6.4
96.46908	5.7
119.03470	8.8
144.22696	6.5
145.03012	7.0
179.05574	24.9
195.06641	7.0
211.06233	7.2
291.39493	7.4
337.19174	6.3
357.11917	13.7
375.12933	14.6
411.10605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1066
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
59.01389	7.1
64.93687	5.5
72.99303	26.8
83.05025	28.8
111.04502	31.8
115.04002	22.2
118.41029	5.8
127.04021	100.0
155.03510	63.1
191.05653	8.7
199.02492	30.4
217.03529	59.7
269.48401	6.7
389.43216	6.7
411.10577	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1088
Annotation	Steganone
Peak:m/z	Relative Intensity
50.36976	0.7
50.41280	0.7
50.65874	0.8
53.29617	0.7
53.48628	0.9
54.20079	0.9
60.53053	0.8
80.73300	0.8
107.67213	0.9
126.43618	0.8
129.60078	1.0
224.21956	1.1
235.05916	1.0
236.04816	6.3
248.04851	6.2
251.03473	24.5
251.07143	8.4
263.07227	2.0
264.04282	38.5
266.05917	15.7
277.05069	6.0
278.06000	1.3
279.06625	100.0
281.08182	18.2
292.03784	4.7
307.06131	11.7
309.07721	6.3
309.11206	1.8
324.09949	1.7
337.10901	29.5
337.14789	1.1
351.21069	1.2
355.11703	1.7
400.41034	1.1
411.10922	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1121
Annotation	PYRAOXYSTROBIN
Peak:m/z	Relative Intensity
52.53270	2.6
54.57353	3.3
55.87727	3.0
59.01376	4.7
67.68867	3.2
67.83278	4.0
78.95919	5.9
84.93862	3.6
86.37637	3.3
99.92576	32.1
100.93378	15.3
104.55254	4.3
115.92076	23.5
116.92860	76.8
226.91089	3.6
233.70076	3.9
237.18652	3.9
388.21292	4.3
393.10349	14.1
411.11136	100.0
411.23566	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
67.01894	3.5
67.25525	0.2
71.01375	0.7
77.45718	0.2
88.72385	0.3
89.02434	1.8
93.55528	0.3
99.66991	0.2
101.02435	1.3
111.00870	100.0
113.02474	0.4
119.05000	0.6
152.92662	0.3
160.05814	0.3
196.81364	0.3
218.28664	0.3
299.11417	1.6
411.12894	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85768	2.4
59.01373	14.6
71.01378	64.2
73.02943	21.9
79.24332	2.6
80.40163	2.8
83.01383	6.2
85.02935	38.5
85.36414	3.5
95.01378	5.2
97.02906	4.3
99.00883	5.3
101.02428	39.7
102.39937	3.6
107.05018	100.0
113.02420	37.2
151.03999	96.3
159.02913	3.5
161.04567	41.1
170.67966	3.4
192.96405	3.1
292.07831	3.2
312.95810	3.6
313.09235	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29731	0.7
59.01387	4.1
67.55890	0.7
71.01372	4.8
73.02949	22.6
78.95911	0.9
80.50574	0.7
87.00911	1.1
95.01305	0.7
101.02442	4.7
106.04223	1.9
107.05030	43.9
113.02339	0.7
115.04034	0.9
119.03484	0.9
121.02962	1.3
134.28625	0.8
151.04012	100.0
161.04573	26.9
166.95891	0.7
193.04994	1.2
205.08693	1.2
253.54134	0.9
286.56192	0.8
313.09381	5.1
329.26172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84791	0.9
55.99019	0.8
59.01108	1.5
59.01384	31.6
71.01378	24.8
72.63008	1.0
73.02947	8.9
78.95905	8.8
85.02957	1.3
85.09537	1.0
89.02440	66.4
94.98074	1.1
96.96953	13.7
99.00871	25.9
101.02438	18.2
109.98308	1.0
110.98533	3.8
113.02413	5.1
120.44452	1.0
125.02470	1.1
131.03522	8.2
149.04536	11.5
167.03409	1.2
191.05614	13.0
194.71481	1.0
199.45624	1.0
296.46600	1.1
345.88382	1.0
411.15128	100.0
419.98026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85536	2.5
59.01380	20.3
60.76516	2.8
61.64682	2.6
66.38773	3.0
67.37295	3.1
67.96159	2.6
71.01379	92.0
71.01773	3.1
72.90298	2.6
72.99313	29.0
73.89837	2.6
84.53490	3.0
87.00863	57.0
89.02437	20.6
92.22520	3.3
96.96931	3.9
101.02425	4.8
113.02470	3.6
115.00362	33.1
117.09030	3.1
119.03542	3.0
129.01982	6.2
130.46234	2.9
133.05083	4.3
147.02998	100.0
151.06111	4.5
160.32072	3.9
179.05646	4.3
191.05553	4.1
243.76836	3.0
290.50244	4.1
310.73062	3.4
313.11407	17.4
411.10843	5.1
411.15576	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54187	0.7
59.01385	30.8
65.16186	0.7
65.78895	0.7
68.59932	0.8
70.61400	0.8
71.01379	24.8
73.02936	10.0
74.15917	0.7
78.95902	3.5
79.84119	0.9
80.91675	1.4
85.02938	1.2
89.02441	68.7
96.96953	1.9
99.00883	28.6
101.02448	17.8
110.98544	1.7
113.02446	4.1
125.02428	1.7
129.39139	1.0
131.03479	6.5
149.04556	13.0
161.04565	1.6
167.03484	0.9
182.41562	0.9
191.05632	15.5
198.32756	1.0
226.42929	0.9
253.09167	1.0
353.18918	1.0
374.86545	0.9
384.76044	1.0
402.55804	0.9
411.15146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
92.63904	18.6
95.69044	24.0
96.96009	34.1
98.95610	34.9
193.99057	19.8
199.57121	22.1
223.23016	24.5
285.92932	18.3
350.88693	22.8
376.84805	17.6
411.19339	100.0
411.28552	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25361	0.7
58.66016	0.8
63.71858	0.8
64.67588	0.8
64.79102	0.7
73.02940	1.2
82.02972	0.8
84.04556	1.9
91.05541	1.4
96.11710	0.8
99.05669	1.5
101.02436	10.8
101.07168	1.8
108.45810	0.8
109.04089	1.7
113.07206	1.4
127.05128	49.6
128.03519	9.5
131.27159	0.8
145.06197	1.4
205.13634	1.4
229.09792	1.3
231.11398	8.5
249.12459	100.0
291.13660	1.7
309.05359	1.0
310.79346	1.1
321.14563	26.7
340.15213	0.9
411.17682	4.3
431.25446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2182
Annotation	andilesin C
Peak:m/z	Relative Intensity
59.01361	3.8
61.98841	4.8
63.34297	2.3
70.52515	2.6
83.05010	3.3
95.16883	2.7
105.07113	5.7
113.38712	2.9
116.92829	10.5
127.71306	3.1
131.08653	4.7
137.09689	3.2
139.61409	2.8
269.40005	3.0
305.22977	5.7
323.23962	21.0
367.22760	28.8
411.14789	5.0
411.21759	100.0
411.32462	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88468	0.8
99.00896	3.3
99.92570	11.4
100.93359	46.9
100.94035	1.7
108.17492	0.7
115.92068	100.0
116.92839	10.1
123.41900	0.9
177.30478	0.8
196.93872	1.0
281.24811	7.5
289.20233	0.9
355.11542	0.8
393.21027	8.8
405.87289	1.0
411.22107	24.8
411.30777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56124	2.2
51.69449	2.6
51.86238	2.4
59.01397	4.2
61.98822	2.9
70.40500	2.4
73.14085	2.6
83.70882	2.9
83.71548	2.9
89.07540	3.3
96.95998	16.1
99.08121	6.0
107.40561	2.4
125.86378	2.6
127.11253	5.0
139.11301	38.3
157.12337	11.2
171.10265	43.4
193.08484	82.4
211.13370	14.5
217.03459	3.3
229.14450	4.8
233.11626	43.6
249.11079	5.1
251.11467	19.4
299.39453	3.3
329.23358	54.0
333.19208	20.9
334.54297	2.8
338.18747	3.5
351.21536	100.0
411.23428	28.1
422.90802	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38169	3.0
71.01377	75.1
71.01735	4.7
72.88055	2.7
72.99303	20.5
96.99307	4.3
101.06112	4.1
115.00365	21.6
151.11288	33.9
153.12885	22.4
154.11537	3.3
167.10799	13.7
171.10286	20.6
197.11823	18.6
199.13426	60.8
215.12871	14.8
229.14427	14.7
277.21741	37.9
283.19138	28.3
293.17621	3.6
295.22787	86.2
309.17157	4.1
327.18042	14.9
349.23862	32.4
367.24863	17.2
393.23074	22.1
411.23914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	15.3
63.39235	1.0
67.52419	0.8
71.01377	33.8
80.74548	0.8
81.81833	0.8
99.08170	0.9
100.55323	0.8
115.00352	10.7
121.78132	0.8
171.10266	24.8
270.37094	1.1
277.21744	43.3
295.22809	100.0
360.03452	0.9
411.24051	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40983	0.5
54.38065	0.5
59.01361	0.9
61.98823	7.5
71.01372	24.0
78.95898	0.6
99.92577	4.7
100.93360	2.5
101.32571	0.7
113.09692	2.8
115.00351	12.0
115.92060	4.1
116.92860	8.8
142.34756	0.7
181.12465	0.7
195.13901	17.7
219.06291	0.6
277.21738	17.3
295.22787	100.0
322.05338	0.9
393.13705	0.9
411.14954	7.4
411.24182	7.6
411.31958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2391
Annotation	Conyzanol A
Peak:m/z	Relative Intensity
56.01413	4.3
59.01392	7.2
61.98832	5.1
71.01384	72.5
72.99294	24.3
82.57709	4.4
83.05031	6.0
83.49757	4.5
85.93924	5.6
98.74534	4.6
100.92582	5.1
101.06079	5.1
111.04556	9.9
115.00349	25.2
118.66656	4.7
124.32841	4.5
127.04024	20.3
151.11264	52.8
153.12848	39.2
165.09184	5.7
167.10753	24.0
171.10326	11.9
181.48570	5.1
182.76053	5.4
183.13908	29.9
197.11845	20.9
199.13397	100.0
207.52901	5.7
215.12875	11.0
217.03574	8.2
229.14545	35.9
265.18140	10.2
277.21686	42.5
283.19223	48.7
293.17566	7.8
295.22815	97.7
309.17014	10.1
313.23792	7.8
327.18329	8.6
349.23859	43.0
367.24896	8.3
393.23093	11.1
411.14011	5.7
411.23798	88.5
411.28265	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
65.03990	1.6
80.85749	1.6
81.03475	3.0
83.05009	15.1
93.03454	100.0
102.17847	1.7
111.04511	64.2
127.04020	2.7
137.02451	57.7
137.03477	2.5
155.03506	95.4
217.03578	3.5
255.23297	7.2
279.23227	8.3
411.27567	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
60.49381	1.3
62.52325	1.6
73.02943	3.8
81.03461	6.8
82.37047	1.5
83.05020	18.1
93.03448	100.0
99.00874	2.6
111.04513	53.7
137.02441	74.2
139.50826	1.6
155.03505	63.5
173.04605	3.2
189.64261	1.7
200.40204	1.6
200.57381	1.6
202.63435	1.6
255.23309	54.9
279.23297	23.5
319.71741	2.2
411.27591	84.8
411.32935	3.1
426.74469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50636	2.3
59.01398	17.8
73.02930	2.7
77.71601	2.5
79.29081	2.0
83.01389	26.8
83.54617	2.1
91.42027	2.2
98.53486	2.4
106.34134	2.7
131.03477	4.2
152.99504	3.1
158.26544	2.2
165.22128	2.4
168.07291	2.4
265.75308	2.7
279.23318	100.0
290.17349	2.7
295.22852	18.4
330.11694	2.6
368.76245	3.3
411.27588	22.5
411.33701	4.0
434.07367	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.16356	0.7
57.42890	0.6
59.01383	100.0
64.19080	0.7
69.50735	0.7
75.76281	0.7
78.63138	0.7
99.00880	16.0
105.99566	0.7
127.03994	1.7
136.14679	0.7
151.82303	0.8
153.23572	0.8
211.43976	0.8
281.24936	8.0
411.27258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47777	0.9
59.01382	100.0
79.00034	1.0
89.04829	1.0
92.22534	1.3
105.43044	1.1
105.97402	0.9
161.91690	1.0
195.97813	0.9
218.10341	1.2
223.69493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78495	1.5
67.13950	1.6
81.03459	2.6
83.05025	12.4
93.03452	93.2
95.38773	1.9
111.04517	32.5
137.02448	100.0
139.61504	1.6
139.80455	1.9
152.99586	3.7
153.99939	2.0
155.03506	95.4
213.61093	1.7
255.23314	40.1
319.20950	2.1
377.86731	2.2
411.27551	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24471	1.6
59.01384	100.0
59.01685	3.2
68.78918	1.4
74.82081	1.3
89.24789	1.9
92.13829	1.5
100.97112	1.6
378.95911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	3-methoxy Limaprost
Peak:m/z	Relative Intensity
55.19772	1.5
57.37580	1.7
59.61472	1.2
61.98834	2.6
71.05016	19.4
71.33125	1.5
78.95904	2.1
83.05054	2.0
87.31968	1.5
110.55506	1.5
121.43836	1.6
132.17261	1.7
152.16209	1.7
152.99553	2.2
160.13118	1.6
194.10825	1.6
270.09811	1.7
277.25403	2.7
284.06339	1.7
367.28754	7.0
411.27664	100.0
433.19244	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08148	0.7
51.82401	0.7
52.55040	0.7
59.01383	100.0
68.60223	0.8
75.64523	0.8
98.71907	0.7
141.14113	0.8
152.99588	3.4
155.00044	1.3
209.45338	0.8
209.79652	0.8
279.23370	4.3
427.58292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45996	0.8
59.01381	100.0
61.98836	9.6
64.87720	0.8
65.82450	0.8
76.83738	0.9
87.00871	1.4
120.89168	1.0
128.76617	1.1
138.46109	1.0
174.52766	1.0
180.13995	1.5
198.15010	4.3
217.03397	1.7
305.25836	2.4
305.78519	1.1
333.25482	1.8
351.26553	34.9
352.36014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.60859	1.0
75.16853	0.9
75.61412	1.1
79.23926	1.0
96.96030	1.4
109.36246	1.2
127.04056	1.7
127.32954	1.2
146.13237	1.3
299.28619	1.4
305.26120	1.8
351.22064	3.4
351.26547	39.0
411.14282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86240	0.9
52.44022	0.7
52.86969	0.8
55.01873	4.6
60.31745	0.8
62.94395	1.0
69.69445	0.9
94.10678	1.1
99.00875	100.0
128.48726	0.9
131.94312	1.0
139.83867	0.9
165.52986	1.3
203.32507	0.9
260.42819	1.3
360.99356	1.0
411.31143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10140	1.8
59.01382	28.8
59.58905	1.4
60.13457	1.6
78.95885	1.8
99.04504	28.2
125.02457	2.9
152.99567	2.3
155.03568	2.7
174.60097	1.8
178.80725	1.7
217.03450	2.2
267.26993	9.7
279.23334	8.4
305.32202	1.8
367.32126	10.2
411.31244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95916	1.3
106.47901	1.4
177.54440	1.4
183.12987	1.8
187.78387	1.3
209.56337	1.4
253.21741	100.0
371.73581	1.4
386.73840	1.4
411.35303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13831	1.6
52.32656	1.5
58.95288	1.4
59.81416	1.6
82.72385	1.4
84.64447	1.4
91.82822	1.7
93.68117	1.5
103.80430	1.9
108.02167	7.1
115.78920	1.5
121.02901	1.7
122.03710	7.6
123.04513	17.0
136.01704	2.7
148.04089	3.0
150.03241	2.7
151.03984	18.1
159.92485	1.6
161.02477	2.6
175.04012	2.0
176.03493	6.3
177.04335	1.7
178.05203	2.3
179.01897	3.6
179.03499	100.0
196.80029	1.6
207.06647	8.5
229.03665	1.7
232.06134	10.1
233.04503	2.9
242.26680	2.0
265.04944	2.8
292.03754	3.1
293.04510	24.9
307.06146	10.4
308.06827	15.4
321.03986	14.7
322.08456	9.3
323.09317	31.0
335.05612	2.6
336.06342	6.2
351.08792	34.7
364.04639	3.9
394.09213	23.2
412.10501	44.8
412.19678	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38060	0.8
59.01380	16.6
61.90089	1.0
66.97525	0.9
67.57845	1.0
71.01371	7.1
72.99295	2.3
78.37009	1.1
82.02978	5.0
83.05007	1.1
84.04523	11.6
85.02946	8.1
89.02441	7.9
91.14349	1.2
100.04037	19.2
101.02454	8.5
102.05569	1.5
106.38890	1.1
111.04547	1.9
113.02418	4.5
119.03492	1.6
122.96546	1.3
127.04012	8.4
128.03516	8.0
128.04352	2.3
129.01933	1.5
148.77614	1.4
155.03497	2.6
156.03798	1.3
178.85318	1.1
200.02805	1.7
204.10315	7.0
217.03491	2.5
218.03893	2.1
232.09833	13.5
250.10847	17.6
412.16168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88771	0.9
59.01384	16.9
71.01375	10.7
73.02959	1.1
74.77590	0.7
82.02972	7.6
84.04543	11.2
84.63360	0.8
85.02950	9.8
85.36011	0.7
89.02429	9.2
89.19958	0.7
89.99525	0.8
100.04041	26.3
101.02431	6.8
102.05608	1.3
103.79341	0.7
113.02422	4.5
119.03477	3.2
120.12854	1.2
128.03531	10.3
129.01994	1.0
130.45232	0.8
188.10770	1.5
204.10330	7.1
232.09798	17.7
250.10864	13.3
250.51753	0.9
274.31482	0.9
280.25278	1.0
412.16187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09826	0.4
51.71004	0.4
57.55572	0.5
58.74072	0.5
59.01373	1.3
61.98812	2.1
62.36251	0.5
79.95730	16.2
80.96495	1.1
90.83716	0.5
95.95206	6.7
96.95998	6.9
96.96958	0.7
99.00777	0.6
122.97556	3.2
123.98333	3.4
138.97057	4.3
153.99443	0.7
167.00166	4.8
169.01802	0.7
196.02864	6.5
199.01575	11.0
200.02338	11.4
212.02342	2.5
212.16606	0.9
222.29607	0.5
226.03944	4.4
243.04059	2.9
244.04948	100.0
294.24426	0.9
314.27026	2.2
368.21017	8.1
412.03046	0.6
412.23413	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80586	1.1
63.15796	1.2
66.94553	1.3
67.05418	1.4
72.00906	13.4
72.99299	2.5
79.40083	1.3
82.06622	1.6
122.74717	1.4
129.10349	2.3
130.08737	68.8
139.08800	2.1
140.07170	2.4
142.08740	2.4
155.08316	1.5
168.06697	2.2
197.16536	4.7
199.18196	19.4
207.15021	1.8
225.16034	7.3
243.17204	13.9
294.04105	1.9
340.26202	1.7
368.25916	2.2
412.10529	6.3
412.24631	100.0
427.44040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2498
Annotation	Coniosetin
Peak:m/z	Relative Intensity
68.99797	2.1
81.02200	5.3
89.07744	0.9
92.56980	1.0
98.02491	2.3
122.64535	1.1
124.00387	1.2
138.05565	2.3
138.25749	0.9
147.06953	1.1
148.07660	4.6
150.12006	1.0
229.15970	9.1
268.17087	4.7
297.22195	2.1
324.23364	16.0
340.22696	6.9
350.21350	1.6
368.22379	76.6
373.19150	1.0
403.76086	1.2
412.24997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
93.13665	83.2
93.30756	77.2
130.89702	87.4
188.56133	93.8
239.30826	93.7
282.81512	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12281	5.9
66.31989	6.3
79.89530	7.7
99.92570	78.1
115.92064	8.4
116.92812	29.4
117.12059	7.0
118.89960	84.3
119.90802	10.2
134.89474	58.0
135.90222	18.1
358.12393	12.4
376.13547	100.0
412.11060	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35033	0.6
59.01381	0.6
64.92310	0.7
83.05039	0.7
84.04546	5.9
85.02948	2.6
97.06573	3.1
98.15412	0.6
100.07664	3.5
102.05607	61.1
113.54779	0.6
118.72576	0.6
124.39590	0.6
125.09684	1.0
141.68224	0.6
147.37816	0.7
163.11386	1.0
182.15446	0.7
182.24342	0.7
184.17058	1.5
190.90407	0.7
193.12326	3.8
210.15076	1.0
211.13446	2.4
212.16603	2.8
221.11728	1.4
224.20175	2.9
256.15530	3.2
291.19702	1.3
295.66541	0.6
296.18707	3.5
309.20886	0.8
314.19876	1.5
322.71683	0.8
363.60220	0.8
412.27097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81147	1.0
59.01382	100.0
60.01719	8.9
88.95417	1.1
97.89988	1.2
118.02728	1.1
184.53987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2864
Annotation	Metachromin S
Peak:m/z	Relative Intensity
52.07410	1.1
54.49751	1.0
58.02979	8.4
71.68253	1.0
73.35844	1.0
77.85322	1.0
78.70365	1.2
84.02174	4.3
92.16649	1.3
96.53294	1.2
96.53922	1.1
99.92576	1.8
106.04243	2.2
109.65686	1.1
111.08204	1.3
118.89944	2.5
119.04986	5.2
172.29987	1.2
177.97093	1.2
178.08725	2.4
185.11827	1.8
192.55408	1.2
194.15739	1.2
196.17188	1.6
224.16608	5.5
274.21710	2.1
286.18274	1.8
290.17645	4.6
293.31204	1.3
294.21536	1.9
314.21268	34.8
321.24405	29.0
332.22290	1.4
342.20782	2.2
365.23096	2.3
371.54080	1.2
376.13486	2.1
394.23044	1.6
394.27637	29.6
412.11102	2.0
412.23816	7.3
412.28629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2865
Annotation	Metachromin S
Peak:m/z	Relative Intensity
53.94627	0.6
54.40310	0.8
58.02972	1.7
62.34997	0.6
65.82232	0.7
73.11121	0.7
73.55682	0.7
90.70121	0.8
107.05022	1.1
108.02181	1.1
122.03736	6.1
123.04521	45.2
128.10808	1.1
134.03775	6.4
135.04532	5.1
177.99879	0.8
178.05099	2.9
203.47324	0.7
343.90860	1.0
371.31699	0.8
412.28622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3436
Annotation	CHEBI:83244
Peak:m/z	Relative Intensity
50.35555	0.5
50.39376	0.4
55.19778	0.4
58.02981	1.0
59.01369	0.6
64.27972	0.5
64.29032	0.6
75.69433	0.5
98.96215	0.5
110.02462	0.6
112.04021	0.6
126.05663	0.5
153.12883	1.2
171.13943	0.6
180.17592	0.6
194.15523	1.0
209.38530	0.6
213.19446	0.6
224.16576	100.0
238.14413	0.9
412.31314	1.0
434.59238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61845	0.8
62.36568	0.9
62.53856	0.7
71.01384	1.7
76.84877	0.8
78.95908	8.3
89.02448	1.0
91.42037	0.8
96.69847	1.0
96.96027	1.4
96.96952	18.7
101.02432	1.2
108.02168	23.0
109.02962	16.3
113.02417	1.1
130.64081	0.8
143.48320	0.9
151.04053	1.9
151.05151	5.6
152.01163	47.1
153.01944	37.3
163.04092	1.2
167.27800	0.8
315.07278	100.0
315.11868	4.7
413.11984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38768	0.9
59.01384	8.1
64.77415	1.0
71.01386	13.8
72.99338	1.2
78.95907	20.3
85.02957	1.6
89.02442	11.6
96.96030	2.6
96.96329	2.0
96.96958	57.1
99.00889	1.4
101.02438	6.0
106.91462	1.3
108.02174	20.7
109.02973	20.1
113.02450	5.4
115.00336	7.6
118.23152	1.2
119.03499	5.4
133.01434	7.6
135.06627	2.9
151.04070	2.3
151.05150	15.7
152.01152	38.2
153.01927	64.7
161.04553	1.9
179.05632	1.4
220.70076	1.2
297.11935	15.8
315.07260	100.0
315.11951	19.3
325.75040	1.3
413.13232	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66427	0.4
71.25378	0.6
79.95715	0.6
87.80386	0.5
92.23117	0.7
96.96002	100.0
103.42959	0.5
103.77872	0.6
105.51906	0.5
122.79453	0.5
140.86980	0.6
273.87558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07692	0.3
78.95903	30.4
96.95966	2.5
96.96955	100.0
100.93362	0.6
115.92045	0.6
116.92844	7.6
121.02972	0.5
315.11139	0.5
413.02020	2.9
413.08746	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
84.50943	0.4
85.02970	0.6
101.02429	0.7
106.18456	0.4
120.99648	100.0
131.01724	2.7
134.03725	10.4
145.08759	0.5
148.26625	0.4
149.06068	1.2
151.26199	0.5
186.59860	0.5
193.05087	8.3
219.03311	12.9
237.04451	0.9
272.54767	0.5
321.22665	0.5
347.70276	0.5
356.61075	0.5
413.09186	11.5
413.21802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	futalosine
Peak:m/z	Relative Intensity
50.50175	1.0
62.12362	1.2
62.78629	1.1
69.72499	1.1
71.01361	1.4
79.14194	1.1
81.03475	1.6
85.02967	1.4
85.15796	1.2
105.57548	1.3
108.02168	59.1
108.02873	2.3
109.02946	48.2
115.04012	5.7
129.29877	1.1
151.04050	1.1
152.01147	81.5
153.01938	30.6
163.03951	1.7
233.69182	1.3
241.10912	1.1
315.07361	7.3
413.10959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
59.66940	0.4
67.05768	0.5
78.95905	18.0
79.45261	0.5
83.05032	0.5
87.00862	6.5
90.85294	0.5
96.95986	3.2
96.96954	51.7
100.93362	0.8
105.01929	6.4
115.92036	0.8
116.92852	10.4
119.05015	41.4
121.02889	1.2
124.32851	0.5
145.02945	4.7
153.05582	3.0
158.10852	0.5
163.04008	100.0
205.05246	0.6
251.05650	3.3
315.10730	0.7
316.78598	0.6
325.09280	3.6
326.04346	0.7
413.01974	3.6
413.10938	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44294	0.5
79.01046	0.5
83.62454	0.5
86.87118	0.5
105.01923	1.2
119.05019	49.7
128.44986	0.5
135.04602	0.8
163.04018	100.0
188.03575	0.7
191.05595	1.2
251.05525	1.3
325.09369	4.3
374.76907	0.6
413.10931	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63721	1.0
56.87077	1.0
60.90087	1.0
68.29092	1.0
87.00874	7.0
99.00848	2.3
105.01930	8.1
109.02950	18.9
113.69954	1.1
114.93359	1.2
119.05013	40.6
145.02946	2.5
152.01135	4.3
153.01944	37.7
163.04012	100.0
233.55272	1.1
251.05618	1.5
299.32318	1.2
315.07172	5.3
325.09357	1.7
413.10876	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39905	0.8
54.18009	0.9
57.03443	0.9
59.01385	8.0
67.20441	0.8
68.34185	0.8
69.87358	0.8
71.01386	10.8
72.99291	1.3
75.00872	9.8
85.02944	13.8
87.00853	7.1
89.02406	3.7
93.03482	1.7
95.01368	2.1
96.07629	0.9
97.02914	1.1
99.00863	5.4
101.02422	1.3
103.00383	0.9
108.02178	27.4
109.02950	28.3
113.02441	21.1
115.03982	2.0
119.05020	20.0
145.02963	9.8
151.04022	1.2
152.01151	41.4
153.01944	14.2
163.04022	26.0
165.01956	1.1
173.04491	2.0
175.02509	1.0
191.05603	7.7
197.72057	1.1
237.07790	1.2
249.06169	9.2
267.07230	39.1
283.99927	0.9
315.07172	1.8
411.15689	1.1
413.10934	100.0
413.18112	11.9
413.77997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12048	0.9
59.01385	11.7
59.10233	0.9
71.01381	14.9
75.00862	11.8
75.21728	1.2
83.70779	1.1
85.02936	13.1
87.00890	8.3
89.02434	5.1
95.01370	4.4
99.00871	6.6
109.02984	1.5
113.02444	33.5
114.02760	2.1
115.00355	2.2
116.29688	1.2
117.01969	1.4
119.05022	27.0
129.01903	1.4
145.02968	13.1
153.01990	5.8
163.04022	42.0
175.02444	1.6
181.48015	1.1
196.91739	1.4
201.22241	1.1
207.05135	2.3
237.07808	2.0
248.67159	1.3
249.06184	15.5
267.07257	56.3
267.18402	1.2
310.36041	1.1
405.72391	1.5
413.10974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31160	0.8
59.01385	10.9
68.54491	0.9
71.01385	11.5
72.99312	2.4
75.00871	11.3
76.74724	0.9
85.02943	14.5
87.00856	1.7
88.54495	0.9
89.02429	4.4
95.01368	5.3
99.00871	8.2
103.00338	1.8
108.02157	6.7
109.02943	4.4
111.09626	1.1
113.02444	33.3
117.01910	2.2
119.05025	29.5
126.31219	1.1
145.02927	11.6
152.01164	10.5
153.01955	2.0
163.04008	44.6
175.02443	2.3
207.05109	1.3
237.07738	1.7
249.06151	15.6
267.07217	59.3
413.10925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58257	0.7
56.01627	0.9
59.01380	16.3
65.66051	0.9
67.34503	1.0
71.01369	4.5
75.00893	1.9
85.02951	5.1
87.00871	1.9
89.02448	2.2
92.79050	1.0
97.45202	1.0
99.00879	1.7
101.02451	0.9
113.02438	11.6
119.05013	4.9
142.22897	0.8
145.02948	4.7
147.92415	0.9
163.04059	6.9
176.01155	62.3
191.03519	100.0
219.54697	1.2
249.06070	1.0
267.07224	23.5
363.88766	1.1
413.10791	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04324	0.6
59.00473	0.8
59.01375	1.2
60.38372	0.6
71.01370	0.9
72.99297	2.0
73.02960	0.8
74.37065	0.8
83.01351	0.8
85.02940	1.7
99.46185	0.8
101.02415	1.8
104.07757	1.0
108.02174	51.3
109.02950	42.2
113.02452	1.1
115.03971	4.1
123.04494	3.6
133.02988	1.2
135.04501	0.9
151.00352	1.0
152.01154	74.8
153.01935	28.2
163.03937	1.4
167.03474	5.3
179.03563	1.0
197.04539	5.1
315.07211	6.5
340.16064	0.9
413.10797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81161	0.7
59.01378	3.6
67.01887	3.8
71.01374	1.9
85.02951	1.5
93.06453	1.0
96.76520	0.9
101.02419	0.9
111.00872	100.0
120.99654	1.7
121.43532	0.9
124.01634	1.1
139.03993	1.7
166.97842	0.9
283.84491	0.9
401.55365	1.0
413.18375	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.9
63.98071	1.1
64.15129	1.1
71.01376	17.2
75.00875	12.1
77.75208	1.4
81.27928	1.2
85.02946	20.5
87.00866	8.3
89.02427	7.7
95.01381	6.0
99.00865	5.8
103.00351	1.8
113.02454	36.9
117.01923	2.5
119.05019	34.2
145.02979	19.9
163.04019	44.5
175.02541	2.2
176.06694	1.4
249.06119	14.6
267.07230	55.6
395.96423	1.5
413.10950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75249	0.4
64.14023	0.4
67.01891	4.0
71.01375	2.1
73.02930	0.7
74.21310	0.4
84.85020	0.6
85.02948	1.8
111.00870	100.0
113.02382	0.6
123.00861	1.1
124.01640	2.6
138.03227	2.7
138.72902	0.5
139.04018	5.1
140.57001	0.6
147.69777	0.5
161.04489	1.7
231.61221	0.5
301.09308	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92299	0.7
59.01360	0.9
62.52958	0.7
71.01391	1.0
85.02941	1.6
95.01385	1.0
97.02984	1.3
101.02443	0.9
108.02175	55.1
109.02954	43.6
113.02427	1.9
115.04005	4.3
115.78433	0.9
141.69466	0.8
151.03976	1.2
152.01158	79.1
153.01944	30.4
163.03976	1.2
164.84641	0.9
268.28473	1.0
315.07355	7.3
332.03775	1.0
413.10944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92727	0.4
63.75833	0.5
68.32588	0.5
71.01383	0.6
74.58852	0.5
87.59027	0.5
90.69124	0.4
92.22525	0.7
100.32218	0.5
105.01941	2.9
110.89289	0.5
113.02441	0.9
119.05023	47.1
123.04477	2.0
130.30699	0.4
153.01938	0.7
153.05585	2.3
159.13872	0.6
163.04018	100.0
209.72401	0.5
248.80402	0.6
251.05565	2.8
325.09360	4.8
373.21826	0.5
408.04559	0.6
413.10947	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1225
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
52.00698	4.5
56.93011	5.5
69.19845	5.4
81.16223	5.8
131.64140	7.7
145.53990	5.8
151.05119	7.6
193.36436	7.2
231.51369	6.5
402.56772	7.1
413.12299	100.0
422.37201	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1304
Annotation	Flecainide
Peak:m/z	Relative Intensity
51.88493	2.0
59.01377	34.9
59.82207	1.7
60.09770	1.7
71.01009	3.8
71.01378	69.9
72.99307	12.0
73.02952	4.7
78.10827	2.0
82.72835	2.0
85.02943	4.0
89.02440	56.5
101.02453	33.7
108.24532	1.9
113.02422	19.3
115.00357	34.0
118.77114	2.0
119.03487	26.5
133.01430	39.3
133.05067	2.6
135.06667	24.8
146.23016	2.5
161.04561	3.8
161.23875	2.0
179.05586	10.5
253.45760	2.4
261.72845	2.1
265.10471	2.1
280.49088	1.9
297.11923	79.9
413.13022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	83.8
71.01370	70.2
73.02948	4.5
76.67004	3.1
80.68457	3.2
80.76559	4.1
83.01372	4.5
83.33736	3.0
85.02966	20.5
87.00900	4.0
89.02435	59.0
101.02456	40.4
113.02454	37.8
115.03988	4.2
119.03518	26.6
149.05983	4.4
151.04001	4.4
151.05118	5.8
161.04507	14.7
176.04729	13.7
179.05611	21.3
188.04793	50.1
188.65018	3.9
189.09244	8.0
191.07153	97.9
197.89983	4.8
200.04845	8.2
200.60670	3.6
203.07144	32.1
206.09494	24.2
207.10205	7.6
218.05843	5.2
221.08205	100.0
233.08176	20.7
236.06845	8.8
251.06891	4.1
251.09306	73.5
413.14865	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65494	0.3
72.00087	0.3
77.69642	0.3
83.41522	0.3
106.14258	0.3
115.04013	0.7
122.03674	0.3
123.04516	41.9
153.05573	100.0
173.48578	0.3
195.96565	0.4
315.10919	8.3
342.50760	0.4
413.15167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37923	0.7
51.93646	0.7
59.19790	0.7
71.01382	3.9
73.45637	0.9
80.05051	1.0
85.02947	1.2
95.51051	0.9
97.02946	7.9
104.98134	0.9
108.04550	25.6
109.04083	2.0
115.04003	27.3
121.04082	1.3
123.06752	0.9
132.04564	3.4
133.04074	11.5
137.03520	1.3
138.05614	1.1
141.15192	1.1
148.02809	1.8
150.05603	13.0
151.05128	100.0
155.85229	0.9
163.05101	6.5
175.05145	5.6
181.06223	2.2
193.06180	14.5
206.09485	4.1
207.10277	1.9
211.07260	14.5
237.08720	1.7
247.79121	1.0
297.10953	26.0
315.12012	70.3
413.15665	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72392	0.8
59.01388	0.9
61.34636	0.8
66.03499	0.9
71.01374	1.1
77.75732	0.9
79.40695	1.1
85.02934	4.2
94.09764	1.0
97.02939	8.3
108.04552	27.3
109.04059	2.1
115.04000	27.2
120.04510	1.5
121.04074	1.3
126.36263	1.1
126.76468	1.0
132.04541	5.1
133.04083	11.9
135.05650	0.9
137.03549	1.6
138.05569	1.2
148.02814	1.9
150.05597	10.1
151.05132	100.0
158.77844	0.9
163.05142	3.8
163.63702	1.0
165.06787	0.9
168.06610	0.9
175.05098	5.0
181.06239	3.3
193.06212	12.6
211.07294	13.9
237.08714	1.4
297.10944	22.5
315.12024	65.6
413.10471	1.8
413.15689	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1973
Annotation	Eplerenone
Peak:m/z	Relative Intensity
73.43001	1.0
79.47035	1.1
99.19608	1.0
118.79443	1.1
118.89977	1.9
161.06062	1.2
186.78934	1.2
188.08499	1.4
198.06816	1.1
198.76575	1.2
201.09196	11.4
203.10802	25.2
227.10817	1.9
234.09024	1.3
241.12387	6.6
242.13066	1.8
255.13919	14.8
256.14713	100.0
277.25372	10.0
282.16214	1.3
297.15536	1.1
300.13721	4.6
310.19385	12.4
321.24216	1.3
325.21692	10.8
339.25494	4.7
369.20740	52.1
413.11172	3.7
413.19748	94.1
413.28824	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2104
Annotation	Isocinevanine
Peak:m/z	Relative Intensity
51.62718	0.7
59.01384	2.0
59.96277	0.7
75.55502	0.8
78.95898	1.6
81.64768	0.8
96.95994	3.2
114.41370	0.8
118.89964	1.3
151.90996	1.1
152.99591	22.9
220.33891	1.2
221.91942	0.8
277.21753	100.0
312.89630	1.0
369.24609	1.1
377.13675	1.1
413.20901	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2101
Annotation	Isocinevanine
Peak:m/z	Relative Intensity
58.74802	0.5
59.01374	2.4
62.71174	0.5
70.45557	0.5
76.79884	0.5
78.95885	1.3
93.03423	1.0
100.62212	0.5
116.92784	0.9
130.94463	0.6
152.99594	21.8
154.06477	0.6
250.36269	0.6
277.21759	100.0
280.70038	0.5
351.13397	0.6
377.13147	0.6
395.88333	0.6
413.11636	1.4
413.20972	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2102
Annotation	Isocinevanine
Peak:m/z	Relative Intensity
51.21473	0.6
51.78532	0.7
56.39701	0.7
59.01371	1.4
62.39657	0.7
64.42477	0.7
67.21374	0.7
78.95904	1.5
93.12117	0.6
96.95985	0.8
152.99591	24.1
185.86163	0.7
277.21747	100.0
278.14740	0.8
387.14175	0.8
413.21060	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
78.95914	2.0
79.84808	0.7
80.46185	0.8
94.55740	0.9
107.60783	0.9
112.22956	0.8
152.99586	26.4
201.83752	0.9
277.21735	100.0
413.21017	40.9
435.27832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98842	0.8
78.95927	1.8
81.86860	0.7
91.82191	0.7
103.81220	0.7
126.13622	0.7
131.07137	1.0
152.99586	26.0
224.68617	0.9
225.26401	0.7
277.21750	100.0
355.70071	0.8
380.51651	1.0
399.43994	0.9
413.20956	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26276	0.6
59.01382	1.5
59.88240	0.7
68.47425	0.7
78.49277	0.7
78.95907	3.0
96.95995	12.3
99.92558	1.1
100.92590	1.1
101.14007	0.9
118.89988	3.4
119.90021	1.1
152.99579	24.5
157.01956	0.8
162.20638	0.9
176.22400	0.9
277.21738	100.0
377.13773	3.8
413.11984	1.4
413.21002	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28933	0.7
56.78934	0.7
59.01382	100.0
62.24940	0.8
64.54902	0.8
71.01383	6.6
73.02921	1.0
77.92107	0.8
82.31440	0.9
84.40429	0.9
85.02953	4.8
89.02440	5.1
99.00877	1.7
101.02399	6.3
113.02431	5.8
113.03156	0.9
160.13048	0.9
161.04541	1.0
183.90613	0.8
193.04314	0.9
200.10829	0.9
207.21269	0.9
209.15591	1.4
218.21451	0.9
353.19748	3.6
371.20764	6.5
413.14902	7.5
413.21622	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37192	0.8
57.84289	0.7
59.01382	100.0
63.15179	0.6
71.01379	3.2
73.02950	1.4
81.89887	0.7
85.02937	1.4
89.02405	1.4
101.02448	3.6
113.02462	1.0
128.45372	0.7
132.85556	0.8
163.63518	0.7
289.39880	0.7
297.58017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2338
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
59.81205	1.6
60.36917	1.7
66.00828	1.9
92.02670	7.2
93.03442	24.8
95.01348	2.7
97.42944	1.9
108.02164	3.9
108.36510	1.8
116.07114	2.0
131.30415	1.9
135.95732	2.4
136.01663	24.5
137.02444	100.0
166.82356	2.3
186.50674	1.9
272.98447	2.1
275.20319	2.7
293.21121	3.6
297.24326	10.0
300.05728	2.1
330.98499	2.1
413.17844	3.1
413.23404	78.9
413.28732	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64976	2.4
54.65709	2.4
59.01101	4.9
59.01385	100.0
63.64562	2.4
74.90974	2.4
77.40688	2.3
78.30714	2.2
119.28921	2.8
156.38290	2.6
324.54160	2.9
363.38467	3.0
373.13086	3.3
413.30960	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51538	58.3
53.80821	56.3
56.41299	67.6
58.77222	59.9
59.01377	100.0
159.10298	84.5
177.75752	78.6
272.86057	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67806	86.5
50.95207	69.4
55.15832	72.3
92.47053	78.2
92.66631	74.6
96.65284	83.1
98.25269	100.0
286.31421	80.1
336.78229	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11648	0.6
59.01382	100.0
65.51416	0.6
68.38171	0.7
71.65433	0.7
75.00870	5.2
148.66908	0.7
190.02899	0.9
215.80367	0.8
273.18686	4.2
293.21289	29.6
320.05603	1.0
353.23373	58.1
365.87128	0.9
413.17935	1.6
413.25647	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82916	0.9
52.63707	1.0
55.22083	1.4
57.03458	1.3
59.01383	100.0
63.52416	1.2
64.03082	1.1
69.61145	1.0
69.92898	1.1
83.05037	2.0
87.04513	1.3
88.61222	1.3
89.02471	1.5
96.22973	1.4
97.06586	9.9
111.04419	1.2
119.05003	1.3
135.08263	1.4
139.07639	9.2
141.09250	2.2
150.25455	1.2
163.03928	1.4
163.11353	1.4
201.11348	1.4
211.13400	2.0
235.91791	1.3
266.40369	1.1
293.21274	2.3
301.52747	1.2
317.21469	2.1
353.23438	19.1
413.25555	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94794	1.2
57.14864	1.4
57.84496	1.4
59.01386	1.6
61.98835	100.0
148.88205	1.6
152.66525	1.6
232.56322	1.7
251.20111	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23927	0.2
54.89362	0.3
59.01369	1.4
59.13837	0.2
69.98448	0.2
74.11628	0.2
74.24164	0.2
106.66002	0.2
135.04581	0.3
162.99339	0.3
179.24919	0.3
205.07076	0.3
241.58534	0.3
255.23358	0.5
259.20688	0.5
275.20007	0.4
277.21741	100.0
279.23267	1.4
281.25046	0.3
301.23016	0.3
329.25888	0.4
336.24979	0.3
386.28033	0.5
413.26834	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70142	0.9
52.66653	0.9
53.62613	0.8
53.74876	0.9
57.49184	1.1
59.01385	5.3
68.93324	1.2
79.38384	1.2
99.25700	1.2
109.06539	1.4
112.64498	1.1
121.10223	16.4
154.55888	1.3
171.10260	31.7
183.10249	2.1
183.13934	18.3
211.13460	4.7
221.58093	1.2
231.21167	1.5
235.17053	26.0
249.18857	1.2
275.20197	66.9
291.15988	5.1
293.21265	100.0
343.41220	1.2
395.26077	2.9
413.27280	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73701	1.1
59.01384	100.0
64.50267	0.9
81.33273	1.1
93.91745	1.2
107.74318	1.2
111.60805	1.2
139.35487	1.3
172.07294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33620	1.1
51.54380	1.2
59.01383	100.0
69.92860	1.1
73.22066	1.4
73.36195	1.2
95.95909	1.4
191.19971	1.4
322.32016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06845	0.5
50.25866	0.5
51.81407	0.5
59.01387	3.7
65.96758	0.5
79.24820	0.5
84.93575	0.5
97.02943	3.0
115.04016	3.6
116.92857	2.1
149.70566	0.5
157.05046	0.8
166.58865	0.5
255.23314	100.0
261.48557	0.6
277.21735	27.9
279.23178	1.1
281.24811	0.9
353.26889	0.6
371.27985	5.8
413.28522	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07318	0.6
54.99736	0.8
56.21021	0.7
56.97721	0.7
58.27752	0.8
59.01382	48.8
73.02452	0.8
81.20892	0.7
88.04365	0.7
99.95992	0.7
112.85369	0.7
144.20021	0.7
253.25423	0.9
255.23314	100.0
281.24863	4.4
284.29874	0.8
312.59686	0.9
413.32635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49683	1.0
59.01390	0.8
60.45588	0.9
61.22541	0.8
62.28734	1.0
71.52536	0.9
74.72378	0.8
75.00934	0.9
75.06861	0.9
80.39337	1.0
85.90345	0.9
89.81182	1.0
141.74496	1.1
151.32225	1.0
157.05061	7.9
223.44221	1.2
255.23280	1.8
281.24884	100.0
295.26279	1.4
306.75748	1.0
413.29218	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
86.80486	0.8
97.06586	1.0
115.02624	0.6
125.09727	23.4
142.12361	1.3
167.14401	13.2
168.10362	1.0
173.28401	0.9
184.17067	1.3
186.11365	75.5
197.11900	1.2
209.06100	1.4
210.15053	2.8
211.13411	22.2
214.14543	1.3
228.16052	100.0
229.14439	12.4
369.22705	1.2
385.40219	0.9
395.29303	2.7
403.22830	0.7
413.16562	0.8
413.21609	1.4
413.30112	2.5
423.43774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95082	0.3
87.88720	0.4
97.06577	0.4
123.93682	0.4
170.11859	1.8
172.09851	0.9
181.15993	14.1
198.18562	0.8
224.16583	3.4
225.14978	33.3
242.17638	100.0
243.16006	3.6
298.68298	0.4
320.47308	0.5
395.29288	1.8
413.30301	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94915	1.0
59.01378	2.7
59.58741	1.1
67.79697	1.2
72.99222	1.1
87.59418	1.1
89.20834	1.2
115.31821	1.2
115.32761	1.2
117.59771	1.3
125.09647	1.5
139.11279	10.6
149.86414	1.3
150.05093	1.3
153.12866	12.7
183.10269	8.1
184.54004	1.4
197.11865	16.1
200.12930	48.9
214.14499	100.0
215.12936	9.9
218.54947	1.3
220.66205	1.3
249.07617	1.5
258.85800	1.3
275.97739	1.2
308.82425	1.4
389.99756	1.4
429.49893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58353	0.8
56.25497	0.8
59.01392	4.0
64.18945	0.9
77.09937	1.0
96.96004	1.8
125.09657	1.4
133.00696	1.0
152.10820	1.5
167.14403	52.4
184.17145	1.3
194.15540	5.2
211.13414	74.1
228.16051	1.3
229.14452	38.2
242.17574	1.4
307.66003	1.0
320.25851	1.9
363.26529	1.9
364.24963	7.6
381.27625	100.0
413.21768	1.9
413.30319	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85709	0.4
53.76780	0.5
110.43657	0.6
142.30437	0.6
175.82719	0.7
212.50516	0.6
242.56767	0.6
255.23315	100.0
320.62000	0.7
358.80579	0.6
413.32922	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95153	0.4
73.18481	0.4
89.10242	0.4
124.44025	0.5
156.78596	0.5
175.09694	0.5
255.23314	100.0
413.32700	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1046
Annotation	Dafadine-B
Peak:m/z	Relative Intensity
59.23594	0.7
63.47412	0.6
63.70784	0.7
71.01369	6.3
84.72897	0.7
89.78524	1.0
92.22501	0.9
92.22961	0.9
93.03436	1.6
104.44524	0.8
114.99673	1.2
115.00365	14.3
117.22380	0.8
118.02957	1.5
122.63890	0.8
132.01654	0.8
136.04042	100.0
137.02441	4.6
146.06126	1.7
164.07185	8.0
175.97725	0.9
208.06152	11.1
225.35635	0.9
228.82855	0.7
235.32953	0.8
246.88478	0.8
252.05147	9.1
260.11618	0.9
278.88779	0.8
396.09497	1.1
410.81830	1.0
414.10468	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12503	0.5
71.01389	5.7
77.72440	0.5
88.54167	0.5
90.46206	0.5
92.79603	0.6
93.03429	1.2
114.01952	0.8
115.00362	13.2
116.03893	0.5
118.02979	3.3
132.02986	0.7
136.04042	100.0
137.02441	4.5
146.06122	1.0
164.07162	7.0
189.52660	0.6
208.06166	12.5
234.04074	0.9
252.05190	8.5
414.10452	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12503	0.5
71.01389	5.7
77.72440	0.5
88.54167	0.5
90.46206	0.5
92.79603	0.6
93.03429	1.2
114.01952	0.8
115.00362	13.2
116.03893	0.5
118.02979	3.3
132.02986	0.7
136.04042	100.0
137.02441	4.5
146.06122	1.0
164.07162	7.0
189.52660	0.6
208.06166	12.5
234.04074	0.9
252.05190	8.5
414.10452	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33052	0.2
57.84542	0.2
66.34184	0.2
76.24051	0.2
78.61411	0.2
85.02899	0.2
97.02927	0.4
115.03994	1.8
124.01655	11.0
137.01161	1.9
153.00685	0.5
154.01460	100.0
193.05852	0.2
292.25409	0.3
316.06750	1.2
328.69064	0.2
414.10461	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98653	0.4
53.79329	0.4
71.01370	5.1
73.74979	0.5
88.04020	0.6
93.03423	3.0
95.98435	0.5
115.00361	14.3
118.02989	2.3
127.71684	0.6
136.04044	100.0
137.02429	6.3
146.06119	2.4
164.04274	1.1
164.07175	7.9
208.06146	11.9
234.04063	0.8
248.03676	0.5
252.05176	6.7
290.86218	0.6
296.77634	0.5
396.09735	2.0
414.10461	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74284	3.4
64.00214	3.8
67.55202	4.0
76.29008	4.1
93.15566	4.5
99.92580	64.9
108.82964	4.3
113.44118	4.1
115.92066	25.1
116.92859	22.6
118.89952	70.3
119.90745	5.6
121.38093	3.9
126.11240	5.0
134.89465	73.0
135.90273	30.4
143.98160	4.6
148.08652	4.0
223.20895	5.6
360.13971	20.2
378.10239	6.0
378.15002	100.0
414.12735	46.8
414.28528	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1921
Annotation	Miyaconitine
Peak:m/z	Relative Intensity
59.01102	5.8
59.01380	100.0
63.58024	4.1
75.45581	4.3
80.52303	4.0
98.54943	4.4
106.79913	3.9
121.02927	4.3
134.03786	5.1
137.02443	20.9
143.68730	4.3
149.02438	7.8
161.01976	3.9
191.13431	4.4
292.13342	6.2
303.38232	4.2
314.41281	6.1
325.13235	6.6
339.14706	32.0
340.15457	20.8
354.17102	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	96.8
61.61991	59.0
65.45171	64.6
71.01403	100.0
84.31311	62.1
92.23185	87.8
102.45473	56.9
111.99428	68.9
130.42982	54.3
173.04649	70.4
223.68277	60.9
237.73631	60.7
312.58542	73.3
338.10602	86.1
339.36487	66.6
414.14661	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	96.8
61.61991	59.0
65.45171	64.6
71.01403	100.0
84.31311	62.1
92.23185	87.8
102.45473	56.9
111.99428	68.9
130.42982	54.3
173.04649	70.4
223.68277	60.9
237.73631	60.7
312.58542	73.3
338.10602	86.1
339.36487	66.6
414.14661	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26258	0.5
59.01361	0.7
61.98831	100.0
100.92181	0.6
101.23076	0.5
101.60570	0.5
112.64207	0.5
212.13565	0.5
398.80963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43730	0.5
54.28915	0.5
56.65018	0.6
59.01365	1.0
59.14384	0.6
61.98831	100.0
79.75939	0.5
89.88487	0.6
97.85065	0.6
102.62571	0.7
112.65070	0.6
117.01746	0.7
123.34815	0.7
125.42055	0.6
128.12634	0.8
137.69360	0.6
248.57729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
59.23419	0.7
71.01381	4.2
73.02944	4.7
82.02988	3.9
86.35321	0.8
92.23092	1.7
98.02476	100.0
99.00861	1.8
106.03925	0.8
112.04030	3.6
113.12331	0.8
115.00490	1.0
124.04063	1.7
142.05103	20.7
144.20888	0.9
154.05115	1.5
253.21870	1.4
265.21704	1.1
297.24432	0.9
298.24722	11.3
378.26877	1.1
396.27597	16.6
414.28693	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28787	0.9
60.30500	1.1
70.06600	1.4
71.47483	1.1
72.04549	2.7
73.02943	16.7
80.98111	1.2
82.06614	5.3
88.04038	6.1
94.60718	1.1
114.05621	1.6
119.73674	1.2
139.89734	1.2
142.05037	1.1
144.06621	1.9
186.70526	1.1
223.20656	9.9
235.20586	1.6
253.21767	5.6
288.27011	2.4
298.24704	1.6
368.28091	11.6
386.29251	5.3
414.28647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.8
59.01387	1.1
65.92162	0.5
70.79213	0.5
71.01907	0.6
71.30975	0.5
75.62730	0.6
84.04540	6.2
85.06564	0.6
92.22553	0.8
99.08138	1.1
100.07668	1.5
102.05602	55.2
102.61338	0.6
103.69808	0.5
126.69820	0.6
161.28299	0.6
184.17111	0.7
193.12350	4.9
210.14890	0.9
211.13406	3.3
212.16670	2.3
224.20198	2.7
293.21381	1.0
296.18726	3.9
311.22339	3.9
314.19788	2.8
379.24561	0.6
390.05322	0.6
414.28650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3018
Annotation	Myxalamid A
Peak:m/z	Relative Intensity
58.02976	5.2
64.90823	1.1
96.68627	1.1
119.05010	5.2
125.09701	2.6
154.12392	1.8
170.11893	5.4
178.08778	2.3
184.13454	9.6
185.27122	1.2
258.15201	1.8
274.18213	9.5
290.17673	29.6
294.24515	2.8
302.17661	9.2
337.41211	1.3
396.29117	32.5
414.30206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3018
Annotation	Myxalamid A
Peak:m/z	Relative Intensity
58.02970	1.1
60.25482	0.4
63.60177	0.4
78.93649	0.4
107.05029	0.9
108.02167	0.8
122.03719	3.6
123.04512	45.2
129.02290	0.5
134.03705	0.9
134.78641	0.4
135.04518	3.8
152.07169	1.6
187.52037	0.5
212.40750	0.5
414.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92737	0.8
57.26583	0.6
58.18991	0.7
59.01378	1.1
71.55107	0.7
73.02946	9.1
82.73128	0.7
96.08161	0.9
98.09741	3.9
102.88593	0.7
110.09744	1.3
112.07681	1.2
116.07165	19.6
126.09221	1.3
152.99574	1.5
160.09776	10.0
223.20633	7.2
225.22336	1.1
253.21764	4.4
272.13889	0.8
277.21616	1.0
278.22055	12.1
290.77762	0.8
315.83539	0.9
327.51743	1.2
396.31461	5.7
414.21347	4.9
414.32333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.1
63.01547	0.5
66.66698	0.5
71.04990	0.5
73.02948	8.1
79.93269	0.5
85.02953	0.9
85.59564	0.5
96.08180	1.1
98.09742	3.1
99.92582	1.2
100.93343	0.7
101.06088	0.6
110.09743	2.2
115.92052	1.1
116.07162	21.8
116.92863	0.7
120.89675	1.3
126.09260	0.6
142.08725	0.7
160.09776	9.1
203.51202	0.6
221.57167	0.6
223.20691	5.1
235.20619	1.9
244.35997	0.6
253.21719	5.5
267.23236	0.7
376.13400	1.0
396.31262	4.8
414.11136	1.2
414.32297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
59.49572	0.7
60.04527	2.9
71.05015	19.1
72.04540	3.2
73.02936	1.8
77.80924	0.8
86.02487	0.9
88.04024	5.9
97.02952	1.0
98.03722	0.8
103.68777	0.8
110.65461	0.7
112.07710	3.6
116.07188	10.6
117.05565	21.8
118.18019	0.8
137.87750	0.8
142.08763	3.9
146.32516	0.8
158.08244	1.8
160.09792	24.9
172.09805	12.5
223.20746	4.4
253.21811	11.5
265.21634	6.1
338.59183	1.1
350.69504	0.9
414.32391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96669	1.4
59.01386	1.7
60.53223	1.7
71.01382	2.1
75.94083	1.7
79.88310	1.8
84.93893	2.1
97.21718	1.8
99.92570	31.8
100.92724	3.9
100.93356	76.4
115.92071	83.4
116.92845	81.5
116.93494	1.6
123.04508	12.4
124.04019	9.8
141.93616	2.6
142.94408	10.9
149.02469	4.3
151.04024	11.8
153.05557	20.1
154.19818	2.0
163.03926	2.7
165.25134	1.8
169.93150	18.1
170.93884	2.8
205.96802	2.6
206.97418	2.0
220.99013	2.9
226.96576	2.9
230.19133	1.9
232.95584	3.0
234.97229	5.3
235.97861	15.2
236.98592	47.4
242.96117	3.3
243.96768	6.5
244.97589	2.1
253.12003	20.4
325.14215	6.4
379.01282	25.3
397.02298	20.8
415.03458	100.0
415.12570	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42282	0.7
66.55457	0.8
71.05011	1.4
81.25980	0.7
85.02954	8.2
85.39371	0.7
86.34640	0.9
93.03457	12.2
97.02941	21.8
115.03999	100.0
128.61899	1.0
130.16426	0.8
137.01445	1.5
137.02452	39.3
142.75935	0.7
234.40750	1.0
415.14169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
71.01410	1.3
115.03983	1.2
134.03735	41.6
136.31587	0.9
149.06067	38.5
169.49339	1.2
178.02722	20.6
181.05077	1.5
193.05064	100.0
219.68018	1.1
253.07144	1.1
355.10294	9.8
415.12982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77859	0.5
59.01384	4.6
64.83752	0.5
69.17337	0.5
71.01382	0.9
73.46306	0.6
74.18966	0.6
82.02185	0.5
84.19154	0.5
85.02948	1.1
89.02438	2.5
97.02941	1.1
99.92582	3.0
101.02462	0.8
115.03984	6.4
116.92852	49.1
118.06828	0.6
123.00871	1.0
123.04520	4.0
139.00394	3.1
140.01157	67.3
141.01942	0.9
151.04050	0.8
152.01169	0.8
153.01892	0.6
155.03499	100.0
169.01447	0.8
171.03105	0.6
175.17041	0.7
179.07109	0.6
191.05508	0.9
193.04929	1.2
207.94673	10.7
214.67149	0.6
221.08185	1.4
223.02480	1.0
234.29045	0.7
234.93236	0.9
235.94234	1.4
251.09343	0.8
265.07211	1.3
317.08798	18.0
355.10379	0.7
396.98618	0.7
397.07678	1.4
414.99796	34.3
415.12494	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99553	2.3
59.01384	14.6
59.23935	2.4
59.80630	2.6
63.20123	2.4
63.57547	2.3
67.40081	2.3
69.58799	3.0
70.81441	2.7
71.01391	13.3
73.10494	2.4
73.51152	2.6
73.95563	2.3
74.68643	2.5
79.58958	2.7
89.02431	24.3
99.00870	26.7
101.02440	4.8
104.03139	2.6
108.79322	2.7
113.02435	11.2
119.03475	5.9
136.04880	3.0
136.09410	3.0
140.01151	33.9
155.03502	29.2
191.05589	6.5
228.14644	3.3
237.86147	3.6
260.96844	3.0
317.08701	10.8
379.16177	100.0
415.13779	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.138
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
56.65155	3.4
57.99897	3.2
60.50906	3.4
64.17564	3.1
69.42701	3.8
85.05443	4.1
89.56570	3.7
89.92018	4.1
136.51067	4.1
139.76053	3.8
204.02562	3.9
347.82825	4.5
349.02658	4.6
352.52280	4.3
415.13748	100.0
422.73468	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
71.01370	3.6
90.99900	2.2
106.98892	2.2
117.25437	2.5
128.46776	1.9
181.65894	2.5
182.09627	2.3
200.71413	2.1
395.55206	3.1
415.13776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1405
Annotation	Alnumycin
Peak:m/z	Relative Intensity
51.21220	1.6
53.75521	1.4
59.01136	1.3
59.01381	14.7
63.60666	1.7
75.97783	1.4
80.44151	1.7
88.77795	1.9
103.00386	8.9
103.27850	1.9
117.03455	3.0
132.05771	2.2
145.06581	4.0
151.11267	17.2
169.12349	71.8
184.68976	1.6
213.11336	44.2
220.91496	2.0
250.33328	1.8
263.16568	10.9
266.05881	7.5
268.07407	2.6
279.19824	4.0
280.07306	2.6
281.04926	15.0
281.07831	15.1
296.06903	60.7
296.10266	2.9
311.09305	94.2
326.11630	27.1
341.13928	14.1
371.17178	2.7
385.12881	12.3
415.14093	100.0
415.23242	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1416
Annotation	Angustisepalin
Peak:m/z	Relative Intensity
52.12990	0.6
59.01388	0.8
68.38533	0.6
81.58735	0.6
84.87778	0.6
85.71152	0.6
105.01904	1.1
116.05020	1.1
138.08896	0.9
139.01570	0.6
185.07205	100.0
194.59895	0.7
212.08241	0.7
214.09900	3.9
242.09367	48.5
279.19666	0.8
323.98193	0.8
371.10818	1.3
371.15155	20.6
415.14133	37.6
415.23459	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00380	0.6
59.01384	45.3
62.32376	0.6
69.03448	0.6
71.01379	24.5
72.99273	0.7
73.02939	3.4
77.74816	0.7
81.03458	0.9
83.01385	1.6
85.02943	5.5
87.00873	5.1
89.02438	36.0
95.01391	1.6
97.02952	2.9
99.00877	1.2
101.02441	25.7
113.02457	10.0
119.01595	0.7
119.03481	5.7
125.02438	5.0
131.03510	1.1
143.03529	0.9
161.04611	4.9
179.05650	5.0
180.64439	0.7
191.05559	2.9
196.97736	1.1
201.90111	0.7
221.06720	2.9
228.99983	0.7
235.08228	2.9
247.83946	0.7
253.09290	3.3
305.57523	0.8
317.05545	4.2
336.98712	0.7
382.15915	0.9
415.02094	3.2
415.14615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
68.48566	0.6
69.03458	0.9
71.01380	25.9
73.02919	3.7
81.03379	0.8
83.01389	3.5
85.02946	7.3
87.00867	4.9
89.02438	34.8
95.01363	1.0
97.02939	1.8
99.00860	1.5
101.02438	29.2
113.02448	13.1
115.04990	0.7
119.03492	10.2
125.02405	7.0
131.03487	0.9
136.43135	0.7
143.03467	2.9
149.40437	0.8
161.04527	4.3
172.81163	0.8
179.05620	5.5
189.48434	0.7
193.40848	0.8
221.06662	4.3
235.08289	1.6
253.09337	3.5
255.16081	5.9
257.17615	3.3
304.94934	0.9
350.12662	1.0
415.14603	100.0
438.29605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49799	1.0
57.03454	1.2
59.01102	2.2
59.01383	46.0
60.25800	0.9
61.55553	0.9
71.01380	27.0
73.02943	4.7
83.01403	2.5
85.02952	4.6
87.00876	6.3
89.02438	38.9
89.02963	2.1
95.01369	1.2
97.02947	2.7
99.00889	1.1
101.02448	28.1
113.02459	13.5
119.03502	8.2
125.02415	5.7
143.03528	2.5
144.09856	1.0
152.99579	13.8
161.04543	2.8
179.05673	5.5
187.50589	1.2
196.65869	1.3
221.06691	5.1
235.08296	2.2
253.09450	1.4
279.23322	83.1
415.14624	100.0
415.22589	26.4
415.28949	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51373	0.9
58.48490	0.8
59.01384	45.4
60.03516	0.8
64.86813	0.8
71.01380	27.6
71.24278	1.0
72.99303	1.1
73.02949	5.1
83.01363	1.2
85.02940	6.1
87.00867	4.4
89.02439	37.1
97.02940	4.6
99.00867	1.2
101.02428	25.7
110.38372	1.0
111.53515	0.9
113.02446	11.4
119.03452	7.9
125.02425	4.6
138.02036	1.0
141.01929	1.1
143.03526	2.0
154.71999	1.0
160.36607	0.9
161.04518	2.1
179.05594	4.0
210.95752	0.9
221.06680	2.3
235.08244	1.9
253.09149	1.7
263.07825	1.0
397.29395	2.3
415.14630	100.0
415.30164	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32397	0.7
59.01382	49.0
69.03461	1.0
71.01376	25.4
73.02942	4.2
81.03442	1.0
83.01392	1.5
85.02946	8.3
86.32628	0.9
87.00863	5.3
87.75905	1.1
89.02438	41.1
91.03950	1.0
97.02934	5.2
99.00879	1.1
101.02444	31.2
113.02428	12.9
119.03485	7.1
125.02474	7.0
143.03500	3.6
161.04524	4.4
179.05618	6.1
194.89000	1.0
221.06667	6.0
235.08174	1.7
253.09369	2.3
253.99942	1.2
255.16188	1.3
415.14600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01873	0.7
54.45330	0.8
59.01381	12.5
71.01369	10.6
71.48632	0.8
73.02950	1.2
79.25206	0.9
85.02966	1.4
87.80265	1.0
89.02444	10.5
90.67567	0.8
101.02441	5.3
108.11648	0.9
113.02444	2.3
119.03511	3.1
126.09447	0.9
140.67303	1.0
146.03735	57.0
146.66656	1.1
161.06070	25.2
164.04807	43.1
179.07144	100.0
207.10080	1.2
255.48343	0.9
279.11090	3.1
303.67288	0.9
395.41721	1.1
415.16412	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03460	2.3
59.01379	51.8
69.56393	1.8
71.01376	55.6
72.40807	2.0
73.02937	28.4
78.95898	7.8
83.01386	16.4
84.05708	1.7
85.02943	35.5
85.84458	2.1
89.02451	8.6
89.95189	2.0
95.01370	11.7
99.00866	9.5
101.02428	75.7
103.04045	2.2
113.02455	32.4
115.58607	1.9
125.02471	4.3
143.08191	1.9
145.05087	2.3
159.02953	3.0
161.04546	22.5
162.09746	2.3
163.49046	2.1
251.09180	2.4
259.02197	2.4
269.10349	74.6
293.18350	2.3
388.86676	2.5
415.06894	6.5
415.11035	3.5
415.16168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1617
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
59.01103	3.0
59.01383	60.1
69.30091	1.7
69.95284	1.5
71.01380	37.9
71.01739	3.2
73.02944	18.5
76.20571	1.8
84.99049	1.6
85.02957	12.4
87.00851	2.0
89.02437	74.0
95.01402	3.1
99.00877	100.0
99.78781	2.2
101.02444	25.6
113.02450	46.0
119.03471	10.2
131.03484	11.2
143.92802	1.7
149.04567	30.8
161.04590	13.7
170.78763	1.9
191.05621	31.9
233.06714	8.6
290.15988	1.9
293.09070	2.0
415.16156	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
52.35979	0.6
57.03445	0.8
58.00604	0.7
59.01384	78.8
60.48964	0.7
61.38470	0.7
63.74204	0.7
71.01381	62.8
73.02943	12.5
83.01392	2.1
85.02945	12.3
87.00905	1.4
89.02439	100.0
95.01386	1.6
99.00874	1.0
101.02438	35.2
103.45506	0.9
103.77928	0.8
113.02449	18.1
119.03479	13.1
125.02422	1.3
131.03508	25.5
143.03505	1.7
149.04552	44.7
158.41179	1.1
161.04488	1.7
178.87286	0.9
179.05624	9.2
179.13474	1.1
191.05632	9.4
216.66829	0.9
229.25337	1.0
311.09799	1.0
415.16193	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.5
60.52943	1.2
64.94495	1.3
71.01373	20.2
73.02937	2.6
82.93202	1.3
83.01410	1.3
85.03001	1.9
89.02439	31.5
92.22946	1.7
95.99059	1.6
97.02953	1.2
101.02438	16.0
113.02409	2.2
115.28996	1.4
116.92828	1.4
119.19201	1.4
122.03738	3.2
123.04514	43.4
131.03500	12.4
149.04567	18.0
153.05569	100.0
161.82030	1.3
165.05609	1.2
178.02693	5.9
191.05647	7.1
193.05029	11.1
222.17664	1.3
224.87610	1.3
273.72495	1.4
274.57098	1.6
283.11981	2.2
297.09882	1.7
300.24829	1.7
313.48312	1.7
315.10941	2.8
357.11771	4.6
415.16125	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77169	1.4
52.81461	1.2
52.82698	1.4
54.28413	1.3
54.69654	1.1
55.40061	1.2
57.03446	13.4
59.01382	100.0
71.01376	3.1
89.02457	2.2
101.02416	2.6
113.02463	3.2
122.08407	1.5
154.35744	1.5
161.04591	3.6
167.24541	1.6
178.06334	6.0
193.08701	35.8
195.03058	3.7
253.67517	1.7
255.05055	2.8
415.12326	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91745	20.4
59.01372	87.3
62.26795	18.9
63.74387	19.7
72.99459	19.0
83.05367	21.0
104.68446	23.5
115.30516	19.0
125.09715	84.5
171.10301	48.8
241.30563	27.8
258.61197	25.6
292.22824	100.0
313.52527	23.6
319.05795	23.9
329.23520	30.8
331.51807	24.8
374.80020	24.9
388.50128	23.0
415.23242	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.7
66.33208	1.4
71.01376	46.9
73.02948	19.6
83.01379	9.6
85.02945	24.0
88.83872	1.5
89.02446	14.5
95.01389	3.8
96.81614	1.6
99.00879	3.3
101.02432	47.1
111.00864	1.6
113.02457	23.5
119.03495	2.7
125.09702	8.4
128.57274	1.6
136.58945	1.4
159.02989	3.2
161.04527	18.0
186.11362	19.3
193.75078	2.0
353.19739	42.8
371.20731	17.9
385.18729	5.6
415.19772	100.0
415.24246	4.3
418.91885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.6
59.01382	78.7
71.01380	77.2
73.02954	22.2
83.01376	12.3
83.05034	2.4
85.02944	37.1
86.60855	2.4
89.02440	22.9
91.27238	2.4
95.01378	2.7
99.00890	9.5
101.02439	67.5
102.53041	2.2
113.02433	34.6
119.03489	9.4
120.60165	2.5
125.09747	3.4
143.03508	2.7
161.04546	22.1
177.99814	2.5
186.11327	15.5
353.19724	54.4
371.20728	20.9
385.18649	9.7
415.19797	100.0
415.24918	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58599	1.0
50.62909	1.0
56.81809	1.0
63.11317	1.1
74.02461	21.2
74.75819	1.2
82.02970	1.6
83.17226	1.2
112.28819	1.2
116.07140	1.7
122.09751	1.8
127.05098	5.1
128.03511	9.4
129.10324	25.3
130.08704	6.5
139.08769	2.7
141.06667	6.2
149.77016	1.1
155.08205	1.9
157.69072	1.4
160.31477	1.2
166.08736	33.4
166.23128	1.2
168.34830	1.1
169.09811	1.3
173.09280	9.6
179.11913	9.5
180.10176	1.4
182.37238	1.3
183.11449	2.6
185.05592	1.5
197.13016	2.0
209.09302	3.1
214.15672	2.2
222.12512	2.3
240.13542	15.0
284.12506	2.6
304.97852	1.4
306.03635	1.4
307.21289	1.6
328.00293	1.5
340.19046	2.1
397.21069	10.9
415.22003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58599	1.0
50.62909	1.0
56.81809	1.0
63.11317	1.1
74.02461	21.2
74.75819	1.2
82.02970	1.6
83.17226	1.2
112.28819	1.2
116.07140	1.7
122.09751	1.8
127.05098	5.1
128.03511	9.4
129.10324	25.3
130.08704	6.5
139.08769	2.7
141.06667	6.2
149.77016	1.1
155.08205	1.9
157.69072	1.4
160.31477	1.2
166.08736	33.4
166.23128	1.2
168.34830	1.1
169.09811	1.3
173.09280	9.6
179.11913	9.5
180.10176	1.4
182.37238	1.3
183.11449	2.6
185.05592	1.5
197.13016	2.0
209.09302	3.1
214.15672	2.2
222.12512	2.3
240.13542	15.0
284.12506	2.6
304.97852	1.4
306.03635	1.4
307.21289	1.6
328.00293	1.5
340.19046	2.1
397.21069	10.9
415.22003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76455	0.4
53.07708	0.4
62.57101	0.4
66.79575	0.4
78.95914	1.1
79.25393	0.5
114.11589	0.5
117.29116	0.5
152.99574	16.2
160.07365	0.6
261.22397	0.6
272.23907	0.6
279.23309	100.0
415.22583	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26898	0.4
78.95901	1.1
106.67963	0.5
141.60370	0.5
152.99593	15.0
192.44180	0.5
225.97795	0.5
270.85767	0.5
277.72327	0.5
279.23312	100.0
361.95050	0.6
415.22614	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30550	0.4
71.94970	0.4
76.18420	0.4
78.95918	0.9
96.96014	0.9
133.81519	0.5
141.07803	0.5
152.99579	17.7
261.22272	0.6
279.23309	100.0
334.32269	0.5
334.69833	0.6
395.39059	0.5
415.22549	30.1
415.30844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96857	0.5
78.95926	0.7
81.61133	0.6
81.95190	0.5
89.38693	0.4
91.63914	0.6
96.96980	0.5
124.56314	0.5
152.99579	17.0
153.01451	0.6
154.87851	0.4
164.35074	0.5
279.23315	100.0
415.22574	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78189	0.5
51.97213	0.5
59.01394	0.5
60.10280	0.5
61.41204	0.5
62.28688	0.5
78.95901	0.7
79.29507	0.6
85.34143	0.6
93.48776	0.6
110.02481	0.6
115.77988	0.5
116.60793	0.6
149.40253	0.7
152.99573	15.5
180.76019	0.6
228.56902	0.6
271.82043	0.6
279.23312	100.0
352.69702	0.6
356.96252	0.6
415.22620	32.8
433.46976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12024	0.3
52.83047	0.4
78.46851	0.4
78.95895	2.4
80.31846	0.4
84.25177	0.4
96.97000	0.4
143.85919	0.4
152.99585	17.5
217.81329	0.5
248.64583	0.5
279.23309	100.0
415.22592	32.7
415.28320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36061	0.4
60.56834	0.5
70.05913	0.6
78.95914	1.3
108.54359	0.6
152.99590	18.0
223.35805	0.7
279.23312	100.0
362.97366	0.7
415.22638	31.7
415.28162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
74.99097	2.4
77.00665	54.4
97.23416	1.1
103.28714	1.0
108.27013	1.0
121.05701	1.1
163.05417	1.0
181.91132	1.0
217.25974	1.1
337.21783	100.0
415.14685	1.9
415.23145	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43319	0.8
51.97207	0.8
59.01384	100.0
69.30415	1.0
71.01369	8.2
72.75436	0.9
72.99316	1.3
73.02949	11.9
75.73176	0.9
78.39526	1.0
79.59783	1.0
83.01396	2.1
85.85626	1.0
89.02457	5.4
101.02443	8.6
113.02454	5.5
117.29255	1.0
119.60126	1.0
123.13847	1.0
125.02541	1.1
247.09445	1.0
267.12558	1.1
415.19409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.9
63.38471	3.9
71.01358	6.7
73.02937	4.6
75.77366	4.3
77.00665	26.9
85.02938	4.4
89.02426	20.8
101.02418	9.0
113.02407	4.9
121.06564	33.5
125.02422	4.7
135.29543	4.6
152.99655	4.4
158.01027	5.0
165.05563	34.1
165.93701	5.0
179.03473	5.7
233.11818	100.0
251.41071	4.6
279.23264	8.4
299.27362	10.3
327.26929	17.4
337.21835	55.7
355.88550	4.5
371.25964	73.1
415.14777	39.7
415.23260	21.8
421.65189	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61355	10.7
52.65052	11.9
58.02781	10.7
59.01365	19.8
69.82490	13.6
75.37978	11.8
77.44106	13.4
77.83878	11.6
83.55568	13.0
94.81606	12.5
115.07610	100.0
122.94067	12.7
123.04396	14.8
197.14639	13.6
267.81479	12.9
415.21759	26.2
415.27304	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55748	19.3
59.01345	20.2
59.94700	17.5
61.89063	18.4
61.98824	85.2
77.96012	17.6
87.36917	20.5
132.23499	24.3
136.67137	21.5
162.23705	21.3
176.37471	23.0
178.73769	20.0
246.37651	20.4
251.84288	20.0
415.27124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41413	0.4
53.32680	0.3
59.01371	0.4
74.41668	0.3
129.31264	0.4
133.45186	0.4
138.52884	0.4
201.43121	0.4
279.23322	100.0
297.20422	0.6
415.28561	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.57729	0.7
72.19637	0.7
84.55180	0.7
84.82213	0.6
125.64017	0.7
201.45526	0.9
201.71478	0.9
245.64552	0.7
277.01300	0.9
277.04785	0.7
278.94449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.85814	0.8
62.38587	0.8
63.75362	0.8
69.43374	0.8
69.52395	0.9
161.69432	0.9
176.33467	1.0
202.47604	1.0
221.92265	1.1
249.79739	1.0
255.23309	1.7
330.76157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32911	0.9
52.33287	1.0
58.35558	1.0
59.01380	100.0
65.68666	1.3
70.04106	1.2
80.41662	1.0
255.23383	2.9
421.20560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3072
Annotation	oscr#30
Peak:m/z	Relative Intensity
50.27835	0.5
57.27777	0.6
59.01378	0.9
69.34127	0.6
81.88056	0.7
91.44872	0.6
164.95741	0.6
165.05461	0.7
208.53374	0.7
225.60091	0.6
233.11848	0.9
242.20618	0.7
279.26959	100.0
297.28015	1.6
323.25967	51.7
341.27011	60.2
406.69879	0.7
415.30704	71.0
418.62628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24806	0.6
59.01385	1.0
60.02896	0.5
62.09525	0.5
66.82943	0.7
68.52387	0.6
80.56608	0.6
91.03989	0.9
102.36026	0.6
108.09496	0.5
120.98939	0.7
242.01059	0.6
245.51315	0.6
253.21623	0.8
279.26944	100.0
297.27979	2.9
323.25961	47.1
341.27002	57.1
357.55099	0.7
415.30725	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3222
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
63.18469	0.4
71.07648	0.4
75.76910	0.4
81.75220	0.4
105.68297	0.5
117.03461	5.3
118.04244	2.4
119.05016	6.6
121.02956	4.0
123.04457	0.8
132.37268	0.4
133.02975	0.6
133.58044	0.4
145.02951	27.7
162.03253	2.1
163.04021	6.5
177.51152	0.6
187.23282	0.6
295.70880	0.5
305.32001	0.4
415.32227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3224
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
51.88059	0.2
59.01366	0.3
83.05034	0.4
89.64928	0.3
92.04620	0.2
95.66828	0.2
227.43449	0.2
277.31995	0.2
279.23331	0.4
293.29678	0.3
415.32245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01521	2.0
59.01381	8.5
63.74932	2.5
79.95313	4.3
79.95734	49.7
84.75902	2.1
91.69955	2.1
93.21656	2.3
96.96004	67.2
104.21606	1.9
110.28873	2.2
159.04471	11.1
159.24474	2.6
167.66197	2.4
244.01512	2.4
262.08707	11.6
276.06650	4.1
277.07440	14.9
278.08249	16.7
278.11292	2.3
291.05457	4.2
304.06323	2.9
305.06970	100.0
306.07773	88.0
416.04544	69.2
416.09412	2.8
421.13577	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99172	1.0
52.62236	1.0
59.01374	2.4
61.98826	7.3
64.46515	1.4
71.01389	1.4
76.88206	1.3
81.03448	1.5
82.66563	1.2
85.02962	2.1
89.02455	1.6
92.80437	1.1
99.00880	1.2
102.05607	26.9
107.17090	1.2
111.04507	23.2
113.02463	1.5
113.84836	1.4
122.63796	1.6
127.04010	49.4
137.02480	3.2
155.03517	30.5
169.05064	2.1
174.07674	2.2
178.76653	1.5
191.05623	100.0
199.02480	34.8
199.04166	1.9
206.75896	1.3
216.05138	16.0
353.08875	26.8
416.08066	1.6
416.16226	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83985	1.3
58.56159	1.6
59.01389	3.9
59.48175	1.5
65.03245	1.6
65.85624	1.6
75.00772	1.6
81.03453	3.2
83.05039	4.0
85.75868	1.5
89.30046	1.7
90.70592	1.5
93.03436	3.0
108.41248	1.7
111.04513	46.9
127.04012	100.0
137.02431	7.9
153.53885	1.6
155.03517	68.4
155.04805	2.4
169.05124	2.4
199.02492	66.3
216.05141	31.7
238.74893	2.0
265.24533	1.9
369.08359	2.2
407.19421	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44411	1.5
61.98828	1.6
72.84961	2.2
101.26646	1.8
111.00856	2.6
119.98408	2.1
139.00342	8.7
145.12134	2.2
153.01929	10.4
154.02713	12.2
166.99849	20.9
169.05084	16.7
179.30971	2.1
181.01384	4.3
182.02240	12.5
197.04478	2.7
216.55400	2.0
312.04709	2.8
319.96942	2.3
323.02005	35.0
330.06226	4.7
338.04337	11.2
353.07001	2.8
358.05688	42.7
358.09705	3.2
373.08215	4.8
386.05176	61.0
388.10361	13.8
398.08856	15.4
401.07761	6.9
401.97940	2.1
416.09894	100.0
416.23291	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28782	0.3
58.16758	0.3
78.95911	0.4
88.35863	0.4
90.98598	6.2
96.95995	2.4
134.03664	0.4
154.35144	0.3
162.05608	0.6
193.02032	24.0
194.02795	0.7
208.04395	100.0
238.15654	0.7
308.09341	0.5
342.08133	1.7
356.09616	0.7
357.10663	0.6
358.11096	0.7
372.12802	31.4
372.17264	1.1
416.11777	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1649
Annotation	ZSTK474
Peak:m/z	Relative Intensity
55.53477	1.3
59.01381	64.3
60.01707	6.8
64.59856	1.5
65.92933	1.2
68.81263	1.3
68.97259	1.3
71.01377	39.6
72.01704	5.8
73.02953	16.1
74.03274	2.2
77.32878	1.3
85.02961	10.4
86.30695	1.7
89.02441	59.3
90.02763	9.7
92.22524	1.8
99.00877	91.1
100.01214	29.5
101.02449	23.1
102.02805	3.8
113.02446	31.8
114.02768	12.6
119.03480	10.0
126.88082	1.4
127.42620	1.3
131.03491	13.6
132.03793	2.0
149.04559	25.9
150.04907	10.9
161.04572	10.9
162.04860	3.7
164.29240	1.4
172.34770	1.5
183.62885	1.7
191.05621	22.9
192.05989	11.6
215.88400	1.7
233.06659	6.5
234.07034	6.6
273.93567	1.6
294.09430	1.9
358.43176	1.9
416.12204	4.6
416.16504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
58.00589	1.3
59.01377	3.3
61.52469	0.8
65.21661	0.7
66.84486	0.7
70.06618	8.7
70.67558	1.1
71.01366	1.0
73.02943	15.4
73.05380	0.6
82.06623	7.3
84.76598	0.8
85.02962	0.9
98.02480	1.5
98.06070	0.8
101.46415	0.7
101.67229	0.7
102.05542	1.1
118.05107	12.3
144.06630	1.1
162.07707	3.8
196.30424	0.7
223.20741	7.8
235.20685	1.1
248.96837	0.8
253.21747	11.0
255.37718	0.8
259.93845	0.8
288.26981	1.4
341.78308	0.8
380.28448	0.8
398.29251	5.5
416.30225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3174
Annotation	CB-86
Peak:m/z	Relative Intensity
52.94378	0.7
53.67751	0.7
53.80486	0.7
69.34652	0.8
91.48726	0.9
98.64919	0.9
112.95481	0.9
121.22005	1.0
128.10789	7.9
130.08733	100.0
140.10785	1.5
153.51331	0.9
353.76410	1.2
358.69818	1.0
416.31766	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58062	6.0
59.01385	100.0
60.72775	5.7
63.82150	5.7
63.94810	5.6
66.20896	5.6
66.33527	5.6
72.99273	9.2
78.95895	11.9
92.23043	6.2
96.96954	30.2
99.29809	5.9
103.00406	51.2
120.99642	13.0
123.04533	7.2
129.71648	6.4
133.05069	50.5
146.31378	6.1
148.07651	5.7
172.43695	6.8
175.06155	12.0
219.03130	19.0
219.05118	10.4
235.32184	6.7
315.48376	7.0
330.99603	6.4
417.10339	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73953	1.5
59.01391	2.1
65.43060	1.6
68.96274	1.5
73.02937	14.5
75.00874	1.6
83.05035	2.6
89.02467	2.1
93.03438	41.8
93.87058	1.6
99.00885	2.9
99.04514	3.6
104.56686	1.8
110.02467	23.3
111.04530	26.4
125.19452	2.0
129.31120	1.7
137.02415	19.9
143.03467	3.6
152.03529	2.2
152.85478	2.1
155.03487	16.8
173.04536	100.0
185.22171	1.8
189.13123	1.8
200.05641	10.9
243.06252	52.5
417.11188	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1198
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.37575	0.7
53.97227	0.7
55.53451	0.7
56.01844	0.6
59.01383	10.4
59.59201	0.8
59.82249	0.7
66.42195	0.6
66.70473	0.8
71.01374	4.6
77.64368	0.8
85.02971	1.1
89.02441	1.8
91.01867	1.1
96.99323	6.7
97.91318	0.9
101.02400	1.5
113.02414	1.6
121.02950	9.1
123.04522	5.7
129.86497	0.8
134.03754	10.8
139.03993	1.1
145.02951	0.9
146.03766	4.5
147.04541	1.9
149.02452	4.0
149.06042	3.3
153.05576	4.9
158.03738	5.4
159.04568	6.0
161.02444	1.0
161.06084	4.2
162.03287	1.1
163.03989	4.4
164.04724	7.2
173.06020	1.1
176.04759	1.2
178.02763	1.3
188.04811	1.7
189.05484	6.2
191.07169	1.5
193.05025	7.3
205.05246	1.0
223.06163	1.9
235.84689	0.8
235.99576	1.1
253.19719	0.9
282.05331	1.6
295.09720	1.0
296.06897	1.8
297.07822	4.5
299.09332	4.5
310.05023	3.3
311.09344	10.5
312.10089	3.2
313.10846	1.3
314.11588	1.7
319.13681	1.0
325.07257	14.3
340.09561	7.1
355.11880	3.5
357.15698	1.7
369.06268	3.7
384.08823	1.3
399.10751	1.7
417.11975	100.0
417.21317	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.135
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
54.04626	0.3
54.60297	0.3
62.46793	0.3
147.08125	0.9
151.16231	0.4
173.06042	0.8
191.07158	0.9
199.07661	2.0
210.09972	0.4
217.05061	2.4
225.05486	0.9
267.06506	0.5
281.08167	0.4
293.08478	0.5
319.06183	0.9
333.07864	0.7
334.08539	3.4
343.09692	0.8
347.09271	2.0
347.12997	0.9
349.14539	2.5
357.11423	0.6
358.12094	0.6
361.06964	1.7
362.08038	2.2
373.14615	5.5
387.08896	0.8
399.12390	0.8
401.10309	2.0
402.11005	2.5
417.13495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56371	1.4
51.88510	1.4
54.12490	1.4
57.39669	1.2
59.01379	44.0
68.33989	1.4
70.12489	1.6
71.01379	31.2
71.17021	1.5
72.99318	2.3
73.02945	12.4
73.03302	1.4
78.49493	1.5
81.66460	1.6
83.14288	1.5
85.02951	4.1
89.02435	99.8
95.01380	2.6
97.66967	1.8
99.00875	100.0
101.02437	14.7
101.55273	1.9
113.02435	38.0
124.00365	2.9
130.47874	1.8
131.03513	19.6
133.91545	1.6
135.04539	1.7
149.04533	50.8
149.05641	2.4
161.04594	7.1
179.03481	2.7
191.05585	27.3
197.04489	2.4
205.01180	6.9
219.02756	15.2
233.06708	25.4
252.35912	1.8
293.08746	35.8
311.09875	20.6
417.08063	16.0
417.14099	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72484	1.0
53.26070	0.8
59.01385	100.0
61.32819	0.9
71.01385	1.7
78.23914	1.1
89.02427	1.5
97.02981	1.3
101.02470	1.4
113.02448	2.4
115.04020	1.2
153.05606	1.5
176.07112	1.0
196.70596	1.0
263.91376	1.2
309.09058	1.3
343.20804	1.1
348.55118	1.2
377.75565	1.3
417.17432	1.6
421.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1557
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
51.43137	1.0
56.49564	1.0
59.01386	15.5
62.96605	0.9
63.24377	1.0
71.01385	1.8
74.84999	1.1
86.55810	1.2
89.02442	2.7
96.96005	1.5
100.30688	1.1
101.62395	1.1
103.85353	1.1
107.05002	1.5
111.00868	12.1
115.31679	1.1
137.02419	18.7
151.00359	13.0
152.04814	6.4
166.02707	99.9
167.03526	5.1
176.58638	1.2
177.01985	5.5
181.05066	100.0
190.06454	1.9
190.70834	1.6
191.03522	1.6
195.02988	2.5
205.05092	1.8
209.04707	1.6
255.10283	5.1
301.07190	1.5
351.96298	1.4
359.11459	6.4
387.10782	44.2
387.15277	1.8
402.13330	9.5
417.15680	93.8
417.21115	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.156
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.92891	1.4
58.24349	1.5
59.01383	65.2
75.00866	1.9
75.13953	1.6
81.22844	1.7
87.01387	2.1
92.23125	2.1
107.11170	1.7
137.02496	15.6
137.34320	1.7
150.03157	2.1
151.00371	13.4
152.04802	9.3
154.35736	1.9
155.64160	2.0
165.05624	1.8
166.02705	84.3
167.03531	2.6
181.05074	100.0
181.06636	4.0
191.03407	1.8
205.05153	3.1
209.04712	3.8
239.05733	2.1
243.39754	1.7
278.30692	2.2
342.99039	2.0
357.09979	2.8
357.19247	3.8
387.10828	36.8
387.14575	2.3
402.13162	4.4
417.10733	3.9
417.15765	81.2
417.21237	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.156
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.62005	0.7
57.92149	0.8
59.01377	3.7
61.98825	1.1
75.00867	1.7
79.26382	1.0
80.09224	0.9
82.50873	0.9
82.80622	0.9
85.34491	1.0
109.02930	1.6
118.58692	1.0
137.02434	13.5
151.00375	10.8
151.04028	1.5
152.04796	6.9
166.02715	91.9
167.03456	4.9
177.01965	5.6
181.05074	100.0
191.03500	1.1
192.04350	1.1
193.05087	1.5
248.98695	0.9
329.10233	1.5
349.62265	1.2
352.57971	1.2
357.10025	1.3
359.11417	5.7
387.10904	39.8
387.15970	1.3
402.13297	9.7
417.15625	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80750	0.7
59.01377	4.9
64.74400	0.7
89.68243	0.7
96.96052	0.9
99.95459	0.7
116.35756	0.8
138.03249	1.1
139.03984	3.8
151.04007	0.8
153.01961	1.1
166.02666	1.9
175.03963	1.0
176.04768	3.3
177.05605	1.9
178.02644	1.0
181.05060	3.3
190.02690	1.8
191.03525	7.3
191.07251	1.1
193.05171	1.1
203.03491	4.2
205.05086	9.8
206.05721	1.1
207.06609	1.9
208.03888	1.3
218.05862	4.5
219.06631	6.5
220.03737	7.8
221.04553	26.2
223.05962	1.5
233.08121	1.5
235.06123	100.0
236.06892	3.4
249.07663	9.1
288.72781	0.8
316.75983	0.9
329.10260	1.4
357.09671	1.8
371.11490	0.9
372.12149	3.2
387.10428	1.0
387.14737	4.0
402.13150	3.9
417.15628	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.77887	1.4
71.01373	36.8
85.02951	9.6
87.98083	1.6
89.02433	54.1
95.01361	1.9
101.02437	30.2
113.02414	16.4
119.03524	17.3
126.84188	1.9
165.66522	1.8
179.03447	2.0
179.05586	9.3
194.09570	2.1
222.08891	3.0
237.11259	8.2
298.76898	1.9
417.17767	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.52192	0.9
65.14206	0.9
71.01379	24.0
73.02941	4.6
83.01382	1.8
85.02946	8.0
89.02436	31.0
89.78162	1.2
101.02434	20.7
104.78539	1.1
113.02431	16.2
119.03484	11.3
143.03488	3.9
145.62119	1.0
161.04555	19.5
174.66751	1.2
177.09171	9.5
179.05661	5.7
195.10294	1.3
201.44354	1.1
235.37025	1.1
287.52701	1.4
357.15616	74.8
417.17783	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.40038	1.0
71.01383	8.2
73.02977	1.6
74.36362	1.0
80.00109	0.9
83.05019	1.5
85.02940	1.7
89.02429	4.5
96.28638	0.9
101.02443	7.2
108.59134	0.9
113.02428	3.7
119.03484	1.6
149.84683	1.1
171.10301	2.5
201.11333	1.6
204.18573	1.3
237.15355	1.4
255.16144	1.3
295.74353	1.0
318.90109	1.1
331.17517	1.4
343.21057	2.0
373.18777	6.7
417.21051	8.6
417.25998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
59.01384	100.0
71.01373	43.2
73.02956	11.2
79.11987	1.3
83.01380	6.5
84.22377	1.2
85.02956	15.4
89.02443	14.6
95.01350	3.1
97.31411	1.3
99.00864	3.2
101.02451	31.6
105.02428	1.4
113.02449	21.9
119.03457	1.9
139.07649	26.1
152.78236	1.6
159.02960	2.2
161.04568	32.9
195.10304	2.7
228.01358	1.5
232.43527	1.4
255.12250	1.4
295.37781	1.5
357.11179	2.9
357.15598	69.4
381.17599	2.6
383.15561	1.7
401.72055	1.5
417.17517	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82181	1.7
54.77098	1.6
59.01385	14.7
61.98832	4.4
70.40202	2.2
70.93533	1.9
71.01385	4.7
85.02916	2.2
89.02433	2.2
101.02435	4.5
105.01937	11.5
114.25582	2.2
150.74617	2.5
255.19658	29.4
273.84589	2.0
352.70731	2.2
361.39240	2.2
417.20233	4.0
417.24991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2052
Annotation	Isovouacapenol D
Peak:m/z	Relative Intensity
51.48383	7.6
59.01384	100.0
61.98798	9.2
64.03484	11.0
65.58869	10.0
71.01402	10.2
75.46046	9.2
78.95905	11.1
99.80297	9.5
105.01978	16.1
149.08725	10.9
155.74542	11.6
175.54005	11.9
183.23715	11.7
255.19640	11.2
417.20050	41.4
417.24792	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80239	1.7
59.01380	8.8
65.45229	1.9
88.85339	2.1
90.12640	2.0
91.68633	2.1
97.06609	2.4
100.89758	2.2
108.62034	2.2
122.31418	2.6
125.09710	84.5
169.08736	4.3
171.10326	8.5
171.46841	2.3
176.95288	2.8
182.04259	2.4
187.09769	100.0
209.33266	2.5
261.13431	63.7
358.34421	2.6
373.10831	31.4
417.24939	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12315	7.7
59.01378	100.0
61.98830	22.5
89.25896	11.3
114.76596	10.7
140.61421	12.2
201.11349	12.6
207.23866	10.5
219.45326	11.4
239.35054	10.4
248.26509	10.6
306.97769	11.3
367.08261	14.8
394.63803	10.2
417.20410	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49918	0.6
59.01382	100.0
62.55177	0.6
66.65169	0.7
97.96810	0.7
124.15607	0.8
128.87038	0.7
202.76669	0.9
254.24663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85953	0.7
59.01381	100.0
59.32290	0.8
59.87364	0.8
68.63699	0.8
71.01375	5.1
73.02933	1.0
75.00848	1.3
78.30008	0.8
79.31445	0.8
79.53944	1.0
80.46996	0.8
80.83018	0.8
83.01386	0.9
85.02941	1.9
89.02442	2.0
101.02427	1.7
113.02447	3.3
127.27641	0.8
161.04538	1.9
189.74644	0.8
192.05527	0.9
256.00076	0.9
357.19238	13.8
417.16766	1.3
417.22134	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20953	1.3
51.35512	1.2
54.95243	1.2
55.82543	1.1
59.01379	100.0
61.50452	1.2
65.58151	1.3
71.01375	13.2
72.99310	2.5
74.08225	1.2
82.20611	1.6
86.97726	1.1
89.02429	21.8
101.02415	12.4
111.48738	1.5
111.62710	1.4
112.67753	1.1
113.02433	2.7
119.03492	5.5
124.00424	1.6
162.74568	1.3
163.45758	1.3
179.03487	2.6
184.02469	1.5
197.04596	1.6
295.62683	1.3
357.19125	2.1
417.16959	9.6
417.21912	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25712	0.8
56.22764	0.9
59.01381	100.0
61.94252	0.9
71.01381	8.5
71.25111	1.0
73.02939	1.0
84.41000	1.1
85.02955	2.2
99.00869	1.4
101.02456	8.9
101.03017	1.1
107.58765	1.1
110.77805	1.1
113.02435	6.8
142.30753	1.2
149.07211	1.1
161.04553	5.5
183.41321	1.0
283.19757	1.1
357.15210	1.7
357.19263	24.6
417.11536	1.0
417.21536	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34171	0.7
52.78613	0.6
59.01383	100.0
71.01381	10.9
72.29531	0.6
85.02949	1.5
89.02447	20.8
89.02972	1.4
91.88190	0.8
92.23052	1.1
101.02444	6.1
107.05058	1.2
113.02430	7.8
119.03489	8.5
143.03508	1.6
145.93971	0.7
149.06088	10.5
161.04550	1.7
166.02716	3.8
179.05623	15.6
181.05051	3.2
223.47763	0.9
255.10352	9.4
293.61255	0.8
357.19403	1.1
362.83521	0.8
378.12653	0.8
387.10742	1.5
393.04556	0.9
403.55731	0.8
417.15884	3.4
417.21371	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01872	1.1
57.03439	0.9
59.01382	25.3
59.24802	0.2
71.01377	14.3
72.99301	0.4
73.02943	4.9
75.00860	0.4
83.01385	4.5
85.02941	7.8
86.00086	1.0
87.00863	1.1
89.02439	10.3
95.01353	1.6
99.00891	2.1
101.02436	19.0
103.71214	0.2
111.00857	0.4
113.02451	7.9
119.03497	2.9
120.56341	0.2
125.02328	0.3
131.03481	0.2
149.13341	0.3
159.03015	0.3
163.56024	0.2
175.14857	0.3
180.07796	0.3
195.10260	0.5
207.13901	0.9
208.04366	1.1
209.04584	0.9
225.14946	2.3
237.14941	0.9
255.16197	0.3
350.31134	0.2
362.23114	0.2
369.19110	0.3
373.13123	0.5
387.20242	5.1
399.20270	11.6
417.21353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2138
Annotation	Maryal
Peak:m/z	Relative Intensity
55.37921	1.8
56.26372	1.4
59.01371	9.8
61.98830	1.7
105.01921	10.6
109.64184	2.0
111.08159	52.9
125.09708	61.7
173.08177	57.2
187.09767	53.5
197.35649	1.7
247.11807	7.6
261.13385	4.3
417.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98838	2.0
67.04690	1.1
73.60410	1.1
80.18021	1.2
83.94221	1.4
101.02409	1.7
123.67501	1.4
135.04507	5.5
144.54568	1.3
150.25182	1.3
171.10333	1.5
201.11362	11.1
215.12845	3.2
236.95749	1.3
247.38864	1.2
279.23236	1.5
298.62274	1.4
417.20224	1.6
428.84399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98058	1.2
59.01382	16.7
65.05782	1.0
70.74409	1.1
80.70038	1.3
83.05014	2.2
97.06596	2.8
111.08154	62.2
125.09718	61.3
129.22301	1.5
173.08180	58.0
187.09775	49.3
247.11964	9.1
248.45770	1.3
261.13452	6.5
293.18301	1.4
363.12805	1.6
417.12155	2.8
417.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2419
Annotation	cLPA(18:1)
Peak:m/z	Relative Intensity
51.90728	0.4
53.57844	0.4
54.32935	0.3
70.34256	0.5
71.54734	0.5
78.95841	0.5
84.54488	0.5
86.83494	0.5
125.46675	0.5
128.19165	0.5
152.98473	0.7
152.99593	13.7
219.81018	0.6
220.70107	0.5
281.24890	100.0
289.56268	0.6
321.02243	0.6
352.52747	0.5
417.24323	29.3
417.30066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
72.77016	0.8
85.34738	0.6
96.20657	0.8
124.86893	0.9
131.23318	0.7
138.12033	0.7
150.90076	0.9
152.99585	17.0
191.49582	0.7
214.00465	0.8
281.24887	100.0
302.21259	0.8
305.04388	0.8
417.24338	27.0
424.27982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47015	1.2
52.47334	1.2
59.01382	3.1
75.66923	1.2
77.14928	1.2
163.04149	1.4
192.31764	1.4
277.18121	70.5
279.19641	16.8
284.04300	1.5
295.19168	100.0
363.25436	7.4
381.26535	74.5
417.22897	6.9
423.11353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25573	1.7
54.11361	1.7
54.18189	1.5
54.77289	1.6
59.01379	2.8
70.92272	1.5
104.40587	1.9
115.92059	2.1
122.11466	2.1
153.12833	3.8
165.12860	4.2
165.92833	2.0
179.10800	3.8
181.12364	29.0
197.11816	3.8
199.13420	100.0
339.04501	2.1
364.32681	2.2
381.26471	43.6
399.31027	2.4
417.13702	7.0
417.32233	18.2
431.93967	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.9
64.49048	2.4
66.87408	2.3
69.48666	2.1
72.39504	2.3
76.48212	2.1
90.15424	3.2
98.02443	4.4
144.86255	2.7
259.43408	2.4
277.18121	67.3
279.19629	28.5
281.24063	17.5
295.19153	100.0
318.86380	2.4
337.71109	2.7
363.25369	22.9
381.26520	86.9
417.30966	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12933	0.4
55.43897	0.4
78.95903	0.9
79.28519	0.5
92.75914	0.5
152.99588	15.1
164.30083	0.5
171.36633	0.6
184.10873	0.6
272.39828	0.5
281.24890	100.0
417.24182	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43784	1.4
58.47435	1.2
59.01368	6.8
71.73366	1.6
91.60478	1.4
100.01628	1.5
100.02261	1.7
156.47543	1.7
160.29321	1.6
165.98927	1.7
167.83151	1.6
179.10733	3.7
181.12346	32.5
195.10335	1.9
199.13419	100.0
199.15225	3.4
200.17001	1.8
277.21573	1.8
311.20700	1.8
320.73456	1.5
363.25644	1.9
381.26508	59.2
417.23035	7.7
417.32278	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2499
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
51.50462	0.8
53.25299	0.7
55.13918	0.7
56.81081	0.7
57.45531	0.9
59.01384	11.4
61.98830	4.5
63.82329	0.8
71.01375	7.0
73.02935	3.6
83.01372	1.4
83.69908	0.9
85.02940	5.1
89.02437	2.1
101.02453	6.3
105.01917	4.9
113.02428	3.4
199.74867	0.9
255.19699	29.3
379.62549	1.0
399.24271	2.0
417.25018	100.0
423.79327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.25
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
55.01875	2.6
57.03445	2.2
59.01101	1.6
59.01384	35.4
67.61689	0.9
71.01377	59.5
73.02950	17.4
83.01395	9.5
85.02945	30.0
87.04502	1.9
89.02444	17.2
95.01383	6.5
95.67816	1.0
97.02937	1.2
99.00874	8.6
101.01775	2.0
101.02441	44.9
113.02445	29.6
119.03490	5.1
122.09822	1.1
143.03497	1.4
159.02963	2.6
161.04547	26.4
255.19756	1.4
355.97794	1.3
417.25027	100.0
420.36334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
51.50419	0.7
54.57465	0.7
59.01381	12.7
61.98824	1.1
71.01374	8.4
73.02924	1.6
76.96368	1.0
83.01378	2.0
85.02956	4.3
87.00855	1.3
89.02480	1.0
101.02460	8.9
105.01926	6.3
107.51049	0.9
109.47996	1.1
113.02414	4.0
114.56052	0.9
158.70815	0.9
161.36028	1.0
164.91853	1.0
171.10321	1.0
237.18697	1.1
255.19662	28.0
277.71033	0.9
373.20251	1.5
399.24008	1.8
417.19952	5.4
417.24997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2499
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
57.03446	1.9
59.01381	19.1
61.98829	1.2
62.82030	0.8
69.25200	0.8
71.01376	14.6
72.99296	1.3
73.02921	7.3
79.95731	2.0
80.96516	1.9
83.01376	6.5
84.96463	1.0
85.02943	14.2
86.00107	1.5
86.44970	0.8
87.00883	0.9
89.02454	1.3
95.01389	1.1
99.00883	1.6
101.02431	20.0
105.01910	4.0
113.02451	7.2
159.02885	1.1
175.13997	0.9
176.04919	1.0
207.44882	1.1
250.79245	0.9
255.19635	1.4
259.63980	1.0
271.13657	1.0
284.65707	0.9
313.56183	1.1
317.15903	0.9
417.07855	4.9
417.19922	5.7
417.24985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26005	1.0
54.42823	0.9
57.03469	1.9
59.01385	51.3
71.01378	46.8
72.99302	1.7
73.02946	15.0
75.00870	1.8
75.50945	1.1
83.01398	5.9
85.02955	24.3
87.00877	4.6
89.02439	23.1
91.08201	1.3
95.01402	5.2
97.02969	1.2
99.00910	5.1
101.02439	39.2
106.04255	1.4
113.02451	33.7
116.07133	1.4
119.03519	8.1
136.07689	2.8
143.03519	1.4
150.71980	1.5
159.03033	1.8
161.04582	17.0
161.07245	4.8
162.08025	6.1
171.10326	2.5
172.11429	1.4
211.13509	1.5
213.09219	8.8
215.11893	76.2
259.10904	20.6
263.16629	1.4
269.09378	1.4
271.07431	2.5
281.17661	1.6
293.61780	1.3
298.22336	1.3
303.09906	36.6
303.13159	2.2
341.11551	7.2
343.21484	4.9
359.12775	2.1
385.10519	2.9
417.13062	34.2
417.25165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65681	0.9
59.01386	2.0
67.01871	1.3
71.01414	1.6
83.05034	1.9
85.02981	2.4
87.39267	1.0
95.05036	1.0
99.83062	1.0
111.04532	4.3
113.02438	2.4
139.03992	7.0
152.99588	1.3
157.05028	2.2
255.23358	8.4
269.24704	3.6
277.21759	100.0
281.24930	5.2
319.22797	1.3
371.26328	1.4
389.26929	1.9
417.25528	1.6
417.30685	1.3
438.79697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.69337	0.8
61.98829	3.1
87.76087	0.7
115.92089	1.4
152.99586	1.6
214.14455	0.8
263.20242	1.1
277.21686	3.1
307.18985	1.0
381.22900	1.6
417.23227	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.2
71.01373	16.7
73.02947	2.0
75.00867	2.1
83.04329	0.9
85.02949	3.9
89.02436	2.0
95.01393	1.5
101.02421	4.5
113.02437	7.1
220.59605	1.1
248.46509	1.2
251.23888	1.7
255.23312	100.0
269.24878	86.6
279.23355	6.8
281.24841	4.7
297.24411	14.4
309.24365	6.2
327.25409	4.1
334.04407	1.0
390.57294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65362	1.0
59.01388	16.8
64.60407	1.3
71.01378	14.8
73.02955	1.6
75.00896	1.6
80.77075	1.0
85.02930	4.1
101.02432	2.5
105.01964	1.3
113.02451	6.5
119.03453	1.4
136.31235	1.3
149.19308	1.5
156.94151	1.5
218.08263	1.2
228.74004	1.6
255.23317	100.0
267.23337	2.3
269.24890	68.3
279.23212	2.7
281.24820	13.4
297.24313	14.9
298.22852	1.4
309.24347	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3015
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
64.70394	0.3
70.49290	0.4
71.94459	0.3
133.02943	3.6
134.03749	7.3
135.04510	8.4
137.02425	2.4
139.04016	0.5
146.93959	0.3
149.88116	0.4
150.89447	0.4
153.02187	0.3
161.02451	16.8
178.02699	1.8
179.03522	8.0
180.56142	0.3
377.75912	0.4
417.30157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40686	0.4
53.00624	0.4
55.67093	0.4
59.01381	12.6
78.11375	0.5
93.53449	0.5
95.93616	0.5
100.84930	0.5
130.84993	0.6
134.76268	0.5
281.24875	100.0
411.33234	0.6
417.30109	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24815	0.4
59.01380	2.4
61.98829	0.7
80.37833	0.5
125.09715	3.8
127.11293	2.5
150.03848	0.5
155.14435	0.5
157.12347	3.5
162.22943	0.6
167.14410	0.7
171.10336	0.8
181.12323	2.2
181.15970	0.7
183.13861	1.0
185.15453	0.6
187.09793	3.7
199.13403	9.5
211.13342	1.2
218.46254	0.6
223.17076	2.4
229.14453	10.7
241.14413	0.6
241.18147	4.3
250.73589	0.5
253.18288	0.6
259.19229	3.2
261.13538	1.0
287.18698	0.9
296.87943	0.6
363.29199	2.2
381.26425	3.0
381.30511	1.0
397.29694	0.7
399.31219	9.7
415.30725	13.6
417.32275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04854	0.4
51.46397	0.4
59.01381	1.1
82.72956	0.5
87.44300	0.4
99.00881	3.9
109.47712	0.5
110.02503	0.9
140.03534	1.2
146.24944	0.5
150.07104	0.5
150.60828	0.5
259.20792	0.7
269.69980	0.6
277.21753	100.0
278.22159	0.6
322.05316	0.6
362.44238	0.6
418.26099	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2971
Annotation	8-Ethoxysachaconitine
Peak:m/z	Relative Intensity
54.00075	1.1
55.94609	1.1
61.31909	1.2
65.79385	1.3
69.86000	1.3
71.38883	1.4
73.95418	1.4
76.09311	1.3
93.03450	1.3
107.05025	10.8
107.82397	1.5
119.05028	8.2
128.53375	1.5
136.07573	1.5
163.03979	12.1
180.06673	75.8
197.94614	1.6
202.02791	1.5
234.79950	1.4
254.24893	13.1
374.30832	11.9
418.24036	3.3
418.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.62016	1.3
89.69615	1.2
92.06026	1.2
96.96004	5.7
99.73786	1.2
157.12350	9.9
198.15042	9.2
210.15042	6.3
228.16037	6.1
289.76337	1.3
294.18356	1.5
358.25314	2.5
358.29630	59.1
418.22867	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11026	2.0
58.73594	2.0
59.01381	100.0
61.98828	14.9
66.12875	2.0
67.21597	1.9
74.35509	2.3
102.78915	2.3
107.16828	2.3
109.18926	2.5
118.96838	2.9
125.09669	3.2
145.14891	2.4
157.12326	5.3
162.47459	2.5
165.86087	2.4
194.35129	2.6
198.14980	11.1
200.13701	3.6
208.65765	2.7
210.15033	4.4
228.16026	5.3
270.53790	2.9
358.29675	59.8
418.23114	9.2
418.32593	38.2
430.31915	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22287	0.8
58.48649	0.9
59.01378	100.0
60.11325	0.8
61.98828	1.8
67.73248	0.9
69.93858	0.8
74.38024	0.9
80.03786	0.9
94.43523	0.9
121.86610	1.2
124.14738	0.8
155.14360	1.3
171.13869	8.1
184.13397	8.6
196.13449	5.5
198.14975	2.3
199.12250	1.0
211.58241	0.9
214.14549	7.3
224.59784	1.1
230.83195	1.0
304.26593	1.0
358.29645	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3332
Annotation	(+)-Lepadin G
Peak:m/z	Relative Intensity
50.46991	0.6
56.02439	0.5
59.01368	0.7
127.36604	0.6
128.10835	5.1
130.08733	100.0
130.52301	0.6
136.47910	0.7
141.54625	0.7
145.52945	0.6
165.71199	0.7
181.09947	0.6
182.61990	0.6
186.01338	0.6
203.11916	0.7
222.89330	0.7
418.33319	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
66.49828	1.1
121.02912	1.6
122.03726	2.8
149.02443	22.5
150.03215	69.8
152.01158	2.6
163.04030	1.3
164.04802	34.1
165.05560	100.0
179.07132	5.9
179.67934	1.2
180.04276	9.3
193.01443	7.1
195.06653	46.8
208.03795	38.6
223.06134	76.3
371.11353	8.9
389.16125	2.5
393.05115	1.4
419.13766	6.8
441.58847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19142	0.7
58.91942	0.7
59.01376	1.0
59.39748	0.9
69.54236	0.8
71.01400	1.0
71.39500	0.8
74.38865	0.7
80.96461	0.9
85.81065	0.8
87.48422	0.9
94.44326	1.0
102.07027	0.8
108.10033	0.8
121.02972	10.0
122.03730	7.1
128.77637	0.9
133.02931	1.8
136.01654	3.8
149.02498	1.3
150.03226	100.0
151.04012	7.0
161.02477	6.3
165.04422	1.0
165.05557	41.3
176.04791	13.8
179.03441	9.3
191.07141	5.0
194.05865	32.9
209.04575	50.0
209.08183	30.3
419.13675	12.3
419.21466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1505
Annotation	Pomiferin
Peak:m/z	Relative Intensity
54.51321	0.5
85.48685	0.8
99.06697	0.7
109.02279	1.3
109.02946	21.0
110.86494	0.8
117.88248	0.6
121.02936	5.4
142.71600	0.7
147.08163	3.8
149.06139	1.1
169.85315	0.8
173.06065	3.5
177.01891	0.8
191.07179	8.8
201.09209	1.0
217.05069	4.0
227.07141	1.7
243.10483	0.8
282.09042	1.1
297.11353	100.0
309.11313	6.0
335.05704	1.4
350.08090	3.2
375.16010	0.8
419.15057	82.0
444.10349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01001	3.6
71.01371	43.2
74.33089	1.7
79.53854	1.6
85.02956	3.3
88.98813	2.6
89.02441	58.1
95.01366	2.1
101.02453	19.0
113.02467	20.7
119.03501	24.2
131.03569	2.2
161.04544	9.3
164.04820	30.6
167.03398	2.7
179.05602	27.1
179.07140	37.2
184.34450	2.1
188.35457	1.9
197.08214	9.5
359.13538	43.8
419.21368	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Lamioside
Peak:m/z	Relative Intensity
59.01379	47.5
60.16676	2.9
63.05058	2.5
63.67896	2.6
67.94179	2.8
71.01015	2.9
71.01372	25.2
74.05553	3.6
75.52885	3.3
77.88181	2.8
89.02428	35.3
101.02429	15.1
107.08649	4.5
107.12086	3.3
113.02425	13.7
119.03519	5.1
133.10234	100.0
134.53661	4.3
151.11293	6.5
177.09209	98.8
179.05568	5.4
195.10307	17.1
221.08170	22.2
223.31709	3.7
239.09224	19.5
309.63681	3.6
331.97476	3.6
361.68527	3.5
375.16791	3.6
401.14529	92.6
419.15701	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67625	1.5
59.01385	100.0
59.01685	3.6
63.95943	1.6
71.01382	16.3
74.37132	1.9
74.87405	1.7
81.03431	2.3
85.02975	4.2
89.02444	26.4
97.02938	40.5
99.04496	4.3
101.02431	15.8
108.41006	1.9
111.00903	3.5
111.34322	1.7
113.02462	8.3
115.03990	28.1
119.03482	12.0
127.03924	2.1
133.10242	4.4
163.47327	1.9
165.22641	1.9
177.09155	4.2
289.53845	2.0
321.11935	21.8
337.01105	2.3
368.37558	2.2
390.99197	2.1
401.14648	7.8
419.15594	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.5
60.16676	2.9
63.05058	2.5
63.67896	2.6
67.94179	2.8
71.01015	2.9
71.01372	25.2
74.05553	3.6
75.52885	3.3
77.88181	2.8
89.02428	35.3
101.02429	15.1
107.08649	4.5
107.12086	3.3
113.02425	13.7
119.03519	5.1
133.10234	100.0
134.53661	4.3
151.11293	6.5
177.09209	98.8
179.05568	5.4
195.10307	17.1
221.08170	22.2
223.31709	3.7
239.09224	19.5
309.63681	3.6
331.97476	3.6
361.68527	3.5
375.16791	3.6
401.14529	92.6
419.15701	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1566
Annotation	Lamioside
Peak:m/z	Relative Intensity
58.67625	1.5
59.01385	100.0
59.01685	3.6
63.95943	1.6
71.01382	16.3
74.37132	1.9
74.87405	1.7
81.03431	2.3
85.02975	4.2
89.02444	26.4
97.02938	40.5
99.04496	4.3
101.02431	15.8
108.41006	1.9
111.00903	3.5
111.34322	1.7
113.02462	8.3
115.03990	28.1
119.03482	12.0
127.03924	2.1
133.10242	4.4
163.47327	1.9
165.22641	1.9
177.09155	4.2
289.53845	2.0
321.11935	21.8
337.01105	2.3
368.37558	2.2
390.99197	2.1
401.14648	7.8
419.15594	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67625	1.5
59.01385	100.0
59.01685	3.6
63.95943	1.6
71.01382	16.3
74.37132	1.9
74.87405	1.7
81.03431	2.3
85.02975	4.2
89.02444	26.4
97.02938	40.5
99.04496	4.3
101.02431	15.8
108.41006	1.9
111.00903	3.5
111.34322	1.7
113.02462	8.3
115.03990	28.1
119.03482	12.0
127.03924	2.1
133.10242	4.4
163.47327	1.9
165.22641	1.9
177.09155	4.2
289.53845	2.0
321.11935	21.8
337.01105	2.3
368.37558	2.2
390.99197	2.1
401.14648	7.8
419.15594	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75949	1.8
55.85706	1.6
59.01386	39.0
71.01373	4.2
72.99306	2.6
73.02946	9.1
75.00872	11.9
83.01386	2.3
85.02947	2.7
86.00105	10.7
87.00869	100.0
89.02440	31.6
97.02953	4.6
99.00881	9.4
101.02461	15.4
110.57891	2.4
111.00916	3.8
111.04503	3.4
113.02425	8.4
113.06103	12.6
115.04006	43.4
127.00372	2.5
129.01968	9.6
129.27112	2.0
129.55148	1.8
130.98424	1.9
141.05591	10.0
159.03021	21.0
167.03476	17.3
171.06647	33.5
181.03677	2.3
196.06261	2.7
197.06474	3.8
235.18266	2.3
257.06644	17.8
261.09857	2.3
285.61316	1.9
359.17349	2.0
419.26947	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.49864	0.9
72.99272	0.9
89.02430	1.3
101.02429	0.9
117.05553	1.4
286.73712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19681	0.4
51.66375	0.4
51.77088	0.4
59.01379	1.3
63.73203	0.5
83.22586	0.5
87.00889	0.5
87.97098	0.7
99.93833	0.6
115.87340	0.6
116.95325	0.6
123.10482	0.6
137.02480	5.5
139.00394	0.8
147.04575	0.9
151.03990	5.7
152.04805	2.6
163.04007	4.5
163.11479	0.5
165.05632	0.6
166.06393	0.7
173.06134	0.9
174.03227	1.2
175.03979	11.1
176.04779	1.2
177.05563	2.6
180.04291	4.0
181.05115	0.7
185.84024	0.6
188.04802	3.8
189.05609	10.5
190.06378	37.6
191.03513	0.6
191.07147	15.4
193.05087	7.5
194.05946	5.2
203.07114	4.7
204.07974	1.2
205.08714	22.3
206.05743	0.6
207.06667	9.5
208.07419	31.6
208.32632	0.6
222.08960	11.5
265.35123	0.6
292.65668	0.6
329.10126	1.3
345.22366	0.6
359.11456	1.3
374.13934	1.3
389.16144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.3
62.38766	3.0
65.85165	3.3
77.19511	3.1
80.65384	2.7
81.04318	3.0
90.77477	3.0
94.43469	3.5
113.33935	3.7
141.57037	3.0
160.05319	31.3
166.02962	3.3
175.07674	40.4
177.05548	5.9
178.06390	25.4
192.07979	15.2
329.13995	100.0
387.72531	3.2
419.13547	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1718
Annotation	Tripterygiol
Peak:m/z	Relative Intensity
54.51202	1.4
58.94218	1.5
59.01378	17.9
71.01379	19.4
73.02952	2.4
79.99438	1.6
83.01389	1.9
85.02942	8.7
86.05013	1.5
89.02441	8.0
94.27541	1.7
101.02445	13.2
101.10131	1.8
102.02801	1.9
113.02444	3.1
119.03490	2.0
125.63809	2.1
137.02432	3.9
141.51291	2.2
149.02440	7.1
150.03169	2.9
151.04002	8.5
161.04561	8.0
163.04050	2.8
163.11420	3.0
164.04784	3.6
165.05598	3.3
175.03955	7.3
180.04095	2.2
188.04779	3.4
189.05615	8.5
190.06348	36.0
191.07166	20.3
193.05083	7.3
194.05836	2.4
203.07150	4.0
205.08713	26.1
207.06671	10.9
208.07442	28.9
222.08990	7.7
229.00482	2.1
243.94557	1.8
356.12805	2.2
371.14996	7.1
389.16132	100.0
413.84290	2.4
419.19321	8.2
419.25540	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46488	1.2
59.01355	1.4
59.39933	1.1
61.98829	9.2
63.70022	1.4
80.96518	72.9
87.00858	2.0
128.13028	1.4
133.76250	1.4
283.06076	3.6
294.38293	1.5
337.17639	3.2
337.21774	100.0
375.25131	1.7
419.07468	1.9
419.18942	7.0
419.24237	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	53.2
71.01381	24.1
85.02950	5.3
87.00872	1.2
89.02443	27.4
92.35766	0.8
95.01388	1.5
97.02985	1.1
101.02435	22.7
105.32105	1.0
113.02468	10.8
115.04002	4.4
119.03493	10.4
133.74373	0.9
141.09221	11.5
159.10304	3.5
213.93692	1.0
228.18028	0.9
246.91743	0.9
305.65912	1.0
312.72678	0.9
321.15588	100.0
339.34982	1.2
419.19083	9.1
419.23087	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	53.2
71.01381	24.1
85.02950	5.3
87.00872	1.2
89.02443	27.4
92.35766	0.8
95.01388	1.5
97.02985	1.1
101.02435	22.7
105.32105	1.0
113.02468	10.8
115.04002	4.4
119.03493	10.4
133.74373	0.9
141.09221	11.5
159.10304	3.5
213.93692	1.0
228.18028	0.9
246.91743	0.9
305.65912	1.0
312.72678	0.9
321.15588	100.0
339.34982	1.2
419.19083	9.1
419.23087	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39361	1.1
57.60346	1.0
59.01384	100.0
59.01688	3.2
60.27265	1.3
62.47211	1.3
63.40924	1.3
71.01374	2.7
89.02461	7.0
101.02428	2.3
104.85019	1.2
113.02422	1.6
119.03458	1.6
127.49670	1.4
153.12851	32.4
179.05614	5.6
179.10751	11.2
197.11850	47.6
203.88974	1.4
231.41194	1.3
252.05843	1.3
287.79532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47581	3.4
56.36160	3.8
60.29617	3.9
61.98856	5.1
67.97491	3.8
92.23143	8.8
100.93361	51.6
115.92072	100.0
169.88080	4.1
194.79164	5.7
219.69618	5.6
223.55159	4.4
223.60866	5.3
258.20349	5.0
419.15399	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74792	0.5
52.79835	0.5
54.34387	0.5
78.95900	42.4
96.96945	3.8
112.38238	0.6
150.97975	1.2
152.99586	100.0
156.62395	0.5
171.00623	2.9
202.96611	0.6
265.21756	2.5
307.29742	0.7
419.22034	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
78.95899	26.3
96.96931	3.7
97.75957	0.5
100.44057	0.5
115.11467	0.5
119.01599	0.5
123.42277	0.5
127.77972	0.6
143.96750	0.5
150.97984	0.7
152.99582	100.0
161.31241	0.5
171.00648	3.1
173.83072	0.5
265.21756	2.6
267.51532	0.5
267.67468	0.5
285.21841	0.5
419.21994	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20810	0.5
54.37720	0.5
58.51030	0.4
59.01371	0.5
68.31283	0.5
72.30653	0.5
78.95899	41.0
83.66141	0.5
91.61945	0.5
92.22506	1.0
96.95982	0.9
96.96954	4.7
125.45988	0.7
144.12842	0.7
150.97975	0.8
152.99583	100.0
153.19492	0.6
159.16620	0.6
160.50537	0.5
162.32506	0.5
171.00711	4.1
265.21683	3.2
279.54996	0.6
281.05478	0.7
419.22025	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81889	0.5
61.98835	0.6
71.17148	0.5
78.95900	29.4
78.96359	1.0
96.96966	5.2
145.02913	0.9
150.97997	0.8
152.99586	100.0
162.28848	0.6
163.61569	0.5
168.41408	0.5
171.00665	2.8
193.09346	0.6
199.08356	0.6
265.21826	3.3
303.19611	0.6
419.21881	27.2
419.28036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Clusiparalicoline B
Peak:m/z	Relative Intensity
51.57907	0.4
59.16432	0.4
59.94793	0.4
78.95901	41.5
81.23060	0.4
96.96950	3.6
101.45224	0.4
106.12914	0.4
133.00026	0.5
150.97990	0.7
152.99582	100.0
171.00664	2.4
240.92427	0.6
260.81949	0.5
265.21655	3.3
419.22064	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27927	0.4
54.50291	0.5
55.79926	0.5
61.68209	0.5
67.81725	0.5
71.07196	0.5
78.95901	44.4
96.96952	4.2
126.23425	0.6
141.86829	0.6
141.91096	0.6
150.98114	0.7
152.99590	100.0
171.00645	2.5
225.06760	0.7
265.21817	2.5
355.76630	0.7
411.59579	0.7
419.22128	39.2
430.57288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26606	14.5
59.01386	22.5
59.52015	14.5
61.98838	100.0
74.05849	17.1
139.91772	18.3
170.20065	17.7
212.76093	16.3
240.82272	17.1
278.83295	16.1
377.80798	17.7
419.29248	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35376	35.6
59.01381	100.0
61.40022	37.3
61.98800	45.1
78.86166	57.8
87.52755	40.8
137.22571	48.6
156.13278	44.4
195.67705	47.5
222.68007	45.2
266.44373	48.4
294.21841	51.7
317.41083	50.5
367.99506	46.0
380.05026	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	85.9
73.67490	54.5
119.97847	52.5
212.89021	45.6
229.26602	45.7
236.10413	54.2
351.60760	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.3
70.40237	3.2
71.01396	7.4
72.57896	3.6
72.86963	3.3
79.02623	4.0
89.02456	6.8
95.01457	4.0
101.02428	8.4
113.02467	4.0
145.31340	3.6
187.24857	3.5
239.20337	6.4
243.03073	18.7
257.21265	26.0
345.99146	4.0
419.07870	18.8
419.21628	17.2
419.26651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00357	0.6
68.80280	0.5
72.66525	0.6
77.33566	0.8
77.36791	0.8
78.95852	0.7
80.58014	0.7
80.94528	0.6
108.87843	0.7
148.56461	0.6
152.99582	15.6
178.44469	0.7
283.26434	100.0
308.23999	0.7
419.25739	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2576
Annotation	Isotingenone III
Peak:m/z	Relative Intensity
54.52459	0.9
55.15400	0.9
58.81447	1.0
78.95907	1.3
81.27722	1.1
85.66100	1.0
94.19240	1.0
103.21006	1.0
105.64783	1.0
109.72687	0.9
112.49978	0.9
117.10020	1.0
121.55620	1.0
135.26535	1.0
152.99625	13.8
167.15791	1.1
215.56636	1.0
227.46065	1.1
262.24344	1.2
283.26447	100.0
305.21399	1.5
311.11392	1.3
364.54062	1.2
419.25800	29.9
422.64355	1.2
441.92545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82953	0.7
56.43696	0.7
59.01382	78.0
61.98832	100.0
70.41929	0.8
75.22417	0.7
90.79446	0.7
93.85425	0.7
96.74456	1.0
102.41529	0.7
382.74265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68266	0.4
57.81056	0.5
59.01381	94.1
61.98832	100.0
62.45170	0.5
63.30520	0.4
66.06747	0.5
66.47133	0.4
120.45815	0.6
137.43648	0.5
152.99542	0.6
185.74403	0.6
199.13423	0.9
228.15381	0.6
281.24725	1.7
317.96265	0.7
419.25119	0.9
429.93457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46455	0.7
59.01381	100.0
60.20669	0.7
61.98831	75.3
63.21568	0.9
71.11840	0.7
77.21664	0.8
78.95863	0.9
87.45965	0.9
139.67287	0.9
152.99574	3.1
174.99870	0.9
240.29398	0.9
252.38504	0.9
285.02408	1.0
309.03760	0.9
334.69852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14560	0.5
56.79451	0.5
57.02502	0.5
59.01383	2.8
61.98833	100.0
69.78426	0.6
75.70299	0.6
82.99527	0.6
83.32491	0.6
90.29421	0.7
94.86877	0.6
115.08749	1.1
135.14049	0.7
159.07793	1.4
163.11243	0.9
187.36446	0.7
192.13844	0.6
339.23282	1.0
398.16650	0.9
419.19034	0.9
419.29019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99176	2.9
54.29470	2.5
59.01383	83.0
59.43315	2.9
61.98837	100.0
62.14278	2.8
78.95908	3.6
79.26470	3.4
97.56853	2.8
142.93130	3.4
152.99538	4.0
245.35008	3.5
288.09286	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55567	0.8
56.85675	0.8
58.02966	1.8
59.13556	1.1
61.69783	1.0
74.02469	43.6
98.06091	1.1
112.89790	1.0
115.08762	100.0
145.74413	1.2
159.07704	5.0
230.09547	1.0
344.25980	1.1
375.30225	4.5
419.29166	89.6
423.40005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3172
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
59.01392	2.2
59.40657	1.3
59.63126	1.3
61.05661	1.4
61.98848	1.3
62.62656	1.5
66.40238	1.5
79.07961	1.4
79.44964	1.7
82.03002	1.7
82.41723	1.5
113.09694	2.1
122.99223	1.4
141.09206	8.5
159.10260	54.2
227.42680	1.6
272.20374	1.5
276.51633	1.5
277.21741	100.0
414.42932	1.6
419.31717	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46877	0.8
66.46609	0.9
67.74062	1.0
78.57054	1.1
79.47471	0.9
85.33631	0.9
95.05051	1.1
121.02999	1.5
122.03724	2.5
136.05290	21.2
151.07637	100.0
221.97858	1.0
346.05231	1.2
350.42313	1.1
361.60657	1.1
419.35428	47.8
434.68811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3535
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
54.36475	0.3
54.84595	0.3
55.52900	0.3
59.01379	3.0
60.01714	0.5
71.41288	0.4
82.18378	0.4
95.05041	1.0
121.02963	0.6
122.03735	3.3
123.04491	0.6
135.04471	0.7
136.05293	24.2
146.22836	0.5
150.06857	1.5
151.07642	100.0
159.65665	0.4
419.35352	59.2
426.11099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3535
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.86375	1.8
51.87941	1.7
63.27841	1.7
74.02015	1.7
84.21702	1.9
85.20796	2.1
85.66035	2.0
123.04485	15.5
124.41828	2.5
136.05286	22.8
151.07635	11.8
152.40839	2.0
156.85332	2.1
167.15549	2.0
191.92175	2.0
227.45677	2.0
280.65964	2.6
385.11810	2.1
419.35376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92668	2.9
56.54857	3.2
61.04465	3.4
61.98826	7.4
66.44805	3.2
87.65281	4.1
89.02442	5.1
92.23007	7.4
96.95988	7.4
117.21668	3.6
168.05243	4.3
204.75752	3.8
205.89166	3.8
257.17969	4.4
260.07202	15.5
273.07935	5.1
275.09467	53.1
288.06680	100.0
301.07330	6.5
302.08279	18.6
303.08978	8.9
316.06183	61.2
318.11325	21.1
330.07816	18.4
331.08502	9.6
344.05649	18.6
344.09421	5.4
346.06818	5.7
346.10828	70.4
352.75269	4.3
357.06287	4.9
358.07465	9.0
359.07990	18.4
360.08826	16.3
372.08896	6.9
374.10281	69.9
376.11996	18.1
376.25952	14.3
420.24750	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29878	1.8
107.77686	2.6
109.02947	10.8
173.02438	43.5
188.04819	28.9
203.07037	16.6
260.07260	3.8
270.05725	4.6
272.07230	5.0
288.06631	9.2
289.04886	21.8
289.07773	3.5
290.08356	28.1
298.04892	3.6
299.05865	3.8
300.06589	19.7
304.07211	4.8
314.08173	3.4
316.06183	87.9
316.09729	3.6
318.07803	100.0
318.11185	4.0
319.09851	5.0
327.05307	4.8
328.06143	26.2
330.07565	3.0
330.11401	5.4
331.08560	4.5
332.09201	5.0
333.10178	25.8
342.07690	3.2
343.08530	11.5
344.09338	3.0
346.07104	46.7
346.10916	91.0
348.12326	15.5
358.10757	21.4
361.09610	22.8
376.11951	8.6
420.10971	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20601	0.7
57.13424	0.7
58.10135	0.7
59.01373	0.9
64.84307	0.7
71.01382	1.0
72.99295	0.7
73.02938	18.3
83.05016	4.5
85.02936	1.9
93.03447	37.5
93.04028	1.4
95.53694	0.7
97.04064	3.6
99.00871	7.6
99.04516	5.8
102.05623	1.5
105.99673	5.9
111.04517	23.6
122.59241	0.8
127.05094	1.0
128.03535	18.0
129.01921	3.4
130.08708	0.9
131.74376	0.9
137.02441	16.2
137.09952	0.8
143.03476	4.8
143.04631	4.8
153.06657	1.5
155.03531	11.1
173.04547	100.0
175.01848	4.9
179.04526	1.5
182.09119	0.8
191.05774	0.8
209.28395	0.9
214.19247	1.0
258.11575	0.8
258.18231	4.5
272.08759	1.9
286.04919	0.9
304.06110	23.1
322.07413	1.2
420.11148	8.7
420.23749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61640	0.5
99.00889	2.7
101.89777	0.6
110.02493	0.9
111.22256	0.6
125.24486	0.6
140.03522	0.9
143.95905	0.6
185.16206	0.5
266.59311	0.5
279.23318	100.0
284.26569	1.1
420.27313	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49878	0.6
62.18951	0.6
66.03491	11.2
73.02954	9.2
74.84628	0.6
77.90955	0.6
79.08385	0.7
79.50014	0.6
92.05005	0.7
94.02979	31.8
95.93250	0.7
96.04549	100.0
100.36797	0.6
100.68226	0.7
102.05601	6.6
104.23904	0.7
112.05334	1.2
118.99874	0.7
122.02519	1.0
140.03546	46.6
152.07222	5.8
154.05125	1.6
163.50630	0.7
166.05136	1.0
189.42581	0.8
196.06146	6.7
196.57005	0.7
253.21721	2.9
279.23300	12.3
362.27264	1.3
402.26364	1.1
420.22751	6.2
420.27667	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76184	2.3
56.37312	2.1
56.46641	2.1
58.20680	2.0
59.01384	100.0
59.60426	2.0
61.98885	2.1
73.07395	2.0
74.61050	2.5
93.61089	2.6
97.76553	2.8
110.21971	2.3
111.97359	2.7
121.40765	2.2
124.04014	9.1
137.73297	2.4
162.67978	2.8
256.23630	3.2
268.44385	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76184	2.3
56.37312	2.1
56.46641	2.1
58.20680	2.0
59.01384	100.0
59.60426	2.0
61.98885	2.1
73.07395	2.0
74.61050	2.5
93.61089	2.6
97.76553	2.8
110.21971	2.3
111.97359	2.7
121.40765	2.2
124.04014	9.1
137.73297	2.4
162.67978	2.8
256.23630	3.2
268.44385	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24121	0.9
59.01382	100.0
59.23313	1.5
67.24039	1.2
70.98919	1.1
73.72511	1.0
82.42989	1.1
130.99634	1.2
132.52374	1.5
159.28625	1.1
193.07530	1.2
193.09918	1.2
220.03120	1.1
336.67673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.076
Annotation	alpha-Maltose 1-phosphate
Peak:m/z	Relative Intensity
52.90995	0.6
54.40010	0.5
58.83513	0.5
62.01385	0.6
73.43959	0.6
78.95902	89.7
84.42655	0.6
96.96955	83.4
111.84267	0.7
138.98012	3.7
150.98007	16.3
180.99042	0.8
223.00220	6.8
231.98190	0.8
241.01213	28.1
258.61227	0.7
259.02310	3.1
268.03577	0.8
288.91431	0.7
292.48737	0.8
371.91769	0.8
378.83902	1.6
421.07578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53732	0.3
51.70631	0.3
55.68636	0.4
71.01380	0.9
78.91891	0.7
78.95898	99.9
89.02435	1.0
90.18523	0.4
96.00906	0.6
96.96049	3.8
96.96948	71.0
135.12061	0.6
138.98021	5.4
150.98012	18.2
162.97974	0.8
168.41634	0.4
173.04565	0.7
180.99055	0.5
191.05583	4.5
204.99004	0.8
223.00174	5.4
241.01205	25.4
244.92773	0.4
246.98976	0.5
259.02179	1.1
283.56973	0.5
290.67606	0.5
323.09918	3.1
358.40430	0.5
421.07541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
62.07357	0.3
63.90334	0.2
78.95900	1.3
85.02950	2.0
87.00866	0.4
92.76975	0.3
93.03459	0.5
96.96986	0.4
111.00859	0.4
127.04000	0.5
131.93756	0.3
139.07039	0.3
173.04520	0.4
191.05632	100.0
421.07578	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
66.75241	0.8
78.95905	100.0
80.47123	0.9
89.02437	1.1
94.96694	0.7
96.96954	79.8
138.98021	4.9
150.97998	18.6
204.99081	1.1
223.00177	5.7
241.01215	24.0
259.02252	1.0
323.02838	3.5
323.10013	3.0
361.05484	1.0
406.62845	0.9
421.07584	98.3
432.39526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93407	0.2
53.31211	0.2
59.01361	0.4
60.15296	0.2
60.90727	0.2
85.02946	2.2
87.00872	0.8
93.03415	1.0
102.56802	0.2
111.04514	0.4
112.54362	0.2
127.03948	1.2
135.04509	1.1
173.04535	1.7
174.04939	0.3
191.05624	100.0
222.28996	0.2
234.38773	0.3
248.71498	0.2
258.99210	0.3
324.26553	0.3
421.07712	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
74.88824	0.3
80.16308	0.3
80.58934	0.3
85.02934	1.3
89.91480	0.3
113.02444	100.0
117.03430	0.7
118.96111	0.3
119.05037	1.3
122.72863	0.3
126.83264	0.3
145.02962	9.1
163.04056	0.7
167.74118	0.3
183.64842	0.4
191.52640	0.3
199.68304	0.4
220.37611	0.3
246.31636	0.3
307.08252	2.2
421.11594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06032	2.3
58.41103	2.1
59.01102	4.3
59.01385	100.0
64.87768	2.0
66.54636	2.2
67.21429	1.9
71.01389	16.6
71.63436	1.9
73.02947	2.6
78.95890	2.7
83.05068	2.4
85.02941	9.2
89.02448	13.9
92.23048	2.7
101.02441	11.9
101.06100	3.6
111.00880	10.5
113.02456	37.5
115.03963	3.0
119.03454	8.6
161.04544	14.6
165.63454	2.2
179.05560	9.7
191.02003	3.8
199.30626	2.1
218.49240	2.4
230.98120	2.7
242.71783	2.2
263.11398	34.3
421.13068	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.96732	34.5
77.40183	34.0
79.49970	42.2
107.16531	34.3
152.99635	89.1
155.62006	38.4
164.95784	36.3
240.22772	44.8
305.66064	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01458	1.4
59.01382	18.7
71.01359	2.6
71.04570	1.4
84.01942	1.7
89.02430	7.6
103.81599	1.6
122.03742	3.5
123.04523	2.8
133.02910	2.5
149.01312	1.4
149.02434	14.7
150.01981	1.9
150.03214	84.8
151.04004	31.3
164.04807	12.1
165.05559	100.0
166.06386	14.5
179.07080	2.3
180.04295	6.8
181.05072	10.8
195.06659	22.0
224.06949	3.0
225.07707	48.1
263.11337	13.4
292.23373	1.7
299.09192	7.6
314.11865	1.8
341.10400	2.9
345.47137	2.1
373.12946	40.5
421.15054	82.8
421.20450	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.6
60.72805	2.6
63.25562	1.9
64.99259	2.1
65.65197	2.2
81.74405	2.5
99.45021	2.4
121.00781	2.2
124.05044	2.4
263.11316	3.3
263.26419	2.4
421.16409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1635
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01375	11.2
121.70101	2.6
124.73460	2.3
137.78418	2.3
263.11420	4.5
285.72543	2.7
421.16415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68307	0.6
59.01385	22.2
60.09341	0.8
65.66108	0.8
71.01376	11.2
73.02934	31.1
85.02922	2.8
85.60116	0.8
89.02443	13.9
90.09380	0.7
95.60973	0.9
101.02454	5.6
105.07150	1.1
107.05015	1.0
113.02440	4.4
119.03498	5.7
123.08149	14.0
156.76587	0.9
157.01364	0.8
167.07129	77.1
179.10826	3.2
197.11826	6.9
241.10802	23.0
347.13281	1.6
421.17206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
59.01383	100.0
65.93700	0.9
67.72186	0.9
71.01379	22.2
73.02944	11.7
83.01377	2.2
85.02943	12.3
99.00889	1.1
101.02442	23.2
101.06093	7.9
113.02435	13.1
159.03059	3.3
161.04570	15.6
182.24590	0.9
263.11371	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01382	32.2
71.62070	1.9
73.02939	4.6
78.22722	2.1
79.48087	1.9
82.46388	1.9
85.02931	10.2
95.35917	2.0
99.00837	2.1
101.02418	24.3
101.06072	9.8
113.02445	12.8
115.00357	18.1
117.55656	1.7
146.61392	1.9
156.97505	2.1
159.03053	2.5
161.04549	15.1
164.04785	2.7
205.05238	2.1
221.08014	3.8
223.06129	3.1
233.00230	2.2
263.08713	3.7
263.11380	82.1
265.07214	6.7
385.11252	4.0
410.75299	2.5
421.10107	2.2
421.16650	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65708	0.5
52.94656	0.5
55.01879	0.5
57.18977	0.4
59.01383	92.6
61.22408	0.4
62.86171	0.5
69.03128	0.4
70.77241	0.5
71.01377	23.9
72.99261	0.7
73.02940	6.7
79.85988	0.5
83.01387	2.6
85.02567	0.5
85.02962	9.0
87.00893	0.6
87.36148	0.5
89.02438	18.5
92.23117	0.7
95.01385	0.9
99.00867	1.1
101.02441	27.5
113.02441	14.5
119.03490	7.4
142.05190	0.5
143.03499	1.1
159.02939	2.1
161.04570	12.1
179.05553	0.7
263.11374	100.0
302.68753	0.6
421.16840	0.7
442.40057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53058	0.7
59.01384	100.0
71.01369	10.1
73.02932	1.4
79.17730	0.8
85.02943	3.4
89.02442	15.3
95.01425	1.0
101.02441	10.0
101.06104	0.9
113.02446	6.2
114.19072	0.8
115.03954	1.0
119.03485	5.3
131.17612	0.8
143.03546	1.3
149.72455	1.0
159.03076	1.2
160.18001	0.9
161.04576	6.8
168.36694	0.8
179.05635	12.5
263.11334	23.0
415.55872	0.9
421.16971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.59732	1.6
60.21405	1.5
64.72337	1.6
71.01379	19.7
73.02947	9.5
76.11260	1.6
78.00963	1.7
83.01394	3.0
85.02963	4.2
87.00879	3.9
88.58701	1.8
89.02439	7.6
101.02448	16.7
113.02440	8.7
161.04526	9.9
173.08208	3.9
247.93144	2.1
263.11374	72.9
318.02533	2.4
372.30887	2.1
421.16275	15.3
421.21039	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.6
59.01381	33.5
67.66441	0.7
71.01377	8.8
73.02934	3.7
83.01413	0.9
85.02935	5.0
89.02431	6.3
101.02452	7.5
113.02430	5.6
119.03533	1.5
125.02427	6.7
127.71842	0.8
137.02440	24.6
138.03253	8.8
139.04007	12.3
141.12585	0.9
151.04008	6.5
152.04759	7.6
153.05569	3.7
161.04590	4.4
163.03931	1.1
165.05554	1.6
177.05528	1.9
180.04288	4.7
181.05067	16.1
194.05925	6.2
195.06639	29.2
206.06047	1.0
207.06601	5.6
209.08208	3.5
237.07610	3.4
251.30861	0.9
253.10722	1.1
263.11374	28.4
331.12112	0.9
343.11798	1.5
361.13052	16.0
375.14633	4.4
391.14044	19.1
406.16284	10.9
421.18741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03071	0.7
50.23507	0.8
51.79980	0.8
57.03455	1.7
59.01109	1.5
59.01384	41.7
64.52555	1.1
67.14447	1.0
69.03447	2.5
71.01376	7.9
73.02935	2.4
75.00873	9.4
82.82255	1.0
85.02946	9.2
85.07193	1.1
87.00859	5.0
87.04472	1.0
89.02455	8.5
95.05032	1.0
96.96034	1.5
97.02938	2.3
99.00880	7.4
101.02438	6.3
109.39019	1.0
111.00873	4.4
113.02442	4.4
126.67918	1.0
129.01952	8.6
136.51649	0.9
139.11281	6.8
159.02997	1.9
161.04604	2.0
163.11256	1.5
177.04036	41.5
177.05594	1.3
181.12350	8.9
183.10242	12.5
191.02013	1.1
195.05086	1.3
199.13397	5.3
205.36359	1.0
225.11362	4.2
237.69238	1.0
241.14444	4.8
243.12373	13.9
263.11325	18.8
273.27350	1.0
285.13336	1.5
341.08508	1.6
403.16165	7.4
419.62933	1.2
421.17148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03071	0.7
50.23507	0.8
51.79980	0.8
57.03455	1.7
59.01109	1.5
59.01384	41.7
64.52555	1.1
67.14447	1.0
69.03447	2.5
71.01376	7.9
73.02935	2.4
75.00873	9.4
82.82255	1.0
85.02946	9.2
85.07193	1.1
87.00859	5.0
87.04472	1.0
89.02455	8.5
95.05032	1.0
96.96034	1.5
97.02938	2.3
99.00880	7.4
101.02438	6.3
109.39019	1.0
111.00873	4.4
113.02442	4.4
126.67918	1.0
129.01952	8.6
136.51649	0.9
139.11281	6.8
159.02997	1.9
161.04604	2.0
163.11256	1.5
177.04036	41.5
177.05594	1.3
181.12350	8.9
183.10242	12.5
191.02013	1.1
195.05086	1.3
199.13397	5.3
205.36359	1.0
225.11362	4.2
237.69238	1.0
241.14444	4.8
243.12373	13.9
263.11325	18.8
273.27350	1.0
285.13336	1.5
341.08508	1.6
403.16165	7.4
419.62933	1.2
421.17148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	84.4
65.41814	1.3
67.69404	1.2
69.61695	1.2
71.01012	1.8
71.01380	31.7
73.02947	30.1
75.00846	1.7
83.01360	3.1
85.02922	7.9
89.02444	70.6
95.88592	1.5
98.61018	1.6
99.00879	78.6
100.01617	1.3
101.01900	1.3
101.02447	30.7
113.02441	29.0
119.03496	18.8
125.02377	2.1
131.03453	9.7
140.09804	1.4
143.03377	2.2
149.04594	11.8
161.04514	9.2
165.71193	1.4
179.05569	1.5
191.05649	34.4
203.05605	2.6
211.41634	1.5
247.11786	2.7
289.12872	2.0
349.42310	1.5
349.72021	1.5
361.14847	2.4
379.16098	22.2
421.16946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03071	0.7
50.23507	0.8
51.79980	0.8
57.03455	1.7
59.01109	1.5
59.01384	41.7
64.52555	1.1
67.14447	1.0
69.03447	2.5
71.01376	7.9
73.02935	2.4
75.00873	9.4
82.82255	1.0
85.02946	9.2
85.07193	1.1
87.00859	5.0
87.04472	1.0
89.02455	8.5
95.05032	1.0
96.96034	1.5
97.02938	2.3
99.00880	7.4
101.02438	6.3
109.39019	1.0
111.00873	4.4
113.02442	4.4
126.67918	1.0
129.01952	8.6
136.51649	0.9
139.11281	6.8
159.02997	1.9
161.04604	2.0
163.11256	1.5
177.04036	41.5
177.05594	1.3
181.12350	8.9
183.10242	12.5
191.02013	1.1
195.05086	1.3
199.13397	5.3
205.36359	1.0
225.11362	4.2
237.69238	1.0
241.14444	4.8
243.12373	13.9
263.11325	18.8
273.27350	1.0
285.13336	1.5
341.08508	1.6
403.16165	7.4
419.62933	1.2
421.17148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.187
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
52.27366	0.7
59.01385	8.0
61.66524	1.0
73.36626	0.9
83.83070	0.9
85.26181	1.0
85.63629	0.9
89.02386	1.3
92.07861	0.9
101.02492	1.6
125.02449	5.6
137.02432	19.5
138.03215	8.9
139.04021	9.8
147.05460	1.0
151.04063	4.4
152.04794	4.9
153.05650	1.6
165.05580	0.9
175.04060	1.3
177.05571	2.1
180.04295	3.7
181.05067	16.7
189.05687	1.2
194.05820	5.6
195.06645	24.5
200.37543	1.1
207.06596	1.6
209.08217	6.1
229.38475	1.0
250.93895	1.0
263.11426	7.4
343.12015	1.9
354.04129	1.1
361.12924	12.8
375.14603	3.6
391.14084	17.8
406.16446	8.6
421.18747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1876
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
60.31482	0.6
62.12465	0.6
63.72089	0.6
67.45326	0.5
71.01357	0.6
75.45067	0.6
92.22526	0.7
109.02929	0.7
124.01664	2.6
125.02464	6.3
131.68890	0.6
137.02434	18.4
138.03250	8.5
139.04019	12.3
151.04031	7.3
152.04782	8.1
153.05566	2.6
165.05615	1.1
170.02113	0.7
176.04840	1.3
177.05559	4.3
179.07167	0.7
180.04395	4.5
180.05630	0.6
181.05069	11.1
184.59753	0.6
191.07118	1.3
194.05847	8.1
195.06645	25.2
205.08739	0.7
206.05859	0.9
207.06607	5.8
208.07541	1.0
209.08211	6.6
221.08186	0.8
237.07649	1.2
251.56245	0.7
304.19153	0.7
333.13339	0.9
343.11893	2.6
361.13055	15.2
370.84094	0.8
375.14502	3.4
391.14020	23.3
406.16382	14.1
421.18744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
64.80190	1.1
85.48102	1.3
85.74506	1.2
91.03960	1.6
92.22752	5.8
101.56451	1.5
117.96367	1.4
161.91916	1.5
165.93646	1.3
219.84285	1.3
223.62134	1.3
249.18552	5.3
256.34451	1.3
267.19656	97.8
275.16522	7.2
293.17596	52.9
311.18732	3.4
330.64151	1.5
385.22366	100.0
421.14145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03432	3.9
58.43386	1.7
59.01382	70.7
61.92653	1.6
65.79230	1.6
65.81077	1.6
66.94405	1.6
71.01027	2.6
71.01378	56.1
73.02946	26.1
73.65727	1.6
75.00862	2.6
77.54832	1.8
83.01359	9.0
85.02950	31.6
87.00819	2.4
89.02437	34.3
95.01363	2.6
96.96002	17.2
97.02921	2.9
97.33212	1.6
99.00848	10.9
101.02441	69.4
111.00881	2.0
113.02446	34.9
119.03445	7.9
125.02427	2.2
143.03455	2.5
149.04543	3.5
158.64937	1.8
159.02834	2.3
161.04521	13.4
164.94269	2.0
206.64830	2.0
263.11401	12.6
289.16623	88.4
344.87122	1.8
421.15231	16.6
421.20505	100.0
444.59906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03450	2.0
59.01384	37.5
66.36911	1.0
71.01380	53.7
73.02939	19.3
83.01402	8.7
85.02944	26.5
89.02450	9.6
95.01382	2.1
97.02950	1.3
99.00868	8.8
101.02438	55.4
111.00890	1.5
113.02432	28.3
119.03501	1.6
125.02477	1.8
159.02969	2.5
161.04530	14.7
263.11249	1.8
275.67383	1.5
289.16605	100.0
421.20767	63.6
421.26190	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.85520	0.8
53.65476	0.7
58.03665	0.8
58.07044	0.9
59.01107	1.3
59.01382	24.8
65.52283	0.9
67.55262	0.8
71.01376	19.5
73.02941	16.0
74.92459	1.0
83.01366	5.2
85.02948	14.7
89.02443	14.6
95.01372	1.4
99.00866	9.9
101.02442	41.0
113.02418	15.4
119.03432	1.7
121.29855	0.9
129.01900	1.0
140.65158	0.9
143.03410	1.2
161.04510	5.2
262.44067	1.1
289.16580	17.5
421.20779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09018	0.9
51.15315	0.9
51.46597	0.8
56.67672	0.9
59.01384	100.0
70.09101	1.1
71.01390	4.7
76.17476	1.1
91.25491	1.0
92.23111	1.3
98.39436	1.0
101.02445	2.5
113.75704	0.9
199.13463	1.2
335.44940	1.1
361.18741	60.7
421.20779	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03443	3.3
59.01099	4.5
59.01381	86.9
60.59477	2.3
61.98782	2.7
63.31825	2.6
69.03438	2.1
71.01379	89.2
71.44650	2.1
72.03712	2.5
73.02935	34.9
83.01385	20.9
85.02951	49.1
89.02448	26.2
95.01399	5.2
96.96002	17.1
99.00871	12.2
101.02431	70.9
102.69402	2.5
113.02440	46.6
153.27350	2.9
158.20766	3.0
159.02911	5.6
161.04584	32.6
206.09558	5.7
217.95912	3.1
263.11340	35.4
289.16586	100.0
295.73392	2.9
404.89417	2.7
421.15497	16.8
421.20837	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2089
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
50.96748	0.5
56.46426	0.5
57.10765	0.5
58.50579	0.4
59.01384	28.0
61.49169	0.4
64.85823	0.6
71.01380	9.8
72.99316	1.0
73.02940	3.1
75.00872	0.7
83.01394	1.4
84.96847	0.5
85.02911	4.9
87.00861	0.9
87.04514	1.1
89.02450	9.9
93.40160	0.5
99.00864	0.6
101.02450	12.0
113.02431	7.5
119.03505	2.7
148.54587	0.5
161.04572	3.7
191.05629	10.5
236.61020	0.6
241.14493	21.5
247.11902	1.3
259.15527	12.7
263.11392	14.9
363.17087	0.7
403.20230	0.7
421.20926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2261
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
55.06228	0.4
59.01377	0.5
78.95896	8.6
79.95790	0.5
80.96510	100.0
86.79544	0.4
90.05872	0.5
92.23104	0.6
96.96949	1.1
145.03607	0.5
150.98044	0.9
152.99577	33.7
171.00595	1.1
174.53926	0.6
183.31244	0.5
210.99295	0.7
421.22775	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40683	1.4
61.60269	1.4
63.62319	1.2
69.12583	1.3
83.95794	1.6
87.32763	1.3
109.11873	1.3
136.99167	7.2
141.26775	1.5
162.95476	1.4
163.11296	100.0
173.95627	1.6
195.62303	1.5
260.54260	1.7
325.45462	1.5
339.23312	90.7
382.35138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2365
Annotation	Clusiparalicoline A
Peak:m/z	Relative Intensity
53.86483	0.4
59.01387	0.4
61.98788	0.4
78.95895	43.6
89.75829	0.4
96.96973	4.9
147.00690	0.5
150.37025	0.5
150.98018	0.9
152.99579	100.0
160.96249	0.6
171.00635	2.7
267.23334	3.5
352.77130	0.5
421.23639	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61578	13.5
58.93848	12.8
59.01373	56.4
61.98829	100.0
71.01363	17.4
72.77980	13.3
77.26637	12.7
78.13939	15.5
96.96045	13.6
123.12814	12.7
127.88866	14.0
142.32658	16.7
156.92764	14.0
171.00114	14.3
215.89429	15.9
226.24557	15.2
263.11349	81.6
300.54987	16.3
308.42249	18.7
421.23114	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2377
Annotation	Clusiparalicoline A
Peak:m/z	Relative Intensity
50.68617	0.4
54.56588	0.4
56.35591	0.4
59.01384	0.7
78.95901	28.6
79.95749	0.6
80.96057	0.9
80.96513	19.2
80.98450	0.6
96.96955	4.8
114.35673	0.7
150.97946	2.5
152.99585	100.0
165.73181	0.5
171.00665	2.7
267.23282	1.0
272.42874	0.5
421.23386	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2376
Annotation	Clusiparalicoline A
Peak:m/z	Relative Intensity
51.70487	0.6
54.05206	0.6
55.13639	0.6
56.00262	0.6
59.48454	0.8
69.44487	0.6
78.95898	27.1
80.96513	26.8
88.78738	0.7
96.95997	4.9
96.96953	3.9
111.92619	0.7
150.97961	1.0
152.99580	100.0
158.40451	0.9
160.30756	1.0
171.00642	1.8
251.90002	0.8
263.11511	0.9
267.23267	0.9
288.45071	1.0
339.62579	0.8
421.23148	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25069	6.2
56.48500	5.9
61.11661	7.5
61.98836	100.0
63.27046	5.8
78.95940	9.0
85.05905	8.5
88.91721	7.4
105.02065	7.3
110.35614	7.0
111.93172	7.3
114.58868	7.8
129.76120	8.2
211.70300	7.9
238.36723	8.0
244.26593	9.2
421.27261	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
59.01384	52.4
61.08508	0.6
63.28051	0.5
71.01379	11.4
73.02948	4.8
83.01384	2.7
85.02951	5.7
89.02451	1.4
92.23027	0.9
95.01371	1.3
99.00860	1.5
101.02438	12.9
111.00848	0.7
113.02430	6.4
123.64009	0.7
127.43968	0.7
161.04503	0.7
181.05098	3.0
196.07411	6.5
211.09779	4.2
263.11319	0.9
315.17026	0.7
403.23184	2.9
421.24506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16817	0.4
56.23381	0.4
57.03452	0.7
59.01386	57.1
71.01383	10.4
73.02947	6.4
83.01386	3.6
85.02945	6.7
86.00122	0.9
87.00879	0.7
89.02442	3.2
92.22511	0.9
95.01387	2.0
96.16970	0.5
96.95987	0.9
97.34875	0.5
99.00862	2.1
101.02441	15.0
113.02438	8.4
119.03462	0.8
125.02477	0.8
146.05020	0.5
159.03032	1.0
161.04576	2.5
167.00206	0.9
216.31340	0.6
263.11337	4.6
271.06195	3.1
281.99847	0.6
329.52493	0.6
361.22375	1.1
403.23447	3.2
421.15356	3.7
421.24530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2602
Annotation	Hamachilobene D
Peak:m/z	Relative Intensity
52.45359	0.8
57.10150	0.8
59.01383	100.0
61.98845	1.0
70.94207	1.0
77.36367	0.9
87.10211	0.9
102.10270	0.8
102.28025	0.9
109.03593	1.0
111.04519	1.7
113.02453	1.2
137.02422	1.1
180.97006	1.0
237.25475	1.1
262.77640	1.1
317.21329	1.5
343.22586	2.3
361.23846	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2601
Annotation	Hamachilobene D
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	8.5
99.04562	1.0
111.04544	1.0
137.45309	0.9
187.15433	1.0
243.41203	0.9
317.21277	11.6
333.24509	1.4
343.22766	5.7
361.23862	33.1
421.26242	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15339	0.5
59.01340	0.7
59.53279	0.6
65.83253	0.6
68.33786	0.7
70.93864	0.6
73.63093	0.6
78.95899	1.5
79.95734	36.9
80.96510	2.7
85.06570	1.4
96.27104	0.6
96.96054	0.7
101.06087	1.1
128.74823	0.9
152.99617	1.1
165.02261	100.0
179.03835	48.5
179.05449	1.2
193.05423	7.2
218.87556	0.7
221.08572	1.1
241.21820	1.1
255.23309	2.9
260.79852	0.7
267.06918	0.7
271.22815	1.4
272.23108	1.0
352.23380	0.8
421.27066	3.9
444.09412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2752
Annotation	Remangilone B
Peak:m/z	Relative Intensity
53.49305	0.5
60.52094	0.5
64.68110	0.6
84.92970	0.6
129.24629	0.6
187.07587	1.1
211.11360	1.0
215.10757	1.3
226.10101	0.8
227.10823	2.9
239.07164	2.8
241.08743	3.3
241.12360	0.6
243.10278	2.7
253.08844	1.5
254.09502	1.3
254.13196	1.4
255.10291	17.4
256.11023	0.6
256.14862	1.0
267.10287	10.3
269.15442	2.9
282.12698	1.1
283.13431	4.7
295.13574	2.2
297.14935	13.8
309.14911	6.9
323.20361	0.8
324.20947	1.4
335.16705	0.9
337.18152	1.2
338.22528	3.1
350.22543	1.4
364.20453	1.1
378.21677	1.4
378.25815	2.8
393.27750	0.8
421.27585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.56712	36.0
80.96473	41.1
92.23047	46.0
107.87362	37.6
157.21848	38.1
159.07986	40.2
159.10265	89.4
171.94479	45.1
279.23343	100.0
281.28482	49.2
314.72958	45.5
318.26636	45.5
388.15042	49.0
396.63495	44.9
421.33456	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47015	2.4
58.73634	2.2
60.44785	2.0
66.02885	2.7
68.99828	5.7
168.61694	2.3
204.60204	2.5
221.02237	2.5
222.07266	2.2
264.06625	11.2
276.06757	5.1
280.06097	2.4
288.06631	2.7
290.04578	11.9
291.05496	2.8
292.06204	48.9
303.05389	5.2
304.06229	13.1
306.04303	4.8
306.07788	9.6
307.08661	2.9
318.04147	30.2
318.07672	3.8
319.05045	26.9
320.05743	61.5
332.05710	12.8
334.07413	19.5
335.08102	15.0
347.04471	17.1
348.05228	77.2
350.10123	16.4
362.06747	18.1
363.07599	45.1
378.09869	100.0
402.02179	3.0
422.08749	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47523	0.5
61.62519	0.6
61.98835	100.0
63.62280	0.6
65.91418	0.6
72.99297	10.0
110.02594	0.6
123.04503	1.2
135.04510	2.2
139.77452	0.7
179.03485	8.9
181.66643	0.7
197.04590	24.8
256.01266	0.7
359.09921	38.4
432.02048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25223	0.5
56.70932	0.5
60.41435	0.5
61.98835	100.0
72.99306	9.9
88.94467	0.6
97.01959	0.6
123.04503	1.4
135.04546	2.9
179.03488	10.3
197.02881	1.3
197.04587	26.5
218.75639	0.8
225.21794	0.8
231.69537	0.6
329.91898	0.7
339.43927	0.7
359.09882	36.9
419.19507	0.8
422.08530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88646	0.5
56.27681	0.5
61.04820	0.5
61.98834	100.0
72.99300	10.5
73.62447	0.5
74.46797	0.5
76.09834	0.5
76.52229	0.5
123.04503	1.3
135.04535	2.3
144.97475	0.6
167.28246	0.6
179.03508	11.2
197.04553	27.2
211.78488	0.6
219.14883	0.5
234.54344	0.5
359.09894	39.0
383.25592	0.6
422.09045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.9
64.43802	0.9
70.03008	1.3
71.01379	2.3
82.02987	6.8
84.00401	1.0
84.00908	4.2
93.45139	1.0
109.75493	1.3
112.04036	13.4
113.02444	4.1
117.03403	1.5
124.04050	1.4
129.06654	1.0
132.02197	4.0
133.02977	1.9
134.03749	49.7
135.04532	1.5
147.04518	4.2
148.05322	2.3
149.06059	11.7
160.01663	65.4
175.04016	100.0
176.04803	15.2
177.01880	1.5
178.02765	7.3
191.07182	11.1
192.04346	2.0
193.05074	39.1
220.03873	1.5
235.06070	11.2
265.07227	1.8
269.73322	1.0
289.96582	1.2
295.08188	5.7
378.11951	13.9
422.04959	1.7
422.10641	1.5
429.26279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76136	0.4
50.78548	0.5
59.01397	0.6
61.98831	100.0
77.75999	0.4
203.05968	2.4
208.51965	0.5
235.08487	2.3
267.07602	2.2
280.07764	0.5
359.16119	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27806	1.5
58.02963	3.0
74.02465	15.9
74.11074	1.8
76.63851	1.7
82.65919	1.8
84.17419	2.1
85.04073	3.0
86.02464	12.9
89.97765	1.9
92.23064	4.2
94.98089	2.7
97.04074	18.0
99.05634	12.0
100.00395	4.1
102.00163	3.4
103.38137	2.0
105.99686	23.5
114.00169	3.6
127.05129	4.6
128.03540	97.4
135.05653	3.2
141.03078	3.9
143.04620	64.4
145.06172	4.1
146.04568	11.0
153.03149	2.0
153.06703	14.8
160.00781	4.4
169.06224	3.6
175.01863	26.7
179.04607	23.6
182.09373	2.2
197.05678	10.8
210.08876	14.1
226.08328	3.4
234.16212	2.3
254.07838	22.5
272.08887	50.4
304.06128	100.0
321.06439	4.4
322.07043	4.9
371.60275	2.1
404.15033	3.4
422.16132	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44627	2.2
53.93243	2.1
57.23463	1.9
59.01380	22.3
69.70451	2.3
71.01393	20.9
73.02940	2.7
85.02962	4.5
86.69781	2.4
89.02433	24.8
91.44218	2.4
100.43767	2.3
101.02439	21.1
113.02448	10.7
119.03539	8.5
135.01935	2.6
146.11020	2.6
161.04552	5.0
168.96750	2.5
212.28088	2.9
281.12439	100.0
422.16815	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78289	0.7
56.05902	0.6
57.03469	0.9
59.01099	1.3
59.01380	19.5
71.01379	19.6
71.01742	1.5
72.01706	3.3
73.02943	13.6
74.03292	1.9
78.57216	0.8
83.01376	5.5
83.78539	0.8
85.02943	13.0
86.03305	1.3
88.52861	0.9
89.02442	9.0
92.22506	1.0
99.00868	6.4
100.74756	0.7
101.01775	1.3
101.02432	28.1
102.02754	8.5
113.02446	10.7
114.02757	3.7
119.03488	1.0
138.83763	0.9
159.02994	1.4
161.04558	3.4
166.23289	0.9
196.69054	0.8
258.84952	0.9
270.51151	0.8
289.16620	1.9
290.16962	10.2
346.42526	0.9
422.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59209	0.5
53.47417	0.4
61.98842	0.6
72.95268	0.5
77.61216	0.5
79.95734	21.4
79.96159	1.1
80.96533	2.9
81.16384	0.5
83.07238	0.4
96.95370	1.3
96.96003	39.5
97.16306	0.5
111.72402	0.5
139.11340	0.7
141.12918	1.2
157.12416	2.4
183.01120	0.6
183.10342	0.6
200.12929	12.1
221.08540	100.0
242.47104	0.5
255.93547	0.6
264.09122	1.3
276.24255	0.5
304.92130	0.6
331.62500	0.6
376.21875	2.2
422.26169	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32227	0.6
60.35516	0.5
61.98829	100.0
65.18657	0.7
71.48570	0.6
78.95888	9.9
80.68953	0.6
80.96504	0.7
92.80765	0.6
105.19809	0.6
145.49939	0.7
152.99577	19.7
153.99971	3.6
163.90033	0.7
174.85782	0.7
196.25475	0.6
229.44131	0.7
268.23788	0.7
277.94385	0.7
347.29587	0.8
422.23965	11.0
442.02649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32227	0.6
60.35516	0.5
61.98829	100.0
65.18657	0.7
71.48570	0.6
78.95888	9.9
80.68953	0.6
80.96504	0.7
92.80765	0.6
105.19809	0.6
145.49939	0.7
152.99577	19.7
153.99971	3.6
163.90033	0.7
174.85782	0.7
196.25475	0.6
229.44131	0.7
268.23788	0.7
277.94385	0.7
347.29587	0.8
422.23965	11.0
442.02649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.09991	0.5
85.20553	0.5
85.32578	0.5
92.22527	0.8
134.30086	0.5
152.57945	0.5
152.99548	1.2
164.97346	0.6
296.07654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06500	1.1
57.22070	1.3
61.98821	2.3
79.95738	6.1
87.42535	1.5
96.00474	1.3
96.96004	100.0
153.49344	1.4
172.18477	1.5
183.46342	1.5
193.05388	2.7
207.06981	11.8
214.14444	2.4
231.93262	1.7
382.26843	1.7
422.25897	92.8
444.73343	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17700	1.0
60.20790	0.8
61.98836	8.8
63.70607	1.0
71.10754	1.0
73.93124	1.1
75.88422	1.0
79.95726	19.9
80.96513	2.0
96.96004	75.9
111.10765	1.0
139.11343	2.1
183.10284	1.4
200.12909	11.8
221.08545	100.0
251.46909	1.3
364.09824	1.1
398.81033	1.0
422.25931	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92532	1.0
89.02456	5.6
95.38095	1.4
128.89841	1.3
132.06712	2.6
152.99635	5.3
163.11298	80.0
179.10690	1.4
189.66910	1.3
246.18649	67.0
377.16144	1.3
386.29114	26.4
394.40005	1.3
422.26855	7.4
422.30978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91731	0.4
51.22922	0.4
52.99706	0.4
53.83048	0.4
55.73256	0.4
72.11505	0.4
82.90468	0.4
85.46245	0.5
99.00875	2.3
99.41666	0.4
110.02574	0.6
281.24887	100.0
340.10028	0.5
353.95798	0.5
422.29111	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37033	0.5
65.10358	0.6
71.15546	0.6
78.95895	11.5
79.05015	0.6
79.32809	0.6
86.32188	0.7
97.91359	0.6
132.73125	0.6
148.11853	0.7
152.99576	18.1
153.99962	2.6
163.11279	85.1
194.09492	1.0
246.18633	67.2
344.98383	0.9
422.24222	7.0
422.30679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45075	0.8
61.98819	3.7
69.17118	0.7
78.95908	8.7
89.02456	1.1
93.06850	0.7
93.47593	0.7
104.94238	0.8
113.98523	0.7
127.87022	0.8
132.06633	3.2
144.06689	1.2
152.99600	13.2
153.99879	3.4
163.11285	92.9
179.10756	0.9
180.28104	1.0
208.17847	0.8
231.83591	0.9
246.18625	65.9
265.21661	1.0
386.29181	8.4
422.25269	5.3
422.30743	100.0
449.42041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31762	0.5
61.98824	1.2
74.65974	0.5
80.96532	2.4
95.97257	0.5
130.08757	1.0
152.99571	2.5
162.10527	1.2
163.11295	83.2
194.09430	0.7
211.01781	0.5
219.70766	0.7
246.18649	69.0
253.44940	0.6
336.44800	0.6
422.30707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3072
Annotation	Radarin B
Peak:m/z	Relative Intensity
52.60784	0.8
62.00163	1.0
65.17936	0.9
66.73511	0.9
69.63757	1.0
77.08358	1.0
78.91891	1.5
78.95934	1.8
88.04050	1.1
89.02446	2.7
113.12463	1.1
114.05582	1.3
129.51660	1.0
130.08786	1.4
132.06740	1.7
144.06749	1.8
152.99654	5.0
163.11299	84.3
226.92738	1.0
246.18652	60.7
246.21146	2.3
386.29077	25.2
422.26855	7.4
422.30981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49050	0.6
54.48011	0.7
56.04580	0.6
61.98821	2.1
70.03156	0.8
75.62737	0.6
78.95892	6.1
80.52686	0.7
80.96516	0.9
152.99576	16.0
154.00006	1.3
158.37651	0.9
162.05249	0.9
163.11290	85.4
172.51447	0.8
177.81874	0.8
205.76088	0.8
246.18631	61.6
335.03201	0.9
422.24338	4.6
422.30695	100.0
428.28299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40886	0.4
59.01375	0.8
59.28482	0.5
61.14148	0.4
61.98822	0.5
65.63287	0.4
77.65179	0.4
96.96008	1.2
112.33897	0.5
126.36337	0.5
131.20039	0.5
142.96812	0.6
171.34099	0.6
208.65387	0.5
211.87004	0.6
232.86734	0.6
252.19164	0.5
285.00369	1.2
297.60590	0.6
297.97556	5.5
312.99936	59.9
328.02274	100.0
343.04630	73.2
343.07886	1.1
343.09061	0.8
423.00336	16.6
423.16745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21197	0.9
59.01385	8.0
71.01383	1.9
79.95734	4.6
85.55656	0.9
89.02434	3.9
95.36669	0.9
98.21302	0.8
101.02460	2.1
107.73920	1.1
113.02438	1.2
119.05016	45.4
120.05386	0.9
135.04527	5.8
160.82431	0.9
163.04021	53.6
181.05046	17.0
199.00729	39.2
199.02553	1.5
215.00218	24.5
215.02124	1.6
223.06110	1.8
261.00745	13.2
343.10361	6.1
423.06094	100.0
423.23267	5.2
436.47009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64564	0.7
59.01381	6.7
71.01363	1.6
78.80418	1.0
79.95731	4.9
89.02431	3.8
97.67271	0.8
101.02426	1.7
113.02409	1.7
119.05021	46.1
119.56764	1.0
135.04510	4.1
163.04007	69.1
166.57594	1.1
181.05077	16.6
181.72192	0.9
199.00728	36.5
215.00204	21.8
223.06039	1.7
242.99556	1.1
261.00797	10.0
292.64783	1.1
300.47836	0.9
343.10315	7.0
423.06113	100.0
423.11984	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16247	0.6
54.24923	0.5
57.11457	0.6
59.01377	4.4
63.91711	0.5
67.08791	0.7
70.50938	0.6
71.01361	0.8
75.08751	0.6
81.03446	7.5
83.05024	4.6
89.02435	1.2
93.03450	5.1
97.19329	0.7
101.02428	1.3
109.02943	3.0
111.04513	60.0
113.02446	0.9
115.23809	0.6
119.03543	0.7
127.04009	100.0
132.83000	0.6
137.02434	7.7
149.02496	1.6
155.03508	57.6
159.08022	0.7
161.06073	5.2
164.04797	3.9
173.04582	4.8
191.05614	1.0
199.02502	49.6
205.05083	1.4
223.06123	3.6
228.98032	0.6
249.99744	0.7
260.63184	0.7
296.25043	0.8
353.86960	0.8
423.18607	1.1
447.42963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43026	0.5
59.01382	12.2
71.01385	4.7
73.02951	2.8
81.03471	5.1
83.05036	6.0
85.02969	1.4
88.83263	0.7
89.02467	0.9
93.03457	6.3
99.00885	1.1
101.02451	6.2
109.02940	3.4
111.04514	57.6
113.02414	2.9
119.05001	1.2
127.04011	100.0
137.02466	8.6
145.02956	0.7
149.02408	3.5
155.03506	70.1
161.04556	3.0
163.04060	1.5
164.04868	5.1
199.02502	53.6
217.03548	0.9
223.06113	1.7
223.13039	0.8
249.13576	5.4
286.61273	0.8
381.17642	3.3
423.09290	0.9
423.18738	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50726	1.3
59.01372	3.5
61.28395	1.3
81.03465	8.2
82.02232	1.6
83.05033	8.5
93.03426	2.7
99.53381	1.4
101.02447	1.8
102.95340	1.4
109.02960	5.9
111.04504	59.8
127.04005	100.0
137.02451	5.1
145.02986	1.7
149.02348	2.1
154.97951	1.4
155.03497	75.9
164.04825	5.7
199.02490	62.6
209.23830	1.7
213.53764	1.8
260.94012	1.8
323.39301	1.7
423.22540	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58445	1.0
59.01391	8.5
71.01385	1.0
78.45588	1.1
81.03455	7.0
83.05035	5.2
93.03475	1.9
109.02950	2.0
111.04512	60.1
111.05280	2.1
111.64295	1.2
116.14929	0.9
127.04011	100.0
137.02451	8.1
149.02448	4.6
155.03511	61.2
164.04784	5.6
199.02502	53.0
205.05104	2.3
221.08173	1.3
223.06157	4.8
249.84315	1.2
261.13525	2.0
267.07190	1.1
269.11304	1.2
299.58652	1.3
353.23477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21140	0.4
59.01373	0.8
63.51780	0.4
67.53811	0.5
69.36082	0.5
74.94572	0.5
101.47620	0.5
119.05016	83.8
134.03737	2.7
135.04080	1.0
151.03947	0.9
153.01898	0.7
160.01646	2.5
161.02002	2.1
163.04010	100.0
164.84897	0.5
165.05562	0.7
168.04256	1.0
175.03992	3.5
176.04337	4.1
181.05098	0.5
193.05032	0.8
194.05423	0.9
218.78900	0.6
236.06578	0.7
237.29672	0.7
262.93848	0.6
266.07623	0.6
317.10535	0.6
325.09671	1.7
423.12881	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38055	1.5
56.23854	1.1
59.01384	13.0
71.01380	3.6
72.61308	1.4
82.33292	1.3
84.88151	1.3
85.02945	3.4
89.02448	2.1
89.57217	1.3
93.19953	1.4
101.02446	6.7
113.02393	2.0
119.05017	45.8
121.02968	2.0
133.06599	2.2
145.02959	49.3
159.05730	1.5
161.06093	41.4
163.02634	3.5
163.04015	100.0
168.64677	1.4
173.09729	2.0
177.05533	2.4
185.12259	1.8
187.04016	7.0
189.05594	8.8
191.05629	9.4
193.05064	3.0
195.34213	1.5
205.05075	49.7
217.05026	2.0
217.08575	2.1
235.06142	49.7
259.09708	1.5
261.07596	3.3
261.95773	1.8
265.07193	79.0
265.12924	2.0
303.08850	2.3
307.83646	1.6
325.09241	18.4
333.09845	5.8
343.01541	1.6
379.10403	7.5
419.93222	1.5
423.16565	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1304
Annotation	Rutarin
Peak:m/z	Relative Intensity
57.03460	1.0
59.01381	5.5
65.52887	0.6
71.01395	1.1
73.02957	0.6
83.01360	0.9
85.02945	63.1
89.02453	1.2
95.71165	0.6
101.02443	1.6
103.03997	3.1
112.03037	0.6
113.02429	1.3
118.11806	0.7
119.05019	59.8
121.02926	1.0
131.05048	1.4
133.06615	1.0
161.06123	1.2
163.04016	44.1
173.04506	0.7
189.05620	4.0
205.05019	1.2
217.08711	100.0
249.79044	0.7
261.07715	38.5
318.71472	0.9
423.13342	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.5
71.01378	3.8
73.75639	2.0
74.17138	2.1
76.04185	2.2
77.75895	2.1
80.73150	2.2
85.02953	5.4
86.29825	2.1
89.02443	9.8
97.02940	2.3
101.02428	11.5
113.02419	4.0
116.05794	2.4
119.05015	54.8
130.04045	2.8
145.02956	57.8
161.06081	45.3
162.65916	2.2
162.81490	2.2
163.04016	100.0
187.03992	5.2
189.05591	14.0
198.14423	2.8
205.05083	49.9
217.08766	2.4
223.15594	2.5
235.06126	52.3
241.95549	3.0
259.09579	3.9
261.07559	7.7
265.07193	85.6
265.12927	2.8
273.86786	2.4
325.09323	26.0
363.11075	3.1
423.12482	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
84.53300	0.5
87.66368	0.5
92.23093	1.0
109.23997	0.5
118.57633	0.5
119.05016	87.6
119.21785	0.5
163.04007	100.0
233.30917	0.6
268.39063	0.6
325.09360	4.5
423.13058	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28945	0.2
58.05749	0.2
58.72664	0.2
59.01389	3.4
61.53600	0.2
63.13539	0.3
71.01383	1.7
85.02955	0.4
89.02433	1.0
97.02972	0.4
99.46424	0.3
101.02433	1.0
112.94921	0.2
113.02435	0.4
115.04024	2.2
117.03453	9.9
119.05010	8.7
120.79516	0.3
127.04022	0.3
133.06607	0.5
145.02951	100.0
151.05450	0.2
158.03709	0.3
159.04514	1.2
161.06081	1.3
163.04016	11.9
187.04025	4.4
205.05122	0.6
225.26422	0.3
325.09399	3.2
423.13135	10.1
423.18481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70446	0.3
56.83844	0.4
59.01387	8.4
62.38076	0.3
64.66396	0.4
71.01373	4.8
83.01348	0.6
85.02910	0.5
89.02441	5.6
91.38096	0.4
92.23129	0.4
101.02441	3.9
103.54545	0.4
111.00831	0.4
111.04522	2.0
113.02431	3.5
115.14320	0.4
117.03465	9.3
119.03596	0.9
119.05020	27.2
121.02977	0.6
127.04000	3.2
132.05907	0.5
133.06631	4.1
145.02956	100.0
155.03491	2.5
159.04546	0.6
161.06093	25.0
162.03238	0.5
163.04015	41.7
163.10886	0.4
173.06114	0.5
177.05565	6.3
187.04025	2.6
193.84677	0.4
199.02463	2.0
205.05086	29.2
235.06131	19.2
235.08521	0.7
249.13376	0.5
265.07199	47.9
315.21066	0.5
325.09341	10.5
335.30942	0.4
361.21576	0.5
423.12952	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.9
60.62645	0.7
61.46092	0.6
61.97723	0.6
65.39655	0.6
67.45138	0.7
71.01361	5.1
72.54602	0.7
73.00128	0.7
78.95901	3.9
79.95728	2.6
89.02442	4.9
92.11391	0.7
96.95992	5.3
96.96981	0.7
101.02460	5.5
111.04517	3.5
113.02423	1.6
116.67784	0.7
117.03468	6.1
119.03597	0.8
119.05015	31.7
121.02911	1.3
127.04009	5.9
133.06595	3.9
145.02956	100.0
155.03513	4.0
161.04720	0.9
161.06087	26.7
163.04008	47.8
164.04913	0.7
177.05589	3.2
185.13542	0.7
187.04027	1.7
199.02512	2.8
205.05086	29.5
235.06165	24.1
265.07199	55.2
276.21143	0.7
307.08514	0.8
325.09363	10.5
423.12482	19.6
423.17416	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66274	1.9
59.01382	21.2
65.15398	1.8
71.01384	32.8
73.02944	10.0
75.00864	1.7
79.85153	1.6
81.03458	12.5
84.36993	1.8
85.02928	9.0
89.02429	14.4
99.00852	2.2
99.04500	23.0
101.02434	25.1
113.02431	19.0
119.03467	2.3
129.14285	2.0
156.00711	1.9
159.03009	2.8
161.04530	17.0
163.95238	2.1
279.10873	100.0
363.16589	4.4
372.96725	2.1
400.15082	2.1
423.18948	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1667
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
57.03200	1.0
57.03456	19.6
59.01147	1.2
59.01385	25.5
70.00452	1.0
78.59686	1.0
78.95370	1.1
80.79703	1.1
84.15260	1.0
92.69139	1.4
97.02927	1.6
99.04520	19.6
101.02450	4.6
107.19087	1.2
109.06583	1.8
111.04530	2.1
121.06575	1.7
122.03748	1.6
124.05300	2.7
125.06135	1.1
133.06599	5.1
137.06068	5.8
139.07652	100.0
147.08107	1.5
161.04556	8.0
168.07918	19.6
168.91922	1.1
169.08676	6.3
187.11308	10.4
190.10011	1.8
205.12328	22.2
210.09279	1.3
249.11490	1.9
261.11276	1.5
263.34885	1.2
279.12396	73.3
279.15500	2.5
321.13489	2.2
423.16696	35.6
445.43396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05795	1.3
51.69823	1.2
57.03446	23.0
59.01381	15.0
62.71657	1.3
67.55534	1.5
75.67779	1.5
78.33670	1.4
78.95906	1.7
79.70047	1.6
97.02939	9.6
99.04501	15.1
101.02430	7.2
109.02935	6.9
109.06581	12.2
111.04517	10.5
119.08724	3.4
120.35749	1.5
121.06578	2.0
122.03697	6.4
125.02397	11.5
127.03983	11.1
137.06102	11.7
137.09724	2.0
139.07663	28.2
155.03502	8.3
163.07539	1.9
177.12845	2.5
187.11304	45.7
190.10037	3.9
199.02525	3.6
205.12346	100.0
205.14308	3.3
217.12393	6.6
235.13336	19.3
249.11311	2.9
258.23303	2.0
279.12369	71.3
287.84613	1.7
321.13409	8.4
361.16467	3.3
423.16705	35.9
445.74622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1668
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
52.64193	0.6
57.03444	3.8
59.01381	46.8
71.01353	0.9
71.42676	0.6
73.02956	0.8
77.30159	0.7
78.95906	0.9
79.33878	0.7
79.97208	0.7
99.04522	1.0
111.04500	5.0
119.05027	1.2
127.04012	5.1
130.26091	0.8
155.03487	3.5
163.03964	3.2
187.11227	1.0
199.02460	3.5
199.11284	1.7
257.15552	1.2
259.13391	1.0
270.22913	0.7
283.13452	5.2
306.69321	0.9
319.15524	4.3
345.13251	0.9
365.31137	0.9
379.17603	1.3
405.15375	1.3
411.67441	0.9
423.16690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1668
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
50.85035	0.4
59.01380	5.9
71.01379	1.1
71.99967	0.4
72.97542	0.4
78.20787	0.5
85.02956	0.6
86.12902	0.4
89.02454	2.4
96.96005	0.9
101.02451	2.8
113.02461	2.2
119.03494	0.5
123.53086	0.5
127.03954	0.7
133.02954	9.7
134.03717	0.6
135.04524	3.6
137.02394	0.6
161.02443	100.0
173.17577	0.5
179.03450	4.8
204.49091	0.5
247.25635	0.4
357.21295	0.5
396.53284	0.5
423.16678	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01110	1.0
59.01381	20.7
74.08317	0.7
78.95880	6.4
79.95737	4.3
80.96491	1.0
81.03482	0.8
83.05032	1.7
92.23154	0.8
93.03454	0.8
96.96004	16.9
96.96952	1.4
99.04484	1.3
100.93774	0.7
111.04498	3.5
119.05002	3.8
127.04003	4.1
136.99089	0.8
145.02966	1.1
147.63934	0.7
147.71303	0.7
155.03497	3.2
161.09642	1.3
163.04037	4.7
172.09798	1.7
175.07687	0.9
175.26904	0.7
187.11317	1.0
199.02458	1.2
201.11324	1.4
217.03540	1.1
236.06073	1.1
250.07523	4.4
255.17545	3.4
257.15521	3.7
301.14337	1.2
361.16583	5.7
363.14304	6.2
405.15561	3.6
423.16736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
52.81998	0.7
53.78809	0.8
59.01382	45.7
70.64214	0.8
71.01372	20.6
71.23010	1.2
72.99300	1.3
73.02942	2.2
75.00855	3.9
75.54594	0.8
84.81226	1.0
85.02946	4.1
86.26412	0.9
89.02438	22.9
95.01408	0.9
95.05024	4.4
99.00880	1.3
101.02438	18.8
113.02435	10.3
115.00391	1.9
115.04000	1.6
119.03471	12.3
122.57954	1.0
125.02460	0.9
128.07196	0.8
133.01436	1.4
161.04538	2.1
171.93098	1.2
243.12497	1.5
243.27115	0.9
249.36795	0.9
255.94705	1.0
265.11267	1.1
313.07312	0.9
327.59033	0.9
341.78949	0.9
345.09656	3.2
363.16724	1.7
407.42838	0.9
423.14020	7.6
423.18896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91991	1.6
59.01378	68.9
61.98826	11.1
71.01371	31.2
73.02928	17.7
83.01406	2.8
85.02955	12.9
89.02438	31.6
95.01362	2.5
99.00877	3.0
99.04514	3.3
101.02440	25.4
109.06580	4.5
110.76950	1.8
113.02478	17.2
116.68253	2.0
119.03482	8.8
125.06072	12.6
127.07675	16.5
153.09229	2.0
161.04555	8.9
165.09250	14.2
179.05624	2.7
183.10271	3.1
201.11317	25.9
277.01514	2.1
279.10806	2.0
280.51508	2.1
363.16660	100.0
423.13974	6.5
423.19370	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46920	1.8
54.06620	2.1
59.01382	12.7
62.32401	2.4
62.75877	2.3
71.01329	2.9
76.28404	2.0
78.95905	36.8
119.22771	2.8
124.64474	2.3
125.09711	90.5
137.14946	2.7
156.69536	2.4
160.89008	2.2
169.08708	5.1
170.58060	2.6
187.09764	100.0
242.88794	2.5
423.06921	26.8
423.18652	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
59.01382	100.0
59.31568	0.9
64.73450	0.9
66.20623	1.0
71.01374	18.7
71.62850	0.9
72.80402	0.9
73.02943	9.7
74.91322	1.0
75.83804	1.0
83.01382	1.7
85.02941	8.8
89.02432	5.3
92.57085	1.0
99.00854	2.4
101.02444	27.7
105.73550	1.0
109.57446	1.1
113.02457	12.5
119.05010	26.2
119.29786	1.0
125.09683	1.9
141.36089	1.0
143.48541	1.0
159.03050	1.8
161.04590	9.4
163.03990	33.8
187.09753	2.1
194.36189	1.1
265.12930	84.6
423.18845	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45331	0.5
59.01384	100.0
67.91368	0.6
71.01380	1.1
73.02945	3.4
83.82365	0.6
89.02445	6.2
99.00809	0.8
101.02427	7.1
113.02444	4.0
117.05534	1.4
119.03480	2.8
127.30161	0.8
137.17068	0.8
147.93639	0.7
155.09430	0.7
161.04538	1.6
175.15877	0.8
219.18613	0.6
245.10287	6.7
263.11343	8.4
305.12479	29.5
314.60934	0.7
423.18591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23284	0.7
59.01382	100.0
70.52604	0.7
71.01382	16.8
73.02941	8.3
83.01400	3.3
85.02950	8.8
89.02428	9.3
91.16709	0.8
95.01346	0.8
99.00875	1.8
101.02437	25.0
108.35634	0.7
113.02444	12.8
118.53234	0.8
119.03478	1.7
125.02394	0.9
125.91453	0.7
143.03447	1.1
153.15848	0.8
159.02971	1.6
160.59251	0.9
161.04547	12.5
216.54277	0.9
265.12943	85.7
357.79465	1.1
363.20383	5.4
404.43298	1.0
423.17618	5.8
423.22443	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45331	0.5
59.01384	100.0
67.91368	0.6
71.01380	1.1
73.02945	3.4
83.82365	0.6
89.02445	6.2
99.00809	0.8
101.02427	7.1
113.02444	4.0
117.05534	1.4
119.03480	2.8
127.30161	0.8
137.17068	0.8
147.93639	0.7
155.09430	0.7
161.04538	1.6
175.15877	0.8
219.18613	0.6
245.10287	6.7
263.11343	8.4
305.12479	29.5
314.60934	0.7
423.18591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2158
Annotation	Walsurin
Peak:m/z	Relative Intensity
54.23374	0.4
57.03456	0.7
67.20828	0.5
71.05018	0.5
77.84726	0.6
78.95900	27.9
79.95749	0.5
82.98798	0.5
85.02959	0.6
93.51006	0.5
96.96024	1.0
96.96941	3.3
97.12675	0.5
152.99583	100.0
171.00565	0.7
171.10345	0.9
196.28474	0.5
197.19118	0.5
225.22256	1.1
269.21301	0.9
309.20728	0.5
365.21310	0.6
423.21478	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03447	1.0
59.01382	19.9
71.01382	26.1
73.02935	15.1
80.00050	0.8
83.01384	5.9
85.02943	12.5
89.02435	7.9
89.02880	0.8
92.23053	0.8
95.01360	1.4
96.55820	0.7
96.95990	1.7
97.02929	1.7
99.00860	7.0
101.02437	35.5
102.59166	0.9
104.70068	0.8
104.80966	0.9
106.29643	0.9
111.00881	1.1
113.02444	14.7
116.07219	0.9
125.02434	1.3
141.56187	0.9
159.02953	1.0
161.04565	5.2
291.18124	14.8
317.70068	1.0
323.14365	0.9
350.87259	1.0
423.22427	100.0
423.58395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
59.01102	2.5
59.01384	35.4
61.31443	1.3
71.01383	45.3
72.99315	1.7
73.02941	23.4
83.01382	9.3
83.17295	1.4
85.02946	29.7
87.00871	1.5
89.02459	11.7
91.95324	1.6
92.97237	1.4
96.96007	12.0
99.00890	10.0
101.02441	68.7
113.02438	28.4
120.12167	1.5
131.03514	1.8
140.15659	1.6
151.86020	1.5
159.03003	3.6
161.04570	15.9
291.14893	3.4
291.18179	100.0
341.11130	2.0
423.16833	12.3
423.22348	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2392
Annotation	Dendronpholide G
Peak:m/z	Relative Intensity
52.58945	1.1
53.25832	1.1
59.01380	47.5
60.99297	2.6
62.15979	1.3
62.38979	1.1
65.42089	1.1
67.01889	9.0
69.03451	2.8
71.01366	2.6
77.61985	1.2
85.02920	1.3
87.00875	19.0
93.03449	84.9
99.00873	1.9
99.04488	1.4
101.08223	1.2
101.33877	1.4
101.38240	1.3
104.19473	1.1
110.20658	1.2
111.04535	12.8
113.02394	1.8
113.06046	4.7
129.01886	2.0
146.92574	1.3
173.04527	25.3
173.64388	1.2
191.05612	16.1
197.11787	1.5
229.37241	1.3
249.18828	9.2
293.21194	4.8
309.20551	2.5
379.18381	1.5
423.23859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
52.13315	18.9
59.01377	32.0
64.56318	22.2
77.91518	20.7
78.95905	56.2
94.07874	25.7
96.95995	26.9
118.55186	23.9
122.24837	23.7
152.99628	100.0
156.22557	24.1
179.03856	26.9
199.94025	24.9
210.15067	25.3
350.35486	26.7
385.50858	27.2
423.24615	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78983	0.4
63.80289	0.5
65.77702	0.4
78.95899	39.3
92.08791	0.4
96.96943	4.4
101.42371	0.5
106.15006	0.5
114.09875	0.5
150.98036	1.8
152.99582	100.0
168.44748	0.4
171.00594	2.4
269.24844	4.3
423.25220	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46979	0.8
56.65800	0.5
59.01376	1.3
78.95901	28.3
96.96949	4.1
97.75809	0.7
98.03956	0.7
107.67098	0.6
122.97590	1.0
150.97939	0.9
152.99591	100.0
155.79710	0.7
165.54663	0.8
171.00612	4.0
180.89824	0.7
183.58121	0.7
255.23366	1.7
257.96674	0.7
261.41852	0.7
269.24872	1.5
295.22891	0.8
316.68750	0.7
342.85211	0.7
342.90054	0.7
349.15805	0.9
359.30255	0.7
410.94525	1.1
423.25269	38.4
430.06720	0.8
433.76016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2523
Annotation	1-heptadecanoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
50.86425	0.3
56.10793	0.3
59.90522	0.3
61.95501	0.3
77.92406	0.3
78.95901	40.2
96.96974	4.0
112.01418	0.4
139.10005	0.3
150.98065	1.4
152.99582	100.0
171.00600	2.4
198.15654	0.4
202.99820	0.5
229.01381	0.9
255.23308	0.7
269.24878	4.4
312.83673	0.4
423.25214	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.255
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
66.13288	0.5
78.95885	4.2
80.38344	0.6
83.05019	11.7
109.06569	0.8
114.14478	0.6
121.02948	0.7
122.20770	0.7
135.04486	4.9
145.02982	1.1
145.08655	0.8
146.03706	1.4
148.05281	0.7
150.03197	1.0
152.99593	9.2
159.04510	2.9
163.03993	7.8
173.02426	1.4
173.06062	1.4
174.03177	2.6
175.03979	3.7
175.07687	0.8
176.04796	1.1
186.03300	0.9
187.04056	6.0
187.07617	3.5
188.08421	1.2
200.04843	6.3
201.05565	6.1
203.07156	3.6
204.07840	1.5
215.07152	14.5
216.07840	4.0
217.08733	8.7
218.09502	2.9
227.07118	2.5
229.08640	2.6
242.13007	1.2
244.14554	0.7
255.10287	1.4
258.12494	2.9
258.16174	1.1
269.11853	0.9
270.12573	4.3
270.15613	0.6
272.14224	2.8
284.14258	6.9
285.14789	0.8
286.12277	0.9
286.15704	1.1
287.16541	15.8
299.20108	0.9
307.28198	0.9
324.17020	0.7
327.19666	9.8
339.19623	8.1
349.34836	0.7
354.18243	3.2
361.34698	0.8
405.24142	3.8
423.25314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2548
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
55.41965	0.5
60.51921	0.5
104.16670	0.6
108.55907	0.5
185.06030	1.1
187.07664	4.1
201.09196	1.0
211.07677	2.1
212.08618	1.1
213.09230	2.5
225.09171	3.3
227.10782	7.3
239.10829	2.5
240.11592	7.6
241.12344	3.5
242.13153	6.5
253.12369	3.1
254.13246	1.0
255.13924	8.7
256.14447	0.7
267.13846	4.3
268.14694	2.4
295.17068	12.1
296.32440	0.8
308.17932	1.2
309.18707	3.3
310.19437	24.7
324.21198	1.1
336.20776	0.6
379.26492	14.9
423.25473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2545
Annotation	iso-Dulcinol
Peak:m/z	Relative Intensity
56.56384	2.6
57.03452	45.9
57.26352	2.5
59.01376	5.5
66.07069	2.6
78.95902	13.5
79.05560	10.0
79.95731	5.5
83.05017	10.9
97.06560	3.3
121.06621	2.8
133.10233	4.6
145.10236	6.6
152.99576	37.4
187.09778	6.5
192.42612	3.3
235.10123	52.4
237.16394	4.6
321.22302	13.0
327.21423	4.7
343.24500	6.0
361.25400	12.8
365.21164	18.2
387.23477	18.3
405.24380	47.0
423.15540	5.2
423.25314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2546
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
58.58342	0.8
59.81289	0.8
62.07275	0.8
66.81598	0.8
71.79667	0.8
72.79688	0.8
79.09051	1.0
91.02455	0.9
112.87994	0.9
113.02512	1.2
169.19958	1.0
172.05264	4.1
175.18166	0.9
185.06100	4.6
187.07693	3.7
188.05336	1.2
189.09247	1.2
201.09306	1.9
213.09239	10.0
214.09915	1.4
225.09409	1.1
226.10107	2.1
227.10881	10.4
240.11586	22.3
241.12477	8.6
242.13177	11.5
253.12401	5.4
254.13261	1.2
255.13928	23.3
256.14691	3.3
267.13992	9.0
268.14658	1.2
279.23343	1.6
295.16879	1.7
309.18552	1.0
310.15939	1.7
310.19421	43.2
327.75366	0.9
336.20682	1.2
379.26346	9.2
398.39334	1.0
402.90610	0.9
423.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2547
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
54.24236	0.6
60.29662	0.6
63.90848	0.6
64.12992	0.6
64.34460	0.7
118.82333	0.8
121.02962	1.2
127.87334	0.6
135.04510	0.9
145.02913	3.1
146.03772	1.0
158.03651	1.5
159.04520	7.4
160.05368	0.8
172.05296	16.4
173.06073	7.0
185.06133	3.6
186.06929	1.2
187.07634	22.0
188.08423	6.0
199.07625	7.7
217.05151	1.1
227.11002	0.8
232.07481	1.2
241.12312	6.2
242.13132	15.1
256.14706	1.6
257.15244	2.3
268.14825	0.9
285.11310	4.6
310.19403	36.3
354.18326	1.7
379.26465	2.7
390.37595	0.8
423.25455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.0
59.01385	100.0
60.38506	0.8
70.38165	0.9
96.96010	4.3
101.02413	1.2
106.18536	0.8
109.06597	1.0
125.09724	1.7
130.08810	1.4
152.99557	0.9
153.55504	0.9
161.00218	1.0
171.10284	2.1
177.52005	0.9
185.11868	1.7
187.09764	1.1
197.11754	1.1
209.11888	2.0
211.13469	1.5
212.75209	1.0
223.13382	4.3
237.14992	3.7
307.19244	1.9
319.22653	1.3
325.20267	7.4
351.17572	2.3
363.25476	10.0
423.15805	1.4
423.23532	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3122
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
63.50538	0.8
67.05533	14.4
71.05031	1.0
109.06515	1.3
111.04512	4.0
177.14600	0.9
184.04359	1.0
201.86145	1.0
267.26941	11.8
315.74210	1.2
318.55972	1.1
319.30151	1.4
379.32242	33.5
423.31201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32040	0.4
51.17595	0.4
58.02969	3.0
59.01361	0.4
64.32069	0.4
86.11200	0.5
152.99574	0.7
195.17442	0.5
245.06662	0.5
304.40759	0.5
308.29623	2.2
319.30106	1.0
320.29517	2.4
332.67648	0.5
345.28131	0.8
361.32260	18.0
362.30688	12.2
363.12671	2.1
388.29080	0.5
406.29626	8.1
423.16388	1.8
423.32355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3273
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.21040	0.4
56.19695	0.4
58.36538	0.4
61.40034	0.5
62.03091	0.4
63.57024	0.4
89.37447	0.5
114.55118	0.6
116.45975	0.5
129.33923	0.5
146.84798	0.5
175.52948	0.6
193.52470	0.5
205.15985	100.0
224.41962	0.5
233.87378	0.5
310.19275	0.6
332.03320	0.6
423.32724	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36747	0.4
72.00914	1.0
73.02982	0.6
75.93488	0.4
78.95901	3.8
79.95766	0.4
85.01736	0.5
91.60964	0.4
93.01476	0.4
96.95968	0.5
96.96959	7.5
101.02435	9.1
140.29094	0.5
144.08218	0.7
147.04523	10.6
149.06126	0.6
164.07178	100.0
191.73239	0.5
206.08247	2.7
231.48759	0.5
236.09305	18.3
248.09349	0.8
266.10364	0.8
278.10312	1.1
326.12512	15.6
398.34201	0.5
424.08789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36747	0.4
72.00914	1.0
73.02982	0.6
75.93488	0.4
78.95901	3.8
79.95766	0.4
85.01736	0.5
91.60964	0.4
93.01476	0.4
96.95968	0.5
96.96959	7.5
101.02435	9.1
140.29094	0.5
144.08218	0.7
147.04523	10.6
149.06126	0.6
164.07178	100.0
191.73239	0.5
206.08247	2.7
231.48759	0.5
236.09305	18.3
248.09349	0.8
266.10364	0.8
278.10312	1.1
326.12512	15.6
398.34201	0.5
424.08789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28575	0.5
72.76776	0.6
78.01948	0.6
100.25276	0.6
117.03462	2.5
139.79492	0.6
145.02977	0.6
147.00833	1.0
147.04533	0.8
160.04042	2.7
161.02454	0.9
162.06912	1.1
175.02704	2.5
175.04028	2.4
188.03551	9.9
190.05106	0.9
214.01047	0.8
232.00035	0.8
274.05112	0.8
276.06744	0.9
289.07559	1.1
293.08170	0.8
301.07736	0.7
302.04544	1.4
304.06100	4.1
304.09845	5.1
316.06210	3.1
317.06873	2.8
318.07742	3.8
319.08377	0.9
322.07205	7.9
331.04916	1.0
332.05637	8.0
332.09265	4.3
333.09851	0.9
345.06372	5.3
346.07211	3.8
347.08017	2.8
350.06711	54.2
350.10339	4.0
352.11816	1.4
360.08875	12.0
361.09451	1.3
362.10507	5.8
364.08395	1.5
365.09070	11.0
380.11432	100.0
424.10428	8.1
424.21582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
60.01707	1.1
61.98829	100.0
71.01380	1.5
73.02905	0.7
85.02926	0.9
101.02415	4.0
102.50089	0.7
108.65995	0.7
112.50982	0.7
147.04517	5.5
164.07164	20.6
200.25293	0.8
211.29140	0.7
236.09239	1.8
252.43462	0.9
264.11880	1.2
265.11899	2.9
266.12112	2.9
304.92105	0.8
387.41440	0.7
441.74097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58252	0.4
56.03480	0.4
59.01381	13.9
60.01722	2.2
61.01805	2.9
61.98832	100.0
62.11817	0.4
71.01373	2.2
78.51517	0.5
85.02964	0.7
89.02451	2.0
91.02862	0.5
101.02428	4.2
113.02435	0.9
161.04459	0.6
169.29955	0.5
263.11389	1.0
264.11719	2.8
265.11871	5.0
266.12195	6.1
313.98315	0.5
408.49088	0.5
439.76584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44272	6.4
53.88297	5.5
55.49222	4.6
59.01381	100.0
61.98843	50.5
71.01377	24.6
89.02471	6.8
94.40751	5.8
98.66787	5.7
100.89035	6.1
101.87792	5.4
110.49164	6.3
162.57678	5.6
357.05142	6.9
357.34207	6.8
364.12598	22.5
364.20657	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.9
65.80499	1.8
71.01385	12.8
71.53083	1.5
73.02943	2.5
82.02953	1.7
84.04541	22.5
85.02938	2.8
86.02460	2.6
89.02441	21.5
94.02971	1.7
99.04508	3.4
100.22147	1.5
101.02437	8.1
108.04559	1.8
110.06099	8.1
115.05077	1.5
126.05591	8.9
128.02586	3.5
128.03531	100.0
128.07175	18.1
130.08688	3.7
138.05582	1.9
140.07150	2.2
152.03622	1.6
164.03896	2.5
164.07185	2.0
168.40375	1.6
172.06233	14.5
172.07446	1.9
174.07747	1.8
175.25674	1.5
200.05635	3.7
218.06668	42.5
218.10075	2.0
244.08253	9.6
262.09314	27.1
334.11414	35.3
400.00601	1.6
424.14688	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
61.98833	45.3
68.07368	0.5
71.01365	0.8
72.00903	5.5
72.21789	0.5
73.02952	2.7
74.53367	0.6
101.02437	13.8
144.08177	1.1
147.04523	22.4
149.06111	1.1
164.07176	100.0
189.05606	0.7
199.02367	0.6
206.08217	2.5
236.09279	11.7
388.11636	0.7
424.15982	0.8
426.40329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2863
Annotation	Veralodine
Peak:m/z	Relative Intensity
53.18863	0.7
58.02962	4.0
72.00903	6.0
77.27538	1.0
77.75108	0.8
87.16628	1.1
91.05521	15.3
92.23086	1.0
102.64760	0.8
147.04521	33.2
164.07175	67.8
206.69931	1.0
280.59473	1.0
424.28641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89240	0.9
57.07676	0.8
59.01371	2.2
71.01403	1.5
77.12354	0.9
78.95903	1.1
84.93825	1.4
85.02946	1.2
87.74079	1.0
89.02423	1.2
93.45187	0.9
96.96960	2.2
99.92575	30.1
100.93362	26.1
101.59668	1.0
111.72396	1.0
115.08799	1.0
115.91257	1.9
115.92073	58.2
116.92857	23.3
117.03435	1.5
119.05033	4.3
121.02946	5.2
126.94910	2.0
134.03755	18.4
141.93669	1.4
142.94426	5.2
145.02922	15.8
145.04767	1.0
154.94392	1.2
163.04018	4.5
168.95952	4.4
170.93913	13.9
184.95537	1.6
189.97223	1.4
200.96564	1.6
217.96809	8.6
218.97514	4.5
226.96533	27.0
243.96727	1.2
244.97392	1.4
246.97116	1.7
250.96613	2.0
263.14005	2.3
335.16473	1.3
388.99762	5.4
425.01898	100.0
425.14294	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0183
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
50.89240	0.9
57.07676	0.8
59.01371	2.2
71.01403	1.5
77.12354	0.9
78.95903	1.1
84.93825	1.4
85.02946	1.2
87.74079	1.0
89.02423	1.2
93.45187	0.9
96.96960	2.2
99.92575	30.1
100.93362	26.1
101.59668	1.0
111.72396	1.0
115.08799	1.0
115.91257	1.9
115.92073	58.2
116.92857	23.3
117.03435	1.5
119.05033	4.3
121.02946	5.2
126.94910	2.0
134.03755	18.4
141.93669	1.4
142.94426	5.2
145.02922	15.8
145.04767	1.0
154.94392	1.2
163.04018	4.5
168.95952	4.4
170.93913	13.9
184.95537	1.6
189.97223	1.4
200.96564	1.6
217.96809	8.6
218.97514	4.5
226.96533	27.0
243.96727	1.2
244.97392	1.4
246.97116	1.7
250.96613	2.0
263.14005	2.3
335.16473	1.3
388.99762	5.4
425.01898	100.0
425.14294	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31164	0.8
54.56548	0.8
59.01364	1.1
62.80076	0.8
71.05017	7.3
72.99316	1.7
83.05028	9.3
92.23117	1.2
109.02938	4.8
111.04506	23.2
115.04003	100.0
127.04008	30.0
134.03728	16.0
134.12952	1.1
137.02437	5.9
139.68137	1.2
149.06042	1.5
155.03505	27.0
171.02972	1.8
178.02684	2.7
193.05032	18.9
199.02502	14.6
217.03539	39.2
225.99239	1.3
231.05112	34.3
249.06235	4.1
300.27432	1.2
393.08380	23.2
422.38675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34279	0.8
59.01379	12.4
62.62820	1.1
66.84367	1.1
68.81962	1.0
71.01373	7.7
72.99299	16.1
73.02946	5.6
76.25787	1.1
81.03444	6.6
83.01384	5.3
83.05011	2.5
85.02935	1.8
89.02420	4.4
93.03445	1.9
93.88843	1.2
97.02938	7.6
101.02444	2.2
108.02187	1.9
109.02950	16.5
111.04504	20.9
113.02425	2.4
116.75350	1.3
119.04961	1.4
125.06065	2.7
127.04015	8.5
133.02988	9.8
134.03743	33.0
135.04497	5.3
137.02417	6.9
141.05598	9.4
145.02951	1.3
149.06049	1.7
155.03523	14.2
159.02980	2.1
161.02438	87.1
163.04010	2.4
169.05061	4.5
178.02654	1.4
179.10744	1.4
185.02910	1.9
185.04559	46.4
187.06087	5.9
193.05074	11.7
199.02510	9.1
203.05638	5.3
203.10701	1.9
221.11824	8.1
231.05106	100.0
425.14484	75.8
425.20007	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60479	1.8
50.91965	1.5
58.69294	1.6
59.01384	32.0
64.57695	1.6
71.01376	74.9
72.99295	23.1
74.60012	1.8
75.00859	33.8
79.49703	2.1
82.39481	2.0
85.02975	2.3
87.00869	49.3
89.02432	19.1
89.18446	1.9
101.02437	9.8
109.32782	1.7
115.00375	22.4
115.04029	17.7
119.03499	4.3
125.43916	1.9
129.01942	8.1
134.25214	1.9
147.02989	100.0
147.06493	2.0
179.05560	3.2
231.95044	2.3
425.13055	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
59.01381	31.3
61.46736	0.7
64.22301	0.7
64.39665	0.6
70.02086	0.7
71.01374	12.3
72.99329	1.0
73.02938	1.2
75.00867	60.8
83.01393	0.9
85.02932	4.5
88.27382	0.7
89.02433	14.7
97.02934	3.3
99.00850	1.0
101.02441	14.9
113.02443	6.0
113.06077	0.7
115.03997	18.7
119.03488	6.2
129.01953	2.8
147.02979	2.8
161.04558	3.1
182.63333	0.8
192.36215	0.7
217.06297	0.8
293.16077	1.6
311.46268	0.7
365.18320	6.3
379.16083	4.7
380.49530	0.8
425.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1307
Annotation	Mometasone
Peak:m/z	Relative Intensity
55.01870	2.9
59.01381	31.3
61.46736	0.7
64.22301	0.7
64.39665	0.6
70.02086	0.7
71.01374	12.3
72.99329	1.0
73.02938	1.2
75.00867	60.8
83.01393	0.9
85.02932	4.5
88.27382	0.7
89.02433	14.7
97.02934	3.3
99.00850	1.0
101.02441	14.9
113.02443	6.0
113.06077	0.7
115.03997	18.7
119.03488	6.2
129.01953	2.8
147.02979	2.8
161.04558	3.1
182.63333	0.8
192.36215	0.7
217.06297	0.8
293.16077	1.6
311.46268	0.7
365.18320	6.3
379.16083	4.7
380.49530	0.8
425.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91282	0.3
55.93436	0.4
56.84327	0.3
59.01375	4.8
59.96165	0.4
64.00981	0.3
65.99348	0.5
66.27246	0.4
67.01891	3.4
71.01387	3.5
79.18983	0.4
85.02932	0.7
89.02437	9.4
91.05811	0.4
92.46116	0.4
101.02422	3.7
111.00869	100.0
113.02457	2.1
119.03485	3.8
151.06133	4.6
179.05679	1.7
249.71394	0.5
271.61508	0.5
313.11432	20.9
425.13074	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15992	1.7
59.01386	18.6
59.01664	1.7
65.53314	1.6
71.01376	82.4
72.99302	26.5
75.00870	22.9
81.22999	2.0
87.00867	53.0
89.02445	14.5
101.02421	2.9
111.79128	1.9
113.02462	2.5
115.00365	25.0
115.03996	10.4
119.03493	7.9
123.31989	1.8
129.01921	8.8
133.01442	1.9
147.02988	100.0
179.05559	2.2
425.12961	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78366	0.4
55.87276	0.3
58.20553	0.4
59.01385	5.7
70.88977	0.5
71.01376	6.3
73.02951	3.9
75.00878	3.6
75.71984	0.4
78.83514	0.5
85.02907	0.9
87.00868	2.9
87.01432	0.4
89.02441	21.3
97.02964	0.8
99.00843	0.6
101.02450	3.1
103.04007	5.4
113.02438	2.2
115.04008	0.8
119.03477	0.9
128.00652	0.4
128.03552	1.8
129.01906	1.0
131.03479	2.7
132.94356	0.4
134.40158	0.4
146.38074	0.4
147.03001	2.8
147.06639	2.1
148.69702	0.5
149.04553	100.0
214.73434	0.5
300.46194	0.6
425.12964	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18827	0.8
50.46741	0.7
50.91832	0.8
53.31717	0.7
53.31953	0.9
57.65115	0.7
59.01390	0.8
70.51492	0.8
71.01392	1.0
72.00912	8.8
92.23101	0.9
100.00400	100.0
100.04032	7.9
104.81886	0.9
108.12256	0.8
125.95640	0.9
144.03021	81.0
160.72379	0.9
160.94061	0.8
161.02464	4.7
215.23352	0.9
425.14551	7.0
425.19986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29105	0.8
59.01382	7.5
61.98834	13.0
71.01385	1.6
72.00907	11.6
75.00850	1.6
89.02430	1.0
90.01009	0.9
93.89045	1.0
100.00406	100.0
100.04031	7.4
100.25930	0.9
101.02438	2.2
102.98644	1.6
111.04497	1.3
113.02453	1.4
119.34391	0.9
127.04018	1.3
144.03026	71.7
145.02921	1.2
146.08231	1.2
173.04501	1.9
191.05632	1.3
377.37750	1.2
425.14017	6.4
425.20337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77184	0.4
53.48827	0.4
59.01379	1.7
66.66953	0.5
71.01369	0.9
72.00905	8.5
74.89422	0.4
77.40874	0.4
80.46716	0.4
83.91976	0.4
87.41249	0.4
88.98792	0.6
89.02454	1.0
92.24979	0.4
100.00404	100.0
100.04028	6.0
101.02439	1.9
109.18618	0.5
113.02471	0.8
144.03026	73.2
145.02916	0.7
148.06354	0.7
164.07191	0.8
238.41678	0.5
279.43948	0.4
425.14105	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95001	0.6
57.97218	0.6
58.99588	0.7
59.01378	9.9
61.98826	9.7
66.95175	0.7
71.01388	3.5
72.00916	10.3
73.31087	0.7
75.00864	1.5
81.36967	0.8
82.56370	0.7
83.05045	0.9
84.39120	0.7
85.02942	1.5
87.00861	0.9
89.02435	4.5
97.56490	0.7
100.00407	100.0
100.04050	5.5
101.02442	4.6
102.98618	5.7
113.02431	1.7
141.77541	1.0
144.03026	72.3
145.02939	3.3
146.08232	4.5
151.69171	0.7
161.02458	1.9
163.04018	1.1
173.04523	1.5
214.39711	0.9
223.58498	0.9
263.11203	1.1
263.13983	1.5
277.12320	1.8
335.15942	0.8
352.15717	0.8
365.18115	3.2
399.10318	1.0
425.14496	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1462
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
51.13112	0.3
52.77461	0.4
56.82129	0.3
57.44712	0.3
59.01387	1.6
64.45145	0.4
70.17989	0.4
71.01376	2.5
73.02939	1.8
81.60381	0.4
85.02947	0.9
85.26765	0.3
86.87933	0.4
96.75735	0.3
99.00833	0.4
101.02438	2.6
111.04504	0.8
113.02454	0.9
117.03464	0.5
120.53307	0.4
125.02459	0.4
127.04014	1.6
129.04382	0.4
133.02959	7.3
134.03729	1.4
135.04530	5.7
137.02457	0.5
155.03531	0.5
161.02446	100.0
178.02692	0.6
179.03516	5.8
425.14603	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01381	23.0
71.01378	9.9
72.99341	0.9
73.46884	0.7
75.00894	0.7
83.01380	1.0
85.00684	0.7
85.02946	1.9
89.02435	10.0
90.97826	0.8
101.02434	5.6
113.02409	5.6
114.19701	0.9
117.03477	1.2
119.05014	7.8
121.02970	0.9
133.02965	6.9
134.03700	5.1
135.04532	20.5
137.02423	1.2
145.02957	9.3
161.02434	74.2
163.04033	11.1
165.05582	16.1
177.05481	0.9
178.02820	1.1
179.03508	15.6
205.04991	1.0
227.78474	0.9
242.78955	0.9
247.09811	1.0
327.10635	1.5
345.28024	0.9
425.14551	100.0
439.97507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1457
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
51.39474	0.3
55.14812	0.4
59.01390	1.4
63.80968	0.3
64.87368	0.3
65.19239	0.3
67.59607	0.4
71.01373	2.3
73.02940	0.9
78.91662	0.4
79.42080	0.4
81.81630	0.4
83.31442	0.4
83.56581	0.3
85.02962	1.0
86.25793	0.3
101.02454	3.8
106.18656	0.4
106.90309	0.5
113.02442	1.8
119.05016	0.7
133.02959	9.3
134.03714	0.6
135.04521	6.2
145.02950	3.7
161.02441	100.0
163.03969	2.1
179.03519	4.4
202.56886	0.4
214.56079	0.4
243.66862	0.5
323.20963	0.4
425.14606	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
63.95013	0.4
71.01373	2.1
73.02938	0.5
77.37462	0.4
85.02940	0.9
99.04527	2.0
101.02415	1.2
113.02448	0.8
113.77341	0.5
117.03458	3.4
118.04212	1.1
119.05016	79.3
121.02873	0.8
125.02181	0.5
133.02878	0.5
135.04510	0.5
140.11679	0.6
145.02951	43.8
161.02434	4.0
163.04008	100.0
165.01843	0.8
165.03975	0.7
179.03476	0.9
240.37729	0.6
366.44812	0.6
425.14606	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1461
Annotation	Bruceine H
Peak:m/z	Relative Intensity
59.01382	2.8
60.19122	0.6
71.01378	3.2
73.02924	0.8
84.29124	0.7
85.02946	1.0
99.04483	1.3
101.02445	3.5
112.78874	0.6
113.02444	1.4
117.03471	5.6
119.05018	71.6
121.48618	0.7
133.02946	0.9
135.04477	1.0
135.16081	0.7
145.02954	66.7
161.02437	23.2
163.04012	91.7
186.16249	0.7
226.33304	0.8
256.95370	0.8
425.14612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85470	0.5
59.01384	16.2
61.18020	0.6
62.14194	0.5
71.01381	6.5
73.17640	0.6
79.32890	0.5
80.35928	0.5
83.01388	0.7
85.02934	1.1
87.00868	0.7
88.40210	0.5
89.02451	6.6
91.82623	0.5
95.01400	0.7
101.02436	6.9
113.02440	3.7
119.03492	1.1
133.02928	8.5
134.03740	29.1
135.04517	4.0
135.71078	0.7
137.02437	8.2
139.04012	3.0
150.03249	0.7
161.02440	87.2
178.02711	4.9
179.03514	2.5
201.09204	1.1
231.05124	0.7
263.09241	1.3
335.37482	0.6
418.62198	0.7
425.14612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.146
Annotation	Bruceine H
Peak:m/z	Relative Intensity
56.92494	0.9
59.01111	1.5
59.01388	27.9
71.01367	10.7
71.05019	1.1
74.72390	1.1
85.02945	7.0
85.17288	1.1
89.02434	12.1
97.02968	12.3
101.02445	10.9
113.02439	2.4
115.04004	40.0
119.03497	2.0
119.05003	1.9
144.83780	1.3
147.04520	85.3
161.06044	1.2
165.05548	14.9
240.63072	1.1
320.29361	1.2
327.10855	28.4
371.07159	1.2
425.14590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1461
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
58.08067	0.5
59.01387	3.5
60.14165	0.5
71.01378	2.2
73.02945	0.9
75.00860	1.0
76.83144	0.4
83.01398	0.5
85.02903	0.5
89.02434	2.4
92.23154	0.5
98.54121	0.6
101.02446	2.8
113.02457	2.1
117.03452	0.9
119.03470	0.8
125.06135	0.7
133.02951	9.6
134.03699	1.0
135.04535	8.2
145.02950	2.8
151.07649	1.2
152.08418	1.0
153.09232	1.1
161.02443	100.0
163.03972	0.6
179.03513	6.7
201.12949	0.8
204.11591	1.2
214.61195	0.5
219.13831	2.1
263.12906	6.0
398.65631	0.6
425.14590	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28444	0.8
57.02628	0.9
57.07312	0.9
58.66422	0.9
59.01383	7.9
71.01379	4.6
73.02944	1.1
79.95734	1.4
81.73902	1.0
89.02444	6.0
101.02438	1.6
113.02430	2.6
117.03468	2.8
119.05029	16.9
133.06573	4.6
145.02957	100.0
152.90555	1.1
161.02458	1.9
161.06079	24.5
163.04010	43.4
177.05602	11.8
185.04575	1.6
187.04010	1.2
205.05070	24.1
231.05112	2.5
235.06128	5.3
263.09494	1.5
265.07181	10.0
279.10977	1.8
425.08749	2.5
425.14548	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79573	0.8
59.01380	11.9
59.74367	0.8
61.11551	0.9
71.01368	4.3
72.99290	1.9
73.02938	1.2
80.28865	1.0
83.05006	1.4
85.02914	1.4
89.02424	6.6
93.03420	1.0
97.02945	1.0
101.02411	5.3
107.23154	1.0
109.02921	1.3
111.04520	7.5
113.02399	2.4
115.04025	1.9
117.03419	4.9
119.03518	1.4
119.05025	19.9
127.03954	4.8
129.18066	1.0
130.78236	1.1
133.06493	1.9
134.03732	8.0
145.02953	100.0
155.03473	4.2
157.06418	1.1
161.02455	10.3
161.06078	23.4
163.04010	47.1
164.80304	1.0
168.70860	1.1
177.05588	12.3
185.04546	6.8
193.05008	4.8
199.02426	2.4
205.05070	31.1
217.03500	1.3
231.05138	20.9
235.06183	7.9
249.06100	5.7
252.09799	1.1
265.07233	12.5
279.10779	1.9
295.01410	1.1
313.00296	1.1
393.07831	1.4
418.07446	1.1
425.14490	89.1
447.78726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	3.7
59.01384	65.0
71.01376	47.2
73.02944	12.5
75.00874	16.2
83.01376	3.2
84.41345	2.2
85.02943	17.9
89.02443	46.0
95.01398	2.6
99.00872	11.2
101.02429	42.0
113.02418	25.4
119.03489	16.1
131.03497	2.8
146.08224	5.0
161.02457	5.4
161.04547	14.8
164.07150	2.3
165.03636	2.3
179.05646	3.5
192.46959	2.2
263.11414	22.2
309.11151	4.4
379.16263	31.5
398.27762	2.9
425.17081	100.0
429.42233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
56.61888	0.9
57.03476	0.8
57.77967	0.9
59.01384	42.7
63.80501	1.0
71.01378	33.7
73.02940	8.2
83.01387	5.8
85.02946	15.0
87.00851	1.6
89.02443	26.4
95.01384	1.4
99.00893	2.0
101.02444	39.6
113.02449	25.4
119.03484	10.5
143.03453	1.3
146.08278	1.7
159.02994	1.5
161.02502	8.6
161.04565	9.6
164.70673	1.3
179.05704	1.5
190.34009	1.1
204.09698	1.1
204.89264	1.0
263.11365	20.7
310.48001	1.1
425.16769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94933	1.0
54.71323	1.0
55.01885	1.3
56.37033	1.1
59.01381	45.8
69.57171	1.0
70.15190	1.1
71.01382	32.5
71.01736	2.1
73.02945	7.3
83.01387	4.5
85.02953	15.5
87.00913	1.7
89.02438	27.0
95.01389	1.8
99.00898	2.7
101.02440	33.6
113.02432	25.2
115.47612	1.3
119.03477	13.1
119.58870	1.2
143.03532	2.6
159.03123	1.5
161.04523	8.5
161.72572	1.3
179.05632	2.8
242.18173	1.1
263.11319	16.0
310.56357	1.2
323.09595	1.4
372.21344	1.4
425.16727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08145	0.8
51.08817	0.8
55.01891	1.2
59.01104	1.6
59.01382	35.1
59.22169	0.7
68.77922	0.8
71.01379	22.8
71.01768	0.9
71.98681	0.7
73.02953	6.9
82.58498	0.7
83.01385	4.8
85.02939	11.5
87.00858	1.5
89.02435	26.5
95.01389	1.3
98.52289	0.9
99.00894	1.6
101.02439	37.4
107.92358	0.8
113.02439	20.7
119.03508	8.6
125.02453	0.9
143.03450	1.0
161.04526	9.4
179.05591	2.1
263.11368	20.8
310.69159	1.0
425.16705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
59.01382	50.8
70.94047	1.0
71.01381	49.8
71.14984	1.1
73.02947	19.9
75.09756	1.1
83.01380	7.0
85.02953	21.8
87.00862	5.2
89.02435	33.2
95.01398	2.9
97.02934	2.9
99.00873	5.3
101.02441	50.7
101.06076	2.4
111.00829	1.7
112.13692	1.4
113.02430	25.3
119.03496	14.3
125.02415	5.6
143.03485	5.8
156.91284	1.1
159.03018	2.7
161.04579	17.3
162.19223	1.2
172.18874	1.1
179.05620	7.4
188.66452	1.4
202.57727	1.1
263.08511	2.0
263.11334	22.4
267.11014	1.5
272.32214	1.3
406.09171	1.2
425.16769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67707	0.8
59.01385	28.4
71.01369	25.1
71.01723	1.2
72.94698	0.9
73.02941	5.0
83.01402	1.2
85.02958	4.4
89.02441	33.6
89.02961	2.0
94.41605	1.0
95.45125	0.9
98.04561	1.0
99.00874	5.2
101.02440	24.5
107.06744	0.9
111.34106	0.9
113.02430	14.8
115.68270	0.9
119.03493	13.8
119.07159	1.9
143.03552	1.1
161.04559	8.7
179.05611	4.8
207.03229	1.1
281.12442	100.0
365.18115	4.4
425.16602	17.4
425.20850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23344	0.9
54.08408	0.9
57.03441	1.2
59.01105	2.1
59.01384	50.0
68.04821	1.2
71.01383	34.5
73.02943	6.2
78.54106	1.1
83.01382	2.1
85.02967	16.6
87.00865	2.3
89.02438	32.4
91.28054	1.4
92.22493	1.9
95.01360	2.1
97.72106	1.2
99.00832	1.5
101.02438	35.5
104.78077	1.3
113.02437	27.5
114.79243	1.2
119.03503	10.4
137.02467	2.3
139.85585	1.1
161.04543	6.9
165.01996	1.7
176.02438	1.2
179.05659	6.2
263.11484	16.6
320.48419	1.4
365.21649	4.5
425.16714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75846	1.0
59.01370	6.7
59.47030	1.0
61.98828	5.8
70.85657	1.0
71.01381	13.4
85.02913	1.1
94.98093	8.3
97.62405	1.0
98.16872	1.1
108.97187	1.2
109.03224	1.2
115.00346	12.7
115.04005	1.5
116.92816	1.3
119.05019	1.2
121.29687	1.2
121.84500	1.1
123.89095	1.1
169.55167	1.2
171.10243	6.9
177.16478	1.5
203.14398	2.1
221.15486	63.1
221.30730	1.3
265.14392	5.0
265.18137	1.6
276.54422	1.3
279.99805	1.4
309.13474	100.0
309.20825	2.4
327.21912	6.7
425.21701	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1823
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
59.01383	8.5
71.01382	3.0
72.02982	1.5
79.78192	1.3
85.02936	1.5
89.02400	1.8
97.02941	2.2
101.02413	6.4
105.07062	1.9
108.05816	2.9
111.04489	3.4
113.02416	3.0
113.06070	1.8
123.08177	2.9
125.06096	14.6
133.02931	8.7
135.04532	6.1
136.05382	2.7
138.06854	3.5
139.07660	13.9
140.11031	1.5
148.05339	1.7
151.07631	28.9
152.04811	2.5
152.08463	12.4
153.09186	20.2
161.02444	100.0
161.09705	1.9
163.07634	6.2
167.07210	1.9
179.03502	3.6
196.86354	1.6
201.12849	21.0
203.10907	3.3
204.11563	25.6
211.56557	1.5
219.13907	40.6
243.13806	2.0
245.11877	8.5
263.12915	90.1
287.12906	2.2
305.13950	6.1
425.14569	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88775	0.5
57.03451	5.0
59.01381	2.7
59.41705	0.4
66.08493	0.4
71.01373	2.3
73.02936	0.8
83.05012	0.9
85.02949	0.6
87.88969	0.5
89.02406	0.6
93.27929	0.5
96.95993	3.0
97.02938	0.7
97.06583	1.0
101.02438	1.2
110.04480	0.5
113.02410	1.2
118.52470	0.7
123.08137	2.7
149.09680	7.0
151.07611	2.0
151.11255	2.6
153.91800	0.6
159.11795	3.9
161.04707	0.6
161.09738	1.1
164.08443	0.7
164.43625	0.5
174.63541	0.5
175.11243	0.8
176.08447	1.0
177.12886	3.8
185.54047	0.5
189.12856	1.2
191.14398	3.5
194.09531	1.0
201.12880	14.6
202.09998	3.0
203.10774	2.3
204.11565	5.0
210.51579	0.5
217.12323	0.6
219.13902	100.0
245.11951	0.9
254.23952	0.6
263.08932	0.6
263.12738	0.6
265.14566	0.9
310.47113	0.7
381.19141	1.1
425.13443	1.4
425.18393	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1824
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
51.88775	0.5
57.03451	5.0
59.01381	2.7
59.41705	0.4
66.08493	0.4
71.01373	2.3
73.02936	0.8
83.05012	0.9
85.02949	0.6
87.88969	0.5
89.02406	0.6
93.27929	0.5
96.95993	3.0
97.02938	0.7
97.06583	1.0
101.02438	1.2
110.04480	0.5
113.02410	1.2
118.52470	0.7
123.08137	2.7
149.09680	7.0
151.07611	2.0
151.11255	2.6
153.91800	0.6
159.11795	3.9
161.04707	0.6
161.09738	1.1
164.08443	0.7
164.43625	0.5
174.63541	0.5
175.11243	0.8
176.08447	1.0
177.12886	3.8
185.54047	0.5
189.12856	1.2
191.14398	3.5
194.09531	1.0
201.12880	14.6
202.09998	3.0
203.10774	2.3
204.11565	5.0
210.51579	0.5
217.12323	0.6
219.13902	100.0
245.11951	0.9
254.23952	0.6
263.08932	0.6
263.12738	0.6
265.14566	0.9
310.47113	0.7
381.19141	1.1
425.13443	1.4
425.18393	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
53.50793	9.1
59.01371	22.7
66.13755	9.7
68.73190	10.0
71.01377	54.0
75.00875	20.3
88.77782	9.7
88.98782	16.5
97.02952	12.4
147.90833	12.3
148.65787	12.2
150.57959	11.5
348.43478	10.9
425.14682	23.9
425.19638	100.0
439.64481	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
79.01099	0.4
79.08324	0.4
80.96514	100.0
96.95995	0.4
101.02494	0.4
121.53361	0.5
127.62578	0.5
142.83667	0.4
155.03648	0.4
241.72552	0.4
327.08893	0.9
425.20145	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72953	1.1
55.01888	1.6
59.01384	45.5
65.35451	0.9
68.98564	1.2
71.01379	38.0
73.02944	23.0
75.00854	12.1
83.01389	5.4
85.02944	22.4
89.02428	21.3
95.01398	2.3
99.00887	10.8
101.02441	54.5
101.03081	2.0
113.02445	24.7
115.04001	1.6
119.03522	5.6
129.01926	2.9
131.03554	2.3
143.03477	1.5
146.08232	10.7
159.03024	5.2
160.42445	1.3
161.04579	13.7
177.76924	1.2
217.11948	2.4
263.11475	1.9
293.16089	27.4
309.11340	5.0
356.90695	1.3
365.18411	7.5
375.94550	1.4
379.16318	6.2
425.13300	8.2
425.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85881	1.1
58.02974	2.1
58.93714	1.0
61.98781	1.3
65.98425	1.1
70.02975	11.8
87.05621	1.4
88.08535	1.2
96.00905	20.7
96.03057	1.2
99.08125	1.5
113.03551	7.8
114.01958	21.7
131.04619	18.5
147.42101	1.3
148.95781	1.5
167.14352	2.5
188.63573	1.4
193.15993	5.7
207.17635	1.6
223.04608	1.3
248.20230	3.0
249.18546	8.4
266.21268	30.2
275.16641	1.4
292.19208	28.6
310.20139	10.3
344.24362	1.5
363.22995	8.0
389.21033	3.1
407.21808	10.8
425.22958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2341
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
68.28359	0.6
95.43696	0.7
111.63697	0.7
191.03586	5.2
202.86897	0.8
219.02997	100.0
261.46811	0.7
288.09662	0.8
425.23270	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37239	0.8
55.01882	18.8
59.01363	1.7
71.01363	1.8
75.00871	8.4
84.28091	0.9
84.31606	0.8
85.02941	3.7
89.02419	0.9
89.32449	0.8
99.00877	1.3
101.02446	0.9
117.01913	1.1
129.01944	25.7
140.46446	0.8
147.02982	18.1
165.04034	0.9
185.78009	0.8
277.21753	100.0
387.72311	1.0
425.25507	55.6
437.00272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2551
Annotation	Pierisformosin B
Peak:m/z	Relative Intensity
57.03447	3.3
59.01380	3.3
65.83808	1.2
72.99277	2.9
75.00874	17.8
85.02941	3.2
99.00866	7.9
111.93988	1.6
127.17162	1.6
129.01918	6.6
129.47899	1.4
134.74745	1.7
147.02980	15.8
194.52673	1.4
277.21738	100.0
425.25497	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52802	0.3
61.98822	2.0
71.06012	0.4
79.95747	2.0
90.25555	0.4
94.98127	0.5
96.96004	42.0
100.43664	0.4
101.02436	0.3
108.04513	0.5
122.97588	3.2
151.49745	0.4
153.27548	0.4
230.75342	0.6
277.21945	0.4
279.23343	0.5
323.17343	0.4
359.41281	0.4
425.25833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67043	0.4
61.98830	7.9
79.95741	1.4
85.47311	0.6
95.76691	0.5
96.96005	35.2
122.97572	3.4
152.99557	0.6
175.32057	0.5
243.10535	0.5
299.16565	2.3
425.25861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19585	0.4
55.49766	0.4
61.38236	0.4
61.98562	0.7
61.98835	10.8
63.08373	0.5
65.88063	0.5
69.64258	0.5
70.95172	0.4
78.95883	0.7
79.95734	2.5
96.95375	1.3
96.96006	35.7
105.81063	0.5
122.97572	3.8
124.54974	0.5
143.23567	0.5
152.99617	1.1
155.78917	0.5
159.04332	0.7
166.43764	0.5
175.04010	1.1
176.04733	1.1
177.05516	1.1
180.27890	0.5
227.07108	0.7
265.12500	0.6
280.14395	0.6
299.16446	4.3
349.21759	2.8
425.25870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19441	0.5
61.98830	100.0
74.40550	0.7
76.86667	0.5
79.74939	0.6
82.35631	0.6
86.85574	0.5
95.34072	0.6
96.95987	6.0
111.63233	0.6
237.32736	0.7
425.25845	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
115.92030	0.5
129.68019	0.4
134.03723	0.5
135.04520	4.0
149.02367	0.4
159.04433	0.5
162.03223	2.2
163.04010	12.4
164.04836	3.6
174.03233	0.8
174.06879	1.0
175.04022	6.3
177.05562	0.5
187.03989	2.1
188.08420	2.9
189.05595	0.7
189.09241	8.3
192.31549	0.5
200.08495	0.7
201.05600	2.6
202.06424	1.0
203.07141	3.8
204.07935	1.1
213.61995	0.5
215.07167	1.8
216.07939	2.8
217.08710	58.0
229.08676	1.9
229.12575	0.6
243.10211	1.0
257.11868	8.9
258.16110	1.0
270.12665	0.7
285.14978	2.3
286.15723	8.0
287.12866	0.7
288.13834	0.6
297.14844	0.8
298.15805	1.8
302.15164	5.7
303.16113	3.5
326.18668	0.9
331.93817	0.6
356.20020	1.0
367.22931	1.2
373.81726	0.5
425.27036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21172	0.9
51.78361	0.8
55.15031	1.0
65.27823	1.0
70.25859	1.0
92.23111	1.3
94.41783	1.1
135.04512	1.8
135.74113	1.0
139.90941	1.3
147.04495	2.4
147.21541	1.1
148.45740	1.2
152.99617	2.0
163.04034	1.9
164.04781	2.0
173.02347	1.4
175.04056	8.5
176.04814	4.7
187.04015	7.1
188.04831	1.9
199.01752	1.2
201.05540	1.9
215.07202	2.0
216.08156	1.4
217.08640	1.7
220.07347	1.6
229.08702	5.2
230.09482	2.0
274.15918	1.4
285.15033	1.9
286.15768	1.6
299.16562	1.8
301.14294	1.5
302.15253	15.7
303.16125	8.4
341.17252	1.2
356.19980	2.1
425.27036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08615	0.6
68.22247	0.6
77.25478	0.6
83.67027	0.8
88.20773	0.6
94.73206	0.7
117.00800	0.7
120.18797	0.7
121.02924	1.7
124.28757	0.7
130.15366	0.7
135.04524	3.4
147.04504	0.8
163.04074	5.1
164.04861	1.0
174.03265	0.9
175.04041	2.7
187.04027	1.1
188.08458	1.5
189.09216	3.5
201.05489	0.9
202.06555	1.0
203.07100	1.5
214.25742	0.9
216.07948	2.9
217.08716	93.3
224.76393	0.7
225.98645	0.7
257.11838	3.6
257.15729	1.0
286.15768	12.1
297.15045	1.0
298.15796	1.2
302.15463	1.0
318.92264	0.8
323.12973	0.8
367.22949	4.8
407.20236	0.8
425.27084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03868	2.0
58.88729	1.9
59.90083	2.0
64.23290	1.8
65.31965	2.2
66.76413	1.9
71.93638	2.1
129.01949	5.2
133.54260	2.1
147.02992	3.1
150.68562	2.4
163.04022	3.0
175.04138	2.4
191.07159	13.9
195.49771	2.2
216.07710	3.5
217.08667	31.9
219.06612	20.0
243.13921	9.5
251.15790	2.1
252.18050	2.3
255.10155	2.9
271.13187	3.6
277.21744	21.7
279.23260	13.8
286.15582	4.9
287.16476	9.3
288.13843	3.1
355.22836	5.1
425.26996	100.0
425.32458	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2704
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
56.54008	1.6
62.23339	1.8
103.71037	1.9
135.04518	24.3
145.02808	2.0
146.03735	9.1
147.04480	2.5
159.04549	4.2
165.71126	1.8
172.19344	2.3
173.06053	2.5
176.08461	2.0
188.08409	16.6
189.09256	15.9
242.13132	3.1
244.14574	3.0
258.16183	4.3
259.17117	3.3
270.16302	4.1
287.12823	4.7
312.20941	7.9
322.50604	2.2
381.27872	8.0
385.59439	3.2
425.27039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2705
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.88401	4.6
59.58327	4.9
61.76281	5.3
134.10365	5.2
145.16917	5.8
159.04453	8.9
173.06046	9.9
174.06866	29.9
175.07658	12.7
191.07167	37.3
191.52673	5.8
201.05653	9.7
217.08728	34.0
219.06635	59.8
243.13962	41.1
271.51871	5.6
277.49478	6.9
279.27057	7.4
321.08386	6.1
337.17941	8.0
338.18890	22.7
363.26651	6.6
407.26160	8.9
425.27029	100.0
425.32785	9.8
437.62244	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2703
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
52.33020	2.3
58.42806	2.2
60.06374	2.0
61.50024	2.0
62.57944	2.0
66.77869	2.0
71.02065	2.2
88.99316	2.8
146.03723	2.6
163.04063	5.7
165.74779	2.7
174.03271	5.0
188.08398	4.7
201.05588	3.9
216.07916	64.9
285.14935	13.4
286.15695	5.3
287.16574	16.4
337.86279	2.8
354.89255	2.7
425.27017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2706
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
59.58696	0.6
59.75103	0.6
83.17160	0.6
96.39038	0.6
101.26624	0.6
102.04729	0.7
110.15017	0.9
112.98022	0.7
121.02898	0.9
134.03726	1.2
135.04521	20.7
136.05316	0.9
139.88901	0.6
145.02953	3.2
146.03728	8.9
147.04524	3.6
148.05283	1.6
159.04501	4.1
160.05257	1.2
161.06017	0.7
172.05197	0.9
173.06041	2.9
174.06873	3.6
175.07570	2.9
181.97311	0.7
187.07567	2.9
188.08440	11.2
189.09230	15.0
201.09082	1.0
202.10046	1.2
219.06485	0.8
232.07420	0.8
242.13156	6.9
243.13573	1.2
244.14648	5.0
257.15466	5.3
258.16296	7.0
259.17059	4.2
270.16293	4.6
272.17889	1.0
287.12921	7.6
298.53128	0.7
311.20215	0.9
312.21042	7.2
356.19873	1.5
376.44604	0.6
381.28073	6.8
407.26007	0.9
425.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2705
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
55.75425	0.5
61.37232	0.6
62.71334	0.7
72.81876	0.6
73.88274	0.6
74.41866	0.6
113.07442	0.7
116.92811	0.8
121.39610	0.6
131.07631	0.6
132.02599	0.7
134.03726	0.9
135.04515	1.5
145.02922	1.1
147.04523	3.1
148.05281	1.0
149.06071	0.8
159.04518	0.9
168.03928	0.7
175.03998	7.5
176.04895	1.0
187.03951	3.4
187.07825	1.1
188.08531	0.9
202.10031	0.9
216.07864	1.2
217.08586	1.0
229.08688	3.7
230.09433	3.5
242.13179	0.8
260.14166	0.9
271.17017	1.2
274.15759	1.6
286.15726	4.0
287.16647	1.2
299.16562	3.9
302.15274	10.3
334.14310	1.0
356.19913	1.5
358.54904	0.7
397.27347	1.3
425.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10733	1.5
59.01380	2.7
60.03959	1.4
61.73335	1.7
69.03452	2.2
71.01383	2.1
72.93326	1.8
73.02955	3.8
74.02465	15.4
81.03451	9.3
83.05019	23.4
93.02863	4.5
93.03449	100.0
109.02947	3.2
111.04511	58.3
127.43238	2.2
137.02448	78.0
143.11902	24.0
155.02350	3.9
155.03513	66.4
173.04576	8.6
255.23337	10.9
267.27051	11.5
269.24887	61.1
279.23264	3.2
297.24329	12.1
308.54782	2.2
369.32394	1.8
381.33920	17.0
396.46506	2.1
425.29095	85.6
425.33463	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71107	0.5
59.01371	3.3
59.46069	0.5
61.98834	1.1
66.29483	0.6
68.74002	0.5
71.01382	0.9
83.05008	0.7
109.66580	0.6
115.03963	0.8
131.53886	0.6
135.66646	0.8
171.10400	0.9
174.78438	0.6
183.13910	16.0
183.15469	1.2
193.12341	0.9
195.13910	39.0
209.11771	0.7
211.13409	52.3
213.14987	14.9
223.13454	0.9
225.14961	1.1
251.16658	0.9
293.21341	1.4
301.80923	0.8
309.20862	0.7
315.26990	6.0
327.21759	9.8
341.24881	1.0
353.19061	1.6
359.25864	6.8
364.91046	0.7
377.26965	5.9
395.27963	0.7
425.29233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05011	0.6
59.01380	3.4
60.57523	0.8
61.98818	1.2
62.33911	0.7
71.01385	1.2
72.99322	0.9
76.80590	0.7
96.96022	4.3
97.43707	0.7
100.01132	0.7
111.08175	1.2
115.03967	1.0
123.08160	0.7
138.39931	0.8
160.44958	0.8
171.07910	0.9
171.10298	1.8
183.13925	16.2
193.12407	1.0
195.13922	39.3
197.11914	3.5
209.15474	1.5
211.13408	54.8
211.15367	1.9
213.14954	14.8
223.13480	1.3
225.15001	1.2
251.16559	1.2
293.21146	2.0
309.20786	8.0
311.22391	1.0
315.27048	5.2
327.21887	10.5
327.27194	1.1
333.28009	1.0
353.19168	5.0
359.26099	5.2
377.26782	6.7
425.23016	3.7
425.29251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43891	0.7
56.73623	0.7
58.02973	0.8
59.01383	100.0
68.79414	0.7
73.48614	0.7
75.47320	0.9
93.90952	0.8
99.71547	0.8
100.69501	0.8
110.89540	0.8
152.99515	3.1
174.99103	0.9
194.15424	1.2
212.16663	3.8
301.01559	0.9
339.75122	1.0
347.26920	1.6
365.28125	35.3
425.22653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98822	3.9
62.17756	1.3
64.26637	1.4
65.71068	1.5
71.01347	5.9
78.95893	19.9
82.92485	1.6
85.84727	1.8
94.98090	1.9
96.96965	1.6
98.03038	1.6
109.79018	1.6
115.00359	3.8
115.94382	1.7
121.44722	1.7
152.99586	53.2
187.49437	1.6
209.11778	1.8
273.49811	1.6
309.20657	6.8
365.28085	37.0
389.61575	2.0
425.22687	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68208	1.6
57.03445	1.8
77.09412	1.6
111.08170	2.3
113.06087	10.2
133.26660	1.7
135.20546	1.9
136.47017	2.0
139.03998	9.1
179.67322	2.2
221.31325	2.4
227.01205	1.9
235.58281	1.9
267.26840	16.9
321.31662	8.1
381.33871	23.5
425.32776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
71.05041	1.3
84.49177	1.3
87.00861	1.8
88.82275	1.4
90.43133	1.3
108.08015	1.3
111.08154	2.7
113.06069	6.5
139.04033	7.6
144.99628	1.4
162.22028	1.4
177.89969	1.4
236.30750	1.4
253.87134	1.4
267.26871	13.6
321.31689	2.8
335.33075	2.3
348.44165	1.5
381.33762	37.2
389.56845	1.8
425.32779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06388	0.5
55.90889	0.5
57.03444	2.5
73.59724	0.6
76.83154	0.6
81.13905	0.6
95.05008	0.7
111.08144	2.7
113.06076	10.6
114.32643	0.6
131.19719	0.6
139.04001	8.2
165.79050	0.6
267.26950	19.1
321.31778	6.3
335.33078	1.0
350.66141	0.7
381.33786	34.4
385.48248	0.7
425.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49096	2.9
72.65359	2.9
75.32780	2.6
93.03468	3.4
95.05030	4.3
111.08159	4.4
113.06089	22.0
128.25352	3.3
139.04004	71.3
145.39240	3.7
155.03436	4.5
168.58838	3.2
176.78470	3.2
187.45226	2.8
211.59171	2.7
267.26935	27.2
336.98880	3.6
343.28796	4.7
354.46414	3.2
381.33774	19.9
425.32913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
93.03458	1.5
111.04504	1.5
111.08182	6.9
125.06146	1.7
137.02527	2.1
155.03557	2.1
178.94974	1.9
181.40977	1.7
212.32503	1.7
251.23840	2.2
255.23381	2.9
267.26959	39.1
277.21576	1.9
279.23618	1.8
279.64630	1.7
321.31628	10.6
381.33786	39.9
425.32996	100.0
430.60666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45783	1.6
61.61166	1.8
96.23346	2.1
113.06083	61.1
139.03946	2.2
139.59000	2.2
195.32664	2.5
267.26959	21.3
321.31882	3.4
381.33975	16.9
425.32858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82043	0.7
59.19448	0.6
59.57767	0.6
62.78447	0.7
100.54150	0.7
101.85577	0.7
130.42258	0.8
141.12851	4.7
142.48761	0.8
153.12791	1.1
155.14417	1.4
225.22346	1.0
237.22240	11.6
251.23831	1.4
253.21803	10.1
265.21643	0.8
337.87885	1.0
341.39890	0.8
361.34842	9.6
377.34058	2.8
379.35834	3.6
415.84192	1.0
425.26904	4.8
425.36450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.023
Annotation	Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt
Peak:m/z	Relative Intensity
64.62958	0.8
72.99271	1.0
77.37589	0.7
78.95901	100.0
89.40436	0.7
96.96946	3.3
134.03746	1.5
134.04729	37.1
148.71902	0.7
151.22160	0.9
158.92543	55.3
210.99977	1.2
223.02841	1.1
272.95587	5.2
328.04538	8.1
346.05487	1.6
408.01239	3.6
426.02292	73.5
426.14969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
67.01878	4.1
69.66016	0.4
71.01378	2.3
73.02939	0.7
85.02943	0.8
101.02428	1.6
111.00867	100.0
113.02460	0.8
125.85867	0.4
131.27113	0.4
151.02734	0.5
160.67905	0.4
161.04544	0.8
197.48814	0.3
213.31300	0.4
243.67455	0.3
244.58742	0.5
256.26581	0.4
308.05652	0.6
314.08817	0.8
323.07983	0.8
338.10345	2.3
426.11029	1.6
442.48975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79121	0.4
59.01370	0.5
62.14451	0.4
62.82414	0.4
69.97359	0.4
70.42828	0.4
71.01381	3.2
77.91978	0.4
84.01759	0.5
85.02956	2.4
87.31039	0.4
101.02500	0.6
111.04482	0.5
113.02425	1.9
117.03458	9.1
119.05032	6.8
127.04008	0.6
145.02951	100.0
159.04474	0.9
161.02458	1.0
161.06078	0.9
162.02780	1.8
163.04013	10.5
187.04080	3.3
231.05037	0.8
232.05467	0.8
344.78232	0.5
356.04211	0.5
379.10361	27.6
426.15265	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1413
Annotation	Pemetrexed
Peak:m/z	Relative Intensity
50.23342	0.6
53.95187	0.6
67.08758	0.8
70.35789	0.7
72.04532	3.2
73.39594	0.7
78.95914	1.5
82.02979	25.4
98.02468	29.2
100.04031	20.7
111.00859	1.4
112.01227	1.4
114.60947	0.7
119.05013	24.4
134.04680	0.9
136.04788	0.9
136.07677	52.0
141.25169	0.8
148.37050	0.8
152.70804	0.8
158.92548	1.4
174.08162	0.8
192.10352	4.5
200.58313	0.8
202.08777	0.9
218.08275	2.8
220.09799	67.5
246.07840	1.2
264.08853	2.9
426.14148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16648	0.8
59.01371	0.9
68.30830	0.9
69.99620	0.8
72.04549	4.5
72.86754	0.9
74.09438	0.8
78.95908	21.4
82.02981	24.8
88.98731	0.9
92.40774	1.0
98.02467	28.3
100.04047	18.6
104.36252	1.0
112.36983	0.9
119.05022	24.8
125.09694	1.4
126.17062	1.2
134.04730	7.1
136.07683	53.3
158.92526	8.3
164.04765	1.1
192.06026	0.9
192.10376	4.2
202.08746	1.4
218.08218	5.0
220.09793	71.7
264.08716	4.2
341.23889	1.3
426.02310	15.6
426.14087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23342	0.6
53.95187	0.6
67.08758	0.8
70.35789	0.7
72.04532	3.2
73.39594	0.7
78.95914	1.5
82.02979	25.4
98.02468	29.2
100.04031	20.7
111.00859	1.4
112.01227	1.4
114.60947	0.7
119.05013	24.4
134.04680	0.9
136.04788	0.9
136.07677	52.0
141.25169	0.8
148.37050	0.8
152.70804	0.8
158.92548	1.4
174.08162	0.8
192.10352	4.5
200.58313	0.8
202.08777	0.9
218.08275	2.8
220.09799	67.5
246.07840	1.2
264.08853	2.9
426.14148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1415
Annotation	Pemetrexed
Peak:m/z	Relative Intensity
51.94503	0.5
56.94416	0.6
59.01370	2.6
59.39218	0.6
71.01392	1.1
72.04541	2.9
73.24064	0.6
75.00877	0.6
78.29147	0.6
82.02983	26.2
82.03468	1.1
83.01377	0.7
85.02999	0.8
87.00900	0.7
92.23102	1.2
94.96341	0.7
98.02472	15.1
100.04041	38.8
101.02420	0.7
113.02399	0.8
115.04095	0.7
119.05025	29.7
127.34587	0.7
147.06602	2.8
192.10332	12.6
213.61752	0.6
218.08218	6.6
220.09807	60.7
236.09315	0.8
246.07779	1.0
264.08771	3.8
426.14099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2422
Annotation	Anandamide 0-phosphate
Peak:m/z	Relative Intensity
56.57963	8.5
83.44462	10.6
86.72646	9.6
104.66002	9.2
105.48226	9.4
125.30632	11.1
159.52795	9.7
181.28342	11.6
181.56451	9.8
198.04686	10.4
211.75813	10.0
291.16840	12.1
379.47141	12.5
426.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80779	0.5
66.70476	0.5
73.83208	0.6
73.90133	0.5
83.19328	0.5
86.70997	0.6
112.03880	0.6
135.04517	4.1
147.04578	0.7
162.03181	0.6
163.03947	2.9
164.04535	1.2
174.03204	1.2
175.04022	4.6
176.04512	2.8
187.04042	0.7
188.04581	0.6
188.08287	1.3
189.09122	3.6
190.09601	1.3
201.05447	0.7
203.07162	0.8
216.07838	1.4
217.08682	16.6
218.09071	14.1
229.08720	0.8
230.09167	2.6
231.10159	2.5
232.10628	1.2
237.71922	0.6
258.16199	1.2
259.16666	1.2
275.64691	0.7
286.15634	2.9
287.16147	4.6
288.16873	1.0
302.15100	3.2
303.15637	4.2
304.16391	1.2
327.23129	0.7
329.20935	1.0
356.23199	3.9
357.20218	5.4
426.27390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80779	0.5
66.70476	0.5
73.83208	0.6
73.90133	0.5
83.19328	0.5
86.70997	0.6
112.03880	0.6
135.04517	4.1
147.04578	0.7
162.03181	0.6
163.03947	2.9
164.04535	1.2
174.03204	1.2
175.04022	4.6
176.04512	2.8
187.04042	0.7
188.04581	0.6
188.08287	1.3
189.09122	3.6
190.09601	1.3
201.05447	0.7
203.07162	0.8
216.07838	1.4
217.08682	16.6
218.09071	14.1
229.08720	0.8
230.09167	2.6
231.10159	2.5
232.10628	1.2
237.71922	0.6
258.16199	1.2
259.16666	1.2
275.64691	0.7
286.15634	2.9
287.16147	4.6
288.16873	1.0
302.15100	3.2
303.15637	4.2
304.16391	1.2
327.23129	0.7
329.20935	1.0
356.23199	3.9
357.20218	5.4
426.27390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.00611	1.5
59.01373	0.9
67.06097	0.7
73.02943	32.3
78.09195	0.8
78.58318	0.8
84.04543	15.6
85.02931	1.8
91.66503	0.8
95.04932	0.7
96.04525	0.9
102.13390	0.8
103.83330	0.8
110.06120	7.6
126.05573	1.2
127.98314	0.8
128.03531	0.8
140.07184	9.9
154.05072	0.8
197.83382	0.8
207.18497	0.8
223.20773	7.4
235.20638	1.4
247.47415	0.9
253.21681	3.1
278.11395	1.0
298.43289	0.8
377.31754	1.0
408.27625	1.6
426.28696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56971	0.8
51.91737	0.8
56.00056	0.9
58.00587	4.5
71.01390	0.9
71.83062	0.8
73.02550	1.5
73.02943	29.4
77.76545	0.8
84.04547	17.6
85.02916	1.2
86.23416	0.9
90.95869	0.8
95.82924	0.8
110.06113	7.0
126.58997	0.9
131.10036	0.9
138.56203	0.9
140.07187	11.0
154.05074	1.1
156.06725	1.0
177.69505	0.8
180.94287	1.0
223.20674	7.3
235.20758	1.4
253.21782	3.6
312.22382	1.0
333.59973	1.0
360.68280	1.0
390.86047	1.1
426.28693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38837	0.6
59.01361	0.7
59.50895	0.7
61.98831	1.2
71.01390	0.9
71.64708	0.6
73.67231	0.7
75.94644	0.7
86.61834	0.7
92.23091	1.4
96.95974	1.3
97.06648	2.3
101.23568	0.9
114.09206	1.1
116.07165	100.0
121.92319	0.7
125.09618	0.9
167.21913	0.8
198.18620	1.1
226.18100	0.9
237.08185	0.9
238.21788	4.6
240.19783	1.1
243.86589	0.8
258.99686	0.9
266.21335	0.9
378.72925	0.8
426.28720	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10922	0.3
56.58722	0.4
56.94304	0.4
57.37740	0.4
57.46884	0.4
58.02961	0.5
61.29400	0.4
61.98826	0.9
67.93520	0.4
70.02975	3.0
71.02509	0.9
72.00918	1.0
81.90518	0.4
92.23103	0.5
93.57625	0.4
95.02502	3.5
96.95362	0.9
96.95998	23.4
102.07435	0.5
106.08756	0.5
108.79992	0.4
111.01997	2.2
113.03561	39.0
114.01954	20.6
131.04614	100.0
142.35942	0.5
155.55846	0.5
183.86040	0.5
189.29829	0.5
208.90608	0.4
211.13361	0.8
303.54218	0.4
306.07123	0.5
309.09512	0.5
316.96121	0.6
402.71893	0.5
426.21698	26.7
426.29715	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21761	0.8
51.28896	0.8
52.82445	0.8
70.02977	5.0
71.02486	1.2
72.00868	1.2
78.87129	0.9
78.95892	1.9
95.02508	5.3
96.96961	2.5
108.37798	1.0
110.44984	1.0
111.01952	1.5
111.20094	1.1
113.03569	35.1
114.01945	20.9
131.04616	100.0
147.89345	0.9
165.43929	1.2
178.46581	0.8
183.69221	1.0
190.20177	1.0
257.06201	1.0
328.21997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3021
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
52.46495	0.6
58.02966	4.5
63.70622	0.7
67.63066	0.6
69.78208	0.7
72.00898	4.3
91.05533	13.1
94.20179	0.7
94.77632	0.7
147.04527	26.9
164.07176	62.8
200.74104	0.7
205.00974	0.7
232.38179	0.8
344.29065	0.9
426.30203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20050	0.9
54.61310	1.0
55.80022	1.0
59.01373	2.2
71.01376	9.3
73.02947	4.6
78.95904	18.5
85.02953	2.2
96.95998	1.9
96.96957	51.5
101.02441	6.4
108.19190	1.0
108.99814	1.0
112.72845	1.0
113.02444	5.1
121.02935	2.4
122.03730	100.0
122.31057	1.0
123.04494	25.3
135.04420	1.4
137.06100	4.1
144.99146	1.0
149.06200	1.0
161.04538	8.9
165.05602	10.9
167.66457	1.0
177.05605	2.3
197.24355	1.1
285.09799	1.6
329.08829	84.2
427.06335	2.2
428.70850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62530	0.4
55.91574	0.4
56.05346	0.3
62.43304	0.4
78.95903	34.6
92.23086	0.5
92.76192	0.4
96.96954	100.0
107.88429	0.5
117.14166	0.5
122.03719	1.8
125.00600	0.4
167.03397	0.6
198.06221	0.5
222.08231	0.5
234.83315	0.5
261.34366	0.5
327.97888	0.4
328.29999	0.5
329.08923	1.0
365.43140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17098	0.8
59.01368	1.2
71.01376	3.3
72.60238	0.7
73.02939	1.9
77.70814	0.7
78.95902	37.2
80.38721	0.8
85.02923	1.3
89.02437	3.5
90.83208	0.7
96.96955	100.0
101.02440	2.9
102.55453	0.8
113.02394	1.8
113.76735	0.8
122.03732	37.2
123.04522	11.5
131.61014	0.7
157.50888	0.8
160.86418	0.8
161.04550	4.0
165.05521	3.5
167.03400	1.1
177.05722	0.9
177.38577	0.8
329.08801	35.8
380.57877	0.8
427.06116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83830	0.7
54.58339	0.7
62.18269	0.9
67.01875	3.5
67.45391	0.9
71.01387	1.2
73.18767	0.8
80.75978	0.8
85.02924	1.1
93.83466	1.0
108.02156	31.5
109.02937	33.7
111.00871	70.0
123.04542	1.1
151.03964	1.4
152.01144	78.2
153.01921	52.3
163.03944	1.9
188.18925	0.9
315.07254	100.0
427.02985	1.8
427.08835	45.9
427.14410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52054	0.4
55.31051	0.5
56.32168	0.5
59.01384	2.9
71.01358	0.8
73.02946	0.5
77.69678	0.5
80.28345	0.5
85.02951	1.4
89.02433	2.2
91.44940	0.5
101.02438	2.3
113.02444	100.0
119.05021	2.5
133.05038	1.1
133.06497	0.6
136.54860	0.6
145.02953	5.0
161.04832	0.5
161.06090	4.5
163.03990	4.7
205.03464	0.6
205.05045	3.9
213.66385	0.5
265.07275	3.3
277.49988	0.6
367.06052	0.6
427.09756	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11438	0.8
54.62589	0.7
57.71071	0.9
59.01374	16.2
62.69307	0.8
67.01884	4.8
71.01373	7.4
72.67272	0.8
74.08300	0.9
76.72124	0.8
85.02952	1.3
89.02431	17.9
101.02434	8.7
109.02962	2.0
111.00869	100.0
111.57265	1.0
113.02416	4.8
119.03481	8.3
123.04517	0.9
135.04512	23.4
145.49753	1.0
153.01947	13.8
153.05577	4.8
169.97929	0.9
179.05431	1.0
249.21884	0.8
300.86951	1.0
315.10876	69.5
427.12372	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65804	0.5
52.81976	0.4
55.01882	0.7
57.03432	0.7
59.01382	3.4
59.26647	0.5
65.16899	0.4
71.01376	22.8
73.02937	7.3
83.01387	3.2
85.02939	11.9
87.00854	0.7
89.02430	0.5
95.01375	1.0
97.02946	2.1
99.00865	2.7
101.02432	14.7
108.02168	3.2
109.02932	2.4
113.02452	12.4
115.03993	6.4
121.02935	2.0
121.06456	0.6
122.03727	100.0
123.04511	55.4
135.04504	0.7
137.02449	1.2
137.06117	0.8
143.03479	0.7
147.04478	1.1
159.02982	3.4
161.04544	28.5
165.05556	2.0
177.05588	0.8
177.09299	0.6
179.03439	0.6
205.05151	0.8
220.07471	0.5
223.75819	0.5
239.73412	0.5
285.09830	3.2
329.08719	5.6
427.12497	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47144	0.9
85.02940	87.8
93.01914	1.0
111.00873	17.2
123.04519	1.4
129.01929	100.0
134.96434	0.9
153.05603	11.2
191.05612	1.7
265.07141	18.1
281.22510	1.2
315.10941	4.2
427.12488	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.0
59.01374	19.2
60.97578	0.5
65.13800	0.5
67.01886	4.5
71.01370	8.4
72.99298	0.7
78.70023	0.5
85.02938	3.1
87.87244	0.5
89.02427	18.7
92.22573	0.8
99.04504	1.1
101.02438	11.7
111.00867	100.0
113.02441	7.3
119.03487	6.9
123.04494	5.2
135.04510	28.9
153.01976	1.0
153.05563	23.5
179.03661	0.6
308.27600	0.6
315.10880	77.5
427.12399	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.7
64.24310	1.4
67.01888	6.9
71.01382	11.0
73.70763	1.5
78.52245	1.4
79.93484	1.5
87.61073	1.7
89.02449	17.3
99.10652	2.0
100.80789	1.7
101.02433	9.7
111.00876	100.0
113.02493	3.5
115.51506	1.8
119.03489	7.3
123.04502	4.2
135.04512	21.9
153.05553	17.3
160.94164	2.0
315.10889	87.1
427.12488	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39875	0.4
55.28608	0.4
69.27766	0.4
70.85654	0.4
71.96481	0.4
87.00845	0.5
92.56860	0.5
108.02166	10.4
111.00854	0.7
116.42110	0.5
123.04512	18.6
152.01155	42.3
167.03496	100.0
209.18275	0.5
223.51968	0.5
223.64052	0.4
307.65546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
67.59174	0.7
71.01380	22.0
73.02947	9.3
76.40065	0.8
78.55696	0.8
83.01372	3.1
85.02942	10.8
85.15125	0.7
88.77441	0.8
89.02431	1.5
95.01369	1.5
97.02892	1.4
99.00867	3.3
99.87620	0.8
100.00388	0.7
101.02443	16.7
108.02173	1.3
109.02945	1.7
113.02441	14.3
115.03980	5.9
121.02882	1.0
122.03732	100.0
123.04513	51.2
125.02451	1.0
127.69500	0.8
133.02910	1.5
135.04523	1.4
137.02451	1.3
137.06105	0.8
145.02936	1.2
159.02911	1.9
161.02515	0.9
161.04559	27.6
165.05542	1.4
177.05521	1.4
205.12267	1.9
235.06160	0.8
265.07233	1.1
270.76416	0.8
285.09732	3.1
329.08743	5.2
342.17535	0.9
364.15128	1.5
379.17438	1.4
389.63132	0.8
427.12399	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
66.41905	1.1
68.58209	1.1
68.76860	1.1
70.10529	1.1
71.01379	50.1
73.02945	15.3
75.37425	1.1
79.21265	1.4
83.01383	7.0
85.02943	25.4
87.00848	1.6
89.02423	1.7
95.01366	2.8
97.02934	2.4
99.00896	6.1
99.04508	2.0
101.02440	29.6
108.02171	2.0
111.00928	1.3
113.02446	19.7
114.18385	1.2
115.03967	9.7
119.04993	2.2
122.03734	84.3
123.04520	100.0
132.79344	1.2
137.02446	2.1
159.02971	5.1
161.04562	52.0
163.04056	1.5
165.05553	2.4
167.03525	2.1
175.26486	1.3
220.03896	1.8
265.07190	1.8
277.73648	1.4
285.09744	5.7
292.25745	1.3
329.08734	6.5
427.12473	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41848	1.8
53.30877	1.3
54.19013	1.4
56.05188	1.5
56.51077	1.6
59.01391	6.7
61.12296	1.6
70.78470	1.7
71.01382	27.9
73.02943	18.9
83.01360	2.2
85.02943	10.7
93.03446	3.5
99.00875	2.8
99.04504	2.1
101.02441	16.1
101.02993	2.0
106.56275	1.9
113.02454	13.5
115.04045	4.0
122.03735	100.0
123.03640	3.9
123.04519	85.6
161.04553	46.8
224.61330	2.2
285.09906	3.1
329.08563	4.4
427.12439	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11374	0.3
59.01377	0.5
61.65322	0.4
66.79046	0.3
75.07776	0.3
86.47862	0.3
96.26007	0.3
100.89349	0.4
100.90005	0.4
101.77951	0.3
108.02174	12.6
123.03650	0.8
123.04520	17.7
152.01155	44.7
167.03502	100.0
220.15550	0.4
345.91360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
66.41905	1.1
68.58209	1.1
68.76860	1.1
70.10529	1.1
71.01379	50.1
73.02945	15.3
75.37425	1.1
79.21265	1.4
83.01383	7.0
85.02943	25.4
87.00848	1.6
89.02423	1.7
95.01366	2.8
97.02934	2.4
99.00896	6.1
99.04508	2.0
101.02440	29.6
108.02171	2.0
111.00928	1.3
113.02446	19.7
114.18385	1.2
115.03967	9.7
119.04993	2.2
122.03734	84.3
123.04520	100.0
132.79344	1.2
137.02446	2.1
159.02971	5.1
161.04562	52.0
163.04056	1.5
165.05553	2.4
167.03525	2.1
175.26486	1.3
220.03896	1.8
265.07190	1.8
277.73648	1.4
285.09744	5.7
292.25745	1.3
329.08734	6.5
427.12473	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
66.69274	1.1
71.01378	2.2
73.02939	13.8
73.96146	1.3
76.67138	1.2
76.82838	1.3
83.05016	3.0
85.02934	2.5
89.02408	1.4
93.03452	31.8
93.23499	1.3
96.47475	1.4
99.00874	6.7
99.04482	3.2
100.67866	1.2
111.04517	25.1
115.00353	1.4
115.08924	1.3
129.01892	5.3
129.47551	1.3
133.01410	5.4
133.05098	1.4
137.02446	13.6
143.03546	2.4
152.99123	1.4
155.03493	13.1
172.99545	1.6
173.04550	100.0
182.30215	1.4
191.05602	5.6
195.56612	1.4
222.63615	1.4
227.91263	1.3
296.64453	1.4
347.64633	1.3
399.24228	1.4
427.14432	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
50.14430	0.4
50.57916	0.4
59.01381	4.3
60.07097	0.4
61.71188	0.5
65.71672	0.4
70.46670	0.4
71.01382	4.1
73.02950	1.8
85.02953	1.1
89.02447	3.1
90.76132	0.5
99.00895	0.6
101.02462	3.5
113.02438	5.5
117.03459	5.4
117.68940	0.5
117.99596	0.6
119.03506	0.9
119.05016	9.1
126.56155	0.6
141.95892	0.5
145.02959	100.0
163.04012	13.0
195.52921	0.4
246.15642	0.5
265.07172	0.5
295.11911	0.8
338.34021	0.5
391.25433	0.5
427.16147	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96527	0.4
53.55907	0.5
56.31948	0.5
59.01382	100.0
60.24392	0.6
82.61365	0.6
96.95998	0.6
101.02443	0.7
148.05293	8.4
161.45120	0.7
163.07657	12.0
172.58553	0.6
218.56648	0.6
251.69565	0.6
288.07645	0.6
308.91678	0.8
313.39456	0.6
372.84473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1615
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
51.79983	0.5
53.30304	0.5
59.01383	3.4
66.61813	0.5
71.01364	3.5
73.02943	1.2
74.57160	0.4
89.02460	1.1
101.02439	3.7
113.02435	2.9
117.03464	6.3
119.05030	8.2
121.02935	0.7
145.02957	100.0
146.03273	0.7
147.04494	0.8
161.06129	0.8
163.04016	13.3
205.05077	0.9
217.18465	0.7
300.63440	0.7
405.34775	0.6
427.16153	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67018	0.2
59.01383	2.7
60.97715	0.2
61.98829	2.1
71.01376	2.5
73.02946	0.6
85.02944	0.6
87.46250	0.3
89.02415	2.4
91.07468	0.3
101.02436	3.1
113.02454	1.8
117.03449	5.3
119.03523	0.5
119.05019	8.9
119.07150	0.4
121.02995	0.3
142.28522	0.3
145.02954	100.0
152.01123	2.5
163.04012	13.0
163.05334	0.6
167.03505	3.3
181.05066	0.3
205.05035	0.5
420.50836	0.3
427.16156	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1624
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
53.02484	0.9
58.92987	0.9
59.27996	1.0
78.95921	1.2
83.02528	1.4
84.00893	1.1
84.82432	1.0
89.71252	1.0
92.22520	2.0
95.73745	1.0
99.01995	37.3
99.92624	1.4
110.43896	1.2
113.03560	5.9
115.92066	2.0
116.92847	4.9
119.04991	1.3
151.08765	44.7
163.03969	1.2
180.06664	4.4
190.09886	8.6
206.09268	1.8
208.18631	1.1
218.09407	4.2
219.07777	7.3
220.10860	1.9
226.69655	1.1
234.08925	2.3
266.99799	1.0
269.12952	1.4
281.17584	1.3
319.13263	1.2
322.15521	1.0
349.20007	1.0
367.71347	1.1
383.17365	5.7
427.16248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17526	0.7
64.92479	0.8
71.41059	0.7
72.73751	0.8
74.02470	1.2
79.67651	0.7
81.16376	0.7
82.39257	0.8
84.04535	1.1
86.19559	1.0
89.02470	0.9
94.45723	0.9
96.96000	1.8
96.96958	4.4
101.07187	1.7
109.04063	3.7
111.36852	0.8
119.04990	5.2
122.03737	1.0
127.05123	61.0
128.03539	8.0
143.69058	0.8
161.98869	0.8
184.64490	0.9
219.11392	1.7
221.12935	4.7
247.10901	27.4
248.70468	1.0
265.11945	100.0
329.08813	2.1
401.73529	0.8
427.17267	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93721	0.4
59.01364	2.0
63.43406	0.4
68.79137	0.4
71.01379	0.8
73.02935	2.5
74.02462	0.8
78.95898	1.0
82.02992	0.7
84.04527	0.6
89.02478	0.4
101.02443	12.3
101.07189	2.1
109.04050	3.1
110.98505	2.5
112.04046	0.9
113.02443	0.5
119.03613	0.5
119.05011	4.1
125.07241	0.5
127.05125	45.3
128.03557	6.4
135.04630	0.4
136.07655	0.5
190.08690	1.0
191.05609	0.8
197.39067	0.5
203.07130	0.9
219.11397	1.1
220.01639	0.5
221.08284	2.0
221.12837	4.2
232.36896	0.4
233.13060	1.7
245.13084	0.6
247.10892	18.5
263.14075	0.7
265.11951	100.0
307.12994	1.7
316.20801	0.5
317.15213	0.5
324.87631	0.5
337.10043	0.8
337.14124	24.5
349.14209	0.6
367.14746	0.6
379.15314	0.5
401.93430	0.6
409.16406	0.5
427.12616	1.7
427.17615	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
59.93729	1.3
78.95915	1.4
87.39484	1.6
89.02448	2.9
92.22532	3.1
96.96925	2.6
109.04079	7.2
119.05023	18.3
127.05126	73.8
128.03534	34.2
133.05045	2.5
136.07692	17.5
145.06195	2.7
179.11395	1.7
179.12955	1.7
193.95718	1.6
221.09229	2.8
247.10918	53.0
265.11935	25.2
427.17331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90417	1.4
58.96248	1.7
61.98838	2.4
71.01373	10.1
78.76191	1.7
81.65295	2.1
84.93896	2.5
85.63612	1.6
96.65750	1.9
99.92578	27.4
100.93358	52.0
115.92068	79.0
116.92850	100.0
126.94907	1.9
139.45833	1.6
153.34557	1.6
154.94403	14.3
172.95476	65.2
216.92374	2.0
228.31778	1.8
253.21742	10.1
324.27130	1.9
427.17938	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.01375	0.3
71.25420	0.3
73.36868	0.3
75.83176	0.3
88.30999	0.3
98.03111	0.3
99.92577	4.2
100.13787	0.3
100.92841	1.0
100.93356	48.3
115.92068	100.0
116.92856	8.3
122.00224	0.3
132.92357	0.4
142.94432	0.5
172.95474	8.2
253.21759	1.8
259.01541	0.3
265.27347	0.4
281.10266	0.4
355.32239	11.5
358.20627	0.3
379.15775	1.5
394.83862	0.3
409.17126	0.5
427.17960	31.8
448.82391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1978
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.39697	0.3
59.01379	0.9
59.96825	0.4
61.98837	0.5
67.94405	0.4
79.63681	0.4
113.02445	0.5
123.51781	0.4
147.07170	0.4
186.01840	0.5
194.21645	0.4
221.15495	5.8
247.13409	15.3
251.45726	0.5
265.14471	100.0
279.16000	2.2
307.15552	3.2
350.16840	0.4
427.19772	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01384	100.0
63.76637	0.7
71.01383	12.5
73.02945	3.9
83.01385	1.4
85.02954	5.9
86.25191	0.7
89.02460	1.6
95.01334	0.7
99.00856	1.3
101.02419	9.8
113.02435	6.5
156.77345	0.8
159.02985	1.2
161.04572	27.3
193.58829	0.8
205.12354	53.7
211.95982	0.8
300.50134	0.9
367.17615	4.1
427.19858	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
84.93896	1.0
99.92589	9.2
100.93362	1.3
106.75834	0.5
114.94912	4.3
115.92064	4.1
116.92855	100.0
117.93605	1.0
131.82935	0.5
144.33643	0.5
145.21880	0.6
158.93901	4.2
160.94925	0.5
173.92606	1.3
213.19780	0.6
427.21600	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98859	0.9
71.01366	1.3
73.05751	0.7
90.73349	0.7
93.98615	0.6
104.46663	0.7
114.57722	0.7
167.94817	0.8
208.78731	0.8
224.90182	0.7
235.16963	1.3
275.20212	4.7
291.19754	0.9
293.17664	3.4
293.21271	3.7
311.22437	1.0
329.23404	1.0
401.19589	0.9
427.27039	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07471	0.5
51.39400	0.5
59.01381	100.0
61.22587	0.6
61.98829	1.4
68.04330	0.6
71.01372	3.7
72.99315	1.0
80.28499	0.5
95.83363	0.7
96.95995	0.9
125.20047	0.7
128.28268	0.7
138.77470	0.7
143.43440	0.7
171.10283	0.8
197.11751	0.7
235.17027	4.3
257.11697	0.7
268.46390	0.6
275.20184	6.4
276.25961	0.7
293.21167	4.9
311.22385	6.3
313.18079	1.2
329.23471	0.8
378.58340	0.8
409.21942	0.8
427.17850	0.8
427.23505	3.2
427.28906	1.2
427.68832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40216	0.7
56.35350	0.6
57.16895	0.6
59.01382	100.0
60.39825	0.7
82.74898	0.7
91.03997	1.7
125.03800	0.7
171.10283	1.5
209.50284	0.8
264.32910	0.8
275.20175	5.4
293.21222	11.9
391.73871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48652	0.7
56.71136	0.9
58.05790	0.8
59.01384	100.0
60.17999	0.9
69.20819	0.9
71.01374	1.1
71.66255	0.8
92.22629	1.0
116.39272	0.9
121.71055	1.0
122.00251	1.0
235.17072	2.2
235.34637	0.9
275.20166	7.8
293.21243	6.4
311.22217	6.9
405.61606	1.1
431.17661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36008	1.1
59.01385	100.0
62.95465	1.4
115.07639	1.6
260.21799	1.6
293.21271	9.1
368.26892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88690	0.5
57.03439	0.9
59.01392	2.5
60.91829	0.7
66.70143	0.7
69.03437	0.9
70.20897	0.7
82.97782	0.6
85.92536	0.7
87.06746	0.6
89.02439	1.3
103.82028	0.7
118.29726	0.7
131.03542	1.3
155.52634	0.7
171.10271	45.7
171.11746	1.5
172.55179	0.7
179.25005	0.8
183.10236	1.0
186.14517	0.7
195.13913	0.8
277.18637	1.3
277.21738	65.6
295.22812	100.0
387.27814	0.7
427.27045	62.2
437.21408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19176	0.6
58.19217	0.8
59.01382	100.0
59.02811	0.6
62.00084	0.6
66.79008	0.7
73.49770	0.7
81.83718	0.7
139.52943	0.8
152.06616	0.8
293.21268	12.2
311.22134	1.2
367.24762	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54311	0.5
59.01380	100.0
66.92226	0.6
69.62074	0.5
83.22137	0.5
83.22648	0.7
102.52648	0.5
104.57273	0.5
144.96500	0.6
162.40816	0.6
168.48856	0.6
213.22984	0.6
228.42300	0.6
270.16226	0.8
293.21298	6.5
367.24789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.05987	0.6
136.14534	0.6
161.97714	0.6
214.27579	0.6
293.21313	7.9
367.24893	2.7
427.29239	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.5
73.56685	1.2
75.00876	18.4
85.02956	3.3
99.00844	1.9
111.93951	1.2
118.13667	1.2
119.23251	1.3
129.01970	2.6
147.03015	12.2
161.75198	1.6
165.04089	2.2
279.23331	100.0
427.27072	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.5
56.46920	0.7
59.01384	1.3
59.73631	0.6
71.01367	1.7
75.00864	5.1
85.02940	1.4
87.00878	0.8
88.25594	0.6
89.02444	1.7
99.00887	8.9
101.02448	2.8
117.01910	0.7
129.01938	15.7
138.58279	0.7
147.03004	19.0
173.45984	0.6
279.23318	100.0
342.39929	0.8
355.96115	0.7
427.27051	39.3
439.68481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54869	0.6
57.03451	1.4
58.17438	0.5
59.01387	4.9
59.01627	0.6
71.01385	1.1
72.99303	0.8
73.02934	0.9
75.00868	14.0
78.31391	0.8
85.02942	4.9
99.00888	7.8
109.02946	5.6
110.03269	1.2
129.01930	4.4
135.79840	0.8
147.02986	12.4
165.04083	1.1
197.04503	0.8
279.23315	100.0
302.77112	0.8
404.30435	0.7
407.45337	0.8
427.27002	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22897	0.5
59.01368	0.6
61.98835	100.0
66.69810	0.6
67.98364	0.5
81.16176	0.6
87.49631	0.5
161.32214	0.6
310.56396	0.6
423.79895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14489	1.0
58.02979	6.7
70.01514	0.9
70.02978	14.0
71.01388	8.7
75.00857	5.9
80.45660	1.0
96.00917	52.2
96.96887	1.0
99.00784	1.2
99.08145	7.1
113.03566	7.2
113.09709	2.5
114.01954	30.3
115.00334	9.5
129.09212	12.3
131.04628	20.2
131.43306	1.1
139.11250	6.4
153.12836	8.0
167.14400	7.3
171.10289	5.5
182.15491	20.5
183.10277	4.7
196.13480	1.7
197.11877	17.7
200.12956	19.2
201.11255	1.4
210.15073	1.2
211.13438	17.9
214.14510	63.4
215.12874	6.4
228.16060	62.3
229.14441	5.6
281.82773	1.2
325.42349	1.4
327.21777	10.7
409.26715	4.1
427.23264	7.9
427.28168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2857
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
56.63246	3.9
59.01379	49.1
60.12094	3.8
86.38744	3.8
93.03461	32.6
99.93190	3.8
104.25553	3.9
120.66035	3.6
131.65857	4.1
173.04504	6.4
173.05908	4.6
201.09253	14.5
202.09909	4.5
215.10905	6.2
228.11615	9.3
269.21277	6.5
270.16281	35.3
324.20947	65.0
330.50296	5.0
339.23358	100.0
427.28101	92.3
448.40973	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.38836	0.7
59.01362	0.9
92.22495	1.2
118.73167	0.8
129.01935	3.2
159.04440	0.9
161.06041	1.1
173.06029	4.6
185.06114	1.4
185.44867	0.8
186.06870	4.7
187.07613	3.1
199.07664	3.9
200.08453	4.0
201.09227	5.0
202.10005	10.3
213.09175	10.5
215.10793	11.4
216.11659	1.4
217.12230	1.3
227.10831	16.8
228.11482	3.3
249.64449	1.0
251.67149	0.9
268.14664	1.3
270.16254	21.5
279.23364	19.5
311.23834	1.7
339.23322	100.0
427.28061	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26900	1.4
55.53934	1.5
59.67063	1.4
60.16717	1.3
61.22574	1.4
64.39024	1.6
71.01376	73.4
72.25060	1.4
73.60828	1.4
115.00356	15.8
132.91698	1.8
178.87312	1.7
201.77350	1.7
228.39984	1.6
279.23392	2.4
311.29608	100.0
394.38461	1.7
427.30920	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96189	0.9
63.63201	0.9
64.73555	0.9
71.01379	9.0
75.00867	4.1
76.83026	0.8
79.19943	1.0
91.34832	0.9
92.12080	1.0
96.00912	4.2
110.87028	0.9
114.01944	1.3
115.00365	8.9
116.92832	1.2
139.11256	1.2
153.12849	14.5
170.15500	1.1
171.10254	2.2
197.11848	19.9
200.12904	6.4
211.13367	1.4
211.35291	1.0
214.14503	100.0
215.12924	9.8
228.16040	7.1
229.14366	1.1
427.14584	1.1
427.23257	15.1
427.28238	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01358	1.3
59.10969	1.3
60.05895	1.3
61.98827	29.7
63.59322	1.2
71.01376	5.8
79.89809	1.2
81.49471	1.4
88.24239	1.2
96.00919	3.2
99.92488	1.8
100.93401	1.3
111.08154	9.8
113.03553	1.9
114.01994	1.7
115.00351	8.3
115.92101	3.1
116.92841	6.0
125.09653	1.7
131.04620	2.7
137.42905	1.3
139.11290	19.7
153.12842	25.8
170.11880	2.2
172.09784	23.2
180.13925	5.1
183.10255	7.4
195.17503	12.3
197.11861	32.6
199.41464	1.5
200.12866	2.0
201.11417	5.3
212.20381	2.3
215.12810	13.9
237.73933	1.5
238.18115	2.9
239.16502	29.9
240.30490	1.4
256.19193	100.0
257.17612	2.5
283.09726	3.0
311.22217	2.3
313.24014	2.2
329.23743	1.9
346.55991	1.5
378.26599	6.1
395.24149	2.2
395.29196	64.5
427.14313	5.8
427.23007	5.8
427.32617	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02245	2.1
59.01382	9.6
67.01884	2.6
85.75274	2.1
105.03442	2.9
107.05061	5.4
111.00880	2.3
121.02934	3.7
123.04507	64.2
151.04008	8.7
160.04047	14.2
160.50023	2.7
162.05603	28.0
163.00491	2.5
172.04018	2.4
181.05069	77.3
188.03539	59.3
190.05084	46.8
197.71011	2.7
206.04628	5.7
218.04591	100.0
237.04031	5.0
269.04636	9.8
310.07129	5.4
326.10501	4.5
354.09851	16.9
374.35669	2.4
428.09927	10.3
453.46240	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92275	0.6
57.82531	0.7
59.01384	18.1
71.01376	8.2
72.25452	0.8
72.44775	0.7
73.02951	0.9
78.64731	0.7
82.02977	3.8
83.01415	0.9
84.04539	8.8
85.02934	6.1
89.02444	7.3
91.80451	0.7
92.24828	0.8
99.03603	0.8
100.04042	9.2
101.02443	8.3
102.05618	1.6
113.02455	3.8
117.62580	0.8
119.03514	1.8
119.05025	8.5
128.03543	11.7
129.01933	1.7
164.03506	1.3
176.04037	0.9
204.10297	9.6
220.09770	19.9
222.11320	6.2
248.09311	21.3
266.10349	17.8
311.76190	1.0
428.15717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03815	0.7
54.19976	0.7
59.01393	0.8
64.06954	0.7
72.84354	0.7
75.23972	0.7
82.02975	9.2
85.02943	3.8
95.44574	0.8
98.02494	0.9
100.04047	19.8
101.02433	0.8
119.05016	16.4
128.03523	16.6
129.01947	6.3
204.10355	0.9
220.09792	57.2
248.09288	24.4
266.10349	61.9
296.67099	0.9
306.30972	1.1
428.15683	100.0
443.76459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20450	1.0
54.04553	0.7
54.79908	0.7
56.47758	0.8
59.01381	48.9
68.34191	0.7
68.42817	0.8
71.01384	7.9
72.99332	0.8
80.24388	0.7
82.02985	3.4
84.04548	9.6
85.02956	6.0
89.02449	8.8
92.22505	1.1
94.41621	0.9
100.04047	9.6
101.02476	8.5
101.28185	0.8
102.05605	1.4
109.49616	0.9
113.02451	4.8
119.03471	1.9
119.05010	13.1
128.03525	12.0
129.01906	3.4
149.74547	0.9
185.80394	0.9
190.08678	0.9
191.05888	22.5
204.10303	10.3
206.08232	62.3
220.09785	21.3
222.11436	7.6
248.09280	22.5
266.10373	22.1
325.12878	1.3
428.15680	100.0
434.93756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48907	0.8
59.01389	1.9
73.89827	0.7
76.59081	0.7
77.11091	0.7
82.02970	12.2
85.02954	3.5
89.85746	0.7
98.02462	1.1
100.04047	20.1
113.71787	0.8
119.05013	17.9
128.03532	17.4
129.01939	7.0
161.79956	0.8
167.03456	1.1
168.03874	2.0
195.44455	0.9
218.08186	1.0
220.09795	66.9
239.21336	0.9
248.09303	27.4
249.81172	0.9
266.10370	72.1
428.15695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58187	0.5
68.42445	0.5
68.72884	0.6
82.02974	10.7
85.02940	1.5
87.99696	0.7
90.01146	0.7
96.61640	0.8
100.04037	17.1
101.02414	1.2
109.87838	0.6
119.05026	14.4
128.03534	18.7
129.01965	8.0
142.61914	0.6
153.04939	0.6
165.72047	0.9
212.93416	0.6
220.09798	56.3
222.11327	0.9
248.09306	25.4
263.61652	0.7
266.10367	69.7
381.86432	0.7
428.15668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22663	0.9
58.68388	0.8
59.01385	15.8
59.13976	0.9
61.15192	0.8
65.70068	0.9
66.14260	1.0
71.01374	8.6
76.05887	0.9
82.02988	5.0
84.04533	5.3
85.02946	7.6
89.02417	10.4
100.04022	10.3
101.02447	10.6
113.02434	2.1
115.49350	1.0
119.03484	1.9
119.05020	6.7
128.03560	11.0
129.01935	4.1
131.65724	1.1
153.05576	4.3
154.05952	1.9
169.76335	1.0
204.10333	5.3
220.09801	22.9
222.11339	6.1
248.09280	17.2
266.10382	11.4
271.08197	1.6
272.08691	2.1
428.15683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42117	0.9
59.01373	1.6
60.45726	1.0
81.24591	1.0
82.02973	5.3
84.04533	1.2
85.02955	6.2
88.04026	1.1
89.02435	1.3
98.02461	1.2
100.04040	12.5
101.02452	5.6
104.95833	1.0
106.94188	1.0
115.11769	1.0
119.04993	13.2
123.04491	6.3
124.04839	1.9
128.03535	44.8
129.01932	26.0
136.07693	14.0
147.47565	1.5
167.03477	1.6
202.16522	1.1
220.09802	27.1
248.09296	42.3
266.10385	29.3
307.50723	1.3
391.46536	1.5
428.15695	100.0
442.39029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22867	0.7
59.01377	15.3
62.25612	0.7
71.01379	8.0
78.62623	0.8
82.02989	4.3
84.04548	9.0
85.02944	7.2
89.02438	8.1
92.23092	1.4
100.04039	8.8
101.02438	9.1
101.11591	0.7
102.05608	1.5
113.02462	3.1
119.03531	1.0
119.05030	12.1
122.91190	0.8
128.03529	13.4
129.01958	1.4
187.27039	0.8
204.10309	9.5
220.09799	23.0
222.11411	9.5
248.09302	25.8
266.10361	19.5
285.83218	0.9
428.15659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31863	0.6
52.21528	0.7
71.35790	0.8
74.55611	0.7
79.88461	0.7
82.02973	9.8
82.41138	0.7
85.02943	1.6
86.67022	0.7
97.44895	0.8
100.04036	19.7
100.64883	0.8
101.02432	3.5
119.05022	15.9
126.74144	0.7
127.10884	0.7
128.03529	20.0
129.01918	5.7
185.29517	0.7
209.12428	0.8
212.07404	0.8
220.09790	58.7
222.11269	0.9
237.91032	0.8
248.09285	22.1
266.10352	73.1
428.15652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00904	0.7
56.94856	0.8
59.01376	1.7
82.02970	12.0
85.02954	4.5
89.02428	1.0
89.70164	0.8
92.23122	1.2
98.02496	0.8
99.87682	0.9
100.04037	21.9
101.02455	3.6
119.05026	15.2
128.03531	17.7
129.01968	4.9
148.26273	0.9
162.06932	2.1
163.07211	1.4
177.09259	1.3
177.27284	1.0
178.09497	1.3
204.10217	1.0
220.09805	59.8
236.06473	3.8
246.59665	1.0
248.09288	27.1
248.11676	1.5
265.07220	3.4
266.07687	5.1
266.10355	68.9
325.13065	0.9
383.14700	0.9
428.15756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.0
71.01382	9.0
73.02888	0.9
81.83626	1.0
82.02981	4.4
83.01347	1.1
84.04559	6.7
85.02951	6.6
89.02441	9.4
90.05879	1.0
90.82765	0.9
92.22832	2.0
100.04053	8.6
101.02419	6.5
102.05618	2.1
108.02160	1.3
109.02435	1.1
113.02473	1.9
119.03497	1.3
119.05032	10.3
123.04522	1.9
128.03551	10.3
129.01941	4.0
152.01123	6.1
153.01474	1.7
167.03514	15.6
168.03838	8.4
197.11482	1.1
204.10347	8.7
220.09785	16.8
222.11299	7.8
248.09288	19.5
266.10394	18.1
378.54828	1.0
397.06500	1.0
428.15686	100.0
434.45328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29340	0.6
55.45224	0.6
57.58890	0.7
57.73252	0.8
62.96556	0.8
72.64113	0.8
82.02976	5.2
85.02951	6.5
98.02475	0.9
100.04050	12.6
101.02457	3.4
119.05029	11.1
128.03540	50.7
129.01941	27.8
129.02867	1.7
130.07727	0.7
136.07680	14.5
146.04579	3.1
160.50708	0.8
173.26056	0.7
177.08589	0.8
220.09799	21.6
248.09308	43.1
266.10391	27.8
310.64618	0.8
428.15689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	73.0
67.87551	48.2
79.41766	51.8
98.48405	52.6
119.93312	61.2
126.67408	66.4
138.03874	51.7
156.04439	72.4
171.73073	65.9
202.37071	58.0
356.23914	100.0
365.16623	55.4
394.93463	57.8
428.22223	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53801	0.9
58.45341	1.2
59.01382	6.9
63.53044	0.9
64.32518	1.0
71.01378	22.0
73.02944	5.4
73.37100	1.2
78.89120	1.0
83.01350	1.1
85.02939	8.6
89.02457	1.8
91.11620	1.2
92.23051	1.6
99.00859	1.5
101.02452	18.8
113.02456	14.3
122.77819	1.4
153.09187	2.5
159.03011	1.5
161.04553	48.1
205.12347	100.0
367.17630	23.6
385.18793	2.2
406.50406	1.4
428.19571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27011	1.6
55.86884	1.3
55.99304	1.4
59.01350	7.9
61.59595	1.3
65.52909	1.5
68.74733	1.8
82.02965	2.7
86.02432	8.2
87.00861	14.5
111.13548	1.5
116.07170	37.5
127.05067	3.2
127.08723	3.0
128.03539	91.6
130.08720	23.7
131.09036	2.7
138.09268	13.7
156.10254	3.0
157.13344	3.7
166.08716	3.7
171.09183	2.6
172.09378	1.9
180.10158	6.5
182.08228	60.6
183.11391	56.7
199.18073	2.4
211.14352	2.1
227.10406	59.7
311.12360	2.4
356.25281	3.2
410.18997	6.9
418.67535	1.8
428.19974	100.0
432.14832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.35275	0.7
70.93060	0.7
80.33961	0.8
85.03502	0.7
229.27229	1.0
428.27350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73133	0.4
61.98832	100.0
71.79199	0.5
72.02109	0.5
101.80990	0.5
261.23166	0.5
310.26706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01386	0.6
82.32722	0.4
101.62079	0.4
115.00371	0.7
177.02567	0.4
195.87526	0.4
396.62851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2811
Annotation	Hippolide B
Peak:m/z	Relative Intensity
56.42495	0.4
58.02973	0.6
61.07705	0.4
72.57440	0.5
90.26337	0.5
109.02949	1.0
114.26614	0.4
119.97055	0.5
121.02939	2.8
123.04493	2.1
146.95251	0.6
148.04062	2.6
149.04823	20.3
150.05609	29.5
161.06102	2.4
175.07611	2.1
176.03540	12.2
203.10858	0.8
217.12372	4.1
218.08148	0.9
246.11322	0.6
260.12781	1.0
261.13632	0.7
315.18433	1.2
341.20035	2.1
410.27072	100.0
428.28110	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3021
Annotation	hexadecanedioic acid mono-L-carnitine ester
Peak:m/z	Relative Intensity
50.39323	0.8
53.23552	0.8
55.07858	0.8
65.48497	0.8
78.95905	1.1
94.38132	1.0
96.96948	1.3
99.08131	1.9
114.09226	1.5
116.07162	100.0
117.75928	1.0
123.38265	1.1
125.09642	1.2
226.18076	1.7
238.21754	1.9
249.78720	1.1
428.30197	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.302
Annotation	hexadecanedioic acid mono-L-carnitine ester
Peak:m/z	Relative Intensity
57.15801	1.4
58.00596	2.2
68.68438	1.4
71.27465	1.4
71.49216	1.6
79.33863	1.8
80.04461	1.5
84.04527	16.1
86.12521	1.7
109.62202	1.5
110.06112	7.2
127.59860	1.7
140.07179	9.5
165.75806	1.7
225.22237	43.9
225.24367	2.7
231.76833	1.8
255.23279	22.9
410.29239	2.3
428.30249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3174
Annotation	Ebeietinone
Peak:m/z	Relative Intensity
53.36332	0.8
56.79568	0.8
58.02985	1.2
59.01357	1.1
63.24605	0.9
81.08290	0.9
85.29604	0.9
91.05534	9.9
116.41082	0.9
116.92865	14.6
117.92861	6.7
124.98291	1.1
128.15256	1.0
141.28133	1.0
147.04532	22.7
157.84897	1.0
164.07175	60.7
164.55833	0.9
209.52603	1.0
216.75410	1.0
280.26480	6.8
428.22775	11.1
428.31723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.4
73.28114	0.4
75.00864	0.7
78.95903	29.3
85.02927	0.8
87.00883	6.1
89.02432	1.1
96.96957	100.0
113.02450	0.7
114.66363	0.6
115.31239	0.5
150.03230	0.6
151.02803	1.1
151.03987	11.5
152.44035	0.5
169.01405	1.2
194.20319	0.5
228.26231	0.5
237.06192	2.7
276.83920	0.6
294.84708	0.6
313.09332	2.1
331.06940	0.9
331.10406	6.3
346.16125	0.6
429.08051	5.3
429.12848	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42955	0.3
57.76680	0.3
59.01377	1.7
59.41506	0.4
63.99759	0.3
71.01377	1.6
78.95903	29.8
83.17091	0.4
85.02942	0.8
87.00864	4.1
89.02420	0.7
96.96071	4.3
96.96952	100.0
99.00903	0.4
101.02421	0.7
108.26212	0.4
113.02425	0.8
119.03480	0.5
119.68162	0.5
124.24023	0.4
128.03500	0.4
150.03204	0.8
151.04007	11.1
169.01427	2.6
191.05649	2.1
237.06145	1.9
261.22342	0.5
267.39865	0.5
283.93417	0.5
313.09045	1.4
331.10251	4.9
380.17853	0.4
429.07550	5.2
429.13263	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01377	12.2
71.01379	14.5
72.99306	1.1
75.00871	7.6
79.31680	0.8
85.02943	15.4
87.00874	7.2
87.71677	0.9
89.02440	8.0
95.01390	3.9
99.00884	5.9
101.02438	0.8
103.00370	1.4
107.31392	0.7
113.02443	40.4
116.16611	0.8
117.01916	1.8
117.67624	0.8
129.01932	1.2
129.76912	1.0
131.03499	1.5
133.02928	1.3
135.04526	16.9
149.04527	1.2
153.05605	1.2
161.02437	28.0
175.02560	1.7
179.03542	9.9
190.02731	1.1
205.05202	1.6
207.05070	1.6
249.06223	8.8
253.07054	1.5
267.07217	76.2
325.09033	1.0
350.97626	0.9
372.83508	0.9
375.39511	0.9
429.10364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12443	0.9
57.03452	1.7
59.01380	8.1
59.25196	1.0
68.06950	1.0
71.01370	17.6
72.99334	1.2
75.00863	12.4
77.06029	1.1
85.02946	20.9
87.00851	8.5
89.02426	9.3
93.98379	1.1
95.01363	4.3
99.00871	7.9
103.00365	2.2
113.01656	1.6
113.02440	44.1
117.01913	5.2
126.96747	1.0
129.01906	4.3
135.04509	16.7
141.78688	1.1
161.02434	34.1
170.63287	1.0
175.02463	1.7
179.03488	18.0
207.05186	2.2
249.06129	10.3
253.07289	2.2
267.07227	81.5
293.50797	1.1
407.28076	1.1
429.10394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01379	12.3
69.03435	0.7
71.01378	18.2
72.99304	1.0
73.02923	0.9
75.00867	10.8
81.22977	0.5
83.01378	0.6
85.02477	1.1
85.02945	20.7
87.00868	8.4
89.02439	9.9
91.03979	1.0
95.01374	4.3
99.00867	8.1
99.75841	0.7
101.02406	1.2
103.00359	4.5
113.02438	50.6
115.00352	1.1
117.01929	3.4
128.20056	0.6
129.01973	2.6
131.03488	1.5
135.04517	21.5
151.82669	0.6
157.01393	2.5
161.02441	31.7
162.20262	0.6
175.02475	3.6
179.03481	16.6
205.07211	0.9
207.05109	4.0
249.06158	7.4
253.07190	3.6
267.07224	90.0
310.28888	0.6
429.10410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16071	1.1
57.03444	1.2
59.01382	15.5
60.66653	1.1
60.74665	1.0
61.98833	1.1
71.01382	17.6
73.02966	1.3
73.65961	1.0
75.00864	12.1
76.17042	1.1
84.52813	1.2
85.02958	20.4
87.00872	8.0
89.02450	12.6
89.02942	1.4
94.37723	1.1
95.01382	4.5
99.00871	6.1
101.02453	4.5
103.00381	2.4
109.55579	1.2
113.02451	54.9
117.01894	2.4
131.03497	2.2
135.04533	17.9
145.02950	1.4
149.04587	1.8
161.02460	28.9
164.04752	5.5
175.00342	2.6
175.02496	1.7
179.03485	16.0
190.02736	31.4
205.05063	31.8
205.06784	1.5
207.04910	1.5
223.06146	2.4
249.06180	10.5
253.07115	2.9
267.07242	90.2
387.28412	1.1
429.09811	100.0
429.14935	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85535	0.9
57.14643	0.7
59.01382	1.1
62.68973	0.9
63.28865	0.8
63.39750	0.8
66.28664	0.8
66.64533	0.8
79.58005	0.9
85.12950	1.0
97.02925	1.8
115.04009	5.3
123.00890	4.5
124.01646	20.2
125.02436	50.3
137.02440	5.0
149.99586	24.2
150.00687	1.8
151.00357	4.7
168.00639	92.8
169.01442	8.7
223.68819	0.9
245.46004	0.9
301.40317	1.0
304.97153	1.0
313.05658	1.7
414.37119	1.0
429.10431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04506	1.0
52.93436	1.0
53.96882	0.9
59.01385	13.2
66.83720	1.1
71.01379	16.8
72.99282	1.4
75.00865	9.9
80.00605	1.0
85.02935	18.9
87.00849	7.3
89.02428	12.1
95.01359	5.3
99.00864	5.4
101.02418	1.2
103.00342	1.8
113.02445	45.7
117.01883	2.6
133.02888	1.4
135.04526	15.6
161.01187	1.9
161.02432	29.6
175.02510	1.9
179.03539	15.4
179.18210	1.1
182.14548	1.2
191.05602	1.8
207.05179	2.1
211.68787	1.3
222.08887	1.3
249.06100	7.0
267.07214	81.7
429.10242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09490	1.0
54.39716	1.1
57.03455	1.7
58.70385	1.0
59.01378	18.7
61.55659	1.0
62.88007	0.9
66.19165	1.0
70.39726	1.0
71.01376	22.8
72.99306	5.0
73.02935	5.4
75.00860	10.5
84.04553	2.4
85.02946	22.9
87.00871	12.1
89.02441	15.3
94.02962	1.1
95.01386	7.9
99.00866	9.2
100.04073	2.2
101.02445	8.2
103.00372	5.0
109.28458	1.1
113.02444	54.7
115.00368	2.1
117.01929	1.8
128.03525	1.0
129.01971	1.9
135.04500	6.8
149.05864	1.2
151.03984	2.8
161.02438	31.6
165.05542	10.6
175.02490	1.4
179.03506	7.7
193.03499	1.4
207.04999	2.8
207.06691	7.5
220.09740	2.1
221.10097	2.2
223.11086	1.5
225.64828	1.2
249.06215	5.0
249.09741	2.5
251.70282	1.2
253.07195	1.8
267.07181	100.0
301.52332	1.2
348.82181	1.2
429.10431	96.8
429.15765	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39653	0.8
59.01387	13.7
61.98804	1.0
71.01385	15.8
75.00864	9.4
76.95697	0.8
85.02947	19.4
87.00867	8.4
89.02440	8.9
95.01383	4.3
99.00874	7.9
101.02443	1.2
103.00342	2.0
103.01908	1.0
113.02446	48.7
117.01970	3.9
124.86841	1.0
129.01950	2.1
131.03490	1.4
135.04523	18.9
157.01471	1.3
161.02441	30.9
175.02452	1.7
179.03477	13.7
207.05029	2.0
219.09140	1.0
249.06160	6.4
253.07213	1.9
267.07233	87.3
429.10449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79485	1.2
59.01376	15.1
71.01375	20.3
75.00843	10.7
78.21135	1.3
85.02959	16.0
87.00842	7.1
89.02462	12.7
95.01305	3.3
97.68328	1.8
99.00861	6.9
101.02374	2.1
113.02446	51.5
115.00356	1.7
115.03947	3.0
117.01933	2.4
119.39808	1.5
121.02927	11.6
122.03719	7.3
123.04565	1.6
124.01648	22.7
127.04018	1.9
129.01875	1.6
131.03453	2.3
134.03656	1.9
135.04506	22.4
139.04001	7.1
145.02849	1.7
150.03136	1.5
151.04005	3.5
161.02451	29.0
161.04478	2.1
168.04221	3.4
169.05070	94.7
175.02328	7.0
178.02644	1.9
179.03474	13.4
193.05002	7.6
249.06110	7.3
253.06987	2.0
267.04535	3.5
267.07220	81.7
313.09155	1.9
331.10382	23.1
404.86838	1.7
429.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01379	10.2
63.20185	0.7
71.01011	1.2
71.01376	18.4
72.88777	0.7
75.00871	10.4
78.13520	0.7
83.01390	0.8
85.02939	17.8
87.00861	7.1
89.02435	9.2
91.03989	0.9
95.01369	3.4
99.00865	7.3
101.02398	0.9
103.00350	3.5
113.02437	47.4
115.00368	1.6
117.01904	3.0
129.01933	1.3
130.89836	0.7
131.03481	0.9
133.02942	1.4
134.03751	1.3
135.04536	19.3
145.03001	1.4
153.01901	1.7
161.02441	33.1
168.04155	1.0
175.02493	1.6
179.03514	13.7
207.05109	3.8
249.06094	7.5
253.07240	1.2
267.07220	85.4
281.05460	0.8
409.67102	0.8
429.10349	100.0
432.61957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
71.01381	0.8
79.96181	0.5
81.03410	0.7
85.02946	0.7
95.01420	0.7
97.02943	3.0
98.58908	0.7
113.02460	0.8
115.04002	2.8
123.00881	4.2
124.01668	20.9
125.02451	48.9
125.62469	0.6
131.23001	0.6
137.02448	3.8
149.02422	0.7
149.99582	19.5
151.00406	4.4
167.03436	2.3
168.00645	85.3
169.01437	7.9
183.20663	0.6
259.19366	0.7
292.99292	0.7
313.05542	1.2
381.86392	0.6
411.09753	0.8
419.92371	0.6
429.10440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67459	1.2
59.01376	11.7
71.01380	20.1
75.00867	8.6
78.34605	1.4
79.15559	1.9
85.02954	18.7
87.00869	8.8
89.02438	12.1
95.01396	3.1
99.00873	7.3
101.02441	2.1
103.00333	2.3
112.36603	1.9
113.02451	45.1
114.17282	1.8
115.89598	2.0
117.01900	2.5
129.01921	3.1
135.04514	16.1
161.01413	1.7
161.02463	28.6
179.03506	14.1
185.38008	1.7
207.05038	3.4
249.06088	3.5
267.07211	74.0
421.26395	1.9
429.04532	3.4
429.10327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49816	1.2
59.01377	1.8
61.98827	4.0
69.59161	1.4
74.88757	1.5
95.02499	7.7
96.95975	2.7
99.00875	11.2
101.96448	1.6
112.76711	2.0
113.47086	1.7
116.05045	22.1
144.04538	2.4
145.02942	25.0
171.10304	5.8
172.04042	17.3
183.05602	6.2
184.66560	1.7
187.55800	1.7
199.05136	100.0
201.06679	24.3
211.13445	9.4
217.06174	2.5
225.06670	9.8
227.04623	2.3
228.07787	3.7
229.14519	2.7
255.06425	3.0
256.07227	26.3
262.02954	1.6
329.23386	22.4
342.12775	2.0
385.13071	76.0
393.21738	2.1
429.12073	33.6
429.24753	7.7
429.30292	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18079	0.6
56.94302	0.6
59.01380	1.7
62.22935	0.7
62.51050	0.7
67.27828	0.6
75.00839	0.9
80.05073	1.2
82.09675	0.6
108.92995	0.7
113.02435	11.6
117.03441	1.2
134.06174	1.1
145.02977	12.0
171.10358	1.2
174.08002	4.6
187.08734	1.4
196.72226	0.7
200.10986	1.1
227.11905	100.0
243.12299	0.9
245.12949	7.9
250.92043	0.9
264.97568	0.8
271.10919	27.4
315.09924	43.6
334.93942	0.8
409.99020	0.8
410.45105	0.9
416.94641	0.9
424.18295	0.8
429.15088	4.0
429.20480	2.3
429.25107	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23040	0.6
59.01382	8.3
75.00863	4.8
77.44845	0.6
80.05054	3.3
113.02451	9.9
130.03542	0.6
134.06133	1.4
174.08041	4.4
175.08766	1.3
175.62852	0.7
187.08751	1.4
198.11829	0.6
199.12413	1.1
200.10883	1.0
227.11919	100.0
231.73503	0.6
237.22588	0.7
245.12907	8.4
271.10938	27.9
315.09900	39.8
329.44550	0.6
366.14154	0.6
429.12262	3.4
429.21201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.82026	0.5
62.19572	0.5
71.01384	0.8
73.77842	0.6
75.00869	10.3
80.83426	0.7
82.08180	0.7
88.01074	0.6
89.05614	0.6
105.01927	3.1
113.02459	1.2
115.04024	0.6
116.59436	0.6
123.34469	0.6
126.80896	0.6
134.03737	31.5
137.02477	1.2
149.06093	20.1
161.02449	3.6
169.05112	0.7
178.02721	39.4
179.03470	1.5
181.05032	0.9
191.05701	2.8
193.05070	100.0
211.87772	0.7
219.84233	0.6
267.05170	1.3
267.08047	1.3
308.70859	0.6
429.14517	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
57.98254	1.6
59.01382	100.0
61.24041	1.7
64.16763	1.8
71.01377	43.1
72.99299	2.2
83.40870	1.7
85.02946	16.5
87.00883	4.3
89.02437	53.4
95.01365	3.4
101.02450	27.4
113.02444	31.0
119.03481	24.7
135.04501	3.1
146.03758	10.6
161.02368	7.0
161.04587	2.3
161.06082	4.7
164.04781	9.3
179.05629	7.1
179.07129	52.8
222.46481	2.2
236.16313	2.0
249.08070	16.7
267.07245	22.3
395.45544	2.1
407.89420	2.2
429.09653	12.4
429.14899	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56118	0.6
58.98048	0.7
59.01382	0.8
60.18237	0.6
71.01391	6.9
72.71924	0.6
73.02931	3.0
81.29935	0.7
85.02955	3.2
91.43272	0.6
97.02956	1.7
100.06252	0.8
101.02447	4.3
110.00121	1.0
113.02422	5.4
115.04002	6.3
135.00488	0.8
137.99586	1.1
139.00369	7.9
152.01218	0.9
153.01941	100.0
154.02740	26.2
159.02998	1.4
161.04561	21.5
167.03490	1.8
168.04277	40.4
169.03632	1.5
169.05072	41.9
331.10501	3.5
428.62125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65924	0.5
56.56066	0.4
56.86728	0.4
59.01374	0.7
65.27387	0.4
71.01385	4.4
73.02960	1.0
80.62979	0.4
83.78780	0.5
84.07623	0.5
85.02964	4.0
97.02940	3.0
97.49635	0.5
101.02424	3.3
110.00106	0.6
113.02430	4.1
115.03999	10.1
125.02450	2.0
137.99600	2.3
139.00389	5.2
140.01189	0.7
143.09154	0.5
147.38335	0.4
152.01158	2.7
153.01935	100.0
153.54272	0.5
154.02722	18.3
155.03543	1.0
159.02910	0.5
161.04561	14.5
167.03520	6.0
168.04279	46.0
169.05060	34.0
170.23878	0.6
179.03479	0.5
297.61844	0.5
304.76331	0.5
331.10361	10.8
376.82767	0.5
429.14047	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52357	0.6
51.47312	0.6
53.47832	0.5
59.01351	0.8
63.48424	0.7
119.43819	0.6
123.14030	0.7
134.03749	31.0
137.02444	3.2
139.04111	0.8
140.94104	0.7
149.06090	19.4
178.02731	44.5
193.05080	100.0
193.45386	0.8
193.47108	0.6
429.14178	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
54.95788	0.3
59.01391	3.4
60.20877	0.4
62.24215	0.4
63.91669	0.3
71.01386	4.3
73.02943	2.2
75.00861	0.7
80.63397	0.4
83.01355	0.9
85.02944	3.1
87.00885	0.5
89.02412	0.7
95.01405	0.4
98.98199	0.4
99.00851	0.7
101.02457	6.8
113.02455	3.3
120.86787	0.4
135.04517	0.6
147.00864	1.6
147.04518	0.6
149.02441	4.8
152.01115	0.4
153.05563	0.5
161.04524	1.6
163.04027	3.5
164.04802	11.6
169.05064	0.8
175.00351	9.5
179.07123	0.7
180.85669	0.4
190.02734	75.4
191.03403	0.6
191.20694	0.4
205.05074	91.3
207.03061	0.8
207.06674	0.7
208.03801	2.7
209.04572	2.7
223.06165	8.2
229.98201	0.4
251.05623	0.7
327.93436	0.5
394.81152	0.5
399.09341	3.9
414.11780	2.1
429.14075	100.0
440.49469	0.4
445.72586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45147	1.5
57.03485	1.7
59.01384	100.0
60.88947	1.7
64.40515	1.6
65.14000	1.6
71.01379	42.8
72.99319	3.4
73.02973	1.9
73.53928	1.4
83.01370	1.6
85.02966	11.4
85.62264	1.7
87.00864	22.8
89.02442	81.3
95.01400	3.6
101.02436	27.4
102.38290	1.8
102.50620	1.7
113.02450	23.5
119.03501	30.6
123.04498	3.9
125.02435	2.2
135.04559	3.0
146.03831	3.2
149.06142	2.0
151.04019	25.9
161.02481	2.7
161.04622	3.1
161.06052	5.8
164.04875	8.7
169.01530	8.2
169.05127	3.8
179.03616	11.1
179.05653	9.6
179.07230	34.2
195.06709	2.3
236.58278	1.7
245.91591	1.7
249.07869	17.8
344.15082	2.0
429.14438	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
50.45147	1.5
57.03485	1.7
59.01384	100.0
60.88947	1.7
64.40515	1.6
65.14000	1.6
71.01379	42.8
72.99319	3.4
73.02973	1.9
73.53928	1.4
83.01370	1.6
85.02966	11.4
85.62264	1.7
87.00864	22.8
89.02442	81.3
95.01400	3.6
101.02436	27.4
102.38290	1.8
102.50620	1.7
113.02450	23.5
119.03501	30.6
123.04498	3.9
125.02435	2.2
135.04559	3.0
146.03831	3.2
149.06142	2.0
151.04019	25.9
161.02481	2.7
161.04622	3.1
161.06052	5.8
164.04875	8.7
169.01530	8.2
169.05127	3.8
179.03616	11.1
179.05653	9.6
179.07230	34.2
195.06709	2.3
236.58278	1.7
245.91591	1.7
249.07869	17.8
344.15082	2.0
429.14438	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55200	0.5
50.65113	0.5
53.02611	0.6
57.29051	0.5
59.01381	3.6
62.35310	0.5
71.01389	2.3
80.97893	0.5
85.02958	1.0
86.39106	0.5
87.00867	0.8
89.02437	2.8
91.42856	0.6
92.23092	0.7
93.03481	1.0
93.27857	0.7
101.02438	3.4
108.15474	0.6
113.02456	2.2
117.03451	6.8
117.89622	0.5
119.03500	2.5
119.05007	15.9
121.05046	2.9
145.02948	100.0
153.01990	0.8
163.04007	31.4
168.04320	0.6
169.01408	0.8
169.05116	0.7
179.39836	0.5
184.57352	0.6
201.87540	0.6
202.07558	0.6
205.05055	2.9
267.07129	1.4
316.44196	0.6
429.14142	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40359	2.0
63.50214	2.1
85.65800	2.4
89.43629	2.2
96.96907	2.7
99.46362	2.6
99.92580	48.3
100.90433	4.4
100.93359	41.3
111.08169	2.4
115.92071	55.0
116.92851	100.0
158.22736	2.4
163.55449	2.9
173.08258	2.6
187.09807	3.0
251.07549	2.8
287.02133	4.5
293.05023	8.6
375.12735	5.8
393.13818	34.6
407.11389	4.4
411.14688	5.2
429.15952	98.8
429.29742	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.75207	1.6
71.01374	10.5
83.01360	1.9
84.17764	1.6
85.02966	2.6
87.00871	9.0
89.02467	18.5
93.35876	1.8
93.91109	1.7
94.72299	1.8
95.62689	2.2
97.06580	4.2
101.02415	2.4
107.05041	11.6
113.02460	4.4
119.03520	2.7
135.04552	2.6
135.08150	2.0
161.09708	16.9
161.13403	2.7
168.74336	2.0
170.39876	1.8
187.11247	18.7
189.09283	2.7
207.10303	4.5
223.13396	44.3
249.11237	3.0
267.12393	84.9
357.88257	1.9
429.17697	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
59.29043	1.4
60.27084	1.1
60.75120	1.2
68.85998	1.5
71.01372	15.5
73.72198	1.3
84.93880	3.3
88.24933	1.3
92.22469	1.9
99.00901	1.7
99.92580	22.6
100.93354	63.6
106.45115	1.5
115.92073	79.3
116.92014	3.5
116.92854	100.0
126.94920	2.8
154.94431	15.0
172.95485	27.6
224.47423	1.5
224.82860	1.8
227.11809	1.5
255.23335	11.6
284.35461	1.6
429.19507	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1952
Annotation	Ptilosteroid C
Peak:m/z	Relative Intensity
54.28708	0.2
55.01883	0.5
59.01383	1.3
71.01353	0.2
80.71915	0.2
90.43273	0.3
93.03519	0.4
97.76609	0.3
98.95393	0.3
99.00348	0.3
99.00874	20.2
99.92587	4.5
100.93357	53.8
107.85754	0.3
113.41608	0.3
115.92069	100.0
116.92850	8.7
120.45941	0.3
132.92336	0.6
142.94397	0.6
144.53061	0.3
154.94424	0.4
155.95247	1.1
172.95479	6.6
173.04669	0.4
196.90453	0.3
255.23256	2.7
326.09650	0.3
355.15976	0.7
358.05804	0.3
371.15616	0.3
377.42325	0.3
381.17630	2.0
399.04428	0.3
411.18509	0.5
429.19519	34.3
429.29230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2053
Annotation	Sinensol B
Peak:m/z	Relative Intensity
59.01365	5.7
61.98825	1.5
71.01379	1.6
73.02908	1.7
78.95890	2.1
92.23094	1.6
93.03417	1.8
94.26620	1.4
99.00858	7.9
109.06570	2.1
115.71349	1.3
118.56387	1.2
125.09678	1.5
127.11262	1.6
139.11293	2.4
150.46947	1.5
152.99582	39.0
171.10281	14.7
183.13907	52.3
201.11386	15.6
207.10100	1.6
211.13371	11.1
224.13313	1.3
235.17049	5.3
235.80902	1.4
265.21616	1.8
275.20190	14.1
293.21271	63.6
303.20526	1.5
329.23416	36.1
411.21689	1.7
415.57187	1.6
429.20398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13943	0.5
51.26258	0.6
57.77938	0.7
59.01384	100.0
71.01375	10.3
72.32521	0.7
73.02949	0.7
79.03365	0.7
85.02959	3.6
87.00872	1.2
89.02435	18.4
95.01417	0.8
96.96020	1.4
101.02435	7.9
113.02427	6.5
119.03506	7.0
137.09740	1.4
143.03474	0.9
161.04549	3.2
179.05605	12.2
197.05943	0.7
240.12909	0.7
297.13376	1.4
297.43622	0.9
342.25107	0.7
354.57230	0.7
429.17517	4.0
429.22211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Dendroside F
Peak:m/z	Relative Intensity
59.01387	100.0
71.01373	12.1
73.02957	1.4
75.91520	0.7
85.02950	1.8
87.00881	1.0
89.02444	19.9
95.01406	0.9
101.02448	8.2
111.04514	1.4
113.02442	7.3
119.03503	8.4
137.09734	3.4
143.03485	1.3
155.03392	0.8
161.04547	4.4
163.75940	0.8
179.05614	12.8
211.32906	0.8
267.12445	1.6
273.17294	0.8
429.16907	1.1
429.21478	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07211	0.7
58.29153	0.7
58.53786	0.8
59.01370	1.6
61.98845	0.9
70.52609	0.8
71.01012	1.7
71.01378	36.0
72.99306	11.3
78.95908	0.8
82.73112	0.7
86.04277	0.8
87.00858	1.3
95.55035	0.8
96.95990	1.1
113.09720	1.0
115.00368	9.9
125.09712	1.5
127.11280	1.8
131.25848	0.8
139.11217	0.9
149.06087	4.0
155.10771	1.6
157.12343	1.4
165.09152	1.5
171.10245	7.4
183.10124	1.3
188.16727	0.8
199.09718	1.4
201.11339	66.1
277.21695	8.0
293.21362	3.7
295.22769	6.0
311.22314	1.3
313.23883	100.0
411.24017	7.9
429.20578	2.5
429.25012	44.1
429.93250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42747	1.3
59.01382	100.0
61.83039	0.8
63.96248	3.9
68.38155	0.9
71.01376	18.5
72.99307	2.2
77.13312	1.1
110.19793	1.1
115.00368	5.2
129.09195	8.2
137.53632	1.0
155.05486	1.3
183.13924	13.5
187.69901	1.2
195.14026	2.1
217.27505	1.1
244.06134	1.1
275.12491	1.2
295.19174	9.2
295.22806	6.4
313.23914	32.3
411.23923	1.2
429.24908	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81684	0.9
58.09654	1.1
58.34348	0.8
59.01376	7.6
71.01375	30.1
72.99303	7.3
74.98838	1.0
96.96007	1.4
99.08159	7.1
115.00371	11.4
119.62743	1.0
129.09207	20.0
158.94479	1.3
183.13884	41.8
195.13919	5.3
201.11436	1.3
221.03386	1.1
277.21695	4.9
293.21329	1.8
295.22827	16.3
313.23883	100.0
341.61575	1.3
411.23755	2.5
429.24976	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97736	0.8
53.09967	0.9
55.01886	1.4
57.03456	1.7
59.01394	4.0
62.11169	0.9
65.14030	1.1
71.01403	1.4
72.97525	1.9
73.02934	1.5
83.41166	1.0
89.64940	1.0
96.96011	2.2
99.00874	48.5
99.08162	5.5
99.92574	1.2
113.02434	1.0
115.92105	1.8
116.92844	1.8
117.01944	7.2
124.98859	0.9
127.11303	1.4
139.11256	12.0
143.73206	1.2
155.31905	1.2
163.23999	1.1
171.10254	35.4
183.13867	1.7
195.89502	1.0
197.11740	1.4
199.05153	1.9
201.11293	1.5
211.13399	27.3
229.14465	15.0
267.19656	1.7
293.21460	2.4
329.23395	100.0
429.16125	3.4
429.25058	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.265
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
52.06073	2.0
55.48943	1.6
59.01382	49.8
62.31908	1.7
63.14729	1.9
76.20143	1.9
92.22413	2.6
109.06585	4.1
121.10214	10.2
146.17581	1.9
171.10260	15.6
175.13765	1.9
183.13908	49.3
211.13429	8.2
275.20187	23.3
293.21262	100.0
308.68411	2.5
324.22711	2.0
365.80679	2.3
429.26508	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06073	2.0
55.48943	1.6
59.01382	49.8
62.31908	1.7
63.14729	1.9
76.20143	1.9
92.22413	2.6
109.06585	4.1
121.10214	10.2
146.17581	1.9
171.10260	15.6
175.13765	1.9
183.13908	49.3
211.13429	8.2
275.20187	23.3
293.21262	100.0
308.68411	2.5
324.22711	2.0
365.80679	2.3
429.26508	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.265
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.95568	0.6
56.46024	0.7
56.63896	0.6
59.12157	0.7
60.29623	0.8
83.05037	0.9
93.03442	5.3
97.50345	0.8
121.02953	33.2
123.04517	8.2
125.06063	1.8
139.04015	23.9
149.02434	25.6
167.02065	1.2
167.03500	34.8
179.94884	0.9
185.40115	0.8
186.58519	0.9
228.68694	0.9
255.23164	0.8
272.79333	0.9
279.23309	58.5
299.45688	0.8
423.75977	0.9
429.26529	100.0
429.33615	14.5
434.38708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80019	1.0
53.24973	1.0
53.59341	1.1
58.82351	1.0
59.01382	100.0
68.36789	1.4
77.91248	1.1
94.81252	1.2
101.11766	1.3
118.16232	1.4
152.99490	1.6
171.10274	1.5
176.64362	1.2
216.57568	1.3
262.80579	1.5
263.69437	1.4
408.54410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10693	0.9
53.01066	0.8
59.01383	100.0
63.60907	1.0
63.75517	1.0
91.26124	1.3
94.16290	1.3
94.44745	1.0
94.48076	1.0
96.99762	1.2
108.05364	1.2
116.75084	1.2
195.13867	1.1
295.22791	9.0
353.69830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
80.55974	0.7
91.04012	1.9
125.65490	0.8
159.79640	0.8
195.13965	1.6
219.79295	0.8
264.15808	0.7
277.21921	2.5
295.22809	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.86689	1.1
67.26098	0.9
103.26413	1.0
143.79173	1.1
171.10255	1.3
234.96004	1.1
263.90967	1.2
268.78616	1.1
277.21698	2.2
295.22845	12.0
313.62619	1.1
391.45752	1.3
431.26813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62389	1.2
59.01383	100.0
62.26069	1.7
82.13519	1.6
88.82531	1.5
93.30740	1.5
106.87342	1.5
112.65242	1.7
151.32101	1.7
227.16776	1.7
343.29364	2.1
429.64087	1.7
444.68091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88552	1.0
59.01384	100.0
65.44292	1.0
66.33466	1.0
68.78889	1.1
121.10222	1.9
131.48994	0.9
158.12071	1.2
171.10274	3.9
183.13943	2.1
195.74490	1.2
275.20071	4.6
293.21222	11.5
295.22803	7.0
333.89417	1.2
429.26569	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86846	0.7
59.01382	100.0
60.80283	0.8
96.96033	1.2
112.74933	0.8
114.93221	1.0
115.64963	0.9
115.91106	1.0
123.34441	0.9
143.84119	0.9
171.10220	1.3
251.32004	0.9
266.56033	0.9
277.21732	1.6
295.22781	6.2
389.79721	1.0
429.29764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31144	0.6
53.53316	0.7
54.80515	0.6
55.82215	0.7
59.01381	3.3
59.72358	0.6
61.09970	0.7
67.01896	1.2
71.01367	1.5
76.99848	0.7
81.83559	0.7
83.05019	0.8
87.32064	1.0
93.03452	17.2
109.46014	0.7
109.83868	0.7
111.04514	5.8
137.02434	4.7
155.03473	5.9
173.04539	100.0
200.80344	1.2
244.36128	0.9
255.23302	36.6
322.47296	0.9
380.33255	1.1
429.28650	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33083	0.3
59.04941	0.3
62.36720	0.3
64.95936	0.4
65.46378	0.3
71.50121	0.3
73.02943	0.5
73.57172	0.4
78.15350	0.4
93.03456	3.0
99.04527	0.8
100.78786	0.4
103.86490	0.4
111.04510	3.4
134.09343	0.4
137.02478	0.6
143.03456	1.5
155.03500	4.2
163.02571	0.4
173.04535	7.6
187.98181	0.4
191.05623	2.2
213.13029	0.4
218.00044	0.4
255.23315	100.0
292.58640	0.4
328.45944	0.5
374.30240	0.4
429.28613	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
59.01398	0.9
60.99312	1.5
62.64466	0.8
67.01882	6.5
71.01372	4.1
74.45514	1.0
75.00893	1.2
75.28373	0.9
85.02935	1.6
87.00873	13.2
87.14208	0.9
93.03450	54.4
109.02951	11.5
110.03271	2.3
111.00897	1.0
111.04530	8.9
113.48930	0.9
129.01939	6.3
147.03011	1.5
155.03462	1.7
162.38255	1.0
163.07745	1.7
173.04564	20.6
191.05672	10.0
222.49069	1.1
255.23297	9.2
281.24899	32.0
374.26068	1.1
393.59122	1.1
429.28592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15488	0.4
57.02126	0.5
57.03446	1.2
59.01388	3.8
61.45818	0.4
66.85014	0.5
67.01900	0.5
71.01376	3.1
72.99295	1.3
75.00864	11.4
85.02929	2.8
93.03436	1.0
99.00869	6.3
101.02399	1.0
102.80585	0.5
110.71015	0.5
117.01872	0.6
129.01944	3.1
133.11050	0.5
134.24313	0.5
135.12291	0.6
147.02998	10.0
163.07642	3.3
165.04057	1.3
173.04544	0.7
209.10437	0.6
255.23431	1.9
266.73792	0.5
278.22421	0.6
281.24887	100.0
429.28644	63.1
429.37747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.2
61.85284	5.4
71.01387	5.1
96.96001	32.6
102.04936	6.4
110.24960	5.3
111.94248	5.7
127.17805	5.4
129.67763	5.8
130.83041	5.2
138.89458	5.3
141.17236	6.3
152.99551	13.8
154.98851	5.5
173.32518	5.5
185.11800	12.1
192.46526	5.9
239.26334	5.3
289.56638	5.5
293.21240	100.0
313.23779	13.0
392.90231	5.7
393.13132	5.8
429.20151	55.2
439.11887	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.2
61.85284	5.4
71.01387	5.1
96.96001	32.6
102.04936	6.4
110.24960	5.3
111.94248	5.7
127.17805	5.4
129.67763	5.8
130.83041	5.2
138.89458	5.3
141.17236	6.3
152.99551	13.8
154.98851	5.5
173.32518	5.5
185.11800	12.1
192.46526	5.9
239.26334	5.3
289.56638	5.5
293.21240	100.0
313.23779	13.0
392.90231	5.7
393.13132	5.8
429.20151	55.2
439.11887	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72810	1.2
57.53671	1.4
61.98832	100.0
66.63071	1.4
67.81881	1.4
111.14756	1.8
130.52863	1.6
171.50101	1.5
222.36180	1.6
275.17392	1.7
351.11270	1.6
411.50244	1.9
429.29541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76047	1.0
54.19024	1.0
57.16896	1.0
58.29028	1.6
61.98833	100.0
65.05095	1.1
76.29794	1.3
185.19711	1.4
225.60445	1.4
255.23337	1.6
324.94281	1.5
429.25137	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	2.5
59.01379	18.4
63.74954	1.2
67.99080	1.2
72.04555	1.3
74.02468	26.5
87.05634	45.6
98.02464	5.4
98.06104	1.0
99.05634	54.4
104.03535	6.8
104.51687	1.2
108.02190	1.2
115.05158	1.3
116.03532	1.2
117.05981	1.7
117.06683	13.8
129.06685	18.0
131.04590	4.9
141.06712	17.6
159.07745	2.1
173.05684	10.2
194.79288	1.3
253.21556	1.2
292.98566	1.4
399.28607	7.3
411.28580	1.4
429.23206	6.2
429.29721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3013
Annotation	7alpha-Hydroxy-3-oxo-4-cholestenoate
Peak:m/z	Relative Intensity
56.27779	0.5
56.94374	0.4
57.03431	1.0
59.01371	2.3
59.98302	0.4
66.13532	0.5
67.48124	0.5
68.70216	0.5
68.76171	0.5
69.03437	0.8
73.54049	0.5
75.12647	0.5
81.03426	0.7
90.01250	0.5
99.00868	7.6
99.92574	4.5
100.93358	49.3
107.05022	13.1
109.06580	22.1
115.92066	100.0
116.92856	8.1
121.06512	0.7
127.56480	0.6
163.07597	0.6
172.95485	6.4
208.61980	0.6
226.52625	0.5
255.23343	3.0
257.47946	0.6
259.20755	4.4
261.22238	3.3
275.23788	4.5
277.25385	11.5
322.05820	0.6
357.28009	5.3
367.30066	7.9
369.28018	3.2
370.28818	13.2
385.31137	41.1
411.18301	0.7
429.19794	29.0
429.30096	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3013
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
71.83021	0.4
79.29675	0.4
88.00318	0.5
117.53273	0.5
133.02953	4.2
134.03735	6.2
135.04518	8.6
137.02425	4.2
139.03967	0.7
161.02434	20.6
178.02769	1.8
179.03496	9.2
202.20578	0.5
272.41483	0.6
357.31558	2.9
363.15369	0.6
429.30078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44408	2.3
58.89463	2.2
68.74331	2.4
90.18839	3.0
96.95993	25.4
97.27279	2.3
99.91576	2.4
105.03391	2.8
112.02174	3.2
121.02902	4.0
130.08836	2.6
133.03020	2.9
133.72835	2.4
162.02005	4.3
163.00337	22.2
175.02756	5.1
176.03496	2.8
178.02739	3.8
192.06613	4.3
204.03038	4.2
269.04599	3.6
350.03229	3.0
355.08170	3.2
380.07782	21.9
398.08829	100.0
430.05618	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63395	1.1
57.29711	1.1
62.69888	1.0
71.01386	2.7
72.32199	1.6
85.02959	5.6
87.32249	1.3
97.02954	2.5
101.02439	1.8
113.02462	5.5
115.03976	8.4
116.04334	1.8
123.38592	1.3
137.99559	2.2
139.00378	5.8
152.01195	1.6
153.01938	100.0
154.02257	57.9
155.03056	9.8
161.04573	15.0
162.04887	6.6
167.03490	8.8
168.04274	35.3
169.04793	44.3
170.05423	20.9
221.46553	1.4
231.13000	1.4
293.57568	1.4
331.10419	2.5
332.10580	10.4
430.14407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.9
59.36034	0.5
71.01378	5.6
73.02952	1.1
79.41618	0.5
85.02943	1.2
89.02435	3.1
94.29269	0.7
95.01408	0.8
99.00873	0.7
101.02440	4.7
110.02449	1.4
110.83682	0.5
112.04038	7.2
112.71711	0.6
113.02422	2.6
119.03481	0.9
122.06078	1.0
124.04031	3.5
140.07167	1.3
147.86157	0.6
161.04576	1.0
166.05093	100.0
184.06180	4.5
263.11343	0.9
390.85922	0.6
430.17181	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21030	1.1
57.29203	1.4
58.30967	1.1
59.01385	34.8
64.87704	1.2
67.79705	1.2
71.01378	29.0
72.05305	1.2
73.02946	5.6
73.38590	1.3
75.00883	3.1
84.21870	1.3
85.02947	11.6
87.00880	1.8
89.01939	2.2
89.02441	35.7
94.71612	1.4
95.01381	2.2
98.82804	1.3
99.00901	2.5
101.02439	23.6
109.09406	1.3
113.02448	23.4
114.02782	2.5
119.03452	13.3
135.04515	3.5
135.94174	1.4
161.02448	6.6
161.04555	10.3
162.02754	2.3
179.05679	10.0
189.12917	1.5
193.12227	1.4
225.14993	10.0
267.07150	13.7
268.07571	11.0
275.96783	1.3
308.06995	1.6
327.03876	1.8
346.05215	1.5
387.20316	100.0
430.10928	26.4
430.20776	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06777	0.6
52.80622	0.6
55.68006	0.6
61.98831	100.0
71.42208	0.6
74.14954	0.7
83.05025	0.9
93.03423	1.2
101.19697	0.7
158.89429	0.8
279.23312	16.6
282.25262	1.3
367.24884	5.7
401.08017	0.8
430.28961	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2812
Annotation	Fumifungin
Peak:m/z	Relative Intensity
58.00607	1.1
59.01386	11.5
61.98828	1.5
62.54337	1.1
73.02943	6.6
80.32653	1.2
88.04031	21.0
90.94034	1.2
100.07648	1.4
114.05595	9.3
132.06670	9.0
144.06660	23.5
152.99904	1.5
223.20602	5.2
253.21809	1.8
275.87570	1.4
314.24399	1.5
386.29199	6.8
411.85767	1.5
412.27240	2.0
417.88251	1.5
430.28214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.9
70.02977	4.9
71.01374	5.0
72.99306	3.2
73.02953	14.0
74.02473	9.4
80.55595	2.1
86.02488	5.2
88.04032	3.1
96.00925	69.8
98.02470	31.7
98.03740	8.8
112.04054	11.9
114.01967	11.6
114.05603	12.1
116.03528	36.7
124.04023	3.9
128.03531	5.2
140.03545	4.2
149.47852	2.2
152.37444	2.1
189.31445	2.6
192.51276	2.1
206.30530	2.6
216.57533	2.3
232.75177	2.4
247.63669	2.4
253.21875	10.9
265.21817	27.8
279.51862	2.3
295.17474	2.3
295.22842	4.1
364.25095	8.6
370.25891	4.4
394.26044	48.6
408.92770	2.7
412.27127	28.8
415.59064	2.5
430.23584	4.5
430.28152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30343	0.4
58.02976	0.5
62.63909	0.4
63.25120	0.4
64.90023	0.5
65.87740	0.5
70.54367	0.4
89.11005	0.5
121.02927	2.1
123.04511	2.6
123.98307	0.6
148.04060	2.1
149.04817	8.9
150.05603	23.0
176.03552	1.9
183.81160	0.5
187.88455	0.5
197.32008	0.5
306.85483	0.5
394.27475	1.0
412.28619	100.0
430.29648	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91138	0.3
59.01372	2.3
71.01365	1.7
72.99254	0.3
89.02438	0.6
101.02415	0.5
113.02409	0.6
125.09793	0.5
126.27160	0.3
139.98006	0.4
143.07117	0.5
151.12473	0.3
172.03148	0.4
187.87122	0.3
253.21709	2.5
269.21307	2.8
373.03580	4.7
387.08807	0.7
396.14355	0.4
401.02994	1.4
403.07974	0.8
415.04599	12.6
416.05457	12.3
428.98596	0.4
431.07751	100.0
431.26489	12.3
457.24277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0776
Annotation	Kaempferol 3-p-coumarate
Peak:m/z	Relative Intensity
51.41214	0.3
53.79811	0.3
64.96603	0.4
67.25208	0.3
71.60967	0.3
90.93557	0.3
101.26728	0.3
109.07455	0.3
119.74299	0.3
120.79240	0.3
121.07614	0.3
279.18237	0.3
359.05820	0.4
373.03537	6.5
387.08932	1.7
389.07187	0.4
399.05106	0.7
401.03003	1.7
403.08179	1.6
415.04636	13.4
416.05399	11.2
431.07767	100.0
440.73288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60751	0.9
58.13207	1.0
59.01377	1.8
59.60820	0.9
65.00871	1.0
71.01359	1.9
81.57443	1.1
84.70519	1.1
95.01390	2.3
109.02953	3.0
123.00859	2.7
125.02422	11.2
139.04010	1.6
149.99564	12.9
151.00414	1.5
153.01917	2.7
154.02681	1.4
165.01924	39.1
166.02728	7.0
178.99837	1.1
179.03482	4.4
181.01463	2.4
181.05086	2.0
182.02235	10.7
193.01428	61.2
195.02989	1.6
196.03731	2.9
196.99217	2.0
197.00928	46.1
197.04593	2.4
207.02998	2.1
208.00043	1.6
209.00951	8.5
224.01250	1.7
224.03271	22.4
225.04053	39.0
237.00409	7.1
267.05096	5.1
284.56415	1.3
399.05576	8.0
403.08780	5.5
431.08325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60751	0.9
58.13207	1.0
59.01377	1.8
59.60820	0.9
65.00871	1.0
71.01359	1.9
81.57443	1.1
84.70519	1.1
95.01390	2.3
109.02953	3.0
123.00859	2.7
125.02422	11.2
139.04010	1.6
149.99564	12.9
151.00414	1.5
153.01917	2.7
154.02681	1.4
165.01924	39.1
166.02728	7.0
178.99837	1.1
179.03482	4.4
181.01463	2.4
181.05086	2.0
182.02235	10.7
193.01428	61.2
195.02989	1.6
196.03731	2.9
196.99217	2.0
197.00928	46.1
197.04593	2.4
207.02998	2.1
208.00043	1.6
209.00951	8.5
224.01250	1.7
224.03271	22.4
225.04053	39.0
237.00409	7.1
267.05096	5.1
284.56415	1.3
399.05576	8.0
403.08780	5.5
431.08325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1331
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
57.34727	0.5
59.01382	10.9
71.01380	13.2
73.02946	4.3
75.09508	0.5
81.06397	0.6
84.68143	0.5
85.02938	2.6
89.02435	17.4
91.16468	0.6
99.00864	8.4
101.02436	16.9
113.02440	9.2
119.03500	7.4
131.03496	1.3
135.04547	0.7
149.04543	0.8
152.59261	0.6
159.03012	0.9
161.04558	8.6
191.05630	1.4
263.11438	8.4
360.11200	0.7
395.15622	100.0
431.13272	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16417	1.2
51.75148	1.1
52.22712	1.2
59.01381	14.8
61.10441	1.3
62.39208	1.2
71.01389	1.8
75.00877	1.9
81.22138	1.3
89.02420	1.3
101.02505	1.5
102.62199	1.3
105.01927	19.5
109.41681	1.3
121.02933	1.3
123.08242	1.7
132.01654	1.3
139.04025	2.3
153.05638	1.9
160.01712	2.5
161.02455	37.5
173.02405	2.7
175.04042	16.6
176.04794	100.0
188.04832	2.7
190.06458	16.6
191.03555	11.4
191.07173	17.6
194.11098	1.4
203.07155	1.7
205.05045	23.4
206.05864	15.5
220.07397	2.2
221.08272	20.8
255.79675	1.4
268.07333	2.5
283.09720	6.1
296.07074	2.8
297.04086	5.9
308.06522	1.8
309.04034	2.2
311.09271	3.2
312.06418	11.1
324.06378	5.8
326.07898	6.6
327.08749	21.9
339.05017	2.7
339.08765	41.4
341.10480	7.0
342.11154	7.7
353.10406	2.4
354.11227	11.0
357.13492	88.4
369.13556	2.2
371.84692	1.5
387.14621	8.0
401.12225	14.1
413.12460	31.1
431.13797	2.8
431.22717	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1353
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.20108	0.7
51.05282	0.8
59.01110	1.0
59.01387	19.9
62.11030	0.7
73.07821	0.8
78.95934	0.9
89.15405	0.8
95.01633	1.0
125.09693	8.2
152.99614	1.6
173.08112	1.9
187.09752	7.9
201.11334	1.4
232.89307	0.9
243.12386	1.4
255.03023	1.2
255.06606	1.2
257.47562	1.0
267.03278	1.2
270.05353	7.8
282.05298	1.7
285.07718	33.1
297.07819	3.3
300.10059	32.6
315.12421	14.7
317.06668	3.8
329.06705	11.8
344.05023	0.9
344.09058	23.2
355.57910	0.9
359.11560	11.7
371.11533	0.9
389.12421	8.4
431.13538	100.0
431.22256	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1352
Annotation	Strobopinin 7-galactoside
Peak:m/z	Relative Intensity
59.01376	0.8
61.72737	0.2
62.55383	0.3
65.00356	0.2
90.57660	0.2
94.13253	0.2
96.96005	0.9
97.02944	0.3
121.02962	0.2
122.00074	0.4
136.01678	0.2
139.04033	1.0
152.99544	0.3
163.00383	1.1
165.00594	0.5
165.01926	8.3
171.04523	3.9
177.01929	1.2
178.02655	0.5
191.03537	0.4
223.07747	0.3
225.05547	1.3
226.06374	5.0
236.04831	1.2
251.07161	1.8
253.05048	1.6
254.05861	8.6
269.08215	100.0
293.08417	0.3
315.21765	1.0
345.95551	0.2
431.13559	8.6
431.22275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.7
65.61530	1.2
66.26009	1.0
67.03020	1.3
69.35661	1.0
70.67410	0.9
71.01373	1.7
73.97861	1.0
81.21183	1.1
95.02506	38.7
97.02924	1.4
115.03989	10.7
115.07633	1.7
116.05093	2.2
120.04534	1.3
123.01989	6.4
139.75679	1.1
144.36920	1.0
145.02858	1.3
152.04651	2.5
185.07196	5.1
197.07083	1.5
199.05165	10.8
200.05994	1.6
201.06715	100.0
212.08244	1.6
240.07787	4.7
257.07800	1.2
258.08868	47.8
326.13004	1.2
332.06778	1.1
335.21951	1.3
387.14645	41.2
410.18756	1.3
431.13629	87.2
431.22537	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
65.75195	2.0
88.98797	2.9
95.02510	32.8
96.96009	2.6
102.52975	1.9
116.05085	3.2
118.94224	2.3
123.01982	2.9
127.48877	1.8
135.06696	2.1
152.04646	2.7
185.07210	7.8
198.83691	2.0
199.05191	14.9
201.06714	100.0
212.08299	2.0
240.07741	4.1
254.83139	2.2
258.08841	46.5
269.04666	8.6
387.14691	37.8
431.13712	75.6
431.22742	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86600	0.2
55.85664	0.3
59.01377	1.7
71.01374	0.7
85.02959	2.6
87.00871	0.4
89.02440	11.1
93.03439	0.4
101.02445	0.6
102.05483	0.3
103.79947	0.3
111.83544	0.4
117.01881	0.4
127.04002	0.4
148.96698	0.3
169.24255	0.3
173.04617	0.6
190.29756	0.3
191.05627	100.0
211.80490	0.3
341.10815	3.4
403.45358	0.4
413.05753	0.8
431.13940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88776	0.5
57.03426	0.6
59.01384	32.4
59.01684	1.2
64.14262	0.5
71.01385	19.4
72.75298	0.6
73.02942	6.4
75.87662	0.7
80.94250	0.6
85.02950	4.5
85.42620	0.6
89.02443	41.8
92.22443	0.7
95.01379	2.6
99.00878	40.3
101.02441	17.4
113.02450	19.1
118.42310	0.6
119.03514	10.1
119.05003	12.5
122.22578	0.7
131.03461	4.9
137.06116	1.5
149.04576	7.7
160.86911	0.8
161.04539	3.6
170.06120	0.6
191.05656	8.4
198.78377	0.7
233.06702	0.9
244.86270	0.8
254.61415	0.7
299.11343	5.1
302.22845	0.7
316.45734	0.7
431.15649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66354	1.5
54.37689	1.5
55.55150	1.5
59.01380	100.0
64.70605	1.4
67.90565	1.4
71.01378	10.0
72.30638	1.5
72.99306	23.4
73.86654	1.6
75.68096	1.8
85.74734	1.5
89.02441	13.1
99.00880	7.6
101.02445	7.9
113.02417	3.7
119.03510	3.9
120.25290	1.6
123.04510	3.5
135.04538	7.5
161.02472	2.6
179.03526	24.4
194.05873	13.9
197.04552	23.2
209.08159	19.7
293.12686	1.8
431.11441	13.8
431.15659	23.4
454.73676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93078	0.5
53.32603	0.5
59.01384	100.0
71.01378	1.3
73.02959	0.7
99.00871	0.6
104.21360	0.6
105.01917	0.7
106.55859	0.7
114.66528	0.6
115.00401	1.1
126.01154	0.6
133.01427	4.1
153.05594	1.0
161.02440	3.0
176.04799	3.4
179.03488	2.7
191.07211	0.8
194.05856	9.0
209.08211	25.4
217.90260	0.7
221.06619	0.7
431.11063	1.2
431.15738	2.9
450.42386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35001	0.7
58.81352	0.8
59.01380	42.8
64.21423	0.7
65.62538	0.7
71.01376	28.3
72.99295	1.8
73.02945	1.7
83.01376	1.5
85.02937	5.2
87.00870	1.9
89.02439	60.6
97.34570	0.8
101.02444	19.8
113.02439	13.1
119.03517	9.5
119.04988	9.3
131.03500	29.9
135.04523	1.7
135.15337	0.8
137.06064	4.2
149.04584	7.5
162.06888	0.8
173.74785	0.9
179.03500	1.0
179.05632	1.6
191.05597	16.7
197.04567	1.8
204.04536	0.9
212.86227	0.9
227.86804	0.9
233.06689	4.2
251.09192	3.6
299.11395	5.5
372.04221	1.1
431.15649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53800	1.3
59.01377	6.3
60.45362	1.4
71.01387	2.1
75.00854	2.3
85.02943	7.0
87.04515	3.4
89.02431	1.5
110.06115	3.9
122.06093	12.6
144.04605	8.0
174.05638	3.9
188.03630	6.6
202.05084	2.0
203.05904	80.1
203.07777	3.3
204.06680	27.4
205.07530	2.8
207.05603	2.3
207.58823	1.8
231.09096	3.9
259.08667	2.0
263.08075	2.6
276.08795	3.9
277.88208	1.6
285.29337	1.9
291.11307	3.3
301.69992	1.8
313.12012	11.0
323.10187	8.3
325.11987	28.1
325.15448	3.0
327.13956	2.4
337.15704	3.5
343.13058	11.6
399.15475	2.4
401.17221	10.4
413.17203	50.1
431.18423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10661	2.1
59.01381	14.5
66.41116	1.9
70.10519	2.6
70.88763	2.2
71.01366	27.7
73.02940	4.9
85.02943	10.3
89.02435	5.1
92.23074	3.3
101.02440	18.5
107.47636	2.2
113.02415	11.6
140.28299	2.6
141.32607	2.3
153.09181	5.4
161.04562	51.0
179.05583	5.2
183.28163	2.3
187.23642	2.6
197.21190	3.7
205.12340	100.0
225.25729	2.7
306.61682	3.0
428.87387	2.7
431.19067	35.7
455.54178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10661	2.1
59.01381	14.5
66.41116	1.9
70.10519	2.6
70.88763	2.2
71.01366	27.7
73.02940	4.9
85.02943	10.3
89.02435	5.1
92.23074	3.3
101.02440	18.5
107.47636	2.2
113.02415	11.6
140.28299	2.6
141.32607	2.3
153.09181	5.4
161.04562	51.0
179.05583	5.2
183.28163	2.3
187.23642	2.6
197.21190	3.7
205.12340	100.0
225.25729	2.7
306.61682	3.0
428.87387	2.7
431.19067	35.7
455.54178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.4
71.01368	30.2
73.55856	4.7
78.81182	5.2
89.02452	57.7
101.02457	13.4
105.31518	5.4
113.40942	6.0
119.03477	23.7
133.01459	8.8
161.04526	9.7
179.05606	57.1
205.12386	5.4
238.76222	5.5
365.49808	5.8
385.18491	26.9
431.19330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60340	0.7
53.30148	0.8
59.01380	7.0
71.01377	20.2
72.99319	1.0
73.02937	6.8
81.03365	0.9
85.02947	9.5
89.02441	1.8
92.22443	0.9
95.01387	1.8
99.00879	1.5
101.02439	17.6
101.43460	0.8
113.02429	14.2
143.03542	1.2
145.90492	0.8
153.09253	1.5
159.03012	3.8
161.04556	46.1
203.10872	1.0
205.12338	100.0
243.74147	1.1
264.73483	0.9
267.45258	1.0
290.98752	0.9
367.17642	29.8
385.18680	4.6
431.19025	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15152	1.1
56.48140	1.2
59.01377	3.0
59.68851	1.0
59.81341	1.0
63.96240	6.7
64.23335	1.0
67.19241	1.1
71.14751	1.0
72.99281	4.5
73.01171	1.7
73.98293	1.2
74.99091	100.0
87.00867	7.0
97.06583	5.0
104.79313	1.1
117.97317	7.3
125.09713	76.7
125.10646	2.7
133.80771	1.1
135.98346	10.9
136.99139	87.0
155.04527	1.2
164.00458	1.4
169.08763	5.3
187.09764	81.3
251.16550	1.4
261.13461	7.5
275.19955	1.4
288.19669	1.7
291.19739	5.4
293.21332	1.2
343.19672	4.8
381.63550	1.5
431.22205	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33430	0.2
78.95903	29.5
91.62292	0.2
96.96963	4.4
150.98016	1.4
152.26582	0.2
152.99590	100.0
171.00633	3.0
175.54279	0.2
182.60336	0.2
220.34143	0.3
277.21786	1.6
379.13394	0.3
431.22083	21.1
443.06537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
73.60349	0.3
78.95901	28.1
87.35222	0.3
91.58434	0.4
96.96957	4.8
97.97825	0.3
110.44067	0.3
119.05047	0.4
119.29325	0.3
141.97343	0.3
145.02946	0.6
150.98061	1.3
152.99585	100.0
171.00623	3.4
259.99680	0.4
277.21805	0.6
325.67038	0.4
331.45413	0.3
431.16190	0.7
431.22040	20.1
445.47037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.2
59.01414	0.3
61.61996	0.2
71.01392	1.1
78.95903	28.4
84.09875	0.2
95.96962	0.2
96.96014	0.5
96.96954	5.0
150.98007	1.3
151.89563	0.2
152.99586	100.0
154.47404	0.2
171.00676	3.3
249.11241	0.3
267.74258	0.2
277.21786	1.1
297.24442	0.5
315.25409	9.7
343.26385	0.5
387.25748	1.9
431.22003	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78340	0.5
60.19349	0.5
66.88079	0.4
75.66655	0.4
78.95904	50.4
92.23154	0.5
96.96951	5.2
113.60168	0.5
150.98091	1.0
152.99588	100.0
171.00658	2.8
277.21667	2.0
395.44183	0.6
431.22101	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93833	0.4
59.01374	0.5
78.95897	45.3
96.96943	5.1
114.24514	0.4
150.98016	2.1
152.99579	100.0
171.00615	2.1
183.26474	0.4
231.83574	0.4
266.67432	0.5
277.21701	2.6
393.01550	0.5
416.78281	0.5
431.07999	4.3
431.22067	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2209
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
57.22150	1.4
59.01382	9.4
63.62413	1.9
78.67120	1.8
78.95916	2.9
102.16046	2.1
112.02374	2.3
118.34033	2.0
118.63854	2.0
121.02891	2.0
125.09628	1.9
145.02977	2.5
152.41895	2.1
152.99599	37.0
171.10277	51.1
242.49423	2.3
277.21768	63.6
295.22836	59.4
387.25861	2.7
431.21988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
78.48382	0.4
78.95902	27.7
85.44666	0.5
96.96957	5.2
136.27937	0.4
150.98015	0.8
152.99590	100.0
171.00642	3.0
179.33304	0.4
277.21713	0.9
355.73929	0.4
431.22119	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08759	0.3
65.67684	0.3
78.95902	29.7
90.70741	0.4
91.34089	0.4
96.96953	4.8
150.98019	1.0
152.99586	100.0
171.00652	3.9
222.00084	0.4
226.47047	0.4
227.82513	0.4
277.21725	0.8
431.22079	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54588	0.3
58.28546	0.5
63.81444	0.4
63.92547	0.4
66.27949	0.4
68.93578	0.4
71.17289	0.5
78.95901	44.1
79.20535	0.5
96.96954	3.9
98.86347	0.4
112.67513	0.4
123.53603	0.5
130.63879	0.5
150.98001	0.7
152.99580	100.0
171.00662	1.8
188.53471	0.5
277.21704	2.1
392.90244	0.5
431.22083	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61721	4.8
55.78316	4.1
59.01379	12.0
60.13538	3.8
61.56469	4.1
75.36833	5.1
78.95908	38.6
92.22462	4.3
93.23325	4.9
98.02888	4.9
102.77603	4.7
105.89969	4.7
111.04505	9.6
111.15963	5.3
122.33791	5.0
126.58882	4.7
127.57777	5.0
136.59537	4.7
152.99617	100.0
236.00768	6.0
249.18472	10.3
275.16541	7.4
293.17667	88.5
307.19040	5.6
311.18710	5.5
382.26358	6.3
431.21982	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60811	4.2
57.02785	3.8
59.01396	9.2
62.30624	3.7
78.95901	64.6
99.92636	4.8
116.92842	8.9
117.77240	4.8
119.08500	5.2
137.02440	30.0
152.99573	100.0
197.11845	11.7
199.13588	4.5
215.12862	90.1
348.07547	5.7
357.35898	5.0
410.24219	6.2
431.13007	10.8
431.22180	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95406	0.3
59.01382	100.0
59.81423	0.4
69.76644	0.3
71.01375	1.7
80.25688	0.4
85.02939	0.6
89.02438	4.8
101.02454	1.8
113.02465	1.6
119.03497	2.3
137.02481	0.6
145.66972	0.4
179.05679	2.0
199.88612	0.4
239.24774	0.5
371.20801	1.9
431.12299	0.4
431.23050	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84880	0.5
54.41675	0.5
59.01382	100.0
70.66177	0.6
71.01391	3.0
75.38689	0.7
75.72154	0.5
79.26395	0.6
89.02435	5.2
97.01057	0.5
101.02449	2.6
111.78111	0.6
113.02425	1.4
119.03532	2.1
123.17114	0.6
134.52673	0.7
153.09273	0.6
179.05589	3.3
217.41521	0.6
290.22693	0.6
371.20764	1.0
431.22903	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28503	0.7
55.69059	0.9
57.03462	1.0
57.39419	0.7
59.01374	1.8
59.28494	0.8
61.98828	0.8
64.12196	0.9
74.99093	26.5
75.20313	0.9
87.00841	1.0
88.24550	0.9
92.56647	1.0
97.06564	4.6
110.17886	1.1
123.08151	1.4
125.09712	100.0
131.25177	0.8
135.63112	1.0
136.99142	22.8
143.10803	1.3
151.29210	0.9
167.29089	1.0
169.08717	7.6
173.25780	0.9
173.60019	0.9
187.09756	94.5
210.92776	0.8
219.75989	1.1
249.18562	1.3
257.92657	1.3
261.13382	9.3
328.68668	0.9
382.91806	1.1
431.22894	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43188	0.4
59.01380	100.0
60.88300	0.5
60.91786	0.5
63.90895	0.5
65.71774	0.5
65.99823	0.6
71.01376	10.3
73.02938	3.9
74.67239	0.5
85.02938	4.7
89.02434	6.3
96.96008	1.3
98.36744	0.5
99.00861	0.7
101.02442	9.3
108.00893	0.9
111.00862	2.3
113.02448	4.9
119.03458	0.9
138.83466	0.6
161.04529	2.7
175.98878	0.5
179.05597	0.9
209.15486	1.1
224.14337	0.5
314.94693	0.6
343.09454	2.2
371.08545	0.7
371.20734	29.3
403.11475	3.3
418.04224	0.7
430.13177	0.6
431.10559	0.9
431.17670	1.0
431.22998	10.6
449.68356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88517	0.6
53.83449	0.6
59.01366	1.1
59.08380	0.7
60.36238	0.7
61.98794	0.8
68.87051	0.7
69.71495	0.8
74.99073	5.7
79.48104	0.7
84.82188	0.8
97.06579	4.1
125.09711	98.1
136.99164	3.7
152.99603	1.3
169.08679	6.7
187.09756	100.0
191.97444	0.8
224.66000	0.9
226.29890	0.8
243.12375	0.9
261.13519	8.8
274.76596	0.9
431.22903	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17146	0.6
59.01372	1.3
74.79675	0.7
74.99084	0.7
96.95959	1.0
101.92480	0.8
136.65607	0.7
136.99142	0.9
179.14430	33.0
197.15501	100.0
207.10239	0.8
223.13463	3.3
241.14496	16.6
278.68723	0.8
315.18195	58.0
431.22458	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71696	0.6
59.01383	100.0
71.01379	7.8
73.02912	0.9
74.02872	0.7
85.02938	0.9
87.00871	1.0
89.02446	15.3
101.02450	6.1
105.01917	4.0
113.02438	4.4
119.03483	7.3
133.66435	0.7
143.03506	1.1
161.04576	1.5
167.96799	0.7
179.05638	9.7
209.11880	1.0
239.99825	0.7
268.11496	0.8
269.14136	1.1
371.20837	0.8
389.78665	0.9
431.23331	12.2
442.20837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
61.98838	1.2
125.09709	6.1
127.11286	5.5
141.09212	1.6
152.99562	2.0
160.84195	1.5
171.10269	25.6
171.15817	1.4
183.13951	1.7
185.11893	2.9
197.11838	8.7
199.09810	2.4
210.95085	1.4
213.11327	5.2
215.12886	100.0
259.11740	2.1
367.14651	1.5
395.20880	1.6
431.22879	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56523	0.6
59.01392	1.0
71.95907	0.8
72.63368	0.7
78.95903	47.8
82.05239	0.7
90.42078	0.7
96.96973	3.8
117.03451	1.9
119.05013	15.1
133.02812	0.9
145.02950	59.4
152.99583	100.0
163.04018	20.2
171.00572	0.9
203.23441	0.8
221.29141	1.0
285.20755	7.8
290.46262	0.9
299.36221	1.0
305.74045	1.0
349.29749	1.0
431.23117	34.7
431.31461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2441
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
59.01393	2.4
59.01687	0.5
68.06742	0.6
77.59002	0.5
78.95904	13.7
79.16975	0.6
96.96950	1.0
97.88824	0.6
117.03503	5.7
119.05020	26.9
119.23003	0.6
119.88195	0.7
121.03020	0.6
137.19518	0.6
145.02950	100.0
152.99582	25.8
153.00742	1.0
163.04010	30.2
163.05315	1.3
194.10553	0.6
204.66209	0.6
223.18242	0.6
267.19791	3.5
279.35922	0.7
285.20721	15.9
374.33545	0.6
384.10916	0.7
413.23291	0.8
431.24554	62.0
434.30811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39968	0.4
55.01870	0.7
57.03456	0.5
59.01105	0.6
59.01384	12.5
60.25272	0.4
61.98814	0.9
63.93267	0.4
65.26334	0.4
71.01375	8.1
73.02937	2.8
74.42976	0.5
77.31016	0.4
83.01378	2.4
85.02934	5.6
87.00875	0.6
89.02431	6.3
95.01362	0.5
97.92365	0.4
99.00868	2.4
101.02435	7.6
111.00836	0.6
113.02455	4.0
119.03497	0.9
129.01939	2.9
133.74586	0.5
153.68523	0.5
183.13887	1.1
245.57274	0.4
251.20172	6.7
253.21730	18.9
253.24266	0.9
269.21240	22.8
352.91422	0.5
413.25470	0.8
431.07709	2.5
431.26541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2806
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
59.01382	21.9
64.84490	1.0
69.99020	1.1
78.95905	8.0
82.85893	0.9
94.38046	1.0
146.13309	1.1
152.99594	14.9
155.10791	1.3
171.10275	43.1
183.10226	8.9
254.66339	1.2
277.18695	1.4
277.21756	63.3
295.22821	100.0
411.98163	1.0
431.22763	3.2
431.28049	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18847	0.5
55.11825	0.5
59.01382	100.0
75.11539	0.6
77.68140	0.6
78.95903	4.9
117.17307	0.6
125.96827	0.6
133.11382	0.7
152.99614	7.5
297.24390	5.6
374.79758	0.8
431.22162	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88568	0.4
59.01385	100.0
66.94656	0.5
71.64934	0.4
74.79601	0.6
78.95905	6.7
79.60262	0.5
96.96964	0.6
112.84219	0.6
145.02901	0.8
152.99591	16.0
157.55641	0.6
235.43195	0.5
297.24301	5.8
392.94299	0.7
431.22144	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88568	0.4
59.01385	100.0
66.94656	0.5
71.64934	0.4
74.79601	0.6
78.95905	6.7
79.60262	0.5
96.96964	0.6
112.84219	0.6
145.02901	0.8
152.99591	16.0
157.55641	0.6
235.43195	0.5
297.24301	5.8
392.94299	0.7
431.22144	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.317
Annotation	trans-Caffeic acid stearyl ester
Peak:m/z	Relative Intensity
59.82952	1.1
61.53233	1.1
80.18947	1.2
133.02950	2.8
134.03749	3.0
135.04512	8.9
137.02458	2.5
159.61852	1.7
161.02458	18.9
179.03484	9.2
227.37347	1.6
391.70834	1.5
431.31708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3172
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
83.56209	4.4
92.40312	3.5
96.82325	3.8
115.95354	3.7
134.90503	3.3
147.57379	3.8
184.55415	3.8
190.80542	4.8
255.73283	3.8
286.81082	4.0
387.32755	96.2
431.31711	100.0
459.86981	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.7
88.25980	0.4
94.15245	0.5
117.88338	0.5
141.12814	1.1
146.71719	0.5
152.99593	0.8
155.14427	3.5
169.12306	1.1
179.92455	0.5
185.11887	3.8
185.15494	2.4
195.17584	0.7
197.11909	0.6
209.15466	2.3
215.12865	12.2
225.15030	0.6
227.16454	3.3
229.14317	0.7
243.15948	0.5
245.17535	1.8
273.17203	0.8
277.99149	0.4
287.36432	0.5
295.22824	3.0
315.25241	0.6
377.30804	0.7
395.31845	0.8
411.31198	1.0
413.32764	8.6
429.32269	11.9
431.33826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49375	0.4
51.32553	0.4
52.25965	0.4
52.54704	0.4
59.01372	1.0
64.92900	0.6
74.33672	0.5
74.84096	0.5
85.27123	0.5
96.95972	0.6
104.60890	0.5
105.10626	0.5
127.11272	2.4
149.29108	0.5
152.99602	0.7
155.10751	0.5
157.12308	3.0
167.14345	1.2
169.15887	0.6
185.15425	0.6
197.15443	0.8
213.15001	3.7
225.14949	0.7
237.18443	1.0
241.14655	0.8
243.16043	11.0
253.18173	0.9
255.16049	0.7
255.19592	4.0
265.18350	0.5
266.39865	0.6
267.19888	0.9
273.20724	2.0
301.20486	0.6
377.30789	1.2
395.31757	1.4
411.31271	1.3
413.32724	10.0
429.32172	9.5
431.07736	2.2
431.21198	2.4
431.33826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82113	0.3
61.33944	0.3
63.94234	0.2
68.19595	0.3
79.95737	1.8
84.54580	0.3
87.45684	0.2
89.62835	0.3
96.96001	100.0
119.45307	0.3
187.53346	0.3
203.47540	0.3
223.52106	0.3
307.08548	0.5
325.73239	0.3
370.77328	0.3
432.07614	6.4
443.40799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33704	0.2
60.88923	0.2
64.71587	0.2
66.02446	0.2
68.07407	0.2
79.95741	0.9
94.09366	0.2
96.96005	100.0
109.75282	0.2
118.52103	0.2
120.17355	0.2
156.33928	0.3
187.07893	0.3
233.10654	0.3
291.04883	0.3
432.07312	2.4
450.31448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27481	0.2
64.47663	0.2
67.86224	0.2
79.95736	0.7
92.22617	0.4
96.96005	100.0
119.75052	0.3
212.54417	0.3
415.40445	0.4
432.07629	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83646	0.3
65.05787	0.2
72.99309	0.6
79.95744	0.8
83.41586	0.3
96.96008	100.0
100.24205	0.4
135.04619	0.4
176.91232	0.4
177.00716	0.4
179.03473	0.4
197.04546	0.5
340.04550	0.4
432.07761	2.1
452.63388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1593
Annotation	FO 3216IV
Peak:m/z	Relative Intensity
59.01381	29.8
60.01708	3.9
71.01375	17.5
72.01704	3.4
72.99284	0.5
73.02937	7.5
74.03274	0.7
83.01360	0.5
85.02941	4.1
86.03296	1.3
87.00862	0.7
89.02438	42.4
90.02762	7.4
95.01386	1.2
96.01691	0.5
99.00874	36.6
100.01217	10.4
101.02442	13.0
102.02781	3.3
113.02441	18.5
114.02756	6.3
119.02698	0.4
119.03508	10.2
119.05000	7.6
120.03857	2.2
120.05332	6.1
131.03482	4.4
132.03804	1.3
137.06087	1.8
138.06406	1.5
143.03522	0.6
149.04553	6.0
150.04871	2.0
161.04485	2.8
162.04901	2.0
173.64618	0.3
179.05693	0.5
182.89336	0.3
191.05646	7.1
192.05983	3.6
196.25433	0.3
233.06647	1.4
234.07036	1.5
240.00534	0.4
245.68416	0.4
294.09152	0.3
299.11407	1.5
300.11758	4.4
426.58701	0.4
432.15985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64510	0.3
74.07327	0.3
120.30291	0.3
121.21024	0.3
126.99413	0.4
162.05605	100.0
190.81755	0.4
190.88631	0.4
225.91331	0.4
233.54796	0.4
234.00565	0.4
270.11374	32.2
322.54654	0.4
412.23532	0.4
432.16672	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1667
Annotation	Naamidine D
Peak:m/z	Relative Intensity
54.64510	0.3
74.07327	0.3
120.30291	0.3
121.21024	0.3
126.99413	0.4
162.05605	100.0
190.81755	0.4
190.88631	0.4
225.91331	0.4
233.54796	0.4
234.00565	0.4
270.11374	32.2
322.54654	0.4
412.23532	0.4
432.16672	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14462	13.6
51.86043	13.3
53.96929	14.5
59.01377	61.5
59.26064	12.5
64.02099	12.9
70.59923	13.2
73.02947	17.8
76.39660	18.8
138.12627	15.6
202.26773	17.5
226.74652	17.0
271.06818	16.8
389.21872	66.0
432.22418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09598	1.1
52.51891	1.0
58.02969	2.2
59.01376	2.5
61.98835	100.0
70.02972	7.5
77.40046	1.1
78.33022	1.1
93.10955	1.3
96.00927	12.8
111.28577	1.5
113.03570	4.8
114.01954	21.4
118.04770	1.2
119.13784	1.2
131.04607	10.5
152.99599	5.9
177.96678	1.5
179.39639	1.5
254.24944	27.0
307.27625	1.7
351.26526	31.4
369.27603	77.0
432.33261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.6
59.01365	1.8
59.64070	1.4
59.93203	1.3
61.98820	2.2
63.68754	1.2
73.02942	11.8
74.02470	20.4
96.96011	6.6
100.04028	2.0
107.16626	1.4
118.05103	15.2
121.03078	1.5
124.24045	1.5
129.93962	1.3
130.05173	2.9
152.99547	2.1
197.25609	1.5
223.20735	9.2
234.26259	2.0
253.21729	15.0
254.95021	1.8
296.19769	2.4
354.26550	11.8
372.27567	47.5
432.29712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3122
Annotation	Glycolithocholate
Peak:m/z	Relative Intensity
105.10641	0.3
109.02936	1.1
120.16011	0.3
121.02953	2.6
123.04511	2.2
136.00806	0.3
148.04039	1.5
149.04828	5.9
149.81723	0.3
150.05603	21.8
165.96291	0.3
168.35284	0.3
243.68872	0.3
280.26569	1.3
303.11279	0.3
385.76324	0.3
387.28955	0.5
396.28952	1.7
414.30197	100.0
432.31265	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30155	0.2
57.31111	0.2
62.42913	0.3
78.95904	30.7
81.15147	0.3
87.00856	0.3
89.02448	0.6
89.81776	0.3
90.64556	0.3
93.03450	1.9
96.96954	100.0
111.04530	2.7
137.02438	4.1
155.03529	3.0
179.03397	0.4
210.81467	0.3
215.92088	0.3
285.68182	0.3
286.78983	0.3
335.09879	7.7
335.13431	0.4
390.85849	0.3
433.07526	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.093
Annotation	2,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
59.01389	0.8
61.98837	0.4
70.30286	0.4
72.04425	0.4
74.99094	8.4
78.95894	1.0
80.93137	0.4
102.06136	0.4
102.59054	0.4
136.99123	6.6
152.99559	3.2
375.04980	1.1
389.06686	9.0
403.04572	14.6
417.06000	0.6
418.06952	15.7
433.09338	100.0
433.22076	3.7
433.31589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41874	1.1
50.42846	1.1
51.85978	1.0
57.02488	1.0
59.01381	22.7
61.32956	1.1
71.01378	16.2
71.38551	1.1
72.99300	2.0
76.73920	1.1
79.49004	1.2
88.33850	1.3
89.02451	12.1
95.18844	1.1
95.45209	1.1
96.96941	1.3
101.02439	6.2
112.92094	1.3
113.02458	3.1
115.00363	39.3
115.04011	2.4
116.38114	1.2
119.03522	1.8
131.04619	1.6
133.01427	100.0
137.02437	6.2
139.74619	1.2
161.26625	1.1
179.05550	1.3
207.23779	1.3
305.17081	1.4
335.13416	11.1
362.94809	1.4
373.18677	2.2
433.11465	1.9
433.17047	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24118	2.2
54.02374	2.2
88.09637	2.8
99.00877	4.0
99.95853	2.9
125.06107	13.5
169.05008	2.6
183.23244	2.8
216.05122	100.0
266.66348	2.8
287.33752	3.4
445.50504	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16310	1.8
57.39445	2.3
59.01382	25.9
63.01538	2.0
69.78292	2.0
71.01373	8.6
89.02447	12.3
97.02969	2.4
101.02448	10.0
113.02457	12.0
115.03989	5.1
125.06062	10.1
144.39388	2.1
164.32094	2.4
216.05150	100.0
237.83482	3.2
316.23462	2.4
335.13577	16.5
433.17136	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	52.1
61.12945	2.7
63.57974	2.9
71.01381	11.9
81.51788	2.5
83.22974	2.8
85.02915	3.1
89.02434	5.8
90.40078	3.1
96.96002	16.0
101.02413	5.8
113.02412	4.2
115.06686	2.8
121.02938	3.8
133.06619	4.3
134.57133	2.7
135.04478	3.2
140.84238	2.8
148.01666	5.2
149.02434	81.9
150.03214	84.2
151.00372	4.7
151.03931	4.4
152.01132	5.2
163.03973	6.1
164.04782	70.0
165.05586	37.0
167.03494	3.2
179.07140	15.1
186.20313	2.8
193.01443	11.9
193.06638	3.0
208.03760	91.4
209.04614	6.8
223.06126	100.0
265.07101	4.7
271.06155	7.2
371.11447	97.2
379.49155	3.4
433.11493	23.9
433.20084	20.8
447.54590	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59217	1.4
59.01386	26.0
69.37354	1.4
71.01379	3.4
85.02922	2.0
87.00900	1.7
88.91664	1.5
89.02452	6.7
101.02442	3.6
105.70658	1.7
110.07638	1.6
121.02980	13.5
122.03720	3.7
132.02173	2.7
133.06689	2.4
133.15614	2.0
136.01649	2.1
147.04544	2.7
148.01633	3.5
149.02437	83.9
150.03221	82.1
150.41872	1.7
151.03992	2.4
152.01152	8.5
163.03989	10.8
164.03412	2.2
164.04791	69.5
165.05551	41.3
177.05432	2.2
179.07182	21.6
193.01448	9.6
208.03786	89.3
208.05765	3.4
209.04575	10.0
223.06122	100.0
236.16278	1.9
265.07260	8.5
312.10052	2.6
371.11389	90.5
433.11627	16.4
433.20215	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15851	0.7
55.23936	0.8
59.01382	43.4
71.01369	1.0
89.02453	1.7
92.23095	1.0
95.42895	0.8
95.53822	0.9
96.96007	54.1
101.02402	1.0
121.02966	0.9
122.03716	2.2
130.86726	1.1
136.01633	1.2
149.02440	9.5
150.03212	31.9
150.04337	1.7
150.69029	0.8
151.03937	1.1
152.01114	5.2
163.03973	1.8
163.17749	1.0
164.04805	29.5
165.05559	23.8
169.05096	1.3
172.64157	0.8
179.07120	7.4
193.01469	7.0
208.03789	68.0
209.04578	8.3
223.06126	100.0
275.80984	1.1
433.11780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
62.63772	0.4
71.01390	0.7
74.99103	0.5
80.42493	0.4
89.02435	0.8
97.04887	0.5
123.00852	6.8
135.31436	0.5
138.03230	23.0
153.05571	14.2
163.36295	0.6
165.30365	0.5
166.99829	8.3
182.02225	83.3
197.04568	100.0
235.00148	0.7
255.97424	0.5
324.81677	0.5
325.12997	0.6
341.35986	0.5
433.13559	64.0
441.38040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.5
61.49019	0.6
71.01382	6.1
82.46545	0.6
85.02948	1.4
89.02418	7.7
101.02454	6.1
113.02403	1.2
119.03459	1.8
123.00856	5.2
138.02237	1.1
138.03227	21.5
153.05574	15.3
161.04556	1.2
166.99908	5.9
167.01086	0.9
179.05569	1.4
182.02219	87.7
197.04567	100.0
233.17389	0.7
335.13599	7.4
373.18558	4.3
402.92786	0.7
433.13324	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.5
61.78513	1.0
71.01369	2.2
74.20840	1.2
89.02431	1.9
101.02456	1.2
101.30956	1.1
102.74744	1.1
106.59034	1.3
123.00881	5.6
138.03214	20.8
142.47502	1.1
153.05560	11.6
166.99846	8.8
182.02209	84.9
197.04562	100.0
211.09795	1.4
216.43982	1.4
237.14783	1.2
239.13962	1.2
351.01309	1.2
433.13535	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94375	0.3
59.01376	2.3
64.74403	0.3
70.73430	0.3
76.08858	0.2
78.64014	0.3
85.02944	0.7
87.83788	0.3
88.17313	0.3
88.18049	0.3
88.87735	0.3
113.02446	100.0
117.08666	0.3
144.36171	0.3
157.30064	0.4
192.64757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
62.63772	0.4
71.01390	0.7
74.99103	0.5
80.42493	0.4
89.02435	0.8
97.04887	0.5
123.00852	6.8
135.31436	0.5
138.03230	23.0
153.05571	14.2
163.36295	0.6
165.30365	0.5
166.99829	8.3
182.02225	83.3
197.04568	100.0
235.00148	0.7
255.97424	0.5
324.81677	0.5
325.12997	0.6
341.35986	0.5
433.13559	64.0
441.38040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.0
66.34206	0.9
71.01381	45.0
73.02956	14.9
83.01380	7.7
85.02956	18.2
87.00883	1.0
89.02447	37.0
89.02969	2.1
95.01384	2.5
99.00880	6.0
101.02442	53.2
101.52488	1.1
105.01999	1.1
113.02451	25.5
115.04008	2.0
119.03491	12.2
161.04556	20.7
163.16589	1.1
179.05637	1.8
214.48157	1.1
263.11383	100.0
299.22534	1.2
314.05276	1.2
329.16068	1.6
422.52957	1.1
433.14035	2.1
433.24802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1506
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
78.95912	2.6
95.05018	0.8
97.02917	1.8
135.09099	0.4
139.04025	15.6
149.06050	0.5
152.99583	5.4
163.03955	2.1
165.01936	0.9
173.06094	0.5
185.09727	2.3
209.09583	0.5
227.10806	11.4
253.08786	5.2
271.09781	100.0
295.09775	0.5
359.03952	1.0
403.02817	1.9
433.07944	2.2
433.15060	7.8
433.23560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73597	0.6
58.79268	0.5
59.01383	100.0
60.02746	0.6
60.97897	0.6
64.33977	0.7
71.01373	3.3
73.02963	0.7
76.15277	0.7
78.95914	0.6
79.02544	0.7
85.02960	0.8
87.37486	0.6
101.02427	1.4
113.02428	0.8
152.99571	1.4
229.18141	5.5
235.00290	0.9
246.73431	0.8
373.22400	1.6
391.23499	7.6
433.24240	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1507
Annotation	Lophodiol B
Peak:m/z	Relative Intensity
50.44675	0.9
59.01107	1.3
59.01384	27.8
71.01386	1.3
83.33663	0.9
85.02925	1.1
87.96801	0.9
89.02418	1.1
96.96004	1.5
97.35202	0.8
101.02451	2.2
111.00896	1.7
123.00859	1.1
125.02412	1.1
128.24530	1.1
137.99568	1.0
138.03241	4.7
139.00372	13.6
139.04044	5.1
141.20796	1.0
145.03011	0.9
152.99509	0.9
153.01930	1.7
153.05609	1.3
163.04010	1.7
166.02713	5.8
175.04085	1.4
177.05551	4.7
178.02631	1.3
180.04208	1.1
181.05069	1.9
192.07971	1.4
193.05103	4.1
203.03520	4.8
204.04288	1.7
207.06616	1.7
214.95039	1.0
218.05876	8.1
219.06699	1.1
221.04425	1.1
255.06728	1.4
329.10419	1.1
343.08383	10.8
346.59039	1.1
355.08377	7.4
358.10648	22.0
373.09277	2.3
373.13080	22.7
373.22339	3.7
403.09790	12.9
403.14325	6.7
403.18610	1.2
418.12540	4.3
433.15088	100.0
433.24475	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18756	1.1
58.02977	15.4
59.01384	28.1
68.96174	1.2
70.02969	21.8
78.95929	1.5
80.69868	1.2
89.02438	3.2
91.62964	1.2
96.00905	14.1
96.96970	5.4
98.02446	2.8
101.02411	1.2
113.02418	2.9
113.03555	2.4
114.01962	41.8
127.30559	1.6
131.04636	9.6
133.05240	1.9
136.01663	14.3
137.02457	2.4
151.04013	17.7
153.01888	1.4
162.05632	2.9
176.03635	1.5
179.05582	1.5
189.21962	1.4
240.06717	5.8
241.07439	7.2
241.42566	1.3
254.08192	6.4
255.08981	21.7
256.09818	14.3
267.09100	5.5
268.09760	21.1
270.11371	12.0
271.11670	2.8
282.11414	8.7
296.12973	1.6
325.11856	5.1
326.13071	9.4
341.14899	5.0
353.11459	2.6
354.00775	1.3
371.71265	1.6
373.18741	2.9
377.38251	1.4
385.14368	2.0
401.13696	6.2
433.16248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86299	1.3
56.51878	1.3
58.62808	1.3
59.01383	100.0
71.01378	7.0
71.23122	1.4
73.02957	2.5
74.73852	1.6
89.02411	2.6
97.89372	1.5
101.02441	4.0
113.02477	2.4
119.66314	1.6
138.03244	3.7
153.51901	1.7
155.07239	1.8
161.04605	2.5
182.02229	25.6
196.07446	2.4
197.04552	34.6
211.09673	6.8
335.13513	7.6
433.13351	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21548	1.7
52.32890	1.8
58.87519	1.9
59.01381	100.0
64.33562	2.2
71.01373	31.7
85.02934	5.6
87.00864	4.1
89.02440	61.3
97.02940	4.6
101.02438	32.3
101.81077	2.3
101.99535	2.6
113.02442	18.1
115.04005	29.4
119.03502	19.0
155.07198	4.5
173.08138	2.5
179.05661	3.2
191.75232	2.4
197.04596	2.5
232.78189	2.5
290.52991	2.5
330.41733	2.9
335.13538	83.4
373.18494	5.7
433.17181	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32870	0.4
78.95903	27.4
86.11388	0.4
96.96925	5.2
97.06754	0.4
150.31467	0.4
150.98009	1.9
152.99588	100.0
171.00661	4.2
173.63795	0.4
279.23343	0.9
280.12085	0.5
433.23676	22.0
439.57190	0.5
445.05148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63732	0.4
66.14558	0.4
74.06259	0.4
78.95903	33.9
84.15722	0.5
96.96962	4.6
150.98006	2.0
152.99588	100.0
156.10852	0.5
167.67841	0.4
171.00627	3.2
193.91798	0.5
227.50185	0.4
279.23166	1.4
433.23654	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54688	0.3
67.01466	0.4
78.95899	28.6
96.96964	4.9
99.92674	0.5
111.55772	0.5
144.51440	0.4
150.97993	2.1
152.99583	100.0
171.00681	4.6
178.98407	0.5
273.89706	0.5
279.23224	0.7
313.96298	0.4
433.23654	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54247	0.4
52.04926	0.4
62.96415	0.7
66.11846	0.5
70.84078	0.5
78.95901	51.3
96.96952	6.0
98.78495	0.6
115.14507	0.6
120.71301	0.5
130.70201	0.6
144.40913	0.5
150.98003	1.1
152.99588	100.0
171.00609	2.3
279.23227	1.3
354.42563	0.5
433.23648	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96415	0.5
65.82999	0.4
78.95903	44.4
82.05224	0.4
95.90324	0.5
96.96967	3.1
118.21673	0.5
141.51845	0.5
150.97951	1.0
152.99586	100.0
171.00661	2.6
256.38339	0.5
279.23309	2.3
433.23660	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37667	0.3
57.49132	0.3
62.26881	0.4
65.26594	0.3
67.61793	0.3
71.58954	0.3
73.40968	0.3
78.95898	28.4
79.99165	0.3
91.04092	0.3
96.96952	5.0
118.47610	0.4
133.43716	0.3
150.98033	1.9
152.99580	100.0
171.00661	3.4
249.02744	0.4
279.23373	1.5
307.66064	0.4
365.53784	0.4
433.23621	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13057	0.3
54.61718	0.3
57.36410	0.3
62.04808	0.4
70.56561	0.3
77.82655	0.3
78.95898	26.1
86.44048	0.3
96.96943	4.5
98.24160	0.3
98.74046	0.3
112.95815	0.3
113.05262	0.3
150.98041	1.4
152.99582	100.0
171.00629	2.7
279.23395	1.7
303.33304	0.4
316.95956	0.4
353.09491	0.5
433.23627	24.9
433.29581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57323	0.3
63.42755	0.3
74.83759	0.4
78.95902	44.0
96.96940	4.3
99.94750	0.5
150.98062	0.6
152.99586	100.0
171.00679	2.1
279.23361	2.8
433.23663	42.0
453.33163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83706	0.8
57.03444	0.9
57.71096	0.9
59.01382	80.6
71.01373	45.3
72.99329	1.0
73.02937	6.4
78.81973	0.9
81.50391	0.9
83.01400	2.3
85.02942	12.2
86.47874	1.1
87.00840	1.8
87.04513	1.9
89.02440	60.9
94.18947	1.2
95.01385	2.6
99.00871	1.6
101.02444	32.7
113.02438	25.7
119.03495	17.8
122.47276	1.0
130.33862	1.2
131.64432	1.1
143.03548	1.3
161.04570	6.0
179.05656	8.9
271.19153	2.2
280.07617	1.2
354.55194	1.1
433.24481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
53.01714	1.0
57.03455	1.7
59.01384	59.1
63.14211	1.0
71.01380	32.6
73.02947	6.4
76.76089	1.2
85.02934	12.6
86.94105	1.4
87.04510	2.3
88.12920	1.1
89.02433	46.2
99.00896	1.2
101.02441	30.1
102.86597	1.3
113.02448	17.2
119.03506	11.7
133.41998	1.1
159.10318	1.4
161.04535	6.3
167.15292	1.2
179.05666	3.0
183.13882	2.3
184.46211	1.3
192.94664	1.3
271.19144	2.7
326.20154	1.2
412.38620	1.2
433.15891	9.3
433.24487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14528	0.7
53.35419	0.5
55.72614	0.5
59.01382	100.0
60.16970	0.6
62.31871	0.6
68.82492	0.7
71.01385	4.1
73.02937	1.0
79.57266	0.7
83.01358	0.6
85.02971	1.4
89.02450	1.6
91.28771	0.6
96.96009	14.6
101.02451	4.4
111.00921	1.1
113.02449	0.9
126.18447	0.7
139.52347	0.7
152.99605	0.8
161.04590	1.4
191.95944	0.7
330.47699	0.8
373.22379	17.6
433.24496	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12241	0.6
53.37474	0.6
57.01463	0.6
59.01384	100.0
63.94449	0.7
71.01384	10.3
73.02934	1.5
83.01414	0.9
85.02946	1.1
85.33907	0.8
89.02451	6.5
95.01423	0.6
96.95997	3.1
101.02441	6.5
113.02441	3.7
119.03492	1.4
161.04570	1.1
190.72377	0.7
201.92024	0.7
254.77885	0.7
373.22546	5.1
433.18958	0.8
433.24658	20.4
447.18610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52547	0.5
53.96996	0.5
59.01382	100.0
63.34310	0.5
67.00758	0.6
68.93847	0.6
68.99801	0.6
71.01369	4.6
72.58080	0.7
73.02939	1.2
78.95878	0.7
83.91105	0.6
85.02959	2.7
89.02429	3.3
90.88085	0.6
96.95971	1.1
97.82349	0.7
101.02454	5.7
105.01933	0.8
113.02431	2.4
125.67138	0.7
138.03227	2.6
139.03957	0.8
152.99550	2.6
153.05571	1.5
161.04570	3.5
168.04272	0.9
176.01186	2.8
176.04788	0.9
179.03477	1.0
191.03557	1.6
192.04324	2.5
192.49823	0.8
193.01453	1.6
194.05879	4.1
207.06554	7.0
208.03816	5.6
209.08267	2.7
223.06134	7.0
251.83441	0.7
358.10538	0.8
373.13736	0.7
373.18008	0.9
373.22382	18.9
433.15158	10.0
433.24579	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47974	0.5
53.59439	0.5
53.83484	0.5
59.01383	100.0
71.01371	4.1
73.02943	0.8
85.02949	1.0
89.02435	7.4
96.96004	50.9
97.95949	1.5
101.02442	3.0
113.02451	3.0
113.95224	0.6
119.03454	1.3
150.06830	0.8
161.04576	1.5
169.59241	0.7
179.05609	3.4
203.61362	0.7
213.06161	0.6
270.29062	0.9
277.63593	0.6
315.98557	0.7
329.80692	0.6
373.22424	3.0
379.70093	0.6
389.49747	0.8
390.40167	0.7
433.07867	1.0
433.15106	0.9
433.24664	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.01872	0.8
56.67054	0.6
58.00571	0.7
59.01102	1.4
59.01380	19.6
71.01376	10.9
72.99312	0.9
73.02935	5.6
78.95919	0.8
83.01382	5.0
85.02940	7.4
86.00109	0.9
87.00903	0.7
89.02432	4.0
95.01360	1.2
99.00871	1.2
101.02438	15.5
111.00840	3.0
113.02461	5.2
126.93782	0.7
152.29999	0.8
152.99590	3.1
155.07190	0.8
159.02722	0.6
171.13930	4.1
195.65024	0.7
229.56354	0.8
253.18063	1.1
271.19147	6.7
433.24493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30194	0.5
59.01384	100.0
59.49535	0.5
61.98829	0.6
63.08086	0.5
66.02422	0.5
69.26576	0.5
71.01385	9.1
73.02942	3.4
83.01396	0.9
83.83157	0.5
85.02937	5.0
89.02434	5.6
96.95995	0.7
97.02979	0.6
99.00886	2.6
101.02444	9.2
111.08134	3.7
113.02447	6.7
119.03540	0.6
145.02992	1.1
161.04567	2.2
173.08205	7.5
179.05566	0.7
179.85120	0.6
234.97754	0.6
271.11880	1.2
284.33084	0.6
373.22388	14.6
391.23407	2.6
433.15524	3.5
433.24921	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25864	0.5
59.01386	100.0
59.43937	0.6
61.37090	0.6
71.01382	6.8
73.02967	1.3
85.02957	1.5
89.02459	2.5
92.98499	0.6
96.95971	0.6
101.02442	4.0
113.02464	3.4
119.57913	0.6
161.04547	2.6
172.67441	0.8
209.24231	0.7
275.07083	0.8
373.22256	9.4
433.20490	1.3
433.24725	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.26
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15486	1.0
65.03954	1.1
78.95885	2.4
81.03452	4.3
83.05029	14.1
92.02042	1.1
93.03451	93.8
96.02136	1.9
97.75325	0.9
102.57592	0.9
111.04510	30.4
135.87120	1.0
137.02443	100.0
152.99582	8.9
155.03500	95.2
225.45438	1.2
277.21695	18.4
286.56277	1.1
327.42935	1.2
349.05792	1.1
433.26086	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91503	0.9
57.08034	0.9
63.42052	0.9
65.03937	1.0
65.43420	0.8
70.07322	1.1
78.95898	13.7
80.31001	1.0
81.03455	2.3
83.05018	16.0
93.03449	100.0
102.61832	1.1
109.02950	1.3
111.04514	54.0
137.02437	51.3
140.61021	1.0
152.99576	24.0
155.03494	96.6
187.88739	1.2
277.21683	4.3
409.07776	1.1
433.23959	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2601
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01369	1.5
64.73779	1.2
69.03453	2.4
71.01386	1.4
73.02928	5.9
78.95904	13.9
81.03452	7.1
83.05028	17.5
85.02950	3.0
87.46614	1.3
93.03448	100.0
96.02164	1.5
96.96991	1.2
99.04557	1.9
111.04520	49.1
133.54129	1.4
137.02441	75.0
152.99602	31.0
155.03508	51.4
171.12813	1.7
173.04543	5.3
255.23210	1.5
258.23129	1.4
267.60156	1.4
277.21768	29.9
323.03568	1.9
433.26065	56.6
447.84134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.26
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
57.51605	0.6
57.56625	0.6
59.01379	2.8
61.98802	0.9
65.62589	0.6
68.97921	0.7
74.19432	0.6
75.35255	0.7
78.95904	3.4
94.05009	0.7
105.69738	0.6
115.88841	0.7
117.03441	4.9
119.05019	23.8
121.03040	0.9
145.02957	100.0
146.90826	0.7
152.99654	6.3
163.04016	27.4
197.57710	0.7
213.46661	0.7
269.21350	2.7
285.48801	0.7
287.22314	14.4
293.21198	3.7
361.19595	4.1
415.25323	1.0
433.18265	9.4
433.26007	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25612	0.9
55.19787	0.9
57.03453	2.2
59.01376	8.4
60.95503	0.9
71.01379	14.0
72.99319	1.8
75.00860	40.0
78.95898	31.8
83.02353	0.9
85.02928	9.2
87.00868	5.3
89.02438	1.8
91.59539	1.0
96.96939	5.2
97.02941	1.4
99.00864	17.4
114.05324	1.0
116.68767	0.9
129.01907	17.2
131.03488	1.5
141.01982	1.4
150.98004	1.1
152.99577	94.1
159.03012	2.5
176.26817	1.0
177.04054	25.5
187.22194	1.1
190.42952	1.1
255.23303	52.7
257.34448	1.1
261.84103	1.0
269.24890	5.4
279.23206	1.9
391.56039	1.1
433.23346	20.0
433.28113	100.0
439.16315	1.1
442.98547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05149	0.7
56.22529	0.7
58.32399	0.7
59.01385	15.3
60.14334	0.8
61.98827	1.5
71.01384	8.5
73.02942	3.8
78.95911	1.9
83.01402	1.3
85.02948	6.3
89.02437	1.9
92.22526	1.2
99.00893	1.8
101.02429	11.8
113.02444	5.0
125.02434	0.9
152.99602	6.9
271.22824	31.2
285.24213	0.9
293.25836	1.0
415.27109	4.2
433.08673	1.3
433.22803	5.9
433.28140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03432	0.5
59.01381	81.7
66.59515	0.6
67.96677	0.5
73.08360	0.6
78.95900	50.6
92.22449	0.6
96.96939	5.4
150.98004	1.3
152.99580	100.0
158.87529	0.6
171.00665	1.1
177.02252	0.9
198.00076	0.6
279.23260	2.4
366.18170	0.7
433.23645	38.0
433.33551	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3329
Annotation	3alpha,7alpha-Dihydroxy-5beta-cholestanate
Peak:m/z	Relative Intensity
58.21595	0.4
59.01380	0.7
60.99306	0.8
66.48195	0.4
77.00368	0.4
78.95899	15.3
87.57243	0.4
96.96928	0.7
102.18504	0.4
111.43944	0.4
152.98332	0.6
152.99579	14.9
225.02731	0.5
265.15793	0.5
371.33282	4.5
415.32333	4.8
433.23578	4.0
433.33310	100.0
446.62411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3328
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
52.37944	1.3
52.54462	1.2
55.73491	1.3
57.98691	1.2
61.83216	1.1
64.52628	1.1
69.91448	1.5
75.76472	1.1
78.95901	52.8
79.89211	1.1
83.21684	1.2
92.23023	2.0
93.00642	1.4
104.19979	1.3
118.99355	1.2
155.10768	6.1
160.71974	1.4
173.11836	79.7
193.87729	1.3
207.54893	1.4
265.15775	7.7
277.21756	94.4
353.36526	1.8
433.33475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01901	4.8
59.01384	15.9
60.01723	0.8
64.57207	0.7
65.99846	5.0
71.01377	4.6
83.98669	0.9
90.65177	0.7
91.01903	6.8
91.56629	0.7
93.03433	0.9
96.96012	4.8
96.99303	3.1
98.95589	8.3
98.96401	1.1
101.02457	0.9
109.02948	1.4
116.05048	11.6
118.06643	1.0
137.84930	0.8
141.03470	4.2
143.05046	1.3
144.04555	100.0
166.81874	0.7
171.85294	0.9
174.05630	8.0
280.60861	0.8
302.08331	0.9
316.09811	1.5
317.10724	1.0
318.11346	1.5
331.08789	0.9
339.26501	1.0
346.10883	12.0
390.10007	8.9
434.08881	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92699	0.3
57.41250	0.2
74.58243	0.2
79.14161	0.2
79.95735	1.1
96.96001	100.0
105.38860	0.3
110.41771	0.3
110.97501	0.3
133.51212	0.2
135.59566	0.2
142.96976	0.3
156.14609	0.3
206.73665	0.3
209.60982	0.3
225.99034	0.3
265.29767	0.3
311.46036	0.3
343.49640	0.3
434.09134	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87237	0.9
63.25852	1.0
69.05194	0.9
104.34915	0.9
136.59538	1.0
145.09055	0.9
152.99551	1.1
154.35547	1.1
202.43687	1.1
249.20219	1.0
284.10767	1.2
299.09772	1.1
300.10236	1.1
302.08359	8.0
312.06854	2.0
312.10342	4.4
313.10947	1.7
314.08215	5.9
315.09064	6.1
327.09177	1.7
328.09836	7.4
330.07648	5.6
342.07764	100.0
342.11429	9.2
345.10144	2.1
356.09305	7.0
357.10028	17.3
360.12418	5.4
372.12460	73.7
388.11996	6.3
390.13333	4.6
434.05981	2.0
434.12094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01289	0.4
55.05476	0.4
59.01373	0.5
64.44172	0.4
65.40620	0.4
72.32363	0.4
79.91031	0.4
80.15684	0.4
84.28616	0.4
85.23972	0.5
101.56111	0.5
184.00357	0.5
206.43787	0.5
230.11488	0.5
264.67636	0.5
306.04126	100.0
321.06467	16.3
336.08832	51.4
342.80338	0.5
434.12540	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41216	0.5
54.29247	0.4
59.01375	3.5
61.98834	100.0
79.32970	0.5
111.40646	0.6
122.29794	0.5
258.80435	0.7
365.94147	0.6
434.21219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04551	0.3
54.60537	0.4
59.01382	100.0
60.01713	10.9
60.61660	0.3
61.98833	1.9
71.01369	3.5
72.01741	0.6
72.71326	0.4
73.02964	0.6
85.02947	1.5
85.58419	0.4
87.95942	0.4
88.68812	0.4
89.02432	2.9
95.01393	0.5
98.95557	0.4
101.02444	3.4
102.02786	0.5
108.43024	0.5
113.02457	2.5
119.03482	0.9
140.68785	0.4
146.32024	0.4
147.55833	0.4
161.04575	2.0
161.75089	0.4
173.04506	0.6
179.05612	0.7
180.05917	0.7
199.41234	0.4
261.75208	0.4
278.84134	0.5
373.22549	0.5
374.22644	5.7
434.24969	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04551	0.3
54.60537	0.4
59.01382	100.0
60.01713	10.9
60.61660	0.3
61.98833	1.9
71.01369	3.5
72.01741	0.6
72.71326	0.4
73.02964	0.6
85.02947	1.5
85.58419	0.4
87.95942	0.4
88.68812	0.4
89.02432	2.9
95.01393	0.5
98.95557	0.4
101.02444	3.4
102.02786	0.5
108.43024	0.5
113.02457	2.5
119.03482	0.9
140.68785	0.4
146.32024	0.4
147.55833	0.4
161.04575	2.0
161.75089	0.4
173.04506	0.6
179.05612	0.7
180.05917	0.7
199.41234	0.4
261.75208	0.4
278.84134	0.5
373.22549	0.5
374.22644	5.7
434.24969	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	9.0
61.14152	1.2
61.98834	60.4
71.01362	7.2
73.02943	1.4
83.92046	1.1
87.41171	1.3
89.02459	5.4
100.38519	1.1
101.02439	6.3
102.97884	1.1
108.21642	1.3
113.02383	1.9
180.52986	1.3
193.94650	1.3
237.37813	1.5
280.70566	1.3
347.35724	1.4
374.22556	9.1
378.12753	1.4
421.56760	1.3
434.25211	11.0
453.70483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24386	0.2
52.29630	0.2
59.01369	0.3
67.80143	0.2
71.01383	0.4
75.00879	1.5
78.95906	100.0
85.02940	1.6
87.00890	0.5
95.01411	0.3
96.96960	19.9
99.00873	2.0
103.00368	0.4
113.02454	2.8
122.03735	1.4
137.02505	2.0
145.14238	0.2
146.03683	0.3
149.02405	0.3
150.25330	0.4
152.04774	0.6
157.01440	0.5
161.06064	0.3
164.04807	0.4
179.07150	2.2
191.07277	0.4
195.06628	0.4
209.08168	0.4
221.08044	0.3
241.01242	0.6
259.02267	13.7
281.66718	0.3
305.04318	0.3
337.07788	3.5
375.14636	2.1
413.77347	0.3
435.05508	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1089
Annotation	Inoscavin B
Peak:m/z	Relative Intensity
55.85577	1.1
56.11514	1.0
59.54253	1.2
61.98829	4.8
78.95903	2.5
79.01887	1.7
95.53369	1.2
124.48927	1.2
139.04037	2.7
140.98430	1.1
145.90346	1.3
152.99556	6.6
153.99905	1.5
154.99991	2.4
159.86510	1.2
165.01961	4.7
171.04510	6.0
179.03578	1.5
188.04878	1.5
190.99893	1.3
199.82056	1.2
200.04797	1.7
201.05515	1.3
204.00679	2.8
207.08162	1.5
216.04340	2.4
225.05664	2.9
251.07124	2.2
253.05113	6.0
254.05849	5.8
259.06180	1.3
269.08154	6.2
271.06210	1.3
282.05347	4.4
293.08444	1.3
295.06152	23.8
297.07837	2.1
305.07632	1.3
345.11304	6.2
349.10867	5.3
358.08569	5.5
361.10846	7.3
363.12381	18.8
373.10873	4.6
374.08157	12.9
389.10349	24.0
391.11914	17.4
403.08060	1.5
417.09906	4.9
435.10925	100.0
435.24619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44212	0.6
58.31910	0.5
59.01098	1.3
59.01379	22.2
60.83781	0.6
67.01887	2.8
71.01377	12.3
76.16354	0.6
85.02962	2.8
89.02434	22.3
99.77349	0.7
101.02416	7.5
111.00871	100.0
113.02397	5.2
119.03508	6.9
143.03497	13.6
174.70059	0.7
179.05585	5.8
242.03279	0.8
291.07190	4.0
323.09854	36.1
323.13742	1.2
435.11423	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71871	0.6
59.01373	2.1
69.03449	1.8
71.01386	2.1
73.68301	0.8
75.00878	0.9
77.71014	0.9
78.05663	0.8
83.01412	1.4
85.02953	7.0
87.00841	1.4
95.01351	0.9
97.02956	7.0
99.00869	4.2
100.22476	0.9
101.02410	1.3
103.67410	0.8
109.71048	0.8
111.00867	1.9
112.98765	1.1
113.02415	8.3
113.99589	10.1
115.00351	6.0
115.03223	1.7
115.03999	31.5
127.00375	1.8
129.01894	1.1
129.86253	1.0
139.00356	5.5
141.01900	1.2
150.03175	1.4
152.07666	0.9
157.01471	1.8
157.04970	1.1
165.05611	4.5
169.01428	1.2
174.01686	19.5
177.39902	0.8
191.05656	0.9
195.06647	1.2
195.35736	1.0
199.34334	0.9
240.99831	0.9
259.04645	1.3
327.10745	1.0
375.09253	2.0
382.11728	1.0
435.11438	100.0
435.80170	1.1
435.86874	0.9
436.31552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17952	0.8
55.01863	1.0
57.03443	4.6
59.01381	24.0
71.01375	25.4
72.99296	1.2
73.02950	3.7
83.01386	4.4
85.02941	24.2
87.00873	11.6
89.02431	13.0
93.03438	1.2
97.02899	1.2
99.00824	1.2
101.02443	11.7
111.00890	1.1
111.04521	7.2
113.02446	12.3
113.88033	0.9
115.00359	53.6
115.04002	6.7
118.96146	0.9
119.03490	4.9
119.91289	0.9
127.00363	7.2
130.96553	0.9
131.03453	0.9
131.30565	1.0
134.01707	1.0
155.03477	4.1
157.01387	1.3
161.04533	6.1
173.04546	2.2
175.02473	100.0
179.05617	1.7
185.02722	1.2
197.04564	2.2
273.04282	1.0
279.10855	8.7
300.00861	1.0
337.07587	1.4
341.39978	1.0
435.10324	13.8
435.15747	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27841	0.4
56.59374	0.4
59.01371	0.9
73.59257	0.4
85.02945	2.5
97.19809	0.5
153.12080	0.4
173.04501	0.6
191.05638	100.0
220.91621	0.4
253.29016	0.5
340.03989	0.5
345.75845	0.5
364.12222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13092	0.3
59.01374	1.7
71.53550	0.4
81.26936	0.4
85.02947	1.8
85.08904	0.4
87.00871	0.4
93.03434	0.6
111.04566	0.6
117.53027	0.4
127.03999	0.7
138.43352	0.4
165.05589	3.9
173.04604	0.5
176.04651	0.4
180.59206	0.4
191.05627	100.0
224.40007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.4
63.60532	0.5
71.01376	1.1
85.02951	4.1
86.73615	0.6
87.00877	0.6
89.02422	1.1
93.03440	2.6
98.89890	0.6
104.48172	0.6
111.04509	4.2
119.05019	76.2
119.99466	0.6
121.02948	9.9
124.09635	0.6
137.02492	1.1
148.15845	0.6
155.03502	4.6
163.04012	34.7
173.04567	11.7
187.07620	4.3
189.05582	1.3
191.05637	6.4
199.07707	0.7
212.43246	0.6
217.08705	8.3
261.07700	100.0
277.09326	0.7
298.06607	0.7
337.09192	7.2
375.16776	0.7
435.13034	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92346	0.6
53.72418	0.6
57.09117	0.8
57.75806	0.7
59.01383	7.1
60.99323	1.2
67.01890	1.0
71.01392	3.8
85.02950	3.6
87.00884	3.7
89.02440	1.9
93.03447	19.6
101.02410	1.5
102.43787	0.8
111.04517	3.8
111.08195	0.8
115.04004	4.8
119.03518	0.8
119.05020	4.4
137.02531	0.9
157.08698	0.9
163.03998	5.5
173.04547	31.1
189.05554	4.5
191.05629	100.0
196.09633	0.9
205.25279	0.9
245.06747	1.6
254.00615	0.8
261.07745	5.7
337.09357	14.7
435.12994	34.0
435.18784	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
60.99304	0.8
67.01891	1.4
67.19611	0.5
71.01367	2.9
71.99444	0.6
72.99321	1.1
93.03451	17.0
99.00894	1.2
100.21539	0.6
111.00932	0.7
111.04538	4.7
119.05029	7.7
137.02460	4.3
141.72322	0.6
155.03497	4.5
156.34917	0.7
163.04022	12.2
173.04552	100.0
173.09721	1.3
189.05556	0.8
190.77536	0.7
217.08820	1.4
261.07666	16.5
435.13043	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
65.30205	0.7
71.01382	3.1
83.05040	0.9
85.02955	1.3
91.93844	0.8
92.29703	0.8
93.03448	6.5
97.02947	0.8
101.02402	1.1
111.04539	5.6
119.05021	44.5
121.02936	5.8
127.03939	1.1
137.02396	1.0
155.03474	6.2
157.01376	0.9
163.04012	71.5
173.04544	22.3
173.05930	1.4
173.09697	10.9
175.25694	0.9
189.05621	1.1
195.46474	0.9
195.48460	0.8
217.08705	13.4
223.08266	0.9
261.07703	100.0
304.58490	0.9
310.61566	0.9
336.08029	0.9
435.13077	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.9
64.93869	0.3
67.01887	0.4
70.46712	0.3
71.01376	7.3
72.69695	0.3
83.05027	0.4
85.02946	4.8
87.00879	2.2
89.02439	10.5
93.03445	7.9
97.02964	1.8
101.02434	3.5
101.64035	0.3
111.04520	4.8
111.58997	0.4
113.02444	2.3
115.04011	4.0
119.03498	4.5
119.05019	84.0
121.02101	0.5
121.02953	8.8
138.43637	0.4
155.03525	5.6
161.04524	0.6
163.04018	36.9
173.04556	15.2
173.06070	0.6
173.09679	0.8
179.05618	8.1
187.07675	3.2
189.05609	1.4
191.05649	5.7
199.07681	1.3
212.49095	0.4
217.08696	10.2
261.07703	100.0
337.09244	6.9
435.13016	29.4
435.19116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53591	0.4
51.71165	0.4
56.87699	0.5
59.01382	13.7
60.46044	0.5
60.99326	0.6
62.22865	0.5
67.01891	1.2
69.21821	0.4
71.01384	4.0
72.77637	0.5
76.72749	0.5
89.02411	0.8
92.32645	0.6
93.03450	15.0
96.95997	0.7
98.95573	0.5
111.00845	0.7
111.04522	4.1
113.02457	1.2
119.05000	1.3
137.02408	4.3
140.89200	0.5
155.03484	3.6
155.10785	1.9
159.08102	0.7
161.01215	0.6
173.04546	100.0
191.05594	1.3
217.08755	3.7
220.14589	0.7
239.66624	0.6
261.07709	19.0
281.09991	0.6
417.12363	0.9
435.13022	9.7
435.17389	0.7
435.22437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70645	0.5
59.01376	3.2
67.01868	0.8
71.01376	3.1
76.19231	0.6
78.95906	1.3
85.02937	2.7
87.00854	5.4
93.03450	17.5
95.69074	0.7
109.48586	0.6
111.04509	3.6
119.05022	19.6
121.02908	2.6
145.02939	0.9
146.31670	0.6
155.03525	1.3
163.04042	10.1
172.69293	0.7
173.04543	23.2
189.05566	5.4
191.05618	100.0
206.06003	0.7
217.08684	3.1
221.08208	1.1
245.06665	1.6
253.21950	0.7
261.07712	22.4
322.47528	0.8
337.09296	15.9
435.06512	1.3
435.12994	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
59.81083	0.7
63.50318	0.8
66.08763	0.7
67.01896	0.9
71.01374	2.0
71.22045	0.7
85.02939	1.8
92.22489	0.8
93.03456	15.9
111.04515	4.6
119.05005	14.9
121.02939	1.2
125.50972	0.7
134.46252	0.8
137.02463	4.0
155.03545	5.6
163.04021	5.3
173.04558	100.0
191.05647	5.1
209.32504	0.9
217.08698	1.2
233.78505	0.9
261.07693	12.4
269.07660	1.0
337.09232	9.1
365.92206	0.9
435.13086	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08744	0.7
59.01382	100.0
59.76173	0.7
71.01380	11.4
78.63200	1.0
85.02954	1.4
87.00845	1.1
89.02435	24.8
97.02977	0.9
101.02451	7.4
113.02438	5.0
114.65973	0.8
115.03986	9.3
119.03472	9.7
143.03555	1.5
148.57750	1.0
161.04512	3.5
179.05614	24.5
230.56949	1.0
243.03339	1.0
349.29840	0.9
435.15128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21142	0.7
59.01383	100.0
60.66167	0.8
62.80203	0.7
71.01373	10.9
74.69009	0.8
89.02441	22.9
90.58805	0.8
101.02444	7.0
107.12962	0.8
113.02441	5.3
115.04026	7.1
119.03489	9.3
125.02844	0.9
143.03496	1.4
158.99606	0.9
161.04564	2.1
179.05626	21.6
182.02553	1.0
435.15747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52826	1.2
59.01383	100.0
71.01372	24.1
85.02956	2.6
89.02438	52.9
93.03467	2.2
96.96081	1.2
100.15372	1.3
101.02444	14.7
113.02446	10.3
115.04008	21.0
119.03483	25.7
119.04978	9.3
161.04587	5.6
163.03999	4.8
173.04625	2.6
179.05629	33.4
191.05658	1.7
201.74649	1.4
261.07660	8.6
435.13138	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	83.9
71.01376	64.8
72.99323	2.7
73.02944	13.6
78.95893	2.8
83.01391	14.6
83.05019	4.1
85.02951	21.0
87.00863	10.0
88.05291	2.7
89.02444	67.7
93.03448	18.9
97.02940	4.0
99.00866	4.5
99.04516	2.8
101.02436	38.7
109.02950	6.3
111.00883	12.2
111.04513	63.9
113.02460	26.7
115.00369	39.2
115.03994	10.1
119.03482	23.1
123.04524	3.3
125.06043	4.5
127.00380	5.8
127.03989	3.4
133.41847	2.4
135.02701	2.3
135.04512	6.0
137.02440	12.5
137.07990	2.7
139.03934	2.6
151.04008	4.0
153.05559	11.4
155.03508	57.1
164.81525	2.4
169.05075	4.6
173.04535	28.0
175.02486	63.3
179.03450	13.5
179.05531	4.5
185.02867	3.6
191.05673	2.8
197.04579	15.3
215.05719	11.4
265.25314	2.6
279.10904	94.5
283.58997	2.5
295.12097	2.5
331.26505	2.6
346.60486	2.6
396.76337	2.8
417.14142	16.1
435.15393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11946	1.1
59.01384	6.5
60.41589	1.0
66.31174	1.1
67.01913	1.7
68.49482	1.0
71.01382	5.6
74.18123	1.1
78.95912	1.6
85.02959	1.6
89.02444	1.8
93.03458	20.5
100.08380	1.2
101.02460	2.0
109.02924	10.2
111.04528	3.0
115.00384	5.0
119.05006	12.6
121.02903	1.5
122.03757	1.3
133.01462	2.2
137.02448	76.6
137.03499	2.7
151.03996	1.6
152.04787	39.7
155.03488	6.5
163.04012	8.1
166.02623	1.3
173.04547	100.0
176.04863	4.6
179.03430	1.8
184.03780	6.2
191.05611	2.4
191.07130	2.0
194.05861	10.3
205.05099	7.0
206.05933	12.1
209.08214	25.5
220.07431	6.0
221.08180	26.9
225.07724	7.9
237.07611	2.0
249.24973	1.6
261.07703	15.8
314.76132	1.2
337.09308	5.4
387.14545	2.6
405.15326	1.7
420.14404	2.3
435.17261	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1667
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
59.01376	6.4
59.52982	1.0
62.36178	1.1
65.30028	1.4
65.42307	1.3
68.99813	7.4
69.38494	1.0
75.74802	1.0
79.07248	1.2
81.80248	1.4
138.03242	7.1
139.04005	1.6
149.02501	1.6
153.01930	8.5
153.05602	19.2
165.01918	2.4
168.04297	11.4
176.01160	17.4
177.01881	2.2
178.02812	2.4
180.04340	2.8
181.05145	2.4
191.03506	27.2
192.04370	11.0
193.01428	20.1
193.05098	13.2
194.05971	1.8
196.07407	18.1
205.05183	1.8
207.06648	57.2
208.03781	32.7
209.04599	2.7
211.09793	6.0
223.06142	43.8
224.06953	14.8
343.67343	1.2
358.18219	1.3
435.16714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97399	3.5
59.01377	99.4
71.01372	89.3
73.02940	26.5
83.01479	4.8
85.02953	23.8
89.02436	100.0
98.06779	4.9
99.00866	69.2
101.02451	62.3
110.84341	5.0
113.02455	51.7
117.16088	4.4
119.03499	22.9
125.49908	4.4
131.03500	19.3
135.04469	4.5
149.04538	47.9
161.04543	19.2
176.42834	4.4
179.05626	5.3
191.05669	27.1
254.77431	4.8
255.06708	8.5
303.14465	18.5
319.34509	4.3
376.66138	5.4
435.13147	12.0
435.18665	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19613	0.9
59.01391	4.0
61.98813	2.2
63.33379	0.9
71.01380	1.9
71.05024	16.9
73.02947	22.3
78.95924	1.4
80.08675	0.8
87.00873	10.7
93.03488	1.5
94.98093	0.8
95.05024	9.8
97.06602	0.9
101.02437	11.9
108.76965	0.9
109.06593	8.8
111.04514	2.0
111.08167	1.1
113.02442	7.3
115.08780	1.1
121.06640	1.9
127.07672	1.3
129.01950	2.2
135.08177	4.6
137.06123	1.4
140.66220	1.0
147.08127	2.4
150.06892	1.8
152.99594	6.0
161.06058	1.5
165.09178	9.0
185.11838	2.1
187.11348	1.5
189.12854	17.2
191.69548	1.0
205.15952	10.0
231.13805	1.1
233.11882	7.4
243.17572	10.9
249.15024	15.0
287.16565	49.0
294.89948	1.2
305.17624	100.0
335.70465	1.2
355.19287	1.2
373.20248	6.4
381.96478	1.0
396.06747	1.1
407.77151	1.0
416.21390	1.1
417.18918	7.2
432.86053	1.0
435.19931	30.4
435.28708	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.203
Annotation	CHEBI:67659
Peak:m/z	Relative Intensity
59.01385	100.0
61.98849	1.5
68.50861	0.9
78.95912	10.6
79.77511	0.8
88.55755	0.8
92.22509	1.0
101.02455	1.0
104.64670	0.8
111.00996	0.8
118.70358	0.8
120.29085	0.9
124.64071	0.8
125.00111	8.3
134.70508	1.1
143.11101	0.9
152.99565	1.0
227.10800	1.1
234.19972	0.9
265.46573	0.8
301.14413	3.1
315.13812	1.0
358.09732	1.0
375.18134	1.5
400.25623	0.8
435.21228	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79879	0.9
59.01378	3.3
59.68753	1.2
60.92841	1.2
64.15829	1.1
65.17960	1.1
69.00887	1.3
70.58532	1.2
72.00391	13.6
72.97540	1.5
73.01173	1.4
87.00866	15.7
90.98585	49.4
92.09411	1.3
96.95979	1.2
115.99361	2.9
120.99669	2.6
135.01198	1.6
156.02669	1.6
168.39726	1.3
170.79823	1.5
179.00241	16.8
193.78833	1.2
219.67256	1.6
232.63480	1.4
273.11392	1.6
285.19009	41.0
301.18555	3.1
303.19897	13.0
329.17917	9.2
342.89563	1.5
347.19003	5.5
373.20462	13.7
391.21774	10.6
391.26059	1.6
400.93695	1.4
406.96249	1.3
417.19434	16.7
435.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	HC Toxin
Peak:m/z	Relative Intensity
55.55495	0.8
59.01380	37.5
67.34258	1.1
70.37607	1.2
71.01382	18.9
73.02953	5.2
83.01390	2.9
85.02953	10.8
89.02441	16.6
99.00881	1.3
101.02438	22.7
113.02418	11.9
115.03973	2.8
119.03484	5.3
129.53038	1.1
143.03395	1.4
161.04668	1.4
166.83864	1.6
228.11581	2.4
229.12325	12.2
237.15070	1.8
255.16011	5.9
273.11423	8.3
307.65598	1.1
337.15222	1.5
337.43271	1.1
399.20526	2.1
417.21228	15.7
435.17172	12.0
435.22498	100.0
452.71039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42490	0.4
69.09711	0.4
78.95900	26.4
80.44064	0.4
82.04980	0.5
92.23110	0.6
96.96956	4.3
99.37608	0.4
99.76319	0.4
150.98058	0.9
152.99593	100.0
171.00679	3.8
220.99693	0.5
265.59271	0.5
281.24908	2.3
435.25226	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29123	0.3
64.64740	0.5
71.46841	0.4
78.95899	45.9
79.47953	0.4
81.56997	0.5
91.29431	0.4
92.22550	0.6
96.96928	4.9
105.57893	0.5
119.82346	0.5
150.98036	2.0
152.99580	100.0
167.54718	0.4
171.00618	2.1
174.76483	0.6
178.46507	0.5
194.63667	0.5
216.57494	0.5
267.73685	0.5
268.78064	0.5
281.24869	3.2
320.10367	0.5
435.25211	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61721	0.4
78.95902	42.3
96.96963	4.6
150.98041	1.7
152.99586	100.0
171.00626	3.1
194.79022	0.5
221.73085	0.5
261.59134	0.5
277.92578	0.4
281.24936	3.4
435.25232	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01726	0.3
63.38808	0.3
65.20199	0.3
78.95905	42.5
94.32002	0.4
96.96950	4.3
149.04794	0.4
150.97993	0.9
152.99585	100.0
171.00633	2.1
176.89996	0.4
213.74719	0.3
266.22659	0.4
281.24918	3.1
418.88806	0.5
435.25192	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56858	0.4
56.39334	0.4
58.35147	0.4
72.91364	0.4
77.41405	0.4
78.95902	25.4
89.06738	0.4
96.96946	3.9
150.98021	0.8
152.99583	100.0
171.00624	3.9
199.03761	0.8
203.89818	0.4
281.24905	2.0
353.47958	0.6
435.25153	26.6
435.31174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63229	0.4
57.66867	0.4
78.95904	38.8
96.96972	3.1
150.98035	1.1
152.37003	0.6
152.99590	100.0
171.00659	1.9
281.24933	3.0
327.10269	0.5
403.74326	0.6
435.25226	42.4
439.51474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.94597	0.5
71.01383	5.4
73.02946	3.7
75.00836	0.7
83.01392	2.2
85.02941	2.6
89.02445	2.2
92.14326	0.5
99.00898	1.3
101.02448	8.4
113.02411	4.2
122.53281	0.6
123.02213	0.5
153.05569	0.6
159.02989	0.6
161.04532	2.1
178.02649	0.7
191.03560	1.3
193.01343	0.6
199.13460	1.3
207.06648	3.0
208.03809	1.1
223.06125	2.9
234.52759	0.6
289.16656	2.9
345.14929	0.6
373.75055	0.6
375.23978	13.3
407.72070	0.6
419.22919	0.8
435.16565	5.7
435.26871	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.13411	0.7
64.08805	0.7
71.01376	3.7
73.02953	1.1
80.52174	0.8
82.69820	0.6
85.02941	3.0
101.02422	5.3
113.02414	1.4
118.22514	0.7
119.03477	0.8
127.07642	0.7
138.59534	0.9
151.86894	0.7
152.99518	1.2
153.05586	1.4
176.01033	0.9
185.85898	0.7
189.04248	1.0
191.03392	1.2
192.04271	0.8
193.01410	1.3
193.05121	1.0
196.07408	0.9
199.13358	3.8
207.06656	3.1
208.03751	1.5
223.06024	1.2
231.46185	0.9
295.98059	0.8
317.53430	0.8
329.98102	0.9
345.14536	1.1
358.53558	0.9
375.23947	13.8
400.64471	0.7
435.16608	4.9
435.26248	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83685	0.6
54.83710	0.7
59.01380	100.0
71.01374	4.4
73.02959	1.3
78.95911	0.8
84.40302	0.8
85.02943	1.7
89.02438	1.4
94.65511	0.7
96.95993	2.0
101.02451	4.6
113.02457	1.0
115.45916	0.9
143.65669	0.9
152.99551	1.2
161.04619	1.0
375.23926	16.7
419.22821	1.6
435.26279	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63212	0.5
59.01384	100.0
71.01380	3.5
72.86342	0.6
73.02947	1.5
85.02943	2.5
89.02444	0.8
90.25915	0.6
101.02449	4.8
104.44703	0.6
105.30974	0.6
113.02435	4.1
135.92838	0.6
153.63057	0.6
161.04570	2.6
213.15041	2.9
218.88626	0.8
319.44073	0.7
375.20126	2.4
375.24139	10.0
435.26266	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52974	0.5
53.63314	0.5
59.01382	100.0
62.78933	0.5
63.56438	0.6
66.88805	0.5
71.01380	5.6
73.02929	1.0
85.02949	1.1
89.02454	0.9
90.27930	0.7
99.00861	0.7
101.02431	4.8
103.04018	0.8
109.16646	0.6
113.02446	3.8
125.24195	0.6
161.02370	0.8
161.04556	1.0
165.01921	5.7
179.03470	4.2
180.04286	9.8
194.05832	2.9
195.06619	10.1
209.08165	2.3
210.05348	1.4
225.07684	8.3
234.30856	0.6
281.26791	0.6
302.31375	0.6
357.09650	2.5
375.23947	18.3
387.14554	3.3
388.99918	0.8
435.26099	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64937	0.7
59.01384	74.5
63.11498	0.9
78.95900	38.6
78.96360	1.4
96.96015	1.4
96.96953	2.1
98.37460	0.9
102.16736	1.0
144.72107	0.9
150.98003	0.9
152.99588	100.0
171.00627	1.1
179.00146	2.0
256.44601	1.1
281.24823	1.7
289.51086	1.0
319.22955	1.1
335.22296	1.1
435.25320	39.8
435.31104	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33828	0.8
51.44953	0.7
51.72992	0.7
57.72878	0.8
59.01381	100.0
60.42334	0.8
75.52372	0.8
78.49666	0.9
78.63216	0.9
78.95910	14.4
94.74828	0.9
94.93592	0.9
96.96017	1.3
96.96949	0.9
120.62095	0.9
152.99582	33.7
153.25526	1.0
241.53308	0.9
281.24918	1.4
435.25134	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78085	1.4
53.78165	1.7
59.01374	2.1
68.03167	1.5
69.03455	2.1
72.97466	1.8
73.02949	4.2
73.30300	1.7
75.46494	1.6
78.95877	21.8
81.03450	7.3
82.80674	1.6
83.05027	16.5
91.20689	1.6
93.03452	100.0
96.02211	2.3
111.04517	42.5
137.02443	72.7
140.02531	1.7
152.99590	58.5
155.03496	57.1
173.04488	3.1
185.70987	1.8
192.31705	2.0
248.79965	2.0
277.21716	11.5
279.23306	53.5
435.27689	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
58.40566	0.8
65.03955	1.1
65.36895	0.8
78.95911	19.4
81.03458	2.3
81.64642	1.0
83.05026	16.7
93.03451	93.1
96.96014	1.2
111.04517	34.6
137.02440	100.0
152.99588	42.7
154.99976	1.3
155.03505	81.7
162.46393	1.4
189.29385	1.0
246.06874	1.0
255.10294	1.2
279.23291	28.2
290.56979	1.1
402.72079	1.2
435.25845	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48287	0.8
59.01369	3.6
71.01378	2.0
73.59332	0.9
78.95901	6.9
81.03452	2.2
83.05026	12.2
93.03449	100.0
109.02918	1.4
111.04514	58.8
111.05281	2.1
115.78914	1.0
128.91292	1.1
137.02438	50.2
152.99577	15.3
155.03500	95.8
158.48849	1.0
253.06750	0.9
277.21799	4.7
279.23291	7.8
303.08148	1.0
343.63263	1.1
374.40994	1.0
394.52969	1.2
435.25006	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23539	0.9
59.01105	1.8
59.01386	45.3
70.64614	0.9
74.28402	1.0
78.95905	39.4
78.96362	1.4
84.15610	1.0
86.93874	0.9
89.82609	0.9
96.96940	2.2
127.63634	1.1
152.99590	100.0
170.30821	1.1
171.00615	1.5
254.56355	1.0
277.21756	57.9
281.24811	2.0
393.39063	1.0
435.25214	39.8
456.44870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35620	0.3
55.71310	0.3
59.01311	0.3
59.86074	0.3
60.08587	0.3
63.38749	0.4
63.60626	0.4
67.24677	0.4
69.32475	0.4
78.95903	12.8
79.95265	0.7
79.95735	20.5
80.96518	2.2
96.96960	0.8
99.08160	2.2
115.07658	1.7
132.16202	0.4
151.04367	0.6
152.98349	1.1
152.99593	32.3
171.00620	0.6
174.61185	0.5
179.03848	100.0
193.05466	0.9
201.99487	0.5
202.01505	0.5
255.23325	2.5
281.24762	0.6
367.04163	0.5
375.03656	0.4
435.25082	13.5
435.30328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41628	0.3
56.28970	0.3
65.73132	0.3
69.44487	0.3
78.95888	3.3
79.95736	23.7
80.96513	2.2
93.72053	0.3
99.08125	2.9
115.07656	1.8
135.04535	5.1
151.04367	1.6
152.99577	7.1
174.62978	0.4
179.03839	100.0
255.23332	2.5
349.91769	0.4
435.25427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28797	0.6
57.19258	0.6
59.08760	0.6
60.39140	0.6
65.07618	0.6
72.76524	0.7
75.00821	0.7
78.95891	10.2
79.95734	23.3
79.96185	1.2
80.96502	1.2
86.05611	0.6
90.32374	0.7
99.08215	1.1
115.07618	1.2
152.99570	20.8
179.03839	100.0
183.29526	0.9
255.23306	3.5
314.58017	0.9
419.10703	0.8
435.25168	8.0
435.30414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39408	0.3
59.24799	0.3
60.38050	0.3
62.21518	0.3
62.85766	0.4
64.97022	0.4
69.45961	0.4
74.38261	0.3
78.95901	1.9
79.95734	21.0
80.96514	2.1
99.08145	1.7
109.42400	0.4
115.07626	1.8
151.04398	0.5
152.48648	0.4
152.99568	2.5
179.03842	100.0
255.23373	2.4
316.55902	0.4
391.26434	0.7
435.25598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3018
Annotation	Nakinadine C
Peak:m/z	Relative Intensity
57.42190	0.4
60.06428	0.4
68.34624	0.5
78.95905	6.9
81.29581	0.4
89.93528	0.5
92.67238	0.5
93.09204	0.5
104.89204	0.5
116.05054	100.0
152.99591	15.9
173.07187	11.6
353.90717	0.5
435.25183	6.1
435.30209	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20681	0.8
57.08514	0.7
78.95908	4.8
95.01376	0.9
96.95983	5.4
103.46711	0.7
120.98632	0.6
152.99597	6.7
157.08760	1.4
175.09840	0.9
270.87570	0.8
277.21750	100.0
279.23276	1.7
391.28406	4.9
435.25305	1.5
435.31445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.312
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
59.01382	76.2
62.67368	1.2
78.95895	27.3
82.15244	1.3
89.05756	1.3
96.96940	1.8
102.78982	1.4
107.35397	1.5
141.09212	3.4
152.99593	63.9
159.10271	36.5
181.31921	1.8
183.13882	2.2
195.13966	11.3
223.13423	10.2
224.84076	1.5
275.20160	8.8
277.21741	81.1
279.23264	5.7
293.21326	23.2
365.23239	2.0
410.62244	1.4
435.25177	29.4
435.31198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
86.37908	0.4
99.92591	3.9
100.93362	46.7
113.02452	2.1
113.92565	0.5
115.92071	100.0
116.92824	0.8
136.18761	0.4
151.08754	0.4
242.40021	0.4
408.87741	0.5
436.16885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
73.43304	1.6
100.15968	1.9
100.93349	30.4
103.25389	2.1
105.64389	1.9
115.92068	100.0
116.10303	1.8
144.69951	2.1
249.22586	1.9
315.38266	1.8
333.41504	2.1
380.00467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02461	0.3
55.82736	0.4
98.63994	0.3
99.92583	3.0
100.93365	45.4
115.92075	100.0
116.92870	2.1
132.92360	0.7
155.43054	0.3
161.04810	0.4
171.12453	0.5
176.03513	0.7
370.66220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34081	0.8
56.77384	0.8
61.98840	2.3
66.36383	0.9
78.75848	0.9
80.98441	1.1
91.75148	1.0
113.13755	1.0
146.51329	0.9
260.07172	11.1
261.07950	5.3
273.07965	4.2
274.08768	6.1
275.09531	59.3
286.08688	4.5
287.05957	1.5
288.06699	100.0
290.11807	8.0
302.08273	15.6
303.09018	15.8
307.04456	1.7
308.04767	4.9
316.06348	3.5
316.09665	1.9
318.11359	37.1
330.07755	2.1
331.08505	4.5
332.09180	4.6
338.09418	3.9
346.10855	6.0
392.11459	95.7
436.10309	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55056	0.3
57.19806	0.3
60.18986	0.4
61.98833	100.0
78.54689	0.4
79.76511	0.4
84.58702	0.4
107.61687	0.4
113.02444	5.1
114.02799	1.8
115.02866	1.6
137.78523	0.4
190.21379	0.5
190.96797	0.5
199.32162	0.4
278.10501	0.5
318.93878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18058	1.1
59.01378	1.7
65.43861	1.2
71.01379	7.9
73.02943	1.1
77.64692	1.0
81.03442	4.7
84.04536	9.2
85.02937	2.9
87.00877	2.7
93.03452	5.7
94.03804	1.9
98.02520	1.2
99.04500	9.2
101.02425	7.3
101.06057	1.6
113.02460	2.5
119.05016	4.8
120.05337	1.9
128.03490	1.8
130.05104	1.7
161.04536	2.7
163.04039	1.3
164.04280	1.4
173.04512	2.5
174.04906	1.9
192.06055	1.4
261.07730	1.4
262.08038	2.7
282.22784	1.2
302.11826	1.2
334.14780	1.3
353.54752	1.2
389.14536	31.2
436.14542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	14.8
66.50664	3.6
69.40199	3.0
71.01382	14.5
72.57574	4.0
75.31473	3.1
78.70108	4.1
84.04539	7.5
87.00853	5.5
88.01329	3.2
89.02404	3.4
92.22479	4.0
99.04494	6.7
103.43143	3.4
104.53843	3.6
106.83994	4.5
113.02409	3.9
170.38380	4.0
173.04539	24.8
174.04919	7.5
262.07953	7.3
311.38553	4.0
369.10043	4.6
389.14627	25.6
436.14560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11478	1.6
57.88729	1.8
59.01385	8.1
65.36658	1.5
71.01385	10.5
73.02966	2.5
81.03461	2.0
82.33447	1.7
84.04545	11.1
85.02964	3.1
87.00862	4.1
99.04522	8.6
101.02457	3.9
113.02490	3.7
119.05001	3.7
161.04610	3.9
163.03984	2.3
186.66173	1.9
261.07739	3.0
262.07983	3.5
389.14633	28.6
436.14645	100.0
444.55585	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73128	1.2
53.09892	1.2
61.71170	1.4
61.98846	2.5
78.95915	3.2
79.95734	29.8
80.96508	6.7
96.96014	2.9
127.51987	1.6
127.87057	2.6
142.95027	1.6
144.35667	1.7
152.99596	8.8
153.99860	1.6
157.12343	16.7
197.34094	1.6
214.14568	14.3
221.08545	100.0
278.10693	43.6
312.57574	1.7
384.19241	2.0
437.29282	1.5
447.36606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38010	1.0
59.01366	2.2
78.95913	13.9
86.77663	1.0
93.27164	1.0
107.33156	0.9
115.15753	1.3
134.44565	1.0
140.01201	4.5
152.99588	2.3
177.19354	1.1
192.23943	1.0
196.03836	10.7
214.05057	2.0
239.20183	100.0
253.90640	1.2
255.67273	1.3
301.62534	1.3
436.11102	2.0
436.24756	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73443	0.7
56.83231	0.9
61.98833	1.4
78.95905	5.2
128.04340	0.8
140.01184	3.9
152.99602	1.2
160.98758	1.0
172.77458	0.9
196.03807	1.4
214.04929	5.0
239.20168	100.0
277.98691	0.8
339.13412	0.9
379.74844	1.0
436.24692	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.284
Annotation	Terpendole E
Peak:m/z	Relative Intensity
51.88414	2.9
55.29638	3.3
57.02044	3.3
59.17197	3.4
62.80733	3.8
63.10520	3.4
63.71182	3.6
67.95134	3.7
72.56952	3.5
86.60141	3.9
92.23061	4.1
102.05605	5.3
103.03989	10.2
146.08231	21.9
152.99591	5.4
158.08202	4.6
206.15254	4.6
253.21779	5.4
266.93967	5.0
343.07971	4.5
400.30688	100.0
436.28284	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75985	1.7
55.79143	1.9
59.01392	2.7
60.79258	1.9
65.92078	2.0
81.46293	2.1
89.02461	2.7
99.00835	2.5
99.92582	14.9
100.93358	100.0
108.21360	2.5
110.20862	2.4
115.92067	98.3
116.92848	58.9
119.05043	20.3
142.94441	15.0
143.40840	2.5
145.02956	85.3
150.14171	2.3
158.72919	2.1
161.16862	2.2
163.03999	25.5
168.95953	9.6
187.04114	3.2
192.96060	3.0
210.97087	54.4
218.97624	2.5
228.98097	80.9
262.96512	3.3
272.03668	2.7
291.08746	25.2
296.08588	2.4
357.01001	3.2
375.01788	50.6
393.02936	4.4
407.00760	74.2
437.01550	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67113	1.3
59.01377	9.0
71.01360	3.9
72.46873	1.4
73.02935	1.8
78.39127	1.3
79.64637	1.3
82.95415	2.4
85.02930	1.7
89.02439	3.7
99.92573	12.3
100.93354	36.3
101.02461	6.1
111.00877	8.8
113.02418	2.3
113.07234	1.6
115.92066	43.0
116.92852	18.4
119.05007	14.7
123.00920	3.2
145.02965	7.4
163.04051	23.9
168.95992	3.2
192.95985	8.2
202.98059	2.1
206.93919	2.5
207.94620	11.0
210.97032	29.6
218.97607	3.8
224.95117	2.4
228.98163	5.5
230.97539	2.9
231.59828	1.6
246.97083	2.7
262.96469	2.8
263.11423	2.2
279.10855	2.9
291.08823	2.3
299.19260	1.7
345.37231	1.8
357.00757	100.0
412.42975	1.8
437.02118	1.9
437.16269	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26569	0.5
57.07733	0.5
57.27979	0.5
59.01389	0.9
64.31655	0.6
66.44155	0.5
71.67188	0.6
75.00876	4.5
79.95740	6.3
81.16111	0.8
91.83720	0.7
96.96009	100.0
98.34700	0.7
109.87512	0.7
133.22736	0.8
161.20821	0.7
173.11803	1.2
289.98215	0.6
312.10144	2.7
358.20340	0.8
437.09183	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31939	0.2
56.19885	0.2
57.75551	0.2
59.01368	0.3
59.72997	0.2
62.54360	0.2
71.01396	0.4
75.00883	0.5
84.82375	0.2
85.02895	0.3
97.02943	1.1
105.01945	0.4
105.03480	0.4
115.04012	2.0
132.57924	0.2
133.02975	2.2
139.20558	0.2
149.02359	0.2
149.90973	0.2
176.01192	1.2
177.01936	100.0
205.03468	0.3
215.03470	0.4
256.99823	0.2
339.07239	1.3
437.10938	19.0
437.24185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	3.7
59.01384	78.6
62.61320	2.1
66.89420	2.2
67.63485	2.2
68.99818	2.5
71.01385	58.0
73.02949	31.2
74.37355	2.2
83.01397	3.9
85.02950	17.6
87.00880	15.1
89.02449	37.1
95.01395	3.1
99.00890	21.4
101.02438	76.4
111.00869	29.0
113.02444	40.3
114.15186	3.0
119.03487	17.2
129.16235	2.6
134.57439	2.8
146.08250	4.2
159.02977	5.6
161.04535	27.5
187.25650	2.8
241.43703	3.0
263.11417	5.2
267.09302	2.6
269.10330	6.4
275.05371	2.8
305.12650	6.0
305.16095	17.1
389.43295	2.8
395.15662	12.7
401.14545	100.0
401.19696	3.6
437.10907	19.9
437.16165	31.3
437.20441	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40752	1.8
52.41005	2.1
53.60981	1.9
59.01379	2.5
63.46697	1.9
71.01372	4.7
74.02470	72.4
80.97958	2.2
84.04548	3.3
86.02444	2.6
88.04025	4.1
96.04575	5.6
99.05627	10.4
100.00397	63.2
111.05635	20.9
112.04009	4.3
113.07194	16.5
114.05602	10.3
115.04021	2.3
121.13801	2.0
123.05625	9.5
128.03552	16.8
131.01744	10.8
135.05658	2.5
139.05161	2.3
140.03545	23.0
143.04617	55.7
153.06711	5.5
155.04625	41.6
157.06178	46.4
159.02957	9.7
169.86874	2.6
176.05641	2.5
177.03412	50.1
185.05670	2.6
191.05624	3.0
215.06755	46.6
219.04390	4.0
249.05521	100.0
279.06512	9.0
297.94022	2.6
305.09918	9.7
321.07770	2.9
339.08609	18.9
347.09235	43.6
369.59225	2.8
377.10358	2.8
437.12485	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1611
Annotation	Lupinol A
Peak:m/z	Relative Intensity
50.28713	1.0
50.67997	0.8
52.61269	1.0
56.97628	1.0
59.01363	1.5
61.98830	15.7
67.29158	1.1
69.76976	0.9
71.82999	1.1
75.46003	1.0
78.52974	1.2
78.95908	2.3
96.95992	1.6
98.70963	1.0
104.92802	1.1
105.07060	1.2
107.05016	2.7
109.02938	11.0
121.02924	1.4
123.08080	1.6
126.00323	1.5
147.08156	23.6
149.06114	4.9
152.99568	7.3
157.88116	1.1
161.06062	1.9
189.01924	1.7
191.07155	77.6
217.05048	7.3
219.10271	2.3
245.08273	9.8
257.08212	27.1
269.08093	4.7
315.98215	1.3
362.79074	1.3
416.34503	1.3
437.16110	100.0
437.25040	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42778	0.4
59.01389	0.9
62.14470	0.5
71.01374	0.8
72.99294	0.9
75.00867	100.0
79.90036	0.5
80.66000	0.5
83.54538	0.5
97.05127	0.6
100.93336	1.2
106.83244	0.5
113.02471	0.9
115.92066	1.1
121.47433	0.8
161.04559	0.9
278.32977	0.5
279.10721	0.6
376.31934	0.7
385.71484	0.6
437.14191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76912	2.2
59.01382	83.2
67.98925	2.2
69.03451	9.7
71.01378	45.2
73.02941	11.3
75.64043	2.2
81.03462	3.1
83.01385	4.9
85.02948	15.2
87.00851	3.8
89.02444	29.0
95.01379	9.6
101.02441	52.0
111.00861	28.6
113.02444	33.3
119.03501	4.8
131.03482	28.2
138.88367	2.3
161.04553	14.2
177.05487	2.5
189.44972	2.3
195.06644	3.2
210.47054	2.8
246.61229	2.6
263.11371	100.0
279.10840	21.8
286.85168	2.5
437.13501	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60832	0.7
59.01373	1.3
60.72384	0.6
65.37270	0.7
73.02938	18.5
81.03465	0.9
83.05029	3.6
85.02941	5.0
90.40605	0.6
93.03448	41.6
99.00887	7.1
99.04488	5.8
111.04510	26.4
113.02483	1.0
117.90540	0.7
129.01947	2.8
137.02448	21.3
141.41345	0.7
143.03502	3.6
143.21320	0.7
155.03513	12.0
159.83623	0.7
173.04543	100.0
183.00169	0.7
248.49959	0.7
370.46994	0.9
396.57639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54440	1.5
59.01383	25.3
59.66750	1.5
67.64389	1.5
71.01380	32.3
71.05026	2.2
73.02934	8.5
75.00889	1.8
78.83999	1.7
81.03455	20.9
84.02160	1.7
85.02945	14.9
89.02450	3.4
99.00867	2.5
99.04514	37.2
101.02451	28.5
103.52386	1.7
104.54661	1.8
113.02454	18.9
119.03481	2.1
138.23293	2.0
138.25151	1.7
159.02991	2.5
161.04518	20.9
223.47530	1.6
279.10861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48560	0.7
59.01380	2.0
71.01385	1.5
73.02944	20.6
75.00875	1.5
83.01398	1.1
83.05049	4.1
85.02948	4.7
93.03447	38.3
99.00871	6.1
99.04522	8.3
101.02409	1.7
101.84990	0.9
102.05579	5.7
111.04510	26.6
113.02416	1.1
129.01953	2.0
137.02460	18.6
139.21214	1.0
143.03491	5.7
147.13048	0.9
155.03517	14.6
173.04552	100.0
173.08055	1.7
259.22061	0.8
436.63461	0.9
437.13605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1822
Annotation	Xerophilusin VI
Peak:m/z	Relative Intensity
57.03427	0.7
59.01398	7.2
61.98824	1.3
63.41050	1.0
69.55545	1.0
71.01392	3.4
73.02943	1.0
82.23672	1.0
89.02451	3.6
92.23160	1.1
113.02469	2.1
113.05382	1.0
120.76196	0.9
132.02144	1.7
133.02928	4.3
134.03717	10.8
149.06052	1.8
160.00368	2.2
160.01657	54.8
175.03995	100.0
177.01915	1.2
178.02730	1.5
188.88245	0.9
193.05038	5.8
264.55746	1.0
347.59937	1.1
437.18170	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46247	1.1
54.50946	1.2
59.01385	2.7
64.46036	1.2
83.03540	1.4
99.63374	1.4
102.73159	1.3
105.26698	1.4
111.04488	1.5
127.04005	2.4
138.74026	1.4
152.99597	1.7
181.12285	2.0
197.11732	1.4
228.13707	2.0
265.18042	8.6
271.03012	1.6
274.94089	1.4
283.19153	100.0
357.22818	6.5
383.20728	8.6
401.21793	50.3
437.22916	3.3
463.70355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30838	0.4
57.45482	0.5
73.42178	0.5
79.95730	16.3
79.96176	0.7
80.96518	4.4
96.95996	9.3
99.44189	0.5
103.78698	0.6
104.56760	0.5
125.09694	7.9
130.74829	0.6
140.76193	0.5
152.69608	0.6
170.11810	1.0
186.11360	61.3
186.92560	0.6
218.05246	0.7
222.08003	2.5
250.07561	100.0
266.07144	1.2
266.10504	1.0
266.85986	0.7
437.19592	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18915	2.3
57.03454	4.7
59.01382	53.3
71.01379	87.4
73.02944	30.3
73.13836	2.5
83.01378	14.3
85.02935	35.8
87.00870	6.1
89.02446	32.5
95.01382	4.5
97.02918	3.3
99.00874	6.4
100.93385	5.2
101.02437	57.7
106.55591	3.1
111.00865	20.2
113.02438	46.4
115.92040	12.6
116.92059	4.8
119.03455	5.2
143.03537	4.7
143.10764	19.3
149.04510	4.6
159.03011	5.3
161.04572	25.9
170.56133	2.5
293.08789	5.4
294.77917	2.9
305.16064	80.8
308.16248	2.8
314.60257	3.2
401.14490	27.5
437.11804	5.9
437.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00859	0.9
56.48666	0.9
57.48247	0.8
59.01385	100.0
70.18398	1.0
71.01381	15.0
72.76949	1.0
75.00874	1.9
85.02957	2.5
89.02441	23.4
101.02447	11.7
111.00898	2.0
112.98532	1.4
113.02432	8.9
118.57141	0.9
119.03526	7.9
119.96555	1.0
161.04541	6.6
173.73257	1.0
179.05670	7.8
211.48283	1.1
377.18243	32.1
406.45837	1.1
437.20190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
52.18915	2.3
57.03454	4.7
59.01382	53.3
71.01379	87.4
73.02944	30.3
73.13836	2.5
83.01378	14.3
85.02935	35.8
87.00870	6.1
89.02446	32.5
95.01382	4.5
97.02918	3.3
99.00874	6.4
100.93385	5.2
101.02437	57.7
106.55591	3.1
111.00865	20.2
113.02438	46.4
115.92040	12.6
116.92059	4.8
119.03455	5.2
143.03537	4.7
143.10764	19.3
149.04510	4.6
159.03011	5.3
161.04572	25.9
170.56133	2.5
293.08789	5.4
294.77917	2.9
305.16064	80.8
308.16248	2.8
314.60257	3.2
401.14490	27.5
437.11804	5.9
437.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18915	2.3
57.03454	4.7
59.01382	53.3
71.01379	87.4
73.02944	30.3
73.13836	2.5
83.01378	14.3
85.02935	35.8
87.00870	6.1
89.02446	32.5
95.01382	4.5
97.02918	3.3
99.00874	6.4
100.93385	5.2
101.02437	57.7
106.55591	3.1
111.00865	20.2
113.02438	46.4
115.92040	12.6
116.92059	4.8
119.03455	5.2
143.03537	4.7
143.10764	19.3
149.04510	4.6
159.03011	5.3
161.04572	25.9
170.56133	2.5
293.08789	5.4
294.77917	2.9
305.16064	80.8
308.16248	2.8
314.60257	3.2
401.14490	27.5
437.11804	5.9
437.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
59.01342	0.9
63.37937	0.7
65.20895	0.7
75.75411	0.9
78.95470	1.7
78.95903	43.0
81.68626	0.8
96.96931	4.8
98.73851	0.8
107.57619	0.9
152.99585	100.0
154.55641	0.9
155.85236	0.8
165.76733	0.9
171.00667	1.7
253.04176	0.9
277.17719	1.0
283.22867	3.0
437.23032	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
50.79103	4.6
61.98827	6.9
64.27108	5.7
67.84206	6.2
73.35748	6.3
76.63255	6.6
79.95732	6.3
113.03568	35.1
114.01952	9.1
124.86504	6.7
131.04639	100.0
139.26979	6.3
152.99619	9.9
183.64746	6.8
189.55048	8.2
310.61526	6.9
377.65250	7.2
388.06946	7.4
437.23514	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
61.33409	8.5
61.98815	12.1
90.66966	9.4
115.64164	9.4
152.99564	15.7
156.10330	9.8
197.15112	11.9
428.87469	10.8
437.23160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46897	14.2
78.95872	26.7
83.94512	21.2
92.22546	19.1
111.00730	16.7
117.22163	20.1
152.99577	89.9
172.20102	18.6
206.02249	31.7
233.89713	19.9
245.40913	19.4
259.05869	24.3
297.07745	98.6
365.13834	42.5
393.13373	100.0
437.12637	97.7
437.25931	40.6
448.01242	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83253	0.7
59.01390	11.3
61.74389	0.7
78.95901	17.2
96.96947	0.9
109.95811	0.8
111.42278	0.8
112.43987	0.8
150.98129	1.0
152.99591	48.5
163.86154	0.9
186.26436	1.0
204.24672	0.8
236.63841	0.8
277.21756	100.0
283.26395	1.0
332.95740	0.8
355.52216	0.8
437.26752	20.1
437.32504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2678
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
51.83134	0.4
62.48855	0.5
78.95899	9.6
125.00067	3.2
152.99629	5.2
155.00006	2.1
181.02699	5.8
199.03775	2.1
255.23312	100.0
437.26794	40.3
437.32489	1.0
447.46469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2681
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
67.69823	1.1
78.95902	45.4
88.97177	1.2
96.96970	1.5
140.42834	1.2
143.58188	1.3
148.57649	1.3
152.99591	100.0
171.00624	2.4
277.21814	6.8
283.26566	3.0
288.60089	1.7
302.60641	1.4
368.79453	1.4
437.26767	45.0
437.32706	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19300	0.5
72.40112	0.5
77.48826	0.5
78.25601	0.5
78.63751	0.5
78.95898	9.7
105.50781	0.5
125.00079	4.3
152.99586	5.6
153.19675	0.6
181.02724	7.6
199.03763	1.1
229.65904	0.7
255.23312	100.0
268.93179	0.6
334.01514	0.5
437.26807	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43959	0.4
56.82382	0.4
78.95911	8.1
92.23077	0.5
116.57197	0.5
125.00091	4.8
134.13560	0.5
152.99550	5.8
155.00003	0.7
181.02742	7.0
199.03769	2.0
255.23314	100.0
402.37967	0.6
437.26761	44.3
441.29572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49596	0.5
59.01361	0.6
62.97183	0.4
78.95902	5.8
90.32678	0.5
92.23095	0.9
102.32619	0.4
122.35709	0.5
125.00117	3.2
138.71449	0.5
152.99580	3.8
181.02742	3.8
186.26831	0.5
199.03757	2.1
210.49580	0.5
255.23328	100.0
257.96271	0.5
340.95093	0.5
421.01709	0.5
425.99561	0.7
437.26825	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2702
Annotation	3-Methyl-sargaquinoic acid
Peak:m/z	Relative Intensity
76.29168	0.7
201.09248	1.5
212.08485	1.3
215.10777	0.9
224.08429	1.0
225.09149	1.7
226.10031	1.5
227.10802	3.2
234.12411	0.7
239.10724	1.7
240.11597	1.3
241.12384	2.6
252.59581	0.9
253.12360	1.6
254.13159	13.0
255.13931	4.8
256.14685	3.9
267.14020	5.5
269.15518	6.8
281.15390	3.1
282.16232	3.4
309.18683	4.7
322.19260	1.0
323.20267	5.6
324.21014	19.3
335.20184	1.4
338.22729	1.0
350.22461	3.9
363.23193	1.2
365.24554	0.8
378.25626	29.8
393.28049	100.0
437.27139	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.27
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22304	0.8
65.92377	0.8
78.95930	1.0
81.83087	0.8
84.82822	0.9
116.56853	1.0
133.82010	1.0
135.04543	5.7
148.71017	0.9
152.99614	2.3
159.04520	5.1
160.05241	1.3
172.05299	4.9
173.06079	11.4
173.26675	1.0
179.26688	0.9
186.06868	26.3
187.07559	6.3
199.07651	5.3
200.08426	3.4
201.09230	31.9
202.09995	4.5
213.09190	12.7
215.10760	1.1
230.83479	0.9
241.12270	2.0
254.13055	1.5
255.13921	8.6
256.14679	31.1
269.15378	2.0
271.16956	1.4
282.16318	1.4
283.17056	1.0
284.17728	1.5
292.02490	1.0
309.18558	1.4
312.20844	1.5
323.19888	1.0
324.20963	53.5
393.28033	100.0
437.26965	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55586	2.9
64.43051	3.0
76.01347	3.1
78.95913	6.3
79.12565	3.1
80.25913	4.0
81.03436	4.7
83.04984	4.9
86.04549	3.5
93.03450	100.0
96.98051	3.4
110.23999	3.4
111.04520	56.3
123.91875	3.9
137.02444	43.4
139.90642	3.6
151.07814	3.7
152.99623	16.7
155.03493	86.0
179.01802	4.3
195.97289	4.1
202.13237	3.8
281.24786	5.6
353.75690	4.4
395.60394	4.4
418.65121	3.8
437.26935	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81063	1.5
57.41779	1.2
59.01382	85.5
63.01880	1.4
71.83069	1.5
78.95900	38.8
91.86044	1.5
105.24185	1.6
115.09670	1.6
116.45274	1.6
132.61064	1.7
152.99582	82.1
185.06165	5.7
187.07616	5.5
201.09183	2.9
201.17093	1.6
227.10796	7.5
228.12889	1.9
240.11758	2.0
241.12402	6.2
254.13092	6.2
255.13916	20.5
256.14734	7.9
267.13904	2.8
268.14557	2.0
269.15472	7.4
270.95532	1.8
279.23312	100.0
281.15366	2.3
309.18585	1.8
324.21063	13.0
375.27084	1.8
393.28070	82.2
410.11032	1.7
437.27460	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2913
Annotation	Malonganenone A
Peak:m/z	Relative Intensity
54.43403	2.4
59.01366	3.0
73.02942	5.7
78.95895	5.6
81.03465	10.7
83.05025	22.6
83.90434	2.4
90.30347	2.4
90.38727	2.3
93.03447	100.0
103.67976	2.7
111.04523	58.9
137.02437	76.6
151.07622	5.7
152.99619	21.1
155.03494	64.8
157.05034	3.6
173.04610	3.5
191.76466	2.8
229.42459	2.9
281.24863	50.1
436.16885	3.3
437.29178	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47224	0.8
59.01384	100.0
59.82579	0.9
71.92384	1.0
78.95905	28.2
87.53120	1.1
90.55287	0.9
92.22569	1.1
96.96951	2.5
126.27174	1.0
152.99591	64.9
240.32303	1.0
283.26379	2.1
316.08032	1.1
320.87701	1.1
331.20441	1.2
337.40930	1.1
437.26981	28.0
437.32578	2.5
439.62228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.8
61.95160	0.9
76.77286	0.8
78.95905	40.2
96.96953	2.1
126.89622	1.0
152.99591	100.0
158.74632	0.9
171.00616	1.7
255.10214	1.7
270.12671	1.8
283.26443	4.6
335.19778	2.0
375.23666	1.1
393.24387	11.7
398.96564	1.0
437.27267	41.2
437.33008	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05165	1.0
57.23240	1.1
59.01383	92.7
78.95902	42.0
78.96362	1.5
83.05026	17.0
92.23079	1.5
96.96953	1.2
99.35617	1.2
144.94180	1.1
146.20258	1.1
152.99590	100.0
154.99976	1.6
159.04515	1.5
159.10277	1.2
168.22189	1.1
168.60547	1.3
171.00577	1.6
171.10214	2.0
172.05322	1.6
173.06015	1.5
185.06085	1.3
187.07742	2.0
188.08403	2.5
190.23186	1.3
199.07669	1.4
213.09317	2.3
225.09163	1.2
228.11635	1.6
240.11566	5.3
242.13185	7.3
243.13802	1.2
257.15384	2.0
277.21664	1.5
283.26410	1.7
295.22830	1.9
297.18518	1.5
309.15073	2.6
309.18729	2.5
324.17322	2.8
393.24445	5.8
434.89056	1.4
437.23419	66.5
437.27716	19.4
437.33081	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75990	1.3
54.24254	1.5
59.01384	90.6
61.29322	1.5
64.42423	1.8
64.95201	1.5
72.79014	2.0
78.95901	46.9
96.96989	2.3
97.41396	1.7
125.08370	1.7
149.78905	1.8
152.98343	3.7
152.99583	100.0
171.00641	2.1
171.68210	1.7
212.72588	1.7
283.26477	3.1
366.43481	1.7
399.74994	1.7
437.26962	43.0
437.32666	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.82697	1.3
76.24220	1.1
78.95906	38.6
82.16303	1.0
84.17910	1.0
96.96964	2.6
110.61401	1.6
142.24684	1.2
152.99585	92.1
183.72940	1.4
208.76030	1.1
279.47418	1.3
283.26364	1.8
335.92383	1.4
393.24637	2.1
415.17136	1.3
437.27502	35.6
437.32715	8.5
444.80609	1.4
464.18210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83316	1.9
58.24599	1.9
59.01382	100.0
78.95911	30.0
94.25805	2.0
96.55544	2.3
96.58054	2.1
115.27588	2.2
152.99586	64.1
244.13751	2.2
255.23236	2.6
277.21838	3.4
281.82394	2.4
382.21725	2.4
437.26898	30.1
437.32281	5.0
458.56253	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93609	1.3
56.12439	1.3
56.49172	1.2
60.83865	1.2
61.74568	1.1
62.24689	1.1
78.95899	16.1
79.01897	6.4
81.03468	11.2
83.05013	2.4
96.96891	1.3
97.02936	7.4
116.05050	3.6
143.70047	1.4
151.56592	1.5
152.99588	39.5
165.80838	1.5
242.60620	1.4
265.25403	6.4
267.26962	79.4
321.31628	14.0
349.31064	13.0
393.30157	100.0
393.35266	3.5
405.24509	2.7
437.26297	13.1
437.32184	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07484	0.7
65.03955	1.1
67.97430	0.7
73.45528	0.7
77.75697	0.7
78.95884	1.1
81.03478	5.7
83.05014	16.1
93.03447	93.5
96.02161	3.3
108.77911	0.9
111.03767	1.6
111.04510	40.1
115.57471	0.8
121.45722	0.7
127.63815	0.8
137.02443	98.1
146.27867	0.9
152.99496	1.0
155.03499	100.0
281.24875	34.0
363.19275	0.9
437.29221	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3063
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.24820	1.8
76.28596	2.0
78.95882	16.2
96.96983	2.2
99.08153	64.9
106.48344	2.3
115.55552	2.1
145.34543	2.5
152.99576	39.7
163.09978	2.6
163.11285	56.2
169.04845	2.3
172.94901	2.3
197.02904	2.2
231.39783	2.3
235.47403	2.4
250.16208	2.4
260.55725	2.4
261.18561	12.2
292.77982	2.6
337.21744	41.6
357.52679	2.1
393.27982	8.4
437.31036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09704	0.4
54.88037	0.4
62.55877	0.5
76.37089	0.5
94.07898	0.5
152.99612	2.4
210.51535	0.6
279.23328	100.0
437.27005	0.9
437.32700	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99428	1.7
57.53055	1.5
58.02973	2.1
59.01381	2.9
72.00902	2.2
74.02467	15.9
77.58348	1.7
82.02988	3.6
82.66124	1.7
86.02469	8.3
87.05638	4.0
87.42361	1.9
97.04087	16.9
99.05655	18.5
100.00423	7.3
102.00198	3.2
103.02222	14.3
105.99677	17.6
125.07162	2.2
127.68295	1.9
128.03539	100.0
131.02832	2.9
135.05615	7.2
141.03059	7.6
143.04619	69.6
146.04581	4.7
151.05113	1.9
152.70866	1.8
153.06700	12.3
160.00735	9.0
165.02238	2.4
169.06190	8.4
172.53696	2.2
173.04584	2.5
175.01826	27.8
176.30856	2.1
178.05017	2.1
179.04645	19.1
197.05692	7.6
203.04958	2.1
210.08862	7.7
226.08253	2.8
254.07802	14.4
272.08911	66.2
286.05127	2.7
304.06119	99.5
322.07199	8.0
421.95627	2.3
438.11911	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49094	2.4
59.53357	2.5
65.04246	2.4
71.64982	2.8
74.02466	11.4
78.65009	2.7
79.85292	2.6
82.03012	3.7
86.02491	3.7
89.02452	3.7
97.04082	15.5
99.05627	12.8
99.80420	2.8
100.00407	6.5
102.00163	4.2
103.02246	10.8
105.99679	13.9
107.87069	3.0
127.35188	3.4
128.03537	100.0
135.05638	3.2
143.04625	53.1
146.04584	5.6
153.06691	15.7
160.00703	3.3
169.06168	4.1
175.01842	17.4
178.05096	6.0
179.04614	19.9
197.05687	4.1
210.08823	4.8
219.62154	3.0
225.13756	3.3
242.61700	3.0
254.07933	4.2
272.08951	55.3
288.82394	3.4
304.06125	69.9
322.07062	4.9
438.11957	56.7
438.20505	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02944	2.7
66.69280	1.8
74.02469	14.2
78.88987	1.8
82.02962	2.6
85.77751	2.0
86.02463	4.6
87.05590	2.5
97.04063	19.4
99.05636	14.2
100.00391	3.9
102.00200	4.3
102.92740	2.3
103.02232	12.1
105.99717	17.7
111.47919	2.0
114.00193	2.8
122.20477	2.2
128.03531	100.0
131.02835	2.6
135.05725	3.8
141.03017	3.6
143.04616	62.5
145.06190	2.5
146.04572	4.9
153.06685	14.3
160.00729	9.2
165.38390	2.2
175.01854	20.1
178.05093	34.0
179.04578	17.5
182.09314	3.4
197.05659	3.2
199.75154	2.6
210.08794	7.9
226.08452	2.6
242.82698	2.3
254.07864	8.1
272.08893	59.2
304.06100	90.1
322.07196	4.8
358.73456	2.1
398.90952	2.4
438.11862	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69128	0.2
71.01369	0.3
74.14474	0.2
81.20686	0.2
85.02939	3.1
86.27018	0.2
87.00856	0.6
93.03461	0.5
102.44411	0.2
106.59116	0.2
111.04496	0.3
118.31246	0.2
127.04016	0.6
127.31701	0.2
163.00992	0.3
164.02188	0.3
170.10626	0.3
173.04680	0.3
189.65082	0.3
191.05634	100.0
200.47972	0.3
261.71094	0.3
279.32825	0.3
288.21130	0.3
446.24072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54413	0.5
54.89639	0.5
59.01379	2.6
61.98835	100.0
69.72219	0.4
70.48990	0.6
71.01358	0.7
74.39825	0.6
83.65792	0.5
89.02448	0.8
101.02438	3.5
106.33812	0.6
113.02419	0.8
118.01469	0.8
178.05098	2.9
179.18689	0.6
294.03497	0.7
463.37997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.67428	0.5
66.49231	0.5
68.48989	0.5
78.95908	0.7
87.00853	0.8
89.02422	0.5
93.77052	0.6
99.61673	0.6
115.92072	0.8
122.81054	0.7
152.99582	1.0
166.38687	0.6
172.63489	0.5
227.20152	2.5
336.35449	0.6
342.50317	0.6
379.38840	0.7
405.20752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76798	0.6
61.98831	100.0
62.85722	0.5
72.16683	0.5
77.37999	0.6
78.95898	1.4
87.00857	0.6
89.79829	0.6
95.74817	0.6
126.56673	0.6
219.67221	0.7
227.20126	6.0
366.20834	0.7
378.21735	0.8
438.26413	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56144	0.5
53.62993	0.5
72.40308	0.6
78.95908	8.6
79.21594	0.5
87.72269	0.5
91.01328	0.6
103.16254	0.5
140.01205	4.9
152.99590	0.7
196.03825	7.8
214.04865	0.8
238.17830	0.6
241.21753	100.0
294.80997	0.6
377.96545	0.7
382.76358	0.6
386.15762	0.7
438.26297	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00996	0.4
78.95904	8.8
132.86186	0.4
140.01202	4.9
152.99596	0.8
169.84508	0.4
196.03807	8.8
204.95103	0.5
214.04907	0.9
241.21741	100.0
305.81177	0.5
438.26303	42.2
451.03345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93574	0.3
61.98851	0.4
66.33116	0.3
75.51644	0.3
78.95905	2.4
81.79391	0.4
100.37253	0.4
140.01183	1.5
152.99577	0.7
156.35307	0.4
196.03763	0.4
214.04945	1.8
241.21742	100.0
281.92020	0.4
438.26309	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51416	0.9
70.02950	1.3
73.02962	2.1
74.02479	4.7
75.00868	14.0
100.04050	7.4
104.03535	2.0
105.01945	11.2
116.03499	2.0
118.05116	23.7
130.05093	21.7
148.06157	4.6
160.06128	1.1
164.92200	1.1
223.20709	1.1
241.21727	7.3
253.21712	2.1
265.21768	6.1
338.05768	1.1
353.20023	1.7
372.27576	7.0
402.28662	100.0
438.26239	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85080	2.2
61.55265	2.5
63.57024	2.3
71.52464	2.4
75.00864	15.7
81.66178	2.3
81.81558	2.5
96.17498	2.6
97.81323	2.8
100.04018	5.7
105.01929	17.0
118.05094	21.8
130.05063	23.4
148.06190	3.6
180.83142	2.5
187.42859	2.5
253.21893	3.1
265.21802	6.0
316.52145	2.9
327.69885	2.8
355.29330	2.7
372.27545	4.9
402.28656	100.0
438.26114	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83426	0.5
55.64069	0.6
59.01369	0.6
64.80556	0.6
64.80932	0.6
78.95903	11.3
125.00062	6.6
152.99588	4.5
153.99945	2.9
176.74411	0.8
181.02681	7.6
182.03069	2.7
199.03842	1.3
235.27646	0.7
255.23325	30.0
256.23651	100.0
298.63260	0.8
330.96228	0.7
417.01419	0.9
438.27118	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19118	0.8
53.12432	0.8
59.69462	0.9
59.99854	1.0
64.40400	1.1
86.60629	1.0
107.13822	1.1
121.17963	1.0
125.88597	1.3
148.49944	1.0
173.06032	1.9
184.51405	1.0
185.06111	1.5
187.07613	1.9
191.20775	1.0
199.07768	1.1
201.09171	1.3
213.09181	1.7
215.10825	1.8
217.12332	2.2
227.10777	7.8
228.11557	19.4
240.11571	1.9
241.12299	8.8
242.13023	1.3
254.13159	2.1
255.13864	5.2
256.14743	20.9
269.15494	1.5
270.16272	25.6
271.17056	12.2
282.16296	2.5
283.16989	7.5
310.19360	1.2
324.20941	2.1
325.21619	5.9
339.23312	15.1
351.23230	9.0
379.26120	2.4
394.28751	100.0
438.27753	38.0
438.33371	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.6
59.69543	1.2
60.74098	1.1
71.01368	1.6
78.95908	2.2
86.15848	1.1
102.01011	1.2
108.08206	13.7
112.04031	4.4
114.05605	9.3
124.07732	1.3
126.09328	1.2
137.55756	1.1
139.60031	1.3
140.07178	61.4
142.18723	1.1
152.07210	9.8
152.99554	1.1
167.35550	1.4
170.08226	45.9
181.02773	1.4
218.68254	1.2
255.23396	7.1
256.23676	25.3
268.55969	1.3
394.29703	8.0
397.68704	1.2
429.89667	1.2
438.28625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0656
Annotation	(-)-Amurensisin
Peak:m/z	Relative Intensity
55.11076	0.6
62.17017	0.5
72.99319	1.5
78.95907	100.0
81.11881	0.6
90.15776	0.6
96.96960	22.0
108.69085	0.7
120.96928	0.9
123.34362	0.7
135.04512	1.4
138.63696	0.8
138.98055	2.5
150.98082	1.0
179.03525	2.8
197.04716	1.2
212.52264	0.6
241.01208	25.6
273.40433	0.7
303.94260	0.7
439.06512	66.1
457.67163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59313	0.3
55.73295	0.3
77.33588	0.3
78.29279	0.3
78.95903	7.7
79.95705	1.3
96.96008	100.0
96.96935	24.9
100.43638	0.3
121.49885	0.3
129.17606	0.3
130.26372	0.4
148.45305	0.3
202.22227	0.3
270.75961	0.3
298.59427	0.3
310.46881	0.4
327.03006	0.3
327.08286	0.4
439.08310	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25902	0.4
53.52188	0.4
55.30383	0.4
58.28189	0.4
61.98835	100.0
71.45937	0.4
88.99850	0.5
103.43042	0.5
113.02449	4.2
142.01817	0.5
360.11774	0.6
439.13040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82928	0.4
52.82928	0.4
55.19071	0.5
62.96438	0.5
78.95907	27.6
94.49133	0.4
96.78530	0.4
96.96957	100.0
123.58969	0.5
215.34512	0.4
370.41275	0.5
439.08682	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94564	0.4
62.23804	0.4
64.77452	0.4
78.73005	0.5
78.95905	28.8
82.90724	0.5
94.58733	0.4
96.96957	100.0
100.24891	0.4
107.47619	0.5
121.13836	0.5
124.35921	0.5
186.43930	0.5
235.56822	0.5
268.48572	0.5
439.08646	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53999	3.6
52.56287	4.6
55.48550	3.7
59.01382	100.0
71.01367	20.2
73.02939	4.8
89.02438	9.9
96.96960	7.7
101.02442	11.0
103.00385	41.7
113.02454	9.9
133.05087	37.5
134.25061	4.3
161.04526	7.9
175.06209	8.2
207.05998	4.9
221.92766	5.5
281.12411	44.2
401.81073	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11252	3.3
53.15633	3.0
59.01380	100.0
70.30698	3.1
71.01385	22.1
72.28490	3.3
73.02943	3.3
78.95914	3.8
83.01392	3.6
85.02961	17.2
89.02438	22.5
96.96009	38.1
101.02460	30.0
103.00378	24.3
103.04044	3.4
113.02454	16.7
119.03500	8.8
133.05064	44.5
135.04526	43.6
140.74995	3.7
161.04431	4.2
175.06142	5.1
179.03505	33.1
217.13564	3.4
233.08209	33.2
277.07086	4.3
281.12469	67.0
341.09030	4.4
388.30539	4.8
439.12485	26.7
457.07907	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98837	0.7
69.87214	0.6
72.90759	0.6
81.88815	0.7
84.33532	0.6
96.95993	1.1
117.03456	13.9
119.05045	0.8
136.40892	0.7
146.13422	0.7
191.08696	1.1
203.08699	3.1
232.08890	5.8
247.07596	2.8
249.15028	0.8
260.08359	2.9
286.06229	6.0
291.11710	2.9
293.13406	2.7
319.11298	53.2
321.12872	11.8
322.19257	0.8
323.14447	0.8
335.10843	5.4
336.11584	6.8
337.12369	1.3
351.14136	5.1
362.09515	2.4
363.10294	38.0
363.14880	1.4
395.12918	100.0
439.11853	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19255	0.3
54.67778	0.3
59.01385	0.8
60.25013	0.3
66.96274	0.3
68.34127	0.4
85.02998	0.4
89.02431	0.4
97.02961	0.5
101.02473	0.5
115.04012	2.0
122.06014	0.4
134.03685	0.6
135.04524	100.0
161.02374	1.3
175.04050	0.5
178.02808	0.4
179.03506	38.2
260.66263	0.4
288.65421	0.4
297.10043	0.5
341.08734	3.5
361.31244	0.5
421.52585	0.4
437.67529	0.4
439.12326	10.7
439.22025	1.3
439.29584	0.5
460.50497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02010	0.7
58.28991	0.7
59.01380	6.3
59.61421	0.8
61.98835	10.9
71.01384	4.4
73.02947	1.3
74.74869	0.8
83.81107	0.7
85.02935	12.7
85.03361	0.9
89.02448	33.8
99.94875	0.8
101.02440	5.6
113.02441	5.1
113.03577	4.0
114.01933	1.9
119.03490	1.7
131.04639	11.4
133.05107	1.1
135.04530	100.0
147.04514	8.5
148.05257	0.9
150.03253	5.8
161.02455	1.4
161.04601	1.1
163.37350	0.8
165.05550	9.3
173.01591	0.8
177.05562	1.0
179.03508	19.0
180.04282	3.5
191.05568	1.2
195.06657	12.0
200.15454	0.8
203.06807	1.4
205.05089	3.4
217.70735	0.9
221.04620	1.9
231.42825	0.8
233.08209	38.0
251.05675	1.0
263.11340	15.2
277.07053	1.0
281.06741	2.0
297.09766	15.4
319.08316	1.0
341.08798	4.5
356.66806	0.9
391.13971	1.7
395.13501	9.4
439.12292	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
63.42209	0.4
71.01382	1.8
78.88000	0.4
89.02437	2.1
101.02435	1.6
111.25350	0.4
113.02445	1.0
118.13174	0.4
133.02962	1.9
133.61070	0.5
134.03748	1.8
135.04532	85.4
143.03453	0.5
161.02449	24.1
177.05522	4.1
179.03514	100.0
189.05678	0.4
193.05217	0.6
221.04611	3.9
236.71896	0.4
251.05583	1.7
281.06717	3.8
299.64975	0.4
341.08774	7.9
351.07767	0.5
439.06281	0.9
439.12500	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88487	0.4
59.01383	14.0
59.06224	0.5
71.01378	7.4
72.99290	3.7
73.02946	1.3
75.00867	81.1
75.77741	0.7
79.57068	0.6
80.80660	0.5
81.03458	1.0
85.02946	4.5
87.00365	0.6
87.00854	5.6
87.04511	0.8
89.02431	6.1
92.22530	1.3
96.96030	1.0
97.02927	2.5
99.00870	0.6
99.04509	2.6
101.02450	6.2
111.00871	1.2
113.02444	2.3
115.04006	11.9
119.03500	1.2
125.02450	2.3
129.41251	0.7
130.68442	0.6
143.03499	1.5
145.05057	1.2
147.27068	0.6
161.04533	5.5
175.06116	0.8
206.19693	0.7
289.58499	0.7
323.09958	1.4
337.84570	0.6
341.10928	4.8
355.77188	0.7
439.14597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	63.6
65.83692	2.4
66.84024	2.0
69.37434	2.6
71.01379	63.1
73.02974	3.8
75.00854	10.0
78.95916	18.3
83.01382	2.3
85.02959	15.6
87.00864	5.8
89.02442	87.8
89.02959	4.4
90.37315	2.3
95.01384	2.6
96.96004	13.9
96.96957	58.6
97.02936	10.5
101.02443	48.5
111.00877	2.3
113.02444	33.3
115.04002	12.8
119.03487	18.8
130.08730	2.8
131.03484	5.9
143.03513	3.1
156.60031	2.5
161.04573	11.4
173.04517	2.9
179.05608	14.3
191.05641	5.2
215.66618	2.9
221.06677	13.4
254.58945	2.9
259.08255	11.0
277.09329	80.7
439.09314	7.3
439.14636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93224	1.4
58.79827	1.2
59.01379	7.7
60.17544	1.4
61.83237	1.4
62.44477	1.3
63.17461	1.2
66.03860	1.3
71.01377	3.2
82.89965	1.4
85.03007	1.6
89.02454	15.5
95.36349	1.5
96.95941	2.2
101.02444	6.2
113.02466	6.1
120.20667	1.4
122.03748	2.2
149.02492	2.0
150.03220	65.4
154.18481	1.4
158.47466	1.4
164.04785	3.4
165.01909	9.1
165.05565	98.1
180.04292	37.9
190.92227	1.5
191.05589	2.5
195.06641	100.0
195.16454	1.7
204.04277	1.9
243.08722	14.9
263.11499	10.5
379.15961	2.1
391.14182	2.4
439.16452	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
59.48111	0.9
71.01373	2.4
83.16516	1.0
85.02959	1.4
89.02408	7.0
89.90340	0.9
99.00889	3.6
113.02394	1.3
119.03518	1.0
143.04607	1.0
148.55402	1.1
149.02440	5.1
150.03214	52.4
164.00346	1.0
164.04825	1.8
165.01889	9.5
165.05569	96.0
180.04294	33.1
195.06648	100.0
225.07753	1.1
243.08772	4.9
273.09055	1.4
305.06516	1.3
378.93661	1.1
379.16034	9.4
391.14157	2.2
403.68060	1.0
439.16299	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63646	0.9
59.01377	7.3
60.68570	0.8
69.93249	0.8
71.01381	4.7
78.95918	0.9
85.02930	1.2
89.02430	3.8
92.23150	1.4
93.09676	0.9
101.02438	4.7
107.47643	1.0
113.02431	4.7
125.16908	0.9
131.07141	4.3
132.02182	2.1
134.03737	15.8
135.04494	1.0
137.82233	0.9
149.05972	1.0
160.01660	67.3
161.02466	1.1
169.29852	0.9
175.04004	100.0
179.03500	1.9
193.05089	12.3
281.97318	0.9
340.76376	1.0
439.16162	95.0
439.21432	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.4
61.15250	1.5
71.01402	2.6
71.88164	1.4
75.46110	1.4
78.33222	1.4
83.24215	1.6
89.02446	27.1
96.95976	3.9
96.96954	6.5
101.02444	6.3
101.58147	1.7
106.18913	1.6
113.02488	2.1
119.68568	1.5
126.57704	1.9
149.02444	7.8
150.03217	50.5
161.04610	1.9
164.04781	9.0
165.01929	11.5
165.05573	86.6
165.06985	3.3
179.03441	2.6
180.04314	41.4
195.06650	100.0
196.30109	1.9
202.95137	10.5
243.08714	3.9
244.96066	7.5
263.11359	15.1
287.28702	1.8
291.13342	1.7
301.07233	3.7
304.98480	3.1
316.09805	2.0
331.11667	7.6
391.14178	13.6
439.16101	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69405	0.6
53.99024	0.6
59.01383	6.5
71.01367	4.1
72.74464	0.7
73.02937	1.1
78.22072	0.7
85.02944	1.7
85.81012	0.8
89.02432	1.9
101.02418	3.5
110.33519	0.8
113.02419	1.5
132.02144	1.3
133.02948	1.2
134.03722	13.3
137.02412	1.3
149.06058	1.6
160.01656	49.6
175.04002	100.0
179.03546	1.0
193.05080	11.7
255.05922	0.9
269.01224	0.8
293.48746	0.9
439.16089	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04679	0.5
59.01386	5.2
61.01476	0.5
71.01363	5.0
83.01409	1.0
83.34306	0.5
84.23773	0.6
85.02943	1.4
89.02453	1.6
92.22565	0.9
96.96018	1.3
101.02441	3.7
113.02427	1.2
122.32473	0.9
132.02161	1.6
133.02934	1.4
134.03729	19.4
149.06088	3.4
160.01662	61.4
175.04005	100.0
177.01991	0.8
178.02782	1.1
179.03554	0.8
193.05075	14.5
216.14622	0.8
292.84256	0.8
378.70609	0.7
439.16159	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.2
59.01383	21.3
59.21637	0.8
71.01381	10.6
73.02946	1.1
82.72411	0.7
85.02953	3.7
89.02428	8.5
94.06933	0.8
95.01382	1.2
101.02467	9.0
113.02402	5.8
119.03459	1.4
119.04956	1.6
132.02130	1.4
133.02969	5.7
134.03723	15.3
136.01634	5.1
137.02400	1.4
147.04573	3.0
148.05286	3.4
149.06061	3.4
150.81671	0.8
151.03998	0.8
153.05565	3.4
160.01662	41.8
160.34543	0.8
175.04001	97.6
177.01906	1.6
192.04309	1.1
193.05066	13.4
220.62714	0.9
259.09714	1.0
320.97885	0.9
370.16132	0.9
439.16125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1615
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
59.01377	5.7
65.50259	0.7
71.01380	4.1
73.02962	0.9
78.95912	3.4
85.02940	2.9
89.02439	2.5
92.23174	1.3
101.02424	3.4
113.02416	1.5
118.03426	0.6
119.03512	0.9
132.02173	3.3
133.02965	3.2
134.03746	13.2
149.06102	1.0
160.01657	57.0
175.04002	100.0
177.01807	0.9
178.16302	0.8
179.03447	0.7
185.64340	0.7
193.05045	8.9
235.06145	1.3
399.16602	0.7
439.16159	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64302	0.5
56.18776	0.4
56.94685	0.6
59.01372	1.3
64.97995	0.6
68.76074	0.5
69.06557	0.5
71.01050	0.5
71.01382	5.4
71.75963	0.5
73.02944	1.2
77.14423	0.5
85.02935	3.2
101.02443	4.2
101.06077	1.1
113.02418	1.5
132.02180	1.3
133.02884	1.1
134.03745	15.3
135.04402	0.6
137.02435	0.7
149.06062	1.1
160.01649	59.1
175.04001	100.0
178.02762	1.1
179.03500	1.5
180.62134	0.6
181.53397	0.6
193.05045	11.2
288.93048	0.7
439.16138	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24670	0.6
59.27752	0.6
79.95740	2.7
94.38908	0.7
95.11357	0.8
96.96003	7.4
97.06561	0.7
125.09711	23.9
131.04564	1.5
134.11516	0.6
169.08713	0.8
171.08862	1.4
171.10268	31.2
171.11746	1.1
175.03986	1.1
187.09756	100.0
196.97345	0.6
251.05954	39.1
267.05521	6.6
298.21622	0.8
439.15674	2.0
450.28909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98096	0.5
58.64853	0.5
71.05607	0.5
71.08443	0.5
79.95757	3.4
81.16174	0.6
84.53756	0.5
96.96004	8.5
97.06549	0.7
97.86676	0.5
99.03344	0.6
125.09711	23.6
152.99585	0.7
169.08736	0.7
171.10272	35.7
187.09760	100.0
237.90099	0.6
239.02541	0.6
251.05971	38.0
267.05414	5.8
286.30072	0.7
328.99426	7.4
344.01797	6.0
359.04248	5.6
378.17618	0.7
439.15833	1.1
439.21725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75795	0.8
55.59505	0.7
58.58421	0.7
59.01382	24.2
66.18176	0.9
71.01379	33.9
73.02939	9.9
83.01371	1.2
85.02947	14.0
89.02429	17.2
90.76053	1.1
95.01363	1.5
99.00890	5.1
101.02438	32.2
113.02441	22.5
119.03501	5.4
119.82802	1.0
125.02454	1.6
131.03488	1.0
131.11612	0.9
143.03532	1.4
159.02994	4.5
161.04559	30.0
167.68956	0.9
247.11874	31.8
279.82065	1.0
379.16141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09830	1.1
54.45891	1.1
59.01380	34.6
65.00163	1.1
71.01379	28.7
73.02946	7.7
83.01410	1.8
85.02945	8.6
89.02443	31.2
101.02438	26.7
113.02435	15.4
119.03505	12.9
119.04209	1.4
119.07117	1.7
161.04549	9.3
179.05598	2.7
186.39066	1.4
277.01044	1.3
281.12433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95482	0.9
58.15432	0.9
59.01383	17.0
71.01381	15.1
73.02936	3.8
83.01402	1.1
83.85990	0.8
85.02952	8.2
89.02442	100.0
100.34216	0.9
101.02444	15.2
113.02454	10.2
119.03501	4.9
133.05063	7.0
135.04539	30.1
136.40308	1.1
147.04546	1.7
148.97931	0.9
150.03229	5.8
159.02974	1.1
161.04576	6.9
165.05560	9.1
179.03502	7.0
180.04323	3.5
195.06642	10.7
209.29890	0.9
233.08191	13.9
263.11377	48.3
269.71960	1.0
297.09879	2.3
316.09415	1.3
335.13535	8.4
341.08765	1.2
360.76120	1.0
391.14090	2.1
395.13403	1.7
435.24350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71626	0.9
59.01104	2.2
59.01384	48.5
59.91838	0.9
71.01379	34.9
73.02931	6.0
80.05881	1.2
83.01382	1.2
85.02959	2.7
89.02440	85.0
94.81497	1.1
95.65220	1.2
96.96976	1.1
99.00861	1.2
101.02439	26.6
113.02451	14.3
119.03506	15.5
124.65964	1.3
131.03511	11.1
135.04495	6.2
143.03566	2.1
149.04529	14.1
161.04626	1.9
167.11386	1.2
179.05627	5.6
185.24344	1.1
191.05655	5.8
247.11833	9.7
311.84485	1.2
379.16144	100.0
464.98010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50511	1.0
56.98827	1.0
59.01385	13.6
63.47145	1.1
71.01374	17.1
73.02946	8.2
78.95915	5.2
83.01370	2.6
85.02945	7.1
89.02435	100.0
91.15217	1.1
95.67490	1.3
96.96027	2.0
96.96965	7.2
99.00911	1.6
101.02442	18.5
101.05425	1.0
101.06042	8.3
106.67475	1.2
113.02412	7.7
132.75586	1.1
133.05063	10.2
135.04504	2.2
144.27075	1.2
158.95869	1.1
161.04556	9.1
179.03471	9.7
263.11380	40.3
281.12250	1.3
335.13510	5.7
341.08755	5.1
451.47690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
59.01380	51.9
69.86205	0.9
71.01382	26.5
73.02934	7.0
77.97507	0.9
79.82587	1.0
83.01375	3.6
85.02932	9.5
89.02432	18.8
99.00861	3.9
101.02430	28.9
113.01733	1.8
113.02442	18.9
119.03516	8.7
119.07132	3.7
124.86945	0.9
130.87039	0.9
159.03029	1.5
161.04555	13.3
164.56285	0.9
179.05734	1.0
190.81683	0.9
256.29053	1.1
281.12424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40562	1.1
59.01101	1.9
59.01385	40.3
71.01376	24.9
73.02937	15.2
74.99079	1.8
83.01407	2.0
85.02953	13.4
85.49130	1.0
87.00861	1.6
89.02441	28.3
94.03071	1.3
95.01373	2.5
99.04523	1.6
101.02444	36.0
113.02437	18.6
119.03497	8.9
119.07123	5.0
135.04547	10.1
136.99123	2.4
159.02992	2.6
161.04590	13.6
163.03937	1.5
174.77223	1.5
179.03477	2.2
179.05673	1.5
233.08249	2.9
263.11368	2.8
269.51584	1.2
281.12442	100.0
359.00833	1.8
379.19370	2.2
439.12646	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32622	0.4
61.98828	100.0
75.12717	0.4
80.45084	0.5
83.11987	0.4
90.27317	0.5
119.06616	0.4
170.83337	0.6
187.45314	0.5
230.74898	0.5
232.88060	0.5
398.02512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.93480	0.5
58.90530	0.5
59.01105	1.0
59.01385	20.3
71.01377	28.0
73.02939	10.3
75.00879	0.7
75.26510	0.5
78.41238	0.6
83.01374	4.6
85.02950	11.5
87.00887	1.0
89.02435	14.4
95.01386	2.3
96.60412	0.6
99.00889	6.3
101.02439	29.1
113.02443	17.2
119.03471	2.6
125.02418	0.6
129.01859	0.9
131.07104	0.8
137.16336	0.6
139.77763	0.6
143.03506	0.8
145.12384	0.9
151.35925	0.6
159.02968	3.8
161.04568	9.8
179.03606	0.8
307.17682	11.7
396.38940	0.6
439.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
59.01145	1.0
59.01388	18.6
60.14951	0.7
60.49097	0.8
70.87217	0.9
71.01377	20.7
73.02942	14.5
74.93163	1.1
83.01387	3.8
85.02956	10.7
87.00863	0.9
89.02429	10.1
93.66300	0.8
94.72245	0.8
99.00869	5.5
101.02446	31.0
102.91961	0.8
108.98916	0.8
111.00826	1.1
113.02438	15.2
118.77017	1.1
119.03492	1.7
125.02408	1.3
131.07100	2.0
135.04523	19.0
145.12207	1.1
151.77922	1.0
161.02446	2.1
161.04590	7.7
164.07156	1.7
179.03503	27.6
206.66754	0.9
277.15549	4.7
291.85977	1.0
307.17688	14.7
349.17676	5.5
379.18857	1.1
439.21884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.78357	1.5
71.21014	1.9
72.28326	1.8
75.87625	1.8
85.02961	3.3
93.82492	1.9
97.06576	2.4
101.17172	1.9
125.09679	4.6
129.01987	2.2
129.05545	2.9
133.19948	1.7
135.08147	18.4
143.70076	2.0
147.97920	2.2
171.10306	9.7
191.05687	2.3
249.14948	12.3
275.20200	20.2
287.16519	2.3
293.21414	8.3
305.17599	37.7
325.60306	2.5
379.21341	24.9
416.94208	2.6
430.96478	2.3
439.22946	2.7
439.27301	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2472
Annotation	25R-Spirostan-4-ene-3,6,12-trione
Peak:m/z	Relative Intensity
57.08468	8.9
70.54296	9.0
84.77709	9.0
86.12048	8.8
110.33206	9.1
133.72806	10.9
209.66908	11.0
418.24786	11.2
439.24762	100.0
449.82922	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2494
Annotation	Scopadulin
Peak:m/z	Relative Intensity
50.84738	1.2
59.01371	2.8
72.98532	1.6
86.30338	1.3
91.92214	1.5
92.49316	1.3
115.92039	1.5
149.02448	2.3
176.34608	1.6
253.12408	7.8
258.08905	2.8
271.13403	39.6
283.13458	7.2
325.18027	2.4
337.21576	3.4
377.24911	9.7
381.20825	3.6
395.25974	24.0
439.24973	100.0
439.31232	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42406	3.6
58.65450	4.0
59.01372	21.8
60.68881	3.8
61.98839	7.5
63.39348	4.0
67.93751	4.1
71.01394	9.9
72.72089	4.2
73.02960	8.8
95.94413	4.1
101.02455	5.5
107.29119	4.6
113.02505	6.0
137.37701	4.2
251.87683	4.6
270.00595	4.6
277.21732	100.0
290.84225	4.9
291.23389	19.4
303.74323	5.3
319.22803	10.5
331.22736	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60958	1.5
53.94432	1.4
54.04824	1.3
58.21722	1.6
59.01158	1.3
59.01387	18.7
61.98830	8.1
69.84554	1.4
70.73607	1.8
71.01380	21.9
73.02939	7.6
75.00874	6.4
85.02940	7.4
89.02430	2.2
95.01376	2.5
98.88275	2.1
99.20183	1.9
101.02422	3.2
113.02429	12.5
133.88591	1.8
134.87822	1.9
150.11134	1.6
161.04530	2.9
273.22440	2.6
277.21747	100.0
291.23300	27.3
293.89978	1.7
301.22040	2.0
319.22763	19.4
331.22772	8.4
346.87872	1.7
349.24039	4.2
421.10068	12.4
439.11136	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26380	1.0
59.01381	15.1
59.13007	1.1
65.74132	1.1
75.00862	13.1
86.75069	1.2
87.00868	21.8
92.55032	1.2
111.08141	2.6
113.02436	1.3
165.12851	20.8
183.13899	100.0
197.11971	1.3
199.13474	1.3
209.11877	1.5
211.13373	11.9
227.12888	53.2
239.24152	1.3
265.18170	1.3
294.94296	1.4
309.20923	1.4
315.27026	15.0
319.22882	2.7
333.27969	2.1
341.24911	3.0
359.25986	15.3
377.27020	11.0
379.29355	1.7
381.22867	9.1
395.28055	2.8
439.27423	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	4.9
59.01383	100.0
70.20035	0.9
79.82432	0.9
87.95557	1.0
126.38551	1.2
133.54367	1.1
135.37755	1.0
189.99045	1.0
317.26071	1.2
335.26871	1.8
379.26068	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2856
Annotation	CHEBI:69411
Peak:m/z	Relative Intensity
52.19162	1.0
53.69056	1.0
59.01374	7.9
62.74496	1.1
65.79337	1.3
78.33269	1.4
109.06602	18.3
109.63380	1.4
121.99737	1.4
159.04512	2.3
160.05293	20.8
172.05309	3.0
173.06108	5.7
175.07623	1.6
186.06883	3.4
187.09810	2.2
188.08420	24.8
189.09204	2.1
200.08598	1.7
202.10031	13.5
203.10799	38.4
203.12651	2.2
214.09972	2.8
215.10806	9.7
242.13194	1.9
256.14557	1.7
257.15475	21.0
258.16278	2.2
271.17026	8.5
273.22208	6.1
279.23404	6.9
283.17145	5.1
292.29572	1.3
297.24512	2.9
303.23254	1.7
315.25320	6.7
326.22546	83.9
370.21506	100.0
380.27295	2.1
395.29553	12.9
421.27515	17.5
424.26096	1.8
439.28687	65.4
439.33737	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81428	0.8
55.74187	0.7
59.01382	57.3
88.04029	13.1
101.69653	0.9
107.39859	1.0
109.27962	0.9
130.08740	4.5
151.93292	0.7
157.13451	16.6
184.01619	1.0
201.12456	3.2
206.61465	0.9
222.28983	0.8
281.24881	100.0
344.37393	1.0
378.54620	0.9
402.00284	0.8
438.29510	1.1
439.29691	1.4
439.35449	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96436	0.9
81.03455	100.0
83.22459	1.2
99.04501	1.3
105.41228	1.0
125.02438	24.4
145.50301	1.1
174.93977	1.0
179.79295	1.0
188.08430	1.1
203.10814	2.6
205.98502	1.1
219.74962	1.0
253.72978	1.1
267.26920	17.1
278.23074	1.2
326.22443	2.2
370.21533	6.6
395.27136	1.7
395.31769	35.3
439.30704	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.23758	0.6
69.28616	0.7
118.44873	0.6
182.99966	0.6
283.37231	0.7
382.82080	0.7
412.24127	0.9
439.24475	5.1
439.35330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.37313	0.8
76.72878	0.8
78.95908	1.4
93.04504	1.0
115.92091	1.1
119.48501	1.0
133.09763	0.9
133.76421	0.9
135.34000	1.0
143.35944	1.0
152.99547	2.0
231.16344	1.0
279.23511	2.0
298.25775	1.0
371.22217	1.1
395.28546	4.0
439.24286	8.3
439.30466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68527	1.0
59.01381	100.0
127.30756	1.3
212.16626	1.8
333.28995	5.3
361.28772	1.5
369.61365	1.3
379.29706	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.3
59.01384	100.0
60.96010	0.8
64.67757	0.8
69.22357	0.8
71.54351	0.8
90.58382	0.8
105.01918	4.2
115.86011	0.9
137.09599	1.0
144.87404	0.9
151.55328	0.9
179.10881	1.0
181.64105	0.8
254.21349	1.1
295.19186	1.2
317.17282	1.8
333.29086	2.1
361.28604	1.4
379.29691	33.3
401.11847	1.1
403.11734	1.1
430.76672	0.9
439.22275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02144	1.5
59.01381	100.0
63.83868	1.5
73.00349	1.3
74.16899	1.6
93.59700	1.5
96.96012	6.3
113.39112	1.5
117.86050	1.4
138.47028	1.6
185.97255	1.7
198.15097	2.9
274.36694	1.5
333.28995	7.0
361.28915	2.2
379.29733	38.1
391.78156	1.8
400.30200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95966	1.1
58.23295	1.1
66.00406	1.1
81.99603	1.4
88.40060	1.3
124.08349	1.3
175.07190	1.1
175.68396	1.1
281.24869	100.0
439.34207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73413	0.5
57.98977	0.4
59.49139	0.6
70.82312	0.5
73.02951	1.1
74.15504	0.5
78.95902	6.8
93.03425	0.8
95.15607	0.6
96.96956	23.3
101.02434	10.0
119.05014	0.8
136.86092	0.5
138.09227	0.7
160.07652	0.9
163.04044	4.0
171.06760	0.7
180.06671	100.0
222.07675	2.9
226.74236	0.6
252.08766	18.8
260.11398	1.0
264.08890	0.6
294.09686	2.5
342.11978	20.7
440.09177	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00826	0.6
59.01380	8.9
61.98835	100.0
71.01382	5.1
72.01705	1.0
73.02954	1.4
85.02888	1.0
89.02444	3.4
99.00905	0.8
101.02438	5.2
112.91565	0.9
113.02460	0.9
116.56085	0.8
119.18661	0.7
157.95827	0.8
158.57477	0.9
161.04521	1.8
178.67828	0.7
180.06641	0.9
183.88394	0.8
196.65706	0.7
208.10213	0.9
245.87190	0.9
281.12427	8.3
282.12823	13.3
464.56122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
61.98835	27.9
68.85661	0.4
71.01365	1.6
72.00900	2.3
73.02942	2.2
85.02970	0.5
89.02414	0.5
93.03445	3.2
94.75262	0.5
101.02440	13.1
113.02424	0.8
115.04012	0.5
119.05045	3.9
137.08714	0.4
140.70039	0.5
160.07681	1.0
161.04474	0.4
163.04013	9.6
165.05516	0.8
179.76309	0.5
180.06673	100.0
199.06244	0.5
209.46034	0.4
222.07716	2.0
225.51451	0.4
229.49069	0.4
252.08807	11.2
281.12387	2.3
282.12741	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76515	2.0
59.01104	3.2
59.01385	69.9
60.01721	8.8
61.98829	11.5
71.01378	39.1
71.58276	2.6
72.01711	9.2
73.02942	12.0
75.11414	2.2
78.93262	2.0
85.02945	18.5
86.03286	2.2
89.02444	30.2
90.02769	3.2
92.84663	2.2
95.01398	2.4
99.00903	3.0
101.02451	37.4
102.02779	10.9
113.02439	15.2
114.02753	4.8
119.03505	5.0
119.07117	2.1
133.51512	2.3
144.87891	3.0
158.54359	2.3
161.04582	13.0
162.04880	10.4
180.06723	4.6
281.12448	68.9
282.12814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02007	1.7
56.90233	1.9
59.01383	59.6
60.01711	5.2
60.29525	1.9
61.98830	35.9
71.01379	30.5
71.41847	2.2
72.01698	3.4
72.80456	1.9
73.02944	9.6
84.35337	2.1
85.02929	12.5
89.02441	19.7
90.02778	3.3
101.02425	29.4
102.02776	9.4
113.02464	14.9
114.02757	3.9
119.03487	5.5
119.07119	3.0
120.07545	2.9
124.11443	2.4
143.67799	2.6
159.02919	2.9
161.04558	12.2
162.04935	3.8
186.02722	2.2
196.08377	3.0
255.02332	2.7
267.03894	2.4
281.12381	55.3
282.12769	100.0
354.32983	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31066	0.6
56.70620	0.6
57.70649	0.7
58.02984	2.5
59.01377	0.7
59.35474	0.7
71.01373	15.3
83.05007	7.4
88.04032	42.6
89.02409	0.8
91.03533	0.7
108.05796	1.3
111.08161	3.8
115.00352	16.2
132.03024	1.0
133.10229	0.8
139.11270	1.7
151.11276	53.9
169.12350	3.3
175.04033	1.3
176.04396	1.7
225.97737	0.8
226.10883	3.9
325.20218	3.6
330.40219	0.9
395.56607	0.8
396.36414	0.9
440.16406	4.7
440.22922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2446
Annotation	CHEBI:70179
Peak:m/z	Relative Intensity
54.15083	1.1
54.98337	1.2
59.01358	2.2
61.98833	1.5
62.04991	1.2
65.89518	1.4
66.97623	1.2
67.23013	1.3
71.05008	2.5
102.65623	1.4
105.07827	1.5
116.63134	1.4
119.04990	9.5
124.04038	1.5
133.41843	1.4
136.07677	2.6
136.68321	1.4
164.10828	2.6
172.94768	1.6
190.12369	2.8
192.13853	1.7
204.13869	12.2
218.11823	2.0
218.15588	11.9
220.17191	1.6
230.11819	1.7
230.15492	1.7
236.12772	1.9
246.15077	1.9
246.38460	1.5
252.18553	1.6
258.18735	19.2
261.53192	1.9
264.16058	3.1
284.16537	3.6
324.19705	2.8
324.33200	1.5
338.17697	2.1
356.18533	1.8
366.20605	6.5
378.24481	2.9
380.22629	1.7
382.20111	9.2
422.23419	16.0
434.14417	1.9
440.24423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2522
Annotation	Lys-Thr-Pro-Pro
Peak:m/z	Relative Intensity
51.29928	0.8
73.04041	1.1
74.19331	1.0
84.00906	2.4
102.36844	0.9
114.05601	39.0
115.08763	17.4
127.08689	1.1
152.07207	1.4
153.06723	4.6
155.08295	5.9
169.09787	11.3
171.07793	7.7
172.10927	54.7
173.09422	1.1
183.54642	1.2
224.17712	3.9
240.17183	12.2
242.19107	1.0
281.19894	1.3
297.19336	5.5
396.26205	3.3
412.61795	0.9
434.24890	0.9
437.01553	0.9
440.25208	100.0
441.34869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2809
Annotation	N-(alpha-Linolenoyl) Tyrosine
Peak:m/z	Relative Intensity
57.15801	0.8
58.02967	2.0
58.20881	0.8
72.00893	2.1
74.02431	1.7
79.45079	0.9
82.04062	0.9
82.06616	5.0
93.03455	6.1
95.22010	1.0
102.36687	0.9
106.04207	1.6
107.05005	7.9
119.05003	10.0
136.07680	1.8
144.06667	1.4
155.64763	0.8
161.82341	0.8
163.04004	15.6
177.99422	0.9
179.63805	0.8
180.06673	69.6
217.38780	1.0
384.75415	0.9
394.27493	1.2
396.29175	5.9
417.79855	1.0
440.28085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2813
Annotation	N-(alpha-Linolenoyl) Tyrosine
Peak:m/z	Relative Intensity
52.97743	1.3
72.00935	2.2
75.31271	1.4
77.18569	1.5
91.05519	7.0
97.57755	1.5
147.04530	20.5
158.25577	1.8
164.07172	59.7
268.79898	1.5
415.06046	1.7
440.28113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94902	0.8
59.01374	4.2
64.10468	1.0
71.01383	6.8
72.99307	2.0
73.02953	1.1
78.95910	36.2
87.00803	0.9
89.02435	6.6
93.03438	2.2
96.96956	100.0
101.02435	5.1
113.02419	1.2
119.03544	1.0
119.05049	1.9
121.05044	1.0
135.04507	4.6
155.03465	1.1
163.03992	13.9
173.04617	3.7
174.04965	1.8
181.05075	98.4
216.82564	1.2
250.94405	1.1
283.10376	6.8
319.80466	1.1
343.10367	87.1
441.07751	9.1
441.16565	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23702	0.9
52.91520	0.8
59.01379	2.3
67.46691	0.8
68.76766	0.9
71.01363	1.1
72.99323	2.4
78.95907	32.8
80.91684	21.4
82.35771	1.2
96.95969	3.5
96.96954	95.8
101.02433	2.1
106.93082	1.0
113.02465	1.4
119.03503	1.0
119.05003	3.9
135.04532	3.9
163.04008	16.1
167.83110	1.1
179.03503	1.2
181.05074	100.0
186.74611	1.1
197.04588	1.8
343.10364	78.3
359.09854	2.2
376.71463	1.2
441.08273	9.4
441.16324	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46454	0.9
70.37727	1.1
70.39938	1.0
78.95907	28.6
91.37243	1.1
93.03490	1.4
96.96954	90.4
100.48640	1.2
119.05013	1.9
135.04517	5.8
163.04002	13.0
181.05080	100.0
237.88255	1.1
255.19545	1.1
293.93301	1.1
341.94992	1.2
343.10376	86.1
441.08075	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71595	1.1
59.01379	2.5
61.98830	33.9
66.54223	1.1
67.08595	1.2
71.01366	1.4
72.99309	29.2
80.23935	1.3
81.03461	1.7
83.05021	33.3
92.06866	1.3
93.03496	1.9
111.04513	33.6
115.03990	18.5
127.04011	96.7
129.05589	11.1
135.04555	10.8
137.02443	6.7
145.02904	2.5
154.54622	1.5
155.03502	48.0
161.02449	10.3
164.04799	1.4
171.03044	2.5
179.03410	3.0
189.04002	2.7
199.02496	32.4
207.13136	1.5
217.03539	100.0
297.72415	1.5
441.14212	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	44.2
84.88573	0.6
96.21404	0.7
115.00359	100.0
119.05005	15.7
163.04005	33.9
180.36172	0.7
288.54208	0.7
307.73495	0.8
325.09323	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61045	0.9
59.01378	2.3
62.77848	1.1
71.01385	2.3
72.99004	1.1
72.99311	18.4
73.02931	1.5
81.03453	1.6
83.05018	25.5
99.04501	1.7
101.02459	4.5
105.46045	1.1
111.04510	23.5
115.03979	12.1
119.05063	1.5
127.04004	54.8
129.05565	5.4
133.02983	6.6
134.03711	5.6
135.04517	63.4
137.02444	5.6
155.03494	33.9
161.02429	78.3
163.03954	2.3
171.02991	1.7
179.03516	50.4
190.26817	1.1
199.02483	18.8
204.42618	1.3
217.03539	59.1
351.94315	1.4
441.14069	100.0
450.18796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
67.20383	1.1
71.01384	1.2
72.99304	23.0
81.03446	1.2
83.05029	32.8
93.03466	2.5
95.12923	1.0
111.04514	35.0
115.03986	18.2
127.04012	83.6
129.05592	11.5
133.02948	1.4
134.03772	2.3
135.04518	27.9
137.02428	6.0
146.28058	1.3
149.02428	2.1
155.03499	55.4
160.01688	1.2
161.02451	29.3
164.04779	2.6
171.03021	2.3
173.04538	1.6
175.04010	2.7
176.04456	1.1
179.03517	19.6
181.05086	1.1
190.02711	14.2
193.04970	1.4
196.31143	1.1
199.02502	31.1
205.05087	11.5
217.03542	100.0
223.06149	2.3
235.04495	2.0
376.87241	1.4
441.14023	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26866	1.4
51.77999	1.5
57.30204	1.5
59.01381	62.9
60.81057	1.5
66.98873	1.7
71.01376	45.8
73.02942	2.0
75.00867	12.2
77.92366	1.7
78.95918	3.3
80.96497	2.1
85.02934	9.9
87.00873	8.1
89.02440	81.5
92.23090	2.2
92.65450	1.7
93.03452	3.5
93.19704	1.8
95.57948	1.6
96.96964	17.1
99.00865	3.2
101.02429	29.2
105.01910	2.9
113.02438	25.9
119.03496	30.7
119.04985	13.2
129.01923	3.1
143.03546	3.4
147.02980	3.8
161.04613	2.3
163.04019	22.2
165.01985	3.7
165.02528	2.9
165.04034	78.6
179.05602	11.9
191.05611	2.6
216.06787	2.0
217.08673	12.0
226.72771	2.0
261.07709	16.6
341.10928	100.0
441.12442	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89844	1.1
65.88213	1.2
69.90965	1.3
71.01392	1.5
71.41338	1.4
72.99301	10.5
81.03455	1.8
83.05011	12.8
94.66293	1.3
99.04481	1.7
101.66031	1.5
111.04514	12.5
112.59038	1.3
113.02426	1.4
115.03998	9.3
127.04008	34.8
127.49840	1.9
129.05542	2.6
132.88182	1.7
133.03003	3.1
134.03746	3.5
135.04524	67.7
137.02444	3.2
155.03517	23.4
161.02441	68.1
179.03494	47.2
189.04216	1.6
199.02490	12.2
217.03563	41.9
249.70894	1.7
263.09360	2.1
267.54083	1.6
298.76581	1.4
404.87582	1.6
424.48166	1.8
441.14096	100.0
441.20175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1415
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
54.29317	1.2
59.01384	20.1
71.01364	10.3
71.64790	1.5
73.57395	1.7
74.06615	1.4
89.02445	12.9
93.03388	2.5
95.01350	1.7
101.02432	8.8
104.72480	1.6
111.04478	2.1
113.02445	12.0
115.04026	2.7
117.03458	3.4
119.03458	6.9
119.05032	25.3
127.03947	2.5
133.06587	3.5
134.03741	3.5
135.04506	9.4
145.02954	63.9
145.21558	1.6
156.74892	1.4
161.02438	15.8
161.06085	33.7
162.02803	1.9
163.04044	66.5
177.05569	16.9
178.02704	5.7
179.03470	3.3
193.05038	10.5
205.05077	34.3
217.03506	3.4
235.06076	7.8
262.20227	1.8
265.07211	19.0
295.10532	12.4
325.09421	8.9
441.13959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90874	0.5
59.01092	0.9
59.01374	7.3
71.01376	4.2
72.70111	0.6
85.02950	1.2
89.02421	2.8
89.86071	0.6
99.04508	0.7
101.02447	2.8
113.02424	1.5
121.02918	2.6
133.02936	8.3
134.03737	39.2
135.04512	19.7
137.01453	0.9
137.02451	14.4
139.03999	4.8
150.03258	1.2
161.02438	79.2
163.03952	1.3
178.02756	7.2
179.03503	14.4
181.04993	1.6
187.07625	3.2
199.07587	0.7
259.77670	0.7
279.08728	3.0
441.14059	100.0
443.45401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34883	0.9
59.01379	5.1
71.01357	7.5
72.99311	10.9
73.02943	4.3
78.95899	10.8
79.18374	0.9
83.05025	11.5
85.02944	4.6
97.76281	1.2
99.00895	1.3
101.02441	5.7
104.26341	1.0
111.04523	10.6
113.02445	6.0
115.04005	5.5
117.61118	1.0
122.50735	1.0
127.04001	28.0
129.05580	2.0
134.00130	1.1
135.04518	2.0
137.02383	1.4
147.04489	4.9
149.02466	5.8
152.31688	1.1
155.03494	15.7
162.60281	1.2
163.04019	1.8
164.04774	17.4
171.03003	1.8
175.00319	8.4
179.07185	1.6
190.02737	91.5
199.02510	9.6
205.05067	95.8
207.03011	1.4
208.03873	1.3
209.04652	2.1
217.03545	27.2
223.06111	12.8
324.19183	1.2
351.75879	1.1
368.27069	1.1
375.13947	1.2
441.14087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84696	0.3
53.01982	0.4
59.01394	3.3
61.47102	0.4
66.62425	0.3
67.01888	4.9
71.01367	1.6
74.27283	0.4
78.95898	0.4
83.01382	0.4
85.02930	0.5
88.39600	0.4
89.02442	2.4
95.01328	0.4
96.95995	2.2
99.53114	0.4
101.02420	0.8
111.00876	100.0
113.02447	0.4
123.04467	0.8
123.67756	0.5
134.03712	0.6
147.94368	0.4
153.01929	0.5
153.05591	2.2
329.12387	4.2
354.67657	0.4
354.73169	0.5
407.28101	0.5
441.14053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97567	0.5
59.01379	2.3
64.74400	0.5
71.01369	3.1
71.14681	0.6
72.99319	1.0
73.02939	0.9
85.02954	0.8
93.03454	2.3
99.04547	0.6
99.58571	0.5
101.01437	0.5
101.02423	3.6
108.09162	0.6
113.02451	1.2
119.04987	1.2
133.02975	4.2
134.03734	3.2
135.04520	68.2
137.02469	1.2
161.02437	64.5
163.03970	8.3
178.02684	0.8
179.03497	45.6
181.03482	0.9
181.05070	23.8
263.09244	2.3
343.10580	5.1
441.14063	100.0
456.74640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.8
68.79568	0.7
69.03620	0.7
71.01376	1.3
85.02939	1.2
97.02847	0.9
101.02434	0.9
112.35855	0.8
133.02956	7.8
134.03754	1.9
135.04561	8.0
139.07648	1.6
161.02452	100.0
179.03590	8.5
224.02173	0.8
235.89893	0.8
264.07776	0.9
279.12134	2.6
427.35406	0.9
441.14111	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.141
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
51.03111	0.6
59.01381	7.2
71.01379	5.0
76.42396	0.7
77.28194	0.6
89.02444	6.3
101.02456	5.1
109.02930	1.1
113.02402	1.1
119.03470	3.6
119.04955	0.9
133.02954	5.2
134.03682	0.9
135.04544	9.2
149.06151	0.9
161.02441	100.0
163.03960	1.2
177.05620	7.0
178.02634	0.8
179.03513	23.9
193.05099	1.4
221.04529	12.9
230.12775	0.7
247.96515	0.7
251.05605	4.3
253.41521	0.8
265.88477	0.7
281.06671	7.6
341.08661	5.5
423.59204	0.8
441.13956	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.0
62.08250	1.8
71.01380	34.3
85.02937	32.4
89.02438	44.5
93.03437	2.9
95.01380	3.8
96.00436	2.1
100.42698	1.9
101.02442	20.3
109.02933	4.3
113.02444	48.9
119.03507	10.2
119.05006	71.7
135.06641	10.4
140.03990	2.1
143.03474	2.7
160.46849	2.2
161.04651	6.8
161.05997	3.2
163.04016	100.0
170.27197	2.2
173.04713	2.3
179.05598	10.8
205.05049	4.9
215.07208	2.3
217.08699	55.3
261.07700	74.2
265.07169	2.8
279.94781	2.4
297.11932	38.0
306.35587	2.1
321.09766	8.7
351.10812	7.8
381.11838	4.5
441.16171	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30051	0.7
56.17896	0.5
70.53404	0.6
72.96088	0.6
96.96971	0.7
97.80909	0.6
99.92578	9.9
100.93353	67.0
103.39627	0.8
114.94910	5.3
115.92064	100.0
116.92851	6.6
132.92337	1.4
142.94415	85.0
144.35808	0.7
169.93193	1.4
253.21774	27.5
353.14154	1.4
401.01767	0.7
441.15112	1.4
441.19855	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
76.81679	0.5
80.46552	0.5
99.92590	11.6
100.93365	5.1
115.92078	13.2
116.92855	100.0
117.81940	0.5
122.45986	0.6
142.94438	2.2
162.30672	0.6
169.93144	1.1
170.93913	0.6
174.03226	3.6
175.03935	0.8
186.93347	0.7
200.04918	0.9
215.07242	1.3
229.12654	0.6
229.81625	0.7
253.21866	0.8
297.15051	2.3
353.14328	5.8
353.21289	0.9
369.13950	3.1
372.19571	1.0
441.15973	40.9
441.25867	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89539	1.3
57.18740	1.5
59.01382	100.0
67.06630	1.3
67.57216	1.3
68.94111	1.4
71.01376	55.4
73.02934	3.1
78.95897	13.1
83.01362	2.5
85.02952	14.5
87.00862	1.7
89.02437	75.0
96.96955	2.5
99.00904	2.6
99.04505	3.6
101.02446	42.2
103.36632	1.6
111.04535	4.1
113.02431	32.8
115.03999	3.6
119.03493	31.0
123.04474	2.8
127.04025	9.2
131.03532	2.6
143.03456	2.4
155.03526	2.9
161.04594	13.3
172.33005	1.6
179.05591	14.3
180.06726	9.3
181.04994	3.0
181.07005	3.6
199.02504	6.6
208.99655	2.0
213.89899	1.7
221.06630	3.4
261.09952	2.0
279.10812	2.0
395.15759	2.4
441.16241	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97828	0.7
59.01381	31.5
64.50285	0.9
66.59933	0.9
71.01376	30.2
72.99311	1.1
73.02934	9.3
85.02946	4.2
87.00882	4.7
89.02438	44.1
95.01392	0.9
96.96973	1.4
99.00877	1.3
101.02441	31.6
113.02438	16.9
115.04032	1.6
117.01929	1.2
117.05487	1.2
119.03486	17.0
119.59277	0.8
125.02417	1.4
131.03517	9.0
135.04538	1.0
143.03482	3.4
146.08192	4.1
159.03053	1.1
161.04524	10.5
163.03989	0.9
179.05643	9.8
217.11949	1.9
221.06682	21.2
283.10397	4.4
308.15311	0.9
329.86172	1.0
337.42267	1.0
441.16187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49783	0.7
54.51999	0.8
55.53916	0.7
56.68095	0.8
59.01385	1.2
62.43385	0.8
71.01387	1.9
72.99323	1.1
78.95923	2.9
97.02914	1.1
99.82966	0.7
101.02467	1.0
108.02166	0.9
109.77375	0.8
113.02504	1.0
115.04007	5.0
122.03718	3.3
123.04518	15.7
135.04507	0.7
148.05319	1.6
149.79257	0.8
163.07649	37.7
165.05525	11.8
165.06767	0.8
172.95625	0.7
173.36223	0.8
175.04045	0.9
178.86281	0.9
180.06693	0.8
180.07924	65.8
181.08710	100.0
190.02698	5.1
197.10161	0.8
203.48466	0.8
205.05049	5.2
224.20291	0.8
328.36612	0.9
343.14023	40.6
405.17422	0.9
441.13733	5.3
441.18909	2.5
441.24301	1.0
454.46625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48980	0.5
58.41584	0.6
61.94394	0.6
62.61077	0.5
84.54005	0.6
84.93863	1.5
99.92585	14.2
100.93355	47.4
115.92066	100.0
116.92851	6.2
120.63117	0.6
184.68942	0.6
235.66823	0.6
346.15250	0.7
369.21054	38.7
385.20374	6.8
406.94458	0.7
408.65039	0.7
441.19684	7.6
441.31479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60406	0.7
52.67301	0.6
59.01103	1.7
59.01381	32.3
66.99482	0.7
71.01376	18.1
73.02943	10.2
83.01357	6.0
85.02946	8.7
87.00865	0.7
88.81113	0.7
89.02429	1.4
95.54859	0.7
99.00871	3.6
101.02430	32.5
112.48038	0.8
113.02433	13.5
132.58559	0.8
143.03462	1.6
159.02972	4.6
160.11005	0.9
161.04532	12.4
167.13190	0.8
183.93698	0.8
235.11874	36.9
358.04166	1.0
381.17682	100.0
428.53003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.0
71.01375	24.7
72.96280	3.0
73.02927	8.0
83.01370	3.9
85.02937	16.5
87.83331	3.3
89.02432	5.6
99.00881	4.7
101.02430	43.5
113.02457	26.5
141.68532	3.6
143.03568	4.3
161.04587	14.7
249.13426	60.1
323.66382	3.9
381.17691	100.0
381.22333	3.6
389.48431	3.7
401.14862	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15431	1.4
59.01387	28.2
64.10366	1.5
70.32668	1.6
71.01378	28.5
73.02940	14.3
78.95912	3.0
83.01406	2.9
85.02962	13.2
86.63694	1.8
89.02449	6.8
99.00905	2.9
101.02440	47.6
108.79965	1.6
113.02428	17.4
135.04529	3.2
159.03006	2.8
161.04536	21.6
176.65118	1.9
193.06157	2.1
239.26216	2.0
249.13472	49.8
261.66861	1.7
306.47824	1.8
381.17703	100.0
441.14102	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2289
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
92.02672	7.2
93.03454	64.6
95.01405	5.1
98.95127	1.5
106.69391	1.6
108.02171	36.8
115.00372	2.0
117.98969	1.8
120.02178	7.5
121.02944	7.4
137.02391	1.7
165.01935	35.8
234.06970	1.7
293.21341	2.7
341.27582	1.7
397.29730	2.1
441.22891	100.0
441.29221	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13395	0.9
51.89270	0.9
56.31812	0.9
57.33847	1.0
59.01384	100.0
61.98829	19.6
62.51868	1.0
63.27948	0.9
75.00876	4.3
87.00865	7.7
111.32867	1.0
140.20641	1.0
201.28346	1.2
272.53165	1.2
289.18079	4.2
307.19199	6.2
338.48810	1.2
383.24335	1.7
441.25061	2.6
441.37170	1.2
446.88324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49704	1.5
59.01383	100.0
64.22362	1.7
97.06596	3.6
114.49457	1.9
121.06604	2.1
125.09758	2.0
130.08731	32.2
131.09116	12.6
185.11826	10.6
185.84660	1.7
209.11861	2.4
211.13503	3.3
235.13370	7.5
264.01053	2.0
307.19232	22.0
309.17218	3.7
351.17700	10.9
441.10471	2.7
441.17133	3.9
441.30591	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.99108	1.6
66.51911	1.5
80.03184	1.9
80.28510	1.5
86.96503	1.6
93.37672	1.9
99.08138	2.3
115.07605	2.6
125.09755	3.7
137.09691	12.5
173.54436	1.8
187.24077	2.1
207.10271	1.8
223.13461	21.0
255.03270	4.2
265.05212	2.8
265.18106	7.8
295.22940	2.4
307.19128	42.3
381.13623	3.3
381.22891	16.4
441.17270	9.5
441.27756	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75690	0.3
61.98826	2.4
66.06710	0.3
79.95735	2.7
82.99725	0.3
85.52668	0.3
96.96001	44.2
122.97588	3.1
224.85365	0.3
306.11096	0.3
367.92126	0.4
441.25302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19784	0.4
59.01353	0.3
64.96204	0.3
66.99804	0.3
79.95733	2.6
85.71284	0.4
92.22582	0.7
93.97595	0.4
96.96004	39.8
102.36997	0.4
122.97588	3.5
140.95708	0.4
164.90834	0.4
168.95752	0.4
277.21643	0.5
356.61130	0.5
409.24475	0.4
410.51889	0.4
441.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12335	0.4
61.98824	0.5
67.81189	0.4
79.95731	2.7
94.98040	0.7
96.96004	42.3
98.45860	0.5
104.62839	0.4
122.97567	4.4
176.79977	0.4
179.46704	0.4
191.28429	0.5
314.97293	0.5
441.25314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06079	5.1
54.43887	4.8
65.45775	4.7
92.02664	6.7
93.03448	51.6
95.01435	6.6
108.02189	43.5
115.00323	12.7
121.02940	6.1
165.01930	39.4
192.47968	6.8
255.62050	6.1
441.22775	100.0
441.28348	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69470	0.6
61.98818	1.5
78.78987	0.7
79.95739	1.7
80.55036	0.6
96.96004	45.3
103.46548	0.7
122.97576	4.9
127.05064	0.9
145.06195	0.9
147.04498	1.0
164.07108	0.9
165.07449	0.8
165.37071	0.7
223.59094	0.7
267.59073	0.7
405.27475	1.4
441.25253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08775	0.7
57.50494	0.7
58.02970	5.0
70.02975	12.4
75.37377	0.9
83.05044	1.0
85.02948	1.2
96.00912	49.2
97.06592	1.6
112.80035	0.8
113.03574	6.9
114.01965	24.6
122.88510	1.0
124.07664	0.8
125.09699	1.0
130.16447	0.8
131.04614	15.6
142.12419	0.9
152.10791	1.1
165.55188	0.9
170.11816	1.5
180.13928	1.2
182.15533	5.5
184.13409	1.3
192.13997	1.5
210.15045	16.2
220.13510	1.3
228.16161	1.6
238.14531	1.0
238.24475	0.9
282.86353	0.9
290.21289	1.1
337.20062	1.3
378.85474	0.9
423.25085	6.5
441.26154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.265
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
52.90398	1.0
57.03455	3.2
58.98194	1.3
64.48360	1.1
69.55675	1.1
70.28574	1.3
84.55219	1.3
85.02937	17.1
87.00870	25.2
102.13332	1.5
103.79071	1.5
147.10182	1.4
172.05280	1.6
173.06029	1.7
175.09966	1.4
187.07681	2.2
188.08438	12.1
190.09990	3.0
199.07613	1.7
201.09290	2.6
202.09940	1.9
203.10750	1.8
205.08681	2.8
213.09186	6.5
214.10104	1.7
218.21497	1.6
228.27107	1.4
241.12282	1.7
254.13292	1.5
256.14734	17.8
260.14240	11.1
267.26920	1.7
277.35098	1.3
279.23318	12.1
282.16528	1.9
297.22247	1.6
307.30164	5.3
310.19312	2.9
325.18210	2.5
325.21762	47.3
325.25247	1.9
328.20410	12.9
351.28934	2.8
361.29117	2.1
369.30090	3.2
379.32141	2.5
441.26471	100.0
441.32190	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2651
Annotation	Chabrolohydroxybenzoquinone C
Peak:m/z	Relative Intensity
69.42604	1.1
70.45806	1.2
75.33939	1.0
91.46689	1.0
116.19845	1.4
117.74985	1.5
121.40147	1.2
126.58590	1.1
149.06091	10.5
150.06409	5.0
161.06061	2.0
200.08302	2.0
201.09232	4.8
202.09998	11.7
213.09238	2.1
215.10800	6.7
226.13217	1.2
227.10757	1.6
260.14078	1.4
270.16330	15.4
273.15033	9.9
281.80817	1.4
283.17047	1.8
285.15143	1.2
310.19409	1.4
325.21881	1.5
338.22562	14.1
339.23398	9.6
379.26474	1.5
380.27225	5.2
382.25256	2.2
397.27563	9.8
441.26523	100.0
441.32166	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2653
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
53.19009	1.1
61.10644	1.2
72.82230	1.2
77.03763	1.3
89.61643	1.1
90.93840	1.3
135.04503	3.1
146.03714	1.5
147.04402	2.2
151.15846	1.4
162.03218	1.3
163.42972	1.3
164.04762	1.5
174.03168	2.6
175.04013	5.6
185.97739	1.5
188.04825	1.5
188.08429	6.8
216.07915	11.7
217.08698	2.0
231.10176	2.6
242.13168	1.7
259.13397	1.4
279.23279	10.3
285.14807	3.4
287.16446	6.6
293.25027	1.8
302.15207	12.1
390.52521	1.7
393.68826	1.6
397.28021	1.5
407.53119	1.5
441.26431	100.0
441.35977	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2652
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
68.90819	0.9
72.22209	0.9
83.97612	1.2
84.10518	0.9
109.06593	2.1
111.04504	1.0
115.92035	1.4
135.04498	2.1
142.94350	1.9
146.03751	2.1
147.04471	1.3
148.01706	1.3
150.03217	15.5
161.02420	1.8
162.03278	6.9
163.04010	8.8
164.04794	7.2
174.03261	6.7
176.04765	3.9
178.02728	27.0
190.02657	1.3
191.03479	1.8
192.04247	6.5
199.07722	1.1
217.05038	4.1
228.07954	1.5
244.14728	1.9
246.09047	2.0
259.17154	1.2
269.15378	5.7
272.14099	1.1
273.14963	5.1
287.16531	29.3
297.14911	6.3
315.16092	42.9
353.28586	8.0
441.26401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3014
Annotation	Atomaric acid
Peak:m/z	Relative Intensity
57.03458	2.2
57.98682	1.4
59.01381	52.1
59.01649	3.0
59.64791	1.6
69.84232	1.7
72.07986	1.7
76.12970	1.8
83.23392	1.7
108.02169	14.6
121.03005	3.0
122.03735	4.3
123.04517	32.4
124.40713	2.0
135.04631	1.8
147.27190	1.8
167.03600	2.5
175.07712	7.9
176.46312	2.0
244.14664	25.6
260.17651	12.8
277.21942	2.6
304.16913	19.8
312.21106	9.2
354.07147	1.7
381.28174	11.2
397.31052	15.2
441.30447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87774	0.4
62.26927	0.5
68.12488	0.5
72.00916	1.0
74.02471	37.9
85.02934	1.3
87.00869	5.5
98.78802	0.6
99.40158	0.5
116.04276	0.8
116.05058	16.3
130.06631	2.8
142.06596	3.7
159.09259	6.6
186.05553	0.7
203.08287	38.3
209.01466	0.5
224.47371	0.6
224.55959	0.6
237.40807	0.8
254.24925	7.0
266.24915	2.2
268.26501	4.0
279.23422	0.9
294.24429	12.0
312.25497	5.9
379.31726	0.7
397.32300	3.8
441.31326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88287	0.8
53.93422	0.8
60.61319	0.9
63.16172	0.9
65.52984	0.9
68.19637	1.1
72.99319	11.5
76.55414	1.0
78.35065	0.9
100.93369	1.1
115.92066	2.1
117.59457	1.0
123.85943	1.4
129.09221	8.7
130.65384	1.2
141.09218	100.0
167.07114	8.5
185.08174	12.6
197.12280	1.0
255.23325	71.0
321.21899	1.1
441.32385	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3234
Annotation	oscr#33
Peak:m/z	Relative Intensity
57.03456	7.3
59.01389	1.0
67.05514	1.3
74.02464	1.3
78.73473	0.9
85.02950	32.1
87.00870	53.3
129.77731	1.2
134.61659	1.1
146.98724	1.2
161.04570	1.6
171.59438	1.1
203.08270	1.6
218.43704	1.0
267.26859	8.4
279.23328	18.7
281.24890	1.2
323.33365	3.9
337.31201	2.1
351.32828	1.3
379.32278	11.4
441.32196	100.0
444.87457	1.2
451.29596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	8.5
67.05527	1.1
68.93880	0.9
85.02943	32.4
85.04176	1.0
87.00870	55.8
87.75166	0.9
91.51324	1.0
99.32253	0.9
100.20342	0.9
142.47021	1.1
165.60014	1.1
178.70114	1.1
237.64549	1.3
267.26868	7.8
279.23199	2.3
281.24973	1.3
300.75290	1.1
323.33139	5.0
337.31104	5.7
351.32657	1.9
379.32349	9.6
441.32239	100.0
453.18054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43599	0.4
59.01365	0.8
60.03404	0.6
61.79616	0.5
66.92733	0.4
67.54842	0.5
88.48534	0.7
95.78544	0.5
117.68410	0.6
121.91637	0.6
126.02036	0.6
153.12804	2.5
167.14415	11.8
179.18456	0.6
184.17101	0.8
197.11845	2.9
210.14977	3.2
211.13399	26.5
214.14497	21.2
215.12898	1.3
228.16040	100.0
229.14478	11.4
315.37766	0.5
344.12729	0.7
347.09854	0.7
423.32449	1.2
441.33310	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51536	0.8
51.65313	0.6
52.83579	0.7
56.67440	0.8
60.07621	0.7
69.56572	0.7
78.47450	0.8
78.95906	31.2
82.90116	0.9
96.96957	100.0
98.97382	1.8
101.02444	0.9
119.04995	0.8
119.21016	0.8
120.05400	0.9
121.43330	0.8
130.63336	0.8
151.05107	1.6
163.03998	5.9
164.04352	8.5
165.43341	0.9
181.05075	41.5
182.05418	52.9
212.06686	1.5
343.10303	1.3
344.10709	73.9
425.05957	0.9
433.57736	1.0
442.08362	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
63.05667	0.8
70.02970	12.3
70.40659	0.8
71.05015	1.7
78.95889	2.2
80.05047	1.1
85.02952	9.8
89.02408	1.4
96.96972	7.6
97.02950	29.7
101.02433	1.1
108.04552	18.8
109.04080	1.8
114.01965	36.0
115.04005	100.0
151.05136	63.1
197.04535	2.3
229.08328	15.2
253.98775	1.0
327.12012	0.9
344.10928	3.7
442.14767	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72903	1.0
53.66100	1.0
56.01924	0.9
59.60216	1.0
59.82133	0.9
60.11860	1.0
70.02980	8.2
71.05014	1.9
73.86876	1.0
84.35234	1.2
85.02950	8.5
86.21105	1.2
87.71717	1.0
94.52826	1.1
97.02929	26.6
108.04552	13.9
114.01961	32.8
115.04001	100.0
150.76918	1.2
151.05141	62.3
211.07156	2.2
217.34799	1.2
221.84894	1.2
229.08289	17.3
257.67978	1.4
327.11859	1.2
408.39694	1.1
442.01721	4.8
442.08542	2.7
442.14709	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44975	1.6
70.02988	11.7
71.05029	1.6
85.02949	4.4
97.02936	29.7
100.68370	1.9
101.40399	1.7
105.14773	1.9
108.04556	22.1
114.01965	41.2
115.04008	100.0
115.04819	3.4
125.98579	1.7
151.05144	61.8
225.05692	2.2
229.08295	14.5
442.14713	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44975	1.6
70.02988	11.7
71.05029	1.6
85.02949	4.4
97.02936	29.7
100.68370	1.9
101.40399	1.7
105.14773	1.9
108.04556	22.1
114.01965	41.2
115.04008	100.0
115.04819	3.4
125.98579	1.7
151.05144	61.8
225.05692	2.2
229.08295	14.5
442.14713	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10591	0.8
61.98830	100.0
75.55893	0.7
78.92373	0.6
87.15384	0.8
102.13964	0.6
122.69650	0.7
128.89317	0.8
207.00357	0.7
320.60065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34838	0.4
54.72831	0.5
61.98831	100.0
62.79493	0.5
71.01385	0.8
76.71622	0.5
79.04385	0.5
82.77561	0.5
84.80344	0.5
85.02930	0.6
95.88943	0.6
97.02958	0.6
101.02406	0.9
115.04007	2.7
120.25273	0.6
136.50002	0.5
143.17003	0.6
151.05104	0.8
168.51134	0.5
198.20934	0.6
229.85936	0.6
237.43755	0.6
274.10428	0.6
276.58673	0.5
283.12836	0.7
284.13220	1.0
330.21982	0.7
442.14926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	6.2
83.05061	3.6
87.04488	3.7
97.02930	6.8
108.78028	2.7
115.03990	15.0
116.04270	3.1
116.70170	2.9
118.01446	6.5
135.08179	4.3
137.09737	4.0
149.09697	7.0
151.11327	4.6
161.09668	5.6
171.10268	62.4
171.68839	3.0
179.10762	100.0
195.94176	3.0
201.11249	12.2
210.12251	3.5
223.09723	14.1
249.15062	13.8
251.16513	20.6
263.16522	16.3
265.18088	14.8
270.09937	4.9
275.16608	33.0
293.17609	69.6
313.54306	3.9
323.18683	6.3
337.16623	20.4
343.21243	3.7
344.21579	33.0
351.21695	35.7
380.21613	4.3
382.14954	4.1
394.41205	4.4
395.20737	45.6
442.20432	96.7
442.25513	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36606	0.6
59.01369	0.9
61.98832	100.0
73.46346	0.6
75.01701	0.7
75.33894	0.6
79.70508	0.7
82.24113	0.7
106.48479	0.7
130.08717	3.4
357.73807	0.8
442.31824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48336	0.7
61.98831	100.0
65.76273	0.7
67.10944	0.7
75.09042	0.7
75.09936	0.6
116.92815	0.9
174.64888	0.9
205.83377	0.8
271.50980	0.8
279.64310	0.8
405.63898	0.9
411.34103	0.9
442.26605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33623	0.3
61.98833	100.0
65.13796	0.5
65.73823	0.5
71.25922	0.4
73.67626	0.5
81.54512	0.5
112.24496	0.6
116.28943	0.5
130.08821	0.5
132.32950	0.5
185.27835	0.5
230.82861	0.5
350.98224	0.6
456.62158	0.8
465.06030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51645	0.7
55.46292	0.8
61.98834	100.0
80.49825	0.8
121.41426	0.8
140.62253	0.9
153.46971	0.9
191.32553	0.8
213.32948	0.9
278.85709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	4.0
71.05528	0.9
72.00906	1.2
81.03619	1.0
91.05527	13.1
92.92196	1.0
113.09699	7.1
147.02660	1.1
147.04512	25.6
152.42255	0.9
164.07173	63.6
164.49081	1.0
172.07745	0.9
179.14476	1.2
442.29691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2964
Annotation	Yibeissine
Peak:m/z	Relative Intensity
55.25193	1.8
64.21033	1.8
64.24841	1.9
68.77298	2.1
91.05557	10.6
92.23139	2.4
97.48246	2.5
98.25845	2.1
106.95370	2.3
109.70040	2.4
147.04509	23.5
164.07178	67.3
184.13554	3.3
234.89876	2.5
319.38629	2.6
442.29703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2968
Annotation	Yibeissine
Peak:m/z	Relative Intensity
58.02970	1.9
69.38830	0.7
72.00890	1.2
74.02437	1.2
79.55148	0.7
84.94201	0.8
91.63107	0.8
93.03436	3.3
106.04266	1.0
107.05010	7.0
116.92828	1.5
119.05010	7.9
122.55260	0.8
136.07626	2.8
163.03986	12.9
180.06674	71.4
278.24875	1.7
398.30835	10.2
442.29700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18077	1.2
51.89581	1.0
61.98831	7.2
67.90380	1.3
82.47337	1.2
87.46919	1.2
103.31765	1.2
110.81712	1.3
130.08736	100.0
144.45959	1.4
157.45097	1.5
239.31541	1.4
252.23270	1.7
351.43265	1.4
429.99564	1.5
442.31781	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17369	1.0
57.03456	1.1
59.01379	14.1
63.33151	0.9
64.93711	0.9
71.01384	16.9
72.99312	2.0
73.02937	2.0
75.00856	12.6
78.36391	1.0
85.02946	18.2
87.00863	8.6
89.02435	9.0
95.01351	4.9
99.00874	7.7
101.02443	1.4
103.00352	2.1
111.00842	1.0
113.02444	35.6
117.01904	4.0
117.03477	3.8
119.05035	1.7
129.01929	1.8
134.03738	30.7
149.06117	4.2
160.01631	2.1
161.09564	1.0
163.04033	1.2
175.02560	3.3
175.04024	12.0
193.05055	26.7
207.05081	1.9
249.06160	6.3
267.07196	56.6
443.11975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.1
71.01369	18.8
72.99285	2.2
75.00870	13.2
77.44017	1.5
85.02950	18.2
87.00874	7.7
89.02431	8.1
95.01363	5.7
99.00860	8.4
99.54920	1.3
101.02454	1.6
103.00376	2.3
111.00893	2.0
113.02444	39.1
115.03990	1.5
116.53087	1.7
117.01889	2.9
117.03455	2.3
134.03745	30.7
149.06042	3.2
160.01712	2.4
175.02617	2.0
175.03972	13.9
191.05502	2.4
193.05061	30.1
207.05133	2.3
249.06094	7.4
267.07175	59.2
308.68320	1.5
393.96747	1.7
443.11969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20284	2.7
59.01386	67.0
61.37611	2.8
71.01380	29.3
73.02953	17.8
75.00868	41.1
75.10823	3.1
84.99501	2.9
85.02954	26.3
87.00875	13.2
89.02443	22.4
92.23155	3.1
95.01377	4.1
97.02937	3.5
99.00871	14.8
101.02457	30.9
102.00652	4.0
113.02451	39.5
124.99478	3.6
130.59828	3.2
134.03732	36.7
147.04517	8.0
149.06049	4.3
160.01558	3.8
161.04559	14.7
161.05927	3.8
164.04817	5.2
164.87161	4.0
173.04663	3.5
175.04025	5.1
190.02728	6.2
191.05598	4.2
193.05087	34.0
205.05078	21.5
237.06226	31.2
249.06079	4.8
267.07187	25.1
269.10330	16.8
311.11398	4.7
390.00943	3.4
401.14359	6.6
434.90042	3.4
443.10959	100.0
443.16507	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96054	0.9
57.03445	0.9
59.01382	14.0
62.73735	0.8
64.04665	0.8
71.01376	15.9
72.99297	4.1
74.46752	1.0
75.00872	9.4
83.64352	1.0
85.02960	18.4
87.00882	8.1
89.02457	8.7
95.01373	3.9
99.00859	8.3
103.00368	3.3
113.02446	41.1
115.00362	1.5
117.01934	2.1
117.03445	1.5
129.01939	1.4
131.03479	1.2
134.03743	31.7
149.06087	7.1
157.01508	1.4
160.01669	3.7
161.02458	5.0
175.03989	11.9
178.02722	1.3
193.05060	35.2
206.02246	1.6
207.05186	2.0
221.04550	1.5
237.89708	1.0
249.06184	5.8
267.07202	55.4
429.84467	1.0
443.12018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.2
61.79905	1.2
63.45511	1.4
71.01033	2.2
71.01369	17.5
72.99303	2.5
73.27027	1.5
75.00860	12.7
79.58710	1.8
85.02952	20.9
87.00864	12.6
89.02432	8.9
91.99534	1.7
95.01364	3.2
99.00858	12.4
103.00388	3.0
103.89869	1.4
113.02441	42.6
115.00354	2.2
117.01989	2.1
119.05017	2.0
129.01961	2.8
131.03467	1.7
134.03743	32.8
149.06047	6.8
160.01656	3.1
161.02409	1.9
163.03864	1.8
175.04004	14.4
193.05069	23.7
202.45419	1.5
207.05063	1.9
249.06192	9.2
267.07178	62.8
443.11981	100.0
445.88361	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01102	0.7
59.01382	11.6
66.91499	0.4
68.99809	0.7
69.03425	0.5
71.01376	11.9
72.99312	3.6
73.02946	2.0
73.74371	0.4
75.00867	12.0
78.48244	0.4
83.03505	0.4
85.02940	15.7
87.00879	6.3
89.02439	5.1
91.04005	0.5
95.01394	4.9
99.00868	8.1
103.00359	1.8
111.00844	1.0
113.02445	29.1
115.00372	2.1
117.01910	3.2
117.03452	3.1
117.91740	0.5
129.01936	2.9
131.03479	0.5
134.03737	39.2
135.04497	1.9
149.06073	7.5
157.01385	0.6
160.01694	2.4
161.02391	2.1
162.50969	0.5
175.02464	2.4
175.04001	8.1
179.03656	0.6
189.03935	0.5
193.05063	37.0
207.05067	2.3
249.06139	13.2
252.06299	1.7
267.07181	34.9
273.53946	0.5
343.37619	0.5
381.11627	0.5
425.10916	0.9
443.12003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97073	1.6
59.01378	18.3
71.01384	16.1
72.99297	3.2
73.02914	1.9
75.00847	11.9
85.02949	17.2
87.00847	4.6
89.02428	7.8
95.01341	4.2
99.00876	4.4
101.02428	2.3
103.00357	2.2
109.19910	2.0
113.01765	2.0
113.02445	31.5
117.01899	3.6
123.06171	2.0
124.74353	1.9
134.03752	40.8
149.05997	7.3
160.01610	2.2
161.02460	3.0
175.03961	4.2
193.05092	32.5
244.45992	2.2
249.06230	16.7
267.07181	35.9
268.09488	2.1
269.10028	2.1
443.11761	100.0
445.39948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19386	0.9
56.82368	1.2
58.80552	1.0
59.01100	1.8
59.01382	28.8
66.01758	1.1
71.01378	26.5
72.99299	4.6
73.02939	2.1
75.00870	15.1
85.02945	26.4
87.00862	11.5
89.02441	17.5
92.22505	1.8
95.01382	6.8
96.06170	1.0
99.00871	12.9
101.02420	7.6
103.00360	4.6
113.02446	58.9
115.00343	1.5
117.01924	4.8
117.03442	2.9
119.03491	2.1
119.05006	9.4
121.02901	1.5
129.01907	4.3
131.03450	1.9
133.02960	4.6
134.02713	2.3
134.03735	48.1
135.04543	19.8
138.98991	1.2
143.16144	1.1
145.02957	34.2
149.06049	7.5
160.01640	5.1
161.02443	76.2
163.03976	15.5
175.02628	2.0
175.04030	19.6
179.03494	16.6
193.05057	37.1
205.05121	1.3
207.05185	4.9
249.06163	8.7
252.06337	1.5
267.07211	87.0
277.49844	1.4
281.10269	1.8
334.09085	1.3
443.11850	100.0
443.16193	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.9
71.01374	3.8
73.02934	1.0
81.23959	0.8
85.02924	1.6
89.02439	5.4
93.03442	0.8
95.77498	0.8
99.00865	1.0
101.02433	6.8
113.02436	3.5
116.62232	0.9
119.03480	3.3
119.05028	2.0
133.02940	3.6
134.03738	4.5
135.04520	19.6
145.02986	10.3
158.42451	1.0
160.01675	5.0
161.02448	75.1
163.04027	4.7
175.03992	11.4
179.03500	19.4
192.74567	0.8
193.05070	1.5
194.27473	1.0
211.45819	1.1
263.09198	1.2
276.62973	1.0
281.10385	4.2
310.26929	1.1
408.06018	1.1
443.15701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23875	0.6
58.29105	0.5
59.01385	4.4
71.01395	4.0
78.05744	0.6
82.32504	0.5
85.02958	1.3
87.82796	0.6
89.02447	4.6
89.66213	0.6
94.48888	0.7
99.83343	0.6
101.02454	3.7
113.02459	4.9
117.03442	7.3
119.03536	1.0
119.05022	13.2
131.03339	0.6
134.03795	1.5
135.04532	0.6
135.06679	4.3
137.03975	0.7
145.02953	100.0
149.06145	0.7
153.68666	0.6
161.02480	2.6
161.04695	0.6
161.06087	3.6
163.04018	24.3
163.05319	1.3
171.31137	0.6
177.05533	1.3
184.47060	0.6
193.05125	1.2
205.05127	4.9
205.19705	0.6
249.38007	0.9
265.07361	1.0
267.07382	2.8
394.93112	0.8
421.12396	0.7
432.13373	0.7
443.15857	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
71.01402	1.7
73.94949	0.9
76.05420	1.2
85.02945	1.3
89.02422	4.0
92.22507	2.1
99.00871	10.5
101.02421	2.6
105.63686	1.3
112.30205	1.0
113.02467	2.5
117.03480	6.0
119.05018	31.1
135.04544	1.2
135.06645	2.5
145.02956	100.0
161.02483	13.1
163.02643	2.2
163.04010	52.2
176.63220	1.2
183.06648	1.5
205.05113	1.5
208.84319	1.0
227.61601	1.1
261.06219	2.1
265.07278	1.1
297.08395	1.7
396.61575	1.3
417.71390	1.3
443.15704	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46707	1.2
57.45741	0.9
59.01375	1.1
71.01379	1.6
72.99304	81.5
87.00859	1.5
92.23112	1.3
102.55356	1.3
106.69697	1.1
113.02474	1.9
123.04516	26.3
134.03778	2.2
135.04523	34.6
149.06052	1.2
179.03506	79.0
191.82843	1.1
193.05096	2.0
197.04564	100.0
256.80011	1.2
273.51144	1.3
443.15732	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25916	1.3
62.06905	1.4
66.28927	1.3
69.03438	1.4
97.66817	1.5
99.92567	6.1
100.93356	40.1
105.38477	1.7
114.94932	3.4
115.92070	100.0
116.92850	2.1
142.94415	62.4
169.93068	1.6
196.53398	1.5
230.05473	1.7
255.23320	20.7
281.24963	2.4
329.49881	1.6
355.16098	2.0
399.32742	5.6
443.17923	1.7
443.29758	2.6
452.13556	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.193
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.67108	0.9
55.01873	1.0
57.03434	0.8
59.01382	22.0
63.13472	1.0
71.01381	40.8
73.02950	22.6
83.01388	6.2
85.02951	23.0
87.00854	1.9
89.02446	9.1
95.01373	2.7
97.02939	1.6
99.00880	12.8
100.29591	1.4
101.02442	41.5
111.00847	1.6
113.02460	23.0
125.02437	1.1
135.55515	1.0
140.16420	1.1
141.58926	1.0
159.03011	1.8
161.04626	12.2
176.18642	1.1
180.91620	1.1
311.15112	31.7
349.85706	1.2
351.74860	1.3
409.34540	1.2
443.19299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33242	0.3
59.01379	2.8
67.01889	2.7
71.01371	4.0
72.99332	0.5
73.02921	0.7
74.84221	0.4
75.00870	0.6
75.52583	0.3
79.37515	0.4
80.44627	0.4
83.01344	0.5
85.02960	3.6
87.00845	0.7
87.87990	0.4
89.02453	3.0
90.95046	0.3
95.01365	0.6
99.00897	0.6
101.02438	2.2
111.00872	100.0
113.02423	3.5
134.03702	3.0
147.59134	0.4
161.04535	0.5
165.22479	0.4
175.00417	0.6
190.02704	4.1
193.05000	4.0
205.05005	3.0
249.06175	0.7
267.07242	3.3
331.17789	0.8
334.05530	0.4
389.49750	0.5
443.11987	7.0
443.19388	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
67.01878	4.0
68.09987	0.3
68.29866	0.3
68.93555	0.3
71.01388	2.1
74.99761	0.3
75.00856	0.5
85.02947	1.7
87.00897	0.5
88.73585	0.3
89.02428	2.1
92.22481	0.5
95.01359	0.5
101.02437	1.3
111.00871	100.0
113.02435	2.3
134.03735	2.2
146.26634	0.3
149.05984	0.4
175.03983	0.4
177.77588	0.3
187.36841	0.4
191.05789	0.4
192.94943	0.3
193.05017	1.7
221.08217	0.7
222.43732	0.3
249.06189	0.4
257.94785	0.4
267.07172	2.5
388.59674	0.3
443.12027	5.8
443.19269	3.0
443.24966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60356	0.5
54.75827	0.5
76.51315	0.5
79.12579	0.5
85.12079	0.7
97.65447	0.6
99.92574	3.2
100.93360	78.3
102.63688	0.5
108.51434	0.6
115.92070	100.0
116.92846	3.4
230.02815	0.6
319.77295	0.6
360.27814	0.6
399.22058	3.5
399.67203	0.7
443.21075	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02708	1.8
59.01382	100.0
59.93339	2.2
61.98814	3.2
69.12540	2.0
71.01388	20.6
72.99293	3.9
75.46017	2.4
113.09717	13.0
115.00330	6.0
138.63902	2.3
171.10257	15.5
178.26894	2.3
185.11823	5.5
195.10283	22.0
197.11752	3.2
201.09492	5.0
201.11342	70.2
213.11299	35.5
291.19687	13.2
309.20847	24.0
327.21817	94.7
329.23239	4.7
339.22104	2.3
355.22906	4.8
365.23444	2.6
378.51205	2.6
385.29871	2.5
443.22244	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2447
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
50.31693	0.8
59.01359	1.0
63.16451	0.9
78.90147	1.0
92.02689	8.6
93.03447	48.7
95.01356	4.8
108.02174	36.1
120.02122	9.6
121.02958	2.2
123.00804	1.2
137.02385	1.5
145.47795	1.2
157.92757	1.3
160.63130	1.3
165.01936	32.8
175.46759	1.1
184.43307	1.2
277.21796	1.4
288.39667	1.2
443.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44505	0.6
59.74898	0.5
73.49887	0.5
82.08849	0.5
84.06301	0.6
92.22441	0.7
141.55037	0.7
142.53412	0.7
143.38774	0.7
159.08472	3.4
303.76331	0.6
359.15393	100.0
424.09149	0.7
427.21680	50.6
443.24515	29.3
451.60580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61828	0.4
63.54952	0.4
73.29021	0.6
97.28116	0.4
106.01911	0.5
131.60892	0.5
159.08472	3.1
215.03909	0.5
227.91200	0.6
285.34372	0.5
359.15384	100.0
377.16473	0.8
427.21628	50.0
443.24802	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63306	0.8
59.01381	100.0
60.84323	0.7
61.98831	7.8
69.94064	0.7
79.60774	0.8
82.66632	0.7
90.61417	0.8
92.90582	0.8
96.67068	0.7
122.43515	0.8
154.89299	0.8
167.16322	0.8
187.58624	1.0
291.19672	4.3
309.20700	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.27279	0.8
61.98840	0.8
62.62535	0.8
73.12667	0.7
93.74576	0.9
97.06609	0.9
102.07430	0.8
116.92870	1.1
202.26521	0.8
248.57033	0.9
309.20694	5.9
443.13470	1.3
443.24365	1.2
443.28735	1.4
462.38715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05923	1.1
55.65083	1.0
59.01381	100.0
59.67379	1.3
66.46439	1.4
71.01385	19.6
72.99306	5.3
77.96085	1.2
83.05019	1.5
84.87696	1.2
90.52765	1.2
115.00350	12.6
121.80596	1.6
124.23164	1.4
133.01436	5.5
133.05101	2.2
144.30032	1.3
145.02948	11.5
171.10320	14.5
183.10255	8.5
183.13870	2.7
197.11772	12.5
201.11362	5.3
209.15509	3.2
211.13394	1.9
221.15407	2.4
225.14932	7.4
239.16507	8.7
251.16481	2.4
291.19571	7.3
309.20819	18.9
327.21796	64.9
353.19095	8.8
371.20175	9.2
407.17233	5.3
443.17599	2.4
443.23056	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33270	1.1
54.27396	1.0
56.75851	1.1
58.53673	1.0
58.70056	1.0
59.01382	100.0
63.88144	1.1
70.35732	1.1
70.37663	1.1
71.01381	21.2
72.99296	8.3
92.22498	1.6
111.08137	2.5
115.00350	12.6
115.04007	2.0
119.08673	1.7
133.01419	7.4
137.09727	9.9
150.36520	1.4
169.12271	1.5
171.10268	37.8
195.13957	2.0
197.11847	10.3
199.13406	2.3
201.11333	11.4
209.15495	8.0
211.13373	1.5
223.16988	2.1
225.15022	2.5
239.16451	3.0
251.16548	10.6
291.19659	9.8
309.20749	20.3
327.21786	74.3
341.29626	1.7
443.22342	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
62.70636	1.0
71.01380	7.5
71.05013	1.7
91.03984	6.5
115.00339	2.3
135.26968	1.3
137.09744	2.9
144.63969	1.3
171.10266	13.2
197.11737	1.8
209.15482	7.2
223.17065	2.2
224.96645	1.3
251.16531	17.7
291.19717	11.2
309.20743	37.1
327.21786	42.0
355.32431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01371	12.5
61.29435	1.1
64.18000	1.4
70.90443	1.2
71.01379	1.6
75.00867	15.8
79.39820	1.3
80.90989	1.2
84.52510	1.2
85.02946	3.0
85.87035	1.2
92.22900	2.0
94.98070	2.1
96.96940	2.3
99.00876	6.5
113.09718	2.2
115.97701	1.4
129.01958	7.8
147.02917	9.5
165.04053	1.6
171.10274	7.5
195.13910	23.0
245.02577	1.9
277.21768	33.6
285.05731	2.2
295.19479	2.4
295.22830	70.0
301.43365	1.4
398.14255	1.5
443.26566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2766
Annotation	Broussonetine J
Peak:m/z	Relative Intensity
51.96926	0.8
58.02973	3.9
70.02969	9.4
96.00907	43.1
113.03542	6.9
114.01951	25.4
125.09674	1.1
131.04649	14.8
147.49197	1.0
152.10793	1.6
153.09158	2.2
155.88467	1.1
170.11847	1.6
182.15514	6.1
192.14005	2.2
210.15010	23.3
215.15031	1.1
228.16039	2.2
292.22873	1.2
297.28046	1.1
339.39685	1.2
425.26761	4.1
443.19507	4.3
443.27655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.2
61.98821	2.0
70.02973	8.9
71.01383	3.1
75.00874	3.2
77.36075	1.7
77.65035	1.4
85.02935	3.0
89.02447	2.6
96.00906	45.6
99.08175	2.3
113.02444	6.7
113.03564	8.4
114.01955	28.4
125.09682	2.9
127.11298	9.0
131.04625	16.0
132.03003	2.1
134.03761	9.9
139.11308	21.2
149.06123	1.8
153.12819	1.8
157.12317	13.0
170.11816	26.2
181.50168	1.4
186.11406	2.6
193.05087	8.1
200.12929	2.8
214.14557	3.8
228.12505	1.8
265.07190	2.5
267.07132	3.2
365.99069	2.0
425.26907	3.0
443.11774	14.9
443.27759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2812
Annotation	Foetidinol
Peak:m/z	Relative Intensity
52.66717	0.5
56.08053	0.5
59.01382	1.4
61.06448	0.5
61.09064	0.5
78.95911	0.7
80.20073	0.7
87.04481	0.9
96.96012	0.7
112.48191	0.7
135.04510	3.8
137.49648	0.6
147.04591	0.9
150.03256	0.7
163.01706	1.2
163.04027	5.6
164.04768	0.8
175.04001	1.3
176.04802	1.1
189.09219	1.0
201.05611	1.1
202.06360	0.8
203.07256	1.3
203.10715	0.9
216.07933	3.7
217.08701	27.4
218.09648	0.8
229.08664	1.0
231.10324	1.2
244.14662	1.0
258.16241	1.3
272.14096	1.6
279.23218	6.8
285.15128	0.8
286.15738	15.4
287.16592	11.9
289.17816	0.8
298.15814	0.8
304.16565	0.7
306.14844	0.8
320.16360	1.5
332.16333	0.8
355.22766	9.6
374.20889	3.3
404.23541	0.7
443.28058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56361	5.3
55.47964	5.9
56.07172	5.6
56.12754	5.1
59.01387	100.0
60.31348	4.9
60.67402	5.2
62.49697	5.7
64.29340	5.4
68.91622	6.7
69.89191	6.1
81.31529	5.7
100.71597	6.1
102.47283	6.8
240.22662	6.8
275.38535	7.5
358.51654	6.9
405.14087	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3171
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
52.72935	0.5
56.22023	0.5
62.01572	0.5
67.08755	0.5
69.03457	14.4
69.65060	0.5
81.97639	0.6
86.64803	0.5
89.11726	0.6
93.15047	0.6
100.93361	9.4
107.05026	5.6
109.06586	100.0
113.02446	12.9
114.33830	0.6
115.92068	20.9
116.92862	1.1
126.14328	0.6
142.94414	2.1
162.54202	0.7
245.71837	0.6
255.23431	4.4
258.43073	0.6
289.25433	29.0
309.92044	0.6
343.30200	3.6
369.31537	0.8
381.31754	4.2
383.29684	0.9
399.32730	15.1
417.33887	4.9
436.49753	0.6
443.31699	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72935	0.5
56.22023	0.5
62.01572	0.5
67.08755	0.5
69.03457	14.4
69.65060	0.5
81.97639	0.6
86.64803	0.5
89.11726	0.6
93.15047	0.6
100.93361	9.4
107.05026	5.6
109.06586	100.0
113.02446	12.9
114.33830	0.6
115.92068	20.9
116.92862	1.1
126.14328	0.6
142.94414	2.1
162.54202	0.7
245.71837	0.6
255.23431	4.4
258.43073	0.6
289.25433	29.0
309.92044	0.6
343.30200	3.6
369.31537	0.8
381.31754	4.2
383.29684	0.9
399.32730	15.1
417.33887	4.9
436.49753	0.6
443.31699	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3174
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
57.03448	1.3
59.01382	1.4
59.76577	0.9
85.19666	1.0
97.06616	1.3
107.05031	19.7
109.06580	25.3
109.73116	1.0
118.35233	0.9
157.69083	1.1
263.23660	1.1
273.22256	6.1
275.23810	4.7
281.55450	1.1
289.25327	8.5
291.27011	15.7
312.17355	1.1
371.29620	6.7
381.31601	8.8
383.29572	4.2
384.30377	14.2
397.84503	1.0
399.32748	53.9
443.31747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3382
Annotation	oscr#34
Peak:m/z	Relative Intensity
53.70074	0.6
56.18490	0.7
59.01377	1.3
71.89905	0.6
80.67024	0.7
100.99255	0.7
100.99899	0.8
109.06590	4.7
159.52806	0.8
240.72769	0.9
247.86592	0.7
307.30112	100.0
311.90103	0.8
325.31201	2.8
351.29077	45.4
369.25323	0.9
369.26410	1.0
369.30115	56.9
443.33881	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39933	1.0
56.89289	1.0
59.01376	1.9
91.03974	1.7
95.11877	1.1
129.09395	1.5
307.30093	100.0
325.31268	1.5
351.29095	45.9
369.30133	58.8
443.33859	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3533
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
60.99310	1.9
67.44487	0.8
83.05000	1.5
86.90362	1.1
105.81161	0.8
107.05008	1.2
109.02954	1.8
109.06592	6.0
131.53870	0.8
159.08427	1.0
205.40880	1.1
343.30206	5.2
345.31628	9.3
357.31433	1.3
359.15359	34.0
399.36401	8.2
425.34192	7.6
427.21631	20.1
443.25000	8.9
443.35376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58676	0.6
51.62810	0.5
76.57916	0.8
78.49998	0.6
93.03434	1.5
101.54914	0.7
109.02911	2.9
121.02900	0.9
128.03516	2.7
144.04445	0.7
155.99461	0.8
159.03194	0.8
160.04036	38.3
172.03975	1.6
175.02673	5.7
176.03487	4.2
188.03522	8.7
235.06271	1.2
236.07106	3.6
236.09302	3.2
237.05501	1.2
246.05505	2.9
262.05118	1.6
263.05914	16.7
264.06662	100.0
265.07425	2.8
276.06631	3.1
277.07394	3.5
278.08133	4.0
281.06906	3.9
282.07309	14.9
282.09940	7.0
387.93628	0.8
427.12634	3.3
444.13013	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
63.93799	1.5
65.63089	1.4
75.30901	1.5
107.13509	1.8
113.95121	1.7
117.12276	1.8
117.53580	1.6
135.04539	14.7
147.37170	1.8
163.00320	6.4
163.04004	29.7
166.99734	1.8
178.02759	9.6
180.06689	16.7
181.05049	7.5
193.05119	8.5
206.04587	14.1
208.06161	4.0
230.14476	1.9
273.40756	1.6
284.76083	2.0
328.11877	8.3
336.05273	2.6
338.41223	1.8
354.05746	2.0
356.11404	10.2
365.87561	1.7
366.09656	2.3
379.47916	1.9
384.10941	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02151	0.5
59.01378	8.0
60.01720	0.7
61.98833	100.0
85.27193	0.5
96.51251	0.7
162.95447	0.6
167.03891	0.6
175.99715	0.6
177.09729	0.6
310.21228	0.8
323.14017	2.9
428.00168	0.6
445.76303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59931	0.5
59.01373	5.4
62.66204	0.7
71.01374	3.2
82.02980	1.1
84.04539	1.4
89.02441	3.0
100.04048	1.1
101.02422	3.3
102.05588	0.8
112.03992	0.9
113.02417	1.4
123.04507	8.5
128.03526	26.4
129.01947	1.0
131.03748	1.5
135.04501	7.2
146.04575	2.9
149.06068	2.8
150.05519	0.9
160.07680	9.0
191.07144	3.1
202.08766	3.8
220.09798	38.5
236.09320	12.2
238.10785	7.1
246.07687	1.3
264.08786	20.3
282.09848	30.0
330.84009	0.8
352.65915	0.7
366.11963	3.7
426.14093	1.5
444.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1513
Annotation	THIOPROPAZATE
Peak:m/z	Relative Intensity
59.01379	6.1
61.00834	1.0
61.17057	1.1
71.01379	1.9
76.50560	1.0
81.63118	1.1
84.04507	1.5
101.02427	2.5
123.04520	8.1
128.03528	19.8
132.47617	1.4
135.04500	4.2
146.04646	1.2
149.06056	1.5
191.07153	1.7
202.08734	1.7
220.09801	37.3
220.11821	1.5
236.09317	12.2
238.10852	8.4
264.08752	16.6
264.13855	1.2
282.09827	24.5
309.16547	1.2
400.15915	1.5
444.15173	100.0
456.26511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1516
Annotation	THIOPROPAZATE
Peak:m/z	Relative Intensity
59.01388	1.6
71.01359	1.5
82.02979	1.5
85.02942	2.0
100.04057	2.2
101.02429	1.3
123.04505	6.2
128.03537	28.2
129.01901	3.9
135.04524	6.1
146.04578	5.6
151.24522	1.1
152.07150	4.9
167.86632	1.0
191.07158	1.5
195.04808	0.9
220.09795	24.2
236.09293	29.1
238.10857	2.3
246.07668	1.3
264.08807	24.6
278.86487	1.0
282.09851	79.8
371.99673	0.9
444.15170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31890	0.7
59.01378	7.1
59.87841	0.8
61.09846	0.8
61.40348	0.8
71.01382	4.2
71.10132	0.9
72.06618	0.8
82.03010	1.0
84.04591	1.3
85.02900	1.0
89.02449	2.0
100.04028	1.4
101.02449	1.8
109.35361	0.9
113.02460	1.1
118.01482	1.9
119.05025	1.1
123.04502	8.4
124.68494	1.1
128.03539	25.4
129.01959	1.9
135.04517	5.8
146.04620	2.2
149.06113	1.3
152.07219	3.9
163.04030	1.7
176.07242	1.2
191.07152	1.2
193.05046	1.6
194.05356	1.9
202.08751	3.8
220.06441	2.7
220.09801	40.8
226.35208	0.9
236.09277	13.6
238.10866	9.1
246.07666	1.6
264.08795	20.2
266.80368	0.9
273.95181	1.0
278.51910	1.0
282.09851	28.6
361.90506	1.0
426.14261	1.4
444.15234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96313	0.7
60.51752	0.5
65.58765	0.6
82.03003	2.9
85.02934	0.8
100.04036	5.0
100.04657	0.7
101.02403	0.8
123.04462	3.1
127.00438	0.7
128.03537	31.1
129.01949	6.0
135.04491	6.4
146.04581	8.1
152.07162	4.4
220.09776	5.1
236.09297	31.6
246.07712	1.6
247.18286	0.8
264.08783	25.5
271.28583	0.7
280.48425	0.7
282.09860	100.0
444.15173	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
80.78035	0.9
82.02972	2.2
98.85835	0.8
100.04073	3.1
123.04535	4.2
128.03540	29.5
129.01915	4.2
135.04486	4.4
146.04625	7.0
152.07152	4.6
168.36469	0.9
168.37915	0.8
176.97670	0.9
220.09796	7.4
236.09279	34.3
246.07719	1.1
264.08801	24.1
282.09854	100.0
359.06235	0.9
444.15170	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88930	1.4
77.23085	1.3
82.02995	1.7
85.02911	2.0
110.94986	1.3
121.39024	1.3
123.04527	1.8
128.03529	32.1
129.01958	5.8
135.04530	6.0
146.04562	7.6
152.07198	2.3
166.45979	1.4
220.09843	3.1
236.09309	36.3
238.08430	1.3
264.08743	26.4
282.09860	100.0
284.03601	1.6
444.15179	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
59.93960	0.5
71.01384	3.5
77.73586	0.5
83.32437	0.5
84.04523	2.1
85.02956	1.1
86.45210	0.6
89.02431	2.3
100.04055	1.2
101.02419	3.1
112.04037	1.3
113.02468	0.9
123.04508	8.0
128.03539	21.7
129.01944	2.8
130.05090	0.5
135.04544	6.8
146.04567	2.6
149.06131	1.1
152.07130	2.7
163.07660	0.7
178.08789	0.6
185.82816	0.5
186.12379	0.5
191.07161	1.2
202.08743	2.2
218.08221	0.5
220.09811	40.0
236.09314	14.9
238.10884	9.2
246.07709	2.3
264.08792	21.3
282.06766	1.0
282.09866	30.3
400.16162	1.3
404.88541	0.7
426.14075	1.3
444.15173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62965	1.3
66.63997	1.4
68.35145	1.6
79.35712	1.3
79.73344	1.9
80.64854	1.2
82.02970	2.3
82.55367	1.7
100.04076	5.4
123.04533	1.5
128.03551	33.6
129.01953	3.0
135.04497	3.4
138.64902	1.8
146.04593	7.1
152.07188	2.7
153.97203	1.8
178.13191	1.6
220.09856	2.2
236.09308	36.8
264.08774	22.2
282.06763	3.0
282.09875	87.6
305.81610	1.8
444.15201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61648	0.6
59.01381	4.6
61.98834	100.0
62.87032	0.7
63.40773	0.7
71.01378	1.2
71.72279	0.8
73.49562	0.7
99.26923	0.7
107.46360	0.7
123.27622	0.8
129.46503	0.8
166.40968	0.7
185.46324	0.7
209.15211	1.0
225.06219	0.7
316.16064	0.8
328.22162	2.8
358.35974	0.7
380.28201	1.0
397.22058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14873	0.6
59.01384	1.3
61.98833	100.0
84.73260	0.6
121.01907	0.7
155.08371	0.6
234.86357	0.7
240.04068	0.7
263.23233	0.7
336.71695	0.7
399.63800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70164	0.6
61.05356	0.8
61.98833	100.0
70.42791	0.6
88.01096	0.6
164.58325	0.7
199.13455	1.2
233.62967	0.8
274.47034	0.8
282.24213	0.9
308.26117	0.9
348.77539	1.0
381.26352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46943	2.6
61.98828	100.0
77.85175	3.2
176.31511	3.8
195.77266	3.3
211.80528	3.7
249.14380	3.4
302.86133	4.1
376.34961	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23804	1.2
61.98833	100.0
65.76533	1.1
81.19516	1.1
83.67836	1.3
95.68071	1.2
108.93762	1.4
175.97353	1.2
240.63492	1.3
444.33398	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10435	0.5
54.12947	0.6
59.01405	0.9
61.98833	100.0
66.26512	0.6
76.47823	0.6
80.23726	0.6
88.68255	0.6
88.68800	0.7
91.97213	0.7
101.56078	0.6
148.58690	0.7
188.37608	0.7
216.54831	0.6
277.18250	1.5
295.19183	4.3
381.26508	4.0
386.54123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.8
61.98833	100.0
74.53509	0.9
79.41507	1.0
81.66209	0.9
101.25783	1.0
109.73283	1.1
126.58746	1.0
143.61440	0.9
159.36020	0.9
204.48766	0.9
295.19064	1.8
295.43634	1.3
403.04630	1.2
446.65048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88371	0.4
61.98835	100.0
65.33195	0.5
65.58095	0.6
65.80832	0.5
83.83926	0.5
86.56484	0.5
106.51919	0.5
128.32237	0.6
161.81903	0.6
162.55885	0.6
181.12578	0.7
199.13478	2.2
381.26398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62793	0.8
58.02978	3.5
59.01377	1.3
61.23303	0.8
79.11910	0.8
80.91686	4.9
81.84274	1.0
84.04548	10.9
84.04991	1.1
85.02929	1.2
100.07674	10.5
102.05606	83.4
116.02635	1.1
117.56162	1.0
122.14285	0.8
142.66879	0.8
159.89476	1.3
166.19011	0.9
221.68359	1.0
225.22267	1.6
259.20712	1.2
316.26474	1.7
344.25781	1.4
359.15466	3.2
360.15604	21.1
362.27072	100.0
428.21799	9.7
444.27499	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61666	1.1
56.87379	1.1
60.29500	1.2
61.98832	100.0
65.18986	1.2
91.84424	1.2
95.75015	1.3
151.54645	1.2
169.56218	1.2
214.46735	1.4
272.20630	1.5
444.35672	1.6
447.17889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74805	0.5
70.11397	0.5
106.64148	0.7
107.25995	0.6
109.81635	0.7
111.00916	0.9
225.05556	29.9
253.05072	60.3
254.05870	17.0
282.05350	74.6
283.06137	11.4
373.93692	0.7
445.11450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1145
Annotation	Sissotrine
Peak:m/z	Relative Intensity
57.61379	0.6
58.08562	0.5
65.43519	0.6
69.62015	0.5
75.83241	0.6
76.53425	0.6
91.50420	0.6
108.01418	1.3
108.02169	40.6
109.02941	53.7
109.17960	0.7
122.78445	0.7
123.04524	1.1
135.00897	0.8
147.04501	4.1
151.03996	1.2
152.01144	56.7
153.01929	50.8
163.03952	0.7
183.08157	0.7
211.07639	3.9
239.07188	5.8
359.99292	0.7
445.11417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
93.03440	17.1
98.58994	1.0
117.03439	9.9
119.05004	5.3
120.20414	1.0
145.02959	6.3
185.54396	1.2
189.01932	69.4
197.06300	1.1
202.02753	4.2
209.06146	1.5
209.22246	1.1
231.03114	1.8
237.05621	6.0
238.06377	24.5
239.07152	100.0
344.40976	1.1
445.11349	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.8
59.11368	0.8
69.04848	0.8
71.01373	4.4
72.40273	0.7
72.99273	1.1
73.02893	0.8
74.41979	0.7
75.00877	12.0
79.91665	0.8
87.28657	0.8
89.02451	7.4
92.83823	0.7
93.03455	19.7
96.99305	2.0
101.02454	1.8
113.02455	8.8
117.01882	1.3
119.05032	13.9
131.05031	3.3
132.05846	1.0
133.02960	3.6
135.01987	1.9
135.03011	52.8
143.05043	16.5
145.02965	1.9
163.04010	19.7
171.04559	0.8
182.55717	1.0
205.12288	1.4
211.07678	7.8
235.07700	1.5
237.09186	5.0
239.10724	1.9
245.20509	1.0
265.08737	33.3
283.09732	1.3
309.07700	8.9
327.08789	100.0
363.26901	0.9
385.18765	1.2
390.68048	1.0
445.11407	19.7
445.16867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	43.4
62.77973	1.4
63.64659	1.5
66.18032	1.3
67.90747	1.6
75.00875	1.6
83.76702	1.7
88.82372	1.5
103.00372	100.0
113.03574	1.8
131.04630	9.3
156.20660	1.7
161.44135	1.9
164.60489	1.5
168.32756	1.6
168.88994	1.7
171.61209	2.0
267.37949	1.7
286.98578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
71.01383	2.5
75.00853	0.7
76.52935	0.6
101.02439	2.4
113.02456	1.3
117.03451	4.9
119.05016	4.8
123.31999	0.6
145.02954	100.0
147.26187	0.7
163.04024	11.1
409.15091	66.4
445.12402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.1
70.19891	0.9
71.01385	4.3
73.02973	1.0
75.00864	1.3
80.05556	0.9
84.15194	0.9
89.02451	1.1
95.84204	1.1
101.02441	2.4
106.32552	1.0
111.40098	1.1
113.02439	1.4
117.03458	4.4
117.52293	1.0
119.05006	5.5
145.02957	100.0
163.03999	12.2
207.77310	1.1
247.90276	1.0
307.65100	1.1
385.18817	2.0
409.15131	69.9
445.11652	6.1
445.20810	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.7
72.99301	81.4
73.02969	2.0
80.79420	1.3
89.02434	3.2
90.98479	1.3
98.37859	1.4
101.02440	2.1
104.48567	1.2
111.96738	1.7
121.49929	1.4
123.04510	23.4
135.04492	30.3
151.04065	2.0
171.68219	1.5
179.03494	79.0
187.11310	2.2
197.04552	100.0
200.87796	1.7
205.12366	2.7
236.07246	1.7
271.81677	1.5
299.84442	1.6
341.08786	6.9
415.13016	2.1
427.12390	5.6
442.52435	1.7
445.13580	91.8
445.19977	3.0
449.63568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.6
59.01379	34.9
64.69913	0.9
69.19093	1.0
71.01373	14.9
72.99300	65.4
73.02943	1.7
74.56852	0.9
83.80393	1.0
85.02943	2.1
86.89024	0.9
89.02434	16.9
90.62238	0.9
95.26944	1.0
101.02444	8.4
113.02460	7.9
114.48066	1.2
119.03480	7.3
123.04508	19.7
128.03479	1.8
131.96434	1.1
133.02888	0.9
135.04523	30.6
161.04520	4.4
179.03503	68.9
179.05460	4.6
184.83687	1.1
187.11217	2.2
197.04565	100.0
220.09764	2.2
221.10088	5.6
237.09592	1.7
265.09091	1.3
283.10196	1.6
290.65771	1.1
357.27225	1.2
367.17422	5.3
427.12308	5.6
445.13632	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57223	1.1
51.91460	1.2
59.01365	7.1
71.01370	2.0
72.99303	64.8
89.02449	2.3
101.02423	1.4
113.02383	1.8
115.03983	1.8
123.04516	15.2
133.02957	2.9
135.04515	42.9
151.03986	2.0
161.01212	2.4
161.02443	50.1
179.03505	83.1
197.04564	98.7
239.07225	2.1
262.67075	1.7
341.08963	2.5
359.09836	28.3
445.13535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
59.01141	0.9
59.01384	15.1
71.01365	4.4
72.99300	65.6
75.08919	1.0
78.41489	1.0
80.24635	1.2
89.02420	4.9
103.03953	1.3
113.02349	1.3
123.04504	23.1
135.04523	25.5
151.03981	2.6
169.61441	1.1
170.68324	1.1
179.03500	74.8
179.05312	2.3
197.04558	100.0
231.98996	1.4
283.15634	1.3
341.08759	7.6
359.10010	2.5
401.10858	5.9
427.12598	6.2
445.13535	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1485
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
52.51185	0.9
54.21439	1.0
56.61236	0.9
57.03449	1.0
59.01371	1.3
60.93116	0.9
72.99295	1.0
73.29007	0.9
77.56413	0.9
86.22192	1.1
87.07649	1.0
92.87175	1.3
97.02952	20.1
99.04554	1.1
101.02396	1.2
101.24986	0.9
137.06070	5.6
139.07646	4.6
145.02930	2.1
187.11304	5.0
231.10181	1.7
245.11647	6.2
253.08376	1.6
271.09549	100.0
283.09692	1.6
301.10632	32.6
342.98502	1.3
409.14862	1.4
445.14880	60.5
445.20712	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1511
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
51.12737	0.4
53.97742	0.4
58.61131	0.6
59.01382	7.9
71.01389	2.9
72.53339	0.5
85.02946	0.9
89.02453	2.9
92.22492	0.7
99.00907	0.7
100.48097	0.7
101.02434	1.3
113.02448	0.9
116.77380	0.5
117.03458	7.0
119.03553	0.6
119.05027	11.8
123.32135	0.5
130.10925	0.6
133.84457	0.5
137.02394	4.2
137.06035	0.6
145.02954	100.0
147.94850	0.5
151.07690	1.0
161.06117	1.1
163.04021	13.4
177.05540	0.8
179.03577	1.2
197.04597	0.6
199.67053	0.5
205.05118	1.3
257.30759	0.5
265.07175	0.7
271.09726	1.3
281.06821	1.1
290.77142	0.5
307.08383	0.7
383.66650	0.6
409.15530	4.0
409.20334	0.8
445.15359	48.4
461.85269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68577	0.9
59.01369	1.5
61.68357	0.7
61.73172	0.7
63.78213	0.7
66.33640	0.8
68.99567	65.6
76.61186	0.9
83.23235	0.8
83.29050	0.8
104.55026	0.9
108.09901	0.8
112.98560	100.0
209.60005	0.9
210.47533	1.0
304.27231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32818	1.0
59.01376	15.9
60.99518	1.1
64.83520	1.1
67.01312	1.2
68.99570	62.9
69.02592	1.2
71.01370	5.3
72.99316	1.5
75.12615	1.3
81.31184	1.2
85.02896	1.4
89.02451	5.6
101.02446	2.5
112.98562	100.0
113.02470	2.1
124.58948	1.2
157.71327	1.3
161.04631	2.0
167.76149	1.4
179.05638	1.7
205.12387	9.4
265.10754	2.5
304.91690	1.3
357.09930	1.4
385.18530	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82281	0.5
59.01393	0.5
60.58307	0.6
68.51031	0.6
72.99303	6.0
85.04928	0.6
97.02939	0.7
110.58378	0.6
119.05013	8.2
135.04527	18.1
136.92184	0.6
163.04013	28.2
163.05338	1.2
168.02509	0.6
181.05078	100.0
193.74020	0.6
195.37814	0.6
200.34355	0.7
209.53798	0.7
240.53484	0.6
248.16534	0.6
279.86377	0.8
283.10553	0.8
445.15784	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.9
71.01385	2.4
73.02932	1.9
74.41950	0.5
75.00873	0.4
85.02959	2.1
85.14904	0.5
89.02451	0.9
93.03525	0.5
101.02457	2.5
113.02444	100.0
125.09731	2.0
136.07677	1.2
145.02968	6.1
156.99654	0.5
163.04051	0.8
181.12433	0.5
187.09851	3.5
207.76245	0.4
210.99702	0.5
211.09811	1.0
215.12920	0.5
223.13591	0.9
225.11249	0.6
229.10950	0.7
243.21309	0.5
254.99174	0.5
271.11957	2.5
297.12415	3.4
327.08810	0.6
331.14044	6.8
355.13034	2.1
409.15207	3.1
445.21350	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.9
71.01385	2.4
73.02932	1.9
74.41950	0.5
75.00873	0.4
85.02959	2.1
85.14904	0.5
89.02451	0.9
93.03525	0.5
101.02457	2.5
113.02444	100.0
125.09731	2.0
136.07677	1.2
145.02968	6.1
156.99654	0.5
163.04051	0.8
181.12433	0.5
187.09851	3.5
207.76245	0.4
210.99702	0.5
211.09811	1.0
215.12920	0.5
223.13591	0.9
225.11249	0.6
229.10950	0.7
243.21309	0.5
254.99174	0.5
271.11957	2.5
297.12415	3.4
327.08810	0.6
331.14044	6.8
355.13034	2.1
409.15207	3.1
445.21350	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1793
Annotation	Naphthomevalin
Peak:m/z	Relative Intensity
53.15206	1.0
57.75387	0.9
58.20403	0.9
82.67209	1.1
112.93689	1.0
123.74819	1.0
176.01140	8.7
202.99884	99.8
204.00652	5.9
217.01485	7.1
229.01439	43.8
229.05061	4.4
244.07336	7.2
245.08234	5.7
254.05858	1.4
255.06644	1.7
257.04526	4.1
272.06934	91.9
273.07687	4.7
340.13150	21.2
409.20288	24.0
445.17938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.185
Annotation	(+)-Diayangambin
Peak:m/z	Relative Intensity
51.03308	0.9
59.01387	10.7
67.28038	1.0
71.01379	10.2
73.02948	6.4
75.00874	1.0
75.89142	1.0
85.02940	5.6
87.00873	1.4
89.02435	2.4
99.00874	2.5
101.02443	18.3
113.02440	10.6
159.02982	1.5
161.04581	7.7
191.05638	6.8
277.16565	13.0
300.34912	1.2
322.73605	1.2
409.20813	100.0
412.36209	1.2
445.18411	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.185
Annotation	(+)-Diayangambin
Peak:m/z	Relative Intensity
56.58010	1.4
57.38052	1.7
59.01369	12.4
63.32238	1.4
71.01385	9.4
73.02940	3.1
77.27470	1.5
77.68409	1.5
85.02955	2.8
89.02448	2.9
93.81195	1.7
95.15907	1.8
99.00888	3.2
101.02442	20.2
113.02452	8.7
118.21089	1.5
148.01149	1.6
161.04541	10.5
179.21449	1.7
191.05568	2.4
209.89304	2.2
277.16614	18.3
329.49902	1.8
353.91116	2.0
409.20862	100.0
416.12839	2.1
445.18570	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.45266	0.6
64.16197	0.6
78.92713	0.6
96.65211	0.7
137.32306	0.7
173.40030	0.7
230.42987	0.7
343.97556	0.7
356.81631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12600	1.7
58.67614	1.8
59.01382	57.1
62.63905	1.8
63.31091	2.0
71.01386	24.1
72.99307	27.6
73.02940	4.9
85.02922	7.3
89.02444	3.7
96.62769	2.6
101.02431	16.2
113.02435	14.9
113.94827	2.1
114.10635	1.8
123.04507	11.9
126.31922	2.1
127.95638	2.2
128.03508	8.9
135.04517	14.1
151.03929	2.6
152.93030	2.1
153.09222	10.6
159.03035	2.8
161.04549	54.1
179.03500	34.2
183.06517	3.2
197.04553	47.7
205.12338	100.0
223.13396	7.6
238.81148	2.1
266.42825	2.2
282.09906	8.5
283.10217	19.6
359.09937	10.9
367.17734	18.4
382.01987	2.2
445.14386	36.8
445.21082	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03443	0.8
59.01383	47.5
60.36689	0.6
66.21756	0.6
68.06989	0.6
68.48096	0.7
71.01379	21.0
72.99308	5.4
73.02943	7.3
77.11332	0.6
77.69655	0.7
83.01404	1.4
85.02956	10.7
88.18672	0.7
89.02455	2.7
95.01361	1.0
97.02903	0.7
99.00883	2.7
101.02426	12.2
107.32015	0.6
113.02419	10.8
115.00359	0.8
115.04032	1.0
119.03400	0.7
121.60095	0.7
123.04543	1.2
135.04562	1.4
141.43990	0.7
142.74609	0.7
150.55928	0.7
153.09196	7.3
159.02972	3.2
161.04559	42.0
165.09222	0.8
168.93073	0.9
179.03503	3.5
191.92197	0.7
197.04683	5.1
205.12354	100.0
223.13232	0.9
226.23480	0.8
229.01588	0.8
298.25681	0.7
367.17548	2.8
401.11041	3.2
445.20862	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.62687	0.8
71.01383	17.9
71.02428	0.7
73.02943	0.9
83.01402	1.1
85.02950	3.7
89.02438	18.2
95.01387	1.1
97.96323	0.8
99.00883	4.4
101.02434	9.3
111.51699	1.0
113.02461	11.6
118.21470	0.8
119.03478	7.9
122.36160	0.9
131.03532	1.7
149.04605	0.9
153.09247	0.8
161.04527	9.0
179.05653	3.9
205.12357	28.3
347.04306	0.9
361.62488	1.0
367.17624	1.6
375.40808	0.8
436.79999	0.9
445.20920	7.8
461.19150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Dendroside G
Peak:m/z	Relative Intensity
57.03433	2.9
59.01383	100.0
71.01382	15.2
73.13446	3.0
82.73482	2.7
88.10822	3.1
89.02451	41.1
95.68095	3.0
101.02455	13.3
107.93527	3.1
113.02459	8.2
115.63117	3.1
119.03514	14.2
138.14064	3.1
144.83784	3.8
153.09134	4.2
161.04582	4.9
179.05664	30.3
220.01979	3.6
223.48320	3.7
276.82385	3.7
278.96191	3.4
353.17432	3.8
385.18582	14.6
390.66879	3.6
445.20978	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Dendroside G
Peak:m/z	Relative Intensity
56.46344	1.2
58.39677	1.2
59.01381	100.0
60.87885	1.2
61.04953	1.1
65.51404	1.2
71.01367	15.8
85.02922	1.3
89.02444	21.6
101.02440	16.6
106.59258	1.5
113.02443	6.8
116.94711	1.4
119.03479	17.5
126.72090	1.4
149.04498	1.5
161.04553	2.6
163.11258	1.5
179.05664	13.3
223.13361	12.7
225.56328	1.6
235.13434	2.8
242.74362	1.3
247.13347	1.5
265.14417	7.3
343.03458	1.5
445.21045	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
52.75911	0.5
55.01864	0.8
57.03437	0.7
59.01381	14.0
71.01381	25.9
73.02941	13.4
75.00877	1.1
83.01399	3.5
85.02941	11.7
87.00858	0.7
89.02428	10.7
95.01373	1.2
96.96014	0.6
97.02974	0.7
99.00881	5.0
100.58170	0.6
101.02442	27.7
113.02444	16.3
113.76646	0.7
119.03525	1.1
125.02436	2.6
128.68874	0.6
131.03467	1.5
143.03526	1.3
144.07770	1.0
149.04559	1.2
151.58717	0.5
159.02969	2.6
161.04546	11.2
313.16660	8.9
401.45071	0.6
421.91116	0.7
445.20868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2088
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.67052	0.5
59.01389	7.2
60.25753	0.5
65.56079	0.4
66.07438	0.5
66.13739	0.4
71.01379	6.8
73.02934	3.6
75.00893	0.7
83.05046	0.7
85.02930	3.1
89.02447	3.7
99.00902	0.6
101.02442	5.6
113.02448	4.7
113.03104	0.5
119.03480	0.6
135.08160	2.3
137.09726	23.8
155.10783	92.8
161.04530	1.2
161.64185	0.6
171.10388	0.6
181.08701	4.0
199.09773	12.9
211.13556	0.7
219.77261	0.7
241.10873	0.7
305.33575	0.5
345.93652	0.6
445.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2368
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
50.41179	1.1
52.06634	0.9
59.01382	5.1
78.95905	12.6
88.82870	1.0
97.02319	1.0
110.98527	13.4
140.08070	1.0
167.01117	17.0
185.02200	5.2
227.50534	1.1
277.21756	100.0
397.05005	1.2
445.23676	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25026	0.5
52.36517	0.4
54.31969	0.5
56.83710	0.6
57.06857	0.5
59.01397	1.3
60.00688	0.5
60.31077	0.6
63.42593	0.6
67.65440	0.5
71.01384	12.0
73.02939	0.6
74.52502	0.5
79.14183	0.5
81.78250	0.6
86.25333	0.6
95.42741	0.6
97.72483	0.5
99.08149	3.1
115.00362	8.4
116.13970	0.6
127.11282	2.5
133.01375	1.3
139.11186	0.7
167.14502	1.1
171.10280	3.5
183.13901	5.3
193.12334	2.5
209.11815	1.2
211.13422	45.1
229.14471	28.3
293.21381	0.6
309.54642	0.8
311.05594	1.4
326.07944	3.4
329.23376	100.0
340.09570	2.6
341.10428	5.9
355.11917	3.1
404.58124	0.6
445.15109	13.1
445.24417	9.6
461.81958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91653	0.5
56.72229	0.4
57.03448	0.6
59.01366	1.1
60.33718	0.6
62.17265	0.6
66.88385	0.5
70.70636	0.5
71.01376	17.5
71.01733	1.0
72.99304	5.0
94.18600	0.5
99.08148	4.3
109.14669	0.6
115.00369	6.3
121.02959	3.7
127.11298	2.9
133.01427	0.6
134.92421	0.5
139.11317	8.1
154.74519	0.6
157.12355	0.6
167.10741	0.7
167.14479	0.6
171.10275	26.5
171.33490	0.6
177.81828	0.6
183.13892	2.5
193.12370	1.3
201.11218	0.7
209.11670	1.0
211.13406	29.6
229.14453	18.9
293.21136	2.9
311.22217	2.5
329.23370	100.0
427.23392	1.4
445.11075	0.9
445.24298	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	1.2
63.24317	0.9
65.87814	0.7
68.63919	0.8
71.35154	1.0
72.99306	3.9
85.91856	0.8
89.02415	0.8
91.03976	6.3
96.96008	6.1
113.09274	0.7
123.04508	1.0
171.10291	2.0
179.03497	1.8
197.04585	3.9
211.13455	3.6
219.12466	1.0
293.21310	3.6
311.22324	28.6
334.97314	1.0
385.25977	1.3
440.28430	1.0
445.18878	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33034	0.7
51.82499	0.6
53.99962	0.7
54.37657	0.8
55.52937	0.7
59.01383	100.0
61.98837	5.4
68.52339	0.7
80.32316	0.8
80.85622	0.8
91.03992	1.3
102.90952	0.9
145.02975	1.8
174.51898	1.0
211.13368	2.1
293.21140	1.5
311.22330	23.0
312.71271	0.9
405.62158	1.4
445.21988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	4.0
59.01384	100.0
71.92912	2.3
87.23614	2.1
91.10638	2.4
212.35815	2.4
340.80975	2.4
409.20645	4.0
445.17609	3.7
445.25955	4.1
445.33453	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2964
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
59.50350	0.8
69.03448	1.9
72.43234	0.8
86.37736	0.8
94.11695	1.0
107.05022	1.7
109.06588	52.8
289.25433	1.8
311.06644	0.9
327.26984	3.4
329.28555	42.9
357.31668	21.1
361.22324	1.0
383.29639	15.1
401.30676	40.9
407.29303	2.1
425.30835	1.6
427.32059	1.5
445.29620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2964
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
59.05994	1.8
71.01379	3.7
79.67854	2.1
82.53717	2.2
85.64264	2.3
85.99863	1.9
94.04265	2.1
95.05028	11.9
96.65291	2.1
109.98975	2.0
124.01373	2.1
187.07356	2.2
341.28467	13.3
348.35910	2.4
355.30106	3.8
357.31665	100.0
398.58533	2.4
401.30707	19.6
406.57135	2.6
445.29565	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2962
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
50.14734	0.8
53.17916	0.7
54.19733	0.8
56.27969	0.9
69.76131	0.8
94.04208	1.7
95.05019	9.5
133.37639	1.1
142.60800	0.9
178.33972	1.0
205.17999	1.1
244.68349	0.9
283.26254	1.1
341.28424	8.5
355.30206	5.4
357.31680	100.0
401.30612	17.7
427.31900	1.7
445.29581	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3327
Annotation	24-epi-Secasterone
Peak:m/z	Relative Intensity
51.12804	0.2
51.71382	0.3
60.07265	0.3
62.84865	0.3
71.73901	0.2
83.29768	0.2
86.77119	0.3
95.93427	0.3
99.40780	0.3
132.51430	0.3
133.02945	4.0
134.03743	6.4
135.04520	7.9
137.02440	3.7
139.04002	1.1
155.24477	0.3
161.02440	16.5
178.02722	1.4
179.03506	7.5
193.03734	0.3
285.01102	0.4
327.65570	0.3
329.46225	0.4
355.72571	0.3
445.33289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3331
Annotation	24-epi-Secasterone
Peak:m/z	Relative Intensity
51.24993	1.7
61.66426	1.7
63.59596	1.8
81.19787	1.8
89.41895	1.6
194.00841	2.1
358.31787	2.0
401.34277	100.0
409.91159	2.1
445.33301	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52790	0.4
59.01384	0.4
64.22487	0.5
74.64552	0.4
89.07990	0.4
112.33145	0.5
123.29813	0.5
148.22386	0.5
155.14407	4.9
156.39058	0.4
169.15961	0.5
183.13875	1.9
185.15453	4.2
195.17546	0.9
199.13351	3.4
200.13892	0.5
211.13467	0.6
223.17027	3.8
229.14444	11.7
239.16498	0.9
241.14569	0.9
241.18031	4.2
243.16112	0.6
255.02881	0.5
257.17624	0.5
259.19080	1.1
269.17578	0.6
297.24423	1.0
317.19684	0.7
391.31931	0.7
409.33185	0.8
425.32751	2.8
427.34265	9.9
443.33841	12.3
445.35388	100.0
458.25729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.19044	4.8
66.45631	4.7
71.09126	4.9
92.01175	4.7
102.42120	5.3
108.71890	5.3
125.34031	5.0
143.18063	5.7
237.48100	6.0
327.87720	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81479	1.0
54.59301	0.9
62.27217	0.9
67.89729	1.2
71.01372	10.1
72.99281	1.2
76.95149	1.1
88.02345	1.3
89.02438	2.3
92.23042	1.3
102.54555	1.0
114.05604	1.7
115.00359	44.0
116.07167	1.4
117.02327	1.0
133.01428	100.0
156.87860	1.1
167.04614	1.5
182.05344	1.6
220.82217	1.0
240.13483	2.5
284.12619	2.4
293.79471	0.9
356.14706	1.3
451.15179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70964	0.5
58.04105	1.6
59.01383	0.9
77.99032	0.7
78.55432	0.7
83.02526	4.4
89.02444	0.7
92.05056	4.2
92.23878	0.7
94.06839	0.7
102.05602	1.6
109.04050	5.6
126.06729	28.3
128.03542	17.3
132.54466	0.7
135.05663	2.9
136.03973	1.1
146.04611	4.8
147.05644	9.3
148.04045	11.9
162.09210	1.0
177.10329	6.1
181.46768	0.7
189.10339	9.7
200.51787	0.7
215.08226	3.2
221.09360	1.5
231.12408	1.5
232.75189	0.8
233.09363	14.9
275.11511	37.1
300.11090	3.0
317.13657	1.3
360.16760	17.7
386.14877	3.6
404.15762	33.8
429.15277	2.6
446.18027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92705	0.7
55.47414	0.7
58.04087	1.1
64.23633	0.9
69.39017	0.9
83.02502	4.4
92.05049	3.7
97.78638	0.8
102.05608	1.6
109.04051	5.5
114.98526	0.8
126.06718	31.2
128.03531	19.8
136.03972	1.1
138.58119	1.1
146.04575	4.3
147.05623	8.4
148.04047	13.5
177.10330	5.8
189.10399	8.3
215.08321	1.2
221.09267	4.7
233.09326	11.4
239.01759	0.9
271.06039	0.9
275.11548	37.0
300.11093	2.2
317.13736	3.2
343.14145	0.9
360.16800	16.6
386.14331	1.6
390.98468	1.0
404.15787	34.3
429.15359	4.2
446.17978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29050	0.7
51.66372	0.6
59.01384	4.3
64.58646	0.8
84.95099	0.8
88.45399	0.7
106.04259	3.6
107.05032	8.7
107.90674	0.7
111.81396	0.7
130.27211	0.7
161.04779	1.2
176.07153	17.8
178.08780	1.5
194.61382	0.7
271.54025	0.8
284.12958	100.0
423.37976	0.8
446.13217	1.8
446.18362	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80815	0.6
80.65319	0.6
81.41894	0.6
90.48976	0.7
106.04245	1.8
107.05025	9.5
153.24692	0.8
161.04852	1.6
176.07169	19.0
178.08772	1.7
284.12961	100.0
446.18335	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.98841	14.4
63.28794	1.0
71.01382	21.8
72.01723	2.3
72.99305	5.5
78.74875	1.0
83.09849	0.9
85.02940	1.2
99.08155	1.8
100.56857	1.1
115.00354	8.6
121.02966	1.7
133.01469	1.1
139.11331	8.5
140.11646	1.7
157.12343	1.7
171.10286	21.9
172.10611	18.2
182.23439	1.1
204.13078	1.2
211.13474	11.8
212.13765	13.0
229.14491	6.4
230.14766	9.9
293.81918	1.2
302.21280	1.9
312.22726	4.1
329.23404	21.6
330.23721	100.0
428.23895	2.2
446.24762	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	1.6
59.01376	7.0
61.98824	3.7
64.95634	1.5
66.46295	1.6
73.02945	29.8
75.66148	1.6
82.06613	8.4
84.04576	2.7
85.02901	2.9
94.06629	2.4
98.35258	1.5
126.05717	1.7
128.53653	1.6
128.54630	2.4
148.06177	2.1
152.61710	1.5
164.71420	1.8
223.20691	6.9
235.20639	3.3
253.21768	16.8
428.29889	8.0
446.25137	3.7
446.31287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23772	0.8
58.38200	0.8
68.20453	1.0
123.86286	1.1
134.39563	1.0
162.06871	1.9
163.07655	27.0
182.95515	1.1
416.55890	1.1
446.37701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0725
Annotation	XL147
Peak:m/z	Relative Intensity
57.88545	0.4
61.90054	0.4
78.95850	0.6
92.65276	0.5
106.93069	0.5
136.22470	0.6
152.99571	1.0
166.57167	0.6
258.65891	0.5
332.87628	0.5
347.09537	1.0
351.08661	2.5
362.04666	0.7
363.05112	3.1
364.05869	2.1
375.08893	1.8
377.06189	0.5
378.07419	3.0
378.11789	0.6
379.08231	7.9
387.04807	0.6
388.05685	1.0
403.08313	11.3
404.05563	1.2
405.06140	17.5
419.07993	0.6
431.04004	0.6
447.07272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
55.10799	0.6
59.01384	19.4
67.05643	0.6
75.00877	5.2
78.29449	0.6
87.00862	0.7
89.02447	1.5
90.42484	0.6
97.02959	1.5
101.02438	2.7
113.02393	1.0
115.04000	0.7
116.01099	0.7
151.00305	1.0
166.32840	0.7
227.03526	26.5
229.05054	1.1
245.33269	0.8
255.03021	62.0
256.03790	9.7
257.04721	0.8
263.65344	0.6
274.72018	0.8
284.03290	98.4
285.04083	18.3
303.22699	0.7
387.20139	4.2
447.09323	100.0
456.80399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
71.01383	5.3
73.02936	3.0
74.96982	0.5
82.98005	0.5
85.02931	2.7
89.02437	1.2
97.02924	1.0
99.00882	2.0
101.02439	3.3
108.02155	16.1
109.02940	15.7
113.02449	4.1
115.04000	9.3
118.64241	0.5
123.04498	0.7
131.04555	0.6
134.93365	0.5
151.03999	2.6
152.01144	100.0
153.01901	4.8
161.04584	2.7
163.03993	3.7
179.03540	1.2
278.70456	0.6
341.96375	0.6
447.11459	85.6
460.54865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1281
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
58.25149	2.0
59.01390	18.3
59.13374	2.2
61.76256	2.3
71.01384	14.8
89.02441	25.2
91.24482	2.3
101.02443	12.9
113.02437	6.3
118.31809	2.5
119.03526	6.4
125.03526	4.6
141.30066	2.3
151.06104	12.5
167.74663	2.4
179.05698	2.7
191.05690	21.3
208.39122	2.4
255.06178	4.6
313.11438	84.1
447.12665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14346	0.5
53.91008	0.6
59.01384	7.6
61.17171	0.5
64.11577	0.5
69.05784	0.5
70.71807	0.5
71.01391	0.9
71.84404	0.5
79.76803	0.6
82.01222	0.6
85.02946	0.8
91.66431	0.6
97.91374	0.5
101.02425	0.8
111.37522	0.6
115.04002	0.8
119.05049	1.4
135.04597	0.8
140.06975	0.6
142.78372	0.5
149.02422	10.8
152.01154	5.2
163.04010	3.0
164.04784	24.8
169.05061	1.1
179.07150	7.7
187.09691	0.8
193.01416	7.5
197.07579	1.0
207.03003	1.1
208.03781	65.7
223.06122	100.0
237.07794	0.7
387.20309	3.9
388.68277	0.7
410.53259	0.7
447.13016	3.4
447.21906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1304
Annotation	Poriolin
Peak:m/z	Relative Intensity
53.96161	0.8
54.28161	0.7
59.01377	5.5
59.85828	0.9
65.75001	0.9
73.02964	1.3
75.00867	15.5
75.68743	0.8
75.94283	0.9
99.00864	1.0
107.38422	1.0
110.74577	1.0
115.04002	1.6
121.02936	1.4
138.03224	1.0
139.03995	5.6
141.86800	0.9
142.24165	0.9
149.02376	1.6
151.04047	1.2
165.01947	7.6
179.03516	50.3
197.09779	1.6
200.42937	1.0
203.03543	4.6
211.07687	2.0
213.09157	1.3
223.07666	1.5
229.08723	1.2
229.96301	1.0
239.07210	8.3
241.08722	2.2
257.08173	6.8
267.06631	13.2
285.07718	100.0
299.09076	1.3
301.96405	1.0
327.08871	1.5
447.13013	59.5
447.22324	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.13
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
59.01384	10.6
66.45889	1.1
71.01377	2.4
78.22394	1.5
89.02415	2.7
90.93345	1.4
92.22530	1.5
95.07690	1.6
99.00844	2.1
100.82346	1.4
111.00886	1.8
139.03989	8.8
149.89345	1.5
152.99623	1.7
211.07611	2.4
223.07690	1.9
241.08629	2.0
257.08215	3.3
267.06638	100.0
285.07675	8.7
447.12927	81.9
447.22012	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78214	0.2
78.95902	18.8
96.96941	1.6
101.16680	0.3
149.00082	6.4
152.99583	20.7
158.92511	0.6
179.01169	1.7
247.79521	0.3
295.30292	0.4
380.37448	0.3
417.07062	0.3
417.12689	1.4
431.10681	0.3
447.13483	100.0
447.21286	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37156	0.4
54.76606	0.4
59.01379	0.7
67.27345	0.3
72.99320	2.4
75.00856	3.1
75.19993	0.4
105.01935	100.0
122.34819	0.4
161.83084	0.4
173.35904	0.4
179.97603	0.4
182.24568	0.4
299.72455	0.4
337.60358	0.4
345.59009	0.4
375.27637	0.4
447.13681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66257	0.3
59.01380	0.9
61.27153	0.4
71.18722	0.4
72.99312	1.9
75.00868	2.6
105.01933	100.0
224.32788	0.4
261.98059	0.4
306.04373	0.4
447.13702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1451
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
59.01374	1.1
68.98933	0.7
72.06679	0.7
73.02934	1.0
78.95897	1.4
81.85181	0.8
82.08696	0.7
113.02403	0.8
114.58927	0.9
116.92878	1.0
124.01614	1.3
137.53400	0.7
145.06557	3.2
152.01129	3.9
152.99573	9.6
157.06549	7.1
161.02510	0.9
171.04497	4.0
171.30042	0.8
173.06082	6.2
180.00664	1.3
199.04010	1.4
199.07697	7.0
215.07167	1.3
225.05531	1.0
226.02676	3.7
226.06229	1.0
227.03552	6.9
241.05031	6.0
243.06619	8.7
245.84703	0.8
314.09552	0.9
331.09744	22.2
353.11923	0.9
355.09723	6.4
356.10535	3.9
373.10837	0.9
397.10745	1.3
405.13379	1.5
429.13541	3.2
447.14551	100.0
447.21112	3.6
452.97556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
52.81070	0.6
55.97786	0.7
59.01380	12.3
62.25803	0.8
71.01381	10.7
73.02941	4.6
74.55460	0.9
79.48048	0.8
81.25459	0.9
85.02934	1.6
89.02445	21.1
90.59457	0.7
95.01377	1.2
99.00874	47.3
101.02446	7.3
111.07835	0.7
113.02437	15.2
119.03481	4.3
131.03484	5.5
135.04532	21.3
149.04512	2.8
153.05559	1.4
161.04529	4.4
191.05673	8.7
194.86211	0.8
287.50189	1.0
315.10904	6.6
376.36292	0.9
447.15115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15547	1.3
59.01379	100.0
71.01384	7.5
73.02935	2.8
89.02409	2.6
91.75338	1.6
97.02942	37.7
99.64441	1.4
101.02396	2.8
104.30244	1.4
121.02908	3.5
149.37138	1.6
161.04454	1.6
164.04745	1.8
175.24315	1.6
176.04910	1.7
191.07225	1.6
198.64078	1.9
227.03517	2.1
255.02962	2.2
284.03348	10.4
314.08017	1.6
343.14001	8.1
387.20209	12.7
447.12799	15.1
447.22443	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43343	0.6
56.52307	0.7
57.23016	0.7
59.01375	1.2
63.05103	0.7
75.03765	0.7
75.74396	0.8
79.95735	80.9
80.96506	12.1
83.75463	0.9
84.03201	0.8
96.95964	1.0
152.99588	5.7
171.62567	0.9
191.66194	1.0
238.61819	0.9
331.22720	5.5
383.18680	1.2
393.22818	0.9
402.40079	0.9
411.18442	2.0
447.16196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1614
Annotation	Tecomaquinone
Peak:m/z	Relative Intensity
50.44987	0.9
58.71067	0.8
59.01373	1.1
60.61037	0.7
61.98819	4.4
63.96434	0.8
78.95888	1.7
79.95734	71.2
80.96516	11.8
91.67475	0.8
96.95974	1.1
101.15134	0.8
103.55717	0.8
129.78157	0.8
135.12518	0.8
152.99535	6.8
162.83873	3.8
197.30446	0.9
269.50726	0.9
283.09824	1.2
331.22781	4.7
383.18823	1.3
384.21878	7.7
411.18533	1.6
412.27420	0.9
447.16171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24013	1.9
59.01382	32.2
69.03445	9.1
71.01382	26.8
72.99290	4.7
73.02924	3.5
75.00882	2.0
79.01318	2.1
84.39973	2.0
87.00869	67.8
89.02444	4.7
92.10033	2.4
101.02441	10.6
104.86652	1.9
113.02466	5.1
119.03506	2.7
120.99617	2.2
151.00362	3.0
166.02663	4.9
181.05080	2.8
185.00900	3.8
192.04211	2.5
269.08231	3.7
277.68887	2.4
284.03235	2.7
285.04138	8.3
298.12088	3.5
299.09268	15.1
299.24655	2.1
311.09409	18.9
314.11633	63.8
326.11636	38.6
329.13977	100.0
340.13220	8.7
341.14008	38.5
355.15454	3.2
383.26126	2.2
387.20383	4.5
447.09473	3.8
447.16891	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1667
Annotation	Dichotosin
Peak:m/z	Relative Intensity
58.73088	0.6
59.01377	1.2
60.84600	0.6
71.01375	0.7
74.76064	0.6
78.95898	0.9
84.12724	0.6
85.06589	1.4
87.52203	0.6
111.04519	4.3
149.06065	9.7
153.05576	100.0
159.29497	0.7
166.73152	0.6
167.07152	1.1
168.00885	0.6
177.05539	5.1
179.03497	0.9
179.56749	0.7
180.04326	1.3
200.40005	0.8
216.95319	0.7
241.12381	3.2
267.10324	2.9
285.11368	46.5
297.09943	6.4
315.10986	2.6
331.24051	2.9
367.04703	0.7
447.16696	22.8
447.25647	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Prenylcandidusin B
Peak:m/z	Relative Intensity
51.41495	0.4
59.01409	0.5
61.98835	0.6
64.78223	0.4
67.61270	0.4
78.95902	43.9
96.96965	4.6
140.18590	0.4
143.63666	0.5
150.98068	2.0
152.99585	100.0
153.07851	0.6
171.00691	2.7
172.25291	0.5
175.84990	0.5
249.18564	0.7
293.17508	1.0
295.69083	0.5
304.34576	0.5
371.81290	0.5
430.94754	0.5
447.17542	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12120	0.4
58.30795	0.4
59.01403	0.7
59.45214	0.4
60.81270	0.4
67.58530	0.4
78.95900	41.8
90.92132	0.5
96.96940	5.0
121.66928	0.4
150.97986	2.2
151.38002	0.4
152.99582	100.0
171.00589	3.3
216.18980	0.5
225.64687	0.5
233.65767	0.4
275.16324	0.5
293.17459	2.0
304.59991	0.4
314.31189	0.5
405.67847	0.5
447.17374	29.1
460.55246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1794
Annotation	Prenylcandidusin B
Peak:m/z	Relative Intensity
52.12120	0.4
58.30795	0.4
59.01403	0.7
59.45214	0.4
60.81270	0.4
67.58530	0.4
78.95900	41.8
90.92132	0.5
96.96940	5.0
121.66928	0.4
150.97986	2.2
151.38002	0.4
152.99582	100.0
171.00589	3.3
216.18980	0.5
225.64687	0.5
233.65767	0.4
275.16324	0.5
293.17459	2.0
304.59991	0.4
314.31189	0.5
405.67847	0.5
447.17374	29.1
460.55246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53998	0.5
55.23410	0.5
56.81036	0.5
59.01381	8.0
68.14743	0.6
71.01386	3.0
74.37973	0.6
74.99090	2.6
89.02437	1.1
97.06588	1.1
98.31856	0.5
101.02432	3.4
101.39779	0.5
113.02435	0.7
125.09719	50.7
136.99124	2.3
161.04514	0.6
167.10838	0.8
169.08702	2.2
187.09776	100.0
201.11388	2.1
211.09752	3.8
214.59723	0.6
223.13524	0.7
229.10727	0.8
285.13477	31.5
327.14600	2.9
329.05753	0.6
353.45270	0.6
357.15204	0.8
387.16501	6.8
447.17697	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81438	0.8
58.02957	0.9
59.01370	5.4
63.16008	1.0
64.58920	0.9
65.31536	0.9
72.97461	0.8
87.05625	2.2
98.42288	0.9
100.00380	1.5
100.04060	1.0
100.30254	1.0
110.02448	1.8
114.98560	1.3
129.06712	13.6
141.06741	1.2
144.07793	5.5
153.10410	2.2
164.03915	6.8
167.11871	4.3
168.07758	4.0
169.06149	2.2
169.13493	9.4
185.34570	1.0
186.08861	11.7
195.11418	1.7
226.15605	9.1
254.15079	7.9
274.94351	1.0
281.16080	1.4
297.19217	9.2
299.17270	3.8
300.15741	4.4
315.01724	1.1
318.36163	1.0
325.18784	2.0
339.20441	8.8
350.24115	1.0
368.57675	1.1
383.19412	2.2
433.81244	1.0
447.19235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1923
Annotation	Obliquine
Peak:m/z	Relative Intensity
50.81438	0.8
58.02957	0.9
59.01370	5.4
63.16008	1.0
64.58920	0.9
65.31536	0.9
72.97461	0.8
87.05625	2.2
98.42288	0.9
100.00380	1.5
100.04060	1.0
100.30254	1.0
110.02448	1.8
114.98560	1.3
129.06712	13.6
141.06741	1.2
144.07793	5.5
153.10410	2.2
164.03915	6.8
167.11871	4.3
168.07758	4.0
169.06149	2.2
169.13493	9.4
185.34570	1.0
186.08861	11.7
195.11418	1.7
226.15605	9.1
254.15079	7.9
274.94351	1.0
281.16080	1.4
297.19217	9.2
299.17270	3.8
300.15741	4.4
315.01724	1.1
318.36163	1.0
325.18784	2.0
339.20441	8.8
350.24115	1.0
368.57675	1.1
383.19412	2.2
433.81244	1.0
447.19235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82647	0.9
59.01381	9.9
61.13063	0.9
65.64597	1.1
87.05638	2.7
100.00401	1.2
108.55122	1.3
129.06705	11.0
141.06740	1.4
144.07713	1.8
150.09259	1.4
164.03882	4.8
167.11906	2.6
168.07819	1.5
169.13480	6.1
172.54887	1.3
186.08853	10.1
193.34126	1.1
195.11459	1.5
199.09033	1.4
226.15639	7.6
231.86835	1.4
254.15112	7.6
297.19357	6.7
300.15820	5.3
325.18982	2.1
339.20435	5.5
387.20377	6.0
432.17111	1.5
447.19287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1924
Annotation	Obliquine
Peak:m/z	Relative Intensity
59.01395	0.8
59.03664	0.6
60.50582	0.6
72.00908	1.2
87.05627	4.2
100.00421	1.4
100.04067	1.0
101.87403	0.7
108.43478	0.8
110.02513	1.1
112.04048	0.8
113.07182	1.0
126.12289	0.7
129.06693	10.8
141.06685	1.1
144.07823	1.9
164.03874	4.5
167.11873	4.2
168.07732	2.7
169.06219	1.3
169.09860	1.4
169.13457	6.5
186.08891	10.7
195.11406	1.5
197.12999	1.0
212.13980	1.4
222.59091	0.8
226.15656	9.0
238.15550	1.0
254.15103	5.5
281.16357	1.2
297.19424	8.8
299.17310	3.4
300.15744	3.9
325.18896	1.6
339.20410	6.4
383.19763	1.8
443.34717	0.8
447.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49506	1.0
55.46864	0.9
58.02987	1.1
59.01384	17.3
64.41621	0.9
71.01325	0.9
79.83805	0.8
87.05640	3.9
89.02424	1.0
101.02425	1.1
110.02499	1.4
113.02426	1.1
113.07206	1.2
114.98569	1.5
127.05156	1.2
129.06712	14.1
141.06616	1.5
144.07784	4.8
145.10713	1.1
150.09311	1.5
154.08801	1.0
155.08228	1.6
164.03879	6.3
167.11899	4.8
168.07787	4.6
169.06163	1.8
169.09914	1.3
169.13451	10.1
186.08841	13.3
195.11348	1.3
197.13115	1.2
212.14174	2.4
213.12479	1.5
213.45056	1.1
226.15633	11.4
254.15184	11.4
257.33234	1.1
281.16232	2.1
295.69983	1.0
297.19330	8.0
299.17282	4.4
300.15665	4.2
325.18909	3.9
339.20340	7.9
370.04767	1.1
383.19485	1.9
387.20325	4.0
432.16678	2.1
447.19250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95254	0.8
57.93319	0.7
59.01108	1.3
59.01383	29.9
71.01374	4.9
73.02921	1.4
82.34573	0.8
85.02934	0.9
85.83628	0.8
87.05627	2.0
89.02402	5.9
92.22467	1.0
99.00869	1.7
100.00367	1.1
101.02409	4.2
110.02465	2.0
111.05548	0.8
113.02425	1.7
114.98555	0.9
115.03970	1.4
119.03484	1.3
129.06694	13.0
137.02438	1.6
139.17064	1.1
144.07729	4.6
150.09383	0.9
151.75598	0.8
161.04556	1.0
164.03870	4.3
167.11859	1.9
168.07799	1.3
169.09813	1.8
169.13478	8.1
179.03702	1.0
179.05577	1.0
183.91673	0.9
186.08836	8.1
195.11435	1.2
212.13995	1.3
225.14938	3.9
226.15634	8.5
240.13548	0.9
252.13298	0.9
254.15195	7.7
267.06641	15.6
281.16220	1.7
297.19250	4.1
299.17163	1.9
300.15582	2.0
325.18771	1.5
339.20273	6.7
383.19659	1.1
387.20233	18.6
430.79523	1.0
432.16791	1.7
447.13150	14.9
447.19135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00899	0.7
52.24343	0.8
52.81376	0.8
59.01377	9.1
60.16439	0.7
63.74797	0.7
63.96241	57.4
64.97023	1.2
71.01370	2.1
76.15521	0.8
76.30599	0.8
79.95738	72.0
80.96514	19.9
85.02952	1.0
89.35715	0.9
101.02411	1.1
119.08643	1.5
136.99103	1.1
137.09686	2.1
139.11281	0.9
149.93408	1.0
171.10283	3.6
173.06447	1.3
203.14868	1.1
206.64215	0.9
211.13387	1.7
223.16965	2.1
251.16487	5.3
252.37738	0.9
291.19672	1.6
329.23239	4.4
429.19318	5.5
443.91583	0.9
447.20627	100.0
447.25607	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10044	1.1
50.39413	0.9
50.48174	1.0
59.01390	10.8
61.98819	2.2
63.96245	50.4
69.93368	1.3
71.01355	1.2
71.95517	1.2
73.02972	1.5
75.00858	5.5
77.31334	1.2
79.95740	86.3
80.96508	16.9
87.18449	1.1
89.02401	1.9
97.02946	1.3
97.46253	1.2
101.02420	2.3
125.71914	1.2
133.03247	2.1
147.18137	1.3
149.02809	3.1
171.10260	7.9
194.47223	1.5
211.13507	2.7
214.90898	1.6
251.16655	5.5
291.48862	1.6
329.23315	3.2
447.20691	100.0
447.26187	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2159
Annotation	Cochinchinone A
Peak:m/z	Relative Intensity
56.35546	0.3
70.24241	0.4
70.56883	0.4
78.95903	44.9
96.96954	4.4
106.62665	0.5
116.08412	0.4
119.03424	0.4
149.00066	0.9
150.98048	0.9
152.99586	100.0
156.01772	0.5
156.89377	0.4
169.32590	0.4
170.57150	0.4
171.00630	3.3
173.56769	0.4
174.40060	0.5
176.19955	0.4
219.11250	0.5
338.70074	0.5
339.83109	0.5
367.72720	0.4
447.13589	9.6
447.21628	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59630	0.6
59.01381	1.4
61.58730	0.5
78.95902	49.4
86.09319	0.6
96.00906	1.1
96.96949	5.5
146.51971	0.7
149.00084	3.0
150.98038	0.8
152.99588	100.0
171.00677	2.5
171.10240	0.8
179.01236	0.6
210.35414	0.6
293.21152	0.8
311.22491	0.7
355.18579	0.6
439.54669	0.7
447.13510	56.1
447.21555	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32704	1.5
52.61390	1.8
59.01383	100.0
64.89149	1.9
69.03438	1.8
71.01385	18.2
73.02932	2.8
85.02959	10.6
87.00887	2.3
89.02448	13.6
95.01402	2.0
99.00861	2.6
101.02446	13.3
105.96167	2.1
113.02449	23.3
114.17707	2.0
115.04006	3.8
119.03489	4.1
119.97964	2.2
120.15020	1.7
153.09187	23.2
161.04544	10.7
169.76982	1.9
179.05756	2.4
206.32730	2.0
225.14981	29.1
230.08565	2.7
240.73277	2.0
387.20251	45.9
447.23041	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.62593	0.8
71.01393	6.1
73.02965	1.1
73.61012	0.8
85.02960	1.3
89.02438	9.4
92.28620	0.9
95.26901	0.9
101.02427	5.8
103.10175	0.8
113.02453	3.9
119.03526	3.8
161.04558	3.8
179.05652	1.6
189.12880	3.9
254.83171	0.9
346.48798	1.2
387.20276	19.1
409.77136	1.0
447.22308	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88839	0.9
59.01383	100.0
60.15649	1.1
61.98181	1.2
63.10190	0.9
66.20427	1.0
71.01376	9.7
73.02936	1.6
76.94733	1.0
79.34434	1.0
82.82961	1.0
85.02953	2.1
89.02422	8.3
101.02443	8.2
112.20583	1.3
113.02435	6.7
114.67148	1.1
119.03497	5.4
122.38779	1.1
136.04332	1.3
161.04533	6.6
179.05629	2.5
189.12875	1.1
285.04044	1.6
387.16284	1.3
387.20575	15.2
447.22308	9.7
450.58939	1.5
457.99600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01373	18.9
71.69866	2.4
73.02946	3.3
85.02943	3.6
89.02451	9.9
101.02441	10.2
101.74858	2.5
113.02438	8.9
119.09049	2.2
135.04530	2.8
138.76315	2.3
153.09215	30.8
157.51668	2.3
159.02927	2.5
161.04549	10.7
194.69592	2.5
210.34532	2.4
225.14980	44.3
387.20294	72.4
447.22241	19.8
456.07101	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	0.8
59.01384	10.5
60.51067	0.5
65.40105	0.6
70.98689	0.5
71.01379	21.7
71.15494	0.5
71.78058	0.5
73.02943	12.3
83.01385	3.3
85.02946	11.4
89.02448	7.9
92.23111	0.7
94.04253	0.6
94.85374	0.6
95.01325	1.0
99.00904	5.9
101.02440	30.9
105.01932	1.2
113.02444	17.7
125.02424	1.0
143.03464	1.4
159.03052	4.5
161.04562	16.1
209.11911	0.7
315.18198	10.7
447.22409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01381	9.5
66.16600	0.6
71.01376	22.9
71.01773	0.8
73.02940	10.4
78.95900	0.6
81.31171	0.6
83.01373	3.5
84.02197	0.6
85.02950	9.7
87.00829	0.8
89.02470	4.6
95.01365	0.9
96.11526	0.6
97.02923	1.2
99.00877	6.8
101.02431	30.4
113.02437	16.3
115.04007	1.0
125.02376	0.9
139.03986	4.9
143.03452	1.5
147.56676	0.6
147.70851	0.7
159.02972	3.4
161.04538	15.5
193.01460	0.8
233.06670	0.9
241.08633	0.8
255.05768	0.7
257.08167	3.7
267.06604	4.6
315.18158	15.2
378.32333	0.7
447.13382	8.5
447.22391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18013	0.8
55.01879	1.6
56.16672	0.9
57.56818	0.9
57.57369	0.8
58.29436	1.0
59.01108	1.2
59.01384	21.5
62.32853	0.9
68.46518	0.9
71.01377	40.8
72.99277	1.2
73.02933	17.4
78.08344	1.0
81.22337	1.0
81.38511	1.0
83.01359	2.3
85.02950	19.0
87.00886	1.2
89.02428	14.4
91.25460	1.0
95.01370	1.3
97.02921	1.2
99.00873	8.3
101.02442	31.1
113.02428	19.8
119.03476	2.1
125.02402	1.1
129.75139	1.0
134.38072	0.9
139.11229	1.0
149.04526	1.3
161.04567	10.3
315.18094	11.4
354.79889	1.1
447.22379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28779	1.6
56.23447	1.5
57.63458	1.4
59.01380	74.7
65.15475	1.8
71.01371	41.2
73.02943	21.0
74.99088	3.9
79.95719	4.4
85.02939	13.4
88.04984	1.9
89.02438	58.7
95.01347	4.3
99.00266	3.7
99.00870	81.9
101.02437	27.9
106.01362	2.0
108.49592	1.9
113.01788	2.0
113.02442	38.8
119.03465	9.3
127.95144	2.1
131.03444	11.5
136.99072	2.9
139.11244	12.6
148.15173	1.7
149.04555	20.7
161.04489	11.6
183.04489	3.2
183.10193	6.8
191.05630	21.9
201.11354	14.4
233.06610	6.7
239.54166	2.3
285.20575	4.2
447.22055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03437	1.5
58.10600	0.9
59.01381	42.4
69.03450	1.3
71.01379	54.7
72.99306	1.1
73.02950	13.5
75.09891	0.9
76.99273	0.9
83.01369	6.3
85.02940	17.7
87.00868	13.2
89.02441	34.4
95.01366	1.3
97.02918	1.8
99.00868	5.5
101.02440	37.0
111.00852	4.3
113.02430	19.4
116.90915	0.9
119.03465	1.9
125.02397	4.6
131.03481	15.7
149.04521	9.2
152.47253	0.9
161.04552	9.1
191.05573	2.4
194.45171	1.0
210.29916	1.1
245.47801	1.2
254.81772	1.1
285.11383	1.6
285.20715	1.7
293.08609	1.8
315.18158	13.8
447.22220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12019	1.2
54.38139	1.1
54.71081	1.4
55.01874	1.7
57.03447	2.2
59.01388	37.2
60.04128	1.3
71.01381	72.9
73.02946	26.9
83.01393	9.3
85.02468	2.3
85.02946	27.5
87.00826	1.6
89.02438	24.7
89.26769	1.5
95.01411	5.3
97.02943	1.8
99.00882	12.0
99.37041	1.4
101.02449	57.0
113.02447	38.0
113.28606	1.4
113.61123	1.5
119.03479	3.0
125.09704	1.7
129.01932	2.1
143.03502	1.7
157.13530	1.4
159.02940	7.4
161.04550	27.7
228.08031	1.6
241.81383	1.6
245.63379	1.9
315.18213	68.1
349.18591	2.0
447.22379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39867	1.4
59.01382	95.1
66.83403	1.5
71.01385	11.6
73.02917	2.4
75.00867	44.8
77.70161	1.3
81.64123	1.5
82.08706	1.4
83.01369	1.6
85.02934	2.8
89.02417	9.4
101.02444	12.3
106.10652	1.3
113.02395	6.7
152.29967	1.7
161.04541	2.7
168.73982	1.5
176.27473	1.5
179.05574	2.0
227.03505	27.3
235.90192	1.5
255.00366	2.2
255.02998	55.6
256.03644	7.5
284.03299	89.3
285.04150	16.1
286.17816	1.7
299.19098	1.6
321.77490	1.8
387.20163	21.2
447.09140	100.0
447.21790	3.4
447.26639	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2395
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.96552	0.8
59.01369	2.3
67.49154	0.9
69.11333	0.9
72.64819	0.9
78.95917	1.3
85.44185	0.9
87.38381	1.0
93.03429	3.9
111.04552	1.3
117.03441	4.7
119.05010	35.4
137.02461	2.3
139.95178	1.0
145.02954	100.0
152.99573	6.0
155.03545	4.9
161.02432	5.9
163.04013	53.6
221.19115	12.7
265.18219	10.7
283.19241	12.4
301.20212	16.1
366.93799	1.1
408.45322	1.1
447.23975	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02710	0.7
55.91921	0.7
57.03436	1.0
58.14458	0.7
59.01374	5.3
87.65704	0.9
92.31201	0.8
95.72689	0.7
117.03455	5.2
119.05023	43.7
132.07530	0.9
145.02956	97.7
151.12250	1.0
152.99591	1.4
163.02646	1.9
163.04012	59.0
221.19121	15.5
249.62877	0.9
265.18103	14.0
283.19235	12.0
301.20233	17.7
399.95438	1.0
406.90118	1.0
447.23935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98471	0.4
54.96292	0.4
77.06129	0.4
78.95898	4.5
97.95325	0.4
108.88467	0.4
110.98489	2.7
152.99628	3.9
167.01082	0.8
185.02235	3.5
279.23318	100.0
368.37653	0.5
384.23291	0.5
390.64352	0.5
406.56656	0.5
419.02612	0.5
447.25336	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38389	0.7
59.01378	1.1
61.45002	0.6
66.53867	0.6
72.96337	0.6
78.74142	0.6
78.84666	0.6
78.95908	5.4
87.65113	0.6
101.94147	0.6
110.98542	3.3
138.47141	0.8
152.99582	5.7
185.02223	2.7
201.44984	0.8
267.47839	0.7
279.23312	100.0
327.98010	0.7
447.25394	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Mappain
Peak:m/z	Relative Intensity
50.45221	1.0
59.01381	1.2
78.95903	39.6
79.15977	1.2
84.92130	1.3
96.96955	2.4
150.98042	2.3
152.99583	100.0
171.00690	2.2
198.53346	1.5
279.23160	4.7
293.24686	2.4
378.72891	1.5
447.25354	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42611	0.5
78.95904	7.6
84.16651	0.6
110.98514	10.2
126.88648	0.6
152.99603	0.9
167.01172	10.3
178.33472	0.7
185.02299	2.2
227.56157	0.7
279.23315	100.0
325.06183	0.8
447.25275	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.0
81.03452	2.2
81.37442	1.7
83.05020	9.7
90.95737	1.8
93.03448	57.4
96.02169	2.3
103.10786	1.9
111.04500	33.5
127.11276	2.5
127.15904	1.8
135.95004	2.5
137.02448	100.0
152.99519	1.9
153.77731	2.1
155.03493	83.7
171.10254	7.8
219.82388	2.0
255.23305	36.8
296.53094	2.1
411.27579	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2605
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
50.52714	0.5
56.22046	0.6
59.01384	22.1
62.85454	0.6
71.01382	13.2
71.05028	1.6
73.02969	3.4
80.24623	0.7
83.01399	1.6
85.02953	5.7
85.18420	0.7
87.00897	0.6
89.02434	12.1
91.83288	0.7
95.01382	0.9
97.06635	0.7
99.00884	1.2
101.02444	14.6
101.21735	0.7
113.02465	7.7
115.04044	0.8
119.03545	2.6
119.69070	0.5
125.09690	5.0
129.01990	0.8
139.11346	1.0
141.09215	0.6
143.07243	0.6
149.04604	1.0
169.16159	0.8
169.24939	0.8
171.10358	1.0
179.05870	0.8
183.10301	0.8
187.09789	3.9
187.30452	0.6
195.17619	2.5
197.11929	1.3
201.11375	1.5
223.20811	0.8
249.18634	1.3
251.20270	1.5
267.19638	11.7
269.21252	14.8
285.20743	9.6
285.23264	0.7
315.18082	0.6
423.45416	0.8
429.25192	2.8
447.26346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2605
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01879	0.6
57.03437	0.5
59.01383	11.0
61.98820	0.7
62.85958	0.4
67.72822	0.4
71.01385	7.5
73.02944	4.2
78.95899	2.4
83.01389	2.1
85.02946	4.7
85.62469	0.6
86.65209	0.5
88.01254	0.5
89.02444	3.7
95.01310	0.5
96.96954	0.6
99.00862	1.1
101.02445	11.2
103.03978	0.5
113.02423	4.0
152.90945	0.5
161.04555	0.5
166.45721	0.5
227.10843	0.8
239.20227	0.7
267.19714	2.5
284.39822	0.5
285.20697	5.9
429.24948	1.7
447.26111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2606
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.08062	0.8
59.01382	21.2
71.01386	12.8
73.02929	2.0
75.89812	0.9
78.23812	0.9
78.95840	0.9
83.01395	1.7
85.02981	5.6
87.00871	1.6
89.02444	1.9
101.02443	6.9
113.02465	2.6
125.02541	1.3
137.20268	1.1
152.99583	5.2
194.95158	1.1
211.13503	1.8
225.18608	1.7
243.19656	45.7
257.21210	1.5
278.52591	1.2
387.23962	12.5
405.24982	59.1
447.26123	100.0
453.57138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2758
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
50.50185	0.6
50.54925	0.6
55.31702	0.6
63.73344	0.7
63.91718	0.7
83.88265	1.0
91.80948	0.7
92.23078	0.9
97.66235	0.8
105.30595	0.8
107.77165	0.8
113.72943	0.8
133.02934	5.5
134.03737	13.5
135.04543	1.4
137.02431	0.9
147.01140	0.9
148.05336	1.9
160.01645	27.5
161.02423	5.3
161.06120	3.2
162.03221	1.1
175.04007	88.7
178.02690	3.4
179.03513	1.6
193.05038	9.3
204.05815	0.8
227.67165	0.8
247.09756	1.2
260.17923	1.0
271.22827	17.2
300.48752	1.0
303.15866	1.1
317.17780	1.2
331.19128	3.5
345.20999	6.1
347.25778	1.6
359.22415	1.3
361.84827	0.8
364.27454	0.8
415.04510	0.9
415.24905	8.7
447.27567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46479	0.8
57.14804	0.7
59.01385	100.0
59.19511	0.9
69.42881	0.8
78.95921	1.7
152.99582	2.3
185.89310	0.9
229.66147	1.1
321.10553	1.1
447.30856	2.3
450.54971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84926	0.9
59.01381	100.0
61.75444	0.9
78.95899	21.8
84.94862	1.0
152.99580	48.7
167.25453	1.1
199.29250	0.9
203.13533	1.0
279.23343	4.8
368.01379	1.0
414.16147	1.2
447.25378	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44957	0.6
53.49966	0.6
53.95823	0.6
56.71976	0.7
59.01383	100.0
61.98832	71.4
78.95898	1.5
79.16032	0.6
80.37014	0.6
93.80255	0.7
152.99573	3.0
172.37352	0.7
255.23198	1.0
270.37326	0.7
416.51578	0.8
447.31415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18543	0.5
50.32343	0.6
59.01381	68.2
61.98832	100.0
62.63162	0.6
66.34447	0.5
71.18124	0.6
78.95909	0.7
100.59542	0.6
134.99901	0.6
152.99582	1.5
159.03802	0.6
271.79547	0.7
332.84674	0.7
368.94833	0.7
447.35049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87218	0.5
59.01381	100.0
61.65544	0.4
61.98830	94.7
76.58562	0.5
78.95890	0.9
81.25425	0.5
106.18758	0.5
110.76180	0.5
152.99562	2.1
165.96857	0.7
209.70363	0.6
238.94090	0.6
440.75745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.312
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
77.34757	0.5
79.99597	0.5
82.06009	0.6
101.39391	0.6
109.02948	2.6
133.02951	99.4
135.00874	1.2
136.34424	0.6
151.04021	10.8
177.01938	13.9
193.55499	0.7
250.25148	0.7
318.43353	0.7
403.35947	7.5
405.30060	1.3
447.07321	1.0
447.31091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3118
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
54.06458	0.5
60.49100	0.5
63.42345	0.5
68.70498	0.5
78.95910	0.7
97.99306	0.5
133.02948	2.6
134.03741	4.2
135.04549	6.0
136.98953	0.6
137.02432	3.2
152.99533	1.1
161.02446	12.4
178.02777	2.1
179.03502	6.3
239.63293	0.6
253.21733	24.0
313.09064	0.6
447.31201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61083	0.6
55.74912	0.6
58.57317	0.6
63.84453	0.5
64.68599	0.7
69.24696	0.7
84.08561	0.7
95.05013	4.0
112.69681	0.7
138.69113	0.8
140.53384	0.7
176.38788	0.7
265.30432	0.8
303.23383	1.2
305.24753	1.1
323.63379	0.8
343.30118	5.5
357.31696	10.4
359.33237	42.8
403.32202	47.3
447.31168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.98834	0.6
67.70090	0.4
69.28815	0.3
78.95905	2.7
85.02966	0.4
85.67819	0.4
87.04485	0.4
97.19846	0.4
113.12267	0.4
127.11263	2.0
136.01656	0.7
137.02449	1.9
152.99594	4.7
155.10767	0.6
155.14453	1.6
157.12363	6.2
164.09669	0.4
167.14424	2.0
169.12369	0.5
183.13898	5.3
185.15517	0.5
213.14961	8.0
215.16505	0.5
223.17029	2.2
241.18077	1.0
347.29462	0.6
363.29337	0.6
399.31247	3.0
429.32251	1.7
445.31677	0.9
447.23114	2.6
447.33337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3485
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
50.58232	1.9
58.79992	1.6
63.59800	1.8
64.67094	1.7
65.21797	1.8
67.71520	1.8
114.94329	2.0
267.65485	3.0
319.31781	2.1
369.31619	8.8
383.33209	4.1
385.34827	40.3
403.35916	38.5
409.92776	2.2
447.34882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3484
Annotation	Numersterol A
Peak:m/z	Relative Intensity
52.90651	0.7
58.83687	0.8
60.99310	3.4
62.17528	0.7
75.59868	0.9
79.34492	0.8
109.03008	3.4
109.06595	1.6
149.27054	0.9
205.55962	0.8
329.28644	5.1
331.30188	13.5
385.31116	5.5
385.35214	13.4
388.31284	1.0
411.32706	7.2
428.05646	1.1
429.33740	71.5
447.07571	1.2
447.35086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41693	0.9
67.38811	0.8
96.96004	100.0
105.83220	1.0
109.03019	0.9
142.02946	7.1
144.04604	1.0
149.55495	1.0
158.03741	1.6
160.04045	2.0
168.63144	1.0
172.04039	22.3
173.06067	1.7
216.03055	2.1
300.06824	1.8
301.07434	3.9
302.08206	8.6
308.05057	1.0
309.33624	0.9
314.08105	1.0
316.09717	2.3
328.06363	1.4
329.06888	7.8
330.07788	31.8
330.11578	1.6
344.09293	10.5
345.10080	17.8
360.12515	36.1
377.09125	5.9
448.10461	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84877	0.3
59.27834	0.3
62.04095	0.3
67.65975	0.3
70.70644	0.3
77.75490	0.3
79.95737	1.4
87.69167	0.3
96.96004	100.0
132.07004	0.3
132.36371	0.3
145.29184	0.3
165.85153	0.3
184.50139	0.3
198.49237	0.3
263.55963	0.3
448.10870	2.0
460.90460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98850	0.3
62.31904	0.3
66.43305	0.2
71.01377	0.3
79.66441	0.3
79.95716	1.1
87.00871	0.5
89.18620	0.3
96.96005	100.0
123.32167	0.2
125.98167	0.2
357.15515	0.3
388.20758	0.5
448.10794	2.0
448.16223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.2
60.58118	0.3
61.50501	0.4
61.98835	35.9
64.91307	0.4
69.88914	0.3
70.97809	0.4
71.01336	0.4
73.05009	0.4
76.33102	0.4
78.16611	0.3
84.04546	0.6
84.60308	0.4
85.02954	1.7
96.00848	0.4
99.04507	0.6
100.03439	0.4
101.02444	0.4
113.02447	100.0
113.07932	0.4
160.15877	0.4
226.15340	0.8
287.07724	2.6
334.07883	6.8
368.57330	0.5
388.20679	1.6
401.11038	2.2
448.11014	16.2
448.23322	0.5
450.34265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37651	0.8
54.31165	0.8
54.49990	0.8
61.98848	1.3
66.72218	0.7
66.79450	0.8
70.91350	0.8
78.06730	0.7
87.40279	0.8
140.33359	1.0
142.02969	4.7
144.04524	1.1
159.03255	3.3
160.04065	18.6
168.54768	0.9
171.04489	8.9
172.04077	0.9
184.05249	0.9
186.06873	14.4
188.03551	100.0
242.04585	0.9
266.60178	0.9
309.08932	0.9
318.07596	1.0
344.09256	5.0
359.11493	1.0
373.09570	1.3
400.67642	1.0
448.14072	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
60.01704	1.1
61.20691	0.6
61.47293	0.7
61.98830	100.0
71.01387	3.2
72.01690	1.1
73.02952	1.1
78.11505	0.6
85.02934	0.7
92.22486	0.9
94.08392	0.6
97.02945	3.3
98.03304	0.7
101.02445	2.4
103.02885	0.6
113.02433	0.7
134.98227	0.6
161.04579	2.4
162.04909	0.8
163.04999	0.9
182.11542	0.7
205.12340	4.1
206.12675	6.3
207.12999	2.4
208.13234	1.3
272.50446	0.7
370.18588	0.9
388.20544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52922	0.8
59.01385	8.9
59.21769	0.7
61.98831	100.0
62.44529	0.7
67.25681	0.8
71.01378	1.4
71.02033	0.8
74.36507	0.7
87.70630	0.7
89.02444	1.2
95.86831	0.7
97.83138	0.8
98.46067	0.7
101.02397	1.0
194.75153	0.9
206.12695	1.4
207.12971	1.0
225.14883	1.0
226.15317	3.2
237.64278	0.7
388.20621	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
60.01704	1.1
61.20691	0.6
61.47293	0.7
61.98830	100.0
71.01387	3.2
72.01690	1.1
73.02952	1.1
78.11505	0.6
85.02934	0.7
92.22486	0.9
94.08392	0.6
97.02945	3.3
98.03304	0.7
101.02445	2.4
103.02885	0.6
113.02433	0.7
134.98227	0.6
161.04579	2.4
162.04909	0.8
163.04999	0.9
182.11542	0.7
205.12340	4.1
206.12675	6.3
207.12999	2.4
208.13234	1.3
272.50446	0.7
370.18588	0.9
388.20544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
60.01712	0.8
61.01836	0.6
61.98833	100.0
69.72703	0.5
71.01366	0.6
76.73452	0.5
87.99776	0.5
88.49689	0.5
89.02455	0.7
97.77504	0.5
101.02418	0.5
116.90667	0.5
129.91273	0.5
172.56657	0.5
383.83118	0.6
448.19595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09974	0.4
59.01381	10.2
61.98836	100.0
71.01395	2.4
85.02956	0.6
89.02454	0.8
101.02475	0.7
111.23412	0.5
113.02438	13.9
119.03525	0.6
138.82147	0.5
152.13347	0.5
153.09167	0.7
154.09601	0.5
182.51192	0.5
225.14941	0.7
226.15402	2.2
256.76804	0.5
388.20612	4.9
448.10895	1.1
448.22931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55773	1.0
61.98832	100.0
63.52079	1.0
66.85421	1.0
78.95898	9.7
80.60258	1.2
92.22524	1.3
92.23019	2.0
97.92296	1.1
101.72987	1.1
120.17617	1.3
152.99565	13.9
314.21188	1.3
380.92575	1.2
425.14520	1.3
440.93491	1.4
448.21890	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55773	1.0
61.98832	100.0
63.52079	1.0
66.85421	1.0
78.95898	9.7
80.60258	1.2
92.22524	1.3
92.23019	2.0
97.92296	1.1
101.72987	1.1
120.17617	1.3
152.99565	13.9
314.21188	1.3
380.92575	1.2
425.14520	1.3
440.93491	1.4
448.21890	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31625	0.8
61.98833	100.0
64.72176	0.9
68.14631	0.8
72.75719	1.0
78.95895	7.0
122.80790	0.9
152.99579	18.8
153.99998	1.6
190.91974	1.0
198.93614	0.9
248.35144	0.9
385.22345	1.3
448.22385	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46496	0.9
61.98832	100.0
66.68296	0.9
140.50551	1.2
144.67783	1.1
152.99590	5.5
199.53290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.1
59.01383	43.8
59.09653	2.5
60.01731	2.9
61.98842	3.5
71.01379	91.5
72.01717	14.4
72.71411	2.5
73.02940	27.6
74.03288	3.8
74.45522	2.7
81.80652	2.5
83.01392	6.5
85.02940	47.2
86.03286	3.3
89.02444	27.6
95.01361	2.9
99.00876	15.8
101.02451	65.1
102.02781	18.0
110.48936	2.5
113.02445	48.3
114.02772	16.1
117.07751	2.7
119.03427	3.3
161.04576	32.1
161.05840	3.8
162.04901	15.4
213.01248	2.9
315.18069	30.8
316.18494	78.6
331.70590	3.1
448.16843	6.1
448.22647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54175	0.6
59.01371	0.6
61.98832	100.0
63.69538	0.6
74.49638	0.6
81.04829	0.6
90.94965	0.6
92.22519	0.8
103.17259	0.6
113.13830	0.7
197.11858	1.4
214.14500	17.8
215.17058	0.7
385.27124	4.0
416.95261	0.8
447.45447	0.7
448.21057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09046	0.7
53.63454	0.8
59.01381	1.4
61.98785	0.6
65.07238	0.7
65.26296	0.7
71.84063	0.6
76.02754	0.7
78.95905	3.3
98.90442	0.7
109.20832	0.7
152.99564	5.7
173.76152	0.7
301.95215	0.8
305.08444	1.1
319.06064	0.9
333.07672	1.4
334.38632	0.7
337.07156	0.9
349.07303	1.7
353.06882	0.9
359.70810	0.9
361.07278	10.9
362.04306	3.5
363.05151	0.9
377.06726	1.5
381.06146	18.4
389.03085	1.6
390.03925	1.3
395.59827	1.0
405.06192	39.5
405.22064	0.8
407.04129	15.0
431.04727	0.8
449.05188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	75.0
59.35544	1.2
61.98839	19.8
66.09447	1.3
67.23225	1.1
71.01374	15.2
81.67299	1.2
85.02969	1.5
87.00864	45.9
89.02436	32.6
93.68459	1.3
101.02437	23.4
113.02425	14.5
113.24997	1.3
115.03980	1.4
119.03500	14.5
123.04511	2.4
135.04526	34.3
153.05518	10.7
198.77945	1.3
215.77078	1.2
236.36220	1.1
312.58640	1.4
315.10901	100.0
389.21707	5.9
449.12357	5.9
455.32117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72153	2.6
54.37767	2.6
59.01377	30.1
68.42838	2.7
71.01374	16.9
88.98778	3.0
89.02446	6.1
91.12343	3.6
101.09866	3.0
115.00344	41.5
120.99660	6.8
133.01431	100.0
138.03300	5.1
153.05576	83.9
163.48289	2.7
228.16795	2.8
247.69124	3.2
248.20995	2.7
389.14636	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.6
64.88972	1.3
66.35133	1.4
71.01389	3.5
83.04538	1.5
89.02410	1.6
96.66247	1.4
96.96002	7.6
98.36948	1.4
101.02438	9.7
113.02397	2.1
119.03500	2.1
137.02446	1.8
144.56386	1.5
149.02414	21.4
152.01135	2.3
164.04814	32.7
165.01910	54.8
179.03545	11.6
179.07086	3.4
180.04285	96.2
180.34503	1.5
193.01468	8.6
194.05855	2.7
195.06638	98.1
202.88646	1.5
208.03792	47.4
208.05705	2.3
210.05322	24.3
220.12506	1.5
223.06125	100.0
225.07697	69.6
240.60548	1.6
269.17511	2.0
320.20276	2.0
327.08762	2.0
401.12097	10.4
449.14313	6.0
449.24026	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.161
Annotation	Artonin T
Peak:m/z	Relative Intensity
51.44004	0.9
52.46130	1.1
59.01377	5.8
61.98824	2.4
66.04224	1.1
69.15667	1.2
73.02927	2.7
78.95889	12.6
80.85486	1.0
83.01408	1.4
83.38103	1.2
85.02957	2.5
93.77265	1.3
96.96955	1.6
113.02441	5.5
149.06090	1.6
151.84108	1.3
152.98376	1.3
152.99573	37.6
153.01656	1.1
157.06618	8.3
160.72911	1.2
173.06110	7.5
177.01984	1.9
195.03043	8.1
199.07674	6.6
201.05528	1.7
216.18570	1.1
225.05606	2.1
226.06413	2.5
227.07195	6.2
239.06956	1.2
241.05090	5.3
243.06729	1.5
245.08171	11.3
254.05945	1.4
255.23497	1.6
266.06046	1.5
313.12143	1.4
314.76688	1.3
315.10416	1.5
315.25555	2.6
333.11444	15.0
355.13644	1.6
357.11417	7.7
358.12262	7.1
361.10440	1.2
375.12555	1.3
399.12497	2.1
431.15317	8.9
449.16241	100.0
449.23065	16.1
454.35843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68653	0.5
58.45984	0.4
59.01388	2.7
61.98826	0.8
68.94363	0.5
84.29093	0.6
87.00871	100.0
89.02461	0.6
94.66833	0.5
123.04508	1.3
145.61568	0.6
153.05574	10.0
315.10892	2.6
413.14676	1.0
449.19281	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03439	0.6
59.01382	100.0
62.47846	0.6
71.01373	12.5
72.39402	0.7
73.02937	1.8
83.01374	1.4
85.02938	6.9
87.00872	1.2
88.03620	0.7
89.02434	10.6
95.01364	1.0
96.95992	7.4
97.02945	6.2
99.00864	1.4
101.01786	1.1
101.02432	21.5
113.02451	9.3
119.03484	3.8
161.04532	8.5
179.05602	1.0
180.04301	1.1
223.06087	0.9
263.11395	67.8
343.14026	1.6
389.21869	6.1
399.68515	1.0
449.19000	1.2
449.24179	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.3
71.01379	10.1
73.02943	1.0
85.02955	2.6
89.02430	12.7
101.02424	6.8
110.37411	0.7
113.02444	100.0
119.03490	3.5
119.05022	0.7
131.07120	1.0
143.03479	0.8
148.54373	0.6
153.09193	2.4
161.04579	2.7
163.03996	0.8
167.07120	1.3
179.05634	5.2
180.54260	0.8
192.22966	0.6
199.04295	0.9
201.17612	0.6
209.15529	0.7
213.59535	0.7
315.13660	0.8
375.49588	0.7
389.21848	25.3
449.24274	9.2
457.96115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.3
71.01379	10.1
73.02943	1.0
85.02955	2.6
89.02430	12.7
101.02424	6.8
110.37411	0.7
113.02444	100.0
119.03490	3.5
119.05022	0.7
131.07120	1.0
143.03479	0.8
148.54373	0.6
153.09193	2.4
161.04579	2.7
163.03996	0.8
167.07120	1.3
179.05634	5.2
180.54260	0.8
192.22966	0.6
199.04295	0.9
201.17612	0.6
209.15529	0.7
213.59535	0.7
315.13660	0.8
375.49588	0.7
389.21848	25.3
449.24274	9.2
457.96115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.97016	0.9
75.00864	1.2
84.83915	0.8
85.33967	1.0
96.96000	9.6
108.07472	0.9
117.90645	0.9
146.03714	1.9
179.07082	6.9
190.04385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1951
Annotation	Flemiphilippinin B
Peak:m/z	Relative Intensity
51.94445	0.6
59.01379	4.0
62.57092	0.8
71.01385	1.3
73.02962	0.8
78.95899	45.0
83.01418	0.9
96.96001	1.8
96.96964	5.3
101.02444	5.1
118.65917	0.7
135.04527	0.8
152.99580	100.0
171.00722	1.9
220.07477	0.9
241.21857	1.0
251.20215	1.2
287.22238	4.2
295.18912	0.8
321.40552	0.9
449.19510	52.0
449.27576	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98612	0.7
56.46368	0.9
59.01381	4.1
61.61854	1.0
61.98834	1.3
63.96248	1.1
65.93740	0.8
71.01379	1.0
78.95903	29.4
92.23164	1.0
96.96948	2.1
101.02402	1.0
117.87756	0.9
150.97960	1.3
152.99590	100.0
171.00679	1.9
213.46877	0.9
307.11581	1.0
449.19354	33.8
449.26990	1.3
467.70383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30200	1.5
58.02703	1.4
59.01379	11.1
61.98839	2.5
63.96238	67.7
72.71149	2.0
79.95734	89.5
80.96510	6.8
81.33405	1.5
83.32958	1.6
90.33090	1.6
101.02429	2.9
132.72951	1.8
183.14102	2.1
185.15204	2.0
225.43036	1.7
269.76886	2.2
293.21109	2.3
345.44812	2.6
426.14136	2.1
431.21234	2.6
449.22144	100.0
449.27509	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96739	4.2
63.96241	73.7
78.95909	5.3
79.95737	90.9
80.96513	6.2
84.75103	3.7
89.81085	4.1
91.93714	4.1
109.71583	4.1
152.99593	7.3
167.15686	4.2
233.91731	5.9
316.35641	4.3
412.76013	5.0
449.11829	12.6
449.22244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67770	0.4
56.83084	0.4
78.95903	41.6
96.96970	5.1
99.32838	0.4
150.97998	1.7
152.99586	100.0
171.00610	2.5
171.10287	0.7
200.67886	0.4
236.65262	0.5
250.00632	0.5
277.21753	1.0
287.47485	0.5
332.65820	0.5
449.23163	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2315
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
53.46939	0.5
62.47727	0.5
78.95902	28.3
83.47739	0.5
94.35602	0.5
96.96957	4.5
150.98003	0.8
152.99585	100.0
166.90176	0.6
171.00592	4.2
188.33403	0.5
205.34497	0.5
254.77725	0.6
277.21552	0.6
449.23154	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2315
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
50.38988	0.5
51.36772	0.4
55.45972	0.4
63.22507	0.4
76.67722	0.5
77.72947	0.5
78.95899	24.9
79.40591	0.5
81.45666	0.6
83.39072	0.5
85.59470	0.4
96.96954	4.1
115.53352	0.5
126.68979	0.5
150.98068	0.8
152.99583	100.0
171.00626	3.9
195.14034	0.5
204.55112	0.5
449.23141	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.8
63.09518	0.5
64.74212	0.5
78.95905	35.7
78.96366	1.3
96.96012	1.0
96.96952	5.2
105.19817	0.6
129.97581	0.7
150.97943	0.9
152.99585	100.0
171.00626	1.4
216.91206	0.7
219.67035	0.7
449.23120	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01373	1.9
79.80957	1.2
101.02452	1.9
101.50353	1.2
113.02463	1.7
130.65724	1.3
155.10953	1.2
389.21906	16.1
449.24066	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41211	1.3
50.51547	1.3
55.54707	1.3
56.07700	1.7
59.01384	88.0
65.17261	1.5
71.01383	30.5
83.27107	1.6
85.02952	6.2
89.02440	39.7
101.02426	18.4
113.02419	15.4
113.44286	1.7
116.91022	1.6
117.61952	1.5
119.03501	18.1
143.03448	2.5
161.04552	2.9
162.30545	1.9
179.05557	7.8
261.85892	2.0
389.21866	100.0
449.14359	2.5
449.23932	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01379	3.4
73.02971	0.8
73.04599	0.6
84.52130	0.6
85.02954	3.1
89.02449	0.8
99.00804	0.6
100.99266	0.7
101.02458	2.6
106.02587	0.7
113.02433	1.5
161.04512	1.2
175.47324	0.8
297.62775	0.7
389.21832	13.9
449.24316	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.24
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
52.80089	0.6
55.35449	0.5
59.01383	100.0
59.72793	0.5
71.01367	6.2
73.02944	2.8
76.83753	0.6
85.02946	2.8
89.02426	3.3
101.02443	5.0
104.92458	0.7
113.02460	2.9
116.92844	2.8
119.03506	0.8
141.88860	0.7
141.89902	0.9
155.10774	3.1
161.04547	4.6
191.05710	1.7
191.67987	0.7
227.16562	4.2
247.70784	0.8
389.21902	24.5
449.11240	1.1
449.23947	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88184	0.6
54.95898	0.7
58.15076	0.6
59.01381	100.0
63.81031	0.6
71.01370	6.8
73.02940	2.8
79.56659	0.6
83.01382	1.0
85.02945	3.5
87.00871	7.7
89.02440	5.6
99.00883	0.6
101.02447	7.5
113.02441	4.7
119.03481	0.8
139.97632	0.8
161.04556	3.7
208.78348	0.7
210.23494	0.7
213.43996	0.6
243.89151	0.6
253.01071	0.7
389.21890	39.4
449.24432	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.70525	0.4
61.98836	8.5
62.33036	0.5
65.21401	0.4
71.01370	4.4
73.02962	0.7
75.33379	0.4
77.29739	0.4
79.82587	0.4
85.02966	2.3
89.02429	0.9
95.01408	0.5
98.07417	0.5
101.02449	2.8
106.79362	0.5
113.02462	2.7
131.88927	0.6
161.04578	3.2
165.05518	0.6
176.86005	0.5
313.98071	0.5
389.21924	13.1
449.24054	4.4
473.12115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41088	0.9
59.01383	72.6
67.68413	0.8
71.01382	24.2
73.02950	7.2
77.55119	0.9
83.01379	4.2
85.02947	8.7
87.00869	0.8
89.02439	19.7
95.01385	1.6
99.00888	1.6
101.02435	27.3
113.02451	15.7
119.03503	6.2
161.04578	7.2
179.05663	1.0
188.03516	8.4
189.03871	5.4
227.16487	4.1
235.74982	1.0
389.21875	100.0
449.14731	12.8
449.24387	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.24
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
56.26687	0.5
59.01383	100.0
71.01377	2.8
73.02918	0.7
87.49135	0.8
101.02408	2.8
113.02441	4.3
117.20945	0.6
136.90823	0.7
137.51335	0.6
138.00562	0.7
161.04585	1.0
185.45113	0.7
192.04366	1.1
389.21881	13.8
449.24081	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56043	1.8
59.01372	2.7
71.37812	1.6
71.51901	1.8
71.99831	1.7
72.93015	1.6
73.02944	3.5
81.03475	4.1
83.05014	18.0
93.03448	100.0
99.00881	2.2
111.04511	98.4
114.00092	1.7
120.86877	2.0
137.02434	92.4
148.34476	1.9
152.99605	4.0
155.03494	68.4
171.10297	2.6
173.04543	27.8
195.13976	2.1
275.20166	8.6
293.21194	24.6
295.54150	2.0
449.25449	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01608	0.8
55.01879	1.9
57.03458	1.0
59.01103	1.2
59.01381	25.9
64.08671	0.8
68.19360	0.8
71.01376	31.1
73.02928	13.1
76.98366	0.8
83.01385	7.2
84.49992	0.8
85.02947	17.7
87.00884	1.6
89.02422	6.2
90.98580	0.8
91.01974	0.8
95.01376	1.8
96.95999	5.7
97.87045	0.8
99.00859	1.9
101.02432	26.1
108.78704	0.9
109.78014	0.9
111.00875	4.2
113.02440	13.5
159.03015	1.2
161.04550	2.2
162.34720	0.9
173.88663	0.8
233.66280	0.9
270.74088	1.0
287.22226	0.9
350.88104	1.1
393.96304	0.9
413.25507	4.6
449.27673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2766
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
54.32810	0.6
55.01880	2.7
57.03449	1.0
58.66000	0.5
59.01108	0.9
59.01388	20.0
61.49438	0.6
64.94264	0.5
69.03477	1.0
71.01382	22.5
72.99317	1.0
73.02943	11.7
73.95428	0.6
75.00896	0.9
75.30169	0.5
76.02950	0.5
79.99068	0.6
81.03514	0.6
83.01384	7.1
85.02956	13.6
87.00873	1.4
89.02459	3.7
95.01395	2.6
95.36189	0.7
97.02982	0.8
99.00885	3.3
101.01778	0.9
101.02441	25.0
111.00892	2.5
113.02457	11.2
117.05573	3.5
119.03511	0.8
149.02454	1.2
159.02965	0.7
161.04576	1.1
164.04785	0.8
166.06302	0.7
175.15009	0.6
181.08778	0.6
187.09773	0.9
193.45523	0.6
193.52757	0.6
223.06171	2.6
225.07733	0.6
287.22552	1.0
431.27042	0.9
442.37799	0.6
449.27737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2762
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.54722	0.4
59.01109	0.6
59.01385	13.2
59.91558	0.6
62.72615	0.5
64.49444	0.5
64.60692	0.6
71.01373	7.3
71.44847	0.5
73.02943	2.2
77.29216	0.5
83.01380	1.0
85.02948	3.6
87.00838	0.7
89.02430	2.6
93.03459	1.0
99.00888	0.8
101.02448	8.3
111.00795	0.6
113.02433	3.5
119.03508	0.6
138.93524	0.5
150.32942	0.5
154.71623	0.5
158.83861	0.5
161.04588	0.6
173.04512	1.3
191.05579	2.3
269.21249	4.3
287.22305	36.1
320.96558	0.7
389.21707	2.7
431.26544	3.0
449.27643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2763
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
56.00495	0.5
59.01381	11.7
61.98835	1.5
61.99621	0.5
71.01382	6.8
73.02937	3.3
78.95895	1.0
83.01392	1.2
85.02951	3.8
86.76909	0.6
87.00853	0.7
89.02428	4.9
93.56674	0.6
96.95951	0.7
99.00858	0.7
100.01327	0.5
101.02440	9.9
109.76274	0.6
113.02437	4.1
119.03481	0.7
120.04403	0.6
126.49686	0.6
152.99571	3.0
176.88904	0.6
212.00348	0.6
236.38376	0.6
269.21182	8.8
285.20917	0.9
287.22311	49.1
303.62915	0.8
333.08649	0.8
431.26495	1.3
449.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69180	0.8
52.73505	0.8
61.98833	100.0
63.00322	1.0
70.48566	0.9
74.44186	1.1
78.54425	0.9
78.70536	1.1
78.95911	2.4
81.87792	0.9
83.54887	1.1
110.52644	1.1
152.99541	8.1
166.23007	1.0
178.59464	0.9
392.59018	1.3
449.23230	2.3
449.29077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16008	0.5
57.23502	0.4
57.32372	0.5
59.01387	0.6
61.73184	0.5
61.98833	100.0
71.11330	0.6
81.48678	0.5
88.19280	0.6
92.23087	0.7
93.03422	0.7
137.02458	4.1
137.70714	0.6
152.99599	1.1
185.25392	0.7
208.73759	0.6
278.70132	0.6
449.29437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3278
Annotation	(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
52.10625	1.7
57.08334	1.5
62.68945	1.4
71.01392	1.6
71.05045	2.1
79.95744	13.0
90.65726	1.9
94.05534	1.8
99.96698	1.6
100.27158	1.6
100.86916	1.7
101.06069	9.4
127.11277	34.3
141.69278	1.8
152.99596	2.7
153.09207	3.6
171.10265	100.0
179.03870	2.2
193.05423	36.9
221.08577	6.6
249.00500	2.1
277.21671	8.0
295.22842	13.3
361.34747	9.7
387.32559	15.2
403.32089	1.9
405.33737	16.6
412.80838	2.1
449.32813	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3274
Annotation	(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
57.03458	1.6
59.01385	9.7
71.01380	5.0
71.05017	0.9
76.10490	1.1
78.95907	2.4
85.67577	0.9
94.52863	1.1
103.88261	1.0
107.02496	1.7
107.32324	1.1
121.05183	1.2
127.11310	13.3
137.23900	1.2
139.15259	1.0
152.99574	9.7
153.09180	3.9
154.41612	1.0
170.85544	1.0
171.10281	40.2
179.03781	2.0
277.21793	5.0
295.22876	8.3
318.60376	1.1
322.89639	1.0
329.28867	1.7
331.30060	1.1
333.31717	6.1
339.62534	1.1
345.31821	1.5
359.33499	1.9
377.30618	14.6
387.32840	16.4
389.30740	16.2
405.33896	6.4
432.45496	1.2
449.12527	1.3
449.32770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28822	0.6
53.37600	0.6
53.64986	0.6
56.71716	0.7
57.96463	0.6
58.02971	1.4
74.02473	44.5
78.95883	0.8
82.06630	3.8
82.40113	0.7
84.71154	0.8
92.27404	0.7
103.94715	0.7
109.11482	0.8
126.09253	6.7
129.09277	0.7
143.11903	82.4
152.99590	3.3
180.12518	0.7
187.10878	4.5
231.28374	0.7
289.93756	0.7
336.44385	0.8
346.30978	0.7
374.30695	4.0
405.34937	5.4
449.33942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36945	1.7
53.04432	1.8
58.12064	1.6
59.28097	1.8
63.96252	4.2
71.01375	79.7
71.18231	1.9
79.95730	4.4
92.23215	4.1
96.99275	3.0
110.03059	2.2
115.00365	93.7
156.42538	2.2
158.03705	2.7
158.06151	3.1
159.04480	9.6
160.04025	2.7
187.04062	4.7
188.03545	10.1
214.04910	2.5
305.05624	2.6
316.09872	2.5
332.09262	4.5
334.10764	2.3
362.10446	32.4
388.08325	3.2
406.09448	4.2
450.08350	100.0
450.21799	7.3
464.44092	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
64.30708	0.4
72.99325	0.6
77.84910	0.4
83.01388	16.8
83.05024	1.8
83.26730	0.4
83.27400	0.4
85.02946	1.9
86.33168	0.4
101.97083	0.4
111.04516	0.7
113.02444	100.0
127.00375	1.0
142.98941	0.4
147.17801	0.4
174.00453	0.6
182.61546	0.5
194.48598	0.4
431.43677	0.5
435.95856	0.5
450.09146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70972	3.9
54.06413	3.7
54.86067	4.4
55.14106	3.5
59.01378	8.6
68.99799	19.3
78.02010	4.8
112.03482	4.7
160.04021	9.1
161.02385	7.0
187.03966	6.0
188.03531	55.7
190.05138	49.9
201.05699	6.8
229.01385	7.2
230.02177	5.4
332.09247	7.1
332.18021	5.3
338.47861	6.7
347.08243	6.5
348.08817	8.1
362.10648	6.7
375.07416	11.9
376.08371	62.2
376.19162	5.2
391.10846	10.7
406.13055	100.0
420.07413	8.2
450.12106	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48759	0.9
52.01915	7.8
55.59215	1.0
59.03243	0.9
59.90251	0.8
65.99845	6.6
71.01375	5.3
91.01887	5.7
93.03456	1.9
96.99303	7.0
103.72421	1.1
104.05066	1.0
109.02967	2.5
115.00331	4.7
116.05045	12.0
117.58122	1.2
144.04552	95.5
148.05203	5.1
165.26620	1.5
173.06073	7.3
174.05600	6.0
195.06572	1.7
196.06982	1.2
225.07620	1.5
245.50568	1.4
274.15723	1.4
300.13358	1.5
314.08102	1.3
318.14673	5.5
320.09546	1.9
331.08359	2.1
332.09344	7.8
346.10880	5.5
347.11938	2.7
362.13934	2.6
379.10617	1.9
382.24078	1.3
406.12988	8.8
450.11993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	3.4
56.28333	0.7
71.01375	2.0
77.48775	0.7
78.99637	0.8
79.94650	0.8
86.54139	0.8
90.44032	1.0
96.96034	6.2
98.95580	8.0
115.00361	1.3
123.04508	1.2
127.99304	1.0
130.06618	100.0
131.03717	1.4
141.03468	4.1
143.05000	2.1
159.03325	1.1
159.04474	1.3
160.07681	4.0
174.05609	4.5
190.08752	5.6
211.99168	0.9
302.08374	1.9
304.09882	1.8
317.10428	1.4
318.11316	1.5
332.09299	5.6
347.11810	1.0
362.14063	12.5
406.13135	17.4
450.12057	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	3.2
66.91904	1.8
73.96721	2.0
79.44107	2.0
92.22466	2.4
94.84759	2.1
97.02927	4.0
103.54529	2.0
115.04006	20.3
170.99886	2.3
292.93671	2.4
317.10623	2.6
319.08524	18.8
330.07806	14.5
347.07932	4.5
348.12701	15.8
358.11023	10.0
359.11679	44.4
360.12662	3.0
373.13181	17.7
374.09567	3.5
374.14047	54.9
376.11920	97.6
391.14276	14.2
401.81262	2.3
406.16660	100.0
406.22086	3.8
415.14896	2.3
450.16245	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1959
Annotation	Dysidine
Peak:m/z	Relative Intensity
53.71191	4.0
59.01380	93.1
63.73098	3.3
66.03485	18.3
67.75336	4.0
72.97819	3.5
73.02914	3.6
73.92054	3.7
76.95032	3.7
78.34887	3.7
87.00871	6.7
99.92574	17.6
100.93345	50.1
115.92067	80.9
116.92825	8.0
122.06125	41.7
142.94446	4.5
163.50090	4.2
170.93898	7.8
174.93359	6.1
253.21875	6.2
272.27161	4.4
304.26505	5.3
390.26447	40.8
432.18512	5.3
450.19485	100.0
450.32980	9.7
450.70612	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.6
60.01713	1.9
61.98833	100.0
71.01377	3.9
71.37242	0.8
83.60603	0.9
85.02932	1.1
87.00864	3.6
89.02431	7.0
91.02872	1.7
101.02433	4.5
103.02830	0.9
113.02434	1.2
114.02787	1.2
119.03504	1.2
143.03540	1.4
144.03737	0.9
189.43175	0.9
192.28204	0.8
226.15434	1.0
238.32811	0.9
388.20554	0.9
389.21011	1.8
390.21176	13.6
469.89969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13031	0.6
59.01380	11.9
60.01709	1.3
61.01806	1.3
61.98834	100.0
71.01365	0.6
73.02872	0.6
75.98107	0.6
78.56689	0.6
85.02944	0.9
87.53387	0.6
88.74930	0.6
89.02409	1.0
92.98009	0.6
101.02467	0.9
118.89357	0.7
153.09177	0.8
154.09537	1.3
156.10083	0.9
225.14885	1.1
226.15256	1.4
227.15601	1.1
228.15689	1.0
247.04965	0.9
389.20773	1.3
390.21307	9.7
450.23633	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37082	0.5
57.27578	0.5
59.01382	5.8
61.98835	100.0
65.10625	0.5
67.62184	0.6
71.01373	0.9
72.55616	0.6
73.45170	0.6
77.39947	0.7
79.81110	0.6
89.02453	0.9
96.26386	0.6
108.11167	0.7
151.32771	0.6
157.68701	0.6
164.03578	0.7
226.15160	0.7
390.21677	1.4
450.24646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66767	0.3
61.98816	0.7
78.95896	7.2
79.95258	0.8
79.95725	20.5
80.96503	2.5
83.66136	0.3
92.23222	0.3
96.95993	5.5
96.96947	0.4
97.47238	0.3
118.67878	0.3
127.11311	0.5
136.03101	0.3
141.12845	1.8
152.98444	0.6
152.99586	7.7
153.99893	0.7
157.12328	2.1
162.36488	0.3
165.97096	0.3
167.14427	0.8
171.00621	2.9
193.09056	0.6
207.07050	1.5
211.13416	2.5
221.08528	100.0
228.16028	12.7
229.14401	0.8
282.04974	0.7
292.12253	2.1
306.13843	0.5
422.25497	0.5
430.93649	0.4
450.25598	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.0
69.94172	0.8
78.95898	10.0
79.95724	32.7
79.96178	1.3
80.96518	4.1
82.45068	0.7
84.30571	0.8
96.96004	13.9
96.96950	1.4
141.12833	0.8
152.99588	12.2
153.99907	1.8
157.12315	13.0
171.00618	1.6
200.12935	1.0
211.13422	1.6
221.08527	100.0
228.15953	11.4
229.14455	1.3
292.12241	33.6
424.79401	0.9
450.23642	6.6
450.29868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16491	0.5
60.33869	0.5
69.55246	0.5
78.95895	8.4
79.75344	0.5
114.82674	0.6
132.19165	0.6
140.01169	4.9
140.64296	0.6
152.99582	2.4
182.87128	0.7
196.03798	10.5
214.04716	2.1
237.30368	0.6
253.21745	100.0
332.13821	0.8
355.47708	0.5
450.26343	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59523	0.4
74.99332	0.5
78.95904	2.7
79.33971	0.4
79.77730	0.4
92.22502	0.7
140.01169	2.0
152.99559	1.1
196.03745	0.7
214.04865	2.2
253.21744	100.0
268.70166	0.4
352.69836	0.5
450.26324	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99479	0.4
61.98836	1.4
62.16786	0.4
63.43964	0.5
69.03151	0.5
78.95903	100.0
96.96944	9.0
96.97391	0.5
100.07387	0.5
150.98094	0.8
152.99590	45.4
153.99950	3.0
171.00647	43.2
204.10025	0.6
204.24620	0.6
205.56851	0.7
234.09218	0.7
376.22751	3.7
450.26462	72.0
456.49600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2632
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
54.77959	0.5
59.63747	0.5
60.37129	0.5
66.47962	0.7
67.17342	0.6
78.95902	100.0
85.53310	0.6
92.22663	1.2
96.96947	7.8
101.76312	0.6
117.57036	0.7
152.99593	42.7
153.99954	0.7
171.00642	43.4
194.79744	0.5
245.81781	0.6
251.46364	0.5
282.94949	0.6
285.48935	0.6
376.22653	4.0
427.86926	0.7
450.26407	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67112	0.5
54.27406	0.4
61.57930	0.5
61.98831	100.0
63.46158	0.5
65.97453	0.4
78.95919	2.6
79.82627	0.5
87.91052	0.5
121.66019	0.5
128.87727	0.5
152.99588	5.9
153.99992	0.5
208.97235	0.4
223.19685	0.6
280.72412	0.5
450.27570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53391	0.4
55.31496	0.4
59.01384	0.4
61.98831	100.0
66.59957	0.4
78.95895	1.1
100.69179	0.4
110.08403	0.5
149.23389	0.5
152.99585	2.2
196.74052	0.5
226.20976	0.5
241.80679	0.5
450.27505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32513	0.8
59.01384	100.0
66.03488	16.5
73.02948	5.6
77.20208	0.9
92.05075	1.7
106.67349	0.9
109.60069	1.3
110.02460	8.0
119.25623	0.9
122.06116	37.0
136.04086	1.8
140.26140	1.0
146.38553	0.9
166.05005	1.0
253.21773	4.7
277.21823	1.6
278.22067	1.6
390.26578	49.4
398.91708	1.0
450.28452	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02948	2.8
65.74308	2.6
71.05020	4.4
92.22477	3.4
99.68670	3.1
113.04449	3.7
116.07151	7.5
117.05576	21.6
122.75060	3.2
126.52946	2.9
151.26181	3.3
153.47580	3.0
160.09813	19.4
165.58432	4.4
172.09782	15.1
253.21446	4.6
282.25092	3.3
414.32230	100.0
450.30124	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42436	0.3
51.44428	0.2
54.63587	0.3
59.01372	0.5
68.16149	0.3
71.01355	0.3
74.93786	0.3
76.02298	0.3
76.71037	0.3
85.02937	0.5
92.22538	0.4
93.03477	0.3
96.96012	3.3
96.96957	0.7
113.02397	0.4
123.21430	0.3
133.02948	0.6
134.03711	0.3
135.04543	0.4
135.09885	0.3
161.02480	2.2
173.04486	0.4
179.03427	0.6
191.05620	100.0
203.07172	0.4
216.98177	0.4
229.14496	0.3
260.97089	1.9
289.07077	1.3
353.08817	26.0
354.77710	0.4
389.01688	1.5
399.18945	0.3
426.28439	0.3
451.06238	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91271	0.5
59.01383	6.4
59.40970	0.5
71.01373	2.8
76.19803	0.5
78.95906	4.7
82.83899	0.5
86.87568	0.5
87.00891	0.6
89.02441	7.0
93.03426	5.6
96.96954	5.1
101.02444	6.5
102.63979	0.5
111.04498	2.2
113.02457	2.2
119.03484	3.5
137.02443	0.9
155.03502	2.2
173.04544	34.0
188.00661	0.5
191.05577	2.3
220.70482	0.6
221.08090	0.5
259.02237	4.2
353.10925	100.0
420.47687	0.6
451.08835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66174	0.4
57.73381	0.4
59.01382	30.4
61.98832	32.5
67.01888	0.6
71.01373	8.3
73.02953	4.7
75.00891	1.1
85.02944	3.1
87.00851	1.2
89.02436	8.0
92.22529	0.7
93.03454	5.4
95.01381	0.6
101.02444	5.6
101.76889	0.5
104.25574	0.5
109.02928	1.1
111.04498	1.0
113.02444	4.4
119.03487	2.8
135.04541	8.4
137.02437	0.9
146.71262	0.5
153.01939	3.1
153.05528	1.0
155.03487	0.7
159.96327	0.5
161.02452	2.2
161.06024	1.0
173.04546	19.1
179.03519	5.3
186.30205	0.5
187.13406	2.2
188.04787	0.7
189.09242	0.9
191.05624	100.0
195.03012	2.2
205.05051	13.0
217.05127	1.1
233.08252	5.1
245.06613	2.5
255.05225	0.7
277.07297	3.5
289.20285	0.7
315.10834	0.8
324.71967	0.5
331.17630	3.6
349.18634	2.9
353.08835	8.6
391.19760	16.4
451.12524	56.4
451.25494	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05027	0.8
50.13754	1.1
59.01372	2.3
59.82672	1.0
61.98827	5.3
71.01387	1.4
71.81030	1.1
73.16591	1.0
85.02968	1.3
88.67945	1.0
93.03472	10.3
111.04545	2.1
135.04529	27.2
137.02409	1.5
155.03497	5.7
173.04546	100.0
179.03506	41.7
191.05640	32.0
201.60455	1.1
205.05042	5.5
231.06470	1.1
233.08133	8.6
277.07080	1.1
342.81622	1.0
353.08841	27.2
398.68768	1.1
423.50128	1.2
451.12546	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
61.98821	2.6
67.01871	0.8
71.01387	4.2
78.39594	0.5
79.78726	0.5
83.69473	0.6
85.02930	3.2
89.02452	1.3
92.54028	0.6
93.03450	11.1
93.94747	0.5
101.02463	0.7
102.33008	0.6
111.04509	3.3
135.04518	28.0
137.02443	5.0
147.04527	1.2
155.03531	4.6
161.02409	0.9
161.06036	0.6
173.04544	100.0
179.03503	41.6
191.05620	31.1
205.05060	7.9
233.08170	5.7
353.08826	37.0
357.84695	0.6
451.12524	39.7
451.25580	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
60.40678	0.4
64.59920	0.4
69.19582	0.4
71.01370	1.9
73.02937	0.4
75.00865	0.7
85.02951	0.9
87.00895	0.7
87.68161	0.4
89.02438	1.9
93.03471	3.3
93.16502	0.4
101.02444	0.8
111.04530	0.7
113.02404	0.6
119.03487	0.5
123.04507	2.6
135.04526	2.0
142.68193	0.4
148.04897	0.4
153.05582	6.1
158.21568	0.4
161.02454	2.2
161.06094	0.7
173.04533	9.0
179.03516	1.8
191.05632	100.0
203.08359	0.5
205.05072	8.4
215.12843	0.5
238.69662	0.4
245.06789	0.6
315.10852	1.9
349.18555	0.6
353.08905	5.6
391.19827	2.5
413.14621	0.6
451.12561	33.8
451.17758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35429	1.2
59.01377	6.3
60.99313	2.0
66.16328	1.4
68.69534	1.4
71.01376	11.2
74.75465	1.4
83.92233	1.5
84.33961	1.5
85.02951	15.4
87.00874	2.2
88.98813	18.4
89.02438	57.4
93.03433	2.9
99.00888	1.9
110.52345	1.4
111.04538	3.7
111.53713	1.5
135.04526	86.2
147.04532	10.1
155.03500	2.9
160.45341	1.4
161.02495	2.2
166.39726	1.4
173.04521	20.3
179.03513	64.5
191.05635	79.6
191.18225	1.6
205.05139	16.8
233.08179	42.0
244.54706	1.6
277.07251	8.6
330.41525	1.7
340.36163	1.4
353.08859	26.1
368.98703	1.5
451.06161	3.7
451.12521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90047	0.8
56.23503	0.8
61.27134	0.9
71.01379	5.0
76.94334	1.0
79.27625	1.0
85.02940	12.1
86.05694	0.9
86.39562	1.0
93.03454	7.2
111.04504	2.0
122.44532	1.1
135.03485	2.1
135.04523	64.6
147.04506	6.4
155.03473	5.2
161.02464	4.0
161.06187	1.9
173.04535	13.1
179.03500	50.0
191.05627	75.9
196.44756	1.0
205.05090	17.1
233.08171	31.9
245.06683	3.9
256.11935	1.3
277.07184	5.1
302.38132	1.2
353.08813	26.1
451.12537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.0
67.04743	0.6
71.01386	1.8
71.19192	0.7
85.18532	0.7
85.92786	0.8
87.00867	1.1
93.03448	9.4
111.04514	2.6
135.04533	27.2
137.02452	3.0
140.99847	0.8
147.04547	0.9
155.03516	5.2
161.02509	2.8
173.04552	100.0
177.14211	0.7
179.03513	44.0
185.98380	0.8
191.05637	45.6
205.05069	7.9
233.08208	6.2
277.07175	1.5
308.18445	0.8
353.04489	1.3
353.08826	40.4
423.77615	0.8
451.12537	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38836	0.2
58.03574	0.3
59.01391	1.1
60.18787	0.3
71.01367	0.5
85.02940	1.7
89.02458	0.3
99.00853	0.3
101.02364	0.4
113.02444	100.0
132.02203	0.3
134.03745	0.6
158.55763	0.4
160.01643	4.0
175.04008	6.9
193.05089	0.6
298.90573	0.3
336.61713	0.3
337.09448	0.7
391.23462	0.5
451.26041	0.3
461.23663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80153	1.7
55.62721	1.6
56.91957	1.9
59.01394	19.8
67.27178	1.8
71.01375	15.3
73.02956	3.2
89.02439	23.7
99.00876	34.3
101.02419	8.1
113.02444	16.1
119.03493	2.1
136.80722	2.1
149.04568	8.3
173.04547	2.4
191.05611	16.4
357.38638	1.9
415.16190	100.0
451.13828	34.2
451.20856	3.2
467.13019	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
73.02943	18.6
83.05019	5.0
85.02928	4.0
93.03447	39.7
99.00883	6.6
99.04485	6.7
104.38995	0.9
109.16497	0.8
111.04506	25.3
115.00380	0.8
129.01970	1.8
137.02441	19.2
137.28102	0.7
143.03525	2.9
155.03484	13.1
173.04543	100.0
176.84691	0.8
191.05586	2.7
344.24716	0.9
353.11111	1.1
451.14398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.3
59.23779	1.0
62.11071	0.8
65.79699	0.7
67.01890	2.4
71.01371	8.5
73.02942	5.6
78.90329	0.9
80.49191	0.8
82.60915	0.9
83.01370	1.2
83.62437	0.8
85.02943	4.8
85.05576	0.9
89.02436	5.8
93.03459	1.1
101.02438	17.4
111.00869	100.0
113.02435	5.1
113.48237	0.9
143.03444	1.5
161.04530	7.7
173.04538	1.7
184.51834	1.0
191.05641	1.1
207.08772	26.0
246.37044	1.0
272.60919	1.0
277.08240	1.9
339.12982	46.6
391.23523	2.4
451.14529	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10234	0.7
51.51440	0.7
59.01386	17.0
71.01387	7.1
73.02946	14.5
81.03440	0.9
83.05026	5.6
85.02948	3.7
89.02431	12.8
90.39447	0.7
93.03449	34.3
99.00871	4.7
99.04533	5.1
101.02396	6.3
111.03767	1.3
111.04516	29.4
113.02422	4.7
115.04011	6.9
119.03481	4.7
125.59391	1.0
129.01956	2.0
137.02452	16.5
143.03506	8.5
155.03505	13.3
161.04530	1.4
173.04552	100.0
179.05611	13.8
185.11198	0.9
277.47299	1.0
293.05899	1.1
293.09421	1.0
319.85034	1.0
390.49411	1.0
398.45667	0.9
451.14706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21743	1.2
58.85571	1.3
59.01381	24.9
71.01379	11.2
73.02950	12.8
83.05030	3.1
83.17103	1.4
85.02928	5.1
86.10142	1.4
87.00858	3.0
89.02439	14.8
93.03448	53.5
99.00878	7.3
99.04538	6.3
101.02444	10.4
111.00883	11.5
111.04517	30.6
113.02441	3.2
113.19431	1.5
115.04012	13.6
119.03493	6.7
137.02452	13.0
143.03523	3.2
155.03477	16.6
173.04549	100.0
179.05597	13.8
191.05623	9.1
215.10104	1.8
251.52518	1.5
273.84930	1.5
282.50931	1.9
342.19208	1.7
353.10907	9.5
374.75562	1.8
435.73752	1.6
444.73172	1.6
451.14609	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92544	1.0
59.01395	10.1
59.48178	1.0
60.99311	6.9
62.74736	1.1
71.01391	4.5
85.02888	1.3
87.00855	1.5
88.98798	47.4
89.02439	100.0
99.00927	1.3
101.02431	1.9
102.43696	1.1
111.65259	1.0
113.02388	1.6
194.97250	1.3
274.94424	1.2
281.12170	1.3
308.92255	1.3
358.27753	1.2
374.42383	1.3
391.23471	2.6
402.16077	1.3
431.39783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89971	0.3
57.60226	0.3
57.97578	0.3
59.01383	0.4
62.37293	0.3
62.80609	0.3
62.96070	0.3
63.50814	0.3
71.01382	0.5
85.02944	1.8
89.02435	0.4
113.02445	100.0
124.60221	0.3
132.71539	0.3
133.05089	0.4
135.04501	3.4
155.03572	0.5
165.75977	0.5
173.04633	1.1
179.03532	4.8
191.05623	1.7
205.05116	1.7
233.08321	1.2
233.11407	0.3
271.37546	0.3
275.07605	0.4
277.07175	0.6
293.08987	0.4
391.12595	0.5
451.12598	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1617
Annotation	[1aR-(1aR*,5R*,7S*,10aS*,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione
Peak:m/z	Relative Intensity
59.01381	11.7
70.13196	0.6
71.01373	4.2
71.82555	0.6
73.02949	9.4
85.02948	1.0
89.02444	2.6
91.19060	0.6
98.16402	0.6
101.02455	6.0
113.02419	2.5
117.03453	13.1
118.04248	4.8
119.05019	6.3
121.02949	4.1
134.03761	0.8
145.02951	100.0
156.52586	0.6
162.03282	1.0
163.04010	6.2
185.09651	1.0
409.15115	0.7
451.16159	62.1
473.57654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94360	1.0
58.87787	0.8
59.01360	1.3
61.72072	0.8
65.66613	0.8
69.27120	0.8
78.95899	100.0
81.88155	0.9
89.65776	1.0
96.96938	6.5
101.88297	0.9
107.98219	1.0
108.11527	0.9
121.91171	1.1
152.99576	98.7
171.00655	1.7
228.19728	1.4
253.18011	9.0
403.02063	1.2
451.17365	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1744
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
51.73357	1.2
56.03123	1.3
59.31632	1.3
60.90741	1.5
60.99713	1.3
62.28102	1.4
71.97656	1.4
78.95901	99.7
96.96954	7.2
103.85572	1.6
116.58871	1.4
152.99580	100.0
171.00710	2.0
251.41373	1.8
253.18155	2.8
321.48169	1.7
451.17432	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1744
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
53.64307	0.7
55.81631	0.6
57.56004	0.6
68.80437	0.8
69.22352	0.7
71.01359	0.7
77.12559	0.7
78.95901	100.0
85.02972	0.9
91.53224	0.7
96.96918	5.1
98.38424	0.7
133.02931	1.4
134.03748	5.8
134.57011	0.7
152.99582	46.6
227.51582	0.9
243.13901	6.0
253.18013	4.4
261.15009	10.7
271.13342	7.7
289.11581	1.2
289.14502	26.6
290.40442	0.8
451.17331	59.5
451.28757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1799
Annotation	Ambiguine D isonitrile
Peak:m/z	Relative Intensity
55.36743	1.2
55.80072	1.1
62.93333	1.2
68.42877	1.1
69.75257	1.2
74.23419	1.2
78.95921	1.9
92.22438	2.6
99.92564	2.7
100.93357	43.3
111.08181	2.3
115.92067	100.0
116.92860	10.7
150.01945	1.6
152.99576	3.1
172.95435	2.9
204.47971	1.3
219.05070	1.5
248.15425	1.5
248.76422	1.4
269.24780	9.3
404.79572	1.6
433.16986	7.2
451.18167	28.8
451.28192	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
62.38170	0.6
73.28123	0.6
75.81345	0.6
87.00871	3.7
88.04038	1.5
88.98800	1.2
89.02439	100.0
92.23111	1.0
153.05576	1.0
156.53908	0.7
186.49049	0.7
221.62468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72231	0.4
59.01379	2.1
69.62103	0.5
84.90350	0.5
87.00873	4.5
88.01202	0.5
88.04000	0.6
88.98814	3.1
89.02439	100.0
92.22535	0.5
101.02419	0.5
111.00856	1.1
121.07468	0.4
134.99124	0.4
185.88313	0.5
262.59802	0.6
283.45557	0.6
448.03180	0.5
451.10867	0.8
451.22040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1982
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
54.02334	0.7
59.01383	100.0
61.73785	0.8
66.74976	0.7
73.95193	0.9
89.02456	4.7
91.11508	0.7
98.51539	1.0
103.56919	0.8
108.76620	0.8
126.72527	0.8
149.47717	0.8
160.70238	0.9
164.86887	0.8
166.06342	4.6
181.08736	4.0
195.04962	1.1
273.00443	1.2
284.09973	0.9
372.84149	0.9
430.02457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2112
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
52.16367	3.0
57.08297	3.1
59.01368	18.2
65.07918	3.4
65.90945	3.6
71.01384	5.3
76.17945	3.9
80.78329	3.5
81.25056	3.8
104.43288	3.3
145.02942	45.8
182.22498	4.9
202.55464	3.6
211.18985	4.3
451.21097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95073	0.8
59.01379	1.2
62.05143	0.8
63.00320	0.9
63.83963	0.7
65.31651	0.8
71.01375	1.5
71.81975	0.8
79.95728	29.5
79.96177	1.4
80.96503	8.4
96.95995	16.5
101.02454	2.1
113.02456	0.9
113.20925	0.8
125.09721	9.0
128.70686	0.8
139.11302	5.5
152.44415	0.8
153.12895	1.3
153.57945	1.0
157.98419	0.9
168.54965	1.1
170.11925	2.1
182.11916	1.2
183.10301	4.6
184.13518	1.7
186.11359	49.3
197.11835	1.7
200.12939	62.5
215.12868	4.5
222.08025	3.5
250.07565	100.0
264.09131	81.3
266.07126	1.4
280.08725	0.9
287.93787	0.9
451.21490	10.5
451.29193	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83625	1.0
59.01381	100.0
71.01380	24.0
73.02934	10.4
75.00868	1.7
83.01370	1.4
85.02940	12.7
87.00851	2.8
88.39587	1.0
89.02426	18.1
93.03449	10.5
99.00854	1.5
99.58601	1.1
101.02453	16.8
104.85725	1.0
111.04475	2.8
111.83229	1.3
113.02441	14.2
118.10872	1.0
119.03498	6.7
130.54707	1.1
130.72704	0.9
135.03496	1.6
135.04521	32.8
136.34570	1.2
143.07133	1.5
147.04514	2.5
161.04552	4.3
173.04555	22.3
179.02107	1.7
179.03502	24.0
187.13368	8.4
191.04002	2.3
191.05629	44.8
205.05066	2.7
233.08194	16.3
277.07260	4.6
283.07983	1.1
298.30966	1.3
331.17685	14.9
349.18665	11.1
353.08862	10.3
371.00647	1.8
391.19730	66.6
391.24496	2.6
404.66083	1.2
446.49573	1.3
451.06253	1.7
451.12500	53.7
451.25610	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83625	1.0
59.01381	100.0
71.01380	24.0
73.02934	10.4
75.00868	1.7
83.01370	1.4
85.02940	12.7
87.00851	2.8
88.39587	1.0
89.02426	18.1
93.03449	10.5
99.00854	1.5
99.58601	1.1
101.02453	16.8
104.85725	1.0
111.04475	2.8
111.83229	1.3
113.02441	14.2
118.10872	1.0
119.03498	6.7
130.54707	1.1
130.72704	0.9
135.03496	1.6
135.04521	32.8
136.34570	1.2
143.07133	1.5
147.04514	2.5
161.04552	4.3
173.04555	22.3
179.02107	1.7
179.03502	24.0
187.13368	8.4
191.04002	2.3
191.05629	44.8
205.05066	2.7
233.08194	16.3
277.07260	4.6
283.07983	1.1
298.30966	1.3
331.17685	14.9
349.18665	11.1
353.08862	10.3
371.00647	1.8
391.19730	66.6
391.24496	2.6
404.66083	1.2
446.49573	1.3
451.06253	1.7
451.12500	53.7
451.25610	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	91.1
61.98830	1.3
67.62505	1.0
71.01371	15.6
73.02944	8.3
85.02950	4.8
88.61146	1.0
89.02449	10.3
93.03457	2.7
101.02440	14.0
110.47231	1.1
111.04543	1.8
113.02438	12.7
119.03492	2.5
135.04503	8.4
155.03513	1.3
157.09412	1.2
157.77362	1.0
158.65616	1.2
161.02414	2.3
161.04570	2.4
161.05984	1.3
173.04565	18.4
173.05919	1.8
179.03503	7.0
187.13397	6.5
191.05637	100.0
205.05070	2.3
211.96352	1.3
217.05127	1.9
233.08257	5.6
277.07187	6.5
331.17792	13.6
349.18808	8.5
353.08740	7.2
371.18762	1.3
378.30334	1.2
391.19809	64.5
451.12515	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03443	1.2
59.01385	44.0
59.01686	1.4
62.44355	0.7
69.87329	0.6
71.01381	16.3
73.02941	14.6
83.01378	3.0
83.27276	0.8
85.02942	8.2
87.00826	0.7
89.02439	4.7
92.22509	0.9
94.44847	0.7
95.01373	0.8
99.00870	6.0
101.02442	28.9
113.02441	12.1
125.02428	1.2
131.03468	0.9
143.03519	2.6
144.82146	0.6
159.02989	3.7
161.04581	10.3
230.43121	0.7
259.15524	2.7
277.16605	18.6
313.98672	0.8
319.17618	3.1
409.20837	15.3
451.21909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
58.11128	1.4
59.01381	77.3
59.62967	1.4
65.75606	1.5
69.03471	1.9
70.11983	1.6
71.01374	38.0
72.99297	1.9
73.02935	16.1
74.41908	1.5
83.01398	8.3
85.02943	22.6
87.00864	4.3
89.02442	9.7
95.01381	3.1
97.02943	8.1
98.67068	2.4
99.00882	9.9
101.02438	43.3
101.57046	1.7
105.23706	1.7
111.00867	1.7
111.04573	2.1
113.02443	45.5
115.56514	2.0
125.02486	3.3
145.02936	9.6
147.36795	1.8
159.02969	2.0
159.85925	1.7
161.04495	14.8
173.04590	3.3
191.05751	2.3
274.20300	1.8
277.16577	29.2
319.17606	2.3
391.14682	3.0
391.19803	93.4
409.20834	100.0
414.27536	2.3
451.15884	3.5
451.21466	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	91.1
61.98830	1.3
67.62505	1.0
71.01371	15.6
73.02944	8.3
85.02950	4.8
88.61146	1.0
89.02449	10.3
93.03457	2.7
101.02440	14.0
110.47231	1.1
111.04543	1.8
113.02438	12.7
119.03492	2.5
135.04503	8.4
155.03513	1.3
157.09412	1.2
157.77362	1.0
158.65616	1.2
161.02414	2.3
161.04570	2.4
161.05984	1.3
173.04565	18.4
173.05919	1.8
179.03503	7.0
187.13397	6.5
191.05637	100.0
205.05070	2.3
211.96352	1.3
217.05127	1.9
233.08257	5.6
277.07187	6.5
331.17792	13.6
349.18808	8.5
353.08740	7.2
371.18762	1.3
378.30334	1.2
391.19809	64.5
451.12515	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2473
Annotation	20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Peak:m/z	Relative Intensity
56.74858	0.4
59.01374	0.7
61.98833	1.8
67.79121	0.4
74.66866	0.5
78.95902	41.4
92.22815	1.9
96.95995	0.8
96.96963	4.3
101.31556	0.5
119.42155	0.5
120.96603	0.5
150.97998	1.2
152.99585	100.0
159.78766	0.6
171.00674	1.2
181.43263	0.6
184.11914	0.5
222.82124	0.5
279.23425	0.6
297.24338	2.4
309.05811	0.5
384.23819	0.6
451.24683	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14331	0.3
59.01375	0.4
63.51638	0.3
69.85032	0.3
70.21275	0.3
78.95902	27.3
84.48087	0.3
85.30782	0.3
96.96941	3.7
150.98068	1.5
152.99590	100.0
171.00658	3.5
203.20349	0.4
274.55695	0.4
297.24347	0.8
451.24728	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2494
Annotation	Celastranhydride
Peak:m/z	Relative Intensity
52.23860	1.2
57.09364	1.0
57.28339	1.1
79.13381	1.3
84.05627	1.3
187.07643	5.9
197.09892	1.5
211.07648	2.5
213.09221	5.7
215.07034	1.7
227.10841	15.2
239.10788	2.6
240.11575	8.5
241.12303	6.3
242.13116	14.5
253.12376	9.7
255.13803	12.6
267.13916	3.5
270.12418	1.8
281.11856	2.2
283.13379	2.8
283.26410	8.0
295.13623	4.3
295.17050	23.3
308.17993	3.5
309.18494	2.9
310.19385	30.4
324.20926	2.1
338.18921	6.6
379.26486	100.0
389.30841	14.5
407.25919	40.0
412.52661	1.7
451.24908	53.1
451.30673	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.71968	0.8
71.01387	5.0
73.02944	1.0
81.89172	0.9
83.91315	0.9
85.02950	1.4
89.02435	4.2
94.18201	1.0
101.02435	6.9
105.17239	0.9
113.02470	2.1
161.04544	1.6
197.53061	1.0
218.95709	1.1
236.38014	0.9
391.23456	19.3
404.56683	1.0
430.48511	1.2
451.26584	10.0
474.83496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.1
61.98837	26.4
62.84459	0.7
63.90161	0.7
70.78596	0.7
71.01379	27.3
73.02947	13.9
83.01386	3.1
85.02937	9.4
87.00884	3.4
87.04514	1.4
89.02440	22.8
93.03437	3.6
95.01398	1.6
99.00833	3.9
101.02440	20.1
102.75569	0.9
103.03993	1.3
113.02454	13.5
117.25864	0.7
119.03494	7.4
124.52209	0.8
138.19604	1.0
143.03453	0.9
143.07098	8.3
147.11819	1.7
159.02939	1.0
161.04628	2.7
161.05911	0.9
173.04599	4.3
179.03587	1.6
179.05670	0.8
191.05620	8.0
205.05028	1.5
217.05031	1.1
221.12549	1.0
233.08188	0.9
269.77689	1.0
289.20154	6.2
349.18716	0.9
361.14560	0.9
391.19806	3.8
422.69901	1.0
451.12558	8.8
451.25580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29105	1.1
51.56514	1.1
54.75557	1.0
59.01382	93.3
59.88544	1.0
61.71331	1.0
65.86037	1.1
71.01382	26.2
72.99306	1.3
73.02946	9.1
75.00900	1.6
83.01391	2.1
85.02955	9.2
87.00856	2.2
88.98785	1.4
89.02445	22.4
99.00844	2.7
101.02439	26.3
109.02955	2.4
111.00897	1.7
113.02454	16.1
119.03479	3.1
137.02464	1.9
151.76105	1.2
154.64127	1.4
159.02988	1.7
161.04544	8.5
211.38539	1.3
279.96768	1.6
391.23450	100.0
451.12411	5.5
451.26047	16.4
464.86932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01379	7.4
72.99381	0.6
73.02946	3.3
85.02951	3.5
89.02443	6.6
89.54406	0.6
98.76012	0.6
101.02419	4.8
113.02451	3.7
119.03468	1.3
135.04549	1.4
161.04550	3.1
179.03412	1.0
191.05600	3.0
225.04935	0.6
229.18199	1.0
391.19147	1.2
391.23550	21.4
403.17630	1.0
446.43237	0.8
451.12671	3.9
451.19965	2.4
451.25555	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37799	0.7
59.01382	100.0
61.98830	9.1
71.01376	19.2
73.02939	8.2
75.00887	6.5
77.25934	0.7
77.48035	0.9
83.01386	3.8
84.55239	0.7
85.02931	8.2
89.02425	6.7
95.01366	0.9
99.00871	3.2
99.04518	1.0
101.02441	21.0
105.87364	0.9
113.02441	13.0
119.03474	1.6
159.03000	1.9
161.04591	6.8
172.26691	0.9
173.04503	1.3
176.90388	0.9
187.75035	0.9
229.18111	3.1
261.09607	1.1
391.23434	82.3
433.20786	1.9
451.21234	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27615	1.1
55.38833	1.2
57.97010	1.1
59.01383	94.6
61.98814	1.5
71.01372	30.1
73.02937	7.3
83.01388	1.5
85.02943	13.4
89.02437	19.6
95.01410	1.5
99.00864	3.0
101.02442	28.9
113.02447	16.0
115.60295	1.2
119.03519	2.3
129.19363	1.4
145.02957	1.6
159.02997	2.3
161.04601	11.8
161.05763	1.7
166.80016	1.5
179.05566	2.0
191.05560	1.7
194.14476	1.4
213.69249	1.6
369.72885	1.4
381.13681	1.2
391.23434	100.0
419.00684	1.7
451.16324	19.8
451.20966	2.3
451.25626	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	68.9
63.43997	1.0
71.01379	17.7
73.02948	5.3
74.74339	0.9
83.01366	1.0
85.02959	5.8
87.11651	1.3
89.02428	9.7
99.00877	1.3
101.02430	21.2
107.18561	1.1
112.01242	1.0
113.02450	25.0
114.02789	5.4
115.02920	1.6
119.03473	2.4
131.07109	10.3
147.39697	1.0
161.04572	2.6
180.97676	1.1
186.12344	1.2
188.38101	1.0
298.39230	1.2
391.23422	100.0
451.11200	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00376	0.8
59.01386	11.3
60.91404	0.8
61.98816	0.9
71.01382	7.2
73.02942	4.1
78.95871	0.9
81.10378	0.9
83.01372	1.5
85.02936	7.0
89.02427	5.0
95.01393	1.1
96.95996	4.9
99.00857	1.6
101.02446	13.8
103.82623	1.0
113.02441	5.2
120.99625	0.9
145.74577	1.0
243.19568	3.5
271.19107	1.9
273.00186	1.4
286.17044	1.0
289.20212	6.4
405.24896	1.4
407.20844	1.3
433.24103	6.5
451.15753	3.3
451.20251	5.4
451.25534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
62.00391	0.9
70.39648	1.0
114.64795	1.0
120.09540	0.8
147.65141	1.0
152.99521	1.2
205.97986	1.0
277.21686	7.3
279.23172	1.6
280.23648	2.1
329.75516	1.1
451.34348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80161	1.6
65.03964	1.8
69.03465	2.3
78.95901	2.4
80.62521	1.6
81.03471	2.6
83.05033	11.8
93.02866	3.3
93.03452	86.2
95.01312	1.8
96.02158	2.3
111.04507	49.8
137.02440	100.0
139.42163	1.9
152.99582	6.4
153.01944	9.8
155.03497	62.2
171.10291	12.9
174.99242	10.7
262.61343	1.8
277.21652	19.0
286.19107	2.2
295.22830	26.5
297.87622	1.7
309.11075	1.8
391.17966	29.6
415.24890	7.4
451.27115	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15349	0.5
59.01374	0.9
70.51228	0.6
73.54113	0.5
78.95941	0.6
93.03452	2.5
111.04497	3.6
130.54881	0.6
152.99583	2.2
155.03513	4.3
156.48912	0.6
173.04538	6.3
228.93492	0.5
255.23410	0.5
270.58121	0.6
277.21753	100.0
424.78918	0.7
451.27148	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2704
Annotation	Briarellin P
Peak:m/z	Relative Intensity
53.56847	0.8
59.01373	1.9
60.99298	5.1
61.98834	4.6
66.37774	0.9
67.01895	9.8
69.03448	1.5
71.01363	2.5
78.95866	1.2
81.03458	1.1
83.05024	1.1
85.02940	1.7
86.03595	0.8
87.00867	23.1
89.61487	0.9
93.03444	84.0
99.04527	1.2
110.48148	0.9
111.04523	16.4
113.02398	1.2
129.01880	1.1
133.17622	1.0
152.99574	4.1
155.03520	2.2
169.42265	1.1
172.09723	1.6
173.04547	28.7
191.05605	18.5
193.96228	1.0
212.29654	0.9
275.46356	1.0
277.21741	10.1
286.34607	1.1
391.17886	2.5
401.28870	1.5
441.48886	1.4
451.27063	100.0
459.88947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46489	0.3
52.93389	0.3
54.89537	0.3
57.81588	0.3
59.01373	2.0
62.63757	0.3
63.14080	0.3
67.01891	3.2
69.03462	0.5
71.01385	2.4
93.03454	20.0
100.70940	0.4
101.96932	0.4
109.02908	0.4
111.00877	0.6
111.04505	5.7
119.98063	0.4
132.69818	0.4
137.02458	6.0
141.35181	0.4
152.99692	0.5
155.03529	4.9
173.04550	100.0
199.64331	0.4
200.76306	0.4
232.24294	0.4
277.21756	21.8
385.93658	0.4
420.02026	0.5
451.27051	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	5.0
80.60036	2.0
80.62623	2.4
83.01398	2.4
83.84258	2.2
93.03451	92.2
109.53285	2.2
111.04501	2.7
227.53725	2.5
267.26962	32.7
287.36786	2.9
363.32758	4.6
407.31738	100.0
407.37170	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	19.1
65.27728	2.0
67.01891	25.3
81.03454	4.1
90.33538	2.0
99.88634	1.8
100.41677	1.9
109.02943	100.0
112.95599	1.9
131.41280	1.8
137.18465	1.8
145.53430	2.0
233.28447	1.9
267.26886	9.8
281.24765	3.3
359.78735	2.0
379.32227	84.1
379.37030	4.4
451.30576	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39351	0.5
54.48111	0.5
57.33132	0.6
61.12325	0.6
62.74776	0.5
65.58592	0.7
109.21507	0.6
112.07681	14.0
113.06091	2.6
129.10349	7.8
130.08725	16.6
131.27136	0.6
133.35065	0.6
144.64128	0.7
153.10341	0.9
207.15039	11.0
222.60109	0.7
224.17717	11.5
225.16100	22.8
242.18758	1.7
281.65683	0.7
283.94855	0.8
320.23563	4.8
337.26172	13.1
338.24625	0.7
358.27548	0.8
433.31900	18.6
451.32962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00991	3.0
71.05019	4.1
83.05019	65.2
121.06580	33.8
125.02393	27.0
126.03237	24.0
127.04028	47.5
139.07649	100.0
212.37233	4.3
281.24969	4.6
281.28418	7.1
289.57529	3.9
341.30579	36.3
360.43637	4.2
407.30472	7.0
407.35355	96.2
445.17734	4.1
451.34256	49.6
453.90506	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91451	0.4
54.68324	0.4
59.01373	0.8
65.08465	0.5
80.61536	0.4
92.22504	0.6
92.23013	0.7
97.94629	0.5
99.92573	4.0
100.93353	32.2
105.76008	0.4
115.92065	100.0
116.92842	3.1
132.92317	0.8
133.39534	0.5
199.53809	0.5
270.27609	0.6
319.05209	0.5
392.23773	0.9
452.04572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42507	0.9
59.51627	1.0
71.01373	31.5
71.01729	1.7
72.99303	6.7
89.02427	1.6
106.60308	1.3
113.04131	1.0
115.00358	76.4
118.80296	1.2
133.01425	100.0
177.05894	1.3
192.25769	1.3
193.24329	1.4
212.99951	1.5
215.63536	1.2
241.67847	1.5
333.96445	1.3
412.38025	1.3
452.09766	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.4
76.56832	0.9
82.06795	0.9
84.03700	1.2
113.61430	1.0
168.64351	1.2
224.77383	1.0
288.03168	6.2
366.07727	4.5
371.08234	1.3
379.04913	1.1
394.07196	60.6
394.12289	1.9
422.06744	100.0
437.09091	24.2
452.11542	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90525	1.7
59.01374	9.3
82.02975	9.0
82.52319	1.5
84.00911	3.0
89.86298	1.5
92.23086	1.9
112.04034	16.0
118.03774	1.9
149.02452	20.2
164.04788	42.6
175.00360	2.6
178.06392	2.0
179.07149	11.6
190.02716	82.1
191.03490	4.1
192.39397	1.7
192.63268	1.9
205.05075	100.0
206.05867	12.4
207.03015	3.3
208.03773	4.3
221.08185	9.6
223.06128	52.6
239.42036	2.0
250.04779	3.4
265.07166	19.2
325.09210	12.0
393.10623	2.6
395.50180	1.8
408.13071	28.4
418.36154	1.9
422.02008	2.1
426.13663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88848	0.5
55.88932	0.6
58.55527	0.6
78.95899	100.0
90.51830	0.7
92.22478	0.9
96.96951	8.2
106.83707	0.7
114.70981	0.7
152.08554	0.6
152.99590	32.5
171.00645	49.7
181.68250	0.7
227.20181	1.4
228.16347	0.7
281.38278	0.9
369.24200	0.8
378.23990	5.1
452.27866	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71920	0.9
61.98833	2.1
74.89717	1.1
78.95901	100.0
94.97916	0.9
96.96943	9.0
152.99586	34.6
171.00638	49.1
207.06226	1.0
214.57280	1.0
219.41545	1.1
244.86583	1.0
270.32513	1.1
378.24170	4.1
452.27872	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70728	1.5
78.95900	100.0
96.96938	7.7
100.98937	1.7
107.43490	1.9
136.96727	2.0
152.99585	33.7
171.00633	45.6
171.40259	1.9
452.27878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14375	0.3
50.81538	0.3
58.01740	0.3
58.52889	0.3
64.44680	0.4
74.35451	0.3
75.18162	0.4
78.95904	2.2
90.92832	0.4
126.32256	0.4
140.01192	1.7
152.99487	0.5
158.41685	0.4
169.17369	0.4
214.04863	1.7
255.23305	100.0
301.71027	0.6
452.27869	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2788
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.22040	0.5
51.22763	0.5
52.79059	0.5
75.27823	0.6
78.95897	7.7
82.70837	0.5
90.75978	0.6
93.32305	0.5
97.80913	0.5
104.89512	0.7
117.77940	0.5
121.04623	0.5
138.90559	0.6
140.01239	4.8
152.99579	1.0
157.75845	0.5
169.65848	0.5
176.43138	0.8
196.03807	9.2
211.19624	0.7
214.04889	2.1
255.23323	100.0
312.15811	0.6
391.90042	0.6
452.27899	51.8
454.63556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
73.05383	0.7
76.06908	0.7
78.95899	100.0
79.89814	0.6
83.14946	0.6
93.03470	0.8
96.96955	7.8
121.60063	0.6
132.71635	0.7
141.23396	0.7
152.99586	29.1
171.00635	47.7
247.96587	0.8
259.12827	0.7
285.92773	0.8
351.61273	0.7
378.24252	6.7
452.27859	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26213	0.6
73.64742	0.7
78.85751	0.7
78.91354	0.9
78.95905	99.2
81.92187	0.8
83.74557	0.7
86.32803	0.7
87.78824	0.8
91.78548	0.7
96.96957	9.0
101.71301	0.8
152.99590	33.8
171.00642	48.6
218.96547	0.8
321.16278	1.0
378.24142	4.8
396.03674	0.9
452.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25845	0.7
70.17162	0.7
70.34515	0.6
71.44440	0.6
75.17831	0.7
78.95902	100.0
79.30880	0.7
96.96957	9.0
111.22636	0.6
152.99593	35.9
171.00642	48.3
231.55542	0.7
378.24081	5.4
452.27835	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2811
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
58.63048	0.6
83.05012	1.1
88.36414	0.6
101.73940	0.6
102.99778	0.6
109.69685	0.6
124.00412	0.7
126.56027	0.5
140.07181	33.1
152.99556	0.6
155.05881	1.1
168.06656	10.1
261.41553	0.6
263.83734	0.7
296.51099	0.6
351.21890	1.2
368.22266	2.4
406.27194	1.4
408.29434	4.3
416.26392	1.7
416.31381	1.1
424.28708	0.8
434.27075	5.3
443.56125	0.6
452.28128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05120	0.7
55.40364	0.8
56.29276	0.9
85.02934	8.3
92.22499	1.2
99.92580	5.7
100.93362	18.1
115.92067	19.9
116.92845	4.6
134.03745	2.2
135.04526	5.9
147.04483	1.5
148.81578	0.8
149.06039	4.3
161.02399	1.6
161.41455	1.0
173.04578	4.0
178.02797	1.1
179.03529	9.4
191.05611	17.3
192.05991	11.7
193.06331	7.7
216.95946	1.7
217.96753	1.6
218.97549	38.0
232.07310	4.2
244.95482	5.9
247.09763	12.9
262.96545	100.0
290.81238	1.3
291.08643	1.7
296.80164	0.9
307.08136	1.4
310.49707	0.9
354.09216	1.3
355.09460	3.7
373.00189	6.0
391.01318	70.6
435.00226	1.9
453.01181	4.8
453.13223	19.6
479.48898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33234	0.7
59.01381	1.3
60.73562	0.7
60.96002	0.7
61.98829	1.4
64.25181	0.7
87.00864	0.8
99.92603	7.4
100.93363	17.4
113.02421	1.4
115.92075	19.8
116.92859	4.2
135.04509	5.2
159.23653	0.7
179.03474	7.2
191.05617	3.3
210.30641	0.8
210.96931	1.1
216.96049	1.6
217.96745	4.3
218.27853	0.8
218.97563	44.7
219.94557	1.2
221.96286	1.9
234.97237	0.8
243.34006	0.7
244.95508	3.3
246.97040	0.9
256.97635	1.2
262.96555	100.0
278.96014	1.1
321.68457	0.9
373.00256	6.6
391.01324	62.4
435.00165	3.3
453.01151	3.7
453.15973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05120	0.7
55.40364	0.8
56.29276	0.9
85.02934	8.3
92.22499	1.2
99.92580	5.7
100.93362	18.1
115.92067	19.9
116.92845	4.6
134.03745	2.2
135.04526	5.9
147.04483	1.5
148.81578	0.8
149.06039	4.3
161.02399	1.6
161.41455	1.0
173.04578	4.0
178.02797	1.1
179.03529	9.4
191.05611	17.3
192.05991	11.7
193.06331	7.7
216.95946	1.7
217.96753	1.6
218.97549	38.0
232.07310	4.2
244.95482	5.9
247.09763	12.9
262.96545	100.0
290.81238	1.3
291.08643	1.7
296.80164	0.9
307.08136	1.4
310.49707	0.9
354.09216	1.3
355.09460	3.7
373.00189	6.0
391.01318	70.6
435.00226	1.9
453.01181	4.8
453.13223	19.6
479.48898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48450	0.6
59.01381	1.5
64.02920	0.7
76.75396	0.9
78.61098	0.8
87.81599	0.9
89.52337	0.8
98.95592	0.9
99.92578	7.4
100.93349	12.8
111.55202	0.8
115.92063	22.3
116.92857	10.3
125.46666	1.1
134.54514	0.8
135.04509	4.4
179.03491	9.5
191.05560	1.7
203.95349	1.0
207.58604	0.9
209.04614	1.4
215.95213	1.4
216.95770	1.1
217.96738	4.1
218.97540	42.4
221.96228	1.6
231.94951	0.8
234.97008	1.0
244.95525	4.6
262.96539	100.0
311.45178	0.9
373.00217	5.3
391.01306	59.9
435.00104	3.9
453.01236	3.6
453.13763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.9
81.59483	0.8
83.02368	0.7
96.96059	0.8
99.92565	7.9
100.93369	13.6
104.79330	0.9
115.92072	23.2
116.92842	1.6
125.98160	0.8
133.02905	1.1
135.04527	4.5
138.77834	1.0
142.33150	0.9
153.01932	1.3
173.04520	1.2
179.03502	10.4
193.06190	1.0
195.69969	1.1
209.04617	2.1
216.95938	4.9
217.96750	1.8
218.97546	37.1
221.96184	1.0
234.96921	1.7
244.95465	3.9
260.95013	1.0
261.95721	4.9
262.96545	100.0
307.08395	1.2
309.99442	1.2
373.00259	5.7
391.01318	64.8
453.01215	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00480	0.7
59.51173	0.7
69.31395	1.0
71.01391	0.7
78.95911	5.1
90.71491	0.7
96.96947	7.9
98.88560	0.8
99.92580	7.0
100.93353	18.6
115.92064	19.6
116.92850	5.2
119.86443	0.8
122.51465	1.0
134.03716	1.2
134.80450	0.9
135.04510	5.9
147.16052	0.9
173.04553	1.0
177.65520	0.8
179.03519	10.6
191.05580	5.8
192.06004	1.4
193.06122	3.5
215.95117	1.0
216.96030	3.8
217.96768	4.3
218.49141	0.8
218.97551	45.1
221.96286	2.9
234.97046	0.8
244.95439	3.5
256.97504	1.9
261.95752	1.7
262.96533	100.0
275.05618	0.9
299.63095	0.9
304.54379	0.8
355.09332	3.1
373.00253	8.1
391.01306	64.9
435.00473	3.3
453.01379	7.8
453.14267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05120	0.7
55.40364	0.8
56.29276	0.9
85.02934	8.3
92.22499	1.2
99.92580	5.7
100.93362	18.1
115.92067	19.9
116.92845	4.6
134.03745	2.2
135.04526	5.9
147.04483	1.5
148.81578	0.8
149.06039	4.3
161.02399	1.6
161.41455	1.0
173.04578	4.0
178.02797	1.1
179.03529	9.4
191.05611	17.3
192.05991	11.7
193.06331	7.7
216.95946	1.7
217.96753	1.6
218.97549	38.0
232.07310	4.2
244.95482	5.9
247.09763	12.9
262.96545	100.0
290.81238	1.3
291.08643	1.7
296.80164	0.9
307.08136	1.4
310.49707	0.9
354.09216	1.3
355.09460	3.7
373.00189	6.0
391.01318	70.6
435.00226	1.9
453.01181	4.8
453.13223	19.6
479.48898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75280	0.5
59.01370	0.6
60.37655	0.5
61.38104	0.4
63.36553	0.5
71.01366	0.7
75.73418	0.5
78.95904	69.0
85.77081	0.5
89.02441	0.7
96.88390	0.5
96.95983	1.2
96.96951	5.4
101.62582	0.5
110.98524	100.0
128.03511	0.5
147.49313	0.5
161.04480	0.8
173.04509	0.6
200.59152	0.6
341.10754	0.9
341.91699	0.6
355.08755	2.6
453.09991	11.6
468.61478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
66.61891	0.5
71.01385	0.9
78.95898	70.3
82.50597	0.5
89.02436	0.7
96.96002	2.7
96.96919	0.6
101.02412	1.2
101.71524	0.5
106.12722	0.5
107.09569	0.5
110.98518	100.0
111.97506	0.5
113.02404	0.8
119.65342	0.5
127.25337	0.6
148.54900	0.5
298.74115	0.5
362.20120	0.6
363.09360	2.1
453.10074	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17097	0.5
50.49741	0.5
56.42381	0.5
58.60246	0.6
59.01381	5.6
66.31012	0.5
69.81154	0.5
71.01357	5.4
72.99291	0.8
73.02941	1.4
83.01360	0.6
85.02951	7.2
87.00862	0.8
89.02435	3.5
97.02914	0.8
101.02431	4.8
101.24157	0.6
107.01352	1.2
111.00879	5.7
113.02419	3.3
115.03988	2.4
119.03485	0.9
123.00880	12.1
124.01648	16.8
125.02432	25.9
134.03738	0.7
136.98849	1.0
138.03252	0.9
139.00400	4.7
139.04028	10.4
140.01155	0.8
141.01920	2.5
149.02437	0.8
149.06035	3.8
151.00365	13.4
168.00645	8.8
169.01422	49.7
175.06113	0.8
183.02974	8.4
193.05060	2.8
211.02408	0.8
225.04086	1.0
232.07356	2.5
244.85449	0.8
247.09746	10.5
285.06262	0.9
291.08887	1.4
297.06207	1.5
313.05722	6.6
337.11264	0.8
353.19391	0.7
363.09525	1.2
453.10406	100.0
453.15854	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
67.01881	1.6
71.01371	11.7
84.60976	0.7
85.02937	5.1
89.02441	16.1
92.23146	1.4
95.01368	1.0
101.02429	9.3
111.00871	100.0
113.02443	15.9
119.03491	7.2
143.03619	0.8
161.04561	5.6
167.51590	0.9
179.05608	6.6
291.07236	3.4
341.10947	15.8
453.12491	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24362	1.3
54.46613	1.3
57.03416	1.5
59.01382	39.3
60.80459	1.4
61.84514	1.2
65.64212	1.7
71.01379	45.2
71.01732	2.7
73.02945	14.9
78.95908	16.6
83.01390	5.7
85.02460	2.8
85.02940	30.6
85.21103	1.6
87.00865	9.7
89.01923	2.3
89.02430	20.8
95.01431	1.9
97.02928	3.3
99.00880	8.3
101.02438	37.3
103.00388	3.2
110.98504	23.7
113.02426	29.5
115.04000	26.8
119.03484	8.7
130.07011	1.5
131.03467	14.2
143.03458	2.0
159.02940	2.7
159.16380	1.6
161.04561	13.0
173.04520	2.5
221.06693	9.3
230.12810	1.7
236.53871	1.5
274.84122	1.7
278.74002	1.5
283.22980	1.7
283.91708	1.6
363.04807	3.3
363.09348	100.0
374.32974	1.7
435.11411	3.4
453.12576	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01385	35.3
71.01378	43.7
73.02940	24.8
78.95901	41.1
83.01393	4.1
85.02943	28.7
87.00864	7.9
89.02441	24.9
93.03442	36.9
97.02939	3.8
99.00872	8.5
99.04491	2.4
100.00385	2.0
101.02435	37.7
103.00385	3.7
110.98518	47.9
111.04517	24.5
113.02438	27.8
115.04000	25.7
119.03503	9.3
129.01959	2.3
131.03490	17.1
137.02452	13.9
143.03500	3.3
155.03482	15.1
155.04605	2.5
159.02954	2.4
161.04587	8.9
173.04556	100.0
179.05623	3.1
190.73631	2.2
191.05557	2.9
221.06648	8.5
248.57690	2.1
279.10898	4.2
297.11813	8.9
326.68430	2.6
363.09357	82.5
453.12292	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1348
Annotation	Marchantin G
Peak:m/z	Relative Intensity
61.98836	1.3
73.62129	0.7
74.04156	0.8
74.34269	0.7
78.57262	0.7
79.55586	0.7
80.83856	0.7
81.91703	0.8
92.22425	0.8
96.96002	1.3
101.03991	1.5
117.03452	17.1
247.07527	1.3
249.09215	16.8
259.65994	0.8
261.44769	0.9
262.06445	1.0
273.09433	0.9
286.06448	1.1
291.11908	2.9
293.13382	3.4
305.08154	5.5
319.11304	19.8
321.12866	6.7
333.12988	0.9
335.10867	1.2
349.12421	6.7
351.13953	0.9
362.09402	1.5
363.10300	50.5
379.13467	1.9
453.13464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74128	0.3
67.01884	4.9
77.21559	0.3
85.02935	0.3
92.23155	0.3
103.53856	0.3
111.00872	100.0
146.03726	4.6
153.70001	0.3
157.72466	0.3
161.06094	3.6
164.04771	3.5
179.07129	9.7
181.75183	0.3
215.02524	0.3
232.48109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63525	0.4
63.30725	0.4
68.40672	0.4
68.69116	0.4
77.76706	0.5
89.36490	0.5
91.17343	0.5
96.76355	0.4
115.92059	0.5
116.57799	0.4
116.99319	0.4
121.02996	0.5
134.03737	40.1
137.02455	3.1
139.04007	0.8
149.06084	22.4
157.82610	0.5
178.02716	49.7
182.20352	0.6
193.05069	100.0
210.69218	0.5
353.05405	0.5
355.10452	5.9
453.14017	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.8
60.29581	1.0
67.48204	1.2
71.01382	9.1
74.26234	1.1
82.44236	1.3
84.77849	1.2
85.02959	1.7
89.02425	8.7
89.90041	1.1
92.49233	1.1
101.02440	7.1
113.02464	2.6
115.03996	1.8
119.03446	1.5
121.02898	2.0
132.02141	2.4
134.03717	35.4
147.04422	1.7
148.05272	1.7
149.05058	1.6
149.06084	14.2
160.00369	2.1
160.01657	47.2
175.03995	100.0
176.04741	16.0
178.02687	7.1
189.05608	5.4
191.07111	33.4
193.05057	67.8
207.06558	5.5
217.05043	2.4
220.03790	2.4
235.06107	56.1
235.08453	2.1
265.07141	38.1
295.08234	55.2
355.10370	12.0
392.91800	1.2
453.13959	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84887	0.8
55.53173	0.7
57.63202	0.7
59.01382	18.3
59.71978	0.8
60.76330	0.7
60.78981	0.7
63.65021	0.8
64.65978	0.9
71.01369	8.4
71.15855	0.8
82.16257	0.9
85.02942	1.5
89.02425	11.7
97.02950	7.4
101.02448	6.6
111.04494	1.4
113.02445	6.3
117.03429	1.2
119.03501	3.4
133.02898	1.7
134.03740	32.5
135.04575	2.2
136.01608	0.9
137.02512	1.1
143.35963	0.9
145.34131	0.8
147.04497	1.4
148.05316	3.9
149.06088	15.3
151.74992	0.8
158.03691	2.1
160.01663	25.6
161.02434	26.4
163.03947	1.5
164.04869	1.1
164.86455	0.9
173.06090	1.7
175.04010	70.3
175.94545	0.9
176.04768	26.6
177.05556	1.9
178.02734	5.5
179.03571	1.6
184.86823	0.8
191.07153	65.6
192.04314	4.6
193.05069	88.3
193.93199	1.0
207.06651	25.7
217.04951	1.6
220.03752	8.0
235.06131	100.0
249.98419	1.0
265.07208	20.5
277.09335	10.1
295.08224	22.8
318.88611	0.9
337.09436	1.0
355.10275	9.0
453.14072	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02925	1.1
97.02927	2.0
97.86314	0.9
115.04006	6.6
120.83377	0.9
120.99623	1.3
163.21648	1.0
177.01929	5.8
178.02715	98.2
192.04289	1.2
193.05066	100.0
355.10361	1.4
453.13968	44.7
453.20041	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18859	0.3
63.18027	0.3
85.02971	0.5
97.02966	0.4
115.04027	0.5
127.32915	0.3
134.03737	65.4
137.02451	1.9
142.96303	0.4
143.32220	0.3
149.06071	39.2
160.57707	0.3
163.04001	0.3
178.02716	28.4
185.28439	0.3
193.05066	100.0
221.53987	0.4
225.18077	0.3
291.88260	0.4
310.12323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49882	0.7
57.03443	0.9
59.01373	1.5
59.43263	0.9
59.88307	0.8
60.39002	0.7
63.29811	0.7
66.59431	0.7
71.79782	0.8
73.92608	0.8
74.19025	0.9
85.02946	56.2
101.02448	1.7
134.03748	23.3
147.04535	10.6
149.06082	33.6
163.07678	1.1
173.04553	4.1
174.04837	1.0
178.02736	9.6
193.05072	31.2
231.06485	1.0
232.07431	36.5
247.09770	100.0
274.40341	1.0
287.13834	1.0
291.08755	18.9
453.13983	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28403	0.8
56.57405	0.7
57.03452	3.1
59.01387	3.7
68.46580	0.7
71.01383	1.9
75.00882	0.7
85.02944	73.6
89.02428	1.5
93.03427	0.8
99.92566	1.7
100.93357	1.8
101.02449	1.4
108.82989	0.7
112.96600	0.8
113.05276	0.7
115.92056	5.2
121.02951	7.1
125.33693	0.8
127.46404	0.8
129.01923	1.2
134.03746	25.9
135.04530	3.3
147.02936	1.1
147.04520	10.3
149.06078	36.8
149.66191	0.8
162.06882	1.1
173.04549	12.8
173.05936	1.1
174.04897	1.8
175.04964	1.5
175.07594	0.8
177.49939	0.8
178.02708	11.8
191.01967	7.3
191.05643	4.8
193.05045	31.7
195.09369	0.8
203.05344	0.8
218.97530	12.4
231.06526	1.1
232.07419	35.5
247.09770	100.0
262.96548	29.5
279.08676	2.9
283.78406	0.8
289.66971	0.9
291.08777	20.0
355.09500	1.3
373.00388	1.7
391.01367	21.7
453.01047	0.8
453.14182	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49882	0.7
57.03443	0.9
59.01373	1.5
59.43263	0.9
59.88307	0.8
60.39002	0.7
63.29811	0.7
66.59431	0.7
71.79782	0.8
73.92608	0.8
74.19025	0.9
85.02946	56.2
101.02448	1.7
134.03748	23.3
147.04535	10.6
149.06082	33.6
163.07678	1.1
173.04553	4.1
174.04837	1.0
178.02736	9.6
193.05072	31.2
231.06485	1.0
232.07431	36.5
247.09770	100.0
274.40341	1.0
287.13834	1.0
291.08755	18.9
453.13983	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85543	0.7
54.10351	0.7
55.80276	0.6
59.01380	0.9
69.88791	0.8
73.02947	19.3
78.95900	3.4
79.81647	0.8
81.03456	1.3
83.05038	1.9
85.02961	1.7
93.03452	35.9
99.00868	5.8
99.04520	6.4
105.05726	0.9
110.98528	5.7
111.04516	23.3
129.01991	1.7
137.02438	17.4
143.03484	4.0
147.43382	0.8
155.03490	12.0
155.04553	1.2
159.11565	0.8
173.04550	100.0
182.30414	0.8
185.14439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13552	0.6
57.82764	0.6
59.01366	0.8
65.02029	0.8
69.21694	0.6
73.02936	14.1
79.77837	0.9
81.03429	1.6
83.05025	4.5
85.02951	3.8
93.03448	32.8
99.00873	5.1
99.04515	6.7
101.02458	0.9
110.98512	1.8
111.03753	1.4
111.04503	20.4
127.72646	0.8
129.01917	1.8
137.02435	17.6
143.03511	3.7
155.03519	11.8
173.04544	100.0
186.56490	0.8
228.66864	0.7
279.11002	1.1
342.19778	0.8
453.15683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21256	0.6
59.01378	4.2
62.51081	0.7
71.01381	3.9
73.02938	18.3
73.88929	0.6
75.00863	17.9
82.42909	0.7
83.05030	3.5
84.23767	0.7
85.02947	4.2
89.02429	6.0
93.03456	42.6
99.00909	5.9
99.04519	5.3
101.02464	0.8
111.04517	36.3
113.02400	0.9
119.03458	1.8
121.85277	0.7
129.01910	3.4
137.02443	19.1
143.03493	6.0
155.02318	1.5
155.03482	17.7
173.04550	100.0
206.43663	1.0
262.80554	0.9
297.11932	25.8
453.16296	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1707
Annotation	Marchantin M
Peak:m/z	Relative Intensity
52.70499	0.7
54.17699	0.7
55.21615	0.7
55.21892	0.8
60.52416	0.7
70.02965	2.0
71.05010	2.0
74.46494	0.7
80.96658	0.8
87.05631	3.4
99.04559	1.2
113.03603	6.6
115.92035	1.0
130.03323	4.3
132.02164	3.9
134.03766	6.7
139.45399	0.9
144.50264	0.8
146.07074	1.9
146.08234	51.6
149.06061	7.3
159.92087	0.9
160.01659	41.7
173.03903	1.7
175.04005	100.0
192.06584	1.3
193.05107	4.8
203.63626	0.9
217.11926	12.3
220.01665	1.0
228.41225	0.9
252.06992	8.5
277.12283	27.7
306.07770	1.0
408.42880	1.0
453.17075	27.1
453.22498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1952
Annotation	Ambiguine F isonitrile
Peak:m/z	Relative Intensity
50.07783	0.4
52.81203	0.3
53.64020	0.3
67.65343	0.3
71.01382	1.9
84.55059	0.5
99.92564	4.9
100.93353	61.5
109.25205	0.5
115.92063	100.0
116.92845	10.2
132.92354	0.9
154.94427	0.5
172.95474	5.6
255.23370	2.5
279.23370	1.9
298.88882	0.5
348.39111	0.5
379.15744	0.7
405.17499	0.8
435.18539	2.9
453.19534	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11378	1.1
53.35571	1.2
61.98829	1.1
71.01384	11.8
84.93849	1.5
92.23096	2.4
99.92575	27.8
100.93361	49.9
107.30006	1.2
114.89054	1.3
115.92068	98.0
116.92854	100.0
118.86900	1.3
120.95897	1.6
126.94928	2.2
128.06270	1.4
131.99461	1.3
133.53976	1.4
154.94441	11.6
165.51009	1.5
172.95468	58.6
193.46832	1.5
217.04448	1.4
235.95972	1.4
255.23331	5.3
279.23306	10.0
291.09564	1.3
395.15619	2.2
435.18314	5.6
453.19611	65.2
453.26111	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1957
Annotation	Ambiguine F isonitrile
Peak:m/z	Relative Intensity
57.30194	0.5
59.01373	2.3
80.41548	0.5
84.93870	2.5
95.94380	0.6
99.92580	45.6
100.93367	33.5
100.94034	1.5
115.92075	55.3
116.92859	13.5
124.96986	5.7
139.79335	0.6
152.96510	9.7
168.96001	3.3
169.93103	1.1
170.97556	2.4
196.95497	15.2
197.96284	3.5
226.11569	0.6
255.23325	61.8
275.68039	0.6
339.16199	1.2
355.16122	4.9
371.15195	2.4
453.19577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73635	1.8
59.01380	89.2
59.12538	1.6
60.60240	1.7
63.78076	1.7
71.01376	25.8
71.53776	1.6
72.68039	1.8
73.02926	19.6
83.01392	3.5
85.02941	9.6
87.00865	3.9
89.02434	43.9
101.02432	42.0
103.04021	18.3
113.02430	8.5
115.03999	9.4
119.03488	17.6
131.03496	13.2
140.22824	2.0
143.03473	16.8
145.05000	3.4
163.06125	38.9
205.07224	15.3
218.97478	3.3
230.25963	2.2
262.96594	11.0
352.00842	2.0
387.46948	2.5
391.01163	2.7
393.17734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61498	0.6
54.22153	0.6
56.15548	0.6
59.01388	14.3
63.33727	0.6
71.01376	13.2
72.99319	0.9
73.02943	5.5
82.70237	0.8
82.98791	0.6
85.02950	1.4
87.00941	0.7
89.02438	16.5
99.00253	1.5
99.00877	34.8
99.01522	1.4
101.02438	10.6
111.00871	1.1
113.02444	13.9
119.03488	6.6
131.03502	3.3
141.09221	7.6
146.08212	0.7
149.04471	0.7
153.88023	0.8
159.07010	0.7
159.10289	5.2
161.04678	1.5
191.05672	3.4
259.29922	0.8
321.15625	11.7
405.83405	0.8
445.80923	0.7
453.19864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
59.19219	0.3
60.40059	0.2
60.61843	0.2
62.92670	0.2
64.91693	0.3
74.02838	0.3
121.02950	100.0
195.54401	0.4
222.21658	0.3
376.02161	0.4
453.21402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2268
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
54.76631	4.3
75.44932	3.4
87.62555	3.9
111.82501	4.2
114.02768	3.4
115.80668	3.7
139.15230	3.7
149.08284	3.2
149.49628	3.8
207.43086	3.8
330.66714	5.5
453.16943	8.1
453.22714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2265
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
52.78585	2.6
59.01378	3.3
60.17568	3.1
74.00253	2.7
97.01080	3.1
199.67860	3.6
255.20729	3.0
453.16809	5.6
453.22687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
57.03450	2.7
57.51540	0.6
59.01382	25.9
61.98846	0.7
68.47543	0.6
71.01377	35.8
72.99290	1.1
73.02944	19.2
75.00856	1.0
83.01385	8.7
85.02480	1.1
85.02951	21.1
85.03433	1.3
87.00877	3.2
89.02446	9.4
95.01393	3.8
96.96063	0.7
99.00887	6.4
101.02438	50.2
113.02438	21.2
119.03484	1.5
125.02425	1.3
127.54333	0.7
134.03674	1.4
135.04477	0.8
143.03526	1.6
145.02950	3.5
159.03026	3.7
160.01625	0.9
161.02466	1.0
161.04550	13.2
163.03922	0.7
163.33563	0.7
175.04050	2.6
193.05019	5.3
291.18188	18.0
453.23505	100.0
453.64227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57861	1.8
61.98833	100.0
61.99150	4.0
77.87127	1.8
91.58750	2.0
97.06573	8.7
131.72665	1.9
145.48581	2.0
205.27393	2.0
247.31435	2.4
255.23279	35.1
289.98334	2.2
372.74557	2.4
397.78705	2.4
409.33160	9.0
453.26450	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2646
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
51.13483	3.1
55.47557	3.0
68.59521	3.4
131.79840	3.7
135.04532	21.5
142.46574	3.2
145.39302	3.5
146.03662	5.8
147.04555	3.6
173.06091	5.6
187.07689	6.9
188.08397	13.5
189.09171	13.3
195.13844	4.2
200.08397	5.7
202.06111	3.7
202.09976	13.1
216.08081	4.0
217.08871	4.3
217.12346	49.7
223.28331	3.5
242.13029	5.4
244.14687	4.3
245.11794	26.7
246.14275	3.3
257.11771	4.6
257.15390	4.9
258.16513	5.0
269.07761	3.9
270.13004	3.5
270.16278	18.6
277.21786	4.5
295.22858	23.6
312.20859	5.0
339.23135	7.6
340.20410	12.9
381.28128	44.8
409.27521	98.3
453.26584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2631
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
51.73943	1.8
61.98832	100.0
71.52747	2.4
73.33618	2.8
86.40227	2.2
93.03448	4.7
157.93489	2.5
173.04660	2.5
225.51175	2.9
255.23384	4.0
279.23395	3.3
321.67108	3.0
326.01675	2.6
428.35245	2.4
453.26224	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.263
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
50.76426	0.5
52.17699	0.5
55.96075	0.6
69.07864	0.6
72.45235	0.6
78.86534	0.6
78.95913	5.3
122.98553	6.2
140.99577	2.5
147.70987	0.7
152.99597	3.8
163.39815	0.6
180.26688	0.7
183.51056	0.6
193.40614	0.7
194.99336	0.6
197.02205	5.2
255.23326	100.0
256.23715	7.1
393.19623	3.7
453.26340	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2653
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
50.76396	0.7
52.00546	0.7
64.09988	0.8
76.51204	0.9
91.91648	0.8
92.23099	1.3
94.47200	0.9
111.54872	1.0
133.11369	0.9
157.65744	0.8
166.07640	0.8
176.08466	1.6
185.56850	0.9
189.05690	1.5
201.09296	1.0
204.07884	3.6
217.08664	1.0
228.65880	0.9
243.10284	1.2
243.13939	8.9
256.10995	2.0
271.10461	1.6
271.13409	39.2
297.18622	1.5
297.24356	1.4
315.12411	2.1
325.18161	9.0
340.20447	4.9
409.27460	1.1
453.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2651
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
67.42344	2.2
76.86433	2.5
101.88056	2.9
112.31625	2.7
201.09258	3.6
215.10847	3.6
227.10840	5.3
239.10806	2.8
241.12370	4.7
254.13176	5.5
255.13943	10.5
256.14709	3.3
256.23639	11.1
269.15482	3.5
270.16080	3.9
304.96561	2.8
310.19330	3.6
325.22217	3.1
394.25031	14.7
409.27505	100.0
453.26834	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2653
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
51.44544	1.1
56.44147	1.0
58.68271	1.4
60.53670	1.1
62.35041	1.1
89.23622	1.3
89.41711	1.3
97.23112	1.2
98.83130	1.2
107.09588	1.3
112.27275	1.3
135.03584	2.4
135.04527	28.4
145.02962	2.8
146.03743	11.1
147.04536	2.7
148.05272	3.2
159.04501	8.4
160.05276	2.3
163.04016	2.3
173.06053	3.0
174.03255	3.0
174.06850	2.4
175.03847	1.7
175.07706	2.5
188.08438	16.4
189.09221	24.5
202.09898	3.1
216.07909	10.6
217.08739	20.5
229.08731	1.6
242.13133	8.3
244.14674	8.3
249.89885	1.3
257.15457	8.5
258.16235	10.0
259.17041	7.4
270.16330	7.2
271.13504	6.3
278.09171	1.4
284.30389	1.4
286.15714	6.1
287.16974	1.5
312.21091	15.2
340.20438	9.0
381.28024	58.2
386.05161	1.3
390.84451	1.3
409.27509	57.5
409.32916	2.3
453.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2654
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
56.17811	0.7
69.31719	0.8
71.88456	0.8
97.26203	0.8
102.04780	0.8
121.02937	2.0
122.36867	1.0
123.92487	0.8
135.04506	4.0
138.73318	0.9
162.03215	1.0
163.04001	5.7
164.04753	2.1
174.03210	1.4
175.03941	1.8
188.08368	1.6
189.05608	1.2
189.09238	3.5
201.05629	1.7
202.06142	1.0
203.07188	2.0
215.07193	1.6
216.07883	7.6
217.08710	73.0
218.09518	4.6
229.08691	3.9
231.10214	1.6
244.14764	2.1
258.16220	1.6
259.17032	1.1
271.13446	7.8
272.14145	5.3
285.14923	1.8
286.15820	11.1
287.16565	21.8
298.15936	1.0
300.17569	1.0
312.21161	2.1
318.82092	0.9
339.63458	1.2
340.20450	10.1
409.27554	46.4
453.26520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2654
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
51.60242	2.2
53.45972	2.2
54.06639	2.2
56.14582	2.1
56.91438	2.4
59.27234	2.6
72.99303	80.8
75.77305	2.6
80.53830	3.3
92.23077	3.2
105.53036	2.7
111.99347	3.0
112.09220	2.8
134.38628	3.2
169.32597	3.2
206.51239	3.1
225.09064	5.0
253.12204	3.7
270.38339	3.8
271.13309	3.3
310.19513	3.6
328.20322	4.4
340.20386	4.3
379.26581	6.3
391.26279	6.8
409.27567	33.9
450.01559	3.5
453.26563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2652
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
57.17094	0.7
59.77534	0.7
129.21877	0.9
135.04506	1.3
180.61847	1.0
181.70653	0.9
187.07608	1.8
199.13087	0.9
200.08415	1.6
202.10013	5.2
213.09244	1.3
214.09944	1.3
215.10823	1.1
225.09343	1.2
227.10948	1.0
245.15431	1.0
253.21715	1.4
267.13940	7.6
269.12006	3.0
270.16342	6.3
271.13309	1.8
279.13791	0.9
281.15469	1.2
285.15002	40.5
296.06534	0.9
297.15063	9.3
337.18475	1.3
339.19647	1.7
339.23303	10.4
381.27753	5.3
391.26526	7.1
409.27518	100.0
453.26501	23.8
453.33591	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2652
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
50.60341	0.5
51.68691	0.4
54.24279	0.4
55.72271	0.5
59.01360	0.6
61.98827	0.9
78.95882	0.7
84.04875	0.5
84.41843	0.5
85.89751	0.5
95.01395	0.7
100.45654	0.5
100.93352	2.1
115.92085	3.0
116.92859	3.3
152.99677	0.6
163.11217	0.9
172.95485	1.3
176.45917	0.6
201.09254	4.1
202.10027	5.4
213.09200	0.7
215.10803	5.1
216.11623	1.3
227.10837	0.7
228.11560	7.0
232.92026	0.6
240.11725	0.7
241.12300	0.8
255.13855	2.4
258.16364	0.6
270.16171	7.5
281.01498	0.6
296.17801	4.2
309.18622	3.4
311.20126	0.7
311.23679	0.7
323.20074	2.5
324.20969	100.0
339.23318	84.9
340.20407	0.7
391.26358	0.8
409.27548	25.8
453.19998	1.6
453.26355	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14420	0.4
53.88852	0.4
54.06976	0.4
57.03445	0.5
59.01384	2.1
60.99310	0.6
63.50204	0.4
67.01891	2.8
71.01389	2.1
83.05033	0.8
89.02176	0.4
93.03455	18.4
109.02936	0.6
111.00900	0.9
111.04529	5.3
127.04078	0.5
137.02444	6.1
155.03513	6.1
173.04555	100.0
193.56853	0.5
198.98882	0.5
279.23318	27.7
393.19653	3.2
453.28650	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54996	0.8
51.35130	0.7
57.03456	1.2
57.44542	0.7
60.99316	2.3
67.01897	8.2
69.03453	1.6
71.01367	1.7
77.79268	0.9
81.03462	1.5
85.02973	0.9
87.00874	17.2
92.22562	1.0
93.03448	74.8
99.04518	0.9
111.04510	14.8
121.91299	0.8
128.84959	0.9
129.01936	1.5
135.04578	4.0
137.02448	0.9
145.05829	0.9
154.95934	0.8
155.03593	2.1
159.04579	0.8
173.04561	24.4
173.05930	1.6
178.38181	0.9
186.06854	1.6
188.08531	2.2
191.05620	15.7
196.49525	0.9
199.07690	1.4
213.09189	1.0
216.08127	1.4
217.08685	1.5
273.65503	1.3
279.23270	11.2
283.17154	1.7
286.15942	1.1
314.64447	1.2
340.20514	3.7
381.27863	6.5
409.27563	20.6
453.28653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
72.54320	0.4
75.22341	0.5
93.03461	3.9
95.83560	0.4
99.00870	0.5
99.04530	0.5
111.04510	3.9
113.02452	0.7
137.02432	0.9
155.03506	3.0
173.04555	7.0
191.05629	1.8
198.63560	0.7
261.22278	0.5
264.29935	0.6
265.56488	0.5
277.21863	0.6
279.23312	100.0
424.38351	0.6
453.28619	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94059	2.2
51.31684	1.6
51.88768	1.8
67.99927	1.7
77.73401	1.9
93.03425	1.9
97.06578	56.2
99.04516	9.3
112.01624	3.0
134.21506	2.0
141.64531	1.9
143.03543	3.9
170.48045	2.4
173.04555	2.4
191.00475	2.2
195.46893	1.9
196.60434	1.8
250.58212	2.5
267.27042	4.5
318.76431	2.3
365.34174	12.6
409.33286	100.0
453.26822	3.7
471.51614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45300	0.8
59.01381	100.0
60.09877	1.0
61.98840	1.3
62.63235	0.9
66.90714	1.0
69.67799	1.1
102.10278	1.1
136.42809	1.4
152.99574	1.6
212.16818	1.3
347.30673	5.3
375.30399	1.8
393.31238	37.9
437.84982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29791	1.3
58.07993	1.2
59.01384	100.0
59.53580	1.5
62.02199	1.5
66.39233	1.4
86.08414	1.6
92.22566	2.3
98.61127	1.5
117.19525	1.8
152.99554	8.5
157.55562	1.8
164.46500	1.7
236.26891	2.0
295.06131	9.9
308.67041	1.9
347.30814	2.8
393.31271	39.9
434.43045	2.0
453.12112	2.5
453.25470	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3379
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.30023	0.3
63.87802	0.3
66.36538	0.3
92.22562	0.6
165.06459	0.4
186.24426	0.3
212.75467	0.3
282.83759	0.4
317.17010	0.4
453.33813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39484	0.6
55.65549	0.8
70.57554	0.7
70.79655	0.7
109.57011	0.8
111.48919	0.9
118.93236	1.0
129.92009	0.9
143.68753	0.8
171.10269	10.3
172.10596	4.1
289.47427	0.9
337.28061	0.9
435.36499	1.0
453.33792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65181	0.3
59.25150	0.3
61.02504	0.3
63.85867	0.3
92.70846	0.3
155.10771	1.8
164.87672	0.4
171.10176	0.4
181.63632	0.3
217.10617	0.5
231.19615	0.4
253.21777	0.8
267.53641	0.3
279.23450	3.3
279.26016	0.4
390.20834	0.4
407.33075	0.8
409.27609	2.0
453.33795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83088	2.9
64.65534	3.1
75.00873	19.3
75.08457	3.1
75.66733	2.8
117.06385	3.0
119.05006	21.5
131.05016	18.2
132.04442	4.2
144.04549	16.7
146.06126	24.4
147.04504	4.2
148.07661	17.1
159.04469	4.8
161.02425	15.2
164.04800	14.2
174.05621	25.5
177.99075	17.2
179.07140	62.2
181.05064	3.6
190.08727	64.1
193.01440	55.1
205.01448	100.0
218.08231	28.4
220.03781	48.1
235.06151	40.0
246.07730	40.9
251.14305	3.5
320.05530	8.0
335.08102	4.3
336.05200	4.1
345.06393	15.5
360.08673	8.1
362.06796	6.7
410.12378	25.2
454.11798	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.2
63.30128	2.3
71.01385	40.1
73.02944	3.6
85.02980	3.6
89.02442	76.5
101.02452	34.0
105.32758	2.2
109.74103	2.2
113.02445	17.9
119.03497	19.3
131.03488	11.1
149.04535	11.5
153.69038	2.0
160.07660	8.9
191.05554	4.8
309.48022	2.3
322.12952	36.2
363.03442	3.0
454.17294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73162	1.4
52.30951	1.2
55.65673	1.4
57.03429	1.3
59.01382	3.0
71.01376	17.5
72.02166	1.7
73.02937	51.7
77.64636	1.4
78.95905	2.3
81.92352	1.4
84.04559	3.3
85.02956	15.3
89.02437	2.5
93.03461	6.1
95.03762	2.5
99.03206	2.3
100.04024	2.0
101.02419	14.7
109.71834	1.6
110.09723	3.3
110.98522	5.9
111.04530	2.7
115.00377	3.7
117.01936	2.3
117.61588	1.4
125.09657	2.9
126.09229	1.8
128.10812	9.6
130.08723	68.5
133.01413	13.8
135.52979	1.4
137.02522	2.4
152.10809	85.3
152.12073	2.8
156.29254	1.8
164.10846	11.1
170.05757	1.5
170.11877	31.5
173.04521	17.3
174.04869	10.5
180.06731	3.3
182.11900	2.8
191.05630	19.4
202.10934	6.2
214.10902	12.5
256.11877	8.2
274.12994	100.0
352.91077	1.6
382.17453	1.7
441.33713	1.8
454.19540	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98738	0.6
59.01379	1.3
60.98412	0.6
71.01382	5.5
73.02940	5.4
78.95918	4.0
85.02950	2.5
86.22216	0.5
87.00882	0.5
89.02456	2.6
93.03465	2.8
99.00861	0.9
101.02444	13.9
110.98531	5.1
111.04505	2.5
112.04083	0.6
113.02413	2.5
115.07635	0.6
130.08731	100.0
137.02429	0.8
138.09268	0.6
140.10797	2.8
152.10822	3.6
155.03520	0.9
158.40692	0.6
170.11922	1.3
172.09775	0.9
173.04579	6.0
179.05644	0.9
180.06638	7.1
191.05602	7.6
193.60602	0.7
202.10875	11.9
252.08922	0.6
274.12952	3.5
304.86664	0.6
338.38660	0.7
382.16748	0.8
407.11307	1.7
454.13040	1.1
454.19330	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52426	1.1
54.46922	1.3
58.02977	9.5
58.63701	1.0
59.76807	1.4
61.98830	85.6
70.02971	10.8
72.04491	1.4
93.61204	1.5
96.00911	18.0
113.03564	9.0
114.01959	23.4
131.04602	17.7
166.50360	1.5
175.38617	1.2
186.84517	1.3
243.33293	1.4
273.14307	1.3
276.23203	1.8
285.01089	1.7
302.25189	1.6
348.02237	1.8
373.24948	22.3
391.26056	100.0
403.25784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36653	0.9
59.01386	0.9
65.78840	0.8
78.32884	1.0
78.95937	1.0
84.93841	1.8
95.03396	1.0
96.96979	1.3
99.00835	1.0
99.92571	21.2
100.93348	19.4
115.92061	37.8
116.92842	20.5
126.94887	1.7
141.93602	4.0
142.94391	11.6
148.57457	0.9
149.02448	5.4
151.03975	1.0
164.04785	7.0
168.95930	2.0
170.93922	10.3
179.03635	1.1
193.05040	1.0
195.06773	1.1
204.95978	3.6
210.97064	1.3
226.96483	9.0
232.95464	40.0
233.96249	4.9
244.97568	7.8
247.97768	5.4
248.98380	1.1
393.02603	1.7
419.00732	1.5
455.02921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28012	0.7
59.01384	1.4
61.98821	1.3
64.15699	0.9
71.34364	0.9
72.53088	0.7
79.95725	3.2
82.47681	0.8
95.95210	1.3
96.96007	4.6
100.47134	0.9
117.03447	5.1
120.82510	0.9
133.02931	6.8
158.24904	1.1
200.12946	1.6
207.08153	1.2
209.04842	1.7
219.08096	3.7
223.06433	1.2
241.42946	1.0
248.08420	4.6
276.07919	1.8
302.05826	5.1
307.11420	3.2
309.12860	1.6
334.10135	1.0
335.10818	53.7
337.12277	10.3
339.13974	1.2
351.10239	6.0
352.11060	8.2
367.13400	4.4
378.09064	4.9
379.09802	43.6
411.12433	100.0
455.11444	16.3
455.20581	1.3
455.31876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07339	0.6
53.23859	0.7
53.99921	0.6
54.11433	0.6
67.01888	3.9
72.99306	2.8
85.26743	0.7
87.35626	0.8
93.03451	3.1
107.39073	0.7
111.00871	68.1
111.23983	0.7
119.05049	5.6
125.82101	0.8
135.04518	10.5
156.36853	0.8
163.04010	27.0
181.05064	100.0
195.78143	0.9
219.28154	0.7
343.10336	66.9
455.12003	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.29050	0.8
71.05007	5.7
72.99309	2.2
83.05023	9.9
85.06554	1.1
97.02959	2.2
109.02957	5.8
111.04508	21.7
115.04001	100.0
127.04015	26.2
134.03699	1.7
137.02428	4.7
147.04532	1.5
149.02455	6.8
155.03500	27.6
160.01630	1.4
164.04796	16.2
171.03024	1.5
175.04008	4.1
184.10794	1.1
191.07138	1.2
193.05083	3.5
199.02509	15.6
205.05099	2.3
208.03825	5.9
217.03549	33.2
223.06155	18.0
231.05072	31.7
235.06161	2.0
249.06157	6.1
423.09402	13.0
444.97934	1.0
455.15814	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
59.01144	1.2
59.01386	20.2
60.69907	1.0
66.06620	1.0
71.01366	10.9
73.02941	11.1
75.00867	38.5
85.02934	9.5
87.00881	1.2
89.02448	8.4
93.03432	5.2
95.02588	1.2
97.02935	6.4
99.00858	2.6
100.04018	8.1
101.02418	10.4
110.06078	1.4
111.00864	1.6
111.04496	2.7
113.02452	2.8
113.03596	1.6
115.04016	15.1
119.03466	1.6
124.86559	1.1
125.70921	1.3
129.01942	13.3
130.08730	1.2
131.04634	4.4
137.02483	2.0
155.03513	1.9
159.03015	1.8
171.12253	1.6
173.04572	14.7
179.05698	1.1
191.05574	1.4
192.28586	1.3
223.20193	1.3
275.08838	7.4
348.67368	1.2
357.10532	5.9
378.44177	1.2
380.90411	1.2
443.15048	1.5
455.14142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38909	0.6
59.01139	0.9
59.01388	16.1
61.95045	0.6
63.23328	0.7
68.41962	0.8
68.66572	0.8
71.01387	9.4
73.02951	3.0
75.00870	53.6
85.02955	4.3
87.00879	5.9
89.02444	8.4
97.02942	6.1
99.00868	1.7
101.02453	8.8
111.00848	0.9
113.02449	4.7
113.45087	1.0
115.04015	13.6
119.03487	3.6
129.01930	2.0
131.03508	1.7
134.38264	0.9
141.02020	1.0
161.04549	3.2
167.58589	0.9
177.04039	3.6
179.05681	0.8
221.06635	1.3
339.09354	1.3
357.10461	5.5
392.97791	0.9
455.14139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.03276	0.9
59.01133	1.2
59.01384	18.1
69.03460	1.6
71.01379	11.4
73.02937	2.0
73.26261	0.9
73.63200	1.0
75.00456	2.0
75.00867	50.6
85.02951	5.0
87.00870	9.6
89.02441	10.7
94.49204	0.9
97.02943	7.5
99.00891	2.0
101.02444	12.0
111.00876	5.7
113.02431	6.3
115.03999	20.7
117.99730	1.1
119.03497	4.2
129.01939	8.3
131.03522	1.6
159.02942	2.1
161.04498	2.1
175.46829	1.0
177.04059	1.8
177.43254	0.9
181.74783	0.9
221.06737	1.6
357.10373	4.3
455.14127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51637	0.6
59.01381	23.1
67.03957	0.7
69.03443	3.0
71.01008	1.3
71.01375	18.2
72.99321	1.5
73.02922	6.1
75.00865	64.8
85.02930	5.4
87.00864	8.3
89.02435	12.0
97.02934	5.9
99.00875	1.7
101.02437	18.8
113.02430	8.0
115.03983	12.5
119.03476	6.4
125.02374	1.3
131.03497	3.7
141.01942	1.2
143.03423	1.4
156.90163	0.8
161.04544	6.3
163.06102	1.4
177.03973	4.1
218.28996	0.8
221.06595	3.0
263.11246	1.1
320.08145	0.9
339.09363	1.1
357.10217	3.8
395.15106	0.9
409.17184	23.7
455.14047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02180	0.7
57.63122	0.8
59.01106	1.0
59.01384	18.2
61.98829	1.6
69.03445	1.7
70.29883	0.7
71.01383	13.0
72.59956	0.7
72.99313	0.9
73.02944	4.1
74.46492	0.7
75.00867	87.1
85.02956	4.2
87.00858	10.3
88.53726	0.9
89.02439	11.0
97.02910	5.4
99.00835	2.0
100.06226	0.9
101.02430	11.0
113.02415	6.1
114.01959	1.0
115.03997	10.2
119.03514	6.2
129.01906	1.0
131.03450	3.8
131.04602	3.2
137.02438	1.8
141.01888	0.9
154.39948	0.9
159.03012	1.2
161.04538	4.9
177.04062	3.9
179.03352	1.2
217.09209	0.9
221.06715	1.5
224.13943	0.8
231.65167	0.8
299.29959	0.9
339.09302	1.3
357.10315	4.5
395.15634	1.0
455.14020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
71.01398	3.9
76.32381	0.9
81.03449	1.5
85.02930	1.7
90.95877	1.0
99.04497	4.3
101.02455	2.2
113.02424	4.1
132.02142	1.7
134.03725	18.2
149.06027	5.1
159.74071	1.1
160.01651	56.0
166.84630	1.0
175.04002	100.0
193.05069	21.6
203.30020	1.1
222.05309	1.3
227.51883	1.1
370.37915	1.2
455.15656	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89296	0.7
59.01380	1.6
71.01383	1.7
74.38875	0.7
83.55042	0.7
85.02921	0.9
109.60645	0.8
113.02415	1.0
117.03465	5.6
132.02187	0.9
133.02936	1.3
134.03740	100.0
135.83392	0.9
148.05252	3.1
149.06075	18.3
160.01639	12.7
175.03998	26.1
176.53304	0.9
177.01942	0.9
180.18668	1.0
193.05066	89.7
220.20117	0.9
239.99866	0.8
241.21582	0.8
265.03525	0.9
352.39728	0.9
383.30603	0.9
445.76578	0.8
455.15652	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28977	0.4
59.39976	0.4
62.05728	0.4
71.01370	3.1
73.03003	0.6
81.03011	0.5
82.08437	0.5
83.78069	0.5
85.02941	2.7
89.02435	0.5
101.02444	2.7
103.03998	5.6
108.11344	0.5
113.02441	2.0
115.03968	0.7
122.12774	0.5
123.49734	0.6
132.05815	12.4
133.05104	17.7
133.06590	100.0
138.62202	0.5
161.04559	4.5
162.03198	1.2
177.05618	2.7
180.04288	5.1
194.17981	0.5
195.06636	8.9
295.11972	4.1
320.48135	0.7
357.11917	0.9
455.15695	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97816	1.1
53.93570	1.1
59.01373	9.5
71.01373	6.3
76.46922	1.3
85.02953	1.8
85.91994	1.3
89.02437	5.2
91.41280	1.2
92.81474	1.7
93.12722	1.2
101.02460	5.6
113.02452	1.8
117.03447	2.2
119.04980	2.4
133.02954	6.0
134.03741	35.7
136.01599	2.3
137.02429	1.5
147.04475	2.4
148.05292	5.6
149.06085	6.1
153.05588	2.8
160.01659	28.1
175.04012	62.1
192.04295	2.1
193.05040	28.3
194.05406	1.8
216.07994	1.4
441.95959	1.6
455.15671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89482	0.9
59.01382	10.0
64.16547	0.9
70.90187	0.9
71.01385	6.1
73.02916	1.0
75.04324	0.8
81.03419	1.0
85.02933	1.6
89.02441	4.5
99.04465	1.1
101.02480	2.5
102.20553	1.1
113.02436	3.7
115.04032	1.4
117.03429	2.4
119.05035	2.2
123.04500	1.2
133.02971	4.0
133.06523	1.2
134.03743	62.6
136.01625	4.3
137.02393	1.3
147.04536	4.1
148.05260	7.5
149.06067	10.8
153.05608	1.8
160.01659	32.3
162.03229	6.2
175.04002	68.6
177.01952	1.2
177.05571	11.8
191.03513	2.3
192.04346	1.8
193.05087	61.3
455.15695	100.0
470.12689	1.3
474.98334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97426	1.0
59.01380	16.3
71.01375	9.1
71.31543	1.2
73.02934	1.2
85.02906	2.0
86.57391	1.2
89.02443	8.5
91.37454	1.1
97.02940	2.1
101.02448	7.1
101.31104	1.2
109.43407	1.1
113.02439	7.2
119.03501	1.4
123.04509	7.3
124.24145	1.3
134.03734	23.1
135.04485	2.0
147.04591	1.3
148.05278	2.6
149.06068	10.0
153.05571	13.9
158.03699	1.4
160.01660	24.7
161.02431	21.0
163.07581	1.4
173.06003	1.4
175.04007	74.7
176.01094	4.6
176.04784	15.9
178.02750	2.9
180.04301	12.7
191.03525	5.5
191.07155	42.7
192.04350	2.2
193.05067	64.3
195.06633	11.5
207.06628	16.4
220.03836	2.5
235.06120	71.2
265.07236	8.8
279.11005	2.8
295.08298	9.3
297.09921	2.6
325.26501	1.3
329.33682	1.3
395.13312	1.7
431.82007	1.4
437.74362	1.3
455.15646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.1
59.19027	1.1
71.01392	4.2
74.21991	1.1
85.02912	1.8
85.87135	1.2
89.02417	2.5
94.36480	1.1
94.77225	1.1
96.22379	1.1
99.04503	1.7
101.02444	1.9
111.04494	2.3
113.02405	2.1
115.04012	19.5
117.03419	4.8
127.03995	4.8
133.02910	1.8
134.03741	100.0
135.04541	1.4
148.05307	1.8
149.06067	18.3
155.03580	2.5
158.20140	1.3
160.01683	17.6
161.02473	1.6
164.04814	1.7
175.04013	34.7
178.02808	1.3
191.07149	1.4
193.05072	82.2
195.06662	24.3
199.02551	1.8
214.80852	1.3
217.03499	5.4
223.06200	2.3
229.18639	1.4
231.05106	2.1
235.06093	6.7
357.11942	2.4
455.15588	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56667	0.6
58.98126	0.5
59.01113	0.6
59.01372	4.5
63.14465	0.5
67.38819	0.6
71.01379	4.0
71.88274	0.5
72.99302	1.6
77.33005	0.6
85.02969	1.2
89.02457	1.3
101.02441	4.1
113.02440	2.9
117.57004	0.6
119.03509	0.7
119.05000	0.6
137.02480	1.2
147.04523	1.4
148.01671	1.0
149.02434	4.2
150.03220	11.1
153.02017	2.4
163.04047	0.8
165.05531	1.5
176.01149	51.2
191.03517	91.5
194.02226	4.9
195.03024	3.4
209.04482	6.0
237.04036	1.5
395.36475	0.8
440.13495	3.1
455.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60309	1.2
59.01384	100.0
71.01375	8.0
74.81996	1.4
75.82967	1.6
85.02953	1.9
89.02432	8.2
96.96980	3.1
101.02433	10.9
108.02129	3.0
113.02459	2.3
115.03996	3.8
119.03484	7.9
123.04507	8.9
124.01633	1.8
134.03723	2.7
149.06099	2.3
151.03969	3.5
153.05455	2.2
160.01611	1.9
162.03226	16.4
164.04829	2.2
165.01929	8.3
165.05580	3.5
175.03984	8.2
177.05533	7.5
179.03503	10.0
179.07033	2.5
180.04305	3.8
193.05038	9.8
195.06624	13.8
275.09296	9.1
299.09372	3.0
317.10471	2.3
342.09747	3.2
357.11880	47.7
411.12949	7.6
427.96823	1.8
455.10291	3.3
455.15765	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44944	0.3
59.01384	12.4
60.78844	0.4
70.58247	0.4
71.01375	8.5
72.99294	0.6
73.02949	0.6
75.37239	0.4
81.47559	0.5
82.21739	0.5
85.02966	0.8
89.02448	8.8
93.03471	4.5
101.02437	5.4
106.40852	0.4
108.92577	0.5
113.02444	4.8
113.20095	0.4
117.03484	1.5
117.05556	0.5
119.03490	3.7
132.02129	2.4
133.02959	3.1
134.03740	24.3
135.04515	1.9
136.01584	0.6
137.02451	11.6
147.04486	1.0
148.05270	2.1
149.06085	9.7
150.06870	0.9
151.03993	1.1
151.58701	0.5
158.03731	1.0
160.01657	32.3
161.02440	22.2
162.06868	0.7
163.07639	0.8
173.06102	3.2
174.03258	0.5
175.04010	84.9
176.04802	17.9
176.06311	0.5
177.01888	0.6
177.05580	0.7
178.02675	4.8
179.03590	0.8
180.04292	2.7
189.05713	0.5
191.07152	49.8
192.04289	3.1
193.05069	69.5
194.05888	2.5
195.06700	4.5
207.06631	15.2
217.05000	1.8
220.03764	4.9
231.05057	1.7
235.06136	80.4
243.22835	0.5
265.07202	12.3
279.10876	5.7
295.08228	13.7
337.09378	0.7
345.67203	0.6
355.10385	4.3
455.15671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38961	1.8
55.61441	2.0
57.03456	4.8
59.01386	5.2
65.66615	2.1
67.81082	2.0
87.00864	2.2
87.02732	58.2
88.43276	2.0
96.95982	2.4
99.02715	3.5
115.02203	47.2
117.03788	12.6
120.99646	35.4
123.04459	3.1
131.01701	4.7
134.03793	2.7
137.09709	2.8
143.01695	4.8
146.08180	3.9
151.11217	3.4
153.05536	10.9
160.01613	3.5
175.04120	14.5
192.11598	4.5
203.03856	9.7
207.13907	27.4
219.03351	4.0
287.14844	4.5
411.18353	13.0
437.16595	3.9
455.17444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34350	1.9
59.01382	48.6
59.15701	2.3
67.81673	2.7
71.01370	43.2
73.02951	10.3
75.00858	5.0
83.01351	4.2
85.02939	13.4
89.02436	45.4
90.73523	2.6
92.53943	2.6
96.96951	2.9
99.00889	4.4
101.02434	45.3
113.02431	16.4
115.00355	5.0
119.03448	5.6
133.01404	11.5
137.02377	4.4
161.04547	12.2
163.06151	2.6
180.70732	3.0
191.05673	4.5
233.10405	6.7
233.72809	3.0
263.11365	5.5
395.15671	100.0
409.17230	65.2
455.12799	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98583	1.0
59.01384	12.2
60.48976	0.9
69.16748	0.9
71.01371	11.4
73.02937	1.7
73.61480	1.1
83.01394	1.4
85.02967	5.4
89.02444	14.6
94.25443	1.0
97.02905	1.1
99.00893	2.6
100.55435	1.0
100.90564	1.1
101.02424	5.8
102.77805	0.9
113.02460	2.7
125.02364	1.2
131.03484	1.6
144.19479	1.2
159.02933	1.2
191.05630	100.0
297.11960	2.6
315.80237	1.1
395.15598	38.2
447.65500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11771	1.4
59.01381	13.9
59.19798	1.1
61.94759	1.2
71.01373	12.3
71.07570	1.3
73.02980	1.5
74.02478	2.0
85.02957	7.6
87.00851	1.7
89.02434	18.7
101.02447	12.1
106.16671	1.4
111.00883	5.1
113.02452	14.0
119.03491	5.3
128.03549	6.6
131.03491	1.7
135.06662	5.2
143.04668	2.2
155.04599	2.1
159.03073	1.4
163.04013	1.8
164.07216	1.9
173.04672	1.8
191.05626	100.0
203.56975	1.2
215.06819	2.4
217.01118	1.3
217.59219	1.3
225.07170	1.3
278.06830	1.6
279.10892	2.4
297.11920	22.4
341.10986	3.3
365.14026	3.1
404.12866	1.3
455.12723	8.2
455.17337	2.2
458.06317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	2.8
59.01382	54.1
59.18244	1.7
60.12323	2.7
64.29697	2.0
71.01380	50.2
72.99321	2.8
73.02948	19.2
75.00867	47.1
83.01398	3.5
85.02945	15.9
87.00875	10.1
89.02435	58.8
97.02933	3.4
99.00872	38.3
100.77832	2.0
101.02442	52.8
108.16000	2.0
113.02451	36.3
115.04002	10.4
115.78938	2.4
119.03497	18.4
131.03517	9.1
134.95564	1.9
135.06609	2.5
136.99159	2.6
149.04530	5.2
159.02959	3.8
161.04538	17.4
161.41774	2.3
166.70660	2.3
176.91602	1.9
191.05634	5.3
263.11444	28.1
297.11871	10.1
395.10678	4.5
395.15637	100.0
455.13846	45.7
455.18369	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
62.19399	0.6
71.01389	3.8
78.42302	0.5
79.95737	1.1
80.96512	2.6
89.02442	4.5
96.96005	7.0
101.02447	3.6
113.02420	0.8
119.03462	1.3
161.34186	0.6
184.38493	0.6
191.42624	0.5
275.13300	12.7
293.14120	0.8
395.19574	0.6
431.12277	0.6
455.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13888	0.5
79.55682	0.5
84.00942	0.5
85.93729	0.5
90.28226	0.5
91.53860	0.6
95.58604	0.6
98.18935	0.5
98.38038	0.5
99.01999	0.6
99.92569	4.5
100.93356	41.9
110.96954	0.6
115.92068	100.0
116.92851	6.2
132.92303	0.7
165.55005	0.6
172.95479	9.9
224.57852	0.6
281.24860	3.0
325.37009	0.6
351.70319	0.6
377.15952	0.6
407.18842	0.9
417.04883	0.5
426.27466	0.6
437.20383	0.6
455.21133	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
59.01380	23.1
71.01376	22.9
73.02944	12.2
83.01395	3.2
85.02949	15.2
89.02452	5.8
96.95997	2.5
99.00874	5.8
101.02445	39.0
113.02442	20.1
159.02946	2.4
161.04552	12.5
171.10281	2.0
226.49644	2.0
263.15005	50.0
284.41318	1.5
316.13513	1.7
395.19266	100.0
433.40768	1.7
455.15302	2.2
460.87140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82515	1.8
55.53444	2.0
59.01377	28.3
61.42248	2.0
70.28985	2.0
71.01379	18.8
73.02931	9.5
82.40874	2.1
83.01389	4.9
85.02940	5.8
86.00034	2.4
89.02454	3.8
99.00945	2.6
101.02435	36.5
105.93492	2.3
113.02451	10.7
133.05072	4.7
133.06596	29.0
143.03479	3.3
159.02873	3.0
161.04544	12.7
193.62869	3.3
228.36357	2.3
249.13496	33.4
250.81516	2.3
274.53455	2.5
303.46271	2.5
307.93219	2.3
395.19281	100.0
455.15460	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.1
64.43611	1.1
69.91071	1.2
78.95899	30.8
85.09908	1.0
96.96942	6.1
97.06595	1.1
152.99580	100.0
171.00658	4.5
174.03175	2.0
195.45711	1.2
241.21889	2.1
298.12073	1.2
311.16678	1.3
313.14624	2.7
411.25485	1.7
437.23212	1.6
455.23682	30.4
455.31223	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.221
Annotation	CHEBI:78175
Peak:m/z	Relative Intensity
51.30851	0.5
56.08018	0.4
58.00817	0.4
69.66534	0.5
78.95901	44.9
87.74007	0.5
89.70811	0.6
96.96964	4.8
145.72791	0.6
150.97987	1.1
152.99585	100.0
171.00575	2.5
200.32089	0.6
223.28157	0.7
263.10223	0.6
313.96933	0.6
455.22058	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2442
Annotation	Strongylophorine 26
Peak:m/z	Relative Intensity
54.49074	2.0
57.08497	2.2
59.01384	2.9
62.14918	1.9
67.34424	2.0
89.20751	2.4
92.23242	2.5
141.93823	2.7
174.03261	11.2
216.04181	5.6
217.05020	30.2
227.20190	25.3
301.14432	2.6
302.11688	2.9
316.13162	12.4
341.14182	2.9
353.25079	19.0
455.24283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2656
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03456	2.1
59.01377	6.4
62.08508	1.5
70.27407	1.3
71.01376	9.7
75.00867	39.4
85.02956	7.9
87.00863	3.3
92.31451	1.5
99.00872	9.2
129.01924	9.0
129.32942	1.5
177.04062	30.4
277.21747	32.2
346.84814	1.4
387.55365	1.8
419.31958	2.0
455.26538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2658
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
52.45761	0.7
55.01865	1.1
59.01385	55.3
62.25074	0.9
63.32973	0.9
71.01374	24.3
73.00101	0.9
73.02921	1.8
83.01401	2.0
85.02940	6.5
87.00849	1.3
89.02441	27.1
92.22530	1.1
93.13152	0.9
95.01389	2.1
101.02448	16.1
113.02436	14.5
119.03502	7.2
148.86520	1.0
153.82425	1.1
161.04584	1.1
177.43005	1.0
213.11351	1.5
275.20184	10.9
293.21249	17.3
455.26590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65961	5.1
54.32962	5.4
59.01380	42.3
83.70253	5.5
102.25573	5.3
133.06584	100.0
135.04524	29.4
147.04561	7.2
162.25316	5.0
164.24657	5.2
229.37743	6.1
243.26382	5.4
247.08635	5.5
281.24789	55.9
293.15988	7.5
294.16580	34.2
304.87631	5.8
307.08374	5.5
326.15674	55.5
345.68069	5.9
455.25711	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.281
Annotation	CHEBI:69576
Peak:m/z	Relative Intensity
50.04353	1.3
59.01369	2.8
84.89025	1.4
129.78708	1.7
173.06107	1.8
175.07681	1.8
201.09207	6.2
203.10872	2.6
216.11511	19.9
227.10712	3.4
229.12305	9.6
240.11440	1.8
241.12317	10.6
242.13110	7.3
256.14664	24.2
258.16345	2.1
270.16144	6.3
284.17929	6.5
285.18668	7.2
287.16544	2.8
301.14532	2.8
301.17877	2.1
324.20956	2.6
342.22058	11.8
356.23413	3.4
393.27881	1.9
411.29114	100.0
455.23895	15.9
455.28284	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2817
Annotation	CHEBI:69576
Peak:m/z	Relative Intensity
56.00571	1.2
66.72383	1.1
67.62875	1.3
76.37829	1.4
80.77221	1.2
87.92815	1.4
90.99641	1.5
104.32628	1.4
121.65172	1.6
138.01894	1.5
159.75212	1.4
164.03969	1.4
202.10095	1.9
203.10860	17.5
208.85190	1.4
213.09222	6.1
214.10008	14.3
215.10704	2.0
216.11591	1.9
227.10858	7.2
228.11667	2.2
241.12367	2.0
242.13104	12.2
243.14011	3.2
244.14825	13.7
255.13940	2.1
256.14771	25.3
257.15475	10.8
257.86554	1.6
258.16275	10.3
259.17035	8.4
269.15527	2.0
270.16327	11.2
273.14490	2.0
279.23172	2.2
297.24387	3.2
299.16458	3.4
310.19415	15.0
312.20972	51.2
325.21857	18.6
326.22644	6.6
338.22641	6.7
339.23404	11.7
342.21399	3.3
366.25568	6.7
381.28049	100.0
411.29080	92.1
455.28064	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
57.18656	1.0
60.99310	4.9
67.01871	10.0
69.03461	1.8
71.00671	1.3
71.01382	6.3
85.85608	1.2
87.00869	21.4
93.03450	86.6
111.04513	18.8
117.16019	1.5
129.01938	2.7
151.76245	1.3
155.03482	3.2
173.04559	34.6
191.05634	18.3
229.73595	1.7
281.24841	14.9
455.30148	100.0
455.35574	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.1
61.98837	7.1
62.00743	0.8
67.01885	1.6
71.01395	1.6
87.00790	0.8
89.15244	0.8
92.23183	1.0
93.03447	17.1
111.04513	6.7
125.30853	0.8
137.02428	7.4
137.74393	0.8
155.03511	5.4
173.04541	100.0
195.02986	0.8
251.82358	1.0
281.24872	38.1
455.24222	1.5
455.30185	38.6
455.35587	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
54.81052	0.9
55.01872	10.4
55.47253	0.9
64.13119	1.2
65.76783	1.0
79.01882	19.4
92.22420	1.5
95.44964	1.1
95.88589	1.0
97.02931	5.5
99.00874	81.0
106.42605	1.1
111.08133	5.2
129.80508	1.3
143.00018	1.3
148.93219	1.1
167.51694	1.1
182.21883	1.1
267.26883	8.6
268.75375	1.1
276.49176	1.3
284.40857	1.1
285.68521	1.2
349.31091	7.3
379.22876	2.2
383.29675	2.0
390.83295	1.3
393.30106	2.5
411.31189	17.2
455.30157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99302	0.5
56.23858	0.5
59.01347	0.7
61.98843	2.2
93.03460	2.4
111.04506	3.8
113.46464	0.6
126.58181	0.6
155.03525	2.6
160.25462	0.7
164.08499	0.6
173.04543	5.1
191.05618	0.8
220.05708	0.6
279.23392	1.0
281.24881	100.0
299.54742	0.7
325.64194	0.6
455.30389	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96962	0.6
54.26942	0.5
59.82822	0.5
61.98832	100.0
65.06436	0.6
67.01866	0.7
79.11592	0.6
97.80994	0.7
98.70295	0.6
130.08754	0.7
202.64246	0.7
445.52597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
56.51420	1.3
79.65614	1.3
86.44093	1.4
87.85315	1.3
99.41456	1.4
126.18262	1.3
129.08441	1.3
133.02946	2.6
134.03717	10.3
135.04555	11.7
137.02443	2.9
139.03986	1.7
152.65768	1.6
160.95155	1.4
161.02455	23.1
179.03476	9.1
195.61700	1.4
250.24382	1.3
277.47931	1.5
406.86154	1.7
447.88672	1.4
455.31677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3172
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
96.16919	1.0
99.54733	0.9
100.09718	1.0
107.05026	29.2
109.06580	85.9
118.71815	1.1
122.03751	2.2
125.39643	0.9
136.52632	1.0
152.37587	1.0
155.28165	1.0
175.46341	0.9
197.04663	1.0
281.24899	7.2
341.28516	13.8
343.26331	4.3
352.49112	1.0
355.30081	17.1
357.31757	9.3
383.33282	1.1
393.31610	4.7
411.32733	59.8
455.31726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49041	1.3
65.95964	1.6
77.28436	1.5
85.02943	8.2
87.04509	1.9
89.34750	1.7
91.72694	1.4
92.22668	1.8
107.05068	1.8
114.44131	1.6
137.09714	8.0
140.79097	1.7
155.10780	100.0
171.10225	9.3
174.54599	1.7
199.09752	17.9
210.79984	1.6
217.10828	46.7
217.80402	1.7
239.37926	1.5
255.23328	50.3
277.78387	1.9
281.24915	31.2
292.29581	1.7
341.11145	2.2
455.33911	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.46621	0.3
51.13848	0.3
67.01873	0.5
70.21169	0.3
73.18761	0.4
83.05035	0.7
87.00871	0.5
93.03448	5.5
104.46240	0.4
111.04549	0.5
173.04532	2.7
173.05914	0.4
191.05594	0.7
256.35992	0.3
257.08401	0.4
265.23978	0.3
281.24994	0.7
297.24347	2.7
455.30554	5.5
455.35403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
60.09472	0.3
60.99339	0.3
67.01885	0.4
74.62837	0.3
83.05025	0.5
87.00854	1.8
93.03437	6.1
109.69816	0.3
111.04485	1.3
132.18651	0.3
170.32590	0.4
173.04582	3.4
191.05684	0.7
193.56639	0.4
201.41949	0.3
255.23407	0.3
256.14642	0.8
277.21982	0.3
281.24936	1.9
288.31055	0.4
293.12344	0.4
325.21725	0.6
351.79166	0.4
407.33759	0.4
455.24622	3.9
455.30280	6.8
455.35400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3539
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.80485	0.4
62.80349	0.4
89.80582	0.5
90.34101	0.5
106.85789	0.5
109.34822	0.4
128.32803	0.5
136.23305	0.5
139.32445	0.5
147.23653	0.5
152.91783	0.5
204.36942	0.6
349.34912	0.5
455.35394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
62.11687	0.4
82.55449	0.5
85.02948	1.0
87.06821	0.5
91.70177	0.5
92.22445	0.6
97.02946	0.7
98.02467	0.9
99.00877	1.2
103.78111	0.4
108.04535	3.9
110.06111	5.0
111.89433	0.4
113.02447	100.0
136.04030	4.8
150.05612	1.0
154.05157	0.6
203.04831	0.4
203.51862	0.5
252.05209	2.1
264.05179	1.0
342.08344	16.7
435.40256	0.5
456.11099	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.253
Annotation	Malyngamide P
Peak:m/z	Relative Intensity
72.55956	2.5
105.01311	3.0
113.21368	3.1
135.52386	2.8
229.25542	3.0
237.52490	2.7
420.27203	3.8
456.25333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.253
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30209	2.5
63.75271	2.3
75.09495	3.2
82.09272	2.8
88.97307	3.1
94.02988	4.0
96.56895	3.1
117.52782	3.1
162.83904	9.9
183.94231	3.0
200.45990	3.4
376.71393	3.3
420.27579	3.8
456.05051	4.0
456.25247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2531
Annotation	Malyngamide P
Peak:m/z	Relative Intensity
50.51653	3.1
54.68391	3.5
55.85416	3.6
59.01382	9.7
61.03881	3.5
69.60373	4.0
74.96342	3.7
76.33376	3.8
77.78082	3.5
123.47763	3.8
131.66649	4.2
192.28906	4.5
192.79616	4.6
369.45956	4.1
456.25192	100.0
456.30936	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83401	1.6
54.07464	1.2
54.07731	1.1
54.83408	1.3
58.02972	7.7
60.46830	1.2
60.59960	1.3
61.98829	94.7
70.02963	10.7
82.49886	1.4
87.05607	1.7
92.22488	2.0
96.00906	12.3
101.26659	1.6
113.03538	7.1
114.01958	23.0
125.79798	1.4
131.04625	17.0
139.66492	1.4
162.84018	1.6
278.24966	9.0
375.26495	27.6
393.27634	100.0
464.14203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01378	4.0
61.88181	0.8
61.98827	3.9
66.03474	0.8
67.83369	0.6
70.96873	0.7
71.01384	3.6
71.86600	0.7
73.02948	4.9
73.98018	0.7
91.83465	0.7
100.43832	0.8
108.08189	5.8
112.04047	4.1
114.05600	25.5
122.79848	0.7
124.07693	1.4
126.05555	0.9
126.09290	1.1
140.07173	14.7
152.07195	7.1
156.06627	1.5
158.04678	0.8
158.08223	9.6
160.51711	0.7
165.53973	0.8
170.08240	27.9
180.06604	2.7
193.27458	0.9
223.20720	1.6
346.27408	1.2
412.30811	3.1
438.28601	4.4
456.29752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16155	2.0
54.73679	2.3
56.01789	2.3
59.01372	3.7
61.98811	3.1
65.07127	1.9
114.05598	24.2
118.16547	2.3
126.09184	2.2
140.07178	18.6
146.42567	2.4
152.07222	3.2
158.08185	5.6
170.08215	27.2
203.75801	3.2
249.52966	2.7
251.36534	2.5
287.50977	2.9
335.90341	2.7
412.30719	3.3
456.29742	100.0
484.56577	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43253	0.4
61.98832	100.0
84.80374	0.5
229.48682	0.6
350.37781	0.6
456.29312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
61.98831	100.0
68.71033	0.5
71.01362	1.4
73.02953	2.4
108.08172	1.5
112.04023	2.5
114.05604	9.6
126.09278	1.1
140.07169	6.3
142.08766	0.8
152.07227	1.3
158.08246	3.6
170.08217	9.7
253.21956	0.8
268.15622	0.7
346.27460	0.8
348.93011	0.8
438.28601	2.5
456.29770	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94520	0.4
59.41418	0.4
71.59283	0.3
72.99300	10.0
78.95901	6.1
79.95744	0.8
91.10403	0.5
96.96006	100.0
96.96926	18.0
120.92131	0.5
123.04528	1.6
135.04521	1.8
135.45692	0.4
179.03505	11.6
197.04572	32.9
215.75159	0.4
344.89047	0.4
359.09897	27.1
457.07410	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01168	1.0
72.99311	27.1
78.95898	18.1
81.55334	1.0
83.46761	1.0
96.96037	8.5
96.96954	59.4
103.51217	0.9
123.04504	2.4
135.04539	8.0
179.03502	31.4
197.04572	100.0
274.56900	1.0
352.70898	1.0
359.09879	94.2
439.06436	1.5
457.07550	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83522	0.8
58.34054	0.8
59.01376	1.7
60.99313	12.6
62.45458	0.9
72.99310	7.2
77.62183	0.9
88.98798	100.0
91.42402	1.0
93.03522	1.1
96.96008	10.8
100.26726	1.2
119.03516	1.2
134.03723	5.4
135.04492	2.1
160.01654	9.1
175.03987	20.2
179.03467	7.7
179.20865	1.4
185.54677	1.1
191.05658	8.6
193.05124	5.9
197.04584	11.3
267.51923	1.1
335.86758	1.1
367.10150	1.9
369.81729	1.2
457.17734	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
60.99290	0.6
62.25300	0.5
67.07983	0.6
72.99292	2.7
85.02911	0.7
88.98788	3.9
89.02399	0.7
91.26883	0.6
92.22473	0.7
101.02456	0.9
108.02161	0.7
109.02950	54.8
115.03970	2.5
123.04480	1.3
135.04550	0.8
152.01122	3.5
153.01933	100.0
173.04451	1.4
179.03470	1.5
192.32629	0.6
197.04543	3.0
197.81779	0.6
205.95866	0.8
298.49655	0.6
413.10947	5.2
457.09842	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1204
Annotation	12-chloroisoplagiochin D
Peak:m/z	Relative Intensity
53.43570	1.4
59.01105	2.4
59.01382	49.8
68.37086	1.3
71.01376	55.7
72.99315	16.0
78.95915	6.2
85.02956	2.2
87.00875	2.5
88.88346	1.4
89.02436	83.6
90.37691	1.5
96.96955	24.8
97.02921	2.0
101.02439	28.6
113.02441	27.3
115.00355	6.6
119.03500	38.5
131.03545	2.0
143.03526	2.4
161.04549	7.2
162.34332	1.5
179.03482	15.8
179.05608	17.0
180.10945	1.4
193.30887	1.7
197.04565	45.2
212.31747	2.0
234.91951	1.7
237.23448	1.8
273.02841	2.0
341.10922	100.0
359.09900	40.7
457.12125	93.5
457.18561	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31078	3.0
59.01376	19.2
62.57673	2.8
65.62030	2.7
71.01379	40.4
89.02421	11.8
101.42714	2.9
119.03519	2.9
134.03746	7.3
134.61723	3.3
149.02397	5.0
149.06110	3.9
164.04791	45.3
175.03960	16.3
176.75374	3.3
179.07156	6.9
190.02744	28.0
191.03528	12.9
193.05109	7.5
205.05049	65.3
206.05850	35.6
207.02859	3.3
207.06627	5.1
208.03732	14.1
221.08229	43.6
222.05220	5.4
223.06122	70.2
237.07687	19.3
250.04774	14.9
265.07205	100.0
295.08240	24.6
325.09460	31.3
385.11453	28.0
386.16129	3.2
388.58078	3.7
457.13702	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23161	0.9
59.01379	14.5
68.68723	0.9
71.01373	9.1
75.00863	1.4
78.95905	2.2
79.03950	1.1
80.74052	1.0
85.02954	7.3
89.02441	12.7
95.38162	1.1
96.53242	1.1
96.95947	1.2
96.96958	5.9
97.02962	1.3
101.02441	4.4
113.02427	4.8
115.04001	4.4
117.05586	1.3
119.03487	7.5
123.67022	1.1
127.04023	5.0
130.22350	1.2
135.04526	54.5
143.12053	1.2
147.04497	4.8
149.04601	1.3
161.04567	1.6
179.03506	100.0
179.05580	10.8
191.05612	2.0
197.04477	7.5
207.10257	16.4
230.23248	1.3
233.08200	28.8
251.09203	9.8
293.10315	11.0
313.11444	1.4
323.11435	4.3
353.12613	1.3
359.09763	6.9
361.24197	1.0
377.31232	1.2
397.11392	2.6
424.98386	1.3
445.13364	1.2
457.14597	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72115	0.5
52.02089	0.5
54.42440	0.5
57.94738	0.5
72.99304	1.4
74.22294	0.6
78.95920	0.8
89.02429	0.6
92.67313	0.5
96.96957	2.3
97.65807	0.6
123.00875	4.0
135.04587	1.0
138.03232	11.4
153.05585	11.2
166.99867	8.0
179.03496	2.4
180.92612	0.6
182.02229	70.7
188.29314	0.6
192.33990	0.6
197.04575	100.0
216.40590	0.6
228.40195	0.5
286.57318	0.6
300.24121	0.6
359.09848	1.0
386.09561	0.6
457.13287	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
70.33879	1.3
72.98889	2.8
72.99303	79.7
74.61407	1.4
109.01730	1.2
123.04523	19.1
123.64246	1.2
135.04524	32.0
137.06038	1.7
151.04062	1.4
159.71620	1.5
170.32413	1.3
179.03514	75.8
197.04568	100.0
253.77577	1.3
359.09851	38.5
359.14044	2.6
457.13724	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60633	1.0
51.24324	1.1
72.98888	2.6
72.99303	79.7
76.23911	1.0
88.24571	1.3
101.87704	1.1
123.04507	19.3
130.68733	1.2
135.04527	35.1
179.03505	77.2
184.02536	1.4
197.04561	100.0
359.09897	35.3
457.13599	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18483	0.6
63.30257	0.8
72.99305	66.1
80.85229	0.7
83.95558	0.7
109.02956	0.8
115.03954	0.8
123.04518	20.2
135.04524	29.6
151.04012	1.0
166.61893	0.9
167.01595	0.7
179.03508	66.3
182.02182	3.5
197.04567	100.0
319.12802	0.8
359.09900	36.4
457.07227	1.6
457.13586	47.4
473.59769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28020	1.5
57.17471	1.5
59.01376	4.3
61.05301	1.8
61.98821	3.2
65.55076	1.5
71.01389	2.3
72.06380	2.2
72.99310	64.5
74.02545	1.7
85.02968	2.5
88.04038	12.4
89.02442	2.0
101.02397	2.9
113.02404	3.1
115.04020	2.6
116.92867	22.5
117.92872	11.1
118.05085	2.3
123.04549	14.0
130.52295	2.0
135.04549	24.1
145.03006	4.1
161.02449	12.4
164.04807	2.7
179.03516	83.7
179.05013	4.4
182.02261	3.3
190.02740	6.9
197.04558	88.3
205.05103	8.7
215.69772	2.2
221.04584	3.4
223.06180	2.4
265.07169	7.2
325.09457	2.9
341.08841	2.0
359.09805	28.0
367.10254	2.9
457.13620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1514
Annotation	7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside
Peak:m/z	Relative Intensity
58.06519	1.1
58.18368	1.0
59.01372	8.0
62.95378	1.0
85.70455	1.1
88.39571	1.2
122.86926	1.2
137.66875	1.3
171.10327	1.7
266.05997	1.6
281.04535	5.5
281.08292	6.5
296.06946	31.3
296.10406	3.6
297.92062	1.3
311.09323	89.0
313.74826	1.2
326.11646	64.1
340.05957	2.5
341.13983	17.4
355.08350	17.4
370.10571	19.9
385.12970	24.4
415.14066	38.6
457.15143	100.0
457.25085	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99844	2.6
58.13898	3.2
59.01382	85.9
60.99050	3.1
71.01381	16.8
92.22479	3.2
93.34321	3.0
101.02444	5.4
109.98776	4.1
112.13431	3.1
113.02458	3.4
116.06126	3.0
137.06076	100.0
153.64853	3.7
161.04530	16.9
179.07161	20.2
182.02228	31.4
197.04565	39.8
299.11389	25.1
347.79205	3.2
422.90012	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15375	0.5
52.71266	0.5
56.57311	0.6
59.01389	4.6
64.86398	0.7
71.01371	3.3
71.04968	0.6
73.02934	0.8
85.02939	0.9
89.02450	4.5
101.02444	3.5
113.02438	1.2
113.69711	0.6
119.07193	0.7
124.18945	0.6
134.03735	15.2
149.06111	1.4
160.01668	41.8
175.04010	100.0
178.02757	1.1
179.03427	1.2
179.05983	0.7
193.05046	15.8
235.06258	2.4
457.17227	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88694	0.6
59.01379	6.0
59.91660	0.7
70.35081	0.6
71.01378	4.7
71.19091	0.6
71.26494	0.6
73.02921	0.9
83.46660	0.6
85.02943	1.2
86.10262	0.6
88.37460	0.7
89.02435	3.0
101.02444	3.7
113.02447	1.6
119.07056	1.1
124.44730	0.7
132.02148	1.7
133.02908	0.8
134.03738	16.2
139.30101	0.8
149.06070	3.5
160.01668	41.6
160.13614	0.7
175.04012	100.0
177.02098	0.8
177.05579	0.9
178.02867	0.8
179.03519	1.0
193.05066	15.2
210.95918	0.7
229.01823	1.0
249.00116	0.8
299.11334	0.8
457.17261	93.6
461.39893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
59.01108	4.1
59.01386	96.3
61.09402	2.4
71.01375	32.1
72.99290	2.4
73.02954	2.1
76.65242	2.2
85.02941	26.6
87.00858	5.1
89.02441	34.0
96.96000	16.9
97.02925	4.4
99.00863	21.0
101.01748	2.2
101.02411	19.0
113.02450	56.8
119.03500	3.1
125.02437	2.6
131.03490	3.5
137.02515	2.9
149.04488	9.2
149.72282	2.7
161.04529	4.0
191.05644	3.5
210.07668	2.4
260.70578	3.0
397.15076	100.0
415.16174	52.0
457.17484	4.1
482.39227	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95136	1.5
57.03439	7.5
59.01382	18.5
71.01384	2.4
72.99278	1.6
75.00863	74.6
85.02944	2.1
88.98795	7.9
89.02434	1.9
98.55193	1.6
99.04502	8.2
99.30843	1.6
101.02452	3.3
111.00857	9.1
147.19240	1.6
161.04581	2.0
161.73997	1.7
183.02968	1.8
189.09207	2.1
207.10280	26.6
213.19136	1.6
237.11317	9.9
313.12985	17.7
328.13187	1.5
412.68423	2.0
457.10837	4.4
457.17181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1723
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
51.07545	1.0
59.01384	61.4
61.31055	1.2
71.01374	29.1
73.02946	36.2
83.01380	2.0
85.02954	5.8
87.00863	2.2
88.33982	1.2
89.02436	40.4
97.02934	1.8
99.00876	100.0
101.02438	22.2
113.02449	17.2
116.51685	1.3
119.03486	5.6
125.02425	6.0
131.03523	11.9
143.03488	1.7
149.04546	19.7
155.03459	2.2
155.94806	1.3
161.04558	7.6
190.02808	2.7
191.05609	27.6
203.05676	10.1
205.05032	1.7
219.21136	1.4
233.06673	5.2
261.21033	1.4
397.15231	3.1
415.16138	10.9
457.17249	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96478	1.6
59.01387	26.3
63.06435	1.3
71.01379	13.7
72.99286	1.8
73.02956	4.0
85.02948	3.0
89.02448	9.8
99.00913	3.0
101.02438	16.2
103.72620	1.6
113.02444	10.8
146.01511	1.6
161.04578	3.6
173.36104	2.0
201.97867	2.0
206.88437	1.8
289.16699	3.9
305.21381	2.9
421.20868	100.0
445.51154	2.2
457.18423	39.2
457.23233	2.3
481.80911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2085
Annotation	Marioside
Peak:m/z	Relative Intensity
53.18279	0.8
57.03471	1.1
59.01384	33.0
69.86110	0.9
71.01387	15.2
71.05014	4.8
72.99304	2.5
73.02945	1.1
85.02934	4.5
87.00890	4.1
89.02434	16.1
96.45679	1.0
97.06567	1.7
101.02444	8.9
113.02441	7.5
113.06092	1.2
119.03512	4.2
121.10238	4.3
127.04003	2.0
137.09715	6.7
149.09708	24.0
179.03519	1.6
197.04582	1.9
215.14357	4.0
233.15318	1.5
265.46591	1.0
282.21884	1.0
288.76428	1.2
295.15369	1.3
356.16595	1.1
396.78082	1.1
457.20932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67851	0.4
55.71683	0.5
66.38030	0.5
73.47189	0.5
74.07385	0.4
79.19664	0.4
99.92567	4.4
100.93359	53.2
104.21275	0.5
109.03555	0.4
115.92069	100.0
116.92855	7.7
132.92354	0.9
138.86057	0.5
172.95494	5.9
245.07376	0.5
247.71741	0.5
283.26477	3.0
383.18823	1.1
409.20575	0.8
439.21805	1.1
457.22720	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00681	0.9
63.36609	1.1
63.86284	0.9
71.01382	12.5
73.28712	1.1
76.63412	1.3
83.11543	1.2
84.93872	1.5
97.09118	1.2
99.92581	29.1
100.93356	55.0
115.92069	96.4
116.92854	100.0
117.93610	1.1
126.94912	2.5
154.94418	12.6
172.95471	59.8
283.26480	9.6
383.18915	1.5
399.18481	1.4
413.34024	2.3
457.22714	86.8
457.32980	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36531	0.4
58.66143	0.5
73.20505	0.5
74.06802	0.5
78.95900	37.1
78.96364	1.2
96.96976	4.1
96.97485	0.6
105.54397	0.5
106.74803	0.5
139.96878	0.5
150.21442	0.6
150.70244	0.6
150.97945	1.1
152.99582	100.0
171.00664	2.8
233.67142	0.6
244.42281	0.6
314.90155	0.6
457.23669	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2364
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
52.70623	0.7
59.01367	1.0
72.16835	0.7
72.49812	0.7
75.64919	0.6
78.95899	39.6
96.96945	4.8
98.39766	0.7
109.68546	0.7
121.66317	0.8
152.99577	100.0
161.72742	0.8
171.00600	3.4
353.74359	0.8
457.23636	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.9
59.01384	100.0
62.68697	0.6
64.65242	0.7
66.49153	0.7
71.01385	11.4
72.99350	0.8
73.02945	3.6
75.00848	1.1
78.97556	0.7
85.02943	8.4
87.97802	0.6
88.54987	0.7
89.02412	1.6
95.01381	1.2
96.96982	0.7
99.00883	1.2
101.02441	6.3
101.06008	1.0
104.36360	0.8
111.04523	1.2
113.02457	9.1
114.74006	0.7
115.00356	1.0
119.03529	1.1
161.04552	1.2
171.10304	2.9
190.10431	0.9
191.58635	0.8
201.11313	1.5
209.12009	1.0
260.99146	0.9
287.36526	0.8
341.19873	1.6
359.20792	1.1
397.22437	25.7
415.23532	8.6
457.25146	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61737	0.6
59.01384	100.0
67.56062	0.6
69.06882	0.6
71.01366	6.2
73.02939	1.7
78.11827	0.6
78.16354	0.7
83.01402	1.0
85.02940	3.0
87.00858	1.2
88.21706	0.8
89.02449	4.5
95.01359	0.7
101.02426	7.0
113.02456	4.0
114.14795	0.7
119.03512	0.7
127.85165	0.8
132.58162	0.8
161.04593	1.1
164.76736	0.8
174.98103	0.7
179.80014	0.7
186.61125	0.7
232.37593	0.8
397.22446	4.6
406.37061	0.8
415.23474	2.9
457.15903	1.1
457.24985	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.7
71.01389	9.5
73.02933	1.6
73.34129	1.0
74.74823	0.9
78.24866	0.8
83.01364	1.2
85.02946	5.4
89.02427	7.4
95.01360	1.0
95.49636	0.9
99.00846	1.1
101.02453	9.8
106.56541	1.0
113.02425	6.5
113.09752	1.9
119.03487	1.2
122.36624	0.9
172.53378	1.1
179.14397	1.3
195.13969	1.3
212.38139	1.0
277.21716	4.9
279.23325	1.9
295.22818	57.9
439.94113	1.0
457.28168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83091	1.0
53.79263	1.0
55.28816	1.0
56.19382	1.1
56.30497	1.0
57.03439	1.7
59.01381	5.7
63.36221	0.9
71.01370	13.5
73.02957	1.3
73.99302	1.0
75.00864	34.1
80.87548	1.1
81.26108	1.2
85.02939	6.2
87.00864	7.1
89.02444	2.0
92.22507	2.2
99.00860	11.4
123.56991	1.1
129.01944	12.9
131.03633	1.2
142.83084	1.2
177.04027	26.8
228.12099	1.2
279.23279	42.4
293.24893	2.0
455.23065	1.4
457.28162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.297
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
54.14337	1.0
59.01387	5.2
60.96780	1.0
61.98843	2.3
63.07858	1.2
69.03463	2.3
71.01388	2.5
72.99352	1.2
73.13171	1.2
75.00874	16.4
85.02953	1.9
87.00888	2.3
90.73048	1.2
99.00912	5.3
109.06580	46.4
129.01979	4.9
130.14560	1.5
154.75873	1.3
161.81148	1.2
177.04054	8.9
222.85881	1.4
279.23337	22.6
338.34018	1.3
341.28528	31.3
341.31961	1.3
369.31674	14.0
395.29688	9.9
413.30630	28.2
457.29449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27327	1.2
59.01374	1.4
73.04073	18.1
81.96908	1.6
117.06670	3.0
130.08728	70.2
140.07108	1.3
144.94701	1.4
169.09836	2.7
179.07057	1.8
186.12482	3.2
187.84361	1.4
193.04788	1.6
199.18163	19.3
208.13380	2.1
225.16113	2.8
243.17067	3.4
252.91148	1.5
281.19757	1.3
312.26624	35.6
369.28796	6.2
386.44003	1.4
413.27670	17.2
456.73587	1.4
457.16745	2.6
457.30368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25501	0.7
81.03457	12.3
83.05018	100.0
84.01329	0.9
87.00874	1.4
93.34763	0.9
101.06082	5.1
106.83914	1.0
111.55876	0.9
127.03988	7.4
145.05054	17.8
201.07684	5.4
219.08664	7.3
255.23300	29.1
457.31757	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	5.2
99.56820	2.1
107.83104	2.2
109.06589	24.7
114.46169	2.5
116.94302	2.5
194.63193	2.4
273.85666	3.0
293.24808	2.8
327.20258	2.5
341.28519	3.5
355.29999	17.3
357.31747	21.0
369.31799	3.5
375.25043	3.7
379.30344	2.6
382.18140	3.0
385.31097	13.2
395.29251	3.0
395.33743	3.3
397.31168	62.1
411.32663	4.5
413.28842	3.5
413.34286	75.8
415.32462	2.6
457.33383	100.0
478.00348	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.82782	0.7
66.99803	0.7
80.88598	0.8
83.45270	0.9
107.05020	11.1
109.06580	95.3
241.72360	1.0
303.26981	32.2
355.30139	10.4
357.31699	1.2
395.33292	10.3
409.70938	0.9
411.32791	12.1
413.34311	5.0
457.33377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14049	0.5
65.11228	0.6
82.27435	0.6
92.42027	0.8
107.05021	7.3
109.06586	100.0
214.44830	0.7
256.23755	1.3
285.09967	0.7
303.26974	31.3
337.62860	0.8
353.42053	0.7
357.31607	3.2
383.33310	1.2
395.33237	4.4
411.28860	1.1
413.34210	13.2
429.29953	1.3
431.35297	3.6
439.28296	1.2
448.84982	0.9
457.33368	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15707	1.6
57.03446	7.3
59.01369	2.8
61.45329	2.0
64.07438	1.7
70.51769	1.6
71.05014	18.3
72.67805	2.1
89.02454	7.9
103.03964	2.3
117.43843	1.9
188.47975	2.0
255.23376	18.6
267.26950	89.1
281.28552	54.0
292.71271	2.1
309.28033	2.3
313.77966	1.9
323.29739	2.8
325.31122	22.6
369.30093	94.3
371.31790	12.9
457.35501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53053	2.0
57.03446	11.6
57.91804	1.9
61.98823	3.2
71.05032	18.7
79.04288	1.9
82.68991	1.8
123.39275	2.3
138.73792	2.2
139.05508	2.2
267.26959	100.0
281.28522	46.9
307.30093	3.4
309.28012	2.6
314.50204	2.1
325.27878	3.4
325.31046	19.5
369.30078	85.9
371.31857	9.5
457.35535	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
64.19231	0.7
66.90778	0.7
71.01371	3.5
72.99361	0.9
85.02957	7.1
96.04572	0.8
97.02922	7.5
98.02471	55.3
99.00908	1.7
104.19666	0.9
108.04567	8.1
109.02921	0.8
110.02496	0.9
113.02408	0.9
115.04003	35.0
126.05618	1.2
136.40523	0.8
152.03545	7.0
154.01505	1.2
176.49188	0.9
177.94672	0.8
179.40552	0.8
198.04097	5.1
224.05589	1.1
242.06763	23.8
358.11414	17.8
458.13123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
71.01373	3.2
75.65118	0.7
82.02993	1.0
85.02950	5.1
92.23131	1.0
97.02968	7.7
98.02475	52.7
99.00893	1.3
108.04534	6.7
110.78129	0.8
113.02420	1.0
115.04001	33.4
115.26081	0.8
124.04051	0.9
126.02010	0.8
126.05625	1.0
152.03510	6.3
154.01477	1.4
161.04608	0.8
168.67543	0.6
169.99454	0.7
198.04123	5.2
212.05609	0.9
242.06741	20.9
342.08426	0.9
358.11526	20.6
458.13116	100.0
461.27499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27844	0.4
58.75863	0.4
61.98832	100.0
72.79989	0.5
81.92439	0.5
90.94732	0.5
191.05655	0.5
234.95280	0.5
331.69434	0.5
414.86044	0.6
458.15173	0.9
466.18219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42939	2.2
61.98829	100.0
61.99147	3.4
67.20497	2.0
71.74562	2.2
71.75011	2.1
112.63201	2.5
113.78242	2.5
119.45402	2.5
128.47884	2.8
142.82291	2.4
174.53024	2.5
296.75418	3.3
364.63739	2.8
390.21524	2.5
412.29837	3.2
458.25107	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
73.10107	3.5
88.49808	3.7
97.44602	3.7
99.10525	3.6
147.88123	3.5
151.49704	3.2
158.00153	3.6
210.96547	3.4
232.58678	3.5
312.05963	4.5
407.48444	3.7
424.42850	4.5
458.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59700	1.3
52.62994	1.3
57.53102	1.3
58.62378	1.4
59.01391	2.1
61.98832	100.0
72.12026	1.4
80.96163	1.6
84.69191	1.4
87.03446	1.6
88.02963	1.6
90.54377	1.4
203.71909	1.8
445.07791	1.7
458.30026	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.11062	1.0
67.93053	1.0
67.93504	1.1
70.70279	1.1
71.01377	1.7
108.08183	5.9
112.04016	1.7
114.05590	19.9
126.09247	2.5
140.07178	13.7
152.07170	7.2
158.08223	9.0
162.16888	1.2
170.08218	23.8
191.23538	1.3
225.22272	9.1
253.21758	2.4
255.23323	2.1
324.88486	1.4
348.29074	1.4
390.50775	1.2
440.29929	2.8
458.31326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40231	2.0
57.99001	2.4
66.22433	2.6
72.99313	22.2
78.95922	10.6
92.23125	2.7
96.96966	26.6
98.97382	4.1
99.92591	29.1
100.93362	92.4
115.92071	71.0
116.92860	19.2
123.04545	4.9
135.04443	3.1
140.96489	2.9
142.94409	10.0
147.83382	2.5
149.02432	21.4
151.04004	50.9
166.39763	2.4
170.93933	9.4
179.03519	11.5
197.04546	27.8
198.04948	10.2
199.05089	19.1
204.95943	3.0
218.97556	12.9
226.96562	18.2
232.95502	27.3
233.96280	26.4
234.97054	30.7
235.97781	8.6
244.97517	23.1
359.09921	12.4
361.10352	40.7
379.01254	37.2
397.02408	100.0
459.02469	76.3
459.08087	8.8
480.43472	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65169	1.3
64.01176	1.4
66.65304	1.5
70.73547	1.6
71.27055	1.4
72.99287	13.2
78.95900	7.5
79.24844	1.7
85.28385	1.6
86.52492	1.6
96.95997	13.4
96.96958	14.0
98.95585	17.1
98.96423	2.6
98.97389	2.0
99.92588	23.0
100.93359	70.6
107.41579	2.1
115.88380	1.7
115.91239	3.6
115.92067	100.0
116.92857	21.9
123.04433	2.5
141.93590	2.1
142.94449	7.1
149.02483	18.4
151.04010	34.8
168.96002	3.3
170.93901	10.2
179.03542	4.3
184.50717	1.9
189.02420	1.8
197.04587	22.0
198.04991	2.8
199.05031	12.9
203.63304	1.7
204.95959	3.8
205.96825	3.2
218.97549	4.1
226.96536	21.2
232.95464	29.7
233.96248	28.5
234.97050	32.0
235.97816	7.7
244.97491	23.7
260.98587	2.2
277.63708	1.8
326.88934	1.6
359.09879	3.5
361.10416	25.1
379.01266	36.3
397.02304	85.2
459.02441	69.7
459.07977	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49571	1.7
72.99297	23.4
78.95920	11.3
96.96026	8.1
96.96952	28.6
96.97519	2.6
98.95583	9.9
98.97375	3.6
99.92581	26.2
100.93359	86.2
115.92075	100.0
116.92860	25.4
123.04501	4.1
127.13507	2.0
135.04530	3.5
142.94420	4.1
149.02451	18.6
151.04015	47.6
156.92284	2.3
167.95326	2.3
168.96014	3.5
170.93910	11.6
179.03520	10.7
181.03975	3.9
184.95370	2.1
196.95415	3.6
197.04552	33.2
198.04964	11.2
199.05035	19.5
204.96027	3.5
206.97635	3.1
218.97501	10.6
226.96495	18.3
232.95502	28.8
233.96266	28.1
234.96956	27.6
235.97975	5.5
244.97534	26.2
259.97766	3.6
359.09879	11.7
361.10489	43.2
379.01257	46.9
397.02374	83.1
397.07672	2.8
458.95831	3.1
459.02380	81.1
459.07971	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33854	1.5
54.38212	1.2
57.70895	1.3
72.99302	8.4
78.95886	2.7
81.05708	1.4
84.33664	1.4
96.95998	7.7
96.96965	9.1
98.95569	8.4
98.97368	2.5
99.92577	23.9
100.93349	73.1
112.51981	1.4
112.61301	1.6
115.92063	100.0
116.92851	27.9
123.04501	6.4
142.94376	8.4
149.02388	20.4
151.03992	47.4
156.92310	2.7
168.95979	3.6
170.93932	10.3
179.03528	2.2
197.04553	7.9
198.05003	1.7
199.05122	3.1
204.95987	3.6
206.97618	2.7
218.97511	7.0
226.96559	25.4
232.95456	32.4
233.96257	30.1
234.97035	31.6
235.97830	7.0
244.97569	28.9
260.98343	2.0
262.96588	2.9
277.95245	2.4
287.97534	5.8
359.09833	3.8
361.10468	12.3
379.01285	47.3
397.02347	98.8
459.02414	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49850	1.3
64.71305	1.5
73.55427	1.3
74.14595	1.4
80.89700	1.4
171.70084	1.8
191.03529	3.7
345.07745	1.9
373.07397	3.1
387.09213	1.9
391.08270	9.0
397.07312	6.1
431.07764	10.3
441.06274	3.3
459.07269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66631	0.5
51.54228	0.5
54.19650	0.6
59.01369	1.7
69.97546	0.7
71.01379	0.8
72.99294	2.8
74.21110	0.7
74.55268	0.6
75.00868	0.9
83.36613	0.6
89.02438	0.7
92.07632	0.6
116.92841	6.8
135.02966	20.0
135.04498	44.6
161.02449	5.4
178.29198	0.7
179.03502	100.0
197.04494	5.5
210.00032	0.7
226.96851	0.8
231.01555	0.7
284.11301	0.8
297.06091	2.7
323.07623	0.9
341.08844	9.9
359.09842	3.1
381.83011	0.7
438.93576	0.7
459.11380	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1304
Annotation	Apigenin 5,7-dimethyl ether 4'-galactoside
Peak:m/z	Relative Intensity
53.57062	0.5
54.22090	0.5
59.01384	4.6
66.97788	0.7
67.83723	0.7
71.01391	0.6
92.43069	0.6
100.92274	0.7
105.22868	0.7
123.38328	0.8
131.04562	0.7
201.11319	0.6
204.78493	0.7
225.05592	5.8
239.07149	46.1
251.07321	1.4
253.05139	3.4
267.03677	1.0
267.06631	42.8
268.07407	19.9
296.06927	81.7
297.07626	10.4
300.06418	1.0
315.06479	0.6
343.21408	4.8
459.13083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29361	0.5
59.91383	0.5
60.84155	0.4
62.97886	0.4
73.02946	28.9
80.50802	0.5
89.02463	0.6
99.00859	3.9
110.47823	0.5
117.01934	100.0
191.05606	3.0
341.11111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36009	0.5
59.01381	2.6
71.01396	2.3
72.72707	0.5
81.80281	0.5
89.02424	3.9
89.73788	0.5
92.23021	0.6
101.02441	2.6
113.02482	1.2
117.03452	1.0
119.03497	1.0
119.05032	0.7
133.02977	5.6
133.73454	0.5
135.03008	1.2
135.04529	8.9
135.05539	0.8
135.06642	1.1
145.02974	3.4
159.04619	0.6
161.02448	100.0
163.03995	1.3
179.03508	13.5
218.73766	0.5
221.04559	0.9
281.06931	0.8
306.86121	0.6
322.27487	0.6
364.34634	0.6
459.15298	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25241	0.6
59.01377	5.5
60.55149	0.7
71.01385	5.1
89.02428	4.9
101.02439	3.6
113.02444	1.6
117.03467	7.2
119.03510	1.1
119.05022	17.7
125.51497	0.7
135.04521	1.3
145.02957	100.0
151.06108	3.6
161.02452	21.5
161.06123	6.3
163.04018	38.9
177.05557	4.0
179.03447	3.2
191.68556	1.0
193.05000	1.0
205.05087	9.6
265.07169	4.5
378.81012	0.9
459.15146	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63059	1.6
54.73833	2.5
55.54906	1.6
56.81573	1.7
59.01386	28.9
60.70041	1.9
63.64663	1.9
71.01382	42.7
71.33267	1.8
73.02946	13.9
73.82439	1.9
74.88683	1.7
75.03827	1.9
78.95909	22.5
82.93788	1.9
83.01412	3.8
84.95845	1.9
85.02953	22.6
96.96958	62.1
99.00867	8.2
99.31635	2.5
101.02439	26.1
113.02438	23.4
115.04005	8.3
123.00887	70.5
124.01656	46.8
125.02429	2.8
138.03232	89.8
139.04022	100.0
149.02426	2.6
159.02937	4.3
161.04559	94.6
178.02777	2.6
236.96078	2.0
301.09378	54.1
416.50946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31607	1.1
59.01381	13.9
71.01382	9.1
71.19532	1.3
72.99310	10.0
85.02960	1.5
88.66575	1.5
89.02444	3.7
89.33532	1.4
101.02451	8.3
113.02466	2.9
119.03515	1.5
121.05060	2.2
123.00932	2.5
124.01707	2.3
134.03729	29.8
135.04536	2.0
137.02473	2.0
138.03229	2.2
139.04025	8.0
149.02454	2.5
149.06067	3.0
152.01167	2.1
160.01656	40.5
161.04579	6.9
164.04785	10.8
175.03999	100.0
179.03503	9.4
179.07150	2.6
193.05072	31.1
197.04572	20.6
208.03819	31.8
223.06120	43.9
235.06097	2.8
242.40965	1.6
286.74472	1.8
301.09308	2.4
359.10007	9.4
459.15213	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94310	1.5
51.99990	1.3
59.01385	3.5
62.52731	1.2
66.99682	1.5
67.64982	1.3
69.20338	1.3
72.99302	64.1
72.99687	2.7
73.85178	1.6
101.02402	1.7
111.00868	3.0
123.04505	19.9
135.04524	25.9
179.03513	61.7
181.05032	3.0
197.04565	100.0
272.00708	1.6
281.07245	1.5
341.08820	2.3
359.10010	2.6
399.20416	2.4
401.11053	10.0
459.15170	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03033	0.6
53.64497	0.5
56.36706	0.5
59.01382	100.0
109.29076	0.6
145.38455	0.6
152.75697	0.6
162.17653	0.7
459.11456	0.8
459.17609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	49.7
59.62717	1.0
62.85428	1.0
63.76770	0.9
71.01378	28.0
71.01775	1.1
73.02968	1.0
85.02953	4.5
85.20267	0.9
89.02433	52.2
95.01379	1.9
101.02432	26.3
113.02428	16.0
117.01940	6.4
119.03490	23.6
131.03520	1.2
137.02454	1.2
137.67461	1.0
143.03510	1.4
149.04500	1.2
152.52544	1.1
168.46710	1.2
179.05579	2.4
181.93697	1.3
191.05626	19.0
234.94307	1.1
246.08067	1.3
267.07178	1.9
279.10858	100.0
345.42163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1796
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
50.98914	0.8
54.31030	0.8
58.55798	0.6
59.01377	1.5
61.98808	0.8
78.95905	57.8
78.96371	1.9
80.57546	0.9
86.81694	1.1
90.57401	0.8
91.61286	0.9
96.96950	4.7
109.78907	0.9
150.97940	1.1
152.99585	100.0
153.79344	0.9
171.00653	1.7
249.14915	1.1
270.27969	0.9
343.21130	1.5
459.17889	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1797
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
51.15508	0.2
56.40322	0.2
59.01383	2.0
61.17275	0.2
64.11376	0.3
68.38189	0.3
78.95899	30.2
85.32421	0.3
86.66638	0.3
89.56428	0.3
96.96944	4.4
113.57281	0.3
131.04620	1.2
135.08133	0.6
150.98021	1.7
152.99586	100.0
154.69402	0.3
171.00655	5.0
189.01535	0.3
197.11743	0.3
249.15016	0.5
325.20062	0.5
343.21237	1.2
459.17950	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58003	0.6
53.18313	0.5
56.03188	0.7
57.03448	2.7
59.01098	1.0
59.01385	21.7
63.23419	0.5
69.39458	0.6
71.01389	4.1
72.99306	0.9
89.02428	7.6
90.18814	0.7
101.02431	3.3
110.57041	0.7
113.02415	3.8
119.03514	3.8
123.08148	43.6
135.08150	0.8
143.03520	0.9
160.66537	0.6
161.04546	2.9
165.09218	3.6
167.07097	6.4
174.34010	0.6
175.11258	1.1
177.09213	7.3
178.09988	23.0
179.05603	11.1
179.07100	1.3
179.10754	1.2
183.75266	0.7
192.07994	1.0
192.87041	0.6
193.12354	16.5
203.06975	0.9
209.70424	0.6
210.08948	1.6
219.10252	27.7
237.11334	100.0
249.89494	0.7
279.12491	0.7
382.79227	0.8
459.18372	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68590	0.6
54.96672	0.5
59.01382	100.0
71.01382	1.6
73.02947	1.5
77.88599	0.6
85.02973	1.3
87.00880	13.8
89.02444	3.9
101.02444	3.4
108.89715	0.9
113.02451	1.5
357.15442	1.5
399.16522	15.5
439.20816	0.8
459.19345	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34898	0.8
59.01383	10.6
60.97545	1.3
62.99095	1.6
71.01387	1.4
72.99289	1.6
73.98328	1.5
74.99080	6.6
86.67883	0.9
87.00867	22.3
102.80766	0.9
113.02403	1.1
131.24886	0.9
132.99670	1.7
135.98332	5.4
151.00832	1.0
242.25862	1.4
283.11694	1.1
307.22906	15.1
325.23871	8.6
343.21246	7.6
343.78165	1.0
351.21738	1.9
353.21854	3.5
371.23105	1.2
399.20764	2.7
459.24304	100.0
475.20773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
60.97519	1.3
61.12597	0.7
62.99087	1.6
63.96228	1.4
71.01381	6.0
71.05036	0.9
72.99306	2.2
73.98318	3.4
74.99091	7.8
82.94650	0.8
87.00876	27.2
87.04505	1.3
113.03512	1.0
115.00356	3.8
132.99692	1.0
135.98328	8.0
136.99135	1.4
147.09033	0.8
148.50453	0.8
168.09576	0.8
171.10283	4.5
201.11417	0.9
209.11868	1.6
211.13477	1.9
229.14417	3.7
291.35007	0.9
307.22833	14.9
325.20508	1.1
325.23895	4.8
343.21301	26.9
351.21970	1.3
353.21545	5.4
371.22687	3.4
459.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2526
Annotation	Vielanin B
Peak:m/z	Relative Intensity
56.11954	1.5
58.49883	1.3
62.07601	1.7
63.37801	1.6
70.86062	1.7
71.85375	1.6
76.19999	1.6
78.95905	15.3
125.00071	8.9
132.40071	1.7
152.99571	6.4
167.81007	1.7
181.02730	11.0
277.21735	100.0
401.95630	1.7
430.39575	1.8
459.25165	58.1
459.32138	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06528	0.4
78.95900	42.1
81.97785	0.4
89.16512	0.4
92.23082	0.5
95.42788	0.4
96.96938	4.0
111.97408	0.4
119.34763	0.4
128.21558	0.4
133.27505	0.4
150.98026	1.9
152.99585	100.0
171.00644	2.5
226.44861	0.4
305.24756	0.9
459.25217	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67282	0.7
55.77470	0.6
59.04995	0.8
69.87761	0.7
75.39269	0.8
78.95903	17.1
94.00771	0.8
125.00106	7.8
152.99579	7.7
181.02698	10.2
199.03795	2.0
204.10298	0.9
250.51384	0.9
277.21735	100.0
295.51520	1.0
349.94312	1.0
355.95059	1.0
459.25211	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91584	0.8
59.01367	1.3
78.95907	15.1
84.33242	0.9
84.47787	0.9
88.02724	0.9
98.53146	0.9
114.78297	1.1
125.00106	7.0
131.27419	0.9
152.99593	6.0
181.02715	12.9
199.03859	4.2
247.42194	0.9
259.20444	1.7
274.22693	1.1
277.21741	100.0
296.62204	1.1
298.84482	1.0
329.18219	1.1
459.25211	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2524
Annotation	Vielanin B
Peak:m/z	Relative Intensity
54.26262	0.4
54.53865	0.5
62.62281	0.5
63.67189	0.5
65.76980	0.4
78.95901	39.0
92.13353	0.7
96.96955	3.3
112.43488	0.5
150.98013	1.2
152.99586	100.0
171.00623	2.7
213.62592	0.5
305.24966	1.1
315.22131	0.6
446.09702	0.6
459.25223	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17140	0.4
56.74781	0.4
60.51299	0.4
62.52334	0.5
64.78468	0.4
78.95904	42.7
96.96969	4.4
111.00757	0.5
131.28600	0.5
146.54207	0.5
150.00720	0.5
150.97919	1.0
152.99588	100.0
171.00629	2.5
225.43506	0.6
241.31755	0.6
305.24731	1.0
321.54959	0.6
333.56335	0.6
334.67737	0.6
459.25214	35.0
472.43002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01376	15.8
73.02940	1.6
83.05022	3.4
83.54268	0.7
85.02940	6.1
87.04517	1.5
89.02450	2.0
90.50529	0.8
92.23066	1.2
95.01383	1.2
97.70809	0.9
101.02448	7.4
113.02430	8.7
115.00349	1.1
117.53590	0.7
149.24002	0.7
161.04553	1.8
171.10266	4.6
200.79156	0.9
201.11316	8.5
219.13910	1.1
235.23586	0.8
237.14926	1.3
246.17242	0.9
255.16063	1.5
288.45404	0.8
343.21265	22.5
399.18951	1.7
399.23920	28.2
417.25031	6.2
421.21054	1.6
459.21350	1.5
459.26279	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.276
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
58.24971	0.6
64.51795	0.6
74.04733	0.6
74.25619	0.7
119.71288	0.8
129.90199	0.6
133.02992	5.7
134.03769	1.1
135.04523	4.0
148.26811	0.7
161.02446	100.0
179.03535	2.9
297.24417	14.9
380.48135	0.8
408.11002	0.8
415.32556	0.8
441.26547	3.2
459.27570	61.7
470.55640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2911
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
57.29953	0.8
67.29351	1.0
77.84158	1.0
107.04376	1.2
107.05033	18.6
118.22611	1.0
118.34728	1.0
129.00092	0.9
163.11288	93.7
250.83171	1.2
277.21686	2.2
279.23312	6.1
283.17041	48.5
295.17004	20.4
361.23660	1.6
425.42780	1.0
427.74881	1.0
459.29111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
51.46772	0.7
56.94704	0.8
57.36709	0.8
59.01364	1.0
60.48796	0.8
86.70098	0.8
92.87915	0.9
94.04227	4.8
95.05013	12.5
164.20505	0.9
178.80489	0.9
192.99962	0.9
221.68802	0.9
268.31546	0.9
279.23425	1.0
353.32175	2.2
355.30078	14.0
369.31631	1.9
371.33206	100.0
387.32651	1.5
415.32217	17.5
459.31232	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3124
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
69.03454	4.8
69.79819	0.9
101.98839	1.0
107.05029	0.9
109.06590	60.5
131.22464	0.8
140.34479	0.9
144.43336	0.9
162.53160	1.0
303.27002	2.1
341.28622	1.2
343.30106	43.4
368.94662	1.1
371.33237	22.3
379.29724	1.1
397.31183	14.1
415.32227	43.9
459.31271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3485
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
51.79464	0.3
63.72099	0.3
72.90059	0.3
82.89836	0.3
92.23097	0.5
101.36973	0.4
133.02950	3.1
134.03741	6.1
135.04503	5.9
137.02428	2.3
139.04012	0.8
161.02432	13.3
178.02754	1.4
179.03502	6.3
185.27916	0.4
195.26201	0.4
221.44273	0.4
310.22498	0.3
459.34857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3487
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
60.08137	1.5
79.55532	1.8
111.29560	1.8
127.15918	1.7
179.25974	1.9
181.12349	8.6
199.13423	45.9
277.21765	100.0
459.34732	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.349
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
65.33030	1.6
78.56300	2.4
79.32781	1.5
88.09647	1.8
89.26906	1.7
99.75031	1.7
101.96011	1.7
131.31937	2.1
134.44713	1.7
137.07855	1.7
148.69487	2.0
148.93716	1.8
151.08238	1.5
183.93294	1.7
222.32088	1.7
235.88855	2.4
249.33344	1.8
265.14709	1.8
315.67892	1.9
365.42560	1.7
397.34692	30.9
402.62091	1.9
412.85675	1.8
415.35864	100.0
459.34885	83.5
482.61221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3486
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
57.03448	3.3
59.01384	5.6
60.99319	1.8
64.24837	1.3
65.06937	1.2
65.12164	1.3
69.03449	1.5
71.28945	1.2
97.06571	1.7
112.38802	1.2
113.06070	9.9
125.09717	9.8
128.48453	1.5
131.55853	1.3
133.11176	1.4
141.41183	1.4
151.76849	1.5
169.08662	14.7
289.25375	9.9
291.27109	7.7
338.96075	1.3
371.33105	8.6
387.32761	8.2
415.32062	2.9
459.35306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42617	0.7
76.70736	0.8
78.95925	2.9
88.81603	0.9
102.10948	0.8
116.72733	0.8
152.99629	1.3
155.14444	3.0
169.15950	1.2
181.02681	0.8
183.79108	0.7
185.15485	3.2
197.15497	0.8
213.14963	4.6
237.18552	3.8
243.16026	10.9
255.15800	0.8
255.19730	1.3
273.20660	0.9
277.21750	7.5
347.94894	1.0
423.34796	1.5
439.34540	0.8
441.35861	10.5
457.35345	10.7
459.25555	5.8
459.36984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49157	1.1
59.01385	2.2
62.69598	1.2
89.02448	3.2
105.91713	1.2
118.01464	100.0
118.02312	3.3
119.03516	1.8
162.93137	1.2
179.05591	2.0
187.17305	1.3
189.63765	1.2
261.59232	1.2
341.10947	18.3
376.75793	1.3
396.76401	1.3
460.12875	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20941	0.3
59.01362	0.3
64.71955	0.2
71.01372	0.5
71.61520	0.3
72.00900	4.1
79.49206	0.2
80.04939	0.2
93.03455	4.6
106.04219	0.4
109.47395	0.3
119.05011	7.2
136.07661	0.6
136.51208	0.2
163.02641	0.6
163.04012	18.5
180.06670	100.0
191.05641	0.6
192.06020	0.3
238.55432	0.3
279.10825	1.0
460.18436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24836	0.7
51.30634	0.6
52.45017	0.7
59.01381	1.5
71.01384	9.5
73.02944	3.1
73.81052	0.8
85.02943	5.6
89.65274	0.7
92.23078	1.1
95.94862	0.8
96.23698	0.7
97.16008	0.8
99.00907	0.8
101.02444	7.5
106.04246	100.0
107.90333	0.8
108.02190	8.5
113.02441	4.2
115.50024	0.8
115.92069	1.1
116.92145	0.9
120.01237	1.2
138.03232	2.0
138.36282	0.9
161.04590	9.2
176.07133	3.2
205.97598	0.9
249.71075	0.9
298.14517	98.9
398.02524	5.0
460.20172	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1985
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
61.24771	0.9
67.23267	0.8
71.01373	9.5
73.02928	2.0
78.54228	0.7
83.01395	1.0
85.02950	4.4
86.23454	0.9
92.00489	0.8
93.87511	0.8
95.01313	0.9
99.00874	1.4
101.02441	5.1
106.04238	96.7
107.05009	1.5
108.02158	6.9
109.88687	0.8
112.01247	0.9
112.60436	0.9
113.02414	3.9
118.95132	0.9
138.03233	4.0
159.02934	1.1
161.04601	10.6
167.07550	0.9
172.82597	1.0
176.07224	1.2
265.53497	1.0
298.14508	100.0
340.15372	0.9
460.20038	8.2
472.03293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11174	0.8
57.47763	0.8
59.01389	2.2
61.44420	1.0
64.06917	0.9
71.01376	9.7
73.02963	1.1
74.86558	1.0
81.03506	1.1
85.02946	7.2
95.01409	1.0
99.00923	1.1
99.92604	1.6
100.92587	1.3
100.93362	5.3
101.02428	5.6
101.93346	2.4
102.83366	1.0
106.04243	100.0
108.02168	10.9
113.02446	5.3
115.92072	8.5
116.92077	4.4
116.92867	3.9
117.92827	1.4
123.04506	1.3
133.03046	1.3
138.03238	2.6
149.02501	1.6
151.03995	6.0
161.04530	9.1
176.07178	1.3
191.46643	1.1
192.85091	1.4
226.96355	1.1
227.96593	1.7
233.95839	2.4
234.96468	2.6
235.97267	2.0
244.97531	1.5
245.97687	1.6
255.03287	1.1
298.14508	98.1
335.31430	1.1
340.15826	1.7
380.01590	6.9
398.02502	18.5
460.02850	9.8
460.14359	1.5
460.19800	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11546	0.8
59.01381	1.9
61.38149	0.8
71.01381	9.1
73.02924	1.6
83.01405	1.1
85.02941	4.8
93.86877	0.9
95.01360	1.2
101.02460	7.2
106.04241	95.0
108.01522	0.9
108.02145	8.5
109.90658	0.8
113.02460	6.5
121.38602	0.9
129.94829	0.9
138.03214	2.1
160.58260	0.8
161.04524	9.5
173.44635	0.9
176.07227	1.2
298.14517	100.0
379.75644	1.1
460.20160	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51585	0.4
60.29958	0.6
61.98834	100.0
81.24921	0.6
91.36907	0.6
123.92206	0.5
188.65152	0.6
190.12474	0.6
199.13428	0.7
255.16260	0.7
267.19446	1.1
311.18832	0.6
341.33463	0.7
397.26001	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3288
Annotation	D-Glucosylsphingosine
Peak:m/z	Relative Intensity
59.01381	2.1
63.38605	1.0
71.01372	1.7
73.02914	1.6
78.95910	13.8
95.04984	2.4
99.04525	1.6
109.06565	9.3
113.06041	1.3
115.04021	2.3
124.07647	1.2
130.08710	1.3
134.92513	1.3
145.05077	6.9
151.48340	1.1
152.99594	28.3
153.99925	2.2
157.05046	1.9
190.16196	1.1
206.10373	1.4
225.22261	25.5
253.21764	4.9
270.24411	6.0
271.22772	16.6
312.25464	4.4
314.26889	1.4
344.37729	1.4
350.30734	2.3
442.31726	5.2
460.25937	9.9
460.32864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03850	0.3
54.77252	0.3
67.56584	0.3
72.70552	0.4
86.49166	0.3
108.51396	0.4
110.02454	0.5
120.04575	0.5
121.02951	0.7
122.02455	2.1
123.03261	11.1
136.04036	1.7
137.04822	1.0
138.05614	100.0
149.01208	0.9
164.03539	31.0
171.54439	0.5
196.47929	0.4
207.38705	0.4
313.77704	0.4
360.31927	0.5
427.83307	0.5
460.34390	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0883
Annotation	Antibiotic DC 116
Peak:m/z	Relative Intensity
52.74083	0.6
54.15691	0.6
61.80966	0.6
65.59321	0.7
69.25739	0.7
73.17014	0.7
79.26463	0.6
95.25276	0.7
126.64650	0.7
129.25114	0.7
159.85909	0.7
184.95619	0.7
186.34294	0.8
329.78879	0.9
351.36935	0.8
387.05139	1.2
389.02881	1.4
402.07605	1.3
403.04791	1.1
404.05396	1.3
417.06140	19.4
418.07062	17.7
419.07794	0.9
431.04108	82.0
446.06607	3.5
456.55359	0.8
461.08853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92939	0.7
54.01365	0.8
55.15654	0.7
59.01348	0.8
59.06724	0.7
80.66280	0.8
92.93160	0.8
104.36590	1.0
152.99582	1.2
387.04874	1.2
389.03067	1.4
404.05521	1.8
417.06171	26.8
418.06946	20.5
431.04102	88.9
446.06525	4.5
461.08850	100.0
480.95670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
65.21597	1.0
68.07755	1.0
71.01389	1.3
80.12212	1.1
81.03460	5.8
83.05016	4.4
93.03442	5.0
99.92581	1.6
100.93353	16.5
107.65959	1.1
109.02956	2.3
111.04509	56.7
115.92069	19.3
116.92853	21.4
119.04998	10.6
126.34730	0.9
127.04005	100.0
130.54420	1.1
137.02470	14.8
155.03510	65.8
163.04051	7.8
172.81839	1.2
199.02504	72.2
235.71217	1.2
256.46371	1.1
261.07700	8.6
278.61218	1.0
425.05569	6.4
443.74530	1.2
461.06769	8.7
461.16553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
72.73823	1.0
77.22268	1.0
81.03462	5.7
83.05013	4.4
92.26682	1.0
93.03483	2.2
100.93347	1.8
101.68898	1.0
109.02934	2.4
111.04522	51.1
115.92115	1.8
116.92854	5.1
119.05011	12.5
121.02984	1.5
127.04018	100.0
137.02437	9.2
150.03131	1.1
155.03514	71.3
163.04025	2.2
165.41212	1.1
175.31358	1.0
199.02513	74.2
203.78401	1.2
241.81708	1.1
261.07684	9.7
302.50906	1.4
323.48535	1.1
358.45795	1.2
368.88028	1.1
461.07727	1.8
461.16104	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.6
59.84863	0.8
63.72847	0.7
70.58512	0.8
80.96055	0.9
81.03465	6.3
83.05037	1.8
93.03462	2.1
109.02927	4.7
111.04512	52.5
119.05016	7.8
127.04007	100.0
133.42677	1.0
134.03766	1.2
137.02438	8.5
155.03511	58.1
163.03995	10.4
176.34663	1.0
187.06340	1.2
199.02501	70.8
217.08727	1.1
225.30122	1.0
261.07703	9.2
461.16519	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93320	0.8
55.00032	0.8
59.01376	3.5
62.69066	0.8
81.03452	6.6
81.18320	0.8
83.01382	0.9
83.05034	3.9
84.65794	0.8
86.87406	0.8
93.03436	4.6
99.00870	1.0
100.33205	0.8
111.04513	54.7
119.05026	11.3
127.04005	100.0
134.22006	0.9
137.02509	6.5
151.30392	0.9
155.03500	67.6
161.02382	1.1
163.04007	4.9
183.21397	1.0
199.02495	63.6
230.90485	0.9
261.07715	6.7
315.88339	1.0
361.69159	1.0
368.43228	1.0
461.16629	1.0
489.93506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	saccharumoside D
Peak:m/z	Relative Intensity
57.08305	0.4
59.01374	2.6
65.29197	0.4
71.01373	1.8
72.99323	0.4
73.02922	1.0
75.00866	0.5
85.02956	0.7
87.00867	0.7
89.02438	2.6
93.03403	0.6
94.47512	0.4
97.02919	0.6
99.00854	9.2
101.02420	1.0
109.02943	20.1
113.02419	1.9
115.03996	3.5
121.02937	5.3
123.04485	3.1
131.03474	1.6
131.04556	0.9
137.02431	2.6
139.03989	1.6
149.02428	7.7
151.04031	3.0
154.49034	0.4
161.15149	0.4
163.04057	0.5
164.01144	0.8
165.01909	4.2
166.02705	7.2
167.01427	0.5
167.03494	15.5
167.04828	0.9
172.60533	0.4
179.03490	0.7
191.05579	1.0
197.04713	0.5
209.04575	0.7
221.04588	1.9
240.27713	0.4
243.28889	0.4
286.94092	0.4
311.07700	2.7
329.08807	42.4
361.54742	0.5
375.62143	0.4
461.13080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00624	1.1
50.21284	1.5
51.71870	1.2
53.84760	1.6
58.55833	1.4
59.01382	95.8
71.01369	11.4
72.99308	9.0
73.02964	1.8
83.01369	2.0
85.02942	12.3
89.02446	2.2
95.01348	2.5
97.02971	1.4
99.00858	2.2
101.02474	8.3
113.02451	15.7
113.26501	1.7
123.04504	2.5
125.21709	1.6
135.04536	7.1
141.01950	100.0
161.04555	20.8
165.85083	2.0
179.03519	9.5
196.26195	1.6
197.04527	20.0
203.10815	15.2
221.11833	62.0
303.07245	28.1
383.17102	19.8
401.10831	10.9
461.13022	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
76.19688	1.9
89.02407	3.4
93.03357	2.2
101.02462	2.9
102.05537	2.6
109.37981	2.1
113.02472	2.6
115.04000	18.8
119.01192	2.3
137.02498	9.0
265.09088	2.6
297.29306	2.5
390.30920	2.4
425.17096	2.8
431.05536	2.7
461.14261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1441
Annotation	Exoticin
Peak:m/z	Relative Intensity
59.01378	3.8
76.19688	1.9
89.02407	3.4
93.03357	2.2
101.02462	2.9
102.05537	2.6
109.37981	2.1
113.02472	2.6
115.04000	18.8
119.01192	2.3
137.02498	9.0
265.09088	2.6
297.29306	2.5
390.30920	2.4
425.17096	2.8
431.05536	2.7
461.14261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
74.51588	0.3
85.02944	2.8
93.03465	0.4
109.96471	0.3
114.20930	0.3
118.05067	0.7
119.03527	2.8
136.93965	0.3
145.49681	0.4
173.04585	0.7
178.94830	1.3
178.96027	2.7
191.05629	100.0
220.97171	0.5
269.08691	0.5
292.54626	0.4
308.56467	0.4
329.61188	0.4
461.05048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09581	0.7
72.99306	52.2
80.87076	0.8
121.10345	0.9
123.04527	23.8
135.04524	29.3
151.03989	1.2
179.03511	42.7
197.04570	100.0
254.09717	1.0
279.16422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
53.09393	0.7
54.47616	0.7
59.01384	33.6
66.28426	0.9
71.01376	22.4
73.02937	9.7
73.05383	0.8
79.82496	1.0
82.61157	0.9
85.02949	1.6
89.01881	1.2
89.02441	31.1
94.04669	0.9
95.01405	1.2
99.00874	48.3
101.02446	13.2
113.02450	19.6
113.57069	0.8
119.03471	7.3
131.03499	3.5
134.03737	2.2
149.04520	4.7
149.06082	3.7
161.04523	3.8
178.35988	1.0
191.05605	8.5
329.12451	6.1
422.62570	1.1
461.16748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90128	0.8
58.06397	0.9
59.01389	1.3
62.60861	0.9
72.99302	48.3
87.04417	0.9
109.02927	1.0
123.04522	21.6
135.04524	28.0
179.03503	50.6
197.04567	100.0
206.50148	1.0
254.17030	1.0
274.09769	1.1
340.02856	0.9
399.02530	1.6
461.13440	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81890	2.4
59.01384	52.3
59.04148	2.1
67.21813	2.2
71.01377	40.3
73.02940	10.6
85.02934	10.7
89.02438	52.0
89.14550	2.5
96.62921	2.9
98.20212	2.6
99.00873	46.7
101.02444	30.2
106.04256	6.6
107.04605	6.6
113.02464	30.4
119.03502	11.5
131.03491	4.5
137.02507	3.9
148.90341	2.5
149.04550	11.8
149.06044	6.2
155.06212	2.6
161.04614	4.6
179.07103	12.3
191.05612	14.9
220.58395	2.8
237.16870	3.0
279.31232	3.0
288.03192	2.9
299.14792	14.9
329.12460	5.5
368.41699	2.5
383.22766	2.6
458.14450	2.9
461.16464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.8
60.23171	0.5
64.75082	0.5
66.94952	0.5
71.01381	34.8
73.02948	7.3
83.01379	1.3
85.02940	6.1
87.00838	1.0
89.02438	44.7
95.01382	0.7
101.02443	23.1
113.02437	10.1
119.03474	5.1
125.02441	0.9
131.03485	15.9
134.03757	4.4
140.02100	0.6
140.03212	0.6
149.04568	7.7
149.05986	5.7
152.04797	0.6
167.07170	1.2
191.05614	7.1
244.54507	0.7
272.90613	0.7
329.12427	6.1
433.86014	0.6
461.16727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08472	0.7
57.03436	1.1
59.01384	18.7
64.68392	0.8
65.19402	0.9
67.51696	1.0
71.01376	34.9
72.99305	1.3
73.02943	13.7
80.83879	1.0
83.01393	4.6
85.02952	14.9
89.02444	4.7
95.01386	2.0
99.00881	8.3
99.70741	0.9
101.02445	40.7
113.02451	22.9
124.10909	1.0
125.02428	4.5
143.03496	2.0
153.70070	1.0
159.02979	5.0
161.04546	21.0
170.73878	1.0
171.11105	1.2
269.10324	38.6
364.15622	1.0
401.14557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87080	1.1
55.01874	3.3
56.49536	1.1
57.03447	1.5
59.01382	31.3
68.84521	1.5
70.35452	1.4
71.01373	20.7
73.02945	32.5
82.81626	1.5
83.01383	1.8
85.02957	10.1
89.02428	19.0
92.08127	1.3
99.00875	91.4
101.02434	26.2
111.00909	1.9
113.02450	16.4
115.04005	6.0
117.01938	33.4
119.03487	7.7
137.02495	1.4
141.81651	1.3
161.04544	8.3
169.35368	1.8
188.55672	1.5
206.20732	1.6
220.46683	1.6
247.68517	1.6
263.11374	65.4
326.60971	1.3
348.83621	1.4
372.81329	1.5
400.13794	1.6
452.61163	1.5
461.10806	3.6
461.16711	100.0
461.23773	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26464	0.6
59.01382	0.7
66.29689	0.7
66.36874	0.7
69.08350	0.6
72.99305	43.6
80.97202	0.6
96.96943	3.9
123.04527	20.7
134.03706	0.8
135.04527	25.9
179.03516	48.6
197.04573	100.0
263.07642	1.0
296.74786	0.8
422.13300	0.7
439.39142	0.8
453.22934	0.7
461.14709	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26173	0.6
59.01383	100.0
60.04919	0.6
61.98818	0.9
67.19178	0.7
71.01382	1.6
76.93999	0.7
78.95889	1.7
87.36230	0.7
91.01324	0.7
112.96564	0.9
139.11278	1.1
145.76102	0.8
152.99590	4.9
169.93095	0.8
171.10239	1.1
201.11362	1.1
327.21915	0.9
345.22849	3.5
411.89621	0.8
461.18250	3.0
461.23941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1954
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
53.50974	0.5
59.01382	3.2
61.98822	1.2
63.02872	0.5
67.49181	0.7
69.06438	0.6
78.95899	46.7
96.96976	4.7
113.51235	0.6
127.11318	0.9
137.09724	5.5
150.97987	1.0
152.99580	100.0
153.19806	0.8
155.10760	9.2
171.00653	3.3
171.10258	5.9
188.28575	0.7
210.32362	0.8
221.53416	0.7
235.43541	0.7
236.95784	0.8
307.19199	1.0
325.20251	1.4
340.94040	0.7
345.23065	0.9
461.19525	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16517	0.7
60.00919	0.7
61.98846	1.5
66.65930	0.7
66.95480	0.8
78.95899	48.4
96.96959	6.7
150.98038	0.9
152.99583	100.0
171.00688	1.9
171.30949	1.0
209.11734	1.3
219.25987	0.8
229.61621	1.0
272.39417	0.9
277.00018	1.0
327.22095	0.9
348.97198	0.9
461.12943	1.7
461.19531	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13704	0.6
52.25655	0.6
59.01383	40.5
71.01377	11.6
72.99303	2.7
73.02940	4.1
83.01387	1.4
85.02945	4.6
87.00852	0.7
88.39363	0.7
89.02441	9.8
90.02582	0.7
99.00889	1.1
101.02435	16.6
103.94312	0.7
111.00867	0.7
113.02438	7.9
119.03509	3.2
121.06551	1.1
131.03531	0.7
140.66240	0.7
158.54645	0.7
161.04559	2.6
169.57094	0.7
177.12843	4.4
179.03497	1.3
181.03969	1.1
195.13893	2.8
197.04565	1.3
198.04922	0.9
199.04942	0.9
221.11847	7.8
230.29605	0.8
334.36743	0.7
401.18225	100.0
461.13498	4.7
461.20395	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2037
Annotation	Valerosidatum
Peak:m/z	Relative Intensity
53.42156	0.6
55.01881	0.6
57.03448	0.9
59.01382	14.9
60.07936	0.6
61.37693	0.7
68.99568	3.2
69.45736	0.6
70.03844	0.6
70.05078	0.6
71.01377	27.3
71.91966	0.6
72.99300	1.1
73.02946	14.2
75.00865	1.0
83.01384	4.6
85.02948	11.3
87.00864	1.3
89.02431	7.7
97.02917	1.6
99.00883	8.6
101.02438	34.0
110.02473	5.3
111.00858	0.7
112.98576	6.0
113.02452	18.2
115.03991	1.6
117.97317	0.8
119.03496	0.8
125.02429	3.6
131.03441	0.9
131.07170	0.8
143.03467	1.3
159.02959	4.4
161.04550	17.3
191.05649	3.1
233.06619	1.1
274.85843	0.7
329.16049	9.2
461.20370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00463	0.8
51.03487	0.9
51.24721	0.9
51.74612	0.7
53.56943	0.9
59.01381	22.4
60.57470	0.9
67.82472	0.8
71.01382	9.5
72.99309	2.2
73.02949	3.5
75.00865	100.0
85.02918	3.5
87.00869	0.9
89.01974	1.2
89.02438	10.2
89.02927	1.2
94.69894	0.9
99.00900	1.4
101.02444	7.8
113.02456	4.0
119.03497	1.1
121.10146	1.1
132.30234	1.1
145.60622	1.0
157.37730	1.1
161.04543	5.3
176.33876	1.0
203.79852	1.0
221.11911	1.1
239.12909	2.1
329.16074	1.6
364.45895	1.1
392.38040	1.0
440.72708	1.0
461.20059	9.2
461.24628	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18232	0.6
54.09418	0.5
59.01380	4.0
60.27305	0.5
63.21027	0.6
71.01373	4.1
83.60709	0.6
85.02944	1.1
89.02408	2.4
92.23066	1.3
101.02416	2.8
113.02451	1.0
125.06032	1.5
139.36803	0.7
150.46786	0.6
161.04518	3.4
203.10791	24.9
210.36264	0.6
221.11835	100.0
231.06046	0.7
273.24088	0.6
383.17166	33.3
401.18103	1.5
413.71829	0.7
461.20575	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15150	0.9
57.47828	1.0
59.01385	13.3
67.61433	0.7
71.01379	29.8
73.02940	12.2
75.00876	4.4
80.22545	0.7
83.01379	1.3
85.02934	11.6
89.02433	11.9
95.01381	1.6
95.88875	0.7
99.00874	9.7
100.63083	0.7
101.02433	24.4
110.02454	1.6
113.02441	24.1
124.25649	0.9
125.02427	1.0
131.07127	4.9
131.20845	0.9
143.03481	1.2
145.48511	0.8
149.04617	1.4
159.03027	4.5
161.04562	17.7
167.10815	6.7
168.19122	1.0
191.05621	1.7
221.11792	1.1
329.16312	5.7
461.20370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85696	0.8
55.01882	1.3
59.01144	0.9
59.01381	18.0
71.01382	25.2
72.99289	1.3
73.02939	13.8
75.00841	1.1
83.01382	1.9
85.02946	12.2
89.02449	10.6
95.70281	0.8
99.00879	13.9
101.02440	25.6
107.05270	0.8
111.00900	1.0
113.02430	19.2
153.12318	0.9
159.02991	3.5
161.04564	17.8
163.19977	0.9
167.10750	5.1
180.09988	1.0
187.32454	1.0
219.10318	1.0
221.11801	1.5
295.07437	1.0
329.15942	4.7
461.20337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.13279	0.9
71.01382	1.8
72.36758	0.9
73.02940	4.4
82.38337	0.8
89.02438	1.3
91.22012	0.8
101.02436	3.4
113.02429	1.4
137.86665	1.0
152.99586	1.3
153.12863	26.9
161.04561	1.1
179.10809	8.7
197.11841	30.8
236.88831	1.0
250.43184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43555	0.7
51.40879	0.6
57.03429	1.1
59.01385	1.9
61.98835	0.9
67.01910	0.8
73.63512	0.7
79.66901	0.9
81.70753	0.7
85.02945	1.2
87.00870	21.4
109.87798	0.8
111.00876	100.0
173.00896	7.0
175.91689	1.0
269.21179	1.7
287.22250	4.7
461.17538	1.8
461.23962	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2401
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
57.81966	0.5
58.00602	1.0
59.01107	1.2
59.01385	28.5
71.01380	20.6
73.02939	5.7
75.39141	0.6
83.01367	3.0
85.02955	8.4
87.00896	1.0
89.02441	14.4
95.01369	1.4
99.00860	1.3
101.02443	20.6
110.54513	0.6
111.00869	0.8
113.02443	13.2
113.06084	1.1
119.03497	5.2
159.03001	0.7
179.14543	0.7
191.87100	0.6
229.77982	0.6
285.91461	0.7
324.47028	0.6
461.24014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71519	0.3
52.02856	0.4
61.21810	0.4
61.37974	0.4
71.01391	0.5
85.06583	13.8
89.02457	0.6
113.03555	0.5
114.02015	0.6
131.07140	100.0
150.26620	0.7
331.46466	0.5
402.89737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25761	1.0
54.95913	0.8
57.81140	1.0
59.01380	7.9
71.01373	4.4
85.79131	1.0
86.74374	1.0
89.02451	1.4
91.08797	1.1
97.06548	1.8
98.51295	1.0
113.02425	1.5
115.00369	1.8
125.09711	28.7
137.09674	2.2
148.38257	1.1
152.99483	1.8
153.12807	7.6
155.10791	35.1
171.10248	17.2
187.09756	18.9
190.40138	1.4
197.11821	10.5
199.09811	8.4
215.12839	14.4
217.10789	24.5
273.13446	6.3
291.14474	6.2
329.23428	1.4
345.22882	5.6
392.42462	1.2
396.69141	1.3
461.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
105.99879	5.4
140.54951	6.4
204.99405	6.3
217.08687	24.8
286.15781	7.2
401.33170	7.2
425.27155	100.0
461.32681	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64352	0.5
62.34584	0.5
62.96669	0.5
63.61935	0.5
78.95893	3.3
125.00066	1.3
134.39716	0.5
152.99530	0.6
166.17017	0.5
181.02658	1.2
191.59399	0.5
199.03741	3.2
219.63850	0.5
233.90056	0.6
238.97594	0.6
279.23300	100.0
422.56964	0.6
461.26758	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.6
51.47054	0.5
51.82081	0.5
59.98485	0.5
61.98816	1.2
66.44215	0.7
68.96429	0.6
78.95904	8.9
82.82865	0.7
113.53990	0.7
125.00099	5.8
142.64565	0.8
152.99594	5.4
154.22720	0.7
155.89301	0.7
181.02718	9.0
199.03790	1.8
199.50919	0.9
220.34178	0.7
279.23322	100.0
461.26874	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2683
Annotation	Kazinol K
Peak:m/z	Relative Intensity
57.63643	0.6
67.57177	0.5
70.00786	0.4
70.71482	0.5
74.98161	0.5
78.95904	42.1
82.58090	0.5
88.90954	0.5
96.96951	3.5
101.43561	0.5
125.57629	0.5
150.98003	1.0
152.99591	100.0
171.00627	2.0
192.50186	0.6
272.73755	0.6
307.26355	2.7
337.51114	0.6
458.73074	0.6
461.26770	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.24893	0.8
74.81934	0.7
92.23154	1.7
94.20941	0.7
112.64159	0.9
120.60919	0.9
120.66743	0.9
122.29575	0.8
145.18417	0.9
157.76375	0.9
267.19647	3.8
285.20700	11.5
309.20761	3.0
331.56839	0.9
350.76971	0.9
401.25595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	72.1
60.75257	1.2
61.98822	1.2
62.87889	1.4
71.01379	3.1
71.38712	1.3
72.26633	1.2
72.99323	3.5
73.17599	1.2
78.95905	24.7
85.02937	9.7
89.02420	3.1
91.03997	15.3
96.80683	1.3
99.26885	1.5
126.42655	1.4
127.03975	2.1
134.87379	1.3
137.09798	5.2
152.99580	43.6
171.10284	32.0
183.13882	6.8
189.12839	1.5
201.11472	1.9
211.13440	15.9
229.14465	8.3
239.12959	1.8
291.19760	2.7
309.20685	14.7
327.21805	100.0
375.30621	1.5
401.25586	9.8
461.19263	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2915
Annotation	Verbacine
Peak:m/z	Relative Intensity
59.01387	1.2
60.04302	0.8
61.98826	4.4
63.23933	1.0
68.79315	0.8
75.00883	0.9
78.95905	4.0
89.74129	0.9
109.42925	1.2
152.99551	3.7
167.10683	1.1
179.14362	1.6
181.12285	0.9
265.18179	2.1
301.25424	5.4
302.16516	1.2
308.19885	2.3
345.24402	72.3
363.25470	20.2
431.45346	1.2
461.29132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36935	1.5
79.34923	1.8
108.70694	1.7
145.10423	1.6
172.70364	2.2
179.14610	1.9
203.49561	1.7
219.17595	4.1
237.18631	2.1
245.19070	2.1
279.23331	13.5
301.25143	3.1
345.24377	71.2
347.25986	16.1
363.25479	25.5
399.29361	2.2
461.29221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.291
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.96026	0.9
57.61740	1.1
78.39999	1.0
78.95908	4.4
88.23849	1.2
90.16183	1.0
152.99594	13.0
153.12775	1.4
163.55089	1.1
172.95119	1.0
179.14418	1.3
181.12459	1.3
193.12373	1.7
219.17535	1.2
301.25363	4.1
327.23364	1.7
345.20123	2.4
345.24387	69.0
347.25931	2.0
363.25516	14.7
399.29294	1.3
406.64984	1.0
409.18845	1.1
417.29974	1.5
461.29202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78580	0.7
61.98833	3.0
66.79635	0.7
101.54646	0.8
149.88658	0.8
162.72850	0.7
165.12807	0.9
167.10745	1.8
179.14410	3.4
205.15999	1.6
211.13359	1.1
223.59006	0.7
279.23398	1.6
282.04544	0.9
301.25439	1.7
308.19983	2.0
315.22964	0.8
345.24405	59.9
347.25919	10.5
363.25430	15.8
397.54263	0.9
399.28769	1.5
417.30289	3.4
461.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
74.37770	0.7
82.64045	0.8
87.85550	0.8
147.01949	1.0
159.25160	0.8
214.08488	0.9
371.33121	4.3
373.34891	7.9
399.32602	14.5
417.33820	54.6
417.39432	2.0
425.27054	1.6
461.32803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3281
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
50.39986	1.2
54.31533	1.2
59.01362	1.1
68.18349	1.1
79.95748	1.7
95.04987	2.7
98.19228	1.3
109.06487	1.2
164.16472	1.5
179.03789	6.2
357.31503	8.2
371.33185	20.5
373.34802	56.0
417.28546	2.5
417.33789	63.1
461.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38777	1.3
55.35831	1.4
56.25370	1.4
63.27039	1.2
66.04420	1.1
74.27644	1.5
163.51462	1.3
201.09190	2.9
209.06198	1.8
212.08345	2.5
225.09140	6.9
226.10013	3.0
238.10060	3.0
239.10681	2.5
240.11598	2.7
252.11655	1.8
253.12303	2.0
254.13116	8.0
267.13736	2.1
268.14584	3.3
269.15521	2.6
281.15393	5.8
307.16846	1.8
308.17737	2.8
309.18756	2.5
322.19177	3.1
323.20148	3.1
324.20975	10.5
335.20157	2.6
337.21649	2.9
338.22586	2.3
349.21500	1.9
377.24838	5.8
392.27219	13.5
446.32013	3.2
461.34293	100.0
463.69025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26342	0.7
55.03047	0.9
57.08607	0.9
59.01382	100.0
62.36340	1.1
69.40703	0.9
70.17149	1.0
78.95937	1.7
81.51315	1.0
107.48703	1.0
113.52824	1.0
114.79066	1.1
139.79338	0.9
152.90353	1.1
152.99580	5.5
172.52550	0.9
175.56218	1.1
183.14990	0.9
230.05846	1.0
327.29132	2.4
336.17804	1.1
377.30087	1.2
461.26993	1.9
461.33481	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3644
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.50672	0.6
59.01371	1.1
60.99313	1.8
70.81525	0.7
79.06379	0.6
82.36922	0.7
82.73701	0.7
83.05027	2.9
107.05060	0.8
109.02957	1.6
109.06578	3.3
117.64465	0.8
152.91986	0.7
343.30209	6.2
345.31625	14.3
357.31976	0.9
371.33289	1.1
381.32156	0.8
384.15741	0.9
399.32050	1.7
399.36795	13.9
405.33752	0.9
425.34222	8.7
443.28964	1.4
443.35358	68.3
461.36594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3641
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
60.99305	0.4
74.78503	0.3
78.72697	0.3
345.31503	0.6
399.36429	4.2
408.76617	0.4
443.35318	4.9
461.36450	100.0
462.46310	0.4
486.00650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53111	3.1
57.23096	3.3
65.35886	3.9
76.14405	4.2
85.42151	3.8
112.71051	3.8
114.70868	4.2
197.19450	4.5
199.13345	5.3
279.23257	37.7
383.33157	5.7
397.34659	8.1
399.36292	62.4
417.37506	52.0
461.36600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08407	0.2
55.17293	0.3
59.01384	0.3
59.47102	0.3
61.19044	0.2
71.01398	0.2
73.02945	1.6
78.95874	0.3
97.73213	0.3
99.92579	3.8
116.92852	100.0
117.01921	3.8
117.05568	1.8
126.03103	0.3
205.19432	0.3
213.09410	0.3
263.11313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79504	0.6
54.13872	0.6
54.41026	0.6
54.84740	0.8
57.63864	0.8
59.01382	60.3
59.01686	1.9
65.88742	0.8
78.61841	0.9
111.00857	0.8
127.28844	0.8
130.87679	0.9
131.19411	0.7
145.02953	6.3
146.03316	0.9
156.04530	0.8
171.04633	1.4
186.06895	1.1
188.03520	1.6
201.09306	1.3
231.28751	0.8
254.30371	0.9
288.10461	1.1
298.08853	1.7
303.05362	5.1
314.08282	4.6
315.05527	1.0
315.08966	1.9
316.06274	1.4
316.09717	9.7
318.07855	1.3
326.08096	1.7
328.09778	2.8
329.06882	3.4
329.10577	1.0
330.11469	1.0
342.07663	0.9
343.08557	4.9
344.09299	41.7
344.12521	1.6
358.10870	3.8
359.11700	9.0
374.13940	4.3
418.13083	16.1
462.12000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89181	0.6
61.98849	0.9
68.86774	0.6
70.11294	0.6
70.18656	0.7
70.41310	0.8
94.09682	0.7
102.04661	0.8
113.99675	0.8
133.04060	0.7
141.30574	0.7
176.30923	0.9
284.11191	0.8
286.08765	1.7
288.10501	0.9
298.08710	1.2
299.09540	4.1
300.10532	1.0
301.11115	6.4
312.10324	1.0
314.08231	18.7
314.11658	1.2
315.09061	5.8
316.09875	11.3
316.13196	1.4
328.09949	2.7
329.10696	18.2
330.07886	1.2
330.11444	6.7
331.12155	2.8
342.07898	1.2
343.08636	7.6
344.09253	4.6
344.12979	18.0
345.13687	13.3
346.14560	1.0
358.07172	3.0
358.11264	5.2
359.11804	1.5
372.12680	0.9
373.09415	2.7
374.14026	100.0
388.11993	6.0
400.08423	0.8
418.13055	7.6
462.12180	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28861	0.4
61.21952	0.4
61.98835	100.0
85.34973	0.4
113.02441	8.9
141.05754	0.5
143.05545	0.5
149.71109	0.5
207.69485	0.5
249.49449	0.5
260.09348	3.5
264.42679	0.7
365.91440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82436	0.8
52.22403	1.2
58.09938	1.2
62.81929	1.1
68.93552	1.0
70.90871	1.2
78.14926	1.0
78.95876	1.5
152.99518	1.3
221.28044	1.2
237.26218	1.2
266.74979	1.1
317.14627	1.6
330.11249	5.1
340.09778	2.1
340.13474	2.4
341.10626	9.9
342.11508	7.8
344.08890	1.4
355.08350	1.5
356.13116	2.0
358.10928	2.2
370.10840	100.0
370.14444	4.7
384.12473	1.3
385.13284	22.9
388.15482	2.2
400.15570	83.3
416.14981	5.0
435.80469	1.4
462.15500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41756	8.5
59.01373	43.8
61.84035	8.4
71.01371	16.0
72.99308	18.6
89.02448	16.7
97.20618	11.7
101.02438	26.4
111.04516	55.1
111.05335	11.2
115.22093	11.0
121.13429	10.0
121.81860	10.3
125.06068	49.8
127.04013	95.1
128.04308	23.1
155.03520	46.6
156.03914	15.7
169.05029	65.0
199.02475	63.7
200.02754	14.2
247.39949	11.3
263.11282	100.0
415.16055	12.2
462.15891	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41756	8.5
59.01373	43.8
61.84035	8.4
71.01371	16.0
72.99308	18.6
89.02448	16.7
97.20618	11.7
101.02438	26.4
111.04516	55.1
111.05335	11.2
115.22093	11.0
121.13429	10.0
121.81860	10.3
125.06068	49.8
127.04013	95.1
128.04308	23.1
155.03520	46.6
156.03914	15.7
169.05029	65.0
199.02475	63.7
200.02754	14.2
247.39949	11.3
263.11282	100.0
415.16055	12.2
462.15891	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60300	13.0
66.43950	14.4
71.01374	100.0
71.56021	12.9
92.22578	23.3
97.63147	15.2
98.07130	13.4
107.57643	14.9
338.28741	16.1
339.89066	16.8
428.40668	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35342	16.0
59.01385	100.0
61.47049	16.2
71.01377	70.1
72.99314	38.2
85.02976	20.5
86.59438	17.7
89.02460	40.9
94.56535	15.4
97.34576	15.9
125.06050	18.8
169.05037	28.2
176.44611	15.9
180.98640	20.7
240.10345	22.6
263.11343	40.8
302.74219	21.5
350.23401	22.5
405.27362	21.2
462.20801	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	56.6
60.04049	19.5
66.28613	18.9
71.01379	100.0
74.09348	27.0
82.44870	22.9
89.20604	21.6
103.00057	22.4
109.68660	24.5
118.03540	23.2
126.99519	23.4
401.49063	29.2
453.77029	24.5
462.23743	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54507	0.6
55.68004	0.6
56.83480	0.6
76.69776	0.7
84.55152	0.8
105.67163	0.8
106.04236	3.6
107.05048	1.7
107.42999	0.7
133.01408	1.7
143.77118	0.7
167.55389	0.8
177.04283	10.5
178.05084	8.6
191.05870	1.2
192.06679	100.0
193.07454	0.9
224.24416	0.8
235.12376	0.7
300.12433	76.4
340.10312	6.4
358.00024	0.8
448.33530	0.9
462.17789	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58541	0.8
71.01371	1.3
98.22340	1.0
104.79524	0.8
106.04218	2.2
107.04987	1.6
121.02924	0.9
135.85397	0.9
166.05074	1.4
177.04282	9.2
178.05093	5.6
192.06686	100.0
194.08192	1.0
264.83539	0.9
300.12439	66.4
320.60913	0.9
340.10345	2.1
462.17746	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24632	1.3
61.98827	2.6
80.08224	1.3
86.02472	22.6
88.98822	1.7
96.00915	3.6
98.02468	15.8
98.20752	1.6
102.76819	1.4
109.01691	6.4
118.06656	2.9
129.10313	2.3
138.09297	1.8
143.05025	6.7
146.53384	1.6
147.04515	10.2
155.08249	7.7
164.07193	41.6
165.10355	4.0
166.08720	20.4
167.03990	1.7
183.11356	2.5
185.06186	1.9
199.06425	9.0
209.09329	2.2
210.07684	2.5
214.04950	1.9
224.94321	1.7
256.08438	2.3
259.14502	3.1
277.15454	1.5
295.14481	3.8
313.15588	12.2
357.14584	100.0
444.17880	39.0
462.13678	1.8
462.19028	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53810	0.8
60.89744	0.8
78.95901	1.0
84.93861	4.0
88.25036	0.9
99.92582	55.2
100.93363	14.8
104.35501	1.1
115.92062	26.3
116.92857	100.0
117.93618	1.1
125.92874	1.7
127.50430	1.1
140.96443	1.6
142.93213	1.3
152.99597	1.9
175.95392	1.0
217.22385	1.0
218.94043	1.0
222.75134	1.1
375.20367	1.1
444.18707	15.1
458.16345	4.2
462.19641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2658
Annotation	Cytochalasin T
Peak:m/z	Relative Intensity
51.06301	1.0
101.52493	1.1
108.22119	1.3
123.04537	8.8
128.93143	1.1
163.90819	1.2
212.10823	1.6
265.21741	6.2
332.94516	1.5
390.20807	17.9
444.25418	6.3
462.26593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.02288	0.8
92.22536	0.8
96.80372	0.9
97.27188	0.8
148.65605	1.0
197.14537	0.9
242.54649	0.8
255.16119	1.5
257.17581	1.8
279.23358	4.7
280.23672	17.3
375.69934	0.9
385.04602	0.8
416.28925	0.8
462.26831	6.5
481.85733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.02288	0.8
92.22536	0.8
96.80372	0.9
97.27188	0.8
148.65605	1.0
197.14537	0.9
242.54649	0.8
255.16119	1.5
257.17581	1.8
279.23358	4.7
280.23672	17.3
375.69934	0.9
385.04602	0.8
416.28925	0.8
462.26831	6.5
481.85733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64325	2.5
61.98832	100.0
62.76893	2.6
62.86374	2.6
67.07153	2.8
93.10593	2.6
100.03408	3.0
110.57545	2.9
143.53442	2.9
148.37427	2.7
161.67494	2.7
174.23563	2.6
176.35957	3.0
179.33884	3.0
358.26538	3.0
413.16107	3.4
451.36273	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
62.19345	0.7
71.01387	1.8
76.75862	0.8
84.04536	9.2
94.02992	4.0
97.01684	5.5
104.69465	0.8
107.88106	0.8
110.02509	6.1
112.04043	100.0
122.06124	4.3
124.04025	15.2
138.05484	1.0
140.07181	7.4
166.05106	36.3
184.06140	19.4
221.54974	1.0
324.93787	0.9
462.35989	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
71.01371	1.4
85.02931	0.6
89.02449	1.4
92.22538	0.8
99.00883	1.3
101.02432	1.2
113.02466	1.2
151.00360	7.4
157.08261	0.6
163.00322	0.8
178.99841	4.9
229.05011	0.8
243.02945	3.2
254.02289	1.0
255.03027	10.4
271.02524	24.1
272.03256	1.3
273.04007	0.9
300.02783	100.0
301.03555	25.6
331.17688	1.1
362.80075	0.7
427.99478	0.7
460.89441	0.7
463.08902	69.2
463.22021	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.6
90.90576	0.7
92.23065	0.7
100.52276	0.6
105.08140	0.9
113.64404	0.7
121.02963	0.9
151.00389	7.5
178.99852	5.0
183.31619	0.7
243.02979	0.8
254.02121	1.2
255.03011	13.2
271.02502	26.2
283.02420	1.4
300.02783	100.0
301.03574	22.4
332.77539	0.8
404.03476	0.8
463.08926	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35939	0.6
54.52402	0.7
59.01385	44.7
64.35378	0.9
64.69090	0.7
66.98396	0.9
71.98520	0.6
103.00372	100.0
104.08853	0.8
112.76716	0.8
122.38803	0.8
137.96927	0.9
179.03505	1.0
187.44566	0.8
197.04561	4.9
251.33290	1.0
251.77924	0.9
359.09805	5.0
370.13193	1.0
485.18491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25534	0.7
59.01384	40.9
59.01685	1.3
87.59354	0.8
103.00374	100.0
110.03001	1.0
116.60870	0.9
142.88287	0.9
152.03757	1.1
167.57993	0.9
179.03506	1.5
197.04568	4.3
265.58466	0.9
298.96191	0.9
299.72836	1.2
306.15857	1.0
359.09875	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83244	0.9
57.56279	0.7
58.65434	1.0
59.01378	4.6
60.99311	11.4
71.25063	0.8
88.98798	100.0
89.02444	16.5
89.77510	0.8
113.02446	4.0
118.26814	0.9
149.57419	1.1
154.59616	0.9
355.43484	1.2
364.20776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1253
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
59.01373	5.7
59.66002	0.9
64.26501	0.8
71.01379	4.9
72.99302	81.4
74.58242	1.0
89.02426	4.1
92.22508	1.2
99.00889	3.6
101.02422	1.9
109.02896	1.0
113.02419	1.6
121.02966	3.8
123.04514	22.7
123.06319	0.9
135.03502	1.3
135.04526	35.9
164.04800	2.0
179.03511	68.8
197.04562	100.0
243.79036	1.0
284.99677	1.1
365.17880	1.6
394.34784	1.1
403.20264	1.3
463.12476	63.0
463.21536	3.4
463.26523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29143	1.2
56.42311	1.1
59.01380	20.5
65.94600	1.1
71.01381	15.7
72.10854	1.1
72.99303	38.5
73.02941	6.5
75.00883	1.4
79.95699	1.2
85.02951	6.8
87.00871	8.3
89.02441	13.0
99.00865	2.8
100.43555	1.2
101.02442	17.1
111.04491	1.6
113.02446	7.6
119.03503	2.3
121.02963	2.4
123.04479	9.5
135.04530	13.4
149.02438	11.6
151.03961	1.6
152.01172	2.1
157.14359	1.2
161.04442	1.8
164.04793	33.9
169.05168	1.7
179.03514	37.0
179.07137	6.9
191.01741	1.4
193.01424	1.7
197.04575	37.8
207.03094	1.3
208.03751	16.0
222.05359	2.5
223.06168	29.5
237.07750	1.4
301.20157	12.8
330.11111	9.3
331.17670	2.0
332.11383	1.3
345.13382	11.4
463.11636	42.9
463.26007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1256
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
55.17998	1.2
59.01384	47.7
63.61771	1.1
65.18105	1.1
71.01379	18.9
73.02943	6.9
76.57420	1.1
85.02923	9.0
89.02431	13.3
89.32600	1.0
93.03435	5.1
97.02966	2.3
98.19750	1.3
99.00882	6.6
101.02433	19.0
111.56511	1.5
113.02439	8.5
117.03455	78.7
124.01657	30.3
125.02424	2.8
139.04010	100.0
142.28633	1.3
143.03522	2.1
148.01665	8.3
159.02992	2.5
161.02458	20.6
161.04501	10.4
165.01958	5.6
172.06021	1.3
178.18132	1.4
181.05090	20.4
184.58325	1.4
192.00653	2.3
207.02991	16.9
233.06706	2.9
249.52104	1.5
268.03815	12.2
283.06174	26.3
301.07230	25.5
318.60361	1.4
320.64609	1.5
432.18146	1.5
463.12524	48.0
463.21933	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.6
60.06291	0.4
71.01375	2.7
73.02937	0.6
74.73989	0.5
75.00867	100.0
78.00256	0.4
78.79629	0.4
85.02950	1.8
89.02414	3.3
99.00859	1.1
101.02444	3.1
113.02459	1.9
125.94398	0.5
127.24796	0.5
133.95467	0.4
136.93513	0.4
145.74315	0.5
161.04565	0.6
178.59210	0.4
200.57637	0.5
241.14503	0.5
263.11237	0.6
296.90756	0.5
313.42770	0.6
321.11804	1.0
331.17862	0.5
331.66550	0.4
395.77655	0.4
451.95163	0.6
463.15277	0.8
463.21780	6.1
472.02930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1465
Annotation	Canthoside B
Peak:m/z	Relative Intensity
59.01379	42.4
67.48964	1.8
71.01376	48.9
73.02939	13.4
76.35934	2.1
78.95901	5.2
85.02954	5.1
87.00874	4.5
88.32590	2.0
88.61945	1.9
89.02441	82.8
91.51679	2.1
95.01377	2.9
96.96984	17.8
97.02938	2.4
99.00877	93.3
101.02444	23.9
109.02972	3.1
113.02441	50.8
114.25208	2.3
119.03469	3.4
123.04485	10.9
125.02403	8.8
131.03503	17.8
133.01465	2.9
149.04549	30.3
150.03223	97.3
151.03995	75.2
154.53116	3.1
155.46030	2.3
161.04550	11.3
181.05077	5.3
191.05650	31.7
205.05078	3.0
233.06752	11.4
265.09348	2.4
293.08737	14.3
308.06781	2.4
311.09940	8.6
323.09958	8.7
347.05008	2.7
353.11069	3.9
445.13647	100.0
463.07996	3.2
463.14664	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
59.34193	0.8
63.75130	0.9
69.54546	0.8
77.79127	0.9
78.95885	1.8
83.08352	1.0
98.00768	1.0
99.29774	1.1
119.33244	1.0
121.02917	1.2
128.79292	1.0
135.04524	2.1
135.05647	0.9
149.02441	42.9
152.01144	5.7
152.99594	6.7
163.04037	4.7
164.04800	100.0
165.01901	5.9
165.03166	1.2
165.12708	1.4
167.03461	1.5
169.05040	2.2
179.07129	34.9
180.04330	1.5
193.01451	11.4
207.03067	2.2
208.03786	65.6
222.05391	8.6
223.06137	94.1
226.90504	1.0
237.07675	4.5
287.31091	1.1
463.16290	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.162
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
53.27697	0.6
54.86382	0.6
56.49255	0.5
59.01368	0.9
78.95904	1.7
89.02428	1.0
90.10040	0.7
108.65858	0.8
113.02428	0.7
120.78626	0.8
121.02913	1.0
129.23096	0.8
130.47951	0.8
134.03725	1.4
149.02440	33.8
162.03104	1.0
163.04018	2.8
164.04802	100.0
165.01932	1.0
166.02704	2.8
177.05505	1.4
179.07149	32.5
180.04239	1.2
183.06540	1.1
187.65437	0.8
195.06609	3.1
222.05319	3.4
225.07703	4.5
237.07680	5.4
261.38412	0.8
301.20273	3.4
463.16132	44.7
463.25827	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1618
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
51.92590	0.4
59.01381	0.6
61.98825	0.5
66.88659	0.5
69.94118	0.4
77.85193	0.5
78.95904	3.1
86.33158	0.4
88.16623	0.5
96.96000	0.8
102.49011	0.4
121.02908	1.1
134.03755	1.9
135.04471	0.5
149.01233	1.1
149.02440	32.0
149.06152	0.8
152.99582	5.8
162.03250	0.8
163.04012	2.8
164.04797	100.0
165.02020	2.0
166.02661	1.2
177.05582	3.5
179.07144	32.0
180.04277	1.7
181.05072	0.5
183.06621	1.9
195.06630	2.3
198.93547	0.4
199.13390	0.7
205.08752	0.5
207.03027	1.8
208.03752	0.7
222.05365	6.8
223.06198	5.8
225.07628	4.7
229.86975	0.5
237.07664	9.1
311.67673	0.5
419.17047	1.2
463.16055	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86809	0.6
58.00594	1.9
58.04914	0.7
59.01384	5.7
64.67950	0.8
68.94058	0.7
72.00906	1.6
73.02952	3.8
74.02475	3.8
75.00863	5.3
89.02449	1.2
93.82758	0.9
101.02440	15.3
107.35999	0.9
111.04510	1.3
116.05051	17.7
123.01951	0.8
127.03967	2.0
142.06615	3.8
146.06081	1.7
148.07693	1.0
155.03506	1.2
159.09258	8.2
161.04471	0.8
169.05051	1.1
183.09290	3.2
186.05502	1.4
199.02484	1.1
199.06300	1.0
203.08281	100.0
204.06665	4.3
205.07487	4.4
217.07373	1.8
237.06313	1.3
245.09230	1.0
271.02402	1.1
271.14600	4.9
275.10403	13.7
299.14050	1.5
300.02759	4.1
301.03677	1.6
329.15170	8.4
343.13040	1.8
355.13162	1.4
371.31177	0.8
373.14026	13.0
427.14786	1.3
463.09293	2.3
463.17493	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86809	0.6
58.00594	1.9
58.04914	0.7
59.01384	5.7
64.67950	0.8
68.94058	0.7
72.00906	1.6
73.02952	3.8
74.02475	3.8
75.00863	5.3
89.02449	1.2
93.82758	0.9
101.02440	15.3
107.35999	0.9
111.04510	1.3
116.05051	17.7
123.01951	0.8
127.03967	2.0
142.06615	3.8
146.06081	1.7
148.07693	1.0
155.03506	1.2
159.09258	8.2
161.04471	0.8
169.05051	1.1
183.09290	3.2
186.05502	1.4
199.02484	1.1
199.06300	1.0
203.08281	100.0
204.06665	4.3
205.07487	4.4
217.07373	1.8
237.06313	1.3
245.09230	1.0
271.02402	1.1
271.14600	4.9
275.10403	13.7
299.14050	1.5
300.02759	4.1
301.03677	1.6
329.15170	8.4
343.13040	1.8
355.13162	1.4
371.31177	0.8
373.14026	13.0
427.14786	1.3
463.09293	2.3
463.17493	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86215	0.8
57.07808	0.7
59.01382	13.8
60.50406	0.7
71.01377	7.1
71.73241	0.9
72.99310	1.3
73.02953	4.1
83.01379	1.9
85.02952	10.1
89.02457	4.1
91.16808	0.9
92.22572	1.4
92.65189	0.8
99.00900	0.9
101.02451	13.2
103.95532	0.9
113.02444	3.5
119.03414	0.9
125.74094	0.8
138.93819	0.8
141.89771	0.9
151.69048	0.8
167.73637	0.9
171.19904	1.0
208.03879	0.9
223.06184	0.9
237.18419	1.2
301.20319	7.9
445.24622	7.1
463.17480	20.8
463.25485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.175
Annotation	Lespedezol A5
Peak:m/z	Relative Intensity
54.41837	1.8
56.35262	1.8
59.01386	16.7
66.79717	1.9
71.01371	12.4
72.99299	9.9
73.02955	2.7
83.01340	2.3
85.02952	9.5
89.02433	9.6
101.02447	15.1
113.02428	9.9
115.07648	2.1
128.58363	1.9
164.04794	3.2
170.07986	2.2
179.03500	12.8
197.04530	14.2
223.06114	4.0
283.19321	3.7
301.20267	18.7
343.03912	2.4
417.21469	4.4
445.24652	2.7
463.12286	4.9
463.17453	62.8
463.25516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00927	0.5
53.72278	0.6
59.01384	100.0
71.01400	0.8
97.02946	19.4
101.83685	0.7
157.04977	0.8
243.66611	0.8
283.20584	0.7
305.12338	0.7
343.13986	4.9
403.16083	1.2
488.98355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28444	0.7
52.88131	0.7
53.80495	0.8
56.72578	0.9
58.75411	0.8
59.01381	100.0
59.12068	0.8
59.72881	1.0
65.89622	1.0
71.01005	0.9
71.01378	4.0
88.02574	1.1
89.02423	1.9
97.02940	42.2
97.83480	1.0
101.02458	4.1
113.02435	1.1
123.70978	1.2
128.01088	1.1
133.34079	1.0
151.45979	1.0
154.78716	1.1
170.99861	1.1
208.05276	1.0
216.67111	1.1
301.20126	4.5
302.13794	1.4
305.12466	1.9
340.43250	1.1
341.86938	1.4
343.14032	14.8
373.13095	1.6
403.16345	2.0
463.19711	7.6
463.25555	30.5
480.46558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14457	0.7
55.78331	0.9
58.75471	0.8
59.01384	100.0
60.17422	0.8
68.25690	0.9
71.01382	2.3
73.02975	1.0
78.91354	1.0
85.02952	1.9
89.02464	7.2
101.02460	4.4
101.11971	0.9
108.28282	0.8
113.02463	1.3
137.02451	2.3
161.04538	6.6
203.32913	1.1
250.45035	1.0
305.12427	2.3
306.83063	1.0
456.72415	1.0
463.22034	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89140	0.4
58.50569	0.4
59.01381	100.0
59.35764	0.4
69.03444	0.6
71.01380	5.3
73.02946	1.2
83.01392	0.5
85.02943	0.9
89.02440	5.9
95.01427	0.6
99.00874	1.0
101.02432	3.9
109.60476	0.5
113.02451	3.1
124.11062	0.5
131.03479	0.7
159.02924	0.6
161.04538	8.6
207.68079	0.6
300.02969	0.7
305.12521	4.4
325.22470	0.7
329.14890	1.2
463.08804	0.7
463.21954	4.0
489.81906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1983
Annotation	Maoesin C
Peak:m/z	Relative Intensity
51.77013	1.3
55.65987	1.2
57.35227	1.2
59.01385	100.0
59.50831	1.2
71.01380	6.9
78.63097	1.4
89.02426	6.7
97.02946	27.3
101.02438	7.0
113.02460	3.1
115.07644	1.8
125.02462	1.5
137.02463	6.3
139.04028	1.8
151.04024	2.3
163.03938	1.6
177.05595	1.6
207.06592	5.6
222.09023	2.5
301.20291	17.7
343.13928	8.7
373.12967	15.0
388.14920	4.3
403.17651	12.4
433.15070	3.3
448.17487	2.7
463.19766	42.2
463.25620	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01177	0.9
68.71317	1.0
78.95898	49.2
78.96362	1.7
96.96963	6.2
142.73251	1.2
152.99585	100.0
171.00652	2.6
233.04509	1.1
258.41498	1.1
264.91251	1.2
463.21060	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2111
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
59.01369	0.7
78.95900	33.5
96.96944	6.5
103.07413	0.6
104.15022	0.6
110.52358	0.6
114.79695	0.7
132.18306	0.7
133.35712	0.6
149.11702	0.7
152.99583	100.0
171.00606	3.0
324.62375	0.8
348.39676	0.8
352.40399	0.7
395.00912	0.7
426.26816	0.8
463.21088	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00271	0.4
55.15434	0.5
55.85517	0.5
61.98822	0.9
62.00260	0.5
73.23472	0.5
78.95904	29.5
78.96375	1.2
88.31606	0.5
89.04412	0.5
96.96954	5.3
109.89249	0.5
138.60150	0.6
150.98027	1.0
152.99585	100.0
169.35516	0.5
171.00667	3.2
202.02922	0.6
282.34387	0.7
332.88522	0.6
349.68225	0.6
463.21094	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13947	0.7
59.01382	50.9
70.64591	0.7
71.01376	15.0
73.02960	3.4
80.39224	0.8
82.50146	0.9
83.01365	1.4
85.02956	1.7
87.00861	11.0
89.02435	18.5
94.49223	1.0
99.00878	1.1
101.02438	14.7
113.02433	9.6
115.00345	1.3
119.03488	7.3
150.15324	0.9
153.09238	1.6
161.04616	1.4
167.10751	2.0
193.12318	1.7
223.13470	0.9
241.14482	38.3
358.21393	0.9
375.19528	1.0
403.19785	100.0
421.53201	0.9
449.43781	0.9
463.21982	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01859	0.7
55.74505	0.6
59.01382	11.2
71.01008	1.6
71.01376	32.2
73.02939	15.1
75.00884	1.4
78.79282	0.9
80.04442	1.0
83.01375	3.5
85.02941	14.6
87.00850	1.1
89.02428	5.4
95.01437	1.0
97.02934	0.8
99.00876	6.1
101.02430	27.9
111.99866	0.8
113.02441	17.1
115.04019	0.9
122.47523	0.8
125.02423	1.6
143.03535	1.9
159.02988	4.7
161.04539	23.1
174.12755	1.1
178.29272	0.9
187.26552	0.8
229.39134	0.8
241.19612	1.0
331.17648	12.5
337.66998	1.0
403.19916	0.9
463.21896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65740	0.8
51.83101	0.8
59.01379	68.6
61.93101	1.0
68.81369	1.0
71.01375	53.7
72.99287	1.8
73.02949	12.2
73.75695	0.9
80.83421	1.0
83.01411	1.8
85.02936	9.4
89.02438	100.0
97.44563	1.1
99.00890	1.3
101.02438	35.9
102.51200	1.0
113.02446	12.7
117.43655	1.2
119.03455	8.2
131.03485	22.7
141.15079	1.1
143.03494	1.3
148.84251	1.1
149.04549	51.0
157.77084	1.2
174.82253	1.2
179.05653	5.1
180.62975	1.1
191.05659	12.6
193.05360	1.1
197.98680	1.2
241.28712	1.3
311.10144	1.3
331.17679	4.3
428.15515	1.4
463.22192	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.4
71.01373	43.8
73.02943	11.1
73.73176	1.4
75.00861	6.6
83.01385	3.7
85.02941	16.6
87.04475	2.0
89.02437	41.8
91.43637	1.6
93.65617	1.5
94.86407	1.5
95.01376	1.9
99.00902	3.7
101.02434	42.9
101.90208	1.5
102.64256	1.7
113.02456	28.5
119.03501	14.6
131.11147	1.6
151.75903	1.4
161.04587	11.4
162.84099	1.6
179.05611	19.0
183.95052	1.9
241.14516	2.1
331.17618	9.6
403.19742	100.0
463.21881	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01103	2.9
59.01382	57.0
67.88981	1.3
71.01379	74.9
72.99243	1.3
73.02948	21.7
83.01383	10.0
85.02946	27.1
89.02441	47.1
95.01430	2.0
97.02979	2.6
99.00894	14.5
101.02446	58.9
113.02432	33.5
115.16189	1.6
119.03499	9.5
125.02415	2.1
131.03471	5.6
133.65274	1.4
143.03497	1.5
149.04556	7.2
159.02972	2.8
161.04561	17.9
163.20110	1.6
167.03484	3.3
191.05653	3.3
194.73299	1.6
255.67122	1.9
263.18829	1.7
284.96347	1.5
331.17673	68.7
463.12210	3.3
463.21909	100.0
467.03546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86758	0.5
54.09922	0.5
55.01891	0.6
57.45032	0.5
59.01382	17.8
71.01379	32.1
72.99308	1.2
73.02942	13.4
83.01374	4.2
85.02948	13.7
85.06590	0.9
87.00889	0.9
89.02435	11.3
95.01389	1.1
97.02941	1.3
99.00880	7.9
100.85872	0.6
101.01775	1.2
101.02442	31.7
113.02451	17.8
125.02454	1.2
131.03461	0.6
131.07123	14.2
143.03474	1.3
144.60287	0.5
159.02995	4.6
161.04565	17.4
163.07625	0.6
191.05658	0.8
212.41377	0.6
218.88445	0.6
244.94901	0.6
287.91824	0.7
305.12485	1.0
331.17633	10.4
463.21979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59420	2.0
57.05767	2.1
59.01385	100.0
67.27979	2.4
71.01385	51.6
71.43407	2.7
73.02939	19.1
78.12148	2.5
83.01382	4.1
83.05000	2.8
85.02950	29.4
87.00882	4.3
89.02433	37.6
95.01384	4.8
97.02931	6.4
99.00884	16.2
99.89491	2.4
101.02441	54.8
113.02460	42.0
118.09781	2.4
119.03497	11.9
125.02499	4.1
139.91904	2.7
149.02399	3.1
161.04544	11.2
164.04836	12.5
174.84131	2.6
179.72531	2.6
183.13776	3.3
227.08421	3.0
259.19058	4.9
264.04440	2.5
289.16656	12.8
301.20309	19.9
385.85910	3.3
403.19595	89.1
403.24008	4.9
417.24881	32.3
421.20660	90.6
463.26144	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01873	0.6
59.01383	11.2
71.01376	24.2
73.02940	11.7
76.83016	0.5
83.01386	3.0
85.02942	11.4
89.02433	7.8
95.01378	1.1
97.02930	0.9
99.00866	6.2
101.02434	29.7
113.02442	16.6
125.02432	0.8
127.68832	0.6
143.03485	1.2
145.06303	0.5
159.03014	3.6
161.03215	0.7
161.04529	16.1
177.04294	0.6
193.06961	0.7
222.99847	0.6
230.63503	0.6
279.33591	0.6
288.82013	0.7
301.12924	0.6
331.17477	7.9
343.43808	0.7
358.07339	0.6
463.22000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50458	0.6
59.01385	100.0
61.70568	0.7
61.98883	0.9
62.02017	0.7
65.26044	0.7
66.20676	0.8
71.01384	21.8
72.99313	3.5
73.02943	5.0
73.64519	0.8
81.17243	0.8
83.01403	1.6
83.05024	0.8
85.02955	7.1
87.00858	1.7
89.01892	1.1
89.02438	23.4
97.02947	22.1
99.00868	11.1
101.02441	26.6
102.29961	0.9
111.08313	0.9
113.02432	15.4
118.58781	1.0
119.03490	7.1
119.41112	1.0
131.03517	1.8
131.04596	1.1
143.03471	1.3
149.02435	0.9
149.04512	1.2
159.02945	1.3
161.04568	6.6
179.05630	1.1
191.05621	1.9
283.19055	1.4
301.20297	5.8
331.17841	7.1
343.14053	6.7
365.18106	1.7
403.20023	1.8
463.21606	47.9
463.25940	43.9
470.54401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31034	1.8
57.03450	2.9
59.01381	100.0
59.51007	1.5
61.02283	1.4
63.25129	1.3
66.05746	1.3
66.97206	1.3
71.01374	25.4
73.02931	3.4
77.13068	1.4
85.02953	2.9
87.00831	2.5
89.02432	34.7
101.02431	25.6
113.02450	17.1
117.33669	1.7
119.03495	8.7
120.99628	1.5
131.03445	1.9
161.04572	6.7
165.09198	3.1
168.31642	1.7
179.05641	20.5
179.07111	2.5
258.30173	1.7
291.84033	2.0
335.71283	1.6
403.19742	11.8
463.22498	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.45031	0.9
51.64466	1.0
54.33607	1.1
59.01380	51.7
71.01380	21.1
72.99296	1.2
73.02946	16.0
76.93392	1.0
78.95895	2.6
83.01379	1.7
85.02956	9.4
85.03364	1.1
89.02425	12.2
99.00871	7.8
101.02426	28.8
111.33970	1.1
113.02443	15.3
113.05166	1.1
113.74887	1.1
117.88336	1.3
119.03456	2.6
125.02462	1.9
149.94945	1.1
152.53642	1.2
159.02937	4.6
161.04546	10.5
171.32584	1.3
183.13821	1.5
271.15671	1.4
289.16608	13.4
300.02969	1.5
328.52722	1.1
344.81122	1.5
421.20959	16.7
436.04639	1.1
437.92001	1.3
463.21820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.9
55.27686	0.6
59.01382	17.2
71.01382	28.2
71.01778	1.3
73.02940	14.1
81.03424	0.8
83.01379	3.1
84.49017	0.7
85.02927	10.2
86.19071	0.7
87.00852	0.8
89.02438	6.8
95.01370	1.0
96.96951	1.6
97.02937	1.3
99.00879	6.2
101.02444	31.6
103.00374	9.0
113.02438	18.5
115.03940	0.7
125.02458	4.3
131.03494	1.0
139.07614	0.7
143.03514	1.4
159.02992	3.4
161.04544	19.0
207.81609	0.7
221.06622	0.7
230.98796	0.7
233.06688	0.9
324.27798	0.8
331.17697	10.3
463.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01385	11.8
62.35469	0.5
62.88738	0.5
71.01376	7.7
72.99304	1.0
73.02943	4.1
83.01389	2.5
85.02946	9.6
87.00858	2.6
89.02443	4.2
98.01332	0.6
99.00861	0.8
101.02435	13.3
102.65379	0.6
111.00877	1.0
113.02470	4.7
136.74675	0.6
158.51234	0.6
159.28665	0.7
161.04628	1.0
169.06564	0.8
182.92024	0.6
192.79709	0.6
227.01807	0.7
255.19577	0.7
265.17990	1.3
283.19147	3.4
285.20746	0.7
301.20349	4.3
303.63419	0.7
312.55148	0.7
445.24661	6.2
463.25607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45494	2.4
57.03471	2.8
57.33568	2.2
59.01381	76.8
62.19155	2.5
62.72119	2.5
69.03442	3.4
71.01372	42.9
73.02941	15.9
78.95913	6.2
82.27637	2.4
83.01426	3.8
85.02943	24.2
87.00890	5.9
89.02446	19.4
96.20555	3.1
97.02965	3.7
98.35719	2.9
99.00886	4.5
99.18662	2.8
101.02449	37.8
113.02419	30.2
119.03490	4.9
125.02471	3.6
135.04465	4.3
146.70343	2.7
149.02348	5.7
154.66286	2.9
161.02483	3.7
161.04521	6.0
164.04828	14.1
183.13861	5.5
191.05635	3.5
227.15155	2.7
259.19083	4.4
271.02560	4.1
289.16708	5.1
300.02777	10.3
301.20398	20.5
403.19406	37.7
403.24060	3.3
417.25012	46.0
421.19861	31.6
421.25003	15.5
463.09189	3.6
463.15793	5.8
463.26074	100.0
463.32358	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86905	0.7
59.01384	48.5
66.85334	0.8
71.01379	6.5
71.31181	0.6
73.02951	2.8
78.95901	6.6
84.38886	0.7
85.02967	3.8
89.02444	1.6
99.00877	0.8
101.02412	8.0
107.49026	0.7
107.84040	0.7
111.04617	0.6
113.02446	3.9
152.99580	12.0
161.04524	1.1
179.14346	1.0
193.85210	0.7
196.64836	0.8
197.15471	0.8
213.29219	0.7
221.19153	4.0
265.18127	4.6
278.44095	0.8
283.19223	6.6
301.20352	5.5
325.59866	1.0
361.22641	0.9
365.08752	0.9
421.24734	0.8
445.24274	1.0
463.25702	100.0
475.47101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60108	0.3
59.01369	0.6
63.20943	0.3
74.51394	0.3
78.95903	0.7
96.96000	0.5
120.38293	0.3
152.99615	2.3
277.21750	100.0
282.44940	0.3
338.08881	0.4
376.39594	0.4
378.16183	0.3
461.54663	0.3
463.27695	2.3
463.34460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2838
Annotation	Perovskone B
Peak:m/z	Relative Intensity
62.54805	0.7
68.23799	0.6
78.95901	8.1
92.22546	0.7
101.14682	0.8
109.14260	0.6
121.12426	0.7
125.00072	4.3
152.99562	6.6
159.77698	0.7
168.99368	0.7
169.99173	0.8
179.53735	0.8
181.02768	8.1
281.24887	100.0
404.62961	0.9
460.14426	0.8
463.28348	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2838
Annotation	Perovskone B
Peak:m/z	Relative Intensity
52.23563	1.3
61.98842	2.4
62.00455	1.4
62.41288	1.5
69.97013	1.4
78.95907	45.0
90.89973	1.5
93.25222	1.7
96.97005	2.6
118.39171	1.5
136.54219	1.4
148.24721	1.7
152.99580	100.0
205.31026	1.7
281.24850	3.5
309.28156	1.8
362.39038	1.6
401.30630	1.6
410.89197	1.8
463.28384	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	49.7
59.01685	1.6
78.95917	15.3
80.52236	0.9
91.03997	10.6
99.08141	1.8
115.26778	0.9
117.25607	1.0
123.54378	1.0
127.11243	1.1
132.42877	0.9
139.11295	7.8
152.99588	30.8
170.67909	1.0
171.00620	2.2
171.10266	24.3
211.13437	15.0
229.14517	9.2
242.24141	1.0
275.72089	0.9
293.21097	1.7
311.22290	12.8
329.23383	100.0
403.27060	8.9
423.06561	1.0
463.21112	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2971
Annotation	112648-68-7
Peak:m/z	Relative Intensity
55.73165	0.7
58.02966	1.7
65.84574	0.8
72.00896	1.3
74.02467	40.5
78.95903	5.9
93.18069	0.9
116.05054	22.6
116.34283	1.1
130.06601	1.5
142.06567	4.1
152.99586	18.6
159.09293	6.2
173.97388	0.9
184.07202	0.8
203.08286	38.0
229.01459	1.1
316.22748	6.6
334.23941	6.1
418.12381	0.9
419.30704	1.2
435.32315	0.8
435.38599	1.0
463.29706	100.0
480.80823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3073
Annotation	Ponasterone A
Peak:m/z	Relative Intensity
53.21223	0.8
59.01382	1.4
65.93029	1.0
72.77531	1.0
82.87672	1.0
91.25462	1.0
96.04552	5.3
97.02941	47.7
99.92590	1.2
100.92571	1.3
115.04011	11.0
116.92864	4.6
117.92812	2.1
140.03604	1.3
183.13841	1.5
199.13412	14.3
233.93222	1.1
275.20209	1.9
281.24844	2.6
281.98358	1.1
293.21262	6.3
343.46069	1.2
347.26019	4.2
349.27615	4.4
365.26971	33.0
420.27670	5.2
463.20840	9.6
463.30753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.78557	1.0
78.95923	1.0
80.77982	1.0
84.21352	1.0
84.52486	1.2
84.68890	1.0
138.08005	1.1
152.99628	2.1
157.13434	2.2
161.56464	1.3
178.72101	1.3
280.09546	1.2
463.35410	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.307
Annotation	3-Epiecdysone
Peak:m/z	Relative Intensity
52.43857	2.9
53.31218	2.8
61.98819	15.0
74.91908	3.2
76.45871	2.9
78.95900	5.7
114.16415	3.3
125.09663	4.6
152.99582	23.0
185.11761	5.5
293.21417	4.4
295.19193	4.5
302.15952	3.4
316.66180	4.1
445.29584	20.4
463.24829	9.4
463.30823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3074
Annotation	Ponasterone A
Peak:m/z	Relative Intensity
57.03440	1.0
62.04881	0.7
65.71992	0.8
69.87476	0.6
71.62525	0.6
74.56487	0.6
78.95936	1.6
80.65324	0.6
92.82910	0.7
97.06588	7.3
123.08212	3.4
125.09713	100.0
143.10806	1.1
153.68669	0.6
169.08804	4.2
171.10291	0.8
172.88486	0.6
181.02789	1.1
183.13910	1.1
187.09767	75.9
275.20328	1.4
281.24878	25.7
293.21463	2.9
463.30890	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3073
Annotation	Ponasterone A
Peak:m/z	Relative Intensity
56.03223	0.6
57.03437	0.6
64.65573	0.6
64.77728	0.8
79.94788	0.8
87.99683	0.7
97.06609	6.9
103.49033	0.7
123.08163	1.8
125.09715	100.0
128.82748	0.7
169.08699	3.7
187.09764	51.6
207.51050	0.9
219.96068	0.8
275.20212	1.1
293.21362	6.9
384.45422	0.9
390.43964	0.8
463.30750	72.0
473.09653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52148	2.0
60.32687	2.1
61.46110	2.4
74.05275	2.2
85.06595	3.7
85.74904	2.7
97.02944	43.8
109.68541	2.5
115.03978	11.5
147.42792	3.0
147.78786	2.6
171.10275	4.2
279.19635	16.5
293.21436	4.9
347.26050	3.2
365.27042	34.2
407.89114	2.7
463.30728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3436
Annotation	7-Oxatyphasterol
Peak:m/z	Relative Intensity
54.03549	0.6
59.01382	15.8
62.04202	0.7
68.16721	0.8
78.95898	1.0
97.06570	1.1
115.98837	0.9
152.99559	1.5
157.54483	0.8
158.68381	0.8
182.33241	0.8
277.21310	1.0
303.33728	0.8
357.32166	0.8
359.33279	3.9
383.33423	1.1
401.29269	1.7
401.34299	33.3
403.32190	24.6
415.86575	0.9
419.35416	8.2
445.33020	5.7
463.34396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71416	2.3
59.01378	4.0
64.43299	2.7
66.21844	2.5
69.54135	2.3
100.95503	2.4
110.39024	2.4
123.04517	12.4
136.05292	21.8
149.24687	2.6
234.06041	2.5
404.12408	3.2
419.35388	100.0
463.33954	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29512	0.6
59.01381	1.3
64.56728	0.8
80.05080	0.6
81.52029	0.7
123.04524	9.5
123.15258	0.7
135.04515	1.2
135.08159	1.8
136.05295	18.5
143.86389	0.7
151.07611	3.1
177.09160	1.4
181.36754	0.6
195.10220	1.1
206.34946	0.7
210.21393	0.8
318.75934	0.9
419.35379	100.0
421.36810	4.6
463.37830	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3438
Annotation	Castasterone
Peak:m/z	Relative Intensity
59.01386	18.6
83.59329	1.4
86.86564	1.1
90.07041	1.1
107.05010	11.3
141.09154	2.0
152.99507	1.9
239.64354	1.3
291.27051	2.0
359.33145	2.9
383.33298	2.8
399.32803	11.8
401.34210	20.2
403.32278	17.4
419.35333	1.5
451.68549	1.5
463.34418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88801	0.6
58.16725	0.7
59.01374	3.1
60.54146	0.7
70.52354	0.8
72.13666	0.8
78.95884	1.7
82.06619	3.0
83.80085	0.7
88.04031	84.8
105.57822	0.9
129.10326	0.9
130.08748	3.9
140.10806	1.6
147.60555	0.9
152.99565	3.6
157.13455	50.0
191.88922	0.8
201.12462	10.6
202.52206	0.8
272.39505	0.8
297.71445	0.9
374.30814	7.6
419.36395	1.0
463.35486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66494	0.6
54.14013	0.8
59.01385	1.0
61.98809	1.5
71.01385	1.8
72.40202	0.7
73.05254	0.8
85.98064	0.8
95.45371	0.8
115.03983	3.5
120.62787	0.9
172.96385	1.0
185.95999	98.0
186.96770	1.6
188.03531	1.2
201.95511	2.0
202.96283	42.2
203.97061	76.8
339.77271	0.9
348.01288	3.5
464.06030	100.0
464.17120	4.2
464.25598	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22610	2.0
52.57608	2.0
60.77407	2.1
61.06240	2.7
65.75199	2.0
69.65085	2.2
71.01381	66.3
114.99605	4.9
115.00372	100.0
115.04014	11.0
130.08675	2.6
156.04558	3.8
173.02475	3.1
186.05655	4.0
188.03441	17.4
188.05017	2.7
260.12979	2.5
328.06204	2.9
345.06412	5.5
346.07159	4.2
360.08942	10.2
376.12048	32.8
390.24796	3.1
420.11084	10.6
464.09726	25.0
485.35358	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35091	2.2
71.01378	71.9
115.00373	100.0
156.04564	9.1
158.06129	3.7
173.02434	22.8
186.05602	19.4
188.04778	22.5
203.07176	12.4
298.05264	3.9
299.05865	2.4
300.06714	13.4
302.07510	2.5
315.08762	2.9
316.06290	7.3
317.07117	4.0
318.07767	11.4
327.05527	3.8
328.06180	13.1
328.09738	2.7
342.07770	4.4
345.06546	21.9
346.07227	23.1
346.10931	3.3
360.08865	14.5
361.09512	3.5
376.11914	70.4
420.10849	26.0
464.10074	11.8
470.06091	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34855	0.5
58.30558	0.4
59.01366	0.5
61.98845	0.5
66.47789	0.4
71.01379	66.4
83.76179	0.5
108.58968	0.5
113.02407	0.6
115.00362	100.0
126.45594	0.6
156.04550	3.2
158.06107	2.6
173.02399	5.7
186.05630	5.5
188.04808	2.7
210.05635	0.5
298.04849	0.6
299.05829	0.6
300.06714	2.4
314.08444	0.6
316.06149	3.4
317.06772	1.1
318.07697	4.2
327.05655	0.6
328.06223	4.3
330.07904	0.5
332.09329	0.9
342.08139	1.5
345.06461	7.9
346.07233	10.2
346.10956	0.8
360.08740	5.9
361.09750	3.0
372.05011	1.1
376.11954	40.8
384.16220	0.6
420.10989	11.8
438.37946	0.5
464.09891	27.7
464.26035	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50873	0.8
50.57825	0.8
54.90845	0.9
58.54311	0.9
59.01381	4.1
60.78675	0.8
61.68093	0.9
71.01383	10.4
71.71723	0.9
72.99306	74.2
73.02928	2.5
85.02931	2.2
89.02435	3.9
91.31622	1.0
99.00879	1.7
101.02422	8.1
102.02769	2.0
107.04978	1.0
113.02459	5.0
116.31082	0.9
122.02497	5.8
123.04539	19.2
132.40242	0.9
135.04527	34.3
149.06073	2.2
151.04010	1.8
159.03032	1.1
161.04582	5.8
179.03508	68.2
197.04572	100.0
255.10638	1.1
293.55063	1.2
302.10321	3.7
332.18155	1.4
341.08762	4.0
464.12088	75.6
464.22122	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50873	0.8
50.57825	0.8
54.90845	0.9
58.54311	0.9
59.01381	4.1
60.78675	0.8
61.68093	0.9
71.01383	10.4
71.71723	0.9
72.99306	74.2
73.02928	2.5
85.02931	2.2
89.02435	3.9
91.31622	1.0
99.00879	1.7
101.02422	8.1
102.02769	2.0
107.04978	1.0
113.02459	5.0
116.31082	0.9
122.02497	5.8
123.04539	19.2
132.40242	0.9
135.04527	34.3
149.06073	2.2
151.04010	1.8
159.03032	1.1
161.04582	5.8
179.03508	68.2
197.04572	100.0
255.10638	1.1
293.55063	1.2
302.10321	3.7
332.18155	1.4
341.08762	4.0
464.12088	75.6
464.22122	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
69.91645	1.0
84.02157	21.7
85.02931	6.4
144.04518	2.8
172.05319	1.2
172.26308	1.1
189.53621	1.2
232.41628	1.4
320.09610	3.5
328.09894	1.6
345.09976	5.4
346.10800	11.2
360.12396	5.8
361.12979	4.7
420.14545	24.2
464.13504	100.0
485.87625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
69.91645	1.0
84.02157	21.7
85.02931	6.4
144.04518	2.8
172.05319	1.2
172.26308	1.1
189.53621	1.2
232.41628	1.4
320.09610	3.5
328.09894	1.6
345.09976	5.4
346.10800	11.2
360.12396	5.8
361.12979	4.7
420.14545	24.2
464.13504	100.0
485.87625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80699	0.6
52.23389	0.6
52.49800	0.7
54.45621	0.6
59.01385	13.1
60.01721	0.9
60.27005	0.9
61.98825	5.2
66.49799	0.7
69.03410	0.7
71.01371	1.5
72.91793	0.6
77.59245	0.7
82.73166	0.7
85.02946	7.1
88.54671	0.7
89.02429	1.3
97.02953	17.4
101.02434	1.3
113.02443	0.9
113.91241	0.8
115.03997	30.6
148.94974	0.8
159.03265	3.8
160.04042	16.3
188.03545	87.6
232.07222	1.5
288.07001	1.0
320.05661	5.9
332.05627	1.5
335.07880	1.3
390.09802	1.0
464.13531	100.0
464.25708	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.06523	0.3
119.01562	0.4
130.28979	0.4
142.65727	0.5
146.08257	3.9
163.85791	0.4
218.10298	0.6
247.36205	0.4
287.61368	0.4
327.11469	0.4
365.43835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36603	1.0
52.30014	1.1
52.92003	1.0
54.65428	1.0
59.01381	16.1
68.15408	1.2
71.01385	9.1
71.05034	1.1
75.00835	1.8
79.54268	1.1
85.02947	5.7
87.00863	2.7
88.25748	1.3
89.02441	6.1
97.02946	11.7
101.02435	4.9
113.02443	2.4
115.04000	37.0
116.05042	7.1
119.03476	1.5
142.06621	100.0
158.06096	12.4
186.05624	47.4
204.06668	35.5
246.07713	1.8
366.11969	76.4
464.09125	2.6
464.15649	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44807	0.7
59.01383	15.8
61.98833	100.0
62.07954	0.7
71.01373	1.1
72.28654	0.9
82.55933	0.8
85.02909	1.0
91.10867	0.8
101.02460	1.2
186.18593	1.0
296.28540	1.0
333.64935	0.9
353.86386	0.9
357.19263	1.9
428.64938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86863	0.9
78.95883	2.3
84.93880	2.2
89.92946	0.8
96.96002	1.1
99.92582	52.0
99.93250	1.8
100.93352	14.8
111.94962	0.9
115.92078	24.3
116.92853	89.1
125.92888	4.0
149.63814	0.9
152.99545	7.7
153.99915	1.6
165.76045	1.0
167.95930	0.9
184.95494	1.4
309.30588	0.9
402.21063	1.5
422.07092	1.2
446.19977	9.1
460.17807	1.9
464.21133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18223	0.4
53.23638	0.6
53.41458	0.5
54.82868	0.5
61.98831	100.0
69.56380	0.6
78.95897	0.8
91.06903	0.5
101.79486	0.6
103.87526	0.5
112.66033	0.6
136.92772	0.6
152.99605	1.2
216.32831	0.6
231.38142	0.6
464.22092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79818	0.8
61.98830	100.0
112.53136	0.9
130.85068	0.9
135.51581	1.0
145.01134	0.9
152.99565	2.1
177.31764	1.0
267.64474	1.0
307.09070	1.1
322.10828	1.1
464.14346	1.3
464.21149	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01813	1.0
60.44464	1.0
61.98834	100.0
67.78378	1.2
71.78992	1.1
77.13120	1.2
78.95912	1.7
98.20746	1.1
131.32494	1.4
152.99573	5.3
165.31905	1.3
250.44545	1.4
268.51846	1.9
364.11612	1.3
429.50928	1.5
464.20993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25781	0.3
66.17821	0.3
78.95902	3.7
92.22563	0.4
97.23654	0.3
152.99548	0.6
154.02773	0.8
192.61122	0.3
194.47432	0.4
210.05467	0.6
227.71764	0.4
228.06482	1.7
253.21742	100.0
292.54346	0.4
294.57468	0.4
464.27826	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2787
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
54.61481	0.5
63.23026	0.5
78.95896	2.9
95.20216	0.6
95.73853	0.6
119.96457	0.6
140.01198	1.1
148.60852	0.6
150.89856	0.8
164.95178	0.6
186.33798	0.6
186.99091	0.7
196.03806	1.2
214.04829	2.3
267.23312	100.0
389.04715	0.6
464.27856	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84783	0.5
56.20935	0.5
65.72440	0.6
69.10564	0.6
70.33949	0.5
78.95897	8.2
113.11091	0.6
116.92818	2.4
124.61290	0.6
125.33909	0.6
140.01176	4.7
152.99550	2.8
160.85295	0.6
192.39449	0.6
196.03787	9.0
267.23309	100.0
464.27832	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2786
Annotation	Ascochalasin
Peak:m/z	Relative Intensity
54.14209	0.9
62.30068	0.9
70.54762	0.9
73.98333	0.9
78.95902	9.1
83.20187	0.9
83.55296	1.0
140.01172	5.0
141.94902	1.0
149.10812	1.0
152.99545	1.9
196.03767	7.9
214.04906	1.4
218.75316	1.0
267.23315	100.0
288.09485	1.1
292.75842	1.2
296.67389	1.2
371.24158	1.2
464.21445	2.1
464.27875	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02564	0.4
54.06480	0.3
57.09238	0.4
69.92132	0.4
79.95766	1.1
80.02549	0.5
90.47435	0.4
93.03416	0.7
95.16388	0.4
96.96008	100.0
97.83211	0.4
106.63473	0.6
134.96753	0.4
192.85139	0.5
230.41998	0.5
273.05020	0.5
302.66718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53164	0.4
59.97260	0.5
63.61929	0.5
68.04452	0.5
79.95718	0.8
81.45724	0.5
90.00051	0.4
95.91086	0.5
96.96001	100.0
168.42487	0.5
191.05634	0.7
240.01656	0.5
241.04459	0.5
278.56125	0.6
286.17252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25723	0.3
57.35555	0.3
67.51383	0.3
79.95741	0.4
91.72016	0.4
96.96001	100.0
153.01949	0.4
256.38348	0.3
352.27637	0.4
373.03802	0.4
456.10452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87247	0.5
59.01386	9.9
61.97842	0.6
63.89777	0.5
71.01382	10.5
72.99302	1.2
77.86632	0.5
85.64066	0.6
89.02449	4.2
98.85421	0.5
99.04503	0.8
101.02447	2.4
113.02456	1.2
115.00365	38.0
119.03518	0.5
131.03494	3.2
133.01431	100.0
161.04613	0.7
167.10786	0.8
169.01436	3.9
179.05457	0.8
331.06650	0.8
380.79706	0.7
405.21484	1.4
465.13901	1.0
465.19543	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14687	0.5
56.55711	0.5
59.01389	6.8
60.97807	0.5
62.40646	0.5
62.75580	0.5
71.01380	7.5
72.99310	1.0
87.01815	0.5
89.02443	2.2
115.00361	41.5
119.03497	0.6
133.01424	100.0
142.87834	0.7
165.32219	0.6
169.01398	5.3
215.68855	0.7
249.61716	0.6
368.75397	0.6
405.21326	0.7
456.98822	0.6
464.80243	0.6
465.13519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87247	0.5
59.01386	9.9
61.97842	0.6
63.89777	0.5
71.01382	10.5
72.99302	1.2
77.86632	0.5
85.64066	0.6
89.02449	4.2
98.85421	0.5
99.04503	0.8
101.02447	2.4
113.02456	1.2
115.00365	38.0
119.03518	0.5
131.03494	3.2
133.01431	100.0
161.04613	0.7
167.10786	0.8
169.01436	3.9
179.05457	0.8
331.06650	0.8
380.79706	0.7
405.21484	1.4
465.13901	1.0
465.19543	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71726	0.5
58.57154	0.5
59.01382	5.7
65.26846	0.5
66.34573	0.7
71.01377	7.5
72.99307	1.4
75.30529	0.6
79.01770	0.5
86.79127	0.6
87.00882	0.9
89.02432	4.0
93.39795	0.6
101.02404	1.0
109.34724	0.6
113.02453	1.3
115.00358	38.9
117.01986	0.7
130.21222	0.8
133.01424	100.0
159.38385	0.8
163.04065	0.9
169.01448	4.3
181.05023	2.8
195.03230	0.7
213.46884	0.7
276.10278	0.7
277.10123	0.7
406.14539	4.9
465.20544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71726	0.5
58.57154	0.5
59.01382	5.7
65.26846	0.5
66.34573	0.7
71.01377	7.5
72.99307	1.4
75.30529	0.6
79.01770	0.5
86.79127	0.6
87.00882	0.9
89.02432	4.0
93.39795	0.6
101.02404	1.0
109.34724	0.6
113.02453	1.3
115.00358	38.9
117.01986	0.7
130.21222	0.8
133.01424	100.0
159.38385	0.8
163.04065	0.9
169.01448	4.3
181.05023	2.8
195.03230	0.7
213.46884	0.7
276.10278	0.7
277.10123	0.7
406.14539	4.9
465.20544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
60.70544	0.5
62.52818	0.6
68.19367	0.6
71.01386	8.1
72.99309	1.5
78.48095	0.6
87.00900	1.0
89.02425	2.6
96.95989	0.7
96.96953	0.8
115.00369	35.6
120.26151	0.6
133.01427	100.0
145.91158	0.6
147.19531	0.7
169.01421	3.8
191.05566	1.1
209.36501	0.6
438.12534	0.8
447.08392	0.8
454.30130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70306	0.7
59.01386	39.1
59.05265	0.6
71.01381	2.8
71.33862	0.7
85.02946	1.0
88.98808	1.7
89.02446	4.6
93.03399	1.0
96.96019	6.3
101.02454	1.5
113.02453	2.8
154.79631	0.6
159.04517	10.1
172.05296	1.1
173.04645	1.6
173.06041	10.5
179.05692	0.8
185.06081	48.8
187.04033	1.3
191.05637	22.6
200.04904	0.8
201.05603	13.2
203.07176	12.6
217.05200	1.3
227.03462	1.4
228.04315	7.3
229.05063	100.0
243.02997	3.2
247.06187	1.8
273.04074	14.5
291.05133	72.1
390.32993	0.8
391.31808	0.9
405.21341	9.6
447.09277	3.2
465.10315	21.3
465.16043	1.4
465.23422	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45868	0.8
62.47905	0.9
67.25365	0.8
67.32591	0.9
85.74136	0.9
112.61070	0.9
126.44790	1.1
131.04637	4.4
133.01431	4.6
165.13698	1.1
168.99971	1.1
191.05626	7.8
195.01501	8.4
213.02547	2.1
231.03603	51.1
233.29756	1.3
236.04933	1.1
273.04697	32.1
283.03101	2.1
299.06271	4.6
301.04187	15.5
309.04721	1.3
327.05731	17.4
368.66965	1.2
369.06766	6.6
387.07883	37.3
405.08926	100.0
465.11243	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46367	1.2
59.01377	9.6
63.08424	1.2
67.01896	2.6
70.78351	1.3
71.01389	3.1
85.02942	2.6
87.00854	2.7
89.87199	1.3
93.03442	37.5
96.71491	1.2
111.04494	11.3
129.28040	1.6
134.03731	10.4
136.89743	1.2
137.02440	2.8
149.06087	10.6
155.03477	5.5
159.35820	1.4
160.07491	1.5
172.97762	1.3
173.04550	100.0
191.05623	77.9
193.05045	12.9
204.04268	1.7
219.06659	1.5
232.07462	2.8
240.21736	1.3
247.09790	1.9
291.08804	20.6
367.10312	11.7
405.21329	5.9
465.14114	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75065	0.8
59.01373	4.2
59.31947	0.8
60.99296	0.8
71.01386	5.3
71.03459	0.9
88.98791	13.5
89.02439	6.3
93.03432	4.1
97.98648	0.8
101.02488	1.5
106.63693	0.9
111.04519	5.6
113.14304	0.9
115.00354	2.2
117.03438	1.8
123.04418	0.8
130.08647	1.4
133.02963	0.9
134.03740	39.9
136.38535	0.9
145.05057	1.1
149.06078	25.0
151.04001	2.3
155.03493	5.8
173.04584	21.2
188.08429	13.2
191.05656	1.0
193.05067	72.7
199.53508	1.1
203.10823	1.5
232.07391	4.7
237.27493	0.9
244.92815	1.1
247.09807	9.2
291.08798	100.0
405.21350	1.8
465.14166	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91442	0.7
65.33157	0.7
67.01883	0.9
71.01385	1.4
77.07779	1.0
82.70928	0.9
87.00874	0.7
90.03624	0.7
92.93316	0.8
93.03436	5.2
111.04514	3.5
134.03751	31.9
146.08231	1.2
149.06082	61.0
151.03986	8.1
154.28815	0.7
155.03499	6.8
173.04556	14.9
181.11116	0.8
188.08455	3.0
191.05653	4.3
193.05049	28.2
202.06250	1.1
217.08653	1.8
232.07431	9.2
247.09760	5.5
291.08792	100.0
367.10416	1.4
404.36713	0.8
465.14081	47.0
465.20676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84475	0.9
59.01390	9.8
59.23651	0.9
62.40703	1.1
63.49292	1.0
71.01390	2.4
71.38140	1.0
73.68623	0.9
89.02454	1.6
93.03444	6.6
101.02456	1.3
111.04517	6.0
113.02398	1.5
117.03461	2.3
120.33898	1.0
125.93250	1.1
134.03737	41.4
134.04727	2.1
149.06075	24.9
151.04002	2.4
155.03494	6.5
161.02396	1.1
173.04564	26.3
173.05992	2.0
185.06097	29.0
187.07655	1.6
188.08463	16.4
191.05641	37.9
193.05077	76.3
201.05554	1.3
202.06367	1.3
203.07249	1.7
203.10756	1.8
219.06804	1.3
229.05078	68.8
232.07416	2.5
247.09822	9.2
273.04056	27.1
288.03033	1.2
291.05298	6.8
291.08768	100.0
374.80264	1.1
402.97342	1.4
405.21179	4.2
447.08963	2.0
465.09711	7.8
465.14182	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24552	0.5
51.08685	0.5
57.59525	0.4
59.01397	0.4
60.99318	0.9
61.91985	0.4
67.01911	3.3
67.79411	0.5
71.01382	2.1
82.80965	0.4
85.02971	2.0
87.00867	8.0
93.03446	24.1
93.04022	1.0
103.23705	0.5
110.71663	0.4
111.04508	5.2
120.56400	0.6
125.94544	0.5
129.01910	0.9
134.03740	3.8
149.06064	5.4
150.03178	1.1
155.03488	0.8
165.05560	3.0
166.06363	0.9
167.88078	0.5
173.04535	28.2
176.79089	0.5
181.08623	0.6
191.05620	100.0
193.05035	4.8
204.04295	2.8
219.06667	3.5
232.07312	0.6
245.06712	2.0
247.09590	1.0
291.08743	6.9
314.11441	1.2
329.13968	4.1
367.10297	11.3
465.13837	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85102	0.7
57.49598	0.9
59.01381	7.7
59.35729	0.8
60.99316	1.6
67.01888	3.9
71.01380	5.3
72.04199	0.9
76.42840	0.8
76.65171	0.8
78.79626	0.7
79.29229	0.8
85.02953	1.8
87.00877	9.0
89.02479	1.5
93.03448	36.3
99.04542	1.5
99.68412	0.9
111.04506	10.4
113.02449	4.1
127.04017	1.2
129.01970	1.4
134.03751	12.8
137.02434	3.3
148.61653	0.9
149.06087	16.5
151.03976	3.4
155.03522	7.0
173.04555	100.0
185.06082	1.6
188.08482	2.1
191.05597	9.1
193.05115	22.5
203.10968	1.1
204.04283	2.0
219.06645	2.0
229.05124	4.9
232.07404	1.3
247.09830	3.5
291.05359	4.6
291.08774	32.0
291.11783	1.3
405.21506	3.7
421.18146	0.9
459.31201	0.9
465.14206	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21424	0.5
57.15990	0.5
59.01381	2.7
61.17371	0.5
67.01878	2.4
68.39507	0.6
71.01367	3.2
75.57019	0.6
87.00874	2.7
89.27048	0.6
93.03449	21.8
106.11290	0.6
111.00867	0.6
111.04523	6.1
113.02448	0.8
129.52409	0.7
134.03740	6.0
137.02409	4.6
149.06059	9.9
151.04018	1.0
155.03485	4.8
170.04277	0.7
173.04541	100.0
191.05623	39.7
191.07365	1.0
193.05026	5.9
201.02528	0.7
204.04173	1.1
211.69614	0.6
219.06598	0.6
232.07402	1.3
247.09673	2.3
275.50452	0.7
291.08774	16.4
367.10446	5.0
431.10675	0.8
465.14038	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
62.38186	0.4
70.85255	0.5
71.01362	1.8
83.05008	0.6
85.02946	2.7
89.02451	1.0
92.16328	0.5
93.03445	3.1
111.04501	5.1
134.03735	31.2
137.02490	0.5
145.02988	0.6
148.04692	0.5
149.06076	59.5
151.03990	8.0
155.03493	5.5
173.04549	16.3
173.05907	0.7
187.07626	0.8
188.08470	2.9
191.05583	3.4
193.05072	31.8
193.52252	0.5
202.06364	1.0
217.08716	2.3
219.06648	0.6
222.73618	0.5
229.08762	0.7
231.06627	0.6
232.07428	8.3
245.11311	0.5
247.09782	7.9
291.08780	100.0
321.15408	0.6
367.10382	2.6
379.48376	0.5
465.14066	37.0
465.20642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
67.01874	2.0
71.01382	0.9
74.16714	0.4
93.03446	14.5
95.23240	0.5
105.61706	0.5
109.02966	0.7
111.04513	3.9
134.03732	6.4
137.02457	3.8
149.06097	10.3
151.03967	0.9
155.03510	5.2
173.04556	100.0
191.05618	2.5
193.05101	5.0
232.07426	0.8
247.09807	0.8
278.40634	0.5
291.08807	13.6
367.10394	1.9
378.48877	0.6
465.14108	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82587	1.1
59.01384	2.4
67.01913	1.4
71.01369	1.4
82.14471	1.4
85.02926	1.8
87.00871	2.0
87.12148	1.3
93.03449	14.4
95.31622	1.1
111.04497	7.4
134.03743	27.4
149.06079	63.1
151.03998	7.5
155.03535	6.6
173.04539	25.7
177.31009	1.3
188.08495	2.0
191.05675	10.5
193.05064	33.5
217.08658	2.1
219.06630	1.3
232.07375	8.0
247.09773	11.7
268.40994	1.2
277.68835	1.2
291.08777	100.0
367.10376	2.5
465.14047	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02074	0.9
64.84338	1.0
80.94241	1.0
91.09287	1.0
99.92587	9.6
100.93357	49.4
104.19194	1.1
105.04607	1.1
112.50073	1.2
114.94917	5.7
115.92071	100.0
116.92801	4.4
142.94418	70.2
145.45348	1.1
169.93181	1.1
190.77757	1.0
204.41840	1.0
219.94788	1.0
277.21820	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58492	0.4
64.08815	0.4
66.45959	0.4
71.72274	0.4
75.00869	10.6
78.95900	57.9
80.21540	0.4
96.96960	6.0
104.07877	0.4
113.02444	0.5
152.99582	100.0
156.57697	0.5
171.00641	4.3
211.43956	0.5
262.43680	0.5
267.19644	2.9
275.16650	0.6
293.17639	0.8
339.65488	0.5
447.17731	1.1
465.19016	57.3
465.26962	10.6
479.72952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.19
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
61.98837	3.7
71.01383	0.4
75.00874	5.3
78.95904	100.0
79.64150	0.3
96.96005	0.5
96.96954	7.8
113.32923	0.3
118.53913	0.3
118.80820	0.3
138.26099	0.4
139.19168	0.3
150.98036	1.3
152.99590	82.4
168.92624	0.4
171.00638	2.3
227.73041	0.4
267.19705	4.2
293.17587	1.3
345.53040	0.4
447.17978	3.3
465.18866	60.7
465.26807	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35488	0.2
59.84629	0.3
61.98823	1.2
69.58652	0.2
78.95901	60.7
89.02441	0.3
96.96955	6.4
98.69955	0.3
104.46445	0.2
141.69487	0.2
150.98036	1.1
152.99583	100.0
171.00630	3.6
175.74747	0.3
267.06619	0.4
267.19751	3.2
293.17557	1.5
311.18716	0.3
346.44440	0.2
375.54294	0.3
447.17764	1.9
465.18845	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14872	1.0
53.70513	0.9
61.98817	1.0
78.91277	1.0
78.95904	100.0
96.36801	0.9
96.56612	0.9
96.96949	9.0
101.93072	0.9
150.97958	1.3
152.99585	95.3
171.00537	2.2
186.06789	1.1
267.19376	4.0
278.96170	1.1
447.17657	1.2
458.43616	1.1
465.18521	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1903
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
51.77813	2.9
53.72903	2.7
56.00635	2.9
103.16237	3.3
106.05362	3.4
116.95914	3.3
122.62827	3.5
167.54102	4.0
279.74606	4.1
465.19037	100.0
465.26544	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2134
Annotation	CARDIVIN C
Peak:m/z	Relative Intensity
50.09216	0.9
59.01376	5.0
61.90469	1.0
61.98829	1.4
63.37034	0.9
64.91138	0.9
71.01377	5.6
72.39751	0.9
78.95903	42.2
78.96359	1.6
85.02941	1.7
89.02439	1.1
94.37003	1.0
96.96042	1.5
96.96967	4.3
101.02430	3.7
110.75653	1.2
113.02409	2.4
119.03474	1.1
122.03747	2.2
135.04529	30.3
136.05313	4.2
148.05330	1.5
152.99586	64.8
161.04533	8.5
164.04837	6.0
171.00667	16.4
174.06889	9.4
175.07661	2.5
189.09265	5.8
206.19728	1.1
241.15996	6.1
244.14682	4.7
258.16254	100.0
259.17029	43.1
273.15106	1.4
284.09076	2.0
301.18289	1.6
312.59064	1.2
421.22403	6.0
465.22186	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82989	1.2
59.34766	1.3
61.35152	1.4
78.95905	67.4
96.95968	1.5
96.96944	11.1
111.95659	6.5
112.63117	1.5
152.99580	100.0
171.00583	3.8
211.69232	1.9
241.03775	1.5
264.39120	1.6
295.15118	1.6
350.03098	1.6
447.21347	6.5
455.66547	2.1
465.14819	2.3
465.22684	14.7
465.28510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2269
Annotation	Fissistin
Peak:m/z	Relative Intensity
61.98829	2.5
62.32051	0.4
75.71538	0.4
78.95903	36.3
81.63043	0.4
85.02984	0.5
96.96053	1.3
96.96952	4.9
109.67326	0.4
110.36170	0.4
125.65027	0.4
134.76401	0.4
150.98033	1.5
152.99590	100.0
163.26498	0.5
169.62491	0.4
171.00705	3.4
185.90254	0.4
221.30519	0.4
254.33167	0.5
259.17047	0.8
464.53839	0.5
465.22610	52.0
473.71783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
78.95902	47.3
79.95731	38.2
80.96516	9.5
96.96001	19.8
96.96956	6.2
108.29765	1.3
108.67906	1.2
109.67622	1.3
125.09728	9.6
132.87950	1.2
152.76796	1.3
152.99565	6.4
153.12785	3.1
156.10382	1.6
169.08771	1.3
170.11864	1.4
186.11349	44.5
197.11835	7.9
214.14497	67.6
214.16537	2.9
250.07542	100.0
264.09225	2.7
266.06915	2.3
278.10693	85.8
373.17975	2.9
391.18997	6.1
465.22559	44.7
465.28473	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08416	0.4
53.98794	0.4
59.01382	100.0
67.76899	0.4
71.01380	9.0
77.73068	0.4
80.83810	0.4
85.02963	0.5
89.02441	13.0
96.96003	8.3
98.93868	0.5
101.01878	0.6
101.02427	4.5
102.01761	0.4
106.94576	0.4
112.35518	0.4
113.02437	3.3
115.00320	3.6
115.04042	0.8
119.03489	5.3
125.02440	0.8
126.04757	0.4
131.03528	0.5
134.03745	0.5
143.03537	0.7
148.02019	0.4
149.04659	0.5
149.09720	0.8
161.04576	1.8
167.10773	1.2
179.05635	5.7
188.19312	0.5
193.05029	0.8
208.28737	0.6
235.14986	0.6
285.04324	0.6
291.08807	0.6
398.49545	0.6
405.21384	20.7
465.23508	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04501	1.7
51.87099	1.5
59.01380	90.3
62.03468	1.8
63.74942	1.8
71.01382	27.8
73.02942	16.0
78.95902	14.2
83.01394	4.6
85.02938	24.8
87.00895	4.0
89.02444	9.5
89.89955	2.3
95.01379	4.3
97.02940	4.8
99.00879	8.9
101.02435	43.3
113.02441	35.9
125.02475	3.4
143.03554	4.1
148.07298	2.3
161.04573	5.2
173.04590	2.4
291.18198	19.5
333.19363	2.8
334.54889	2.2
405.21365	100.0
423.22427	95.8
423.26935	2.3
465.22043	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
57.03444	0.5
59.01383	42.0
69.41562	0.6
71.00995	1.2
71.01377	16.9
73.02937	13.2
83.01389	3.7
85.02942	8.6
87.00877	0.6
89.02445	6.1
93.49795	0.7
96.60221	0.6
97.02954	0.7
99.00869	8.2
99.50893	0.7
101.02438	27.4
108.54797	0.7
113.02435	15.9
123.10878	0.6
131.03473	1.1
143.03484	2.5
159.03053	1.5
161.04559	9.5
273.17297	0.6
291.18152	18.6
333.19232	1.2
423.22366	14.1
465.23425	100.0
473.93439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
56.21507	1.7
59.01385	100.0
61.83818	1.6
71.01369	22.6
73.02941	4.7
81.57877	1.8
83.01407	2.3
85.02928	6.6
87.00884	2.3
89.02432	9.9
99.00878	3.4
101.02408	24.2
103.48448	2.0
113.02424	15.0
119.03483	3.1
159.60431	2.0
161.04584	9.0
164.04683	2.4
165.05231	2.2
243.16124	3.4
307.17661	20.4
354.68671	2.4
387.20273	45.4
405.21387	36.7
465.17450	3.4
465.27060	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	1.5
59.01384	100.0
71.01376	12.3
73.02946	3.4
75.00874	2.0
84.44840	1.4
85.02943	8.5
88.02331	1.4
88.51213	1.4
89.02442	3.2
97.02948	2.5
99.00865	2.0
101.02443	15.5
113.02425	7.2
115.03988	9.6
160.04010	6.1
161.04507	7.0
168.00803	2.0
188.03481	14.3
189.03854	12.3
190.46233	1.3
244.84705	1.5
280.07352	1.4
303.21762	2.2
307.14270	1.6
307.17685	48.2
346.17023	1.7
348.10611	1.6
349.72589	1.6
465.13870	30.5
465.27359	37.6
477.34451	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.235
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
52.36048	1.5
54.60257	1.6
59.01101	3.3
59.01382	60.3
71.01375	42.5
72.99289	2.8
73.02937	11.0
79.61653	2.1
83.01393	3.0
85.02943	12.2
89.02436	42.7
96.95986	23.0
99.00213	1.9
99.00867	9.7
101.02436	35.6
106.85590	2.2
113.02451	25.4
119.03505	14.2
138.03241	3.3
149.30206	2.0
297.08347	2.0
303.21820	4.7
333.19299	3.7
405.21341	14.4
429.99213	2.6
465.22659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2651
Annotation	Wilforol A
Peak:m/z	Relative Intensity
52.99117	0.7
54.04608	0.6
59.75168	0.7
80.87131	0.7
82.99793	0.7
83.10488	0.7
96.96009	1.5
152.99602	2.9
172.05328	1.7
173.06049	1.3
180.86807	0.7
186.06783	1.0
187.07654	3.5
188.08479	4.2
199.07622	1.7
201.09248	11.7
202.10034	1.5
213.09250	4.3
215.07231	1.4
229.08704	32.2
240.22565	0.9
241.08733	6.7
254.13144	1.1
255.13889	3.0
256.14703	6.3
271.17117	15.0
283.13431	5.0
299.16458	1.2
311.20041	0.9
324.20953	7.4
327.12271	1.1
372.44171	0.9
393.28006	17.1
421.27539	24.0
465.26437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61972	0.4
57.46810	0.4
57.67099	0.4
59.01381	9.7
60.27485	0.3
62.73545	0.4
66.06833	0.4
71.01378	7.0
72.43252	0.4
73.02953	2.2
83.01379	1.9
85.02946	4.0
87.00871	0.8
88.43760	0.4
89.02428	2.4
93.03436	3.0
96.95995	1.0
99.00864	0.7
101.02440	9.1
111.04500	0.6
113.02442	4.3
129.09225	1.7
142.18828	0.4
173.04538	5.3
191.05588	1.9
285.20715	10.0
303.21829	19.6
358.05768	0.5
421.11578	0.6
429.25598	0.6
447.26096	8.2
465.13971	4.1
465.27103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68514	0.3
53.97563	0.3
55.01889	0.3
57.03446	0.4
59.01380	7.2
64.84499	0.3
71.01379	8.0
71.18571	0.3
73.02938	2.8
75.43319	0.3
79.95729	0.8
83.01382	2.1
85.02926	3.4
86.00034	0.3
89.02438	1.4
92.22534	0.5
99.00875	1.5
99.04482	0.5
101.02444	9.6
113.02455	4.1
115.00346	3.8
129.01912	0.4
159.02942	0.4
161.04472	0.4
200.37495	0.3
228.24330	0.4
239.84315	0.3
257.21243	2.4
285.20761	1.9
303.19385	0.4
303.21893	5.5
348.50250	0.4
377.12076	0.8
447.26086	2.2
465.27094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63575	0.6
59.01379	1.5
71.01376	1.8
72.99300	4.8
73.02976	0.9
73.49401	0.7
75.00865	83.4
78.95912	5.4
83.01382	1.0
83.76518	0.7
101.02453	1.4
113.02454	1.3
126.48763	0.7
152.99620	7.0
246.89246	0.8
362.27960	0.7
427.49680	0.8
465.27106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
59.01384	7.4
60.77578	0.3
70.32558	0.4
71.01377	6.5
72.02528	0.4
72.99303	0.8
73.02937	3.5
76.04063	0.4
83.01379	1.8
84.54783	0.4
85.02940	7.3
88.63989	0.4
89.02433	1.6
94.27380	0.3
99.00874	1.8
101.02446	11.5
103.02863	0.4
111.00874	1.6
113.02422	4.4
114.54568	0.4
119.72671	0.4
130.23067	0.4
137.62918	0.4
149.02467	2.9
149.23509	0.4
150.02756	0.7
151.02866	0.6
161.04552	1.0
164.04784	6.2
165.05150	2.9
166.05289	0.9
179.07193	0.9
180.07491	0.6
205.05241	0.5
257.21219	3.0
285.20749	2.0
303.21957	3.3
419.26566	1.7
447.25989	6.4
465.17703	6.4
465.27100	100.0
467.75342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68278	1.0
58.68575	0.9
59.01380	45.8
68.95137	0.7
71.01373	10.2
73.02941	3.9
75.00874	0.9
80.25229	0.7
83.01391	1.6
83.56209	0.8
85.02940	8.3
89.02435	3.4
99.00822	1.2
101.02431	14.8
113.02443	5.4
115.03978	1.1
119.04993	1.3
160.72714	0.8
161.04556	1.1
163.04065	1.1
173.04497	3.7
219.88055	0.8
229.98865	0.9
280.07288	1.0
303.21628	1.0
319.11734	0.9
327.11057	1.0
404.45190	0.9
447.26047	1.6
465.16348	3.3
465.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.12727	0.6
77.44070	0.5
77.65725	0.6
78.95932	0.6
85.89821	0.5
92.42894	0.6
93.14539	0.6
115.18092	0.5
152.99609	1.3
182.37912	0.6
231.32021	0.6
235.59937	0.5
235.71956	0.5
239.82880	0.6
429.30081	1.3
447.31201	0.9
465.32141	7.0
465.37497	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95924	0.4
53.40672	0.3
59.01378	0.6
66.39708	0.4
72.00674	0.4
87.12567	0.5
87.75259	0.5
109.49910	0.4
111.05860	0.4
122.87981	0.4
127.54167	0.4
128.91994	0.4
141.09219	3.8
152.99622	0.8
157.59918	0.4
162.87431	0.4
185.08226	0.6
203.07491	0.5
203.09282	2.2
234.45888	0.4
261.22266	0.5
277.21835	3.2
279.23318	100.0
377.27023	0.5
465.32785	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48067	1.1
57.34776	1.2
58.02962	2.5
59.01382	15.8
61.14705	1.2
67.89520	1.1
71.02500	2.1
77.38055	1.2
78.95892	2.2
96.00905	39.8
102.37437	1.1
106.02866	1.2
113.03552	7.7
152.99561	5.8
166.98741	1.4
171.10333	1.3
177.15532	1.3
277.21710	2.6
295.81577	1.3
302.24869	6.1
304.18317	1.4
373.24985	100.0
465.23792	1.3
465.31754	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97123	0.8
58.02972	2.4
72.04563	1.6
74.02468	41.6
78.95892	1.0
103.44418	1.0
116.05054	16.5
120.41437	0.9
122.58931	1.2
130.06631	1.0
131.75397	1.1
142.06619	4.7
152.99570	2.2
159.09288	5.1
175.88043	1.1
203.08261	39.5
236.35620	1.0
271.40515	1.1
283.26544	7.2
283.29321	1.0
299.83972	1.1
311.21207	1.1
318.24292	8.1
336.25366	1.5
421.32321	1.5
465.31219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3231
Annotation	Certonardosterol A4
Peak:m/z	Relative Intensity
53.73558	1.0
61.98806	1.2
78.95898	5.5
83.05017	1.1
84.24345	1.0
89.73074	1.2
94.98072	2.2
96.70221	1.0
97.06603	1.4
125.09721	1.8
152.99626	9.1
165.09328	1.6
210.27118	1.2
223.45422	1.1
259.20682	1.6
261.70096	1.2
277.21661	7.6
299.05862	1.1
305.21613	1.2
319.22864	5.0
321.24319	5.8
331.22986	8.0
331.26312	1.8
333.24472	2.4
367.30267	1.6
385.31143	10.8
403.32135	2.4
411.29221	6.3
429.30109	18.6
441.21609	1.5
447.31192	21.6
465.32214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3223
Annotation	Certonardosterol A4
Peak:m/z	Relative Intensity
54.81816	0.8
57.83601	0.8
59.01374	1.0
59.50585	0.9
72.44450	1.0
72.81053	0.7
74.39416	0.7
78.44444	1.0
78.95882	1.7
81.95425	0.9
83.05023	0.7
89.36919	0.8
95.04995	1.2
97.06570	4.2
122.50360	0.7
123.08157	4.2
125.09713	8.3
125.10522	0.8
151.11269	1.1
152.99603	3.6
156.60176	0.9
171.10188	1.1
181.12442	0.8
185.11807	4.0
193.16098	1.0
221.15649	1.0
233.19153	1.4
254.21938	1.0
255.10004	1.0
259.20691	5.3
261.22269	4.8
273.22156	1.2
275.23828	3.3
277.21701	7.8
287.23944	1.1
294.59534	1.0
295.22791	4.1
305.21378	1.5
307.22815	1.5
317.21143	0.9
319.22876	7.9
321.20706	3.1
321.24435	6.9
331.22894	1.0
331.26620	1.0
333.24030	1.1
385.31161	4.6
393.24435	3.5
403.32428	3.5
411.29196	2.0
421.24084	1.6
429.30045	12.0
447.31149	15.9
465.32291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	12.5
78.95904	8.0
96.96009	7.0
99.92592	3.2
100.93346	1.2
115.92062	4.0
116.92852	1.9
129.09247	5.6
130.69275	0.7
131.35715	0.7
141.09219	100.0
152.99588	18.1
167.07129	8.4
185.08206	14.0
185.09723	1.2
203.09303	1.3
223.32384	0.8
237.31021	0.9
279.23303	72.0
465.19702	6.4
465.30649	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3225
Annotation	28-Norbrassinolide
Peak:m/z	Relative Intensity
51.72247	1.3
57.03437	1.3
68.13991	1.8
70.96646	1.5
78.95899	2.2
79.81812	1.6
82.18029	1.3
92.22511	3.2
97.06590	2.4
97.65344	1.6
120.35036	1.4
121.54459	1.7
125.09717	100.0
130.38721	1.6
135.18440	1.7
169.08739	3.3
187.09750	56.0
271.71484	1.8
277.21747	9.7
283.26498	3.8
295.22864	13.1
407.38885	1.5
465.32272	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3227
Annotation	Varanic acid
Peak:m/z	Relative Intensity
54.21936	1.3
71.01372	3.6
73.04143	1.5
78.95907	2.9
92.22562	2.2
97.03004	1.6
105.49120	1.5
152.99593	6.4
171.10297	3.6
283.26511	2.8
331.30148	45.6
335.27081	1.7
341.32129	1.7
359.33209	17.9
375.29059	61.4
377.34174	12.6
403.32242	26.4
421.33597	5.8
447.31180	26.6
465.32272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3225
Annotation	Varanic acid
Peak:m/z	Relative Intensity
54.66389	1.1
56.37597	1.1
59.01379	1.7
63.56046	1.2
64.69603	1.3
64.70690	1.3
72.81799	1.3
78.95911	10.2
82.70403	1.3
96.96990	1.2
125.00101	2.2
125.09743	7.5
150.23485	1.5
152.99640	7.6
155.58830	1.3
157.93095	1.3
169.08780	5.4
171.10307	5.5
181.02765	3.1
266.66403	1.4
277.21698	3.2
283.26450	51.8
293.21347	7.4
295.22839	2.0
321.24484	3.3
357.31717	10.8
359.33148	14.3
359.63806	1.5
379.25153	1.4
403.32187	80.6
447.31476	3.0
465.32272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86008	0.3
62.72972	0.4
69.73427	0.3
79.95702	0.3
89.02147	0.4
95.13718	0.4
96.96011	10.0
105.74133	0.3
152.99615	0.7
171.10286	1.5
187.53300	0.3
347.22888	0.3
377.79370	0.5
389.40506	0.4
411.60184	0.4
465.32629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89515	0.4
63.15269	0.4
66.70573	0.4
66.94897	0.5
75.87130	0.5
78.95901	2.3
96.95995	7.3
125.09711	0.6
150.66237	0.5
151.92563	0.5
152.99605	1.2
281.24930	2.3
282.25272	2.7
283.25485	6.6
403.23572	0.5
465.32770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48531	11.3
54.58628	13.9
78.95898	30.1
124.92205	17.5
152.99570	94.5
249.22198	22.3
249.91255	15.8
255.23512	19.0
465.31662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38480	0.6
52.32443	0.8
54.50561	0.6
55.73609	0.7
57.65118	0.7
73.98020	0.8
77.42766	0.7
85.02944	35.0
92.23073	1.1
96.95995	6.4
104.28754	0.8
111.00880	1.4
118.59421	0.8
128.01154	3.7
129.01926	11.3
146.70200	0.8
161.04825	26.4
176.05766	1.3
176.07158	16.0
203.62808	0.8
276.56409	0.8
292.06131	1.9
307.08527	31.1
322.10852	66.2
333.10190	1.2
337.13199	2.0
348.12466	5.5
362.14035	1.1
363.14752	10.3
370.81461	1.1
378.17169	16.5
422.16132	8.6
466.15109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01911	1.9
52.37978	1.1
59.34472	0.9
63.31097	1.0
63.69097	1.0
64.38102	0.9
71.01377	9.6
92.22601	1.3
96.99316	2.8
98.32061	1.3
115.00370	5.4
119.06213	1.1
123.04510	1.6
130.06622	100.0
131.03741	1.9
145.79468	1.1
158.03740	2.8
159.03246	1.6
160.07669	2.4
173.06070	11.8
174.05559	6.0
190.08777	5.4
247.88087	1.2
291.38290	1.2
318.07755	1.6
321.10410	1.5
330.11389	1.3
333.10205	4.7
347.11758	1.9
348.12378	12.0
362.14029	5.0
363.14481	2.0
378.17319	8.8
422.16296	16.3
452.06189	1.3
466.15155	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60033	0.8
57.10705	0.7
59.73484	0.6
61.61753	0.7
61.98832	100.0
70.35242	0.9
75.70618	0.8
78.95901	1.5
109.88576	0.8
152.99567	6.1
217.43073	0.7
233.53932	0.8
310.79248	0.8
466.23050	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73819	1.0
61.98832	100.0
62.74735	1.1
63.62257	1.1
65.49457	1.1
66.29745	1.0
69.97803	1.2
74.30853	1.2
86.77536	1.3
99.17171	1.2
126.23828	1.2
134.97357	1.3
215.97743	1.4
272.13995	1.4
359.23013	1.6
403.28482	24.6
430.30505	9.1
455.91202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2941
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
78.95895	10.6
86.79832	0.6
87.14816	0.5
102.66975	0.6
105.09789	0.5
116.20605	0.6
121.32555	0.6
144.05446	0.5
152.99556	3.1
154.02789	6.0
210.05367	7.1
228.06354	0.8
255.23305	100.0
269.24857	23.9
307.70242	0.6
466.29349	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49483	0.4
78.95885	3.2
87.62287	0.4
88.22334	0.4
136.80354	0.5
138.67476	0.4
140.01186	2.5
188.37781	0.5
196.03831	2.7
214.04919	1.7
269.24872	100.0
466.29373	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2943
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
54.51315	0.4
56.99913	0.5
57.20015	0.3
63.56762	0.4
65.96651	0.4
66.76979	0.4
70.95436	0.5
78.95908	9.5
80.42886	0.4
124.71224	0.4
125.09633	0.5
140.01152	4.6
152.99626	0.8
196.03845	9.3
214.04909	1.0
268.85684	0.5
269.24869	100.0
466.29178	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50167	1.6
59.01382	2.9
62.21111	1.5
71.01386	2.4
73.98504	1.7
89.49118	1.8
99.31728	1.9
99.92597	9.7
100.93359	76.8
108.02060	1.8
109.31446	1.8
113.02457	3.0
115.92070	100.0
116.92852	30.5
122.68501	1.7
125.02454	2.0
134.03755	16.6
142.94438	8.6
149.06125	13.0
150.43825	1.7
168.95935	14.6
173.04572	3.8
175.04015	10.9
178.02690	19.9
191.05655	2.6
192.96042	2.7
193.05070	71.0
210.97054	31.4
217.96782	3.1
228.98079	37.4
240.42909	1.9
240.94754	2.1
261.95737	37.1
321.09750	19.5
387.01804	8.2
390.00565	4.0
405.02896	64.2
408.52200	2.0
423.03711	7.2
437.01849	53.9
449.01794	3.4
467.02902	2.4
467.11969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97941	1.5
70.06392	1.6
79.06511	1.6
81.17711	1.5
91.97506	1.9
99.92583	8.6
100.93361	81.0
100.94028	2.9
115.92070	100.0
116.92856	91.6
134.03729	23.8
142.94411	7.6
149.06073	12.6
175.04007	4.2
178.02763	14.1
191.05789	1.9
192.96002	2.0
193.05058	57.9
205.65451	1.8
210.97035	29.7
217.96747	6.8
228.98074	35.9
233.96248	1.6
240.58513	1.7
261.95749	30.5
292.97437	2.9
312.63391	1.8
321.09921	13.5
383.70911	1.7
387.01697	6.3
390.00412	3.3
398.36429	2.0
405.02823	46.6
410.92953	1.7
423.03763	7.5
437.01852	42.6
467.03052	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
65.34273	1.4
83.48370	1.4
85.02946	2.3
93.03460	1.5
99.92559	8.1
100.93353	79.9
115.92072	100.0
116.92855	93.5
119.04942	1.7
134.03728	18.6
142.94421	3.6
145.02922	7.9
149.06097	11.1
151.04839	1.7
162.51546	1.6
168.96051	2.1
175.03995	7.6
178.02681	15.0
193.05080	58.3
210.97043	25.7
217.96753	3.5
228.98112	34.4
233.96265	1.7
261.95782	30.3
276.98129	1.9
321.09769	13.7
369.11844	2.5
387.01825	8.6
390.00476	2.9
405.02853	45.2
423.03842	10.0
437.01788	52.1
437.07477	2.3
467.03143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84840	1.5
59.01387	14.1
71.01375	8.1
79.87598	1.8
85.02927	3.0
89.02444	8.4
92.23041	2.4
99.00901	2.0
99.92574	5.0
100.93351	71.0
101.02424	7.2
109.02884	2.6
113.02435	3.5
115.92074	100.0
116.92850	46.0
134.03751	20.1
142.94408	9.3
149.06061	11.3
152.19191	2.3
153.25238	2.1
168.95979	11.9
175.04034	9.3
178.02702	15.7
181.05099	2.3
191.05647	8.2
193.05070	66.3
210.97032	28.8
217.96678	4.2
228.98120	43.2
243.12779	2.1
261.95761	36.1
321.09918	19.0
387.01669	9.3
390.00742	8.0
405.02921	44.9
407.23141	16.1
423.03772	3.8
437.01904	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18765	1.8
57.42400	1.7
57.53669	1.6
58.47651	2.2
59.01393	2.4
64.59077	2.1
68.64022	1.6
71.01379	2.3
80.91666	4.3
90.36666	1.9
91.29772	2.0
99.92580	10.5
100.92725	4.1
100.93361	82.0
108.02149	2.3
108.96120	2.1
115.91238	4.3
115.92064	100.0
116.92001	4.0
116.92850	96.3
134.03731	22.4
149.06134	16.7
168.96030	4.1
175.04057	2.4
178.02704	12.2
193.05078	68.7
196.54716	2.0
210.97052	34.4
213.80959	1.9
217.96751	9.5
228.98103	32.7
261.95810	29.2
283.17880	2.0
321.09753	14.7
387.01929	8.6
390.00558	3.0
405.02936	49.3
423.03900	10.5
437.01807	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14960	0.3
85.02946	2.6
87.00866	0.4
88.98209	0.3
93.03452	0.5
99.30781	0.3
173.04585	0.4
179.82047	0.4
191.05630	100.0
199.43690	0.3
222.28246	0.3
289.77246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34141	0.2
85.02923	2.5
87.00868	0.4
93.03479	0.4
99.00861	0.3
111.04527	0.5
127.04001	0.6
129.21361	0.3
142.30600	0.3
154.12962	0.3
155.96994	0.3
173.04582	0.6
191.05627	100.0
191.30063	0.3
220.33154	0.3
271.61417	0.4
361.26007	0.3
438.55304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26859	1.1
58.86426	1.1
59.01154	1.2
59.01384	21.6
66.31532	1.0
66.91952	1.0
71.01373	17.2
72.99281	1.7
73.02941	1.7
74.99077	4.6
79.95750	1.4
80.96515	75.0
85.02940	2.5
87.00865	2.2
89.02438	22.1
90.04905	1.4
101.02451	15.8
105.01947	1.7
113.02428	8.3
119.03538	9.0
121.32863	1.1
127.66911	1.3
128.29079	1.3
128.30116	1.1
131.26515	1.4
136.99118	2.5
139.28058	1.1
161.04480	1.3
193.43301	1.2
194.66327	1.6
205.12329	23.3
297.30286	1.3
305.02335	1.3
314.06006	1.3
383.36694	1.3
385.18552	5.6
467.15842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84455	0.3
57.95089	0.4
58.43148	0.3
59.01375	1.0
65.55128	0.3
68.76928	0.3
71.01371	0.6
79.95744	1.0
92.23083	0.5
94.20129	0.5
96.96004	100.0
101.02433	0.6
104.05314	0.4
136.99162	0.4
163.04044	0.5
172.47272	0.5
259.38654	0.5
368.37445	0.5
423.18704	1.8
467.15836	1.0
470.38400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04014	0.8
71.24743	1.0
73.13678	0.9
73.42812	1.0
84.77087	0.9
86.74631	0.9
99.92583	13.1
100.93361	69.6
114.94915	6.2
115.92073	100.0
116.92863	5.1
142.94424	90.6
149.91832	1.0
156.16913	1.3
279.23340	17.9
379.15768	4.4
404.21188	1.0
467.17767	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78199	0.4
51.59542	0.4
51.68055	0.4
55.42870	0.4
56.11401	0.4
58.83848	0.4
63.61596	0.4
65.00342	0.6
77.36049	0.5
124.01663	2.4
133.06613	8.6
137.02420	2.5
149.02409	0.8
149.09717	0.6
151.07646	0.7
163.00377	1.0
190.06364	0.6
190.99924	0.7
192.07936	8.9
193.01474	2.0
205.08745	0.6
217.08655	0.6
217.16075	3.6
218.05922	4.7
218.09326	0.8
219.13860	0.5
231.06577	2.2
234.08958	0.6
236.06967	0.5
243.06622	6.2
243.13809	6.2
249.07739	2.7
261.07709	29.6
261.14963	30.1
287.12924	67.4
303.12573	0.5
305.13956	7.6
464.24011	0.6
467.19257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37535	0.9
59.01375	7.4
61.98836	18.0
66.78284	0.9
71.01355	4.4
72.43903	0.9
73.74579	0.9
75.92435	1.0
78.95901	5.8
89.02444	2.4
92.33135	0.9
100.39999	1.2
100.97254	1.2
101.02408	1.6
113.02444	1.6
116.92817	1.3
119.01416	1.1
135.04529	1.4
149.02483	2.0
152.99568	6.6
163.04001	5.1
164.04826	12.6
175.00352	10.6
190.02737	73.6
204.46275	0.9
205.05067	80.3
207.03116	1.2
207.06538	1.0
208.03874	1.2
209.04514	3.8
223.06131	5.3
251.05681	1.2
273.81982	0.9
437.14575	7.2
452.16980	1.5
467.19165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67665	0.7
51.86104	0.6
52.46911	0.7
55.66202	0.7
59.01384	21.6
62.59249	0.7
67.99819	0.9
71.01371	7.5
71.91085	1.0
73.02922	1.2
85.02945	1.9
87.00877	0.9
89.02428	4.5
93.03436	1.0
99.00855	1.4
100.62474	0.8
100.93356	4.3
101.02442	6.4
113.02434	5.2
115.92036	5.8
116.92838	5.4
151.11288	4.0
161.04530	1.8
169.12334	34.7
171.10269	94.6
173.04497	1.1
192.00639	4.6
193.05011	2.2
207.02975	6.3
213.11377	7.8
231.12401	12.4
253.09302	5.0
342.37097	0.9
405.02792	1.5
407.19000	1.5
467.21350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97789	1.0
59.01386	18.6
59.58846	1.2
70.94884	1.0
71.01392	1.5
89.02447	2.6
92.22573	1.4
100.93356	1.6
101.02425	5.1
103.91647	1.1
113.02448	1.9
120.60348	1.3
151.11267	7.3
161.04517	1.4
169.12354	33.0
171.10266	99.2
192.00661	18.0
197.29123	1.1
203.03641	1.3
207.03017	16.7
213.11354	6.8
231.12378	7.6
242.90466	1.4
253.09369	4.7
299.87512	1.2
467.11890	10.0
467.21368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95923	3.3
80.91671	4.4
83.05019	4.3
93.03448	39.8
109.02953	2.8
111.04490	24.5
137.02452	47.2
138.42101	1.9
143.08521	1.8
152.99608	11.3
155.03493	20.5
163.85988	2.1
173.04562	2.7
174.69420	1.8
184.90697	1.9
221.33110	1.9
223.88875	2.2
249.18646	7.9
267.19659	100.0
275.16531	4.3
293.17621	39.3
307.17651	4.8
311.18680	20.9
311.22238	3.9
315.15775	24.1
333.16907	24.6
348.12738	2.1
380.94443	2.4
385.22220	14.9
407.17117	2.3
449.21744	4.1
467.22836	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2292
Annotation	Cardivin B
Peak:m/z	Relative Intensity
55.01880	1.0
57.03467	0.6
58.29112	0.7
59.01101	1.6
59.01382	30.4
63.55962	0.7
69.72762	0.7
71.01378	18.2
72.99314	0.8
73.02938	5.2
83.01389	3.7
85.02946	9.8
89.02436	10.6
95.01360	2.0
99.00866	1.2
101.02429	15.8
103.15768	0.8
113.02448	10.5
113.39521	0.9
119.03504	2.0
131.05365	0.8
133.85907	0.8
135.10774	0.8
182.97612	0.8
261.18698	1.3
308.64578	0.9
379.72247	0.9
467.22980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61224	1.2
59.01383	2.7
63.23525	1.1
65.18147	1.1
67.08008	1.3
68.40407	1.1
88.49729	1.4
91.05531	100.0
107.67464	1.3
127.04041	2.4
135.04530	53.2
155.03468	1.5
166.39934	1.4
203.03499	1.5
346.08118	1.6
373.43854	1.4
374.47263	1.3
439.10364	1.4
467.14905	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2416
Annotation	12-O-Benzoylisolineolon
Peak:m/z	Relative Intensity
50.92553	0.6
53.42490	0.6
54.85505	0.7
59.01370	1.4
59.93495	0.7
73.10843	0.7
77.98305	0.6
78.57351	0.6
78.58174	0.7
78.95895	7.2
98.23402	0.7
106.26192	0.7
133.15549	0.7
133.85739	0.7
152.99576	38.0
170.19006	0.7
171.00594	1.3
177.47134	0.8
227.03239	3.6
239.20169	100.0
258.56384	0.9
324.13892	0.8
348.47107	0.7
371.05875	0.8
467.24152	90.6
473.80356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2424
Annotation	Jaborosalactone P
Peak:m/z	Relative Intensity
59.01371	1.3
78.95904	6.0
87.15810	0.7
124.76995	0.7
152.99597	14.1
207.85742	1.1
227.03238	1.7
239.20189	100.0
293.21259	1.0
305.44983	0.8
353.20770	0.9
423.25436	1.7
467.24152	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2419
Annotation	12-O-Benzoylisolineolon
Peak:m/z	Relative Intensity
57.28712	0.8
59.01384	0.8
62.33329	0.7
66.93815	0.9
73.30511	0.9
78.95891	7.2
91.23495	0.8
105.18159	0.9
116.29637	0.9
140.26393	1.1
147.16656	1.1
152.99580	39.0
153.00758	1.9
171.00641	1.1
227.03215	3.8
239.20183	100.0
245.04333	1.4
355.13416	1.1
371.79111	1.0
412.75494	1.1
432.69229	1.1
467.24188	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2424
Annotation	12-O-Benzoylisolineolon
Peak:m/z	Relative Intensity
50.92610	0.6
59.01371	1.3
72.30415	0.6
78.82842	0.8
78.95903	3.0
87.00848	1.5
90.87087	0.7
94.86778	0.6
111.04623	0.7
112.81605	0.7
130.64047	0.8
151.43015	0.8
152.98489	0.8
152.99608	12.3
158.22920	0.8
171.00584	1.3
227.03299	1.3
239.20192	100.0
245.04236	1.2
281.04733	0.9
309.90616	0.8
311.22321	1.7
467.24167	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.5
71.02510	2.0
75.44817	0.8
76.86172	0.8
83.25896	0.9
94.71715	0.8
94.98603	0.8
96.00909	40.9
113.03564	8.2
115.25238	0.8
124.86684	1.0
128.31334	0.8
152.99611	2.1
157.14206	0.9
254.21378	1.1
270.64639	0.9
278.24918	6.0
279.23190	7.0
290.27252	1.0
304.26425	8.6
332.25974	1.7
333.25455	1.6
375.26559	100.0
467.33884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37249	0.6
59.01378	4.7
59.08016	0.6
63.98022	0.6
75.00841	1.1
76.68358	0.7
86.87741	0.7
89.34943	0.8
102.77530	0.7
111.83552	0.8
125.09721	4.3
127.12505	0.7
141.09244	0.6
152.99590	0.8
187.09744	1.1
197.78548	0.7
205.10870	1.3
214.69255	0.7
279.23315	100.0
281.24927	3.3
467.33783	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3382
Annotation	5alpha-Cholestane-3beta,6beta,8,15alpha,16beta,26-hexaol
Peak:m/z	Relative Intensity
65.22891	1.2
67.73051	1.3
68.23422	1.4
78.22205	1.8
83.75955	1.6
91.35680	1.7
97.06027	1.6
97.06593	10.5
123.08245	2.2
125.09711	100.0
187.09724	32.8
196.99158	1.6
274.31863	1.8
297.24350	41.5
297.59839	1.7
417.42578	2.0
423.25574	7.4
435.25323	5.8
467.33890	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12648	1.5
59.01381	100.0
64.27627	1.2
78.63210	1.3
78.95895	24.3
81.60936	1.3
83.45071	1.4
90.81684	1.7
115.91987	2.3
152.99582	11.8
171.10316	1.8
184.81120	1.6
190.31999	1.5
233.06863	1.6
281.09824	1.6
344.47101	2.1
352.73590	1.9
361.32257	3.3
407.32816	42.1
423.25684	3.7
431.23596	1.7
467.27417	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41324	0.8
75.62651	1.0
78.55042	0.9
106.56163	1.1
110.43174	1.0
145.73767	0.9
209.71895	1.0
262.67728	1.0
276.06702	4.7
277.07358	6.9
278.08264	16.8
304.06223	1.8
305.07007	14.5
306.07767	100.0
308.09131	1.5
435.30515	1.0
460.23422	1.0
468.13052	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49289	0.2
60.43501	0.2
61.82208	0.2
64.01130	0.2
65.16101	0.2
67.96579	0.3
71.01377	21.9
72.99297	3.8
74.20164	0.2
83.58913	0.4
87.00885	0.4
89.02433	3.1
94.20930	0.3
103.04008	0.6
115.00363	62.0
133.01428	100.0
133.05005	2.6
191.78467	0.3
258.05682	0.5
260.07159	0.5
274.08807	5.4
276.10205	0.3
288.06842	0.5
290.07974	0.4
294.07776	0.5
304.06332	0.6
304.09726	1.2
305.06699	0.5
306.54520	0.3
309.10080	1.6
318.07892	1.1
319.08691	0.4
320.09085	0.5
352.11847	2.7
399.05914	0.3
468.17322	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28061	0.7
51.90995	0.6
55.04080	0.8
60.04882	0.7
71.01378	32.2
72.99297	4.6
73.65317	0.7
75.22360	0.8
87.91553	0.8
89.02449	1.6
90.81112	0.8
92.45662	0.8
98.83067	0.9
115.00365	71.5
133.01431	100.0
176.37065	1.0
195.23869	0.9
392.09860	0.9
468.13086	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81034	0.5
53.55272	0.5
70.07669	0.6
72.14050	0.6
77.96725	0.5
83.85532	0.6
87.67446	0.6
106.27480	0.7
143.98543	0.7
237.86818	0.7
239.26691	0.7
263.05737	1.1
276.06616	2.7
277.07504	4.6
278.08240	16.4
304.06223	1.6
305.06967	13.1
305.53964	0.7
306.07742	100.0
308.09293	4.4
468.13000	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24397	0.7
85.47085	0.7
109.02943	21.9
116.05019	1.4
121.02935	0.7
123.55547	0.8
132.04539	10.7
134.03761	1.0
135.04515	1.4
142.02916	1.0
159.03221	3.4
160.04041	100.0
200.09392	0.9
200.75124	0.9
265.05045	18.7
266.05887	7.7
280.07516	1.6
281.08121	1.2
295.09790	1.4
316.06192	4.4
319.80545	0.7
334.98584	0.8
392.09161	0.9
408.09348	1.0
410.10410	1.4
420.08932	1.8
436.08295	1.1
437.09174	3.0
438.09738	12.8
468.14551	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.147
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78642	0.4
71.66078	0.4
76.75054	0.4
83.34903	0.4
109.02945	20.8
116.05070	0.8
121.02950	0.9
131.03720	0.6
132.04543	9.4
134.03773	0.8
135.04558	0.6
142.02966	1.6
159.03264	4.1
160.04034	100.0
257.48141	0.5
265.02383	0.9
265.05072	19.0
266.05869	6.9
280.07339	3.1
281.08359	3.0
295.09790	2.6
300.06775	0.6
316.06143	4.8
328.06296	0.9
329.06906	0.9
392.09274	0.6
408.08633	0.8
410.10434	2.3
420.08710	2.9
437.09033	0.9
438.09738	13.8
452.11148	0.8
453.11951	0.7
468.14548	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51720	0.6
75.01263	0.7
100.93351	0.9
109.02945	24.2
115.92061	0.8
131.03622	0.8
132.04553	8.4
134.03741	8.4
159.03209	3.2
160.04045	100.0
174.76022	0.7
249.05884	0.8
265.05087	16.7
265.07605	1.2
266.05927	8.0
280.07437	4.6
281.08493	2.7
295.09619	1.1
316.06226	3.5
408.08728	1.7
410.10245	2.7
420.08893	3.0
436.08353	0.9
437.09012	1.6
438.09720	10.9
453.11874	1.0
468.14594	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72757	0.7
78.59503	1.0
82.27367	0.9
100.93332	1.3
109.02950	23.5
115.92082	2.2
116.05060	0.9
121.02991	1.1
131.03754	1.4
132.04570	11.5
134.03773	2.0
135.04512	0.9
140.75288	0.9
142.02953	1.1
159.03299	3.5
160.04047	96.6
242.19186	0.9
265.05084	19.7
266.05835	7.4
269.27173	0.9
269.32541	1.0
272.79620	0.9
280.07416	4.1
281.08255	1.9
295.10065	1.1
309.78754	1.0
316.06158	4.5
329.06744	1.2
346.65738	1.0
408.08682	2.0
410.10464	1.5
420.08640	1.3
422.10306	1.0
437.09174	1.1
438.09515	10.0
452.11813	2.0
453.11835	1.0
454.53134	1.0
468.14575	100.0
493.89917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68875	0.4
51.60735	0.4
52.50694	0.4
54.51990	0.4
61.74276	0.5
61.98832	100.0
64.99394	0.5
96.09760	0.5
116.46337	0.5
117.09367	0.5
138.03204	1.3
166.02707	13.0
321.11581	0.6
396.26233	0.9
405.20767	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85998	1.2
71.01377	46.5
73.64889	1.2
96.96058	1.4
115.00358	100.0
143.77153	1.7
150.03242	3.1
165.01871	11.9
165.05530	3.0
179.03510	2.5
180.04256	22.6
195.06648	38.6
200.25067	1.7
210.05313	5.2
225.07684	6.8
421.15051	3.0
469.17273	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78708	0.7
56.23147	0.8
56.40757	0.8
62.42153	0.7
69.26105	0.8
71.01380	1.0
74.24307	0.9
75.50355	0.8
84.27225	0.8
88.16068	0.8
109.02943	50.2
133.01413	1.3
144.52275	0.8
153.01936	100.0
167.22507	0.9
191.05545	1.0
205.91414	0.8
209.98131	0.8
235.80939	0.9
243.96602	0.9
315.10764	1.3
469.13837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
65.15398	0.8
66.92599	1.0
67.01890	5.3
69.44308	0.8
71.01377	4.9
75.00880	1.2
81.41121	1.0
85.02943	1.7
87.00876	0.9
89.02444	3.9
96.96000	4.8
101.02431	2.1
108.02130	2.0
111.00872	100.0
113.02425	1.4
115.00357	1.9
123.04521	6.1
124.01663	3.8
127.05132	1.1
134.03735	1.2
151.03986	3.7
152.99510	1.0
162.03212	9.4
164.04782	1.5
177.05588	6.0
179.03488	4.8
179.07166	1.5
180.04272	4.0
193.05058	1.5
195.06647	17.1
342.09689	6.1
353.21732	1.4
354.20770	1.3
357.11929	89.8
454.06189	1.0
469.13519	9.5
469.22794	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68438	0.9
55.21744	1.0
59.01383	3.9
71.01387	1.3
85.02943	1.9
87.00842	1.3
89.02459	1.8
93.03465	1.6
97.02943	0.9
108.02137	1.3
109.02944	48.0
113.02438	1.1
115.03978	1.1
123.04514	2.0
131.07133	11.9
135.04498	6.8
153.01933	100.0
153.05518	12.7
155.03471	1.2
173.04518	6.3
173.82820	0.9
179.03471	7.8
191.05609	25.1
207.10326	4.1
233.08200	5.6
257.67688	0.9
315.10880	5.2
335.57092	1.0
353.08768	5.6
379.12241	4.0
469.14011	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.147
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77558	2.9
63.98952	2.4
95.02498	3.2
101.02449	4.1
113.03555	44.0
114.01948	18.6
131.04616	100.0
176.04790	3.2
191.07230	2.8
203.06700	17.0
235.06065	5.8
239.62921	3.1
275.35205	2.7
327.36008	2.8
337.09106	4.1
418.96103	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43298	0.6
59.01386	0.8
71.01323	0.7
71.52687	0.7
71.63248	0.6
73.15352	0.7
85.02967	3.5
85.78503	0.7
93.03455	0.6
95.60819	0.7
96.96963	1.1
98.15131	0.6
98.83927	0.7
191.05630	100.0
337.12994	0.9
368.70670	0.8
371.11761	1.4
484.74124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57326	0.5
60.73213	0.5
63.93619	0.4
68.53484	0.5
85.02950	2.6
99.00899	0.8
116.73420	0.5
127.04002	1.0
150.91830	0.5
191.05630	100.0
209.73918	0.6
263.06683	0.7
270.52097	0.6
310.15918	0.6
334.54172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52015	0.5
54.10032	0.4
59.01390	0.6
65.75008	0.4
85.02940	2.1
87.70801	0.4
93.03468	0.5
111.53055	0.5
127.04059	0.6
136.30727	0.5
150.82176	0.5
167.63112	0.5
173.04582	0.7
191.05627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.2
57.15409	0.2
59.01395	0.3
64.36640	0.2
73.02892	0.3
74.59304	0.2
83.05046	0.3
85.02940	2.7
89.02440	0.3
93.03456	1.9
101.02487	0.3
111.04491	0.7
113.02438	0.4
127.03992	0.7
133.05046	0.5
145.09818	1.5
173.04553	1.9
191.05629	100.0
192.05978	1.1
204.12340	0.3
228.41580	0.3
310.20013	0.3
312.37787	0.3
335.25732	0.3
399.24625	0.3
441.22974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80703	0.3
56.96785	0.4
59.01371	0.4
67.00272	0.5
71.42320	0.4
78.20760	0.4
85.02940	3.0
87.16459	0.4
93.03441	0.5
169.34048	0.5
173.04521	0.8
191.05623	100.0
217.97896	0.5
469.13364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.7
59.01385	16.1
71.01379	9.1
73.02934	0.9
78.63348	0.6
83.01371	0.8
85.02946	2.5
89.02433	7.1
93.62876	0.6
101.02433	6.4
113.02436	5.1
119.03448	1.1
120.84894	0.5
134.03743	2.3
135.04512	2.5
147.00797	0.6
149.02463	4.6
149.05994	0.9
163.03989	9.3
164.04822	11.8
166.02705	2.3
175.00342	4.3
177.05556	3.2
178.06389	2.2
179.07169	0.7
183.06607	2.4
190.02733	60.3
205.05070	75.3
207.02959	3.0
222.05327	1.0
223.06186	9.4
234.73689	0.7
428.72244	0.7
469.17178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30785	0.7
59.01139	0.9
59.01381	14.9
59.65021	0.7
61.98839	5.9
71.01363	6.3
89.02437	6.5
101.02432	4.3
107.05024	1.7
109.94715	0.7
113.02456	1.3
119.03455	1.6
125.09653	1.0
134.03723	4.4
135.04504	7.7
149.02460	1.1
163.04008	17.7
164.04807	5.0
166.02676	1.9
175.00380	1.0
177.01874	1.2
177.05542	1.6
183.06642	1.4
186.11327	1.0
190.02727	13.0
200.12979	1.3
205.05077	13.5
207.03040	7.5
222.05269	1.7
223.06068	3.0
230.09402	1.1
251.06322	0.9
268.15414	1.2
274.08453	3.3
289.10809	5.2
293.10373	1.1
311.49689	1.0
356.33707	0.8
439.12369	1.6
454.14627	1.4
469.17172	100.0
469.28204	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77725	0.6
52.25646	0.6
59.01379	15.6
59.37830	0.7
60.93526	0.6
63.34068	0.7
71.01379	8.2
71.63960	0.7
73.02960	0.6
83.01382	0.8
85.02910	1.2
89.02449	8.0
92.22476	0.9
101.02428	5.5
111.69144	0.7
113.02441	3.6
113.14645	0.8
116.19098	0.7
119.03468	1.2
134.03737	1.7
135.04565	2.9
148.93929	0.8
149.02408	3.9
149.06021	0.9
152.11223	0.8
163.04008	9.4
164.04805	10.1
166.02725	1.4
167.03445	0.9
175.00346	4.4
177.05553	1.5
179.07253	1.4
183.06654	1.2
190.02728	56.4
191.93988	0.9
205.05077	69.4
207.02907	1.3
222.05385	0.8
223.06158	10.1
230.09433	0.9
256.60925	0.8
276.95343	0.9
381.27551	0.9
469.17197	100.0
482.51941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01434	1.4
59.01379	3.6
71.01356	2.4
74.38696	1.4
89.02454	3.2
89.36892	1.6
89.84453	1.5
90.02628	1.4
98.16238	1.5
98.86359	1.5
165.01924	31.8
179.03413	12.5
180.04300	69.3
182.02219	1.8
191.05669	1.9
194.05836	2.9
195.04810	3.6
195.06639	100.0
197.04608	3.0
210.05421	11.0
225.07741	21.1
243.08849	2.8
331.08466	3.0
409.17038	2.4
421.15057	12.9
433.13525	2.8
469.11804	2.0
469.17340	29.7
469.23251	2.9
491.79129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69587	0.5
53.38860	0.6
59.01384	14.4
66.90978	0.5
71.01374	7.7
83.01379	0.8
85.02940	1.0
89.02454	8.2
91.05508	0.7
92.22478	0.8
93.03432	0.6
95.59465	0.6
101.02454	5.9
107.05016	2.8
113.02445	3.4
119.03492	0.8
134.03712	4.5
135.04520	8.7
139.82573	0.6
149.02448	2.6
149.06119	1.2
151.03979	0.7
153.01808	0.7
162.03241	0.7
163.02640	1.1
163.03999	21.4
164.04765	4.5
166.02744	3.1
175.00449	1.0
177.01933	0.9
177.05597	3.3
178.06387	2.7
179.07155	0.8
183.06648	2.9
190.02716	15.1
199.95940	0.7
205.05061	17.2
207.03000	10.0
209.04549	0.9
213.98367	0.6
215.07101	1.4
222.05426	1.0
223.06140	1.4
233.38744	0.8
259.06152	1.0
274.08560	4.1
289.10809	6.1
293.10263	2.9
321.09988	2.3
343.18396	0.7
439.12213	1.4
469.17197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
62.76995	0.7
63.79579	0.7
71.01376	5.3
73.02941	0.9
75.96512	0.9
79.78050	0.7
85.02949	4.8
99.00842	1.2
99.05455	0.8
99.61887	0.9
100.93375	1.5
101.02440	5.0
113.02459	1.9
115.92089	1.9
137.09183	0.8
147.00914	1.3
149.02455	7.2
161.02573	0.9
163.04071	1.2
164.04813	14.9
175.00388	6.8
179.07173	0.9
190.02734	71.1
205.05067	89.7
208.03796	2.9
209.04570	3.3
223.06140	10.6
251.05963	1.0
285.13358	1.0
307.10059	0.9
439.12692	3.4
469.17224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40893	0.6
54.91814	0.6
55.54767	0.7
57.36123	0.5
59.01385	5.5
59.22359	0.6
71.01370	4.2
73.02950	0.7
85.02938	1.0
89.02416	2.9
101.02417	6.0
101.39824	0.7
113.02428	1.6
149.02440	4.1
163.03983	2.5
164.04805	11.6
175.00337	7.9
179.07098	0.7
189.51678	0.8
190.02722	71.7
194.20332	0.6
205.05064	80.5
207.02986	0.7
208.03770	1.4
209.04558	1.3
223.06186	6.9
276.56845	0.7
277.27817	0.7
409.20724	4.1
439.12372	2.5
454.15167	1.6
469.17188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.5
65.37447	0.5
67.70507	0.6
71.01376	4.2
82.92786	0.6
85.02960	0.6
89.02444	3.9
101.02424	2.8
105.47619	0.6
112.68125	0.6
113.02491	1.0
127.90494	0.7
135.04518	0.8
147.00877	0.6
148.63109	0.6
149.02441	3.7
152.01125	0.7
163.04001	4.1
164.04822	11.0
165.05498	0.9
175.00360	8.7
179.07137	1.0
190.02733	70.2
205.05075	79.9
208.03708	0.9
209.04526	1.1
223.04115	0.8
223.06126	8.5
225.09958	0.7
265.07117	1.5
287.13458	0.6
396.02271	0.7
439.12445	4.4
454.15234	0.9
469.17242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28341	0.7
59.01379	9.7
71.01377	7.5
73.02929	1.1
75.00909	1.0
85.02957	1.6
89.02432	4.4
92.22568	1.1
101.02480	6.3
104.42021	0.9
113.02443	4.5
133.39381	0.9
147.00912	0.9
147.04536	8.4
149.02406	8.3
152.01195	1.6
163.03998	3.6
164.04782	18.9
167.03427	0.8
175.00333	4.9
187.65913	1.0
190.02736	60.0
191.05678	0.9
205.05063	78.8
209.04652	1.4
223.06123	15.3
300.88260	0.9
323.12775	1.1
371.11185	1.1
439.13315	4.2
469.17218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27573	0.6
59.01136	0.8
59.01379	12.8
59.18282	0.7
62.64341	0.8
71.01389	8.7
72.32090	0.8
73.02931	0.9
77.51669	0.7
83.01377	0.9
85.02921	4.1
87.00841	1.0
89.02427	4.6
101.02457	5.9
110.75621	0.8
113.02427	4.0
114.04985	0.9
119.03490	1.0
127.03972	0.9
132.04585	1.1
134.03740	1.1
134.98595	0.9
135.04427	1.5
149.02415	4.8
154.18893	1.0
161.02440	13.4
163.02841	0.9
163.03908	5.9
164.04805	13.3
166.02798	1.4
175.00323	5.1
177.05574	1.6
178.06238	0.9
179.07146	1.1
190.02736	57.9
205.05077	70.6
207.02911	1.3
223.06078	8.1
289.10782	0.9
411.89627	0.8
450.89780	0.9
469.17047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61229	1.0
59.01105	1.5
59.01384	32.4
70.65447	1.0
71.01379	20.8
73.02950	13.5
83.01395	5.8
85.02934	8.0
87.04553	1.1
89.02441	15.5
97.02962	1.3
101.02438	32.9
103.04006	5.4
113.02443	13.6
115.03943	1.7
118.58250	1.2
119.03477	6.0
125.02412	1.7
129.93408	1.1
131.03455	1.5
134.05080	1.3
143.03476	6.6
161.04524	8.8
163.06142	7.4
188.72336	1.5
205.07187	4.8
263.11441	9.4
263.25702	1.3
298.78146	1.2
409.17203	100.0
410.27658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2016
Annotation	2,6-Bis(4-hydroxybenzyl-5,3'-dimethoxy-3-hydroxybibenzyl
Peak:m/z	Relative Intensity
58.02969	5.4
65.01469	1.0
67.03020	1.4
68.01397	1.6
73.88696	0.9
79.55467	0.9
85.04063	4.4
87.00867	9.6
99.92582	16.5
100.92731	2.1
100.93360	46.9
108.98670	1.0
115.92070	74.9
115.94433	16.8
116.92854	22.5
125.92879	9.1
130.01460	4.5
136.64841	1.0
141.96040	3.3
142.93152	4.3
168.97118	1.5
169.95471	1.9
170.93895	4.4
204.47252	1.2
265.96396	1.1
270.25217	1.3
271.25656	1.3
272.25867	2.1
280.26514	12.1
305.26123	1.4
407.19980	2.1
421.17886	1.5
451.18991	2.1
469.20160	100.0
469.30734	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43766	0.8
59.01381	100.0
63.01915	0.9
64.76719	0.9
71.01373	20.7
72.99291	1.3
73.02938	7.5
78.95903	1.0
83.01382	1.8
85.02943	12.0
87.00883	4.8
89.02436	10.4
95.01363	1.7
97.02963	1.1
99.00892	1.0
101.02438	17.3
101.46643	1.1
113.02431	10.7
119.03489	1.7
126.22980	1.1
143.03462	1.2
159.02901	1.1
161.04546	24.8
161.05766	1.3
164.04822	1.4
179.05655	1.3
190.02756	6.0
203.14412	10.6
205.05003	7.7
223.06123	1.4
229.12372	9.8
247.13327	4.0
327.09671	1.1
368.19223	1.3
378.62479	1.2
469.15765	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40259	1.3
54.38943	1.3
57.03470	1.3
57.03760	1.2
58.80255	1.3
59.01382	31.1
60.26337	1.3
63.05793	1.7
71.01384	19.7
73.02953	7.9
83.01405	2.4
85.02954	9.1
87.56648	1.5
89.02429	13.7
99.00877	3.8
101.02450	29.0
113.02424	12.5
122.12510	1.5
131.03500	8.6
143.03587	2.0
161.04526	6.5
164.04756	2.5
175.00269	2.1
181.70372	1.6
190.02733	20.1
194.02223	21.2
205.05045	23.2
209.04601	32.7
277.16510	12.6
409.20868	100.0
469.17664	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59346	1.0
57.03435	0.9
59.01377	21.9
63.31859	1.0
71.01380	26.8
73.02934	12.8
81.38843	1.2
83.01375	4.6
85.02955	13.7
86.00626	1.0
89.02435	8.4
92.22448	1.0
95.01399	1.6
99.00872	7.0
101.02445	47.1
104.37157	1.0
113.02457	17.5
128.29652	1.0
129.01971	1.4
130.15768	1.0
131.03479	1.1
145.99956	1.1
149.02429	2.3
158.58592	1.2
159.02979	5.0
161.04579	10.9
164.04793	7.6
175.00351	5.6
190.02740	54.0
205.05074	56.6
209.04649	1.1
213.07065	1.1
223.06194	5.4
277.16577	39.2
409.20847	100.0
439.12579	1.4
469.17224	71.9
469.23962	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01382	32.2
60.87384	1.1
71.01379	20.0
73.02942	10.7
83.01385	8.5
85.02947	12.6
89.02430	2.9
96.32104	1.1
97.02927	1.5
99.00882	5.0
101.02446	33.3
104.83295	1.2
113.02454	13.1
143.03456	1.4
145.02997	1.6
159.03036	1.7
161.04572	12.4
164.04842	1.4
190.02699	4.9
205.05087	4.9
263.15027	25.4
310.40768	1.2
409.20844	100.0
421.69067	1.3
469.16953	2.8
469.22672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66771	1.0
58.80892	0.9
60.56118	0.9
63.73206	1.0
68.10832	1.0
71.01382	11.0
72.85874	1.1
75.00868	1.3
81.38465	1.1
82.44418	1.2
88.04032	11.3
94.84829	1.2
96.95987	4.7
109.04083	1.8
111.00909	1.6
115.00368	15.0
120.22262	1.4
127.04276	1.2
127.05144	24.4
129.10323	6.1
130.08743	9.4
132.03001	11.1
134.03761	1.7
137.50008	1.3
140.07191	8.1
145.72621	1.1
149.06215	1.2
154.55438	1.1
157.09872	1.2
193.05077	1.4
195.11235	1.5
197.84142	1.1
201.12450	2.6
207.14986	21.2
222.12448	6.1
223.10880	13.8
240.13446	1.7
242.18694	2.2
310.21368	1.4
335.20996	11.5
353.21997	21.5
354.20425	17.4
354.89243	1.3
357.12057	1.5
441.62585	1.2
467.61819	1.4
469.23062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2579
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
51.28610	0.6
59.01375	1.1
60.05232	0.6
61.20031	0.6
61.28820	0.5
62.70016	0.6
63.43655	0.7
78.95905	3.5
130.08725	0.7
152.99583	12.4
171.00665	0.9
189.30542	0.8
241.21756	100.0
245.04370	0.8
409.19553	0.8
425.26981	2.5
469.25803	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2584
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
78.95904	6.4
121.02959	1.0
135.04546	6.6
140.84471	0.7
145.02946	1.1
146.03740	3.1
147.04570	1.2
152.99593	25.6
163.04025	1.3
173.06076	0.9
175.03955	1.0
186.37645	0.8
188.08466	3.1
189.09222	1.7
202.09996	0.9
217.08748	1.8
217.12418	1.1
227.03307	3.0
241.21744	100.0
245.11926	1.4
258.16190	1.0
270.16287	0.9
286.15836	3.0
301.21729	4.8
397.27533	7.3
405.20767	0.9
425.27023	11.3
469.25861	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2598
Annotation	Withametelin O
Peak:m/z	Relative Intensity
54.19046	2.1
58.69345	2.3
59.01387	2.0
62.16229	2.4
64.59949	2.1
74.89174	2.0
76.15190	2.4
82.74284	2.4
85.02955	3.5
91.03435	2.1
94.56709	2.4
99.04517	2.4
111.08176	2.6
123.75217	2.3
134.03726	2.3
135.11719	2.9
175.04134	2.5
175.07697	2.9
187.07668	2.7
189.04030	9.7
189.05614	3.0
199.07646	2.7
202.06383	3.0
202.10001	5.9
203.07185	3.1
207.05115	4.8
214.09930	2.7
217.08687	13.5
229.08742	4.0
241.12379	4.1
256.14777	3.0
257.11795	14.1
266.12936	3.5
269.15759	2.7
271.17075	2.9
272.23035	3.6
273.11374	2.9
281.15524	9.2
286.15958	4.9
287.16479	4.3
288.13824	5.7
299.16592	9.6
311.16696	3.8
337.21725	4.4
340.20447	5.4
355.22833	15.5
356.19830	5.3
389.24844	2.9
397.27521	8.6
403.55313	3.1
407.25864	3.2
425.27109	98.6
464.27206	2.6
469.26242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2576
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
65.83392	0.6
78.95897	3.9
89.27486	0.6
111.00871	3.1
152.99599	22.8
191.13284	0.7
227.03363	0.8
241.21759	100.0
245.04292	0.8
364.53323	0.7
437.01691	0.7
469.25793	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2578
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
59.01384	0.9
62.74606	0.6
64.32493	0.6
65.18710	0.6
65.67875	0.5
78.95892	1.1
108.31446	0.6
140.28781	0.6
152.99567	11.0
154.09370	0.7
162.64621	0.6
211.56229	0.6
227.03304	1.3
241.21745	100.0
248.27673	0.7
303.86502	0.6
469.25751	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2578
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
57.94999	0.4
61.54380	0.5
78.95909	5.1
96.96981	0.5
109.45982	0.6
111.45910	0.5
130.45021	0.6
135.20453	0.6
152.99582	23.3
227.03297	1.3
241.21751	100.0
245.04271	0.7
469.25760	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2578
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
51.72193	0.4
52.30942	0.5
59.01364	0.5
78.95905	4.1
84.65033	0.5
97.97715	0.6
111.00881	0.8
139.11282	0.6
152.99588	22.2
155.96516	0.6
171.00632	1.1
227.03305	3.2
227.05832	0.7
238.65411	0.6
241.21754	100.0
245.04225	0.9
253.07263	0.7
269.07144	2.6
283.08621	1.3
284.29257	0.6
309.10184	2.1
386.00607	0.7
409.19357	5.3
469.25760	56.0
482.02252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2602
Annotation	Withametelin O
Peak:m/z	Relative Intensity
55.15499	1.6
59.01381	3.7
78.24918	2.0
107.17241	1.8
126.90259	1.7
135.04550	23.2
136.05270	2.1
145.02853	2.4
146.03717	12.1
147.04445	2.3
148.05370	2.1
159.04453	2.5
173.06140	2.8
174.06853	2.4
187.07568	2.0
188.08452	14.7
189.09187	18.6
242.13046	4.2
243.13882	1.9
244.14587	7.6
257.15482	11.0
258.16290	10.2
259.16986	8.1
270.16348	7.2
279.23346	2.8
287.12814	13.0
303.28757	1.8
305.05399	1.8
311.55478	1.9
312.21017	13.8
381.27975	10.6
425.27084	40.9
448.78693	1.9
469.25970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2598
Annotation	Withametelin O
Peak:m/z	Relative Intensity
50.69699	1.0
50.77010	0.9
58.77565	0.9
70.59027	0.9
121.02926	1.3
134.03706	1.4
135.04529	22.5
146.03723	7.2
147.04584	3.5
159.04512	7.3
160.05316	1.9
173.06073	1.7
174.06836	1.2
175.07655	2.0
187.07567	1.2
188.08478	15.1
189.09198	17.7
227.85150	1.1
242.13150	8.2
244.14714	6.2
257.15494	7.2
258.16205	12.2
259.16968	6.7
270.16293	2.6
287.12979	12.1
301.14462	1.6
311.20169	1.4
312.20959	11.2
356.19821	1.6
381.28091	13.6
411.71085	1.4
425.27032	32.6
469.25989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23383	2.8
51.75961	2.3
57.08460	2.5
59.01367	6.4
62.20991	3.1
67.62875	2.7
73.02943	14.7
74.28548	2.7
75.18693	2.8
78.95908	3.5
85.02956	4.9
88.27807	3.1
93.03436	24.4
98.74376	3.6
111.04506	14.7
113.67652	3.5
113.68420	3.4
115.48953	3.2
137.02405	7.8
150.97357	3.3
152.99570	5.0
153.07910	3.2
167.29218	2.9
171.10239	28.9
173.04524	44.1
255.23317	14.7
277.21725	53.0
295.22824	100.0
345.03665	4.0
389.37582	3.2
435.63052	3.8
451.24686	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2812
Annotation	Dendronpholide N
Peak:m/z	Relative Intensity
50.79550	0.8
57.03444	5.8
59.01364	6.7
61.58170	1.0
69.03448	2.1
71.01363	6.0
71.38091	1.0
72.99282	5.2
73.02907	1.3
83.01393	1.3
85.02957	21.2
87.00852	2.5
87.04500	1.7
87.07511	1.2
97.02939	8.1
99.00863	6.4
113.02409	1.8
115.03982	2.6
129.01944	9.5
130.01682	1.2
141.01840	1.4
154.29512	1.2
191.05617	5.1
196.26778	1.3
277.21704	53.2
311.22366	1.2
469.28082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3539
Annotation	Glyceryl tri(2-ethylhexanoate)
Peak:m/z	Relative Intensity
52.19156	0.7
62.64471	0.6
72.95553	0.8
76.30860	0.7
153.12843	45.1
197.11856	60.9
215.12886	60.9
232.38666	0.8
253.21725	9.3
266.39267	1.2
271.22855	18.8
297.71530	0.7
407.35260	1.9
469.35413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49926	2.1
56.88633	2.3
57.66598	2.4
59.01396	2.7
62.72051	2.3
71.01385	2.8
95.24303	2.3
109.02981	2.9
121.02949	2.7
123.00874	25.6
127.77916	2.6
137.02481	5.4
146.03764	3.4
151.00374	13.8
161.06071	16.4
163.00363	100.0
164.04822	4.2
166.99797	19.4
178.02733	18.1
190.02733	26.9
190.05116	39.5
191.03186	16.7
193.05061	57.7
205.05092	30.8
206.05428	29.8
221.00888	3.4
248.05614	32.7
276.05148	11.1
283.50760	3.3
354.06232	23.1
369.08429	4.2
404.90613	2.9
422.09036	5.0
470.10815	12.3
470.17297	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.11
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	2.9
59.01378	10.6
68.72430	2.4
92.09028	2.1
92.22520	2.3
97.61880	2.3
123.04510	19.7
146.06123	3.4
158.06107	12.0
160.01643	4.2
166.02701	2.4
170.06107	4.8
172.07425	2.3
174.05600	13.6
175.03951	3.5
176.07152	9.6
177.99074	4.5
181.05069	29.8
186.05632	9.6
187.04059	2.7
188.07153	3.8
190.02792	4.2
190.99799	2.3
191.03119	3.8
193.01428	27.3
204.06654	4.2
205.05055	11.1
206.02136	2.4
206.05408	7.8
206.08269	3.2
208.03766	2.3
214.05132	13.7
215.05951	3.3
216.06674	100.0
219.80179	2.4
232.21193	2.4
234.07722	7.9
243.05280	2.4
244.06152	64.9
262.07230	60.3
262.42438	2.1
277.70535	2.7
296.46313	2.2
350.06564	4.1
380.11465	7.7
470.17178	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22375	1.3
66.35497	1.3
67.92485	1.0
71.15659	1.2
76.10610	1.2
91.76083	1.4
114.98360	1.5
128.03612	1.4
135.43724	1.4
145.96089	1.5
151.62611	1.3
226.61633	1.4
264.06711	1.9
265.07590	2.8
269.38739	1.4
292.06201	66.8
293.06964	100.0
306.07874	2.7
307.08517	66.2
308.05756	2.8
308.09305	86.5
465.55325	1.3
470.14618	81.1
470.26965	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75668	1.5
68.65797	1.2
82.29392	1.4
101.03763	1.4
102.05622	1.8
106.92331	1.7
108.76279	1.5
109.76237	1.5
113.35764	1.3
128.03516	2.2
134.74080	1.5
139.86052	1.4
153.60780	1.7
244.70958	1.5
264.06741	2.3
265.07474	1.9
292.03354	2.2
292.06195	63.0
292.09543	2.0
293.06973	100.0
306.07776	2.0
307.08514	55.3
308.05746	2.2
308.09329	77.3
470.14667	87.1
470.26978	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09583	0.3
59.01370	0.5
66.38554	0.3
69.95244	0.3
76.26100	0.3
78.95886	0.4
83.84876	0.3
89.02435	0.5
96.95974	0.3
96.96952	1.8
97.70587	0.3
123.86577	0.3
128.03529	100.0
133.05087	0.4
183.50789	0.3
191.05576	2.3
199.92628	0.3
263.36963	0.3
341.10809	1.3
372.13077	0.4
470.15277	5.4
476.99448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54496	0.4
56.01081	0.3
59.01370	0.7
89.02446	0.6
101.02409	0.4
102.04002	0.4
128.03534	100.0
151.28650	0.5
191.05614	1.0
203.50661	0.4
258.71600	0.4
341.10953	2.5
470.15283	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86796	0.8
63.05038	0.9
69.75325	0.9
72.44828	0.7
79.65643	0.8
83.46881	0.8
84.04570	0.9
88.87585	1.3
101.02435	5.1
102.05607	100.0
102.73378	1.0
114.05572	1.7
131.04590	1.1
144.06583	1.4
149.02496	1.9
152.01158	1.8
154.97362	0.9
161.37421	1.0
164.04768	10.8
174.07715	4.5
179.07167	10.4
186.07684	1.3
190.02696	3.8
195.06818	1.0
205.05031	11.2
206.05910	7.2
208.03780	28.9
221.08110	4.2
223.06129	66.3
228.46236	1.0
229.56679	1.0
236.70309	1.0
246.18025	1.0
250.04884	3.9
251.49469	1.0
265.07156	19.8
280.05832	1.8
295.08237	60.6
351.83340	1.0
386.85870	1.0
444.70840	1.2
470.16656	5.2
476.55301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91930	0.7
55.05333	0.8
56.76829	0.8
56.93186	0.8
58.80842	0.9
71.01361	1.2
71.42534	0.8
73.02940	1.3
85.21896	0.9
88.98778	1.3
92.23138	1.1
92.69856	0.8
101.02445	6.7
102.05599	100.0
114.05592	1.1
116.04256	0.9
164.04782	12.2
174.07706	4.6
179.07140	11.2
180.04073	0.9
190.02711	2.0
195.06732	1.1
205.05049	8.1
206.05856	7.9
207.02965	2.2
207.15094	0.9
208.03767	30.9
220.86668	1.1
221.08229	5.1
223.06111	61.1
250.04906	1.0
265.07169	18.6
266.11832	1.0
280.05838	1.6
295.08224	56.1
470.16650	4.9
490.11520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61641	0.7
59.01386	1.3
61.98833	100.0
83.22472	0.9
85.84758	0.8
108.64290	0.9
113.81297	1.0
119.35983	0.8
129.75464	0.9
162.06406	0.9
167.53876	0.8
170.07893	1.0
171.51949	0.9
182.44705	1.0
194.08322	1.4
470.26987	1.4
473.77298	1.1
494.60397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06656	1.0
61.09706	0.8
75.42579	0.9
78.01294	0.9
83.05009	5.8
109.06524	1.2
111.08147	100.0
121.80080	1.0
129.09206	2.3
140.26604	1.4
154.96437	1.0
155.07182	1.6
173.08188	88.1
226.44806	1.1
256.23615	1.6
269.35400	1.2
294.24515	1.3
314.62057	1.0
394.45575	1.5
454.51044	1.2
470.34891	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
62.17693	0.8
65.81595	0.8
78.44713	0.8
83.05008	4.7
95.96679	0.9
109.06596	1.9
111.08144	100.0
115.66190	0.8
129.09192	3.9
140.98117	0.7
173.08180	76.7
255.23233	1.5
256.23703	2.0
256.59784	0.8
333.22812	1.0
452.24924	1.0
470.34909	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98138	0.3
71.01377	0.4
74.03357	0.4
92.94102	0.3
97.96654	0.4
99.92605	3.7
100.93356	0.4
116.92853	100.0
119.50832	0.4
122.18261	0.3
123.73414	0.3
134.03740	0.4
135.04533	0.6
141.32417	0.4
173.04529	0.8
177.05608	0.8
179.03517	1.6
191.05640	1.4
193.05043	1.5
221.04599	0.7
244.95538	0.8
262.96677	0.5
265.76974	0.5
270.37094	0.4
353.08884	1.9
387.76111	0.4
391.01315	7.4
411.18518	0.5
453.01471	1.6
471.14844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24983	0.6
72.99306	31.2
76.45179	0.7
78.95278	0.7
78.95424	0.9
78.95897	12.0
89.02459	1.4
110.97579	5.9
110.98517	12.7
112.69202	0.7
117.41807	0.7
123.04514	8.2
126.34062	0.8
135.04509	7.0
165.12903	0.9
179.03506	30.4
191.05658	1.0
197.04562	100.0
203.04866	0.7
219.80469	0.7
313.11618	1.1
359.09879	83.6
366.95813	0.8
471.09021	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Clofazimine
Peak:m/z	Relative Intensity
59.01361	0.8
67.01855	1.7
71.01353	1.0
72.99304	67.5
76.35048	0.9
85.02942	4.2
92.22500	1.8
107.05032	1.0
111.00869	73.7
123.04535	15.1
125.80900	0.9
128.48523	1.0
134.03731	1.0
135.04526	19.1
138.61784	0.9
144.17357	0.9
151.04041	1.1
179.01918	1.5
179.03508	66.3
197.04558	100.0
269.10226	1.1
300.23526	1.0
359.09897	56.7
471.11423	70.4
495.25162	1.1
499.62595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52805	1.1
59.01382	1.4
71.01379	47.9
77.38708	1.2
97.64780	1.2
97.92607	1.7
102.05601	14.2
103.05948	1.8
113.29823	1.4
115.00357	100.0
119.04999	1.3
131.04613	4.8
134.03746	16.5
143.96385	1.2
145.02962	8.4
149.06075	15.2
153.58533	1.2
163.03975	5.3
178.02740	19.7
179.48514	1.4
189.19492	1.5
193.05069	84.8
208.03743	1.9
209.04041	1.9
223.06224	2.4
224.06464	5.5
295.08118	5.4
296.08612	7.6
348.47836	1.4
355.10345	20.8
385.75806	1.5
471.15335	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30117	0.4
63.33259	0.4
67.01890	2.1
72.99301	53.9
75.52436	0.4
97.11562	0.4
109.02936	0.6
111.00873	46.6
122.03800	0.5
123.04507	13.4
134.03729	1.9
135.04518	17.6
149.06093	0.9
150.03168	0.6
151.04028	0.6
165.05547	2.6
178.02660	0.7
179.03503	55.7
193.05063	6.6
197.04564	100.0
211.06125	12.3
226.44844	0.5
299.02533	0.6
342.72128	0.5
359.09875	81.8
373.11365	2.5
429.43658	0.5
453.09323	0.5
471.10660	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84088	0.7
58.64568	0.7
59.01385	1.1
59.23340	0.7
60.15223	0.7
63.76733	0.8
68.99030	1.0
71.01377	50.0
76.51335	0.9
91.06238	1.0
105.16217	0.8
115.00359	100.0
130.75780	1.1
134.03735	20.5
136.01604	1.1
149.06085	24.7
151.03998	5.1
178.02715	26.4
178.54277	0.9
191.65253	0.9
193.05066	99.7
232.59616	1.0
263.56787	1.0
355.10379	31.8
359.68234	1.0
374.95294	1.0
467.99979	1.1
471.15076	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26241	0.7
53.80540	0.8
65.85638	0.8
67.01895	1.7
72.99302	48.0
83.47401	0.8
102.11116	1.1
103.27791	0.8
104.75057	0.8
111.00876	45.5
121.14941	0.8
123.04510	13.0
135.04532	16.6
172.78177	1.0
178.51735	1.0
179.03508	44.8
193.05138	1.3
197.04572	100.0
211.06067	6.3
232.95747	1.0
242.99681	1.1
359.09860	71.2
471.11188	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51174	0.4
56.44813	0.5
60.11536	0.5
67.01889	1.1
72.99304	47.5
78.23468	0.5
85.56448	0.5
86.26933	0.5
88.20079	0.4
89.02467	0.6
89.57294	0.5
111.00876	47.3
114.66680	0.5
123.04510	11.2
135.04526	12.8
169.73538	0.6
179.03511	54.9
197.04568	100.0
239.56377	0.6
277.92886	0.7
359.09882	81.1
401.39194	0.5
435.00232	0.6
471.11389	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1305
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
55.92244	0.4
59.01382	5.7
69.74204	0.5
71.01389	1.0
85.02914	0.6
87.19614	0.5
89.02429	0.5
93.03419	0.5
101.02425	0.9
113.02429	2.5
117.03473	7.9
119.05019	12.7
137.09671	0.5
137.18475	0.5
145.02957	100.0
159.04549	0.9
161.06096	4.2
163.04022	18.3
171.10252	0.5
177.05597	1.2
187.04041	3.3
205.05080	2.8
222.80882	0.5
235.06146	0.7
244.37978	0.5
247.05988	0.6
265.07193	2.8
307.08264	8.0
405.22418	0.5
411.10867	1.0
471.12976	32.7
471.20425	1.9
471.22360	1.8
487.83994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.22788	0.4
59.01371	0.5
67.01897	1.2
68.77811	0.5
80.89678	0.4
85.02954	0.9
87.00867	8.3
111.00875	100.0
129.01999	0.7
141.54941	0.5
167.03477	0.7
173.00909	9.9
192.75153	0.5
293.22583	0.5
338.36945	0.5
471.13602	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47935	0.9
59.01385	15.7
60.39487	0.8
71.01379	10.2
81.08060	1.0
85.02911	1.6
89.02441	11.4
97.56689	1.2
101.02444	8.6
113.02422	5.4
115.03974	1.9
117.03491	1.4
119.03481	6.6
134.03740	26.4
135.04514	1.4
148.05205	1.6
148.84763	1.2
149.05060	1.3
149.06094	11.9
151.04041	1.3
158.03676	1.5
160.01640	11.1
161.02422	16.8
173.06062	1.4
175.04004	38.1
176.04779	23.6
178.02747	5.0
191.07159	60.3
192.04243	4.7
193.05063	73.1
207.06622	19.5
220.03796	4.4
235.06139	86.5
265.07077	10.0
295.08206	10.3
295.10587	8.8
351.47098	1.4
355.10324	5.7
453.14203	2.0
471.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.8
59.01388	45.8
60.32736	2.1
64.98148	1.9
142.98843	2.3
171.25417	2.6
204.04291	38.9
219.06650	70.6
234.05330	2.8
249.05136	4.4
249.07698	100.0
316.43335	2.6
365.70493	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47935	0.9
59.01385	15.7
60.39487	0.8
71.01379	10.2
81.08060	1.0
85.02911	1.6
89.02441	11.4
97.56689	1.2
101.02444	8.6
113.02422	5.4
115.03974	1.9
117.03491	1.4
119.03481	6.6
134.03740	26.4
135.04514	1.4
148.05205	1.6
148.84763	1.2
149.05060	1.3
149.06094	11.9
151.04041	1.3
158.03676	1.5
160.01640	11.1
161.02422	16.8
173.06062	1.4
175.04004	38.1
176.04779	23.6
178.02747	5.0
191.07159	60.3
192.04243	4.7
193.05063	73.1
207.06622	19.5
220.03796	4.4
235.06139	86.5
265.07077	10.0
295.08206	10.3
295.10587	8.8
351.47098	1.4
355.10324	5.7
453.14203	2.0
471.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
61.71794	0.9
71.01377	5.1
71.05109	1.0
84.36508	1.0
91.02046	0.9
94.36952	1.0
99.04541	1.5
101.02479	1.9
113.02469	1.3
115.03999	1.6
125.54947	1.0
149.02419	1.6
150.03232	9.1
165.05626	1.4
166.02719	9.5
176.01151	38.7
181.05063	27.1
191.03526	84.3
194.02190	1.7
195.02980	3.8
196.03764	5.1
197.88316	1.2
209.04596	6.3
211.06128	16.6
225.46935	1.2
266.85419	1.1
451.28345	1.4
471.15192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60850	0.6
59.01384	50.8
67.65481	0.7
84.47067	0.8
94.05356	0.7
128.39348	0.8
190.06367	1.2
196.80928	0.9
204.04283	48.0
205.08702	0.9
219.06651	83.7
224.15834	0.8
249.07713	100.0
319.66962	0.8
368.70053	1.0
411.13007	1.3
411.18930	1.2
471.15491	1.7
485.38007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.1
63.97014	0.6
70.47836	0.6
70.99792	0.5
71.01374	7.0
83.01402	1.0
85.02934	2.6
89.02451	6.8
94.84679	0.6
97.02949	5.2
101.02412	5.7
102.05595	3.6
108.02163	4.9
113.02427	2.5
113.06055	0.7
113.08699	0.6
115.04003	17.6
119.03484	3.2
123.00898	1.2
123.04537	5.2
124.01635	1.5
137.06110	3.0
150.03223	13.0
151.04063	0.7
165.05556	3.2
177.01927	0.9
178.02716	62.5
179.05643	0.7
193.05070	100.0
208.03745	0.8
211.06197	0.6
223.06110	1.2
223.77414	0.8
224.06601	1.1
224.08865	0.6
266.07605	0.8
278.98309	0.7
295.08337	0.8
296.05640	0.7
296.08722	2.6
328.72061	0.8
345.93781	0.9
373.11450	10.1
384.32928	0.7
471.15234	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.1
59.01632	1.6
62.26315	1.2
71.01373	6.0
75.72712	1.3
85.02906	1.8
89.02435	8.2
92.22460	1.5
101.02428	5.1
103.03907	1.4
104.92642	1.2
113.02445	3.1
119.03478	2.6
133.29099	1.3
134.03798	1.6
149.02451	8.1
150.03232	2.0
153.01852	1.2
164.04779	17.5
175.00429	2.2
176.01193	9.9
179.07155	5.3
185.07419	1.5
188.04784	1.3
190.02728	42.3
191.03532	16.3
191.07182	1.8
193.05096	5.2
194.02255	1.7
203.07289	1.7
205.05074	81.2
206.05820	12.0
221.08253	22.3
223.06157	25.5
237.07713	7.5
245.60553	1.3
247.33652	1.4
250.04913	5.1
265.07126	34.2
295.08224	7.0
325.09354	6.7
397.03394	1.2
427.16623	1.7
471.15173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86446	0.6
59.01374	1.6
63.08702	0.7
66.45185	0.8
71.01363	1.4
72.99300	1.1
79.88083	0.8
97.02972	1.9
101.02409	1.3
111.00916	1.3
115.03959	6.8
147.19710	0.8
150.03212	6.6
157.76477	1.0
165.05519	1.5
166.01395	1.0
166.02702	28.9
176.01141	25.0
178.02750	1.3
179.03348	0.9
181.05072	95.1
191.03523	44.3
191.04900	0.9
193.05077	3.9
194.02174	1.9
195.03122	1.3
196.03783	17.3
197.04555	4.5
207.84207	0.9
209.04514	3.7
210.05235	1.2
211.06136	52.7
236.06996	0.9
313.69440	0.9
317.04166	0.9
359.09851	2.0
373.11334	5.3
452.75385	1.0
471.15158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21571	0.7
55.65090	0.6
58.25725	0.7
59.01368	0.8
60.34908	0.7
66.72940	0.7
71.01389	0.7
73.02930	2.9
81.78177	0.6
85.02959	4.4
93.03452	7.7
101.02451	1.2
111.00879	1.4
111.04501	7.2
116.07145	1.0
124.28622	0.8
128.03558	5.5
129.01921	0.9
129.03873	1.3
135.03020	0.8
137.02434	3.7
143.03465	1.1
150.26505	0.7
155.03540	1.7
173.04530	22.0
173.05920	1.3
180.06705	7.3
191.05624	100.0
192.05959	3.7
252.08722	1.5
288.08704	0.7
297.11917	1.5
372.37717	0.8
471.17697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10356	0.5
57.67352	0.4
73.02939	0.6
78.64468	0.5
79.23865	0.5
85.02947	3.4
93.03457	2.4
111.00871	0.6
111.04546	1.1
173.04514	5.2
191.05629	100.0
205.25285	0.5
218.70657	0.5
225.86810	0.6
244.23209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05809	0.5
68.90678	0.6
71.01388	0.7
85.02949	3.8
87.00892	0.8
89.02409	1.1
101.02406	0.7
110.59740	0.6
111.00896	8.1
127.04041	0.9
127.05096	1.2
128.03510	4.0
136.37344	0.7
148.84084	0.7
149.02448	0.8
159.83833	0.6
180.06703	1.5
191.05627	100.0
192.06004	0.8
193.01445	0.7
197.04665	2.5
204.34686	0.7
220.66086	0.6
263.99863	0.6
303.11777	0.6
309.10809	1.1
347.05554	0.6
359.09982	0.8
371.31595	0.7
425.16470	0.9
471.13940	1.1
472.07013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16941	0.5
54.02160	0.5
54.36957	0.5
57.03452	1.0
59.01391	1.0
66.82115	0.5
67.01880	0.9
70.21475	0.6
71.01382	0.7
85.02957	3.1
87.00867	9.8
89.02454	0.9
92.23323	0.8
95.17159	0.6
97.89191	0.6
101.02409	0.7
102.30758	0.6
111.00877	100.0
111.04494	0.8
113.02457	1.0
116.81056	0.7
127.03999	0.9
128.03514	5.1
129.01897	0.8
173.00920	10.3
173.02266	0.9
180.06665	2.8
184.55533	0.7
191.05632	68.6
207.55473	0.8
309.10791	1.4
381.85452	0.8
405.87244	0.7
471.13565	29.8
480.63837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01373	19.6
85.02951	1.5
87.00887	0.9
89.01879	1.3
89.02435	30.9
95.01360	1.3
101.02452	12.9
113.02444	10.4
119.03484	13.3
135.87602	0.8
143.03458	3.5
161.04584	7.8
177.80527	0.9
179.05611	31.6
212.74251	1.0
219.13841	1.9
232.00246	0.9
245.22263	0.9
270.01962	1.1
393.19278	1.9
406.80713	0.9
419.46646	1.0
431.62988	1.1
454.86075	1.0
471.19043	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.6
59.01380	100.0
63.35220	1.5
65.03497	1.7
71.01375	9.3
85.02950	2.8
86.07207	1.6
89.02447	4.2
90.17240	1.6
97.06584	2.0
101.02418	3.8
113.02436	6.8
115.04010	1.7
119.03515	1.8
161.13396	13.2
162.49844	1.6
178.62852	1.7
185.13489	2.6
187.11290	33.2
190.02707	3.2
203.14427	2.4
205.12349	42.9
229.12314	3.4
249.11255	10.3
309.13449	51.7
352.14059	2.1
381.53973	1.8
411.16547	8.9
440.55392	1.9
469.56070	1.7
470.63373	1.9
471.18399	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40444	0.7
55.73338	0.8
59.01384	100.0
71.01383	11.2
73.02942	0.8
73.55550	0.8
75.00872	0.8
85.02959	1.8
89.02441	11.5
92.22626	0.8
95.05039	1.0
95.21501	0.9
101.02435	6.4
105.00211	0.8
113.02470	7.9
117.05693	0.8
119.03462	4.1
120.05791	0.9
128.38330	0.8
151.91068	0.8
159.08130	3.6
159.11816	1.7
161.04520	1.8
161.13379	18.8
185.09753	1.0
185.13330	1.2
187.11298	39.9
205.10522	1.7
205.12357	38.6
205.14299	1.3
229.12309	9.8
247.13361	1.4
249.11346	9.5
265.14548	4.9
291.12366	1.5
309.13449	49.2
411.16672	4.5
471.18732	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40444	0.7
55.73338	0.8
59.01384	100.0
71.01383	11.2
73.02942	0.8
73.55550	0.8
75.00872	0.8
85.02959	1.8
89.02441	11.5
92.22626	0.8
95.05039	1.0
95.21501	0.9
101.02435	6.4
105.00211	0.8
113.02470	7.9
117.05693	0.8
119.03462	4.1
120.05791	0.9
128.38330	0.8
151.91068	0.8
159.08130	3.6
159.11816	1.7
161.04520	1.8
161.13379	18.8
185.09753	1.0
185.13330	1.2
187.11298	39.9
205.10522	1.7
205.12357	38.6
205.14299	1.3
229.12309	9.8
247.13361	1.4
249.11346	9.5
265.14548	4.9
291.12366	1.5
309.13449	49.2
411.16672	4.5
471.18732	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01390	7.1
79.19990	0.8
83.01363	0.8
85.02934	1.5
88.62948	0.7
89.02446	8.9
90.93163	0.8
95.01345	1.0
101.02442	4.8
101.52312	0.7
113.02422	6.2
119.03516	3.7
120.05763	0.9
120.89182	0.9
121.68745	0.9
139.07991	0.9
157.06544	0.9
159.08199	1.1
159.11807	1.5
161.04695	0.9
161.13356	13.6
162.10591	0.8
181.24992	0.9
187.11296	34.2
205.12347	50.4
229.12357	5.1
247.13383	1.6
249.11446	8.5
265.14471	4.1
291.12585	1.1
309.13495	56.6
312.94873	0.8
351.14609	1.0
352.14178	2.1
411.16605	4.2
471.18710	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40444	0.7
55.73338	0.8
59.01384	100.0
71.01383	11.2
73.02942	0.8
73.55550	0.8
75.00872	0.8
85.02959	1.8
89.02441	11.5
92.22626	0.8
95.05039	1.0
95.21501	0.9
101.02435	6.4
105.00211	0.8
113.02470	7.9
117.05693	0.8
119.03462	4.1
120.05791	0.9
128.38330	0.8
151.91068	0.8
159.08130	3.6
159.11816	1.7
161.04520	1.8
161.13379	18.8
185.09753	1.0
185.13330	1.2
187.11298	39.9
205.10522	1.7
205.12357	38.6
205.14299	1.3
229.12309	9.8
247.13361	1.4
249.11346	9.5
265.14548	4.9
291.12366	1.5
309.13449	49.2
411.16672	4.5
471.18732	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96235	1.1
52.14207	1.1
54.04809	1.2
54.81158	1.2
57.31894	1.0
59.01380	24.3
71.01375	19.9
73.02939	9.4
83.01385	5.5
85.02941	8.9
87.14583	1.2
89.02430	7.5
97.06503	1.1
98.27599	1.3
99.00891	1.8
101.02449	32.1
103.04009	3.0
113.02467	10.9
115.04028	1.4
119.03487	2.2
125.02425	3.2
143.03513	2.4
158.48442	1.3
159.03008	2.3
161.04549	10.0
163.06190	2.6
265.12921	13.7
338.13922	1.5
411.18750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09452	0.8
53.51382	0.8
57.36824	0.8
59.01380	19.7
70.24953	1.0
71.01377	31.5
72.99305	1.1
73.02937	13.6
74.54208	1.0
83.01384	5.6
85.02943	10.7
89.02440	11.9
97.02923	1.4
99.00869	5.5
101.02437	42.6
105.51525	0.9
111.00892	2.1
113.02440	25.1
119.03491	5.4
131.05067	1.4
143.03488	1.7
159.02989	5.8
161.04568	23.2
167.03479	1.6
191.34610	1.0
193.05144	1.0
197.85706	0.9
279.14517	30.8
293.08810	1.1
315.10834	2.0
411.18753	100.0
471.15070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.3
60.90061	0.9
71.01379	23.9
71.01772	0.9
73.02947	8.1
73.86102	0.8
74.17576	0.8
79.67178	0.8
80.37824	1.0
83.01382	1.0
85.02934	4.0
89.02435	35.8
92.22523	1.1
95.01390	1.4
99.00871	31.2
101.02428	17.8
113.02441	20.3
119.03482	10.1
131.03487	4.1
149.04587	4.7
161.04565	3.6
190.02776	1.2
191.05603	6.4
205.05147	1.1
211.21100	1.1
211.77582	0.8
339.18219	4.4
395.35211	1.0
471.22498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03802	1.0
52.28690	1.0
59.01383	100.0
67.62688	1.3
71.01382	21.4
72.41913	1.3
72.99282	1.6
78.95918	4.9
85.02946	1.9
89.02432	25.3
101.02441	13.5
108.41970	1.3
113.02420	13.5
115.04005	1.7
119.03442	11.1
134.03778	1.6
152.04877	1.7
167.07133	3.0
179.05678	2.4
188.83450	1.4
272.53494	1.5
381.19266	37.7
393.19257	36.6
471.21811	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	84.6
71.01339	1.5
92.22530	1.7
95.47980	1.6
99.59335	1.7
109.06606	1.6
121.67566	1.6
122.78568	2.1
123.08224	2.3
137.08269	1.5
138.07684	1.6
149.09726	6.5
151.07672	6.4
161.04556	2.1
166.53163	1.7
181.18443	1.7
187.11266	13.8
189.12923	2.9
201.12872	15.8
203.14456	9.2
205.12312	24.0
213.12914	2.8
219.13913	100.0
231.13904	87.0
249.15009	34.9
381.19312	18.3
393.18890	2.5
411.19806	2.0
471.22305	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83302	1.2
52.49216	1.2
59.01381	64.9
61.98812	1.6
71.01378	48.3
73.02939	26.5
75.43307	1.2
83.01405	2.6
85.02946	13.7
89.02440	91.0
95.01354	1.9
96.96003	2.6
97.28112	1.2
99.00873	100.0
101.02439	33.0
113.02444	40.1
119.03456	5.5
128.67084	1.3
131.03494	22.6
143.03429	1.5
149.04544	54.5
161.04552	13.4
179.32098	1.2
191.02975	1.6
191.05617	32.6
233.06720	17.2
293.08777	10.7
339.18228	2.8
386.41864	1.4
471.22690	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Linagliptin
Peak:m/z	Relative Intensity
59.01379	95.9
63.98516	1.5
65.90491	1.5
71.01006	3.5
71.01376	66.1
73.02941	14.2
73.40963	1.5
85.02940	10.4
87.00881	1.9
87.47776	1.4
89.02438	100.0
95.01403	2.3
96.95988	2.3
99.00871	13.8
100.33993	2.1
101.02430	40.7
111.08147	7.8
113.02441	27.3
119.03532	20.0
131.03477	22.4
149.04539	31.0
161.04523	4.1
179.05606	12.0
191.05658	10.8
197.11800	3.3
254.17578	3.6
286.70438	1.8
339.18121	18.6
371.46713	1.8
471.12000	2.3
471.22345	72.1
471.27768	6.1
484.64261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15721	1.1
51.63906	1.1
52.32822	1.3
59.01381	100.0
70.50174	1.3
71.01370	5.4
73.02947	2.3
85.02920	1.4
87.00853	2.0
89.20274	1.2
92.23029	1.5
101.02435	6.2
106.48247	1.4
113.02464	1.9
125.09655	1.8
125.82130	1.5
161.04520	2.2
171.10249	3.1
187.09662	2.5
202.94626	1.3
251.16695	1.8
291.19751	6.8
296.50681	1.4
309.20737	8.2
381.22958	2.8
411.24130	1.8
471.26892	12.1
473.08264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96494	1.4
59.01384	84.7
60.62471	1.1
70.92774	1.1
71.01379	39.5
73.02939	3.1
78.72414	1.5
83.01373	2.1
85.02956	7.8
87.00888	1.4
89.02439	48.1
96.72046	1.4
97.02918	1.8
101.02444	30.7
113.02453	18.5
115.03979	2.6
119.03485	13.7
132.43712	1.5
166.64334	1.4
179.05635	2.3
190.02664	5.5
191.03104	3.1
192.03275	2.6
193.12421	3.2
205.05093	9.4
206.05434	2.9
207.05614	6.0
221.50020	1.5
285.40710	1.4
373.18713	100.0
471.16708	16.4
471.22720	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2755
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
56.53241	1.0
60.51474	1.0
61.78551	1.3
66.96637	1.1
67.63232	1.0
72.99312	8.1
78.36394	1.3
93.35686	1.3
110.07168	1.3
116.80114	1.5
116.92925	1.3
127.06125	1.5
135.04584	2.1
150.03247	2.2
164.04834	2.1
165.05577	2.2
174.03053	1.4
176.04803	2.0
187.82523	1.4
188.08440	2.2
190.06360	3.2
196.89212	1.3
201.09320	2.8
203.07263	2.7
212.74074	1.5
216.08003	8.3
218.09518	52.6
218.11508	2.3
243.17723	1.9
264.14029	1.5
269.15585	8.3
271.17175	8.3
272.14404	7.3
285.15030	6.4
287.16592	28.9
293.89987	1.3
391.26279	1.9
425.27097	22.6
427.28809	8.7
465.57025	1.4
471.27832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.276
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
56.27635	1.8
59.01386	2.8
63.76626	1.9
67.76270	2.0
75.86060	1.6
75.95854	1.9
95.53528	2.1
98.22338	1.8
100.09856	1.8
121.16335	1.9
135.04556	3.4
140.74635	2.3
146.85396	2.0
149.06085	2.8
159.04507	4.1
160.84206	2.2
161.06036	2.6
171.10327	2.1
173.06067	5.0
186.06879	12.6
187.07677	3.7
188.08484	2.0
200.08447	15.9
201.09265	22.3
202.10048	3.9
213.09309	2.7
215.10823	3.4
217.12329	12.5
228.11635	2.8
232.10966	3.5
256.14810	17.9
270.16330	11.0
270.68079	2.2
283.17026	10.8
290.15250	5.0
301.14337	2.5
301.18115	3.5
317.13885	2.6
318.18372	11.2
336.62115	2.4
339.23398	11.1
358.21542	37.9
427.28586	100.0
442.18207	2.2
471.05396	2.8
471.28094	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2758
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
53.75304	1.9
60.00851	1.6
62.31337	1.8
62.44678	1.8
79.02762	1.8
85.71367	1.8
137.42546	2.0
166.29956	2.0
187.61266	2.1
201.09128	3.0
202.10022	13.2
213.09511	2.4
215.10739	8.7
217.12352	4.5
228.11632	4.9
270.16290	47.3
282.16376	3.0
309.18616	2.3
324.20966	100.0
339.23291	79.1
340.20413	8.2
351.23346	3.6
409.27371	8.5
425.26700	3.3
427.28601	85.7
471.27676	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12824	0.8
50.72550	0.7
51.65554	0.7
56.15850	0.8
59.01376	1.4
60.36229	0.7
67.70713	0.7
78.39098	0.9
107.05016	29.3
121.02966	1.2
151.03983	6.1
172.96487	0.8
277.21735	100.0
280.05731	1.0
383.33279	2.1
409.31165	1.4
427.32236	1.1
471.31036	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43819	0.6
63.98855	0.6
65.81080	0.5
68.89920	0.6
70.25884	0.6
75.00893	0.7
78.26518	0.6
83.59685	0.6
85.30247	0.7
92.23089	1.1
109.60452	0.6
183.47165	0.7
202.48906	0.7
229.90237	0.7
255.23312	100.0
265.64612	0.8
299.88400	0.8
471.29938	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.57333	1.3
68.88772	1.2
69.03461	2.0
97.12124	1.2
109.06582	59.0
116.45464	1.4
160.01648	1.9
175.03979	9.3
315.27011	2.8
355.30142	47.0
383.33203	19.2
409.31024	14.4
420.39099	2.0
427.32318	33.9
445.05988	1.5
471.31348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3134
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
50.47390	0.8
56.00737	0.8
56.30288	0.9
59.18407	0.8
60.27626	0.8
60.43369	0.9
66.77902	1.0
67.43389	0.8
69.03459	5.6
69.15151	1.1
78.17051	0.9
81.92023	1.0
81.94826	0.9
94.08711	1.0
107.05015	1.6
109.06585	74.7
115.18811	1.2
121.04593	1.0
124.19318	1.0
160.01572	1.4
175.04066	4.9
183.97260	1.2
315.27002	4.0
352.60831	1.1
355.30090	53.8
367.22766	1.2
381.31891	1.1
383.33206	22.5
409.31186	14.2
427.32202	38.8
427.37732	1.5
453.34195	2.3
471.31351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21026	0.2
84.92748	0.2
86.08161	0.3
103.41440	0.2
130.74380	0.2
149.05989	0.4
160.05229	0.4
175.94658	0.2
201.09142	0.4
202.10020	1.3
217.12317	0.4
239.61778	0.3
253.21811	0.6
269.15503	0.3
271.17133	0.3
272.14029	0.3
287.16586	1.0
297.24365	0.3
369.10950	0.3
409.27567	0.3
427.28336	3.1
458.78885	0.3
471.34808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.60786	0.2
57.51855	0.2
59.01404	0.2
60.05675	0.2
61.19914	0.2
75.09273	0.3
78.22878	0.3
82.68600	0.2
85.51752	0.2
112.48640	0.3
120.77435	0.2
146.53177	0.3
159.41582	0.3
220.85812	0.3
411.16956	0.6
423.33008	0.4
425.26773	0.6
427.28671	0.4
471.34811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Hispidone
Peak:m/z	Relative Intensity
56.41694	0.4
58.28551	0.4
68.00101	0.6
92.05341	0.5
104.33041	0.6
144.50847	0.6
157.02483	0.5
168.98543	0.5
179.03416	0.6
218.09486	2.6
228.11711	0.7
245.37241	0.5
256.10959	2.0
265.51788	0.7
271.16913	1.0
287.16687	0.9
299.16647	6.1
367.62097	0.5
405.31967	0.9
407.33173	2.9
425.26688	0.5
426.88837	0.6
427.28436	2.5
451.32239	5.1
453.33795	16.5
471.27686	10.4
471.34760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.18875	0.2
56.20937	0.2
58.77229	0.2
59.01375	0.3
68.53934	0.2
68.80232	0.2
75.83595	0.2
78.28409	0.2
79.90157	0.2
81.08977	0.2
88.64764	0.3
89.63802	0.3
144.72112	0.3
148.67632	0.3
164.04785	0.3
164.73335	0.3
166.83383	0.3
167.01215	0.4
181.52481	0.2
287.16418	0.3
303.23315	1.7
393.31387	0.3
427.28564	1.2
454.96997	0.3
471.34821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37446	0.5
59.43050	0.5
76.22253	0.6
93.03448	9.7
116.36112	0.6
120.80337	0.5
149.30908	0.6
159.43408	0.6
172.04030	16.8
173.04816	5.4
194.00111	0.7
197.93663	0.6
220.16512	0.7
237.07779	1.0
265.07416	8.2
266.08237	100.0
302.65750	0.6
310.07129	0.8
360.10068	1.2
428.13309	3.6
472.12512	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18053	0.6
77.70314	0.8
87.21240	0.7
93.03439	8.7
96.25954	0.8
103.27107	0.8
115.00382	1.2
133.01437	2.9
137.19125	0.8
145.34319	0.7
160.04057	1.4
172.04053	17.3
173.04790	7.6
194.89294	0.7
237.07834	1.0
265.07483	8.2
266.08243	100.0
268.09753	6.2
274.40381	0.9
310.07394	1.2
428.13458	3.2
458.18378	0.7
472.12485	57.5
492.80817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29400	0.4
58.91100	0.4
59.01380	0.7
59.15443	0.4
64.76769	0.4
65.56129	0.5
66.18349	0.4
83.03294	0.5
85.02940	2.9
87.00864	0.5
88.03987	0.5
93.03470	0.8
99.45541	0.5
101.02406	0.6
111.04510	0.6
118.05096	2.8
127.03996	1.0
173.04564	2.5
191.05635	100.0
192.05933	3.5
280.06671	1.0
285.92865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53560	0.3
56.91562	0.4
59.01381	2.4
60.00110	0.4
60.89380	0.3
68.03214	0.4
71.01376	0.9
73.02962	0.6
85.02932	2.8
86.78055	0.4
87.00837	0.6
89.02438	1.7
93.03450	1.8
99.00855	0.5
101.02438	2.1
105.14983	0.5
111.04501	0.9
115.32838	0.5
119.03516	0.4
127.04031	0.7
127.41100	0.4
130.08740	4.8
137.02431	0.4
153.09724	0.5
170.69415	0.4
173.04527	2.7
179.05626	0.5
191.05630	100.0
192.05989	4.1
243.42290	0.4
280.06769	0.6
292.14096	0.6
293.02777	0.5
298.13187	0.5
304.85645	0.4
341.10898	1.7
453.09039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90602	0.6
59.01380	9.8
60.01698	0.6
61.98833	100.0
71.01396	0.6
71.78577	0.6
76.02134	0.5
89.02465	0.9
90.02086	0.7
136.25912	0.7
142.53606	0.7
145.02966	0.9
175.78700	0.7
187.11270	0.8
188.11664	1.1
205.12415	0.9
206.12721	1.5
224.69453	0.7
262.24338	0.7
310.13724	4.3
470.88550	0.7
472.19125	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97964	1.9
59.01100	3.6
59.01384	74.0
71.01382	40.4
74.02477	56.6
81.70248	2.2
82.44798	2.1
85.02945	11.7
87.00900	3.9
89.02438	70.1
89.67368	2.1
97.02931	2.9
101.02447	22.1
109.71606	2.3
113.02437	16.1
115.04007	23.1
119.03498	27.9
143.03497	2.3
161.04593	5.4
173.04546	3.5
179.05624	38.3
191.05634	100.0
192.05934	4.6
193.06134	2.2
194.06517	5.0
194.08243	85.5
289.72690	2.5
357.46405	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
59.74815	0.3
60.82859	0.4
61.98832	100.0
64.41148	0.3
74.69128	0.4
83.09570	0.4
85.36442	0.4
236.76976	0.4
258.09293	0.4
280.50443	0.4
290.05014	0.5
347.37524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56339	5.6
53.97332	4.9
59.01382	10.7
65.28352	5.2
65.57027	5.9
71.01414	6.9
104.48755	5.8
112.97860	6.4
140.92949	6.2
141.83218	5.7
164.04688	8.0
190.02745	26.6
191.03078	25.0
205.05072	34.7
206.05383	37.2
466.87225	7.3
472.18582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49408	10.2
53.74463	11.0
53.98073	10.6
55.36666	10.6
57.33042	11.6
59.01374	15.6
71.68954	10.2
84.75114	11.8
91.84464	10.0
93.22099	10.2
101.02479	14.4
104.37859	11.7
113.02420	14.3
118.35553	14.6
156.80260	13.4
219.13908	15.5
233.87285	13.1
331.17642	90.4
472.22073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21469	1.1
61.98832	6.2
62.80677	1.0
78.95901	31.7
96.96947	2.1
110.60152	1.1
152.99588	100.0
168.30492	1.3
171.00667	1.5
249.38791	1.7
255.23331	4.8
409.23697	51.2
426.27313	6.1
428.28882	2.2
472.28537	11.9
472.34286	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76128	0.6
57.03448	1.4
57.49492	0.6
82.37000	0.8
87.00866	44.5
95.04981	1.3
96.04522	1.1
109.28556	0.7
112.04050	9.3
138.05609	3.9
156.06688	3.5
157.32515	0.7
158.04575	5.2
202.51711	0.8
238.38155	0.7
271.20755	1.1
287.23804	9.2
338.87689	0.8
366.28204	1.3
368.22382	11.4
410.26993	6.8
428.28009	1.7
454.26212	7.0
472.27087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3434
Annotation	Puqienine F
Peak:m/z	Relative Intensity
68.32685	0.7
69.26411	0.6
81.41824	0.7
135.04454	0.9
138.16638	0.6
146.03717	0.9
147.04504	8.7
159.04515	6.4
161.04880	2.9
162.05606	40.8
175.04004	7.6
176.04820	1.5
176.07167	45.8
189.05713	0.7
190.04919	4.9
190.06520	1.6
197.23625	0.7
201.09540	0.7
204.06662	32.5
246.08006	1.2
247.08453	6.5
281.28455	2.8
318.80298	0.7
397.31158	1.4
400.29852	7.2
415.32294	17.1
472.34387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
62.60509	0.7
62.76593	0.9
64.03348	0.8
67.02446	0.8
71.01373	8.3
72.99292	1.3
80.18621	0.7
89.02439	1.8
101.66978	0.7
115.00368	36.2
133.01425	100.0
135.04510	12.5
153.05583	3.8
172.35626	0.9
177.01927	29.7
198.64473	0.9
315.10809	1.3
339.07263	13.1
473.12286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43080	0.3
55.50190	0.3
59.01348	0.3
59.26184	0.3
61.64860	0.3
62.76629	0.3
72.42151	0.3
74.76836	0.4
78.95906	33.2
80.40723	0.4
87.00826	0.4
87.31499	0.3
91.38287	0.4
93.03436	0.4
96.96958	100.0
99.58872	0.3
105.99680	0.3
121.02939	0.5
124.04022	0.4
133.01439	0.5
144.22498	0.4
151.03964	1.5
191.05679	0.6
195.03029	0.8
259.03976	1.5
277.05161	0.5
473.11044	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94617	0.6
57.64778	0.7
59.01404	0.7
109.02938	9.0
111.00854	1.9
118.79337	0.8
119.05043	1.3
135.04538	8.3
143.05032	1.1
144.37920	0.8
149.06104	4.3
161.06061	4.4
162.03206	1.0
163.04044	3.8
165.05597	4.3
171.04518	3.9
173.05991	1.2
174.03217	1.1
177.05582	37.2
179.03453	1.5
179.85327	0.8
188.04712	1.1
189.05586	100.0
207.06654	19.1
219.06738	1.0
221.04579	28.8
231.06474	2.6
239.05595	1.0
249.07671	4.8
267.08600	2.4
311.07773	26.9
351.10971	9.8
387.94321	0.8
395.09897	6.1
413.10892	3.2
418.81146	0.9
453.42819	0.9
473.13107	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
60.34985	0.4
72.99301	46.0
74.99698	0.5
92.70184	0.5
101.02446	0.5
105.69698	0.5
106.57982	0.5
111.00869	2.4
113.02415	0.5
120.02158	0.5
122.40965	0.5
123.04507	10.7
125.64463	0.5
135.04520	13.0
140.54462	0.5
151.04028	0.5
179.03493	48.6
180.03809	0.6
181.04063	0.5
190.02690	0.6
197.04559	100.0
198.04959	0.6
199.05098	1.0
205.05070	0.8
243.22443	0.5
279.20425	0.5
349.18201	0.5
359.09872	64.9
361.10587	3.3
473.12738	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43415	0.5
58.04466	0.6
59.01369	0.9
67.80083	0.6
89.62386	0.7
92.22421	1.1
101.02432	1.4
120.99647	100.0
170.66406	0.6
229.12442	1.0
230.02417	0.7
235.11662	11.5
245.10066	1.5
251.11211	8.2
263.11124	24.3
351.12802	4.1
385.11572	1.4
473.13162	79.5
473.25482	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55539	0.5
54.01399	0.5
55.95657	0.6
57.08323	0.6
59.01373	0.9
72.99303	10.6
75.00854	1.2
93.03444	12.6
101.02448	0.6
107.04984	1.2
115.00346	1.3
119.05025	17.8
133.01416	1.4
135.04518	25.8
137.06129	1.4
147.04561	1.7
163.04008	54.0
181.05072	100.0
249.09164	1.2
315.05521	0.7
355.08090	1.2
385.13080	1.1
473.14578	74.9
485.94394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90374	0.4
59.01384	1.0
62.88228	0.5
70.02970	3.3
71.01384	1.1
71.02498	1.2
72.00901	1.1
74.27064	0.6
80.04664	0.5
83.91725	0.5
84.89555	0.5
85.26913	0.5
88.83721	0.5
89.02417	1.0
93.03458	2.1
95.02493	4.2
96.11926	0.5
101.02440	1.0
111.02010	1.2
113.03571	34.4
114.01957	20.1
131.04617	100.0
137.02429	0.9
161.04573	1.0
173.04552	2.5
179.05528	0.7
190.12897	0.5
191.05595	2.2
199.01338	0.6
296.68552	0.5
304.46835	0.5
341.10864	2.8
473.16110	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
60.86470	0.4
63.44022	0.3
65.70409	0.3
67.54467	0.4
70.02969	3.4
71.01383	0.4
71.02506	1.8
72.00897	1.6
77.22177	0.5
89.02455	1.7
95.02502	3.9
111.01986	2.5
113.03559	31.1
114.01959	18.1
114.02751	0.8
131.04617	100.0
161.04469	0.4
179.05661	0.5
200.98895	0.8
209.74692	0.4
232.05209	0.4
233.09618	0.4
269.01547	0.8
272.16928	0.4
275.23062	0.4
298.96475	0.8
341.10852	2.9
364.90839	0.4
473.16336	2.3
485.02567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21473	0.7
59.01382	75.0
60.82669	0.8
71.01366	3.9
72.99339	0.8
73.02935	0.9
84.20383	0.9
85.03003	0.8
87.00866	1.3
101.02454	1.8
113.02444	1.7
113.78596	0.8
115.20908	0.7
120.02130	0.9
123.04508	3.7
135.04510	1.2
138.03230	6.7
153.01952	1.9
153.05568	100.0
161.04579	7.4
162.03198	4.3
167.03471	5.1
168.04224	0.9
177.05582	8.0
205.05070	3.2
213.03877	1.1
223.06216	1.0
315.10938	9.2
385.11295	1.1
481.47464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16766	2.2
51.01078	2.2
58.00596	3.3
58.91348	2.4
59.01102	4.5
59.01381	100.0
59.75153	2.4
71.01375	50.4
85.02950	4.9
87.00877	11.4
89.02433	80.5
93.03470	5.4
101.02424	29.8
111.04492	3.4
113.02441	27.4
115.03999	7.0
117.03452	5.8
119.03500	33.1
131.03473	4.0
136.01631	4.7
137.02438	4.1
143.03497	5.4
145.02957	40.5
146.03682	5.8
147.04535	15.1
151.03986	13.8
161.02461	28.7
161.04478	4.6
162.03210	68.1
165.05589	3.3
173.04536	4.0
175.03902	3.5
177.05553	26.4
179.05611	49.3
180.04311	3.2
180.10936	2.8
195.06633	27.1
228.38814	3.7
296.67062	3.1
357.11972	40.0
375.12943	11.5
473.16379	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.3
64.81519	1.0
71.01373	2.4
73.02944	1.2
84.05493	1.1
85.51077	0.9
89.02435	5.9
98.78783	0.9
101.02446	5.0
113.02438	2.5
115.43290	1.0
117.03418	1.5
119.03509	1.6
125.71245	1.0
132.02182	1.4
134.03749	23.8
135.06648	1.5
149.06017	4.9
160.01663	42.1
172.27617	1.1
175.04012	100.0
191.07204	5.1
193.05070	33.6
207.06708	1.6
235.06064	6.4
360.00720	1.1
388.63232	1.2
399.06854	1.2
458.44183	1.4
473.16708	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13498	0.6
59.01384	8.3
66.78285	0.6
71.01383	4.0
72.99287	0.7
73.02965	0.7
85.02943	1.2
87.00856	1.3
89.02444	4.1
101.02451	3.3
113.02446	1.7
117.03460	1.0
119.03509	1.3
132.02176	1.7
132.03525	0.7
134.02730	1.1
134.03735	22.6
135.06592	2.8
138.05740	0.7
140.74478	0.7
149.06133	3.5
160.01660	34.9
161.02434	1.5
162.76147	0.8
168.34439	0.8
175.04008	94.0
178.02750	1.0
191.07147	3.1
193.05063	28.9
201.59238	0.8
205.05074	1.0
207.06668	0.9
213.04129	0.8
235.06145	6.8
300.21527	0.9
306.29422	0.8
443.58789	0.8
473.16779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27447	0.9
57.58298	1.1
59.01387	6.3
71.01402	5.0
74.54571	1.0
75.00906	1.1
85.02956	1.2
89.02445	5.0
101.02463	6.2
113.02452	9.1
119.03505	2.1
134.03745	23.7
135.06686	5.0
149.06125	5.1
160.01671	36.2
175.04008	100.0
176.04721	2.2
178.02905	1.4
184.63211	1.4
190.02621	1.2
191.07242	5.7
193.05081	31.3
205.05211	4.4
207.06619	1.1
221.04610	4.3
235.06161	14.2
297.08194	1.1
473.16953	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82001	0.6
59.01382	10.8
61.98825	4.2
67.01882	4.3
71.01374	3.2
72.99300	1.2
74.99113	0.8
76.55125	0.7
85.02944	15.1
87.00862	1.3
89.02440	4.9
97.03015	0.8
101.02443	4.3
109.91512	0.8
111.00876	100.0
113.02445	1.2
115.04008	3.3
119.03455	1.4
123.02607	0.8
129.01965	1.1
177.09198	5.3
263.11417	1.7
267.24670	0.8
290.02020	0.8
371.45105	0.9
375.16785	1.8
385.14175	0.9
473.16141	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50447	0.6
78.95902	9.2
85.02948	4.5
89.02422	2.8
91.64114	0.9
96.96004	1.6
96.96948	30.1
111.05299	0.7
121.30717	0.8
123.04498	4.7
124.28893	0.8
137.02419	1.6
151.04002	4.9
191.05623	100.0
196.06131	3.3
197.04510	0.9
226.37289	1.0
375.09311	3.0
409.04800	0.8
473.14490	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22757	0.7
54.82089	0.7
55.50183	0.8
56.62816	0.7
56.95641	0.7
59.01382	100.0
63.04345	1.0
71.01377	28.4
85.02937	3.9
89.02435	51.7
95.01380	1.1
101.02444	17.0
113.02453	16.2
119.03490	18.5
143.03535	1.9
161.04538	4.1
179.05629	34.6
250.25125	1.0
327.25644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08866	1.3
80.32725	1.5
87.00871	100.0
88.06863	1.8
108.03516	1.8
134.03709	1.8
160.01631	6.9
175.04002	14.5
176.10196	1.9
186.69609	1.8
193.05122	3.9
326.48483	1.9
339.06888	1.9
473.16345	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62157	1.8
59.01384	66.6
59.90208	1.4
63.04209	1.6
64.78551	1.6
71.01373	3.4
76.34972	1.6
76.82395	1.7
89.02424	3.2
101.02473	2.5
113.02423	2.3
161.09726	2.1
171.11801	12.2
177.12793	6.9
187.11314	7.1
189.12860	63.5
215.10735	4.1
221.11717	3.4
233.11826	67.2
267.55246	1.8
299.62375	1.8
395.17154	100.0
413.18478	3.4
441.96271	1.9
473.20306	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.222
Annotation	oxyacanthan
Peak:m/z	Relative Intensity
51.44853	0.8
57.32544	0.9
58.80738	0.8
59.01373	1.2
59.21550	0.9
63.96246	1.2
69.15230	1.0
70.95068	1.0
72.99306	4.9
74.99076	5.1
87.00871	26.5
92.22422	1.2
117.97243	1.1
123.80748	1.0
129.26001	1.0
132.99596	1.6
135.98351	8.2
136.99144	1.7
151.00751	2.1
159.66766	1.1
162.81981	1.3
216.12343	1.2
220.93565	1.0
308.49780	1.2
321.20752	24.4
335.22372	1.7
367.19476	4.2
385.20618	42.3
411.22186	1.3
473.22229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01384	17.1
71.01377	12.7
73.02925	2.5
76.84267	1.1
80.18200	1.0
85.02921	6.1
87.99788	1.0
89.02433	7.9
101.02443	15.2
111.08113	6.8
113.02399	7.4
145.67584	1.1
161.04474	1.8
165.11519	1.7
165.12851	44.8
181.12221	1.3
183.13908	66.3
195.13809	1.1
209.11769	4.7
227.12788	4.8
249.18483	1.3
267.19693	11.7
293.17526	5.6
311.18469	6.8
311.21732	1.2
347.92902	1.0
383.20490	2.3
473.23706	100.0
489.13159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.59675	0.5
69.54764	0.6
73.02921	0.8
89.33244	0.5
111.00911	1.0
164.85468	0.6
176.36385	0.6
270.48892	0.7
330.59097	0.6
473.23898	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60668	1.6
55.44306	1.7
59.01380	20.9
62.64358	1.7
63.16520	1.9
63.59406	1.8
69.63903	2.2
70.69283	2.1
71.01365	15.5
73.02921	4.3
76.64149	1.7
76.77145	1.8
81.68225	2.0
85.02914	7.4
89.02450	2.9
101.02408	13.6
111.08121	4.1
113.02392	8.4
161.04480	3.2
165.12839	33.7
171.10165	2.4
183.13914	46.1
185.66725	2.0
209.11787	7.3
227.12677	3.0
249.18474	9.3
267.19681	84.1
273.79840	2.1
275.16467	4.3
293.17642	29.8
311.15207	2.1
311.18713	39.4
311.22076	5.1
317.17413	2.8
353.19574	3.0
369.80844	1.9
383.20181	3.0
413.21619	8.5
473.17371	3.9
473.23630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56298	0.6
53.84674	0.6
59.01381	100.0
59.40495	0.5
60.78431	0.5
71.01367	3.3
73.02956	2.8
75.60575	0.6
79.15254	0.5
89.02432	1.1
98.45058	0.6
101.02431	3.0
113.02415	1.1
155.79286	0.6
238.69173	0.7
258.40744	0.6
473.20175	0.9
473.23721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2906
Annotation	Cynanchogenin
Peak:m/z	Relative Intensity
57.03445	11.2
57.73554	1.4
59.01394	5.9
64.07583	1.4
65.92442	1.5
67.73904	1.3
71.01380	2.0
78.55368	1.7
82.30554	1.4
84.13729	1.9
85.02950	43.0
94.85452	1.3
95.05004	2.7
109.06584	40.7
111.08201	1.9
113.06071	32.6
125.06050	2.2
127.09100	1.5
137.06068	12.8
155.07146	36.8
198.23491	1.4
205.27710	1.5
222.51906	1.4
251.90025	1.6
271.04785	1.5
295.22888	3.1
381.58716	1.4
402.83649	1.5
411.28845	3.4
424.38733	1.8
429.29831	1.8
473.29166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03440	2.0
57.24608	0.7
59.01388	9.4
65.03155	0.8
73.02937	1.7
76.38622	0.9
83.01386	14.3
89.02465	0.8
91.03977	4.1
99.71618	0.8
101.02467	7.1
105.93563	0.9
111.55624	0.9
119.03503	1.0
157.05028	4.4
175.04590	1.3
175.06123	36.6
179.03468	0.9
193.07167	5.3
244.77118	0.9
255.23315	100.0
279.23221	3.9
377.99469	0.8
413.29236	10.2
431.30185	48.7
431.36075	1.9
473.31244	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3273
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.44807	0.9
59.45652	1.0
62.84809	1.3
69.03461	2.2
89.83777	1.1
107.05025	2.1
109.06580	74.2
122.42886	1.0
134.03732	8.0
148.05318	2.1
159.58455	1.3
160.01639	13.2
167.03043	1.1
175.03998	35.1
191.84500	1.1
193.05042	2.4
204.11716	1.3
219.82721	1.3
234.04701	1.4
297.24295	5.7
317.28470	2.2
355.30536	1.2
357.31665	56.7
383.33307	1.2
385.34708	24.9
411.32770	19.1
429.28406	1.6
429.33713	45.0
429.39597	2.0
473.33432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33175	1.0
51.35871	1.0
59.01390	1.5
59.60165	1.0
59.99660	1.3
61.85276	1.2
64.87385	1.3
65.56244	1.1
86.99434	1.4
139.11244	4.8
150.02383	1.4
167.10776	5.4
186.93686	1.5
195.10257	17.0
211.17439	1.4
249.42490	1.5
273.74960	1.4
277.21732	100.0
338.32849	1.4
393.37579	1.8
431.19888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.11638	0.4
65.61109	0.5
68.95786	0.4
77.13619	0.5
77.86755	0.5
83.05007	0.6
126.04414	0.6
146.55914	0.6
255.13866	0.6
357.27655	1.2
357.31616	13.0
357.35828	0.8
369.31720	5.3
401.30521	6.0
409.31204	0.9
411.32727	61.3
429.33765	100.0
473.32852	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.96051	0.8
92.23012	1.5
96.08790	1.0
113.41405	1.0
124.80280	0.9
158.29538	0.8
288.13409	1.1
357.31674	100.0
401.33975	1.2
411.32843	4.0
429.33759	22.9
468.64407	1.1
473.32791	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.99633	0.7
59.01376	1.9
67.51339	0.9
67.51708	0.8
69.03450	3.5
83.05022	50.6
125.06077	60.0
150.83502	1.0
157.78728	0.9
225.05730	1.1
279.23239	1.8
299.25848	1.9
303.27075	1.6
314.94702	0.9
324.18649	1.0
355.30133	3.6
357.31650	21.8
427.32236	2.0
429.33731	45.8
473.32855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3639
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
59.01382	31.7
69.09766	0.3
70.67578	0.3
81.45303	0.3
85.38174	0.4
135.04529	0.4
153.01497	0.4
163.49614	0.3
351.27548	0.4
459.06879	0.3
473.25455	4.9
473.36420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
55.73801	0.2
62.13861	0.2
64.62618	0.2
75.98409	0.3
83.05016	1.5
85.02952	1.5
103.81161	0.3
111.04502	0.4
113.02448	100.0
121.44313	0.3
125.61903	0.3
195.64105	0.4
230.93596	0.3
474.12241	0.4
483.27805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75465	0.4
66.90826	0.3
72.99323	0.8
85.02938	0.8
99.00916	0.5
104.97352	0.3
111.04540	0.4
113.02449	100.0
114.02764	1.7
184.18387	0.4
216.62068	0.4
360.10129	0.7
474.13138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07430	0.3
62.58693	0.2
67.15424	0.3
71.01367	0.4
85.02947	2.3
87.00890	0.5
88.24248	0.3
93.03472	0.6
127.04012	0.7
173.04488	0.6
191.05624	100.0
192.06007	0.6
351.90137	0.3
403.97369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.1
60.86937	0.3
61.56252	0.3
69.03459	0.4
81.28133	0.3
83.05035	0.7
85.02940	0.8
87.33681	0.3
91.91579	0.4
94.98058	0.4
110.29549	0.3
113.02449	100.0
155.29649	0.4
159.41164	0.3
176.65050	0.3
193.05128	0.3
204.57680	0.3
259.52271	0.4
288.10944	0.5
316.13950	0.9
317.84048	0.4
474.16522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1775
Annotation	Dauricoside
Peak:m/z	Relative Intensity
57.73771	0.5
68.52828	0.5
71.01379	7.7
72.99292	2.3
75.71973	0.5
77.38681	0.6
89.02450	1.2
104.67036	0.6
115.00368	41.4
121.87132	0.7
133.01431	100.0
133.46820	0.6
144.59825	0.7
154.50504	0.6
310.11050	1.0
315.88214	0.6
325.13266	3.4
340.15509	0.9
479.28241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87879	0.5
57.05095	0.6
65.14059	0.6
71.01385	8.5
72.99306	1.5
89.02440	1.4
91.91148	0.7
94.44775	0.6
115.00362	44.3
127.42220	0.6
133.01436	100.0
142.74191	0.6
151.80916	0.6
188.46954	0.6
249.26208	0.7
310.10956	1.1
325.13116	2.4
340.15573	2.6
341.41174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76152	0.7
56.54830	0.5
59.38183	0.5
64.58466	0.6
70.38147	0.5
71.01375	10.1
72.99309	1.4
75.43258	0.5
89.02440	1.5
115.00365	41.6
133.01425	100.0
154.46819	0.6
310.10965	1.2
320.73981	0.6
325.13147	5.2
340.15631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1776
Annotation	Dauricoside
Peak:m/z	Relative Intensity
62.97932	0.4
71.01360	0.4
117.93959	0.3
118.21227	0.3
119.60956	0.4
124.01662	0.5
133.05341	0.6
134.03752	1.5
135.04536	7.5
148.04091	0.7
148.05301	21.4
149.06058	2.4
150.03194	0.6
169.76755	0.3
175.04042	0.5
176.03532	3.1
177.04341	2.6
178.05095	28.4
186.00558	0.4
190.05115	4.7
191.05887	0.8
192.06717	0.5
240.43207	0.5
253.08652	1.5
297.10083	20.7
298.10904	0.6
312.12445	100.0
320.37463	0.4
474.17780	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67999	0.7
57.98315	0.7
59.01377	9.2
64.91888	0.7
68.65960	0.6
78.95894	4.2
93.80125	0.8
125.76315	0.8
140.01154	1.4
144.27728	0.8
196.03754	1.3
214.04884	1.6
277.21753	100.0
280.34970	0.8
305.35754	0.9
312.78601	0.9
428.34219	1.0
474.26266	43.7
474.33099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25733	0.4
59.01103	0.9
59.01380	18.8
60.01725	0.9
61.98819	0.7
65.55879	0.5
66.62436	0.4
69.34074	0.4
78.95903	100.0
85.36926	0.5
95.18309	0.4
96.96966	7.9
152.99588	25.3
171.00647	39.7
174.98515	0.6
227.32417	0.5
264.60577	0.6
342.73050	0.6
400.22693	3.0
474.26300	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
55.59729	0.8
59.01138	0.9
59.01383	13.5
61.98816	4.6
78.95901	19.2
94.74782	0.8
126.11868	0.8
140.01176	8.4
152.99550	3.9
196.03835	14.3
213.48332	1.0
214.04895	2.0
277.21747	100.0
337.21741	5.9
474.26279	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
54.29931	0.7
57.62798	0.8
61.05932	0.8
78.33144	0.7
78.95899	100.0
84.25181	0.9
96.96955	10.2
152.37425	0.9
152.98305	1.4
152.99571	32.8
171.00644	41.6
213.16544	0.9
245.50722	0.9
400.22647	3.2
474.26297	89.1
478.44583	0.9
490.83939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64928	0.4
59.01379	3.9
64.42084	0.4
69.98721	0.4
76.79709	0.5
76.97164	0.4
78.95906	100.0
80.99490	0.4
92.22726	0.7
96.96958	9.1
99.38579	0.5
152.99586	25.1
171.00647	39.0
206.13658	0.6
395.29016	0.6
400.22717	2.5
474.26328	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2867
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
59.01366	1.4
61.98837	1.0
72.00913	2.3
82.92475	0.9
89.12437	0.9
91.05542	8.1
97.06590	4.9
139.62891	0.9
147.04504	17.6
164.07178	64.8
170.11873	1.9
179.74574	0.9
182.15553	1.9
210.15018	5.8
224.17467	1.1
225.72609	0.9
250.35321	1.0
474.19882	4.4
474.28699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1094
Annotation	Napyradiomycin SR
Peak:m/z	Relative Intensity
59.01377	2.7
59.03237	1.1
62.67747	1.1
63.04809	1.0
67.93215	1.1
71.01378	5.3
71.17033	1.1
72.99303	37.6
73.11658	1.0
89.02416	5.7
98.28600	1.0
100.28337	1.2
101.02436	2.0
102.57394	1.1
115.00360	1.3
123.04483	5.4
123.05302	1.1
135.04539	8.3
148.42914	1.2
152.83716	1.1
166.27499	1.3
179.03493	37.7
197.04564	100.0
242.81207	1.2
359.09918	40.5
405.19308	1.2
415.16061	4.9
475.10953	43.1
482.57388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
71.01372	4.3
72.99300	36.2
72.99689	1.6
87.00861	1.4
87.07574	1.2
89.02451	6.5
113.71235	1.2
123.04500	7.7
133.01454	1.2
135.04536	10.2
162.31773	0.9
179.03502	42.0
191.05588	1.6
195.64583	1.1
197.04559	100.0
221.54659	1.0
320.99805	1.4
359.09906	77.3
415.15991	8.1
439.66141	1.2
475.10849	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05172	1.1
58.90929	1.0
59.01387	2.7
71.01378	12.2
89.02413	4.9
96.96994	1.5
99.00890	5.7
115.00368	43.1
133.01428	100.0
163.03987	4.8
201.87910	1.3
221.57439	1.1
402.84976	1.3
413.01392	1.2
433.99200	1.2
475.14545	14.1
496.10974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
63.88757	0.9
71.01376	11.2
72.99313	8.9
82.30872	1.0
85.02921	1.0
89.02414	4.6
96.95998	2.2
96.96962	1.8
99.92602	1.4
105.33050	1.0
115.00362	42.4
115.92069	2.3
116.92871	1.0
123.04511	2.1
133.01431	100.0
135.04555	1.9
144.44870	1.0
145.45850	1.1
159.21840	1.1
163.03970	1.0
167.03465	4.6
179.03476	8.4
197.04552	13.2
240.84740	1.1
253.07307	1.6
301.67166	1.2
355.35696	1.0
359.09900	1.8
475.01740	1.9
475.14624	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00831	0.8
68.43224	1.0
71.01380	9.7
72.99307	1.7
78.91915	0.8
82.72040	0.8
87.78831	0.9
89.02441	2.3
89.63035	1.1
96.96923	1.3
104.74961	0.9
115.00363	38.9
133.01428	100.0
162.05605	49.2
163.05975	25.7
186.58971	0.9
270.11313	6.1
271.11707	13.7
382.26169	0.9
427.23703	1.1
475.18408	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37648	0.8
51.84658	0.7
59.01374	1.7
71.01382	9.6
72.99302	1.9
75.32449	0.9
76.74534	0.9
77.99817	1.0
87.88995	0.9
89.02461	3.6
99.00880	5.1
101.02459	1.5
109.87514	0.8
113.02409	1.9
115.00368	36.5
116.00671	1.1
133.01428	100.0
134.01823	2.2
141.54814	1.0
163.03993	4.6
205.08803	1.0
325.12958	1.2
475.14648	11.3
483.02927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07335	0.3
59.01380	6.2
71.01378	1.0
89.02435	0.7
93.03449	37.0
101.02431	0.4
112.72772	0.4
113.02449	0.9
134.03734	3.0
137.02443	100.0
144.55505	0.4
160.01634	2.0
161.04500	0.4
175.03990	9.2
193.05057	2.6
253.05142	0.7
283.02563	0.8
297.04037	0.9
298.04861	3.5
313.07269	1.8
337.09198	3.1
415.23541	1.0
475.12469	9.7
475.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81922	0.6
71.01364	7.1
72.99285	1.3
89.02449	1.6
114.99605	1.5
115.00366	32.8
133.01428	100.0
184.24481	1.0
191.05666	6.2
201.63651	0.9
227.14763	0.7
246.53542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70465	0.7
71.01376	7.6
72.99299	5.8
85.02921	0.7
89.02441	1.7
89.56059	0.8
95.15175	0.8
100.10168	0.8
103.03998	4.5
115.00352	33.8
131.04607	4.8
132.02992	1.2
133.01422	100.0
133.05055	19.1
135.04494	1.3
175.44295	0.9
179.03488	7.4
190.08479	0.8
191.05583	3.9
197.04558	15.1
359.09845	7.8
381.06180	1.0
463.44760	0.9
475.11026	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	46.3
71.01373	9.0
73.02946	1.0
85.02953	3.3
89.02436	9.1
94.93043	0.9
101.02444	7.9
107.23586	0.9
113.02442	4.9
115.19041	0.9
119.03526	1.5
133.02971	3.6
134.03743	7.2
136.01665	1.6
137.02388	1.7
147.04543	1.3
148.05267	1.6
149.06097	1.6
153.05559	1.7
160.01653	17.6
175.04004	78.4
177.01987	1.2
192.04335	2.2
193.05084	11.8
226.85286	0.9
229.14420	4.0
235.01079	1.0
282.65607	0.9
329.14420	1.0
415.23550	4.3
424.18262	1.0
439.16150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25244	0.2
53.24503	0.2
55.55020	0.2
59.01384	1.8
59.95363	0.2
68.99568	62.6
71.01368	1.1
72.99291	0.5
77.48373	0.2
78.40295	0.3
87.00883	2.4
89.02475	0.5
101.02459	0.3
112.98560	100.0
121.67536	0.3
127.00168	0.4
129.82758	0.2
135.04500	0.3
161.04498	0.4
179.03419	0.4
184.03444	0.2
197.04614	1.1
316.40042	0.3
337.24933	0.3
410.41351	0.3
475.22635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10913	0.7
58.07871	0.8
59.01386	6.9
68.99570	69.8
71.01367	1.6
72.99288	1.0
87.00858	1.1
101.02420	1.2
104.58727	0.9
104.70348	0.9
112.98559	100.0
115.03989	1.1
162.00198	0.9
191.05586	1.3
197.04562	1.6
245.56078	0.9
251.39520	1.0
272.62946	0.8
475.21936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1456
Annotation	METHOTREXATE SODIUM
Peak:m/z	Relative Intensity
50.25603	0.8
59.01382	7.7
71.01379	7.3
72.99320	11.1
73.02938	4.5
73.42094	0.9
85.02937	3.4
89.02437	10.9
95.01438	1.1
96.95984	4.8
96.96954	2.2
99.00872	44.8
101.02425	4.5
111.12395	0.9
113.02439	11.3
115.00314	0.9
123.04514	4.0
124.29395	0.9
131.03464	2.0
133.01414	3.9
133.05034	3.8
135.04517	5.1
149.04558	1.3
151.03984	1.1
161.04521	3.7
163.04005	36.0
179.03508	11.2
183.14711	0.9
191.05608	5.6
197.04585	19.8
217.93994	1.1
247.91495	1.0
249.02469	0.9
268.26880	0.9
343.10342	4.3
359.09796	4.0
475.14590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42052	0.6
53.92601	0.6
59.01381	3.0
67.35456	0.7
70.37957	0.8
71.01385	1.6
71.03942	0.7
72.99304	46.6
87.94667	0.7
89.02444	1.5
95.55922	0.7
96.96019	1.2
101.02437	1.3
115.04002	0.9
123.04504	18.9
135.04523	23.7
179.03506	48.9
197.04568	100.0
277.09253	6.1
359.09857	1.4
475.11047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03778	0.7
59.01396	1.3
71.01381	1.3
72.99306	46.2
78.54014	0.9
87.00880	3.4
89.02447	2.0
101.02431	1.1
103.04008	1.6
105.03189	0.9
105.38179	1.0
113.02451	1.0
123.04514	21.0
133.05061	4.7
135.04521	28.1
141.19997	1.0
151.04036	1.3
179.03506	45.3
197.04564	100.0
208.56873	0.9
267.53128	1.1
274.59659	1.2
277.09271	4.4
377.09714	1.0
475.13110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51893	0.8
56.55947	0.8
59.01369	5.7
67.80648	0.9
71.01378	5.1
72.99306	51.7
87.00858	1.4
89.02438	10.4
101.02409	1.3
104.53104	0.9
106.37260	1.1
113.02443	1.7
115.00346	1.9
123.00835	1.6
123.04511	12.5
133.01413	5.5
133.05063	43.2
135.04518	17.3
151.04018	13.1
156.90523	1.0
160.17984	1.3
167.03447	4.6
179.01910	1.6
179.03500	58.6
195.03035	12.7
197.04567	100.0
213.04092	1.8
221.04628	1.1
241.04335	1.4
310.08813	1.1
340.19406	1.1
341.08829	18.3
359.09897	21.8
431.11905	4.7
475.14569	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
71.01381	4.4
72.99287	2.2
73.02934	0.6
89.02441	5.8
91.48937	0.6
91.78852	0.6
97.95823	0.6
99.37705	0.6
101.02421	2.8
107.05098	0.7
113.02444	1.1
115.00365	8.1
119.03465	1.5
133.01427	21.1
133.02928	5.6
135.04523	10.2
143.68990	0.7
151.06087	0.8
161.02438	100.0
164.79408	0.8
169.55196	0.6
179.03499	15.4
197.04594	3.4
221.04568	2.4
222.46207	0.6
244.26210	0.8
281.06650	2.5
364.17093	0.7
475.14581	72.0
499.04413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
62.53249	0.9
67.99553	1.0
68.05414	1.3
69.69678	0.9
71.01392	1.6
72.99303	53.7
75.08353	1.2
89.02420	2.5
122.39171	1.1
123.04527	18.6
135.04527	29.5
162.83324	1.4
179.01913	2.2
179.03503	53.7
197.04559	100.0
201.23897	1.3
225.52794	1.4
255.06082	1.1
277.09247	2.1
374.10165	1.2
433.94858	1.3
475.12137	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77383	1.9
59.01384	25.9
66.62350	2.0
66.62725	1.7
69.29465	1.9
71.01375	11.6
71.13216	1.8
72.99308	59.4
84.29857	1.9
85.02946	3.1
87.00863	3.2
89.02444	10.9
91.63374	2.0
97.41430	2.1
101.02443	17.0
113.02444	2.3
115.00340	18.5
123.04540	15.6
133.01422	53.2
133.05061	37.7
134.01767	8.2
135.04546	21.8
151.03976	3.9
153.86273	2.5
164.04720	2.2
168.92203	2.4
177.09184	3.4
179.03496	69.1
179.07114	34.3
185.35068	2.4
197.04568	100.0
261.44855	2.6
341.08847	18.4
342.19156	2.7
359.09863	22.1
431.12009	8.8
475.14572	60.6
475.18982	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51893	0.8
56.55947	0.8
59.01369	5.7
67.80648	0.9
71.01378	5.1
72.99306	51.7
87.00858	1.4
89.02438	10.4
101.02409	1.3
104.53104	0.9
106.37260	1.1
113.02443	1.7
115.00346	1.9
123.00835	1.6
123.04511	12.5
133.01413	5.5
133.05063	43.2
135.04518	17.3
151.04018	13.1
156.90523	1.0
160.17984	1.3
167.03447	4.6
179.01910	1.6
179.03500	58.6
195.03035	12.7
197.04567	100.0
213.04092	1.8
221.04628	1.1
241.04335	1.4
310.08813	1.1
340.19406	1.1
341.08829	18.3
359.09897	21.8
431.11905	4.7
475.14569	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01374	2.8
63.68619	0.3
65.77804	0.3
67.83485	0.3
68.98878	0.3
69.03436	0.3
83.05037	1.5
85.02955	1.4
91.56545	0.4
111.04504	0.7
113.02444	100.0
141.30670	0.3
169.61818	0.3
257.39871	0.4
332.23764	0.4
398.24417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1614
Annotation	Kadsuphilin D
Peak:m/z	Relative Intensity
50.19152	2.5
54.64507	2.2
56.31693	2.3
59.01384	30.7
62.48346	2.7
63.25182	2.3
63.63509	2.0
71.01012	5.1
71.01382	100.0
72.62804	2.2
72.99304	23.0
95.64433	2.5
107.51369	3.1
110.97095	2.3
115.00378	17.7
124.53051	2.6
129.01971	4.6
133.01474	4.0
175.07655	13.3
178.06369	9.8
326.11810	8.7
329.13959	46.7
359.15002	13.6
415.22876	3.6
457.15091	24.4
475.16302	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85619	1.7
56.68269	1.5
58.54303	1.6
59.01384	35.0
71.01384	5.0
72.99313	4.5
85.02934	2.3
89.02428	4.9
89.29730	1.9
101.02456	3.9
101.73970	1.9
109.06559	2.6
113.02440	3.6
120.50225	2.0
151.04022	3.4
165.32143	2.2
179.03497	2.6
197.04604	3.2
205.05022	11.5
208.06439	2.2
220.07423	3.6
252.06505	2.5
253.14478	3.7
262.39249	2.3
281.04895	2.7
281.08112	2.2
296.06952	23.3
297.07669	8.9
297.50143	2.2
309.07803	4.5
311.09341	35.2
312.10046	9.2
324.06293	3.2
325.07285	2.6
326.11670	8.0
339.08646	8.5
340.05997	19.4
353.06454	2.3
355.08289	55.5
356.09116	3.7
367.08301	4.6
368.09116	4.1
370.10562	22.5
371.11392	8.8
383.11334	13.0
383.16418	2.5
415.19684	10.9
422.97824	2.6
445.15057	21.9
475.16049	100.0
475.22266	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	64.5
62.08665	1.7
65.66777	1.7
68.58691	2.1
71.01388	12.3
73.02948	2.0
74.46648	1.9
83.31302	2.3
85.02959	4.1
87.00878	38.7
89.02431	3.9
100.85603	2.0
101.02438	9.6
113.02438	7.7
117.28678	2.4
134.12271	2.1
134.16777	2.6
190.06357	9.3
203.07065	2.3
206.38402	2.5
222.05264	2.5
264.84366	2.1
283.09671	4.8
309.07745	8.2
311.09344	3.7
322.08517	9.4
323.09293	23.9
324.09995	11.5
327.08810	57.5
338.11551	4.4
339.04587	3.2
339.08725	84.6
339.12231	8.1
342.11142	69.1
354.11023	24.2
357.13486	100.0
362.97894	3.2
369.13477	80.1
373.56677	2.1
377.18195	7.8
387.14496	2.5
408.18030	2.1
452.57047	2.4
475.16159	27.3
475.22153	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1616
Annotation	Kadsuphilin D
Peak:m/z	Relative Intensity
55.59576	0.5
59.01384	36.9
71.01374	10.9
73.02952	0.9
75.00850	0.7
76.39469	0.6
81.90119	0.5
83.01347	0.7
85.02946	3.0
86.95265	0.6
87.00859	0.8
89.02433	6.9
99.00859	0.7
101.02442	5.4
113.02413	2.8
117.03484	0.9
119.03484	0.9
119.05035	2.9
132.02159	2.6
133.02931	1.1
134.03743	23.1
135.04468	0.9
137.06084	0.9
145.02943	0.8
149.06082	4.6
160.01666	48.6
161.02422	9.6
161.04546	0.9
170.19907	0.7
175.04008	100.0
176.04855	0.7
179.03477	3.5
191.05582	1.0
191.07162	3.6
193.05070	19.5
211.09706	0.8
215.12700	0.8
221.04587	2.4
235.06151	4.0
281.06790	0.9
289.52795	0.7
313.11102	0.8
415.23480	3.7
439.15973	4.9
475.16156	95.9
475.25076	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46704	1.5
59.01104	2.3
59.01384	41.4
63.92733	1.8
65.63499	1.5
71.01383	2.7
72.99334	1.9
75.33566	1.6
77.16988	1.4
86.24434	1.9
87.00867	39.1
87.04518	2.4
89.02428	1.6
93.56243	1.6
101.02425	3.7
113.02416	3.5
127.26992	1.9
131.03539	4.1
155.16017	1.7
190.06335	8.7
222.05388	2.3
247.77689	1.6
283.09750	3.9
299.09332	2.7
309.07733	6.9
311.09128	2.7
312.06354	2.8
314.55029	1.8
322.08328	4.3
323.09381	22.1
324.06552	4.0
324.10117	12.6
327.08789	49.9
338.11548	3.8
339.08737	78.5
339.12311	7.3
342.11111	77.1
354.11172	23.4
357.13458	100.0
369.13461	77.8
377.18176	3.8
387.14706	4.1
475.16113	22.8
475.21542	5.5
475.26273	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67558	1.1
51.63946	1.2
51.67447	1.3
51.69676	1.1
64.01134	1.3
65.51115	1.2
70.23636	1.5
84.93824	2.4
96.96018	1.5
99.92579	67.7
100.93359	27.4
109.06592	2.3
112.05286	1.3
115.92070	53.7
116.92826	12.9
118.66938	1.5
124.96986	6.7
149.51508	1.5
152.96497	8.5
172.87811	1.4
196.95499	8.8
197.11728	1.7
197.96330	2.0
277.21750	40.3
279.23065	1.5
283.26672	1.7
319.57083	1.5
377.14279	5.9
413.34329	3.0
430.26532	2.0
431.35141	3.1
433.30692	1.5
457.17191	3.2
460.22470	3.5
475.17978	100.0
475.25116	7.2
475.34058	20.0
494.24838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90163	0.6
59.01379	30.1
69.56062	0.6
71.01360	1.0
74.40131	0.7
74.95003	0.7
81.42737	0.6
82.91634	0.6
101.02416	1.0
115.00349	5.9
116.00798	0.7
133.01413	14.5
134.01764	1.2
143.07426	0.7
146.03731	28.1
147.35968	0.7
156.03824	0.7
156.09517	0.8
161.06073	16.4
164.04797	22.0
179.07135	100.0
219.08496	0.6
224.31456	0.6
273.41248	0.6
346.60953	0.6
415.16138	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20854	0.6
59.01384	25.3
63.25138	0.6
84.93179	0.6
123.70896	0.7
140.10417	0.7
146.03743	25.3
146.04845	1.2
161.06050	15.3
164.04788	25.1
179.07144	100.0
212.61046	0.7
377.99677	0.8
415.16180	9.4
493.95938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90590	1.4
59.01384	68.6
59.97350	1.4
62.12181	1.5
66.27684	1.4
71.01378	43.1
73.02937	6.9
85.02944	3.6
87.00870	9.1
89.02439	100.0
101.02452	27.4
108.41663	1.5
112.72599	1.7
113.02461	17.8
119.03479	7.2
131.03499	31.9
149.04555	53.2
158.71881	1.7
165.75323	1.6
191.05684	20.1
216.86926	1.8
233.89633	1.5
248.70454	1.4
311.09778	3.7
388.57956	2.1
415.16165	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80786	5.0
52.36617	5.3
59.01386	52.3
59.06635	6.3
59.07901	6.1
68.99575	8.9
71.01385	29.2
71.45343	7.9
71.92380	5.8
73.02954	13.0
76.16723	6.0
89.01958	6.3
89.02427	55.3
99.00857	58.3
101.02428	10.3
112.98598	13.4
113.02427	31.9
113.67587	8.0
119.03551	10.4
125.06117	7.8
149.04503	9.7
169.05006	10.2
191.05643	10.5
415.16125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
59.01099	2.6
59.01380	49.9
62.39639	1.4
63.15786	1.5
71.01381	26.5
71.04277	1.7
73.02940	14.7
83.01392	9.6
85.02956	14.8
87.00890	3.6
89.02444	16.5
92.22537	1.8
101.02436	44.1
113.02459	23.8
119.03493	2.1
120.53368	1.7
125.02496	2.1
143.03395	2.5
148.27698	1.7
159.02963	2.8
161.04568	22.2
170.07516	1.9
183.60184	1.6
191.92953	1.7
248.96480	1.6
269.10315	17.6
276.82990	1.6
317.12439	24.4
370.79639	1.7
415.16147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30017	1.5
58.00584	2.1
59.01382	100.0
61.98817	3.9
71.01378	44.7
72.99280	3.2
73.02933	2.9
83.01396	2.1
85.02949	9.7
87.00871	14.4
89.02434	61.1
95.01328	1.8
95.05013	3.4
97.02937	18.6
100.40314	1.9
101.02448	36.9
113.02442	19.8
113.06070	3.1
115.03994	73.9
117.20663	2.0
119.03495	23.5
157.05028	3.5
161.04550	4.0
179.05597	3.9
279.10876	54.8
283.06128	9.3
298.08432	18.2
313.10797	23.8
323.22333	12.5
342.95557	2.1
359.13724	2.9
377.14490	35.0
377.18668	3.1
415.23416	10.6
475.17401	36.0
475.24356	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28151	1.3
53.64692	1.4
57.03428	1.3
57.13524	1.4
59.01383	100.0
71.01385	12.7
73.02942	8.7
85.02940	3.6
89.02441	12.1
94.70417	1.5
95.05045	4.0
97.02925	2.2
97.06595	2.8
99.00885	2.4
100.65495	1.6
101.02444	16.6
107.05022	7.7
113.02429	8.8
116.83064	1.8
119.03504	2.5
123.04554	2.0
125.06075	51.9
141.05559	2.5
151.04048	3.6
161.04536	7.1
169.05063	60.8
170.57770	2.1
192.16428	1.6
259.28476	1.6
263.11374	68.2
313.12860	3.0
355.36273	1.8
358.38727	1.7
408.93140	1.6
415.16162	12.7
415.23468	8.5
475.18106	2.4
475.25885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.89458	1.8
71.01373	21.0
73.02939	9.1
79.94035	2.1
84.66246	1.9
85.02960	8.9
87.00872	24.7
89.02451	22.7
95.05009	3.2
97.82096	1.9
99.00851	4.2
101.02425	18.1
101.06118	3.6
107.05006	9.9
109.49259	2.1
113.02420	9.5
123.04556	2.2
125.06075	45.1
135.85013	2.4
149.04617	3.9
151.04041	3.6
161.04573	4.3
169.05069	71.9
263.11337	53.9
316.19141	2.2
415.16034	18.2
429.96341	2.1
475.18228	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68334	1.4
54.12167	1.5
59.01379	70.7
66.43646	1.5
69.18049	1.6
69.38509	1.4
71.01379	51.3
72.99320	6.8
73.02940	11.2
76.91513	1.7
81.51307	1.6
85.02950	7.3
87.02805	1.6
89.01878	4.0
89.02434	100.0
89.48467	1.6
94.10558	1.4
101.02443	32.7
102.09692	1.7
113.02429	14.2
119.03493	9.7
125.02464	2.3
131.03494	19.4
143.03517	1.9
149.04532	37.7
149.05623	2.1
179.03494	11.2
179.05637	4.2
180.42139	1.8
191.05646	7.1
197.04559	21.2
215.98129	1.8
359.09818	9.3
415.16141	86.3
475.10904	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68023	0.9
59.01384	1.9
69.03446	7.8
71.01389	1.1
83.57152	0.9
85.02959	5.7
85.63071	1.0
92.22429	1.4
94.41533	0.9
95.05048	1.7
104.63554	0.9
111.04401	0.9
121.02960	5.8
135.04559	4.8
147.40024	1.0
157.38373	1.1
165.05568	55.7
173.57190	0.9
179.03622	2.1
191.07132	9.8
209.08211	97.8
221.61531	1.2
233.11913	6.9
235.09760	20.9
240.20444	1.1
251.12880	13.6
253.10817	1.8
277.10715	2.0
288.14133	1.1
295.11758	8.5
299.57663	1.1
313.12970	18.5
475.18387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07953	1.0
59.01382	2.7
60.99311	8.6
64.51080	1.1
65.38349	0.9
69.56113	1.0
71.01388	2.0
71.56605	0.9
72.99298	1.0
74.81280	0.9
88.98798	100.0
89.02416	4.2
96.96016	12.2
101.02443	2.1
115.03989	5.0
165.26163	1.1
255.06790	1.6
475.09085	4.1
475.22086	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94518	0.6
54.23378	0.6
55.71941	0.7
58.00597	4.7
59.01383	25.2
65.18661	0.7
71.01378	14.3
71.05008	0.9
83.05018	1.1
85.02960	9.1
85.06643	0.7
89.02441	8.8
89.41193	0.9
95.05015	4.8
96.96025	0.9
97.02947	26.4
99.04485	1.9
101.02436	7.2
113.02454	3.1
113.06087	16.0
115.04005	100.0
119.03479	7.3
119.30041	0.8
139.04008	7.1
143.03511	1.4
143.07115	1.3
157.05043	10.9
187.06189	1.3
208.64287	0.8
213.07770	1.6
279.10876	17.5
339.98129	0.8
359.13525	8.3
377.14539	7.4
475.18079	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.4
61.75442	2.4
71.01376	45.4
72.99301	6.0
73.02948	10.9
85.02945	16.3
87.00881	7.1
89.02434	22.0
97.01336	2.8
99.00844	4.7
101.02427	35.8
113.02438	17.7
115.03992	4.6
119.03499	4.0
137.02562	4.0
143.07170	5.2
151.20433	3.1
158.31390	3.2
161.04552	12.9
174.08119	3.1
179.05536	4.4
283.87167	3.2
313.16852	5.3
330.76932	3.5
331.17609	12.9
377.18118	13.7
475.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52871	1.9
55.01881	2.8
59.01382	58.4
70.30997	2.4
71.01377	38.2
72.99301	2.8
73.02934	13.9
75.03175	2.5
83.01400	3.3
85.02942	18.7
87.00885	19.4
89.02435	41.2
95.01382	3.0
97.02947	3.9
99.00860	2.6
99.04500	3.3
100.25308	2.7
101.02435	44.6
103.80828	2.5
111.00896	5.5
113.02428	21.1
115.04003	25.3
119.03501	13.3
125.09620	2.4
130.19305	2.7
143.03461	4.7
161.04544	14.4
179.05615	27.7
179.07014	3.9
215.12875	17.4
221.06664	5.5
323.09412	4.2
327.08829	17.0
339.08832	27.9
339.22894	12.0
342.11102	30.2
354.11157	4.8
357.13446	26.3
359.17096	3.4
369.13483	25.8
377.18201	54.6
415.23724	4.4
475.15863	16.8
475.21805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07184	1.5
51.13222	1.2
55.12162	1.2
59.01385	26.7
71.01381	22.9
72.99288	1.5
73.02940	2.7
83.01410	1.7
85.02952	9.0
87.00880	2.8
89.02428	10.1
92.23080	3.0
97.02947	9.9
99.00852	2.0
101.02450	17.3
113.02439	10.0
115.04017	28.0
119.03460	2.1
129.62381	1.6
135.04456	2.0
137.02446	2.2
160.01686	6.7
161.04645	1.8
175.04030	6.7
197.11833	7.1
201.43930	1.4
215.12939	18.0
299.33069	1.6
359.17151	6.2
377.18173	46.3
475.21939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05687	0.8
59.01381	17.0
59.89463	0.8
71.01385	8.9
73.02941	1.3
87.00869	100.0
89.02438	27.7
95.14896	1.1
101.02454	8.1
104.97269	1.0
110.79217	1.1
112.09591	1.0
113.02431	1.6
119.03521	1.1
131.03496	6.4
135.03052	1.0
149.04546	13.0
172.93633	0.9
179.49449	0.9
188.35333	1.0
191.05647	6.1
214.32753	1.1
239.21980	1.2
297.52542	1.1
415.16168	17.3
432.92102	1.0
475.16452	1.4
475.22458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05687	0.8
59.01381	17.0
59.89463	0.8
71.01385	8.9
73.02941	1.3
87.00869	100.0
89.02438	27.7
95.14896	1.1
101.02454	8.1
104.97269	1.0
110.79217	1.1
112.09591	1.0
113.02431	1.6
119.03521	1.1
131.03496	6.4
135.03052	1.0
149.04546	13.0
172.93633	0.9
179.49449	0.9
188.35333	1.0
191.05647	6.1
214.32753	1.1
239.21980	1.2
297.52542	1.1
415.16168	17.3
432.92102	1.0
475.16452	1.4
475.22458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.1
71.01394	11.8
71.76794	2.2
72.99314	2.7
73.02962	4.1
74.99110	4.7
83.90222	2.0
85.02974	3.4
87.00842	17.1
89.02454	10.1
101.02441	10.0
113.02450	4.0
115.04007	4.8
135.98323	2.8
165.15088	2.5
290.09897	2.9
323.22318	25.3
331.17575	9.8
377.18527	6.9
407.48438	2.8
417.38745	2.4
475.23495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.1
59.01384	100.0
59.28186	1.7
67.27934	1.7
71.01375	32.0
71.38543	1.7
73.02948	9.0
83.01377	3.9
85.02952	10.6
87.00870	11.5
87.04489	1.8
88.98804	2.5
89.02435	36.6
93.03400	2.2
97.06587	8.4
99.00886	3.0
99.04541	3.5
101.02433	26.3
105.01939	3.2
113.02457	16.5
116.32398	1.7
119.03510	10.7
119.05035	1.7
125.02443	2.8
149.68356	1.7
161.04543	7.6
173.04663	1.7
175.04001	16.3
193.05075	3.5
295.19363	13.1
313.20068	4.1
337.27020	2.1
381.90213	2.0
415.18854	20.0
439.16187	9.4
475.26065	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97361	0.7
59.01378	7.2
59.80951	0.7
60.28942	0.8
60.97554	1.1
62.99116	0.9
64.09215	0.8
64.48697	0.7
71.01369	1.7
72.99310	2.0
73.02965	1.2
73.98318	3.6
74.99102	7.4
87.00872	26.2
89.00670	1.1
89.02448	2.1
97.02926	1.1
101.02419	4.4
113.02419	1.8
113.06062	1.1
113.29161	0.9
115.03990	4.6
135.98358	7.0
136.99254	2.9
144.07199	1.0
151.00687	1.3
168.78784	0.8
201.47073	0.9
277.44461	1.0
279.10876	3.5
303.19800	1.7
321.20685	4.5
323.22299	31.2
369.21198	3.7
377.14471	1.2
415.19949	1.1
465.71759	1.1
475.23782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27488	14.5
59.01385	31.1
72.67823	15.7
89.02436	18.4
105.57366	15.8
113.02444	15.6
164.02486	19.4
182.93582	19.1
277.21771	40.6
382.86371	18.8
417.14539	17.4
448.88721	17.3
475.24722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2474
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
51.05599	3.4
59.01387	4.8
71.01377	7.2
75.71732	3.3
83.89884	4.3
92.22557	4.9
97.41025	3.9
97.93832	3.9
118.76396	5.6
247.46274	3.8
277.21774	100.0
319.22821	7.0
475.24548	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40613	17.1
59.01370	18.1
59.48072	18.4
59.66994	18.5
60.90500	16.3
62.04755	16.3
62.39443	16.2
63.38246	17.7
67.71192	17.6
74.81696	17.3
77.94511	17.2
92.22512	23.6
92.58610	18.0
97.63976	20.2
119.04530	19.3
130.79527	18.1
195.83833	19.5
202.23524	18.8
251.58455	20.0
279.23477	22.7
285.76465	22.2
330.35672	24.4
333.74796	21.0
342.07141	19.4
475.24686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55079	4.1
51.41598	3.2
52.79026	3.5
59.01382	49.6
61.98830	4.2
62.22274	3.9
69.24074	5.0
71.01376	37.4
86.41783	4.0
89.02443	47.5
101.02450	7.1
131.17047	4.6
137.09750	7.3
179.05585	18.1
184.09535	5.6
195.13885	9.0
277.21729	18.8
295.22815	100.0
325.62558	5.0
337.80341	5.2
475.24619	6.3
475.34756	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.94823	0.5
71.01378	1.0
71.94193	0.5
75.11792	0.5
85.02953	0.6
87.04498	0.6
90.66003	0.5
98.73865	0.5
101.02428	1.9
113.02478	1.0
217.57069	0.6
327.79202	0.6
415.23190	0.7
475.25815	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.7
61.98834	11.8
71.01369	51.9
72.99245	7.0
74.97135	7.5
84.87026	6.4
89.02439	68.0
101.02412	8.0
113.02412	9.8
119.39948	7.4
179.05644	26.9
180.10686	8.1
191.27774	7.1
195.13998	12.1
258.61542	7.7
277.21579	12.7
295.22763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41571	6.1
59.01378	87.8
71.01390	67.4
89.02441	100.0
101.02457	16.0
113.02453	16.7
114.38908	6.4
119.03466	9.7
129.03139	6.9
134.88596	6.4
161.04601	8.1
179.05620	49.7
256.87787	7.2
277.21786	33.9
295.22830	73.7
348.49579	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3062
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
53.80632	0.8
55.43180	0.8
59.01383	8.5
65.80616	0.8
67.19827	0.8
67.56856	0.8
77.33651	0.8
77.38120	1.0
79.95745	3.9
80.13860	0.8
82.26152	0.9
82.69187	0.8
85.59599	0.9
86.88571	0.8
92.22502	1.2
96.95995	17.3
97.02935	25.1
109.40899	0.9
139.88725	0.8
165.05525	1.6
315.26953	49.7
357.27850	3.7
357.31683	1.4
359.25870	1.2
367.30136	1.3
369.31616	22.6
375.19290	1.0
387.32852	1.1
395.29489	1.4
413.30243	23.7
431.31238	34.8
475.29828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
53.82633	1.1
54.72944	0.9
64.60933	1.0
66.31615	1.1
66.38810	0.9
77.05508	1.2
81.27433	1.2
82.56013	1.1
109.06570	7.8
133.02921	6.6
134.03740	15.4
135.04446	2.2
144.32806	1.3
148.05287	3.0
149.06148	1.5
153.31314	1.3
160.01656	32.6
161.02460	8.8
161.06104	1.8
162.03134	1.8
175.03995	96.5
178.02737	2.4
179.03435	2.0
192.68108	1.4
193.05072	10.3
233.08134	1.5
247.09814	2.4
258.92819	1.4
299.25943	23.4
303.27063	1.9
331.19537	1.5
339.32727	2.0
345.20776	2.3
359.22226	2.5
371.07974	1.4
373.23953	8.4
375.29071	4.3
385.34555	2.2
387.36322	2.5
395.33310	1.7
404.52640	1.3
413.34314	6.8
431.35507	18.0
443.27893	11.4
453.04480	1.2
457.33200	2.2
475.29965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3069
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
69.52210	1.1
73.54233	1.4
83.05042	1.7
103.06607	1.5
122.30795	1.4
133.03014	4.9
134.03749	8.8
135.04530	12.3
137.02426	6.8
161.02446	52.5
170.82930	1.5
179.03506	12.3
204.46597	1.6
272.71646	1.7
290.29529	1.8
317.28537	3.1
357.31769	10.1
359.33209	7.6
395.33252	6.0
413.34393	19.3
431.31662	72.2
444.79758	1.6
469.91840	1.5
475.29697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
98.57393	1.1
109.06599	2.3
118.76950	1.0
119.31691	1.1
132.70825	1.0
150.33475	1.0
154.98190	1.3
163.11278	2.2
183.99319	1.3
251.15446	1.1
283.17267	1.5
303.26886	2.0
371.87451	1.1
409.94235	1.1
413.34753	1.7
457.33441	1.5
475.28290	2.2
475.34167	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64771	0.7
59.01384	100.0
63.13649	0.7
83.74496	0.8
109.06574	1.8
109.70667	0.9
209.28380	0.9
215.45021	0.9
334.48029	0.8
383.40564	1.0
474.54501	1.1
475.34271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3433
Annotation	28-Homodolichosterone
Peak:m/z	Relative Intensity
52.55139	1.4
54.23141	1.6
66.22053	1.7
69.03452	3.2
76.27635	1.7
96.96002	2.7
102.91202	2.2
107.05033	2.7
109.06590	53.4
116.68856	2.0
123.81901	1.7
124.87132	1.6
133.02966	3.4
134.03738	15.5
148.05315	3.7
160.01643	28.6
161.02460	3.7
175.04002	100.0
178.02759	3.5
193.05115	9.5
261.11267	2.4
299.25876	16.3
303.27005	22.8
317.17746	2.7
355.30301	2.8
357.31400	2.6
359.21799	2.5
373.23517	3.5
385.34628	8.8
387.36533	3.0
395.33176	9.2
397.31027	2.4
411.32672	8.9
413.34445	17.5
431.35474	27.4
443.28183	10.4
457.33621	17.3
475.30423	62.4
475.34601	62.7
499.09180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3436
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
50.91711	3.4
61.98838	7.6
66.87175	4.0
68.26879	4.0
78.95910	4.3
93.03415	4.9
95.25339	4.7
96.96955	5.2
116.59613	4.4
121.00859	4.2
137.02420	4.9
155.03416	4.0
164.01210	4.4
165.05536	6.8
181.12325	10.2
183.10271	20.9
183.13803	6.8
199.13417	86.6
223.16930	7.2
235.17017	18.6
270.10349	4.2
275.20145	23.4
293.21259	48.0
303.36282	4.1
437.29248	5.4
457.33533	8.8
475.34473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66458	2.6
51.25426	3.0
56.42052	2.3
57.59205	3.0
74.32708	2.9
91.87621	2.8
101.19289	3.5
134.31711	2.8
149.64317	3.2
174.88133	3.3
181.12396	4.4
183.13898	15.6
188.27760	3.1
195.13893	13.2
199.13406	58.5
211.13470	3.9
218.43460	3.1
275.20117	6.1
293.21274	44.9
475.34344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17596	0.7
63.78845	0.9
72.11110	0.8
95.69492	0.7
99.92553	0.9
155.14398	3.7
183.13850	5.5
185.15538	7.2
195.17509	1.8
213.14919	7.3
214.19666	1.0
223.16945	3.7
225.14943	1.1
241.17996	1.0
269.72842	0.9
314.94638	0.9
427.34421	1.6
457.35263	1.2
475.36444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79126	1.3
59.01379	22.0
64.69849	1.3
65.98058	1.2
69.03493	1.2
71.01387	7.3
73.02935	1.8
82.97527	1.5
85.02956	6.9
89.02428	1.7
90.12457	1.2
90.13103	1.3
93.03476	1.5
95.05019	6.0
97.02908	2.0
97.06599	3.1
101.02453	1.8
107.05048	8.1
109.02928	1.8
111.04491	2.0
113.02423	6.4
113.78273	1.7
115.03989	2.4
123.04527	2.7
125.06078	60.9
137.06056	2.0
139.04002	2.8
149.06096	1.8
151.03972	2.2
161.04590	2.4
169.03613	3.3
169.05058	100.0
181.04979	1.7
205.08719	2.6
211.06129	3.3
223.09773	1.7
232.59146	1.7
234.78134	1.6
249.07510	11.6
265.10883	2.7
267.08685	17.5
281.10391	2.3
309.09854	18.9
339.11047	3.0
397.16882	1.5
416.23785	8.5
458.39911	1.7
468.75076	1.7
476.25925	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34470	0.6
59.01379	1.8
61.98831	100.0
71.77655	0.7
75.28982	0.6
87.00901	1.4
89.02433	1.2
143.61131	0.8
170.20415	0.7
202.79601	0.7
231.09380	0.7
235.37309	0.7
270.03799	0.8
296.02368	0.7
299.09433	0.7
476.14224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45188	10.1
59.01381	63.1
71.01362	100.0
85.02937	28.2
92.96045	14.4
113.02444	57.1
121.88886	13.2
140.07594	14.9
246.74135	13.3
264.65570	13.0
410.33691	14.1
476.13986	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79126	1.3
59.01379	22.0
64.69849	1.3
65.98058	1.2
69.03493	1.2
71.01387	7.3
73.02935	1.8
82.97527	1.5
85.02956	6.9
89.02428	1.7
90.12457	1.2
90.13103	1.3
93.03476	1.5
95.05019	6.0
97.02908	2.0
97.06599	3.1
101.02453	1.8
107.05048	8.1
109.02928	1.8
111.04491	2.0
113.02423	6.4
113.78273	1.7
115.03989	2.4
123.04527	2.7
125.06078	60.9
137.06056	2.0
139.04002	2.8
149.06096	1.8
151.03972	2.2
161.04590	2.4
169.03613	3.3
169.05058	100.0
181.04979	1.7
205.08719	2.6
211.06129	3.3
223.09773	1.7
232.59146	1.7
234.78134	1.6
249.07510	11.6
265.10883	2.7
267.08685	17.5
281.10391	2.3
309.09854	18.9
339.11047	3.0
397.16882	1.5
416.23785	8.5
458.39911	1.7
468.75076	1.7
476.25925	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79126	1.3
59.01379	22.0
64.69849	1.3
65.98058	1.2
69.03493	1.2
71.01387	7.3
73.02935	1.8
82.97527	1.5
85.02956	6.9
89.02428	1.7
90.12457	1.2
90.13103	1.3
93.03476	1.5
95.05019	6.0
97.02908	2.0
97.06599	3.1
101.02453	1.8
107.05048	8.1
109.02928	1.8
111.04491	2.0
113.02423	6.4
113.78273	1.7
115.03989	2.4
123.04527	2.7
125.06078	60.9
137.06056	2.0
139.04002	2.8
149.06096	1.8
151.03972	2.2
161.04590	2.4
169.03613	3.3
169.05058	100.0
181.04979	1.7
205.08719	2.6
211.06129	3.3
223.09773	1.7
232.59146	1.7
234.78134	1.6
249.07510	11.6
265.10883	2.7
267.08685	17.5
281.10391	2.3
309.09854	18.9
339.11047	3.0
397.16882	1.5
416.23785	8.5
458.39911	1.7
468.75076	1.7
476.25925	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.8
60.01712	1.2
61.98820	1.3
71.01369	4.7
83.04998	1.0
85.02926	1.3
89.02434	1.7
101.02420	0.9
105.11761	0.9
108.19488	1.0
110.11670	0.8
113.02444	100.0
114.02776	0.9
127.03969	0.9
145.02985	1.0
151.18126	0.8
175.23619	0.9
196.41873	1.0
205.66791	0.9
229.42424	0.9
476.25800	6.0
483.17355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49206	0.9
51.52358	0.8
62.81792	1.1
66.44251	0.9
71.01353	1.1
73.02934	1.7
75.52658	0.9
78.68847	0.8
78.95911	11.8
109.22929	1.0
113.86653	0.8
125.72866	0.9
152.99554	1.5
171.00603	2.2
197.58582	1.0
209.90619	1.0
223.20557	1.4
242.43910	1.0
253.21761	4.7
263.50699	1.1
308.26050	1.3
316.13583	1.7
326.12064	1.4
344.12830	4.6
355.08304	1.6
355.12250	7.4
356.12851	5.6
356.27927	1.5
358.10849	1.2
370.14615	1.5
372.12430	1.4
383.11563	1.9
384.12393	100.0
399.14792	20.5
402.17197	1.2
414.17151	82.2
415.14175	1.1
476.17435	2.4
476.27634	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33314	0.9
59.01357	1.1
61.47298	1.1
61.98814	1.5
66.64857	1.1
71.01695	1.0
82.06592	1.1
84.04565	2.7
86.02478	26.2
87.96759	1.1
92.22511	1.3
102.05609	28.4
102.30653	1.1
104.06769	1.0
128.03532	92.4
130.08722	7.9
146.04584	24.8
149.44456	1.2
155.08286	7.3
169.13434	1.7
190.08704	1.9
197.12973	2.0
215.14001	2.9
216.06744	10.9
216.14049	1.8
242.11884	14.6
259.14597	2.1
285.16150	1.8
347.16058	14.1
418.52255	1.4
432.21503	1.4
443.12704	1.2
476.20425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58086	0.8
59.01366	1.2
61.98823	1.5
64.52425	0.9
82.06610	1.4
84.04516	2.4
86.02477	23.3
91.05537	1.1
93.04574	1.2
102.05598	20.5
114.05584	4.1
128.03542	71.0
129.10342	1.7
130.08699	5.3
134.51231	1.0
146.03523	2.0
146.04582	23.1
155.08215	5.4
165.43707	1.1
169.13449	1.5
171.15012	1.1
188.11951	4.6
193.49152	1.1
194.53691	1.1
198.12714	1.1
204.11301	1.4
215.14023	2.6
216.06598	6.7
228.06728	1.2
232.10828	2.6
242.11943	13.7
259.14731	1.6
285.16019	1.2
343.59442	1.2
347.16113	14.0
360.14279	1.2
476.20273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05016	0.4
52.71283	0.4
53.95390	0.4
57.31468	0.3
61.10559	0.4
64.43044	0.4
78.95903	100.0
85.50397	0.5
96.96953	8.9
107.77160	0.4
140.01169	0.5
152.99585	29.0
171.00639	42.3
227.47560	0.5
246.12325	0.5
319.73236	0.6
402.24271	2.9
440.59848	0.5
476.27872	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	RKS-1778
Peak:m/z	Relative Intensity
50.25662	0.8
78.95906	99.8
81.27928	1.1
96.96972	8.5
99.38271	1.1
152.28445	1.3
152.99588	29.7
157.78633	1.1
171.00653	47.6
182.70872	1.0
185.50391	1.1
195.00194	1.3
402.24213	2.3
476.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20699	0.7
61.98832	3.2
63.17563	0.7
63.53657	0.7
66.68978	0.7
69.54927	0.8
72.93227	0.8
74.67117	0.6
78.95921	1.9
92.45679	0.7
95.75254	0.7
96.70493	1.0
103.60017	0.7
105.18912	0.7
140.01228	0.9
142.17903	0.7
152.99571	0.9
214.04933	1.8
267.48642	0.8
279.23312	100.0
357.11057	0.8
374.26401	0.9
476.27866	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33032	0.7
58.61283	0.6
78.95903	100.0
81.16928	0.7
84.11756	0.6
86.44118	0.7
94.20537	0.7
96.96945	8.3
104.09605	0.8
152.99583	27.4
165.93446	0.7
171.00638	44.8
393.11191	0.8
402.24100	3.8
476.27875	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11281	0.6
53.52017	0.5
54.67537	0.5
58.83550	0.6
75.33090	0.6
78.95901	10.0
100.26218	0.7
140.01184	7.5
173.65257	0.7
196.03818	9.8
214.04936	1.0
270.46143	0.6
279.23322	100.0
476.27881	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3023
Annotation	Pf 1163a
Peak:m/z	Relative Intensity
54.78562	0.6
57.21405	0.5
57.78577	0.6
58.02979	1.2
72.00916	2.3
78.53041	0.6
83.05040	1.0
86.66605	0.7
91.05543	9.4
99.08139	3.2
104.42175	0.7
135.04524	0.6
147.04523	22.2
152.10922	0.7
152.80176	0.6
161.58304	0.6
164.07184	64.9
170.11884	2.9
182.15474	3.0
192.13951	1.4
210.14993	10.0
286.21838	1.4
476.30219	100.0
482.71228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56528	1.0
55.34093	1.3
57.70978	1.1
58.00603	1.8
59.01384	10.0
61.90372	1.1
64.96383	1.4
69.03447	1.5
71.01379	2.2
73.02947	17.5
78.95927	2.5
80.35607	1.2
84.04548	1.5
85.02953	2.0
86.02484	1.6
94.06629	7.6
106.06625	1.9
114.05579	1.5
138.05592	2.4
140.95984	1.5
156.06683	2.8
174.36507	1.5
180.96503	1.3
223.20801	2.9
253.21741	7.7
365.06693	1.5
420.97656	1.3
458.31174	17.3
476.27390	3.8
476.32391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54831	0.6
59.01382	7.4
60.42690	0.6
85.41811	0.7
91.68897	0.7
104.80449	0.7
107.86833	0.6
110.02475	4.4
122.02499	7.3
123.03263	6.7
136.04033	0.8
138.05614	100.0
142.40524	0.8
164.03535	26.9
234.12325	0.8
281.28445	1.4
476.33920	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08370	1.1
59.01394	11.3
61.68293	1.2
71.01363	9.4
72.99277	1.3
73.02937	2.5
81.03417	1.8
85.02927	1.5
89.02422	3.1
92.23035	1.8
97.02893	1.9
99.00869	5.9
99.92574	34.9
100.93359	32.7
101.02422	7.4
103.71196	1.6
106.05123	1.7
113.02441	2.9
115.03989	8.5
115.92059	51.2
116.92850	55.2
126.94884	3.5
141.76303	1.6
142.94446	3.4
143.83633	1.5
154.98022	6.1
161.04556	3.2
168.96007	6.1
170.93910	10.5
171.94615	1.8
181.05074	10.3
195.06667	3.1
198.96994	12.6
199.97885	2.8
200.98615	7.4
203.08601	1.4
209.83592	1.7
279.10776	10.6
441.04916	9.2
459.06036	3.4
477.07071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85579	0.8
52.74596	0.7
53.54305	0.8
59.01384	5.2
59.99634	0.8
61.02267	0.8
73.02960	0.9
77.83713	0.9
81.03458	2.2
83.05023	4.3
83.87358	0.9
85.02948	7.2
100.75626	0.9
100.93356	1.0
101.02441	1.3
109.02943	1.4
111.04507	44.2
111.05272	1.5
115.04004	8.6
116.07159	1.6
116.92868	1.1
127.04008	100.0
135.04521	31.4
137.02440	6.8
147.04536	4.1
155.03500	63.6
168.12221	1.0
179.03473	10.5
199.02502	73.4
231.89815	1.0
233.08159	20.5
277.07202	1.1
298.91650	1.0
391.74631	1.0
407.20068	1.1
441.58640	1.3
477.10818	9.2
477.97913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85579	0.8
52.74596	0.7
53.54305	0.8
59.01384	5.2
59.99634	0.8
61.02267	0.8
73.02960	0.9
77.83713	0.9
81.03458	2.2
83.05023	4.3
83.87358	0.9
85.02948	7.2
100.75626	0.9
100.93356	1.0
101.02441	1.3
109.02943	1.4
111.04507	44.2
111.05272	1.5
115.04004	8.6
116.07159	1.6
116.92868	1.1
127.04008	100.0
135.04521	31.4
137.02440	6.8
147.04536	4.1
155.03500	63.6
168.12221	1.0
179.03473	10.5
199.02502	73.4
231.89815	1.0
233.08159	20.5
277.07202	1.1
298.91650	1.0
391.74631	1.0
407.20068	1.1
441.58640	1.3
477.10818	9.2
477.97913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61033	1.1
59.01378	5.6
60.44075	1.0
62.14384	1.2
70.03736	1.2
77.65678	1.1
81.03450	5.0
83.05031	3.0
85.02946	12.1
87.89446	1.1
88.72193	1.4
93.03454	2.5
95.88860	1.0
96.96009	2.6
111.04509	50.1
127.04009	100.0
135.04523	27.4
137.02444	5.3
147.04570	1.9
155.03505	67.7
173.46466	1.4
179.03510	12.1
199.02492	87.8
201.11328	1.5
217.03638	1.9
217.08623	2.6
233.08234	20.5
277.07196	2.8
361.22290	1.9
409.16638	1.3
477.10324	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
69.85374	0.8
71.01377	2.1
72.99323	6.5
73.02958	1.2
88.98797	1.4
89.02444	4.0
101.02432	4.1
113.02406	1.5
130.29977	1.1
133.02945	1.9
134.03740	1.9
135.04521	57.9
161.02441	65.1
178.02753	1.5
179.03506	55.0
263.09225	1.5
264.56064	0.9
315.15060	0.9
344.49054	0.9
441.14075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32484	0.8
57.03429	1.0
59.01381	3.8
60.43723	0.8
69.03457	1.1
70.49202	0.9
71.01386	2.5
71.84464	0.8
81.13767	1.0
83.01379	4.3
89.02447	2.3
97.02975	1.5
101.02502	3.1
107.01379	4.5
111.51078	0.9
119.03463	1.4
119.21407	0.9
125.02435	41.1
127.04041	1.4
127.05142	1.2
145.06166	1.1
149.02449	1.3
151.00375	61.4
152.01158	6.4
153.01944	4.4
155.03566	1.0
169.01433	28.5
175.00377	7.5
193.01381	6.9
270.35895	1.1
277.09296	1.4
284.27576	1.0
371.83337	1.1
387.18628	1.3
477.12558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31862	1.1
55.84622	1.2
56.78699	1.4
58.52697	1.3
72.99303	32.6
73.02941	29.2
86.43421	1.4
99.00856	2.5
117.01130	3.2
117.01942	88.9
123.04538	5.3
135.04506	9.6
179.03526	40.2
191.05634	2.3
197.04582	100.0
235.13234	1.9
235.19000	1.7
259.81326	1.8
289.77774	1.6
359.09885	96.4
477.17239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04084	2.3
57.95160	2.1
72.99298	30.9
73.02935	34.4
76.81215	2.7
78.09075	2.4
81.41911	2.4
81.98045	2.4
99.00905	3.0
102.94440	2.5
115.00377	12.5
117.01929	97.2
123.04511	5.4
128.13857	2.6
133.01408	35.2
135.04526	9.4
136.69450	2.9
179.03514	47.8
197.04576	100.0
197.59859	2.5
229.62140	3.2
255.10301	2.7
270.11456	4.9
271.11731	14.8
359.09869	81.1
433.16867	2.9
477.15878	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17492	0.5
50.17743	0.5
50.88999	0.5
51.10894	0.5
52.50067	0.7
59.01386	8.2
71.01382	7.4
73.02928	1.4
78.08511	0.6
83.01373	0.7
85.02957	2.7
87.00887	0.7
89.02457	6.3
97.02943	0.7
101.02443	5.7
108.02184	11.0
109.02944	20.0
113.02445	3.6
119.03455	1.2
119.16233	0.7
125.02418	1.1
151.04050	1.5
152.01151	66.0
153.01941	26.0
165.01901	2.9
424.27283	0.9
470.06342	0.8
477.12534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47349	0.9
59.01372	7.4
65.56427	1.0
67.61486	0.8
71.01378	6.3
83.01365	1.1
85.02940	5.6
89.02426	5.0
99.00859	4.3
101.02439	7.6
108.02161	13.4
109.02936	14.5
113.02425	6.8
121.02888	1.6
151.03983	1.2
152.01141	69.6
153.01930	32.0
188.48956	1.1
315.07251	1.4
477.12503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01375	5.3
62.75141	0.8
64.73613	0.7
65.00324	1.5
67.14036	0.8
71.01374	3.5
83.01392	2.1
89.02439	1.5
93.38343	0.8
96.96983	1.0
99.00768	1.1
101.02445	0.8
107.01363	2.1
111.04523	0.8
113.02424	6.0
125.02443	44.7
138.05638	1.2
149.02362	1.3
151.00374	66.8
167.03505	2.1
168.00580	1.1
169.01431	30.9
175.00383	8.0
175.71213	0.9
193.01419	7.7
205.06311	1.0
209.25668	1.1
211.02480	3.3
228.04358	0.9
277.54352	0.9
369.81622	1.1
477.12506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48497	0.6
57.03440	0.8
59.01373	5.4
71.01369	1.1
78.95890	0.8
79.59283	0.8
83.01381	3.7
89.02423	1.3
96.95998	0.7
96.96952	2.9
101.02441	1.3
107.01381	4.0
113.02419	1.1
116.07128	1.5
116.95461	0.6
125.02449	45.9
131.12039	0.7
132.57074	0.7
137.02414	0.7
139.04042	1.5
149.02457	0.8
151.00375	73.6
167.03395	1.5
168.00734	1.2
169.01436	32.4
175.00380	7.7
183.52444	0.6
193.01474	6.5
211.02492	3.1
269.79156	0.7
417.17688	1.5
464.95459	0.8
477.12567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
66.48607	2.1
71.01377	69.9
72.99306	29.2
87.00870	34.4
89.02415	2.4
96.96003	2.6
101.02439	4.3
108.02180	4.9
109.02910	3.3
115.00349	14.1
117.01928	3.3
123.04517	13.5
129.01912	3.9
131.04639	2.7
133.01422	3.2
135.02962	3.4
147.02997	56.0
151.05125	8.8
152.01132	27.9
153.01953	5.6
167.03499	100.0
168.09418	2.7
179.03551	3.3
197.04568	15.6
219.46056	2.6
280.13095	2.4
359.09821	3.6
477.12030	25.4
477.18442	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1407
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
55.26460	0.7
58.95808	0.6
59.01383	9.2
62.88277	0.6
63.79079	0.7
71.01368	4.1
88.33222	0.7
89.02445	6.5
101.02438	4.4
113.02433	1.6
115.04002	1.0
119.03477	0.9
131.91122	0.7
133.02956	7.0
135.04539	13.2
161.02443	100.0
179.03477	3.4
315.10971	1.2
448.67303	0.8
477.14069	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1411
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
59.01384	16.0
59.74773	0.8
71.01368	7.6
79.95802	1.0
85.02911	0.9
89.02444	6.9
90.45970	0.9
99.08191	1.6
101.02441	5.0
101.56462	0.8
113.02440	3.9
120.99652	7.8
131.52310	0.9
135.04485	5.4
136.01660	100.0
137.02446	45.1
145.08717	5.2
153.05574	4.2
161.02443	3.7
161.06030	1.3
174.51990	0.9
174.79602	1.0
179.03484	9.9
196.63586	1.0
297.07724	51.7
315.08765	5.3
343.21225	1.8
417.25223	2.0
477.13928	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39222	0.3
53.35449	0.4
59.01377	1.9
72.99321	0.5
75.00869	17.5
87.00866	0.5
89.02438	2.5
117.01923	3.5
127.60649	0.5
133.01430	1.0
135.03000	100.0
191.05766	0.6
281.95245	0.4
310.73166	0.4
341.10849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18129	0.3
59.01380	2.0
71.01385	0.7
72.99307	0.7
75.00870	17.8
85.46271	0.3
85.74966	0.3
89.02435	2.4
94.09767	0.4
98.67153	0.4
103.50897	0.4
117.01931	2.5
127.04026	0.6
133.01451	0.7
133.05096	0.4
135.03000	100.0
140.51260	0.4
148.70885	0.4
179.05571	0.5
191.05632	1.0
195.71257	0.4
199.02556	0.6
240.56316	0.4
262.88809	0.4
360.77216	0.5
477.12646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1621
Annotation	Scroside D
Peak:m/z	Relative Intensity
57.84294	1.2
59.01382	45.1
59.88134	1.3
66.28567	1.2
70.31052	1.3
70.57396	1.4
71.01382	34.3
72.99304	1.8
73.02946	3.2
74.86423	1.3
75.95083	1.4
85.02950	2.2
87.00865	2.7
89.02437	54.9
89.02960	2.3
95.01401	2.5
96.96977	1.9
101.02439	34.3
108.02131	1.8
113.02435	22.7
119.03503	24.9
120.01285	1.5
123.04490	2.3
129.01968	2.1
131.03519	6.3
135.04524	49.4
146.03650	1.7
153.01956	5.8
153.05574	8.8
153.35793	1.5
153.70850	1.4
161.04561	6.1
167.03532	9.6
177.18562	1.5
179.05612	2.0
217.08830	1.8
221.06699	9.0
242.41719	1.7
242.95499	1.8
244.58691	1.6
269.47623	1.6
315.10880	97.4
441.16263	2.6
477.16284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1618
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
50.12550	0.8
50.47938	0.8
52.25579	0.8
58.60104	0.9
59.01377	8.0
61.70713	0.9
71.01379	76.4
72.99300	29.4
73.02917	0.9
81.12785	0.9
85.02971	1.9
86.55979	1.0
89.02425	7.1
95.14697	0.9
97.02925	1.3
101.02442	9.9
112.60925	1.0
113.02425	5.1
115.00364	29.3
133.01457	1.8
161.04575	4.2
168.19920	0.9
200.98311	1.1
231.06618	2.2
243.06754	1.7
254.34309	1.0
263.11368	14.7
287.05560	1.7
305.06677	1.1
403.10507	2.1
459.09799	1.1
459.15039	9.7
466.60492	1.0
477.10471	6.0
477.16217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47698	0.6
54.05091	0.5
54.47667	0.5
59.01372	1.1
71.01379	41.1
71.90294	0.7
71.93131	0.6
78.68035	0.7
78.95940	1.0
84.35507	0.7
84.67419	0.6
90.71651	0.6
95.30371	0.7
96.96967	4.8
103.00361	3.0
113.02420	0.8
115.00366	100.0
115.04028	1.7
129.07043	0.9
214.79671	0.7
477.12637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Scroside D
Peak:m/z	Relative Intensity
56.37208	1.6
58.02816	1.5
58.73470	1.5
59.01382	18.4
59.74596	1.3
71.01378	100.0
72.99314	14.4
73.02949	4.3
85.02948	4.0
89.02435	11.7
99.00875	1.5
101.02438	25.8
112.54537	1.8
113.02450	12.3
115.00367	14.6
119.03504	7.7
133.01469	3.9
136.45940	1.7
137.77696	1.8
161.04587	9.3
175.25821	1.7
205.68526	1.7
223.28069	1.9
263.08728	2.8
263.11377	57.1
318.27173	2.0
459.15067	9.9
477.16199	62.2
477.22821	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1622
Annotation	Scroside D
Peak:m/z	Relative Intensity
51.91047	1.1
53.50338	1.0
53.91218	1.1
58.14702	1.1
59.01384	31.4
63.05509	1.8
71.01389	17.4
72.99296	6.3
75.97775	1.3
76.34629	1.6
84.23847	1.2
85.02951	10.0
89.02441	14.0
95.01381	2.3
99.00872	11.1
101.02438	11.0
113.02438	28.3
115.00371	3.4
115.92043	1.5
116.92786	1.8
119.03472	2.1
123.04501	7.4
131.03403	2.0
133.01436	17.3
135.04546	14.2
138.50432	1.3
149.04558	2.6
150.03203	7.1
151.04018	14.3
153.05579	8.7
161.04556	2.5
164.04710	6.2
166.02707	28.1
178.65997	1.4
179.03432	5.2
179.07121	2.3
180.03909	1.6
181.05075	54.4
197.04584	10.3
208.03755	1.5
223.06224	2.3
228.45782	1.5
315.10696	3.0
384.53391	1.7
445.13580	13.8
477.16122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83721	0.9
58.54217	1.1
59.01386	10.7
59.52325	1.2
63.38662	1.0
68.99574	68.7
71.01378	39.6
72.99297	2.9
73.02949	2.7
85.02951	6.2
85.89891	1.2
87.00864	1.7
88.98808	2.3
89.02450	9.1
93.21184	1.2
99.00888	1.3
101.02434	14.8
106.65241	1.3
112.98566	100.0
113.02428	11.2
113.86305	1.3
115.00363	2.4
115.03992	1.7
119.03539	4.5
153.26830	1.2
176.91644	1.3
182.29730	1.3
193.07368	1.2
197.04518	1.4
244.65967	1.2
263.11377	17.1
265.22375	1.3
379.15390	1.3
389.12872	1.9
406.15884	1.3
448.05725	1.3
477.15784	21.0
477.23462	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46267	1.0
55.66661	1.0
57.84046	1.0
60.05635	0.9
61.03053	0.8
63.62112	0.9
71.01377	45.6
79.76961	1.1
97.02943	5.1
108.28054	1.1
109.65239	1.1
114.18986	1.2
115.00365	100.0
115.04008	19.3
157.03203	1.2
221.08592	1.5
256.44183	1.1
379.46878	1.2
402.38602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
52.42843	1.0
59.01382	13.1
71.01379	90.7
72.99308	29.2
73.02935	1.5
79.51425	1.0
85.02957	2.2
89.02430	7.1
97.02910	1.3
101.02431	10.5
108.49239	1.1
113.02461	5.0
115.00356	30.6
119.03468	2.0
133.01381	2.1
161.04575	1.3
174.03580	1.2
198.58128	1.3
208.05806	1.1
263.11389	13.5
459.15039	13.8
477.16193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88319	1.6
59.01378	15.2
71.01375	26.1
72.99308	45.3
75.00875	2.5
87.00872	8.6
89.02438	11.5
101.02444	3.3
108.02151	2.1
113.02470	2.4
115.00349	3.9
119.03516	2.1
123.04517	27.1
133.01453	2.8
135.03024	2.8
135.04552	20.2
147.03000	25.0
149.19897	2.0
151.04030	2.5
151.05133	2.3
152.01198	14.3
153.01807	1.9
167.03484	34.0
179.03500	42.0
197.04568	100.0
224.34706	2.1
245.46283	1.9
279.10876	29.6
477.12262	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22676	1.0
59.01391	10.1
71.01379	7.2
71.40337	1.2
72.99306	53.1
76.05153	1.2
82.00901	1.4
89.02432	12.9
89.23777	1.3
101.02419	5.1
109.02949	2.0
113.02460	3.2
115.00360	4.7
117.01920	2.9
119.03492	2.9
123.04510	20.9
129.01918	3.0
133.01398	10.5
135.04535	27.8
147.02966	2.0
179.03494	48.4
183.09229	1.6
197.04568	100.0
204.41905	1.4
215.05566	1.7
279.10876	34.2
359.09897	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
59.01375	20.9
60.06250	0.8
68.99569	6.0
71.01378	99.9
72.99305	32.3
83.01437	1.1
85.02947	4.2
86.82726	0.9
87.00860	4.4
88.41894	0.9
88.98790	1.2
89.02438	13.1
97.02933	2.1
101.02447	9.7
112.98554	10.1
113.02408	8.4
115.00365	31.8
115.01170	1.0
115.04012	4.3
119.03472	4.3
133.01428	2.4
161.04623	1.8
179.05626	1.4
263.11365	7.0
278.79840	1.0
292.77957	1.1
337.02594	1.1
359.33563	1.1
379.16364	1.6
459.15088	9.2
477.16211	100.0
477.23306	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10449	1.0
52.36203	0.9
52.36448	0.8
55.15384	0.8
59.01376	7.7
61.42336	0.7
71.01387	5.9
71.43918	0.8
72.99305	50.4
75.00860	1.2
84.44788	1.0
86.93342	0.9
89.02439	9.3
101.02446	5.3
113.02457	1.4
116.40793	1.0
119.03476	4.3
123.04517	19.3
135.04526	27.4
179.03506	53.7
197.04578	100.0
268.87863	1.1
279.10864	28.0
342.20480	1.1
351.17722	1.2
424.84348	1.1
504.66388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.6
71.01378	19.5
72.99303	65.0
81.33095	2.6
87.00860	3.5
87.48472	2.2
89.02457	14.7
101.02439	5.5
109.02944	3.0
113.02417	4.1
115.00347	3.0
119.03519	3.2
123.04507	24.5
135.04562	25.0
137.91106	2.3
147.02959	19.0
152.01166	18.5
153.01915	3.7
167.03477	20.9
179.03491	49.4
180.89140	2.4
197.04567	100.0
279.10901	37.2
369.65344	2.4
477.12576	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74783	1.6
59.01381	19.6
60.20496	1.8
65.32952	1.6
80.63943	1.5
87.00865	49.3
89.83997	1.7
94.83195	1.7
112.42260	1.7
113.02416	1.9
115.00320	2.8
120.99667	3.1
133.01450	10.0
147.68179	1.7
174.05676	1.7
175.03999	2.8
180.26024	1.8
203.05783	2.0
280.80865	1.7
285.11301	3.7
299.09262	3.2
313.10770	3.9
324.10095	3.0
324.24799	2.0
325.10910	3.8
326.11600	2.5
329.10287	39.0
341.10370	51.1
343.21133	7.8
344.12701	87.7
356.12729	25.4
359.15036	100.0
371.15009	45.4
371.19391	2.6
387.15753	3.4
389.15726	2.3
477.17834	42.1
477.24240	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12115	0.5
59.01370	2.7
59.31056	0.6
71.01401	0.6
75.00858	3.3
78.95903	0.7
85.02960	0.8
110.66486	0.7
134.43086	0.6
146.03674	0.7
148.01643	10.7
151.64713	0.6
151.65829	0.6
152.99579	1.5
157.06567	0.7
160.01558	1.2
161.02393	1.3
162.03221	3.6
169.08762	0.7
170.23380	0.6
173.02437	13.6
174.03288	4.5
189.09184	2.6
194.02158	2.9
201.11360	0.7
201.64481	0.6
216.07884	1.0
217.08690	100.0
243.10463	0.7
258.92456	0.7
259.09738	0.7
379.14151	1.3
389.73114	0.7
477.17416	16.3
477.27475	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01384	2.9
63.00934	0.2
63.95058	0.2
71.01382	4.0
71.23703	0.2
73.02949	1.7
75.00861	0.4
78.95885	0.3
85.02951	2.2
86.06103	0.3
89.02429	1.0
97.02938	0.6
99.00903	0.3
99.70636	0.3
101.02440	4.1
113.02432	1.7
115.03986	1.1
136.76201	0.2
137.02548	0.3
146.03760	0.6
148.01665	9.1
152.99593	1.5
159.03081	0.3
160.01642	0.5
161.02477	1.4
161.04594	1.1
162.03201	3.4
173.02434	15.5
173.09744	0.4
174.03233	4.5
174.06860	0.3
186.03174	0.3
189.09200	2.3
194.02225	2.4
216.07889	2.1
217.08710	100.0
241.08733	1.4
243.10172	0.3
259.09814	0.6
315.18173	1.0
363.95090	0.4
379.13867	1.7
477.17697	14.9
477.23651	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1955
Annotation	Rhodamine 6G
Peak:m/z	Relative Intensity
51.24827	1.0
62.30220	1.3
71.55793	1.2
91.30347	1.3
93.62894	1.2
99.92577	49.5
100.93353	27.3
115.92066	44.0
116.92854	10.5
124.96999	4.9
129.00385	1.2
152.96451	5.1
191.23474	1.2
191.45563	1.3
196.95421	10.4
199.21581	1.3
252.35234	1.4
261.80090	1.5
279.23300	37.6
379.15671	1.9
393.65137	1.3
438.01184	1.6
477.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84723	0.9
58.10251	0.9
58.10510	0.9
59.01379	9.6
60.99314	10.4
64.28724	1.1
71.01379	7.6
73.02949	1.2
77.17671	1.3
81.57564	1.0
84.77344	1.1
85.02967	1.2
87.00867	5.4
88.98798	100.0
89.02435	89.6
90.79024	1.0
97.02962	2.7
101.02419	1.8
113.02413	1.3
115.04004	17.5
358.23886	1.3
477.14252	1.6
477.23486	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92472	0.5
57.30697	0.5
59.01384	2.8
68.07294	0.6
71.01381	8.8
71.05019	2.6
72.99362	0.7
73.02930	0.8
84.30898	0.5
85.02966	6.0
87.30510	0.5
89.02431	1.3
97.02943	18.3
99.00861	2.1
101.02435	1.3
113.02478	0.7
115.00371	10.6
115.04002	100.0
117.01932	0.8
117.02767	0.5
161.04535	0.6
167.57033	0.5
204.59753	0.6
279.10898	1.3
304.66873	0.5
327.70923	0.6
477.15488	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73161	1.3
56.91534	1.2
59.01383	47.1
62.76902	1.2
68.99556	5.5
71.01378	49.8
72.99298	4.7
73.02941	9.1
83.01385	1.8
83.81190	1.3
85.02943	12.7
85.32427	1.7
87.00859	6.4
88.98787	2.0
89.02446	30.9
97.02947	2.3
99.00874	2.7
101.02444	30.4
112.98571	7.2
113.02446	14.3
115.00343	1.8
119.03525	5.0
129.01952	6.0
131.03493	9.6
147.02965	12.5
149.04448	1.8
151.37199	1.4
161.04608	1.7
167.10744	2.5
174.05220	1.4
191.05666	6.2
225.05434	1.7
279.46536	1.5
319.14020	6.3
373.21777	1.8
403.10434	2.4
477.19202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50772	0.5
55.01887	0.7
55.88933	0.6
59.01382	69.2
71.01379	8.3
73.02950	4.4
85.02942	2.9
87.91802	0.6
89.02445	2.4
101.02429	5.8
113.02435	4.7
113.94106	0.6
115.04057	1.2
121.02943	1.2
133.05087	2.4
147.55006	0.7
152.01134	1.5
161.04544	12.7
166.06351	67.0
179.25227	0.6
181.08710	100.0
202.29259	0.6
235.08289	9.0
276.51279	0.6
288.79181	0.6
417.17703	45.1
477.12665	1.4
479.65222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	41.9
70.22776	0.7
71.01376	31.4
72.99336	1.4
73.02939	11.2
79.16331	0.9
85.02934	3.9
87.00867	1.6
89.02438	49.6
90.98580	2.1
92.23129	0.9
95.01357	1.2
97.02956	1.5
99.00873	51.0
101.02438	17.8
113.02451	21.4
115.03967	4.0
119.03506	10.6
131.03502	8.9
131.04501	1.3
131.21609	1.0
135.98352	1.6
145.08667	1.3
149.04550	8.8
161.04555	2.5
175.03836	1.1
179.05605	4.2
191.05640	11.0
233.06673	2.0
247.11713	1.4
356.62500	1.0
379.16156	100.0
477.13608	1.3
477.23557	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37713	0.6
59.01382	100.0
59.58109	0.6
61.90001	0.6
61.98841	1.0
64.55832	0.6
71.01371	0.7
120.05390	0.7
126.83752	0.7
137.60323	0.7
171.24712	0.7
197.53302	0.7
216.99431	0.8
287.22455	1.0
296.46796	0.7
477.18967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2267
Annotation	Oblongixanthone C
Peak:m/z	Relative Intensity
59.01375	7.6
61.98822	1.6
65.17219	1.3
71.08487	1.4
78.95896	9.2
88.19938	1.6
93.03461	3.2
94.98045	7.9
107.30706	1.8
152.99577	34.5
161.75314	1.7
162.27507	1.6
165.01953	2.4
227.03229	3.4
241.32814	1.9
249.15956	2.4
249.18597	78.2
477.22574	100.0
477.29269	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	4.8
59.01383	100.0
71.01369	31.6
77.89159	2.2
78.18777	2.2
85.02950	3.7
89.02439	52.2
101.02444	25.1
107.73574	2.2
113.02409	15.6
119.03494	15.4
119.30903	2.2
132.85568	2.3
133.01413	3.3
135.01857	2.7
143.03510	3.0
155.17570	2.6
179.03682	2.2
179.04039	2.6
179.05608	31.5
188.28975	2.5
194.10756	2.6
221.29602	3.0
417.21323	27.3
477.23621	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
54.06708	0.7
54.41675	0.6
55.01878	2.1
57.92153	0.7
58.28477	0.8
59.01105	1.3
59.01381	24.2
65.62131	0.7
69.37408	0.7
71.01012	1.4
71.01381	32.7
72.99306	1.3
73.02952	12.8
83.01376	5.1
85.02946	15.9
87.00855	1.4
89.02443	9.5
92.72895	0.7
95.01394	1.6
99.00854	3.3
101.02441	36.6
113.02448	20.0
119.03471	1.1
125.02421	1.6
143.03532	0.9
153.77634	0.9
155.56381	1.2
159.02963	4.3
161.04561	15.0
170.62430	0.8
188.90822	1.2
294.13849	0.9
315.18262	10.5
341.53226	0.9
349.67050	0.9
417.24866	1.1
477.23410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55754	1.0
55.01891	1.8
57.03435	1.3
59.01384	20.2
67.15062	1.1
71.01384	30.8
71.63303	1.3
73.02940	14.4
78.95914	4.6
83.01392	3.0
85.02943	15.9
86.02507	1.5
89.02438	9.7
92.25812	1.3
95.01402	1.6
97.02956	1.1
99.00887	5.6
101.02443	37.7
102.05615	1.8
113.02423	17.4
125.02444	1.7
127.81057	1.1
128.03549	6.8
131.03447	1.5
131.80661	1.2
146.04623	1.5
152.99603	9.8
159.03015	2.2
161.04544	15.7
188.11928	1.3
217.08664	10.9
220.41841	1.5
310.13815	1.3
315.18271	13.2
477.23605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2348
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
53.30394	0.8
55.01881	4.5
56.82940	0.9
57.03435	1.9
59.01387	31.5
71.01380	50.3
72.99301	1.6
73.02947	16.9
75.00862	10.4
78.95921	1.1
83.01369	6.7
85.02479	1.7
85.02947	27.4
87.00857	2.5
89.02443	16.2
95.01356	4.2
97.02892	1.5
99.00852	6.1
101.02445	46.4
104.39465	1.0
113.02450	26.1
119.03471	2.4
125.02423	2.2
131.20561	1.1
137.02325	1.0
149.04573	1.2
152.99550	2.3
159.02953	2.7
161.04552	18.8
179.05528	2.2
217.08691	2.2
251.72879	1.4
315.18283	12.4
361.04630	1.1
477.23270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
56.36394	0.9
57.03430	1.4
57.76683	1.1
59.01379	41.1
68.46846	1.0
71.01378	40.5
73.02945	12.9
83.01376	7.2
85.02950	25.0
87.00846	1.7
89.02444	16.6
92.22491	1.5
95.01360	4.8
98.99242	1.4
99.00869	6.2
101.01763	2.5
101.02432	50.0
112.62248	1.3
113.02447	23.9
119.03498	7.3
125.71711	1.3
143.03462	1.7
145.02997	1.3
155.47552	1.2
159.02931	1.4
161.04565	11.0
165.00926	1.3
315.18216	13.2
329.23230	1.9
463.14478	1.4
477.23370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
55.66669	0.9
56.29936	1.0
57.03452	2.0
58.99641	1.0
59.01380	89.9
68.97756	1.0
71.01375	60.6
73.02937	21.0
75.00861	2.5
75.01326	0.9
83.01376	9.8
85.02940	27.0
87.00858	2.4
89.02435	23.4
95.01381	6.6
97.02976	2.0
99.00880	7.7
101.02438	56.3
105.01862	1.1
113.02442	33.3
119.03490	6.9
124.26974	1.2
125.02396	2.1
143.03479	1.6
152.99564	5.2
159.02965	5.3
161.04547	18.2
165.24730	1.0
179.05666	2.1
183.04524	15.5
197.04958	1.0
221.66888	1.5
241.07300	1.1
243.20081	1.4
248.16505	1.2
315.18207	10.6
375.92801	1.3
410.56537	1.1
417.24991	100.0
474.58939	1.2
477.23532	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17212	1.9
57.03442	2.0
58.01600	1.7
59.01363	1.7
59.38324	1.8
59.65232	1.7
61.98836	31.0
62.00782	1.7
72.17841	1.8
89.87197	1.9
91.20757	1.9
116.87411	2.2
135.91251	2.1
150.03183	3.2
152.99591	3.3
167.75871	2.5
178.02675	17.9
192.04298	2.7
273.15018	4.2
287.16553	26.0
297.15079	5.0
315.16071	40.0
406.78778	2.6
441.26465	100.0
477.32446	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56661	2.5
61.98823	2.9
80.25403	3.0
83.05026	99.0
85.02940	4.8
91.52216	3.3
97.02945	22.6
99.04519	5.1
100.10525	3.7
109.02952	45.0
111.04528	34.3
113.02448	30.3
127.04015	92.3
137.41696	3.8
154.22829	3.0
155.03484	17.7
169.01424	21.4
171.03017	57.8
199.02502	100.0
277.18030	3.4
347.25949	43.7
375.29074	19.1
391.51828	3.6
397.27609	8.1
415.28625	6.2
419.28122	6.4
433.29767	39.9
477.28540	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48938	3.6
56.75684	3.7
59.01369	4.4
59.45157	4.4
68.36884	5.1
68.78713	4.0
78.51525	5.0
79.32309	4.0
137.99562	5.0
152.99579	18.7
179.09148	5.4
203.28651	6.1
244.25702	5.4
255.23331	100.0
288.68427	4.9
458.50882	4.9
477.25806	25.4
481.62656	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01675	7.3
70.81744	7.6
73.49413	8.8
74.51727	7.8
83.98104	8.6
88.65102	9.8
92.99771	8.3
99.92696	9.4
116.79427	9.1
119.46610	9.2
143.18121	8.9
218.35010	11.0
252.71936	9.7
279.23273	100.0
338.83514	10.6
372.20810	10.9
422.90897	10.9
426.11862	11.3
450.70425	9.7
477.26215	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2629
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
54.65701	13.2
58.47411	13.9
68.95956	12.5
74.02477	19.3
78.95940	15.6
79.53890	15.5
81.93007	17.6
96.25512	15.3
143.11887	21.0
441.26367	19.5
477.26392	100.0
477.32791	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2632
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
59.01400	2.4
61.94583	2.1
65.13958	1.9
78.95916	14.3
90.33283	1.9
96.95273	1.8
96.95995	11.1
96.96941	3.2
108.42018	2.3
110.37352	2.3
113.09752	2.8
125.00090	4.8
133.66528	2.5
171.10289	13.2
181.02701	9.9
195.13919	23.6
277.21823	36.9
295.22809	73.9
477.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23729	2.4
59.62737	2.3
65.62980	2.7
69.80243	2.7
78.95892	20.3
101.96487	2.5
120.18817	3.0
125.00118	6.8
125.36586	2.9
133.10139	3.1
136.33519	2.6
152.99599	6.9
171.10274	42.2
177.16202	2.8
181.02757	15.1
277.21744	58.4
277.52969	3.0
295.22787	41.9
436.12589	2.9
477.26270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00620	0.7
54.63465	0.7
55.01884	0.9
57.80324	0.8
59.01383	72.2
62.26202	0.8
71.01379	19.0
73.02946	6.1
83.01388	1.7
85.02952	10.9
89.01961	1.0
89.02441	8.3
95.01379	1.2
97.06124	0.7
99.00911	1.5
101.02449	11.2
113.02454	12.0
119.03481	1.5
160.01651	1.0
161.04538	9.6
175.04012	5.0
217.14166	0.8
295.13559	0.9
366.30710	0.9
417.24988	100.0
439.15952	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69443	1.0
55.01879	1.8
57.03442	1.4
59.01382	72.1
71.01376	40.1
72.71323	1.2
73.02945	10.3
83.01385	3.0
85.02943	17.7
89.02445	15.6
89.50068	1.2
91.03990	1.8
95.01381	2.6
99.00872	5.5
101.02444	32.2
113.02440	20.5
119.03455	5.0
125.02401	1.6
161.04570	11.5
197.59283	1.3
211.97835	1.4
315.17969	3.1
333.27502	1.5
343.21207	5.0
417.24988	100.0
477.23471	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87448	0.7
59.01385	100.0
61.79301	0.7
63.06918	0.9
66.10811	1.0
71.01375	17.5
72.99319	1.1
73.02955	2.0
85.02960	5.0
87.00882	1.6
89.02441	21.3
95.01404	1.8
99.00982	1.0
101.02431	11.7
113.02451	9.0
119.03487	5.1
128.21188	1.2
129.00114	1.2
133.05118	2.0
135.04512	3.6
145.08731	1.4
160.04053	1.3
161.04616	5.5
179.05609	1.2
199.14543	1.0
219.05347	5.6
255.07733	1.1
257.09137	1.1
272.05624	1.8
289.08401	2.0
294.62701	1.0
315.10831	10.4
319.14075	8.1
387.12097	7.8
417.24979	62.6
461.27072	1.1
477.14426	14.6
477.20883	3.5
477.26575	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68708	0.6
59.01382	100.0
65.18777	0.7
65.57752	0.6
71.01379	7.1
72.99327	0.7
73.02907	0.7
77.53233	0.6
83.05031	0.6
85.02966	0.9
87.00873	0.9
89.02462	0.8
98.14411	0.7
101.02442	1.4
110.07803	0.7
113.02454	0.7
209.11861	0.8
288.85367	0.6
317.78574	0.7
343.21274	9.7
361.16605	1.5
432.86407	0.8
459.16388	1.1
477.17691	2.7
477.23349	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85360	1.9
54.45570	2.0
57.21650	2.2
58.66048	2.0
61.93614	1.8
62.07101	2.1
62.82270	2.0
66.31094	2.2
67.01430	2.3
69.49129	2.3
76.20401	2.2
76.20818	2.1
97.40414	2.2
100.16617	2.0
110.10357	2.3
113.02443	100.0
114.04494	2.2
127.07649	2.7
136.05312	2.7
152.99591	2.8
173.08789	2.7
175.79910	2.3
199.26898	2.3
267.16235	3.3
287.17465	2.6
295.19202	3.1
306.18436	14.4
347.25961	14.5
375.29150	46.0
387.29294	2.6
397.27594	9.2
415.28638	12.2
419.28073	39.1
433.29712	4.9
477.28629	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33665	0.5
59.01389	0.7
61.98823	0.8
65.34380	0.5
73.49963	0.5
74.25964	0.5
74.52467	0.5
87.17635	0.5
109.34933	0.6
118.42070	0.5
155.10776	3.0
173.08081	0.5
183.13960	0.6
244.29929	0.7
277.21750	100.0
312.10370	0.7
333.68472	0.6
375.45203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78598	2.5
54.22468	2.4
54.48342	2.3
59.01385	37.4
61.88894	2.0
61.98843	20.5
62.95715	2.3
71.01382	5.3
92.22481	2.7
96.94545	2.8
97.81954	3.0
101.02453	3.7
113.02442	3.9
144.66728	2.8
152.99547	3.5
167.62152	2.7
179.03975	3.0
215.00684	2.7
247.52634	3.2
255.23283	78.6
269.24893	100.0
279.23349	4.0
296.77719	2.8
297.24472	20.1
358.25729	3.0
477.32040	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97518	3.2
55.65295	3.7
57.50644	3.5
59.01376	14.8
64.18158	3.1
71.01383	19.5
85.41326	3.5
86.72391	3.4
96.96017	5.1
100.70180	3.5
106.48686	4.5
125.00122	4.3
146.03171	3.7
255.23323	76.5
265.61838	4.1
269.24893	100.0
279.23392	7.2
297.24384	25.0
395.65179	4.2
437.94846	4.4
477.32816	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13430	0.4
51.19544	0.4
52.63121	0.4
54.63324	0.4
57.28481	0.4
59.01373	0.8
61.98833	100.0
67.88196	0.4
89.14063	0.4
91.84187	0.4
97.68514	0.5
101.06070	3.1
115.78897	0.5
136.12114	0.5
249.18626	2.0
275.16501	0.7
279.30609	0.4
293.17630	5.2
315.15726	6.5
392.34946	0.5
417.22861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3228
Annotation	Dolicholide
Peak:m/z	Relative Intensity
65.32257	3.8
66.33011	3.9
123.35403	4.9
136.93181	4.0
137.09741	9.5
147.08141	8.8
155.10789	96.5
171.10301	18.6
171.15134	6.0
199.09761	25.5
217.10855	68.2
277.21771	59.7
311.86530	5.9
477.31760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76735	0.4
58.74437	0.4
63.38327	0.5
64.97017	0.6
72.42441	0.4
79.95258	1.0
79.95729	26.4
80.96516	2.4
81.50067	0.5
82.14277	0.5
84.27001	0.5
92.23101	0.6
96.95973	0.9
104.07085	0.5
115.82721	0.5
123.61945	0.5
127.11275	0.6
141.12827	1.0
157.12378	0.6
179.03862	1.9
193.05386	6.7
193.09016	0.5
207.06923	0.5
209.09203	0.5
221.08536	100.0
235.10106	6.0
249.11650	0.8
255.23296	3.1
397.34726	1.9
415.35968	7.9
434.16751	0.5
441.73987	0.5
477.36176	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39462	0.3
51.89583	0.4
52.63611	0.3
54.81833	0.4
54.89838	0.3
64.27797	0.5
65.68997	0.4
79.95734	26.7
80.96511	3.2
89.55518	0.4
96.95990	2.1
109.31042	0.4
113.20429	0.4
117.29286	0.4
141.12886	0.8
157.12234	0.7
179.03830	1.9
193.05440	3.9
200.72493	0.4
207.06889	0.6
221.08542	100.0
235.10127	9.5
241.08762	0.6
249.11766	0.6
255.23349	2.8
285.07764	0.9
420.93802	0.5
443.45367	0.4
477.27167	3.0
477.33154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84299	0.6
59.01381	6.7
72.34781	0.6
90.24781	0.7
96.95984	1.1
102.75558	0.7
112.11259	0.6
235.10008	1.2
373.34891	9.0
375.32608	0.8
389.34308	3.3
397.34760	4.0
415.35883	34.2
417.33795	44.4
435.35999	0.9
459.35101	1.1
477.35947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3593
Annotation	25-Methylcastasterone
Peak:m/z	Relative Intensity
50.02936	0.8
57.63462	0.9
71.11637	1.0
73.36266	0.9
77.38232	1.0
79.95740	4.1
109.06605	1.4
123.08159	14.1
137.06201	1.1
207.06871	1.1
221.08569	3.7
235.10147	6.0
237.39053	1.1
385.44168	1.0
391.35828	1.0
397.34784	4.2
415.35818	17.3
433.37027	10.4
459.34747	1.1
477.35971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3595
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
59.01385	20.9
61.23201	3.0
67.08981	2.3
67.10823	2.3
89.37415	2.3
96.95982	5.2
103.59612	2.5
106.18714	2.6
112.02235	3.1
116.47755	2.4
373.34525	3.8
415.35974	25.5
417.33859	34.3
477.30292	20.1
477.36163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.7
81.12471	2.0
83.37119	1.7
84.15343	1.7
88.10183	1.5
92.22492	2.2
186.49042	1.8
252.25890	1.8
290.18719	2.0
293.21118	3.2
373.34717	6.7
395.28552	2.8
415.35760	21.9
417.33844	29.0
477.35965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38528	1.2
51.65671	1.1
61.98820	2.5
62.64608	1.1
62.90893	1.2
66.36146	1.1
74.94332	1.2
76.62943	1.2
85.02943	100.0
92.43306	1.2
92.99140	1.4
107.35806	1.2
129.01938	99.3
138.89960	1.3
152.99625	1.5
159.03355	1.5
168.23468	1.2
188.03557	6.0
192.74785	1.5
309.81137	1.3
333.77841	1.3
478.14636	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40273	1.7
61.98832	4.1
67.97796	1.6
68.99803	13.1
78.79388	1.7
117.03423	2.1
124.23671	1.9
160.04044	8.4
161.02475	1.9
171.10213	2.9
173.02367	2.7
175.04012	9.6
188.03558	42.5
190.05101	81.4
191.07114	2.7
194.08830	2.0
197.19661	2.0
213.05562	18.8
230.08086	2.7
243.10271	7.0
244.09798	8.4
268.57697	1.9
335.05679	3.9
347.07993	2.3
360.12543	2.6
361.05936	4.0
361.77484	2.2
375.07468	26.7
375.11426	2.6
376.11969	4.3
390.09927	15.2
404.11401	32.1
412.89572	2.1
419.06268	4.2
419.14044	13.5
434.10342	3.6
434.16119	100.0
448.10315	3.5
463.12915	2.6
478.15134	31.1
478.21069	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04988	1.3
57.08636	1.4
57.47999	1.6
59.01385	15.9
61.01810	2.0
66.80142	1.4
75.41761	1.4
92.22509	2.0
103.59906	1.7
118.72729	2.0
118.80696	2.1
119.89213	1.5
120.45201	1.5
121.02950	24.0
132.01917	1.6
135.04523	9.0
136.05278	3.6
153.00214	5.6
162.05638	2.1
165.00137	68.1
165.01544	2.5
165.07855	2.3
167.01782	2.6
168.02483	14.1
175.04060	2.2
178.01035	2.4
180.02498	31.2
180.10320	11.2
195.03381	2.7
195.04892	18.6
196.04309	2.2
205.07510	2.6
210.05963	10.4
211.06764	3.7
226.09058	2.1
270.07867	5.6
329.16406	37.5
344.18591	20.7
360.12781	100.0
373.83417	1.6
375.15131	35.0
390.17471	35.2
394.20767	1.8
434.16333	6.1
478.15347	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1568
Annotation	209984-57-6
Peak:m/z	Relative Intensity
54.18273	0.8
59.01387	7.4
59.01612	0.7
60.53757	0.7
61.98832	100.0
63.84373	0.9
65.32880	0.8
68.08308	1.0
71.01379	11.8
72.99290	1.6
82.16897	1.1
89.02435	1.5
101.02458	1.0
115.00383	1.5
136.25536	0.9
157.56598	1.2
175.45691	0.9
191.30290	0.8
199.16762	0.8
220.06024	1.1
228.79919	0.9
257.09305	0.9
270.09866	1.0
273.32758	0.9
315.10159	1.0
388.12326	7.0
406.69055	1.0
478.15692	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73386	0.4
58.85560	0.4
59.01376	6.2
61.98833	100.0
62.66257	0.4
69.66607	0.5
71.01375	2.9
74.70412	0.5
75.74668	0.4
86.99039	0.5
90.02898	0.5
101.02455	0.6
101.35540	0.4
161.04633	0.6
161.08559	0.5
162.50439	0.5
162.64426	0.5
234.97386	0.5
264.11731	1.2
387.15417	0.5
418.25385	3.9
478.16818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35358	0.4
56.86879	0.5
59.01390	2.9
61.98833	100.0
65.57093	0.4
73.04008	0.5
77.41808	0.5
77.85108	0.6
79.72935	0.6
93.62361	0.5
97.48059	0.5
99.39562	0.6
133.58617	0.5
177.05247	0.6
221.23184	0.6
221.25328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66931	1.7
51.12707	1.6
52.26625	1.6
56.48296	1.6
56.79116	1.8
59.01392	31.5
61.98811	3.8
64.04932	1.9
71.01387	40.9
71.05016	2.4
85.02940	4.2
86.42727	2.1
88.04039	4.3
89.02442	14.5
97.20155	2.1
101.02435	13.0
104.22404	2.0
113.02489	4.2
115.04025	17.4
119.03497	8.1
146.08249	88.7
241.05493	2.2
270.38220	2.3
380.15610	42.9
416.16837	2.5
478.19400	100.0
478.26407	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20072	1.1
59.01374	2.2
64.39377	1.2
64.46092	1.4
66.25954	1.4
72.00902	2.6
85.25615	1.3
89.02460	6.7
90.88722	1.5
93.03439	3.0
101.02458	2.4
107.41943	1.3
112.86031	1.3
119.05016	7.8
135.03027	1.4
136.07803	1.4
160.20526	1.5
163.04002	20.2
180.06674	100.0
213.69456	1.5
220.17372	1.6
239.71776	1.6
249.09480	1.9
297.11893	22.7
423.57401	1.5
478.13788	1.7
478.19949	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03112	0.5
59.01380	3.2
59.94393	0.5
61.98832	100.0
65.41357	0.6
72.55254	0.6
119.05019	13.5
120.05357	5.9
160.27472	0.6
163.04001	9.6
164.04341	6.9
168.48651	0.7
229.44774	0.6
296.59613	0.8
418.25461	2.8
448.19516	0.7
454.06216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2603
Annotation	Cytochalasin Z2
Peak:m/z	Relative Intensity
59.43659	1.5
59.76387	1.5
89.37001	1.8
99.00818	1.7
107.95302	1.8
118.06619	2.6
151.11281	2.9
156.48862	1.7
159.66212	1.7
183.82594	1.6
198.09181	2.2
199.07648	11.9
282.57944	1.9
325.20541	15.5
416.25873	4.0
442.23642	2.9
460.24933	53.1
478.26035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45324	0.5
59.13848	0.5
61.98833	100.0
62.99732	0.7
63.26331	0.5
67.92907	0.5
70.41581	0.6
88.88094	0.6
94.02982	1.6
99.92550	1.2
116.92867	4.8
134.70941	0.8
278.21997	1.4
287.48438	0.7
478.19547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70741	0.6
52.93345	0.7
56.46483	0.6
61.28606	0.8
61.49940	0.7
61.98833	100.0
63.80360	0.7
70.10670	0.7
82.23491	0.8
83.02164	0.7
99.92606	1.0
100.93285	0.9
104.95942	0.8
115.92039	1.2
116.16933	0.7
116.74741	0.9
121.85938	0.8
134.77164	0.8
278.81158	0.7
279.23575	0.9
478.19589	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54689	0.5
55.05797	0.6
61.98822	2.8
63.65439	0.5
70.42915	0.5
75.14930	0.6
78.95902	100.0
78.98215	0.7
96.96960	8.8
98.89942	0.6
134.08014	0.6
152.99586	31.1
171.00647	43.5
175.93181	0.7
269.41913	0.7
284.90488	0.8
404.25668	3.4
478.29443	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00348	0.9
73.42435	1.0
78.95901	100.0
81.11767	0.9
94.06068	1.0
96.96986	9.1
96.97487	1.0
130.44278	1.0
144.75829	1.1
152.99583	30.7
171.00647	44.4
172.78401	1.1
185.94609	1.0
253.21767	13.5
350.93628	1.2
404.25647	1.6
411.49081	1.1
453.22861	1.0
478.29398	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45668	0.3
78.95912	2.5
85.42834	0.3
92.22524	0.7
105.66051	0.4
130.09851	0.3
140.01198	1.8
152.99596	0.8
169.87671	0.3
196.03786	0.8
214.04900	1.7
281.24893	100.0
295.13025	0.3
343.00354	0.3
478.29437	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93627	0.6
62.01436	0.7
78.07429	0.6
78.95903	100.0
85.92683	0.7
92.22555	1.0
96.96952	10.0
114.92573	0.6
140.01259	0.8
152.99599	29.3
169.98605	0.7
171.00638	49.2
404.25955	2.7
461.04498	0.8
478.29422	99.6
493.88464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73626	0.6
55.89896	0.5
60.22909	0.6
62.18394	0.7
78.95901	100.0
79.98366	0.6
83.91629	0.7
96.96955	9.2
118.29301	0.8
140.01176	0.6
152.98344	1.1
152.99585	29.1
171.00642	46.1
174.12668	0.6
184.57784	0.6
386.24823	0.9
404.25876	4.8
421.04959	0.7
463.42926	0.7
478.29440	87.4
504.28671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17850	0.5
56.58906	0.6
60.37002	0.5
78.95901	8.3
90.11748	0.6
91.32328	0.6
140.01184	4.2
143.74826	0.6
152.99585	1.0
196.03857	11.1
214.04947	2.6
281.24887	100.0
310.11838	0.7
478.29428	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28906	0.5
52.78381	0.5
54.67843	0.4
58.51238	0.5
63.35197	0.6
69.43974	0.6
69.63076	0.5
78.95897	2.7
82.39188	0.5
92.22567	0.8
103.40546	0.5
112.75066	0.7
116.92821	0.7
130.46097	0.6
134.64452	0.6
140.01151	1.1
204.15858	0.6
214.04903	1.4
229.73363	0.6
281.24878	100.0
367.02094	0.6
460.26334	0.8
478.29401	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49299	0.4
54.68840	0.4
61.98521	0.8
61.98833	21.6
72.35854	0.7
78.95908	9.3
93.75221	0.6
98.59737	0.5
113.82714	0.6
115.54864	0.5
140.01221	4.5
152.99551	1.1
158.59247	0.5
196.03799	10.7
206.61710	0.6
214.04865	0.7
281.24884	100.0
311.07800	0.6
431.62384	0.7
478.29428	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3181
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
52.42669	1.5
61.98826	4.5
63.77068	1.8
71.01377	8.3
71.05024	9.8
77.89536	1.9
88.04031	13.9
126.09224	10.7
128.07167	70.9
144.03053	3.2
146.08260	7.9
200.09328	38.7
218.10359	2.1
262.98911	1.9
277.21710	76.0
342.79248	1.9
357.52618	2.0
478.31808	100.0
478.38431	4.0
494.98056	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26787	8.9
56.30304	9.1
59.54760	8.0
62.01933	8.3
63.02723	8.8
80.63820	8.5
84.08031	8.9
89.90701	11.3
131.97084	10.6
153.45222	10.1
277.21786	100.0
431.31644	11.9
478.31677	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.7
66.55906	1.1
68.80194	1.2
84.04522	2.6
91.71020	1.1
94.02961	1.3
97.81642	1.1
102.33699	1.2
110.02449	2.3
112.04036	40.1
122.06098	2.0
124.04023	28.2
140.07153	3.1
166.05089	100.0
184.06157	26.7
281.28534	2.2
341.68280	1.2
417.96310	1.3
478.35400	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01272	1.3
59.01385	5.7
71.63414	1.3
79.95760	2.1
80.13442	1.3
84.04546	1.9
90.50518	1.4
98.28666	1.5
105.02452	1.6
106.88687	1.6
108.49771	1.4
110.02477	13.1
112.04050	38.2
122.06124	9.4
124.04041	20.3
135.31726	1.4
140.07262	1.9
166.05098	100.0
184.06123	13.7
210.38239	1.3
221.08540	9.3
222.08844	2.6
293.28589	5.9
377.26996	1.6
478.28821	2.9
478.35437	57.5
478.59775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.0
69.11340	0.7
70.29538	0.6
70.69035	0.7
71.01384	9.6
71.24082	0.7
71.72076	0.8
72.99298	9.1
75.00850	1.6
76.01734	0.7
86.78779	0.9
89.02432	4.6
92.37103	0.7
101.02434	6.0
108.98784	0.8
113.02411	1.6
115.03954	1.4
119.03468	1.7
120.95613	0.8
126.96783	0.8
139.53743	0.9
146.08243	5.4
151.03967	3.9
155.01727	17.9
167.01724	7.5
183.89333	0.8
211.00739	9.2
229.01762	100.0
251.97789	0.9
321.15411	4.1
326.52219	0.9
391.07129	18.8
456.58859	0.9
479.08682	60.6
479.18655	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99574	0.4
59.01388	6.1
59.30952	0.5
60.48428	0.6
61.77180	0.5
71.01370	2.4
71.56902	0.5
72.99300	11.0
73.02930	0.6
85.02934	0.8
89.02413	2.1
96.87743	0.6
101.02431	1.2
103.00367	1.1
113.02401	0.8
115.00355	1.4
115.04022	1.0
117.05544	3.7
121.03004	0.7
143.45979	0.6
151.03963	4.0
153.18077	0.6
155.01717	20.3
156.03781	0.6
167.01724	8.6
183.01057	0.7
205.01558	0.6
211.00670	9.3
229.01759	100.0
241.03413	0.7
243.06682	1.2
317.06628	2.4
321.15509	1.1
391.07117	19.9
398.00372	0.6
474.33517	0.7
479.08643	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97962	1.3
54.22233	1.0
57.65242	1.0
59.01381	5.8
71.01376	1.6
72.99313	18.0
83.05031	22.6
85.91264	1.4
99.00896	1.8
101.02392	1.8
111.04489	22.1
113.02448	1.4
115.03971	12.8
127.04002	67.8
129.05579	7.5
135.04527	17.7
137.02414	2.0
155.03508	50.9
161.02449	17.3
171.03044	2.0
179.03525	20.0
185.53001	1.5
189.04004	1.5
199.02481	21.7
214.82336	1.4
216.95952	1.2
217.03549	100.0
240.35947	1.5
323.35809	1.6
441.14090	26.7
443.15228	8.3
479.16992	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34868	0.9
59.01381	1.9
72.99306	22.3
83.05013	20.2
109.34281	1.1
111.04514	25.4
115.03995	10.2
119.05026	1.7
127.04008	58.1
129.05560	7.0
137.02441	5.1
137.12585	1.4
142.07957	1.1
155.03519	40.0
161.02405	2.7
171.03023	4.6
179.03529	1.3
189.04063	2.0
199.02524	26.7
217.03548	100.0
219.05432	1.2
244.88168	1.2
302.72321	1.2
441.14288	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40158	1.0
57.20348	0.9
59.01383	10.6
66.73199	0.8
67.37702	0.9
71.01376	6.2
71.05001	1.1
72.80947	1.0
72.99304	22.3
73.02943	1.3
75.00867	1.4
81.03433	1.7
83.05022	25.8
85.02956	2.0
85.23415	1.0
87.00885	5.9
89.02436	17.3
93.03462	1.1
96.59236	0.9
101.02426	5.3
109.38200	1.1
111.04504	26.2
111.05244	0.9
113.02457	10.9
115.03987	14.1
119.05010	5.0
127.04005	77.6
129.05595	8.3
129.44290	1.0
137.02426	3.9
155.03500	52.8
163.04034	2.0
164.02731	0.9
171.03036	4.6
173.04524	1.4
185.05980	1.1
189.04074	2.4
199.02484	28.8
217.03546	100.0
219.17506	1.6
225.11269	1.1
263.16513	2.1
281.17566	4.1
299.18585	10.1
317.19702	13.0
419.23090	1.7
479.25763	16.4
482.58237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.47731	0.6
61.98822	0.9
63.17171	0.7
64.65771	0.7
71.01359	1.1
71.76904	0.6
72.99304	21.7
75.91531	0.7
89.02410	1.0
93.03437	22.6
109.02958	1.2
123.04504	7.2
135.04509	10.9
137.02437	100.0
141.22527	0.7
153.01994	0.9
157.56300	0.7
172.32866	0.7
179.01952	1.0
179.03484	18.0
197.04561	25.1
253.57205	0.8
341.08777	3.2
479.11960	33.1
479.18939	1.5
479.25024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
59.30251	0.9
71.01384	1.7
72.99304	20.7
73.02976	1.0
81.03475	1.3
82.42882	0.9
83.01340	1.1
83.05027	23.4
85.26031	1.0
93.03444	1.1
100.06737	1.0
106.72479	1.0
111.04503	22.3
115.03979	13.8
116.92867	11.9
119.04984	4.1
121.02953	29.1
127.04010	61.2
129.05577	6.5
137.02454	5.0
155.03505	49.7
163.04025	1.3
166.46887	1.0
171.02969	1.7
173.04712	1.1
189.04106	5.0
199.02499	24.8
210.97931	1.1
210.99944	1.0
217.03540	100.0
261.07672	1.9
471.55746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1564
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
54.04259	0.8
59.01381	1.8
71.01392	0.8
87.92935	0.8
89.02400	0.9
108.02174	9.4
109.82726	0.9
115.92174	0.9
116.92796	1.0
118.86327	0.9
123.00864	17.1
123.04521	19.1
124.01648	13.9
127.77178	0.9
136.01677	9.2
139.11568	0.8
148.01683	1.1
150.03203	1.4
155.81319	1.0
162.03209	2.1
163.04001	12.3
272.06924	36.3
287.09290	100.0
317.10333	94.1
421.13828	1.1
449.14618	2.1
479.09808	2.5
479.16147	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26835	0.8
57.15791	0.6
59.01381	5.2
67.01890	4.5
68.66825	0.6
71.01375	10.8
73.02937	8.8
83.01373	0.8
84.02784	0.7
85.02947	4.9
89.02456	3.8
92.23145	1.4
99.00878	3.0
101.02448	16.8
111.00874	100.0
113.02448	7.5
119.68216	0.8
143.03511	0.7
143.68948	0.9
161.04555	8.6
173.83102	0.8
235.11890	17.8
277.98682	0.7
316.69775	0.9
367.11432	1.8
367.16122	55.1
479.17661	28.2
490.69525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	4.2
59.01385	78.3
71.01379	35.8
72.21918	2.2
73.02937	12.6
83.01382	18.8
83.05022	11.9
85.02949	12.2
87.00871	3.0
89.02434	24.6
93.03444	39.2
99.00901	4.7
101.02444	35.9
111.00884	13.4
111.04516	66.0
111.33453	2.5
113.02435	22.5
115.92104	3.0
116.92809	2.8
117.58263	3.0
119.03479	4.8
136.99088	2.9
137.02457	26.8
138.91495	2.2
143.03508	3.7
155.03502	49.1
161.04567	12.4
173.04567	71.4
197.25143	2.7
205.07489	5.1
248.82349	2.5
263.11407	100.0
273.26495	2.6
327.13559	4.4
345.14716	5.7
401.14642	4.7
419.15558	21.5
479.17142	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21943	1.8
59.01099	4.1
59.01382	85.2
68.26286	2.3
71.01382	41.6
72.99300	2.6
73.02937	22.5
81.03460	2.7
83.01386	27.7
83.05035	19.2
85.02925	21.3
85.47785	2.3
87.00877	3.5
89.02477	3.2
93.03450	44.5
93.42300	2.5
97.79736	2.3
99.00886	10.1
101.02435	36.4
101.06074	13.2
109.02936	10.9
111.00879	17.2
111.04508	94.6
113.02448	25.3
123.04491	3.1
129.01959	3.2
133.01396	2.6
135.04517	6.0
137.02425	36.0
145.43127	2.2
153.01929	5.2
153.05545	4.9
155.03511	100.0
159.03012	3.0
161.04582	18.0
173.04550	94.5
181.05009	2.6
197.04654	8.9
218.47713	2.6
263.11365	95.9
317.06616	3.3
322.21021	2.2
401.14755	4.1
419.15720	28.9
479.18362	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01277	1.2
59.01382	38.9
63.75016	1.3
71.01377	2.2
72.99298	1.8
73.02911	1.6
73.43358	1.2
74.02447	1.4
81.03465	3.4
83.05018	9.7
83.10365	1.3
89.02435	2.3
93.03447	57.2
101.02422	1.8
111.04518	40.6
112.62311	1.4
114.70748	1.4
115.05621	1.7
130.67076	1.6
135.04512	2.3
137.02443	97.9
155.03510	81.7
203.60539	1.4
215.05615	100.0
228.10417	2.1
271.10913	3.3
284.09348	1.5
315.10364	1.9
338.01794	1.6
479.16956	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01277	1.2
59.01382	38.9
63.75016	1.3
71.01377	2.2
72.99298	1.8
73.02911	1.6
73.43358	1.2
74.02447	1.4
81.03465	3.4
83.05018	9.7
83.10365	1.3
89.02435	2.3
93.03447	57.2
101.02422	1.8
111.04518	40.6
112.62311	1.4
114.70748	1.4
115.05621	1.7
130.67076	1.6
135.04512	2.3
137.02443	97.9
155.03510	81.7
203.60539	1.4
215.05615	100.0
228.10417	2.1
271.10913	3.3
284.09348	1.5
315.10364	1.9
338.01794	1.6
479.16956	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1931
Annotation	Briarlide H
Peak:m/z	Relative Intensity
51.48997	1.4
59.01379	7.1
62.84067	1.3
69.72550	1.1
71.01361	3.3
87.00345	2.9
87.00872	72.7
89.02441	22.6
99.00890	1.5
101.02415	3.0
109.02936	2.4
113.02415	2.3
115.29105	1.3
120.99622	1.5
121.02985	1.8
122.03703	2.7
125.02454	1.8
133.99258	1.4
135.46387	1.5
137.02415	7.6
138.03200	5.5
139.03958	2.5
147.02943	1.5
151.03949	2.1
152.04776	1.8
165.05569	13.7
179.07141	2.6
181.05133	9.9
181.07025	1.2
195.06662	20.1
207.06612	2.4
209.08192	5.5
235.79190	1.3
331.11816	5.8
345.13422	6.8
361.12949	28.3
376.15314	49.8
391.17667	69.0
429.15637	1.9
479.19284	100.0
479.24585	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2113
Annotation	N-Methylstaurosporine
Peak:m/z	Relative Intensity
59.01384	7.7
62.25017	1.6
71.24158	1.5
80.66191	1.8
87.00874	3.8
90.71493	1.5
98.49784	1.8
99.92585	37.5
100.93353	25.7
115.92076	45.6
116.92837	10.3
117.20568	1.7
124.96960	4.2
136.05202	2.1
142.76778	1.8
148.08199	1.9
151.07637	7.7
152.96475	7.2
165.72812	1.8
170.97600	2.0
196.95573	14.8
229.76184	2.0
253.25206	2.0
281.24899	67.8
381.17285	3.7
397.16898	2.5
419.35452	3.0
479.21109	100.0
479.32864	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06061	1.9
54.25965	1.8
59.01103	4.5
59.01380	85.7
69.68211	2.2
71.01369	48.8
71.02430	2.0
72.99306	4.1
73.02945	11.7
78.95924	2.2
83.01379	2.9
85.02946	18.0
87.00883	3.0
88.98797	12.7
89.02434	96.9
95.59908	2.1
99.00874	4.7
101.02437	53.8
113.02447	20.5
115.03989	8.8
119.03494	10.6
121.11246	2.3
131.07124	5.0
159.10306	5.5
161.04572	18.7
174.14644	2.1
194.87775	2.1
229.01651	2.9
288.79611	2.5
299.18811	3.0
317.19751	3.7
321.15585	100.0
479.25241	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82325	1.4
59.01103	2.3
59.01384	50.4
71.01379	32.2
73.02949	9.5
75.00842	1.5
78.76113	1.0
83.01354	1.4
85.02945	9.4
85.70559	1.1
87.00873	1.5
89.02431	20.2
99.00864	4.9
101.02441	23.9
113.02446	17.6
115.04040	1.1
117.01909	1.4
119.03487	8.1
120.01259	5.1
159.03069	1.3
159.10237	1.9
161.04541	11.1
239.01695	1.2
321.15579	100.0
479.16595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.3
62.34294	0.9
66.04336	0.9
71.01370	2.4
74.87368	0.9
75.00889	0.8
85.02950	1.7
87.73981	0.9
89.02438	2.2
92.47305	1.0
96.96014	1.1
99.00890	20.0
101.02413	5.2
113.02422	1.7
125.09695	4.1
127.03996	1.8
155.03523	1.4
155.25980	1.2
161.04523	1.4
163.11253	4.2
173.04527	1.5
181.12358	13.6
199.13466	8.7
207.10323	19.7
217.03484	1.6
225.11340	74.2
243.09962	2.1
243.12372	51.7
272.43747	1.1
279.03253	1.1
299.18747	2.2
317.19608	4.0
433.24268	5.6
479.21320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24607	0.5
55.33995	0.5
65.86185	0.5
67.73303	0.5
68.51801	0.6
78.95921	0.7
79.95731	28.9
79.96180	1.3
80.96522	8.0
96.96005	13.2
103.09133	0.7
125.09689	5.5
152.99603	3.9
156.10188	0.7
161.04282	0.6
167.14445	3.8
170.11913	1.3
186.11368	34.5
210.15036	1.3
211.13367	6.6
212.96555	0.8
222.08101	1.3
228.16057	59.8
229.14445	3.4
238.10898	0.6
250.07558	100.0
264.09235	1.4
264.12451	0.8
266.07077	1.3
275.39471	0.6
289.35645	0.6
292.12289	68.8
308.11816	2.6
357.80334	0.7
365.74866	0.7
366.28580	0.6
479.25394	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42852	1.1
57.86350	1.3
59.01385	37.5
71.01376	21.5
72.99310	3.1
73.02946	7.1
75.00858	2.0
85.02953	10.6
87.00852	3.2
88.98801	14.3
89.02434	100.0
101.02435	20.1
102.74345	1.7
113.02449	9.0
115.04023	2.1
119.03460	2.3
131.07109	2.9
149.26933	1.3
159.10257	1.7
161.04550	8.7
246.88480	1.4
299.18768	2.3
317.19733	2.7
321.15591	41.0
381.17651	3.1
479.25369	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2654
Annotation	Neoandrographolide
Peak:m/z	Relative Intensity
51.29903	0.8
51.55764	1.2
59.01369	1.5
61.98821	1.6
62.30181	1.1
67.94630	1.1
78.95890	4.5
125.09766	1.4
141.69032	1.1
151.11371	1.2
152.99554	5.0
153.12810	9.6
191.14404	2.3
193.15993	10.9
197.11818	7.7
199.13445	2.1
205.12396	1.9
213.14955	1.8
215.12820	5.2
241.18091	19.3
249.22212	2.9
257.19208	1.9
259.16901	1.3
273.18628	2.4
275.20160	2.1
293.21259	68.9
355.26630	3.7
361.23688	3.0
373.27298	10.1
391.28540	11.7
417.26334	2.0
435.27481	5.5
443.24487	5.0
461.25928	1.8
479.26486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2655
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
55.93079	1.4
59.01389	25.2
64.57127	2.0
66.11256	1.7
71.01375	4.4
85.37725	1.8
89.02422	11.9
96.95959	3.0
101.02410	3.7
113.02420	3.2
119.03483	3.4
125.06076	20.3
133.09476	1.9
169.05040	7.9
299.16907	2.8
299.20190	82.9
301.21832	27.7
309.20740	8.2
327.21780	3.6
479.26343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2656
Annotation	Neoandrographolide
Peak:m/z	Relative Intensity
50.03322	0.9
51.49508	0.9
55.74069	1.1
56.47293	1.0
60.89917	1.0
61.53996	1.0
63.04152	1.0
64.56133	1.2
76.64547	1.0
84.65514	1.1
99.08156	1.9
111.65716	1.1
121.39149	1.1
125.09711	1.3
127.11246	1.5
136.64366	1.0
142.89893	1.1
152.99574	4.5
167.14404	7.6
177.12915	2.1
179.14424	42.4
211.13441	9.0
229.14412	4.9
229.26541	1.3
235.10110	1.7
241.18005	1.1
263.16486	2.8
271.20676	1.6
287.20175	1.9
291.19650	4.8
307.22845	39.0
355.26508	5.1
373.27493	16.0
389.26804	1.6
391.28607	16.6
417.26437	1.4
435.27762	8.3
473.27661	1.2
479.26563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2657
Annotation	Neoandrographolide
Peak:m/z	Relative Intensity
54.29215	0.8
59.01387	9.3
61.98817	1.1
62.17808	0.7
66.57427	0.8
71.34948	0.9
99.08131	1.2
115.00327	1.8
127.11255	7.6
152.99586	3.8
158.61925	0.9
163.11256	1.6
167.07095	4.1
167.14456	7.8
177.12805	4.6
179.12845	1.6
179.14423	47.4
205.12370	1.7
211.13464	8.1
213.15030	1.2
229.14409	4.5
245.15695	1.1
263.16486	9.1
289.21625	1.1
291.19696	2.3
307.22839	22.8
343.23050	1.7
355.26395	2.3
361.23724	6.1
373.27536	12.2
391.28464	9.4
417.26727	1.3
419.32690	4.6
435.27505	6.0
465.49753	1.0
479.26495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12808	2.1
59.01383	47.8
61.98838	4.0
68.24663	1.9
76.92673	2.5
86.67999	2.9
92.36185	2.4
95.67506	2.2
103.00409	3.0
205.20699	2.6
258.83344	2.1
270.07788	2.2
277.21756	100.0
310.36050	2.4
402.16931	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2786
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
50.90504	7.2
60.13089	6.5
70.83791	7.2
84.15195	7.8
85.98682	7.6
89.78972	7.0
93.65121	7.3
95.04504	7.4
173.21606	11.6
281.24863	100.0
317.48892	9.6
345.31723	16.0
389.61551	8.3
417.33987	34.7
479.27423	57.5
479.33826	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2787
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
59.36199	0.4
61.98807	0.9
70.70406	0.4
71.58024	0.4
77.98938	0.5
78.26917	0.5
78.95894	8.0
112.62417	0.5
152.99577	13.3
160.75179	0.6
167.01167	1.2
171.10213	1.1
222.06979	0.5
223.03809	4.5
251.05945	0.5
255.23320	100.0
281.24854	0.8
282.25140	4.7
399.22473	0.6
479.27835	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40905	1.8
59.01401	2.3
62.67520	1.9
63.47993	2.1
71.01376	2.9
72.03719	2.1
75.22166	2.2
96.77630	2.0
119.33537	2.3
177.44797	2.6
271.37814	2.3
281.24921	31.9
323.25885	4.9
343.30008	31.0
345.31604	41.4
373.34842	22.7
417.33768	59.0
440.70135	2.7
479.27673	20.8
479.33786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3019
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
54.23638	1.8
59.01363	2.0
61.98824	2.5
70.39874	2.3
73.04938	2.4
75.88247	2.1
91.00644	1.9
94.93975	2.1
97.02939	37.5
115.03996	21.2
141.75888	2.3
163.11206	3.7
181.12259	3.2
199.13420	23.2
294.24521	2.5
295.19144	12.2
381.26608	22.7
381.31195	3.1
479.30377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3205
Annotation	Borreverine
Peak:m/z	Relative Intensity
61.00292	0.3
78.95895	0.5
79.88209	0.4
96.96004	26.8
152.99567	3.1
223.08267	0.5
417.36218	1.7
479.31964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84966	0.3
78.95932	0.4
84.44051	0.3
90.16614	0.3
90.54814	0.3
96.96003	29.0
99.03719	0.3
107.94508	0.3
140.79347	0.3
152.99574	1.9
163.92348	0.3
182.27113	0.3
412.38770	0.3
443.93921	0.3
479.32040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3386
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
56.87745	0.5
71.01372	1.0
78.95918	0.5
82.59718	0.6
89.53352	0.5
96.96011	0.9
116.58625	0.6
127.19151	0.6
133.26610	0.6
153.81819	0.6
224.34029	0.5
255.23251	0.8
341.28656	0.7
343.30081	33.2
345.31644	43.5
357.27884	1.2
357.31763	4.1
373.08401	0.7
373.34814	25.6
389.30676	2.3
391.35864	2.3
399.32663	4.9
417.33798	70.1
435.34729	2.9
479.33829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3384
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
58.54693	0.9
63.32677	1.0
114.14809	1.1
121.77625	1.2
125.09673	1.4
126.08630	1.1
134.87700	1.2
137.09723	8.2
155.10782	100.0
171.10246	15.6
199.09750	24.1
201.56735	1.3
217.10806	49.2
217.12888	2.3
279.23303	57.6
398.71820	1.4
409.98489	1.5
479.33780	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42595	1.4
59.01360	1.9
66.20509	1.7
71.05022	3.5
99.04495	1.7
109.06572	7.3
113.06075	1.9
115.02136	1.6
122.01224	1.5
122.03754	2.1
123.04500	10.6
124.74004	1.4
127.07637	8.9
136.05309	18.3
137.06081	100.0
150.06769	2.2
151.07655	22.1
155.07072	11.8
165.09224	11.6
182.65938	1.5
193.08676	13.8
259.57709	1.6
281.28516	9.0
323.29495	2.6
338.36230	1.7
341.26959	2.4
341.30707	39.0
419.29633	3.0
419.35321	87.5
461.36594	3.0
479.37491	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68994	0.4
53.64388	0.5
53.89557	0.5
55.05779	0.5
59.01384	9.6
60.92676	0.5
66.17324	0.5
70.64922	0.5
78.71696	0.5
93.03438	0.6
95.05028	1.0
99.04505	0.7
101.86757	0.6
107.08667	1.3
109.02979	0.7
111.04532	4.4
111.08087	0.6
121.02885	0.8
121.06593	0.6
122.03728	4.0
123.08138	4.4
125.09694	0.9
136.05304	24.7
137.06065	2.7
139.07640	0.9
149.09726	0.8
150.06787	0.8
151.07639	100.0
165.09207	2.2
175.07768	0.7
178.96242	0.7
202.91402	0.6
211.09697	2.5
267.26703	0.6
287.72467	0.6
308.97153	0.7
391.35605	0.8
419.35358	65.0
425.95160	0.7
433.36871	6.2
437.36423	1.2
451.38559	0.7
461.36343	3.6
465.12585	0.6
479.37436	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.2
121.52990	0.8
133.47385	0.9
171.62016	0.8
273.45856	0.9
315.30530	6.5
331.30112	0.9
357.31653	1.4
359.29660	3.0
369.82941	0.8
371.33255	1.3
373.34885	5.2
383.33286	9.8
385.31207	19.5
399.36450	4.7
401.34262	1.4
419.35300	5.9
479.37518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92166	1.3
55.01886	2.5
56.10596	1.3
57.03457	1.4
59.01381	14.3
71.05014	23.3
74.50932	1.3
92.22623	1.7
95.05013	2.3
96.05843	1.3
99.04517	1.7
109.06603	1.4
111.08126	1.6
116.26797	1.4
123.08185	3.2
125.09709	41.3
134.07372	19.9
136.05334	1.9
137.06050	5.4
139.07790	1.4
139.81512	1.6
149.09712	25.7
151.03972	2.0
151.07652	2.9
152.08409	7.3
153.54221	1.5
163.07715	1.6
167.10768	8.7
206.28337	1.8
279.23273	2.7
358.60641	1.5
371.88068	1.7
417.37491	7.1
435.38525	100.0
479.37921	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33205	0.3
58.39550	0.3
58.69158	0.4
61.98845	0.6
64.30383	0.4
65.71751	0.4
68.78992	0.4
123.91563	0.4
177.15034	0.4
257.59717	0.5
403.32596	0.4
422.06226	1.3
450.06271	100.0
460.09525	0.5
465.08475	3.2
480.10965	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74431	2.4
56.90797	2.4
59.01384	19.2
59.01657	2.3
64.81458	2.8
67.06931	2.5
71.01390	20.5
73.02915	3.4
73.03958	3.4
83.01402	3.6
83.49173	2.8
85.02983	10.5
89.02441	15.7
95.05047	3.2
96.08405	3.5
101.02438	21.8
113.02467	7.0
115.04045	3.8
125.06063	14.1
161.04530	3.6
169.05040	35.2
170.34569	2.8
176.03545	4.9
216.05080	28.7
217.07169	3.0
263.11371	26.0
275.20731	3.6
302.59357	3.3
330.37494	2.8
359.09607	2.8
433.17206	20.3
436.17929	5.5
442.05630	3.1
480.10928	5.8
480.17279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74431	2.4
56.90797	2.4
59.01384	19.2
59.01657	2.3
64.81458	2.8
67.06931	2.5
71.01390	20.5
73.02915	3.4
73.03958	3.4
83.01402	3.6
83.49173	2.8
85.02983	10.5
89.02441	15.7
95.05047	3.2
96.08405	3.5
101.02438	21.8
113.02467	7.0
115.04045	3.8
125.06063	14.1
161.04530	3.6
169.05040	35.2
170.34569	2.8
176.03545	4.9
216.05080	28.7
217.07169	3.0
263.11371	26.0
275.20731	3.6
302.59357	3.3
330.37494	2.8
359.09607	2.8
433.17206	20.3
436.17929	5.5
442.05630	3.1
480.10928	5.8
480.17279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47092	4.6
59.01390	40.9
61.98836	96.9
69.71847	5.0
71.01384	26.3
72.99311	8.3
73.02944	4.8
85.02932	6.6
89.02422	10.0
89.86282	4.6
101.02438	22.8
103.63023	4.3
113.02396	10.0
115.03988	28.9
119.03424	5.5
157.01576	5.0
169.05066	35.6
216.05127	27.7
263.11401	11.6
433.17184	21.9
480.11084	5.1
480.17178	100.0
480.25287	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93203	2.3
59.01387	6.6
66.34355	2.2
71.01006	5.4
71.01381	100.0
72.00085	2.5
88.33180	3.0
89.02446	5.4
97.02936	19.0
97.60143	2.8
101.02426	3.0
106.15930	2.7
107.92680	2.6
194.25200	2.7
212.60262	3.0
291.68604	3.1
361.14999	24.9
433.17413	6.0
501.63718	3.4
509.53589	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93357	0.6
59.01376	2.6
61.98834	100.0
65.17509	0.6
82.04816	0.6
88.65350	0.7
99.54978	0.8
119.55037	0.6
149.45976	0.6
166.37077	0.6
220.25029	0.7
420.20157	0.9
420.25766	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39998	0.4
59.01387	0.6
60.98313	0.5
61.98832	100.0
65.92730	0.4
82.08274	0.5
102.13692	0.5
103.47635	0.5
159.84650	0.5
178.28171	0.7
193.06570	0.6
274.97623	0.6
420.25894	0.9
440.17603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2739
Annotation	Cytochalasin IV
Peak:m/z	Relative Intensity
60.28699	0.6
67.28457	0.6
78.95897	11.3
120.50685	0.6
129.81982	0.7
146.78334	0.6
152.99588	29.9
168.00645	1.1
171.00644	0.7
224.03317	3.5
242.04431	0.8
255.23318	100.0
349.52200	0.6
371.41681	0.8
427.76236	0.7
480.27362	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08634	0.5
55.70882	0.4
61.03179	0.5
71.67726	0.5
77.69829	0.6
78.95892	7.9
81.60959	0.6
85.15918	0.6
98.04546	0.5
152.01128	1.4
152.99574	24.7
168.00589	1.1
224.03262	3.7
225.19304	0.5
239.51602	0.6
242.04367	0.7
255.23300	100.0
265.95877	0.6
435.36520	0.6
480.27255	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62988	0.5
62.22792	0.5
68.61491	0.5
72.07597	0.5
78.95888	7.0
99.04350	0.5
112.12766	0.6
124.50240	0.5
152.99583	25.5
168.00674	1.2
224.03371	3.1
255.23320	100.0
304.78381	0.6
417.01498	0.6
480.27383	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16227	0.5
55.71382	0.7
59.92260	0.5
61.98833	100.0
62.66683	0.5
68.81116	0.6
74.89871	0.6
232.93642	0.7
340.33371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30888	0.6
59.01380	1.6
61.98830	100.0
70.79774	0.7
70.98281	0.6
86.15597	0.8
91.49001	0.6
255.23592	1.0
446.26639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04940	0.5
53.96659	0.6
55.01358	0.6
59.01370	0.7
61.98834	100.0
64.21864	0.6
64.23398	0.7
76.30433	0.7
88.51382	0.7
109.83745	0.8
197.58063	0.7
200.98738	0.8
431.17490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.4
59.01381	5.1
66.03483	12.2
67.86599	1.1
69.45091	1.1
73.02955	10.0
83.01370	1.4
92.05044	1.4
94.02975	32.5
94.23797	1.1
96.04546	100.0
112.05308	6.2
140.03545	45.7
144.89983	1.4
152.07169	5.1
154.05058	2.0
196.06194	6.9
223.20593	1.8
235.20525	1.2
250.19054	2.2
279.23279	7.5
402.26556	1.6
420.27603	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
75.14287	0.8
104.74852	0.6
109.37211	0.6
135.04488	0.6
161.02373	1.5
250.34509	0.8
344.38843	0.7
417.30148	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81905	0.6
55.20525	0.7
59.01381	23.1
63.49913	0.6
64.40504	0.6
78.95897	39.9
80.24461	0.7
99.60389	0.7
168.04298	17.8
195.73497	0.8
203.43065	0.7
237.51768	0.7
244.32503	0.7
257.78683	0.7
270.70563	0.8
290.59381	0.8
317.15326	1.2
317.18863	16.5
335.19891	4.2
385.21274	0.9
406.27313	100.0
434.90189	0.8
480.30948	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67811	0.4
55.13210	0.5
56.33253	0.6
59.75114	0.5
60.30005	0.5
68.35195	0.5
72.20200	0.6
78.95899	17.4
96.48905	0.6
96.96961	1.0
107.53986	0.5
152.99585	6.2
168.04306	1.1
171.00627	8.2
196.57233	0.5
242.07870	1.0
255.23308	100.0
341.17117	0.6
349.96365	0.6
480.31003	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3101
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.57927	0.4
56.63371	0.4
61.98827	2.8
71.78705	0.5
75.84013	0.6
78.95907	8.4
88.78010	0.5
99.40605	0.5
140.01189	6.6
141.60976	0.6
152.99620	1.3
196.03815	9.4
239.79163	0.6
283.26453	100.0
480.30997	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14098	0.6
60.63442	0.7
61.98839	1.3
74.43394	0.8
78.95908	3.1
98.89662	0.7
111.73991	0.6
140.01189	1.2
174.75038	0.9
214.04895	0.9
283.26447	100.0
480.31021	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21827	0.3
58.99058	0.4
63.55869	0.4
78.95908	8.9
92.92208	0.4
152.99590	1.9
168.04315	4.1
224.06918	7.0
242.08043	0.9
246.30258	0.4
255.23315	100.0
255.58643	0.4
436.54193	0.5
480.31012	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60476	1.5
59.01372	2.2
71.01376	3.7
71.05007	8.5
83.74489	1.4
88.04045	12.8
95.76949	1.4
126.09223	8.0
128.07172	57.3
144.02992	3.2
146.08192	7.8
200.09309	32.2
218.10384	3.2
233.57730	1.9
252.05992	1.8
279.23309	100.0
480.33304	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03871	0.3
58.24401	0.4
59.48059	0.3
61.86190	0.5
85.33767	0.3
85.34311	0.4
86.18192	0.4
96.61953	0.4
105.47911	0.5
106.95726	0.4
107.44354	0.4
177.79407	0.4
209.20152	0.5
293.36877	0.5
345.07791	0.7
358.04660	0.7
373.07288	1.9
381.05344	1.0
385.04715	2.2
386.04572	1.6
389.06708	0.5
394.02850	0.6
396.96854	0.5
397.01117	3.9
398.01999	2.3
401.06454	0.7
402.03699	0.7
405.06061	3.2
409.04968	1.6
412.03534	2.6
413.04276	6.5
417.06061	0.9
421.01086	0.5
422.02133	1.9
430.03198	1.5
437.04385	12.5
438.01352	1.5
439.02362	20.2
481.03360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69868	1.3
56.88260	1.1
57.08830	1.0
67.60698	1.0
85.70803	1.3
85.97000	1.1
119.95434	1.3
127.04060	1.3
141.97130	1.3
168.29956	1.5
184.97672	2.9
191.05626	44.6
202.98746	1.6
210.99355	2.1
225.55641	1.6
238.98662	1.4
247.01393	25.8
253.00195	1.6
273.02982	1.9
275.01129	1.5
289.02475	37.2
315.03992	11.3
317.01956	22.2
341.01758	1.9
343.03442	16.7
345.01508	3.0
359.03125	7.9
403.05649	21.9
404.38333	1.4
421.06726	46.5
439.07730	2.0
450.21664	1.4
465.05490	2.0
481.08859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46594	0.9
59.01377	1.3
62.02685	0.7
67.08738	1.0
67.17044	0.8
71.01385	1.2
76.60660	0.8
78.95894	24.8
79.95689	1.2
80.96529	3.6
96.96015	1.4
96.96948	2.0
101.02402	1.1
117.88008	0.9
152.99583	55.0
153.05670	1.1
163.70929	0.9
164.43019	0.9
171.00592	1.2
187.14787	1.1
200.12080	1.0
268.03781	21.2
283.06128	100.0
292.13898	0.9
481.09476	4.0
481.21979	36.1
481.28378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31006	1.5
72.03892	1.4
72.70049	1.7
77.42972	1.6
78.05225	1.5
78.95937	2.5
79.23596	1.5
115.78663	1.6
141.42351	1.7
152.99649	2.8
160.01611	2.0
175.04073	6.1
187.74237	1.7
207.54678	1.7
227.93782	2.0
251.73683	1.9
268.03809	22.3
283.06140	100.0
337.86823	1.7
386.81393	1.8
481.09174	4.1
481.21429	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15270	0.3
53.71084	0.3
65.44357	0.4
70.27480	0.4
71.17798	0.4
73.58995	0.5
74.53786	0.4
78.95903	32.6
96.96955	100.0
123.86340	0.4
203.22791	0.5
225.17334	0.4
242.85127	0.4
244.12975	0.4
269.65833	0.4
327.86258	0.4
481.09650	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03910	0.6
54.70909	0.5
59.01383	0.8
67.18503	0.5
71.01408	0.7
71.05035	0.7
79.11161	0.5
89.02456	0.8
92.23094	0.7
95.05043	0.8
97.02934	3.5
98.03802	0.6
99.75774	0.6
101.02448	1.3
105.01943	3.5
106.84492	0.6
109.02947	9.1
119.05027	1.4
120.41411	0.6
137.02467	0.8
139.04008	100.0
139.95026	0.6
153.01924	25.3
153.05511	0.7
163.04005	3.6
165.01906	7.7
179.71754	0.7
183.02997	1.4
191.05620	1.0
197.27805	0.6
199.97462	0.6
327.07187	5.8
345.08295	29.5
367.53323	0.7
481.09683	4.8
481.22974	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20005	0.6
59.01361	0.8
61.98847	0.8
71.01392	1.4
81.03467	1.6
83.05021	8.5
89.02429	1.1
93.03441	58.3
102.05576	0.9
105.01910	1.5
109.02940	1.3
111.04501	56.6
119.05003	42.7
121.50428	0.8
137.02443	24.4
139.04010	10.8
145.02931	6.9
153.01924	1.9
155.03484	68.8
163.04004	100.0
319.08136	1.6
325.09363	19.9
327.07318	1.1
335.22925	1.1
345.08215	1.9
428.03452	0.9
481.13654	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91206	1.1
59.01378	4.8
71.01389	2.1
72.99296	1.1
75.00869	1.4
75.39337	1.0
81.03448	1.3
83.05021	12.3
85.02955	1.9
91.75687	1.0
93.03448	55.7
101.02395	1.3
106.53383	1.1
111.04510	55.5
113.02410	1.3
119.05018	46.6
126.00712	1.1
127.04003	5.0
137.02435	26.4
138.71631	1.1
145.02977	2.8
155.02205	1.6
155.03497	68.4
163.04005	100.0
173.04614	1.5
191.05678	5.2
199.02399	1.7
217.03554	1.5
315.22705	1.4
319.08258	2.4
325.09311	22.4
337.06406	1.2
371.49661	1.5
413.54712	1.3
463.14606	2.9
481.13538	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1357
Annotation	Catalposide
Peak:m/z	Relative Intensity
56.12757	1.0
57.02217	1.1
59.01380	2.7
66.54733	1.1
69.32164	1.2
71.01359	1.7
80.77149	1.2
83.05049	1.7
93.03452	18.7
94.98092	6.6
96.02161	1.5
100.01241	1.2
101.02436	1.2
109.78234	1.4
111.04517	10.8
113.02460	1.3
119.05017	47.8
127.03972	1.5
131.43982	1.4
137.02437	25.7
139.39717	1.6
139.47723	1.2
145.02950	6.2
147.88480	1.2
155.03496	19.7
163.04004	100.0
241.05029	6.0
256.07452	20.0
271.09808	36.2
312.48126	1.4
319.08237	28.3
319.11893	14.2
323.17068	2.7
325.09421	1.6
467.05057	1.3
481.13550	62.1
481.26471	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88638	0.5
59.01386	4.0
60.33920	0.5
60.66656	0.6
61.98816	0.7
66.12725	0.5
71.01379	4.2
71.47972	0.5
72.99285	0.5
73.02956	0.8
85.02949	3.0
87.00854	0.9
89.02410	0.7
93.03451	1.1
101.02431	2.3
106.24255	0.6
111.62105	0.6
113.02447	100.0
119.05035	1.2
123.36546	0.6
125.02425	0.6
133.06564	0.7
137.02396	0.9
145.02966	8.8
163.04002	3.7
171.08136	1.2
173.04572	1.0
177.05504	1.4
187.04022	3.3
191.05653	3.6
201.09166	1.4
215.07156	8.7
233.08305	0.7
251.92332	0.7
271.64987	0.6
277.07178	4.3
290.51672	0.7
301.07300	6.7
307.08322	3.9
367.10373	0.8
403.10223	2.7
421.11465	26.0
421.17093	1.0
454.44717	0.7
481.14008	1.3
481.26630	6.2
498.41159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36810	0.1
51.61752	0.1
53.43070	0.1
55.01879	0.3
55.80394	0.1
69.03455	0.2
71.01333	0.1
73.10764	0.2
77.47927	0.1
78.20210	0.1
85.02949	1.3
97.74046	0.1
113.02446	100.0
126.22418	0.2
149.02519	0.1
164.04794	0.7
164.64291	0.1
174.58983	0.2
175.00313	0.9
187.19473	0.1
190.02727	5.7
196.46805	0.2
205.05083	5.9
208.03773	0.2
223.06146	0.8
293.24475	0.2
325.09830	0.2
367.10522	1.8
481.13712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.28952	0.8
71.01366	1.1
74.03747	0.9
81.96867	0.7
85.02961	4.4
90.01997	0.8
93.03446	36.1
94.98078	2.0
111.04510	8.0
117.03437	2.0
119.05019	59.7
127.73920	0.8
137.02446	100.0
145.02953	24.1
155.03503	21.7
163.04012	65.4
176.03542	6.0
177.03864	4.2
187.03999	3.9
217.08678	5.0
256.07465	3.7
268.98804	1.0
271.09912	6.6
286.99832	4.9
317.08920	10.4
319.08255	1.5
319.11841	1.1
481.05606	6.4
481.13297	12.8
481.26495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44185	1.3
58.23581	1.2
59.01367	3.3
60.40836	1.2
65.93499	1.3
67.77443	1.3
71.01388	2.2
72.99310	24.2
75.61246	1.4
77.36250	1.6
82.44916	1.3
83.05009	21.1
93.03463	1.9
99.31612	1.5
100.22493	2.1
100.93355	2.4
101.02429	3.1
109.02964	6.6
110.53961	1.7
111.04514	42.3
113.32028	1.5
115.03982	10.4
127.04003	93.9
129.05551	9.1
137.02420	8.9
152.44548	1.6
155.03505	100.0
163.03946	1.8
171.02945	2.1
173.05933	1.9
199.02516	49.2
217.03539	86.6
236.94899	2.2
463.14700	29.5
481.15637	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16665	2.4
59.01390	42.3
75.00870	18.3
86.83561	2.6
101.02454	3.3
102.51418	2.7
103.00373	100.0
103.04019	12.0
111.77654	2.4
136.01691	4.1
151.04007	5.5
225.18340	3.5
241.05188	21.4
242.79636	2.7
256.07416	69.5
267.62610	3.3
271.09769	82.4
279.10992	3.1
295.76804	2.7
319.11890	40.9
331.80380	2.5
335.72574	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89474	1.6
59.01383	13.4
68.04128	1.5
71.01390	7.2
72.99301	17.3
75.00867	12.7
83.05011	12.2
85.02954	2.9
86.59312	1.7
86.59854	1.7
89.02433	1.9
93.03466	1.5
101.02446	4.1
102.21201	1.7
103.04018	2.7
107.19380	1.7
109.02943	3.8
111.04502	34.8
113.02456	3.2
115.03991	9.7
119.03538	1.5
127.04005	87.6
129.05588	3.8
130.39613	1.5
133.05060	3.5
137.02441	10.8
155.03496	93.4
161.04527	1.9
164.07214	3.2
173.04572	2.8
199.02495	48.5
217.03545	100.0
241.05090	22.9
256.07431	65.9
271.09790	87.9
319.11871	32.7
339.13147	2.0
358.07642	2.0
463.14401	14.6
481.15353	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58274	1.4
59.01380	3.6
61.09395	1.2
66.07368	1.3
67.44824	1.5
67.91702	1.3
71.01379	3.2
72.99302	23.8
73.02939	1.7
81.03482	1.9
81.58269	1.4
83.05019	31.7
85.02941	1.7
93.03459	17.2
94.73582	1.7
96.93796	1.5
101.02431	9.9
109.02952	5.7
111.04514	51.9
113.02448	1.5
115.04002	8.1
119.05047	2.4
127.04012	99.2
129.05563	14.2
137.02440	19.6
145.02916	6.3
155.03506	100.0
163.04005	10.5
169.93060	1.5
173.04506	2.5
199.02510	47.5
204.00102	1.7
217.03551	71.1
241.75702	1.6
267.86520	1.5
288.09131	1.5
319.08301	15.1
383.92160	1.6
417.14050	2.5
463.14578	44.2
481.15671	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1685
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
51.56096	0.3
59.01380	1.0
59.36854	0.3
70.02969	2.1
71.01385	0.4
71.02504	0.7
73.02946	2.8
75.00858	0.6
83.69286	0.4
94.64915	0.4
95.02505	3.2
96.32937	0.5
96.96976	0.5
98.02496	1.0
101.02443	14.8
105.01937	3.3
111.02003	2.4
113.03563	28.7
114.01971	16.2
116.03547	0.5
128.03418	0.4
131.04622	100.0
133.01465	0.6
150.39935	0.4
165.03961	0.8
173.05658	1.0
179.48955	0.5
185.05687	0.8
191.05653	0.7
197.65428	0.4
199.62573	0.5
203.06750	18.0
227.20361	0.5
292.02744	0.5
313.17395	0.5
349.11316	0.5
360.01355	0.5
380.96237	0.5
463.15622	0.6
481.16812	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16568	0.9
50.80238	0.8
59.01384	18.4
71.01373	5.8
73.02942	9.9
74.58917	1.0
78.95910	1.5
83.01385	2.5
89.02445	4.2
101.02447	10.5
101.49979	1.1
113.02423	1.7
119.05054	1.3
132.02130	1.9
133.02934	6.1
134.03767	14.1
136.01651	4.5
147.04515	2.5
148.05318	4.5
149.05998	2.0
152.60841	1.1
160.01665	56.9
161.04507	1.2
175.04004	98.5
193.05052	11.0
421.14798	2.1
439.15878	1.5
479.74701	1.2
481.17209	100.0
501.43307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01092	0.7
55.97304	0.7
56.21016	0.6
57.29009	0.6
59.01374	0.9
61.98833	7.1
61.99094	0.8
63.02221	0.7
64.92528	0.7
66.91533	0.8
71.01374	1.9
72.99306	41.2
75.00869	13.7
86.55886	0.7
90.08338	0.9
101.02473	1.0
110.94251	0.9
115.45647	0.8
115.61349	0.9
146.82124	0.8
149.02438	5.4
150.03308	0.8
151.03938	1.1
152.01108	0.8
152.04741	1.4
153.05550	4.0
163.03973	1.2
164.04793	28.0
165.01857	1.8
166.02719	3.8
177.05510	1.2
178.06323	1.6
179.03534	8.4
179.07144	15.5
180.04243	5.0
181.05112	1.6
183.06593	3.5
189.91472	0.8
194.05801	6.1
195.06578	7.0
195.83798	0.9
206.97050	0.8
207.02922	1.6
208.03769	4.4
222.05316	8.0
223.06149	9.3
225.07875	1.0
235.06139	0.8
241.07162	13.3
250.60294	0.9
255.08678	1.2
274.15753	1.9
319.15582	0.9
319.19135	1.3
357.84033	0.9
442.51691	0.9
463.16010	1.8
481.17197	100.0
481.27249	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1854
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
59.01375	9.2
71.01377	4.6
75.00871	9.7
78.95912	17.2
83.06197	2.2
84.87765	2.1
95.62865	2.5
96.96963	4.8
101.02451	5.1
113.02425	4.9
121.74237	2.2
152.99586	50.7
161.04514	3.7
171.00679	3.1
201.82687	2.4
205.01257	2.2
221.05917	2.6
275.16403	2.9
351.82016	3.1
421.20792	14.4
445.20895	19.9
481.17978	100.0
507.84885	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1855
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
50.13122	1.9
54.11266	2.0
54.59758	2.0
59.01394	19.9
59.63872	2.9
64.12360	2.4
71.01379	26.4
71.47073	2.9
73.02955	5.8
85.02967	18.8
88.99236	2.4
89.02435	17.1
89.40487	2.8
90.27485	2.5
91.07882	2.6
99.00870	2.9
101.02451	43.5
113.02450	27.6
141.15585	2.4
161.04562	20.7
164.79529	2.6
205.12424	3.6
215.45384	2.9
260.22949	3.1
266.65094	2.6
275.16617	6.7
289.16660	26.1
292.16031	3.3
313.16556	6.6
360.88403	2.8
421.20831	76.7
445.20840	78.0
461.78955	3.1
481.18423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1854
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
56.53680	1.7
56.66666	1.8
59.01390	9.9
60.72057	1.6
61.98840	15.8
64.27869	1.8
64.62756	1.8
68.26501	1.8
71.01382	20.2
73.02953	8.0
78.95905	35.9
82.99992	1.8
85.02940	11.0
89.02443	3.9
94.77040	1.8
96.96014	2.1
96.96966	2.6
99.00867	4.6
101.02447	19.4
113.02447	12.6
151.06860	2.0
152.99565	41.4
161.04553	14.1
171.00626	11.3
313.16559	9.2
421.20972	4.1
445.20837	100.0
481.18631	57.9
509.43030	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03442	0.7
57.47601	0.7
58.96111	0.7
60.30623	0.8
72.00894	3.4
96.00895	1.3
97.04070	1.8
98.02475	1.8
99.05605	6.7
108.38505	0.9
109.01649	1.5
113.03575	10.4
118.06592	4.6
125.03591	0.9
126.04324	8.8
126.35239	0.8
133.40205	0.8
147.04526	23.2
148.07678	1.7
148.24174	0.9
152.41541	0.9
156.79359	0.9
157.06583	0.8
158.82391	0.8
164.07170	100.0
175.08754	5.3
181.06233	6.4
199.08823	2.0
200.07213	6.2
207.64125	0.8
217.09790	6.9
244.06207	1.7
244.09438	0.9
261.08795	15.1
316.11710	3.5
349.40283	0.9
361.15277	19.6
481.19431	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48561	1.2
59.01388	11.9
69.51753	1.4
71.01369	7.1
72.99311	1.6
73.02956	1.8
75.00865	12.8
78.95896	1.3
82.40097	1.2
85.02966	2.2
89.02434	2.7
99.69523	1.3
101.02446	5.2
113.02444	7.5
122.03733	7.9
135.04529	56.0
136.05302	2.8
137.11894	1.3
137.76709	1.3
139.59282	1.3
148.05305	3.3
152.99594	2.2
161.04497	2.4
164.04776	5.9
175.07674	2.4
187.11290	2.3
205.12344	41.1
257.15451	2.9
274.15775	100.0
275.16568	85.0
358.39331	1.4
423.17096	1.5
463.93597	1.5
481.20813	55.5
481.26755	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05622	0.4
62.20891	0.4
78.95902	42.7
80.96484	0.6
96.96961	4.7
111.43027	0.4
122.25565	0.5
150.98036	0.7
152.99588	100.0
171.00636	4.2
171.10301	1.7
185.11841	0.8
209.11867	2.2
250.86084	0.5
381.13013	0.6
481.22174	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2216
Annotation	Dulciol C
Peak:m/z	Relative Intensity
51.81147	0.4
57.21600	0.5
63.27461	0.4
67.15649	0.4
71.25748	0.4
77.14661	0.4
78.95900	33.4
92.52600	0.5
96.96950	4.9
137.09708	0.6
150.97981	1.1
152.99583	100.0
160.00659	0.6
171.00642	3.9
171.10257	2.1
185.11906	0.5
191.39334	0.5
481.22116	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06169	0.9
55.11507	1.4
57.03452	1.4
59.01380	21.1
61.98833	32.5
70.83794	1.0
71.01379	35.9
73.02938	16.2
77.24425	1.1
78.86019	1.1
78.95906	13.3
83.01390	5.1
85.02945	21.3
87.00874	1.5
89.02439	5.1
95.01380	1.8
99.00856	4.7
101.02441	40.9
111.77093	1.3
113.02454	18.7
143.03502	1.3
152.99597	7.3
159.02986	2.4
161.04550	11.7
171.00569	1.9
289.16577	27.8
313.16907	1.2
398.39417	1.6
421.20868	100.0
445.20758	5.0
477.55466	1.7
481.18311	11.4
481.22507	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81231	2.2
59.01385	46.5
61.98824	3.1
71.01380	39.7
73.02953	23.8
75.00902	2.8
83.01380	4.8
85.02950	17.4
89.02445	31.1
96.21674	2.1
99.00875	41.0
101.02436	60.4
113.02461	41.8
115.71045	2.1
119.03492	9.9
119.05011	3.7
131.03510	3.3
140.88248	2.2
143.03389	3.4
145.02846	6.9
149.06056	4.4
160.01611	2.7
161.02438	30.4
161.04553	14.1
163.04066	3.1
167.82622	2.5
169.12366	4.5
172.38838	2.2
175.04056	3.6
177.05548	4.2
187.13388	3.2
191.05643	4.0
237.49982	2.4
263.15002	9.3
289.16553	33.1
326.20102	2.3
332.13083	2.2
349.18665	5.1
421.20847	100.0
421.26230	4.6
431.86337	2.3
437.20435	27.5
481.17072	16.0
481.23178	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90510	1.1
56.88678	1.1
59.01379	22.4
63.41002	1.0
70.08804	1.0
71.01379	31.2
73.02936	14.1
81.65012	1.0
83.01377	2.5
85.02957	13.3
89.02447	14.8
97.02978	1.2
99.00862	6.7
101.02437	40.9
113.02457	19.3
119.03441	2.7
125.20348	1.2
143.03500	1.3
149.04617	1.7
159.03023	2.2
161.04553	8.7
191.93134	1.2
193.00574	1.4
289.16614	34.2
421.20868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86148	2.8
59.01388	42.9
65.82534	3.1
71.01383	44.2
73.02955	6.5
83.01385	4.0
85.02959	7.1
86.01846	3.2
88.99079	3.0
89.02437	42.7
101.02428	36.9
113.02454	21.3
119.03504	8.5
131.03470	7.0
149.04549	4.2
164.07240	4.0
187.13425	7.1
231.46130	3.6
239.82491	3.6
255.28470	3.7
266.21078	3.4
341.38684	3.7
349.18674	35.2
433.34805	3.6
481.23050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66527	0.5
61.15417	0.5
66.74649	0.6
78.95889	1.4
92.88743	0.6
96.75716	0.6
100.66433	0.5
125.09737	0.8
152.99574	8.0
171.00684	0.9
186.98257	0.9
187.09706	1.0
229.16469	0.7
237.14973	0.8
241.59749	0.7
253.21736	100.0
270.18628	0.7
292.67453	0.7
481.19116	1.6
481.25800	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05458	0.4
55.59098	0.4
56.99664	0.4
60.06852	0.4
78.95538	0.5
78.95880	3.3
102.34611	0.4
117.27336	0.4
136.05652	0.4
147.26561	0.5
152.99582	8.2
165.89191	0.5
171.00737	0.6
227.03395	1.0
245.04332	0.6
253.21747	100.0
372.28922	0.4
407.27365	0.6
481.25629	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96774	0.9
72.53429	0.9
78.95905	6.8
152.99585	22.2
194.28755	1.0
227.03168	1.1
239.12610	1.2
245.04124	1.5
253.21750	100.0
358.09863	1.0
419.63934	1.2
466.09616	1.2
481.25809	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85155	0.6
52.59842	0.6
54.34404	0.7
54.80601	0.7
57.32916	0.6
61.53498	0.7
63.24221	0.7
66.80779	0.9
73.34665	0.8
78.95900	9.9
80.43810	0.8
89.06257	0.8
91.63024	0.9
91.66109	0.8
104.25225	0.7
152.99585	44.4
171.00580	9.2
172.88469	0.8
223.81256	0.8
227.03201	2.0
245.04320	23.8
253.21754	12.0
426.76715	1.0
481.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	6.7
82.44977	0.5
94.63141	0.5
96.96967	0.9
98.58372	0.5
103.54498	0.6
103.98136	0.5
113.38864	0.5
152.99586	25.3
171.00674	0.9
227.03317	2.1
253.21745	100.0
280.96094	0.5
406.50232	0.6
481.25748	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39533	0.8
68.90471	0.8
78.95900	16.8
80.96317	1.6
96.96971	1.6
120.68185	1.0
141.81020	0.9
152.99590	57.2
171.00679	11.6
173.01027	1.8
215.35089	1.0
245.04317	33.0
245.52390	1.1
253.21710	14.9
256.83948	1.1
389.20450	1.2
481.25638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29145	1.3
54.70873	1.2
61.54278	1.4
78.95901	17.4
90.53457	1.6
92.22468	1.7
94.52776	1.1
116.77997	1.4
117.50018	1.4
152.99591	47.1
171.00650	16.4
187.74704	1.5
245.04323	60.3
248.66212	1.9
253.21788	27.8
296.00317	1.4
398.18527	1.5
481.25751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31743	0.9
52.60019	0.8
54.29294	0.8
57.58358	0.9
64.22600	0.8
69.92402	0.9
72.08827	0.9
73.90379	0.8
78.15352	0.8
78.95898	11.6
94.89390	0.9
102.09855	1.1
107.32329	0.9
142.54758	1.0
152.99577	60.0
171.00630	10.0
227.03285	2.4
230.65149	0.9
245.04333	29.7
253.21716	13.8
317.46371	1.0
364.94708	1.1
379.44714	1.1
481.25772	100.0
491.14813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12528	0.4
60.88964	0.4
73.69750	0.5
78.95906	2.3
117.09772	0.5
117.17915	0.5
152.99582	9.4
227.03209	1.0
253.21751	100.0
300.68469	0.6
336.23102	0.6
409.61340	0.5
440.54465	0.6
481.25763	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30370	0.7
65.56548	0.7
74.44344	0.7
77.98425	0.7
78.95891	12.7
79.25847	0.9
80.58609	0.8
133.77316	0.9
148.33621	0.8
152.99594	56.9
162.96675	0.8
171.00662	12.0
171.30141	0.9
227.03221	2.0
245.04315	36.1
245.59610	1.1
253.21771	17.1
433.24756	0.9
476.63568	0.9
481.25754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69366	1.1
60.95364	1.4
63.98318	1.1
68.29804	1.2
99.92572	2.4
100.93361	33.9
115.92069	100.0
122.39943	1.3
135.44807	1.8
143.03860	1.4
145.59039	1.5
202.95003	1.4
481.26270	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03442	1.8
59.01382	26.0
61.98833	1.1
71.01376	39.3
73.02939	18.5
83.01390	8.7
83.05015	1.3
85.02946	27.0
87.00908	1.8
88.54479	1.5
89.02510	1.4
92.23112	1.7
95.01393	2.1
99.00900	5.7
101.02438	48.1
111.04554	1.6
113.02425	17.9
123.27984	1.2
125.02386	1.8
137.02443	2.7
143.03442	1.3
148.96146	1.7
159.03009	2.4
161.04558	14.1
172.34882	1.3
319.22870	2.5
350.57269	1.4
481.28326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2814
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
50.90487	0.9
50.93717	0.9
53.26939	1.1
54.42136	1.0
55.01875	4.8
55.41665	1.0
57.03432	1.0
59.01385	30.0
63.09563	1.0
71.01378	37.2
71.39275	1.3
73.02944	14.3
75.41257	1.0
79.06883	1.2
83.01389	10.6
85.02946	22.0
87.00868	1.7
89.02416	1.6
93.03465	1.8
95.01370	2.0
97.02917	1.7
99.00869	5.0
101.02439	46.1
111.04501	2.4
113.02434	20.7
137.02461	1.6
143.03387	1.7
152.99698	1.4
161.04570	16.3
166.27916	1.2
166.29185	1.3
325.20285	1.9
410.97430	1.5
413.39832	1.3
429.94617	1.7
481.28281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
59.01380	13.1
61.98827	0.8
67.21441	0.9
71.01375	17.3
73.02943	10.9
83.01392	6.4
85.02956	11.4
89.02444	2.1
97.06593	0.9
99.00865	4.6
101.02439	21.9
109.17828	0.8
112.15891	0.9
113.02460	12.3
114.78058	1.0
140.28880	1.0
143.03598	1.0
159.58363	0.9
161.04549	9.2
168.51027	0.9
173.04514	2.1
180.23073	1.0
232.13307	0.9
271.20728	2.0
276.71686	0.9
299.20197	16.6
307.19046	1.7
319.22812	78.3
471.61407	1.0
481.28140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78461	0.7
55.01882	0.7
55.08168	0.8
57.03436	1.1
59.01380	13.1
61.20409	0.7
61.98838	1.0
63.70021	0.8
68.75593	0.9
71.01380	19.1
73.02943	7.5
83.01395	1.3
85.02943	11.4
89.02446	4.4
89.81928	0.8
91.48055	0.9
92.23096	1.6
92.59556	0.9
95.01394	0.9
99.00905	1.7
101.02444	23.1
106.23062	1.0
111.35663	0.8
113.02413	7.0
129.78516	0.9
135.82529	0.9
144.79155	0.8
152.99556	1.3
159.03085	1.2
161.04556	3.6
256.05679	0.9
299.20148	16.2
319.22809	69.7
465.73203	1.0
481.28180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58443	1.0
56.33862	1.1
70.26615	1.4
78.95902	1.6
96.04520	2.3
97.06588	7.6
103.42341	1.2
123.08163	5.3
125.09717	96.6
136.83040	1.4
139.11264	2.1
169.08672	5.0
171.10287	15.9
177.30446	1.4
185.11830	2.3
187.09761	39.6
211.13531	1.7
293.21295	6.8
311.22473	9.1
421.28171	2.3
463.30161	1.8
481.31757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85801	3.6
56.22136	2.8
57.54428	2.8
76.45366	4.0
78.95938	4.7
79.95744	5.0
89.19333	3.0
92.32894	3.2
97.06586	5.2
123.08123	5.2
125.09695	74.3
152.99568	6.7
169.73393	3.5
187.09761	41.0
261.94543	3.4
293.21231	17.0
311.22342	51.8
481.24338	5.6
481.31808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79738	5.5
57.93538	5.9
69.03461	7.4
113.06068	8.2
119.08652	12.9
124.22116	6.2
130.20074	7.3
137.06004	6.7
137.09731	12.8
181.08681	10.7
185.06126	7.1
199.09802	32.2
225.07776	63.0
243.08676	27.3
255.23320	55.1
465.60812	8.6
481.31735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.354
Annotation	Certonardosterol B4
Peak:m/z	Relative Intensity
62.80842	0.7
69.03428	0.8
69.96337	0.6
70.71855	0.6
71.01376	1.2
71.28373	0.6
77.16347	0.6
87.04505	1.4
95.05029	10.6
97.06582	72.7
113.02448	8.9
115.07642	25.6
125.02437	8.6
141.05591	15.6
153.21452	0.7
159.06621	21.1
185.04529	3.1
193.18121	0.7
198.69209	0.7
406.76022	0.8
481.35403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.354
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26585	1.0
71.01359	1.3
72.66827	0.8
79.85558	0.7
81.49154	0.7
87.04485	2.1
87.14829	0.8
88.43918	0.7
91.08997	0.8
95.05006	11.5
97.06584	83.0
113.02452	11.2
115.07645	24.0
115.86831	0.8
123.04462	1.1
125.02434	10.1
141.05582	17.8
143.21829	0.8
159.06618	22.7
185.04524	3.7
221.64345	0.8
237.94637	0.9
481.35397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49901	2.2
59.01387	4.0
61.98833	18.9
89.72565	2.9
108.40033	3.0
109.06591	10.9
111.04510	3.8
116.12543	2.4
123.08181	25.5
133.06577	5.3
136.05289	25.2
150.03250	4.8
151.07654	100.0
281.24866	3.4
312.91809	3.1
343.75418	3.6
419.35342	42.7
437.36392	35.6
481.29343	6.1
481.35654	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75498	0.7
59.01384	100.0
69.76791	0.9
73.77380	1.0
78.95870	1.2
82.25578	0.9
97.36488	1.0
108.38538	1.0
116.48457	0.9
116.92852	1.8
151.38919	0.9
152.99557	1.3
178.73953	0.9
253.21693	1.3
258.74640	1.0
375.33624	6.9
403.32852	1.5
421.34427	43.1
481.18976	3.8
481.26624	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71678	0.7
58.20471	0.6
61.98833	1.1
63.37358	0.7
68.96981	0.7
70.64378	0.7
72.54317	0.8
75.51207	0.8
79.25009	0.8
98.39448	0.8
100.91255	0.8
122.01242	0.8
128.77356	0.8
139.40491	0.8
142.34982	0.8
201.14653	0.8
273.08041	1.6
275.06076	0.8
276.06693	7.7
288.06659	4.5
289.07434	1.8
301.07501	1.3
303.05585	7.1
304.06192	56.0
313.03348	0.9
315.05417	5.2
316.06198	23.6
317.06937	4.6
318.07745	28.4
319.08524	54.7
329.06906	1.0
331.08585	3.6
332.05698	51.3
333.10095	10.0
334.10840	8.9
346.07205	8.1
347.07986	32.2
360.08878	6.7
362.10385	100.0
394.12952	7.8
406.09390	1.3
438.12003	1.9
482.11032	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
65.64368	0.8
71.66138	0.8
76.04517	0.7
105.03551	0.9
108.02126	1.6
109.02939	1.0
119.41119	1.1
126.05819	0.7
131.03806	1.2
133.74384	0.8
134.03661	1.0
143.03790	1.1
144.04570	14.3
150.06441	0.8
152.84872	0.9
159.03250	1.4
171.03249	10.2
172.04044	6.3
174.01947	1.6
193.14966	0.8
221.27090	0.8
264.04288	5.1
265.05069	12.6
279.06598	14.9
280.07465	11.9
294.08920	8.5
295.09729	13.0
309.11514	0.8
316.06091	3.1
338.18805	0.8
380.09561	1.1
409.09668	1.5
421.52695	0.9
436.08011	1.0
437.09070	15.1
452.11426	12.9
467.13751	21.7
482.16171	100.0
487.64825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97869	0.5
70.09454	0.5
70.86480	0.5
75.66620	0.6
102.24854	0.6
108.02189	1.3
123.04485	1.5
131.03732	1.2
134.03738	1.2
139.02480	0.7
143.03766	3.2
144.04558	16.4
146.02438	0.9
159.03230	3.1
171.03250	9.4
172.04060	5.1
174.01949	1.3
236.32983	0.8
264.04321	4.9
265.05109	11.5
279.06598	12.9
280.07401	11.2
294.08981	8.2
295.09769	11.7
311.14145	0.7
316.06207	3.3
384.57864	0.9
408.08670	0.9
409.09610	2.5
420.08911	2.4
421.09570	1.0
436.08258	2.8
437.09146	14.3
452.11331	10.5
466.13110	1.0
467.13760	19.3
482.16180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26496	0.8
62.20691	0.7
78.95891	5.8
96.96941	1.5
108.02133	1.9
121.02894	1.0
123.04527	1.2
131.03769	1.3
143.03784	1.8
144.04544	20.3
152.99588	13.4
159.03239	3.9
171.03290	7.7
172.04024	9.1
174.01924	4.5
224.04756	1.1
264.04266	6.9
265.05054	12.1
279.06656	15.7
280.07437	13.9
294.08994	7.0
295.09756	14.1
316.06058	1.7
390.06845	1.1
408.08652	1.3
409.09512	3.7
424.11597	1.0
436.08151	3.1
437.08994	16.7
452.11508	15.9
464.17642	3.4
466.12949	1.2
467.13855	21.0
482.16077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84883	0.7
108.02142	3.0
111.28429	0.6
111.53162	0.7
121.02931	1.7
122.38389	0.8
131.03781	1.2
134.03673	1.0
143.03760	1.7
144.04544	17.5
146.02527	0.7
147.00920	0.7
149.06058	0.8
159.03249	3.4
170.02528	0.8
171.03233	9.7
172.04054	8.7
174.01942	2.9
201.18916	0.8
264.04285	5.4
265.05045	13.2
279.06628	13.0
280.07437	13.0
294.08926	8.4
295.09766	13.3
316.06116	3.2
409.09698	2.8
424.11520	0.8
436.08197	2.7
437.09119	11.7
452.11389	12.9
467.13776	18.6
482.16132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12561	0.8
50.14612	0.8
58.00565	0.8
63.51054	1.0
73.44495	0.9
78.95896	2.1
84.94450	0.9
108.02156	1.5
109.47863	1.0
110.33841	1.0
121.02940	1.6
123.04536	1.0
129.38365	1.1
131.03781	1.8
134.03670	1.6
141.57516	0.9
143.03786	3.9
144.04547	20.8
146.02519	1.3
152.99580	8.5
159.03264	2.4
171.03252	8.8
172.04030	9.8
174.02022	2.2
264.04407	5.2
265.04996	14.3
265.44501	1.1
279.06598	14.3
280.07468	14.6
294.09003	8.0
295.09778	15.4
316.06256	1.8
348.19995	1.1
353.07416	1.0
371.67111	1.1
408.09073	1.4
409.09897	1.6
434.06683	1.9
436.08154	1.7
437.09097	18.9
452.11810	12.7
459.15179	1.3
464.11761	1.6
467.13846	18.4
482.16315	100.0
482.22055	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25409	1.1
69.16787	1.4
71.01378	8.9
71.05026	1.9
80.20839	1.5
88.04037	85.5
88.67510	1.6
94.07278	1.5
102.82968	1.2
103.83266	1.2
146.08229	46.1
155.89833	1.4
179.72450	1.4
196.44060	1.6
212.30231	1.4
218.10342	100.0
307.07455	2.3
308.07938	7.4
323.10370	7.0
367.09235	2.4
426.61227	1.8
437.44894	1.5
480.81433	1.6
482.14667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11703	1.1
57.97579	2.6
59.01378	7.0
62.63899	1.0
66.03493	11.1
94.02982	38.3
96.04549	100.0
98.51817	1.2
109.16008	1.2
140.03539	40.2
143.49301	1.2
152.07149	2.5
154.05122	1.5
180.87543	1.5
196.06174	3.0
225.22203	10.2
255.23373	8.6
281.24893	25.5
404.28305	1.4
422.29205	91.5
504.44995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03455	12.9
59.01385	5.1
60.73323	0.6
62.26860	0.9
64.72684	0.7
67.25368	0.7
70.87178	0.8
71.01379	1.1
72.99297	1.4
75.00858	1.5
83.01377	1.1
84.02135	1.0
85.02948	100.0
87.00908	1.2
89.02475	1.2
101.02431	0.8
103.00354	1.1
111.00878	4.6
113.02451	1.7
118.92988	0.9
129.01942	5.6
134.03725	1.4
145.02950	1.4
147.02997	14.1
149.06084	1.0
173.00995	1.0
191.01999	45.5
191.05643	1.2
207.99835	0.9
209.03023	1.3
291.08655	1.6
368.57813	0.9
465.10019	1.0
483.11169	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02036	0.4
56.42885	0.5
68.02214	0.4
73.58371	0.5
75.56929	0.5
122.29302	0.5
177.38527	0.5
206.99370	100.0
208.00204	4.8
222.01717	39.3
223.02570	0.9
232.74614	0.5
340.36740	0.5
344.46783	0.6
468.08905	1.0
483.11505	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	9.4
59.01392	8.0
62.25312	0.9
71.01376	1.9
75.00832	1.0
83.01421	1.6
84.02164	1.2
85.02945	100.0
89.02467	1.6
108.04385	1.0
111.00877	2.2
115.00336	1.4
129.01920	7.1
134.03757	1.5
147.03032	10.9
191.01990	47.3
193.31920	1.2
260.48328	1.1
291.08835	1.3
308.65698	1.1
474.11322	1.4
483.11139	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79643	0.6
67.67336	0.6
71.45909	0.7
83.83871	0.6
85.02998	0.7
97.02954	1.7
115.04008	8.5
121.02793	0.7
178.99814	1.5
180.00755	1.0
190.99997	0.8
205.98560	3.8
206.02255	0.9
206.99362	100.0
208.00140	37.5
208.02083	1.6
209.00969	1.1
217.01488	0.9
218.99342	0.9
221.00925	2.8
222.01718	11.8
223.02496	14.7
234.01955	1.0
240.30841	0.8
253.84219	0.9
285.11487	0.7
291.32626	0.7
337.46857	0.8
338.57071	0.7
367.06833	3.2
380.09122	1.0
423.51892	0.8
468.09656	1.0
483.11557	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80492	0.3
66.78324	0.4
85.02949	0.7
90.29773	0.4
97.02974	0.6
113.11541	0.4
115.03963	0.9
125.49221	0.4
151.00375	0.5
178.99796	0.5
204.00601	1.6
205.98622	2.6
206.99361	59.1
208.00150	100.0
221.00931	1.0
222.01686	15.2
222.03719	0.6
223.02499	24.9
226.05978	0.5
352.04504	0.8
367.06784	1.8
385.07648	1.0
483.11502	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03458	10.7
59.01385	5.0
60.69552	0.6
71.01392	1.0
73.57524	0.6
74.99103	0.6
78.48769	0.6
83.01411	0.8
84.02155	0.7
85.02947	100.0
87.98830	0.7
109.71654	0.6
110.22008	0.7
111.00869	1.6
129.01942	6.6
134.03691	0.9
136.99083	0.9
147.03008	10.5
149.06071	1.4
173.00961	1.2
191.02003	42.0
227.39857	0.6
251.40445	0.7
291.08841	0.9
483.11429	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60314	0.7
53.91096	0.9
59.01369	1.7
71.01360	1.0
78.95905	6.4
85.02939	2.0
93.03444	4.4
96.95990	1.9
97.43606	0.9
103.62586	1.0
111.04520	14.1
137.02440	1.2
141.01669	1.7
152.99562	20.2
153.99878	1.4
155.00081	1.3
155.03526	1.8
162.01979	5.4
171.10316	1.3
173.04550	6.6
176.03542	3.8
177.04289	2.1
183.13809	1.5
192.06679	100.0
202.52321	1.3
204.03064	18.8
204.06654	13.9
219.09052	1.0
230.04547	10.6
245.06920	14.7
248.05849	1.2
260.09323	8.8
263.07904	1.2
278.10361	38.5
327.21732	10.6
341.30933	1.2
380.14188	1.2
483.14136	40.1
483.23343	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65766	0.6
58.47849	0.5
59.01377	1.5
69.20341	0.6
72.45354	0.6
89.20186	0.6
104.78113	0.6
110.86926	0.6
134.03751	1.2
135.04517	1.3
149.02429	13.8
151.04019	0.7
152.01135	5.1
161.02394	1.3
163.04008	3.8
164.04803	40.5
167.03502	1.2
169.05046	2.3
179.07153	11.7
193.01460	7.9
205.05164	0.9
208.03792	74.6
223.06140	100.0
238.04291	0.7
248.81548	0.7
263.61249	0.7
385.11426	7.9
429.30823	0.8
483.15112	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.4
65.60470	1.7
71.01389	9.7
89.02440	8.7
96.96009	29.5
101.02429	3.3
113.02463	3.8
133.16441	2.0
142.19104	2.5
149.02449	4.4
163.03975	2.9
164.04779	42.5
175.00320	5.3
179.07092	15.5
190.02740	70.1
205.05089	100.0
205.07016	3.3
206.05913	15.6
208.03766	8.6
221.08128	25.8
223.06148	61.9
225.18361	2.2
237.07552	3.3
247.06209	2.7
250.04890	4.6
265.07202	47.9
295.08243	30.7
325.09286	48.4
367.10577	2.4
385.11502	18.0
483.15137	57.2
491.67517	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44095	1.8
59.01381	19.1
71.01379	10.4
85.02924	2.3
85.67519	2.1
89.02422	10.4
92.23096	2.1
96.95976	2.1
97.02930	7.1
101.02399	3.8
113.02427	8.7
149.02406	11.1
150.03252	2.5
164.04802	39.5
175.04059	2.6
176.01131	9.9
179.07135	11.5
188.04759	1.9
190.02705	36.7
191.03503	21.6
203.07214	2.5
205.05075	60.5
206.05847	32.2
208.03760	8.3
221.08176	50.3
222.05328	2.9
223.06125	65.0
233.55537	1.8
237.07651	17.0
250.04800	20.9
265.07187	91.6
277.09204	10.8
295.08139	15.0
311.14801	2.2
325.09134	12.9
339.91541	2.2
367.10583	2.0
385.11258	3.1
483.15106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37089	1.4
56.81488	1.6
59.01368	13.2
60.16544	1.6
71.01386	8.4
83.01404	2.8
89.02445	8.0
91.19846	1.9
91.48087	1.7
93.05285	2.2
101.02451	3.7
101.83616	1.9
109.02946	27.3
111.33239	1.7
113.02444	2.5
118.13438	1.8
139.75711	2.1
147.04495	9.4
148.19724	2.2
149.02411	9.7
163.04034	2.0
164.04764	27.8
174.23868	2.0
175.00327	3.6
175.03990	18.6
177.56442	1.7
179.07126	10.6
190.02747	58.1
191.03497	3.2
193.05096	2.1
205.05072	78.3
206.05893	16.0
208.03766	7.4
219.02998	37.0
221.08189	20.4
223.06131	45.4
236.42500	2.1
240.34709	1.9
247.06302	2.3
250.04752	4.1
265.07175	38.5
295.08261	35.7
300.77930	1.7
325.09311	41.3
349.23685	1.9
385.11356	12.8
483.15106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94345	0.5
56.39554	0.5
59.01391	4.8
69.67708	0.6
71.01382	1.2
72.99287	0.8
112.06756	0.7
113.81442	0.6
113.82254	0.6
135.04524	23.1
136.05338	1.3
141.19690	0.7
164.04759	3.8
177.09279	0.7
190.10019	100.0
191.10789	30.9
205.08688	1.1
221.41498	0.7
233.11838	1.1
240.08434	0.9
301.33929	0.7
335.15292	0.7
395.17258	8.6
439.16165	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40394	0.8
61.54559	0.8
92.23080	1.1
96.96001	100.0
107.01009	0.9
111.96399	0.8
121.59345	0.9
261.95377	0.8
280.80212	1.0
485.97772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75774	0.3
61.78528	0.3
79.95737	0.9
93.03444	0.4
96.96005	100.0
99.19201	0.4
120.93445	0.4
123.07758	0.4
140.79332	0.5
159.74696	0.4
191.05655	0.9
202.56143	0.4
231.16333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39454	1.6
58.56240	1.5
59.01383	29.5
61.98835	2.9
75.00867	41.5
85.02951	1.8
103.00373	100.0
103.04003	10.2
108.24358	2.0
139.10463	1.3
142.63458	1.7
177.37161	1.6
178.75293	1.6
222.61111	1.6
254.58221	1.5
395.88876	1.5
463.93945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11720	3.0
61.51856	2.6
73.41028	3.2
86.45866	3.6
92.05038	25.4
92.23138	6.6
116.05043	13.5
128.18141	3.7
169.07712	79.4
171.09311	15.8
171.68213	3.4
183.09227	4.3
184.07649	27.5
216.44675	3.9
227.08241	4.0
234.09239	7.9
260.10666	6.3
275.11841	7.2
277.10754	4.1
277.13477	65.3
321.12460	83.7
380.97366	3.8
431.68460	3.7
483.17813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1778
Annotation	Naucleofficine C
Peak:m/z	Relative Intensity
50.80533	1.4
56.57951	1.2
72.00876	2.2
83.76078	1.5
93.03451	2.4
116.05060	41.6
119.04990	14.9
125.50159	1.4
133.05312	2.1
148.07675	9.7
156.06898	2.7
160.07643	7.7
168.04994	1.7
169.07719	48.1
171.09303	8.6
183.09323	3.2
184.07680	3.1
192.06757	3.0
205.12083	1.7
213.06665	2.4
227.08286	2.6
234.09267	12.4
246.09230	3.2
248.10847	2.5
260.10843	7.8
277.13495	81.5
321.12494	92.1
321.16327	3.1
483.17825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57995	0.5
73.04211	0.6
88.14725	0.6
121.02954	100.0
243.52281	0.7
263.56046	0.7
309.72778	0.7
402.16223	0.8
473.08481	0.6
507.08328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1877
Annotation	Globulusin A
Peak:m/z	Relative Intensity
56.73006	0.3
57.56395	0.4
57.84719	0.4
59.01387	0.5
65.28547	0.4
70.33719	0.4
71.01397	1.6
72.99291	0.5
85.02954	0.5
99.00841	0.6
101.02401	0.8
113.02451	0.6
123.00871	6.5
124.01624	1.9
125.02437	3.0
139.00380	0.6
140.01166	0.5
141.01941	2.0
141.20808	0.5
151.00368	11.9
168.00598	2.2
169.01422	14.7
191.05649	3.5
193.05083	0.6
265.11292	0.5
287.09088	0.5
313.05634	2.5
336.12762	0.5
367.10324	1.7
483.18777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
50.20738	1.1
51.25981	1.0
52.55145	1.0
53.69157	2.8
58.44566	1.1
59.01382	6.6
62.21014	1.0
62.50981	1.1
71.01369	9.7
73.02936	1.8
78.95899	44.2
81.18673	1.1
85.02938	2.9
85.59865	1.3
89.02433	1.5
96.96943	6.1
99.00883	2.8
99.46445	1.2
101.02403	15.3
113.02441	8.0
116.96577	1.4
129.45454	1.4
152.99579	100.0
159.02957	2.1
161.04561	17.9
161.67207	1.5
171.00667	8.0
172.03738	1.2
193.08737	2.5
199.96581	1.5
213.64981	1.3
216.51979	1.5
219.06659	7.1
231.30026	1.2
236.79994	1.6
264.04391	1.5
280.06744	1.5
295.10013	2.0
315.18201	13.9
447.22394	82.2
468.13925	2.5
483.19547	24.8
483.23572	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
56.17983	1.3
64.42088	1.6
69.03060	1.4
71.01391	1.8
73.70050	1.4
78.95887	2.9
83.95605	1.5
101.02422	2.8
152.99612	12.0
297.04825	1.8
347.46118	1.6
348.64264	1.6
423.22272	3.9
447.22552	6.3
483.19965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43631	4.3
63.86725	4.8
68.33873	4.4
69.89864	4.3
70.13460	4.5
71.47701	4.3
78.03573	5.0
78.95903	29.9
79.95743	33.3
80.96546	5.4
96.96012	44.9
117.21213	5.2
144.04559	5.9
152.99593	27.2
162.62404	4.7
200.20264	5.0
220.60527	5.6
237.08180	6.4
248.83099	5.5
264.94910	5.7
280.06973	11.4
315.21265	6.0
438.09128	9.8
468.13940	10.9
483.16220	28.3
483.22211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02814	1.9
51.44185	2.3
51.78373	2.2
53.58517	2.1
53.78060	2.2
57.16923	2.6
58.87846	2.4
59.01380	3.8
71.01382	4.2
73.02942	3.5
75.56882	2.4
77.07605	2.3
78.84241	2.7
78.95897	76.0
96.96010	23.9
96.96939	10.5
101.02435	11.8
107.87144	2.5
144.04515	5.9
152.98340	3.3
152.99565	100.0
160.00708	2.7
161.04597	4.4
171.00685	15.6
237.07799	3.2
265.05020	3.4
280.07129	4.3
295.09372	6.4
315.18280	4.2
340.69196	3.2
438.09491	4.8
447.22531	32.5
453.11115	3.9
467.14020	2.9
468.14038	5.6
483.16217	19.4
483.23001	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34229	0.7
59.01391	0.9
65.20441	0.8
72.62306	0.8
73.02943	0.8
78.95899	12.0
79.95732	15.6
80.96519	2.0
83.24570	0.8
90.37563	0.8
92.22478	1.1
95.95219	1.6
96.96000	61.4
96.96937	1.7
126.79173	0.9
152.99594	14.0
182.47507	0.9
204.93280	1.0
209.04831	1.2
213.22995	0.8
222.54695	0.8
229.14523	1.0
237.08070	8.2
240.39027	0.9
352.86975	1.1
383.13983	3.5
409.19257	1.6
410.06445	1.2
425.08847	1.6
435.07162	1.8
453.07776	1.4
454.09128	0.9
465.11862	1.7
483.12222	2.5
483.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2359
Annotation	Segetalin B
Peak:m/z	Relative Intensity
53.23869	0.4
59.01378	2.6
59.17247	0.5
66.72194	0.5
67.94566	0.5
71.01385	1.2
73.02934	1.2
78.95903	61.0
79.25477	0.5
83.01439	0.7
85.02946	0.9
89.02442	0.6
92.22555	0.8
96.96961	6.7
101.02425	4.8
113.02456	1.2
151.55220	0.5
152.99586	100.0
161.04599	0.8
171.00644	8.9
171.10252	0.7
171.93758	0.6
188.14137	0.7
211.13422	0.5
291.18253	4.4
391.18976	2.4
423.22495	9.9
483.23694	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02145	0.4
56.02998	0.3
59.05651	0.3
78.95898	27.6
96.96944	4.7
116.06738	0.4
150.98056	0.8
152.99586	100.0
171.00664	3.8
171.10219	0.5
211.13426	0.6
217.74065	0.4
329.23251	0.6
389.57922	0.5
483.23834	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2368
Annotation	Segetalin B
Peak:m/z	Relative Intensity
78.27583	0.4
78.95899	31.2
81.45981	0.5
96.96947	4.1
106.40291	0.4
108.67952	0.4
108.68764	0.4
139.11198	0.4
144.04517	2.0
150.98024	0.7
152.99580	100.0
158.19341	0.4
164.41420	0.4
171.00620	3.9
171.10274	1.6
211.13220	0.5
222.25978	0.5
251.05243	0.4
265.04865	1.8
266.05286	0.4
279.06717	0.7
280.07019	1.8
281.07870	1.5
295.09366	0.9
296.10101	0.8
321.83493	0.5
329.23419	0.5
410.10220	0.4
438.09296	1.4
453.11713	1.6
462.85114	0.4
468.14059	2.6
483.16574	15.4
483.23697	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.4
59.01382	16.5
69.58551	1.1
71.01381	18.4
73.02953	9.6
78.95924	1.5
83.01398	2.8
85.02937	8.4
89.02451	7.1
99.00896	2.2
101.02435	39.1
113.02413	15.9
125.02448	1.1
143.03479	1.5
159.02968	5.0
161.04530	11.1
163.09114	1.1
291.18170	29.1
384.92346	1.4
410.85828	1.2
423.22424	100.0
483.23996	1.6
492.49335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15123	0.8
59.01100	1.5
59.01380	23.3
71.01379	16.2
72.99304	6.5
73.02937	9.0
75.41560	1.0
83.01386	6.2
85.02940	10.0
89.02430	2.3
92.22591	2.0
97.02945	1.4
99.00870	2.5
101.02438	34.1
103.03978	1.3
113.02446	12.5
125.02456	1.5
136.78603	1.1
159.02953	2.0
161.04584	8.6
164.04817	2.3
190.83916	1.1
205.05161	1.1
223.06088	4.0
245.47737	1.0
277.16556	19.9
284.78284	1.3
423.22415	100.0
448.26782	1.2
457.74557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51475	0.6
57.43835	0.6
59.41596	0.6
61.98830	100.0
79.97653	0.8
92.22511	1.3
92.77375	0.7
95.00988	0.7
104.06797	0.8
105.17989	0.7
113.53559	0.8
114.91257	0.8
121.93060	0.7
152.99608	1.7
168.05803	0.8
255.23257	3.4
408.37607	0.9
483.16647	1.4
483.27356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23987	0.6
61.98834	100.0
63.16604	0.5
69.84097	0.7
133.28450	0.7
152.99541	1.6
186.79657	0.7
210.25235	0.6
232.42203	0.6
252.24129	0.6
255.23320	6.1
483.27399	4.2
483.33624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31165	0.3
78.95903	2.8
92.60789	0.3
107.16966	0.4
116.72250	0.4
152.99586	8.6
171.00609	0.7
223.82751	0.5
227.03275	0.8
233.66048	0.4
245.04234	0.6
255.23322	100.0
337.68677	0.5
483.27362	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87057	0.6
74.43434	0.5
75.55328	0.5
78.95890	5.0
94.50980	0.7
152.99585	24.7
161.02676	0.7
178.60800	0.7
193.01862	0.7
227.03224	2.9
255.23312	100.0
386.98782	0.7
467.66299	0.8
483.27338	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97527	0.3
59.01374	0.5
63.62347	0.3
63.66010	0.3
68.52119	0.3
74.24776	0.3
78.95884	2.6
79.61524	0.3
114.08567	0.3
123.81070	0.3
152.99602	8.6
171.00623	0.6
221.28494	0.4
227.03281	0.8
245.04359	1.2
255.23323	100.0
296.63181	0.3
298.10095	0.3
365.74356	0.3
483.27371	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
78.70102	0.4
78.95899	4.8
92.22570	0.4
152.99579	21.9
171.00661	0.5
171.10173	0.5
224.70311	0.4
227.03300	2.2
245.04375	0.7
255.23317	100.0
483.27332	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12377	0.4
63.91427	0.4
72.75761	0.5
72.86131	0.5
73.89525	0.5
78.95880	5.5
92.73563	0.5
152.99579	23.8
155.51144	0.5
192.76192	0.6
206.77185	0.6
227.03386	2.4
255.23309	100.0
325.07312	0.7
483.27341	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22097	0.5
53.40601	0.5
57.84687	0.5
60.68613	0.5
67.40331	0.7
72.26925	0.6
78.95886	1.3
84.50005	0.5
129.86659	0.6
140.17836	0.6
152.99594	8.7
227.03127	0.8
255.23311	100.0
483.27304	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68262	0.4
56.33075	0.4
78.95909	2.0
84.51180	0.4
106.53719	0.4
111.77563	0.4
111.84727	0.4
115.08607	0.4
129.79362	0.4
152.99596	9.3
183.28769	0.5
219.32143	0.4
224.63960	0.4
245.04326	1.0
255.23323	100.0
271.04434	0.4
350.36041	0.4
483.27328	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91217	0.5
78.95896	5.5
107.24090	0.5
152.99588	24.2
171.00729	1.1
221.16634	0.7
227.03329	1.0
255.23315	100.0
315.31995	0.7
334.09088	0.6
483.27338	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73628	0.3
78.95905	0.5
84.04866	0.3
96.32042	0.3
116.39680	0.4
139.33644	0.4
148.39900	0.5
152.98489	0.4
152.99588	3.4
227.38206	0.4
292.06296	2.3
293.06952	19.0
294.07739	9.6
307.04776	1.5
320.05713	1.5
321.06458	5.6
322.07220	100.0
484.12457	4.2
484.23602	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22570	0.3
57.55869	0.3
61.39248	0.3
66.48202	0.3
69.41626	0.4
77.97497	0.3
96.95994	1.4
102.23081	0.3
212.07594	0.4
278.08255	1.5
292.06158	0.8
292.77243	0.4
293.06961	21.6
294.07764	57.3
320.05569	0.7
321.06451	0.8
322.07233	100.0
360.98221	0.5
484.12534	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50519	0.3
51.92526	0.3
106.73312	0.4
125.23626	0.4
125.24583	0.4
128.11215	0.4
278.08344	1.6
292.06195	0.8
293.06952	18.3
294.07761	48.0
320.05789	0.7
322.07233	100.0
360.68665	0.5
484.12604	10.4
490.67389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50393	0.8
59.01384	12.2
64.90092	0.7
67.75304	0.8
70.91740	0.9
71.01374	13.0
73.02953	6.5
78.56039	0.9
82.22955	0.8
85.02953	1.3
89.02441	13.7
93.63992	0.8
99.00892	12.8
101.02448	9.1
113.02398	1.2
115.03995	1.2
122.09068	0.9
125.02469	1.4
130.06633	7.4
131.03522	1.5
142.06621	4.4
144.04552	6.4
144.08185	13.4
146.06120	28.4
149.04549	1.8
156.08188	1.4
158.06113	4.4
160.07663	16.8
170.06064	8.8
174.09210	6.2
178.87366	0.9
186.05583	6.7
188.07188	27.9
190.05119	5.6
191.05620	1.4
200.07205	1.7
206.08189	1.2
214.27776	0.9
218.08278	1.3
230.08089	1.0
232.06157	4.4
254.08344	1.2
261.62479	1.0
308.11307	1.2
310.99561	0.9
440.15671	9.4
484.14679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.3
60.90859	0.9
69.82043	1.1
70.28976	1.2
71.01382	13.2
73.02936	7.2
85.02950	1.6
89.02435	19.6
96.25925	1.0
99.00890	16.9
101.02441	8.9
113.02435	1.8
115.03979	1.3
130.06635	8.5
131.03462	2.4
142.06610	5.5
144.04536	5.8
144.08179	16.0
146.06136	21.3
156.08185	1.2
158.06102	5.3
160.07687	20.3
170.06166	9.5
172.39616	1.2
174.09279	2.0
178.91969	1.2
186.05592	7.4
188.07190	29.8
190.05101	7.3
191.05655	1.7
206.08209	1.9
218.08296	2.6
232.06154	4.4
235.94727	1.3
310.12207	1.2
411.54739	1.3
440.15524	13.0
461.98221	1.3
484.14639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06514	0.6
58.61335	0.7
59.01379	16.0
69.03435	0.8
71.01374	16.7
73.02948	8.0
83.01379	1.0
85.02927	0.9
85.47787	0.7
89.02438	19.6
95.47505	0.7
97.02934	1.5
99.00871	13.8
101.02434	12.0
113.02449	1.6
121.95904	0.7
125.02433	1.2
128.04999	0.7
130.06627	8.0
131.03526	1.5
133.40392	0.8
142.06651	5.9
144.04523	9.6
144.08170	14.7
145.05334	1.3
146.06117	27.5
149.04536	3.7
156.08241	1.4
158.06117	3.6
160.07652	16.7
170.06107	8.5
172.07791	0.9
174.09190	6.4
186.05569	8.7
188.07173	32.5
190.05159	7.0
191.05627	3.3
200.07187	1.3
206.08186	1.5
212.56204	0.8
218.08270	3.2
228.10204	0.8
232.06155	3.3
254.08286	1.7
260.85532	0.7
286.50241	0.7
308.11386	1.4
344.15640	0.7
404.12814	0.7
440.15607	7.9
484.14655	100.0
508.69955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39119	0.3
72.00802	0.4
85.02942	2.7
85.59341	0.3
87.00874	0.4
88.47249	0.4
93.03451	0.6
101.02442	1.9
103.50587	0.4
111.04531	0.4
115.93724	0.3
127.04033	0.7
130.08731	19.7
136.89523	0.4
172.09784	0.7
191.05629	100.0
202.10880	4.9
265.22861	0.3
292.14145	5.5
325.41956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
68.57327	0.4
70.00439	0.4
80.96522	1.1
94.04771	0.5
101.33975	0.4
101.62196	0.5
103.36681	0.5
106.59867	0.5
110.40140	0.4
110.69194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2919
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
58.00611	1.0
60.53848	0.9
61.98836	59.2
63.06583	0.9
73.02940	9.6
74.55458	0.9
96.08225	1.7
98.06115	13.8
99.00858	1.2
124.07662	4.5
140.07159	1.3
142.05093	13.2
154.08705	1.7
156.06706	4.4
168.06677	13.8
186.06142	2.0
186.07726	41.7
198.07646	2.3
236.20853	1.0
236.86502	1.1
238.46817	1.0
239.93393	1.0
260.12210	0.9
354.82474	1.0
392.28076	1.9
440.30164	6.7
466.28433	2.0
484.29214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04313	1.4
55.09767	1.3
59.08209	1.4
59.94740	1.3
61.98834	100.0
63.35790	1.2
67.90890	1.4
115.80847	1.5
145.78087	1.6
186.07668	2.1
316.30844	1.6
348.48270	1.8
484.28812	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61644	0.7
61.98816	1.4
71.60210	0.8
78.79115	0.9
88.03669	0.9
97.06573	5.4
103.10674	0.9
114.18147	0.8
123.08173	1.2
125.09713	100.0
152.99567	1.7
158.35243	0.9
169.08691	4.4
169.52785	1.1
187.09770	76.6
191.86325	0.9
195.90858	1.1
220.48918	1.0
255.23372	2.0
256.23703	7.2
454.09061	0.9
484.28122	6.9
484.36475	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03229	0.6
53.09159	0.6
53.51279	0.6
56.56218	0.6
57.03447	0.8
57.16117	0.5
65.21921	0.7
75.57801	0.7
97.06599	5.3
113.11432	0.6
114.77171	0.7
118.65769	0.8
123.08152	1.4
125.09715	100.0
126.17484	0.7
130.83052	0.7
143.10826	1.1
169.08687	1.8
170.11861	1.1
186.11348	2.8
187.09767	79.8
245.09189	0.8
256.23676	1.2
310.74557	0.8
312.25723	0.9
327.50034	0.8
484.36493	78.8
494.47607	0.9
508.64230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72480	0.5
54.37145	0.5
57.03459	0.8
61.98826	0.6
70.02974	0.5
73.02959	1.2
73.95258	0.5
75.82175	0.5
97.06593	3.2
98.03738	0.8
114.07298	0.7
123.08142	0.9
124.81635	0.6
125.09720	57.8
145.49448	0.6
167.25739	0.7
169.08708	1.1
186.11362	14.3
187.09686	5.4
210.11325	0.7
212.12949	4.4
224.12831	5.5
228.12347	0.9
230.13960	13.7
242.14023	1.1
253.21826	1.0
255.23297	1.3
256.23572	3.0
265.21942	2.2
466.35455	3.1
480.19800	0.7
484.36530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81169	0.8
58.39838	1.1
59.01386	9.0
59.01633	1.1
64.41759	0.9
71.01386	7.4
71.05039	0.9
73.02943	1.2
85.02960	1.6
89.02450	2.3
91.05520	12.3
95.01424	1.0
99.04513	2.1
101.02451	7.7
113.02467	7.6
119.03523	1.0
135.04501	7.9
143.86099	1.0
143.98355	1.0
149.02458	7.9
155.88910	0.9
156.76685	1.0
164.04807	18.9
175.00327	5.8
179.07210	4.1
190.02739	78.9
205.05077	85.0
208.03799	1.9
209.04556	2.0
223.06078	13.2
251.05606	1.5
284.27567	1.1
349.18698	4.4
485.16760	100.0
485.24033	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41394	0.4
51.63265	0.6
53.54469	0.4
54.69591	0.5
59.01377	1.5
64.01918	0.5
64.44566	0.6
71.01369	4.3
73.02950	0.9
81.03424	0.7
85.02945	1.2
89.02446	0.9
98.19305	0.6
99.04515	2.8
101.02460	2.3
106.68845	0.6
113.02458	2.4
119.45608	0.7
132.76910	0.6
149.02449	6.7
163.03992	2.1
164.04794	26.3
175.00343	8.2
179.07207	1.3
190.02734	82.5
205.05075	100.0
207.03026	0.7
208.03804	0.6
209.04585	0.6
223.06114	24.1
250.37605	0.6
387.39340	0.7
388.59702	0.6
485.16739	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
65.22084	0.8
71.01364	3.6
72.99336	1.0
73.02943	1.0
81.03467	1.6
85.02917	1.0
99.04528	1.6
101.02448	1.6
113.02432	2.0
139.69653	1.0
149.02422	5.0
163.03870	0.9
164.04808	21.7
175.00404	6.2
179.07120	1.7
190.02731	67.7
191.03568	1.3
205.05069	83.3
208.03847	1.2
209.04544	4.3
223.06116	14.8
251.05402	1.1
265.07483	1.1
485.16718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90362	1.3
59.01385	15.5
67.06989	1.2
71.01380	7.0
89.02433	8.9
92.37793	1.4
101.02408	3.1
112.71284	1.4
113.02378	2.4
119.03535	1.4
149.02438	3.4
150.03165	2.9
164.04813	22.7
176.01163	9.4
178.06422	2.2
179.07167	8.4
190.02716	43.2
191.03499	21.6
192.04492	1.6
205.05067	80.0
206.05850	21.5
207.03090	2.2
208.03804	8.0
221.08211	35.9
222.05301	2.1
222.74292	1.7
223.04012	2.8
223.06108	49.0
237.07697	14.5
250.04906	10.7
265.07199	78.7
279.10806	6.0
289.38934	1.6
295.08270	11.7
325.09381	11.4
347.41486	1.8
385.11481	8.2
485.16693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96097	1.5
59.01375	8.4
68.06406	1.5
68.83063	1.8
71.01384	7.5
81.03474	2.4
85.02929	2.6
99.04543	2.0
101.02448	7.9
113.02433	7.2
116.92871	3.2
128.83182	1.7
149.02448	7.8
149.31729	1.8
164.04808	22.4
190.02750	72.2
205.05066	87.9
209.04324	2.3
210.01700	7.0
223.06113	17.0
225.04095	2.2
251.05290	1.7
300.68533	1.7
385.45398	1.9
425.20361	6.7
485.16745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1675
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
59.01381	3.5
60.24570	0.5
62.94019	0.5
67.15324	0.5
71.01370	4.8
71.05035	0.6
72.81803	0.5
73.02940	0.6
81.03469	2.1
82.88126	0.5
85.02956	2.1
87.00853	1.1
89.02467	0.7
94.68061	0.6
99.04522	2.6
101.02435	3.6
107.85147	0.6
108.94930	0.5
112.02734	0.6
113.02419	2.4
139.67747	0.5
147.04544	0.8
149.02446	7.1
152.01205	0.7
163.04008	1.3
164.04813	19.9
175.00385	7.1
179.07155	2.8
190.02737	74.1
191.03564	0.8
205.05083	87.7
208.03813	1.1
209.04584	2.6
223.06136	14.6
251.05684	0.8
300.62241	0.7
455.12051	0.6
485.16739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34352	0.8
56.90867	0.8
59.01379	1.7
62.28229	0.7
64.44574	0.8
66.54588	0.8
67.43122	0.9
71.14464	0.9
72.99300	11.8
73.05238	0.9
91.08460	0.8
92.23024	1.1
96.96002	100.0
98.95579	1.6
123.04527	5.0
125.11309	0.9
128.93263	0.9
135.04503	4.6
153.46454	0.9
163.11211	1.2
170.32646	1.0
179.03514	9.6
197.04607	14.4
485.13062	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26036	0.8
54.94656	0.8
59.01379	22.4
62.38603	0.7
67.57169	0.9
71.01378	28.8
73.02935	7.8
83.01383	2.2
85.02938	9.4
87.06812	0.9
89.02436	14.5
95.01387	1.4
97.02966	1.3
99.00835	2.2
101.02443	29.5
113.02453	13.3
118.42772	1.3
119.03490	7.0
125.02428	4.2
143.03491	1.9
159.02991	1.8
160.02411	1.0
161.04529	10.0
165.61705	1.0
179.05597	1.7
211.76927	1.0
213.96405	1.0
223.63069	0.9
263.11371	6.2
425.16681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02981	0.9
59.01379	21.2
64.35309	0.8
71.01006	1.9
71.01376	31.3
73.02940	12.9
83.01389	3.6
85.02942	15.9
86.66036	0.8
87.00825	1.1
89.02430	10.7
99.00865	7.3
101.02441	51.2
111.00858	1.7
113.02438	24.4
119.03477	2.1
125.02447	1.5
143.03535	1.6
147.06459	1.1
150.03827	0.9
159.02988	6.4
161.04575	16.3
164.70944	1.0
231.61063	1.1
293.16083	33.3
404.72064	1.0
425.20364	100.0
448.55676	1.1
467.48581	1.1
485.15280	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12431	0.8
59.01385	11.0
60.57796	0.9
62.75297	0.7
71.01383	11.5
72.99312	3.4
73.02943	7.6
75.00869	100.0
83.01396	1.4
84.01772	0.9
85.02947	5.8
85.18473	0.7
85.22818	0.9
87.00899	1.3
89.02444	5.7
92.23099	1.1
99.00894	4.4
99.82580	0.8
101.02448	20.5
107.55552	0.8
113.02451	9.5
119.07870	0.8
126.26601	1.0
143.03578	1.2
157.13705	0.8
159.03062	3.4
161.04538	6.1
164.04787	3.5
184.06210	1.0
190.02785	1.5
205.05043	5.1
206.05840	1.8
221.08278	3.7
223.06140	5.4
237.07692	1.2
265.07144	6.4
277.16595	14.3
325.09018	1.1
409.20856	84.3
425.22937	5.4
485.16452	6.5
485.22919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42336	0.4
55.28307	0.4
57.03453	0.7
60.07353	0.5
64.43185	0.4
67.01898	1.0
67.53699	0.4
74.41599	0.4
85.02946	0.5
87.00871	9.0
111.00878	100.0
111.08166	1.0
127.56422	0.5
135.04535	0.9
151.52237	0.5
173.00917	11.8
173.08322	0.7
175.04147	0.7
188.43791	0.5
227.06776	0.5
311.22299	1.0
317.49738	0.6
441.26480	3.0
485.24640	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23809	0.9
57.03461	2.1
57.41031	0.9
59.01369	1.2
59.34952	1.1
69.03451	5.1
71.94809	0.9
97.06563	5.7
99.87769	1.2
111.00838	1.2
123.08154	2.2
125.09714	70.1
125.10629	2.4
125.62180	1.1
151.11290	4.7
161.09711	4.1
169.08696	2.2
179.10794	11.3
187.09760	35.5
197.11836	59.0
241.10834	4.6
315.14722	1.3
384.74951	1.4
441.26440	6.6
485.23993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84318	0.6
59.01382	5.6
59.83456	0.6
71.01379	3.1
72.99289	1.0
80.96528	4.0
83.01414	0.6
89.02462	4.1
101.02429	4.8
113.02415	1.0
161.04541	0.7
179.05510	0.8
235.08087	1.1
249.18620	100.0
252.27892	0.6
253.09326	12.9
345.87564	0.7
449.25476	1.4
485.22693	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16754	0.8
58.71497	0.7
59.01376	6.6
69.26227	0.9
71.01392	3.1
89.02441	1.2
101.02425	2.0
123.08059	1.0
177.16646	1.0
235.08183	1.3
249.18597	100.0
253.09288	9.8
268.21875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19872	1.7
54.64696	1.5
59.01382	2.1
71.01359	2.4
73.02946	9.9
77.75753	1.6
83.05019	8.4
85.02933	2.9
93.03445	50.7
99.00874	4.5
109.02946	2.8
111.04508	100.0
129.09212	4.6
137.02438	11.5
143.03387	2.4
155.03499	26.8
162.23956	1.8
169.12346	2.5
173.04536	50.1
181.12437	2.1
199.13437	11.3
201.11382	3.2
201.85760	2.3
211.13431	14.1
221.17809	1.9
267.19629	2.3
293.21188	3.1
311.22159	9.5
323.85532	2.1
329.23376	86.4
467.26410	2.3
485.28076	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38423	0.3
59.01388	0.3
60.98254	0.2
62.81715	0.2
62.96412	0.4
78.95906	0.5
82.24619	0.3
93.38265	0.2
143.90364	0.3
145.07237	0.3
145.48810	0.3
158.73993	0.3
166.51686	0.3
447.79031	0.3
469.24884	0.6
470.26489	0.4
485.28336	100.0
502.24261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49075	0.3
66.85097	0.3
69.20702	0.3
103.51615	0.3
108.69061	0.4
207.59966	0.4
227.02769	0.4
229.74512	0.4
326.63208	0.4
453.26459	2.4
453.48807	0.4
485.28348	100.0
486.09717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27694	0.3
59.01382	10.9
62.96430	0.4
65.68349	0.3
78.95895	0.4
94.76184	0.3
126.36002	0.5
164.28235	0.4
373.95935	0.5
379.51846	0.4
425.37473	0.6
446.64951	0.4
469.25247	0.5
485.28320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98831	0.4
62.96419	0.3
65.21748	0.3
71.24406	0.3
78.95896	0.4
82.79533	0.3
84.46709	0.3
136.16202	0.3
159.82104	0.3
161.64317	0.3
183.83701	0.3
280.23593	0.4
469.25220	0.5
485.28336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02367	0.3
60.18813	0.5
61.01975	0.4
61.98834	100.0
77.41900	0.5
116.05106	0.5
162.48405	0.5
293.18704	0.6
327.10196	0.6
376.88193	0.5
485.28433	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54005	1.9
60.03166	1.6
73.04068	12.5
78.57064	1.9
78.95912	10.6
87.23661	2.0
89.23402	1.8
101.02480	2.4
101.03561	42.7
130.08737	68.3
140.07190	3.0
145.06126	2.2
152.99579	16.3
153.99876	2.9
155.00040	3.9
183.97556	2.3
186.12550	2.4
196.10901	12.9
199.18193	22.2
221.16586	2.7
243.17131	10.9
296.44287	2.1
312.26678	39.2
356.25812	3.1
369.28687	2.8
404.79034	2.3
441.27261	100.0
441.95239	2.3
470.15164	3.8
485.18124	20.6
485.24039	13.8
485.30020	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
63.76964	0.3
64.20106	0.4
71.12772	0.4
73.02918	0.7
79.25944	0.4
83.01388	40.9
83.53458	0.4
87.04515	1.0
95.01398	0.5
95.31900	0.4
97.50147	0.4
113.02460	0.6
131.03488	4.2
133.34738	0.5
142.28061	0.4
160.07945	0.4
171.40204	0.4
255.23322	100.0
410.15720	0.4
485.31027	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
62.84657	0.3
67.87383	0.3
71.09364	0.3
75.62794	0.3
84.08606	0.3
134.03610	0.4
149.05836	0.3
152.99457	0.6
198.46036	0.3
255.23186	0.8
256.23624	0.6
257.23694	1.4
264.11304	0.3
277.14325	1.3
437.30530	3.2
455.31717	77.4
485.32813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Acerinol
Peak:m/z	Relative Intensity
50.35514	0.2
60.35321	0.3
63.85556	0.3
67.40565	0.3
67.90106	0.3
70.57846	0.2
111.00838	0.4
135.04427	0.4
153.38338	0.3
171.82503	0.3
173.08258	0.4
376.33530	0.4
413.27060	0.6
441.26617	3.0
449.92728	0.3
485.32755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66694	0.8
55.61514	0.7
57.03445	1.2
63.64711	0.8
72.92603	0.8
73.40874	0.9
74.38210	0.8
83.05033	7.9
86.68735	0.8
94.42393	0.9
96.87093	0.9
96.90281	0.8
100.89732	0.9
109.06615	1.4
111.08156	100.0
132.52946	1.0
162.06372	1.1
173.08192	34.3
219.42696	1.1
229.10797	10.1
247.11946	8.5
255.23331	75.2
485.27975	2.2
485.34961	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46509	1.5
60.25727	1.3
75.00864	3.4
100.21086	1.3
100.93372	2.5
115.92065	8.2
126.13047	1.4
170.56532	1.6
185.11842	100.0
185.13498	3.3
215.42726	1.6
229.10829	2.1
239.35306	1.7
247.12141	2.1
255.23323	78.7
269.24930	3.5
485.34915	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23572	1.1
57.03457	1.4
57.36543	1.0
78.04899	1.0
83.05013	7.4
101.68217	1.1
111.08154	100.0
143.08043	1.2
147.03076	1.3
168.02946	1.2
173.08197	44.8
229.10857	10.1
247.11806	9.5
255.23306	75.2
417.99429	1.4
439.50491	1.9
446.38135	1.3
485.34897	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32552	0.3
53.65776	0.3
59.01392	0.5
61.98834	100.0
69.36871	0.4
71.01388	0.6
75.00881	0.4
79.83287	0.5
93.82994	0.4
108.04554	0.5
109.02875	0.5
113.02457	2.1
115.04034	0.4
145.02950	0.7
164.04800	0.6
190.02908	0.6
205.05070	1.1
206.05513	1.1
223.06139	0.7
223.84486	0.5
224.06596	0.8
224.50270	0.5
261.34860	0.5
265.07291	1.7
266.07547	0.7
267.27789	0.5
269.45630	0.5
352.17789	0.8
423.13498	0.8
486.12692	3.3
486.17810	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44379	0.4
57.45374	0.4
85.91726	0.5
92.22545	0.8
101.62285	0.5
119.00612	0.5
123.20081	0.4
137.56325	0.5
246.07227	0.5
260.84174	0.5
276.73300	0.6
278.53391	0.5
308.05743	3.0
309.06464	100.0
324.08798	78.0
364.90817	0.5
431.72720	0.6
486.14133	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81303	0.4
57.87716	0.5
59.01371	0.7
68.09917	0.6
72.00903	12.2
73.02943	1.2
74.02460	14.5
92.22485	0.6
101.02424	7.8
118.05094	100.0
130.89890	0.5
134.46648	0.5
149.47687	0.5
160.06168	0.7
160.35959	0.6
190.02631	0.7
190.07204	12.7
205.05098	2.9
206.05846	7.0
207.03044	1.4
208.03819	0.9
221.08200	3.9
223.06128	4.1
240.85327	0.6
250.04889	3.1
265.07162	17.6
280.05969	0.8
334.17126	0.6
340.36179	0.6
367.10498	4.5
393.41898	0.6
486.16318	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21212	15.0
53.48593	12.0
54.97706	13.2
56.76809	13.9
59.01377	23.5
59.30492	14.8
65.62971	12.8
86.29231	16.5
91.52229	15.3
96.95999	21.2
166.83792	15.4
168.04305	68.3
183.06677	28.6
197.95775	15.7
207.54716	16.5
280.85281	17.8
294.07700	33.9
295.07794	29.5
296.08310	84.4
302.57745	14.6
322.07147	68.1
323.07498	32.2
324.07822	100.0
486.12634	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59736	0.4
58.55494	0.4
58.64762	0.4
59.01379	0.5
61.98830	100.0
68.92641	0.4
103.01869	0.5
125.59479	0.5
151.29037	0.5
154.59370	0.5
162.08447	0.5
188.10878	0.5
197.22812	0.4
220.20769	0.5
432.80240	0.5
486.20496	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07857	0.9
59.01380	1.7
61.98832	100.0
71.01363	1.1
76.95813	1.2
79.10815	1.2
85.02954	1.2
92.22502	1.7
99.75724	1.2
101.02450	4.6
113.02468	1.8
141.55096	1.1
145.80991	1.3
157.17749	1.1
161.04579	1.2
248.13539	1.1
249.16144	1.1
287.32648	1.3
316.18509	1.4
390.47980	1.2
402.38406	1.1
448.22510	8.7
486.20190	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02841	0.5
50.53668	0.6
55.02600	0.5
55.81262	0.5
74.05697	0.5
88.04039	48.1
92.22549	0.6
94.01130	0.6
108.02563	0.6
163.11086	0.8
180.26749	0.6
187.11305	0.7
219.21658	0.8
309.22202	0.8
328.74066	0.6
337.21790	100.0
371.44894	0.7
382.28073	0.8
459.10739	0.7
486.26849	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
61.59266	0.5
61.98825	3.8
71.01369	3.8
72.05710	0.6
72.20221	0.6
73.02938	1.1
81.82170	0.7
85.02957	1.3
89.02432	3.1
101.02424	3.5
104.97820	0.8
113.02460	1.4
130.08734	100.0
141.15416	0.6
161.02460	2.8
187.18755	0.7
269.03989	0.7
306.20905	0.9
423.16656	2.5
479.94760	0.7
486.27200	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83551	1.9
55.90910	1.6
61.98827	2.3
71.39655	2.1
77.64723	1.7
80.42294	1.6
85.02927	12.2
97.51926	1.9
124.04070	2.3
128.07155	8.7
140.03516	1.8
152.07167	4.3
153.87448	1.9
172.06140	29.3
176.92934	1.9
186.42531	2.0
210.23732	2.1
303.44666	2.0
313.21954	14.6
313.24820	2.0
318.26392	2.2
323.92673	2.2
382.23889	4.5
424.28442	24.2
468.27637	15.3
486.28635	100.0
488.20877	2.4
508.17639	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
60.13475	0.8
87.00871	58.7
94.06618	1.5
94.18317	0.9
95.05032	2.1
96.04551	1.5
97.02924	0.9
112.04046	7.1
113.06118	1.0
138.05614	4.8
156.06650	3.7
158.04619	6.7
283.24426	2.1
285.22159	1.6
301.25430	13.8
356.25870	2.0
380.29498	1.8
381.28134	1.7
382.23950	14.7
398.26889	1.5
403.69696	1.0
424.28641	5.8
440.28357	1.0
442.29816	4.2
468.27591	6.4
486.28674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03837	0.7
56.89377	0.9
64.97048	1.0
71.26032	0.7
77.78530	0.8
79.95737	1.8
82.68534	0.8
95.95237	1.2
96.95368	1.8
96.96001	55.1
100.80505	0.9
146.08241	31.2
181.01793	13.6
217.11951	19.2
243.13545	1.4
251.33937	0.9
252.05466	4.5
291.72372	1.0
297.07736	1.4
309.11276	34.7
323.09195	8.5
487.10696	100.0
510.95190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01837	0.3
54.18035	0.3
64.97017	1.1
65.48840	0.4
71.05001	0.7
79.95739	1.0
95.95244	0.6
96.59777	0.4
96.96004	49.5
109.92512	0.4
123.04501	0.5
146.07063	1.0
146.08226	25.7
181.01765	15.4
183.94200	0.5
217.11931	15.2
226.03929	0.5
232.02969	0.4
243.13565	1.7
245.15048	2.7
252.05452	2.8
297.07626	3.6
309.11292	32.6
323.09195	8.6
434.35236	0.5
487.10638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48847	2.1
71.01384	14.2
73.02917	3.0
87.00808	2.7
93.03464	13.0
96.00886	2.5
111.04518	9.5
115.00346	36.3
119.04984	4.6
131.67477	2.3
133.01428	69.4
135.04529	36.5
137.02408	3.8
151.04021	4.9
155.03510	4.1
161.02397	3.8
163.04008	11.8
168.00647	2.9
173.04533	29.3
177.83443	2.4
179.03499	68.2
181.97403	2.9
191.05623	100.0
203.67476	2.4
206.21451	2.7
212.61206	2.9
219.92943	2.5
235.06152	4.8
254.23241	2.4
281.06213	2.5
313.08868	2.4
325.09384	3.3
343.21481	2.5
350.08005	2.7
353.04562	4.2
353.08841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07929	0.7
71.01373	8.4
72.99306	1.1
75.67289	0.8
85.02929	0.7
87.00864	0.9
89.02435	0.9
95.85405	0.8
102.00758	0.8
108.67076	0.8
113.73956	0.8
115.00363	39.2
115.01193	1.4
119.04998	3.5
131.65999	0.8
133.01428	100.0
163.03984	3.6
191.05608	7.8
306.33963	0.9
353.08459	1.0
487.14279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87949	0.4
59.01392	3.8
62.17480	0.4
66.97064	0.4
68.42007	0.5
70.95392	0.4
71.01375	7.4
72.99285	0.7
73.08892	0.5
80.94791	0.5
82.63223	0.5
87.00874	1.2
89.02422	6.4
93.03461	0.7
101.02440	2.3
105.66518	0.7
113.02435	2.9
115.00364	21.2
117.03471	6.8
119.03479	2.0
119.05015	12.1
127.03979	0.6
133.01431	57.3
137.73022	0.5
143.04977	0.9
145.02956	100.0
161.02422	2.1
163.04024	13.9
165.05515	0.8
171.04572	0.6
173.06084	2.5
179.03505	0.6
191.05638	4.1
191.07082	1.3
217.05054	3.3
235.06134	0.7
243.66655	0.6
307.08255	11.1
353.08917	0.7
487.14651	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01478	0.6
63.90119	0.7
66.03658	0.6
67.12093	0.6
71.01380	8.0
72.99305	1.5
87.00308	0.8
87.00832	0.8
89.02452	1.7
105.79742	0.6
106.85786	0.6
111.11929	0.7
115.00367	32.9
133.01430	100.0
135.04506	3.2
150.03261	0.7
163.04027	3.1
170.60886	0.8
173.04549	8.4
179.03534	5.8
191.05594	5.0
193.05109	0.8
198.38805	0.8
312.89163	0.7
353.08774	7.8
487.14993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07761	0.4
62.43591	0.5
71.01360	0.6
74.24950	0.5
74.33829	0.5
78.95899	80.4
94.18538	0.5
96.95973	0.7
96.96950	3.2
107.94788	0.6
110.98518	100.0
127.79762	0.5
129.73883	0.5
131.04601	0.9
162.89339	0.6
171.00565	0.8
186.31648	0.7
191.05644	2.5
195.38164	0.6
272.87430	0.6
413.43771	0.6
487.11880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.5
61.98829	3.0
68.30130	1.3
71.01376	11.8
85.02933	1.8
86.25310	1.3
89.02438	2.8
101.02438	2.8
102.75445	1.3
113.02443	3.1
115.00364	1.8
115.04000	2.9
117.03438	3.5
119.05005	8.5
133.01321	1.4
135.04533	37.5
145.02956	41.0
161.02451	83.1
163.04025	5.8
173.34256	1.7
177.05595	15.3
179.01917	3.3
179.03508	100.0
181.78076	1.4
184.34773	1.3
203.03426	2.2
221.02629	1.9
221.04601	36.1
251.05544	17.6
281.06735	27.7
282.08820	2.2
285.10013	1.4
300.32031	1.4
323.07932	26.0
341.08719	36.4
353.10217	4.1
371.11600	2.6
445.77341	1.7
487.12521	80.0
487.20151	2.8
487.26575	3.8
504.12256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1252
Annotation	Trifolirhizin 6'-monoacetate
Peak:m/z	Relative Intensity
59.01379	2.5
64.33632	1.0
100.44334	1.1
101.82899	1.3
114.80229	1.2
145.31987	1.2
168.39575	1.2
174.42709	1.3
225.05577	33.6
227.07144	6.7
253.05067	63.0
254.05791	12.7
282.05356	49.7
283.06113	100.0
392.97656	1.5
419.49969	1.6
487.12485	86.1
487.19547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.5
61.98829	3.0
68.30130	1.3
71.01376	11.8
85.02933	1.8
86.25310	1.3
89.02438	2.8
101.02438	2.8
102.75445	1.3
113.02443	3.1
115.00364	1.8
115.04000	2.9
117.03438	3.5
119.05005	8.5
133.01321	1.4
135.04533	37.5
145.02956	41.0
161.02451	83.1
163.04025	5.8
173.34256	1.7
177.05595	15.3
179.01917	3.3
179.03508	100.0
181.78076	1.4
184.34773	1.3
203.03426	2.2
221.02629	1.9
221.04601	36.1
251.05544	17.6
281.06735	27.7
282.08820	2.2
285.10013	1.4
300.32031	1.4
323.07932	26.0
341.08719	36.4
353.10217	4.1
371.11600	2.6
445.77341	1.7
487.12521	80.0
487.20151	2.8
487.26575	3.8
504.12256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	4.6
68.76646	0.3
85.02943	0.4
111.00873	100.0
150.03221	3.4
165.05557	14.1
213.07669	0.5
220.54852	0.4
379.57339	0.4
396.62360	0.4
487.14594	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61646	0.5
57.23805	0.5
59.01385	4.6
59.18931	0.5
61.98777	0.5
71.01373	3.9
85.02959	1.0
87.00886	0.9
89.02428	4.9
94.58791	0.6
96.96927	0.6
101.02424	2.6
113.02409	3.1
117.03452	6.4
118.05133	1.0
119.03481	2.6
119.04992	8.1
143.04977	1.0
145.02951	100.0
150.16975	0.6
161.06099	1.2
163.04002	15.1
171.04482	1.0
173.06046	1.4
205.05055	3.2
217.05119	2.1
265.07080	2.3
307.08231	13.0
341.10519	0.7
462.51816	0.7
487.14630	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42477	0.5
51.87606	0.5
59.01369	3.5
60.27171	0.4
71.01369	3.3
76.85137	0.4
79.76075	0.5
87.00868	0.8
89.02435	4.5
99.00852	0.7
101.02433	2.5
105.01949	1.0
113.02462	1.3
117.03462	5.9
119.03482	2.0
119.05021	13.7
131.04614	0.7
141.23483	0.6
143.04939	0.7
145.02954	100.0
163.04015	18.6
173.06059	3.4
187.03937	0.7
193.05043	0.6
217.05034	2.5
254.21257	0.5
263.11911	0.6
307.08289	12.4
341.10788	0.8
363.24106	0.6
463.66867	0.6
485.29636	0.5
487.14618	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22517	1.6
55.71508	1.6
59.01382	99.8
60.60186	1.8
71.01379	53.4
72.99306	2.4
85.02939	10.8
89.01893	2.7
89.02436	74.3
89.02959	4.0
92.41385	1.7
95.01382	3.2
96.58520	1.8
101.02439	29.8
101.60168	1.9
111.04617	1.8
111.08140	2.3
113.02427	18.0
115.03999	10.9
119.03497	22.6
119.91302	2.0
131.03534	2.7
133.02951	100.0
135.04515	3.2
136.15112	2.1
143.03529	3.2
149.04379	2.5
150.03223	3.0
155.07153	2.2
161.04575	7.4
165.05554	54.1
167.07124	4.0
174.72105	2.1
179.05605	17.8
190.02730	7.6
205.05055	9.6
223.06122	3.7
335.03729	2.3
389.18283	2.4
487.14182	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86523	0.6
58.07057	0.6
59.01368	1.7
66.36259	0.7
71.01370	1.4
77.18133	0.6
78.39011	0.8
85.20103	0.7
101.02444	3.0
113.02440	1.3
119.05012	46.1
123.13440	0.7
132.12871	0.8
145.01831	1.5
145.02954	31.5
161.06024	1.1
163.04012	100.0
191.07175	0.8
193.05075	1.0
205.05009	1.2
235.06094	2.8
275.46503	0.8
307.08252	1.0
325.09332	29.9
338.56882	0.9
355.10858	0.9
487.14603	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77633	0.6
59.01375	1.4
68.02200	0.6
70.96360	0.6
71.01385	1.0
72.99295	2.4
74.93983	0.5
75.00882	0.8
85.06190	0.6
85.50975	0.7
89.02433	1.0
101.02438	0.7
104.84100	0.8
105.29306	0.7
107.25076	0.6
111.94060	0.7
113.02433	2.8
119.05025	49.4
133.06564	0.9
135.04478	0.7
137.93097	0.6
141.24228	0.7
145.02937	17.0
161.04803	0.7
161.06007	5.0
161.08202	1.3
163.04016	100.0
173.04602	0.8
181.05077	0.7
187.04109	1.0
191.05620	1.4
197.04594	1.2
205.05121	5.7
205.06816	0.7
235.06145	1.1
265.07150	2.7
281.52481	0.8
307.08127	0.9
325.09326	34.2
487.14493	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
60.91679	0.5
64.96569	0.6
71.01385	1.5
74.17692	0.5
87.07345	0.6
92.21040	0.6
93.03460	0.8
101.02438	2.9
113.02460	2.5
119.05024	58.8
121.02965	1.0
133.06630	3.4
145.02975	11.4
161.06081	26.2
163.04019	100.0
187.03970	1.5
191.07193	1.0
196.03923	0.7
205.05081	25.6
235.06111	8.6
265.07190	8.4
325.09332	9.5
337.12836	0.7
367.10260	5.1
427.12692	2.7
487.14847	25.2
510.58603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22517	1.6
55.71508	1.6
59.01382	99.8
60.60186	1.8
71.01379	53.4
72.99306	2.4
85.02939	10.8
89.01893	2.7
89.02436	74.3
89.02959	4.0
92.41385	1.7
95.01382	3.2
96.58520	1.8
101.02439	29.8
101.60168	1.9
111.04617	1.8
111.08140	2.3
113.02427	18.0
115.03999	10.9
119.03497	22.6
119.91302	2.0
131.03534	2.7
133.02951	100.0
135.04515	3.2
136.15112	2.1
143.03529	3.2
149.04379	2.5
150.03223	3.0
155.07153	2.2
161.04575	7.4
165.05554	54.1
167.07124	4.0
174.72105	2.1
179.05605	17.8
190.02730	7.6
205.05055	9.6
223.06122	3.7
335.03729	2.3
389.18283	2.4
487.14182	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.5
66.13123	0.3
69.03450	0.3
71.01345	0.3
83.05037	1.6
85.02944	1.7
92.22532	0.5
93.15037	0.3
94.04143	0.3
101.12945	0.3
111.04499	0.4
113.02443	100.0
428.20218	0.3
487.25467	0.4
501.80600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
57.03468	0.1
57.25109	0.1
58.57469	0.1
59.01102	0.2
59.01383	5.1
65.20292	0.1
69.03462	0.3
71.01373	1.1
73.02962	0.2
74.93557	0.1
83.05030	1.8
84.47654	0.1
85.02931	2.0
87.00885	0.3
89.02448	0.8
94.37311	0.1
97.02977	0.1
101.02443	1.0
101.75025	0.1
111.04513	1.0
111.47464	0.1
113.02446	100.0
119.08708	0.1
135.04567	0.2
135.08107	0.1
137.09727	0.7
145.02943	0.2
155.03520	0.2
161.04552	0.2
161.09746	0.2
163.07645	0.2
179.10777	0.2
181.08722	0.5
183.10162	0.2
196.64970	0.2
307.19223	0.2
487.21359	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49080	0.4
58.18348	0.6
59.01380	5.7
60.60407	0.4
71.01378	4.6
73.02940	2.2
74.63441	0.5
78.41087	0.5
83.01388	1.1
85.02943	1.0
89.02430	2.2
92.23139	0.5
101.01856	0.6
101.02399	4.0
109.16211	0.5
113.02420	2.4
117.17079	0.5
119.03468	0.6
119.07117	0.7
135.04527	0.7
149.02420	5.8
152.01205	1.1
159.02914	0.6
163.04008	2.2
164.04794	18.6
165.05646	0.8
167.07124	0.8
169.05061	0.7
175.00357	4.6
179.07179	1.3
190.02734	68.3
205.05077	83.1
205.63829	0.6
207.03058	1.0
208.03696	1.1
209.04549	2.9
223.06122	13.5
265.07294	0.7
286.32422	0.6
356.64935	0.6
457.13770	1.2
487.18286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.5
59.88184	0.7
61.03068	0.7
61.52805	0.7
70.92262	0.9
71.01372	4.4
85.02930	0.8
89.02449	4.9
98.91063	0.9
101.02435	4.2
113.02428	1.5
119.03458	1.1
119.07140	1.2
149.02429	4.6
164.04799	17.8
175.00368	5.3
190.02731	61.2
205.05072	100.0
209.04544	2.8
221.08218	1.4
223.06172	17.6
265.07123	1.0
345.63928	0.9
472.15897	1.0
476.58469	0.9
487.18317	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56362	0.9
55.01855	0.8
55.45668	0.9
56.94827	0.9
59.01381	9.3
65.06092	1.0
71.01385	6.4
85.02977	1.3
89.02461	1.5
89.20182	1.1
101.02429	4.3
113.02451	2.4
132.86760	1.0
147.04445	1.3
149.02480	4.6
155.79550	1.5
164.04822	17.6
165.05592	1.6
175.00369	6.5
190.01013	2.3
190.02731	71.5
205.05069	85.9
209.04500	2.1
223.06146	12.0
330.71011	1.3
358.30145	1.3
381.79907	1.1
399.36133	1.3
465.52386	1.1
487.18277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91150	9.3
59.01376	52.9
62.71479	8.1
62.75628	9.6
71.01373	95.5
72.68453	8.5
73.02948	24.9
85.02933	45.3
89.02435	68.6
98.67362	9.8
99.00925	13.7
101.02402	20.2
112.21490	9.5
113.02420	20.3
117.15843	9.7
120.54745	10.1
125.02427	18.6
125.33614	10.5
131.34753	10.2
149.04553	12.5
171.10257	24.3
185.21428	10.7
291.43506	10.2
293.08752	52.0
390.84625	13.1
427.16010	100.0
487.16174	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24264	0.8
54.03290	0.7
59.01399	6.3
60.46456	0.9
65.12053	0.8
71.01382	5.3
73.02943	0.9
80.51648	0.9
85.02940	1.2
85.32207	0.8
89.02419	2.2
101.02423	5.3
103.12097	0.9
113.02447	1.9
119.07137	2.0
149.02440	6.3
163.03996	3.4
164.04802	17.5
165.79433	0.9
175.00394	5.2
175.93394	1.0
179.07184	1.6
190.02737	67.2
205.05077	92.1
208.03772	1.3
209.04568	1.3
223.06131	14.3
227.60002	0.9
468.35516	1.0
487.18292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11909	2.6
58.55970	2.6
59.01382	100.0
59.90731	3.2
65.48430	3.1
67.22371	2.7
71.01377	41.8
73.02944	14.2
74.45477	3.2
82.11095	2.6
85.02950	30.7
87.00896	7.3
89.02452	17.3
93.29920	3.4
95.01391	3.9
97.02966	6.0
98.95568	5.1
99.00868	7.1
101.02441	32.5
113.02444	49.3
120.28759	3.5
137.02541	3.5
143.03520	4.5
149.04507	3.8
159.03021	4.3
160.28767	2.9
161.04564	13.2
290.52856	3.9
313.16693	4.4
317.18564	3.6
329.16052	15.6
424.25598	3.4
427.19818	85.0
445.20898	42.9
449.22824	39.7
458.50797	3.6
487.13199	6.0
487.20959	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44279	0.9
53.67643	0.9
59.01381	100.0
61.24788	1.3
62.66738	1.0
65.62469	1.2
68.67091	1.0
71.01389	19.5
71.25862	1.1
73.02946	6.5
83.01382	2.3
85.02924	8.7
89.02426	5.2
89.95056	1.0
95.01408	1.1
99.00888	5.7
101.02441	20.9
108.02267	1.3
113.02471	10.5
147.11876	1.5
161.04579	13.8
202.35738	1.4
329.16095	61.1
389.18280	6.2
487.21381	24.3
504.79892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29836	0.6
55.95400	0.7
56.12994	0.6
57.03453	1.1
58.28443	0.7
59.01108	1.2
59.01384	29.5
64.55918	0.7
71.01379	7.5
73.02939	1.0
85.02933	1.9
87.00869	3.5
89.02432	5.7
91.77523	0.9
92.52096	0.7
101.02431	11.2
113.02443	4.9
119.03484	1.6
119.08650	1.4
121.06687	0.9
132.11876	0.8
133.10202	0.8
135.08176	1.1
137.09703	10.4
153.09186	3.2
156.55568	0.9
161.04561	1.5
161.09691	4.1
163.07657	8.3
179.10786	4.7
181.08740	7.3
223.09717	1.7
251.55070	0.8
263.11353	1.5
293.72803	0.8
487.21890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47818	0.6
53.50425	0.6
55.01883	0.9
56.51586	0.6
57.03455	1.4
59.01105	1.4
59.01386	32.9
71.01376	9.2
73.02937	5.2
83.01392	1.0
84.29549	0.7
85.02954	5.1
87.00864	3.3
87.07114	0.8
89.02455	1.5
99.00886	5.3
99.04518	1.5
101.02443	9.6
101.06078	1.0
111.04548	0.8
113.02489	5.8
119.08642	1.1
123.94279	0.8
133.10213	1.3
135.08156	3.2
135.11801	0.8
137.09735	11.8
144.88640	0.9
153.09221	1.3
161.04555	3.2
161.09744	4.9
163.07658	6.8
173.04298	0.9
174.89558	0.9
179.10725	7.1
181.08714	7.6
191.95258	0.8
223.09758	3.2
487.21915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81283	0.9
58.20332	1.1
59.01383	100.0
67.05524	1.0
71.01383	17.3
73.02949	7.0
73.49104	1.0
83.01421	1.7
85.02946	7.3
87.36172	1.0
89.02426	2.1
92.47527	1.1
92.67325	1.1
98.01615	1.2
99.00864	1.5
101.02426	14.9
102.26780	1.4
113.02451	16.9
150.21779	1.1
161.04575	16.2
166.15349	1.2
167.10832	1.5
329.16122	70.5
357.35400	1.1
423.72556	1.2
487.21411	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12099	0.9
59.01382	100.0
71.01377	14.7
83.01402	1.4
85.02953	2.1
89.02439	22.1
95.01362	1.4
101.02448	13.4
113.02465	10.8
119.03500	9.7
161.04535	7.0
172.01607	1.3
179.05649	6.0
329.16080	62.3
332.18231	1.2
487.15213	2.1
487.21921	11.1
492.11035	1.4
507.12485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72594	0.6
53.85845	0.5
58.06937	0.5
59.01382	100.0
64.86671	0.6
65.30638	0.6
71.01382	8.9
72.99274	0.8
73.02914	1.3
85.02943	0.9
87.00888	0.8
89.02436	4.2
99.00922	0.8
101.02436	3.4
113.02448	3.1
119.03529	0.9
142.14406	0.8
149.61267	1.0
152.88063	0.7
161.02594	0.9
179.03497	1.0
205.22118	0.8
242.84367	0.7
246.45787	0.7
249.57159	0.8
251.03418	0.7
259.78036	0.7
325.10794	1.0
330.29700	0.8
355.57465	0.8
427.19717	8.3
487.14926	1.7
487.21362	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2556
Annotation	MR 387B
Peak:m/z	Relative Intensity
50.96838	0.7
59.01383	49.6
59.24629	0.7
66.80818	0.7
71.01015	1.2
71.01382	17.5
73.02944	1.2
85.02937	3.6
89.02437	22.7
95.01408	1.2
99.08179	0.9
101.02438	11.3
106.43329	1.1
111.08144	6.3
113.02441	8.1
119.03505	6.6
138.22356	0.9
139.11296	0.8
151.11292	28.8
155.07132	1.6
161.04526	1.0
179.05621	2.0
180.17314	0.9
199.12488	0.8
206.26874	0.9
233.03874	0.8
309.06421	4.0
310.06863	7.2
324.09058	1.3
325.09128	8.3
329.16089	3.2
487.25568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11226	0.8
53.83981	0.8
56.20144	0.8
58.11692	0.8
59.01387	10.6
59.95132	0.8
65.91084	1.0
69.65842	1.0
73.14737	0.9
97.06561	2.0
99.00864	21.1
120.65996	1.2
123.08183	1.3
125.09721	41.3
125.42554	1.0
150.10081	0.9
169.08710	1.2
171.10309	1.4
173.76999	1.0
179.47606	1.1
181.12364	9.7
187.09755	32.4
199.13428	4.4
207.10309	16.3
225.11354	44.4
228.06339	1.1
243.12376	24.3
261.13550	3.9
317.16055	2.1
322.49130	1.2
325.23575	1.1
329.23334	1.4
443.28043	1.3
487.25558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2709
Annotation	Daturolactone 5
Peak:m/z	Relative Intensity
53.31654	0.6
67.95044	0.7
69.03062	0.8
71.01364	0.9
72.99309	0.9
73.98063	0.8
86.02431	0.7
111.08134	7.5
125.09716	0.8
125.64055	0.8
173.08115	3.5
176.92677	0.9
179.28902	0.8
215.66861	1.0
307.24564	1.1
312.64212	1.0
331.24902	4.0
341.25107	1.4
361.25479	1.1
361.99237	0.9
363.26996	6.0
371.26038	1.7
379.26544	1.3
381.27960	8.9
399.28958	1.9
423.32840	5.1
425.26999	15.5
441.33426	1.2
443.28110	12.4
451.87546	0.9
467.32156	1.5
469.33353	5.0
487.27017	100.0
487.34201	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43387	0.9
56.66972	0.9
59.01362	1.8
61.77408	1.0
73.00655	1.0
85.02950	2.4
87.00874	1.2
93.03452	11.3
97.17010	1.2
100.16163	1.3
105.08978	1.0
111.00884	7.5
125.09716	1.3
127.11236	1.4
155.10715	1.5
163.62001	1.2
165.09148	1.5
171.10277	5.2
173.04532	5.6
191.05626	100.0
201.11337	62.5
277.21768	7.8
295.22849	7.3
299.67517	1.5
313.23892	98.6
326.15680	1.3
338.34729	1.3
414.30978	1.2
487.29178	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71298	0.9
55.88991	0.8
58.64772	0.7
59.01389	3.9
60.99307	0.8
71.01389	1.2
85.02953	4.0
86.06348	0.9
93.03455	12.0
99.08156	2.1
104.46640	0.8
111.04514	4.2
127.03982	1.5
129.09200	13.4
134.03757	1.0
171.10280	1.3
173.04530	5.4
174.23953	0.9
183.13904	21.0
191.05638	100.0
195.13893	1.2
201.11343	1.0
259.99942	1.0
277.21848	1.0
295.22906	7.6
313.23883	63.7
318.26526	0.9
376.59283	1.2
433.87033	0.9
487.29633	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87604	1.5
56.15235	1.5
59.01373	2.3
61.98825	1.9
71.01378	2.2
79.90040	1.5
85.02956	2.3
93.03446	11.3
99.08157	2.1
110.46563	1.8
111.04527	7.3
119.55529	1.7
127.03963	1.5
129.09233	10.0
130.90445	1.5
173.04440	3.4
183.13914	17.8
191.05637	100.0
277.21732	2.2
277.96106	1.6
295.22760	3.0
296.96109	1.9
307.19189	3.7
313.23889	63.3
331.24951	7.0
487.24121	1.9
487.29465	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3063
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.34776	0.7
59.01376	3.1
66.41537	0.6
68.22253	0.6
71.01359	1.2
87.00855	0.9
101.02464	1.7
119.03399	0.8
164.04774	1.5
179.07147	1.0
181.05064	1.2
190.02689	3.3
191.03516	1.3
205.03299	0.8
205.05089	4.6
221.08167	1.0
223.06165	3.5
265.07120	3.5
406.93933	0.9
430.96881	0.8
452.39066	0.9
487.14923	7.6
487.30618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3069
Annotation	Nahocol C
Peak:m/z	Relative Intensity
74.85268	0.8
78.82360	0.8
79.79903	0.8
85.72731	0.8
88.00088	0.9
90.03159	1.0
105.03447	5.1
133.02954	44.6
134.03729	6.7
137.02411	4.6
148.05321	11.4
149.02411	1.5
160.01628	1.4
161.02393	1.6
161.06013	1.2
162.03148	1.4
177.01912	14.8
178.02702	5.6
192.04262	0.9
204.11565	1.8
207.06708	1.4
233.08170	4.5
247.09793	2.1
250.96176	0.8
256.85971	1.1
261.11371	1.3
275.12909	3.7
329.17621	6.4
343.19238	15.0
371.22137	1.3
387.87921	0.9
399.25571	6.3
405.69727	0.9
455.28131	1.7
472.28369	30.3
487.30682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3069
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
64.50963	1.9
95.74877	1.8
107.05014	3.7
109.06583	17.9
132.00200	2.0
152.04747	3.0
165.45665	1.7
194.30310	2.0
237.98367	1.9
289.25266	2.0
319.22742	3.2
333.24231	9.2
334.24988	3.2
353.28351	8.5
355.26627	3.5
371.29568	7.9
381.31619	37.5
395.73770	2.0
399.32733	2.8
425.30264	2.0
443.31641	18.2
487.30588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.40939	0.2
53.08092	0.2
55.73914	0.2
60.44961	0.2
70.65495	0.2
90.90584	0.2
97.55384	0.2
102.31342	0.3
126.33091	0.2
201.82187	0.2
203.03795	0.3
203.26915	0.3
250.78136	0.3
259.20038	0.2
267.56512	0.2
277.32840	0.3
472.56754	0.3
487.34344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.71486	0.4
58.42003	0.4
61.98822	0.5
67.13699	0.5
69.32040	0.5
70.95612	0.5
73.16379	0.6
80.55851	0.5
82.12500	0.5
87.04494	0.7
105.97514	0.5
122.36992	0.6
158.50645	0.6
202.10043	0.9
287.12994	0.9
355.22745	0.8
443.28226	4.4
487.23071	3.7
487.28064	3.7
487.34341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.42430	0.2
79.29301	0.3
121.48462	0.3
124.74914	0.2
138.88658	0.4
162.01659	0.3
203.31613	0.3
318.99969	0.3
333.34433	0.3
409.31131	0.7
487.34354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70811	14.9
64.93581	15.8
65.35811	16.2
73.08279	14.5
77.67373	14.8
84.20415	15.8
163.23555	17.4
202.98010	21.1
206.09494	100.0
392.42331	22.8
487.35269	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08587	0.5
60.14775	0.4
71.01353	1.6
71.94170	0.5
73.02982	0.5
85.02969	0.6
92.22533	0.6
93.03448	20.0
99.04540	1.0
101.00648	0.8
101.02469	0.6
119.05023	1.0
120.05353	0.8
137.02446	100.0
138.06517	0.5
141.50797	0.5
143.03500	1.0
144.99657	6.8
155.96484	0.5
164.04422	1.1
164.07080	0.5
173.04488	0.8
188.00238	1.0
188.69023	0.5
256.53400	0.6
299.07748	31.0
326.10464	3.2
488.15186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30729	0.5
56.03783	0.4
87.00868	1.2
90.49653	0.4
93.03450	4.9
97.28847	0.5
111.00878	1.1
111.04548	0.5
120.01254	3.1
123.38612	0.5
127.03938	0.7
134.03732	5.5
149.06099	2.4
155.03442	0.5
173.04572	4.5
191.05626	100.0
193.05064	10.9
225.06758	0.5
367.10367	34.5
380.15170	0.6
398.16165	0.9
479.84692	0.5
488.12350	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00829	0.7
55.45217	0.6
56.93565	0.6
57.33168	0.6
61.54324	0.6
71.01402	0.9
77.90276	0.6
78.09032	0.7
79.60432	0.7
83.43266	0.7
92.22474	1.4
93.03452	1.4
111.04493	1.4
117.03465	1.5
120.01231	18.0
134.02707	1.8
134.03735	52.6
149.06085	20.0
155.03496	3.6
159.48262	0.7
173.04520	12.9
188.87273	0.8
191.05640	30.5
193.05061	100.0
233.82912	0.8
296.05652	1.0
314.07104	0.8
318.06552	0.7
326.10168	2.5
333.53979	0.8
348.24634	1.0
367.10339	61.0
396.94275	0.9
435.58624	0.9
467.11832	0.8
488.12378	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32707	1.2
56.71479	1.5
59.01358	1.5
62.04270	1.6
66.28362	1.4
75.01118	1.5
84.44717	1.8
93.03439	10.4
109.08982	1.6
120.01256	2.5
130.37161	1.8
131.46021	1.9
134.03745	19.1
137.02422	2.3
139.92416	2.1
149.06082	8.2
155.03493	3.1
158.91095	1.6
173.04552	100.0
190.55440	1.6
191.05644	11.5
193.05090	23.2
197.13290	1.7
367.10406	47.9
474.33475	2.1
488.12448	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68292	0.6
53.38995	0.7
56.68835	0.7
59.29638	0.7
60.17738	0.7
70.06297	0.7
78.95901	4.0
80.16513	0.8
82.02975	0.7
93.03452	0.8
110.98524	4.5
111.04515	4.0
117.03465	4.3
120.01241	17.1
134.03737	54.6
146.04552	1.2
146.11044	0.9
149.06081	21.5
155.03497	5.1
173.04514	14.8
185.53917	0.9
191.05629	29.6
193.05055	100.0
197.04619	4.0
201.72357	0.9
359.09863	3.9
367.10358	62.9
488.12299	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38456	0.5
60.98955	0.5
64.17180	0.5
68.57072	0.5
78.29413	0.5
85.02975	0.6
87.00871	0.7
93.03446	3.9
95.78717	0.6
111.04512	1.1
117.03449	0.7
120.01259	6.7
134.03740	21.5
137.95576	0.6
148.68004	0.6
149.06070	6.0
155.03482	0.9
169.76978	0.5
173.04544	8.4
178.22649	0.5
191.05629	100.0
193.05054	32.2
240.37636	0.5
268.01968	0.6
279.22714	0.7
367.10361	42.7
395.23019	0.7
488.12369	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.32438	0.5
67.22588	0.5
114.34864	0.6
117.08675	0.7
119.04955	0.8
130.08772	4.0
163.04007	1.1
190.02681	0.6
200.69867	0.6
244.59370	0.6
309.66785	0.6
425.14688	0.9
488.18616	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.32438	0.5
67.22588	0.5
114.34864	0.6
117.08675	0.7
119.04955	0.8
130.08772	4.0
163.04007	1.1
190.02681	0.6
200.69867	0.6
244.59370	0.6
309.66785	0.6
425.14688	0.9
488.18616	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42275	1.1
71.01377	11.1
72.99302	0.9
74.08663	0.8
75.59502	0.8
87.00859	1.2
89.02446	1.7
92.23130	1.4
93.03472	1.2
115.00362	49.8
120.01235	2.0
121.44036	1.0
133.01431	100.0
134.03737	5.7
135.04524	1.9
149.06055	1.9
173.04610	2.1
191.05629	40.1
193.05106	10.6
193.63733	1.0
314.15082	1.2
357.01910	1.0
367.10504	14.9
380.28815	1.2
488.12274	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22167	0.8
59.97552	0.8
61.98822	1.0
68.10397	0.8
73.33330	0.8
80.00877	0.8
84.43986	0.8
96.96007	1.0
113.63042	0.9
208.04425	0.9
209.30443	0.9
244.06110	1.1
267.06613	6.2
294.08914	2.1
295.06140	84.1
309.07678	4.8
310.08505	86.2
311.09155	4.6
325.10840	49.1
325.14667	1.8
336.06375	7.1
351.08984	1.4
483.19473	1.0
488.17194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42691	0.4
59.01371	1.8
59.55423	0.4
61.98846	1.8
71.01382	1.1
72.00906	2.9
73.02950	4.6
85.02934	1.9
89.02455	0.8
99.52646	0.5
101.02436	17.8
112.04036	1.1
118.56873	0.5
125.10245	0.4
129.78276	0.4
131.20407	0.5
144.08180	2.0
147.04515	15.8
149.06122	1.9
164.07170	100.0
173.04533	2.1
179.05656	0.6
186.09242	4.3
191.05588	0.9
193.04909	0.6
206.08231	0.7
216.04663	0.6
236.02769	0.5
236.05489	0.6
236.09271	14.2
239.21780	0.5
248.09244	0.8
308.11386	3.2
367.10364	0.9
488.18005	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50367	0.6
102.34370	0.6
106.04225	3.9
107.05033	9.9
126.39404	0.7
161.04811	0.8
175.03979	1.0
176.07190	24.0
178.08730	1.0
220.74333	0.9
263.04266	0.8
284.12949	100.0
302.05872	0.6
370.52423	0.8
434.94409	0.7
488.19281	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83189	0.7
60.49043	0.7
60.98446	0.6
62.77987	0.6
77.56519	0.7
81.18546	0.7
82.53505	0.7
97.19660	0.7
99.90692	0.9
103.03973	1.0
133.05057	5.7
143.20374	0.7
158.75978	0.8
162.05717	0.7
209.15475	4.9
210.66129	0.8
219.17558	8.3
236.16542	1.1
237.18622	100.0
248.16631	1.5
263.16586	7.2
266.17654	5.2
281.17599	18.7
310.16602	11.9
314.87378	0.8
320.97064	0.9
324.14288	0.9
325.16547	10.4
372.16617	1.4
397.22122	1.8
426.21329	1.5
435.44553	0.9
441.21417	14.3
488.21295	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72412	1.2
55.60952	1.3
58.03497	1.2
61.98832	100.0
102.18118	1.4
128.85905	1.5
135.65540	1.5
145.03917	1.4
417.25763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61297	62.0
58.31232	83.2
59.59870	72.5
68.28072	78.7
69.18703	69.8
73.82318	75.7
84.60120	78.9
90.77504	87.6
115.48163	87.2
115.53921	74.4
115.91669	87.8
164.24672	84.2
383.76712	82.5
399.45557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30581	0.7
53.45146	0.6
57.80461	0.7
59.01380	1.4
62.51410	0.7
63.15126	0.6
70.02989	1.6
73.02950	2.0
75.00873	0.7
89.02464	0.9
95.02508	1.4
96.96003	25.8
96.96953	0.9
101.02444	16.0
113.03575	22.1
114.01974	10.0
127.76223	0.9
130.52632	0.8
131.04620	100.0
169.18848	0.8
185.05754	0.9
187.67482	0.8
191.05643	3.9
203.06783	14.3
264.41397	0.8
391.13626	36.8
489.15881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79356	0.9
54.91774	1.0
57.82176	1.0
72.99298	11.0
77.33465	1.0
79.65573	1.0
80.73054	1.1
85.02945	77.9
91.73355	1.0
92.23263	1.2
104.36145	1.0
111.00873	1.5
123.04511	1.1
129.01936	100.0
135.04472	1.1
153.08504	1.1
173.04529	2.3
174.63084	1.1
179.03499	10.5
191.05635	13.3
192.05951	6.0
197.04543	22.9
216.38136	1.4
244.33951	1.3
359.09903	25.3
368.10498	4.8
489.13846	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67997	0.3
56.13556	0.3
56.17991	0.3
59.01379	0.5
67.35722	0.3
71.01381	40.0
73.57288	0.3
77.49204	0.4
89.02447	0.7
101.02412	0.4
113.02474	4.8
114.39627	0.4
114.93398	2.1
115.00367	100.0
115.04016	2.0
134.03738	3.1
144.96973	0.4
149.06152	0.6
151.06183	0.5
160.01669	3.8
175.04005	11.1
176.04790	0.5
191.07143	1.7
193.05063	6.0
233.40291	0.4
235.06117	1.8
254.45242	0.5
489.16556	10.5
508.92355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1408
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
52.73846	0.8
56.67611	0.9
56.71717	1.0
59.01377	4.8
60.78304	0.8
65.19984	0.8
66.96433	0.9
67.02220	1.1
71.01365	4.8
72.99302	82.8
74.58855	0.9
87.00880	0.9
89.02440	1.5
101.02439	1.2
111.00885	1.3
113.02406	1.3
123.04511	30.4
135.04527	40.3
148.14490	0.9
151.03989	1.1
179.01913	1.9
179.03503	78.7
197.04565	100.0
197.98689	1.0
269.96173	1.0
309.20483	1.6
337.72995	1.3
341.08636	1.3
473.60883	1.2
489.14084	73.9
489.27036	14.9
514.81085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1411
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
53.71592	1.3
59.01387	14.9
63.26905	1.4
71.01385	10.6
84.96819	1.7
86.03172	1.7
89.02461	14.9
93.03457	20.4
101.02454	7.3
103.70074	1.7
110.89749	1.6
113.02435	8.9
119.03515	1.9
119.05050	8.9
133.02953	3.2
133.57484	1.7
143.05019	12.0
145.02942	2.1
159.04459	1.9
162.02908	1.8
162.45422	2.0
163.03996	7.6
165.05577	2.6
179.05701	3.1
184.06801	1.8
191.05566	2.9
196.05959	1.7
205.04890	2.0
211.07674	100.0
223.07716	3.5
237.09267	11.0
253.08582	1.8
254.12857	1.6
265.08771	38.4
277.14639	1.6
295.08167	2.4
309.07678	9.8
321.75894	2.1
327.08765	56.3
369.09778	8.0
399.10657	2.4
429.12262	3.6
489.14801	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86491	0.6
57.03429	0.7
59.01383	57.5
69.68242	0.7
71.01380	10.4
73.02945	1.4
73.79288	0.8
79.93812	0.6
83.01388	0.9
85.02949	4.1
87.00885	9.7
88.08364	0.6
89.02425	6.6
101.02448	9.2
113.02442	5.7
115.03970	5.2
119.03484	3.6
151.03989	1.7
161.04558	3.7
179.34821	0.7
191.05653	1.6
193.05161	1.2
217.48347	0.8
223.67517	0.7
253.08821	0.9
267.02985	1.7
279.06628	4.8
282.05304	0.9
292.07437	1.2
293.08246	0.8
294.05365	0.7
294.08936	1.4
295.09961	0.8
297.07687	17.9
309.04507	1.2
309.07700	8.6
309.20633	1.4
312.10095	14.6
321.04092	0.9
322.04730	1.5
323.05679	7.7
324.06567	9.3
324.10013	1.5
325.07324	0.9
327.12457	5.4
331.17709	16.8
336.06540	6.4
337.07220	51.8
337.20261	1.0
338.04428	2.0
338.07990	12.3
339.08774	13.2
340.09601	1.1
341.06674	17.0
341.10510	1.1
351.08710	4.1
352.05884	1.0
352.09628	15.4
353.06711	49.3
353.10400	3.1
356.04639	1.3
356.09048	30.7
368.09045	16.1
371.11411	63.1
383.11423	100.0
391.19769	8.0
401.12424	9.5
489.14124	14.2
489.21909	3.3
489.26999	10.5
502.85077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93547	1.4
59.01382	100.0
60.64634	1.3
60.69632	1.4
60.75251	1.2
61.29889	1.5
69.22155	1.4
71.01384	15.5
73.02945	3.7
82.55748	1.4
84.32712	1.4
85.02922	5.5
87.00865	6.1
89.02438	15.3
94.37010	1.5
99.00818	4.8
101.02438	15.5
113.02423	10.2
115.04005	3.1
119.03484	6.2
148.05302	2.9
151.04013	2.4
161.02415	1.9
161.04541	6.9
162.06868	1.8
176.04814	3.3
179.05635	3.5
183.10260	2.4
191.03482	5.4
191.07164	7.2
193.05042	1.8
206.05795	3.4
212.98048	2.0
220.03752	1.9
235.06013	2.6
238.04918	2.5
267.02789	2.7
279.06537	2.5
288.11935	1.5
289.21634	1.8
297.07617	12.5
298.81900	1.7
309.07770	6.8
312.10068	6.5
318.79309	2.1
323.05777	2.0
324.06421	9.2
327.12299	3.1
330.16660	2.5
331.17621	28.3
336.06433	3.1
337.07211	26.0
338.07901	3.1
339.08853	11.0
340.09763	2.0
341.06683	6.8
351.08527	2.1
352.09467	5.9
353.06650	24.9
356.09036	20.3
368.09119	14.0
371.11438	24.5
383.11310	24.4
391.19794	21.2
401.12512	47.4
489.13989	37.4
489.23474	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55511	0.8
57.03440	0.8
59.01101	2.0
59.01383	37.2
61.98814	1.2
62.05788	0.8
70.99173	0.9
71.01383	10.6
72.99304	81.4
73.02946	1.5
73.97421	1.0
78.12688	0.8
81.35915	0.8
85.02940	1.6
87.00859	1.7
89.02454	9.3
91.52259	0.9
93.03439	7.7
98.13676	1.0
101.02433	8.1
102.24474	1.0
111.04517	1.1
113.02454	4.0
119.03506	2.1
123.04517	24.3
126.71769	1.1
134.03793	1.9
135.04524	38.9
143.07123	4.3
147.04495	1.3
153.05499	1.0
161.04536	1.3
165.12805	1.1
173.04590	5.0
179.03500	73.5
197.04568	100.0
213.69980	0.9
254.02554	1.1
309.20874	4.0
331.17630	10.6
391.19882	4.6
421.30371	1.1
489.14185	76.0
489.27325	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1408
Annotation	3',4',7-Tri-O-methylisoorientin
Peak:m/z	Relative Intensity
59.01364	0.8
71.01361	2.7
74.87160	0.5
77.33590	0.5
78.95886	0.7
89.02438	0.7
90.94614	0.7
93.03434	8.1
96.96938	1.2
96.99313	3.2
101.02446	0.8
106.75233	0.6
109.02907	0.7
111.00884	0.6
115.00351	2.5
119.05013	9.7
120.05171	0.6
122.08270	0.6
131.04987	3.8
143.05022	1.3
145.06596	3.7
147.04608	1.0
159.04498	3.0
163.03999	10.0
165.05548	1.0
171.04515	3.1
177.05582	4.3
210.06825	4.8
211.07664	20.8
215.03468	1.0
219.08226	0.9
223.07622	3.0
235.07654	2.7
237.09219	52.8
238.09972	1.3
239.10762	11.2
247.07713	1.1
253.08731	3.7
264.07932	5.5
265.08731	17.3
308.06897	1.1
309.07767	1.0
489.14053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1411
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
51.31364	0.4
59.01376	1.3
71.01390	3.4
83.01398	0.7
89.02417	1.0
93.03449	7.7
96.99304	2.9
101.02448	0.6
115.00362	3.7
117.03434	0.8
119.03489	0.6
119.05024	9.3
130.04248	0.7
130.78575	0.5
131.05023	3.7
133.06584	0.8
137.26779	0.5
143.05006	2.4
145.02948	2.7
145.06587	3.0
147.04541	0.6
159.04541	4.0
163.03999	9.3
169.05173	0.5
171.04466	3.4
175.02386	0.7
176.00983	0.5
177.05560	5.1
181.02263	0.5
181.15736	0.5
184.25423	0.6
191.03531	1.2
205.05081	0.6
210.06914	7.4
211.05649	0.9
211.07655	27.1
215.03548	0.7
219.08043	0.6
223.07744	5.7
235.07700	2.4
237.09222	50.6
238.09917	2.0
239.10799	11.6
253.08748	3.7
263.06937	0.8
264.07938	6.8
265.08713	19.8
308.06866	3.8
309.07675	2.4
327.08694	2.8
373.12643	0.7
489.14090	100.0
498.56064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1412
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
57.20260	1.4
59.01374	12.4
64.31973	1.7
64.32361	1.6
71.01373	4.4
80.90735	1.7
81.84407	1.7
89.02425	8.7
93.03449	22.6
101.02406	2.7
113.02444	3.7
119.05038	52.7
125.87451	2.1
131.04953	1.8
133.06604	2.2
134.03740	2.8
137.55597	1.9
143.05055	14.8
145.02943	24.4
149.02415	2.1
159.04456	2.0
161.06062	4.2
163.04031	47.3
171.04536	4.0
177.05492	3.7
179.05453	2.4
187.03964	2.7
190.02722	9.5
193.05133	1.9
193.26520	2.4
205.05048	15.5
210.06862	20.4
211.07658	70.5
223.07732	35.6
237.09265	45.9
238.10179	2.3
239.10812	40.9
253.08588	7.5
264.07874	2.6
265.08847	42.6
283.09735	9.8
283.20383	2.0
309.07687	7.7
325.09497	9.8
327.08798	71.0
341.74127	1.9
369.09851	17.9
383.83838	2.1
399.10815	7.3
429.11896	12.3
449.36215	2.4
489.14160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95301	1.5
59.01384	17.1
64.86986	1.5
68.06189	1.7
71.01372	14.7
73.02948	2.9
85.02932	2.9
89.02427	18.3
93.03443	21.7
101.02435	9.3
101.15477	1.7
113.02464	7.2
119.03513	6.6
119.05029	24.9
119.12759	1.5
121.05066	3.4
131.05046	2.0
134.03737	3.8
143.05005	16.1
145.03018	7.2
147.04518	1.9
149.02428	4.1
160.01675	3.2
161.06114	2.2
163.03999	33.3
164.04810	18.8
175.00383	2.8
175.04001	15.5
177.05632	10.2
179.05646	2.8
179.07147	2.0
190.02731	46.4
190.04391	2.3
191.07251	3.1
193.05127	7.0
205.05074	70.3
210.06917	11.1
211.07663	100.0
223.06052	10.0
223.07863	18.1
235.05885	2.1
237.09280	11.9
239.10829	8.3
265.08865	32.4
283.09888	8.9
309.07742	6.9
327.08786	62.5
369.09772	21.7
399.11020	7.0
429.11899	18.9
449.15619	1.8
489.15948	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	21.0
59.56221	2.3
64.88560	1.8
65.89587	2.0
71.01379	85.9
72.99313	21.7
73.02947	3.6
75.00880	27.9
85.02943	2.8
87.00863	42.2
89.02442	25.8
94.99313	1.9
101.02443	13.6
113.02444	2.2
115.00382	18.6
119.03552	3.2
129.01949	34.4
131.03500	3.7
131.04613	2.2
133.01437	4.2
142.19670	2.0
147.03001	100.0
161.04550	2.5
183.45105	2.1
189.80754	2.4
191.05655	37.1
221.06868	2.7
257.90811	2.0
341.10956	37.8
354.23972	2.4
374.00912	2.7
489.14688	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59144	0.5
57.03448	1.1
59.01382	9.6
65.40869	0.5
67.25664	0.6
71.01385	8.9
72.60480	0.6
72.83714	0.6
73.02941	3.6
75.00868	36.4
78.95901	1.6
85.02940	5.7
87.00874	1.1
89.02439	16.3
96.96941	5.4
99.00863	3.8
101.02445	6.5
102.07336	0.6
105.61485	0.6
111.00861	1.1
113.02453	3.9
129.01927	14.4
131.03484	6.8
131.04587	2.9
141.01996	0.8
149.04529	4.2
159.02957	1.4
181.05086	1.4
191.05629	37.6
195.05104	1.2
198.23740	0.7
246.24799	0.7
305.08386	0.6
320.86478	0.6
391.13135	1.1
489.14667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58466	1.2
59.01379	7.8
65.31433	1.2
71.01374	2.5
81.02732	1.3
85.44611	1.3
89.02437	5.9
101.02414	1.6
101.14943	1.5
113.02432	1.3
119.03497	2.0
134.03723	28.6
138.95285	1.4
149.06039	4.8
151.06070	6.6
160.01639	32.7
161.04398	1.5
173.24933	1.2
175.03998	78.0
176.04839	2.4
178.02707	1.5
191.07169	11.2
193.05080	39.6
207.06686	2.5
211.07663	3.0
235.06125	16.6
295.08398	1.9
327.08975	2.0
344.19250	1.4
489.16162	100.0
507.55658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.7
67.90144	0.8
68.54203	0.9
70.02990	1.1
71.01402	2.1
81.95747	1.0
85.02931	1.2
89.02439	4.3
101.02428	3.8
113.03568	1.7
114.01966	4.8
115.00360	1.2
115.04001	2.2
117.03473	4.5
119.03509	0.9
131.04643	13.5
133.01422	5.0
133.05060	3.7
134.03738	75.9
149.06088	14.6
151.06232	1.1
160.01668	5.0
170.01352	0.9
175.04021	5.5
178.02666	2.3
181.38591	1.0
190.02827	1.7
193.05072	100.0
205.05009	1.5
211.81332	0.9
229.08467	1.0
249.07678	1.0
250.39011	1.0
275.98624	1.1
277.40863	1.0
295.10358	5.6
391.13736	1.4
402.13675	1.3
445.14838	1.4
462.69339	1.0
489.16522	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36946	1.2
58.10750	1.3
59.01368	2.8
70.77057	1.7
71.01369	3.1
71.55739	1.2
73.02970	1.9
73.55740	1.2
87.00903	1.7
89.02448	2.6
90.26897	1.5
101.02466	2.1
102.52068	1.2
103.38643	1.2
113.02422	1.8
121.04978	4.2
133.88725	1.4
147.04530	3.0
149.02434	7.3
164.04790	24.2
175.00249	2.0
179.07118	1.8
190.02739	57.5
205.05063	83.6
209.04642	1.5
212.99359	1.5
221.08122	1.4
223.06139	22.9
368.10788	2.6
423.21997	1.7
489.16220	100.0
493.85260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26015	0.9
59.01135	1.0
59.01365	8.5
63.70124	0.9
69.43050	1.0
71.01376	7.1
73.02939	25.9
83.00964	1.4
83.01378	10.7
84.48438	1.2
85.02946	4.6
86.46342	1.0
93.03436	1.7
101.02430	17.6
111.00884	1.2
113.02443	9.5
113.03099	1.1
119.05000	2.5
133.02971	1.5
135.02997	6.6
135.04509	2.5
161.04541	6.3
163.04068	2.3
165.05562	100.0
166.02733	10.0
175.04051	1.5
178.02719	2.5
179.07132	16.3
181.05078	22.0
189.05551	2.7
191.05754	2.4
193.05122	2.2
204.41093	1.3
207.06648	48.9
219.06615	2.6
229.07184	2.7
267.08719	1.5
296.03183	1.1
315.11127	1.5
327.10922	50.3
369.11932	27.1
399.13251	1.8
429.14197	8.7
430.48508	1.2
489.16589	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1621
Annotation	Teucardoside
Peak:m/z	Relative Intensity
53.31429	1.2
53.91889	1.3
54.92937	1.5
57.37899	1.2
59.01382	10.7
61.78027	1.4
68.13663	1.2
69.62023	1.4
71.01379	12.3
73.02939	20.9
83.01387	8.9
85.02953	2.5
87.00854	1.9
89.02444	3.2
93.03454	1.8
101.02431	20.7
101.50626	1.6
111.00871	3.1
113.02436	3.6
120.57990	1.7
121.06631	1.8
125.02374	1.9
131.03535	1.5
131.43983	1.5
149.06024	1.5
161.04607	3.1
165.05560	100.0
165.06963	3.2
179.03442	2.1
179.07114	15.2
189.05542	3.3
191.05650	2.3
207.06625	49.8
211.65939	2.0
219.06697	2.3
221.49391	1.5
267.08902	1.7
327.10919	38.8
350.34167	1.6
369.11942	21.3
429.14230	7.8
438.49368	1.9
455.16864	1.6
489.15320	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26015	0.9
59.01135	1.0
59.01365	8.5
63.70124	0.9
69.43050	1.0
71.01376	7.1
73.02939	25.9
83.00964	1.4
83.01378	10.7
84.48438	1.2
85.02946	4.6
86.46342	1.0
93.03436	1.7
101.02430	17.6
111.00884	1.2
113.02443	9.5
113.03099	1.1
119.05000	2.5
133.02971	1.5
135.02997	6.6
135.04509	2.5
161.04541	6.3
163.04068	2.3
165.05562	100.0
166.02733	10.0
175.04051	1.5
178.02719	2.5
179.07132	16.3
181.05078	22.0
189.05551	2.7
191.05754	2.4
193.05122	2.2
204.41093	1.3
207.06648	48.9
219.06615	2.6
229.07184	2.7
267.08719	1.5
296.03183	1.1
315.11127	1.5
327.10922	50.3
369.11932	27.1
399.13251	1.8
429.14197	8.7
430.48508	1.2
489.16589	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71683	0.3
59.01381	8.6
71.01368	0.7
75.74438	0.3
79.95747	0.7
88.23032	0.3
96.77514	0.4
96.96004	100.0
101.02436	0.7
105.86194	0.3
199.09303	0.3
202.04259	0.3
207.41345	0.4
331.17654	5.1
379.79736	0.4
489.22955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95615	0.9
67.23175	1.3
70.02962	11.7
71.01363	1.1
73.02940	1.9
75.90644	1.0
85.02940	5.9
96.00910	4.4
97.02939	5.3
98.02464	2.1
100.04025	1.3
101.02428	9.3
113.03558	19.0
114.01962	46.6
115.03999	16.3
124.07758	1.5
129.01970	1.9
131.04616	100.0
146.27298	1.1
147.22757	1.1
154.08798	1.5
168.06654	2.0
180.84494	1.0
190.73796	1.3
197.04607	4.7
203.06802	11.4
229.08350	12.1
237.78104	1.3
258.84985	1.2
271.95715	1.2
301.10449	5.2
321.63000	1.2
359.09592	1.6
373.12613	5.2
391.13605	22.4
423.90027	1.3
489.17377	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1744
Annotation	Compound E
Peak:m/z	Relative Intensity
59.01382	5.5
70.02989	7.8
71.01389	1.9
71.70786	0.9
73.02943	1.0
81.16805	0.8
86.02475	1.1
89.02442	1.9
92.23087	2.1
95.02505	1.3
96.00932	6.9
97.02957	2.0
98.02511	1.8
101.02442	10.1
110.47529	1.5
113.03570	20.1
114.01952	37.8
115.04012	15.0
124.07686	1.7
131.04619	100.0
136.07620	1.4
168.06644	1.5
185.05678	1.1
203.06786	14.3
229.08296	10.0
249.07678	5.8
250.92393	1.1
267.08679	1.9
301.10580	6.3
373.12494	4.8
391.13626	20.4
394.10962	1.1
489.17230	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1744
Annotation	Compound E
Peak:m/z	Relative Intensity
59.01382	5.5
70.02989	7.8
71.01389	1.9
71.70786	0.9
73.02943	1.0
81.16805	0.8
86.02475	1.1
89.02442	1.9
92.23087	2.1
95.02505	1.3
96.00932	6.9
97.02957	2.0
98.02511	1.8
101.02442	10.1
110.47529	1.5
113.03570	20.1
114.01952	37.8
115.04012	15.0
124.07686	1.7
131.04619	100.0
136.07620	1.4
168.06644	1.5
185.05678	1.1
203.06786	14.3
229.08296	10.0
249.07678	5.8
250.92393	1.1
267.08679	1.9
301.10580	6.3
373.12494	4.8
391.13626	20.4
394.10962	1.1
489.17230	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31679	0.6
52.08456	0.6
59.01382	1.3
59.68110	0.5
62.47947	0.6
70.02982	1.6
71.01382	1.0
71.02512	0.9
71.39178	0.6
72.00899	0.9
73.02931	2.9
79.43695	0.6
80.01427	0.6
88.83323	0.8
92.22501	0.7
95.02510	4.0
96.00890	0.7
96.95745	0.7
97.02908	0.8
98.02467	1.3
101.02445	17.5
111.01978	1.3
113.02380	0.9
113.03565	27.3
114.01957	19.3
115.03998	4.6
116.88646	0.6
131.04622	100.0
134.03781	1.4
153.01932	4.3
154.02666	2.7
168.04283	3.7
169.05093	1.5
173.05812	0.9
175.04033	2.8
183.54601	0.7
185.05713	0.7
193.05045	1.5
203.06723	15.7
229.08290	1.6
244.68834	0.7
391.13657	2.7
402.13849	1.6
489.17154	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67554	0.8
59.01376	7.0
70.02962	7.1
70.84862	1.0
71.01373	5.5
73.02950	1.4
80.03325	1.2
82.03004	1.4
85.02926	2.3
86.02499	1.1
88.03074	1.0
89.02436	6.0
96.00918	5.3
98.02474	2.2
101.02459	10.4
104.98465	1.1
111.01987	1.7
113.03566	21.3
114.01963	37.9
115.03989	12.2
116.88409	1.4
117.03430	1.2
131.04623	100.0
131.75502	1.3
134.03735	14.2
136.07661	1.3
139.21655	1.2
141.06679	1.2
149.06068	5.5
151.06021	1.7
160.01643	12.6
168.06699	1.3
175.04001	33.0
185.05638	1.2
191.07169	2.7
193.05067	21.7
196.09784	1.5
203.06749	11.9
209.93806	1.2
229.08302	11.2
235.06158	4.5
301.10440	6.4
373.12476	5.9
391.13699	19.2
404.99954	1.1
489.16910	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
59.88311	0.4
65.56138	0.4
70.18543	0.4
71.60316	0.4
77.90205	0.4
85.06585	2.6
87.65816	0.4
91.53143	0.5
97.02933	0.9
109.06566	0.9
111.04545	3.6
135.04512	0.5
149.06079	11.7
152.04782	0.6
153.05573	100.0
167.07156	0.7
177.05600	4.0
194.05893	0.6
195.06670	0.8
199.84700	0.5
205.05258	0.5
207.06538	0.6
219.06618	0.5
223.07356	0.5
239.10834	0.8
241.12355	4.9
267.10345	5.0
279.08871	0.8
285.11343	64.5
339.10849	6.2
356.94025	0.5
408.58035	0.6
489.17697	19.0
489.24167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24633	0.2
55.15599	0.3
63.43054	0.3
69.14663	0.3
85.02941	2.0
93.03467	0.5
96.93912	0.3
102.13699	0.3
109.81155	0.3
127.04041	0.6
161.18285	0.3
166.31926	0.3
173.04536	0.8
191.05629	100.0
202.99173	0.4
267.97974	0.4
288.21802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31353	0.3
62.25711	0.3
63.16949	0.3
64.39569	0.3
71.01369	0.4
71.19073	0.3
75.60612	0.4
80.36462	0.4
84.94342	0.4
85.02956	1.0
87.27289	0.4
92.24909	0.4
93.03437	0.5
105.19797	0.4
125.39900	0.5
127.04053	0.6
173.04614	0.8
191.05632	100.0
193.06049	0.4
262.44449	0.4
385.69986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	3.5
59.01382	79.5
68.21604	1.7
71.01388	22.8
72.99306	2.6
75.92879	1.9
83.16172	1.8
85.02947	4.1
89.02443	46.4
96.95995	26.1
98.95589	13.1
101.02435	21.7
105.16043	2.1
113.02446	17.2
114.01907	2.9
115.04080	2.7
119.03511	16.0
123.04455	2.4
131.04626	11.0
134.03711	2.6
139.03998	2.9
146.08240	22.3
150.50488	2.1
151.04004	2.9
161.04579	3.2
166.02728	12.8
179.05632	22.7
181.01839	2.2
181.05074	34.9
191.05629	42.0
192.05956	12.6
193.05058	4.2
207.10281	13.1
211.06140	2.7
217.11888	5.0
246.60135	2.1
309.11133	9.0
311.11087	10.2
323.09283	3.4
367.10522	3.5
367.17868	7.1
368.10794	11.5
385.18845	3.4
391.12997	3.9
399.16660	18.4
429.17648	57.4
448.38437	2.1
489.10437	100.0
489.17719	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32391	0.5
55.86925	0.4
56.14004	0.4
59.01382	100.0
71.01378	10.0
71.75632	0.4
73.02952	5.8
75.00889	0.5
76.16795	0.5
78.45791	0.5
81.12991	0.4
83.01395	1.8
85.02935	6.3
87.01707	0.4
89.02428	1.1
92.22485	0.5
99.00855	3.7
101.02435	12.7
113.02445	8.0
135.16713	0.5
137.02469	0.6
143.03499	0.5
157.51266	0.5
159.03043	0.7
161.04558	8.1
331.17664	52.2
387.61777	0.5
391.19864	0.9
448.60739	0.4
489.23514	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13108	0.9
55.01865	0.8
59.01386	100.0
71.01022	1.0
71.01364	7.4
73.88074	1.0
80.01418	1.0
85.02967	2.4
87.00888	1.2
101.02435	12.1
113.02455	5.6
143.14194	0.9
159.02943	1.7
161.04567	6.5
184.80521	1.1
214.22458	1.0
256.45807	1.1
276.84409	1.1
331.17642	51.4
391.19818	1.3
444.64798	1.3
489.23322	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49270	1.0
59.01382	100.0
60.00507	0.9
65.49053	1.0
71.01380	5.8
71.74136	1.1
73.02949	4.0
73.95747	1.0
85.02946	1.8
89.02435	1.3
101.02428	7.9
106.79145	1.2
113.02441	2.4
118.33250	1.0
146.73718	1.0
161.04575	4.2
174.47154	1.0
185.22705	1.1
217.60863	1.1
222.55142	1.1
254.62146	1.0
331.17654	48.0
489.23410	9.8
489.30429	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69207	1.0
58.64710	1.1
61.98831	3.0
71.27063	1.2
76.15333	1.3
85.25717	1.2
96.00897	7.2
98.02463	2.7
111.01961	1.3
113.03509	2.0
115.08758	11.2
124.07689	1.6
128.07167	11.8
134.24626	1.4
141.06674	2.7
143.30916	1.2
147.04517	11.8
149.42641	1.4
151.08736	14.7
152.07166	2.5
153.06679	1.6
162.90982	1.4
164.07175	29.2
194.09308	2.6
195.07802	12.1
219.15033	10.1
245.12929	6.8
256.08368	1.8
263.11545	1.3
263.14072	8.1
299.14142	2.0
300.19980	1.4
324.15399	1.5
343.13058	6.9
360.11893	1.6
360.15619	12.5
489.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.263
Annotation	Schizanthine E
Peak:m/z	Relative Intensity
57.44762	0.5
58.77195	0.4
63.67999	0.4
71.37471	0.4
78.95901	44.4
85.57756	0.5
94.98065	0.8
96.96947	3.9
136.87390	0.5
139.99304	0.5
147.93527	0.6
150.98018	2.0
152.99588	100.0
171.00624	2.3
286.78879	0.5
292.47723	0.5
325.48087	0.6
333.37289	0.5
335.25931	2.0
489.26291	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85949	0.7
54.29897	0.7
56.77085	0.7
59.01385	9.6
71.01374	14.1
72.49738	0.7
72.99298	8.5
73.02946	0.8
75.00864	24.9
83.01356	0.7
85.02940	5.4
87.00862	2.0
89.02430	4.4
95.01389	1.2
99.00880	9.7
111.93852	0.7
113.02425	6.4
115.00362	1.6
116.32159	0.7
119.25854	0.8
126.27181	0.7
134.41577	0.8
143.36171	0.9
184.91664	0.8
185.33392	0.7
241.13036	0.8
295.26376	0.9
313.27518	30.6
355.28491	5.1
412.61816	0.8
445.31943	6.1
471.29895	0.9
489.30737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57479	4.8
54.96261	4.8
59.28267	4.5
72.24477	5.6
72.61533	4.9
75.11469	5.1
96.77929	5.7
171.10217	7.6
183.10248	6.5
183.13911	34.1
235.17041	11.0
275.20166	31.8
283.11127	43.3
293.21262	100.0
318.86917	5.6
319.47339	5.9
332.45743	5.8
489.32260	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11159	1.0
56.82010	0.8
57.03449	1.7
69.91847	1.1
79.85762	0.9
85.02930	7.9
95.05013	5.8
107.05047	6.0
123.03769	1.1
123.04480	9.6
125.06066	4.1
127.21758	1.0
209.07788	1.0
216.81520	1.0
226.06157	1.1
283.11060	7.5
302.01981	1.3
341.28598	1.2
343.30142	13.1
351.09219	2.3
355.30093	2.0
356.27020	1.3
357.31665	18.5
361.31390	8.2
371.29367	5.7
371.33319	4.6
373.30911	1.5
373.34897	22.1
383.33206	14.4
385.30997	2.2
399.32755	10.2
401.34433	15.1
409.31522	4.0
427.32205	28.7
445.33298	100.0
489.22824	2.5
489.32538	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01752	2.2
57.09115	2.8
68.65958	2.6
71.56899	3.3
106.75895	3.2
109.37830	3.2
195.10168	3.5
195.13918	6.6
213.70866	3.1
223.13307	7.2
266.97821	3.2
275.20468	3.2
293.21231	100.0
428.08267	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93672	1.0
52.41471	1.2
53.21961	1.0
59.01380	100.0
63.67216	1.1
71.56322	1.2
97.10126	1.1
102.56200	1.1
112.62125	1.4
283.11185	1.5
306.91895	1.2
355.32129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79935	1.8
59.01098	3.5
59.01384	70.9
59.90344	1.7
65.21680	1.8
73.46291	1.9
88.95269	2.3
152.99612	3.2
155.14485	3.9
173.13252	2.2
183.13908	9.1
185.15439	5.1
195.17592	3.0
197.15559	2.4
213.14983	9.1
408.75082	2.2
427.34399	3.1
429.35901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
61.90653	0.4
61.98835	100.0
62.07675	0.4
64.25836	0.4
65.90897	0.5
66.47195	0.5
71.60768	0.5
84.98167	0.5
85.77314	0.5
91.92954	0.5
92.23094	1.0
100.57787	0.5
106.08901	0.6
110.26604	0.5
113.02443	2.9
114.02746	0.8
148.77745	0.6
156.62077	0.6
172.21870	0.5
188.10225	0.5
208.65149	0.5
226.59097	0.5
251.65823	0.6
370.09973	0.5
466.55997	0.6
490.27368	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24191	0.5
59.01395	2.3
71.01373	0.8
78.95912	2.2
79.29091	0.5
88.52367	0.5
89.02435	0.7
91.29424	0.6
109.02964	2.8
110.98507	3.2
121.02981	0.8
129.54016	0.6
131.04590	0.7
135.04498	2.8
149.02428	1.1
161.02435	1.3
166.08772	1.3
178.08791	0.8
182.05537	0.8
191.05621	8.8
192.06583	2.6
193.06129	0.7
218.08195	0.8
264.07562	0.7
270.05206	0.9
284.06879	5.3
285.07947	0.8
297.07614	2.9
300.12411	5.2
310.11023	5.0
316.05829	0.7
328.11917	100.0
367.10159	1.1
369.10800	1.0
385.14813	0.7
445.93506	0.6
479.68671	0.8
490.17371	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34362	0.8
56.95969	0.8
70.15424	0.9
71.01388	7.2
72.99294	1.6
82.49471	0.9
99.22892	0.9
99.67812	1.0
114.99734	1.2
115.00366	41.8
133.01431	100.0
133.22997	0.9
151.03992	1.5
191.05710	1.5
226.96568	1.0
228.18787	1.0
253.33134	1.0
320.35355	1.1
326.10342	1.7
328.15393	1.5
341.12692	2.1
356.15143	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44363	0.5
63.29387	0.5
63.58089	0.5
71.01368	7.3
72.99297	1.2
89.02444	1.3
91.95729	0.5
93.60473	0.5
94.92974	0.6
110.17916	0.5
115.00359	40.4
133.01424	100.0
184.95447	0.6
198.47614	0.6
204.43225	0.6
217.43941	0.6
288.72729	0.6
326.10391	1.4
341.12585	4.4
356.15125	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22092	2.0
58.04162	2.4
59.01375	3.6
65.61668	2.3
67.60436	2.1
104.54729	2.8
109.02947	3.8
137.34486	3.0
175.04048	11.0
176.04797	3.9
190.06377	16.9
217.64021	2.7
218.88246	3.0
222.05418	4.5
251.07213	6.2
267.06604	28.6
269.08200	15.8
270.11188	5.4
276.50879	2.8
279.06671	56.4
282.08960	35.2
283.09756	5.6
294.09033	81.0
297.07709	81.5
297.11307	46.6
309.11343	52.7
312.10080	100.0
327.12393	81.5
350.89496	2.7
419.82187	3.2
429.17245	5.1
460.17645	55.0
472.17648	76.2
487.86368	3.1
490.19141	38.8
490.26337	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03323	0.8
51.95890	0.8
65.18394	0.9
77.89748	1.0
83.69065	1.0
95.72894	1.1
121.02937	1.2
148.05299	4.5
162.06865	4.7
176.08417	1.9
178.05128	4.2
192.06693	1.8
207.27434	1.3
207.84251	1.3
251.07208	1.3
267.06607	7.0
276.07843	4.5
278.09409	1.6
279.06577	1.7
281.08157	2.0
282.09164	7.6
283.09692	2.4
292.11002	1.3
293.08185	5.2
296.10614	8.6
297.11261	6.0
307.06244	1.3
308.10519	5.7
311.11649	1.8
312.12509	11.4
318.07446	1.3
323.08011	1.4
336.08884	2.0
337.09647	1.4
338.10397	10.5
354.13638	1.6
414.13474	6.2
430.12952	25.3
442.13016	73.0
445.15710	9.9
457.15323	17.5
460.17715	35.0
472.17691	100.0
490.18744	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78698	0.6
56.87049	0.6
59.01385	26.1
60.01715	1.8
61.98835	100.0
71.01363	3.8
74.69500	0.7
89.02441	4.3
101.02503	2.2
113.02419	1.5
119.03516	0.9
152.24593	0.7
179.05641	0.9
331.17178	1.0
332.17847	1.7
404.95422	1.2
517.47864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.5
60.01722	0.7
61.98835	100.0
71.01371	2.5
83.05003	0.8
83.06726	0.8
84.68520	0.6
90.95308	0.6
92.22520	1.0
101.58526	0.6
132.64182	0.7
140.56285	0.6
145.05034	0.8
165.56197	0.7
170.62210	0.7
273.94501	0.6
292.09668	0.7
319.20789	0.7
332.17966	1.2
392.19937	1.1
490.23178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2584
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
50.61233	0.5
59.75928	0.6
78.95902	100.0
82.80545	0.6
90.54269	0.7
96.96973	7.9
114.68181	0.6
152.99583	29.7
153.00742	1.3
171.00641	42.8
177.40100	0.7
180.06589	0.8
182.89243	0.7
227.99702	0.7
416.22278	3.2
490.25830	96.3
506.50424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.0
64.31894	0.7
78.95904	100.0
85.02905	0.8
88.86171	0.9
96.96954	8.4
129.18483	0.8
152.99573	24.3
171.00644	40.0
204.64532	0.9
416.22256	3.1
490.25800	88.5
500.34955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2583
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
59.01357	1.2
61.98829	1.4
66.06966	1.1
71.18124	1.3
78.95906	100.0
96.96941	6.7
97.86138	1.2
146.93350	1.4
152.99579	35.0
169.88033	1.3
171.00647	45.7
171.02005	2.4
191.13873	1.6
293.21204	2.6
416.22180	1.8
484.49597	1.4
490.25851	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02643	0.6
62.88652	0.7
70.00458	0.7
71.18559	0.7
92.05053	35.9
98.29626	0.7
114.95340	0.7
124.57131	0.7
130.08705	1.0
136.04045	24.9
157.13521	0.9
205.13472	100.0
249.12477	9.8
332.23453	7.4
376.22110	1.0
490.29321	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97565	100.0
62.25181	1.9
71.40757	2.1
94.47460	1.6
94.99931	1.8
128.44872	2.1
141.07176	1.8
262.77094	1.9
324.18835	2.3
325.78870	2.1
390.58606	2.2
484.69775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60279	0.3
55.13873	0.3
58.82009	0.3
71.01382	3.4
72.01713	0.4
73.02942	0.8
75.98916	0.3
83.06182	0.3
99.92583	2.6
113.02448	0.4
115.00364	8.3
116.00701	2.0
116.92854	100.0
117.00788	0.7
117.01917	4.7
121.37708	0.4
133.77689	0.3
175.04050	0.4
269.35181	0.4
449.30826	0.5
491.16959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.099
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02123	0.6
64.54750	0.7
70.18102	0.8
76.69262	0.7
97.06925	0.7
102.62493	0.7
124.86471	0.8
349.07129	1.7
362.04297	2.8
377.06821	1.1
390.03857	12.3
392.09128	1.3
405.06165	63.7
418.03198	11.6
433.05704	17.4
446.02301	0.8
448.08084	34.4
461.05164	7.8
476.07605	3.5
491.09882	100.0
511.46484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41477	1.5
58.70056	1.7
66.92725	1.5
70.79602	1.2
75.96220	1.5
78.95908	5.9
87.29544	1.6
109.82433	1.5
152.99582	6.3
158.66617	1.5
171.00606	2.3
179.90707	1.8
181.04826	1.6
197.33311	1.6
203.75902	1.9
211.14368	1.9
216.05890	1.5
240.44026	2.1
390.03723	10.6
405.06210	63.4
418.03320	12.5
433.05789	20.2
448.08157	33.5
461.05063	11.8
476.07584	6.8
491.09912	100.0
491.25812	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63062	0.4
55.00499	0.6
55.91251	0.5
59.01383	10.7
61.92949	0.5
71.01377	2.5
71.62515	0.7
73.02943	0.8
81.03455	5.6
83.05030	3.4
89.02429	3.4
89.91759	0.7
93.03453	3.3
95.77238	0.7
101.02457	1.3
109.02933	2.7
111.00957	0.5
111.04511	48.9
113.02451	0.9
127.04005	100.0
134.03764	5.6
137.02446	7.8
148.70633	0.7
149.06078	9.1
151.04036	0.6
155.03499	63.6
168.61172	0.6
189.66643	0.7
193.05087	4.8
193.24141	0.6
199.02496	70.5
232.07387	1.0
247.09900	1.3
270.08966	0.6
281.08194	0.8
291.08832	6.6
314.11588	1.4
329.14154	1.1
335.52997	0.7
363.32883	0.6
366.64868	0.7
431.22687	0.7
491.12796	1.0
491.19199	10.6
491.24908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
59.50101	0.9
71.01377	9.7
73.02927	1.5
85.02934	4.8
89.02439	4.7
99.00887	1.2
101.02435	10.4
108.02171	12.0
109.02943	41.4
111.00842	1.6
113.02438	4.7
123.04510	53.6
132.02162	1.5
134.03746	15.8
135.04520	4.4
149.06053	4.8
151.99915	1.8
152.01151	54.4
153.01933	62.9
153.05566	81.3
160.01657	41.6
161.02437	18.7
175.03990	100.0
179.03534	1.8
193.05069	22.8
235.05936	1.1
272.44696	1.3
315.07248	17.0
315.10577	1.7
337.09354	62.0
359.20984	2.1
461.35150	1.2
491.11185	94.3
491.25281	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21090	0.6
59.01379	3.4
61.19860	0.5
63.41665	0.5
69.38081	0.7
81.03446	4.9
83.05021	5.1
84.65523	0.7
93.03455	4.1
96.26910	0.6
103.22585	0.6
109.02945	2.7
111.04514	52.0
127.04006	100.0
134.03737	6.0
137.02448	7.0
149.06067	8.7
151.03951	1.1
155.03499	66.1
168.73772	0.7
182.99260	0.6
193.05069	2.9
199.02498	72.9
232.07408	0.8
247.09698	0.9
257.44870	0.7
286.37854	0.6
291.08801	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
59.50101	0.9
71.01377	9.7
73.02927	1.5
85.02934	4.8
89.02439	4.7
99.00887	1.2
101.02435	10.4
108.02171	12.0
109.02943	41.4
111.00842	1.6
113.02438	4.7
123.04510	53.6
132.02162	1.5
134.03746	15.8
135.04520	4.4
149.06053	4.8
151.99915	1.8
152.01151	54.4
153.01933	62.9
153.05566	81.3
160.01657	41.6
161.02437	18.7
175.03990	100.0
179.03534	1.8
193.05069	22.8
235.05936	1.1
272.44696	1.3
315.07248	17.0
315.10577	1.7
337.09354	62.0
359.20984	2.1
461.35150	1.2
491.11185	94.3
491.25281	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43090	0.4
58.52269	0.4
59.01391	0.6
59.43415	0.5
63.74423	0.5
66.49636	0.4
70.76163	0.4
71.01361	0.8
72.99303	5.3
77.08762	0.4
78.95911	0.6
84.82122	0.6
85.02947	2.9
86.18727	0.5
96.96947	2.1
107.09703	0.5
123.04524	1.2
125.95119	0.5
127.04015	0.7
130.52190	0.5
135.04538	2.0
140.47758	0.5
140.84775	0.5
152.01167	2.3
167.03499	8.2
173.04608	0.5
179.03496	5.8
185.13297	0.5
191.05627	100.0
194.90329	0.5
197.04568	6.5
211.00108	1.1
369.70224	0.5
440.38852	0.5
491.14120	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53244	1.0
71.41283	1.0
78.95898	35.7
86.77747	1.0
99.92574	8.4
116.92826	5.5
134.98505	7.5
152.99600	9.3
163.89694	2.1
164.90485	8.0
178.88431	14.3
179.89230	45.0
179.90744	2.2
180.90024	15.4
181.90814	12.2
196.89513	37.3
205.90825	2.2
217.90761	11.9
234.91118	8.3
235.91859	19.7
255.23254	1.9
261.36743	1.1
301.14493	1.2
409.23761	2.7
435.12277	2.7
491.15152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46867	0.7
57.33004	0.6
59.01382	15.7
65.83641	0.6
67.40661	0.6
71.01378	8.3
73.02925	1.3
73.47303	0.7
73.50358	0.7
80.55903	0.9
85.02920	1.2
89.02446	7.1
93.03421	0.9
101.02444	8.0
111.04547	0.9
113.02446	6.0
117.03410	1.3
119.03465	3.8
126.51986	0.8
132.02179	1.5
133.02922	5.1
134.03752	9.4
135.04514	16.7
141.52647	0.8
149.06046	4.3
151.00330	0.9
155.03474	1.3
160.00354	1.6
160.01659	41.1
161.02440	47.3
161.04512	1.2
175.03999	93.9
178.02663	1.4
179.03470	1.8
191.07144	6.2
193.05063	15.4
207.06619	1.6
235.06172	6.8
278.20520	0.8
295.07748	0.9
315.10834	4.1
339.06772	0.8
409.20807	0.9
491.15619	100.0
491.23904	3.0
509.68991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1564
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
59.01384	18.8
71.01376	12.4
74.09972	1.1
75.00876	4.2
76.49997	0.9
85.02966	2.2
89.02448	11.8
95.01370	1.3
99.00866	1.5
101.02428	10.0
102.32230	1.0
108.02139	8.2
109.02933	7.5
111.04519	2.5
113.02440	6.5
119.03482	4.6
121.02928	2.5
127.04001	5.9
133.02943	4.6
134.03752	11.5
135.04527	17.6
149.06094	4.7
151.03981	1.2
152.01166	23.9
153.01976	8.2
155.03514	2.2
157.70789	1.0
160.01663	40.8
161.02441	50.1
161.04512	1.6
175.04001	100.0
179.03471	2.5
179.05611	1.5
191.07126	2.3
193.05072	14.1
199.02547	2.6
235.06114	4.8
251.46129	1.1
315.07181	3.9
315.10712	3.5
431.22885	10.4
491.16522	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1566
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
51.11759	0.9
59.01386	4.4
67.57893	0.9
71.22950	0.8
74.57590	0.7
78.95900	1.5
89.02446	1.1
107.42986	0.8
112.65958	1.2
117.03490	3.0
117.16273	0.8
134.03734	45.8
143.88007	0.9
149.06064	9.8
152.99573	4.8
157.09578	0.8
164.50684	0.8
179.03539	1.8
193.05061	100.0
218.66341	1.0
264.03958	0.9
323.84808	1.0
329.10300	43.4
491.15576	14.6
491.28510	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14540	0.6
59.01379	6.5
70.93848	0.7
71.01382	0.9
74.18524	0.7
87.00868	4.1
100.64853	0.9
101.02440	1.3
105.01894	1.0
123.62809	1.0
130.55017	0.8
137.65984	0.8
155.89410	1.0
165.01910	8.6
171.10243	3.1
215.33820	0.8
225.09261	2.0
227.07079	6.8
241.08755	0.8
269.08209	100.0
293.08286	4.9
294.33832	1.0
311.09375	1.8
329.23288	7.4
364.61807	0.8
431.07602	1.4
431.13519	37.5
491.28665	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48429	1.3
59.01377	10.1
63.68145	1.2
71.01339	1.2
73.02947	2.4
85.02944	2.8
89.02440	1.4
97.02978	1.3
101.02430	5.6
110.98631	1.3
111.00863	2.4
111.04494	3.2
113.02413	1.4
121.02947	7.4
122.03706	2.8
127.04003	7.9
130.08711	3.1
133.02945	2.3
134.03755	20.1
137.02496	2.1
147.04550	5.2
148.05305	6.5
149.02444	12.0
149.06059	11.8
150.03226	68.4
151.04022	1.7
155.03531	3.1
160.01654	7.9
164.04790	7.9
165.05566	100.0
175.03999	33.3
175.29214	1.5
176.04784	37.2
177.01932	2.6
178.02757	12.2
180.04286	8.0
191.07161	42.6
193.05081	44.1
195.06607	44.8
199.02496	5.3
207.06503	1.5
220.03819	11.4
221.49081	1.3
235.06108	59.9
262.06387	1.8
282.09003	9.2
295.08112	12.8
323.39383	1.6
325.07669	1.7
339.08658	1.8
341.10422	25.5
341.14343	2.8
368.09039	1.9
383.11401	30.8
389.12497	19.6
408.10663	1.6
431.13437	26.6
491.18631	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
59.90073	1.4
65.54372	1.4
71.01378	3.0
74.91331	1.5
79.16248	1.6
84.03780	1.6
85.02938	2.6
101.02477	1.8
111.00883	2.4
115.70548	1.6
121.02957	2.5
122.03707	2.0
128.03568	2.9
129.01913	12.0
129.05592	7.4
133.02917	2.2
134.03738	19.0
136.01755	2.2
136.98343	1.8
147.04507	3.2
148.05290	8.5
149.02492	8.2
149.06056	8.7
150.03214	58.9
160.01645	7.4
164.04810	7.4
165.05563	100.0
175.03967	23.6
176.04767	28.9
176.06149	1.9
177.01964	3.1
178.02710	9.2
180.04300	10.7
191.07152	39.7
192.04315	2.3
193.05104	35.8
195.06674	40.8
220.03822	9.5
235.06085	53.4
250.06268	2.0
282.09048	3.4
295.08542	12.4
311.09259	2.4
325.07184	2.8
341.10367	21.4
383.11441	23.4
389.12503	15.8
431.13501	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66384	1.9
59.01394	4.8
66.14931	2.3
70.21107	2.0
71.01405	3.0
72.99303	43.9
88.01035	2.1
96.12506	2.1
113.10614	2.0
123.04513	11.2
131.03519	3.4
133.01471	2.5
135.04543	12.0
149.04544	51.2
179.03484	49.1
197.04572	100.0
197.06416	3.5
224.30112	2.4
359.09863	68.1
359.57217	2.7
362.92239	2.8
491.14081	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73339	1.5
59.01384	3.5
59.14229	1.6
61.98831	4.3
62.41198	1.7
71.01389	2.0
72.60816	1.7
78.95912	12.8
86.43312	2.2
99.00868	14.9
99.92579	76.3
100.93363	30.9
115.92069	59.6
116.92840	22.4
124.96966	3.3
128.13374	2.1
152.96530	3.9
152.99579	48.1
153.09230	8.3
168.96042	3.4
171.10301	7.1
176.49577	2.2
179.07184	2.2
183.10265	10.9
195.94783	3.5
196.95500	12.3
197.08218	11.3
197.96315	2.5
199.13388	9.3
212.79865	2.0
215.09230	20.0
235.17009	2.7
275.20157	10.9
291.19751	4.2
293.21201	8.8
365.06671	2.3
375.12497	4.2
389.10483	1.9
409.23724	13.0
473.16434	40.0
491.17526	100.0
491.23831	5.3
491.29333	8.1
491.34637	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83414	6.0
56.07256	8.2
59.01379	49.5
63.29620	6.5
71.01383	32.7
71.61016	6.7
72.99300	40.7
89.02434	53.9
89.71497	8.3
99.00880	52.5
101.02425	34.4
113.02431	19.2
114.21516	7.3
119.03516	12.6
119.04977	11.4
123.04525	10.0
135.04533	18.9
170.26381	7.6
179.03514	37.5
197.04539	62.6
254.58662	8.1
255.06616	15.0
293.12247	9.4
366.42020	9.1
392.43149	8.3
431.15613	100.0
479.64011	9.3
491.17551	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	2.7
61.71681	1.2
63.60631	1.1
65.94638	1.5
66.17607	1.4
66.93166	1.3
68.01406	5.5
74.21875	1.4
76.62387	1.2
85.04080	3.1
87.00880	5.1
99.92578	19.2
100.92729	2.9
100.93360	68.5
107.93362	1.7
108.42178	1.3
115.92072	69.1
115.94453	13.5
116.92863	19.4
125.92849	11.0
130.01521	2.5
141.95982	1.7
142.93167	3.5
169.95602	3.2
170.93892	6.4
175.73309	1.5
204.60208	1.4
285.25986	1.6
302.24973	6.9
327.24451	2.1
389.96658	1.6
402.93628	1.5
429.18591	3.4
439.04291	1.5
445.17426	1.7
447.56546	1.8
455.16519	5.4
473.17575	17.3
491.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59188	1.4
59.01384	1.9
61.29180	1.1
69.42836	1.1
71.01385	1.4
72.99242	1.1
73.02911	1.3
76.87373	1.0
82.02969	2.6
84.04546	5.0
85.02940	2.3
89.02454	1.2
101.02435	7.9
102.05606	27.9
115.04036	1.6
127.05141	29.3
128.03539	57.2
128.64902	1.3
129.01898	2.1
169.09822	7.5
170.84776	1.4
187.10864	1.6
191.05632	8.3
195.07808	9.5
212.17953	1.2
213.08813	38.7
231.09869	100.0
270.65924	1.2
303.12027	23.8
491.18820	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
53.58514	0.7
55.01879	1.1
55.02699	0.8
56.37022	1.0
59.01108	0.9
59.01384	18.0
71.01377	10.8
72.87589	0.9
73.02947	5.6
78.73948	0.9
83.01396	1.7
85.02950	7.8
87.00867	1.5
89.02405	1.4
99.00901	1.3
101.02441	10.6
102.08031	1.0
113.02408	3.8
131.04594	1.6
133.02956	8.5
134.03720	3.8
149.02435	20.7
149.06015	1.8
150.03227	10.4
164.04802	9.6
165.05559	6.9
175.04059	1.2
177.48734	1.2
191.07106	2.2
193.05089	1.8
195.06647	2.3
235.06053	1.9
314.11597	16.4
315.12350	1.4
329.13986	12.2
383.11642	1.5
431.13510	1.3
491.19308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.193
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
55.01868	0.7
56.95065	0.5
58.06320	0.5
58.49754	0.5
59.01383	12.2
71.01370	6.9
72.97526	1.3
73.02936	2.1
73.19260	0.5
76.83550	0.5
83.01360	2.0
83.57423	0.6
85.02945	3.3
87.00872	0.7
89.02428	3.8
92.22508	0.6
93.03427	0.6
94.10744	0.5
95.01400	0.7
101.02443	7.4
109.02912	0.5
110.43285	0.5
111.04507	6.8
113.02441	2.8
119.03529	0.7
121.02936	1.3
127.03165	0.8
127.04017	12.5
133.02931	0.7
134.03767	0.8
137.02481	0.7
143.74971	0.5
149.02415	2.8
149.06058	2.4
150.03226	2.2
151.17940	0.5
155.03508	9.3
164.04831	0.8
195.57144	0.6
199.02496	10.8
204.60365	0.6
218.86108	0.6
240.04282	0.7
255.06558	0.9
263.07297	1.0
268.07556	0.8
269.08218	2.6
270.08963	3.0
281.08273	14.1
282.08975	0.9
283.09760	6.6
291.08975	0.9
296.10599	2.3
299.09311	2.9
314.11636	14.7
315.12451	7.4
326.47903	0.6
329.13919	11.7
340.99316	0.7
343.11926	5.6
346.94711	0.6
357.13367	2.1
432.24838	0.6
461.14673	3.6
476.16998	9.8
491.19299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54429	1.6
59.01382	2.1
67.51024	1.7
72.99329	2.3
75.00883	7.0
75.77853	1.6
105.01936	100.0
119.97812	2.0
122.30045	1.7
175.48766	1.7
192.73096	1.8
219.70943	1.8
332.15247	2.0
400.40253	1.9
485.70984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92447	0.4
54.65593	0.5
65.42364	0.5
65.80617	0.4
72.53498	0.5
77.03814	0.5
78.95902	31.0
87.21680	0.5
96.96967	2.4
99.26585	0.7
101.06734	0.6
136.96458	4.2
150.98009	0.6
152.99591	100.0
171.00677	3.2
173.69177	0.6
255.23204	1.4
279.23352	3.6
380.27402	0.7
409.23685	29.5
433.23453	2.3
446.47891	0.7
491.24252	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92530	0.3
66.08543	0.4
77.60675	0.4
78.95898	31.9
96.96947	3.4
99.51344	0.4
102.50477	0.4
105.15751	0.4
112.14565	0.4
123.65197	0.4
136.96449	2.8
150.97978	0.8
152.99582	100.0
171.00621	1.9
181.60500	0.4
207.98959	0.4
241.21877	0.9
255.23346	2.6
279.23285	2.3
409.23645	32.0
433.23547	2.1
491.23935	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2422
Annotation	nymphaeol C
Peak:m/z	Relative Intensity
55.97237	4.2
56.71503	4.0
61.98837	73.6
62.35222	4.4
113.02457	7.3
126.05421	4.6
148.19064	5.0
275.20166	8.6
293.21313	82.2
360.83868	5.7
491.24146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76876	1.1
59.01105	1.5
59.01387	29.8
59.06337	1.2
71.01382	12.2
73.02943	5.7
78.95908	2.3
83.01371	2.0
85.02965	2.8
87.00870	3.1
89.02466	1.3
90.79434	1.2
101.02449	8.8
113.02448	3.0
114.17245	1.3
118.63890	1.3
180.73494	1.3
243.19647	35.0
343.22180	1.4
387.24075	10.2
405.25034	52.7
447.26093	100.0
449.27682	5.9
491.28873	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2505
Annotation	Lurasidone
Peak:m/z	Relative Intensity
51.88811	1.1
52.78992	1.0
57.03395	1.0
57.96589	1.0
59.01382	40.7
59.81515	1.1
60.52275	0.9
70.42518	1.2
71.01381	31.7
73.02898	8.6
78.84343	1.2
83.01374	2.0
85.02954	12.5
87.00826	2.2
89.02440	30.8
95.01340	2.5
99.00890	11.1
101.02443	38.0
113.02444	22.4
118.51123	1.4
119.03426	7.6
125.02294	1.7
132.77280	1.4
161.04424	7.4
161.05580	1.4
175.03915	1.6
197.15414	2.1
285.63116	1.3
298.07755	1.4
311.21973	5.3
353.47046	1.4
359.20929	9.3
431.22513	6.7
491.24506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23247	0.4
61.37914	0.4
61.38292	0.4
61.98834	100.0
62.39993	0.4
67.96880	0.4
78.95911	0.8
81.82642	0.5
87.31508	0.4
124.87304	0.5
152.99567	5.3
158.98471	0.5
189.91017	0.5
219.30382	0.5
287.50751	0.5
326.43497	0.5
362.42914	0.5
377.57730	0.5
410.27097	1.0
491.24289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2788
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
50.17698	19.7
59.18279	23.0
61.87384	18.7
88.90247	20.4
98.66573	24.8
106.04007	20.8
132.05098	21.2
132.31747	19.3
150.05533	26.1
152.99655	30.9
180.02261	22.3
181.52327	24.6
219.18367	24.5
264.91367	22.7
304.09912	21.5
367.62109	23.5
394.06506	22.5
399.14432	28.4
427.02228	26.6
429.19147	32.5
433.03790	29.0
491.27829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2788
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
58.92076	5.2
61.98835	5.0
62.69731	4.8
74.39708	5.5
78.82508	5.4
80.96626	6.3
82.82328	5.1
112.95588	6.4
177.15012	7.2
204.09319	7.8
227.08949	6.4
295.19278	7.3
305.31979	6.4
324.70935	7.3
369.22839	38.0
381.77054	7.2
491.28177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2868
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.11229	0.6
55.27966	0.6
57.14264	0.6
57.49406	0.6
59.01104	1.0
59.01381	23.1
62.51324	0.6
71.01377	10.8
73.02959	0.9
80.31556	0.6
83.01363	0.6
85.02941	2.8
87.00843	0.9
89.02435	14.2
99.08166	0.9
101.02435	9.8
113.02441	6.6
119.03476	3.2
157.12343	0.8
171.10229	3.2
195.68217	0.7
211.13432	7.8
229.14456	6.1
267.06863	0.7
293.21228	17.6
298.07993	0.9
311.22388	6.0
313.10428	0.9
328.12671	0.9
329.23380	16.7
346.25595	0.8
437.29684	0.9
473.17825	3.4
491.28683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66471	0.7
52.46844	0.7
53.59707	0.7
54.23186	0.7
54.39686	0.7
54.54457	0.7
56.33479	0.8
57.03413	0.9
58.24722	0.7
58.46257	0.8
59.01379	4.9
59.87365	0.7
71.01372	5.9
73.02950	1.7
84.91019	0.8
85.02914	1.0
88.98763	1.2
89.02430	4.9
101.02441	6.2
103.33447	0.8
113.02406	3.7
125.09616	1.0
127.11295	1.1
139.11290	1.8
161.10835	0.8
167.14372	1.2
171.10236	9.2
192.80089	1.0
193.12527	1.0
209.11877	1.6
211.13408	20.0
213.15012	1.0
229.14465	58.5
290.70734	1.1
293.21185	6.6
311.22391	7.1
329.23395	29.8
391.19800	4.2
431.13461	3.8
431.26672	1.2
443.13382	10.1
458.15466	1.0
461.17957	3.6
473.17877	9.5
491.28693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35786	0.7
59.32594	0.7
83.01384	1.8
85.02949	6.5
106.23856	1.0
116.73999	0.9
123.65071	0.8
135.04546	1.2
136.44112	1.0
138.35938	0.8
149.06065	1.0
154.11029	0.8
159.04544	1.1
161.06100	3.7
162.13078	0.9
167.87480	0.8
172.05328	9.6
173.06099	1.5
185.06104	3.8
186.06932	2.1
187.07555	3.4
188.08470	0.9
189.09166	1.0
198.06976	1.2
199.07585	3.4
200.08411	3.7
201.09274	8.3
202.10016	1.4
210.44179	1.0
212.08482	3.4
213.09241	4.9
214.10007	12.6
215.10739	1.3
225.09206	1.5
226.10057	3.5
239.10867	1.0
240.11575	1.3
241.12379	0.9
247.05130	1.1
253.12375	1.4
254.13156	3.4
255.13852	7.2
256.14761	3.1
257.15314	1.0
258.16281	4.4
268.14783	7.5
270.16006	1.2
271.16962	2.0
283.17072	15.8
284.03116	0.9
284.17776	1.1
295.17068	9.3
308.17651	1.3
310.19125	1.1
323.19919	1.0
324.20868	1.8
325.21490	0.9
326.22601	2.1
336.20944	1.1
337.21796	8.7
338.22916	0.9
354.18469	5.4
357.31714	1.2
363.48047	1.0
378.25806	1.5
393.28064	7.8
395.29654	3.5
406.28833	50.4
407.29495	1.0
445.31461	1.5
447.32672	6.2
466.21869	1.0
491.31747	100.0
511.87949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43228	2.4
58.66788	2.5
59.24068	2.6
64.58364	2.5
65.31888	2.3
68.62509	2.1
72.09186	2.1
77.41419	2.3
95.30738	2.4
101.73576	2.3
183.59314	2.8
213.09122	3.2
252.43494	2.8
253.12320	4.3
255.13885	6.0
295.17108	11.5
309.18488	4.8
310.19479	21.8
378.25635	13.4
411.02353	3.2
446.76816	3.0
447.32837	12.7
491.31757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53795	0.2
59.01377	3.5
66.71703	0.2
71.01376	1.6
73.02959	0.3
78.05793	0.3
86.17672	0.3
89.02439	2.6
101.02432	3.6
112.59092	0.3
113.02446	1.9
119.03493	0.6
129.85378	0.3
152.99608	0.6
161.04532	1.3
222.76894	0.3
226.45555	0.3
228.55070	0.3
235.08234	2.1
253.09308	9.7
255.23308	100.0
259.49814	0.3
349.19708	0.3
491.32111	1.1
493.98990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
61.98834	0.6
71.01379	2.7
73.28893	0.4
87.04505	0.6
89.02441	3.4
101.02452	5.4
108.02649	0.4
113.02430	2.6
113.47458	0.4
119.03484	1.8
119.31438	0.5
123.86973	0.4
126.30008	0.4
137.60754	0.4
143.03438	0.5
161.04572	1.1
186.96729	0.5
190.93175	0.4
235.08305	1.7
253.09343	12.1
255.23328	100.0
491.33179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58360	0.6
55.15120	0.7
94.98104	1.0
101.96095	0.8
133.11368	0.9
141.12813	0.9
152.99623	1.5
171.10281	30.0
195.10309	7.8
195.13875	1.6
214.69063	1.1
225.78091	0.8
273.81180	0.9
277.21738	45.8
295.22806	100.0
491.33075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3385
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
52.75175	2.8
53.18527	2.4
55.77384	3.0
57.03429	3.5
59.87966	2.5
73.02937	7.1
75.00863	24.1
80.08555	2.8
87.00857	5.8
92.23087	6.3
125.09705	6.2
139.11292	13.3
151.11301	12.9
167.10866	3.4
169.12296	12.7
213.11301	44.1
231.12386	22.9
277.21707	74.9
291.23279	6.7
294.87103	3.3
323.38617	3.3
335.22055	5.0
351.36557	3.7
433.26431	7.3
491.33905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04427	0.9
52.37803	0.9
55.48677	1.1
56.97234	0.9
59.01376	1.6
72.99303	51.1
75.39645	1.1
79.36074	1.1
82.88671	1.0
116.88286	1.1
123.04514	22.0
129.17638	1.1
135.04520	28.3
137.37064	1.1
179.01950	1.3
179.03514	47.3
197.04565	100.0
243.03337	6.2
330.06592	1.6
492.12717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1668
Annotation	Oxostephabenine
Peak:m/z	Relative Intensity
51.62652	1.3
55.43818	1.3
63.16100	1.4
68.99819	9.8
92.84946	1.5
95.24046	1.6
95.66036	1.6
117.03495	3.2
131.51607	1.6
136.85626	1.7
160.04082	7.2
161.02400	2.5
173.02423	2.5
175.04050	6.8
188.03522	35.4
190.05113	73.9
190.06520	2.7
216.03001	2.0
220.34683	1.8
227.07184	13.4
244.09840	2.4
257.11911	6.8
273.23148	1.9
290.71396	2.0
335.05719	3.6
361.05896	3.6
374.14059	2.2
375.07437	20.1
390.09775	10.7
390.14035	2.6
391.10638	2.4
400.11871	2.1
418.12973	22.5
419.06766	2.9
433.15399	6.9
434.08679	3.5
448.17743	100.0
477.14337	2.3
492.16785	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82233	0.7
59.01375	5.0
61.21997	0.6
71.01382	17.3
71.05035	0.7
78.49015	0.7
79.42094	0.7
85.02965	1.3
88.04031	3.3
89.02448	6.2
101.02439	5.4
111.00865	22.9
112.64740	0.7
113.02429	1.0
116.03571	0.9
119.03493	1.3
146.08228	59.9
154.68906	0.8
161.04546	1.2
200.09256	1.6
234.57790	0.7
240.98134	0.8
241.75006	0.9
308.13593	6.0
315.46707	0.8
320.56970	0.9
362.14481	1.1
380.15631	100.0
492.17563	5.6
492.23392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05904	0.6
52.24293	0.6
55.43302	0.5
59.01389	4.9
59.27111	0.6
61.98831	100.0
63.99247	0.7
66.94815	0.6
68.01084	0.6
68.50170	0.6
101.02438	1.0
124.12611	0.8
129.64111	0.7
143.20998	0.6
150.37120	0.7
160.01694	0.8
161.02293	1.4
162.02821	0.8
162.80695	0.7
175.03996	1.4
176.04390	1.1
314.84906	0.8
399.04605	0.7
455.21173	0.6
472.35339	0.7
492.16235	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68390	0.7
59.01386	10.8
60.01715	1.1
61.01818	0.8
61.98833	100.0
101.02437	0.9
143.66925	0.9
181.90826	0.8
314.87817	0.8
332.17972	0.9
333.18155	1.2
334.18378	3.6
412.19415	0.8
492.24683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50051	0.4
59.01402	0.5
61.98834	100.0
65.35193	0.5
66.01926	0.4
74.03535	0.4
89.89362	0.4
101.98166	0.5
151.39818	0.5
197.04584	0.6
228.16745	0.5
245.95346	0.7
282.68268	0.5
330.69904	0.5
405.12262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61689	0.6
58.42134	0.7
59.01382	11.8
60.01718	1.0
61.98833	100.0
66.66465	0.7
71.01366	4.0
74.15491	0.7
88.78279	0.9
89.02441	5.0
99.33504	0.7
101.02455	3.4
104.96822	0.7
107.64882	0.7
110.72018	0.9
113.02406	1.5
118.31573	0.8
159.22849	0.8
171.10243	0.8
171.88419	0.8
211.13239	1.3
226.87943	0.9
230.14754	1.8
246.52821	0.8
293.21536	1.0
294.21631	5.0
312.22476	2.8
314.11377	1.0
329.23318	1.5
330.23798	4.2
492.29065	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87031	0.9
78.95901	100.0
88.98740	1.0
91.43194	1.0
92.22540	1.3
94.25555	0.9
96.96955	11.0
97.34399	1.0
137.89160	1.0
138.31714	1.0
152.99577	32.0
166.65375	0.9
171.00639	49.8
418.23590	5.8
492.27374	99.8
505.84830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2742
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
53.01397	0.4
53.18157	0.5
56.66840	0.5
56.72382	0.5
61.98826	0.7
70.35401	0.4
71.75475	0.5
75.27802	0.4
78.95905	100.0
96.96954	8.9
109.77030	0.5
152.99593	30.7
171.00648	45.1
176.81416	0.6
214.04866	0.6
264.79367	0.6
302.49384	0.6
311.88916	0.5
418.23541	3.6
448.82724	0.6
481.24585	0.5
492.27451	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
55.40456	1.4
61.98830	6.2
63.80788	1.3
64.11674	1.3
66.05830	1.3
78.95908	13.8
78.96290	1.6
97.02619	1.4
98.37852	1.3
140.01202	7.1
152.99573	2.0
168.42099	1.5
171.10278	31.5
189.98633	1.6
195.13910	17.9
196.03792	8.2
197.83018	1.6
214.04951	6.7
219.54622	1.3
277.21744	53.2
282.81354	1.4
295.22781	80.9
295.26007	2.8
297.39279	1.4
307.08588	7.5
322.10907	7.0
325.45313	1.4
340.73792	1.5
492.27411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09721	1.1
58.24131	1.4
60.59313	1.5
61.04278	1.3
61.98837	2.8
67.44658	1.4
78.95902	100.0
78.96366	3.3
96.96955	9.1
114.45731	1.6
152.99586	27.9
171.00642	47.4
194.03915	1.6
320.96967	1.9
321.49506	2.1
327.21527	1.8
351.63864	1.6
418.23752	5.9
492.27374	93.3
492.36017	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
61.98822	1.6
63.27471	1.1
67.62450	1.3
69.93631	1.4
74.67350	1.3
78.95896	15.2
103.74410	1.6
140.01181	8.9
152.99620	2.3
156.58878	1.7
171.10278	39.9
196.03790	15.8
214.04849	2.4
238.40720	2.0
264.50961	1.4
276.46542	1.5
277.21744	58.3
293.75729	1.6
295.22855	40.8
299.73163	1.5
319.18137	1.4
372.69940	1.5
491.57761	1.7
492.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.274
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
58.85468	3.3
62.56770	2.8
72.49617	3.7
78.01167	3.2
78.95891	9.7
80.18291	3.6
113.03863	4.7
149.63168	4.3
152.99588	15.4
225.97800	4.3
332.82449	4.1
351.64996	4.6
440.54483	4.2
492.27277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51229	0.9
51.76337	1.0
59.01383	2.2
61.98828	5.3
69.14788	1.1
78.95908	13.5
99.99791	1.1
113.09718	4.7
120.04404	1.1
135.63956	1.2
140.01237	4.9
141.76205	1.3
152.99605	1.4
155.38625	1.1
171.00668	1.5
195.13921	41.4
214.04915	6.9
277.21744	35.5
295.22827	100.0
345.49789	1.2
492.27493	96.1
501.21045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58394	0.4
61.98840	1.1
63.81155	0.4
68.32187	0.5
72.51976	0.4
78.95915	3.9
80.16518	0.4
81.24709	0.4
94.88711	0.5
122.31317	0.5
141.08720	0.5
152.99559	4.2
154.02795	0.8
163.06108	0.5
210.05269	0.7
228.06474	1.0
246.34750	0.5
268.62881	0.6
281.24881	100.0
492.24762	1.4
492.30975	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
76.31820	0.8
78.95895	13.1
140.78143	1.1
152.99603	6.9
154.02751	2.5
210.05449	9.3
231.71223	1.0
281.24875	100.0
342.99768	1.0
492.15573	1.5
492.31067	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.5
59.67416	0.9
96.04549	34.7
97.01697	1.8
97.02341	0.9
109.06578	1.6
124.07657	1.8
126.09219	1.8
152.07172	50.4
168.06612	1.4
170.08229	21.2
196.06181	52.7
214.07222	11.1
302.63220	1.2
317.45944	1.0
487.32690	1.3
492.37030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76714	1.4
59.01382	3.7
62.10495	1.6
65.39816	1.6
68.70499	1.5
70.76673	1.4
71.01378	3.8
82.02999	2.1
96.04548	11.3
97.01669	1.8
98.06105	21.8
108.04575	1.9
110.06071	2.2
124.07693	1.6
126.09231	2.2
141.27798	1.7
141.66602	1.4
152.07158	35.5
160.25758	1.8
170.08214	12.4
196.06203	6.3
214.07245	20.9
289.09683	1.9
317.91397	1.9
366.61435	1.8
416.73065	2.0
492.29794	3.4
492.37006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22472	0.5
57.98177	0.4
59.01380	3.1
59.37102	0.5
60.14771	0.5
60.99305	0.5
61.98839	1.4
63.65093	0.5
73.47840	0.5
75.00880	2.4
77.98742	0.6
85.02921	0.6
113.14676	0.7
120.99649	100.0
124.69710	0.6
134.03709	5.6
140.91301	0.6
148.18881	0.6
149.06070	4.0
151.52837	0.6
152.99544	0.9
160.01453	0.6
175.04039	1.2
178.02739	6.6
193.05063	19.2
270.05380	0.6
333.43515	0.6
339.78754	0.6
352.95551	0.6
371.11343	14.8
383.54654	0.6
493.18698	1.1
493.26605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19155	0.6
66.94666	0.7
69.51492	0.8
71.01377	7.9
72.99297	1.4
74.30462	0.7
89.02413	1.2
95.22887	0.8
102.80981	0.7
115.00367	39.5
133.01430	100.0
197.04625	1.3
209.66417	0.7
217.28987	0.8
351.83762	0.9
433.82840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39172	0.6
51.28737	0.7
52.34716	0.6
58.33596	0.6
60.15918	0.6
71.01390	6.1
72.99303	1.0
76.95764	0.6
89.02435	1.0
90.67727	0.6
115.00371	36.6
130.54976	0.8
132.56033	0.7
133.01434	100.0
136.60623	0.7
191.30037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.126
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82959	0.6
65.31985	0.6
75.60944	0.7
78.95923	1.0
84.15332	0.6
91.55930	0.7
93.03446	23.3
119.73392	0.6
167.06125	10.5
170.08904	0.7
193.04073	6.7
232.59438	0.7
269.07114	5.2
276.82690	0.7
287.08282	100.0
329.09509	1.2
331.07297	44.2
349.98807	0.8
373.08356	3.1
445.14282	1.3
460.66608	0.8
475.18741	1.5
493.12543	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17799	0.3
78.95901	32.3
96.96042	10.2
96.96953	100.0
110.40227	0.5
119.63368	0.4
133.01443	0.6
190.44542	0.4
244.03673	0.5
395.15601	0.6
415.26233	0.5
493.13251	7.0
512.26172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57281	1.0
59.01384	47.9
71.01382	20.5
71.05021	7.4
72.99316	8.7
73.02939	2.1
73.56797	1.1
75.00869	1.9
81.03454	2.3
83.05022	9.2
85.02959	5.5
87.00863	1.7
89.02435	30.3
93.03450	10.0
96.95968	1.9
97.02940	5.9
99.00845	1.6
101.02453	14.7
105.01889	1.4
106.13540	1.0
109.02948	9.8
111.04530	26.3
113.02457	12.7
113.53211	1.2
115.04000	86.5
115.04819	2.9
119.03513	12.6
119.05004	27.9
121.02969	2.0
127.04014	20.4
137.02486	12.6
141.05571	6.0
145.02954	5.1
149.06168	1.2
155.03514	29.4
159.03027	1.7
161.04494	1.6
163.04016	8.9
169.05051	2.4
175.09711	1.5
179.05617	18.7
183.20880	1.4
185.04575	24.5
187.06114	6.5
199.02469	17.6
203.05714	2.2
217.03482	1.9
217.08754	1.3
231.05110	100.0
261.07690	18.8
271.08383	1.7
274.28937	1.3
423.70096	1.1
433.24625	23.2
455.32510	1.3
461.11020	20.1
493.13599	6.5
493.26859	2.0
501.61609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56928	1.2
59.01377	18.8
70.57059	1.2
71.01379	100.0
72.52199	1.2
72.99292	9.4
73.02928	8.1
75.80170	1.4
81.03439	7.4
83.01354	2.0
85.02931	11.8
89.02428	8.9
95.01387	1.8
99.00850	2.4
99.04509	19.5
101.02433	24.2
106.96556	1.4
110.17570	1.4
113.02445	20.1
115.00387	11.5
117.05524	1.5
118.94347	1.6
119.03420	2.7
129.05537	1.4
131.03418	1.8
133.01401	7.1
159.02881	1.7
161.04567	15.2
198.14359	1.8
279.10873	53.1
373.14838	1.6
391.72360	1.6
475.14267	2.6
484.45560	1.4
493.15503	74.2
493.22476	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44445	0.8
58.45396	0.7
59.01385	1.2
71.01373	3.4
73.02937	29.7
75.65179	0.9
81.71170	0.9
87.00876	0.8
89.02437	2.0
96.96995	0.9
99.00854	6.7
101.02421	1.6
115.00378	6.7
117.01924	100.0
125.02426	2.2
133.01440	17.6
169.01405	19.8
191.05614	7.9
197.04523	1.2
247.04610	0.9
295.10513	1.9
331.06747	13.6
341.10672	1.2
493.13733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56928	1.2
59.01377	18.8
70.57059	1.2
71.01379	100.0
72.52199	1.2
72.99292	9.4
73.02928	8.1
75.80170	1.4
81.03439	7.4
83.01354	2.0
85.02931	11.8
89.02428	8.9
95.01387	1.8
99.00850	2.4
99.04509	19.5
101.02433	24.2
106.96556	1.4
110.17570	1.4
113.02445	20.1
115.00387	11.5
117.05524	1.5
118.94347	1.6
119.03420	2.7
129.05537	1.4
131.03418	1.8
133.01401	7.1
159.02881	1.7
161.04567	15.2
198.14359	1.8
279.10873	53.1
373.14838	1.6
391.72360	1.6
475.14267	2.6
484.45560	1.4
493.15503	74.2
493.22476	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34386	4.0
53.52950	3.8
57.33998	3.5
62.05324	3.6
75.00830	4.1
78.95906	6.4
80.90900	4.7
83.56649	4.7
90.08629	4.0
90.51294	3.7
94.40704	4.1
95.50359	3.7
99.92584	23.9
100.93341	24.4
115.92101	33.3
116.92867	100.0
152.99620	27.1
184.95483	19.9
206.63420	3.7
214.96439	4.2
216.88918	4.2
277.21881	7.2
299.12790	4.6
475.17999	19.1
493.19122	80.8
493.34521	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37694	1.1
52.66793	1.1
53.96246	1.3
59.01381	73.2
69.29886	1.4
71.01377	58.9
72.99321	13.9
73.02930	9.6
75.78212	1.5
83.01373	1.6
85.02967	11.5
87.00880	2.0
88.32341	1.3
88.66458	1.7
89.02433	69.6
95.01382	1.9
97.02931	14.3
99.00862	2.0
101.02437	31.7
105.36614	1.4
113.02416	17.3
115.00323	1.5
115.03988	2.4
119.03489	10.1
121.22023	1.4
123.04418	2.1
131.03500	2.5
139.26808	1.3
149.04498	3.0
159.02937	1.8
161.04512	9.0
179.03520	10.9
179.05591	2.3
185.78200	1.5
197.04543	18.0
247.08209	19.3
263.11371	100.0
327.51831	1.8
433.20508	1.8
443.26160	1.5
448.44415	1.7
457.13541	12.5
475.03925	1.5
493.23068	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02745	0.6
57.03435	0.5
59.01386	7.0
63.07122	0.6
63.57210	0.5
64.48744	0.5
67.01891	5.0
71.01377	11.8
73.02936	8.0
83.01385	1.6
85.02949	7.2
89.02436	3.4
99.00883	3.2
101.02436	19.9
111.00870	100.0
113.02434	9.3
120.38643	0.6
120.99646	2.3
125.02383	0.7
129.01935	0.7
159.03015	1.0
161.04527	7.8
179.16423	0.7
183.47743	0.6
217.97823	0.7
249.13426	18.0
381.17679	47.6
493.19290	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
62.45802	0.4
71.01018	0.5
71.01381	1.9
71.05016	2.1
78.95899	1.2
85.02946	6.2
89.02457	0.6
96.96015	0.8
96.96951	5.2
97.02943	18.7
113.02401	0.9
115.00407	4.5
115.04002	100.0
122.69427	0.5
161.33722	0.6
183.51903	0.5
204.15233	0.5
252.66064	0.5
282.07877	0.6
310.88660	0.5
381.33215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.9
58.40445	1.4
68.01413	1.8
78.95901	5.2
82.17101	1.1
83.05030	1.1
85.04089	2.8
87.00868	6.9
88.77631	1.1
99.92596	14.2
100.93361	48.1
109.93472	1.7
115.92078	76.1
115.94454	13.5
116.92849	18.2
125.92873	11.3
130.01451	5.6
142.93176	5.2
152.99591	10.5
163.50444	1.5
169.95532	2.2
170.93950	7.4
192.09085	1.3
282.25293	5.4
304.26529	8.6
377.30710	2.2
431.20016	3.0
475.19186	6.8
493.20227	100.0
493.31137	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23672	0.6
59.01372	4.4
61.73227	0.7
62.82807	0.8
66.92107	0.9
70.02969	3.9
71.01376	5.2
71.02509	1.5
72.00901	1.6
72.99306	3.3
85.02940	0.9
87.04532	1.0
89.02402	0.8
95.02499	6.0
99.00907	1.7
101.02428	1.6
111.01999	1.7
113.02407	1.2
113.03568	37.5
114.01959	27.5
115.00360	1.7
131.03571	3.5
131.04617	100.0
131.07117	4.7
131.70938	0.9
160.17784	0.9
179.03421	1.3
197.04552	1.9
279.11005	1.2
368.00201	0.8
375.80508	1.0
457.13492	1.0
493.18900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43793	0.2
53.98385	0.2
57.62388	0.3
58.09065	0.3
59.01370	0.5
59.86960	0.3
69.03442	0.4
73.27697	0.2
73.45340	0.2
85.06589	15.1
95.02476	0.3
95.23027	0.3
105.84990	0.3
113.03584	2.2
113.06110	0.4
114.01965	1.9
129.05568	0.4
131.04614	6.2
131.07135	100.0
237.24117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12234	0.8
53.35812	0.7
54.32664	0.7
59.01379	10.2
62.54326	0.7
63.10059	0.8
67.05957	0.7
71.01380	20.4
73.02940	10.7
83.01405	1.1
85.02944	8.4
87.00858	1.4
88.23979	0.8
89.02434	5.0
97.02905	0.8
99.00871	5.7
101.02438	26.6
113.02448	14.2
114.74080	0.7
125.02390	1.0
143.03481	1.0
159.02969	4.0
161.04552	25.9
233.06648	0.9
237.32680	0.8
301.16501	1.1
302.85138	0.9
315.18188	23.1
348.66260	0.7
357.31006	0.9
433.20898	4.9
447.22415	100.0
493.23129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.6
56.59473	1.6
59.01384	17.1
64.87523	1.4
68.90137	1.5
71.01374	27.1
73.02946	10.1
83.01386	2.5
85.02937	14.0
85.34182	1.8
89.02438	11.0
99.00862	2.9
101.02443	35.4
110.72646	1.5
112.00093	1.7
113.02455	20.2
113.68606	1.6
125.02438	2.2
138.11411	1.6
139.44225	1.8
159.03026	2.6
161.04573	19.4
171.83174	1.9
212.72099	1.8
331.17700	12.8
404.96680	2.1
493.23090	100.0
500.97598	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88110	1.6
54.59930	1.5
59.01384	17.3
61.98841	1.7
71.01377	31.9
73.02937	8.8
83.01349	1.9
85.02958	14.1
89.02420	14.0
94.76643	1.7
99.00868	4.2
101.02440	24.1
101.20732	1.8
107.25063	1.9
113.02455	17.4
115.59579	1.7
119.03452	2.4
129.57355	1.9
159.03046	3.4
161.04549	14.0
315.18213	20.5
379.21603	2.1
447.22443	100.0
493.22736	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51067	1.8
59.01094	4.5
59.01380	82.6
70.59972	2.1
71.01376	59.4
71.35579	2.2
71.78625	2.1
72.99334	8.1
73.02940	12.4
83.01402	4.0
84.02090	2.2
85.02946	23.5
87.00919	3.1
89.02440	51.9
95.01373	3.8
95.70570	2.1
97.02999	2.8
99.00854	3.0
101.02435	61.1
113.02438	34.7
113.03585	4.4
115.03957	3.1
119.03484	16.0
122.89884	2.4
125.47865	2.3
131.03482	11.8
131.04497	8.3
131.07153	9.8
132.09799	2.4
137.44682	2.3
143.03479	2.5
161.04594	12.4
161.08195	15.9
179.05635	10.0
198.54710	2.8
263.11337	5.7
271.15475	10.7
314.77863	2.4
331.17688	10.8
335.13196	3.1
395.15607	9.7
433.20447	59.9
493.23108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2304
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01881	1.7
56.24284	1.0
59.01384	47.7
63.42524	1.0
68.42220	1.1
71.01382	38.1
71.01778	1.6
72.99312	1.9
73.02946	14.6
82.34595	1.1
83.01379	5.9
85.02953	18.5
87.00867	1.6
87.04473	1.1
88.70024	0.9
89.02443	27.2
95.01376	3.8
97.02937	2.1
98.64553	1.0
99.00871	6.2
101.02441	40.8
113.02438	23.9
115.04008	1.6
119.03490	11.6
125.02470	2.2
127.15414	1.2
129.01920	1.2
131.03502	6.9
141.35422	1.1
143.03484	1.8
149.04597	1.1
153.06554	1.0
157.05025	1.2
159.02950	1.6
161.04532	14.1
179.05612	5.3
221.06679	1.6
228.00047	1.1
279.10812	1.9
331.17636	18.9
377.14542	6.1
493.22980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2451
Annotation	Tricalysioside C
Peak:m/z	Relative Intensity
57.03436	4.6
59.01371	3.6
71.01365	4.9
72.99304	1.7
75.00868	31.1
77.23096	0.9
81.51383	0.9
82.15839	0.9
85.02948	32.2
87.00837	1.1
92.23037	1.4
95.01361	2.1
99.00866	1.6
109.02948	10.9
113.02451	20.7
115.00378	1.2
117.01952	1.2
126.56550	1.0
129.49236	1.0
129.81212	1.0
152.99602	1.4
281.37665	0.9
293.63687	0.9
309.32761	1.1
440.58173	0.9
493.24445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17660	0.4
59.01376	0.5
61.75663	0.4
61.98827	2.6
63.95594	0.4
67.16889	0.3
71.01377	0.4
74.14725	0.4
75.00864	2.1
89.02425	0.4
101.02470	0.5
121.02951	100.0
138.63878	0.5
160.01590	0.5
166.58923	0.4
169.26382	0.4
235.37755	0.4
389.01056	0.4
436.88611	0.4
451.79663	0.4
493.16400	1.9
493.23740	2.6
496.33096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.258
Annotation	Pristimerine
Peak:m/z	Relative Intensity
51.71053	0.9
58.10763	1.1
59.01402	1.2
78.95909	12.9
95.56485	1.1
96.96004	1.8
120.96981	2.0
122.29140	1.0
138.98045	5.1
152.99561	13.4
169.99440	1.2
195.00687	10.8
268.23615	2.8
279.23318	100.0
457.25992	2.2
475.24728	44.5
493.25714	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2582
Annotation	Pristimerine
Peak:m/z	Relative Intensity
60.85412	0.8
78.95899	6.7
81.49440	0.8
103.31589	0.8
126.53982	0.8
138.98029	3.9
151.84093	0.8
152.81062	0.9
152.99585	9.9
179.32091	0.9
195.00645	4.3
213.01755	4.3
279.23315	100.0
475.24728	24.5
493.25766	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2579
Annotation	Pristimerine
Peak:m/z	Relative Intensity
51.16097	1.7
52.98700	1.5
59.01387	8.2
68.60519	1.7
72.99751	1.8
75.79098	1.6
78.95901	11.7
89.80408	1.7
94.25249	2.3
98.10089	1.9
138.98080	2.4
152.99577	9.6
195.00713	7.6
223.65317	1.7
279.23297	100.0
286.01956	1.9
288.77069	2.1
319.90421	2.1
457.26022	2.4
475.24753	44.4
493.25742	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61926	0.9
54.25919	1.0
59.01382	65.1
71.01373	36.9
71.17435	1.2
71.86321	1.2
73.02944	6.3
81.43080	1.2
83.01384	6.1
85.02941	8.8
87.04525	2.3
89.02438	38.9
95.01361	1.5
101.02444	23.2
101.09811	1.3
103.03976	1.5
105.01932	2.0
111.37139	1.2
113.02425	17.8
119.03493	16.6
121.02907	1.2
121.17307	1.2
131.07108	2.7
134.03755	1.9
136.05261	2.5
149.02394	5.0
150.03223	21.3
151.04001	2.3
161.04541	6.9
164.04781	8.5
165.05554	26.6
178.02725	2.2
179.05580	9.0
181.05089	1.4
183.13908	5.7
193.05014	8.4
195.06650	15.0
218.85123	1.4
251.56615	1.3
269.85632	1.3
271.19168	1.9
309.74005	1.4
311.09399	5.0
323.46988	1.3
325.10965	1.3
331.42648	1.3
343.11844	15.1
346.95978	1.3
367.11838	2.8
385.12790	1.6
391.13956	29.7
415.14099	2.0
433.15057	2.9
433.24481	100.0
493.16922	1.6
493.23059	5.9
502.62558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	63.7
63.89143	0.9
71.01379	26.4
71.68618	1.0
73.02937	4.3
74.50696	0.9
85.02963	7.9
87.00842	1.8
87.04507	2.3
89.02437	30.9
95.01374	2.4
99.00874	1.0
101.02446	23.3
113.02444	20.6
119.03509	14.0
143.03444	1.6
161.04622	4.7
179.05623	5.0
303.76480	1.2
315.04843	2.4
331.08264	2.3
343.12378	1.0
378.17648	1.0
407.59491	1.4
433.24463	100.0
455.14529	1.2
459.73380	1.1
493.22855	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17086	1.2
53.27411	1.0
55.14206	1.2
55.34736	1.1
59.01384	72.1
62.00884	1.2
71.01376	32.2
73.02946	6.9
84.06995	1.3
85.02961	9.9
87.00896	1.9
89.02437	21.2
95.01402	1.6
99.00872	2.5
101.02422	22.2
101.25182	1.3
102.80815	1.5
113.02444	13.7
119.03494	2.7
143.03476	2.1
161.04553	5.8
179.05760	2.6
191.87341	1.4
252.32730	1.6
271.19214	2.9
401.95306	1.8
433.24460	100.0
434.11212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74755	0.9
59.01101	2.3
59.01381	50.2
71.01378	29.1
73.02917	2.2
74.99088	5.2
80.25993	1.2
83.01392	1.6
85.02944	10.4
85.03381	1.2
87.04503	1.9
89.02429	22.8
95.01263	1.1
99.00867	1.6
101.02435	27.7
113.02444	14.0
119.03477	10.5
136.99126	2.8
143.59142	1.2
150.51457	1.3
161.04515	7.1
196.71660	1.1
203.81058	1.3
271.19232	1.6
433.24463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29021	0.6
57.96602	0.6
59.01384	100.0
61.98812	0.8
71.01380	4.5
73.02936	1.0
79.68625	0.7
85.02924	1.2
101.02441	3.4
113.02438	1.4
132.88515	0.6
144.13339	0.7
152.99564	0.8
161.02473	2.6
343.43253	0.8
388.50198	0.8
416.43527	0.8
433.24463	16.9
449.24075	1.2
493.20941	2.3
493.26981	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
72.99309	1.1
75.00869	100.0
98.92293	0.4
101.02428	0.8
117.45859	0.5
150.84183	0.5
433.28064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29474	0.3
59.01379	0.8
67.54547	0.3
75.00854	0.4
117.01904	0.5
231.48335	0.4
233.22694	0.4
277.21747	100.0
277.96140	0.4
299.40356	0.4
329.25516	0.4
375.25696	0.4
493.28043	5.4
493.34653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01380	59.2
73.02939	2.7
73.51147	1.4
85.02943	9.7
87.00844	1.5
89.02438	69.3
95.01391	3.5
101.02444	33.5
103.01109	1.5
113.02446	21.9
114.78897	1.3
119.03497	23.9
131.03496	1.4
143.03514	5.9
161.04576	3.3
173.95653	1.3
179.05656	14.1
247.93896	1.5
266.55737	1.7
301.02539	1.5
331.22675	1.8
359.77252	1.6
493.18484	1.5
493.29788	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2947
Annotation	Kleinioxanthrone 3
Peak:m/z	Relative Intensity
51.57445	0.5
55.62131	0.6
69.65065	0.7
72.73341	0.6
78.95906	9.3
80.79371	0.6
86.50764	0.6
100.39654	0.7
113.92628	0.8
119.84486	0.6
139.11275	0.9
152.99599	11.9
163.01668	10.8
171.10237	0.8
173.31628	0.7
173.63614	0.8
183.10316	0.9
187.09644	0.7
199.13353	1.2
201.11313	2.9
201.14893	1.2
237.05295	2.4
255.23315	100.0
493.29385	60.0
493.34909	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02452	0.4
59.81336	0.4
75.49091	0.5
78.95904	7.3
85.50254	0.5
96.96989	0.5
107.71346	0.5
123.85952	0.5
146.12398	0.5
150.88002	0.5
152.99571	10.3
163.01648	9.9
184.58817	0.5
237.05263	2.1
247.71754	0.6
255.06386	0.8
255.23312	100.0
280.35248	0.6
283.76782	0.6
363.77100	0.7
493.29428	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17109	0.8
58.45953	0.9
68.99222	0.9
78.95905	1.9
79.22204	0.8
83.02509	1.9
85.04056	1.6
152.99600	5.6
160.76868	1.1
167.28197	0.9
188.03534	1.6
214.05164	1.7
216.06671	3.9
218.08220	1.4
230.08247	2.1
244.09778	10.6
256.09836	2.1
257.10483	1.2
258.11325	1.5
270.11411	6.6
284.12985	1.9
286.14590	6.4
298.14670	1.9
300.16162	6.9
312.16080	11.9
313.16873	4.1
336.70724	1.2
344.68933	1.0
352.19241	5.0
355.16833	1.7
355.21613	3.9
381.23248	1.5
422.26990	4.5
424.28625	31.3
450.30316	17.7
493.30826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3543
Annotation	28-Homobrassinolide
Peak:m/z	Relative Intensity
57.03447	1.7
59.69815	1.4
68.12056	1.2
68.36794	1.3
69.51887	1.3
72.99291	2.5
73.02934	9.1
74.60368	1.5
75.00869	19.0
85.06567	1.5
125.09669	2.5
132.46767	1.3
139.11253	8.2
151.11288	13.2
167.10728	2.5
169.12305	8.7
213.11337	34.0
231.12375	20.3
237.97084	1.4
263.23688	3.2
279.23306	68.7
293.24860	6.4
337.23877	4.5
361.26694	1.5
493.35349	100.0
494.74731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99860	2.9
66.56950	2.8
74.02476	50.3
78.95925	3.3
79.95757	5.7
80.96519	4.4
82.31400	3.0
83.11795	3.2
87.37093	3.7
96.96052	10.6
99.36407	3.1
143.11902	94.7
152.99533	4.9
158.91676	3.7
169.13420	6.4
278.24939	4.9
374.30536	8.5
405.35126	5.6
433.32413	3.8
449.33963	49.0
493.29874	26.0
493.36401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67816	0.2
54.19561	0.2
56.04381	0.2
69.96513	0.3
73.02945	0.6
94.08733	0.3
95.93954	0.3
99.92583	3.4
103.88472	0.3
109.32686	0.3
113.02408	0.3
114.37259	0.3
116.92857	100.0
117.01939	3.5
172.02550	0.3
180.06732	0.4
334.32410	0.3
349.26938	0.3
415.13419	0.4
464.76505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27692	1.1
88.67782	1.0
88.96189	1.0
94.57907	1.0
94.58513	1.1
123.00882	2.8
137.02449	1.4
138.03232	16.9
139.92931	1.1
145.81972	1.1
151.00453	1.8
151.71118	1.0
153.05563	14.6
160.04039	5.4
166.02751	2.3
168.02956	8.8
172.54964	1.2
181.05009	1.8
182.35561	1.1
204.03040	2.4
211.06229	1.5
240.06703	13.8
284.05682	2.6
294.04120	7.1
295.02393	1.4
336.08981	2.1
364.08316	15.7
376.08212	11.5
390.06049	1.3
392.07806	18.0
402.06522	1.4
420.07291	84.7
435.09583	4.5
450.12009	34.7
494.11005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34249	1.1
72.99307	7.1
78.95911	2.0
85.79881	1.1
96.95998	1.8
96.96984	11.2
97.92600	1.2
119.05001	7.2
121.46483	1.1
122.35313	1.3
135.04532	20.2
163.03996	40.9
180.06638	1.3
181.05069	100.0
194.06125	2.1
196.07620	3.0
209.04411	1.3
210.05675	2.9
212.07085	9.4
224.07170	18.0
238.05104	1.8
240.31291	1.3
268.06174	22.6
312.05212	30.0
345.46808	1.3
348.44107	1.3
494.13663	2.3
506.49545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35400	0.7
53.61055	0.6
59.01381	100.0
65.28530	0.7
65.63697	0.7
71.01365	1.8
75.49941	0.9
77.86151	0.8
100.69187	0.8
101.02470	3.3
140.09303	0.8
167.29805	0.9
276.10413	1.0
306.11243	0.9
334.10806	1.0
378.09970	5.0
439.33646	0.9
458.79352	1.0
494.23489	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
93.31870	0.9
103.53654	0.9
117.98113	0.9
130.61630	0.8
143.35042	0.8
167.67567	0.9
210.32219	0.8
288.09619	0.9
334.10977	1.2
378.09982	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.194
Annotation	Unknow
Peak:m/z	Relative Intensity
79.35599	1.2
103.55689	1.4
119.86969	1.4
122.06132	3.0
126.21916	1.3
133.36423	1.4
151.31451	1.5
188.22723	1.6
215.11905	2.0
238.11160	1.8
254.10567	3.3
266.10602	9.9
267.11404	11.0
282.10144	10.4
294.04019	1.9
294.10242	5.6
295.10907	6.2
311.10367	10.4
325.11768	2.9
330.12527	2.1
344.14087	7.0
346.19424	3.4
347.12418	1.7
358.15659	3.2
359.16394	6.1
360.13644	2.4
374.18744	14.2
375.16916	3.3
376.16574	10.9
387.12753	1.8
388.12714	1.8
390.18356	11.2
400.16776	2.8
401.14011	1.7
402.14798	2.6
416.16333	11.1
418.17798	100.0
444.15692	7.8
462.16788	98.4
494.11502	4.8
494.19208	55.4
494.25659	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77577	0.5
52.10523	0.5
70.63477	0.5
71.43231	0.6
75.32279	0.6
78.95906	6.5
79.91998	0.5
86.27329	0.6
94.96161	0.6
125.09678	0.7
149.19785	0.7
152.99590	20.8
182.02325	0.8
182.58278	0.6
238.04802	1.1
255.23311	100.0
269.24854	1.4
494.28955	62.4
518.96814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98166	0.7
61.98828	1.3
63.99136	0.7
65.62664	0.9
78.95900	100.0
82.26592	1.0
96.96950	10.4
99.00874	0.9
140.07452	0.8
152.99580	31.7
171.00648	48.6
190.05057	1.6
201.69991	1.0
297.24008	0.9
400.04971	1.0
420.25186	4.3
446.38144	0.9
494.28949	95.1
518.11658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89418	0.7
65.00607	0.7
73.18142	0.8
78.95898	7.8
88.09491	1.1
98.67017	0.9
108.46886	0.8
122.27979	0.9
137.21765	0.9
152.99583	23.3
255.23312	100.0
409.31665	0.9
426.20908	0.9
494.29010	54.7
511.66296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
64.85154	0.5
71.01373	1.1
72.99295	0.5
76.41772	0.5
83.72771	0.6
89.02421	1.0
94.62050	0.5
97.06549	0.5
100.09869	0.4
101.02404	2.1
105.01938	10.2
106.02291	1.2
113.02427	0.8
120.37979	0.6
125.09718	25.5
125.10635	1.0
132.08238	0.5
133.01379	0.6
133.90359	0.5
142.12332	0.7
168.10274	0.5
186.11366	100.0
187.11699	0.5
273.79825	0.5
347.87775	0.5
370.98453	0.6
482.98538	0.7
494.23492	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95490	0.5
61.98833	100.0
68.24814	0.6
87.17761	0.5
93.59539	0.5
117.89348	0.5
120.94458	0.5
121.72702	0.5
135.04526	0.6
148.11110	0.6
161.02451	0.8
174.94467	0.5
179.03508	0.6
254.28601	0.6
406.51114	0.6
407.60675	0.6
431.31686	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3261
Annotation	1-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.35365	0.4
55.89537	0.4
61.98831	0.8
78.95899	10.4
92.22570	0.6
152.64961	0.5
152.99596	3.4
168.04327	3.3
224.06943	6.5
242.07950	1.1
269.24881	100.0
279.98654	0.5
374.85229	0.6
494.32602	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59400	2.2
53.85004	2.5
79.81554	2.6
92.08620	2.5
121.03326	2.8
130.08714	3.2
185.06213	2.8
203.40746	2.8
225.16093	10.1
266.56839	2.7
433.31934	6.2
451.32953	100.0
494.33490	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11692	0.4
59.01372	1.3
71.01382	1.2
71.38132	0.7
72.99305	5.4
73.02924	1.0
75.00877	1.0
83.77470	0.5
89.02422	0.7
99.92575	3.5
101.02444	0.7
103.47921	0.5
115.04000	3.4
116.92847	100.0
117.01916	1.2
117.05564	20.5
123.04570	0.7
130.55103	0.6
133.01450	0.5
135.04581	0.8
165.05553	0.8
169.09567	0.6
179.03488	6.6
197.04561	13.9
229.60822	0.6
279.10754	0.8
333.06223	6.3
495.10947	7.2
495.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49606	0.4
59.01377	0.7
66.57149	0.4
71.01397	0.8
72.99300	29.4
89.02431	0.9
89.99102	0.5
99.71134	0.6
101.02445	0.7
123.04494	6.5
135.04510	8.2
153.02007	1.8
179.01907	1.2
179.03494	35.9
197.04561	100.0
215.05493	0.6
239.05577	0.5
243.06660	0.8
256.03851	1.0
259.06277	2.0
271.06021	2.2
296.99728	0.6
333.06195	44.6
359.09799	3.1
495.11426	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1151
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
51.92527	0.8
54.06063	0.8
54.06412	1.0
55.35830	0.9
59.01377	1.5
67.02048	1.0
71.01360	2.1
72.16953	1.0
72.66329	1.1
72.99305	27.7
89.02439	1.9
101.02441	1.3
123.04527	6.6
131.09468	1.1
133.01414	6.8
135.04535	10.0
179.03493	37.2
192.23540	1.2
197.04561	100.0
243.06752	1.4
259.06189	1.5
261.25229	1.2
333.06171	39.0
359.09842	2.0
495.11475	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	34.6
77.00420	1.2
103.20241	1.3
109.70823	1.3
123.04510	7.2
135.04532	11.1
136.01648	14.2
137.02460	14.5
151.03967	17.7
156.31204	1.4
179.03497	36.6
180.07048	1.4
197.04567	97.9
359.09933	14.6
363.76044	1.6
389.54858	1.7
487.58127	2.0
495.11536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18462	1.1
62.12597	0.9
72.99303	31.3
85.93153	0.9
86.15923	0.9
89.02473	1.0
94.05128	0.9
109.68843	1.1
123.04519	6.4
131.59013	1.1
135.04526	9.3
146.79047	1.2
153.01929	1.1
156.22449	1.2
158.51256	1.0
166.01337	0.9
179.03505	37.8
197.04564	100.0
206.85147	1.0
243.06657	1.6
271.06091	2.0
333.06174	42.9
359.09863	5.3
429.91183	1.0
495.11496	36.5
495.20288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94828	1.0
59.63242	1.1
67.81525	1.1
72.99309	30.4
75.30457	1.2
76.42619	1.2
108.18908	1.3
109.02969	1.8
111.85619	1.4
116.10638	1.3
123.04511	3.1
135.04515	11.4
179.03506	41.8
197.04567	100.0
216.25749	1.4
216.46281	1.4
221.44975	1.4
236.52029	1.3
333.02264	2.7
333.06195	56.1
359.09833	2.1
461.73648	1.5
495.11505	46.6
499.65836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
62.50058	0.6
70.53352	0.5
71.01387	1.4
72.99306	30.1
80.64038	0.7
89.02437	0.9
89.50466	0.6
92.22765	1.4
123.04519	7.7
135.04535	8.1
136.01672	13.6
137.02454	11.3
146.10532	0.7
151.04027	11.8
168.99016	0.6
176.21919	0.7
179.03513	32.0
190.63931	0.7
195.02997	1.5
197.04576	100.0
215.05750	0.9
258.05334	1.2
359.09833	11.4
394.50473	0.8
495.11533	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1152
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01367	1.2
62.50058	0.6
70.53352	0.5
71.01387	1.4
72.99306	30.1
80.64038	0.7
89.02437	0.9
89.50466	0.6
92.22765	1.4
123.04519	7.7
135.04535	8.1
136.01672	13.6
137.02454	11.3
146.10532	0.7
151.04027	11.8
168.99016	0.6
176.21919	0.7
179.03513	32.0
190.63931	0.7
195.02997	1.5
197.04576	100.0
215.05750	0.9
258.05334	1.2
359.09833	11.4
394.50473	0.8
495.11533	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89023	1.6
61.83037	1.7
64.17124	1.9
67.12688	1.8
67.63825	1.8
68.08850	1.9
69.28342	2.3
70.02980	4.4
72.00924	3.8
75.77180	1.9
88.06321	2.0
96.00915	15.7
98.46370	1.9
99.99828	2.1
113.03570	37.4
114.01941	49.9
123.05619	11.5
131.04628	99.9
132.03030	13.4
143.04607	12.8
149.03540	5.1
149.50282	2.2
154.56468	2.1
157.06201	4.0
167.04605	12.9
193.02553	3.9
211.03589	41.9
229.04657	55.8
247.05731	100.0
462.46472	2.2
494.51797	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87130	1.0
59.01384	100.0
59.52800	1.0
59.81481	1.1
67.75381	1.1
68.55237	1.1
72.33447	1.2
73.06818	1.1
75.91738	1.3
85.02973	1.7
100.09589	1.1
103.00375	36.5
103.04002	5.6
113.02419	1.9
127.54874	1.3
128.03494	2.2
133.05074	58.6
153.03136	2.1
175.06142	16.6
219.05000	5.6
260.35733	1.4
289.09897	1.5
345.23163	1.2
425.13422	1.5
502.14709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1364
Annotation	Napyradiomycin A 2
Peak:m/z	Relative Intensity
59.01384	4.2
71.01380	4.6
71.05030	3.0
71.87477	1.7
72.99306	21.8
73.02937	2.9
83.05014	16.8
85.02975	1.9
89.02449	2.6
97.02948	8.7
99.00898	1.9
99.92586	3.1
100.93364	3.4
101.02416	2.6
108.37089	2.0
111.00823	2.0
111.04497	29.0
115.00378	2.2
115.03220	3.2
115.04004	58.8
115.92064	7.2
116.92855	97.9
117.01941	2.2
117.04433	2.4
117.05566	34.2
127.04006	92.9
129.01933	1.7
129.05595	16.7
137.02432	2.8
153.01936	2.5
155.03494	100.0
168.41855	1.8
169.05020	2.6
171.02942	3.5
173.04526	7.9
199.02480	61.8
217.03542	56.8
315.07336	3.0
357.08249	3.3
366.56192	2.3
417.10434	8.5
477.12494	42.7
495.07434	4.3
495.13724	81.1
495.20697	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1515
Annotation	Oxypaeoniflorin
Peak:m/z	Relative Intensity
50.33697	0.5
53.10075	0.5
58.45815	0.6
58.91872	0.5
59.01381	1.4
67.40818	0.5
71.01383	12.7
72.51230	0.6
85.02961	1.0
87.00857	1.0
92.23042	0.9
99.04508	1.2
107.05030	0.9
133.02946	5.7
134.03754	5.0
135.04526	80.8
135.98413	0.7
137.02440	2.4
161.02443	69.1
179.03497	46.6
305.10306	0.8
361.52835	0.6
423.12985	2.6
495.15140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20878	1.4
59.01384	23.2
71.01378	9.5
73.02941	10.6
75.00869	2.5
79.58551	1.4
85.02924	2.1
89.02452	2.0
101.02459	13.4
108.02185	1.9
113.02449	8.9
117.03455	8.5
119.05007	3.5
121.02952	3.9
123.00897	1.7
133.02927	2.4
140.12979	1.8
145.01837	4.1
145.02956	100.0
146.61354	2.1
163.04018	4.1
241.05043	2.6
253.05133	3.3
256.07489	7.1
257.04584	3.3
259.06079	3.3
268.07385	8.4
269.04526	3.1
271.06125	3.4
272.06992	2.5
284.07138	2.6
285.04184	2.3
333.20987	2.6
405.09598	2.7
417.09851	27.3
420.12396	4.1
432.12305	25.9
435.14682	9.8
435.22296	20.6
447.14621	42.2
451.16208	73.8
465.15509	20.8
477.15305	3.6
495.16602	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1647
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
55.02120	10.2
71.01350	12.0
92.67522	11.8
98.33041	9.9
134.58939	9.2
136.58003	9.5
188.94548	11.5
236.79303	11.0
386.72842	10.8
418.34912	12.1
495.16306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39786	1.8
59.01371	3.2
66.48324	2.1
67.64959	1.8
71.01376	14.6
73.02950	2.4
85.02949	3.2
101.02442	10.2
113.02457	4.2
115.04001	2.2
135.04529	36.8
149.10165	1.9
152.99554	4.1
161.04576	24.7
190.10022	73.9
191.10809	100.0
208.84024	2.1
233.11763	2.6
320.59256	2.0
345.06302	8.1
383.85339	2.0
495.18961	36.6
495.26230	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1668
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
56.09358	1.8
78.95905	9.1
83.49252	1.9
83.96632	1.9
84.47646	1.7
108.58049	1.9
109.51035	2.3
119.54641	2.1
123.00965	3.1
137.02434	3.9
137.99611	2.7
139.00403	3.4
141.56604	2.7
151.00342	2.3
152.99571	4.9
165.91805	2.0
171.00764	1.9
175.06557	2.0
176.54865	2.1
208.74272	2.0
241.05049	4.8
253.05096	8.4
256.03754	2.3
256.07397	13.5
257.04590	4.6
259.06131	9.3
268.07462	17.7
269.04602	9.6
271.06104	14.2
272.06961	4.4
284.06812	4.8
285.07764	2.4
286.08328	3.3
287.05417	3.1
314.69998	2.1
405.09885	10.6
417.09879	52.4
420.12149	12.5
432.12177	45.9
435.14822	18.9
447.08344	3.7
447.14542	100.0
465.15659	42.9
477.15750	11.6
495.16406	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24837	0.6
54.14834	0.6
54.65549	0.6
55.85524	0.7
59.19273	0.7
61.91932	0.8
65.60361	0.7
67.05804	0.8
74.89846	0.7
76.70525	0.8
84.93866	1.7
92.22530	1.1
93.34245	0.8
94.97894	0.8
94.98550	0.9
99.92580	13.1
100.93352	10.9
104.01221	0.9
113.39660	0.7
115.08850	0.8
115.92074	17.5
116.92851	100.0
126.94933	3.8
152.99655	0.9
170.93971	7.1
214.92934	1.5
219.01099	0.9
256.55502	0.8
379.15860	1.2
447.14972	1.0
477.15854	1.2
495.17017	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47625	0.6
55.88339	0.6
59.01381	2.7
67.03342	0.6
71.01377	39.7
89.02457	4.7
93.68089	0.7
93.71133	0.6
99.00887	3.4
101.02454	0.7
106.78753	0.7
113.02456	2.7
114.93400	0.7
115.00365	100.0
119.82377	0.6
145.21748	0.8
191.05634	0.8
284.29803	0.7
293.63232	0.7
295.66656	0.7
379.16147	14.5
459.15091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
71.01367	30.9
72.99297	27.1
73.02940	78.5
81.03460	19.5
85.02940	16.8
89.02433	5.9
89.44294	3.0
97.02911	4.1
99.00869	6.0
99.04536	27.0
101.02453	6.5
109.78158	3.2
113.02431	11.8
114.33578	3.2
115.04006	32.0
116.92854	100.0
117.05565	18.6
133.01414	5.5
135.04520	4.3
161.04582	14.3
179.03494	20.8
190.15384	3.0
192.77686	3.2
194.14343	3.3
197.04550	56.2
207.13882	2.9
279.10916	75.7
280.48056	3.3
333.06131	22.6
417.67035	3.3
495.11157	6.4
495.17172	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07387	0.8
59.01377	6.6
61.98837	0.9
64.64883	1.0
69.28481	0.8
71.01376	22.3
71.68068	0.9
73.02942	10.6
77.40942	0.9
78.95890	1.3
83.01398	2.0
85.02959	15.9
87.00924	1.0
88.98814	1.1
89.02415	1.0
89.91188	1.0
95.01406	1.8
98.12731	1.0
99.00865	2.4
101.02426	15.0
113.02435	13.1
115.04006	2.2
119.05023	1.1
122.03779	2.3
123.04495	1.0
135.04526	23.9
136.05305	1.8
148.05296	2.3
152.99599	1.7
153.05595	1.1
159.02986	4.3
161.04562	27.0
163.03989	4.1
176.08401	4.7
177.09209	1.2
179.28238	1.0
190.10007	12.6
191.10794	100.0
205.08650	2.0
235.09680	1.6
353.15997	5.7
397.15109	3.9
495.18845	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.76634	0.9
69.15950	1.2
71.01381	11.9
73.02937	4.8
76.76836	1.0
81.18604	1.0
83.01351	1.2
85.02936	5.2
86.90203	1.1
90.74683	1.1
99.00854	1.6
101.02455	8.2
110.45345	1.3
113.02445	6.5
115.04047	1.7
135.04520	29.6
136.05321	2.7
145.76315	1.1
147.54790	1.1
148.05276	2.2
154.72865	1.1
159.02992	1.6
161.04564	23.2
164.04756	1.3
173.09688	1.8
177.54652	1.4
190.10020	64.7
191.10794	100.0
203.10808	1.7
344.28900	1.2
353.15967	4.6
495.18835	23.2
506.23764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37851	0.9
50.95203	0.9
59.01375	2.9
71.01379	12.6
73.02943	1.2
74.37235	1.3
82.80107	1.1
83.01424	1.4
85.02946	8.3
87.19219	1.1
89.02419	1.4
99.00897	1.7
101.02432	10.9
113.02467	8.1
115.03999	6.4
135.04530	35.5
136.05312	5.3
161.04535	17.4
164.04784	5.5
173.09724	8.3
175.07574	2.1
190.10007	91.6
191.10799	100.0
205.08659	1.5
244.79640	1.2
324.31570	1.2
353.15997	1.9
397.14880	9.4
469.11624	1.2
495.18802	50.6
495.25632	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90649	0.5
53.99192	0.6
55.98058	0.5
59.01375	5.2
61.63960	0.7
71.01382	5.3
71.48390	0.6
73.02940	1.4
78.95905	1.0
83.01374	0.8
85.02938	3.7
97.02956	0.9
101.02425	4.0
105.51103	0.6
108.48515	0.6
113.02445	3.7
113.12077	0.8
115.04023	5.7
135.04539	26.1
136.05283	2.7
148.05331	1.3
161.04582	8.1
164.04781	3.7
175.07622	0.7
176.08266	0.8
190.10013	100.0
191.10806	49.0
191.12207	0.9
303.06720	0.7
353.16031	3.4
377.44647	0.8
495.18832	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2008
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
50.59719	16.0
61.53052	15.5
61.98840	15.1
68.10584	16.9
70.89904	16.7
74.15495	14.5
76.78484	17.5
78.48827	18.7
78.95903	25.6
81.95307	16.1
105.18322	20.6
108.03973	21.1
127.64409	20.8
152.99603	46.8
168.89177	19.3
204.21616	19.9
262.81235	20.6
291.16705	18.9
495.20135	100.0
495.34918	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2008
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
62.05426	0.8
78.95902	100.0
79.62812	0.8
81.09097	0.8
82.74622	1.0
83.36127	0.8
95.91724	0.8
96.96941	3.5
103.27974	0.8
125.09718	20.3
152.99574	30.8
171.10277	51.5
187.09760	25.5
223.23221	0.9
247.48912	0.9
307.09506	0.9
323.09085	1.5
495.20056	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2016
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
59.01372	4.7
71.01376	11.0
72.99332	2.4
85.02936	2.7
93.03445	2.3
97.02999	2.9
101.02427	5.6
113.02442	8.3
115.03953	4.3
119.33401	2.4
135.04523	29.6
136.05254	2.8
137.02469	2.9
161.04591	10.2
164.04849	3.8
190.10010	100.0
191.10777	52.8
245.15408	2.4
333.20865	4.0
495.19727	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2063
Annotation	Selexipag
Peak:m/z	Relative Intensity
55.88477	1.4
80.43105	2.2
88.49426	1.9
99.92583	23.2
100.93352	21.0
108.97070	1.6
110.16077	1.5
115.92069	37.0
116.92849	100.0
139.85469	1.5
141.33025	1.7
142.94400	2.2
154.94392	2.1
184.95465	20.3
186.93335	2.0
197.96321	1.9
214.96567	3.6
269.40210	1.7
278.59384	2.0
279.23297	11.9
285.44995	2.2
395.15182	3.1
433.20889	2.3
449.16031	2.1
475.79858	1.9
477.19510	7.7
481.94690	1.9
495.20612	82.6
495.37100	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
59.01102	2.2
59.01381	43.5
60.65972	1.3
71.01392	14.3
73.02939	15.3
83.01398	2.1
85.02973	10.1
89.02413	3.2
92.06196	1.4
99.00882	3.6
101.02431	27.3
113.02474	10.4
129.01932	1.4
159.03017	2.1
161.04503	13.0
164.39211	1.5
178.02721	2.6
193.05113	2.4
242.47733	1.7
277.16544	28.9
319.17532	2.4
365.64755	1.7
409.21075	10.0
418.76663	1.5
451.21924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47579	2.2
59.01375	6.3
67.97530	2.1
70.69663	2.1
71.01392	2.3
79.95734	26.6
86.22633	2.7
89.02441	4.5
91.02599	2.6
91.21603	2.2
100.54269	2.3
135.04544	4.3
149.02449	10.7
152.10912	2.5
152.99576	5.4
153.62189	2.5
219.06871	2.9
283.06348	3.9
287.51312	2.7
345.05942	10.0
357.17520	14.8
387.18607	6.1
401.20163	22.0
450.17474	42.7
451.18265	37.0
495.20908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82449	0.6
58.22366	0.8
58.42462	0.6
59.01383	43.2
62.95034	0.8
71.01382	19.7
72.99303	11.9
73.02932	9.9
83.01374	6.2
85.02950	8.4
87.00842	1.0
89.02440	18.7
99.00879	1.3
101.02437	27.8
103.03989	3.4
113.02438	12.1
115.03995	1.9
119.03507	7.2
125.02455	1.4
131.03468	2.0
143.03505	4.6
159.03009	1.2
161.04565	4.7
163.06137	4.7
199.13335	1.4
205.07152	4.3
265.09299	0.8
268.41766	0.9
289.16617	10.0
315.19965	1.0
369.84137	0.9
423.22128	0.9
435.22424	100.0
474.52243	0.9
495.25278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.3
61.98841	2.8
71.01376	36.9
72.99308	3.9
73.02947	15.9
78.95902	3.8
83.01392	4.4
85.02946	18.2
89.02441	8.6
99.00822	2.9
101.02437	34.5
113.02437	17.8
119.04945	2.7
135.04539	3.4
143.03659	1.8
161.04558	10.0
163.03996	3.6
165.83673	2.0
182.60550	1.9
190.10007	3.3
191.10835	15.6
195.51605	1.9
241.05081	2.5
253.04883	2.1
256.07672	2.6
268.07538	3.3
269.04688	3.3
289.16614	14.3
417.09854	17.2
420.12347	3.8
432.12088	13.3
435.15775	3.7
435.22369	100.0
440.23859	2.2
447.14536	26.3
465.15491	11.8
495.16251	17.5
495.26300	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92875	0.6
53.19117	0.6
56.96122	0.5
57.03444	1.4
59.01368	4.2
63.64327	0.6
73.04547	0.7
75.00861	6.8
78.95904	1.4
85.02972	1.0
99.00876	5.5
108.50101	0.7
129.01956	3.3
134.20541	0.8
138.11298	0.7
147.02995	9.1
152.99554	1.2
211.49486	0.8
228.73001	0.8
231.17493	1.3
247.17133	0.8
249.18622	100.0
255.23146	1.5
314.02811	0.9
342.32343	0.8
346.02130	0.8
470.33041	0.8
495.26022	46.0
495.33145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.3
64.91927	0.9
71.01378	2.6
71.54600	0.9
73.02938	1.9
76.39303	1.0
78.95885	1.2
85.02934	4.3
87.35992	1.0
92.02541	1.0
92.08121	0.9
101.02426	6.3
101.28742	1.0
113.02413	1.4
130.22658	0.9
152.99521	1.3
162.03192	1.7
165.05505	1.9
299.09250	5.6
495.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2609
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
52.59521	0.3
52.79768	0.3
53.22697	0.4
59.01377	2.8
71.01366	2.4
73.02943	1.7
78.95899	0.5
83.01354	0.5
85.02934	1.0
99.00875	0.5
101.02435	3.8
108.21777	0.4
113.02400	0.5
138.57565	0.4
158.04440	0.4
159.03101	0.5
273.61383	0.4
320.03864	0.5
466.97043	0.5
495.26068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2604
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
51.59926	2.1
59.01390	22.6
59.28358	2.0
59.80472	2.6
60.19140	2.4
63.87602	2.3
64.98140	2.1
71.01369	6.9
73.86638	2.4
87.00915	3.6
89.02437	13.3
101.02457	5.8
113.02451	4.0
116.96206	2.6
119.03442	3.6
179.05603	4.1
226.06400	2.7
271.20587	2.7
287.20160	12.1
297.18472	4.8
299.20264	4.0
315.19693	59.4
317.21268	62.0
333.20752	64.4
413.65961	2.9
445.29590	3.4
451.15710	4.7
495.25983	100.0
506.01019	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2607
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
57.03447	5.5
59.01381	1.8
71.01366	6.7
72.99316	1.1
75.00863	30.0
78.95891	1.2
83.01403	1.8
85.02943	31.7
95.01387	5.0
99.00855	1.8
113.02429	22.2
114.68982	0.8
115.80214	0.8
129.01965	1.2
132.70575	0.9
152.99539	0.8
157.01395	0.9
157.65567	0.8
163.51097	0.8
190.32968	0.9
209.45993	0.8
227.35933	0.9
244.07648	1.0
260.97894	0.9
348.24249	0.9
495.26056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2605
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
58.29399	1.0
59.01381	33.4
66.25103	1.1
71.01384	14.7
85.02934	1.8
89.02434	21.3
93.03400	2.3
101.02419	12.4
110.23599	1.4
113.02434	8.7
113.39314	1.2
119.03492	6.8
121.02951	48.6
137.02437	15.2
150.03497	1.3
160.19612	1.5
235.23340	1.2
315.19696	73.4
495.26102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2733
Annotation	Ardisenone
Peak:m/z	Relative Intensity
66.38110	0.5
78.95916	2.4
87.89908	0.4
89.55503	0.5
115.19176	0.5
116.92868	1.8
152.99573	10.0
159.35295	0.5
171.00658	1.2
173.74355	0.5
174.67317	0.6
186.53880	0.5
196.89528	1.0
218.27753	0.5
227.03204	0.7
267.23306	100.0
281.23721	0.7
302.02493	1.1
367.24506	0.6
415.75983	0.6
495.27301	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38110	0.5
78.95916	2.4
87.89908	0.4
89.55503	0.5
115.19176	0.5
116.92868	1.8
152.99573	10.0
159.35295	0.5
171.00658	1.2
173.74355	0.5
174.67317	0.6
186.53880	0.5
196.89528	1.0
218.27753	0.5
227.03204	0.7
267.23306	100.0
281.23721	0.7
302.02493	1.1
367.24506	0.6
415.75983	0.6
495.27301	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2738
Annotation	Ardisenone
Peak:m/z	Relative Intensity
50.21681	0.7
53.75835	0.8
57.86018	0.7
78.95905	15.9
84.12936	0.9
96.96952	1.7
97.16568	0.9
152.99588	64.7
171.00664	9.8
222.50177	1.2
227.03223	3.5
245.04327	24.2
267.23325	10.8
281.24792	1.7
358.16589	1.1
381.79993	1.0
409.23560	1.7
441.79425	0.9
495.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79809	0.4
58.71725	0.4
60.44564	0.3
62.57296	0.4
62.78835	0.3
108.02406	0.4
116.92905	0.5
117.01983	0.4
139.80289	0.4
255.23306	0.6
279.23312	100.0
495.29626	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.297
Annotation	Lesterone
Peak:m/z	Relative Intensity
51.79922	2.3
55.52045	2.1
56.85825	2.5
59.01368	5.6
64.62880	2.4
75.00871	6.2
83.05013	14.8
85.02943	4.5
109.02903	3.6
111.04536	3.2
113.02453	5.3
125.09711	4.7
125.85474	2.5
127.03987	15.3
127.11268	10.0
129.01933	3.9
130.27399	2.8
136.05310	16.6
143.87216	2.7
152.04764	4.4
171.02998	4.6
175.72090	3.3
183.83838	2.5
199.02449	17.0
211.13451	3.6
240.89624	2.6
241.18123	10.1
263.16400	5.3
267.16110	4.9
277.18335	3.6
279.19894	4.1
293.21423	3.6
295.19189	12.1
305.17728	4.6
306.18503	26.9
323.18539	6.1
335.25845	9.2
347.25824	25.6
365.26837	3.9
373.27484	10.1
375.29007	32.2
387.29419	3.8
391.28543	11.4
397.27432	14.0
415.28558	19.3
419.28024	18.8
433.29581	23.3
451.30539	30.1
459.27396	4.3
477.21945	4.3
477.28601	100.0
495.29865	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39013	2.5
57.03445	6.1
59.00409	2.3
59.01371	3.1
71.05022	15.0
71.15931	3.3
91.45946	2.8
138.05597	16.5
139.05934	3.6
141.72992	2.5
169.17966	2.8
169.75800	3.7
174.25694	2.8
210.00053	3.2
244.92697	3.4
267.26944	62.0
281.28473	30.3
325.31146	5.7
337.56952	3.3
342.25684	3.0
369.30109	100.0
495.36227	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19904	0.9
69.03451	3.8
80.02378	0.8
82.08346	0.8
83.05038	2.2
84.19823	0.8
84.38383	0.9
93.03449	100.0
97.02932	2.2
97.06577	1.3
107.06873	1.0
108.64133	1.0
109.02207	1.1
109.02941	23.0
111.04511	49.4
136.55586	1.0
139.11267	4.0
155.03493	87.4
201.26549	0.9
235.84343	1.0
270.92413	1.1
279.23218	5.1
292.05511	0.9
495.37164	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.3
62.11864	1.8
62.42502	1.9
66.87415	1.8
71.01377	74.1
74.01746	2.2
78.95906	12.1
91.88884	1.8
115.00363	51.1
126.83112	2.1
136.62250	2.0
152.99561	8.8
233.04781	44.0
235.06316	2.8
246.05634	9.9
247.06461	8.9
248.03496	14.2
248.07179	10.0
261.04272	3.5
262.05109	28.8
263.05951	18.1
276.03262	2.0
276.06519	3.3
277.03592	3.2
278.04593	14.4
278.08215	10.9
280.06219	2.9
290.04556	10.8
291.05423	13.7
292.06180	21.5
293.06915	2.5
304.54214	2.0
305.03241	4.4
306.04080	39.0
306.07724	14.3
308.09296	2.9
320.05621	51.4
321.06485	11.2
335.08096	18.6
336.08832	100.0
380.07675	39.8
481.51566	2.1
496.08890	2.9
496.20352	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21724	0.4
70.36983	0.4
70.49763	0.4
78.95901	0.9
91.80726	0.5
94.48222	0.5
141.77110	0.5
152.99573	2.0
157.66264	0.6
212.03548	0.6
320.07086	0.9
324.02887	0.6
324.35489	0.6
326.08072	0.7
336.06610	3.3
337.07483	0.7
338.08282	1.0
340.06027	1.2
341.06174	0.6
348.06619	2.0
349.07068	0.6
350.08237	2.3
352.06094	3.0
353.07013	2.8
354.07706	2.5
364.06058	7.0
365.06964	4.4
366.07697	8.8
376.06128	1.0
377.06882	2.6
380.09540	0.7
382.07147	3.9
392.05634	2.1
393.06406	5.7
394.07153	29.6
398.06775	2.1
404.05420	0.7
408.08630	3.9
409.09528	13.0
412.08240	4.8
421.05978	2.5
422.06754	25.5
426.06113	4.1
436.08438	2.9
437.09003	6.2
441.08646	9.3
452.11432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24341	0.4
56.56065	0.5
62.22600	0.4
70.02969	0.8
73.68970	0.4
82.02984	0.5
84.04538	0.9
88.29083	0.5
92.22533	0.5
98.01151	0.6
101.02430	2.0
104.43720	0.5
115.36257	0.5
126.05614	0.9
128.03534	100.0
144.22960	0.5
154.05115	1.2
164.04816	0.8
168.06686	2.1
170.04610	5.4
200.05667	26.7
200.08508	0.7
205.04910	0.6
206.05902	0.9
221.08272	0.6
254.06714	3.4
265.07086	2.2
272.07794	0.8
496.14578	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24341	0.4
56.56065	0.5
62.22600	0.4
70.02969	0.8
73.68970	0.4
82.02984	0.5
84.04538	0.9
88.29083	0.5
92.22533	0.5
98.01151	0.6
101.02430	2.0
104.43720	0.5
115.36257	0.5
126.05614	0.9
128.03534	100.0
144.22960	0.5
154.05115	1.2
164.04816	0.8
168.06686	2.1
170.04610	5.4
200.05667	26.7
200.08508	0.7
205.04910	0.6
206.05902	0.9
221.08272	0.6
254.06714	3.4
265.07086	2.2
272.07794	0.8
496.14578	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75811	2.8
62.29922	3.0
76.09975	3.2
120.01223	6.8
123.04537	6.6
149.02431	5.4
150.03227	51.4
151.04013	62.4
158.08800	3.3
164.04849	18.5
165.05563	62.4
168.10460	3.6
176.66724	3.7
179.07156	16.9
180.04283	4.2
181.05038	19.8
195.06583	3.5
211.04414	3.6
283.09796	14.6
294.06555	3.7
312.10080	5.6
327.12445	4.2
361.11194	100.0
409.13266	15.5
496.16473	98.3
511.42865	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57289	0.7
55.21998	0.7
57.41961	0.8
59.41669	0.6
61.98829	4.2
65.35618	0.8
65.57002	0.7
67.01399	0.8
78.95899	33.0
92.23091	1.6
96.22369	0.7
96.96954	4.3
150.10350	0.9
152.99580	100.0
167.94481	0.8
171.00641	4.1
179.52890	0.8
264.61508	0.8
279.23279	3.7
309.33740	0.9
433.23645	58.0
433.29602	1.9
442.17560	0.9
452.59247	1.1
496.27252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89868	1.2
61.98833	100.0
63.17376	1.3
70.57545	1.6
79.52379	1.4
100.39840	1.3
130.23105	1.3
135.47702	1.6
136.28851	1.2
166.45691	1.3
166.71812	1.4
321.85422	1.4
342.71945	1.4
389.35867	1.4
435.97992	1.5
496.37268	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73858	0.4
53.97257	0.4
54.27211	0.4
55.10028	0.4
55.75138	0.4
71.83171	0.4
76.59187	0.4
78.95901	31.5
86.49713	0.5
88.14048	0.4
96.96944	2.7
117.80634	0.5
150.97961	0.7
152.99583	100.0
171.00633	4.6
189.83931	0.5
255.23312	3.2
267.23254	0.8
268.23682	5.7
344.10162	0.5
409.18369	0.9
409.23639	24.4
433.23642	4.6
452.21390	0.6
496.26932	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13189	0.4
58.38931	0.5
61.98833	1.0
78.95900	28.9
81.51098	0.4
96.96957	3.2
119.96665	0.5
152.99586	100.0
159.59309	0.5
171.00656	4.1
189.86221	0.6
193.72415	0.5
255.23343	3.0
267.23297	1.2
268.23621	3.7
268.40640	0.5
272.96179	0.5
301.24753	0.6
409.23676	18.5
433.23709	11.3
439.42966	0.6
477.19476	0.6
483.47049	0.6
496.26953	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44690	0.5
61.70091	0.5
78.95899	32.8
85.13036	0.5
91.42009	0.5
96.96943	2.7
111.16216	0.5
122.08379	0.6
148.34322	0.5
150.98003	0.5
152.99580	100.0
171.00656	2.2
196.89427	0.7
255.23322	3.4
268.23706	0.9
409.23605	24.4
424.73776	0.6
433.23807	2.6
480.47784	0.6
493.50204	0.6
496.26883	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42236	0.4
68.25952	0.4
78.95901	31.2
78.96362	1.1
83.91803	0.4
96.96922	3.2
150.97964	1.0
152.99583	100.0
171.00714	3.4
180.57475	0.5
255.23277	3.6
364.81281	0.5
409.23654	23.4
433.23538	1.0
496.26889	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19970	1.1
70.99897	2.2
72.99314	11.4
88.33694	1.4
89.45573	1.4
102.98891	12.9
114.98895	3.0
115.00352	2.8
130.98343	3.5
133.01434	11.4
136.98573	7.1
141.00418	3.1
144.95219	1.5
153.00473	2.3
154.98380	47.0
154.99669	7.9
156.99910	8.1
168.37347	1.4
170.15450	1.4
172.99405	68.3
183.01457	3.5
184.99396	19.9
191.05556	2.1
195.01440	1.5
196.99480	1.5
208.99493	3.2
215.00494	100.0
227.00470	23.1
243.03543	8.9
245.01546	22.3
257.01523	2.1
275.02567	20.2
317.03647	6.6
335.04736	29.4
377.05835	2.6
437.08093	2.1
497.10004	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14655	0.5
57.67817	0.4
58.46862	0.4
67.73943	0.5
69.74586	0.5
70.37160	0.5
73.41034	0.5
75.23592	0.5
83.05006	2.4
89.02424	0.7
93.03448	8.3
111.00842	0.6
111.04508	12.4
116.92812	0.5
134.03654	0.9
135.04521	39.6
137.02426	3.3
141.28938	0.6
155.03506	8.5
161.02435	22.5
179.03500	100.0
221.64986	0.7
229.45686	0.5
311.73404	0.6
335.07748	13.3
341.08777	21.3
341.12869	1.0
449.74448	0.6
468.80377	0.7
497.12961	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44709	0.6
80.23611	0.6
93.03443	3.5
96.59785	0.6
106.76576	0.7
110.20924	0.6
111.04539	4.3
135.04526	54.5
137.02422	3.6
155.03493	0.8
160.01669	0.9
161.02428	13.4
173.04529	1.4
175.04016	5.2
179.03508	100.0
191.05598	1.1
193.05048	2.5
335.07776	28.2
341.08792	2.3
459.15207	3.9
497.13083	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34819	0.4
64.47379	0.4
70.00015	0.4
70.29542	0.4
75.13097	0.4
83.05037	1.0
86.17732	0.4
93.03438	8.4
111.04507	11.4
113.38279	0.5
134.03729	0.6
135.04515	33.3
137.02440	3.1
154.46126	0.4
155.03494	7.9
161.02455	3.8
163.03949	0.5
171.06586	0.6
179.03502	100.0
291.08752	0.5
291.22391	0.4
335.07681	3.4
341.08746	20.5
368.40912	0.5
444.57446	0.6
481.76990	0.7
497.13071	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1308
Annotation	Verproside
Peak:m/z	Relative Intensity
51.58620	0.8
56.93555	0.8
58.27885	0.7
59.01377	4.5
65.32457	0.8
66.26769	0.9
68.32357	0.7
71.01378	4.7
72.89697	0.8
72.99289	1.9
83.05041	1.8
89.02431	3.7
92.23061	0.9
93.03445	12.0
101.02444	1.6
110.52026	0.8
111.04522	6.3
113.02468	1.1
115.00354	1.0
116.92858	15.7
117.05565	1.0
119.03535	1.0
131.03506	1.2
133.01430	4.4
135.04529	54.1
137.02441	33.5
145.83234	1.1
155.03496	3.4
161.02443	23.9
179.03508	100.0
197.04602	1.3
200.50327	1.2
230.15784	0.9
287.09125	1.7
299.07657	7.6
335.03732	2.0
335.07764	59.0
341.08868	2.1
381.17291	0.9
497.12836	24.8
497.18561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38924	0.4
59.01375	1.1
59.57149	0.5
60.20408	0.5
60.21662	0.4
61.78373	0.5
72.99296	0.5
85.73969	0.5
89.02438	0.5
93.03444	7.9
111.04519	6.6
133.01451	1.0
133.02936	0.9
135.04524	45.0
137.02466	7.0
155.03505	4.1
161.02441	17.2
165.05505	0.6
173.04565	1.9
179.03502	100.0
183.17766	0.5
335.07776	48.7
341.08771	4.8
497.12976	21.5
497.21432	0.7
497.22699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1305
Annotation	Verproside
Peak:m/z	Relative Intensity
59.01365	1.2
61.16865	0.9
71.01390	1.3
73.02945	0.9
77.25349	0.6
89.02427	0.9
93.03455	1.9
94.98068	1.1
101.02448	1.1
105.11179	0.9
111.04496	1.7
113.02459	0.7
120.08781	0.7
135.03477	1.7
135.04518	47.8
137.02475	5.5
161.02449	14.3
171.30701	0.8
179.03502	100.0
335.07788	27.2
341.08859	0.9
437.20261	1.8
496.56964	0.8
497.13092	49.3
500.58286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34819	0.4
64.47379	0.4
70.00015	0.4
70.29542	0.4
75.13097	0.4
83.05037	1.0
86.17732	0.4
93.03438	8.4
111.04507	11.4
113.38279	0.5
134.03729	0.6
135.04515	33.3
137.02440	3.1
154.46126	0.4
155.03494	7.9
161.02455	3.8
163.03949	0.5
171.06586	0.6
179.03502	100.0
291.08752	0.5
291.22391	0.4
335.07681	3.4
341.08746	20.5
368.40912	0.5
444.57446	0.6
481.76990	0.7
497.13071	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
59.33127	0.7
65.70656	0.7
72.99305	51.6
99.32146	1.0
105.52855	0.8
122.92532	0.8
123.04520	19.3
135.04521	26.8
136.99158	3.3
137.02501	0.8
149.08589	0.9
151.04008	1.1
178.37567	0.8
179.03510	52.1
197.04564	100.0
284.79587	0.9
397.27090	1.0
492.07800	0.8
497.12659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.39780	1.0
64.73068	0.8
67.06840	1.1
72.99303	44.6
84.36012	0.9
85.20440	1.1
85.69707	0.9
108.63635	1.1
123.04517	21.4
133.01378	1.3
135.04535	32.8
137.02466	4.1
161.02510	1.6
166.38937	1.3
179.03502	54.0
191.50726	1.2
197.04559	100.0
361.09985	1.4
437.16455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
66.26720	0.3
71.01375	2.1
78.95898	0.4
83.01381	0.5
85.02952	0.9
86.91564	0.4
89.02445	1.8
89.13181	0.4
101.02426	2.4
108.02195	0.7
109.02941	31.9
113.02412	0.8
115.03995	3.1
116.86081	0.4
119.03551	0.5
152.01173	3.3
153.01930	100.0
168.00638	0.5
179.03394	0.6
197.04555	0.8
227.05760	0.4
293.06683	2.0
317.21149	4.7
335.22427	0.6
345.09827	0.5
497.16650	70.3
497.27448	15.0
524.85699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1666
Annotation	6-O-Vanilloyl-ajugol
Peak:m/z	Relative Intensity
58.16103	1.0
59.01368	1.9
70.83006	1.1
71.01380	1.5
72.99302	80.0
75.00869	1.9
85.02931	1.4
89.02453	1.6
110.69636	1.2
111.00879	1.2
123.04527	19.8
128.03526	2.9
135.04517	27.9
143.20796	1.2
149.02383	1.2
151.03983	1.6
179.03497	69.3
186.61516	1.2
197.04561	100.0
240.67189	1.1
247.66165	1.4
277.87234	1.2
359.10016	9.8
479.15619	51.8
497.16718	46.0
497.26672	2.4
497.32944	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21793	0.7
71.01368	0.7
72.99297	5.3
77.57420	0.7
78.36302	0.5
91.92362	0.7
92.82396	0.7
96.90463	0.6
119.05007	6.3
123.04521	19.1
133.01422	0.8
135.04527	14.2
139.85603	0.6
153.05576	100.0
154.82545	0.6
163.04004	30.4
179.03522	0.9
181.05074	79.7
232.81187	0.7
249.57608	0.6
268.43036	0.7
315.10883	44.4
382.91193	0.7
434.79218	0.9
443.32230	0.9
497.13293	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52252	0.8
59.01364	1.3
71.01375	1.2
78.04028	0.8
78.95901	100.0
89.02419	1.0
95.01366	1.9
96.85709	1.0
96.96947	1.9
111.00872	1.5
111.08155	8.7
113.13498	0.8
123.00892	1.1
123.04520	5.1
125.09718	11.7
134.73886	0.8
137.09738	0.9
137.85010	0.8
152.99582	36.7
153.05554	8.1
155.10736	0.8
159.76372	1.1
171.00526	1.0
173.08189	18.2
187.09781	24.9
191.05571	2.1
199.09877	1.1
251.07129	3.4
325.10861	1.1
335.22412	1.7
366.07797	1.2
396.12408	3.8
452.07507	1.2
482.12701	6.1
497.18097	50.2
497.27881	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1805
Annotation	Sphenalactone C
Peak:m/z	Relative Intensity
59.01390	1.4
69.25641	0.6
71.01349	0.7
78.95905	100.0
96.96952	1.1
111.08167	14.3
125.09725	8.7
152.99586	19.1
153.37610	0.7
163.97021	0.7
173.08205	33.9
187.09749	13.1
273.13715	0.8
299.52045	0.8
309.07529	1.0
497.18008	71.1
497.26285	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38626	0.6
51.08865	0.5
52.61514	0.5
53.65954	0.6
78.95903	100.0
96.96928	2.9
100.15790	0.7
102.49017	0.7
111.08151	15.0
119.46637	0.6
122.77518	0.6
125.09701	9.6
126.97636	0.6
141.73978	0.6
152.99591	18.9
173.08197	29.6
184.01576	0.8
187.09776	15.6
272.17017	0.7
309.07455	0.8
323.09006	0.9
341.62018	0.7
412.49017	0.8
497.17932	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23239	0.2
59.01384	3.0
67.01896	3.7
71.01385	1.7
78.95900	0.5
85.02940	0.6
89.02421	1.5
101.02425	1.1
111.00874	100.0
113.02474	0.4
119.03573	0.4
141.22952	0.3
152.99568	2.6
154.07224	0.3
199.98917	0.3
205.12402	0.4
236.58055	0.3
239.28119	0.3
250.16156	0.4
280.88467	0.3
325.63593	0.3
363.34552	0.3
393.73779	0.3
497.20987	3.5
497.27969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53753	0.7
59.01382	25.4
71.01369	5.8
71.08952	0.7
80.96511	0.9
85.02978	0.9
87.00891	1.1
89.02435	5.7
92.23100	1.3
101.02414	6.0
113.02423	1.9
119.03467	3.5
148.91176	0.8
153.83722	0.9
197.04562	1.5
257.12189	10.6
437.18539	49.6
497.20715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2165
Annotation	Heteroclitin C
Peak:m/z	Relative Intensity
57.24328	1.5
59.75617	1.5
59.75943	1.5
60.54161	1.4
60.69027	1.8
67.69809	1.7
70.97632	1.5
76.65432	1.6
81.23806	1.9
152.99577	2.5
187.40111	2.0
192.55318	1.9
437.24194	4.2
497.21539	100.0
497.27783	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24006	1.2
57.03439	1.4
59.01384	20.3
71.01378	41.6
73.02942	12.0
75.11297	1.1
83.01368	3.0
84.57729	1.2
85.02939	13.7
87.00900	1.4
89.02438	15.5
95.01414	1.3
99.00890	5.1
101.02436	31.6
113.02444	21.7
120.53558	1.4
125.02448	1.4
143.03493	2.0
143.10767	11.0
153.87949	1.3
159.02957	3.1
161.04536	11.9
257.96234	1.4
293.08945	1.4
305.16080	23.8
344.04001	1.6
437.20331	100.0
452.61087	1.4
497.17877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08451	0.4
50.64816	0.4
59.01376	3.8
63.87654	0.6
71.01376	3.2
73.02951	2.4
78.16088	0.6
80.74245	0.5
85.02947	1.2
87.00868	100.0
99.00858	0.7
101.02436	4.7
111.04521	0.8
112.04131	0.6
113.02522	1.8
118.26728	0.6
120.50784	0.6
196.44705	0.6
207.33997	0.6
263.18030	0.6
269.19254	0.9
277.16641	1.2
333.20844	0.9
335.22369	9.0
393.24326	0.6
409.20822	20.5
497.21960	1.5
497.27731	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14965	0.7
54.54562	0.7
57.03454	1.4
59.01372	3.7
60.54312	0.9
61.98820	1.0
71.05022	8.4
78.95905	6.2
79.03908	0.7
92.23044	0.9
125.09710	25.9
152.99583	39.0
169.08728	1.0
171.10194	1.1
187.09744	24.1
197.19116	26.1
211.13390	1.4
220.26280	1.0
223.20685	11.3
225.22252	47.1
227.03209	4.4
251.20114	5.7
269.21255	58.7
293.67853	0.9
351.39764	1.0
358.20203	1.6
387.33124	1.0
484.14487	0.9
497.25201	100.0
497.31412	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2529
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
64.96795	0.8
71.05019	6.2
71.57165	0.8
78.95904	5.4
81.82629	0.9
92.22601	1.1
94.63747	0.8
94.64561	0.8
104.25503	0.9
112.81576	0.9
113.23904	0.8
122.79968	0.9
125.09701	9.0
152.99591	31.8
187.09721	7.7
197.19128	19.0
205.55351	0.8
223.20692	7.0
225.22249	34.8
227.03259	4.3
251.20212	6.6
269.21249	52.0
275.05255	1.1
346.81836	0.8
405.80789	1.0
497.25293	100.0
497.31287	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
59.01104	1.6
59.01381	27.6
71.01382	20.9
72.20939	0.8
72.99301	4.9
73.02943	11.6
83.01385	5.3
85.02944	11.3
87.00884	1.0
89.02440	4.7
95.01363	1.1
96.93182	0.8
99.00896	1.9
101.02441	38.8
105.06232	0.8
113.02436	14.7
125.02445	1.4
143.03520	1.0
159.03027	3.8
161.04550	12.9
228.41321	0.9
271.22629	0.9
291.18176	19.2
437.23978	100.0
485.19650	1.0
497.26694	4.0
503.14182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2764
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
53.51933	0.5
55.83871	0.5
59.01381	34.3
59.33380	0.5
60.99615	0.5
71.01379	16.4
73.02940	1.1
75.00869	13.2
83.01393	0.6
85.02938	3.8
86.25137	0.6
89.02438	24.0
95.01342	0.8
95.86762	0.6
97.56097	0.5
101.01778	0.7
101.02438	17.4
104.20087	0.5
109.02955	6.3
111.04513	0.5
113.02446	10.5
115.25255	0.5
119.03482	7.9
120.39241	0.7
121.89165	0.6
132.39101	0.5
153.01932	19.9
153.03093	1.1
196.17181	0.6
226.12044	0.6
289.16745	1.1
317.21243	53.5
335.22360	0.7
341.19598	0.8
372.95074	0.6
421.20859	11.3
497.16870	10.1
497.27652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2762
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
50.01799	0.6
59.01105	1.0
59.01385	22.6
71.01019	0.9
71.01382	15.9
73.02934	1.6
83.01375	1.1
85.02944	4.2
87.00880	0.8
89.02443	15.0
95.01352	1.2
96.52879	0.9
99.00860	1.3
101.02433	16.0
113.02436	7.5
118.39242	0.7
119.03508	5.2
144.39893	0.7
161.04436	1.1
173.04561	1.0
251.18004	3.5
269.19016	1.3
297.18494	1.2
315.19650	0.9
317.21338	1.8
335.22321	27.4
350.59601	0.7
497.27649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2763
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
50.51223	1.6
58.95425	1.4
59.01376	12.0
66.39880	1.6
71.01379	17.3
73.02946	8.2
76.83400	1.5
76.99714	1.5
78.95898	3.3
83.01382	2.5
85.02964	3.4
89.02420	2.1
92.23058	2.4
101.02427	15.8
105.92313	1.5
106.66896	1.6
111.04547	1.9
113.02459	9.8
114.10081	1.7
119.08600	1.7
121.03300	1.4
125.89986	1.5
133.68184	1.7
142.04910	1.7
152.99571	10.6
161.04649	5.7
173.04465	1.9
235.15059	7.4
251.18047	11.1
253.15892	3.5
288.24496	1.6
297.18552	2.5
315.19727	6.1
317.21277	4.0
335.22314	88.3
497.27695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2765
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
59.01373	1.4
63.25179	0.2
66.82097	0.2
71.01379	1.3
72.23082	0.2
72.99319	0.3
73.02950	0.5
75.00874	0.3
75.52352	0.2
76.94939	0.3
77.89559	0.2
85.02936	1.0
89.02437	0.4
101.02452	1.6
109.62070	0.3
110.06425	0.2
113.02441	1.0
149.02423	1.4
152.99612	0.6
157.63029	0.3
179.03502	0.4
182.70891	0.2
186.09138	0.3
197.04616	1.5
317.21246	1.0
335.22311	11.1
444.80444	0.3
479.26608	2.0
497.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2762
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
59.01382	5.2
65.63479	0.6
65.69388	0.5
71.01382	4.3
72.84071	0.5
73.02954	1.3
79.03679	0.5
85.02935	2.7
87.00852	0.7
89.02439	3.8
90.47039	0.6
96.96011	1.3
101.02440	7.1
106.23110	0.5
113.02419	2.6
119.03504	0.9
130.29393	0.6
161.04527	0.6
177.02092	0.5
198.37799	0.6
275.20239	7.1
282.33551	0.5
290.88840	0.5
317.21274	11.6
335.22333	21.2
443.00586	0.7
490.43561	0.7
497.27612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2764
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.01881	0.9
57.03442	1.2
58.74480	0.9
59.01382	19.8
71.01381	25.4
73.02954	9.9
83.01392	6.3
85.02950	14.7
87.00873	1.7
87.81948	0.9
88.19073	0.9
89.02449	7.0
92.23189	1.0
93.03447	1.3
93.26706	0.9
95.01393	1.4
97.18185	0.9
99.00869	4.0
101.02443	28.9
111.04517	1.0
113.02448	12.5
119.03481	1.8
129.01871	1.1
132.30151	1.0
161.04520	7.0
164.12083	0.9
173.51826	0.9
178.01852	1.0
178.76863	1.0
191.05693	3.5
245.73595	1.0
251.17992	2.0
263.18073	1.8
286.07816	1.2
297.18701	7.4
299.20184	9.6
317.21243	69.0
335.18301	1.9
335.22333	53.5
341.19669	1.3
497.27698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72414	1.6
58.76713	1.4
59.01376	3.9
66.97949	1.6
71.01367	4.6
73.80881	2.3
89.02422	3.5
100.87334	1.6
101.02437	4.5
103.87576	1.7
104.75762	1.7
109.93407	1.7
113.02408	2.3
129.02919	2.1
275.20206	8.7
317.21207	8.9
335.22443	19.6
377.68027	2.2
419.08545	2.3
497.15366	2.8
497.27594	100.0
506.57001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2768
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
50.73195	0.4
59.01368	2.1
63.60092	0.4
65.89328	0.4
71.01383	2.3
73.02949	0.6
78.95895	2.0
83.01398	0.9
84.25208	0.5
85.02949	1.9
85.36506	0.6
101.02432	3.4
102.79582	0.5
108.22157	0.5
110.54533	0.4
111.00854	2.3
113.02437	1.0
152.99625	1.0
177.02068	0.5
335.22263	9.1
479.26648	2.2
497.27441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01371	0.6
55.17253	0.8
57.04213	0.7
70.56044	0.7
78.95898	5.8
82.40109	0.7
96.12983	0.8
105.45047	0.8
128.09726	0.8
152.99591	22.9
174.00053	0.8
227.03111	1.9
243.10184	0.8
269.24881	100.0
430.95352	1.0
497.28940	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67927	0.9
55.89298	1.1
59.01360	1.6
69.57193	1.0
78.95889	6.2
83.13267	1.0
94.93787	0.9
152.99585	25.6
177.79405	1.1
227.03358	1.5
269.24893	100.0
307.80579	1.1
354.22940	1.2
410.39255	1.1
497.28894	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50249	0.7
59.01382	1.0
78.95915	5.8
107.34525	0.8
145.74234	0.9
146.07913	0.9
152.99583	28.2
192.00664	0.9
227.03343	1.4
228.33467	0.9
247.76257	0.9
262.75552	0.8
269.24875	100.0
356.17264	0.9
497.28922	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2894
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
50.75633	0.6
52.78518	0.6
78.95911	5.7
79.36250	0.7
101.56956	0.8
152.99585	23.8
166.28123	0.7
179.56876	0.8
184.52753	0.8
227.03224	1.3
245.04276	1.2
248.36119	0.9
269.24881	100.0
279.05423	0.8
307.34732	0.9
317.21201	1.5
497.28925	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85510	0.5
65.85573	0.6
68.67642	0.7
72.53624	0.7
78.95901	5.9
91.32246	0.7
94.99773	0.7
96.96894	0.6
111.53999	0.8
116.78333	0.6
137.50682	0.6
146.57762	0.7
152.99590	24.3
171.00597	0.7
200.32974	0.7
205.40279	0.7
222.41443	0.7
227.03239	2.9
269.24881	100.0
317.21158	1.5
338.58411	0.8
339.82150	0.7
411.95322	0.8
473.78720	0.8
486.81393	0.9
497.28943	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.289
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
57.40503	0.4
71.57580	0.5
72.03189	0.6
78.95893	3.1
85.82422	0.5
92.23116	0.6
109.99185	0.5
152.99588	10.1
180.93349	0.7
185.76556	0.5
217.80882	0.6
245.04230	0.6
269.24878	100.0
302.99246	0.5
497.28882	46.8
500.62482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.86213	1.7
61.95545	1.5
62.34153	1.6
65.64244	1.7
69.47065	1.7
70.91058	1.7
93.82666	1.6
97.06601	3.4
125.09710	100.0
155.10768	2.8
157.64610	1.8
165.12860	10.4
169.08755	3.2
170.31418	1.9
171.10251	2.5
187.09769	83.7
193.87257	1.8
209.11855	52.5
227.12862	3.1
240.34645	2.1
247.20673	9.8
291.19702	36.2
309.20715	50.3
325.20178	2.3
397.22452	7.2
497.25787	2.2
497.31427	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53260	1.1
59.01386	2.9
59.24718	1.3
64.50600	1.7
69.07599	1.8
71.01373	3.2
79.67678	1.5
95.05029	16.4
97.06586	79.5
103.86028	1.6
113.02460	12.3
115.07634	6.3
125.02419	16.6
141.05585	31.5
159.06651	15.0
161.85262	1.9
167.03506	2.3
185.04520	8.6
281.24890	15.2
281.28354	3.9
497.34903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05055	3.6
71.01384	4.9
88.83206	4.6
95.05009	16.0
97.06599	54.4
101.29151	3.7
111.07173	4.8
113.02445	18.4
113.10271	4.0
125.02406	22.6
141.05574	47.7
159.06622	6.6
185.04626	30.5
239.97803	5.4
270.42792	4.3
281.24591	4.4
353.85632	4.0
439.69080	4.7
497.23657	6.4
497.34915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17076	1.1
59.01378	2.4
61.65145	1.1
71.01385	4.7
76.73527	1.1
95.05019	15.4
97.06579	63.4
105.62910	1.1
113.02441	19.5
115.07634	5.3
125.02434	16.0
132.68456	1.2
141.05585	43.0
154.47523	1.3
159.06638	12.3
163.33934	1.5
166.05206	1.4
167.03517	2.9
170.21228	1.3
171.10300	6.1
184.06207	1.6
185.04594	26.4
281.24966	2.3
281.28564	2.4
340.59204	1.2
497.34894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60894	0.4
59.01376	2.4
65.31331	0.4
67.49195	0.4
71.01359	0.5
89.02425	0.4
92.22506	0.5
101.02506	0.4
107.21275	0.4
112.07296	0.4
141.58739	0.4
167.44153	0.5
173.76566	0.4
232.62949	0.5
257.11978	0.5
278.04471	1.0
305.03290	0.7
306.04117	100.0
320.05695	3.3
321.06479	30.4
321.63013	0.4
336.08823	47.4
438.18921	5.4
498.14102	29.8
498.21109	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53363	0.3
55.63078	0.4
69.32296	0.4
76.73595	0.4
78.43824	0.4
137.04868	0.5
151.60814	0.5
165.54579	0.4
189.86842	0.5
278.04474	1.1
292.06012	1.0
306.04117	100.0
320.05679	1.1
321.06479	29.1
336.08820	59.2
442.39102	0.5
498.14133	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94099	1.3
58.52811	1.3
59.01370	11.1
59.94221	1.5
61.98814	2.0
78.95901	12.0
88.34869	1.8
140.01183	6.4
185.99834	1.8
203.18088	2.1
214.04939	12.2
257.22723	11.5
273.79858	2.0
301.21738	100.0
455.19489	1.7
498.26196	90.3
498.33334	3.2
514.53577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2632
Annotation	AZD-9291
Peak:m/z	Relative Intensity
55.11549	1.0
59.01385	8.4
59.53673	0.9
60.51071	0.9
70.33945	1.1
71.39507	1.0
77.70286	1.1
78.95901	26.1
90.71892	1.0
92.23113	1.4
140.01173	13.2
152.99594	5.6
196.03796	19.6
214.04797	6.1
257.22736	7.5
301.21732	39.9
352.34427	1.4
357.61227	1.4
359.52100	1.3
402.80563	1.2
498.26337	100.0
524.03253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06356	0.9
61.98831	100.0
65.83509	1.0
79.33213	1.2
96.79971	1.1
114.78886	1.1
119.11794	1.0
279.23181	1.4
284.63995	1.1
509.54684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84774	0.7
59.07414	0.6
64.08233	0.6
95.05009	0.8
97.06587	30.2
111.08152	14.9
114.09246	4.2
125.09717	46.8
138.09308	1.1
142.12344	1.1
152.10831	3.1
158.08215	27.2
169.13589	0.7
172.09813	8.6
186.11362	19.5
294.17148	1.5
306.04202	3.4
311.19806	27.9
322.20172	1.8
325.21350	5.8
339.22885	16.7
498.31961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05927	1.1
70.19775	1.2
70.60576	1.2
80.05427	1.1
83.05045	1.6
97.06611	2.7
111.08160	12.5
120.01163	1.1
123.08169	1.3
124.01590	2.1
125.09711	69.4
131.99869	1.3
142.12395	1.5
144.06654	1.8
152.10847	3.0
158.11888	5.5
169.08662	1.8
172.09814	14.9
186.11368	66.8
187.09799	1.3
278.21249	1.6
280.03870	3.0
295.06088	1.9
310.08490	3.0
322.20441	4.5
325.10825	2.6
331.75302	1.4
339.22900	37.5
342.20895	1.2
383.29727	1.4
498.15912	10.8
498.35696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
57.32628	0.8
61.81927	0.8
78.95899	1.0
83.05019	1.6
87.88914	1.1
111.08154	45.8
118.90331	0.9
129.09244	1.4
139.11284	61.7
152.99614	5.8
173.08189	37.9
183.10272	40.0
201.11336	74.0
226.77197	1.2
435.25122	3.7
498.38190	100.0
517.51520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75826	1.0
59.01392	4.0
71.01369	2.6
73.02939	20.4
81.03447	1.5
83.05025	4.8
85.02942	2.3
88.98788	2.5
89.02435	5.6
90.26288	1.0
93.03445	40.5
99.00874	6.0
99.04486	8.2
103.00324	1.5
111.04498	26.6
118.30225	1.0
119.05006	33.3
129.01968	2.0
129.05644	1.1
131.08191	1.0
137.02449	19.6
143.03490	5.3
149.06033	1.4
151.04025	1.1
155.03479	14.4
163.04010	70.5
173.04547	100.0
173.10529	1.4
219.02960	1.3
227.11270	1.2
301.82144	1.2
325.09268	1.5
499.14505	23.4
512.82416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06731	2.1
56.66775	2.1
59.63187	2.3
63.07197	2.5
65.06972	2.3
65.87857	2.3
67.01897	3.9
76.92104	2.3
77.95595	2.7
87.00880	5.4
87.67217	2.3
89.44792	2.5
93.03449	41.9
93.96215	3.4
95.63220	3.0
111.04507	7.0
118.93961	3.2
119.05012	48.5
120.59821	3.3
155.39447	3.2
161.99864	3.1
163.04018	100.0
173.04553	25.7
174.09111	3.0
191.05614	5.5
246.95691	3.0
315.89276	3.2
440.98495	3.0
499.14545	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1466
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01370	1.2
60.99314	1.7
67.01888	4.9
69.03454	1.1
71.01376	3.8
71.57720	0.6
76.03148	0.7
82.98728	0.6
85.02934	1.1
87.00868	9.4
93.03451	52.4
95.57626	0.7
111.04512	12.6
113.02396	1.1
119.05005	12.1
127.03992	0.8
129.01927	1.7
145.02907	0.9
155.03511	4.3
163.04005	29.4
173.04552	38.2
189.29924	0.7
191.05627	69.9
325.09332	1.0
337.09219	3.5
416.45255	0.7
457.07095	0.9
481.01691	0.9
499.14639	100.0
520.90662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18689	0.4
51.39050	0.4
57.44127	0.5
59.01358	1.1
66.24532	0.5
70.44450	0.5
71.01366	2.6
72.20155	0.5
75.81916	0.5
93.03455	13.2
107.40326	0.6
109.02986	0.6
110.12878	0.5
111.04499	3.4
113.02456	0.6
119.05018	14.2
127.16335	0.6
137.02460	3.9
153.05602	0.7
155.03487	3.6
163.02647	1.3
163.04007	31.6
173.04547	100.0
293.00284	0.7
325.09323	5.2
385.46417	0.6
439.82050	0.6
499.14636	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1469
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01381	6.7
59.97208	0.6
71.01365	1.1
73.02907	0.7
73.84932	0.7
85.02927	1.2
87.00907	0.7
89.02428	1.4
93.03453	1.4
106.95944	0.8
111.04461	1.1
113.02411	1.8
115.03989	1.1
119.05022	44.5
149.25900	0.7
155.03514	3.1
163.04015	100.0
164.07170	3.6
173.04546	3.7
191.05606	3.2
252.71761	0.7
290.58896	0.8
325.09302	10.0
341.11084	1.1
499.14624	50.0
513.94800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1463
Annotation	kn-93
Peak:m/z	Relative Intensity
55.06731	2.1
56.66775	2.1
59.63187	2.3
63.07197	2.5
65.06972	2.3
65.87857	2.3
67.01897	3.9
76.92104	2.3
77.95595	2.7
87.00880	5.4
87.67217	2.3
89.44792	2.5
93.03449	41.9
93.96215	3.4
95.63220	3.0
111.04507	7.0
118.93961	3.2
119.05012	48.5
120.59821	3.3
155.39447	3.2
161.99864	3.1
163.04018	100.0
173.04553	25.7
174.09111	3.0
191.05614	5.5
246.95691	3.0
315.89276	3.2
440.98495	3.0
499.14545	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98793	0.7
60.14246	0.7
73.02956	1.3
93.03445	10.9
99.00877	1.3
106.02343	0.8
111.04515	5.1
119.05016	44.1
135.04515	1.3
137.02454	4.6
155.03546	2.0
157.12442	1.1
161.02322	0.9
163.04008	100.0
165.98232	0.9
173.04556	35.1
175.58757	1.1
179.03539	4.3
180.03838	3.4
181.03976	1.5
193.20601	1.0
193.72520	1.2
209.04149	0.9
210.01503	0.9
225.66527	0.9
325.09277	20.1
334.67606	0.9
367.29160	1.0
499.14636	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65799	0.7
51.87707	0.8
55.22936	1.0
59.01379	1.4
59.02463	0.8
70.02963	2.4
71.02502	2.0
72.00890	1.1
73.02944	2.2
73.41875	0.9
78.85423	1.1
85.02953	2.5
85.04102	1.0
86.02449	1.0
89.86168	1.1
93.03456	2.3
95.02506	6.3
98.02462	1.7
100.04033	18.1
101.02453	1.7
110.06094	4.2
111.02025	1.5
111.04552	1.7
112.04006	1.4
113.03558	38.6
114.01957	19.1
119.04999	21.0
131.04611	100.0
134.77023	1.4
135.04549	1.5
137.02449	2.0
149.02336	1.2
153.06657	2.0
161.02325	1.2
163.04008	42.9
164.04715	4.1
173.04503	5.8
179.03502	4.3
180.03894	1.2
185.05696	1.2
203.06770	19.6
205.05032	2.1
208.03801	1.3
215.06799	1.5
223.06093	11.4
275.08856	14.0
307.08197	1.5
325.09433	11.3
367.10321	6.9
499.15176	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43280	0.8
59.01378	0.9
70.02969	2.1
71.02523	1.4
72.99313	1.0
73.02948	1.7
92.22402	1.0
95.02483	1.7
98.02460	1.1
101.02470	7.4
101.03143	0.8
111.01998	1.0
113.03564	36.7
114.01957	19.6
118.17461	0.9
131.04619	100.0
143.03525	1.1
174.05478	0.8
185.05672	1.6
191.03526	1.4
203.06750	17.0
205.04980	1.1
206.05774	6.0
221.08211	3.5
223.06160	1.1
250.04752	3.4
265.07208	13.8
367.10306	4.9
468.75418	1.1
499.15610	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.07817	0.5
71.04642	0.5
111.04546	0.6
130.77953	0.5
144.15912	0.6
231.86835	0.6
306.97073	0.7
351.22647	0.6
447.40292	0.6
499.25815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99169	0.8
53.92110	0.9
57.43973	0.9
59.01380	24.0
66.22674	0.8
71.01368	10.7
73.02960	8.3
81.75412	1.0
85.02382	0.9
85.02926	2.3
89.02440	9.9
93.03468	1.9
101.02438	13.7
101.73872	1.0
105.77543	1.1
111.04514	1.3
113.02483	1.9
115.04035	1.1
119.05013	47.2
119.05849	1.8
127.04037	1.4
131.03485	5.1
143.03723	1.4
145.05077	4.6
149.04562	5.5
152.26933	0.9
155.03522	1.6
163.04004	100.0
173.04588	7.3
191.05714	1.7
199.57904	1.3
205.07237	5.0
224.25946	1.1
325.09335	9.7
349.11270	3.7
499.14725	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61212	0.9
59.01382	47.0
61.18195	0.9
71.01323	1.2
89.02476	1.1
94.10817	0.9
101.02422	1.0
103.00372	100.0
114.29517	0.9
118.72204	0.9
135.10803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41729	0.7
58.35150	0.6
59.01384	65.9
72.23717	0.7
92.23148	0.7
112.98581	1.8
125.21378	0.8
138.20689	0.7
146.03737	20.5
161.06081	11.6
164.04811	18.1
169.08771	0.8
176.17288	0.8
179.07150	100.0
244.55611	0.9
297.53961	0.8
341.12561	3.4
369.13666	0.8
422.66968	0.8
471.99155	0.7
499.19449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1824
Annotation	Rolapitant
Peak:m/z	Relative Intensity
50.56491	0.8
59.01375	2.0
72.99302	72.1
83.36099	0.9
89.02438	1.1
101.02423	1.8
111.00885	7.5
123.04501	20.4
135.04524	22.5
151.03958	1.3
152.99542	2.6
179.03494	70.7
179.10767	2.3
197.04572	100.0
205.05052	1.3
286.79904	1.4
336.19464	4.2
337.20270	1.7
401.18246	1.4
499.18198	100.0
499.24286	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81040	1.3
52.83029	0.9
53.73011	0.8
55.69657	1.0
64.54881	1.0
67.54900	0.9
68.99570	58.9
112.98563	100.0
172.61166	1.1
174.45862	1.2
199.92851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.3
66.17823	0.8
71.01371	8.6
72.47879	0.7
78.98598	4.2
79.95750	3.7
80.96518	31.3
85.02948	2.9
87.00863	3.1
89.02453	1.0
91.26289	0.7
91.51593	0.8
93.03448	4.4
94.98077	10.1
95.01366	0.8
96.72041	0.8
97.02959	0.7
99.00906	0.8
101.02438	4.2
106.02031	0.7
106.98118	1.3
111.04506	10.7
113.02435	1.1
122.97584	1.5
125.02418	4.0
127.04036	1.2
134.97591	3.2
137.02423	1.3
148.99136	4.1
152.98616	6.0
155.03531	3.4
162.18547	1.0
164.98647	15.9
171.10477	0.9
173.04520	4.9
199.13431	4.5
201.11305	0.9
206.99722	3.7
225.00743	21.2
299.04407	3.8
343.21326	6.3
499.18625	100.0
499.24774	4.3
515.37744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03441	1.0
57.96660	0.7
59.01383	19.6
61.63120	0.6
71.01379	12.1
72.73152	0.6
72.99268	0.7
73.02944	5.2
83.01391	3.2
85.02943	9.3
87.00867	0.7
89.02432	5.2
97.02940	9.4
99.00880	1.2
101.02433	15.6
111.00839	1.4
113.02437	6.4
115.04005	31.9
119.03487	0.8
121.06607	0.8
126.01726	0.7
127.69241	0.7
149.69341	0.8
168.92397	0.8
177.12828	5.0
187.05670	0.8
195.13896	7.6
221.11781	8.6
326.87170	0.8
401.18185	11.5
499.21942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
55.83870	0.8
59.01383	24.6
60.53738	1.0
61.23998	0.9
62.36021	1.0
64.01328	0.8
71.01373	15.4
72.99328	4.2
73.02950	4.4
73.08691	0.9
83.01376	4.5
85.02950	9.3
87.00877	1.8
89.02438	6.2
95.01369	1.4
97.02920	9.7
99.00873	1.2
101.02444	18.9
111.00944	1.2
113.02460	9.6
113.21947	0.9
115.04007	32.9
119.03516	1.8
135.04462	1.4
138.97586	1.0
154.76244	1.2
177.12895	4.5
179.03510	4.8
181.55681	1.2
195.13910	4.4
197.04599	5.8
221.11937	5.3
262.08658	1.4
383.17316	1.4
401.18262	12.4
426.48386	1.2
439.33133	1.2
499.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29442	1.9
59.01384	26.9
67.13184	1.8
68.96815	2.2
71.01365	13.4
73.02941	16.9
89.02436	2.7
97.06664	2.1
101.02457	2.4
113.02439	9.1
114.82285	1.9
152.99579	3.0
160.64494	2.4
165.28793	2.1
205.25952	2.5
263.31815	3.3
273.22250	8.8
277.21741	100.0
279.42978	2.3
291.23294	50.6
291.75974	2.6
301.21838	4.6
319.22809	25.8
321.89212	2.3
349.23737	2.4
421.10068	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3074
Annotation	Saponaceolide G
Peak:m/z	Relative Intensity
50.18223	0.4
59.01379	1.5
76.28339	0.4
92.44585	0.3
111.45677	0.4
125.09742	5.1
171.42596	0.4
172.76637	0.4
187.09749	4.1
206.22903	0.4
211.13414	0.7
261.09497	0.4
335.55255	0.4
407.29767	0.5
419.29636	2.0
437.30557	2.6
455.31827	7.8
499.30750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3072
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
51.38418	0.5
53.99479	0.5
59.01390	0.7
63.30236	0.5
68.35481	0.6
69.09965	0.6
70.55868	0.6
78.18776	0.6
78.76045	0.6
124.72401	0.6
125.09711	19.4
129.01648	0.6
141.09056	0.6
171.10284	1.0
187.09749	14.9
193.55518	0.7
212.63524	0.7
345.13351	0.8
403.26199	0.9
419.29587	9.7
423.28690	0.8
437.30524	2.8
481.29080	1.0
481.46759	0.8
499.30765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3071
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
59.01382	0.7
59.62799	0.5
62.13998	0.4
67.87787	0.6
72.44652	0.6
125.09730	11.5
168.67969	0.6
187.09781	14.1
204.26790	0.6
271.22751	0.7
284.27441	0.6
329.23083	0.7
386.60703	0.5
397.51181	0.7
403.26431	3.1
419.29794	10.2
437.30560	6.1
453.30038	0.6
481.29803	0.7
499.30795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50836	1.1
54.79895	1.2
57.03443	1.3
58.75682	1.2
59.01381	1.7
70.80501	1.1
74.43760	1.5
92.95814	1.3
97.06603	1.4
101.28096	1.2
117.01371	1.3
125.09715	95.9
139.11263	6.8
157.12527	1.4
169.08728	2.8
171.10265	19.0
175.66115	1.7
187.09767	75.9
293.21225	7.7
311.22278	7.6
329.23352	8.4
422.85638	1.5
473.49045	1.6
499.32828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3283
Annotation	Discarine E
Peak:m/z	Relative Intensity
60.97710	0.7
64.71201	0.7
69.26055	0.6
78.05818	0.9
87.42993	0.8
97.06573	4.7
99.07327	0.6
107.28623	0.7
111.22080	0.6
118.94695	0.8
123.08147	1.8
125.09710	83.7
126.64249	0.7
128.37537	0.7
133.31126	0.8
139.11249	1.1
143.10785	0.9
169.08678	3.6
171.10341	6.0
187.09758	74.0
211.13411	10.2
229.14421	4.7
293.21234	6.8
311.22324	3.7
329.23352	8.8
369.71341	0.9
437.02435	0.9
441.94510	1.0
451.28418	2.9
455.24271	1.0
497.83096	0.8
499.24835	3.2
499.32825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3285
Annotation	Discarine E
Peak:m/z	Relative Intensity
56.25837	0.9
59.01383	1.1
59.23986	1.0
85.28152	1.3
92.54390	1.0
92.90378	1.3
93.89130	1.1
97.06591	1.8
97.59311	1.2
97.83356	1.2
98.03849	1.2
125.09715	83.0
139.11360	1.7
169.08636	1.7
171.10242	13.0
187.09769	100.0
191.45332	1.1
191.89720	1.2
201.11391	1.3
203.82359	1.1
211.13374	1.5
293.21194	2.3
311.22324	5.0
329.23431	4.5
352.97537	1.3
499.25375	2.7
499.32864	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3435
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
52.65723	0.3
54.36724	0.3
58.18371	0.3
59.01371	1.5
73.38895	0.3
75.00879	0.8
75.76036	0.3
197.15491	0.6
279.23471	0.5
499.34393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35664	2.2
72.85060	2.1
88.55828	2.6
92.28936	2.5
97.06559	10.4
125.09712	100.0
128.29378	2.5
169.08713	3.6
187.09776	38.7
243.12415	6.2
255.23312	75.0
261.13419	11.7
312.68152	2.6
356.60513	2.6
429.05261	2.6
485.35840	2.8
499.36514	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
62.58034	1.0
62.93721	1.0
82.89881	1.4
94.21219	1.2
97.06583	7.8
123.08091	2.1
125.09715	100.0
169.08672	5.8
187.09758	58.7
201.32541	1.6
243.12355	8.3
251.20750	1.3
251.64531	1.4
255.23320	64.6
261.13434	8.9
278.22089	1.6
469.82806	1.5
499.36157	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65548	1.0
98.50978	1.1
108.28432	1.4
108.44460	1.3
117.62939	1.2
174.97429	1.1
204.36307	1.2
224.81995	1.4
249.18600	100.0
303.12881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77986	1.1
56.22852	1.1
56.26922	1.2
59.01376	19.8
68.15742	1.2
70.82539	1.1
71.01375	15.4
73.02946	7.6
83.01376	1.5
85.02955	7.3
89.02439	19.1
99.00896	10.0
101.02415	7.8
113.02445	8.6
116.92818	1.4
118.02935	2.2
130.06593	2.9
144.04555	90.2
146.02489	67.7
153.05550	1.6
158.06097	8.9
160.04027	3.5
161.04601	2.6
162.05602	8.6
170.06104	3.0
172.04134	3.0
173.04640	2.2
174.05569	7.5
186.05585	3.3
188.03473	2.0
188.07138	7.2
198.05603	5.4
215.02727	1.3
216.06680	33.0
218.08487	1.4
228.02861	1.7
228.06723	2.2
293.08755	5.7
348.10870	6.9
389.57956	1.4
404.14349	1.5
438.14063	3.3
440.11996	25.1
456.15048	1.7
467.66660	1.8
482.13135	11.1
500.14197	100.0
509.11365	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04049	0.6
71.01385	1.5
74.83120	0.6
88.04037	24.3
114.01939	2.9
115.00381	9.9
132.03023	100.0
159.63693	0.7
169.67513	0.6
170.08435	0.6
204.05125	7.1
205.05096	0.7
206.05759	0.6
210.85857	0.6
223.06175	1.3
265.07281	0.9
282.47162	0.6
308.60614	0.7
392.23087	0.7
500.13928	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45411	0.6
59.01384	0.8
71.01361	1.0
76.54475	0.7
88.04033	23.2
95.27840	0.6
100.04043	0.7
113.02454	1.5
114.01957	3.1
115.00359	10.7
132.03027	100.0
164.04793	0.9
165.31519	0.6
186.04179	0.7
193.05217	0.8
204.05232	5.0
223.05989	1.1
294.16339	0.7
327.12857	0.7
451.54202	0.7
485.70160	0.7
500.14197	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32768	0.6
64.40704	0.6
66.80595	0.7
93.19405	0.7
94.72916	0.7
176.67494	0.8
183.21286	0.8
264.30838	0.8
280.06464	1.0
294.07706	1.6
308.05673	100.0
322.07224	4.2
323.08029	54.6
338.10379	74.6
407.05267	0.8
500.15686	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36735	0.5
54.18772	0.5
58.47810	0.5
73.07895	0.5
75.61398	0.6
76.25834	0.5
80.50704	0.5
91.79243	0.6
96.03675	0.5
126.86472	0.5
133.52992	0.6
211.73788	0.5
280.06094	1.0
294.07813	2.3
308.05679	100.0
322.07257	1.0
323.04120	1.1
323.08029	51.4
338.10379	99.0
442.17499	0.7
481.94904	0.6
500.15662	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66714	1.3
54.12524	1.2
59.01383	3.0
64.18600	1.5
84.04544	3.5
85.02970	3.0
92.23146	1.8
100.04038	24.5
101.02419	1.9
102.05606	31.7
122.97976	1.7
128.03528	87.4
129.10379	1.9
130.08743	12.1
140.07204	2.5
146.04596	31.2
152.10866	2.6
155.08270	11.9
170.11804	2.5
171.15002	6.5
190.17422	1.6
196.09799	15.6
197.13029	2.2
207.15146	2.5
215.14055	8.9
225.16069	3.4
265.19159	3.2
308.05655	26.7
323.08121	8.5
327.19287	9.6
338.10403	24.0
412.24597	1.8
456.23605	31.4
500.22614	100.0
500.30060	3.2
520.94427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2508
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
59.01380	5.0
62.96284	0.4
64.73209	0.4
68.01064	0.4
70.30492	0.4
71.01390	2.1
79.07299	0.4
89.02425	2.3
90.70494	0.4
101.02423	2.5
105.44908	0.4
113.02450	1.0
128.10789	3.0
130.08728	100.0
148.39590	0.5
172.09770	4.5
192.70844	0.5
206.22878	0.5
262.54861	0.5
268.59235	0.5
326.83759	0.5
500.25046	66.2
517.61365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70720	1.4
61.98835	100.0
76.49925	1.9
76.70242	2.2
85.08887	1.7
114.99820	1.6
153.87491	1.7
165.54552	1.7
234.83719	1.7
266.53180	1.8
290.18381	1.8
307.01700	2.2
324.20825	3.0
378.25784	3.0
393.28052	18.2
422.40250	2.6
437.27014	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79954	1.4
59.01371	4.0
69.30167	1.4
78.01362	1.4
78.95900	19.6
80.08224	1.6
104.41904	1.6
123.35788	1.5
127.90377	1.5
140.01183	8.9
152.99594	6.8
196.03764	13.1
214.04884	8.0
259.24185	3.4
303.23325	94.0
309.03186	1.6
313.94720	1.7
367.39514	1.9
390.96060	1.7
500.27933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2789
Annotation	Glycerophospho-N-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
56.87416	0.5
59.01398	0.5
61.98818	0.6
78.95904	100.0
81.02590	0.6
96.96951	8.8
112.84303	0.7
125.09702	5.8
126.10007	2.4
134.78783	0.6
152.99597	28.6
171.00647	34.5
187.09714	5.2
188.10046	2.8
214.04878	0.7
340.11142	0.7
426.24112	1.1
500.27695	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48556	0.9
59.01373	8.1
73.14460	1.1
78.95904	22.6
89.72298	1.4
140.01190	11.7
140.70479	1.3
152.99643	2.2
164.07751	1.2
164.16730	1.1
183.91418	1.2
196.03789	19.2
205.19588	1.4
214.04973	1.3
226.85696	1.2
259.24347	5.5
303.23328	60.2
312.99863	1.2
393.50336	1.3
418.70865	1.2
500.27884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2789
Annotation	Glycerophospho-N-Arachidonoyl Ethanolamine
Peak:m/z	Relative Intensity
58.55453	0.7
59.28481	0.6
59.88606	0.6
78.95901	100.0
83.13160	0.7
96.96959	7.3
98.64727	0.7
125.09709	7.0
126.10043	3.6
129.48282	0.6
152.99576	22.8
170.94797	0.7
171.00644	41.1
187.09778	8.3
188.10074	3.1
268.03375	0.8
292.35767	0.7
391.08331	0.8
426.23972	1.3
500.27750	78.3
500.33377	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36954	0.6
59.01383	41.4
71.18849	0.5
87.38710	0.6
99.40055	0.6
119.74385	0.7
157.03551	3.1
173.93280	0.6
174.99243	19.8
179.05315	0.7
195.43993	0.8
201.02577	46.0
217.00311	100.0
343.03741	2.7
359.01526	82.2
501.02533	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22852	0.7
56.18409	0.8
59.01371	1.6
62.65127	0.7
71.01357	1.4
85.02956	1.8
87.00879	1.8
93.03452	27.3
96.99307	4.3
111.04504	1.5
113.02430	3.6
119.05028	9.2
126.64127	0.9
133.02980	1.4
143.05011	15.4
145.02950	1.9
155.03491	1.2
159.04393	1.1
163.04019	13.5
171.04437	1.2
173.04538	16.2
191.05632	43.5
205.05020	1.6
210.20306	1.0
211.07663	7.6
223.05931	1.5
235.07707	0.9
237.09247	8.2
239.10739	1.5
260.76773	0.8
265.08823	29.1
283.09756	3.5
309.07700	8.2
327.08780	100.0
394.78806	0.9
415.10410	1.1
501.14185	22.5
503.33090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63452	0.8
52.21711	0.9
54.19054	0.8
56.85473	0.9
59.01136	1.3
59.01383	17.9
71.01375	9.0
73.02944	1.3
83.01371	1.3
83.17606	1.1
85.02935	2.6
87.00881	1.5
89.02428	2.1
93.03455	13.8
101.02423	6.1
111.04502	5.7
113.02440	6.0
114.99364	1.1
117.03461	12.2
119.04967	8.8
134.03722	1.5
137.02438	2.3
140.31691	1.2
145.02950	100.0
149.06134	1.2
155.03543	1.6
160.01660	5.6
161.04526	1.3
163.04007	6.5
171.10320	1.4
173.04529	18.0
175.04005	17.8
183.14009	1.3
187.04073	5.0
191.05653	7.8
191.07129	1.8
193.05058	8.7
197.11946	1.5
201.11314	1.4
211.13380	1.9
228.68513	1.1
235.06165	5.0
243.12485	1.1
295.08514	1.2
327.21738	2.1
337.09137	9.6
345.22385	2.1
501.14273	33.1
501.26456	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75850	0.9
106.96137	0.9
107.92977	1.1
111.00887	1.4
115.00419	1.0
115.48244	1.0
125.44294	1.0
145.69759	1.0
155.10696	1.1
158.51880	1.0
176.01160	1.5
210.33342	1.0
225.05600	12.7
253.05092	25.0
254.05907	10.5
282.05368	55.1
297.07703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.7
71.01373	5.0
72.99348	1.2
73.02954	1.4
79.13416	1.4
85.02938	2.9
87.00885	1.8
89.02438	2.4
93.03439	3.0
94.18369	1.5
101.02412	2.7
111.04497	2.3
113.02409	1.7
119.05027	100.0
127.04002	2.0
133.03001	2.9
134.03723	2.2
135.04498	6.4
143.03482	1.4
145.02924	1.4
149.06062	2.3
149.84552	1.3
155.03520	2.1
160.01665	21.8
161.02443	36.5
161.04497	1.5
163.04012	63.9
163.05325	2.8
165.04028	2.4
171.10258	6.1
173.04520	2.2
175.04012	43.4
177.05562	16.2
179.03490	5.9
182.95018	1.2
193.05072	8.2
197.09630	1.6
211.13403	5.8
217.03442	2.0
221.04468	1.7
226.36479	1.3
229.14543	2.1
241.04683	1.6
323.07883	11.9
327.21823	12.7
337.09317	26.4
363.31982	1.4
429.53268	1.4
457.17151	2.2
501.14084	73.3
501.27438	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46453	0.6
51.96036	0.6
59.01376	1.7
69.13570	0.6
69.76083	0.7
71.01383	1.6
85.02952	6.3
87.00857	1.3
89.02440	0.7
93.03456	10.8
96.99271	0.9
101.02396	0.9
108.91524	0.7
115.00359	0.8
115.04031	0.7
119.05029	9.6
127.03993	3.2
133.02966	1.1
143.05049	8.2
163.04008	18.3
164.04677	0.9
169.88931	0.7
173.04562	7.5
179.07190	0.8
191.05626	100.0
205.05157	1.0
211.07727	2.8
221.08211	1.1
223.06087	1.6
237.09201	3.9
239.10724	1.2
250.04971	1.1
265.08908	16.2
283.09766	1.4
309.07751	3.7
327.08765	53.4
501.15121	8.8
517.03540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.5
79.95986	1.5
85.02937	2.7
92.23105	2.0
93.03441	12.1
111.04520	6.4
113.02438	2.8
119.05005	24.8
135.03014	1.6
137.02429	2.0
145.03004	2.3
155.03490	5.9
163.04004	31.9
167.13614	1.6
173.04561	60.3
191.05591	11.6
237.09190	10.8
239.10741	10.2
265.08777	1.6
283.09769	38.3
309.07227	1.9
326.39648	1.7
327.08792	100.0
501.13876	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15332	0.6
59.01374	0.9
59.66148	0.7
61.03445	0.7
64.57796	0.6
71.01361	0.7
85.02960	0.8
93.03450	19.0
96.99302	4.0
111.04488	1.0
113.02322	0.7
119.05016	7.8
131.04985	1.6
133.02927	3.2
143.05026	13.5
145.02946	3.1
152.37309	0.9
155.03474	1.1
161.13026	0.8
163.04013	12.2
171.04373	1.0
173.04533	14.2
191.05638	10.6
211.07640	5.0
218.25720	0.9
219.88179	0.8
221.09740	1.2
235.07584	1.2
237.09274	6.9
239.10757	1.1
265.08719	24.8
279.12390	4.2
283.09790	3.0
309.07608	6.6
327.08780	100.0
434.17221	0.9
501.13837	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59082	0.7
52.18755	0.8
53.17625	0.8
59.01379	1.9
62.63795	0.8
70.44498	0.8
71.01374	1.7
74.28848	0.8
74.79803	0.8
75.27235	0.7
83.05013	0.8
85.02953	6.2
87.00882	3.9
93.03454	18.7
96.99308	2.0
111.04543	1.1
113.02454	1.2
114.93403	1.6
115.04003	6.1
119.05012	7.0
127.03988	1.1
133.02921	1.0
143.05025	8.3
145.03012	1.4
149.03050	0.9
163.04025	13.8
171.04420	0.9
173.04585	6.7
190.44481	0.9
191.05629	100.0
211.07619	6.2
219.96620	0.8
221.09727	1.1
229.61917	0.9
236.39664	0.9
237.09230	5.9
265.08713	20.8
283.09720	3.7
309.07825	6.5
327.08780	63.1
334.94897	0.9
427.24850	1.1
490.01227	1.2
501.14096	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64288	1.3
59.01384	16.5
69.44464	1.2
71.01373	10.7
85.02960	2.7
89.02436	15.2
97.02914	1.7
97.70827	1.2
101.02413	10.0
102.04502	1.3
113.02462	3.1
115.03970	2.7
119.03481	5.1
126.65517	1.4
137.93086	1.3
147.04495	1.4
147.38699	1.2
149.02438	9.3
164.04814	30.6
165.05534	2.2
176.01099	2.8
178.06311	1.9
179.07141	8.0
188.04854	5.0
190.02780	13.9
191.03494	18.6
199.32922	1.4
204.04294	1.6
205.05086	38.4
206.05838	34.1
207.02907	2.2
207.06544	1.3
208.03793	7.1
221.08186	46.3
223.06120	68.8
237.07660	16.9
242.93246	1.4
250.04805	12.7
265.07178	82.4
265.10037	2.8
295.08081	9.4
295.10458	10.8
295.20300	1.2
325.09323	16.7
385.11435	7.6
437.40149	1.7
483.14957	2.6
501.16180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30824	2.0
54.79740	2.4
55.92286	2.5
59.01385	17.7
71.01381	5.2
85.02949	50.9
89.02444	10.0
93.03445	5.2
101.02440	6.1
103.87869	2.7
113.02434	5.9
119.04999	26.0
120.03148	2.5
124.98991	2.2
149.02429	12.7
163.04047	21.5
164.04811	42.4
173.04581	29.6
179.05739	2.7
179.07166	15.5
190.02747	57.5
191.03867	3.3
191.05592	29.2
205.05095	96.4
206.05850	26.5
207.02933	3.8
208.03780	5.9
209.32391	3.0
221.08203	33.3
222.05392	2.9
223.06143	71.1
237.07732	13.0
239.10867	4.1
250.04883	4.6
265.07162	100.0
283.09778	15.2
289.52567	2.9
295.08191	35.3
325.09348	49.3
327.08740	51.7
353.09555	3.1
354.53873	2.8
385.11502	38.4
427.12488	15.3
501.14871	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1625
Annotation	Wahlenoside A
Peak:m/z	Relative Intensity
51.55684	4.6
59.01384	95.2
61.33963	4.2
64.95100	4.0
69.03453	5.5
71.01369	41.7
73.02940	35.6
75.00885	4.8
85.02966	9.4
89.02434	47.0
94.05298	5.6
99.00883	100.0
101.02438	33.6
106.24818	4.7
113.02453	21.8
115.04032	4.9
119.03481	11.1
119.73016	5.3
121.48862	4.9
125.48601	5.1
131.03497	6.9
131.07068	7.1
149.04573	20.8
151.06364	5.1
154.61574	5.0
163.04016	4.9
173.04575	20.8
191.05664	46.1
309.06128	6.2
339.10745	8.7
457.17068	83.0
501.15884	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37225	0.7
56.07097	0.7
59.01099	1.3
59.01381	19.3
70.72445	0.8
71.01377	10.0
82.37661	1.1
85.02943	2.2
89.02438	10.7
101.02443	8.2
113.02437	6.7
115.03999	1.9
119.03482	5.9
131.26865	1.0
131.32608	1.1
139.44615	1.0
147.04460	4.1
149.02422	8.5
163.03996	1.0
164.04808	33.1
165.05591	1.7
166.02647	1.3
176.01190	8.3
179.07101	10.2
188.04854	1.3
190.02715	17.7
191.03523	18.7
191.05220	1.7
193.08794	1.6
203.07196	1.6
205.05060	34.4
205.06819	1.9
206.05862	32.1
207.02992	2.1
207.06537	1.1
208.03816	8.2
209.04465	1.3
221.08208	47.5
222.05293	4.7
223.06131	65.6
237.07683	18.4
247.06229	1.3
250.04840	17.5
265.07193	77.7
295.07764	4.5
295.10773	17.3
325.09290	14.2
385.11472	8.6
483.15265	4.8
501.16193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1773
Annotation	abacopterin A
Peak:m/z	Relative Intensity
52.32352	1.3
54.30348	1.3
54.50773	1.3
59.01382	100.0
64.49617	1.5
65.09132	1.4
67.39034	1.3
68.53262	2.0
71.01378	56.2
73.02946	1.6
83.34832	1.7
85.02940	6.7
87.00846	2.7
89.01882	2.5
89.02438	75.2
95.01422	2.6
101.02430	26.1
101.64663	1.7
113.02443	19.8
119.03493	22.5
143.03523	8.3
161.04520	6.6
179.05586	26.3
184.40053	1.8
381.13303	2.0
501.17480	40.8
501.23618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1776
Annotation	abacopterin A
Peak:m/z	Relative Intensity
59.01384	100.0
67.01899	1.6
71.01381	49.9
71.01784	1.8
72.99289	1.5
80.73221	1.1
82.91833	1.2
85.02950	12.4
87.00867	10.1
89.01875	2.6
89.02441	77.7
95.01375	5.3
95.79183	1.1
100.45184	1.2
101.02441	30.6
111.00876	67.1
113.02454	25.2
119.03495	26.0
129.02022	1.5
131.03519	2.6
143.03510	4.5
149.04480	1.3
161.04562	6.6
173.00908	5.4
179.05603	27.4
191.05624	19.9
196.00813	1.2
197.11827	2.5
211.90091	1.2
291.19849	1.6
324.10117	1.4
327.21851	7.9
339.12317	2.3
381.13605	2.4
406.49500	1.6
422.73474	1.4
501.17465	43.3
501.23938	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50825	1.7
57.63918	2.0
58.00596	2.0
59.01105	4.7
59.01385	100.0
67.87597	2.0
71.01382	51.9
73.02966	2.6
85.02924	7.8
86.27097	2.0
88.98814	9.2
89.02445	88.1
101.02435	29.7
113.02441	25.6
119.03485	24.3
137.96056	2.3
143.03455	2.6
149.04597	2.4
152.95950	2.1
161.04561	3.2
179.05615	25.0
193.07259	2.5
339.12354	3.0
501.17642	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45256	0.8
59.01379	15.5
65.75362	0.7
71.01378	8.2
84.65434	0.7
85.02960	1.2
89.02437	9.2
96.96008	0.8
101.02448	7.4
113.02435	4.5
119.03522	1.7
120.99647	63.7
169.16655	0.8
202.10086	0.9
217.12343	26.6
221.08173	0.9
223.06210	1.6
225.45384	0.8
233.10112	1.7
265.06979	1.1
278.40253	0.8
309.06067	4.1
324.08179	1.0
339.10681	3.7
413.16486	13.3
490.03687	0.8
501.18048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90417	0.5
51.58084	0.6
68.99571	59.2
71.83877	0.7
97.95976	0.7
112.98560	100.0
114.90680	0.6
147.72731	0.9
167.05064	0.7
190.02710	0.8
211.43059	0.7
237.39528	0.8
255.30795	0.7
402.91037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96407	0.5
61.90520	0.8
67.28495	0.5
68.99569	58.9
78.14260	0.6
112.98561	100.0
116.36697	0.7
190.02734	0.9
205.05052	1.0
216.05359	0.7
441.14105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01805	0.3
59.01389	2.9
67.01400	0.4
70.88924	0.3
71.01373	0.5
73.02949	2.7
75.34387	0.4
83.01389	1.7
85.02959	1.8
87.00882	0.4
87.04489	0.5
92.03104	0.4
99.37687	0.4
101.02451	2.0
106.64928	0.4
111.04504	1.9
113.02443	100.0
128.89441	0.5
139.11284	2.3
151.11320	0.5
169.12373	0.6
173.04562	0.6
179.10799	0.5
181.12366	1.6
183.10266	4.1
197.11858	0.6
218.91187	0.4
225.11391	4.2
243.12317	3.0
258.89606	0.5
291.12369	0.7
301.95511	0.4
327.14349	1.5
345.22498	0.6
361.36066	0.4
381.87045	0.4
387.16660	14.0
501.19968	9.0
501.26291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81043	1.5
64.57695	1.4
71.01378	36.2
77.66914	1.4
77.89147	1.6
82.10468	1.5
92.87502	1.7
97.02946	3.6
105.94418	1.7
115.00367	100.0
115.04011	30.8
127.46407	1.7
155.87190	1.5
165.80258	1.5
205.05067	2.2
358.95340	1.9
459.67563	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
66.44393	0.8
73.82365	0.7
78.95905	14.2
95.14658	1.1
97.57954	0.9
149.00092	2.3
152.98473	1.4
152.99593	24.6
166.42740	1.0
171.00752	1.3
198.88815	0.9
201.91588	1.3
223.03818	5.0
277.21741	100.0
464.26181	1.0
501.26291	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69738	0.5
57.03426	0.6
57.18015	0.7
59.01391	2.3
69.04275	0.5
71.01375	0.9
75.00867	3.9
85.02934	1.0
91.76515	0.5
96.96001	0.7
99.00891	2.6
100.88570	0.6
107.08959	0.5
111.58195	0.6
129.01920	0.9
147.03003	7.4
248.15448	0.6
255.23314	100.0
279.23145	1.2
348.41672	0.6
355.26016	0.8
455.00876	0.6
501.30707	28.6
501.37592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.8
59.01382	12.0
61.60604	2.1
61.98852	2.1
71.01379	11.1
73.02945	14.6
77.07613	1.9
90.20885	2.0
92.22659	9.6
92.23193	3.3
95.97173	2.1
113.02434	7.7
115.96679	2.2
125.06004	2.1
155.14397	2.1
157.53676	2.2
248.34019	2.1
263.23862	3.4
275.23795	2.5
279.23309	100.0
293.24905	40.8
303.23532	3.1
321.24319	27.0
331.16891	2.0
338.28168	2.1
480.75714	2.2
501.22949	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18259	2.2
51.98809	2.1
58.00603	2.8
59.01384	34.2
61.98824	5.8
65.65874	2.4
67.47212	2.3
71.01373	5.8
73.02938	19.9
73.10889	2.4
75.27947	2.3
85.02940	3.3
89.02431	3.1
94.50670	2.4
101.02430	2.3
112.07988	2.3
113.02432	9.0
125.06075	4.5
125.44180	2.0
218.97774	2.5
231.56390	2.5
263.23859	3.8
265.25256	4.4
275.23874	12.2
279.23322	100.0
293.24872	54.4
303.23233	9.3
321.24411	38.9
351.25549	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00753	2.6
54.19776	2.4
57.91683	2.9
59.01383	59.6
67.47624	3.0
71.01385	22.7
76.77534	3.0
85.02953	21.8
89.02441	6.2
95.01369	12.6
101.02451	16.8
113.02450	63.5
119.03495	5.6
128.02231	3.6
143.03540	3.7
161.04547	16.4
194.76808	3.6
199.17049	19.6
207.22690	3.2
221.39015	3.2
263.23996	3.9
279.23315	100.0
288.97021	2.9
293.24866	19.2
297.58899	3.4
321.24408	38.1
333.24481	3.8
351.25247	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
52.86134	0.5
54.24313	0.4
54.66736	0.4
59.87740	0.5
64.72363	0.5
88.70680	0.6
130.04604	0.5
136.10292	0.5
212.09302	1.1
225.62392	0.5
356.89273	0.6
453.30133	100.0
457.25867	2.1
471.31265	3.5
501.25687	4.0
501.32236	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24641	0.5
59.01380	2.8
63.95704	0.5
64.03414	0.5
69.44054	0.6
71.01376	1.5
82.05962	0.6
85.02901	0.7
89.02424	0.9
101.02421	1.1
104.27290	0.8
113.02474	1.1
186.96175	0.7
255.23325	100.0
263.11343	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91626	0.3
55.53204	0.4
60.14088	0.4
71.10254	0.3
71.72282	0.4
96.73705	0.4
123.00906	0.5
160.04034	1.7
188.03622	0.8
188.27109	0.4
189.32407	0.5
238.05121	0.6
266.04611	2.3
271.41708	0.5
282.04193	4.3
294.04193	1.8
296.05719	5.4
297.06287	3.3
308.05756	1.7
310.03616	57.7
324.05225	0.8
325.05908	8.5
340.08292	100.0
430.84995	0.5
502.13644	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.09986	0.6
149.96303	0.8
296.72437	0.8
316.07971	0.7
363.26096	0.8
391.50983	0.8
501.99753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62586	0.7
61.98837	1.9
66.40490	0.6
66.70900	0.8
67.49366	0.6
67.49759	0.7
93.23315	0.7
117.94779	0.8
129.40234	1.0
133.71021	0.9
160.04048	39.4
227.58321	0.8
251.46387	0.8
263.05899	1.8
266.04596	3.9
293.03311	3.7
294.04102	14.8
307.04962	6.2
308.05698	19.5
309.02679	0.9
310.03455	9.0
310.06396	0.7
324.05222	4.6
325.05920	9.6
340.08282	100.0
502.13663	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35139	0.2
59.01382	0.3
74.32909	0.2
111.00864	3.0
112.01255	0.3
123.00906	0.5
148.66406	0.2
160.04066	1.5
164.47701	0.3
172.04042	1.0
188.03467	0.5
194.25134	0.3
228.06580	0.5
238.05038	0.4
266.04614	2.2
279.38968	0.3
281.03500	1.0
282.04004	4.4
293.03384	0.3
294.04077	2.1
296.05676	6.7
297.06491	3.0
308.05646	2.0
309.05228	0.4
310.03589	63.9
324.05139	1.2
325.05872	8.8
340.08270	100.0
502.13583	16.4
502.24399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02699	0.4
57.06289	0.3
65.05792	0.4
73.41143	0.4
85.84886	0.4
94.73372	0.4
107.05029	1.0
112.75889	0.4
123.04482	0.8
135.04526	23.5
148.40802	0.5
154.16280	0.4
162.03214	1.9
267.06747	0.7
282.05472	3.3
296.07025	0.6
297.07751	0.8
309.07727	0.9
312.12473	2.5
322.10785	3.8
340.11929	100.0
364.95697	0.5
367.84250	0.5
373.99719	0.4
422.45251	0.5
502.17261	23.3
508.71741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72211	0.7
63.79728	0.7
73.48516	0.7
75.44924	0.7
83.64508	0.8
91.25468	0.8
107.05047	1.2
123.04548	0.9
135.04532	22.3
143.97168	0.7
159.47867	0.6
282.05301	3.2
299.75296	0.8
306.18860	0.8
309.07663	0.9
312.12482	3.9
322.10901	3.3
340.11929	100.0
363.02600	0.7
502.17230	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80969	0.3
86.39857	0.4
87.78812	0.3
107.05016	1.3
115.22293	0.3
118.78687	0.4
123.04533	1.5
135.04524	22.7
160.13029	0.3
161.02446	0.5
162.03215	1.8
178.08844	0.3
268.67972	0.3
279.06821	0.4
282.05319	3.8
296.06912	0.7
297.07645	1.3
309.07721	1.6
312.08948	0.3
312.12354	2.8
322.10934	4.1
329.22278	0.4
331.74747	0.4
340.11935	100.0
351.79333	0.4
502.17264	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57977	0.3
59.01992	0.3
63.73235	0.4
66.24859	0.5
70.95392	0.3
107.01444	0.5
107.05031	0.8
123.04530	1.4
135.04521	22.8
157.15146	0.4
162.03191	1.5
251.07382	0.6
267.06549	0.6
282.05280	2.9
297.07617	0.9
309.07730	0.8
312.12427	2.5
322.10980	2.9
340.11929	100.0
340.92169	0.5
373.89627	0.5
386.33368	0.4
502.17221	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64845	0.3
70.37059	0.4
71.34450	0.4
77.22454	0.3
81.74049	0.4
83.69678	0.4
102.22388	0.4
107.05018	1.7
123.04507	1.5
127.20550	0.4
135.04526	24.1
161.02324	0.6
162.03218	1.4
236.94345	0.4
282.05325	3.1
296.06903	0.5
297.07681	0.7
309.07635	0.5
312.12448	2.6
322.10983	2.9
340.11929	100.0
496.35919	0.4
502.17261	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91782	0.3
62.33557	0.3
66.59063	0.3
107.05037	0.7
123.04509	1.4
135.04521	21.6
154.80069	0.3
161.02466	0.6
162.03242	2.1
170.57460	0.4
253.05104	0.4
267.06802	0.4
281.04489	0.4
282.05338	3.8
296.06976	0.8
297.07782	1.7
306.07507	0.5
309.07755	0.6
312.12512	3.1
322.10876	3.6
340.11911	100.0
502.17233	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09049	0.3
52.17477	0.3
56.32141	0.3
60.61572	0.4
61.19359	0.3
72.60344	0.4
77.15304	0.3
79.58702	0.3
81.43373	0.4
82.44160	0.3
94.31947	0.4
107.05029	0.7
123.04521	1.3
123.50635	0.4
124.73880	0.3
135.03494	0.8
135.04529	24.3
148.43478	0.4
161.02451	0.5
162.03249	1.6
279.06674	0.5
282.05359	3.3
296.06909	0.9
297.07639	0.8
309.07690	0.6
312.12384	2.9
319.44083	0.4
322.10938	2.5
340.11942	100.0
383.44907	0.4
502.17297	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1726
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
56.34176	0.4
106.04259	1.7
135.04530	0.4
143.04640	0.7
164.07237	0.8
171.61794	0.4
176.07240	0.5
191.05656	1.6
192.06703	7.7
204.06714	0.7
204.31064	0.4
275.90759	0.5
297.07697	0.6
298.14545	2.6
304.15201	0.4
306.07800	0.6
340.11932	100.0
446.13174	0.4
502.17261	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95210	1.2
54.42132	1.3
62.30246	1.4
72.23653	1.7
76.08835	1.6
79.22478	1.7
81.86150	1.7
102.05604	3.5
124.87233	1.7
133.01410	6.7
194.88786	1.8
222.15848	1.8
253.67104	2.1
340.11932	100.0
416.30936	2.2
502.17181	29.2
504.38968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.173
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
53.25451	0.4
54.44543	0.5
59.01384	0.5
63.42760	0.4
67.70446	0.4
70.07628	0.4
82.21185	0.5
89.45428	0.5
101.02424	0.5
101.87635	0.5
118.03047	0.5
123.26063	0.5
130.08736	3.3
136.67554	0.5
146.97116	0.6
150.48178	0.6
160.03975	0.5
161.04538	0.6
162.05594	27.3
164.07054	0.6
167.04868	0.5
194.86656	0.5
252.33122	0.5
293.07040	0.5
294.07755	0.9
310.07584	0.7
324.05157	2.0
324.08899	0.9
325.06174	0.8
325.09515	5.4
340.11920	100.0
502.17203	10.0
502.26535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46603	1.6
59.66059	1.4
61.98833	13.3
62.10465	1.5
78.91900	1.7
88.04025	3.6
111.02230	2.0
119.17794	1.5
163.11284	29.9
176.12117	2.5
208.11099	7.2
299.70374	2.0
305.22046	1.8
337.21793	100.0
338.22342	12.3
370.21475	28.0
502.26791	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74482	0.4
54.77486	0.4
61.98833	100.0
77.53542	0.5
78.87983	0.5
107.98957	0.5
141.97815	0.5
146.68015	0.5
230.80777	0.5
299.41855	0.5
458.10025	0.6
461.82956	0.6
514.29285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35595	1.0
60.04634	1.1
61.98830	100.0
63.28854	0.9
66.29648	0.9
83.89860	0.9
157.44847	1.3
172.34250	1.0
214.68356	1.0
219.56526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.295
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
53.49727	1.3
58.63061	1.0
59.01362	1.2
63.33294	1.2
67.15174	0.9
72.44365	1.0
78.14049	1.0
78.95900	19.2
82.07354	1.3
83.52662	1.1
90.99173	1.1
96.96020	1.7
104.56870	1.0
105.35501	1.0
106.34177	1.2
152.99582	6.5
168.04329	5.6
224.06950	11.0
242.08081	2.2
262.91391	1.5
277.21747	100.0
284.28613	1.3
400.07642	1.4
502.29507	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00886	1.0
56.20090	0.9
58.57195	0.9
59.01388	1.7
61.98849	1.4
63.63846	1.1
67.44279	1.1
72.19128	1.1
75.28555	1.3
78.95900	20.1
80.81350	1.1
106.16219	1.2
106.96337	1.5
119.50724	1.1
122.00225	1.3
137.60446	1.2
140.01210	11.1
147.28883	1.3
152.99585	5.6
175.07344	1.1
185.43047	1.2
190.67654	1.1
196.03838	17.4
196.74846	1.2
212.70123	1.2
214.04875	2.8
248.97192	1.1
305.24902	99.6
372.71286	1.1
502.29477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2949
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
54.11314	0.6
60.13925	0.7
75.34882	0.7
78.95903	100.0
85.84196	0.9
85.89919	0.7
93.17437	0.7
96.96955	8.7
102.34772	0.7
152.99602	25.3
171.00647	35.0
261.31903	0.8
350.55911	0.8
428.25757	1.7
428.42056	0.8
449.16589	0.8
502.29538	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11314	0.6
60.13925	0.7
75.34882	0.7
78.95903	100.0
85.84196	0.9
85.89919	0.7
93.17437	0.7
96.96955	8.7
102.34772	0.7
152.99602	25.3
171.00647	35.0
261.31903	0.8
350.55911	0.8
428.25757	1.7
428.42056	0.8
449.16589	0.8
502.29538	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13428	1.1
54.56971	1.0
61.56736	1.2
61.98829	2.0
62.13866	1.1
62.48056	1.1
73.02941	17.0
91.41344	1.6
96.08187	2.1
98.06122	24.6
99.00854	2.5
99.04528	1.5
109.94070	1.2
124.07651	8.8
126.10002	1.6
140.07166	2.9
142.05092	23.9
142.08693	1.7
154.08740	2.6
156.06682	6.0
168.06653	27.9
186.07721	77.4
198.07788	1.8
223.20555	2.1
235.20543	1.9
253.21857	1.7
302.28403	2.1
329.38437	1.8
335.27032	1.6
392.27979	2.2
408.53873	1.5
440.30304	6.3
484.29224	100.0
502.30237	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67395	3.1
53.71329	2.8
53.74540	3.0
61.36560	3.5
73.54495	3.6
83.42414	3.6
125.24945	4.4
134.06102	16.1
136.07695	60.5
147.03340	5.2
150.39949	3.4
162.05609	87.2
502.35532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07347	0.2
59.01371	1.7
60.01752	0.2
68.99575	2.0
70.31164	0.2
71.01366	0.5
71.05044	0.4
72.99272	0.3
93.34725	0.3
95.95208	0.3
95.97630	0.3
96.87415	0.3
96.95375	0.7
96.96002	20.8
101.02441	0.3
101.32539	0.2
108.73517	0.3
112.98553	2.9
119.61603	0.3
136.32437	0.3
146.08229	3.4
181.01767	6.4
183.10226	0.3
185.11942	0.3
226.03925	100.0
254.41125	0.3
345.15683	1.4
360.19992	0.3
362.49561	0.3
503.10187	7.0
503.24942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
68.99566	1.7
71.01374	2.6
72.92197	0.3
73.02958	0.6
78.46105	0.4
85.02956	0.5
89.02438	1.5
96.96004	19.2
101.02438	0.6
112.98537	2.3
113.02415	0.7
115.04006	0.6
116.92827	0.6
118.07458	0.4
123.33426	0.4
146.08211	4.6
149.06012	0.7
151.06155	1.5
165.09239	0.7
181.01753	6.6
183.22266	0.4
190.02660	0.4
206.05766	1.9
207.06647	8.3
221.08252	3.1
226.03922	100.0
249.07686	0.5
295.10349	2.6
345.15726	0.6
503.10233	6.7
503.17764	2.6
503.24472	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
75.49299	0.3
78.95901	34.4
96.96954	100.0
97.23209	0.4
129.37686	0.4
130.30688	0.4
167.03500	0.7
318.84851	0.4
503.12177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63898	0.4
58.07857	0.5
59.01383	6.7
71.01390	4.5
72.99336	1.7
73.02944	1.1
83.01385	0.6
85.02961	4.6
87.00847	1.0
89.02444	7.8
93.03464	0.8
96.71057	0.6
101.02454	4.3
111.04503	1.1
113.02470	1.2
127.03983	2.2
131.03520	2.6
134.03751	2.0
136.01669	36.8
137.02451	41.8
144.12503	0.5
149.04605	5.8
149.05986	4.3
155.03551	0.8
163.93990	0.5
170.94560	0.6
173.04619	3.6
191.05638	100.0
193.05058	1.0
220.07964	0.6
245.59962	0.6
285.07736	35.0
308.05582	0.6
309.06021	3.2
310.06256	2.3
311.06479	3.7
324.08353	0.8
325.08728	0.8
326.09012	1.0
329.06723	15.7
339.10739	2.7
340.10965	2.0
341.11221	3.8
447.11615	0.6
503.11447	4.0
503.25162	2.9
505.92288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
71.01373	1.9
73.02962	0.4
75.00871	6.8
77.38264	0.4
80.35878	0.3
85.02945	3.8
89.02426	2.1
93.03460	1.5
95.12122	0.4
101.02442	1.7
111.04492	0.6
113.02475	0.8
127.04015	0.9
136.01680	1.8
137.02431	1.5
173.04559	2.1
177.41219	0.4
191.05632	100.0
283.68314	0.4
285.07629	1.6
325.05734	1.8
326.06317	1.5
340.08218	0.6
341.08704	1.5
367.10400	0.8
443.19144	2.8
503.12723	7.0
503.20798	1.1
503.25610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38356	1.2
56.46876	1.0
59.01378	5.1
62.48096	1.1
68.37180	1.1
79.95741	17.3
89.02444	2.9
97.37005	1.2
113.02461	1.4
113.66399	1.2
119.03558	1.8
125.06059	3.0
133.46680	1.3
135.04517	36.9
139.94235	1.2
149.02782	37.6
149.06073	5.6
161.02435	36.3
176.88298	1.6
177.05577	23.5
179.03506	100.0
187.06113	2.6
191.05634	18.0
203.03554	5.8
221.04568	55.7
251.05634	15.2
281.06662	51.1
341.08762	34.9
353.08713	15.7
443.11996	42.2
503.14127	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.1
59.66715	0.8
71.00661	0.8
71.01375	12.3
73.02937	1.1
75.00860	15.7
85.02957	1.5
89.02438	14.8
99.00878	1.7
99.41655	1.0
101.02435	12.0
113.02433	6.4
116.92860	11.2
119.03491	8.5
120.86430	0.9
135.02945	1.6
149.02405	1.8
149.04607	0.9
152.11395	1.1
164.04747	12.6
176.01135	1.8
179.05568	3.6
179.07024	2.1
188.04727	1.4
190.02750	2.2
191.03526	9.7
205.05080	14.5
206.05923	10.7
207.06621	1.2
208.03751	3.5
209.04649	1.6
221.08223	17.9
223.06119	26.0
237.07738	7.7
250.04756	4.7
265.07193	26.4
295.08234	1.4
297.08270	22.0
414.09717	1.3
433.60376	1.3
503.14133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28951	0.8
58.94003	0.9
59.01380	20.2
60.63799	1.0
71.01375	10.3
75.00874	16.6
85.02927	1.5
87.00872	2.1
89.02446	15.9
97.02939	1.7
99.00866	2.0
101.02442	10.0
113.02415	5.8
115.03992	5.6
116.92799	1.1
119.03471	8.3
119.04984	1.0
135.03041	1.1
145.02953	4.2
149.02431	1.6
163.04099	1.6
164.04779	8.9
176.01210	2.2
179.07103	2.0
190.02695	4.5
191.03508	10.9
205.05057	15.4
206.05852	9.4
208.03749	1.8
221.08237	20.1
223.06142	25.6
237.07651	6.7
250.04886	5.0
257.10455	1.1
265.07214	29.5
295.08304	1.8
297.08276	22.9
325.09406	2.4
413.10480	1.2
503.14136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38356	1.2
56.46876	1.0
59.01378	5.1
62.48096	1.1
68.37180	1.1
79.95741	17.3
89.02444	2.9
97.37005	1.2
113.02461	1.4
113.66399	1.2
119.03558	1.8
125.06059	3.0
133.46680	1.3
135.04517	36.9
139.94235	1.2
149.02782	37.6
149.06073	5.6
161.02435	36.3
176.88298	1.6
177.05577	23.5
179.03506	100.0
187.06113	2.6
191.05634	18.0
203.03554	5.8
221.04568	55.7
251.05634	15.2
281.06662	51.1
341.08762	34.9
353.08713	15.7
443.11996	42.2
503.14127	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.7
60.58754	0.3
61.23664	0.4
61.92999	0.3
67.97202	0.4
71.01387	2.2
73.02946	0.4
79.95728	0.7
85.02947	0.4
96.96004	100.0
98.71716	0.4
101.02415	0.9
113.02433	0.9
123.01013	0.4
126.84955	0.4
153.01967	1.9
161.04581	4.0
166.93564	0.4
168.04291	9.1
168.05618	0.7
183.06642	6.7
247.66063	0.5
345.12003	2.7
436.03104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92952	8.6
59.01358	37.2
60.22923	10.9
71.01373	23.2
79.88958	11.5
82.82878	10.8
89.02441	52.4
92.23074	11.8
96.96005	100.0
101.02444	22.0
101.93250	10.5
113.02422	22.1
191.05634	75.1
455.51324	14.0
493.32370	11.9
503.16217	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1622
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
58.76705	0.7
59.01379	20.2
69.52605	0.7
71.01380	13.7
73.02935	1.3
81.83286	0.8
85.02965	5.4
87.00861	5.5
89.02445	25.5
89.85445	0.8
99.00891	1.2
101.02427	12.7
111.76961	1.0
113.02444	8.4
119.03499	5.2
127.03967	1.1
131.03490	1.2
139.55536	0.8
143.03526	2.0
161.04543	7.5
175.52289	1.0
176.79143	0.8
179.05605	7.3
183.83315	0.8
191.05637	100.0
221.06621	12.4
225.76730	1.0
323.09915	1.5
329.37424	1.0
408.82059	1.0
441.41522	0.9
503.16251	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92952	8.6
59.01358	37.2
60.22923	10.9
71.01373	23.2
79.88958	11.5
82.82878	10.8
89.02441	52.4
92.23074	11.8
96.96005	100.0
101.02444	22.0
101.93250	10.5
113.02422	22.1
191.05634	75.1
455.51324	14.0
493.32370	11.9
503.16217	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95075	1.2
51.40734	1.3
59.01381	9.4
64.99871	1.3
71.01385	7.6
73.02955	1.3
84.28111	1.3
87.00871	7.0
89.02438	6.2
91.13284	1.5
101.02447	2.5
104.07869	1.3
106.22438	1.6
113.02408	2.6
135.06622	2.6
149.02477	2.7
159.86539	1.7
164.04785	18.7
175.00197	2.3
190.02727	49.0
205.05072	82.5
221.08228	1.9
223.06096	24.3
253.69167	1.6
265.07224	3.6
290.68738	2.0
493.27136	1.7
503.17795	100.0
503.25305	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53910	2.0
59.01098	3.9
59.01380	77.3
62.20004	2.4
63.15466	1.9
71.01379	55.6
71.01742	4.2
80.84323	2.3
85.02946	5.7
87.00873	4.0
89.02436	70.3
89.02962	4.1
101.02439	27.4
102.80197	2.3
106.04228	2.9
113.02459	21.5
115.04000	5.4
119.03474	24.2
121.95004	2.5
131.03539	2.6
135.04524	10.9
143.03433	2.5
149.02449	3.9
161.02440	23.9
161.04547	4.0
175.96890	2.5
177.01920	100.0
179.03537	24.5
179.05602	30.5
181.10526	2.8
191.05452	2.9
192.04298	47.5
207.06630	12.6
210.05338	11.1
221.04501	5.2
225.07713	13.9
299.14807	2.7
341.08774	4.2
352.98798	2.7
362.92648	2.8
387.13116	42.1
405.13879	11.4
503.13831	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95075	1.2
51.40734	1.3
59.01381	9.4
64.99871	1.3
71.01385	7.6
73.02955	1.3
84.28111	1.3
87.00871	7.0
89.02438	6.2
91.13284	1.5
101.02447	2.5
104.07869	1.3
106.22438	1.6
113.02408	2.6
135.06622	2.6
149.02477	2.7
159.86539	1.7
164.04785	18.7
175.00197	2.3
190.02727	49.0
205.05072	82.5
221.08228	1.9
223.06096	24.3
253.69167	1.6
265.07224	3.6
290.68738	2.0
493.27136	1.7
503.17795	100.0
503.25305	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59399	0.6
59.01377	6.7
59.90034	0.6
67.27186	0.7
71.01392	3.5
89.02433	4.4
89.86703	0.8
101.02419	3.9
113.02437	3.3
115.55157	0.9
117.14316	0.7
119.03510	1.0
135.06618	3.6
149.02444	4.9
164.04790	22.5
175.00319	3.3
179.05618	1.1
179.07095	2.7
190.01012	1.5
190.02734	47.2
191.03494	1.4
205.05072	76.5
209.04599	1.1
221.08212	3.0
223.06157	20.4
225.11064	0.8
237.07986	0.9
265.07205	4.7
268.06525	0.8
305.39792	0.8
330.04886	0.8
413.10492	1.1
457.40283	1.0
462.50693	1.0
503.17792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36772	0.9
59.01382	100.0
60.13713	0.8
67.31382	1.0
71.01381	14.3
73.02949	4.9
85.02956	7.8
94.59301	1.0
96.10287	1.0
96.96012	2.1
99.00860	1.7
101.02449	11.1
113.02421	9.7
141.21356	1.1
153.01913	18.8
159.02997	1.7
160.14000	1.1
161.04544	31.3
168.04283	81.3
183.06628	48.7
345.11890	19.7
503.24847	1.4
504.36176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16975	0.4
51.63652	0.6
54.75976	0.5
56.36229	0.5
59.01383	2.5
68.99570	61.6
71.01418	0.6
80.73335	0.6
85.02914	0.6
92.23154	0.5
112.98557	100.0
117.48534	0.5
118.74131	0.6
151.18289	0.5
154.93729	0.5
192.04324	1.2
207.06609	1.0
232.12901	0.6
345.15524	1.2
347.00107	0.6
446.16812	0.6
513.21021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48658	1.0
59.01381	37.7
71.01380	10.8
73.02959	2.6
85.02953	1.7
85.32430	1.1
89.02443	12.1
97.02936	2.6
101.02431	9.5
113.02457	2.8
115.03992	21.7
119.03517	4.7
134.55666	1.2
158.11217	1.6
160.43050	1.4
163.11270	2.7
163.94139	1.7
181.12347	35.2
191.05670	1.7
225.11342	55.5
405.17719	19.3
441.44342	1.4
503.21402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16975	0.4
51.63652	0.6
54.75976	0.5
56.36229	0.5
59.01383	2.5
68.99570	61.6
71.01418	0.6
80.73335	0.6
85.02914	0.6
92.23154	0.5
112.98557	100.0
117.48534	0.5
118.74131	0.6
151.18289	0.5
154.93729	0.5
192.04324	1.2
207.06609	1.0
232.12901	0.6
345.15524	1.2
347.00107	0.6
446.16812	0.6
513.21021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84128	0.4
56.36104	0.5
70.27414	0.5
72.12097	0.5
85.48357	0.5
86.39801	0.5
137.09677	0.7
192.12822	0.6
193.17590	0.5
219.05081	2.1
231.45044	0.6
234.78575	0.6
278.15958	0.6
343.12079	0.8
345.10294	0.8
345.53351	0.6
419.12073	18.8
437.13162	3.7
485.20764	1.2
487.18353	18.4
503.21503	100.0
505.20065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.6
59.01384	100.0
59.01686	3.6
71.01380	54.2
72.40277	1.3
73.02970	1.6
77.25226	1.6
85.02948	7.2
89.02441	96.4
95.01344	2.5
99.92603	1.6
101.02441	36.1
113.02443	34.0
115.04021	1.9
116.92850	56.5
117.01914	1.8
118.48418	1.5
119.03502	28.9
132.27536	1.5
132.88901	1.8
143.03511	3.9
149.04533	2.2
161.04575	9.0
170.82144	1.7
175.03990	2.3
179.05614	67.1
191.05655	1.9
224.90154	1.6
233.15450	14.4
242.86559	1.6
393.02731	1.8
413.21854	20.9
414.58664	1.8
443.22626	2.7
467.22900	2.5
472.23151	2.0
503.17603	7.2
503.24796	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99603	0.4
54.73056	0.4
57.03465	1.8
58.05044	0.4
59.01390	2.5
61.87623	0.4
67.01898	2.1
68.75793	0.4
72.52676	0.4
85.02950	0.9
87.00873	11.9
111.00878	100.0
154.99828	0.6
171.10345	1.1
173.00928	8.9
176.04808	0.8
190.06360	1.0
191.05588	1.8
204.04236	0.8
225.35030	0.5
249.74977	0.5
255.49258	0.5
281.08218	26.8
329.23337	2.2
389.38181	0.5
443.12387	0.5
473.15857	0.7
503.17078	3.2
503.24933	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.9
61.98828	1.6
71.01371	14.1
73.02946	2.1
85.02942	6.1
87.00888	2.3
88.72212	1.3
89.02446	2.8
97.02946	1.7
99.00879	2.1
101.02441	8.3
102.01353	1.4
106.40240	1.3
113.02457	3.2
135.06339	1.6
182.83340	1.4
237.18559	1.7
245.87491	1.6
255.19704	37.4
272.32297	1.5
399.23660	10.3
417.24936	47.6
459.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.251
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01873	1.4
57.03441	1.3
59.01110	1.2
59.01385	27.3
59.61589	0.8
63.26350	0.9
63.35115	0.7
71.01379	40.9
72.99302	1.8
73.02940	18.4
83.01392	6.7
85.02943	21.4
87.00858	1.7
89.02434	14.9
95.01396	2.0
99.00865	5.1
101.02438	38.7
108.98817	1.0
113.02448	24.8
119.03497	1.9
125.02446	1.7
131.03503	3.7
133.18948	0.9
159.03011	3.8
161.04568	10.3
209.15503	6.2
242.53351	1.0
267.56635	1.3
291.94058	1.0
371.20779	62.5
381.69360	1.1
468.80698	1.0
503.25098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34053	1.2
51.12952	1.2
51.41318	0.9
52.99627	1.0
52.99884	1.1
55.61291	1.2
59.01386	24.9
63.25808	1.1
71.01378	23.4
73.02939	9.5
83.01377	3.1
85.02945	10.6
87.04430	1.1
89.02441	13.2
95.01434	1.6
99.00874	10.6
101.02445	28.9
110.49397	1.3
111.01635	1.2
113.02469	19.7
119.03468	3.1
139.07614	1.4
161.04530	7.7
191.05560	1.8
209.15469	2.4
231.81178	1.3
308.05695	10.0
309.06006	28.9
310.06152	23.0
311.06552	29.6
323.08060	2.8
324.08380	12.0
325.08560	13.6
326.08786	11.5
329.06671	2.3
338.10400	6.5
339.10678	20.0
340.11133	16.9
341.11481	27.5
371.20770	10.9
413.72354	1.6
429.18478	1.6
469.69235	1.6
503.17526	6.0
503.25092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
50.40851	0.7
50.83733	0.6
52.22240	0.6
55.01880	0.8
59.01148	0.8
59.01386	14.6
63.83779	0.6
63.85557	0.6
70.95573	0.7
71.01380	25.0
73.02941	10.7
75.00894	0.9
81.17365	0.6
83.01378	3.3
85.02945	14.3
89.02430	9.4
92.22485	1.0
92.77153	0.7
95.01389	3.0
95.95201	0.7
99.00866	6.9
101.01775	1.1
101.02444	30.3
113.02449	16.9
119.03478	3.2
159.02966	1.7
161.04562	7.4
201.63069	0.8
275.00974	0.7
353.19568	1.5
371.20688	5.0
407.32874	0.8
485.24072	1.5
503.25070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
59.01384	32.2
71.01382	13.7
73.02935	1.3
85.02934	5.1
89.02444	16.3
95.01384	1.1
95.05042	0.8
96.49239	0.6
96.95989	5.2
97.06562	1.7
101.02442	12.0
102.78073	0.7
104.88169	0.6
106.69988	0.7
109.06586	1.5
113.02446	8.2
119.03490	4.3
120.99614	0.7
125.06008	0.6
139.07596	0.8
139.11302	0.9
151.11278	24.5
151.12447	1.1
153.05573	1.0
157.08707	11.7
161.04608	0.9
161.13805	0.6
171.06636	6.0
175.81430	0.6
181.07321	0.7
183.10336	0.9
205.05202	0.7
219.32240	0.9
325.05728	1.0
345.15549	1.3
374.82999	0.8
457.93896	1.0
503.18759	3.5
503.25052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.34146	1.7
70.12358	1.7
71.01375	13.0
83.73067	1.7
85.02955	3.6
87.62543	2.1
89.02426	3.2
101.02451	10.3
113.02449	9.3
161.04544	2.2
217.46405	1.8
266.63818	1.8
399.23795	36.2
417.25204	4.0
459.26105	26.9
474.88153	2.1
497.50540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67647	0.5
57.03457	1.0
66.52019	0.5
67.01910	1.4
85.02965	2.7
87.00871	11.3
93.03442	1.2
111.00875	100.0
126.02027	0.6
139.59569	0.6
150.03259	4.1
165.05531	5.2
170.23584	0.6
171.10280	1.4
173.00922	10.0
191.05629	33.1
195.06686	2.3
199.13437	0.8
203.55913	0.5
211.13423	2.7
229.14464	0.7
277.07196	2.6
292.09573	2.3
293.21335	0.7
307.12000	6.6
329.23392	13.4
345.21146	0.6
503.24615	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
57.35135	1.0
58.07516	1.1
59.01383	32.5
66.31684	1.0
69.47146	1.4
71.01377	30.8
73.02940	15.5
85.02958	12.0
86.40546	1.2
87.00867	3.0
89.02439	33.0
99.00872	54.9
101.02428	24.0
111.00864	10.3
113.02441	21.7
119.03487	6.8
131.03487	7.1
149.04529	11.0
160.04019	6.5
161.04495	8.6
164.32965	1.5
171.95483	1.4
191.05681	13.7
209.15388	2.0
233.06566	5.5
295.04272	3.0
308.05371	3.1
309.05969	3.1
324.19931	1.4
325.05585	1.8
340.08221	6.4
341.08548	23.4
371.20941	2.2
503.13898	13.4
503.25046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71289	0.3
53.49383	0.3
59.01378	1.7
71.01373	0.5
85.02945	3.3
87.00887	0.9
91.30389	0.4
93.03440	2.4
101.02454	0.7
111.00872	4.6
111.04569	0.6
115.76759	0.4
127.03978	0.9
129.09192	0.8
167.02422	0.4
169.12277	0.6
171.10335	3.9
173.04504	1.8
181.12317	0.9
191.05634	100.0
192.33981	0.5
199.13397	4.3
201.11353	5.0
201.70509	0.4
206.44467	0.4
211.13420	3.6
229.14421	0.4
248.58490	0.5
275.20334	0.5
293.21323	2.1
311.22211	0.9
329.23386	39.0
438.85739	0.5
489.65714	0.5
503.29224	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02259	0.5
59.01388	1.6
71.01368	0.7
85.02943	3.8
87.00868	2.7
88.67285	0.6
91.80679	0.7
93.03458	7.7
111.00886	3.2
111.04505	3.1
127.03987	1.0
159.80769	0.6
161.31641	0.7
171.10239	1.5
173.04550	5.1
191.05630	100.0
211.13414	11.2
229.14522	8.9
298.98145	0.8
329.23358	28.7
330.65237	0.8
422.72696	0.7
503.22064	1.0
503.28891	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01373	1.7
67.01875	1.3
85.02953	5.0
87.00863	10.6
93.03437	3.1
93.09812	0.7
111.00871	99.2
111.04483	1.0
112.01211	1.4
112.29855	0.7
113.01319	0.9
120.38687	0.7
127.04031	0.9
139.11290	1.2
152.31447	0.8
162.87419	0.7
171.10254	4.5
173.00920	8.6
173.04504	1.7
191.05621	100.0
193.12337	1.2
199.13383	6.1
211.13454	6.2
227.14809	0.9
229.14456	1.2
311.22314	1.0
329.23334	40.5
503.23843	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26863	3.1
59.01375	21.5
71.01382	7.1
83.23009	3.6
94.49455	3.1
95.06422	3.5
98.26279	3.1
101.02441	6.2
106.21214	3.2
113.02409	5.2
195.83774	3.4
251.20239	23.5
265.25360	7.1
281.24884	100.0
295.26453	97.3
305.24823	3.8
323.25949	23.2
501.95294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78606	2.1
59.01374	20.2
61.98838	5.0
68.47813	2.4
69.03468	6.0
71.01376	6.5
73.02908	2.5
83.05026	10.1
95.05041	5.0
97.02940	6.4
111.00848	3.6
111.08147	4.4
113.06068	15.0
119.08668	23.6
121.06611	10.7
137.06099	16.6
137.09709	20.4
181.08725	14.2
199.09758	30.1
225.07684	49.9
243.08702	19.8
265.25305	4.0
268.79840	2.9
277.21747	43.1
281.24890	100.0
294.00534	3.2
295.26425	81.3
305.24908	3.4
323.25992	25.7
487.18271	3.7
503.21408	16.6
503.30286	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86214	0.5
59.01362	0.6
61.98825	0.9
62.48145	0.5
66.05647	0.5
69.49594	0.5
72.33139	0.5
72.77221	0.5
74.70296	0.5
77.90273	0.5
107.93339	0.6
123.52431	0.6
225.20216	0.8
271.93613	0.6
295.07867	0.7
308.25598	0.6
367.19275	0.6
399.17606	0.8
459.27194	2.9
503.33838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01382	0.4
69.13911	0.4
87.13817	0.4
128.41936	0.4
134.42778	0.4
165.81291	0.5
210.69238	0.4
241.17949	0.6
371.22415	0.6
388.84402	0.4
393.87192	0.5
459.27698	2.4
503.33823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Yardenone A
Peak:m/z	Relative Intensity
50.59523	0.8
55.62661	0.9
66.00250	0.9
80.33122	0.9
89.68564	1.0
92.22365	0.8
133.02922	5.1
134.03743	11.8
135.04530	1.1
137.02403	1.6
148.05331	1.2
160.01677	30.9
161.02467	7.3
161.06137	2.4
175.04004	90.0
178.02802	1.3
179.03456	1.1
182.61130	1.1
193.03445	1.3
193.04997	8.6
205.03337	1.1
205.05106	1.5
295.28299	1.3
303.16058	1.1
317.17633	1.3
327.29074	15.6
331.19183	2.0
345.20767	1.2
349.80661	1.0
359.22318	1.8
387.25394	1.9
401.26968	5.2
406.69571	1.1
415.28619	1.4
471.31308	10.3
503.33887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3388
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
53.53096	0.5
62.65968	0.5
76.54601	0.6
80.99845	0.5
111.00874	10.7
149.06178	0.6
173.00888	1.2
179.72408	0.6
379.30078	3.7
391.30026	1.1
393.27441	0.9
393.32172	1.6
401.28226	1.3
403.30136	0.8
409.31180	24.8
417.28342	1.1
419.29620	1.2
421.31216	7.6
423.28714	0.6
425.30923	0.7
430.90891	0.7
441.33890	4.1
453.30142	15.5
457.33505	5.4
473.32770	3.4
476.26932	0.6
485.32474	2.3
503.33838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01363	0.5
67.30385	0.4
71.05019	0.5
98.45535	0.4
101.69170	0.4
111.00874	2.8
111.08038	0.5
145.04817	0.5
188.39731	0.5
271.55304	0.5
283.05307	0.5
291.97745	0.5
297.63507	0.5
387.78622	0.5
388.32123	0.4
389.28983	0.5
393.31607	1.7
407.29440	0.7
419.29471	2.0
443.31738	2.3
459.26242	0.7
485.32730	20.0
503.27383	3.8
503.33856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13110	0.3
78.95892	4.6
82.02971	0.7
91.94211	0.3
96.16316	0.4
96.95995	2.1
96.96947	14.1
113.13064	0.3
126.01987	0.4
128.03526	100.0
135.22261	0.3
144.03032	0.6
190.29343	0.4
191.05663	2.1
405.75739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05869	0.3
71.89494	0.4
73.15213	0.4
83.09100	0.4
85.37844	0.4
100.98463	0.5
109.02943	0.6
123.04511	4.8
135.04517	7.4
137.06084	6.6
146.09923	0.4
149.06097	2.3
160.01709	0.5
161.02438	13.5
162.03233	4.1
163.03998	0.6
163.06425	2.1
164.07108	0.6
165.07906	5.2
178.08716	2.6
180.10318	18.0
189.04340	2.1
190.05125	5.5
191.05911	2.9
192.06694	1.7
192.10388	0.9
193.07541	0.7
204.06671	5.0
206.08282	2.4
220.09808	0.6
227.07149	0.7
239.07124	2.5
241.05066	7.7
242.05836	0.5
251.07129	0.5
254.05766	3.3
255.06667	0.9
257.08359	1.0
267.06650	1.1
269.08191	2.3
270.11380	5.7
279.06680	2.1
282.11496	0.5
283.06152	1.5
283.09372	0.5
284.06784	3.6
285.10004	5.9
294.07690	0.5
296.06946	3.3
298.10858	0.8
299.09155	3.4
300.12537	6.3
300.82846	0.5
310.10910	2.7
311.09320	12.1
312.08740	1.8
314.13965	1.0
327.11197	5.6
342.13492	100.0
373.94412	0.4
425.10541	0.6
504.18839	32.8
515.49261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50814	0.6
56.28139	0.6
56.53817	0.6
57.17332	0.7
79.55184	0.6
79.61996	0.6
82.07232	0.7
82.88528	0.6
95.96088	0.6
115.85050	0.7
119.60122	0.7
123.04468	1.4
135.04503	7.2
137.06087	5.7
149.06091	3.5
161.02437	12.5
162.03212	3.8
163.03970	1.0
163.06419	0.9
164.07133	0.7
165.07950	4.4
178.08784	1.7
180.10332	15.9
189.04320	3.3
190.05061	4.0
191.05849	1.8
197.94312	0.8
204.06676	4.7
206.08334	1.3
239.07176	3.2
241.05067	8.0
254.05792	1.7
267.06677	1.1
269.08258	2.6
270.11411	6.1
284.06876	4.2
285.10153	5.8
296.06784	2.9
299.09268	4.2
300.12531	6.6
310.10889	3.7
311.09311	10.6
312.08859	1.5
313.42133	0.8
327.11130	7.0
342.13489	100.0
413.40543	1.0
437.53665	0.9
504.18787	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36432	0.5
64.53209	0.6
76.14381	0.6
76.85857	0.6
90.76099	0.7
92.22472	0.8
94.30347	0.6
108.28522	0.7
123.04534	5.6
135.04526	8.0
137.06104	4.5
141.70409	0.6
149.06042	1.5
161.02437	12.4
162.03235	3.9
163.04112	0.9
163.06357	1.4
165.07957	5.2
178.08748	1.4
180.10307	17.0
188.43034	0.7
189.04373	3.9
190.05067	5.2
191.05893	3.6
192.06699	1.4
204.06607	4.7
205.07515	0.9
206.08228	1.3
227.07199	1.4
239.07190	1.5
241.05090	9.3
242.06055	0.8
254.05797	2.7
255.06696	0.9
265.82629	0.7
267.06641	1.5
269.08206	1.2
270.11414	4.7
271.09903	0.9
283.06375	1.1
283.09796	0.9
284.06830	3.6
285.10104	6.3
296.06970	3.2
299.09235	4.3
300.12534	5.0
310.10846	3.5
311.09256	11.2
312.08810	2.6
314.14026	1.1
327.11191	7.9
342.13498	100.0
392.23999	0.7
442.01443	0.7
504.18851	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
86.89960	0.6
92.39188	0.7
109.02940	0.9
123.04511	4.2
135.04506	7.4
137.06108	4.8
149.06026	1.5
151.30595	0.7
161.02431	12.9
162.03241	3.5
163.04056	1.3
163.06343	1.4
165.07927	4.6
172.34947	0.7
178.08740	4.2
180.10307	16.4
189.04341	2.8
190.05052	5.2
191.05879	4.1
192.10417	0.8
204.06671	4.2
206.08324	1.2
227.07149	0.9
239.07126	1.1
241.05067	9.6
254.05821	2.8
268.07263	0.8
269.08200	2.8
270.11252	5.5
282.11047	1.2
283.09686	0.7
284.06805	3.6
285.10010	3.9
294.07919	0.7
296.06677	2.4
299.09219	3.2
300.12512	5.7
310.10834	2.8
311.09253	11.4
312.08691	1.4
314.13959	1.1
326.10718	0.8
327.11142	8.1
342.13504	100.0
382.13980	0.8
504.18863	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80917	1.1
64.29629	1.0
71.58107	1.1
89.92289	1.0
98.96674	1.0
102.52018	1.1
107.71642	1.0
123.04543	4.6
124.99882	1.1
135.04555	8.6
136.05305	1.1
137.06082	6.6
149.64009	1.1
161.02438	13.4
162.03233	2.5
163.04005	1.9
165.07961	5.0
176.97610	1.2
178.08768	1.4
180.10301	17.1
189.04361	2.1
189.21548	1.1
190.05118	5.5
191.05978	2.3
204.06621	5.2
206.08321	1.6
227.07079	1.2
236.46297	1.0
239.07179	1.9
241.05075	9.4
254.05853	2.3
270.11395	7.0
283.09540	1.2
284.06900	4.8
285.10114	7.0
291.15765	1.1
296.06714	3.3
299.09232	4.0
300.12482	6.5
310.10788	2.1
311.09262	12.3
327.11298	7.9
342.13486	100.0
504.18811	33.3
529.02197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66628	0.5
60.15075	0.4
75.83422	0.5
79.05925	0.6
87.98817	0.5
91.28033	0.7
100.18745	0.6
113.00575	0.6
113.61668	0.6
116.50970	0.5
123.04492	4.2
124.12370	0.5
131.04227	0.6
135.04503	6.6
137.06075	6.1
137.77200	0.7
149.06070	2.7
158.60368	0.6
160.01462	0.6
161.02444	13.4
162.03217	3.4
163.03990	0.7
163.06429	0.8
165.07953	3.6
178.08733	0.7
180.10330	14.4
189.04308	2.7
190.05089	5.2
191.05849	3.1
192.06758	0.8
192.10284	0.7
204.06627	4.4
206.08237	1.1
212.04738	0.9
220.06255	0.7
239.07199	2.8
241.05074	9.6
242.05740	0.8
254.05846	3.4
255.06648	0.9
257.08420	0.9
267.06610	0.9
269.08200	1.3
270.11401	5.5
279.06805	0.8
282.11407	1.4
282.43997	0.6
282.96161	0.6
283.06165	1.1
283.09711	1.0
284.06903	3.2
285.10043	5.9
296.06885	2.6
299.09131	5.1
300.12500	5.7
310.10806	3.4
311.09225	11.1
312.08862	1.0
314.13980	2.3
327.11188	6.9
342.13504	100.0
483.10300	0.7
504.18835	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46088	0.6
59.32397	0.6
61.98825	6.9
63.14003	0.7
78.95878	4.8
111.26646	0.7
118.45676	0.8
152.99609	8.4
165.87352	0.6
168.00687	1.3
212.60306	0.8
279.23303	100.0
318.52502	0.8
318.56085	0.9
343.38400	0.9
500.96600	0.9
504.27374	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.7
78.95902	9.0
81.23009	0.8
96.96966	1.0
97.60342	0.7
129.36000	0.7
147.76047	0.8
148.46637	0.7
152.99594	32.0
158.35333	0.8
168.00655	0.9
176.20628	0.9
224.03326	3.6
244.18648	0.9
279.23328	100.0
323.91068	0.8
325.62170	0.8
504.27414	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21983	0.6
71.02713	0.6
78.51078	0.7
78.95896	8.7
79.62263	0.7
82.55509	0.9
92.23108	1.0
152.99585	26.5
175.65680	0.8
224.03389	1.6
242.04477	1.4
279.23312	100.0
323.20529	0.8
423.70087	0.8
504.27365	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26955	1.5
78.95899	6.8
111.68349	2.0
152.99585	7.6
156.80078	1.8
214.91917	1.9
259.53116	1.9
270.47937	2.2
279.23315	100.0
289.23163	1.8
504.27393	52.6
509.39374	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17260	0.9
54.18941	1.0
55.27880	0.9
61.98825	2.4
73.47893	1.0
78.95902	13.0
100.78280	1.0
112.92336	1.1
131.22331	1.1
145.79271	1.0
152.99583	33.3
161.91026	1.0
196.37465	1.2
204.15016	1.1
224.03308	1.5
279.23297	100.0
375.14825	1.2
484.33194	1.3
504.27402	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2735
Annotation	Stachybotrin C
Peak:m/z	Relative Intensity
52.12851	1.0
52.37969	1.1
68.67236	0.9
71.07021	0.8
71.56771	0.9
78.95901	13.0
84.57442	1.0
96.96004	1.7
96.96964	1.3
103.45566	1.2
152.99577	35.9
183.70375	1.4
185.32436	1.2
209.04805	1.2
224.03221	1.9
261.22284	1.2
279.23306	100.0
371.39365	1.3
433.24042	1.6
504.27383	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2742
Annotation	Stachybotrin C
Peak:m/z	Relative Intensity
67.62815	0.5
78.95898	3.1
81.84571	0.5
91.35488	0.5
96.96947	0.5
114.12730	0.5
118.49419	0.6
137.01878	0.5
152.99583	9.1
168.00838	0.5
224.03354	0.7
242.04378	1.3
279.23325	100.0
435.40546	0.7
484.48508	0.6
504.27408	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
96.54747	1.1
101.12525	1.1
104.04626	1.1
109.37118	1.0
128.39841	1.3
134.88589	1.1
166.63295	1.3
171.26662	1.2
191.05627	24.1
191.53349	1.3
192.05939	8.5
209.34712	1.4
350.54526	1.2
436.83392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51140	1.2
60.21040	1.6
61.98829	100.0
61.99151	3.4
67.95242	1.4
71.98500	1.3
78.95890	1.6
88.15131	1.4
94.35567	1.4
106.20946	1.4
117.06609	1.5
147.90915	1.8
156.40610	1.6
249.09082	1.5
309.14041	1.5
311.69626	1.6
431.46545	1.6
446.04849	1.8
452.56097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51393	0.6
55.24767	0.5
59.01369	0.6
61.98833	100.0
67.38927	0.6
80.78658	0.6
88.70760	0.6
90.97825	0.5
93.61828	0.5
139.97046	0.5
267.23111	0.6
276.19870	0.5
280.23694	0.9
301.92606	0.6
305.67343	0.6
332.96295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3101
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
54.53563	0.4
55.79137	0.4
61.98859	0.4
64.33198	0.4
65.15509	0.5
78.95901	4.1
79.04411	0.4
87.62346	0.5
90.92178	0.4
98.43745	0.4
105.22868	0.4
152.99593	0.8
168.04286	0.9
171.88153	0.5
180.20560	0.4
224.06932	1.0
242.08040	2.0
261.22195	0.7
279.23315	100.0
405.47000	0.5
504.31049	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51917	0.4
56.87119	0.4
65.97775	0.5
77.76067	0.4
78.95901	13.2
83.67256	0.5
87.93652	0.4
88.36557	0.5
88.89262	0.4
142.60562	0.5
152.99603	3.7
168.04294	3.8
224.06941	7.9
242.08099	0.8
261.22229	0.6
279.23297	100.0
374.02753	0.5
504.31030	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80350	0.1
57.55340	0.1
59.01381	0.4
61.63218	0.1
71.01373	0.7
85.02937	0.3
89.02443	0.3
93.03452	39.9
101.02467	0.3
107.05076	0.2
113.02442	0.2
137.02446	100.0
145.03021	0.2
149.02448	1.0
164.04803	3.0
175.00346	0.1
179.07208	0.2
190.02745	5.0
191.03529	0.2
194.11475	0.2
205.05080	8.6
208.03783	0.2
223.06123	1.9
265.85944	0.2
289.82965	0.2
299.07751	0.3
301.10846	0.3
312.34915	0.2
360.26187	0.1
367.10355	3.0
386.83743	0.2
461.15012	0.2
463.13354	0.2
469.17261	2.1
505.13281	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33211	0.2
55.58304	0.3
59.01385	6.8
64.24500	0.3
68.86353	0.3
74.97503	0.3
78.54942	0.3
85.29736	0.3
112.44561	0.3
118.04417	0.3
124.71461	0.3
131.43835	0.4
150.69542	0.3
162.46495	0.3
190.30507	0.4
250.24959	0.4
268.03793	20.7
283.06134	100.0
325.07147	0.4
445.11353	0.7
505.24405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1361
Annotation	LMPK12140436
Peak:m/z	Relative Intensity
51.40931	0.3
51.51779	0.4
59.01375	0.7
63.47624	0.5
71.01388	0.7
76.00409	0.4
92.63480	0.5
93.03452	38.8
101.02431	0.5
108.80205	0.4
137.02448	100.0
145.02950	3.4
164.04878	3.1
170.08693	0.4
190.02754	4.7
205.05070	7.7
223.06056	1.0
343.21310	1.0
367.10385	2.9
505.13867	2.8
522.65704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13884	0.3
59.01383	6.9
70.87916	0.4
73.18073	0.4
74.75751	0.4
85.32732	0.3
104.89922	0.4
113.15192	0.4
268.03793	26.2
277.11627	0.5
283.06143	100.0
424.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.0
68.09616	0.7
71.01380	2.0
71.62266	0.8
73.02900	1.0
89.02431	1.5
101.02437	2.0
113.02406	1.2
130.08636	1.0
135.04509	0.9
149.02455	1.3
158.36699	0.9
164.04816	13.1
175.00418	1.9
179.07237	1.6
180.72543	0.9
190.01257	0.9
190.02716	43.0
205.05072	100.0
208.03743	3.2
223.06154	11.1
226.69144	0.8
236.57043	0.9
439.12918	1.0
454.15326	1.2
469.17212	93.7
492.23877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.2
62.11305	0.9
62.12641	0.9
70.44389	1.2
71.01374	7.2
79.41012	1.1
82.90182	1.1
89.02438	8.0
95.19639	1.2
101.02439	5.5
102.31464	1.3
113.02419	5.4
115.90916	1.2
131.01250	1.2
134.03799	1.9
136.01704	1.4
147.04507	2.0
149.02443	1.7
160.01761	1.7
161.02449	1.6
163.04028	3.1
164.04811	10.3
166.02679	5.3
175.03961	4.8
177.05605	2.1
181.05252	1.2
190.02724	33.8
192.92169	1.2
205.05070	72.4
207.03099	1.4
222.05339	1.8
223.06104	7.6
301.10791	3.1
311.09219	2.9
326.11819	1.4
328.13358	1.5
341.13971	5.3
343.15475	2.3
469.17203	100.0
505.17227	12.8
505.24597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33103	0.8
55.89256	0.7
59.92443	0.8
66.65318	0.7
68.74154	0.8
71.01385	4.3
82.55720	0.8
85.02947	1.8
93.03442	1.0
101.02448	3.5
113.02439	1.9
137.02428	2.0
149.02441	1.1
154.45174	0.9
163.04039	1.1
164.04771	9.1
175.00386	3.5
179.07133	1.4
190.02708	39.2
198.75938	1.0
205.05070	91.7
208.03854	1.4
209.04527	1.4
223.06163	8.8
336.38474	1.0
439.12500	2.0
454.14633	1.9
469.17200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
71.01369	3.1
72.99303	3.8
75.00900	0.6
81.03447	0.7
85.02965	0.9
89.02427	1.1
93.03459	4.7
99.00864	2.2
101.02431	2.3
113.02441	3.4
119.03544	0.6
119.04990	5.6
125.02437	0.6
126.01945	3.3
135.04520	12.0
144.03021	3.1
162.34285	0.6
163.02629	1.3
163.04005	34.1
179.03517	0.7
181.05074	100.0
191.05649	2.7
197.04610	1.0
200.08521	0.6
265.36801	0.6
310.43622	0.8
359.09909	2.3
425.49936	0.6
505.15689	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67420	0.7
59.01374	3.5
71.01366	3.6
72.99307	4.9
75.00844	0.8
82.36475	0.7
85.02976	1.1
87.02316	0.7
89.02419	3.6
93.03452	4.4
94.98091	0.9
96.96931	0.8
99.53510	0.6
101.02444	1.7
111.00784	0.7
113.02392	0.8
113.84441	0.6
119.05029	6.8
126.01997	1.3
127.00352	3.0
128.03523	1.5
130.76247	0.6
135.04510	12.3
137.06087	0.7
144.03076	0.7
145.01436	3.6
149.06078	0.8
163.04012	33.5
181.05072	100.0
191.05605	1.6
274.42642	0.8
337.36374	0.7
505.15701	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.4
63.22268	0.5
64.37987	0.7
71.01354	2.6
72.52084	0.6
72.99291	4.0
89.02422	1.2
92.44757	0.6
93.03425	4.2
97.03067	0.7
101.02407	3.0
103.88643	0.6
113.02441	0.8
119.05011	8.8
126.01968	1.5
135.04520	13.0
137.06154	0.8
144.03027	1.0
145.05106	0.8
163.04001	36.4
166.66626	0.6
181.05064	100.0
191.05608	1.5
202.82660	0.7
254.32936	0.8
350.32202	0.7
359.09778	0.8
505.15625	91.3
516.72455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1569
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
59.01384	4.6
71.01382	4.6
72.99303	3.9
73.02962	0.6
75.56963	0.4
76.15764	0.4
83.01377	0.4
85.02940	5.1
89.02434	3.4
93.03451	1.9
95.01369	0.6
99.00880	3.1
101.02457	3.8
104.71182	0.3
107.22239	0.4
113.02450	6.1
119.03507	0.8
119.05012	5.7
135.04532	12.0
137.02516	0.5
143.03468	0.5
161.04547	2.4
163.04002	28.8
175.25871	0.4
179.03502	0.4
181.05070	100.0
203.41164	0.4
306.60034	0.4
325.09244	0.9
339.99945	0.4
434.53616	0.5
476.53412	0.4
492.02386	0.5
505.15698	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.8
71.01363	4.1
72.99302	6.5
87.44217	0.9
89.02424	3.7
89.84109	0.8
93.03423	5.2
99.00873	1.2
101.02412	5.4
113.02429	3.9
119.05025	7.6
134.03732	1.0
135.04510	11.0
163.04007	33.2
167.77390	1.0
181.05064	98.4
183.36197	1.0
253.07053	1.3
364.85580	1.0
371.11865	1.1
422.03198	1.2
505.15665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50194	1.0
59.01100	2.1
59.01381	26.4
59.10512	1.2
65.75008	1.4
68.09518	1.2
71.01384	21.4
73.02937	3.4
85.02950	5.5
87.00872	1.6
89.02438	20.7
98.60020	1.5
99.00877	1.9
101.02452	12.9
111.42919	1.5
113.02454	12.8
115.05570	1.4
117.03500	5.1
119.03486	2.8
119.05038	2.4
131.03510	5.3
131.04964	2.2
133.06615	3.1
145.02943	27.8
146.03732	7.1
147.04524	100.0
149.04567	7.0
161.02464	19.5
161.04602	6.2
161.06073	82.4
162.03214	39.2
177.05550	17.3
180.04443	2.2
189.05582	27.2
195.06696	1.6
219.06656	6.1
249.07744	2.8
256.65176	1.5
309.10071	1.5
313.16449	1.8
329.00748	1.6
331.27130	1.6
339.10986	6.3
340.28937	1.6
375.70023	1.4
442.11810	1.7
445.20569	23.2
471.71884	1.4
487.16254	7.7
505.13892	2.8
505.25775	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34120	1.0
54.09603	1.0
54.88676	1.0
59.01392	8.4
66.95205	1.0
68.55420	1.2
71.01380	6.9
72.40035	1.2
73.02950	1.4
85.02947	1.9
89.02445	2.2
101.02433	6.1
113.02396	2.1
119.05016	1.5
135.04507	1.8
137.02423	1.6
137.06082	39.8
149.02455	2.5
164.04802	11.9
171.10254	2.0
175.00336	7.8
179.07217	1.9
181.12299	2.0
183.47252	1.4
190.02734	74.8
193.04951	1.4
205.05074	90.9
208.03752	2.1
209.04538	1.3
223.06110	11.4
225.11241	5.8
258.56534	1.2
282.00702	1.3
343.11676	1.3
343.21365	10.7
367.10175	11.9
375.33340	1.3
415.23544	2.8
505.17172	100.0
505.25024	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37545	0.9
59.01381	18.5
71.01380	10.8
73.02934	4.7
75.00870	2.8
80.81587	1.1
85.02953	2.7
89.02423	11.3
94.56033	1.1
99.00862	1.7
99.97327	1.1
101.02436	10.5
113.02444	4.8
117.82529	1.4
119.03506	2.0
119.05063	1.8
131.03445	1.3
142.61528	1.2
149.02414	5.9
150.03316	1.6
152.13560	1.1
154.85535	1.1
161.04489	1.3
163.03957	2.0
164.04784	18.0
175.00363	9.8
176.01109	2.1
179.07043	1.6
190.02739	70.6
191.03503	9.7
191.05478	1.9
192.05864	1.3
193.06081	2.1
205.05074	76.3
206.05737	1.4
207.06757	1.3
209.04625	9.7
211.13400	2.7
221.08113	1.7
223.06096	9.9
251.05609	2.6
255.10637	1.2
265.07129	2.5
281.48303	1.5
290.10889	1.2
311.07736	2.3
313.16544	4.8
445.20770	25.6
475.12473	1.6
479.39288	1.5
505.17221	100.0
505.26590	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47663	0.3
54.03441	0.3
58.08147	0.3
73.69802	0.5
77.38635	0.3
79.99423	0.4
85.02941	2.8
85.03399	0.5
87.00890	0.4
119.63620	0.4
123.27641	0.5
134.89532	0.4
142.26321	0.5
176.08266	0.4
191.05626	100.0
193.06129	0.6
248.76996	0.5
474.55676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1874
Annotation	(+)-Lariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
52.75170	0.5
59.01371	0.7
59.19142	0.6
68.58146	0.7
77.20728	0.6
94.50926	0.6
119.05019	88.8
145.02972	1.1
146.00166	0.6
153.41795	0.6
163.04010	100.0
270.12866	0.7
281.87820	0.8
283.09738	3.3
294.08878	1.0
296.10635	1.2
298.12085	3.3
311.09290	31.8
323.95673	0.7
325.10785	1.5
326.11578	19.2
341.13962	25.0
505.18741	2.9
505.31802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50445	0.9
54.80022	0.9
59.01380	71.1
63.11850	1.0
70.35582	0.9
89.02441	1.2
92.22443	2.3
99.04516	1.7
143.03523	4.1
143.07103	1.4
160.61354	1.0
161.02422	7.3
176.04802	11.2
179.03516	5.3
181.28578	1.2
191.07137	7.3
194.05856	46.6
209.08200	100.0
310.39215	1.2
347.17215	1.1
445.17038	7.6
501.52615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46993	1.3
59.01379	24.1
70.02700	1.9
71.01381	23.3
72.13316	1.4
73.02953	13.4
73.03297	2.0
77.61142	1.4
79.76962	1.9
83.01389	2.2
83.05032	1.9
85.02941	10.6
87.24592	1.7
88.68792	1.7
89.02459	6.7
92.61385	1.9
95.04989	1.9
97.02965	3.2
99.00873	2.5
99.04478	3.2
101.02443	29.2
101.06106	3.9
113.02442	12.0
115.04012	26.4
127.04002	3.0
135.07959	1.9
139.11290	2.7
141.59763	1.8
155.03558	2.2
161.04555	12.8
171.10295	12.8
173.04579	2.7
183.10280	7.5
201.11319	2.3
209.11899	3.4
217.03589	2.0
225.11382	1.7
229.14339	2.9
235.31831	1.9
237.14946	2.0
263.11356	100.0
325.20273	2.0
343.21255	27.1
415.23474	2.6
445.24673	2.0
505.26318	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57418	0.9
52.75023	1.2
55.01863	1.2
57.51868	1.1
59.01381	75.0
71.01375	54.6
73.02943	8.0
85.02939	6.1
89.01875	2.9
89.02433	84.1
99.00870	1.5
101.02438	31.4
113.02419	15.6
116.92848	1.9
117.01936	1.2
119.03465	14.4
131.03482	16.3
138.43675	1.3
149.04518	22.2
179.05629	8.0
191.05679	10.6
265.97083	1.2
313.12933	8.2
347.16986	2.8
445.17184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55968	0.8
57.54097	0.7
58.32718	0.8
58.58747	0.9
59.01382	100.0
66.73881	0.7
69.15257	1.0
71.01387	7.2
73.02934	2.0
75.93626	0.8
85.02940	1.3
88.13636	0.8
89.02447	4.7
101.02418	10.5
113.02431	5.9
119.03481	1.2
130.36469	0.9
146.24284	0.9
161.04535	4.6
191.03371	1.1
216.84712	1.1
239.46446	1.0
283.15390	6.3
322.44128	1.0
347.17130	52.7
385.51974	1.0
497.93832	0.9
505.22983	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38353	1.8
59.01103	4.4
59.01385	94.0
71.01379	33.2
72.99316	2.7
73.02943	8.8
75.00876	9.4
75.76613	2.3
78.08018	2.1
79.05572	2.3
79.31384	2.2
83.01398	3.1
85.02946	12.8
87.00887	3.4
89.02431	31.1
89.39654	1.9
95.96192	2.3
96.95996	3.5
97.06587	13.5
99.00900	2.4
99.04507	9.6
100.58305	2.5
101.02428	34.1
111.00871	4.7
111.04525	2.2
113.02436	22.0
115.04034	2.3
119.03477	9.9
123.04517	27.4
132.75148	2.1
141.05597	9.3
155.03450	2.7
161.02412	2.7
161.04576	4.1
173.04552	9.6
173.08147	2.6
222.93248	2.6
263.11551	3.2
313.10941	3.4
330.27124	2.6
347.17102	31.6
389.18240	4.6
417.15933	3.5
469.17105	3.7
497.78421	2.9
503.98962	2.8
505.22433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36106	0.9
59.01383	10.7
61.58264	1.0
61.79124	1.1
71.01369	22.5
73.02949	11.9
82.09057	1.0
83.01395	1.7
85.02954	6.6
89.02436	11.6
92.23076	1.3
92.65369	1.0
99.00870	5.2
101.02436	24.0
113.02427	12.6
115.03958	1.3
117.13168	1.2
119.03485	1.6
125.02439	2.2
129.01991	1.2
131.03458	1.4
131.22983	1.2
135.48993	1.2
137.02411	4.0
149.04480	1.7
159.02994	1.9
161.04568	18.3
313.16620	13.4
328.05835	1.4
445.20856	100.0
505.12854	1.4
516.80054	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54894	0.8
59.01389	10.2
59.52930	0.8
60.60270	0.8
68.98068	0.8
71.01382	21.9
71.01740	1.5
73.02942	11.1
81.95041	1.0
83.01384	2.3
85.02947	5.2
89.02441	6.0
98.47398	1.0
99.00859	5.0
101.02446	24.0
113.02448	14.9
125.02432	1.1
125.25281	0.8
131.03487	1.7
143.03525	1.9
149.02457	1.6
159.02945	4.3
161.04543	22.5
175.03954	3.9
190.02719	3.8
205.05092	5.2
276.23328	1.0
313.16702	14.6
320.22876	1.0
445.20847	100.0
451.04971	1.0
505.16821	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
73.59008	0.8
74.04328	0.7
78.95895	5.4
93.69926	0.8
101.62864	0.7
133.35600	0.8
137.96599	0.8
143.62997	0.8
152.99602	16.4
170.73080	0.8
171.00618	1.3
227.03299	1.0
240.50116	1.0
245.04428	1.3
247.05786	0.8
277.21741	100.0
323.44312	0.9
505.25806	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48468	0.6
59.01376	1.1
62.91194	0.8
65.75621	0.7
78.95895	26.5
96.96944	3.0
111.00875	0.9
131.04501	0.9
145.97823	0.8
152.99577	100.0
156.89458	0.9
171.00652	4.7
179.15288	1.0
203.86862	0.8
210.14415	0.9
225.04686	1.0
237.09219	1.2
250.48225	0.8
271.06296	1.1
333.24454	4.0
505.25751	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60659	1.9
59.01396	2.9
59.50288	1.8
61.98829	2.0
67.30497	2.0
76.08646	2.4
78.95895	14.0
89.16045	1.8
106.41208	2.0
129.00015	1.9
145.03085	3.8
152.99577	52.2
171.00784	2.2
217.80428	2.0
246.33255	2.2
251.71848	2.0
270.24203	2.0
270.62650	2.1
277.21765	99.3
310.10263	2.3
322.12207	2.1
369.56613	2.0
409.75729	2.0
505.25742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00560	1.0
59.01373	2.7
61.98809	1.3
78.95889	10.7
82.45431	1.0
86.52280	0.9
96.95990	1.1
109.29639	1.1
128.45955	1.0
141.23781	1.1
145.36867	1.1
152.99583	47.8
171.00690	2.2
227.03145	3.8
245.04164	1.3
257.40967	1.2
277.21735	99.6
420.14172	1.3
505.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21244	0.7
59.01378	1.5
78.95895	11.4
98.29338	0.8
152.99580	39.6
171.00603	3.2
227.03304	4.2
233.22812	0.9
245.04349	1.1
277.21750	87.6
505.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89616	0.6
56.88214	0.6
59.01363	3.4
62.32804	0.6
68.66730	0.6
70.39429	0.6
78.95902	8.6
88.20626	0.6
94.67425	0.7
111.36215	0.6
119.04994	0.8
120.73856	0.7
121.83903	0.6
132.83009	0.6
134.03598	0.8
145.02957	5.3
152.99582	35.6
161.54420	0.7
171.00656	1.4
182.23213	0.6
189.11191	0.7
189.84827	0.6
190.04144	0.6
193.04930	0.8
200.25995	0.7
211.13382	0.7
227.03192	3.1
233.22633	1.0
243.76439	0.7
274.07477	0.9
277.21747	100.0
328.11053	0.7
505.25763	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2579
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.21660	0.5
55.05548	0.5
59.01399	0.6
78.95895	49.6
96.96947	3.8
150.98041	0.7
152.99576	100.0
160.82043	0.6
162.83914	2.0
171.00604	2.6
214.14232	0.6
333.24356	3.4
505.25775	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.45429	0.7
77.53238	0.5
78.95903	3.1
80.59464	0.6
83.19235	0.5
84.52054	0.5
87.12202	0.6
95.55723	0.6
96.78809	0.5
99.64267	0.6
116.67843	0.6
133.23918	0.6
141.29884	0.5
145.02878	0.9
145.39821	0.5
149.02704	0.6
152.99583	15.4
171.00557	1.2
171.10246	0.7
181.65309	0.6
211.13445	0.7
227.03300	0.9
230.12808	0.6
245.04373	0.6
259.20596	0.8
277.21744	100.0
311.72919	0.8
473.42542	0.6
505.25751	64.0
505.31635	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69193	2.4
57.07371	2.4
59.01371	5.6
59.17942	2.5
63.59769	2.3
73.14938	3.0
77.27673	2.6
101.92509	3.9
102.03739	2.9
119.05008	6.4
145.02969	35.4
152.99580	16.0
163.04031	11.2
169.69193	3.1
190.64993	3.0
263.38303	3.0
277.21756	100.0
277.24219	3.5
375.07544	3.4
505.25757	82.0
511.52972	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2578
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.30436	0.6
53.85588	0.7
55.26408	0.8
59.01387	0.8
61.98233	0.8
66.27553	0.7
72.21452	0.6
78.95909	10.7
83.77360	0.8
84.16888	0.7
87.09802	0.7
110.48909	0.7
115.74133	0.9
143.80495	0.8
152.99590	45.6
171.00661	3.2
217.86250	0.7
227.03307	3.0
259.20593	1.3
277.21744	94.0
300.49747	0.8
306.66031	0.8
505.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91823	0.4
51.20436	0.5
55.34846	0.5
78.95903	32.6
91.27282	0.5
96.02686	0.6
96.96967	6.5
100.48952	0.6
116.64386	0.5
116.66949	0.5
126.62518	0.5
152.99590	100.0
171.00684	4.7
187.13217	0.6
505.25836	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2588
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01372	0.8
61.48511	0.5
61.98831	0.5
65.52705	0.5
72.99303	0.5
77.50359	0.6
78.95903	48.3
96.96959	4.9
107.17162	0.6
111.00845	1.4
111.50007	0.6
118.32283	0.8
120.12247	0.6
150.98074	0.8
152.99590	100.0
171.00638	2.4
248.68111	0.6
305.25040	0.7
333.24356	4.2
480.52847	0.7
505.25821	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81217	0.5
59.01382	1.5
71.01359	1.0
73.02952	0.8
85.03008	0.6
87.00867	100.0
89.02449	0.7
93.03419	1.5
101.02456	1.1
101.71320	0.7
117.69308	0.6
137.02446	5.8
152.84509	0.6
158.35512	0.7
178.22943	0.7
178.72899	0.6
182.09428	0.6
205.05090	2.6
280.89340	0.7
328.06021	0.8
335.02350	0.7
438.86469	0.7
469.17145	0.9
505.13995	1.4
505.26300	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2663
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01876	1.8
57.03453	2.3
57.23662	0.8
59.01102	1.8
59.01381	34.3
59.01680	1.2
60.41627	0.8
68.64848	1.0
71.01377	54.0
72.32590	1.0
73.02937	23.0
73.03308	1.8
75.00856	1.4
83.01381	10.8
85.02946	27.6
87.00860	2.4
89.02439	20.6
89.68958	0.8
94.39976	0.9
95.01366	5.4
96.96063	1.3
97.02933	1.2
99.00856	8.8
101.02438	54.2
113.02446	30.0
119.03447	2.0
131.03516	1.1
132.89304	1.2
135.74544	0.9
137.02502	1.0
143.03502	1.5
159.03011	6.0
161.04565	13.2
191.05667	2.3
193.06125	1.4
204.16406	1.0
338.26425	1.1
347.17108	1.3
357.24463	1.0
373.22345	85.1
481.41507	1.3
505.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.6
59.01387	59.1
71.01382	26.5
73.02924	3.7
89.02436	28.4
96.96007	14.7
97.06586	28.5
101.02451	18.8
113.02437	14.6
119.03445	5.3
123.08137	4.8
143.07130	15.6
149.09703	5.2
157.02063	2.6
157.08658	4.0
165.05554	5.7
171.10378	2.8
173.08099	4.9
178.02742	2.7
191.05498	2.9
193.05042	4.0
194.56331	2.6
196.45309	2.5
223.13416	25.3
227.83817	3.3
237.24741	2.8
249.15025	27.9
289.18256	10.0
307.19159	9.6
325.20212	74.5
347.17111	13.9
361.76263	2.7
409.48642	3.0
410.85797	2.7
505.19559	6.8
505.26755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74773	0.8
55.01897	0.9
57.03449	1.4
59.01382	49.4
59.91534	0.8
62.57927	0.8
67.98495	0.8
71.01380	18.6
73.02935	6.5
75.00872	0.9
77.33981	0.9
83.01375	1.6
85.02956	9.7
89.02441	13.3
97.02982	1.0
97.06580	1.2
99.00912	1.2
101.02445	20.1
109.06602	1.8
111.00855	8.0
113.02468	13.1
115.04007	2.2
115.23516	1.0
119.03480	4.2
121.71010	0.8
127.07649	2.1
161.04562	6.0
173.08195	25.7
175.07687	1.6
179.07153	1.5
185.11853	3.6
203.09271	9.1
265.07227	1.8
307.19244	1.7
325.20401	7.9
329.14096	5.0
347.17126	23.8
417.15997	1.6
487.26001	1.2
505.26733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3029
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
59.01383	9.0
61.98832	1.3
71.01387	7.7
72.99320	1.8
73.02949	0.8
75.00871	12.9
78.95898	1.1
85.02958	13.2
87.00875	4.7
89.02425	3.5
95.01370	2.0
99.00883	6.1
113.02435	13.6
113.34835	0.8
117.01929	2.0
129.01909	1.0
134.68755	0.9
138.84218	0.9
141.64192	0.9
152.99612	1.9
175.02545	1.3
231.05098	0.8
249.06215	7.5
255.23331	98.1
505.30301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3026
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
51.35685	0.6
56.67391	0.6
59.01385	9.0
61.98823	1.3
71.01379	8.9
72.99313	1.5
73.09062	0.6
74.54529	0.6
75.00865	10.8
77.83804	0.7
83.01425	0.7
85.02943	12.8
87.00858	3.8
89.02434	3.0
95.01358	4.4
96.95958	1.0
99.00894	7.9
103.00323	0.9
113.02444	17.2
115.00384	0.8
117.01926	2.7
129.01942	1.2
175.02473	1.0
194.45532	0.8
249.06059	1.2
255.23320	76.4
261.85992	0.7
267.07205	3.6
505.30237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3175
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
51.40901	0.6
57.03452	1.1
57.99694	0.7
59.01372	1.2
71.45107	0.8
82.65645	0.8
94.93687	0.7
98.89773	0.8
102.35744	0.7
110.63281	0.8
110.86345	0.7
111.08198	0.7
115.57292	0.8
120.97893	0.9
149.06071	1.0
150.06862	18.1
153.09200	0.8
162.06868	44.9
163.07617	8.7
169.12318	0.9
171.10257	0.9
176.08380	6.8
177.09206	31.4
205.12312	3.7
245.15601	1.2
263.20197	7.8
281.21240	14.7
327.21759	31.3
419.21552	1.0
423.62677	0.9
426.27859	10.3
428.29321	1.4
441.30237	7.5
487.30682	17.7
505.31836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07675	0.8
55.12664	0.9
57.81641	1.0
59.01389	1.0
65.66103	0.9
66.86529	0.9
67.29136	0.8
74.12054	1.0
77.17695	0.9
79.60033	0.9
86.28399	1.0
97.02944	1.0
109.14063	1.0
139.16489	1.1
175.11377	1.0
201.09204	2.5
203.83499	1.2
225.09204	1.9
227.10829	1.2
239.10971	1.6
240.11632	2.0
241.12410	1.8
253.12445	1.5
254.13150	6.6
255.13885	2.0
267.13950	2.1
268.14731	1.7
269.15408	5.9
281.15463	1.8
308.17938	1.4
309.18668	1.7
322.19431	4.9
323.20200	9.4
324.20898	18.8
335.20047	2.2
337.21753	1.6
338.22534	1.7
339.23419	1.3
348.43631	1.2
350.22458	2.2
353.85364	1.4
377.24857	5.8
392.27237	15.3
446.31976	20.5
461.34323	100.0
505.33398	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34314	0.9
59.01389	1.0
59.97744	0.9
71.96082	1.0
92.56842	1.1
148.12099	0.9
176.07021	1.2
191.98778	1.1
199.07736	4.1
203.10786	1.9
215.10699	1.3
219.00740	1.0
227.10835	5.1
238.10202	1.1
240.11557	4.6
241.12317	9.5
254.13176	16.4
255.13950	2.6
267.13904	4.8
268.14624	2.4
269.15494	20.0
270.16278	1.8
281.15521	9.2
295.16870	1.1
310.18884	1.1
323.20081	8.1
324.20996	25.8
337.21738	5.3
339.23627	1.2
349.21948	1.2
392.27237	26.9
461.34311	100.0
505.33496	6.1
531.78345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38442	1.5
56.78512	1.7
57.01267	1.7
59.01381	96.2
60.09238	1.6
60.20487	1.5
61.98825	3.9
103.50131	1.8
107.09562	2.0
151.07553	2.2
152.99620	2.5
211.47607	2.1
269.24905	2.8
273.22238	2.6
299.23767	3.6
309.33228	2.0
376.42575	2.0
391.30093	2.8
407.29587	31.5
425.30588	47.6
427.32144	23.9
445.33255	100.0
488.00162	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1826
Annotation	Hygrocin B
Peak:m/z	Relative Intensity
61.98832	3.8
63.96891	2.4
64.06422	2.2
68.99802	5.1
72.23775	2.3
73.25856	2.3
85.67295	2.2
124.76106	2.3
145.13530	2.7
157.40726	3.5
157.78551	2.9
160.04010	3.1
162.05600	3.0
164.38632	2.5
175.04019	5.7
184.60371	3.0
188.03519	35.2
190.05107	63.1
204.39322	2.6
241.08736	15.9
271.13419	6.1
272.12946	5.4
375.07620	20.2
376.08075	5.0
390.09872	6.5
432.14444	19.5
462.19296	100.0
506.18085	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1825
Annotation	Hygrocin B
Peak:m/z	Relative Intensity
52.75440	1.0
68.99799	5.3
69.95993	1.1
78.75174	1.1
85.84077	1.1
92.22486	1.8
103.77444	1.2
108.02171	18.2
109.02934	2.1
123.00860	5.0
123.04521	18.3
132.02170	1.3
135.04524	3.0
147.04605	1.8
148.05281	18.7
150.03218	10.8
151.03923	1.4
159.92091	1.3
161.02391	2.2
162.03194	8.2
162.06810	2.6
163.03973	2.6
163.07523	1.3
163.25485	1.4
177.05597	16.4
177.50420	1.1
178.02716	36.1
178.05052	21.3
179.01831	1.2
180.04211	2.6
188.04836	2.1
190.05057	1.9
192.06659	2.6
193.05054	35.4
218.04575	1.2
249.94778	1.3
297.10126	21.3
299.09891	1.3
299.12881	9.6
312.12421	52.0
313.10846	2.2
331.87753	1.5
352.11978	8.1
364.11942	6.0
462.19174	3.0
476.17047	16.6
488.17444	8.7
506.18210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72232	1.5
61.98826	9.0
63.40052	1.6
67.91221	2.0
78.95895	3.3
81.63950	2.2
84.67722	1.8
106.06631	2.0
108.08160	2.5
134.06123	25.6
136.07680	100.0
180.06670	3.1
215.11911	9.4
238.08846	1.8
241.13522	2.4
253.09828	6.6
263.08105	2.1
264.76712	1.7
265.06198	2.4
265.09912	3.1
266.07013	8.6
267.34509	1.8
278.06909	2.6
279.07809	4.0
279.11359	4.1
280.08643	2.9
281.09332	53.6
283.10977	14.8
293.09366	37.1
294.09940	2.4
295.10931	3.1
307.10812	2.0
313.11990	10.6
315.87103	1.9
338.12653	7.1
350.09869	1.9
386.15179	2.1
387.15857	3.4
400.13184	8.1
402.18539	13.2
405.92273	2.0
414.14673	2.0
415.15311	4.1
428.16388	2.9
430.17773	60.7
456.15591	2.9
462.20447	8.8
474.16748	67.8
506.19366	99.5
506.25299	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61542	1.2
55.38534	1.0
73.02950	1.7
73.14751	1.3
84.95319	1.5
90.68042	1.4
93.79797	1.3
96.35825	1.5
97.05003	1.5
98.75335	1.4
104.88976	1.3
116.92841	7.4
117.01939	1.7
118.01460	100.0
118.02309	3.3
118.05080	3.1
118.79704	1.7
129.27783	1.6
151.39861	1.6
164.76709	1.4
178.22614	1.5
410.00632	1.7
440.74875	1.5
506.22528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45501	0.8
61.98832	100.0
70.49039	0.9
92.23108	1.3
109.00317	1.1
173.63515	1.0
194.51517	1.1
250.88661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49156	0.4
55.93897	0.3
62.26936	0.3
78.95902	11.0
84.30015	0.4
101.00291	0.4
146.89384	0.4
152.99571	3.0
158.68927	0.4
166.94635	0.4
168.04311	3.2
224.06978	7.5
242.08025	1.1
281.24890	100.0
384.40057	0.5
448.15454	0.5
506.32593	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3258
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
61.98832	0.9
65.37135	0.9
68.54244	0.9
69.71674	0.8
71.01343	0.8
73.99609	0.8
79.24148	1.0
152.85898	1.0
152.99597	1.6
154.02725	1.2
295.26443	100.0
506.32587	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3256
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
61.98842	0.8
62.05610	0.6
78.95892	8.0
95.42629	0.7
108.12022	0.7
152.99570	3.2
168.04320	3.0
224.06969	6.8
239.54733	0.6
274.72104	0.6
281.24890	100.0
506.32584	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05516	0.4
61.98842	4.8
61.99099	0.5
78.95912	8.8
79.95775	0.6
91.33062	0.6
96.96010	0.8
97.90251	0.6
101.30125	0.5
119.85944	0.5
122.63985	0.6
140.01208	4.7
148.56973	0.5
152.99596	1.4
196.03868	9.6
214.04889	1.4
309.28040	100.0
506.32581	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1152
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
71.01405	1.5
72.99305	11.2
74.57209	1.8
77.77039	1.7
107.25141	1.6
109.02957	18.8
123.04469	3.7
129.88156	1.8
133.01395	2.6
135.04538	47.2
139.04031	2.3
147.04527	9.0
149.02422	12.6
151.04034	12.8
151.24117	1.8
161.02426	9.9
163.04221	1.8
165.01942	3.1
167.70212	1.9
173.02434	2.0
179.03490	45.3
180.72968	1.7
191.03539	17.5
197.04550	15.1
229.05049	2.7
241.05052	7.4
243.06635	2.9
254.05899	13.5
255.06689	31.7
257.08255	11.5
271.06201	17.6
273.07669	2.6
283.06155	45.2
301.07211	23.9
345.06183	100.0
345.13425	8.4
492.54929	2.5
507.11685	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1148
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
59.01367	7.2
70.86365	1.4
71.01395	2.0
72.99300	5.5
85.02943	1.5
87.00874	1.4
92.23669	1.6
109.02256	1.9
109.02934	18.1
113.02448	2.0
123.04528	2.1
130.01569	1.4
135.04517	37.5
139.03972	3.1
147.00934	1.6
147.04501	5.9
149.02443	9.8
150.03171	1.9
151.04025	8.3
161.02440	8.4
162.84442	1.3
163.03995	1.6
165.01910	5.9
173.02469	1.8
174.03214	2.7
179.03510	33.7
191.03558	14.0
227.07202	1.7
236.47426	1.5
241.05119	6.7
243.06631	1.8
253.05104	3.2
254.05814	6.8
255.06641	27.0
257.08249	7.6
271.06149	12.8
272.42456	1.5
273.07965	1.9
283.06155	32.7
301.07227	24.8
317.64102	1.6
345.06198	100.0
400.27139	1.5
438.58127	1.7
487.85394	1.8
507.11554	25.7
507.19968	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1152
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
66.13391	0.8
72.99293	4.4
74.22845	0.9
109.02945	14.9
123.04534	1.4
131.03394	1.0
135.04529	38.1
139.04021	4.0
147.00925	2.0
147.04541	9.7
149.02484	11.1
150.03270	1.8
151.04018	11.6
161.02426	8.7
163.04173	1.3
164.39076	1.0
165.01944	4.9
174.03210	4.3
179.03517	31.4
179.38965	1.2
182.47234	1.0
191.03526	15.2
197.04510	2.3
229.05011	1.6
236.37404	1.1
239.07147	2.1
240.04266	1.4
241.05055	8.0
243.06529	1.4
253.05084	1.6
254.05794	7.3
255.06670	25.8
257.08337	7.3
271.06168	14.4
273.07657	4.1
282.05261	1.5
283.06146	32.7
300.06311	1.8
301.07199	24.7
327.05038	1.4
345.06189	100.0
345.85324	1.1
417.12253	1.2
428.45322	1.1
445.66632	1.1
507.11517	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55989	0.4
59.01392	0.5
59.53880	0.5
71.87299	0.4
72.23835	0.4
85.02944	2.3
87.00886	0.5
96.96968	0.8
108.02186	0.9
109.02931	3.1
114.01941	0.8
115.84613	0.5
131.04626	2.2
131.06070	0.5
135.62285	0.5
152.01170	5.2
153.01927	12.8
191.05620	100.0
205.86397	0.5
248.10606	0.5
315.07266	15.3
395.09348	0.6
434.09985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10938	0.7
60.13454	0.6
68.29462	0.8
77.72049	0.7
78.95894	1.2
82.72762	0.9
85.02924	2.8
96.96970	3.0
97.79442	0.8
104.07374	0.7
108.02155	14.3
109.02964	6.2
113.03498	0.8
121.02956	1.0
131.04590	3.1
133.01421	0.8
151.03979	1.2
152.01149	27.9
153.01929	19.1
191.05624	100.0
315.07269	55.4
315.11053	1.4
489.14697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68125	1.2
57.03468	1.5
58.91476	1.4
61.70256	1.5
66.07435	1.2
72.99309	3.3
85.02955	8.3
92.23161	3.3
96.96946	3.0
101.02411	3.4
103.03996	7.8
129.01935	73.9
133.01425	2.2
135.04466	2.2
139.90163	1.4
147.02998	100.0
172.30815	1.6
174.54097	1.5
179.03429	7.5
181.05008	3.7
191.05652	8.2
197.04558	13.6
201.53207	1.8
359.09848	9.3
472.36465	1.9
507.15955	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
72.99312	3.7
73.47264	0.7
85.02959	9.2
93.78922	0.9
101.02438	5.6
103.04016	7.3
129.01944	83.4
135.04509	1.2
147.03003	100.0
161.06563	1.1
179.03523	5.8
191.05638	14.1
197.04544	10.0
253.97087	0.8
254.58087	1.0
359.09866	10.7
412.51276	1.0
429.80508	1.0
438.51907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68125	1.2
57.03468	1.5
58.91476	1.4
61.70256	1.5
66.07435	1.2
72.99309	3.3
85.02955	8.3
92.23161	3.3
96.96946	3.0
101.02411	3.4
103.03996	7.8
129.01935	73.9
133.01425	2.2
135.04466	2.2
139.90163	1.4
147.02998	100.0
172.30815	1.6
174.54097	1.5
179.03429	7.5
181.05008	3.7
191.05652	8.2
197.04558	13.6
201.53207	1.8
359.09848	9.3
472.36465	1.9
507.15955	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.4
71.01370	6.6
71.06503	0.8
72.99305	1.8
86.40314	1.2
89.02427	8.8
92.22351	1.1
101.02407	6.2
113.02435	4.5
119.03481	4.4
134.03737	8.5
135.04526	10.8
149.02428	2.4
149.06030	4.1
150.03223	13.2
151.03983	1.5
161.02484	8.7
165.05563	22.5
175.99614	1.5
176.01144	37.3
177.01981	7.6
178.02716	7.6
179.03496	1.3
180.04243	0.9
189.05556	1.4
191.03520	83.6
193.05081	16.9
195.03047	2.0
195.06630	3.7
209.04694	2.0
282.08896	2.3
315.10809	1.7
341.10217	7.9
349.18713	1.5
389.12231	4.6
399.72000	1.1
507.15103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32232	0.9
53.46899	1.1
59.01382	2.4
71.01373	2.2
89.02422	1.3
101.02419	1.4
121.02896	9.9
131.86565	1.2
134.03729	51.6
135.04460	1.9
137.02443	2.2
149.02435	7.4
149.06056	23.6
150.03220	37.2
164.04750	6.3
165.05563	100.0
178.02701	42.3
180.04254	7.5
193.05067	93.3
195.06619	26.9
199.90738	1.3
233.06110	1.3
234.07082	1.1
239.07193	4.8
250.06390	6.4
253.08649	1.8
254.09503	4.5
267.06485	4.0
272.97610	1.2
282.09003	26.3
336.38943	1.3
341.10272	37.8
389.12469	37.6
419.94730	1.3
507.15121	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.4
71.01370	6.6
71.06503	0.8
72.99305	1.8
86.40314	1.2
89.02427	8.8
92.22351	1.1
101.02407	6.2
113.02435	4.5
119.03481	4.4
134.03737	8.5
135.04526	10.8
149.02428	2.4
149.06030	4.1
150.03223	13.2
151.03983	1.5
161.02484	8.7
165.05563	22.5
175.99614	1.5
176.01144	37.3
177.01981	7.6
178.02716	7.6
179.03496	1.3
180.04243	0.9
189.05556	1.4
191.03520	83.6
193.05081	16.9
195.03047	2.0
195.06630	3.7
209.04694	2.0
282.08896	2.3
315.10809	1.7
341.10217	7.9
349.18713	1.5
389.12231	4.6
399.72000	1.1
507.15103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1512
Annotation	6'-O-(p-Coumaroyl)-procumbide
Peak:m/z	Relative Intensity
62.98974	0.5
71.48621	0.5
72.99297	3.8
92.10645	0.6
101.03335	0.7
108.52854	0.6
113.24041	0.7
119.05017	14.2
134.50749	0.6
135.04518	15.0
163.04004	43.4
181.05070	100.0
216.16589	0.7
325.09311	3.2
333.06372	0.7
344.85318	0.7
355.13586	0.8
383.77069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16217	0.8
59.01379	2.4
61.27636	0.9
63.98011	1.0
71.01390	2.4
73.02934	1.2
101.02415	1.5
113.02377	1.3
123.00864	12.9
124.01648	15.4
138.03233	11.6
139.03999	10.8
145.02965	1.2
149.02417	5.3
150.03239	2.1
163.03986	1.9
164.04820	11.6
165.05522	1.5
175.00308	5.2
176.01137	6.4
179.07169	1.4
189.05573	1.6
190.02731	63.1
191.03531	9.3
205.05066	73.9
208.03720	1.5
209.04553	1.4
223.06100	6.9
229.90352	1.2
337.09402	1.9
353.08981	2.1
367.10428	7.8
387.30109	1.3
421.62320	1.2
432.92856	1.3
451.34900	1.2
453.77820	1.3
507.15125	100.0
507.27328	5.0
527.80267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77897	0.9
57.39431	0.8
59.01367	1.0
71.01373	4.7
73.02937	1.0
81.36961	1.0
85.12232	0.9
89.72669	0.9
101.02445	4.1
105.97585	1.1
113.02407	1.2
117.03459	1.1
119.05047	1.1
123.00877	7.3
124.01662	12.2
135.04520	1.1
138.03218	6.3
139.02979	1.5
139.04013	14.7
139.33688	1.0
145.02945	26.0
149.02391	5.9
161.04529	1.2
163.03943	2.4
163.46967	1.1
164.04770	13.2
175.00365	7.0
189.05507	1.2
190.02745	74.3
191.03490	7.1
205.05080	84.1
223.06099	4.9
367.10388	12.1
409.15118	17.3
475.78738	1.2
497.85208	1.0
507.15063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81644	0.4
57.03456	0.7
66.86088	0.5
71.01360	0.5
75.00868	20.3
79.81385	0.5
87.00863	0.7
99.00916	0.7
101.02494	0.7
105.01946	0.6
129.01935	8.5
147.02997	2.7
165.04045	100.0
448.60107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01364	0.6
59.74018	0.5
60.12759	0.7
61.59388	0.6
71.01411	0.6
71.49422	0.5
75.00869	18.4
76.76263	0.6
85.02961	0.8
86.53799	0.5
87.00871	0.7
87.89363	0.6
92.22449	1.1
99.00862	0.9
102.11373	0.6
109.02911	1.0
129.01955	7.8
131.04630	0.7
147.03000	3.8
153.01854	1.1
165.04044	100.0
179.03484	0.7
191.05611	17.2
197.04581	2.3
240.59923	0.6
315.07401	2.0
325.03012	0.6
345.06244	0.7
463.73370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20578	0.9
56.41384	0.9
56.63054	0.8
57.43621	1.1
84.44045	1.0
118.88647	1.1
122.06113	1.5
124.07699	10.1
124.13210	1.1
132.04556	28.7
133.05334	30.9
134.06087	4.2
165.04225	3.7
176.03514	1.9
177.04347	11.3
178.05080	2.5
195.28517	1.0
209.03424	1.9
214.12315	1.2
215.11903	6.1
229.09889	2.6
240.10313	1.6
241.09836	2.0
255.11382	1.5
257.12985	41.8
279.46063	1.3
283.10828	18.1
295.80093	1.0
301.11957	23.6
345.10941	100.0
507.16199	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.1
122.03750	2.3
122.06140	1.5
124.07645	9.3
132.04547	28.3
133.05359	30.9
133.06354	2.0
134.06079	4.1
135.51614	1.0
138.54588	1.1
150.05560	1.1
165.04335	6.4
175.07648	2.5
176.03560	1.7
177.04315	9.8
178.05074	2.5
209.03383	2.4
214.12311	1.7
215.11900	7.2
225.11366	2.5
229.09848	2.1
241.09875	4.2
257.12964	40.9
257.15488	2.0
283.10910	17.3
301.12018	20.6
315.12430	15.3
345.10834	100.0
446.90030	1.2
507.16190	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23390	0.8
57.06005	0.7
59.01381	2.3
60.36943	0.8
64.75979	0.9
70.13961	0.8
71.01388	2.3
81.84058	0.9
85.02955	1.1
85.37672	0.8
87.00874	4.9
89.02424	1.2
101.02464	1.6
104.93159	1.1
113.02446	1.1
122.06181	0.9
124.07645	9.4
127.81280	0.9
131.57193	0.8
132.04549	25.8
133.05331	20.8
134.06117	2.0
150.05632	1.2
151.66568	1.1
165.04324	9.5
176.03548	1.5
177.04305	11.4
178.05110	2.4
208.29457	1.0
209.03302	4.6
211.06787	4.0
212.07539	1.2
214.12349	3.6
215.11874	4.3
229.09830	3.6
241.09773	2.0
249.12514	1.0
255.11559	1.1
257.12964	37.8
283.10883	18.6
301.12076	16.3
303.77014	1.2
327.09732	1.7
345.10919	100.0
349.18414	1.4
498.51596	1.3
507.16135	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07819	0.5
59.01371	2.1
85.50926	0.4
98.54327	0.5
116.92802	0.7
122.06126	0.7
124.07675	8.6
132.04550	26.0
133.05331	27.4
134.06122	3.4
150.05585	0.6
165.04285	5.5
165.05490	0.7
176.03545	0.7
177.04318	10.5
178.05112	2.9
186.09277	0.7
209.03358	1.3
214.12454	2.4
215.11905	5.9
215.71152	0.6
229.09834	2.4
230.11789	0.7
240.10358	1.2
241.09868	2.2
255.11421	2.5
257.12982	39.1
273.08780	0.6
283.10913	18.4
285.08588	0.6
301.11945	20.1
315.60980	0.6
327.09601	1.0
345.10944	100.0
373.71234	0.6
507.16220	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32372	0.3
51.14779	0.3
56.67383	0.3
59.01382	0.5
69.07683	0.4
85.02954	3.1
85.86673	0.5
90.46306	0.4
93.03469	0.8
111.04484	0.4
127.03988	0.7
142.69365	0.4
153.02046	0.5
173.04524	0.7
183.06749	0.5
191.05635	100.0
212.84564	0.5
524.22278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71987	0.3
56.16932	0.3
59.01362	0.4
71.01365	0.6
76.61945	0.3
77.42500	0.3
85.02955	1.9
87.00873	0.3
92.23049	0.4
93.03432	0.8
93.87475	0.3
127.04012	0.4
133.01471	0.4
139.05197	0.3
161.35016	0.3
166.02782	0.4
173.04488	0.5
181.05048	1.3
191.05621	100.0
200.13904	0.4
200.26697	0.4
305.42221	0.3
355.60339	0.4
386.00882	0.3
433.76096	0.3
496.11859	0.4
500.94443	0.4
507.23010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1873
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01366	3.1
62.19682	0.7
62.72870	0.7
63.84125	0.7
70.46172	0.7
71.01383	1.3
85.02926	1.2
90.96227	0.7
97.02956	0.8
101.02418	1.5
114.67467	0.8
117.03503	0.8
119.05013	75.8
145.01863	1.0
145.02951	21.8
163.04008	100.0
166.29593	0.8
175.04068	0.9
188.27545	0.7
206.15256	0.7
403.18826	0.8
454.36392	0.8
463.25620	0.9
507.18704	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83152	0.4
58.66026	0.5
59.01373	1.0
71.01369	2.5
72.83358	0.5
73.02966	0.5
80.52959	0.4
85.02972	0.9
88.35490	0.4
92.22526	0.5
101.02433	1.9
101.06073	0.5
101.23545	0.4
113.02459	0.9
117.03423	3.1
119.05030	5.8
138.95351	0.4
145.02951	100.0
161.04620	0.7
163.03989	12.0
168.98344	0.4
189.05573	3.5
205.05164	0.6
217.08754	0.6
298.69147	0.5
406.54166	0.5
409.15060	65.1
507.18692	2.9
514.59973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1876
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.40793	0.8
59.01379	16.4
71.01395	7.4
85.02956	2.1
89.02425	6.1
101.02419	5.5
108.02128	4.4
109.02949	1.9
113.02439	1.2
121.02892	1.5
122.03727	1.9
123.04498	5.3
135.04544	7.4
148.44473	1.0
149.88652	0.9
159.04544	2.0
160.05322	1.1
161.06068	5.3
172.05273	1.5
173.06073	10.2
178.08005	1.0
185.06099	1.8
187.07735	1.4
189.05560	1.6
190.06401	1.9
191.07166	10.8
203.07069	1.2
227.77652	1.0
258.99219	1.0
281.08020	1.2
282.09045	8.5
297.11343	29.7
315.12378	6.8
327.12326	8.6
345.13730	6.8
350.37256	1.2
415.41299	1.1
501.98694	1.0
507.18741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37965	0.4
59.01372	4.4
66.47324	0.5
71.01385	1.2
73.02943	1.0
75.00867	1.3
78.36944	0.5
85.02945	2.5
89.02462	2.4
93.03436	9.2
96.21551	0.5
100.43167	0.6
101.02429	2.5
103.03986	1.2
113.02423	1.1
117.03448	1.1
119.05015	7.4
129.09129	0.5
130.04234	1.1
137.02434	29.9
145.02950	25.3
145.06599	1.0
162.22755	0.5
163.03998	13.5
171.10306	0.7
189.05576	100.0
190.02690	0.9
205.05067	3.5
248.52455	0.5
303.21817	0.6
409.15073	22.4
447.26025	1.0
457.53424	0.6
465.26749	0.9
469.17224	2.7
471.17438	0.6
488.16910	0.5
507.19696	2.5
507.28046	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66985	0.4
59.01382	5.1
63.35271	0.4
71.01385	5.1
73.02968	0.5
76.54051	0.5
76.95299	0.4
79.37247	0.4
83.34843	0.4
85.02959	2.6
89.02448	1.9
96.25047	0.4
98.53903	0.5
101.02431	3.1
113.02429	1.1
117.03455	3.6
119.03463	0.6
119.05022	6.4
121.02924	0.6
123.00871	3.0
124.01662	5.9
138.03249	2.1
138.88847	0.4
139.04005	4.2
145.02953	100.0
147.04564	0.6
149.02446	2.3
152.01173	0.7
161.04570	0.7
162.03178	0.4
163.03999	11.2
164.04800	5.8
175.00374	2.5
179.07239	0.6
180.48849	0.4
189.05563	3.9
190.02733	28.1
191.03513	1.8
205.05072	32.8
214.64267	0.5
223.06099	2.4
367.10349	3.1
409.15103	57.8
507.14966	32.5
507.24167	1.7
514.68042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.188
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01384	18.8
63.19799	0.5
71.01389	8.2
72.99303	1.0
75.00866	1.2
83.01379	0.6
84.51720	0.6
85.02944	2.9
87.00868	2.8
89.02437	6.8
95.01444	0.8
96.96022	1.6
101.02444	7.5
113.02488	4.9
113.37260	0.6
119.03487	1.1
121.02959	0.8
122.03733	6.4
123.04510	1.4
147.83546	0.8
164.04837	2.6
166.34947	0.8
190.02728	3.7
197.04597	2.9
205.05086	10.2
223.06206	0.9
297.11282	3.9
315.12488	7.8
327.12399	11.8
345.13492	71.7
390.57867	0.8
469.17081	10.4
471.17761	1.2
477.17767	0.8
507.18799	100.0
507.27698	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23923	0.5
55.79217	0.4
59.01380	5.4
60.60282	0.5
62.54758	0.6
63.60049	0.4
64.53960	0.4
71.01373	2.3
75.00909	0.6
75.39146	0.5
85.02927	0.7
89.02440	3.9
101.02451	3.1
102.94797	0.6
102.98487	0.5
103.04036	0.6
103.55996	0.5
104.56462	0.5
113.02409	1.2
115.03980	0.8
117.03442	0.9
119.05032	2.5
126.76323	0.5
130.04289	0.9
145.02954	28.6
145.06493	1.0
145.20038	0.5
153.89465	0.5
163.03979	3.7
189.05586	100.0
275.14413	0.6
276.40411	0.6
349.18665	4.0
409.15091	16.7
436.99872	0.6
507.18610	2.5
514.84692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15615	0.4
53.17249	0.4
57.62458	0.4
59.01381	4.8
59.34720	0.4
62.38691	0.4
65.34646	0.4
71.01371	2.8
73.53223	0.4
85.02962	0.5
89.02421	1.6
101.02444	1.8
113.02431	1.8
119.03475	0.9
120.99643	100.0
137.91559	0.4
141.58052	0.5
260.19275	0.5
261.73465	0.5
349.18729	7.5
507.19119	15.2
507.26645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.201
Annotation	Mortonin D
Peak:m/z	Relative Intensity
50.41326	2.2
52.32053	2.1
58.24938	1.9
59.01384	13.4
62.89221	2.0
71.01391	5.8
75.00881	3.0
77.80954	2.3
85.02941	2.8
89.02440	15.9
99.00842	4.9
101.02452	9.5
104.16132	2.6
111.39258	2.8
113.02448	5.3
116.49086	2.4
119.03448	2.7
123.93740	3.0
128.92580	2.4
132.66634	2.9
168.96718	2.3
169.18338	2.9
211.44643	2.5
315.17996	4.2
447.22534	26.6
463.25827	3.2
471.22382	10.4
507.20175	100.0
507.27655	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	96.3
60.14412	1.3
62.32578	1.6
71.01386	2.6
88.74895	1.8
91.60227	1.6
98.31752	1.5
101.02441	1.8
103.08786	1.7
105.01915	3.2
110.80674	1.8
113.84914	1.8
161.04546	2.7
181.05054	18.7
196.07417	82.9
199.54823	1.6
211.09775	100.0
226.86263	1.6
235.08162	3.4
315.12381	7.7
405.71039	1.8
447.18835	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49423	1.8
58.79343	1.9
59.01385	45.6
71.01361	19.0
73.02941	14.6
82.95437	2.9
85.02937	9.2
85.78142	2.0
89.02445	10.7
96.80527	1.8
98.65521	2.1
99.00877	10.1
101.01818	3.5
101.02415	28.9
113.02422	13.6
154.49004	2.1
159.02945	2.7
161.04553	11.0
163.03970	2.1
289.16681	16.3
297.24759	2.2
315.18192	8.1
373.51602	2.6
421.20755	9.9
437.79755	2.3
447.22137	27.8
463.15442	4.2
463.21957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
80.71936	0.5
90.71059	0.7
93.03446	33.7
119.05039	1.2
119.64606	0.7
130.04269	0.8
137.02441	100.0
145.02960	12.7
145.04071	0.8
163.04019	3.2
163.97208	0.5
189.05579	52.2
409.15057	8.7
469.16937	1.2
507.28033	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25139	0.9
57.29466	0.8
59.01099	1.6
59.01382	29.4
71.01379	26.5
73.02932	7.1
83.01371	1.1
83.45860	1.2
84.63402	1.0
85.02946	5.3
87.00874	1.8
88.98811	13.5
89.02436	60.8
99.00881	12.9
101.02429	25.7
113.02448	9.8
119.03529	2.3
125.02417	1.8
126.31634	1.0
131.03479	8.2
149.04549	15.5
161.04547	7.4
191.05608	6.7
251.07939	1.9
311.09946	1.3
315.18237	4.7
327.53613	1.0
439.12741	1.1
447.22382	100.0
507.28735	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49429	0.8
57.03430	0.9
57.97563	4.7
59.01382	45.7
66.87558	0.8
71.01379	28.4
73.02934	7.9
83.01368	2.2
85.02937	9.9
87.00862	0.9
89.02439	8.4
95.01402	1.4
99.00886	3.3
101.02433	27.6
113.02438	18.0
119.03487	1.2
135.48528	0.9
143.03505	1.3
161.04579	12.9
187.13458	5.4
250.39081	1.0
263.11420	6.6
327.08759	1.0
348.88449	0.9
349.18713	100.0
378.65225	1.0
432.12936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74644	3.6
53.51710	3.7
59.01384	100.0
63.49899	5.5
70.51321	4.3
71.01383	27.2
89.02434	51.3
92.22479	4.7
101.02452	11.2
113.02394	9.5
119.03482	22.9
145.31213	5.7
148.71906	4.6
148.84593	5.3
161.04587	7.1
179.05605	32.0
187.21675	4.6
240.55708	4.8
349.15073	5.8
349.18707	45.5
443.14673	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61025	1.1
57.19032	0.9
59.01382	47.6
68.95230	1.1
71.01377	25.8
72.99271	1.7
73.02950	4.0
74.51437	1.2
76.73598	1.4
85.02943	8.0
89.02448	28.2
95.01393	2.3
99.00864	1.3
101.02435	23.1
111.00874	1.1
113.02435	16.1
119.03493	10.4
159.02968	1.5
161.04504	5.7
187.13422	6.1
214.13882	1.2
334.24118	1.3
349.18704	100.0
431.04590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41296	0.8
59.01380	5.4
59.75021	0.7
60.58364	0.7
71.01376	15.8
73.02949	7.9
77.37849	0.8
85.02943	5.9
89.02429	6.3
97.02938	0.9
99.00871	1.9
101.02436	22.4
113.02433	8.0
115.04010	0.9
125.02457	1.0
143.03502	1.6
153.59296	1.0
153.64906	1.1
159.02998	4.4
161.04544	21.6
233.06633	1.3
281.12793	1.0
315.18228	20.3
447.22421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41380	0.8
55.01868	1.0
57.03447	0.9
59.01379	24.9
63.99913	0.7
64.03326	0.9
70.70616	0.8
71.01375	42.5
73.02935	10.9
82.93686	0.8
83.01381	4.6
85.02938	14.1
89.02438	17.1
95.01365	1.9
99.00885	5.1
99.97836	0.8
101.02435	28.9
113.02446	21.9
119.03481	4.0
125.02401	1.3
141.33070	0.9
159.02995	3.8
161.04550	15.6
191.05794	1.0
219.81232	0.9
315.18121	22.5
447.22403	100.0
507.19501	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17704	0.7
54.74635	0.7
58.87766	0.7
58.96452	0.8
59.01382	38.7
61.09512	0.8
61.53124	0.9
71.01377	31.2
73.02943	7.6
76.75121	0.8
83.01394	1.8
85.02949	10.6
87.00887	0.9
89.02434	17.9
95.01353	1.0
99.00896	1.7
101.02441	22.9
113.02464	13.9
119.03517	1.1
119.04995	3.6
125.02438	1.2
131.03505	9.7
145.02959	4.5
146.37897	1.0
149.04572	1.9
161.04567	4.2
163.04021	4.5
169.82208	0.9
191.05560	1.6
315.18146	2.0
403.15839	1.2
409.15240	4.5
447.22430	100.0
507.28098	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75569	0.9
59.01383	63.7
65.25370	1.0
71.01377	31.2
73.02931	7.9
83.01355	2.4
85.02945	8.8
87.04507	1.1
87.38761	1.1
89.01941	1.9
89.02440	27.5
96.15275	0.9
99.00871	1.3
99.83689	1.0
100.15441	1.2
101.02437	27.2
110.15196	1.0
113.02454	17.6
119.03484	11.7
120.99644	57.1
127.75148	1.0
161.04573	7.9
176.81038	1.2
179.05598	4.3
215.02597	1.4
217.05948	1.1
335.20020	1.2
349.18723	100.0
353.66125	1.1
507.19098	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2603
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
61.98840	1.6
72.99301	48.5
76.43790	1.6
78.95899	2.7
79.49998	1.7
95.77587	1.9
96.95979	2.1
106.48241	2.2
113.63579	1.9
121.02905	3.7
122.03736	3.6
123.04494	11.9
134.03741	19.6
135.04500	2.6
137.02415	11.5
139.03975	2.5
151.03992	40.5
152.99574	7.6
172.38664	1.8
178.02711	20.9
179.03482	10.3
197.04591	11.6
253.29704	1.9
268.52628	2.2
293.21231	2.2
507.25995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2602
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.87623	1.9
59.01373	2.7
64.78863	2.1
72.99306	68.3
75.74100	2.2
78.95905	3.6
93.88995	2.7
96.96005	2.7
113.44848	3.0
123.04520	16.2
134.03729	19.3
135.04512	3.6
137.02431	18.7
139.04041	3.1
151.03998	40.2
152.99579	14.8
178.02679	25.1
179.03517	14.3
195.06339	4.5
197.04565	26.1
197.73775	2.5
285.15048	5.5
311.36862	2.4
396.82520	2.4
396.88348	2.4
507.25742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00655	0.5
57.61969	0.5
58.82476	0.4
62.64405	0.4
64.27964	0.5
71.40278	0.5
78.33686	0.4
78.95901	7.1
79.47517	0.4
87.35210	0.5
96.96925	0.7
107.15356	0.5
107.77866	0.6
152.99580	28.1
171.00563	1.9
176.72881	0.5
196.89481	1.2
200.07288	0.6
227.03276	2.5
245.04224	0.7
279.23306	100.0
385.24564	0.6
507.27301	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21144	0.5
61.32098	0.6
65.14116	0.6
66.66618	0.7
73.40367	0.7
78.66797	0.7
78.95893	8.8
89.08868	0.8
110.27471	0.7
110.77399	0.6
141.72546	0.6
152.99580	26.6
171.00591	1.1
196.89427	3.0
217.13814	0.6
227.03230	1.4
229.74542	0.7
279.23300	100.0
297.69595	0.7
482.97040	0.9
488.31454	0.8
507.27277	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35909	0.4
56.59780	0.4
59.01352	0.5
66.37321	0.4
66.50751	0.5
70.46260	0.4
78.95908	3.1
81.12180	0.4
81.48071	0.5
84.94732	0.4
93.43146	0.4
94.88506	0.4
101.41541	0.5
152.99574	9.6
167.15877	0.5
171.00679	0.7
245.04253	0.8
279.23315	100.0
478.47263	0.7
507.27319	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28516	0.4
54.60450	0.5
60.07838	0.5
63.29193	0.5
78.95905	5.6
92.22568	0.7
99.54274	0.6
152.98315	0.9
152.99580	27.7
157.32489	0.6
168.60162	0.6
171.00662	1.3
227.03253	2.3
230.06793	0.6
251.62700	0.6
279.23309	100.0
507.27304	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88642	0.7
60.56445	0.7
78.95898	7.6
116.20008	0.8
144.33914	0.9
152.99583	32.4
153.23032	0.8
171.00694	1.0
180.74153	0.8
186.71469	0.8
197.49492	0.9
198.60310	0.9
227.03383	0.9
279.23303	100.0
507.27325	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87279	0.6
78.95890	8.9
80.83646	0.8
123.18539	0.7
152.99586	33.4
171.00668	1.7
179.89619	0.7
227.03365	1.8
262.60641	0.7
279.23315	100.0
334.24146	0.8
451.96216	0.9
507.27332	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
61.50285	0.5
78.95908	3.6
96.97003	0.5
109.90857	0.5
152.99585	9.7
171.00665	0.6
190.68230	0.5
245.04448	1.8
279.23318	100.0
389.47546	0.6
507.27298	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98831	27.8
68.85386	3.0
90.59161	3.4
117.03468	4.5
119.05016	14.5
145.02946	100.0
145.04083	4.5
152.99580	7.8
153.12788	5.2
163.04016	28.3
174.91460	3.6
197.11748	12.0
199.13426	4.3
220.31004	3.3
248.74164	3.2
266.55490	3.3
267.19589	5.4
287.22495	10.1
311.18741	3.3
385.22388	18.4
415.24936	16.2
433.25784	4.0
471.29382	5.2
507.29617	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93811	0.6
66.62429	0.7
78.95906	6.8
85.20038	0.7
152.99586	35.5
171.00639	0.9
184.98999	0.7
186.43405	0.8
194.50595	0.7
227.03326	3.2
245.04337	1.0
255.85942	0.8
279.23309	100.0
400.35550	0.8
414.29312	0.7
448.79990	0.8
507.27332	85.3
515.09955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71325	0.4
59.97472	0.4
60.53172	0.4
61.20455	0.4
63.16700	0.4
76.11122	0.4
76.44306	0.5
77.31143	0.4
78.95900	35.3
81.00061	0.4
96.96955	3.1
108.41979	0.5
127.05334	0.5
146.09908	0.4
150.98001	0.8
151.94708	0.4
152.99585	100.0
162.15524	0.4
171.00659	2.8
171.10289	1.0
185.81755	0.5
190.56047	0.5
255.23355	4.0
287.39288	0.5
409.23636	35.3
430.98892	0.5
507.27188	20.0
507.33472	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94986	0.7
62.14629	0.7
68.48630	0.6
69.96513	0.6
70.02055	0.6
73.20265	0.6
75.54768	0.8
78.95901	31.6
89.68914	0.7
96.95994	1.1
96.96951	3.5
117.18585	0.8
122.49020	0.8
152.99586	100.0
171.00735	2.5
190.09947	0.9
234.38383	0.7
255.23285	4.9
383.16849	0.7
409.23611	35.5
507.27133	12.1
507.33112	1.2
531.78387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63629	0.8
59.01390	1.5
71.74194	0.8
77.51149	0.9
79.95728	27.0
80.96531	7.0
96.96006	11.6
107.71239	0.9
153.12888	3.9
167.14374	1.2
196.13388	1.0
197.11819	5.0
198.14958	1.3
201.14952	2.3
205.41730	1.0
211.13464	3.6
214.14505	52.5
215.12976	1.5
228.16052	35.2
229.14621	1.1
278.07651	1.7
278.10709	60.3
292.12280	100.0
294.10202	2.3
351.28983	0.9
384.97647	0.9
507.27664	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20772	1.5
55.47573	1.3
55.53058	1.4
59.01384	100.0
66.97424	1.4
71.01375	11.4
73.02946	2.2
82.37418	1.8
82.92205	1.7
83.01392	3.2
85.02956	7.9
87.00859	2.0
89.02434	37.6
90.20303	1.8
93.03455	3.5
101.02437	11.0
105.01932	1.6
108.02145	1.6
113.02431	7.5
128.63089	1.6
137.02405	14.6
138.02756	3.4
161.04568	3.2
190.02704	2.0
205.05089	2.2
211.13423	2.1
285.20679	2.6
367.94333	2.0
447.26077	80.8
507.19208	2.6
507.27899	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87019	0.5
59.01381	2.9
61.98840	6.9
62.61465	0.5
83.01387	55.1
87.04509	3.3
88.98813	1.1
89.02429	1.2
95.01408	0.9
131.03497	4.7
185.11821	1.7
211.09589	0.7
263.48712	0.7
277.21753	100.0
309.66068	0.7
323.41345	0.7
357.68002	0.7
359.02951	0.8
371.22711	0.7
492.88593	0.8
507.28925	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99614	1.3
55.43977	1.6
57.03454	2.2
59.01376	2.0
71.19894	1.4
75.00867	2.0
75.83556	1.5
79.95760	1.9
89.02437	2.9
90.54231	1.5
92.82590	2.1
92.92048	1.6
96.96001	7.4
171.10274	100.0
185.11848	2.5
205.65097	1.8
251.05951	51.7
255.23305	28.1
277.21805	19.1
310.90613	1.9
314.24921	1.8
499.67987	2.3
507.33118	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81429	0.4
77.66220	0.6
79.95720	4.0
80.96460	0.4
96.96009	10.5
98.53167	0.5
101.52608	0.6
110.00566	0.6
115.18701	0.5
118.36454	0.5
120.98615	0.5
142.29955	0.5
143.07721	0.5
161.11467	0.5
171.10271	100.0
175.52014	0.5
175.53763	0.6
176.49124	0.6
198.03169	0.5
232.29129	0.6
251.05966	51.5
255.23312	28.2
285.68564	0.5
287.13943	0.6
296.26794	0.7
335.18997	3.7
357.78125	0.7
507.23575	0.7
507.32129	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84018	1.0
54.93744	0.9
79.95760	2.2
92.22517	1.5
96.96021	13.9
115.44141	1.0
117.13868	1.1
147.45454	1.1
169.12408	1.6
171.10269	100.0
199.47414	1.1
251.05948	54.3
255.23306	30.8
282.79547	1.3
311.22235	5.9
335.18997	6.9
463.27847	1.4
507.32501	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68843	0.4
52.33759	0.5
71.58501	0.5
74.46699	0.7
79.95739	26.4
80.96516	16.7
85.13629	0.5
86.49934	0.5
96.96005	30.6
104.22311	0.6
109.69007	0.6
121.18746	0.5
171.47063	0.5
208.13524	0.6
236.53828	0.6
236.87083	0.6
253.21750	72.0
373.31186	2.4
425.34192	1.2
507.31531	100.0
509.52737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48315	1.1
54.73375	1.1
55.99868	1.2
61.87511	1.1
64.96902	1.2
65.08486	1.1
65.58754	1.1
74.90361	1.0
79.95732	27.7
80.96501	21.4
85.30798	0.9
96.95997	31.0
99.89825	1.4
101.91708	1.4
124.44176	1.1
204.05353	1.4
245.68523	1.3
267.51279	1.4
291.74390	1.3
373.31238	1.6
425.34149	1.8
507.31512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3342
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
54.03314	1.0
57.03435	0.9
57.48627	0.9
70.86557	0.9
80.26346	1.0
85.85537	1.0
106.59568	1.0
145.02907	1.5
150.06866	15.0
152.99519	1.3
162.06865	40.8
163.07635	11.6
164.04242	1.1
176.08389	4.4
177.09207	34.7
212.06487	0.9
216.11435	1.2
220.77296	1.0
230.76161	1.0
241.84459	1.2
247.87366	1.0
265.21808	8.1
276.72995	1.1
279.22470	1.2
283.22818	4.5
287.20349	1.4
329.23416	34.7
428.29468	7.2
430.30942	1.8
443.31769	10.5
485.82431	1.3
489.32217	22.2
507.33405	100.0
508.98273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20808	0.6
59.01381	4.6
61.98835	100.0
71.01381	3.8
71.01735	0.7
73.02937	1.1
78.95911	1.1
81.82007	0.6
85.02951	1.3
89.02444	0.9
92.09622	0.5
101.02443	3.6
105.78077	0.6
113.02453	1.0
161.04628	0.9
163.03983	2.1
171.00598	0.9
279.55148	0.7
284.06494	1.0
285.06903	0.8
316.18387	1.3
448.22812	9.1
464.26102	2.2
508.24081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	69.9
59.01683	2.3
69.94635	1.4
71.84924	1.2
92.23116	1.3
131.88948	1.4
160.04054	14.9
162.72206	1.4
173.06027	1.9
214.12158	1.3
231.06575	2.4
300.06616	6.8
302.08237	7.6
314.08240	2.3
315.05447	1.6
318.07819	7.7
330.07779	53.8
330.11407	3.4
333.10104	5.9
344.09131	2.8
345.10110	6.6
348.12375	12.7
392.11429	31.9
404.11411	100.0
508.12390	8.4
508.28427	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.1
61.98829	1.1
63.54369	0.9
71.01379	1.6
73.02921	1.2
84.14469	1.0
85.02934	1.2
101.02431	1.3
153.00146	12.5
154.00981	1.6
162.05626	7.4
166.00967	2.3
166.08742	17.5
167.01755	4.8
175.09761	2.0
176.10042	1.5
177.07971	6.5
178.10439	1.1
181.03337	4.5
195.75497	1.1
196.04390	22.8
196.07965	1.1
197.05180	26.5
205.05133	1.5
205.07455	2.6
211.06750	100.0
212.07521	77.2
226.09096	28.8
300.09235	5.3
346.11072	1.7
361.13635	11.1
376.15955	24.1
420.14981	19.2
470.17365	1.5
478.79233	1.1
508.16608	81.5
508.28513	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49780	0.8
61.98832	100.0
64.29434	0.9
70.66847	0.9
73.89715	0.9
75.41389	0.9
83.45372	0.9
134.03777	1.9
135.04524	7.9
148.05264	16.2
149.02446	5.8
149.06013	2.5
150.03223	23.4
164.04689	1.9
165.05554	27.1
176.03490	1.3
177.04356	1.7
178.05118	19.7
188.59320	1.3
190.05136	4.3
195.06647	6.4
213.30318	1.1
223.20932	1.1
288.55591	1.1
297.10101	12.2
311.11682	3.9
312.12457	68.4
460.17700	23.0
490.19058	1.3
508.19998	20.5
508.27472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47850	1.1
58.77529	1.1
63.29800	1.4
63.71807	1.3
72.99304	51.5
89.56326	1.4
90.24445	1.6
92.62896	1.5
121.02962	1.8
123.04522	28.0
135.04526	33.0
140.78467	1.3
148.04063	17.8
168.95900	1.4
179.03516	47.2
179.09499	2.5
181.69937	1.5
197.04572	100.0
238.10973	5.8
287.64279	1.5
310.09348	12.0
494.72821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65329	0.6
59.01376	1.3
61.98833	100.0
68.00728	0.6
70.08352	0.6
77.36698	0.6
82.80995	0.8
92.09721	0.7
95.49811	0.6
101.02454	0.7
102.88607	0.7
109.02899	0.7
151.04016	4.0
189.05521	0.8
196.47905	0.6
260.12997	0.7
371.59613	0.7
404.80698	0.7
490.19003	4.9
508.20624	0.8
508.28583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05843	0.7
61.98832	100.0
72.99266	1.0
79.98701	0.8
88.03280	0.9
109.01082	0.8
135.04506	4.1
148.05287	14.8
149.02411	1.7
150.03215	20.6
158.81950	1.0
164.04796	1.1
165.05563	27.4
176.03568	1.1
178.05104	15.3
180.04337	1.0
180.36192	1.1
182.50500	0.9
190.05225	3.6
191.05983	1.0
195.06630	7.9
260.25369	1.0
296.14224	1.2
297.10202	6.7
312.12457	44.1
312.16135	1.6
460.17581	4.4
500.00058	1.3
502.03143	1.2
508.19833	7.9
508.27118	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12072	0.3
58.13766	0.4
59.01385	2.1
60.34118	0.4
61.98833	100.0
71.01385	0.8
79.55471	0.4
80.67663	0.4
84.99613	0.5
86.85612	0.4
86.88821	0.4
88.09800	0.4
89.02442	2.2
101.02416	0.8
178.56091	0.4
186.37192	0.4
228.87131	0.4
252.58437	0.5
380.33740	0.5
448.22693	3.6
481.68616	0.5
508.20731	0.9
508.27689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3409
Annotation	LPE(20:0/0:0)
Peak:m/z	Relative Intensity
52.37271	1.3
57.11160	1.3
58.76763	1.7
69.20170	1.7
78.95899	8.6
84.56702	1.5
101.73879	1.7
121.12799	1.7
140.01160	3.1
148.07739	2.0
168.92448	2.4
187.12148	1.8
196.03769	11.9
311.29578	100.0
398.29205	2.2
508.26624	2.2
508.34113	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3415
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
58.25402	3.3
79.78938	3.0
83.01394	28.3
83.22721	3.7
107.11041	3.5
109.58735	3.1
121.05807	3.1
132.39227	3.6
157.05003	8.2
255.23329	100.0
315.58865	3.8
413.29190	72.1
449.26529	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3417
Annotation	Daphnioldhanin I
Peak:m/z	Relative Intensity
51.27356	0.5
61.98838	1.1
75.71170	0.5
78.95900	8.8
93.74544	0.6
114.17379	0.7
115.92056	1.0
116.92860	2.6
119.61351	0.6
120.15552	0.8
151.96153	0.6
152.99548	1.2
168.04327	3.9
171.10294	0.7
191.31027	0.6
224.06905	6.6
242.07925	1.0
276.75262	0.6
283.26453	100.0
303.03763	0.7
307.30252	0.7
315.06430	0.7
398.22943	0.7
457.69345	0.8
508.20236	3.0
508.34155	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86317	1.2
55.01871	9.6
61.98819	1.8
65.87076	1.7
65.89592	1.4
72.31569	1.6
79.14664	1.5
82.96288	1.4
96.04535	27.7
106.36214	1.6
124.07676	3.2
133.78738	1.7
152.07181	73.3
157.08615	1.8
168.06706	2.8
170.08232	9.2
196.06165	60.1
202.74937	1.8
222.14148	1.8
250.92047	1.7
293.28574	2.8
508.36478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50001	0.7
66.03486	0.9
77.04323	0.8
82.93688	0.8
90.98682	0.9
96.04551	15.1
107.05046	1.4
111.84295	0.9
121.54218	0.8
122.06092	5.4
140.03549	3.4
140.07130	1.2
150.05606	100.0
168.06639	5.3
183.02112	0.9
212.05682	1.8
295.00018	1.0
300.07596	1.2
324.41360	1.0
490.35416	33.2
508.36505	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84355	0.6
71.01366	7.7
72.99290	2.5
73.04733	0.6
75.86935	0.5
89.02436	1.1
95.63476	0.6
105.56486	0.7
113.45121	0.7
115.00358	37.3
133.01419	100.0
214.07375	0.6
224.64670	0.7
265.43512	0.8
336.11243	1.1
377.11310	0.7
509.15646	3.8
528.85425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96428	0.5
59.73505	0.5
63.23753	0.5
71.01379	6.8
72.99296	3.5
74.39899	0.5
86.76447	0.6
88.68281	0.6
89.02438	0.7
115.00362	35.6
119.78386	0.5
133.01427	100.0
142.09790	0.7
179.64020	0.6
195.23402	0.7
236.67361	0.6
295.14609	0.6
344.90872	0.6
375.09424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30152	0.6
60.18361	0.6
64.49340	0.6
71.01366	7.1
71.27126	0.6
71.70972	0.6
72.99300	2.9
75.07291	0.7
89.02428	0.8
92.22535	0.7
106.32884	0.7
115.00360	36.3
133.01427	100.0
135.04605	0.7
138.73521	0.6
139.03958	0.7
179.03542	0.9
197.04541	1.1
373.54727	0.7
375.09293	0.9
439.73959	0.7
508.62561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30152	0.6
60.18361	0.6
64.49340	0.6
71.01366	7.1
71.27126	0.6
71.70972	0.6
72.99300	2.9
75.07291	0.7
89.02428	0.8
92.22535	0.7
106.32884	0.7
115.00360	36.3
133.01427	100.0
135.04605	0.7
138.73521	0.6
139.03958	0.7
179.03542	0.9
197.04541	1.1
373.54727	0.7
375.09293	0.9
439.73959	0.7
508.62561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1288
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
63.77023	0.4
71.01386	0.5
72.99327	0.5
78.95905	28.7
89.46936	0.4
94.52409	0.4
96.96057	6.4
96.96957	100.0
106.26839	0.4
118.05009	0.4
134.85884	0.5
167.03448	0.6
179.03574	0.6
189.44865	0.5
191.05553	0.4
197.04591	0.9
231.04802	0.5
382.60043	0.5
446.08646	0.5
509.12769	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96642	0.7
57.31901	0.9
59.01374	2.2
71.01367	0.9
72.99303	22.8
73.50934	0.8
75.00864	3.7
81.03465	2.0
82.23517	0.8
83.05022	26.2
85.58124	0.8
86.04633	0.9
87.00863	1.0
93.03439	1.4
96.96011	1.9
101.02456	1.3
107.64606	1.0
111.04519	28.5
115.03988	14.6
119.33643	0.9
127.04007	78.7
129.05583	9.2
137.02438	5.3
143.60291	0.9
151.04097	1.7
155.03503	53.4
158.05957	0.9
163.04149	0.9
171.02992	5.4
173.04659	1.1
189.04153	2.2
198.69888	0.9
199.02484	29.8
217.03546	100.0
291.08881	1.2
423.68695	1.1
509.23584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.68351	0.8
71.01384	1.5
72.99303	20.6
72.99687	1.0
81.03459	1.4
83.05025	21.5
93.03483	1.4
101.02454	1.7
109.02935	1.0
111.04510	25.6
115.03999	13.0
127.04012	70.7
129.05588	8.3
134.03737	1.1
137.02489	3.0
137.38655	0.9
145.02876	0.9
149.06102	1.6
155.03506	57.5
163.04039	1.0
171.02966	5.0
173.04527	1.3
189.04013	3.7
189.05591	1.1
189.34000	0.9
199.02505	24.1
217.03548	100.0
229.72466	0.9
250.67976	1.1
291.08765	1.3
315.34610	1.0
509.23761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.9
65.42172	0.9
71.01376	6.8
72.50574	0.9
73.02940	4.4
81.03490	1.2
83.05030	4.5
89.02433	9.6
93.03450	50.2
99.00857	1.9
99.04511	1.1
101.02430	5.0
103.03997	1.2
111.00886	1.6
111.04511	35.9
112.41393	1.1
113.02494	1.7
113.79829	1.0
114.91640	1.0
119.03495	2.1
137.02444	100.0
143.03528	1.8
149.23158	1.1
155.03503	54.4
165.04108	1.9
167.03474	1.5
173.04538	18.5
179.03535	1.7
191.05620	4.8
197.04568	1.2
317.08789	6.1
335.09866	80.1
346.27527	1.2
359.09784	1.3
426.31873	1.1
454.00629	1.4
455.59225	1.1
509.14624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92992	0.5
58.02370	0.6
64.39036	0.7
78.95892	6.6
91.63042	0.6
98.95637	0.7
116.92860	1.1
152.99550	5.0
178.88419	12.3
179.89220	3.2
180.18451	0.7
180.89969	9.3
188.90645	0.7
196.89500	100.0
281.24908	10.4
442.55505	0.8
444.17932	0.7
509.16135	32.5
509.27875	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48418	0.4
57.74110	0.6
62.96398	0.6
64.68594	0.5
67.48266	0.5
72.88846	0.5
78.95896	7.8
79.48186	0.5
91.08938	0.5
91.82018	0.5
92.23058	0.6
107.26630	0.6
108.93530	0.5
116.92808	0.6
149.44040	0.6
163.33403	0.6
178.88429	33.9
178.90019	1.1
179.89232	3.2
180.89996	12.2
191.95621	0.6
194.89943	0.8
196.89496	100.0
281.25058	0.6
371.78683	0.6
495.09390	0.7
509.16156	42.3
509.28271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34625	0.4
61.30676	0.3
75.39525	0.3
78.95886	8.1
79.23272	0.4
96.96944	0.5
97.11239	0.4
103.09416	0.4
116.92822	0.8
152.99487	0.6
177.40623	0.5
178.88426	24.3
179.89180	3.3
180.89987	9.4
196.89490	100.0
339.89310	0.5
384.68320	0.5
509.16147	35.0
509.29309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76423	0.9
59.01103	1.8
59.01383	36.3
60.36949	1.0
68.84168	0.9
70.85857	1.0
71.01365	4.3
72.99324	1.3
73.02934	1.1
74.68289	0.9
75.00866	1.4
83.94662	0.8
89.02403	1.9
91.05497	1.9
93.03454	4.7
94.86163	0.9
99.04510	6.3
101.02470	1.8
106.10941	1.0
111.04485	1.9
113.06117	1.0
115.71831	1.0
121.86100	1.0
123.56777	0.9
127.04012	1.8
135.04457	1.1
137.06055	1.8
141.07074	2.2
155.03566	1.6
191.16222	1.0
193.11464	1.0
199.02606	1.2
199.11324	1.2
205.05095	1.8
217.03513	1.9
231.17477	1.1
237.16516	1.8
253.16078	2.1
255.17598	14.7
257.15417	1.4
273.18710	4.4
281.15466	2.1
317.17654	12.3
361.16611	23.3
405.15656	4.7
423.16660	2.5
462.20612	1.2
465.17722	100.0
509.16354	1.7
509.23367	1.8
509.29767	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.2
59.01384	24.0
59.26841	0.7
59.61096	0.7
61.33279	0.9
61.93699	0.9
61.98830	1.4
65.30240	0.7
65.78734	0.9
71.01365	1.5
72.99290	8.7
73.02934	1.1
75.00876	3.2
78.55405	0.8
85.02911	1.2
91.00341	1.3
93.03454	1.9
99.04524	7.4
101.02435	1.5
109.80076	0.8
113.02389	1.2
116.50631	0.9
117.97134	0.9
118.01458	1.3
119.05032	3.6
145.02907	5.6
146.51012	0.9
160.12816	0.9
161.02592	1.0
163.03983	1.8
163.11349	3.6
197.09615	1.0
213.12775	1.6
223.74518	0.9
229.16031	9.4
243.17561	1.3
255.17586	15.3
273.14816	1.9
273.23230	1.0
299.16611	1.1
361.16641	36.0
363.14191	1.2
405.15628	17.7
423.16574	3.8
465.17679	100.0
469.61655	1.0
496.65576	1.0
509.16101	2.0
509.22745	1.7
509.29675	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01383	9.1
59.60182	2.4
63.81222	2.0
71.01378	81.7
72.99312	26.6
75.00832	2.3
77.82041	2.3
87.00875	39.3
92.88497	2.2
115.00345	24.1
129.01942	37.6
147.03001	100.0
245.70096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19812	0.4
59.01371	2.1
71.01385	0.7
85.02463	0.5
86.24256	0.5
89.02448	0.7
92.22517	0.7
101.02440	0.8
105.42871	0.5
113.02386	0.7
115.03965	0.6
134.03775	0.6
146.03758	0.7
148.01657	5.6
151.04015	1.9
161.02429	1.2
162.03226	3.2
162.46848	0.6
165.84628	0.5
173.02437	12.2
174.03252	5.4
179.03503	22.3
180.04251	1.2
186.43484	0.5
189.09210	2.7
194.02206	2.3
194.05862	15.5
216.07919	0.6
217.08708	100.0
227.41096	0.5
228.16927	0.6
241.08678	0.5
249.11328	0.7
296.66727	0.5
379.14291	1.1
411.20517	0.6
449.23181	0.6
476.52560	0.5
477.17380	16.0
491.22943	3.7
509.24048	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23312	0.8
59.01108	1.5
59.01382	34.3
62.74316	0.9
71.01376	15.3
73.02940	2.4
74.96620	0.9
83.01418	1.0
83.05023	2.6
84.02200	1.0
85.02943	2.2
87.00855	2.4
89.02443	18.1
101.02425	11.8
113.02426	6.3
113.06038	1.4
113.09698	1.3
115.00281	1.1
119.03472	5.3
123.08155	8.5
141.09207	13.9
141.71690	1.2
147.02962	1.3
187.06087	2.0
188.09666	1.1
189.11305	2.0
227.37044	1.4
273.04382	1.1
279.06378	1.1
322.18149	1.1
449.19690	3.3
509.22437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85222	1.0
57.14190	1.0
59.01384	38.4
69.02473	1.1
71.01378	12.0
73.02952	12.9
79.00646	1.1
84.14310	1.1
85.02941	6.7
89.02436	5.3
92.22527	1.3
99.00877	6.6
101.02434	30.8
113.02441	11.0
159.02945	2.6
161.04594	11.8
164.88512	1.3
199.30333	1.1
220.72301	1.3
291.18149	18.1
321.76062	1.3
423.22427	11.3
465.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73170	1.2
59.01382	13.9
71.01375	29.5
72.99319	2.7
73.02937	8.8
74.02374	1.1
75.00891	1.3
77.70667	1.3
83.01414	2.1
85.02969	9.6
87.00898	3.1
89.02447	12.2
99.00877	2.8
99.28866	1.2
100.42128	1.2
101.02439	36.4
105.17374	1.1
113.02456	19.1
115.98772	1.3
119.03484	2.4
121.02941	3.2
129.01967	2.4
143.03484	1.7
147.02988	6.0
148.92062	1.5
155.59041	1.3
159.02979	4.9
161.04568	26.5
161.60831	1.4
331.17657	24.1
372.88239	1.4
463.21942	100.0
479.19180	2.2
509.10956	2.4
509.19662	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.5
59.01376	2.9
64.45606	0.5
64.69870	0.7
71.01382	3.4
72.99310	1.1
73.02934	0.7
75.00882	2.3
80.96526	1.0
85.02944	2.2
87.00869	100.0
99.00932	0.7
101.02429	3.3
110.43001	0.5
113.02424	2.3
118.69873	0.6
125.02470	0.6
127.03931	0.6
134.03761	2.2
156.99330	0.6
161.04568	1.2
193.05185	0.6
279.18283	0.6
289.16827	0.9
421.20847	21.3
509.16025	4.1
509.28351	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.5
59.01376	2.9
64.45606	0.5
64.69870	0.7
71.01382	3.4
72.99310	1.1
73.02934	0.7
75.00882	2.3
80.96526	1.0
85.02944	2.2
87.00869	100.0
99.00932	0.7
101.02429	3.3
110.43001	0.5
113.02424	2.3
118.69873	0.6
125.02470	0.6
127.03931	0.6
134.03761	2.2
156.99330	0.6
161.04568	1.2
193.05185	0.6
279.18283	0.6
289.16827	0.9
421.20847	21.3
509.16025	4.1
509.28351	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
71.01383	1.2
78.95925	0.6
85.02916	0.6
89.02417	0.6
101.02461	0.8
131.26018	0.5
150.92784	0.5
151.04025	6.9
152.99586	1.2
158.65759	0.7
161.02383	0.7
162.03253	2.9
173.02449	1.1
174.03040	0.7
175.04039	0.8
176.04758	0.8
177.05550	0.8
179.03519	100.0
180.04341	8.0
189.09273	0.7
193.05008	0.7
194.05873	58.8
195.06699	6.9
217.08722	15.5
365.19272	0.6
375.18576	0.7
393.76974	0.6
477.21786	9.9
479.22702	5.3
491.22983	12.2
509.24130	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47518	2.0
52.72644	2.3
53.87183	2.5
58.82906	2.1
59.01382	13.9
60.14628	2.2
61.98824	3.3
71.01360	5.6
72.99293	5.6
78.42019	3.3
78.95898	4.6
85.91265	2.8
89.02438	4.3
97.55826	2.7
101.02446	5.1
111.00874	3.3
132.70093	2.7
132.82753	2.8
150.68517	2.5
151.03966	5.2
152.99550	10.6
179.03502	100.0
180.04329	3.3
185.71887	2.9
194.05847	66.8
195.06645	9.4
234.40356	2.8
261.07657	4.0
267.51559	2.5
269.51077	2.6
287.12756	2.9
317.19644	2.6
348.74210	2.4
449.23743	14.2
473.25967	3.7
477.21301	16.8
479.22922	4.9
491.22952	16.2
509.20963	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2394
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
56.40700	0.4
57.30190	0.3
58.18964	0.4
58.82979	0.4
58.83318	0.4
59.01381	4.5
61.98834	6.5
66.78931	0.4
69.34100	0.4
69.75748	0.4
71.01389	3.0
73.02934	1.8
83.01393	0.6
85.02925	1.8
87.00873	0.6
89.33069	0.4
96.95993	1.0
101.02456	4.0
109.45375	0.4
113.02419	2.1
124.97256	0.4
145.87663	0.4
148.62508	0.4
151.03995	0.5
152.99593	0.5
166.09814	0.4
174.87575	0.4
230.41373	0.5
254.93021	0.5
347.18677	4.5
355.12131	0.5
449.27878	3.1
491.19006	2.1
509.23975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2396
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
59.01384	10.2
64.79708	0.9
65.62432	0.8
71.01376	7.7
73.57955	0.9
85.02931	1.6
89.02441	9.6
92.23116	1.1
101.02420	5.5
113.02462	1.8
119.03459	1.7
123.79675	1.0
176.18451	1.0
205.41475	1.1
285.18533	4.0
303.19611	5.3
329.17599	86.7
347.18658	100.0
361.20245	4.8
366.53384	1.0
389.19675	9.0
449.22000	8.5
509.23914	81.5
533.31677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2398
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
59.01379	9.6
59.87348	0.5
61.98816	0.8
67.64587	0.6
71.01386	6.4
85.02937	0.9
89.02431	7.0
101.02428	4.7
113.02442	4.0
119.03486	2.6
121.06516	0.8
150.45436	0.7
179.05615	1.1
189.12849	7.6
209.88342	0.8
233.11836	4.2
261.31396	0.8
285.18552	1.7
303.19745	6.0
316.16956	0.7
329.14578	0.8
329.17596	77.6
347.18671	100.0
361.20401	6.1
389.19827	7.8
419.20981	1.1
449.21854	7.2
509.24036	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2398
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01872	1.0
57.03429	3.7
59.01361	4.4
61.98834	0.9
62.10316	0.7
68.54661	0.7
71.01386	7.0
72.99310	10.4
75.00872	27.6
83.01372	1.6
83.05020	7.8
85.02950	31.4
87.00850	1.6
95.01353	2.7
99.00830	4.1
108.02152	0.9
113.02444	19.4
115.00349	1.0
123.04472	1.2
134.03735	1.2
135.04451	1.6
137.02435	0.9
148.16652	0.7
178.02660	3.8
179.03510	7.1
188.08777	0.9
197.04552	6.3
209.10329	0.8
257.19128	1.1
259.20529	3.9
333.20575	3.9
345.77042	0.8
367.17480	1.1
405.22812	1.0
465.24615	3.7
509.23666	100.0
513.35162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11531	1.0
57.03440	1.7
59.01387	20.2
61.70250	1.1
71.01344	5.8
72.99299	10.4
85.02495	1.6
85.02945	33.3
86.44289	1.2
87.00845	5.4
92.22506	2.2
95.01354	4.7
103.00314	2.6
113.02444	33.4
123.04485	1.6
125.09614	1.7
129.01877	1.9
135.04459	1.7
165.05582	1.7
175.02481	32.6
179.03375	5.7
182.53145	1.6
197.04440	7.2
213.65816	1.4
289.21771	100.0
333.17410	1.8
333.20761	30.2
473.24985	5.7
495.16733	1.2
509.23532	63.9
516.71912	1.5
534.03180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03441	0.5
59.01379	22.5
59.96778	0.4
65.47126	0.4
65.78842	0.4
69.03461	0.6
71.01374	20.6
71.48512	0.4
72.99297	0.5
73.02941	7.5
74.22829	0.4
75.00857	0.8
83.01362	5.2
85.02940	10.2
85.82803	0.4
87.00846	0.8
89.02435	7.3
95.01388	1.1
97.02912	0.6
99.00858	2.6
101.02434	22.0
111.00892	4.9
113.02439	9.8
119.03484	2.0
120.99650	6.2
121.99974	0.5
122.99217	6.2
123.00034	1.0
129.01967	0.8
131.03532	0.7
159.02991	2.3
161.04570	1.1
235.36795	0.5
347.20807	3.1
348.13086	0.5
509.26068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
77.69447	0.4
78.95894	2.6
79.76427	0.4
85.60379	0.4
89.78345	0.6
111.72141	0.6
124.17356	0.4
146.07243	0.5
147.41881	0.4
152.99593	8.7
161.76553	0.5
171.00655	0.8
177.35931	0.5
247.99532	0.4
281.24872	100.0
360.25421	0.5
509.28909	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04729	0.5
77.70296	0.5
78.95905	2.9
91.36822	0.5
96.96963	0.5
106.66710	0.5
130.24622	0.5
152.98665	0.5
152.99605	8.7
187.77695	0.6
199.05569	0.6
281.24893	100.0
305.58530	0.6
509.28870	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52612	0.5
78.95909	2.5
126.42664	0.6
152.99567	7.2
157.03932	0.6
264.99918	0.7
281.24884	100.0
361.28912	0.7
422.14029	0.7
509.21335	1.7
509.28876	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08992	0.3
52.80957	0.3
73.17427	0.4
78.95914	2.9
100.75325	0.4
103.98038	0.4
116.92869	0.5
129.18886	0.4
133.95667	0.5
135.40002	0.4
152.99585	10.0
168.25508	0.5
171.00621	0.6
203.03363	0.5
204.07547	0.4
211.36844	0.6
227.14824	0.4
244.79918	0.5
245.04430	0.7
281.24884	100.0
509.28900	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47920	0.4
64.78075	0.5
69.58553	0.4
78.95894	9.5
143.73964	0.6
152.99593	28.8
171.00688	0.5
172.42062	0.5
196.89449	1.0
227.03287	1.2
255.23334	15.3
281.24881	100.0
289.43552	0.5
509.28885	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11728	0.5
66.01623	0.4
66.88987	0.5
67.94392	0.5
77.39701	0.7
78.32770	0.5
78.95918	6.7
83.11694	0.6
83.13063	0.5
127.90979	0.6
132.69073	0.5
152.98323	0.9
152.99590	27.3
171.00633	0.9
196.89520	2.3
227.03386	1.3
281.24890	100.0
317.95255	0.7
509.28909	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69994	0.5
71.67092	0.5
78.95908	6.7
91.91552	0.4
97.33634	0.5
106.31515	0.5
116.68621	0.5
126.09022	0.5
152.98323	0.9
152.99583	25.4
171.00647	1.1
196.89532	2.9
227.03316	2.0
245.04314	0.7
255.23328	5.2
281.24884	100.0
300.80411	0.6
509.28867	70.0
512.46997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40081	0.4
54.05622	0.5
55.06184	0.5
60.28511	0.5
62.18463	0.5
72.56135	0.5
78.95892	4.5
82.09416	0.5
101.42006	0.5
105.27980	0.5
106.07333	0.5
111.55481	0.6
118.38511	0.5
152.99596	26.3
171.00609	0.8
220.55833	0.6
227.03355	2.6
245.04364	0.7
281.24887	100.0
313.61603	0.6
394.65903	0.5
394.72327	0.6
430.61459	0.6
509.28882	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71827	0.4
57.37766	0.5
59.05629	0.5
60.18716	0.4
61.78607	0.5
74.84331	0.4
78.95890	5.7
92.22543	0.6
99.66985	0.5
125.65743	0.6
152.99585	29.4
159.26299	0.5
171.00557	0.8
178.88412	1.0
196.89470	2.9
227.03247	3.2
245.04256	0.8
281.24875	100.0
392.77951	0.6
446.17432	0.7
509.28888	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75888	0.5
78.95908	7.0
86.52876	0.6
121.40492	0.6
152.99597	24.2
153.73479	0.6
227.03207	2.3
281.24881	100.0
327.17053	0.6
509.28906	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
59.01375	2.2
69.10355	0.4
83.01384	44.4
85.30572	0.4
87.04514	1.3
94.18447	0.5
131.03462	3.5
194.07823	0.6
279.23312	100.0
323.77182	0.5
338.06302	0.5
496.23291	0.5
509.31097	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84230	0.8
59.01385	100.0
71.01371	8.1
73.02952	2.7
78.95884	1.0
83.01375	1.0
83.08414	0.7
85.02946	4.0
97.91665	0.6
101.02438	7.3
113.02477	1.8
117.27429	0.7
161.04515	1.5
162.06871	1.1
177.09308	1.3
271.57355	0.8
280.92783	0.8
331.21347	1.2
449.29550	0.9
467.30066	1.3
486.95334	0.8
509.23886	1.2
509.31635	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97392	0.6
57.03439	0.7
59.01383	100.0
61.98845	0.7
68.61638	0.5
71.01386	1.6
73.02936	1.2
85.02973	1.1
101.02431	3.3
113.02452	1.3
117.01499	0.7
135.32297	0.6
155.03461	0.8
161.04533	1.0
168.91498	0.7
171.10242	0.8
195.14056	0.9
195.76735	0.7
256.58069	0.7
295.22888	3.2
306.05405	0.9
367.13889	0.7
467.30219	4.1
473.26804	0.8
491.24313	3.3
509.25052	2.9
509.31238	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51706	1.9
56.98957	2.0
63.47763	2.0
67.45014	1.9
70.52689	2.2
71.38589	2.8
98.39830	2.5
99.41265	2.2
137.06100	13.8
185.11829	100.0
193.99345	2.1
201.11411	3.0
279.23309	60.3
371.84067	2.4
429.52234	2.8
447.34708	9.4
465.35757	4.5
509.35025	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
70.39153	1.1
83.05017	8.3
85.12660	1.4
96.97525	1.3
111.08158	100.0
155.07262	1.6
173.08195	44.8
229.10721	11.3
247.11867	15.0
279.23334	66.6
311.56137	1.4
401.26321	1.8
509.34906	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02876	0.6
57.03448	4.7
59.17115	0.7
62.16235	0.7
67.08257	0.7
68.12381	0.7
83.05022	9.6
93.74500	0.8
109.06599	1.6
111.08152	100.0
111.38689	0.9
117.80348	0.7
125.09750	4.1
132.87199	0.8
173.08188	43.1
229.10799	9.3
237.85774	0.8
247.11891	14.5
279.23309	68.3
509.34964	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01376	0.9
72.50915	0.9
72.63477	0.8
83.05033	7.4
97.38501	1.1
109.06566	3.7
109.66106	0.9
111.08158	100.0
118.23132	0.9
149.25676	1.0
158.20543	0.9
172.32362	0.9
173.08191	36.3
211.10081	1.1
221.33034	1.0
229.10840	11.8
247.11948	11.6
279.23334	70.1
325.34338	1.0
368.77240	1.1
413.31140	1.0
509.34940	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51435	0.7
53.52383	0.6
57.03443	1.5
59.01389	0.7
74.14712	0.6
79.15298	0.7
85.02939	17.3
87.00870	23.3
111.00873	100.0
117.01900	1.3
129.01894	6.2
154.99899	1.4
173.00916	10.4
191.01988	76.9
191.05559	7.3
268.37677	0.8
319.15607	0.9
510.14264	5.1
512.91168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47265	0.7
54.97409	0.9
57.03447	4.0
58.64125	0.7
63.29679	0.7
68.39865	0.8
71.80318	0.8
77.54653	0.7
85.02945	17.6
87.00861	26.9
111.00873	100.0
115.64066	0.8
129.01981	6.1
130.99850	1.0
173.00948	5.9
191.01991	74.8
191.05598	20.5
306.07831	1.2
341.22855	1.1
510.14169	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54215	1.1
58.64853	0.9
67.03500	0.9
84.38535	0.9
85.02950	15.1
87.00872	22.2
99.11618	0.9
111.00871	100.0
119.19655	0.9
129.01894	7.9
170.95863	1.1
173.00873	4.2
191.01993	83.1
203.80841	1.2
238.46519	1.1
256.38138	1.1
258.80109	1.0
280.24265	1.0
412.15573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01758	0.9
59.01386	18.7
71.01363	2.2
77.84148	1.0
87.38184	1.0
113.02415	1.3
118.68118	1.3
137.59976	1.0
159.04492	4.6
177.50185	0.9
203.05563	1.1
262.08771	2.2
263.05698	1.2
276.06598	4.2
277.07394	8.5
278.08258	18.6
279.09058	1.2
291.05316	5.6
303.05670	1.0
304.06305	1.4
305.06949	45.3
306.07748	100.0
308.09241	8.2
348.08829	21.6
468.12854	1.3
501.62674	1.2
510.14108	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67188	0.6
53.29910	0.5
53.68760	0.6
59.01380	5.4
61.50532	0.5
67.01875	0.9
71.01379	1.2
75.00863	2.4
85.02938	9.1
87.00864	3.2
93.03468	7.0
101.48222	0.6
111.00865	7.0
111.04498	3.2
117.90205	0.6
127.04002	3.6
137.02325	0.7
155.03485	1.0
159.65285	0.7
171.03012	0.9
173.04524	5.5
191.02034	7.4
191.05635	100.0
305.07059	2.4
306.07709	6.5
394.09366	2.7
510.14105	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69819	0.5
54.96766	0.5
56.80537	0.6
59.01384	100.0
63.75422	0.5
71.82439	0.6
85.02944	1.3
87.00866	3.0
105.94162	0.7
107.02047	0.7
110.79803	0.7
111.00890	11.3
128.61395	0.7
191.02025	9.1
219.46935	0.6
220.47818	0.7
271.46902	0.7
307.08514	0.9
307.12003	0.9
320.09448	0.9
333.22580	0.7
394.13049	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05232	1.0
59.01380	100.0
72.78068	1.0
79.80614	0.9
320.09344	2.2
335.11871	1.9
394.13007	8.6
461.43307	1.2
525.44073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99836	0.9
57.68161	1.0
58.02452	0.9
59.01384	100.0
63.70967	0.9
72.45523	1.0
111.00886	1.1
143.45959	1.1
146.08026	1.0
171.17741	1.0
173.95255	1.0
219.41095	1.3
307.08478	1.4
307.11887	1.2
320.09399	1.9
334.10977	1.3
337.37332	1.6
394.13046	13.0
445.35809	1.3
490.54907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70143	1.2
59.01381	100.0
80.26028	1.3
213.52502	1.5
351.20007	1.6
394.13043	3.6
419.31781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58669	0.8
60.08419	0.8
61.98841	1.1
64.57181	0.8
73.74191	0.8
111.55103	1.0
113.02419	1.4
122.06083	1.3
132.69676	1.0
150.69542	1.3
174.18810	1.0
213.96346	0.9
226.66402	1.1
253.06039	1.1
255.11269	1.6
267.07715	4.5
282.10141	18.6
283.10944	4.9
299.09982	1.2
310.09534	2.3
311.10336	6.2
313.08582	1.3
341.11346	2.3
350.18781	5.1
360.17133	2.0
362.14935	5.6
372.17276	1.4
373.14615	1.9
376.16830	1.1
378.14508	5.6
378.18631	2.3
388.16656	4.8
390.18359	1.9
400.13141	1.1
416.16284	7.8
434.17026	1.6
448.19086	2.3
450.16690	1.7
466.19714	1.3
510.18796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31247	1.1
65.79498	1.0
72.71456	0.9
73.35609	1.0
85.40685	1.0
96.06526	1.0
97.21945	1.2
117.13329	1.4
119.33895	1.1
122.06067	2.5
128.03555	1.1
169.45773	1.2
211.10498	1.1
227.11867	1.1
255.11485	2.2
267.07697	4.0
282.10156	17.0
283.10776	4.2
299.10278	1.9
310.09665	2.7
311.10559	4.4
313.08533	2.0
320.91333	1.3
322.88049	1.2
327.10059	1.6
341.11502	1.6
350.14978	2.0
350.18723	5.5
360.13284	1.4
362.15182	6.8
378.14578	7.2
378.18622	1.8
388.16809	4.2
389.17432	2.1
390.18643	1.3
406.17905	2.3
410.59848	1.1
416.16211	7.6
434.17404	2.6
448.18893	2.1
509.76120	1.4
510.18839	100.0
510.26288	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01150	1.0
59.01387	16.0
61.22434	1.0
61.98827	2.7
69.54415	0.9
69.80281	0.9
70.85979	1.0
71.01382	7.8
82.02959	9.0
83.75978	1.1
84.04546	9.7
85.02931	12.0
85.03334	0.9
88.99900	1.1
89.02436	5.2
96.96000	4.8
97.02937	13.0
98.76744	1.0
100.04047	23.5
101.02431	8.5
108.47018	1.1
113.02439	2.3
115.03239	1.6
115.04003	37.7
119.03484	1.9
128.03545	8.8
129.01942	1.2
145.32329	1.2
151.97913	1.1
188.10796	2.2
195.73976	1.2
204.10321	4.6
232.09769	17.3
250.10820	13.5
319.53885	1.2
412.16248	14.1
434.10867	1.3
510.19861	100.0
513.17322	1.2
516.26740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.85333	0.4
71.71877	0.3
78.37093	0.4
86.29313	0.4
92.23182	0.6
103.04074	0.4
132.11975	0.4
136.39882	0.3
229.65811	0.4
300.71472	0.4
450.23480	0.5
450.46591	0.5
510.22122	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01802	0.4
54.53353	0.3
60.37741	0.4
61.98830	100.0
62.26091	0.3
86.77304	0.4
268.03467	0.4
309.43045	0.4
317.37366	0.5
429.18918	0.6
482.21228	0.5
510.22290	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47842	0.4
59.01388	0.5
61.98832	100.0
62.76470	0.4
70.53355	0.4
71.01363	0.6
89.15334	0.5
104.91213	0.5
112.27954	0.6
124.47720	0.6
179.03523	0.8
194.05768	0.6
364.90088	0.6
450.23309	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86768	0.6
78.95904	29.2
78.96365	1.1
79.07774	0.5
79.31175	0.6
96.96934	2.4
146.65543	0.7
152.99588	100.0
163.52463	0.7
171.00674	1.4
221.44014	0.6
254.04399	0.8
255.23340	18.2
326.87265	0.6
409.23831	6.2
447.95316	0.8
510.28415	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89203	0.7
58.64223	0.7
66.54951	0.8
69.80667	0.8
78.95902	27.6
96.96990	1.5
152.99590	100.0
182.31818	0.9
192.30814	0.9
218.21434	0.9
255.23293	18.8
409.23706	4.3
510.28387	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.284
Annotation	Cytochalasin Ppho
Peak:m/z	Relative Intensity
51.56466	0.8
78.95903	24.1
96.96956	1.8
127.16602	0.8
152.99590	100.0
171.00604	1.0
209.63849	0.8
210.05495	1.7
247.88463	1.0
254.04356	1.3
255.23329	16.1
280.23120	1.0
309.68344	1.0
342.43137	0.9
409.23569	3.7
420.36496	1.0
489.18234	1.0
510.28421	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46501	0.5
67.08207	0.5
70.98775	0.5
71.13163	0.5
79.47931	0.5
82.75675	0.5
86.91771	0.7
93.61926	0.5
94.39220	0.5
95.05029	0.6
109.82485	0.6
119.04986	0.6
123.04521	23.5
123.66425	0.6
131.99045	0.6
139.03955	0.8
145.52669	0.6
147.34247	0.6
155.66927	0.7
163.04016	3.8
167.03499	100.0
181.05078	15.0
226.00557	0.7
343.10431	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02479	0.9
71.78056	0.8
72.99298	16.0
77.54608	1.0
81.03501	1.1
81.95823	1.1
83.86359	0.8
90.13243	1.0
93.03468	1.2
98.21576	1.0
109.02917	1.3
121.02958	5.3
123.04502	29.0
133.02951	5.6
151.04002	100.0
154.79877	1.0
195.03026	2.5
197.04683	1.4
237.83388	1.1
319.65329	1.0
341.88239	1.5
403.58130	1.1
511.14871	1.6
534.38477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44985	0.9
59.01377	7.9
71.01380	9.4
71.48151	1.1
75.00861	9.3
85.02939	12.2
87.00861	2.3
87.79655	1.2
89.02421	2.4
95.01400	1.7
99.00869	7.4
101.02454	1.3
103.00337	1.6
108.89564	1.0
109.52500	1.1
113.02437	30.8
115.00340	2.1
119.05020	22.5
120.89899	1.3
129.01949	1.9
144.48167	1.4
145.02945	16.6
146.03354	1.2
163.04001	39.4
170.68840	1.3
175.02553	1.7
189.05603	13.7
206.88713	1.2
231.04971	1.9
237.07655	3.1
249.06165	25.0
261.07797	5.9
267.07239	56.3
271.82590	1.8
413.10886	27.8
511.14639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.6
60.76812	0.7
68.99816	0.8
71.01376	12.2
73.02911	1.0
75.00856	8.0
80.08132	0.7
83.91970	0.7
84.33291	0.8
85.02952	13.3
85.36939	0.7
87.00874	5.9
89.02452	5.3
93.03534	0.8
95.01382	4.5
99.00866	6.5
99.69632	0.8
103.00373	1.5
105.42355	0.7
113.02441	30.0
116.92890	0.9
117.01912	3.3
119.05009	20.1
129.01926	0.7
129.04579	0.7
131.03464	1.1
145.02945	14.8
163.04013	40.1
175.02495	1.8
189.05618	11.0
207.05061	1.4
231.05093	1.1
237.07684	3.6
249.06161	26.0
261.07657	3.2
267.07230	64.4
413.10950	32.3
511.14615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
64.05054	0.8
66.83547	0.8
71.01372	8.2
71.71255	0.8
72.99303	1.8
75.00865	5.3
85.02948	10.9
87.00885	3.5
89.02444	4.9
92.22477	0.9
95.01392	1.9
99.00874	5.5
101.02460	1.3
103.00394	1.2
113.02451	24.1
119.05009	18.9
145.02940	14.5
157.01428	1.1
163.04018	32.5
175.02512	1.9
189.05574	10.3
189.76924	0.9
207.05200	1.4
217.08723	1.0
237.07762	4.2
249.06165	19.6
261.07626	2.1
267.07233	47.3
413.11002	26.0
435.30545	0.9
511.14630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13367	0.4
57.25552	0.4
66.78474	0.6
68.27055	0.5
72.99303	12.3
75.97417	0.5
81.03469	2.4
83.16615	0.6
84.28645	0.6
92.23398	0.5
93.03431	1.0
95.04995	2.2
101.43581	0.7
107.05010	2.6
108.02168	0.8
109.02958	2.8
121.02946	6.8
122.03714	0.7
123.04510	30.3
129.19431	0.6
133.02946	5.3
135.04520	0.9
149.29636	0.6
151.04001	100.0
157.52382	0.5
167.03477	8.1
171.38136	0.6
179.03542	1.2
181.05006	1.0
184.12440	0.5
195.03001	4.3
197.04532	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49638	0.4
59.01384	13.7
67.56320	0.4
69.03437	0.5
69.44923	0.4
74.04124	0.4
75.00888	0.7
78.43732	0.4
92.23048	0.6
176.01151	61.6
186.93022	0.5
191.03516	100.0
196.22302	0.5
215.23096	0.5
451.32727	1.9
482.62167	0.5
511.14545	0.9
511.25418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06108	0.9
59.01381	2.2
96.96008	100.0
164.55408	1.0
174.32526	1.0
182.65939	1.1
207.52594	1.1
221.42487	1.0
232.48927	1.0
236.61771	0.9
264.91360	0.9
413.18314	1.6
480.76459	1.1
511.21869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78526	0.9
55.52784	1.0
59.01379	1.5
60.08897	1.1
65.29999	1.1
67.31422	1.4
74.99088	11.8
78.95898	6.6
90.77976	1.2
93.03440	1.3
118.98077	100.0
129.05064	1.3
129.77173	1.3
152.99539	5.2
163.07599	1.4
173.02400	2.1
181.05119	2.4
196.07333	1.7
232.07365	3.0
253.09067	14.5
264.10052	5.2
511.16434	25.1
511.24997	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85654	0.5
67.16647	0.5
67.50330	0.4
75.86095	0.5
91.27722	0.5
102.66534	0.5
120.99645	100.0
130.11830	0.6
211.04260	0.8
315.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.3
71.01382	57.4
72.99313	12.5
73.02950	2.6
83.01371	1.9
84.44981	1.3
85.02937	7.2
87.00881	2.5
89.02444	39.0
99.00897	1.6
101.02443	24.9
106.38902	1.5
113.02451	20.6
114.93522	1.4
115.00365	32.1
115.03970	2.7
119.03483	19.2
127.32812	1.5
133.01436	38.3
133.05034	8.2
135.06651	27.8
143.03520	2.6
161.04575	5.9
179.05605	5.4
297.11932	54.6
337.09454	5.9
343.15805	2.0
511.16742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54752	1.3
50.55019	1.4
59.01380	32.6
64.60100	1.5
71.01378	62.4
72.99305	24.5
73.02914	2.2
75.94891	1.5
85.02933	3.0
89.02440	53.3
93.91956	1.8
101.02419	31.6
105.50417	1.9
113.02464	13.1
115.00372	39.3
115.03967	4.0
119.03490	19.8
121.02926	1.9
123.04491	13.2
132.81891	2.3
133.01431	53.8
135.06645	26.5
143.03395	2.5
151.03999	36.6
161.04541	4.3
179.05574	4.2
181.05060	4.5
218.14626	1.9
297.11920	77.4
377.51556	1.8
413.12424	2.4
511.16565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26625	1.1
59.01377	32.6
60.52095	1.2
61.20501	1.2
61.77960	1.3
62.21146	1.2
69.30290	1.3
71.01379	55.9
71.01785	2.0
72.99315	11.2
73.02934	3.0
74.12847	1.3
85.02952	3.0
89.02439	48.0
101.02451	28.6
108.10054	1.4
109.42545	1.2
113.02461	17.7
115.00361	32.9
115.03908	1.7
116.92854	5.8
119.03475	19.9
131.03491	1.8
133.01424	23.7
135.06642	26.8
143.03473	2.4
161.04602	6.1
168.19713	1.5
172.28925	1.4
179.05626	5.2
297.11938	78.1
493.15778	2.1
511.16769	100.0
511.41467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55275	0.8
72.99303	4.6
75.00867	73.6
75.01299	2.4
95.05036	1.1
106.75607	0.9
115.04012	2.6
151.04054	1.4
156.00142	1.1
179.07150	4.3
197.04495	1.5
207.10315	2.1
219.10194	1.2
220.74963	1.2
223.99884	1.1
245.90471	1.0
313.12964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.9
59.26668	0.7
59.64315	0.7
60.49732	0.7
60.94280	0.7
61.98845	1.1
63.02747	0.8
71.01382	4.8
71.40420	0.8
73.02940	10.8
77.22828	0.8
80.72802	0.8
81.71225	0.8
83.01398	1.2
85.02924	1.6
87.00868	48.0
89.02426	4.1
101.02433	7.7
107.31125	0.9
113.02438	2.1
114.33613	1.0
119.03487	0.9
120.92555	0.9
134.03714	4.5
135.04514	4.1
147.04550	1.2
149.02448	4.0
149.06038	1.1
161.04520	1.4
163.04030	9.0
164.04774	9.0
166.02678	1.8
175.00377	5.0
177.05603	1.2
178.06369	1.6
179.07112	1.2
181.05028	1.3
183.06700	1.2
184.20724	0.8
190.02734	63.8
196.35843	1.0
205.05061	72.3
207.02884	1.3
218.19792	0.9
223.06113	8.5
269.85132	1.0
289.10934	1.3
340.16769	1.1
383.93134	0.9
451.16089	4.1
451.36200	0.9
469.17407	1.2
511.18234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
66.76823	0.6
70.70242	0.6
71.01390	1.5
85.02930	1.0
89.02460	2.7
93.03454	2.5
97.02938	3.7
101.02456	2.7
113.02404	1.1
115.03998	8.9
116.61263	0.6
123.04523	51.5
135.04584	0.7
137.01544	0.7
137.02425	5.4
147.65825	0.7
153.05574	100.0
160.01634	0.7
161.02463	1.0
162.23376	0.7
163.04024	1.3
173.60913	0.6
175.04005	1.6
190.16040	0.9
271.02362	0.7
315.10947	6.9
330.11938	0.7
349.19867	0.7
395.13528	1.0
413.14893	2.2
451.21964	1.4
511.18225	7.9
511.25565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1951
Annotation	Bannaxanthone F
Peak:m/z	Relative Intensity
59.01345	0.6
61.98828	6.8
64.21845	0.8
78.95899	100.0
89.37415	0.9
96.96939	1.1
117.49608	0.7
125.09701	22.0
152.99568	15.3
187.09752	44.2
202.22211	0.7
323.08838	1.1
391.81406	0.8
511.19412	64.3
511.25113	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
66.13195	1.9
71.01382	4.6
78.86561	2.1
83.01385	39.3
85.02950	9.3
89.02416	11.4
90.57659	2.3
91.32600	2.2
91.94691	2.6
95.22900	2.3
97.02937	19.3
101.02406	4.0
108.00000	2.4
113.02448	3.8
115.04001	100.0
131.03490	2.7
138.61263	2.5
143.92447	2.4
149.04567	12.3
152.12119	2.3
189.05576	3.0
191.05647	4.9
197.04550	9.2
247.08278	31.5
297.12048	3.7
364.29602	2.6
466.09631	2.5
511.16199	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
66.13195	1.9
71.01382	4.6
78.86561	2.1
83.01385	39.3
85.02950	9.3
89.02416	11.4
90.57659	2.3
91.32600	2.2
91.94691	2.6
95.22900	2.3
97.02937	19.3
101.02406	4.0
108.00000	2.4
113.02448	3.8
115.04001	100.0
131.03490	2.7
138.61263	2.5
143.92447	2.4
149.04567	12.3
152.12119	2.3
189.05576	3.0
191.05647	4.9
197.04550	9.2
247.08278	31.5
297.12048	3.7
364.29602	2.6
466.09631	2.5
511.16199	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08826	0.5
59.01379	2.9
65.85732	0.5
71.01376	2.7
73.02940	1.4
85.02942	1.1
87.00867	100.0
94.69962	0.5
101.02443	3.6
113.02451	1.0
180.08731	0.6
190.02678	2.4
205.05037	1.3
218.73099	0.6
237.20203	0.6
291.18063	0.9
327.10925	0.6
343.66602	0.5
423.22397	18.1
511.24377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08826	0.5
59.01379	2.9
65.85732	0.5
71.01376	2.7
73.02940	1.4
85.02942	1.1
87.00867	100.0
94.69962	0.5
101.02443	3.6
113.02451	1.0
180.08731	0.6
190.02678	2.4
205.05037	1.3
218.73099	0.6
237.20203	0.6
291.18063	0.9
327.10925	0.6
343.66602	0.5
423.22397	18.1
511.24377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.255
Annotation	Andrographiside
Peak:m/z	Relative Intensity
59.01382	19.9
59.36062	1.2
63.23478	1.1
71.01371	9.6
78.95903	2.7
81.73875	1.2
85.02930	6.4
88.76270	1.0
89.02440	11.4
97.02966	2.6
101.02444	7.6
105.69039	1.3
113.02450	2.9
150.03365	1.1
152.99557	1.4
184.72018	1.2
259.17163	2.7
287.20203	29.3
324.14365	1.1
331.19220	22.7
511.25586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2553
Annotation	3-O-beta-D-Glucopyranosylandrographolide
Peak:m/z	Relative Intensity
53.42112	0.6
59.01374	4.6
64.00443	0.6
71.01363	3.4
73.02946	0.9
76.77910	0.7
85.02967	1.0
89.02428	3.4
98.10344	0.6
101.02427	4.8
101.39530	0.7
113.02441	1.4
119.03442	0.7
153.05453	1.1
191.14441	6.2
223.33090	0.8
233.46408	0.7
235.13354	4.7
331.19156	16.8
336.77087	0.8
349.20236	37.6
451.21411	0.9
511.25537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62154	0.6
59.01373	4.0
59.32727	0.6
61.98829	10.4
71.01385	1.0
72.99297	0.7
78.29145	0.6
78.95905	15.7
101.02461	1.1
125.09695	1.3
151.03996	3.7
152.99564	4.2
153.05586	2.6
179.03484	1.3
181.05081	100.0
182.05862	17.2
187.09717	4.6
196.07419	52.1
197.08218	9.9
217.08766	1.2
217.24406	0.8
218.09012	1.5
222.92621	0.7
224.96222	0.7
233.06197	0.7
249.11322	4.4
261.92288	0.8
261.95267	0.7
274.83643	0.7
287.95731	0.7
323.43597	0.7
349.20255	1.0
413.97034	0.8
426.91077	0.7
449.21860	19.3
461.21942	4.4
479.23251	1.2
511.19180	8.1
511.25574	37.9
533.23730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2918
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.29943	0.8
57.03446	6.4
57.34454	0.8
59.01387	6.2
65.99451	0.8
66.34414	0.9
69.03439	3.7
71.01372	7.8
73.02965	1.6
83.05019	1.5
83.37406	0.9
85.02957	3.7
89.02438	1.1
96.78270	0.9
97.06577	13.0
99.00873	1.9
101.02446	9.3
104.92862	0.8
113.02446	5.0
123.85445	0.8
126.51067	0.9
127.03951	1.4
133.10258	1.3
151.11284	81.7
155.03552	1.2
161.04428	1.2
167.10793	1.3
169.12355	9.1
177.09186	5.4
195.10271	6.1
213.11374	1.8
217.44875	0.9
255.14537	1.0
375.46353	0.9
389.30377	1.0
446.79538	1.1
474.65927	1.0
511.29144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3048
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
58.92166	0.8
78.95887	6.5
81.85332	0.7
96.96951	1.0
152.99588	25.0
197.53572	0.8
227.03249	1.7
283.26447	100.0
333.95258	0.9
390.99637	0.9
511.30460	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66903	0.7
57.29756	0.9
78.39108	1.0
78.95899	6.2
81.66714	1.3
95.75168	0.9
98.54719	0.9
152.99602	21.3
159.40833	1.0
188.61005	1.3
283.26437	100.0
303.35852	1.1
342.82086	1.0
511.30402	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3047
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
58.76235	0.5
78.95895	6.5
89.27245	0.5
102.04780	0.5
132.81479	0.6
152.99594	26.0
171.00722	0.9
227.03363	1.1
249.91006	0.6
283.26450	100.0
283.45541	0.6
316.32568	0.6
332.92441	0.6
413.58237	0.8
511.30484	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
60.60598	0.7
63.36675	0.8
64.36130	0.7
68.69640	0.7
78.95904	1.7
152.99600	12.2
153.00822	1.2
164.93727	0.8
196.52376	0.8
247.77708	0.8
267.88495	1.0
283.26447	100.0
345.54980	0.9
353.41763	0.9
356.95917	1.0
381.51892	0.9
456.79199	0.9
511.30518	44.8
511.38132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46271	1.0
55.88871	1.1
56.19865	1.0
59.01372	2.6
61.98793	1.1
78.95896	5.0
88.90863	1.2
152.99573	22.2
227.03250	5.1
236.01131	1.3
283.26443	100.0
324.53687	1.2
490.98041	1.5
511.30371	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97555	1.2
59.01383	26.5
59.42902	0.8
61.85106	0.7
79.37189	0.8
99.95715	0.8
112.07667	3.8
129.10355	1.6
130.08754	7.6
163.03735	1.0
207.15045	4.4
224.17792	2.1
225.16052	13.7
242.18976	1.0
250.27124	1.1
289.55408	1.0
299.08997	0.9
301.17322	1.0
309.87766	1.2
337.26141	5.6
433.31833	13.9
451.32965	100.0
468.37894	1.0
511.35062	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26220	1.3
58.02959	1.4
59.01381	100.0
61.40939	1.1
63.37655	1.2
85.20347	1.3
142.12358	8.0
152.10762	1.7
153.09238	2.0
170.11867	90.8
280.26416	25.3
430.71133	1.5
440.05573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29583	0.9
53.93660	1.0
59.01380	1.5
61.98829	8.4
63.86401	1.1
65.24798	1.0
67.10570	1.1
71.01368	1.3
72.99279	1.6
86.93948	1.0
95.01362	11.3
123.00880	8.5
123.04478	1.9
134.03737	1.7
135.10779	1.2
144.04538	2.0
163.04155	1.0
166.59268	1.1
171.03308	1.0
217.06587	1.1
244.67294	1.2
281.08038	1.9
295.06219	5.1
309.07846	5.6
310.08578	4.8
394.07120	2.2
396.08548	1.3
396.12592	19.4
408.08734	2.6
424.12277	23.0
439.10712	1.7
452.07501	12.8
454.12997	1.9
462.16049	1.4
467.10080	2.4
482.12390	37.3
497.14972	17.2
512.17267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05463	0.8
70.73409	0.8
75.46037	0.7
84.13092	0.8
95.01379	9.9
96.52868	0.9
123.00871	8.3
130.74881	0.9
142.55229	0.9
144.04549	3.2
152.68336	0.8
153.40889	0.7
160.03943	0.8
172.03908	0.9
215.62544	1.0
266.04602	1.3
267.06595	1.2
280.59921	0.8
295.06104	4.7
309.07632	5.6
310.08484	6.2
324.10129	1.3
366.07797	1.7
394.07336	1.7
396.12506	17.7
398.13977	1.0
408.08847	1.5
409.09399	1.6
424.12161	25.9
439.10699	1.2
452.07724	14.2
454.12976	1.7
467.10196	3.6
482.12500	36.8
497.14825	17.6
512.17181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38392	0.7
57.48390	0.6
57.74542	0.7
59.33194	0.8
61.98823	5.0
64.47956	0.7
65.32452	0.8
66.29941	0.8
87.02954	0.7
95.01384	10.1
123.00094	0.8
123.00893	8.1
124.67148	0.9
130.67157	0.8
131.03769	0.9
144.04520	3.4
150.42967	0.9
171.03255	1.2
172.03969	1.4
281.08246	1.8
295.06046	4.3
300.72574	1.0
309.07715	5.5
310.08340	5.2
324.09818	1.1
345.28683	1.0
366.07535	1.1
368.08954	1.3
369.11255	1.3
374.28760	1.0
381.10226	1.5
382.11047	1.1
390.98898	0.9
394.07297	3.6
396.12524	17.2
408.08722	1.3
424.12097	23.2
439.10587	1.8
452.07727	13.7
454.12970	1.9
463.27582	0.9
467.10193	3.7
482.12622	41.4
497.14838	18.3
512.17181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90916	0.7
58.82725	0.7
95.01368	7.5
123.00860	8.5
144.04494	3.5
172.04041	1.2
214.85023	0.9
266.04456	0.9
267.06683	1.3
281.08234	1.6
295.06085	4.7
309.07819	6.4
310.08417	3.3
323.90662	0.9
368.09164	1.8
369.11588	1.5
379.09625	1.0
381.10327	1.8
382.10989	1.3
394.07071	1.3
396.12466	13.8
408.08713	1.2
409.09592	1.2
424.12192	20.9
452.07632	12.6
454.12842	3.6
467.09836	1.6
482.12454	34.0
497.14902	15.2
512.17194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92900	0.7
61.98840	1.8
66.41309	0.8
81.28328	0.8
87.64313	0.9
89.62263	0.8
92.22545	1.0
95.01392	7.9
123.00854	6.7
144.04543	4.4
198.20663	0.8
266.04730	1.8
281.08386	1.0
295.06085	4.5
309.07581	6.0
310.08463	3.5
366.07712	1.3
369.11365	1.3
372.76837	0.9
381.10181	1.2
394.07101	1.2
396.08499	1.2
396.12552	17.3
424.12259	20.7
439.10693	1.3
452.07840	13.0
454.13190	1.3
467.10260	3.6
482.12567	29.9
497.14832	14.2
512.17175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97315	0.7
58.18446	0.7
95.01376	9.5
96.99274	1.1
123.00854	8.9
141.42262	1.0
144.04533	4.1
171.03268	1.2
172.03966	1.2
181.35573	0.8
182.06107	1.0
220.54349	0.8
266.04550	1.0
267.06619	1.2
281.08453	2.0
294.04761	0.8
295.06189	4.9
302.71762	0.9
309.07745	6.8
310.08417	4.3
316.06067	1.1
366.07626	1.4
368.09299	1.4
369.10922	3.2
381.10190	1.2
382.11127	1.0
394.07147	1.9
396.08615	1.0
396.12567	12.6
397.09744	1.3
408.08594	1.0
409.09564	1.0
424.12332	23.4
439.10397	1.2
452.07706	15.5
454.13055	1.4
467.10217	4.2
482.12463	37.1
497.14807	19.5
512.17224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38392	0.7
57.48390	0.6
57.74542	0.7
59.33194	0.8
61.98823	5.0
64.47956	0.7
65.32452	0.8
66.29941	0.8
87.02954	0.7
95.01384	10.1
123.00094	0.8
123.00893	8.1
124.67148	0.9
130.67157	0.8
131.03769	0.9
144.04520	3.4
150.42967	0.9
171.03255	1.2
172.03969	1.4
281.08246	1.8
295.06046	4.3
300.72574	1.0
309.07715	5.5
310.08340	5.2
324.09818	1.1
345.28683	1.0
366.07535	1.1
368.08954	1.3
369.11255	1.3
374.28760	1.0
381.10226	1.5
382.11047	1.1
390.98898	0.9
394.07297	3.6
396.12524	17.2
408.08722	1.3
424.12097	23.2
439.10587	1.8
452.07727	13.7
454.12970	1.9
463.27582	0.9
467.10193	3.7
482.12622	41.4
497.14838	18.3
512.17181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14145	0.6
54.37700	0.7
58.45094	0.6
61.98830	0.9
80.72581	0.7
92.18690	0.7
92.23025	0.9
94.76792	0.6
95.01386	9.4
95.01894	1.0
96.23170	0.7
96.99340	0.7
110.29750	0.8
123.00881	6.9
128.81042	0.9
137.75288	0.7
140.91617	0.8
144.04532	1.4
145.75305	0.7
171.03180	1.2
172.03979	0.9
238.43060	0.8
250.38077	0.9
266.04590	1.4
295.06082	4.5
309.07755	6.6
310.08453	4.7
359.94434	0.8
366.07941	1.2
369.11215	1.9
381.10025	1.1
383.11530	1.1
394.06952	1.6
396.12610	15.2
405.06006	0.9
408.08786	3.2
411.10977	0.9
424.12198	21.7
436.08365	0.9
439.10864	0.9
452.07846	15.0
454.12888	1.4
467.10165	4.7
482.12503	37.1
497.14957	15.8
512.17169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87294	0.8
61.98823	5.4
63.14594	0.8
95.01372	7.9
121.95000	1.1
123.00901	9.9
144.04536	2.2
149.92519	1.0
213.34804	1.1
235.41154	1.0
295.06128	4.1
300.15634	1.0
309.07675	6.5
310.08444	2.3
366.07697	1.9
396.12531	14.3
416.21921	1.2
424.12134	22.4
439.10620	1.9
452.07770	11.5
454.13046	1.9
467.10187	4.5
482.12589	37.7
497.14789	20.9
512.17163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78328	1.8
61.98835	3.9
63.37654	1.5
65.01676	1.7
85.65284	1.9
87.35655	2.3
90.46227	2.0
92.17268	2.2
101.02457	2.5
105.78448	2.3
108.04492	2.1
110.06071	2.6
115.68666	1.8
121.05347	3.3
122.06128	9.7
131.45094	2.3
160.04045	2.8
172.04047	7.6
187.09631	2.8
203.05875	4.7
204.06732	19.9
248.58192	2.2
251.11900	4.3
252.12657	7.8
267.07761	3.3
268.08536	2.7
281.09323	8.7
295.10941	5.1
296.11743	39.8
328.10687	9.7
328.14139	2.7
357.57849	2.2
418.17798	10.2
436.18848	8.5
480.17654	31.9
512.20496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3001
Annotation	(-)-Bisparthenolidine
Peak:m/z	Relative Intensity
59.01383	9.1
61.98835	16.2
62.72483	3.9
73.02937	17.0
83.00151	3.6
86.64113	4.8
92.23120	4.7
95.95792	4.9
107.08546	4.6
123.23893	4.9
132.06625	5.6
157.26599	4.8
179.26027	4.3
181.52235	4.8
223.20633	27.3
251.20273	4.8
253.21750	100.0
308.25916	10.7
356.28165	43.8
362.33694	5.2
386.29202	77.3
512.29913	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70143	0.7
60.45267	0.7
71.01366	0.8
75.79305	0.7
83.05048	0.9
83.99929	0.7
87.00865	12.5
88.00405	1.2
97.06558	3.2
97.88464	0.8
111.08148	45.6
125.09710	47.2
148.14146	0.8
152.10811	4.1
172.09798	28.3
186.11357	24.1
190.02783	0.9
222.15515	0.9
264.19846	1.0
289.89032	0.9
290.86511	0.9
308.18668	1.8
322.20248	3.8
325.21323	25.5
339.22906	22.2
512.33447	100.0
516.07556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36771	0.6
61.98822	0.9
64.89548	0.9
65.61679	0.8
66.01065	0.8
71.17200	0.9
78.96985	0.9
89.68328	0.8
97.06583	4.0
125.09704	42.8
137.45595	0.9
153.12849	37.5
187.09749	30.5
197.09976	1.6
197.11841	62.4
215.12883	97.2
244.24898	0.9
284.26791	1.8
512.39630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47752	0.5
69.30260	0.8
78.95899	1.0
125.09669	4.7
149.52422	0.7
152.99605	4.9
153.12856	37.9
157.59297	0.7
171.13864	0.9
185.63148	0.8
187.09734	1.5
197.11848	58.7
215.12889	100.0
283.26401	6.0
284.26813	17.6
289.39990	0.8
512.30872	14.4
512.39526	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94437	0.9
56.62959	1.0
59.01379	30.8
71.01385	14.0
72.99300	8.9
82.94588	1.4
85.02945	1.9
87.21147	1.0
89.02438	24.5
95.42312	1.1
101.02442	17.3
107.05014	5.4
113.02426	12.2
119.03515	11.7
121.02951	2.4
126.93597	1.5
135.04541	2.3
138.03175	1.9
151.04004	45.5
152.98608	2.1
153.05562	7.1
165.60880	1.1
167.82036	1.1
173.04611	2.0
179.03503	5.6
181.01439	1.3
182.02222	19.3
195.06604	2.5
196.03769	5.5
197.04565	100.0
205.05115	1.3
211.06163	11.6
224.03201	4.4
239.05623	33.4
261.42108	1.5
299.07776	2.3
351.04047	15.0
359.09912	63.2
363.24091	1.2
513.09271	93.8
513.15784	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86213	0.3
56.01128	0.3
58.00984	0.3
71.01353	0.4
73.02941	0.8
99.92576	2.8
113.02442	0.4
116.92855	100.0
117.01952	2.1
117.05590	1.6
153.05605	0.5
182.02209	0.4
193.57275	0.4
197.04628	1.7
249.34398	0.4
395.15631	1.3
496.78879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71911	0.9
59.01381	31.7
63.07358	1.2
65.52731	1.1
71.01378	22.1
83.01393	1.4
85.02959	2.3
87.39319	1.1
89.02437	31.7
96.95990	1.9
101.02438	21.4
113.02441	12.9
119.03485	14.0
138.03217	2.6
151.03999	7.0
152.01453	1.2
153.05597	12.1
158.78949	1.2
180.04301	1.4
181.01445	2.0
182.02226	19.0
195.06599	5.0
196.03740	7.7
197.04568	100.0
211.06113	13.6
224.03220	5.9
229.31221	1.1
239.05635	39.5
299.07736	5.1
351.03848	15.5
359.09875	80.4
387.07645	1.4
394.77301	1.3
513.09222	93.6
513.20648	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20416	0.5
52.61075	0.5
52.88389	0.5
78.95904	76.6
89.93287	0.6
96.96954	45.9
125.36996	0.6
152.99617	3.3
171.00647	100.0
190.69020	0.7
191.05655	1.3
371.12637	0.7
512.99939	0.9
513.12305	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
68.99812	1.3
71.01374	3.2
73.02939	0.9
85.02952	4.5
87.00854	0.8
87.52511	0.5
89.02425	1.1
97.02891	0.6
98.24542	0.7
99.00871	6.1
101.02429	3.0
111.00832	1.4
113.02440	8.8
113.99571	13.2
115.00360	8.1
127.00372	3.5
129.01961	1.6
134.03738	11.4
139.00331	1.1
149.06059	1.4
157.01456	6.1
169.01413	1.6
170.62090	0.7
174.01685	21.4
175.02472	1.6
175.03908	1.0
193.05081	11.6
203.46867	0.7
205.04977	1.1
277.05673	37.3
284.30417	0.8
297.12088	0.9
337.07813	35.7
453.10394	0.9
481.18005	1.6
513.12531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29244	1.0
77.98368	1.4
83.01401	2.0
85.02913	5.0
96.96003	10.4
99.00859	2.7
105.55806	1.3
111.00859	1.9
113.02470	2.4
113.99583	6.8
115.00359	2.2
117.03478	5.7
129.01947	1.6
134.03746	77.8
139.00394	1.7
149.06097	12.3
157.01401	5.2
161.02516	2.0
174.01659	5.4
193.05081	80.1
193.06824	2.7
193.33347	1.3
199.85707	1.5
208.92638	1.3
277.05692	17.9
337.07809	51.0
513.12543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03634	2.3
72.99309	37.8
74.65205	2.9
78.95891	4.7
109.02937	4.7
111.18268	2.5
123.04496	14.8
135.04530	17.0
151.00381	5.3
152.99609	16.2
153.01941	16.0
155.15045	3.2
171.55627	2.6
179.03517	42.8
191.05669	18.4
197.02875	5.6
197.04579	100.0
359.09918	99.1
513.15198	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56734	0.6
56.30339	0.6
61.78401	0.6
72.99313	0.8
77.86087	0.6
94.79676	0.6
96.95999	100.0
127.52924	0.7
133.35550	0.7
138.89975	0.8
141.65800	0.7
152.93051	0.7
157.66455	0.7
161.06068	3.6
166.82275	0.7
175.04018	4.2
187.04016	3.8
192.55255	0.7
205.05107	7.4
442.72733	0.8
460.22919	0.8
513.16052	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01376	1.8
60.99311	0.3
67.01885	2.8
69.03458	0.5
71.01379	2.1
79.86374	0.4
81.03459	0.6
83.05012	0.6
93.03455	20.5
100.58090	0.5
109.02966	0.5
111.00886	0.5
111.04515	5.0
113.02415	0.5
133.00247	0.4
133.02945	6.9
134.03731	4.0
135.04523	1.7
137.02429	5.7
146.03720	0.6
146.50856	0.3
155.03493	5.2
159.97992	0.4
161.06119	0.7
173.04553	100.0
177.01930	3.1
178.02731	6.1
179.03482	2.1
193.05057	2.2
223.93652	0.4
275.16818	0.4
339.08786	7.7
443.01956	0.4
513.14020	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25302	0.8
59.18035	0.8
59.19365	0.7
64.75401	0.9
65.55925	0.8
71.01306	0.9
72.99303	53.7
78.29431	0.9
79.69143	0.8
89.35780	0.9
94.68462	0.9
109.02985	1.0
116.92828	1.2
123.04511	39.1
133.01355	1.4
135.04510	31.8
151.04042	1.8
153.05565	93.0
164.90146	1.0
179.03506	54.7
197.04564	100.0
220.34995	1.0
264.68460	1.0
307.66635	0.9
315.10928	45.0
513.17230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51392	0.7
59.01379	1.3
67.86108	0.7
71.01370	1.2
72.99303	44.9
83.16789	0.8
101.02432	1.6
102.35374	0.9
116.92847	4.4
123.04508	17.7
135.04517	27.5
153.01941	3.5
179.03508	44.3
197.04559	100.0
215.47670	0.8
315.10913	10.4
341.99988	0.9
415.13162	1.0
463.63553	0.9
484.77020	0.8
513.15961	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.2
60.41393	0.4
61.38778	0.5
61.98829	2.3
67.01878	4.4
70.40511	0.6
71.01376	14.2
73.02938	6.1
77.55727	0.6
78.69955	0.7
78.95870	0.6
83.01390	1.1
83.70256	0.5
85.02943	6.3
87.83736	0.5
89.02440	3.2
99.00880	4.2
101.02441	14.4
111.00871	100.0
113.02438	9.3
131.03470	0.6
143.03445	0.7
152.99577	0.8
159.03000	2.1
161.04570	8.7
193.05154	0.8
203.10849	2.9
219.51001	0.6
221.11784	1.3
238.51727	0.6
269.10254	6.1
278.81561	0.6
383.17188	4.4
401.14490	42.0
513.16193	17.7
513.27045	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43355	2.8
58.68175	3.2
71.01385	4.6
72.60620	3.6
83.50268	2.8
92.23077	4.0
115.00368	43.5
133.01427	100.0
171.53438	3.3
173.21732	3.1
211.50912	3.4
311.75571	3.4
355.97235	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
71.01373	10.9
72.99316	1.7
89.02448	5.0
115.00356	40.7
116.92837	1.6
133.01425	100.0
133.05045	4.9
139.75278	1.3
153.01888	1.3
174.68373	1.1
178.53813	1.2
179.03503	1.3
199.94844	1.1
219.80881	1.1
225.06825	1.2
253.12831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.9
59.01384	19.7
59.01683	0.9
60.36724	0.6
71.01368	1.0
75.38649	0.6
97.69098	0.6
136.55565	0.8
152.99570	1.0
187.11314	4.8
201.12869	3.8
229.12387	1.0
231.10271	57.9
249.11320	0.7
275.19495	0.8
291.12408	100.0
305.13809	1.1
333.13504	3.4
513.20288	1.2
513.27124	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2117
Annotation	Gomisin E
Peak:m/z	Relative Intensity
58.92543	3.3
59.01387	34.9
64.10992	3.9
66.19156	3.3
71.01378	21.5
72.99325	5.0
85.02924	3.7
89.02434	25.3
94.98088	8.3
101.02437	9.0
113.02406	6.5
119.03500	4.4
119.86362	3.6
134.03748	19.5
149.06071	22.9
160.01678	5.7
175.04013	26.7
175.39989	4.0
193.05183	7.9
224.40131	4.2
227.13165	4.7
267.08798	25.0
439.16202	33.4
477.23544	5.1
492.42923	3.8
513.20837	100.0
513.27319	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61789	0.7
57.03463	1.8
59.01387	10.3
60.99310	11.3
62.71411	0.9
63.34390	0.7
71.01381	5.9
81.40013	0.7
83.05056	0.9
85.02940	1.4
87.00865	1.4
88.98800	100.0
89.02437	10.2
101.02444	6.8
111.08154	4.1
113.02457	3.0
124.19199	0.9
125.09719	3.4
126.10074	1.1
128.22090	0.7
134.06175	1.4
161.57471	0.8
172.09807	1.4
186.11348	1.3
207.10252	1.2
240.18900	0.8
241.36563	0.8
243.66342	0.8
245.33884	0.8
251.80055	0.8
326.21848	1.2
340.23294	1.1
408.57010	0.9
423.22406	8.8
513.26617	12.9
513.33942	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68744	1.0
59.01382	19.6
61.98812	2.3
65.02615	0.9
71.01360	6.6
72.01706	1.1
73.02927	1.9
85.02910	2.1
88.98784	1.7
89.02432	4.7
90.13190	1.1
95.01347	1.8
101.02411	8.2
113.02422	6.2
119.42931	1.1
121.51900	1.2
126.25388	1.2
127.04012	1.3
138.04997	1.4
145.08635	1.4
149.02444	2.4
163.04010	2.0
164.04790	10.0
165.05580	1.3
173.04478	1.6
175.00371	10.1
187.11227	1.6
190.02730	53.7
205.05080	85.3
205.07016	2.7
209.04530	1.5
223.06079	7.4
238.00136	1.3
245.24486	1.2
286.07480	1.4
307.13904	1.3
453.23959	1.4
483.12540	4.1
498.14914	2.6
513.23401	100.0
516.63330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2346
Annotation	Telmisartan
Peak:m/z	Relative Intensity
51.17426	1.1
51.58603	1.0
52.03979	1.3
53.34834	1.3
59.01389	45.8
61.98808	1.9
62.81097	1.2
71.01390	10.3
73.02937	6.8
83.01383	2.1
83.05022	1.4
85.02972	4.6
87.00858	2.6
88.41235	1.2
89.02403	2.1
92.23114	1.6
94.56867	1.5
97.02901	2.8
99.00839	2.3
101.02435	13.2
101.06020	2.4
101.99908	1.4
107.04993	1.6
113.02396	8.7
120.05740	1.6
126.60197	1.4
141.01865	1.6
161.04541	6.0
161.09674	8.0
161.13280	2.2
164.04738	2.3
175.00296	2.4
187.11201	9.8
189.09067	3.7
190.02731	16.6
195.15379	1.6
205.05051	21.9
205.12303	2.8
223.13312	2.2
249.59119	1.7
263.11279	6.6
305.12320	9.9
340.03391	1.6
401.09406	1.5
513.23199	100.0
529.73621	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47649	0.7
55.09127	1.0
59.01366	6.3
71.01363	4.0
71.85764	1.0
73.26389	0.8
76.46424	0.8
85.02931	1.6
89.02459	1.2
95.99758	0.9
99.00819	0.8
101.02424	5.5
113.02457	1.4
135.04579	1.1
147.00897	1.0
149.02440	2.1
163.03976	4.5
164.04793	10.1
173.04436	1.9
175.00388	7.6
175.19902	1.1
179.07068	1.2
190.01010	2.1
190.02730	61.7
205.05063	84.5
209.04541	1.9
223.06119	6.2
483.18390	2.0
498.21048	1.1
513.23370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51935	0.9
53.95989	1.0
54.45034	1.0
59.01145	1.0
59.01385	17.5
62.95713	0.8
68.53687	1.0
71.01379	27.8
73.02930	11.2
80.95289	0.9
82.97794	1.0
83.01376	6.2
85.02947	16.4
85.71717	1.0
87.00859	1.9
89.02444	8.5
91.83372	1.0
95.01407	1.6
98.73232	1.2
99.00874	4.5
101.02441	31.9
111.44116	1.1
113.02442	15.4
117.29697	1.1
119.03471	1.5
132.27806	1.2
143.03531	1.9
159.03015	1.7
161.04570	8.8
197.33530	1.5
291.18188	5.7
351.21851	2.5
367.60196	1.3
453.23474	100.0
513.20160	1.5
513.27045	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2709
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
50.61161	0.4
51.64292	0.4
59.01390	4.7
60.99296	0.7
71.01369	3.7
73.02928	0.9
76.17754	0.6
83.01385	0.5
85.02946	1.0
88.98786	3.1
89.02425	2.2
101.02421	4.5
108.51406	0.5
109.60471	0.5
113.02411	2.3
119.03514	0.5
121.42017	0.5
128.24036	0.5
155.37862	0.5
161.04523	0.8
291.20010	0.5
315.19821	0.6
333.20743	3.4
351.21835	3.9
405.09790	0.6
483.13202	0.9
495.26147	1.3
513.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2713
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
52.18890	0.7
52.46827	0.6
59.01386	11.9
66.61131	0.6
71.01374	15.7
72.99306	2.7
73.02946	5.7
73.92127	0.5
83.01392	2.8
85.02946	5.8
86.52676	0.6
87.00887	0.8
89.02435	7.6
95.01395	0.9
97.69389	0.7
99.00883	2.4
101.02438	20.0
109.53909	0.6
113.02438	8.9
119.03471	2.7
125.02430	1.0
131.03526	0.9
161.04562	4.1
161.27924	0.6
177.12839	0.6
210.72717	0.6
221.06697	0.9
267.83539	0.7
289.21695	1.1
291.18204	1.2
305.21283	0.9
311.18167	0.7
333.20724	15.8
341.11172	0.9
351.21802	28.1
453.18848	0.7
453.23468	37.3
513.27148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99501	0.3
59.01382	4.0
65.87051	0.3
69.46735	0.3
71.01374	2.7
73.02928	0.7
74.15915	0.3
80.74673	0.3
85.02943	0.6
89.02422	3.5
99.00853	0.4
101.02429	3.8
113.02429	2.0
116.26090	0.3
119.03481	0.6
161.04536	0.7
188.66765	0.3
213.01366	0.3
235.08157	0.9
253.09297	11.3
255.23335	0.7
275.20166	0.5
277.21747	100.0
338.25681	0.4
513.29016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02200	0.3
56.15919	0.3
59.01374	4.1
71.01369	2.7
83.01438	0.4
85.02964	0.5
88.31699	0.3
89.02427	3.4
101.02428	4.1
113.02447	1.8
119.03486	0.6
140.79837	0.3
161.04575	0.6
164.34210	0.4
167.76978	0.4
209.15823	0.3
233.22758	0.4
235.08302	1.4
238.37102	0.4
253.09306	10.9
277.21747	100.0
280.17178	0.3
290.41562	0.4
393.78958	0.4
428.74710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3188
Annotation	Serratamolide A
Peak:m/z	Relative Intensity
50.06165	0.7
54.37341	0.6
59.01375	1.8
59.75453	0.7
59.98436	0.8
67.49988	0.8
69.84496	0.8
73.02934	1.3
89.02461	1.4
92.22624	1.1
99.00883	2.1
101.02440	1.2
111.07414	1.7
111.08157	29.4
113.02451	0.9
125.09715	27.8
127.39240	0.9
152.10820	8.7
156.10336	1.2
170.11871	35.7
171.63097	0.8
172.09785	22.3
174.49731	0.8
186.11378	17.3
196.09804	3.9
197.11917	1.5
198.12105	1.0
264.19870	1.2
278.21271	5.2
308.18649	9.7
322.20294	15.1
326.19794	30.0
340.21317	28.4
362.70450	1.0
418.46191	1.0
456.19150	1.0
513.24451	4.1
513.31824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36849	5.0
53.93051	4.3
76.12514	5.1
83.46323	5.9
87.05794	5.3
123.50459	5.7
395.81329	5.5
396.09052	6.1
398.88907	7.1
443.72702	6.5
453.08612	7.2
482.08859	100.0
514.11432	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
75.00861	8.0
89.02438	1.1
93.03393	0.9
117.01990	1.0
118.28777	0.7
135.03000	100.0
135.04471	8.0
161.02452	1.4
162.19917	0.8
173.04550	8.4
179.03519	13.9
191.05595	1.8
201.59886	0.8
229.76042	0.9
297.06186	40.5
353.08832	1.2
406.85110	0.9
451.12463	5.1
454.66846	0.8
481.57855	1.0
514.15924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36027	0.4
61.47509	0.4
70.52097	0.4
72.92739	0.4
75.59146	0.4
79.16917	0.4
79.30206	0.4
84.19304	0.4
91.61061	0.4
123.18104	0.5
143.37157	0.4
191.69092	0.5
239.49579	0.5
250.05098	1.9
262.05109	1.9
264.06641	3.7
265.07486	1.9
275.05930	0.6
276.06729	3.4
278.04617	53.4
292.06235	5.9
293.06979	7.5
308.09238	0.6
322.03653	2.6
336.05185	0.8
337.05969	4.2
352.08310	100.0
355.26285	0.4
465.57114	0.5
495.88400	0.5
514.13574	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43890	0.6
53.30912	0.6
60.02589	0.6
64.87471	0.6
66.32478	0.7
75.72410	0.7
77.93163	0.8
89.16789	0.7
91.95948	0.8
133.05298	4.4
134.03729	6.1
149.06076	3.4
160.04027	11.7
161.04816	100.0
162.05576	3.2
176.07173	34.9
193.04997	0.8
214.92094	0.7
250.06361	4.0
265.08594	0.9
277.07480	5.2
277.36966	0.7
278.05899	7.9
279.06595	0.9
290.08176	0.9
291.08762	2.2
292.09961	1.4
293.08154	4.7
300.06668	3.0
301.07401	5.6
302.08316	1.4
305.06879	3.8
306.08008	0.8
315.57462	0.6
316.09729	4.4
318.07678	1.1
331.08411	1.5
332.09204	4.2
346.10574	1.2
454.13150	1.0
470.16159	49.0
514.15076	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61708	1.5
60.60778	1.6
87.16856	1.9
103.31878	1.8
146.03725	2.4
164.04761	3.2
179.07141	11.0
205.50693	1.9
272.50287	2.4
275.96872	2.0
278.04581	2.9
305.03320	73.9
306.04114	100.0
320.05701	75.0
321.06427	19.3
335.08047	59.8
336.08762	27.9
483.04709	2.6
496.14090	3.8
514.15326	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
65.78854	0.6
133.05328	1.5
134.03714	7.6
141.87166	0.8
147.03233	0.8
149.06062	4.7
160.04008	10.7
161.04820	100.0
162.05598	5.0
166.55792	0.7
173.04591	0.9
176.07166	42.2
180.72096	0.7
193.05003	1.1
250.06276	3.4
277.07507	4.9
278.05771	7.1
291.09106	1.5
292.09900	1.3
293.08160	3.7
300.06567	3.0
301.07440	4.3
304.06155	0.8
305.06927	3.3
306.07666	1.3
316.09735	3.5
320.09210	0.7
331.08374	1.0
332.09360	4.3
369.54901	1.0
383.79184	0.9
454.12781	0.9
470.16135	58.6
514.15063	42.4
514.27057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02010	0.4
57.39719	0.4
57.70501	0.5
61.98833	100.0
77.73463	0.5
78.23304	0.4
97.21307	0.5
99.63188	0.5
125.45490	0.5
126.52623	0.5
141.58905	0.5
155.31900	0.6
166.05217	0.5
181.11217	0.6
199.11366	0.6
209.11740	0.8
210.12213	0.6
308.05670	5.7
514.32654	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92389	0.4
72.53036	0.5
79.00980	0.4
83.05021	0.7
88.49919	0.4
111.08154	18.5
125.09727	0.4
128.10780	1.8
170.11864	4.3
172.09798	100.0
195.56245	0.5
266.33786	0.5
325.21411	0.6
343.22403	4.5
514.34674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72735	0.3
54.04420	0.3
59.01377	0.4
65.44434	0.4
69.72453	0.3
72.14813	0.3
83.58549	0.4
88.48590	0.3
89.93611	0.4
92.23143	0.4
97.06573	1.6
97.63850	0.4
116.93662	0.3
125.05342	0.4
125.09709	22.4
142.12390	1.5
156.10255	3.6
158.08195	1.9
158.73076	0.4
169.08638	0.4
170.11867	2.6
172.09808	2.2
186.11362	100.0
357.24042	5.6
364.66949	0.4
514.27209	0.5
514.34625	0.8
531.23206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82874	1.2
61.39982	1.1
71.01402	1.1
86.51993	1.3
93.03450	13.0
111.04494	1.7
112.72041	1.4
117.85197	1.4
119.05031	13.7
133.02930	2.8
137.02473	3.3
155.03529	6.4
163.04016	30.1
173.04550	100.0
177.01930	90.1
191.05647	2.7
281.09329	1.6
337.09375	46.5
392.66608	1.8
425.65488	1.6
452.21680	1.5
485.06012	1.6
526.85858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20156	1.8
72.99309	25.3
75.56797	2.1
76.02821	1.7
93.03478	2.4
111.00888	25.9
111.04530	4.7
120.57253	2.0
123.04507	9.7
135.04524	38.0
135.70692	2.1
135.87132	2.2
143.74940	2.3
155.03477	2.5
173.00992	2.3
173.04584	3.7
179.03491	100.0
191.05620	67.6
197.04555	45.6
203.87694	2.4
262.52072	2.0
353.08875	10.4
359.09949	10.9
458.28424	2.3
497.13092	5.1
515.14069	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63543	0.8
59.60091	1.0
61.61230	0.9
72.99306	71.1
93.03439	1.4
107.35516	1.0
109.03007	1.0
110.97787	0.9
111.00856	1.4
111.04519	5.2
123.04511	15.3
135.04543	23.7
137.02466	1.0
147.41899	0.8
151.03964	1.4
168.01761	1.0
179.03513	74.5
191.05646	5.5
197.04578	100.0
268.73199	0.9
341.08899	1.2
341.83813	1.0
349.39798	0.9
359.09906	20.2
361.62177	1.0
479.11896	2.1
497.13199	18.2
515.14105	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25230	0.5
56.72480	0.7
57.82342	0.5
59.01382	1.4
63.12035	0.6
71.01372	0.7
78.95911	3.6
85.02979	2.3
87.00859	0.8
87.03741	0.6
93.03460	3.5
101.44145	0.6
111.04518	1.4
113.02409	1.6
114.85223	0.6
116.44471	0.9
119.03461	0.8
123.75625	0.6
127.04056	0.7
134.03725	0.8
135.04527	26.2
137.02464	1.0
148.09537	0.8
151.82460	0.6
155.03462	2.8
161.02460	6.0
171.00606	1.2
171.12651	0.7
173.04544	13.9
177.05550	1.1
179.03506	100.0
191.05635	28.9
191.07370	0.9
323.07712	3.0
341.08701	10.6
353.08786	1.3
515.14117	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46627	1.3
57.40329	1.2
59.22338	1.4
67.95588	1.5
72.99302	59.5
73.58789	1.4
83.87083	1.4
84.10880	1.5
93.03446	2.2
114.83582	1.6
123.04513	17.1
135.04510	22.9
138.12045	1.6
152.74942	1.7
159.07857	1.5
179.03510	66.3
191.05522	9.0
197.04564	100.0
197.32501	1.5
359.09988	16.8
370.73419	1.9
497.12982	14.6
515.13977	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37162	1.4
58.24726	1.2
58.39793	1.2
60.99310	2.6
63.79656	1.5
71.01372	2.5
72.99301	37.2
73.10113	1.4
76.19559	1.3
88.98796	21.6
89.02421	7.0
93.03423	13.6
103.02142	1.5
107.98084	1.5
108.78780	1.3
111.00879	2.6
111.04507	5.6
111.50967	1.3
115.00342	3.2
116.92852	2.9
121.82461	1.4
123.04513	11.2
127.82854	1.7
133.01431	9.4
135.04509	32.8
137.02461	2.1
155.03503	5.7
161.02365	1.6
173.04539	41.9
173.57285	1.5
179.03502	100.0
191.05655	14.6
197.04576	57.9
212.60188	1.3
233.57602	1.5
328.02158	2.0
341.08847	12.9
359.09930	16.2
371.58786	2.4
425.16559	2.0
497.13232	10.3
500.27673	2.1
515.14160	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73396	0.9
55.65832	0.8
56.51477	0.8
64.61415	1.0
72.99308	70.1
79.42579	0.9
82.85934	1.1
93.03461	1.8
99.80656	1.3
103.90911	0.9
111.00850	1.8
111.04506	3.9
113.78346	0.8
123.04513	16.8
135.04529	28.9
151.04105	1.1
179.03513	77.5
191.05652	7.0
197.04575	100.0
218.19809	0.9
249.40103	0.9
281.35406	1.0
341.08847	1.3
359.09879	18.4
373.85403	1.1
475.38235	1.1
479.11868	2.2
497.13062	19.6
515.14124	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27390	0.7
61.47927	0.7
62.43507	0.7
65.80465	0.9
68.52407	0.8
70.52798	0.7
72.99317	5.7
73.91286	0.9
87.00861	1.3
90.26576	0.9
91.87477	1.0
93.03493	6.7
97.35961	0.8
111.00870	1.4
111.04507	3.5
123.04519	1.0
135.04517	32.9
155.03502	1.3
158.22923	0.8
161.02440	1.7
173.00957	1.0
173.04568	5.7
179.03499	100.0
191.05621	65.6
191.07399	1.4
197.04562	8.5
263.59686	0.8
276.13388	0.8
309.10907	0.8
341.08865	4.3
353.08810	6.5
359.09872	1.3
515.14087	67.5
526.47241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03943	1.4
50.38029	1.2
53.46508	1.3
65.77340	1.5
72.99303	64.8
73.20744	1.5
73.66201	1.4
111.04581	2.0
111.55767	1.6
122.06070	1.6
123.04509	19.4
131.54443	1.5
135.04533	23.9
143.83170	1.5
174.70280	1.7
179.03499	66.2
191.05547	3.8
191.63684	1.6
197.04556	100.0
219.82394	1.8
247.57990	1.6
270.25995	1.6
284.61398	2.0
359.09912	20.8
390.75351	1.7
479.12115	3.4
482.30121	1.9
497.13034	18.1
515.14105	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72702	0.3
54.39111	0.4
55.20873	0.4
58.53945	0.4
59.53101	0.4
64.79549	0.3
67.04865	0.4
72.99305	67.9
73.49870	0.4
78.02614	0.4
93.03439	2.2
108.02269	0.4
111.00873	2.4
111.04507	3.8
123.04519	16.3
135.04529	25.2
136.50015	0.4
151.04060	1.6
153.05608	0.6
155.03477	1.0
160.99452	0.5
178.02597	0.5
179.03513	72.6
191.05652	1.0
197.04572	100.0
215.05675	0.6
219.47012	0.5
221.04454	0.5
225.19411	0.4
253.18544	0.4
283.79852	0.5
341.08762	2.0
359.05371	0.6
359.09879	19.5
479.12018	3.9
497.13089	17.4
515.14124	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.30756	0.6
61.73043	0.5
71.01377	2.7
93.03463	11.0
99.09025	0.6
111.04503	3.2
135.03484	1.2
135.04520	27.1
137.02454	4.8
155.03514	3.7
161.02466	4.7
161.35919	0.6
173.04552	42.3
179.03508	100.0
179.91049	0.7
181.16159	0.6
191.05627	19.8
231.55573	0.7
335.07574	1.0
341.08804	18.5
353.08673	2.9
425.10818	0.7
434.59067	0.8
455.11752	1.1
515.14124	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11482	0.4
53.83145	0.3
58.55698	0.4
59.01360	0.9
65.64896	0.4
65.92741	0.4
68.22375	0.4
71.01372	0.6
72.99303	62.4
73.02892	0.4
76.08400	0.4
90.78513	0.5
93.03448	3.2
109.02918	0.7
111.00877	2.4
111.04472	3.3
120.99621	2.1
123.04507	17.6
128.89175	0.5
133.01418	0.7
135.04526	27.7
137.02457	1.6
138.74669	0.6
151.03984	1.0
155.03545	1.1
155.51768	0.5
173.00836	0.6
173.04559	7.4
179.03505	76.4
191.05620	1.7
197.04564	100.0
239.05746	0.6
341.08810	3.5
353.08942	0.7
359.09882	24.7
402.50510	0.5
426.47882	0.5
479.12018	3.8
497.13055	16.5
515.14142	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99574	0.6
59.01389	7.5
62.97623	0.7
67.85052	0.7
69.58590	0.7
71.01378	5.0
89.02426	5.8
100.93744	0.6
101.02435	4.1
113.02457	2.7
119.03471	2.9
161.06030	1.0
161.09737	3.3
176.08389	2.5
185.09711	3.2
187.11267	16.8
203.07158	1.0
203.09015	28.1
221.09976	4.7
229.12300	0.8
231.10252	1.1
245.89853	0.8
247.08078	1.4
265.09003	1.5
291.14783	0.7
296.97583	0.7
352.38556	0.8
411.16776	1.4
413.02118	0.7
427.14337	100.0
515.16003	90.3
515.23865	1.5
515.27515	1.0
540.16199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.1
64.09050	1.2
71.01375	20.2
73.02940	25.6
78.95907	1.3
81.03449	1.5
83.05016	6.7
85.02951	3.4
89.02428	29.7
93.03445	51.7
99.00870	9.5
99.04501	7.4
101.02438	12.5
111.04509	37.6
113.02432	8.4
119.03500	13.1
129.01920	2.8
137.02448	24.0
143.03503	7.7
148.57274	1.5
155.03484	17.5
161.04556	2.8
171.00612	2.1
173.04543	100.0
179.05606	3.4
212.50092	1.6
289.48337	1.6
320.10373	1.5
341.10907	93.4
511.80283	1.3
515.16223	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.3
67.27251	1.4
71.01370	13.4
72.99294	2.4
73.02945	20.1
83.05031	3.8
85.02944	3.2
89.02436	24.2
93.03453	46.3
99.00891	9.3
99.04513	2.6
101.02422	10.9
101.44458	1.5
111.04513	25.5
113.02438	8.2
119.03481	10.0
137.02437	20.4
142.56131	1.8
143.03453	6.7
155.03465	14.6
173.04547	100.0
179.05643	6.2
185.06914	1.6
219.01563	2.6
276.45981	1.7
293.01437	2.5
306.59698	2.0
341.10913	90.9
455.06738	1.9
515.08661	8.8
515.16028	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03120	0.9
56.87835	1.0
57.16046	1.0
59.01382	100.0
71.01375	12.9
74.86733	1.0
80.58027	1.2
85.02984	2.3
89.02438	12.1
93.03442	3.0
101.02433	9.0
107.05054	1.4
109.06721	1.1
113.02418	9.2
119.03465	3.0
120.05779	1.8
129.66740	1.1
157.06531	1.6
159.08186	2.4
161.13376	16.4
173.04541	13.1
174.92607	1.5
187.11298	44.4
205.12340	34.0
211.02045	1.5
223.13417	5.4
229.12289	8.6
247.13380	2.7
249.11372	8.1
265.14563	2.5
267.12347	2.6
270.06152	1.3
291.12427	1.2
309.13486	56.9
384.80170	1.5
411.16486	3.1
429.17816	4.8
471.18820	23.8
515.16541	2.1
515.28564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87303	1.4
60.14332	1.3
60.58817	1.4
71.01381	3.9
72.99300	51.6
75.14888	1.4
76.03928	1.6
88.41538	1.5
96.96020	13.4
101.02488	1.8
111.08145	2.2
111.84722	1.6
119.60612	1.5
123.04521	10.9
135.04543	13.5
155.07057	2.4
161.90686	2.0
174.62456	1.9
179.03491	55.8
197.04572	100.0
229.58824	2.0
273.45016	1.8
303.86487	1.9
359.09692	23.4
473.68677	1.7
515.17700	79.8
515.28766	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01370	13.9
73.02961	2.7
74.74738	2.3
75.18963	1.7
80.79703	1.7
83.05014	2.8
85.02944	2.3
89.02447	11.7
93.03461	3.5
99.00910	2.0
101.02415	9.6
111.04543	3.1
113.02444	10.0
113.47315	2.0
115.04022	2.5
119.03461	3.2
125.09639	2.6
134.06126	11.3
161.13377	12.4
171.10202	3.3
173.04550	2.8
178.05130	3.5
185.13387	2.4
187.11288	35.2
191.05640	48.7
201.11311	17.6
205.12352	44.3
209.12021	6.3
223.13484	4.1
229.12396	2.5
235.13420	8.2
243.02635	2.2
246.76042	2.3
249.11266	3.4
309.13474	53.4
339.57053	2.2
341.19711	11.2
411.16708	7.4
429.17883	4.4
445.51895	2.3
471.18781	31.4
515.17639	3.1
515.24866	10.8
515.28326	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83001	0.9
59.01378	100.0
59.82573	0.7
71.01373	20.8
71.94168	0.8
85.02926	1.0
89.02438	28.4
98.11152	1.0
101.01871	0.9
101.02411	9.2
108.48109	1.0
111.00825	1.8
113.02431	8.8
119.03477	9.9
124.48927	0.9
143.03461	1.6
149.33189	1.0
161.04562	3.8
175.10655	1.0
179.05603	21.6
226.52338	1.0
303.97488	1.0
515.21802	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42417	1.4
59.01099	3.1
59.01383	71.7
71.01379	23.5
73.02940	2.2
75.54322	1.4
80.63538	1.4
83.24651	1.4
85.02953	8.2
87.00870	100.0
89.02451	26.7
95.63574	1.7
96.95997	20.7
101.02419	17.3
102.24625	1.8
113.02447	14.4
119.03495	3.3
119.96079	1.6
127.79426	1.7
161.04579	16.6
168.25446	1.6
177.09299	3.4
179.05620	6.3
287.72037	1.7
349.97610	1.8
357.11154	2.9
357.15616	73.8
500.63464	1.7
515.20947	10.6
515.28162	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59130	0.5
59.01390	0.6
59.70465	0.6
63.87390	0.5
69.04923	0.6
69.90255	0.6
78.95902	39.3
78.96368	1.3
94.87292	0.5
96.96976	4.2
116.47613	0.6
147.51640	0.7
150.98094	0.6
152.99586	100.0
168.91545	0.7
171.00635	2.3
190.85181	0.5
221.66199	0.6
271.09863	0.6
279.23331	2.9
433.23639	49.1
515.23944	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93044	0.5
59.01364	1.0
78.52644	0.5
78.95900	39.8
91.64432	0.5
96.96952	3.4
101.41515	0.5
102.87525	0.5
119.66360	0.6
128.90147	0.7
152.99582	100.0
171.00607	1.3
176.65520	0.5
181.59012	0.6
279.23306	3.1
281.77554	0.6
332.83755	0.6
433.23630	49.4
456.92398	0.7
515.23712	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44386	0.2
79.91711	0.2
88.45444	0.3
93.38161	0.2
130.90022	0.3
157.32765	0.3
177.52669	0.3
182.85577	0.3
396.17410	0.3
430.21866	0.3
443.22363	2.8
445.24390	0.4
456.23361	1.8
457.20627	0.7
458.21085	1.0
462.20782	0.6
470.63455	0.3
471.20837	0.7
471.25473	2.0
472.18436	1.4
472.22781	3.0
473.23715	1.3
476.22418	0.4
482.21295	3.2
485.19861	3.0
487.25534	4.6
488.22525	1.2
497.23599	4.8
499.21542	5.7
500.22220	11.8
500.29330	0.5
513.22858	0.4
514.23645	1.4
515.24597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
59.01380	43.6
59.69186	1.1
62.37979	1.0
65.04488	1.0
65.27691	1.2
71.01009	1.7
71.01378	26.9
73.02928	9.5
83.01387	5.9
85.02953	16.3
87.00842	2.6
89.02446	16.9
95.01373	2.5
97.02924	6.7
99.00866	1.4
101.02435	35.1
111.00864	6.6
113.02447	17.7
115.04012	17.4
116.05733	1.3
119.03483	6.2
149.13342	1.7
219.13951	1.3
225.14915	5.9
237.14980	1.8
353.16299	1.2
387.20230	7.1
399.20322	14.7
417.21362	72.6
514.04633	1.3
515.25006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97165	1.1
59.01112	2.4
59.01383	48.6
66.16348	1.2
71.01379	29.9
72.99296	5.6
73.02932	8.0
83.01366	2.5
85.02958	9.9
87.00854	2.1
89.01957	1.4
89.02444	27.5
92.69592	1.3
97.02945	2.4
99.00803	1.2
101.02437	28.5
111.00880	2.6
113.02433	15.5
115.04028	14.8
119.03445	8.0
151.86931	1.3
163.07552	1.2
167.10724	1.5
175.14888	8.4
205.50958	1.5
225.14983	1.6
289.74869	1.3
387.20190	5.3
399.20068	6.8
417.21347	59.3
515.24854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07459	0.3
59.01377	2.3
61.00168	0.3
61.98832	0.7
67.01886	3.5
69.12617	0.4
71.01372	2.0
73.02936	0.4
75.97786	0.3
85.02957	1.6
89.02418	2.1
90.77798	0.4
101.02440	1.9
111.00871	100.0
112.83673	0.4
113.02389	0.8
139.95984	0.4
152.99567	0.4
161.04701	0.6
191.05594	0.6
321.02832	1.7
322.03275	4.2
322.66052	0.4
323.03964	2.0
335.22189	0.4
337.05557	1.9
351.07492	0.5
352.07877	1.6
353.08844	0.7
403.23984	0.5
485.09351	1.8
515.13947	8.5
515.25391	3.4
515.28589	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45342	0.6
59.01383	100.0
61.98843	1.4
68.83866	0.8
70.36134	0.6
71.01360	6.0
85.02959	0.8
89.02444	14.0
98.56213	0.6
101.02448	3.9
102.68458	0.8
113.02437	4.5
115.32837	0.7
119.03466	5.1
125.42294	0.6
143.03473	1.0
179.05606	11.9
191.05533	1.2
193.92303	0.6
228.58676	0.7
258.40277	0.8
345.33493	0.6
368.80554	0.7
515.25763	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45342	0.6
59.01383	100.0
61.98843	1.4
68.83866	0.8
70.36134	0.6
71.01360	6.0
85.02959	0.8
89.02444	14.0
98.56213	0.6
101.02448	3.9
102.68458	0.8
113.02437	4.5
115.32837	0.7
119.03466	5.1
125.42294	0.6
143.03473	1.0
179.05606	11.9
191.05533	1.2
193.92303	0.6
228.58676	0.7
258.40277	0.8
345.33493	0.6
368.80554	0.7
515.25763	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2786
Annotation	Sampsonione Q
Peak:m/z	Relative Intensity
59.01384	7.2
66.04704	1.3
66.80145	1.1
76.87648	1.4
78.95911	22.6
144.22844	1.4
152.99577	55.5
163.01657	14.1
171.00681	2.1
174.72050	1.4
190.46063	1.4
237.05368	2.6
277.21744	100.0
280.20319	1.4
433.23511	15.3
515.27887	83.8
515.37799	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2865
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01872	0.8
57.03448	0.9
59.01385	21.3
71.01379	18.3
72.99285	0.9
73.02943	7.1
75.00867	0.7
80.96518	1.0
83.01388	2.8
83.05042	0.6
85.02941	8.4
87.00871	4.4
89.02445	13.6
95.01401	1.4
99.00826	1.2
101.02441	20.3
105.01932	36.8
113.02431	10.7
115.32285	0.7
119.03508	6.7
131.03485	1.0
131.61296	0.6
145.08665	1.2
159.02988	1.1
161.04536	1.2
173.04477	1.1
191.05614	9.4
201.11348	1.2
209.11917	1.0
218.28676	0.7
225.00865	0.9
273.18576	1.2
293.21237	18.2
335.22137	0.8
341.19748	0.9
353.23322	11.8
512.77948	0.8
515.28705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.7
61.98822	3.1
73.02960	1.9
113.02457	2.6
114.40411	1.6
114.86444	2.1
121.10255	15.8
121.15512	2.2
129.04642	1.9
145.20493	1.9
171.10303	17.3
181.17004	2.0
185.11888	1.8
195.13893	3.5
255.50871	2.1
275.20242	27.1
293.21262	100.0
295.75192	2.1
299.20358	3.0
317.21216	30.7
326.83459	2.1
335.22186	2.8
431.87363	2.1
515.23682	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2868
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01871	1.4
59.01106	1.0
59.01383	19.5
66.91618	0.6
71.01011	1.1
71.01378	20.1
73.02936	5.5
83.01378	2.7
85.02951	8.2
87.00860	1.0
89.02447	13.1
94.98056	0.6
95.01357	1.1
99.00862	2.9
101.02439	20.2
113.02451	10.5
119.03490	6.0
129.01872	0.6
131.03465	1.0
143.07114	3.2
159.03044	0.8
161.04561	4.6
164.72636	0.5
205.05225	0.7
226.83702	0.6
246.57977	0.6
273.18756	1.4
279.62186	0.7
293.21317	23.2
309.11816	1.1
353.23389	16.8
515.28668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02307	0.5
55.01868	0.6
59.01103	0.9
59.01382	22.1
71.01381	19.0
73.02934	5.0
79.34398	0.5
83.01382	3.2
85.02943	10.0
86.05756	0.7
87.00864	1.0
89.02443	13.8
95.01389	0.9
96.96004	8.4
99.00859	1.2
101.02439	22.9
108.84475	0.5
113.02444	20.8
119.03489	6.2
129.01955	0.9
142.59944	0.5
150.69972	0.5
159.03023	1.0
161.04509	2.2
163.03961	0.5
191.05592	1.0
192.03076	0.6
231.56743	0.6
293.21231	11.5
353.23364	19.2
468.12115	0.9
515.28662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23797	0.6
62.74443	0.6
66.21352	0.6
71.01369	0.7
74.83453	0.7
88.04010	0.7
90.60358	0.7
95.73667	0.7
97.06616	1.1
98.02451	2.9
101.07198	21.2
103.43343	0.7
107.05030	0.8
110.06105	0.7
111.05609	1.5
111.69488	0.7
113.07198	1.1
120.04547	22.0
121.02940	9.4
124.93320	0.7
127.05151	13.1
128.07173	0.9
129.43297	0.7
130.08731	24.5
133.06580	0.9
133.53418	0.7
134.06111	4.1
136.25220	0.7
137.07199	1.5
142.26295	0.7
146.06128	9.1
149.22392	0.7
160.07715	7.7
171.07745	2.9
197.12952	1.2
202.07413	0.8
203.08289	3.5
204.06670	40.9
213.19809	2.9
226.10909	4.6
235.10907	3.2
257.18777	4.1
270.12537	0.9
288.13474	3.6
306.14633	100.0
328.22516	3.3
417.67917	0.8
515.21326	1.3
515.28827	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05122	0.3
50.67654	0.2
50.87905	0.2
51.73528	0.3
53.65913	0.4
57.41718	0.3
59.01380	3.3
62.67287	0.3
65.85233	0.4
71.01374	1.8
85.02952	0.4
87.00867	0.3
89.02452	2.3
101.02430	3.2
113.02409	1.2
119.03491	1.3
119.56750	0.3
161.04599	0.5
253.09317	9.8
279.23306	100.0
515.32910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87838	0.4
56.14155	0.4
59.01368	2.5
139.78687	0.6
169.12363	2.0
181.12338	10.2
199.13409	100.0
205.26654	0.5
293.64636	0.5
515.28510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13252	0.4
57.91738	0.4
59.01390	4.3
65.37405	0.4
71.01375	3.0
85.02962	2.7
89.02463	0.9
91.53057	0.4
95.01373	0.6
111.04501	0.8
113.02434	4.2
116.92844	0.5
139.03975	3.5
161.04663	0.8
169.05054	0.9
186.25134	0.5
255.23323	100.0
344.96484	0.6
367.28387	1.1
375.50601	0.5
395.28058	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.77026	0.3
61.98827	0.3
71.01387	2.6
73.02940	0.4
85.02956	0.3
86.29668	0.3
89.02441	3.4
90.48676	0.3
101.02439	3.2
107.81213	0.3
113.02425	1.4
119.03526	0.4
148.83784	0.4
161.04604	0.5
167.53737	0.3
235.08255	1.3
253.09317	10.2
261.22324	0.5
279.23309	100.0
401.01746	0.3
515.31610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34101	0.4
59.01377	4.5
61.98826	2.9
71.01370	3.2
74.98911	0.5
85.02962	0.8
88.72696	0.4
89.02431	0.9
90.85747	0.5
97.69431	0.5
101.02416	0.6
111.04559	0.9
113.02452	4.2
119.03524	0.8
139.04007	3.0
161.04527	0.8
255.23312	100.0
269.24719	0.6
367.28574	1.0
395.28351	0.8
515.33917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27002	7.8
51.09867	5.7
53.10050	5.7
58.46950	7.4
86.16621	8.6
92.22472	7.4
101.91112	7.5
136.05276	10.7
151.07639	100.0
272.79156	7.4
419.35272	75.9
479.37433	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3512
Annotation	Salignarine A
Peak:m/z	Relative Intensity
56.37429	5.7
59.01398	6.1
61.15123	5.5
88.01808	6.2
112.59001	7.0
116.68298	6.6
136.05338	11.8
151.07663	92.0
181.31384	5.8
189.81058	6.7
237.80215	6.6
419.35336	65.0
470.02374	6.9
479.37427	13.8
515.34930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00476	3.7
63.23177	4.7
73.87292	4.0
74.82013	4.0
130.70567	4.5
161.48334	5.3
163.11301	100.0
163.53069	4.4
229.32895	4.7
270.49060	4.4
339.23260	55.6
479.37863	6.5
515.35162	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62527	0.9
61.15680	1.0
79.05392	1.0
83.00291	0.9
137.06079	1.8
163.11276	9.2
332.39380	1.1
339.23331	100.0
341.30499	1.8
351.23300	5.5
389.90063	1.1
419.35382	4.3
515.27917	2.4
515.35364	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04411	2.0
58.40361	1.9
80.97353	2.1
83.01387	4.0
135.52528	2.2
157.05025	2.7
164.05482	2.7
255.23322	100.0
413.29004	10.8
456.29684	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86945	0.5
53.05864	0.4
54.43888	0.4
60.56122	0.4
79.95737	92.3
80.96517	13.4
136.10510	0.6
172.78961	0.5
255.23256	2.4
411.11230	0.6
475.89374	0.7
515.37817	100.0
518.94434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98069	0.4
53.26176	0.5
60.45452	0.4
65.66477	0.5
67.36689	0.5
74.40576	0.4
74.63754	0.5
78.75341	0.5
84.05080	0.5
108.83929	0.5
114.70618	0.5
134.65331	0.5
142.06734	0.6
154.90027	0.6
160.04092	3.7
162.01942	1.0
162.05551	1.1
254.08356	1.9
264.06650	2.1
267.05338	1.0
280.06149	2.3
281.07181	1.8
282.05206	0.7
282.07861	6.9
283.06015	1.0
292.06268	2.3
294.04184	1.1
295.04825	0.8
308.05640	1.1
309.06500	2.2
310.07251	100.0
340.43433	0.6
354.06146	5.0
492.53491	0.6
507.12515	0.6
516.11481	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12758	0.4
53.18158	0.5
55.85537	0.5
57.81763	0.5
67.88762	0.5
97.01452	0.6
98.02457	2.6
105.03873	0.5
135.00893	0.5
136.01682	2.3
147.93315	0.6
162.01985	22.1
163.00368	100.0
164.01080	4.0
174.11369	0.5
178.99876	6.7
188.03622	0.8
190.05078	3.1
297.02844	0.6
310.07169	4.9
353.05396	2.3
354.06235	52.3
516.11505	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98069	0.4
53.26176	0.5
60.45452	0.4
65.66477	0.5
67.36689	0.5
74.40576	0.4
74.63754	0.5
78.75341	0.5
84.05080	0.5
108.83929	0.5
114.70618	0.5
134.65331	0.5
142.06734	0.6
154.90027	0.6
160.04092	3.7
162.01942	1.0
162.05551	1.1
254.08356	1.9
264.06650	2.1
267.05338	1.0
280.06149	2.3
281.07181	1.8
282.05206	0.7
282.07861	6.9
283.06015	1.0
292.06268	2.3
294.04184	1.1
295.04825	0.8
308.05640	1.1
309.06500	2.2
310.07251	100.0
340.43433	0.6
354.06146	5.0
492.53491	0.6
507.12515	0.6
516.11481	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	1.8
69.34615	2.0
72.91613	1.9
73.44152	2.0
80.14396	1.9
107.21779	2.1
109.02938	11.1
132.54192	2.5
134.02467	5.0
138.32047	2.5
142.75031	2.2
144.36290	2.2
162.01964	80.9
178.01489	4.3
280.06137	14.1
281.06985	11.2
282.07861	9.3
308.05676	12.4
309.06647	3.7
310.07294	31.9
326.06714	20.7
336.05103	12.0
353.05472	11.4
354.06265	73.5
355.82709	2.5
472.12543	3.9
516.11517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1305
Annotation	(-)-Neoacrimarine-J
Peak:m/z	Relative Intensity
61.12595	3.2
94.35867	3.5
101.20761	4.0
105.20119	3.3
105.45570	3.4
106.16127	3.2
109.02956	7.7
129.08698	3.3
141.28955	3.3
181.84604	3.7
354.89316	3.6
411.07596	5.0
412.08273	17.2
426.09924	12.7
440.07663	18.9
468.07074	15.4
472.13687	4.5
488.13577	5.5
498.12057	100.0
516.13062	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74531	0.8
55.97349	0.7
59.01360	0.8
59.26112	0.7
85.32790	0.8
86.23870	1.0
93.08883	0.7
93.09563	1.0
108.31886	1.0
135.24954	1.1
137.72754	0.9
156.54230	0.9
157.05453	1.0
183.42018	0.8
217.07437	0.9
301.16321	1.0
310.07245	1.2
323.04404	16.7
324.05167	66.0
338.06769	30.7
339.07498	38.4
339.10803	1.1
352.08154	6.2
353.09021	21.5
354.09845	31.7
486.10443	14.0
508.16830	1.1
516.15131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
77.48186	0.9
87.00909	1.1
96.96016	16.2
100.28414	0.9
106.15387	1.1
262.15894	1.0
296.05652	1.0
297.03049	1.0
309.06055	1.6
310.07065	1.6
323.04428	25.4
324.05154	82.2
338.06738	36.2
339.07489	42.8
344.72604	1.2
353.09073	30.9
354.06271	1.8
354.09842	52.4
516.15155	100.0
516.27936	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
71.01381	2.7
75.61428	1.3
85.02888	1.5
87.00864	17.2
89.02425	3.0
92.22485	1.6
101.02449	5.5
113.02426	1.8
144.77362	1.4
272.58340	1.4
284.75540	1.6
291.45416	1.5
323.04306	13.8
324.05179	60.2
338.06754	30.9
339.07553	39.7
352.08289	5.1
353.09106	14.8
354.09872	31.6
358.16049	8.0
486.10513	13.7
516.15155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75332	0.6
55.97636	0.7
59.01383	0.8
61.98517	0.7
70.56060	0.8
89.77994	0.8
96.03309	0.8
122.68127	1.0
223.85110	0.9
226.52904	0.8
309.06738	0.9
310.07474	1.2
323.04388	36.3
324.05115	17.6
338.06754	100.0
339.07489	17.8
353.05045	1.7
353.09119	31.6
354.09915	27.9
368.25339	0.9
504.68616	0.9
516.15259	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51832	1.3
54.89423	1.2
56.32198	1.3
56.71223	1.2
60.33094	1.4
61.98820	1.6
64.62663	1.3
77.95148	1.3
101.27560	1.6
121.98299	1.4
134.03659	1.9
135.75298	1.6
146.03738	22.2
149.06061	2.2
152.57414	1.3
161.06099	11.5
162.99525	1.6
164.04802	18.4
179.07144	40.8
227.28813	1.5
277.01053	1.5
278.04675	2.0
294.07764	1.9
306.04065	17.7
307.04919	49.6
308.05676	100.0
321.06348	6.5
322.07236	73.4
323.08041	34.9
323.11710	2.6
336.08813	66.8
337.09598	28.6
338.10464	34.5
445.96155	1.7
498.15463	5.9
516.16815	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08615	2.0
66.57220	1.9
71.69473	2.4
76.73067	2.2
85.90042	2.3
95.44322	2.0
116.83310	2.5
123.95925	2.7
152.99600	3.6
155.44374	2.8
164.38429	2.4
259.25613	2.5
308.05762	4.2
322.07129	4.8
350.06635	13.2
425.09131	9.8
436.08392	13.7
437.09021	31.2
438.09729	9.8
440.11520	5.9
441.08362	5.9
453.08478	27.3
454.13004	3.9
456.11057	29.3
467.14008	5.3
468.10867	71.8
482.12531	5.3
483.13187	15.6
486.15707	4.1
498.15662	100.0
516.16516	53.5
527.90991	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97058	0.8
59.01380	38.1
63.07770	1.0
76.85498	1.4
77.50115	1.0
90.02389	1.1
109.90089	1.2
132.57898	1.0
146.00797	1.1
174.08981	1.1
174.99246	24.8
201.02545	15.9
202.02670	2.4
214.95270	1.1
217.00320	100.0
228.65903	1.3
297.58905	1.1
343.03778	2.6
344.03772	2.0
355.56396	1.3
359.01550	12.7
369.24585	1.4
374.99234	52.5
517.00714	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84931	0.3
75.29554	0.4
75.94161	0.3
78.95903	37.4
87.00842	0.5
89.02439	0.6
93.17583	0.4
96.96956	100.0
109.00000	0.4
110.98523	1.5
167.04643	0.5
341.58466	0.4
356.28131	0.4
369.39307	0.5
419.12848	1.9
517.10516	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09276	1.2
67.01889	2.8
86.53452	1.2
91.40060	1.1
100.20099	1.2
111.00866	76.3
111.01991	100.0
137.74719	1.1
140.03477	1.7
149.81874	1.1
166.71126	1.0
197.04597	1.3
223.79774	1.4
283.58319	1.1
324.28482	1.4
333.85739	1.3
392.09622	1.4
405.11554	40.9
426.28540	1.1
517.13171	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.1
61.10141	0.6
68.99031	0.7
71.01376	4.4
73.02952	1.1
83.05032	4.5
85.02946	5.1
87.00862	2.6
89.02434	5.2
93.03437	3.4
99.08151	1.5
101.02452	2.9
111.00855	9.8
111.04513	1.0
113.02443	100.0
119.03465	1.4
145.08691	12.0
157.09137	0.7
171.10219	5.5
173.00888	1.0
173.04530	2.8
179.05646	0.9
191.05630	53.9
197.11864	2.7
201.11324	6.3
209.11836	3.0
209.15356	0.9
237.14983	6.0
241.10785	0.8
255.16142	5.2
297.90671	0.7
310.89960	0.8
343.21295	26.9
371.26245	0.7
467.75775	0.8
474.12546	6.7
517.26569	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51324	0.4
59.01377	0.7
65.59926	0.5
67.01878	0.7
71.01380	1.2
76.20813	0.5
85.02949	2.7
87.00876	2.3
93.03442	11.3
96.80595	0.5
108.02181	0.9
108.58252	0.5
109.02966	3.8
111.04529	2.1
113.74903	0.4
115.00363	0.9
119.05022	0.9
122.03716	0.6
127.03989	0.6
133.03062	0.5
134.03775	0.8
134.08966	0.5
135.04512	6.6
137.02495	0.9
149.06198	0.6
163.03998	4.6
163.94952	0.4
173.04539	9.0
175.03987	0.8
177.01840	3.7
178.02380	2.2
179.02400	0.5
179.03542	6.7
183.36862	0.4
185.57095	0.5
191.05630	100.0
193.05074	2.8
214.56114	0.5
226.06367	2.8
227.07072	1.9
255.10306	21.7
337.09338	24.2
343.08258	11.3
428.46088	0.5
517.14172	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42744	1.7
55.96874	1.9
59.01392	18.5
66.62994	2.0
67.01854	2.1
71.01381	9.8
76.40791	2.1
89.02448	10.3
101.02443	9.0
111.00872	48.4
113.02412	3.0
118.16102	1.8
119.03450	3.2
132.02135	2.6
134.03719	13.2
137.44981	2.7
146.03735	24.1
149.06042	4.6
160.01649	49.4
161.06070	15.7
164.04802	12.1
175.03998	100.0
179.07138	30.5
181.12338	23.2
187.86475	2.2
191.05565	2.9
193.05048	14.6
225.11296	30.9
269.83365	2.1
286.51227	2.1
326.82132	2.2
336.95258	2.2
337.09189	34.1
405.17670	67.2
517.17340	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54300	1.7
59.01380	14.4
67.64866	1.6
71.01382	9.9
71.51785	2.0
85.02945	4.6
85.82962	1.9
88.37536	1.9
89.02450	15.0
92.22547	2.6
101.02438	9.7
108.60299	1.8
111.00859	54.3
113.02402	2.3
114.80149	2.1
119.03477	3.9
129.74602	1.7
134.03760	11.5
146.03731	19.9
146.49667	2.2
149.06018	2.2
152.79817	1.9
160.01656	48.0
161.04822	1.8
161.06067	12.4
164.04785	13.7
175.04002	89.8
175.82059	2.0
175.93694	2.2
179.07155	32.3
181.12337	36.2
193.03441	2.8
193.04994	19.9
225.11287	50.6
337.09354	38.5
348.65659	2.1
403.12103	2.1
405.12421	3.8
405.17694	97.4
517.17426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01369	4.9
61.50169	0.8
61.98825	2.4
71.01383	10.5
72.24683	1.0
83.05006	4.3
87.00865	1.4
101.02409	1.3
109.06579	1.2
110.19591	0.9
111.00876	3.5
111.08152	87.9
115.00362	1.8
120.71375	1.1
129.09172	4.6
137.08093	0.9
140.20154	0.9
171.10190	1.2
173.08192	100.0
250.70078	1.0
271.11752	1.7
307.11908	1.5
317.21317	7.6
323.09271	1.3
327.21729	4.9
339.08707	5.8
339.82071	1.0
369.13162	3.9
421.51089	1.0
473.24939	1.5
517.22949	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74184	0.6
57.14655	0.6
57.17516	0.6
59.01380	2.8
70.39317	0.6
71.01387	0.9
72.99298	1.2
75.69794	0.6
87.00871	100.0
89.02433	1.4
101.02422	1.3
101.67990	0.8
113.02477	0.8
153.73167	0.8
164.04305	0.7
179.03539	1.4
180.02502	1.4
191.05644	1.5
195.04840	1.5
197.04611	5.8
359.10004	3.0
517.30200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2577
Annotation	Xyloketal J
Peak:m/z	Relative Intensity
56.38268	1.2
58.95250	1.2
62.82044	1.5
71.01365	1.9
82.59269	1.3
89.05383	1.5
92.22474	1.6
96.04734	1.4
149.10651	1.5
159.44817	1.4
228.60597	1.3
301.08997	1.4
384.52994	1.5
442.93005	1.6
458.74219	1.7
491.48236	1.6
517.19202	3.6
517.25775	100.0
534.53693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94510	4.2
59.01381	45.6
61.98822	5.4
63.23890	4.6
66.33061	3.9
71.01373	10.4
89.02484	15.7
101.02447	11.0
113.02434	5.6
114.05572	5.9
115.03356	5.4
119.03648	4.3
160.20868	4.7
205.48653	4.6
295.22766	17.6
355.25027	7.3
475.29199	6.2
487.88535	5.5
508.22083	5.3
517.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.258
Annotation	Xyloketal J
Peak:m/z	Relative Intensity
56.95560	1.8
63.17593	2.0
66.80209	2.0
99.87306	2.5
121.03112	2.4
226.08829	2.4
483.43387	2.6
517.25726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51669	1.4
57.03444	1.8
59.01381	100.0
61.98829	1.8
63.85096	1.4
65.99814	1.5
71.01377	8.9
73.02952	3.4
83.01379	1.9
85.02932	11.5
87.00883	6.7
87.04523	1.8
89.02452	6.0
93.03447	1.4
93.99562	1.5
99.00840	1.6
101.02444	10.4
111.00874	61.6
113.02440	9.9
127.04004	1.8
139.75435	1.5
148.65704	1.5
155.03568	2.6
173.00909	6.1
181.12378	1.6
191.05646	8.8
193.50917	1.7
199.13400	2.7
325.20313	1.6
343.21240	37.7
354.67401	1.6
383.20639	1.7
397.22375	29.0
415.23465	6.2
424.70599	1.8
457.24588	26.0
517.22498	5.6
517.29504	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.281
Annotation	Sativanine B
Peak:m/z	Relative Intensity
59.01372	1.1
61.64262	0.7
64.86034	0.7
67.67339	0.7
75.00895	1.1
76.25071	0.9
133.02930	5.0
134.03752	10.5
135.04530	2.1
137.02428	5.4
148.05295	5.7
149.06107	1.5
152.81769	0.8
152.99579	2.0
160.01640	20.8
161.02405	6.8
161.06081	1.9
162.03250	1.3
175.04001	58.5
178.02760	4.9
179.03577	1.3
193.05063	6.5
204.11670	1.3
219.03046	1.6
233.08072	1.2
247.09709	1.0
275.12936	1.7
281.24915	4.3
297.24423	13.6
329.17383	1.3
330.18466	1.6
343.19104	5.8
373.27533	1.4
385.23999	1.1
441.26471	5.2
473.28931	2.0
499.34274	1.0
517.28125	100.0
521.25024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2942
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
71.26707	1.1
78.95901	12.5
81.19161	1.1
87.05580	1.1
131.32559	1.3
152.99557	12.5
163.01649	11.1
236.14526	1.5
237.05321	1.8
255.06578	1.5
279.23315	100.0
354.49619	1.5
379.22141	1.5
517.29382	68.9
532.64410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01385	18.9
67.10696	0.8
71.01380	30.5
71.30314	0.7
72.69592	0.8
72.99289	3.5
73.02948	2.2
73.52632	0.8
74.31271	0.8
75.00847	0.8
83.11057	0.8
85.02933	5.6
87.00858	1.0
87.04540	1.3
89.02448	9.5
91.03995	1.1
96.69327	0.8
99.00932	1.2
101.02449	13.1
111.00904	6.8
113.02427	6.1
115.00365	3.9
116.06979	0.8
119.03503	1.6
145.02965	7.1
149.49249	1.1
151.00409	1.3
153.99405	0.9
165.09262	1.2
171.36479	0.9
183.10254	19.6
190.70180	0.9
191.05592	2.1
198.31442	1.1
231.99261	1.1
233.02850	1.1
271.19205	1.2
301.07135	7.2
309.20761	2.1
327.21848	11.5
337.23892	9.3
343.21390	1.1
355.24951	16.9
401.25571	4.1
517.30713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42872	0.9
59.01389	17.0
59.17672	0.8
59.31945	0.8
65.19341	0.8
67.01875	1.1
71.01382	4.3
73.02950	1.4
83.05030	1.9
85.02953	4.5
87.00872	4.9
87.04520	1.0
89.02436	1.7
93.03448	3.5
98.85686	0.9
99.08151	20.6
101.02438	2.1
111.00877	30.5
113.02441	1.1
123.08099	1.2
127.03963	1.0
145.08707	100.0
171.10242	8.5
173.00916	2.3
173.04625	1.4
191.05626	71.5
201.11349	10.1
209.15323	1.5
237.14983	4.8
244.56493	1.1
255.16003	7.8
290.06796	1.1
325.20078	1.3
343.21323	35.6
420.61810	1.0
480.97998	1.2
503.10959	1.0
517.26447	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
59.01108	1.2
59.01385	33.4
64.01421	0.9
71.01378	36.9
71.05023	2.0
73.02937	9.4
81.03448	6.4
83.01381	5.5
85.02940	15.6
87.00856	13.9
87.04493	4.5
89.02439	21.5
89.51216	1.1
95.01375	4.2
99.00879	5.9
99.04516	2.0
101.02435	29.7
113.02446	20.4
119.03493	6.4
139.51003	0.9
161.04546	5.2
179.05608	1.8
191.05653	9.8
225.10699	1.0
355.25247	1.3
409.88614	1.4
417.24857	6.1
481.27670	2.2
487.28775	1.6
499.29327	4.2
517.30231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84987	0.8
55.01880	0.8
57.03456	1.8
59.01105	1.2
59.01382	33.4
71.01376	34.9
73.02935	10.6
81.03461	4.6
83.01392	1.9
84.02107	1.1
85.02948	13.8
87.00864	13.2
87.04517	4.0
89.02438	26.8
94.22699	0.9
95.01392	1.9
99.00253	1.0
99.00871	4.5
99.04507	1.7
101.02442	31.9
107.52312	0.9
112.46242	0.8
113.02440	22.0
117.86020	1.1
119.03481	6.4
143.03448	1.2
161.04543	5.9
161.13297	1.2
174.58531	0.9
179.05670	1.7
191.05531	1.7
201.16228	1.0
246.51750	1.0
312.62274	0.8
327.05161	1.0
328.32764	1.1
353.03195	2.0
354.04236	4.7
355.04822	8.3
355.24979	5.2
399.23975	1.5
417.24857	4.7
499.28986	3.9
517.09906	6.0
517.30212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3177
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
51.10873	0.3
71.73100	0.3
82.53561	0.4
82.58692	0.3
82.81094	0.3
120.62608	0.3
155.81676	0.4
161.84630	0.3
421.27277	0.4
437.30658	13.2
441.30191	0.4
453.30011	0.5
455.31754	10.0
517.31769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3384
Annotation	Discarine L
Peak:m/z	Relative Intensity
59.01104	1.1
59.01384	22.6
71.01375	12.7
73.02932	1.6
75.00867	0.9
83.01390	1.7
85.42745	0.9
89.02438	5.1
101.02437	4.7
113.02428	3.3
115.34401	0.9
150.37544	0.9
181.92731	0.9
213.62845	1.0
248.09586	0.9
255.23328	63.4
269.24881	100.0
279.23309	4.3
297.24362	20.3
313.24121	1.1
327.25217	1.7
378.37115	0.9
437.40594	1.0
517.33856	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98757	0.3
58.42001	0.4
59.01392	3.0
62.24644	0.3
71.01382	1.8
87.00806	0.4
89.02426	2.5
91.42778	0.4
96.96810	0.4
97.18491	0.4
99.24413	0.4
100.19184	0.4
100.19839	0.4
101.02431	2.6
113.02404	1.6
119.03487	0.6
146.56200	0.4
161.04543	0.8
190.93663	0.4
197.11844	0.6
197.41481	0.4
235.08330	0.5
253.09329	8.7
281.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02573	0.2
59.01383	3.2
61.30918	0.2
71.01373	1.9
73.02936	0.4
76.30673	0.2
78.56290	0.3
78.57594	0.2
85.02926	0.4
87.00873	0.3
89.02429	2.6
89.10312	0.3
93.67762	0.3
100.36868	0.3
101.02444	3.1
104.31286	0.3
104.38056	0.3
113.02447	1.7
114.87068	0.4
161.04532	1.2
214.98354	0.3
235.08151	0.7
253.09314	8.1
281.24893	100.0
517.33978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62079	2.5
59.01101	4.6
59.01384	100.0
61.98838	2.9
64.32367	2.8
67.34872	2.8
77.43164	3.1
86.37722	2.7
89.02412	4.1
103.51443	3.4
233.71091	3.9
313.36304	3.6
517.37134	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98839	1.6
78.95918	10.1
125.09708	3.8
128.27203	1.5
152.99594	33.3
158.88623	1.7
186.11378	34.8
313.41595	1.6
517.25757	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37408	1.1
59.01376	2.7
71.01385	1.2
107.47302	1.1
115.00365	1.4
117.06293	1.2
138.02003	2.2
160.04051	1.6
162.05565	2.1
177.99030	1.8
188.03641	1.9
193.01414	6.8
224.44534	1.2
268.06082	1.2
269.07071	1.4
278.04611	1.8
279.05432	7.0
280.06155	28.6
296.05667	36.8
297.06430	28.8
310.06961	1.6
312.08804	86.8
323.04382	27.7
323.07831	2.2
327.38980	1.3
338.06769	32.4
352.17450	1.4
356.07843	17.8
467.11685	1.3
487.61487	1.4
518.13098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37408	1.1
59.01376	2.7
71.01385	1.2
107.47302	1.1
115.00365	1.4
117.06293	1.2
138.02003	2.2
160.04051	1.6
162.05565	2.1
177.99030	1.8
188.03641	1.9
193.01414	6.8
224.44534	1.2
268.06082	1.2
269.07071	1.4
278.04611	1.8
279.05432	7.0
280.06155	28.6
296.05667	36.8
297.06430	28.8
310.06961	1.6
312.08804	86.8
323.04382	27.7
323.07831	2.2
327.38980	1.3
338.06769	32.4
352.17450	1.4
356.07843	17.8
467.11685	1.3
487.61487	1.4
518.13098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61361	1.3
58.72779	1.1
72.99309	59.6
76.66405	1.6
79.53580	1.2
92.23071	1.7
105.37640	1.4
122.84377	1.6
123.04528	33.9
135.04523	44.5
179.03525	59.6
197.04573	100.0
216.81227	1.8
316.99817	1.5
427.28903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.6
67.01897	20.0
91.51112	1.3
106.15160	1.6
106.70392	1.3
109.02950	100.0
109.34062	1.3
179.12073	1.4
183.02968	21.6
274.08829	7.7
320.09525	2.1
332.63724	1.6
352.11899	6.5
384.08853	8.9
398.10437	1.8
399.11108	1.7
444.14578	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53234	0.6
61.98833	100.0
68.32954	0.6
68.36678	0.7
74.39119	0.6
85.47845	0.6
120.69808	0.6
128.24181	0.7
130.08783	4.9
136.40930	0.7
147.97208	0.7
199.18163	0.9
210.11406	0.7
529.49603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69090	0.7
82.02982	1.1
97.02964	1.2
100.04070	1.5
107.05032	6.5
112.04044	3.5
112.07676	4.7
113.85147	0.8
124.04035	1.0
124.07735	0.9
125.06081	1.3
134.06142	1.1
136.07690	8.9
140.07172	7.6
152.07193	1.3
154.08667	1.4
170.08220	5.5
180.06635	3.2
185.50854	0.8
196.06207	12.4
198.07716	22.3
214.07175	6.0
222.42477	0.8
228.39018	0.8
242.06714	100.0
504.19885	1.0
518.13489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47768	0.2
58.39639	0.2
78.95926	0.2
96.95994	0.3
103.26096	0.2
110.74471	0.3
129.99155	0.2
132.04494	0.9
140.91544	0.2
156.99081	0.2
160.04039	100.0
173.04559	2.7
188.03537	1.5
192.06729	1.3
206.08136	0.4
232.59979	0.3
247.57318	0.2
256.07599	0.4
308.05832	0.5
322.07321	1.2
326.10257	0.3
344.11456	0.4
356.11414	47.4
356.15131	3.4
397.29630	0.3
504.60901	0.2
518.16681	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16018	0.4
58.31783	0.5
63.53565	0.5
67.55566	0.5
76.24568	0.5
124.66318	0.5
127.04629	0.5
130.35678	0.6
153.62567	0.5
162.05608	100.0
164.77722	0.5
205.07138	0.6
270.11386	21.5
285.86377	0.6
356.15009	2.1
391.27612	0.6
414.15472	0.7
432.16409	2.7
438.10629	0.7
474.17725	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14174	0.7
56.83356	0.7
57.71075	0.7
60.83158	0.6
65.15954	0.8
75.40907	0.6
81.29992	0.6
87.51118	0.6
93.03420	0.8
129.22743	0.9
129.94797	0.7
135.42845	0.8
137.02464	0.8
160.04041	100.0
173.04532	6.6
180.06535	0.9
191.05661	0.9
192.06714	3.0
206.08252	1.7
256.07266	1.2
271.09885	0.8
297.10071	1.4
300.12515	1.5
312.12521	6.1
322.07333	1.1
340.11920	19.5
344.11353	1.5
353.76184	0.8
355.14377	6.3
356.11395	52.8
356.15201	11.1
511.57083	0.8
518.16193	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24000	0.3
67.03280	0.3
68.26494	0.3
71.24561	0.3
78.95306	0.3
108.85205	0.3
132.04546	1.6
139.62048	0.3
160.04039	100.0
188.03523	1.5
308.05841	0.6
322.07193	1.8
356.11441	54.7
379.56244	0.3
518.16736	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80897	0.5
58.75774	0.4
72.99306	4.6
118.30833	0.5
119.05018	6.7
129.46611	0.6
135.04520	17.5
163.04015	34.7
181.05070	100.0
260.52417	0.5
322.10748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89260	1.1
72.99307	5.3
74.61928	1.2
99.94382	1.4
119.05026	9.4
135.04550	15.3
154.23788	1.3
163.03999	35.9
179.01135	1.4
181.05089	100.0
278.61615	1.5
358.02020	1.3
518.15887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57467	0.7
52.63232	0.7
58.62817	0.7
59.01374	0.8
78.12875	0.6
84.17850	0.7
85.02923	2.6
87.00858	4.0
93.03443	1.0
101.02433	3.5
108.19090	0.7
117.01916	3.6
127.04048	1.1
147.04480	3.2
155.17290	0.8
164.07162	38.2
179.36681	0.7
191.05629	100.0
216.94730	0.7
220.09787	1.5
236.09238	10.1
278.10327	0.8
326.12497	8.4
394.68945	0.9
518.18970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98833	100.0
74.02000	0.8
75.53326	0.7
107.76294	0.9
111.00871	0.8
127.72910	0.8
141.45868	0.9
149.09167	0.9
177.11937	0.9
249.66248	0.8
305.34521	0.8
367.02084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25078	1.4
59.01385	2.5
61.78702	1.3
62.82155	1.5
72.00532	1.5
75.36464	1.7
89.17794	1.6
92.93263	1.6
95.82186	1.4
100.34340	1.6
103.79555	2.1
137.06136	1.6
139.42068	1.6
149.06082	10.5
150.06389	2.2
160.01649	8.0
161.02388	1.8
165.07953	10.3
175.04008	3.8
176.04814	2.4
180.10274	19.8
190.05022	2.0
204.06596	2.2
227.11183	1.9
253.08760	2.0
255.06598	25.0
267.36118	1.8
268.07413	2.0
269.08124	2.6
283.05914	2.3
284.12994	18.4
299.11618	17.7
314.14130	18.4
324.12433	3.3
326.10181	1.9
341.12793	2.5
356.15073	100.0
379.88107	1.7
499.94858	2.0
518.20874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21564	0.5
51.95293	0.4
55.84477	0.5
61.98832	9.3
69.13754	0.5
71.62914	0.6
78.11947	0.4
78.95900	33.6
94.44402	0.6
96.96957	3.7
107.84029	0.5
150.97974	0.9
152.99585	100.0
171.00620	2.3
269.55222	0.5
277.21701	2.5
431.22116	32.0
443.84061	0.6
518.25275	23.2
518.32819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.3
78.95903	38.3
86.17724	0.6
96.96963	3.3
120.81629	0.5
142.01007	0.5
145.88818	0.5
146.21132	0.5
150.98044	0.8
152.99585	100.0
171.00626	5.8
277.21729	2.8
295.22659	0.8
409.05588	0.5
431.22092	31.0
517.44867	0.6
518.25214	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13070	0.5
55.69259	0.5
58.17517	0.5
61.98829	3.5
78.12878	0.5
78.95900	33.7
78.96362	1.2
91.60439	0.6
96.96949	3.5
133.64317	0.6
143.64536	0.6
150.97995	1.2
152.99585	100.0
162.82155	0.6
171.00626	3.1
277.21753	2.7
431.22098	30.6
456.32834	0.7
518.25250	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03657	0.5
51.43945	0.5
52.64980	0.5
58.50349	0.6
59.85458	0.6
61.98831	100.0
80.45624	0.8
87.89905	0.6
93.20176	0.7
142.20564	0.9
154.32443	0.7
293.21283	1.0
365.70911	0.6
378.62909	0.7
387.03079	0.7
431.54361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68554	0.7
57.16370	0.8
57.19946	0.7
59.64894	0.8
60.60437	0.8
60.87179	0.8
67.71523	0.8
69.36403	0.8
73.65739	0.8
78.95897	10.1
81.01990	0.7
84.17519	0.8
94.10210	0.8
103.83971	0.8
152.99586	28.6
153.46594	0.8
171.00763	0.8
182.02315	1.2
238.04890	1.9
256.49127	0.9
274.42798	1.0
279.23315	100.0
289.84927	0.9
518.28937	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98824	3.9
67.77068	0.7
69.50193	0.7
78.95897	8.2
79.76563	0.7
108.61354	0.8
109.07355	0.8
120.50406	0.9
131.77332	0.7
152.99576	12.0
279.23315	100.0
287.00632	0.8
315.25531	0.9
372.18738	0.8
518.28943	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2892
Annotation	(-)-Terpendole C
Peak:m/z	Relative Intensity
59.01373	4.1
61.98827	3.6
69.17545	0.5
78.95900	9.2
115.46607	0.5
126.47305	0.6
127.55253	0.7
152.99594	24.2
167.26167	0.6
182.02205	1.5
220.87068	0.8
238.04971	4.3
279.23315	100.0
286.20490	0.6
518.28943	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69022	0.5
57.33686	0.4
57.46976	0.4
59.67368	0.4
61.98815	0.8
78.95893	6.0
93.30756	0.6
103.76924	0.5
152.99603	10.4
165.88588	0.5
182.02182	1.0
200.31584	0.5
221.12758	0.6
231.58287	0.6
279.23318	100.0
362.70108	0.6
518.29004	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29583	0.9
61.98834	100.0
75.54411	1.0
92.31802	1.0
103.44710	0.9
164.15076	0.9
211.69977	0.9
482.24078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
71.01376	0.6
73.02944	2.2
73.43607	0.5
82.04504	0.6
89.02425	0.6
99.92580	2.9
116.44297	0.5
116.92856	100.0
117.01897	4.4
134.03760	1.0
152.21924	0.5
164.04692	0.8
175.04022	0.6
183.34052	0.5
190.02753	2.9
193.05063	0.9
205.05057	5.0
223.06206	2.4
240.07756	0.8
241.08676	0.8
254.09468	1.0
267.10226	1.0
279.06805	0.6
519.16290	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37447	0.8
59.73624	0.8
64.89909	1.1
109.84760	1.0
110.01055	0.9
121.02951	97.9
135.04497	4.3
158.48207	1.0
165.01932	100.0
173.04501	10.0
179.03467	8.4
191.05656	5.2
267.10358	1.7
353.08728	9.4
403.18277	1.1
476.42072	1.1
519.15137	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49957	1.5
59.01382	100.0
63.03089	1.6
75.14246	1.9
85.02975	2.4
88.72155	1.7
93.03442	7.3
103.00366	44.6
103.04012	4.0
103.17139	1.9
113.02428	2.0
115.92086	4.0
116.92838	3.8
130.08772	3.8
133.05066	52.0
137.02446	31.1
175.06088	9.7
185.37978	1.9
191.05635	3.6
204.49399	2.5
288.22333	2.3
299.07806	3.8
519.15094	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1514
Annotation	Loniphenyruviridoside D
Peak:m/z	Relative Intensity
59.01376	5.1
71.01393	3.9
85.02972	1.5
87.00867	2.2
89.02471	1.5
92.23109	1.2
101.02454	2.1
113.02454	1.7
115.03976	1.0
116.97858	0.9
146.56859	0.9
147.04503	2.3
150.05582	1.3
151.05931	1.3
237.05664	1.4
255.06573	1.0
265.05106	4.0
271.06088	1.7
279.99844	1.0
281.04626	1.2
282.05310	1.7
283.06183	35.3
284.07211	1.3
286.08371	1.9
296.06992	3.0
297.07764	8.3
298.08490	29.3
299.09296	4.3
311.09290	6.8
312.10004	3.8
313.10861	20.0
324.06528	1.1
339.08786	1.6
357.09973	1.4
399.10941	1.4
504.12756	4.3
519.15131	100.0
536.19324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63483	0.2
53.65892	0.2
54.26592	0.2
55.01866	0.2
59.01384	3.2
69.03435	0.2
71.01376	0.8
73.02969	0.2
77.28768	0.2
78.95981	0.2
85.02951	2.1
89.02438	1.1
93.03422	0.3
101.02447	0.2
113.02444	100.0
114.02785	0.8
115.04002	0.3
119.03482	0.2
119.05033	0.3
137.46375	0.2
145.02960	2.8
151.04008	0.3
163.04041	0.5
173.04570	0.9
189.05621	0.9
191.05608	2.2
197.09724	1.2
245.02580	0.2
301.10883	0.4
306.02448	0.2
307.08200	1.8
421.11453	2.4
448.71280	0.2
519.15051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98349	1.2
57.89865	1.3
59.01384	11.0
71.01383	8.3
73.02941	1.7
76.82156	1.4
84.27663	1.3
85.02925	2.7
87.00938	1.8
89.02467	3.0
92.23038	1.6
101.02481	2.5
107.05021	19.2
113.02453	9.6
115.03979	2.3
120.54076	1.6
135.04546	1.8
135.88551	1.6
146.92883	1.9
149.02441	8.1
150.03188	2.0
151.03995	8.4
161.04564	2.1
163.96317	1.7
164.04778	18.8
165.05635	2.5
175.00363	9.7
176.01163	8.5
179.07152	2.9
181.48766	1.5
190.02728	100.0
191.03577	12.3
191.05223	1.4
205.05072	97.6
207.03096	1.7
209.04498	3.9
223.06183	12.1
256.07455	15.0
263.11472	13.4
271.09796	23.4
313.10880	8.8
353.08829	2.2
367.10333	18.0
429.67877	1.8
475.16113	67.4
487.12393	3.0
509.04800	1.9
519.15161	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57733	1.5
55.01890	16.4
71.01389	5.1
75.00877	4.1
85.02952	3.2
89.02448	4.4
92.22515	4.5
101.02437	4.8
121.66663	2.1
129.01962	17.2
147.03012	12.4
165.04041	11.9
175.02718	4.4
176.03078	2.9
186.72234	2.1
193.05009	3.6
253.71834	2.0
258.52872	2.0
262.06403	4.1
263.07166	3.3
264.07907	3.7
267.06616	28.8
278.09659	4.3
279.06653	26.5
281.42535	1.9
282.08975	31.1
293.07947	2.5
294.05380	13.5
294.09018	17.5
295.06314	4.6
297.11325	8.7
307.05960	3.0
308.06866	3.3
309.07681	18.9
310.08408	9.1
311.05481	3.3
322.08405	14.7
323.05698	44.8
326.08044	23.8
338.08029	49.9
341.10312	62.4
353.10336	100.0
357.12817	2.5
371.11395	10.8
371.57654	2.1
496.50977	2.5
519.15161	87.0
519.31573	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71479	1.1
57.78049	1.1
59.01385	8.1
59.90733	1.1
60.31540	1.1
67.58784	1.4
71.01384	18.3
75.12160	1.2
77.29268	1.2
85.02980	1.2
90.72655	1.2
95.87094	1.2
101.02348	1.3
115.00346	2.5
115.04001	6.1
136.36391	1.3
136.94745	1.2
153.70511	1.2
166.05807	1.2
171.10289	2.4
225.05501	3.2
237.05484	2.5
238.06424	1.8
253.05124	10.2
253.08675	8.3
254.05875	11.3
278.05899	1.9
282.05365	63.1
297.07715	100.0
318.81653	1.6
329.23410	16.0
347.67880	1.6
403.26865	1.9
459.13058	47.2
489.10141	1.7
519.28278	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45658	0.3
59.01382	8.7
59.16687	0.3
59.58767	0.3
71.01385	1.7
74.08217	0.4
85.02954	2.2
88.38781	0.4
88.54256	0.3
89.02451	1.7
101.02449	1.8
111.04502	0.4
113.02447	100.0
119.04995	0.6
130.44093	0.4
145.02933	0.8
163.04005	0.5
173.04527	0.6
178.02750	1.6
179.05559	0.4
191.05688	1.4
193.05020	1.0
205.05084	0.8
205.09654	0.4
275.56985	0.4
459.25992	0.7
519.15186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28586	2.9
54.10077	3.0
58.34813	2.7
59.01382	17.8
59.54198	2.7
62.19850	2.9
62.65656	2.9
65.96947	3.0
71.01368	7.8
82.11997	3.8
89.02448	67.0
101.02454	13.6
112.39913	3.8
113.02442	5.5
123.89178	3.3
149.02428	20.0
151.06169	4.8
164.04787	70.3
173.04581	5.7
174.44545	3.9
179.07123	6.5
190.02727	79.3
205.05075	100.0
223.06146	99.2
312.67435	3.9
328.86707	4.4
457.17212	3.6
479.46863	4.0
506.00864	3.9
519.17194	97.7
519.24158	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47147	0.5
56.89034	0.5
59.01374	5.6
59.10186	0.4
60.38688	0.4
63.72585	0.5
65.48641	0.4
66.07339	0.5
71.01374	4.2
73.38669	0.5
87.00884	0.5
89.02444	5.3
101.02443	3.6
104.41697	0.5
113.02424	1.1
115.54995	0.6
119.03472	2.2
124.01128	0.5
147.04549	1.0
149.02431	4.6
151.06085	3.6
164.04794	23.0
175.00371	2.3
176.64897	0.6
179.07158	3.7
190.02736	35.4
191.03404	1.0
205.05075	64.4
206.05920	2.9
208.03835	1.1
209.04471	0.9
221.08244	6.3
223.06123	24.5
223.08290	1.0
237.07756	2.1
241.08807	1.0
265.07175	11.3
295.08221	0.7
316.36667	0.6
519.17267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.01595	0.8
59.01399	0.7
61.97435	1.0
71.01370	1.1
71.58494	0.9
74.21271	0.9
89.42938	0.9
100.44146	0.8
101.02417	1.2
105.56441	0.8
135.04515	1.8
136.01662	24.4
151.04002	100.0
161.04501	1.5
163.04068	6.9
164.04549	1.0
175.07700	1.2
181.05034	16.7
182.05406	4.9
294.48956	1.0
342.11203	8.2
357.13446	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.99818	0.7
55.88704	0.6
57.03423	0.9
59.01102	1.1
59.01384	28.1
62.78182	0.7
64.00779	0.7
68.98446	0.8
71.01377	11.9
73.02924	1.6
74.23707	0.8
80.08694	0.7
83.01392	2.0
84.30673	0.7
85.02953	7.8
87.00894	0.8
89.02425	7.4
95.01375	1.6
101.02433	12.3
108.25455	0.9
109.02952	1.1
112.21610	0.8
113.02425	6.1
123.04513	1.5
146.03784	1.0
187.58243	0.8
191.05571	3.3
311.09308	1.7
324.10046	4.9
325.10904	0.9
339.12601	2.8
342.07864	1.2
342.11124	33.1
342.15161	1.1
357.13458	31.7
519.18756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67917	1.6
59.01384	100.0
62.38415	1.4
62.50519	1.5
63.08557	1.5
63.74191	1.8
70.30811	1.9
71.01384	50.4
72.99343	2.0
85.02959	7.2
89.02446	65.9
94.98086	35.5
95.01368	3.0
100.44702	2.0
101.02446	24.6
106.63072	1.7
108.81451	2.0
113.02444	19.5
119.03490	22.8
126.38534	2.0
143.03476	3.3
161.04553	4.2
179.05609	20.1
191.05797	2.6
246.80652	1.8
294.08990	7.9
323.04605	1.9
323.08994	3.6
324.09906	2.1
339.12216	13.1
384.85910	2.1
399.24429	2.5
468.32718	1.8
494.71957	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.188
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.74508	0.6
56.82222	0.7
58.90657	0.6
59.01104	1.4
59.01385	31.3
59.95664	0.6
60.63051	0.7
65.15203	0.8
71.01378	5.5
73.02948	1.3
85.02940	1.7
85.57217	0.8
89.02425	1.0
92.23060	1.3
93.03446	5.4
96.95953	0.9
101.02438	2.0
111.04532	1.8
113.02454	3.3
123.04541	1.5
135.50597	0.7
136.01656	24.4
137.02458	1.3
150.03227	5.9
151.04004	100.0
161.04630	2.8
164.04883	1.0
171.10300	1.0
173.04547	23.8
190.02716	2.0
191.03629	2.0
191.05609	5.5
198.21063	0.9
198.50481	0.9
205.05026	4.6
223.06050	0.9
239.03545	2.0
245.12001	0.9
337.04578	0.9
342.11096	6.9
345.09842	1.2
345.22897	1.6
349.40912	0.8
357.13501	72.2
399.23822	6.8
399.35361	0.8
459.26108	8.6
519.14301	9.1
522.38153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1879
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.27326	0.6
59.01379	6.4
65.63648	0.6
66.08806	0.6
71.01371	1.5
73.02933	0.7
85.02975	1.4
89.02448	0.7
95.00456	0.8
108.09704	0.7
109.09733	0.7
113.02460	0.8
122.03714	1.3
124.84965	0.7
136.01663	24.3
151.04007	100.0
161.04543	1.2
173.04544	1.6
174.63600	0.7
190.02675	1.5
191.05629	7.7
197.09731	1.3
205.05070	1.6
237.78557	0.7
248.75323	0.8
342.11194	6.4
357.13483	75.1
364.44086	0.8
410.36203	0.8
519.14856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
53.80705	0.6
54.52086	0.5
55.01890	0.9
59.01379	8.2
59.03248	0.6
67.91044	0.7
71.01390	5.8
72.57654	0.8
73.02932	1.2
77.84554	0.9
80.74003	0.7
81.77189	0.6
83.00885	1.8
83.01385	53.9
85.02940	1.2
86.70076	0.8
87.00887	1.4
89.02457	6.6
92.22530	0.7
101.02451	4.2
113.02472	1.2
121.02956	4.2
122.03728	8.4
123.04514	4.4
125.09710	3.9
136.01643	0.9
136.05289	1.5
137.06088	16.9
147.04533	3.6
149.04544	3.0
151.04024	1.7
161.06055	1.1
162.06923	1.4
187.09737	5.6
188.24638	0.7
206.05959	1.1
209.08163	3.2
221.08263	7.4
298.12070	1.0
313.14511	1.1
342.11093	9.3
357.13474	100.0
364.08282	0.8
459.18735	4.2
519.19171	6.6
519.31647	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
55.01857	0.9
59.01382	6.1
71.01363	1.7
73.32925	0.8
75.00863	1.4
83.01382	45.7
85.02930	1.0
87.00874	0.9
89.02450	4.2
91.73470	0.8
98.68073	0.9
100.93826	0.8
101.02464	3.7
111.00859	4.8
113.02452	1.3
121.02930	3.9
122.03710	8.2
123.04505	4.1
136.05305	1.1
137.06076	13.7
147.03026	1.2
147.04510	1.7
151.03947	1.1
161.06082	1.6
165.04047	4.4
177.02000	7.5
178.02724	1.1
204.78212	1.0
205.04971	1.6
209.08255	4.7
221.08224	7.6
240.83546	0.9
279.06427	1.0
282.09018	3.7
294.08664	1.4
298.12122	1.3
313.14453	1.7
322.08759	1.3
323.05612	4.3
338.07980	3.7
341.10373	4.4
342.11017	10.6
353.10352	4.4
357.13464	100.0
519.14801	14.2
519.24829	2.0
519.31592	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.57824	8.3
65.81731	11.3
70.03007	10.3
70.76154	10.0
76.13494	10.4
100.86825	10.2
105.00877	11.4
133.19365	10.4
151.03993	15.8
168.34761	12.7
191.05646	13.2
205.05042	95.4
292.15875	11.4
327.12497	17.5
357.13422	100.0
360.81165	11.5
519.19067	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69423	1.1
59.01385	22.8
61.24631	1.2
71.01363	7.8
73.02935	27.8
79.91549	1.4
83.49674	1.3
83.67503	1.4
85.65498	1.2
89.02451	10.4
92.22512	2.4
97.02981	1.9
101.02435	7.4
113.02467	3.0
114.50864	1.3
115.03992	17.4
119.03470	2.5
123.08176	15.2
167.07140	73.1
195.06708	1.8
197.11809	3.2
241.10814	18.1
313.26440	1.4
342.74713	1.7
421.17230	8.6
441.03876	1.5
445.16812	1.3
514.97070	1.7
519.20905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75757	1.3
52.19913	1.3
55.01883	2.4
59.01379	60.6
59.22384	1.2
63.24558	1.4
71.01374	33.9
73.02947	9.1
76.83228	1.4
83.01400	3.3
85.02957	14.5
89.02448	2.4
96.54550	1.3
97.02944	11.1
99.00842	2.0
101.02434	28.4
101.06074	10.8
106.20401	1.3
113.02448	14.6
115.04002	29.3
115.66079	1.4
119.03442	1.8
126.44949	1.5
130.86874	1.3
134.03743	6.2
147.04509	1.8
148.05225	1.4
149.06081	2.9
159.03093	2.3
161.04591	18.4
179.12720	1.4
193.05106	1.9
263.11359	100.0
309.07703	7.5
324.10101	2.1
339.12711	1.6
383.07654	3.2
403.13980	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65852	0.6
57.03451	0.8
59.01383	53.5
59.80608	0.7
60.51358	0.7
62.87101	0.7
71.01381	21.5
71.05045	0.8
72.99280	0.8
73.02945	6.7
75.00894	0.9
80.10743	0.8
80.54367	0.7
83.01393	1.8
85.02944	9.4
89.02441	17.6
95.01353	1.3
97.02934	6.5
97.47445	0.7
99.00896	2.7
101.02441	26.1
101.03089	1.4
107.90029	0.7
111.58312	0.7
113.02444	13.9
115.04003	28.2
119.03486	6.4
143.03430	1.0
159.02963	1.2
161.04518	8.2
179.05652	1.4
185.95502	0.7
236.88976	0.9
249.05487	0.8
254.83492	0.9
263.11377	100.0
282.99557	0.8
300.64441	0.8
519.15558	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54513	0.9
58.29823	1.3
59.01382	100.0
69.58956	1.4
71.01376	28.2
73.02940	9.7
79.87527	1.2
81.35975	1.2
83.01381	2.2
85.02937	9.0
87.00871	3.1
89.02436	25.4
95.01393	1.9
99.00878	2.1
101.02431	31.4
109.74507	1.2
110.20745	1.4
113.02438	16.8
115.88726	1.2
119.03483	6.3
129.05612	1.5
132.43567	1.4
144.83965	1.4
161.04593	10.7
168.35065	1.3
179.05658	2.0
223.03897	1.3
263.11377	99.5
299.00153	1.4
421.20557	1.9
446.60394	1.4
493.39719	1.7
519.24481	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21585	1.8
59.01384	100.0
71.01382	20.3
72.40921	2.1
73.02946	10.2
85.02956	13.6
89.02436	2.5
97.02955	3.5
101.02419	18.5
101.06087	10.5
108.02148	2.1
113.02428	12.1
115.04002	18.6
145.08705	10.0
161.04517	17.9
163.04045	2.5
191.05704	2.5
193.05141	4.7
227.72148	2.1
263.11380	68.5
459.25925	3.1
519.14478	7.0
519.27948	3.2
526.20929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.4
63.86876	0.6
78.95911	0.9
88.69466	0.6
91.72867	0.7
97.02937	12.0
115.07638	100.0
131.21753	0.8
152.99573	5.5
161.52292	0.8
203.52585	0.7
203.84485	0.8
256.27469	0.9
288.97394	0.7
343.13782	4.9
344.79837	0.8
361.18790	1.2
414.75220	0.9
459.22513	1.4
519.25842	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68257	1.4
59.01385	26.8
71.01377	25.0
72.99339	1.6
73.02930	11.4
83.01390	3.2
85.02940	12.1
89.02436	6.3
98.38058	1.5
99.00899	2.6
101.02431	32.2
111.00848	11.6
113.02467	11.5
119.03503	1.7
136.01628	1.7
143.03455	2.7
143.60530	1.8
151.03981	10.3
159.02937	3.4
161.04503	19.9
248.14049	1.9
265.55893	1.8
278.61069	1.9
313.16629	17.1
357.13419	7.3
395.80548	1.6
459.22351	100.0
479.97388	1.9
519.24127	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2452
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
51.04700	1.0
55.25760	1.2
56.65397	1.0
59.01384	33.2
69.03545	1.2
71.01380	31.4
73.02945	9.3
80.07314	1.3
83.01394	3.0
85.02946	12.8
87.00871	6.1
88.98807	20.5
89.02439	96.3
95.01373	2.7
97.02940	1.6
99.00880	2.9
100.69102	1.3
101.02435	33.8
113.02437	20.3
119.03499	7.9
120.99667	1.4
125.02389	2.2
131.03429	2.0
143.48894	1.5
144.63666	1.5
149.89906	1.4
151.04050	1.5
156.72118	1.5
161.04610	2.9
176.04817	6.0
191.05519	2.2
191.07114	1.8
225.15059	7.4
236.88429	1.5
276.36743	1.5
327.12448	1.6
357.13535	2.4
387.20273	23.8
519.24597	100.0
519.32263	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36451	1.1
57.49595	1.0
59.01385	97.3
66.11834	1.3
68.75893	1.1
71.01379	8.2
71.89031	1.1
72.99307	2.8
73.02960	1.5
73.81227	1.0
74.29313	1.2
80.71239	1.2
85.02959	1.6
89.02449	3.0
93.15989	1.2
96.96021	1.8
101.02439	9.7
102.75049	1.2
113.02442	5.9
142.58678	1.3
151.04033	2.0
160.53850	1.3
161.04640	1.5
199.13420	2.6
342.92465	1.2
357.13431	1.8
361.18713	100.0
392.19714	1.5
519.19275	4.5
519.25763	3.6
543.77209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2736
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
51.30433	2.3
59.01380	24.2
67.13763	2.2
71.01377	12.5
75.43887	2.4
75.92812	2.4
101.02450	10.5
105.49129	2.6
118.70336	2.6
125.09790	2.9
162.05611	4.5
213.15196	3.1
313.21701	2.7
347.42572	2.4
357.26474	11.3
374.72778	2.7
391.42404	2.6
519.27283	100.0
519.32806	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2734
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
54.08978	0.4
54.63317	0.3
56.63065	0.4
59.03846	0.3
59.59436	0.3
65.70108	0.3
66.91866	0.3
69.32619	0.4
69.66422	0.3
70.42923	0.4
76.66873	0.4
78.46104	0.4
78.95903	44.0
80.46456	0.3
96.96944	4.6
150.98085	0.6
152.99586	100.0
153.99928	2.3
171.00653	2.3
268.12378	0.4
279.19803	0.6
325.08688	0.4
365.27042	1.9
410.70755	0.5
432.22549	2.6
434.50632	0.4
519.27264	47.6
523.47388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42607	0.3
51.60630	0.4
59.66248	0.3
96.96002	41.7
155.51282	0.3
170.18797	0.4
363.16391	0.5
519.27887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45410	0.3
54.59252	0.3
61.44363	0.3
62.96407	0.4
67.48429	0.3
78.95898	1.6
96.96004	44.2
112.92772	0.3
148.68854	0.4
203.54478	0.3
230.66573	0.4
363.16544	0.5
375.58682	0.4
519.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2792
Annotation	Sedumoside G
Peak:m/z	Relative Intensity
52.74488	0.3
53.03341	0.3
59.01370	0.6
78.95891	0.6
79.95716	0.6
85.02966	0.4
91.74290	0.4
96.96008	42.8
104.63682	0.4
144.65007	0.5
151.81680	0.5
152.99583	0.7
226.90439	0.4
341.63440	0.4
371.11563	0.5
519.27936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64473	0.3
60.70354	0.2
66.13396	0.3
73.61171	0.3
86.79040	0.3
95.69151	0.3
96.96004	46.0
109.40965	0.4
123.76630	0.3
130.83638	0.3
363.16461	0.4
504.25116	0.4
519.27893	100.0
540.67059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00933	0.3
59.01381	1.6
71.01367	0.7
84.06989	0.4
85.06584	14.1
89.02448	1.5
90.20029	0.4
91.58382	0.4
101.02441	0.7
113.02464	0.4
131.07135	100.0
145.02934	0.5
174.93123	0.4
357.09589	0.7
519.15759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12105	1.4
59.01380	2.3
67.48054	1.6
71.01378	100.0
72.99310	11.8
72.99636	1.5
87.00903	1.6
91.04012	2.2
115.00332	17.8
122.99459	1.6
139.11319	3.2
171.10246	8.5
211.13367	8.0
229.14514	2.5
311.22360	7.8
328.80780	1.8
329.23376	55.8
357.13199	2.1
397.74939	1.8
403.26978	10.9
404.63431	1.8
407.22269	2.1
468.31052	1.8
501.27124	3.6
519.28076	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88048	0.8
53.62206	0.8
55.93774	0.9
59.01382	100.0
62.32263	0.8
63.68653	0.8
64.76888	0.8
71.01376	5.9
72.99356	0.9
73.02953	1.2
85.02943	4.2
87.04482	1.3
87.53616	0.8
89.02438	1.2
101.02432	4.0
107.02795	1.4
113.02449	4.5
120.24409	0.9
136.01656	15.3
151.04007	58.1
161.04575	1.3
173.04576	3.9
174.38310	1.0
175.07651	1.2
191.05585	3.9
294.48694	1.1
326.58624	1.2
342.11014	5.1
345.22504	1.0
357.13437	51.1
399.23911	29.8
417.24930	3.9
445.16858	1.0
459.26038	35.1
519.18872	1.3
519.27295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60202	0.9
55.74525	1.0
59.01381	100.0
61.60468	1.1
71.01371	11.3
72.99282	1.5
73.02963	2.1
84.33974	1.1
84.48982	1.1
85.02937	3.0
87.00906	2.0
89.02435	6.5
92.23085	1.6
94.98103	2.2
96.96020	1.5
101.02453	9.9
110.39421	1.2
111.00893	1.9
113.02457	7.5
119.24758	1.5
127.04010	2.5
132.39424	1.3
155.03578	1.2
171.17279	1.3
191.05579	8.5
199.35553	1.5
218.21342	1.1
283.06055	1.6
324.10422	1.3
357.13278	2.2
399.23962	16.0
417.24936	1.9
459.26004	33.7
519.18103	2.6
519.24927	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2818
Annotation	Sedumoside G
Peak:m/z	Relative Intensity
54.38232	0.7
55.01876	1.6
57.03444	2.9
59.01383	31.0
63.84260	0.6
71.01379	34.8
73.02944	20.8
83.01389	12.5
85.02946	21.9
87.00893	1.1
89.02442	7.9
94.84427	0.6
94.98987	0.7
95.01361	3.6
96.28593	0.8
97.02929	1.4
99.00861	5.8
101.02441	41.8
103.03999	0.9
112.47553	0.6
113.02443	18.7
115.03974	0.9
117.11274	0.8
119.03475	1.2
123.57521	0.6
125.02438	3.2
129.01949	0.8
143.03500	1.4
159.03000	3.4
161.04558	9.5
163.06059	1.4
173.04518	1.3
373.22342	33.3
519.28168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01373	4.1
73.02949	4.2
77.92204	0.8
83.71500	0.7
89.02425	3.5
94.98109	0.9
101.02434	3.9
113.02464	1.8
119.03486	1.0
152.99606	1.1
154.66841	0.8
201.73123	0.9
241.82480	0.8
519.23865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3096
Annotation	Ochrocarpinone B
Peak:m/z	Relative Intensity
54.01212	0.5
56.59647	0.5
57.94497	0.5
63.82472	0.5
78.95900	7.3
94.06136	0.5
99.98277	0.6
102.05595	1.3
117.90029	0.6
128.03545	4.3
130.08696	1.4
139.58830	0.6
146.04585	1.0
152.99588	10.2
163.01686	10.7
171.14919	2.4
181.02617	1.1
207.10132	0.6
225.11279	0.8
237.05226	2.6
281.24878	100.0
404.92096	0.6
519.30707	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3179
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
59.01388	9.6
63.77965	0.9
71.01377	7.4
72.99306	3.4
75.00871	10.2
78.61095	0.7
78.95908	3.4
84.18428	0.8
85.02943	10.8
87.00865	3.7
89.02463	1.7
92.22540	0.9
95.01372	2.1
99.00854	3.5
106.55515	1.0
112.20965	0.9
113.02443	11.9
117.01917	1.2
152.99615	7.6
154.15775	0.9
156.71147	0.8
249.06256	6.2
269.24881	81.8
308.61044	0.8
437.26953	1.7
519.31824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3179
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
52.72995	1.7
54.95398	1.4
59.01383	56.8
67.92104	1.7
69.10349	1.9
70.03884	1.6
70.67807	1.6
71.01379	26.2
73.02924	2.1
85.02932	7.4
89.02409	1.8
92.23209	1.9
101.02447	14.7
113.02425	8.1
115.99660	2.0
123.32112	1.9
151.72177	1.7
189.25955	1.7
199.76909	2.2
221.45821	1.7
263.95859	1.9
297.07504	2.2
329.23355	11.7
408.27206	2.1
415.27722	2.0
476.84137	1.9
519.32404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3331
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
55.73999	2.0
57.02163	2.1
59.01381	3.5
61.98836	3.7
66.39480	1.9
67.02448	2.0
77.59068	2.5
78.95889	3.9
92.22508	4.3
98.84762	2.2
99.00858	16.2
99.25809	2.3
128.03542	4.2
130.08727	8.6
144.42780	2.3
163.11397	2.8
171.18456	2.5
181.12344	18.6
197.12985	5.0
198.74187	2.3
199.13425	11.2
207.10289	40.1
225.11337	77.5
243.12355	39.2
244.04562	2.9
281.24890	54.4
293.21365	3.7
301.62677	2.6
347.99771	2.7
519.33063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44405	1.5
59.01378	1.6
61.98833	1.6
62.15441	1.2
64.70646	1.5
71.37000	1.3
71.59032	1.7
78.95907	8.0
80.34991	1.3
99.00880	21.1
103.85468	1.5
125.09699	3.0
152.99586	9.0
163.01654	7.0
163.11296	3.1
173.71504	1.9
181.12349	22.1
199.13443	11.5
201.17873	1.5
207.10268	45.4
225.11327	91.0
243.12370	100.0
281.24887	52.1
312.84305	1.6
449.35675	1.6
513.75110	1.8
519.31976	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88039	0.3
59.01378	2.3
63.59036	0.3
69.11211	0.3
69.92877	0.3
71.01380	2.1
73.02937	0.5
74.12847	0.3
78.95931	0.4
79.36985	0.3
89.02419	1.8
92.23099	0.5
93.82307	0.3
94.77920	0.3
101.02450	3.2
102.86105	0.3
112.55637	0.3
113.02448	1.8
117.16067	0.3
119.03513	1.4
152.99580	0.6
159.35056	0.3
161.04506	0.7
233.78508	0.4
235.08234	1.4
247.82501	0.3
248.74142	0.3
253.09299	9.6
283.26453	100.0
392.95844	0.4
497.24396	0.3
519.35461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1982
Annotation	C-3'-Hydroxyrocaglamide
Peak:m/z	Relative Intensity
55.67446	1.2
57.54873	1.3
59.10093	1.3
67.60231	1.3
70.26126	1.4
70.45551	1.4
73.88387	1.2
120.30903	1.6
158.69264	1.5
191.17958	1.6
192.06592	2.2
204.06612	1.9
236.18330	1.7
297.07437	2.1
306.08990	3.3
312.12665	6.3
326.11633	7.8
327.12381	2.6
348.89355	2.0
353.09256	2.4
354.13516	1.9
368.11407	1.8
401.12262	1.6
416.15024	2.1
426.13309	1.8
429.12512	3.1
440.11313	2.9
441.12250	3.8
442.12939	3.7
444.14551	5.7
445.11826	10.9
454.12891	5.9
455.13943	2.7
456.14395	14.7
457.11743	3.6
460.14078	28.9
470.16364	3.3
472.14063	47.2
475.16406	6.3
487.15945	6.4
490.18866	37.0
502.18741	100.0
520.19806	6.0
520.27008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03118	0.6
59.01381	3.9
88.14738	0.6
98.74245	0.7
101.02473	0.8
101.41045	0.7
106.04243	30.5
107.05022	7.0
108.02155	2.8
130.27303	0.8
163.79625	0.7
166.00174	0.9
175.06403	4.4
176.51962	0.7
190.08748	4.8
232.43314	0.7
283.11963	1.0
298.14514	100.0
358.92807	0.8
460.19971	3.2
516.25360	0.9
520.17175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
74.43916	0.5
78.95902	36.5
96.96947	3.3
116.56712	0.6
152.99582	100.0
171.00584	3.0
258.34116	0.7
279.23291	2.7
433.23663	27.2
520.26892	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50621	0.4
59.73978	0.4
61.98835	2.9
68.86356	0.4
72.44921	0.5
77.32961	0.4
78.95900	35.7
92.22514	0.7
96.96946	3.1
117.83652	0.5
149.01547	0.4
150.98039	0.8
152.99580	100.0
155.84888	0.5
171.00648	3.0
187.62611	0.5
206.60933	0.6
213.48746	0.5
220.91631	0.5
250.79706	0.5
279.23251	4.3
347.12326	0.7
426.63666	0.5
433.19006	0.5
433.23590	27.2
520.26843	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61573	0.4
57.50129	0.4
58.67322	0.4
61.98832	1.0
66.75014	0.4
73.90399	0.4
78.95901	20.4
81.66628	0.4
86.98576	0.5
96.96951	4.1
103.65314	0.4
150.97974	0.7
152.99588	100.0
160.75455	0.5
171.00650	4.4
204.26598	0.6
279.23349	2.5
284.39499	0.5
347.88641	0.5
433.23654	17.5
520.26880	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67644	0.2
59.82232	0.2
61.22848	0.2
61.98834	1.0
65.34315	0.2
66.87656	0.2
69.97178	0.2
78.95900	19.9
96.96954	3.4
99.60963	0.2
150.98059	1.2
152.99588	100.0
168.79417	0.2
171.00658	3.6
230.18373	0.2
231.03241	0.3
279.23297	1.7
386.22488	0.3
433.23679	18.7
520.26874	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28041	0.5
51.45481	0.5
51.78224	0.5
52.50069	0.5
58.42599	0.5
59.01351	0.6
60.24213	0.5
61.98831	3.6
73.45579	0.6
78.95904	40.0
85.80469	0.5
87.20165	0.6
96.96960	4.0
100.33810	0.7
130.43993	0.6
150.97974	1.1
152.99583	100.0
154.96507	0.6
171.00682	5.1
250.14996	0.5
279.23300	3.4
331.90225	0.6
356.52667	0.6
433.23660	30.9
520.26849	28.6
520.34515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63983	0.4
66.23455	0.4
76.88596	0.4
78.95901	36.7
89.78480	0.4
96.96951	2.8
110.84017	0.5
123.61132	0.4
150.98009	0.8
152.99585	100.0
171.00616	2.6
246.35068	0.5
279.23361	3.8
428.79443	0.5
433.23630	28.5
478.69574	0.5
520.26874	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33007	0.4
54.63621	0.4
55.95839	0.4
59.85654	0.4
63.30235	0.4
63.44622	0.4
78.95899	36.0
96.96950	2.8
116.33116	0.4
131.15887	0.5
134.36710	0.5
137.42403	0.5
150.98061	0.5
152.99580	100.0
156.07045	0.5
166.87843	0.5
168.07928	0.5
171.00630	3.8
204.95093	0.5
256.39755	0.5
279.23349	2.4
285.39316	0.5
433.23633	29.6
433.29507	1.2
520.26862	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66044	1.0
61.98824	2.7
68.84403	1.0
70.04057	1.1
71.23699	1.0
73.76764	1.1
78.95900	39.3
96.96944	2.3
100.18527	1.1
120.65530	1.0
152.99583	100.0
171.00650	2.3
279.23376	2.1
287.61441	1.1
433.23669	28.0
520.26636	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06540	2.1
59.01389	54.3
61.98831	17.2
70.81818	2.5
71.01377	25.9
78.95908	10.4
82.14973	2.4
85.02936	4.1
89.02441	30.9
92.85775	2.6
95.01337	2.5
101.02439	17.2
113.02418	6.3
119.03459	4.5
119.32567	3.1
152.99586	12.2
197.87904	2.7
198.34366	2.5
225.22256	29.4
253.21732	13.8
296.25958	26.3
340.25082	34.2
459.27322	3.1
520.31543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
71.01382	4.7
74.69012	1.1
81.03460	5.2
83.05016	2.3
85.02959	1.7
93.03430	2.7
97.25282	1.2
101.02435	2.7
109.02934	4.8
111.04513	51.6
111.05277	2.4
116.97570	1.5
117.41077	1.3
127.04008	100.0
137.02435	8.2
145.03011	1.4
155.03499	65.7
164.04742	9.5
179.07161	7.5
199.02490	74.8
223.06136	2.6
238.92657	1.2
265.13007	1.3
281.08167	5.0
290.17102	1.3
314.11508	2.8
315.12534	1.6
321.09882	5.3
326.11526	1.8
327.12424	1.4
329.14087	1.8
341.13892	1.9
355.11768	2.7
476.16919	4.9
488.17004	1.7
491.19281	27.5
503.19275	29.6
519.10394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80153	2.1
56.77430	1.8
69.91473	1.9
71.01385	4.3
73.79956	2.0
108.02162	16.1
109.02936	40.7
113.02361	2.8
123.04525	38.4
132.06792	2.3
152.01151	58.1
153.01936	56.3
153.05577	47.9
164.04782	12.1
176.01161	8.2
190.02747	36.7
191.03526	19.0
193.05165	4.5
194.02187	2.5
205.05083	67.4
223.06146	15.1
315.07120	16.0
365.12726	2.5
367.10294	36.4
382.25970	2.3
412.98413	2.3
521.12262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80153	2.1
56.77430	1.8
69.91473	1.9
71.01385	4.3
73.79956	2.0
108.02162	16.1
109.02936	40.7
113.02361	2.8
123.04525	38.4
132.06792	2.3
152.01151	58.1
153.01936	56.3
153.05577	47.9
164.04782	12.1
176.01161	8.2
190.02747	36.7
191.03526	19.0
193.05165	4.5
194.02187	2.5
205.05083	67.4
223.06146	15.1
315.07120	16.0
365.12726	2.5
367.10294	36.4
382.25970	2.3
412.98413	2.3
521.12262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15207	1.5
59.01382	22.9
69.16523	1.9
71.01388	19.8
73.02951	2.4
81.46976	1.8
83.01409	2.3
85.02965	3.1
86.45199	1.8
87.00870	4.2
89.02431	25.6
101.02454	12.6
105.01964	3.2
113.02412	2.8
115.04008	4.3
131.03477	4.5
141.06319	2.2
145.02939	3.4
147.03258	36.0
148.04063	8.2
149.04533	9.5
163.03999	2.5
187.15318	1.8
189.05682	2.3
191.02281	4.7
191.05663	4.5
193.05023	4.4
229.05048	16.7
241.09924	2.4
242.06874	2.7
243.07750	54.4
243.11400	3.1
255.07716	16.2
269.06046	1.8
269.09378	10.5
271.10901	18.5
287.06738	4.1
297.08905	16.6
315.09793	10.4
329.14078	3.9
353.40070	2.2
359.08881	100.0
389.12277	3.5
461.20328	29.1
521.14630	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
63.16353	0.9
63.78342	0.9
64.89172	1.0
71.01378	2.3
75.67177	0.9
85.02948	1.7
87.00867	1.1
89.02406	1.5
92.22528	2.2
99.04470	1.7
101.02457	1.2
105.01920	5.5
113.02409	2.1
117.03476	1.4
119.05030	5.3
145.02960	23.9
147.04460	1.4
149.02422	4.6
160.05295	1.3
161.02419	1.6
161.06049	5.1
162.03294	7.3
163.03966	12.8
164.04781	15.2
175.07643	5.2
177.05521	2.4
178.06430	3.9
179.07086	2.0
190.02722	36.6
192.07872	1.3
205.05067	100.0
208.03777	1.2
223.06102	19.1
265.07156	4.5
315.12524	1.6
329.14075	15.1
347.24966	1.2
347.29620	1.2
351.73871	1.1
359.14954	2.2
401.29102	1.2
455.11966	1.3
485.16696	88.7
503.15677	10.8
521.16882	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19398	0.9
55.97424	0.9
57.43259	0.8
59.01376	1.5
63.53562	0.9
72.99303	58.5
75.00861	5.5
78.69629	1.1
96.96965	1.3
123.04517	13.7
135.04520	20.6
141.19553	1.0
151.04039	1.2
153.40735	1.2
161.04532	2.7
179.00293	1.3
179.03500	58.8
179.05609	33.9
191.05571	2.0
197.04565	86.3
227.14043	1.3
287.20850	1.4
408.75214	1.4
521.15167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22794	0.7
71.43866	0.7
72.99304	48.4
73.90845	0.8
74.66266	0.7
75.54144	0.8
98.93542	0.8
99.00900	1.2
123.04515	12.5
135.04532	14.9
151.03993	0.9
153.05621	0.8
179.01920	1.8
179.03508	55.1
179.05766	1.8
197.04570	71.3
224.14032	0.8
227.28738	0.7
295.31219	0.9
521.15198	100.0
536.39087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99953	0.6
53.38711	0.7
56.76188	0.7
60.29930	0.5
67.88182	0.7
71.01388	0.8
72.99304	67.0
89.02377	1.1
92.22549	0.8
99.00869	3.8
119.55774	0.7
123.04522	14.7
135.04530	24.2
161.00967	1.5
179.03508	68.9
197.04570	92.7
201.89613	0.8
212.28116	0.8
222.37471	0.7
283.08356	0.9
350.61447	0.8
380.51608	0.9
517.73889	0.7
521.15198	100.0
542.23865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15928	1.5
52.76020	1.1
56.49999	1.5
59.01385	5.9
59.57123	1.3
62.06109	1.2
62.58128	1.2
71.01379	3.4
85.02924	2.1
87.00859	3.0
89.02441	1.8
101.02417	1.5
113.02414	2.5
117.03452	8.2
119.05007	21.1
133.06563	2.9
145.02953	100.0
147.04556	2.2
160.05336	2.7
161.02431	7.1
161.06116	18.1
162.03229	30.4
163.04027	39.6
173.06152	1.6
175.07646	9.4
177.05644	11.0
178.06345	6.1
192.07991	3.4
205.05080	22.8
217.08661	1.6
235.06119	5.8
265.07224	16.7
279.61789	1.7
305.27969	1.5
325.09283	2.4
329.14029	26.8
359.14999	3.2
503.15732	49.8
503.22260	1.8
521.16626	37.9
521.23792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Albidoside
Peak:m/z	Relative Intensity
50.78167	1.5
59.01390	19.4
59.09581	1.5
69.65382	1.5
71.01379	4.1
83.01338	2.1
83.76233	1.6
85.02900	1.5
87.00842	2.6
89.02434	3.6
101.02421	6.9
109.94413	2.4
110.05773	1.8
117.03435	7.7
119.05022	24.8
133.05055	1.9
137.97267	1.7
145.02962	100.0
147.04575	2.9
149.02402	1.8
150.03212	2.5
161.02452	11.6
161.06038	21.5
162.03239	33.7
163.04004	39.3
164.04736	8.7
165.05551	10.1
177.05626	9.5
185.08109	2.1
190.02705	14.5
195.06569	2.6
202.87355	2.1
205.05052	63.2
223.06125	11.8
233.56448	2.2
235.06126	6.7
265.07306	18.4
325.09348	3.9
329.13922	2.6
334.08514	2.1
417.17499	2.4
427.89294	1.9
463.25772	2.3
485.16705	42.4
488.60779	2.2
503.15622	66.7
507.54529	2.2
521.16541	43.2
521.22614	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70067	0.6
55.84581	0.7
57.94115	0.6
59.01386	10.0
65.41483	0.6
67.64874	0.6
71.01381	5.0
73.56133	0.7
82.40300	0.7
89.02437	6.4
89.42449	0.7
97.40320	0.7
101.02431	4.8
101.44279	0.7
109.23480	0.8
111.91482	0.8
113.02453	1.7
119.03487	1.3
135.04521	11.4
145.27544	0.9
148.54822	0.9
149.02345	1.2
150.03189	5.1
164.04785	7.0
175.00426	1.9
176.01161	16.0
178.06287	1.0
189.11450	1.4
190.02734	43.1
191.03526	29.6
191.05092	1.0
194.02258	1.0
205.05067	56.4
206.05847	1.0
207.06618	1.1
208.03661	1.5
209.04559	4.1
221.08119	1.4
223.06206	5.8
237.07852	1.2
265.07248	1.9
297.06201	1.2
315.10938	3.2
329.14139	5.7
521.16718	100.0
528.66382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.167
Annotation	Albidoside
Peak:m/z	Relative Intensity
50.07339	0.7
54.13652	0.6
57.03450	1.9
59.01392	1.6
59.96184	0.7
62.62208	0.6
75.04210	0.7
85.02946	62.4
87.00935	1.0
89.02426	0.9
117.03436	1.2
119.05016	49.1
133.06599	1.5
145.02948	17.7
145.17062	0.8
161.02435	1.3
161.06039	2.9
162.03220	3.5
163.04010	33.8
177.05531	1.0
205.05057	4.0
217.08710	100.0
261.07718	27.5
265.07111	3.9
344.12607	1.0
423.13043	5.8
503.15842	7.6
521.15656	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23141	0.4
59.01380	3.0
66.89296	0.5
71.50556	0.6
72.99306	10.4
73.02944	0.6
75.00869	14.8
75.08321	0.5
75.40210	0.5
85.02936	0.7
87.00858	1.2
89.02458	3.6
96.96929	1.2
99.00888	1.1
123.04510	2.9
131.03490	1.1
135.04521	4.2
138.58118	0.6
143.03490	4.2
151.04036	0.6
161.04538	8.9
179.03534	11.9
179.05618	100.0
185.73260	0.5
191.05637	0.8
196.32259	0.6
197.04568	17.6
287.02716	2.3
327.71417	0.5
340.25040	0.6
341.10999	0.7
347.04626	1.0
521.15149	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39833	0.6
52.61797	0.5
54.79180	0.6
59.01376	3.6
69.36506	0.7
71.01376	0.9
72.99294	3.0
75.00864	11.2
80.96513	1.3
85.02946	2.8
89.02415	2.7
96.96977	0.9
99.00871	1.1
105.01931	4.1
111.04529	0.7
131.03484	1.4
131.04628	1.2
143.03479	2.6
161.04549	12.4
163.83891	0.7
179.05624	100.0
191.05630	30.3
191.07375	1.2
197.04622	1.5
264.31586	0.8
425.94958	0.8
521.15247	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.05374	1.2
59.01385	100.0
66.60714	1.3
71.01382	55.1
73.02937	1.4
75.00880	1.6
79.67976	1.1
85.02948	8.4
89.02442	69.2
92.22414	1.4
101.02450	25.2
113.02449	24.0
115.03986	2.9
115.57340	1.2
119.03503	25.1
129.09242	2.9
130.03078	1.4
139.11278	1.8
143.03473	5.7
159.04431	1.3
160.05296	3.1
161.04550	8.4
172.05357	1.3
173.06058	2.4
175.07654	2.1
178.06282	2.1
179.05612	24.4
190.06343	11.0
191.03424	1.4
201.11349	28.8
205.08783	5.4
296.10522	9.4
311.12988	5.6
329.14035	4.9
341.14044	17.3
359.00989	1.5
359.15253	1.7
363.16611	29.6
521.20361	35.8
521.27191	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
57.77257	0.6
59.01388	0.9
71.01377	1.4
75.36824	0.6
79.53720	0.6
81.23891	0.6
85.02901	0.6
109.02941	8.3
119.03421	0.7
123.04478	0.8
140.65074	0.8
159.04539	5.8
173.06081	3.2
189.05598	4.6
191.07095	1.4
203.07173	2.6
218.84169	0.6
241.05081	4.1
255.06570	3.0
273.43274	0.8
291.34094	0.7
299.09326	1.4
310.59979	0.7
313.10788	12.0
313.13715	0.9
329.10391	5.8
343.11810	3.3
344.12686	66.4
349.15115	0.7
359.15051	100.0
521.20367	18.9
526.40961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
59.01384	2.8
63.11454	0.6
66.70040	0.8
71.01384	2.8
85.02946	1.2
89.02460	1.2
90.89642	0.7
101.02444	1.1
113.02451	1.2
115.43629	0.8
123.04521	1.1
129.01888	1.0
131.65709	0.7
149.02461	1.4
150.03236	3.9
153.05650	0.9
159.04489	2.9
160.05292	13.6
161.06100	0.8
163.03972	1.7
164.04765	4.6
172.57037	0.8
173.05930	1.4
174.15916	0.6
175.07657	35.4
177.05598	4.9
178.06363	19.2
192.07985	11.7
193.08725	4.5
205.05055	1.5
314.11829	1.2
321.38794	0.7
326.11639	1.1
329.13983	100.0
334.25082	0.8
341.13910	1.3
359.11029	1.4
359.15115	20.1
521.15912	1.2
521.20892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
71.01374	0.9
73.02956	0.4
76.79785	0.5
80.41746	0.5
83.88554	0.5
85.02933	0.6
85.78477	0.6
94.04657	0.5
101.02361	0.5
122.03757	0.5
123.04541	0.6
136.05289	1.2
137.06027	0.6
143.05118	0.7
149.02402	1.0
150.03133	3.8
159.04488	3.6
160.05287	15.1
161.04526	1.1
161.06007	1.2
163.03987	2.7
164.04788	5.0
173.06059	2.2
174.06827	0.8
175.07640	34.4
177.05568	5.9
178.06346	20.0
190.71979	0.5
192.07916	13.6
193.08722	4.5
199.62442	0.6
219.57066	0.5
278.38730	0.5
314.11661	1.9
329.13962	100.0
354.79712	0.6
359.15021	17.9
521.20453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40445	0.5
68.27862	0.6
71.01394	0.8
85.03003	0.6
101.02431	0.7
121.02995	0.9
136.05354	1.5
149.02348	0.7
150.03200	4.2
159.04480	1.5
160.05292	16.8
161.04582	1.1
161.06075	2.7
163.04008	1.1
164.04779	4.8
170.29774	0.6
174.06839	0.8
175.07639	36.2
177.05537	4.4
178.06351	22.2
192.07942	14.2
193.08716	4.0
223.05891	0.7
241.80257	0.6
279.79538	0.7
314.11755	1.0
329.13968	100.0
343.39624	0.7
359.15045	19.5
393.24045	0.7
521.20441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2039
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
58.98596	1.5
59.01384	22.2
63.91283	1.6
71.01396	13.0
72.99311	7.3
73.02962	3.3
76.83550	1.5
85.02946	6.9
87.00866	4.0
89.02426	6.6
92.22596	2.2
99.00871	3.0
101.02454	15.1
102.67369	1.7
113.02424	7.7
118.13418	1.9
135.04492	2.8
150.22487	1.8
179.03534	7.7
197.04561	2.6
246.44011	2.0
270.08887	3.3
281.08228	15.1
282.08893	8.5
283.09735	7.0
290.07104	2.0
293.08267	6.7
295.09787	7.4
296.10413	2.9
314.11630	17.2
315.12439	8.4
322.36505	2.2
326.11633	20.1
327.09137	2.2
327.12238	14.8
329.13953	23.0
341.14087	3.9
343.11884	10.4
355.11908	9.1
461.14209	3.2
473.14508	9.5
475.24161	2.4
476.16690	22.4
488.17075	7.5
491.19345	98.6
503.19315	100.0
521.20660	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
51.07666	0.6
52.04551	0.6
53.41998	0.5
55.50752	0.5
61.63802	0.6
70.73727	0.6
71.01381	1.1
75.17515	0.7
78.90183	0.7
89.14436	0.7
92.22899	1.3
122.03733	1.4
123.04514	0.9
136.05281	3.3
149.02412	0.7
150.03168	2.8
152.62767	0.7
159.04495	3.6
160.05270	15.7
161.06024	1.3
163.04060	1.1
164.04800	3.5
173.06033	1.6
174.06909	1.4
175.07642	30.7
177.05573	3.8
178.06348	20.3
192.07918	15.4
193.08749	6.6
256.37030	0.8
314.11554	1.3
329.13971	100.0
359.10977	1.1
359.15030	16.4
373.84729	0.7
476.90973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01382	100.0
71.01382	56.7
78.95913	1.7
85.02940	8.4
87.00844	2.0
89.02440	78.8
93.83186	1.9
101.02435	34.6
113.02454	24.2
119.03492	28.5
131.03540	3.0
143.03503	3.6
160.05272	10.8
161.04585	3.7
171.00612	1.9
172.05298	3.6
173.05965	1.8
175.07616	6.8
179.05621	25.8
189.05528	3.7
190.06322	13.1
203.86093	2.0
205.08696	8.7
281.08237	2.2
287.20221	1.8
295.18015	2.0
296.10538	11.3
311.13040	8.1
329.13986	3.4
341.13818	17.0
433.22214	2.0
521.20453	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
50.42742	0.3
53.77463	0.4
55.78259	0.4
59.01368	0.5
65.38557	0.4
71.01369	1.2
73.02930	0.5
85.77886	0.4
101.02425	0.9
113.02457	0.6
121.02937	0.8
123.04486	0.5
136.05299	2.1
147.04532	0.6
149.02364	0.7
150.03212	2.9
158.03690	0.5
159.04544	3.0
160.05287	16.8
161.04649	1.6
161.06090	1.9
163.04053	2.1
164.04802	4.4
173.05989	1.6
174.06822	1.0
175.07648	34.3
177.05608	4.1
178.06354	23.8
181.52472	0.5
190.02696	0.5
192.07936	16.5
193.08731	4.6
205.05096	1.1
314.11755	2.0
329.13986	100.0
359.15106	19.5
449.37064	0.6
485.16751	2.2
521.20410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76451	0.7
53.50645	0.6
58.68000	0.6
59.01107	1.1
59.01384	26.0
66.57109	0.6
68.32324	0.7
71.01379	12.1
83.68453	0.6
85.02931	1.3
85.97086	0.9
87.00860	3.5
89.01940	1.2
89.02438	18.9
101.02469	6.8
113.02486	5.6
117.03431	1.7
119.03481	6.4
127.04003	0.8
133.02969	12.6
134.03706	1.6
135.04520	8.8
145.09441	0.8
155.03511	1.5
158.21835	0.7
160.01657	3.2
161.02444	100.0
164.04814	1.3
175.04008	5.9
177.05615	0.8
179.03474	6.7
179.05652	5.2
179.07066	1.2
199.02399	0.8
202.69223	0.9
221.04503	1.1
261.07611	1.4
268.51443	0.8
296.10733	1.1
298.12057	0.9
311.09256	18.8
326.11658	17.7
341.13934	17.2
492.04803	0.8
521.16644	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2045
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01380	31.9
60.12194	1.9
71.01379	14.0
73.02924	2.4
85.02966	4.3
87.00875	3.6
87.98912	1.7
88.23201	1.8
89.02457	3.9
101.02436	10.6
113.02441	7.6
120.35273	1.8
121.02946	1.9
136.01662	2.3
145.03006	2.2
145.75508	2.5
151.04028	9.6
175.31544	1.8
212.77780	2.3
213.16824	1.8
281.08264	18.5
282.09021	8.3
283.09708	7.6
293.08240	3.4
295.09747	2.0
311.09180	2.5
314.11581	12.6
315.12634	3.3
326.11554	17.6
327.12497	10.4
329.13940	19.1
341.14111	4.6
343.11798	2.4
355.11877	4.5
359.14023	11.7
461.26617	2.0
473.14600	14.4
476.16968	19.9
488.16879	3.4
491.19272	100.0
503.19254	89.3
521.20294	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78963	2.3
59.01372	30.9
63.35451	2.5
71.01380	24.7
72.71968	2.8
73.02947	6.5
74.86844	2.9
78.95888	3.2
83.01394	5.9
85.02921	11.9
89.02449	3.9
94.04489	3.0
99.54845	3.0
101.02435	33.7
102.15936	3.1
108.02185	16.3
109.02935	4.6
111.00877	6.9
113.02415	12.1
123.00883	56.0
123.04475	7.5
135.04497	3.2
138.03236	15.6
147.67381	2.8
150.03235	7.3
150.58516	3.1
152.99545	3.4
161.04573	7.3
162.03233	32.2
163.04004	11.7
164.04782	4.2
177.05560	34.8
181.08678	4.4
190.63634	3.4
315.18588	4.8
329.13940	5.4
360.57806	3.4
364.80334	3.3
387.47418	3.3
413.53848	3.8
430.78418	4.1
459.26538	3.8
461.23975	80.8
521.13123	5.5
521.20447	100.0
521.27509	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25818	0.8
59.01101	2.4
59.01381	38.7
71.01375	31.6
72.99310	2.0
73.02935	4.9
75.00873	1.6
81.81445	1.1
83.01399	1.9
85.02948	6.0
85.06584	2.3
89.02457	11.5
93.26369	1.3
97.02938	2.1
99.04508	1.3
101.02449	12.8
111.33432	0.9
113.02444	10.0
113.47114	1.1
115.04008	12.0
119.03478	5.6
129.09224	20.3
139.11285	9.1
157.12387	1.8
161.04611	7.6
179.05754	1.3
183.10262	2.2
190.02704	1.4
201.11345	100.0
205.05083	2.1
265.07196	2.6
359.14859	1.2
363.16650	98.3
461.24033	1.7
478.23672	1.2
521.19995	2.4
521.26691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25818	0.8
59.01101	2.4
59.01381	38.7
71.01375	31.6
72.99310	2.0
73.02935	4.9
75.00873	1.6
81.81445	1.1
83.01399	1.9
85.02948	6.0
85.06584	2.3
89.02457	11.5
93.26369	1.3
97.02938	2.1
99.04508	1.3
101.02449	12.8
111.33432	0.9
113.02444	10.0
113.47114	1.1
115.04008	12.0
119.03478	5.6
129.09224	20.3
139.11285	9.1
157.12387	1.8
161.04611	7.6
179.05754	1.3
183.10262	2.2
190.02704	1.4
201.11345	100.0
205.05083	2.1
265.07196	2.6
359.14859	1.2
363.16650	98.3
461.24033	1.7
478.23672	1.2
521.19995	2.4
521.26691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66622	0.7
53.53418	0.8
55.31037	1.0
59.01383	17.4
61.72217	0.8
66.92669	0.9
68.07763	1.0
71.01376	29.0
72.99305	5.5
73.02945	11.1
75.00868	5.5
83.01393	5.4
85.02947	9.4
89.02439	16.9
91.00360	1.2
99.00877	6.7
101.02438	28.6
113.02444	15.0
115.03985	1.7
119.82980	1.0
125.02431	3.9
126.36863	1.0
131.03506	1.6
131.07144	10.5
132.07445	1.1
143.03545	1.8
143.38472	1.1
149.04578	1.8
159.02968	4.4
161.04526	22.1
178.19203	1.0
190.02670	1.4
191.05542	1.3
233.06537	1.0
329.10526	1.3
329.16171	10.9
341.10373	2.0
359.11359	6.0
363.16718	4.7
461.20377	100.0
521.15973	2.1
521.25452	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2522
Annotation	Cognatine
Peak:m/z	Relative Intensity
52.86383	1.7
57.93369	1.9
58.21188	1.8
69.54366	1.8
78.95913	12.5
92.22478	2.1
107.52946	2.2
110.78802	1.8
113.09712	18.4
145.93021	2.1
152.99573	42.3
167.10742	3.1
179.10867	3.2
195.13899	4.3
226.80075	2.3
293.21286	80.0
344.47864	2.3
392.20294	2.0
520.76709	2.1
521.25256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2531
Annotation	Cognatine
Peak:m/z	Relative Intensity
50.43768	0.8
55.72033	0.8
57.34558	0.9
59.01367	1.8
61.34344	1.0
61.98811	2.1
70.48309	0.9
76.38528	1.0
78.95893	11.0
92.22531	1.1
117.03464	1.1
119.05028	13.4
125.09681	5.3
141.12883	0.9
143.59952	1.0
145.02060	1.0
145.02975	20.2
149.09669	1.9
152.99588	35.4
163.04021	17.1
167.55162	1.0
185.11864	15.4
197.11801	3.5
214.69310	0.9
227.03320	1.7
249.22389	1.1
275.20279	1.1
283.19113	2.3
293.21268	94.7
301.20169	4.1
317.21054	1.1
336.65280	1.0
447.23746	2.0
449.22980	1.3
474.04260	1.1
485.27551	1.1
521.25385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.9
61.98840	1.8
63.79258	1.1
68.54591	1.0
78.95890	9.3
83.09247	1.3
109.06565	4.6
110.98545	1.3
111.49554	1.3
113.02452	1.3
152.99576	38.6
171.00650	2.1
183.10240	7.1
183.13904	29.2
195.14117	1.4
211.13419	11.2
227.03242	2.3
265.21848	1.3
275.20212	10.7
293.21240	36.3
317.21356	2.5
521.25256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2549
Annotation	Cognatine
Peak:m/z	Relative Intensity
54.21204	0.9
59.01390	11.2
60.55974	1.1
61.98840	2.1
69.93241	1.0
77.03456	1.1
78.41961	1.0
78.95900	11.4
82.87465	1.1
88.41861	1.1
97.74603	1.3
121.10226	11.0
152.98326	1.4
152.99577	38.8
171.00691	2.5
171.10265	29.9
172.11980	1.1
177.16585	1.2
185.11792	1.5
185.41237	1.4
195.13869	1.6
200.60336	1.6
227.03456	2.2
231.21127	2.2
266.01556	1.3
275.17227	1.4
275.20178	34.5
293.21268	14.3
521.25214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66524	0.9
56.84930	0.9
59.01386	18.8
71.01382	25.2
73.02938	12.2
83.01387	6.9
85.02940	11.5
89.02432	2.4
96.95998	6.7
97.41592	1.0
99.00879	4.4
101.02444	30.8
113.02454	14.2
128.57719	1.1
130.62347	1.2
143.03528	1.5
146.03740	5.3
159.02977	5.6
161.04556	22.4
161.05899	2.1
164.04771	12.0
179.07150	11.8
200.73267	1.1
223.06154	12.5
315.18216	23.8
329.14215	1.1
359.11441	5.1
432.72263	1.2
461.24005	100.0
500.83664	1.0
521.19922	2.3
521.27051	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95271	1.1
55.97066	1.2
56.55864	1.3
57.13176	1.3
59.01381	100.0
71.01375	32.8
73.02939	25.8
76.13387	1.4
78.68124	1.5
83.01363	3.3
83.05056	1.7
84.40737	1.3
85.02941	8.0
87.00870	5.6
87.04510	2.9
89.02440	34.6
92.73145	1.3
101.02438	51.6
103.03999	14.7
113.02444	10.3
115.03999	11.1
119.03472	14.7
127.03890	2.1
127.77199	1.4
131.03520	15.3
143.03476	18.1
145.05026	3.3
163.06126	48.3
179.05489	1.9
183.10258	1.5
205.07225	19.2
265.09280	10.3
295.36856	1.9
337.05008	1.6
461.24023	86.6
491.18811	3.4
503.19540	1.8
521.21002	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34548	1.0
58.17609	1.0
59.01384	49.1
61.98842	1.1
64.46449	1.0
68.60287	1.0
71.01376	38.9
73.02937	17.1
83.01380	5.1
85.02932	10.1
87.00864	1.9
89.02443	11.1
89.83339	1.1
93.03431	1.2
95.01366	2.0
96.95985	1.2
97.02950	1.6
99.00876	5.7
101.02444	27.9
103.04031	1.8
113.02455	18.2
113.99167	1.2
114.73306	1.1
119.03493	4.9
119.05042	1.4
125.02458	2.6
143.03438	1.8
147.08160	2.6
159.02943	1.5
161.04575	11.6
163.04041	2.6
173.04483	1.6
175.03925	1.1
191.05551	1.3
233.22487	1.3
235.12805	1.3
315.18167	6.7
325.08350	2.2
388.88818	1.3
423.23099	1.3
461.24033	100.0
461.30374	3.5
521.24219	13.6
521.33374	2.1
542.56970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2761
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
51.38562	1.2
54.70174	1.4
56.22248	1.2
59.01386	15.4
61.98821	2.9
63.06679	1.4
67.97699	1.3
69.18537	1.2
71.01366	2.7
73.02962	11.9
75.48012	1.7
83.01352	2.6
83.21782	1.3
87.22256	1.4
100.85301	1.5
101.02412	3.1
119.05024	23.4
145.02957	41.1
150.06776	2.6
162.06787	2.8
163.02699	1.8
163.03996	36.6
167.90488	1.8
177.09103	2.7
202.49791	1.9
202.97890	1.5
221.19081	3.4
233.23189	1.7
233.25717	1.6
251.18852	1.4
265.17947	1.8
283.19016	7.0
299.16968	2.0
299.20197	54.9
301.22040	20.8
343.21039	2.7
462.60681	1.5
462.67725	1.5
503.30820	1.6
521.27258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2762
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
59.01389	14.5
66.46172	0.7
71.01373	4.1
73.02946	2.8
83.01376	1.0
85.02964	3.9
101.02432	6.0
108.50917	0.8
110.20785	0.6
113.02426	2.6
134.29361	0.6
152.99634	1.0
161.04422	0.8
166.86888	0.8
171.79970	0.7
287.20236	1.1
317.21252	51.0
375.25815	0.7
387.21988	0.9
401.23407	1.5
461.25595	23.1
479.26505	33.4
521.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.276
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
52.70315	0.5
59.01384	15.8
59.61206	0.7
71.01381	5.1
72.99309	1.2
73.02946	6.9
83.01390	1.3
85.02959	3.1
89.02441	2.7
92.22454	1.3
93.27637	0.7
94.05999	0.7
95.74724	0.7
101.02432	10.1
113.02409	1.5
116.92804	0.8
119.03545	1.4
179.01270	0.8
193.69362	0.7
235.08972	0.6
285.18558	1.0
286.19012	0.8
287.20346	0.8
299.20166	38.2
299.23544	1.5
310.38159	0.7
317.21265	21.5
329.14453	0.9
401.23236	1.0
461.25519	15.9
477.27728	3.3
479.26608	22.0
521.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2893
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
51.28671	7.6
51.54969	6.8
52.56479	6.6
55.57141	7.5
59.01381	76.4
59.36857	7.0
62.56022	7.0
69.96167	8.3
71.01381	42.0
72.99302	10.2
94.16693	8.1
98.36935	7.9
101.02431	37.1
102.74825	8.2
104.33808	8.1
113.02429	16.3
157.27504	8.0
161.04518	10.4
190.02728	10.7
205.04936	10.8
373.47061	9.6
437.06671	8.7
461.23926	100.0
484.60605	9.6
521.29053	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3124
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
51.77062	0.7
67.96572	0.8
80.32236	0.8
97.06563	1.0
116.35028	0.8
123.08164	2.0
127.11275	1.0
132.75870	0.8
137.09711	3.5
139.11208	1.0
150.06859	21.7
153.09256	1.1
155.10794	3.8
161.02426	1.2
162.06862	30.7
163.07664	3.7
171.10262	1.4
177.09206	24.0
179.10818	5.0
184.10991	2.1
209.08015	1.7
221.11909	1.2
231.13817	1.0
261.18655	4.1
279.19714	1.2
341.19754	1.1
343.21274	28.8
390.06097	0.9
503.30045	13.7
521.31287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.1
69.24544	1.1
69.49476	1.1
69.96834	1.3
71.66809	1.3
77.27940	1.2
97.06540	1.5
123.08142	2.9
134.84874	1.1
141.53165	1.2
146.11523	1.3
150.06857	25.5
162.06879	25.1
163.07668	6.0
176.39102	1.4
177.09196	23.8
179.10742	8.7
209.07933	6.3
261.18582	2.9
343.21286	27.2
346.88287	1.5
439.28409	1.7
442.27460	1.9
503.30289	9.0
521.31250	100.0
543.39825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	58.0
66.73224	1.2
71.01359	8.9
71.04298	0.9
73.02948	6.1
75.47865	0.9
83.01346	1.3
85.02934	7.4
89.02450	1.5
101.02451	13.4
111.30971	1.1
113.02423	7.6
148.23904	1.0
161.04544	1.5
243.60994	1.1
255.02634	1.2
257.19370	1.1
299.25858	1.3
461.31390	2.2
521.33374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28405	0.9
54.33003	0.9
59.01382	53.2
60.85077	1.1
61.02542	1.0
61.74331	0.9
65.36445	0.9
65.48792	0.9
71.01377	9.8
73.02947	5.7
81.85811	0.9
83.01398	2.0
85.02943	7.7
87.00879	1.6
91.54472	1.0
101.02454	14.7
111.30148	1.4
112.64831	1.1
112.79128	1.1
113.02439	5.4
116.92844	5.4
207.85948	1.1
214.33669	1.3
417.85074	1.4
521.33380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07840	1.0
59.01384	87.3
61.98856	1.2
62.22219	0.8
71.01379	17.5
71.12371	1.1
73.02946	6.8
83.01376	2.4
85.02965	7.6
85.88515	1.1
87.51584	1.0
89.02448	4.6
92.81722	1.1
99.00854	1.6
101.02438	14.8
113.02455	8.8
151.80914	1.1
152.04163	1.1
161.04626	1.8
261.28842	1.3
299.25986	2.1
313.57004	1.2
317.21313	5.0
359.28015	1.5
383.69022	1.5
420.48483	1.2
461.31268	4.8
521.27966	4.9
521.33527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	49.7
69.04481	0.9
71.01373	10.7
71.09814	0.9
73.02940	3.9
74.46845	0.8
83.01382	1.9
85.02931	4.9
87.00887	1.5
89.02429	4.2
92.22578	1.0
92.57829	0.9
99.00868	1.0
101.02444	11.2
113.02450	6.7
119.03450	1.2
134.25954	0.8
156.46217	0.9
161.04572	1.4
163.03990	2.0
310.93814	1.0
399.93246	1.1
461.31412	1.1
521.33398	100.0
529.58551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.6
86.00860	1.2
91.80153	1.4
96.57639	1.3
97.06583	5.7
100.50364	1.2
111.54865	1.4
120.64650	1.3
125.09709	100.0
125.10640	3.2
169.08691	2.1
187.09770	48.0
243.12425	10.7
252.69173	1.7
261.13507	14.9
277.21741	56.0
343.18924	1.4
438.07980	1.6
471.39819	1.5
521.34912	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04990	1.6
53.34457	1.9
53.50934	1.6
54.56752	1.7
58.40954	1.9
59.94540	2.3
71.64885	1.9
85.08791	2.1
92.61483	2.3
97.06594	10.7
105.12437	2.1
125.09715	100.0
127.79246	1.9
140.45595	2.2
187.09764	46.7
229.06943	2.4
243.12456	12.8
261.13394	13.8
277.21750	60.2
505.56046	2.7
521.28650	2.7
521.34705	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66865	2.0
59.01349	2.3
61.98832	2.3
65.91754	2.6
71.94995	2.4
75.94213	2.5
77.44867	2.5
97.06593	6.4
106.58900	2.7
125.09711	100.0
126.09338	2.6
187.09761	41.6
201.85150	2.6
243.12314	5.4
261.13364	13.5
277.21786	48.5
521.34894	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73460	1.3
53.13792	1.1
62.87909	1.2
69.96310	1.3
78.95928	2.1
79.95747	1.6
80.96538	1.9
81.08984	1.3
99.00880	13.2
125.09773	2.3
179.14603	1.3
181.12354	23.5
193.98540	1.8
195.13942	1.7
196.16248	1.6
199.13445	14.8
207.10303	40.8
225.09152	3.3
225.11357	80.9
243.12369	36.4
277.21841	6.9
295.22733	14.7
431.46594	1.6
441.33792	2.2
521.34967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89038	2.4
59.01383	6.6
59.93424	2.1
65.75359	2.1
66.82069	2.5
74.89785	2.6
93.94836	2.4
96.33547	2.3
97.20511	2.5
98.85593	2.3
99.00922	3.4
107.60854	2.2
130.64745	2.6
181.12343	31.2
199.13414	37.9
201.11351	12.9
207.10277	35.6
225.11365	100.0
243.12408	62.6
249.18610	4.9
277.21802	29.7
311.22195	11.7
364.31525	3.4
461.76395	3.1
521.34839	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79114	0.9
60.34087	1.2
62.66900	0.9
64.50557	0.9
70.02975	14.4
70.79323	0.8
77.54234	0.9
79.74587	1.1
82.63871	1.0
85.23570	0.9
89.59523	1.0
105.43008	0.9
114.01956	33.9
123.03251	4.2
132.04381	1.1
138.05612	100.0
142.30128	1.0
148.07639	2.3
177.47998	0.9
191.08295	2.4
192.06613	1.8
194.06960	7.6
209.09335	61.2
232.38927	1.2
247.04216	0.9
266.41461	1.1
339.32846	1.3
406.33368	5.2
416.35306	1.3
459.35641	1.3
473.07965	1.1
476.59732	1.0
503.35068	4.2
521.36053	84.7
538.43915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.66181	4.0
67.35993	3.4
67.89793	3.7
70.78297	3.8
71.01379	25.5
88.32724	3.8
92.23125	5.8
125.01079	4.3
132.91681	4.0
184.11522	3.7
257.57101	4.4
268.34702	4.7
354.43195	4.8
387.82016	4.1
462.16129	20.8
471.97949	5.5
499.61386	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65246	8.6
56.72937	9.0
58.69536	8.8
59.01379	52.7
59.40789	8.4
64.43389	9.3
70.14371	9.4
72.99314	48.5
101.02389	15.8
110.86184	12.6
125.06049	16.1
169.05067	22.4
263.11249	46.4
381.97830	12.5
415.16104	15.1
462.16077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09515	3.7
57.87603	3.5
59.01382	100.0
60.01703	5.5
60.38686	4.1
61.98834	15.5
71.01383	49.8
72.99297	19.3
85.02934	6.1
87.00873	19.1
89.02431	76.8
90.02805	5.9
101.02416	30.6
107.21572	3.8
113.02433	20.8
119.03498	17.8
125.06058	16.2
127.04015	4.7
169.04979	16.2
179.05588	15.8
198.19804	4.4
257.69452	4.8
263.11346	18.6
278.10995	4.1
299.12418	5.6
311.09244	28.5
312.09689	62.9
312.47198	4.6
326.11566	29.6
327.11923	65.8
341.13879	9.9
342.14264	56.3
415.16238	6.2
449.32983	5.0
462.16324	40.2
522.17029	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59545	0.4
59.01373	4.3
61.98834	100.0
71.01379	0.9
78.63148	0.5
85.02977	0.6
92.22559	1.0
101.02445	0.8
106.80315	0.6
106.90392	0.6
124.20235	0.7
136.69070	0.5
156.57430	0.6
160.05312	2.2
161.05649	1.0
175.07639	3.7
176.08020	1.3
178.06340	1.0
179.06700	1.1
193.08316	1.2
324.58051	0.8
329.13913	4.1
330.14340	12.5
360.15387	3.0
522.26569	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36025	1.1
50.76075	1.2
52.62739	1.0
55.95484	1.0
67.04809	1.2
67.39275	1.2
70.91155	1.3
79.38671	1.1
88.63563	1.2
124.04030	2.1
136.07671	22.0
160.04031	2.4
166.40726	1.3
176.03479	1.8
180.35515	1.2
190.05103	13.0
215.11919	1.8
227.08272	1.3
239.11908	17.7
240.10304	6.7
241.09851	2.2
253.06190	5.9
255.07800	2.4
255.11400	6.0
267.07703	4.8
268.08530	10.2
281.09351	6.4
283.10907	100.0
294.10138	2.0
307.35077	1.5
309.08865	12.5
327.09946	5.8
446.17422	6.6
490.16254	36.0
522.18823	90.8
526.44684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07344	0.8
52.88833	0.9
53.33384	0.9
56.74675	0.8
57.37705	0.9
99.66381	1.1
109.02947	6.1
134.03743	12.6
134.26579	1.3
135.04518	1.6
136.01637	8.0
146.03653	2.2
147.04520	4.2
150.03123	1.4
151.03987	12.4
154.01476	1.8
164.07208	17.7
173.06059	1.7
174.03221	10.1
175.04036	5.7
176.04816	1.7
189.05594	14.1
191.07170	1.9
237.63466	1.4
266.09558	1.9
267.06567	6.2
281.08304	1.6
282.09000	23.3
283.09717	2.7
296.10382	2.0
297.11377	24.7
309.09982	1.2
338.10345	1.2
356.11499	7.0
368.11435	6.0
372.12759	1.1
460.17706	2.3
475.16025	4.8
490.18741	100.0
522.21362	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33084	1.8
58.00393	1.9
64.69013	1.9
72.11104	1.9
77.16864	1.8
92.23075	2.8
114.43078	2.2
133.02951	4.5
134.03737	12.8
135.04506	10.2
148.05295	24.2
149.02428	16.9
149.06073	15.0
150.03198	8.5
164.04834	4.7
176.07304	2.6
178.05086	26.4
190.05113	4.7
274.20276	2.2
281.07065	2.1
297.10068	24.3
298.10800	3.0
310.10846	2.6
311.11691	12.9
312.12439	99.6
402.13406	3.4
413.12634	2.4
416.15369	3.5
417.16040	3.1
460.17743	100.0
493.64340	2.3
522.20905	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57616	0.4
59.01375	1.1
60.67852	0.5
61.98836	100.0
73.83218	0.5
121.74091	0.6
124.00546	0.7
129.27208	0.6
141.11432	0.6
153.22400	0.6
193.33870	0.6
206.06310	0.6
248.16940	0.5
387.40823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.95950	0.3
61.98832	100.0
68.13707	0.3
75.00857	0.5
75.19642	0.3
92.23119	0.3
92.68146	0.3
116.51112	0.3
131.14870	0.4
151.38208	0.3
186.09184	0.3
205.05144	0.4
352.73511	0.4
375.70612	0.4
455.46954	0.4
462.23489	1.8
522.21960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52358	0.5
52.49166	0.6
59.01368	0.7
62.43830	0.5
94.03026	0.5
96.04543	8.8
98.03726	0.6
107.04974	0.6
122.06090	5.4
124.07664	3.0
125.09709	2.2
140.03542	4.1
140.07172	1.3
150.05609	41.8
152.07188	1.1
154.45509	0.7
163.11215	1.1
166.05185	1.1
168.06674	11.9
181.12373	8.4
187.48447	0.5
194.04642	1.4
207.10284	14.3
212.05687	8.1
224.12927	16.0
224.16371	0.8
225.11346	23.6
242.09911	0.5
250.14525	4.0
256.32101	0.6
262.14346	0.7
268.15579	2.7
280.15601	4.9
281.28461	2.2
295.26205	0.7
309.28067	6.8
394.05750	0.6
474.35965	0.7
492.36938	0.6
504.33371	11.5
522.38721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54268	0.4
66.19761	0.4
68.48358	0.5
81.71840	0.5
96.04522	0.5
99.00904	0.8
107.83553	0.4
125.09752	0.7
150.05608	0.9
163.11285	2.9
180.13885	0.7
181.12335	7.0
185.11862	0.8
197.11894	0.7
206.11868	1.0
207.10297	11.2
223.36841	0.6
224.12909	13.3
225.11340	21.0
250.14482	3.7
268.15637	2.0
280.15598	4.9
330.15372	0.6
360.68332	0.5
457.46771	0.6
489.86499	0.6
522.38080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30564	0.9
57.03443	1.6
59.01148	1.0
59.01389	16.7
59.37167	1.0
67.64188	1.0
71.01376	22.3
72.99305	36.7
73.02942	8.5
74.86930	1.6
81.03465	1.3
81.36115	1.0
85.02957	5.4
86.27306	1.1
87.00854	1.4
89.02425	12.6
97.02933	2.5
99.00873	2.6
99.89851	1.1
101.02434	14.5
109.02943	1.7
113.02416	9.4
119.03481	2.3
122.03742	1.9
123.04500	8.4
135.04466	10.8
137.02425	1.9
151.04028	7.8
161.04578	8.0
164.01157	38.6
165.01886	14.1
165.05598	2.8
169.08704	8.7
179.03503	46.7
193.93886	1.1
197.04570	100.0
259.08353	10.3
263.11365	2.5
277.09372	1.4
280.67853	1.4
313.10974	6.5
331.17725	2.7
346.14325	2.6
359.09906	12.4
361.06088	1.5
361.12781	2.1
361.16714	19.8
365.18179	5.6
449.75424	1.2
463.12460	1.5
463.22726	23.1
523.11023	88.4
523.18561	4.7
538.55365	1.2
541.52936	1.2
547.66437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20407	1.1
59.01382	1.7
71.83592	1.1
75.35578	1.2
78.95926	1.9
80.25983	1.1
98.90627	1.2
101.47611	1.4
109.02943	10.4
125.02458	2.8
131.41600	1.4
135.76930	1.2
137.02443	90.6
137.99554	2.3
145.06665	2.4
148.01646	2.3
149.99619	2.1
151.00362	2.0
152.99631	1.6
171.04556	5.4
173.06055	7.1
179.03529	2.3
193.83517	1.4
207.02931	11.5
225.04039	29.3
241.08749	2.9
243.06630	38.7
254.05936	4.5
255.06657	33.7
267.06677	5.7
285.07721	100.0
297.07706	45.0
409.57501	1.4
523.29559	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18766	0.4
59.01385	1.0
60.52859	0.4
60.89693	0.4
63.23963	0.4
71.01379	6.8
72.99316	3.6
78.95899	38.3
82.11504	0.5
82.22467	0.4
87.00877	3.0
89.02428	0.5
96.96954	100.0
106.81097	0.5
110.98543	3.8
115.00362	1.9
125.94662	0.6
129.01923	0.5
146.46489	0.5
147.02992	9.7
169.01437	1.9
179.03398	0.7
179.05643	0.6
179.41054	0.5
191.05644	4.6
197.04588	0.5
234.53392	0.5
278.38867	0.5
331.06583	0.8
444.89291	0.5
512.18970	0.6
523.14545	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.144
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	33.7
80.38876	0.3
96.96956	100.0
98.91451	0.3
139.00958	0.4
154.38995	0.4
165.67732	0.3
206.31868	0.3
260.33090	0.5
382.75003	0.4
384.67953	0.4
403.38159	0.4
471.11655	0.4
523.14325	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04394	0.3
59.01383	0.5
60.40007	0.3
61.29470	0.3
85.02949	2.7
85.64756	0.3
103.81643	0.3
127.03971	0.5
134.19177	0.3
169.01450	1.8
173.04565	0.8
191.05623	100.0
192.05951	0.7
197.52541	0.4
221.54950	0.4
331.06863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.177
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
77.95972	1.1
78.95888	2.0
79.01892	1.8
97.02912	2.8
121.02930	8.1
139.03986	7.3
151.04024	1.1
151.13640	1.3
152.99590	2.0
165.01915	37.8
185.09723	1.5
237.80219	1.1
245.96674	1.3
291.06644	1.8
303.10281	1.7
305.08420	1.6
305.11865	2.5
321.11288	1.8
331.09637	2.7
333.07837	2.3
334.08533	12.6
348.10104	1.8
349.10858	81.3
350.11359	1.5
523.17639	100.0
523.30042	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35673	2.6
65.54073	2.6
68.46910	2.3
76.51248	2.7
99.92593	15.0
100.93366	14.1
115.42246	2.7
115.92075	22.0
116.92022	3.3
116.92860	96.1
217.21172	2.5
218.38266	2.7
300.30798	3.0
340.00562	9.5
341.04938	3.3
355.02621	4.5
355.06412	35.6
367.06421	5.5
368.07434	5.8
410.12112	12.9
421.07764	4.1
436.09882	98.7
456.01447	2.9
479.19009	29.7
505.17072	15.2
523.18060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1828
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
51.04766	0.6
57.04952	0.6
59.01384	4.4
64.24843	0.7
71.01393	4.1
73.02920	1.1
75.84883	0.7
83.01385	3.4
85.02950	0.9
86.54124	0.7
89.02446	5.8
94.11072	0.7
101.02457	3.8
104.18347	0.9
105.30566	0.7
113.02452	1.4
116.51481	0.6
119.05025	0.8
133.02936	3.0
134.03749	0.9
135.04512	5.0
145.02959	1.2
161.02443	100.0
165.05640	0.9
173.04730	0.8
173.06401	0.9
179.03464	5.8
191.05620	1.1
201.11354	1.3
205.05092	9.5
259.06070	1.0
343.12012	1.6
355.15463	0.8
361.22504	1.1
391.13962	1.0
425.14590	64.8
463.21262	2.2
523.18121	17.2
523.25800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1829
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
55.85428	0.9
59.01380	5.0
71.01392	2.0
73.02934	1.1
75.00863	1.4
85.02931	1.7
90.58463	1.0
101.02438	4.3
105.01959	2.1
115.03995	1.8
133.02922	4.1
134.03737	1.7
135.04527	76.6
161.02448	71.9
161.03830	1.1
173.93047	0.9
179.03505	73.0
185.29829	0.9
190.56880	1.2
193.06621	1.9
259.06204	1.2
277.07169	1.0
523.18274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57613	1.2
59.01369	3.1
59.46038	1.5
60.79248	1.2
87.00865	39.5
89.02425	3.0
89.08447	1.6
96.96033	2.7
165.01898	14.3
176.04874	1.4
179.03534	12.0
180.04294	40.5
194.05827	21.2
195.06642	100.0
206.37753	1.5
209.08215	11.6
210.05325	16.5
225.07666	27.9
237.24815	1.4
313.09363	2.5
357.09763	8.0
372.12128	10.1
387.14496	15.9
388.18332	1.5
435.16702	14.7
463.22073	2.4
501.55658	1.5
523.18152	61.0
523.25159	2.9
532.94568	1.9
545.35852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93826	1.3
55.72178	1.3
59.01368	8.9
63.90221	1.2
64.59167	1.2
70.40874	1.4
71.01380	9.9
72.99332	1.8
73.02942	1.7
82.99377	1.2
85.55002	1.6
87.00854	2.3
89.02431	12.1
96.96034	2.6
99.00883	2.1
101.02438	8.0
113.02413	2.7
123.04503	1.9
135.04539	3.0
149.02428	16.5
149.04594	2.7
151.04042	2.2
152.01143	6.4
161.04498	2.8
163.04007	3.7
164.04796	65.2
165.01932	15.1
166.02727	2.7
179.03542	13.0
179.07132	20.4
180.04250	17.9
181.05020	11.4
184.54742	1.6
191.05638	7.7
193.01483	11.0
194.06035	2.5
195.06619	22.1
208.03778	100.0
210.05396	8.6
222.05365	9.6
223.06133	86.8
225.07643	6.4
237.07726	1.5
246.74211	1.6
263.55206	1.7
296.94241	1.5
305.21973	1.5
331.17554	3.2
387.14349	1.8
435.16736	2.5
463.21942	24.5
523.18347	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.183
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
50.87211	0.9
53.05066	0.9
59.01381	6.9
59.36745	1.0
65.17656	1.2
65.75351	1.1
69.44773	1.0
70.19995	1.0
71.01378	4.9
83.43488	1.0
85.02956	1.3
86.42063	1.0
89.02453	2.5
101.02451	2.7
113.02473	2.4
116.77631	1.0
119.04171	1.8
119.05022	53.5
122.03780	2.2
123.04478	1.4
129.19518	1.4
129.84840	1.3
137.69528	1.2
145.02956	35.4
160.05298	4.5
161.05904	1.3
163.04013	100.0
165.05573	7.6
173.09552	1.2
175.07652	7.8
176.08031	6.4
177.08212	2.0
178.06303	6.7
179.06717	2.5
189.05603	8.9
192.07980	2.0
192.47504	1.1
193.08321	2.7
194.08527	2.0
329.14069	15.4
330.14243	14.7
331.14560	24.5
346.14105	4.6
359.14908	1.3
361.16553	38.8
425.14606	84.0
446.34848	1.4
463.21939	6.3
523.18329	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54659	0.8
56.97697	0.9
59.01384	4.3
59.75109	0.9
71.01368	4.5
72.99300	0.8
74.98178	0.8
81.03483	1.1
85.02957	1.1
88.60355	0.9
89.02441	1.3
92.22500	1.5
93.03454	6.3
101.02449	1.9
111.04542	1.1
115.03983	1.8
117.03452	2.3
119.05018	88.2
135.04485	1.5
137.02417	18.1
145.02948	36.0
163.04012	100.0
205.05016	1.6
212.51714	0.9
231.05060	4.1
332.68347	1.0
404.67477	1.1
425.14572	90.4
495.13965	1.3
523.16809	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70747	1.0
52.73502	1.0
56.42820	1.0
59.01379	9.0
69.11782	1.2
71.01381	16.1
72.99308	27.2
73.02943	6.2
77.36132	1.1
85.02945	5.9
87.00877	25.6
89.01926	1.4
89.02428	10.8
98.97890	1.1
101.02452	17.0
106.49592	1.4
113.02401	9.8
119.03539	1.9
119.06380	1.3
123.04522	11.3
131.03484	1.3
135.04501	11.4
143.03496	1.6
159.02997	1.9
160.43983	1.3
161.02446	2.2
161.04561	8.7
165.01941	15.0
176.04810	8.0
179.03516	39.8
180.04306	48.0
191.07161	1.7
194.05823	18.1
195.06653	100.0
197.04568	27.3
197.06258	2.3
209.08182	13.6
210.05341	16.5
225.07672	29.6
331.17651	6.2
356.31763	1.3
357.09833	7.1
372.12225	12.2
387.14514	19.1
435.16611	28.7
463.21997	45.5
493.20032	5.4
500.43442	1.5
505.19824	7.3
523.17950	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1828
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
56.98038	22.3
59.01385	10.0
62.63841	1.1
67.00642	1.0
71.01371	2.0
72.99296	1.4
74.99087	13.7
85.02960	2.2
87.00872	1.1
88.70926	1.1
89.00663	4.9
94.51295	1.0
96.51070	1.0
97.02921	1.4
101.02451	2.2
105.01929	28.6
113.02453	1.5
115.03997	4.3
117.00136	4.8
118.98080	10.1
133.02922	6.7
134.03714	2.4
135.03482	2.2
135.04524	65.8
161.02443	62.7
179.00211	19.4
179.03505	58.9
190.58560	1.1
277.07065	1.2
343.22525	1.8
523.18195	100.0
523.34998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1826
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
54.03621	0.6
58.23885	0.6
59.01373	1.4
69.93067	0.7
70.15201	0.6
71.01361	1.0
72.78176	0.7
89.85316	0.8
101.02451	1.8
113.02402	0.9
115.03991	4.8
117.03426	1.8
118.04247	1.0
119.05015	81.4
127.03913	0.9
130.11600	0.8
145.02939	35.5
163.04008	100.0
188.23177	0.7
196.05536	0.9
275.64230	0.7
347.32016	0.8
421.81183	0.9
425.14597	78.2
523.18726	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45071	0.6
55.01862	0.8
56.24776	0.5
59.01382	31.8
71.01377	27.5
73.02940	6.8
83.01381	3.7
85.02947	12.0
89.01878	0.8
89.02437	20.6
89.02958	1.1
95.01364	3.4
97.02941	1.3
99.00874	2.7
101.02437	32.8
113.02444	21.0
115.04008	0.9
119.03520	6.6
121.02911	0.8
129.02010	0.7
132.27606	0.6
159.03015	1.1
161.04561	8.5
179.05614	1.3
185.84444	0.6
234.27121	0.6
263.11365	15.8
328.74414	0.8
425.16711	100.0
446.98190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48003	2.5
52.06708	2.5
55.30327	2.6
59.01098	4.5
59.01381	84.7
60.32278	2.4
71.01379	100.0
73.02943	14.2
74.99103	3.5
81.42680	3.1
83.01369	5.7
85.02946	15.6
89.02437	78.5
89.27413	3.2
95.01387	3.7
97.02954	4.3
99.00898	7.0
101.02441	65.0
111.00843	4.1
113.02435	46.5
115.03986	31.0
119.03465	12.6
125.64740	3.0
128.35461	3.6
131.03497	3.6
141.27161	4.2
149.04529	7.3
161.04570	17.0
178.22426	3.2
259.08286	41.4
263.11331	73.8
277.09409	6.5
331.17532	13.5
463.21851	90.8
487.82065	3.5
523.20386	5.6
523.27850	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80814	0.7
51.53966	0.8
55.01871	1.3
57.10754	0.7
59.01102	1.6
59.01384	32.1
69.77696	0.9
71.01382	24.3
73.02963	7.2
73.03309	0.8
73.20452	0.9
76.93062	1.0
79.29850	0.9
82.53472	0.9
83.01385	4.3
85.02936	12.8
88.25167	0.9
89.02434	18.7
95.01387	2.1
99.00864	1.8
101.02440	34.4
101.06061	1.0
112.26852	1.1
113.02440	19.0
119.03481	8.6
125.02408	1.1
143.03479	0.9
161.04597	7.4
176.89760	1.0
179.05656	1.6
207.19492	1.0
241.36620	1.0
263.11398	13.5
275.47586	1.1
287.52707	1.0
354.22720	1.1
425.16699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	60.3
60.24738	2.6
71.01378	100.0
73.02941	7.1
75.00864	3.3
85.02943	18.9
88.16676	2.9
89.02441	51.9
95.49855	3.9
97.02939	13.7
99.00866	4.3
101.02451	46.6
104.69201	3.4
113.02431	34.1
115.04002	34.3
119.03468	7.2
161.04544	19.8
176.26782	3.4
197.04555	3.6
259.08246	73.4
263.11374	82.9
277.09354	18.5
298.06262	3.5
343.42926	3.6
361.12878	4.5
365.18146	6.0
463.21738	4.4
523.12280	13.5
523.20319	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13475	3.2
53.79410	2.5
53.96066	2.3
54.11961	2.6
54.32815	2.5
57.02531	2.6
57.03449	13.2
59.01381	60.1
63.06373	3.4
71.01374	92.5
71.01776	3.1
73.02942	17.2
73.91467	2.8
76.20710	2.8
82.92255	3.4
85.02946	14.8
86.67488	2.8
89.02441	48.4
92.23105	5.9
95.01338	3.0
97.02934	7.5
101.02434	51.6
113.02436	25.9
115.04005	22.7
119.03465	15.5
140.89061	3.2
161.04514	12.7
169.08727	13.4
181.44879	3.4
195.08374	3.1
200.46317	3.3
259.08246	55.9
263.11407	100.0
273.92850	3.4
276.26941	3.2
277.09232	17.2
330.14209	5.2
331.14685	4.1
388.73203	3.9
391.96960	3.6
401.70520	3.3
463.18124	32.5
523.19611	4.4
549.49091	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2191
Annotation	Mascaroside
Peak:m/z	Relative Intensity
59.01383	100.0
60.28248	0.8
71.01370	2.3
73.02937	1.0
85.02947	1.8
89.02437	1.8
101.02417	4.1
109.02899	1.0
109.87308	1.1
113.02419	1.2
122.03735	2.0
143.33243	1.0
151.71997	1.1
157.96729	1.1
165.05563	5.7
217.78615	1.1
343.15552	1.6
346.14197	4.5
361.16638	18.3
523.21997	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.219
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
67.10350	0.5
70.67641	0.5
79.36472	0.5
104.61131	0.5
109.02952	3.7
121.02971	3.0
122.03725	6.5
134.03722	1.9
135.04469	0.8
136.05322	0.9
147.04527	0.8
147.14435	0.5
165.05568	23.6
179.07132	6.4
222.11694	0.5
275.39090	0.6
298.11966	0.8
313.14578	0.7
315.12363	2.9
346.14240	13.9
361.16611	100.0
523.22028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2194
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.60122	0.6
55.01901	0.7
59.01392	14.4
63.29849	1.0
63.81504	0.7
66.43637	0.6
71.01389	7.8
73.02952	3.3
76.54644	0.7
80.35395	0.7
83.01361	1.2
84.45654	0.7
85.02952	5.5
89.02444	4.6
101.02422	9.6
113.02446	3.6
117.24167	0.8
119.03452	0.9
122.03738	5.9
135.04561	1.2
153.07228	0.8
165.05560	14.2
166.12447	0.8
179.07135	3.5
223.09839	1.3
298.11926	1.2
313.14420	1.5
315.12442	1.1
328.13232	1.7
343.15479	1.9
346.14243	12.2
347.14871	1.1
361.16629	41.2
511.08673	0.9
511.48383	0.8
514.30011	0.9
523.21954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
71.01370	2.5
72.99310	1.1
73.02932	0.9
75.00869	100.0
76.19055	0.5
82.49120	0.4
94.37727	0.4
101.02425	0.8
111.45375	0.5
113.02438	0.8
140.16840	0.5
143.45557	0.5
161.04565	0.9
169.14143	0.5
183.16805	0.5
228.15756	0.5
285.04117	2.5
300.06436	7.0
314.88437	0.5
315.08780	4.4
315.18207	2.9
345.09821	3.2
447.22397	14.0
523.16772	0.9
523.23926	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38670	0.5
53.15375	0.4
59.01390	1.0
71.01348	0.6
72.99310	2.3
73.02886	0.6
75.00866	100.0
87.53462	0.6
91.61717	0.6
101.02429	0.9
124.19714	0.5
128.11787	0.5
150.30812	0.6
161.04523	1.4
165.23459	0.6
272.11734	0.6
285.04056	0.6
300.06351	2.9
315.08798	2.5
315.18130	1.1
345.09875	1.2
447.22394	12.5
492.22400	0.6
506.61435	0.6
518.24261	0.6
523.16418	1.7
523.24078	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84969	0.7
59.01379	3.7
63.03114	0.9
70.55122	0.9
71.01381	13.9
72.11323	0.9
72.99302	4.2
73.02944	6.6
75.00868	75.2
78.95918	0.8
79.16534	0.8
83.01410	1.0
85.02942	5.2
89.02451	3.9
99.00907	3.4
101.02435	18.1
110.68201	0.8
113.02457	10.6
116.99424	0.8
121.55251	0.8
143.03490	0.8
149.97246	1.0
159.02925	1.5
161.04553	16.9
287.66818	1.0
315.18216	16.5
343.95422	1.2
361.16583	1.0
367.83450	0.8
447.22406	100.0
477.88995	0.9
523.24042	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.6
64.77271	1.3
71.01381	53.1
73.02946	8.0
85.02971	3.3
89.02439	100.0
91.40942	1.7
101.02441	46.3
109.39222	1.9
113.02454	12.9
119.03481	3.2
131.03491	23.5
143.03470	2.0
149.04556	59.2
161.04576	2.7
164.88507	1.5
191.05678	14.8
210.45889	2.1
293.08710	2.3
311.09830	10.9
413.91711	1.8
463.21954	8.4
516.26923	2.3
523.21033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65918	1.2
58.11953	1.5
59.01386	63.3
71.01381	44.9
73.02944	9.5
75.05880	1.3
85.02956	8.5
89.02441	100.0
92.23040	2.1
101.02444	34.6
113.02450	15.1
119.03490	7.9
131.03508	25.2
143.03551	2.1
149.04561	39.5
186.71075	1.4
191.05621	14.1
192.02943	1.4
311.09903	3.3
317.59952	1.4
331.17560	2.5
361.16440	1.5
366.53351	1.4
374.38306	1.3
463.21973	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.9
71.01377	23.7
73.02946	10.0
77.10953	0.7
83.01383	1.3
85.02942	8.7
85.27869	0.8
85.39497	0.9
89.02453	8.3
97.02931	1.1
99.00884	6.2
101.02441	30.4
113.02455	15.5
125.02425	1.3
129.02032	1.0
143.03444	3.6
159.02980	5.4
161.04541	23.0
175.71069	0.9
193.02090	1.2
208.04384	7.1
209.04787	2.3
218.42979	0.9
250.76343	1.0
331.17676	15.8
335.31433	1.0
349.74353	1.0
394.87564	0.9
463.21918	100.0
523.14935	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01384	31.2
59.72515	1.3
62.93773	1.0
71.01379	36.8
73.02946	10.2
74.99091	5.5
83.01384	1.7
85.02939	14.1
85.67450	1.2
89.02441	25.5
95.01397	2.3
97.06339	1.3
99.00875	5.4
101.02443	30.1
113.02433	23.9
119.03493	7.5
125.02415	2.1
131.03502	1.4
136.99179	3.0
149.04532	1.6
159.02980	1.5
161.04538	8.3
168.36926	1.4
178.06204	1.3
312.62430	1.4
329.14066	2.9
330.14386	3.0
331.14435	6.6
331.17691	18.8
463.21945	100.0
500.62286	1.6
523.28137	1.6
547.83679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91454	1.8
59.01375	3.5
63.45587	2.0
71.01382	21.2
72.68106	1.9
73.02956	4.7
85.00916	2.0
85.02942	9.1
89.02433	4.3
99.00855	4.1
101.02448	25.8
110.76369	2.2
113.02448	13.3
125.02433	2.0
159.03023	4.2
161.04553	25.5
181.56703	2.2
183.92557	2.1
217.08154	2.0
250.81114	2.2
322.68719	2.2
331.17679	15.6
335.70105	2.7
463.21909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10389	1.6
59.01376	13.7
71.01378	20.5
73.02942	8.7
85.02953	10.6
85.43957	1.6
89.02435	9.1
92.23248	1.9
99.00830	7.2
101.02438	29.4
101.70853	1.8
105.75999	1.6
113.02425	12.5
114.74099	1.9
116.63612	1.8
133.01405	2.9
139.63606	1.9
159.03001	4.1
161.04553	19.6
170.68982	1.6
213.16772	1.7
284.63867	2.0
287.26294	1.7
331.17599	13.2
463.21863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48524	2.7
54.53957	2.6
59.01377	4.2
69.31107	3.4
71.01377	19.6
73.02925	6.6
73.18558	2.8
83.01370	3.0
85.02953	7.6
89.02444	5.6
89.83645	2.9
99.00908	4.9
101.02441	20.6
101.09968	3.2
113.02454	15.7
159.15906	4.0
161.04584	26.5
165.05537	18.4
179.07133	5.6
184.35249	3.7
226.34485	3.1
331.17572	8.1
332.54971	3.2
346.14050	6.2
361.16571	50.7
463.21936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85735	1.0
59.01387	15.4
61.25084	0.9
71.01376	27.7
73.02937	9.7
75.00885	1.3
77.82253	0.9
79.30364	1.0
85.02946	8.7
87.00938	1.4
89.02438	20.8
89.76048	1.1
96.96001	5.0
97.02941	2.5
99.00893	8.3
101.02445	24.5
106.14484	1.2
111.00875	1.9
113.02438	16.1
125.02437	6.3
128.36728	1.2
131.03528	1.7
131.71069	1.3
143.03493	4.3
149.02437	1.7
159.03014	5.4
161.04570	27.6
164.04825	7.5
164.12442	1.2
179.03487	1.3
179.07127	1.6
180.04292	6.4
186.23674	1.2
191.05765	2.2
195.06660	9.2
197.04631	1.3
205.05074	2.2
208.03802	4.5
210.05273	1.8
223.06145	13.4
225.07594	1.7
233.06700	12.0
244.34335	1.3
247.98128	1.3
293.09003	1.8
331.17712	5.0
361.16650	2.1
449.14792	2.4
463.21939	100.0
489.68430	1.4
523.17175	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78962	1.2
59.06083	1.0
64.28244	1.2
64.81274	1.2
66.44390	1.5
72.73688	1.1
78.94115	1.4
78.95901	100.0
79.93862	1.3
81.19025	1.2
85.28678	1.3
87.04511	5.9
92.09599	1.5
93.04697	1.2
96.95971	2.0
107.64470	1.4
113.03568	1.6
124.16021	1.4
125.58830	1.3
131.03494	8.5
131.04512	1.9
152.99585	80.3
163.66492	1.5
171.00623	1.8
178.21811	1.4
195.23131	1.5
227.03371	1.5
255.23311	56.1
295.26434	91.0
328.81906	1.4
391.22827	2.6
409.23657	17.0
523.27014	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65014	0.9
57.03440	0.8
59.01364	1.9
61.98822	1.6
78.95902	10.1
92.22520	2.1
97.02962	1.4
105.38166	1.0
108.09614	1.0
108.54590	0.9
125.09673	1.7
135.04504	1.1
152.99597	35.4
161.02411	6.1
162.06821	2.2
171.00613	2.1
171.10283	35.9
177.09062	1.5
179.03404	1.4
183.10234	2.0
184.50235	1.1
197.11685	1.2
210.86432	1.1
215.02484	1.2
227.03188	2.3
245.45520	1.1
277.21741	50.3
295.19971	1.4
295.22842	29.3
300.68167	1.1
316.80853	1.1
345.22925	2.1
431.24130	1.7
467.74948	1.2
523.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16619	0.5
59.01378	4.7
68.85963	0.5
72.41428	0.6
78.95905	7.8
97.06588	1.2
113.02460	1.4
113.09720	2.6
117.03426	0.8
152.99586	32.7
158.23689	0.6
161.02412	0.7
171.00612	3.6
171.10300	1.5
179.14400	0.7
180.49115	0.7
183.13896	0.8
195.13916	27.5
227.03183	2.6
245.04277	1.0
277.21735	29.1
295.22818	65.9
319.22888	1.2
424.70306	0.7
463.26932	1.5
468.41241	0.6
523.26825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06907	1.9
59.01363	2.3
60.75615	1.6
61.98819	3.5
63.56060	1.5
76.79192	1.8
78.95885	8.5
80.91631	2.0
86.17602	1.6
152.99602	19.6
162.06854	2.3
177.09207	3.4
179.14532	2.1
195.13940	32.9
225.11105	2.1
277.21750	30.9
295.22809	84.4
345.22937	7.6
523.26654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45337	1.4
56.88724	1.6
59.01368	2.7
60.80793	1.6
71.68803	1.7
78.95896	11.2
82.56082	1.8
129.63510	1.9
152.99583	47.7
166.37892	1.7
167.54094	1.7
171.10265	42.2
173.04477	1.7
227.03188	2.1
245.04448	1.9
277.21762	52.2
285.02625	2.3
295.22778	36.8
440.09766	2.1
505.41754	1.8
523.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87352	1.2
59.01382	2.6
59.41629	1.1
63.38988	1.1
78.95901	8.0
80.30715	1.3
85.45213	1.2
102.16397	1.2
109.20486	1.5
116.35446	1.5
152.99603	33.4
171.00610	1.9
171.10269	7.0
177.12988	1.2
195.13907	29.9
227.03415	2.1
248.22534	1.4
277.21741	31.5
295.22818	68.5
315.86569	1.4
414.28223	1.5
451.70712	1.3
523.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2767
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
55.01855	0.5
58.42309	0.5
59.01383	7.6
63.27841	0.5
68.81908	0.5
71.01386	6.7
72.99306	2.5
73.02946	2.6
78.95901	2.2
83.01400	1.3
85.02944	2.8
87.00867	1.4
87.65367	0.5
88.61936	0.5
89.02445	4.0
97.02890	0.7
99.00834	1.2
101.02432	5.5
112.11602	0.5
113.02428	3.1
124.01664	0.6
125.02450	1.3
131.03450	0.9
149.02521	0.7
191.05646	0.7
193.05183	0.6
193.35670	0.6
202.08334	0.7
211.17053	0.9
211.43762	0.6
217.08710	0.6
229.18109	24.6
281.04431	0.6
373.22293	6.3
391.23441	62.9
479.22855	1.2
505.26755	1.3
521.28979	0.7
523.15521	2.5
523.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65049	0.9
59.01385	100.0
70.21217	0.9
71.64342	0.8
77.63205	1.2
78.95903	4.8
131.48166	0.9
150.74600	1.1
152.99619	4.3
172.52997	1.4
187.09711	1.4
199.13503	1.1
204.87599	1.1
219.99680	1.0
310.91757	1.1
331.34421	1.1
523.29700	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15029	1.6
59.01102	2.7
59.01385	65.0
60.33423	1.7
61.98823	2.3
71.01382	21.8
73.02938	14.0
77.83302	1.9
78.19395	2.0
78.95889	2.5
83.01397	7.4
85.02953	11.7
86.74477	1.7
89.02467	3.1
94.90520	1.8
96.45581	1.9
99.00880	2.6
101.02452	20.4
113.01717	1.6
113.02441	16.7
125.02449	2.0
152.99565	7.3
161.04544	3.9
195.13855	15.3
196.88651	1.9
222.16750	2.1
236.20448	1.7
277.18494	1.7
277.21729	10.7
295.22845	35.6
299.20227	19.2
313.21808	3.0
319.22787	100.0
407.58566	1.9
463.27063	79.2
481.28073	35.4
523.28125	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03463	1.3
59.01384	100.0
61.97144	1.3
71.01382	21.1
73.02950	11.4
73.42231	1.1
77.76910	1.2
83.01392	2.7
84.42337	1.3
85.02936	17.4
85.28646	1.3
87.44273	1.3
95.01357	1.6
99.00871	2.1
101.02439	30.5
113.02448	11.7
125.02409	2.6
159.49799	1.3
161.04550	2.4
192.88098	2.0
234.02649	1.4
319.22888	5.9
463.26971	11.1
481.28119	52.0
523.29285	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.292
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.32295	0.6
59.01385	100.0
62.16077	0.5
62.49125	0.5
63.16186	0.5
71.01371	10.0
73.02945	7.7
83.01389	1.2
85.02929	1.4
89.02441	7.6
95.01386	0.8
96.20203	0.6
98.92188	0.6
101.02434	7.6
113.02447	5.9
115.17373	0.5
119.03484	3.3
161.04572	1.5
189.68521	0.7
209.45941	0.6
226.78423	0.7
227.91664	0.6
280.22098	0.7
290.64566	0.8
290.68829	0.6
319.22916	0.7
463.27179	4.7
481.28238	2.7
523.29156	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70171	0.9
56.92962	1.0
58.23222	1.1
58.93947	1.2
59.01381	100.0
65.14097	1.2
66.77047	1.1
71.01384	5.7
73.02959	2.5
85.02939	1.6
86.32784	1.2
89.02438	2.1
92.23065	2.0
101.02438	5.9
113.02451	5.1
177.35832	1.2
223.63692	1.3
305.83209	1.2
308.07520	1.3
330.56467	1.2
398.68253	1.3
463.27179	8.7
523.28925	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01394	2.5
65.62571	0.4
71.01379	0.9
72.99299	0.5
75.00871	5.9
80.67385	0.5
85.02950	2.4
97.02944	0.6
99.00896	3.7
129.01918	2.4
147.02995	8.6
147.35966	0.5
158.45819	0.5
241.24707	0.5
275.19952	0.7
277.21750	100.0
446.01187	0.7
453.43097	0.5
523.29156	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3048
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
50.82328	0.4
77.87918	0.4
78.95896	5.2
98.54235	0.4
116.92858	0.5
120.90185	0.4
121.53864	0.5
152.99582	10.0
171.00655	1.8
180.22644	0.4
186.29242	0.5
191.84612	0.4
245.04491	0.8
295.26437	100.0
493.22055	0.5
523.17749	2.3
523.30499	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12171	1.1
66.57873	1.1
78.93047	1.2
78.95901	8.8
102.11803	1.4
102.68737	1.3
111.08109	1.5
125.09668	1.7
148.88936	1.4
152.99615	13.0
188.81071	1.7
196.89478	1.4
260.97977	1.5
293.21204	2.0
295.26440	100.0
295.73386	1.4
523.18713	1.4
523.30536	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
61.83614	5.1
65.91361	4.1
69.13840	4.0
74.74705	4.9
76.16527	4.5
84.38379	4.4
92.23114	6.1
96.08763	4.7
96.95991	11.9
102.53440	5.3
197.60173	5.1
204.01132	4.7
310.78629	5.0
404.28098	5.3
423.75754	5.0
453.15054	6.4
487.34296	100.0
523.28241	23.3
523.31818	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
59.08556	0.5
60.26344	0.5
70.54248	0.5
71.01373	1.3
73.49458	0.5
85.02966	1.3
88.05383	0.6
91.55642	0.5
101.02463	0.9
108.26798	0.5
142.34862	0.6
160.03024	0.5
161.04570	0.8
164.51273	0.5
183.13940	0.7
263.11426	0.9
277.21756	100.0
313.09116	0.5
325.73276	0.6
372.68555	0.6
397.43954	0.5
523.36249	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24573	0.6
58.21563	0.5
59.01103	0.4
59.01384	5.8
60.68879	0.5
71.01376	3.2
73.02943	0.7
78.95910	3.9
83.46510	0.5
85.02959	1.0
89.02448	1.4
100.07034	0.6
101.02434	3.5
113.02441	2.4
116.71127	0.6
152.99619	11.3
161.04533	0.6
206.10806	0.6
263.11417	5.1
275.38773	0.6
277.21753	100.0
378.50235	0.7
435.25024	1.0
523.26770	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3282
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
59.01370	1.6
59.84594	1.4
77.84548	1.2
82.56304	1.1
97.64956	1.2
149.09708	1.7
150.06819	9.4
153.09181	2.9
155.10715	2.4
162.06854	30.6
163.07652	8.0
165.09201	1.3
176.08340	2.2
177.09180	29.8
258.16281	1.6
273.18576	10.5
324.25937	1.4
345.22815	39.4
393.66592	1.5
444.28848	1.9
505.31650	21.4
523.26489	5.1
523.32843	100.0
543.71924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45050	1.0
58.50039	1.2
65.37400	1.1
65.71539	1.3
72.54192	1.0
92.07666	1.5
95.47347	1.3
97.06572	8.9
100.47551	1.1
109.84893	1.2
123.08173	2.8
125.09713	100.0
169.08691	2.9
187.09761	41.3
206.01888	1.3
243.12366	6.0
261.13437	13.8
279.23312	65.6
386.46295	1.3
491.53949	1.3
523.36456	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3646
Annotation	Concentricol B
Peak:m/z	Relative Intensity
54.34600	0.9
57.03443	1.8
63.16888	1.0
67.10800	0.9
97.06560	8.8
123.08138	4.1
125.09714	100.0
148.89438	1.1
162.56857	1.2
169.08730	2.6
187.09761	41.2
243.12350	10.6
261.13510	13.0
279.23325	69.1
459.21005	1.5
486.43234	1.2
523.36414	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02608	2.3
57.43801	2.2
57.61747	2.3
58.08987	2.3
59.51458	2.3
61.98818	2.6
65.95213	2.2
80.47332	2.7
91.99047	2.9
94.86678	2.3
97.06586	2.9
122.09541	2.7
123.08166	2.9
125.08830	4.4
125.09711	100.0
187.09726	39.8
243.12355	6.4
261.13388	5.1
277.93488	2.8
279.23294	65.4
331.40796	3.0
370.12411	3.6
458.04553	3.4
523.36365	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03920	2.7
85.82507	3.0
94.55795	3.3
113.22225	3.3
116.01750	3.5
124.81870	4.2
136.34435	3.0
150.17442	2.9
209.40207	3.5
253.21762	100.0
264.83109	3.2
269.21191	44.2
277.14676	3.4
287.22357	7.8
299.73776	3.1
508.23093	3.6
523.43872	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88306	0.4
54.55016	0.5
96.01232	0.5
96.25788	0.5
142.82735	0.5
176.90747	0.5
180.12112	0.5
199.13371	1.1
251.20139	3.6
253.21747	100.0
269.21246	49.0
269.23706	1.0
287.22327	12.7
483.98145	0.6
523.43719	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28845	3.3
55.88506	3.3
64.20605	3.4
68.78928	3.5
101.91908	3.9
133.80051	3.5
137.28708	3.8
200.13809	3.6
244.03891	4.6
253.21599	6.6
269.21201	100.0
271.22855	19.7
323.14575	4.5
523.43683	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73178	0.5
72.00897	0.8
72.99351	0.6
77.87852	0.5
78.95930	1.3
84.92051	0.6
87.05177	0.6
87.65171	0.5
94.84026	0.6
96.96957	6.7
101.02441	8.2
113.21694	0.6
127.96500	0.6
142.23381	0.6
144.08228	1.2
147.04533	8.7
149.05945	0.7
164.07184	100.0
166.92696	0.7
206.08255	3.1
212.17082	0.6
213.19067	0.6
219.50879	0.6
236.09294	13.6
278.10568	2.0
295.95947	0.7
304.39081	0.6
326.12521	16.2
424.65295	0.6
524.15594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00903	1.4
73.02953	1.2
74.39179	0.6
78.95904	4.6
96.96016	1.6
96.96953	12.4
101.02436	8.6
144.08151	0.9
147.04523	10.6
164.07175	100.0
167.77017	0.7
170.26587	0.7
206.08159	1.2
228.03259	0.9
236.09314	13.8
243.53160	0.8
263.80368	0.7
266.10291	0.8
326.12439	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61862	2.5
59.01365	2.7
95.06691	2.6
122.95979	3.0
123.04547	5.3
134.03749	14.2
135.04514	15.4
136.01631	4.3
147.04524	4.4
148.05287	14.1
149.04742	3.2
149.06096	5.8
150.03252	25.7
151.02971	2.9
151.03986	24.1
152.07202	5.8
165.05574	28.8
175.03978	7.3
176.03508	3.2
178.05067	22.5
180.06706	5.0
182.42050	3.2
184.65190	3.0
191.07199	4.2
202.05069	3.3
204.06621	4.0
257.08096	3.5
281.56412	2.9
282.09079	4.2
283.09756	15.9
312.09598	4.0
313.10678	3.1
320.05554	3.2
326.10492	3.1
328.11951	28.3
331.07697	3.0
332.74429	3.0
342.13495	13.7
352.11905	3.2
354.13364	3.4
384.13879	3.2
434.53314	3.2
476.17267	14.9
488.16663	6.5
506.18268	67.8
524.19287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23949	0.9
59.01364	2.0
61.98827	2.1
71.01393	1.6
73.40279	1.0
80.37238	1.0
85.02937	1.6
93.03448	1.3
101.02444	1.2
108.05737	1.1
110.06114	2.0
115.04011	1.5
117.03432	2.0
119.05022	89.9
120.05351	37.9
120.06150	2.2
122.06074	1.9
134.06139	2.6
136.07631	1.4
145.02950	38.4
146.03273	19.4
163.04010	94.8
164.04347	51.1
180.06671	19.7
180.31079	1.2
187.06367	1.1
188.07210	5.0
232.29105	1.1
239.11925	6.1
239.28180	1.2
241.13518	1.4
249.56398	1.2
259.74918	1.2
265.09885	5.5
266.10629	2.3
267.11459	6.0
279.07791	4.2
279.11465	4.5
280.12164	6.9
281.09476	1.7
289.09885	1.2
293.09402	6.7
307.10837	15.1
308.11682	39.7
311.10370	1.9
334.67700	1.2
340.10687	7.9
352.10608	2.1
418.17767	1.5
425.14566	23.6
426.14938	100.0
430.18002	7.8
448.18823	9.2
492.17780	42.7
506.19519	1.4
524.20343	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01053	1.1
52.31490	0.9
53.33870	1.3
53.66938	0.9
56.72034	1.0
61.98833	100.0
66.75526	1.2
67.48181	1.1
78.95901	5.4
101.02435	1.5
117.08056	1.1
122.09955	1.3
219.60167	1.2
244.44855	1.2
327.83145	1.6
396.68887	1.2
421.92920	1.2
507.06158	1.3
524.24170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32696	1.8
61.98833	2.6
75.85181	1.6
78.17933	1.7
79.93082	1.6
99.00857	2.3
101.01733	1.8
137.12959	1.8
158.69431	1.7
174.58324	1.8
216.05144	100.0
244.70360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61092	7.1
59.01376	14.3
61.98855	8.1
65.30242	5.5
71.03102	6.4
74.08188	6.6
85.67368	6.5
95.07452	7.2
136.07603	8.2
138.83136	7.6
143.40683	7.4
242.10188	10.5
283.10779	11.5
284.11200	36.9
285.11383	29.1
481.28140	47.9
492.16745	16.1
524.19299	100.0
524.27734	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3
Annotation	L-a-Lysophosphatidylserine
Peak:m/z	Relative Intensity
66.34702	0.5
67.94972	0.4
78.08232	0.5
78.95903	35.9
81.26662	0.5
96.96957	3.1
150.98006	1.2
152.99585	100.0
171.00662	2.9
178.88524	0.6
180.90083	0.6
196.89511	8.6
197.89517	4.8
244.15633	0.6
255.23317	6.8
283.26486	2.7
437.26794	23.9
524.18677	3.9
524.30048	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25732	2.8
53.03197	2.6
59.01371	5.0
90.06838	3.4
96.04542	22.1
107.05089	3.7
112.03979	3.3
114.94096	3.4
122.06138	3.8
124.07690	13.6
133.80580	3.0
140.03470	4.3
140.07187	4.8
150.05605	51.4
168.06668	59.2
212.05617	15.3
227.00224	2.9
255.82774	3.3
276.39960	2.8
293.28494	5.2
506.34851	15.8
524.35858	100.0
528.40442	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73610	1.5
59.01377	8.6
59.62138	1.4
62.46352	1.5
64.67587	1.7
66.03477	1.8
70.02972	2.8
92.22484	2.1
96.04552	29.3
96.81965	1.7
106.06602	3.6
108.04557	3.6
112.04036	2.0
114.49944	1.8
122.06099	7.7
123.07470	1.9
124.07670	14.0
124.29588	2.2
136.99706	1.8
140.03499	3.8
140.07170	13.7
140.35765	1.8
150.05609	55.9
158.08292	3.6
164.69690	1.6
165.85826	2.1
168.06656	48.1
169.42406	1.6
194.04533	3.4
212.05705	13.5
229.30920	1.9
231.62485	1.8
281.28531	2.3
293.28558	20.9
506.34885	29.1
524.36011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45057	0.9
56.62532	0.8
57.03442	1.7
59.01390	1.6
61.58944	0.9
85.02943	17.5
87.00874	23.7
111.00877	100.0
112.89806	1.0
129.01950	6.6
134.69843	1.2
173.00928	2.3
191.01997	92.8
197.04500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66981	0.7
57.35868	0.7
59.01375	1.7
59.25810	0.7
71.01357	0.9
80.79303	1.0
81.03461	4.4
81.19502	0.8
83.01352	0.9
83.05016	4.0
85.02903	0.8
93.03463	3.6
109.02942	1.9
111.04510	46.6
111.05276	1.6
119.05004	10.4
124.33072	1.0
125.57249	0.9
127.04006	100.0
135.89944	0.9
137.02406	7.7
143.78694	0.9
155.03506	67.1
163.04037	17.8
191.05626	3.4
199.02499	77.9
231.64417	0.9
325.09476	1.2
433.12610	0.9
525.12000	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15510	0.5
59.01392	0.9
75.00867	23.7
92.22487	0.8
101.02436	0.6
117.01923	0.7
121.04032	1.0
129.01933	7.4
147.02969	2.9
165.01816	3.1
165.04050	100.0
179.03468	0.6
181.05128	0.6
188.98726	0.8
197.04472	1.2
286.09039	0.6
313.74905	0.6
359.09973	0.9
471.06064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
75.00871	23.4
76.71886	0.7
81.77885	0.7
87.00885	0.8
96.96928	0.9
106.19260	0.6
110.02840	0.7
129.01938	8.5
147.02998	4.1
165.04047	100.0
193.03368	0.8
197.04623	0.8
344.39182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09352	0.4
54.03247	0.4
54.11567	0.4
56.05786	0.4
59.01387	0.6
61.98832	100.0
65.62439	0.5
69.00137	0.4
70.55538	0.5
71.01366	0.6
75.00874	0.6
89.28024	0.5
137.02454	0.5
143.10068	0.6
145.02968	1.8
163.03912	0.6
183.51257	0.5
190.02750	0.5
366.53461	0.6
525.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01378	7.2
66.53033	1.1
71.01379	8.9
73.02931	3.0
76.32834	1.3
85.02946	46.1
89.02435	3.0
99.00864	5.2
101.02426	8.1
113.02404	2.0
119.05017	85.6
133.06586	1.3
143.03471	2.0
145.02919	1.7
161.04573	2.3
163.04008	100.0
163.96178	1.2
205.05066	2.1
217.08719	57.3
261.07678	28.8
263.11417	6.6
325.70416	1.4
359.91663	1.2
489.16486	1.9
525.21832	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01391	8.0
71.01369	6.6
73.02931	1.3
85.02944	45.7
89.02435	3.7
91.85462	0.5
101.02426	6.2
113.02435	3.9
119.05019	82.8
119.99940	0.6
125.82093	0.6
145.02975	6.2
145.04031	0.8
154.20331	0.6
161.04579	2.7
163.04012	100.0
173.09647	2.1
176.19533	0.6
182.39493	0.6
209.86792	0.7
217.08701	60.1
234.88846	0.6
261.07690	30.5
263.11432	7.7
312.26630	0.6
409.14871	1.5
464.57291	0.6
493.88113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40202	0.8
57.03446	1.3
59.01382	7.9
60.51570	0.8
71.01369	8.8
73.02965	1.2
73.25385	1.1
73.84404	0.8
85.02940	42.1
89.02435	4.7
98.32689	1.0
101.02441	4.1
101.06403	1.1
109.70697	0.9
113.02435	4.5
119.05019	75.9
145.02943	2.3
161.04460	1.2
163.04010	100.0
168.13229	1.0
173.09546	1.2
217.08705	54.4
261.07672	26.5
263.11392	7.4
351.99481	1.3
462.63513	1.2
468.06631	1.4
480.88272	1.3
525.19189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39002	0.6
59.01386	5.5
71.01368	3.8
73.02910	0.7
85.02946	1.1
89.02428	5.1
91.79441	0.5
93.03436	0.7
99.00874	3.8
101.02421	4.0
113.02426	5.0
117.03470	0.9
119.05021	62.9
119.99532	0.7
121.39856	0.6
145.02954	17.5
163.04018	100.0
167.21260	0.6
191.05664	1.1
192.46010	0.6
206.63081	0.7
217.42926	0.6
238.77527	0.7
241.79820	0.7
244.63301	0.8
410.93228	0.8
426.92685	0.7
523.04095	0.7
525.19659	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16055	0.4
56.11032	0.5
59.01381	7.2
71.01364	3.4
73.02918	0.7
89.02444	3.7
94.47000	0.6
97.60845	0.6
99.00857	3.8
101.02412	1.1
106.82670	0.6
113.02412	2.9
117.03430	1.2
119.05022	63.8
133.92281	0.7
135.04520	0.7
145.02960	21.8
157.08696	2.5
163.04015	100.0
164.04799	6.0
175.00298	1.3
176.64522	0.7
187.85765	0.6
190.02739	20.5
191.05606	1.5
205.05081	26.9
223.06122	1.5
327.21793	2.7
525.19727	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06970	0.8
58.49850	0.7
59.01377	5.7
65.67477	0.8
68.51260	0.8
71.01371	1.8
85.02942	2.0
89.02445	1.8
100.88480	0.8
101.02437	4.8
113.02464	1.3
125.63385	0.8
149.02435	5.6
157.08684	3.8
163.04031	1.3
164.04813	13.6
175.00371	6.4
179.07159	1.2
190.01012	1.9
190.02730	58.3
205.05077	97.0
209.04524	1.6
223.06111	13.0
481.22592	1.1
487.99097	1.1
496.17105	0.9
525.19800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2119
Annotation	7beta,8beta-Epoxyroridin H
Peak:m/z	Relative Intensity
51.82288	1.2
53.90369	1.6
54.77802	1.8
59.01389	10.0
72.99297	1.8
78.95905	100.0
96.95998	2.6
96.96951	1.8
97.02959	1.5
111.08142	2.2
113.05340	1.6
122.41867	1.5
125.09721	10.1
139.11269	7.5
141.31673	1.6
144.35773	1.9
152.99553	20.3
173.08243	3.0
183.10246	6.9
187.09776	14.7
193.05016	2.6
197.04630	2.3
201.11346	22.8
267.19693	2.5
507.20364	3.2
525.21124	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.7
65.61839	0.5
71.01378	19.5
72.99289	0.8
73.02543	1.1
73.02940	22.3
78.95903	2.5
83.01376	1.9
85.02949	6.1
87.00848	4.9
87.04482	1.2
89.02438	30.9
97.02930	0.8
99.00874	45.8
101.02442	24.2
103.04006	7.9
113.02441	8.2
115.04010	8.4
119.03503	8.0
119.92055	0.7
125.02420	3.7
127.03973	0.8
131.03491	12.7
143.03510	13.5
145.05055	2.6
149.04549	6.0
161.04581	1.1
163.06123	10.1
171.00632	1.4
191.05641	7.9
205.07187	9.7
233.06677	0.8
261.08212	0.6
289.09314	1.2
307.10425	5.3
345.83865	0.6
358.25287	0.6
393.17621	4.5
394.52090	0.7
459.55389	0.7
525.21930	100.0
528.65350	0.6
533.41742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
59.01382	8.1
60.42035	0.9
71.01373	13.4
71.05029	1.7
73.02945	10.5
83.01373	1.4
85.02946	13.6
89.02445	7.3
92.96960	1.1
97.02943	22.9
99.00861	4.3
101.02437	24.7
101.63963	1.0
113.02443	10.3
115.04002	97.9
126.80911	1.0
145.02919	1.4
148.56998	1.1
159.02972	1.7
161.04547	10.2
251.05226	1.1
277.16595	17.1
392.89645	1.0
409.20840	100.0
525.25073	1.8
540.65924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18382	16.1
59.28975	21.4
61.12199	15.9
69.11884	17.7
78.70809	19.0
93.52835	19.0
124.07627	32.3
191.07977	19.0
279.23157	66.0
297.23303	21.3
340.89136	22.5
463.28503	22.7
489.35849	32.8
503.20731	22.7
525.35773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.4
66.95493	2.1
70.57335	2.2
71.01388	2.9
72.99308	2.7
74.99090	10.4
80.02678	20.0
81.03455	3.5
89.02454	4.9
92.23092	4.5
101.02426	10.9
107.05022	2.7
109.06578	82.1
113.02440	2.9
134.03734	2.4
136.99147	10.9
140.17662	2.3
153.05569	100.0
179.31465	2.5
190.02681	11.5
201.11374	3.0
205.05013	10.7
321.15073	2.9
381.03168	2.9
427.16043	3.5
481.23618	3.1
525.19580	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2841
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
50.48104	1.1
51.85114	1.1
65.69380	1.4
76.72054	1.4
78.95899	7.1
121.37321	1.4
136.00661	1.5
152.99596	38.9
155.10733	9.2
171.10307	10.3
227.03146	2.9
279.23392	24.6
292.30582	1.5
297.24384	97.7
311.50671	1.7
318.14615	1.8
320.48801	1.6
491.97458	1.9
525.28345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2846
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
53.63129	9.7
57.15089	10.5
63.04054	12.9
78.95903	20.8
103.11212	15.3
138.08629	12.6
152.99579	25.9
162.69946	12.5
196.17638	12.5
204.61308	13.0
230.01814	13.6
251.70203	13.4
313.84784	12.9
475.50589	16.0
525.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3077
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
58.48538	0.9
59.01381	100.0
61.98815	1.0
71.01376	7.2
73.02972	1.3
84.54938	1.0
85.02942	2.6
101.02428	7.5
113.02402	5.3
173.04518	2.7
190.65419	1.2
191.05687	1.6
268.63113	1.3
367.10339	2.2
454.01849	1.2
483.29529	6.2
525.30505	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06240	0.7
55.32555	0.7
57.03448	1.1
58.82500	0.7
59.01389	2.6
60.04006	0.6
60.55750	0.7
70.12128	0.7
70.68052	0.8
75.00844	3.6
85.02955	1.2
86.99207	0.9
97.20206	0.8
99.00873	1.2
107.43715	0.8
129.01935	1.8
138.50214	0.9
147.02991	4.6
279.23318	100.0
360.56058	0.9
525.30695	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3077
Annotation	Simplexin H
Peak:m/z	Relative Intensity
52.89275	0.5
57.03434	0.6
59.01384	100.0
68.27843	0.6
68.65914	0.5
71.01379	9.0
73.02937	3.9
76.19106	0.6
83.01372	0.8
85.02944	4.6
85.22500	0.5
89.02434	4.7
93.90852	0.6
101.02427	8.2
113.02490	5.8
113.03159	1.0
146.76593	0.6
159.02888	0.6
161.04585	1.5
179.05598	1.0
184.39865	0.7
295.84415	0.7
309.53705	0.7
363.25482	0.7
465.28726	20.1
479.93896	0.7
483.29834	5.2
525.30920	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3075
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.86289	1.1
59.01384	75.9
63.61289	1.3
71.01382	24.8
73.02948	10.5
83.01383	2.1
85.02949	14.1
89.02453	2.7
95.01377	1.8
99.00853	2.2
101.02443	23.9
106.44643	1.6
109.17415	1.3
113.02413	15.4
113.02980	1.1
128.16295	1.3
140.70892	1.4
146.34740	1.4
161.04539	12.7
161.77942	1.5
184.91780	1.5
229.96194	1.3
303.23215	2.7
313.05450	1.6
382.13733	1.7
465.28650	100.0
525.30963	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3075
Annotation	Simplexin H
Peak:m/z	Relative Intensity
52.23270	0.8
54.51897	0.8
59.01383	100.0
60.14496	0.9
62.95301	1.0
71.01380	9.1
72.65522	1.0
73.02551	1.1
73.02943	4.1
78.95898	1.4
82.54027	1.0
83.04941	0.9
85.02944	5.6
92.16264	1.0
99.00890	1.1
101.02416	10.3
113.02448	4.3
119.05034	1.2
137.02434	1.7
155.46611	1.1
161.04547	1.3
231.51515	1.0
273.59650	0.9
327.21799	1.4
355.74716	1.1
382.18280	1.0
465.28726	10.5
472.06006	1.0
483.29593	9.2
525.24628	2.5
525.30969	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3075
Annotation	Simplexin H
Peak:m/z	Relative Intensity
59.01385	100.0
60.18153	1.5
64.18256	1.4
68.72354	1.7
71.01382	11.1
73.02945	4.3
83.01378	1.9
85.02942	7.1
89.02435	1.9
98.43890	1.8
101.02440	10.3
103.95782	1.9
113.02419	7.8
171.10416	2.3
203.95309	1.9
213.79413	2.1
321.24088	2.3
331.76489	2.0
465.28528	15.0
466.07544	1.9
483.29669	12.3
525.31012	16.1
536.92242	1.8
538.81921	2.3
549.61377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
63.29243	0.7
66.21557	0.7
71.01382	1.9
73.01424	0.7
73.02943	0.8
85.02956	1.3
89.02449	1.6
98.21973	0.8
101.02448	1.7
104.03745	0.7
117.36723	0.7
117.80486	0.7
148.29997	0.8
263.11392	4.2
279.23322	100.0
311.29776	1.0
525.32294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89302	1.0
59.01381	2.6
69.93017	1.1
71.01387	2.3
75.78281	1.1
76.39906	1.1
97.06598	5.1
111.08147	5.6
125.09716	74.3
127.36861	1.3
134.03708	5.7
149.06119	1.3
150.03204	7.1
165.05591	10.4
167.11914	18.7
172.09700	2.0
178.34785	1.3
179.07147	1.4
183.12001	1.4
183.45334	1.2
185.12947	5.5
186.09753	2.6
186.11363	62.2
193.05020	7.3
195.06612	2.0
281.04498	2.2
301.48706	1.3
322.19986	2.5
325.21429	1.8
338.24588	1.4
339.22888	34.8
345.17105	1.5
405.33917	1.5
525.19550	13.4
525.36639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84769	1.2
57.03434	1.9
64.12184	1.3
67.56484	1.2
76.11949	1.3
79.69819	1.2
89.22839	1.3
97.06587	10.0
102.67130	1.5
116.59112	1.5
123.08144	2.8
125.09714	100.0
169.08630	2.5
187.09782	43.1
195.46416	1.4
228.81342	1.7
243.12366	8.0
261.13495	15.1
281.24893	72.9
385.01050	1.7
410.34970	1.6
438.31799	1.7
525.38043	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68347	2.5
65.44783	2.6
75.05964	3.1
81.90536	2.7
82.18210	3.1
82.22317	2.7
97.06551	6.2
123.08138	3.4
125.09713	100.0
169.08688	5.3
187.09782	38.4
228.10286	3.9
243.12527	5.8
261.13559	4.9
264.63565	3.2
281.24884	79.5
301.39282	3.0
525.37994	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49325	0.8
55.40778	1.0
55.93184	0.8
58.24180	1.1
59.01382	100.0
60.85088	1.1
78.95912	8.6
80.73839	0.9
83.14268	1.0
84.60620	1.0
93.92727	1.0
96.96960	1.3
114.50272	1.1
116.09037	1.3
120.97391	1.2
125.09705	2.1
126.28384	1.1
135.36134	1.2
152.99580	19.1
153.05455	1.1
186.11334	11.2
189.97017	1.2
196.89433	2.0
269.38907	1.2
278.54294	1.2
363.47330	1.2
438.27084	4.3
465.37119	8.6
525.18176	1.4
525.30463	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04876	2.0
72.48690	2.1
89.96773	2.5
191.12431	2.1
225.22250	2.4
253.21764	15.2
271.22803	100.0
357.73834	2.2
378.46841	2.9
474.25006	3.0
525.45361	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15557	0.8
83.81579	0.9
83.99944	1.0
99.56137	1.0
102.54721	0.9
123.14359	1.0
137.20622	1.0
148.01639	4.6
161.99585	1.9
163.00349	2.5
176.01163	29.9
212.15060	1.2
229.35477	1.0
249.01576	1.1
249.04124	1.1
262.05096	1.8
267.02789	1.6
277.04068	1.1
278.04639	5.1
279.05267	1.2
280.00067	5.1
295.02444	18.9
306.04050	13.8
307.05051	7.6
310.04904	4.7
334.03543	6.2
335.04413	4.8
351.05814	1.2
352.06241	2.6
356.05762	1.2
366.07718	2.5
369.01553	1.1
380.05621	8.0
382.03546	1.5
394.03302	1.8
396.05151	2.3
408.05215	5.4
410.02908	4.0
424.04834	2.0
428.57233	1.2
452.04181	6.7
526.07874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67078	0.7
62.31123	0.8
66.16444	1.0
73.20431	0.9
98.74792	0.9
106.19246	0.8
111.00884	1.4
118.86198	0.9
177.67723	1.0
293.07013	21.2
294.07745	55.2
322.07217	100.0
335.07199	1.0
524.39063	1.1
526.14026	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04622	0.4
51.79737	0.3
51.92554	0.3
53.38781	0.3
56.10883	0.3
57.57568	0.3
58.47243	0.4
64.16709	0.3
85.90425	0.5
89.75597	0.4
92.11482	0.4
101.28284	0.3
132.43468	0.4
163.25012	0.4
217.39105	0.4
266.08438	0.6
278.08176	0.5
292.06110	3.3
293.06982	21.6
294.07733	10.1
307.04840	1.8
308.15521	0.5
320.05728	0.7
321.06464	8.0
322.07248	100.0
326.80008	0.4
394.56958	0.4
526.13898	2.6
552.27478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
69.45835	0.7
83.26440	0.7
85.02950	16.5
87.00872	31.1
111.00875	100.0
116.25880	0.9
116.26714	0.8
129.01939	7.6
173.00938	4.4
191.01993	81.6
191.05620	1.6
405.79077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
58.65414	0.7
59.01368	0.7
67.18413	0.7
68.66664	0.6
72.99300	1.0
74.30718	0.7
74.80107	0.6
80.40909	0.7
85.02943	17.4
87.00871	21.6
94.11070	0.7
111.00877	100.0
117.01929	1.4
126.94559	0.8
129.01947	8.3
130.99931	1.1
138.32034	0.7
145.51604	0.8
154.99866	4.6
173.00919	10.8
191.02000	89.3
191.05588	5.5
362.05655	1.0
526.17065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01659	1.3
66.31373	1.3
72.99307	81.8
73.79840	1.4
83.56287	1.5
85.02932	2.6
86.01324	2.1
87.00864	4.0
92.22697	2.4
94.07164	1.8
97.34946	1.7
111.00887	16.9
123.04494	20.6
129.22101	1.6
135.04552	30.1
151.04050	1.7
166.05122	21.5
179.01929	3.1
179.03503	73.8
179.05023	3.5
184.06213	3.6
191.02000	13.3
197.04581	100.0
328.10422	2.9
359.09933	17.6
526.15778	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13059	1.2
59.01370	2.3
68.59026	1.3
69.24879	1.3
81.67790	1.3
82.02982	11.6
85.02953	3.4
85.51891	1.3
89.71111	1.7
90.44530	1.5
97.02911	2.3
100.04039	21.6
101.02419	1.8
115.04027	14.6
117.37561	1.5
119.05009	16.6
128.03542	19.2
129.01941	8.8
207.21007	1.8
220.09824	62.6
248.09315	27.7
266.10339	61.6
266.99759	1.6
298.12543	1.5
428.15561	15.3
482.16849	1.8
526.19354	100.0
526.27783	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2809
Annotation	Doramapimod
Peak:m/z	Relative Intensity
76.17817	1.5
135.88870	1.7
216.03094	2.4
242.04633	6.3
243.05359	2.3
256.06110	6.2
270.07663	2.2
271.22565	1.5
284.09338	13.7
326.17563	2.4
332.11871	1.6
480.27463	3.3
498.28430	7.1
526.28101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48009	0.6
54.68350	0.6
55.99339	0.7
58.09792	0.7
101.30215	0.7
102.62198	0.7
114.64445	0.8
121.50169	0.8
128.07175	52.4
136.47404	0.8
309.22540	1.0
315.70609	0.9
337.21777	100.0
342.14874	0.9
526.30005	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49243	0.8
81.83943	0.9
85.58510	0.8
88.60278	1.0
96.78808	0.8
97.06572	2.1
123.08191	1.4
125.09716	100.0
142.12315	1.7
152.10847	1.0
157.68694	0.9
169.08728	3.9
172.09914	0.9
186.11368	53.3
211.55351	0.9
244.63319	0.9
278.21396	1.5
311.93808	1.1
321.21811	1.2
322.20105	7.9
339.22903	51.8
353.59787	1.0
526.35022	99.5
534.44366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74404	0.6
52.90503	0.5
53.77162	0.5
56.31886	0.7
59.01381	3.8
61.98837	1.4
71.01335	0.6
76.22406	0.6
85.06483	0.6
93.03451	19.3
95.58054	0.6
96.99281	3.1
100.66030	0.6
111.04493	6.7
119.04988	7.0
127.04010	14.4
129.29457	0.7
131.05013	2.8
133.02933	3.1
137.02464	2.6
143.05014	16.0
145.02933	0.7
155.03502	8.7
163.04022	8.6
171.04472	1.6
171.17099	0.6
190.02660	1.3
198.73126	0.7
199.02451	9.4
205.05083	2.8
209.11778	0.9
211.07642	4.1
221.09715	0.8
235.07480	0.9
237.09158	5.3
247.07570	0.7
265.08737	26.6
283.09842	1.0
309.07706	5.4
327.08777	100.0
365.16245	1.4
375.74048	0.8
527.11780	1.5
527.21344	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26959	0.7
59.01380	1.9
59.10179	0.6
67.41168	0.7
68.09705	0.7
71.01374	1.3
72.99300	18.1
89.02399	1.0
92.22543	1.6
99.94147	0.9
101.02438	3.3
109.02929	0.9
120.99263	0.8
122.03783	0.9
122.20907	0.8
123.04517	31.5
135.04518	5.4
139.04039	1.4
149.02477	1.4
151.03937	1.0
161.04626	1.2
165.01924	7.5
166.01801	1.1
167.03485	100.0
179.03508	15.7
183.03023	3.9
197.04556	40.7
222.17938	0.8
223.28842	0.8
263.11469	4.3
359.09869	41.8
511.85394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11615	0.7
50.20980	0.6
51.84877	0.7
69.09216	0.8
72.99307	15.2
76.19943	0.8
118.76950	0.9
123.04514	25.9
135.04544	4.5
139.03967	1.2
149.02434	1.4
149.24557	0.9
165.01920	8.1
167.03494	100.0
167.19839	1.0
179.03502	15.7
183.02969	4.2
193.09090	0.9
193.87219	0.9
197.04558	39.7
213.71350	1.1
232.85364	1.0
258.84378	1.0
318.71808	0.9
323.85257	1.0
359.09891	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39418	0.7
52.68852	0.7
72.99303	58.9
83.87970	0.8
96.15206	0.8
122.03712	8.5
122.11975	0.8
123.04510	26.8
127.02306	0.9
128.92682	1.1
130.20531	0.9
135.04530	31.6
151.03999	1.9
165.01981	6.0
167.03473	5.4
169.27361	0.9
179.03494	52.7
191.05554	1.6
197.04555	100.0
329.08774	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
61.98824	2.0
71.01374	12.2
73.10736	1.1
75.00862	6.2
75.76626	1.0
85.02947	10.1
87.00867	5.4
89.02430	4.7
93.99493	1.0
95.01362	2.2
99.00864	2.4
103.00293	1.2
112.98548	1.3
113.02451	35.3
127.70377	1.1
129.01898	1.1
135.04515	14.8
161.02449	31.9
161.06071	4.7
163.04065	1.2
179.03481	17.3
205.05096	14.7
207.05086	1.5
225.35744	1.3
249.06236	10.9
253.07051	1.9
267.07236	94.7
429.10461	24.7
441.13947	2.8
527.14050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54461	1.7
59.01377	2.8
59.94440	1.6
71.01373	2.1
72.17076	1.8
72.99300	50.7
73.68895	2.0
83.43327	1.6
92.22968	1.9
101.02434	3.6
101.21246	2.0
113.02428	2.1
117.01923	2.0
122.03735	40.7
123.04515	44.2
131.04630	8.0
135.04521	36.6
137.83147	1.8
151.03995	8.2
157.94299	1.8
164.57104	2.0
165.05594	2.4
167.03493	2.9
179.03516	47.0
191.05629	4.0
193.01408	2.4
195.05118	4.1
197.04565	100.0
303.08746	8.8
324.42032	1.9
329.08798	34.5
347.07623	2.7
361.48975	2.0
383.86417	2.4
477.61386	2.0
527.16028	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98838	7.8
71.01392	0.9
72.98897	1.3
72.99304	36.7
72.99696	1.8
78.95916	1.0
84.06495	0.9
96.86935	0.9
96.96961	5.3
123.04527	17.7
134.03723	0.9
135.04524	11.4
151.03984	5.1
153.01941	10.6
154.02710	4.8
155.03505	3.9
173.08110	0.9
179.03508	41.5
197.04572	100.0
211.06210	1.1
239.05598	1.0
262.24283	0.9
317.08646	1.7
334.61487	1.1
359.09912	1.9
365.08765	9.1
513.44116	1.2
527.13934	23.4
527.21649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41014	0.7
59.01379	2.1
61.32183	0.7
66.33689	0.8
71.01392	3.2
71.26431	0.9
72.99304	52.5
73.02932	3.5
73.59801	0.9
85.02967	1.1
86.02443	0.9
89.02455	1.8
101.02438	4.9
109.02937	0.9
110.98528	1.7
113.02465	1.5
117.01916	2.1
122.03733	32.0
123.04518	34.4
131.04610	1.3
135.04527	34.5
135.05515	1.8
147.04535	1.2
149.02425	1.1
151.04002	4.0
161.04512	1.7
165.05527	3.7
167.03508	4.5
169.01433	1.2
176.18866	0.9
179.03513	47.1
185.02211	6.2
191.05643	1.9
195.05083	2.1
197.04567	100.0
198.04858	1.2
204.79851	0.9
211.63542	1.1
217.01434	0.9
241.53859	1.0
285.09909	1.2
297.45776	1.0
303.08572	1.3
329.08801	28.5
385.79214	0.9
504.96411	0.9
541.08929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08911	0.7
59.01376	4.9
61.98830	1.6
66.53040	0.7
71.01382	3.6
72.99306	38.8
87.00863	0.7
89.02424	1.7
92.22476	0.9
99.00854	1.0
101.02454	1.9
105.12167	0.8
113.02425	1.6
119.50782	0.8
123.04527	13.9
131.04620	1.3
135.04538	14.0
139.00374	1.2
140.01108	1.0
151.04022	5.4
153.01917	10.7
154.02711	4.5
155.03535	3.5
161.08957	0.9
173.76546	0.9
179.03502	43.2
197.04568	100.0
208.61040	0.8
211.06354	1.0
225.79482	0.9
239.05597	3.2
263.11346	1.6
359.09662	2.9
360.41684	0.8
365.08786	6.7
393.14615	1.0
527.14111	27.7
527.22498	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1567
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
59.01380	16.5
74.72750	1.5
79.68514	1.6
115.86742	1.6
160.84943	1.5
181.59721	1.7
184.05331	3.4
233.08253	2.0
307.06125	6.6
309.11349	2.8
319.76273	1.7
322.08548	23.1
336.09955	2.6
337.10852	98.7
349.10800	6.8
351.12500	11.0
352.13211	93.7
367.15472	23.0
381.09854	3.0
393.09830	11.1
396.12180	3.5
411.14529	7.2
423.14575	15.1
441.15814	8.0
483.16687	94.7
489.95660	2.0
527.15662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39733	0.2
54.30734	0.2
55.89230	0.3
56.35936	0.2
59.01378	0.7
70.69366	0.3
71.01379	0.3
78.95902	1.1
85.02950	2.3
87.00861	0.5
89.02438	0.3
93.03484	0.6
93.18205	0.3
96.96947	0.6
103.28165	0.3
110.98523	0.6
111.04571	0.4
127.03989	0.5
148.74472	0.3
173.04568	1.1
185.02197	0.6
191.05630	100.0
278.80066	0.3
516.07611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48756	0.7
53.39602	0.8
62.85972	0.9
72.99304	46.3
79.91779	1.0
92.23074	1.0
111.80814	1.0
123.04522	24.5
129.12767	0.9
135.04524	27.6
161.83389	1.0
179.03502	48.0
197.04568	100.0
206.54546	1.0
232.96754	0.9
331.07126	0.9
474.86658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02149	1.8
59.01382	100.0
59.55954	2.0
71.01391	3.6
89.58273	1.8
111.04527	2.0
113.02438	2.5
119.05020	2.7
133.06572	17.6
135.04533	3.1
139.07655	31.9
149.06096	2.5
151.07677	2.2
161.02391	3.1
163.04022	8.2
169.08566	2.3
181.08719	8.2
189.05620	2.0
195.06638	2.4
199.11304	2.2
202.81184	1.9
205.12369	7.5
210.08984	2.4
211.09811	12.1
217.12358	6.7
218.09982	2.7
243.10313	2.7
251.09802	2.0
261.11322	13.9
273.11325	2.8
279.12332	2.8
283.24103	2.1
291.87173	2.5
303.12402	7.8
321.13470	63.0
363.14532	10.5
429.14200	2.9
441.14075	3.6
527.17584	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
63.14977	0.6
68.33619	0.7
71.01371	0.9
74.99081	1.1
80.59610	0.6
83.01418	0.7
85.02909	1.0
87.39034	0.8
101.02422	1.3
128.51878	0.7
134.03769	8.6
136.99194	0.9
145.78932	0.7
149.06065	4.4
159.32758	0.7
160.01642	13.1
160.47986	0.7
161.04546	1.1
175.04004	100.0
193.05066	18.3
285.57074	0.8
383.40302	0.9
424.13889	1.0
426.28998	0.9
427.60480	0.8
429.56549	0.9
439.16168	16.1
527.17798	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.5
59.01380	100.0
65.77839	1.6
67.95473	1.5
71.01353	3.7
73.36034	1.4
77.33530	1.4
85.02931	2.2
101.02484	2.2
111.04532	3.0
113.02421	7.5
118.29630	1.9
119.05051	2.5
123.04567	2.2
133.06604	17.9
139.07655	36.9
145.35027	1.8
149.06068	7.2
151.07651	4.2
163.04018	3.7
168.07957	2.2
169.08684	3.2
181.08702	7.4
187.11197	3.6
189.05585	3.9
199.11279	2.8
205.12373	10.4
210.08989	8.0
211.09744	21.7
217.12296	2.6
231.10326	2.7
243.10277	1.8
261.11292	12.0
279.12454	7.5
285.11377	3.2
303.12305	8.1
321.13474	77.4
345.13309	3.1
363.14536	8.0
393.84100	2.6
423.17148	2.6
441.17874	2.6
483.18820	3.6
532.33936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
63.14977	0.6
68.33619	0.7
71.01371	0.9
74.99081	1.1
80.59610	0.6
83.01418	0.7
85.02909	1.0
87.39034	0.8
101.02422	1.3
128.51878	0.7
134.03769	8.6
136.99194	0.9
145.78932	0.7
149.06065	4.4
159.32758	0.7
160.01642	13.1
160.47986	0.7
161.04546	1.1
175.04004	100.0
193.05066	18.3
285.57074	0.8
383.40302	0.9
424.13889	1.0
426.28998	0.9
427.60480	0.8
429.56549	0.9
439.16168	16.1
527.17798	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.2
59.43300	0.8
71.01373	3.2
72.15979	0.7
75.91267	0.7
83.22001	0.8
87.00877	1.1
89.02429	1.8
96.96006	43.1
101.02418	1.2
102.96999	0.7
113.02431	1.2
115.04038	0.9
121.02940	1.1
134.03752	8.1
140.77641	0.8
148.71559	0.7
149.06065	4.7
151.03995	1.1
153.01886	0.8
160.01636	11.3
162.08499	0.8
165.01903	1.5
175.04001	100.0
178.02698	1.3
179.03522	1.1
193.05081	19.8
220.11084	1.7
439.16077	18.3
527.17773	64.6
527.25018	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
71.01383	2.7
74.99088	2.8
89.02469	1.2
101.02441	2.6
113.02498	0.8
132.02188	0.6
134.03754	6.3
136.99167	1.3
148.05516	0.8
149.06104	3.1
160.01659	18.9
175.04005	100.0
191.05597	0.9
193.05058	17.0
219.06627	0.7
288.43094	0.7
329.14328	0.6
383.96683	0.8
400.94434	0.7
424.13541	1.0
439.16159	64.1
484.96024	0.7
527.17773	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81165	1.2
58.99604	1.6
59.01382	16.3
59.29174	1.2
61.98837	6.0
65.42903	1.4
69.05078	1.2
71.01373	6.9
72.27438	1.2
72.99304	12.6
87.00863	2.6
89.02425	8.7
91.51413	1.2
92.20763	1.5
92.48555	1.2
96.96013	5.6
101.02441	6.4
106.25677	1.4
113.02439	2.4
119.03497	2.8
123.04503	2.4
134.03746	9.0
135.04507	3.1
137.02415	2.1
137.83887	1.4
149.06108	2.5
160.01640	15.7
175.04004	100.0
179.03529	10.6
183.24544	1.7
186.92529	1.6
193.05038	16.8
197.04614	11.9
220.11052	1.8
395.85397	2.0
407.24197	1.5
439.16260	32.2
527.17737	84.2
527.25061	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67693	0.4
53.45606	0.4
58.01306	0.4
59.01385	0.9
68.98845	0.4
70.96034	0.5
75.40221	0.4
78.95914	2.0
79.95755	0.7
81.61923	0.4
96.96004	100.0
96.96900	6.6
103.62491	0.5
116.84247	0.5
141.33739	0.4
195.67455	0.4
220.10962	0.5
376.18808	0.5
509.16727	0.8
527.18347	0.8
527.25177	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.192
Annotation	Physalin Y
Peak:m/z	Relative Intensity
56.54165	1.3
56.94638	1.4
57.80701	1.4
59.01391	2.8
60.04750	1.3
62.30255	1.5
63.72073	1.7
68.76814	1.3
71.01408	2.6
74.00697	2.6
77.28378	1.4
77.80119	1.4
82.02977	7.2
84.04503	1.8
85.02949	1.8
86.02470	16.8
87.00890	1.6
87.93615	1.5
89.02433	1.5
94.51128	1.7
101.02439	6.8
101.04326	6.4
110.06149	3.5
115.04015	1.6
125.07201	12.7
126.05599	2.2
127.05130	2.2
127.08762	15.4
128.03532	100.0
134.30235	1.6
140.49445	1.7
149.06248	2.1
149.07262	6.7
153.06673	6.1
154.05115	13.5
158.05156	1.7
159.92453	1.5
169.06152	18.4
169.09837	1.4
170.04584	3.6
171.07751	85.7
179.08350	2.7
185.03906	7.0
186.07652	1.9
191.05629	7.5
197.09399	3.5
200.05608	12.3
203.04962	10.8
215.06830	1.8
243.09795	3.2
245.01636	1.6
275.07141	8.9
290.08850	3.7
333.13269	2.7
365.09903	15.3
365.14105	18.9
377.11911	11.9
437.15942	10.3
440.12167	1.9
509.18320	6.3
527.19281	91.1
543.43604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78001	3.0
53.66860	3.3
59.01380	100.0
66.22831	3.5
77.88716	3.8
83.85748	4.0
94.41196	3.8
166.74420	4.0
189.69484	3.6
197.11861	5.5
274.11969	4.4
427.44812	4.6
467.18472	5.2
527.15247	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2143
Annotation	Dutasteride
Peak:m/z	Relative Intensity
54.23185	1.7
59.01105	4.1
59.01385	85.9
71.01377	11.3
73.02947	2.2
79.44300	2.1
85.02954	2.8
87.00848	2.3
89.02444	14.2
97.02946	3.3
97.06615	5.2
101.02431	12.5
107.05038	5.0
111.62640	2.6
113.02478	2.5
115.04010	11.8
119.03541	8.2
119.05019	2.2
127.03980	4.7
135.04538	2.6
139.61131	2.4
144.59358	2.0
155.03394	3.0
161.09709	15.9
161.13365	2.5
187.11266	23.7
189.09172	3.6
199.02373	3.8
203.10733	3.2
205.12308	3.4
223.13403	40.0
232.76506	2.6
249.11273	9.1
267.12424	69.6
327.08792	9.1
429.17719	4.3
442.20544	2.6
527.21332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02764	1.6
59.01369	12.1
60.63105	2.0
65.04311	2.2
71.01379	2.5
76.85149	2.3
83.05038	2.4
85.42066	2.1
88.98787	3.2
89.02455	2.3
97.02942	5.2
108.05770	2.9
109.02942	2.7
111.04508	11.4
113.06059	4.3
120.44224	2.3
123.08117	2.8
125.06066	15.2
136.05254	3.6
139.07654	27.0
151.07654	48.3
152.04796	3.4
152.08437	14.8
153.09161	15.7
161.09676	2.4
163.07660	4.4
167.07120	2.7
171.85112	2.2
201.12900	18.4
204.11583	27.9
219.13910	54.2
263.12903	100.0
288.43860	2.2
327.08719	4.8
407.28787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.0
71.01376	7.0
72.99302	1.8
75.00873	9.6
85.02934	10.7
87.00869	2.2
88.90468	0.8
89.02454	3.8
95.01370	3.6
99.00868	8.4
103.00390	0.9
113.02451	13.6
115.00326	1.2
117.01894	2.0
129.01909	0.9
142.06441	0.9
156.43623	0.8
172.53592	0.9
249.06227	6.2
255.23271	1.5
277.21744	62.0
306.07068	0.9
527.28711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88735	1.0
52.59146	1.0
57.03422	1.3
58.89119	1.0
59.01381	66.6
63.17474	1.1
71.01377	19.5
72.99294	5.4
73.02930	6.1
78.95895	1.9
83.01395	1.8
85.02916	9.6
89.02430	14.2
93.97198	1.2
96.19842	1.1
96.95996	5.3
97.02933	1.7
99.00871	1.8
101.02440	21.7
104.76256	1.1
113.02467	12.7
119.03490	3.0
123.04514	1.1
124.85216	1.2
127.21963	1.2
134.39424	1.2
135.04507	1.3
145.02991	4.7
146.03290	1.7
159.02965	1.6
161.04509	6.4
163.10101	1.1
197.04565	5.7
203.94582	1.4
210.46898	1.6
218.94896	1.2
448.70364	1.5
467.26550	100.0
483.14600	1.6
491.19519	1.5
527.20398	8.2
527.28595	12.3
527.70844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.3
69.66457	0.8
71.01382	3.8
71.05016	10.4
72.66798	1.1
78.27916	0.9
83.05019	1.0
87.00859	1.0
89.02424	3.8
97.06567	1.9
101.02448	5.7
108.76650	0.8
111.08154	2.1
113.02451	1.5
119.03439	1.0
121.10262	0.9
137.09750	1.1
152.83008	1.0
171.10277	1.4
181.12291	1.3
185.11902	1.1
195.13899	4.9
198.65083	1.0
207.13867	3.7
217.10956	1.3
219.13956	4.3
223.16957	1.2
235.17101	1.9
247.20544	1.8
253.09184	12.2
291.19705	100.0
527.28339	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98194	0.7
57.03432	0.6
59.01382	10.8
71.01378	11.6
71.70509	0.7
72.99304	1.7
73.02959	1.2
74.08238	0.7
75.00871	11.2
85.02937	14.4
87.00895	5.4
87.28251	0.6
89.02428	4.6
95.01364	3.7
99.00891	6.0
103.00341	1.3
106.22165	0.7
113.02445	17.9
115.00378	1.1
116.01066	0.6
117.01888	0.8
118.48066	0.7
129.01942	0.9
155.09297	0.7
175.02513	1.2
197.11981	2.5
215.12820	5.0
249.06285	1.4
255.23346	2.7
267.07233	3.6
277.21738	41.1
293.21274	0.7
382.71609	0.8
527.28693	100.0
527.35168	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46675	2.2
92.23114	2.7
121.02895	2.6
133.02940	37.6
134.03746	74.3
135.04521	58.3
137.02434	27.6
139.04028	4.4
145.68512	3.1
177.01932	5.8
178.02710	100.0
179.03511	91.8
226.92001	2.9
354.92438	2.8
376.71024	2.8
483.11523	3.0
483.31207	23.5
527.30048	22.5
527.36920	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72834	0.8
57.03469	1.0
61.34512	0.9
66.18552	0.7
70.54058	1.0
75.00866	4.3
77.85709	0.8
85.02941	1.9
99.00919	1.8
134.86536	0.9
147.02982	5.8
154.27002	0.9
201.37906	1.0
218.63292	0.9
264.20721	1.0
281.24881	100.0
527.32281	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.16764	1.0
61.96381	1.1
66.16003	1.0
69.62791	0.9
69.63194	1.2
71.01379	4.6
73.02930	1.6
85.02918	1.4
101.02448	6.0
113.02465	1.4
151.11304	2.0
240.31169	1.5
301.00473	1.3
467.30145	20.1
527.32867	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28452	0.8
69.11466	0.7
70.82430	0.7
82.34641	0.8
83.95528	0.7
85.30051	0.8
92.22486	0.9
97.06564	3.2
106.31325	0.8
125.09711	55.3
133.13676	0.8
139.11296	1.8
152.10803	4.7
156.10271	3.4
167.51640	0.8
169.08665	1.5
170.11874	34.8
172.09833	1.3
186.09776	1.5
186.11369	31.7
195.87360	1.0
219.20694	0.8
278.21320	8.3
297.06860	0.8
322.20233	28.5
322.23663	1.5
326.19669	1.6
340.21323	55.4
382.43869	0.8
453.35013	0.8
527.33380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
67.01917	0.7
70.55823	0.7
70.88091	0.7
71.05019	18.3
73.02939	0.9
87.00874	1.7
99.04518	13.8
103.04013	1.7
106.38776	0.7
125.02446	21.0
135.46274	0.9
143.03531	3.8
161.04550	1.9
200.30858	0.8
267.26923	1.8
281.25116	2.5
281.28470	28.8
323.29599	18.6
341.30643	100.0
527.35999	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0767
Annotation	(-)-Dragmacidin E
Peak:m/z	Relative Intensity
51.15339	1.4
53.67244	1.4
58.06473	1.5
62.50721	1.5
63.48787	2.0
66.07565	1.6
75.11929	1.7
93.76111	1.6
105.39890	1.7
108.47605	1.8
134.49182	1.6
158.13173	1.9
253.99022	1.6
285.02200	4.2
297.99426	37.3
313.01773	47.8
320.12064	1.8
325.98965	12.7
333.63480	2.1
341.01263	10.3
442.04019	6.5
454.03757	6.8
500.09561	2.1
528.07581	100.0
544.10077	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37334	1.8
59.01377	14.2
60.03212	2.0
71.01385	4.8
78.98842	1.9
86.02472	47.5
89.02440	15.2
96.04542	27.4
101.00660	69.7
101.02423	4.7
111.00871	12.2
112.04036	4.1
113.02407	3.9
119.03548	4.2
120.01236	28.9
120.09025	2.0
120.11556	2.5
122.02442	3.1
124.16879	2.3
126.01767	2.5
140.03542	50.9
144.99646	86.4
153.34700	2.3
158.04572	10.4
166.01442	14.1
169.01778	2.6
176.13979	2.1
179.05585	3.1
184.02505	3.1
200.00117	3.8
202.03540	4.5
218.01329	29.0
218.24670	2.3
236.02332	21.8
243.48318	2.4
274.56320	2.6
313.86588	2.7
325.06027	12.1
341.32425	2.7
348.04074	4.5
451.78625	2.3
510.09253	36.2
528.10376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37334	1.8
59.01377	14.2
60.03212	2.0
71.01385	4.8
78.98842	1.9
86.02472	47.5
89.02440	15.2
96.04542	27.4
101.00660	69.7
101.02423	4.7
111.00871	12.2
112.04036	4.1
113.02407	3.9
119.03548	4.2
120.01236	28.9
120.09025	2.0
120.11556	2.5
122.02442	3.1
124.16879	2.3
126.01767	2.5
140.03542	50.9
144.99646	86.4
153.34700	2.3
158.04572	10.4
166.01442	14.1
169.01778	2.6
176.13979	2.1
179.05585	3.1
184.02505	3.1
200.00117	3.8
202.03540	4.5
218.01329	29.0
218.24670	2.3
236.02332	21.8
243.48318	2.4
274.56320	2.6
313.86588	2.7
325.06027	12.1
341.32425	2.7
348.04074	4.5
451.78625	2.3
510.09253	36.2
528.10376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86067	1.2
56.90599	1.5
59.01375	2.1
72.86367	1.3
111.04636	1.4
211.65050	1.5
226.47127	1.7
226.49609	1.6
235.08250	1.7
249.18608	100.0
251.61069	1.9
253.09357	14.8
415.79971	1.6
485.27698	6.8
532.64697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79333	1.0
66.94659	1.1
83.05029	2.5
87.93713	1.1
111.08157	44.7
125.09716	26.2
128.10829	1.1
142.12393	2.3
152.10818	1.7
155.63260	1.1
170.11830	9.3
172.09805	78.2
186.11372	100.0
219.00516	1.4
243.78714	1.2
281.89221	1.3
308.18655	2.0
309.21878	5.9
323.23407	4.7
325.21381	29.9
357.23993	23.2
409.34048	1.4
528.28442	1.5
528.36407	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
61.98830	1.3
68.42554	0.3
97.06573	0.7
111.08144	0.3
111.27426	0.3
125.09710	21.7
125.10639	0.7
129.29231	0.4
130.00993	0.3
142.12392	1.9
168.10349	0.5
170.11882	5.5
172.09784	2.3
186.11360	100.0
216.14027	0.3
339.22974	1.4
357.23987	4.4
399.60416	0.3
528.36694	0.7
535.77490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.5
71.01372	2.8
72.99312	1.1
79.95734	2.1
80.31911	1.0
89.02431	1.9
92.23068	1.3
95.95237	2.3
96.96005	65.9
97.99399	1.2
101.02476	2.4
113.02445	1.2
114.08294	1.3
135.04523	5.2
149.02420	12.4
151.04002	1.3
152.01140	6.5
163.04001	4.4
164.04797	40.2
164.06114	2.3
169.05061	2.2
179.03528	1.3
179.07146	14.5
193.01454	11.4
193.05133	1.4
208.03784	100.0
223.06126	95.0
305.03387	7.4
386.91599	1.4
529.10315	66.4
529.26886	20.8
532.39929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12951	2.0
59.01377	1.9
67.23631	1.8
91.61448	1.7
108.18757	1.9
109.02934	9.9
116.22318	1.8
132.97514	1.8
136.93030	2.2
142.00203	1.9
152.99580	2.2
194.16927	1.9
289.06387	3.0
315.84042	2.1
399.10083	3.2
411.10135	2.4
425.07974	17.4
427.09253	35.7
430.81747	2.0
439.09378	2.3
441.10999	14.7
442.12381	2.9
452.10339	4.7
455.08582	43.5
457.14301	2.1
469.10443	22.1
470.11053	7.7
485.06577	4.0
485.13556	100.0
515.19525	2.4
529.12750	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33764	0.6
57.93172	0.8
70.16476	0.8
73.65568	0.8
78.95902	35.7
81.72681	0.9
86.06622	0.7
95.06766	0.9
96.96033	15.0
96.96952	100.0
136.81789	0.8
145.64973	1.0
148.67113	0.8
150.41226	0.8
189.36607	0.9
216.68155	0.8
244.97807	0.9
293.27539	0.9
396.21103	0.9
529.13483	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67789	0.4
58.16185	0.4
59.01368	1.0
63.27936	0.5
67.01880	1.9
71.01380	3.4
80.02700	0.5
83.05011	0.5
84.39038	0.4
88.77797	0.6
90.60980	0.5
93.03451	17.1
93.44410	0.5
111.00875	0.6
111.04499	4.0
115.00366	3.0
133.01405	7.0
134.03729	5.2
137.02470	3.9
149.06056	7.5
155.03479	3.1
173.04549	100.0
178.02693	4.3
193.05084	17.1
244.84113	0.5
282.56497	0.7
316.92905	0.6
322.04425	0.6
332.10895	0.7
355.10336	2.0
443.86166	0.5
529.15784	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86766	1.1
62.18662	1.1
67.01880	2.2
72.28967	1.3
81.69757	0.9
82.04465	1.0
87.00875	9.0
93.03457	32.6
101.56458	1.1
111.04494	5.9
133.13564	1.2
134.03737	24.0
134.88744	1.1
148.16342	1.2
149.06081	30.2
149.57249	1.3
155.03534	2.1
171.01584	1.3
173.04549	16.5
178.02725	15.0
191.05675	3.6
193.05077	100.0
355.10510	9.2
400.03812	1.2
529.15680	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89370	0.7
60.99292	0.9
67.01891	3.9
69.03472	0.9
71.01363	1.1
87.00870	6.5
93.03444	31.1
107.51315	0.7
108.13433	0.7
109.72102	0.7
111.04498	9.5
129.01884	0.7
134.03737	22.6
137.02492	1.0
138.52431	0.8
149.06065	30.8
155.03526	5.7
173.04541	24.9
178.02690	18.4
191.05577	3.2
193.05060	100.0
235.06322	1.0
355.10364	9.5
367.10571	0.8
378.63092	1.0
424.76154	0.9
502.28299	0.8
529.15662	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94745	0.2
57.03446	0.5
57.24353	0.2
59.01377	1.2
60.00500	0.2
60.99312	0.2
64.63068	0.2
67.01887	2.2
69.03471	0.3
70.64326	0.2
71.01373	2.4
73.87359	0.2
76.00594	0.2
76.24184	0.2
79.75629	0.2
80.70966	0.2
83.05029	0.3
84.72378	0.2
93.03451	18.3
109.02940	0.3
111.00881	0.3
111.04517	5.2
127.03986	0.3
134.03751	6.0
137.02444	4.2
141.81590	0.2
142.46579	0.2
149.06084	6.2
155.03500	4.1
173.04552	100.0
178.02721	4.4
184.88219	0.2
193.05072	19.2
226.42276	0.2
251.04854	0.2
304.77545	0.2
308.48392	0.3
355.10437	1.2
429.21576	0.3
487.56616	0.2
529.15704	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03152	0.7
61.53464	0.9
68.86439	1.0
72.99300	43.9
87.00890	1.8
93.03454	7.3
109.02936	2.3
123.04507	22.7
125.02438	1.0
134.03761	1.9
135.04523	20.8
137.35301	1.2
145.79805	1.3
149.06100	2.5
150.03215	14.9
151.04002	100.0
154.37407	1.1
169.01462	10.5
173.04550	6.0
178.02740	2.1
179.03505	49.0
191.05597	1.7
193.05084	14.7
197.04552	84.2
313.09396	21.5
331.06940	3.1
331.10352	48.7
342.35422	1.1
449.08762	1.2
457.23285	1.3
460.50455	1.2
469.39935	1.3
529.15503	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97991	0.9
60.24441	1.1
66.00873	1.0
67.01881	1.7
71.01367	2.1
77.16600	0.9
93.03448	17.6
111.04482	5.2
124.71649	1.1
133.37558	1.1
134.03751	8.2
137.02426	4.2
149.06090	4.8
155.03458	2.3
173.04547	100.0
174.51038	1.1
178.02686	4.8
193.05075	20.1
355.10324	1.4
520.68439	1.2
527.53748	1.1
529.15649	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59502	0.3
59.47871	0.3
63.50343	0.3
88.02438	0.3
93.03437	0.8
106.93217	0.4
111.04508	2.6
134.03735	22.6
137.02440	0.4
142.00212	0.4
149.06076	29.5
151.48305	0.3
155.03526	4.4
169.01483	0.4
173.04533	7.1
178.02719	16.6
191.93137	0.4
193.05058	100.0
355.10403	10.6
529.15686	35.4
550.38074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99323	6.4
62.76792	0.8
66.65093	0.8
67.01882	9.6
69.03464	1.6
71.01363	4.3
72.83939	0.8
81.03463	1.0
87.00863	19.1
93.03452	88.0
99.00848	1.5
102.08669	0.9
111.04501	18.4
113.02464	1.8
115.04071	1.5
129.01929	2.0
133.01445	1.4
134.03743	5.7
149.06079	5.9
155.03520	3.5
171.84006	1.0
173.04546	34.6
178.02747	4.0
191.05617	12.2
193.05074	26.1
213.67059	1.0
234.33081	1.1
256.90439	1.1
367.10388	1.8
378.52597	0.9
401.97229	1.0
484.35626	1.0
494.17804	1.0
529.15698	100.0
550.70044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65239	0.9
59.01388	3.7
60.99306	1.9
67.01880	6.1
69.72437	1.0
71.01369	4.8
71.22924	1.1
73.02934	1.2
81.03449	1.0
87.00874	10.6
89.02435	1.4
93.03450	56.0
98.99470	1.1
101.02435	1.9
111.04517	12.2
113.02458	2.1
130.75891	1.3
134.03754	9.3
149.06050	5.0
155.03511	4.8
173.04559	51.4
175.04048	1.3
178.02686	7.3
191.05640	100.0
193.05078	44.6
249.07603	1.6
302.73096	1.2
367.10376	10.6
469.23291	10.2
529.15625	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01380	0.9
65.50489	0.5
67.01885	2.8
68.14183	0.4
68.64568	0.5
71.01381	2.4
92.22514	0.5
93.02863	0.8
93.03444	17.6
106.61488	0.4
111.00924	0.8
111.04506	4.2
111.05186	0.4
134.03757	5.9
135.37257	0.5
137.02454	4.2
143.69548	0.4
149.06091	6.3
155.03496	3.9
173.04549	100.0
178.02725	3.3
189.24440	0.5
193.05060	17.2
274.16049	0.4
275.10992	0.5
355.10461	2.1
396.53830	0.5
429.24667	0.4
529.15649	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
60.99304	3.1
67.01898	4.6
68.33657	0.6
69.03465	1.1
70.37029	0.5
70.48889	0.7
71.01363	2.7
81.03415	0.8
83.05046	1.3
85.02969	1.1
87.00873	13.5
93.03452	48.8
102.67654	0.6
111.04520	10.5
129.01895	1.5
134.03745	4.9
149.06071	5.9
155.03445	2.2
173.04549	20.1
178.02789	4.9
179.03571	0.9
191.05630	94.5
193.05078	34.7
285.25189	0.7
320.63782	0.7
367.10577	7.1
529.15698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	3.3
67.69956	0.8
68.79074	0.8
71.01366	1.4
78.85550	0.7
87.00871	6.3
93.03452	29.1
99.04527	0.7
100.78560	0.8
107.10183	0.9
108.78365	0.8
111.04523	6.5
129.01903	1.0
134.03745	29.6
137.02412	1.1
149.06090	32.4
155.03496	3.4
173.04575	11.6
178.02710	16.4
191.05623	3.6
193.05070	100.0
332.04941	0.8
355.10419	8.8
448.16888	0.8
508.07983	1.1
529.15680	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63147	0.6
54.05159	0.5
57.86803	0.5
59.01381	1.6
60.99310	1.3
67.01894	5.0
71.01375	4.6
73.99782	0.6
85.02949	1.0
87.00859	10.1
93.03452	49.2
100.24499	0.7
111.04526	9.1
113.02390	1.0
115.00346	0.8
121.33890	0.8
129.01909	1.2
134.03703	4.6
149.06099	4.7
155.03520	2.6
173.04564	22.3
175.03946	1.1
178.02747	4.4
190.59378	0.7
191.05640	91.1
193.05072	29.5
196.68732	0.7
294.21054	0.7
367.10300	8.0
529.15710	100.0
546.37646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70785	0.4
71.01361	0.6
92.22585	0.5
93.03442	1.0
106.31873	0.5
111.04524	2.1
124.28098	0.4
134.03741	22.9
137.02499	0.6
146.16051	0.4
149.06085	28.1
155.03499	3.9
173.04567	4.4
178.01498	0.4
178.02731	17.2
193.05077	100.0
221.82585	0.4
311.59796	0.5
355.10397	11.3
529.15698	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32150	1.0
55.96762	0.9
58.66255	0.9
67.01882	4.5
71.01389	1.2
74.59432	1.2
74.97030	1.5
77.63977	1.1
87.00874	7.9
92.31053	1.1
93.03449	48.3
111.04512	11.5
125.91579	1.1
129.01974	1.7
134.03734	5.1
137.05986	1.5
149.06055	7.5
155.03497	1.5
166.42209	1.1
173.04550	32.5
178.02750	5.0
179.03487	1.5
186.27081	1.2
191.05629	94.2
193.05066	34.4
225.11279	1.2
367.10303	6.2
448.18372	1.1
529.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92852	0.3
59.01374	0.5
67.01878	2.8
71.01360	2.1
72.99287	0.4
83.05039	0.6
90.77061	0.4
93.03447	15.3
111.04521	5.1
115.00356	2.1
133.01440	4.5
134.03749	5.9
137.02419	4.6
142.30640	0.5
149.06070	5.2
155.03477	3.6
173.04547	100.0
178.02718	3.7
193.05057	16.3
197.04625	0.8
300.77353	0.5
355.10229	1.1
462.33463	0.5
529.15717	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15548	0.7
59.01382	1.2
60.99304	4.7
67.01898	7.4
67.62379	0.7
69.03458	2.1
71.01369	4.2
73.02935	1.0
81.03438	1.0
83.05032	1.4
85.02951	1.1
85.06604	1.0
87.00874	19.2
93.03449	85.0
99.00854	1.7
111.04511	15.1
113.02403	1.5
113.06070	1.4
115.03981	7.5
123.23743	1.0
129.01927	2.2
134.03773	10.2
137.02399	1.3
149.06052	12.1
155.03503	4.7
173.04533	36.6
175.06113	19.9
178.02733	5.5
191.05620	13.4
193.05072	44.4
230.13289	1.2
355.10556	1.1
367.10321	1.7
529.15698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36766	0.6
64.98516	0.8
71.01384	7.2
72.99316	1.4
83.96897	0.9
115.00356	35.2
133.01424	100.0
144.09280	0.9
248.83171	0.9
529.16089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25117	0.9
71.01386	8.1
72.99332	1.2
80.33743	0.9
92.22514	1.1
93.03457	5.5
111.04536	1.4
115.00364	35.1
128.36111	1.1
133.01428	100.0
134.03705	1.8
145.72659	1.0
149.06087	1.5
150.65913	0.9
156.35338	1.0
157.03969	1.1
173.03146	2.0
173.04547	29.9
179.51074	1.0
193.05130	5.8
193.20099	1.0
502.83829	1.2
529.15515	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84631	0.7
58.38244	0.9
59.01383	100.0
72.99265	0.9
73.05108	1.1
78.41779	0.8
103.77841	0.8
161.02472	3.8
176.04778	8.0
176.34535	1.1
177.06650	1.0
179.03580	6.9
183.00850	0.9
191.07182	4.9
194.05867	26.6
197.04552	1.2
209.08208	54.5
247.86598	1.0
306.45200	1.0
529.26770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07442	1.0
55.14343	0.9
59.01377	14.8
64.46810	1.3
67.37144	1.1
71.01372	8.3
73.02940	1.5
79.34995	1.1
81.52279	1.1
83.33962	1.1
85.02946	1.9
85.27046	1.1
87.00865	30.7
89.02427	7.2
89.04575	1.1
96.96011	3.0
101.02448	12.3
113.02435	6.9
114.73541	1.1
119.03457	2.9
121.53558	1.2
123.04530	1.3
125.06123	1.3
130.92587	1.2
135.04472	2.2
136.05286	4.8
149.02493	1.5
151.07619	2.2
161.04630	2.4
161.05992	1.6
177.05537	10.6
195.06639	73.9
221.08279	3.1
239.09248	2.2
242.08342	1.4
263.11230	2.2
309.20285	1.1
315.87708	1.4
529.19293	100.0
529.26361	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1934
Annotation	Dracunculifoside F
Peak:m/z	Relative Intensity
51.95088	1.0
55.64137	1.2
59.01389	1.5
71.01383	1.3
72.99307	77.4
73.00690	0.9
83.45593	0.9
88.51211	0.9
89.02408	1.2
93.03424	1.0
123.04528	22.6
135.04529	26.9
151.03970	1.2
173.04575	1.5
179.03516	83.3
193.05031	1.8
197.04575	100.0
205.05162	2.4
341.08832	1.3
529.19403	97.9
537.15216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88386	0.8
53.20235	0.9
53.33185	0.9
56.01685	0.7
59.01103	1.8
59.01383	35.8
66.27377	0.8
69.82890	0.8
69.91640	0.9
71.01380	1.2
71.86564	1.0
72.99304	59.4
81.04811	0.9
89.02427	1.6
93.03464	1.3
101.02418	1.3
101.34214	1.0
123.04500	18.3
129.55161	1.0
135.04518	23.0
151.04047	2.0
153.05492	1.2
176.04782	5.8
179.03510	68.0
191.07185	1.2
193.05055	1.6
194.05809	4.1
197.04572	82.0
209.08246	16.7
276.93567	1.1
351.32028	1.0
370.58536	1.2
529.19342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42422	1.0
59.01386	15.7
66.18081	1.0
70.78521	1.0
71.01371	8.4
71.20710	1.1
73.02918	1.6
81.73956	0.9
85.02943	1.1
89.02414	6.6
93.03393	1.2
97.06574	1.2
99.04440	1.1
101.02438	7.9
101.07980	1.0
113.02437	4.0
118.01414	6.2
119.03463	1.8
123.04493	1.4
131.76236	1.1
149.02441	8.3
163.04034	1.9
164.04802	25.5
179.07103	8.2
188.04819	1.7
191.03398	4.6
203.07002	4.4
205.05090	17.3
206.05862	23.8
207.02844	2.0
208.03712	5.2
218.12540	1.7
221.08208	42.1
222.05281	2.5
223.04034	2.0
223.06125	46.5
237.07657	11.0
250.04822	11.2
265.07184	61.1
276.01947	1.2
295.08060	5.0
299.18173	1.2
307.18912	1.3
311.12573	1.1
319.72690	1.3
323.13327	6.2
325.09131	6.8
410.21078	2.7
452.54529	1.1
469.17203	1.4
529.19104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.8
71.01364	2.4
71.71534	1.2
72.99302	69.9
78.22568	1.1
88.00883	1.1
93.03416	1.6
101.02457	1.5
118.39971	1.4
123.04491	16.8
135.04518	25.9
138.23035	1.4
151.03955	1.5
166.71582	1.5
176.04720	1.9
179.03500	65.8
197.04567	92.3
209.08197	8.6
493.07446	1.5
529.19287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2299
Annotation	Eurycomaoside
Peak:m/z	Relative Intensity
59.01106	2.0
59.01384	38.0
71.01380	16.2
73.02927	5.0
80.07316	1.0
82.86910	1.0
83.01382	1.8
83.19331	1.3
85.02904	1.3
87.00853	5.5
89.02441	22.8
89.14613	1.1
95.55038	1.2
101.02450	15.4
107.05016	1.5
113.02445	15.5
119.03495	9.3
125.02432	1.1
137.05988	1.3
161.09685	4.6
161.13319	1.6
163.11264	1.8
179.05562	1.2
185.13254	1.3
187.11353	8.4
189.09212	4.5
191.05656	1.4
202.63953	1.2
204.96364	1.2
205.12387	2.0
223.13393	8.0
267.12286	1.1
279.10995	9.0
369.15369	1.7
485.23795	7.1
529.22821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91066	0.8
57.03439	2.0
59.01381	22.1
59.37273	1.0
63.53687	1.0
69.82058	1.0
71.01379	12.5
73.02927	2.2
76.19369	1.3
77.99863	0.9
81.03454	1.8
83.05001	2.7
83.26252	1.0
85.02940	4.5
86.64732	1.0
87.00864	4.7
89.02439	2.1
95.01376	1.1
99.00903	1.2
99.04527	8.1
101.02417	7.3
107.05003	4.9
113.02430	7.8
120.05764	1.9
127.03971	1.1
127.25185	1.1
133.10310	1.3
135.04503	1.6
135.11815	1.3
159.02930	1.4
161.04546	1.9
161.09706	14.5
161.13312	5.7
163.11244	1.5
171.06424	1.1
173.04636	1.2
187.11269	13.2
189.09229	8.9
189.24928	1.2
191.05751	1.1
197.81664	1.3
200.05202	1.3
205.12238	1.9
207.10260	1.6
211.89861	1.1
249.11253	1.4
249.96748	1.2
274.19980	1.2
529.22937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32049	0.9
55.30568	0.9
59.01381	54.3
61.63351	1.0
71.01377	10.7
71.04996	1.1
72.99229	0.9
73.02940	2.0
74.81998	1.0
81.03458	2.6
83.01380	1.3
85.02940	2.1
87.00860	4.7
89.02408	6.0
95.01406	1.5
97.06575	1.5
99.04499	5.4
101.02466	7.7
107.05014	5.6
113.02472	7.4
117.05602	1.3
119.03491	1.1
120.05794	1.5
161.04527	4.4
161.09738	13.8
161.13278	4.8
163.11313	1.3
179.05545	2.4
180.58929	1.0
187.11298	11.7
189.09209	6.5
205.12321	1.3
250.04796	1.1
265.07089	1.3
371.20383	1.2
432.85336	1.0
529.22906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71942	0.4
56.68357	0.3
59.01378	1.9
67.52228	0.4
72.99299	2.3
74.73089	0.4
75.00874	4.4
78.12798	0.5
87.00875	2.2
103.00410	0.5
105.01933	100.0
113.02447	0.4
173.74767	0.4
186.08095	0.5
311.37872	0.4
423.22711	0.7
529.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71942	0.4
56.68357	0.3
59.01378	1.9
67.52228	0.4
72.99299	2.3
74.73089	0.4
75.00874	4.4
78.12798	0.5
87.00875	2.2
103.00410	0.5
105.01933	100.0
113.02447	0.4
173.74767	0.4
186.08095	0.5
311.37872	0.4
423.22711	0.7
529.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2583
Annotation	Desoxymorellin
Peak:m/z	Relative Intensity
53.32492	6.0
54.04802	6.3
54.84284	5.4
59.01364	11.4
68.07053	5.5
86.22588	6.1
90.58138	6.2
94.16529	6.4
103.84787	7.7
317.02112	8.0
329.23477	10.6
529.25751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2663
Annotation	Pharboside E
Peak:m/z	Relative Intensity
55.35604	0.5
56.49380	0.6
59.01381	10.0
71.01376	10.5
73.02940	3.8
75.00868	4.1
76.66534	0.6
83.01367	0.8
85.02943	3.8
87.00861	1.2
89.02440	7.7
90.70747	0.6
94.45493	0.7
94.46175	0.7
96.95999	7.8
98.95597	0.9
99.00887	1.3
101.02439	16.0
113.02451	7.1
119.03500	5.5
129.00385	0.6
131.03479	1.4
161.04555	4.8
161.90300	0.6
194.02846	1.0
221.06682	1.0
231.17513	0.9
349.19974	1.2
358.10962	1.2
384.88409	0.8
511.25519	6.6
513.23578	0.8
529.26636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09198	0.9
57.03437	0.8
59.01366	5.8
70.44705	0.9
71.01377	5.4
72.99291	1.8
75.00863	5.5
78.67284	1.1
78.72033	0.8
78.95896	4.1
85.02940	6.4
87.00841	2.2
89.02444	2.5
95.01372	2.7
96.96004	27.9
99.00858	2.6
102.09093	1.0
103.00345	1.2
113.02425	13.7
116.92823	4.4
117.01942	1.1
119.42167	1.0
120.31947	1.0
152.98595	4.7
152.99643	2.2
249.06218	1.5
279.23291	40.7
529.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3025
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.76757	1.0
59.01385	12.3
63.93958	1.0
71.00504	1.2
71.01381	7.0
72.99325	1.9
75.00864	9.3
85.02945	11.8
87.00867	2.9
89.02419	4.3
95.01369	2.0
96.95966	1.4
99.00883	8.6
113.02431	13.8
115.16112	1.1
117.01942	1.2
127.36012	1.3
157.01508	1.4
163.07103	1.3
198.71756	1.3
249.06192	6.0
279.23312	85.0
437.85934	1.2
467.31595	1.6
529.30298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64469	0.4
56.98952	0.3
59.01381	5.2
59.65158	0.3
61.74258	0.3
66.91401	0.3
71.01375	3.1
72.99305	0.4
73.02967	0.6
85.02931	1.5
85.94288	0.3
87.00850	0.7
89.02437	5.9
101.02451	6.7
109.06582	1.8
113.02431	3.5
119.03483	1.7
143.03511	0.4
155.55499	0.4
155.94585	0.3
156.60225	0.4
161.04585	2.2
171.10242	2.6
179.05623	0.7
182.13136	2.3
183.13914	37.1
211.13406	9.3
231.21234	0.6
235.17072	2.6
248.54286	0.4
253.09305	26.7
265.21765	2.2
275.20193	13.8
293.21268	100.0
431.74390	0.4
529.30267	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94831	0.8
59.01383	9.0
61.42944	0.8
68.84461	1.0
71.01372	6.2
89.02430	6.8
92.22548	1.3
101.02422	9.0
113.02410	1.8
119.03548	0.9
121.10234	13.7
161.04573	3.5
171.10271	31.6
195.13937	12.0
196.14734	1.7
216.53932	1.0
223.13382	6.3
231.21175	1.3
253.09294	38.5
265.21207	0.9
275.20203	34.6
293.21252	100.0
294.37701	1.1
407.19153	1.3
529.30573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98869	2.6
54.32796	3.1
58.08489	2.5
59.01379	15.7
61.98829	7.0
66.91511	2.6
71.01353	4.6
79.51912	2.4
82.10472	2.3
89.02434	6.5
90.87282	3.4
99.70969	2.9
101.02426	12.4
135.20876	2.6
161.04587	3.7
183.10329	5.1
195.14030	3.3
209.15497	24.3
223.17055	44.1
233.45921	3.4
253.09283	36.9
275.20157	32.4
293.21274	100.0
298.84558	3.8
309.33197	3.5
529.30804	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06876	0.6
59.01380	11.4
70.30209	0.8
71.01373	4.7
71.05015	0.9
88.70596	0.8
89.02428	7.8
101.02430	8.3
113.02442	4.2
119.03480	1.4
121.10202	1.9
161.04599	4.0
171.10258	6.6
177.16519	0.9
183.13817	1.0
191.18039	1.1
231.21179	3.6
235.17049	53.8
253.09273	34.6
275.20209	74.0
293.21259	100.0
434.86652	1.0
511.29111	1.6
529.30499	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3045
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.16398	1.2
59.01384	100.0
71.01391	8.3
73.02937	2.7
80.91674	2.1
85.02938	2.2
89.02431	2.1
97.02928	1.2
99.00890	1.0
101.02448	9.2
113.02454	4.7
124.64996	1.3
154.99258	1.2
208.06464	1.2
269.13965	1.4
270.79404	1.3
326.16324	1.1
371.20966	1.7
386.72150	1.2
388.87314	1.3
464.18436	1.2
469.28055	28.7
529.30743	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66378	1.1
65.05708	1.1
66.77149	1.2
137.09734	1.6
141.18620	1.6
155.10794	46.8
169.17589	1.5
171.10291	28.4
199.09822	8.6
217.10828	25.9
255.23326	50.4
273.13428	7.4
291.14627	10.1
476.03455	1.4
529.37573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54206	1.7
53.83336	1.7
82.88261	2.1
84.02662	2.3
84.19221	2.0
93.27388	2.3
117.80259	2.2
136.85368	2.8
145.86331	2.3
153.09181	3.0
155.10779	66.5
171.10284	29.5
174.94708	2.3
199.09734	11.6
217.10817	26.5
255.23326	60.6
273.13443	3.7
291.14450	8.7
529.37531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43817	0.4
66.18171	0.5
73.17838	0.5
87.57074	0.5
97.94714	0.5
113.60664	0.5
131.03267	0.5
140.46834	0.4
150.99126	0.5
159.03232	0.6
160.04021	2.2
195.70311	0.5
235.59320	0.5
246.05545	0.5
266.04510	1.0
280.06293	4.7
294.04095	8.6
308.05673	24.7
308.09088	1.1
309.02972	0.6
309.06488	15.3
324.08801	100.0
368.07828	18.7
486.14371	1.0
530.13086	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43148	0.6
59.27433	0.7
61.21914	0.6
69.61705	0.6
135.54753	0.7
144.04713	0.8
159.03317	0.9
160.04111	1.1
184.50371	0.8
250.05078	1.6
266.04535	1.7
278.04468	0.7
280.06226	6.1
294.04099	9.6
308.02173	1.1
308.05670	30.1
309.03326	1.0
309.06509	13.5
309.63306	0.8
324.08813	100.0
368.07816	19.2
486.13748	1.5
530.13092	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
62.55919	0.9
66.18291	0.9
72.99297	1.8
75.48613	1.0
93.45372	0.9
125.12428	1.2
135.04547	1.3
140.58844	1.1
148.02658	1.2
160.04092	1.8
221.99506	1.1
280.06128	5.0
292.06265	1.4
294.04089	10.6
308.05701	29.6
309.06442	14.1
324.08798	100.0
368.07745	16.6
406.41879	1.2
530.13074	22.3
530.19800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56329	0.5
64.26157	0.5
65.42512	0.5
81.32554	0.5
101.24591	0.5
128.83531	0.5
139.17458	0.5
159.03236	0.8
160.04031	2.2
210.70404	0.5
250.05127	0.9
263.05826	0.7
266.04550	2.7
275.09601	0.5
279.05222	0.6
280.06180	4.6
294.04166	9.9
308.02118	0.9
308.05704	26.1
309.06488	15.8
324.08810	100.0
365.55167	0.5
368.07782	17.0
486.14017	2.3
497.48517	0.5
518.16211	0.5
528.67676	0.6
530.13068	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43974	0.5
59.20263	0.4
63.85956	0.4
92.94566	0.5
100.27829	0.4
159.03296	0.6
160.03979	1.7
238.04955	0.8
250.05057	1.8
263.06039	0.7
280.06247	5.5
281.54575	0.5
290.04520	0.5
294.04150	8.5
308.02112	1.1
308.05688	28.4
309.06497	14.5
324.08804	100.0
368.07806	20.0
486.14114	2.1
530.05359	0.9
530.13116	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68502	0.6
59.01389	0.7
65.77472	0.5
66.32967	0.5
73.90192	0.6
74.00311	0.5
86.23518	0.5
94.83268	0.6
97.40870	0.6
113.02436	1.2
141.38181	0.5
159.03317	0.7
160.04065	1.2
164.03592	3.1
196.06155	3.6
208.46252	0.6
222.41934	0.6
250.05090	0.9
263.05914	0.8
266.04584	2.5
271.11099	1.1
280.06174	5.6
289.11945	2.4
292.06146	0.9
293.03204	0.7
294.04202	9.2
301.49112	0.6
308.05676	24.8
309.06470	13.7
324.08829	100.0
335.12601	3.2
368.07819	17.1
486.13846	1.2
530.12970	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84190	0.5
71.50057	0.5
75.57075	0.5
78.95901	40.1
96.12102	0.6
96.96954	100.0
127.49439	0.5
134.84329	0.6
141.73943	0.6
155.75648	0.5
162.05600	33.1
183.27899	0.5
189.45534	0.6
270.08667	1.0
270.11374	17.7
307.94751	0.6
355.87820	0.5
432.16666	42.5
530.14154	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62326	1.4
59.85765	1.4
62.53693	1.5
69.53226	1.4
72.20696	1.5
79.42504	1.7
91.01871	27.8
98.83810	1.6
108.02176	30.5
112.35484	1.8
114.05576	1.6
123.04516	100.0
123.99389	1.8
125.21828	1.7
134.03798	2.1
141.03499	12.7
143.05006	8.2
159.04451	2.0
171.04498	2.1
190.05106	70.5
278.06021	2.5
279.06546	3.6
280.07431	24.6
288.89478	2.0
293.08273	16.8
295.09872	19.7
338.01312	34.4
352.02722	2.6
353.03656	23.5
368.06015	27.0
370.42245	1.7
439.53082	2.0
530.14880	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58567	1.5
57.86046	1.7
60.70190	1.6
61.98838	1.6
65.14616	1.8
84.54881	1.6
91.01885	21.7
93.67493	1.8
99.92451	2.1
103.96407	1.9
108.02191	22.7
114.15005	2.0
115.18528	1.8
123.04520	100.0
139.82309	2.0
141.03496	7.0
143.05006	2.5
143.70319	2.3
159.04532	2.6
162.77899	2.0
190.05118	58.0
190.06842	2.2
278.05789	2.7
280.07541	15.9
293.08215	12.3
295.09769	16.5
458.73309	1.9
530.14624	65.6
530.27594	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58079	1.0
57.22805	1.0
57.35294	1.1
82.61560	1.1
123.04493	1.5
131.57021	1.2
134.03748	5.8
149.06041	1.9
160.04034	10.5
161.04820	100.0
162.05605	2.8
163.99911	1.4
164.08392	1.5
174.05545	5.0
175.06369	1.8
176.07164	36.3
177.01994	2.0
193.05028	2.8
279.06747	8.4
293.50787	1.3
294.08981	5.7
307.08441	2.3
309.11340	1.9
317.06857	8.0
319.08499	1.6
320.09244	2.1
332.09387	16.7
348.12299	2.3
362.14035	1.5
421.68338	1.4
426.10208	2.5
440.11597	1.8
441.12259	24.4
453.68875	1.5
456.14554	33.1
471.16840	8.4
486.19235	88.1
530.11285	2.2
530.18390	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55542	0.9
58.98652	0.9
59.01382	1.1
61.32552	0.9
61.98832	1.6
62.29791	1.0
68.58836	1.0
86.95112	1.1
96.89816	1.1
122.31832	1.1
123.46465	1.1
214.33878	1.2
242.07927	1.4
255.23299	100.0
315.22455	1.2
322.04935	1.5
333.90543	1.2
480.31036	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12078	0.4
57.87312	0.4
66.15429	0.4
78.95902	6.8
80.80064	0.4
112.31876	0.5
132.20576	0.6
152.99553	1.2
153.37596	0.5
161.25851	0.5
168.04335	2.1
224.06943	8.4
242.07970	0.9
255.23315	100.0
408.57764	0.5
419.11407	0.5
433.04068	0.5
480.31018	54.0
530.30127	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20721	2.0
51.25043	2.0
57.03461	4.4
59.01385	93.7
61.98826	5.2
62.51895	1.9
67.62798	1.9
71.01349	2.9
75.00853	2.3
81.52576	2.2
83.01382	14.2
85.02940	4.1
91.03924	2.7
92.23048	3.0
96.95966	3.0
106.79782	2.5
128.55284	2.5
140.21779	2.5
157.05121	4.6
167.46481	2.1
175.06129	22.2
180.53687	2.1
193.07234	5.4
201.42563	1.9
232.41252	2.4
253.21747	100.0
253.24284	4.8
279.23401	3.0
280.23685	9.7
286.71008	2.2
411.27609	14.3
429.28592	49.4
471.29709	46.4
530.30267	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43303	0.4
63.83191	0.5
64.55684	0.5
76.32304	0.5
81.03470	1.1
114.78471	0.7
114.79280	0.6
149.02470	4.3
149.19679	0.6
152.99588	3.4
230.02335	0.8
261.55112	0.6
265.83215	0.7
292.94882	0.7
334.01266	2.4
347.01794	0.7
349.03711	3.2
354.04504	0.7
360.99915	2.6
364.05991	0.7
366.03854	6.9
369.21002	0.6
381.06332	2.3
384.06366	5.4
388.06015	3.0
393.02579	6.9
400.05902	1.0
412.05927	6.0
426.07504	0.7
427.08282	1.2
428.05377	2.6
429.05795	0.9
440.05389	7.0
449.23080	0.8
453.06168	1.2
454.06906	2.7
455.07785	2.5
456.04831	3.4
466.03519	2.4
471.07251	3.7
472.08347	4.1
481.05753	3.2
482.06662	1.2
488.07437	3.4
498.99460	1.3
499.06741	32.2
531.09393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53258	0.4
54.78030	0.5
57.89933	0.4
66.45500	0.5
72.99295	0.6
78.95901	69.2
82.34794	0.5
96.96938	4.1
101.93350	0.6
129.41759	0.6
130.77480	0.6
132.46759	0.5
140.56656	0.6
168.55353	0.6
171.00644	100.0
197.04590	2.6
223.76442	0.5
359.09842	3.1
359.67383	0.8
360.97198	0.6
486.60501	0.7
531.11420	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10928	0.4
55.04420	0.4
61.39621	0.4
70.34309	0.4
78.95901	65.3
85.02928	0.4
96.96953	3.9
99.27788	0.5
126.56414	0.4
171.00645	100.0
179.03526	0.6
191.05646	13.3
197.04582	2.7
230.20720	0.5
268.71078	0.5
341.56250	0.5
359.10074	1.0
531.11121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46674	0.4
56.56807	0.4
59.51045	0.4
60.63785	0.4
65.86797	0.4
78.14590	0.4
85.02943	0.9
105.03441	0.6
124.40399	0.5
133.02933	2.1
161.02435	1.1
173.04564	0.6
177.00343	1.1
177.01938	50.5
191.05626	100.0
228.61656	0.5
315.37268	0.5
328.01227	0.5
353.08829	26.7
400.88861	0.5
531.14435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05266	1.3
70.27920	1.2
71.09240	1.1
78.95902	8.3
90.46995	1.4
115.92133	1.4
176.92653	1.8
178.88448	8.0
179.89185	2.7
180.89990	9.4
185.22841	1.4
190.01273	1.3
196.89502	100.0
214.31464	1.4
258.54474	1.4
360.91989	1.7
513.13086	2.4
531.14679	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.1
68.00339	0.5
68.50769	0.4
71.01359	3.5
73.02953	1.0
75.41332	0.4
81.48499	0.5
89.02452	1.1
101.02452	3.3
113.02445	0.7
119.05019	100.0
133.02968	0.9
134.03758	7.2
135.04610	1.6
137.02400	0.6
145.02931	1.0
149.02420	1.1
149.06047	5.5
150.03189	0.9
160.01627	2.2
161.02405	6.0
163.04015	59.6
164.04781	10.1
165.05684	0.7
175.03993	6.5
176.01239	2.2
177.05559	9.7
178.02719	8.1
179.03519	1.9
179.07156	2.9
190.02736	7.6
191.03528	5.7
191.05548	0.9
192.04243	2.0
193.05077	11.6
194.02261	1.0
198.64554	0.5
201.11491	0.8
205.05074	19.0
207.06630	1.0
208.03757	2.6
209.04568	3.0
221.08180	0.6
223.06133	11.5
251.05629	0.7
253.05048	6.1
323.07687	4.2
337.09204	3.6
353.08777	5.1
361.53033	0.6
367.10385	40.1
406.93063	0.5
531.15161	43.2
531.27698	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04530	0.7
72.79026	0.9
106.71579	0.9
119.05019	100.0
127.64861	0.8
140.94096	0.8
145.02904	1.7
149.02460	1.5
150.03201	4.2
153.73010	0.7
163.02635	1.9
163.04013	56.4
164.04791	5.1
165.05574	1.5
173.32895	1.0
175.00377	1.8
176.01161	14.4
177.05574	21.4
179.07193	1.3
187.52415	0.8
190.02748	21.5
191.03505	30.6
194.02238	1.8
197.52547	0.8
205.05069	34.1
208.03607	1.0
209.04561	7.0
209.06349	0.9
223.06126	4.8
280.07870	0.9
338.06680	1.2
353.08850	15.0
367.10428	18.1
531.15167	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	1.3
91.72842	0.6
101.02420	0.7
102.89586	0.5
113.02460	1.1
119.05019	89.5
119.16216	0.5
121.87966	0.6
149.02444	1.2
158.15269	0.6
163.04010	100.0
164.04828	5.3
175.00377	2.8
176.01102	1.0
177.05589	3.6
179.07123	1.2
190.02727	33.9
191.03531	4.6
191.05489	1.1
193.28960	0.7
205.05063	43.5
208.03748	0.9
209.04573	0.8
223.06181	5.1
232.17227	0.7
353.08835	3.9
367.10361	23.9
369.08252	0.6
433.98965	0.7
531.15179	62.4
531.22974	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.0
71.01363	3.5
72.07219	0.7
73.02935	3.5
83.01384	0.8
85.02946	3.2
87.04514	1.9
89.02448	1.1
93.03459	5.4
96.99303	4.5
101.02442	4.0
103.04002	14.6
103.79745	0.7
105.01913	1.0
108.02209	1.0
113.02454	6.6
115.03984	3.7
118.84100	0.8
119.05006	5.5
123.04532	10.0
127.03964	1.0
134.03723	4.0
137.02428	1.0
137.31743	0.7
143.05003	7.2
145.05029	3.8
146.03754	1.5
147.04507	4.1
149.06000	1.0
154.86285	0.8
158.03745	1.7
159.04491	3.0
161.04561	1.3
161.06145	1.5
163.04010	8.1
173.04565	4.6
173.06006	2.2
178.02744	1.1
191.05618	19.3
193.05078	5.1
241.08736	3.9
251.07155	8.5
252.07965	5.4
253.08800	0.9
254.09569	5.0
263.07068	0.9
265.09216	0.8
267.10291	1.2
279.06613	1.5
280.07443	13.8
295.09787	12.6
324.06555	3.4
326.25092	0.8
339.08701	4.4
357.09848	100.0
531.15344	6.4
531.28766	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97166	0.5
59.01374	2.6
67.01889	2.3
69.03442	0.7
71.01379	3.3
78.59411	0.6
79.24382	0.7
85.02937	0.8
87.00880	1.2
92.23178	1.0
93.03445	23.1
105.03439	1.1
109.02960	0.8
111.00861	0.8
111.04519	5.9
111.09978	0.6
113.02450	0.7
130.34225	0.6
133.02959	24.8
133.03859	0.9
134.03740	3.1
135.04550	4.3
137.02443	6.0
149.06206	0.7
155.03491	3.8
160.01654	3.0
161.02467	3.2
173.04549	100.0
177.01901	8.7
178.02747	4.0
179.03496	4.1
179.07162	1.0
191.05627	16.0
339.08810	2.6
351.07224	13.6
357.09882	5.2
428.64825	0.7
531.15350	20.3
531.27924	3.0
536.70886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76973	0.7
63.25024	0.7
66.80224	0.8
71.01370	1.1
72.03626	0.7
85.02943	5.3
87.00867	3.0
93.03446	13.5
96.99298	3.9
101.02444	1.0
111.04506	3.2
115.04041	0.7
115.16574	0.9
119.05016	7.2
121.12882	0.8
123.04515	9.5
127.04064	1.0
133.02940	1.1
134.03735	4.5
135.04616	0.9
137.02415	1.3
143.05020	10.5
147.04482	1.1
149.06064	2.0
155.03542	1.2
159.04492	3.8
161.06123	1.5
163.04022	9.5
173.04576	13.8
173.06030	3.6
175.04086	1.1
179.30275	0.8
191.05634	74.2
193.05064	8.4
194.44238	0.9
226.06419	1.4
229.01492	1.2
241.08748	3.6
251.07094	7.8
252.07867	6.6
254.09555	5.5
267.10275	3.5
280.07437	17.4
295.09729	19.3
313.10953	3.8
324.06448	3.5
339.05020	1.5
339.08810	6.5
357.09845	100.0
531.15179	41.7
531.22528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98927	0.8
59.01369	1.0
64.76745	1.0
71.01379	45.4
84.64598	1.1
90.67642	1.2
115.00359	100.0
115.03960	1.8
124.71867	0.9
282.09747	1.2
338.05057	1.3
352.15244	1.1
369.07635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.59616	0.1
59.01381	0.7
63.72728	0.1
69.03458	0.2
72.00079	0.2
83.05038	0.2
85.02950	1.4
113.02448	100.0
115.03900	0.1
177.31154	0.2
330.62476	0.2
467.45447	0.2
482.77014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87428	0.6
54.32787	0.9
59.01374	4.5
67.79610	0.8
71.01389	1.1
84.52943	0.7
85.02976	0.9
89.02428	0.8
95.78156	0.8
101.02436	0.8
102.98107	0.7
107.24940	0.7
113.02541	0.7
115.03997	1.1
123.00892	4.1
128.62376	0.7
138.03220	17.4
153.05563	14.6
166.99864	5.1
182.02214	76.2
191.30705	0.8
197.04567	100.0
295.04465	0.9
308.05652	1.3
309.06116	5.1
310.06717	3.0
324.08838	6.3
325.09158	20.3
367.49448	0.9
368.07498	1.4
369.07840	1.3
433.13553	77.4
447.13397	0.9
531.12170	5.5
535.43750	0.8
537.82214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06859	0.6
54.62174	0.6
55.92764	0.7
59.01361	2.6
59.66885	0.7
62.94351	0.7
71.01363	1.0
89.02437	0.9
108.44210	0.7
113.02423	0.8
115.03992	1.6
123.00877	4.0
138.03232	19.4
145.99837	0.7
152.44724	0.7
153.05573	16.9
166.99873	7.0
182.02217	83.3
197.04570	100.0
216.40643	0.8
433.13577	77.8
444.66992	0.8
447.09021	0.9
531.17175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60742	0.8
53.32726	0.7
59.01381	100.0
69.93348	0.8
71.01376	55.3
71.52041	0.8
72.99281	1.6
73.02934	1.2
85.02943	10.4
87.00866	2.3
89.02436	74.6
92.23083	2.0
95.01381	5.4
101.02434	29.4
104.22981	0.9
108.44868	0.8
113.02439	25.2
119.03487	23.5
131.03516	1.7
143.03508	5.7
155.89122	1.0
161.04543	6.7
163.72897	0.9
179.05615	26.7
286.46628	0.9
411.14575	1.8
471.16302	1.3
531.10809	2.0
531.18719	42.2
531.27600	3.8
541.19324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.00551	1.4
59.01381	100.0
60.89006	1.2
61.98837	2.4
70.20362	1.4
71.01008	3.1
71.01377	59.3
73.02942	1.4
85.02941	9.6
87.00858	3.3
89.02435	73.7
89.79939	1.3
94.34991	1.7
95.01369	3.8
95.14151	1.3
101.02438	35.1
106.55587	1.3
113.02448	23.0
119.03493	26.7
121.24895	1.4
131.03453	2.1
135.03143	1.4
143.03494	6.3
149.04582	1.9
161.04543	6.2
174.01945	1.7
179.05609	28.0
339.08643	2.4
348.30298	1.6
453.85095	1.6
531.18689	36.8
531.26758	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07960	1.3
56.47031	1.3
59.01380	100.0
63.54771	1.5
65.57558	1.5
71.01377	61.1
71.01774	2.2
72.99313	2.0
73.02940	1.7
82.08618	1.6
85.02947	11.0
87.00877	1.9
89.02436	75.5
95.01359	6.3
101.02431	34.8
111.00850	2.8
113.02440	25.2
119.03479	29.0
128.29918	1.7
131.03532	2.3
131.04526	1.8
143.03496	3.3
161.04575	7.9
179.05627	27.3
193.03069	1.7
197.04216	1.8
411.14737	2.8
531.18646	38.7
531.27954	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65329	0.3
59.01365	0.6
68.51362	0.3
68.83801	0.3
71.01387	0.4
79.95731	0.4
89.02416	0.4
92.22505	0.5
93.20211	0.4
96.96002	100.0
116.74749	0.4
120.80235	0.4
126.88361	0.4
146.20094	0.3
157.08740	0.8
173.04578	0.9
191.05598	0.7
243.67201	0.4
339.05093	0.4
357.09943	1.4
405.37808	0.4
528.30328	0.4
547.11725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54269	0.8
59.01377	10.5
61.98839	1.2
64.27357	0.9
75.00832	1.0
103.04007	1.7
117.09419	1.0
133.05069	7.0
171.10306	1.8
171.32285	1.1
172.08751	1.1
197.11720	1.5
211.13448	1.4
257.19156	1.7
287.20267	1.8
293.21262	2.4
302.63071	1.1
311.22263	10.4
315.19672	11.5
329.23215	1.2
333.20758	100.0
371.24402	9.1
531.23389	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.43486	0.5
59.14048	0.5
64.09312	0.5
88.89788	0.7
97.06575	5.0
118.63624	0.7
123.08156	1.1
125.09713	100.0
128.51073	0.6
135.37311	0.7
143.10744	1.3
169.08670	3.4
170.11960	0.7
187.09767	81.3
228.34779	0.7
261.09012	0.6
285.13580	0.8
361.07220	0.7
513.23364	0.7
531.24512	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	82.8
71.01376	55.5
73.02929	15.4
82.95415	2.7
85.02950	4.8
87.00861	1.9
89.02436	100.0
99.00867	3.4
101.02444	42.8
109.80289	1.9
111.54520	2.3
113.02422	18.1
119.03475	8.7
119.62292	2.1
131.03471	23.4
149.04536	51.1
179.05630	7.8
191.05614	10.4
213.08150	2.1
250.95898	2.1
251.07814	2.5
255.72589	2.6
293.08829	2.6
311.09848	9.6
326.55524	2.6
471.22327	11.6
531.18604	4.4
531.27747	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57051	1.2
59.01382	59.2
63.16168	1.2
71.01376	36.3
72.43076	1.2
73.02943	6.1
85.02979	4.9
89.02435	72.8
92.60541	1.3
97.02951	1.7
101.02438	29.6
113.02422	13.8
119.03477	12.6
131.03520	13.0
136.46964	1.5
138.63422	1.3
143.03537	1.7
145.17065	1.3
149.04524	14.7
179.05594	3.5
190.69377	1.7
191.05644	8.7
246.00189	1.7
279.67578	1.5
334.61053	1.7
339.18216	11.8
468.05930	1.5
471.22385	100.0
495.26035	2.1
531.29089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16373	0.8
59.01384	50.4
68.23003	0.9
69.75139	1.1
71.01381	32.0
71.53664	0.9
72.99303	1.0
73.02936	5.7
74.91665	1.0
85.02959	4.7
86.88957	1.0
89.02440	63.9
99.00909	1.5
101.02444	24.1
113.02461	16.3
119.03488	11.8
131.03485	9.0
137.58170	1.0
145.64282	0.9
149.04541	13.6
161.04599	1.4
179.05629	2.1
191.05627	5.1
257.19601	1.2
339.18265	8.6
471.22412	100.0
531.26959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97248	1.2
68.09731	1.3
78.95898	30.3
85.43196	1.5
89.42371	1.3
93.63447	1.5
96.96946	2.7
126.72421	1.4
152.99597	100.0
211.86514	1.4
279.23422	6.2
280.84805	1.4
427.54077	1.5
433.23676	45.2
531.26764	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2736
Annotation	Hanburin
Peak:m/z	Relative Intensity
59.01379	35.4
94.86234	7.9
99.93766	9.1
113.71149	10.0
120.85537	8.0
121.38333	7.7
125.09696	9.0
152.67673	8.9
187.09767	12.0
225.11305	18.3
471.22104	12.0
531.27557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98819	12.6
85.46210	9.8
116.15736	11.7
156.40504	11.4
279.23471	14.2
283.12561	13.1
350.93405	15.5
519.31964	16.7
531.31171	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2817
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.77386	0.4
59.26833	0.5
67.20848	0.5
69.32632	0.5
69.89082	0.4
70.53680	0.5
71.01370	4.0
73.02950	0.7
78.87475	0.5
83.31912	0.5
85.02943	2.2
89.02462	4.1
91.01959	0.4
95.62194	0.5
101.02428	6.4
102.19349	0.5
113.02441	2.3
115.04018	0.7
115.14086	0.5
119.03476	2.2
156.74237	0.6
165.75798	0.5
173.98904	0.5
191.05650	2.5
199.09763	0.6
238.53769	0.6
315.07947	0.6
351.21808	10.5
369.22821	14.6
369.37305	0.7
531.28253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66801	1.0
59.01374	4.4
71.01379	2.6
72.63174	1.2
73.16063	1.0
89.02435	2.7
101.02464	4.5
101.25027	1.1
124.11861	1.0
152.99660	1.5
161.04517	1.6
178.88985	1.5
185.94394	1.3
195.13921	21.7
253.09311	23.1
277.21762	24.7
295.22809	100.0
326.52118	1.2
479.84018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
71.01369	3.5
89.02436	4.1
101.02437	5.2
109.89043	0.6
113.02451	2.6
118.57761	0.7
119.03464	0.8
139.11288	2.2
139.29457	0.5
155.10783	6.3
161.04544	1.3
171.10268	2.5
174.33408	0.7
183.10265	46.9
186.00378	0.7
195.13905	1.4
235.08379	0.7
253.09309	19.9
265.18079	6.2
267.94852	0.6
277.21777	10.4
295.22809	100.0
531.31995	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3179
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
53.40764	1.7
59.01371	8.4
71.01369	3.7
75.00874	10.6
85.02945	14.1
89.02466	2.2
95.01395	2.1
99.00883	7.2
113.02450	13.3
117.01953	1.5
130.03665	1.3
137.84673	1.5
151.03987	8.6
152.24274	1.4
175.07964	1.6
249.06189	6.6
270.93713	1.5
281.24869	84.6
531.31757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18060	0.4
54.57915	0.4
59.01377	4.7
61.98857	0.7
68.34342	0.5
71.01382	3.4
73.02935	0.6
83.01397	0.5
85.02930	0.8
87.00885	0.5
89.02444	4.5
99.08153	0.7
101.02427	5.1
104.24723	0.5
104.93375	0.5
113.02441	1.3
119.03530	1.0
125.09740	0.6
137.74884	0.5
139.62592	0.5
142.40857	0.6
161.04494	1.0
171.10271	33.0
175.51825	0.5
229.04416	0.7
253.09296	21.1
277.21735	49.9
295.22797	100.0
397.76431	0.6
531.31860	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15511	0.4
54.66180	0.5
59.01381	4.8
60.94787	0.4
71.01367	3.7
89.02432	2.4
93.12996	0.5
94.98077	0.4
101.02451	4.6
113.02436	2.7
119.03496	0.7
158.87094	0.5
161.04550	2.1
171.10255	5.7
173.85579	0.5
178.62471	0.5
179.14299	0.5
181.12334	0.6
195.13911	19.0
225.77744	0.5
229.18439	0.5
253.09315	24.3
277.18640	0.8
277.21722	27.6
295.22803	100.0
419.12564	0.6
517.09296	0.5
531.31573	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29166	1.1
59.01385	8.6
61.23679	1.0
71.01053	1.2
71.01382	9.8
71.02530	1.0
75.00866	9.3
79.41558	1.0
85.02953	13.4
87.00887	4.6
88.98757	1.4
89.02444	2.3
92.22459	1.7
95.01408	4.9
96.96039	1.6
99.00868	8.4
113.02440	19.2
117.01887	1.6
131.03384	1.1
133.53989	1.3
171.10265	5.5
232.48834	1.4
249.06122	1.6
251.06088	2.1
267.07300	1.9
281.24872	67.9
285.30081	1.4
313.28870	1.3
381.50241	1.6
508.34052	1.3
531.31842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71319	1.1
52.95765	1.2
54.23188	1.2
56.43463	1.1
56.44756	1.2
56.53586	1.7
59.01380	6.6
64.33607	1.3
71.01379	3.1
75.44808	1.3
82.92278	1.2
87.62918	1.3
88.40854	1.3
89.02426	1.7
101.02460	5.4
102.47742	1.3
113.02453	1.5
120.18518	1.6
140.55179	1.3
152.99582	2.2
183.10278	7.4
183.13907	68.7
253.09299	24.9
277.21686	8.7
295.19458	3.3
295.22791	100.0
531.31995	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64682	2.6
59.01368	3.4
61.98831	3.7
67.22812	2.9
90.29942	3.0
93.14915	3.3
101.10890	3.3
119.68602	3.4
128.72368	2.8
130.46060	2.9
155.10782	43.5
171.10301	3.1
183.10254	16.0
184.55820	3.2
195.13907	14.0
250.51357	3.4
253.09277	16.5
265.18112	99.1
277.21716	27.3
295.22754	100.0
299.61285	3.8
531.26703	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.9
64.42358	2.3
89.02407	2.7
97.06596	3.4
116.44728	2.9
118.81916	2.7
121.10203	22.0
143.07127	51.3
154.70901	2.5
171.10278	16.5
192.64967	2.6
203.18095	9.8
214.80836	2.6
223.82458	3.1
247.17027	60.6
253.09351	12.5
265.15491	5.0
265.18127	100.0
277.21771	25.6
295.22797	50.2
309.20712	2.7
399.49817	2.6
430.17664	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3696
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
55.16619	1.7
57.41537	1.7
59.01381	100.0
61.98825	3.0
88.10469	2.2
97.11903	2.2
418.33224	2.4
471.34802	10.5
531.86115	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95728	1.3
81.61916	0.2
87.10910	0.3
96.96001	100.0
229.60916	0.3
237.37233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84172	0.5
56.62317	0.4
59.01381	0.5
62.62213	0.5
70.76894	0.4
73.66911	0.5
75.76120	0.4
80.98045	0.4
84.85498	0.4
93.63209	0.6
107.00652	0.5
144.04517	5.2
146.03741	0.9
160.02911	0.6
160.04037	5.4
162.05595	11.7
163.02789	0.4
188.03613	0.6
201.59587	0.5
252.06635	1.7
263.78052	0.5
268.06210	3.2
278.04471	0.9
280.06198	8.8
282.07663	0.7
283.08652	1.1
294.07739	2.0
295.04834	1.1
296.05640	23.7
310.07227	15.2
311.08020	13.1
324.10876	2.5
326.10370	100.0
352.08401	0.8
370.09387	15.5
408.59537	0.5
425.71524	0.6
532.14618	18.9
550.20325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37020	0.5
51.66261	0.5
52.68273	0.6
59.01382	0.8
61.50888	0.6
70.72325	0.6
76.01048	0.6
77.89767	0.7
93.86459	0.6
127.03949	0.8
144.04568	6.4
160.04008	3.9
162.05634	9.3
166.87585	1.0
178.01463	4.1
191.05482	1.5
192.05965	0.9
252.06789	1.2
256.97064	0.9
260.49805	0.8
268.06165	2.9
280.06128	8.8
283.08112	0.8
294.07617	0.8
295.04926	2.6
296.05634	23.0
299.09045	1.0
310.07251	12.2
311.08057	14.8
324.11386	1.1
326.10355	100.0
347.67746	0.7
370.09363	18.3
464.90701	0.8
488.15137	0.9
532.14642	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48198	0.9
56.92326	0.9
73.64902	0.9
81.99312	1.0
116.92859	21.7
117.92828	8.5
153.84032	1.0
162.05746	1.3
172.85405	1.3
177.00613	1.8
191.02206	10.0
192.03073	2.5
205.00211	5.4
206.02744	2.2
206.04585	38.9
219.01761	1.4
220.02512	31.9
223.01218	15.9
234.04094	28.3
251.00755	1.6
296.05597	2.1
326.10425	6.4
327.07526	22.4
335.68152	1.2
342.09833	28.6
355.07144	11.5
370.09372	100.0
532.14746	17.8
549.39301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92656	0.5
55.77487	0.6
82.21442	0.7
103.39965	0.7
124.83521	0.6
127.52927	0.7
144.04553	4.4
160.04002	5.9
162.05589	10.6
164.00362	0.6
166.08656	0.6
188.03476	1.0
193.92300	0.7
252.06752	1.0
268.06201	3.0
280.06219	9.8
282.07846	0.7
283.05914	0.9
283.08682	1.0
293.07092	0.7
294.07953	0.9
295.04892	1.5
296.05685	23.4
299.09442	0.7
310.07239	15.8
311.07993	12.3
314.85599	0.7
324.11087	2.2
326.10373	100.0
352.08118	1.3
370.09360	15.4
483.04547	0.7
505.40695	0.6
532.14740	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
64.17873	0.3
139.09001	0.4
144.04575	5.0
145.32979	0.4
160.04050	4.6
162.02045	0.5
162.05612	10.0
188.03557	0.6
193.01515	0.4
229.82703	0.4
252.06696	1.9
268.06171	3.4
280.06131	10.1
282.07794	0.8
283.08789	0.9
293.06943	0.5
294.07813	2.0
295.04959	2.0
296.05667	23.6
299.09152	0.5
310.07230	14.7
311.08032	14.8
324.10904	2.2
326.10379	100.0
352.08295	1.0
370.09402	13.1
390.46216	0.5
488.15717	2.0
511.25131	0.5
532.14764	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33802	0.5
61.98833	100.0
62.72427	0.4
66.25634	0.4
84.06239	0.5
106.18444	0.5
130.95262	0.6
175.02710	0.9
191.74261	0.5
226.20360	0.5
319.47516	0.5
326.10577	0.9
358.65894	0.6
370.09567	2.3
372.00757	0.6
532.14960	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00503	0.6
58.64888	0.7
59.01396	0.7
61.98833	100.0
66.30830	0.7
72.99313	0.9
108.70081	0.8
113.48592	0.8
122.67697	0.9
199.76270	0.8
208.69812	0.9
352.82806	0.9
380.04327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60666	0.5
54.17350	0.6
61.98832	100.0
62.21609	0.6
64.87409	0.6
66.16133	0.5
92.23027	0.7
116.69026	0.6
130.44136	0.6
132.26173	0.7
274.33264	0.7
496.08701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70451	0.4
59.01380	3.9
61.98833	100.0
73.45193	0.6
97.82391	0.5
169.03130	0.5
217.54518	0.5
237.52815	0.5
237.93184	2.0
330.60538	0.6
380.90335	0.6
399.98544	1.9
413.16541	0.6
532.28485	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65415	0.8
55.71312	0.7
56.04470	0.7
56.90920	0.8
60.61529	0.7
67.01931	0.8
77.35266	1.1
85.02940	18.3
87.00864	30.3
111.00874	100.0
129.01968	7.3
140.89558	0.9
173.00909	3.5
191.01996	91.5
193.05424	1.0
206.04559	1.5
327.07538	1.0
370.09149	1.6
532.14642	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59013	0.5
51.44286	0.5
54.24519	0.7
56.07287	0.6
56.11984	0.6
57.03456	1.6
64.32072	0.6
76.33335	0.7
85.02940	18.5
87.00871	28.5
96.30325	0.6
103.03970	0.8
111.00877	100.0
119.78834	0.8
120.51083	0.7
129.01955	7.5
154.99869	0.9
173.00916	3.8
191.01999	86.5
191.05594	10.2
326.10400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78931	0.5
57.29861	0.6
67.06889	0.6
76.13644	0.7
78.95907	12.7
84.63815	0.7
119.98185	0.7
140.01166	7.6
152.99597	1.3
196.03844	8.6
214.04817	1.0
226.23987	1.0
235.74033	0.9
243.82652	0.8
283.86774	0.8
312.43942	0.8
335.25974	100.0
532.30554	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73406	1.3
52.90197	1.2
55.01884	1.4
58.34681	1.1
58.91782	1.1
59.01380	100.0
64.26840	1.0
73.02921	1.6
75.71537	1.1
78.75256	1.1
79.84832	1.1
83.01369	16.1
83.50784	1.0
84.67863	1.1
91.03957	1.6
91.58073	1.2
101.02425	2.7
108.85547	1.3
119.03514	1.5
139.67143	1.4
149.18124	1.3
168.24855	1.2
175.06102	7.7
193.07269	10.2
239.17560	1.3
255.23285	82.2
313.34528	1.6
413.29178	13.1
431.30237	35.7
458.34845	3.0
473.31192	50.2
532.31866	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01383	100.0
62.55688	1.1
73.02922	1.3
83.01379	10.7
83.93353	1.1
90.99905	1.2
91.04001	2.7
92.23157	2.0
95.34706	1.2
101.02456	2.7
115.34998	1.5
157.05077	5.7
175.06097	27.5
187.53976	1.6
193.07217	6.2
255.23311	95.4
319.79880	1.6
334.36325	1.5
413.29065	16.4
431.30194	45.9
458.35184	4.8
473.31250	51.6
526.27844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19810	0.4
51.37398	0.4
59.01398	0.9
68.27497	0.5
72.99308	0.7
84.23358	0.5
85.02950	3.1
86.11625	0.5
87.00906	0.7
87.27793	0.5
90.14219	0.5
111.04488	0.5
127.04036	0.8
130.08749	5.4
135.04510	3.2
153.68538	0.5
165.05614	2.1
173.04549	1.8
179.03516	10.1
191.05637	100.0
197.04575	3.0
205.43033	0.5
214.25182	0.5
216.74133	0.5
240.17125	0.7
280.00247	0.5
303.89954	0.5
313.32773	0.5
327.27655	1.9
341.08694	3.6
345.60846	0.5
359.09848	2.7
371.26709	2.1
397.44916	0.6
443.28857	1.0
514.82251	0.6
533.32007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18363	1.2
59.01377	1.4
60.99327	1.8
61.59321	1.3
62.83125	1.1
67.01875	2.5
71.01362	2.9
72.99296	14.6
73.53334	1.1
76.40659	1.2
82.71489	1.4
87.00874	14.4
93.03451	43.7
111.04499	8.8
123.04544	2.3
135.04500	2.0
151.03931	1.5
155.03510	2.8
159.09483	1.5
173.04550	37.8
173.05949	1.5
179.03474	21.1
190.74937	1.3
191.05611	3.3
197.04565	72.8
246.45084	1.3
314.81467	1.4
348.21841	1.3
359.09790	2.3
371.09671	2.6
533.15155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32784	0.3
56.24054	0.3
59.01372	0.5
67.10647	0.3
72.99303	2.4
85.02943	3.4
87.00870	0.4
93.03472	0.6
106.51207	0.4
121.13151	0.3
127.04015	1.5
127.31496	0.4
128.03667	0.3
129.01912	0.4
135.04562	2.6
166.45168	0.4
173.04543	2.0
179.03519	10.2
191.05637	100.0
197.04546	5.6
228.24294	0.4
240.06670	0.4
294.45886	0.4
341.08823	3.3
359.10004	4.6
391.04321	0.4
415.84686	0.4
527.54865	0.5
533.15601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71741	0.4
64.27787	0.4
67.23505	0.5
76.54809	0.4
78.95895	8.2
91.00616	0.5
100.32107	0.5
120.41028	0.5
131.71632	0.5
145.83838	0.5
152.99586	5.1
164.90498	0.6
178.88420	24.2
178.90022	0.9
179.89192	4.3
180.90002	10.9
196.89500	100.0
206.26257	0.5
260.66425	0.6
314.39758	0.5
533.16205	34.5
533.29175	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65346	0.6
70.12460	0.5
71.71301	0.6
78.95898	11.3
98.95544	0.8
116.92812	0.8
120.84239	0.6
152.99567	12.4
178.17155	0.6
178.88426	22.8
179.89175	4.1
180.90007	11.4
196.89500	100.0
234.90916	0.8
280.23526	0.7
343.71957	0.7
352.88678	0.7
496.98541	0.8
515.14728	0.7
533.16150	32.7
533.29340	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28790	0.4
78.95892	8.4
96.96992	0.6
116.92854	0.8
149.90604	0.4
152.99573	5.7
178.88423	11.9
179.89264	4.9
180.90004	9.9
196.89502	100.0
234.87071	0.4
234.91177	0.5
305.24979	2.6
353.86435	0.4
367.10159	0.4
515.15186	0.7
533.16235	31.4
533.28326	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43172	0.3
53.29649	0.4
55.48265	0.3
59.01380	0.6
61.98840	0.5
64.15186	0.4
71.73399	0.4
78.95885	7.5
86.77430	0.4
88.34415	0.4
90.26579	0.4
96.96951	0.4
98.95583	0.7
139.81761	0.4
152.99599	0.8
178.88441	10.4
179.89209	4.6
180.89987	8.6
196.89497	100.0
204.89842	0.5
279.23343	1.8
305.24976	1.4
515.15759	0.6
533.16180	30.8
533.29260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53650	0.3
69.78261	0.3
72.83456	0.3
78.95889	10.6
97.27709	0.3
99.92574	0.5
116.92844	1.5
149.41417	0.4
150.98048	0.3
152.98306	0.4
152.99583	13.3
168.11639	0.3
178.88429	16.0
179.89211	4.5
180.89996	11.6
194.87970	0.3
196.89496	100.0
249.31561	0.3
412.53629	0.4
515.15161	1.3
533.16174	29.9
533.28217	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1673
Annotation	Amurensin
Peak:m/z	Relative Intensity
59.01381	29.2
71.01382	14.7
75.00855	5.0
89.02449	12.4
95.32143	2.7
101.02450	7.0
103.00382	4.1
103.03996	6.3
113.02442	4.2
114.41901	2.8
120.99626	15.9
123.00871	5.5
123.04533	3.2
137.02425	6.1
158.75766	2.9
161.02438	3.9
163.04033	5.7
174.03236	3.6
176.04788	3.8
191.07150	15.4
204.04306	4.6
205.05000	38.9
235.06126	4.1
316.92395	3.6
323.05789	4.5
323.09460	4.5
338.07983	14.6
341.10312	12.5
353.10434	27.7
356.09152	37.0
371.11374	100.0
380.09265	3.6
395.11377	17.7
443.13510	6.8
455.13455	6.5
473.14471	17.5
479.45648	3.5
533.16693	89.6
533.25610	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1673
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
50.69674	0.6
50.70353	0.6
57.30198	0.6
67.87118	0.7
69.48828	0.7
74.54330	0.7
89.35557	0.6
92.23148	0.9
98.00103	0.8
101.07091	0.7
104.58102	0.8
104.89500	0.7
108.02172	1.2
111.00879	1.2
121.89101	0.8
123.00901	6.0
123.04500	1.6
124.01653	4.5
136.01663	3.6
161.02397	3.1
163.03975	2.8
175.03987	5.8
176.04839	6.5
177.05522	1.0
189.01920	1.3
190.02678	5.6
191.03566	1.2
191.07100	6.5
204.04352	6.2
205.03279	1.4
205.05081	30.9
208.03693	1.0
235.06227	1.5
312.10104	3.6
327.08749	2.6
327.12491	3.8
338.07849	1.3
341.06650	3.6
353.10593	0.8
355.08307	4.0
356.09033	35.9
357.09860	1.5
371.11392	100.0
374.41214	0.8
431.81470	1.0
462.14975	0.8
533.16711	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28777	0.1
59.01397	0.2
61.51999	0.2
61.98750	0.2
62.91098	0.2
67.11297	0.2
72.88967	0.2
74.37460	0.2
85.02959	2.4
87.00858	0.4
93.03445	0.4
111.04500	0.5
127.04000	0.9
170.87186	0.2
173.04507	0.2
174.61557	0.2
191.05630	100.0
254.38078	0.2
533.17175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
64.20846	0.2
72.06441	0.2
72.39447	0.2
76.91275	0.3
77.01789	0.3
84.58572	0.2
85.02956	1.8
87.45902	0.3
93.03456	0.4
117.35650	0.3
127.03985	0.4
166.38785	0.3
173.04498	0.6
191.05627	100.0
213.51996	0.4
315.34583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54047	0.2
80.40029	0.2
85.02938	1.9
87.00881	0.5
93.03432	0.5
93.80658	0.3
111.04508	0.3
127.04021	0.5
173.04520	0.6
174.27739	0.3
191.05620	100.0
197.04553	0.5
277.90274	0.3
364.08893	0.3
506.80045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.4
66.57719	2.6
71.01376	32.0
73.02952	13.4
73.71186	2.9
78.13772	2.9
79.72736	3.0
85.02953	5.3
89.02454	5.3
99.00883	13.0
101.02443	29.0
113.02438	25.8
119.78159	3.5
122.79074	3.3
125.02464	3.1
137.92937	3.2
143.03551	3.5
161.04597	26.1
269.10358	6.2
274.92105	4.1
362.23389	3.0
401.14548	18.3
533.18890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78745	0.8
59.01378	9.2
67.87241	0.8
71.01384	6.5
71.60479	1.1
73.02953	0.8
78.21875	0.9
85.02950	1.1
87.00869	0.9
89.02460	7.8
95.80978	1.0
97.23942	0.9
99.19550	0.8
101.02439	4.1
113.02432	1.5
119.03501	4.6
142.41521	0.9
147.02945	1.5
147.04430	1.3
147.06621	1.1
149.02417	9.6
164.04793	29.4
165.07669	5.1
175.00314	4.4
179.07162	4.5
181.63551	0.9
190.02742	51.9
191.03575	1.4
191.05652	3.5
205.05080	83.8
206.05945	1.9
208.03767	1.9
221.08264	5.9
223.06129	36.2
235.04468	0.9
235.68277	1.0
241.41786	1.0
265.07187	11.4
325.09631	1.2
371.09717	2.2
522.15814	1.1
533.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.9
59.01384	70.4
59.39049	1.0
59.40916	0.9
63.65923	0.9
69.03428	1.4
69.53210	1.1
71.01375	15.0
72.03428	1.1
72.99283	9.3
73.02918	1.6
85.02940	6.1
89.02441	28.9
92.23143	1.3
95.05022	1.3
97.02943	16.1
99.04511	1.3
101.02451	13.9
113.02443	8.5
113.06096	13.6
115.04004	100.0
119.03499	17.8
139.03966	1.3
143.07222	1.4
149.04492	1.3
157.05098	13.2
161.04558	4.7
164.07288	1.4
179.05620	24.7
187.06093	2.1
191.05608	2.3
191.93188	1.2
197.35950	1.3
213.07700	7.2
213.35948	1.1
353.10733	2.1
354.36343	1.2
359.20856	1.7
533.16968	2.0
533.25232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43827	0.5
58.85917	0.5
59.01382	12.1
59.03337	0.5
80.39090	0.4
90.14907	0.5
150.03220	17.4
158.80272	0.6
165.05566	100.0
168.43901	0.5
181.05122	0.9
191.05640	3.7
197.04514	1.0
213.07703	17.6
251.05527	0.7
260.98166	0.7
344.73849	0.6
375.13049	4.1
403.16660	0.6
447.69745	0.6
533.16461	0.7
545.20355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87453	0.7
57.03435	2.2
59.01384	22.9
65.95931	0.7
67.04800	0.7
71.01379	14.5
71.44778	0.7
73.02940	4.1
80.55058	1.0
83.05046	1.1
85.02935	3.9
85.04026	0.8
87.00860	7.1
89.02434	16.3
97.02979	0.9
101.02442	13.1
107.05041	3.8
111.00867	1.5
112.70664	1.0
113.02438	7.8
119.03494	4.6
121.05068	10.3
124.12010	0.9
135.04570	1.1
161.04575	3.6
161.09746	14.8
161.13339	4.7
163.11290	2.1
173.04485	1.2
175.33786	0.8
187.11261	13.4
189.09235	9.4
191.05678	3.8
205.12350	1.9
207.10289	3.3
235.06155	0.9
274.15085	0.9
279.06625	1.2
282.08932	1.2
283.10284	5.5
323.05658	3.8
334.43060	1.0
338.07996	4.7
341.10349	4.5
353.10358	12.2
359.20715	1.8
365.06998	1.1
371.11273	1.7
395.11469	3.6
413.12515	1.6
431.31104	0.9
442.88602	0.9
455.13278	1.1
473.14743	3.7
533.22485	100.0
533.29077	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2528
Annotation	ANTIMYCIN A (A1 shown)
Peak:m/z	Relative Intensity
59.01369	6.2
59.46733	0.9
109.16084	1.0
113.56734	1.2
129.43713	1.0
160.06645	1.0
179.69421	1.2
191.03749	1.0
203.79306	1.4
234.46521	1.1
266.88010	1.2
519.31641	1.2
533.25214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2562
Annotation	GV 150013X
Peak:m/z	Relative Intensity
50.45502	0.6
59.01344	0.9
61.78148	0.7
65.13613	0.6
72.08154	0.8
85.56458	0.7
87.00874	1.1
184.67174	0.8
223.88808	0.9
255.23450	1.0
364.98752	0.8
446.21173	6.6
447.25562	4.3
459.22098	4.1
460.22858	1.9
461.23505	1.2
473.23764	1.8
474.24304	76.2
485.42001	0.9
488.25623	1.2
489.19507	1.6
489.26678	54.6
533.25647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
54.54074	0.8
55.01879	1.1
59.01105	1.5
59.01384	32.6
71.01380	42.2
72.99330	0.9
73.02950	14.9
79.87727	0.8
83.01379	7.8
85.02956	18.6
87.00877	4.5
89.02436	18.2
95.01373	1.6
97.02917	1.8
99.00873	5.0
101.01779	1.5
101.02439	39.2
111.00897	0.9
111.59528	0.8
113.02438	23.8
115.04005	1.1
119.03497	7.0
125.02430	4.2
129.01956	1.5
143.03505	1.3
147.03015	2.0
159.02963	4.4
161.04515	9.4
170.30145	0.8
179.05592	3.3
187.37924	0.9
191.05690	1.2
209.15471	3.7
237.07652	4.3
261.19366	1.0
344.09976	1.1
366.89325	1.0
371.20801	14.2
435.22745	1.1
533.26111	100.0
551.42688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93353	0.8
59.01105	1.7
59.01385	36.3
61.98830	8.4
63.94427	0.9
71.01377	10.6
73.02954	3.9
83.01399	5.1
85.02946	6.9
99.00904	1.8
101.02435	14.8
113.02441	6.5
140.50330	1.3
189.23927	1.0
191.05489	1.0
192.22403	1.0
285.20724	4.1
429.25082	9.7
447.26083	50.8
474.02240	1.2
489.27158	100.0
503.65247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96174	2.5
59.01375	6.6
61.98836	2.9
67.52065	2.4
78.95867	2.5
80.09927	2.5
82.12642	2.4
96.95969	3.9
117.09860	2.5
128.61682	2.7
152.99608	6.9
160.05284	15.3
173.05904	3.3
173.26334	3.4
188.08458	10.5
202.10019	15.5
203.10802	38.8
215.10861	2.8
257.15482	6.2
258.16443	5.1
263.11087	2.6
271.17068	12.2
326.22583	100.0
327.23346	54.6
369.24316	3.2
440.13995	3.1
489.28955	20.0
510.25177	3.9
533.27795	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.5
59.01379	5.0
60.65430	0.9
62.09059	1.1
65.50500	0.9
103.87678	1.0
113.09722	28.1
127.55721	1.0
157.08701	100.0
170.53566	1.2
173.21664	1.1
267.68344	1.6
271.51733	1.2
284.70364	1.2
452.17822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.313
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
59.01379	1.6
60.77112	0.8
78.95921	1.0
82.56230	0.7
96.96021	0.9
97.62053	0.7
105.44231	0.7
121.02975	0.9
137.11179	0.8
159.27803	0.8
160.95334	0.8
175.22124	0.7
240.98186	1.0
326.82297	0.7
327.70895	0.8
345.60834	0.7
353.83307	0.9
393.28360	1.3
396.35883	0.9
407.29736	1.8
423.29361	0.9
441.30182	4.7
453.30246	5.0
469.30121	0.8
471.31137	19.9
485.29120	77.9
533.31293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.4
71.01354	7.2
72.99295	1.6
75.00853	9.9
85.02931	10.1
87.00864	3.5
93.97408	1.5
95.01360	2.2
99.00868	7.7
99.97923	1.5
113.02425	10.5
174.64442	2.1
194.69659	1.7
208.07861	1.9
249.06099	9.0
252.03757	1.9
283.26425	88.5
398.98395	1.8
439.61789	1.8
533.33270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62334	0.7
56.51538	0.5
59.01386	2.6
61.98840	1.2
65.66276	0.6
71.01382	1.3
79.78249	0.5
80.89475	0.6
89.02441	2.7
101.02427	3.3
113.02415	0.8
116.49405	0.6
123.34721	0.6
148.45488	0.6
155.10783	7.8
161.04536	1.2
171.10272	2.9
215.18034	0.6
215.89699	0.6
253.09279	12.3
279.23260	13.1
295.22940	0.9
297.24371	100.0
414.71552	0.6
533.33160	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28683	0.5
53.66361	0.6
59.91436	0.7
65.66198	0.7
67.01877	1.6
70.94866	0.7
71.01403	0.9
84.81974	0.7
85.49233	0.8
87.77307	0.9
92.23067	1.0
101.00669	4.7
101.02419	1.1
109.77883	0.7
111.00873	50.4
120.01241	100.0
124.01596	1.2
139.04007	1.3
144.99672	3.4
148.52629	0.8
166.32378	0.7
232.02824	3.5
300.18954	0.8
372.08698	0.9
413.10950	3.4
534.12952	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98833	100.0
71.01382	0.2
85.02981	0.2
86.91184	0.2
89.02460	0.3
89.30440	0.2
95.64778	0.2
96.67423	0.2
101.02467	0.3
102.55801	0.2
102.72054	0.2
113.02448	11.2
114.02776	3.9
115.02870	2.2
115.04002	1.0
116.03204	0.4
138.22125	0.2
141.86401	0.2
164.07243	0.3
444.08350	0.2
534.15228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37811	0.5
59.01385	0.5
64.61539	0.4
65.41253	0.5
68.08698	0.4
85.02937	2.5
86.99969	0.6
92.45872	0.5
93.03439	0.5
101.02438	3.2
101.38229	0.5
128.03529	44.5
162.86659	0.6
163.04010	0.7
180.05078	0.6
180.06660	25.7
191.05623	100.0
192.05978	4.0
200.05592	3.6
201.49249	0.5
252.08749	5.1
290.08939	4.6
342.11902	5.6
437.25970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93419	0.5
53.64011	0.4
58.83219	0.4
61.98809	0.5
64.67451	0.4
68.87639	0.4
78.95901	28.6
86.59097	0.5
96.96944	2.8
111.95615	0.5
147.21094	0.6
150.98001	1.1
152.99586	100.0
171.00645	1.1
253.40178	0.6
254.04488	1.3
279.23361	15.4
370.97974	0.5
378.62784	0.6
433.23752	4.7
534.28424	60.6
538.01129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00200	0.5
54.50897	0.5
57.10305	0.5
61.98813	1.1
65.72733	0.5
67.22897	0.5
78.95900	30.2
83.72526	0.7
94.40328	0.5
96.96968	4.2
98.21476	0.6
107.08855	0.6
112.61055	0.6
152.99590	100.0
171.00623	1.5
190.55521	0.6
208.93945	0.8
279.23303	15.0
359.71463	0.7
415.22589	0.7
433.23807	4.7
534.28418	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61127	2.0
53.46547	2.0
60.60413	2.0
78.95901	12.7
89.03923	2.1
122.22211	2.3
152.98328	3.9
152.99561	100.0
163.44946	2.7
205.24095	2.7
279.23343	4.5
440.16019	2.5
521.84204	3.0
534.28296	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	3.9
78.95900	28.0
78.96359	1.0
88.92057	0.8
96.96954	1.4
152.99590	100.0
158.70990	0.9
175.26772	1.1
190.79462	0.9
203.68730	1.0
210.05341	0.9
257.04129	1.0
279.23392	15.7
353.91995	1.1
433.23755	4.3
439.72589	1.1
534.28424	56.6
545.53400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34346	0.8
59.01367	0.9
65.03545	0.9
67.16272	0.8
73.02943	5.7
74.02471	10.0
75.04159	1.0
86.06084	1.0
100.04059	1.3
101.02435	7.7
111.96624	1.0
118.05080	6.4
127.77727	1.0
130.05043	1.7
152.65648	1.0
152.99484	1.9
223.20703	5.2
253.21860	8.8
354.26639	7.7
372.27585	100.0
382.37897	1.2
392.49219	1.3
444.29718	10.0
534.33380	1.3
555.61212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61541	1.3
59.01379	5.7
60.40698	1.1
69.72893	1.2
73.64653	1.3
76.87747	1.4
80.20247	1.1
98.46205	1.2
101.02410	1.3
112.57060	1.3
129.79800	1.2
213.49855	1.3
235.08394	1.7
249.24878	1.3
253.09268	11.4
255.23306	100.0
319.47437	1.3
385.77963	1.3
491.32410	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12376	1.9
55.35878	1.9
59.01386	94.7
59.01686	4.0
59.79150	2.1
62.08339	2.2
71.41533	2.6
74.02481	5.6
78.95892	2.8
81.41775	2.6
85.02930	3.0
87.00887	3.7
96.58360	2.6
96.96952	18.1
103.00369	45.1
103.03984	4.0
104.61300	2.9
108.02176	31.4
109.02975	20.8
112.04039	3.5
133.05063	56.9
143.04597	3.6
151.03978	3.6
152.01132	58.1
153.01941	38.4
155.04593	4.5
157.06210	3.0
175.06099	16.7
177.03444	3.7
191.05620	36.2
192.05954	10.4
193.06094	10.4
215.06760	4.9
219.05125	4.8
234.26816	2.6
287.95844	3.4
315.07242	100.0
437.12323	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1463
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
60.17257	1.2
61.00349	1.4
64.42405	1.2
71.01372	1.7
72.99303	64.9
75.83733	1.3
78.95898	1.3
80.19387	1.4
89.55635	1.5
92.23148	2.7
96.95990	16.3
108.54827	1.3
122.03658	1.9
123.04527	31.2
134.03706	2.9
135.04526	26.6
142.23349	1.4
142.42627	1.5
151.16379	1.6
160.01628	6.7
161.02432	22.6
166.63809	1.3
171.39465	1.8
175.03989	23.7
178.02832	1.5
179.01935	2.0
179.03500	57.9
190.02678	6.8
193.05106	8.5
197.04562	63.0
205.04996	6.4
211.06119	5.7
229.77843	1.7
301.98499	1.5
323.07938	5.8
337.09335	5.8
359.09805	6.0
491.15561	5.5
535.14618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92290	0.4
57.03442	2.5
59.01381	5.7
67.01891	1.2
71.01385	2.8
72.99317	0.8
73.02977	0.5
73.18783	0.4
76.32936	0.5
82.17828	0.5
83.01379	0.7
85.02950	3.0
87.00872	22.3
89.02444	2.3
97.02947	0.5
97.90255	0.5
101.02457	2.4
106.25230	0.6
111.00877	100.0
113.02453	1.0
129.01935	0.9
130.50626	0.6
149.02480	2.1
173.00929	6.8
173.04475	0.6
179.03496	0.8
179.86259	0.5
197.04567	1.0
491.25284	0.7
520.84491	0.6
535.16815	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85628	0.4
54.26371	0.4
54.33538	0.5
57.03450	2.8
59.01377	0.9
65.04594	0.4
67.71100	0.5
69.03454	9.7
71.01385	0.6
82.84164	0.5
85.02929	4.3
87.00868	1.0
99.00858	2.1
106.16816	0.6
116.01508	0.5
119.05132	0.5
119.50929	0.5
127.03992	2.1
129.01938	10.8
163.03966	1.1
175.02483	14.4
178.02626	0.7
181.05046	5.5
191.02072	5.9
191.05627	100.0
193.05058	0.6
197.04575	0.6
343.10471	6.9
359.09857	0.7
535.16553	1.0
537.38867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48739	0.6
56.56311	0.5
57.03457	0.9
58.48028	0.6
59.01380	1.4
66.31288	0.6
67.01889	1.0
71.01382	2.7
85.02931	1.2
86.79974	0.6
87.00869	3.8
89.02422	0.9
92.59525	0.6
111.00874	100.0
124.99677	0.7
129.01884	1.1
147.02997	4.0
173.00928	11.4
177.05499	0.9
183.53610	0.8
191.05618	3.9
241.14580	0.8
316.90616	0.7
328.73730	0.7
402.93561	0.8
524.16339	0.8
535.17078	7.9
535.24548	2.6
535.31610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98950	0.4
69.03429	0.8
71.01358	0.5
85.02915	3.0
93.03428	0.7
102.33979	0.4
113.02426	0.7
119.05161	0.4
129.01871	0.6
131.03500	3.6
163.04015	0.9
175.02467	5.2
181.05038	4.7
191.05623	100.0
197.04593	0.7
240.72574	0.4
273.80347	0.4
338.12741	0.5
343.10440	5.3
359.09866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92290	0.4
57.03442	2.5
59.01381	5.7
67.01891	1.2
71.01385	2.8
72.99317	0.8
73.02977	0.5
73.18783	0.4
76.32936	0.5
82.17828	0.5
83.01379	0.7
85.02950	3.0
87.00872	22.3
89.02444	2.3
97.02947	0.5
97.90255	0.5
101.02457	2.4
106.25230	0.6
111.00877	100.0
113.02453	1.0
129.01935	0.9
130.50626	0.6
149.02480	2.1
173.00929	6.8
173.04475	0.6
179.03496	0.8
179.86259	0.5
197.04567	1.0
491.25284	0.7
520.84491	0.6
535.16815	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47255	2.6
56.20532	2.1
59.01381	100.0
64.84275	2.6
71.01350	2.7
95.69187	2.9
100.30753	2.8
103.00356	40.4
103.03986	3.2
133.05077	66.2
175.06145	14.0
219.05142	2.5
535.16241	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23311	0.3
50.36700	0.3
58.49433	0.3
66.36606	0.3
72.62510	0.3
79.73450	0.3
85.02959	2.0
113.02445	100.0
203.62512	0.4
206.23218	0.4
282.01282	0.4
283.69556	0.4
284.88864	0.4
535.15820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79364	0.3
74.50514	0.4
75.71315	0.4
78.95892	6.1
95.54594	0.3
96.95974	0.6
97.89560	0.4
116.92828	1.4
120.79989	0.4
145.07928	0.3
152.99590	0.5
178.88431	10.9
179.89288	3.1
180.90007	9.6
181.91000	0.5
184.57964	0.4
196.89497	100.0
255.44414	0.4
281.24326	0.4
535.17761	30.0
535.34363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95014	0.6
61.85356	0.7
67.07201	0.6
73.13901	0.7
77.84567	0.7
78.95898	8.0
96.96001	3.4
98.75349	0.8
103.11770	0.7
105.00230	0.7
143.12521	1.0
152.99649	0.9
178.88419	11.3
179.89188	2.8
180.90021	8.4
196.89510	100.0
202.74071	0.8
267.53918	1.0
286.47189	0.8
310.72415	0.8
320.99985	0.9
535.17761	35.5
535.31201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91614	0.5
57.80258	0.5
63.66489	0.5
65.32616	0.6
65.48647	0.5
70.35571	0.5
95.00614	0.6
113.02458	4.1
114.09263	5.6
130.08748	0.8
158.08224	100.0
167.33350	0.7
200.59801	0.6
221.27863	0.6
267.37762	0.7
285.11163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.183
Annotation	Phellavin
Peak:m/z	Relative Intensity
52.61435	0.9
54.42934	0.9
54.52278	1.0
55.62648	0.9
57.59152	1.0
59.01371	1.8
61.52402	1.0
61.75634	1.1
85.02942	5.0
108.02186	5.1
109.02942	9.1
123.04526	14.2
151.04034	4.8
159.04483	1.9
160.05261	15.2
172.05302	7.9
173.06064	18.2
187.07587	1.3
204.04286	2.0
217.05060	41.0
219.06662	8.4
231.06648	24.4
237.07863	1.3
262.46878	1.2
281.08173	2.9
295.09793	1.4
296.10498	8.0
311.12982	8.7
340.09601	14.2
355.11868	39.9
373.12976	100.0
533.06354	1.3
535.18213	16.4
535.26385	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76581	1.3
59.01379	20.0
61.50773	1.5
65.00071	1.4
71.01363	8.8
79.71645	1.4
85.02917	2.8
87.00867	8.2
88.98856	1.6
89.02425	8.0
101.02425	7.9
107.30091	1.6
113.02438	1.4
131.03401	1.5
134.03738	2.4
147.04509	2.4
149.02417	9.7
161.06013	1.6
164.04794	18.7
164.07127	2.2
175.00375	7.4
176.01207	2.3
177.01907	3.2
179.07079	2.3
186.43884	1.6
190.02737	71.9
191.03476	3.0
194.65874	1.9
205.05075	77.9
206.05823	2.2
209.04543	2.5
211.48409	1.7
221.08195	2.9
223.06108	10.3
226.33797	1.7
255.26181	1.6
265.07260	2.5
304.26096	1.9
354.82773	1.8
373.16946	1.8
472.58707	1.7
499.20184	1.6
535.18268	100.0
535.31262	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.0
68.99557	1.4
71.01371	3.6
75.00893	0.8
83.81030	0.7
85.02950	3.0
87.00921	0.8
89.02444	3.8
94.71107	0.6
100.00871	0.7
100.23655	0.7
101.02449	4.8
104.90038	0.7
111.97559	0.8
112.98586	3.7
113.02414	3.4
117.03477	3.3
119.05049	3.4
121.02933	1.4
123.58960	0.7
127.61157	0.7
134.03712	6.0
135.04527	1.6
145.02950	41.1
148.33456	0.7
149.02431	6.6
149.06088	1.1
160.01660	13.7
163.04030	7.4
164.04810	14.2
171.10316	0.8
175.00394	3.9
175.04007	22.4
179.03511	0.8
179.07143	0.8
190.02740	50.6
191.03564	4.1
191.05457	0.7
193.05121	5.7
205.05077	45.9
207.06659	1.3
209.04565	3.6
221.08203	1.3
223.06160	8.5
251.05740	2.7
265.07150	1.3
311.07806	1.4
343.11768	0.8
354.57611	0.8
429.53357	0.7
535.18396	100.0
535.25671	21.8
535.31836	4.0
562.29553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Phellavin
Peak:m/z	Relative Intensity
53.74545	0.9
54.67994	0.9
55.88639	1.0
56.03632	1.1
59.01377	4.5
71.01383	5.8
85.02946	6.0
89.02451	1.9
92.63918	1.2
99.04485	2.4
101.02438	2.7
105.01945	1.3
109.02940	8.0
115.04019	2.5
123.04517	8.8
151.04034	1.5
159.04526	2.8
160.05273	8.4
161.04543	1.2
162.06900	1.4
163.03972	1.3
163.07661	5.2
165.05643	1.5
172.05292	6.5
173.06055	14.2
175.07613	2.3
181.05087	2.3
204.04382	1.7
207.06659	1.5
212.19759	1.3
217.05096	34.1
219.06595	7.2
231.06612	14.3
279.10858	10.3
281.08026	2.3
296.10416	9.0
298.97748	1.4
299.12741	1.5
311.12857	5.0
313.10764	2.8
340.09689	9.0
355.11902	23.8
373.12952	100.0
534.05316	1.4
535.17957	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1831
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
59.01400	1.5
60.11097	0.9
85.02921	1.0
89.02448	1.6
108.02162	5.3
121.02954	2.3
123.04557	4.5
135.04517	1.4
136.01682	1.9
136.05409	1.3
137.02452	6.8
148.05324	5.6
149.06023	1.1
150.03244	1.4
151.04016	6.0
155.96083	1.1
159.04530	1.8
160.05302	1.2
161.06070	1.5
163.07668	1.5
164.04790	1.4
172.05275	2.0
173.06075	7.0
175.03981	1.5
177.05615	4.3
178.06302	7.9
189.05730	2.0
190.06235	3.7
191.07353	1.2
193.08746	15.2
205.08786	12.0
214.27179	1.2
267.06631	1.4
281.08298	2.2
282.08981	2.2
284.10355	1.2
285.11514	1.2
295.06259	2.4
296.10632	7.8
297.11389	6.5
298.08658	1.6
307.09842	1.2
309.07684	5.3
310.08539	6.0
313.10901	23.9
325.10855	100.0
340.09650	2.6
343.11923	86.7
355.12015	5.9
359.15170	2.7
373.13022	26.6
380.48944	1.3
505.17249	7.9
535.18390	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1828
Annotation	Phellavin
Peak:m/z	Relative Intensity
59.01373	13.1
63.65597	0.9
66.53816	0.9
71.01380	8.0
77.79688	1.0
85.02959	1.9
89.01952	1.0
89.02425	8.5
101.02422	6.0
108.02157	4.5
109.02921	8.5
113.02418	4.3
119.03540	1.4
123.04518	12.8
148.05325	1.6
151.03996	4.1
159.04503	4.0
160.05283	22.6
162.03157	1.0
163.07660	4.1
172.05377	7.7
173.04630	1.8
173.06046	19.5
175.07568	5.3
187.07668	2.1
191.05545	1.1
193.08716	1.1
203.20364	1.0
204.04277	4.7
207.06621	4.6
217.05061	43.9
218.05811	1.4
219.06660	9.7
231.06642	22.0
237.07622	1.2
280.07666	1.1
281.08286	2.1
295.09836	1.8
296.10587	16.3
297.24237	1.0
311.12973	9.9
340.09592	14.8
355.11905	36.1
373.12943	100.0
535.18182	15.4
535.27698	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33364	0.9
59.01387	10.5
71.01372	7.5
73.02934	1.6
79.91473	1.0
81.83488	1.0
85.02985	1.3
89.02448	11.0
91.01863	1.0
101.02438	8.5
113.02434	5.1
117.03473	6.2
119.03500	1.7
134.03743	100.0
145.08730	1.1
146.03719	1.5
149.06104	11.4
160.01672	1.0
161.04539	2.2
163.04117	1.1
164.04756	2.4
173.11792	7.8
178.02681	3.9
179.05629	3.9
179.07143	8.6
193.05074	94.3
213.09189	6.2
221.06686	2.1
239.07089	7.1
295.06100	4.9
310.08698	2.0
325.10861	4.6
461.14737	1.0
475.22079	9.6
535.18427	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67524	1.1
57.09110	1.2
57.32166	1.1
59.01381	12.8
67.19599	1.4
70.42814	1.4
71.01377	7.0
79.34569	1.3
89.02431	10.5
101.02440	7.1
111.39752	1.3
111.77780	1.3
113.02415	1.6
114.65251	1.4
119.03495	7.6
131.03511	1.5
145.03006	3.1
175.04002	1.8
175.30542	1.5
176.01421	1.6
179.05568	9.0
193.05066	2.1
200.75142	1.4
203.33105	1.3
267.06641	23.9
271.19305	1.6
281.08167	27.1
295.09839	26.5
296.10516	17.1
325.07178	7.5
340.09537	96.7
355.11914	100.0
442.58194	1.7
535.18414	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1978
Annotation	Boehmenan H
Peak:m/z	Relative Intensity
50.57269	0.9
52.44432	0.8
58.45899	1.1
59.01383	1.2
61.98826	2.1
74.43735	1.1
78.95900	2.9
96.95997	7.7
114.43655	1.1
117.03447	1.9
123.04518	1.2
133.02966	7.7
134.03741	59.9
135.04510	12.9
136.01614	1.6
137.02422	6.1
147.04535	1.6
148.05328	2.0
149.06071	8.0
151.04059	1.8
152.99603	9.3
160.01646	10.4
161.02444	6.5
175.04010	14.6
178.02710	6.3
179.03546	18.8
193.05055	29.4
215.40144	1.4
527.47748	1.5
535.19800	100.0
535.27325	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60346	0.9
53.76665	1.1
54.45144	0.8
55.01878	1.1
59.01373	20.4
66.09129	1.1
71.01375	33.5
71.05016	1.6
73.02951	7.6
74.25864	1.0
77.35593	1.0
81.03466	12.7
82.95403	2.6
83.01406	1.5
83.02510	4.5
85.02940	19.7
89.02433	7.8
95.01382	1.6
97.02948	7.9
99.00859	2.6
99.04510	29.1
101.02439	23.3
108.22717	1.0
111.00857	2.5
113.02460	16.4
115.04003	36.6
117.05582	1.4
119.03517	1.5
123.04492	1.1
126.69520	1.1
141.25569	1.3
143.03494	1.1
151.03957	1.3
159.03006	1.6
161.04539	15.4
217.05022	2.2
222.18954	1.3
231.06660	1.3
279.10880	100.0
358.10339	1.8
373.13019	13.9
535.18579	2.0
535.27521	1.7
538.34204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
71.01377	1.1
73.02937	16.2
81.03449	1.2
83.05033	5.2
85.02952	4.8
86.55814	1.1
93.03452	41.5
99.00871	7.4
99.04501	5.6
99.17709	1.1
101.02458	1.7
111.04504	23.4
118.80134	1.4
129.01935	2.2
137.02457	16.9
143.03513	3.9
145.55431	1.4
155.03499	14.7
168.19514	1.1
173.04552	100.0
297.07358	1.1
353.73679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36327	1.1
71.01404	1.5
73.02937	20.8
81.03459	1.4
83.05016	3.0
85.02962	2.8
92.23156	1.8
93.03448	45.2
96.85163	1.3
98.58820	1.2
99.00869	6.8
99.04494	5.3
111.04502	25.6
129.01950	2.3
137.02432	19.1
143.03500	4.7
143.34802	1.3
154.66893	1.4
155.03488	13.7
163.92436	1.3
173.04538	100.0
199.74855	1.4
204.40758	1.4
404.83710	1.4
427.89841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40776	1.7
56.80222	1.5
74.02475	3.7
78.29620	1.9
81.06635	1.8
82.62357	1.8
84.90003	1.8
86.02468	14.2
88.98801	14.2
89.02422	3.8
97.88925	2.1
100.04012	2.4
116.05058	14.3
117.91153	1.8
119.05009	13.0
141.06712	23.5
142.06619	3.5
155.08266	7.7
155.81677	2.1
158.87357	1.9
159.09294	4.6
173.09351	3.0
181.09746	2.3
200.10768	3.1
201.82678	1.9
203.08258	27.5
224.10345	3.3
244.09813	10.7
535.22034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04614	2.8
59.01103	5.2
59.01384	100.0
61.27985	3.1
65.29019	3.3
71.01379	69.7
72.99312	17.5
73.02943	30.6
75.00819	4.0
83.01382	14.6
85.02953	44.3
87.00869	15.7
87.04517	7.2
89.02425	30.1
95.01379	6.4
97.02936	8.4
99.00866	4.7
101.02440	65.7
105.01940	60.4
111.00887	4.1
113.02440	35.9
115.04060	3.7
119.03489	13.1
121.02957	4.4
123.04519	4.0
124.01616	7.4
125.02448	14.9
143.03545	5.4
159.02972	5.5
161.04558	19.3
164.49010	4.0
169.12349	26.5
175.04066	3.3
179.03589	7.5
210.87593	3.7
211.13438	5.1
229.10898	7.3
373.18378	5.2
406.91946	4.0
475.21777	98.2
491.26526	4.2
493.23047	45.3
517.23126	33.9
535.23639	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92194	2.1
59.01102	4.7
59.01384	100.0
59.07278	2.2
60.80103	2.1
71.01382	52.0
73.02937	13.6
79.40804	2.6
82.75611	2.2
85.02937	10.6
89.02431	83.5
93.67698	2.8
101.02441	48.2
107.35307	2.6
111.00852	3.2
113.02460	31.9
117.03521	2.6
119.03513	29.1
125.02451	2.8
131.03473	5.2
134.03734	44.1
143.03519	4.4
149.06088	3.0
161.04535	21.9
173.11833	4.0
179.05632	51.3
193.05081	41.4
199.41605	2.7
221.06654	13.5
246.09500	3.0
377.18295	14.9
475.21954	91.3
491.24701	3.3
535.17682	19.4
535.27026	12.2
553.86145	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54570	0.3
56.34394	0.4
58.26121	0.4
59.01376	0.5
59.03656	0.4
59.65057	0.5
71.01371	0.8
87.00867	100.0
101.02450	0.6
102.98586	0.7
149.02437	3.8
164.04782	0.8
326.11508	1.9
383.71240	0.6
390.67651	0.5
413.94846	0.4
447.22232	4.2
505.18698	0.8
535.19415	4.5
535.25201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69724	0.8
59.01382	2.1
59.88490	0.8
64.92570	1.1
71.01396	3.9
87.00866	100.0
89.96787	1.1
99.00916	1.2
101.02435	4.4
113.02399	1.6
161.04546	2.5
176.61584	1.5
176.78413	1.1
315.18130	3.7
447.22452	29.1
493.11807	1.2
535.24188	8.6
535.31744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63018	0.5
59.01390	9.7
61.98844	0.7
63.92055	0.5
71.01395	1.1
73.02921	1.2
85.02930	0.7
87.00868	100.0
87.53333	0.7
89.02446	0.9
91.23991	0.6
101.02445	3.6
113.02431	0.9
349.13925	0.8
421.67166	0.8
425.32611	0.7
441.08273	0.7
535.23444	1.5
535.31360	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2545
Annotation	Paniculatumoside A
Peak:m/z	Relative Intensity
57.20868	1.4
59.01384	15.8
61.98812	3.3
64.73695	1.5
65.95036	1.6
71.01362	7.3
78.95908	16.8
88.21544	1.5
89.02435	9.7
96.95980	3.8
101.02433	6.3
113.02431	2.0
121.36592	1.7
143.33163	1.8
148.43941	1.5
152.99590	42.4
162.11780	1.5
171.00764	1.6
205.20505	1.5
216.07932	1.9
277.12305	1.7
302.40314	1.8
337.18140	8.0
355.19174	8.4
373.20163	2.5
382.20392	1.6
517.24469	7.2
535.25873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47511	0.4
59.01381	6.3
69.10694	0.4
71.01385	3.4
73.02941	1.2
75.79800	0.4
78.18108	0.5
85.02948	0.7
85.15111	0.6
89.02421	1.9
101.02438	3.1
113.02432	1.0
117.03436	4.1
119.05027	7.0
122.96613	0.5
132.48083	0.5
145.02954	100.0
149.02448	2.3
163.04015	12.2
164.04865	4.1
175.00308	0.8
175.03996	0.8
190.02719	17.0
191.03464	1.0
205.05087	15.9
209.04608	1.9
223.06125	3.5
341.10696	0.5
430.65079	0.6
535.18195	22.0
535.25592	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47511	0.4
59.01381	6.3
69.10694	0.4
71.01385	3.4
73.02941	1.2
75.79800	0.4
78.18108	0.5
85.02948	0.7
85.15111	0.6
89.02421	1.9
101.02438	3.1
113.02432	1.0
117.03436	4.1
119.05027	7.0
122.96613	0.5
132.48083	0.5
145.02954	100.0
149.02448	2.3
163.04015	12.2
164.04865	4.1
175.00308	0.8
175.03996	0.8
190.02719	17.0
191.03464	1.0
205.05087	15.9
209.04608	1.9
223.06125	3.5
341.10696	0.5
430.65079	0.6
535.18195	22.0
535.25592	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2688
Annotation	Plectranthol B
Peak:m/z	Relative Intensity
59.01398	3.0
62.19341	2.7
64.53905	2.6
113.90742	3.7
198.38643	3.5
221.80565	3.8
358.48257	3.8
499.29132	14.3
506.78802	3.6
535.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2685
Annotation	Plectranthol B
Peak:m/z	Relative Intensity
51.75178	0.4
53.70858	0.5
56.85991	0.5
78.95903	46.6
80.55701	0.5
96.95993	3.7
96.96962	4.9
150.97992	0.8
152.99583	100.0
171.00610	2.5
192.85271	0.6
199.06499	0.6
238.88814	0.6
245.33586	0.7
277.18021	1.2
279.19534	0.7
295.19257	1.3
422.48462	0.7
449.19553	8.3
459.64450	0.6
473.27039	0.8
511.92520	0.7
520.86737	0.6
535.26904	60.0
550.56445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21009	0.5
67.65179	0.6
71.50051	0.6
78.95904	45.0
85.55332	0.5
86.66813	0.6
95.80981	0.6
96.96017	10.0
96.96942	5.6
107.37739	0.7
145.78024	0.7
145.80714	0.8
152.99591	100.0
171.00635	3.6
199.13396	2.4
256.19528	0.6
289.20316	0.7
353.13757	11.2
434.94574	0.7
441.74084	0.6
489.27283	0.7
535.26996	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2684
Annotation	Plectranthol B
Peak:m/z	Relative Intensity
52.82297	1.3
59.01382	14.6
71.01371	3.4
85.67228	1.5
89.02434	1.8
101.02436	2.0
104.40892	1.7
113.02419	1.9
131.60902	1.6
135.67537	1.7
152.13768	1.7
190.02716	14.1
205.05023	13.6
271.74435	1.7
431.26657	3.9
535.18427	24.6
535.26898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82289	0.4
57.61253	0.4
61.98850	0.5
69.52830	0.5
73.68246	0.5
78.84299	0.5
78.95903	32.2
96.96960	4.7
110.07751	0.5
150.98018	0.9
152.99583	100.0
169.11287	0.5
171.00685	4.3
209.44833	0.5
277.18091	1.3
279.19476	0.7
293.27844	0.5
295.19205	0.9
449.19592	6.2
535.26831	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2693
Annotation	Plectranthol B
Peak:m/z	Relative Intensity
50.32654	0.5
51.84332	0.5
59.01382	3.6
60.82446	0.5
61.98841	2.2
63.73254	0.5
66.46326	0.6
69.30838	0.5
71.01368	0.8
78.95901	37.8
82.19547	0.6
89.02486	0.8
96.96045	1.8
96.96956	5.6
101.02464	0.8
117.48105	0.7
149.87239	0.7
150.98016	0.8
152.99591	100.0
171.00626	3.4
277.18140	1.4
294.58356	0.6
295.19342	2.3
318.71088	0.8
375.06326	0.6
436.62357	0.7
445.20605	0.7
449.19495	6.6
489.27151	1.1
535.26764	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	14.3
71.01396	3.3
73.02979	2.5
80.27480	1.9
85.00972	1.6
85.02940	2.0
87.00863	8.8
88.81318	1.7
89.02453	2.9
96.24956	1.5
101.02428	2.7
108.94240	1.8
117.01888	2.6
117.31489	1.9
131.56763	1.5
148.40694	2.4
293.33344	2.0
313.10770	2.5
320.12988	1.9
348.59973	2.1
535.26129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2707
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
59.01228	0.6
69.55269	0.8
74.91711	0.7
108.45502	0.8
198.64342	0.9
201.09285	1.5
202.02737	1.6
219.10287	6.0
245.07884	1.4
258.08990	1.1
293.11786	0.8
305.15631	3.7
306.08914	1.4
307.13422	6.1
321.07632	4.1
349.14478	25.8
376.13004	1.0
387.21808	5.2
405.22958	3.0
499.24698	1.1
517.26208	8.0
533.25818	1.6
535.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2709
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
63.14605	0.4
63.38846	0.4
63.47653	0.5
63.69534	0.5
84.54797	0.4
96.83342	0.5
98.02981	0.5
136.50175	0.5
147.04523	3.0
149.85498	0.5
153.29218	0.5
161.42328	0.6
171.04553	0.6
182.20676	0.6
183.08078	1.1
189.05676	0.7
191.03493	0.5
202.02721	0.6
243.10258	0.7
255.23369	0.5
306.09241	0.6
315.16116	6.3
321.07748	3.8
333.17099	3.8
335.09323	2.0
361.16571	0.7
369.20609	3.5
385.20398	0.6
387.21860	6.5
401.21381	4.2
405.22906	2.5
419.22186	1.9
421.20206	0.8
445.20239	4.2
455.25977	2.3
463.21451	8.2
473.27072	0.7
475.24490	1.1
517.25970	12.2
533.25348	2.3
535.27051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57915	0.4
61.98823	0.6
72.25526	0.4
73.65899	0.5
75.00878	0.4
76.28088	0.4
77.63590	0.4
79.95745	0.5
96.96010	48.2
104.28284	0.5
146.30664	0.4
152.99625	1.0
182.43808	0.6
238.24538	0.6
292.31015	0.4
535.27441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17361	0.4
55.01873	1.1
56.53771	0.4
57.03440	0.9
59.01105	1.0
59.01385	22.2
60.28873	0.5
71.01379	25.2
73.02947	10.2
83.01381	5.3
85.02949	14.0
87.00869	1.0
89.02439	8.6
95.01379	3.6
99.00877	3.6
101.02442	24.0
111.00872	1.0
113.02433	15.2
119.03493	3.0
159.03009	2.2
159.49934	0.5
161.04552	3.4
161.72710	0.5
165.20691	0.5
191.05661	1.1
373.22385	1.3
385.50906	0.6
475.21545	0.7
535.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12563	1.5
55.70407	1.4
59.01382	43.9
61.98857	1.9
62.60573	1.4
66.02879	1.7
71.01376	15.1
73.02934	3.7
85.02942	10.5
85.06036	1.7
89.02437	1.6
93.07034	1.6
94.79213	1.8
99.00880	2.7
101.02415	13.3
113.02446	7.7
125.79939	1.6
129.53575	1.9
210.85791	1.9
287.22336	2.7
410.58102	1.8
431.26477	6.5
449.21585	2.3
449.27634	47.2
491.28726	100.0
535.23120	3.8
535.31207	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28157	1.0
57.69517	1.1
59.01381	70.1
68.99578	1.3
70.53122	1.3
71.01381	33.3
71.21175	1.2
77.31782	1.2
85.02952	6.8
89.02438	47.7
95.01392	2.0
101.02445	19.1
106.89199	1.5
111.86413	1.2
113.02447	15.0
119.03500	15.9
142.87047	1.5
155.63301	1.3
161.04559	2.3
179.05569	2.9
223.49184	1.3
235.43745	1.5
259.02353	1.8
535.27692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82437	2.8
57.03443	2.9
59.01378	22.9
71.01374	29.1
71.41273	3.2
73.02946	14.4
83.01405	5.0
85.02934	8.4
89.02438	5.9
101.02451	30.3
113.02441	17.4
140.18790	3.6
161.04700	4.0
192.82269	3.7
201.50586	4.1
221.10245	3.4
227.16675	5.3
389.21826	8.5
530.79315	3.6
535.27686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17870	1.0
57.03444	1.2
58.50010	0.9
59.01382	81.5
68.99562	6.2
70.73837	1.1
71.01376	42.3
72.99318	1.9
73.02984	1.5
83.01376	1.2
85.02950	8.8
87.00871	2.2
89.02436	57.3
100.95851	1.3
101.02448	23.7
112.98549	7.4
113.02460	18.4
119.03493	20.8
131.03526	1.2
142.14232	1.4
143.03525	1.5
146.05205	1.0
156.21938	1.2
161.04526	2.2
179.05630	5.6
207.06682	2.1
278.60397	1.1
419.14935	1.3
524.60638	1.2
535.27661	100.0
546.82513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38367	0.9
58.49292	0.9
59.01382	100.0
61.98831	1.9
65.77018	1.0
71.01380	6.9
73.02942	1.5
85.02948	1.6
89.02438	2.6
89.36679	1.0
93.14681	1.0
99.00865	1.3
101.02438	4.8
113.02429	2.5
199.13385	7.7
248.04001	1.2
271.61682	1.2
287.22311	2.0
331.22736	1.9
430.20715	1.3
435.44461	1.2
449.27414	2.5
475.27737	1.3
490.73825	1.4
491.28653	6.7
535.30579	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47660	0.7
53.42155	0.7
54.86647	0.7
58.63194	0.7
59.01381	100.0
61.98835	7.8
66.62897	0.9
71.01366	7.1
73.02940	8.7
83.01403	1.4
86.52896	0.9
89.02432	3.6
92.23129	1.7
99.02758	0.9
101.02449	7.6
113.02454	4.0
164.31361	1.2
173.04523	1.2
179.05661	1.3
179.32643	1.2
184.09904	1.0
185.11926	1.2
191.05589	1.2
199.13412	1.1
221.15643	1.0
237.94232	0.9
239.16673	1.2
427.29691	1.0
449.28131	1.1
475.27051	3.8
491.28601	1.4
518.56628	1.0
535.22388	1.7
535.30157	4.1
541.27795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04553	44.9
53.16793	42.3
58.15554	45.4
59.01381	60.5
59.44458	47.0
59.77832	48.5
61.98842	48.7
78.95894	48.9
81.27498	48.6
96.95995	70.3
126.30100	77.3
134.53157	53.7
261.33075	59.2
271.07755	54.9
323.70355	69.5
535.30463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98095	0.9
63.28853	0.9
67.84498	1.1
73.54544	0.9
79.85433	1.1
80.80524	1.3
85.02941	4.1
116.92873	1.7
161.06055	1.4
172.05331	4.7
173.06047	1.6
187.07706	2.5
197.56795	1.1
198.06888	1.4
199.07573	1.4
200.08513	2.1
201.09212	4.6
206.24612	1.1
212.08481	1.4
213.09305	2.4
214.09991	9.3
225.58052	1.1
254.13116	4.9
255.13939	8.5
256.14786	1.9
258.16205	2.4
268.14670	4.4
271.17099	1.3
283.17072	7.9
295.17130	8.3
302.05911	1.3
309.18790	1.1
310.19135	1.2
326.22729	1.6
337.21616	7.7
354.33740	1.1
378.25449	1.9
393.28088	5.2
395.29541	1.9
406.28787	38.1
447.32892	2.2
491.31720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3131
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
57.03442	1.2
59.01382	51.3
71.01384	13.1
72.99339	0.7
73.02950	3.8
83.01377	1.7
85.02950	4.9
87.00890	1.3
89.02425	6.6
95.01389	0.9
99.00871	1.3
101.02444	10.5
106.63517	0.7
113.02429	9.4
118.35825	0.7
119.03553	1.2
152.08633	0.8
154.68906	0.8
161.04549	1.8
162.22787	0.7
206.58861	0.7
218.24112	0.8
277.21829	3.0
285.69922	0.9
295.22861	1.8
362.19318	0.9
401.58063	0.7
535.31500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	53.4
68.90157	0.6
71.01379	13.1
73.02945	4.4
83.01359	1.4
83.58833	0.7
83.63251	0.6
85.02953	5.9
85.58723	0.6
89.02444	7.6
95.01392	0.7
101.02436	12.7
113.02463	7.2
119.03471	1.6
123.08182	1.2
161.04547	2.6
190.02872	1.2
205.05159	1.3
229.14445	1.4
277.21783	3.6
295.22842	1.3
362.19919	0.8
431.26324	1.4
535.18317	2.8
535.31390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43705	0.8
59.01383	50.3
71.01379	12.1
73.02934	2.4
83.01410	3.8
85.02950	6.6
87.00871	42.0
89.02448	5.3
97.85341	0.9
99.00851	1.3
99.61043	1.0
101.02439	16.9
111.62809	0.9
113.02404	6.6
119.03494	1.7
121.31985	1.0
123.08094	1.1
126.20458	0.9
161.04610	1.9
277.21826	5.0
299.02179	1.8
348.45227	0.9
401.58151	1.0
475.30963	2.1
505.18658	1.1
535.31470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60179	3.8
65.90913	3.7
82.47086	4.1
102.89684	3.8
120.22066	4.0
125.09707	73.4
166.39514	4.1
187.09776	31.9
213.33568	4.1
255.23271	52.1
261.13412	8.2
273.79855	3.8
339.32608	5.8
403.31274	4.2
443.01187	4.0
499.36475	100.0
535.34155	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.9
61.98832	100.0
85.79801	1.6
98.88689	1.6
152.99606	4.0
214.55991	1.8
236.60751	1.5
240.25623	1.8
255.23224	8.6
256.23672	2.4
476.32022	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35662	1.1
59.01379	1.3
71.01388	1.4
72.99310	9.6
81.03442	1.3
83.05020	9.3
101.37273	1.0
111.04525	33.0
115.04025	6.0
127.04012	89.7
129.05547	4.8
137.02458	6.2
146.73158	1.4
155.03508	97.2
171.03058	1.4
199.02502	71.9
210.80263	1.1
217.03555	100.0
221.77124	1.1
296.26981	1.4
511.91037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22910	1.1
59.01385	1.1
65.04539	1.0
72.99291	10.0
78.25740	1.0
81.03474	1.6
83.05021	15.2
89.02422	1.3
105.15453	1.3
111.04513	31.1
115.04001	7.4
123.04482	1.9
127.04011	93.8
129.05562	5.7
137.02441	6.1
155.03511	90.8
171.02960	1.4
177.63867	1.1
188.05984	1.2
189.04047	1.3
199.02505	77.3
217.03539	100.0
218.05409	2.1
220.07054	1.6
232.07071	1.4
284.55881	1.1
355.11603	1.3
356.12305	6.3
373.13116	4.8
374.13300	19.3
526.29980	1.3
536.18341	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39057	3.3
56.20843	3.2
57.03438	3.3
58.54935	3.6
59.01377	14.6
62.17010	3.1
71.01372	7.4
72.99296	86.0
99.95059	3.0
102.40247	3.1
111.49238	3.4
116.69249	3.2
129.01967	32.6
135.04469	3.6
139.56599	3.5
179.03571	4.8
180.03883	4.3
197.04587	6.9
203.01962	34.3
242.45702	3.7
300.06870	3.7
314.08502	4.3
316.06155	25.1
328.06143	7.5
330.08026	4.2
342.07562	7.6
344.05649	16.8
344.09467	4.6
346.07263	7.0
354.07858	5.4
357.24911	4.3
357.55978	4.5
360.08643	7.4
363.01147	4.2
372.08948	14.9
388.08182	21.4
388.12531	4.3
400.08136	20.5
418.13028	6.2
430.13028	16.8
444.10934	41.1
462.11926	17.3
464.13364	13.8
503.20621	3.8
526.00000	4.4
536.11829	100.0
547.21423	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16119	0.3
59.01386	0.7
61.52588	0.3
63.77503	0.3
66.58376	0.4
71.01379	0.3
73.02919	0.4
77.45592	0.3
78.03838	0.3
84.81696	0.3
85.02938	3.6
86.02517	0.4
86.43124	0.3
87.00891	0.4
93.03441	1.3
97.65446	0.3
107.97392	0.3
111.04510	0.4
117.54327	0.3
127.04033	1.4
134.43036	0.3
173.04649	0.4
174.05670	0.3
191.05630	100.0
239.07472	1.2
241.11896	0.4
251.07553	0.5
298.36459	0.3
351.27042	0.3
372.58060	0.4
536.17133	0.7
543.16016	0.3
552.60370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75809	4.7
59.01386	22.3
72.99297	12.6
81.13560	5.4
85.02936	10.7
101.80885	4.8
113.02457	32.0
120.11683	6.0
126.07187	5.4
132.35068	4.9
144.41515	5.7
169.05070	29.8
188.08675	5.4
191.05617	9.9
193.05081	40.6
211.06099	24.4
235.82462	5.7
290.16669	6.7
476.14206	100.0
522.93903	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
60.20343	0.6
61.98834	100.0
69.17026	0.6
69.85523	0.6
72.99314	0.7
75.00875	2.1
89.72091	0.6
95.15208	0.5
101.02443	8.4
115.03998	0.7
152.34985	0.6
181.05038	0.6
189.72162	0.6
202.42181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52815	2.7
56.63544	2.3
61.98825	2.8
68.99815	2.9
87.00870	15.6
88.00394	11.1
96.20396	2.5
101.34456	2.9
123.00951	3.0
132.86340	2.3
134.03712	4.4
135.04555	5.0
138.03230	21.5
141.68347	2.4
143.00301	2.8
148.05325	15.0
153.05571	26.3
165.29326	2.8
170.61832	2.9
178.05130	22.7
191.03444	4.6
192.04333	3.0
193.01431	14.2
193.04951	3.3
207.06696	4.2
208.03777	49.8
223.06117	32.1
297.10059	18.8
312.12402	52.8
344.80438	3.3
352.11670	3.4
506.18387	22.6
518.18402	9.3
536.19257	100.0
561.42102	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2049
Annotation	Saframycin B
Peak:m/z	Relative Intensity
53.81771	0.8
61.98830	6.4
63.77643	0.8
63.89248	0.8
78.95891	4.0
82.35572	0.9
99.25987	1.0
136.07693	18.9
152.99590	13.1
173.63721	1.0
174.90497	1.0
203.25108	1.0
213.06772	1.1
221.16664	1.0
227.08325	5.5
239.04767	1.4
254.06950	1.6
255.07771	17.2
265.09882	1.6
267.07904	6.9
281.09482	7.7
287.10446	17.7
299.10400	2.4
309.08789	20.6
341.11435	20.8
363.05899	1.1
373.14120	47.3
443.70364	1.2
449.22659	1.5
536.20392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	37.4
94.82107	20.7
125.14941	24.4
157.42081	20.4
246.82970	22.7
363.91827	21.2
450.51477	19.7
506.19211	25.6
536.28430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21738	0.6
67.38918	0.7
70.40893	0.7
75.00867	1.9
78.95905	20.8
82.20486	0.7
96.96957	100.0
126.09679	0.8
129.01941	1.5
176.93628	10.4
194.94667	14.4
195.05119	14.8
253.17917	0.9
256.85449	0.9
300.34836	0.8
439.08676	27.8
460.76703	1.0
517.62799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21738	0.6
67.38918	0.7
70.40893	0.7
75.00867	1.9
78.95905	20.8
82.20486	0.7
96.96957	100.0
126.09679	0.8
129.01941	1.5
176.93628	10.4
194.94667	14.4
195.05119	14.8
253.17917	0.9
256.85449	0.9
300.34836	0.8
439.08676	27.8
460.76703	1.0
517.62799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
78.84975	0.9
86.71552	0.7
102.85700	0.9
114.22812	0.8
129.58051	0.8
162.64368	0.7
209.06007	3.1
213.05528	1.6
225.05618	4.8
253.05145	11.8
255.06664	46.0
267.06586	1.0
269.04581	100.0
281.04584	28.7
354.60120	0.8
432.16284	0.8
515.77753	0.8
537.11963	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
71.94291	1.7
78.95895	9.3
85.92036	1.7
132.13312	1.5
135.89082	1.6
145.08707	4.0
152.99547	3.3
163.00372	9.8
187.09787	1.6
209.06100	2.6
213.05579	2.0
225.05579	3.9
241.21718	3.3
253.05098	16.1
255.06651	46.1
255.23311	3.0
267.06683	17.3
269.04578	100.0
281.04596	37.5
451.07001	2.3
537.11981	84.3
537.19989	3.2
537.32880	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95913	2.1
82.78604	1.2
88.23206	1.3
92.84856	1.2
96.96015	1.5
105.35600	1.2
116.20387	1.2
118.74151	1.3
125.09763	1.6
163.00421	11.7
181.06573	3.2
183.04524	7.4
185.06094	1.8
209.06134	2.6
213.05527	2.0
225.05620	6.8
253.05075	8.2
255.04207	2.5
255.06674	43.0
258.45520	1.4
267.06702	20.9
269.04578	100.0
281.04605	29.4
298.24759	1.3
309.07822	1.5
353.28314	1.3
416.47446	1.6
537.11633	56.2
537.33905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67599	0.2
54.94603	0.3
56.87983	0.2
58.83480	0.3
59.01384	1.6
61.98834	100.0
71.01405	0.3
90.41894	0.3
91.83450	0.3
113.02433	3.3
114.02779	0.3
115.02876	0.4
169.12250	0.3
272.36554	0.3
336.32568	0.3
361.48770	0.3
381.77985	0.3
506.49051	0.3
537.12524	1.1
537.24762	0.4
537.32739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1235
Annotation	Sibiricaxanthone A
Peak:m/z	Relative Intensity
58.04557	0.5
59.01373	1.9
63.95316	0.4
71.01382	0.8
72.99296	0.7
75.64959	0.5
76.48215	0.4
78.95905	40.2
85.09855	0.5
89.02435	0.6
92.19603	0.4
96.96954	100.0
101.02412	0.6
110.98550	4.8
117.01965	0.9
117.56709	0.5
160.87473	0.5
161.04593	0.5
174.86079	0.6
179.05630	0.6
191.05623	0.8
195.05278	0.5
197.04561	0.8
277.09283	1.7
337.28513	0.7
460.79620	0.6
537.12109	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1564
Annotation	Agrostonin
Peak:m/z	Relative Intensity
59.01373	2.9
61.57395	0.6
78.95889	1.5
149.34358	0.7
151.00392	1.5
163.00412	1.5
165.01932	1.1
177.01917	1.6
196.89574	1.2
197.11832	0.9
198.89529	1.3
213.05606	1.7
225.09198	0.9
227.07150	1.5
241.21661	1.3
243.19656	2.9
255.06656	100.0
267.06573	3.7
269.08215	80.7
281.08099	3.5
472.74915	0.9
537.15619	49.0
537.34180	1.7
562.23584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1563
Annotation	Agrostonin
Peak:m/z	Relative Intensity
51.67894	0.6
83.01353	0.8
86.55964	0.8
93.21416	0.6
112.31622	0.7
125.09734	2.5
144.68231	0.6
151.00354	1.4
163.00360	12.4
165.01923	0.9
177.01978	1.2
211.07608	1.4
213.05629	1.6
225.05588	3.2
225.09213	1.3
227.07149	1.6
228.12282	0.7
234.05788	0.7
255.06659	100.0
267.06665	25.4
269.08215	79.3
281.08295	4.1
524.10748	0.8
537.15625	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.5
55.08969	1.4
55.61628	1.2
65.62827	1.4
69.21377	1.4
71.01369	2.6
75.00861	1.6
85.02940	1.8
89.37165	1.4
96.21962	1.6
110.92908	1.5
121.02943	9.2
129.01891	3.4
134.03737	43.2
135.04576	1.9
147.02969	9.7
149.02422	9.1
149.06078	23.4
150.03223	35.3
160.03197	1.5
164.04770	3.6
165.05568	82.9
167.75549	1.5
172.03026	1.5
176.88612	1.9
178.02728	35.1
180.04320	6.0
193.05084	74.6
195.06631	16.1
239.07144	2.7
250.06299	6.1
267.06735	3.6
282.08990	20.7
304.09570	1.7
341.10315	22.3
389.12433	26.5
465.82944	1.8
489.55124	1.8
537.16150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	14.2
55.02118	1.9
57.66834	1.6
59.01378	9.9
64.10940	1.5
67.49586	1.4
71.01382	8.4
74.46131	1.7
75.00863	3.4
83.38451	1.7
85.02942	3.6
89.02441	8.5
101.02432	6.6
118.89491	1.7
121.02948	4.3
122.03735	2.0
129.01912	7.6
134.03726	34.6
135.04544	2.0
137.02426	1.8
147.02950	9.8
149.02402	6.1
149.06032	17.2
150.03180	28.3
154.85989	1.9
163.19359	1.7
164.04799	6.9
165.05560	74.3
178.02716	27.0
180.04298	4.2
191.07166	2.4
193.05060	70.0
195.06656	18.9
203.90678	1.6
233.05916	1.7
239.07092	2.2
243.07188	1.9
250.06445	3.5
267.06549	2.9
282.09006	21.3
327.12332	3.1
341.10349	29.4
389.12427	28.5
537.16156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59191	0.7
59.01376	1.3
73.61911	0.8
79.77241	0.8
81.17284	0.8
87.00865	7.3
113.02470	1.4
118.15189	0.9
120.80446	0.9
121.02938	1.6
125.11873	0.9
131.04602	1.3
139.00351	1.5
139.04048	1.1
149.02431	10.7
150.03195	2.1
151.04015	1.3
152.01138	1.7
152.79433	0.8
153.01935	12.4
154.02679	4.5
154.06857	0.8
163.03979	1.5
164.04799	25.7
165.01955	7.5
166.02698	9.4
168.04303	5.2
169.05092	3.7
175.00385	1.3
176.01088	0.9
179.07149	8.1
180.04294	19.7
181.05063	24.3
190.02751	11.2
191.03496	4.4
193.01338	1.2
194.02235	1.5
195.06628	38.6
205.05038	11.8
208.03777	29.4
209.04514	4.1
210.05327	8.5
211.06125	5.5
222.05313	3.3
223.06122	33.3
225.07661	7.9
237.07623	2.0
313.09439	1.8
325.88696	1.1
357.13611	1.0
367.10422	3.6
449.14563	15.3
473.54092	1.0
523.46051	0.9
526.65967	1.1
537.16193	100.0
558.04089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08997	1.2
55.01866	7.7
57.06054	1.2
59.01372	3.0
68.36621	1.3
71.01400	1.6
72.87549	1.3
75.00872	1.8
77.64569	1.2
85.02943	3.2
85.12260	1.5
89.02419	6.5
92.22579	2.0
101.02419	3.4
104.17537	1.1
121.02921	7.4
129.01898	5.6
134.03738	33.0
147.02966	11.0
149.02441	5.2
149.06094	21.4
150.02119	2.1
150.03223	36.9
151.04012	1.5
161.59410	1.5
164.04784	7.5
165.05563	78.0
169.12349	6.6
178.02698	33.5
180.04251	7.1
190.02643	1.5
193.05055	77.6
193.06810	2.5
195.06609	20.2
205.05022	2.4
215.28656	1.7
237.04572	1.5
239.06981	1.7
250.06311	6.3
254.09511	2.2
265.08716	1.9
267.06555	2.8
282.09009	21.3
341.10355	28.9
345.13409	3.0
375.14423	1.9
389.07816	1.9
389.12512	34.8
429.80521	1.4
537.16028	100.0
537.23523	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1621
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
50.69941	1.5
51.73380	1.5
63.26516	1.6
68.87321	1.7
87.00861	12.3
113.42198	1.9
143.46056	1.9
149.02441	3.2
150.03210	3.9
164.04820	17.9
165.01935	12.8
165.05536	2.6
179.03526	2.9
179.07172	3.7
180.04311	37.3
193.01401	2.5
194.02209	2.9
195.04839	3.0
195.06635	88.3
208.03772	46.9
209.04466	14.6
210.05292	18.1
223.06108	62.0
225.07716	21.3
225.09578	2.5
299.44730	2.1
326.02280	1.9
327.08890	3.1
334.52878	2.3
382.28256	2.2
449.14590	10.0
537.16168	100.0
537.67798	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44579	0.6
59.01155	0.6
59.01383	10.5
71.01382	7.3
89.02441	10.2
92.07858	0.8
101.02401	4.9
113.02433	3.8
115.99279	0.8
117.03441	1.0
119.03445	3.7
133.02954	9.6
135.04507	14.5
145.02924	6.3
150.03188	1.2
153.03307	0.8
161.02446	100.0
162.03223	8.3
163.03963	3.6
164.04762	1.1
165.05524	4.4
176.04808	1.3
177.05527	5.7
177.87076	0.8
178.59004	0.7
179.03444	25.0
179.05539	3.9
180.04234	3.1
184.34718	0.7
191.07155	11.8
195.06671	6.6
221.04564	12.5
251.05501	1.1
252.57735	0.9
281.06561	5.0
288.15744	0.7
327.12473	5.3
341.08594	1.0
375.14304	4.1
379.19781	0.8
383.42615	0.8
394.08804	0.9
400.83694	0.8
519.15161	23.2
537.16046	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54914	0.4
50.76077	0.3
52.76279	0.4
53.54653	0.4
56.08133	0.4
61.19761	0.4
61.21181	0.5
62.91488	0.4
63.85766	0.4
65.83484	0.5
70.70852	0.4
85.02953	3.8
99.13843	0.5
113.02444	100.0
119.05021	18.9
119.05853	1.0
124.50867	0.5
148.26286	0.5
163.04010	27.9
173.09711	0.9
217.08717	5.3
261.07697	15.9
266.27124	0.6
329.62000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Alboside IV
Peak:m/z	Relative Intensity
57.44579	0.6
59.01155	0.6
59.01383	10.5
71.01382	7.3
89.02441	10.2
92.07858	0.8
101.02401	4.9
113.02433	3.8
115.99279	0.8
117.03441	1.0
119.03445	3.7
133.02954	9.6
135.04507	14.5
145.02924	6.3
150.03188	1.2
153.03307	0.8
161.02446	100.0
162.03223	8.3
163.03963	3.6
164.04762	1.1
165.05524	4.4
176.04808	1.3
177.05527	5.7
177.87076	0.8
178.59004	0.7
179.03444	25.0
179.05539	3.9
180.04234	3.1
184.34718	0.7
191.07155	11.8
195.06671	6.6
221.04564	12.5
251.05501	1.1
252.57735	0.9
281.06561	5.0
288.15744	0.7
327.12473	5.3
341.08594	1.0
375.14304	4.1
379.19781	0.8
383.42615	0.8
394.08804	0.9
400.83694	0.8
519.15161	23.2
537.16046	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1624
Annotation	Alboside IV
Peak:m/z	Relative Intensity
54.27861	0.5
57.03447	0.5
59.01384	2.8
63.85385	0.5
71.01394	2.1
74.99968	0.5
85.02944	19.1
89.02418	1.9
101.02451	0.5
113.02395	0.7
115.04021	0.6
120.59495	0.5
134.03735	0.9
135.04526	100.0
147.04509	9.2
148.05312	1.2
151.27963	0.5
161.02444	3.4
177.05591	0.6
179.01917	1.3
179.03505	38.5
189.05806	0.7
195.06715	0.7
205.05046	2.1
233.08197	68.3
277.07230	9.7
281.12305	1.2
288.70941	0.6
439.12506	15.3
537.16064	24.2
537.23920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02967	0.5
85.02953	3.7
101.02444	0.6
113.02447	100.0
113.03645	3.7
114.01952	1.1
119.05025	13.8
119.37384	0.6
131.04626	9.4
146.59569	0.5
163.04016	17.5
192.05559	0.6
203.06769	1.2
217.08676	4.9
235.09023	0.7
261.07724	9.5
371.06479	0.7
411.25433	0.6
537.17444	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23004	0.5
56.98232	0.6
59.01375	2.6
71.01373	0.9
72.99307	1.1
75.00866	15.8
78.95887	5.1
85.02951	2.8
87.00865	1.5
89.02441	1.5
96.96948	29.1
99.00870	4.2
111.00939	0.7
121.27662	0.6
129.01924	16.0
151.04001	3.0
159.03006	5.1
176.93604	4.0
177.04002	3.3
191.05609	8.2
192.05939	3.9
193.06078	5.0
194.94632	3.5
195.05104	100.0
208.71956	0.6
230.21701	0.6
268.51779	0.7
342.18018	0.6
439.08560	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1933
Annotation	Dracoflavan B1
Peak:m/z	Relative Intensity
52.81437	0.3
54.44302	0.4
59.53316	0.3
59.97429	0.3
78.95901	5.7
81.51561	0.4
96.95974	0.7
109.06559	0.6
115.92081	0.5
116.92838	3.5
121.23144	0.3
121.58926	0.4
135.22649	0.5
152.99529	0.6
178.88425	10.2
179.89272	3.2
180.90005	9.8
196.89505	100.0
206.07504	0.4
209.90448	0.5
234.91164	0.4
238.23692	0.4
244.09686	0.6
270.11255	0.4
277.21774	0.8
286.14496	0.5
312.16003	0.6
325.60849	0.4
355.29959	0.5
357.31601	0.5
397.30923	2.9
413.34268	9.0
424.28787	2.6
450.30524	0.9
457.33530	1.9
463.50256	0.5
493.30807	11.4
537.19501	33.4
537.29248	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1951
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
53.77129	1.9
69.54610	2.3
72.11034	2.2
84.97701	2.1
99.92577	27.2
100.93365	28.3
106.73199	2.4
115.92073	79.7
115.92879	5.1
116.92844	100.0
116.98150	2.8
131.04764	2.3
156.04915	2.5
251.10815	3.5
305.61414	2.3
320.17749	5.0
363.23355	4.2
376.24271	3.2
406.12378	5.7
450.11310	36.2
493.20563	10.6
519.18433	53.7
537.19580	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1956
Annotation	epi-Fibrauretinoside A
Peak:m/z	Relative Intensity
53.51236	0.8
54.91045	1.0
59.50763	0.8
69.97620	1.1
99.92590	25.1
100.76400	1.0
100.93356	34.8
115.92076	49.8
116.92855	100.0
133.18535	1.4
135.60446	1.2
251.10707	1.7
252.11783	1.5
253.12241	2.2
320.17914	1.4
321.18576	1.3
391.26358	6.8
424.13174	1.3
430.80084	1.2
450.11487	24.2
468.12842	2.4
475.19427	5.6
493.20566	15.1
507.18164	1.7
519.18475	16.3
537.19647	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1958
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
52.06999	1.3
66.55814	1.6
67.39564	1.5
96.16381	1.9
99.92590	36.8
100.93361	37.4
115.92069	44.7
116.92856	100.0
117.93620	1.9
147.49870	1.6
199.07629	2.2
213.09097	2.8
228.52972	1.8
270.00003	2.9
321.18463	2.2
324.37512	1.9
338.06000	2.4
388.11584	2.0
389.24878	2.9
406.12338	14.1
450.11429	33.8
458.90903	2.0
475.19818	6.8
477.26740	1.8
489.17453	2.0
493.20639	10.3
493.32449	2.5
507.18539	8.5
519.18475	74.5
537.19653	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30151	1.0
59.01381	100.0
59.19956	1.2
65.73888	1.1
69.59660	1.2
78.50852	1.2
96.95978	1.5
118.42693	1.2
135.28647	1.2
165.22285	1.3
190.02696	1.2
213.41164	1.5
222.05379	8.0
237.07645	7.7
376.28061	1.5
520.25867	1.7
537.24841	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Briarlide C
Peak:m/z	Relative Intensity
54.11836	1.1
59.01364	1.9
78.95861	1.4
85.02944	1.6
101.02409	1.9
117.03414	8.0
131.46693	1.4
134.03743	100.0
148.01646	7.2
149.06114	13.8
160.01591	6.8
161.02361	1.8
173.02454	9.3
174.03195	1.8
175.03979	14.4
178.02684	3.1
186.84349	1.3
193.05074	90.2
205.05049	2.6
210.73808	1.5
216.07915	2.4
217.08710	98.0
223.47942	1.4
254.02373	1.5
319.07922	1.6
421.57324	1.6
473.07330	1.5
477.17670	27.3
537.19733	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1985
Annotation	Tanegoside
Peak:m/z	Relative Intensity
57.75865	0.8
85.02959	1.7
122.03737	4.9
123.04495	1.6
136.01660	1.0
146.03735	4.9
151.04013	2.8
161.06038	1.7
164.04750	6.0
175.04010	6.5
176.04779	19.3
179.07138	17.2
179.15903	0.7
180.04303	3.6
190.06383	10.6
191.07159	100.0
195.06621	5.9
203.07155	1.1
208.07343	1.1
209.08179	5.5
209.40793	0.7
239.09212	1.5
289.30429	0.8
312.10367	1.3
327.12405	17.5
335.47794	0.8
342.11026	0.9
345.13480	14.2
357.13272	1.0
375.14523	42.4
489.18127	2.7
507.18936	1.5
537.19855	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05424	2.0
54.05997	1.8
54.21262	2.0
59.01384	34.6
63.86565	2.0
71.01382	35.2
73.02937	10.1
83.01401	2.9
85.02956	5.3
89.02435	26.4
95.01397	3.5
99.70384	2.1
101.02426	20.9
113.02430	18.8
119.03503	9.5
123.04453	2.6
130.48077	2.2
149.02417	15.6
150.03214	53.3
161.02556	3.0
164.04796	16.5
165.05542	65.3
175.09769	3.2
176.04813	3.7
176.60088	2.9
179.05638	9.5
180.04277	2.3
185.06081	5.8
191.07138	30.0
195.06528	19.1
229.05060	74.9
231.06677	20.2
237.05092	2.7
257.04663	23.4
312.10065	26.5
327.12424	77.4
375.14575	12.6
402.11334	3.1
489.17584	15.2
537.19171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Tanegoside
Peak:m/z	Relative Intensity
53.33823	0.6
59.01383	0.8
60.44517	0.7
63.29614	0.8
89.02427	0.9
98.77261	1.1
101.02417	1.6
109.02930	1.2
111.00926	1.3
136.01683	2.2
151.04022	13.8
155.13213	1.1
160.05356	0.9
173.30154	1.1
176.04814	3.7
190.06390	3.8
191.02055	2.2
191.07106	9.1
235.50676	1.1
266.33554	1.1
267.06705	6.2
273.21808	1.0
279.06677	5.3
279.78751	1.0
282.08990	40.4
294.09039	5.9
296.75876	1.0
297.11356	100.0
309.11432	1.6
312.10086	19.8
327.12439	55.7
327.50900	1.0
330.11429	1.1
333.05692	1.0
345.13474	15.1
357.13495	5.1
375.14514	68.1
528.75781	1.1
537.19830	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Tanegoside
Peak:m/z	Relative Intensity
59.01375	9.4
68.30620	1.5
71.01381	7.3
72.99340	1.6
89.02440	8.8
94.87872	1.6
101.02424	2.9
112.99609	1.7
113.02450	6.4
113.40198	1.7
115.00333	3.0
119.03487	3.6
122.03729	38.3
123.04553	2.6
133.01396	9.1
133.02931	3.4
134.03725	1.5
135.04532	15.6
136.01649	3.1
137.02443	3.5
145.94711	1.7
146.03751	27.1
151.04022	11.5
154.02710	2.0
161.04773	2.1
161.06046	16.5
164.04758	21.4
175.04031	3.1
176.04860	11.2
177.01935	2.9
178.02596	2.6
179.02121	2.4
179.03539	36.0
179.07127	80.5
180.04303	10.4
190.06374	3.0
191.07147	45.8
195.06653	29.9
207.06619	9.9
266.53473	1.8
273.73935	1.8
282.09119	2.0
294.08987	2.6
297.11243	2.2
312.10034	3.2
324.10074	2.0
327.08420	1.7
327.12213	11.1
329.52853	1.7
339.12280	7.3
341.08777	2.7
345.13651	13.0
357.13104	3.0
360.12186	9.0
375.14569	100.0
379.15973	1.9
473.38388	1.7
485.55881	1.8
537.19214	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Tanegoside
Peak:m/z	Relative Intensity
59.01383	2.3
87.21249	1.0
89.02428	1.7
113.02401	1.5
121.02907	1.9
133.01414	2.2
146.03749	2.7
149.02452	28.0
150.03224	23.4
151.04042	6.0
153.35512	1.2
161.06100	2.2
164.04787	26.8
165.05563	58.8
176.04805	1.8
179.07126	9.3
180.04329	2.7
184.44711	1.2
191.07159	12.8
195.06639	25.1
217.36092	1.1
280.07336	1.6
285.14139	1.2
297.07782	1.3
297.11404	1.9
312.06467	2.0
312.10071	55.1
327.12408	100.0
330.11078	8.8
345.13434	22.8
357.13416	1.8
375.14554	40.7
375.19296	1.6
537.19318	14.7
537.26758	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Tanegoside
Peak:m/z	Relative Intensity
52.19493	0.5
54.40464	0.5
56.35234	0.5
59.01387	1.3
60.99748	0.5
61.55610	0.6
68.27823	0.5
71.01381	1.0
85.02933	0.7
89.02448	0.7
121.02937	1.0
122.03738	17.6
123.04543	1.0
136.01654	1.1
146.03745	25.9
149.05998	0.7
151.04001	1.1
154.02669	0.8
161.06079	21.7
161.07355	1.2
164.04793	25.3
165.05592	4.4
175.04012	1.5
176.04788	14.0
179.07147	100.0
180.04283	19.6
190.06398	6.1
191.07158	65.8
194.56316	0.6
195.06647	41.3
200.09319	1.2
207.06714	4.8
209.08243	1.2
216.01768	0.6
246.09760	0.6
263.92319	0.6
282.08804	1.0
295.06830	0.6
297.11392	3.2
312.10172	2.7
327.12442	10.2
345.13455	14.0
357.13724	0.9
360.12292	3.5
375.14514	83.5
477.46469	0.7
537.19482	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.77732	0.4
51.27549	0.6
53.23800	0.5
59.01376	2.4
71.01357	0.7
89.02448	1.2
92.49239	0.6
95.97961	0.5
126.86887	0.6
150.03220	0.9
150.05600	0.8
151.04044	0.8
161.02432	1.4
165.05562	2.3
171.71600	0.6
174.52846	0.6
175.04012	3.3
176.04778	18.9
190.06328	6.8
191.07150	100.0
195.06596	0.6
209.08168	1.4
239.09224	0.9
327.12408	18.3
345.13416	3.0
357.13480	3.4
375.14532	34.1
384.99237	0.7
453.99075	0.6
479.67084	0.7
513.78387	0.7
537.19373	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Tanegoside
Peak:m/z	Relative Intensity
53.39773	1.5
56.64024	1.5
59.01382	4.6
59.18634	1.6
66.82560	1.7
68.99817	2.2
71.01408	2.6
77.81142	1.6
84.75466	1.7
101.02504	3.6
108.02191	11.9
121.02995	3.9
123.00911	3.5
123.04491	16.5
134.03781	7.7
149.02499	13.2
149.06158	2.5
150.03278	11.5
151.04088	3.4
161.02473	4.7
163.04036	8.9
164.04811	15.2
165.05568	13.7
177.05553	19.7
178.02745	27.9
179.07182	8.5
181.08850	3.0
191.07256	12.8
193.05090	44.6
193.06805	2.3
195.06747	3.5
213.79257	1.9
218.62910	2.2
221.08270	4.4
270.54080	2.2
305.41623	2.1
345.13580	3.0
375.14539	4.1
389.12531	4.4
400.02036	2.8
507.18472	20.2
519.19202	4.0
537.20178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
63.00553	0.6
63.96245	1.0
71.01382	3.9
72.99306	1.1
73.02946	0.9
75.00890	0.8
77.00503	0.6
85.02934	2.6
89.02428	3.2
91.11957	0.6
99.00863	0.8
101.02431	5.2
113.02456	3.2
117.97302	1.0
125.02443	3.4
134.03749	7.6
135.04501	1.7
135.98364	3.0
137.02362	0.8
149.06042	2.4
149.99603	2.7
160.01648	24.1
168.00612	4.8
175.04002	100.0
178.02663	0.9
179.03496	0.9
193.05061	13.3
204.04228	1.6
205.05066	1.1
205.09941	0.7
219.06569	2.4
228.18373	0.6
247.09808	0.7
439.16150	84.3
460.28302	0.7
462.53857	0.7
537.12042	5.9
537.18201	1.2
537.24365	3.4
537.32556	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91728	0.7
59.01389	1.3
68.25137	0.7
71.01392	1.7
73.02930	1.2
83.22011	0.8
85.02943	3.2
90.86077	0.7
101.02447	3.3
113.02453	0.8
120.63528	0.8
134.03761	8.8
137.02377	1.3
149.06084	3.4
160.01648	25.0
169.01410	3.2
175.04005	100.0
176.70032	0.9
178.02650	1.4
179.03622	1.0
188.08446	0.8
188.33710	0.7
193.05069	15.8
204.04269	3.1
219.06555	3.6
228.20909	0.8
332.74554	0.8
357.12610	1.6
439.16141	83.1
537.20044	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92797	1.3
81.77613	1.5
85.47885	1.6
86.02850	1.6
89.93988	1.5
97.30039	1.6
124.43269	1.4
149.14502	1.5
151.03993	15.6
161.02597	2.1
176.04715	1.8
176.29736	1.8
190.06395	1.7
191.07175	9.8
197.72716	2.0
240.42889	2.1
267.06689	6.6
279.06772	3.3
282.09018	38.5
294.09253	2.7
297.11337	100.0
312.10223	12.1
327.12384	31.1
345.13528	20.8
357.13394	2.5
375.09973	3.6
375.14529	74.5
488.72366	1.8
540.20313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78825	0.5
55.44908	0.6
59.01387	3.0
65.75270	0.7
68.95349	0.7
71.01380	3.6
83.05376	0.7
89.02434	3.3
98.02511	0.7
101.02430	1.7
109.02894	1.3
112.32796	0.7
113.02441	1.8
115.00346	3.5
115.04008	0.9
117.01248	0.7
117.81969	0.8
133.01416	10.7
134.87193	0.8
136.01663	4.8
151.04002	19.9
160.05289	0.8
161.04639	1.1
161.06067	1.0
165.05505	0.9
175.04039	1.1
176.04843	1.7
189.05539	1.1
190.06387	3.9
191.07198	7.1
253.14822	0.7
267.06693	10.6
277.09091	1.0
279.06604	3.1
282.09015	40.9
294.08932	6.8
297.11337	100.0
312.10022	11.3
315.12357	0.8
327.12393	31.6
337.86319	0.8
345.13452	23.8
357.13336	6.6
375.14536	64.1
477.23904	1.5
537.18683	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	(+)-Cycloolivil 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
65.74395	2.4
72.99309	18.0
80.58525	2.4
92.22472	2.3
94.16268	2.6
105.19943	2.7
119.64489	2.7
126.75043	2.6
132.17845	2.7
133.01535	2.8
136.01642	4.0
137.01431	5.5
137.02441	100.0
139.03949	4.5
149.41890	2.9
151.04021	26.4
175.07626	4.5
179.03517	4.1
224.99786	2.6
229.08784	2.9
300.09940	21.7
312.10107	60.3
312.94278	3.1
315.11679	5.4
327.12247	10.7
330.11142	38.5
345.13443	86.6
360.12134	10.6
375.14584	53.9
375.70779	3.0
399.22794	2.8
465.14023	5.7
507.18698	5.2
537.19122	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39057	1.0
59.01382	1.4
70.34414	1.1
78.95895	1.4
85.89684	1.2
121.02952	2.7
147.04552	2.7
149.02383	1.5
150.03246	2.1
151.04013	1.8
159.04506	6.9
160.05292	19.7
161.06073	7.7
164.04797	7.8
168.76706	1.3
173.06087	5.7
175.07646	16.6
175.16408	1.3
175.79112	1.5
177.05569	12.1
178.06357	14.2
179.07216	2.2
182.66679	1.4
192.07941	13.6
193.04988	1.7
228.91469	1.3
255.06598	6.8
265.08755	2.7
266.05792	6.5
267.06674	24.0
269.08221	24.1
270.09012	7.8
281.08206	45.4
282.08978	19.7
283.09656	1.7
284.10474	7.2
296.10666	3.0
302.08032	1.7
314.07907	2.2
316.09384	2.8
333.28604	1.5
345.13483	2.9
371.14920	2.5
391.66617	1.4
429.13232	12.5
432.15744	2.5
444.15866	14.3
447.18036	5.7
459.18851	4.7
474.16971	5.5
477.19220	60.4
489.19345	100.0
507.20303	41.3
519.20276	38.4
537.20978	2.9
537.28296	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42512	1.5
59.01364	2.2
61.98838	1.9
70.60889	1.4
71.01345	2.3
89.02422	2.6
103.74030	1.5
113.02411	2.0
121.02905	2.9
134.03758	30.1
145.02960	1.7
149.06137	2.5
160.01645	17.5
175.04060	29.1
178.02802	2.1
180.07930	28.8
193.05125	31.7
195.10286	8.1
208.07402	13.4
223.09789	45.3
265.05145	5.7
267.42175	2.4
280.07489	3.0
289.05338	2.3
293.55130	1.9
324.10126	2.4
325.10858	10.4
328.13181	2.5
339.12503	3.6
340.13232	7.2
417.13480	10.0
426.10974	2.5
428.12405	2.5
429.13312	8.4
431.15283	4.3
439.16269	32.1
441.13217	7.1
443.14990	12.8
444.11929	4.1
447.14389	13.3
455.14642	1.9
459.14590	70.3
462.17099	24.3
471.14423	17.6
474.16763	34.1
477.19186	29.5
489.19238	58.6
501.19165	9.4
507.20242	42.1
519.20306	100.0
537.19287	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01379	2.4
68.13675	1.0
71.01379	4.2
75.00874	32.1
75.01290	1.5
78.95926	1.6
83.01395	1.7
85.02950	43.9
87.00848	1.4
95.01382	5.6
99.00905	1.3
113.02430	20.2
152.99573	1.6
175.98935	1.1
241.89597	1.1
422.77838	1.2
493.22614	6.3
537.21674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
59.72297	0.6
60.99308	11.1
70.31263	0.7
71.01382	1.7
87.00871	3.4
88.98799	100.0
89.01304	0.8
89.02435	14.9
99.00854	0.9
101.02418	1.6
113.02465	1.2
127.91726	0.7
128.45821	0.6
161.04504	2.9
175.82077	0.8
190.02644	1.5
193.05145	1.0
205.04993	3.2
315.18173	3.3
447.22440	17.3
537.23602	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39503	0.8
59.01099	1.7
59.01385	36.6
64.52777	0.9
71.01377	27.3
71.05011	1.0
71.20658	0.9
73.02947	4.7
83.01382	1.2
85.02940	10.7
85.03374	1.0
85.12683	0.9
87.00893	1.5
89.02441	29.5
95.01376	1.1
97.02924	9.5
99.00901	1.0
101.02435	26.1
113.02452	16.5
115.00280	1.0
115.04008	29.3
116.23988	0.9
119.03495	14.0
119.07124	4.2
119.31207	1.1
131.03447	1.2
135.04532	1.1
143.03510	1.4
149.04608	1.0
150.03197	1.0
161.02478	1.1
161.04552	10.0
163.04044	1.2
166.81110	0.9
175.04001	1.0
179.03497	3.6
179.05592	2.1
183.24561	0.9
203.65543	1.0
225.11298	1.0
225.53674	1.1
231.04677	1.0
281.12436	100.0
299.21725	0.9
326.08301	1.0
375.16815	1.5
419.19629	0.9
507.18851	1.2
537.22266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.99302	11.3
78.95882	1.3
87.00872	1.3
88.98796	100.0
89.02435	19.9
96.96025	1.1
111.00842	1.1
111.39997	0.8
135.04472	1.5
190.10002	5.6
191.10822	4.5
193.05022	1.0
207.52180	1.1
217.08649	3.9
272.83505	0.9
286.74545	1.1
289.54788	1.0
405.54031	1.0
439.16132	4.0
467.41354	1.1
536.68359	1.1
537.20203	3.9
537.28351	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71907	0.5
56.44709	0.5
59.05785	0.5
60.99307	10.8
73.63751	0.5
88.94509	0.6
88.98796	100.0
89.02431	11.2
92.22443	0.6
106.20015	0.6
153.78548	0.7
182.51720	0.6
207.76816	0.6
447.22260	1.5
537.21118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.2
60.17478	1.0
61.73215	1.0
63.96240	21.9
69.28529	1.3
71.01379	3.0
72.99298	22.0
73.98306	2.8
74.99074	5.5
75.00857	5.2
85.02950	2.7
87.00881	3.1
89.02438	1.5
90.19772	1.2
91.08474	1.2
101.02443	1.7
113.02455	1.4
117.97285	17.3
121.02966	1.8
123.04469	2.1
124.01575	2.5
125.02438	13.3
135.04507	2.6
135.98363	55.1
136.99150	6.6
149.02249	1.3
149.99588	9.4
164.04776	1.4
168.00645	25.1
169.01494	1.5
179.03409	2.3
197.04539	7.2
198.38063	1.3
205.05042	5.1
313.05365	1.3
331.06561	4.5
448.11984	1.4
463.42996	1.5
478.53467	1.7
493.27966	1.3
537.12622	36.6
537.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2479
Annotation	Okaramine P
Peak:m/z	Relative Intensity
56.86972	3.9
58.52060	4.0
59.01381	7.3
61.98829	10.7
67.10181	4.0
67.11088	5.9
70.59830	4.6
87.06887	4.6
97.26581	5.0
104.17532	5.0
132.62103	4.7
171.10336	5.7
173.59837	4.9
212.04449	4.9
261.30298	4.6
265.18076	9.7
324.29807	5.4
380.55890	5.1
501.26956	9.4
526.46234	5.3
537.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62918	5.6
56.93914	6.6
59.01387	16.7
60.15785	5.8
61.47369	5.9
61.98840	14.4
63.08666	5.9
123.15810	7.0
290.15216	7.1
537.24622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09201	4.6
59.01385	13.7
59.93514	5.2
61.98816	10.1
65.01473	5.7
71.34200	5.3
73.76938	5.8
74.22591	5.3
74.49406	5.4
76.95945	6.6
117.99953	7.1
149.78755	5.5
153.96013	5.8
171.10115	6.3
378.99924	6.9
471.85559	6.9
537.24481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00759	0.4
51.75720	0.5
55.01891	0.5
56.04233	0.4
59.01109	1.0
59.01382	15.4
59.99007	0.5
64.13091	0.5
68.08322	0.6
71.01376	22.8
71.50970	0.4
73.02938	12.6
76.73320	0.6
77.14042	0.5
81.03460	0.6
83.01386	6.1
85.02939	11.2
87.00860	0.5
89.02425	4.6
90.82751	0.6
95.01369	0.9
97.02938	0.7
99.00874	3.8
101.02431	29.5
103.04012	1.0
113.02441	14.7
114.01376	0.7
125.02523	1.6
126.98782	0.7
130.46928	0.5
143.03477	2.8
159.03017	4.7
161.04550	21.8
331.13977	1.0
331.17642	14.2
334.11523	0.7
340.86218	0.6
407.14777	0.6
432.05200	0.6
477.23444	100.0
537.25775	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93789	0.8
53.91504	0.7
55.06694	0.7
59.01381	11.3
65.87739	0.9
66.46529	0.8
71.01380	27.5
73.02948	9.9
74.03641	0.9
78.70715	0.9
83.01392	2.2
85.02946	12.0
85.32359	0.7
87.00860	1.3
89.02439	5.9
92.22514	1.7
95.01389	1.4
99.00891	4.2
101.02438	32.2
113.02445	14.8
143.03452	1.5
159.02974	4.2
161.04573	15.8
193.92921	0.9
198.07703	1.0
205.05016	1.4
315.18216	10.4
351.70816	1.0
387.69647	0.9
453.52234	1.0
477.23486	100.0
537.23547	1.3
537.62946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60168	0.8
55.01880	1.6
57.03457	1.4
59.01384	23.0
59.08116	0.8
70.57677	0.7
71.01376	29.3
73.02927	12.1
83.01389	4.9
85.02934	13.6
87.00874	1.1
89.02426	12.9
92.22514	1.9
95.01374	1.7
97.02944	1.1
99.00861	3.2
101.02439	30.5
110.65695	0.8
113.02444	16.2
119.03485	1.7
125.02434	3.1
143.03482	0.8
159.02972	1.7
161.04532	10.1
176.06276	0.9
179.05627	1.3
192.45055	0.9
244.40051	0.8
315.18228	4.0
345.60172	0.8
477.23465	100.0
537.33032	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2846
Annotation	Vielanin D
Peak:m/z	Relative Intensity
52.60969	1.1
59.01382	1.4
63.24144	1.2
78.12650	1.4
78.95905	100.0
81.29910	1.3
83.05017	2.8
96.95991	1.4
96.96954	3.5
97.76330	1.3
98.74319	1.2
101.06106	2.4
107.15475	1.5
125.09706	1.5
145.05043	15.8
152.99586	51.8
159.10287	7.2
190.89157	1.4
207.10271	1.7
225.11395	3.0
241.21765	33.3
255.23309	63.7
270.93024	1.4
377.21027	2.2
391.22839	2.1
477.30450	1.9
537.27716	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
57.03433	1.0
58.28445	0.5
59.01380	15.4
67.15919	0.6
71.01375	23.7
72.99297	0.7
73.02940	10.2
75.00849	0.8
75.54627	0.5
83.01371	3.5
85.02948	14.9
86.00105	0.8
87.00848	0.7
89.02433	5.0
95.01396	3.1
97.02962	0.6
99.00870	3.1
101.02439	24.8
105.99641	0.6
111.00874	2.8
113.02447	12.5
119.03445	0.7
125.02428	0.9
129.01852	0.7
159.02972	2.5
161.04536	4.0
175.03981	0.8
176.04825	3.7
190.06400	1.0
191.05502	1.1
191.07153	24.9
200.81311	0.7
209.08125	0.8
218.05405	1.0
224.24461	0.7
327.12411	4.7
345.13519	1.2
357.12839	1.2
373.12720	0.9
374.13333	0.9
375.14154	10.8
375.23981	1.2
537.17542	3.1
537.18817	3.1
537.29224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.298
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
51.75386	0.8
54.43768	0.7
55.26320	0.8
60.54287	0.9
75.31783	0.9
152.99580	1.0
154.27579	0.9
164.15494	0.8
175.46762	1.0
188.03513	1.1
216.06561	3.5
228.06644	1.8
230.08382	1.3
242.08348	1.2
244.09795	9.2
256.09738	2.2
270.11386	5.3
277.21729	2.1
286.14517	7.1
298.14648	1.7
300.15982	7.4
312.16113	10.9
313.16782	4.9
352.19162	1.8
355.16730	3.5
355.21109	3.3
422.26974	2.3
424.28656	33.5
450.30115	12.6
493.30792	100.0
537.31305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47557	0.6
59.01386	100.0
66.33621	0.7
71.01390	3.9
78.95921	1.1
83.05048	1.0
87.00808	0.7
89.02439	5.6
94.61752	0.6
95.39307	0.6
96.40280	0.6
96.99412	0.6
101.02416	1.0
113.02447	1.6
119.03487	1.4
121.35609	0.8
137.09700	1.5
152.99579	4.4
171.10294	1.8
179.05554	1.4
181.03613	0.8
199.66862	0.9
283.74963	0.8
291.19675	1.6
326.08804	0.8
350.23080	0.8
477.28461	3.8
537.23450	9.2
537.30823	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3073
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01382	100.0
66.63128	1.3
68.83765	1.4
71.01385	2.4
71.32317	1.0
82.35848	1.2
85.02946	2.1
95.03558	1.4
101.02413	2.3
108.17221	1.4
115.02882	1.4
229.72388	1.4
256.40347	1.6
305.90897	1.5
333.24200	7.4
442.83255	1.6
495.29529	2.8
537.21851	3.1
537.30078	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05638	0.6
59.01382	100.0
65.01173	0.8
71.01378	3.5
73.02918	1.3
85.02965	1.8
94.09886	0.9
101.02454	1.6
113.02428	1.5
149.55493	0.9
216.43936	0.8
240.07866	1.0
323.77939	0.9
333.24417	1.2
425.45074	0.9
477.28488	2.0
495.29889	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.5
71.01384	27.8
73.02937	15.0
78.95904	4.2
84.69411	3.0
86.93439	4.0
89.02434	5.0
92.23044	4.1
97.02952	18.4
101.02423	6.3
102.67525	3.3
106.01720	3.3
109.00233	3.3
177.11865	3.9
185.12019	4.3
197.11842	6.4
207.10211	3.3
241.21754	13.8
255.23318	4.4
273.22125	7.1
277.21729	100.0
291.23328	58.4
293.21246	5.1
301.21732	5.7
319.22876	22.2
455.04718	3.4
518.78009	3.7
537.30347	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3076
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01383	100.0
61.98827	2.3
71.01379	2.2
89.02448	2.5
93.83087	1.8
101.02424	1.8
117.77741	1.9
126.08769	1.7
127.47141	1.8
128.38066	1.7
172.88409	1.9
187.98225	1.6
230.45137	1.7
247.36642	1.8
419.09875	1.9
477.28860	3.5
537.31250	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.2
61.98830	0.9
66.64126	0.7
71.01387	4.4
74.22096	0.7
76.74030	0.7
85.02939	1.6
94.98060	0.9
101.02460	1.1
111.83527	0.7
113.02477	5.3
122.16501	0.8
139.04001	4.0
152.99614	1.0
160.03572	0.8
169.05077	1.1
175.69551	0.7
216.75381	0.7
219.83928	0.7
226.32436	0.9
247.61613	0.9
277.21744	100.0
309.28055	5.3
319.23093	0.8
389.27011	1.7
537.32581	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	0.8
59.01379	6.5
61.14132	0.6
61.14465	0.6
61.98827	0.8
63.55506	0.7
67.01885	0.5
71.01385	4.0
75.72689	0.6
82.57442	0.5
85.02943	2.7
86.98260	0.7
89.02467	0.8
89.11292	0.7
95.01386	0.9
97.01136	0.6
101.02463	1.0
107.77502	0.6
111.04504	1.0
113.02455	4.9
139.03961	4.7
155.15634	0.6
161.04597	1.0
169.05040	0.7
197.11813	0.7
255.23296	0.9
277.21756	100.0
300.30835	0.7
371.25931	1.1
375.25171	0.8
389.27161	0.9
406.76355	0.8
417.26535	0.8
495.16782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18272	11.3
61.05774	13.5
69.96284	12.2
75.41953	13.6
75.94644	12.8
106.50478	13.6
131.71794	14.9
152.15576	14.3
173.08147	15.6
173.29141	17.0
218.73523	15.6
260.12256	16.7
321.99170	16.0
488.73096	15.6
537.32214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87953	20.9
65.24385	19.9
85.17474	26.5
92.22554	33.1
96.55653	22.2
135.07167	20.7
138.64243	25.3
217.20491	23.0
267.19720	27.9
442.59140	28.2
473.26651	24.7
537.32025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24251	0.7
59.01390	0.8
66.03207	0.8
78.95901	40.6
94.98052	1.3
96.96929	5.1
99.08194	1.2
125.09737	5.2
145.08702	38.3
152.99583	49.9
171.00618	1.0
187.09766	1.8
204.71742	0.9
214.32085	0.9
217.51898	1.2
255.23308	100.0
281.07950	4.0
293.21198	4.0
391.22540	15.1
409.23587	3.9
525.02020	0.9
537.32141	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54136	0.5
59.01384	45.1
68.55037	0.6
71.01377	13.5
73.02932	4.7
80.80046	0.7
83.01391	0.8
85.02950	6.0
89.02444	6.2
92.70752	0.7
95.01373	0.9
99.00855	0.8
101.02457	10.8
113.02437	8.7
119.03475	2.6
130.18181	0.7
171.13916	0.8
315.25574	3.1
449.26810	0.8
537.26849	5.7
537.33032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77683	0.6
56.29463	0.5
56.50955	0.6
59.01382	49.2
61.98564	0.8
61.98832	14.1
71.01378	14.3
73.02947	4.2
79.82985	0.6
83.01390	1.4
85.02934	4.7
86.86552	0.7
87.00884	0.9
89.02438	6.5
99.00869	1.2
101.02435	12.8
108.14905	0.7
113.02442	11.9
115.03983	1.7
119.03504	2.6
145.86372	0.7
159.02910	0.9
161.04555	1.3
169.12306	1.5
190.35272	0.6
230.50476	0.7
315.25397	3.1
476.36911	0.8
477.30862	1.7
537.32947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3288
Annotation	Virenamide A
Peak:m/z	Relative Intensity
56.68592	1.4
59.01382	61.7
59.49852	1.3
71.01388	16.2
73.02950	7.1
83.01402	2.0
85.02963	6.8
87.00861	1.6
89.02440	14.0
97.02948	1.4
99.00861	2.2
100.74774	1.5
101.02449	20.9
111.00946	1.5
113.02438	13.4
115.04037	2.6
119.03484	3.2
138.07120	1.4
139.97954	1.6
161.02448	11.0
177.16786	1.4
250.79617	1.4
315.25476	1.5
445.55301	1.6
477.24155	2.4
511.13199	1.5
537.19501	3.4
537.26556	13.9
537.33160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38505	1.3
64.14738	1.4
69.66572	1.5
71.47933	1.5
73.38428	1.5
74.25504	1.2
78.95909	8.1
102.20611	1.6
102.89276	1.5
132.84891	1.7
152.99561	3.0
159.10257	1.8
166.89320	1.5
198.89307	1.4
224.06963	6.5
225.11118	1.8
241.21745	2.6
255.23331	100.0
331.51569	1.6
449.27518	2.7
480.31039	78.3
537.33484	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
61.50481	1.5
63.61143	1.5
64.46139	1.3
78.95877	1.8
94.98070	6.6
97.06593	6.7
123.08180	2.6
125.09718	100.0
146.45009	1.8
152.99593	2.4
161.35872	1.6
185.11847	10.8
187.09773	46.4
203.65813	1.6
243.12468	2.2
255.06721	15.6
255.23235	2.8
261.13495	13.0
267.06641	3.2
269.08344	13.9
269.10852	2.0
293.21265	94.1
309.27902	1.9
537.16058	12.0
537.34442	91.8
537.42743	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94825	0.7
57.03465	1.5
63.35683	0.7
71.77206	0.9
78.95893	1.4
91.88490	1.0
97.06593	9.5
104.21147	1.0
107.34863	0.8
113.09708	3.5
123.08126	1.7
125.09718	100.0
152.99550	2.0
169.08661	4.2
185.11830	4.4
187.09773	53.3
197.11859	2.2
243.12398	4.2
253.31946	0.9
255.23373	6.0
261.13400	13.1
293.21249	69.5
309.27966	3.4
356.66159	1.0
357.95697	1.0
391.40787	1.1
407.45996	1.0
537.34406	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44590	0.8
66.41126	0.8
76.24495	0.9
90.61562	1.0
101.13842	1.1
110.57508	0.9
153.12825	5.0
178.68948	1.0
197.11911	1.5
199.13383	2.3
225.22194	1.7
267.19681	26.7
269.21231	100.0
283.19202	1.9
285.20746	60.3
468.19937	1.2
519.40924	2.4
537.41669	57.8
537.49872	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48004	1.7
52.11946	1.7
53.62762	1.6
59.01384	100.0
61.26986	1.6
64.12716	1.7
64.85709	1.9
85.02964	2.5
98.55657	2.0
103.00372	12.4
133.05067	2.6
135.69142	1.9
144.61475	1.8
191.07114	10.3
192.07469	2.8
209.26987	1.8
230.58823	2.2
250.48698	2.0
262.08713	3.0
288.06677	2.8
289.28629	2.1
290.08231	3.0
306.07715	9.3
318.07727	12.7
327.12497	4.2
328.12735	12.9
347.66412	1.8
358.14014	3.0
375.14468	2.4
376.14737	7.5
378.09900	9.7
417.97821	2.0
452.13373	20.3
538.20154	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77334	0.8
53.36263	0.8
55.47890	0.8
58.02699	0.9
59.01404	1.0
61.98827	2.5
63.02765	0.9
63.04581	1.0
63.56401	0.9
73.30444	0.9
75.16592	1.0
75.75918	0.9
77.49121	1.1
100.03824	1.1
110.35159	1.1
114.81341	1.0
136.07704	15.2
147.03250	4.7
148.04051	3.8
150.05711	1.2
168.70239	1.0
175.02711	1.5
176.03539	5.8
191.17316	1.2
199.08824	1.3
206.04605	1.3
215.11961	9.0
227.08264	1.4
227.12038	1.7
240.09061	2.2
241.07707	1.2
241.09908	6.0
243.07822	1.7
243.11400	2.5
253.09807	4.5
255.11494	8.0
256.09726	1.4
266.06955	2.2
269.09445	1.9
271.07547	1.6
271.10861	7.1
281.09348	21.9
297.08752	2.3
299.10455	15.2
312.05063	1.5
313.11917	7.4
317.16571	1.5
325.08066	1.7
327.73135	1.3
331.13007	1.4
375.11838	5.0
417.78192	1.2
520.17468	2.6
538.18378	100.0
538.25378	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1837
Annotation	Myxochelin C
Peak:m/z	Relative Intensity
61.98822	1.7
64.73782	0.9
71.20888	0.8
88.01904	0.9
93.90343	1.0
102.84734	0.9
115.18194	0.9
118.93223	1.0
122.06089	0.9
136.07695	10.3
147.03246	2.2
148.03987	2.0
150.05585	1.7
175.02721	1.9
176.03558	7.3
206.04581	1.5
214.38516	1.0
215.11876	8.2
225.10442	1.3
237.10301	1.7
240.09029	2.1
241.09793	6.5
243.07790	1.8
243.11346	1.4
253.09772	1.7
255.11481	8.4
266.06931	2.3
269.09268	3.8
271.10837	6.3
281.09290	16.4
283.10861	1.4
284.08154	1.3
297.08640	2.2
299.10385	19.3
310.09778	1.3
313.12106	4.7
315.01639	1.3
325.08234	4.1
331.13077	2.2
357.10818	1.1
375.12000	2.3
396.15204	1.2
538.18390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06124	0.6
54.83904	0.6
56.22136	0.6
59.01384	0.8
61.98848	7.6
62.03486	0.8
82.68786	0.8
82.90337	0.7
94.19161	0.8
95.66319	0.7
136.07680	17.9
147.03268	3.3
148.04041	4.4
173.48085	0.8
175.02763	3.2
176.03548	7.2
179.05872	1.0
179.63139	0.8
192.06685	1.6
199.08774	3.1
206.04553	1.8
215.11906	10.2
227.11842	1.6
237.10313	1.0
240.09091	1.8
241.09895	4.8
243.07729	1.5
243.11400	1.4
253.09795	3.5
255.07515	1.0
255.11383	7.9
256.09921	1.4
266.07062	1.3
269.05933	1.0
269.09131	1.4
271.07486	1.6
271.10876	6.7
281.09311	15.8
283.11020	1.5
284.08057	2.8
297.08755	1.6
299.10388	17.8
307.07193	1.3
310.09656	2.8
313.12125	6.4
315.09882	2.8
325.08295	1.3
331.13071	1.7
355.13046	1.5
358.01993	0.8
375.12085	5.0
460.24722	0.9
538.18372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05104	0.9
60.01979	1.0
68.47758	0.8
69.39173	1.0
70.96925	0.9
72.99302	17.3
84.70374	0.9
87.34358	1.0
113.68317	1.0
123.04557	7.4
126.73899	1.2
135.04535	11.1
137.26982	1.0
151.04021	8.7
152.04387	4.1
179.03511	15.3
191.07109	2.4
197.04584	24.5
239.78059	1.1
267.06607	9.3
280.06769	1.4
282.08890	8.8
283.09351	10.9
297.11374	13.2
298.11679	33.9
310.10898	52.2
312.10007	1.2
313.10281	4.2
325.13229	100.0
327.12415	5.2
328.12735	11.3
340.15570	91.7
345.13474	4.1
346.13788	5.8
358.13705	1.8
375.14471	8.8
376.14792	26.5
386.93939	1.1
513.47272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.209
Annotation	Unknow
Peak:m/z	Relative Intensity
72.74370	1.4
72.99299	16.2
73.69685	1.2
75.27880	1.2
86.14629	1.8
123.04499	8.3
123.66216	1.3
133.01422	1.4
135.04509	8.6
179.03488	18.5
191.07213	4.8
192.07503	2.8
197.04558	24.2
267.06702	6.9
310.10901	44.5
325.09332	3.0
325.13211	92.2
325.34683	1.6
340.15546	100.0
375.13873	1.8
376.14807	6.4
413.20700	1.6
448.21609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85171	0.5
64.58080	0.7
72.99307	18.1
73.01575	0.8
122.93375	0.7
123.04556	7.1
135.04521	11.8
179.03503	18.4
197.04570	24.9
234.78673	0.8
252.04445	1.1
267.06647	7.9
275.09537	0.8
310.10895	57.7
319.36066	0.7
325.13226	90.8
340.15567	100.0
452.36057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28760	0.8
59.54158	0.8
68.65474	0.7
72.76524	0.8
72.99303	17.9
76.39510	0.9
77.85377	0.7
83.71564	0.9
123.04462	7.9
125.57944	0.9
135.04488	9.4
165.01920	1.0
168.15919	0.9
179.03476	16.0
197.04559	20.1
217.39923	1.0
267.06534	7.3
310.10870	47.1
325.13223	88.8
340.15555	100.0
376.14877	1.9
408.39874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10692	0.9
52.89630	0.8
59.01379	14.8
67.97382	1.1
78.95901	8.3
94.07554	0.9
96.95998	1.0
152.99576	5.9
168.04367	1.9
221.18983	1.3
224.06982	9.0
239.20178	100.0
242.08051	2.0
296.56937	1.2
464.27884	61.5
538.32611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1356
Annotation	Floribundiquinone C
Peak:m/z	Relative Intensity
54.47309	1.0
58.20630	1.1
78.95919	1.2
89.03207	0.9
96.96007	1.4
151.00304	2.5
163.00308	1.4
165.01917	1.8
177.01927	4.9
211.07538	1.3
237.05635	8.4
239.07414	1.5
253.05098	5.0
255.06636	54.4
265.05042	6.6
271.06143	100.0
283.06094	24.0
317.98120	1.4
539.13531	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.6
68.85825	1.0
70.39643	1.0
71.01384	13.0
89.02434	25.0
94.33178	1.0
101.02458	11.3
113.02436	11.0
119.03493	4.3
121.26174	1.0
123.45909	1.0
125.02444	1.2
143.03477	1.4
161.04550	4.5
179.05643	7.9
183.77199	1.1
191.05644	2.4
221.06642	14.0
231.03526	1.6
244.21730	1.0
249.00180	1.3
287.02573	14.4
287.82272	1.0
341.11154	1.4
347.04858	5.8
375.36963	1.2
377.08597	7.3
405.08560	1.3
438.29114	1.2
503.16299	42.7
539.13953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60241	0.5
53.50322	0.6
55.22938	0.6
59.01400	1.0
67.01875	1.5
72.01701	0.6
72.99296	1.0
76.48779	0.6
85.02940	60.0
97.53180	0.6
100.75246	0.8
109.02926	3.2
111.00867	63.3
123.04523	2.7
129.01930	100.0
153.01903	1.1
153.05571	15.7
179.01694	0.7
179.03421	1.2
182.56223	0.8
197.04437	2.5
265.07190	13.2
315.10999	4.9
320.25391	0.9
427.12479	85.5
479.25320	1.2
539.14362	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41383	0.8
59.01374	1.6
63.50264	0.7
71.01373	1.3
72.99309	24.0
72.99702	1.5
77.84145	0.7
81.03456	1.6
83.05025	23.0
89.02431	1.0
92.51770	0.8
93.03468	1.4
96.73428	0.9
96.96008	1.1
101.02401	1.4
105.01943	6.4
111.04511	23.3
115.04015	14.8
121.06613	1.1
127.04008	73.8
129.05603	6.3
135.04503	7.8
137.02449	4.3
155.03513	49.1
161.02415	5.2
165.05554	3.2
171.02946	3.9
179.03497	1.7
179.07146	1.3
189.03998	3.2
194.74281	0.8
199.02495	25.2
217.03537	100.0
398.87924	0.8
410.48740	0.8
436.35815	1.0
441.14154	6.6
539.18268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36979	0.5
59.01390	1.5
71.01371	0.8
72.99303	43.1
75.00889	0.7
78.95890	1.4
79.03163	0.6
89.02444	3.1
92.22387	0.6
96.96938	8.0
101.02457	1.2
103.78229	0.6
117.01933	1.3
123.04518	16.3
135.04538	25.3
140.68184	0.7
151.04007	0.9
161.04570	0.8
179.03502	44.4
179.05681	1.2
195.05145	0.8
197.04567	100.0
207.05115	1.5
302.10864	0.6
341.10968	1.5
503.16565	0.9
539.16144	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.162
Annotation	Calycinoside
Peak:m/z	Relative Intensity
54.52277	2.0
54.71836	1.8
72.35481	2.2
72.99311	31.0
75.00883	16.4
80.96513	14.4
85.32953	2.1
89.02418	2.2
122.37686	2.5
123.04569	3.1
135.04520	5.0
159.61647	2.3
161.04533	3.6
179.00191	12.1
179.03520	32.1
179.05617	96.4
195.04979	3.1
197.04556	100.0
198.82874	2.6
208.61783	2.8
332.29645	2.7
359.09912	81.5
539.13776	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61971	0.5
65.87701	0.5
72.99303	44.9
73.70514	0.6
73.71969	0.5
77.49322	0.6
79.65456	0.7
101.02448	0.7
123.04505	17.7
131.57857	0.6
135.04521	22.7
153.71251	0.9
168.15411	0.8
179.03502	45.8
197.04565	100.0
203.17424	0.6
233.27342	0.7
260.58710	0.6
341.10870	1.5
452.03406	0.6
472.90475	0.7
539.16144	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
59.42146	0.4
60.24181	0.5
71.01384	0.6
72.99305	43.7
73.02944	0.6
75.00863	2.7
87.00898	0.5
89.02428	1.2
96.96033	0.8
123.04513	17.4
129.01984	0.6
135.04530	21.8
161.04530	2.2
179.03494	49.0
179.05592	14.8
195.05173	1.0
197.04558	100.0
337.08823	0.5
341.10889	1.2
359.09866	8.1
385.11996	0.6
476.25095	0.5
503.16177	0.7
539.16272	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
71.01376	0.6
72.99302	44.5
75.00793	0.6
76.68592	0.6
94.99020	0.6
96.96960	0.6
105.63670	0.6
123.04513	16.0
135.04520	23.0
141.93460	0.6
151.03978	0.7
153.45630	0.6
162.29539	0.6
179.03497	47.6
181.46637	0.7
197.04565	100.0
292.04565	0.6
312.00122	0.6
313.82056	0.6
327.41544	0.6
341.10889	2.4
476.74200	0.6
537.53577	0.6
539.16144	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93460	0.6
54.41938	0.7
56.49982	0.7
57.03446	0.7
57.24945	0.7
59.01371	0.8
72.50957	0.8
75.00871	3.5
78.95896	3.9
79.88023	0.8
85.02940	7.1
89.02403	0.8
96.96967	9.6
97.02942	15.9
99.00871	3.5
113.02421	1.0
115.04005	100.0
128.29117	0.7
129.01970	3.7
130.08727	0.9
142.65086	0.8
147.02966	11.5
149.74107	1.0
165.03972	3.4
165.13402	0.8
173.04526	0.9
174.91174	0.8
191.05695	1.7
194.45993	0.8
197.04346	0.9
219.59270	0.9
260.53113	0.8
263.07727	68.7
267.58368	0.8
352.67209	0.8
358.31647	0.9
539.13452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.172
Annotation	Vestitol-(5'->3)-7,2'-dihydroxy-4'-methoxyflav-2-ene
Peak:m/z	Relative Intensity
50.35762	0.5
53.19385	0.7
53.85145	0.7
76.60899	0.7
90.70819	0.7
95.05045	0.9
104.69559	0.7
122.45547	0.8
139.03989	7.0
148.64209	0.9
151.04021	6.9
154.62717	0.7
163.00375	4.8
173.06047	3.6
177.01987	1.3
196.24896	0.7
213.05626	1.0
227.10817	22.1
233.15652	0.8
253.08745	3.3
255.06647	56.6
267.06631	10.1
271.09796	100.0
283.09799	58.4
341.05353	0.8
347.03860	0.8
539.17200	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86225	0.7
59.01373	1.7
63.31351	0.7
71.01381	3.0
85.02919	1.1
89.02435	1.7
92.89330	0.7
96.96021	4.7
97.21937	0.7
99.04569	1.2
101.02425	4.8
111.00802	0.9
113.02448	1.7
133.02945	3.4
134.03737	6.9
135.04526	53.0
137.02458	1.4
139.04025	1.4
161.02441	69.2
161.06061	3.2
163.03911	1.2
171.30663	0.7
178.02747	4.8
179.03508	55.1
187.07697	0.9
191.10709	0.9
205.05083	14.1
223.01820	0.8
233.08215	1.5
250.14937	0.8
263.09195	1.2
279.08755	1.1
441.14063	100.0
463.48376	0.8
469.47098	1.0
539.17670	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
60.65727	0.9
61.98818	0.9
67.54108	0.7
71.01377	3.6
71.13609	0.7
73.02952	0.9
80.31010	0.8
81.03439	1.4
85.02907	1.0
99.04467	0.9
101.02421	1.3
101.94534	1.0
113.02460	1.0
115.04002	4.1
119.05037	1.4
121.02960	3.3
133.02943	4.4
134.03711	1.8
135.04530	65.0
161.02440	73.2
163.03938	1.3
167.74461	0.8
178.02737	1.2
179.03505	60.8
222.74846	1.0
277.07037	1.4
319.08160	1.4
365.21484	1.0
441.13919	4.8
534.05554	1.1
539.17676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06543	0.9
51.32124	1.1
54.27155	0.9
54.68403	1.1
62.70486	1.0
72.99300	46.6
110.54344	1.0
114.84777	1.2
123.04523	24.0
128.35039	1.3
135.04517	27.3
151.04037	1.3
169.19798	1.2
179.01924	1.8
179.03500	50.1
197.04562	100.0
257.98343	1.2
288.37103	1.3
345.76611	1.2
354.20761	1.2
379.56885	1.2
396.18732	1.2
431.57635	1.2
442.76660	1.3
552.93884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37482	0.9
56.18698	0.7
59.01368	4.1
65.45817	0.9
71.01363	1.7
72.99306	85.2
89.02422	1.5
89.33246	0.8
92.22537	0.9
101.02401	1.7
123.04523	24.4
135.04524	33.8
151.03993	1.6
153.05527	4.4
153.09204	4.7
177.09219	1.1
179.03503	78.1
185.35820	0.9
197.04572	85.4
221.08147	0.9
228.55347	1.0
350.24890	0.9
479.24805	1.2
495.18536	7.7
539.17706	100.0
555.22351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70356	0.6
56.41328	0.7
59.01364	1.2
65.05508	0.7
71.01369	1.5
81.60529	0.7
85.02972	0.9
89.24915	0.7
92.22553	0.8
93.48421	0.8
101.02422	0.9
115.04001	1.3
117.03500	0.8
133.02940	4.8
134.03763	5.4
135.04524	77.5
137.02420	1.5
161.02449	64.6
178.02750	0.8
179.03502	45.4
213.23363	0.8
263.09232	1.7
327.27386	1.1
423.76895	0.7
441.14072	100.0
539.17841	17.9
539.26099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88008	1.2
55.36740	1.2
58.70745	1.2
59.01373	2.2
69.04543	1.1
72.99305	42.0
72.99696	2.3
76.83282	1.2
89.02449	5.5
101.02448	1.7
121.25600	1.4
123.04506	19.7
135.04538	27.7
149.04530	2.2
179.03499	43.5
197.04570	100.0
399.63776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1986
Annotation	Romidepsin
Peak:m/z	Relative Intensity
59.01381	27.7
60.70636	1.0
63.05963	1.0
70.93748	1.0
71.01381	33.7
71.01776	1.4
73.02969	1.2
83.10115	1.0
85.02953	2.4
87.00870	1.1
88.29592	1.1
89.02439	32.3
97.02940	11.4
99.00805	1.1
101.02438	20.1
109.19230	1.1
113.02434	15.2
115.04010	18.7
116.92864	4.8
119.03487	12.5
124.70660	1.2
137.06313	1.2
139.04024	2.0
143.03513	1.8
179.05687	1.4
219.23579	1.2
240.97385	1.3
259.08273	27.8
277.09222	13.4
450.21829	1.4
539.19910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.0
61.49750	1.2
69.79224	1.1
71.01377	12.6
73.02941	5.2
85.02937	7.0
89.02434	5.5
93.03456	1.3
101.02424	12.7
103.37835	1.2
107.66789	1.3
113.02421	6.2
115.15489	1.4
122.03749	2.8
133.02901	2.7
142.61542	1.2
148.05415	1.2
149.02437	9.4
150.03221	63.9
164.04807	6.8
165.05566	100.0
179.05644	1.6
180.04297	5.0
181.08676	5.4
195.06660	22.4
245.54259	1.3
302.02289	1.5
314.11670	2.6
315.12442	2.1
329.13968	12.9
336.85281	1.3
343.14035	11.2
349.23441	1.4
491.19302	82.9
494.32306	1.7
539.21393	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63729	1.3
55.36291	1.4
59.01385	25.8
71.01377	18.6
73.02943	4.3
83.01391	3.3
85.02953	11.9
89.02437	3.9
95.01360	2.6
101.02432	22.5
113.02437	11.0
133.02945	12.0
134.03712	2.0
149.02412	15.8
150.03224	48.8
151.77477	1.7
155.45639	1.8
164.04758	11.5
165.05551	39.7
166.06314	2.4
180.04230	4.0
181.08717	9.6
195.06683	4.0
213.44058	1.9
314.11633	11.4
329.14044	22.9
343.14032	9.1
389.84027	2.0
491.19254	85.5
539.21460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
59.01387	11.7
71.01388	5.5
72.99278	1.1
73.02950	1.9
83.01383	2.2
85.02956	5.0
94.32225	1.2
101.02460	7.8
102.14044	1.2
105.01968	5.1
113.02469	2.3
122.03764	3.0
133.02979	3.0
149.02438	10.2
150.01991	1.4
150.03224	58.3
164.04807	6.1
165.05565	100.0
166.06418	1.7
167.07143	1.3
180.04321	8.0
181.08760	5.0
195.06641	21.2
195.08150	1.5
314.11734	8.4
329.13901	11.2
343.14117	9.2
491.19302	75.6
521.20819	1.3
539.21625	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06842	2.0
56.98079	1.5
58.97319	1.7
59.01389	26.9
59.85112	1.6
63.03951	2.0
65.98228	2.1
66.55601	1.8
71.01389	18.4
73.02944	13.9
83.01386	4.1
85.02954	11.2
87.00885	2.6
88.84422	2.0
89.02478	2.8
89.39405	1.9
95.01407	2.2
101.02450	27.5
113.02422	4.5
121.03004	2.0
133.02946	4.3
141.55092	2.0
149.02431	14.3
150.03229	42.8
164.04794	13.2
165.05563	59.6
166.06444	3.4
180.04323	3.2
180.93027	2.3
181.08711	10.2
195.06660	8.3
314.11600	13.2
329.13803	29.9
343.14102	8.6
394.30533	2.4
397.10214	2.1
491.19318	85.3
529.20013	2.3
539.21448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2173
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01895	0.9
58.00601	2.3
58.31742	0.9
59.01383	97.8
67.97547	1.0
71.01377	19.8
72.99309	18.1
73.02939	7.4
78.77332	1.1
78.98589	1.8
79.95770	1.4
80.37772	1.0
80.96518	36.8
83.01382	2.1
85.02942	9.6
87.00863	4.9
88.98811	1.5
89.02434	7.1
90.63052	0.9
91.00340	4.3
94.98067	11.9
95.01386	1.2
97.02939	1.6
98.58215	1.0
99.00850	1.8
101.02436	14.2
101.72696	1.2
113.02434	10.6
119.03501	1.7
125.02441	5.8
134.97594	4.9
148.99123	6.1
152.98651	7.7
158.94301	1.1
161.04549	2.6
164.98599	13.8
165.05371	1.1
166.67058	1.0
206.99573	1.2
221.15413	2.2
225.00728	21.2
299.04541	4.7
335.22275	2.1
408.82346	1.2
479.26596	28.5
497.27396	14.6
539.21692	100.0
539.28992	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
72.23261	0.9
75.66217	0.9
78.95905	100.0
96.96930	1.1
125.09698	6.5
127.95936	1.0
152.99576	13.7
153.12859	6.7
158.71347	1.0
187.09764	13.3
197.11890	11.8
200.04149	1.0
215.12892	27.5
255.92690	1.2
265.73206	1.1
267.93112	1.0
539.14850	2.7
539.22662	73.2
542.83411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
54.79626	0.9
57.57140	1.1
59.01368	7.3
60.40249	1.0
70.46361	1.2
71.01363	2.8
75.00840	1.2
85.02922	1.3
89.02409	1.8
101.02428	5.5
113.02464	1.3
125.14739	1.2
125.64431	1.0
127.13429	1.3
135.04660	1.1
137.35422	1.2
202.85521	1.2
367.82892	1.2
461.46530	1.1
479.24982	5.5
503.25266	2.4
539.22577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.8
71.01374	16.1
72.99314	1.3
73.02943	11.1
83.01387	1.9
85.02949	8.3
89.02420	9.8
99.00890	4.5
101.02434	26.4
113.02469	13.8
119.03505	1.5
127.56255	1.1
150.04944	1.4
150.24196	1.4
159.02985	2.7
161.04562	11.4
335.89355	1.5
353.19769	7.6
376.40228	1.3
503.25079	100.0
539.22760	75.3
539.30804	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32819	1.0
55.66312	0.9
57.27530	1.0
57.40221	0.9
59.01377	1.9
61.98832	5.1
67.16853	1.0
70.67781	1.2
71.01378	2.8
73.02911	1.4
76.16098	1.1
78.98587	2.7
79.95744	2.3
80.96052	1.9
80.96516	43.2
81.38275	1.0
85.02979	1.3
94.98091	11.0
97.02882	1.2
101.02443	2.7
102.30060	1.1
106.98093	2.1
122.97560	1.9
125.02480	1.4
134.97546	2.5
136.99104	1.5
148.99156	6.8
152.66379	1.1
152.98651	9.6
156.76913	1.1
164.46292	1.2
164.98625	18.3
167.00090	1.3
206.99721	4.7
225.00731	23.7
239.20168	2.5
293.21109	1.4
299.04459	5.9
320.53287	1.3
487.43222	1.3
539.25391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47207	1.1
59.01104	1.7
59.01384	31.6
60.26236	1.1
71.01381	16.6
73.02948	7.1
75.00874	1.6
83.01402	2.7
85.02952	6.8
89.02443	6.2
96.66982	1.1
99.00871	4.8
101.02437	23.8
113.02466	9.0
113.03104	1.2
159.03049	1.6
160.27814	1.2
161.04588	7.7
233.59924	1.2
347.20850	7.4
425.10504	1.3
479.25198	4.6
539.27252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48381	2.8
53.61353	3.0
58.56083	2.9
59.01382	72.7
71.01372	35.2
73.02947	7.9
76.57667	2.8
80.04681	3.4
85.02978	11.7
87.00858	45.8
88.96130	3.0
89.02442	35.8
99.00861	8.2
101.02435	20.7
101.99534	3.4
113.02447	20.0
117.08648	3.2
119.03501	13.1
121.67800	3.6
129.01863	3.9
147.14471	3.3
152.99597	5.3
172.20018	4.3
263.55603	3.5
283.20404	4.7
299.20135	29.4
328.27173	3.8
343.21448	6.2
359.22598	4.8
389.23297	17.7
479.26587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06904	1.2
59.01384	100.0
67.28281	1.3
71.01382	46.0
71.01715	1.7
73.02948	40.8
75.00912	1.7
77.88988	1.5
83.01355	6.6
85.02950	15.4
87.91554	1.4
89.02441	36.3
95.01377	6.8
101.02437	40.5
107.51789	1.9
113.02451	42.6
119.03500	12.4
125.47870	1.6
131.03564	1.8
143.03508	2.8
149.04543	2.7
152.99643	2.1
161.04582	12.6
163.03918	2.0
179.05634	7.7
200.17163	1.7
210.76244	1.6
218.43987	1.5
221.06630	2.7
225.96164	1.6
229.91710	1.7
267.19708	6.0
297.18317	2.9
317.21255	13.7
335.22366	2.0
353.66867	1.7
385.84369	1.7
479.26532	42.8
497.27661	43.1
539.29010	59.8
540.19348	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90433	0.6
59.01381	16.5
71.01371	1.1
78.95879	1.2
82.31725	0.7
85.25410	0.7
92.23049	1.1
96.48417	0.7
101.02447	1.4
107.73399	0.8
113.02454	1.7
114.49914	0.8
119.03555	0.9
144.21004	0.7
152.99565	0.9
299.20047	6.6
305.37750	0.9
317.21243	100.0
331.23047	1.0
479.26440	11.3
539.27277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2868
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
57.03444	1.7
59.01377	5.5
59.48449	1.0
61.98838	1.3
62.17767	1.2
65.93493	1.1
67.19080	1.1
71.01357	2.7
71.59801	1.0
72.99273	1.8
75.00869	12.2
85.02943	5.1
85.85378	1.0
99.00850	7.1
129.01842	1.7
147.02991	13.7
157.14275	1.4
171.10231	1.7
183.10275	12.3
183.13896	43.3
211.13426	9.0
231.21187	1.5
235.16988	5.5
264.10944	1.1
275.20282	18.0
293.21255	90.0
351.71716	1.3
357.36710	1.2
391.24969	2.5
437.16342	1.4
539.28558	100.0
569.61499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2872
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
52.87917	0.8
55.75689	0.9
59.01383	100.0
61.38065	0.9
61.82900	0.8
64.89301	0.9
70.78999	1.1
71.01381	19.2
72.71273	0.9
72.99302	22.5
73.02938	7.4
77.19056	1.0
80.96546	7.4
83.01350	1.7
85.02946	8.3
89.02434	8.8
91.00372	5.5
95.01394	1.8
101.02450	14.6
113.02446	11.5
117.67202	1.3
120.67279	1.1
120.86559	1.0
125.02448	1.2
139.09265	1.1
148.99150	1.2
161.04559	2.4
164.98633	1.6
165.50203	1.2
181.23683	1.1
223.58730	1.0
225.00806	5.3
335.22116	2.2
479.26547	40.8
497.27673	21.6
539.21625	25.8
539.28766	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2873
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
52.43238	0.8
52.86023	0.8
56.16461	1.0
56.80869	1.0
57.03477	0.8
57.87305	0.8
59.01372	4.3
60.86541	1.0
61.72394	0.9
61.98824	6.9
61.99117	0.8
63.99912	0.8
66.66175	0.9
68.16859	0.8
69.09645	0.9
70.89352	1.1
71.01386	2.5
75.00878	11.4
77.79741	1.1
79.53780	1.1
85.02946	4.1
94.57570	0.9
99.00863	7.1
121.10194	4.4
129.01936	4.2
147.03004	20.0
171.10298	8.6
183.13882	1.4
195.13892	13.3
196.14665	1.4
221.20317	1.2
223.13449	9.8
248.43535	1.3
256.13434	1.2
275.20276	17.8
276.15027	1.2
284.95911	1.1
293.21274	80.6
391.24930	1.9
391.46677	1.2
539.28632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.1
63.90645	0.4
71.01387	0.6
72.99284	0.4
78.95934	0.4
85.02922	0.6
89.02452	0.6
92.17361	0.4
94.94297	0.4
95.01350	0.5
101.02444	0.9
103.59805	0.4
113.02446	2.0
115.16454	0.4
134.28749	0.4
152.99580	1.0
171.88008	0.4
179.07043	0.4
192.97995	0.5
238.27913	0.4
239.64926	0.4
267.19574	1.9
317.21252	100.0
331.22876	1.0
359.22440	0.7
415.52524	0.4
479.26489	6.3
539.21674	1.7
539.29791	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95695	1.0
59.01380	2.6
71.01394	3.9
71.74944	1.0
72.61254	1.1
85.02954	1.4
101.02425	1.0
104.55273	1.1
113.02434	5.4
129.66455	1.1
135.76047	1.2
139.03993	4.6
141.44157	1.2
141.47707	1.3
169.05058	1.3
277.21490	2.0
279.23312	100.0
391.28503	1.6
490.30029	1.2
539.35089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98851	1.3
71.01364	1.9
77.63170	1.3
78.44165	1.3
85.02953	1.6
101.02482	1.6
189.60623	1.7
241.46387	1.5
247.85538	1.5
296.13812	1.3
479.30179	14.5
539.32599	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
71.01382	4.4
78.46777	0.7
85.02961	1.2
88.87208	0.8
89.53280	0.8
91.20500	0.8
92.63720	0.9
101.02470	1.0
113.02453	4.4
118.50138	0.8
119.03521	0.8
139.03998	3.7
220.06224	0.8
279.23318	100.0
311.29712	1.4
311.43652	0.8
391.28531	1.4
432.21426	0.9
436.43518	0.9
539.34119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.6
61.98826	1.2
62.62774	1.1
68.72514	1.2
71.01382	12.5
73.02940	2.3
85.02947	6.3
89.02448	7.8
101.02435	11.2
109.06594	2.0
113.02462	5.8
119.03516	1.6
143.88022	1.3
161.04527	2.9
171.10294	2.5
171.13792	1.4
183.13896	23.8
211.13437	5.3
217.35704	1.6
235.17041	24.4
263.11328	16.1
275.20181	42.8
293.21262	100.0
366.00610	1.5
443.46246	1.3
474.85175	1.5
539.32495	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86681	3.0
59.01381	39.5
60.75298	3.3
71.01382	23.1
73.02937	8.5
73.97417	3.6
92.23016	4.8
101.02456	4.0
116.92872	5.7
119.03521	3.9
125.09733	18.8
177.33557	3.5
187.09770	6.7
214.14474	5.6
242.56819	3.8
273.22107	15.2
277.21759	100.0
291.23389	60.4
295.22565	5.7
319.22827	22.8
328.03674	4.3
539.31708	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01369	1.0
61.26991	0.8
67.61610	0.9
73.66403	0.8
78.95898	1.8
82.10594	0.9
85.69553	0.8
97.06569	7.2
114.24176	0.8
117.92836	1.0
125.09712	100.0
131.66493	1.0
152.99557	1.0
169.08777	1.1
187.09764	57.9
187.11438	2.1
195.13884	14.5
261.13394	9.4
277.21713	15.1
285.89755	0.9
295.22784	42.5
370.15341	1.3
539.35968	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14174	1.0
57.03454	1.3
60.17804	1.0
62.29171	1.0
66.56823	1.1
72.77978	0.9
76.98940	0.9
89.42779	0.9
92.67162	1.0
92.79146	1.1
97.06586	7.0
101.53970	1.0
119.76398	1.0
123.08137	2.3
125.09714	93.3
125.75005	1.0
134.19644	1.3
146.06848	1.1
169.08694	5.1
171.10266	18.4
187.09769	58.7
195.13974	2.3
243.12271	1.8
261.13458	10.2
277.21750	27.0
295.22751	28.1
539.35999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43406	0.9
57.03449	1.3
59.01377	1.6
78.95930	1.1
97.06578	9.4
99.73298	0.8
123.08171	1.8
125.09721	100.0
152.99609	3.3
169.08745	2.0
171.10269	7.2
178.97690	0.9
187.09773	50.5
195.13930	12.8
196.15285	0.8
243.12465	2.0
261.13599	7.5
277.21750	25.1
291.23331	1.5
295.22836	45.0
539.36084	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78228	4.1
53.12657	4.1
59.01387	25.8
63.86906	5.4
64.11395	4.3
66.81401	5.2
67.22439	3.9
68.94752	4.5
80.69716	4.1
85.04111	4.6
92.22529	6.5
101.37020	5.1
112.76035	4.5
115.22317	5.5
117.83636	4.9
136.05302	6.3
137.06145	5.9
139.11235	5.3
151.07642	100.0
154.43129	6.3
255.23401	5.8
419.35434	81.1
433.36801	7.4
479.37057	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93003	0.4
59.53471	0.4
79.98420	0.5
85.06571	0.7
89.66250	0.5
93.06866	0.5
99.97542	0.4
122.18426	0.5
140.99332	0.4
175.18620	0.5
183.13921	6.4
199.13449	1.0
199.40872	0.5
205.70511	0.5
251.20213	12.7
267.19550	0.8
269.21237	100.0
287.22275	10.6
511.53943	0.6
539.43243	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85215	0.8
52.89922	0.8
57.83003	0.8
69.93401	0.9
81.72531	1.2
82.14487	0.9
94.39886	0.9
141.76395	1.0
183.13890	1.7
185.11722	1.1
199.13379	14.7
239.20137	1.2
253.21747	13.3
267.19656	15.0
271.22800	24.1
283.19238	7.3
285.20721	100.0
310.35541	1.2
539.43201	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55023	0.7
59.01380	1.5
61.98795	1.0
71.01382	8.1
85.02941	9.3
93.03452	5.6
96.96016	1.6
99.70639	0.8
102.79549	0.8
110.14400	0.7
113.02416	6.0
130.63051	0.7
135.28906	0.8
145.06493	0.9
156.05791	8.9
169.06619	3.7
170.07358	0.9
171.08162	34.0
187.07645	1.1
198.05746	0.8
215.07156	74.6
247.45169	0.8
259.06122	4.7
319.57275	0.9
442.14728	1.3
493.13550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79329	0.5
58.90078	0.5
59.01378	0.7
60.82153	0.6
61.98816	1.0
67.94604	0.5
78.95910	0.6
96.96044	1.0
104.16002	0.6
159.03236	2.4
160.02847	0.7
160.04057	11.4
161.02440	11.4
176.04834	3.2
186.02043	0.7
188.03546	100.0
190.37296	0.6
193.85147	0.6
204.30661	0.7
208.03769	0.7
235.06107	10.3
279.34970	0.6
288.24304	0.7
319.49045	0.6
329.59061	0.6
332.05597	0.8
337.83313	0.8
424.10434	7.0
427.74948	0.6
440.91333	0.6
535.27417	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95884	0.4
59.01364	0.6
61.98834	100.0
62.10720	0.6
71.01389	1.0
82.81689	0.5
101.02427	0.6
104.72824	0.6
113.02469	0.6
217.21123	0.5
344.04248	0.6
447.76172	0.6
480.24121	5.4
490.83017	0.7
540.23175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.17831	0.6
90.91195	0.6
92.23057	0.6
120.95992	0.6
170.87633	0.6
222.50374	0.6
422.18393	0.7
474.96918	0.8
480.24158	3.6
540.22284	0.9
554.19958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
60.14187	0.5
63.44170	0.5
64.26519	0.6
75.49921	0.6
76.48591	0.6
78.95904	8.0
89.27784	0.5
92.23148	0.7
101.85757	0.6
114.05111	0.6
122.19054	0.6
126.53323	0.6
126.66807	0.7
152.99599	2.6
160.42607	0.6
160.44153	0.6
168.04314	3.0
174.31029	0.6
224.06914	9.5
241.21753	100.0
242.08047	0.8
343.69772	0.7
371.67709	0.6
466.29413	65.0
513.25330	0.7
523.23694	0.7
540.32959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57835	0.6
80.54478	0.6
86.14182	0.7
89.30728	0.7
97.06583	5.5
102.27724	0.8
104.29491	0.7
106.38181	0.7
111.08161	5.9
119.06060	0.9
123.61016	0.7
125.09713	44.4
138.09273	5.9
142.12373	0.8
152.10808	0.9
153.12845	20.1
158.08208	3.3
169.08693	1.3
172.09790	4.2
173.38196	0.7
186.09749	1.5
186.11357	26.5
197.11836	27.8
200.13087	0.9
214.14493	22.5
215.12862	8.8
308.18808	1.5
325.21332	22.7
353.24484	18.3
366.06833	0.8
367.26105	3.1
540.36597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33040	0.5
53.91686	0.5
57.03450	1.0
61.98813	0.6
63.96869	0.5
65.42168	0.5
65.87167	0.5
70.16654	0.6
78.39275	0.5
97.06564	1.1
101.18075	0.6
111.08154	10.0
122.11492	0.6
125.09711	46.7
139.11292	26.2
141.76633	0.6
142.12343	0.7
152.10857	1.4
166.12297	0.6
169.08702	1.2
172.09792	9.4
183.10275	15.2
186.11353	31.3
200.12941	19.7
201.11288	2.7
278.21341	0.7
292.22906	1.0
322.20343	2.6
336.21774	3.5
337.62543	0.6
339.22919	17.6
353.24481	22.4
367.26041	5.4
447.67499	0.8
506.33640	0.7
509.30701	0.6
540.36615	100.0
546.45380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40895	0.8
57.03444	0.7
59.01361	0.6
61.98824	1.6
62.86077	0.7
63.56340	0.5
71.46609	0.5
76.67146	0.6
80.70780	0.7
82.59976	0.6
97.06572	4.8
125.09713	86.5
142.12381	2.8
166.12335	1.1
168.10306	0.7
169.08664	1.5
184.13376	1.3
186.11356	54.1
292.22806	1.5
306.68436	0.8
320.65204	0.7
335.23294	1.1
336.21902	6.3
353.20160	1.5
353.24506	49.1
540.36603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05954	0.6
55.07908	0.8
59.01402	0.8
60.59784	0.6
73.77677	0.7
83.05029	1.1
83.51355	0.8
96.15917	0.7
97.06573	4.5
111.08152	40.6
125.09776	1.4
128.10817	1.3
138.09253	5.0
158.08252	3.5
167.14453	11.6
172.09807	30.3
173.35576	0.8
211.13405	23.5
228.16055	16.5
229.14450	11.3
294.17172	1.1
302.38727	0.9
311.19806	30.4
328.45792	0.9
347.63223	1.0
350.23441	1.2
367.26035	18.8
381.27689	3.3
540.36652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17987	0.5
62.61270	0.5
78.35395	0.4
79.09584	0.4
79.95734	0.9
94.69595	0.5
96.96008	100.0
104.80328	0.4
111.00886	0.6
123.92209	0.5
226.71594	0.6
237.49059	0.5
251.46509	0.6
265.64972	0.6
382.51102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52990	1.4
54.27463	1.2
59.01383	2.7
82.79892	1.5
96.96007	3.5
99.47974	1.5
112.98552	2.7
113.66947	1.5
124.93956	1.6
151.04085	1.9
152.98569	1.6
153.05588	1.7
181.01363	1.5
187.76047	1.6
190.02599	2.2
190.06334	3.3
197.04494	3.1
308.06992	1.9
309.07651	3.6
321.55719	1.8
322.08484	3.0
323.09213	14.7
324.10028	6.9
327.08807	29.2
338.11642	7.3
339.08777	61.0
339.12326	4.6
342.11121	43.9
354.11191	19.2
357.13455	35.0
365.22449	1.9
369.13452	23.1
446.25580	2.0
541.13922	100.0
541.22729	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92463	0.6
62.66494	0.6
72.99304	4.4
77.91966	0.7
82.52597	0.6
93.03451	1.4
119.05009	3.0
123.04495	0.9
132.35518	0.7
135.04510	6.1
163.04016	15.4
179.03502	3.5
181.05066	100.0
197.04530	1.4
201.15981	0.7
319.60382	0.8
343.10355	63.9
371.71906	0.7
403.29593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.4
71.01379	9.0
72.99307	10.1
89.02434	12.4
95.25077	1.3
101.02431	7.4
104.16741	1.2
113.02434	2.9
119.03505	3.1
119.05000	8.7
123.04534	1.9
133.01430	1.4
135.04518	17.5
135.90027	1.5
138.03136	1.5
151.04008	4.9
163.04008	38.5
179.03500	3.4
181.05072	100.0
182.02258	2.2
197.04539	30.1
204.32658	1.4
238.79767	1.4
277.09192	2.1
279.10901	1.8
281.12320	11.1
318.95972	1.8
357.61819	1.6
359.09753	7.7
541.21039	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
64.33010	0.9
71.01374	13.1
72.99304	2.1
74.37151	1.0
75.00855	8.4
85.02956	12.1
87.00868	5.4
89.02439	4.9
93.03450	1.3
95.01345	3.7
99.00870	6.5
101.02380	1.3
103.00398	1.7
103.69709	1.1
111.42545	1.1
113.02439	22.6
117.01913	4.3
125.18505	1.1
134.03743	18.0
135.04497	4.7
149.06064	10.7
153.05516	1.5
155.03447	1.4
155.57115	1.4
160.01587	1.8
161.02409	5.0
163.04111	1.3
175.02605	1.6
175.04025	9.6
178.02721	1.4
179.03493	1.7
186.78593	1.1
193.05084	41.3
204.04237	4.6
207.05104	2.0
219.06602	2.5
237.35751	1.2
247.09933	1.3
249.06161	20.2
267.07101	32.5
291.08664	3.8
438.96542	1.3
443.11890	23.6
541.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31980	0.8
68.24051	1.0
71.01367	1.0
72.99305	74.2
96.95990	1.3
109.02948	1.6
110.30016	0.9
115.68201	0.9
123.04514	28.5
135.04526	32.5
139.40204	0.9
150.66518	1.0
151.04034	6.7
175.07999	0.9
179.03517	72.7
197.04567	80.0
266.98102	1.0
277.07062	4.5
295.08386	6.5
334.33267	1.1
360.20789	1.0
441.71466	1.0
443.15570	1.6
541.19269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19637	0.6
51.20139	0.7
55.89588	0.6
59.01382	5.9
59.21859	0.7
65.40772	0.6
70.96060	0.6
71.01389	6.3
73.02932	1.3
74.76373	0.6
77.01593	0.6
81.42879	0.7
83.04305	0.6
85.02939	1.6
85.84440	0.7
87.00880	0.7
89.02432	7.1
90.87410	0.8
93.46594	0.7
99.00885	5.1
100.62036	0.8
101.02444	4.6
101.92307	0.7
113.02418	5.1
119.03584	1.5
119.05017	31.5
131.03432	1.0
133.02968	4.5
135.04526	63.7
145.02950	8.2
161.02443	38.6
161.04553	2.7
163.04002	58.7
163.87035	0.7
179.03499	55.2
191.07988	0.8
196.69029	0.8
528.58282	0.9
541.19348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
66.42704	0.6
71.01372	3.3
73.02930	1.1
74.41920	0.5
78.95901	0.6
82.62444	0.6
85.02934	1.0
89.02434	4.4
89.86082	0.6
91.31596	0.6
93.03429	0.7
99.00829	0.7
101.02443	5.3
113.02428	3.7
117.03452	0.9
117.93368	0.6
119.05013	62.9
137.02432	0.9
143.03516	0.7
145.02950	25.5
161.02455	2.3
161.04585	0.8
163.04007	100.0
225.11270	2.6
263.11163	1.0
273.34924	0.7
329.32776	0.8
541.19244	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	5.4
59.01632	0.8
69.43384	0.6
71.01366	3.4
71.40774	0.6
72.99295	0.6
75.80382	0.5
76.90950	0.6
80.33287	0.7
85.02970	0.9
89.02425	2.9
99.00853	1.5
101.02435	3.3
111.52270	0.7
112.87760	0.6
113.02441	3.1
119.05016	53.0
121.02957	0.8
143.03354	0.7
145.02945	15.7
150.03157	1.0
151.03976	1.4
161.04503	0.9
163.04007	100.0
193.05069	0.7
194.41852	0.7
205.05113	1.0
272.20923	0.8
541.19226	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31139	0.6
55.01853	0.5
55.71444	0.6
59.01381	8.3
59.89342	0.5
62.07025	0.6
64.37050	0.6
65.35240	0.5
71.01377	7.1
73.02931	0.8
75.00863	0.6
81.95236	0.6
85.02925	1.5
89.02443	6.4
99.00864	3.9
101.02448	7.0
113.02455	4.8
117.03449	6.5
119.03501	0.9
119.05012	10.6
139.24474	0.8
145.02957	100.0
161.02362	0.7
161.04523	3.3
163.04022	17.9
163.68736	0.6
185.97485	0.7
195.58675	0.7
256.43427	0.8
263.11264	1.3
395.15311	1.0
409.15091	1.6
498.22324	0.9
541.19275	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81888	0.6
59.01385	7.4
61.42665	0.6
61.98822	0.7
65.16610	0.6
67.47274	0.6
71.01373	7.1
73.02909	1.7
85.02938	1.3
89.02450	5.4
91.05523	4.9
99.00855	4.0
101.02444	6.6
113.02457	12.2
117.03443	8.1
119.03470	1.5
119.05005	11.6
135.04543	1.1
145.02959	100.0
148.58458	0.7
161.04523	1.8
163.04005	22.2
191.05554	1.6
205.04846	0.9
263.11307	0.9
348.47812	0.8
395.04651	0.7
409.15057	2.6
511.37570	0.8
541.19165	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
66.12601	0.7
66.65759	0.8
66.86481	0.6
71.01390	1.0
71.91685	0.6
72.99306	76.7
75.00867	1.6
78.68156	0.6
82.40366	0.7
101.02397	0.7
109.02939	1.0
123.04515	27.3
125.88953	0.7
135.04538	29.2
151.03989	6.5
177.91313	0.8
179.03511	62.5
182.07587	0.8
197.04578	72.2
277.07135	4.0
295.08298	6.5
436.38348	0.9
443.15497	3.5
541.19263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25935	0.3
58.28487	0.4
59.01385	2.4
59.15873	0.5
66.47387	0.3
71.01388	1.9
71.04998	1.8
71.25974	0.4
73.02937	2.2
75.39973	0.4
78.75717	0.4
85.02946	7.9
87.04545	0.4
89.02451	2.7
97.02944	17.6
97.03574	0.7
113.02464	1.0
115.04003	100.0
117.01911	3.6
119.03517	0.6
127.03976	0.5
139.41135	0.4
173.04532	0.8
191.05643	2.7
227.76624	0.4
310.01324	0.5
367.10480	0.9
425.16525	3.9
520.84515	0.5
541.16101	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04972	0.5
53.65595	0.5
53.74068	0.6
56.74652	0.6
58.47731	0.5
59.01384	2.7
65.79813	0.5
70.12727	0.6
71.05019	1.5
85.02942	6.4
89.02450	1.4
90.37835	0.6
92.23074	0.9
97.02953	19.6
99.90644	0.6
101.02422	0.9
113.02372	0.8
115.04003	100.0
117.01862	1.9
119.03534	0.7
144.88391	0.6
164.07166	0.7
172.46712	0.7
173.04665	0.8
191.05612	2.5
211.84241	0.7
231.55267	0.7
283.17392	0.7
327.12851	1.3
351.10831	0.6
367.10504	4.5
386.52692	0.6
425.16745	4.0
474.84995	0.8
541.16162	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88456	1.6
59.01384	38.1
71.01373	32.9
73.02949	13.7
79.52049	2.0
84.47044	1.9
85.02959	8.4
89.02439	48.2
89.98675	1.8
99.00861	33.3
101.02429	33.5
105.91402	1.7
112.68069	2.0
113.02436	23.3
119.03483	12.8
125.02438	7.4
129.14146	1.6
131.03481	12.3
137.02428	2.2
143.03418	2.5
149.04559	8.9
161.04547	11.0
179.05632	7.9
185.03561	1.9
191.05495	6.4
193.04791	1.9
221.06671	4.2
227.20604	1.9
231.40979	2.0
233.06612	3.0
267.15289	2.0
281.11447	2.6
378.51233	2.2
391.85849	1.8
409.17484	2.4
481.22900	12.5
541.21460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18071	1.3
55.47540	1.4
59.01103	2.5
59.01382	45.6
71.01381	21.2
72.99306	1.6
73.02962	10.4
73.27685	1.2
82.91883	1.4
83.01403	2.6
85.02949	8.2
87.00857	1.5
89.02441	33.0
101.02442	30.7
103.04016	5.9
112.08450	1.3
113.02451	10.7
115.00349	3.2
115.03991	5.6
119.03455	11.9
131.03526	2.6
133.01422	7.4
143.03490	8.7
161.04520	2.4
161.44093	1.3
163.06105	8.5
205.07170	8.7
213.19473	1.6
301.65649	1.5
308.98672	1.5
335.17068	2.2
335.39743	1.6
481.22958	100.0
541.21808	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.26196	0.3
57.03453	0.5
59.01384	32.4
60.29393	0.3
66.75277	0.3
69.03445	0.6
71.01379	34.6
72.99277	0.3
73.02946	6.2
75.00866	0.4
83.01380	2.1
85.02940	7.7
87.00872	1.7
87.04505	0.5
89.02440	37.4
95.01365	1.3
97.02948	2.1
99.00865	3.3
101.02441	24.9
113.02443	16.2
114.26378	0.3
115.04004	0.6
116.92790	0.5
117.05569	2.3
119.03497	10.5
125.02425	2.2
131.03505	6.7
135.02998	0.5
135.04552	0.7
143.03482	2.1
149.04504	3.5
149.32158	0.3
156.13757	0.3
159.02980	1.5
161.04544	7.4
173.04530	1.6
179.03510	0.5
179.05621	0.7
187.13385	6.7
191.05629	30.7
193.05080	0.6
219.06534	0.5
261.09750	4.8
267.06985	0.5
279.10953	1.6
293.08823	0.4
307.63251	0.4
349.18689	10.0
381.94791	0.4
451.12479	0.7
481.22983	100.0
500.18243	0.5
541.21838	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63213	1.3
55.93272	1.6
59.01386	34.0
62.74887	1.5
71.01386	26.2
73.02942	3.3
82.12016	1.5
85.02962	7.4
89.02447	41.2
96.96989	1.6
99.00858	1.9
101.02436	29.8
113.02441	16.3
119.03493	8.5
131.03490	4.2
134.63345	1.7
143.03424	1.9
149.04514	3.2
151.03902	1.6
161.04555	4.2
172.36021	1.6
187.13451	6.9
191.05627	4.0
204.75150	1.7
262.38446	2.0
327.52209	2.0
341.12329	2.7
349.18811	9.8
362.46252	1.7
415.10046	1.9
481.22961	100.0
541.21375	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24383	0.6
51.61367	0.5
53.24780	0.6
59.01369	4.1
59.31901	0.5
66.91281	0.5
71.01370	4.1
78.98582	4.2
79.95734	3.5
80.96513	36.7
85.02921	1.1
87.00842	1.2
94.98086	9.8
97.02958	0.7
101.02438	1.1
106.98060	0.7
122.97566	1.7
125.02425	3.5
134.97586	4.3
148.99144	6.7
152.98590	8.2
164.98598	11.9
206.99664	3.9
225.00787	23.3
241.21712	3.4
299.04407	4.7
392.55612	0.7
493.79211	0.7
541.26923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
62.04037	0.9
63.14273	0.6
66.26145	0.7
71.01367	3.3
73.02924	1.1
78.95926	1.0
78.98590	3.4
79.95738	1.0
80.96053	1.5
80.96514	37.6
85.02907	0.9
87.00846	0.9
94.98086	9.3
101.02415	3.2
106.98047	1.3
113.02398	1.1
117.10114	0.8
122.97564	1.2
125.02452	3.2
127.03991	1.2
134.97578	3.5
136.99121	1.5
137.88046	0.8
148.99106	7.0
152.98595	5.9
164.98666	12.4
181.32092	0.8
185.11754	0.9
206.99721	1.9
225.00768	24.5
241.21727	3.8
280.50967	0.8
295.22769	0.9
299.04361	4.6
345.32037	1.0
541.26862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87188	1.0
59.01380	6.5
59.94762	1.0
61.98824	7.5
63.99245	1.0
71.01375	4.8
78.98578	2.1
79.95730	1.5
80.96510	36.1
87.00842	2.0
94.98083	12.3
106.98064	1.2
114.81799	1.3
115.92001	1.5
125.02425	2.3
134.97566	2.4
148.99100	6.2
152.98593	2.8
153.40727	1.3
155.21762	1.2
164.98604	12.3
186.11426	2.3
206.99709	1.4
225.00758	21.8
236.49281	1.4
299.04446	4.9
328.25003	1.2
541.26947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76935	0.6
59.01379	1.5
61.98821	3.4
69.99565	0.6
71.01374	4.9
73.02934	1.2
78.34410	0.7
78.98578	4.3
79.95741	3.2
80.96514	37.5
81.03452	0.8
83.32080	0.7
85.02937	1.5
87.00846	2.8
90.90285	0.6
94.98086	10.5
97.02930	0.7
101.02429	2.8
106.98074	1.3
122.97573	3.4
125.02427	2.9
134.97568	5.6
148.99138	8.1
151.18170	0.7
152.98590	5.5
164.98619	18.8
206.99693	3.2
225.00771	27.7
241.21674	4.8
279.37762	0.7
299.04562	5.3
331.23706	0.7
408.57587	0.7
468.05676	0.8
541.26929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31337	1.0
59.01390	1.6
63.39118	0.8
66.23091	0.8
68.37898	0.8
71.01365	1.3
78.95908	2.0
78.98597	1.7
79.95714	3.5
80.96516	38.6
85.02946	1.9
86.75070	0.8
87.00870	2.1
94.98071	10.9
97.02932	1.5
100.94653	0.9
101.02419	1.2
105.07969	0.9
106.98106	1.8
117.13486	1.1
125.02430	1.8
134.97603	4.3
143.42497	0.9
148.99098	4.0
152.98564	7.1
164.98622	15.8
167.00241	1.1
170.89781	0.9
178.14238	1.0
184.32343	0.9
184.90956	1.0
196.25406	0.9
206.99648	4.4
225.00740	22.5
241.21779	4.6
254.39716	1.0
299.04367	2.3
339.97003	1.0
541.26953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3027
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
59.01383	100.0
63.33392	1.6
65.28127	1.7
71.01362	10.1
73.02949	4.8
84.80634	1.9
85.02947	8.4
87.00863	3.4
89.02424	4.3
99.00870	2.0
101.02424	12.2
107.08647	1.7
111.68810	1.9
113.02448	13.3
141.73169	1.7
149.88516	1.9
151.07695	4.4
152.94360	1.9
161.04549	4.2
197.59625	2.2
345.22681	3.8
469.94119	2.2
481.28113	53.2
493.96689	2.3
525.27380	2.7
535.11945	2.2
541.30566	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3029
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
52.94820	0.8
58.97223	0.9
59.01384	100.0
70.50085	1.0
71.01374	13.5
78.98180	0.8
83.01376	1.1
85.02942	2.2
89.02439	18.5
91.47251	0.8
91.72552	1.1
93.15540	1.1
101.02436	11.7
113.01723	0.8
113.02397	8.1
119.03542	7.6
120.74663	1.2
120.89544	1.0
154.20674	0.9
176.64423	1.0
179.05563	1.8
240.88319	1.0
459.33136	1.3
481.21045	1.2
481.28085	41.8
525.27069	5.7
541.30121	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3025
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
59.01107	2.0
59.01385	53.6
71.01385	18.1
73.02939	8.7
83.01389	5.4
85.02946	11.3
89.02432	2.5
92.23098	1.6
93.14915	1.2
99.00881	2.1
101.02428	24.4
113.02491	10.4
161.04536	5.3
195.13684	1.6
260.13495	1.3
261.19806	1.3
284.22751	1.5
319.22897	1.9
414.85135	1.3
481.28174	100.0
541.29907	6.3
549.64886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3028
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
59.01388	12.9
63.64775	3.2
71.01380	18.0
73.02940	6.3
85.02927	3.3
101.02428	13.8
113.02417	5.7
130.21590	3.1
144.45154	3.2
148.67700	4.0
161.04497	4.4
201.23949	3.0
231.21756	3.0
299.20087	4.5
319.22824	73.4
481.28119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3026
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01893	0.7
59.01384	100.0
71.01382	14.6
73.02940	6.9
79.30350	0.7
83.01382	3.0
85.02950	5.7
89.02454	3.4
93.97930	0.7
95.01366	0.9
97.02985	1.1
97.69820	0.7
99.00861	1.3
101.02427	11.8
113.02467	7.8
125.02442	0.8
135.04521	1.0
159.03001	1.0
161.04544	3.9
172.31926	0.8
277.21704	1.7
421.25970	1.5
481.28247	16.7
499.29306	15.0
541.22430	1.3
541.30170	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.43847	0.7
61.25061	1.0
69.49821	0.9
71.01374	15.4
73.02950	6.4
83.01388	1.3
85.02938	6.6
89.02448	2.2
99.00907	1.3
101.02443	18.5
113.02458	7.0
127.04033	1.2
151.07402	0.9
159.03059	0.9
161.04607	5.7
164.07057	0.9
225.56238	1.0
225.72420	1.1
277.21756	2.2
354.88104	0.9
364.09143	0.9
481.28262	30.0
499.29028	10.9
541.22534	4.6
541.30365	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41598	0.8
59.01384	100.0
70.25247	0.8
71.01379	17.5
73.02958	8.6
85.02942	7.7
89.02441	1.3
90.81306	0.9
95.01347	1.2
99.00884	1.3
101.02429	16.3
113.02448	7.9
137.02397	1.7
140.88567	1.0
143.03456	1.0
161.04565	2.1
177.65221	1.0
179.72537	1.0
229.64439	1.1
277.21701	4.9
379.89670	1.1
418.74796	1.2
481.28073	21.4
499.29266	15.7
541.30389	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03282	0.3
59.01374	1.9
59.97252	0.3
71.01349	0.5
72.24136	0.3
78.95911	0.4
79.63340	0.3
99.00865	1.9
101.02402	0.6
109.06622	0.7
125.09701	0.5
156.86252	0.3
163.11272	3.3
181.12360	18.5
207.10278	29.2
225.11343	100.0
293.15805	0.5
541.29144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3028
Annotation	Simplexin F
Peak:m/z	Relative Intensity
59.01383	100.0
62.13535	0.7
63.20816	0.8
71.01378	12.3
73.02947	6.6
82.15897	0.8
83.01391	1.1
85.02948	7.3
85.63571	1.0
99.00875	1.2
101.02445	15.5
101.68198	0.9
113.02419	7.2
116.92841	3.8
117.01958	1.2
161.04500	1.0
207.99600	0.9
246.55038	1.0
277.21765	5.2
427.36307	0.9
481.28311	14.2
499.29135	13.8
541.30396	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
59.01385	100.0
63.97403	0.7
69.85094	0.8
71.01381	11.8
73.02959	4.8
74.71097	0.8
83.01408	1.8
85.02946	6.4
87.00852	1.0
89.02454	4.0
95.01424	1.6
99.00893	1.2
101.02445	9.4
113.02451	11.5
125.02462	0.9
143.03436	1.0
150.12656	0.8
161.04620	1.7
183.80016	0.8
217.06641	1.4
226.50031	0.8
259.20978	1.2
277.21674	6.1
354.90735	1.0
481.28137	38.6
499.29471	6.9
541.30420	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3029
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
58.09613	1.1
59.01384	100.0
63.22369	1.0
68.41148	1.1
71.01382	7.2
72.99301	1.1
73.02947	1.9
74.34490	1.2
74.91988	1.2
89.02430	1.4
92.22557	1.4
93.48393	1.4
101.02432	4.9
111.00763	1.2
113.02459	1.7
122.82939	1.2
161.04588	3.2
171.12067	1.5
217.80367	1.3
481.28012	17.9
541.22137	2.9
541.30219	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01366	7.3
61.98816	7.2
71.01369	3.9
73.02930	2.2
75.00859	9.5
75.73337	1.4
85.02946	3.8
89.02432	1.6
94.64901	1.4
99.00851	8.9
101.02412	1.5
102.53841	1.4
122.15207	1.6
129.01875	6.3
138.81935	1.8
147.02988	15.3
165.20851	2.2
171.10274	53.8
172.25963	1.6
229.14542	2.1
277.21759	81.5
295.19458	3.1
295.22803	93.7
393.26218	2.7
541.17725	2.6
541.30103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3059
Annotation	Belladonnine
Peak:m/z	Relative Intensity
50.98555	0.5
51.59714	0.5
59.01352	0.5
61.98844	1.1
62.21894	0.5
63.05814	0.5
65.10374	0.4
70.53669	0.5
71.01389	5.1
75.00861	1.3
78.98590	2.8
79.15816	0.6
79.95724	2.2
80.96519	32.5
85.02959	0.9
87.00861	2.4
94.98076	10.5
101.02435	1.3
106.98062	1.1
115.11872	0.5
122.97559	2.8
125.02409	2.8
127.04036	0.9
134.97559	3.8
135.19806	0.7
136.99115	2.2
148.99150	3.9
152.53323	0.6
152.98584	5.5
152.99683	1.2
164.98640	12.1
206.99768	2.4
225.00761	19.6
246.73022	0.6
255.23491	0.7
268.10654	0.6
294.04227	0.6
311.45181	0.7
336.52005	0.7
541.30591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82079	0.5
64.55058	0.6
71.01373	3.0
73.02940	0.8
78.98584	2.9
79.95726	1.5
80.96516	31.0
85.02903	0.8
87.00887	1.0
94.98063	7.8
97.02927	0.7
101.02416	1.5
106.98096	1.2
122.97533	1.2
125.02420	1.5
128.24947	0.6
129.79474	0.6
130.12537	0.6
134.97591	3.6
136.99112	1.4
148.99124	5.5
152.98601	5.6
154.18805	0.6
164.98631	10.5
173.00348	0.6
206.99666	2.8
225.00760	18.5
541.30597	100.0
552.63940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3179
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
52.71185	1.3
82.00577	1.3
83.01388	2.2
89.56172	1.3
94.67019	1.3
96.99294	2.8
97.13850	1.3
110.00082	21.1
111.00878	73.2
112.76808	1.5
124.98792	34.2
125.99583	12.6
143.24580	1.2
169.98123	1.4
201.01895	2.1
231.71138	1.4
314.97430	1.9
415.32425	2.4
431.31598	2.3
471.31345	2.7
541.31781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03314	0.4
59.01384	0.6
78.95905	100.0
86.36257	0.5
90.18972	0.5
96.96961	17.0
124.62111	0.4
134.77414	0.5
266.42407	0.5
279.23367	2.1
339.30597	0.5
510.44406	0.5
541.33093	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01154	2.4
59.01390	31.5
65.65963	2.5
71.01378	17.6
73.02952	15.3
78.95895	33.3
89.02448	4.1
96.96943	6.5
101.02398	4.6
113.02471	4.0
125.05989	3.5
239.79315	3.4
275.23993	5.4
279.23315	92.5
293.24905	67.2
321.24301	27.1
468.73871	4.0
541.33710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01375	5.3
62.06458	1.2
71.01378	1.6
96.95988	1.8
97.67345	1.2
105.11333	1.1
125.09712	32.1
129.75842	1.4
139.11292	14.9
152.10797	2.9
170.11879	28.8
172.88036	1.2
183.10245	11.2
184.13422	8.5
186.11351	23.0
200.12906	12.8
201.11301	1.7
265.21872	2.2
278.21326	1.7
292.22882	5.8
306.17337	1.4
322.20242	12.8
336.21777	18.6
340.21280	25.5
354.22861	33.7
481.27954	6.6
541.34967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38961	0.7
57.99836	0.8
61.98831	1.1
64.66506	0.8
66.29180	0.7
134.03764	3.4
138.93695	0.9
139.84016	0.8
172.96468	3.6
173.97299	1.1
185.95999	100.0
186.96832	1.9
201.95522	4.5
202.96288	45.3
203.97055	75.0
268.95764	0.9
366.02365	18.0
407.57697	0.9
410.15891	1.1
450.13278	1.0
470.05237	1.0
542.07141	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90432	0.4
53.32746	0.4
56.38433	0.4
72.99303	54.2
115.34835	0.6
123.04510	25.0
134.03758	1.2
135.04527	30.7
143.53603	0.6
151.03996	2.1
154.49785	0.6
160.97108	0.5
165.31523	0.6
179.03503	49.5
185.07298	0.6
196.21831	0.5
197.04567	100.0
198.05006	1.0
215.05670	0.6
302.07629	1.9
317.09985	0.9
331.11987	0.6
332.12289	1.1
343.10178	1.2
344.11020	0.8
380.14398	0.6
542.15790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04734	1.6
53.76728	1.6
62.29538	1.5
65.14115	1.5
99.00881	2.8
113.62207	1.7
118.06689	2.1
125.06077	4.6
151.56358	2.1
157.17804	1.9
163.04001	2.1
169.05077	4.1
189.90993	2.0
194.73325	1.9
216.05138	100.0
354.14597	2.0
447.83279	2.0
528.55914	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74532	1.8
59.44983	1.7
92.23098	2.5
99.00868	1.9
125.06068	3.3
169.05069	2.3
216.05139	100.0
218.80147	1.8
219.59648	2.0
230.11880	3.5
266.33691	1.9
348.32849	1.9
542.15277	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30135	0.4
53.70886	0.4
56.66879	0.4
56.81847	0.4
89.77206	0.4
92.23193	0.5
97.56922	0.4
117.06261	0.5
139.86983	0.4
156.55521	0.4
162.11787	0.5
215.02937	0.5
224.99483	0.5
225.40497	0.4
235.90497	0.6
261.87338	0.5
280.06149	0.8
288.17807	0.6
294.07748	1.0
308.05673	100.0
322.07278	2.2
323.08005	47.3
338.10376	94.4
482.14639	0.9
512.13879	0.5
542.16553	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77541	1.4
59.01368	2.3
67.59583	1.4
78.95902	10.7
81.61002	1.8
92.37592	1.6
113.11294	1.7
116.98943	1.6
203.43811	1.5
246.02980	1.6
251.36572	1.7
283.96643	2.2
308.05655	100.0
322.07343	2.4
323.07990	47.7
338.10379	99.9
338.14444	3.5
542.16504	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96275	0.3
58.77705	0.3
61.50427	0.4
61.98840	0.5
62.69421	0.4
68.88223	0.4
72.99316	0.9
78.94908	0.4
94.46480	0.4
95.71378	0.4
228.28175	0.4
280.06158	1.6
294.07813	2.1
308.05676	100.0
322.07285	2.2
323.08035	43.0
338.10373	91.7
542.16351	4.7
542.24640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.7
60.01706	1.0
61.98822	5.7
63.69873	0.8
69.53702	0.9
71.01369	1.4
83.55656	1.0
85.23045	1.1
101.02455	2.5
113.02442	2.5
114.01925	1.7
130.08667	2.1
161.07239	1.3
161.87399	1.0
271.28137	1.1
294.16296	1.2
302.12991	1.3
306.12778	1.3
306.16153	4.3
308.14124	4.6
318.16162	17.1
319.13309	4.2
320.14069	2.2
332.14221	2.3
332.17712	8.2
333.14807	2.5
334.11969	2.1
334.15646	6.3
336.17184	15.8
347.12631	1.8
348.13455	1.5
348.17178	16.6
350.15253	4.2
352.16599	1.2
358.15616	1.7
360.17191	10.7
361.14594	1.3
362.15366	7.9
366.14709	4.5
376.12772	1.1
376.16962	12.3
378.18353	7.2
380.16400	4.7
386.15369	1.3
404.16187	39.1
410.13608	6.0
422.17230	7.7
430.14359	1.7
448.15210	44.7
466.15961	2.3
480.17780	2.0
482.28986	1.6
492.13605	2.0
500.76019	1.1
524.16882	2.0
527.53986	1.2
542.17908	100.0
542.24860	3.8
542.30737	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86428	0.9
62.90655	1.0
82.02966	1.4
83.89626	0.9
85.02934	1.1
100.04028	4.8
115.03983	1.3
123.04523	2.6
128.03534	34.4
129.01920	6.1
135.04533	5.5
143.72108	1.2
146.04599	6.0
152.07166	6.3
169.05206	1.0
177.15462	1.0
177.38112	1.0
189.31892	1.0
198.34819	1.1
220.09773	5.6
236.09268	33.4
236.19138	1.1
246.07655	1.6
264.08795	25.7
282.09848	100.0
384.59500	1.1
444.15024	5.7
542.18854	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89157	0.7
55.43205	0.7
73.62810	0.8
77.35129	0.8
78.88601	0.9
82.02988	3.6
85.02956	1.6
85.94807	0.8
95.14960	0.7
100.04055	5.6
123.04501	6.1
128.03535	37.2
129.01949	6.5
132.03029	3.5
135.04527	5.0
146.04555	7.1
152.07172	6.3
161.15181	0.8
166.05095	1.5
202.13432	0.9
220.09776	4.2
223.33965	0.8
236.09299	39.4
246.07791	1.9
264.08765	25.8
282.09863	100.0
339.07217	0.9
348.79089	0.9
385.94385	0.9
400.08466	1.0
444.15408	4.4
542.18958	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63979	3.0
56.03760	2.8
62.72566	3.0
66.51766	3.1
67.52209	3.0
68.27061	3.6
68.86511	3.1
82.02982	7.8
84.00909	5.3
86.83290	3.1
86.84577	3.7
96.46587	3.4
96.65694	4.0
104.01248	4.6
112.42065	3.3
112.42868	3.5
120.19411	3.5
126.01978	53.2
139.23573	3.7
506.27930	3.7
542.25281	100.0
542.32880	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
59.24603	0.6
61.98836	100.0
67.35138	0.7
80.28963	0.6
146.60066	0.7
156.26834	0.8
197.10342	0.9
248.61462	0.8
349.02261	0.9
453.65384	0.8
482.28607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39217	0.9
53.72757	0.8
59.40066	0.9
67.09809	1.0
67.19582	1.1
71.79441	0.9
79.05526	2.2
107.03787	5.1
108.04551	9.0
118.02984	25.8
150.01956	4.6
151.02745	23.9
152.03522	14.7
162.01964	22.6
184.91855	1.2
186.09238	13.5
230.08240	27.6
274.07245	47.5
365.98068	1.2
524.34216	1.6
530.88501	1.2
542.34967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88065	1.3
61.98837	100.0
66.40591	1.3
66.54810	1.3
77.46812	1.4
103.09995	1.3
196.02228	1.4
208.03485	1.5
213.29413	1.6
229.00690	1.6
314.58325	1.6
424.91528	1.8
539.95630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53435	1.2
57.06383	1.4
59.88142	1.5
61.98835	100.0
73.18253	1.5
78.71687	1.5
79.40823	1.5
79.82794	1.4
87.08679	1.7
95.83912	1.6
96.53942	1.6
112.95905	1.7
244.40979	1.9
293.68558	2.1
332.62265	2.3
369.05634	1.8
387.65329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01804	0.6
57.03462	0.8
61.98830	1.0
64.71087	0.5
73.09540	0.6
80.52831	0.7
87.87473	0.6
97.06564	4.0
98.03198	0.6
125.09711	67.2
142.12347	3.1
152.10782	3.2
169.08705	2.9
170.11864	6.1
186.11359	100.0
186.66702	0.8
211.60562	0.8
214.14578	1.5
244.07603	0.7
278.21219	0.9
305.22421	1.1
322.20471	4.8
323.23450	5.0
339.22928	45.5
371.25513	31.2
403.12527	0.8
435.20181	0.8
492.34589	0.8
542.38348	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84820	0.4
63.22184	0.3
84.82356	0.3
97.06557	0.5
125.09709	23.0
142.12338	1.9
147.32117	0.5
169.08717	1.4
170.11864	2.7
184.13458	2.3
186.11354	100.0
308.06329	0.5
327.64771	0.4
339.22763	0.9
357.23996	5.2
513.37433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39077	0.4
52.01054	0.4
54.90702	0.4
58.16811	0.4
71.51825	0.4
77.41624	0.5
77.50848	0.5
99.86717	0.5
105.04412	0.5
111.08140	4.7
119.27560	0.5
122.97943	0.5
139.11281	16.6
142.12363	0.7
170.11873	8.4
172.09792	27.2
183.10239	9.7
186.11343	3.2
200.12941	100.0
201.11325	1.9
223.86673	0.5
343.22519	0.9
353.24603	2.2
371.25589	5.5
533.86169	0.6
542.38562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54583	0.8
59.01369	8.2
63.80832	0.8
71.01368	4.3
72.99294	4.9
79.95747	3.7
85.02977	1.5
89.02440	4.2
95.95269	1.2
96.96018	9.9
101.02438	1.2
113.02425	1.5
119.03455	1.7
122.97593	2.0
135.04515	1.3
149.02414	10.7
151.04041	1.0
152.01125	6.8
163.04010	4.9
164.04805	36.8
166.21774	1.1
169.05081	2.0
169.08405	1.0
171.02258	0.9
177.60422	1.0
179.05713	1.6
179.07153	13.4
181.33223	1.1
182.53619	0.9
193.01477	10.4
205.05081	1.5
205.12311	1.5
208.03783	86.8
223.06133	100.0
257.43726	1.1
272.79352	1.1
319.04910	3.9
345.13275	1.8
379.21048	1.1
507.18817	5.4
543.11902	44.2
543.20355	1.7
543.24542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
68.99782	1.1
69.32582	0.6
71.01371	1.0
85.02933	4.5
99.00869	4.6
101.02438	1.0
103.44563	0.8
113.02432	5.6
113.99578	9.9
115.00332	5.4
115.39380	0.8
116.92827	4.9
119.05003	1.3
127.00384	1.6
127.03997	1.0
129.01915	1.5
144.58994	0.8
149.02383	1.8
157.01378	5.4
164.04796	8.4
169.01343	0.8
174.01685	12.3
175.02562	0.9
205.05133	1.0
211.07657	1.2
223.06224	8.2
277.05673	25.9
292.36603	0.8
312.18204	0.8
337.07803	26.5
370.84995	0.9
543.13641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1363
Annotation	Scytonemin
Peak:m/z	Relative Intensity
50.26246	0.3
53.66855	0.3
59.01379	1.1
59.97646	0.4
61.86169	0.4
68.99807	2.5
71.01372	1.8
73.02931	0.7
73.52261	0.4
75.00878	0.7
79.18433	0.4
82.22962	0.4
83.01382	0.7
85.02948	5.2
87.00832	0.7
99.00864	4.8
101.02412	1.8
111.00853	0.9
113.02431	7.1
113.99577	14.3
115.00362	7.6
119.05020	0.4
125.02417	0.5
127.00359	3.2
127.03992	0.4
127.31314	0.4
129.01942	2.7
140.05237	0.4
143.03523	0.5
147.04515	0.6
149.02480	4.3
157.01425	6.5
164.04779	12.4
169.01457	0.6
174.01703	21.0
175.02501	1.5
179.07118	0.7
205.05132	0.7
208.03831	0.5
223.06120	8.6
277.05664	37.2
287.00867	0.4
337.07825	34.0
483.11511	0.8
543.13629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19938	0.7
57.74773	0.8
59.01387	2.1
71.01367	3.3
85.02984	1.0
89.02426	4.5
101.02435	6.0
113.02469	1.5
113.03220	0.8
115.04003	1.0
119.03468	1.8
121.05067	1.8
133.02985	6.6
135.04520	81.6
136.78947	0.8
161.02440	71.7
179.03500	68.2
196.71396	1.0
283.10339	1.6
445.13556	100.0
543.17572	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91848	0.3
59.01377	3.4
71.01363	0.9
79.95734	1.5
87.00876	0.5
89.02450	2.1
90.84272	0.4
96.96006	100.0
98.95589	1.5
98.96419	0.4
101.02450	1.5
104.20882	0.5
111.00874	0.8
113.02403	0.5
115.04003	0.5
119.03484	0.6
121.18217	0.3
151.04021	0.4
155.39160	0.4
172.32370	0.3
179.05637	1.7
191.05702	0.4
197.04689	0.6
459.62000	0.4
499.17920	0.6
543.21411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91844	0.4
57.47958	0.4
60.56964	0.4
61.73196	0.5
72.99306	3.3
119.05015	5.4
135.04530	17.5
163.04016	31.5
181.05078	100.0
356.90591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
61.98851	1.1
71.01377	6.8
73.02967	1.1
75.18826	0.9
83.05029	0.9
89.02431	6.5
93.03513	0.9
101.02438	5.0
105.73743	0.9
111.04431	1.2
113.02448	10.1
119.03520	1.3
121.50297	0.9
127.04025	2.5
132.55894	1.0
139.07635	6.1
145.02919	1.5
146.41713	1.0
147.04550	1.5
149.02420	7.4
155.03535	2.2
163.04071	1.6
164.04810	21.9
165.12872	1.0
171.10268	4.7
178.06384	1.3
179.05585	1.3
179.07101	8.3
188.04848	2.0
190.02707	1.6
191.03580	1.6
203.07220	1.4
204.04358	1.4
205.05049	14.5
206.05836	25.3
207.02954	1.5
208.03763	5.6
221.08195	40.4
222.05379	1.4
223.06131	45.8
237.07684	13.2
250.04877	10.6
262.72162	1.1
265.07187	49.7
292.29141	1.0
295.08356	4.2
325.09192	4.2
337.11038	1.2
337.15073	6.0
359.20810	1.8
415.23410	5.0
467.16562	1.2
483.26221	1.3
499.29028	2.3
508.85010	1.0
510.48602	1.0
543.20880	100.0
543.28448	20.5
556.94128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
61.98851	1.1
71.01377	6.8
73.02967	1.1
75.18826	0.9
83.05029	0.9
89.02431	6.5
93.03513	0.9
101.02438	5.0
105.73743	0.9
111.04431	1.2
113.02448	10.1
119.03520	1.3
121.50297	0.9
127.04025	2.5
132.55894	1.0
139.07635	6.1
145.02919	1.5
146.41713	1.0
147.04550	1.5
149.02420	7.4
155.03535	2.2
163.04071	1.6
164.04810	21.9
165.12872	1.0
171.10268	4.7
178.06384	1.3
179.05585	1.3
179.07101	8.3
188.04848	2.0
190.02707	1.6
191.03580	1.6
203.07220	1.4
204.04358	1.4
205.05049	14.5
206.05836	25.3
207.02954	1.5
208.03763	5.6
221.08195	40.4
222.05379	1.4
223.06131	45.8
237.07684	13.2
250.04877	10.6
262.72162	1.1
265.07187	49.7
292.29141	1.0
295.08356	4.2
325.09192	4.2
337.11038	1.2
337.15073	6.0
359.20810	1.8
415.23410	5.0
467.16562	1.2
483.26221	1.3
499.29028	2.3
508.85010	1.0
510.48602	1.0
543.20880	100.0
543.28448	20.5
556.94128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08923	1.3
56.67529	1.4
59.01379	33.0
63.09228	1.3
71.01380	20.2
72.99281	1.4
83.69386	1.6
85.02934	8.2
89.02431	23.0
95.01414	1.6
101.02436	11.7
113.02443	7.0
119.03468	6.7
132.76454	1.4
149.02441	11.9
153.09372	1.5
161.04509	11.9
163.04053	2.5
163.53923	1.8
164.04793	100.0
171.10246	18.4
178.06326	3.7
179.05582	3.8
179.07143	86.7
190.02739	18.9
205.05089	54.5
205.12346	17.0
208.03769	2.4
223.06221	16.7
292.54660	1.6
297.09821	96.7
469.17130	82.2
543.23260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42599	0.8
59.01091	1.7
59.01376	27.4
59.88313	0.9
71.01379	25.9
72.99293	2.2
73.02930	5.8
83.01350	1.0
85.02948	8.9
89.02428	14.9
89.27303	1.0
93.58801	0.9
95.01380	2.1
99.00881	5.0
101.02432	18.6
101.96996	1.2
104.30401	1.0
113.02429	13.7
115.03984	1.0
119.03497	4.6
149.02419	9.2
153.09166	1.5
159.02950	1.1
161.04550	22.7
163.04001	2.3
164.04779	85.2
165.60332	1.1
166.02704	2.1
178.06320	1.5
179.05763	3.2
179.07129	69.3
181.05023	1.2
183.06606	1.7
190.02711	12.5
205.05051	32.1
205.12331	61.6
206.55522	0.9
222.05330	4.6
223.06038	7.5
297.09799	100.0
297.60684	1.0
357.97125	1.1
367.17648	13.8
385.18625	1.3
469.17178	38.6
543.20233	4.1
547.94263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
61.72226	0.9
61.82107	0.8
71.01379	27.3
72.90681	1.0
72.99306	1.6
85.02946	4.5
89.02438	39.1
92.22454	1.2
95.01321	1.4
95.02468	1.2
96.96011	4.8
101.02446	13.3
113.02454	10.8
119.03494	11.5
135.04509	4.0
149.02463	2.6
161.04579	1.8
163.04039	7.9
164.04800	11.2
166.02731	1.9
178.06451	2.1
179.05612	4.5
179.07153	8.2
190.02768	5.5
191.03574	1.8
192.86058	1.1
204.42633	1.2
205.05083	13.3
207.02965	5.6
220.09351	1.2
222.05240	1.7
223.06142	2.4
274.08368	5.1
289.10843	4.3
293.10226	1.6
297.09808	4.9
297.35446	1.1
321.09821	1.5
365.82941	1.1
454.14816	1.9
469.17206	100.0
543.21069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42599	0.8
59.01091	1.7
59.01376	27.4
59.88313	0.9
71.01379	25.9
72.99293	2.2
73.02930	5.8
83.01350	1.0
85.02948	8.9
89.02428	14.9
89.27303	1.0
93.58801	0.9
95.01380	2.1
99.00881	5.0
101.02432	18.6
101.96996	1.2
104.30401	1.0
113.02429	13.7
115.03984	1.0
119.03497	4.6
149.02419	9.2
153.09166	1.5
159.02950	1.1
161.04550	22.7
163.04001	2.3
164.04779	85.2
165.60332	1.1
166.02704	2.1
178.06320	1.5
179.05763	3.2
179.07129	69.3
181.05023	1.2
183.06606	1.7
190.02711	12.5
205.05051	32.1
205.12331	61.6
206.55522	0.9
222.05330	4.6
223.06038	7.5
297.09799	100.0
297.60684	1.0
357.97125	1.1
367.17648	13.8
385.18625	1.3
469.17178	38.6
543.20233	4.1
547.94263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78944	1.7
59.01384	26.8
65.34197	1.7
66.46082	1.8
71.01383	14.5
77.31990	1.9
83.01410	2.0
85.02917	4.0
89.02405	11.8
93.03439	2.7
93.43430	2.0
101.02414	10.1
113.02409	9.1
117.52557	2.2
127.04005	9.0
134.03693	9.3
139.07663	2.1
145.02965	2.6
149.02409	3.9
151.32069	1.8
155.03564	3.8
164.04819	17.7
171.10249	10.5
173.04558	2.6
179.07115	4.2
188.04749	3.0
193.05038	3.9
205.05121	14.2
206.05901	17.6
208.03780	2.6
221.08223	30.7
223.06155	38.4
237.07643	11.5
250.04715	9.4
265.07190	48.1
295.08179	2.7
325.09412	3.0
337.15091	4.0
483.29877	15.5
543.20758	100.0
543.28308	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62032	0.7
53.59249	0.8
59.01383	42.1
61.93227	0.8
71.01379	20.7
79.86446	0.7
85.02947	1.5
89.02438	44.0
101.02445	19.3
113.02450	15.2
115.03989	1.0
116.15741	0.9
119.03503	15.5
137.58618	0.8
161.04483	0.9
179.05714	1.2
205.42270	0.8
232.75340	1.0
252.78442	1.0
279.10876	100.0
309.41507	0.9
351.89719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68278	0.8
54.54961	0.9
59.01381	47.5
61.31861	0.9
64.13372	1.1
71.01383	27.2
72.99295	1.4
75.10513	1.0
80.92101	1.0
81.61845	1.1
82.00735	1.0
85.02927	2.4
89.02443	49.4
95.01384	1.9
95.88964	1.1
99.04517	1.1
101.02438	23.8
107.05042	1.1
113.02433	16.0
117.47311	1.1
119.03487	17.9
131.03471	1.7
155.03491	1.5
176.60992	1.3
179.05698	4.5
248.29593	1.1
279.10883	100.0
279.23257	2.4
336.79251	1.1
348.22037	1.1
360.67126	1.6
477.03268	1.4
537.93872	1.1
543.22632	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99629	0.7
58.33469	0.8
59.01100	1.4
59.01383	32.4
71.01378	23.5
73.02947	7.6
83.01394	1.9
85.02946	9.2
89.02432	1.3
90.62304	0.8
95.01392	1.7
96.95991	1.0
99.00876	1.9
101.02431	14.7
103.37486	0.9
113.02453	13.0
143.03479	1.4
153.09241	7.2
159.02940	1.8
161.04544	47.5
165.09160	1.6
203.10756	1.4
205.12341	100.0
218.21355	0.9
228.05418	0.9
280.65921	1.0
324.24377	1.1
351.13681	1.0
367.17542	5.0
543.24713	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36083	1.0
57.85049	0.9
58.00598	1.0
59.01385	100.0
61.75113	0.9
64.95567	1.0
70.00529	1.0
71.01381	19.9
71.55283	1.0
85.02950	1.7
89.02443	45.8
97.02970	1.2
101.02437	13.9
103.42142	1.2
113.02430	10.9
115.04018	15.1
119.03490	17.4
131.03473	1.5
143.03481	2.5
152.31992	1.2
154.84229	1.0
161.04568	9.6
171.83566	1.2
179.05620	43.3
280.19678	1.2
380.39691	1.1
427.19562	1.1
543.16235	1.1
543.24615	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54372	0.5
57.03447	1.1
59.01385	17.1
61.18125	0.7
71.01384	7.2
71.01708	0.9
72.99298	3.4
73.02931	1.1
75.00871	10.2
85.02948	14.2
87.00871	4.0
89.02409	3.1
95.01378	3.2
99.00885	6.1
101.02433	2.6
103.00356	1.1
111.69800	0.7
113.02443	14.6
115.00385	1.0
116.80640	0.7
117.01902	1.1
129.01962	1.3
130.63797	0.7
137.14330	0.7
137.98709	0.8
171.10246	1.6
202.26323	1.0
235.17050	20.1
249.06100	5.9
267.07294	1.1
275.20230	19.3
293.21280	7.1
483.29144	0.8
499.28732	1.0
543.28149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2818
Annotation	Pharboside C
Peak:m/z	Relative Intensity
50.26666	0.7
51.65823	0.6
57.03437	0.9
59.01388	13.5
59.03275	0.6
59.44621	0.6
61.30146	0.6
61.98829	1.0
64.26756	0.6
71.01377	7.4
72.99299	3.1
74.42332	0.6
75.00879	9.8
79.78394	0.6
85.02953	11.3
87.00867	4.1
89.02431	3.2
95.01366	2.7
99.00884	6.5
101.02435	0.7
103.00392	1.1
113.02454	13.6
117.01923	1.6
129.01978	0.9
175.02522	0.7
183.14119	0.8
195.13927	7.6
196.14748	1.3
223.13487	5.5
249.06093	5.6
275.20163	3.5
293.21249	20.5
316.45279	0.7
543.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48489	0.6
57.03447	1.1
59.01381	11.4
61.98838	1.1
69.03429	0.9
71.01377	9.2
72.99275	3.2
75.00867	9.3
85.02951	11.3
87.00862	4.4
89.02421	4.4
92.22408	1.0
92.55333	0.8
95.01410	3.0
99.00892	6.3
101.02393	1.1
103.00392	0.9
109.06575	1.0
113.02419	12.9
115.00362	1.0
117.01936	1.0
151.11237	3.3
182.12962	1.0
183.13902	21.5
211.13409	6.7
231.05017	1.0
235.16800	0.8
249.06165	6.5
249.08325	0.8
275.20129	4.9
293.21255	22.0
457.09662	0.9
543.28070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02802	0.5
52.14570	0.6
52.36805	0.7
52.99602	0.5
54.12186	0.6
59.01384	100.0
59.06737	0.6
59.42446	0.7
65.89181	0.6
75.32465	0.6
99.10131	0.7
105.16135	0.6
108.18338	0.8
116.92841	0.6
121.01073	0.7
153.63451	0.6
190.37061	0.7
212.18199	0.6
254.26776	0.7
385.88568	0.8
476.20023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67558	1.1
52.44757	1.0
55.67183	1.2
56.22016	1.0
56.58444	1.2
57.99830	1.3
59.01382	85.9
61.98837	2.2
65.03969	3.1
65.68671	1.2
66.05409	1.3
69.52069	1.3
71.01376	27.4
73.02939	14.8
78.57600	1.3
83.01379	2.6
85.02943	13.0
87.00871	1.6
87.04504	1.6
89.02429	15.0
89.75556	1.4
97.06575	6.9
99.00874	3.3
101.02441	26.3
113.02445	15.5
119.03468	2.8
121.06593	9.2
125.09736	10.6
149.22768	1.3
160.70410	1.3
161.04544	8.3
179.05650	5.4
185.11839	13.5
209.11818	6.6
211.13324	6.4
235.13405	12.8
253.09302	3.1
285.87863	1.5
289.18164	1.9
307.19150	20.8
335.22238	3.0
471.21796	2.5
483.29727	100.0
497.27563	6.5
501.30701	7.1
538.50934	1.5
543.23749	2.1
543.32330	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71022	1.8
59.01382	98.5
61.98823	4.4
66.64063	2.1
66.77252	2.4
71.01375	26.9
73.02950	4.8
83.01373	3.2
85.02954	10.3
89.02431	13.6
101.02419	20.2
111.73975	2.2
113.02457	14.1
119.03476	4.0
124.73186	2.4
129.46481	2.2
137.65205	2.2
155.10738	2.3
156.48291	2.5
161.04553	4.1
483.29623	100.0
543.32391	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01104	1.1
59.01382	26.5
66.75497	0.5
71.01379	12.9
73.02950	4.4
81.26707	0.5
83.01392	1.4
83.48238	0.5
85.02963	5.9
87.00895	0.7
87.04513	4.0
88.98763	0.7
89.02448	9.6
95.01384	1.0
99.00872	1.0
101.02432	14.5
102.79925	0.6
113.02458	7.9
113.91589	0.6
119.03484	3.9
145.32147	0.6
150.95920	0.7
155.10794	0.8
165.12851	10.2
171.10411	0.9
209.11833	4.3
283.37018	0.7
307.19077	0.6
363.25565	4.1
381.26547	11.2
397.91129	0.8
483.29672	10.3
525.30457	1.4
543.31885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31768	2.1
51.50869	1.9
54.88372	2.3
59.01108	3.1
59.01384	69.4
66.01598	2.3
71.01384	30.4
73.02948	4.9
85.02945	14.2
89.02422	4.7
93.37319	2.8
95.01398	2.7
99.00870	2.9
101.02429	24.9
113.02429	14.9
119.03454	3.7
125.09656	3.0
129.98883	2.2
140.68347	2.5
146.80376	2.7
161.04559	16.6
161.94289	2.7
189.80084	2.4
194.39148	2.6
427.21298	13.0
483.29675	100.0
543.32117	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07999	3.4
53.22161	4.0
59.01384	28.0
60.51014	3.9
71.01383	10.7
75.00861	8.4
84.24783	4.3
105.81156	4.1
108.07689	3.8
112.86382	3.5
138.13881	4.1
174.17278	4.8
188.75601	5.3
225.22343	5.5
271.22955	6.8
281.24887	62.2
283.15649	4.3
295.26465	100.0
323.25925	24.7
347.49799	4.3
543.35571	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11943	0.4
97.15863	0.5
106.48041	0.5
109.36345	0.4
148.36433	0.6
164.73065	0.5
164.93732	0.5
225.20444	0.5
225.22237	37.9
271.22800	100.0
271.77393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28776	0.4
70.07807	0.4
72.99303	0.9
76.13064	0.5
115.76068	0.4
194.12413	0.4
262.05124	0.8
263.05869	0.5
278.04520	2.6
291.05350	0.8
293.03320	9.7
306.04041	1.7
307.05051	4.7
308.05664	36.9
320.02020	1.1
320.05505	0.8
321.02805	1.9
322.03812	1.3
322.07211	1.0
335.04410	3.0
336.05173	23.2
337.05939	0.6
350.06827	3.2
351.07465	2.3
352.08533	0.9
354.09940	2.4
367.07031	1.0
382.09363	100.0
544.14612	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85250	0.6
61.98825	3.0
70.31868	0.6
78.09714	0.6
84.08009	0.6
101.93077	0.8
111.13083	0.6
113.82825	0.7
139.34782	0.8
141.19093	0.6
179.03563	1.0
194.05888	4.2
209.08243	7.4
277.03818	4.9
278.04715	1.2
291.05264	1.0
292.06262	4.7
305.03320	61.2
306.04120	100.0
320.05670	62.5
321.06494	14.3
335.08020	61.8
336.04755	0.7
336.08826	23.9
526.15088	1.4
544.16205	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63915	1.0
59.01379	2.4
61.98832	100.0
63.58178	1.2
75.56421	1.1
76.96757	1.2
89.18296	1.1
89.99892	1.2
117.94201	1.2
123.29005	1.0
131.54317	1.2
334.43945	1.4
338.53946	1.2
432.68137	1.5
484.28989	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46246	0.5
59.01377	2.6
61.65834	0.5
61.98832	100.0
62.51268	0.6
62.51598	0.5
65.29751	0.6
74.41572	0.7
99.80731	0.7
185.11858	1.0
187.11783	1.1
544.27747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
61.41615	1.2
63.18885	1.1
63.76626	1.3
65.57380	1.1
71.02491	2.8
85.68105	1.3
96.00902	7.3
98.02460	14.5
109.01697	6.9
114.01943	2.2
114.03701	1.3
118.82122	1.3
129.05847	2.7
130.06630	8.5
130.08727	72.0
138.09253	29.3
139.08745	7.4
140.07158	2.9
161.04861	1.2
166.08727	39.8
168.10303	2.7
189.51328	1.5
194.08311	1.3
199.18190	1.6
202.09874	43.6
204.09039	1.7
210.07661	1.5
225.16011	14.3
233.16597	6.7
235.18080	19.9
243.17128	6.1
253.19073	1.5
261.16074	18.2
270.21802	2.1
279.17160	12.3
307.04794	13.9
322.07214	16.6
323.16165	36.2
413.18472	2.4
526.26709	82.5
544.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32969	1.2
54.55406	1.1
59.01379	23.9
61.54591	1.3
70.02972	1.2
71.01356	1.4
71.50702	1.3
74.23818	1.2
74.49525	1.4
82.02982	23.1
95.01389	2.3
100.80421	1.4
106.59310	1.3
109.66548	1.3
112.04026	8.1
121.06458	1.5
123.71503	1.6
124.03976	2.0
126.01951	9.6
128.39742	1.5
154.05141	2.3
168.02962	1.6
190.80646	1.5
193.86719	1.5
221.27104	1.5
251.23865	1.8
255.23300	100.0
269.24863	73.8
279.23276	1.8
297.24359	3.0
521.37848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85093	1.1
59.94421	1.1
62.10006	1.1
65.53324	1.4
78.95910	6.5
138.20351	1.2
152.99594	1.4
168.04297	2.7
193.90500	1.6
224.07019	6.2
269.24899	100.0
369.94583	1.4
494.32571	55.8
494.39276	2.6
544.32269	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85441	7.4
59.73981	6.5
68.40931	7.3
68.78109	6.9
83.42677	7.8
89.88409	7.2
100.03858	8.0
104.09399	7.8
125.60278	8.6
137.06070	100.0
156.47165	7.8
165.05536	14.7
179.91879	8.7
218.51666	8.3
267.91516	8.3
419.35471	12.5
433.33438	18.9
461.36713	13.6
544.34027	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02457	18.6
125.22563	21.1
126.04871	14.6
135.90915	15.4
137.06078	96.2
139.54878	15.7
165.05518	58.1
291.08603	15.7
301.60062	15.7
419.35364	71.1
433.33325	100.0
461.36734	36.4
508.36450	60.7
544.33936	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76980	12.4
68.01839	19.8
83.54335	15.1
84.08183	18.2
117.58534	17.9
129.33047	17.6
147.31081	17.6
150.17937	15.3
219.89377	19.7
255.23288	100.0
482.57263	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14709	5.0
91.65620	4.8
156.83936	5.6
164.45412	5.2
209.22151	6.0
234.65996	6.0
255.23291	100.0
266.77087	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01772	2.0
55.48756	2.3
66.14195	2.2
71.38655	2.0
88.37234	2.3
95.05038	4.7
109.06599	5.9
137.72539	2.3
145.05116	8.9
229.19043	2.2
235.63177	2.5
309.31714	27.0
354.33643	2.3
355.32260	15.9
519.59515	2.8
544.42432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75465	1.8
56.37272	1.7
57.03442	2.5
59.01383	2.6
62.42276	2.0
67.13865	2.2
74.45663	2.2
84.13464	2.3
85.02937	16.3
87.00869	24.9
111.00877	100.0
121.64722	2.5
122.24049	2.5
129.01941	3.4
173.04578	4.2
191.02010	99.6
191.05573	4.6
353.08752	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85439	1.4
52.76257	1.3
57.03437	2.0
59.01375	2.0
85.02938	16.1
87.00864	28.4
93.03440	3.1
103.18044	1.6
111.00865	100.0
119.84819	1.5
124.31840	1.3
125.97090	1.6
127.17538	1.4
129.01927	9.1
135.03587	1.4
135.04514	13.2
135.40138	1.6
135.73352	1.5
155.03470	2.6
158.30859	1.6
161.02425	2.0
173.00932	8.4
173.04556	41.3
179.03482	30.1
191.01984	91.4
191.05634	44.1
200.55875	1.6
253.29283	1.6
353.08820	46.5
545.18793	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45325	0.9
52.48136	1.0
57.03453	7.2
67.01901	1.1
72.99294	1.1
85.02943	16.9
87.00872	25.6
92.23096	1.4
111.00874	96.9
114.36890	1.2
119.08646	4.5
127.07670	1.6
129.01913	7.1
137.09685	1.7
139.07622	1.4
149.09760	1.3
159.32431	1.3
165.05504	1.4
173.00916	6.5
179.03590	1.5
191.01993	100.0
191.05540	8.2
192.47772	1.1
228.96062	1.2
229.10806	47.7
236.53479	1.1
508.24039	1.2
545.15137	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
57.39467	0.8
85.00977	0.8
85.02946	16.2
87.00871	23.0
90.08237	0.9
96.96032	1.3
101.02447	1.4
111.00880	93.7
129.01930	6.1
130.99869	1.2
155.22096	0.8
173.00925	4.7
173.04430	1.0
191.01993	100.0
303.79160	1.0
353.08670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
71.01381	5.9
73.02943	1.6
78.95905	20.8
89.02437	13.5
92.80270	0.6
96.96002	28.4
96.96960	50.2
99.00874	29.8
101.02471	5.2
113.02438	11.2
119.03487	3.1
131.03479	3.4
135.04529	14.9
149.04597	5.9
159.51567	0.7
161.04572	3.7
191.05699	9.7
199.08243	0.7
240.08258	0.9
247.66318	0.7
301.87967	0.6
315.10944	11.4
447.15140	100.0
545.13007	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52581	0.9
59.01380	4.1
64.99912	0.9
71.01372	2.0
72.64227	0.9
73.02932	1.4
75.27950	0.9
78.95910	16.5
85.38937	1.0
89.02425	10.0
96.95998	41.8
96.96954	45.7
99.00866	23.7
101.02393	1.4
113.02431	8.8
119.03508	2.0
131.03491	1.8
135.04532	15.0
142.16000	1.1
146.65364	1.3
149.04515	4.9
161.04463	3.9
189.10411	1.1
191.05640	8.1
273.16919	1.1
276.96951	1.0
315.10861	10.0
447.15106	100.0
506.34546	1.4
545.12823	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20231	0.3
53.24632	0.4
69.50240	0.4
72.97487	0.4
84.22316	0.4
85.02928	1.9
85.65485	0.4
93.03428	0.8
98.59706	0.5
111.00865	2.1
111.04528	0.5
127.03991	0.8
135.04518	4.4
161.02444	1.9
164.44022	0.4
173.04543	10.7
179.03510	8.4
191.05627	100.0
216.94737	0.4
286.10706	0.6
353.08810	33.5
545.19403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59658	0.2
59.01400	0.4
70.72550	0.3
75.87241	0.3
77.45066	0.3
77.57438	0.3
78.19952	0.3
82.87119	0.3
85.02926	1.3
85.42541	0.3
87.00870	0.3
93.03484	0.5
113.02375	0.4
127.04000	0.5
132.03220	0.3
137.02438	2.0
155.03418	0.3
161.02391	0.6
174.21559	0.3
179.03584	0.5
191.05627	100.0
353.08817	20.6
383.13437	3.2
446.99118	0.3
545.15204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24054	0.3
55.28775	0.2
57.99563	0.2
59.01391	0.3
85.02933	1.4
87.00858	0.5
92.09552	0.3
93.03423	0.6
93.55140	0.3
96.64855	0.3
127.04022	0.4
134.56233	0.3
161.02449	1.5
173.04619	0.5
191.05623	100.0
311.36322	0.3
314.65182	0.3
353.08826	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25390	1.1
69.10736	1.2
71.01405	1.2
84.36556	1.3
85.02923	5.0
87.00869	2.5
93.03439	7.4
109.50794	1.2
110.82262	1.2
111.00887	14.3
111.04472	2.9
115.78661	1.3
127.03977	2.6
132.92006	1.5
135.04526	35.0
137.02449	6.2
142.16521	1.3
155.03485	7.3
161.02368	2.0
168.36049	1.3
173.04556	100.0
179.01921	2.2
179.03510	65.8
191.01984	15.1
191.05638	79.8
211.67308	1.5
244.77597	1.6
353.08838	89.7
480.18735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78922	0.3
57.25141	0.3
59.01383	0.4
61.54823	0.4
61.84877	0.3
85.02954	0.8
87.00865	0.5
102.47572	0.4
110.09044	0.4
127.04007	0.5
161.02400	0.8
173.17201	0.4
191.05626	100.0
216.61145	0.4
353.04456	0.8
353.08804	23.4
545.19397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13103	0.3
59.01386	4.4
67.53603	0.3
71.01387	0.4
74.00301	0.4
85.02950	0.9
87.00886	0.9
93.03457	0.9
105.01920	2.0
113.02398	0.4
118.41526	0.4
127.04029	0.7
135.04529	0.4
137.02440	0.4
141.03447	0.4
147.03015	2.9
161.02455	0.8
173.04524	1.5
179.03531	0.7
191.05638	100.0
210.33626	0.3
295.34946	0.5
353.08862	22.3
360.46982	0.4
413.28726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78922	0.3
57.25141	0.3
59.01383	0.4
61.54823	0.4
61.84877	0.3
85.02954	0.8
87.00865	0.5
102.47572	0.4
110.09044	0.4
127.04007	0.5
161.02400	0.8
173.17201	0.4
191.05626	100.0
216.61145	0.4
353.04456	0.8
353.08804	23.4
545.19397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02705	1.7
56.35954	2.0
56.60561	1.6
59.01388	4.3
71.01377	3.2
72.99309	2.2
75.00866	9.2
76.44555	1.9
85.02926	2.1
93.03455	3.4
101.02466	4.8
105.01928	2.2
137.02425	2.7
164.04796	10.0
173.04565	10.1
175.00322	2.4
190.02762	33.9
191.05638	13.1
205.05083	69.8
223.06091	3.9
252.81505	2.7
293.03360	3.2
294.03708	8.9
308.05573	18.1
309.06039	29.2
321.02609	2.7
336.05090	10.5
337.05682	16.9
382.09479	30.9
383.09711	100.0
469.17178	65.5
471.16968	2.2
545.15265	20.9
572.43213	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
71.01410	0.7
74.30051	0.3
78.95906	3.0
79.95728	1.6
94.98077	0.7
96.55172	0.3
96.96005	100.0
96.96908	7.4
101.02433	0.4
104.45694	0.4
113.58131	0.4
146.51025	0.3
300.92764	0.4
545.20691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04642	0.3
59.01380	3.5
59.48093	0.3
69.63785	0.3
70.72093	0.3
71.01379	2.2
72.99323	0.4
78.95914	1.6
79.95731	1.9
89.02396	0.4
89.54397	0.3
94.98051	0.6
96.96003	100.0
96.96993	2.8
98.71046	0.3
101.02444	0.7
101.52100	0.3
113.02470	0.6
114.23243	0.3
119.04877	0.3
136.42548	0.3
168.04178	0.3
182.37271	0.4
304.08911	0.4
373.85242	0.4
515.12122	0.7
545.15759	0.7
545.22595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21609	0.2
71.01385	1.2
72.99275	0.3
77.97314	0.2
79.95743	1.3
96.96003	100.0
118.80870	0.3
141.60597	0.3
164.09245	0.3
169.05103	0.6
172.76472	0.3
191.05598	0.6
262.33090	0.3
301.02698	0.3
522.65210	0.3
545.15253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92726	0.6
54.04979	0.6
59.01384	11.9
71.01382	12.5
72.21102	0.6
73.02942	4.9
75.11870	0.6
85.02979	2.6
89.02443	20.6
95.01380	1.4
99.00870	40.5
101.02422	5.3
103.99736	0.8
113.02452	14.8
119.03500	0.7
131.03506	4.9
134.82448	0.7
149.04530	10.5
161.04616	5.6
161.09726	1.5
171.11807	8.6
187.11279	5.5
189.12857	57.7
191.05640	9.5
203.10765	3.6
213.12831	0.9
215.10780	1.5
221.11774	1.4
232.10997	2.7
233.06668	5.0
233.11832	27.7
233.14200	1.0
293.08810	4.1
311.09995	3.0
395.17014	1.4
483.22397	0.8
527.21381	100.0
545.23022	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18954	0.6
59.01080	0.5
59.01377	16.0
60.41391	0.5
68.83599	0.5
71.01379	9.5
72.99296	2.1
73.02928	1.1
79.55085	0.6
85.02931	1.3
87.00882	0.6
89.02425	6.1
99.00878	6.7
101.02437	6.4
102.95586	0.5
113.02438	5.7
115.04021	1.1
116.23327	0.6
116.46132	0.6
119.03467	2.5
123.86732	0.6
144.80591	0.7
161.04590	4.0
171.11798	5.8
189.12833	3.4
191.05600	1.0
221.11812	1.3
233.11667	0.8
251.12927	4.0
271.14957	0.6
337.62234	0.6
387.20340	4.6
395.16888	1.1
413.18225	29.4
447.21561	0.6
471.17661	0.9
545.22412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53361	1.0
57.03449	1.2
59.01383	6.8
71.01380	72.9
72.99309	16.0
73.02934	4.8
75.00838	1.1
83.01374	1.8
85.02956	6.6
86.64665	0.9
88.98775	1.4
89.02439	1.6
93.03471	4.6
95.79503	1.1
97.02945	1.8
99.00843	1.5
101.02457	10.3
113.02460	9.6
115.00367	16.0
115.04005	8.2
133.01422	2.5
161.04550	8.2
161.43466	1.1
173.04565	9.4
182.10692	1.3
191.05608	6.9
251.46098	1.2
253.84032	1.1
331.17712	15.0
527.21277	10.1
545.22522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76584	0.8
58.05795	0.8
58.07238	0.8
65.07325	0.6
72.99303	50.7
97.68992	0.8
120.21284	0.8
123.04515	20.9
125.40617	0.8
135.04526	23.7
151.04021	12.6
178.47438	0.8
179.03511	48.3
197.04570	100.0
428.00208	0.9
475.77954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53361	1.0
57.03449	1.2
59.01383	6.8
71.01380	72.9
72.99309	16.0
73.02934	4.8
75.00838	1.1
83.01374	1.8
85.02956	6.6
86.64665	0.9
88.98775	1.4
89.02439	1.6
93.03471	4.6
95.79503	1.1
97.02945	1.8
99.00843	1.5
101.02457	10.3
113.02460	9.6
115.00367	16.0
115.04005	8.2
133.01422	2.5
161.04550	8.2
161.43466	1.1
173.04565	9.4
182.10692	1.3
191.05608	6.9
251.46098	1.2
253.84032	1.1
331.17712	15.0
527.21277	10.1
545.22522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
59.52016	0.5
71.01390	4.9
73.02936	3.1
85.02940	3.5
89.02434	1.3
91.05526	100.0
92.22496	1.1
99.00845	1.2
101.02450	9.7
113.02440	6.0
135.04526	50.6
136.56955	0.6
157.47530	0.6
159.02991	1.1
161.04549	5.0
169.65892	0.6
177.01932	7.8
187.09709	1.0
277.16605	10.3
318.55560	0.6
365.73035	0.6
383.09250	0.9
409.20847	49.0
485.27496	1.0
545.13519	2.4
545.25793	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76865	0.9
59.01384	100.0
71.01381	17.8
73.02950	2.0
73.16643	1.0
80.39143	1.0
85.02949	5.0
89.02436	20.7
93.03465	1.8
95.01385	1.1
99.00907	1.6
101.02436	13.0
111.04483	2.0
113.02444	11.8
116.43123	1.0
119.03468	5.6
127.04009	1.3
137.02440	6.1
143.03539	1.1
149.04591	1.2
153.09195	13.6
155.03516	1.4
159.02965	1.2
161.04550	9.5
179.05669	4.8
191.05650	2.1
207.13901	1.8
225.14992	19.4
243.96474	1.0
332.97595	1.1
353.06729	6.2
387.20270	53.7
492.80652	1.2
545.13055	1.6
545.26526	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2898
Annotation	Cowagarcinone A
Peak:m/z	Relative Intensity
52.88052	3.8
54.96216	4.0
59.72053	3.8
63.57941	3.9
65.02692	4.3
69.43651	4.7
70.23356	5.0
70.27642	4.3
82.77633	6.1
83.05030	5.2
91.34737	4.3
101.05489	5.5
152.99556	6.0
175.91216	4.8
274.08591	5.3
276.77069	5.9
545.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52552	1.9
59.01381	15.2
61.98821	7.8
71.01368	8.6
75.00872	8.9
85.02932	12.7
88.81013	1.7
89.02451	2.6
96.96011	3.9
99.00885	2.6
99.96982	2.1
104.36613	1.8
113.02415	12.6
117.01880	3.4
171.10277	20.1
249.06042	2.7
277.21762	37.1
295.22824	22.4
545.29645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31898	0.9
59.01381	11.7
59.60551	1.0
65.44792	1.3
71.01366	7.5
72.99306	2.9
73.02956	1.1
75.00486	1.1
75.00866	9.6
85.02952	13.1
87.00820	1.4
89.02436	2.9
95.01373	1.9
99.00868	6.1
113.02448	13.8
118.28412	1.2
155.50743	1.3
175.02425	1.5
195.13927	17.7
249.06079	5.6
277.21762	14.9
280.21951	1.3
295.22800	42.5
371.78683	1.2
545.29669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.6
59.01383	12.8
69.75678	0.4
71.01396	1.9
73.02946	0.5
81.67017	0.5
83.01381	0.4
87.00854	0.5
88.14253	0.5
89.02425	3.4
94.98071	0.6
101.02452	3.7
113.02421	2.3
119.03416	0.5
134.81464	0.4
141.90462	0.4
161.04616	0.7
203.99849	0.5
205.19791	0.6
213.68213	0.4
235.08295	0.9
249.18614	100.0
253.09290	10.2
278.57770	0.4
422.30045	0.5
485.27667	4.8
495.14648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80379	1.2
54.56326	1.4
55.90250	1.3
57.93786	1.3
59.01385	17.0
61.98843	1.5
62.69907	1.5
71.01385	3.9
75.57050	1.7
88.98809	6.8
89.02439	7.8
101.02413	6.3
111.08134	1.9
112.40154	1.5
113.02457	2.1
121.10201	2.0
125.09706	1.8
137.09767	2.7
140.88736	1.6
169.12289	1.8
171.10228	2.5
174.47810	1.8
185.11801	3.1
197.11778	3.0
241.04184	1.7
247.20743	2.0
248.16266	1.7
253.09302	15.2
275.20261	11.1
291.19678	100.0
309.20847	3.1
545.28662	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56290	0.4
59.01381	11.1
71.01371	1.1
83.05032	0.6
89.02438	2.2
94.03997	0.5
101.02417	4.0
113.02453	1.1
119.03507	0.7
138.72549	0.5
161.04587	0.9
205.19638	0.8
231.17552	0.6
235.08301	2.2
249.18620	100.0
253.09277	11.8
389.81360	0.5
403.17221	0.5
485.27982	4.1
532.51300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01382	12.4
61.98828	2.7
71.01378	6.5
73.02940	1.2
79.71033	0.9
83.05012	10.2
87.00906	1.1
88.98779	1.5
89.02431	8.9
92.22459	1.1
101.02412	9.4
113.02415	4.9
121.10220	1.7
121.97676	1.0
125.09666	1.4
137.09691	1.8
161.04587	1.9
164.55182	1.0
171.10243	2.6
179.05579	1.7
185.11778	1.3
195.13884	6.0
223.17096	11.2
253.09299	24.4
273.18665	2.1
275.20178	8.9
291.19702	100.0
309.20639	4.3
346.67767	1.2
380.07965	1.1
545.30627	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29514	1.2
57.03444	1.7
57.88263	1.4
59.01384	25.2
69.03454	1.4
71.01373	11.6
71.05006	2.5
73.02922	3.2
79.47934	1.3
85.02922	3.3
87.00804	1.3
89.02436	14.4
92.22555	2.2
97.06588	1.9
101.02442	13.5
111.08192	2.0
113.02450	7.2
119.03474	2.5
137.09750	3.5
161.04623	3.8
169.12383	1.7
171.10278	24.2
195.10220	3.6
195.13969	3.0
197.11815	13.7
205.16037	1.6
209.15479	55.9
209.17482	2.6
221.15526	3.9
223.17010	18.7
225.15050	3.5
233.15436	10.5
251.16554	30.2
253.09311	65.9
273.18594	9.5
291.19724	34.3
309.20782	100.0
417.55676	1.8
545.31714	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18536	0.8
52.13313	0.7
59.01382	100.0
60.20348	0.8
71.01374	9.8
72.99320	0.9
73.02947	4.7
83.01372	1.5
85.02965	1.8
96.96009	1.6
99.68311	0.8
101.02448	8.8
113.02441	5.9
125.09697	1.0
161.04483	7.0
209.35321	0.9
483.58704	1.0
485.24771	1.0
485.31238	28.9
545.26898	0.9
545.33521	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48941	0.3
59.01381	2.1
61.11803	0.3
61.98835	0.3
63.84132	0.3
67.14660	0.3
67.29343	0.4
71.01377	0.9
77.39275	0.4
77.47507	0.4
84.04544	0.7
85.02945	2.4
89.02442	0.5
99.04516	1.5
101.02402	0.5
113.02444	100.0
115.04009	0.5
117.99261	0.4
123.04485	0.6
144.90236	0.5
181.91052	0.4
190.51823	0.4
195.70880	0.4
221.32494	0.4
225.15048	0.4
287.12872	0.4
308.40939	0.4
385.11386	1.8
388.20764	0.7
432.11536	6.0
499.14685	1.5
546.14728	11.1
546.22498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72604	1.0
57.12150	1.2
60.71179	1.2
61.98834	5.8
65.20043	1.2
65.85133	1.2
75.32465	1.5
89.84487	1.7
93.80062	1.6
96.89462	1.5
142.65797	1.4
161.02432	2.7
176.04874	5.4
179.03505	3.4
179.07054	1.6
191.07048	4.4
194.05865	19.8
209.08205	40.2
278.04599	1.6
294.07724	1.7
306.04025	10.9
307.04892	55.1
308.05695	100.0
322.07266	72.2
323.08026	39.2
336.08804	36.8
337.05832	3.0
337.09576	50.1
338.10358	33.4
528.17059	1.7
546.17841	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.178
Annotation	Cyclorocaglamide
Peak:m/z	Relative Intensity
50.87867	1.0
61.98830	16.0
65.00307	2.6
77.07296	1.2
91.01877	23.6
108.02163	23.4
111.00896	2.8
113.73318	1.3
123.04508	100.0
124.01678	1.5
124.23234	1.2
127.88089	1.4
134.03728	2.3
141.03444	2.6
143.05016	2.3
144.55807	1.4
158.03613	1.7
173.06082	6.7
176.03477	2.9
190.05101	28.5
191.05827	3.2
193.05130	1.9
206.08263	25.0
250.06325	2.1
265.05130	1.5
279.06586	3.2
280.07413	16.0
281.08575	1.7
293.08118	7.4
295.09674	18.2
296.10516	4.7
309.11359	7.6
311.12906	8.7
528.15637	1.9
546.09131	2.2
546.17682	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96900	1.8
53.92636	1.7
61.98836	9.7
87.06762	2.3
96.69682	1.9
111.36980	2.1
115.64033	2.3
165.12842	12.2
168.97153	2.2
183.13908	100.0
209.11855	2.7
227.12859	14.1
299.16602	5.0
454.20926	2.5
472.21213	4.2
526.89410	2.6
546.21356	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96713	4.3
58.39808	5.5
59.01378	70.8
61.98821	5.6
65.80766	5.3
71.01376	64.5
73.02961	12.0
73.09815	5.5
85.02949	50.6
89.02394	7.2
101.02415	9.4
113.02422	28.0
144.04489	6.8
161.04544	9.3
169.48351	6.5
173.04547	8.5
178.14833	6.9
233.06670	8.9
460.24365	8.9
486.19901	100.0
546.26959	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01381	100.0
59.27187	1.0
60.33715	1.1
61.85506	1.4
65.35902	1.2
72.78561	1.3
73.02972	1.9
83.01384	10.1
91.04032	1.7
96.21095	1.2
101.02438	3.3
114.05586	1.4
141.46191	1.5
157.05043	7.2
175.06131	24.2
193.07127	3.3
240.17239	1.6
269.24857	99.9
387.29932	1.4
414.56497	1.5
427.30643	18.4
445.31754	52.3
472.36346	5.5
487.32837	57.1
506.83719	1.5
546.39569	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98272	0.3
55.68034	0.3
63.99866	0.4
65.66862	0.3
73.90776	0.4
99.61162	0.4
100.03998	0.4
122.67683	0.4
133.02908	0.8
145.62637	0.4
178.99840	0.9
190.99910	0.8
197.04642	0.4
205.98579	23.6
206.99353	25.5
208.00136	2.0
221.00911	53.6
221.04407	1.4
222.01707	56.7
233.00790	0.4
267.35928	0.4
283.26404	2.3
304.44656	0.4
353.05054	0.8
369.04663	32.9
370.05270	2.0
384.06943	0.5
385.07791	7.4
532.10229	0.7
547.13104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
72.99298	1.1
89.02427	1.1
91.66204	0.8
96.95991	6.4
98.95570	3.5
99.92582	1.2
103.33004	1.1
116.92898	1.3
117.18756	0.9
133.01399	1.2
140.94417	0.9
141.36574	0.9
143.43834	1.0
151.45958	0.9
205.98628	7.9
206.99356	57.6
208.00136	88.7
221.00908	24.6
222.01697	33.9
223.02486	73.3
235.02596	1.9
259.02704	0.8
269.32123	0.9
312.97562	1.0
359.11890	1.1
369.04565	3.6
370.05417	23.4
385.07803	43.9
547.13141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81502	0.4
59.01377	1.1
62.84538	0.4
65.05791	0.4
70.60587	0.5
71.01389	0.5
73.01109	0.5
76.64288	0.5
84.31128	0.5
84.31693	0.4
85.70387	0.4
87.00860	0.5
93.03458	2.0
103.91362	0.4
105.40942	0.5
107.05024	0.5
113.73849	0.5
134.03746	1.0
135.04527	100.0
161.02428	1.9
164.04828	0.8
166.02716	3.1
171.10260	3.1
173.04555	2.3
174.30734	0.5
179.03508	94.9
180.67459	0.5
181.05103	4.8
190.02747	4.0
191.03523	1.2
193.04997	4.9
205.05101	6.7
223.06139	0.6
297.44418	0.6
341.08832	1.1
353.08792	2.8
356.65488	0.6
367.10394	5.2
389.21863	0.6
547.14703	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81502	0.4
59.01377	1.1
62.84538	0.4
65.05791	0.4
70.60587	0.5
71.01389	0.5
73.01109	0.5
76.64288	0.5
84.31128	0.5
84.31693	0.4
85.70387	0.4
87.00860	0.5
93.03458	2.0
103.91362	0.4
105.40942	0.5
107.05024	0.5
113.73849	0.5
134.03746	1.0
135.04527	100.0
161.02428	1.9
164.04828	0.8
166.02716	3.1
171.10260	3.1
173.04555	2.3
174.30734	0.5
179.03508	94.9
180.67459	0.5
181.05103	4.8
190.02747	4.0
191.03523	1.2
193.04997	4.9
205.05101	6.7
223.06139	0.6
297.44418	0.6
341.08832	1.1
353.08792	2.8
356.65488	0.6
367.10394	5.2
389.21863	0.6
547.14703	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1678
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
56.23570	0.9
57.03434	1.1
59.01386	15.5
61.84274	1.0
71.01383	12.7
76.23495	1.2
85.02957	10.6
87.00888	2.3
87.39017	1.2
89.02449	11.2
95.01376	5.0
97.85410	1.1
101.02445	7.4
113.02447	28.9
119.03504	2.3
121.66579	1.4
142.21921	1.1
147.04497	6.5
149.02440	24.2
161.04573	4.9
163.04013	2.2
164.04802	69.9
179.07108	8.4
179.39919	1.3
190.02733	54.9
191.05612	4.9
205.05084	77.7
206.05872	2.3
208.03807	5.9
214.73497	1.4
221.08258	7.3
223.00177	1.4
223.06137	70.1
265.07224	17.1
295.08255	6.7
299.56427	1.3
325.09311	7.7
367.10419	5.1
385.11386	16.6
442.87518	1.6
547.16766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88137	0.5
59.01374	3.3
63.24471	0.4
69.03486	0.5
71.01374	0.8
72.99307	2.9
73.02949	0.4
75.00870	100.0
78.21136	0.4
84.30817	0.4
85.02960	0.6
89.02448	1.9
101.02464	0.9
113.02446	33.7
161.09712	0.6
161.13365	0.5
173.04474	1.0
187.11331	0.8
191.05637	0.9
209.17856	0.5
257.47849	0.5
273.78165	0.5
275.66818	0.5
547.16388	2.7
547.24170	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1675
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.10770	0.7
57.66821	0.7
59.01379	9.1
71.01376	9.3
73.02948	1.2
76.03928	0.9
85.00220	0.8
85.02934	1.2
87.00859	4.1
88.98800	5.2
89.02438	10.1
101.02439	8.7
112.91261	0.9
113.02469	8.4
115.00340	1.6
119.03487	1.0
147.04535	1.4
149.02417	11.7
164.04802	42.1
168.94139	1.0
175.00375	3.5
179.07135	8.6
190.02727	46.4
191.05641	6.4
205.05061	78.1
206.05867	6.9
208.03847	7.2
221.08212	10.2
223.06123	46.3
237.07751	2.2
247.05835	1.1
250.04829	3.4
265.07208	22.0
295.08417	4.4
325.09332	9.3
367.10278	4.0
385.11407	10.3
465.88589	1.0
547.16748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
62.02478	2.1
63.86451	2.0
64.91328	1.8
67.01863	2.9
70.49029	1.8
71.40485	1.8
73.00704	2.1
80.34020	2.1
87.00863	3.9
93.03436	22.5
94.32880	2.7
111.04504	2.9
116.90796	2.2
134.03725	2.3
137.20155	2.0
173.04512	10.9
191.05618	100.0
193.05060	4.9
243.91360	2.3
272.48242	2.7
367.10400	47.4
405.63452	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87073	1.5
59.01384	31.4
71.01372	2.9
89.02443	3.4
89.51367	1.5
94.00085	1.4
101.02419	4.1
109.02935	9.5
111.00879	7.9
113.02395	2.1
119.05016	14.0
119.48483	1.5
123.04504	4.0
125.21611	1.6
127.14574	1.5
135.04478	2.3
145.02908	3.2
149.06088	10.6
153.01941	21.3
159.04526	6.7
161.06013	12.0
163.04013	49.0
165.04059	13.2
176.04802	25.4
179.03506	6.4
179.07159	2.2
187.04033	3.2
191.02028	2.8
191.07153	100.0
205.05049	3.4
235.06099	58.2
252.61739	1.7
253.07231	1.9
265.07114	9.3
281.10489	7.4
325.09335	99.4
327.07220	4.1
385.11258	2.0
397.11441	10.2
427.12698	3.5
457.13269	9.6
487.14563	16.5
547.17041	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
59.63354	0.7
60.99332	0.8
65.41473	0.8
67.01878	1.5
68.22752	0.8
69.03476	1.1
71.01388	4.3
73.02982	1.0
85.02941	1.5
85.06593	1.9
87.00876	6.1
88.47449	0.8
89.02459	2.0
92.23118	1.3
93.03448	20.8
99.00860	1.3
101.02420	1.0
111.04511	5.5
113.02457	1.5
115.00371	3.6
116.16355	0.7
118.41218	0.7
129.01942	0.9
131.07143	14.4
134.03720	1.7
155.03497	1.0
173.04550	10.8
175.02438	5.2
191.05624	100.0
193.05016	6.7
200.70461	0.9
245.90866	0.9
272.78284	0.9
352.99249	0.8
367.10388	45.3
367.15140	1.5
415.16159	4.3
547.15509	1.8
547.26093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
61.05935	1.3
61.06363	1.5
70.94871	1.4
71.01359	1.8
89.02419	3.0
94.72855	1.4
103.70702	1.5
113.02449	3.9
123.04499	3.4
149.02475	2.5
158.20441	1.9
162.99878	1.5
164.04787	29.7
177.53989	1.6
179.07158	13.1
188.04828	1.6
190.02727	8.5
191.03574	2.0
203.07030	2.6
204.04099	1.7
205.05061	31.1
206.05844	36.8
207.02971	8.7
207.06554	2.6
208.03745	10.8
221.08203	46.7
222.05368	5.7
223.06140	54.5
237.07715	19.7
244.76855	1.6
250.04886	18.0
265.07184	100.0
295.08212	30.4
298.97696	1.7
310.07208	2.5
325.09262	34.7
353.08704	2.2
385.11475	25.3
547.18323	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
61.98816	1.5
66.55778	1.0
71.01380	7.3
72.99294	0.9
73.02950	2.0
74.85447	1.0
75.00857	0.9
81.56560	1.0
85.02943	4.1
89.02433	5.7
99.00856	1.3
101.02441	7.3
113.02430	3.5
119.03487	1.3
120.69645	0.9
134.31264	0.9
143.03453	1.7
146.03726	32.0
149.02434	4.1
154.31435	1.0
161.06058	15.4
163.03937	1.0
164.04793	38.9
173.11826	9.7
175.00333	5.7
179.05661	2.2
179.07130	46.0
185.08115	1.7
190.02730	70.3
191.03406	1.1
205.05061	94.0
206.05748	1.1
215.12901	1.6
223.06133	10.0
261.67606	0.9
367.06100	1.8
367.10364	32.5
389.21857	14.7
449.24188	1.9
547.18317	100.0
547.27155	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.4
71.01381	27.5
73.02944	13.8
81.23548	1.1
83.01387	8.2
85.02952	10.2
87.00838	1.7
89.02431	9.5
90.32664	1.3
92.22877	2.3
97.02924	2.0
99.00884	13.1
101.02434	35.7
113.02441	17.2
125.02415	3.1
143.03549	2.1
143.81238	1.4
155.69112	1.5
159.02936	1.9
161.04552	19.8
265.06940	1.3
269.10321	12.3
401.14636	1.7
415.16168	15.3
431.15756	5.6
547.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77024	0.7
59.01388	7.4
71.01382	1.4
73.64895	0.6
85.02979	0.7
86.04797	0.6
87.00870	100.0
89.02465	1.5
91.56468	0.7
101.02442	1.2
109.39059	0.7
113.02468	1.2
115.03982	1.8
173.04530	1.2
191.05620	1.5
202.20270	0.7
387.19894	0.8
389.21017	1.3
392.32526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2364
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
59.01373	2.5
61.91076	1.0
74.49450	1.1
87.00734	1.1
94.49265	1.1
108.04594	1.0
108.30388	1.1
136.29195	1.2
137.72688	1.2
225.14958	5.3
255.23463	1.3
277.21707	2.6
337.49423	1.3
353.54703	1.2
361.24072	1.2
432.23322	2.0
443.22525	16.9
444.23376	12.0
447.25641	18.4
457.24063	4.3
459.18381	2.5
459.25574	5.8
460.23169	21.4
473.19669	2.0
474.20349	36.3
475.25333	18.5
488.22076	13.1
503.24615	24.9
519.24005	1.7
546.03851	1.2
547.23572	100.0
547.36353	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15561	1.2
51.13533	1.2
51.39375	1.4
51.74232	1.1
53.40708	1.5
53.87053	1.2
59.01392	1.6
61.18809	1.6
72.99303	46.3
101.02435	2.4
123.04523	20.0
126.31654	1.6
130.47510	1.5
135.04523	24.2
179.03490	42.5
197.04559	100.0
349.15057	12.4
388.29257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95393	0.7
59.01382	1.4
71.01363	0.7
72.99306	47.3
87.30219	0.7
87.53726	0.6
93.51368	0.6
101.02429	1.1
123.04523	19.7
135.04529	25.1
151.04028	1.1
167.47287	0.7
179.03513	54.4
197.04573	100.0
215.05568	0.9
349.15097	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88170	0.7
54.49977	0.8
59.01104	1.4
59.01384	30.1
68.21008	0.9
71.01011	1.3
71.01383	31.8
73.02952	11.9
75.00870	0.8
83.01394	3.9
85.02950	10.7
87.00829	1.1
89.01937	1.7
89.02441	25.3
89.11977	0.9
92.19212	0.9
95.01374	1.2
99.00902	9.2
101.02441	35.4
113.02451	20.7
119.03476	4.3
125.02370	1.6
129.09203	2.1
131.03525	3.3
149.04561	5.5
159.02956	1.6
160.33383	0.9
161.04599	11.0
161.51646	0.9
171.10326	1.5
189.11325	17.4
191.05609	1.9
191.84535	0.9
285.06943	1.1
321.70383	1.1
322.07361	1.1
353.19513	1.2
389.21893	2.0
398.24158	1.2
473.23761	1.4
485.24091	4.7
487.21902	8.4
503.24939	5.5
517.23029	2.2
529.22681	6.2
547.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2557
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
54.39397	1.0
55.01876	1.3
57.50537	1.3
59.01385	65.9
65.31707	1.2
70.88409	1.2
71.01373	23.6
72.99303	1.2
73.02941	1.5
80.49761	1.1
85.02940	6.4
89.02444	33.1
95.01364	1.5
101.02443	19.1
113.02444	10.4
119.03519	9.5
195.30652	1.4
205.23521	1.7
234.09099	1.3
254.13065	1.6
323.20038	7.5
390.39218	1.4
503.26709	23.0
547.25543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55999	0.8
59.01383	100.0
71.01390	9.9
73.02946	1.8
81.42140	0.9
83.01401	1.1
85.02944	4.9
89.02458	1.3
99.00846	2.0
101.02448	7.4
113.02441	4.7
119.96178	0.8
161.04558	6.1
197.79697	0.9
237.17120	0.9
263.06549	1.0
265.46103	1.0
374.34103	1.1
389.21890	40.2
475.02414	1.1
547.13971	1.0
547.27386	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15856	0.6
57.03469	0.8
58.19593	0.6
59.01385	100.0
61.92715	0.8
61.98851	0.8
71.01378	16.3
73.02947	5.8
75.11543	0.7
78.63100	0.7
83.01387	1.7
83.10984	0.7
83.43854	0.8
85.02951	7.4
89.02442	3.9
99.00885	3.6
101.02457	16.4
113.02441	8.4
119.03458	0.9
159.02943	0.8
161.04547	7.6
175.04033	0.9
227.16451	1.0
301.65588	0.8
307.89212	0.8
321.13354	0.8
388.77661	0.8
389.21893	64.8
547.16290	1.0
547.28748	16.7
550.06244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
71.01368	1.8
73.02936	0.5
85.28938	0.4
89.02444	1.1
101.02444	2.7
113.02419	0.9
119.03425	0.5
152.41702	0.5
161.04532	1.0
171.64325	0.4
235.08205	1.0
251.20180	100.0
253.09338	9.6
443.90936	0.5
487.29202	4.4
497.35703	0.5
552.52893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37999	0.2
52.59985	0.2
69.03457	0.3
72.99313	2.5
79.69233	0.2
83.01389	6.4
83.05029	0.5
85.02950	1.2
88.23846	0.2
101.02458	1.9
107.51461	0.2
111.04510	0.4
113.02447	100.0
114.99115	0.2
120.73470	0.2
162.85881	0.2
175.91373	0.2
178.05005	0.2
191.05678	0.2
205.77238	0.2
348.37247	0.2
358.15286	0.3
427.70239	0.3
474.12451	2.7
530.11725	0.4
548.12659	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25599	0.7
51.22384	0.6
51.29692	0.7
67.87680	1.1
72.42361	1.0
80.71771	0.9
83.72087	1.0
101.00654	1.5
110.06122	1.0
111.00870	30.9
113.99756	1.0
120.01234	100.0
123.04515	11.4
130.76370	1.0
137.28018	1.0
149.89563	0.9
153.05565	53.2
191.57631	1.0
232.02812	5.0
315.10849	16.8
317.98987	1.1
367.78925	1.0
427.12817	1.2
548.14532	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
53.01228	0.5
53.42766	0.5
55.45378	0.5
56.19986	0.5
57.00613	0.5
61.64314	0.5
61.98833	100.0
65.65352	0.5
66.86480	0.6
67.32101	0.5
92.23158	1.3
106.12294	0.5
106.57277	0.6
130.32497	0.6
160.31160	0.7
191.05626	0.9
202.23459	0.7
205.05109	0.8
306.54315	0.7
345.72488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1933
Annotation	Jadomycin B
Peak:m/z	Relative Intensity
61.98823	2.1
65.06071	0.9
66.09152	0.9
67.83226	0.9
96.96039	1.1
110.86258	0.9
125.87336	1.1
127.87013	2.0
198.88422	1.9
245.14969	1.0
328.06158	2.3
330.07730	2.1
332.09149	1.4
342.07809	1.4
343.08371	1.4
344.09201	2.0
356.09363	17.1
367.80780	1.0
384.12097	1.6
388.11945	4.9
398.13913	1.1
412.15533	19.4
427.17767	1.5
430.16879	2.3
438.13580	3.6
439.14328	2.1
442.16650	3.7
446.16028	5.1
456.14465	9.6
460.17648	1.4
470.16064	1.8
471.16901	9.2
472.17776	3.9
474.15451	21.5
486.19403	6.9
488.17245	7.8
489.18008	8.8
504.20349	72.1
542.32031	1.1
548.19324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25943	0.6
59.01382	4.1
61.98832	100.0
64.05663	0.8
71.01382	1.0
71.28542	0.6
88.49737	0.8
90.89211	0.7
98.38203	0.8
106.33480	0.8
119.31624	0.8
133.82999	0.9
240.16000	1.2
286.10818	0.9
378.85303	0.9
390.21014	1.2
525.99158	1.0
548.28674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86001	0.6
53.94293	0.7
56.31747	0.6
58.76547	0.6
60.99311	0.7
72.99311	1.2
78.95922	0.7
90.16602	0.6
98.11977	0.7
99.00870	3.2
125.06075	7.2
157.40417	0.7
169.05080	5.1
216.05148	100.0
236.26169	0.9
548.14685	0.8
548.77283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19048	1.9
53.81919	1.8
59.01385	2.5
61.98832	100.0
71.20097	2.0
83.69545	2.1
90.30744	1.9
122.95226	2.0
194.33514	2.1
250.18997	3.1
458.04578	2.5
484.45105	2.8
497.19775	2.7
548.31726	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84542	0.4
61.98831	100.0
78.41833	0.4
88.11064	0.4
105.67942	0.5
160.08560	0.5
195.20235	0.5
208.96577	0.5
243.43756	0.5
249.18478	0.5
250.19052	2.3
251.19308	1.8
252.19443	0.6
263.18048	0.5
290.60999	0.6
358.97348	0.6
442.65512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
62.43885	0.3
81.10574	0.3
97.06601	1.3
125.09712	28.3
128.06239	0.3
131.04207	0.3
142.12383	1.5
148.07050	0.3
160.36186	0.3
168.10292	0.5
169.08723	1.4
173.95036	0.3
186.11357	100.0
233.28401	0.4
312.99808	0.4
394.15094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98830	100.0
63.45942	0.5
68.03070	0.5
79.40171	0.5
89.13577	0.5
121.15829	0.6
152.58163	0.5
201.72028	0.6
214.17841	0.6
307.07388	0.6
326.94702	0.6
373.43777	0.6
392.50580	0.6
451.30487	0.6
467.90387	0.6
469.29099	0.7
483.04071	0.6
531.50659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
61.98829	0.6
77.03970	0.5
78.95920	1.0
96.95990	0.5
108.81271	0.4
120.76196	0.4
121.02952	100.0
144.47519	0.5
152.99612	3.1
165.01936	26.5
181.06606	3.9
197.06128	2.9
207.04538	0.7
225.05573	2.4
261.57434	0.6
313.07166	0.9
505.11304	0.5
549.10486	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.5
67.65492	1.2
71.01369	6.3
71.62270	1.4
72.99297	2.3
75.00862	1.4
78.02187	1.4
87.78651	1.2
89.02428	6.2
93.03408	1.9
101.02423	2.4
113.02436	31.8
119.05016	5.2
134.03714	6.8
135.04489	8.4
136.01659	2.3
149.06126	1.9
150.03218	6.9
151.03996	8.5
160.01657	2.2
161.02408	1.8
163.03970	12.9
165.05627	2.7
166.02811	2.4
175.04010	10.4
176.01114	14.2
176.04778	5.5
177.01859	1.4
178.02742	35.0
181.05078	34.3
190.02730	9.8
191.03548	30.4
191.05421	2.5
191.07146	13.3
193.05070	51.6
195.02892	1.4
195.06599	6.5
205.05060	15.7
207.06766	2.5
209.04575	2.3
235.06081	15.0
263.79568	1.6
265.07098	2.1
295.08197	7.5
343.10318	2.9
349.20416	1.6
353.09064	2.2
355.10208	2.6
357.09787	2.2
387.14603	14.3
435.07944	1.8
467.41595	1.5
471.33966	1.4
549.16205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91534	0.6
59.01389	5.7
63.49623	0.7
70.18483	0.8
71.01369	1.3
72.99306	97.6
73.02932	1.0
80.76190	0.7
89.02443	1.6
99.08131	1.9
101.02412	1.1
102.97785	0.7
103.95181	0.7
109.02932	1.5
113.02450	1.0
123.03633	1.7
123.04516	36.3
126.79559	0.8
127.56488	0.8
134.03748	1.5
135.04530	49.2
140.75882	0.8
145.08719	12.4
151.03964	1.7
169.81366	0.7
179.03506	77.4
193.05098	1.8
197.04576	100.0
205.04961	1.2
211.06093	3.1
268.71152	0.8
273.00388	1.4
345.30954	0.8
549.16284	87.0
549.29407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90622	0.7
58.45951	0.7
59.01381	1.0
64.32769	0.9
65.95072	0.7
71.01358	1.0
72.99305	6.0
76.80211	0.7
89.02458	1.1
92.22494	0.8
93.03437	4.2
95.07637	0.9
96.96005	1.7
113.02442	0.8
119.04979	6.1
135.04504	9.3
150.03195	6.2
153.71353	1.0
163.04015	17.4
164.04770	4.4
165.05516	1.6
176.01126	24.0
181.05063	38.9
190.02740	11.6
191.01755	1.7
191.03508	46.3
194.02234	3.4
195.02969	0.9
195.06615	7.9
205.05032	18.4
209.04550	6.1
223.06055	3.5
257.81049	0.8
289.29587	0.9
343.10489	3.7
353.08865	4.0
367.10214	1.6
549.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79227	0.9
59.01383	13.1
71.01382	5.7
73.02907	3.2
75.27617	0.9
83.01376	1.1
84.13804	1.0
89.02441	6.4
93.03468	3.9
99.00863	1.8
107.58081	1.0
111.04510	1.4
117.01931	100.0
127.65108	1.1
133.01422	2.5
133.42259	1.0
142.05151	1.2
155.03552	1.9
173.04515	13.6
174.75348	1.0
188.05655	4.4
189.04010	5.2
189.05753	1.0
191.05595	9.4
197.04512	1.4
207.05113	95.8
392.73999	1.2
574.48669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18487	0.6
59.01379	5.2
60.82398	0.7
65.96186	0.6
68.36769	0.7
69.26604	0.7
71.01383	3.7
73.02940	16.6
73.07278	0.7
74.15551	0.8
78.95930	0.8
79.69492	0.7
80.17858	0.7
81.03462	0.8
83.05019	4.5
85.02958	4.5
87.68053	0.7
89.02442	3.8
93.03455	42.6
99.00873	7.8
99.04522	6.0
101.02441	2.9
111.04518	28.6
113.02441	1.6
117.01917	3.7
119.03457	1.0
123.63008	0.8
129.01939	3.1
137.02437	19.1
137.69530	0.9
143.03470	4.3
143.49858	0.7
145.02940	1.7
155.03506	12.9
161.02487	1.0
162.03256	3.1
173.04547	100.0
177.05533	1.3
179.05643	3.7
191.05609	3.3
193.45370	0.8
195.06662	0.9
207.05133	2.9
258.20587	1.0
357.12015	4.0
375.13037	8.8
448.87833	0.8
549.18646	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84978	0.4
55.45158	0.4
55.93455	0.4
61.49577	0.4
62.07063	0.5
62.78830	0.4
63.80695	0.4
66.94445	0.4
67.33889	0.4
108.02138	0.6
109.02946	48.9
112.21869	0.5
123.40829	0.5
138.64224	0.5
153.01933	100.0
165.18484	0.5
191.05405	0.5
195.49474	0.5
262.54074	0.5
336.52960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03550	1.0
59.01385	11.1
67.01879	1.9
71.01369	8.6
73.02938	6.4
85.02940	1.6
86.70837	1.1
89.02442	11.0
91.73038	1.0
96.92702	1.2
99.00873	5.7
99.04473	2.9
101.02425	6.9
101.10413	1.1
107.08643	2.0
109.92636	1.0
113.02408	4.1
116.82707	1.3
119.03463	2.1
125.09734	1.1
126.85664	1.1
149.02399	4.0
164.04785	24.7
175.00389	1.9
179.07072	1.6
181.07130	4.2
187.02463	4.8
187.09760	11.1
190.02730	37.5
191.03249	1.2
205.05072	61.5
205.07042	2.1
206.05844	5.0
208.03780	2.4
213.52551	1.1
221.08218	6.8
223.06117	36.4
237.07623	2.3
265.07153	15.7
289.46017	1.4
325.09088	1.5
328.01309	1.2
421.56873	1.2
549.18280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84978	0.4
55.45158	0.4
55.93455	0.4
61.49577	0.4
62.07063	0.5
62.78830	0.4
63.80695	0.4
66.94445	0.4
67.33889	0.4
108.02138	0.6
109.02946	48.9
112.21869	0.5
123.40829	0.5
138.64224	0.5
153.01933	100.0
165.18484	0.5
191.05405	0.5
195.49474	0.5
262.54074	0.5
336.52960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64981	1.8
57.08786	1.6
59.01381	100.0
60.99308	2.2
61.98826	9.3
66.86658	2.5
66.90956	2.1
71.01382	47.6
72.99267	3.5
73.02930	3.0
75.00889	2.7
85.02950	13.4
86.46800	2.0
87.00830	3.3
88.98814	13.0
89.02444	79.3
89.02961	4.5
95.01391	3.9
101.02437	33.9
113.02448	27.0
115.40266	2.3
117.07220	2.2
119.03473	26.2
137.02414	2.6
137.69019	2.2
138.03232	8.5
143.03497	3.5
153.05641	8.9
160.05356	2.8
161.04626	7.4
174.03088	2.4
179.05585	27.5
182.05869	68.6
188.04800	4.2
197.08195	74.4
203.07213	8.9
225.67760	2.5
233.37321	2.2
309.07745	4.3
321.07599	2.6
324.09860	3.6
333.09955	3.1
339.12430	3.6
369.13464	34.9
463.25400	4.3
481.30777	2.8
505.26688	29.6
519.19336	2.5
531.18665	24.3
549.20782	4.4
549.29144	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.199
Annotation	Hydrachoside A
Peak:m/z	Relative Intensity
53.52979	1.6
59.01384	100.0
61.98821	3.2
62.19305	2.1
64.25340	1.8
71.01379	49.6
72.99316	18.9
73.02929	2.9
77.70812	1.8
85.02944	13.4
89.02438	83.2
89.61917	2.2
95.01402	2.3
101.02440	25.6
113.02430	24.2
115.04006	3.0
117.19626	2.1
119.03495	19.7
122.03735	3.8
123.04545	2.9
125.09693	4.4
135.04532	9.4
138.03180	4.6
139.16858	2.7
151.03990	15.0
153.05528	9.3
161.04549	9.3
166.02774	5.0
179.03557	14.4
179.05565	27.6
181.05095	23.5
187.04001	3.4
187.09644	3.3
188.04814	11.3
197.04568	12.6
203.07141	14.3
258.91257	2.3
309.07706	4.8
310.84241	2.4
324.10086	5.2
339.12393	5.4
345.13495	64.5
349.27487	2.5
351.21518	2.5
357.09811	5.2
369.13315	28.9
387.14526	30.3
505.26587	8.7
506.43219	2.5
519.18396	3.9
531.18573	17.7
549.15497	26.3
549.29175	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Eucommin A
Peak:m/z	Relative Intensity
50.77584	0.8
53.45044	0.9
53.93913	1.0
55.01857	1.0
55.96042	0.9
59.01383	5.7
63.62032	0.8
71.01379	6.5
72.99276	1.0
73.02930	1.4
75.00869	2.1
85.02953	4.9
89.02459	4.5
92.92117	1.0
96.96001	9.5
101.02411	4.2
112.29634	0.9
113.02456	11.6
114.02755	1.4
115.03992	1.8
119.03526	1.1
122.03709	1.8
123.04422	1.4
135.04532	1.5
136.01678	13.9
137.02454	4.1
139.01561	1.1
151.00435	1.7
151.04008	47.9
159.04257	1.2
161.04623	1.4
163.04054	1.3
166.02713	20.9
173.04565	1.4
175.09773	1.7
181.05078	58.5
185.06036	8.8
191.05554	1.3
229.05045	12.9
253.02161	1.0
271.02612	1.2
274.74597	1.0
297.11438	1.5
300.02786	7.7
301.03555	1.6
315.41309	1.1
350.39261	1.2
357.09833	13.3
372.12344	9.6
387.14548	100.0
409.77261	1.2
435.09824	1.6
486.77985	1.1
489.17923	6.0
505.10080	4.5
507.18979	3.9
549.12872	7.5
549.20679	9.0
549.28284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10040	1.4
58.84536	1.4
59.01381	54.7
61.98829	25.4
71.01377	25.4
85.02945	6.5
87.00854	2.3
89.02436	46.0
95.01403	1.5
96.96009	2.8
101.02447	19.4
113.02435	9.5
119.03497	16.7
124.89604	1.4
134.03734	3.3
136.01645	20.4
137.02362	1.7
138.03224	6.1
149.93207	1.4
150.03152	1.4
151.03993	68.0
153.05571	6.3
160.05287	3.7
161.02498	1.5
161.04517	3.2
166.02734	19.7
170.86829	1.6
175.03993	5.8
178.02753	7.4
179.05646	15.6
181.05086	43.0
188.04814	8.2
191.05585	2.3
193.05051	13.7
203.07172	10.8
216.13499	1.7
235.06038	1.9
324.09988	8.0
339.12433	7.4
348.91464	1.6
357.09766	20.2
369.13480	22.8
372.12326	14.6
387.14523	100.0
513.27429	2.6
531.18842	9.8
549.16302	17.9
549.25684	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Eucommin A
Peak:m/z	Relative Intensity
52.61247	0.5
59.01377	1.2
63.39231	0.4
69.60684	0.5
71.01367	2.5
82.01556	0.6
85.02950	1.0
93.03475	0.7
101.02441	0.9
113.02448	0.8
122.03710	1.1
136.01654	15.3
137.02446	1.3
143.12216	0.7
151.00378	1.2
151.04004	55.1
152.04797	2.3
161.04607	0.9
163.04019	2.4
166.02704	24.1
166.04120	1.0
181.05075	60.9
190.19604	0.6
193.05061	0.9
205.05115	0.7
250.65802	0.6
270.52075	0.6
275.52719	0.7
351.12115	0.6
357.09854	14.1
372.12225	11.6
387.14542	100.0
549.16406	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90604	1.6
74.02480	3.9
77.74719	1.6
86.02464	12.6
100.04040	2.7
100.99657	1.6
116.05052	13.5
119.05032	14.1
124.25149	1.7
126.01972	3.1
141.44067	1.7
142.06586	4.1
143.13074	1.4
155.08266	19.9
159.09276	2.5
169.09842	3.9
187.10912	2.6
195.11328	2.1
203.08282	22.8
203.10753	6.6
214.12384	7.8
258.11374	7.9
285.18738	2.3
343.22650	6.6
407.75729	1.7
531.16602	3.3
549.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94342	0.4
59.01379	1.2
61.98835	0.9
71.01364	4.0
73.02951	0.7
78.95911	0.5
78.98610	3.2
79.95741	6.2
80.79630	0.5
80.96513	47.8
81.03437	0.6
85.02959	1.2
87.00880	2.3
94.49107	0.5
94.98089	9.0
97.02972	0.8
99.00908	0.7
101.02476	1.3
104.69435	0.6
106.98122	2.7
113.05756	0.6
122.97614	2.9
125.02432	4.1
134.97594	4.1
136.99150	4.0
148.99113	7.7
152.98637	6.7
152.99628	0.5
164.98607	16.0
188.98727	2.0
206.99649	4.4
225.00757	13.6
225.02866	0.7
249.18730	2.1
261.18396	0.6
299.04440	8.8
356.09290	0.8
357.09845	1.0
413.16275	3.1
472.17517	1.0
475.16391	2.8
487.20224	0.9
489.17877	1.1
490.18622	0.9
505.20621	11.1
549.24213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05355	0.6
59.01371	1.1
61.98847	0.7
68.32849	0.6
71.01384	4.7
72.56546	0.6
78.95920	0.9
78.98585	4.6
79.95727	5.0
80.96513	45.7
80.96996	1.5
81.03437	0.8
85.02933	1.2
87.00858	1.2
94.98088	11.3
96.96043	0.7
97.02939	1.0
101.02434	3.0
106.98083	4.0
113.62724	0.7
122.97567	2.8
125.02428	4.3
127.04089	0.7
134.97577	4.3
136.99123	2.9
148.99129	6.1
152.98602	6.7
152.99669	0.9
153.83273	0.7
164.98630	19.5
188.98531	0.8
196.89557	1.3
203.64392	0.9
206.99721	3.8
225.00768	22.1
247.26431	0.7
249.18793	1.4
261.63223	0.7
299.04480	5.7
505.20694	2.8
539.85956	0.9
549.23865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
59.05434	0.5
61.47063	0.5
62.46686	0.4
63.93423	0.4
67.53026	0.5
69.74717	0.5
79.95726	0.6
80.97623	0.4
85.03363	0.5
87.91950	0.4
89.77516	0.4
92.22491	0.8
93.57816	0.5
96.96006	54.7
101.02412	0.5
107.06499	0.7
118.99011	0.8
135.04520	0.6
148.96181	0.6
240.49619	0.6
242.27734	0.6
243.91969	0.8
245.15385	2.3
342.45416	0.6
343.22760	2.5
345.28586	0.6
363.16382	2.3
407.29596	2.7
425.30350	0.7
547.94269	0.6
549.25372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	63.7
61.64033	2.7
66.14398	2.0
67.82312	1.9
71.01379	47.5
72.45023	2.5
73.02944	11.4
81.44146	2.3
83.77395	2.5
85.02953	3.6
87.12186	2.5
89.01881	3.4
89.02438	100.0
100.15266	2.3
101.02448	40.7
103.05455	2.2
113.02425	5.4
119.03512	3.6
121.51900	2.4
131.03484	29.1
149.04556	63.9
165.05585	3.5
191.05646	23.9
265.48193	2.2
281.09030	2.3
283.91284	2.2
311.09830	14.1
311.61542	2.3
365.59641	2.2
396.07397	2.6
437.85751	2.6
489.23715	48.5
500.47998	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04182	1.5
53.49135	1.9
54.56930	1.6
56.51378	1.8
71.01370	2.4
85.02957	2.7
92.04507	2.0
113.02459	2.7
168.91170	2.3
188.08432	5.0
190.09984	9.1
203.10771	49.0
205.87553	2.1
216.11549	5.0
219.02632	1.9
224.34647	1.8
243.13751	2.6
257.15546	2.3
259.17178	4.1
274.15799	5.1
313.21735	3.9
325.21851	4.7
328.20621	4.8
342.22098	39.7
343.18564	3.6
343.22784	100.0
505.27905	4.9
506.14920	2.6
525.37567	2.4
549.27032	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.8
65.04490	1.1
71.01373	5.8
73.27293	1.2
85.02925	1.3
89.02443	6.3
101.02446	2.4
114.50484	1.5
188.08440	1.3
193.09909	1.2
193.11841	1.4
203.10785	84.0
204.11482	2.2
216.11475	2.6
222.18073	1.4
232.10973	1.8
243.13905	16.0
263.27777	1.5
267.17468	1.7
285.18646	22.1
288.35074	1.5
325.21701	17.0
342.21973	33.7
343.22818	100.0
531.17224	2.2
549.27191	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2844
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
52.48728	8.1
55.83165	9.0
68.89017	9.8
71.42781	8.6
78.95919	11.0
87.02505	10.4
104.63998	10.3
125.98721	10.1
220.40665	10.3
243.75185	11.4
249.64005	10.8
489.23059	20.6
549.28131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55192	1.0
51.75075	1.2
53.87228	1.0
54.69610	1.4
54.85117	1.3
59.01383	100.0
59.38148	1.0
60.21510	1.1
71.01395	3.0
71.76306	1.2
73.02925	1.7
90.34673	1.3
99.00861	1.6
99.26754	1.3
101.02423	2.1
103.36765	1.1
107.98377	1.3
117.12169	1.3
201.11296	2.7
209.01344	1.5
300.75806	1.3
313.23874	5.5
345.24429	2.8
409.97632	1.4
450.35416	1.8
489.24728	1.7
507.29648	1.6
518.99359	1.7
549.31250	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.70533	1.1
92.23066	2.0
102.58755	1.5
186.29503	1.5
269.08347	1.4
277.21713	12.0
365.25800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.8
71.01394	0.6
77.66537	0.4
87.00886	0.4
89.02460	0.7
92.23122	0.4
97.87327	0.4
98.39175	0.4
101.02441	2.2
113.02422	0.4
119.03462	0.5
141.37099	0.4
161.04543	0.6
197.09599	0.5
216.47923	0.4
235.08205	0.9
253.09317	7.4
253.21751	100.0
288.22070	0.4
338.15665	0.5
451.32422	0.4
489.30731	6.9
539.76300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65120	1.0
57.13668	1.0
59.01377	1.2
59.61346	0.9
61.98837	1.0
70.87903	1.2
84.39386	1.2
133.02908	8.5
134.03741	5.0
148.05246	1.3
160.01620	7.4
161.02451	13.6
173.39900	1.3
175.04004	62.9
177.01973	2.2
177.19540	1.2
178.02744	1.7
193.05058	5.7
199.40987	1.4
299.25842	10.2
359.22452	1.6
373.23773	2.5
375.28824	2.2
387.25436	1.5
389.30862	1.4
443.27982	12.1
457.29791	9.8
461.29120	7.9
475.30484	18.4
534.32117	2.7
549.34424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82586	3.1
66.66039	3.0
73.80805	2.8
101.05602	2.9
107.53960	2.8
118.90331	3.0
158.00571	3.4
183.13899	5.1
212.55038	3.8
255.23312	100.0
275.20242	5.8
293.21359	36.3
311.22510	4.1
355.15897	3.4
435.32477	3.5
505.00815	3.6
549.45276	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.3
59.51270	0.9
59.52026	1.0
71.01367	9.2
72.99303	1.5
76.60106	1.0
85.02956	1.7
86.61942	1.1
89.02416	4.2
101.02424	6.7
113.02437	5.2
116.19292	1.0
130.06642	2.7
133.67567	1.2
139.47874	1.2
142.06654	1.6
143.66324	1.1
144.04547	4.9
144.08199	12.3
146.06123	43.3
156.08252	1.8
158.06133	2.1
160.07657	8.5
161.04622	1.8
170.06085	4.9
174.09209	6.0
184.07671	1.3
186.05630	8.4
188.07178	32.2
190.05072	1.4
197.04555	1.6
206.08258	4.4
232.06189	5.5
259.24356	1.1
260.92990	1.2
301.44745	1.1
352.10428	100.0
420.89490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3158
Annotation	Leueantine C
Peak:m/z	Relative Intensity
52.79073	0.4
57.70266	0.5
61.64999	0.4
78.95912	6.3
132.43729	0.5
140.01195	3.3
152.99596	6.4
156.57379	0.5
196.03790	4.1
208.03871	2.4
210.18863	0.5
255.23318	100.0
294.07431	2.7
395.70926	0.6
460.63947	0.5
550.31580	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0991
Annotation	Isocryptomerin
Peak:m/z	Relative Intensity
78.95956	0.5
83.12220	0.5
121.11948	0.5
177.87086	0.5
181.06720	2.2
183.04549	4.7
185.06219	0.8
197.06133	0.8
209.06085	5.4
211.04066	1.0
225.05629	7.5
237.05597	0.9
253.05106	13.4
269.04593	100.0
269.07874	3.8
281.04596	39.3
281.06973	0.7
493.53281	0.6
551.09735	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0988
Annotation	Isocryptomerin
Peak:m/z	Relative Intensity
52.47996	1.0
54.85439	1.2
55.67448	1.1
62.96405	1.5
78.95907	9.3
107.01355	2.7
121.02954	3.0
151.00369	19.9
152.99663	1.7
153.66843	1.3
165.01883	14.6
190.66394	1.5
239.03552	5.8
253.05199	2.2
269.04520	6.4
273.09668	1.6
283.06061	2.3
284.08496	2.7
298.10123	1.6
311.07132	2.9
325.08499	2.3
327.06631	1.8
339.06744	2.6
355.06171	7.5
356.07153	1.7
369.07697	2.2
384.06485	9.5
385.07236	100.0
393.85681	1.4
398.08102	10.1
399.08777	58.7
409.10788	2.2
479.11349	5.5
507.10687	8.1
523.10339	7.4
524.13464	1.4
551.09943	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0993
Annotation	Isocryptomerin
Peak:m/z	Relative Intensity
56.72908	0.9
61.03230	0.8
63.51346	0.8
69.28424	0.8
78.95905	6.0
93.87317	0.8
120.88144	1.0
140.23969	1.1
143.48666	1.1
152.99561	1.4
159.06564	1.2
181.06635	1.6
192.17671	1.1
209.06125	4.0
210.03165	1.2
218.56149	1.1
224.04724	1.1
225.05486	6.9
234.68355	1.0
237.05583	1.2
253.05067	22.1
255.23354	1.8
269.04590	100.0
281.04599	52.0
281.07513	1.1
283.16614	1.1
315.97180	1.0
551.09906	79.5
551.29022	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21106	0.4
57.03455	6.0
63.57260	0.4
65.29881	0.5
66.05852	0.5
67.01894	0.9
69.79062	0.5
71.01395	0.8
72.69324	0.5
72.99303	3.6
83.48823	0.5
84.43444	0.5
85.02946	7.6
93.03416	0.6
99.00899	4.6
120.61526	0.6
123.04534	0.9
124.90641	0.6
129.00964	1.1
129.01941	31.0
135.04504	0.7
145.36177	0.6
147.03030	1.0
173.04689	0.7
179.03476	4.9
191.02020	20.1
191.05627	100.0
197.04567	12.4
197.06236	1.0
198.67278	0.5
232.80161	0.6
269.63068	0.6
359.09894	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14380	0.6
55.41077	0.7
58.73412	0.6
79.41233	0.7
80.96505	5.4
87.75074	0.6
88.49761	0.7
93.50576	0.7
106.61735	0.8
164.98599	3.4
165.01894	1.7
171.04520	1.1
171.46646	0.7
197.06046	1.6
209.06047	4.8
213.05768	0.8
221.13159	0.7
225.05563	8.7
227.07207	2.9
239.02304	1.6
241.05063	3.0
241.21753	1.8
253.05064	14.4
254.05902	1.5
269.04565	100.0
269.08124	26.7
281.04581	30.6
350.69714	0.8
410.28491	0.8
551.13562	74.3
551.28644	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69720	0.9
66.58298	0.9
76.75259	1.0
78.95878	1.7
80.75896	1.0
90.52351	0.9
149.65929	1.1
165.01935	2.4
177.01872	2.5
181.92657	1.1
209.05948	5.4
225.05661	8.4
226.06267	1.4
227.06950	1.2
237.05289	1.4
241.04866	1.4
253.05084	19.9
254.05864	3.6
255.23187	1.4
260.12253	1.3
269.04434	100.0
269.08038	98.4
269.10928	2.9
269.14267	1.4
281.04407	40.1
281.08011	26.6
332.98010	1.2
466.11520	1.2
551.13251	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33627	0.5
59.38066	0.5
63.49635	0.5
63.54959	0.5
69.64503	0.5
70.87871	0.5
78.95908	2.2
96.95982	2.1
115.80254	0.6
116.67944	0.5
151.00348	0.9
152.99554	0.9
162.53198	0.6
163.00522	0.8
183.04539	6.5
193.06682	0.6
195.08136	5.9
196.13702	0.6
211.07578	1.0
213.05492	1.2
223.07660	8.3
225.05672	2.8
227.07137	0.8
239.07076	5.7
253.05022	1.4
255.06653	51.5
255.23555	0.6
267.06616	9.9
269.04584	1.2
274.30667	0.6
281.04453	0.6
282.47687	0.7
283.06140	100.0
295.06146	36.7
415.98557	0.6
443.03610	0.6
551.13599	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94893	0.5
56.09680	0.4
59.01374	1.2
60.60665	0.5
78.95901	4.1
94.38418	0.5
106.93513	0.5
136.89339	0.7
152.99582	5.5
159.10265	10.1
165.01834	0.8
171.04610	0.6
177.02023	0.8
209.06104	2.8
213.05588	0.6
225.05608	6.4
225.09026	1.0
227.07129	2.2
228.58316	0.6
237.05592	1.2
241.05008	2.2
253.05113	12.6
255.20828	0.9
255.23326	16.9
256.23645	2.3
269.04568	100.0
269.08157	42.9
269.24850	2.3
281.04575	34.4
281.07883	0.8
316.70932	0.6
367.84058	0.6
414.96387	0.6
487.50000	0.7
491.32629	0.7
492.22644	0.7
494.32483	0.8
551.13556	75.8
551.34937	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27253	0.5
59.01385	5.2
65.90408	0.4
71.01383	1.2
78.95898	3.7
79.01913	0.6
89.02428	2.2
92.23152	0.6
101.02417	2.4
113.02402	0.8
121.02936	0.5
127.30058	0.5
152.99599	5.4
159.10272	4.4
161.04494	0.7
163.00389	7.2
165.01979	1.2
169.60973	0.5
177.02019	2.1
178.02689	0.8
183.04497	3.3
183.08269	0.7
195.08157	1.0
210.72467	0.6
211.07620	0.9
213.05600	1.2
223.07678	4.4
225.05688	0.8
225.09169	1.0
227.07166	3.4
239.07190	3.7
253.09294	8.0
255.06660	29.8
255.23322	69.9
267.06647	20.1
269.08212	100.0
281.08255	4.1
283.06143	67.3
295.06149	20.6
295.09186	0.8
391.22885	1.1
491.32468	6.1
551.14478	33.1
551.33466	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78760	0.3
78.95905	34.0
84.51717	0.4
84.87938	0.3
89.02398	0.3
90.01784	0.3
96.96957	100.0
173.04518	0.4
173.98306	0.3
191.05647	4.9
234.05641	0.3
256.90201	0.3
257.18768	0.3
359.09894	0.4
372.78082	0.3
374.48386	0.4
436.93024	0.3
551.13928	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77890	0.3
60.56981	0.3
61.21910	0.3
66.23249	0.3
72.99300	3.0
85.02941	2.4
87.00894	0.6
123.04530	0.4
127.03989	1.5
135.04527	0.5
135.69719	0.4
138.76471	0.3
142.11618	0.3
154.17038	0.3
179.03502	3.5
191.05634	100.0
197.04568	10.3
200.13425	0.4
209.06732	1.5
359.09897	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06032	0.4
57.53993	0.3
59.01369	0.5
71.01410	0.4
72.99304	3.2
73.02959	0.4
73.75475	0.4
85.02935	2.5
87.00912	0.6
87.45850	0.4
93.03429	0.6
94.03007	0.4
101.02429	0.8
113.69487	0.4
117.02024	0.5
127.03952	0.9
131.04613	2.7
133.01457	0.5
135.04509	0.5
143.54390	0.4
155.03429	0.4
173.04521	1.5
179.03505	3.2
190.18175	0.4
191.05621	100.0
197.04558	11.1
209.06796	3.4
216.87457	0.4
293.09869	0.7
359.09836	14.8
366.83026	0.5
368.56567	0.4
385.74222	0.4
403.78876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37962	0.3
58.18794	0.3
59.01367	0.4
63.81110	0.2
72.99305	3.1
85.02933	2.2
85.62450	0.3
87.00861	0.4
93.03429	0.4
107.89277	0.3
127.03973	1.3
135.04486	0.5
147.80658	0.3
173.04619	0.4
179.03499	2.9
186.16411	0.3
191.05623	100.0
197.04559	11.5
238.16832	0.3
269.92316	0.4
288.81924	0.4
359.05322	0.5
359.09882	14.3
391.67810	0.4
462.22247	0.4
483.74112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83003	0.3
59.25373	0.2
59.99240	0.2
69.03450	0.3
75.73656	0.2
77.95219	0.2
78.95903	3.7
85.02952	1.2
87.00889	1.2
87.68976	0.3
96.96017	0.4
96.96960	3.5
101.02435	0.3
110.98515	2.0
113.02448	100.0
121.85702	0.3
143.04710	0.5
172.58333	0.2
176.87273	0.3
177.03426	0.6
191.05591	0.6
275.07602	1.1
348.18185	0.3
389.10901	2.0
551.14154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
59.01388	12.1
63.54481	0.9
65.96178	1.1
71.01375	17.3
71.05003	1.5
71.33459	0.9
73.02918	4.8
75.85927	1.1
80.12012	1.0
82.10587	1.0
83.01361	1.5
85.02948	18.8
86.67816	1.1
87.00858	5.2
89.02435	5.1
93.03416	1.2
97.02950	24.3
99.00883	1.3
99.92583	2.2
100.93335	1.8
101.02455	11.5
103.00372	1.9
106.99481	1.2
111.00852	1.1
113.02462	10.3
113.06121	10.0
115.04002	100.0
115.92039	2.3
116.92847	5.6
119.03472	5.2
120.86457	1.2
131.03461	4.9
157.05034	4.5
161.02437	1.4
161.04504	6.1
193.05019	1.4
218.97511	5.4
221.06645	7.8
256.97708	1.5
261.95462	1.4
262.96561	24.9
288.98120	9.8
304.97507	2.8
314.99731	1.7
373.00131	1.4
391.01236	4.2
461.13074	73.6
471.03986	33.6
489.04861	14.4
515.02490	1.4
528.02234	1.3
533.14856	2.2
551.06769	2.0
551.16150	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05996	0.3
57.70350	0.3
60.99885	0.3
62.90383	0.5
65.12602	0.3
66.27934	0.4
71.75697	0.3
72.99297	2.3
82.25156	0.4
85.02932	4.5
85.78590	0.3
93.03454	0.6
93.17645	0.3
97.97249	0.4
111.04497	0.4
120.03197	0.4
123.04541	0.6
127.04066	1.3
129.01904	0.4
169.15906	0.4
179.03564	3.6
191.01985	2.3
191.05629	100.0
197.04591	10.2
311.55743	0.4
359.09891	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79111	0.5
53.43149	0.5
53.60706	0.4
59.98011	0.5
65.55046	0.6
69.13564	0.6
78.41826	0.6
78.95904	3.9
80.48315	0.5
81.63617	0.5
84.01698	0.5
95.05008	0.9
97.02948	2.5
110.09905	0.6
113.73070	0.5
115.50641	0.6
127.20027	0.5
139.07642	2.3
144.41206	0.5
152.99602	5.4
179.69910	0.7
200.54774	0.7
203.14276	0.8
221.15511	3.6
247.13358	0.8
265.14487	1.1
271.52704	0.6
283.11203	4.5
301.12146	100.0
342.02426	0.7
346.35324	0.6
353.51050	0.6
543.67688	0.8
551.16980	39.4
551.31055	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
139.03943	2.6
141.80840	0.5
165.01881	4.4
177.01863	3.0
225.05528	1.7
225.09152	2.4
225.68509	0.6
226.06401	4.8
227.07133	2.8
238.06256	1.0
239.07181	0.7
253.04965	2.1
254.05936	5.9
258.02066	0.6
259.47449	0.6
269.04758	5.3
269.08197	100.0
281.04608	2.1
281.08182	21.1
315.93677	0.6
375.36533	0.6
401.53854	0.7
551.17419	36.8
557.39655	0.6
577.04999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17378	0.4
63.86749	0.4
64.87428	0.4
65.70660	0.4
69.23712	0.4
70.55445	0.5
74.85017	0.4
99.71230	0.4
108.59541	0.5
121.02943	0.8
165.01881	2.2
177.01935	5.4
183.08144	0.5
225.09482	0.5
227.07172	3.1
239.07120	2.0
269.08212	100.0
281.08194	12.4
551.17310	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49777	0.3
59.01373	3.5
71.01321	0.4
78.95865	1.2
89.02393	1.1
97.02879	1.0
101.02387	1.1
113.02374	0.4
119.03422	0.4
121.02872	1.1
147.01512	0.3
152.99573	2.0
159.10229	1.3
161.04527	0.5
163.00333	0.4
165.01892	1.8
177.01949	1.9
183.08112	0.4
191.03552	0.3
191.83820	0.3
216.18845	0.3
223.07649	0.4
225.09174	1.2
227.07224	2.5
235.08200	1.2
239.07077	0.5
253.09282	5.4
255.06641	4.0
255.23303	45.4
267.06689	1.6
269.08200	100.0
281.05212	0.4
281.08191	3.9
283.06131	7.5
295.06235	2.0
295.09241	0.3
435.77264	0.3
491.32385	4.4
551.17426	31.5
551.33740	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27315	0.2
56.71864	0.2
59.01363	1.3
65.49632	0.2
78.95887	0.5
90.17699	0.3
97.02935	0.4
101.02444	0.4
105.80973	0.3
121.02937	0.4
137.02496	0.3
152.99567	1.3
159.10249	0.5
165.01942	2.4
168.57597	0.2
177.01944	1.8
178.02727	0.4
183.08141	0.3
191.91650	0.2
202.21832	0.3
225.09221	1.4
227.07152	2.6
239.07156	1.0
253.09270	0.9
255.23302	13.8
269.08203	100.0
281.08160	4.3
283.06058	0.4
314.24945	0.3
316.41974	0.3
354.14944	0.3
491.32599	0.5
551.17230	29.2
551.33508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63174	1.5
67.44382	1.6
70.49934	1.4
87.72577	1.4
101.02438	2.6
121.03011	2.4
134.03757	17.9
147.04477	1.9
148.78970	1.6
149.02437	3.7
149.06068	11.4
150.03233	33.9
160.01630	3.1
164.04774	3.2
165.05565	100.0
175.03986	21.0
176.04803	18.6
178.02690	13.6
180.04248	8.5
191.07156	35.0
193.05060	62.6
195.06612	29.2
206.05988	1.8
211.00732	1.8
220.03804	3.1
235.06091	37.6
250.06305	1.9
262.77237	1.8
282.08957	11.9
293.62814	1.7
295.08408	3.5
318.30109	1.9
339.08493	1.9
341.10181	18.5
355.11697	2.1
383.11346	11.0
389.12503	69.1
431.13541	38.3
461.14548	7.3
491.08749	2.6
491.15652	27.8
551.18011	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1774
Annotation	Dichotomoside A
Peak:m/z	Relative Intensity
53.60925	1.7
59.01375	3.3
59.21441	1.4
59.65833	1.6
71.01382	7.3
72.99310	2.8
74.80894	1.6
85.02939	7.2
86.80923	1.8
89.02435	1.8
95.01394	2.4
96.51322	1.8
101.02412	2.3
113.02439	20.3
120.05909	1.6
121.02958	2.8
127.04015	3.0
134.03729	40.3
148.05331	2.2
149.02428	9.7
149.06064	27.6
150.03217	39.2
151.04041	2.2
155.03487	3.1
164.04778	9.2
165.05565	98.6
165.06964	3.2
175.03989	13.3
176.04778	13.8
178.02707	34.2
179.03479	7.5
180.04265	7.2
191.07156	20.4
193.05072	100.0
195.06660	27.5
197.04526	8.7
199.02527	2.2
205.08786	2.1
207.35982	1.7
217.03471	11.4
220.03714	3.7
223.83765	1.7
235.06091	17.3
250.06377	3.6
282.08990	20.8
293.95984	2.2
333.06082	7.4
341.10306	25.3
359.11215	7.7
359.15176	4.4
374.13715	10.1
383.11447	10.8
389.12250	77.1
389.16190	9.6
430.30176	2.0
431.13586	14.9
443.12680	2.2
443.97522	2.3
461.14691	2.0
491.15710	9.5
551.17834	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03731	1.1
53.68127	1.2
58.81152	0.9
59.01367	2.1
60.42725	1.0
66.88755	1.0
71.99106	1.2
75.98733	1.2
87.35397	1.0
98.18664	1.1
101.02448	4.5
111.00911	1.4
112.67064	1.0
113.02439	2.1
121.02921	2.0
122.03764	1.2
134.03726	15.4
143.84982	1.3
148.05307	1.4
149.02409	2.3
149.06081	12.0
150.02097	2.2
150.03218	32.9
151.04034	1.5
160.01743	2.3
164.04842	4.5
164.35570	1.3
165.05553	100.0
170.36488	1.1
175.03972	14.9
176.04787	18.1
178.02655	12.5
178.84601	1.2
180.04271	5.7
191.07149	34.0
193.05064	57.9
195.06609	30.1
208.76591	1.2
220.03777	5.3
235.06078	30.2
235.08163	1.4
250.06433	4.8
265.07129	2.3
282.09042	10.4
295.08252	2.1
297.11334	1.9
306.32544	1.1
339.08780	1.6
341.10385	18.2
355.11633	2.0
383.11392	12.1
389.12418	66.6
431.13486	39.4
443.13022	1.5
461.14600	7.6
491.15646	29.3
547.01178	1.4
551.18262	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29314	0.7
51.40934	0.7
53.22216	0.7
55.01877	9.0
58.51284	0.7
59.01374	4.9
71.01369	4.2
73.02912	1.0
75.00862	1.8
77.31995	0.8
78.15215	0.9
85.02943	1.7
89.02427	3.7
96.95996	3.8
101.02404	1.9
111.93986	1.0
113.68320	0.9
119.05011	1.5
129.01968	7.9
134.03732	100.0
136.01668	5.5
136.08920	0.9
137.02423	1.6
145.28308	0.9
147.02979	10.8
147.04555	1.7
147.33904	0.9
148.05312	6.4
149.06076	93.2
150.03099	1.3
151.03999	2.3
152.04352	1.1
153.05542	3.6
164.37971	1.0
165.05560	4.2
166.02669	1.0
178.02745	1.4
181.05077	1.8
182.05432	1.7
183.05426	1.1
192.04243	8.1
193.05070	6.3
195.06577	1.3
207.06691	4.4
241.21858	1.1
242.54263	1.1
264.15414	1.0
270.47711	0.9
302.51160	1.1
311.25909	0.9
359.14749	1.0
387.14569	1.2
389.15189	4.2
403.13998	74.2
551.17822	56.0
551.26318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10328	1.4
51.49576	1.2
57.77005	1.3
59.01365	1.7
59.61255	1.3
67.03822	1.4
67.07289	1.6
78.95919	9.8
82.13062	1.4
84.53117	1.4
92.23100	2.2
99.45310	1.6
105.34283	1.5
106.51117	1.9
115.14230	1.5
121.02955	1.6
121.09408	1.7
122.03723	4.1
135.04532	2.9
141.06757	2.2
149.02444	8.4
150.03233	83.9
164.04796	3.8
165.05566	100.0
175.04004	3.0
177.05701	2.3
180.04300	10.3
190.06381	2.9
195.06644	33.4
219.06659	1.8
222.05472	3.1
260.09399	2.1
279.06573	3.3
291.06686	3.7
292.07495	3.2
294.08951	2.7
295.06351	12.1
306.09030	7.2
307.06168	30.4
307.09491	3.1
309.07785	7.0
310.08417	21.6
322.08450	12.8
325.10779	30.2
337.10892	50.2
355.11835	2.5
373.13181	3.4
473.16348	2.3
503.17099	8.7
521.18030	8.1
551.19623	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13320	1.0
58.02055	1.2
68.99801	2.5
74.73151	1.2
78.86985	1.3
106.52634	1.2
108.02133	2.7
118.36628	1.4
121.02988	1.7
122.03693	5.2
123.04485	8.7
149.02425	10.5
150.03212	47.9
150.04338	2.6
161.02464	2.1
162.03239	1.6
163.03998	2.6
164.04778	6.9
165.04243	2.0
165.05573	49.6
175.04037	10.8
176.04730	1.8
177.05559	10.9
178.02739	23.9
179.03528	1.3
180.04216	1.5
183.14238	1.5
190.06352	9.0
193.05061	19.8
195.06627	13.3
218.06044	1.5
222.05312	5.7
265.08859	2.5
293.08249	15.1
294.08994	2.7
295.06113	9.0
306.09201	2.2
307.06244	14.4
309.07803	14.6
310.08459	12.3
311.09064	2.2
312.10013	7.8
313.77402	1.4
322.08472	9.4
323.09174	2.8
324.09955	9.4
325.10828	14.6
327.12326	5.1
337.10776	20.6
339.12527	2.1
379.11768	1.5
415.11880	1.6
429.13449	6.4
443.11499	8.7
458.13611	8.4
459.14722	7.0
473.16385	15.2
485.16220	1.7
503.17221	53.8
521.18085	7.0
551.19336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26535	0.5
52.10733	0.4
55.01884	0.7
59.01381	1.1
71.01389	0.9
73.02940	17.0
75.00871	0.5
81.03450	0.7
83.05008	4.2
85.02964	4.3
87.77715	0.6
93.03448	36.6
99.00880	7.6
99.04515	6.5
101.02454	1.0
103.00336	0.7
111.04512	22.1
113.02409	0.9
114.02004	0.6
114.05603	1.3
129.01915	2.9
137.02441	16.1
143.03468	5.9
155.03513	13.2
158.04440	0.6
173.04544	100.0
191.05624	1.1
202.64748	0.6
203.03375	0.7
231.76727	0.7
275.88303	0.6
279.10684	0.8
371.99664	0.6
485.49103	0.7
551.19055	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92999	1.6
59.01380	47.8
71.01380	10.0
71.83572	2.0
73.02960	5.2
77.53309	1.9
78.60492	2.0
78.95906	3.7
83.01386	2.4
85.01855	1.9
85.02946	4.6
87.49175	2.3
89.02438	11.2
92.23176	3.3
93.31590	1.9
96.96010	5.0
101.02446	13.0
108.02180	2.9
113.02423	10.5
119.03485	4.2
122.03706	2.9
123.04517	12.1
135.04539	50.5
136.05254	4.9
137.06120	2.6
147.04482	2.1
149.06047	3.8
152.99553	4.1
164.04721	4.3
174.06818	8.0
175.07568	20.9
176.08435	2.2
177.09210	2.0
178.28505	2.1
189.09206	9.5
203.10721	3.2
210.20117	2.2
241.16028	4.7
244.14706	8.8
257.15500	9.2
258.16254	100.0
259.17038	85.9
269.15680	3.6
327.19727	10.8
339.96179	2.6
344.22604	3.2
345.20618	4.7
348.09436	2.1
371.18372	2.5
422.19516	14.3
463.23419	4.8
507.22180	63.6
533.26617	4.3
551.27551	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64704	0.4
59.01377	0.5
64.63157	0.4
69.70996	0.6
71.01366	0.8
85.02946	0.9
89.02440	0.7
92.22536	0.6
101.02480	0.7
113.02499	0.8
136.05276	2.1
161.04573	0.8
163.04132	0.7
165.01981	0.5
165.05617	2.2
175.03996	3.0
177.05548	0.8
180.04381	4.7
188.04909	0.7
189.05606	4.9
190.06372	24.9
190.08081	1.0
191.07187	5.1
193.05101	5.0
194.05861	4.0
203.07120	2.9
204.07939	2.3
205.08723	29.6
207.06628	5.4
208.07430	48.3
222.08978	15.1
223.09846	1.3
255.75023	0.6
258.80869	0.6
344.12827	5.4
359.15060	100.0
365.79602	0.5
389.11444	1.1
389.16138	24.8
521.20099	1.0
551.21283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29126	0.8
52.39109	0.8
59.01375	1.3
62.22628	0.9
71.01393	0.9
88.99930	1.0
90.07126	0.9
103.07425	1.0
121.02934	1.0
134.03705	1.6
160.01625	1.4
160.04128	1.0
162.03203	1.1
175.03958	5.3
180.04276	6.3
182.23222	1.0
189.05571	5.0
190.06363	22.8
191.07162	8.4
193.05035	7.1
194.05923	4.5
203.07159	2.2
204.07838	1.1
205.08699	26.1
207.06554	4.0
208.07396	46.4
222.09061	14.7
235.06059	1.6
312.88568	1.1
327.12131	1.9
344.12793	7.6
359.15030	100.0
389.16119	23.1
400.45532	1.1
524.80450	1.1
529.81769	1.1
533.16656	1.6
551.17072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31664	0.6
59.01386	3.6
61.28639	0.6
70.20538	0.7
71.01370	1.8
71.48898	0.7
77.40390	0.7
85.02950	0.7
87.00819	0.8
89.02457	1.4
101.02449	1.2
106.00439	0.8
111.08854	0.7
113.02444	0.9
121.02969	3.1
143.91687	0.8
161.04524	1.0
175.04019	4.0
177.84352	0.8
180.04309	3.9
188.04816	1.0
189.05620	4.2
190.06364	18.5
191.07190	4.1
193.05051	4.9
194.05937	1.7
200.15402	0.7
202.19987	0.8
203.07036	2.7
204.07986	1.0
205.05281	1.0
205.08708	29.4
207.06633	4.8
208.07430	47.9
222.09006	14.7
223.09767	1.6
285.98438	0.8
302.53381	1.0
344.12640	6.5
359.15057	100.0
389.11435	1.2
389.16165	24.9
551.21423	4.2
551.30188	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2147
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
53.91315	1.1
59.01384	100.0
71.01379	43.2
71.49136	1.1
73.02950	1.8
85.02950	6.7
87.00851	1.6
89.02441	70.9
90.68207	1.2
95.01401	1.8
101.02448	29.1
110.86200	1.3
113.02450	24.0
119.03490	34.0
131.03435	2.2
143.03485	6.6
149.04539	1.5
161.04559	6.8
165.05518	1.9
173.06000	1.7
174.55954	1.3
175.03999	2.4
179.05638	22.6
190.06474	2.4
191.07201	2.2
193.05052	1.6
195.06621	2.1
202.06372	2.4
205.05116	3.0
205.08821	1.6
211.46381	1.3
219.06700	1.6
220.07420	12.5
235.09790	7.8
238.74142	1.4
265.95441	1.2
311.09387	9.1
326.11581	7.5
341.10214	2.6
359.14993	2.3
371.15027	28.0
389.12488	5.0
551.21533	57.7
551.29944	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46702	0.7
59.01101	1.4
59.01384	31.6
66.12424	0.7
70.90631	0.7
71.01377	16.4
83.58315	0.8
85.02958	1.2
87.00840	1.1
87.75749	1.0
89.02435	30.0
96.91264	0.9
101.02436	10.3
103.28008	0.9
113.02425	9.6
119.03511	11.9
131.03482	1.0
149.02437	1.1
150.03218	5.7
156.39972	0.9
160.01637	5.2
161.04546	4.1
164.04843	5.4
165.05534	6.2
175.04007	2.2
179.05687	9.8
179.07018	1.4
190.02699	12.4
193.05104	3.8
205.05070	17.8
212.48575	1.0
223.06122	2.0
229.05180	1.1
265.26434	0.9
285.11307	10.0
310.08514	1.7
311.09351	5.8
313.10907	4.0
323.09378	1.9
324.10074	5.2
325.10880	13.4
326.07977	7.1
326.11752	3.9
330.71176	0.9
340.13135	2.0
341.10318	100.0
356.12704	20.7
371.10251	2.3
371.15030	70.7
466.19165	0.9
511.48206	1.1
533.16840	5.8
551.17487	15.9
551.31219	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55453	0.3
57.69970	0.3
57.78844	0.3
59.01381	2.2
71.01370	2.2
72.52952	0.3
72.63753	0.3
73.02936	0.7
77.78421	0.3
81.18958	0.3
85.02940	0.8
89.02478	0.4
101.02447	1.7
119.03448	0.8
121.02950	41.1
136.05266	0.6
145.08630	0.4
151.03886	0.4
161.04547	0.7
163.04019	2.2
165.01863	0.6
165.05603	0.7
175.04074	2.9
178.02689	0.6
179.03500	0.9
180.04286	7.1
188.04877	0.6
189.05569	4.7
190.06371	23.0
191.07143	5.3
193.05081	5.9
194.05869	6.0
203.07227	2.5
204.07954	1.0
205.08702	30.1
207.06639	5.6
208.07419	42.4
222.08995	11.0
223.09744	2.1
247.54335	0.5
247.57294	0.5
344.12674	5.5
359.15051	100.0
389.16122	23.4
389.21207	0.8
427.99197	0.4
538.34094	0.4
551.23157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2272
Annotation	Orthosiphol D
Peak:m/z	Relative Intensity
59.01381	16.0
59.14523	2.5
63.98303	2.8
71.01366	4.2
72.99325	4.2
73.02943	4.2
78.95898	5.3
80.65611	3.4
86.82192	2.7
87.00875	2.7
91.04510	2.7
96.95953	3.5
97.04855	2.8
101.02425	10.9
103.00386	11.5
123.01035	2.5
136.44821	3.2
150.03224	12.1
164.04764	3.2
165.05542	16.3
180.04338	5.7
195.06610	12.4
211.85355	3.4
237.76375	3.1
283.01575	3.3
309.07599	4.0
310.08487	4.6
503.17114	12.3
507.27850	4.2
551.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
64.77661	0.4
71.01374	0.8
85.02943	0.5
89.02425	0.5
90.16599	0.4
92.22419	0.6
101.02430	0.7
121.02953	100.0
163.04109	0.6
173.12854	0.5
175.03984	0.7
180.04266	1.1
189.05521	1.1
190.06349	5.3
191.07161	0.8
193.05028	1.1
194.05768	0.6
203.07228	0.6
205.08745	6.9
207.06671	0.6
208.07419	12.0
222.09009	4.3
359.15070	26.2
389.16074	6.0
516.80377	0.5
551.31335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2509
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
53.07260	0.4
59.01385	5.7
66.15389	0.5
71.01356	2.6
85.02934	1.0
89.02416	3.3
92.23112	0.7
93.03424	0.8
101.02407	3.6
110.72596	0.6
113.02429	1.3
117.03372	0.8
117.97250	0.7
119.03483	1.0
133.02956	6.1
134.03679	0.9
135.04539	4.9
137.02420	3.0
161.02438	100.0
178.14459	0.6
179.03552	5.7
192.84012	0.5
315.15076	0.6
551.24707	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12771	1.4
55.27850	1.3
59.01392	16.9
69.83301	1.7
71.01381	3.3
72.99316	8.1
73.02943	1.4
75.14948	1.3
85.02947	2.5
87.00864	3.4
89.02435	11.1
92.05061	2.9
93.03446	20.8
101.02435	9.4
102.28319	1.7
106.37946	1.5
113.02469	2.2
119.05029	2.6
120.04546	17.5
121.04881	3.7
121.06588	22.2
136.04042	3.3
147.04500	30.2
164.03568	24.3
165.03935	11.2
165.05553	100.0
172.76816	1.4
179.12985	1.4
193.05095	2.5
197.04613	1.8
208.07382	3.9
359.14987	6.6
551.27118	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03077	0.3
59.01381	8.5
71.01366	3.3
73.02943	0.5
83.01384	0.5
85.02969	0.9
89.02456	2.3
101.02445	4.0
113.02452	2.6
115.46152	0.5
133.02960	5.7
134.03745	1.0
135.04518	4.0
149.06052	0.9
161.02443	100.0
164.04694	0.9
165.05511	4.4
177.60252	0.5
179.03548	5.0
179.04926	0.6
190.12436	0.5
193.05069	2.8
195.06575	0.5
208.03749	0.9
223.06110	2.9
247.66724	0.5
291.08676	2.5
293.20978	0.7
325.16437	0.5
333.09933	0.9
389.12369	0.6
418.75803	0.5
419.13312	0.7
423.53546	0.5
430.78397	0.5
551.24591	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21154	0.4
55.37836	0.4
58.65967	0.5
59.01380	1.3
59.12789	0.5
59.80239	0.4
71.01382	4.5
73.02941	0.9
78.95904	0.6
78.98580	4.5
79.95744	3.2
80.96518	40.9
85.02972	1.7
87.00858	2.4
94.98080	11.8
95.92535	0.5
96.95985	0.6
97.02933	1.1
97.54847	0.5
99.70123	0.5
101.02438	2.9
101.57437	0.5
106.98100	1.3
118.02924	0.5
119.66147	0.6
122.97549	1.3
124.86934	0.5
125.02412	3.5
127.03928	0.7
132.74113	0.5
134.97588	4.1
136.99132	2.7
139.02324	0.5
148.99156	6.3
152.98604	9.1
164.98634	17.3
176.33640	0.6
206.99686	2.2
207.10057	0.6
215.34674	0.6
224.98582	0.9
225.00774	23.4
237.33391	0.5
246.91002	0.5
251.20160	2.8
270.28766	0.6
294.08490	0.5
299.04575	4.6
500.25897	0.6
551.25366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82220	1.1
57.98716	1.0
59.01381	73.8
61.98843	1.1
65.30938	1.1
71.01374	13.1
72.99276	1.1
73.02950	4.8
75.00867	12.9
83.01388	1.7
85.02940	10.1
87.00875	2.2
87.04478	1.2
89.02445	6.6
99.00867	1.9
101.02421	16.8
113.02442	9.4
119.03442	1.7
124.98471	1.2
128.09410	1.2
132.27838	1.4
133.05058	1.9
138.43216	1.5
142.11626	1.2
145.08728	5.8
156.38885	1.3
161.02483	2.8
161.04602	1.9
187.09785	4.1
193.05095	1.6
214.22049	1.6
223.44043	1.3
265.07172	1.8
447.25903	1.7
507.28168	100.0
551.17194	1.6
551.24707	5.0
551.31183	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.2
59.01383	26.7
71.01382	20.2
73.02946	5.8
83.01393	1.9
85.02941	8.6
87.00875	4.4
89.02438	14.0
95.01377	1.1
95.80965	0.8
97.02976	1.8
99.00850	1.4
99.46527	0.8
101.02446	26.7
111.00888	1.0
113.02436	12.1
119.03497	3.1
124.95122	0.8
125.02419	3.3
131.03468	1.5
132.31049	0.8
134.03822	0.8
141.01880	0.8
143.03462	1.3
161.04573	7.6
179.05687	0.9
248.79016	0.8
271.61203	0.8
285.08841	1.5
326.34003	0.8
541.69757	0.9
551.19421	3.6
551.27155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86415	1.6
56.01417	2.3
56.04305	1.7
56.87019	2.0
58.02979	2.0
63.66351	1.7
70.02960	3.6
71.62117	2.0
74.00691	29.8
74.02467	29.1
79.97007	1.9
87.05643	11.9
91.72019	1.9
94.26987	2.3
97.04086	3.4
99.05634	23.4
99.99747	3.8
100.00398	100.0
107.27467	2.2
113.03595	1.9
125.03548	3.1
126.04333	12.1
143.04591	2.6
157.00769	4.4
218.39513	2.1
235.66562	2.2
277.21701	14.1
302.24927	3.0
328.22845	2.8
330.24362	2.3
330.29120	2.1
334.22159	43.5
359.27112	35.0
403.26065	71.9
435.23285	15.9
453.24329	86.2
551.34119	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2875
Annotation	Malyngamide A
Peak:m/z	Relative Intensity
58.04290	3.5
59.01379	38.1
62.78003	3.6
71.01374	15.9
72.49361	4.2
73.20332	3.7
78.95899	5.5
85.05220	3.4
89.02438	15.1
121.02951	5.6
123.04530	9.2
127.07507	4.1
129.01968	4.4
135.24765	4.1
147.03035	6.1
152.99611	6.9
164.74091	4.1
176.08403	42.2
183.38351	5.1
183.50706	4.2
193.54611	4.9
206.59492	4.2
233.11545	5.1
271.09756	4.9
468.15231	5.1
550.55890	4.7
551.28741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2869
Annotation	Malyngamide A
Peak:m/z	Relative Intensity
59.01382	32.3
71.01373	9.1
74.71703	0.9
78.95911	6.1
83.01391	2.0
85.02951	2.1
89.02446	10.8
96.96012	1.4
101.02426	8.0
106.48871	1.1
108.02169	4.2
108.42093	1.0
113.02446	2.0
113.85837	1.0
119.03491	2.3
121.02968	2.1
123.04492	11.6
134.03755	2.6
152.99573	8.7
161.04649	1.2
161.06068	1.0
165.05656	1.4
167.03535	1.6
173.09741	6.0
175.07600	14.6
176.08461	6.1
191.10806	1.9
192.11575	1.6
193.05121	3.9
206.09410	1.1
257.15506	1.7
422.19333	10.2
438.22629	20.2
491.26837	2.3
507.29968	2.2
519.25970	1.2
533.27441	1.5
536.08661	1.1
551.28857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2898
Annotation	Malyngamide A
Peak:m/z	Relative Intensity
54.79990	0.4
55.70495	0.4
56.63701	0.5
64.05892	0.4
78.95882	0.6
79.95725	4.6
80.96509	25.8
83.12054	0.4
96.96013	0.7
101.02425	0.7
106.98077	1.1
122.97511	0.6
125.02458	0.6
136.99152	2.6
164.98616	12.1
182.99663	0.8
191.10767	0.5
221.01329	0.9
239.02293	9.4
241.00262	1.8
257.03378	0.6
261.91684	0.5
329.05319	2.5
342.28320	0.7
469.25684	0.7
551.28979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02031	6.0
72.05546	7.2
73.57715	6.1
75.19623	6.7
75.89120	6.0
77.16599	6.3
86.02892	6.7
206.02165	7.4
255.23241	10.1
316.64429	8.0
342.62958	7.2
383.62558	7.6
497.09854	8.5
551.29840	100.0
551.36395	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18548	5.5
52.69297	5.5
52.90349	7.4
53.73270	6.6
64.36406	6.9
70.81761	6.6
78.95904	8.9
128.86513	7.3
167.09312	7.5
190.55991	7.2
255.06596	10.5
279.23248	9.6
283.09720	11.6
331.26544	7.8
551.17236	13.5
551.29742	100.0
556.27069	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12915	6.9
54.63249	6.6
55.38461	7.2
59.01375	19.3
61.98847	9.4
105.69311	7.5
152.22917	9.6
255.23393	35.2
259.96683	9.5
267.36023	9.9
365.16766	8.8
371.93069	9.5
541.14838	8.8
551.29871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26423	5.5
69.50304	5.9
71.12314	6.5
72.43420	6.9
81.82023	6.5
142.40955	7.7
147.77086	7.5
211.16081	7.5
255.23326	67.0
432.86008	6.9
477.89090	8.6
508.98853	10.1
551.29895	100.0
551.38501	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.1
71.01380	13.9
73.02942	1.7
83.01388	0.9
85.02943	4.1
87.00883	3.2
89.02435	20.2
95.01355	0.7
96.96029	1.2
101.02435	14.3
113.02464	7.4
119.03481	8.0
123.04495	0.9
129.01924	1.1
130.00166	0.6
134.03749	1.5
139.03955	0.9
147.02950	0.8
149.02441	0.7
150.03221	5.4
151.03976	2.9
160.01692	0.8
161.04443	0.7
164.04819	1.1
165.05542	4.1
172.13277	0.7
175.04019	5.0
176.01149	5.4
178.02701	0.8
190.02737	1.7
191.03491	7.2
191.07167	0.9
193.05086	6.9
194.05495	0.8
204.04172	0.7
205.05043	5.7
205.08730	1.4
208.07404	1.1
209.04645	0.8
222.05356	3.2
223.06177	0.9
235.06149	1.2
237.07732	1.1
265.07043	1.0
291.08734	1.1
293.21292	4.8
295.08383	1.1
311.22256	1.5
329.23230	0.9
343.50433	0.8
359.15060	3.8
389.16306	1.3
442.21509	0.8
491.28781	1.2
519.14764	6.7
533.16803	0.9
551.18176	15.0
551.30823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38912	1.1
54.41866	1.1
59.01381	100.0
63.73245	1.2
140.64682	1.5
184.70676	1.3
255.23396	1.9
279.23288	20.3
282.35699	1.7
379.27975	1.4
379.32825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30056	1.0
57.27485	0.9
59.01383	100.0
62.33601	1.0
62.34207	0.9
67.12672	1.0
71.01382	16.3
73.02937	15.2
78.95884	1.3
83.01371	2.5
85.02937	5.8
87.87829	1.2
89.02457	14.8
101.02438	19.5
103.81234	1.2
113.02431	9.7
115.76457	1.2
119.03475	6.1
152.99576	1.4
161.04599	5.7
171.10255	1.5
173.98325	1.1
214.51469	1.4
285.14557	1.3
287.16550	1.3
336.88013	1.6
509.31476	11.0
509.37970	1.5
551.32550	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34733	0.5
59.01383	100.0
61.98843	0.8
71.01388	4.7
73.02936	0.9
79.63822	0.5
82.99642	0.6
85.02966	0.8
101.02447	2.8
113.02422	0.8
139.12820	0.5
147.44209	0.6
158.85422	0.6
161.04634	0.7
161.90074	0.5
313.30493	0.6
329.99222	0.7
347.25708	4.6
509.31116	3.2
551.32349	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86460	0.5
55.82282	0.5
59.09844	0.5
68.15056	0.6
78.95900	34.7
78.96366	1.2
96.96936	4.7
113.09731	1.3
139.11227	0.9
151.04047	0.8
152.99573	51.6
159.10252	41.2
217.09898	0.6
220.30360	0.6
255.23300	100.0
269.04550	3.4
295.09534	5.5
391.22476	14.1
409.23581	5.0
455.17734	0.7
505.53964	0.8
530.83997	0.8
551.33624	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69410	0.4
78.95903	28.8
79.63332	0.5
89.98937	0.5
96.96960	4.4
100.42787	0.5
113.09659	0.7
121.17329	0.5
131.98837	0.5
152.99590	40.5
159.10268	34.5
165.83266	0.5
185.09070	0.6
255.23320	100.0
279.25299	0.6
295.09537	4.6
391.22681	10.4
391.85858	0.6
409.23639	4.6
497.06668	0.7
551.33655	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06224	0.3
59.01382	10.5
61.98843	0.4
62.04996	0.3
71.01367	0.8
73.02930	0.5
78.95906	0.6
85.02999	0.4
85.09462	0.5
89.02429	2.1
101.02433	2.9
113.02451	0.5
119.03528	0.8
142.98978	0.4
152.99571	0.4
161.04585	1.5
161.49707	0.4
162.17232	0.4
190.27608	0.4
229.42445	0.4
235.08185	2.0
253.09322	9.5
255.23314	100.0
268.15485	0.4
275.02203	0.4
349.66031	0.4
467.64505	0.4
491.32214	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95598	0.6
60.04031	0.6
60.12598	0.6
69.10786	0.7
72.99314	6.0
73.02940	4.1
75.00864	55.6
79.29956	0.6
90.41154	0.7
118.26320	0.6
140.67247	0.8
164.32784	0.8
175.49913	0.8
183.17603	0.8
217.85663	0.8
275.18671	100.0
478.36844	0.8
551.26898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22119	1.1
112.91281	1.3
128.08023	1.3
138.25142	1.2
142.44119	1.1
153.12854	44.5
176.94006	1.4
179.91031	1.2
197.11853	66.9
199.96585	1.4
215.12894	87.6
271.15536	6.5
279.23303	83.2
289.16559	10.7
350.84760	1.3
353.75546	1.2
387.69110	1.3
551.39569	100.0
561.24036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41401	0.8
72.99313	10.9
81.03457	1.2
83.05023	12.8
83.77341	0.9
111.04511	30.1
115.03996	5.4
127.04008	78.0
129.05597	7.1
134.03773	1.6
137.02451	5.7
143.46768	1.0
150.03159	1.2
155.03503	81.4
165.05559	8.3
166.05927	3.8
168.04782	1.1
171.02904	3.5
172.24432	0.9
176.04613	1.8
191.07214	1.3
193.05048	5.6
194.05373	1.3
195.06665	1.6
199.02495	62.4
212.12350	1.0
217.03539	100.0
236.06509	1.4
265.04367	1.0
272.02420	1.0
390.12674	3.5
432.13821	2.0
481.24603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97105	0.7
59.01389	1.1
62.51283	0.8
65.20644	0.8
72.99310	11.7
83.05019	13.1
93.03473	1.7
98.57141	1.1
111.04503	29.8
115.03996	6.8
127.04008	88.9
129.05597	5.1
134.03712	1.1
137.02412	3.9
142.92798	1.0
155.03506	89.6
165.05542	1.6
166.05911	1.2
171.03032	2.1
193.05040	1.9
194.05351	1.6
195.06668	1.6
198.73799	1.1
199.02495	66.9
217.03546	100.0
236.06447	1.2
243.40802	0.8
281.80957	1.0
316.91937	1.0
390.12686	1.9
495.29367	1.1
497.17789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39175	1.4
59.01379	3.6
60.34892	1.6
69.03455	1.4
71.01377	9.4
73.02946	59.5
78.95899	13.1
84.04527	3.6
85.02942	7.7
93.65379	1.6
96.96958	13.5
101.94949	1.8
110.09746	2.2
120.64107	1.7
125.09669	2.2
128.10782	3.6
130.08765	3.7
134.09749	3.8
140.10835	2.2
142.12323	2.5
152.10809	100.0
153.08038	2.1
162.91760	1.7
164.10794	11.5
164.51239	1.6
170.11885	42.8
182.11891	3.0
191.05635	24.4
192.06010	13.8
194.11845	2.3
214.10922	16.5
214.12674	1.7
256.11951	2.8
259.02234	3.2
274.10022	3.9
274.12979	84.0
322.24863	1.8
356.84131	2.0
360.10074	2.1
454.19449	75.4
479.06662	2.2
484.96021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68782	1.1
66.08752	1.2
71.51656	1.3
72.99304	79.7
102.35330	1.4
113.65916	1.4
123.04523	35.1
135.04521	44.9
147.15993	1.3
151.03961	3.4
179.03500	61.1
179.05006	2.9
192.92868	1.4
197.04567	100.0
324.08728	12.1
325.09561	24.9
339.11191	21.6
340.11942	52.7
354.13531	22.8
552.18829	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.204
Annotation	Carbazomarine A
Peak:m/z	Relative Intensity
64.91169	0.8
70.36755	0.7
78.95898	45.0
96.96068	0.8
96.96944	1.6
98.95562	0.8
99.92586	7.2
100.93354	2.1
105.17268	0.8
114.60397	0.8
114.94928	7.7
115.92075	9.3
116.70557	0.8
116.92863	1.9
134.98589	1.0
141.96031	13.4
143.24341	0.8
144.73024	0.9
150.97989	3.4
152.99585	49.3
163.89676	1.6
164.90523	3.8
171.00685	1.7
178.88438	5.8
179.89207	16.0
180.90024	6.9
181.90828	7.3
192.00639	1.8
194.02251	1.6
195.18149	0.9
196.89496	24.9
204.92415	4.5
205.90939	1.1
205.93115	3.9
219.92287	1.3
235.91898	7.3
236.92567	1.9
255.23306	29.3
409.23920	1.3
492.16177	1.1
516.18549	5.6
534.19794	7.0
552.20416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01380	9.1
61.98825	3.7
65.64899	0.8
70.24946	0.8
76.24288	0.7
83.54179	0.8
86.44515	0.9
87.83414	0.9
88.86480	0.9
99.04493	1.1
102.05595	14.0
124.04015	11.3
125.02475	1.1
128.03529	39.4
133.06621	1.1
137.06090	1.1
139.07648	12.5
144.06656	3.7
146.04591	100.0
148.07695	3.9
156.38808	0.9
164.03516	3.8
166.08759	5.9
168.07866	1.5
170.04575	5.6
188.05658	5.2
188.35858	1.0
192.06625	2.1
205.12387	2.1
210.07742	28.5
230.06702	5.6
236.05728	12.5
254.06712	21.0
272.07803	16.5
290.08847	3.6
552.20966	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45561	0.6
56.49596	0.7
60.58318	0.6
78.95905	4.4
79.96115	0.6
88.18999	0.7
136.23856	0.7
147.88673	0.7
152.99593	1.5
168.04314	1.7
229.71828	0.7
242.08012	4.4
277.21753	100.0
458.90039	0.8
465.53592	0.8
465.83847	0.8
502.29459	65.7
552.28729	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.2
60.82363	0.7
74.11521	0.7
78.95903	15.1
82.46428	0.8
92.23134	0.8
109.36778	0.8
117.99173	0.9
152.99586	6.1
168.04340	4.2
196.44014	0.9
224.06917	12.9
242.07939	4.0
245.40521	1.0
253.21758	93.5
277.21747	100.0
315.27081	0.8
370.13776	1.0
478.29446	44.9
502.29443	83.1
552.28333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77356	0.4
59.01381	10.0
62.96410	0.9
70.02396	0.4
78.95900	10.4
81.01149	0.5
94.05712	0.4
134.70357	0.5
152.99582	3.8
168.04317	2.3
179.89186	0.6
196.89452	0.5
200.48782	0.5
202.30696	0.4
224.06914	8.6
242.07990	0.7
253.21744	100.0
478.29431	62.3
478.39560	0.7
508.29520	0.8
516.15649	1.6
552.33728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.1
60.23223	0.3
64.57453	0.4
78.95896	3.2
85.57818	0.4
114.76630	0.4
143.60783	0.4
152.99603	1.4
168.04332	0.8
214.09190	0.4
217.63454	0.4
224.06912	1.8
242.07903	1.0
253.21750	100.0
277.21738	12.4
478.29449	42.7
502.29456	11.1
552.33185	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1147
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
56.05573	1.1
57.04092	1.1
62.49874	1.1
76.01900	1.4
78.57346	1.2
78.95920	4.8
82.88084	1.4
88.12466	1.1
107.01292	1.1
116.84442	1.4
125.02451	2.8
152.99658	1.4
165.01981	2.5
177.01834	7.6
181.06422	1.4
183.04510	6.7
185.06113	2.4
189.28581	1.5
197.06100	1.7
209.06064	2.2
211.07526	1.6
225.05574	3.1
237.05540	10.2
239.07111	2.5
243.06699	1.7
253.05093	17.6
255.06602	2.0
265.05057	11.2
269.04578	96.0
271.06143	95.8
281.04572	28.8
283.06158	38.2
436.43256	1.7
509.30011	6.1
553.11438	100.0
553.25989	4.6
553.34387	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1512
Annotation	Vestitol-(5'->3)-7,2'-dihydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
59.01372	3.2
64.36922	0.6
69.56838	0.5
80.32159	0.6
84.32302	0.6
89.52408	0.6
114.86053	0.7
135.28076	0.6
139.03990	1.5
152.01141	12.0
163.20103	0.6
165.01917	0.9
173.06184	0.8
181.06583	1.5
193.06578	1.2
197.06099	1.0
208.05397	1.0
209.06097	4.5
213.05595	1.2
224.04691	0.6
225.05577	7.9
235.80153	0.6
237.05611	3.5
238.06497	4.7
241.05092	1.5
253.05089	25.0
253.08734	8.5
256.07428	2.6
266.95715	0.6
269.04575	100.0
271.09784	82.0
281.04565	63.7
283.09787	2.4
285.16415	0.6
553.15137	82.1
553.32581	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1513
Annotation	Bedaquiline
Peak:m/z	Relative Intensity
50.25893	0.5
53.33173	0.5
54.93164	0.5
59.01366	3.6
66.61566	0.7
72.70937	0.6
136.05299	1.0
139.04039	4.9
151.04024	7.8
153.05661	0.8
153.06950	0.6
173.06097	3.9
209.06094	1.4
213.05453	0.7
225.05566	5.2
227.10805	16.4
237.05598	0.7
253.05110	13.6
254.31310	0.6
269.04581	74.0
271.09784	70.1
281.04581	34.3
283.09784	46.6
290.70090	0.6
335.09128	2.6
553.15118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1512
Annotation	Vestitol-(5'->3)-7,2'-dihydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
55.44004	0.5
55.93786	0.5
74.12957	0.5
92.22578	0.8
125.02449	2.2
151.00349	2.6
161.28908	0.5
163.00359	2.5
165.01942	4.4
177.01906	6.3
197.06084	0.8
209.06087	0.8
211.07695	1.2
213.92188	0.6
215.07077	0.9
222.53185	0.5
225.05559	2.1
225.09213	0.9
227.07126	3.2
237.05612	6.3
239.07153	2.5
244.70581	0.6
253.05038	6.4
265.04980	6.2
269.08194	58.5
271.06137	100.0
283.06137	28.3
286.10681	0.6
414.34659	0.6
447.70154	0.7
553.15106	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61901	0.6
61.98830	100.0
78.95915	0.7
92.23055	1.0
93.30145	0.7
98.47173	0.8
109.03942	0.7
123.04549	1.0
125.09711	4.3
138.84167	0.7
150.03265	0.9
186.11356	4.5
191.82840	0.9
195.14957	1.2
200.12994	1.0
339.22906	1.3
370.48422	0.8
514.51080	0.8
553.20538	1.2
553.39948	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00348	0.7
52.63064	0.7
53.11335	0.6
58.91099	0.6
59.01376	0.9
61.98832	100.0
75.47801	0.7
76.79382	0.6
78.95900	0.9
99.05373	0.7
125.75616	0.9
150.05737	0.7
153.71759	0.7
184.68321	0.8
187.09796	0.7
224.87370	0.7
347.74310	0.9
509.90878	0.8
553.21161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20836	2.8
66.45692	2.7
73.31120	2.9
85.72625	2.8
126.69164	3.2
139.04013	4.8
151.03979	14.0
173.06116	3.4
227.10806	26.0
236.43060	3.4
254.05902	4.4
255.23363	27.5
269.08179	41.1
271.09769	100.0
281.08264	23.1
283.09799	87.2
553.18854	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18388	0.4
53.13019	0.4
55.25890	0.4
79.37601	0.4
80.09368	0.4
83.65035	0.5
116.76079	0.5
121.48488	0.6
139.03995	0.9
152.01164	11.0
160.74030	0.6
163.00346	5.5
165.01945	2.1
166.02702	7.6
173.06122	0.7
186.96773	0.6
225.05582	1.9
225.09258	0.7
227.07123	1.1
238.06407	4.8
252.08078	2.5
253.08720	9.1
255.06685	11.0
256.07422	3.9
267.06650	17.8
267.10043	2.4
269.08209	55.3
270.05368	0.6
270.09015	5.2
271.09778	100.0
281.08206	3.3
283.09830	4.1
285.11340	40.6
285.20984	0.7
288.46545	0.7
297.11453	0.8
343.59921	0.5
479.80679	0.7
553.18823	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55375	0.4
57.60807	0.4
61.67247	0.5
79.01892	0.5
89.41005	0.4
95.05035	0.6
97.02920	0.6
110.87029	0.5
116.92816	0.5
123.04509	41.7
130.43680	0.4
136.05286	0.8
138.98964	0.5
139.04015	9.3
151.03990	6.9
153.05565	78.2
165.01917	1.2
173.06099	3.7
177.01869	0.7
185.09695	0.8
225.09299	0.7
227.07222	1.2
227.10794	23.3
227.13033	0.8
239.10875	0.6
253.08652	1.9
255.10139	0.7
265.08688	0.8
269.08203	51.3
271.09766	100.0
281.08023	0.9
283.09763	52.2
553.18823	45.4
553.32898	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
59.87514	0.9
60.80438	1.0
61.98812	1.6
65.00321	1.0
66.37802	1.0
68.28982	0.9
71.01387	5.9
73.02953	1.1
78.95924	1.6
82.22228	1.0
87.00874	1.0
89.02424	2.2
101.02444	4.1
105.01913	4.1
113.02416	1.8
117.03487	1.0
124.01642	2.2
133.06573	6.6
137.02432	1.7
150.03224	1.5
152.99612	1.5
159.06247	1.1
165.05522	1.3
177.05696	1.0
192.07945	8.0
193.01437	1.9
205.59811	1.1
217.15994	1.3
218.05823	4.2
229.18095	10.0
231.06540	2.1
243.06613	14.3
243.13925	5.4
245.04800	1.1
249.07764	3.9
261.07687	49.8
261.14975	32.3
287.12906	43.4
305.13858	4.5
373.22433	4.6
385.39136	1.0
391.23480	19.8
505.18661	2.1
509.20325	100.0
535.84906	1.2
553.20544	8.8
553.28705	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.9
60.36850	0.7
62.06582	0.7
71.01363	3.1
73.02939	0.9
85.02943	3.1
87.05205	0.7
89.02444	3.9
94.74686	0.6
99.04522	1.1
101.02425	4.1
102.48342	0.7
106.57428	0.7
113.02418	1.6
117.03481	3.5
127.04011	1.2
128.03557	0.8
134.03732	63.4
148.05287	3.2
148.95618	0.9
149.06064	20.2
149.07202	1.5
155.03445	2.7
160.01707	9.9
175.03996	33.6
175.06329	0.9
190.78949	0.7
193.05064	100.0
199.02481	1.5
204.04280	7.1
212.34999	0.9
217.03471	3.1
218.03665	0.8
219.06606	9.1
220.91597	0.7
247.09665	1.4
291.08798	4.6
421.18811	1.2
455.15640	97.5
493.22928	1.2
553.18933	4.2
553.25909	2.4
553.32428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14351	0.6
55.26013	0.7
57.43705	0.7
59.01374	5.0
60.47902	0.6
71.01385	4.1
73.02953	0.9
78.33417	0.7
81.03458	0.9
89.02448	3.2
95.49178	0.8
97.02950	1.1
99.04566	1.0
101.02421	3.7
111.85015	0.9
113.02451	1.2
115.03984	1.2
117.03433	5.9
134.03741	100.0
148.05278	1.6
149.06084	19.0
160.01640	11.1
175.04001	21.1
193.05067	80.5
215.16798	1.0
273.56219	0.8
305.29602	0.8
319.87997	0.8
421.24454	1.5
429.50174	1.0
450.51605	0.9
455.15646	83.8
553.19476	6.2
553.28723	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.8
63.33935	1.1
70.02991	5.2
71.01389	5.7
71.05012	5.2
73.02975	1.4
87.05640	1.9
89.02428	2.3
91.77872	1.0
99.04527	1.7
101.02401	8.4
113.02449	3.0
123.04505	1.9
128.01764	28.7
130.03316	8.4
136.05293	5.8
145.04477	2.4
146.08237	87.0
147.05864	3.5
149.02412	4.5
150.03217	27.0
151.04018	9.5
164.04800	7.5
165.05565	60.5
180.04350	2.9
181.05087	2.9
193.04950	1.6
195.06642	38.5
209.08199	1.5
217.11937	15.8
219.06723	1.7
237.07709	2.2
270.08939	1.5
275.10745	65.8
277.12268	41.2
277.15305	1.6
311.09128	9.7
323.12875	1.9
325.10809	2.8
343.11917	51.6
357.13562	2.1
361.13113	1.5
367.12000	6.2
370.10611	1.2
376.15338	5.4
379.11627	1.7
385.13013	5.2
391.13901	100.0
415.14169	5.9
433.15027	9.3
463.15503	1.8
493.17398	3.4
493.23038	13.4
553.23914	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.8
63.33935	1.1
70.02991	5.2
71.01389	5.7
71.05012	5.2
73.02975	1.4
87.05640	1.9
89.02428	2.3
91.77872	1.0
99.04527	1.7
101.02401	8.4
113.02449	3.0
123.04505	1.9
128.01764	28.7
130.03316	8.4
136.05293	5.8
145.04477	2.4
146.08237	87.0
147.05864	3.5
149.02412	4.5
150.03217	27.0
151.04018	9.5
164.04800	7.5
165.05565	60.5
180.04350	2.9
181.05087	2.9
193.04950	1.6
195.06642	38.5
209.08199	1.5
217.11937	15.8
219.06723	1.7
237.07709	2.2
270.08939	1.5
275.10745	65.8
277.12268	41.2
277.15305	1.6
311.09128	9.7
323.12875	1.9
325.10809	2.8
343.11917	51.6
357.13562	2.1
361.13113	1.5
367.12000	6.2
370.10611	1.2
376.15338	5.4
379.11627	1.7
385.13013	5.2
391.13901	100.0
415.14169	5.9
433.15027	9.3
463.15503	1.8
493.17398	3.4
493.23038	13.4
553.23914	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.5
63.14661	1.4
71.01373	11.5
72.02176	3.7
72.99328	2.8
73.02949	44.5
74.10666	1.5
84.02146	2.3
85.02945	12.3
89.02428	6.9
101.02436	6.2
113.02424	2.6
133.01335	2.2
134.03795	3.9
136.01643	33.8
137.06079	2.0
149.06035	2.7
150.03241	3.4
151.04012	100.0
164.04709	1.8
165.05565	13.1
177.05586	2.1
178.02747	8.2
179.07112	7.1
180.38684	1.7
193.05080	45.1
206.05852	2.3
207.06648	9.5
209.08224	48.3
211.06145	31.0
221.08301	3.7
239.09276	30.7
279.72806	1.7
343.11795	8.2
391.13977	7.9
493.22980	3.8
553.19629	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14578	0.6
57.03447	8.6
57.98038	0.6
59.01377	1.0
61.98822	0.6
62.63635	0.7
72.99329	0.8
73.92106	0.7
75.51274	0.7
78.95898	21.2
83.05025	1.1
87.00864	4.5
92.23048	0.7
96.96952	4.9
100.70437	0.8
105.01933	24.5
109.06564	1.1
113.74406	0.7
119.03395	0.7
149.09776	0.8
152.99585	52.2
167.10730	1.1
171.00696	1.0
179.10774	1.5
193.16019	1.5
195.13913	2.9
219.69467	0.8
223.00102	6.4
237.14963	86.0
241.01207	20.4
259.02310	1.0
315.04907	4.5
553.20648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2088
Annotation	Cerberalignan D
Peak:m/z	Relative Intensity
70.39608	0.8
78.65279	0.8
84.19905	0.9
85.02888	0.9
121.02957	1.6
122.03709	4.4
123.04680	0.9
133.02954	1.8
149.02440	35.8
150.03221	68.1
164.04807	20.5
165.05563	81.5
177.05531	3.6
180.04286	7.6
190.06284	1.8
195.06633	25.5
205.05104	1.1
208.40923	0.9
219.06621	1.7
224.06938	2.0
249.09036	1.0
265.08673	1.3
266.09409	0.9
267.10236	3.6
277.08667	4.3
281.08197	1.3
294.08920	1.4
295.06491	1.6
295.09753	7.6
297.07843	3.2
298.08456	1.5
309.07684	7.8
309.11368	4.0
310.08517	1.6
311.09415	1.1
311.16617	0.9
312.09943	6.6
313.10956	1.4
323.09113	1.1
324.10037	4.9
325.10794	1.0
327.12408	15.8
339.12354	13.1
413.13956	1.3
427.11896	1.7
429.13452	1.4
430.14224	1.0
431.15012	10.1
442.14279	4.8
443.14966	3.9
445.12347	3.3
457.16498	4.0
459.14389	7.9
460.15012	2.1
475.17670	8.6
487.17487	1.8
490.16559	3.7
505.18765	100.0
523.19659	1.6
535.19489	4.0
553.20831	46.0
555.25049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28701	0.9
59.01383	2.8
61.98835	4.4
65.32835	1.1
68.99812	6.1
70.66914	1.1
91.41862	1.1
105.01938	27.9
108.02175	15.1
108.40045	1.1
109.02944	1.3
123.00853	1.6
123.04530	15.9
136.01714	1.6
136.42133	1.2
144.40169	1.2
147.04445	1.2
150.03229	20.0
151.03990	2.0
151.82123	1.2
156.31601	1.2
161.02423	6.2
163.03967	7.7
164.04668	1.5
165.05586	10.6
177.05571	16.9
178.02721	40.0
179.03400	1.9
186.21814	1.5
191.05740	1.3
193.05074	38.2
195.06613	2.7
269.08231	1.4
272.88971	1.3
283.09726	1.6
311.09317	2.2
314.11615	12.9
326.11707	9.7
329.14029	16.1
329.51117	1.2
341.13782	4.6
366.11060	1.5
484.17221	1.4
553.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73987	1.0
59.01372	3.6
64.85180	1.4
71.01376	1.7
73.76183	1.3
85.70308	1.3
89.02404	1.3
107.53567	1.4
133.06581	1.8
225.05649	6.0
240.04254	3.5
240.07944	11.8
241.05064	10.6
255.06665	100.0
256.07428	17.7
264.07251	1.5
270.08994	75.7
271.09744	20.7
286.02692	1.8
290.97415	1.5
301.10831	67.9
331.19672	1.6
519.79926	1.6
553.19739	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2122
Annotation	N-Methylheteropsine
Peak:m/z	Relative Intensity
50.86903	0.9
55.38343	0.8
56.54657	0.7
58.99607	1.2
59.01393	10.1
68.25677	0.9
71.01385	1.5
74.99096	13.4
78.95895	4.7
81.53485	0.9
93.98270	0.9
101.02399	2.0
101.62875	0.9
109.02955	1.4
113.02486	1.4
115.88378	1.0
118.98079	100.0
134.03777	1.2
149.06126	1.3
150.03197	1.2
150.29837	1.0
150.37694	1.1
152.99574	1.4
157.24515	1.0
165.05479	1.2
173.02319	0.9
175.03914	1.7
176.04863	1.2
189.09167	1.4
193.05035	1.5
193.08815	1.1
195.06622	1.1
203.10800	4.6
205.19724	1.0
206.09448	6.2
221.02725	1.3
227.07222	1.2
243.13904	1.3
250.08296	1.1
307.13846	7.1
312.10260	1.3
340.78574	1.1
407.19299	2.0
433.18762	2.2
493.28378	2.2
509.22717	1.3
553.20795	28.6
553.28278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
63.31556	0.6
71.01383	1.3
81.85764	0.6
84.15668	0.7
85.02943	3.8
89.02444	2.8
101.02441	1.4
108.02163	0.6
111.00874	12.0
111.04485	0.7
113.02415	0.7
119.01361	4.2
147.00873	14.5
151.04024	0.9
165.05559	2.6
173.00984	1.4
178.99561	0.7
179.05583	0.9
191.05630	100.0
207.06680	6.2
212.30247	0.7
219.68181	0.6
271.09827	0.8
319.79077	0.7
343.12173	0.9
374.43967	0.7
391.14050	3.5
493.22733	3.6
553.18085	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11436	0.4
59.01367	0.6
64.30903	0.4
71.01369	0.8
73.02949	0.5
85.02943	2.5
87.00869	0.5
88.71198	0.5
89.02430	0.5
93.03468	0.7
108.52107	0.6
115.00349	1.1
119.03481	0.5
121.30997	0.5
127.04031	0.8
151.03990	1.1
165.05627	0.5
173.04512	2.0
191.05623	100.0
193.05058	0.8
212.28169	0.5
257.40179	0.5
319.74042	0.6
379.16086	1.8
391.13235	1.0
470.61462	0.8
518.05298	0.6
553.18701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59957	0.7
55.99623	0.7
59.01377	5.2
60.99313	10.4
64.56776	0.9
67.01903	1.0
71.01389	1.6
72.99308	0.8
87.00877	7.2
88.98803	100.0
89.02441	11.5
101.02449	1.7
103.50247	0.8
111.00875	44.5
173.00903	1.9
176.95432	0.9
191.05666	5.5
199.10924	0.8
200.05751	0.8
463.22308	1.2
493.22852	4.4
553.17731	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
59.54463	0.5
60.99307	11.3
62.47585	0.5
65.14938	0.5
65.41662	0.5
71.01389	4.6
72.99297	0.7
73.02952	0.7
74.33898	0.5
85.02920	1.3
87.00860	1.1
88.98801	100.0
89.02441	9.7
99.00866	0.6
101.02440	5.6
111.43538	0.6
113.02434	3.4
135.47632	0.6
146.08264	0.6
157.83954	0.7
161.04550	3.7
179.03400	0.6
195.64548	0.6
195.96252	0.5
197.04544	1.3
331.17563	1.1
463.21945	12.6
493.22833	5.3
553.24512	1.2
561.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69410	1.2
82.91264	1.2
82.98368	1.5
122.03624	1.4
137.02452	6.6
139.04114	1.3
151.04053	1.8
152.04820	1.9
161.73746	1.5
165.05533	9.7
181.05095	10.7
195.06657	18.7
209.08130	2.3
222.06378	1.5
222.81194	1.3
306.34683	1.4
331.11832	5.5
345.13336	6.6
357.89221	1.4
361.13004	19.2
376.15350	36.0
391.17682	100.0
493.22781	3.2
553.23383	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57065	1.0
59.01385	1.7
61.27593	0.9
71.01392	1.3
85.71276	0.9
89.02495	1.2
96.96027	2.2
106.40838	1.3
113.50883	1.0
122.03746	1.8
125.02451	1.2
137.02455	5.9
138.03227	1.3
139.04042	1.7
150.03116	1.0
151.04015	1.3
152.04779	4.7
165.05513	7.9
169.44012	1.2
181.05093	9.1
195.06613	15.3
209.08212	4.6
323.52026	1.2
331.11771	4.6
345.13504	4.3
361.13034	22.4
376.15308	27.5
391.17682	100.0
553.18372	1.9
553.31909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.23
Annotation	TMC 2B
Peak:m/z	Relative Intensity
53.12937	0.9
59.01384	25.6
71.01378	14.0
73.02934	2.3
85.02911	6.8
89.02441	14.9
101.02436	15.1
113.02430	7.6
119.03465	4.2
132.47528	1.1
135.98347	1.8
136.99155	1.2
165.05507	6.0
181.04991	6.3
181.12369	1.8
195.06595	6.7
209.08041	1.2
225.11288	6.3
343.11774	1.2
345.13437	1.3
358.14117	1.6
361.12851	5.2
373.16223	1.4
376.15323	15.4
391.17682	18.1
530.63281	1.2
553.22461	100.0
553.29199	10.7
557.75677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.28439	0.6
57.03449	0.7
59.01092	1.0
59.01377	12.2
71.01377	12.0
71.01730	0.7
71.81111	0.5
73.02943	6.9
74.89791	0.6
83.01393	4.8
85.02952	8.3
87.00887	0.9
89.02439	4.2
95.01382	1.0
99.00858	3.5
101.02441	20.8
112.23640	0.6
113.02428	6.2
117.07796	0.7
119.03558	0.6
134.03735	0.7
147.55058	0.6
159.03072	0.7
162.03265	0.7
166.06360	12.9
167.07141	3.1
172.27486	0.6
175.04150	0.6
176.15735	0.5
181.08714	37.7
328.11783	1.0
343.14011	100.0
361.15594	1.2
414.31470	0.7
525.36127	0.7
535.17444	2.7
552.39941	0.7
553.23517	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45539	1.2
59.01388	9.1
64.24360	1.2
71.01398	8.3
73.02951	4.5
77.74853	1.1
85.02945	4.5
89.02426	8.1
101.02453	11.3
113.02444	6.7
119.03513	1.4
122.03732	1.5
125.02416	1.5
136.05354	1.6
137.02388	3.3
139.03947	1.6
150.03201	7.6
151.03951	2.3
152.04781	2.3
161.04633	2.0
164.04823	2.2
165.05573	25.3
173.53297	1.1
179.07164	2.6
180.04318	1.2
181.05058	9.2
195.06660	23.2
206.06070	1.2
207.06754	1.9
209.08238	2.3
216.06609	2.0
218.07594	1.2
311.08954	2.1
331.11865	7.0
343.12085	8.4
345.13342	2.6
361.13013	21.4
376.15283	36.2
391.17844	100.0
415.14130	1.5
433.14777	1.7
461.16171	1.4
493.16714	2.2
493.23013	31.0
553.22852	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05673	2.3
59.01392	9.4
59.57766	1.7
60.81542	1.9
63.88627	1.7
64.18739	1.8
70.02956	3.2
71.01368	10.5
71.63142	1.8
73.85365	2.0
88.15144	2.1
89.02449	11.3
89.27869	1.9
101.02435	7.6
111.05615	3.1
113.02418	3.3
119.24864	1.9
128.01755	31.5
130.03288	8.2
137.02368	2.7
139.04027	5.1
145.04442	3.7
146.08232	100.0
150.03232	13.0
155.04759	2.0
162.28314	2.3
164.04790	2.6
165.05539	20.8
188.50111	2.2
193.05124	5.2
195.06635	15.8
201.70273	2.1
217.11874	17.2
258.37601	2.4
275.10727	61.7
277.12277	42.6
289.94650	2.6
291.96899	2.3
311.09219	4.4
325.10968	2.8
343.12048	30.8
389.97284	2.2
391.13660	31.3
391.17947	10.5
493.23227	11.3
504.01102	2.5
553.18250	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
59.01102	1.5
59.01385	32.4
65.49561	0.7
71.01381	19.0
72.99302	0.8
73.02946	6.7
75.27493	0.7
83.01390	1.4
84.38142	0.7
85.02946	6.4
88.98803	3.3
89.02443	16.2
99.00867	3.1
101.02440	26.7
113.02449	11.4
119.03487	8.1
125.02374	1.4
130.42590	0.8
159.02963	1.5
161.04568	4.7
331.17712	1.7
373.18799	8.2
391.19852	1.5
481.22876	0.9
493.23032	3.8
553.25134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87176	1.0
59.01385	20.4
67.78249	1.5
71.01377	27.7
73.02946	11.6
81.76344	1.1
83.01385	2.9
85.02946	13.7
87.00878	1.4
89.02439	23.0
92.23096	2.7
95.01364	1.7
99.00887	2.8
101.02444	34.9
101.03076	1.9
113.02443	16.9
119.03504	5.9
125.02415	2.2
127.04063	1.7
135.04524	1.5
135.19696	1.3
137.02467	2.0
143.03421	2.2
150.03221	2.8
151.04044	1.6
159.03053	2.1
161.04523	11.1
165.05602	15.5
175.04037	2.1
181.05048	5.8
191.05644	3.2
193.05067	2.4
195.06670	10.8
217.03502	1.7
217.84108	1.7
219.06734	2.4
225.50995	1.5
234.00627	1.3
328.13556	1.5
331.11789	2.1
331.17609	7.0
343.11789	3.3
361.13147	6.2
376.15326	15.0
391.13788	4.3
391.17780	48.7
493.23010	100.0
552.30884	1.6
553.15057	2.7
553.23126	3.1
563.64185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
56.95367	0.9
58.07433	0.8
59.01381	50.2
71.01376	19.0
72.27350	0.9
73.02949	8.5
83.01374	2.2
85.02950	7.1
86.44427	0.9
88.56735	1.0
89.02437	5.6
95.01380	1.3
99.00880	1.7
101.02431	19.5
112.09472	1.0
113.02451	12.7
114.16087	0.9
119.43745	1.0
159.03030	1.5
161.04556	10.8
211.27295	1.1
243.73724	1.0
294.40057	1.1
331.17596	5.8
453.48126	1.4
493.22974	100.0
553.25494	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02634	1.8
54.91686	1.9
57.03446	2.7
59.01104	3.7
59.01382	72.0
66.46468	2.0
71.01379	54.0
72.99294	3.5
73.02937	11.1
75.84914	1.9
85.02941	12.7
87.00880	10.3
88.98803	11.1
89.02438	100.0
95.01357	2.5
101.02438	49.4
111.00879	35.1
113.02451	33.0
119.03487	33.9
131.03522	3.7
143.03453	3.8
149.04578	2.8
161.04524	17.3
179.03403	2.0
179.05617	28.2
191.05609	27.4
197.04567	2.8
218.74403	2.5
221.06740	5.2
266.72073	2.1
493.22977	99.5
553.17511	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02634	1.8
54.91686	1.9
57.03446	2.7
59.01104	3.7
59.01382	72.0
66.46468	2.0
71.01379	54.0
72.99294	3.5
73.02937	11.1
75.84914	1.9
85.02941	12.7
87.00880	10.3
88.98803	11.1
89.02438	100.0
95.01357	2.5
101.02438	49.4
111.00879	35.1
113.02451	33.0
119.03487	33.9
131.03522	3.7
143.03453	3.8
149.04578	2.8
161.04524	17.3
179.03403	2.0
179.05617	28.2
191.05609	27.4
197.04567	2.8
218.74403	2.5
221.06740	5.2
266.72073	2.1
493.22977	99.5
553.17511	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48520	0.8
59.01390	11.6
65.34243	0.9
71.01384	24.8
73.02942	10.6
73.44390	1.0
76.72514	0.9
83.01389	2.0
85.02948	9.7
89.02435	7.9
99.00873	4.7
101.02441	31.8
111.15173	0.9
113.02451	14.9
119.03475	2.4
122.91355	1.2
125.02467	1.2
143.03584	1.5
159.03004	1.2
161.04565	17.8
212.04523	1.0
235.70398	1.3
286.81512	1.1
331.17734	8.7
493.23010	100.0
495.30521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98830	1.4
62.84362	0.5
72.99300	3.0
75.00867	4.2
77.73520	0.6
87.00880	4.2
95.60647	0.7
105.01933	100.0
134.03654	0.8
139.23201	0.6
141.62799	0.6
144.93723	0.6
151.03989	0.7
189.05577	1.5
213.05618	1.4
225.05548	5.9
226.06267	2.4
240.07942	12.2
241.05070	7.3
241.08746	1.0
256.07428	17.2
271.09766	18.0
523.19812	17.3
553.20947	0.9
576.05817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04560	0.5
57.09635	0.5
69.25700	0.5
71.01368	3.9
71.30381	0.5
73.02943	0.8
78.98595	5.0
79.95726	3.8
80.96512	44.0
81.03437	0.8
85.02927	2.6
87.00861	2.5
88.95880	0.5
91.53944	0.6
94.98074	14.1
96.95998	2.3
97.02924	1.3
101.02425	2.5
106.98067	1.2
122.97572	4.2
125.02414	4.0
127.03983	0.7
131.98572	0.7
134.97578	4.3
136.31291	0.6
136.99150	1.1
138.59015	0.6
140.03668	0.6
142.06142	0.5
148.99113	7.2
152.98618	6.9
164.98619	14.4
167.00076	0.8
197.11781	3.0
206.99612	4.3
224.98584	1.1
225.00760	26.3
241.10818	1.1
253.21739	3.7
254.95213	0.7
299.04315	5.3
315.69098	0.6
425.93625	0.7
553.26898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
71.01379	3.6
73.02958	0.8
78.95909	0.9
78.98583	4.2
79.95734	4.3
80.96516	44.0
85.02936	0.9
87.00863	2.2
91.04870	0.6
94.98080	10.9
96.96000	0.8
97.02929	2.1
101.02428	1.2
104.98051	0.5
106.98048	1.2
108.15033	0.5
122.97556	2.1
125.02416	3.8
127.04035	0.8
131.04625	1.0
134.97589	4.5
136.99133	1.1
148.99138	6.0
152.98630	5.9
164.98631	14.6
167.00174	0.5
188.98599	0.7
206.99695	3.8
211.77837	0.5
225.00755	22.1
299.04471	7.1
305.83401	0.6
317.05450	3.8
553.26880	100.0
561.16925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36396	0.4
54.19392	0.4
59.01385	1.1
61.98824	0.8
62.75963	0.4
62.81691	0.4
63.03160	0.4
71.01386	3.7
73.02918	0.6
78.98579	3.7
79.95734	3.3
80.96513	36.6
81.03448	0.5
85.02946	2.6
87.00860	2.4
94.98083	11.6
96.96004	0.8
97.02927	1.2
99.00840	0.8
101.02417	2.4
106.98057	2.5
118.94142	0.5
122.97562	5.0
125.02396	3.6
127.04012	0.7
134.97556	3.3
136.99072	0.5
148.99121	5.2
152.98619	9.3
164.98613	15.7
167.00130	0.6
182.99646	3.8
206.99698	3.6
212.47609	0.5
224.98572	1.0
225.00760	28.1
232.89163	0.6
243.01750	3.5
253.21751	5.9
299.04575	3.6
327.88980	0.6
509.30280	0.7
553.26904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74291	0.7
59.01380	1.0
61.98840	1.0
71.01382	4.2
78.98592	4.4
79.95725	4.3
80.96513	36.3
85.02950	1.5
87.00883	1.4
94.98069	10.7
96.95981	0.8
97.02950	1.1
97.53484	0.7
99.00850	1.0
101.02420	3.6
106.98093	1.3
117.85452	0.7
122.97577	1.6
125.02408	3.5
125.09766	1.0
127.03947	0.7
134.97568	3.4
136.99103	1.4
148.99165	7.3
151.15120	0.6
152.98634	6.7
156.37981	0.7
164.98631	17.2
171.76758	0.7
172.40768	0.7
197.11784	5.2
206.99731	5.0
225.00749	24.2
225.11330	1.1
243.12309	3.2
253.21727	4.1
268.22223	0.7
299.04376	5.0
352.93549	0.7
447.24973	0.7
553.26892	100.0
553.33954	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
71.01366	5.4
76.27594	0.8
78.98582	4.1
79.95724	4.3
80.96516	41.9
80.96992	1.4
81.03442	0.7
85.02935	1.6
87.00889	1.4
94.98075	13.5
97.02876	0.8
98.23991	0.8
101.02434	2.0
106.98064	3.2
113.15892	0.8
122.97533	3.4
125.02432	4.5
134.97552	3.7
136.99191	1.1
148.99121	5.1
152.98622	7.9
164.98657	13.1
206.99606	3.3
208.52603	0.8
225.00752	21.2
253.21692	1.9
257.32944	1.1
299.04669	6.0
553.26923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
71.01379	3.6
73.02958	0.8
78.95909	0.9
78.98583	4.2
79.95734	4.3
80.96516	44.0
85.02936	0.9
87.00863	2.2
91.04870	0.6
94.98080	10.9
96.96000	0.8
97.02929	2.1
101.02428	1.2
104.98051	0.5
106.98048	1.2
108.15033	0.5
122.97556	2.1
125.02416	3.8
127.04035	0.8
131.04625	1.0
134.97589	4.5
136.99133	1.1
148.99138	6.0
152.98630	5.9
164.98631	14.6
167.00174	0.5
188.98599	0.7
206.99695	3.8
211.77837	0.5
225.00755	22.1
299.04471	7.1
305.83401	0.6
317.05450	3.8
553.26880	100.0
561.16925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71943	0.4
59.01372	0.9
62.97543	0.4
71.01373	3.8
73.02934	0.8
75.63623	0.4
78.98598	4.4
79.95738	2.7
80.96516	35.6
81.03445	0.7
85.02934	1.9
87.00861	1.7
92.22568	0.6
94.98088	9.8
96.96004	0.7
97.02961	1.0
99.00864	0.4
101.02429	2.3
106.98077	2.6
122.97596	3.2
125.02419	2.7
125.42676	0.4
134.97603	4.6
136.99199	0.9
147.81004	0.4
148.99144	6.2
152.98654	5.5
164.98619	13.5
188.98666	0.6
197.11836	0.4
206.99759	3.0
222.67619	0.4
225.00775	21.5
253.21712	3.6
279.73843	0.5
299.04453	5.5
448.56287	0.4
472.61874	0.5
490.33334	0.5
553.26965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.98845	0.7
71.01382	4.4
73.02940	1.2
78.95892	3.8
78.98615	4.0
79.95743	4.6
80.96515	39.3
85.02939	2.4
87.00861	1.2
91.93256	0.5
94.98074	11.0
96.95997	0.5
97.02942	2.0
97.12306	0.5
99.00883	0.7
101.02436	3.1
106.98069	1.2
114.17664	0.5
122.97553	2.5
125.02424	4.0
125.09693	1.3
131.04607	2.4
134.97623	4.6
136.99080	2.2
148.99104	5.4
152.98613	6.5
164.98618	16.1
182.04047	0.7
187.09756	0.6
206.99666	3.7
225.00763	22.7
283.72772	0.6
299.04437	8.1
317.05481	4.1
419.15417	0.6
553.26880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
64.93278	0.5
71.01366	3.0
73.02951	0.5
76.91536	0.4
78.98592	4.2
79.95729	3.7
80.96513	34.9
80.96992	1.1
85.02943	2.3
87.00874	2.1
94.98077	11.2
96.95990	0.6
97.02949	0.8
99.51153	0.5
101.02454	2.1
106.98064	2.3
122.97573	2.0
125.02404	3.1
127.03982	0.5
134.97563	3.6
136.99167	0.8
148.99126	5.2
152.32585	0.5
152.98619	6.4
164.98615	13.8
167.00261	0.7
182.59868	0.5
206.99699	4.1
225.00754	23.2
230.66858	0.5
253.21831	2.7
275.19992	0.6
299.04446	5.7
359.63803	0.5
509.30002	0.7
537.36761	0.6
553.26929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2798
Annotation	Integerressine
Peak:m/z	Relative Intensity
55.35406	0.4
61.98827	1.0
78.95898	23.9
81.76890	0.5
96.96961	3.4
104.12590	0.5
141.97049	0.5
152.99585	100.0
171.00667	5.6
176.65056	0.5
261.05557	0.7
392.61606	0.5
404.78220	0.5
409.16327	13.3
411.17941	11.5
508.91840	0.6
535.27014	2.5
553.27881	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90462	0.8
55.01878	1.2
59.01386	44.0
65.03255	0.9
69.86388	1.0
71.01382	29.2
72.99296	1.5
73.02960	8.3
74.99139	1.3
75.00880	1.7
79.77847	1.0
83.01388	6.3
85.02956	10.7
87.00845	1.5
89.02442	30.7
95.01368	1.8
96.39368	1.0
99.00904	2.5
101.02443	31.7
111.00909	1.1
113.02473	14.6
119.03493	8.3
134.03831	1.1
135.98361	2.2
137.02432	2.3
138.03288	1.5
138.58963	1.0
161.04529	1.3
165.05623	4.5
175.04033	1.5
179.07088	1.4
181.05107	10.3
181.12300	8.7
185.82562	1.1
195.06650	12.3
209.08281	1.3
225.11375	10.0
297.14554	1.2
301.98987	1.1
313.40906	1.3
333.49823	1.3
345.13470	1.4
358.14331	2.4
361.12906	7.1
367.22763	1.2
376.15378	16.4
391.17636	22.6
391.23453	5.5
455.15555	1.4
519.58441	1.3
553.22485	100.0
553.29071	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2873
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
57.03427	1.0
59.01382	14.8
61.98826	0.9
71.01381	17.2
72.99297	3.8
73.02938	4.0
78.95906	3.4
83.01370	2.1
85.02956	6.5
87.00872	3.6
89.02447	9.2
91.01911	1.0
95.01411	1.7
99.00918	1.3
101.02438	17.3
105.01923	1.4
109.02921	3.3
113.02414	6.3
115.03984	1.3
119.03491	1.5
125.02425	1.1
152.99562	1.0
161.04510	1.4
165.01889	5.1
177.05617	0.9
192.11844	0.8
229.18083	21.1
263.11386	11.2
337.04080	0.9
373.22247	7.1
391.23450	47.6
491.51065	0.9
553.15009	8.5
553.28735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10532	1.0
51.74085	1.0
59.01387	12.8
60.11240	1.1
61.98839	3.1
62.79201	1.1
70.52884	1.1
71.01379	12.8
72.99302	1.8
73.02970	1.8
75.00852	1.7
83.01398	2.2
85.02973	1.7
87.00898	6.1
88.63422	1.3
89.02475	7.1
89.64137	1.2
90.69984	1.4
97.72030	1.4
101.02452	11.2
105.01928	23.7
113.02483	5.7
119.03569	1.6
124.16469	1.4
133.49709	1.3
150.03278	3.2
165.05640	5.3
170.42313	1.5
175.75703	1.4
178.02780	1.8
229.18117	18.4
233.52567	1.6
237.15103	1.9
373.22803	5.1
376.81348	1.4
378.00809	1.3
391.23468	41.0
416.78934	1.5
505.18988	7.8
534.59436	1.4
553.21942	17.2
553.29095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68290	1.4
70.44331	1.5
71.34189	1.5
77.59271	1.6
78.95905	2.3
80.96530	3.0
96.95990	2.8
159.15335	1.8
197.11861	11.2
201.05582	2.1
216.06598	2.3
225.11377	8.6
228.06770	2.1
232.09746	10.7
241.10838	2.4
243.12390	9.6
244.09738	2.8
258.11334	10.2
270.11429	2.0
271.02133	1.9
272.12927	3.2
298.14508	3.1
303.14636	2.0
312.96341	1.9
316.15549	3.5
420.95541	1.9
440.28036	23.7
466.29758	10.2
509.30225	100.0
553.26276	13.8
553.34833	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18533	1.0
54.97486	0.9
59.01361	1.4
61.88212	1.0
61.98811	1.1
63.23122	1.1
78.95892	1.9
80.99287	1.0
83.02522	1.6
85.04073	2.0
114.34814	1.3
125.09721	6.9
171.10291	1.3
181.53900	1.1
187.09724	1.5
197.11865	6.4
202.05099	1.3
230.08368	1.8
244.09833	5.4
258.11349	5.5
270.11514	1.5
272.05414	1.2
287.15347	2.5
293.89584	1.2
298.14285	1.3
300.15887	1.4
312.16006	1.3
313.17075	1.8
329.16403	1.3
340.19278	1.7
394.82510	1.4
438.26401	5.9
440.28165	30.2
456.38220	1.2
466.29678	15.3
509.30264	100.0
529.92432	1.2
553.34491	13.2
570.49792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41729	0.5
59.01382	100.0
71.01367	2.7
85.02969	0.6
89.02438	6.3
101.02451	3.2
113.02421	2.8
119.03484	4.3
128.01450	0.5
142.95523	0.5
146.70407	0.6
161.04503	0.9
161.30273	0.5
179.05641	3.5
264.22812	0.6
493.28293	5.0
553.30194	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3028
Annotation	PF1070B
Peak:m/z	Relative Intensity
50.97246	0.5
55.33107	0.6
56.48529	0.5
59.01383	100.0
61.98833	7.1
65.91621	0.7
70.84447	0.7
71.01387	5.8
73.02962	1.0
78.95908	1.4
85.02959	1.0
88.98798	0.8
89.02441	13.0
93.03474	0.7
95.01344	0.8
96.96090	0.7
101.02456	5.5
113.02434	6.3
119.03497	4.7
150.03191	1.1
152.99588	1.0
161.04568	1.3
179.05589	9.3
191.05663	1.3
224.93108	0.9
237.15038	2.8
257.46036	0.7
271.17105	0.8
289.42249	0.9
290.98877	0.7
332.39575	0.8
505.18842	3.0
553.21936	4.7
553.30304	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11430	0.6
56.58686	0.6
59.01383	100.0
62.18268	0.5
64.04230	0.6
70.78544	0.7
71.01376	4.9
73.53690	0.7
75.92715	0.7
85.05802	0.7
87.00880	2.7
89.02453	6.3
101.02435	3.0
113.02435	3.0
119.03513	3.5
143.05246	0.7
146.57921	0.7
153.91144	0.7
161.04546	1.6
179.04187	0.7
179.05627	4.9
191.05600	3.1
326.96371	0.8
330.20398	0.8
493.27887	3.2
497.36481	0.9
553.31384	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11242	4.7
59.01382	13.0
68.07454	7.0
68.89725	6.0
72.74792	5.6
78.95898	6.7
105.17274	5.5
109.67000	5.7
120.52071	5.5
152.33516	6.0
174.24501	6.1
206.69644	6.7
207.52412	5.7
255.23291	25.1
256.23712	10.9
303.29785	7.1
315.63263	6.3
553.31287	100.0
553.39319	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.317
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
56.16543	2.5
59.01115	3.5
59.01372	31.3
62.07273	2.8
67.09439	2.6
72.61048	2.6
75.66783	3.0
93.54466	3.0
108.02179	35.2
109.02941	23.9
152.01154	56.4
153.01888	13.1
255.23318	4.3
497.47379	4.0
553.30719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3158
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
50.26009	12.7
58.04044	16.0
59.01370	68.5
59.43153	15.7
101.56065	18.4
235.44521	17.9
286.25922	19.8
335.31128	24.7
553.31598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3384
Annotation	Notoginsenoside R10
Peak:m/z	Relative Intensity
51.66328	0.3
63.13418	0.2
81.74879	0.2
151.07845	0.3
205.71529	0.3
214.32501	0.3
221.21698	0.3
222.83139	0.3
255.23305	100.0
377.59305	0.4
391.28568	30.7
392.73532	0.3
472.71735	0.3
553.33844	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80404	0.8
61.98835	0.9
93.10539	0.9
123.04517	56.2
153.05574	100.0
355.90604	1.0
470.15942	1.2
553.33899	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94916	3.9
59.01385	100.0
60.23682	3.8
61.28012	3.5
69.41888	3.4
78.95874	4.0
85.84154	3.4
86.31023	3.7
89.57485	4.3
99.92565	15.9
100.93342	6.8
115.92066	23.7
116.92844	34.2
153.01921	8.5
174.81746	3.9
233.75542	4.2
238.82198	4.0
250.93532	4.4
509.20187	6.2
512.21692	4.5
535.17725	9.7
553.18921	16.3
553.34412	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33960	1.1
59.01394	1.6
68.52991	1.2
70.85272	1.6
72.82911	1.6
73.45758	1.4
77.75816	1.3
92.20786	1.4
137.09724	7.2
138.44460	1.7
152.99600	6.8
155.10799	57.2
164.67458	1.5
165.95245	1.4
171.10260	19.5
199.09770	10.9
217.10878	25.7
261.70712	1.7
273.13477	8.3
279.23309	56.7
285.20721	2.5
291.14603	15.6
325.31155	21.9
418.49664	1.6
418.72302	2.4
455.64291	1.8
553.37439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53305	0.7
59.01377	1.9
64.44912	0.7
64.70588	0.8
73.74250	0.7
135.17198	0.8
137.09729	4.9
152.99567	3.0
153.09250	3.2
155.10777	60.2
171.10275	32.4
181.08620	1.4
199.09772	10.9
215.28209	0.8
217.10826	34.6
273.13559	6.7
279.23315	54.2
291.14520	10.4
325.31183	3.3
496.83316	0.8
553.37561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45804	1.2
60.69088	1.4
67.15806	1.2
86.20795	1.2
86.21407	1.4
131.16371	1.6
137.09705	2.3
153.09125	2.0
155.09540	1.6
155.10789	48.5
161.52254	1.3
171.10275	34.4
199.09784	8.4
217.10852	23.8
217.26874	1.4
273.13556	5.8
279.23303	42.0
291.14590	6.5
297.40689	1.7
325.31183	5.5
553.37610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83036	2.7
56.58561	2.7
68.58521	2.7
87.60818	3.1
91.81528	3.0
115.13849	3.6
145.04257	3.8
157.73178	3.4
179.09315	3.4
179.10783	13.7
197.11877	59.2
255.23288	74.7
288.34946	3.7
339.32590	4.3
553.37518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52176	0.4
59.44925	0.4
66.03559	0.4
66.76627	0.5
66.83083	0.4
67.54916	0.5
69.03446	4.9
71.01392	0.4
71.05011	1.1
78.95866	0.6
97.06679	0.5
115.10683	0.5
122.03715	0.5
123.08177	1.2
125.09715	2.5
135.07927	0.5
149.09825	0.7
151.11249	6.5
153.12871	1.1
161.09732	6.9
179.10793	14.5
181.18486	0.5
181.34824	0.5
195.00653	0.5
197.11845	77.2
212.76106	0.5
223.09726	2.1
241.10747	4.4
255.23315	72.7
297.13568	0.9
315.14529	3.2
339.32654	7.5
535.34143	2.8
553.37537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27182	0.6
56.66861	0.6
59.01373	0.8
67.57363	0.6
68.29778	0.7
75.97723	0.6
78.95899	1.5
85.76630	0.7
90.86252	0.7
101.83004	0.7
152.99594	6.2
153.12727	0.9
155.09578	0.8
155.10770	6.5
158.56403	0.7
171.10258	3.4
176.77278	0.8
188.25308	0.8
197.11861	1.4
198.91458	0.7
199.13451	9.0
209.06172	3.3
215.12962	1.3
217.10760	1.7
225.05659	6.8
239.20131	1.7
253.05092	11.9
255.19705	1.1
267.19696	17.7
271.22559	0.8
279.23212	5.2
281.04593	34.7
283.19119	3.9
285.20743	100.0
315.14209	0.9
325.31122	17.1
379.28125	0.8
439.34186	1.2
553.27881	9.3
553.41949	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09605	0.6
61.74657	0.6
61.78986	0.6
66.64288	0.7
152.01180	3.1
155.10791	7.8
163.26123	0.7
168.45985	0.7
171.10294	4.1
176.65015	0.7
177.01950	1.3
183.13956	1.1
199.13400	6.4
217.10768	3.5
239.70940	0.7
246.42528	0.8
253.08727	2.6
267.19684	17.9
269.08215	16.7
269.21304	1.1
271.09793	23.8
278.14529	0.7
279.23294	6.3
281.08331	5.4
283.19193	4.7
285.20743	100.0
325.31110	1.0
336.35977	0.7
373.15121	0.7
390.28052	0.7
535.40210	3.8
553.19019	8.2
553.41595	67.3
567.95190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32933	1.2
52.16771	1.2
52.17458	1.1
52.31480	1.1
53.48971	1.1
54.50979	1.1
55.68548	1.2
59.01382	100.0
61.98860	1.3
68.94811	1.2
73.75447	1.2
87.70039	1.8
92.23121	1.4
116.92822	1.9
124.39315	1.3
139.15462	1.4
158.98685	1.3
214.14470	6.9
216.29205	1.4
269.04520	2.3
270.03448	1.4
271.09811	1.8
283.09906	1.8
493.40231	6.6
529.80756	1.5
553.15088	1.6
556.00513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67327	0.8
54.13645	0.8
56.34715	0.9
57.03460	1.1
59.01385	1.3
60.99305	4.0
63.51964	0.9
65.62526	0.8
67.01894	10.3
71.01376	2.0
81.03455	1.7
83.05035	1.5
83.15338	1.1
87.00871	23.7
90.91273	0.9
93.03452	77.0
99.00856	1.6
99.04534	1.1
111.04516	16.3
120.43186	0.9
129.01918	4.0
130.33669	1.0
150.03195	1.5
155.03519	2.1
173.04552	49.8
188.06453	1.0
218.69435	1.0
233.04797	14.2
245.63063	1.1
246.05682	1.8
247.06361	1.3
248.03514	1.4
248.07138	3.9
256.07376	2.1
261.04272	1.6
262.05051	11.2
263.05893	4.6
263.19922	1.1
272.09991	1.1
278.04565	1.9
278.08209	5.5
290.04526	1.4
291.05368	3.8
292.06104	5.0
293.07040	1.5
306.04117	11.2
306.07825	4.9
316.15549	1.4
320.05734	11.7
320.08987	1.5
321.06393	3.7
335.08093	3.9
336.08707	4.1
380.07529	1.3
554.13086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	18.9
83.05021	16.3
93.30035	1.1
111.04520	15.7
115.03992	12.2
115.55529	1.0
115.74660	1.0
116.82544	1.1
127.04005	65.4
129.05606	10.2
137.02415	2.4
155.03505	74.2
171.03014	6.5
173.04626	1.2
189.04031	6.3
192.07573	1.3
199.02499	58.5
217.03535	49.2
219.67665	1.1
235.04607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
60.40413	0.9
61.77925	0.9
62.98652	0.9
66.60219	1.0
71.01379	100.0
80.32936	1.1
82.52376	1.0
85.02935	11.4
97.02938	2.6
101.02403	1.5
103.00361	2.2
113.02443	26.9
118.01454	6.3
131.03543	1.7
139.04008	1.7
140.04869	1.2
143.31744	1.1
171.96198	1.2
209.05855	1.3
373.11371	1.4
417.10464	53.1
428.65604	1.2
464.10519	40.0
507.13574	7.0
536.12860	1.8
541.26624	1.3
554.13739	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36230	0.6
59.01369	1.1
67.01893	1.5
67.54987	0.7
69.03454	1.4
71.01345	0.9
82.34421	0.8
85.02944	4.0
89.02441	1.0
94.02988	1.2
97.02933	8.1
98.02464	15.9
99.00874	9.1
108.04552	38.1
109.02951	1.4
110.06139	1.0
111.00888	0.8
113.02443	86.3
115.04002	14.9
120.04531	1.1
121.02950	1.0
138.05592	0.9
139.29646	0.8
141.01935	1.2
152.03522	9.8
162.05574	1.1
177.70409	0.9
182.04593	5.1
184.45380	0.9
198.04074	1.1
218.04887	0.8
252.05238	8.2
282.06125	3.0
301.40131	0.8
306.06305	1.1
422.11084	2.9
440.12027	100.0
443.48596	1.0
554.14838	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.07770	1.2
60.17291	1.2
67.39769	1.4
81.70943	1.4
85.02906	1.5
103.00353	14.9
124.67374	1.5
133.05048	7.5
154.57257	1.9
169.22194	1.7
173.17009	1.8
274.08789	13.6
304.09848	6.1
309.10010	2.4
383.21976	1.8
468.16473	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79639	1.0
60.03696	1.2
67.01895	1.5
71.01350	1.3
93.03456	7.1
111.04543	5.0
119.05037	12.2
128.10837	2.1
130.08739	55.6
137.02457	5.7
155.03485	1.8
163.04008	19.7
172.09793	58.6
172.11305	1.9
173.04547	100.0
191.05644	26.1
216.08852	2.1
222.03792	1.3
294.16776	1.3
310.26831	1.2
337.09341	56.0
484.63281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68520	0.5
62.96413	0.7
78.95909	5.3
83.04941	0.6
85.02548	0.4
152.99605	1.0
168.04356	0.8
173.34085	0.5
179.00102	0.5
181.04688	0.5
186.36974	0.4
193.60468	0.5
224.06918	0.8
242.08078	1.8
279.23322	100.0
504.31082	49.5
551.78326	0.5
554.30194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22950	0.4
56.37550	0.4
59.01357	0.4
75.77056	0.4
78.95518	0.6
78.95912	8.3
88.86527	0.5
94.66216	0.5
100.42696	0.6
111.96313	0.4
152.99561	2.4
165.01993	0.8
166.02341	0.5
168.04361	2.4
177.01958	0.6
211.10228	0.5
224.06960	7.1
237.05577	0.7
238.05872	0.8
242.07965	1.1
253.05061	0.7
266.05536	0.7
266.09457	0.5
269.08200	7.8
270.08551	8.5
271.06165	15.2
272.06525	13.5
279.23322	100.0
283.06125	3.0
284.06534	3.4
462.68192	0.6
463.63794	0.6
504.31073	61.6
554.15442	20.7
554.29712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
60.24824	0.4
61.98830	100.0
66.79475	0.3
90.25203	0.4
111.22977	0.4
116.92842	0.4
134.33948	0.4
145.96216	0.5
172.60751	0.4
213.48132	0.4
238.15161	0.4
238.94824	0.4
247.32687	0.4
255.23308	2.0
256.23608	3.8
257.23911	1.0
258.24274	0.8
462.26654	0.5
554.36285	0.6
554.45032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
61.98821	1.6
75.32401	0.8
81.67809	0.8
83.89371	0.9
96.34336	0.9
97.06590	4.1
125.09717	85.3
126.09949	0.9
132.11848	0.8
152.10858	8.9
169.08717	4.3
170.11865	4.5
186.11360	30.4
196.09868	1.4
197.12968	1.1
220.10548	0.8
254.81206	1.0
261.04266	0.9
278.21225	9.0
321.21844	1.6
322.20288	22.2
339.22906	38.9
366.55508	1.0
367.22388	4.7
405.74118	1.0
433.82782	1.1
500.03870	1.0
554.34521	100.0
561.63190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27455	0.3
59.01099	0.5
59.01382	9.0
73.65968	0.3
76.78368	0.3
78.95900	2.7
92.22393	0.5
97.51367	0.4
100.02284	0.3
152.99544	1.3
168.04378	1.3
189.91765	0.3
223.06184	0.3
224.06999	0.4
242.08006	1.5
255.23311	100.0
414.43427	0.4
480.31000	47.1
554.34235	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80196	0.4
53.08014	0.5
59.01380	9.9
66.58296	0.4
67.33425	0.4
78.95906	6.1
80.64899	0.4
84.12825	0.5
114.14378	0.6
132.04276	0.5
152.99617	2.0
162.25275	0.4
168.04315	2.9
169.46840	0.6
224.06955	8.8
242.07919	1.1
255.23312	100.0
358.68948	0.5
480.31018	63.0
554.34595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22184	1.3
57.03443	6.7
59.01381	100.0
78.95903	8.2
83.01375	15.0
89.02423	1.3
89.30098	1.7
91.03996	5.9
96.06293	1.4
100.14585	2.0
101.02431	6.2
106.71628	1.3
111.74281	1.4
152.99553	1.8
157.05040	6.9
166.02219	1.8
168.04323	2.2
175.06088	29.6
180.62529	1.7
193.07164	7.7
205.74831	1.9
210.86670	1.7
224.06924	8.7
227.07336	1.8
265.05252	2.7
269.08209	11.7
270.08569	16.8
271.06104	23.1
272.06512	19.5
275.41965	1.8
277.21741	83.5
279.23303	88.9
283.06073	6.3
284.06412	6.4
305.01303	1.6
435.27585	21.1
453.28638	52.5
480.33060	2.6
495.29742	56.2
504.30994	62.3
554.15387	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32505	0.4
61.98835	0.5
63.05723	0.4
63.25042	0.5
65.26534	0.4
69.35051	0.5
74.94166	0.5
78.33838	0.6
97.06571	3.8
102.00474	0.6
102.09205	0.5
123.08173	2.0
125.09717	78.0
131.79695	0.6
139.11292	6.4
142.12383	0.9
168.10338	0.7
169.08760	3.8
180.13960	2.1
183.10245	2.4
186.11362	52.3
187.09802	0.7
198.14998	0.8
200.12932	4.2
216.50414	0.7
295.63147	0.6
305.01288	0.6
306.24466	2.8
323.23322	1.3
349.24835	2.2
350.23343	6.3
353.24515	3.6
367.26059	41.9
379.67477	0.7
554.38165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76368	1.4
83.05001	2.1
84.94958	1.0
111.08152	35.3
111.13519	1.1
125.09705	9.0
128.10852	1.3
140.26805	1.3
152.10809	1.4
167.14389	11.9
172.09814	35.5
186.11339	4.7
211.13425	27.4
228.16058	24.2
229.14436	12.7
308.18665	5.0
325.21414	27.0
335.83417	1.3
367.26132	2.8
381.27750	11.8
413.25421	1.3
434.27280	1.4
554.38123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17778	0.9
61.98823	1.0
62.98357	0.7
83.61596	0.9
95.30200	0.9
97.06575	1.4
111.08144	6.6
123.95059	1.0
125.08831	1.9
125.09721	42.6
142.07321	0.9
142.12332	1.3
152.10829	1.5
153.12834	10.9
172.09825	7.3
179.24840	1.0
186.11368	26.5
197.11838	19.7
214.14511	18.3
215.12932	6.8
278.21420	1.2
322.19946	1.7
339.22949	17.8
367.26044	20.3
554.38184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.2
60.31884	1.2
71.01376	26.4
73.02947	1.8
78.95930	10.7
78.96301	1.3
85.02959	2.9
87.00859	1.5
89.02438	76.7
93.78706	1.2
96.95996	1.4
96.96931	14.6
101.02428	21.1
113.02454	22.7
115.00394	1.7
115.04008	5.5
119.03490	36.9
131.03494	6.5
143.03494	8.4
149.04575	2.3
154.66740	1.5
158.78313	1.9
161.04601	12.0
179.05617	29.6
195.05016	1.8
197.04544	2.0
197.23178	1.5
221.06740	6.0
221.65903	1.6
235.29178	1.6
259.02332	2.2
259.55444	1.8
341.10934	45.9
366.21533	1.3
457.11667	100.0
459.60736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98940	0.4
54.06750	0.4
72.99307	17.9
75.00873	2.5
79.05545	0.7
81.03445	1.2
85.98460	0.6
91.96375	0.7
95.05020	1.0
105.03438	0.8
107.05025	2.4
108.02182	1.1
109.02948	1.2
119.72422	0.6
121.02951	5.5
122.03729	0.7
123.04518	33.2
129.01945	1.2
133.02930	6.5
151.04005	100.0
167.17496	0.6
177.01901	0.7
179.03522	3.1
195.03030	5.2
195.05124	16.3
197.04570	8.6
204.56551	0.6
209.69034	0.6
236.27319	0.7
359.09875	9.3
453.48425	0.7
555.13544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
60.88349	0.4
71.01373	0.7
72.99306	27.7
77.55597	0.5
85.15990	0.5
88.42186	0.4
89.02448	0.6
89.40210	0.4
93.03415	0.5
103.00377	0.9
103.04054	0.4
108.02191	0.6
109.02947	0.8
121.02959	2.0
123.04522	16.5
123.71880	0.4
133.02968	2.4
134.03748	1.1
135.04527	2.6
137.02464	2.8
139.03976	0.6
147.04541	0.6
151.04012	100.0
167.03456	1.1
177.01932	2.1
178.02734	5.2
179.03522	6.5
195.03008	14.6
197.04568	13.9
211.02336	0.5
213.79520	0.5
225.11395	0.9
327.11035	0.7
370.35934	0.6
393.08292	14.1
408.07788	0.5
435.21036	0.5
555.13605	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49742	2.0
56.59642	2.3
59.01379	27.2
71.01379	17.9
72.99307	12.8
83.05025	9.6
85.03005	2.5
89.02434	28.1
93.03460	3.6
101.02457	10.3
102.92814	2.7
111.04517	28.1
113.02412	6.4
115.04021	9.6
119.03524	9.9
119.04968	2.7
127.04000	65.2
127.17058	2.8
129.05553	2.6
134.03743	3.1
137.02406	3.3
150.03267	13.1
151.03995	4.4
155.03506	69.3
164.04773	3.3
165.05551	27.3
173.04478	4.1
191.05579	21.9
195.06607	5.9
198.13196	2.4
199.02490	53.6
206.37753	3.1
217.03545	100.0
345.13504	5.8
365.99338	3.0
507.18607	31.6
555.21289	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
60.88349	0.4
71.01373	0.7
72.99306	27.7
77.55597	0.5
85.15990	0.5
88.42186	0.4
89.02448	0.6
89.40210	0.4
93.03415	0.5
103.00377	0.9
103.04054	0.4
108.02191	0.6
109.02947	0.8
121.02959	2.0
123.04522	16.5
123.71880	0.4
133.02968	2.4
134.03748	1.1
135.04527	2.6
137.02464	2.8
139.03976	0.6
147.04541	0.6
151.04012	100.0
167.03456	1.1
177.01932	2.1
178.02734	5.2
179.03522	6.5
195.03008	14.6
197.04568	13.9
211.02336	0.5
213.79520	0.5
225.11395	0.9
327.11035	0.7
370.35934	0.6
393.08292	14.1
408.07788	0.5
435.21036	0.5
555.13605	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.136
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56607	0.5
72.99300	18.8
76.79324	0.6
79.05580	0.5
81.03444	1.1
88.69523	0.6
92.22533	0.7
95.04996	1.0
105.03442	1.0
107.05020	2.4
108.02164	1.5
109.02967	1.0
109.14805	0.6
121.02959	7.5
123.04517	30.7
133.02953	6.0
142.99432	0.6
146.41786	0.7
150.91341	0.6
151.04001	100.0
177.01825	0.8
179.03519	2.4
188.93385	0.7
195.02994	5.4
195.05084	4.1
197.04575	7.6
239.41997	0.7
255.04636	0.7
359.09940	10.7
464.50543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65337	0.4
55.98613	0.5
63.79856	0.5
72.99295	16.2
75.00871	0.5
79.05532	1.3
81.03457	1.3
92.23162	1.1
95.05003	2.3
105.03452	0.8
107.05032	0.9
108.02117	0.9
109.02926	1.0
121.02917	4.8
122.03716	0.7
123.04512	30.3
130.30405	0.5
133.02950	5.8
139.14171	0.6
151.04001	100.0
174.02222	0.6
177.01811	0.6
178.70793	0.5
179.03485	3.5
186.10649	0.5
195.03008	4.4
195.05106	3.1
197.04570	6.7
359.09814	8.7
399.57385	0.6
555.13385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16241	0.6
59.01381	4.4
61.13878	0.6
66.87274	0.8
70.58845	0.7
71.01376	4.5
89.02424	7.1
92.23203	1.3
101.02444	4.1
107.35302	0.7
111.23852	0.7
113.02435	1.7
119.03515	3.3
123.63248	0.7
124.04089	0.9
129.71092	0.7
133.95020	0.7
136.99146	0.8
143.75749	0.7
149.02463	1.7
151.06163	5.7
164.04785	17.5
179.07141	3.4
187.57401	0.7
190.02748	22.2
191.03703	1.2
191.05588	5.0
191.56189	0.8
197.04552	0.9
205.05077	65.6
206.05757	1.7
208.03801	1.2
221.08186	5.5
223.06126	34.6
237.07706	1.6
265.07172	14.2
295.08191	1.5
323.58722	0.8
343.11560	0.9
457.13727	3.2
519.17261	100.0
555.15088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71072	0.4
59.01382	2.7
59.34981	0.4
60.64046	0.4
71.01384	0.9
72.99311	0.9
75.00864	16.4
76.68563	0.4
78.74012	0.4
78.95933	0.6
83.01377	0.4
85.02940	2.3
87.00861	3.3
88.58859	0.5
89.02446	2.5
96.95997	1.1
96.96915	0.7
99.00858	4.6
101.02426	0.5
111.00877	0.9
118.23401	0.5
123.04473	0.7
129.01929	16.5
141.01981	0.7
151.04007	4.1
159.03006	4.4
170.11444	0.5
177.04008	3.2
179.03531	0.5
191.05673	1.5
193.06053	0.4
195.05107	100.0
197.04581	1.9
213.04166	0.6
277.09296	0.6
359.10147	0.9
555.13397	1.7
567.75519	0.6
581.98773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46305	0.5
51.22069	0.6
52.70121	0.5
54.06559	0.5
54.09012	0.5
56.15518	0.5
57.06953	0.5
58.40516	0.6
59.01379	3.4
62.96399	1.0
65.91450	0.6
71.01381	1.6
71.62178	0.6
72.99316	2.7
74.63110	0.7
75.00876	18.4
78.95915	6.2
79.78396	0.6
85.02953	1.2
86.77015	0.7
87.00880	2.5
89.02442	7.5
96.96959	7.2
99.00879	3.9
101.02462	3.2
113.02444	0.8
119.03549	1.2
129.01941	12.1
131.15071	0.6
138.66519	0.7
140.15570	0.6
159.02989	3.5
163.60019	0.7
177.04041	3.5
179.03497	1.6
179.05583	1.6
193.41800	0.7
195.05121	100.0
197.04544	12.6
199.31715	0.8
279.50607	0.6
283.39691	0.7
341.10962	1.1
359.09882	5.4
421.56268	0.8
424.21378	0.7
457.07339	3.3
457.12582	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.6
59.12674	6.1
60.14559	5.5
64.94045	7.5
71.01373	31.6
72.99287	6.7
73.02950	12.3
78.82031	5.8
79.52744	7.8
85.02956	14.3
89.02412	11.7
101.02441	31.7
113.02422	6.9
134.03763	11.9
138.53975	6.8
143.09163	6.2
152.99632	12.7
161.04626	9.3
165.05569	11.7
187.82625	7.5
191.05609	13.7
193.04988	9.9
200.38029	6.4
253.73291	7.6
276.65540	8.1
305.49384	7.5
327.21872	8.2
333.20749	34.1
400.45374	7.5
495.25903	43.9
555.17035	16.6
555.18451	16.5
555.26385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1645
Annotation	Claussequinone-(4->5')-vestitol
Peak:m/z	Relative Intensity
50.40541	12.7
55.06083	12.7
59.01371	29.6
65.14275	12.7
67.87916	13.8
68.85808	13.4
71.27522	12.5
87.53132	12.7
89.16214	14.2
96.96007	19.1
100.59415	12.2
100.84527	13.7
103.93816	13.4
105.56668	16.3
133.20816	14.6
139.21054	14.2
140.77954	14.0
151.04015	18.0
213.73489	16.3
220.19652	15.4
240.44514	19.3
293.94171	16.8
296.76141	20.1
387.89307	16.3
555.16827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.167
Annotation	Claussequinone-(4->5')-vestitol
Peak:m/z	Relative Intensity
51.76646	0.6
61.98835	0.7
78.95898	1.3
84.46899	0.7
92.78310	0.6
106.24438	0.7
118.12669	0.7
125.02443	1.1
136.05299	1.1
139.04025	6.5
151.00403	0.9
151.04018	9.9
153.10648	0.6
163.00316	1.3
165.01901	3.0
167.56741	0.7
169.33426	0.6
171.08128	0.8
173.06055	3.6
177.01910	6.6
180.43027	0.7
197.06181	0.8
225.48116	0.8
227.10794	25.8
237.05626	6.1
239.07138	1.5
243.06502	0.8
253.05099	5.5
253.08826	0.9
255.06523	0.8
257.08099	1.0
265.05142	5.7
271.06143	86.0
271.09753	100.0
283.06140	24.2
283.09756	64.8
283.12357	0.9
286.11633	0.9
299.33408	0.8
555.16656	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33710	1.0
51.71119	0.8
54.28421	0.8
59.01381	10.5
61.10913	1.0
63.31253	0.9
66.98747	1.0
71.01381	4.7
72.99306	54.0
82.39111	1.0
89.02452	7.3
101.02452	4.2
113.02457	1.4
119.03500	2.1
123.04509	27.0
126.35111	1.1
135.04517	31.4
146.91969	1.0
151.03996	1.4
162.03221	12.5
177.05577	47.5
179.03500	45.2
179.05652	1.6
197.04565	100.0
289.91107	1.1
357.11896	16.4
358.13547	1.0
379.28418	1.2
505.88144	1.4
507.88342	1.2
555.18787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21614	0.5
50.42396	0.6
50.89172	0.5
52.15555	0.6
59.01368	1.2
63.17598	0.6
68.78083	0.7
71.01363	1.1
72.99303	90.6
73.58629	1.0
73.59042	0.7
85.02964	1.3
97.02925	3.1
109.02890	1.0
115.03997	8.2
123.04514	28.7
134.03708	1.2
135.04523	39.4
149.02411	0.7
149.51138	0.9
151.03984	1.6
153.05586	1.3
179.03506	88.7
188.83733	0.8
197.04570	100.0
239.05533	0.8
341.08835	3.0
359.09900	11.9
367.52853	0.8
393.26324	0.9
439.12582	7.9
457.13605	41.3
502.28751	0.8
555.17261	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.7
70.76263	1.2
72.99305	62.5
101.20575	1.7
103.65997	1.5
113.36372	1.6
122.41464	1.5
123.04510	26.1
130.31178	1.6
135.04521	26.2
138.55261	1.4
151.04031	8.3
179.03502	51.4
195.06702	2.7
197.04572	100.0
236.50073	1.5
299.69400	1.6
315.01062	1.6
331.75754	1.5
357.12000	12.8
510.75372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1878
Annotation	CHEBI:67625
Peak:m/z	Relative Intensity
54.53756	1.6
58.63514	1.7
59.01377	4.5
61.38660	1.9
62.79445	1.7
65.14600	1.7
71.01389	2.6
89.02431	2.3
92.22521	4.2
93.03460	3.3
103.95471	2.3
107.66480	1.8
122.03728	4.4
134.03745	61.0
142.97789	1.9
149.02390	18.1
149.06064	13.0
150.03217	72.6
164.04803	15.9
165.05562	100.0
175.04028	10.7
180.04286	8.1
186.22398	2.0
192.04356	2.7
193.05063	85.6
195.06657	29.7
196.03740	7.5
295.06125	20.5
297.07623	4.9
298.08380	4.4
299.05573	15.7
310.08435	4.1
311.05786	16.0
311.09113	2.2
313.07220	14.0
313.10468	2.6
314.08170	16.5
326.08017	2.6
328.09308	2.5
329.10291	23.1
333.20404	3.6
341.10248	28.1
381.98883	2.3
410.81216	2.5
462.13434	3.7
477.15521	7.8
507.16626	30.0
525.17773	8.1
555.19501	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24353	0.9
51.84829	0.9
54.38894	0.9
59.01380	46.1
64.27674	0.9
71.01379	27.6
72.99294	2.1
74.55552	1.0
75.00871	1.0
85.02961	5.1
89.02437	59.0
97.02932	9.7
101.02442	24.6
111.04501	1.5
113.02460	17.7
119.03490	23.8
123.04510	1.8
129.01912	1.1
151.04053	10.5
173.04587	4.6
179.03667	1.3
179.05669	4.9
188.94684	1.2
195.05086	7.9
201.61314	1.6
277.09317	100.0
328.87515	1.2
416.94470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.9
71.01379	41.9
72.99293	1.3
73.02948	3.2
75.30668	1.2
76.23719	1.2
81.65932	1.2
85.02943	2.7
87.00884	1.5
89.02441	83.5
97.02918	9.7
99.04562	1.5
101.02438	34.0
113.02443	21.0
115.03990	11.5
119.03494	21.5
119.44198	1.4
143.03468	1.6
147.37473	1.3
161.04544	3.1
179.05615	17.4
191.05577	3.3
215.03079	1.3
277.09314	100.0
430.37946	1.5
460.46222	1.4
522.82239	1.4
555.18616	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92190	1.1
56.00971	1.1
56.21489	1.2
59.01381	13.8
61.75487	1.1
69.10908	1.2
69.16948	1.2
69.26691	1.3
71.01056	1.1
71.01373	11.4
73.02962	2.2
75.03161	1.2
85.02941	29.6
89.02438	12.1
90.53893	1.3
101.02428	10.4
102.39993	1.3
108.88493	1.4
113.02423	6.7
116.92862	1.4
117.73204	1.3
119.03480	2.1
120.86779	1.5
134.03735	39.7
137.02466	1.9
147.04469	5.1
149.06084	28.9
150.03209	1.5
151.03937	1.8
161.04512	2.0
163.03949	2.5
165.05484	2.9
178.02724	31.9
188.08443	6.5
191.05669	2.4
193.05063	100.0
195.06616	2.0
232.07410	12.6
247.09714	39.8
263.11334	8.5
291.08777	68.3
332.10663	1.5
388.38089	1.7
495.24396	1.8
555.20996	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
66.04634	0.6
71.01367	1.4
73.02959	0.6
84.14393	0.6
88.07603	0.6
89.02446	6.4
97.92419	0.7
99.00900	4.7
101.02429	3.0
113.02454	3.6
113.03589	1.4
114.01926	1.2
117.03463	5.5
119.03492	1.2
131.03445	1.0
131.04605	3.3
134.03741	87.9
149.06079	15.2
158.49937	0.6
160.01685	8.9
161.38585	0.7
167.34821	0.7
175.04005	14.7
175.37068	0.6
178.02599	2.4
185.00667	0.6
191.05727	1.0
193.05072	100.0
201.32645	0.8
210.88344	0.7
237.53426	0.7
317.71091	0.7
361.15054	1.6
379.16229	0.7
555.20911	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59019	1.4
58.90548	1.5
59.01376	10.0
60.74992	1.3
66.07167	1.4
71.01377	10.6
73.02934	3.0
83.01389	1.8
85.02950	26.1
86.26572	1.7
89.02439	7.8
96.94548	1.7
101.02451	7.6
113.02445	3.5
115.03951	2.7
117.03468	1.5
119.03516	1.5
124.59999	1.4
134.03732	43.4
137.02403	2.3
147.04553	2.2
149.06070	29.6
151.04121	2.0
161.04552	1.9
163.03943	1.7
165.49988	1.8
178.02711	30.0
188.08412	2.6
191.05612	2.4
192.06720	2.3
193.05070	100.0
232.07382	15.2
247.02594	3.0
247.09782	44.7
249.49449	1.5
263.11456	10.0
291.08771	73.5
409.64459	1.5
485.54105	1.5
495.23990	1.7
555.13745	6.4
555.22516	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.9
60.05882	0.8
67.65349	0.8
70.45133	0.8
71.01380	12.7
72.39110	0.9
72.87189	0.8
73.02953	3.8
83.01410	1.0
85.02945	32.7
87.00880	0.8
99.00878	1.0
101.02451	9.3
101.06066	1.9
101.54540	0.8
111.00983	0.9
113.02451	7.0
116.92818	0.9
134.02708	1.7
134.03743	44.0
137.02487	1.8
147.04500	4.3
149.06075	26.3
151.03972	1.0
161.04539	4.5
165.05574	3.5
175.04037	2.2
178.02719	36.7
188.08435	4.8
193.05075	100.0
197.04660	1.2
203.10634	1.1
232.07433	18.3
247.09792	48.4
263.11331	7.6
291.08777	66.1
417.15845	1.2
519.17444	1.0
550.61774	0.9
555.19489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2243
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
75.03596	1.4
93.80482	1.5
108.54610	1.4
115.73157	1.5
121.02908	2.3
133.02974	3.2
149.02449	43.4
150.03230	68.2
164.04781	22.6
165.05562	87.2
180.04277	6.6
195.06660	23.9
269.11682	1.6
273.95737	1.5
297.11270	11.8
298.12390	2.0
311.09363	3.0
311.12732	2.3
314.11600	8.8
315.12375	2.2
325.10934	2.3
326.11572	7.5
329.14023	14.3
341.13971	6.4
348.42087	1.5
431.15170	9.4
433.16461	8.0
458.81458	1.5
461.16177	6.7
462.16895	11.3
477.18961	13.6
489.19604	2.0
492.17795	5.9
507.20282	100.0
555.22333	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07073	1.2
56.67303	1.3
61.40838	1.5
64.76583	1.4
92.22446	1.7
95.55846	1.4
121.02981	2.1
122.03742	3.7
123.04548	2.4
133.02919	14.4
134.03723	1.8
135.04524	2.3
136.05202	1.7
139.50844	1.6
143.28662	1.5
147.04492	13.7
148.05293	6.5
149.02434	15.8
149.06085	10.9
150.03220	83.9
159.04491	3.1
160.05307	8.6
161.06087	2.9
163.04012	6.9
164.04800	18.0
165.05568	79.7
173.06110	2.6
174.06827	3.3
175.07631	23.8
176.04802	14.7
177.05576	19.1
178.06343	20.6
180.04228	5.9
191.07291	1.7
192.07971	16.2
193.08681	3.4
195.06635	18.3
208.58377	1.7
255.06419	1.6
270.09000	8.0
284.10559	3.4
285.11194	2.0
296.10568	1.6
299.12811	2.0
329.13971	35.3
334.70462	1.7
420.24136	1.6
429.13370	1.9
432.15802	7.3
447.18082	11.3
459.18121	6.8
462.17084	2.4
473.15976	1.6
477.19263	100.0
507.20322	11.9
525.21362	79.0
555.22217	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01203	0.9
53.51825	0.8
58.97816	1.1
59.01385	100.0
59.96150	0.9
61.98822	2.0
63.84073	0.9
67.13724	0.9
71.01393	6.9
73.02948	1.1
76.34971	1.0
81.28957	0.9
83.01391	1.4
85.02957	1.2
89.02441	9.4
99.00838	1.3
100.65201	1.2
101.02457	8.8
101.75450	1.0
104.21326	1.2
110.95742	1.0
111.88323	0.8
113.02425	4.6
119.03516	1.5
121.44054	1.1
124.83195	1.0
149.04527	1.3
159.11688	1.9
161.13380	10.2
181.59219	1.0
187.09792	2.5
187.11293	31.4
193.05080	1.5
204.96317	1.0
205.12337	17.8
233.24586	1.1
248.77007	1.2
263.11386	11.1
309.06033	1.8
333.20935	4.6
339.10645	1.6
342.17960	1.5
451.23489	23.3
459.13983	1.4
461.08316	1.2
495.21985	11.5
525.21393	2.0
555.24542	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.0
61.40945	0.5
61.98818	1.2
65.57278	0.6
66.17931	0.5
71.01373	8.4
73.02927	0.9
83.01379	0.7
85.02929	2.8
87.00848	0.8
89.02444	6.6
99.04569	0.7
101.02439	7.2
107.05005	0.7
113.02431	5.6
115.74770	0.6
118.15771	0.6
119.03487	1.3
119.04901	0.6
127.03944	0.8
127.45045	0.6
135.08070	0.8
146.59914	0.6
161.04527	2.9
161.09688	1.3
161.13368	9.2
179.10747	0.6
187.09770	2.0
187.11293	19.5
189.09250	0.6
205.12357	16.5
217.10884	0.8
249.11395	0.9
263.11414	9.7
333.20792	0.8
336.08609	0.6
337.08371	0.8
451.23608	18.6
495.22229	15.9
495.28931	0.9
555.24451	46.0
555.30927	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25954	0.7
55.01864	0.7
57.03446	0.9
59.01378	18.2
66.86057	0.7
71.01379	19.6
73.02941	11.3
78.65720	0.7
78.95914	4.7
81.03463	1.1
83.01382	1.1
84.60558	0.7
85.02941	9.6
87.00867	1.6
89.02439	11.7
97.02930	1.6
99.00876	8.7
101.02437	36.5
101.03083	1.4
107.05108	1.0
113.02430	12.1
118.42548	0.7
119.03475	1.2
125.02473	3.7
131.03522	4.0
143.03540	2.0
147.88560	1.1
150.03236	9.0
152.99602	2.0
159.03029	4.0
161.04544	9.3
165.05565	13.3
175.04034	1.9
180.04234	0.9
195.06725	5.6
225.76332	1.0
291.18188	20.2
314.11731	0.9
329.14212	1.4
333.20731	17.5
423.22534	10.8
495.26212	1.8
507.20410	1.7
555.26788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.0
71.01385	26.1
89.02426	46.8
92.22543	2.4
99.78416	1.8
101.02406	15.7
113.02459	12.2
119.03474	19.5
121.77903	2.3
161.04529	4.8
162.08853	2.0
179.05638	41.8
197.72816	2.2
204.42076	2.2
287.20215	11.5
315.19730	17.4
333.20773	100.0
342.07147	2.2
347.22217	2.3
375.21970	3.8
402.14722	2.1
553.08752	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
59.00746	0.6
59.01383	25.8
67.47187	0.8
71.01377	23.5
71.01727	1.3
73.02939	12.9
75.00895	0.9
78.59714	0.7
78.95898	5.5
83.01403	3.9
85.02953	11.5
85.03427	0.8
87.00850	1.2
89.02440	17.1
99.00868	10.4
101.02441	39.6
103.37764	0.7
109.02826	0.8
113.02435	14.9
119.03545	3.6
122.02743	0.7
122.03776	1.0
125.02474	1.7
129.01961	1.0
131.03514	1.8
134.03773	3.0
143.03452	1.2
149.02466	3.8
150.03226	32.6
152.99651	1.8
160.01604	7.8
161.04550	12.5
161.05562	0.7
164.04868	3.4
165.05560	50.7
171.00670	0.9
175.04028	15.7
179.05759	1.2
180.04329	1.6
189.79573	0.9
191.05641	1.3
193.05141	3.7
195.06645	22.7
195.08305	1.1
233.06711	1.1
287.20529	1.0
291.06424	0.8
291.18173	19.0
299.09290	1.4
311.09317	2.7
314.11850	5.1
315.19678	5.8
326.11905	1.2
329.13934	8.4
333.20758	87.8
341.14191	5.9
375.22046	3.2
423.22519	8.7
462.17151	0.8
477.19562	1.4
495.26208	1.4
507.20581	5.0
555.27020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22623	0.5
71.01373	3.6
73.02931	1.1
73.71449	0.5
78.98595	3.8
79.95741	3.2
80.09164	0.5
80.96510	32.9
81.03485	0.7
85.02945	1.0
87.00848	1.0
94.98075	9.8
96.86658	0.5
96.96056	0.7
97.02966	0.7
101.02422	0.9
103.40829	0.6
106.98078	2.3
122.97578	3.3
125.02441	3.9
127.04041	0.6
134.97566	3.6
136.99107	0.9
148.99133	5.4
152.98611	8.3
164.98637	12.6
182.99532	0.6
206.99698	2.5
225.00746	20.7
243.01807	0.9
255.23322	3.2
262.05359	0.5
299.04391	4.5
384.86829	0.6
452.06256	0.6
555.28491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.6
73.02939	0.9
78.98597	2.9
79.95734	3.3
80.96513	31.7
85.02917	1.7
87.00879	1.9
94.98074	10.6
97.02955	1.1
101.02439	3.5
106.98087	0.9
122.97589	3.8
125.02444	2.8
127.04053	0.6
134.97566	3.8
136.99132	0.9
148.99156	5.2
152.98616	9.4
164.98604	14.6
182.99663	2.6
206.99652	4.7
225.00760	27.4
243.01741	2.3
255.23296	4.9
272.26859	0.5
299.04526	3.6
509.92053	0.5
522.74359	0.5
555.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03144	0.4
61.21770	0.4
71.01362	2.3
72.60074	0.4
78.98582	2.9
79.95753	2.9
80.96513	31.5
81.03453	0.5
85.02940	1.0
87.00854	2.6
94.98083	9.2
97.02950	1.0
99.00900	0.5
101.02435	2.7
106.98091	2.6
122.97558	3.9
124.08220	0.5
125.02432	3.1
127.04002	0.7
134.97562	3.9
136.99149	0.7
148.99120	5.2
152.98640	7.4
164.98619	12.8
167.00220	0.6
182.99684	3.2
206.99728	4.6
222.30212	0.5
225.00751	26.2
243.01807	2.4
255.23378	4.5
271.02234	0.5
299.04260	4.0
318.72290	0.5
369.69388	0.5
555.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.19204	0.4
71.01378	4.2
73.02917	0.8
78.98578	2.6
79.95736	2.8
80.96514	33.0
85.02954	0.9
87.00856	2.0
92.23143	0.8
94.98060	8.9
97.02927	0.8
97.36392	0.4
100.47475	0.5
101.02406	1.0
106.98061	1.9
122.97563	2.2
125.02441	2.3
134.97569	2.6
136.99153	2.0
140.09476	0.5
140.67651	0.5
148.99147	5.1
152.98636	6.5
157.64189	0.5
164.98625	12.4
167.00212	0.5
206.99730	2.4
221.51498	0.4
225.00746	19.8
255.23163	3.5
288.14780	0.4
299.04398	4.3
330.23297	0.5
555.28491	100.0
566.28094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06697	0.4
53.73801	0.4
53.98050	0.4
62.96418	1.1
71.01377	4.0
73.02946	0.9
78.95895	4.2
78.98591	3.8
79.73395	0.4
79.95740	3.1
80.96516	37.5
81.03469	0.8
85.02955	2.1
86.11819	0.5
86.46726	0.5
87.00867	2.8
94.98082	10.0
96.95985	0.7
97.02950	1.0
101.02454	2.4
101.48328	0.5
105.25346	0.5
106.98079	2.0
122.97568	2.5
125.02417	3.4
127.04038	0.6
134.97562	4.6
136.99179	1.0
148.99146	6.9
152.98610	8.1
164.98627	14.5
167.00226	0.7
206.99684	4.0
225.00772	23.3
255.23384	2.9
299.04507	5.6
555.28510	100.0
566.33722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19055	0.6
54.19807	0.6
59.01373	1.3
62.96412	6.2
63.05445	0.8
65.97959	0.7
71.01369	4.5
73.02953	1.4
78.95905	16.7
78.98586	3.8
80.96513	34.9
85.02937	1.2
94.97549	1.0
94.98080	11.7
101.02455	1.6
106.98058	1.3
122.97558	1.8
124.90097	0.7
125.02409	1.7
133.03030	0.7
134.97592	4.1
136.99147	1.5
148.99164	5.3
152.98619	6.0
164.98613	14.3
188.98657	1.0
203.97249	0.7
206.99678	3.5
225.00761	22.4
255.23419	1.5
299.04462	5.3
356.66095	1.0
498.62326	1.0
555.28467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17063	0.3
59.01127	0.3
59.01367	2.8
71.01386	3.3
73.02950	1.9
83.01403	0.5
85.02954	1.6
86.30482	0.4
89.02433	0.9
93.03420	0.4
96.40010	0.4
99.00898	0.7
99.08156	21.0
101.02444	4.8
107.18568	0.4
113.02449	2.6
121.06448	0.4
127.07679	0.4
145.02977	1.7
145.08705	100.0
158.62708	0.5
161.04573	0.9
163.04034	1.6
178.34335	0.4
197.56520	0.5
277.16629	3.6
409.15298	2.1
409.20798	24.3
426.01517	0.5
555.22900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31382	0.6
57.50090	0.8
59.01384	73.4
67.59076	0.7
71.01383	4.9
75.36608	0.9
80.96526	5.7
85.02952	1.6
86.00474	0.8
89.02456	1.5
91.43365	0.7
92.86362	0.8
94.98087	0.9
101.02434	4.4
115.04013	2.0
138.38730	0.8
145.52942	0.8
152.27966	0.9
152.98540	1.1
164.98650	1.5
186.80243	0.8
225.00821	3.6
249.18625	100.0
263.11438	5.2
277.21628	1.4
495.29831	1.4
555.28076	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.318
Annotation	Turnagainolide A
Peak:m/z	Relative Intensity
51.03629	0.4
51.75463	0.5
54.80948	0.5
59.01382	100.0
60.01038	0.5
61.98814	0.7
67.12927	0.5
70.29871	0.5
71.01370	3.7
73.02944	1.0
85.02946	1.4
89.02393	0.6
90.40273	0.5
95.07394	0.5
101.02420	3.9
113.02425	1.1
121.21957	0.6
126.12946	0.5
145.26866	0.6
161.04497	1.0
233.48424	0.6
269.79477	0.6
333.24493	1.1
467.98969	0.7
484.41916	0.7
495.29651	15.2
555.24438	0.6
555.32245	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3182
Annotation	Turnagainolide A
Peak:m/z	Relative Intensity
59.01385	100.0
59.50370	0.4
71.01039	0.4
71.01375	3.6
85.02957	0.7
89.02435	6.2
95.01389	0.6
95.51971	0.5
101.02431	3.6
113.02444	2.2
119.03523	2.5
123.60371	0.4
127.11086	0.5
132.11171	0.5
134.80722	0.5
143.03444	0.6
161.04622	1.8
161.13399	1.9
168.12712	0.4
179.05579	3.1
187.11322	3.1
205.12402	2.9
217.10910	0.5
246.62408	0.6
263.11496	1.7
419.53253	0.5
451.23184	3.0
495.30115	3.8
555.24786	7.2
555.32123	8.6
557.48071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88792	0.7
97.06588	1.0
123.08112	0.8
125.08280	0.7
125.09715	24.4
132.89967	1.0
139.11258	1.4
152.10829	3.9
153.12833	9.5
153.32933	0.7
156.10303	1.1
169.08730	0.9
170.11868	35.2
184.13426	4.2
186.11359	21.1
197.11816	16.1
208.70387	0.8
214.14510	12.7
215.12920	8.4
271.13751	0.8
278.21210	4.3
306.24371	4.2
322.20239	15.4
340.21289	24.8
350.23358	14.2
354.22934	1.8
368.24493	25.2
424.02374	0.8
555.36517	100.0
572.81604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15210	0.7
54.58994	0.7
89.58748	0.9
99.00880	37.2
106.83745	1.1
108.35331	0.8
117.12849	0.9
125.09720	9.7
163.11259	4.4
173.73514	0.9
181.12366	12.7
197.11861	1.6
198.12041	1.1
199.13434	7.5
207.10280	24.2
225.11348	55.9
243.12375	20.8
255.23306	52.0
299.14926	3.8
317.16193	6.3
485.55600	1.1
546.11298	1.0
555.39081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15281	1.1
57.03420	1.5
59.01366	1.7
70.09454	1.3
70.59773	1.3
71.05025	1.6
83.79225	1.3
99.00874	15.3
101.02041	1.5
125.09726	11.3
127.90070	1.4
160.46922	1.5
163.11243	15.1
164.77580	1.7
181.12329	28.3
199.13434	10.7
207.10286	28.1
212.14487	1.6
217.59161	1.5
222.06038	1.4
225.11330	46.2
243.12370	18.2
255.20828	2.4
255.23315	53.4
299.14905	2.1
317.16061	6.3
555.39069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53646	3.3
75.70476	4.6
135.95517	5.1
214.34151	4.7
220.80467	5.6
275.20139	11.6
277.21655	9.7
279.23270	100.0
409.09796	4.9
411.13562	5.2
420.44412	5.7
555.44019	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11173	0.6
56.24855	0.6
59.01348	0.6
69.34784	0.6
74.02473	12.2
82.02967	0.7
84.19656	0.7
86.06112	1.0
87.81939	0.6
96.04549	9.8
98.02474	3.5
110.02466	4.9
111.00885	0.8
112.04020	10.8
120.79829	0.7
135.04477	1.3
140.03535	18.0
156.03030	100.0
158.04541	1.0
161.02499	0.8
165.05858	0.8
173.04546	3.8
179.03487	3.8
184.02516	50.7
191.05641	5.5
202.03601	89.9
353.08826	4.2
361.54587	1.0
556.17224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10365	0.3
59.01379	8.3
60.01711	1.0
61.01799	1.1
61.98832	100.0
63.38010	0.5
67.81873	0.5
75.26524	0.5
89.02449	0.6
107.08727	0.5
153.91432	0.5
260.35535	0.6
460.27594	0.5
496.26553	0.5
537.81482	0.6
556.31097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80452	1.6
59.01374	10.5
59.40016	1.6
64.90400	1.7
66.55188	1.9
84.91914	1.8
85.04072	2.8
93.03456	2.1
96.00913	4.5
98.02464	17.3
99.32822	1.9
109.01686	4.4
114.01952	3.1
130.08722	59.3
134.68526	2.2
136.02544	2.1
138.09245	29.7
139.08803	5.0
140.07124	7.2
142.06642	20.6
143.06142	19.8
156.06680	2.6
166.08736	31.0
168.10294	2.9
178.11176	3.4
200.21869	2.1
214.09904	29.1
225.16026	15.2
233.16669	3.0
235.18173	22.9
236.16537	2.4
243.17029	3.0
261.16074	22.4
279.17227	15.7
323.16159	37.8
334.03494	3.8
364.08295	12.5
386.02264	2.2
538.26758	70.0
556.14795	3.4
556.27759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.1
62.25375	1.3
62.91199	1.3
71.01374	1.8
71.14802	1.2
74.23175	1.3
74.26120	1.2
74.70990	1.5
78.98578	1.5
80.27397	1.5
80.59763	1.3
80.96518	17.6
88.37189	1.4
89.02469	1.9
94.98103	2.0
101.02491	1.9
104.63929	1.5
112.89185	1.6
122.97542	1.9
148.99130	2.9
152.98613	2.4
164.98648	5.8
176.49246	1.4
225.00769	7.5
253.09323	11.0
277.21753	100.0
483.26541	1.6
513.30579	5.8
556.28833	58.8
561.27704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.98824	1.7
65.08775	0.9
71.01376	1.7
72.27789	0.9
78.65652	0.9
89.02480	1.1
97.29747	0.9
101.02419	3.7
110.51881	0.9
113.02435	1.0
113.03575	4.9
114.01994	2.0
130.05098	1.1
131.04617	12.1
132.71469	1.2
161.04587	1.2
174.04097	1.8
203.06818	1.4
253.09335	14.0
277.21744	100.0
286.51303	1.1
296.56818	1.0
308.56030	1.1
513.30975	4.2
556.31586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41791	0.7
59.01408	0.7
61.98837	6.5
78.95896	6.7
81.83011	0.7
89.56558	0.8
98.62402	0.8
140.80809	0.7
150.66228	0.8
152.99634	1.1
168.04321	1.8
176.78990	0.9
191.24033	0.7
224.06987	7.1
242.08003	1.3
281.24896	100.0
361.65057	0.8
506.32602	52.7
556.31561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44995	0.9
57.03460	4.7
59.01383	100.0
60.12479	1.1
78.19511	1.1
78.62532	1.2
78.95908	5.3
83.01385	16.7
84.52273	1.1
91.04019	2.2
93.64517	1.1
94.28842	1.1
101.02425	6.4
157.05057	6.3
158.77318	1.4
175.06117	24.4
193.07239	4.8
224.06831	1.9
279.23306	96.4
281.24887	21.5
437.29126	19.0
451.71408	1.5
455.30225	46.0
455.36523	1.7
482.34839	4.7
497.31253	55.9
506.32541	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81397	0.4
65.85836	0.4
85.01118	0.4
92.22567	0.7
97.06557	0.6
106.03281	0.4
125.09717	24.5
139.11310	0.5
142.12335	0.8
142.21754	0.4
147.90717	0.4
169.08759	0.8
170.11887	2.3
183.10457	0.5
186.11365	100.0
198.14888	3.8
200.12958	10.1
339.22833	0.8
347.42410	0.4
357.24100	5.4
371.25806	0.6
413.46286	0.5
514.85675	0.5
556.39960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
111.08148	2.2
121.64523	0.3
142.12384	0.7
153.09129	0.4
153.12860	8.2
155.96481	0.3
163.20171	0.4
170.11865	8.5
172.09810	10.3
186.11383	0.5
196.13435	1.6
197.11830	16.3
214.14499	100.0
215.12872	5.8
302.21359	0.4
343.22403	0.4
367.26102	0.8
385.27261	6.3
416.38638	0.4
556.39819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16349	1.1
63.80209	1.2
71.01373	7.0
72.99294	3.6
80.71297	1.3
80.85813	1.3
85.02983	1.3
92.23087	2.8
93.26536	1.6
97.02904	3.4
99.92576	37.1
100.93356	81.3
115.03967	9.9
115.92068	84.3
116.92857	28.0
123.04510	9.1
126.94860	1.9
137.02495	1.7
138.76306	1.3
138.98920	1.6
141.76817	1.4
142.94400	3.5
149.02437	27.0
151.03996	67.7
152.96533	1.8
154.94377	2.0
164.04805	3.3
168.95953	3.4
170.93863	6.2
184.95491	1.8
190.02650	7.9
196.69148	1.6
196.95445	3.6
197.96222	5.7
198.97212	2.2
204.95891	7.0
205.05074	21.9
205.96738	7.1
206.97504	6.2
208.95364	1.8
218.97565	12.3
220.95651	1.6
221.08003	1.9
223.06168	11.9
226.96516	14.2
232.95477	46.6
233.96271	38.0
234.97063	54.9
235.97824	14.2
259.97906	2.2
260.98636	3.1
265.07138	3.6
313.09595	1.9
322.70279	2.1
325.00253	26.7
332.00159	1.7
361.00162	3.7
379.01285	14.3
379.18365	1.7
476.36716	1.6
477.04965	83.9
495.06036	100.0
519.17120	26.9
521.03778	5.7
521.18225	2.1
557.06042	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14990	2.2
71.01377	4.2
72.48524	2.1
96.96967	2.6
99.04537	3.0
99.92583	40.4
100.92731	3.9
100.93356	77.1
115.00372	10.2
115.03989	10.5
115.92072	94.3
116.92866	33.6
123.04514	4.0
126.88531	2.6
128.92851	2.7
142.94421	5.1
149.02457	31.2
151.04002	61.6
154.94493	2.6
168.95963	11.9
170.93860	3.6
196.95447	3.0
197.96315	4.5
204.95976	3.9
206.97511	2.5
218.97554	16.5
226.96515	18.9
230.27544	2.4
232.95511	39.7
233.96243	37.3
234.15051	2.3
234.97043	56.2
235.97914	10.2
259.97879	3.3
262.96445	4.3
287.97449	2.9
311.33881	2.4
325.00168	27.2
361.83655	2.9
379.01251	13.8
459.13974	5.3
477.05054	86.3
495.06134	100.0
557.06097	84.0
557.29156	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50518	0.4
54.83948	0.4
54.96508	0.4
56.75541	0.4
57.12389	0.3
59.01373	1.0
69.03451	12.0
71.01369	4.2
72.99285	1.0
75.00871	0.5
78.53025	0.4
79.01889	0.4
85.02964	1.8
87.00847	2.6
89.02453	0.8
97.02938	21.6
101.02425	0.4
104.56371	0.4
113.02457	0.9
115.00361	3.1
115.92107	0.6
116.74051	0.4
123.00822	0.5
129.01936	1.8
141.01926	7.1
148.32295	0.5
151.04045	0.7
159.02972	0.6
159.10274	2.2
163.03958	0.5
168.75316	0.5
173.04581	0.6
179.03542	1.0
203.01994	100.0
230.40279	0.4
397.13440	0.8
425.47958	0.7
459.15521	0.6
495.05441	0.8
507.44937	0.5
557.06134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89107	0.5
51.65919	0.5
54.32428	0.6
62.90915	0.6
68.50070	0.7
69.03461	12.4
71.01383	4.9
72.99290	1.0
85.02937	1.2
87.00869	1.5
88.58057	0.6
92.64845	0.7
94.27135	0.7
97.02943	23.6
113.02408	0.8
115.00414	2.5
120.73966	0.7
125.96658	0.8
141.01970	7.3
146.97668	0.7
150.95946	0.7
161.02477	1.0
166.38116	0.7
185.18369	0.7
189.08777	1.2
190.02748	0.9
203.01997	100.0
205.05185	4.6
215.07149	0.8
243.28632	0.7
265.07294	1.0
304.30014	0.8
459.15491	1.1
519.17548	5.5
521.17761	1.3
557.15057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12032	0.9
58.98134	0.9
59.01385	11.9
64.82137	0.9
71.01373	6.1
74.47150	1.0
88.80727	0.9
89.02425	8.0
101.02424	6.3
109.03006	1.1
111.04490	1.1
113.02444	4.8
119.03484	2.4
119.04951	1.8
135.04509	8.3
149.02455	1.7
150.03203	1.6
163.04027	2.1
164.04782	4.6
168.30853	1.0
176.01141	9.9
190.02759	25.1
191.03531	30.3
191.05176	2.2
205.05067	58.5
209.04558	1.9
221.08200	1.3
223.06136	7.8
250.33357	1.2
251.05606	1.0
261.07657	4.3
265.07065	4.1
303.08960	1.6
315.10956	2.6
357.09595	1.2
461.14929	1.5
497.27682	1.8
513.02100	1.3
521.16699	100.0
557.19556	1.8
557.29364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81757	0.5
59.54730	0.6
67.62540	0.5
72.99306	38.0
73.03609	0.6
74.05097	0.5
89.91580	0.6
120.70657	0.6
123.04517	8.0
135.04514	8.2
151.03975	3.9
179.03517	40.8
197.04568	100.0
197.21640	0.7
211.12195	0.7
331.18079	0.8
359.09885	82.2
365.48874	0.7
391.36880	0.8
554.28406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93405	0.6
67.28707	0.7
72.99303	35.7
120.44084	0.8
123.04524	7.0
127.73121	0.9
135.04497	8.9
151.04050	2.9
174.87666	0.9
179.01930	1.1
179.03506	35.3
197.04567	100.0
223.70122	0.7
241.19507	0.8
242.72122	0.8
306.00473	0.8
359.09888	81.8
359.27536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48351	0.4
55.41000	0.4
59.01371	0.8
63.31440	0.4
71.01375	1.0
72.99300	49.7
83.69491	0.4
89.02463	0.8
109.93945	0.5
123.04521	20.9
125.81943	0.6
133.01476	1.2
135.04523	25.7
147.02901	0.6
151.04001	0.6
153.05640	0.6
179.03499	45.8
180.06654	0.8
181.07051	0.6
182.02213	2.5
197.04561	100.0
217.57655	0.6
359.09891	10.5
383.03491	0.6
557.20282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20432	0.4
58.95507	0.5
59.47371	0.5
71.01395	0.6
72.99300	37.6
89.02406	0.8
96.32165	0.6
121.13135	0.7
123.04511	10.9
131.04544	0.7
133.01396	3.0
135.04526	13.8
138.48579	0.5
151.04001	0.8
179.03502	40.4
197.04558	100.0
215.05739	0.8
235.12477	0.5
359.09860	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00548	0.6
59.69195	0.6
72.99303	47.8
73.60398	0.6
89.54561	0.7
109.02954	0.7
123.04514	15.4
127.30205	0.7
135.04529	24.5
142.39197	0.7
142.62688	0.7
151.04033	0.9
156.59105	0.7
179.03506	43.9
197.04567	100.0
215.05794	0.8
247.83600	0.7
258.70401	0.8
356.63263	0.8
359.09900	24.5
530.96893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74578	0.6
51.79777	0.5
52.61766	0.5
60.12246	0.6
72.99306	33.7
74.96018	0.7
93.14423	0.6
123.04517	8.0
131.96590	0.7
135.04543	9.1
145.48427	0.7
178.82550	0.7
179.03503	37.6
197.04567	100.0
359.09891	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58508	0.8
59.45270	0.8
72.99303	35.4
91.36037	0.9
96.19738	0.9
102.93723	0.9
118.73865	1.0
123.04520	5.9
133.01471	1.3
135.04538	10.2
151.03999	2.1
153.05524	1.4
179.03506	36.5
197.04559	100.0
200.51360	1.1
209.66859	1.1
215.05632	1.1
225.00381	1.1
240.40649	1.0
301.05734	1.0
354.14554	1.1
359.09885	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94927	0.5
59.01369	0.6
61.45720	0.5
71.01368	1.0
71.94691	0.6
72.99302	43.6
88.33028	0.7
89.02443	1.1
96.95983	0.5
113.02364	0.7
116.71363	0.7
120.07944	0.7
123.04504	18.7
133.01447	0.6
135.04523	22.8
151.03981	1.3
167.50111	0.7
179.03494	42.7
182.02168	2.4
197.04562	100.0
343.16476	0.6
359.09845	23.5
359.13669	0.9
469.26181	0.6
497.21820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86564	1.2
62.29727	1.2
69.20572	1.1
70.87349	1.2
71.24791	1.4
72.99303	45.7
77.39291	1.4
91.89940	1.2
92.23098	2.0
100.67735	1.3
123.04527	16.6
135.04529	24.7
138.03250	1.4
140.76196	1.5
153.05429	1.6
173.56801	1.2
179.03494	42.2
197.04561	100.0
359.09811	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1795
Annotation	Biscyclolobin
Peak:m/z	Relative Intensity
58.92412	3.9
58.98508	3.7
59.01389	7.1
59.36927	4.0
60.40822	4.1
63.73643	3.9
68.32349	4.2
83.20483	4.2
83.26597	3.7
89.02459	6.4
98.94753	4.1
101.02418	9.1
105.01909	4.5
113.02475	4.8
119.04964	7.0
135.04491	5.0
145.02975	6.3
161.02444	20.6
163.03995	6.8
174.06534	4.3
206.36116	4.3
211.50929	4.2
226.10941	4.4
273.37439	4.4
329.14026	25.3
359.15143	9.2
425.14584	6.9
459.15344	6.1
521.20288	9.2
557.17847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1802
Annotation	Biscyclolobin
Peak:m/z	Relative Intensity
56.97847	3.0
59.01382	33.0
64.36977	4.5
65.85474	3.2
70.54999	3.3
71.01389	8.7
83.17224	3.8
83.91397	3.7
89.02435	21.9
96.80628	4.0
101.02471	4.6
113.02439	18.0
138.60048	3.8
153.54019	4.1
153.88310	4.4
166.23448	4.1
179.05640	7.8
205.05087	16.4
273.45059	3.8
311.09381	15.5
326.11676	6.4
341.14075	6.8
387.12375	4.2
391.80939	5.1
407.85089	3.9
485.16757	19.4
497.27280	5.3
557.18140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11849	0.8
59.18594	0.8
65.03968	5.2
65.40118	0.8
72.23878	0.8
72.99303	1.2
79.05552	1.4
81.03459	4.7
83.32726	0.8
104.10970	0.9
107.05036	11.0
108.02178	56.5
109.02942	16.6
109.20655	0.9
123.03742	1.1
123.04516	10.2
141.05568	4.1
147.60059	0.9
151.04012	100.0
155.73785	0.9
186.09665	0.9
195.02948	1.0
433.97424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.7
71.01384	5.9
73.02956	1.1
80.15392	0.9
85.02940	1.2
87.00871	35.3
89.02422	3.9
99.23652	1.0
101.02455	6.5
113.02434	3.6
149.02402	1.8
152.01143	1.1
163.03943	1.0
164.04802	11.1
175.00374	4.4
179.07132	1.6
190.02734	47.3
204.94383	1.0
205.05066	91.3
207.02879	1.0
208.03864	3.5
215.90477	1.0
223.06114	8.6
293.21109	1.1
335.22318	36.3
353.23560	1.3
359.50351	1.0
406.78082	1.0
439.12567	1.7
469.17178	100.0
497.27707	9.2
557.29816	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27541	0.9
59.01382	30.8
59.63842	0.9
60.85777	0.9
71.01382	11.1
72.99304	1.6
73.02932	1.4
76.57032	1.0
85.02921	2.0
89.02438	21.2
96.95996	1.6
101.02445	18.0
113.02461	9.7
115.49326	1.1
119.03499	8.8
123.04483	1.2
125.06066	1.5
134.03726	1.7
135.04512	4.5
163.04039	12.4
164.04762	7.0
166.02721	7.4
177.01990	1.4
177.05534	1.4
178.06361	6.7
180.39864	1.0
183.06607	4.6
190.02699	7.1
191.03488	1.9
205.03296	1.8
205.05089	37.4
207.02989	12.5
208.03593	1.2
222.05392	9.4
223.06113	8.4
230.09439	1.8
274.08588	7.6
275.09329	1.8
289.10861	15.4
293.10342	6.6
301.70483	1.1
321.09741	4.4
439.12674	3.3
454.14911	6.6
469.17145	97.8
557.18756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01156	0.2
59.01392	3.3
68.02374	0.3
69.76435	0.3
71.01393	2.5
72.99333	0.4
73.02954	0.4
73.86624	0.3
83.01374	0.5
85.02942	0.7
87.00909	0.5
89.02464	2.5
96.95995	1.3
97.02908	0.6
100.76197	0.3
101.02457	3.0
113.02436	1.5
149.02452	1.4
152.01097	0.4
161.04570	0.5
164.04797	8.0
165.05684	0.6
175.00328	2.0
179.07123	1.9
190.02740	25.5
205.05078	100.0
207.02945	0.4
208.03737	2.3
208.22110	0.3
209.04553	1.9
211.22675	0.4
223.06163	13.8
238.06702	0.3
251.05592	0.5
438.34595	0.3
439.12628	1.3
454.14847	2.7
469.17224	77.6
491.18848	0.3
505.45084	0.3
534.78253	0.3
557.18793	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.7
59.01384	15.7
71.01374	7.8
74.33283	0.6
81.89329	0.6
85.02934	2.3
86.32787	0.6
87.00848	0.7
89.02440	13.9
92.22427	0.8
96.96014	6.6
97.17686	0.7
99.00911	0.6
101.02438	8.1
113.02412	4.1
119.03478	4.0
123.97734	0.6
149.02414	0.9
152.01140	0.7
153.32643	0.7
161.04544	1.3
163.03976	4.2
164.04813	9.1
166.02682	5.3
175.00337	1.0
178.06409	3.6
179.07120	1.4
183.06680	2.5
190.02734	20.9
205.05070	100.0
207.02979	3.3
222.05370	5.0
223.06142	16.4
307.12057	0.8
352.82104	0.7
384.15912	0.7
469.17181	67.3
495.94193	0.7
497.27570	4.9
557.18805	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53976	0.6
59.01392	2.2
71.01389	1.2
73.02926	0.8
75.24850	0.6
81.94197	0.6
87.00880	0.6
89.02444	1.2
101.02434	1.5
113.02457	1.4
119.03466	1.3
149.02391	2.3
152.01103	1.2
164.04782	8.6
175.00336	1.5
179.07114	2.7
190.02721	27.5
205.05063	100.0
208.03735	3.5
209.04539	0.8
223.06151	15.9
251.05434	0.9
265.07431	0.9
343.42572	0.7
439.12463	1.0
454.14911	2.9
469.10129	0.7
469.17163	35.0
557.18762	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35080	0.4
59.01379	3.4
69.59101	0.5
71.01389	3.3
81.77626	0.5
85.02930	1.4
87.00912	0.7
89.02435	2.5
92.61389	0.5
96.96007	2.8
97.02930	2.6
100.59465	0.6
101.02435	3.1
109.07246	0.6
110.13430	0.5
113.02453	1.1
119.03507	0.9
143.36958	0.5
148.97049	0.6
149.02402	0.8
152.01120	0.9
163.03955	1.0
164.04794	9.2
165.35597	0.5
175.00392	1.3
179.07089	1.1
181.08717	0.6
190.02740	24.7
190.04408	1.1
191.24535	0.6
205.05069	100.0
208.03758	2.3
209.04575	2.2
223.06134	17.2
286.51205	0.7
300.88815	0.6
302.69876	0.6
439.12354	0.8
454.14536	1.3
469.17203	74.4
557.18958	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04239	0.8
59.01381	6.0
59.64443	0.9
64.78359	0.9
71.01387	4.6
89.02446	12.6
101.02422	4.3
113.02399	1.4
115.04039	1.4
119.03506	1.3
125.87687	1.0
128.05696	1.1
133.02943	5.7
133.05061	5.6
134.03740	4.8
135.04527	100.0
137.02408	1.3
161.02452	73.5
163.03996	4.4
167.48381	1.1
179.03506	84.0
191.05656	1.6
193.05133	1.7
205.05202	1.5
225.11234	1.5
279.08545	1.3
423.13010	11.7
441.14059	19.6
459.15149	58.8
513.16034	10.9
531.65179	1.3
557.19012	45.7
557.26819	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45031	0.7
59.01380	45.1
64.04398	0.7
69.53123	0.8
71.01376	23.4
71.63325	0.7
72.99277	5.6
74.99368	0.7
83.97863	0.8
85.02927	1.2
89.01884	2.0
89.02436	57.3
101.02442	24.2
104.10707	0.8
113.02439	16.9
119.03488	25.2
131.03534	0.9
143.03531	1.5
179.03494	3.4
179.05618	1.7
197.04562	11.6
279.10867	100.0
359.09766	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61754	0.5
57.36962	0.5
58.00589	0.6
59.01382	42.0
62.44286	0.5
67.94016	0.6
71.01007	1.1
71.01376	22.9
72.99294	7.1
85.02943	2.5
87.00849	1.0
89.02438	53.5
95.01413	0.9
99.04498	0.6
101.02436	22.4
113.02450	17.0
117.01910	1.2
119.03485	22.6
123.04552	1.0
123.99693	0.6
127.08295	0.5
131.03477	2.6
135.04559	0.8
143.03511	0.8
149.04567	0.9
153.00453	0.7
161.04587	1.0
161.55736	0.6
175.71439	0.6
179.03557	5.7
179.05612	3.4
197.04553	16.3
232.37108	0.6
279.10873	100.0
359.09885	11.7
424.72800	0.6
479.35599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10331	1.2
53.06934	1.2
59.01383	73.9
71.01380	36.6
71.01737	2.7
85.02959	3.3
86.97964	1.5
88.95028	1.3
89.02441	83.9
97.02951	2.8
101.02438	34.1
113.02438	22.1
115.04073	2.0
119.03497	34.1
134.59392	1.8
143.03467	1.4
149.32483	1.4
155.99553	1.5
161.04666	1.7
179.05777	1.6
277.09344	30.5
279.10880	100.0
322.59781	2.0
399.73123	1.8
472.14630	1.6
473.35663	1.6
574.69293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.1
67.49071	0.9
68.38480	0.8
71.01369	9.5
73.02940	1.3
78.95895	1.6
85.02950	1.7
85.89462	0.9
87.59958	0.9
89.02445	15.5
92.22510	1.9
99.33842	0.9
101.02437	9.7
113.02462	9.7
117.03452	1.7
119.03491	5.1
134.03740	81.1
149.06091	10.5
158.39911	0.9
160.01694	6.7
161.04570	2.1
175.04037	11.9
178.02719	1.4
179.05620	1.6
193.05064	100.0
195.59283	1.2
249.13353	1.1
324.43726	1.0
335.22418	1.1
489.58423	1.0
497.27591	23.7
557.22333	40.7
557.28778	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74201	1.5
57.34151	1.3
57.42600	1.4
59.01372	8.1
59.86353	1.7
60.46881	1.3
65.96643	1.6
67.58331	1.4
70.14471	1.4
71.01365	7.8
73.82317	1.4
80.68275	1.4
85.02976	2.6
89.02437	2.8
93.03467	2.3
101.02451	2.3
102.69509	1.3
109.02955	3.5
115.52843	1.7
118.05247	1.5
121.02933	9.6
122.03739	14.8
123.04526	2.6
129.01920	1.9
133.02946	24.3
134.03696	7.8
135.04521	1.9
136.69693	1.4
137.02452	2.0
145.02939	3.4
146.03641	2.2
147.04504	7.0
149.02463	19.3
149.06081	25.6
150.03229	79.9
161.06015	1.8
164.04776	13.7
165.05566	100.0
165.06964	3.3
175.87416	1.5
179.07182	15.6
180.04288	6.3
191.03444	2.4
195.06639	14.7
207.90973	1.9
297.11337	2.5
311.22385	1.7
313.10855	2.5
315.12289	2.7
333.20486	2.7
335.22269	23.5
346.14276	18.1
347.15021	14.0
353.38797	1.9
361.16623	60.9
391.26425	1.8
415.17508	12.6
469.16656	2.5
497.27615	31.1
509.21890	93.9
521.21741	9.4
527.68530	1.8
539.23077	27.6
551.81873	1.8
557.23895	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.3
61.46879	0.7
63.16630	0.7
69.44478	0.8
71.01386	6.2
72.99293	0.9
73.02930	1.2
74.70720	0.8
78.95894	1.0
83.52364	0.7
85.02901	0.8
89.02428	4.9
101.02432	6.6
105.64144	0.9
113.02409	1.6
119.03459	2.1
134.73903	0.9
139.47266	0.9
151.03960	3.9
152.99551	3.5
153.01994	1.2
164.04774	5.5
165.05534	5.3
166.06421	3.2
168.04340	1.0
179.03508	4.3
179.07137	35.1
180.04213	1.0
180.07896	8.5
188.96185	1.0
195.06587	4.6
197.04451	1.0
211.13374	1.8
225.07666	21.4
229.14458	1.3
329.23181	1.4
335.22324	8.1
459.22250	4.8
497.27652	7.5
557.26147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
58.00605	1.0
58.33379	0.9
59.01382	71.0
60.32844	1.0
66.13246	1.0
71.01376	54.7
73.02931	12.4
74.39782	1.1
83.01379	7.0
85.02954	16.6
86.66439	1.2
87.00859	9.9
88.07362	1.0
89.02438	72.9
95.01363	1.6
97.02932	1.5
99.00894	1.9
101.02445	57.6
108.89417	1.1
113.02439	35.2
119.03490	22.3
129.02068	1.4
131.03496	12.7
137.09695	8.0
143.03452	4.7
149.04446	1.2
159.03004	2.4
161.04555	24.2
163.11365	1.7
174.37642	1.4
175.86296	1.2
179.05617	60.1
190.02692	2.8
205.05072	15.0
212.28160	1.4
221.04533	1.5
221.06662	43.2
221.08714	2.3
223.06087	1.5
225.11316	1.6
232.96124	1.7
251.72897	1.3
263.05075	2.6
263.07745	58.1
330.97238	1.3
335.22318	100.0
469.17130	13.8
497.27402	9.0
557.07233	1.8
557.18958	6.2
557.28955	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	21.9
83.14806	0.6
92.55538	0.8
96.96958	6.4
122.43404	0.7
139.87413	0.8
152.99585	52.4
191.25568	0.7
193.73683	0.7
240.98932	1.4
241.01216	27.5
241.21747	92.6
315.04922	5.9
492.24750	0.8
557.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2737
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
52.50550	0.5
56.26551	0.5
60.24130	0.6
62.72034	0.6
77.33652	0.6
78.95899	19.4
81.81968	0.7
96.96974	5.1
96.97498	0.7
97.54646	0.6
152.99582	47.5
154.72101	0.8
157.39256	0.7
212.78455	0.7
223.00064	0.8
228.61853	0.8
241.01199	33.1
241.21741	82.7
258.81726	0.7
288.37076	0.7
304.69168	0.7
315.05099	4.9
336.95578	0.9
377.20886	0.7
389.65088	0.7
557.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2738
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
57.69308	0.9
59.01368	4.3
60.93152	0.9
70.61157	1.0
71.01365	1.2
74.93708	1.0
78.95896	22.4
88.43511	1.2
96.95967	0.9
96.96924	5.1
103.67256	1.2
132.78175	1.0
152.99585	75.2
156.54973	1.0
171.00566	4.3
213.69629	1.1
220.74757	1.1
223.00061	6.6
241.01228	17.3
241.21741	93.6
258.27625	1.3
259.02167	1.5
272.81677	1.1
311.22284	2.1
315.04758	6.0
385.02356	1.1
557.26971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37823	2.4
52.71152	2.5
59.01378	11.4
71.46737	2.8
72.18018	2.5
78.95888	24.7
80.95338	2.7
85.72933	2.6
85.86076	3.0
96.95996	11.6
96.97001	4.0
115.50477	2.7
125.09720	5.4
125.85390	3.1
137.22751	2.8
152.99580	77.9
171.00539	3.2
171.10130	3.1
223.00035	5.6
241.01117	26.7
241.21742	87.3
311.22247	5.1
315.04745	4.6
326.28015	3.2
336.97000	3.1
345.54523	3.3
557.26416	100.0
557.34076	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84205	0.6
66.81683	0.6
75.80983	0.6
78.95459	1.3
78.95898	23.6
96.96945	7.9
117.01115	0.6
152.99585	52.9
180.42188	0.7
198.27342	0.8
223.00050	2.6
241.01204	35.5
241.21745	96.2
287.28165	0.6
312.30249	0.8
315.04892	6.1
325.19092	0.7
385.21790	0.7
557.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27370	1.1
58.91391	1.0
59.01373	1.7
61.98839	1.8
71.63554	1.1
78.95902	20.3
96.96956	8.1
101.74333	1.3
103.29491	1.2
108.49709	1.2
152.99586	54.7
154.63057	1.1
155.01428	1.3
185.37027	1.1
223.00157	2.2
241.01192	35.7
241.21744	96.6
249.12422	1.1
315.04999	5.9
336.71222	1.5
386.69373	1.3
440.97476	1.2
501.51999	1.4
557.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.297
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
57.49922	0.5
59.01381	41.1
59.36630	0.5
67.62614	0.6
71.01376	21.6
73.02930	3.3
73.52467	0.7
77.70549	0.5
83.01380	1.3
85.02939	5.1
87.00869	3.5
89.02438	27.0
95.01370	1.1
99.00890	0.6
101.02443	19.0
113.02450	13.9
114.37815	0.7
119.03481	9.4
131.03523	7.4
137.09677	2.6
159.02943	0.8
161.04556	10.6
179.05621	23.7
179.07002	0.8
190.02678	1.2
205.05028	4.4
221.06665	15.4
223.06238	0.9
263.07742	23.0
284.61887	0.7
335.22321	100.0
462.63965	0.8
469.17209	2.7
497.27567	6.1
514.25891	0.6
557.18909	0.8
557.30042	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.07100	0.8
71.01375	17.1
73.02940	4.6
85.02952	6.6
89.02435	13.1
96.96011	1.7
99.00866	1.2
101.02430	11.2
104.71053	0.9
111.00851	3.8
113.02427	9.7
119.03503	4.6
145.02928	1.1
161.04527	2.2
205.05095	9.1
223.06044	1.2
230.93861	1.1
273.18637	1.6
275.20090	13.7
335.22351	2.1
469.17200	7.2
497.27628	92.9
557.19348	7.0
557.29688	29.1
577.04883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
57.19685	0.7
58.00586	1.1
59.01101	1.8
59.01383	43.6
61.98835	5.9
62.56018	0.8
65.06396	0.8
71.01379	23.8
73.02940	7.5
75.03836	0.8
83.01389	5.0
85.02959	11.1
87.00904	1.3
89.02461	7.9
99.00892	4.5
101.02437	25.7
113.02454	13.8
119.03494	1.4
159.02916	1.3
161.04555	12.3
171.10362	1.1
186.11290	1.1
193.05029	1.2
317.21182	1.1
326.97852	1.1
329.23416	1.0
330.21671	1.2
335.22321	27.0
497.27640	100.0
557.30066	13.5
562.73236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2971
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
54.62361	0.8
55.59349	0.8
55.70131	0.9
59.01385	60.1
65.27937	0.9
71.01381	30.4
73.02939	0.9
74.72803	0.9
83.01416	1.3
85.02953	2.6
87.00848	1.2
89.02443	60.5
94.99404	1.0
95.01429	1.7
101.02443	24.9
113.02438	16.8
119.03482	21.8
120.01757	1.1
131.03505	1.2
134.03735	4.8
179.05632	11.4
193.05104	5.3
317.21188	2.5
327.22711	1.1
335.22272	4.4
339.17969	1.0
497.27634	100.0
541.27057	1.2
557.29523	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00364	0.8
59.01382	16.1
59.65245	0.6
61.98833	8.1
71.01371	15.3
73.02932	9.5
77.55896	0.6
83.01379	3.4
85.02948	8.0
87.00893	0.8
89.02445	4.0
95.01381	1.0
99.00871	3.8
101.02435	20.1
109.54646	0.9
111.04506	1.2
113.02417	9.2
119.03487	0.9
134.69167	0.7
161.04550	6.5
189.85733	0.8
248.62163	0.7
251.18024	0.8
297.18735	3.3
299.20175	3.9
315.20044	1.1
317.21225	47.4
335.22314	36.7
497.27646	100.0
557.29047	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.1
61.19820	1.1
70.68157	0.9
71.01372	9.8
73.02953	4.3
84.44842	1.2
85.02936	2.4
89.02434	2.8
89.27983	1.2
99.00857	1.4
101.02436	10.7
113.02417	5.8
161.04536	1.9
167.14418	1.9
193.15730	1.8
249.18637	9.4
267.19681	59.2
275.16626	11.8
293.17645	47.5
293.20743	1.7
311.18750	1.6
311.22208	1.3
343.18201	1.3
539.28851	1.5
557.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97488	1.0
59.01395	10.9
61.98779	0.9
71.01370	14.3
72.33906	1.1
73.02937	6.9
83.01363	1.1
85.02924	5.8
101.02429	15.5
101.06048	1.8
113.02457	8.2
133.05092	1.1
139.20085	1.2
159.02965	1.5
161.04568	2.1
169.12306	1.7
171.10228	2.4
233.15323	1.4
249.18544	10.2
267.19656	42.2
275.16574	10.6
293.17624	45.3
539.28717	2.9
548.43958	1.3
557.29596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2976
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
58.37950	0.7
59.01105	1.4
59.01386	29.4
65.72581	0.7
67.52579	0.7
71.01370	10.5
73.02956	4.2
83.01396	1.8
85.02943	4.5
87.00870	0.9
89.02433	3.2
99.00915	1.5
101.02446	15.4
113.02433	6.4
115.48524	0.9
119.03469	0.9
160.10310	0.7
161.04567	1.4
207.13908	1.3
228.58635	0.8
235.14972	3.5
251.18037	5.3
297.18570	1.2
317.21289	3.4
335.22321	100.0
440.99396	0.9
497.27731	70.9
513.26788	1.5
557.26776	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
62.41685	0.5
68.80697	0.5
71.01361	0.9
73.02945	0.5
89.02444	0.6
96.95993	0.6
101.02440	0.8
105.74701	0.5
107.68563	0.5
113.02364	0.7
136.93156	0.6
141.82671	0.6
159.68460	0.5
164.04672	0.8
165.05551	0.9
179.07120	0.8
223.06239	0.7
252.79744	0.5
261.87244	0.7
335.22363	7.4
342.04465	2.7
364.94077	0.5
459.15051	2.2
465.58090	0.5
479.26431	1.2
497.27621	100.0
557.19250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	1.3
59.01378	51.0
64.34439	1.3
71.01373	22.8
73.02954	10.4
78.95897	1.3
81.66264	1.5
85.02945	12.9
87.00867	19.4
89.02428	11.0
91.26960	1.3
95.01360	1.3
99.00871	3.3
99.08173	1.7
101.02425	17.6
103.04003	1.9
109.07655	1.3
109.47321	1.3
113.02453	13.7
113.03105	1.4
133.01414	2.7
133.05035	15.1
134.03709	14.1
135.04083	7.0
136.04227	1.7
143.43330	1.4
149.06061	1.6
152.99574	6.8
155.28458	1.9
159.03082	2.0
161.04591	3.5
171.10272	9.8
178.19763	1.6
193.05096	16.6
194.05382	9.5
195.05630	3.6
229.14522	2.9
247.74059	1.4
263.40256	1.5
265.60046	1.6
329.23325	5.3
335.22354	13.6
386.69846	1.6
461.77603	1.5
497.20331	3.3
497.27621	100.0
526.34399	1.6
557.20941	5.0
557.28241	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51339	0.4
51.64919	0.5
54.63593	0.5
58.13031	0.5
59.01387	6.1
61.98834	100.0
78.95921	3.7
89.34109	0.6
118.00608	0.6
122.78564	0.6
152.99648	0.8
166.74281	0.7
224.06944	2.2
225.07121	0.7
255.23312	12.1
256.23682	17.2
257.23950	9.9
258.24182	7.2
279.23444	0.7
280.23700	0.7
282.25031	0.7
283.27969	0.6
305.32977	0.7
480.31168	3.1
481.31439	2.7
482.31650	5.5
483.31870	19.5
557.31891	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22130	0.3
56.24599	0.3
65.69496	0.3
85.06580	0.6
92.67941	0.5
93.33140	0.4
97.06571	0.4
115.07613	0.9
124.07117	0.5
149.91823	0.4
153.44470	0.4
155.14349	0.6
156.30431	0.4
183.13838	0.4
199.13371	0.6
244.05417	0.4
251.20149	0.8
267.19565	0.5
269.21237	25.7
269.24121	0.9
285.20831	4.2
287.22302	100.0
374.92093	0.4
383.02515	0.5
437.24792	0.4
464.91656	0.4
476.51743	0.5
557.44287	68.0
571.89526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62251	0.4
50.81126	0.3
55.94476	0.4
69.13136	0.3
70.33154	0.4
70.95409	0.4
82.95979	0.4
85.06603	0.6
90.39705	0.4
92.22535	0.5
100.92237	0.4
112.66411	0.4
115.07623	0.5
199.13467	1.5
204.43553	0.4
219.72855	0.4
229.89577	0.4
246.47537	0.5
251.20181	2.4
267.19525	0.5
269.21240	25.5
274.78891	0.4
285.20706	6.2
287.22296	100.0
557.44263	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.85189	1.1
62.75283	1.0
71.01372	1.4
89.02444	4.7
101.02429	1.3
105.22508	1.3
135.04535	28.1
138.05566	1.4
149.06075	1.6
161.02435	28.9
177.05585	18.6
179.03508	100.0
196.49939	1.2
216.05165	8.7
221.02504	1.5
221.04556	40.8
228.11232	1.1
251.05577	13.4
281.06747	40.8
341.08804	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.85189	1.1
62.75283	1.0
71.01372	1.4
89.02444	4.7
101.02429	1.3
105.22508	1.3
135.04535	28.1
138.05566	1.4
149.06075	1.6
161.02435	28.9
177.05585	18.6
179.03508	100.0
196.49939	1.2
216.05165	8.7
221.02504	1.5
221.04556	40.8
228.11232	1.1
251.05577	13.4
281.06747	40.8
341.08804	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18150	0.7
53.24228	0.7
53.56472	0.8
59.01365	5.7
61.98817	1.5
70.97489	0.8
71.01392	3.2
77.25471	0.8
80.03392	0.9
81.21439	0.9
87.93353	0.8
94.89748	0.7
97.11650	0.8
101.02420	1.1
105.47318	1.0
113.02429	1.0
130.06596	1.8
137.48372	0.8
137.96652	0.9
142.06622	5.4
144.04544	10.6
144.08148	7.9
145.05304	1.4
146.06113	32.4
147.04535	4.5
149.02441	26.6
156.08139	1.0
157.95399	1.3
158.06084	3.8
160.07669	17.1
164.04796	56.7
170.06090	5.4
171.64754	0.8
172.43617	1.2
175.00404	1.2
176.01204	1.3
179.07141	5.4
186.05598	5.5
188.07155	14.3
190.02722	23.2
190.05084	3.9
191.03497	4.2
205.05061	35.0
206.05699	1.5
208.03778	5.9
221.08055	1.3
223.06126	46.1
250.04640	1.0
265.07327	1.6
318.32895	0.9
352.10202	1.7
367.10297	5.5
514.17212	26.2
558.16223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76130	0.6
60.70929	0.7
61.98833	100.0
70.90913	0.7
75.02905	0.6
110.65450	0.7
128.76472	0.9
203.06171	0.7
333.20724	3.2
387.02203	0.9
558.25378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91415	0.9
57.13458	0.8
59.01361	0.9
61.98831	100.0
96.00640	0.9
111.08514	0.9
118.01433	2.3
125.75590	1.0
136.80515	1.2
257.31683	1.0
279.23242	1.3
316.50183	1.0
345.60892	1.0
448.20438	1.3
574.44183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46346	0.8
53.81631	0.9
65.45985	0.8
73.02916	1.0
78.95893	1.1
83.47029	0.9
83.97092	0.9
89.02435	1.1
95.37276	1.1
101.02441	1.8
170.12587	1.2
170.20078	1.0
192.50246	1.0
211.60403	1.1
224.06995	2.2
253.09331	10.5
279.23325	100.0
281.24896	12.2
283.25558	1.3
381.29358	1.2
506.32416	7.3
515.32062	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24658	1.4
59.01366	2.8
61.98826	4.5
71.01429	2.4
76.74259	1.9
79.33183	1.8
101.02417	2.8
116.92860	3.8
118.24871	1.9
131.04549	3.0
134.55751	2.2
190.41728	1.9
219.72844	2.0
253.09402	10.5
256.47382	2.2
263.77600	2.1
279.23303	100.0
281.24844	3.9
293.21222	2.5
294.21640	2.6
428.35547	2.4
485.87900	2.3
506.32727	3.2
515.32336	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26780	1.5
61.98812	1.8
63.19476	1.2
78.53178	1.2
78.95916	8.5
81.75840	1.3
125.23853	1.3
131.90526	1.7
152.99619	1.8
165.77922	1.5
224.06937	7.1
230.00496	1.6
283.26447	100.0
295.84982	1.7
323.08841	1.5
413.52612	1.4
467.86981	1.7
508.34128	49.8
514.11115	1.5
558.43829	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.46055	2.8
83.01391	15.9
97.60381	3.2
101.02441	3.5
139.46893	3.1
157.05063	12.9
175.06133	24.2
193.07129	6.8
230.89323	3.5
250.49911	3.9
252.44992	3.3
281.24899	97.3
439.30688	21.0
457.31686	43.4
499.32776	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83638	1.7
52.26904	1.8
53.85844	2.2
69.84661	2.1
71.01378	2.5
72.99300	10.6
75.59558	2.6
75.71246	2.4
83.05016	11.8
89.02408	2.5
111.04537	19.4
115.03983	9.6
127.04008	54.7
129.05534	5.0
135.04460	4.2
155.03511	70.8
163.04021	3.9
169.05258	2.4
179.03513	13.7
180.03889	4.6
181.82793	2.9
191.05737	3.7
199.02481	49.6
216.07274	2.8
217.03540	100.0
252.06023	3.3
341.08752	4.8
342.09103	13.1
459.13431	2.6
559.16998	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97601	0.2
59.01384	1.7
78.05875	0.3
81.16605	0.3
93.03453	34.5
113.02444	14.3
119.05027	0.4
137.02449	100.0
145.02985	1.6
204.08917	0.4
421.11478	1.7
472.78009	0.3
489.51172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41451	0.4
58.18834	0.4
59.01374	0.9
67.01893	0.7
69.03433	0.5
70.13680	0.4
70.15693	0.5
70.66445	0.5
71.01375	0.8
80.77953	0.5
83.05018	0.5
85.02920	3.6
87.00862	2.6
93.03450	10.2
97.01419	0.4
111.04515	2.7
127.04025	0.7
134.03719	0.7
148.26276	0.5
152.01144	0.8
155.03389	0.7
167.03494	0.8
173.04535	6.0
191.03822	3.2
191.05629	100.0
193.05074	3.2
195.03215	0.5
205.05025	0.6
221.08266	0.7
223.06175	1.0
243.15480	0.6
283.25159	0.5
353.11078	2.8
367.10345	13.3
367.75168	0.6
559.16675	13.3
578.54321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41451	0.4
58.18834	0.4
59.01374	0.9
67.01893	0.7
69.03433	0.5
70.13680	0.4
70.15693	0.5
70.66445	0.5
71.01375	0.8
80.77953	0.5
83.05018	0.5
85.02920	3.6
87.00862	2.6
93.03450	10.2
97.01419	0.4
111.04515	2.7
127.04025	0.7
134.03719	0.7
148.26276	0.5
152.01144	0.8
155.03389	0.7
167.03494	0.8
173.04535	6.0
191.03822	3.2
191.05629	100.0
193.05074	3.2
195.03215	0.5
205.05025	0.6
221.08266	0.7
223.06175	1.0
243.15480	0.6
283.25159	0.5
353.11078	2.8
367.10345	13.3
367.75168	0.6
559.16675	13.3
578.54321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
71.01358	2.5
75.00858	2.6
76.94271	0.9
85.02939	8.2
89.02427	5.5
98.62770	1.2
101.02450	1.5
102.75214	1.1
113.02462	1.1
119.03550	1.5
119.05013	24.9
127.04012	1.4
135.01990	2.3
135.03000	59.7
137.02454	5.4
155.03419	1.2
163.02640	2.5
163.04007	63.5
164.08920	1.1
169.24188	1.3
173.09608	1.5
177.96327	1.2
191.10826	2.1
217.03839	1.4
217.08696	31.1
228.52283	1.2
235.09714	1.4
250.24648	1.1
261.07663	15.3
268.92862	1.1
279.08667	1.7
281.06689	1.3
321.09729	6.6
435.02969	1.2
499.14832	8.8
537.11835	1.3
559.16742	100.0
578.48743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.6
59.01382	23.6
71.01373	11.4
72.99290	1.7
73.93306	1.0
74.12479	1.2
75.00849	2.8
75.10370	0.9
85.02938	10.1
89.02438	21.3
99.69444	1.2
101.02425	10.2
111.04496	5.0
113.02480	8.0
117.01949	1.7
117.75476	1.2
119.03576	8.8
119.05022	29.8
127.04005	17.2
135.02998	67.0
155.03487	12.7
163.02641	2.6
163.04015	78.8
173.09650	1.6
191.10770	4.7
196.13687	1.2
199.02553	13.1
217.03589	12.4
217.08728	39.5
235.09764	2.1
261.07706	20.3
279.11084	15.0
297.11877	9.6
321.09787	7.7
499.14868	7.7
512.09949	1.2
559.16565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
67.01884	0.5
73.02926	0.4
76.99709	0.4
85.02941	3.3
86.62603	0.3
87.00855	2.4
93.03444	6.8
111.04518	1.3
114.17136	0.4
120.55614	0.4
127.03941	0.8
134.03674	0.9
141.07603	0.4
158.03917	0.4
173.04555	4.1
191.05627	100.0
193.04980	2.8
367.06125	0.8
367.10385	14.6
542.63916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
60.87706	0.5
71.01383	1.1
72.00659	0.5
72.05187	0.6
75.00916	0.6
87.00871	100.0
89.02428	0.9
91.36473	0.5
96.96024	4.7
101.02433	0.8
103.55826	0.6
113.02443	11.1
137.02507	0.8
145.02928	0.9
193.05023	0.6
209.77676	0.6
215.07117	1.2
227.67081	0.7
368.77823	0.7
416.69391	0.7
499.28323	0.8
559.15546	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1826
Annotation	Antibiotic MM 44325
Peak:m/z	Relative Intensity
56.76878	1.3
59.01376	7.4
61.98802	1.4
65.68545	1.5
67.15537	1.1
71.01378	100.0
72.99300	44.9
84.37117	1.2
87.00861	9.9
96.99297	10.9
100.22767	1.5
115.00373	5.9
129.01947	2.3
329.23505	2.1
360.88513	1.6
378.65964	1.7
541.17224	38.1
559.18719	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.2
67.62241	1.1
70.79427	1.2
71.01376	80.4
72.99301	24.7
77.97822	1.2
78.95911	1.4
81.32551	1.2
87.00865	55.8
89.02429	19.7
100.05029	1.2
101.02426	7.1
113.02414	2.8
115.00362	26.1
119.03488	8.9
129.01884	10.4
133.01419	1.5
147.02994	100.0
147.06621	1.9
151.06090	9.1
168.16348	1.4
179.03467	1.9
179.05672	1.7
197.04553	2.7
200.11684	1.4
223.81401	1.4
313.11441	64.9
359.09573	1.4
559.03192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1885
Annotation	(+)-Siddiquine
Peak:m/z	Relative Intensity
53.53621	0.7
55.01873	0.7
55.47229	0.6
56.38047	0.6
59.01381	38.5
59.47284	0.6
61.98824	1.2
70.71709	0.6
71.01012	1.1
71.01378	22.6
72.99290	1.5
73.02944	5.5
82.30437	0.7
83.01371	1.4
85.02946	5.1
87.00863	8.4
89.02440	33.9
95.01366	1.0
97.02934	4.0
99.00907	1.4
101.02435	27.0
111.04514	0.9
113.02444	17.9
119.03476	7.1
125.02422	7.3
131.03522	5.5
143.03476	2.7
161.04567	6.4
179.05585	5.6
192.81171	0.7
194.27197	0.8
203.05658	3.7
221.06754	5.2
234.49948	0.7
235.08284	3.5
243.69606	0.8
270.96817	0.7
286.14359	0.8
309.98254	0.7
379.12509	2.8
397.13635	3.4
439.15045	1.2
559.18878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43630	0.6
59.01392	1.9
59.67688	0.7
64.34641	0.9
71.01372	8.4
72.99309	1.5
88.98824	0.7
89.02441	3.5
89.77762	0.7
96.96957	0.9
108.45465	0.9
113.02489	0.9
115.00361	38.3
133.01427	100.0
168.63455	0.8
191.05608	5.8
204.43990	0.8
297.12204	0.9
528.75635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04981	0.4
52.27502	0.4
63.89618	0.4
106.00600	0.7
111.00908	0.5
121.02950	33.2
138.03188	4.1
152.68387	0.5
153.05569	49.4
179.03552	0.6
182.02277	3.9
197.04570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
65.42152	1.1
71.01366	9.9
73.02954	1.7
83.63031	1.2
85.02940	5.4
89.02435	2.6
95.07297	1.1
99.00860	1.3
101.02425	6.7
113.02426	4.9
135.04520	12.3
161.04529	13.5
164.04803	5.4
173.09729	2.2
190.10001	100.0
191.10802	40.5
205.08684	1.7
228.57747	1.4
233.11847	2.4
284.09079	2.7
353.16113	42.3
559.20416	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26592	0.3
54.44039	0.3
59.01381	2.4
67.29285	0.3
67.66338	0.3
71.01382	5.7
71.05027	0.5
72.99306	4.6
73.02946	2.1
81.03460	3.6
85.02956	2.9
89.02444	2.2
92.07976	0.4
99.00861	0.6
99.04518	7.0
101.02448	4.4
107.99579	0.3
111.56414	0.3
113.02446	3.1
119.05009	6.7
127.04015	0.5
127.42648	0.4
135.04524	15.9
155.03516	0.6
161.04555	3.7
163.04008	34.1
181.05077	100.0
191.05553	0.6
199.02579	0.5
217.03613	1.6
229.75375	0.4
265.14023	0.4
279.10864	16.6
357.12863	0.4
439.80969	0.4
545.26855	0.5
559.16559	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94483	0.8
52.59401	0.7
59.01391	12.1
67.96569	0.7
71.01371	8.6
73.02927	1.3
87.00866	24.1
89.02435	7.4
101.02463	9.0
106.41911	0.9
113.02435	6.7
119.03485	4.1
129.05530	1.0
137.02419	1.3
151.04024	3.9
161.04575	3.9
165.05562	5.2
166.06387	7.4
181.05069	1.1
181.93097	1.0
207.06667	14.0
225.07713	95.2
261.50421	0.9
263.11398	1.6
320.27618	1.0
378.66046	1.1
471.18674	6.7
515.18732	1.1
539.67212	1.1
559.20386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42966	0.5
57.21961	0.6
57.93958	0.6
68.24463	0.6
72.37172	0.6
72.99306	51.8
80.56466	0.6
87.91740	0.7
98.19739	0.6
102.46469	0.7
109.02953	1.0
123.04516	23.2
135.04527	32.6
174.20998	0.8
175.61609	0.7
179.01913	1.6
179.03510	51.5
197.04570	100.0
215.05540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67705	1.3
59.01100	2.4
59.01382	49.0
71.01381	23.3
78.95914	1.6
87.00906	2.1
89.02438	63.1
93.17393	1.7
96.96006	2.9
101.02441	21.1
113.02440	15.7
113.26371	1.5
116.74521	1.3
117.01914	2.1
117.05568	2.3
119.03487	25.9
134.73320	1.4
146.14000	1.6
149.04730	1.8
149.55476	1.3
152.25700	1.5
179.05579	2.5
191.05663	1.6
197.04524	2.5
199.90936	1.7
279.10883	100.0
288.35013	1.8
315.07178	1.9
354.04385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04717	0.9
55.22847	1.0
59.01380	41.6
71.01380	25.1
73.02914	1.1
76.37688	1.0
85.02962	5.0
89.02441	53.3
90.87810	1.0
91.92786	1.3
101.02445	24.2
113.02449	15.8
115.04022	1.4
119.03493	25.4
129.47188	1.1
149.04510	1.7
164.68857	1.1
178.66743	1.3
179.05698	1.3
182.42294	1.2
191.05586	12.5
212.37497	1.5
279.10864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35484	0.8
59.01382	44.9
71.01378	24.6
72.99305	3.6
78.95895	11.4
85.02937	2.2
89.02439	59.6
96.96960	5.1
101.02441	22.7
108.07475	1.0
113.02448	14.8
119.03497	24.9
125.00097	18.9
127.71696	0.9
137.99239	1.0
152.99600	2.2
161.04633	1.3
171.00677	1.3
179.03557	3.6
179.60103	1.0
197.04591	4.2
199.03810	41.2
204.74615	1.0
218.43361	0.9
235.31795	1.0
266.38315	0.9
279.10880	100.0
298.43774	0.9
329.08923	1.3
330.23782	1.0
359.09814	5.5
418.79028	1.1
445.62216	0.9
449.94232	1.1
461.13168	7.2
472.39981	0.9
513.70691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
59.01370	18.8
68.57175	1.0
71.01379	32.5
72.56205	1.2
72.99293	5.2
73.02941	9.6
75.91518	1.0
81.03461	19.8
83.01376	1.7
85.02943	18.2
85.29605	1.1
87.00870	1.1
89.02437	6.7
94.41355	1.2
99.00871	5.8
99.04518	41.2
101.02444	31.2
113.02451	22.7
117.05591	1.5
119.03497	1.6
119.04994	12.9
127.03994	3.1
135.03015	19.0
135.04510	11.5
135.47289	1.1
150.49263	1.3
159.03029	2.1
161.04553	19.9
163.04004	46.1
164.36078	1.2
181.05069	65.8
208.55957	1.3
208.88606	1.3
217.08733	11.0
261.07666	5.8
279.10870	100.0
300.00238	1.4
375.09671	1.5
499.14835	1.7
559.16614	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.7
60.64646	2.2
60.64985	1.8
61.82453	2.0
71.01381	19.5
73.02949	9.3
78.95908	3.6
79.60712	2.0
86.95188	2.8
89.02442	59.0
101.02445	23.4
110.12457	2.5
113.02442	20.4
115.03986	4.6
117.01917	17.8
119.03457	18.7
130.08720	4.7
137.31332	2.5
153.51044	2.8
155.03445	3.2
158.76094	2.2
180.06702	2.8
191.05624	15.5
204.60326	2.7
222.07768	3.4
265.43301	2.6
279.10883	100.0
286.57724	3.0
475.81836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30801	0.8
55.57917	1.0
57.03432	1.3
59.01105	2.0
59.01385	40.6
71.01374	29.6
71.65197	0.9
73.02947	8.7
83.01379	4.3
85.02955	13.4
89.02450	22.5
91.38876	0.9
97.02930	2.4
99.00908	2.0
101.02440	32.7
111.00880	1.3
113.02448	14.5
115.04019	9.6
115.66151	0.9
119.03516	9.4
135.67049	1.1
216.98367	1.0
219.13902	1.1
222.95445	1.0
461.24017	40.4
559.27686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00819	0.8
51.35205	0.6
52.06719	0.7
54.62559	0.7
57.03440	1.0
59.01370	1.7
69.80103	0.9
71.01377	5.0
81.53954	0.9
88.82139	0.9
91.14475	0.9
95.63718	0.8
99.77091	0.8
100.17846	0.8
153.12851	38.5
171.10289	1.2
185.11827	1.1
193.44875	0.8
197.10001	1.6
197.11844	58.0
215.12886	100.0
247.11943	0.9
329.23251	2.1
407.22791	0.9
559.27618	78.0
559.34918	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.6
59.01388	10.8
68.65376	0.4
85.70615	0.4
87.89670	0.4
92.08527	0.4
93.03455	49.2
137.02451	100.0
204.62871	0.5
214.64856	0.5
253.21774	11.3
277.21756	3.5
279.23465	0.8
310.60550	0.4
384.71005	0.5
559.29095	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69609	13.2
54.85197	18.2
55.62677	15.2
59.01376	37.4
85.60045	19.0
98.11423	16.2
106.06786	18.9
124.84299	17.7
239.20061	24.2
247.21298	20.4
253.21721	100.0
353.24844	20.8
475.90384	21.9
559.30750	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3053
Annotation	Inocalophyllin A
Peak:m/z	Relative Intensity
55.75560	13.6
57.54176	16.1
60.89521	14.4
61.73495	15.6
79.90907	14.4
99.34248	16.0
116.92841	38.4
117.24711	15.9
161.52089	15.1
169.20537	18.8
367.89413	17.2
501.59134	19.3
559.30511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37093	1.0
54.89581	0.8
55.01852	1.0
55.30666	0.9
55.43298	0.9
59.01384	70.1
69.17719	0.8
71.01376	24.7
71.01743	1.7
73.02945	7.2
73.85538	0.9
83.01374	4.1
85.02953	12.8
89.02434	5.8
95.01382	1.6
99.00876	2.2
101.02443	21.8
113.02449	13.8
119.03466	1.4
126.29503	1.0
126.72262	1.0
136.74100	1.1
150.03183	2.1
159.02953	1.7
159.06847	1.2
161.04553	11.4
165.05647	2.2
166.05896	1.3
195.06592	1.3
218.29283	0.9
227.39139	1.1
277.21848	1.7
337.23785	1.9
499.29211	100.0
559.24408	2.7
559.31372	15.2
568.25757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.0
61.98831	1.0
69.27120	0.8
71.01383	23.1
72.99307	0.9
73.02936	7.2
75.53202	1.1
80.11592	0.9
83.01398	1.7
85.02946	9.9
89.02441	16.3
99.00884	2.4
101.02443	28.6
113.02432	16.9
119.03488	6.7
130.41000	0.9
153.01933	2.2
161.04550	7.2
197.11925	1.5
214.14467	15.9
251.02571	1.0
310.08575	1.0
349.33621	1.0
499.29199	100.0
559.31287	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.42871	0.8
57.03447	1.0
59.01387	79.0
61.98832	0.9
71.01377	31.2
73.02943	10.9
79.44667	1.0
83.01384	5.6
85.02474	1.6
85.02943	17.8
87.00854	1.7
89.02434	6.6
92.22453	1.1
95.01400	1.5
99.00858	1.8
101.02444	33.3
113.02443	15.5
114.12276	1.0
156.63562	1.0
159.02953	2.1
161.04576	9.5
164.23460	1.1
177.66364	0.9
206.07732	1.1
246.02858	1.1
277.21704	5.1
337.23776	1.4
423.59265	1.0
499.29224	100.0
543.28613	1.4
559.31323	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57605	0.6
59.01386	2.6
59.89703	0.6
64.00311	0.5
70.02561	0.5
71.01382	0.6
76.03376	0.6
76.17918	0.5
87.87472	0.5
88.04000	0.5
97.06599	2.7
118.33639	0.7
125.09711	44.6
157.68929	0.6
169.08690	3.4
169.89771	0.6
187.09767	100.0
205.05083	0.7
206.40567	0.7
252.50325	0.6
522.74731	0.8
548.04065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68929	0.6
57.48465	0.5
58.43023	0.6
59.01382	100.0
60.12743	0.6
61.98843	1.3
63.55532	0.7
67.94931	0.8
71.01374	8.8
73.02943	1.3
75.00878	0.6
85.02965	1.5
89.02444	14.2
101.02428	5.3
105.18801	0.8
105.47619	0.7
110.65579	0.7
113.02442	5.4
119.03500	6.1
143.03520	0.9
161.04559	3.2
168.94154	0.8
171.10133	1.4
179.05624	12.6
272.02792	0.9
272.43277	0.8
383.15744	0.8
499.29025	8.3
559.31464	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03442	0.8
57.39796	0.7
59.01384	50.9
61.98830	4.5
71.01381	25.4
71.44661	0.8
73.02943	11.3
77.91064	0.7
83.01379	5.7
85.02946	15.1
85.78417	0.8
87.00865	3.2
89.02454	1.5
95.01370	1.6
97.54892	0.8
99.00882	5.4
101.02443	30.8
101.03087	1.6
108.10989	0.8
113.02454	14.1
129.02000	1.0
159.02995	3.4
159.10143	0.8
161.04568	8.6
162.28271	0.9
191.35237	0.9
218.08371	0.9
277.21707	4.8
337.24014	1.9
457.71713	0.9
499.29175	100.0
559.31305	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12745	2.5
58.06071	3.4
59.01357	3.0
61.98824	4.3
67.83940	2.9
69.05361	2.8
69.10033	2.6
78.95928	3.7
81.48174	2.8
92.22453	3.3
96.09326	3.4
152.99583	7.1
178.10503	3.2
277.21762	100.0
277.68039	3.5
476.55591	3.7
502.29416	92.2
559.31482	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55139	1.5
57.15093	1.5
59.01376	19.1
61.41480	1.5
61.98849	2.5
67.21545	1.7
71.01381	10.0
78.03053	1.6
78.71804	1.9
78.95897	13.9
79.58846	1.8
86.76479	2.3
89.02430	16.5
91.75466	1.9
101.02467	12.7
101.36214	1.6
113.02460	9.3
125.02463	3.1
152.99583	4.0
161.04617	2.2
173.43353	2.0
179.05681	1.8
206.73563	1.9
224.06982	10.7
242.07957	2.3
277.21753	82.7
502.29501	100.0
559.18909	44.5
559.31635	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29043	0.5
53.71998	0.5
54.87647	0.5
59.01384	45.5
62.99704	0.6
71.01384	3.1
85.02956	0.8
89.02442	2.8
99.92558	1.4
101.02448	2.8
102.50875	0.6
102.66398	0.7
113.02468	0.9
115.92073	0.9
116.92838	2.7
119.03539	0.6
159.51099	0.6
161.04485	0.9
184.25920	0.6
191.60184	0.7
253.21750	100.0
263.11353	3.9
267.23291	1.0
284.26889	0.8
287.22418	1.0
288.22656	0.9
288.95947	0.7
289.22961	1.1
361.90039	0.6
367.29773	0.8
499.32901	4.2
559.23785	6.9
559.32379	0.8
559.36646	0.7
559.45190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76227	0.8
55.99422	0.8
63.97871	1.0
71.65094	1.0
72.99307	10.5
75.00864	81.3
76.66644	0.9
96.94796	1.0
134.78683	1.1
140.62589	1.2
171.08891	1.2
171.10194	9.1
185.11850	10.1
201.11296	5.2
222.19429	1.1
229.10780	2.1
247.11935	2.2
248.43745	1.1
255.23264	22.9
279.23294	10.5
303.14542	1.8
321.15552	1.9
326.16611	1.3
380.77383	1.3
406.38901	1.3
559.38568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72948	0.8
61.07316	0.9
63.78574	1.0
69.61147	0.8
72.99308	8.0
74.48686	0.9
75.00872	59.3
75.01296	2.2
78.18891	0.9
99.45033	1.0
116.41692	1.0
171.10271	5.9
185.11871	5.9
201.11316	2.4
242.49557	1.1
247.11900	1.6
255.23306	20.3
279.23334	16.3
303.14423	1.4
442.72775	1.1
559.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80665	0.7
59.01376	5.4
61.74108	0.8
61.98832	6.8
62.72106	0.9
72.99307	20.2
74.61665	0.9
77.68999	0.8
102.87350	1.0
123.04536	2.0
134.71231	1.0
135.04539	9.7
151.03987	1.4
160.04074	7.3
161.02444	5.2
193.04997	2.1
194.88789	1.1
255.02974	1.1
259.13171	1.2
261.33444	1.1
268.03732	1.2
280.06219	1.2
293.03394	12.8
295.02661	1.4
306.04105	1.6
308.05731	25.7
334.03772	4.3
336.05191	1.2
394.07355	1.1
424.08496	1.5
440.07516	1.7
450.06015	1.4
452.07809	1.8
470.95520	1.2
486.12204	7.2
498.11871	1.6
538.38269	1.4
560.12061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28889	0.4
57.80254	0.4
59.01389	1.0
61.98833	100.0
62.48857	0.5
62.69073	0.4
64.49229	0.5
64.74818	0.6
71.01381	0.7
96.28377	0.6
107.07769	0.6
108.98702	0.5
121.25344	0.6
175.90060	0.5
201.41689	0.7
227.92245	0.6
469.85956	0.7
500.28781	1.3
560.26831	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01330	0.7
68.19801	0.5
69.30842	0.5
78.95903	15.5
96.96915	1.3
101.89633	0.6
124.04053	5.1
127.20515	0.6
127.89921	0.6
128.14912	0.6
140.56938	0.6
146.15575	0.6
150.30286	0.6
152.98326	0.9
152.99586	37.0
255.23318	100.0
277.71136	0.6
290.42300	0.6
304.05957	1.3
310.14169	0.7
435.93613	0.7
560.30029	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08685	0.5
56.41815	0.5
61.30040	0.5
74.17011	0.6
76.22021	0.5
96.59569	0.6
127.07684	1.1
127.91177	0.5
128.10825	1.0
130.08736	75.0
137.02437	1.5
146.41913	0.6
146.93854	0.8
172.09799	100.0
220.95728	0.6
494.38898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84946	0.8
56.20422	0.9
56.47452	0.9
57.12157	1.0
57.18585	0.9
57.73540	1.1
59.01384	1.5
62.16174	1.0
89.02431	1.5
101.02421	1.8
108.82969	1.3
115.42664	1.2
119.27663	1.1
172.59378	1.1
219.02084	1.2
235.08223	1.2
241.65746	1.1
253.09358	9.9
281.24875	100.0
438.01874	1.7
517.33911	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01631	0.3
59.01381	1.8
64.70852	0.2
71.01378	1.3
77.09785	0.2
77.35987	0.3
79.95734	0.7
89.02444	2.4
96.96004	100.0
101.02415	0.6
124.65948	0.3
131.03485	0.5
142.48041	0.3
147.03262	0.3
149.04562	1.4
191.05676	0.3
195.84912	0.3
212.67532	0.3
358.11136	0.4
561.18646	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02061	0.8
59.01381	6.1
63.67218	0.8
67.04852	0.7
67.66730	0.8
71.01379	9.2
71.77612	0.8
73.02953	1.2
78.95901	40.5
85.02959	1.2
85.70588	0.9
89.02435	24.1
96.96954	100.0
99.00880	23.6
101.02460	3.6
105.38558	0.8
110.98552	1.1
113.02461	12.5
131.03500	6.1
143.03511	1.0
149.04559	16.9
150.03201	15.1
151.01898	0.9
151.03996	20.4
161.04539	5.6
191.05637	13.0
195.65874	1.1
293.08844	1.0
353.11133	1.0
445.13599	18.9
463.14655	70.0
561.11786	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02106	0.9
52.59145	1.1
59.01380	10.8
61.98829	60.6
63.12843	1.0
71.01381	1.9
72.01061	1.1
73.33370	1.2
75.90551	1.2
88.28798	1.1
89.02458	1.7
101.02451	3.1
110.38668	1.2
111.00890	9.5
111.49491	1.2
112.71272	1.1
113.02420	1.6
117.51821	1.2
121.61057	1.3
133.63646	1.2
156.16479	1.5
166.42622	1.4
174.08528	1.3
236.39055	1.6
240.92651	1.9
294.05045	1.7
306.04111	100.0
312.18542	1.7
321.06448	54.8
336.08804	77.7
498.14117	79.6
501.30350	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00225	1.3
59.01381	100.0
67.42322	1.4
87.00863	15.4
95.77232	1.9
103.00365	37.7
103.04011	4.0
131.10483	1.5
133.05072	57.4
135.04536	17.5
140.69702	1.5
143.66510	1.5
163.03981	2.4
175.06041	14.1
179.03500	68.7
181.05037	9.2
219.05124	10.6
240.15596	1.9
255.17175	2.0
277.62555	2.0
328.85962	1.8
341.08899	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11083	1.1
54.75749	0.8
57.92869	1.0
59.01382	100.0
60.58751	1.0
62.95612	1.0
63.77214	1.0
65.55021	1.0
67.35945	1.0
74.31083	1.2
77.23021	1.3
80.79411	1.2
103.00373	38.7
103.04010	6.6
122.45855	1.4
133.05061	54.9
135.04517	5.8
155.04550	1.3
161.02461	7.7
175.06094	20.3
177.05559	2.5
179.03525	22.2
200.16043	1.4
219.05136	5.8
221.04645	10.3
251.05724	2.0
281.06613	8.4
341.08807	18.5
437.61615	1.4
561.14648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1559
Annotation	Vialinin A
Peak:m/z	Relative Intensity
50.56933	0.4
51.87126	0.4
68.95889	0.4
133.02943	0.5
175.33350	0.5
265.05133	0.9
278.05823	0.6
279.06668	7.4
306.05399	0.8
307.06116	6.5
323.05582	13.0
324.06409	100.0
325.07162	6.0
337.12201	0.8
397.10791	2.0
425.10321	2.7
561.15607	65.6
586.32507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1559
Annotation	Vialinin A
Peak:m/z	Relative Intensity
64.64429	0.5
80.30742	0.4
81.95786	0.5
82.16832	0.5
82.24731	0.5
114.86465	0.5
131.43001	0.5
156.42891	0.5
180.97205	0.5
181.95235	0.5
189.01918	0.7
192.84796	0.6
235.07539	0.6
265.04922	0.7
278.05725	0.8
279.06595	6.9
307.06113	7.1
323.05615	13.7
324.06409	100.0
325.07181	1.1
337.12198	1.0
397.10828	3.0
425.10214	3.3
561.15564	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18288	0.9
59.01391	9.9
61.18020	1.0
61.98835	7.4
62.25155	0.9
71.01375	8.3
73.02933	1.6
85.02930	2.1
89.02432	1.8
92.84410	0.9
101.02439	5.0
113.02438	4.3
119.04916	1.0
124.30885	1.0
132.02177	3.8
134.03737	15.7
135.04497	1.7
149.02478	2.2
149.06107	4.7
152.39023	1.1
160.01653	57.4
163.04010	2.0
164.04803	12.0
172.55704	1.2
175.00409	4.0
175.04012	100.0
176.03526	1.4
176.04829	1.8
179.07135	2.1
190.02744	52.8
191.07181	5.6
193.05101	19.8
195.12590	1.1
202.02766	1.2
205.05074	67.1
206.05997	1.8
207.06688	1.2
208.03888	1.1
217.05095	5.6
221.08252	4.1
223.06091	17.0
235.06169	6.2
247.06129	5.7
265.07202	5.9
283.27274	1.1
295.08313	5.5
325.09341	4.7
337.09286	11.1
355.10266	1.5
359.14243	1.1
367.10327	24.4
374.21075	1.1
385.11319	1.6
501.30460	8.5
525.19501	1.9
561.16266	53.7
561.29498	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	1.5
59.01387	35.0
60.01713	1.9
62.53436	1.3
63.88483	1.5
65.20197	1.4
70.90298	1.4
71.01383	18.2
73.02921	7.5
80.99397	1.8
83.99620	1.6
85.02931	10.3
89.02425	7.5
97.33289	1.7
101.02448	13.6
113.02432	11.8
125.26342	1.8
127.03949	3.2
133.02945	2.2
133.75354	1.6
134.02750	1.8
134.03734	46.0
137.02419	2.1
148.45473	2.3
149.02396	9.6
149.06085	25.7
150.03185	7.8
155.03537	2.6
160.01579	10.8
164.04799	26.1
175.03973	27.6
176.01147	19.3
178.02731	54.5
179.07002	2.9
190.02742	26.9
191.03513	41.8
191.05214	3.4
192.04321	24.2
193.05078	66.0
194.02058	2.3
205.05064	40.7
207.06580	10.2
208.03720	13.4
209.04506	11.3
223.06100	30.2
324.09854	3.7
326.77722	1.8
337.09369	16.7
342.07101	1.8
342.10950	9.8
353.08871	20.2
357.13394	16.3
367.06342	2.3
367.10379	24.0
397.83792	1.9
501.17856	38.4
501.29453	16.5
519.18170	7.1
561.15906	100.0
561.29974	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32748	0.6
59.01384	5.5
71.01371	2.8
85.02910	0.9
87.00925	1.0
89.02431	2.7
93.03442	1.2
95.31988	0.6
101.02402	1.3
101.97250	0.7
121.02928	0.8
133.02919	1.3
134.02715	1.3
134.03737	38.7
135.04558	1.0
137.02446	4.1
149.02419	1.0
149.06068	24.4
150.03271	1.0
155.03462	0.7
164.04787	6.8
173.04568	3.8
175.00356	2.9
176.01109	1.0
178.02705	48.6
179.07164	0.7
190.02734	28.4
191.03525	4.5
191.05608	8.5
192.04233	1.1
193.05064	100.0
205.05074	41.8
205.07051	1.1
207.06630	1.2
209.04529	1.0
223.06165	5.0
351.07098	3.0
351.45853	0.7
353.08774	4.2
367.10382	30.5
369.09702	1.1
410.26608	0.7
447.99603	0.7
501.30634	4.2
561.16187	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.65608	1.3
71.35929	1.4
97.62511	1.3
101.02411	1.6
102.11497	1.6
103.00373	27.9
103.04004	2.7
122.50975	1.5
122.91948	1.5
129.01852	2.1
131.04622	1.8
133.05063	58.8
148.24937	1.6
169.53474	1.6
175.06122	19.5
176.14375	1.5
187.29253	1.5
191.05647	2.5
199.02051	1.4
219.05008	9.9
231.03609	3.1
274.23294	1.5
387.07739	16.2
497.22894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51637	0.5
59.01383	6.9
61.98845	5.9
71.01376	3.9
73.02937	0.8
78.22256	0.6
85.02943	2.9
86.00845	0.6
89.02440	6.0
99.00882	1.2
101.02462	4.6
104.76893	0.6
113.02450	4.0
117.03449	1.0
119.05018	49.4
137.02470	0.7
140.60696	0.7
143.03467	0.6
145.02963	19.3
154.28676	0.6
161.04628	0.9
163.04015	100.0
179.03421	0.8
191.05672	1.0
208.94284	0.7
219.95222	0.8
379.32037	0.7
482.97830	0.7
501.30685	6.1
525.19855	62.3
561.30011	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87107	2.5
59.01152	4.3
59.01387	73.3
69.07328	3.0
71.01002	6.0
71.01379	86.2
73.02938	4.4
74.45179	3.7
80.79624	3.0
81.52059	3.4
83.01378	3.3
85.02944	17.0
87.00867	4.6
89.02439	74.5
97.02964	20.0
101.02446	43.8
101.06112	3.3
113.02453	27.6
115.00373	22.0
115.04004	21.5
115.89930	3.1
119.03532	26.0
123.00890	26.1
124.01635	12.4
125.03555	5.0
133.01413	54.1
137.02377	4.5
138.03214	62.2
139.04030	23.8
143.03522	3.3
161.04527	16.8
166.12512	3.4
193.05040	3.6
244.90562	3.4
259.08215	39.5
268.99274	4.0
277.09326	31.5
301.09317	100.0
353.74957	3.3
561.18256	59.5
569.22217	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1832
Annotation	Glomeratose A
Peak:m/z	Relative Intensity
51.21832	0.4
59.01377	3.5
71.01055	0.4
71.01367	4.5
71.95842	0.5
73.02935	0.7
85.02969	0.6
89.02429	3.2
99.88413	0.6
101.02438	4.6
107.01372	0.6
108.02159	0.7
109.02935	8.2
113.02445	2.7
119.03478	0.9
135.00891	3.3
137.02415	0.7
152.01172	3.4
153.01930	46.8
161.04533	0.8
195.02975	2.6
237.04103	0.8
255.05037	4.7
259.08075	0.9
263.11349	2.4
282.56430	0.6
297.06174	1.1
314.78403	0.5
399.12991	100.0
501.27438	1.2
537.06964	0.6
561.18195	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
71.01385	6.3
73.02946	1.5
89.02428	9.0
93.03448	11.4
99.17533	1.1
101.02451	5.0
103.01283	1.2
113.02444	1.6
115.00365	1.8
116.92869	7.0
117.01984	1.4
119.03474	5.9
128.57948	1.4
136.01662	1.7
137.02444	100.0
143.89526	1.2
145.02930	5.7
151.03979	4.9
163.04063	1.9
164.04761	1.2
179.03506	75.1
191.05643	2.5
209.04543	14.8
221.04736	1.4
239.05647	90.3
279.10980	4.8
299.07751	2.0
348.83521	1.4
372.30234	1.3
381.11496	1.5
399.13013	48.2
441.14264	1.8
441.90729	1.2
446.74130	1.3
561.18384	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08627	1.1
52.52798	1.2
53.09561	1.3
59.01390	8.3
64.65085	1.2
71.01383	5.5
73.02960	1.3
89.01928	1.3
89.02438	7.8
93.03443	7.8
96.12522	1.2
101.02454	6.5
113.02445	6.5
118.87530	1.2
119.03500	5.3
122.68252	1.3
135.04503	1.4
136.01703	1.5
137.02448	100.0
151.04086	9.5
151.05089	1.3
163.04012	2.2
165.05582	1.8
179.03522	96.9
207.06668	1.5
209.04552	25.5
239.05643	99.3
279.10852	9.0
299.07681	2.7
387.11865	1.4
399.13043	58.8
441.14075	2.1
458.75140	1.5
501.14642	1.6
561.18408	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
58.00557	1.4
59.01382	100.0
61.98823	10.0
71.01378	54.0
72.99307	2.8
73.02943	52.0
83.01390	14.1
85.02952	20.1
87.00849	2.3
89.02442	36.3
89.98689	1.5
91.20153	1.6
95.01392	3.9
99.00858	1.8
101.02438	61.5
107.75256	1.3
111.49635	1.4
113.02431	30.3
115.03959	2.1
119.03513	14.5
119.05004	2.1
127.03956	1.9
128.21086	1.7
131.03474	3.2
137.90659	1.7
143.03528	3.7
149.04546	6.5
151.44284	1.5
155.03508	3.4
159.04527	2.8
161.04501	16.0
175.03941	2.8
179.05632	9.0
189.05592	3.2
203.61177	1.5
209.11765	1.9
212.76656	1.4
294.08972	16.3
308.07025	1.7
309.11325	3.6
323.09348	3.0
324.10052	7.0
325.20218	2.9
327.12231	3.7
339.12381	24.9
425.27811	1.6
474.77393	1.8
501.17819	39.4
501.30304	16.4
519.18964	6.6
525.19391	1.9
543.26471	1.6
561.19080	11.1
561.28894	9.6
563.68958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.4
61.73291	2.1
61.82013	1.8
61.98841	2.8
64.25526	2.2
71.01369	2.5
77.19371	2.0
120.20223	2.1
130.24361	2.1
149.02402	27.2
152.01178	5.3
163.07603	2.2
164.04793	90.7
179.07146	38.1
193.01471	3.4
200.05736	2.2
208.03789	84.8
222.05392	10.3
223.06111	91.8
237.07722	2.1
305.21503	2.2
403.23315	2.6
463.16141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37358	0.9
59.01380	100.0
61.98839	1.3
71.01379	36.3
71.30592	1.1
72.52148	1.1
73.02943	85.0
75.00876	1.2
79.46597	1.0
80.40895	1.2
83.01378	18.7
83.07376	1.0
85.02956	9.2
86.52689	1.0
88.84251	1.1
89.02444	15.6
95.01376	4.5
101.02436	61.7
112.88573	1.1
113.02446	25.6
116.20262	1.1
119.03450	8.0
125.02438	1.4
131.03485	6.1
139.29593	1.0
143.03540	2.4
149.04567	9.8
159.04546	1.4
161.04558	18.4
162.03148	1.1
176.03578	1.2
182.49161	1.2
189.05518	8.3
204.07991	2.8
221.06688	4.9
293.08121	1.4
294.09048	18.8
295.09680	1.3
309.11383	6.8
323.09317	11.3
324.10071	7.5
327.12003	1.2
339.12378	36.9
357.28854	1.2
441.64377	1.0
487.42484	1.3
501.17877	15.3
501.30322	2.4
512.25330	1.3
560.99310	1.2
561.29022	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1985
Annotation	Melampodinin C
Peak:m/z	Relative Intensity
55.01866	1.2
56.37585	1.1
56.43623	0.9
57.03423	1.2
59.01382	41.3
67.31999	1.1
69.03480	1.2
69.61816	1.2
71.01379	21.6
72.98935	1.2
73.02946	8.5
82.03617	1.1
83.01409	1.8
85.02946	18.2
89.02430	9.6
93.85742	1.3
95.01370	2.8
99.00883	2.6
101.02444	17.6
113.02442	100.0
119.03484	2.9
123.04528	9.3
134.03711	9.4
149.06102	2.9
164.04674	1.3
168.64709	1.4
178.02765	7.5
190.02753	5.4
191.03532	1.6
192.04305	1.4
193.05040	10.2
205.05103	7.2
223.06094	1.7
240.91676	1.3
267.01944	1.4
307.09784	1.7
309.11298	2.7
311.09372	6.6
324.10001	14.8
339.12326	9.1
342.11099	29.3
357.13483	37.4
367.10388	7.4
500.04160	1.6
501.17752	86.0
501.30103	6.1
519.18719	31.1
561.20294	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71566	0.5
59.01380	11.9
61.98805	2.8
71.01382	6.5
72.99274	0.6
73.02911	0.9
82.08176	0.7
85.02936	2.8
89.02443	8.1
92.32123	0.6
99.00887	5.7
101.02451	4.6
104.78238	0.7
105.33846	0.6
113.02412	4.6
117.03410	1.4
119.05016	67.3
127.04056	0.8
129.05591	0.8
145.01866	0.8
145.02953	21.8
155.10730	3.0
161.04498	1.2
163.04010	100.0
171.10197	2.9
179.05530	1.1
199.09578	0.6
217.10800	5.6
217.12570	0.7
325.20096	1.5
397.15103	0.9
501.30609	4.9
521.87366	0.8
561.19415	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27172	1.1
72.15703	1.0
134.03732	1.3
137.68002	1.2
149.02432	21.7
149.06094	1.3
163.03940	1.3
164.04793	100.0
165.01891	1.6
166.02689	4.3
166.30942	1.1
177.05574	2.1
178.06421	1.9
179.07147	41.9
180.04277	2.0
183.06610	2.5
195.06700	1.9
208.03729	2.8
222.05341	5.9
223.06081	1.8
225.07747	1.9
237.07704	6.3
277.07092	1.4
292.09549	2.5
302.38712	1.3
307.11789	2.3
463.16180	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28987	0.4
59.01381	8.0
61.98832	1.0
71.01376	3.7
72.99302	0.9
82.11526	0.5
85.02932	1.0
87.00864	0.7
88.98809	3.9
89.02433	7.8
101.02442	3.7
113.02448	6.1
115.56390	0.6
119.05024	1.2
119.96323	0.6
127.45074	0.6
134.10922	0.6
137.06116	1.0
147.04524	100.0
149.04613	0.6
171.10210	0.8
174.44281	0.5
175.80386	0.6
179.05602	0.7
182.79564	0.5
206.26237	0.6
229.15572	0.6
236.47208	0.7
413.14566	33.7
501.23755	5.1
501.30060	0.9
561.11743	0.7
561.19800	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
68.72906	0.9
68.99570	66.2
69.85083	0.6
71.01381	0.7
105.51799	0.8
112.98562	100.0
131.07179	0.9
134.98387	0.6
135.04527	1.2
175.20001	0.7
221.58044	0.7
283.34320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06933	1.3
59.01104	3.1
59.01382	65.9
70.18116	1.7
71.01377	49.9
73.02935	12.1
79.72868	1.6
82.35214	1.6
83.48824	1.8
85.02954	4.3
89.02437	100.0
91.44491	1.8
96.96011	53.8
99.00869	2.1
101.02450	38.8
113.02449	8.0
119.03484	3.6
129.75868	1.8
131.03508	24.9
149.04550	67.8
160.42072	1.6
161.04527	3.3
163.00229	1.5
191.05626	13.9
212.91202	1.9
293.08688	2.4
311.09894	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	57.3
71.01380	43.3
73.02937	8.9
83.01409	1.3
85.02950	7.6
89.02438	100.0
90.56776	0.9
96.96004	9.0
101.02448	37.2
113.02411	8.5
119.03499	4.3
131.03491	22.6
143.03439	1.1
149.04547	59.1
161.04561	2.1
189.43967	0.9
191.05637	12.6
251.07680	2.0
281.08832	1.7
293.08627	1.5
311.09909	13.8
388.98132	1.0
429.61603	1.1
471.92218	1.0
504.06586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01521	1.2
54.53915	0.8
56.69802	0.8
57.94592	1.1
59.01381	61.2
61.64967	0.9
71.01376	39.3
73.02938	10.3
83.01386	1.1
85.02956	5.8
87.00867	1.4
88.45361	1.3
89.02438	100.0
93.03497	1.2
101.02432	35.8
104.35627	0.9
113.02451	9.2
119.03468	2.0
125.02418	1.1
131.03494	24.2
149.04549	57.8
161.04535	2.1
191.05614	16.4
221.06712	1.3
225.66237	1.3
251.07683	1.5
251.24205	1.1
263.07486	1.3
281.08398	1.1
293.08746	2.6
297.21463	1.0
308.52945	1.2
311.09897	15.8
362.73590	1.2
501.07318	1.2
501.30453	6.2
561.16583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2864
Annotation	Scortechinone A
Peak:m/z	Relative Intensity
55.37791	1.3
59.01377	3.6
63.94776	1.3
78.06258	1.6
96.96015	7.6
110.00075	3.4
137.99590	3.5
138.08302	1.8
152.16467	1.6
153.01930	64.5
181.05031	1.5
188.45662	1.5
192.64220	1.6
279.23154	5.1
284.27032	1.9
293.25165	1.6
340.05731	2.8
391.11905	41.8
444.18234	1.8
447.46521	1.7
448.19214	2.3
459.18066	2.0
491.83328	2.0
529.26074	11.9
530.26776	2.0
561.28778	100.0
561.37250	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41454	3.4
59.01379	35.8
61.98839	4.2
62.02359	3.2
71.01373	6.6
85.02973	4.1
89.02433	6.5
101.02446	6.4
118.22064	3.6
119.90296	4.8
149.13303	4.7
166.91324	4.3
167.10760	8.7
174.77094	3.6
195.10228	3.7
203.18089	6.1
207.13921	43.8
247.17044	62.8
253.09300	43.5
265.18088	100.0
311.22098	5.1
483.26208	14.8
501.26993	23.8
556.60522	4.1
561.33466	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14332	2.3
59.01383	19.9
61.98830	3.3
66.41228	2.0
71.01395	4.0
83.21545	2.0
89.02441	4.3
97.06525	2.3
100.01524	2.4
101.02432	9.8
132.11571	2.1
167.10770	34.2
172.09926	2.5
195.10329	4.8
199.94748	2.6
203.18033	3.2
206.09328	2.8
247.17062	15.5
253.09325	24.8
265.18106	100.0
376.43839	2.5
407.36133	2.4
416.61240	2.5
501.26935	21.6
561.33563	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
59.01382	4.3
61.98831	0.9
67.01904	3.5
71.01377	3.2
73.02939	0.6
75.00863	4.7
83.01363	0.6
85.02956	3.3
88.98806	0.8
89.02428	2.7
101.02435	4.1
101.13508	0.4
111.00873	100.0
113.02444	2.3
126.94582	0.4
160.74251	0.5
163.45898	0.5
186.93367	0.6
191.05711	0.5
237.61981	0.6
449.27646	13.8
483.29617	0.6
501.30643	2.4
561.29376	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84154	0.7
59.01374	4.1
61.98830	1.1
62.47758	0.9
67.01897	3.4
67.32114	0.8
67.54232	0.8
71.01378	1.7
88.98813	9.4
98.02006	1.1
101.02425	2.1
111.00871	100.0
124.13067	1.1
142.75883	1.0
175.17723	1.0
177.02330	0.9
203.13602	1.1
297.68347	1.1
340.09442	1.0
381.51706	0.9
432.96530	1.1
449.27695	15.6
501.30740	2.1
561.29395	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3202
Annotation	Schweinfurthin B
Peak:m/z	Relative Intensity
53.86137	9.1
59.56078	9.4
68.03211	10.0
70.04179	7.9
78.59058	8.9
93.56269	9.0
110.04645	10.1
114.05599	75.8
115.05943	11.8
199.42511	10.5
259.77838	11.4
321.22943	12.2
399.39182	9.9
561.32190	100.0
561.41187	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3208
Annotation	Schweinfurthin B
Peak:m/z	Relative Intensity
54.23462	12.2
58.02962	9.9
59.01365	11.3
62.03835	10.5
68.09821	11.4
73.64547	10.8
83.69267	10.3
151.78059	11.7
164.33453	13.1
166.43327	13.2
331.40717	14.3
450.81519	12.9
477.86176	15.3
561.32190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20440	0.4
57.03469	0.4
57.19497	0.5
59.01384	73.5
61.98848	0.5
62.10334	0.4
71.01051	0.6
71.01382	8.3
73.02943	4.1
83.01385	0.6
85.02962	4.6
89.02441	2.6
95.01420	0.6
99.00862	1.9
101.02440	7.6
108.05557	0.5
113.02444	4.6
119.03416	0.6
159.02948	0.6
161.04564	0.7
191.05518	0.8
210.71707	0.6
249.77545	0.5
321.09473	0.5
425.76849	0.5
501.30823	1.9
561.32892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	71.8
71.01372	7.7
73.02939	3.5
79.45120	0.6
83.01383	0.9
85.02966	3.6
87.00874	0.7
89.02432	1.5
92.95731	0.7
96.91572	0.7
99.00854	1.1
101.02440	10.1
108.43791	0.6
113.01771	0.7
113.02437	5.6
115.15983	0.6
119.99532	0.7
121.71892	0.6
129.01883	0.7
161.04520	0.8
171.10260	1.1
191.05551	0.9
193.05170	0.8
209.11697	1.0
214.58862	0.8
229.03891	0.7
274.57095	0.7
279.23309	1.1
352.00790	0.7
366.22864	0.7
397.20724	0.7
561.32916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44740	0.7
54.25807	0.6
55.01885	0.9
57.03452	0.7
58.31078	0.8
59.01384	55.9
61.89694	0.8
65.48237	0.8
71.01377	21.6
72.99294	0.7
73.02944	6.9
83.01395	1.5
85.02947	6.0
89.02440	12.4
95.01387	1.1
99.00881	1.8
101.02451	18.2
109.63085	0.8
113.02446	10.4
115.04044	0.7
117.03449	1.4
119.03484	3.7
119.05021	23.0
134.17233	0.8
145.02954	41.0
145.04103	1.5
147.04443	1.5
152.72879	0.8
159.03067	0.7
161.04547	1.9
163.02638	1.6
163.04005	35.8
187.31235	0.8
189.05563	1.0
193.06578	0.8
463.16180	24.2
501.30548	7.2
515.47021	1.0
529.12463	0.9
543.31812	1.4
561.20050	14.5
561.32874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01375	15.5
73.02930	3.4
77.61468	1.6
85.02942	7.4
85.15427	1.6
89.02437	7.6
92.93829	2.0
96.96014	2.7
97.62712	1.8
98.76475	2.4
101.02434	15.4
101.70863	1.6
101.97302	2.0
113.02415	7.1
119.03435	2.8
122.06128	1.8
134.03784	2.2
161.04533	2.3
191.05635	4.4
206.23260	1.9
403.13831	2.3
407.91577	2.4
458.13925	2.1
501.30844	48.4
561.32898	33.7
581.20288	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68706	1.0
57.16244	1.0
63.32312	1.2
72.75211	1.1
72.75764	1.1
76.30661	1.3
78.95908	2.2
104.19181	1.2
152.99620	4.9
157.73988	1.2
201.51764	1.4
249.71587	1.4
279.23328	100.0
292.66797	1.4
504.31073	70.3
508.62515	1.6
561.33160	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61307	1.1
51.10313	1.1
54.58637	1.6
73.72343	1.3
78.02024	1.5
78.95908	8.8
83.97793	1.3
88.37549	1.3
88.82052	1.3
144.67070	1.5
152.86385	1.7
152.99541	5.1
168.04320	2.2
179.24364	1.4
223.90660	1.5
224.06937	7.1
265.07672	1.5
279.23318	100.0
339.82104	1.5
504.23700	2.9
504.31076	84.9
561.33075	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31327	0.5
50.62212	0.6
54.53516	0.5
57.19394	0.5
59.01381	67.2
67.07880	0.5
71.01377	2.6
89.52698	0.6
101.02464	1.2
108.41692	0.7
113.02436	0.7
121.11272	0.5
154.98265	0.7
172.74721	0.6
255.23315	100.0
263.11179	1.9
339.68939	0.7
410.34720	0.7
501.34503	3.9
561.36749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79139	0.3
59.01382	46.4
61.40629	0.4
63.55336	0.4
68.07526	0.4
71.01376	2.6
83.14867	0.4
89.02420	3.0
92.23164	0.4
101.02438	2.7
101.68152	0.5
113.02431	2.0
119.03496	0.6
122.60242	0.4
151.26781	0.4
161.04582	0.9
190.10187	0.4
255.23318	100.0
263.11328	3.6
269.25000	1.5
349.02188	0.4
501.34479	6.3
572.60858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15486	4.2
59.01372	4.3
61.98827	28.4
63.85812	3.7
69.37305	5.6
91.43358	4.3
94.87223	4.8
191.66205	4.1
200.63966	4.3
207.46281	4.4
320.05780	20.9
334.03534	34.1
349.06012	6.8
364.08328	100.0
457.67154	4.9
544.21082	20.3
562.11505	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1363
Annotation	Pradimicin O
Peak:m/z	Relative Intensity
58.65702	1.1
58.72065	1.2
59.02889	1.1
59.30667	1.1
60.12431	1.0
65.03944	1.6
66.28468	1.2
83.05025	6.7
87.00867	100.0
93.03445	41.8
96.96004	2.0
111.04517	19.3
137.00798	1.5
137.02443	31.6
151.04024	6.4
155.03531	14.0
243.05118	23.1
276.10156	2.2
304.09943	6.3
306.11377	5.0
316.09848	1.9
332.09250	2.2
334.10904	9.7
344.09271	2.3
357.13470	2.1
388.64987	1.5
401.90979	1.4
401.96640	1.5
406.09338	35.8
459.04004	1.5
518.14874	11.6
562.13599	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93572	0.4
59.01376	0.8
68.08075	0.5
72.29956	0.4
85.02951	0.7
87.00869	100.0
104.13999	0.5
113.02451	17.1
126.16708	0.5
132.43051	0.5
148.41698	0.5
187.98685	0.4
280.19876	0.6
323.82364	0.5
334.87854	0.5
474.12524	3.3
562.14368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89366	0.7
59.01384	10.8
71.01379	6.2
89.02451	12.1
94.02939	0.7
97.10290	0.8
101.02444	5.8
104.11891	0.8
105.49887	0.8
113.02441	1.7
119.03493	4.9
130.08757	1.5
133.01563	5.7
150.04213	100.0
180.06772	0.8
191.05560	1.4
279.10837	22.6
282.08472	60.4
562.19830	0.9
567.84650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2094
Annotation	Ravidomycin
Peak:m/z	Relative Intensity
53.93126	1.6
55.06389	1.8
56.13124	1.7
58.02016	1.8
61.98835	20.9
74.03347	2.0
78.95889	2.2
81.90322	1.9
94.91164	1.9
195.14531	1.9
197.57256	2.1
249.61530	2.3
328.06198	2.7
342.07697	3.1
343.08530	4.0
344.09241	2.8
356.09344	22.6
379.60184	2.3
388.12057	3.6
426.17050	4.1
452.15045	4.0
460.17722	4.8
468.18326	2.9
470.16122	10.0
485.18546	10.0
486.19293	3.0
488.17078	15.8
500.20044	2.9
502.18552	14.0
503.19562	10.7
518.21808	76.5
562.20837	100.0
562.28558	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.0
60.77869	0.7
70.23052	0.7
71.03278	0.9
75.74915	0.8
84.58495	0.7
86.26318	0.8
103.92889	0.7
105.77227	0.7
135.04523	3.3
137.02386	1.0
149.02461	1.0
163.06445	1.0
175.34016	0.8
176.07205	6.4
190.08766	9.8
279.06470	1.0
310.10925	13.2
324.12399	7.6
325.13245	11.9
326.14017	25.9
340.15576	100.0
391.84711	1.0
400.17795	1.2
488.19299	11.9
502.20926	27.5
504.82358	0.8
562.23181	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77133	0.7
56.82777	0.9
59.01375	1.8
59.43101	0.7
61.98825	1.8
71.01379	3.7
79.57767	0.9
92.80019	0.8
101.57643	1.0
106.74434	1.0
111.08146	1.1
152.21773	0.8
161.53653	0.9
165.12854	17.3
183.13905	100.0
188.74388	0.9
198.30977	0.9
198.57732	0.9
200.41740	1.0
227.12903	23.1
305.07111	4.0
320.09396	1.0
344.87720	0.9
366.92719	0.9
394.93344	0.9
477.23392	2.0
562.24536	86.4
562.31305	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.5
61.98828	8.8
63.09549	1.2
76.87316	1.1
78.95898	1.3
82.62880	1.2
92.23162	2.9
92.76414	1.5
92.90264	1.1
98.60819	1.3
119.77506	1.2
122.02476	72.9
152.74312	1.4
155.12622	1.2
251.14459	6.8
255.10301	8.4
258.82623	1.3
318.26926	1.4
347.56049	1.5
375.41470	1.5
379.22748	32.3
382.21323	1.7
397.23883	28.2
439.24997	8.4
520.28168	1.9
562.28143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.3
61.01819	0.6
61.98831	100.0
71.01376	2.0
71.82964	0.4
73.02957	0.4
79.45780	0.4
89.02456	1.7
99.16242	0.4
99.82476	0.5
101.02451	1.0
113.02443	0.8
119.52437	0.4
122.60303	0.5
127.03996	0.6
134.03714	5.3
135.04108	2.4
149.06099	3.5
150.03322	0.7
150.06479	0.9
151.03584	0.5
163.04050	0.5
164.04803	1.0
175.00359	0.4
176.01180	2.1
177.01561	0.5
178.02708	6.8
179.03123	2.6
179.77277	0.5
190.02657	1.1
191.03464	5.1
192.04132	4.0
193.05006	6.5
194.05388	3.9
205.05006	4.6
206.05428	1.9
207.06471	0.6
209.04509	0.7
223.06297	0.6
224.06520	0.8
267.11728	0.5
287.93414	0.5
353.08926	0.9
354.09363	1.9
367.10446	0.7
368.10779	2.1
479.16031	0.6
502.18219	1.1
502.29611	3.3
562.16370	15.4
562.29761	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80016	1.0
57.01784	1.2
61.98832	100.0
89.81273	1.2
90.24407	1.1
96.76714	1.2
125.09715	1.5
133.12366	1.6
139.92972	1.4
269.84744	1.5
295.57971	1.3
312.57449	1.5
334.67017	1.6
354.41217	1.1
466.84088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01384	6.0
63.48663	0.9
71.01385	6.0
75.00890	1.9
75.82993	1.0
77.11407	0.9
81.51640	1.0
83.01368	1.1
85.02950	74.6
87.00845	1.4
89.02436	4.5
94.96937	1.1
101.02401	1.5
103.00361	1.1
111.00873	4.1
113.59086	1.2
119.29216	1.1
129.01938	6.4
133.01430	5.5
135.04539	4.4
137.02469	1.1
161.04482	1.1
173.00894	2.2
179.03514	5.6
191.02010	30.2
191.05585	12.9
209.03049	100.0
353.08917	10.0
387.47400	1.2
563.15344	1.7
569.32483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.3
60.21275	0.9
63.44226	1.0
71.01366	4.8
72.99304	43.2
73.02907	1.3
74.72752	1.0
75.00867	1.0
83.22359	0.9
85.02933	1.7
87.00866	11.2
89.02441	1.6
93.03424	4.0
101.02441	2.3
107.45508	1.0
113.02470	1.4
123.04527	1.0
125.81435	1.1
131.07124	5.0
133.02924	1.1
136.44121	1.1
146.03725	8.1
147.04521	29.3
150.03175	1.6
159.04512	2.3
162.03242	1.4
163.04004	5.2
172.09825	1.3
173.04567	2.3
175.04010	2.3
190.02763	15.2
191.03531	15.2
191.05600	75.8
205.05096	2.0
221.08208	1.4
223.06136	4.6
231.12225	1.5
237.07826	1.1
256.07410	10.5
265.07104	4.7
267.06729	2.3
268.07446	13.6
271.09775	18.8
283.09747	12.2
284.22665	1.2
294.05359	2.6
298.08377	2.4
301.10742	4.3
309.07745	1.7
311.05530	2.5
312.06470	2.4
320.45663	1.1
327.08795	16.8
345.09845	4.3
371.07788	7.7
389.08633	4.6
563.14191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90002	2.0
53.24527	2.4
54.49753	2.4
56.10402	2.4
57.04418	2.3
72.99306	52.9
85.02950	3.2
92.22664	12.2
101.36292	2.8
146.03709	6.6
147.04532	22.9
150.03204	5.0
163.03993	4.4
173.04559	3.9
190.02731	13.6
191.03554	14.1
191.05598	90.0
256.07477	11.7
268.07413	14.7
271.09796	31.0
283.09793	10.7
327.08746	23.2
345.09912	5.9
371.07736	4.1
389.08496	9.0
483.00504	2.8
563.14124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.5
63.81121	0.7
68.44605	1.0
68.99559	1.5
70.19370	0.8
71.01369	2.0
72.99304	40.5
75.00872	2.3
75.08080	1.0
82.15392	0.9
85.02946	5.0
87.00867	2.1
89.02421	1.1
93.03439	2.2
101.02452	1.3
112.98571	2.0
115.03970	1.4
120.18653	0.9
127.04025	1.2
127.98452	0.9
146.03798	7.5
147.04520	23.2
150.03232	1.4
151.03929	1.3
159.04567	3.2
162.03207	1.0
163.03996	4.2
173.04581	1.3
175.03896	1.3
190.02731	12.7
191.03557	14.8
191.05611	81.5
205.05002	4.0
207.06653	6.5
221.08241	1.3
223.06062	1.9
239.69591	0.9
256.07455	9.7
267.06583	3.7
268.07504	14.3
271.09863	23.2
283.09793	12.4
294.05280	4.3
298.08389	3.9
301.10623	3.3
309.07562	1.8
312.06467	3.6
327.08801	21.1
345.09818	4.4
357.10303	2.1
361.42578	1.2
371.07761	7.4
389.08810	2.2
453.22922	1.0
479.43805	1.1
503.17419	3.3
563.14221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01379	9.4
59.88897	0.8
71.01382	5.5
72.99306	43.3
73.02931	1.2
84.17445	0.9
85.02945	23.4
87.00861	4.8
87.04507	1.0
87.19532	1.0
89.02436	4.9
93.03439	4.4
99.04552	1.0
101.02434	4.8
111.04549	1.2
113.02457	4.6
123.04504	2.5
125.62982	0.9
127.03993	1.3
131.03511	15.1
145.03018	1.1
146.03737	6.2
147.04529	25.8
150.03181	2.5
151.04065	1.5
159.04500	5.3
162.03137	1.4
163.04001	5.3
173.04535	2.1
173.08221	1.5
175.04041	1.6
190.02724	11.9
191.03563	13.4
191.05630	75.0
205.05156	2.3
256.07452	11.5
266.05725	1.6
267.06714	5.8
268.07404	13.9
271.09793	22.8
283.09750	11.8
294.05411	4.3
298.08450	4.0
301.10803	4.2
309.07794	1.5
311.05682	1.9
312.06342	4.4
323.32697	1.1
327.08749	21.9
329.14069	1.2
332.79092	1.0
345.09683	5.8
371.07715	9.4
389.08987	2.1
426.02704	1.0
465.19702	5.8
563.14227	100.0
563.23572	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45728	0.6
61.98835	100.0
67.34168	0.5
71.16864	0.5
86.41453	0.5
89.02415	0.7
92.26681	0.6
103.77883	0.7
178.06329	0.8
191.05609	0.9
248.79692	0.6
306.57986	0.6
308.05716	11.2
323.08005	12.1
329.13889	1.1
338.10413	23.2
408.15677	0.7
438.95258	0.7
500.15805	14.8
549.29590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39269	0.6
59.01374	6.0
61.55513	0.6
69.03450	0.8
71.01366	7.0
72.99306	8.4
73.02947	1.1
75.00868	39.5
77.87524	0.6
85.02937	1.3
87.00870	8.1
87.54249	0.8
89.02455	5.4
89.10447	0.7
93.03465	0.9
97.02958	1.4
101.02470	5.8
103.98322	0.7
110.77354	0.8
113.02419	3.0
119.03507	3.5
123.04540	1.1
131.03517	1.4
138.02039	0.7
146.03743	1.3
147.04520	4.8
149.02405	1.7
161.04599	1.6
163.04047	0.9
164.04779	9.6
177.04118	1.7
179.05731	1.1
179.07117	2.4
190.02672	7.7
191.03549	10.0
191.05641	15.6
205.05066	30.7
206.05907	4.1
208.03731	1.7
209.04567	1.5
221.06311	0.9
221.08429	5.6
223.06111	20.9
237.07571	1.4
265.07230	13.1
267.06342	1.2
268.07513	1.6
271.09790	5.0
283.09775	1.2
293.19669	1.0
295.08066	1.3
325.09409	1.8
326.77258	0.8
327.08780	4.0
357.10471	15.2
427.12601	1.6
447.83795	0.9
531.13654	1.0
563.16071	100.0
573.02832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12202	0.8
59.01387	7.1
69.03436	3.2
69.79468	0.8
71.01389	8.5
72.99303	1.2
73.02940	1.6
74.83106	0.7
75.00866	42.5
85.02945	1.7
87.00857	4.9
89.02435	7.5
97.02928	4.6
99.00867	0.8
101.02436	4.8
105.42130	0.8
109.85973	0.7
113.02386	3.7
115.04000	1.3
116.92793	1.1
119.03515	2.8
141.01979	1.4
149.02419	2.0
161.04501	1.4
164.04794	12.5
176.01100	0.8
177.04036	5.7
179.07109	1.5
190.02742	6.6
190.04250	0.8
190.75153	0.8
191.03494	5.6
191.05618	1.7
201.11456	0.8
205.05078	33.6
206.05850	3.2
208.03751	1.5
209.04536	3.0
221.08247	4.7
223.06128	23.0
237.07707	1.7
251.05644	0.9
255.65022	1.0
265.07278	9.3
325.09314	1.4
357.10489	19.7
427.12381	3.9
531.13586	1.2
545.15155	1.9
563.16174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30341	0.6
59.01379	12.4
69.03437	1.2
71.01379	7.7
72.99298	0.8
73.02929	5.3
74.45135	0.7
75.00460	1.4
75.00867	29.3
75.95485	0.8
85.02946	1.9
87.00874	17.4
88.61451	0.7
89.02443	11.0
89.03706	0.7
97.02962	1.9
101.02451	8.1
110.72406	0.8
113.02426	5.4
119.03488	4.8
134.03751	1.0
140.02922	0.9
141.01897	0.8
149.02426	1.5
164.04790	9.7
165.05554	5.5
173.04404	0.9
175.02507	1.1
177.04063	3.9
178.02658	1.2
179.05594	5.4
179.07057	2.6
190.02740	4.1
191.03493	4.5
191.05531	1.0
193.05066	4.4
201.60184	0.8
205.05090	25.0
206.05757	3.8
221.08316	10.7
223.06160	23.9
237.07701	1.8
247.06239	1.1
250.04674	1.2
265.07211	15.9
295.08133	1.9
308.00455	0.8
325.09219	1.9
357.10437	14.7
389.12689	1.4
427.12479	3.6
503.25494	1.0
531.13293	1.3
545.15027	3.2
563.16241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12202	0.8
59.01387	7.1
69.03436	3.2
69.79468	0.8
71.01389	8.5
72.99303	1.2
73.02940	1.6
74.83106	0.7
75.00866	42.5
85.02945	1.7
87.00857	4.9
89.02435	7.5
97.02928	4.6
99.00867	0.8
101.02436	4.8
105.42130	0.8
109.85973	0.7
113.02386	3.7
115.04000	1.3
116.92793	1.1
119.03515	2.8
141.01979	1.4
149.02419	2.0
161.04501	1.4
164.04794	12.5
176.01100	0.8
177.04036	5.7
179.07109	1.5
190.02742	6.6
190.04250	0.8
190.75153	0.8
191.03494	5.6
191.05618	1.7
201.11456	0.8
205.05078	33.6
206.05850	3.2
208.03751	1.5
209.04536	3.0
221.08247	4.7
223.06128	23.0
237.07707	1.7
251.05644	0.9
255.65022	1.0
265.07278	9.3
325.09314	1.4
357.10489	19.7
427.12381	3.9
531.13586	1.2
545.15155	1.9
563.16174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87165	2.1
56.83027	1.6
59.01385	36.3
59.12792	1.9
65.22698	2.1
66.86108	1.8
71.01382	17.5
72.99300	4.5
73.02968	2.2
78.17533	1.9
83.01386	2.5
87.00864	3.9
89.02443	10.5
101.02448	5.2
113.02452	3.5
133.05089	2.6
147.04521	2.6
149.02419	14.5
162.03238	99.0
164.04800	51.2
177.05579	93.3
179.07150	19.3
190.02699	30.4
191.03505	12.1
201.29793	2.1
205.05067	62.7
206.05899	37.2
207.02968	3.0
208.03743	20.3
209.04529	9.0
221.08215	56.0
223.06140	83.0
237.07657	9.9
248.06184	2.2
250.04930	16.0
251.05667	8.9
265.04480	3.8
265.07224	100.0
281.06723	2.7
289.03726	3.0
295.08261	38.7
311.07779	2.5
325.09323	52.2
371.09778	3.6
385.11459	57.6
405.21323	22.7
465.27795	2.7
523.26666	2.4
545.29779	2.9
563.17896	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1777
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
52.21296	0.6
55.16546	0.5
56.71945	0.5
58.22227	0.6
59.01376	2.9
62.88459	0.6
66.40056	0.6
71.01379	5.7
73.02948	2.2
80.41193	0.6
80.43538	0.6
85.02956	0.9
89.02447	1.1
92.22505	0.9
99.00883	0.9
101.02444	4.5
107.81624	0.6
113.02443	3.6
114.05602	1.3
126.32254	0.8
133.02937	6.0
134.03763	1.5
135.04523	81.9
161.01065	1.4
161.02440	50.4
161.04590	3.1
179.03502	62.4
181.05095	1.1
269.10236	1.1
563.17767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16001	0.6
58.64337	0.6
59.01102	1.4
59.01382	23.3
71.01382	21.8
73.02944	7.2
73.61712	0.7
83.01356	0.8
85.02941	3.3
87.00861	1.5
89.02440	43.5
98.44967	0.7
99.00256	1.2
99.00880	28.7
101.02447	16.6
113.02457	9.7
119.03503	6.8
119.05016	9.7
121.01802	0.7
125.02440	1.0
131.03496	8.8
143.03471	1.5
148.97870	0.9
149.04521	7.5
161.04515	1.7
188.08376	0.8
191.05638	10.4
299.11481	1.6
351.47534	0.8
431.15701	6.8
563.19897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54312	0.9
56.76687	0.9
59.01383	28.8
59.11008	1.1
71.01376	25.5
72.99301	1.1
73.02949	6.9
76.32122	1.2
85.02937	1.2
85.31443	1.2
87.00859	1.8
89.02438	55.8
99.00872	28.8
101.02435	18.8
112.98810	1.5
113.02437	11.9
119.03500	11.8
119.04958	8.9
125.02415	2.1
131.03497	12.1
149.04521	8.2
161.04565	1.9
191.05598	12.4
299.11478	1.8
431.15878	7.0
432.97897	1.3
563.19983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82674	0.8
59.01383	37.2
60.52374	0.8
62.20628	0.8
65.89323	0.8
71.01385	9.7
72.77673	1.0
78.04514	0.8
83.51275	0.8
85.02974	1.4
89.02452	22.7
89.19479	0.9
101.02454	6.3
113.02444	5.5
119.03473	6.9
120.93129	1.0
143.51317	0.9
158.93407	0.9
161.04567	1.9
165.01869	6.7
179.04124	1.2
179.05635	29.6
180.04295	25.8
195.06650	100.0
197.04601	4.7
243.08783	32.3
244.24582	0.9
445.95334	0.9
505.10266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
57.03453	2.7
59.01107	2.3
59.01384	40.5
69.78812	1.6
71.01382	100.0
73.02950	29.1
82.11295	1.9
83.01402	12.9
85.02950	48.5
87.00879	1.8
89.02438	21.1
95.01384	8.8
99.00883	9.8
101.02453	48.3
102.81979	1.7
113.02447	52.1
115.03959	2.6
119.03544	3.0
127.03563	1.9
143.03352	2.3
159.02927	6.1
161.04564	50.3
179.05713	1.8
190.09979	2.2
198.32774	1.6
203.10817	4.3
263.30029	2.0
285.07718	7.7
300.09930	14.2
313.21729	11.9
315.12350	7.4
353.10410	2.3
357.20654	7.8
371.14777	2.5
519.25946	9.8
563.25104	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2143
Annotation	Woorenoside I
Peak:m/z	Relative Intensity
50.25609	1.6
53.97007	1.7
59.01383	50.0
61.98848	2.8
64.01173	1.7
66.54648	1.8
66.57535	1.8
71.01388	14.7
73.02951	11.8
83.01377	4.3
85.02946	8.5
87.00874	3.7
89.02448	14.0
95.01386	2.6
101.02427	20.0
113.02441	17.0
123.05158	1.8
149.04478	3.3
151.03966	2.8
153.81921	2.0
165.05460	2.5
165.32990	1.9
181.26125	1.7
203.56364	2.3
244.05202	2.1
281.08255	17.2
282.08966	7.6
283.09866	4.4
293.08237	2.8
295.09818	3.7
302.08075	2.4
311.09235	2.6
314.11710	14.3
315.12549	4.3
326.11526	17.7
327.12592	13.4
329.13998	28.7
341.10330	2.6
341.13821	15.4
343.11908	3.6
355.11923	9.6
369.13446	2.9
371.14981	3.7
373.31866	2.2
443.13605	2.6
447.29608	2.3
455.13412	4.6
458.15738	15.1
470.15781	9.9
473.19095	18.1
476.16968	18.4
485.18069	23.9
488.16901	10.8
491.19278	27.8
503.19257	27.0
533.20428	100.0
545.20319	90.0
563.23535	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76876	0.6
53.96017	0.4
59.01383	8.3
62.67200	0.5
63.14270	0.6
71.01381	4.5
73.02918	1.0
85.02946	0.8
89.02439	10.9
96.96006	0.8
101.02450	3.5
113.02464	1.0
121.02930	0.8
131.03473	2.3
136.05302	1.1
149.02405	0.6
149.04535	3.9
150.03171	1.9
158.03754	0.8
159.04512	2.8
160.05292	12.9
161.05988	0.6
163.04021	2.6
164.04799	3.9
173.06088	2.2
174.06903	0.7
174.25752	0.5
175.07645	29.9
176.04694	1.0
177.05556	5.8
178.06361	15.2
191.93416	0.6
192.07921	12.6
193.08755	3.9
201.38203	0.6
269.08212	3.1
281.08255	0.8
299.09317	4.4
299.12314	0.6
311.09274	6.3
314.11606	14.9
326.11691	6.1
329.13974	100.0
341.10208	1.1
341.13870	7.6
356.12772	1.4
359.15042	11.2
368.12460	1.0
371.14996	2.8
381.02985	0.6
383.15085	1.1
503.19580	0.8
503.25241	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10905	0.4
59.01369	0.8
59.36512	0.5
70.11279	0.6
72.35489	0.5
101.12859	0.5
164.12254	0.6
178.86368	0.5
248.81194	0.5
251.20248	0.6
341.27383	0.6
364.96786	0.6
419.22382	2.6
420.74188	0.6
432.23303	0.8
446.20694	4.1
447.25635	3.5
460.22729	12.5
475.17807	6.9
475.25076	10.4
490.20178	100.0
519.23840	5.9
563.23090	38.7
563.43268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45030	1.2
55.31227	1.2
56.73739	1.3
59.01388	16.3
59.89029	1.3
63.47939	1.4
71.01018	1.9
71.01381	43.2
72.99300	10.1
73.02601	1.2
73.02940	13.1
85.02943	14.8
89.02428	10.4
93.99232	1.3
97.02938	3.1
99.00865	3.7
101.02451	30.0
108.91372	1.4
113.02461	16.5
114.91413	1.6
115.00357	8.1
115.04005	21.3
125.02490	1.6
130.77888	1.7
133.01419	7.7
133.05052	2.3
143.03482	2.4
159.02989	5.5
161.04567	35.5
294.43066	1.5
315.18201	37.6
326.11716	1.5
447.22467	57.1
503.19302	7.7
519.25653	2.0
563.23553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83242	1.4
59.01381	8.8
59.39757	1.3
61.98840	2.9
63.03735	1.3
71.01384	35.1
72.21973	1.2
73.02958	11.3
85.02953	8.2
87.54749	1.6
89.02460	9.8
99.00883	3.0
101.02444	30.6
113.02446	15.8
115.00380	2.1
115.03991	1.9
124.64209	1.3
125.02425	2.3
131.03571	2.2
131.47134	1.5
133.01511	2.2
136.51978	1.3
138.85422	1.4
143.03520	2.4
159.02948	2.6
161.04556	39.6
228.28625	1.6
253.09148	1.9
315.18210	41.2
327.21719	2.2
447.22430	100.0
503.19177	6.5
563.23676	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08200	1.1
58.12096	1.2
59.01380	61.7
59.35799	1.4
64.14156	1.6
66.32900	1.4
71.01012	2.0
71.01380	52.8
71.01775	2.1
72.99276	6.0
73.02941	7.8
84.15079	1.4
85.02928	6.4
89.02437	100.0
92.45770	1.3
95.01318	1.5
101.02443	57.4
113.02451	32.6
116.38819	1.5
119.03492	36.4
125.02383	3.4
128.92863	1.5
131.03479	7.1
143.03458	6.4
149.04488	2.3
161.04582	21.6
179.05611	63.1
191.05513	1.8
221.06683	16.7
323.09921	1.9
341.10767	6.9
391.78802	1.7
563.14777	5.5
563.23401	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01384	15.2
66.58546	0.7
71.01373	9.1
73.02950	1.0
75.53045	0.7
85.02943	1.9
87.00878	3.4
89.02435	22.2
92.23063	0.7
96.75253	0.8
99.08289	0.7
101.02428	14.0
107.05034	3.6
113.02422	7.2
119.03500	9.9
120.05780	1.2
125.09722	0.7
135.04489	1.6
151.06108	12.6
161.04547	1.8
161.09709	11.3
161.13377	3.5
163.11284	3.8
173.04535	1.0
179.05647	3.2
179.10789	0.9
187.11284	12.0
188.92824	0.8
189.09195	6.8
191.05742	2.8
203.10789	1.1
205.12321	3.1
207.10306	1.6
249.11583	1.0
313.11420	3.6
503.24887	1.2
563.23511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08200	1.1
58.12096	1.2
59.01380	61.7
59.35799	1.4
64.14156	1.6
66.32900	1.4
71.01012	2.0
71.01380	52.8
71.01775	2.1
72.99276	6.0
73.02941	7.8
84.15079	1.4
85.02928	6.4
89.02437	100.0
92.45770	1.3
95.01318	1.5
101.02443	57.4
113.02451	32.6
116.38819	1.5
119.03492	36.4
125.02383	3.4
128.92863	1.5
131.03479	7.1
143.03458	6.4
149.04488	2.3
161.04582	21.6
179.05611	63.1
191.05513	1.8
221.06683	16.7
323.09921	1.9
341.10767	6.9
391.78802	1.7
563.14777	5.5
563.23401	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.0
71.01376	30.1
73.02946	7.2
82.73375	1.4
85.02933	7.5
89.02440	38.0
101.02438	30.3
113.02441	21.3
119.03490	18.5
119.07123	3.2
120.87051	1.4
131.03494	2.0
133.01407	5.7
133.14853	1.3
143.03622	1.6
148.67079	1.5
149.83122	1.5
159.03130	1.7
161.04588	15.6
179.05571	3.2
181.05040	1.9
182.88705	1.4
183.05573	1.5
281.12442	100.0
392.73349	1.7
432.88684	1.8
482.59399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2637
Annotation	Morinol A
Peak:m/z	Relative Intensity
59.01373	11.3
61.98825	29.3
66.94843	6.9
81.37596	6.8
86.06171	6.2
99.89726	7.6
136.04037	8.0
136.12253	7.4
139.98128	7.3
141.38962	6.7
144.12132	6.6
199.32213	6.9
353.61029	7.4
374.19046	7.3
527.28375	12.5
563.25909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01381	12.5
73.02887	0.9
74.56497	1.0
85.02953	1.5
85.44006	1.0
89.02430	20.2
93.03479	1.2
95.95660	1.0
101.02415	9.2
102.67941	1.0
113.02446	5.9
113.39623	1.1
119.03498	8.3
161.04553	2.2
179.05649	8.2
183.73160	1.1
191.05653	1.4
343.84677	1.0
358.59814	1.1
405.21332	32.4
563.27173	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48587	0.5
57.03444	0.8
59.01100	0.9
59.01382	17.8
60.38336	0.6
63.12651	0.6
71.01379	27.0
72.99287	0.5
73.02941	11.2
82.01589	0.6
83.01382	4.6
85.02941	12.7
87.00881	0.8
89.02451	14.9
95.01347	1.0
97.02988	1.0
99.00867	4.0
101.02438	31.1
113.02438	19.4
113.41135	0.7
119.03474	2.9
125.02414	1.1
129.01892	0.8
129.23036	0.6
143.03517	1.6
146.79778	0.7
149.04652	0.8
159.01738	0.7
159.02956	4.5
161.04596	8.6
209.15494	4.6
225.20638	0.6
371.20834	18.7
503.25064	100.0
563.27295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71302	1.7
54.82208	1.5
59.01380	77.9
71.01369	51.5
73.37103	1.6
77.57906	1.6
83.01423	1.9
85.02948	4.3
87.00879	3.6
89.02432	100.0
95.01414	1.9
101.02443	30.7
109.07781	1.9
113.02453	27.4
119.03496	33.0
143.03485	2.4
161.04541	7.4
175.14903	2.6
179.05605	59.1
191.05643	2.3
233.15494	13.5
264.10577	2.2
361.61761	2.1
413.21857	24.1
414.32965	2.3
443.22821	9.7
462.48123	2.1
467.22995	15.0
503.25146	38.2
563.17694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02008	1.3
53.79414	1.2
54.29037	1.1
59.01381	38.8
61.98832	100.0
71.01377	32.2
73.02938	8.4
85.02935	5.5
89.02439	72.9
93.88453	1.4
101.02437	28.1
113.02459	10.0
119.03488	5.9
131.03516	13.4
138.61702	1.3
149.04536	35.4
161.04556	2.1
162.64388	1.4
181.83443	1.4
182.27341	1.4
191.05626	8.4
199.18301	1.4
292.19727	1.4
308.05655	17.3
311.09943	6.2
323.07983	9.4
329.13974	2.6
338.10355	22.0
371.20535	1.8
492.36832	1.5
500.15244	11.4
503.25058	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78808	1.2
59.01386	83.7
59.01688	3.1
70.41235	1.4
71.01381	44.4
71.01772	1.9
72.00128	1.5
72.99306	3.2
73.02949	8.8
73.33434	1.6
75.00857	2.7
75.84480	1.5
83.01377	2.9
85.02940	7.9
89.02440	97.6
92.22491	2.3
96.96008	8.0
97.02964	22.7
98.95687	1.8
99.00872	9.6
101.02435	39.5
103.04005	8.3
110.94776	1.7
113.02413	13.9
119.03484	6.7
129.05565	8.9
131.03505	15.6
133.05055	21.8
138.96036	1.7
149.04550	33.3
161.04536	2.3
164.04727	1.8
175.07712	4.1
178.06367	2.7
179.05592	2.0
191.05653	12.7
192.07944	2.2
225.15031	3.5
251.07626	2.1
289.96634	1.9
296.96106	1.7
311.09796	3.7
329.13965	11.5
343.14032	8.7
371.21091	2.0
403.16119	2.3
503.25101	100.0
563.24268	3.9
563.31244	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88030	1.9
57.36709	1.9
57.44390	2.0
59.01382	28.8
59.87616	1.7
61.98839	2.9
68.58955	1.8
69.40974	1.7
71.01379	41.6
73.02942	12.3
73.85905	2.1
85.02943	19.6
86.10172	2.2
87.77817	2.0
87.93523	2.0
89.02445	36.8
92.15321	1.9
93.38199	2.1
99.00881	7.9
101.01847	3.6
101.02443	50.0
113.02460	27.0
119.03495	2.6
127.55304	2.1
131.03473	9.5
143.03542	2.9
149.04543	9.5
161.04532	20.7
191.05693	3.0
202.10806	2.0
257.51575	2.0
353.19626	2.6
383.00098	2.5
438.49136	2.8
503.25061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01378	9.4
61.98827	1.9
71.01378	7.7
72.99297	0.7
73.02943	1.2
83.01405	1.2
83.05008	0.8
85.02952	15.4
87.00896	1.0
89.02411	6.5
97.06593	4.5
101.02447	9.9
111.04507	1.1
113.02435	5.7
119.03512	1.2
119.05049	1.6
125.06110	1.6
139.30736	0.8
143.03517	0.9
161.04562	3.8
163.04057	5.1
171.10283	13.7
179.05605	1.0
183.13910	32.0
195.13857	1.6
201.11285	1.0
202.90294	0.8
210.61215	0.9
211.07788	1.0
211.13429	23.2
223.17160	3.3
229.14473	6.2
251.16507	7.9
253.09300	39.9
255.06647	20.5
255.08977	0.8
269.17737	3.3
279.06564	0.9
291.19769	6.5
309.20953	4.0
317.19791	1.6
327.21796	100.0
347.73904	0.8
424.67758	0.8
525.20575	3.4
563.17975	4.4
563.31091	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23249	0.6
56.52471	0.5
74.27923	0.6
75.38229	0.7
78.95902	38.4
78.96368	1.3
80.62923	0.6
91.99717	0.7
96.96951	5.4
119.08944	0.6
131.48456	0.8
134.62448	0.7
152.99585	51.9
171.10269	40.1
255.23315	100.0
263.92648	0.6
307.09586	5.9
337.58563	0.7
391.22549	19.3
409.23730	8.7
563.33594	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70595	9.9
57.27857	10.5
65.13545	11.8
66.48457	12.1
78.95898	53.3
96.96002	25.4
115.92067	15.6
128.66502	15.1
144.69566	13.6
152.99570	69.9
154.69382	13.0
171.10300	49.2
222.93900	14.8
247.90906	15.2
255.23305	23.4
260.94595	14.6
391.21957	14.2
480.34491	14.3
563.33301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3365
Annotation	8-Hydroxymanzamine A
Peak:m/z	Relative Intensity
54.19202	8.4
59.01372	17.3
119.04256	9.8
128.57718	11.9
129.49266	9.3
131.90988	9.3
225.65210	9.4
255.23415	17.1
256.23715	13.9
402.53177	12.3
481.87418	11.4
563.33710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	7.9
60.80504	4.2
65.78455	4.4
71.99673	4.7
72.57410	4.5
78.15096	4.6
106.45260	4.9
177.87286	5.5
207.07735	6.6
255.23378	42.3
256.23682	27.4
257.23889	27.7
563.34442	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80795	0.4
59.01382	52.5
61.98824	3.0
62.83778	0.5
71.01376	7.2
72.46825	0.6
73.02940	3.6
75.00851	0.7
83.01431	0.6
85.02940	4.0
87.00856	0.8
89.02440	3.1
95.17247	0.6
101.02428	7.1
113.02410	5.6
114.70959	0.6
119.03513	0.9
126.17667	0.6
127.03926	0.6
138.55740	0.6
139.75424	0.6
146.50693	0.6
148.10876	0.5
149.80669	0.6
161.04576	2.3
253.09167	0.8
327.21677	1.3
503.31924	1.1
519.28583	1.3
545.33636	1.3
563.34515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23690	0.7
56.62553	0.7
59.01384	75.2
61.22406	0.7
71.01384	6.6
73.02943	3.6
78.95922	1.3
83.01396	1.0
85.02946	5.1
87.00847	0.8
89.02454	1.3
101.02463	8.6
113.02432	4.8
148.83940	0.8
158.11772	0.8
161.04558	1.9
242.90552	0.8
299.25900	1.2
321.97061	0.9
369.33444	0.9
461.31198	1.7
519.31604	0.9
563.27032	3.7
563.34503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25969	1.0
56.47694	1.0
58.12721	0.8
59.01381	7.0
64.34978	1.0
72.46418	0.9
82.31403	1.2
85.70000	0.9
101.02427	1.2
116.92838	1.1
119.12770	1.0
152.99622	1.6
168.13449	1.1
253.09200	8.0
255.22968	1.1
267.23318	100.0
313.09662	1.1
503.32343	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25072	0.3
55.20412	0.4
59.01377	2.1
66.82951	0.4
69.56243	0.4
71.01353	0.5
72.50626	0.3
79.23209	0.4
89.02474	0.4
92.23093	0.5
99.08155	20.3
101.02397	1.0
106.35382	0.4
112.48467	0.4
145.08708	100.0
153.54201	0.6
233.69089	0.4
387.20187	1.7
405.21344	0.6
436.40436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49784	1.1
54.39656	1.3
54.61840	1.3
78.95911	11.1
83.72887	1.8
89.94658	1.5
103.05038	1.3
104.76884	1.4
143.02359	1.7
152.99515	10.6
168.04303	1.7
207.21567	1.4
224.06944	9.5
255.23390	2.7
267.23480	12.2
280.23724	1.6
281.24875	100.0
346.50079	1.6
501.37827	1.6
506.32584	81.6
563.34784	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02005	0.9
59.01106	1.9
59.01383	44.9
67.05522	1.5
69.03452	32.5
71.97601	0.9
74.29590	1.0
76.41447	1.0
78.95901	9.7
83.05028	8.5
87.62181	1.2
111.04489	8.5
128.04774	1.2
129.05589	1.6
129.58185	1.0
135.08163	7.2
135.86032	1.0
152.99579	6.4
171.94704	1.3
213.60204	1.2
232.58340	1.2
235.20659	2.4
239.20128	1.5
270.72754	1.0
403.55350	1.4
489.71408	1.3
534.58258	1.3
563.31348	4.3
563.39581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30215	0.7
59.01112	1.9
59.01386	42.3
61.84800	0.8
62.83939	0.7
67.05512	1.2
67.97687	0.8
69.03455	31.4
69.51333	0.9
76.31232	0.8
78.95895	4.9
83.05023	8.3
83.80385	0.9
111.04510	5.6
127.91194	0.8
128.04770	1.1
129.05597	1.3
135.08136	5.8
152.99606	1.9
208.21539	1.1
235.20703	3.5
242.07927	1.0
335.26035	1.9
339.23871	0.9
426.39291	1.0
563.30969	4.3
563.39606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71014	1.1
59.01385	100.0
69.38833	1.4
89.71685	1.5
92.23075	2.1
94.35796	1.3
103.00375	35.9
103.04009	7.4
133.05067	60.2
143.59325	1.5
146.30070	1.8
175.06111	15.0
185.23183	1.6
203.16740	1.8
219.05003	2.3
284.08847	1.6
440.09827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1884
Annotation	Viridicatumtoxin
Peak:m/z	Relative Intensity
54.68116	2.1
57.37495	2.2
58.10174	2.7
59.01380	5.2
61.98840	14.9
76.67458	2.2
117.03480	2.7
121.02901	3.0
134.07402	6.1
136.05301	4.6
161.02422	3.2
172.30203	2.6
173.02443	9.6
177.05515	2.6
181.06178	2.6
187.04059	3.2
188.03503	10.7
190.05122	75.7
190.06813	3.6
191.05682	3.0
192.02293	2.8
193.08658	2.5
205.04958	2.7
213.05577	17.2
215.07191	2.9
227.07129	4.5
227.10634	3.4
229.08751	3.3
241.08792	5.4
255.10341	24.0
285.15005	47.8
297.11343	2.9
306.54501	3.0
310.47318	3.4
314.11667	41.6
329.14023	40.8
410.14151	4.8
472.13678	4.6
488.17429	3.5
502.18799	24.0
520.19818	100.0
546.17780	5.6
564.18811	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00815	2.1
61.98826	5.5
65.87094	2.6
68.82816	2.7
76.41104	3.2
81.45036	2.5
82.42356	2.7
86.79366	2.4
87.20992	2.5
103.93611	2.7
109.71481	2.8
116.63519	3.3
119.59542	3.1
261.54721	2.8
301.32867	3.3
309.62350	4.1
315.05490	11.5
323.15927	3.3
330.07816	3.4
337.83450	2.9
344.09384	5.1
348.08844	3.9
376.12112	3.4
454.16385	3.9
458.20029	3.2
472.17822	56.6
487.20264	4.2
502.22327	12.4
504.20377	5.8
520.23663	21.1
525.98987	2.9
564.22424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28061	0.5
76.25129	0.6
146.62987	0.6
172.66235	0.6
237.10342	0.6
272.20837	0.5
370.19385	0.5
405.20895	1.1
419.22519	19.1
420.23514	1.2
433.23914	3.4
446.21768	0.7
447.25775	3.2
448.26382	1.2
461.23645	7.3
475.24884	1.9
476.18567	18.4
476.25787	5.9
477.19028	3.7
483.36505	0.6
490.20151	5.7
491.20883	28.9
492.21628	1.0
505.22626	2.5
507.75198	0.6
524.52802	0.6
564.23853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.4
61.98822	0.4
72.78214	0.4
75.04128	0.4
78.95902	9.0
80.37484	0.4
129.72375	0.4
135.69148	0.5
150.99788	0.4
152.99559	4.1
168.04288	3.5
224.06917	7.6
242.08054	1.9
257.61530	0.6
265.21756	100.0
303.79388	0.5
444.39627	0.5
490.29495	74.6
522.59686	0.5
564.33411	1.1
593.23627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21780	0.5
57.01897	0.5
59.01372	0.6
61.98831	100.0
109.62636	0.4
109.91448	0.5
112.66989	0.5
146.43788	0.5
250.60072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98835	100.0
78.95913	1.5
80.69784	0.7
90.14596	0.8
92.23117	1.2
92.24548	0.8
152.99612	3.6
179.91428	0.8
255.23282	1.5
256.23627	3.4
325.31097	1.1
564.34521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18713	0.6
65.91924	0.5
69.42953	0.6
69.54919	0.6
69.55352	0.6
78.18513	0.7
95.04981	1.0
104.76157	0.6
112.07689	12.4
112.26791	0.6
113.06094	4.1
129.10318	8.3
130.08730	17.1
137.07120	0.8
147.93596	0.7
185.86630	0.7
207.15059	7.3
208.13487	0.9
224.17696	9.6
225.16098	25.1
235.52757	0.7
320.23425	4.5
337.26059	5.6
338.24478	4.2
375.98688	0.8
433.31833	1.4
450.34445	7.1
518.73328	0.7
546.40302	10.1
556.15723	0.8
564.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0488
Annotation	Udpgal
Peak:m/z	Relative Intensity
51.89552	0.6
63.12504	0.5
66.13892	0.6
72.99300	10.1
78.95904	100.0
96.95996	2.0
96.96955	57.9
111.01991	13.0
120.96979	1.4
123.04528	5.1
135.04512	3.6
135.77283	0.6
138.98032	7.2
139.97806	0.6
150.98003	6.0
158.91331	1.2
158.92549	23.0
162.98039	0.8
164.03505	1.0
168.99066	0.7
174.98053	1.1
176.93626	3.5
179.03497	7.2
190.02690	1.2
191.03529	3.6
192.99138	3.9
197.04573	8.2
205.05040	3.8
209.04401	0.9
211.00183	7.9
241.01224	15.1
272.95746	13.7
280.02380	3.5
305.01804	1.4
320.97891	4.1
323.02896	47.6
353.09064	1.1
384.98618	4.8
565.04950	79.9
565.15570	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40699	0.3
56.92845	0.3
72.36403	0.3
78.77000	0.3
99.92580	3.0
116.92853	100.0
154.00896	0.3
157.89592	0.3
161.98257	0.3
164.76186	0.3
173.21654	0.3
267.62778	0.3
290.61185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1144
Annotation	4',4'''-Di-O-methylcupressuflavone
Peak:m/z	Relative Intensity
53.05855	0.8
59.36811	0.7
61.79253	0.8
79.01913	2.3
81.49863	0.9
121.02962	4.9
126.09518	1.0
152.99557	1.4
165.01932	16.8
168.24512	1.0
223.04037	1.0
253.05145	4.2
266.05658	0.9
271.68399	1.1
277.02148	1.0
283.06049	4.0
287.10565	1.1
293.04425	1.6
298.10013	1.9
299.10349	1.0
325.08633	5.1
327.10190	1.1
342.08975	2.0
342.99738	1.1
343.09995	1.6
353.08099	4.3
369.07565	6.7
398.08060	12.1
399.08762	100.0
493.12927	4.1
497.36578	1.1
537.11914	3.6
565.11450	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1138
Annotation	Amentoflavone 7'',4'''-dimethyl ether
Peak:m/z	Relative Intensity
52.41465	0.8
53.33932	0.8
69.06104	0.8
69.29419	0.8
78.95887	1.3
79.01867	1.6
91.20317	0.9
100.17764	0.8
101.65688	0.9
135.04520	2.2
152.99580	1.5
179.03528	8.4
239.03482	1.8
267.06537	1.0
269.04553	5.9
273.09232	2.1
284.08548	1.6
296.06989	1.3
311.07144	1.5
313.08725	1.9
329.08276	4.0
339.06519	3.6
355.06259	8.3
356.07104	1.4
384.06458	7.5
385.07211	100.0
537.11810	3.9
565.11383	40.0
565.30292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1149
Annotation	4',4'''-Di-O-methylcupressuflavone
Peak:m/z	Relative Intensity
74.28479	0.7
75.88632	0.8
78.95898	21.1
82.52949	0.8
92.22796	1.3
111.08182	3.1
152.99591	6.9
173.08189	4.0
181.06662	1.2
183.04518	6.5
195.08170	5.5
208.05289	1.0
209.06114	3.3
223.07607	5.8
225.05536	5.1
227.03194	1.0
237.05511	3.5
239.07137	4.7
253.05086	18.4
255.06509	1.0
255.23273	10.2
267.06464	5.8
269.04581	99.5
281.01501	1.5
281.04587	41.2
283.06140	88.7
295.06155	25.0
309.75964	1.0
310.80261	0.9
484.45776	0.9
565.11487	100.0
565.30920	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89858	0.4
66.50211	0.4
71.01379	7.6
72.99300	2.4
73.98819	0.5
84.69572	0.4
87.00893	0.8
89.02439	1.0
96.03753	0.4
101.14662	0.5
103.61120	0.5
115.00359	35.6
119.88200	0.6
133.01428	100.0
230.20741	0.6
459.71933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03432	0.8
58.87064	0.7
78.95896	1.2
87.55609	0.9
96.10150	0.9
115.03795	0.8
135.00893	1.8
136.01685	3.9
152.99609	1.3
155.05038	1.0
164.01155	7.2
176.01155	1.0
181.06631	1.5
193.06755	1.2
197.06148	1.0
197.11819	1.4
209.06073	5.3
213.05446	1.1
225.05527	9.8
237.05525	1.5
240.07797	1.1
252.07924	1.9
253.05115	16.7
255.23195	1.3
268.00052	1.0
268.07465	10.5
269.04590	93.6
281.04572	37.5
283.09714	20.8
295.09811	14.4
342.11133	0.9
349.36029	1.0
565.15118	100.0
565.37543	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15025	1.3
64.93551	1.4
65.86092	1.2
70.58247	1.1
71.36034	1.3
77.13634	1.3
78.95910	7.3
93.72837	1.4
152.99629	2.1
165.01968	2.0
211.04018	6.9
213.73380	1.7
223.04134	2.8
227.07124	2.5
239.03572	8.4
240.04259	3.2
252.04338	17.9
253.08685	1.6
255.23315	3.1
267.06577	1.6
268.03799	55.2
268.06677	1.9
269.04810	10.0
269.08191	100.0
270.37003	1.5
280.03879	6.0
281.04715	3.4
281.08154	3.4
283.06165	65.4
283.09302	3.0
295.06183	21.2
397.45447	1.4
490.31607	1.6
565.15326	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86371	1.2
55.53461	0.9
56.46870	1.0
79.01917	1.2
92.22395	2.1
121.02950	1.2
136.01891	0.9
152.99661	1.3
164.01207	5.2
165.01978	7.9
179.03468	1.2
196.74780	1.2
209.06091	3.7
209.13513	1.0
213.05638	1.5
225.05551	9.0
237.05609	2.3
241.05147	1.5
252.98495	1.2
253.05074	18.6
268.07553	1.8
269.04584	100.0
281.04593	35.7
283.06744	2.3
283.09766	30.6
326.09296	1.2
359.08798	1.4
398.08224	4.6
399.08783	41.1
565.15411	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89406	0.6
59.01360	0.7
67.22025	0.7
78.95899	10.9
82.24096	0.7
91.22556	0.7
95.32216	0.7
99.45389	0.7
104.96852	0.8
108.37375	0.6
151.00301	2.8
152.99541	3.0
161.11638	0.8
163.00383	13.2
167.62582	0.8
171.04497	1.0
173.08150	1.4
179.03627	0.9
183.04517	0.9
209.06026	1.5
213.05586	4.6
223.07697	1.4
225.05545	10.6
237.05418	0.8
239.10747	1.1
241.08818	1.1
242.96994	0.8
253.05083	15.9
254.05862	4.6
255.06650	100.0
255.23270	5.2
267.06659	31.7
269.04587	19.6
269.08182	15.8
281.04562	10.8
281.08179	7.1
282.05383	39.9
283.06134	20.7
283.09763	13.9
295.06186	5.2
297.07687	33.4
309.07629	3.5
315.01514	0.9
351.26300	0.8
565.15454	53.9
565.31738	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
69.22578	0.7
74.21072	0.7
78.95891	1.8
97.92321	0.8
116.92851	1.9
124.46703	0.8
152.99565	1.1
160.26732	1.0
177.01991	6.2
183.04576	6.0
195.08157	5.1
223.07593	5.7
227.07137	1.9
236.46915	0.9
239.07083	6.3
255.06610	1.1
255.23489	1.3
267.06689	5.8
269.04694	4.7
269.08203	37.1
269.24719	7.6
281.05057	1.8
281.08200	10.8
283.06143	100.0
283.09552	3.7
283.26566	1.2
295.06119	23.6
565.15387	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57037	0.4
60.39725	0.5
78.95905	14.8
81.88203	0.4
98.34531	0.5
103.23009	0.4
111.08151	3.4
152.99609	3.6
161.60188	0.5
165.01917	1.0
173.08173	6.0
183.04503	5.0
183.08168	0.5
195.08167	4.0
206.22200	0.6
211.07693	0.8
223.07637	7.7
227.07143	3.1
239.07242	4.2
241.21721	2.4
245.61665	0.5
251.73351	0.5
255.06599	1.9
255.23375	3.1
267.06644	5.5
269.08212	44.5
281.08197	1.7
283.06149	100.0
295.06146	27.7
310.68839	0.5
315.35071	0.4
421.69907	0.6
520.50934	0.7
545.68372	0.5
565.15186	38.4
565.30939	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05708	1.1
68.64339	1.2
72.99300	61.4
78.95901	13.4
83.31145	1.1
89.05260	1.3
93.75420	1.3
96.96920	7.5
107.04986	1.5
111.01964	1.3
123.04512	38.2
135.04503	28.5
150.03239	1.6
151.03972	1.8
158.92558	1.7
164.04774	2.2
176.01083	7.3
179.03508	55.2
190.02667	8.1
191.03514	27.1
197.04558	66.0
205.05043	26.9
209.04599	2.3
211.06155	10.6
223.06073	2.9
323.03018	3.2
353.08795	6.2
359.09769	6.0
367.10388	9.2
532.17297	1.7
565.05371	9.7
565.15637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91192	0.2
54.52955	0.2
57.41637	0.3
59.01378	2.1
71.01379	1.9
72.99306	0.4
73.02942	5.8
89.02444	2.2
96.95953	0.4
99.00866	1.8
99.92581	3.8
101.02441	2.2
113.02460	0.6
116.92850	100.0
117.00231	0.3
117.01930	14.1
117.02759	0.5
161.04662	0.5
179.03575	0.5
197.04631	0.4
206.09633	0.4
227.54489	0.4
250.08456	0.4
447.22614	2.9
521.27588	0.5
565.19147	0.4
565.26581	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98830	1.1
71.01360	0.6
72.99312	3.5
73.02940	3.3
81.26711	0.4
82.87558	0.4
92.23096	0.6
99.00871	0.6
99.92560	3.6
101.02467	0.7
116.92847	100.0
117.01932	9.8
135.04506	1.5
150.03162	0.5
167.84396	0.5
179.03470	4.2
190.10098	0.5
197.04570	4.2
203.10825	0.7
204.11615	0.4
247.45477	0.4
259.17075	5.2
273.18787	0.6
311.84576	0.5
328.71234	0.4
358.21649	2.0
359.22250	5.9
375.57397	0.6
383.54614	0.5
406.02209	0.4
447.22708	0.5
493.57483	0.5
502.48962	0.5
521.27441	2.4
565.19092	2.4
565.27002	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97660	0.4
51.30941	0.4
57.39504	0.4
61.98833	100.0
72.99323	0.8
97.18015	0.5
108.88239	0.5
123.04552	0.6
135.04543	3.5
179.03503	0.6
197.04613	3.3
340.11951	10.4
502.17303	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39510	0.3
57.78661	0.3
59.01386	0.8
61.98833	100.0
69.34999	0.3
71.01386	0.4
78.65660	0.3
94.46745	0.3
102.39606	0.3
103.00370	1.7
135.04538	1.8
191.05684	0.4
206.95569	0.3
340.11945	9.5
461.17349	0.5
502.17120	7.2
565.17346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10727	0.3
61.98832	100.0
63.89632	0.3
93.05659	0.3
107.66139	0.3
135.04535	1.7
153.40866	0.3
190.05191	0.4
340.11917	10.1
351.21323	0.4
435.76315	0.4
502.17206	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87985	0.6
59.01392	0.8
60.70318	0.5
61.98835	100.0
68.32626	0.6
96.60239	0.8
105.01913	1.7
115.00357	1.0
116.92879	0.9
130.87167	0.8
135.04549	1.0
223.06198	0.9
243.93248	0.8
340.11975	11.4
445.72375	0.8
502.17242	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63351	0.5
55.41979	0.6
55.89574	0.7
56.51948	0.5
56.67667	0.5
60.23364	0.6
60.42072	0.8
71.01371	6.9
72.99299	1.3
75.24826	0.6
83.44530	0.7
89.02460	1.3
115.00359	35.5
125.07738	0.7
133.01422	100.0
160.43362	0.7
160.70758	0.8
187.69702	0.7
332.77472	0.7
475.24933	0.8
482.86658	1.1
531.19281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73945	0.2
57.26372	0.3
59.01364	0.3
65.07980	0.2
66.73164	0.2
70.85756	0.2
71.01377	0.3
85.02941	3.2
87.00869	0.5
90.20750	0.3
93.03452	0.6
127.03964	1.0
173.04558	0.6
191.05634	100.0
200.99487	0.3
216.39133	0.3
476.79947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1872
Annotation	Alopecurone C
Peak:m/z	Relative Intensity
65.03638	1.3
67.71189	1.2
88.82228	1.2
89.99796	1.4
107.01414	1.7
117.15411	1.2
135.00839	3.0
136.01682	5.4
153.05556	2.2
164.01157	30.8
165.01933	2.9
176.01137	3.4
177.02063	1.5
227.07196	3.0
239.07152	2.3
240.07904	5.0
252.07939	1.9
268.07416	28.9
269.04770	13.1
269.08191	100.0
281.04721	5.7
281.08313	3.1
283.06815	2.7
283.09769	78.3
283.12860	2.7
295.09778	27.4
335.37961	1.4
344.27161	1.6
361.67953	1.6
470.13104	1.4
526.32886	1.7
565.18866	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05904	0.7
51.29831	0.8
52.88614	0.7
53.95034	0.7
55.48235	0.7
68.52403	0.9
78.95903	14.3
96.26367	0.9
98.17999	0.9
111.08130	1.5
152.99586	4.4
163.00354	5.1
165.01927	2.1
165.95746	1.0
169.12364	1.5
171.04552	1.1
177.01880	6.6
183.04544	1.3
195.08267	1.3
223.07657	1.1
225.05562	4.5
225.09102	1.6
227.07118	1.9
236.21091	0.9
239.07150	2.3
253.05125	9.1
254.05841	1.0
255.06648	36.9
255.23422	8.2
266.70462	0.9
267.06659	13.8
269.04648	17.6
269.08212	100.0
281.04636	9.0
281.08191	44.2
282.05438	15.1
283.06152	21.4
283.09772	11.6
295.06122	6.7
295.09680	6.7
297.07724	12.5
345.91196	1.0
356.71429	1.0
565.12292	12.6
565.17603	10.9
565.31079	8.1
585.77081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08516	0.6
52.85265	0.7
59.01369	4.9
59.08324	0.6
71.01364	3.1
71.48263	0.6
71.92391	0.7
78.24538	0.7
79.94370	0.7
81.62893	0.7
89.02441	3.6
89.08234	0.6
101.02467	1.0
106.22232	0.8
113.02438	1.4
134.03751	1.4
135.04579	1.1
147.04486	0.9
149.02444	7.6
149.06105	1.0
150.03226	1.4
163.03989	1.0
164.04799	26.8
165.05588	1.7
175.00354	4.4
176.01160	1.2
179.07132	5.0
190.02736	55.0
191.03453	5.6
203.78476	0.9
205.05075	55.9
206.05844	4.0
208.03812	1.5
209.04601	6.0
221.08215	7.3
223.06126	19.2
237.07626	3.0
250.04851	1.3
251.05608	2.8
265.07248	10.9
281.06689	0.8
311.07819	1.4
325.09271	1.4
330.14355	1.0
565.19348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31685	0.7
50.95023	0.7
52.04684	0.7
54.07162	0.7
59.01391	8.4
70.06359	0.9
71.01379	4.9
79.57486	0.8
87.00809	1.0
88.98842	0.9
89.02424	5.9
101.02446	3.7
113.02428	6.4
149.02429	6.6
163.03955	1.1
164.04797	20.1
165.05556	1.5
175.00392	6.7
175.03999	2.1
175.34840	0.9
176.01089	1.4
179.07176	3.8
182.62442	1.0
190.02734	73.3
191.03458	7.6
191.05641	3.9
205.05077	69.2
206.05891	1.3
207.06581	1.2
209.04565	7.0
221.08252	1.6
223.06113	10.7
229.85626	0.9
230.23328	1.0
251.05583	2.3
265.07242	1.7
275.76395	0.9
281.06592	1.1
311.09149	1.6
326.11621	5.6
341.13739	4.6
357.13541	1.0
513.67712	1.2
519.18652	4.0
528.41223	1.0
565.19305	100.0
577.58307	1.1
588.37946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.193
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01385	6.7
67.62111	0.9
69.49909	0.7
71.01373	1.8
71.09824	0.9
71.11012	1.1
73.02930	0.9
85.02928	1.0
89.02419	2.1
92.22507	1.5
101.02419	1.4
123.04458	1.5
131.29405	0.9
134.03720	1.7
149.02469	7.9
153.05547	1.1
155.62337	0.9
160.01682	6.9
163.53120	0.9
164.04793	19.9
175.00342	4.5
175.04027	10.6
179.07126	4.3
181.05092	1.2
182.05818	1.1
190.02719	55.6
191.03487	4.6
193.04967	1.3
197.08136	4.4
205.05069	65.4
209.04506	1.1
223.06076	14.0
378.45276	1.1
413.43820	1.1
565.19312	100.0
584.14056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32909	2.1
55.38846	1.9
57.03475	2.6
59.01382	74.0
61.98819	4.2
71.01375	40.4
73.02947	2.7
85.02942	3.4
89.02438	73.3
92.22475	2.9
98.71075	2.2
99.04519	14.0
101.02448	29.9
113.02454	22.7
119.03503	20.6
135.04475	3.1
135.11772	5.1
136.61705	2.4
159.11777	4.5
161.09703	14.2
179.05614	11.9
179.10771	77.0
203.10643	3.0
205.08691	2.7
221.11879	4.1
223.09734	65.7
265.10880	28.4
278.11017	2.9
300.09995	3.3
315.12421	3.4
325.13019	3.2
385.14838	3.2
403.11298	4.2
403.16135	57.0
445.16992	16.6
474.90076	2.8
475.18240	22.3
505.19391	77.5
565.13910	4.2
565.21564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02135	2.7
59.01384	73.4
70.60205	2.7
71.01374	39.4
75.45229	2.9
89.02438	77.8
97.02966	3.2
99.04514	7.6
101.02441	33.2
113.02441	20.4
116.15004	3.3
119.03463	22.8
135.11827	6.7
159.11752	6.9
161.09735	18.6
165.12808	3.1
177.12859	5.0
179.10777	84.0
186.61778	3.2
215.23395	3.0
221.11864	7.5
222.13164	3.1
223.09764	73.3
258.90396	3.2
265.10764	40.7
325.13055	4.5
355.63004	3.2
385.96417	3.4
403.16125	75.2
445.17151	6.9
475.18311	30.6
505.19305	98.8
565.21674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35205	1.4
52.10952	1.3
56.17896	1.4
59.01379	45.1
59.28281	1.4
60.71025	1.4
63.71264	1.4
64.25881	1.5
71.01385	13.9
73.02945	3.5
74.57023	1.6
85.02953	4.0
87.00847	1.8
89.02431	11.5
99.00830	2.9
101.02445	13.2
113.02428	11.5
116.40563	1.9
119.03452	2.0
121.02955	3.1
122.03719	7.0
134.03748	9.3
135.04514	7.4
136.84261	1.8
137.02452	3.2
144.41864	1.7
149.02452	7.5
150.03200	2.8
151.04044	4.0
160.01663	30.8
165.05533	3.7
175.03998	100.0
177.05424	1.8
193.05096	13.5
194.15498	2.0
282.42337	2.0
283.09662	2.3
298.12119	2.7
310.12192	2.5
311.09271	30.5
325.10864	2.6
326.11630	50.2
328.13138	6.9
341.10181	3.3
341.13986	55.0
343.15576	7.1
346.14453	2.3
361.16513	28.8
387.14743	4.1
403.17368	3.7
505.20776	18.2
523.21844	9.4
535.19574	30.3
565.24817	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35205	1.4
52.10952	1.3
56.17896	1.4
59.01379	45.1
59.28281	1.4
60.71025	1.4
63.71264	1.4
64.25881	1.5
71.01385	13.9
73.02945	3.5
74.57023	1.6
85.02953	4.0
87.00847	1.8
89.02431	11.5
99.00830	2.9
101.02445	13.2
113.02428	11.5
116.40563	1.9
119.03452	2.0
121.02955	3.1
122.03719	7.0
134.03748	9.3
135.04514	7.4
136.84261	1.8
137.02452	3.2
144.41864	1.7
149.02452	7.5
150.03200	2.8
151.04044	4.0
160.01663	30.8
165.05533	3.7
175.03998	100.0
177.05424	1.8
193.05096	13.5
194.15498	2.0
282.42337	2.0
283.09662	2.3
298.12119	2.7
310.12192	2.5
311.09271	30.5
325.10864	2.6
326.11630	50.2
328.13138	6.9
341.10181	3.3
341.13986	55.0
343.15576	7.1
346.14453	2.3
361.16513	28.8
387.14743	4.1
403.17368	3.7
505.20776	18.2
523.21844	9.4
535.19574	30.3
565.24817	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2428
Annotation	Okaramine B
Peak:m/z	Relative Intensity
53.28772	1.2
59.01369	3.5
70.89426	1.5
78.95891	22.2
79.35152	1.5
92.96723	1.5
96.96001	1.7
96.96928	6.3
152.99580	48.7
205.19475	2.4
241.01204	26.9
246.42174	1.7
249.16306	2.7
249.18628	54.1
293.27414	1.5
315.04739	3.5
565.24036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2466
Annotation	Okaramine B
Peak:m/z	Relative Intensity
59.01371	3.6
62.56386	1.0
63.33791	1.0
67.81699	0.9
77.48176	0.9
90.01996	0.8
91.18870	0.8
92.22503	2.0
106.06644	8.4
120.08160	3.3
202.58525	0.8
209.11035	1.1
223.12442	0.9
225.10350	1.9
225.13922	2.1
237.10329	1.3
239.11888	5.4
239.15541	3.6
251.12003	1.1
253.13585	1.4
278.96078	0.9
293.21545	1.3
316.18292	2.0
328.18427	1.3
330.19684	1.5
332.01608	1.0
342.16144	1.4
344.17606	1.6
356.17685	5.6
358.19296	2.2
406.21600	1.3
415.26736	1.0
433.19714	1.4
435.25348	1.8
447.21933	5.5
448.22427	1.6
462.24545	9.1
477.19803	1.9
477.26633	20.9
491.21320	1.1
492.21353	6.0
521.25653	2.1
565.24603	100.0
594.89868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10936	1.2
55.46903	1.3
55.56875	1.1
59.01389	17.4
70.63316	1.5
71.01378	6.8
73.02945	26.4
82.12582	1.3
83.01377	2.9
94.73824	1.3
101.02454	13.1
113.02449	2.2
135.58075	1.4
151.80809	1.6
159.67358	1.4
222.75146	1.6
240.58479	1.7
299.20157	96.1
301.21796	45.4
377.85931	1.8
521.27618	100.0
554.73376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.1
61.98837	1.8
64.45604	0.9
69.86706	1.0
71.01382	24.6
73.02940	1.6
73.05079	1.1
83.01394	1.8
85.02945	2.7
89.02435	32.6
95.01365	2.1
99.00950	1.2
101.02442	23.4
113.02428	14.9
119.03497	11.4
128.93204	1.2
138.42711	1.3
179.05614	1.9
191.10785	5.1
203.10767	1.6
214.09976	1.5
268.14667	4.4
271.17023	11.5
281.15518	12.3
283.17072	10.8
323.20132	1.7
326.18982	2.4
341.21271	11.4
359.22360	6.4
419.37637	1.3
456.56924	1.3
521.27588	32.1
547.26202	4.3
565.26678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.266
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
59.01383	44.8
61.64548	1.0
71.01376	19.6
73.02948	1.9
85.02951	2.6
89.02436	31.2
92.22495	1.9
101.02451	17.5
113.02416	10.1
119.03497	7.1
135.04486	1.2
158.88918	1.3
191.10789	2.3
203.10866	2.5
214.10065	1.2
244.97841	1.2
249.28915	1.2
263.58841	1.4
265.95782	1.3
268.14725	6.0
271.17081	13.9
281.15436	11.8
283.17081	14.4
309.15146	1.4
323.20154	1.5
326.19031	1.8
330.03967	1.2
330.93933	1.2
341.21252	9.5
359.22333	6.3
521.27612	33.1
547.25629	5.4
565.26654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2663
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
50.72378	1.8
59.01147	1.9
59.01384	36.8
71.01392	16.4
82.95214	2.1
85.02943	2.8
89.02455	18.5
93.89114	1.9
94.10677	2.0
96.96007	2.1
101.02446	19.5
113.02415	9.2
119.03497	4.8
148.02629	2.4
152.99567	2.1
194.05789	2.7
209.08185	2.5
251.95235	2.0
271.17078	8.9
281.08051	2.1
281.15463	3.6
283.17123	8.3
306.49194	2.2
307.65997	2.2
341.21307	12.1
359.22311	18.0
486.56348	2.3
496.60297	2.4
521.27625	21.6
557.99213	2.2
565.17682	5.2
565.26550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2658
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
54.98024	0.8
59.01379	33.4
63.27743	1.0
69.95263	1.1
71.01376	17.9
73.02941	1.7
78.58409	1.0
85.02959	2.3
85.93594	1.0
87.48794	1.0
89.02432	24.8
92.22482	1.2
94.77133	0.9
95.01353	1.6
101.02441	19.0
102.02802	1.0
113.02425	10.1
119.03479	9.2
126.47646	1.0
158.68541	1.1
188.08429	2.0
252.70122	1.0
260.87222	1.1
271.17084	9.4
281.15451	1.8
283.17117	5.6
341.21365	9.7
359.22339	20.4
403.21005	1.1
438.34384	1.0
521.27667	23.5
547.25861	1.6
565.26678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22809	0.5
59.01368	3.8
71.01381	2.5
71.94242	0.6
101.02425	2.2
113.02448	1.2
125.82387	0.6
132.02133	2.5
133.02931	0.9
133.89894	0.7
134.03738	9.4
137.02454	0.6
149.06126	1.0
151.11281	0.7
160.01657	28.2
161.02458	1.4
161.22919	0.6
169.12331	11.3
175.04005	100.0
179.03436	0.8
190.36330	0.6
193.05089	13.5
195.34772	0.6
213.11304	2.6
282.92630	0.6
283.09845	0.7
296.10483	0.6
309.11417	0.7
311.09225	13.4
316.32312	0.8
325.10812	0.8
326.07962	0.9
326.11676	17.7
341.13992	25.1
387.98737	0.6
449.20575	5.8
550.23651	0.9
565.18292	3.4
565.26569	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72942	0.7
63.52887	0.7
67.39417	0.7
68.44505	0.7
78.95888	7.8
79.50490	0.7
85.09691	0.7
119.09831	0.7
152.99597	29.9
159.02907	0.7
227.03307	4.2
245.04456	0.8
245.95245	0.8
255.23320	100.0
400.18015	0.9
483.27335	58.8
565.28363	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.1
61.98816	14.0
70.59365	8.9
72.13816	8.6
75.00876	44.9
78.95894	38.4
81.41827	7.9
85.02943	49.6
87.00876	10.1
92.22481	8.7
96.76269	8.3
113.02464	17.8
152.99675	12.5
166.74574	8.7
249.00500	9.8
288.93765	9.4
347.41611	11.6
436.20840	14.0
565.20752	77.1
565.27942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09711	3.9
74.11810	4.3
86.76759	4.8
112.78213	4.5
113.60611	5.4
130.30467	5.4
148.18939	4.6
152.99464	8.5
170.06836	5.2
293.21457	8.5
406.48569	5.4
488.78046	5.7
543.81964	6.0
565.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80749	2.2
59.01376	4.4
62.50719	2.3
63.96572	2.5
67.98270	2.6
68.39658	2.6
81.45030	2.5
88.44011	2.5
101.55775	2.7
120.57120	2.8
178.42715	2.6
184.95827	3.0
196.70586	2.8
249.18579	4.7
293.21191	13.5
513.60272	3.5
529.30420	4.2
565.28009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.9
56.09932	0.6
57.03436	0.8
59.01103	0.8
59.01382	17.9
61.98827	0.8
62.94052	0.5
71.01379	29.4
72.42845	0.5
72.99308	3.4
73.02942	11.1
83.01386	4.0
85.02941	12.9
87.00887	5.8
89.02438	11.6
89.38448	0.5
95.01389	1.3
97.02931	0.8
99.00893	5.1
101.01768	1.2
101.02436	35.6
102.71408	0.6
103.77155	0.6
111.00746	0.7
113.02432	19.7
119.03490	3.0
120.59425	0.7
122.39371	0.7
123.04490	1.1
125.02452	0.9
129.01935	1.1
131.03468	0.8
135.04543	2.7
139.57925	0.7
143.03479	2.4
149.04532	0.8
159.02971	3.5
161.04546	10.7
179.03453	1.5
191.03622	1.8
193.10727	0.7
197.04559	3.0
205.05019	1.1
205.12303	0.8
359.22296	1.5
373.22369	17.8
505.26617	100.0
565.15912	3.4
565.28156	4.1
569.64569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01102	1.2
59.01383	23.9
71.01376	28.1
73.02942	11.6
83.01383	5.4
85.02946	13.5
86.17761	0.8
87.00858	1.0
89.02441	11.6
92.35752	0.7
95.01408	1.1
97.02918	0.9
99.00877	5.6
101.02441	35.2
109.55597	0.7
113.02452	20.6
116.82924	0.8
119.03504	3.4
125.02431	1.6
129.66919	0.8
134.03729	6.8
138.40659	0.8
145.02977	1.1
149.06155	0.9
159.03008	3.1
161.04572	11.0
162.03214	1.6
164.04767	2.9
190.02692	6.7
193.05084	6.2
197.04485	0.9
205.05078	8.4
206.05852	1.4
207.06598	3.0
221.08325	1.0
249.07750	1.9
254.06697	0.8
269.42725	0.8
335.59625	0.8
373.22311	19.7
505.26596	100.0
565.19769	13.8
565.32733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34608	0.6
73.92568	0.8
75.19456	0.8
78.95903	100.0
82.15673	0.7
96.96958	3.3
100.48125	0.8
111.08134	8.0
150.22000	0.7
152.99591	30.7
160.57129	0.7
173.08177	15.8
175.40318	0.7
255.23317	60.3
269.08252	1.4
283.06076	1.7
283.09668	1.2
389.69879	0.9
391.22778	1.0
409.23676	0.7
565.31561	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52183	57.4
60.62592	79.8
67.11358	56.9
80.23235	58.8
86.72155	61.8
137.02437	81.7
138.31712	72.8
174.43300	80.4
229.14491	86.9
231.58139	63.0
243.42053	78.1
278.15338	70.7
290.92505	90.7
357.09906	70.7
551.00348	91.6
565.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04216	1.4
59.01381	9.5
61.83505	1.3
65.61568	1.4
74.87860	1.6
78.95896	2.0
80.07277	1.6
89.02435	2.6
101.02413	1.9
144.00491	1.6
152.99544	2.4
177.19106	1.6
242.11780	1.8
253.09317	12.2
269.24893	100.0
317.21738	1.8
321.47784	2.0
457.97250	2.3
505.33868	6.7
556.92920	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84900	1.0
59.01402	2.5
66.90232	1.2
70.93859	1.1
74.90409	1.3
78.95890	13.0
88.73650	1.2
118.01454	1.2
152.99629	6.1
168.04430	1.6
192.36249	1.2
224.06868	9.7
253.09369	5.6
255.23346	5.3
269.24893	39.2
283.26434	100.0
396.86676	1.6
505.33682	2.1
508.34137	82.3
548.59949	1.4
565.36292	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40915	0.6
58.99986	0.6
64.80922	0.6
68.74799	0.7
73.65087	0.6
73.73648	0.6
74.07877	0.6
76.16508	0.6
78.95885	3.4
126.61172	0.7
176.57712	0.8
223.20720	0.9
225.22255	65.8
253.21771	1.4
271.22812	100.0
280.52753	0.7
301.21954	5.0
535.06238	0.8
539.10254	0.7
565.35681	2.8
565.44556	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66327	1.0
57.47713	0.8
59.01386	1.0
59.54681	0.8
69.99088	1.2
97.02923	2.2
97.06561	1.5
109.06577	1.0
111.04521	1.9
125.06045	1.3
132.26971	0.9
137.17247	1.1
171.10329	4.9
183.13918	7.1
183.89687	0.9
188.23947	1.1
195.13954	2.5
197.11856	1.2
211.13432	5.3
233.15518	1.2
251.16502	5.0
255.23315	100.0
263.16446	1.4
265.18002	1.3
265.97354	1.1
271.22830	5.1
281.17624	1.5
291.16119	5.1
291.19672	21.5
309.17096	32.4
309.20770	38.2
327.21869	6.0
386.20306	1.3
520.80133	1.1
565.44830	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	2.2
58.26657	1.6
66.10775	1.9
67.00630	1.7
71.78698	1.8
74.02469	15.5
82.03011	2.5
83.28885	1.9
86.02496	3.3
97.04031	4.6
99.05632	10.4
100.00402	3.4
100.19726	1.8
104.40971	1.8
105.99689	8.9
106.59107	1.8
112.04086	2.2
125.03556	2.1
127.05111	4.5
128.03531	58.4
128.18106	1.8
140.07210	2.6
143.04628	63.3
146.04617	3.4
153.06680	10.0
155.08260	8.6
160.00745	16.7
165.06618	1.9
166.17189	1.9
167.04623	2.8
169.06192	4.3
175.01778	8.1
177.03401	2.8
179.04659	16.1
181.06177	2.7
183.07794	4.4
185.05621	2.4
197.05597	3.0
209.36182	1.8
210.08855	13.9
227.06763	7.3
254.07805	9.9
261.05588	3.6
272.08859	17.2
274.31158	2.0
304.06049	29.2
306.07681	50.1
338.04977	10.8
453.29718	2.4
463.71942	2.3
566.12415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	2.8
62.18378	2.9
74.02478	16.3
79.54862	2.5
86.02437	2.3
89.48759	2.5
97.04071	3.8
99.05630	10.4
105.99681	3.4
109.43984	3.0
127.05128	6.4
128.03535	52.9
140.07201	4.8
143.04626	52.9
146.04628	4.4
153.06682	3.2
155.08287	12.4
160.00754	15.0
179.04640	12.2
182.09311	3.4
183.07726	3.7
210.08861	12.3
227.06726	11.0
261.05627	3.7
272.08826	12.5
304.06226	29.7
306.07663	48.1
338.05011	10.3
396.27585	2.8
566.12354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00002	0.6
59.01389	5.0
64.30666	0.6
65.42467	0.7
70.31428	0.7
71.01388	1.4
94.23676	0.8
101.02470	1.1
106.65530	0.9
116.05048	3.1
121.23138	0.8
123.04407	0.8
130.06645	1.2
133.01422	1.4
134.06122	1.8
142.06622	3.9
144.04549	73.6
146.02472	29.2
146.06100	1.5
158.06102	18.0
160.04022	3.1
162.05577	7.3
174.05577	4.0
176.07172	28.2
186.05579	12.4
188.03490	1.1
197.04576	1.7
204.06656	11.6
225.55878	0.8
230.04585	3.9
296.09320	4.0
308.07660	0.9
316.10156	1.2
340.11951	7.8
350.08810	3.7
368.09894	100.0
409.10312	0.8
468.05670	1.0
566.13666	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
69.57749	1.2
71.01399	2.1
72.99306	2.2
74.38741	1.2
83.75835	1.4
90.91679	1.0
100.60858	1.1
101.46980	1.1
116.05032	2.0
118.23062	1.3
121.40034	1.1
125.41887	1.0
130.06601	2.3
134.06120	1.6
142.06628	2.7
144.04547	81.2
146.02484	29.4
146.06126	1.6
151.04051	1.2
153.48050	1.1
158.06108	18.0
160.04005	4.7
160.10921	1.1
161.81477	1.2
162.05609	9.7
176.07167	29.4
178.56015	1.2
186.05577	11.2
197.04514	2.3
204.06689	16.6
230.04475	2.5
256.18570	1.4
308.07687	1.7
350.08914	5.1
368.09897	100.0
371.46494	1.4
381.02502	1.4
566.16449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10529	3.2
56.31110	3.4
71.01379	4.1
74.02478	16.1
86.02463	5.0
97.29257	5.0
99.05643	8.6
107.04240	3.6
126.04476	3.4
128.03528	67.5
133.01466	6.4
143.04620	100.0
146.04579	6.2
153.06708	7.3
160.00749	18.2
167.04492	4.4
170.03273	4.8
179.04637	23.6
210.08904	33.1
226.66451	4.2
236.46870	4.7
254.07834	20.3
272.08807	20.6
285.26465	3.9
288.06888	5.1
306.07767	35.5
353.25320	4.3
404.11417	59.1
468.13190	5.3
476.13599	23.1
566.16638	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	2.7
60.96364	1.7
66.67777	1.8
74.02470	17.6
79.79044	2.3
86.02489	4.9
89.75597	2.0
99.05649	13.2
100.00435	2.4
107.53648	2.1
117.14104	2.2
127.05136	3.8
128.03542	75.7
143.04630	97.8
146.04587	4.3
147.79482	2.1
153.06711	5.1
154.41769	2.4
160.00757	26.0
166.09901	4.7
167.04659	4.7
167.08289	4.2
170.04527	2.5
177.03406	11.5
179.04654	28.7
180.05568	2.5
210.08911	30.7
240.09807	2.8
254.07837	17.8
272.08899	21.0
306.07690	37.2
378.09769	4.7
404.11404	61.5
465.20032	2.6
468.13239	9.5
476.13470	23.4
566.16699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44228	2.0
59.37159	2.0
67.23856	2.6
74.02485	28.4
80.75070	2.2
86.02473	6.2
87.00854	2.9
92.23082	2.8
99.05642	4.8
105.01932	9.6
107.42687	2.7
113.03549	3.0
115.00327	5.0
125.03487	4.3
127.05210	2.8
128.03555	62.9
133.01424	21.7
143.04620	81.8
146.04628	9.8
153.06693	10.2
160.00755	18.3
161.05832	2.3
166.09911	5.1
167.04619	6.1
167.08287	4.8
177.03395	11.7
179.04631	28.7
185.05647	4.1
197.05637	3.1
210.08839	24.8
228.09915	3.7
254.07849	26.8
272.08890	16.6
306.07678	35.3
332.50479	2.8
378.09683	4.2
404.11435	59.2
448.40033	3.3
468.13104	10.2
476.13400	19.7
548.15997	5.5
566.16632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10529	3.2
56.31110	3.4
71.01379	4.1
74.02478	16.1
86.02463	5.0
97.29257	5.0
99.05643	8.6
107.04240	3.6
126.04476	3.4
128.03528	67.5
133.01466	6.4
143.04620	100.0
146.04579	6.2
153.06708	7.3
160.00749	18.2
167.04492	4.4
170.03273	4.8
179.04637	23.6
210.08904	33.1
226.66451	4.2
236.46870	4.7
254.07834	20.3
272.08807	20.6
285.26465	3.9
288.06888	5.1
306.07767	35.5
353.25320	4.3
404.11417	59.1
468.13190	5.3
476.13599	23.1
566.16638	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.96041	1.8
67.33643	1.9
74.90531	2.0
92.88717	2.6
100.13935	2.6
109.58415	2.1
114.01971	4.6
131.04590	9.9
141.05223	2.2
172.78886	2.5
174.75508	2.1
178.92485	2.5
179.11324	2.4
229.04575	3.0
245.06163	2.6
247.05672	5.4
252.02454	2.3
356.52264	3.0
359.12750	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15771	0.5
55.49291	0.6
59.01371	4.0
61.98832	100.0
62.69500	0.5
65.41930	0.6
69.75574	0.5
71.01373	3.8
72.99315	1.0
75.12288	0.6
83.01392	0.9
85.02950	1.0
89.02454	1.2
96.56734	0.6
96.95994	0.6
101.02431	3.2
113.02467	1.0
114.02773	0.8
135.65147	0.6
161.04561	1.2
162.04919	0.8
217.08757	0.9
220.28105	0.8
354.53659	0.8
363.39999	0.8
372.21103	1.1
374.21606	1.2
505.25397	1.5
506.25949	10.5
566.24188	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86431	1.0
66.21867	1.0
88.83112	1.2
99.00871	2.2
103.04918	1.2
115.29656	1.2
125.06053	8.0
169.05072	5.4
180.56703	1.2
187.09320	1.2
216.05136	100.0
223.05222	1.1
447.85248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48016	0.3
61.98831	100.0
62.48943	0.4
66.65040	0.4
91.63113	0.4
95.54174	0.4
152.08418	0.4
176.16031	0.4
180.17815	0.4
192.06569	0.5
201.65558	0.4
233.45860	0.5
254.69807	0.5
346.02396	0.4
566.24158	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05925	1.3
52.94629	1.1
58.00607	2.1
59.01382	28.4
61.98827	6.9
64.83618	1.4
66.28433	1.4
71.01361	2.0
73.02952	8.6
77.57584	1.8
81.02145	1.6
82.02979	34.7
83.83115	1.8
84.00909	2.9
84.04566	1.8
92.22537	2.1
95.94572	1.4
96.04549	2.8
99.40981	1.4
101.50926	1.7
112.04052	9.2
113.29155	1.5
124.04028	3.1
126.01972	13.0
154.05032	3.2
168.02904	2.2
180.63438	1.8
202.07257	2.4
233.59344	1.8
273.22287	6.9
275.20270	2.0
277.21762	100.0
281.24899	6.0
291.23328	43.5
301.21597	1.8
319.22787	7.9
349.11365	1.9
459.07727	1.7
490.71609	1.6
506.32422	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22889	6.5
76.23995	8.1
78.95914	20.8
92.23145	8.2
109.33985	8.9
127.24628	8.4
130.96991	8.9
140.23982	8.8
147.18343	9.4
196.05066	10.3
268.55594	8.7
277.21713	100.0
282.62463	8.8
293.08231	10.6
306.02597	8.7
373.20886	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73439	9.4
51.75787	8.1
54.31936	7.2
63.34443	8.0
72.39983	8.5
78.95901	89.2
79.06496	7.7
92.10200	8.8
152.99503	12.9
256.23505	18.8
277.21780	100.0
326.32617	9.8
337.32184	10.2
338.82535	9.0
566.31744	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61277	0.5
54.26588	0.5
59.01388	9.5
63.99272	0.6
69.21178	0.5
71.70143	0.7
78.95913	2.5
88.98790	1.0
93.27837	0.5
109.01834	0.6
112.23989	0.5
120.00901	0.7
124.37855	0.6
129.85970	0.6
150.84293	0.6
152.99666	5.3
171.38608	0.7
242.07965	1.3
267.23315	100.0
279.23312	0.9
421.46008	0.7
492.31061	42.1
566.34979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25021	0.5
59.01387	8.0
59.03629	0.4
60.58549	0.5
61.98830	0.8
63.18467	0.4
78.95913	7.5
95.31266	0.6
113.56266	0.6
127.41119	0.6
146.27194	0.6
152.99583	3.6
168.04349	2.6
182.55034	0.6
224.06895	8.0
242.08064	1.1
267.23318	100.0
492.31042	65.8
492.38452	0.8
566.12122	0.9
566.34729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74843	1.1
58.09496	1.1
59.01384	10.6
78.95904	10.5
81.46152	1.0
83.11853	1.0
99.14916	1.0
139.74469	1.2
144.38782	1.3
152.99591	7.2
168.04288	2.6
199.62115	1.1
224.06900	7.6
232.70200	1.3
255.23421	2.0
267.23315	100.0
492.31006	67.1
566.11884	1.9
566.32788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1305
Annotation	2,3-Dihydroisoginkgetin
Peak:m/z	Relative Intensity
52.97692	1.2
59.01360	1.5
66.96012	1.3
78.95895	23.0
92.23113	2.2
102.57396	1.3
115.00356	1.6
135.30034	1.4
139.77745	1.3
152.99503	2.4
156.28983	1.5
178.94206	2.2
191.03522	6.0
194.93832	14.9
239.07086	1.4
253.05109	9.7
267.23392	7.1
268.23712	7.8
268.97592	9.8
269.04575	100.0
271.06253	3.3
281.04572	26.1
283.06125	8.6
285.07703	43.8
306.68173	1.5
383.60199	1.6
398.75558	1.9
493.31415	6.3
507.20560	3.0
567.12982	86.2
567.32196	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50600	0.4
78.95927	1.8
79.95740	1.1
96.96004	100.0
96.96885	3.4
122.16984	0.4
126.20322	0.5
137.02457	2.2
138.99147	0.5
164.04861	0.6
195.06787	0.6
205.05130	0.9
209.04630	0.5
209.08359	0.5
255.06789	0.8
265.07166	1.7
301.10931	0.5
469.17349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.14
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72858	0.3
59.01382	0.7
71.84178	0.3
72.99316	0.6
78.16035	0.4
79.95732	0.9
89.02436	0.5
96.96003	100.0
140.25403	0.4
150.03110	0.4
164.04826	0.4
165.05595	0.5
179.03522	0.5
197.04634	0.6
223.06285	0.5
373.09448	1.0
567.16449	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.7
71.01385	3.3
72.99307	4.3
73.02958	1.5
73.66174	0.8
78.95893	1.0
86.44877	0.9
87.00865	1.0
89.02441	4.1
117.01934	100.0
117.05581	1.0
123.04544	1.4
147.46454	0.9
147.84622	0.9
179.03467	1.7
189.04056	3.8
191.05617	12.4
197.04541	9.0
207.05127	79.9
224.16188	0.9
248.97202	1.0
263.37027	0.9
288.62418	0.9
288.75635	0.9
359.09903	10.9
385.43411	0.8
450.14270	0.9
530.98938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01388	10.7
67.56334	0.7
71.01385	1.9
72.99307	4.7
73.02933	1.7
85.02971	1.0
86.18427	0.7
86.22532	0.7
87.00884	1.1
89.02432	6.3
94.22271	0.7
101.99538	0.9
105.83093	0.9
111.89254	0.8
117.01935	100.0
179.03528	3.7
181.40219	0.8
189.04036	4.2
191.05611	6.1
197.04568	9.4
207.05119	79.8
359.09857	12.4
407.26404	0.8
482.05038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
78.23206	0.9
78.95912	1.1
113.02464	1.0
120.21793	0.8
121.02943	1.0
139.04063	1.1
165.01872	3.2
167.69408	0.9
177.02011	1.6
178.02942	1.0
179.03499	4.9
191.03529	12.7
211.07669	1.2
225.05640	1.2
227.07169	1.8
241.08659	1.9
243.06650	4.2
253.05104	1.6
255.06627	3.6
257.08276	1.5
267.06662	5.2
269.04611	33.9
269.08218	70.3
271.06174	4.1
281.04562	9.0
283.06213	3.9
283.09717	0.9
285.07721	100.0
297.07709	5.3
456.30301	0.9
567.17261	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1667
Annotation	Dehydroxyhexaspermone C
Peak:m/z	Relative Intensity
59.01377	1.1
61.98840	1.6
79.29177	0.9
115.27137	0.9
121.02871	1.1
133.01471	0.8
141.95396	0.8
142.15988	1.0
143.18137	1.0
149.02443	1.2
152.99603	1.1
165.01901	2.0
168.44762	0.8
177.01913	1.0
178.02737	1.0
179.03493	5.2
185.30998	0.8
191.03511	14.8
206.14117	0.9
212.71303	1.1
227.07140	3.1
239.07100	1.0
243.06558	1.7
253.05089	1.9
255.06584	1.7
267.06693	4.7
267.23346	1.2
268.23663	1.1
269.04617	18.9
269.08200	83.1
271.06274	1.2
281.04550	4.7
283.06131	3.2
285.07700	100.0
297.07620	5.4
567.17035	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12103	0.9
56.17452	1.1
58.05263	1.0
59.01399	1.3
69.93047	1.1
78.95895	16.5
85.58960	1.1
99.69423	1.2
133.39185	1.1
149.06071	7.5
152.99547	2.1
153.05579	26.8
165.05519	12.9
173.06108	1.3
177.40781	1.1
178.94261	2.2
194.93741	8.6
197.06039	1.8
207.88826	1.3
209.06023	2.7
225.05623	2.9
228.51465	1.4
241.05061	2.5
241.12375	1.2
243.06686	5.7
245.08115	1.4
253.05122	11.7
254.05531	1.2
255.06558	4.5
265.46210	1.2
267.23334	5.4
268.23651	12.4
268.97470	7.5
269.04596	100.0
269.08109	13.9
281.04559	34.6
283.06091	2.7
285.07700	12.3
285.11288	10.0
297.07666	5.4
344.10388	1.6
361.67380	1.5
371.09033	1.6
389.10501	2.4
415.08054	5.4
417.09854	32.8
435.10907	27.8
493.31375	9.2
495.16760	1.3
507.20532	5.1
524.34534	1.3
567.17072	66.4
567.30389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42815	0.4
53.47607	0.5
55.03435	0.4
56.66731	0.4
60.32540	0.5
61.81254	0.6
67.68643	0.5
73.55363	0.5
88.19926	0.5
100.33580	0.5
109.06540	0.9
125.01157	0.6
135.93193	0.6
146.33882	0.5
148.96191	0.5
153.05605	6.5
156.33617	0.6
181.06602	0.6
185.09834	0.8
197.06125	0.8
199.11354	0.9
209.06056	3.8
210.03217	1.0
225.05580	6.4
237.05551	1.0
241.12369	20.0
253.05086	14.9
267.10306	2.4
281.04575	50.1
285.11349	100.0
567.16663	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1669
Annotation	Dehydroxyhexaspermone C
Peak:m/z	Relative Intensity
59.01361	2.4
60.89602	1.2
61.98817	1.7
78.23862	1.3
78.95899	2.4
85.87635	1.0
86.64455	1.3
90.72717	1.1
106.34945	1.0
122.56017	1.2
125.02409	1.2
145.06573	2.0
159.08214	1.2
163.26892	1.1
163.72531	1.2
164.51347	1.2
165.01869	5.1
171.04491	2.6
173.06090	5.1
194.93855	1.5
199.07619	1.4
202.28131	1.1
223.07779	1.2
225.05525	2.0
225.09201	15.0
227.07129	2.5
239.07182	1.4
241.08655	2.6
241.12349	2.6
243.06599	23.9
253.04984	4.7
255.06624	25.6
267.06625	6.3
269.08206	100.0
281.04581	13.1
281.07907	14.9
285.07706	50.7
285.11331	23.0
297.07681	22.0
515.24219	1.5
549.15564	2.5
567.16656	71.6
567.25293	2.4
567.31433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91953	1.0
55.95375	0.9
57.03447	2.8
59.01378	7.8
71.01383	17.5
75.00871	17.3
75.92139	1.0
85.02930	4.9
87.00850	6.1
87.23309	1.2
89.02432	6.3
99.00882	10.5
101.02438	1.7
111.00829	1.3
113.10313	1.2
129.01915	11.6
129.40065	1.0
131.03485	1.2
134.03697	5.7
135.04459	1.2
144.01033	1.2
149.02446	1.8
149.06052	2.6
150.03242	8.5
151.03967	2.4
164.04781	2.1
165.05568	23.5
175.03986	2.8
177.04024	27.6
178.02637	4.6
180.04370	1.7
191.03391	1.2
193.05101	12.9
195.06641	2.8
250.06285	1.4
251.85709	1.3
282.09039	1.8
341.10147	4.2
389.12762	1.1
519.15070	2.4
567.17139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Foliachinenoside A1
Peak:m/z	Relative Intensity
50.72378	0.9
52.49719	0.9
53.32546	1.0
54.71118	1.4
56.37447	1.0
57.03440	1.7
59.01368	5.8
71.01385	16.7
72.99303	1.3
74.99397	1.1
75.00866	18.5
85.02943	8.1
87.00862	8.8
89.02431	2.0
89.54392	1.1
99.00861	9.2
101.02438	2.5
108.45240	1.2
111.00872	2.0
117.79853	1.1
129.01923	11.4
134.03719	6.0
149.05981	2.0
150.03201	5.5
151.03926	2.1
165.05591	18.1
177.04042	49.2
178.02728	1.8
193.05098	12.3
195.06715	1.9
220.72543	1.4
282.08987	2.0
329.14014	2.6
341.10379	2.2
567.17230	100.0
590.05811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1728
Annotation	Caudatoside E
Peak:m/z	Relative Intensity
51.48311	1.1
54.28641	0.9
59.01390	14.7
69.28220	1.1
71.01373	5.8
74.84583	1.1
80.18300	1.3
85.02957	1.7
89.02450	11.9
101.02431	6.3
113.02444	7.0
119.03482	3.2
121.02950	5.6
133.02969	14.1
135.04541	13.6
146.74713	1.3
161.02444	100.0
175.04013	1.6
177.01926	12.7
177.05544	6.9
178.02797	1.9
179.03500	23.4
181.12309	7.2
184.81102	1.2
192.04262	8.7
193.05145	2.4
221.04550	12.8
225.11372	15.6
239.12830	1.7
251.05539	1.5
267.12427	1.5
281.06659	6.7
340.44647	1.5
341.08777	1.8
405.17709	21.7
447.18594	8.0
465.14227	1.6
549.16150	34.8
567.16541	48.0
567.71851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24561	0.3
56.78603	0.3
59.01382	2.5
61.17179	0.4
61.98833	100.0
66.11235	0.4
74.96183	0.4
89.02394	0.4
103.00367	4.9
229.64674	0.5
253.00377	0.5
267.32083	0.4
300.12656	0.5
300.94168	0.4
308.01450	0.4
311.09277	0.6
342.13489	8.4
369.01526	0.6
471.21844	0.5
504.18942	6.7
518.65320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50394	1.1
56.57146	1.3
60.40240	1.2
61.98831	100.0
63.63418	1.2
77.83255	1.3
82.68536	1.1
90.54240	1.4
95.57297	1.4
100.17445	1.3
106.39802	1.3
120.35621	1.7
133.01445	3.4
342.13495	7.9
441.29056	1.5
504.18814	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05091	2.0
59.01378	5.4
59.97511	2.0
61.88058	2.5
65.50548	1.9
69.93595	2.5
71.01375	4.0
72.99310	2.9
73.77129	2.3
91.05511	2.5
93.94045	2.3
108.02144	2.3
115.82228	2.3
134.03745	35.2
135.04538	5.3
149.02438	13.0
149.06113	21.7
150.03117	3.1
163.03999	11.2
164.04747	15.8
176.04837	3.2
178.02747	39.0
178.06303	5.0
179.07094	3.7
190.02776	6.1
192.04315	14.4
193.05049	100.0
196.03853	3.5
205.05049	30.0
207.06610	40.2
219.06630	4.2
240.04280	10.1
265.04974	3.2
283.06116	6.2
295.06152	10.0
298.08527	35.5
300.10184	2.9
310.08600	15.1
311.09909	3.0
313.10794	27.9
325.10944	3.6
343.12003	28.4
359.15039	3.5
373.13000	28.1
463.63632	2.8
469.17163	30.0
489.15485	10.0
507.27164	3.2
537.18237	22.4
549.17419	32.7
567.19092	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97892	0.3
57.97167	0.3
59.01384	1.5
65.61617	0.3
71.01376	0.4
74.41611	0.3
85.02926	2.3
87.00864	0.5
89.02453	0.4
93.03444	0.6
111.04531	0.4
127.03947	0.6
147.79597	0.3
173.04575	0.6
191.05630	100.0
197.22253	0.3
241.26929	0.4
264.51639	0.3
341.37549	0.4
368.77661	0.4
372.75403	0.3
378.31067	0.3
417.92303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87461	0.2
59.01364	0.3
63.22148	0.2
85.02939	2.8
87.00871	1.3
93.03453	0.5
110.97285	0.2
117.01929	1.2
123.67562	0.2
124.39722	0.2
127.04009	0.9
173.04523	0.5
191.05629	100.0
207.05063	0.4
215.36145	0.2
275.81543	0.2
288.89111	0.2
406.76263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42954	0.3
52.35361	0.3
57.39967	0.4
59.01384	1.6
66.50415	0.4
85.02960	3.2
87.00883	0.5
89.02489	0.4
93.03430	0.6
96.96957	0.5
107.59257	0.4
108.97620	0.4
127.04029	0.6
128.03503	0.5
135.24120	0.4
143.04639	0.7
181.70149	0.4
191.05634	100.0
203.62798	0.4
300.76004	0.4
315.07932	0.4
567.17371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
59.28433	0.4
67.41444	0.4
75.29613	0.4
78.95924	0.7
85.02936	2.9
85.98758	0.4
87.00875	2.9
93.03416	0.9
96.96961	0.7
102.97453	0.5
110.24133	0.5
117.01904	1.1
127.03982	0.8
150.89586	0.5
167.29260	0.4
173.04570	0.8
191.05630	100.0
203.92908	0.4
204.06172	0.4
207.05052	0.6
216.29428	0.5
237.06226	0.6
466.66898	0.5
481.67340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.203
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34592	0.3
66.85905	0.3
67.37076	0.2
92.98943	0.3
138.03262	0.5
153.05527	0.5
165.01941	0.7
166.02701	17.2
177.01938	0.6
179.03523	1.2
208.26579	0.3
227.07227	0.6
239.07021	0.4
252.07974	3.1
253.08667	0.4
267.10269	5.3
269.08203	25.1
270.08981	11.0
281.08209	5.2
285.11343	100.0
297.11340	1.8
403.83463	0.3
422.17102	0.3
567.20288	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87225	0.4
54.04259	0.4
63.73493	0.4
67.09181	0.4
77.09003	0.5
78.95905	0.6
82.34505	0.5
94.71999	0.5
104.74815	0.6
108.71485	0.6
123.04518	0.5
139.76707	0.6
147.72778	0.6
149.02484	0.8
151.04031	2.9
152.99597	0.6
153.05579	3.0
168.09346	0.5
171.04552	1.2
173.06116	3.2
173.09756	0.6
177.01947	11.8
179.03435	1.1
190.02759	2.6
225.05643	1.0
239.07150	1.2
241.12363	7.9
253.05034	4.0
253.08629	2.7
267.10300	2.7
281.04660	14.4
281.08185	100.0
282.08212	0.8
283.06253	2.2
283.09772	19.9
285.11343	41.0
297.07434	0.7
305.15884	0.6
311.09225	4.1
337.07233	1.2
567.20984	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16772	0.9
53.17070	1.3
56.74146	1.0
59.01382	22.5
61.06136	1.0
61.98838	1.2
67.50424	1.0
71.01369	12.5
72.99307	1.2
73.02910	1.2
78.95901	25.3
83.01379	1.9
85.02961	2.2
89.02448	8.2
96.96005	1.4
96.96951	5.2
97.02985	1.5
101.02441	8.0
113.02430	4.7
115.04012	10.7
119.03484	5.1
123.04568	1.6
125.09729	2.2
134.03732	2.4
134.60419	1.2
135.04491	7.6
152.99597	7.2
162.04808	1.3
163.03984	18.2
164.04814	6.8
166.02609	2.4
177.05608	2.0
183.06566	2.0
187.09779	9.0
187.14137	1.5
190.02664	8.8
197.04573	1.5
203.10745	1.6
205.05040	14.1
207.03038	7.1
207.10362	1.6
223.06183	2.6
225.11354	6.5
230.09488	1.3
260.14337	1.8
274.08514	2.7
289.10831	2.9
321.09818	1.6
360.22934	2.6
361.23874	3.1
400.86334	1.3
469.17215	100.0
523.28400	2.1
567.20880	33.2
567.30206	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65017	0.7
52.68504	0.7
59.01369	3.4
69.38399	0.8
71.01377	1.1
72.99300	48.7
73.02934	3.7
75.72088	0.9
78.95902	10.4
109.06595	1.4
123.04505	13.6
127.48579	0.8
135.04520	22.9
146.22098	0.9
151.03989	1.2
152.99635	1.7
179.03490	44.1
180.17538	0.9
181.12364	8.7
183.84572	0.9
187.09766	3.3
197.04568	50.3
207.10329	1.0
222.33156	0.9
225.11281	5.1
235.95357	1.0
239.13031	0.8
249.11339	4.2
289.14798	0.9
300.14709	0.9
309.13614	1.0
321.83649	1.0
358.25037	1.0
369.15536	3.5
461.18048	1.2
567.20917	100.0
587.13019	1.0
592.11078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	1.2
59.01387	18.0
71.01382	7.3
72.99311	1.2
73.02952	1.1
78.11514	1.1
78.95890	3.0
85.02936	2.1
87.07085	1.2
89.02443	7.2
96.95989	5.5
101.02451	9.6
102.37328	1.2
110.21004	1.1
113.02437	2.9
115.03989	6.4
119.03485	1.5
134.03673	1.4
135.04469	1.2
149.02431	2.3
160.05342	2.2
163.04016	6.4
164.04793	10.5
175.00427	4.7
177.05608	1.9
188.08409	4.8
190.02724	59.9
190.10007	2.5
203.10788	2.8
205.05066	67.2
223.06145	5.6
255.17680	1.3
260.14053	1.4
273.18689	11.1
292.16943	2.1
301.09143	1.2
360.23083	8.1
361.23892	12.5
368.33511	1.4
404.31088	1.2
423.91800	1.2
469.17181	100.0
567.19141	8.9
567.28510	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
69.49541	1.1
71.01379	2.8
85.02949	2.8
89.02437	2.0
90.33536	1.3
92.22630	1.5
97.02941	1.4
101.02430	1.5
112.98560	1.6
115.04018	4.5
117.03482	1.4
135.04568	2.4
145.02925	7.8
145.60281	1.3
159.04430	1.2
160.05280	7.2
162.03226	1.3
162.44344	1.2
163.04002	24.3
164.04813	7.8
175.07645	20.1
176.01138	4.7
177.05589	6.1
178.02838	1.3
178.06343	16.7
190.02713	2.6
191.03473	6.7
192.07959	7.6
193.04997	1.5
193.08707	6.0
205.05078	6.6
206.05884	2.0
221.08095	2.7
223.06178	5.1
265.07300	4.9
325.09189	2.1
329.13980	100.0
343.10400	5.8
359.15021	31.5
385.11691	2.3
387.14746	2.8
405.15543	1.5
431.01276	1.4
434.35898	1.2
521.20319	14.4
549.16168	14.2
567.18311	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86723	0.9
59.01380	6.4
71.01385	6.2
73.02946	1.8
85.02937	2.2
89.02433	8.1
98.32481	1.0
101.02441	5.2
101.07825	0.9
113.02444	4.9
119.03476	1.6
127.04079	1.0
146.53017	0.9
147.04536	1.5
149.02452	4.0
163.03966	1.5
164.04831	13.1
168.69339	1.2
175.00380	2.1
176.48553	1.0
177.71674	1.1
179.05603	2.5
179.07135	1.6
190.02730	36.7
195.06638	4.5
205.05064	100.0
209.04601	2.1
209.08221	1.8
217.26253	1.0
219.06677	1.7
220.26814	1.0
223.06107	14.6
234.05319	5.0
236.30118	0.9
249.07732	4.4
263.11365	1.1
276.19092	1.1
311.09219	4.2
326.11612	6.7
341.13956	5.5
353.16174	1.3
373.41782	1.1
405.15536	6.7
439.12274	1.3
454.14850	1.6
469.17169	99.7
524.31519	1.2
567.21155	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98822	10.8
66.10121	1.2
66.82194	1.3
68.06791	1.3
71.01371	2.4
75.93333	1.2
85.02921	1.3
96.95980	2.4
101.02426	5.9
118.98045	2.1
121.02972	2.7
122.01608	1.4
130.28593	1.5
135.04485	2.2
147.04489	5.9
149.02437	37.1
152.01134	1.5
159.53546	1.3
164.04799	100.0
165.01939	1.5
170.04695	1.4
179.07083	7.5
190.02690	8.5
191.03590	1.9
191.05620	3.4
193.01436	2.0
197.04507	1.7
205.05055	14.7
208.03781	6.2
223.06146	64.6
324.03113	1.6
352.02902	5.8
469.16653	1.8
503.22711	1.5
519.58618	1.5
567.20709	86.7
567.28253	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2219
Annotation	Lappaol D
Peak:m/z	Relative Intensity
55.56903	0.7
57.06591	0.7
59.01369	3.8
62.05501	0.7
78.95900	100.0
88.87981	0.9
89.02449	1.0
96.96919	1.1
99.00872	3.2
101.02401	1.1
123.04546	0.9
125.09689	13.0
152.99579	17.8
178.02803	1.0
179.03438	0.8
181.12384	3.9
181.75273	0.8
187.09735	19.7
193.05095	3.0
199.13393	1.8
207.10262	4.6
225.11349	10.1
233.03821	0.9
243.12325	7.8
265.07098	1.0
295.74207	0.9
379.11374	1.0
434.85046	0.8
567.22107	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
67.28919	0.6
67.56530	0.6
71.01364	3.8
78.95900	53.7
87.04510	4.6
96.96947	0.9
101.02459	1.0
113.02443	1.1
119.23153	0.7
122.03796	0.9
125.09700	5.0
135.04514	1.7
152.99550	5.7
181.12347	0.9
187.09740	7.9
188.08478	1.3
190.10005	14.8
203.10803	19.9
204.11592	3.5
205.12305	2.9
207.10342	1.1
216.11534	4.1
217.12308	4.6
218.13191	0.8
225.11299	6.9
243.12422	6.2
257.15295	0.9
273.18628	41.6
285.18643	3.9
292.16870	12.2
303.19565	1.1
325.21783	1.5
328.19727	0.8
343.22751	3.5
346.21561	6.2
360.23093	22.3
361.23877	100.0
405.22849	5.8
523.29224	12.4
567.21942	28.8
567.28448	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10368	0.8
66.20418	0.8
70.51510	0.7
99.05084	0.8
108.31450	0.9
110.88666	0.9
117.29756	0.9
121.02934	1.4
121.42751	0.9
122.42775	0.8
145.02982	1.0
148.01682	1.5
149.02438	44.5
150.03206	1.8
164.04813	17.6
179.07214	1.4
299.09485	1.2
299.12897	5.2
313.10797	1.5
324.64862	1.1
325.10880	1.9
327.12436	15.9
328.13205	33.6
329.10223	7.9
330.11227	3.2
341.10269	10.2
341.13995	2.7
343.11893	1.7
343.15390	2.9
344.12692	15.7
344.49625	0.9
355.11865	1.3
356.12564	1.9
359.15060	16.4
371.15149	9.1
461.16150	6.0
463.17609	6.9
477.15588	1.5
492.18118	1.5
493.18378	1.4
507.20157	14.8
519.19897	1.2
537.21411	100.0
567.22638	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17165	0.7
51.48500	0.7
59.01381	0.8
76.69142	0.7
80.42099	0.8
81.59395	0.7
88.07220	0.8
92.22559	1.3
92.84316	0.8
121.02895	0.9
127.62017	1.1
149.02434	47.1
150.03180	1.2
160.26176	0.9
163.03995	0.9
164.04799	17.6
179.07153	3.2
196.18123	0.8
234.05353	3.2
249.07600	1.7
283.09573	1.4
285.11380	1.3
297.11362	1.8
298.12067	1.3
299.12921	5.8
313.10989	1.8
325.10815	1.4
326.11600	1.6
327.12436	16.0
328.13187	35.4
329.10318	8.8
341.10254	9.4
341.13818	2.1
343.11655	3.8
343.15503	4.2
344.12747	16.4
345.13477	3.5
355.12134	0.8
356.12640	3.2
359.15030	17.4
371.14978	9.0
461.16138	6.5
463.17676	6.7
492.18301	3.2
493.18671	1.2
507.20239	13.0
519.20270	3.3
537.21350	100.0
567.22113	6.1
583.28381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.8
59.01385	42.3
61.98832	5.0
71.01012	1.0
71.01382	22.3
72.99304	0.6
73.02947	3.3
83.01399	1.1
84.74875	0.5
85.02946	3.8
87.00855	0.6
87.04507	2.4
89.02442	39.9
95.01377	0.9
95.05018	1.0
97.02943	0.7
99.04528	2.0
101.02450	21.0
101.06400	0.5
105.84174	0.5
113.02454	15.3
119.03496	14.2
139.11377	0.5
143.65190	0.6
161.02412	2.3
163.11296	12.3
164.25423	0.6
177.12810	0.6
179.05661	0.9
181.12360	58.5
183.10284	0.6
191.05682	1.0
195.13889	3.9
205.12341	1.0
207.10277	8.4
223.13470	1.2
225.11348	100.0
239.12921	11.8
243.12361	0.9
249.11256	0.8
267.12393	14.1
327.14264	1.3
387.16742	6.4
405.17740	53.7
447.18817	9.2
477.19870	8.1
507.20905	28.2
549.22546	0.9
567.23145	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55886	1.0
59.01384	40.7
61.98825	1.2
64.19830	0.7
67.19002	0.7
75.00869	3.2
102.25362	0.8
103.00372	100.0
108.27594	0.9
156.66862	0.7
185.82355	0.8
199.73857	0.9
214.51994	0.7
390.54373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18141	0.8
53.91806	0.8
57.03448	1.0
59.01381	48.6
71.01376	25.4
73.02937	4.2
73.46549	1.0
77.04263	1.1
85.02941	1.7
87.00890	1.4
87.04529	1.6
89.02444	48.9
94.91352	1.3
95.01331	1.1
97.02921	1.3
99.04483	1.9
101.02447	22.8
113.02448	12.4
114.24588	1.2
119.03498	20.2
122.37090	1.0
129.76657	1.1
131.03496	1.0
132.42851	1.1
144.42563	1.0
150.03229	1.8
160.01520	1.2
163.11263	10.4
165.05569	4.2
170.95894	1.1
179.05602	1.3
181.12347	56.2
195.06628	1.4
195.13916	4.5
199.80870	1.0
206.05827	1.2
207.10295	11.2
221.08269	1.9
223.13457	2.4
225.11337	100.0
230.16489	1.2
239.12929	12.6
249.11473	1.7
263.11450	2.3
267.12387	17.6
327.14572	1.3
357.13455	1.4
387.16565	4.8
405.17694	58.6
405.22986	2.2
427.50751	1.3
447.18878	11.9
477.19623	9.8
507.20898	47.4
523.98145	1.1
525.72675	1.3
537.20306	1.5
567.23083	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.4
59.01378	41.1
65.20652	1.0
67.29580	1.0
69.14778	1.0
71.01374	20.0
72.99306	1.6
73.02952	2.9
85.02933	2.7
87.04498	1.6
89.02436	37.4
99.04507	2.7
101.02436	19.3
113.02442	15.5
118.08828	1.1
119.03501	15.9
161.02490	6.4
163.11320	7.5
179.05632	1.9
181.12350	56.4
191.03580	1.7
195.13965	5.7
207.10312	7.5
221.08289	2.0
223.13492	1.9
225.11322	100.0
239.12921	12.2
257.77115	1.2
267.12433	15.2
338.25113	1.5
387.16776	5.5
405.17715	63.6
425.56586	1.3
447.18549	9.2
477.19760	8.9
507.20850	36.3
549.16205	1.5
567.23334	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96992	0.4
52.42566	0.5
59.01392	0.7
82.83064	0.7
88.68221	0.7
93.03454	32.5
96.95979	1.3
103.41866	0.6
137.02443	100.0
149.60402	0.6
237.11310	1.3
257.19885	0.6
420.37799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
62.51479	0.8
65.16849	0.9
71.00549	0.9
71.01385	2.4
78.95900	23.1
81.13695	0.9
85.02967	1.1
86.35883	1.0
86.76250	0.9
87.04520	4.3
92.23064	1.3
98.67252	0.9
101.02443	1.2
104.96315	0.9
106.02432	1.0
135.04517	1.2
152.99643	1.7
188.08403	1.1
190.10042	13.7
203.10783	18.1
204.11514	1.3
205.12373	2.4
216.11548	2.4
217.12325	6.0
225.11270	1.4
229.12144	1.1
230.13191	1.5
243.12355	1.8
258.16257	2.0
273.18634	39.6
285.18655	2.4
288.17538	1.2
292.16815	14.0
318.18393	1.0
343.22815	4.4
346.21472	6.0
360.23126	22.4
361.23883	100.0
364.75793	1.1
405.22797	6.8
523.29193	15.5
567.21570	6.8
567.28912	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39487	1.6
53.17437	1.9
56.35430	1.7
59.01382	100.0
68.16959	2.2
71.01379	24.6
73.02948	21.8
83.01415	5.1
85.02947	11.6
89.02436	25.8
96.96018	2.7
101.02443	25.7
113.02441	38.7
119.03481	4.6
120.96992	2.2
131.03535	2.1
151.11314	5.1
161.04543	16.3
179.05641	2.8
220.24181	2.3
312.96982	2.0
313.01215	2.2
345.24356	2.3
463.27301	20.6
481.28067	9.3
507.29825	4.9
523.29193	58.1
533.48633	2.6
567.31854	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01379	11.0
73.02936	3.0
85.02945	3.3
89.02442	2.3
89.82431	1.1
96.96010	2.0
101.02438	10.2
104.83659	1.3
113.02448	9.9
114.47716	1.4
135.98566	1.5
161.04576	2.2
193.82257	1.8
317.21445	1.8
341.43100	1.4
463.27283	5.9
481.28098	2.6
523.29132	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98811	1.7
62.84549	1.4
70.97984	1.4
71.01363	12.2
73.02944	13.0
85.02945	1.8
89.02444	7.9
98.23061	1.5
101.02438	12.1
113.02445	9.9
119.03489	3.1
161.04526	2.4
179.05640	2.0
186.42514	1.6
258.12341	1.6
328.79233	1.8
390.69165	1.8
426.33481	1.8
463.27216	7.0
481.27829	2.3
523.29193	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92019	0.8
59.01385	7.7
68.75671	0.7
71.01376	5.9
72.99328	1.4
75.24555	0.9
85.02942	1.4
87.04514	7.5
89.02446	3.6
93.74245	1.0
96.96020	1.2
97.03864	0.9
98.80015	0.8
99.08179	1.7
101.02455	4.8
108.02129	0.9
113.02460	1.3
123.04512	1.0
135.04514	3.5
145.08679	7.5
149.06093	1.0
151.68323	0.9
161.06099	1.1
164.04846	1.5
182.23441	0.9
188.08437	1.4
190.02759	5.5
190.10010	22.0
203.10774	18.9
204.11630	3.1
205.05014	10.0
205.12410	3.6
216.11575	7.8
217.12267	6.8
230.13008	1.8
255.17659	4.3
273.18637	45.9
285.18802	5.1
287.63226	1.0
292.16855	9.7
302.19077	1.5
325.90970	0.9
343.22641	5.9
346.21536	7.5
360.23111	12.6
361.23877	100.0
469.17227	13.8
567.28363	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2822
Annotation	Hativene B
Peak:m/z	Relative Intensity
55.26433	0.6
57.42418	0.8
59.01383	23.0
66.04781	0.6
71.01380	7.9
72.99283	0.8
73.02956	0.7
76.46871	0.7
81.09830	0.7
85.02921	1.2
89.02451	7.2
101.02438	7.3
104.37836	0.8
108.02167	9.7
113.02436	2.9
119.03502	3.3
121.02952	3.5
122.03719	1.1
123.04517	18.1
135.04572	0.9
162.03235	3.8
167.03465	1.7
175.07671	19.2
177.05602	3.8
179.03500	1.2
192.07898	1.6
197.04713	0.9
208.11110	3.5
217.08713	1.0
242.13135	1.1
260.14136	1.3
327.19852	1.1
363.35449	0.9
389.12372	1.0
400.96481	0.8
422.19543	13.1
456.34903	0.8
507.26245	1.4
549.27173	7.3
567.28241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15960	2.3
55.88416	2.6
58.31091	3.0
59.01381	100.0
67.58707	2.7
67.70396	3.0
71.01380	19.5
73.02936	6.3
83.01380	6.7
85.02963	14.0
96.55097	3.1
101.02454	30.1
111.04576	3.7
113.02412	15.3
124.40586	3.1
151.04041	4.3
181.05005	5.7
248.10988	2.9
463.27176	7.7
479.48962	3.4
481.28265	36.8
523.29401	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2822
Annotation	Hativene B
Peak:m/z	Relative Intensity
58.17995	0.7
59.01102	1.2
59.01384	25.3
60.66739	0.7
71.01389	6.5
72.99299	0.9
74.16907	0.7
80.89689	0.9
84.24578	0.8
85.02961	1.4
89.02432	7.2
92.35951	0.9
99.60615	1.0
101.02409	6.2
108.02173	11.2
113.02458	3.4
119.03510	1.5
121.02972	1.9
122.03739	1.9
123.04515	17.1
131.03296	1.0
135.04553	1.1
149.02478	2.0
150.03203	7.2
159.04453	0.9
162.03229	3.9
164.04782	3.9
165.05562	8.4
167.03491	1.7
175.07635	22.2
176.08412	0.9
177.05618	3.7
180.04118	1.1
183.93486	0.9
192.08023	1.2
195.06776	1.5
206.62032	0.8
208.10976	2.9
217.08719	1.1
242.13208	1.8
260.14136	1.8
265.08612	2.0
323.05835	1.0
326.08017	1.2
341.10486	1.4
353.10400	3.5
420.17694	1.0
422.19525	13.4
489.15982	1.0
507.26129	3.8
519.16669	6.9
549.27362	6.2
567.19318	7.5
567.28210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83670	1.1
54.69685	1.2
59.01384	100.0
71.01376	3.9
73.02921	1.8
74.09924	1.4
85.02963	2.1
101.02449	6.2
113.02431	2.6
131.90317	1.4
161.04582	3.0
292.16806	8.1
320.27676	1.6
383.55292	1.7
523.29218	69.5
594.37982	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50666	0.5
55.25847	0.6
55.52665	0.7
59.01389	0.8
61.07800	0.6
68.65638	0.7
71.01371	4.2
73.02962	0.8
78.95933	0.7
78.98587	5.1
79.95744	1.7
80.96511	36.5
85.02954	1.5
87.00861	1.7
94.98071	10.8
96.95995	0.7
97.02945	1.1
101.02410	1.3
106.98069	1.0
122.97546	4.0
125.02406	3.3
134.97560	4.6
146.97545	1.0
148.99072	7.4
152.98637	7.7
164.98627	14.9
181.90996	0.8
206.99704	3.5
225.00777	24.7
267.23328	3.4
295.60675	1.0
299.04437	4.5
306.16879	0.7
313.95547	0.8
567.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05708	0.8
59.01371	0.9
59.64326	0.6
61.98823	1.0
62.73889	0.8
71.01376	4.2
78.98581	4.5
79.95741	3.0
80.96513	39.8
83.65124	0.7
85.02940	1.2
87.00883	1.4
89.61398	0.6
94.98071	13.0
96.95995	1.2
97.02927	1.2
101.02436	3.3
106.98083	1.8
122.97569	1.5
125.02430	5.2
127.03996	1.1
134.97562	4.7
136.99120	1.8
148.99130	7.1
152.98660	9.2
164.98627	14.9
187.82167	1.0
188.98735	0.8
206.99760	1.7
225.00726	24.1
267.23294	3.7
290.51254	0.8
299.04425	5.8
316.20135	0.9
338.88870	0.8
523.97760	1.0
551.72455	1.0
567.28516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74379	0.6
55.01863	0.8
59.01110	0.8
59.01384	17.1
60.28725	0.6
63.75754	0.6
71.01382	25.7
73.02940	12.7
81.20470	0.7
83.01388	3.2
85.02944	12.7
87.00860	0.8
88.27299	0.7
89.02439	11.0
95.01399	1.6
95.40349	0.6
96.95997	3.2
97.02932	1.3
99.00877	6.0
101.02438	35.4
113.02454	18.0
119.03513	1.5
125.02422	0.9
129.01955	0.9
131.03534	1.2
134.03769	1.1
135.04527	4.1
137.02597	0.7
143.03545	1.1
149.06099	1.2
159.03018	3.1
161.04547	13.3
175.07487	0.9
178.02705	1.3
193.05075	3.2
207.06570	1.2
274.15842	1.1
275.16580	4.3
298.08572	1.3
313.10806	1.0
343.11826	0.9
373.12991	1.3
375.24005	21.2
415.90320	0.9
480.14621	0.8
507.28162	100.0
523.21643	3.5
537.17529	1.3
567.18756	1.4
567.27893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07922	0.8
52.84922	0.7
53.16881	0.8
54.47122	0.8
59.01387	21.6
65.01517	0.8
65.37555	0.8
71.01382	27.2
73.02944	10.0
83.01381	4.2
85.02950	10.0
87.00883	1.2
89.02434	11.9
95.01357	1.1
99.00868	5.7
101.02439	38.3
111.00829	1.0
113.02448	16.7
119.03498	2.3
129.01869	1.1
131.03543	2.4
134.03612	1.0
139.94685	1.0
142.91310	0.9
143.03464	1.2
149.04520	1.2
159.03003	1.3
161.04533	11.2
164.04762	1.1
190.02614	1.4
193.05028	4.6
205.05083	6.4
207.06656	1.5
298.08594	1.9
314.08002	1.1
329.55615	1.1
375.23950	16.5
469.17151	5.6
507.28162	100.0
567.20105	3.2
567.29730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33323	1.0
59.01381	100.0
61.98826	1.4
69.57558	0.9
71.01379	1.4
73.02932	1.1
85.02950	1.5
101.02439	5.2
111.39571	1.0
121.29129	1.1
126.99985	1.1
161.04565	1.3
309.47482	1.1
436.80792	1.1
447.27609	8.1
465.28452	6.1
507.29739	28.5
560.98987	1.2
567.31091	6.0
568.61371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3184
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
51.29339	3.0
57.03474	3.0
58.44295	3.7
59.01102	4.9
59.01382	100.0
59.05269	3.0
63.65141	3.2
69.53383	3.3
71.01377	8.7
82.45655	3.6
83.01385	5.3
85.02943	7.9
101.02438	16.6
108.98040	3.7
113.02475	8.8
212.29990	3.9
236.64925	4.4
345.24164	3.8
361.23907	7.3
363.25421	23.1
507.30090	51.5
525.30847	43.0
567.31812	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3183
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
57.03446	3.2
57.48329	0.7
59.01385	12.1
61.98838	0.7
64.55927	0.6
69.03463	1.4
71.01378	5.1
73.02935	1.0
74.15431	0.7
89.02431	5.4
89.10117	0.8
89.31255	0.7
97.06593	8.1
101.02440	3.3
113.02430	7.0
119.03529	1.5
151.11287	64.8
167.10793	1.1
167.71768	0.7
169.12346	24.5
177.09215	3.2
193.12364	1.7
195.10239	6.0
213.11349	10.1
220.33211	0.9
237.11304	6.7
346.18698	0.8
567.31873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85054	1.8
58.30808	1.9
59.01382	100.0
59.91825	2.0
71.01374	20.0
72.88091	2.4
73.02935	5.2
74.67117	2.0
78.95892	2.4
83.89043	2.1
85.02930	3.3
101.02419	18.4
113.02469	8.9
117.31055	2.3
153.08122	2.2
161.04514	10.0
185.33191	2.2
222.01834	2.8
261.17508	2.6
345.24307	11.0
397.56985	2.7
405.18399	2.3
417.26575	9.1
507.29684	46.3
567.32159	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88900	0.7
55.01878	1.4
57.38306	0.8
59.01384	100.0
63.57117	0.7
67.06410	0.7
71.01380	20.0
71.17469	0.7
72.99327	1.1
73.02949	9.5
73.41998	0.7
83.01382	5.4
85.02944	12.4
89.02423	1.1
95.01409	2.9
96.96004	1.2
97.02977	0.8
99.00879	5.1
100.84054	0.8
101.02441	27.2
113.02444	10.1
125.02445	1.0
143.03537	1.5
159.03024	1.2
161.04573	1.5
161.58299	0.8
301.21967	1.2
310.60522	1.0
315.23331	1.7
317.21207	3.2
319.22879	1.8
327.23071	0.9
343.22812	1.5
345.24329	7.0
347.22256	1.7
361.23993	10.3
363.25476	23.8
462.89587	0.8
507.29718	43.6
525.30768	30.3
567.31897	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49420	0.7
57.06119	0.7
59.01379	50.5
59.77436	0.7
62.53416	0.9
89.80763	0.9
92.23131	0.9
99.70576	0.9
101.14282	0.8
103.40448	0.8
103.85242	0.9
112.52956	0.9
115.20081	0.8
123.04519	10.4
151.11263	4.7
153.05568	23.4
153.49506	0.9
169.12317	31.6
171.10252	36.5
231.12439	3.4
262.25372	1.2
279.23300	37.8
287.15042	2.1
305.15997	3.7
567.39111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3908
Annotation	Rathbunioside R1
Peak:m/z	Relative Intensity
51.38044	0.7
54.24142	0.8
54.51761	0.8
55.32522	0.6
59.28084	0.8
71.01375	8.2
74.40442	0.8
77.51108	0.7
78.18057	0.8
79.66560	0.8
83.05019	16.6
87.00875	13.9
89.02436	95.3
109.06561	1.3
149.92764	1.1
173.08160	1.6
194.76834	0.9
195.17595	1.6
199.07529	1.0
215.77449	1.0
249.09627	0.9
250.37831	0.8
285.03815	0.9
329.42789	0.9
549.49017	0.9
567.39087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77385	0.8
58.94873	0.6
59.01380	43.4
74.61606	0.7
98.83187	0.8
144.76163	0.8
145.15228	0.8
151.11305	6.5
169.12350	28.3
171.10260	35.7
215.19049	0.9
231.12434	4.1
248.69548	0.9
270.33124	0.9
279.23309	49.2
287.14932	1.5
305.16174	4.0
358.52277	1.1
454.20825	0.9
516.08734	0.9
567.39093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60924	0.9
55.31336	1.0
56.41414	0.9
57.03435	0.9
80.75579	1.1
82.68251	1.0
88.93186	1.0
108.49001	1.1
113.09740	1.8
129.09209	4.9
139.11263	4.5
139.81345	1.1
169.12312	4.4
171.10275	18.8
181.12363	4.4
183.10220	1.9
183.13933	2.3
185.11867	6.2
197.11816	12.1
199.13452	8.1
201.11250	2.0
211.13399	18.1
255.23317	100.0
275.20178	1.8
293.21225	15.6
311.22321	79.6
418.08261	1.2
520.64136	1.3
567.37476	2.8
567.46368	73.5
579.91846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
63.13661	0.3
85.02937	3.1
87.00881	1.1
89.51905	0.2
93.03445	1.2
111.04543	0.3
112.52386	0.3
127.03999	0.3
133.83868	0.2
147.04541	0.4
173.04539	0.5
191.05637	100.0
270.68875	0.3
322.72540	0.3
530.32758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68999	0.3
70.11601	0.4
79.13647	0.3
86.88406	0.4
90.21403	0.4
101.02438	7.3
115.07613	0.5
128.03528	0.6
130.08733	100.0
172.09785	2.6
191.05659	7.9
192.05988	2.6
202.10875	16.6
214.10864	0.6
232.11951	0.9
244.11992	0.9
257.99887	0.4
292.14059	13.9
302.13882	0.4
328.59100	0.5
431.92813	0.6
517.90796	0.5
533.72656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90612	0.8
54.95293	0.7
64.85826	0.7
71.01392	0.8
72.02217	0.8
78.95901	27.2
96.96938	1.6
114.45242	1.2
131.85674	0.8
133.01408	1.9
138.22676	0.8
140.01180	1.1
146.80429	0.8
146.97682	0.8
152.99586	100.0
168.96721	0.8
171.00652	3.4
196.03810	6.9
199.30540	0.9
247.48863	0.8
255.23318	64.7
269.04614	2.1
270.04861	1.8
312.04779	0.9
409.23587	1.4
452.27835	9.4
568.13513	3.9
568.28998	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.9
61.98827	16.5
75.00867	3.3
81.44289	3.1
81.51117	2.9
82.02977	29.3
90.11916	2.9
92.23180	4.5
93.22260	2.7
93.24017	3.0
112.04033	6.8
119.55085	2.7
124.25633	2.7
126.01944	13.2
133.83447	2.8
188.78195	2.9
198.07585	2.8
214.14772	2.7
215.12865	4.8
260.50641	3.5
279.23303	100.0
293.24899	37.6
321.24332	5.7
341.12952	3.4
358.00244	3.2
530.51990	3.2
568.39886	22.1
593.43060	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98140	4.9
59.01403	6.1
74.14626	7.0
78.86266	5.4
83.70431	6.4
87.57718	5.6
116.78077	8.0
217.88939	6.7
279.23306	100.0
332.14124	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
73.64314	4.3
86.15078	5.2
123.80592	3.9
177.13849	5.6
198.47116	4.5
199.41826	4.2
263.11133	5.4
264.00317	5.6
267.92957	5.2
274.29321	5.1
279.23334	100.0
304.73273	5.2
568.43457	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42144	1.3
58.61658	1.1
59.01370	6.7
60.98901	1.3
63.05668	1.3
70.09574	1.3
72.19460	1.4
86.48538	1.4
97.06589	2.4
125.09717	59.3
139.11305	17.1
152.10802	6.3
166.12257	1.7
168.65109	1.4
170.11816	2.9
183.10268	12.9
186.11368	23.7
197.12939	1.8
200.12953	7.6
201.11259	1.7
278.21204	2.9
292.22769	7.3
322.20303	7.0
336.21915	14.0
339.22958	10.8
348.22314	1.5
353.24454	22.2
381.23901	2.4
460.15460	1.9
524.29340	3.1
568.36078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.0
61.98835	0.4
62.13388	0.4
68.26466	0.5
78.95906	8.1
97.12693	0.5
113.63068	0.5
115.94046	0.5
115.95000	0.4
116.66710	0.5
152.99576	2.9
168.04295	2.4
191.92015	0.5
224.06911	9.1
242.07973	0.6
256.23541	0.5
269.24893	100.0
425.59424	0.6
494.32596	61.3
568.36389	0.9
597.94489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
61.98846	1.0
78.95898	5.9
82.89413	0.7
91.32282	0.8
111.26874	0.8
123.53963	0.8
152.99568	1.4
153.57253	0.8
167.02232	0.8
168.04326	3.3
224.06924	5.3
242.08179	1.3
269.24878	100.0
361.15332	0.9
494.32578	54.9
505.05893	1.1
568.36145	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48089	0.7
63.87704	0.9
73.69135	0.9
83.05009	1.2
97.06570	1.6
111.08151	37.0
125.09709	11.5
128.10828	0.9
146.04570	1.4
152.10764	3.4
158.08241	1.6
172.09805	30.1
181.15973	12.7
186.11337	8.1
211.13460	1.3
225.14967	30.7
225.17050	1.8
228.15923	1.2
242.17627	17.0
243.16029	4.6
255.23378	1.1
300.41290	0.9
308.18903	2.1
325.21368	22.3
378.26520	1.3
381.27512	3.7
395.29163	10.6
445.62878	1.1
568.39752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58844	0.6
97.06547	1.4
101.40367	0.5
111.08147	1.0
117.05880	0.5
123.08173	0.7
125.09709	45.8
130.31709	0.5
152.10828	2.9
167.14407	14.5
169.08672	1.4
170.75757	0.6
172.09818	2.4
186.11356	32.5
186.13028	1.0
194.15497	0.6
211.13408	29.8
228.16031	25.7
229.14384	8.6
243.86176	0.7
278.21078	0.6
322.20486	4.3
339.22943	23.2
364.24924	3.0
376.83517	0.7
381.27670	16.5
401.18530	0.7
568.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37928	0.6
52.49252	0.5
57.03444	0.8
59.01359	0.9
61.98840	0.6
63.01202	0.5
73.87074	0.5
79.88950	0.5
92.23052	0.6
97.06544	5.1
123.08173	1.0
125.09711	92.3
126.48286	0.7
153.12860	3.2
163.66359	0.7
169.08723	1.4
183.10315	0.6
186.11365	53.9
194.15520	2.5
195.06985	0.7
197.11845	4.1
214.14459	2.8
215.12897	0.8
320.25967	3.2
353.24429	3.9
364.24939	5.6
381.27634	44.1
381.32562	1.5
519.29047	0.8
568.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62021	1.3
60.04529	3.4
60.64921	1.7
64.09393	1.4
66.05706	1.4
73.02945	3.3
86.04118	1.6
87.68483	1.7
88.42891	1.6
92.86791	1.6
125.89964	2.1
133.70190	1.7
140.61209	2.1
148.70740	1.7
157.12108	2.0
225.22246	44.1
253.21815	15.7
266.24826	3.4
270.24530	2.9
271.22791	11.9
304.12061	1.9
314.26917	8.7
568.49548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78782	3.1
54.28002	3.9
73.50418	3.6
81.79481	4.1
88.04062	4.2
136.16426	4.6
145.69000	4.4
169.24394	4.3
225.22202	61.2
253.21710	10.0
271.22784	7.9
289.46744	4.7
298.45813	4.4
501.15475	5.5
568.49329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0731
Annotation	Aurofusarin
Peak:m/z	Relative Intensity
68.03117	0.8
70.87179	0.9
72.70675	0.8
106.02572	1.0
152.99596	2.2
153.05629	1.0
160.71349	1.1
191.03548	6.3
205.22708	1.1
210.71603	1.2
273.97549	1.0
297.03992	2.2
308.08704	1.0
309.03842	1.6
407.07831	1.1
432.63104	1.2
439.04834	1.1
454.06693	1.4
457.09543	1.2
467.04214	7.8
471.03497	1.6
481.05933	1.2
482.06509	4.3
483.07205	6.6
485.05255	3.4
486.05960	6.9
495.03604	6.0
500.07410	1.7
501.08499	9.7
509.05209	4.8
510.06024	11.3
511.03220	4.0
552.07635	1.9
569.07312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76700	0.2
53.07706	0.2
59.01385	5.2
65.24847	0.3
69.65206	0.3
69.84110	0.3
79.95732	1.2
92.22517	0.7
96.96004	100.0
103.80246	0.3
113.02457	0.8
125.17168	0.3
134.32782	0.3
137.02394	0.4
150.03351	0.3
156.71146	0.3
158.48853	0.3
569.30042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1455
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
59.01361	1.8
77.28457	1.1
78.95885	1.2
83.81454	1.1
89.83640	1.0
98.86041	1.0
127.03933	1.5
130.10867	1.0
130.75124	1.1
131.33470	1.0
147.84338	1.2
151.00381	1.4
152.99577	2.3
165.01913	2.2
173.05998	1.1
177.01881	6.3
179.03497	1.2
191.03513	2.2
195.33035	1.1
211.07657	1.1
220.98167	1.1
237.05565	7.4
239.07152	4.1
241.08766	2.4
243.06276	0.9
253.04944	2.6
253.21622	3.9
265.05075	9.0
267.06601	4.0
271.06137	100.0
283.06058	27.2
283.09677	5.6
284.39853	1.2
285.07678	62.5
286.69553	1.0
301.10693	5.4
309.76822	1.2
339.56744	1.2
569.14398	84.0
589.77173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62032	0.3
57.03452	1.8
60.84207	0.3
67.01890	2.1
68.98698	0.4
71.20087	0.3
73.32269	0.4
74.07996	0.3
85.02944	0.8
87.00870	8.5
89.02429	0.6
111.00876	100.0
154.99796	0.4
158.33478	0.4
165.51321	0.4
170.13321	0.4
173.00914	11.2
191.05621	0.6
204.47592	0.4
360.67429	0.4
427.90820	0.4
432.15948	0.5
569.17316	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48857	0.4
57.03453	1.0
59.01400	0.4
61.18942	0.5
64.65623	0.4
65.61761	0.4
67.01896	2.0
71.01377	0.4
85.02943	1.0
85.72264	0.4
87.00872	8.0
89.02435	0.7
90.46577	0.4
91.73370	0.4
97.50063	0.4
101.02423	0.6
105.80617	0.5
111.00877	100.0
129.01961	0.6
173.00923	7.7
191.05623	9.7
214.15727	0.4
235.49315	0.4
439.99911	0.5
474.52960	0.5
497.69299	0.5
569.17273	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1807
Annotation	Sanggenon B
Peak:m/z	Relative Intensity
65.92438	7.8
70.13766	8.2
78.95914	19.8
85.52046	8.7
103.90372	8.3
150.03186	14.2
152.43890	10.4
165.05579	10.5
193.04993	12.2
250.46426	11.8
270.43979	10.1
373.00021	10.0
448.29303	9.5
470.74652	10.1
569.19025	100.0
569.28961	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61967	0.9
56.70358	1.0
57.03453	1.6
59.01379	1.7
63.16976	1.1
71.05034	4.6
78.95901	1.7
79.76899	1.1
85.02953	4.9
97.02948	6.1
99.04530	1.1
109.02953	5.6
113.02428	1.5
125.06119	2.1
127.04000	24.2
131.05026	1.6
147.08142	1.8
149.06134	2.1
151.00346	1.3
151.04077	2.9
152.04822	2.3
152.99590	9.0
160.99211	1.2
163.00397	2.7
169.05157	5.1
173.06075	18.3
176.11096	1.3
185.06168	1.2
186.07024	1.5
186.09044	1.2
191.03571	1.9
227.07341	1.6
239.10866	5.9
241.01279	1.9
241.08698	29.2
242.09285	1.2
243.06802	1.4
245.08205	15.7
253.21759	3.0
255.10335	4.9
257.11896	6.5
259.09851	5.4
267.06778	7.3
269.04700	2.3
269.08054	2.0
271.06250	7.9
283.06699	2.7
283.09763	57.9
285.07803	5.4
299.05756	5.6
301.10837	83.2
323.09406	1.4
407.24667	2.8
447.07599	2.8
509.16602	6.0
569.18439	100.0
569.27496	7.4
587.99896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08017	0.6
55.72697	0.7
59.01384	6.5
61.35378	0.7
62.59726	0.7
85.02949	1.3
89.15566	0.6
91.92297	0.6
95.01347	1.0
97.02930	3.1
113.02438	4.6
125.02435	5.1
126.79388	0.8
152.58405	0.9
152.99608	1.2
165.01912	8.5
167.03534	1.2
171.04485	1.2
173.06059	5.1
177.01915	1.5
178.02681	1.7
183.08084	1.1
197.09727	1.5
201.09258	1.1
225.09247	15.2
227.07199	5.9
229.08508	0.8
241.08652	3.2
243.10251	3.1
245.08211	14.2
257.08243	12.4
269.08209	100.0
269.24945	8.2
270.25229	16.3
281.04843	1.6
281.08130	17.9
282.04776	1.1
282.34540	0.8
285.11383	0.9
286.11639	1.4
287.09268	47.3
299.06021	1.4
299.09271	28.6
494.32571	1.1
495.32880	10.1
551.17218	3.3
569.18176	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47861	3.5
59.01389	3.1
59.18142	3.8
59.77569	3.0
78.95939	4.9
94.78670	4.0
126.19533	3.9
139.04076	5.3
160.34935	4.4
227.10785	9.0
243.06641	21.4
255.06635	22.2
271.09833	100.0
283.09827	24.8
285.07681	76.2
297.07626	19.6
338.01071	3.7
374.81006	4.2
431.71210	4.3
540.84698	4.8
569.18292	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15029	1.0
51.72282	1.1
53.98414	1.1
59.01366	2.2
78.95859	1.2
79.15186	1.1
89.66706	1.0
92.22454	1.2
103.88460	1.2
136.20386	1.1
139.04034	8.7
145.90974	1.2
151.00320	1.2
165.01927	1.6
171.04529	2.7
173.06091	7.3
185.09657	1.4
202.24315	1.5
225.09279	1.5
227.10797	16.6
241.08586	1.7
242.05664	1.4
243.06628	26.8
253.08665	5.3
255.06670	22.4
262.41135	1.6
267.06677	2.8
269.08029	2.0
271.09775	100.0
283.09781	15.7
285.07706	68.1
285.10870	2.2
287.09213	1.4
297.07684	17.7
330.81931	1.2
361.70459	1.3
392.96375	1.5
551.16809	2.8
569.18195	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22528	0.9
59.01382	1.3
60.87344	0.9
74.31705	1.1
83.01373	1.0
85.02965	1.1
95.01385	1.2
102.69860	1.2
105.30371	1.3
113.02441	5.8
121.02915	1.5
123.04522	1.1
125.02431	6.4
152.99612	1.4
165.01952	8.8
173.06088	6.2
177.01884	1.2
225.09238	12.0
227.07112	5.2
241.08658	2.6
243.10298	2.2
245.08202	16.7
257.08170	13.6
269.08221	100.0
271.09259	1.4
281.08163	15.3
283.09927	1.3
286.11780	1.6
287.09253	56.2
287.12363	2.2
299.09274	29.1
378.91730	1.2
444.16141	1.2
479.89948	1.1
490.18948	1.1
551.17194	2.4
569.18213	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44926	1.3
59.01387	14.7
71.01378	7.5
73.02943	3.8
83.01376	1.6
87.00894	1.6
89.02446	2.9
95.92425	1.5
101.02434	8.3
113.02429	7.6
134.03702	3.1
136.01654	34.0
138.05568	2.5
139.05934	1.6
149.06047	14.5
150.03198	11.6
151.04010	100.0
153.58580	1.6
165.05559	43.8
193.05046	3.5
195.06627	15.8
236.04736	2.2
284.06955	4.0
297.11765	2.6
299.09195	9.6
347.11282	3.9
383.11636	2.1
388.02896	1.8
407.13525	86.5
449.14371	3.2
509.16531	3.5
509.50549	2.0
569.18585	2.9
584.11340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87094	1.0
60.10886	1.0
70.52072	1.0
72.99303	57.6
96.08847	1.1
114.61870	1.3
123.04530	26.2
135.04523	36.1
155.02457	1.2
179.03499	48.5
189.25891	1.1
196.65926	1.3
197.04568	100.0
219.17366	1.2
267.68738	1.3
510.18204	1.2
596.08301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1883
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
58.44926	1.3
59.01387	14.7
71.01378	7.5
73.02943	3.8
83.01376	1.6
87.00894	1.6
89.02446	2.9
95.92425	1.5
101.02434	8.3
113.02429	7.6
134.03702	3.1
136.01654	34.0
138.05568	2.5
139.05934	1.6
149.06047	14.5
150.03198	11.6
151.04010	100.0
153.58580	1.6
165.05559	43.8
193.05046	3.5
195.06627	15.8
236.04736	2.2
284.06955	4.0
297.11765	2.6
299.09195	9.6
347.11282	3.9
383.11636	2.1
388.02896	1.8
407.13525	86.5
449.14371	3.2
509.16531	3.5
509.50549	2.0
569.18585	2.9
584.11340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2038
Annotation	(-)-7'-Hydroxylappaol E
Peak:m/z	Relative Intensity
54.35704	1.3
54.65221	1.5
57.94180	1.9
59.01389	22.3
59.19968	1.5
61.98824	1.8
66.09786	1.8
69.07191	1.6
71.01370	17.9
73.02921	3.5
73.48206	1.4
80.20498	1.7
85.02927	4.3
96.22718	1.7
99.00893	1.8
101.02411	11.0
109.27672	1.7
113.02417	11.8
123.04472	3.9
129.01898	9.6
134.03723	4.5
147.02980	8.2
149.02364	9.4
149.06035	7.6
150.03200	43.9
151.03973	8.4
161.04489	2.6
163.03963	2.4
164.04764	3.8
165.05566	49.5
179.07220	2.3
180.04292	3.2
181.05022	7.5
193.05028	2.8
195.06694	12.9
196.07422	2.2
223.06064	2.3
255.06616	2.7
267.06570	7.2
269.08142	10.9
284.10489	3.5
296.10748	2.4
298.08481	2.2
302.92731	2.2
311.09433	15.2
313.11090	6.9
328.09366	7.3
340.09561	22.9
341.10342	12.3
342.10745	2.7
343.11920	33.2
347.22235	7.3
355.11923	18.8
421.21042	3.0
431.14972	20.3
491.16620	7.6
509.27582	41.4
521.18121	21.1
533.17346	2.7
539.19611	2.6
551.19165	15.7
569.20221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.83176	0.5
64.98676	0.4
65.25784	0.3
66.32857	0.4
71.44096	0.4
78.95930	0.4
85.03051	0.5
90.81916	0.4
92.22590	0.6
108.44312	0.4
134.03767	0.7
150.03227	3.5
162.03239	85.3
165.05583	3.6
177.05583	100.0
195.06651	2.0
330.16959	0.5
331.62610	0.4
569.20575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61157	0.3
52.67371	0.3
58.16822	0.3
59.01374	0.8
71.01382	0.7
73.02951	0.5
82.50861	0.4
85.02951	3.0
87.00861	1.5
93.03454	1.9
94.97192	0.4
99.53589	0.4
101.02432	1.3
101.55693	0.3
109.04012	1.2
111.00882	12.6
111.04553	0.5
113.02407	0.7
127.04022	0.5
173.00938	0.9
173.04503	1.8
191.05629	100.0
203.08267	0.6
216.87601	0.4
252.02431	0.4
395.15604	4.7
456.75317	0.4
478.65509	0.4
569.17261	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77858	1.6
58.56982	1.9
59.01381	100.0
71.01379	58.2
75.04627	1.9
83.03253	1.8
85.02930	3.3
87.00851	2.1
89.02438	80.4
92.22458	1.9
95.01328	2.0
101.02451	30.2
113.02415	23.4
119.03503	28.9
120.78068	1.9
143.03551	4.8
161.04552	10.7
162.03217	18.1
177.05557	12.4
179.05603	36.0
180.04402	3.2
181.05090	4.1
196.07343	14.9
211.09735	4.6
285.37515	2.1
296.23529	2.4
303.82123	2.4
314.66141	1.9
357.11804	3.2
569.22296	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11235	1.6
57.73462	1.8
59.01382	20.9
62.47859	1.8
71.01372	18.7
71.07879	1.7
73.02949	9.6
77.63932	1.7
83.01376	7.7
85.02943	9.2
87.00867	2.1
89.02435	3.7
99.00867	3.2
101.02450	25.0
109.89254	1.9
111.00841	2.0
113.02425	11.0
137.48709	2.0
147.00888	9.6
147.94844	2.0
148.01637	3.3
149.02367	2.6
163.03975	19.7
165.01927	27.1
179.03493	15.0
180.04295	42.3
181.08748	14.5
194.05869	9.3
195.06664	50.4
210.05380	10.3
225.07722	8.9
343.13766	15.0
344.12747	17.2
359.14832	14.7
425.16681	8.6
491.15598	4.0
521.20300	89.9
535.76050	2.9
569.22534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35601	1.4
58.81530	1.3
59.01384	16.9
70.52315	1.5
71.01385	17.7
73.02940	8.5
74.10246	1.4
76.95363	1.2
79.22723	1.2
79.91921	1.2
83.01389	3.6
85.02954	10.4
89.02449	3.3
93.13872	1.8
95.01305	2.4
101.02442	16.9
107.39566	1.5
113.02461	3.4
122.03719	2.6
124.30624	1.4
133.02971	3.7
134.03764	2.9
149.02441	10.7
149.06102	1.9
150.03224	62.0
162.10402	1.4
163.06938	1.4
164.04768	10.5
165.05556	100.0
165.06966	3.3
174.79283	1.5
180.04330	7.0
195.06633	23.2
196.07404	2.4
211.09778	11.5
227.39830	1.6
293.09494	1.6
332.45889	1.6
344.12628	8.4
351.13025	1.5
351.91495	1.6
359.15106	16.9
373.14996	16.6
521.20313	71.5
569.22559	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36593	1.8
57.62077	1.9
59.01382	100.0
62.78254	2.1
71.01376	8.3
77.72096	2.0
89.02447	8.9
97.02947	2.4
101.02415	8.1
113.02405	3.2
115.03986	10.1
119.03479	3.1
119.05018	3.1
145.02980	8.8
161.13347	12.0
173.10919	2.2
187.11290	46.7
205.12346	47.8
229.12312	5.0
249.11388	8.5
265.14490	3.7
291.12183	3.3
309.13440	44.1
330.87582	2.3
356.46078	2.5
460.06842	2.1
471.13028	2.8
509.20111	2.5
569.22565	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.7
64.84998	0.5
71.01389	1.9
73.31316	0.5
74.05889	0.5
85.02962	0.8
85.05963	0.5
89.02437	3.2
96.95969	0.6
100.74873	0.6
101.02457	0.9
111.39339	0.5
113.02450	2.7
115.05538	0.6
119.03531	0.7
119.05048	0.8
121.02960	0.8
123.04512	2.5
125.09661	0.7
131.05022	3.4
133.06589	3.4
147.04539	1.1
149.06076	5.1
161.97333	0.5
163.07640	2.0
187.09827	0.9
192.04184	0.8
207.06645	100.0
231.30035	0.4
231.86487	0.6
246.60037	0.5
354.04486	0.6
361.15057	9.0
440.20554	2.9
455.53345	0.6
545.24182	0.5
569.22333	1.6
569.29907	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64287	0.8
53.68904	0.8
59.01384	100.0
61.98827	1.0
71.01385	10.3
71.01709	1.3
71.74968	0.9
89.02441	10.4
95.05023	0.9
97.02913	1.1
101.02433	6.2
101.39281	1.1
103.72802	1.1
107.30708	1.0
113.02420	4.6
115.04017	7.7
119.03489	5.1
145.02940	5.4
150.06859	1.5
159.08127	3.8
159.11716	1.6
161.13338	12.7
163.03906	1.4
169.10222	1.1
185.13255	1.1
187.11301	39.9
205.12357	48.8
223.13452	1.1
226.11627	1.0
229.12270	5.4
245.12076	1.1
249.11372	8.4
265.14426	4.5
267.12625	1.3
277.37741	0.9
309.13461	54.0
347.22299	2.4
378.71310	1.0
465.21152	2.2
471.18945	1.7
533.23920	4.0
569.22394	52.8
569.29382	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2411
Annotation	Cheiradone B
Peak:m/z	Relative Intensity
59.01382	100.0
61.36459	1.0
62.21987	1.0
63.57886	1.0
66.26869	1.1
71.01384	8.8
75.35278	1.4
76.37619	1.5
89.02450	10.0
89.28936	1.6
101.02406	3.4
109.02982	1.6
113.02465	2.9
115.18868	1.4
116.91550	1.4
117.03468	2.9
119.03492	2.6
137.02469	5.2
139.04070	1.9
145.02948	19.2
145.74686	1.6
146.03737	28.9
147.04535	7.9
149.02469	1.6
149.06134	2.6
150.03159	5.7
161.02463	6.1
161.06059	15.5
162.03218	42.2
163.04001	1.7
165.05586	6.8
177.05576	30.5
179.05643	2.8
179.07108	4.7
181.05078	5.8
195.06712	10.2
331.11703	4.9
359.15085	1.7
361.12830	3.1
371.11246	2.3
376.15268	10.2
389.16083	1.7
391.17645	18.3
405.19144	1.4
509.27609	8.0
539.22809	8.1
551.22931	16.8
559.23181	1.4
569.23419	31.2
569.31738	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79005	0.5
55.93906	0.5
58.77303	0.5
59.01386	7.9
63.03772	0.5
71.01379	2.3
76.72128	0.6
78.95891	0.9
82.34629	0.6
93.03455	32.1
96.96011	1.1
97.03874	0.5
101.02481	0.7
107.59030	0.6
112.18125	0.8
113.01665	0.9
113.02444	17.1
115.43791	0.6
115.52710	0.6
119.05003	4.7
137.02448	100.0
145.02992	5.0
147.02974	1.0
163.03996	7.2
173.06053	2.3
177.05528	0.7
189.05542	0.7
203.67566	0.6
247.06142	2.9
247.72810	0.7
295.69812	0.6
307.08307	0.6
318.62506	0.6
421.11481	1.1
440.65234	0.6
471.12997	4.6
504.47571	0.8
509.27603	0.8
569.25842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	5.9
61.69193	1.1
61.98811	1.8
63.96209	1.2
69.35403	1.1
71.01360	6.2
73.02917	2.0
78.98559	1.7
79.95724	1.8
80.96517	16.6
85.02895	2.2
90.40396	1.3
92.23066	2.0
94.98071	9.1
97.02925	3.0
99.00864	1.7
101.02385	7.6
104.41893	1.2
113.02451	1.7
119.05016	46.7
125.02391	1.3
127.04037	1.3
140.30997	1.2
145.02963	11.3
151.11221	7.9
152.98596	2.8
160.62259	1.4
163.02696	2.9
163.04012	79.7
164.98561	8.6
171.10193	7.3
183.10149	4.9
199.13713	1.4
207.10144	1.6
221.15645	1.7
225.00760	13.5
225.11263	9.1
226.80180	1.4
239.16316	1.6
243.12241	6.5
288.55905	1.4
291.19495	2.3
299.04395	1.7
309.20682	8.7
375.48413	1.6
407.24106	5.8
449.04959	1.3
471.72949	1.3
569.25854	100.0
569.33063	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2646
Annotation	Pipercyclobutanamide A
Peak:m/z	Relative Intensity
56.63280	1.4
59.01356	1.6
59.27485	1.2
61.98812	2.0
71.01360	5.4
72.64866	1.1
73.02953	2.1
78.98603	2.1
79.95731	2.2
80.96514	35.7
85.02921	1.5
87.00871	2.4
94.98080	9.9
96.95974	2.3
97.02925	1.6
101.02464	3.3
106.98116	2.1
125.02425	2.3
134.97603	2.9
148.99074	5.9
152.98607	8.6
164.98643	21.4
206.99791	2.2
225.00754	28.1
225.11287	2.9
243.12483	1.8
269.21286	5.1
299.04459	2.9
336.90503	1.4
569.26276	100.0
569.33228	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63409	0.3
59.01374	0.7
64.03021	0.3
71.01385	0.5
73.02938	0.5
74.29700	0.4
89.02436	0.5
99.92591	3.7
101.02437	0.8
109.06587	1.9
116.92853	100.0
117.01922	0.9
119.05035	0.5
153.05580	3.0
163.03996	1.5
195.06564	0.4
225.93187	0.4
229.09831	0.6
310.11215	0.4
371.16327	0.5
372.57584	0.4
569.23950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.4
60.02759	0.4
60.60747	0.4
61.98835	100.0
76.48538	0.4
82.04261	0.4
87.00945	0.4
107.34740	0.4
123.60094	0.4
130.78204	0.4
131.47256	0.4
183.61874	0.5
277.21851	2.6
371.96695	0.5
569.33734	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59394	0.7
55.23057	0.8
58.72232	0.7
78.95904	22.5
80.60899	0.9
85.03310	0.9
92.00234	0.8
92.46357	0.8
96.96944	5.3
152.99583	70.2
170.81683	0.9
171.00726	1.0
179.32466	1.0
223.00099	7.7
228.36407	0.9
241.01219	23.4
253.21747	93.3
259.02115	1.9
313.68332	1.0
314.24487	1.0
315.04898	5.9
370.20880	1.0
456.28073	1.0
525.29608	1.2
569.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2741
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
56.42071	0.8
57.68310	0.8
78.42846	0.9
78.95897	20.4
96.03930	0.8
96.96975	6.2
147.75383	1.0
152.99583	52.9
166.38748	0.9
175.28255	0.9
211.66238	0.9
223.00189	1.9
241.01227	32.9
253.21747	96.8
259.02179	1.0
271.06107	1.3
293.36090	0.9
308.84109	0.9
315.04944	8.3
315.60004	1.0
356.52280	0.9
410.37109	0.9
569.27423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09693	2.6
58.02975	3.0
60.54028	2.5
61.64871	2.2
61.98811	2.4
62.27538	2.2
64.66402	2.2
70.02967	3.7
73.85913	2.2
74.00706	4.8
74.02452	21.8
75.00864	2.9
78.95927	4.0
79.20751	2.5
87.05625	6.2
97.04034	2.5
99.05650	18.1
100.00402	28.7
103.02228	44.8
116.64454	2.4
125.03587	3.6
125.75148	2.5
126.04367	4.7
133.17862	2.7
152.99617	3.0
165.02251	19.6
191.40811	2.6
277.21652	3.9
291.19571	2.9
302.24725	4.1
316.16531	2.5
334.22153	10.9
359.27142	27.2
403.26074	100.0
453.24252	18.6
542.34106	3.0
569.28369	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72939	0.3
54.35779	0.3
59.01116	0.4
59.01385	11.1
61.98854	0.4
68.38103	0.4
71.01386	3.3
72.99290	0.7
78.95885	0.5
85.02923	1.5
89.02429	4.2
101.02441	3.2
103.05537	0.8
108.02158	1.8
109.02960	0.5
113.02461	3.2
119.03490	0.8
119.47389	0.4
121.02925	2.8
122.03671	0.5
123.04525	4.3
125.02448	0.6
131.05020	3.3
133.06560	3.7
147.04472	1.7
149.06082	5.8
161.04529	0.5
163.07628	0.9
167.03510	1.6
176.08420	1.0
187.09718	0.7
189.45929	0.4
192.04253	1.9
192.11580	0.8
207.06644	100.0
228.13696	0.5
229.81779	0.5
276.59436	0.4
361.15167	7.2
440.20599	8.7
509.27777	0.5
551.28870	0.5
569.29877	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2974
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
51.85423	0.4
57.53136	0.3
59.01383	23.1
60.99928	0.4
61.98828	0.5
66.40548	0.4
71.01376	4.1
73.02936	0.5
78.95867	0.5
80.29977	0.5
80.43853	0.4
85.02942	1.9
88.45705	0.4
89.02428	4.3
95.01402	0.6
96.96006	6.6
96.96957	0.8
101.02446	4.6
108.01607	0.5
108.02180	6.6
109.02930	2.3
113.02432	2.6
119.03504	1.6
121.02965	6.9
122.03706	0.8
123.04514	15.3
137.02466	0.6
167.03503	5.2
176.08427	51.4
186.40112	0.5
189.09219	0.8
192.11612	0.9
201.09489	0.4
215.82726	0.4
218.09520	4.5
234.21304	0.4
236.10640	0.6
259.17020	2.0
278.15186	0.5
311.19894	0.5
347.22275	1.6
440.20630	2.0
456.23682	3.2
503.44357	0.6
509.27112	0.8
551.28693	2.2
569.29724	100.0
578.77576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2978
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
57.00054	0.9
59.01384	100.0
69.36567	1.1
71.01378	8.7
74.89307	0.8
82.88177	1.0
85.02934	1.6
89.02442	15.0
90.30878	1.2
96.96003	13.2
101.02433	6.0
113.02445	7.3
114.96576	0.9
119.03465	6.1
137.09636	1.0
143.03481	1.3
155.03438	0.9
179.05672	8.5
181.08641	1.1
199.09756	8.1
204.00871	0.9
212.37686	0.9
222.80862	1.0
223.05856	1.0
269.18756	0.9
312.52939	0.9
356.21857	1.1
477.75098	1.1
509.26852	1.5
569.22052	1.9
569.29968	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32135	0.6
59.01381	100.0
62.84357	0.6
66.33116	0.6
70.33119	0.6
71.01379	7.5
85.02938	1.1
89.02430	11.7
97.20966	0.8
101.02454	6.2
113.02450	3.2
119.03474	5.1
137.02441	1.7
143.03426	1.3
145.02988	1.4
145.86301	0.8
146.03711	3.4
161.04517	1.6
161.06067	1.4
162.03215	1.3
177.05556	1.1
179.05659	5.5
179.07066	0.9
221.46196	0.8
222.02512	0.8
246.35120	0.8
329.21237	2.7
371.72208	0.8
391.17813	1.1
489.72900	0.8
509.27621	12.3
517.32172	0.8
551.21814	0.8
569.22125	1.2
569.31036	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06945	0.5
56.96899	0.5
57.03461	0.5
57.43444	0.6
58.52772	0.5
59.01383	100.0
59.62529	0.5
62.45052	0.4
71.01372	9.0
73.79191	0.5
75.62417	0.5
85.02924	2.1
89.02434	14.1
91.05524	2.3
101.02446	7.3
101.35135	0.6
113.02425	4.3
119.03493	5.0
135.04514	2.3
161.04520	2.7
166.06360	0.6
167.09195	0.6
179.05609	5.1
181.08798	0.6
191.05400	0.7
509.27631	24.6
521.18188	0.8
539.22949	0.8
569.21942	1.9
569.30115	10.1
595.57037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50660	2.5
59.01101	5.6
59.01382	100.0
61.98802	2.8
71.01377	6.7
73.02926	4.8
85.02923	3.1
89.02442	4.1
90.40849	2.5
96.95998	4.6
101.02432	12.0
112.46097	2.7
113.02431	12.2
119.03533	3.4
147.79855	2.9
171.10217	6.0
171.34880	3.1
185.39441	3.0
211.13399	3.4
329.79892	3.4
372.57626	3.3
465.28815	23.1
469.61063	3.5
483.29709	11.1
525.31073	32.2
569.30737	22.1
575.28473	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2975
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
53.77154	0.7
59.01387	19.0
59.48787	0.6
59.98513	0.8
71.01389	2.7
80.74811	0.9
89.02422	3.5
96.96000	0.8
101.02424	4.4
108.02153	4.2
119.03502	1.3
121.02934	4.2
123.04530	9.4
125.09698	1.2
147.05762	0.8
163.85002	0.8
167.03503	4.9
169.08771	0.8
176.06917	1.4
176.08418	34.6
185.52162	0.9
218.09523	1.9
232.27107	1.0
236.10553	11.0
237.76190	0.9
259.17209	0.9
332.15918	0.9
347.21954	1.1
440.20291	1.8
441.21445	1.5
456.23880	1.9
569.29797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83371	0.5
59.01375	1.5
71.01374	4.5
71.27898	0.6
73.02966	1.0
76.41425	0.6
78.98579	3.7
79.95739	3.9
80.96511	38.3
85.02925	1.1
86.01297	0.6
87.00847	1.4
88.14433	0.7
94.98083	12.2
96.95982	0.7
97.02965	2.6
101.02441	1.6
106.98076	0.8
108.31023	0.9
110.62914	0.6
113.02444	0.7
122.97520	1.0
125.02426	4.3
134.97562	3.8
136.99139	1.2
148.99144	6.9
152.98578	7.0
152.99681	1.4
164.97377	1.0
164.98619	14.2
206.99669	3.9
225.00780	26.3
245.08170	1.2
269.08310	4.9
269.24838	3.1
287.09283	2.7
299.04355	3.6
299.09238	2.6
309.34698	0.6
477.63181	0.7
569.30029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
59.27370	0.5
61.98824	0.7
71.01369	3.4
77.19431	0.5
78.98576	3.5
79.95726	2.6
80.96512	34.6
85.02941	1.3
87.00862	1.2
91.74932	0.5
94.98074	10.8
96.95967	0.8
97.02930	0.9
97.32777	0.5
99.00791	0.5
101.02438	2.3
106.98066	1.4
122.97581	2.2
125.02413	3.0
127.03988	0.6
134.97577	3.7
136.99168	1.3
148.99101	5.8
152.98631	6.2
152.99680	0.9
153.40041	0.6
164.98625	13.9
194.53020	0.5
206.42795	0.6
206.99734	4.9
225.00751	25.1
269.08212	2.4
269.24857	3.4
287.09351	0.8
296.25815	0.7
299.04352	5.5
299.09308	1.2
368.67688	0.7
497.60159	0.7
569.30054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.301
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
52.84305	0.4
53.21525	0.5
59.01346	0.5
61.98830	1.0
64.79939	0.5
69.66438	0.5
71.01379	3.6
78.98589	4.2
79.95731	2.5
80.96514	35.7
80.96998	1.2
81.03452	0.7
85.02934	1.3
87.00863	1.3
94.98074	12.2
97.02947	0.9
101.02445	1.4
106.98080	2.1
117.68231	0.5
122.97557	2.2
125.02441	4.1
127.03970	0.6
134.97612	3.8
136.99152	1.0
148.99101	5.8
152.98615	7.4
162.96889	0.5
164.98637	16.7
206.99736	3.4
225.00757	25.6
229.52824	0.6
269.24805	4.0
293.62253	0.7
299.04486	4.7
308.49390	0.6
442.70605	0.7
569.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38844	0.9
57.03445	1.1
59.01382	100.0
69.11194	1.4
71.01379	14.4
73.02945	2.6
83.01341	1.6
85.02944	5.5
85.90278	1.0
87.00857	1.6
101.02435	13.3
113.02443	7.1
123.85684	1.2
125.09711	2.0
161.04523	9.5
216.74741	1.3
264.35742	1.3
347.25830	8.9
419.28125	5.4
472.28418	1.3
509.31277	37.1
525.82782	1.3
569.32739	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
67.64941	2.3
87.02183	2.1
91.83515	2.2
119.90704	2.3
137.41034	2.5
183.13907	10.2
195.13954	4.8
223.13428	11.5
235.16960	3.3
275.20132	23.8
277.21777	9.6
291.19714	4.1
293.21265	100.0
309.21353	2.9
380.39493	2.7
569.42163	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35805	1.8
50.91167	1.5
51.05036	1.5
52.30810	1.5
55.56555	1.8
57.67938	1.8
58.56289	2.1
63.74253	1.7
71.01390	1.8
71.49017	1.6
75.62180	1.5
85.31763	1.8
86.09241	1.8
88.98829	1.7
92.19523	1.5
93.03434	9.1
96.79648	1.8
98.13181	1.7
102.63221	1.8
110.65827	1.9
111.04478	2.1
113.02409	2.7
118.45234	1.8
119.35220	1.9
130.08716	9.3
131.68488	1.8
135.04527	31.2
141.57527	1.9
155.03540	4.2
172.09813	12.2
173.04543	95.4
179.03494	70.7
191.05621	71.4
228.69765	2.0
333.97339	2.2
353.08810	100.0
405.33197	1.9
467.36688	2.1
593.74023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86300	0.7
55.10076	0.5
77.76202	0.6
85.02951	0.9
87.00864	1.5
87.15344	0.6
111.00880	19.6
112.01209	5.4
113.02419	0.7
116.92878	1.4
120.33242	0.7
161.02402	0.8
173.00975	1.1
183.69211	0.6
191.05630	100.0
320.25836	0.8
353.08838	24.1
570.17554	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43774	1.0
55.90723	1.0
59.01381	2.1
61.98828	7.4
74.12070	1.3
93.03450	10.1
129.81175	1.2
135.04524	39.5
135.05507	1.9
137.02472	4.7
138.79291	1.4
155.03505	4.9
161.02412	1.9
173.04550	100.0
179.03513	75.6
179.95557	1.3
191.05640	56.1
213.90364	1.3
215.11423	1.2
216.05081	1.5
265.65405	1.3
265.69540	1.3
321.69650	1.3
353.08838	99.3
355.09268	1.5
395.36951	1.4
527.81311	1.3
548.73480	1.4
570.24109	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31393	1.0
62.32249	1.1
62.59189	1.2
70.24736	1.0
85.02945	1.6
90.22057	1.2
93.03426	9.2
111.04520	2.2
134.95245	1.2
135.04517	31.4
137.02428	2.4
138.70682	1.2
155.03551	2.3
156.02972	1.4
173.04552	85.0
179.03502	54.9
179.04729	1.3
191.05626	65.7
351.68738	1.6
353.08844	100.0
531.81305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.89274	0.4
73.82015	0.3
84.60277	0.3
85.02948	1.0
87.00870	0.3
92.23090	0.4
93.03447	0.3
101.02416	0.5
101.43091	0.2
111.00882	1.3
116.92869	1.1
117.92868	0.6
127.04015	0.5
135.04552	0.3
161.02460	1.4
162.56694	0.2
173.04588	0.6
179.03502	0.6
191.05637	100.0
197.33589	0.2
278.78888	0.3
331.91910	0.3
353.08844	26.6
389.94287	0.3
393.00763	0.3
570.17255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35805	1.8
50.91167	1.5
51.05036	1.5
52.30810	1.5
55.56555	1.8
57.67938	1.8
58.56289	2.1
63.74253	1.7
71.01390	1.8
71.49017	1.6
75.62180	1.5
85.31763	1.8
86.09241	1.8
88.98829	1.7
92.19523	1.5
93.03434	9.1
96.79648	1.8
98.13181	1.7
102.63221	1.8
110.65827	1.9
111.04478	2.1
113.02409	2.7
118.45234	1.8
119.35220	1.9
130.08716	9.3
131.68488	1.8
135.04527	31.2
141.57527	1.9
155.03540	4.2
172.09813	12.2
173.04543	95.4
179.03494	70.7
191.05621	71.4
228.69765	2.0
333.97339	2.2
353.08810	100.0
405.33197	1.9
467.36688	2.1
593.74023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73013	0.2
56.36627	0.2
59.01375	0.3
82.03816	0.3
83.84401	0.2
85.02951	1.4
87.29189	0.3
89.02416	0.3
91.55965	0.2
91.98842	0.3
93.03429	0.6
111.04541	0.4
116.07169	4.8
116.92902	0.3
154.08824	0.3
161.02451	1.6
165.71320	0.3
175.06117	0.3
179.03519	1.2
185.91214	0.3
191.05626	100.0
192.05966	0.4
198.07750	0.7
216.08783	1.6
318.48541	0.3
345.55646	0.4
353.08817	24.3
408.14246	0.4
541.82892	0.3
570.22375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12272	0.4
59.01375	0.7
73.02954	0.6
80.98510	0.6
101.02447	6.9
110.09703	0.8
130.08731	100.0
131.66696	0.7
159.19460	0.5
172.09792	2.3
173.04565	1.1
177.39352	0.7
196.60448	0.6
202.10866	15.0
241.90955	0.6
244.11978	1.2
292.06796	0.9
292.14099	15.1
374.86478	0.6
387.75626	0.7
408.69739	0.6
408.75772	0.6
491.01703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97749	0.9
58.93717	0.8
61.98832	100.0
83.01388	4.5
93.50690	0.8
106.56934	0.8
117.94471	1.0
185.69368	0.8
277.21762	10.7
492.50809	1.1
507.29916	3.5
597.02063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29006	3.0
54.96481	2.9
66.03489	96.3
68.46436	4.1
94.02981	70.9
100.16025	4.1
104.61024	4.0
127.53589	3.8
136.95815	3.8
168.08226	5.0
180.08228	48.1
198.09299	25.2
201.04388	3.9
211.13316	6.0
229.14455	4.2
232.21504	4.3
242.08240	100.0
327.21860	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02937	12.1
69.22623	12.7
81.41051	11.8
105.65899	12.7
226.24904	14.8
281.24808	100.0
308.34781	13.0
315.30374	12.6
360.42282	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61797	0.5
52.57227	0.5
59.01390	0.5
60.04998	0.5
61.98835	2.4
65.51218	0.5
70.15027	0.5
77.13395	0.5
96.79065	0.5
97.06616	0.6
103.90798	0.6
116.17718	0.7
125.09708	25.6
142.12462	0.7
153.12852	2.4
169.08653	0.8
170.11871	2.6
186.11354	100.0
197.11830	3.8
200.12970	1.4
212.16545	1.3
214.14511	29.4
215.12874	1.1
357.24026	6.1
385.27481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98826	0.7
63.25756	0.4
89.16123	0.4
99.49067	0.4
124.75173	0.4
136.33386	0.3
136.54874	0.4
142.12369	1.7
142.86674	0.4
144.76637	0.5
158.39777	0.4
166.78284	0.4
167.14427	6.5
169.36739	0.4
170.11873	8.7
184.16959	0.6
210.15039	2.1
211.13412	16.4
228.16055	100.0
229.14441	8.6
240.03534	0.5
259.22055	0.4
269.49103	0.5
381.27795	0.7
399.28693	6.4
526.31177	0.6
548.05103	0.4
570.41357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15374	1.0
53.47384	1.0
54.01991	1.1
54.36777	1.1
65.27085	1.1
75.92596	1.4
87.10420	1.2
101.79797	1.1
111.08120	1.6
125.09727	27.6
153.12863	14.1
170.11880	9.8
186.11360	90.5
197.11812	17.8
208.63164	1.4
214.14494	100.0
215.12843	9.5
228.16029	2.1
305.22391	2.3
323.23416	10.9
325.21362	5.5
351.26337	1.9
357.23990	1.7
570.41370	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35129	0.8
61.74062	0.8
68.15254	0.9
73.69147	0.8
74.52565	1.0
78.95907	22.7
80.42294	0.8
83.01722	0.9
83.05829	1.0
84.77285	1.1
86.87125	0.8
89.28860	0.9
92.22551	1.2
96.96961	100.0
98.73857	0.8
114.01987	1.0
136.78334	0.8
158.92542	2.0
168.84047	1.0
176.93599	19.3
194.94655	25.4
229.01202	1.8
416.70029	1.0
474.67664	1.0
568.90198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77139	1.0
59.01370	1.6
59.88939	1.0
65.99334	1.0
71.01373	2.2
72.99297	9.0
83.04591	1.1
83.05005	8.6
86.17426	1.1
90.41444	1.4
93.42011	1.2
101.02446	1.7
105.04667	1.1
111.04506	17.0
115.03996	6.2
116.92786	1.1
121.02942	1.2
127.04008	55.3
129.05585	4.9
137.02449	2.6
155.03516	62.0
171.03015	2.0
173.04489	1.4
177.05588	1.8
189.04189	1.3
191.03606	1.9
191.05643	4.5
199.02499	47.1
209.04559	2.1
217.03555	100.0
221.04620	2.1
243.89960	1.2
437.76074	1.2
523.20862	2.7
571.23608	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	15.1
83.05010	14.3
89.02454	1.7
92.23096	1.4
101.02496	1.3
105.51267	1.2
111.04509	14.7
115.03990	14.7
127.04005	53.5
129.05539	7.2
137.02419	2.5
145.03030	1.9
155.03500	61.1
155.97743	1.1
163.04034	1.6
171.02992	5.5
187.87642	1.2
189.03923	1.8
191.05618	22.2
197.20634	1.1
199.02487	44.2
217.03534	100.0
268.70270	1.1
274.90500	1.3
336.20184	1.2
353.08838	1.7
571.20428	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22143	1.5
72.39041	1.3
72.99302	9.0
73.54528	1.1
77.12885	1.1
83.05022	9.0
111.04511	15.5
115.03996	6.9
127.03060	2.1
127.04002	60.8
129.05557	5.9
135.04474	2.2
137.02420	2.0
155.03499	69.5
171.03020	2.2
173.04538	8.6
179.03459	3.0
191.05597	2.6
199.02499	47.0
217.03542	100.0
265.39069	1.4
267.10168	1.4
309.20126	1.7
353.08832	6.8
354.09286	1.5
549.77167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76676	1.6
56.47844	1.5
71.01415	1.9
72.99298	11.4
83.05025	4.6
85.02962	2.5
111.04495	8.2
115.04020	8.6
127.04008	30.0
129.05576	2.3
135.04523	35.4
142.45280	1.9
155.03508	37.8
161.02443	2.7
162.65538	2.1
173.04500	9.1
179.01949	2.5
179.03503	63.7
191.01933	2.0
191.05635	100.0
199.02505	21.1
217.03568	39.0
272.92896	2.0
297.17505	2.2
299.12579	2.3
303.38736	1.9
303.57278	2.0
353.04483	3.5
353.08838	94.8
467.24554	2.2
520.67957	2.2
552.37451	2.1
571.19720	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44001	1.8
69.47173	2.2
72.99294	5.5
73.45505	2.3
83.05026	3.3
90.87917	2.3
94.57023	2.3
95.04247	2.2
109.02935	3.7
111.04506	19.5
115.04031	2.7
127.03991	51.8
129.05577	4.4
131.67172	2.4
149.06058	4.4
155.03505	73.0
177.05598	31.6
189.05580	52.9
191.05621	53.0
199.02480	45.0
207.06670	5.2
207.10475	2.7
217.03546	100.0
221.04530	5.4
249.07719	3.6
311.07751	18.8
473.13086	16.5
571.17096	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79285	0.7
59.01379	3.5
59.53658	0.9
72.98941	0.8
72.99295	7.8
81.03459	1.0
83.05029	9.2
89.02476	1.1
96.87399	0.8
104.54419	0.8
111.04518	15.9
115.03998	6.3
127.04006	60.0
129.05576	5.4
137.02440	1.5
155.03502	64.6
159.11987	1.2
171.03081	3.2
199.02484	48.0
217.03540	100.0
345.91751	1.0
351.62558	0.9
409.15494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92987	1.6
53.38814	1.7
54.06007	1.7
56.30053	1.8
56.82069	2.3
59.01379	3.7
61.71865	2.3
67.16549	2.1
68.42602	1.9
71.01376	2.4
72.99310	10.4
75.07762	2.1
83.05018	4.9
85.69259	2.1
88.98814	3.0
89.02434	3.5
101.02478	3.0
111.04530	7.8
115.03999	5.2
116.92863	16.7
127.04002	25.6
130.21846	2.0
133.02962	2.4
135.04552	33.3
137.09149	2.2
149.06142	2.6
155.03500	31.7
162.82867	2.1
173.04550	4.3
173.08157	3.7
177.05602	27.2
179.03499	54.8
191.05621	100.0
193.05022	4.4
199.02603	18.4
217.03540	28.7
221.04637	3.1
228.10315	2.4
282.90921	2.5
311.07755	9.6
353.08859	85.4
377.66782	2.2
389.63583	2.3
442.47296	2.3
571.23175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52140	0.9
51.22030	0.9
53.10772	0.9
72.99308	4.7
74.40684	0.9
76.66627	1.0
83.05025	7.5
95.25713	1.1
111.04519	16.6
115.04050	4.5
127.04009	51.8
129.05566	5.2
131.68250	1.2
137.02409	4.2
143.19716	1.1
155.03511	72.8
171.02974	1.6
199.02504	46.4
217.03560	100.0
235.14510	1.1
279.56409	1.3
320.04437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31895	1.0
51.74880	1.3
54.47164	1.1
59.01389	1.8
72.99299	8.1
83.05004	10.5
89.72112	1.2
111.04520	18.9
115.04003	3.3
127.04004	56.4
127.04884	2.7
129.05600	6.4
131.00571	1.3
131.07411	1.9
134.03795	1.9
155.03499	67.7
191.05629	70.8
192.05951	24.8
193.05074	2.2
199.02487	53.7
216.05016	1.5
217.03537	100.0
353.08829	6.3
354.09250	13.6
571.21307	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31895	1.0
51.74880	1.3
54.47164	1.1
59.01389	1.8
72.99299	8.1
83.05004	10.5
89.72112	1.2
111.04520	18.9
115.04003	3.3
127.04004	56.4
127.04884	2.7
129.05600	6.4
131.00571	1.3
131.07411	1.9
134.03795	1.9
155.03499	67.7
191.05629	70.8
192.05951	24.8
193.05074	2.2
199.02487	53.7
216.05016	1.5
217.03537	100.0
353.08829	6.3
354.09250	13.6
571.21307	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23900	0.8
58.79218	1.0
72.99303	9.6
80.06853	1.0
83.05036	7.3
85.31599	1.1
102.45561	1.1
111.04522	18.5
115.03968	4.8
127.04007	60.4
129.05571	2.8
134.60481	1.4
137.02443	4.7
140.77048	1.2
154.43153	1.2
155.03505	71.2
171.03012	1.7
179.03477	4.3
191.05652	6.0
199.02502	52.5
217.03545	100.0
353.08932	8.1
586.09607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04565	1.7
54.42700	1.6
59.01379	3.0
71.01377	2.8
72.99305	4.3
83.05014	7.7
85.02936	3.5
89.02446	4.1
94.95774	2.0
95.54671	1.9
101.02445	2.5
102.17052	2.1
108.30737	1.9
111.00873	38.8
111.04510	9.3
112.01211	8.6
113.01295	3.9
113.02443	4.3
115.04001	3.5
127.03994	22.3
135.04527	31.8
155.03500	24.6
161.02504	2.0
173.00874	3.1
173.04579	4.9
179.03523	75.7
191.05629	100.0
199.02521	15.9
217.03546	35.3
287.49942	2.3
299.12372	2.0
334.21094	2.2
353.08853	76.6
558.86932	2.3
571.18152	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01819	0.5
54.06927	0.6
54.19429	0.5
55.79462	0.6
57.04778	0.5
59.01374	6.1
60.65599	0.7
65.00005	0.7
67.28619	0.7
71.01353	0.8
72.32614	0.6
81.03452	6.2
81.23177	0.7
83.05025	5.7
84.03511	0.8
89.01392	0.7
89.02483	0.8
93.03467	4.2
109.02952	2.8
111.04510	52.0
113.02463	0.8
127.04005	100.0
134.03741	9.2
137.02428	7.2
145.02953	1.5
155.03499	60.6
160.01688	1.1
161.04607	1.0
175.03990	3.8
178.02600	0.6
193.05066	13.6
199.02487	56.0
209.04729	0.9
225.04300	0.7
343.44946	0.7
365.92932	0.7
571.19995	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41862	6.3
58.30458	7.1
67.49606	7.6
114.08976	8.4
156.01839	8.6
174.90468	7.7
275.70251	8.3
281.60834	8.2
285.07663	100.0
289.88120	8.9
316.98816	8.7
333.88831	7.6
352.11218	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90451	1.4
56.73980	1.2
59.01374	3.0
72.99307	37.6
81.78161	1.4
105.83427	1.9
123.04511	100.0
123.39935	1.5
130.77963	1.7
135.04514	20.5
150.03159	2.0
165.05568	10.6
179.03510	40.6
191.05684	2.4
195.06694	2.9
197.04572	61.5
211.06111	86.8
228.64772	1.6
349.12781	11.6
373.11362	68.7
384.31906	1.6
510.99750	1.9
565.78937	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1837
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
50.20409	0.4
58.14585	0.5
59.01380	3.6
71.01382	1.2
73.02966	0.5
78.95886	1.0
82.56944	0.4
85.02975	0.8
85.99843	0.4
87.00855	0.6
89.02460	1.1
101.02470	1.9
113.02431	6.0
115.04000	0.7
117.03446	6.9
119.05022	27.1
121.02930	0.8
130.40440	0.5
145.02959	100.0
147.63463	0.5
161.06075	0.6
163.02635	1.1
163.04018	34.9
191.05556	0.7
205.05096	0.7
271.09659	0.9
321.74933	0.5
355.11780	0.7
389.80722	0.5
390.33667	0.6
407.13416	3.1
425.14716	4.9
431.31491	0.7
571.18231	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28426	1.0
61.98819	1.3
70.88306	1.0
71.08557	1.0
78.95900	1.6
95.01376	1.9
111.04525	1.3
113.02457	2.3
116.61954	1.2
125.02448	6.6
133.80473	1.1
139.03998	4.9
142.38031	1.1
145.25037	1.1
151.04071	1.7
152.99583	1.7
165.01938	2.5
166.02759	1.1
173.06129	8.5
185.09795	1.4
201.09337	1.8
227.10736	14.7
241.08798	1.7
243.10313	1.6
245.08241	15.5
253.08646	4.5
255.23256	1.9
257.08218	17.2
269.08200	14.5
271.09787	100.0
283.09769	14.2
287.09268	62.6
299.09305	23.6
340.65475	1.6
377.13895	1.9
379.11981	1.5
517.77075	1.5
553.18927	2.6
571.19897	73.3
571.28394	3.9
574.60345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1981
Annotation	5'-Methoxyvestitol-(4->5')-vestitol
Peak:m/z	Relative Intensity
53.14048	1.0
57.77427	1.0
58.69917	1.1
59.01380	1.9
61.98820	2.7
85.02969	1.4
97.02958	1.2
102.66846	1.0
113.02425	5.1
125.02421	5.6
139.03984	5.1
152.99567	2.4
165.01888	2.8
173.06055	7.6
203.04214	1.2
225.09254	1.8
227.07217	2.7
227.10802	17.2
241.08784	1.5
243.10138	2.6
245.08183	17.6
253.08652	4.9
255.10287	1.3
255.23369	1.6
256.07199	1.3
257.08231	14.0
269.08142	12.5
271.09769	100.0
283.09738	15.9
287.09274	62.7
299.09280	28.9
553.18182	1.6
571.10748	2.7
571.19775	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96597	0.4
59.01379	2.0
60.98144	0.4
71.01371	0.9
89.02435	1.1
92.22499	0.6
95.43465	0.4
101.02442	2.1
117.03450	2.7
119.03541	0.4
119.05010	5.1
145.02954	100.0
151.03984	0.7
163.04007	13.3
163.05177	1.1
165.05640	0.5
205.05037	0.7
288.04111	0.5
294.26825	0.5
409.15091	62.5
527.15643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
59.38674	0.4
71.01380	4.4
72.99289	0.4
73.02950	1.1
76.76511	0.5
78.31781	0.5
81.03442	1.9
83.05018	0.5
83.55413	0.5
85.02929	2.2
87.00851	1.0
87.24577	0.6
89.02427	2.9
89.03919	0.5
93.03417	0.8
95.55976	0.6
99.00844	1.2
101.02458	4.0
111.04507	13.4
113.02447	4.0
117.03452	5.0
127.04007	20.2
128.39725	0.5
134.03740	81.4
137.02426	2.4
149.06084	13.1
150.03223	4.4
155.03494	11.3
158.82611	0.6
160.01622	6.2
161.04575	2.4
165.05583	2.4
173.04631	0.5
173.08035	0.7
175.03999	13.3
176.01097	0.6
178.02727	4.7
179.05644	0.7
191.03575	1.0
193.05070	100.0
199.00790	0.9
199.02499	15.4
209.04546	3.6
263.11282	0.7
302.03815	0.5
377.14432	3.4
467.28372	0.6
571.20367	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03662	0.8
59.01382	14.6
71.01386	11.3
73.02929	2.8
77.80028	1.1
83.05008	2.1
85.02935	1.5
86.86364	1.2
89.02432	11.0
99.00873	2.9
101.02452	11.0
108.88147	1.0
111.04509	19.9
113.02432	7.5
113.08824	1.0
117.03503	1.1
119.03488	2.0
122.03415	1.1
127.04008	39.1
134.03754	23.0
137.02435	1.4
145.02902	2.2
149.06076	4.7
151.04013	1.2
155.03494	26.9
158.02534	1.2
160.01646	37.8
161.02451	2.4
161.04535	6.2
165.05594	1.5
165.78508	1.2
167.36392	1.3
175.04013	89.5
191.05629	1.3
193.05069	25.8
199.02493	26.9
238.25223	1.1
264.40933	1.4
332.47989	1.2
404.63605	1.3
439.15961	2.0
571.20416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22505	0.6
58.83562	0.6
59.01375	3.9
63.27011	0.7
71.01376	3.6
72.70443	0.8
73.02942	1.0
79.70223	0.6
87.00867	1.3
89.02439	5.3
101.02443	5.2
102.62822	0.8
113.02437	3.5
117.03442	3.5
134.03743	86.5
149.06093	14.3
160.00409	0.9
160.01608	6.9
161.04524	1.2
164.04823	1.8
175.03989	11.3
178.02661	1.5
179.07184	1.3
193.05069	100.0
209.08237	1.5
224.47746	0.7
263.11426	1.3
349.20218	3.8
377.14423	1.3
390.02609	0.9
395.15811	0.9
530.23566	1.0
571.20239	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52385	0.2
59.01379	0.5
71.01371	1.1
73.02951	0.5
92.22517	0.3
93.05551	0.2
93.67442	0.3
96.76559	0.2
98.76170	0.3
101.02450	1.3
104.54245	0.3
106.53072	0.3
113.02450	1.2
117.03448	3.8
119.05025	5.0
121.16319	0.3
145.02951	100.0
161.04613	0.4
163.04007	13.6
401.29224	0.3
409.15085	71.0
491.57437	0.3
571.21161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18400	3.4
79.09811	4.7
82.00072	4.6
84.29296	4.5
90.07497	4.1
122.03725	6.1
146.03735	58.0
149.02440	30.9
150.03249	66.3
161.06070	27.1
164.04770	64.3
165.05583	81.0
175.04074	6.0
179.07149	100.0
180.04222	5.7
195.06641	37.0
269.08237	4.8
312.09998	6.4
313.11035	5.0
327.12332	24.8
343.12057	49.1
375.14401	6.9
391.14035	41.9
523.19653	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19179	1.6
52.41832	1.7
58.50853	1.8
59.01390	20.5
71.01379	9.3
72.99303	64.9
74.96201	1.6
85.02973	2.9
87.00874	15.9
89.02442	12.1
96.59511	1.7
96.95979	1.9
99.00854	2.5
101.02421	8.7
113.02477	3.1
114.63862	2.0
119.03469	3.5
123.04506	22.8
134.03699	4.2
135.04536	24.5
137.68835	2.1
146.52193	2.0
159.77904	1.9
179.03505	66.7
179.05745	3.2
187.11189	3.5
193.05096	10.0
197.04568	100.0
203.14465	10.1
206.98463	2.2
252.48734	2.1
263.07666	3.8
271.13464	3.0
341.08893	4.1
349.20126	2.5
401.10983	2.4
571.24109	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41837	1.2
59.01381	100.0
71.01375	32.8
72.97526	2.2
72.99310	13.3
73.02951	9.6
78.95932	3.0
85.02948	3.6
89.02439	66.1
97.02943	2.2
101.02431	26.4
113.02453	20.9
115.03988	23.9
119.03497	32.2
131.03513	1.9
135.04515	3.8
143.03525	7.2
160.02223	1.7
161.04524	9.1
176.01242	2.1
179.03484	18.4
179.05629	71.8
191.03496	2.0
197.04543	19.0
205.02101	1.9
310.79178	1.7
349.20206	30.5
383.64117	1.9
409.07224	1.9
511.25153	2.2
571.24957	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03985	0.8
54.34374	0.5
59.01384	40.1
71.01376	5.2
72.99299	1.0
89.02414	5.4
96.96021	0.8
101.02452	1.6
109.40661	0.7
113.02460	1.8
115.04002	0.8
118.98152	0.8
119.03482	1.5
119.75742	0.7
128.50757	0.7
171.11809	10.3
177.12848	4.3
179.05638	2.8
185.13544	0.7
187.11304	3.5
189.12863	59.9
197.04648	1.2
213.12717	0.8
215.10873	6.3
221.11824	3.5
233.11836	74.2
237.54631	0.8
251.12938	3.3
395.17126	100.0
413.18091	3.9
571.24567	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57065	0.3
53.85895	0.2
65.14013	0.3
69.03457	0.3
70.96984	0.3
85.02943	0.7
113.02442	100.0
242.99115	0.4
456.17886	0.4
571.26776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96251	1.4
59.01380	49.0
60.00026	1.3
64.09167	1.8
70.38999	1.6
71.01366	26.2
75.00856	7.4
78.95911	7.8
83.05007	2.3
84.10155	1.4
85.02949	2.1
85.20564	1.4
87.00879	1.8
89.02435	48.1
96.96893	1.6
101.02430	19.1
104.76377	1.5
113.02445	10.2
119.03474	15.0
132.80042	2.1
142.46840	1.8
143.03516	1.7
150.03210	2.6
161.04608	4.2
165.05553	3.7
179.05592	40.0
186.69344	1.7
193.21837	2.0
303.19656	13.0
308.62088	1.7
331.19196	17.7
349.20218	100.0
391.21338	2.9
427.96915	2.0
571.25623	2.4
576.09314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46246	1.0
59.01380	11.8
60.53493	1.0
61.98822	1.2
63.30473	1.0
64.30997	1.1
69.27541	1.1
71.01386	8.6
73.07183	1.2
81.94970	1.2
85.02953	2.1
89.02449	7.7
93.66171	1.4
96.96069	1.3
97.02940	2.8
101.02460	4.8
103.65406	1.1
109.85314	1.1
111.08160	2.1
113.02454	1.7
119.03509	1.5
125.09712	2.5
161.30458	1.3
165.12889	11.3
171.10265	2.6
183.13908	75.3
185.11830	1.4
197.15631	1.3
197.41951	1.2
201.11348	1.8
202.86485	1.4
209.11884	2.1
211.13417	2.7
227.12904	6.8
249.18617	7.5
267.19656	100.0
275.16602	3.1
291.19745	2.2
293.17624	49.0
293.20868	1.9
295.19083	2.1
307.19089	1.3
311.18698	27.9
327.21759	1.6
340.83240	1.2
393.47284	1.3
409.22284	23.2
409.26666	1.5
451.23706	8.7
481.24475	2.9
511.25537	18.6
571.26935	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2767
Annotation	Forskoditerpenoside A
Peak:m/z	Relative Intensity
55.32130	0.5
59.01376	2.6
60.65602	0.6
61.98821	1.1
69.48602	0.6
71.01383	1.3
75.66545	0.6
80.96519	3.0
85.02976	0.7
89.02425	0.6
89.24789	0.7
101.02417	0.9
113.02408	0.9
125.09722	0.8
137.76917	0.8
143.11552	0.6
164.98692	1.0
183.13918	2.7
223.20583	1.0
225.00725	2.5
249.18584	9.6
267.19681	100.0
275.16550	4.2
279.19681	0.8
286.99142	0.7
291.19788	1.0
293.17642	54.1
295.19177	2.5
309.20786	1.0
311.18710	29.0
311.22113	1.0
409.22333	28.5
451.23499	8.5
481.24512	3.8
511.25516	15.1
571.27460	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96397	0.8
70.49612	0.7
78.95896	21.8
81.46312	0.7
92.86443	0.8
96.96958	5.8
129.19537	0.7
130.50322	0.6
138.38243	0.6
143.02657	0.7
152.99583	44.0
223.00209	0.8
240.73778	0.9
241.01202	26.2
255.23309	78.4
315.04950	5.8
328.59933	0.8
383.29730	0.8
571.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64505	0.5
66.23708	0.6
78.95898	23.7
96.96947	7.8
132.85634	0.8
152.99583	54.0
182.72226	0.7
184.93791	0.7
223.00201	0.7
241.01207	39.6
255.23315	95.9
267.65210	1.0
315.04840	7.9
391.22757	1.1
552.58130	0.9
571.28967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15718	0.5
63.05334	0.6
78.95899	19.2
84.91547	0.6
92.14751	0.7
95.41851	0.6
95.89211	0.7
96.96938	5.3
152.99582	43.4
160.41217	0.8
176.37553	0.8
181.59517	0.8
196.16016	0.7
223.00168	1.2
241.01196	29.6
255.23315	79.4
315.04855	4.2
342.49762	0.8
571.28973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2895
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.66072	0.8
63.51730	1.0
64.70949	0.8
67.20029	0.8
78.95891	18.3
81.68913	1.0
96.96955	5.9
126.19244	0.8
126.48517	1.0
152.99580	71.8
171.00629	1.2
223.00108	8.9
241.01163	22.3
245.13397	1.0
255.23302	100.0
259.02237	1.0
315.04987	5.4
325.32904	1.1
571.28973	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3137
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
52.62750	0.9
59.01383	100.0
69.32713	1.0
71.01373	12.7
71.85857	0.9
85.02958	1.2
89.02434	14.0
101.02438	6.2
111.04479	1.5
113.02441	5.2
119.03466	4.4
127.04010	4.3
134.03751	18.8
145.02956	4.9
149.06068	1.7
155.03563	3.8
160.01711	2.1
175.04089	7.5
179.05602	2.2
189.05124	1.1
193.05054	19.1
199.02483	1.6
201.11310	1.7
511.29303	10.2
571.20862	13.4
571.31342	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.15299	0.3
67.32934	0.4
95.46754	0.4
99.26079	0.4
114.64783	0.5
148.92039	0.4
188.93179	0.5
208.81128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	34.2
65.19581	3.0
70.35741	3.0
70.79486	2.5
89.01957	3.0
92.61404	3.1
98.09645	3.7
105.19004	3.6
131.55591	3.2
183.13847	5.1
275.20190	7.3
277.21722	100.0
293.21234	56.5
295.22314	3.6
311.22235	14.2
341.24249	4.0
571.43738	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22734	0.4
71.48688	0.5
78.14314	0.4
84.63860	0.4
166.44380	0.4
176.04189	0.5
241.21745	100.0
255.23289	0.8
311.65463	0.5
322.50189	0.4
504.05276	0.5
571.28278	0.6
571.37866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.8
59.01690	1.2
63.88323	0.5
73.16582	0.6
81.37798	0.6
92.23095	1.2
153.37140	0.5
159.04526	3.4
194.51556	0.7
215.97778	0.6
250.08652	0.7
292.06198	9.2
293.06985	6.1
294.07806	9.0
307.05093	0.8
320.05447	0.8
321.06482	24.8
322.07288	14.1
335.04218	0.8
349.05844	1.1
350.06735	100.0
464.05890	0.6
563.85150	0.6
572.14337	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
61.98825	1.2
66.06452	0.5
71.62832	0.6
85.02955	0.7
88.97626	0.5
94.01550	0.6
111.12502	0.6
113.02441	100.0
122.15006	0.6
171.52258	0.6
186.12415	0.7
313.11731	0.6
393.20908	0.6
545.57733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.00665	0.4
61.34410	0.4
63.63284	0.4
67.73727	0.4
85.02941	1.9
113.02444	100.0
116.82562	0.6
166.77245	0.4
180.03177	0.5
254.79543	0.5
339.28787	0.6
424.51526	0.6
425.96686	0.5
503.05600	0.6
555.35083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74506	0.5
51.31989	0.5
53.55387	0.6
57.03449	1.4
59.01387	1.1
65.99880	1.2
79.42710	0.7
84.00920	0.8
85.02947	3.4
93.82675	0.6
99.00875	2.5
113.02448	100.0
120.86785	0.6
143.35989	0.7
145.02979	0.7
148.24416	0.7
198.03983	0.8
220.92670	0.7
368.19611	0.8
413.44623	0.9
419.70047	0.7
458.12872	4.8
513.79443	0.7
572.16394	18.8
572.24585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41274	0.9
59.01382	8.3
61.98823	1.4
66.27847	1.0
71.01366	5.0
82.77602	1.0
89.02420	6.3
101.02446	7.2
113.02445	2.2
115.03899	1.3
116.05024	2.3
117.02020	1.1
119.03503	2.2
119.05017	2.4
126.95956	1.0
142.06625	66.5
145.02968	9.8
146.03267	1.4
149.02414	9.8
158.06133	6.2
163.03947	2.1
164.04819	14.8
186.05620	63.6
190.02707	15.1
191.03564	1.8
204.06668	42.8
205.05081	16.7
206.05859	1.4
221.08186	1.5
223.06143	10.8
246.07715	1.8
265.07178	4.2
299.59445	1.1
336.86490	1.4
366.11975	47.3
462.60321	1.4
561.46814	1.3
572.17847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55407	0.4
59.01381	0.8
67.01883	4.6
71.01377	3.1
73.02937	0.9
77.34187	0.5
85.02938	0.9
101.02431	1.2
106.04241	30.7
108.02183	4.3
111.00875	100.0
113.02437	0.9
138.03255	0.8
146.02483	0.9
161.04559	4.5
298.14508	44.9
460.19897	21.3
572.21802	6.0
578.79053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97038	0.4
67.44870	0.4
71.01342	0.4
78.85472	0.4
85.86246	0.5
94.02974	10.7
102.42367	0.5
102.70634	0.5
124.04035	100.0
191.05676	0.7
210.07735	57.0
233.77927	0.4
375.95517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53163	0.6
56.59953	0.5
64.71251	0.5
101.02441	7.1
110.09765	0.9
110.75273	0.5
116.07144	0.9
127.58103	0.7
130.08736	100.0
172.09796	3.9
191.05730	1.1
202.10875	16.2
244.11967	0.9
292.14053	17.5
362.80151	0.7
413.11182	0.8
441.16153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05618	0.4
58.51357	0.4
65.57716	0.4
72.81941	0.4
73.30186	0.4
76.15221	0.4
92.22504	0.5
95.70194	0.4
97.06582	1.6
102.95507	0.4
111.65823	0.4
123.08126	0.6
125.09719	27.3
139.72635	0.5
142.12378	0.7
169.08604	0.6
186.11363	100.0
189.02718	0.5
195.93427	0.4
250.34109	0.4
403.77475	0.5
572.30865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06022	0.5
56.61293	0.6
57.60839	0.5
59.01381	23.9
72.78981	0.6
72.79388	0.6
77.98466	0.5
103.00357	8.5
103.04018	1.3
133.05060	12.8
161.02467	0.7
175.06117	4.3
179.03508	0.7
191.05624	100.0
219.05124	1.1
290.13226	0.6
353.08826	25.4
372.28189	0.6
379.73660	0.6
386.81451	0.6
434.06714	0.7
535.50732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76912	1.2
52.98700	1.4
53.93430	1.3
59.01386	7.6
71.01377	2.6
71.89252	1.5
76.63256	1.7
87.00892	1.7
90.38478	1.5
92.23065	2.5
93.03458	29.5
95.05066	1.6
98.12172	1.6
101.02424	2.2
111.04515	3.1
113.02456	2.3
134.03737	9.3
137.02443	35.3
149.02435	20.2
149.06067	1.7
155.03505	12.9
160.01648	2.0
164.04787	33.7
173.04543	100.0
174.19472	1.8
175.04030	10.7
179.07147	1.7
191.05586	3.6
193.05096	7.6
223.06142	31.5
298.08206	1.9
333.06107	1.8
349.09369	16.2
361.34512	1.7
397.11432	80.7
486.79892	1.9
502.43405	1.8
573.16418	9.0
573.25421	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39711	0.6
52.13021	0.6
54.25764	0.5
56.21618	0.5
59.01380	1.5
71.01369	1.3
72.99306	54.2
74.28834	0.6
89.02434	1.4
113.02470	0.8
123.04517	22.6
131.04608	1.4
135.04532	30.2
146.23119	0.6
151.03996	1.3
165.91623	0.6
179.03510	50.6
183.94936	0.6
191.05716	0.7
197.04570	100.0
203.34506	0.6
231.08701	0.7
241.63281	0.8
250.55493	0.7
295.10361	1.0
359.10080	0.8
394.19946	0.7
573.16626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53246	0.5
59.01379	0.6
61.02462	0.4
72.99302	50.6
80.00795	0.4
82.02455	0.5
89.02419	1.0
96.95967	0.5
109.02919	0.6
123.03644	0.8
123.04514	22.3
134.03699	0.6
135.04521	28.7
136.84549	0.5
151.03969	1.0
179.03505	48.9
191.05704	0.7
197.04546	100.0
323.77490	0.5
537.18402	0.7
573.17310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	52.6
82.59548	0.6
91.94726	0.7
97.41717	0.8
123.04517	21.9
127.43966	0.7
135.04529	33.8
151.03943	1.4
161.71539	0.6
162.38675	0.7
165.07491	0.7
179.03510	48.3
184.22426	0.7
197.04570	100.0
238.29079	0.8
285.93045	0.9
339.87360	0.8
379.36673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01657	1.6
59.01384	17.6
60.82214	1.8
61.42525	1.6
70.29277	2.1
71.01379	9.5
71.02423	2.0
87.90604	1.9
89.02431	14.0
91.16086	2.1
92.09473	2.1
96.96002	4.1
101.02458	8.6
113.02392	3.9
119.03512	2.9
120.27983	2.1
129.63278	2.3
136.66530	2.0
164.04770	12.0
165.05244	2.4
176.01178	8.7
179.07137	7.7
190.02657	14.7
191.03551	38.1
205.05061	83.0
206.05817	12.8
221.08296	32.2
223.06129	65.3
237.07584	14.9
250.04837	8.2
265.07181	75.7
274.40256	2.2
279.10950	2.5
295.08081	4.5
325.09299	9.6
351.21707	5.2
355.03143	2.4
385.11206	2.5
485.16714	86.9
573.18298	100.0
573.26007	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39711	0.6
52.13021	0.6
54.25764	0.5
56.21618	0.5
59.01380	1.5
71.01369	1.3
72.99306	54.2
74.28834	0.6
89.02434	1.4
113.02470	0.8
123.04517	22.6
131.04608	1.4
135.04532	30.2
146.23119	0.6
151.03996	1.3
165.91623	0.6
179.03510	50.6
183.94936	0.6
191.05716	0.7
197.04570	100.0
203.34506	0.6
231.08701	0.7
241.63281	0.8
250.55493	0.7
295.10361	1.0
359.10080	0.8
394.19946	0.7
573.16626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73565	0.9
67.68384	0.9
68.66711	0.8
72.99307	59.4
90.00634	0.8
92.82813	0.8
120.47553	1.0
123.04516	24.6
135.04521	33.4
151.03998	2.1
172.03487	1.2
179.01927	1.3
179.03508	56.9
197.04572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60218	0.9
58.00593	1.2
59.01385	19.4
61.17552	1.0
71.01377	11.9
73.02957	2.3
78.28493	0.9
85.02930	2.5
87.00866	12.5
88.98793	1.6
89.02428	10.7
93.03461	23.1
100.48299	1.2
101.02438	11.8
108.53012	1.0
111.00856	1.0
113.02453	6.7
117.03417	2.2
119.03568	1.2
123.04474	1.5
131.05042	4.5
133.02953	2.3
134.03735	1.8
136.01619	1.3
137.02470	4.1
143.05026	15.6
145.02942	2.4
145.06598	4.0
147.04498	1.1
151.04007	2.6
158.03714	1.5
159.04533	2.2
161.04590	1.4
163.06770	1.1
171.04489	2.4
193.04990	2.3
198.40192	1.0
207.33359	1.1
207.35365	1.1
208.83406	1.1
211.07661	100.0
223.07561	8.8
235.07599	5.7
237.09224	15.0
239.10786	2.5
247.07582	1.7
253.08742	2.2
263.11227	1.6
265.08694	56.3
273.18649	2.0
305.86835	1.4
309.07617	10.5
327.08603	2.2
333.58859	1.3
351.21786	11.5
361.11462	2.4
373.09238	1.5
409.15207	1.7
416.66205	1.2
495.26132	17.5
513.19958	1.9
513.27112	28.6
529.20831	14.0
573.19830	25.0
573.28003	2.0
600.77533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
65.03964	0.6
68.93684	0.6
71.01376	2.5
73.02941	0.7
83.05016	0.7
85.02950	0.8
85.92936	0.6
89.02440	2.5
98.15836	0.6
101.02451	8.7
110.09737	1.0
111.04502	1.4
113.02417	0.9
117.01929	0.7
127.03975	1.0
128.03508	0.9
130.08731	100.0
131.09064	2.6
133.01465	1.6
138.94640	0.6
155.03587	1.0
172.09911	1.1
173.04523	2.7
189.12384	0.6
191.05620	6.4
199.02490	0.8
202.10880	16.8
213.36310	0.6
231.05130	1.2
233.06728	1.3
239.44298	0.7
280.06802	4.6
292.06949	1.4
292.14063	12.6
374.04507	0.8
433.86215	0.6
545.48212	0.8
577.34082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	3.9
59.01384	94.2
60.70536	2.5
61.56424	2.4
70.72715	2.4
70.93614	3.0
73.04215	2.9
90.08926	2.9
91.71838	2.7
94.51465	2.6
95.37149	2.8
134.03754	25.7
149.06076	54.0
160.01639	16.0
160.78114	3.0
164.04846	4.6
165.05484	11.6
169.03740	3.2
175.04033	62.5
189.77406	2.7
192.04297	3.1
193.05049	17.8
194.88229	2.8
196.06976	3.0
267.08749	54.4
310.21097	2.7
350.56006	3.3
361.66873	3.2
439.16129	100.0
488.59940	3.4
513.19916	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30270	0.4
57.00285	0.4
58.86456	0.4
59.01375	6.0
62.66872	0.4
71.01374	4.1
73.02939	2.5
85.02941	2.1
93.03455	2.0
101.02441	5.1
101.06077	0.9
113.02443	2.6
119.04979	2.1
121.06580	2.6
131.34380	0.5
145.02960	4.8
147.04520	11.7
152.21143	0.5
161.04527	4.5
163.03967	1.1
165.05563	100.0
170.64597	0.6
190.35913	0.7
191.05627	9.7
223.07593	0.7
254.45132	0.5
263.11530	0.9
275.53952	0.5
376.93036	0.5
409.14893	1.1
411.16629	61.1
495.60974	0.6
501.33740	0.5
513.27661	0.5
569.09387	0.6
573.22125	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2197
Annotation	Iandonoside B
Peak:m/z	Relative Intensity
59.01373	6.8
62.86110	0.5
66.48687	0.6
66.69321	0.5
71.01379	4.9
73.02955	0.7
85.02956	0.8
89.02425	3.5
93.03445	2.8
94.67360	0.5
100.00760	0.6
101.02448	5.5
113.02438	4.7
119.03475	1.2
121.06576	2.4
146.91269	0.7
147.04497	12.2
161.04575	4.8
165.05566	100.0
177.05458	0.7
207.06662	3.2
263.11206	4.7
411.16635	80.0
573.22266	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07264	0.6
53.16283	0.5
53.79533	0.5
53.94444	0.5
57.97565	0.6
59.01102	1.1
59.01384	22.2
71.01401	0.9
72.99299	8.6
76.45666	0.6
85.02946	1.0
89.02433	0.6
101.02464	1.0
123.04520	1.3
135.04536	1.5
143.07193	1.0
146.03738	26.7
146.58557	0.7
161.04597	3.0
161.06049	17.7
164.04794	23.0
179.03746	5.8
179.07141	100.0
195.03064	1.5
197.04568	14.3
204.18518	0.7
225.11403	1.3
235.08194	0.6
284.97604	0.7
359.09891	1.6
415.16110	17.8
457.13647	10.0
573.14917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
60.62846	0.6
62.64661	0.6
63.08379	0.5
66.42722	0.7
66.64112	0.7
67.64483	0.6
71.01372	4.8
73.02936	1.2
75.55689	0.6
85.02940	2.8
89.02460	1.0
99.00859	0.9
101.02447	5.7
111.00933	0.8
113.02429	4.1
121.02962	1.3
147.04497	5.4
149.01231	1.2
149.02438	31.6
161.04553	2.9
163.08553	0.7
164.04790	100.0
175.00400	0.8
179.07112	9.9
190.02751	11.7
205.05086	17.5
208.03763	3.5
223.06120	94.1
235.11890	5.8
349.15024	1.3
367.16232	1.5
573.21924	44.7
573.30835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68864	1.8
59.01383	100.0
68.66994	1.7
69.84333	1.7
71.01386	17.5
73.02913	2.2
79.72575	1.7
87.00872	15.9
89.02449	22.4
95.01423	2.4
95.54021	2.0
96.96002	4.1
101.02444	17.9
102.50691	1.6
113.02440	9.8
119.03474	4.6
121.12231	1.9
134.03737	27.5
136.01642	3.0
138.64917	2.4
149.06079	49.8
151.88042	2.0
160.01680	9.7
161.04575	4.0
169.08739	2.0
173.66359	1.8
175.02586	3.5
175.04007	71.8
179.05574	3.0
192.04306	3.4
193.05075	20.3
197.04419	1.8
233.83415	1.9
241.14442	14.8
267.08740	90.9
351.21814	16.4
439.16150	88.9
495.25916	12.0
510.38657	2.2
513.19702	27.0
513.27130	11.1
577.18671	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
71.01371	16.6
76.73212	1.5
83.01364	1.4
85.02924	2.3
87.00859	13.9
89.02439	15.5
101.02444	17.7
105.59332	1.6
113.02452	8.6
121.02953	4.0
121.48309	1.8
142.16600	1.7
149.02446	22.4
150.03212	63.2
150.04330	3.2
153.05624	1.6
159.02884	2.2
159.51497	1.5
161.04546	2.1
161.42159	1.6
164.04794	23.6
165.05562	100.0
166.06360	32.2
180.04259	9.4
181.08710	26.1
195.06615	39.3
235.33533	1.5
273.18649	2.8
285.07776	2.8
311.24448	1.6
313.10828	6.6
314.11633	13.3
329.10370	3.1
329.13971	25.5
343.11923	17.7
351.21802	2.3
353.93604	2.1
377.15985	7.6
391.13977	9.9
423.23676	2.2
483.26096	13.4
513.27203	40.1
525.21356	40.6
573.23511	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2846
Annotation	Meliavolkinin
Peak:m/z	Relative Intensity
59.01386	4.7
61.98838	6.4
64.55248	4.2
69.23734	4.0
95.34801	4.7
96.82672	4.3
573.28406	100.0
573.37097	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30546	0.5
59.01375	3.3
61.98869	0.6
63.61865	0.8
66.39591	0.7
70.41353	0.6
70.97544	0.6
72.12953	0.6
78.86478	0.6
94.53644	0.6
113.02444	100.0
115.17577	0.7
135.77371	0.6
203.64215	0.8
260.68839	0.7
277.21738	4.9
279.23480	0.8
370.05978	0.7
529.22955	1.2
573.28882	3.3
573.38000	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60560	19.1
59.01385	100.0
149.41127	21.4
185.95343	23.6
417.21634	25.0
573.28967	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44331	10.6
59.01382	12.8
61.98825	31.6
68.75256	11.6
72.02873	12.3
77.75362	12.3
88.47385	12.1
92.23101	17.6
104.01826	12.5
207.44196	12.3
222.78671	11.8
277.21805	100.0
343.82443	13.4
573.28638	87.4
573.37872	30.1
599.25787	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10856	0.3
56.45622	0.3
59.01103	0.7
59.01381	15.2
59.91169	0.3
61.49107	0.5
71.01378	0.6
89.02390	0.4
134.03766	0.5
149.06062	0.7
152.60080	0.5
175.03979	0.8
187.09767	1.8
200.06015	0.4
219.87914	0.5
267.08691	0.8
333.20828	1.9
351.21793	100.0
439.16046	2.3
513.27124	16.8
535.41663	0.4
573.20496	0.6
573.29340	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15262	0.7
59.01384	40.2
65.12598	0.6
68.29245	0.7
71.01374	6.7
73.02959	0.8
78.45206	0.7
85.02969	1.8
87.00880	7.6
89.02451	5.3
92.23080	0.8
96.95985	0.7
101.02461	6.4
102.51951	0.7
113.02439	4.4
119.03477	2.8
131.03412	0.7
134.03716	5.4
149.06099	10.5
153.61293	0.7
160.01610	1.4
161.04596	0.9
175.04007	16.0
177.05652	0.7
192.04376	1.0
193.05063	4.8
234.94951	0.7
241.14503	7.2
243.28677	0.8
255.22348	0.7
267.06085	1.2
267.08795	19.8
273.18781	1.2
286.95789	0.8
303.19662	8.3
317.21274	0.9
321.20813	6.3
324.66302	0.8
333.20786	7.1
351.21802	100.0
393.22739	0.9
415.23511	1.3
439.16129	19.5
495.26169	6.5
513.19769	6.2
513.27142	20.0
573.29572	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01098	0.6
59.01380	10.6
61.98847	0.4
62.17374	0.3
66.67694	0.4
71.01370	3.1
72.99311	0.9
73.02925	0.5
85.02953	0.6
89.02430	4.5
101.02412	3.1
113.02450	6.2
119.03491	2.4
161.04515	0.6
179.05595	2.0
182.65826	0.4
245.19084	0.8
273.18628	1.9
281.04517	0.7
296.06799	0.5
333.20764	6.5
347.22220	0.4
351.21802	100.0
393.22946	4.0
513.26965	2.9
529.26465	0.9
557.71692	0.4
573.21014	0.5
573.29944	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40978	0.1
55.01885	0.2
55.46956	0.1
57.41654	0.1
57.97562	1.1
59.01385	1.5
61.98833	0.4
66.60082	0.2
68.51914	0.1
68.89047	0.2
78.01126	0.2
83.05009	1.2
85.02941	1.7
89.23595	0.2
111.04525	0.4
113.02441	100.0
114.92209	0.2
153.54202	0.2
155.03516	0.3
193.29242	0.2
258.75134	0.2
328.40100	0.2
353.39410	0.2
503.89996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70284	2.2
59.01383	27.5
60.77863	2.5
61.98832	3.8
71.01373	16.9
82.94193	2.3
89.02444	36.3
99.83311	2.3
101.02457	19.4
109.48199	2.7
113.02434	12.8
119.03496	5.8
125.09710	5.8
181.12334	11.7
187.09769	12.1
200.12981	3.2
241.15790	2.8
279.10855	3.9
280.27359	2.9
291.67606	3.0
293.21378	11.4
311.22345	63.0
332.78674	2.5
537.48608	3.2
573.32782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08909	0.4
59.01379	11.5
62.33561	0.5
65.50961	0.5
70.70058	0.5
71.01379	2.1
74.09864	0.4
78.95898	0.5
88.97314	0.4
89.02437	2.1
101.02433	2.3
106.44821	0.4
113.02454	0.8
119.03543	0.5
139.03239	0.5
161.04536	0.9
164.81291	0.5
184.53041	0.5
229.33919	0.5
235.08192	1.0
253.09309	12.9
257.46765	0.5
259.20724	0.6
275.20099	0.5
277.21747	100.0
313.06293	0.5
513.30701	5.2
526.11548	0.6
538.38965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29058	1.7
54.46587	1.8
59.01377	9.7
61.98823	2.7
70.24231	2.2
70.84286	2.5
71.01378	2.5
75.95154	2.0
96.95971	2.1
97.06585	13.9
125.09712	97.5
126.93270	2.4
127.11314	2.7
139.11293	13.3
142.71115	2.2
159.06680	8.1
169.08760	5.4
171.10289	26.9
172.51955	2.7
187.09764	90.8
187.11438	3.7
200.12984	3.0
209.95293	2.2
211.13405	11.1
229.14481	3.3
261.13434	13.2
270.52371	2.4
329.23328	29.8
469.11530	3.1
499.16037	2.6
573.29034	18.9
573.36505	100.0
592.92706	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.3
58.91941	1.1
59.01387	2.5
61.98820	1.5
62.72811	1.3
71.01395	1.6
75.12643	1.2
97.06585	5.1
99.08131	2.0
111.08144	2.4
125.09714	75.9
133.01363	2.0
139.11310	5.7
140.02736	1.4
169.08705	2.1
171.10292	21.9
173.08224	5.0
187.09763	65.1
201.11382	1.3
211.13414	17.2
229.14468	9.3
243.31145	1.4
261.13507	6.7
283.38675	1.4
329.23407	25.6
573.36700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
72.72476	8.1
90.38000	5.8
92.19853	6.1
93.10927	5.5
98.49829	6.9
109.55257	5.9
212.29730	7.9
222.02917	6.2
277.21667	8.1
279.23380	100.0
293.21255	37.2
341.94046	7.1
345.41907	6.1
346.02991	6.2
403.68710	7.1
573.45685	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.3
59.01380	4.5
76.01243	0.8
84.02164	0.9
85.02947	100.0
101.02457	1.7
102.05593	4.5
103.00353	1.4
111.00850	5.6
113.02435	1.6
129.01942	6.3
142.91022	0.9
147.02986	6.8
152.03551	1.1
173.00826	1.0
183.62068	0.9
191.02007	27.2
191.05621	1.3
193.05106	1.9
209.03044	4.6
349.70032	1.0
385.07816	48.7
449.88046	0.9
471.65070	1.0
545.44659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60493	0.8
56.19641	1.1
56.52012	1.0
59.73366	0.9
61.98818	5.0
72.99306	8.1
78.95912	1.3
92.22800	5.6
96.27722	1.1
121.02928	10.1
122.03693	8.1
123.04500	5.0
125.09708	6.3
126.10046	2.3
133.02982	2.5
135.04510	4.5
142.97206	1.1
149.02452	5.9
159.10344	1.3
187.09795	5.4
188.10130	1.8
210.05324	2.6
306.04105	5.3
309.73291	1.3
320.05606	1.8
321.02859	5.9
334.03625	91.9
336.05249	23.6
349.05991	24.8
351.07693	8.3
364.08463	8.3
574.13647	100.0
574.33112	10.2
591.05255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04951	0.9
60.10656	1.0
61.75746	1.1
61.98821	5.4
72.99303	8.4
75.00871	1.1
89.03951	2.2
102.22482	1.3
103.11489	1.1
112.92822	1.3
117.03437	7.0
121.02942	9.5
122.03710	8.3
123.04520	7.1
140.13396	1.0
140.27081	1.1
140.46313	1.1
149.02431	8.8
174.14897	1.2
192.50278	1.2
210.05373	4.3
224.86716	1.1
334.03610	85.0
336.05008	4.6
348.05075	2.1
349.05939	25.5
351.07770	1.3
364.08450	11.0
574.13641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99778	2.3
57.45396	2.6
60.50798	2.3
61.98838	4.9
68.61314	2.1
69.26613	2.1
72.99310	12.9
121.02951	5.6
123.04536	2.8
133.02950	20.1
142.10326	2.6
149.02405	13.4
151.04050	5.6
177.01884	6.5
194.34712	2.9
272.20419	3.1
279.20404	2.8
311.67722	2.9
321.02502	4.1
334.03552	30.9
336.05237	22.6
349.05994	10.9
351.07632	6.5
358.67776	3.1
516.12018	3.0
574.13458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87356	0.9
54.20752	1.1
56.83456	1.0
58.18779	1.0
59.01381	6.8
59.21377	1.1
71.01369	4.6
80.87359	1.0
85.02939	1.5
89.02437	7.0
96.96987	2.0
101.00645	11.0
101.02462	9.2
111.00883	18.3
113.02409	2.8
119.03502	1.6
120.01243	100.0
121.50038	1.2
128.03513	1.4
129.01955	2.9
144.99666	11.3
152.07344	1.2
161.04626	1.4
162.02255	1.8
179.05583	2.2
187.08586	1.3
191.05722	1.5
192.03391	11.1
232.02908	2.0
264.05557	1.3
282.06525	16.9
349.35513	1.2
394.08194	1.3
412.09027	9.1
574.14563	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12096	1.0
52.69718	1.3
55.68227	1.0
56.73991	1.0
59.01381	7.7
61.98833	8.6
62.41266	1.0
71.01382	3.1
82.06163	1.1
87.61574	1.4
87.62138	1.2
91.55833	1.3
92.04971	1.2
93.66973	1.3
99.33112	1.2
101.02433	1.1
116.05045	9.4
130.06635	10.2
132.04532	1.7
132.08217	2.2
134.06125	5.3
142.06599	5.0
144.04552	39.2
146.02492	23.3
146.06105	2.2
147.04506	2.5
148.07660	2.0
149.02440	15.3
157.05295	2.0
158.06104	35.9
162.05624	5.7
164.04803	45.7
174.05641	2.2
175.00369	6.1
176.07152	9.5
179.07149	11.0
186.05621	9.7
190.02721	53.9
191.03584	5.2
204.06691	8.4
205.05063	100.0
206.05894	10.6
208.03778	5.2
221.08194	15.4
223.06100	42.7
247.06049	1.9
250.04778	6.7
265.07220	16.2
279.09509	1.4
325.09308	53.7
367.10538	9.6
443.83835	1.5
512.15686	16.5
514.13574	43.1
530.16553	2.3
556.15021	11.8
574.15649	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17831	1.0
58.54186	0.9
59.01381	68.6
60.12081	1.0
61.98827	4.5
62.57428	0.8
77.78232	1.2
78.72594	1.1
88.66356	1.0
123.04507	10.6
131.84286	1.3
135.48198	1.1
136.01660	5.6
151.04010	24.3
176.03543	1.3
279.06635	1.4
294.07642	1.3
306.07468	2.1
324.08801	84.9
352.08292	100.0
385.15500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31641	1.2
59.01379	31.3
299.05362	1.8
308.05573	3.5
323.07919	2.4
324.08896	1.7
336.05109	24.0
337.05951	57.6
351.07452	6.6
352.08267	100.0
514.13531	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	1.4
71.26418	0.5
101.00663	5.4
110.06104	1.1
111.00874	53.5
120.01239	100.0
144.99652	3.5
146.03766	1.4
161.06079	1.4
164.04797	2.4
168.72932	0.6
179.07141	6.3
179.18837	0.5
220.18269	0.7
232.02890	3.0
249.18954	0.7
279.10443	0.6
453.13885	1.0
505.60190	0.6
565.47437	0.7
574.15979	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.2
63.77735	0.7
92.23192	0.9
134.03656	1.1
151.04007	2.4
193.05013	1.3
194.05241	1.1
307.04840	3.8
322.07230	84.5
337.09607	56.3
352.11917	100.0
370.09406	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44195	0.3
64.40896	0.3
73.22762	0.3
78.00856	0.3
79.70415	0.3
81.81555	0.3
82.26499	0.3
89.02499	0.3
97.06573	1.3
125.09711	27.9
139.07199	0.3
142.12343	1.8
165.05623	1.2
166.05850	0.6
168.10316	0.5
169.08763	0.5
186.11356	100.0
358.11514	0.4
412.17105	0.8
461.05945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4517
Annotation	Sulfobacin B
Peak:m/z	Relative Intensity
54.09470	0.3
64.19207	0.3
65.08619	0.3
76.43388	0.3
79.95731	2.1
80.37767	0.3
80.96508	4.0
102.35909	0.4
158.52936	0.4
188.08426	0.4
194.30511	0.4
266.24725	0.4
333.21115	6.8
341.14178	0.4
350.23734	1.7
546.60614	0.4
556.44659	0.5
574.45184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97185	0.5
59.01377	1.0
71.01378	1.0
78.95903	36.6
89.02434	4.2
92.33062	0.6
96.95973	3.0
96.96957	100.0
101.02440	1.2
119.03466	1.2
128.53105	0.6
135.04521	5.6
147.09392	0.6
153.05559	0.8
181.21515	0.6
273.30026	0.6
315.10928	13.3
392.36600	0.6
416.56995	0.6
477.16458	8.3
575.14008	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90866	1.3
55.01874	3.1
59.00394	1.5
59.01387	23.4
69.03453	100.0
70.07172	1.4
71.01379	15.3
72.99329	2.0
73.02947	3.8
83.01419	1.8
85.02956	7.2
89.02436	3.7
95.01396	2.3
97.02950	23.0
99.00872	25.6
101.02437	15.8
105.01904	2.1
113.02451	8.7
117.40800	1.5
126.54994	1.8
131.03522	2.0
141.01959	9.6
146.51881	1.8
150.03189	2.9
161.04588	3.7
165.05588	7.5
184.99297	3.2
185.00931	72.5
191.05647	17.4
193.05144	2.0
194.00510	1.8
195.06757	3.3
200.13022	6.7
229.01488	2.9
281.04614	7.1
293.21259	10.6
296.06985	9.8
297.07803	1.8
311.09198	4.0
353.23404	15.2
383.07706	33.4
440.11700	1.8
515.28662	81.2
575.14197	44.7
575.30573	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89099	0.6
59.01372	1.6
61.82211	0.6
70.28548	0.6
71.01336	0.6
72.13837	0.7
72.99274	1.2
75.00865	1.7
87.00860	4.3
103.03848	0.9
105.01929	62.0
146.34708	0.7
149.02409	1.4
152.84998	0.7
164.04788	4.9
188.12677	0.9
190.02693	1.4
190.99817	4.7
192.00658	93.8
205.05075	5.9
206.02156	1.2
206.09927	0.8
207.03003	100.0
223.06116	2.9
229.19693	0.7
369.08328	6.3
469.16934	3.9
552.92798	0.8
575.14105	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04139	0.7
58.34265	0.6
59.01382	11.2
62.00026	0.7
63.75574	0.7
64.08267	0.7
64.08579	0.8
71.01379	3.7
73.02960	1.0
75.43201	0.8
83.05004	1.9
85.02933	2.0
89.02440	3.6
89.79119	0.7
93.03448	3.9
96.96063	0.8
97.06540	0.8
101.02433	1.3
109.02912	1.1
111.04523	1.7
113.02467	1.9
119.04926	1.1
127.03979	1.7
131.09926	0.9
137.02422	1.1
145.02953	1.4
146.03734	10.7
147.04509	25.7
148.85257	0.9
155.03510	1.8
159.04472	1.2
161.06039	1.4
162.03206	3.4
173.04533	12.9
185.02466	0.9
185.35570	0.8
189.05530	1.2
191.05612	38.0
199.13425	0.9
229.01385	11.9
263.03470	1.0
265.05051	3.7
281.04498	14.4
282.05344	2.9
283.06177	3.4
293.04431	1.7
295.06241	1.0
296.06885	19.0
297.07642	7.2
298.08511	4.5
309.04123	8.4
311.09250	18.5
313.10812	9.0
324.06247	7.9
339.08640	12.8
353.02975	1.9
357.09784	11.0
368.05362	5.2
383.07755	100.0
401.08768	5.2
515.28638	1.4
531.15051	1.7
575.31085	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71083	0.4
59.01388	1.0
71.01378	0.8
75.00869	4.2
85.02952	0.6
89.02448	1.9
101.02498	0.5
117.01904	0.8
127.03986	0.7
127.25996	0.5
135.03001	100.0
135.04453	4.7
161.02409	5.0
179.03503	14.7
179.98982	0.5
207.10329	3.5
233.08157	2.7
264.94904	0.5
277.07257	0.7
285.76309	0.5
293.10553	0.6
297.06201	2.3
367.44031	0.5
382.63333	0.6
515.14105	2.8
575.16266	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65262	0.2
53.24722	0.3
58.34149	0.3
59.01387	0.4
62.68920	0.3
74.09859	0.4
85.02934	2.0
87.00867	0.6
88.26128	0.3
92.70759	0.4
93.02569	0.3
93.03455	0.5
95.91001	0.3
96.28432	0.3
101.02442	2.2
111.04491	0.4
113.88935	0.3
117.01906	0.6
118.54262	0.4
127.04002	0.5
130.08733	23.2
172.09801	0.7
180.46915	0.3
191.05626	100.0
202.10838	3.7
232.90131	0.4
284.38092	0.4
289.62845	0.3
292.14035	4.6
335.95041	0.4
396.24048	0.4
451.63239	0.3
524.49432	0.4
529.65515	0.4
570.82996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12015	1.7
59.01389	17.0
64.95496	1.8
69.06976	1.9
71.01385	8.7
71.53164	2.3
73.02940	3.3
85.02969	4.2
89.02444	3.8
94.92970	2.0
101.02443	13.8
107.21275	2.1
113.02445	10.5
119.05025	4.3
134.31085	2.4
149.06061	2.6
150.03281	4.4
161.02458	13.1
163.04024	3.3
164.04770	3.4
165.05531	16.5
181.08679	3.2
181.16304	2.5
190.72406	2.1
191.05635	11.6
211.07689	4.1
239.10852	2.5
243.87395	2.2
314.71942	2.1
329.13974	11.7
491.19330	21.7
504.18051	2.4
537.19482	2.4
539.21405	100.0
575.16949	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62050	1.2
59.01381	8.3
71.01369	6.6
82.98942	1.3
85.02955	2.5
101.02441	7.8
113.02395	2.7
118.40974	1.4
119.46670	1.7
131.07335	1.4
133.02925	2.1
150.03197	8.2
164.04715	2.6
165.05571	16.6
181.08675	3.1
192.68759	1.5
195.02251	1.5
249.72603	1.4
314.11526	3.0
329.14111	13.3
343.14197	2.7
491.19144	19.7
539.21375	100.0
573.68530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37251	0.8
57.43428	0.9
72.99299	53.2
83.25347	1.0
92.44231	1.0
108.59010	0.9
114.31149	1.0
123.04503	28.0
135.04521	31.7
135.05511	2.0
151.04008	4.4
179.03488	57.1
197.04565	100.0
206.61378	0.9
442.98575	1.0
506.07443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20774	0.7
57.91034	0.8
59.01366	1.1
59.15904	0.8
71.01381	1.0
72.99301	42.7
77.55451	0.8
80.14166	1.0
85.20503	0.8
92.22495	1.3
96.79156	0.7
96.96971	0.8
98.13351	0.9
109.04076	5.7
123.04520	21.4
135.04533	26.5
151.03987	4.0
167.01669	1.0
179.01939	1.4
179.03508	42.7
181.05072	3.3
191.05534	1.2
195.07640	1.4
195.62540	0.9
197.04564	100.0
216.33400	0.8
226.11877	0.8
575.19751	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86214	0.4
54.81443	0.4
56.06742	0.4
59.01385	1.3
72.99310	2.2
75.00869	4.5
85.02948	0.7
87.00872	3.7
101.02447	1.0
105.01933	100.0
113.06070	0.5
145.82504	0.6
190.02731	1.4
192.00661	4.3
205.05083	6.0
207.02942	5.1
469.17346	4.4
575.14453	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21514	1.0
52.26683	1.0
56.61717	0.9
59.01098	1.9
59.01380	31.1
59.90515	0.8
67.09212	1.0
71.01373	17.9
71.64980	0.9
85.02950	2.0
89.02436	23.0
97.02937	9.9
101.02430	13.0
110.23857	1.3
113.02458	9.1
115.03974	2.5
116.92860	9.4
119.03465	8.9
123.04518	48.2
127.03960	1.3
135.04509	13.4
139.04036	1.6
153.05571	100.0
243.78336	1.1
259.08221	9.7
277.09271	13.7
297.09747	2.7
305.93237	1.2
315.07272	4.2
315.10818	19.2
395.13715	1.8
421.13727	7.1
515.28973	2.0
575.20020	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32430	0.8
56.74337	0.8
59.01379	10.7
66.01084	0.8
69.38129	0.8
71.01377	15.6
73.02937	1.7
76.30422	0.9
83.01376	1.4
85.02943	5.5
87.00845	1.6
89.02446	1.6
91.14252	0.8
99.00909	1.8
101.02421	6.0
111.00857	4.5
113.02448	1.6
118.19032	0.9
151.74124	0.9
169.12373	1.4
171.10294	4.3
173.04562	1.3
191.05652	1.5
218.61063	1.0
271.03040	1.1
282.09064	7.0
293.08313	2.1
295.09793	4.7
311.09055	1.3
314.08176	1.3
325.10800	1.4
326.11685	20.4
327.12476	10.3
341.13907	9.0
355.11972	8.4
369.13733	2.1
408.82336	1.1
473.14365	8.9
488.17014	7.8
503.19308	100.0
575.27783	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32430	0.8
56.74337	0.8
59.01379	10.7
66.01084	0.8
69.38129	0.8
71.01377	15.6
73.02937	1.7
76.30422	0.9
83.01376	1.4
85.02943	5.5
87.00845	1.6
89.02446	1.6
91.14252	0.8
99.00909	1.8
101.02421	6.0
111.00857	4.5
113.02448	1.6
118.19032	0.9
151.74124	0.9
169.12373	1.4
171.10294	4.3
173.04562	1.3
191.05652	1.5
218.61063	1.0
271.03040	1.1
282.09064	7.0
293.08313	2.1
295.09793	4.7
311.09055	1.3
314.08176	1.3
325.10800	1.4
326.11685	20.4
327.12476	10.3
341.13907	9.0
355.11972	8.4
369.13733	2.1
408.82336	1.1
473.14365	8.9
488.17014	7.8
503.19308	100.0
575.27783	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31903	0.4
53.04506	0.3
55.63284	0.4
57.40420	0.4
58.26005	0.4
59.01376	0.5
60.64075	0.4
63.56486	0.4
70.12779	0.5
79.04620	0.4
85.02952	0.5
87.00871	0.5
89.02398	0.5
101.02434	7.2
110.09712	0.6
115.04018	0.7
130.08737	100.0
133.01424	1.1
135.53848	0.5
138.94884	0.4
150.04248	1.0
172.09824	2.9
173.04616	0.5
177.61017	0.5
191.05635	25.7
202.10869	15.9
245.23692	0.4
282.08478	0.6
292.14066	16.3
389.68887	0.5
408.04703	0.5
588.94446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07079	0.7
54.98444	0.8
56.75056	0.7
59.01375	3.5
67.62331	0.6
75.12928	0.8
85.02972	0.8
89.69700	0.7
93.27903	0.8
96.95931	0.8
120.67287	0.8
135.04555	0.9
139.61987	0.9
149.06100	2.0
161.06100	1.0
188.08418	4.7
190.10028	1.7
202.10002	2.0
203.10800	29.3
204.11565	0.9
205.12341	1.9
216.11568	4.7
256.14676	1.1
257.15463	1.5
258.16263	11.4
270.08099	1.0
271.17044	27.8
284.17856	4.5
312.20984	14.0
313.21704	0.9
326.22534	8.5
327.23322	100.0
341.21213	4.4
353.15680	0.9
359.22418	5.0
388.92105	0.9
471.27640	3.1
531.29950	3.8
536.59247	0.9
575.28845	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	5.6
59.13975	3.8
77.34590	4.1
84.68580	4.5
103.24891	4.4
113.02438	5.6
116.09742	5.2
279.23227	5.8
366.09024	5.3
575.29950	100.0
575.39508	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55639	32.7
52.39064	30.4
55.78180	36.6
57.27190	32.1
58.32708	36.3
59.01391	33.0
65.64909	32.2
78.95901	73.7
79.95727	52.6
81.99194	38.4
151.81631	37.0
153.96396	39.8
208.93997	45.0
279.23318	100.0
281.25089	55.4
575.29590	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3003
Annotation	Sanggenol E
Peak:m/z	Relative Intensity
60.42918	16.9
67.44812	18.6
82.91962	21.2
103.82214	26.8
146.40393	21.9
195.31113	20.9
210.67146	22.5
255.23322	28.5
279.23343	84.0
575.30139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3001
Annotation	Sanggenol E
Peak:m/z	Relative Intensity
69.06771	8.0
73.44312	8.6
105.16342	9.5
118.28290	8.7
131.05350	8.5
149.89926	9.3
251.20151	16.5
276.51459	11.2
293.21255	45.9
320.41437	9.5
436.66995	10.1
452.00476	9.9
575.29779	100.0
575.37817	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3002
Annotation	Sanggenol E
Peak:m/z	Relative Intensity
51.82742	5.9
54.58896	6.3
59.18158	6.2
60.74402	6.5
61.76299	6.3
64.99992	7.3
67.35793	6.4
75.25414	7.9
80.96518	6.6
87.00838	9.1
88.00411	10.4
88.98808	100.0
89.02446	89.4
89.36858	6.5
94.22007	6.4
95.17172	6.6
97.26476	6.3
136.38226	8.5
152.48521	8.0
152.72632	5.9
310.67294	7.8
449.67422	8.9
524.94116	8.3
575.30127	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26873	5.4
52.80700	5.0
59.01365	8.3
68.93236	5.9
90.61668	5.4
91.95587	7.2
109.56398	5.9
121.15556	5.7
204.84940	6.2
255.23318	42.6
293.21222	12.1
321.51596	6.6
321.94354	8.1
456.53131	6.0
495.40427	7.7
575.30231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97313	3.2
55.28731	3.6
57.48141	3.9
58.50566	3.3
59.01383	7.7
59.66803	3.5
60.39574	3.3
66.81289	3.7
72.58735	4.5
94.09094	4.1
108.02168	38.0
109.02941	20.2
152.01106	35.8
174.86247	4.4
253.89868	4.6
277.21667	7.9
279.23309	6.7
291.19833	6.9
293.21307	8.8
575.29401	100.0
575.39563	33.0
604.04492	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81433	0.7
52.89093	0.8
53.90340	0.8
57.03447	0.9
59.01385	26.6
68.89336	0.8
71.01383	13.8
73.02946	5.5
76.93232	0.8
83.01391	1.3
85.02952	7.9
87.00852	1.0
88.98794	1.9
89.02432	4.2
96.96030	3.4
99.00876	3.5
99.88362	0.8
101.02451	17.8
111.00890	1.0
113.02429	10.5
158.53036	0.8
161.04558	4.7
182.05843	1.1
183.06606	1.6
194.61913	0.8
197.11295	0.8
219.06927	1.1
293.21280	29.7
351.05154	0.8
353.23419	36.1
433.08395	0.8
447.15216	0.8
515.28705	100.0
575.17694	1.4
575.31293	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.4
59.01653	1.5
71.01375	14.4
73.02941	5.2
83.01396	1.8
85.02934	5.8
87.00890	1.2
89.02435	13.1
101.02450	18.7
113.02449	9.0
119.03517	6.2
131.03520	1.2
137.79637	0.9
159.03033	1.0
161.04561	4.5
224.21642	0.8
235.95277	1.0
279.90994	0.9
293.21280	19.7
353.23389	18.6
362.03342	0.9
487.17032	1.1
515.28662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57282	1.2
59.01382	100.0
71.01384	10.2
85.58965	1.0
85.84821	1.4
89.02437	14.1
92.90161	1.1
96.95990	1.5
98.43021	1.3
101.02437	5.3
105.11327	1.2
113.02421	2.3
119.03488	5.0
123.29835	1.1
148.56793	1.2
161.04510	1.7
163.06046	1.6
179.05623	10.9
437.14694	1.3
515.28754	8.7
531.14209	1.4
575.30774	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28555	0.6
57.87177	0.6
59.01380	5.7
69.93353	0.6
71.01385	1.6
72.11436	0.7
75.00859	5.7
81.27073	0.6
87.00867	0.9
89.02428	4.5
99.08152	22.0
101.02435	1.4
105.01926	6.4
111.04521	0.8
113.02417	3.1
115.47882	0.7
127.03972	1.1
139.82390	0.9
145.08705	100.0
155.03458	2.8
166.02789	0.7
188.64996	0.7
192.04324	1.3
199.02501	2.8
205.05045	1.0
207.06648	3.3
218.10323	0.8
293.21252	0.9
315.81638	0.8
326.14111	0.7
328.31625	0.8
353.23456	1.2
370.09442	0.7
515.28601	9.4
531.28247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45859	0.8
59.01383	13.4
59.98566	1.0
61.44606	0.9
61.98843	0.8
63.33884	0.8
71.01386	2.2
73.02937	1.1
78.95892	1.2
89.02448	1.9
96.88381	0.9
101.02451	1.8
113.02464	1.5
119.03358	1.0
123.04517	59.7
131.77208	1.0
153.05571	100.0
154.23495	1.1
170.14169	1.1
171.10339	1.4
184.52795	1.0
197.11739	1.1
209.15572	1.3
247.17125	1.7
253.09344	4.6
265.18134	1.3
277.21664	9.1
279.23312	79.0
291.23300	5.4
309.20944	6.5
319.22754	1.1
353.82889	1.1
406.78824	1.1
515.31989	4.9
539.32202	14.4
575.31299	9.1
575.40442	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
57.58147	0.7
59.01384	32.8
59.04409	0.6
60.16940	0.7
61.71387	0.6
71.01375	15.4
71.38892	0.6
73.02940	4.5
85.02931	3.2
87.00851	1.5
89.02437	21.6
95.01394	1.0
97.04766	0.7
101.02437	15.7
113.02450	11.9
119.03466	6.4
123.04496	1.7
123.66919	0.8
135.04529	40.1
143.03455	1.2
149.04625	0.7
153.05565	4.6
161.04491	1.5
171.10323	1.1
233.27194	0.8
235.08012	1.1
240.09303	0.7
253.09314	15.7
265.17932	1.2
273.22314	1.3
277.21747	16.9
279.23315	100.0
291.23355	3.2
297.09805	14.8
309.20612	1.2
315.10916	25.4
317.07849	0.8
319.22812	1.2
413.28735	1.2
445.71030	0.8
515.32318	6.1
575.32172	58.4
575.39850	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3231
Annotation	CHEBI:69900
Peak:m/z	Relative Intensity
59.01369	0.6
60.04084	0.4
60.23887	0.3
62.44228	0.4
62.79582	0.4
92.23111	0.4
99.48890	0.4
103.66304	0.4
209.11287	0.4
277.21729	100.0
296.67999	0.4
413.27017	37.2
575.32269	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
71.01365	1.4
72.99323	1.1
80.48322	1.0
113.02415	4.8
139.04024	3.9
152.24086	0.9
186.01587	1.1
255.23309	100.0
269.21317	1.8
306.06625	0.9
306.74826	1.0
353.27090	1.8
367.28458	5.4
395.28180	1.8
575.36438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34064	1.9
59.01379	85.3
68.52889	2.8
71.01377	10.3
78.05537	2.9
85.81178	3.2
97.39217	2.4
98.89159	2.9
122.15582	2.7
195.00627	3.4
197.11821	13.7
255.23282	77.2
269.24893	100.0
277.21765	6.7
279.23422	22.6
297.24396	38.1
343.41522	2.9
575.36639	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21897	0.4
51.75121	0.4
59.01384	9.6
63.10527	0.4
71.01362	2.0
78.93425	0.4
85.02967	0.5
89.02426	2.2
101.02446	3.0
106.75751	0.5
113.02425	1.0
119.03484	0.5
130.46954	0.5
161.04625	0.7
167.10785	0.5
174.85768	0.6
223.02133	0.6
253.09264	9.2
279.23306	100.0
309.20782	0.7
348.84195	0.5
404.44165	0.5
447.65625	0.5
449.35806	0.5
515.32672	3.5
575.39893	3.7
592.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40849	0.5
59.01389	5.3
66.08049	0.5
71.01388	2.5
83.05020	0.6
85.02929	0.8
92.23084	0.6
101.02442	0.9
111.04523	1.1
113.02426	2.3
119.03480	0.9
139.04002	5.8
145.03943	0.6
165.27130	0.6
255.23314	100.0
269.24875	1.1
281.24847	0.9
311.28470	0.6
353.27020	2.8
358.60022	0.6
361.94113	0.6
367.28415	5.4
395.28329	3.9
575.39917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95490	0.3
60.08010	0.3
60.13057	0.4
71.05014	3.0
71.59402	0.4
71.88159	0.4
99.08166	0.4
101.60451	0.4
111.00832	0.6
117.08688	0.4
125.09682	0.5
127.11280	25.6
141.05885	0.4
153.09224	6.0
171.10266	100.0
267.32043	0.4
310.81094	0.5
329.23309	2.7
415.95126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32669	0.9
59.01380	1.5
72.99308	15.4
75.00870	20.9
78.95903	6.9
140.54710	1.1
152.99548	10.7
159.10268	5.8
166.80052	1.1
211.90021	1.4
241.03729	1.2
279.23294	22.8
287.22314	100.0
407.87604	1.5
415.22745	1.6
575.33746	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11126	2.0
59.01384	2.4
62.92151	2.1
68.08984	2.2
81.67164	2.5
88.87614	2.5
89.02441	3.9
90.56567	2.4
136.34296	2.6
171.10274	10.1
201.11317	5.0
277.21689	22.7
279.23328	100.0
279.25940	3.5
295.22800	30.4
297.24515	3.4
304.26468	2.7
313.24127	3.8
463.43600	3.0
575.47052	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10022	4.3
57.11252	4.5
57.11557	5.4
82.47844	4.8
92.22524	8.4
136.11194	6.1
154.72350	5.5
171.10313	6.0
179.80257	5.7
201.11504	8.0
277.21786	9.2
279.23328	100.0
295.22839	33.2
295.35583	6.7
302.59796	5.9
385.35791	6.2
524.97931	7.5
575.47198	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63615	1.1
54.81243	1.0
55.48474	1.0
56.11124	1.1
57.93830	1.2
61.98829	3.0
91.05073	1.3
97.69293	1.2
100.84631	1.5
105.40466	1.5
110.53524	1.2
117.54774	1.3
119.62836	1.3
249.55264	1.5
250.05087	1.6
252.06781	1.3
262.05212	1.9
265.03836	2.7
279.05206	1.9
280.06198	17.3
292.06473	2.1
293.03375	1.8
294.04123	12.6
294.07715	8.0
295.08508	9.2
308.05679	38.2
309.06421	15.1
323.07977	22.9
324.08801	100.0
502.14975	2.6
532.16089	26.0
576.15179	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49636	1.3
55.01874	1.8
59.01385	2.9
59.45789	1.3
61.61072	1.5
65.03950	2.3
70.06583	1.6
71.01374	3.7
71.67389	1.4
73.02947	10.3
81.03462	2.9
83.01433	1.5
83.05009	14.3
83.57927	1.6
87.00866	40.7
93.03444	100.0
95.26123	1.7
99.04525	1.6
101.02436	2.7
109.02978	1.7
111.04504	22.7
137.02432	35.9
137.95132	1.9
150.88783	1.7
155.03534	15.3
173.02394	2.3
173.04549	15.2
184.93526	1.5
188.04872	11.5
203.07169	8.1
243.05128	9.2
289.05124	2.4
290.08340	2.2
300.06586	7.1
304.07516	2.0
316.06244	23.3
318.07843	19.5
328.06183	13.8
332.09491	2.3
333.10132	11.6
343.08252	3.4
346.07156	22.4
346.10919	16.4
348.12357	2.6
353.23386	1.6
358.10809	2.8
361.09662	6.6
376.12003	6.0
392.11374	2.1
420.10928	36.4
471.49060	2.2
516.29102	10.5
532.16199	9.5
576.15247	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	6.6
76.75861	2.8
78.95902	79.9
92.22524	4.1
96.95971	3.0
96.96965	4.0
100.93353	3.4
109.10598	2.6
115.92052	21.5
116.92876	15.4
178.88321	3.6
179.89230	26.6
180.90005	18.6
181.90802	4.6
192.46770	2.9
196.54346	3.0
196.89500	27.6
467.15097	4.1
497.12546	3.1
538.85004	3.2
576.20471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.2
60.75571	2.4
61.02151	2.5
61.98833	4.8
72.38585	2.4
76.77082	2.4
78.95899	62.9
92.22543	2.9
99.92581	9.9
101.66954	2.5
114.94917	4.3
115.92068	12.3
116.92827	3.0
137.09508	2.6
141.96014	11.5
143.94275	2.5
152.99571	68.4
164.90506	4.7
171.13927	11.7
172.14218	3.9
178.88370	5.4
179.89211	21.6
180.90028	4.7
181.90805	5.8
196.89484	35.3
205.57942	2.9
205.90721	3.0
205.93233	3.4
235.91908	13.3
236.32539	2.6
279.23297	24.4
379.28659	3.0
512.68213	3.2
540.18616	3.8
558.19342	14.9
576.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46237	1.2
61.98824	15.8
76.52825	1.4
78.95460	2.6
78.95899	66.4
91.27389	1.2
96.95976	1.7
96.96941	10.2
98.95558	1.3
99.92600	1.4
100.93359	7.6
101.59638	1.4
115.92085	16.0
116.92850	16.7
118.60841	1.5
150.97977	1.6
164.90643	3.7
171.00621	2.6
172.95354	1.8
178.88440	3.3
179.89207	20.1
180.89987	17.8
181.90721	5.3
181.94986	1.4
196.89502	32.1
201.09233	1.6
205.90935	2.5
205.93159	5.8
230.24944	1.5
236.92651	2.7
352.87927	1.4
402.23962	1.6
407.45911	1.4
467.14783	1.5
485.16467	4.6
558.19354	6.0
561.77783	1.7
576.20374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2246
Annotation	(1S,3aS)-1-[(2S)-butan-2-yl]-7-hydroxy-1,3a,5-trimethyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside
Peak:m/z	Relative Intensity
60.06188	0.9
61.18398	1.1
61.98818	1.8
64.59077	1.0
75.12277	1.3
79.12894	1.1
91.24802	1.2
92.24131	1.1
95.99743	1.0
146.81892	1.3
150.39090	1.2
314.08224	1.8
328.06100	2.7
332.09308	2.5
342.07669	4.3
343.08499	7.5
344.09213	1.5
349.40570	1.5
356.09286	25.2
384.12375	2.0
388.11917	2.0
438.69284	1.2
440.18628	1.8
456.18433	1.6
466.16721	4.3
470.19705	2.5
474.19348	1.7
482.19681	2.6
484.17288	9.9
488.20844	2.1
498.19296	2.0
499.19824	7.0
500.20975	7.9
502.18570	11.7
514.22168	2.6
516.20380	11.9
517.21118	7.0
532.23462	69.1
576.22382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45568	0.3
55.45972	0.3
59.01383	0.6
61.98832	100.0
62.74883	0.3
64.30323	0.3
69.85258	0.3
71.43416	0.3
75.83851	0.3
91.08995	0.3
104.48810	0.3
104.99211	0.3
113.02441	1.7
122.86311	0.3
136.55934	0.3
139.08461	0.3
144.75041	0.3
146.82700	0.3
148.19106	0.3
192.24178	0.3
210.66042	0.3
256.23834	0.5
474.05301	0.4
585.79999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89865	0.4
56.01611	0.4
61.98832	100.0
73.04549	0.4
79.04076	0.5
84.75081	0.5
99.71443	0.5
151.03351	0.5
155.05272	0.5
214.56999	0.5
227.96747	0.5
277.21762	0.8
278.22089	2.7
279.22406	1.1
353.24942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63455	0.4
59.01366	0.5
61.98832	100.0
78.95896	0.4
124.15694	0.4
141.11044	0.5
277.21820	2.1
278.22058	3.2
279.22488	0.7
280.04694	0.5
402.44330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13576	1.0
59.01381	11.9
60.26419	0.8
61.90277	0.8
61.98830	1.2
62.94378	0.9
67.49172	0.8
68.15329	0.9
78.49265	1.1
78.95927	2.2
83.64115	1.0
92.23042	1.3
107.33844	1.2
116.92836	5.1
134.73929	1.1
214.34163	1.1
224.06927	2.0
250.77380	1.1
272.76688	1.3
277.21744	100.0
464.13760	1.2
502.29443	64.4
505.99078	1.3
576.33038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30357	0.6
57.20337	0.7
59.01378	17.8
60.54819	0.7
73.51315	0.7
78.95899	14.6
97.89463	0.8
98.53018	0.8
106.82426	0.7
110.22097	0.7
112.61799	0.9
114.54247	0.7
152.99590	4.8
168.04312	4.7
187.70784	0.9
224.06934	11.9
242.07933	3.2
243.14290	0.9
277.21729	99.4
430.64783	0.9
502.29462	100.0
557.94672	1.0
576.32916	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39441	0.6
59.01375	2.9
64.58380	0.6
69.77404	0.5
71.01366	0.8
71.07341	0.6
72.99297	14.8
82.66065	0.6
85.06584	2.5
88.98789	2.7
89.02440	2.8
101.02475	1.1
113.02434	1.0
115.03972	0.9
121.02928	1.3
131.07132	14.0
151.04002	6.1
155.01726	35.4
167.01707	13.0
183.01201	2.7
191.05623	11.5
211.00723	16.4
229.01756	100.0
271.03110	2.4
290.23141	0.7
294.10889	0.8
316.02533	0.7
349.42221	0.6
373.05975	3.0
391.07034	3.8
440.13306	0.7
489.10858	10.6
577.12360	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39441	0.6
59.01375	2.9
64.58380	0.6
69.77404	0.5
71.01366	0.8
71.07341	0.6
72.99297	14.8
82.66065	0.6
85.06584	2.5
88.98789	2.7
89.02440	2.8
101.02475	1.1
113.02434	1.0
115.03972	0.9
121.02928	1.3
131.07132	14.0
151.04002	6.1
155.01726	35.4
167.01707	13.0
183.01201	2.7
191.05623	11.5
211.00723	16.4
229.01756	100.0
271.03110	2.4
290.23141	0.7
294.10889	0.8
316.02533	0.7
349.42221	0.6
373.05975	3.0
391.07034	3.8
440.13306	0.7
489.10858	10.6
577.12360	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16692	0.5
59.01373	1.5
60.99305	1.1
71.01365	0.7
72.99302	17.1
86.06236	0.5
88.98807	9.0
89.02448	0.8
93.03441	0.9
101.02422	0.8
115.03989	3.1
121.02923	2.2
136.34343	0.6
151.04036	5.4
154.31238	0.6
155.01733	35.6
155.03009	1.2
167.01724	12.0
183.01260	1.0
191.05644	9.6
211.00729	17.4
229.01768	100.0
271.02896	1.3
287.09262	2.8
323.21704	0.7
367.10110	0.7
373.06070	2.2
391.07196	4.4
489.10742	11.6
577.12433	78.6
581.06708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53714	0.6
59.01381	1.1
60.78262	0.7
61.63985	0.6
69.03455	13.1
71.01385	6.8
72.99300	0.8
85.02940	1.3
87.00872	1.9
97.02941	24.0
101.96081	0.7
111.00822	0.8
115.00372	4.2
129.01900	1.1
141.01939	7.3
170.10384	0.8
191.05557	1.6
203.01997	100.0
203.09357	1.4
237.53925	0.8
271.75687	0.8
499.22183	1.0
525.41815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28638	0.6
56.42225	0.7
59.01376	4.1
61.83490	0.6
67.49009	0.6
71.01382	3.4
71.04797	0.6
71.68719	0.6
74.08348	0.7
78.68277	0.8
85.02953	3.9
89.02492	0.9
93.03460	3.6
101.02431	1.6
102.57970	0.7
108.02184	1.2
111.44671	0.9
113.02444	100.0
119.05022	5.6
121.92014	0.8
143.07008	0.8
145.02956	1.7
149.04863	1.2
149.06068	30.3
149.07191	1.3
162.25246	0.8
163.03979	7.2
163.07587	0.9
175.03979	3.7
176.04733	4.9
177.05582	48.4
191.07137	1.6
202.02708	1.3
203.03519	3.7
211.13367	0.9
217.05045	0.8
219.06636	8.3
239.12892	0.8
245.04530	5.7
269.04315	0.9
275.47250	0.8
343.08310	1.0
361.09290	3.8
403.10306	1.8
427.59045	0.9
463.12564	54.2
533.30212	1.0
557.91968	0.9
577.16278	4.2
577.32312	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
62.40988	0.2
65.33099	0.2
71.01385	0.5
87.00870	0.4
101.02431	0.3
113.02400	0.3
181.92068	0.2
186.73976	0.2
190.98729	0.3
225.05675	0.3
238.23141	0.2
257.83865	0.3
268.03711	2.3
269.04584	100.0
270.44370	0.3
311.05838	0.4
356.88806	0.3
414.88403	0.3
517.29230	0.3
577.15668	16.6
577.29224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07345	0.4
59.01368	1.8
63.38945	0.4
70.98428	0.5
71.01365	0.9
85.02934	3.0
87.00868	0.6
87.92617	0.5
89.02406	0.8
93.03470	0.9
101.02448	0.9
103.42545	0.4
110.50580	0.4
113.02440	0.7
127.04003	0.9
134.03743	4.2
136.13011	0.4
143.03508	0.6
149.06044	0.8
151.59450	0.4
160.01649	1.0
167.99075	0.5
173.04471	0.7
175.03943	4.7
191.05617	100.0
193.05113	7.6
204.37370	0.5
469.07004	0.5
517.15613	8.1
577.18341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07345	0.4
59.01368	1.8
63.38945	0.4
70.98428	0.5
71.01365	0.9
85.02934	3.0
87.00868	0.6
87.92617	0.5
89.02406	0.8
93.03470	0.9
101.02448	0.9
103.42545	0.4
110.50580	0.4
113.02440	0.7
127.04003	0.9
134.03743	4.2
136.13011	0.4
143.03508	0.6
149.06044	0.8
151.59450	0.4
160.01649	1.0
167.99075	0.5
173.04471	0.7
175.03943	4.7
191.05617	100.0
193.05113	7.6
204.37370	0.5
469.07004	0.5
517.15613	8.1
577.18341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
67.66706	0.3
71.01374	2.3
72.99294	3.8
73.02943	1.7
85.02954	0.7
88.98785	0.7
89.02429	3.2
90.56595	0.4
91.45082	0.4
99.00866	0.9
101.02471	3.0
111.00858	1.8
113.02436	1.4
116.92834	0.4
119.03490	0.8
119.05010	5.8
120.18388	0.3
134.03729	0.6
135.04524	16.8
153.05582	0.6
161.04547	2.2
163.04005	30.0
172.37460	0.4
175.03983	2.0
178.02637	0.4
179.07092	0.6
181.05072	100.0
191.03520	0.6
191.07159	1.4
193.05077	3.2
197.04559	0.8
203.08221	0.7
206.05821	5.8
221.08203	13.9
235.06158	3.3
263.05954	0.5
263.11423	0.7
265.07178	5.9
278.08075	0.5
295.08182	4.8
311.11307	0.8
323.82846	0.5
355.10403	18.6
395.15616	20.6
427.12650	1.7
517.15710	0.6
577.20447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.7
71.01378	2.5
74.79566	1.1
101.02428	4.4
108.02184	2.6
123.04496	6.0
124.05746	1.2
134.03790	11.0
147.04518	2.4
149.02438	1.1
149.06197	1.4
160.01639	13.1
161.02444	1.9
161.04605	1.3
175.04024	21.2
177.01952	2.9
179.07083	2.2
193.05112	11.1
267.06671	5.3
281.08087	1.4
285.11426	2.6
286.11703	1.1
298.08377	2.5
309.07877	1.8
340.09543	38.8
355.11905	100.0
379.72870	1.5
577.19116	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16628	0.5
58.89373	0.5
59.01378	1.3
62.66209	0.6
71.01364	3.6
73.02942	1.4
85.02950	1.2
95.12050	0.6
99.00872	0.8
101.02429	3.6
113.02428	3.3
117.03455	5.5
134.03737	90.3
149.06079	12.6
160.01680	7.7
161.04555	2.6
163.98177	0.6
175.03990	11.0
178.02711	2.9
185.07227	9.8
186.19078	0.6
193.05061	100.0
211.72299	0.6
242.09409	5.7
269.10251	1.1
309.56863	0.6
371.15173	1.1
383.13684	1.2
415.14270	8.3
523.22296	0.7
577.19318	33.9
577.28442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.5
64.27438	0.9
67.24585	0.8
71.01381	10.4
83.05037	1.0
85.02980	3.6
85.04189	1.0
89.02430	9.9
93.03457	9.9
99.00874	4.2
101.02422	8.0
113.02421	6.2
117.03493	1.2
119.03526	1.9
119.05014	66.7
119.83098	1.0
137.02434	30.8
145.02936	25.4
163.04012	100.0
173.04507	1.8
191.05655	5.9
296.66589	1.1
318.31467	1.2
355.76541	1.1
410.31226	1.1
413.14749	1.8
431.15656	1.3
446.39871	1.1
465.14316	1.0
517.30310	12.3
577.19415	48.9
577.31207	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1937
Annotation	Osmanthuside I
Peak:m/z	Relative Intensity
59.01384	16.6
61.98827	0.6
64.05125	0.6
71.01381	8.8
73.02944	3.0
84.44913	0.6
85.02956	3.5
87.00842	0.9
88.98799	0.8
89.02435	8.3
99.00880	3.3
101.02450	7.0
113.02419	5.8
115.03983	0.9
117.03439	3.5
119.03562	2.6
119.05020	67.6
125.09694	1.2
127.04015	0.7
145.02943	24.9
161.04608	0.7
163.04010	100.0
173.04549	0.7
187.09845	2.6
191.05640	1.5
192.11539	0.7
360.81055	0.8
375.03024	0.6
413.14444	1.5
481.73022	0.9
517.30682	5.6
541.19049	1.0
544.78265	0.7
577.19403	47.0
577.32031	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60036	0.7
59.01384	1.6
61.98838	1.2
62.98431	0.9
67.86653	0.8
71.01380	1.4
72.96664	0.9
89.02444	1.4
96.95996	1.2
101.02438	1.5
138.78479	0.9
156.65910	1.0
164.01189	4.4
164.04807	2.2
165.01917	4.4
175.00298	1.3
190.02742	18.3
205.05083	28.1
209.04674	1.0
223.06096	1.5
225.09265	6.9
227.07152	1.5
229.02010	1.0
265.20737	0.9
269.08224	100.0
311.09448	1.2
366.44733	0.9
410.48627	1.0
577.19238	45.8
577.26868	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.61115	1.1
71.01388	9.5
73.02938	12.9
74.03075	1.2
89.02438	15.7
99.38765	1.2
101.02438	23.0
103.04011	13.0
115.04003	7.0
119.03489	2.5
125.02412	1.2
130.30392	1.1
131.03461	9.1
143.03481	9.9
145.05103	3.8
163.06129	29.1
194.23036	1.3
205.07161	11.7
242.22485	1.2
265.09256	7.8
290.06064	1.6
291.06702	2.5
292.07480	2.3
294.08939	2.6
295.06146	11.0
306.09048	13.7
307.06180	32.9
310.08472	29.2
322.08432	27.3
325.10873	52.9
337.10849	76.4
355.11896	10.1
517.26520	24.6
577.19128	5.0
577.28601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1937
Annotation	Dracunculifoside O
Peak:m/z	Relative Intensity
57.71423	1.1
59.01384	28.8
64.17168	1.1
64.28551	1.2
71.01380	22.7
73.02939	2.4
75.00867	1.8
85.02921	3.8
89.02441	11.9
92.23148	1.2
99.00873	13.5
101.02452	10.6
113.02464	9.2
113.03125	1.1
119.03497	1.1
133.02943	5.2
134.03714	2.2
135.04527	95.6
136.66808	1.2
143.07126	1.8
158.88034	1.1
161.02449	52.6
161.04498	2.4
179.01923	2.5
179.03510	77.3
190.06339	1.6
191.05566	4.6
197.11832	1.2
205.05075	2.2
221.34755	1.2
222.83630	1.5
268.03763	23.2
283.06140	52.9
301.01154	1.2
325.10831	7.0
328.13162	1.1
361.16544	2.0
473.22873	1.2
505.20847	9.6
517.30432	14.0
577.19342	100.0
577.28601	7.2
577.32904	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53477	0.5
59.03437	0.5
72.99303	48.5
89.77261	0.5
104.66022	0.4
105.93866	0.4
109.02968	0.9
121.96503	0.5
123.04514	20.1
130.65062	0.5
134.03677	0.7
135.03481	0.9
135.04521	26.3
151.03967	0.9
165.30173	0.4
179.03502	50.5
197.04565	100.0
268.73532	0.6
313.63919	0.6
323.92215	0.5
359.61749	0.6
375.03619	0.5
387.32547	0.5
422.34351	0.6
467.28235	0.5
556.74097	0.5
577.21350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.8
59.01386	7.4
66.41701	0.9
71.01376	36.7
72.89543	0.9
73.02949	14.6
73.17160	0.8
75.00880	0.9
83.01408	2.3
85.02953	18.1
89.02436	1.8
93.63338	1.1
95.01389	4.2
99.00876	5.1
101.02437	22.6
101.17538	1.0
106.04244	6.0
107.05026	66.0
113.02444	19.4
121.02991	2.4
143.03436	1.1
151.04007	100.0
158.27814	1.0
159.02979	4.3
161.04576	23.1
173.04466	1.4
191.05650	1.9
313.09348	56.7
396.60571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
65.51965	0.3
71.01366	1.6
72.99298	4.0
78.79729	0.4
83.01399	0.5
85.02955	0.5
89.02441	1.6
99.00897	0.4
101.02435	2.3
113.02431	1.0
119.05003	6.2
135.04530	14.3
160.47276	0.5
161.04549	0.6
163.04019	29.7
171.43507	0.4
181.05077	100.0
193.05153	0.7
197.04610	0.5
203.08272	3.2
206.05907	1.6
207.09419	0.4
221.08202	3.7
263.11441	1.0
265.07257	1.7
295.08221	0.7
355.10413	6.1
395.15649	15.8
505.11981	0.5
530.34979	0.6
577.20837	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02202	0.7
57.03444	0.9
59.01111	1.1
59.01385	26.0
71.01011	1.3
71.01381	24.3
73.02946	4.0
83.01361	1.1
85.02948	5.7
87.00872	0.9
89.02441	27.0
95.01357	0.8
98.83533	0.8
99.00903	0.9
101.02441	12.3
113.02448	12.1
119.03485	11.1
123.04483	1.1
133.05042	1.6
136.81767	0.9
140.93565	0.8
161.04544	5.4
164.04800	6.5
179.05690	5.8
179.07135	100.0
192.44130	0.9
197.04507	1.4
235.08194	1.7
268.98291	0.8
287.64673	1.1
415.16129	44.3
440.17529	1.1
577.21484	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17877	0.5
56.98861	0.4
58.13908	0.5
59.01382	0.7
61.51398	0.5
66.42972	0.5
70.64651	0.5
72.99303	48.4
76.80658	0.5
123.04512	20.6
126.90661	0.6
131.12892	0.6
135.04526	25.3
135.05511	1.3
142.66069	0.7
151.04054	0.9
179.01906	1.3
179.03497	43.5
197.04561	100.0
207.58817	0.7
319.29102	0.7
357.61511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71961	0.2
59.01363	0.2
72.99303	2.8
89.02444	0.2
93.03437	0.2
107.05004	0.3
112.05939	0.2
117.56592	0.2
119.05024	5.9
127.09507	0.2
130.19705	0.2
135.04524	13.8
151.04021	0.3
153.01939	0.2
163.04012	27.2
181.05075	100.0
223.18031	0.2
257.22678	0.2
297.11938	1.0
415.12546	0.4
577.21863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53983	0.7
72.99306	45.8
80.90225	0.6
91.03310	0.7
91.81590	0.6
95.52459	0.5
96.60395	0.5
109.02915	0.7
121.60699	0.6
123.04519	18.4
135.04527	26.4
151.03995	1.1
179.03513	44.9
197.04575	100.0
215.05627	0.8
249.59035	0.8
274.33621	0.7
350.36481	0.7
577.21716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15508	0.7
71.01376	1.5
73.02934	1.2
78.98589	1.8
79.28628	0.8
79.95731	1.5
80.96514	23.1
87.00863	1.8
94.98078	6.9
97.02943	0.8
101.02448	1.8
122.97594	1.3
125.02471	0.9
134.97556	0.9
147.04478	1.6
148.99127	3.6
149.02446	9.9
152.98611	4.8
164.04797	42.8
164.98648	8.0
179.07115	4.7
206.99699	1.7
223.06140	89.2
225.00777	13.8
277.21661	1.4
299.04544	1.2
303.01913	1.3
353.17929	7.0
371.18555	1.3
413.64349	0.8
577.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91130	0.4
59.01375	2.4
62.41599	0.4
71.01376	2.1
73.02966	0.4
75.14267	0.4
78.44729	0.4
85.02936	4.5
87.00887	0.7
89.02430	0.9
93.03448	2.5
98.02457	1.0
101.02444	1.1
115.03965	0.5
125.41804	0.5
127.03988	0.7
131.58951	0.5
135.04506	0.6
161.48737	0.5
173.04575	1.1
179.03552	1.1
191.05627	100.0
233.23486	0.5
360.97534	0.5
361.14011	0.8
577.14764	1.3
577.22607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42746	0.2
56.47106	0.3
56.96382	0.3
59.01377	1.5
60.37882	0.2
61.34227	0.2
66.91205	0.3
71.01382	0.6
75.24490	0.3
75.37486	0.2
76.45430	0.2
85.02950	2.7
87.00844	0.4
89.02438	0.4
93.03455	0.6
99.00883	0.4
101.02421	0.5
102.52772	0.3
104.97487	0.3
105.01953	0.3
106.33049	0.3
111.04537	0.3
115.00356	0.6
127.03985	0.7
131.60176	0.3
133.01442	1.3
135.01860	0.4
147.04533	1.2
150.49783	0.3
160.24883	0.3
161.02487	0.4
167.03513	0.3
179.03511	0.6
191.05627	100.0
200.68475	0.3
276.84299	0.3
292.46613	0.3
294.15753	0.3
343.43579	0.3
441.13962	1.1
577.21289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.27855	0.4
63.31723	0.4
63.59694	0.5
71.01370	0.7
72.99281	0.6
73.44684	0.5
85.02937	3.6
87.00875	0.5
89.02443	2.0
93.03432	0.6
113.02435	0.5
113.64548	0.5
118.11347	0.5
119.03522	0.7
138.05722	0.5
152.81009	0.5
185.66797	0.5
186.11401	1.0
191.05630	100.0
224.14885	0.6
577.19720	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04766	0.7
53.55232	0.8
54.19505	0.8
59.01390	13.7
71.01357	5.7
75.00854	3.6
84.55543	0.8
84.94835	0.9
85.02925	1.3
89.02412	5.1
91.07841	1.0
93.03425	1.1
101.02424	4.5
108.65707	1.0
111.00833	4.5
113.02428	4.1
119.03430	0.9
122.51852	1.0
124.62663	1.1
149.02383	3.9
163.04012	3.8
164.04825	8.2
171.10202	1.8
175.00308	5.8
190.02728	53.6
191.03514	1.4
205.05077	88.0
207.02855	1.2
207.06563	1.1
208.03703	1.1
209.04443	3.8
223.06076	7.6
251.05412	1.1
469.95728	1.0
491.28543	3.7
501.31607	1.1
518.25079	1.3
533.29700	9.2
547.21820	2.3
577.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.20409	0.4
64.35600	0.4
71.01383	5.1
73.02957	0.8
78.98585	4.1
79.95708	3.3
80.96513	42.9
81.03456	1.0
85.02932	2.2
86.80686	0.4
87.00884	2.2
91.96201	0.5
92.23040	0.5
94.98090	11.9
97.02934	1.8
101.02432	3.0
106.98094	1.9
122.97575	4.2
125.02460	4.0
127.04008	0.8
134.97578	3.4
136.99126	1.1
148.99139	7.4
152.98643	9.5
162.43016	0.5
164.98624	16.9
169.04376	0.4
181.43202	0.4
182.99667	3.9
206.99690	4.7
225.00758	24.9
243.01808	2.9
249.67462	0.5
277.21725	3.8
299.04547	4.2
317.05487	0.7
477.11249	0.6
577.26978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88591	0.4
54.39315	0.4
67.31412	0.6
71.01391	4.8
72.24654	0.5
73.02937	1.1
78.98604	3.2
79.95759	4.3
80.96517	43.6
85.02952	1.5
87.00870	1.4
87.30415	0.6
94.98085	13.6
96.90475	0.6
97.02940	1.0
101.02420	1.4
106.98067	2.6
122.97559	2.4
123.54148	0.6
125.02428	3.1
134.97614	4.9
136.99184	1.5
148.99139	7.4
152.93005	0.6
152.98654	7.9
164.98651	17.3
188.98711	0.7
206.99727	4.0
225.00778	23.7
277.21750	2.8
299.04510	3.7
577.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77729	0.4
52.98612	0.4
53.87594	0.4
55.72021	0.5
58.46660	0.4
59.01375	0.7
59.20886	0.4
71.01379	4.8
73.02947	1.8
78.98581	5.2
79.95712	3.8
80.96511	44.3
81.03462	0.7
85.02940	2.9
87.00861	2.8
91.04007	0.5
94.98074	13.9
97.02971	0.9
101.02437	3.0
106.98064	3.3
122.97579	3.7
125.02462	3.8
127.03999	0.8
134.97597	4.9
136.99144	2.0
148.99156	6.8
152.98605	6.8
152.99687	0.6
164.98615	13.5
167.87317	0.6
203.69406	0.4
206.99654	3.9
225.00752	20.9
277.21716	2.2
299.04520	4.8
358.59177	0.5
393.52673	0.6
577.26941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53527	0.4
59.01376	0.4
63.48824	0.4
71.01371	3.2
73.02944	0.8
75.86750	0.4
78.98586	4.9
79.95745	3.0
80.96513	35.5
85.02944	2.1
87.00874	1.7
94.98084	10.0
96.96017	0.4
97.02941	0.8
101.02436	1.7
106.98071	2.5
122.97556	2.7
124.49462	0.4
125.02457	2.9
134.97560	3.6
136.99132	2.2
148.99153	5.8
152.98647	6.6
154.75438	0.4
164.98628	13.7
169.50294	0.4
172.25964	0.4
188.98683	0.5
206.99654	3.5
225.00763	19.9
263.38553	0.4
277.21652	1.9
299.04608	3.8
394.63550	0.5
577.26978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18210	1.2
58.29951	1.3
59.01383	100.0
71.01373	20.6
72.99313	2.7
73.02949	31.7
85.02944	11.4
87.00874	3.0
89.02436	20.7
93.35961	1.9
101.02428	46.1
103.04008	24.0
115.04012	15.4
119.03499	10.0
125.02421	1.9
125.09051	1.6
131.03500	13.6
138.65936	1.8
143.03479	24.7
145.05084	3.0
163.06133	60.8
187.23929	1.8
205.07191	21.2
265.09296	14.3
295.06134	2.4
306.09039	3.8
307.06116	9.5
310.08542	14.0
322.08499	12.4
325.10873	24.2
337.10852	31.6
355.11719	2.4
517.26434	50.3
523.64349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2879
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01907	1.1
57.03440	1.6
59.01107	2.1
59.01384	52.5
71.01378	51.7
73.02950	16.9
75.00854	1.5
83.01380	5.5
85.02946	20.9
87.00881	2.2
89.02435	26.8
95.01403	3.1
98.43685	1.6
99.00869	3.2
101.02440	39.9
103.68777	1.3
113.02460	24.8
119.03496	8.2
121.02924	1.2
131.03474	1.5
143.03348	1.6
159.02951	2.5
161.04578	5.0
179.05553	1.8
190.02783	3.0
191.05531	2.0
205.05042	3.2
209.08171	1.4
355.19199	1.3
415.23425	10.9
415.28470	1.4
416.31577	1.4
431.68497	1.3
499.28897	1.7
517.30359	48.7
577.28754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.303
Annotation	Oscillatoxin A
Peak:m/z	Relative Intensity
59.01369	6.3
74.85748	1.3
78.95908	9.7
87.24300	1.2
95.19911	1.3
96.96937	1.9
108.02171	50.6
109.02944	37.0
152.01144	75.2
152.99585	12.3
153.01929	32.6
169.02509	1.3
185.08095	1.7
255.23299	13.2
279.23276	6.0
281.24796	8.3
339.76810	1.6
517.26282	2.7
517.34583	1.7
573.07483	1.8
577.30157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	48.0
106.45872	24.0
166.02382	18.8
252.30814	21.3
342.49124	20.7
577.31293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
59.27702	5.9
78.95902	100.0
125.09707	14.5
132.44328	7.4
152.99599	43.8
178.47337	8.5
183.13768	8.1
187.09793	17.3
216.87202	7.7
279.23248	13.8
281.24179	11.5
289.43643	7.4
357.95242	7.1
491.67618	9.0
504.18097	10.9
577.31586	67.6
577.40961	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36641	6.1
59.01397	26.1
60.14951	6.4
69.30559	7.3
74.02453	7.5
79.98339	6.9
82.69723	7.2
85.53553	6.3
104.92228	5.9
111.90331	8.1
142.75296	7.7
171.10358	8.8
253.56525	8.0
255.23370	8.4
265.17996	8.0
279.23114	8.0
281.24957	56.2
311.22263	10.6
358.18900	8.3
358.61880	7.1
368.39075	7.1
514.14819	8.5
577.31354	100.0
577.40979	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57386	8.9
55.32437	7.1
59.01383	8.4
61.97202	9.5
61.98823	9.4
74.65481	8.9
81.69540	7.8
92.22436	11.4
100.19254	8.2
119.86616	8.2
126.26922	8.8
173.71703	10.9
241.36282	10.3
281.24878	66.0
525.35199	10.0
577.31830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.6
61.98848	6.9
62.57486	6.9
67.10957	7.6
71.01385	14.3
80.70963	6.8
80.96499	17.5
126.14413	8.3
225.00833	12.0
231.64029	7.7
265.67957	7.6
330.41434	8.9
524.84900	8.6
577.19421	25.3
577.31116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67613	4.7
55.28492	5.4
56.70956	5.3
61.59595	5.0
61.98846	5.4
65.96381	4.6
67.37714	4.8
72.66876	5.3
88.07893	5.3
104.00033	5.8
140.36684	5.7
173.24927	6.0
186.80948	5.7
199.75891	7.2
258.32388	6.3
279.07654	5.6
281.25201	6.9
422.88492	7.1
490.18616	6.9
577.31042	100.0
577.37885	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3234
Annotation	1-NBD-decanoyl-2-decanoyl-sn-Glycerol
Peak:m/z	Relative Intensity
50.09428	0.4
56.26693	0.5
59.01383	55.3
71.01375	6.9
73.02945	2.4
76.64204	0.6
83.01381	1.3
85.02953	4.0
89.02439	3.7
99.00877	1.2
101.02457	7.6
106.48367	0.7
113.02451	4.8
119.03512	1.2
122.93954	0.7
159.02911	0.6
171.13837	0.7
178.99113	0.6
181.59715	0.6
277.21732	2.5
295.22824	0.8
316.36087	0.6
439.27206	0.8
457.28174	0.7
502.94894	0.7
577.32428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3241
Annotation	1-NBD-decanoyl-2-decanoyl-sn-Glycerol
Peak:m/z	Relative Intensity
50.22929	0.7
59.01384	50.6
71.01382	20.5
71.32877	0.8
73.02950	5.2
78.71964	0.8
79.63962	0.8
80.53108	0.7
83.01387	1.4
85.02958	6.2
87.00851	1.4
89.02438	20.9
99.04424	0.8
101.02431	20.8
105.01923	10.1
109.06611	1.4
113.02432	15.1
119.03503	6.6
131.03500	0.9
143.98009	0.9
149.04533	0.9
161.04558	1.3
180.39635	0.8
192.63179	0.7
236.30762	0.8
257.17557	1.6
269.04666	1.0
273.60431	1.0
286.18130	0.8
346.94669	0.8
355.25165	1.0
445.92413	1.0
447.69687	0.9
517.30688	6.3
577.32428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90593	0.2
60.25679	0.3
77.17089	0.3
82.77168	0.3
85.57498	0.4
86.40782	0.3
94.38501	0.3
104.41168	0.3
135.04521	0.3
135.64378	0.3
143.03125	0.3
152.60666	0.3
169.20189	0.3
190.85109	0.4
202.47308	0.3
207.76250	0.3
255.23302	1.3
258.89905	0.3
279.23306	100.0
415.28583	31.0
577.33868	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3391
Annotation	Gagunin G
Peak:m/z	Relative Intensity
51.41381	0.6
57.03449	1.1
59.01382	38.9
61.98821	0.8
71.01389	1.6
85.02936	4.6
89.02428	0.8
90.74504	0.8
98.03740	1.0
99.44323	0.8
101.02464	1.5
111.00845	0.9
112.01662	3.8
113.02461	3.9
116.04795	1.0
124.52246	0.8
130.02730	3.1
135.04358	0.8
221.28746	0.9
249.15225	0.9
270.94293	0.9
329.81122	0.8
455.31735	6.6
485.33072	1.1
515.33752	1.4
529.32056	4.4
547.32739	8.3
559.32629	1.4
577.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3391
Annotation	Gagunin G
Peak:m/z	Relative Intensity
57.03450	1.2
59.01381	41.9
67.21854	0.5
68.09072	0.6
71.01384	3.8
71.84232	0.6
72.10687	0.6
74.23264	0.6
75.36389	0.6
84.49783	0.7
85.02962	3.6
87.00858	0.8
87.04508	0.9
89.02429	0.9
89.93204	0.7
89.93728	0.6
99.04531	0.9
101.02412	5.0
111.00850	1.5
112.01663	1.3
112.37420	0.6
113.02423	2.7
114.00365	0.6
116.04794	1.4
130.02692	1.2
244.53909	0.7
401.27176	1.5
413.26804	0.9
427.28708	0.9
455.31906	4.4
515.33966	1.4
527.58435	0.9
529.32074	3.9
547.33197	9.0
559.32709	1.5
577.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
61.98825	1.5
63.82317	0.7
71.01382	3.0
78.95862	0.9
89.02438	1.8
91.54654	0.8
101.02449	3.9
113.02400	1.3
138.17226	0.8
161.04544	0.9
171.10252	1.1
223.77319	0.9
253.09319	11.0
254.64827	0.8
255.23331	25.0
279.10727	1.1
281.24875	100.0
316.48895	0.8
480.07608	0.8
517.34106	8.7
537.23071	0.8
577.41058	3.9
591.25989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35851	0.4
59.01107	0.5
59.01386	9.7
71.01366	2.4
73.02941	1.0
74.77332	0.5
85.02947	0.6
87.00879	0.7
89.02437	2.6
91.40263	0.5
101.02435	3.2
103.99433	0.5
113.02426	1.9
119.03481	0.6
135.04517	2.5
152.99660	0.8
153.05634	0.5
159.10263	1.9
161.04529	0.6
179.05667	0.5
253.09363	6.8
255.23409	1.0
271.22821	1.2
279.23407	1.2
281.24884	100.0
293.24960	0.6
315.10977	1.9
344.26132	0.6
517.34021	5.2
529.67902	0.5
577.34100	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64743	0.3
52.52749	0.3
55.61786	0.3
59.01096	0.5
59.01378	6.6
59.88094	0.3
66.28676	0.3
70.44472	0.3
71.01371	0.8
72.73982	0.3
78.95919	0.4
86.00032	0.3
89.02446	2.1
92.74203	0.3
101.02438	2.9
113.02443	1.4
119.03436	0.5
161.04541	0.6
172.89684	0.4
189.89330	0.3
222.06703	0.4
226.07776	0.3
235.08308	0.7
253.09346	8.3
255.09901	0.4
281.24884	100.0
461.09119	0.4
517.33868	5.8
577.35486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58059	1.2
59.01385	13.2
61.98832	1.8
66.09264	1.1
93.05891	1.3
125.15977	1.3
191.04742	1.4
195.30110	1.3
226.05443	1.3
255.23320	100.0
281.24878	7.8
338.09406	1.6
517.33960	6.2
552.90363	1.5
566.52887	1.6
577.40350	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	6.9
71.05037	1.4
92.22515	1.6
95.73113	1.0
123.08170	2.1
125.09695	4.6
127.50292	1.2
135.80681	1.1
151.11299	2.5
153.12828	1.6
161.09727	6.7
179.10774	17.9
197.11844	81.9
223.09808	1.8
241.10812	7.0
253.72845	1.1
262.68399	1.3
279.23306	67.5
305.96881	1.1
315.14423	3.9
577.37506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67620	1.5
58.92815	1.4
63.41043	1.4
65.03451	1.3
67.28336	1.3
76.64243	1.6
106.43071	1.6
133.02933	9.1
134.03743	3.6
160.01660	11.2
161.02448	13.8
167.22127	1.8
175.04001	69.4
177.01939	1.9
178.02744	2.5
193.05066	7.5
211.49634	1.8
227.70650	1.8
327.29135	12.4
334.86166	1.6
401.26984	2.0
431.14233	1.8
471.31027	9.7
485.32788	8.6
503.33902	21.9
562.34723	2.8
577.28198	3.7
577.37537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34256	3.1
52.89925	2.8
54.04329	2.9
62.93294	2.9
70.17171	3.5
73.24503	3.3
86.90669	3.4
113.39413	3.3
120.66019	3.2
160.01636	3.4
161.02441	17.2
175.04013	59.7
194.83119	3.4
197.11865	13.1
279.23245	17.6
332.35519	4.0
471.31277	6.2
503.33612	14.3
577.37524	100.0
598.29553	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4252
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
51.60111	0.9
52.69194	1.0
55.39276	0.9
56.64308	1.0
59.01382	1.6
60.49999	1.0
62.14189	1.1
78.95905	2.0
79.18632	1.2
105.66322	1.2
131.76781	1.3
138.92418	1.2
149.98268	1.2
152.99591	3.0
153.15219	1.3
175.91629	1.2
185.11870	4.8
219.47324	1.5
255.23187	9.6
259.20834	1.4
277.21756	100.0
384.49734	1.6
391.46045	1.4
403.60965	1.4
577.42682	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65286	1.4
67.86906	1.2
71.21530	1.2
74.77537	1.3
114.45620	1.3
118.71386	1.7
225.01617	1.7
253.21754	100.0
279.23193	6.4
297.24390	5.6
315.77261	1.9
577.48322	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28916	1.0
52.68087	1.3
54.15539	1.4
59.01376	7.0
62.62538	1.2
62.90609	1.4
71.01385	1.4
73.16301	1.5
83.52133	1.5
87.00873	100.0
87.76714	1.4
89.02451	2.7
93.03454	21.0
101.02445	1.5
111.04512	18.4
125.81396	1.4
135.83075	1.5
137.02460	15.7
155.03568	4.7
170.49884	1.4
243.05081	24.0
320.09290	2.2
335.11603	5.8
407.54645	1.5
422.12622	10.5
518.30609	3.2
553.89355	2.0
578.16754	31.8
578.26855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43463	1.1
62.97420	1.1
71.01379	5.7
71.46786	1.2
72.00900	2.9
72.99316	16.2
84.04508	2.2
85.90134	1.4
87.97343	1.3
88.04020	2.4
96.00907	75.4
96.04556	2.2
96.99287	2.3
102.05592	11.9
103.29862	1.4
114.01952	6.4
114.05531	1.4
123.04525	1.3
127.07536	1.4
135.04529	2.3
156.06674	2.0
158.04584	27.6
179.03511	15.1
182.04587	53.2
197.04564	49.4
200.05630	13.9
218.06711	100.0
331.60803	1.2
359.09891	35.7
498.68814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78434	2.5
60.65285	2.1
61.98847	5.4
65.02067	2.1
86.00040	2.8
100.41241	2.8
111.70936	2.6
136.04057	13.1
136.05200	3.2
173.02379	3.2
188.03500	5.0
190.05098	47.4
213.05627	17.4
227.07185	4.3
230.09473	4.8
245.11850	15.6
248.51459	2.5
251.10800	2.9
269.11801	4.3
281.29120	2.6
305.76761	2.7
328.13052	29.6
343.15656	33.0
375.06808	3.5
376.13275	2.7
516.20374	5.5
534.21436	100.0
578.20380	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14938	0.7
54.95815	0.8
55.05649	0.7
63.43673	0.8
64.01943	0.7
71.01373	1.8
72.99307	29.1
88.04041	7.8
96.00887	1.0
113.02467	0.8
123.04483	5.3
124.99270	0.7
133.48396	0.7
135.04518	7.7
145.22639	0.9
146.08249	6.9
151.04013	1.0
179.03506	35.1
182.04579	1.3
184.13637	0.7
197.04567	100.0
218.06725	2.6
218.10324	4.7
359.09875	67.8
380.15515	6.6
556.02551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12213	0.7
69.33681	0.7
70.30637	0.8
71.01376	1.7
72.99306	29.0
88.04037	4.9
88.31477	0.7
88.83080	0.9
93.29128	0.8
95.96357	0.8
96.00912	17.2
96.99321	1.3
100.09156	0.9
102.05595	3.9
112.62296	0.7
114.01972	1.5
123.04520	5.1
123.47748	0.8
135.04526	7.0
146.08241	3.4
148.77228	0.9
158.04555	6.8
179.03496	29.1
182.04567	12.9
197.04570	100.0
200.05704	3.5
218.06702	26.1
218.10291	4.4
326.32474	0.9
359.09903	65.6
396.93588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86815	0.6
56.52800	0.7
57.26424	0.7
58.52865	0.7
58.93319	0.6
71.75453	0.8
72.99306	27.3
88.04057	6.2
123.04562	6.2
124.32391	0.9
135.04541	5.9
146.08234	1.7
162.05617	7.9
179.03510	34.9
197.04575	100.0
218.10384	5.7
258.14621	0.8
359.09879	80.6
371.71967	0.8
578.22198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13495	2.0
75.61873	1.8
92.38332	2.0
115.33916	2.0
125.06078	4.8
130.08717	20.1
169.05043	3.2
172.09721	15.6
216.05138	100.0
243.50070	2.3
313.47079	2.6
516.58960	2.2
574.84827	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75153	1.4
62.72967	1.5
65.18309	1.5
85.09621	1.7
99.00895	2.0
125.06044	8.3
130.64737	1.8
169.05109	7.1
216.05139	100.0
228.45540	1.7
245.24771	1.6
277.09686	1.6
338.80524	1.9
501.26440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.2
61.64397	2.0
61.98841	4.1
71.01377	18.6
73.02966	2.2
75.96949	2.2
78.87920	2.1
85.02943	10.6
87.00858	2.8
89.02441	14.5
97.02933	12.8
99.00850	3.9
101.02418	16.4
113.02434	11.1
115.04011	53.7
125.06090	16.8
133.73889	2.2
142.07587	2.2
143.50432	2.3
169.05072	10.6
180.87833	2.6
187.09717	5.5
191.05640	2.7
263.11481	25.6
281.12390	5.0
433.16562	3.5
454.20486	3.3
531.20782	26.4
578.20972	100.0
578.29401	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98834	100.0
64.62437	0.6
67.38306	0.4
82.95406	0.4
86.51985	0.5
279.23453	1.2
280.23550	4.5
281.24075	2.5
282.24341	1.0
377.35693	0.6
578.38574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27338	0.4
52.34933	0.4
54.16332	0.4
61.98832	100.0
71.51497	0.4
72.77814	0.5
92.22494	0.6
164.86098	0.5
279.23282	0.7
280.23676	1.3
281.24081	0.7
282.24240	0.7
405.12137	0.6
538.87628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10460	0.7
59.65723	0.6
61.98832	100.0
76.69389	0.7
161.43668	0.8
196.17935	0.8
472.93353	1.0
530.88739	0.8
548.11053	0.9
549.05115	0.9
578.40521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13143	0.6
58.49450	0.6
61.98832	100.0
70.30254	0.5
75.00874	5.4
77.32506	0.5
79.68542	0.5
80.02985	0.5
84.33916	0.6
99.34588	0.5
113.66598	0.6
115.80471	0.6
131.03186	0.6
181.23788	0.5
256.23462	0.6
257.23724	0.7
344.21695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.8
65.01023	0.4
67.70083	0.5
69.92088	0.4
78.95909	2.5
99.27573	0.4
105.83034	0.4
108.85777	0.4
110.90669	0.4
152.99582	1.1
158.95689	0.5
168.04306	1.1
189.65175	0.6
224.07033	0.9
242.08066	2.0
279.23322	100.0
291.49756	0.5
346.09167	0.5
385.38928	0.6
389.29623	0.6
504.31070	49.6
578.34625	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.5
62.60439	0.5
78.95901	7.4
84.39316	0.5
152.99554	2.7
168.04356	3.8
224.06976	9.3
225.70778	0.6
229.42703	0.5
242.07954	1.4
248.26979	0.6
279.23322	100.0
287.10071	0.6
288.11118	0.6
371.51657	0.7
378.89502	0.5
388.33704	0.7
396.70734	0.6
495.91302	0.7
504.31070	65.8
533.20782	0.6
578.34619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1299
Annotation	4',7,7''-Tri-O-methylamentoflavone
Peak:m/z	Relative Intensity
63.53980	1.4
70.27351	1.2
75.11447	1.6
77.69503	1.2
78.95911	2.9
79.01873	2.0
125.09769	1.7
125.33737	1.5
131.23424	1.5
135.04529	2.1
135.05663	1.2
148.12798	1.3
152.99606	5.5
162.25880	1.4
179.03484	10.2
253.05046	1.9
255.23335	8.6
256.23715	2.3
283.06039	2.8
306.45151	1.6
325.08560	2.6
327.10110	1.8
353.08209	2.1
369.07755	6.8
398.07837	7.0
399.08752	100.0
463.50241	1.4
542.30652	1.6
579.13068	39.2
579.34320	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1305
Annotation	4',7,7''-Tri-O-methylamentoflavone
Peak:m/z	Relative Intensity
55.05424	0.4
59.09273	0.4
73.04936	0.6
78.95903	13.5
79.13636	0.5
85.94666	0.5
92.22538	0.6
106.77392	0.6
121.08499	0.5
125.09711	0.9
152.99580	3.6
179.08713	0.6
183.04428	4.7
187.09726	2.7
195.08199	4.0
204.40404	0.6
211.03999	3.1
211.07579	1.0
214.77975	0.6
223.04042	1.3
223.07643	5.9
227.07143	1.2
239.03560	3.6
239.07126	4.8
240.04207	1.1
252.04286	12.8
255.06653	2.2
255.23343	6.8
267.06631	4.0
268.03806	25.0
280.03851	5.5
283.06140	100.0
295.06143	38.6
295.09546	0.7
380.00308	0.7
427.52490	0.7
579.13025	56.8
579.32776	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85645	0.3
59.01390	0.5
83.10470	0.3
92.65367	0.3
101.89207	0.4
105.60322	0.4
133.71526	0.3
145.79474	0.3
148.88077	0.3
151.00356	2.2
163.00394	0.4
191.05617	2.0
212.91727	0.3
213.05585	0.4
227.03505	7.8
229.05090	2.1
243.33211	0.4
255.03008	25.3
256.03827	4.5
257.04672	3.3
283.02515	0.7
284.03287	100.0
285.04065	24.9
579.13617	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87722	0.5
62.64846	0.5
62.90367	0.5
67.01891	0.7
68.99710	0.6
70.45560	0.5
75.81752	0.6
84.64320	0.7
85.02956	1.1
87.00869	0.7
93.03449	1.1
107.05062	0.8
123.04504	15.1
137.06113	2.2
148.47910	0.7
161.02480	1.3
166.02809	1.1
179.03493	0.7
181.05063	32.5
191.05629	100.0
225.04082	14.3
353.08850	26.5
537.15717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1364
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.24233	0.3
59.01381	1.3
59.05658	0.3
62.91594	0.3
84.10664	0.3
89.02457	0.4
89.84351	0.3
92.41827	0.3
101.02447	0.4
107.52912	0.3
151.00339	1.8
158.38977	0.3
158.68623	0.4
163.00339	0.4
169.01523	0.3
191.05669	2.6
205.79987	0.3
227.03493	8.9
229.05009	2.0
239.03529	0.4
255.02991	27.0
256.03748	3.2
257.04581	2.6
283.02420	0.6
284.03287	100.0
285.04062	26.0
579.13635	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	1.2
112.94630	1.0
123.04530	18.0
161.02473	1.1
176.69333	1.2
181.05061	32.4
191.05632	100.0
217.08656	1.5
225.04108	12.7
353.08832	24.2
415.19974	1.0
542.22345	0.9
550.34601	1.0
579.16925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
72.65755	1.1
73.35560	1.0
74.01669	1.2
83.60519	1.3
86.35256	1.3
87.00872	2.1
94.46134	1.1
103.92165	1.1
116.32385	1.3
134.24193	1.1
161.05666	1.2
173.22203	1.3
188.84064	1.1
189.69148	1.4
191.05640	10.8
195.01524	6.0
206.71848	1.2
213.02538	2.5
227.80879	1.1
231.03616	63.9
237.06207	1.9
247.01045	1.5
271.64633	1.1
273.04703	7.6
283.02997	1.7
287.02676	4.5
289.02423	10.5
298.15540	1.6
299.06311	6.3
301.04208	19.5
309.04697	5.4
325.04248	1.6
327.05704	20.3
344.99115	2.2
351.05750	2.6
369.06662	13.6
387.00085	6.2
387.07864	100.0
405.08960	79.4
405.14407	2.6
421.06671	2.4
481.08890	5.9
579.07196	3.5
579.14331	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83831	1.2
59.01382	100.0
62.24431	1.4
72.99300	14.8
82.76242	1.2
85.15589	1.4
95.99590	1.3
98.14951	1.1
103.00364	42.5
103.04011	6.4
109.62524	1.3
120.99637	12.9
123.04551	2.5
131.01622	1.5
133.05061	61.2
135.04527	5.2
167.57962	1.6
175.06082	20.5
179.03468	20.3
191.05611	5.4
197.04568	55.4
198.04816	1.8
219.03265	2.7
219.05139	7.1
236.69797	1.4
245.68806	1.5
359.09937	43.0
360.10233	1.7
432.34949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34466	1.0
55.21970	1.0
59.01380	100.0
72.99282	11.0
75.00117	1.1
87.00819	1.9
97.36749	1.2
103.00375	41.9
103.04006	5.8
114.96343	1.2
123.04519	2.6
133.05067	61.9
170.12482	1.3
175.06107	19.3
179.03455	10.8
197.04547	34.6
218.96800	1.3
219.05133	7.6
263.19867	1.3
291.06351	1.5
359.09848	27.9
567.26575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.08846	1.8
67.55386	1.3
67.82932	1.3
69.25906	1.2
72.99292	11.0
78.95888	2.1
103.00368	34.8
103.04031	6.4
112.63901	1.3
114.39082	1.5
129.01942	17.0
133.05066	70.1
135.04535	2.5
140.45187	1.4
175.06154	16.3
179.03526	10.8
188.70593	1.6
197.04564	32.4
198.97180	1.6
219.05139	17.1
223.45097	1.5
359.09897	17.2
372.18210	1.5
502.47589	1.7
532.52606	1.8
551.68488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01380	100.0
69.99902	0.9
70.60939	0.9
71.01376	1.8
71.35738	0.8
71.36191	0.9
72.99298	12.1
73.30486	0.9
80.22681	1.0
85.02964	1.1
89.02446	2.0
91.96742	0.9
92.05671	1.0
101.02423	2.2
103.00365	33.3
103.04012	7.0
113.02445	0.9
119.03471	1.6
120.99624	1.0
123.04524	1.0
133.05058	61.6
133.06067	2.0
135.04497	2.0
160.01468	0.9
170.58446	0.9
175.06125	21.4
179.03476	15.3
197.04556	34.5
219.02974	1.8
219.04950	8.5
266.14532	1.0
279.10892	10.5
317.81769	1.1
359.09921	25.7
363.67090	1.1
437.48511	0.9
481.24701	1.1
579.13446	1.3
598.39520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1669
Annotation	Albafuran C
Peak:m/z	Relative Intensity
55.77662	1.4
59.45372	1.5
72.34300	1.8
75.76485	1.6
77.66516	1.6
78.95902	9.6
99.14921	1.7
152.99571	3.5
153.28288	1.7
162.11156	1.8
165.01958	2.3
225.05724	2.4
253.05107	8.3
254.05949	2.2
255.23392	8.7
269.08212	100.0
281.08255	3.0
282.05371	42.3
297.07660	45.0
493.57370	2.0
579.16791	43.5
579.33240	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02921	0.9
63.90021	0.9
73.65595	1.0
78.95905	53.2
96.96027	1.3
96.96951	1.3
120.67116	1.0
125.09747	5.3
152.99594	12.9
165.02013	1.3
177.01913	10.5
187.09715	9.8
225.05695	6.4
225.09265	1.5
227.07185	2.0
239.07265	4.5
251.20236	5.3
253.05057	10.5
254.05998	6.8
255.23271	23.8
269.08212	100.0
281.08237	25.3
281.11050	1.4
282.05374	46.3
283.06287	14.7
283.09845	3.9
295.06339	6.2
297.07690	43.3
309.07846	1.9
579.16943	53.8
579.33020	38.3
579.42413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
58.13195	0.9
59.01382	13.9
62.13811	0.9
71.01375	14.6
72.99302	99.6
73.02956	7.5
73.03363	0.9
75.00871	1.1
83.01351	1.3
85.02944	4.9
85.10642	0.9
89.02446	9.5
99.00861	1.5
99.34909	1.1
101.02441	18.2
107.04951	1.3
113.02442	8.6
119.03462	1.8
123.04515	43.8
125.02436	1.8
129.77638	1.2
131.03450	1.3
134.03665	1.3
135.04527	53.5
151.03998	1.5
159.03049	1.3
161.04543	11.8
164.04762	1.1
168.85741	1.1
178.02800	1.3
179.03506	84.6
181.05095	2.2
197.04567	100.0
211.06100	6.9
217.12282	2.2
223.06198	2.2
259.46301	1.1
265.07205	1.7
274.15686	1.4
275.16559	2.5
298.42355	1.1
315.18134	11.8
333.59766	1.3
367.10693	1.3
387.11148	1.2
400.75818	1.2
417.15756	4.2
426.62231	1.4
447.22476	6.2
463.16431	1.6
579.17279	85.4
579.26398	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71363	0.9
55.01868	1.3
55.37033	1.1
59.01385	20.9
71.01376	26.0
72.99305	100.0
73.02938	10.2
75.00874	1.1
76.24081	1.2
83.01399	1.6
83.52824	1.4
85.02953	10.6
88.98759	1.7
89.02438	15.7
90.96526	1.0
92.22477	1.8
99.00882	7.1
101.02447	30.5
101.88870	1.2
109.02957	1.7
113.02420	15.6
119.03558	2.3
123.03638	2.1
123.04514	46.8
125.02415	2.2
135.04523	54.2
143.03539	2.2
151.04062	1.8
159.02930	2.5
161.04553	26.7
164.04826	6.2
166.02736	1.9
179.03510	84.0
179.06961	1.7
181.05116	5.5
193.05070	1.5
197.04564	93.2
211.06091	8.5
223.06181	1.2
252.54192	1.3
275.16373	1.3
315.18268	17.5
372.19501	1.7
387.10754	2.1
417.15506	11.1
447.22491	10.5
463.15952	2.6
579.17273	99.3
579.26581	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1731
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
59.01394	2.5
65.00332	1.6
71.01395	1.5
83.01402	2.0
85.02965	0.9
89.02470	0.6
93.03436	4.3
99.00896	0.4
101.02458	0.9
107.01393	4.7
112.14999	0.4
113.02480	1.6
119.05016	19.9
125.02480	1.8
127.88459	0.5
129.02017	0.5
145.02983	1.7
149.02534	0.6
151.00369	59.3
161.02509	0.6
165.01967	3.7
169.01454	0.6
175.00337	5.1
177.01900	4.5
179.03519	0.7
187.03992	0.8
193.01497	2.6
193.05145	0.6
208.03864	0.5
219.03055	0.5
227.07143	2.7
249.89020	0.5
269.04541	4.2
270.04816	3.3
271.06161	100.0
285.07700	0.7
295.06149	2.3
313.07126	1.0
519.28387	2.8
579.17255	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89882	0.7
53.51033	0.7
59.01382	3.8
65.67570	0.8
68.44982	0.9
71.01386	1.3
72.57082	0.8
84.91491	0.8
85.02931	4.6
89.02464	1.2
90.98594	0.9
96.95997	1.6
103.51677	0.9
110.98433	0.8
113.02445	100.0
119.05017	0.9
125.02420	1.2
137.02425	3.7
145.02948	2.2
151.00380	2.3
152.04886	1.1
165.58626	1.0
166.02716	30.3
167.03416	1.0
171.10310	0.9
177.01799	1.0
178.02769	1.6
181.05074	72.9
191.05740	1.2
193.05017	2.2
206.05681	1.5
223.06207	1.1
239.90753	1.1
261.46829	0.9
300.02991	1.0
307.08362	3.8
338.39365	1.0
343.21255	2.1
387.10873	17.8
402.13367	7.4
417.15628	75.0
421.11575	4.4
579.30920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01101	1.6
59.01382	27.1
64.01121	0.8
66.46452	0.8
71.01366	8.4
73.02946	4.5
85.02938	2.0
87.00858	1.2
89.02441	8.9
97.42222	0.9
99.00788	1.1
101.02435	12.7
103.03999	1.5
108.02170	6.5
113.02405	1.9
115.03986	1.5
119.03481	3.6
123.00880	1.2
123.04501	3.7
131.03519	1.8
133.20085	1.0
134.03717	1.0
135.04482	0.9
136.01634	1.1
137.06068	1.4
143.03502	4.8
149.02446	8.2
150.03244	14.2
153.05591	1.3
163.04018	1.4
163.06075	8.0
164.04785	21.2
165.05547	4.3
175.00394	1.3
175.80501	1.0
176.01186	1.5
178.02718	75.0
179.07118	4.9
181.05101	1.9
190.02777	11.7
191.03500	7.3
191.07124	1.1
193.05072	80.7
194.02090	1.2
195.03523	0.9
205.05109	23.8
205.07086	3.0
206.05838	15.7
207.06668	1.9
208.03760	7.9
209.04552	6.3
221.08206	19.1
222.05356	1.3
223.06140	33.8
235.06078	1.6
237.07675	4.7
250.04926	6.6
251.05785	2.0
265.07138	26.7
265.09589	1.6
283.06161	1.1
287.09381	1.1
295.08347	7.5
309.07706	1.7
311.07791	4.4
324.09857	1.5
325.09222	7.9
327.12323	4.6
339.12488	4.6
341.06631	1.2
371.09674	1.4
385.11301	8.4
463.03442	1.2
478.38556	1.0
519.28149	20.4
579.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01378	1.4
75.00881	0.6
76.55633	0.7
78.95905	0.8
85.02954	1.4
86.02276	0.7
87.00865	100.0
90.47226	0.7
92.05024	0.6
98.86510	0.7
126.14126	0.7
129.01930	21.5
133.05124	1.1
219.05138	2.9
233.04510	0.8
237.06160	68.0
247.54306	0.8
549.06171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76990	0.5
57.03447	1.2
59.01385	8.3
72.99306	0.9
78.95899	1.0
85.02953	2.5
87.00867	100.0
103.00369	3.2
110.76154	0.6
129.01932	19.2
133.05060	4.5
175.06107	1.1
179.03491	0.8
181.73424	0.6
185.84737	0.6
197.04604	2.5
219.05141	3.9
237.06172	57.6
243.59128	0.6
359.09863	2.4
532.28589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82739	0.5
52.32615	0.6
57.49390	0.5
59.01365	0.7
60.57321	0.5
78.95905	0.7
85.02925	1.0
87.00871	100.0
96.96994	0.7
129.01930	15.6
170.56937	0.7
219.05203	2.5
237.06183	60.4
281.68472	0.6
532.31079	0.8
532.40967	0.6
546.32239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1883
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
51.69507	1.3
58.90189	1.3
59.01376	3.2
61.04145	1.3
68.99805	8.3
78.95898	6.5
108.02158	9.8
109.02974	2.2
123.00894	3.5
123.04512	19.9
138.03265	2.3
147.04663	1.8
150.03214	10.3
161.02477	3.6
162.03241	3.3
163.04007	8.8
175.04044	1.7
177.05551	30.9
178.02719	37.5
190.06256	1.7
193.05061	39.3
218.05792	1.9
222.05331	2.5
300.33820	1.6
307.06277	3.2
321.07739	20.8
322.08527	3.4
324.06680	2.1
325.07220	16.4
336.10114	10.1
337.07269	19.6
339.08752	6.7
340.09445	19.9
352.09464	6.9
354.11154	2.5
355.11880	15.9
367.11981	6.6
460.46249	1.7
519.17108	1.9
549.17542	1.8
579.18762	100.0
579.28607	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.8
71.37415	0.8
78.95906	50.1
85.96760	0.9
90.57491	0.9
96.96951	1.0
99.41387	0.9
99.92569	16.6
100.93343	4.3
103.00364	14.5
108.73750	0.9
114.94910	5.7
115.92069	5.4
116.92853	100.0
125.09718	6.8
152.99579	14.6
158.93922	29.1
184.91808	1.5
187.09734	10.0
202.92899	4.1
207.52747	1.0
255.23331	46.2
277.21753	1.2
311.37100	1.1
377.14200	2.1
475.17972	9.1
501.40332	1.0
519.35315	1.1
579.19061	41.8
579.33142	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94653	0.3
59.46321	0.3
63.58848	0.3
71.01363	0.5
94.36942	0.4
108.02176	1.7
109.02946	49.6
118.43551	0.4
119.03553	0.4
127.05068	0.4
151.03975	0.5
153.01936	100.0
161.11986	0.4
191.05598	0.5
195.81761	0.4
265.11832	0.7
313.08966	0.4
378.30820	0.4
410.69504	0.4
425.16849	1.4
459.78799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.7
71.01014	1.4
71.01376	26.5
72.99290	2.1
84.90295	0.8
85.02940	2.3
89.02438	48.6
95.01313	1.1
101.02445	28.0
103.68954	1.1
113.02444	16.6
119.03495	23.2
127.34812	1.0
131.03452	2.0
137.02464	7.6
169.01501	1.0
179.03603	1.8
191.05743	1.5
195.01515	1.1
197.04599	6.7
279.10883	100.0
367.30533	1.1
435.97009	1.0
579.18384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.7
71.01014	1.4
71.01376	26.5
72.99290	2.1
84.90295	0.8
85.02940	2.3
89.02438	48.6
95.01313	1.1
101.02445	28.0
103.68954	1.1
113.02444	16.6
119.03495	23.2
127.34812	1.0
131.03452	2.0
137.02464	7.6
169.01501	1.0
179.03603	1.8
191.05743	1.5
195.01515	1.1
197.04599	6.7
279.10883	100.0
367.30533	1.1
435.97009	1.0
579.18384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94653	0.3
59.46321	0.3
63.58848	0.3
71.01363	0.5
94.36942	0.4
108.02176	1.7
109.02946	49.6
118.43551	0.4
119.03553	0.4
127.05068	0.4
151.03975	0.5
153.01936	100.0
161.11986	0.4
191.05598	0.5
195.81761	0.4
265.11832	0.7
313.08966	0.4
378.30820	0.4
410.69504	0.4
425.16849	1.4
459.78799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
64.35640	0.7
70.48035	0.7
71.89839	0.6
72.99316	1.3
96.96982	3.3
107.95414	0.7
108.02110	1.1
109.02190	1.5
109.02945	50.4
153.01935	100.0
163.04022	1.6
181.05005	5.4
182.05399	1.4
191.05634	1.5
224.75847	0.7
238.12238	0.8
258.68701	0.8
425.16397	0.9
603.19824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.23676	1.0
77.51923	1.0
107.26549	1.1
139.72153	1.2
175.69954	1.1
190.06364	1.7
223.48831	1.2
283.59622	1.3
294.09018	2.9
297.07693	6.7
308.10556	2.4
309.07709	20.8
309.11328	10.1
312.10056	24.5
323.09061	2.1
324.10101	27.4
327.12402	64.7
339.12442	54.8
357.13385	6.5
559.48328	1.4
579.21545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17762	0.5
56.03601	0.6
59.01384	1.5
62.65318	0.6
63.47987	0.6
71.01369	0.7
91.68169	0.6
113.02438	0.7
137.02438	3.5
151.00371	2.5
152.04813	4.3
166.02721	39.9
166.04141	1.3
167.03462	1.0
169.41031	0.7
173.40085	0.6
179.03467	0.6
181.05084	80.9
192.04320	0.8
193.04964	1.2
205.08708	1.1
341.43677	0.7
344.16135	0.7
359.11475	0.8
387.10916	24.3
402.13318	12.9
417.15628	100.0
498.08109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59235	4.1
52.63231	5.3
55.44801	4.5
59.01380	28.8
66.80240	4.9
67.75060	5.7
87.20605	5.0
89.02418	5.7
93.03455	5.2
101.02406	9.4
113.02439	6.0
132.82994	5.0
136.01675	24.7
151.04012	87.6
173.04704	6.9
191.05579	11.9
193.05098	5.7
199.91042	4.8
294.49643	5.7
296.10449	5.2
342.11026	25.7
355.75861	5.5
357.13495	100.0
401.19266	5.7
417.15744	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78317	1.3
58.60398	1.4
59.01367	7.0
71.01379	3.3
72.99334	2.6
75.00882	2.7
80.13314	1.3
81.31949	1.4
85.02948	3.3
87.00858	62.8
89.02452	3.1
94.71780	1.3
101.02442	3.7
102.07215	1.4
113.02447	1.8
137.02438	6.7
145.08685	2.7
164.04767	9.0
166.02702	17.7
167.03476	2.4
179.03545	6.3
179.07123	10.8
179.34364	1.6
181.05064	91.4
205.04982	1.9
205.08728	2.0
217.89021	1.6
223.06056	1.9
230.54576	1.7
353.75418	2.1
357.22382	1.5
387.10855	2.3
402.13251	3.3
402.58997	1.4
403.29645	1.5
409.76218	1.7
417.15652	15.6
461.14532	29.6
463.16400	2.1
463.25885	2.0
466.59296	1.7
476.17096	14.2
481.26633	2.2
491.19250	30.6
519.31433	2.5
533.84552	1.6
578.96924	2.0
579.20953	100.0
579.30176	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13268	0.6
59.01384	26.0
60.56082	0.6
61.83434	0.8
71.01372	3.7
83.66580	0.7
85.02945	1.5
89.02441	1.7
97.56475	0.7
101.02445	3.3
101.94628	0.7
102.36841	0.8
113.02454	3.0
125.34597	0.7
126.55470	0.7
136.01651	17.9
136.02625	1.1
137.02444	0.9
142.49971	0.8
151.04004	86.0
160.42853	0.8
161.04564	2.0
166.02672	1.0
181.05156	1.8
229.20694	0.8
250.05473	0.9
342.11127	27.6
357.13477	100.0
399.65009	0.9
417.15598	4.6
579.30414	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2092
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
59.01384	3.7
61.28721	0.6
68.23021	0.7
71.01377	3.3
72.99286	0.7
73.02946	1.0
74.38377	0.5
75.00888	0.9
87.00864	3.2
89.02440	2.6
101.02426	3.4
113.02435	1.3
113.47118	0.6
118.44421	0.7
135.04549	0.9
137.02446	1.6
138.67488	0.7
151.00380	2.8
152.04788	3.8
161.04541	1.0
166.02711	34.0
177.01897	0.8
181.05075	79.5
190.06390	1.1
205.08624	1.2
207.06621	0.9
262.91577	0.7
264.03171	0.7
351.10184	0.7
387.10892	22.2
397.61243	0.7
402.13272	10.8
417.15610	100.0
461.14417	1.5
491.18649	0.8
519.27789	2.8
579.21136	4.8
579.31445	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72285	0.8
59.01385	100.0
70.75977	0.8
71.01367	1.0
96.28074	1.0
101.02464	1.3
111.59406	1.0
117.16036	1.0
147.04546	1.1
161.04549	4.0
164.04794	1.8
167.83366	0.9
177.05547	9.3
189.76875	0.9
192.07961	9.4
200.72792	0.9
233.67851	1.0
235.00746	1.0
312.10052	15.5
322.98508	1.0
327.12411	73.1
357.13461	11.5
504.55066	1.3
579.20746	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	98.4
62.40417	1.7
71.01379	52.2
80.12164	1.6
85.02940	8.7
87.00884	2.1
89.02433	100.0
95.01372	3.9
101.02435	32.4
113.02435	24.0
119.03500	37.1
131.03505	2.4
143.03497	10.6
161.04564	10.2
179.05611	47.6
212.65758	2.3
294.09033	11.2
324.10086	7.6
326.37445	1.9
339.12433	11.6
519.18939	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.8
59.48313	0.8
66.79828	0.8
71.01385	13.3
72.36185	0.8
73.02943	4.5
83.01418	1.3
85.02937	6.3
89.02437	9.6
94.86431	1.0
95.01405	1.0
96.96009	2.2
98.62215	1.0
101.02431	11.9
113.02423	7.8
119.03480	1.8
122.03677	0.9
129.80579	1.0
134.03555	0.9
136.01663	24.0
137.02435	5.5
150.03154	1.0
151.04004	96.4
161.04555	2.4
166.02687	6.4
175.07654	1.8
177.05640	1.4
181.05048	15.5
193.05144	1.2
236.10606	1.1
296.10635	1.6
297.11292	5.6
342.11099	16.2
357.13470	100.0
387.10620	10.1
402.12888	1.8
417.15698	22.2
465.78793	1.1
470.13824	1.0
481.26642	3.5
579.20435	5.9
579.30286	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2095
Annotation	Briarlide B
Peak:m/z	Relative Intensity
51.93910	1.0
57.03460	1.6
59.01386	100.0
63.88957	1.1
71.01379	28.7
73.02949	6.4
78.27950	1.2
83.01397	5.8
83.33936	1.2
85.02954	14.9
89.02440	11.0
95.01350	1.6
99.00912	2.7
101.02437	20.8
113.02450	13.8
119.03513	2.0
140.43690	1.2
161.04555	18.6
167.98479	1.4
181.69896	1.2
217.43285	1.5
243.85489	1.4
309.11255	1.8
410.17194	1.6
410.23560	1.4
519.18823	77.8
579.30359	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.1
66.47300	0.9
71.01383	5.1
78.46242	0.9
87.48415	0.9
89.02426	5.4
94.98026	1.3
96.96017	4.1
101.02371	2.7
113.02373	1.4
119.03506	1.3
136.04037	1.4
149.02431	5.9
149.56940	1.2
150.03214	5.4
162.03305	0.9
164.04799	11.3
175.00320	1.8
176.01123	14.5
179.07204	1.1
190.02718	36.6
190.05289	1.3
191.03519	29.0
191.05194	2.0
194.02216	1.3
199.35742	1.1
205.05072	56.2
206.05807	3.4
209.04539	3.5
221.08223	6.8
223.06172	14.1
237.07635	1.7
265.07166	10.6
419.34207	1.0
459.81271	1.3
579.24597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2453
Annotation	Hydrangenoside E
Peak:m/z	Relative Intensity
59.01382	36.4
61.33551	1.2
61.98834	1.5
62.20872	1.2
64.70103	1.3
71.01375	23.4
71.42944	1.3
72.99290	3.6
73.02921	3.2
78.18262	1.3
78.95924	1.7
79.69284	1.4
84.44766	1.3
85.02943	2.8
89.02443	19.4
95.01374	1.7
101.02443	22.0
107.95632	1.4
113.02421	11.6
118.97373	1.3
119.03467	7.9
161.04472	1.3
172.05208	1.8
174.06837	2.6
179.03508	2.0
187.07590	1.7
189.09148	2.2
198.06761	1.6
199.07681	1.9
214.06421	1.6
216.07933	2.2
248.77713	1.6
257.15427	6.0
267.13867	6.6
269.15338	7.3
279.13837	1.7
299.12811	8.6
309.18478	2.3
327.19592	8.9
337.18161	6.4
345.20712	7.9
353.17505	1.6
355.19144	12.3
367.19193	1.5
373.20193	5.6
385.20200	16.6
507.25848	6.9
517.24286	6.0
533.24017	2.7
535.25116	12.4
561.23328	29.7
579.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64862	1.4
59.01363	11.4
61.02022	1.6
71.01364	8.0
73.02935	3.5
78.05019	2.0
78.95893	3.3
83.01395	2.6
85.02949	2.9
87.00871	1.6
89.02434	3.2
97.02952	11.8
101.02423	7.5
106.83070	1.8
113.02456	11.9
114.03204	3.8
135.04514	4.2
164.04703	2.4
188.08429	5.9
190.10008	24.9
203.10797	38.9
242.13019	10.2
243.13686	2.7
244.14577	7.0
255.13950	3.3
256.14548	3.7
286.12262	11.7
296.17776	9.9
299.20175	3.0
304.13022	10.5
305.12302	1.7
310.19275	2.8
311.20193	19.6
328.20435	2.0
329.20905	2.9
355.19043	8.3
373.20157	9.0
399.18109	3.8
417.19150	8.1
535.25574	24.6
579.24170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93212	2.0
55.71152	1.6
56.24094	2.1
59.37037	2.0
61.98823	2.1
70.81419	1.9
73.10172	1.9
73.72879	1.9
78.95901	12.0
91.43262	2.1
95.94730	2.1
151.57042	2.2
176.42859	2.2
225.11305	2.6
229.83908	2.9
255.23366	4.3
277.21799	4.3
279.23282	3.5
283.26419	4.4
365.12531	2.5
419.22287	2.5
432.23288	34.5
433.23972	19.9
447.25607	74.2
457.24033	9.5
460.22723	33.0
475.25092	52.2
488.22440	10.0
492.25555	5.1
503.24557	9.5
519.23907	2.6
535.26776	3.0
547.23578	100.0
579.25903	16.1
579.39886	14.9
604.40881	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42871	0.6
52.01624	0.7
57.03436	1.0
59.01379	100.0
63.30960	0.7
66.30500	0.7
71.01374	16.0
73.02921	5.6
73.36668	0.7
80.17521	0.7
80.19421	0.7
80.91891	0.8
81.82740	0.8
83.01372	2.9
85.02950	7.1
86.46687	0.8
89.01907	1.3
89.02425	13.3
96.96011	3.4
101.02436	20.0
108.79345	0.8
113.02446	9.2
119.03511	4.5
121.89606	0.8
174.87840	0.8
175.14830	0.9
190.06494	0.9
204.33803	0.9
213.71422	0.9
221.06708	1.0
294.08862	1.8
297.07706	5.1
309.07709	14.4
309.11383	6.4
312.10071	19.0
323.09216	1.1
324.10056	21.6
327.12408	46.8
339.12405	46.4
357.13452	4.5
399.20264	33.7
579.26746	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86394	0.6
55.95578	0.6
57.56188	0.7
59.01381	14.3
69.25751	0.7
70.01897	0.6
71.01379	21.3
72.99306	27.3
73.02945	11.8
75.00887	1.1
83.01392	1.5
85.02933	6.1
85.74815	0.6
87.00878	1.5
89.02425	12.0
95.01360	1.0
97.02943	3.0
99.00860	6.8
101.02441	24.9
113.02446	13.1
115.04029	1.4
119.03475	1.2
123.04504	14.2
125.02425	3.3
129.01959	0.8
131.03499	1.2
135.04526	17.6
143.03453	2.9
145.69904	0.8
159.03009	4.3
161.04544	22.2
164.04756	1.1
177.34346	0.7
179.03506	20.7
181.05095	1.4
181.26338	0.7
197.04567	34.1
211.06052	3.3
233.06703	1.0
315.18188	21.8
387.11090	1.1
417.15445	4.0
447.22333	14.4
579.17401	25.1
579.26642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99733	0.3
53.03237	0.4
53.80158	0.3
59.01378	0.8
77.18783	0.3
85.02944	2.9
85.18842	0.3
87.00860	0.5
92.23133	0.4
93.03479	0.6
94.12992	0.4
125.02412	0.4
127.04017	0.8
145.94341	0.3
171.31561	0.4
173.04497	0.9
181.67850	0.4
191.05630	100.0
278.76340	0.4
414.69165	0.4
477.29407	0.4
547.24445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74931	0.9
57.93685	0.9
59.01379	24.4
71.01376	25.7
71.01736	1.8
72.99252	1.4
73.02934	5.2
77.04855	1.1
83.01389	2.6
85.02944	6.4
87.00869	2.5
89.02432	27.5
97.09561	1.2
99.00872	1.8
101.02447	22.2
111.00917	1.7
113.02451	12.3
119.03490	8.3
125.02441	1.6
131.03500	5.3
131.04512	1.3
143.03488	2.5
149.04617	1.9
161.04543	7.1
191.05640	11.5
225.14948	12.0
367.10428	1.4
387.20319	13.4
519.24536	100.0
579.27051	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53768	0.5
54.96331	0.5
58.69285	0.4
60.52290	0.5
63.96232	0.5
71.01389	3.8
73.02929	0.9
78.98583	3.6
79.95728	3.1
80.96513	37.0
80.96990	1.2
85.02943	2.3
87.00882	1.0
94.98084	9.1
96.96008	0.6
97.02964	2.0
101.02421	2.8
106.98078	1.2
122.97562	2.1
125.02441	3.8
134.97572	3.5
136.99170	1.1
146.38220	0.6
148.99142	7.5
152.98650	7.5
164.97414	0.9
164.98639	15.7
170.52493	0.5
182.99763	0.9
206.99658	3.5
225.00752	24.6
260.11752	0.6
279.23419	3.4
299.04419	4.5
299.44910	0.6
301.20526	0.6
472.23676	0.6
579.28510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65358	0.6
59.07288	0.6
62.66303	0.7
71.01376	1.7
78.98592	3.2
79.95728	1.7
80.96511	36.5
85.02934	1.5
87.00894	1.2
94.98063	11.9
97.02927	1.6
101.02424	1.1
106.98064	2.9
114.23827	0.7
116.79857	0.8
122.97561	0.9
125.02403	1.0
134.97568	4.6
136.99167	0.8
148.99161	6.4
152.98607	5.5
164.98639	15.7
176.44594	0.8
206.99667	3.4
225.00734	18.3
279.23483	2.9
299.04437	4.5
303.81964	0.8
351.21307	0.8
579.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57999	0.5
71.01362	2.9
73.02972	0.8
78.98578	4.3
79.95736	2.5
80.96513	34.5
81.03463	0.7
81.35990	0.7
85.02932	0.8
94.98086	9.9
96.95984	0.7
97.02892	0.8
101.02409	1.3
106.98068	2.8
122.97577	4.4
125.02423	3.6
134.97571	4.0
136.99110	2.3
146.97552	0.7
147.76236	0.6
148.99141	7.6
152.98636	7.2
154.35928	0.7
155.20248	0.6
164.98621	14.9
167.00060	0.9
182.99672	2.8
188.66293	0.7
206.99619	4.1
225.00745	27.3
243.01570	2.5
279.23227	4.2
299.04425	3.8
399.24860	0.6
447.94998	0.7
468.56921	0.6
579.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.6
78.10133	0.7
78.95903	0.8
78.98581	4.6
79.95736	5.5
80.96513	44.1
81.03462	0.8
83.97508	0.7
85.02952	1.6
87.00859	1.5
94.98080	10.8
97.02986	0.8
99.00926	0.9
101.02440	1.3
106.98080	2.7
122.97577	1.5
125.02424	3.0
134.88153	0.7
134.97598	5.0
136.99167	1.5
147.05304	0.6
148.99179	6.8
152.98643	7.1
164.98621	14.0
182.99657	1.1
206.99654	3.8
225.00749	24.0
279.23279	4.9
299.04440	4.2
305.86737	0.6
320.80322	0.9
338.77698	0.7
355.58511	0.7
425.93301	0.7
488.87772	0.8
573.22357	0.7
579.28534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10312	0.6
62.98116	0.6
65.59838	0.8
71.01376	3.7
73.02927	0.9
76.50176	0.7
78.98582	2.9
79.95742	3.3
80.96512	37.3
81.03448	0.9
85.02972	2.1
87.00893	3.2
94.98085	11.3
97.02934	1.5
101.02428	3.2
101.39478	0.7
106.98067	3.0
122.97536	4.3
125.02413	3.3
130.55434	0.7
134.97627	2.4
136.99106	0.8
148.99123	6.7
152.98625	6.8
164.37146	0.8
164.98633	15.9
196.56218	0.7
206.99739	5.2
225.00754	22.9
225.02931	1.1
243.01857	0.9
279.23172	3.5
299.04391	4.1
430.42728	0.8
506.70767	0.8
520.12128	0.9
579.28516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49494	0.4
58.37508	0.5
59.01367	2.2
63.96218	0.4
71.01392	4.2
73.02917	0.7
74.73859	0.4
76.12998	0.4
77.00123	0.4
77.48318	0.5
78.95892	0.6
78.98595	3.7
79.39188	0.5
79.95753	3.9
80.96515	39.4
81.03453	0.6
85.02937	2.8
87.00855	2.1
94.98074	12.1
96.96018	0.6
97.02886	1.6
101.02441	2.2
106.98058	2.1
107.52956	0.5
111.39122	0.5
122.97577	3.2
125.02443	3.8
134.97591	4.3
136.99135	2.0
148.99141	6.9
152.98618	6.9
152.99670	0.7
164.98642	17.0
171.70703	0.5
206.99667	4.4
225.00746	24.7
279.23337	3.0
289.22537	0.5
299.04504	5.2
579.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21094	0.4
65.27167	0.5
71.01377	2.8
73.02915	0.6
75.82190	0.5
78.98580	3.8
79.95732	3.3
80.96513	32.3
85.02955	1.0
87.00858	1.1
94.98077	8.4
97.02949	1.2
101.02438	1.9
106.98083	2.0
122.97584	2.4
125.02413	3.2
125.16144	0.5
127.03994	0.5
132.10258	0.5
133.67314	0.5
134.97603	2.3
136.99176	1.1
148.99167	5.6
152.98651	6.6
159.68237	0.7
164.98625	13.2
169.05229	0.5
206.99687	3.1
225.00755	17.1
276.45630	0.5
279.23303	3.1
299.04462	4.2
299.08710	0.6
327.19217	0.6
579.28528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13688	1.0
52.18600	1.0
59.01371	5.2
61.98833	12.3
63.14545	1.1
65.06393	1.0
71.01372	2.5
72.99296	1.2
78.95895	6.5
78.98598	5.1
79.95737	1.7
80.96515	42.4
81.03474	1.9
85.02959	1.8
94.98082	11.9
101.02435	1.9
122.97563	2.2
125.02402	1.3
134.97559	2.2
135.74377	1.2
148.99159	6.1
152.98595	7.6
163.04039	1.7
164.98607	13.3
206.99734	5.5
225.00777	26.4
279.23148	6.2
280.22757	1.5
284.74915	1.2
299.04538	5.6
489.15326	2.1
505.30508	2.0
519.20233	8.4
579.28491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01096	1.5
59.01382	25.6
70.78150	0.9
71.01376	23.9
71.01734	1.5
72.99310	1.2
73.02943	9.7
75.00877	6.4
83.01385	7.2
85.02950	10.7
87.00879	11.3
89.02440	10.1
95.01379	1.4
97.02928	1.3
99.00873	5.0
101.02441	35.5
103.04003	1.5
113.02451	16.1
116.74632	0.9
119.03482	2.2
131.03500	1.0
137.02390	1.2
143.03471	1.5
159.02979	2.2
161.04579	7.3
164.04819	1.3
166.02690	12.6
181.05072	26.0
195.11362	1.9
208.03871	1.3
223.06155	1.2
260.36829	0.9
373.22369	10.5
387.10919	5.5
402.13174	4.2
417.15594	19.6
461.14597	12.9
476.16956	4.2
491.19440	8.0
519.28137	100.0
579.21356	7.9
579.30328	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	4.4
59.01382	89.5
71.01382	19.8
73.02943	33.5
85.02956	8.8
87.00879	3.9
89.02438	38.6
96.96008	3.9
101.02431	52.2
103.04005	25.1
113.02424	3.6
115.04029	16.8
115.51324	2.1
119.03493	9.3
131.03484	14.0
136.89429	2.1
143.03505	31.8
145.05066	4.6
163.06122	60.0
205.07178	27.7
265.09338	13.5
325.11322	8.9
385.58582	2.1
396.04456	2.6
519.28186	100.0
579.30115	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55619	0.8
55.92658	0.9
58.56437	0.8
59.01380	58.9
71.01373	16.2
72.99310	1.2
73.02939	18.4
85.02949	6.1
87.00869	2.0
87.04492	1.8
89.02438	21.4
92.23124	1.9
93.30781	1.2
95.01424	0.9
96.96004	1.9
101.02441	36.0
102.06082	1.0
103.04012	14.5
103.91665	0.9
113.02458	8.1
115.04013	9.7
119.03481	7.2
123.09919	1.0
131.03482	13.4
143.03488	15.1
145.05063	4.0
161.04652	1.3
163.06113	24.9
178.02763	1.0
193.04953	1.2
197.18358	1.0
205.07191	15.8
208.03798	0.9
232.08604	0.9
265.09329	4.7
365.89551	1.4
373.22433	1.5
388.61169	1.0
401.48978	1.0
519.28143	100.0
579.30438	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33581	0.5
57.00471	0.6
57.03444	1.4
59.01382	34.8
62.96770	0.6
67.52290	0.6
71.01379	28.4
72.99308	0.7
73.02932	4.1
75.00843	0.7
75.49954	0.6
83.01364	3.2
85.02944	10.3
87.00854	1.1
89.02440	18.5
92.40277	0.6
95.01372	1.3
97.02953	0.9
99.00868	2.6
101.02439	20.7
113.02440	14.1
119.03488	7.1
128.68329	0.6
136.01633	1.0
143.03499	0.7
151.04001	9.1
161.04549	4.1
166.02762	1.0
181.05089	1.5
236.10373	1.1
253.90485	0.7
276.94955	0.7
309.07794	2.1
324.09906	3.7
339.11746	1.0
342.11084	2.5
357.13449	7.4
417.15607	1.5
417.24991	4.1
554.37555	0.7
579.21753	4.8
579.30286	100.0
593.26416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53699	0.7
50.76820	0.8
50.78419	0.7
50.84631	0.8
53.80387	0.9
55.01858	0.8
55.94569	0.8
57.03448	1.2
59.01383	35.4
64.34049	0.9
71.01382	24.8
71.01769	1.3
73.02942	5.4
83.01379	2.0
85.02937	10.2
87.00838	1.8
89.02433	21.6
95.01405	1.4
99.00875	1.6
101.02441	24.4
113.02448	13.9
119.03490	8.6
121.05819	0.8
136.01654	4.7
137.02469	1.2
151.04010	22.7
159.02959	1.5
161.04559	4.3
179.05524	1.1
181.05069	3.7
188.86751	0.9
190.02765	1.1
191.03578	1.5
205.05093	1.8
213.69269	1.1
223.06216	1.2
339.12643	1.0
342.11166	1.8
343.21103	1.7
357.13431	28.5
387.10641	1.4
417.15601	1.5
417.25256	6.9
579.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07009	0.6
58.04765	0.7
59.01382	100.0
59.54676	0.6
63.26558	0.6
70.18707	0.6
71.01380	0.8
73.19497	0.7
74.16160	0.7
78.73573	0.8
110.46587	0.8
220.46576	0.8
281.85126	0.9
334.83987	0.8
579.31555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78501	0.7
52.76847	0.6
59.01377	4.5
78.95902	100.0
96.96948	3.8
99.92574	1.5
101.31453	0.8
103.00352	1.2
116.92855	14.4
125.09699	10.2
152.99597	27.9
158.93903	3.9
187.09746	19.7
202.44815	0.8
221.92215	0.9
255.23315	72.1
391.22781	1.4
394.29523	0.9
519.35168	1.0
546.30756	0.8
559.60931	0.9
579.18793	4.6
579.33112	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05727	0.4
54.63472	0.5
58.07872	0.4
62.96399	0.6
64.40234	0.5
78.67003	0.5
78.95899	100.0
87.00846	2.6
96.96964	1.1
97.06577	0.6
108.03629	0.5
125.09715	11.9
144.63112	0.5
152.99580	26.1
169.08679	0.6
187.09767	19.0
255.23311	48.2
278.38538	0.6
300.81503	0.7
339.78690	0.5
358.16727	0.7
391.22327	1.1
397.14655	0.6
427.62399	0.5
579.33099	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3393
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
55.92203	0.8
59.01382	28.8
69.03464	1.1
71.01381	29.5
73.02930	2.1
83.01393	7.2
85.02946	8.0
87.00872	27.4
89.02439	27.3
95.01387	4.8
97.02921	1.4
99.00877	1.3
101.02438	19.6
113.02454	17.7
119.03473	9.6
125.02428	1.8
131.03503	1.9
141.01965	1.3
143.03484	3.7
152.35236	1.1
161.04536	7.0
179.05620	2.3
245.19254	1.0
255.23314	100.0
269.24908	54.4
279.23279	2.2
297.24472	10.1
323.06290	1.7
323.09854	27.8
341.10925	42.4
579.34045	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.58351	0.9
59.01100	2.0
59.01380	37.8
68.27319	1.0
71.01375	28.4
73.02964	1.3
78.95916	2.5
83.01395	1.6
85.02927	3.5
87.00865	5.9
89.02437	36.8
89.02959	2.0
95.01382	1.5
101.02435	19.9
113.02427	14.1
119.03484	15.7
131.03445	1.7
136.84840	1.0
143.03493	1.8
152.99577	1.5
161.04596	5.2
164.01152	1.2
179.05626	10.6
239.03459	1.5
252.04234	4.0
255.23311	100.0
268.03912	9.9
268.06696	1.4
269.24893	7.7
283.06122	9.5
283.09720	13.3
295.06189	1.3
297.24249	2.5
323.09808	22.4
341.10916	33.3
579.16724	14.0
579.33929	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3388
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
52.74279	0.6
56.22327	0.6
59.01385	3.3
71.01377	4.2
77.90908	0.5
78.95904	3.2
83.87463	0.5
85.02946	3.1
87.00872	2.7
89.02440	4.0
92.64268	0.6
99.00863	0.9
101.02450	2.9
101.72277	0.6
105.70954	0.5
107.65624	0.5
109.29063	0.6
113.02424	6.5
119.28260	0.7
151.30428	0.7
152.99596	1.2
161.04568	1.2
185.11858	0.7
206.24503	0.7
255.23317	100.0
323.09851	25.2
419.20038	0.7
561.69769	0.6
579.34827	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46239	0.6
59.01377	6.2
61.98827	3.2
67.14905	0.6
70.88022	0.6
70.88542	0.6
71.01391	1.7
78.95900	4.8
86.93334	0.7
88.58902	0.7
89.02433	1.6
101.02444	3.1
113.02415	1.1
136.53284	0.8
152.99553	0.8
193.03882	0.8
215.60359	0.8
235.08189	1.5
253.09268	8.9
255.23383	1.6
274.04660	0.8
283.26456	100.0
313.58502	0.7
421.40552	0.9
519.35461	7.1
579.39648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.5
59.01383	12.8
60.82035	0.3
60.82344	0.3
61.98821	0.3
62.37233	0.3
71.01372	1.9
78.95887	0.7
85.02955	0.6
89.02440	0.7
101.02438	2.4
111.00382	0.4
113.02451	0.9
119.03556	0.5
132.79089	0.4
135.04556	0.8
140.65302	0.4
161.04614	0.7
175.85602	0.4
187.73068	0.4
255.23318	100.0
263.11356	4.8
281.09583	0.5
281.12244	3.1
331.12262	0.4
519.35376	10.7
579.32721	0.6
579.41992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39629	0.6
59.01376	6.1
69.03443	8.4
72.99305	20.1
75.00871	98.7
75.61783	0.8
78.95900	1.1
83.05019	4.4
90.08320	0.7
98.70306	0.7
135.08177	1.1
143.93790	0.7
144.04250	1.2
279.23312	23.7
280.23660	45.2
504.30905	3.3
505.31378	30.6
579.39124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75710	1.6
58.66327	1.9
59.01384	4.1
67.01466	1.8
69.62893	2.0
71.01411	1.8
71.05038	2.2
78.95903	20.4
99.00861	18.0
120.57982	1.9
125.09728	15.3
144.59018	1.9
152.99651	8.9
163.11305	13.6
181.12363	29.0
187.09845	3.2
199.13506	9.3
201.27049	1.8
207.10298	38.0
225.11343	57.8
243.12471	20.0
253.09296	3.3
255.23428	12.6
279.23294	54.0
283.26456	86.6
299.15118	7.1
301.24469	1.9
317.16034	5.4
579.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02586	3.2
78.95912	26.9
152.99565	6.7
165.37018	3.2
187.09915	5.4
221.66853	3.7
245.02292	3.9
255.23373	15.0
277.21762	5.5
301.21741	100.0
359.30087	4.9
430.53061	3.5
579.33844	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69680	0.5
58.17596	0.6
61.98830	0.5
62.96949	0.5
64.54102	0.4
69.03456	16.3
71.01378	6.0
72.99311	0.8
75.00887	0.7
79.01886	1.1
85.02950	3.0
87.00870	2.2
97.02943	30.1
110.30570	0.6
111.00878	0.8
115.00356	3.2
123.00806	0.6
124.64703	0.7
129.01942	1.3
141.01950	8.5
141.09212	3.4
157.08694	1.1
185.00877	0.7
203.01999	100.0
203.09277	19.3
209.14609	0.7
340.93491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71793	0.3
59.01384	2.5
61.11416	0.2
61.98823	0.4
63.48729	0.2
71.01381	0.3
72.42100	0.2
72.99306	2.7
75.00877	4.7
75.84232	0.2
76.95699	0.3
77.57491	0.2
87.00873	2.6
103.00352	0.6
105.01933	100.0
113.02444	3.8
122.26311	0.3
147.87828	0.3
158.33681	0.2
184.01553	0.3
228.66745	0.3
312.40247	0.3
394.50714	0.3
474.12302	0.3
580.15631	0.3
580.24487	0.5
580.33789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01825	0.5
55.39988	0.4
68.82010	0.5
69.01529	0.5
70.46569	0.5
71.01375	7.8
72.99293	0.8
81.69833	0.5
89.02452	0.9
93.75682	0.5
97.83651	0.5
110.66998	0.5
115.00359	37.8
133.01427	100.0
268.28873	0.6
507.01053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85694	0.4
57.97340	0.4
71.01369	8.8
72.99303	1.7
73.72076	0.4
87.10346	0.4
89.02436	0.9
106.45527	0.5
115.00362	38.2
125.07595	0.5
126.44617	0.4
133.01424	100.0
165.84679	0.4
185.90407	0.4
274.32852	0.4
274.61945	0.5
494.09305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52719	0.6
61.45277	0.8
68.91803	0.8
72.04548	3.8
74.83737	0.8
79.58438	0.8
82.02981	33.3
82.36266	0.7
87.13591	0.7
98.02472	19.0
100.04042	35.2
119.05019	21.6
136.34467	0.8
192.10281	6.8
218.08174	7.6
220.09822	19.9
255.50603	1.0
264.08792	100.0
284.47971	0.9
344.63879	1.0
551.25336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44243	0.7
59.01382	3.7
70.23476	0.9
71.01379	1.9
78.95913	1.9
88.39851	0.9
101.02409	0.8
104.87856	0.8
111.04501	1.2
111.80244	0.8
113.02452	1.8
139.03992	5.6
141.56082	0.9
152.99579	0.9
168.99989	0.8
175.77702	0.8
238.43686	0.8
251.29434	0.8
277.21753	100.0
371.25891	0.9
375.25375	4.0
389.26883	7.6
417.26474	4.9
517.77881	0.9
580.22931	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31318	0.7
59.01382	5.2
61.98837	73.1
71.01363	1.1
78.95918	7.4
83.60144	0.8
89.23617	0.9
95.05011	1.1
101.02473	1.5
111.04537	0.9
113.02433	2.1
114.74586	0.8
125.09649	1.2
139.04013	4.3
152.99605	1.1
187.09743	1.6
201.58765	1.0
233.22993	1.0
255.23267	1.3
256.23557	1.1
277.21759	100.0
281.24741	1.6
282.25140	4.2
283.25516	1.2
334.61905	0.9
375.25348	2.0
389.27103	8.7
396.04572	1.0
417.26398	4.8
580.33441	6.4
603.54633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99921	0.4
59.01383	9.2
61.98828	2.9
69.12779	0.5
78.95900	7.7
108.75309	0.4
137.94183	0.4
145.41628	0.4
145.84622	0.4
152.99561	2.5
168.04301	2.4
169.72641	0.5
224.06973	8.4
242.07980	1.9
264.36169	0.5
281.24875	100.0
350.87924	0.5
506.32581	67.5
580.36334	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90416	0.3
59.01375	6.9
61.98822	2.5
62.45612	0.4
67.43875	0.4
74.20656	0.4
78.95898	3.6
152.99609	4.6
159.30534	0.4
168.04303	0.5
175.60854	0.4
224.07001	0.6
242.07982	0.9
248.87085	0.4
281.24872	100.0
433.29755	0.5
506.32565	49.0
580.36768	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
61.98835	9.8
72.62110	0.8
78.95898	6.0
87.31923	0.9
89.02448	1.3
106.32722	1.1
107.26731	0.9
152.99562	2.2
168.04309	2.1
176.37781	1.1
224.06990	7.9
242.07994	1.7
253.90218	1.0
255.23222	1.5
256.23526	1.9
281.24881	100.0
342.11160	1.6
506.25104	2.0
506.32544	62.4
580.36066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99876	0.3
52.90139	0.3
55.87906	0.3
59.01381	7.6
63.36127	0.4
70.80793	0.4
78.95911	3.9
119.81259	0.4
152.99574	2.1
168.04282	0.6
224.06924	0.4
242.08026	2.4
281.24881	100.0
366.12125	0.5
426.32535	0.5
506.32562	48.0
575.84448	0.5
580.36560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43248	1.5
69.03448	2.6
73.02946	2.0
74.02456	17.4
75.00877	18.0
95.04979	2.2
100.04043	40.2
115.02757	3.5
116.03495	14.7
118.05082	6.3
139.06387	2.5
156.76184	1.5
249.22289	2.6
269.13055	1.8
294.39056	1.8
300.39810	1.5
320.26019	8.5
333.06149	1.7
342.17474	1.7
350.26508	1.8
368.28192	32.3
395.07791	1.7
580.49506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58101	0.2
59.01385	0.3
59.40233	0.2
62.86163	0.2
63.80845	0.3
72.99317	0.3
75.79580	0.3
79.95747	1.3
88.18214	0.3
89.02443	0.3
89.73284	0.3
94.98103	0.3
96.96003	100.0
100.80040	0.3
153.14795	0.2
197.04445	0.3
205.05110	0.4
208.42574	0.3
233.20351	0.3
241.32916	0.3
248.25545	0.3
581.18884	0.9
581.26862	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95210	0.4
51.45436	0.3
59.01380	3.0
71.01383	1.9
73.02966	0.8
76.09292	0.3
79.95734	0.8
80.07238	0.4
83.80801	0.4
85.02959	0.9
89.02435	0.7
90.62720	0.4
96.96008	100.0
101.02447	2.7
107.26234	0.4
113.02429	1.5
124.30596	0.4
152.50456	0.4
179.03488	0.4
190.02754	1.7
191.05583	0.5
197.75005	0.5
205.05095	0.9
223.06274	0.5
226.80763	0.5
375.23773	0.5
389.16357	0.8
521.29694	6.5
581.18396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95210	0.4
51.45436	0.3
59.01380	3.0
71.01383	1.9
73.02966	0.8
76.09292	0.3
79.95734	0.8
80.07238	0.4
83.80801	0.4
85.02959	0.9
89.02435	0.7
90.62720	0.4
96.96008	100.0
101.02447	2.7
107.26234	0.4
113.02429	1.5
124.30596	0.4
152.50456	0.4
179.03488	0.4
190.02754	1.7
191.05583	0.5
197.75005	0.5
205.05095	0.9
223.06274	0.5
226.80763	0.5
375.23773	0.5
389.16357	0.8
521.29694	6.5
581.18396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1439
Annotation	2,3-Dihydrosciadopitysin
Peak:m/z	Relative Intensity
55.77751	6.1
60.34531	6.5
61.45640	5.6
70.75528	5.7
78.95893	6.7
84.91165	6.2
157.86377	6.1
160.72734	7.2
173.06087	13.3
243.06497	44.9
253.05005	9.2
255.06697	11.1
257.08221	14.5
281.04636	58.0
281.08307	51.8
297.40182	8.7
299.09265	100.0
366.04910	7.2
471.94342	6.5
483.90228	6.6
521.12445	10.7
581.14490	91.9
606.72766	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1463
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
50.24852	2.2
59.01381	7.3
78.95924	4.3
79.80634	2.8
85.57160	2.7
98.15871	2.8
103.79855	2.5
152.99541	4.6
173.06065	5.0
182.40295	3.0
191.03569	11.7
239.03432	5.3
243.06667	19.6
252.04353	6.1
255.06590	17.5
267.06668	5.7
268.03787	34.6
268.06815	3.7
281.04630	4.5
281.08127	3.4
281.24915	22.6
282.25250	50.0
283.06183	88.4
283.09637	14.4
285.07718	92.0
295.06122	13.3
297.07761	25.0
299.09241	6.8
391.08017	3.8
507.32724	21.4
581.14349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.145
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
116.92884	4.7
125.02429	29.4
133.25444	4.2
134.48473	4.0
149.71588	4.9
173.06068	98.6
213.05649	4.3
225.05588	7.0
226.08420	3.6
253.05116	18.0
255.10248	18.1
257.08084	15.0
269.04495	35.8
281.04599	56.5
285.11380	6.9
299.09094	28.2
321.07651	4.6
363.08618	16.9
388.00253	4.4
465.13693	4.7
483.22803	5.2
537.15509	41.6
581.14331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
59.93588	4.0
71.64243	4.3
78.95911	23.2
80.20986	4.2
84.64085	4.5
85.23856	4.1
87.00861	4.3
95.89064	4.2
125.02441	29.5
163.95403	4.5
173.06073	100.0
199.68460	5.8
225.05727	6.5
237.05594	8.5
243.06595	7.5
253.05179	6.5
255.10315	8.9
257.08179	5.8
259.02707	5.6
269.04523	31.3
271.22885	8.5
281.04568	61.6
299.09381	20.1
307.06296	5.1
363.08908	9.7
500.01767	5.3
537.15405	49.3
581.14404	98.7
581.33179	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
61.56288	2.1
67.19143	2.2
72.99305	100.0
74.97868	2.1
85.02959	4.3
137.02425	3.2
138.03226	4.5
146.03717	16.3
147.04507	71.6
150.03258	5.7
159.04530	5.1
162.03284	3.5
163.04025	17.3
164.04764	2.8
190.02747	32.6
191.03503	30.6
191.05635	10.9
271.06152	10.9
283.06137	31.3
286.08444	19.7
298.08508	27.5
301.10876	48.3
309.04095	9.8
313.10934	37.8
327.05161	3.2
328.09525	6.2
329.10400	3.7
331.11795	4.6
339.08957	4.0
341.06696	5.4
342.07452	10.9
357.09885	66.4
375.10889	64.8
401.08817	61.3
419.09894	53.2
461.10721	6.1
521.13000	42.7
574.29205	3.1
581.14966	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34275	1.4
58.56941	1.3
70.89278	1.4
72.41334	1.3
72.99303	100.0
73.18227	2.0
76.25066	1.7
79.12772	1.4
92.23067	2.6
95.19171	1.6
115.00364	2.5
138.03201	2.3
145.02974	1.9
146.03728	13.1
147.04518	43.1
150.03252	8.2
153.05612	6.1
159.04512	3.8
162.03139	1.8
163.04010	12.0
175.03976	2.9
190.02718	15.8
191.03511	23.4
193.05052	3.4
195.06674	3.1
235.06224	2.6
271.06116	9.7
282.08884	2.2
283.06104	14.1
286.08472	19.5
298.08463	18.2
301.10864	46.7
313.10815	29.7
324.06451	2.0
327.08960	2.1
328.09488	3.9
329.10233	3.3
331.11896	3.1
339.08649	2.2
341.06790	2.4
342.07339	3.2
357.09830	33.5
359.11594	6.9
373.13049	12.7
375.10773	44.9
389.12390	6.6
401.08688	12.2
404.14731	3.3
419.09894	41.7
419.17007	22.7
461.11172	13.8
491.11801	14.2
521.12982	57.1
581.15277	33.6
584.24609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
61.56288	2.1
67.19143	2.2
72.99305	100.0
74.97868	2.1
85.02959	4.3
137.02425	3.2
138.03226	4.5
146.03717	16.3
147.04507	71.6
150.03258	5.7
159.04530	5.1
162.03284	3.5
163.04025	17.3
164.04764	2.8
190.02747	32.6
191.03503	30.6
191.05635	10.9
271.06152	10.9
283.06137	31.3
286.08444	19.7
298.08508	27.5
301.10876	48.3
309.04095	9.8
313.10934	37.8
327.05161	3.2
328.09525	6.2
329.10400	3.7
331.11795	4.6
339.08957	4.0
341.06696	5.4
342.07452	10.9
357.09885	66.4
375.10889	64.8
401.08817	61.3
419.09894	53.2
461.10721	6.1
521.13000	42.7
574.29205	3.1
581.14966	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32911	0.3
59.01377	0.8
59.89906	0.3
71.01377	7.1
72.00911	3.0
72.99297	2.3
74.02461	3.7
75.50783	0.3
78.11098	0.3
83.57462	0.4
87.00882	0.7
89.02441	1.8
100.14610	0.4
101.02480	0.4
113.02454	0.6
115.00369	37.9
116.05061	13.6
133.01430	100.0
142.06612	3.4
149.43532	0.3
159.09271	6.1
166.47681	0.4
186.05606	0.9
194.09067	0.4
201.07793	0.4
203.08286	58.9
225.53943	0.4
237.79201	0.4
247.90562	0.4
279.10861	2.2
581.24280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40904	0.5
58.52707	0.5
71.01377	7.4
72.00903	0.7
72.99303	1.2
74.02477	1.3
77.74772	0.5
80.06800	0.6
87.00848	0.7
89.02448	1.1
115.00366	37.6
116.05062	7.0
133.01430	100.0
142.06665	1.0
142.21939	0.6
159.09250	4.6
164.79848	0.6
177.44891	0.6
180.18205	0.6
194.84860	0.6
203.08281	29.7
238.67528	0.5
240.45500	0.6
249.62254	0.6
279.10828	0.8
303.03336	0.6
581.47906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1826
Annotation	2,6-Dihydroxy-4-methoxy-5-C-methyl-3-C-[5,7-dihydroxy-3-methoxyflavon-8-yl]dihydrochalcone
Peak:m/z	Relative Intensity
51.99938	0.7
88.30846	0.8
119.15919	0.8
143.46533	1.0
148.91386	0.9
153.05550	1.3
166.02715	27.8
179.03593	1.1
183.04535	8.2
187.70314	1.1
195.08151	5.8
223.07672	9.9
239.07120	9.2
252.07919	5.0
267.06705	13.1
267.09979	8.0
270.08987	15.0
283.06152	60.9
285.11343	100.0
295.06137	71.1
297.11530	1.1
381.11420	0.9
394.29840	1.1
581.18152	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54694	1.0
54.59684	0.7
67.65128	0.7
70.41967	0.9
114.39589	1.0
120.59747	0.9
137.13550	1.0
166.02696	25.2
173.06046	1.4
204.85838	1.1
207.32030	1.0
212.87589	1.0
223.04124	1.5
224.36084	1.3
239.03284	2.9
252.04335	14.8
252.07971	2.2
267.10275	6.5
268.03757	10.3
270.08978	11.4
271.09705	1.6
279.23285	13.4
280.03745	5.7
283.06171	18.1
285.11340	100.0
295.06143	37.0
349.96329	1.0
404.02609	1.0
581.18237	45.4
581.45544	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1831
Annotation	Sophoraflavanone H
Peak:m/z	Relative Intensity
59.27329	1.0
69.00082	0.8
71.05260	0.8
78.95901	34.5
82.96121	0.9
96.96965	0.9
99.92572	5.3
100.93373	9.4
115.92068	18.3
116.92850	23.2
132.82991	0.9
150.98032	3.9
151.68843	1.2
152.99602	25.4
163.89708	2.0
164.90477	5.6
171.00650	8.9
172.95497	1.4
178.88443	7.1
178.92117	1.0
179.89220	21.6
180.90015	22.4
181.90791	9.0
185.17401	0.8
196.89523	24.5
205.90808	10.6
206.91652	7.8
218.91574	1.6
219.92426	1.9
220.93088	1.7
221.90285	1.2
234.91164	3.2
235.91794	8.8
236.92644	14.7
241.13660	1.2
269.09293	1.2
278.93698	1.7
306.49268	1.2
341.31607	0.9
414.50528	1.2
473.14008	1.5
533.15851	1.1
545.16290	1.8
581.18365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.184
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
50.22326	0.8
51.12638	0.8
59.23468	0.9
60.15689	1.0
78.95902	33.7
96.96014	1.5
96.96971	1.5
98.42712	1.1
98.93880	1.2
99.92584	4.9
100.93360	10.9
115.92080	18.7
116.92863	21.6
140.03998	1.0
141.59563	1.1
150.97989	2.6
152.99602	30.5
163.89644	1.3
164.90472	6.6
171.00655	9.0
172.95421	2.6
178.88425	6.1
179.89204	21.5
180.90016	20.5
181.90747	9.9
194.90027	1.7
196.89510	26.1
198.49788	1.1
205.90756	8.9
206.91582	8.1
218.91537	2.1
221.90260	1.4
235.91905	8.6
236.92619	15.3
240.36467	1.2
255.23398	1.8
259.42331	1.2
284.44968	1.1
388.31921	1.2
422.43802	1.1
473.14288	2.0
490.14423	1.5
510.76276	1.2
533.16711	2.1
563.17279	1.6
581.18451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01183	0.5
61.91621	0.4
66.03494	1.0
70.02982	1.0
94.02974	11.3
96.96960	0.6
105.07248	0.5
114.01981	12.2
124.04035	100.0
207.50764	0.5
215.09070	0.5
232.76578	0.5
239.06746	42.2
374.12946	0.5
468.30759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55854	0.6
72.99300	4.6
80.10584	0.6
80.81274	0.6
111.14199	0.6
113.22932	0.6
115.03996	4.8
119.05025	8.3
121.72136	0.7
134.03702	0.8
135.04521	15.7
135.26384	0.6
163.04018	32.8
181.05077	100.0
203.05684	1.0
211.08202	0.7
373.13019	1.2
419.17487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.8
61.51542	1.6
66.37519	1.7
71.01373	4.9
73.02948	2.4
86.86269	1.9
93.47677	1.9
96.33257	2.4
101.02464	8.1
109.21749	2.4
113.02457	4.7
117.03436	4.0
119.04944	2.3
145.02965	27.0
146.03748	4.5
147.04555	14.5
149.02412	16.8
150.03249	2.1
161.02435	16.4
162.03232	51.0
164.04791	49.7
165.05576	2.9
175.00325	4.2
177.05586	10.1
179.07155	11.0
190.02754	72.3
190.06339	3.7
191.03497	11.2
193.05064	4.5
194.34735	2.1
195.06642	8.8
205.03271	4.0
205.05092	83.3
205.08626	3.9
206.05905	16.6
208.03716	3.4
208.07439	4.3
221.08205	23.9
222.05327	2.4
222.09033	3.6
223.06146	53.7
237.07596	3.3
250.05017	3.6
254.39764	2.0
265.07214	47.2
295.08325	9.8
311.09235	3.4
314.11694	17.2
325.09442	8.8
326.11624	12.3
329.13947	43.3
341.13916	18.2
359.14923	3.8
385.11502	10.8
389.16232	19.6
398.29861	2.3
423.92358	2.2
443.31937	2.6
505.88373	2.4
515.78778	2.3
563.09131	4.4
563.17810	100.0
581.10016	3.1
581.18866	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42130	2.7
59.01351	2.5
60.57067	2.6
63.80299	3.2
63.83634	2.3
69.36581	2.8
71.01377	3.4
71.02832	3.2
72.99316	6.1
75.62874	2.6
75.76985	2.8
77.96336	2.9
78.82848	3.2
84.19460	3.1
88.74118	2.8
113.02436	3.1
123.04537	6.4
134.03738	13.2
149.06059	15.9
151.04024	39.6
160.01660	3.5
165.01947	19.6
175.04027	27.9
176.04826	24.7
178.02708	6.0
179.03496	4.7
180.04254	46.9
191.05557	4.6
191.07159	56.9
193.05083	56.1
194.05969	3.2
195.02948	4.4
195.06622	100.0
210.05327	25.0
220.03671	3.8
225.07710	31.2
226.71712	2.9
235.06155	52.6
265.07358	6.7
295.08292	6.1
306.21027	3.8
336.19037	3.9
359.11581	14.4
371.11523	16.0
384.83081	3.6
413.12540	7.6
419.13419	64.3
419.17874	4.5
461.14920	32.3
491.15594	17.3
494.15228	4.5
521.17004	42.8
581.18146	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98618	1.4
55.15147	1.6
59.01364	3.0
61.29818	1.7
61.94082	1.6
71.01379	2.9
79.72665	1.7
87.00865	2.6
92.23045	3.3
97.16379	1.5
101.02425	2.3
107.36212	1.9
110.79094	1.9
134.03751	18.2
136.48024	1.7
137.02394	2.6
148.05299	4.0
149.06105	12.8
149.07303	1.7
152.44566	1.8
160.01723	2.3
165.01932	12.0
165.05475	2.5
175.04018	20.8
176.04796	30.2
177.01910	2.7
178.02742	16.3
179.03534	4.2
180.04276	50.5
191.05569	3.8
191.07155	51.9
192.04352	2.3
193.05069	59.1
194.05890	3.0
195.06641	100.0
207.06548	1.8
210.05367	20.4
217.05148	2.3
220.03812	3.3
225.07704	33.2
235.06134	47.0
261.60635	2.0
265.07205	6.3
295.08234	9.3
297.07877	3.1
312.10089	6.6
371.11340	16.1
384.92444	2.1
385.12793	2.3
413.12622	12.4
415.87064	2.0
419.13605	63.3
461.14618	37.8
491.16068	14.4
521.16687	40.9
581.18750	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
71.01344	1.1
72.06300	1.2
72.40905	1.0
75.61932	0.9
87.00859	1.4
87.90448	1.0
94.98135	1.1
101.02454	1.9
104.27535	1.0
111.00872	4.6
113.02413	2.1
133.02908	1.2
135.04460	1.2
149.02467	10.9
150.03223	35.2
151.03969	1.8
152.01112	1.1
163.04074	1.5
164.04794	19.3
165.05565	100.0
177.05515	1.4
179.07092	11.8
180.04257	7.6
181.05095	1.2
190.02695	6.8
191.03603	1.2
191.05583	1.8
195.06645	33.9
201.18486	1.2
205.05075	22.5
206.05865	24.1
207.03011	4.3
208.03777	26.7
208.07373	4.5
221.08194	29.4
222.09081	1.2
223.06125	56.4
250.04861	11.7
265.07202	32.7
317.02905	1.2
325.09283	4.4
370.01025	1.2
371.11258	2.2
389.16171	7.9
401.08566	1.2
419.13510	55.7
457.51407	1.2
461.14462	24.6
464.34760	1.2
491.15884	2.5
521.16553	11.0
581.18762	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1886
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
53.02870	1.1
59.01384	100.0
64.71987	1.1
71.01378	2.5
72.76460	1.1
73.56926	1.1
85.02933	2.0
85.14942	1.4
101.02415	6.0
113.02461	2.9
117.03470	2.5
119.05019	1.6
133.02995	2.1
134.03749	5.1
145.02940	19.4
146.03751	2.2
147.04521	9.2
149.02437	19.6
150.03244	24.5
160.01743	1.6
161.02504	11.8
162.03214	31.9
163.04065	2.2
164.04802	43.9
165.05565	87.0
165.06964	2.9
175.00305	2.2
175.04022	3.3
177.01927	7.0
177.05573	6.5
179.07135	12.8
180.04269	7.5
181.05125	1.6
184.35880	1.6
190.02721	52.1
191.03477	8.4
191.07132	3.1
193.04997	5.4
193.96626	1.7
195.06641	30.0
205.05089	72.9
206.05843	30.9
207.03026	6.2
207.06651	1.6
208.03784	29.8
209.04414	1.8
221.08229	32.3
222.05359	2.7
223.06125	78.1
223.08324	3.2
235.06155	6.8
236.07066	1.6
237.07675	6.0
250.04836	12.4
265.07196	50.2
269.08139	2.4
283.09882	1.8
295.08191	12.7
298.12088	1.8
299.09186	2.1
311.09241	8.1
314.11682	26.8
325.09460	8.6
326.11621	21.8
329.13974	75.6
341.14001	39.7
359.15076	12.1
385.11295	3.1
419.13525	50.4
425.59039	1.5
425.93500	1.5
461.14758	18.8
488.13425	1.6
521.16772	12.8
563.17804	59.5
581.18768	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56254	1.4
52.63563	1.3
55.01881	2.0
59.01368	1.8
60.73368	1.4
64.08289	1.6
71.01371	3.4
73.65922	1.5
84.81910	1.9
85.02941	44.5
89.02427	2.2
89.37064	2.0
92.22509	3.1
101.02345	1.8
116.92840	11.0
133.05118	2.1
135.04471	2.2
139.04031	2.3
144.88603	1.9
149.02414	7.6
150.03215	23.5
151.03897	2.0
153.05505	1.9
155.45259	1.8
163.03993	6.4
164.03545	3.3
164.04787	41.5
165.05565	65.1
169.16971	1.9
177.05554	9.6
179.07143	37.7
190.02715	29.2
190.06313	9.7
191.05563	3.8
194.05768	2.1
205.05077	60.8
205.08672	11.3
208.03798	21.6
208.07361	14.1
222.08942	7.5
223.06116	36.9
240.47549	1.8
247.06177	15.9
252.48112	1.9
262.08496	55.9
277.10822	81.8
321.09808	11.2
321.13330	2.0
321.65228	2.0
367.10300	24.3
373.13049	3.1
389.11545	2.0
389.16101	36.6
419.17471	16.1
483.14990	8.5
581.18781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.03959	1.3
66.80809	1.4
68.42027	1.4
71.01008	2.5
71.01381	46.0
73.58727	1.6
74.88894	1.4
85.02936	11.5
87.00873	2.2
89.01892	2.3
89.02438	61.7
89.02962	3.4
95.01371	2.0
95.43267	1.5
96.94174	1.5
101.02444	26.9
108.07151	1.4
113.02454	20.7
119.03506	26.6
137.02409	2.6
143.03516	2.5
149.02490	3.8
149.04561	2.2
150.03206	16.5
151.04059	2.2
153.05562	2.2
161.04581	8.7
162.03236	6.3
162.44876	1.7
163.03989	1.6
164.04845	18.6
165.05605	21.9
175.00388	1.9
175.03972	7.3
179.05643	22.4
179.07112	2.6
190.02754	41.3
190.06348	6.4
191.03391	1.8
193.64240	1.9
195.06682	8.1
202.06374	2.0
203.07053	3.8
205.05074	71.2
208.03802	2.3
219.06387	2.3
220.07408	14.8
223.06175	15.6
235.09679	3.5
251.49683	2.0
265.07169	3.3
303.26617	1.8
329.13925	2.8
341.10220	11.4
356.12808	3.1
367.03955	1.7
367.10236	7.3
371.11383	1.9
401.16107	36.3
419.16977	2.6
503.81516	1.7
533.16461	27.3
563.17609	10.8
581.22754	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.03959	1.3
66.80809	1.4
68.42027	1.4
71.01008	2.5
71.01381	46.0
73.58727	1.6
74.88894	1.4
85.02936	11.5
87.00873	2.2
89.01892	2.3
89.02438	61.7
89.02962	3.4
95.01371	2.0
95.43267	1.5
96.94174	1.5
101.02444	26.9
108.07151	1.4
113.02454	20.7
119.03506	26.6
137.02409	2.6
143.03516	2.5
149.02490	3.8
149.04561	2.2
150.03206	16.5
151.04059	2.2
153.05562	2.2
161.04581	8.7
162.03236	6.3
162.44876	1.7
163.03989	1.6
164.04845	18.6
165.05605	21.9
175.00388	1.9
175.03972	7.3
179.05643	22.4
179.07112	2.6
190.02754	41.3
190.06348	6.4
191.03391	1.8
193.64240	1.9
195.06682	8.1
202.06374	2.0
203.07053	3.8
205.05074	71.2
208.03802	2.3
219.06387	2.3
220.07408	14.8
223.06175	15.6
235.09679	3.5
251.49683	2.0
265.07169	3.3
303.26617	1.8
329.13925	2.8
341.10220	11.4
356.12808	3.1
367.03955	1.7
367.10236	7.3
371.11383	1.9
401.16107	36.3
419.16977	2.6
503.81516	1.7
533.16461	27.3
563.17609	10.8
581.22754	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.59838	2.1
78.95918	9.5
88.22630	2.4
92.23058	2.6
101.90569	2.4
114.60710	2.0
132.56485	2.0
146.66286	2.2
149.02466	4.4
150.03215	71.4
152.99599	3.4
165.05565	100.0
175.03958	3.8
180.04262	5.1
190.06343	4.0
195.06671	35.0
208.91385	2.7
247.04872	2.4
307.06406	2.3
321.07632	22.4
322.08374	4.3
324.06232	2.6
325.07291	22.0
336.10031	4.8
337.07318	16.3
339.08551	9.9
340.09534	11.6
355.12030	20.0
367.11832	48.4
535.12622	2.7
581.19830	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
67.34511	0.8
78.95910	1.2
93.98210	0.8
95.75139	1.0
96.95982	1.3
121.02921	3.8
122.03703	4.1
149.02412	12.3
150.03215	77.6
161.84274	1.0
164.04794	3.6
165.05568	100.0
167.03789	1.0
169.28616	0.9
175.04150	1.2
179.34863	1.0
180.04306	8.5
195.06641	49.5
229.49765	1.0
245.49205	1.0
264.31189	1.0
267.15894	1.0
271.65085	1.0
297.07693	5.3
304.07983	1.0
323.09210	1.5
324.10156	3.9
325.07224	9.6
337.07208	4.6
339.12421	4.8
340.09698	3.9
355.08267	72.9
369.09821	1.5
370.10605	22.4
385.12970	74.9
503.17117	1.6
533.18207	18.6
581.20648	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
60.91887	1.1
61.98830	1.2
65.06333	1.1
67.15271	1.1
70.01030	1.3
81.16262	1.5
96.95991	1.6
122.03716	3.1
130.10533	1.4
130.22099	1.3
149.02435	6.4
150.03229	79.1
164.04808	7.0
165.05574	100.0
168.42694	1.3
175.71143	1.6
180.04253	9.8
195.06633	48.1
211.04623	1.6
297.07736	8.8
325.07190	16.5
326.07751	1.8
337.06967	1.7
340.09537	2.8
355.08258	84.5
370.10663	23.2
385.12985	99.4
521.27625	3.2
533.18878	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2039
Annotation	Rhusemialin A
Peak:m/z	Relative Intensity
56.08683	0.7
59.70074	0.7
68.66927	0.7
68.99821	10.1
69.84710	0.7
78.76665	0.8
82.95415	0.8
85.16228	0.9
99.28809	0.9
105.57294	0.8
108.02158	10.4
108.34397	0.8
109.02931	3.3
113.22281	0.7
113.92208	0.9
123.00896	9.3
123.04515	22.3
125.02455	0.8
132.02142	1.3
138.03204	5.4
142.24547	0.9
147.04559	1.1
148.40805	0.8
150.03233	11.0
153.05624	1.1
159.33026	0.9
161.02419	7.9
162.03209	6.9
163.04012	9.4
164.04756	1.2
165.05461	2.5
177.05562	43.4
178.02722	35.8
178.04298	1.2
179.03467	2.0
183.10297	0.8
193.03339	1.9
193.05055	53.1
194.05820	1.9
197.82503	1.0
223.99603	0.9
238.14003	0.9
257.49127	1.1
272.95825	0.8
283.30035	0.9
323.09244	4.5
324.10049	3.7
327.08774	6.2
338.11441	1.2
339.08682	15.2
339.12460	2.8
341.10092	1.2
342.11096	15.0
354.10971	8.3
357.13467	11.4
369.13370	5.1
476.65295	1.0
581.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2038
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
57.38443	1.2
59.01381	10.5
61.98856	1.8
71.01393	5.5
72.99298	8.7
89.02433	7.0
90.26118	1.3
92.22504	2.4
101.02444	2.3
121.02956	1.7
122.03738	3.6
147.04550	1.7
149.02446	7.6
150.02266	2.1
150.03223	74.1
164.04903	5.2
165.05568	100.0
175.03976	11.9
180.04291	10.5
190.06303	12.2
195.06638	30.2
210.76207	1.3
218.05847	1.6
222.05328	7.6
281.15561	1.8
294.08704	1.9
295.09833	1.7
303.17499	1.5
307.06012	3.1
309.07742	1.7
321.07715	21.7
322.08484	2.7
323.09265	7.9
324.06326	5.7
324.10025	3.2
325.07211	20.0
336.09958	2.8
337.07285	21.4
337.10907	2.8
339.08673	22.4
339.19864	2.7
340.09503	16.9
341.10193	2.2
352.09433	5.6
354.10867	2.4
355.11938	22.8
367.11887	41.0
403.25830	1.6
445.13113	2.0
459.14880	1.8
473.11990	2.5
488.14810	3.2
503.17242	8.9
533.18280	30.2
551.19446	19.5
581.19189	63.4
581.26801	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39145	0.3
53.83266	0.3
55.01875	0.5
59.01380	95.7
68.16999	0.4
71.01373	16.1
73.02940	4.7
74.30722	0.4
83.05018	8.0
85.02932	7.9
85.03413	0.4
85.06606	0.6
89.02435	33.2
95.01378	1.0
95.05027	7.0
99.00869	33.0
101.02434	13.9
113.01663	0.7
113.02442	16.2
113.06059	6.0
115.03999	0.7
116.92882	0.7
119.03479	9.4
127.04013	0.9
131.03490	4.3
139.04005	0.5
143.03514	0.6
149.04533	4.2
157.05051	92.5
161.04575	3.7
179.05600	0.8
191.05577	8.0
201.04027	2.9
201.07634	0.9
201.11348	2.9
222.46875	0.4
233.06671	1.0
247.11879	0.9
293.32736	0.5
379.16119	100.0
575.75494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26339	1.2
54.83132	1.1
56.85126	1.2
59.01383	100.0
71.01395	1.1
94.21325	1.4
139.29021	1.4
145.02997	3.2
161.02434	1.9
161.54012	1.2
162.03238	2.3
164.04782	2.7
165.05643	1.4
179.07140	7.8
190.02762	2.8
190.06410	2.6
193.05135	1.6
205.05075	5.5
205.08667	2.5
223.06097	1.8
265.07202	2.5
269.08246	2.3
296.76392	1.5
299.09210	5.4
311.09247	10.1
314.11685	28.8
326.11603	22.4
329.13959	83.8
341.13998	40.3
359.14975	14.8
389.16205	7.7
419.17197	2.4
563.17859	7.7
581.20245	6.1
606.95782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2261
Annotation	Manglieside E
Peak:m/z	Relative Intensity
50.68888	0.6
52.86203	0.7
54.61443	0.6
55.38331	0.7
59.01375	9.3
71.01386	4.0
73.02914	0.9
85.02951	1.5
89.02442	3.3
96.95999	2.0
101.02445	3.9
107.73566	0.9
113.02461	1.8
119.03501	1.1
126.96930	0.9
127.36559	1.0
128.32591	0.8
137.02426	3.6
151.03996	5.2
152.04875	1.1
161.04553	0.9
163.03978	1.3
166.06348	1.6
175.04002	4.3
180.04253	5.2
188.04753	0.8
189.05608	4.8
190.02722	1.8
190.06363	28.3
191.07141	6.4
193.05045	5.6
194.05873	5.5
202.78798	0.8
202.99268	0.8
203.07153	1.6
205.08716	29.4
207.06625	7.1
208.07431	47.6
222.08984	22.2
223.09726	3.2
243.91289	0.8
326.11578	1.5
329.13779	1.1
374.13702	3.8
376.34921	0.9
389.16116	100.0
417.42224	1.0
419.17151	31.6
581.18640	3.7
581.22351	1.6
581.31104	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78585	1.2
59.01382	6.3
71.01377	5.0
75.84308	1.4
84.94897	1.1
85.02962	1.6
96.95998	12.1
101.02454	5.0
119.03436	1.9
137.02380	1.9
137.92555	1.3
142.58800	1.6
151.03986	2.7
162.03276	1.5
167.07181	1.3
174.01323	1.5
175.03935	2.0
180.04294	2.1
189.05592	6.5
190.06366	25.6
191.07141	8.0
193.05121	6.6
194.05795	2.9
200.52367	1.5
203.07066	1.6
205.08713	30.2
207.06657	6.8
208.07410	42.8
222.08958	22.1
281.08188	1.9
314.11514	2.6
326.11728	1.5
327.12372	2.4
329.14014	2.9
343.11761	1.3
355.11990	1.8
374.13718	2.9
389.16135	100.0
419.17181	30.5
463.06506	1.4
476.16977	7.7
488.16980	2.7
491.19366	24.3
503.19284	13.8
521.20337	8.9
521.29431	5.6
581.23090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.06801	1.6
53.22948	1.6
57.16568	1.7
59.01384	100.0
61.98834	1.9
64.12884	2.0
65.28401	1.7
71.01382	44.5
73.02946	4.4
73.85478	2.2
83.01423	2.2
83.52102	2.0
85.02945	9.7
87.00909	3.5
89.02449	54.6
91.75955	2.0
94.16161	2.2
101.02431	29.9
103.61239	2.0
113.02452	21.8
119.03503	19.8
143.03526	4.2
149.02448	3.1
150.03247	17.4
151.04024	2.2
153.05534	3.6
161.04572	3.9
164.04768	2.4
165.05553	36.2
174.26613	2.2
175.03990	4.2
177.05626	3.0
179.05650	13.5
180.04303	3.3
190.06339	5.1
191.05542	2.7
195.06619	4.4
202.06342	2.4
205.05045	4.4
206.08391	2.9
220.07440	10.5
325.13028	3.6
329.13815	3.6
341.10419	10.3
391.83334	2.2
401.16162	32.3
410.18985	2.4
473.18304	13.9
491.19330	3.7
520.28467	2.7
521.28796	28.6
533.20117	10.9
581.22784	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
92.23116	2.8
106.75635	2.6
125.16641	2.1
150.03200	4.3
160.05295	12.0
164.04691	2.2
175.07639	26.8
177.05522	2.7
178.06323	15.0
188.97289	2.2
192.07927	9.9
277.15430	2.2
329.13950	100.0
343.82477	2.6
359.15088	27.3
521.20410	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88380	0.8
55.57588	0.7
56.45597	0.7
57.04037	0.8
57.70483	0.8
59.01379	5.0
64.42962	0.8
68.09612	0.7
71.01373	2.0
72.99311	5.7
73.02956	1.1
79.27633	0.8
85.02944	1.0
89.02445	4.7
91.63457	0.8
93.56347	0.8
95.04071	0.8
99.00864	1.5
101.02429	3.3
113.02452	4.9
116.92887	4.0
119.05027	8.4
120.04518	1.0
145.02965	1.1
147.04523	47.8
150.03180	6.6
151.04031	1.2
153.05688	0.9
160.52654	0.8
163.04019	1.0
164.04840	4.1
165.05563	100.0
175.03960	1.0
178.82376	0.9
180.04292	1.7
188.04703	1.1
190.02736	5.2
190.06352	7.1
191.05592	3.5
195.06757	1.2
195.10249	1.1
205.05066	14.6
205.08687	9.9
207.06673	1.3
208.07420	13.3
222.08990	4.4
223.06116	1.6
236.36275	0.9
249.10934	1.0
324.57089	0.9
359.15283	1.5
367.10410	4.7
374.13654	1.1
389.16144	27.4
415.16394	6.3
419.17343	6.0
491.15704	1.1
517.00885	1.0
521.20062	8.1
581.18719	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23359	1.6
58.04927	1.8
59.01383	99.8
61.35661	1.8
71.01377	54.1
76.80606	2.0
85.02940	11.8
89.02440	86.1
101.02448	31.2
113.02445	32.1
119.03492	37.5
131.03473	2.8
143.03587	2.7
161.04539	10.4
179.05617	62.4
200.94139	2.5
283.09683	4.5
295.09668	2.8
296.10550	2.3
298.12158	3.3
311.09265	70.4
325.10953	3.0
326.11630	100.0
341.13950	69.9
414.34488	2.4
473.99136	2.2
574.58527	2.6
581.31177	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10138	0.6
59.01381	2.9
74.02511	0.9
82.02985	5.5
84.04530	0.9
89.02431	1.1
98.02465	1.6
100.04053	1.5
101.02441	0.9
101.07200	2.8
109.04092	2.8
119.03602	0.8
119.05023	6.3
123.04484	7.7
127.05128	41.2
128.03517	7.8
135.04515	0.8
153.01910	1.1
153.05569	34.4
186.40532	0.8
191.05533	0.9
197.62863	0.9
220.09814	1.0
221.12994	4.8
221.80602	0.7
223.69768	0.7
247.10867	19.2
264.08798	5.4
265.11948	100.0
315.10867	21.3
363.45346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
59.72787	0.3
68.15363	0.3
69.03162	0.4
71.01387	0.4
72.00909	4.2
74.02464	6.3
75.99561	0.4
81.03438	0.5
81.72975	0.4
100.90115	0.4
113.02332	0.5
116.05051	20.6
117.00066	0.4
117.50981	0.4
129.05843	0.6
142.06613	6.8
146.55824	0.4
156.23091	0.4
159.09265	10.3
180.71582	0.4
186.05586	2.2
203.08284	100.0
240.51334	0.4
279.10806	4.7
331.29630	0.5
578.99957	0.5
581.23828	0.8
587.71680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93390	0.9
59.01387	12.5
61.02947	1.8
71.01384	12.0
72.99301	1.7
75.62175	1.0
78.95940	1.4
81.49078	1.0
85.02953	2.2
89.02448	4.9
96.95988	1.1
97.02977	1.2
101.02424	1.3
103.04011	7.0
106.75959	1.2
113.02448	1.3
115.00366	36.2
118.69359	1.2
133.01436	100.0
133.05069	23.4
149.33076	1.4
170.35884	1.3
203.10808	5.0
257.71887	1.2
260.18130	1.1
277.00183	1.2
314.46658	1.2
317.40466	1.2
357.20749	2.1
433.89630	1.4
447.22400	2.1
537.27478	2.3
581.26263	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38024	1.4
54.77977	1.5
59.01382	48.9
61.98806	3.3
69.98193	1.7
71.01385	30.9
71.16534	1.7
73.02946	3.5
77.37929	1.7
77.40627	1.4
78.75402	1.5
85.02953	3.9
89.02438	53.2
97.06618	2.4
99.08160	1.9
101.02440	41.3
113.02448	17.4
119.03498	19.0
125.02464	9.3
131.03503	2.4
143.03510	4.4
151.31552	1.8
153.12849	100.0
160.29759	1.9
161.04549	14.0
164.02299	1.6
178.03247	1.6
179.05620	44.3
179.10789	31.0
190.02713	1.9
191.20465	1.8
191.62134	1.9
197.11835	63.8
197.13554	3.2
205.05075	2.6
221.06619	14.7
222.99927	1.8
227.94850	2.1
244.04677	1.8
282.01337	2.0
323.09863	53.6
341.10904	7.3
521.22510	24.8
563.16888	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2621
Annotation	2'-Norberbamunine
Peak:m/z	Relative Intensity
54.33041	0.9
54.95172	0.8
58.00592	0.9
59.01382	16.9
66.27912	1.1
71.01375	10.7
72.99303	21.7
73.02930	1.5
73.09516	1.0
78.95940	1.2
83.01383	2.2
85.02934	4.3
85.50465	1.0
87.00863	4.2
89.02441	10.6
89.86820	1.1
90.98594	10.3
94.77040	1.2
96.95946	1.2
101.02435	13.4
103.09161	1.0
111.22733	0.9
111.23701	1.0
113.02422	6.5
119.03482	3.7
161.04468	1.5
166.86838	1.0
171.86957	1.0
179.00140	4.0
189.09218	1.3
222.57596	1.0
240.16405	1.0
269.15564	2.3
279.13950	4.0
281.15494	5.5
327.19815	1.1
337.18179	1.3
339.19675	4.4
346.37097	1.0
357.20731	2.5
387.21741	29.0
431.24893	1.9
507.26199	1.7
519.26367	2.3
535.25269	2.3
537.26935	4.0
563.25275	2.3
581.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12453	1.4
61.98807	1.4
71.31233	1.6
73.25954	1.3
73.57118	1.2
74.55251	1.4
78.95900	22.0
89.09826	1.4
96.96938	2.9
98.62684	1.5
130.09607	1.5
152.98329	2.3
152.99586	56.1
203.34502	1.5
223.00102	9.7
241.01199	22.6
265.21738	79.4
269.71265	1.8
315.04800	3.3
334.72900	1.9
581.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29846	0.7
66.39106	0.8
69.86040	0.7
73.97821	0.8
78.95905	23.4
85.79649	0.8
90.44527	0.8
96.96950	4.3
113.86864	0.8
152.99593	59.5
171.00650	1.6
223.00172	8.6
240.98888	1.4
241.01213	22.3
265.21750	86.6
315.04907	4.5
360.12354	0.9
470.99304	0.9
581.27411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2738
Annotation	Aralionine A
Peak:m/z	Relative Intensity
57.70142	0.5
59.01380	0.6
65.41026	0.6
72.74524	0.6
78.95894	25.2
83.38264	0.6
96.96949	6.0
150.97868	0.6
152.99579	52.3
209.96877	0.7
223.00180	1.2
241.01201	35.6
247.20721	0.6
248.36984	0.7
265.21725	95.1
315.04752	5.2
401.20975	1.1
414.32202	0.7
469.09439	0.7
581.27368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2749
Annotation	Aralionine A
Peak:m/z	Relative Intensity
52.38350	3.0
59.01379	20.4
61.98830	19.5
123.36942	3.0
125.72499	3.1
142.34489	2.9
145.65948	2.8
148.25575	4.3
150.84369	4.4
150.85786	3.1
152.99509	4.6
160.83508	3.1
241.13458	4.4
269.63153	3.3
283.35699	3.6
313.11975	4.5
425.72681	3.3
521.34949	4.2
551.42950	3.3
581.27692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2973
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
59.01384	100.0
60.37374	1.3
61.98844	1.9
71.01375	10.6
73.02961	3.4
75.00864	15.2
85.02946	7.6
87.00878	8.2
89.02434	2.3
101.02434	10.3
113.02451	6.9
130.72766	1.5
131.59689	1.3
161.04593	3.0
176.82439	1.5
185.39655	1.4
264.81378	1.5
327.19675	16.9
359.22400	26.5
489.46442	1.9
494.58215	1.6
521.27570	38.8
538.85419	1.9
581.21069	2.0
581.30133	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89127	0.8
59.01371	1.4
68.68674	0.9
71.01381	1.7
73.02943	1.2
78.98601	2.3
79.95731	2.0
80.96509	32.2
94.98093	10.4
101.02441	2.5
103.49538	1.1
109.60000	0.9
122.97575	1.8
125.02444	2.5
134.97586	4.2
136.99091	1.1
148.99103	5.4
152.98601	8.7
152.99570	3.1
164.98637	11.9
182.99658	2.1
206.99698	5.6
207.43457	1.3
212.79060	1.0
212.81248	1.2
225.00764	28.4
243.01749	1.9
281.24881	6.0
299.04395	4.6
369.20801	1.2
544.20532	1.1
581.30078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00368	0.6
59.03414	0.5
60.41167	0.5
60.52417	0.5
61.98825	1.2
71.01368	4.0
73.02966	1.0
73.18866	0.6
73.37451	0.6
78.98579	4.9
79.91006	0.7
79.95740	3.5
80.96511	39.5
81.03455	0.9
81.18516	0.6
85.02950	1.3
87.00856	2.5
92.98824	0.6
93.18537	0.8
94.98075	12.6
96.96008	0.8
97.02917	0.9
101.02417	2.9
106.98096	2.5
122.97563	3.9
125.02422	4.1
134.97575	2.7
136.99129	0.6
148.99153	6.4
152.98628	9.2
164.98621	15.3
167.00252	1.0
170.30847	0.7
182.99677	2.7
190.68454	0.6
206.99698	4.2
224.98569	1.3
225.00746	29.0
243.01723	2.5
281.24896	6.4
293.50583	0.8
299.04440	6.2
362.63278	0.7
581.30072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27450	0.5
53.23677	0.5
56.06369	0.5
59.01359	0.7
61.21521	0.6
64.27339	0.5
71.01376	3.2
73.02943	1.1
74.55073	0.5
76.50869	0.7
78.98591	4.8
79.10232	0.5
79.95728	2.7
80.07782	0.5
80.96517	37.3
85.02935	1.3
87.00862	3.2
94.98073	9.2
96.95988	1.1
97.02933	0.6
101.02439	2.3
106.98046	2.2
122.97564	2.5
125.02449	4.1
134.97566	2.9
136.99178	1.4
147.69426	0.5
148.99138	7.0
152.98660	6.9
161.87596	0.7
164.98645	15.8
206.99721	3.9
225.00778	23.2
245.09196	0.7
256.71124	0.6
281.24863	4.5
299.04483	5.2
345.43753	0.6
581.30078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29915	0.7
55.90360	0.8
56.62612	0.7
59.80491	0.8
62.63326	0.9
62.66536	0.9
67.21095	0.9
71.01373	4.0
73.02917	1.0
78.98596	2.0
79.95744	1.9
80.96517	35.3
85.02954	1.8
87.00858	1.7
94.98072	10.3
96.96005	2.0
97.02942	1.0
99.09942	0.9
101.02434	1.5
106.98061	2.1
122.97578	4.7
125.02415	4.5
126.67274	1.0
127.03958	1.0
134.97581	2.1
136.99205	1.9
148.99088	6.7
152.98608	8.0
152.99672	1.0
164.98650	13.5
182.99699	2.1
206.99684	5.4
225.00758	28.7
255.23468	1.0
281.24792	5.7
299.04428	5.3
461.97476	1.1
490.89395	1.2
581.21625	4.5
581.30090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20402	0.5
69.82957	0.6
71.01397	3.4
72.61076	0.5
73.02959	0.5
78.98587	2.7
79.95748	2.8
80.96512	36.8
85.02924	1.0
87.00854	2.4
94.98079	8.9
97.02929	0.9
101.02435	2.4
106.98066	2.0
113.02449	0.5
115.77410	0.5
122.97561	2.5
125.02420	3.2
134.97565	2.9
136.99155	1.1
148.99149	5.6
152.98642	5.6
164.98633	13.0
169.80731	0.5
206.99744	2.6
225.00760	20.8
265.27298	0.5
281.25027	3.4
281.71674	0.5
299.04382	4.2
420.26422	0.5
442.97519	0.6
581.30109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3009
Annotation	Malyngamide R
Peak:m/z	Relative Intensity
55.86334	0.5
59.01357	0.5
60.14903	0.6
71.01377	3.6
73.02947	0.6
78.98586	3.4
79.95741	3.5
80.96511	36.6
85.02930	0.8
87.00871	2.5
94.98077	12.2
97.02963	0.7
101.02404	1.4
106.98075	2.6
122.97580	1.3
125.02436	3.6
127.04037	0.9
134.97586	3.5
136.99088	1.3
148.99129	6.8
152.98627	6.0
164.98640	14.0
206.99696	4.3
225.00745	20.3
281.24908	3.5
299.04468	5.4
581.30090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64440	0.6
59.01370	1.8
61.98830	12.2
62.78263	0.8
71.01376	3.9
78.95889	1.3
78.98588	3.4
79.95728	3.4
80.07151	0.9
80.96508	38.8
85.02940	1.1
87.00858	3.3
94.98072	12.2
96.95995	6.0
97.02930	1.1
101.02403	1.4
115.40347	0.8
122.97543	2.0
125.02423	4.1
134.97563	4.8
136.99057	0.9
148.99132	7.0
152.98605	8.4
152.99657	1.4
164.98608	14.6
182.01015	1.0
182.99684	1.4
191.34073	0.8
204.68840	0.9
206.99663	4.2
225.00716	25.3
243.01796	1.5
254.97945	0.8
255.23254	1.9
266.09506	0.8
279.23282	1.6
280.23599	1.5
281.24692	3.8
299.04395	4.3
313.46722	0.9
337.23270	0.9
369.16882	0.9
507.32068	1.8
581.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24309	0.7
71.01383	3.8
72.43469	0.8
78.98588	3.8
79.95740	3.7
80.96515	36.9
85.02950	1.7
87.00868	1.0
88.24224	0.7
94.98071	9.6
101.02426	2.8
106.98092	1.6
122.97563	1.2
125.02406	3.6
134.97572	3.9
136.99135	0.9
140.38573	0.7
145.75394	0.8
148.99130	4.6
152.98653	6.8
152.99663	0.9
164.98637	16.7
176.82037	0.7
182.99657	1.3
206.99693	4.7
225.00772	22.7
243.01929	1.1
280.92398	0.7
281.24875	5.4
299.04425	6.5
581.30090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86792	0.6
55.86077	0.8
57.03434	1.0
59.01104	1.1
59.01380	26.3
63.39273	0.6
71.01373	21.9
73.02946	10.1
83.01382	6.1
85.02939	11.2
89.02422	8.3
99.00854	5.1
101.02435	33.6
103.04021	0.9
113.02438	16.0
125.02425	1.3
131.03453	1.3
133.59947	0.8
143.03522	1.4
153.87109	0.7
159.03027	3.7
161.04535	10.0
177.35356	0.8
242.56302	0.8
250.06952	0.9
375.23892	8.6
377.99533	0.9
382.45947	0.9
521.29700	100.0
544.85614	1.0
548.16272	0.9
581.31897	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.4
59.01381	24.6
71.01376	23.7
71.72643	0.7
72.99303	1.0
73.02946	11.5
73.79832	0.7
83.01387	6.7
85.02956	12.6
87.00849	1.6
89.02461	5.2
96.96017	13.3
97.02975	0.9
99.00861	5.8
101.02432	33.6
112.18472	0.7
113.02440	16.3
125.02400	1.1
135.60283	0.8
139.11429	0.8
143.03542	0.8
159.02972	3.3
161.04538	7.7
219.84991	0.8
375.23889	9.9
440.31366	0.9
521.29730	100.0
523.27808	0.8
581.32117	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57242	0.9
59.01381	26.4
71.01373	24.2
73.02949	14.4
77.90451	1.2
83.01389	5.9
85.02955	9.1
87.00863	2.0
88.47686	1.2
89.02445	7.8
99.00878	5.7
101.02438	38.6
103.04037	1.2
111.00871	2.0
113.02443	10.2
119.03510	1.2
159.03043	1.3
161.04517	9.3
180.89262	1.2
246.61481	1.3
312.92776	1.2
329.14197	1.2
361.66718	1.4
375.23856	6.4
408.15402	1.3
521.29773	100.0
581.18610	1.9
581.32605	2.8
593.42627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23185	0.6
59.01382	3.8
61.00512	0.6
61.98833	100.0
62.98744	0.6
78.95914	5.2
80.96512	5.3
91.23849	0.7
91.98331	0.6
94.98100	1.0
112.36814	0.7
116.99310	0.6
152.99620	1.5
154.57266	0.7
161.75604	0.7
164.98636	1.6
168.04395	0.9
177.93715	0.7
216.76047	0.7
224.06883	1.3
225.00723	1.4
279.23285	10.8
280.20749	1.3
280.23657	23.4
281.23901	13.2
282.24210	9.2
504.30997	3.0
505.31305	4.5
506.31693	5.4
507.31860	29.3
560.65552	0.8
581.30725	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70508	1.4
70.02962	20.2
72.00904	8.1
80.12358	1.4
87.05665	1.8
95.02452	2.0
96.00909	21.0
113.03564	55.8
114.01958	63.9
123.05649	11.9
131.04616	100.0
132.03026	12.3
143.04626	11.8
149.03548	11.7
157.06160	3.0
167.04607	10.8
176.76462	1.6
185.05753	2.8
211.03586	37.9
229.04649	64.1
247.05734	90.2
449.13449	2.2
473.87524	2.0
502.16284	3.0
546.14954	3.3
564.16577	4.3
591.45673	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07621	1.7
59.01390	5.0
59.29487	1.8
70.02984	17.2
72.00912	10.1
74.01962	1.8
84.71906	2.3
92.76031	2.1
96.00919	25.2
99.00866	2.4
109.74926	2.1
111.01998	2.4
113.03566	40.8
114.01962	64.4
123.05640	3.1
131.04619	100.0
132.03001	15.4
143.04633	14.1
149.03552	11.5
157.06206	3.8
167.04616	15.0
175.01477	2.0
185.05710	2.8
186.53899	2.0
193.02533	3.0
211.03650	33.9
218.95775	1.9
229.04674	60.4
247.05745	86.2
307.08517	2.7
473.32513	2.3
564.16467	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33213	0.6
56.96373	0.7
59.25629	0.7
59.28053	0.7
64.39728	0.8
68.36909	0.8
72.09946	0.8
72.99309	13.8
74.02470	30.4
86.02488	8.8
91.05489	2.2
123.04536	3.7
132.08192	5.7
135.04515	3.9
147.04517	25.3
149.06053	3.9
160.07628	1.2
176.07159	3.6
178.08725	18.6
179.03497	17.6
197.04581	47.1
222.07744	100.0
238.51498	1.0
359.09897	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41919	0.4
59.01382	7.5
61.98843	0.5
67.01189	0.5
77.01846	0.4
78.95903	3.8
108.23988	0.4
134.92256	0.4
146.12859	0.4
150.72165	0.5
152.99559	1.6
213.15077	0.4
224.06874	0.8
242.08066	0.7
248.61276	0.5
283.26450	100.0
393.28412	0.6
428.67487	0.5
508.34140	47.1
582.36926	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99679	0.3
59.01379	7.5
60.59164	0.3
64.94151	0.3
66.10739	0.3
66.96719	0.3
75.72160	0.3
78.95897	6.1
100.14252	0.4
126.18977	0.4
152.99559	2.5
168.04361	2.9
171.65204	0.3
178.38921	0.4
192.34526	0.4
215.49144	0.3
224.06955	9.3
241.31035	0.4
242.07967	1.9
248.49902	0.4
283.26434	100.0
402.55441	0.4
508.34116	56.6
582.37512	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.9
97.06593	4.3
111.08150	0.9
125.09721	47.8
137.46111	0.8
152.10838	1.2
153.12868	4.0
167.14343	1.4
181.15990	14.7
186.11363	30.9
194.54993	0.8
197.11842	3.8
208.17096	1.2
211.13420	5.0
214.14528	4.1
225.14980	30.8
228.16020	5.1
228.58011	0.8
229.14500	3.2
242.17625	24.0
243.16071	6.6
247.36377	1.0
322.20261	4.4
339.22961	24.1
353.24551	3.6
367.26077	3.2
395.29248	13.2
423.32355	1.2
582.41345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16867	0.6
62.81057	0.5
90.95922	0.6
97.06606	0.6
97.65329	0.7
102.43181	0.6
111.08156	5.0
111.45665	0.6
125.08820	1.3
125.09712	24.9
133.04349	0.6
153.12839	12.6
167.14377	5.1
172.09763	5.3
186.08791	0.8
186.11349	16.2
197.11841	21.3
211.13434	12.1
214.14507	19.5
215.12865	5.4
228.16087	8.3
229.14481	3.3
336.21832	1.3
350.23523	2.4
353.24472	7.7
367.26071	15.2
395.29138	8.3
409.30670	2.6
503.13937	0.8
525.23682	0.6
582.41339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
92.57417	0.5
97.06564	2.9
122.77289	0.6
125.09715	41.4
129.27394	0.5
139.11288	11.0
142.12384	1.0
153.12845	9.5
180.13976	0.9
183.10254	8.2
186.11363	28.8
186.13016	1.0
194.15451	0.8
197.11858	14.0
200.12959	11.2
201.11324	1.4
214.12563	0.7
214.14517	15.5
215.12912	6.6
315.21808	0.6
334.27682	1.1
350.23236	0.7
364.24942	1.1
366.09528	0.6
367.26044	14.0
377.28329	0.8
377.43341	0.7
378.26703	2.2
381.27652	9.8
395.29205	17.9
582.41315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43940	0.8
54.54415	0.8
59.01400	1.4
65.00311	1.2
74.87765	1.0
79.01865	1.0
84.28980	0.9
85.02965	8.6
97.02938	12.5
107.90903	1.0
109.02939	2.0
121.02953	11.2
124.47903	1.0
127.04005	1.9
149.02431	4.3
155.08575	1.1
157.06581	3.8
165.01926	19.4
171.04532	5.3
173.06073	8.1
175.04025	2.3
175.07664	1.8
176.01120	8.2
177.01978	10.2
183.03046	2.0
183.08159	1.8
185.06099	4.3
193.01434	8.9
193.06636	1.2
197.09703	1.2
199.04037	3.8
199.07623	1.1
203.07182	2.0
209.06107	4.8
211.07643	1.5
213.05635	6.1
217.08624	1.3
225.05603	7.1
227.07150	10.4
239.10753	1.3
240.08350	1.2
241.08722	7.9
243.06630	8.9
245.08208	32.1
253.05052	15.3
255.06631	2.3
271.06125	6.4
281.04575	31.7
283.06104	8.3
283.09781	21.5
299.05646	100.0
301.07639	1.7
301.10846	30.1
565.15137	1.7
583.16266	19.7
583.25934	1.4
583.28406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1614
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
57.03450	1.4
58.75431	0.7
59.01366	1.4
71.05029	1.6
75.92591	0.9
78.69171	0.7
78.95908	4.9
82.96105	2.1
85.02928	7.6
93.29510	0.9
108.64902	0.9
109.02952	2.2
111.00836	1.3
111.04486	1.2
113.02448	1.1
125.06088	1.0
127.04021	14.5
147.08226	1.5
149.06094	1.4
151.04018	3.8
152.04767	5.5
152.99612	9.3
157.06633	1.4
166.99831	0.9
169.04985	2.0
173.06075	16.3
187.87694	0.9
197.09747	1.7
217.08701	1.2
225.05582	6.1
239.10797	6.1
241.01224	4.4
241.08736	16.8
242.09430	1.4
245.08186	22.3
253.05057	10.0
255.10304	1.0
257.08267	1.8
257.11783	4.5
259.09824	3.2
267.23297	17.0
281.01477	2.0
281.04556	41.7
282.05264	0.9
283.09766	36.6
286.08609	1.1
291.96860	0.9
300.57404	0.9
301.10834	50.2
305.08176	1.6
309.07779	1.2
335.05859	1.1
337.07120	2.0
349.07141	1.2
523.14130	12.8
565.15222	4.0
583.16168	100.0
583.28912	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74461	0.5
51.80969	0.5
85.02936	1.0
90.74008	0.6
113.02450	100.0
125.02386	0.8
137.02486	0.7
138.03198	0.9
139.04041	1.5
145.02937	2.7
152.04787	1.4
160.66786	0.7
181.05096	4.7
195.06609	6.6
207.06799	0.7
208.34790	0.6
209.08199	1.6
307.08292	7.0
340.28564	0.7
361.12878	1.3
375.14404	1.4
391.14035	10.0
406.16461	9.0
421.18744	32.1
469.13571	1.1
495.77109	0.7
541.08521	0.6
586.70581	0.8
592.19965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1988
Annotation	6''-Demethoxyneocalycopterone
Peak:m/z	Relative Intensity
52.00314	2.0
59.21597	2.0
59.24987	1.6
62.42245	2.4
66.14947	2.3
66.22506	2.3
67.42619	2.1
78.95908	32.0
99.92612	2.1
100.93363	3.6
115.92063	13.3
116.92868	19.0
119.68083	2.5
152.99588	29.6
164.90475	4.7
171.00620	3.1
178.88449	4.9
179.89247	20.4
180.89977	14.0
196.89481	26.2
205.90683	3.3
218.46179	2.1
235.91878	11.9
236.92647	10.1
255.23288	11.9
281.04590	3.9
283.09833	5.1
301.10779	2.9
583.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
73.76960	1.3
78.95903	40.0
78.96358	1.7
82.88113	1.4
85.02966	2.5
96.62415	1.5
96.96952	1.6
99.92578	5.9
100.93341	11.0
104.53598	1.5
111.75992	1.4
115.92078	14.6
116.92859	24.7
127.03968	5.4
129.39325	1.4
150.98050	5.4
152.98459	2.6
152.99585	34.5
164.90504	2.6
171.00636	6.5
172.95462	6.7
173.06071	6.2
178.88431	6.6
179.89244	21.0
180.89999	21.1
181.90710	2.4
196.89508	33.2
205.90800	6.5
206.91515	3.4
218.91638	1.7
234.90956	1.7
235.91805	12.2
236.92630	12.4
241.08751	11.6
243.06575	3.3
245.08205	9.9
247.97647	1.5
252.92000	1.8
253.04982	2.7
255.23201	11.2
257.08005	2.6
275.57996	1.8
281.04535	18.7
283.09790	14.8
285.07806	2.4
301.10822	23.0
309.95563	1.9
475.15936	1.6
523.14081	2.2
582.07867	1.8
583.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48575	2.2
59.76946	2.7
68.92929	3.1
78.95905	40.2
99.92591	2.8
100.93377	5.1
107.51423	2.8
109.58826	3.2
113.66143	2.8
115.92069	19.8
116.92847	15.1
152.99564	35.0
171.00661	3.9
178.88431	4.5
179.89218	17.1
180.90027	15.4
181.90782	3.2
196.89484	30.1
205.90843	6.0
219.92613	3.3
235.91798	4.9
236.92694	14.7
255.23351	4.7
301.10925	3.9
326.58594	3.6
386.69879	3.3
507.94690	3.0
532.52527	3.1
583.20001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
65.70655	0.8
66.87806	0.8
71.01382	3.3
75.23846	0.8
75.38716	0.7
78.95900	37.1
80.96517	11.8
82.96102	11.9
82.96918	1.3
83.92984	0.8
85.02971	1.1
87.36705	0.9
94.98087	5.0
96.97656	1.7
99.92575	6.3
100.93363	8.1
101.02465	1.5
115.92080	19.7
116.92850	19.6
124.97172	1.2
125.02460	1.2
150.98041	4.7
152.98499	1.8
152.99600	24.5
153.98889	0.9
154.98180	2.2
163.89729	1.3
164.90523	5.0
164.98610	4.4
166.98164	2.0
171.00682	4.1
172.95583	2.0
178.88437	5.2
178.92059	1.0
179.89217	16.9
180.90007	17.1
181.90779	6.1
196.89502	22.5
203.39139	0.8
205.90834	7.9
206.91594	5.2
208.99199	1.0
218.91626	4.1
219.92307	1.8
221.90294	0.9
225.00781	7.2
226.01067	1.1
227.00258	7.7
234.91022	1.4
235.91805	7.9
236.92586	12.6
241.91679	0.9
245.01489	0.9
255.23274	9.9
281.24835	1.8
301.04532	1.4
411.18887	1.0
419.12952	1.1
435.12500	1.4
445.57654	0.9
475.15857	3.5
492.16272	1.1
547.17999	2.0
583.19904	100.0
583.30292	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73797	1.0
71.90137	1.1
78.95901	26.8
96.96968	1.2
97.25177	1.3
99.92596	1.9
100.93360	9.0
102.02452	1.0
114.17744	1.4
115.92064	15.4
116.92849	19.5
118.32664	1.0
130.96126	1.2
150.98018	2.3
152.99594	31.0
164.90572	2.8
171.00652	4.9
172.95407	1.8
178.88416	5.8
179.89226	16.4
180.90010	14.5
181.90756	2.6
196.89502	24.6
201.16617	1.3
205.90802	6.5
206.91566	2.8
218.91615	2.5
235.91890	9.4
236.92549	13.6
252.92171	1.7
255.23346	11.0
275.20428	1.4
293.21149	2.0
420.24176	1.4
475.15860	1.5
480.96246	1.6
492.16287	1.3
583.19867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37978	0.9
71.01373	2.1
73.02901	1.1
74.34573	1.2
74.35066	0.9
78.95893	34.4
78.98582	1.0
79.95728	1.4
80.96516	18.4
80.98153	1.6
82.96099	13.1
94.98076	6.2
96.96979	1.4
96.97633	2.3
99.92585	5.9
100.93348	7.4
101.02449	1.4
105.04913	1.0
106.98062	1.2
115.92081	23.3
116.92842	18.4
125.02407	1.5
148.99132	1.3
150.97922	2.4
152.98512	1.8
152.99593	22.0
154.48257	1.0
154.98195	1.5
163.89653	2.0
164.90533	4.1
164.98636	5.5
166.98163	4.5
178.88414	6.3
179.89207	15.9
180.89978	15.9
181.90771	8.8
194.87988	1.0
196.89496	28.3
205.90756	7.2
206.91515	2.1
218.91507	1.6
219.92418	1.8
225.00749	6.4
226.01048	1.6
227.00255	9.0
235.91805	6.1
236.92650	10.7
252.91936	1.3
253.92960	1.2
255.23238	10.9
301.04160	1.6
334.26297	1.1
344.78738	1.2
403.26422	1.4
419.13290	1.6
547.17871	1.3
583.19873	100.0
583.30267	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30920	1.1
55.43163	1.5
56.25732	1.2
57.87926	1.4
59.01357	1.3
64.84501	1.8
68.80341	1.3
70.46947	1.5
74.35596	1.4
78.95906	34.9
94.98070	2.1
98.07952	1.5
99.92538	1.5
100.93344	9.0
115.92062	18.1
116.92864	16.6
122.20937	1.6
134.88310	1.4
145.17419	1.6
150.97948	2.0
152.99593	28.0
164.90410	3.1
171.00644	6.6
172.95580	2.4
178.88402	2.8
179.89194	17.2
180.90024	14.5
181.90828	2.0
196.89470	25.6
205.90762	6.6
206.91650	2.6
207.19960	1.7
235.91829	9.2
236.92628	13.0
255.23309	8.3
583.19849	100.0
583.66449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12322	0.6
60.08607	0.7
60.58334	0.7
65.37796	0.7
68.75097	1.0
76.81252	0.7
78.95898	33.9
80.96516	1.2
84.84803	0.8
96.96036	1.3
96.96947	1.3
99.92583	4.6
100.93338	11.1
102.65248	0.7
115.91335	1.3
115.92063	16.2
116.92850	15.2
150.98016	5.3
152.99571	21.3
162.89001	0.8
163.89734	3.8
164.90498	4.5
171.00610	1.4
172.95430	1.4
178.88449	6.6
179.89201	13.8
180.89998	15.8
181.90735	7.6
196.89479	20.1
205.90799	7.3
206.91542	4.6
218.91583	1.3
219.92340	1.7
220.93269	1.1
221.90315	1.3
229.61554	0.8
234.91261	1.1
235.91908	6.8
236.92677	8.6
255.23291	10.9
287.09167	1.1
296.70218	1.0
306.38663	0.8
336.39548	1.0
391.07013	0.8
435.11847	0.9
475.15591	1.5
517.16534	0.9
544.12756	0.8
547.17871	1.2
583.19952	100.0
583.30267	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.199
Annotation	6''-Demethoxyneocalycopterone
Peak:m/z	Relative Intensity
54.06290	0.7
70.12573	0.8
78.95903	31.6
80.96503	1.8
96.96999	1.2
98.15946	0.9
99.92575	4.0
100.93358	9.8
115.92078	21.0
116.92856	17.3
121.10251	1.9
131.03099	0.9
134.83362	0.9
150.98007	2.2
152.99608	24.8
155.95230	1.1
163.89612	1.8
164.90480	3.7
171.00648	1.7
178.88422	4.8
179.89241	16.4
180.89999	17.2
181.90784	10.8
196.89517	21.7
205.90898	6.6
206.91545	4.2
219.92339	1.2
220.93166	1.1
234.91011	1.3
235.91843	6.7
236.92670	10.3
237.76480	1.3
255.23253	7.2
291.19684	16.2
297.19897	1.2
475.15256	1.6
525.50714	1.2
535.17615	1.2
583.19965	100.0
583.30072	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05610	0.5
55.35964	0.5
57.03444	0.6
59.01386	6.3
60.17295	0.5
71.01398	0.9
72.99306	53.2
74.58849	0.6
76.42944	0.6
83.01353	0.9
89.02427	0.6
96.96004	0.9
97.02934	0.8
101.02430	3.4
109.02939	0.8
109.06577	0.9
118.84560	0.7
123.04512	12.3
127.72441	0.7
135.04530	18.4
137.09729	2.8
149.98077	0.6
150.59955	0.7
151.04044	0.7
161.09792	1.2
163.07664	2.6
165.09152	0.8
179.03505	56.4
179.10760	3.0
181.08705	4.0
197.04564	60.6
197.11850	1.6
203.10796	0.7
215.05762	0.6
223.09680	1.0
234.47531	0.7
247.03783	0.7
247.09711	0.8
393.89325	0.7
562.78619	0.7
565.19324	1.4
583.20428	100.0
583.28613	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96710	1.1
59.01385	5.6
73.86655	1.2
78.95907	2.1
92.23112	1.9
101.56154	1.1
107.37831	1.2
113.06538	1.1
121.63124	1.1
122.03719	4.4
149.02451	6.6
150.03217	72.5
152.99593	1.5
164.04778	2.8
165.05559	100.0
167.44205	1.1
180.04324	5.0
195.06638	42.1
200.38232	1.2
247.67519	1.3
283.09689	1.7
322.08453	1.4
323.09296	5.2
327.08847	11.6
339.08783	15.2
342.10883	10.4
356.63138	1.2
357.13516	18.7
369.13458	21.7
416.34793	1.2
535.19879	4.4
551.35590	1.5
583.21198	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56267	1.3
59.01387	23.0
71.01381	16.0
71.46094	1.4
73.02943	12.1
83.01391	2.0
85.02935	2.0
86.37329	2.0
89.02443	9.3
101.02441	7.9
113.02460	10.8
120.66597	1.7
121.02917	2.9
122.03727	15.0
135.04552	6.8
136.01666	3.4
149.02423	21.4
150.03229	85.3
151.03983	17.7
152.43216	1.8
161.04558	2.7
164.04797	13.0
165.05568	100.0
166.02721	3.8
167.03485	1.9
175.04056	2.5
180.04271	6.6
181.05101	14.0
190.06369	8.4
195.06651	36.3
224.95300	1.8
238.86717	2.1
317.21259	2.3
323.08960	1.7
342.11050	2.1
356.12619	2.0
357.13513	5.5
372.12201	2.5
387.14551	31.9
458.74496	2.3
479.26572	6.2
497.27792	9.3
511.12415	1.9
535.19800	50.6
539.28571	27.6
583.21942	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.219
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
52.08553	1.3
59.01382	1.8
61.26204	1.1
62.82561	0.9
67.25784	0.9
67.34870	1.1
72.70589	1.3
85.04406	1.1
111.00762	1.0
112.63096	1.2
118.22540	1.2
121.02859	1.6
121.45563	1.4
122.03697	1.9
132.01015	1.2
136.01660	2.7
149.02467	5.6
150.03224	67.7
151.04012	7.1
164.04745	2.2
165.05576	100.0
166.02818	1.8
180.04330	8.4
181.05074	6.5
195.06642	47.5
195.08339	2.6
333.96970	1.4
357.13605	2.6
387.14523	15.2
445.36279	1.5
535.19781	2.7
583.21887	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68804	0.9
59.01373	1.8
67.53114	0.8
80.27713	0.9
93.28506	1.1
122.03754	4.7
133.02908	1.2
136.01645	1.2
137.65843	1.0
141.73619	1.1
147.42906	1.1
149.02441	17.6
150.03217	67.6
164.04823	8.6
165.05557	100.0
180.04314	8.9
186.80904	1.0
190.06407	1.4
193.77512	1.0
195.06639	35.4
213.09428	1.0
216.55446	1.0
272.14349	1.3
297.11197	1.5
308.10364	1.3
309.07898	1.2
311.09134	1.3
323.09308	3.9
325.10684	1.7
326.11642	5.0
327.08847	8.3
339.08768	14.1
341.13806	1.3
342.11154	9.5
354.10992	1.7
357.13544	17.2
369.13428	19.1
389.37421	1.1
461.16147	2.0
505.18924	4.6
535.19769	41.3
583.21497	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2193
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
50.90409	0.7
56.03821	0.8
74.12364	0.8
88.58701	1.1
122.03716	4.7
131.24294	0.9
137.74982	1.0
149.02448	18.4
150.03224	79.9
151.53754	1.0
164.04778	7.2
165.05563	100.0
173.68333	0.9
177.05597	1.1
180.04303	9.9
195.06650	34.7
217.81732	0.9
283.09650	1.2
308.10336	1.7
312.06320	1.0
323.09427	6.7
324.10083	1.7
325.10867	2.2
326.11606	9.4
327.08871	10.3
339.08762	16.3
342.11020	9.8
354.10995	4.2
357.13446	17.0
369.13538	19.4
457.12845	1.7
461.15939	3.9
472.14841	1.1
489.15543	1.3
505.18628	1.8
535.19794	45.5
553.20050	1.0
583.21887	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
50.85431	1.1
51.86035	1.2
53.00098	1.7
59.01385	55.7
61.98832	12.9
71.01378	1.7
85.03000	1.3
97.37585	1.5
101.02431	4.9
106.04408	1.3
112.48844	1.3
113.38100	1.6
149.02446	16.6
150.03221	67.8
159.10268	100.0
161.04578	1.7
164.04762	9.2
165.05569	94.7
180.04214	9.6
195.06665	36.4
240.09392	1.5
283.09671	1.9
292.00677	1.4
323.09143	5.1
324.10001	1.4
325.10645	2.4
326.11636	6.2
327.08710	6.9
339.08679	10.5
342.11450	11.0
354.11325	2.1
357.13583	15.1
369.13382	17.8
390.03671	1.8
421.54495	1.8
423.22443	20.4
489.15073	1.6
505.05988	1.6
505.18298	1.8
517.19135	1.5
535.19794	41.7
583.21954	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	87.1
61.51886	3.5
70.50993	3.5
70.80333	3.2
71.01379	100.0
72.99309	3.8
73.02947	18.0
79.32558	3.4
82.32682	3.8
85.02950	14.1
89.02433	95.3
92.23041	4.4
97.02933	4.8
99.00868	4.5
100.38593	4.3
101.02448	56.0
113.02460	35.0
114.59312	3.9
115.04042	30.3
116.34538	3.3
119.03510	32.6
133.01421	21.0
139.06876	3.4
161.04526	5.9
179.05649	25.8
188.70731	3.5
259.08292	66.2
263.11444	25.2
425.16714	77.5
523.20325	22.9
583.15918	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84513	1.3
56.34950	1.2
57.45208	1.1
58.77604	1.2
58.97016	1.3
59.01379	76.3
63.67736	1.4
71.01375	79.0
72.99316	1.9
73.02944	11.1
73.03313	1.2
73.38819	1.4
85.02939	15.9
87.00854	1.4
89.02439	53.9
89.29736	1.4
92.75531	1.4
95.01353	2.6
97.02425	1.4
97.02929	14.2
99.00865	3.4
101.02446	48.1
109.33234	1.5
113.02444	37.1
115.04001	35.2
119.03488	19.0
136.95015	1.6
139.33974	1.4
145.79665	1.5
161.04547	11.3
179.05716	2.3
259.08231	58.9
263.11371	100.0
277.09219	11.2
332.83759	1.6
425.16711	8.6
523.20422	30.9
591.72021	1.7
614.36615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11942	0.9
56.27597	0.9
56.76371	0.9
72.99313	1.7
73.23888	1.0
96.00883	1.2
104.73514	0.9
125.02483	1.3
132.02979	2.1
137.02393	7.4
138.03242	2.0
139.03995	5.5
151.03967	1.9
152.04771	5.8
179.03470	1.8
180.04178	1.3
181.05077	14.0
184.03902	1.4
188.90434	1.0
195.06641	23.9
203.48560	1.1
209.08211	2.6
221.08366	1.3
248.04161	1.2
253.10986	1.1
283.39603	1.1
361.12872	10.2
373.13043	1.4
375.14468	4.2
391.14020	24.9
406.16409	29.8
421.18704	100.0
549.75562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
59.01093	1.2
59.01386	17.3
67.58807	0.8
71.01379	10.8
73.02963	1.7
77.36827	0.8
83.01418	1.2
85.02950	1.9
89.02439	5.3
99.00837	1.1
101.02428	7.7
111.93075	1.0
113.02416	1.8
137.02463	2.2
138.03200	1.3
139.03987	1.7
152.04781	2.0
163.03951	1.2
177.05525	2.1
180.04224	2.0
181.05145	8.1
195.06624	13.4
207.06670	1.5
223.48778	1.1
308.63580	1.0
339.77075	1.2
361.12811	1.6
373.12894	1.4
375.14130	1.1
388.15637	1.5
391.14117	9.0
403.17688	1.4
406.16394	18.0
421.18784	16.7
583.24066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45703	0.5
97.90208	0.5
101.29284	0.6
107.17437	0.6
125.02438	2.1
129.24811	0.5
137.02448	7.1
138.03233	3.0
139.03952	4.9
151.04033	2.9
152.04822	5.0
166.06351	0.6
180.04260	0.5
181.05092	12.3
194.05872	1.3
195.06638	21.3
195.08350	1.0
207.06702	2.6
209.08246	5.8
221.08234	0.7
253.10933	1.0
332.96420	0.6
361.13013	7.0
375.14481	3.4
385.52139	0.6
391.14026	22.1
406.16385	27.0
421.18744	100.0
583.23499	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23610	1.7
59.01103	3.1
59.01383	69.8
60.01735	1.7
71.01370	37.6
73.02945	35.0
83.01383	9.6
85.02945	11.9
89.02436	22.1
95.01408	2.0
101.02435	36.5
113.02428	29.2
119.03490	12.2
122.03722	12.7
133.02950	2.5
135.04532	9.1
136.01668	3.5
149.02438	14.7
150.03218	75.8
151.04002	12.9
155.69690	2.0
161.04552	4.8
163.14014	2.0
164.04785	4.8
165.05548	100.0
166.02780	3.5
167.03566	2.8
179.05629	3.4
180.04282	9.7
181.05086	13.7
183.85461	2.0
189.05580	3.7
190.06273	3.5
195.06618	34.0
197.96727	2.1
250.24748	2.2
258.63501	2.1
317.21198	12.5
357.09610	3.2
387.14682	21.4
479.26627	30.2
497.27264	20.4
499.78619	2.4
535.19873	55.2
539.28723	81.0
575.60931	2.2
583.21887	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01376	6.2
82.37827	3.1
85.28194	2.5
85.30051	2.7
91.37971	2.4
101.02426	3.1
169.25484	3.0
176.04808	4.1
179.03560	5.0
194.05864	32.2
205.12309	6.0
209.06470	3.4
209.08215	87.6
257.35870	3.2
376.22440	13.1
472.85950	2.8
491.22604	6.1
523.25330	34.8
539.28638	17.3
583.26392	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.8
59.01384	100.0
61.98844	19.1
63.47373	2.0
63.47958	2.2
71.01379	10.6
73.02933	4.5
81.92858	2.5
85.02950	11.5
87.00877	25.9
88.70233	2.2
92.73386	2.5
101.02454	14.8
113.02451	6.4
191.05597	3.5
214.20798	2.7
231.65730	2.8
269.04437	4.8
361.23697	3.2
423.78400	3.2
462.08578	2.7
479.26563	46.8
486.07837	2.9
497.27100	4.3
510.14627	3.0
539.28705	74.5
569.80298	2.7
583.22992	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.8
59.01384	100.0
61.98844	19.1
63.47373	2.0
63.47958	2.2
71.01379	10.6
73.02933	4.5
81.92858	2.5
85.02950	11.5
87.00877	25.9
88.70233	2.2
92.73386	2.5
101.02454	14.8
113.02451	6.4
191.05597	3.5
214.20798	2.7
231.65730	2.8
269.04437	4.8
361.23697	3.2
423.78400	3.2
462.08578	2.7
479.26563	46.8
486.07837	2.9
497.27100	4.3
510.14627	3.0
539.28705	74.5
569.80298	2.7
583.22992	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2892
Annotation	Methyl ganoderate F
Peak:m/z	Relative Intensity
56.19228	1.1
62.75782	1.0
69.50749	1.0
78.95904	16.1
82.96092	5.3
96.96934	5.4
96.97557	1.1
152.99594	39.3
166.98219	1.5
180.19260	1.1
219.49997	1.2
223.00099	1.4
241.01239	26.7
250.45372	1.2
252.51717	1.3
262.04166	1.0
267.23325	85.5
285.99249	1.1
315.04874	6.9
348.46524	1.3
369.89719	1.0
454.05338	1.3
488.87671	1.3
583.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2896
Annotation	Methyl ganoderate F
Peak:m/z	Relative Intensity
55.54535	0.8
57.40879	0.7
78.95905	21.6
78.96354	1.1
90.96701	0.7
96.96972	7.4
102.68718	0.7
152.99593	52.0
171.00685	0.8
223.00037	1.2
241.01221	36.0
241.03670	1.4
241.08855	0.8
259.02194	1.1
267.23315	100.0
281.04572	1.5
283.09891	1.6
301.10974	2.8
305.84778	0.8
315.04831	6.8
403.22467	1.4
583.16156	5.2
583.28955	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77206	0.7
55.59990	0.6
56.00064	0.7
62.24419	0.7
75.32091	0.7
78.57271	0.7
78.95903	21.0
93.47501	0.8
96.96978	6.3
143.79980	1.0
149.67159	0.9
152.99586	64.6
168.66382	0.8
171.00571	2.8
185.35330	0.8
223.00175	9.4
241.01187	18.4
267.23318	93.5
301.10727	1.3
315.04907	6.9
327.17502	0.8
433.21283	0.8
549.83197	0.8
583.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59309	1.1
75.82417	1.2
78.95900	24.1
89.97227	1.3
96.96931	3.4
152.99582	67.3
171.00603	2.5
194.07172	1.5
223.00198	10.8
241.01190	21.4
267.23306	95.6
315.04965	5.5
560.96704	1.6
583.28918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2893
Annotation	Scutianine K
Peak:m/z	Relative Intensity
50.42594	0.9
58.72652	0.8
62.29762	0.9
62.92583	0.9
78.05747	0.9
78.95904	20.5
92.23089	1.2
96.96957	6.0
105.78819	1.0
117.99903	0.9
123.05213	1.1
152.99586	61.4
171.00548	1.1
174.67039	0.9
176.14957	1.0
205.18265	0.9
223.00180	8.7
240.98912	1.2
241.01207	19.8
267.23303	83.1
270.24158	1.0
287.35663	1.2
315.04819	5.0
391.55099	1.1
401.32202	1.0
583.28955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2896
Annotation	Scutianine K
Peak:m/z	Relative Intensity
55.94373	1.7
56.08765	1.9
59.32336	2.0
64.76994	2.5
73.33099	2.4
78.95895	30.2
78.96311	2.9
82.96092	2.4
96.96928	2.8
116.92776	3.4
133.35661	2.2
152.99585	62.2
178.47281	2.2
213.66403	2.7
241.01170	30.0
265.72046	2.3
267.20578	4.6
267.23312	92.6
281.24652	2.3
283.09705	3.0
315.04980	2.7
393.04321	2.6
583.16296	2.8
583.18329	3.1
583.29071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	68.8
68.98547	5.6
69.90353	5.5
71.01373	9.4
72.09403	6.1
73.02932	6.7
101.02454	7.5
111.69733	6.3
113.02477	13.4
116.44163	6.4
289.79776	7.7
310.36038	6.5
319.22818	91.8
463.27136	64.9
481.28122	11.6
523.29303	100.0
583.28632	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02125	0.8
57.25266	0.8
57.68905	0.9
58.45357	0.8
59.01384	100.0
67.05550	0.9
71.01382	2.1
72.63863	1.0
89.02434	1.1
92.47728	0.9
101.02407	2.0
106.44920	1.0
107.26438	0.9
109.05884	1.2
117.09369	1.1
134.03743	28.7
140.92535	1.0
149.06059	5.6
160.01659	1.5
161.02351	1.0
175.03998	4.9
193.05081	29.8
339.04874	1.1
344.43579	1.2
359.45267	1.1
455.76660	1.2
463.26971	1.7
523.29053	16.2
538.84058	1.3
565.87848	1.3
583.23785	10.1
583.31927	13.4
592.55225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.99992	0.7
71.01379	7.8
71.16064	0.6
73.02942	5.4
74.56531	0.7
79.92796	0.7
83.01405	1.6
85.02954	5.7
89.13023	0.7
99.00900	1.0
100.70175	0.8
101.02427	12.6
103.65721	0.8
113.02449	5.3
113.12364	0.9
125.02406	0.9
135.80408	0.8
143.03481	0.9
161.04553	3.8
164.12752	0.9
164.34845	0.7
184.99275	0.8
203.94785	0.8
212.53461	0.8
252.69751	0.8
319.22772	3.5
397.45578	0.9
409.98474	1.1
463.26782	6.7
481.28265	17.7
523.29175	59.5
583.31274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.78430	0.8
62.66428	0.8
71.01366	3.6
73.02950	3.3
80.80089	1.0
89.02419	1.9
96.96004	1.4
101.02428	1.9
113.02460	1.1
117.15152	0.8
132.90857	0.7
158.20874	0.9
177.21300	0.9
179.12392	0.8
191.15315	0.8
226.24411	0.9
354.90753	0.8
357.54474	1.0
372.11911	0.9
409.92038	0.9
451.91254	0.9
523.29089	31.3
583.31329	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98832	11.1
70.34022	0.6
70.69232	0.6
71.01368	4.5
78.98589	4.5
79.95741	3.5
80.96515	35.9
85.02951	1.1
87.00874	2.6
94.98090	9.7
96.26493	0.7
97.02959	1.3
101.02412	2.6
106.98094	1.3
108.41946	0.7
122.97566	1.6
125.02451	3.5
134.97580	3.8
136.99150	0.8
148.99104	6.3
152.98610	5.3
152.99687	1.0
164.98622	16.7
174.13811	0.7
206.99706	4.4
214.74960	0.7
225.00772	23.0
241.48160	0.8
283.26331	3.9
299.04419	5.3
315.75403	0.7
326.50366	0.7
345.69394	0.9
445.65543	0.8
509.34128	0.8
521.18683	0.8
583.31677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44775	0.6
59.01391	2.4
70.58816	0.6
71.01368	1.4
77.41079	0.6
78.98586	3.1
79.95745	3.5
80.35535	0.8
80.96516	35.3
85.02943	1.6
86.47784	0.6
87.00866	2.7
94.98091	9.6
96.96054	0.9
99.00904	0.6
100.24525	0.6
101.02416	2.4
106.98096	1.4
122.97564	1.5
125.02411	3.2
127.04024	1.0
127.35903	0.6
134.97551	4.8
136.99158	1.4
148.99144	5.8
152.98616	6.7
152.99637	0.6
164.98630	18.0
169.43210	0.8
206.99719	4.0
225.00792	24.9
225.02943	1.4
261.18253	0.7
283.26462	3.5
299.04407	3.7
583.31665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82777	0.8
58.78067	0.7
59.01355	1.9
59.10615	0.9
61.98835	38.6
65.71568	0.9
71.01382	2.4
75.15753	0.8
78.95901	0.9
78.98586	3.6
79.95757	1.2
80.96518	33.3
85.02939	1.7
87.00883	1.8
94.98076	11.1
97.02923	1.1
101.02457	1.2
106.98080	1.2
122.97557	2.1
125.02419	1.6
134.97572	1.8
148.99161	4.9
152.98587	6.0
164.98628	12.3
165.70494	1.1
169.32529	1.0
185.06180	1.2
206.90344	1.1
206.99731	2.4
225.00740	21.1
281.25003	2.0
282.25150	2.4
283.06085	1.7
283.26074	2.2
299.04437	4.4
509.33533	4.1
583.31677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58058	0.7
59.01381	44.6
59.76300	0.7
61.98825	12.2
71.01375	5.1
73.02940	3.9
85.02947	3.5
85.58959	0.9
89.02439	1.6
99.00868	1.4
101.02419	11.3
113.02454	4.2
113.09734	4.6
143.99463	1.1
150.03168	0.9
159.10266	100.0
161.04553	3.7
165.05548	1.8
195.06618	1.0
249.44997	0.9
291.18127	4.6
305.83142	1.0
423.22437	42.9
577.19238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	80.9
60.43770	0.9
60.96536	0.8
61.82159	0.8
64.98128	0.8
69.61086	0.8
72.33820	0.9
76.22534	1.0
87.24152	0.9
89.02440	1.0
91.71357	0.9
97.68541	0.9
115.08287	1.0
123.22393	0.9
136.68681	1.0
146.63333	1.1
180.14056	1.1
194.16771	1.0
277.21750	100.0
282.05707	1.0
370.29758	1.1
457.94098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27436	0.7
55.81698	0.9
58.71628	0.6
59.01381	67.5
62.72724	0.8
68.78336	0.9
71.01384	1.6
82.89241	0.9
92.22514	1.2
95.54781	0.8
113.02463	1.2
206.17578	0.8
237.69788	0.9
263.11533	1.2
269.74933	1.1
277.21741	100.0
353.78659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07639	0.9
59.01385	100.0
61.98836	1.2
62.02578	0.9
62.50146	0.9
66.48411	0.9
80.96517	10.3
85.02971	1.5
94.98085	4.1
106.35529	1.1
125.02440	1.4
136.34109	1.1
139.13115	1.1
164.98607	2.7
173.80449	1.1
225.00726	4.8
277.21762	82.9
277.62860	1.3
583.31616	28.1
583.39911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52618	0.8
59.01384	100.0
69.89148	0.9
85.88545	0.8
123.12416	1.0
130.87927	1.2
141.52193	1.0
148.02701	0.8
153.57843	0.9
190.92436	1.0
239.65706	1.2
247.90800	1.1
255.23195	1.6
257.87604	0.9
271.22906	1.9
279.23355	10.9
287.16693	1.1
305.17490	4.0
348.90262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93127	0.5
55.54536	0.6
56.73375	0.5
59.01380	0.6
61.11058	0.4
79.04047	0.6
85.60147	0.5
104.68175	0.6
107.29726	0.7
121.06842	0.6
123.20589	0.5
132.09569	0.6
249.52037	0.7
253.21745	100.0
405.85709	0.8
583.38324	2.6
583.46625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34936	0.3
67.73315	0.3
139.15701	0.4
146.07484	0.4
147.94371	0.4
147.95554	0.4
148.18431	0.4
153.55650	0.4
157.68199	0.4
160.34140	0.4
235.20723	0.5
243.78795	0.4
251.34309	0.4
253.21751	100.0
297.58902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.4
66.55968	0.3
75.45557	0.3
84.51902	0.3
85.25354	0.3
91.63065	0.3
97.06535	0.6
97.87632	0.3
121.06603	0.3
155.26198	0.4
177.89081	0.3
183.01630	0.4
185.11855	0.5
211.13358	0.5
222.90587	0.3
253.21753	100.0
293.21371	0.3
307.19223	1.3
583.39825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97366	0.3
58.04209	0.4
61.98833	100.0
75.96410	0.4
79.99448	0.4
128.61130	0.5
135.04552	0.6
190.02888	0.5
191.03569	1.1
193.25389	0.6
205.05098	2.6
326.60672	0.5
378.63629	0.5
514.87952	0.5
521.16766	6.5
584.16895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95181	0.5
59.21271	0.5
87.11927	0.6
94.89144	0.6
115.04001	0.6
119.90479	0.6
123.43736	0.7
140.66856	0.6
163.11304	0.7
167.54353	0.6
185.11208	0.7
244.73546	0.8
308.05716	2.5
309.06491	100.0
324.08810	85.1
383.75891	0.6
486.14078	1.4
584.17682	6.8
584.28955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
58.78653	1.1
59.01380	11.0
61.98824	2.6
69.09053	1.0
85.02946	7.5
87.00890	9.1
99.04486	1.8
108.04539	2.1
110.02501	1.2
122.06141	2.0
125.02445	2.8
126.05597	27.1
131.62572	1.2
143.03488	2.3
149.02402	1.5
152.03447	1.2
164.07173	5.3
166.05095	61.0
167.03413	1.3
180.06648	1.9
188.18491	1.1
208.06160	19.9
209.04530	2.3
214.08772	1.4
226.07219	42.8
226.09291	2.4
254.08241	6.0
269.08188	12.8
314.10284	6.9
342.30414	1.3
357.11404	2.3
484.18222	1.4
584.19324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
59.01381	12.8
61.98833	2.6
68.15630	1.1
72.02342	1.2
73.02937	1.4
74.97982	1.2
85.02931	5.5
87.00857	9.4
94.06589	1.4
99.04511	2.1
99.92432	1.3
106.62646	1.5
108.04557	2.5
110.02459	1.6
112.18282	1.5
125.02398	2.0
126.05615	31.1
143.03513	2.9
149.02284	1.7
154.05167	2.6
164.07185	2.2
166.05084	74.9
180.06535	1.8
182.04590	1.5
184.06236	1.5
185.04579	2.5
208.06146	19.8
209.04514	2.3
226.07224	59.4
254.08241	6.5
269.08255	8.4
314.10452	6.9
339.23175	2.6
360.49365	1.6
388.05487	1.5
398.14063	1.8
488.72720	1.5
522.33899	1.4
584.19366	100.0
602.66638	1.7
604.47217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53360	0.8
58.08561	0.9
61.98826	1.9
65.68833	0.8
69.39262	0.8
73.10285	1.0
77.18616	1.0
87.00845	1.7
93.03460	6.7
106.59241	1.1
128.10901	1.3
130.08739	91.5
145.63133	1.1
172.09805	100.0
173.04549	2.2
181.21078	1.2
191.05637	34.5
193.05147	2.1
216.08737	4.7
233.89642	1.2
333.32870	1.0
343.63196	1.2
367.10519	10.8
413.36023	1.1
479.71906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53360	0.8
58.08561	0.9
61.98826	1.9
65.68833	0.8
69.39262	0.8
73.10285	1.0
77.18616	1.0
87.00845	1.7
93.03460	6.7
106.59241	1.1
128.10901	1.3
130.08739	91.5
145.63133	1.1
172.09805	100.0
173.04549	2.2
181.21078	1.2
191.05637	34.5
193.05147	2.1
216.08737	4.7
233.89642	1.2
333.32870	1.0
343.63196	1.2
367.10519	10.8
413.36023	1.1
479.71906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17350	0.5
61.98831	100.0
77.75484	0.6
78.04946	0.5
78.41376	0.5
82.80045	0.6
89.20525	0.5
130.08755	9.7
161.93008	0.6
172.09787	11.9
191.05647	3.3
367.10278	1.3
379.86267	0.6
408.09155	0.6
473.70865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.8
59.01381	35.5
60.00905	28.1
61.98825	2.4
67.91942	0.9
70.66499	0.9
71.01390	3.6
72.27148	0.9
73.69514	1.0
82.13210	0.8
85.02949	13.0
89.02435	1.3
93.03423	1.0
96.96002	13.8
99.00894	1.3
101.02428	1.6
106.04237	4.6
115.81519	1.1
121.02937	6.8
134.11446	1.1
158.04579	55.2
166.05055	3.9
178.05147	2.2
246.07620	3.8
264.08780	100.0
283.54562	1.0
328.10446	1.7
349.95459	1.1
351.40683	1.0
395.17920	1.0
426.14120	11.5
435.71811	1.0
454.02429	1.1
457.36392	1.2
524.17529	1.4
584.19476	1.6
584.28583	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.8
59.01381	35.5
60.00905	28.1
61.98825	2.4
67.91942	0.9
70.66499	0.9
71.01390	3.6
72.27148	0.9
73.69514	1.0
82.13210	0.8
85.02949	13.0
89.02435	1.3
93.03423	1.0
96.96002	13.8
99.00894	1.3
101.02428	1.6
106.04237	4.6
115.81519	1.1
121.02937	6.8
134.11446	1.1
158.04579	55.2
166.05055	3.9
178.05147	2.2
246.07620	3.8
264.08780	100.0
283.54562	1.0
328.10446	1.7
349.95459	1.1
351.40683	1.0
395.17920	1.0
426.14120	11.5
435.71811	1.0
454.02429	1.1
457.36392	1.2
524.17529	1.4
584.19476	1.6
584.28583	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.08442	0.2
61.66440	0.2
61.98831	100.0
71.01376	0.5
72.34145	0.2
79.25024	0.3
89.02450	1.5
100.28498	0.3
103.62920	0.3
113.02425	0.3
115.06833	0.2
119.03491	0.4
147.39336	0.3
179.05731	0.4
196.07440	0.6
200.85693	0.3
310.17548	0.3
313.09888	0.3
328.12296	0.5
593.15637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77150	0.4
59.01398	0.7
61.98838	1.1
65.87819	0.4
66.03471	0.8
71.01373	0.7
71.08498	0.5
71.44570	0.5
80.20718	0.5
81.44925	0.6
94.02973	10.8
103.24969	0.6
113.02435	2.2
124.04040	100.0
138.45383	0.5
139.79214	0.5
143.80350	0.5
210.07735	62.4
278.17123	0.6
426.17358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02469	14.6
78.41190	1.7
82.02994	2.0
86.02477	2.6
92.23164	3.3
97.04052	10.0
98.34726	1.7
99.05621	4.0
100.00406	4.0
101.02420	2.1
102.00181	2.4
105.99696	17.6
112.42614	1.6
113.03564	2.6
114.00177	1.8
114.97126	1.4
126.04324	2.5
128.03546	73.8
141.03081	2.2
143.04616	39.7
153.06674	14.9
154.05145	2.8
160.00763	6.9
164.07196	2.5
166.09834	2.4
167.04623	2.6
169.06174	3.7
170.04648	2.4
175.01825	22.6
179.04625	16.4
182.09282	3.2
184.10857	2.3
185.05698	2.0
197.05710	10.6
200.05682	8.0
210.08908	8.7
226.08296	8.4
232.02394	2.3
254.07828	7.2
272.08832	14.3
304.06155	20.4
376.08231	3.4
422.16156	34.4
434.14227	11.9
466.11502	33.2
484.12421	4.1
494.18146	14.9
584.21460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31113	6.5
59.58210	6.2
61.98848	6.6
64.99759	6.1
71.29766	6.5
85.40351	7.0
104.60243	6.3
121.07336	6.9
125.09683	16.9
139.11345	7.6
153.12825	29.6
162.45155	7.5
197.11833	55.3
200.12817	10.9
214.14592	56.4
215.13019	11.8
218.78018	7.1
225.14948	25.5
242.17630	100.0
243.16104	8.3
309.21707	7.1
367.25970	98.6
399.28430	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52842	0.4
54.15008	0.4
59.01386	2.8
62.49833	0.4
67.18770	0.4
73.58106	0.5
139.11293	8.2
153.12846	8.2
160.87430	0.5
170.11879	5.5
170.15544	0.9
183.10286	4.2
186.11348	0.8
196.13498	0.7
197.11853	14.7
198.15010	4.3
200.12947	48.3
201.11304	0.8
212.16614	1.0
214.14513	100.0
215.12866	6.4
241.91670	0.5
245.72189	0.5
353.24637	0.6
367.26263	0.9
371.25433	2.5
385.27109	7.0
524.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18235	0.6
60.75216	0.6
61.98819	0.7
65.49243	0.6
70.03471	0.7
75.37473	0.6
92.72019	0.8
125.09717	15.1
139.11220	1.5
142.12372	1.1
152.10783	0.8
166.97343	0.7
170.11891	10.8
172.09779	0.9
181.15968	7.4
183.10268	1.3
186.11429	1.0
197.11877	0.8
200.12918	7.3
214.14543	6.3
220.90111	0.7
224.16605	1.4
225.14973	19.7
242.17636	100.0
243.16010	2.8
250.74370	0.6
278.21136	0.9
291.22519	0.9
322.20251	1.5
339.22900	15.8
363.24374	0.7
371.25592	11.5
395.29056	1.7
413.30280	8.4
581.38782	0.8
584.43555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32257	0.5
56.83488	0.7
59.01384	11.3
60.01740	0.9
61.98826	1.0
98.21299	0.7
112.71278	0.7
125.09714	20.7
142.12425	1.2
167.14386	7.7
170.11905	7.5
184.13463	3.4
186.11363	80.5
201.86961	0.8
210.14957	1.6
211.13423	19.6
214.14505	4.7
228.16049	100.0
229.14479	9.4
350.83890	0.8
357.24170	5.5
399.28745	6.7
475.79837	0.8
482.28775	1.0
524.29303	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98663	0.8
72.84155	0.8
72.99303	21.4
82.47753	0.8
96.95997	4.6
107.87579	0.9
146.08231	30.3
149.06006	1.6
151.04005	5.7
161.06097	1.7
166.08701	4.2
166.10030	0.9
178.02715	7.8
178.08742	1.7
179.03448	1.5
197.04546	5.2
217.11949	20.1
220.09819	10.6
222.07625	1.4
232.09813	4.4
237.12497	2.0
240.08807	4.4
252.05507	1.5
271.69574	1.0
289.14273	1.4
294.10059	1.4
309.11218	15.4
311.12607	1.5
342.25192	1.1
353.17065	2.0
367.18784	11.3
379.18784	4.3
411.31009	0.9
423.17902	1.0
441.18829	18.8
505.14676	6.5
585.10760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83036	2.0
52.28765	2.5
70.66685	2.2
71.25063	2.7
72.99306	5.6
74.68577	2.4
81.28011	3.0
83.05008	6.2
85.38892	2.6
111.04485	21.3
115.03988	4.1
119.04976	4.0
127.03997	52.5
129.05565	3.5
143.95522	3.0
155.03510	57.4
157.00238	3.5
161.06090	10.2
163.04045	10.0
166.59845	2.9
172.96236	2.7
173.04515	5.3
179.65933	2.7
191.05597	3.9
199.02505	47.2
217.03558	100.0
291.38324	2.7
585.17145	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50368	0.3
59.01400	0.3
66.36292	0.3
75.59171	0.4
75.93198	0.3
79.95733	0.8
90.96838	0.3
96.96003	100.0
106.76987	0.3
113.59820	0.3
121.67562	0.4
165.23932	0.4
172.09796	0.5
345.14636	0.4
369.32401	0.4
408.70956	0.4
585.22369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34688	0.8
59.01370	5.8
71.05017	2.1
75.75780	1.0
79.51514	0.9
80.58341	1.0
85.02921	5.7
87.00868	1.8
97.59498	0.9
99.04501	1.5
109.02941	4.3
123.04541	1.2
123.29790	0.9
125.05991	1.6
126.05585	4.8
127.04006	14.1
129.12343	1.1
149.06065	2.0
151.04037	4.2
152.04787	4.7
153.05511	1.2
164.87350	1.1
166.05083	14.9
167.05417	6.4
169.05080	1.5
173.06026	12.7
177.01921	2.5
180.06633	1.2
181.68950	1.0
208.06133	4.6
226.07220	11.6
227.07423	6.2
237.05501	4.6
239.10728	4.2
241.08748	12.4
245.08160	9.4
255.10461	1.8
257.11801	5.1
259.09744	1.5
265.05060	2.0
269.08063	1.9
270.08438	1.7
283.06146	15.8
283.09741	38.3
301.10843	59.2
339.08823	1.7
371.73785	1.0
378.46661	1.1
409.15274	1.1
435.43442	1.0
525.15564	2.6
543.35999	1.2
585.18201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40055	3.3
59.01381	22.2
61.11393	3.5
61.98824	5.3
75.02564	3.6
78.95902	5.7
83.01365	6.3
85.02921	26.1
87.00873	18.7
99.04511	16.6
100.48451	3.4
108.36742	3.6
111.00872	29.7
113.02438	18.7
121.21607	3.9
122.03778	3.7
123.04491	8.2
125.02429	35.6
125.09739	4.5
127.04005	33.7
141.01952	5.6
143.03494	8.3
152.99710	4.3
167.03477	49.6
167.45026	4.6
185.04553	100.0
209.04550	6.6
227.03612	5.3
227.05476	29.0
241.40453	3.7
269.08258	53.1
315.08896	7.1
525.25781	5.1
549.23364	3.9
585.17786	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08694	0.9
55.26608	1.0
55.43586	1.1
56.48335	0.9
59.01379	2.1
63.61056	1.1
76.20650	1.0
76.77719	1.3
77.89240	1.1
80.19971	1.1
80.31140	1.1
85.02937	6.1
109.02944	2.1
127.04002	6.4
147.08174	1.8
149.06064	1.4
151.03986	1.7
152.04759	2.1
171.10381	1.3
173.06088	7.5
190.46706	1.3
197.45642	1.4
217.08977	1.2
237.05591	6.0
239.10794	6.9
241.08714	15.4
245.08208	29.7
255.10283	2.7
257.11832	2.8
259.09857	2.2
265.05011	1.9
270.45886	1.5
283.06201	20.3
283.09772	58.8
286.08582	2.2
301.10834	100.0
541.28833	1.8
585.18243	20.7
585.27356	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75618	0.3
57.76875	0.3
59.01381	5.7
64.02345	0.3
66.77595	0.4
67.14568	0.3
71.01387	0.6
72.58336	0.3
73.02943	0.4
77.44238	0.3
78.95894	0.4
83.05026	0.4
85.02951	2.0
85.88393	0.3
86.81353	0.3
89.02431	0.5
91.32847	0.4
92.13039	0.4
101.02418	0.9
113.02447	100.0
135.03143	0.4
367.26794	0.4
447.43951	0.4
585.28094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33178	0.8
55.70914	0.8
59.01374	6.9
67.01881	1.9
69.29351	0.9
70.71584	0.9
71.01375	2.4
73.02968	2.2
85.02966	1.7
87.00864	7.0
89.02408	1.9
93.03452	24.5
99.00861	4.3
101.02455	4.2
101.45336	1.0
111.04518	3.8
115.03989	1.1
119.05032	2.6
120.64133	1.0
124.63151	1.0
126.09234	1.3
127.33495	1.0
129.01956	1.2
129.61133	1.0
134.03743	5.8
134.77310	0.9
143.03493	1.3
154.25792	1.1
155.67862	1.0
163.04018	1.7
170.08252	10.7
173.04549	13.6
191.05630	100.0
192.05974	1.3
193.05025	10.1
209.24989	1.1
217.08328	4.5
223.06146	6.4
277.10751	1.9
303.43802	1.1
321.09738	4.4
367.10361	61.0
368.10712	1.2
391.83521	1.2
525.21826	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11853	1.3
59.01363	1.7
61.98814	1.9
74.32924	1.2
109.89663	1.1
119.05042	1.6
145.02956	7.0
159.11270	1.3
163.03934	2.2
173.22572	1.3
234.21004	1.2
277.22015	1.4
441.19489	2.0
444.39108	1.5
499.70245	1.3
512.17084	100.0
585.20038	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92886	0.5
59.01107	0.6
59.01379	15.1
71.01373	9.6
73.02919	3.0
73.56554	0.6
75.99397	0.6
80.98936	0.6
85.02911	1.6
89.01939	1.2
89.02434	17.0
89.68628	0.6
94.97992	0.6
96.95998	1.0
99.00867	17.4
101.02427	7.5
113.02451	7.1
113.09727	7.2
116.29391	0.7
118.06354	0.6
118.98029	1.0
119.03460	6.1
131.03436	1.5
139.07568	0.8
143.03456	0.9
149.02400	4.2
149.04497	1.5
157.08693	28.3
161.04521	1.1
164.04790	13.5
165.05518	0.8
175.00331	6.3
179.05721	0.7
179.07077	1.4
190.02719	70.7
191.05551	3.0
205.05066	100.0
223.06128	17.2
379.16257	9.8
427.19727	0.9
445.93536	0.7
585.21710	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55856	0.8
52.42920	0.8
59.01393	6.7
66.96529	0.8
71.01376	2.0
76.10577	1.0
77.30051	0.9
82.67777	0.9
84.43361	0.8
89.02435	6.6
91.84384	0.9
98.24810	1.0
99.00879	5.5
101.02425	1.1
102.93245	0.8
103.86469	0.9
113.02441	4.2
116.69006	0.9
119.03387	0.9
147.04512	5.2
147.29544	0.8
149.02435	35.0
164.04793	100.0
179.07156	11.1
190.02763	12.8
205.05048	14.1
208.03749	1.5
208.43954	1.0
216.80832	0.9
223.06131	98.9
237.01245	1.0
251.54285	1.0
309.54721	1.0
585.21973	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.2
58.87824	0.8
59.01109	1.4
59.01383	34.3
71.01373	8.1
81.03471	1.0
83.01382	1.0
85.02939	2.0
89.02445	6.9
97.02937	5.6
97.06605	1.0
99.04514	23.2
101.02434	10.4
101.44483	0.9
107.05029	1.4
109.02934	5.9
109.06590	7.0
111.04514	4.4
113.02416	8.2
119.03471	1.4
119.08671	1.0
121.06550	1.4
122.03731	4.5
123.04537	4.2
123.55438	0.9
124.05283	1.2
125.02431	30.1
125.06064	1.5
133.06584	1.4
136.05249	0.9
137.06055	14.3
137.09743	3.4
139.07651	58.7
145.02916	1.2
149.06059	4.6
151.04008	4.3
151.07628	1.4
155.55334	1.0
161.04547	6.2
163.03989	1.4
163.07666	4.2
163.11317	1.0
165.05557	1.6
168.07918	15.5
169.08717	2.1
177.12849	1.8
181.05045	1.8
187.09741	1.4
187.11288	26.9
189.05568	3.6
190.10036	1.4
191.05629	10.6
199.11375	0.9
205.05066	1.6
205.12347	82.2
213.09334	1.2
217.10440	1.1
217.12280	7.5
223.06015	1.6
229.12354	5.5
231.10280	9.7
235.13400	11.7
241.12404	0.9
249.11292	3.4
259.13290	1.2
261.11343	9.4
273.11197	7.0
279.12381	66.1
303.12347	9.8
321.13535	15.6
361.16611	6.1
363.14563	1.8
423.16669	29.7
441.17657	9.8
585.22009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
57.03458	15.4
59.01384	34.2
59.13671	1.3
61.55545	1.4
61.98838	2.2
63.74114	1.2
65.12119	1.2
67.36859	1.5
71.01381	2.7
85.02963	1.9
89.02415	1.5
96.65423	1.6
97.02943	1.6
99.04512	18.2
101.02423	8.1
109.02962	1.8
113.02423	1.7
124.05235	2.6
124.16584	1.5
125.02410	7.8
133.06616	1.8
134.03709	10.1
137.06075	7.8
139.07643	100.0
149.06078	9.2
150.03143	2.0
151.03999	5.6
161.04573	7.8
165.05540	2.0
168.07927	18.0
169.08676	2.3
178.02750	11.9
181.08643	2.1
187.11244	12.3
193.05054	17.4
205.12329	27.4
211.09778	2.4
217.12486	2.7
226.79787	1.8
231.10254	2.7
273.11395	2.6
279.12415	35.0
303.12534	2.1
321.13477	7.1
423.16705	75.5
441.17807	3.7
567.19019	2.0
585.21814	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33535	1.3
56.23130	1.4
59.01382	22.4
70.34214	1.7
71.01380	16.9
72.99290	2.1
80.50524	1.6
83.01384	2.4
85.02947	26.1
89.02438	10.7
98.31171	2.0
101.02435	14.7
102.88996	1.5
106.21938	1.7
106.71564	1.5
109.51123	1.7
111.40112	1.7
113.02433	7.9
119.03480	6.9
125.09709	50.0
135.04533	1.9
143.57928	1.6
149.02409	12.7
149.41685	1.9
152.01196	2.0
161.04584	2.6
163.03995	6.6
164.04796	43.6
177.05536	7.6
179.07109	23.0
181.05104	1.9
183.10062	1.5
187.09767	79.5
193.01389	3.8
197.04590	2.2
203.07285	3.4
208.03795	48.5
218.09476	6.9
223.06119	100.0
247.06120	10.5
255.06519	1.8
262.08459	22.2
263.11356	12.4
277.10840	50.4
321.09824	79.5
585.24158	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33535	1.3
56.23130	1.4
59.01382	22.4
70.34214	1.7
71.01380	16.9
72.99290	2.1
80.50524	1.6
83.01384	2.4
85.02947	26.1
89.02438	10.7
98.31171	2.0
101.02435	14.7
102.88996	1.5
106.21938	1.7
106.71564	1.5
109.51123	1.7
111.40112	1.7
113.02433	7.9
119.03480	6.9
125.09709	50.0
135.04533	1.9
143.57928	1.6
149.02409	12.7
149.41685	1.9
152.01196	2.0
161.04584	2.6
163.03995	6.6
164.04796	43.6
177.05536	7.6
179.07109	23.0
181.05104	1.9
183.10062	1.5
187.09767	79.5
193.01389	3.8
197.04590	2.2
203.07285	3.4
208.03795	48.5
218.09476	6.9
223.06119	100.0
247.06120	10.5
255.06519	1.8
262.08459	22.2
263.11356	12.4
277.10840	50.4
321.09824	79.5
585.24158	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21281	0.7
56.63618	0.9
57.03204	1.0
57.03456	16.7
59.01382	23.6
61.68085	1.1
61.98824	2.0
66.56634	0.8
68.29330	1.0
77.46819	0.9
86.99493	0.9
87.61774	0.9
89.02477	1.3
97.02955	3.8
99.04516	14.0
101.02449	4.4
107.05007	1.2
109.02948	1.9
109.06596	3.7
111.04501	1.1
113.02412	4.1
121.06554	1.4
124.05268	4.8
125.02425	2.3
133.06602	4.1
137.06104	7.1
137.72519	1.1
139.07652	100.0
147.08188	1.5
149.06099	1.4
151.03932	1.4
151.07637	1.5
161.04541	6.6
163.07663	1.2
168.07939	21.3
169.08717	2.5
177.12805	1.2
181.08694	2.1
187.11272	11.5
189.05502	1.1
205.12347	39.4
210.09012	1.9
217.12308	4.2
229.12584	1.3
231.10318	4.9
235.13383	4.8
249.11433	1.8
251.00809	1.1
273.11304	4.4
279.12405	47.8
303.12531	2.6
321.13449	6.9
423.16714	23.3
441.17773	16.7
585.21985	76.8
593.32202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01193	0.5
59.01385	9.5
67.57281	0.6
68.92060	0.6
71.01369	3.4
72.99304	40.5
73.02932	4.2
75.00865	1.2
75.36375	0.5
83.01375	4.1
85.02939	0.7
89.02423	3.1
92.22478	1.2
96.95972	0.9
97.02930	0.7
99.04513	1.1
99.81445	0.6
101.02431	3.9
113.02454	2.7
118.22894	0.6
118.84808	0.6
119.03460	1.5
121.02953	2.7
122.03648	0.6
123.04512	14.4
135.04535	17.7
137.02490	0.6
139.11308	4.8
151.04048	0.8
152.31767	0.7
153.05536	0.9
165.09166	0.9
169.12381	0.9
179.03505	48.2
179.10770	1.4
181.12311	3.0
183.10260	5.8
197.04565	52.0
197.11780	1.2
222.07220	0.7
225.11368	7.9
243.12338	3.5
249.11060	0.7
356.16653	0.8
387.16888	1.1
400.53247	0.7
423.24103	1.0
447.59134	0.7
463.21677	1.1
537.83124	0.7
567.21094	1.4
585.21802	100.0
585.29370	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.9
66.60822	1.2
71.01372	2.9
71.42252	1.2
72.99286	2.3
89.02428	7.2
99.00858	7.8
101.02435	3.2
102.96387	1.4
108.68038	1.5
113.02409	5.7
147.04512	2.4
149.02449	33.5
155.01447	1.4
164.04788	100.0
179.07132	9.9
182.11839	1.6
190.02769	11.5
202.94699	1.6
205.05054	14.7
208.03859	2.1
217.12024	1.6
223.06129	94.7
224.93567	1.7
275.73157	1.8
382.78531	1.7
541.29529	2.3
585.21643	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66334	1.1
54.65090	1.0
54.98693	1.4
59.01385	7.6
60.55935	1.1
63.76136	1.2
70.93288	1.1
71.01370	2.8
80.28770	1.5
89.02443	2.4
93.03443	1.3
96.96033	1.5
101.02457	3.2
102.09258	1.4
104.04971	1.5
107.25993	1.5
109.02914	1.8
113.02414	1.4
121.02919	3.1
122.03741	7.4
133.02957	5.0
134.69193	1.4
135.04521	1.7
142.37831	1.2
145.02777	1.5
147.04533	1.4
149.02417	21.4
149.06119	2.6
150.03221	83.0
163.03999	2.3
164.04787	20.8
165.05569	100.0
175.04057	2.3
179.03503	2.1
179.07236	1.8
180.04303	9.4
189.05569	1.9
190.06319	9.9
191.07147	3.0
193.05141	2.6
194.05774	1.5
195.06631	35.9
205.05232	1.4
205.08762	9.6
207.06615	2.9
208.07382	17.0
222.08961	6.8
223.06108	8.5
298.11917	1.4
309.53729	1.4
345.13504	2.4
357.13440	3.0
358.13879	1.9
359.15021	31.4
389.16107	3.0
483.13586	1.4
494.07974	1.6
520.53333	1.6
537.21350	57.0
585.22729	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2354
Annotation	Dihydrobuddlenol B
Peak:m/z	Relative Intensity
50.48325	1.2
59.01379	6.0
71.01385	2.1
98.62530	1.1
101.02434	1.3
113.02373	1.3
121.40356	1.1
122.03712	2.2
149.02435	24.0
150.03220	58.8
164.04791	21.1
165.05566	100.0
179.07138	1.4
180.04239	7.7
190.02774	1.6
190.38702	1.1
195.06636	30.5
205.05070	2.3
223.06107	12.2
244.02139	1.3
246.35567	1.1
263.90991	1.1
325.11072	1.4
327.12512	4.8
328.13129	14.2
329.10385	6.5
341.10229	9.7
344.12668	11.6
355.11917	1.6
356.12799	2.8
359.15091	14.2
371.14932	13.0
492.17490	1.7
493.92599	1.2
507.20297	4.9
537.21405	36.1
541.29803	1.7
585.23260	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56880	0.9
56.19639	0.9
59.01380	9.7
59.54066	0.9
61.30851	0.9
61.98832	0.9
65.16256	0.8
70.55824	0.9
71.01366	1.0
74.50321	0.8
93.97824	1.0
101.02436	1.3
107.92115	1.1
122.03733	5.2
133.02913	1.3
149.02466	4.1
150.03229	60.4
153.88892	1.1
164.04829	4.6
165.05566	100.0
180.04315	7.5
195.06635	47.2
227.77533	1.0
329.10202	7.8
338.89645	1.0
341.10361	12.2
344.12598	7.2
356.12823	4.6
359.15009	15.6
371.15103	13.0
481.28198	2.0
585.23029	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47707	1.1
59.01379	22.8
60.46024	1.3
71.01378	10.6
73.02590	1.4
73.02945	12.1
85.02967	2.9
86.82356	1.3
89.02434	25.0
99.00864	36.3
101.02444	18.6
103.03999	7.6
113.02462	2.3
115.03980	3.0
119.03492	7.3
125.02426	2.3
131.03481	8.5
143.03482	10.0
161.04549	1.9
163.06099	7.8
172.96855	1.7
185.06425	1.7
191.05623	2.8
205.07153	13.4
297.31583	1.7
431.21841	1.5
467.68164	1.6
525.21936	100.0
591.82001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99513	0.6
52.67741	0.6
54.34680	0.6
57.03467	0.9
59.01371	5.5
71.01379	4.1
89.02442	6.5
94.11690	0.7
97.06570	1.7
101.02447	6.1
113.02444	1.7
119.04991	6.7
125.09714	69.4
163.04019	7.0
169.08717	3.5
187.09764	100.0
191.19702	0.8
197.98409	0.8
221.06650	0.8
235.08255	0.8
261.13269	1.0
396.78058	0.8
494.51816	0.8
510.69397	0.8
585.24176	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76387	0.6
56.39810	0.7
59.01370	7.6
70.23407	0.8
71.01376	4.6
72.37127	0.6
73.02946	1.8
85.02944	3.3
95.23798	0.9
99.00861	1.3
101.02439	6.8
113.02454	1.6
115.82372	0.8
117.03481	4.7
120.30145	0.8
125.09746	0.9
134.03741	95.2
145.02934	1.3
149.06078	16.6
160.01680	7.6
171.10217	1.4
175.03966	16.7
178.02721	3.3
193.05067	100.0
197.11844	1.7
215.62056	0.8
224.91428	0.8
246.89474	0.8
277.16675	1.6
379.07056	0.9
423.24048	1.3
554.37885	1.0
585.25385	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77829	0.3
59.69785	0.4
71.01393	0.5
73.02944	0.7
81.63479	0.4
89.02461	0.4
93.03471	0.4
101.02444	7.6
110.09755	0.4
111.04431	0.4
112.93766	0.3
115.07622	0.6
130.08733	100.0
172.09816	1.9
173.04541	0.8
191.05623	7.0
202.10863	17.5
214.10829	0.5
244.11842	0.8
292.14053	15.3
340.20740	0.4
526.34576	0.4
531.94342	0.4
544.69781	0.4
560.73950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00328	1.5
59.01384	100.0
71.01387	15.1
72.99297	1.6
73.02936	6.8
78.95920	2.0
85.02936	9.0
89.02446	2.6
89.38618	1.8
94.20966	1.4
99.00871	1.7
100.47930	1.8
101.02429	17.6
113.02439	19.7
130.55074	1.8
149.02460	3.9
150.03221	10.2
161.04550	2.7
164.04778	7.9
165.05540	12.4
180.33455	1.6
195.06606	3.5
223.06104	3.1
242.63965	1.7
277.21710	2.5
324.31580	1.8
345.42627	1.8
481.28036	14.0
499.29312	8.5
537.21185	3.7
541.30341	73.0
585.24030	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16547	0.9
57.03431	1.1
57.33813	1.0
59.01382	79.1
59.47324	0.8
71.01379	17.2
73.02939	8.2
82.93900	1.0
83.01387	1.9
85.02956	6.8
87.00877	1.2
89.02432	12.9
99.00883	10.7
101.02432	14.7
113.02433	12.6
118.65739	1.0
119.03468	2.3
147.04500	4.8
149.02435	31.6
150.03313	1.2
161.02455	1.2
161.04590	4.3
164.04787	100.0
171.10378	1.2
179.07130	11.7
190.02742	15.6
191.05634	1.8
205.05080	17.0
208.03862	1.9
223.06122	90.7
335.06320	1.2
349.00903	1.0
365.35812	1.1
481.28156	13.7
499.29214	6.7
525.30798	8.7
541.30292	39.9
585.21606	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15048	1.4
51.38728	1.3
52.52504	1.3
53.90413	1.7
57.40874	1.4
59.01382	100.0
63.93945	1.4
71.01367	9.0
71.30672	1.6
73.02959	6.6
85.02921	3.6
87.00866	3.0
89.02405	2.5
94.98073	1.8
100.97340	1.7
101.02446	15.8
113.02415	7.4
161.04552	2.5
194.09845	1.7
277.21732	8.4
357.90549	1.9
481.28098	33.0
483.70596	2.2
492.16229	2.2
541.30261	55.3
585.29297	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03147	2.8
54.19644	3.4
57.03470	2.8
59.01386	100.0
61.98838	7.0
71.01374	31.2
73.02941	15.5
85.02958	15.2
89.02458	21.4
94.98069	3.6
101.02445	33.8
113.02449	20.6
119.03510	3.3
127.03981	5.1
142.35263	3.3
161.02548	3.3
161.04482	3.9
179.05658	4.8
191.05592	7.3
199.83299	3.6
214.14560	4.2
481.28033	14.7
499.29156	7.4
541.30280	42.1
585.21509	7.8
585.30481	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94912	0.7
59.01107	0.9
59.01386	22.7
61.98838	6.4
71.01370	6.5
85.02943	1.0
89.02448	6.4
96.95566	0.8
96.96017	13.1
101.02438	5.5
108.02173	8.4
109.02972	1.7
113.02466	3.9
119.03504	1.2
121.02960	4.7
122.03731	1.6
123.04523	17.4
139.07779	2.5
140.05069	0.7
157.08701	3.1
159.20726	0.8
163.92926	0.9
164.04779	1.0
167.03479	1.9
174.06935	1.0
175.07681	1.1
179.07072	0.9
192.07948	2.0
205.51764	0.8
208.11049	3.3
223.06157	1.1
254.26636	0.9
260.14197	1.6
351.97592	0.9
440.20566	26.3
525.27087	2.0
549.27307	1.3
567.28284	1.9
585.29352	100.0
610.52863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08020	1.0
57.14886	0.7
60.85906	0.8
70.94486	0.8
78.95900	19.4
82.96074	3.0
96.96957	6.5
109.74454	0.9
126.58261	0.9
152.99593	46.1
223.00134	1.2
241.01213	30.4
269.24884	89.4
315.04953	4.9
343.75134	0.9
374.34961	0.9
417.00827	1.0
585.30573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3053
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
78.95899	27.1
82.72869	0.9
95.09321	0.8
96.96952	6.0
100.45192	0.7
100.47413	0.8
152.99588	60.0
223.00108	1.1
241.01205	36.4
269.24881	98.3
315.04929	8.0
401.79666	0.9
585.30542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01435	2.0
72.48923	0.8
74.73323	0.8
78.95905	18.6
80.31218	1.0
96.96934	6.9
106.81831	0.9
113.94560	0.9
142.62880	0.8
152.99585	45.9
172.72693	1.2
228.00772	1.0
241.01186	30.7
259.02231	1.3
269.24881	86.0
279.23474	1.1
280.23761	3.1
307.82034	0.9
315.04913	6.1
315.21857	0.8
347.73853	0.9
405.23953	1.7
585.30511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.5
60.54162	0.4
62.30087	0.5
70.47998	0.5
80.02963	0.5
95.86121	0.5
113.23006	0.5
119.05022	100.0
145.03119	0.6
149.62553	0.6
163.04016	92.0
169.12585	0.6
261.39865	0.6
277.21716	3.0
290.50870	0.6
585.30988	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80778	0.5
53.90199	0.5
59.01383	100.0
59.49104	0.6
65.29297	0.7
66.83292	0.5
71.01376	4.7
73.02940	1.3
83.01375	0.6
85.02955	1.5
88.72373	0.7
99.00887	1.0
101.02459	6.0
113.02446	1.3
152.63680	0.9
161.04523	0.8
197.11824	0.7
287.15704	0.6
294.55844	0.7
321.24295	0.8
465.28500	6.0
483.29636	5.6
525.30762	33.4
585.33417	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68577	0.9
55.65031	1.3
59.01384	57.7
59.01684	1.9
61.98832	1.1
63.14410	1.0
71.01379	28.7
73.02936	2.7
83.01381	1.2
85.02955	5.6
87.00922	1.6
89.02435	35.1
95.01363	2.3
96.48740	1.2
96.58770	1.2
101.02426	23.5
113.02439	13.6
119.03491	9.9
129.00931	1.2
134.03687	2.3
150.20078	1.2
161.02499	1.9
161.04562	4.8
179.05652	4.7
183.13751	1.6
191.68427	1.2
193.05045	2.2
196.20996	1.2
196.22874	1.2
242.97223	1.3
525.30774	100.0
573.18182	1.2
585.32581	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29579	0.9
59.01384	100.0
70.56604	0.9
71.01380	13.3
73.02926	4.4
85.02937	2.6
88.98823	1.3
89.02448	11.0
95.52470	1.1
101.02450	9.0
113.02448	20.2
118.47707	1.0
119.03506	4.8
131.94867	1.1
161.04564	2.4
197.11754	1.1
199.94789	1.1
248.56325	1.1
363.25427	6.2
465.28568	12.8
483.29608	3.9
525.30774	67.7
585.33417	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63046	0.9
51.38584	1.0
52.08522	1.1
59.01382	48.7
59.69693	1.0
61.98819	2.5
66.67799	1.1
71.01379	1.6
74.14529	1.1
83.90681	1.0
98.59422	1.2
135.40553	1.2
168.89397	1.1
192.81218	1.4
279.23322	100.0
335.07993	1.5
335.63644	1.3
585.41791	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37895	0.7
54.76406	0.7
54.76680	0.6
59.01384	51.2
71.01386	2.7
73.39505	0.6
89.02430	0.9
89.26688	0.6
92.22534	1.2
101.02413	1.2
113.02476	0.9
139.24614	0.7
170.78047	0.7
263.11371	2.8
279.23315	100.0
349.14441	0.7
506.76828	0.7
525.34692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22903	1.0
50.28299	0.9
59.01384	64.0
60.27125	0.9
61.98822	1.5
66.24426	0.9
67.47109	1.0
68.46161	1.4
71.01372	1.8
80.03088	1.2
88.07344	1.2
101.02384	1.3
128.32341	1.2
138.28477	1.1
140.03972	1.1
159.12395	1.0
205.66078	1.5
263.11371	2.1
279.23315	100.0
341.14328	1.2
521.68719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49261	0.7
55.83891	0.9
59.01384	24.0
67.38205	0.9
101.02441	1.0
117.20087	1.0
140.22710	1.0
218.54039	1.1
220.95609	1.1
279.23325	100.0
281.62827	1.1
387.86475	1.0
431.28732	1.0
537.39294	1.4
556.54309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87975	1.4
59.01382	100.0
61.98828	1.7
69.60674	1.5
69.91410	1.5
101.02391	2.2
113.02499	2.0
136.36526	1.6
157.59309	1.8
208.14282	1.8
264.31329	1.7
265.12918	7.2
272.91241	1.8
277.21750	94.6
279.22418	2.3
304.92548	1.8
325.86966	2.0
585.41919	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80825	1.5
55.33823	1.5
59.01379	100.0
71.01361	2.0
74.37527	1.7
81.54271	1.9
85.02979	1.6
101.02452	1.9
126.69215	2.0
136.74911	1.9
143.59036	2.1
277.21759	56.9
279.23294	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4171
Annotation	Ingenol-20-hexadecanoate
Peak:m/z	Relative Intensity
59.01385	11.4
59.10915	2.3
61.98820	4.0
69.64072	2.2
71.05018	4.1
74.01457	2.3
74.34437	2.3
94.98077	2.7
99.83441	2.2
110.32960	2.9
121.10225	2.6
134.26126	2.7
137.09689	4.8
171.10284	19.4
183.10246	4.2
183.13910	9.2
185.11888	2.6
193.42697	2.7
193.64252	2.4
195.13956	3.6
211.13356	3.9
223.17023	4.9
235.17056	3.2
251.16566	5.3
273.18549	2.4
275.20166	18.4
279.23196	4.1
291.16611	3.4
291.19623	28.4
293.21301	40.3
309.20792	24.1
320.00131	2.9
479.16986	3.1
491.49481	2.7
585.41699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01517	1.0
57.16950	0.7
59.01379	43.5
70.39494	0.8
130.61104	0.8
149.02438	4.7
150.02768	1.8
154.45743	0.8
158.14850	1.0
164.04797	16.6
165.05093	6.6
169.11269	0.9
179.07047	1.1
205.05048	1.3
223.06131	15.0
224.06503	7.5
234.05777	1.0
237.59511	0.9
239.60442	0.8
305.03320	1.8
306.04114	7.6
320.05630	29.0
321.06415	5.9
334.03601	61.8
335.07968	5.8
336.08829	2.0
348.05154	1.8
349.05933	24.0
364.08292	100.0
586.22729	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34480	0.4
59.01393	0.5
62.41642	0.6
62.90464	0.5
67.01590	0.6
67.01885	4.8
70.62241	0.5
111.00873	100.0
128.78452	0.6
134.03705	0.8
135.04497	2.3
148.05267	4.9
149.06000	1.1
158.70171	0.6
161.32162	0.6
167.02177	0.6
177.04301	1.3
178.05063	9.7
190.05147	1.2
201.88654	0.6
292.70840	0.6
297.10098	10.2
312.12445	57.9
474.17719	34.8
482.15964	0.9
586.29419	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77936	0.2
53.19555	0.2
57.26588	0.2
67.01891	5.1
68.33804	0.3
76.52041	0.3
111.00871	100.0
120.52316	0.3
128.86485	0.3
134.03766	0.6
135.04536	1.7
148.05275	4.1
149.06090	1.3
153.32986	0.3
159.42137	0.3
165.65887	0.3
176.03473	0.5
177.04315	0.5
178.05098	7.1
190.05051	0.4
297.06888	0.6
297.10034	7.9
298.10861	0.5
312.12433	41.7
403.07178	0.3
474.17758	31.5
586.19305	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17214	0.8
59.01379	5.6
61.98827	2.1
65.24700	0.8
71.01376	20.5
88.04032	3.4
89.02428	6.5
101.02428	8.5
101.50050	0.9
106.89324	0.8
113.02446	3.6
115.30743	0.8
119.03491	3.5
128.07146	1.2
146.08240	69.2
146.74937	0.8
149.02425	4.9
150.03210	1.8
161.04492	1.2
164.04793	10.7
176.01215	6.1
182.19153	0.9
190.02753	8.6
191.03564	13.0
200.09247	1.6
205.05080	25.3
209.04556	1.4
223.06165	12.7
263.11560	1.3
308.13568	8.9
313.75470	1.0
362.14651	1.8
380.15671	56.7
468.40543	0.9
586.21515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41130	1.1
61.98826	6.1
63.79461	1.1
66.21651	1.1
78.33005	1.4
78.95904	33.2
92.23067	1.5
96.97002	2.0
104.69582	1.1
145.62724	1.2
152.99583	100.0
171.00673	1.5
176.07211	16.8
215.51547	1.3
227.39130	1.1
244.91028	1.3
253.04353	1.3
255.23328	8.7
277.18475	1.2
281.24896	5.0
304.96201	1.3
310.50729	1.3
342.76233	1.4
409.23782	14.0
479.21188	1.4
586.31549	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
61.98831	100.0
66.01482	0.4
73.32636	0.5
78.63528	0.4
78.95916	0.6
80.27543	0.4
83.96863	0.4
103.64250	0.6
124.06758	0.5
128.21956	0.4
138.45685	0.5
211.96577	0.5
214.78842	0.5
277.21814	1.8
278.22134	2.3
279.22958	1.0
280.22385	0.5
378.87430	0.5
428.69989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15693	0.4
59.01376	1.0
61.98834	100.0
65.10582	0.5
91.81090	0.5
151.26741	0.5
163.68315	0.5
282.88095	0.6
420.64096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61917	0.7
51.29619	0.6
52.49640	0.6
54.09018	0.5
61.98830	100.0
69.35113	0.6
71.98160	0.6
76.65055	0.6
78.13274	0.6
104.83799	0.6
130.41052	0.8
153.43153	0.8
153.44492	0.7
181.93179	0.7
305.49774	0.8
536.38092	0.7
579.50812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70470	0.5
53.26417	0.7
53.81873	0.5
54.53180	0.6
60.92613	0.7
61.98830	100.0
67.45743	0.6
67.71287	0.6
82.14439	0.8
83.42842	0.7
85.84604	0.8
94.35368	0.6
329.03445	0.8
409.09912	0.9
472.52191	0.9
586.41412	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1779
Annotation	Dalbin
Peak:m/z	Relative Intensity
51.37134	0.6
53.05453	0.6
59.01379	5.4
62.12973	0.6
71.01373	1.6
72.95277	0.7
73.02939	0.9
74.83662	0.7
85.02976	0.7
87.00880	10.9
89.02466	1.2
99.00888	2.6
101.02422	1.4
106.27149	0.8
113.02432	0.7
117.03437	2.8
119.05022	7.1
133.02951	7.8
134.03766	3.4
135.04529	38.8
137.02385	1.5
137.09821	0.8
145.02946	34.1
160.57281	0.9
161.02444	100.0
163.04022	13.5
171.10298	8.2
179.03503	30.9
215.12813	5.8
258.78601	0.7
423.13080	1.5
425.14529	1.2
437.45709	0.9
441.08389	1.0
441.14185	20.7
587.17780	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1782
Annotation	Dalbin
Peak:m/z	Relative Intensity
52.46493	0.5
59.01376	1.2
69.48479	0.6
71.01376	4.3
73.02942	0.7
79.09434	0.7
80.63132	0.7
85.02956	4.9
91.05532	0.7
93.03476	7.9
97.02947	0.8
97.15009	0.6
100.70238	0.7
101.02444	1.5
106.04248	0.8
113.02430	3.0
115.04002	3.5
119.05023	54.7
121.06931	0.7
132.05815	6.2
143.06248	0.7
145.02925	1.0
145.06644	1.1
147.04584	1.1
161.02463	0.8
163.04018	40.0
177.05582	13.4
178.20419	0.7
180.06694	2.6
181.06955	1.0
210.06885	13.0
211.07677	82.4
237.09013	1.2
239.10796	22.6
248.41040	0.7
253.08694	0.8
283.09726	1.5
298.97632	0.7
310.64575	0.7
338.77579	0.7
509.69971	0.8
587.17841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23826	0.4
61.93472	0.4
71.01372	6.9
72.99313	1.2
82.03166	0.5
85.25344	0.4
89.02420	1.8
115.00360	34.4
118.16737	0.5
130.08751	0.8
131.04622	0.8
133.01428	100.0
133.05017	1.0
172.63164	0.5
224.78778	0.5
382.69470	0.5
413.00797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
64.54972	0.5
71.01362	0.9
74.96326	0.4
80.15839	0.4
89.02457	0.8
101.02454	0.8
113.02418	0.9
126.53458	0.5
133.02951	3.2
134.03723	2.3
135.04538	4.0
137.02437	0.7
147.92966	0.5
161.02440	100.0
165.05455	0.7
179.03520	5.4
193.04985	0.8
227.07135	2.1
263.09485	0.6
269.55704	0.5
292.37595	0.5
298.08698	0.7
321.34976	0.5
345.70361	0.7
396.32236	0.5
425.14600	38.9
587.19867	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
64.54972	0.5
71.01362	0.9
74.96326	0.4
80.15839	0.4
89.02457	0.8
101.02454	0.8
113.02418	0.9
126.53458	0.5
133.02951	3.2
134.03723	2.3
135.04538	4.0
137.02437	0.7
147.92966	0.5
161.02440	100.0
165.05455	0.7
179.03520	5.4
193.04985	0.8
227.07135	2.1
263.09485	0.6
269.55704	0.5
292.37595	0.5
298.08698	0.7
321.34976	0.5
345.70361	0.7
396.32236	0.5
425.14600	38.9
587.19867	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16714	0.6
59.01376	1.0
71.01379	2.5
73.02943	4.2
79.91468	0.6
83.01395	0.8
84.78499	0.5
85.02946	0.7
97.02933	0.8
101.02436	2.7
110.23724	0.6
113.02455	1.0
117.03526	0.7
118.70858	0.6
133.02956	5.3
135.04539	5.5
137.02498	0.7
161.02441	100.0
163.03995	0.6
165.05582	12.0
176.04907	0.6
179.03502	8.7
179.07109	4.0
189.05603	1.1
191.05557	0.7
207.06648	13.8
239.72681	0.6
274.63397	0.7
327.10654	0.8
389.12473	1.4
395.13403	0.7
425.14600	41.5
429.13593	0.7
456.05063	0.7
491.15839	0.7
496.26599	0.6
582.34985	0.8
587.19843	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
64.54972	0.5
71.01362	0.9
74.96326	0.4
80.15839	0.4
89.02457	0.8
101.02454	0.8
113.02418	0.9
126.53458	0.5
133.02951	3.2
134.03723	2.3
135.04538	4.0
137.02437	0.7
147.92966	0.5
161.02440	100.0
165.05455	0.7
179.03520	5.4
193.04985	0.8
227.07135	2.1
263.09485	0.6
269.55704	0.5
292.37595	0.5
298.08698	0.7
321.34976	0.5
345.70361	0.7
396.32236	0.5
425.14600	38.9
587.19867	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1992
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
59.01372	0.3
69.03481	0.4
71.01383	1.3
73.02923	0.5
85.02942	0.4
101.02432	1.4
113.02441	1.5
116.92910	0.3
132.43840	0.3
133.02934	3.5
133.22403	0.3
134.03737	0.3
135.04526	4.8
137.02408	0.4
138.22256	0.3
144.30225	0.3
159.03029	0.4
161.02444	100.0
173.04451	0.3
175.03963	1.1
177.03984	0.4
179.03510	7.0
191.05510	0.3
193.05119	0.7
377.58981	0.3
395.13605	1.0
396.33221	0.4
398.54788	0.3
425.14606	56.4
489.15881	0.5
587.19891	22.4
594.66168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1987
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
56.30782	0.2
59.01369	1.7
61.55416	0.3
63.41924	0.3
71.01380	1.4
89.02435	0.6
101.01854	0.3
101.02412	2.1
113.02427	0.6
117.03468	0.3
119.03454	0.3
133.02925	3.1
134.03728	0.6
135.04510	3.3
142.23344	0.3
161.02440	100.0
179.03505	5.1
180.66516	0.3
188.38611	0.3
356.59418	0.4
425.14590	70.6
468.97620	0.3
587.20013	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16714	0.6
59.01376	1.0
71.01379	2.5
73.02943	4.2
79.91468	0.6
83.01395	0.8
84.78499	0.5
85.02946	0.7
97.02933	0.8
101.02436	2.7
110.23724	0.6
113.02455	1.0
117.03526	0.7
118.70858	0.6
133.02956	5.3
135.04539	5.5
137.02498	0.7
161.02441	100.0
163.03995	0.6
165.05582	12.0
176.04907	0.6
179.03502	8.7
179.07109	4.0
189.05603	1.1
191.05557	0.7
207.06648	13.8
239.72681	0.6
274.63397	0.7
327.10654	0.8
389.12473	1.4
395.13403	0.7
425.14600	41.5
429.13593	0.7
456.05063	0.7
491.15839	0.7
496.26599	0.6
582.34985	0.8
587.19843	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41894	0.2
79.95711	1.3
81.56747	0.3
96.96001	100.0
122.36828	0.3
132.57755	0.4
135.25136	0.4
153.97803	0.4
169.44310	0.3
173.78772	0.3
225.64899	0.3
229.48375	0.3
269.56436	0.3
290.53979	0.4
298.68271	0.3
326.00070	0.4
587.20239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57000	0.2
53.33421	0.2
59.01367	0.7
60.10657	0.2
69.02929	0.3
71.01379	0.6
75.58286	0.3
78.95880	0.3
82.74960	0.2
85.02952	3.3
87.00856	0.3
89.02448	0.5
93.03433	0.4
101.02439	0.5
109.27369	0.3
111.00864	1.7
111.04507	0.6
113.02438	0.7
119.04955	0.3
127.04006	0.6
128.02544	0.3
134.04700	0.4
143.53293	0.3
147.36467	0.3
167.82574	0.3
171.92448	0.3
173.04489	0.4
179.03586	0.3
191.05626	100.0
293.75662	0.3
306.27011	0.3
374.80875	0.3
381.36279	0.3
404.24341	0.3
494.82294	0.3
497.00201	0.3
587.20160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
63.37302	0.2
71.01370	0.4
85.02950	2.4
87.00887	0.3
93.03426	0.8
110.83693	0.2
120.94610	0.2
127.03992	1.0
152.71252	0.2
173.04634	0.8
191.05635	100.0
213.76407	0.3
219.41048	0.2
345.76608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82458	0.5
50.95237	0.6
57.03452	0.7
59.01382	3.1
62.46121	0.6
71.01372	4.5
73.02947	1.7
74.29563	0.7
75.70485	0.7
85.02933	1.5
101.02438	6.3
113.02439	1.8
121.02943	1.1
123.71074	0.9
126.46391	0.8
138.58278	0.8
147.04536	5.3
149.02438	32.3
151.93825	0.8
161.04538	1.2
164.04797	96.6
175.00323	0.7
179.07132	9.9
189.75885	0.9
190.02731	12.9
199.98253	0.9
205.05025	16.9
208.03712	2.8
223.06125	100.0
249.13452	2.9
363.16711	1.3
399.56030	0.8
441.38318	0.8
587.23480	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.5
65.99146	1.4
69.75685	1.3
71.01385	1.4
84.25890	1.3
87.00889	2.1
89.02437	2.0
92.22496	2.1
101.02442	2.2
109.02941	1.6
116.92789	2.5
121.02963	3.2
122.03741	7.2
133.02948	2.3
134.03740	9.3
136.01721	1.5
137.02458	2.8
138.03214	2.9
138.33157	1.4
139.03983	1.6
145.02948	2.0
146.03839	1.8
147.04520	2.9
147.56708	1.5
149.02454	14.6
149.06093	15.0
150.03224	75.3
151.03984	2.5
152.04828	1.4
152.76935	1.6
153.49763	1.5
161.02344	2.0
161.06113	1.8
162.03317	2.0
164.04813	8.8
164.67661	1.5
165.05568	100.0
179.07172	3.3
180.04288	6.7
181.05055	9.5
195.06641	36.2
245.30453	1.8
287.30664	1.7
295.50705	1.4
331.11844	6.5
345.13525	3.3
359.15317	2.4
361.13013	14.8
376.15411	21.8
377.16116	5.7
391.17648	44.1
445.18753	2.4
506.00616	1.8
530.97540	1.8
539.22955	41.6
543.31812	6.7
551.23175	2.2
569.23877	14.6
587.25110	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79585	0.3
53.15582	0.4
58.73787	0.4
59.01381	0.6
59.93567	0.3
61.98820	0.8
62.32528	0.4
69.06225	0.4
84.26131	0.4
85.02957	1.9
86.27040	0.4
113.02443	100.0
118.25764	0.5
161.32912	0.5
161.53435	0.5
204.54877	0.4
214.14503	1.6
351.33221	0.4
414.41327	0.5
468.22534	0.5
586.57037	0.5
587.26294	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32552	0.6
54.49411	0.6
57.03448	0.8
59.01379	42.0
59.19796	0.6
61.98823	5.2
71.01375	30.6
71.61449	0.8
72.99306	1.1
73.02934	9.6
73.10409	0.7
75.00856	1.0
77.05228	0.7
83.01368	1.5
85.02949	10.8
87.00850	1.4
87.04508	1.6
89.02441	17.8
95.01349	1.4
96.95997	0.9
99.00874	4.3
101.02431	26.4
101.09745	0.7
113.02433	17.4
119.03486	4.7
131.03410	1.1
157.08699	4.7
159.03029	1.5
161.04539	6.8
165.41563	0.9
179.05571	1.3
190.02707	1.8
191.03029	1.4
205.05072	4.2
206.05406	1.5
207.05522	1.2
267.16068	1.1
389.21793	3.4
429.21335	100.0
474.89346	0.8
587.23224	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.8
59.66150	0.9
61.78779	1.1
61.98833	2.2
71.01379	29.5
72.99298	2.2
73.02933	6.5
79.54701	1.2
83.01418	1.7
83.92963	1.2
85.02933	10.7
87.00865	1.5
87.04500	1.9
89.02437	18.6
89.12951	1.3
95.01347	1.4
96.96002	1.7
99.00839	2.2
99.90381	1.3
101.02438	26.4
113.02437	17.3
119.03492	4.8
161.04524	8.1
171.10269	5.3
179.03546	1.7
179.05525	2.4
197.04485	2.0
257.60907	1.2
267.15921	2.1
429.21332	100.0
463.86319	1.3
587.27515	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.06047	0.8
71.01379	1.4
88.98821	1.2
97.02923	1.1
99.00883	17.8
103.76929	1.1
116.70731	1.0
125.09711	4.0
134.23582	1.2
163.11298	1.8
181.12373	14.4
199.13422	12.0
207.10291	30.2
225.11339	89.6
243.12370	52.2
309.70007	1.4
315.87213	1.0
332.65808	1.1
374.69690	1.2
525.31311	1.2
576.61768	1.1
587.27167	100.0
588.16376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12674	0.6
59.01375	4.0
61.98818	1.5
65.54419	0.6
65.61862	0.6
71.01379	0.9
72.14240	0.7
77.54155	0.7
85.02946	1.0
97.02903	1.8
99.00870	19.7
101.02428	1.2
101.83505	0.8
110.25588	0.6
113.02514	0.8
125.09687	5.4
155.14348	0.8
163.11295	4.1
171.10266	0.8
181.12343	21.6
199.13405	11.7
207.08324	1.2
207.10272	38.8
225.11336	84.6
226.69942	0.8
243.12376	63.4
327.21838	1.2
587.27155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75553	1.5
55.55408	1.7
59.01366	7.7
59.14750	1.7
71.41642	2.6
74.49104	1.6
77.36559	1.9
97.06593	2.5
97.20570	1.9
97.71670	1.7
111.08152	27.4
114.36123	1.8
122.96744	2.0
125.09719	66.3
173.08179	37.6
185.11934	4.0
187.09761	62.1
191.50929	2.2
214.14597	2.1
225.76176	2.0
247.11946	3.6
261.13425	12.0
291.19705	33.9
417.21164	3.1
527.28741	16.7
587.30817	100.0
587.40076	3.2
600.63397	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65312	0.6
59.01383	14.4
59.83049	0.6
60.46740	0.7
63.49208	0.6
71.01381	4.0
71.05013	18.3
73.07301	0.8
80.54808	0.7
81.05695	0.7
84.76028	0.8
85.02957	0.9
89.02429	2.9
97.06589	5.3
101.02431	5.2
113.02422	1.8
119.03458	1.4
157.12285	0.9
161.04544	1.2
175.14891	1.1
181.12364	1.9
195.13960	1.1
207.13882	4.0
219.13921	5.3
235.17041	5.4
237.92117	0.8
247.20531	2.4
253.09364	10.3
273.18546	1.5
291.19711	100.0
417.20886	0.8
527.28729	34.5
593.56781	0.9
610.01563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05857	0.7
52.89017	0.7
58.72880	0.8
58.93827	0.7
61.98829	2.0
83.28443	1.1
85.77754	0.8
95.29848	0.8
98.10043	1.0
119.05022	100.0
129.79768	0.9
163.04016	94.2
244.55884	1.0
270.21124	1.0
278.28271	1.0
361.87234	1.1
587.24213	1.0
587.32098	7.1
587.41766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
71.01380	6.0
95.76609	1.1
97.07378	1.2
116.42311	1.2
138.69781	1.1
172.50806	1.1
204.66818	1.3
218.40067	1.1
220.14700	35.6
221.15475	89.7
232.04408	1.3
236.10558	100.0
293.17627	78.5
423.72546	1.2
444.95621	1.3
502.60403	1.4
587.31451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	43.0
68.61054	0.5
71.01382	2.7
79.19389	0.5
89.02435	1.0
92.23079	0.9
101.02419	1.1
113.02415	0.6
118.55634	0.7
121.42538	0.6
124.87361	0.8
127.77827	0.7
175.81294	0.7
263.11514	4.6
281.24887	100.0
295.26389	0.9
382.83472	0.7
384.35950	0.7
527.35803	3.3
541.55579	0.7
587.43970	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	59.5
61.71849	0.5
78.07561	0.6
78.47773	0.6
85.02981	1.0
85.46877	0.8
101.02438	2.6
111.30328	0.6
124.65921	0.6
161.65102	0.6
171.10289	1.1
183.10353	0.9
183.13947	1.6
212.56087	0.7
222.27794	0.8
223.16983	1.2
231.16776	0.7
263.11493	1.4
275.20178	3.4
281.24881	100.0
288.43564	0.7
293.21359	8.0
301.95807	0.8
587.43567	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
83.05031	1.1
90.58647	1.0
97.06615	2.2
100.71100	1.1
111.04517	14.2
117.31628	1.1
136.05334	6.5
137.09613	1.2
153.12865	6.5
171.10277	6.1
183.13895	2.4
197.11862	7.7
211.13336	4.1
215.12807	1.3
225.01526	1.2
235.17152	1.1
237.18649	5.8
245.15451	1.6
247.17047	2.6
251.16333	1.6
253.18056	1.7
263.16571	9.0
265.18005	8.3
265.25696	1.0
273.14996	6.2
277.21738	83.8
281.17630	4.6
291.16071	16.4
291.19687	15.2
293.21237	2.4
294.14752	5.7
305.93274	1.1
309.17096	100.0
309.20706	34.8
327.21707	1.8
410.15170	1.3
509.80032	1.3
587.43335	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02004	1.5
55.11034	1.7
57.75385	1.5
59.01375	2.2
87.53140	1.6
90.94796	2.0
97.03970	1.9
103.22013	1.8
113.30047	2.0
121.10235	19.5
134.23598	1.8
161.12250	1.9
170.43184	1.9
171.10291	26.6
183.13950	11.7
190.65413	2.2
197.97836	2.1
231.21242	2.8
257.32050	2.1
263.74960	2.4
269.55542	2.0
275.20166	53.2
293.21271	100.0
313.40030	1.8
587.31543	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	45.2
60.72823	1.0
63.60271	1.2
69.06702	1.1
71.01395	1.1
101.50072	1.1
121.10204	5.0
122.06960	1.3
131.96910	1.2
154.03223	1.2
171.10274	12.5
183.10318	5.8
183.13875	15.8
195.13869	9.0
223.13446	2.4
223.17067	8.9
235.17102	11.5
253.21658	2.0
254.21994	1.7
255.23322	1.7
256.12979	1.3
266.23236	1.5
275.20200	25.6
277.21637	2.8
281.24866	73.8
291.19684	2.6
293.21255	71.1
295.22745	5.2
311.22333	9.5
587.43335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42238	1.5
54.33845	1.2
55.88698	1.4
57.61255	1.4
59.33751	1.8
61.98822	2.4
113.09740	12.0
143.49315	1.7
161.84206	1.7
167.10815	1.5
195.13979	2.2
199.15620	1.9
242.00935	1.5
243.32935	1.5
293.21252	100.0
309.06454	1.9
355.68112	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34290	0.8
56.73590	0.7
57.03452	0.9
59.01380	1.2
61.98831	0.8
72.53003	0.8
74.31407	0.7
80.87681	0.8
98.82694	0.8
100.35559	0.8
113.09730	13.0
118.38602	0.9
139.11304	1.4
147.82568	0.8
167.10724	1.7
179.10762	1.8
191.64713	0.7
195.13898	1.9
230.29337	0.8
249.22218	1.9
254.13116	0.9
293.21262	100.0
471.68576	1.0
582.64264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15501	1.3
94.24503	1.5
102.33678	1.8
124.66978	1.6
125.09695	2.5
141.41707	1.6
185.11809	10.3
241.92769	1.8
293.21262	100.0
316.19046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67836	0.8
60.73766	0.8
61.98847	1.1
64.46434	0.8
107.74107	1.0
125.09675	2.1
133.03325	0.9
155.39928	0.9
185.11794	7.6
197.12065	1.4
250.55319	1.3
279.23251	1.5
293.21268	100.0
354.75348	1.1
433.76251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4327
Annotation	Basilimoside
Peak:m/z	Relative Intensity
57.58570	1.0
58.92206	1.0
61.98831	1.6
104.84103	1.0
109.34302	1.0
121.10188	4.4
147.45813	1.1
156.86067	1.1
171.10265	10.9
183.10271	7.2
183.13921	14.2
195.13937	5.0
223.17004	9.2
235.17068	9.9
244.38324	1.1
255.23529	1.5
275.20233	24.5
277.21658	5.8
291.19742	4.5
293.21268	61.5
295.22769	14.8
311.22366	12.3
352.69620	1.2
587.43372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18899	1.1
57.56331	1.2
59.01377	3.4
71.05013	1.5
83.05043	1.4
88.88322	1.5
111.08205	1.8
123.49800	1.5
123.76685	1.4
136.54433	1.5
137.09680	1.6
171.10355	2.4
183.13876	6.4
195.13873	8.9
197.11888	6.1
207.13972	2.9
207.17578	2.2
209.15517	14.6
211.13481	5.4
216.85881	1.5
223.17059	14.4
223.18956	1.7
225.14969	25.7
233.15480	8.1
251.16536	21.7
263.20358	1.8
277.21765	84.8
291.19788	10.4
309.20758	100.0
327.21768	2.5
587.34015	2.5
587.43237	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12283	0.7
71.01373	8.0
72.71268	0.8
89.02398	1.1
111.00866	1.0
111.17802	1.0
113.50539	1.0
114.99741	1.2
115.00358	40.3
133.01419	100.0
204.91489	0.9
235.63406	0.9
247.83568	0.9
252.10381	1.0
302.93710	0.9
355.96268	1.0
593.95184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59668	0.7
61.65364	0.6
62.21365	0.8
68.54101	0.8
71.01380	6.7
72.43883	0.7
72.99313	1.2
86.01403	0.8
86.69254	0.7
89.02425	1.0
99.12874	0.7
112.15333	0.8
115.00366	34.9
133.01427	100.0
144.96170	0.7
149.98392	0.8
155.99112	0.7
166.96199	0.8
192.62170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55283	1.0
59.01385	24.7
60.99296	7.6
67.01865	3.0
69.38458	1.2
71.01374	21.5
73.02938	6.6
78.33314	1.3
83.01385	2.0
85.02950	8.3
87.00911	1.4
88.98795	73.4
89.02438	11.4
99.00861	1.6
101.02446	21.8
111.00866	100.0
112.01201	15.0
113.01337	5.3
113.02428	18.5
121.02950	1.3
129.01894	1.3
138.01981	7.1
151.02728	5.2
152.03517	4.8
159.02966	1.8
161.04523	10.7
178.05080	2.7
179.05557	1.7
186.98868	1.2
187.95985	1.2
196.95206	1.2
297.09973	1.7
298.10590	1.7
299.10867	1.7
306.04135	14.1
312.12463	13.6
313.12668	13.4
314.09079	4.4
314.12991	11.0
321.06519	7.8
336.08768	11.9
366.06345	12.0
435.55630	1.4
441.53958	1.4
475.18015	5.2
476.13629	79.2
495.45953	1.4
498.14157	14.1
534.51929	1.8
588.15063	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83669	1.0
59.01380	2.4
59.86312	1.0
61.98833	100.0
64.93675	0.9
65.77513	1.0
66.00973	1.0
71.01360	1.3
74.27018	1.2
75.86372	0.9
78.86322	1.1
85.82587	1.0
89.02422	1.3
113.02430	11.9
134.03705	1.2
135.43556	1.1
137.19208	1.1
140.86348	1.0
141.19794	1.4
145.02986	1.3
146.03726	1.1
149.02385	1.5
149.85172	1.1
150.03224	14.9
151.03593	2.2
154.19577	1.2
161.02422	1.5
163.03955	1.1
165.05580	18.6
166.05951	10.0
167.11656	1.1
180.04250	1.6
193.39926	1.3
195.06648	6.1
196.06892	2.0
248.64886	1.0
281.03641	1.1
287.14362	1.2
303.01199	1.1
362.13065	1.6
391.17346	1.7
392.17886	9.5
455.06335	1.2
540.23199	6.7
570.24207	2.2
588.25177	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55283	1.0
59.01385	24.7
60.99296	7.6
67.01865	3.0
69.38458	1.2
71.01374	21.5
73.02938	6.6
78.33314	1.3
83.01385	2.0
85.02950	8.3
87.00911	1.4
88.98795	73.4
89.02438	11.4
99.00861	1.6
101.02446	21.8
111.00866	100.0
112.01201	15.0
113.01337	5.3
113.02428	18.5
121.02950	1.3
129.01894	1.3
138.01981	7.1
151.02728	5.2
152.03517	4.8
159.02966	1.8
161.04523	10.7
178.05080	2.7
179.05557	1.7
186.98868	1.2
187.95985	1.2
196.95206	1.2
297.09973	1.7
298.10590	1.7
299.10867	1.7
306.04135	14.1
312.12463	13.6
313.12668	13.4
314.09079	4.4
314.12991	11.0
321.06519	7.8
336.08768	11.9
366.06345	12.0
435.55630	1.4
441.53958	1.4
475.18015	5.2
476.13629	79.2
495.45953	1.4
498.14157	14.1
534.51929	1.8
588.15063	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50800	0.5
54.29710	0.6
61.98819	1.2
70.45666	0.6
79.01891	3.4
79.90382	0.7
83.59831	0.6
87.80239	0.8
91.95123	0.7
150.03217	5.4
171.04532	6.9
178.02644	5.2
183.08139	9.1
228.17635	0.8
278.08215	1.6
283.09793	3.9
306.07669	3.2
332.09558	1.0
345.06436	3.7
356.09293	1.5
360.08731	4.5
370.11047	1.0
384.12857	0.9
410.10657	1.1
434.13632	0.8
496.64249	0.9
514.12854	0.9
528.14404	3.9
588.16724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35476	0.6
59.01385	44.0
59.01685	1.5
73.01357	0.7
103.55296	0.7
171.07539	0.7
177.19319	0.8
213.80299	0.8
270.63055	0.8
307.05270	1.0
308.05615	6.3
322.07236	15.9
323.08011	5.4
335.06015	0.9
336.05200	34.4
337.09650	4.1
338.10361	1.1
350.06668	3.7
351.07492	30.5
366.09860	100.0
551.51355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28117	0.6
59.01379	1.7
61.98832	100.0
63.40379	0.6
67.61634	0.7
71.01362	0.8
83.08925	0.8
101.02414	1.0
119.05028	8.7
145.02942	4.7
156.65018	0.7
163.04010	21.4
269.72812	0.8
283.13934	0.8
359.56210	0.8
399.51349	0.8
525.19849	33.0
528.32465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02971	0.3
54.95927	0.3
59.01382	1.4
61.98832	100.0
73.33395	0.3
73.56085	0.3
79.78268	0.4
82.86328	0.4
94.24369	0.4
105.03980	0.3
121.22539	0.4
130.09448	0.4
181.79865	0.4
223.50517	0.4
225.81189	0.5
280.23734	1.7
281.24036	0.8
282.24228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
59.90699	0.3
61.98835	100.0
64.02161	0.4
65.29744	0.3
85.20193	0.4
88.58850	0.4
94.80556	0.3
114.51511	0.4
138.43172	0.3
172.97934	0.4
222.82014	0.4
280.23724	1.5
281.24069	0.5
397.33234	0.5
407.31128	0.4
461.12610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95724	3.0
80.96513	6.4
209.19189	0.7
255.19630	1.8
276.04117	0.3
317.21588	1.4
332.22894	1.2
333.21042	9.7
350.23746	14.5
378.23380	2.4
392.80835	0.4
588.43091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70301	0.3
69.94083	0.4
71.67614	0.4
79.95727	3.6
80.96508	5.1
86.23011	0.4
87.39326	0.3
157.36557	0.4
186.66148	0.4
200.13524	0.4
209.19125	0.7
228.43161	0.4
255.19670	0.9
277.21716	0.4
309.20804	0.4
317.21524	1.9
332.22607	1.5
333.21121	8.1
350.23730	15.4
352.72830	0.4
378.23260	2.5
588.43103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55954	1.1
92.05978	1.6
92.22536	2.1
150.07077	1.4
184.58424	1.5
200.75652	1.5
225.22287	7.5
296.26126	1.7
441.23752	1.9
551.08881	1.7
552.50079	29.7
588.47900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82756	5.4
67.91206	6.8
97.56027	6.3
107.03889	6.3
108.76382	6.4
120.13744	6.2
238.92102	7.2
277.69830	6.5
360.69110	8.9
361.57986	6.4
588.48163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76399	0.3
59.01383	3.3
61.98832	100.0
63.36708	0.5
65.34990	0.3
69.56953	0.3
71.01389	1.7
72.19971	0.3
72.81929	0.3
72.99316	0.4
80.41261	0.3
85.02939	1.0
89.02455	0.5
101.02419	1.4
107.16419	0.4
113.02443	1.7
154.98515	0.4
167.45303	0.4
171.10387	0.6
278.99625	0.4
285.26962	0.4
297.46231	0.4
365.08749	0.8
366.08627	0.7
367.09180	1.7
377.97998	0.5
485.23856	3.3
503.25180	2.6
545.26508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
65.03963	0.4
71.01400	0.5
75.00844	0.3
81.03455	6.7
83.01401	0.4
83.05024	5.9
93.03443	4.1
96.96029	0.6
101.02432	0.4
103.32456	0.4
109.02949	3.3
111.04514	51.6
115.62891	0.3
127.04008	100.0
134.03755	0.7
137.02434	6.9
143.75771	0.3
150.03220	1.3
155.03506	62.8
165.05521	2.8
169.00468	0.3
178.02766	0.8
193.05083	1.4
199.02501	71.5
217.35722	0.3
325.49228	0.4
332.94125	0.4
389.11975	0.4
488.90717	0.4
589.15784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07892	0.9
58.63151	0.7
59.01390	1.4
67.41809	0.7
69.69131	0.7
71.32941	0.8
75.72655	0.8
78.99579	0.8
81.03474	6.4
82.53310	0.8
83.05013	4.3
90.61397	0.9
93.03443	2.1
109.02956	2.0
111.04518	48.5
127.04012	100.0
128.84111	0.9
137.02452	8.6
146.62717	0.9
155.03503	60.3
165.05630	1.7
165.79234	0.8
166.83392	0.8
180.50937	1.0
199.02505	67.2
208.46524	1.0
304.67606	1.0
589.16107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
61.98824	1.1
69.94012	0.6
71.01369	1.2
76.69712	0.7
84.98970	0.6
87.77393	0.6
89.02426	1.4
95.01385	1.0
97.02925	2.7
99.01993	1.5
101.02426	0.9
107.05031	0.9
109.02934	0.7
113.02409	0.7
123.04480	1.1
135.04482	3.5
137.02426	12.6
138.03220	8.1
145.85118	0.7
149.02330	0.8
151.04007	7.7
151.08734	2.8
153.05565	5.2
154.08855	0.8
165.05501	1.2
166.02667	1.1
179.07166	1.1
181.05055	25.7
182.05859	37.1
183.06631	100.0
193.02550	0.6
193.05057	0.6
209.08095	0.9
214.11311	0.7
215.28989	0.7
223.06111	0.7
235.06181	8.2
241.05264	0.6
243.48837	0.8
244.07222	0.9
259.09760	1.0
269.04691	1.0
283.06000	1.0
284.07040	1.0
299.09418	1.2
311.09451	1.0
313.07355	0.8
331.11948	1.3
343.08231	1.1
343.11902	1.0
345.09909	1.2
361.12900	0.9
375.10922	0.9
387.10538	1.1
405.12070	5.0
427.16315	5.9
527.15350	1.0
543.24408	1.1
571.17938	7.4
589.19196	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58446	1.9
59.01372	3.7
68.83118	2.1
71.01379	4.8
74.96932	1.8
85.02968	2.4
88.98800	14.5
89.02417	2.1
89.67620	2.4
99.02000	24.9
101.02470	4.0
113.02456	3.4
113.03578	4.4
113.39209	2.0
119.05009	4.8
137.02522	3.7
138.03221	5.2
151.04022	3.1
151.05228	2.2
151.08772	30.7
153.02049	2.0
153.05582	4.8
165.05588	2.2
180.06752	3.8
181.05081	52.2
182.05844	100.0
190.09863	4.3
196.07455	15.0
197.08208	70.5
197.09891	4.0
201.05626	12.7
206.09361	4.9
208.07541	3.7
215.07138	4.1
216.07971	14.2
219.07742	11.7
231.07802	4.3
231.10260	4.6
243.06682	17.0
245.08159	4.1
251.09366	16.1
255.06679	13.1
258.09003	5.4
259.08151	3.4
269.10364	5.0
273.07758	14.4
273.11337	4.9
275.09314	8.4
303.12482	9.2
317.10199	4.5
329.10468	4.7
347.11414	13.6
383.17282	13.5
391.10522	3.5
427.16290	94.8
454.48648	2.4
545.20538	13.6
589.19885	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93195	0.7
54.68116	0.6
55.01878	0.9
59.01383	7.3
65.78588	0.6
71.01364	6.3
73.02940	18.2
83.05036	3.6
85.02946	5.4
89.02428	7.3
93.03448	39.4
97.02918	0.8
99.00885	7.4
99.04527	7.2
101.02441	6.7
111.04511	25.7
113.02453	1.6
119.03558	1.1
129.01921	4.1
137.02426	16.0
143.03520	4.8
151.77505	0.8
155.03500	15.3
161.04543	1.2
173.04550	100.0
174.74687	0.7
182.35641	0.9
182.37483	0.8
182.58209	0.8
191.05643	7.3
196.45313	0.8
221.04446	0.9
223.03528	0.8
246.97856	11.0
415.14630	44.0
589.19916	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03470	1.5
93.03439	12.2
93.23907	0.7
106.04245	4.7
107.05016	5.5
108.02234	1.1
109.02962	5.6
115.46719	0.8
121.02943	41.4
123.04501	9.2
133.02953	12.0
135.00883	1.2
151.03999	100.0
153.05569	1.9
165.05516	9.2
167.03476	31.2
167.04826	1.5
174.02650	0.8
181.05190	2.3
183.06546	2.8
195.02988	36.9
214.97966	0.8
227.05637	19.3
227.12918	3.3
227.20230	0.9
287.63248	0.9
308.41431	0.9
320.54944	0.9
340.39639	0.8
547.17865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94246	1.5
55.31022	1.4
59.01363	2.4
70.31378	1.5
72.99277	2.5
81.03466	3.0
93.03433	15.9
101.02413	2.5
106.04255	2.9
109.02908	3.6
117.51170	1.5
117.82816	1.5
121.02951	44.9
123.04546	11.7
133.02940	18.2
135.00876	1.9
151.04008	100.0
165.05580	8.1
167.03488	46.6
183.10265	2.3
195.02997	45.9
197.04559	3.7
210.95322	1.7
216.02881	1.9
227.05592	24.9
227.09100	3.5
227.20244	7.0
292.49579	1.7
312.04233	1.6
391.78619	2.0
443.20657	1.8
589.17462	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17639	0.8
59.01381	6.7
60.52487	1.1
65.13507	0.9
71.01373	4.3
73.02944	18.1
83.01382	6.1
85.02949	2.4
88.84479	1.2
89.02447	2.2
101.02442	9.7
103.03989	11.9
113.02441	2.0
119.04957	1.9
161.04556	6.2
163.04053	8.0
165.05568	54.1
179.07127	30.7
189.05573	9.2
193.05034	1.6
207.06648	100.0
219.06573	1.6
237.07649	1.5
267.08875	1.2
327.10779	2.2
369.11719	1.3
425.61951	1.2
427.16245	7.7
502.62186	1.4
529.26605	1.6
589.21466	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74690	2.2
59.01383	39.8
61.98830	2.7
71.01385	9.5
73.02923	4.2
75.17552	2.2
85.02946	3.5
89.02412	4.3
93.03420	2.8
101.02423	11.6
105.10462	2.6
109.02995	2.7
113.02437	8.6
119.03419	3.1
121.02947	22.6
137.06075	17.1
145.02995	2.6
161.04550	13.0
163.04019	57.0
165.05556	15.9
167.59663	2.0
168.43718	2.1
173.04599	3.4
181.05069	76.3
191.05621	3.5
211.07545	3.5
223.06125	10.9
259.45599	2.7
263.11234	10.0
393.13400	2.6
427.16159	100.0
589.21381	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45122	1.3
52.93646	1.3
58.10962	1.4
58.28284	1.6
59.01386	2.6
60.58904	1.5
83.66644	1.6
84.02187	1.7
89.02436	2.0
99.02007	19.2
119.05099	2.4
137.02431	3.0
138.03189	3.9
151.04036	2.0
151.08786	26.8
153.05583	3.1
164.77621	1.6
180.06569	6.6
181.05098	47.1
182.05873	100.0
188.94841	2.0
190.09889	3.6
196.07425	10.6
197.08191	68.7
201.05568	11.0
203.07143	2.6
206.09428	2.4
215.07141	3.1
216.07805	12.2
218.09438	4.0
219.07751	8.4
227.07108	2.3
231.07867	2.2
231.10172	6.2
243.06612	16.4
245.08208	3.5
251.09279	12.5
255.06639	8.9
257.08298	4.2
258.09070	7.0
270.09048	3.9
273.07742	12.0
273.11337	4.2
275.09256	9.9
285.11328	2.6
288.10001	3.6
303.12473	8.0
317.10434	4.0
329.10306	3.8
347.11420	17.7
383.17160	9.2
391.10229	2.4
427.16293	55.9
469.17142	3.3
545.20325	9.2
589.19580	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2466
Annotation	Swietenin F
Peak:m/z	Relative Intensity
57.69277	1.1
61.98829	2.4
69.35441	0.9
70.70749	0.9
73.65260	1.0
86.44683	1.0
97.13124	1.1
108.68990	1.0
173.75230	1.1
457.23865	1.4
470.20926	2.1
471.21964	78.1
485.23639	33.6
486.24265	4.3
498.20920	12.1
513.23016	100.0
530.23297	24.4
545.25677	86.3
589.24640	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2466
Annotation	Swietenin F
Peak:m/z	Relative Intensity
58.29076	1.2
59.01390	1.3
61.98819	2.8
63.43856	1.3
67.30370	1.2
114.08099	1.3
155.82101	1.6
171.31747	1.6
352.61969	1.7
435.91019	1.5
443.22400	1.8
470.21167	2.3
471.21942	78.8
485.23627	33.0
486.24014	1.7
498.20731	10.4
513.23004	100.0
515.21051	1.5
519.07147	1.7
530.23309	30.7
545.25659	97.6
585.86920	1.5
589.24652	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26491	1.6
54.95908	1.5
59.01104	3.5
59.01387	100.0
64.11565	1.9
71.01387	35.3
73.02947	85.2
83.01370	16.9
85.02979	6.5
87.00868	3.2
89.02448	15.0
91.74461	1.7
101.02446	70.4
104.85132	1.8
113.02451	35.3
114.02717	2.7
119.03487	8.8
129.06464	2.0
131.03500	3.7
143.03535	2.3
149.04543	12.7
161.04591	25.7
175.14978	2.9
203.05664	2.3
203.14461	2.8
206.02213	2.0
221.06683	30.7
233.15497	21.3
455.22968	25.4
485.24075	3.2
545.26141	3.1
589.16681	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98825	6.5
75.92374	2.9
77.76981	2.9
81.53651	3.3
82.34200	3.3
94.47201	3.1
97.06582	3.4
101.02442	4.3
117.46461	3.1
146.58049	3.1
253.09311	4.2
274.18021	3.5
293.17883	6.3
293.21185	100.0
391.25177	4.1
529.30518	28.3
589.27393	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84323	4.0
59.01387	7.2
61.98809	9.7
75.76901	4.7
109.13639	5.1
113.02424	33.2
116.66252	4.7
123.87098	5.1
192.00714	5.1
253.09273	8.0
293.21210	12.8
296.23303	6.2
441.70816	6.0
495.62793	5.1
553.95569	6.1
589.27948	100.0
589.36572	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81461	1.9
58.84107	2.1
59.01391	11.0
59.19357	2.3
61.98845	4.1
62.86346	2.3
67.48906	2.1
70.77292	2.2
82.35982	2.4
111.58994	2.3
113.09749	2.5
139.11285	2.9
152.85593	2.6
170.68759	3.3
218.62172	3.2
253.09369	5.9
293.21292	100.0
529.30304	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
61.98840	1.7
71.01388	1.3
87.67805	1.2
89.02456	4.6
101.02456	2.4
113.02394	1.2
113.09712	6.6
120.69395	1.0
128.27469	0.9
158.90335	1.1
167.10776	2.0
171.10223	2.3
187.89787	1.1
195.13847	1.7
253.09288	10.9
275.20111	4.4
291.19745	1.7
293.21265	100.0
336.65900	1.3
444.93701	1.1
529.30249	21.4
589.35400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44421	0.6
72.99298	2.8
75.00871	100.0
91.51929	0.7
108.59993	0.6
113.02342	0.9
202.20912	0.8
361.44968	0.7
374.50537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86170	1.3
55.15506	1.4
56.87215	1.5
59.01379	19.3
59.43270	1.2
61.98827	1.4
68.70734	1.6
69.15483	1.4
71.01389	2.8
89.02419	8.4
89.82908	1.6
101.02427	10.5
113.02454	4.0
119.03460	2.4
121.10225	23.1
136.11385	1.7
137.56772	1.7
161.04510	3.5
171.10255	68.3
195.13942	6.8
223.13440	2.4
231.21190	2.7
253.09291	41.5
275.20187	100.0
290.98416	1.8
293.21234	90.1
338.03952	1.8
407.19223	9.8
511.29181	7.3
529.30389	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26379	1.5
59.01382	16.4
60.88186	1.8
69.85786	2.0
71.01379	5.0
71.04988	1.9
89.02445	8.0
89.88898	1.9
92.22590	2.6
94.56447	1.9
101.02428	12.1
113.02457	4.9
113.70640	1.8
142.04776	2.3
144.20149	2.0
161.04523	2.6
171.10315	17.0
172.15488	2.3
231.21049	2.5
235.17055	55.1
253.09302	44.5
275.20187	100.0
293.21265	82.8
471.26102	3.1
511.29047	12.6
529.30280	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41338	0.9
54.35592	0.9
59.01375	7.1
61.01239	0.8
61.84412	1.0
62.53848	0.8
65.84067	0.9
69.97501	0.9
71.01366	2.0
88.59208	1.2
89.02442	1.7
101.02428	1.9
125.09699	1.5
165.83730	1.0
178.06989	1.3
185.11806	6.5
197.11795	1.7
235.96573	1.3
253.09280	6.7
293.21243	100.0
434.85205	1.2
455.09998	1.1
467.89349	1.2
529.30121	27.4
548.43140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3393
Annotation	2',3',4'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
Peak:m/z	Relative Intensity
58.10630	2.0
59.01387	31.3
67.81260	2.1
71.01374	14.5
78.95898	4.9
89.02439	13.8
92.22531	2.6
101.02436	13.3
113.02407	2.5
116.75575	2.2
126.53344	2.4
152.99634	2.8
155.52832	2.4
159.10193	3.2
201.09285	3.9
201.77066	2.6
256.14728	16.0
281.15521	4.1
293.21399	4.1
340.20547	3.6
384.07471	2.4
459.81329	2.6
520.26685	4.6
589.33936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97581	0.9
59.01381	31.9
61.51585	0.9
61.98833	3.5
71.01378	17.0
73.02965	1.3
85.02957	6.0
89.02437	16.0
101.02432	14.4
104.17737	0.9
113.02444	8.3
119.03468	4.7
150.57788	1.0
201.09154	4.9
215.59975	1.1
221.75571	1.1
227.10782	1.4
241.12234	1.7
253.09471	2.1
255.13847	1.2
256.14755	24.6
267.14108	1.3
270.15884	1.3
281.15509	6.5
293.21265	22.0
312.88559	1.1
339.23218	3.8
340.20459	5.6
351.23355	1.4
358.21497	1.4
371.22186	1.2
409.27557	7.3
427.28714	5.4
520.26685	11.4
529.30457	4.3
569.98212	1.3
589.33893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3521
Annotation	Egonol Oleate
Peak:m/z	Relative Intensity
53.72669	2.8
61.15364	3.9
65.81804	3.7
78.95904	57.1
92.22578	4.9
96.96914	4.9
107.44205	3.2
109.54923	3.2
152.99567	86.1
171.10260	73.3
176.38516	3.7
197.11819	35.8
255.23312	83.9
281.24966	31.4
307.09467	13.6
391.22516	7.5
409.23889	4.1
412.25143	3.7
417.23959	5.3
500.32785	3.5
512.99261	3.8
589.35132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59217	0.4
56.78072	0.4
59.01381	3.6
59.30466	0.4
63.56534	0.5
68.79195	0.7
71.01374	1.2
83.05041	1.1
88.98804	2.1
89.02439	7.3
101.02452	0.6
105.94878	0.6
111.04494	0.8
111.08163	6.2
113.02416	0.7
115.04053	0.6
122.21703	0.5
127.04014	3.2
127.11290	3.2
133.02957	0.7
141.47581	0.5
153.09218	13.7
155.03412	1.1
171.10277	100.0
173.37752	0.5
191.05602	0.7
199.02446	2.2
215.31480	0.6
217.03502	2.4
270.08124	0.6
332.11389	0.6
373.12982	0.9
396.87091	0.6
417.24878	2.8
589.33038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84571	0.6
55.84858	0.4
59.01376	5.1
59.34557	0.5
69.75659	0.5
71.01371	4.1
73.02943	1.2
80.48505	0.5
83.05054	1.0
85.02953	1.3
87.00869	0.9
88.98811	4.3
89.02451	3.8
99.00911	0.5
101.02456	3.8
111.04511	0.7
113.02437	1.3
119.03535	0.8
125.09763	0.9
126.28139	0.6
127.04028	3.1
127.11316	0.9
132.33475	0.5
145.76472	0.5
148.47995	0.5
155.03499	0.6
161.04559	1.0
165.51402	0.5
171.10274	100.0
191.05719	0.7
199.02460	0.7
209.11888	0.7
229.14354	0.6
319.81033	0.6
347.96466	0.6
417.24976	16.7
589.32916	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13092	0.5
59.01373	1.0
61.21322	0.4
68.40238	0.5
71.84283	0.4
76.52454	0.5
80.07450	0.4
89.15419	0.5
116.09931	0.5
133.02934	0.6
134.03671	0.8
161.02438	11.6
162.73386	0.5
179.03531	0.7
391.96051	0.5
589.39020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45323	1.3
56.75320	1.0
58.52771	1.1
59.01369	1.6
76.25078	1.2
84.20232	1.2
107.92354	1.1
113.09698	2.5
121.10225	1.4
123.93124	1.3
139.11287	16.6
148.25903	1.3
149.29021	1.3
151.87962	1.5
163.05090	2.1
171.10272	28.1
183.13918	1.6
189.79121	1.2
197.11722	1.7
197.73434	1.3
211.13428	13.3
213.00642	1.4
228.64191	1.2
229.14297	1.9
240.13525	1.2
251.57050	1.3
255.23045	1.5
264.21814	1.3
277.21732	81.8
291.20001	1.4
293.21277	25.9
309.61633	1.4
311.22299	55.7
328.94095	1.3
329.23325	10.1
589.36334	3.8
589.44708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47941	0.9
59.01341	1.4
76.20871	0.9
78.95898	2.2
109.29068	0.9
129.31783	1.0
152.99530	3.4
171.10284	1.3
200.20349	1.1
237.18605	100.0
279.23325	1.7
280.23712	1.1
333.37949	1.2
589.34509	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60831	1.2
59.01380	1.6
78.95912	8.6
104.87164	1.3
111.08179	1.9
113.09717	16.0
152.99557	2.0
164.83902	1.3
167.10759	1.8
171.10231	11.7
173.08223	3.2
195.13802	1.5
228.57552	1.6
249.22183	1.6
277.21790	17.1
279.23218	1.8
293.21259	100.0
294.21616	2.6
295.22797	30.5
415.13113	1.6
430.87811	1.7
589.31677	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
80.50781	2.9
95.53664	3.5
115.22377	4.2
119.14037	3.0
139.11298	6.7
171.10280	37.0
185.11800	6.5
197.11882	14.7
201.11420	6.1
211.13445	8.1
250.24532	4.0
251.16479	13.3
276.98828	3.4
277.21719	63.2
279.23270	36.5
293.21194	17.4
309.20749	61.4
311.22394	70.3
589.44727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66291	3.2
58.23919	3.4
59.01372	3.9
61.98818	4.0
69.44579	3.8
84.19302	4.1
114.67884	4.3
119.08678	4.9
127.11267	4.5
137.09737	8.3
159.25726	4.8
171.10289	56.1
197.11818	9.8
210.39394	5.2
211.13461	9.3
225.14879	7.5
277.21695	16.9
279.23285	100.0
291.19736	8.4
309.20734	80.3
311.22260	22.2
589.44623	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43392	7.4
52.26545	6.8
88.10818	7.6
124.00481	9.2
126.51757	8.3
165.12830	9.2
182.09471	8.0
216.54770	8.7
265.42166	8.5
279.23291	34.1
291.19742	44.9
309.20798	100.0
377.28510	8.4
435.20187	9.1
502.05948	11.6
551.32727	9.9
558.37921	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75087	0.7
55.72357	0.9
56.11282	0.7
56.47571	0.7
58.87881	0.8
70.16695	0.8
72.07573	0.8
79.95244	0.7
79.95734	1.6
85.02928	1.0
97.02927	1.5
109.06506	1.1
117.62212	0.9
125.05984	0.8
127.07552	1.0
129.09190	1.3
139.11319	1.6
171.10240	8.1
181.12337	1.5
183.13901	13.4
197.11832	1.5
211.13414	8.8
223.17035	1.1
233.15492	4.0
251.16568	4.3
255.19576	1.6
262.52106	1.1
275.20010	0.9
277.21735	23.3
279.23328	54.1
291.19669	9.5
293.21271	9.9
295.22833	5.4
309.20703	24.3
311.22339	20.6
327.21909	2.0
333.21008	1.0
350.23810	1.5
398.26855	1.0
439.64392	1.0
589.44647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34716	1.7
56.40078	1.9
82.09916	1.9
84.27296	2.0
99.08128	2.8
113.09763	2.8
118.25621	2.6
129.09210	5.2
139.11249	2.7
159.81305	2.2
169.12352	2.5
171.10275	12.6
181.12308	3.0
183.13910	3.1
195.13853	3.0
197.11826	11.0
199.13474	9.3
211.13412	34.4
221.00096	2.3
248.86699	2.2
277.21738	71.3
279.23285	27.6
291.19659	4.8
293.21289	21.0
295.22705	3.4
309.20688	12.9
311.22308	95.6
329.23367	3.7
408.38937	2.2
559.70758	2.3
586.97046	2.3
589.44861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17506	0.5
56.79122	0.5
60.99307	11.3
71.15199	0.5
76.05806	0.6
88.98800	100.0
90.03593	0.6
91.79639	0.7
225.28885	0.6
338.10538	2.4
381.91879	0.6
382.00339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62816	1.7
56.08853	1.8
57.06022	1.9
62.35266	2.2
68.70665	1.9
72.99287	2.2
77.82577	1.8
122.20451	2.0
124.04030	4.2
125.06045	4.7
130.08751	46.6
169.05055	3.2
170.11804	2.7
172.09810	39.4
202.05548	2.2
216.05153	100.0
216.12387	3.7
219.75349	2.3
292.52600	3.0
425.13501	2.6
437.71655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52983	1.3
53.19070	1.4
59.01380	2.6
59.28828	1.6
71.01357	1.4
73.02946	3.4
81.46353	1.6
92.23132	3.2
113.02444	41.3
115.04009	1.7
116.92850	23.6
117.01917	14.5
117.92847	12.7
118.01460	100.0
118.02293	4.3
127.03988	3.8
199.02602	1.8
317.93021	1.8
366.23212	2.0
384.67395	1.6
404.14957	2.1
520.63068	1.8
533.53107	1.8
590.17291	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.8
80.95856	1.0
83.68082	1.0
150.03214	7.2
170.91495	1.0
171.04474	1.6
173.05975	1.0
178.02693	7.3
178.86481	1.0
179.51514	1.0
210.06946	1.3
227.93950	1.1
249.56258	1.0
250.55496	1.0
251.98810	1.2
271.52194	1.1
283.09808	6.1
292.06238	2.2
293.07101	5.8
294.08179	1.3
307.08569	2.0
319.08633	1.7
320.09265	1.6
344.09064	1.4
347.08234	4.3
359.11926	1.5
362.10287	6.1
372.43332	1.1
389.43378	1.1
400.12256	1.5
433.68457	1.1
440.11560	1.5
467.18396	1.1
474.13144	1.4
482.05466	1.3
488.14951	1.6
498.12653	1.1
516.14856	3.9
531.17065	2.3
546.18896	1.7
590.18317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11538	0.6
59.10682	0.6
62.36255	0.6
67.39104	0.8
102.80575	0.8
109.08418	0.6
159.04492	1.5
173.06064	1.5
174.05594	1.1
180.04259	3.8
185.09705	1.7
261.11905	0.6
275.80795	0.7
278.08179	1.0
304.06226	1.3
305.07083	1.3
308.09308	3.6
332.09311	3.9
334.10840	3.4
356.09256	1.1
360.09039	1.4
367.97296	0.8
370.10876	1.4
384.08585	1.2
384.12686	1.0
386.14191	1.0
398.10434	5.1
399.10904	1.5
412.11902	3.8
438.09836	1.0
440.11404	7.1
502.16537	5.0
504.18460	0.9
505.66669	0.9
516.14362	7.7
518.19727	1.2
530.16187	12.3
531.16724	3.6
546.19214	6.5
590.18292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05955	1.8
55.31861	2.0
59.01381	35.1
61.98848	4.2
63.55756	1.9
69.84072	2.1
71.15263	2.3
73.25966	1.8
85.60179	2.1
90.66150	2.0
100.08657	2.1
108.50749	2.1
120.85288	2.4
123.04559	3.7
125.77680	2.0
137.02324	2.0
144.83961	1.9
151.04021	14.7
170.73460	2.1
280.06360	3.0
295.08389	3.5
297.10037	3.1
324.08646	3.4
325.09641	23.1
340.11893	65.1
368.11401	100.0
403.86563	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61477	0.8
56.13753	0.9
56.42432	1.2
59.01369	1.5
63.57442	1.1
71.01376	2.4
86.74398	1.3
88.04021	6.3
96.00906	1.5
98.02462	1.8
98.50751	1.2
121.02888	3.0
127.05126	2.3
128.07167	21.1
133.02956	4.9
133.81674	1.2
134.03731	21.6
135.04518	2.7
145.06166	6.8
146.08211	10.4
149.02348	1.4
149.06126	8.6
150.03214	19.6
151.03979	5.1
160.01651	2.0
161.02444	9.1
165.05554	38.5
175.04022	9.7
178.02698	9.3
179.03471	2.0
180.04285	1.7
181.05052	1.6
193.05080	31.5
194.01854	1.4
195.06599	4.2
200.09283	11.1
218.10217	4.8
231.11340	1.3
282.08917	9.4
284.14948	1.4
304.59366	1.3
326.07269	1.8
341.10248	7.0
392.13348	1.7
393.14441	1.9
394.15161	10.2
428.16644	2.0
485.20267	5.5
552.09052	1.1
572.23218	7.6
590.22571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31023	1.1
59.01368	2.0
61.86550	1.1
62.08840	1.2
62.97414	1.1
71.01366	1.6
72.00912	1.7
75.00872	1.3
83.01408	1.8
85.02940	2.0
101.02441	13.8
113.02480	1.6
115.03935	1.8
147.04544	15.3
149.04715	1.5
149.06096	1.4
163.04028	2.7
164.07181	100.0
165.04079	3.0
191.05611	29.2
213.90178	1.3
236.09250	15.5
236.93275	1.3
273.51321	1.6
326.12460	13.4
425.16595	2.6
590.18231	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	17.2
62.41348	3.5
70.99240	3.6
72.98170	3.5
86.02472	20.4
88.98832	6.6
96.00930	35.9
96.64351	4.9
98.02472	16.6
109.04085	4.9
114.01962	6.5
125.03595	18.9
127.05147	29.0
128.03529	15.5
134.79074	4.0
140.03751	4.1
145.06226	72.5
165.10297	5.6
166.08707	17.5
187.58893	4.4
193.09831	4.7
209.09386	8.3
213.10526	5.9
231.11346	6.6
259.14685	5.7
292.13089	7.1
386.62146	4.9
445.80865	5.6
485.20541	75.4
572.23730	51.4
590.24664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40423	0.4
59.01392	0.4
61.98832	100.0
66.61993	0.4
87.00885	0.4
105.93452	0.5
110.55534	0.4
217.19514	0.6
233.85258	0.5
241.02718	0.4
282.25150	1.5
353.26517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26755	0.3
52.51054	0.4
56.37119	0.3
59.01375	0.5
61.98833	100.0
65.78604	0.4
72.45002	0.4
78.60955	0.5
79.37188	0.4
99.92627	0.5
116.92867	5.2
150.56609	0.4
195.30836	0.4
281.24878	0.8
282.25208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58062	0.3
52.79036	0.3
53.62988	0.3
54.08756	0.2
75.52584	0.3
79.61317	0.3
79.95734	2.5
80.96515	4.2
90.95609	0.4
92.23097	0.4
94.98082	0.3
98.46310	0.3
130.32770	0.3
185.60985	0.3
197.11919	0.5
211.20705	0.6
257.21204	1.8
277.21771	0.4
279.23349	1.4
280.23654	0.7
309.20667	1.7
310.21088	0.7
312.22757	0.5
317.21552	1.4
332.22607	0.5
333.21066	8.6
350.23767	11.6
378.23230	3.2
420.47070	0.3
590.44708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88190	0.3
66.15894	0.3
74.40443	0.3
79.95748	2.5
80.96520	4.1
94.98038	0.5
112.28926	0.4
130.44963	0.4
185.04683	0.4
211.20647	1.4
257.21246	2.0
310.21124	0.4
317.21527	1.9
332.22827	1.8
333.21115	7.8
350.23727	12.9
378.23279	2.6
399.54297	0.4
590.44702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94930	0.3
59.23539	0.4
63.68465	0.3
66.07135	0.3
79.95715	2.9
80.96524	3.7
86.66261	0.4
94.98096	0.5
125.14079	0.4
211.20743	0.6
221.92157	0.4
257.21237	1.8
279.23471	0.5
280.23477	0.5
309.20618	0.5
310.21127	0.8
317.21616	2.2
332.22546	0.8
332.30728	0.4
333.21082	8.7
350.23734	11.8
378.23312	2.0
590.44666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07915	0.7
55.85576	0.6
59.01375	1.6
61.98837	0.7
74.50056	0.8
80.84425	0.8
109.06701	0.7
119.62760	0.7
127.34696	0.7
160.33073	1.0
174.63918	0.8
205.19618	1.2
249.18622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
70.21696	0.3
71.01387	0.6
72.99303	37.8
79.21651	0.3
88.39163	0.3
89.02020	0.3
89.02451	5.5
89.74052	0.3
101.02401	0.6
113.02451	0.4
117.01917	3.6
129.05624	0.4
145.01427	21.4
175.04007	1.5
176.53418	0.4
190.02753	1.6
193.05026	0.8
200.31375	0.4
205.05040	1.8
207.29169	0.4
223.06206	0.5
268.03796	35.2
283.06140	100.0
503.54501	0.4
534.36633	0.4
591.13403	6.7
591.22168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37873	1.1
53.90515	1.2
59.38008	1.1
60.31350	1.0
64.71269	1.2
72.99305	22.0
83.05016	20.3
93.99397	1.2
104.87235	1.3
111.04520	20.6
112.17886	1.1
115.03999	15.8
116.07158	6.2
127.04008	73.0
129.05544	6.6
130.08736	3.2
131.08980	2.4
132.86183	1.2
137.02405	2.7
155.03514	72.5
171.02977	5.5
172.09796	5.3
173.10199	1.5
173.58699	1.6
189.04068	1.9
191.05598	3.1
199.02493	43.0
217.03548	100.0
322.69794	1.5
389.57162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37873	1.1
53.90515	1.2
59.38008	1.1
60.31350	1.0
64.71269	1.2
72.99305	22.0
83.05016	20.3
93.99397	1.2
104.87235	1.3
111.04520	20.6
112.17886	1.1
115.03999	15.8
116.07158	6.2
127.04008	73.0
129.05544	6.6
130.08736	3.2
131.08980	2.4
132.86183	1.2
137.02405	2.7
155.03514	72.5
171.02977	5.5
172.09796	5.3
173.10199	1.5
173.58699	1.6
189.04068	1.9
191.05598	3.1
199.02493	43.0
217.03548	100.0
322.69794	1.5
389.57162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13113	0.5
60.58841	0.5
62.60998	0.5
69.91658	0.6
71.01390	0.8
75.93256	0.5
85.02963	0.8
91.30167	0.6
98.48611	0.6
101.02431	0.9
108.02173	24.2
109.02940	14.0
113.02419	0.8
121.02958	0.6
122.29279	0.5
151.04048	0.6
152.01155	51.5
153.01938	25.6
163.04027	1.1
165.01915	2.2
225.03947	0.6
229.04921	0.5
315.07269	100.0
458.71680	0.7
558.55682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79818	0.3
58.01460	0.3
59.01374	0.5
59.69781	0.3
68.34579	0.3
77.54961	0.3
80.13860	0.3
122.78291	0.4
134.03729	3.3
134.94028	0.4
149.02435	1.4
164.04810	3.1
175.00412	1.5
179.07201	0.8
190.01021	0.7
190.02736	20.6
191.03558	0.5
193.05086	4.8
205.05069	20.3
208.03719	0.6
221.08234	1.7
223.06094	5.1
247.06104	1.4
265.07114	0.8
268.03793	41.2
283.06152	100.0
367.10345	5.0
402.18112	0.4
446.71356	0.4
555.21008	2.4
591.17175	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1728
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
57.65239	0.2
59.05610	0.2
60.52596	0.2
63.62903	0.2
72.78971	0.2
87.94849	0.2
93.73716	0.2
93.74754	0.2
97.65073	0.2
114.87695	0.2
163.32762	0.2
177.67719	0.3
230.66898	0.2
244.27684	0.3
251.19168	0.2
268.03787	41.6
283.06137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1729
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
52.87983	0.8
59.01387	1.1
61.98826	2.4
71.01392	1.0
84.95232	1.2
101.02460	1.4
101.50612	1.0
103.21317	0.8
113.02473	1.6
134.03755	7.8
135.04439	1.2
146.03732	4.3
147.04514	5.7
149.02431	30.8
152.01138	1.5
160.01620	2.2
161.06108	1.1
163.04028	4.3
164.04791	66.2
175.00389	2.3
175.04013	6.0
176.56421	1.1
179.07152	13.9
190.02718	47.1
193.01492	4.5
193.05170	4.2
205.05067	76.1
207.03012	4.2
208.03783	30.5
223.06122	100.0
232.03783	1.2
247.06111	2.3
337.05630	6.0
352.08160	9.4
355.52722	1.0
367.10373	49.4
385.11768	1.1
520.47614	1.1
555.22626	1.8
591.17603	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60032	1.0
54.49715	0.9
59.01375	4.3
60.03570	1.0
62.20932	1.0
62.73272	0.9
75.40954	0.9
78.06800	1.0
81.03463	5.9
83.05035	4.8
85.08924	1.0
92.23098	1.8
93.03468	4.7
96.96005	4.4
100.74843	1.1
109.02945	2.1
111.03764	2.4
111.04508	52.3
111.05274	1.8
127.04005	100.0
137.02486	8.3
150.03235	2.5
155.03502	66.2
191.05536	1.6
195.06702	2.1
197.54054	1.1
199.02493	88.5
327.08987	1.2
343.11981	2.0
369.13327	1.6
391.14047	5.5
591.17456	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60032	1.0
54.49715	0.9
59.01375	4.3
60.03570	1.0
62.20932	1.0
62.73272	0.9
75.40954	0.9
78.06800	1.0
81.03463	5.9
83.05035	4.8
85.08924	1.0
92.23098	1.8
93.03468	4.7
96.96005	4.4
100.74843	1.1
109.02945	2.1
111.03764	2.4
111.04508	52.3
111.05274	1.8
127.04005	100.0
137.02486	8.3
150.03235	2.5
155.03502	66.2
191.05536	1.6
195.06702	2.1
197.54054	1.1
199.02493	88.5
327.08987	1.2
343.11981	2.0
369.13327	1.6
391.14047	5.5
591.17456	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86633	0.7
59.01379	9.5
61.98793	0.9
70.92685	1.0
71.01362	6.2
73.02939	0.9
89.02437	10.0
99.00862	4.7
101.02441	2.2
113.02415	4.1
116.33805	0.9
117.03432	4.4
119.03476	1.9
130.77335	0.9
133.05037	0.9
134.03738	73.8
149.06076	13.7
160.01595	2.2
171.95303	0.8
175.04015	13.1
178.02663	1.3
190.02704	2.0
191.05678	0.9
193.05072	100.0
205.05028	3.9
247.22305	1.2
252.93718	0.9
314.22894	1.0
494.17438	0.9
507.12198	1.0
531.18976	4.3
555.20856	67.7
591.17700	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50188	3.1
59.01385	59.5
59.90911	3.4
59.98883	3.6
63.13391	3.4
71.01379	54.5
72.99316	15.0
76.32517	3.4
85.02952	6.4
89.02437	55.8
93.40293	4.1
101.02422	21.2
108.20471	3.6
111.00850	29.8
113.02444	23.0
114.39464	3.7
115.00343	4.7
115.04005	15.3
119.03482	18.8
133.01453	8.4
139.00349	4.2
153.01942	20.4
154.02702	26.9
168.04294	13.9
169.01425	15.6
169.05080	17.0
179.03487	7.9
197.04602	32.7
197.92667	4.3
198.55348	4.0
215.64989	3.8
220.37494	4.3
244.72318	4.6
259.08212	18.6
277.09348	24.8
293.20325	4.1
294.86719	4.1
308.73346	3.8
331.10352	24.0
347.20532	4.4
393.14032	8.4
429.10498	15.0
591.19482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33693	0.5
52.18930	0.6
61.37597	0.6
87.00883	3.6
96.24765	0.7
128.05194	0.7
135.15369	0.7
136.01660	20.8
137.02423	1.8
142.62061	0.9
151.04007	68.3
152.04778	1.6
160.01619	0.8
166.02705	17.9
179.03462	0.8
181.05089	41.2
191.07201	0.7
231.80989	0.9
268.59564	0.8
269.66415	0.9
316.47894	0.7
326.69876	0.8
357.09851	23.4
368.11441	1.3
369.11710	1.8
372.12186	14.7
387.14539	100.0
396.23419	0.8
537.23114	0.9
591.29419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61157	0.5
59.01387	1.0
59.09575	0.5
69.34380	0.6
71.01373	1.2
80.60794	0.5
84.26949	0.6
87.52134	0.5
88.72846	0.5
89.02439	0.6
101.02442	0.7
117.03444	2.9
132.02138	1.1
133.02957	1.0
134.03741	56.1
141.93672	0.7
144.91396	0.6
145.02989	0.6
146.02576	1.4
146.03740	38.8
149.06085	6.5
160.01657	23.3
161.02350	0.9
161.04706	1.1
161.06087	24.4
164.04800	33.7
165.05574	0.7
175.04005	36.4
177.05618	0.6
179.07147	47.2
193.05066	37.2
193.06815	1.3
291.76767	0.7
396.10489	1.3
411.13068	5.6
553.20630	0.9
591.20917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.0
59.01385	100.0
71.01376	48.6
85.02951	10.0
89.02443	79.1
95.01399	2.9
101.02432	26.0
113.02452	24.9
119.03490	16.5
161.04555	4.8
161.43138	2.9
179.05582	21.0
205.05096	5.8
295.08817	2.8
321.07257	2.5
391.23279	18.8
429.18515	3.2
493.27094	3.3
531.18823	50.9
591.26117	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.0
59.01385	100.0
71.01376	48.6
85.02951	10.0
89.02443	79.1
95.01399	2.9
101.02432	26.0
113.02452	24.9
119.03490	16.5
161.04555	4.8
161.43138	2.9
179.05582	21.0
205.05096	5.8
295.08817	2.8
321.07257	2.5
391.23279	18.8
429.18515	3.2
493.27094	3.3
531.18823	50.9
591.26117	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
66.20333	0.8
69.22797	0.6
71.01364	1.3
71.73224	0.6
80.20808	0.7
89.02424	4.0
99.00874	4.8
101.02398	0.9
108.44308	0.7
113.02404	3.5
117.03447	6.4
119.03397	0.9
134.03738	96.1
149.06064	12.5
160.01654	7.8
175.03993	14.1
178.02690	1.3
191.05672	0.9
193.05064	100.0
203.33582	0.7
207.67130	0.7
283.06073	1.5
397.15137	1.4
412.52264	0.8
513.71643	0.7
591.20850	29.6
618.03619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64043	0.6
59.01373	4.4
64.12363	0.6
66.70370	0.6
67.16212	0.6
71.01388	1.7
73.02965	0.9
89.02422	3.3
99.00873	5.6
99.63298	0.7
101.02451	1.3
109.74635	0.7
113.02433	3.0
117.03445	5.7
134.03735	94.5
149.06073	13.1
160.01625	6.7
175.04001	12.7
178.02739	1.7
193.05064	100.0
205.79196	0.8
263.54791	1.0
268.03815	10.6
283.06168	22.6
319.69073	0.9
338.76001	0.8
397.15186	1.2
452.46973	0.9
586.13739	0.8
591.20874	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19542	0.7
59.01371	3.6
62.35902	0.9
63.79717	0.8
71.01362	3.3
89.02421	1.5
92.23116	1.1
97.12621	0.9
113.02398	1.1
117.03438	5.1
132.02194	1.3
133.02907	3.4
134.03738	62.5
146.03731	41.2
146.04712	0.9
149.06087	5.5
160.01648	26.4
161.04697	2.5
161.06059	25.8
164.04787	35.6
175.04007	44.2
179.05548	1.7
179.07137	52.4
188.36623	0.8
193.05074	44.0
220.25235	1.0
256.97949	0.9
277.86801	0.9
396.10431	1.5
411.12988	7.9
526.03699	1.0
591.20868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50224	0.3
51.52942	0.2
57.03436	0.2
59.01373	0.3
79.01888	0.3
92.06203	0.3
106.04445	0.3
111.04489	1.4
121.22791	0.3
135.04530	0.7
149.06137	0.5
164.04799	0.4
173.06042	0.4
179.03531	3.1
183.08115	0.4
192.04210	1.3
197.09731	0.3
207.06635	7.1
208.62361	0.3
239.10771	6.8
241.08762	1.9
248.21690	0.3
255.10213	0.7
279.10318	1.7
282.08786	0.4
283.09775	100.0
297.11459	0.7
325.10938	2.2
363.75558	0.3
383.13589	0.6
453.05542	0.3
557.72992	0.4
591.20874	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64043	0.6
59.01373	4.4
64.12363	0.6
66.70370	0.6
67.16212	0.6
71.01388	1.7
73.02965	0.9
89.02422	3.3
99.00873	5.6
99.63298	0.7
101.02451	1.3
109.74635	0.7
113.02433	3.0
117.03445	5.7
134.03735	94.5
149.06073	13.1
160.01625	6.7
175.04001	12.7
178.02739	1.7
193.05064	100.0
205.79196	0.8
263.54791	1.0
268.03815	10.6
283.06168	22.6
319.69073	0.9
338.76001	0.8
397.15186	1.2
452.46973	0.9
586.13739	0.8
591.20874	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33693	0.5
52.18930	0.6
61.37597	0.6
87.00883	3.6
96.24765	0.7
128.05194	0.7
135.15369	0.7
136.01660	20.8
137.02423	1.8
142.62061	0.9
151.04007	68.3
152.04778	1.6
160.01619	0.8
166.02705	17.9
179.03462	0.8
181.05089	41.2
191.07201	0.7
231.80989	0.9
268.59564	0.8
269.66415	0.9
316.47894	0.7
326.69876	0.8
357.09851	23.4
368.11441	1.3
369.11710	1.8
372.12186	14.7
387.14539	100.0
396.23419	0.8
537.23114	0.9
591.29419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.1
61.98818	1.1
65.87053	0.5
71.01372	3.2
79.82585	0.5
82.62328	0.5
85.02949	0.6
90.19711	0.6
92.23223	0.7
101.02433	1.0
113.02432	1.3
116.80717	0.6
123.08286	0.6
135.04510	0.6
149.02435	5.5
152.01170	0.6
153.09206	16.2
154.67250	0.6
163.04036	0.7
164.04800	19.8
165.09174	9.3
175.00349	3.4
179.07143	4.1
187.11285	1.2
190.02728	55.1
190.10150	0.8
191.03561	1.0
205.05067	100.0
205.12347	18.9
208.03711	1.2
209.04614	2.4
221.08272	0.8
223.06111	24.0
225.83598	0.6
367.10419	22.7
521.20416	2.3
573.23596	15.7
591.24573	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02634	1.2
59.01380	15.6
66.17831	1.3
68.45672	1.5
71.01364	8.7
72.99287	1.8
77.14346	1.4
89.02440	8.5
101.02438	6.3
103.45010	1.4
110.55754	1.5
113.02436	8.2
134.34096	1.5
149.02443	12.4
164.04794	40.7
175.00383	2.7
179.07207	12.6
190.02724	50.9
191.03481	1.5
205.05077	100.0
206.05869	22.9
207.03076	2.0
208.03802	12.2
221.08203	42.8
223.06120	81.7
237.07700	6.5
247.06046	7.2
250.04832	6.9
255.28204	1.8
265.07196	82.2
283.06067	5.6
295.08228	40.7
296.42065	1.6
305.70572	1.5
310.97183	1.5
325.09369	56.6
326.07983	1.7
340.76053	1.4
378.59540	1.4
385.11472	56.3
409.67908	1.5
494.90671	1.7
591.24500	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49206	0.4
51.70289	0.5
56.53487	0.5
57.23840	0.5
59.01373	1.4
71.01391	4.4
73.02928	0.7
78.98592	5.4
79.95735	7.3
80.96513	45.5
81.03521	0.6
85.02932	2.9
87.00858	2.5
94.98080	13.7
97.02917	1.1
99.00896	0.6
101.02441	3.3
106.98066	2.7
113.02393	0.6
121.57669	0.7
122.97580	3.2
125.02411	3.4
134.97592	5.3
136.99026	0.9
137.02422	0.8
139.95505	0.5
148.99132	7.7
150.02980	0.6
152.98622	8.2
157.13872	0.6
164.98611	15.2
167.00230	0.8
206.99699	3.9
225.00761	24.4
239.16490	0.6
283.05963	2.8
291.19705	1.4
299.04391	5.7
322.85730	0.6
591.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2487
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
50.49206	0.4
51.70289	0.5
56.53487	0.5
57.23840	0.5
59.01373	1.4
71.01391	4.4
73.02928	0.7
78.98592	5.4
79.95735	7.3
80.96513	45.5
81.03521	0.6
85.02932	2.9
87.00858	2.5
94.98080	13.7
97.02917	1.1
99.00896	0.6
101.02441	3.3
106.98066	2.7
113.02393	0.6
121.57669	0.7
122.97580	3.2
125.02411	3.4
134.97592	5.3
136.99026	0.9
137.02422	0.8
139.95505	0.5
148.99132	7.7
150.02980	0.6
152.98622	8.2
157.13872	0.6
164.98611	15.2
167.00230	0.8
206.99699	3.9
225.00761	24.4
239.16490	0.6
283.05963	2.8
291.19705	1.4
299.04391	5.7
322.85730	0.6
591.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78907	2.2
65.03983	6.2
71.05010	5.5
81.64548	2.8
97.06593	15.3
121.06584	12.4
125.09725	14.7
166.06921	2.9
185.11816	19.6
209.11792	9.6
211.13388	6.1
225.00706	3.4
235.13419	19.2
266.86285	3.0
268.03787	55.5
283.06155	100.0
307.19220	50.0
398.92151	3.1
479.06854	3.1
591.24811	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68293	0.9
60.21186	0.8
71.64011	0.8
76.53416	0.7
78.95876	7.3
88.64113	1.0
89.16840	0.9
96.96945	1.1
100.86546	0.9
105.12960	0.8
107.50340	0.9
152.99550	8.9
162.18500	0.9
199.13419	9.3
219.46712	0.8
239.55901	1.0
253.03798	0.9
255.23288	18.7
265.14728	1.0
269.18646	1.1
293.67737	1.1
310.63046	0.9
318.15543	0.9
333.57501	0.9
391.22592	4.0
443.22571	1.2
459.21906	3.5
471.25638	4.5
472.23260	1.4
482.21558	3.7
485.19946	4.3
486.20993	0.9
487.25302	6.0
497.23364	5.4
499.21472	6.4
500.22253	19.2
514.23999	1.1
515.24567	100.0
559.23718	15.8
591.25928	4.2
591.36938	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74862	0.3
60.59309	0.4
63.12232	0.4
89.99526	0.5
92.73041	0.5
114.18363	0.4
264.33624	0.5
302.89359	0.6
310.61432	0.5
319.76682	0.5
324.47006	0.5
368.33041	0.6
396.17493	0.8
443.22482	2.9
445.20181	1.9
454.21838	0.5
456.23044	1.1
458.21365	0.6
459.21695	3.6
471.26559	4.4
472.23465	3.4
473.23416	1.7
482.21423	2.4
485.19937	2.6
487.25531	6.9
497.23431	5.5
499.21375	5.3
500.22263	20.8
500.29343	1.0
513.22906	0.5
514.23865	2.2
515.24615	100.0
519.24152	0.7
559.23639	14.2
591.26526	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	3.5
59.01103	4.3
59.01384	100.0
60.13841	2.6
60.95272	2.4
63.05389	2.2
66.36910	2.3
71.01375	47.4
72.99336	3.0
73.02943	17.7
76.17410	2.6
85.02944	11.8
87.00869	11.2
89.02437	94.6
101.02430	74.4
103.04032	10.2
105.01931	64.4
113.02425	32.7
119.03501	20.3
131.03497	18.1
138.66225	2.5
143.03476	15.8
149.66644	3.2
161.04530	18.1
163.06139	27.1
179.05617	64.5
187.11221	3.2
193.05118	3.5
205.07187	4.3
205.12170	3.1
221.06673	24.5
265.09363	3.9
267.12155	3.1
298.98068	3.0
341.10806	10.0
429.17606	4.5
508.19745	2.8
531.24097	3.5
531.27753	3.1
591.22528	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24482	0.3
59.01383	1.7
71.01383	0.8
73.02943	0.5
89.02441	1.6
90.39544	0.3
99.08153	19.3
101.02441	1.5
113.02450	0.5
116.14748	0.4
145.08710	100.0
169.36543	0.4
433.24414	0.5
531.27991	0.8
591.29828	0.6
612.13208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68611	0.3
55.24146	0.4
57.03447	0.5
58.66776	0.3
59.01384	14.0
62.82593	0.4
63.18311	0.3
65.10254	0.5
71.01389	3.7
73.02935	1.0
79.77248	0.4
81.40858	0.4
84.79453	0.4
85.02943	1.6
87.04539	0.7
88.98785	0.6
89.02436	1.9
96.95985	0.4
101.02425	3.5
105.01935	1.0
113.02452	3.0
115.04105	0.5
119.03537	0.5
131.03505	9.0
131.04524	0.8
146.56204	0.4
150.41917	0.5
161.04553	0.6
177.17686	0.4
211.64987	0.4
369.22845	100.0
469.28052	0.5
531.27985	6.6
581.97876	0.5
591.29858	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14666	1.1
57.50463	0.9
59.01380	8.0
59.54025	0.8
61.98827	2.2
71.01376	1.5
72.83205	1.0
77.71846	1.0
85.02952	1.1
89.02440	2.3
101.02437	5.4
111.08163	1.0
113.02457	1.1
145.33711	1.0
161.04503	1.4
171.10254	1.2
183.10207	6.0
183.13899	57.3
220.29420	1.0
253.09309	24.2
277.21793	8.5
295.22797	100.0
391.25513	1.0
531.31793	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81122	0.8
78.98593	1.9
79.54813	0.7
79.95715	2.7
80.96515	5.0
81.91932	0.7
91.02528	0.7
94.65062	0.7
94.98096	0.7
96.96002	3.3
99.08176	0.7
104.73203	0.7
113.09704	1.9
129.09213	4.7
131.68173	0.8
137.02490	1.6
139.11295	1.6
167.10765	0.9
169.12453	0.9
171.10268	11.0
181.12370	3.8
183.13940	1.5
185.11870	1.0
197.11855	6.0
199.13348	3.6
201.11362	1.3
211.13448	10.9
211.20679	45.7
257.21246	90.0
275.20190	1.0
279.23331	54.3
281.24796	1.6
293.21280	9.2
306.20377	0.8
309.17160	4.6
309.20364	1.0
311.22336	62.7
329.23349	3.3
333.21069	17.1
334.21548	1.1
436.16684	0.9
591.44897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10839	1.0
60.20266	1.1
65.14207	1.2
68.21696	1.0
79.19537	1.4
87.07489	1.3
91.59297	1.1
99.41926	1.2
140.55811	1.2
171.10271	29.7
277.21741	49.6
295.22824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49881	2.2
67.77229	2.1
75.00871	5.2
89.45031	2.0
115.85097	2.1
171.10301	4.2
185.11867	9.8
240.59546	2.3
293.21240	100.0
297.24374	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79686	1.2
52.86571	1.4
63.30664	1.4
63.43900	1.7
78.53901	1.7
78.95916	3.6
129.30557	1.7
141.12854	9.0
152.99596	1.9
155.14517	2.1
171.28773	1.5
249.22238	13.2
295.19470	3.5
295.22818	100.0
327.85104	1.9
400.04700	1.8
424.92825	2.0
502.99100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91531	0.6
54.92033	0.5
55.14019	0.4
59.01382	0.6
76.34862	0.5
92.23048	0.6
97.00620	0.5
110.51006	0.5
113.99553	0.5
117.40338	0.5
125.30164	0.5
139.07640	0.7
139.11269	0.6
155.14394	6.0
171.10201	0.9
251.23865	5.1
277.21796	2.8
295.22812	100.0
539.27905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15958	1.6
54.89310	1.5
57.03437	1.4
57.77999	1.5
59.01377	1.9
60.73953	1.5
62.63425	1.5
63.38357	1.5
74.58124	1.6
77.78992	1.6
114.70432	1.8
127.11435	1.6
161.02327	1.6
171.10280	28.9
244.38417	1.9
248.95567	1.9
277.21735	60.8
294.21698	1.9
295.22818	100.0
297.24307	2.1
471.04840	2.0
591.36871	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07237	3.3
57.45450	3.8
70.18089	3.5
70.54487	3.5
70.87399	3.4
128.63214	4.5
143.49484	4.0
167.58548	4.8
171.10268	17.5
174.27228	4.1
181.12173	4.5
197.11630	5.2
199.13493	6.3
211.13460	20.4
211.47476	3.9
273.48154	4.4
279.23325	84.6
281.24908	36.8
293.21381	9.1
309.20761	36.7
311.22311	74.1
329.76724	4.7
426.38763	4.8
432.69119	5.0
591.46399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78342	1.7
61.38166	1.6
68.75137	1.6
83.14729	1.8
101.79203	1.9
129.09233	2.2
171.10254	13.6
183.13835	7.8
195.13893	2.6
197.11794	2.5
211.13455	14.7
272.89078	2.3
273.15060	2.3
279.23260	31.0
281.24872	91.6
291.16385	2.9
291.19699	13.0
293.21310	4.8
309.17087	28.8
309.20758	27.7
311.22369	31.4
316.68936	2.3
316.91260	2.0
515.24561	2.4
591.36975	3.4
591.46362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87952	0.7
56.91372	0.8
59.01369	0.8
66.26893	0.7
79.73476	0.8
84.64622	0.8
85.37452	0.9
87.39439	0.8
88.30375	0.7
99.08180	1.1
102.17727	0.7
112.40694	0.8
113.09730	1.4
121.10210	1.0
129.09167	1.1
139.11320	8.8
171.10297	19.7
173.79393	0.8
183.13998	1.5
185.11836	1.1
193.12329	5.2
197.11809	1.1
199.13431	1.5
211.13414	15.1
229.14485	1.4
279.23312	100.0
280.23755	1.1
291.09131	1.0
293.21240	25.5
311.22324	70.0
329.23303	6.1
358.81366	0.9
591.46344	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68296	1.5
55.88774	1.7
60.51927	1.5
72.99298	29.2
91.47066	1.8
91.97923	1.8
94.08322	1.9
97.58552	1.9
111.00874	17.9
120.01232	46.6
123.04498	3.3
135.04494	4.4
149.90753	1.7
179.03467	32.1
197.04558	100.0
234.23842	2.1
359.09879	46.1
471.11215	7.7
552.61816	1.9
592.13544	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.08568	1.5
61.11201	1.4
62.17756	1.4
62.93434	1.4
63.83620	1.6
70.02969	12.2
72.00909	10.2
73.30201	1.5
75.43123	1.6
88.03971	2.0
90.01445	1.6
96.00911	16.9
97.58928	1.5
113.03560	36.2
114.01964	50.0
123.05647	9.5
131.04616	100.0
132.03015	13.0
141.06688	2.2
143.04639	7.2
149.03543	13.3
157.06187	6.6
167.04590	11.6
170.25372	1.9
185.05731	6.5
186.77272	1.8
193.02502	3.0
211.03662	34.0
218.70238	2.4
229.04678	56.3
247.05699	92.6
353.79413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39043	0.4
56.39413	0.5
58.53027	0.5
60.80505	0.5
61.98817	1.5
67.38500	0.6
69.35998	0.6
79.94189	0.7
98.10248	0.6
100.09209	0.5
105.37539	0.6
122.37000	0.7
173.05991	0.9
180.04305	4.1
185.09686	1.4
199.57559	0.8
281.08252	1.0
285.11212	0.9
292.06165	1.4
293.06909	4.7
294.07864	1.5
306.07809	0.9
307.08600	3.4
308.09265	1.3
319.08502	1.0
320.09283	3.4
321.09988	3.0
334.10861	1.1
344.09372	0.9
345.10028	1.2
347.07962	3.5
353.09009	1.2
358.10675	1.0
359.11676	3.2
360.12567	1.1
362.10339	2.8
372.12405	4.7
373.13190	0.9
386.10257	1.1
387.15088	1.1
400.12006	4.5
401.12683	1.5
410.93671	0.7
414.13644	1.4
427.10614	1.0
442.12839	5.8
476.14478	0.9
477.15674	2.5
490.16702	2.8
491.17450	2.6
492.18350	3.6
504.18463	0.9
505.19235	3.7
506.19934	1.0
518.15881	6.3
520.21313	1.0
525.86572	0.7
532.17670	3.7
533.18658	4.3
548.20740	5.7
592.19830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96173	2.2
61.98838	5.3
92.23067	3.3
119.84314	2.9
188.03517	7.0
190.05115	50.0
213.05600	29.7
227.07222	4.7
228.04225	2.9
241.08881	3.4
274.52426	3.3
325.14548	4.0
342.14749	38.2
343.15485	3.7
348.46567	3.1
357.17111	50.5
543.48969	3.3
548.22888	100.0
592.21796	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42934	0.6
50.46483	0.5
56.13228	0.6
59.08721	0.6
78.95456	1.3
78.95903	28.0
82.55573	0.6
96.96964	3.1
129.81781	0.7
134.54425	0.8
135.62549	0.8
140.01105	1.3
150.98116	0.9
152.99588	100.0
171.00626	1.2
196.03714	5.8
196.05399	0.7
209.57777	0.7
214.04903	0.9
246.94368	0.7
279.23325	56.5
305.95840	0.7
312.05139	0.7
433.23880	1.2
466.05670	0.8
476.27896	11.8
592.29028	76.9
599.91797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76961	0.8
58.35604	0.9
61.98835	100.0
83.85344	0.9
84.21334	0.8
87.00848	0.9
88.21183	0.9
90.91601	1.0
101.54829	0.8
105.95619	0.9
113.02453	1.9
134.11971	1.0
134.73279	0.9
175.77174	0.9
231.47435	1.0
284.06372	1.1
385.31964	1.0
563.59644	0.9
592.26556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93422	0.3
61.98832	100.0
63.02823	0.3
92.22523	0.8
136.30669	0.3
172.99440	0.5
214.43398	0.4
448.77393	0.4
563.85382	0.4
618.75018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43717	0.3
53.82775	0.3
56.33500	0.3
61.98835	100.0
68.62512	0.3
69.04424	0.3
72.92664	0.3
102.79979	0.3
190.44107	0.4
592.31927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
61.98853	10.2
69.06264	1.3
70.51713	1.3
78.95905	14.8
81.02334	1.4
89.40668	1.3
99.77313	1.5
102.20941	1.3
102.38693	1.4
104.57449	1.3
109.06581	1.3
113.09719	16.2
131.99620	1.5
152.99503	5.2
159.76616	1.5
167.10745	3.1
168.04309	2.2
177.12852	2.7
179.10825	2.8
195.13881	2.1
218.35692	1.4
224.06935	15.9
242.07983	3.0
249.22189	2.8
264.89575	1.5
293.21271	100.0
307.22803	9.5
401.58414	1.6
450.76144	1.4
497.59903	1.5
518.28918	79.8
532.30426	33.5
592.31549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14952	1.6
53.36302	1.4
54.32565	1.5
59.01371	10.9
60.44297	1.6
73.71597	1.7
78.95890	12.3
81.66263	1.7
81.91384	1.5
83.18398	1.6
84.05465	1.7
106.55549	1.7
116.57187	1.6
147.20158	1.9
147.82852	1.6
149.09712	2.0
152.99536	3.2
168.04315	2.8
185.11871	12.6
201.88116	1.7
224.06931	12.6
260.35773	2.1
293.21246	100.0
307.23010	2.4
407.70096	1.8
518.28906	69.0
532.30493	11.9
611.97601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07281	0.5
57.83887	0.6
59.01382	10.6
78.95908	5.4
87.08033	0.6
113.09761	6.9
125.09700	3.3
141.12845	0.8
149.09705	2.6
152.99570	3.1
167.10855	0.9
168.04280	1.7
174.74500	0.6
185.11845	7.7
195.13986	1.0
224.06996	2.7
236.65167	0.7
242.08052	4.8
249.22366	1.1
275.20166	0.8
293.21255	100.0
300.92816	0.7
307.22852	3.5
329.47601	0.7
388.87305	0.6
398.28549	0.7
415.25278	0.7
443.51523	0.7
461.70596	0.9
518.28918	61.0
532.30701	10.9
592.32300	2.6
601.62469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
79.37888	0.4
81.10421	0.4
121.02941	100.0
122.60091	0.4
165.01903	3.2
181.06560	2.7
191.67490	0.3
197.06161	0.9
207.04472	0.6
207.08174	0.4
209.04544	24.0
225.05540	3.6
313.07257	1.7
334.46655	0.5
402.44684	0.5
417.09924	1.5
489.22516	0.5
549.10504	3.6
593.13098	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1465
Annotation	Stephaflavone A
Peak:m/z	Relative Intensity
58.13317	0.6
75.00842	0.8
78.95914	3.7
83.79517	0.7
117.84485	0.8
127.41830	0.8
183.04507	5.3
195.08208	3.4
223.07692	7.4
224.04829	0.8
225.05534	1.8
227.07219	1.0
239.07170	5.1
253.05104	4.8
254.05806	2.7
267.06702	5.2
269.08322	9.3
282.05347	17.4
283.06140	100.0
295.06140	28.1
297.07706	14.4
565.15179	1.5
593.14618	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17987	1.2
52.25637	1.1
56.93211	1.3
59.01370	2.7
59.30604	1.2
69.03436	8.7
69.58827	1.4
70.69987	1.2
89.02401	2.1
93.03410	5.6
97.02911	1.6
99.00858	3.2
99.49007	1.3
136.56210	1.1
144.57698	1.4
151.00262	2.2
151.03877	1.7
159.62177	1.2
161.42406	1.4
165.05505	2.0
173.04462	5.6
175.07608	5.0
185.00887	3.0
191.03426	1.4
192.71521	1.2
213.05769	1.5
227.03430	7.7
229.05049	3.1
241.04938	1.4
255.03009	24.0
256.03723	3.2
257.04562	6.3
284.00064	2.3
284.03287	91.3
285.04077	92.4
295.49692	1.3
329.13828	7.7
389.40500	1.4
407.13721	2.6
533.25977	4.9
593.15057	100.0
598.46436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25953	0.7
59.01369	3.1
70.76332	0.8
83.95242	0.7
87.00874	0.8
88.36745	0.8
89.02427	3.8
89.93826	0.7
97.41953	0.7
101.02439	1.5
112.05532	0.7
113.02439	1.5
131.03400	0.8
131.10670	0.8
151.00410	1.7
159.10352	1.1
172.33621	0.8
227.03505	8.4
229.05069	1.1
255.03033	22.3
256.03799	3.3
257.04611	3.6
284.03302	100.0
285.01031	1.4
285.04056	31.8
327.04984	0.9
417.20926	0.9
533.26495	1.5
593.15173	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17987	1.2
52.25637	1.1
56.93211	1.3
59.01370	2.7
59.30604	1.2
69.03436	8.7
69.58827	1.4
70.69987	1.2
89.02401	2.1
93.03410	5.6
97.02911	1.6
99.00858	3.2
99.49007	1.3
136.56210	1.1
144.57698	1.4
151.00262	2.2
151.03877	1.7
159.62177	1.2
161.42406	1.4
165.05505	2.0
173.04462	5.6
175.07608	5.0
185.00887	3.0
191.03426	1.4
192.71521	1.2
213.05769	1.5
227.03430	7.7
229.05049	3.1
241.04938	1.4
255.03009	24.0
256.03723	3.2
257.04562	6.3
284.00064	2.3
284.03287	91.3
285.04077	92.4
295.49692	1.3
329.13828	7.7
389.40500	1.4
407.13721	2.6
533.25977	4.9
593.15057	100.0
598.46436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41535	0.7
59.01383	1.0
64.53855	0.8
65.61823	0.8
71.01382	1.0
71.29141	1.1
96.96970	1.1
99.46108	0.9
108.02170	22.5
109.02945	16.3
113.02465	0.9
133.01466	1.3
151.03976	1.7
152.01155	54.2
153.01932	26.5
163.03941	1.4
165.01932	1.2
197.04575	1.1
208.00453	0.9
242.62772	1.0
257.39008	0.9
315.07275	100.0
318.78268	0.9
332.03760	1.0
356.65637	0.9
564.85199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66671	0.9
56.51915	0.8
59.01380	27.0
69.55257	0.8
70.52737	0.8
71.01377	16.9
71.32728	0.9
72.99303	1.2
73.02928	8.8
73.50356	0.9
76.71856	0.9
83.01384	2.0
85.02945	9.3
89.02436	6.1
96.96001	1.3
99.00872	6.2
101.02434	17.4
113.02423	13.8
113.41939	1.1
134.03709	2.3
147.26625	1.2
150.03203	18.7
161.04584	11.5
163.59625	1.1
165.05577	4.5
176.01151	67.7
191.03506	100.0
193.05074	3.7
194.02214	5.3
205.05144	2.3
209.04507	4.1
235.06105	1.4
269.10321	4.7
346.02863	1.1
356.12787	1.5
371.14963	2.3
401.14478	32.0
573.66290	1.1
593.18591	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1889
Annotation	Didymin
Peak:m/z	Relative Intensity
54.17394	0.3
63.71557	0.3
83.01388	0.6
107.01396	0.5
107.81520	0.3
136.01770	0.4
151.00330	4.0
164.01167	6.9
175.00371	1.4
175.07732	0.6
186.79199	0.4
217.08701	1.4
226.06339	1.3
229.93933	0.4
241.08679	3.6
243.06622	3.4
270.05371	4.8
283.06131	0.6
284.06799	0.5
285.07721	100.0
299.09232	1.6
309.07785	3.3
327.08807	2.3
593.18848	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
61.98837	4.1
66.78854	2.0
71.01380	100.0
75.96536	2.2
85.02919	2.3
87.00851	3.1
91.86449	2.1
92.22412	2.6
95.39555	2.2
97.92287	2.0
123.29127	2.4
149.02419	10.1
150.03236	30.2
164.04811	23.9
165.05568	32.5
177.01918	5.6
179.07124	4.7
190.02728	14.5
191.03392	2.8
192.04247	38.5
205.05060	34.7
206.05878	20.8
207.06635	37.1
208.03665	3.5
214.98019	2.5
221.08189	21.8
223.06125	40.3
237.07632	4.4
250.04933	9.4
265.07233	36.9
295.08215	16.1
314.11395	2.8
325.09348	15.7
325.12756	2.8
385.11469	25.7
392.24484	2.5
473.18262	23.9
521.20416	3.9
545.20221	22.6
593.22412	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69160	1.0
59.01360	5.6
62.29031	1.2
70.31605	1.1
71.01363	7.1
72.99280	1.7
73.23731	1.4
76.65417	1.4
80.25974	1.3
85.02933	1.4
85.57587	1.3
87.00363	2.4
87.00872	62.1
89.02427	3.0
97.74017	1.3
101.02399	5.3
103.19621	1.3
113.02421	4.7
130.08038	1.3
152.04739	2.0
153.12985	1.2
166.02705	16.9
167.03430	2.4
179.03462	1.4
181.05087	86.2
205.04836	1.6
206.97012	1.3
247.68826	1.3
263.07803	1.9
329.33582	1.3
387.10928	17.8
402.13211	18.8
417.15674	21.2
490.14313	1.9
505.17245	22.1
593.18549	100.0
593.26624	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69160	1.0
59.01360	5.6
62.29031	1.2
70.31605	1.1
71.01363	7.1
72.99280	1.7
73.23731	1.4
76.65417	1.4
80.25974	1.3
85.02933	1.4
85.57587	1.3
87.00363	2.4
87.00872	62.1
89.02427	3.0
97.74017	1.3
101.02399	5.3
103.19621	1.3
113.02421	4.7
130.08038	1.3
152.04739	2.0
153.12985	1.2
166.02705	16.9
167.03430	2.4
179.03462	1.4
181.05087	86.2
205.04836	1.6
206.97012	1.3
247.68826	1.3
263.07803	1.9
329.33582	1.3
387.10928	17.8
402.13211	18.8
417.15674	21.2
490.14313	1.9
505.17245	22.1
593.18549	100.0
593.26624	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85393	1.0
59.01378	21.1
71.01373	18.9
73.02933	5.9
79.33241	1.0
82.47679	1.1
85.02954	1.8
89.02435	32.4
99.00872	18.8
101.02434	18.8
101.43775	1.1
113.02442	12.2
119.03524	10.3
119.04983	4.5
125.02413	2.0
131.03505	7.8
143.03444	1.3
149.04556	5.0
161.04547	5.5
179.05685	1.6
191.05609	2.4
194.02794	1.8
221.06726	6.0
282.90851	1.1
431.00357	1.2
431.15625	1.8
593.20978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16883	0.2
56.89382	0.2
65.55785	0.3
72.36579	0.3
72.99289	0.3
81.41679	0.3
104.78998	0.3
108.02164	6.3
122.32995	0.3
123.04520	9.1
142.32213	0.3
152.01147	16.6
167.03496	100.0
179.03510	0.3
197.04646	1.1
214.71303	0.3
316.73123	0.3
329.08752	5.7
348.75375	0.3
361.87384	0.3
400.72232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24286	0.4
59.01372	1.2
61.37748	0.5
69.66917	0.4
71.01384	2.4
71.26421	0.5
72.99307	48.0
78.48148	0.4
89.02437	3.3
93.46644	0.6
99.00875	0.8
101.02435	2.6
107.05051	0.6
113.02443	0.6
115.00409	0.5
123.04517	20.1
133.01404	1.0
135.04529	28.5
151.03967	2.2
157.83786	0.5
161.04517	0.9
179.03508	50.3
197.04572	100.0
211.80418	0.6
215.05611	0.7
263.11218	1.0
395.15643	16.2
593.20905	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42955	0.1
50.96233	0.1
59.01361	0.2
68.99157	0.1
71.24902	0.1
72.99305	0.6
80.56388	0.1
108.02167	7.6
115.03999	1.7
123.04514	11.2
152.01147	18.0
167.03494	100.0
179.03516	0.3
197.04572	1.3
212.32887	0.2
216.35516	0.1
233.06633	0.8
236.87976	0.2
329.08829	8.7
548.86658	0.2
608.88934	0.2
617.17401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10482	0.4
58.58646	0.4
61.78114	0.5
62.92302	0.4
64.27344	0.5
72.99305	46.1
112.63442	0.6
123.04517	20.0
133.01451	0.8
135.04526	26.9
150.06493	0.7
151.04022	2.2
179.03510	47.5
179.84717	0.6
197.04568	100.0
212.52936	0.6
234.64613	0.5
292.56250	0.5
331.33594	0.6
593.20038	3.7
603.55023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92788	0.1
59.01375	0.7
71.01385	0.4
85.02940	3.6
85.69477	0.2
87.00880	0.7
93.03467	0.7
101.02422	0.2
111.04490	0.3
116.05042	0.2
119.03457	0.2
127.04009	1.0
173.04573	0.8
191.05632	100.0
213.00940	0.2
269.10309	0.3
343.54074	0.2
467.13431	0.2
533.19055	0.8
559.20416	0.2
564.02979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76313	1.3
54.08661	1.3
54.18503	1.3
57.76508	1.4
59.01382	20.4
71.01370	22.7
73.02934	7.0
84.66689	1.5
85.02936	2.3
89.02438	39.1
99.00871	26.2
101.02441	15.4
102.18936	1.8
103.82955	1.5
113.02425	8.8
119.03467	6.6
125.02429	1.6
131.03500	14.0
133.01416	1.6
149.04564	7.7
149.05994	2.1
191.05618	11.3
216.35423	1.6
397.77051	1.8
461.16815	3.5
593.21021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46405	1.1
59.01377	9.2
61.98828	7.2
66.32046	1.3
67.16858	1.3
70.60947	1.3
71.01379	19.9
71.04997	1.7
73.02934	3.6
75.00910	1.5
77.69363	1.3
83.01456	1.5
84.92870	1.5
85.02934	16.5
89.02439	1.7
96.96016	1.9
97.02939	32.1
101.02438	12.2
102.39773	1.8
113.02441	10.3
115.03993	99.9
135.04526	35.0
136.05281	2.3
143.03503	2.9
145.08699	1.7
148.05298	3.3
159.02965	1.7
161.04546	41.0
164.04811	5.6
180.04247	1.7
190.02727	6.9
190.09999	60.6
191.10785	100.0
205.05042	10.3
205.08665	1.4
245.15417	2.5
280.39789	1.5
289.14185	1.8
353.16171	12.1
451.19843	2.4
593.22278	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67391	0.6
59.01386	100.0
65.40253	0.5
71.01387	13.8
73.02940	2.9
82.42041	0.7
83.01379	1.0
85.02945	4.8
88.01248	0.7
89.02462	1.3
90.23022	0.7
95.01390	1.6
99.00871	1.1
101.00716	0.7
101.02458	7.8
113.02458	5.8
125.75951	0.8
143.03455	0.8
161.03203	1.0
161.04550	22.0
270.09058	0.9
285.11334	1.2
488.77231	0.7
533.20276	1.4
593.22675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38350	1.3
55.25454	1.5
59.01378	4.1
61.98821	2.7
71.01376	100.0
72.51208	1.4
72.99298	1.6
83.01376	1.8
85.02937	3.3
88.84682	1.6
89.59425	1.9
95.01395	2.1
99.54569	2.3
101.02428	2.1
113.02425	3.4
123.82924	1.7
129.99817	2.0
133.02922	2.1
147.04448	2.2
149.02399	14.3
149.06012	1.6
150.03198	26.2
158.74562	1.7
164.04733	14.3
165.05583	33.6
177.01945	3.0
179.07149	2.2
181.08723	2.4
190.02739	4.0
192.04271	10.7
195.06636	8.3
199.76894	1.7
203.90105	2.0
205.05089	10.4
206.05873	4.3
207.06598	16.2
221.08138	8.1
221.14108	2.4
223.06216	12.4
244.11977	1.8
250.04826	2.6
265.07166	19.7
295.08130	2.7
325.09265	10.6
329.14059	3.5
385.11230	7.1
473.18243	25.1
521.20538	9.7
536.22430	2.3
545.20490	28.1
593.22552	56.5
599.72992	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82759	1.4
59.01384	8.9
65.33607	1.3
66.64382	1.5
71.01379	100.0
73.02976	1.4
75.00860	1.6
83.01408	1.7
84.48583	1.4
85.02943	3.4
87.00838	2.0
89.02423	3.0
101.02442	1.8
113.02457	2.8
122.03703	2.3
133.02971	5.8
135.04637	2.1
149.02448	14.5
149.06114	2.4
150.03215	74.9
163.03926	1.6
164.04747	5.1
165.05565	88.0
175.03935	3.4
180.04300	6.8
181.08727	1.7
190.02708	8.2
195.06659	19.0
205.05078	11.5
219.76872	1.5
309.72507	1.6
314.11667	2.2
325.13000	2.7
329.14157	2.3
345.44571	1.8
397.15057	2.2
473.18268	22.5
520.55103	1.6
521.20404	15.2
545.20361	33.0
593.22327	54.9
624.24872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Juncin Z
Peak:m/z	Relative Intensity
59.01384	49.9
59.01684	1.8
61.39986	0.9
61.61319	0.9
61.98832	4.7
69.71711	0.9
71.01383	10.5
72.14375	1.0
72.90363	0.8
72.99306	2.0
73.02922	1.4
75.69991	1.0
76.31861	1.1
78.33157	0.9
83.01414	1.1
85.02944	4.8
89.02434	14.3
96.96005	1.2
101.02442	10.9
106.49394	1.1
113.02425	8.0
119.03500	4.6
121.02951	81.1
127.57086	1.1
135.04485	1.2
159.04501	1.3
164.04799	1.5
165.80891	1.0
172.05243	1.8
187.07657	1.5
190.02740	2.3
197.04465	1.2
205.05173	5.0
223.06154	2.0
231.06479	1.4
367.17725	1.4
371.14819	1.0
381.15570	6.7
411.16663	6.1
503.19485	3.8
533.20374	100.0
593.22614	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2417
Annotation	Salasol B
Peak:m/z	Relative Intensity
61.98832	1.2
78.95908	2.4
80.64957	0.6
81.76926	0.6
83.31519	0.6
99.01905	0.6
107.93872	0.8
115.92062	3.9
122.99323	0.6
132.29599	0.6
153.30615	0.7
159.30699	0.7
229.27406	0.7
234.16176	0.7
255.23300	0.9
447.17896	2.5
449.23889	1.0
457.20514	0.9
458.21106	3.7
461.19742	11.9
473.23761	8.6
474.15872	2.4
474.21503	2.3
475.21661	1.5
480.93079	0.8
484.18811	0.9
487.17657	1.6
489.23648	5.2
499.21585	2.9
501.19247	4.4
502.20193	16.3
506.19879	1.5
516.21753	1.5
517.22498	100.0
520.21246	3.9
561.21417	11.5
593.24274	10.3
593.33698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.0
70.42038	0.7
71.01380	3.1
72.99277	0.6
85.02901	0.9
89.02441	1.7
101.02438	3.2
102.76324	0.7
113.02468	1.1
124.46113	0.7
127.76041	0.7
129.91969	0.7
137.68474	0.8
147.00784	0.8
149.02449	6.6
163.04048	1.3
164.04793	18.3
175.00381	5.7
179.07138	2.9
184.40240	0.8
190.02727	55.2
191.03534	2.9
205.05069	90.4
207.03062	0.9
208.03706	1.3
209.04454	1.5
223.06146	14.6
246.50970	0.8
251.05717	1.0
265.07101	1.5
355.05804	0.7
448.94498	0.9
563.21594	1.7
593.26123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00621	0.7
53.39043	0.7
58.74908	0.8
59.01387	9.9
61.98821	5.2
70.68143	0.9
71.01376	6.1
73.02944	1.1
85.02942	2.0
89.02437	4.0
95.09332	0.8
96.95997	1.0
97.02931	1.8
101.02445	5.0
113.02414	3.3
115.04018	12.5
149.02382	6.6
152.01128	1.0
161.59122	1.0
162.94455	0.8
164.04813	17.5
175.00391	3.3
179.07132	1.7
190.01007	1.8
190.02737	48.3
190.10040	1.1
191.03490	1.9
191.10754	1.9
193.05083	1.0
205.05074	91.9
208.03703	1.0
209.04677	1.2
217.08704	3.6
223.06129	18.1
225.15060	1.3
431.17053	3.8
531.11487	1.0
593.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69545	0.5
57.58962	0.7
58.66393	0.5
59.01380	0.9
61.98827	0.8
71.01373	3.6
74.73326	0.7
78.98582	3.0
79.95267	0.9
79.95731	18.8
79.96175	1.1
80.96056	1.2
80.96516	28.4
85.02960	1.0
87.00858	0.9
88.35007	0.9
93.52663	0.6
94.98080	8.7
97.33917	0.7
101.02428	2.5
106.98109	0.8
122.97589	1.1
125.02416	1.1
125.98026	0.7
134.97549	4.5
136.99117	0.9
148.99196	5.2
152.98633	7.3
153.53899	0.7
164.98596	12.5
201.47641	0.7
206.99725	3.2
225.00732	21.8
241.00246	3.1
293.21396	0.9
299.04480	4.6
322.78091	0.7
371.06613	3.9
385.08154	1.4
399.09604	1.3
413.11197	3.1
427.12677	1.3
455.16083	3.4
483.15515	0.8
495.18967	1.4
593.26447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2647
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
54.14253	0.8
59.01388	0.8
63.68324	0.7
64.22643	0.8
71.01359	4.1
78.98591	5.3
79.03442	0.8
79.95736	7.3
80.96517	36.5
85.02924	0.9
87.00856	1.0
93.50198	0.8
94.98085	10.3
95.49715	0.8
97.02909	1.4
101.02449	1.7
115.25111	0.8
122.97549	1.7
125.02441	1.9
127.03956	0.9
134.97557	4.9
136.99176	1.6
148.99165	6.1
152.98619	8.5
164.97368	1.2
164.98631	15.1
206.99667	3.7
225.00755	25.6
293.08624	1.0
299.04346	3.4
593.26508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2648
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
56.01148	0.6
59.01357	0.8
61.98833	7.0
71.01381	5.0
71.44160	0.5
73.02946	1.0
78.98605	4.8
79.95733	4.1
80.96514	43.2
81.03449	0.8
85.02940	2.6
87.00861	2.2
94.12963	0.5
94.98081	12.5
96.96014	0.6
97.02932	2.4
101.02421	1.4
101.97781	0.5
106.98079	2.5
122.97571	2.5
125.02417	3.5
134.97575	5.0
136.99144	1.0
148.99165	6.7
152.98619	5.8
164.97223	0.7
164.98633	17.8
206.99762	4.2
225.00757	26.3
293.21310	3.0
299.04459	4.9
376.15009	0.8
428.01709	0.6
593.26465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49474	0.7
70.02798	0.7
77.06919	0.8
78.95898	20.4
89.11500	0.8
96.96955	4.8
101.72391	0.9
133.14383	1.0
152.99579	54.8
223.00174	8.5
241.01210	18.5
242.29205	0.9
277.21744	47.2
315.04990	4.3
381.77814	0.9
593.27429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45406	0.4
59.01362	0.5
65.79288	0.4
69.75359	0.4
78.95899	23.8
96.96952	5.1
102.92570	0.5
105.30180	0.5
122.44196	0.5
140.14168	0.5
150.07666	0.5
152.99580	63.0
171.00650	2.4
204.32948	0.5
223.00110	9.1
241.01205	19.7
259.02313	0.7
259.20471	0.5
277.21741	57.8
315.05042	5.2
405.12335	0.6
593.27405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.5
61.98839	14.5
64.16852	1.1
64.50891	1.2
78.05145	1.3
78.95895	28.5
88.77684	1.0
96.96957	12.2
138.55342	1.4
152.99588	67.1
219.42381	1.4
223.00179	6.0
241.01205	33.2
255.15556	1.7
277.21741	65.9
282.36456	1.4
315.04837	6.9
593.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86366	0.8
78.95898	29.4
96.96964	8.2
109.33080	1.0
130.68004	1.0
133.56866	0.9
135.86729	1.0
152.99573	54.6
174.03305	1.0
179.13548	1.1
223.00171	0.9
241.01183	35.3
277.21722	73.1
315.04926	4.6
593.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55442	1.0
69.89349	1.1
78.24716	1.3
78.95903	24.8
84.03124	1.0
96.96941	2.0
122.40666	1.2
141.23520	1.2
152.99583	67.9
223.00160	7.7
241.01260	20.2
259.02435	1.9
277.21756	59.7
315.04962	4.6
593.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11612	0.7
57.03445	0.9
59.01384	6.0
66.87598	0.7
71.01382	1.5
80.67024	0.7
85.02896	0.8
87.00885	0.7
89.02464	1.6
95.95285	0.8
97.06590	4.0
101.02438	4.4
110.77264	0.7
113.02411	1.6
125.09717	72.1
134.03700	0.8
148.12921	0.8
169.08669	3.1
187.09772	100.0
191.58870	0.8
226.06177	0.7
227.42128	0.7
253.09288	1.3
301.19437	0.9
423.18655	9.1
593.28259	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93272	1.5
59.01099	3.7
59.01381	64.4
60.74865	1.8
71.01376	48.4
71.01738	3.3
73.02946	11.3
83.01382	2.9
85.02960	9.2
87.00866	7.6
89.02438	82.2
93.39855	2.0
94.95458	1.8
95.01386	2.7
101.02441	60.5
101.58887	1.9
113.02447	29.5
119.03482	15.7
131.03494	28.5
143.03450	3.7
149.04518	2.5
161.04562	17.3
179.05614	61.6
221.06714	37.9
341.10864	4.3
366.17471	2.0
435.59525	2.3
441.93497	2.3
533.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.40538	4.2
66.42610	4.7
71.01388	40.9
76.96276	5.5
89.02431	75.0
90.07839	4.7
92.63311	6.2
96.14439	5.4
101.02450	23.2
113.02418	25.6
116.87093	4.7
119.03477	20.7
154.91795	5.9
161.04509	7.4
179.05655	48.5
223.98975	5.5
236.49734	6.6
346.89767	5.6
374.06790	6.6
501.88275	7.0
533.26129	12.7
555.66345	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.6
59.01384	19.4
69.03450	0.5
71.01377	26.1
72.99291	0.6
73.02937	10.5
83.01382	3.6
85.02949	11.1
87.00903	1.0
89.02448	13.0
89.06792	0.5
95.01393	1.4
97.02932	1.4
99.00876	4.0
101.01781	1.0
101.02439	30.4
101.03086	1.3
102.53744	0.6
113.02443	17.2
119.03492	6.6
124.42912	0.7
125.02431	2.8
131.03456	0.6
132.81905	0.7
138.26212	0.6
143.03516	0.8
159.02980	3.0
161.02475	1.3
161.04550	9.4
176.04842	1.1
209.15497	3.5
213.23253	0.7
329.13538	0.8
336.26608	0.7
342.11096	0.7
359.14810	0.8
371.20901	5.3
480.41632	0.8
533.26105	100.0
546.07129	0.7
593.18915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01379	37.3
72.99328	1.6
85.02953	3.3
89.02436	66.7
92.23050	1.5
101.02431	25.9
113.02461	19.0
119.03493	24.6
131.03522	1.7
143.03499	6.1
152.85689	1.5
161.04523	6.8
179.05637	48.3
231.12317	2.5
366.28146	1.9
533.25977	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
61.98838	1.6
62.72668	1.0
71.01383	10.5
73.02953	2.0
83.01383	1.7
85.02945	7.1
101.02435	13.7
112.90633	1.3
113.02448	6.4
115.03989	4.7
116.96577	1.1
119.26602	1.1
121.70612	1.0
127.38231	1.2
146.72853	1.2
151.32532	1.1
173.67484	1.3
205.05118	2.4
241.34273	1.4
328.03168	1.7
495.26077	86.6
593.29828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3188
Annotation	Murrafoline
Peak:m/z	Relative Intensity
57.03453	0.7
59.01381	12.2
69.03465	1.1
71.01376	16.4
72.03046	0.7
73.02940	4.4
75.00866	1.1
83.01379	3.0
83.64065	0.7
85.02943	5.7
85.30165	0.9
87.00874	1.5
89.02441	10.5
97.02928	1.1
99.00867	1.5
101.02452	15.4
111.00862	1.0
112.63781	0.7
113.02440	7.7
115.86695	0.7
119.03500	3.0
119.08578	0.7
125.02443	1.0
129.01936	1.7
131.03484	1.5
148.61835	0.6
155.44737	0.7
161.04541	3.8
176.43042	0.6
206.47081	0.7
251.20154	5.2
253.21761	20.9
269.21255	17.6
308.17334	0.8
413.25381	1.4
431.26559	21.1
575.31232	0.9
593.31879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03176	0.8
58.63906	0.8
59.01369	1.1
61.09335	0.9
64.87976	0.9
73.02917	1.0
76.54045	0.8
97.06597	1.4
121.99247	1.0
125.09719	65.8
168.06863	0.9
169.08681	2.1
187.09772	100.0
232.99135	0.9
261.13455	84.6
359.14999	3.5
376.40964	1.0
549.19580	1.1
600.55176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69263	0.4
59.01384	5.3
60.02359	0.5
61.98828	0.7
62.55683	0.4
71.01370	1.0
78.95879	4.1
80.92107	0.4
89.02438	2.8
101.02419	3.3
113.02491	0.6
152.99574	4.1
155.10802	6.0
161.04555	2.0
171.10280	2.7
241.01114	1.0
247.77190	0.6
253.09294	12.0
277.21817	4.1
279.23279	9.5
297.24377	100.0
462.04779	0.5
473.07111	0.6
533.33362	13.1
593.27130	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4399
Annotation	Annomolon A
Peak:m/z	Relative Intensity
54.59192	0.4
55.33653	0.4
62.76153	0.6
83.02493	0.8
84.00899	1.2
88.29053	0.5
100.60266	0.5
101.84168	0.5
111.95502	0.5
113.07213	0.6
129.10353	4.3
130.08784	0.7
130.09874	0.9
130.75208	0.5
130.76283	0.6
139.08717	1.3
140.07155	2.6
155.08292	5.2
170.09367	2.2
196.14534	3.8
198.16129	2.9
201.34674	0.6
207.15123	3.9
213.19760	7.0
214.18077	0.6
225.16074	3.3
235.18187	0.8
239.18124	0.6
242.18805	4.7
243.18208	0.9
252.20677	0.6
264.69183	0.6
270.21881	1.3
281.25949	0.7
282.19382	2.3
283.17758	2.5
300.20474	0.7
309.25577	2.9
311.24557	12.0
326.27884	0.7
338.28259	1.1
356.26709	9.0
366.28769	3.2
421.35477	4.9
439.36551	2.0
508.42297	2.5
549.45337	2.1
593.44031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
68.71798	0.6
78.95913	1.3
93.14096	0.6
121.61463	0.7
148.60275	0.6
159.91862	0.6
221.19098	0.8
235.25436	0.6
239.20175	100.0
252.63391	0.6
343.77762	0.7
346.64053	0.6
593.35162	1.2
599.44519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56789	1.1
51.84488	1.2
65.58041	1.4
71.16361	1.3
72.99309	9.2
83.05030	13.1
88.39209	1.4
98.08882	1.7
102.66618	1.5
111.04520	22.2
112.94029	1.6
113.02412	1.8
115.04015	9.6
127.04014	73.2
129.05595	6.0
137.02415	2.2
148.50964	1.5
155.02222	2.9
155.03506	83.7
199.02524	52.7
216.05186	7.3
217.03566	100.0
302.09277	1.5
471.42810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.18
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.6
60.11954	0.5
68.07791	0.5
80.22871	0.7
113.02461	0.7
121.29193	0.7
124.07681	2.2
126.09235	18.3
127.03951	1.1
130.47758	0.6
133.64676	0.6
142.48445	0.7
144.54410	0.6
155.03505	0.9
170.08229	100.0
191.05704	1.2
192.76903	0.6
199.02492	1.4
217.03601	2.7
217.08315	28.6
287.62469	0.6
346.74957	0.7
490.46985	0.8
574.40399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21735	2.0
54.60956	2.0
57.20988	2.0
59.01374	10.4
64.49725	2.1
89.02438	5.3
95.45065	2.7
106.63977	3.6
107.60857	2.5
121.65498	2.9
125.06113	4.9
130.08731	26.4
172.09790	34.9
176.04630	3.1
216.05139	100.0
279.10852	10.9
377.14505	16.2
568.26813	2.9
601.16406	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29877	1.8
53.12851	2.2
60.95114	2.4
64.90531	2.0
65.13609	2.0
67.09952	2.1
74.02464	11.3
87.05635	3.3
90.07778	2.3
94.85541	2.0
96.00918	42.7
98.02461	30.1
110.02470	10.6
111.00879	2.6
113.03587	25.1
116.05067	27.4
117.57364	2.1
119.05020	31.6
127.05083	3.1
129.10349	3.0
131.04634	14.2
142.06589	10.7
155.08252	26.0
157.07709	5.1
159.09277	9.5
168.09001	2.9
169.09822	15.5
186.05647	2.9
187.10840	13.5
190.60223	3.1
203.08286	70.2
258.11407	3.3
270.16110	11.2
284.79434	2.5
296.14139	4.8
316.16696	18.3
342.14389	3.0
409.18790	2.7
446.17697	2.7
559.22076	74.2
576.24719	84.5
594.25873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04496	0.6
61.98832	100.0
70.99755	0.6
78.95918	1.5
100.47749	0.7
141.17610	0.9
241.28375	0.8
275.32794	0.9
338.13052	0.9
426.36188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31052	0.5
51.91636	0.5
54.10297	0.5
61.98833	100.0
62.38745	0.5
62.93539	0.5
63.83776	0.6
68.56030	0.6
76.29656	0.5
78.95898	1.3
90.81618	0.7
94.34315	0.5
107.60237	0.6
119.58436	0.6
121.23895	0.9
152.99590	3.5
225.43672	0.7
241.01181	0.8
278.22125	1.1
594.27374	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44938	0.7
59.01382	15.3
69.33253	0.8
78.95912	10.8
80.96513	3.7
87.83842	0.9
91.64368	0.8
96.95999	1.4
106.29647	0.8
113.09707	1.2
123.19572	0.9
125.09741	1.1
128.10120	0.8
152.99597	4.7
168.04282	5.3
171.10274	12.1
187.23555	1.0
195.13934	21.3
224.06960	11.7
242.07993	2.1
277.21765	36.0
277.24225	1.3
295.22806	73.6
339.49884	1.0
431.83203	1.1
462.60938	1.4
520.30469	100.0
594.26282	11.5
594.34424	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84122	1.0
51.15340	0.9
53.60827	0.9
59.01385	10.0
77.42503	0.8
78.95900	12.0
80.96506	1.8
94.98027	1.4
102.85450	1.1
105.73204	1.2
106.66723	1.0
152.99535	5.9
165.14211	1.1
168.04398	3.7
169.95418	0.9
171.10263	33.0
224.06964	12.5
228.50526	1.1
242.08014	2.0
249.55952	1.1
277.21765	50.0
295.22784	41.5
440.82440	1.2
520.30493	100.0
594.26563	3.8
594.34387	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03169	0.7
54.78690	0.7
55.11125	0.6
59.01384	11.3
60.76892	0.6
69.91203	0.6
71.96434	0.6
78.95917	5.1
80.96501	1.0
84.18031	0.8
97.25910	0.7
98.93507	0.7
113.09708	1.8
114.17477	0.7
114.50636	0.7
144.72237	0.7
152.99617	1.7
159.01355	0.7
168.04245	1.5
179.14348	2.9
195.13916	37.8
202.25507	0.8
221.69046	0.7
224.06944	0.8
242.07985	4.0
277.21750	31.6
295.22806	100.0
332.91669	0.8
372.20764	0.7
449.23044	1.0
497.78806	0.8
520.30481	98.9
594.26563	3.2
594.34698	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24905	0.6
59.01380	8.2
60.33271	0.6
61.01330	0.6
72.67990	0.7
78.95895	7.2
95.63011	0.7
128.24812	0.9
152.99635	3.6
168.04350	1.6
191.47833	0.8
215.59679	0.9
224.06934	7.1
294.06165	1.0
295.26440	100.0
306.23022	0.9
357.27185	0.9
507.39560	0.8
520.26270	1.8
520.34186	55.0
594.37408	4.2
614.91650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47165	0.7
58.37270	0.7
59.01387	7.6
60.11814	0.7
71.73050	0.8
78.95904	5.3
152.99573	7.7
198.68269	0.8
201.11333	1.0
250.69489	0.8
255.23329	1.7
256.23587	1.6
295.26443	100.0
520.34167	45.8
594.37158	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86863	0.9
71.08237	1.2
78.95914	9.2
83.00452	1.0
92.90511	1.0
94.64471	1.0
97.06575	5.1
111.08131	5.0
123.08125	1.4
125.09711	88.0
141.44565	1.1
142.12372	1.3
149.57227	1.0
152.99573	2.4
159.46779	1.2
169.08751	1.4
169.13518	1.1
172.09789	5.8
186.11360	72.9
245.97459	1.3
254.24843	6.7
255.06807	1.1
256.23727	2.2
278.21140	1.3
321.21817	1.8
322.20273	5.0
339.22906	34.0
594.34570	6.3
594.48590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1318
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01387	0.8
64.28694	0.3
64.29058	0.3
65.53938	0.3
71.01389	0.3
81.05983	0.4
89.02452	0.8
105.33012	0.3
119.03527	0.3
151.00400	2.4
178.99940	2.4
243.02937	0.5
254.02277	0.7
255.03032	9.2
271.02512	17.1
272.03317	1.8
272.32202	0.4
299.02136	0.6
300.02802	100.0
301.03506	5.6
351.87140	0.4
364.37964	0.4
535.27905	2.6
595.13165	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13852	0.3
59.01391	0.6
71.01353	0.3
89.02458	0.3
96.93911	0.3
101.02477	0.5
151.00381	2.1
161.02412	0.6
178.99850	2.3
179.03477	0.6
183.75565	0.3
191.05693	0.5
243.03040	0.8
254.02261	1.3
255.03047	8.6
271.02518	16.5
272.03311	0.5
289.48816	0.3
299.02075	0.4
300.02780	100.0
301.03619	5.9
433.14789	0.4
504.41525	0.4
595.13135	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38946	2.0
70.61052	2.4
75.65956	2.3
77.39182	2.5
78.95902	47.2
92.41051	2.3
96.96939	10.3
109.55048	2.2
113.77082	2.0
143.73642	2.4
152.99594	69.7
155.57590	2.3
171.00652	11.3
209.60211	2.9
223.00174	4.0
225.05608	16.7
241.01256	21.8
253.05057	43.9
254.05814	9.0
271.22739	4.2
279.23285	22.5
282.05365	78.5
297.07669	100.0
343.55505	3.3
595.28589	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11104	1.2
52.03621	1.3
52.18232	1.2
56.62494	1.6
57.30788	1.4
58.36888	1.4
58.68295	1.4
59.01384	22.6
60.01521	1.2
64.33536	1.6
71.01371	10.7
72.99302	9.5
73.02977	1.7
75.00874	2.5
84.34212	1.7
85.02953	4.0
89.02440	9.9
92.22511	2.0
96.96014	9.7
101.02448	9.8
108.02139	2.2
113.02433	5.7
115.03954	1.9
119.03445	2.3
121.02911	1.7
123.04494	6.7
133.02985	17.2
135.04518	6.2
147.04526	2.6
149.02432	16.0
151.04004	3.4
152.01163	3.9
161.04617	1.8
163.03905	3.0
164.04787	43.1
165.05574	8.0
173.04503	3.0
174.95105	1.5
175.00429	6.5
179.03477	7.3
179.05643	4.0
179.07103	8.8
190.02739	47.6
191.03557	3.9
197.04561	7.9
205.05084	74.1
206.05890	19.9
207.02956	2.8
208.03729	2.9
209.04437	1.9
221.08206	22.1
223.06131	53.9
225.07779	3.2
237.07707	10.6
250.04774	9.3
265.07187	35.8
294.14297	1.9
295.08167	8.2
325.09186	8.1
385.11337	3.9
474.27380	1.8
551.17780	100.0
595.19672	24.8
595.30029	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1679
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
58.53668	0.8
59.01385	8.8
59.62221	0.8
62.79479	1.0
65.00309	1.7
66.69765	0.9
71.01389	8.2
83.01410	1.7
86.54568	1.0
89.02438	7.3
97.89354	0.9
101.02422	6.5
101.27628	1.0
107.01376	5.5
107.65757	1.0
110.25939	1.0
113.02406	1.6
113.20010	1.0
125.02440	1.8
135.04532	45.7
151.00371	100.0
161.02409	1.8
164.38234	1.0
175.00380	6.5
193.01390	1.3
209.04538	1.4
287.05630	53.3
340.12460	1.1
529.01270	1.2
535.27728	2.4
595.16595	35.1
595.30060	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
63.97145	0.6
75.80722	0.8
77.62302	0.7
87.90989	0.9
96.17629	0.8
114.86956	0.8
117.55676	0.7
121.02952	1.1
122.03716	3.3
133.02948	1.4
149.02399	9.7
150.03221	74.3
161.14340	0.8
164.04785	4.1
165.05562	85.0
180.04268	7.5
186.10652	0.8
195.06621	38.3
195.08330	1.8
249.05515	1.1
279.10358	3.2
294.09033	3.0
311.05637	7.4
324.11987	0.9
325.07065	0.7
325.10773	3.8
338.08145	1.2
339.05133	18.4
341.06738	1.2
351.05219	1.4
353.10123	3.2
354.07437	5.3
369.06171	70.7
383.07935	1.3
384.08554	21.1
384.13147	1.5
399.10883	100.0
517.14154	0.9
547.16046	17.6
595.18042	8.0
595.26886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41692	1.3
61.04721	1.5
65.41262	1.5
66.29082	1.6
71.01381	10.1
83.16163	1.9
83.77096	1.7
89.31788	1.8
115.00356	39.2
115.22156	1.7
133.01422	100.0
187.64781	1.7
206.70740	1.7
530.01154	2.3
585.30450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12089	1.7
59.01105	4.4
59.01385	100.0
76.76301	2.2
77.00806	2.1
82.21832	1.8
85.02933	2.3
97.41044	2.0
103.00385	2.8
103.04026	11.5
114.20151	2.0
115.04015	2.7
125.02440	11.9
133.05064	76.6
153.01903	3.4
175.06122	37.2
178.99899	3.3
179.58185	2.2
191.05714	2.6
216.38162	2.3
234.00563	2.4
244.26743	2.4
259.06119	37.8
265.09222	2.4
284.23959	2.4
287.05679	11.5
301.07224	2.9
433.15298	4.2
567.17065	4.1
595.16815	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	8.5
72.99310	2.2
89.02432	1.0
102.90553	0.5
115.00362	40.5
130.07413	0.6
133.01427	100.0
153.94006	0.6
161.87540	0.5
164.71515	0.6
340.35538	0.6
346.71863	0.5
404.80289	0.7
454.88660	0.7
455.62833	0.6
510.69336	0.6
605.10608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42105	0.4
77.95477	0.5
84.95865	0.5
88.54390	0.5
95.30731	0.5
116.55050	0.5
138.03264	0.6
158.39424	0.6
166.02702	19.0
173.88062	0.6
178.02675	0.8
179.03476	0.6
188.44528	0.5
200.81801	0.6
224.08505	0.7
225.05640	0.9
252.07886	3.8
253.05025	2.7
254.05899	0.8
267.10376	5.3
270.08978	12.0
279.23267	0.9
282.05334	10.2
285.11343	100.0
297.07767	16.6
297.11237	2.8
309.07648	0.9
379.45007	0.6
495.43994	0.5
576.31586	0.6
595.19873	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2044
Annotation	Staunoside C
Peak:m/z	Relative Intensity
58.44719	0.9
59.01375	6.9
69.03446	0.9
70.20568	1.0
71.01374	4.3
72.99287	1.6
73.02964	1.0
75.00867	13.9
85.02930	1.5
89.02452	1.4
92.22482	1.1
96.53860	1.0
101.02454	2.0
102.21152	1.0
113.02445	1.7
115.37878	1.1
139.00371	1.7
149.02425	9.7
153.05548	1.6
163.03934	1.6
164.04797	22.1
166.02716	1.8
175.00365	4.7
176.01050	1.6
179.03613	1.2
179.07111	4.0
181.05020	1.5
190.02739	56.3
191.03490	5.9
194.02043	1.1
194.05832	4.6
202.00165	1.1
205.05064	63.1
206.05830	4.4
208.03917	1.4
209.04517	4.6
209.08136	1.9
218.05901	1.6
221.08290	7.6
223.06100	21.6
237.07608	2.2
250.04793	1.7
251.05641	4.0
260.07697	1.3
265.07205	10.4
355.08499	1.4
358.10739	13.6
373.13004	15.4
403.10297	4.9
418.12753	1.6
433.15048	37.7
499.86008	1.2
595.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.9
64.22173	0.9
68.99815	1.7
71.01371	1.2
101.02456	2.4
108.02173	6.5
113.63479	1.2
123.00883	4.5
123.04508	11.8
131.04564	1.5
138.03226	2.1
146.03716	2.4
150.03215	6.2
161.02446	2.2
161.06102	2.3
162.03174	1.1
163.04028	4.3
164.04779	4.8
165.05530	4.6
175.04012	4.7
177.05580	13.4
178.02704	24.5
179.03506	4.9
179.07135	22.4
181.05032	4.0
193.05075	47.9
194.05856	2.4
219.06770	2.2
270.32642	1.0
304.45911	1.0
343.11865	5.1
358.10678	2.4
373.12964	100.0
387.14511	4.3
399.12790	2.1
433.14975	11.6
439.69565	1.0
535.27246	1.7
595.20618	2.3
595.29572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92420	0.6
53.22602	0.7
53.23872	0.6
59.01101	1.2
59.01382	21.2
63.93086	0.7
65.02087	0.8
79.04903	0.7
150.03220	3.8
162.03233	55.3
165.05544	11.1
177.05577	100.0
195.06639	4.9
251.80484	0.8
255.47163	1.1
266.55157	0.9
278.05750	1.6
325.10889	4.6
329.14059	4.3
373.13074	9.6
403.17740	5.6
521.54712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05183	0.9
52.17546	1.1
53.99548	1.1
59.01383	100.0
71.01379	4.7
73.02943	1.2
78.22711	1.2
80.72942	1.0
81.89808	1.1
84.07684	1.1
85.02953	1.9
89.02454	2.2
95.97956	1.2
96.95991	29.8
98.91476	1.2
101.02451	2.2
109.02936	5.6
112.74668	1.0
113.02442	1.6
119.03554	1.6
121.02943	2.6
135.04575	1.5
161.04515	1.9
163.04057	1.5
179.05643	1.5
181.05011	1.6
198.05569	1.3
209.14342	1.3
260.62833	1.3
358.14264	58.9
373.16592	91.0
387.14630	3.0
428.28214	1.5
535.21741	2.4
595.23035	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80412	0.4
55.97284	0.4
57.02825	0.4
57.16280	0.4
57.43687	0.4
58.24526	0.4
59.01384	100.0
61.98839	1.7
62.43309	0.4
71.01382	4.2
73.02966	0.5
75.00863	0.7
75.90192	0.4
84.03478	0.4
85.02966	1.0
87.00884	1.1
89.02434	0.9
96.96038	0.6
101.02446	2.4
110.17303	0.4
113.02467	1.0
119.03495	0.6
147.04588	2.1
156.94772	0.6
161.04593	2.9
164.04813	2.9
174.01254	0.6
175.04106	2.3
175.07631	1.0
176.04782	0.8
177.05551	9.2
192.07979	7.5
193.05196	0.7
247.63344	0.5
259.70352	0.4
298.12274	1.1
320.88654	0.5
328.13196	18.1
343.15536	59.6
373.16653	11.1
416.46387	0.7
507.22473	1.0
595.30585	11.7
595.66656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33688	2.0
54.40067	2.2
65.70909	1.9
105.72340	2.3
131.21291	2.4
304.71063	2.8
349.36395	2.6
405.21045	21.1
419.22556	13.9
432.23300	12.8
433.23560	3.7
447.26010	16.5
460.22821	44.4
464.22275	15.5
475.18359	3.9
475.24857	20.4
479.24368	10.4
490.20169	96.9
507.28281	3.1
519.23981	5.2
551.26740	53.5
563.23059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2769
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
50.19559	0.4
59.01371	0.9
71.01369	1.9
73.02934	0.5
73.75681	0.5
74.38671	0.4
87.00874	0.5
100.86731	0.5
101.02414	1.2
113.02444	0.5
147.00856	0.7
149.02423	3.3
152.01131	0.8
163.03996	2.2
164.04799	12.0
175.00360	5.6
179.07133	1.2
190.02728	37.8
192.50281	0.5
205.05069	81.9
208.03696	1.2
209.04533	1.9
223.06140	9.6
251.05490	0.8
263.11588	0.5
327.91812	0.5
446.12003	0.5
484.04593	0.5
565.23151	3.7
595.27698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43773	1.1
61.98827	1.1
65.83140	0.9
71.01373	2.4
74.69022	1.1
78.98582	4.0
79.95748	3.9
80.96516	35.3
85.02945	1.9
87.00858	1.4
92.76399	1.2
93.94653	1.0
94.98096	11.6
101.02452	1.5
106.98096	1.6
125.02453	1.5
127.96955	1.1
134.97598	1.5
136.99123	1.5
148.99132	7.2
152.98625	7.9
164.98639	13.2
177.57014	1.2
177.79620	1.0
206.99736	4.8
225.00720	23.2
277.21619	1.3
296.44424	1.2
299.04413	5.5
395.81348	1.1
595.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2802
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
50.68858	0.6
59.01358	1.2
61.98824	6.1
71.01380	5.2
73.02935	1.4
73.21963	0.8
78.98595	1.6
79.95731	4.7
80.96510	37.2
80.96990	1.3
85.02943	1.5
87.00864	1.2
94.98082	12.4
96.96104	0.9
97.02958	1.2
101.02450	3.1
104.52622	0.8
106.98052	1.3
122.97559	1.5
125.02437	4.5
134.97586	4.4
136.99121	1.0
148.99155	6.1
152.98581	6.6
164.98607	18.2
171.10161	0.9
188.22093	0.8
206.99664	3.6
225.00781	28.3
295.22842	4.1
299.04510	5.7
473.81830	0.9
490.20276	0.9
514.05066	0.9
519.23926	3.9
563.23242	3.0
595.27930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11172	0.9
61.98853	1.1
64.96765	1.0
68.94763	1.0
71.01389	1.6
74.74403	1.0
76.22768	1.0
78.98583	2.6
79.95730	4.2
80.96518	39.9
87.00836	1.9
94.98096	12.0
96.96008	1.3
97.02946	1.3
101.02442	1.9
106.98075	2.0
110.16065	1.2
122.97514	1.1
125.02440	2.4
134.97585	4.4
144.19524	1.0
148.99139	6.1
152.98645	7.7
164.98610	15.3
204.80130	1.1
206.99608	2.6
225.00793	25.4
295.22739	1.8
299.04483	5.8
440.80167	1.7
595.28046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23503	0.5
53.81212	0.5
56.12682	0.5
57.16533	0.4
59.01369	0.8
71.01374	4.2
71.04194	0.5
78.98588	3.8
79.95734	3.7
80.96513	35.6
80.96993	1.2
85.02959	1.1
87.00851	0.9
88.55383	0.7
90.09319	0.6
94.98096	8.4
95.01472	0.6
97.02937	0.8
100.52153	0.5
101.02434	3.0
106.98103	0.8
110.60609	0.5
116.71482	0.6
116.75940	0.6
122.97562	3.3
125.02442	2.7
127.04004	0.8
128.68024	0.6
134.97562	3.7
136.99181	1.0
148.99103	6.8
152.98631	6.9
164.98642	12.3
167.00180	0.7
176.76006	0.6
182.99716	2.4
195.13776	1.1
206.99734	3.6
225.00760	31.9
243.01778	1.4
295.22876	2.9
299.04404	4.1
316.45068	0.7
448.05234	0.7
595.27985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86112	0.5
57.10828	0.5
65.76620	0.5
71.01385	4.2
78.98586	4.0
79.53111	0.6
79.95740	4.0
80.96513	32.4
85.02959	1.3
94.98083	9.7
95.87337	0.8
101.02425	1.5
106.98100	0.9
122.97567	1.3
125.02477	4.8
134.97606	4.4
136.99136	1.1
148.99112	6.1
152.98616	7.8
164.98634	13.5
171.10214	0.8
206.99704	3.9
212.27715	0.7
225.00742	23.6
277.21896	0.8
280.13269	0.7
299.04395	5.6
308.73254	0.7
519.43494	0.7
527.25104	0.7
595.28058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2801
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.80173	1.1
71.01367	2.4
78.98583	1.9
79.95731	6.1
80.79893	1.2
80.96513	27.9
85.02932	1.6
87.00877	2.0
94.98077	11.4
101.02425	1.2
106.98094	1.9
111.42709	1.3
122.97609	2.1
134.97478	1.8
136.99158	2.2
140.26906	1.3
148.99149	2.8
152.98608	7.1
164.98642	14.6
167.79417	1.3
206.72385	1.4
206.99683	2.8
225.00726	23.8
299.04434	2.5
311.12955	1.3
411.96671	1.4
544.00000	1.6
595.28003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57168	0.8
50.67787	0.9
53.81212	0.9
55.60842	0.9
55.64898	0.9
59.01377	1.3
61.98835	7.9
69.15766	1.1
73.21701	1.0
73.26648	1.1
75.91028	1.0
78.95470	2.0
78.95903	37.1
96.96957	5.3
104.35323	1.1
116.92802	6.8
117.92876	1.2
122.00062	1.2
125.09681	1.2
126.97414	1.1
127.37333	1.1
152.99585	100.0
167.58047	1.0
171.00641	2.2
239.34079	1.1
241.01201	11.8
279.23303	34.6
315.04596	1.5
426.80945	1.1
433.23645	19.2
595.28821	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26488	0.6
52.28226	0.6
53.91286	0.6
65.88860	0.7
78.95897	26.8
79.89270	0.8
96.96954	8.4
126.87696	0.7
137.80716	0.7
139.56143	0.7
152.99588	54.5
176.86703	0.8
197.63614	0.9
222.53767	0.8
241.01207	37.6
248.22934	0.8
259.02240	1.0
279.23318	92.3
315.04858	6.5
415.22623	1.7
595.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87803	0.6
66.37432	0.5
76.87183	0.6
78.81113	0.6
78.95904	20.9
78.96365	0.9
96.96969	7.1
104.78306	0.6
109.17756	0.6
119.72192	0.6
120.78426	0.6
141.53958	0.6
142.12325	0.7
152.99583	46.1
173.29709	0.7
187.91794	0.7
223.00121	1.4
236.02141	0.7
241.01218	30.0
249.34196	0.7
279.23322	77.5
315.04929	3.1
415.22134	0.8
595.29010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	20.4
79.37482	0.5
83.58427	0.6
88.67817	0.6
96.96925	4.0
116.15475	0.6
119.45765	0.5
132.40805	0.6
152.99586	62.0
171.00597	2.3
182.08484	0.6
198.89839	0.7
223.00215	7.2
241.01204	18.1
259.02206	2.1
261.22336	0.9
279.23306	69.4
315.04880	4.8
457.80035	0.7
595.28973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47326	0.7
57.67229	0.7
78.95908	24.8
92.22536	0.8
96.96972	4.8
104.79740	0.8
118.88187	1.0
138.75633	0.8
147.99431	0.7
152.99591	62.4
171.00681	1.6
223.00188	7.7
241.01241	20.2
253.45021	0.8
259.02298	0.9
279.23328	84.2
287.13300	0.9
298.52072	0.9
315.04907	4.3
450.91800	1.2
595.29010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21112	0.8
53.73982	0.7
59.45186	0.8
63.73085	1.0
73.54006	0.8
78.95897	29.6
86.52040	0.9
90.03755	1.0
96.96929	7.0
100.13931	0.8
111.24516	1.1
125.76764	1.0
146.17491	1.1
152.99585	78.2
223.00117	1.0
241.01210	27.4
250.68777	0.9
279.23297	84.7
315.05151	2.5
595.28925	100.0
618.04230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20307	0.4
51.92776	0.4
54.97240	0.5
59.01387	3.9
64.86557	0.5
70.02973	0.7
71.01375	6.9
71.56769	0.4
73.02950	2.3
85.02955	2.5
85.06590	14.1
89.02438	2.4
95.02533	0.7
95.43276	0.4
97.03001	0.5
99.00878	2.0
101.02456	7.1
113.02444	5.4
113.03587	4.3
114.01958	3.5
125.59795	0.5
131.03629	1.2
131.04614	15.6
131.07140	100.0
161.04558	7.7
179.03639	0.6
180.22623	0.4
251.18573	0.5
331.17697	4.9
463.21945	51.8
524.44092	0.5
595.16113	0.5
595.30206	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	46.4
70.34834	2.4
71.01377	22.1
89.02437	33.5
89.79966	2.3
101.02436	14.6
113.02442	11.7
119.03521	8.4
122.61831	2.2
126.29771	2.4
134.54242	2.6
139.50439	2.3
156.27946	2.3
162.03235	4.0
177.05644	3.6
428.63101	2.3
476.72595	2.8
509.27530	2.3
535.27740	100.0
541.92590	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34678	0.8
57.03453	1.2
59.01386	27.5
64.58794	1.0
71.01383	30.4
73.02957	8.4
83.01391	1.6
84.93481	0.9
85.02957	6.5
87.00872	1.2
89.01881	1.3
89.02441	37.0
95.01396	1.8
99.00854	1.8
101.02445	30.6
113.02442	19.1
119.03513	16.0
125.02422	1.5
130.46745	1.2
131.03526	5.2
149.04480	1.2
161.04570	7.0
163.04042	2.4
173.56120	1.0
179.05612	10.0
221.06667	6.0
223.06229	2.1
325.65442	1.4
373.12839	4.3
385.11459	1.6
410.70154	1.1
535.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71557	0.7
59.01382	55.0
60.36943	0.8
71.01379	20.7
71.01736	1.4
73.02934	9.4
73.03300	0.8
78.22307	0.8
80.21394	0.8
83.01357	1.9
85.02947	11.1
86.93567	0.8
89.02433	8.5
89.91083	1.0
91.52733	1.0
95.01369	3.6
98.32940	0.9
99.00848	1.4
101.02435	23.0
113.02451	15.2
114.50398	0.8
119.03506	1.8
137.08670	1.0
147.56622	0.9
159.03023	1.3
161.04498	4.0
164.80359	0.9
272.36575	0.9
300.02826	1.8
373.22546	1.6
535.27673	100.0
595.29980	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.7
59.01385	40.3
65.93941	1.0
71.01376	21.4
72.99289	1.1
73.02937	1.7
75.00868	0.9
83.01412	1.4
85.02946	6.8
87.00864	2.5
89.02431	25.8
92.23175	1.1
95.01368	1.1
96.03305	1.1
101.02429	21.3
111.00855	2.2
113.02438	10.2
117.92122	1.0
119.03519	8.0
130.62077	1.0
134.81281	1.1
317.72845	1.1
321.36838	1.1
415.23444	1.4
535.27991	8.4
577.27460	1.1
595.29822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97580	0.6
59.01384	1.1
70.63353	0.5
78.45128	0.5
81.65520	0.6
83.05016	0.7
85.02948	2.5
113.02441	100.0
163.66142	0.6
166.72162	0.5
193.31496	0.6
255.23358	0.9
595.38062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17432	0.6
53.20636	0.6
53.39489	0.5
53.44376	0.6
59.01382	100.0
71.01393	1.0
80.49130	0.7
83.78854	0.7
92.77290	0.7
101.02451	1.1
117.65645	0.8
130.10156	0.7
151.53177	0.7
161.04530	0.8
193.65735	0.7
199.82771	0.8
227.57715	0.8
227.59955	0.9
248.91304	0.7
331.22955	1.1
337.09875	0.7
493.28348	1.7
535.28998	9.4
595.31372	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70894	0.4
59.01376	1.9
63.78271	0.3
65.82997	0.3
71.01378	1.8
73.02927	0.5
78.95895	0.5
85.02959	0.9
97.02934	0.6
99.07059	0.4
101.02449	2.5
113.02438	1.8
115.03994	2.3
163.66940	0.4
164.04694	0.6
190.02730	2.2
197.45808	0.4
205.05042	3.4
335.22333	13.6
479.26517	2.8
497.27652	100.0
595.18689	0.5
595.28345	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19378	0.4
59.01383	100.0
63.79322	0.5
75.67051	0.4
91.79094	0.5
101.02428	0.6
117.13356	0.5
220.81679	0.5
269.84314	0.6
367.43301	0.5
391.83981	0.6
535.29449	2.2
595.30841	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76167	0.4
54.46626	0.4
59.01383	7.6
61.37395	0.5
64.02595	0.5
71.01379	5.8
73.02941	1.2
85.02936	1.3
89.02427	4.0
99.00838	0.9
101.02440	7.8
103.45112	0.5
113.02427	3.9
115.03990	0.5
119.03472	0.7
124.93304	0.5
131.03487	0.6
134.35020	0.6
134.59921	0.6
152.77318	0.5
156.65930	0.5
275.20203	11.0
280.92566	0.6
317.21286	14.6
335.22342	26.1
466.82458	0.5
481.55783	0.9
497.27643	100.0
595.31342	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.25058	0.8
78.63620	0.8
106.65993	0.9
119.05020	1.4
147.89510	1.0
151.52704	1.0
171.61243	1.0
281.34705	1.1
401.06195	1.1
535.28717	1.1
595.31067	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.6
71.01379	10.7
72.24351	0.7
73.02940	3.7
81.03425	0.8
83.01370	0.9
85.02943	3.5
87.00880	1.1
89.02436	3.7
90.06398	0.6
91.46951	0.7
99.00893	0.9
101.02435	12.2
113.02467	5.4
119.03501	1.4
125.02364	1.1
178.26219	0.7
209.97307	0.8
271.22809	21.5
400.07382	0.8
415.27066	4.5
433.28137	39.0
438.79068	0.9
556.63214	0.8
577.31982	1.0
595.33453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14543	1.0
59.01371	1.0
72.74741	0.8
73.80017	0.9
83.55000	0.9
109.66867	1.1
113.09705	1.6
139.11281	4.0
191.18037	4.9
247.20705	1.5
249.59528	1.1
293.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
77.79506	0.6
78.21664	0.6
88.32816	0.6
90.86648	0.5
92.22533	0.6
157.25209	0.6
168.67584	0.6
171.10269	9.0
279.23325	11.3
297.24359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51220	1.0
52.64325	1.1
53.80560	1.2
56.99156	1.1
61.98840	1.1
62.08697	1.1
82.56880	1.3
96.96017	2.1
111.00862	18.8
199.15334	1.4
203.62207	1.2
286.30527	1.3
293.06989	11.1
294.07779	34.9
305.08774	1.2
306.04077	5.5
321.06088	1.4
322.07224	100.0
336.08997	5.8
431.36197	1.5
434.12561	1.6
484.12524	27.5
596.14264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26295	2.9
59.01371	4.5
61.98839	6.9
71.01372	3.5
96.09834	3.1
103.53990	3.6
119.04731	3.2
129.01907	4.8
136.04095	4.4
138.28133	4.0
147.73047	3.4
159.64572	3.2
166.19966	2.9
169.04990	3.5
180.02937	6.1
254.58968	3.3
300.65634	3.5
306.04071	34.7
332.06674	3.4
336.08786	19.5
474.56296	4.0
488.70868	3.9
542.18616	4.9
560.19843	28.2
596.17419	100.0
596.25830	8.5
609.15875	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
82.54863	0.5
85.74801	0.4
138.01953	1.2
160.93219	0.5
306.04105	100.0
321.06458	47.6
336.08817	85.7
391.31339	0.6
434.12509	41.8
498.14093	15.3
596.17566	15.4
600.72223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72906	0.4
59.01376	0.5
69.33724	0.5
72.43900	0.4
73.04895	0.4
95.82131	0.4
139.97522	0.4
148.81242	0.5
275.57669	0.5
280.94168	0.5
306.04120	100.0
321.06454	45.4
321.10367	0.8
336.08820	82.6
434.12451	11.3
498.14130	42.3
558.28986	0.5
596.17920	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86777	0.5
57.75549	0.5
59.01101	1.1
59.01382	19.9
60.01718	1.4
61.01806	0.8
61.98834	100.0
62.02137	0.6
71.01382	3.3
85.02945	0.7
85.14733	0.6
94.98503	0.7
96.96000	0.7
101.02442	1.5
113.02463	1.4
119.39565	0.6
161.04549	2.9
194.67596	0.6
293.61261	0.7
344.16122	0.8
490.89182	0.7
518.21301	12.0
536.22253	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59519	1.1
71.71159	1.4
91.94987	1.2
99.00866	2.8
107.17484	1.2
111.22894	1.5
124.15581	1.3
125.06071	7.4
127.03980	1.8
155.03535	2.1
169.05063	3.2
180.58205	1.4
196.17155	1.6
216.05144	100.0
217.03555	6.9
523.23450	1.5
622.62854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25538	0.8
51.88667	0.8
53.34686	0.8
55.40420	0.8
56.64072	0.8
58.96286	0.8
61.98831	100.0
78.95905	10.7
83.76235	0.9
96.96963	1.5
97.50707	0.9
120.07265	0.9
152.99599	22.1
203.54007	0.8
204.67627	0.8
218.02675	0.9
241.01256	8.4
242.01561	2.0
279.23276	12.1
280.23694	17.4
298.24686	1.4
300.25314	1.1
596.29309	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97064	0.5
51.74329	0.5
54.88755	0.5
56.56147	0.5
59.01376	6.4
76.99206	0.5
78.95893	8.6
102.55524	0.6
147.12070	0.5
152.99622	4.0
168.04344	2.5
186.12553	0.9
224.06969	8.6
242.08047	0.8
244.53951	0.7
279.23157	0.9
297.28012	100.0
505.96609	0.7
522.35681	65.4
596.40234	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09945	6.6
58.91219	6.4
59.01395	6.0
87.15836	6.3
107.33703	8.1
111.08150	11.0
125.09718	29.4
172.09731	16.7
186.11359	17.0
200.70860	9.4
239.16536	11.7
305.06412	9.2
333.59659	8.8
339.22787	9.4
384.05234	9.1
409.30881	11.5
452.20438	8.5
596.42682	100.0
610.29871	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72496	0.9
60.80320	1.0
64.80384	0.9
67.93168	0.9
72.13927	1.0
76.83076	1.0
80.96519	1.1
111.08167	9.7
125.09733	11.2
153.12856	13.6
167.14413	15.4
172.09842	9.3
186.11359	6.5
186.64185	1.1
197.11868	17.5
211.13438	26.4
214.14536	22.3
215.12921	11.5
228.16049	26.9
229.14479	9.9
300.52426	1.4
350.23206	4.4
361.73596	1.2
367.26056	19.3
381.27826	12.4
409.30698	5.6
423.31934	1.8
596.27960	3.5
596.42877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39290	0.7
57.03425	0.8
57.27242	0.7
62.28944	0.7
74.38625	0.7
97.06573	1.7
105.36900	0.8
110.51566	0.7
122.28407	0.8
125.09714	49.8
136.63435	0.8
139.11278	9.5
140.75340	1.1
142.12384	1.5
153.12854	12.4
167.14415	5.5
169.08694	1.2
183.10262	5.5
186.11353	31.6
194.15314	1.4
197.11861	16.4
200.12917	10.7
201.11450	1.0
211.13409	11.4
214.14522	15.9
215.12944	6.7
228.15990	7.6
229.14449	4.4
331.18033	0.9
339.23013	1.2
364.25128	1.5
367.26068	6.0
381.27710	12.5
395.29236	4.8
402.21719	0.9
409.30875	14.8
501.12241	0.9
575.16614	0.9
596.27789	3.5
596.42944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58644	0.4
52.72306	0.4
55.42155	0.4
56.27814	0.3
59.01386	6.3
71.01381	3.9
74.37839	0.4
78.95903	100.0
80.04359	0.5
85.02939	2.1
89.02428	2.8
94.59862	0.5
96.96957	12.7
99.00903	0.4
101.02430	3.0
113.02413	2.8
123.35253	0.4
138.98022	2.4
150.98000	0.8
153.70340	0.4
167.67262	0.5
241.01231	11.1
254.99213	0.7
259.02106	3.7
286.18109	0.5
421.07623	40.0
435.16623	0.5
537.29181	11.2
544.15698	0.5
597.10876	33.8
597.26599	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09598	0.8
59.01376	1.5
62.13422	0.9
71.01326	0.9
78.95901	100.0
82.28398	0.9
89.02426	1.5
90.97674	1.0
96.96954	25.6
109.21732	0.9
110.29355	1.1
137.12230	0.9
138.97987	1.0
150.98001	6.7
166.02531	1.0
169.94144	1.2
223.00136	1.7
241.01309	7.9
259.02255	13.4
421.07602	13.8
597.10724	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19065	0.4
59.01388	0.4
63.71088	0.4
64.57289	0.4
78.95905	100.0
89.02466	0.5
91.43684	0.4
96.96952	11.4
101.02436	0.5
104.53941	0.5
111.36095	0.5
123.17503	0.5
131.50279	0.4
138.98021	3.6
150.98004	3.2
175.42171	0.5
179.07135	0.7
193.50204	0.5
223.00146	0.6
241.01208	11.6
254.98996	0.9
259.02286	4.0
421.07617	37.3
575.85809	0.5
597.10840	31.3
617.20837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14784	1.4
58.53578	1.0
72.99308	61.7
79.02160	1.2
85.40285	1.3
87.79924	1.1
89.28887	1.3
103.92874	1.2
123.04516	27.1
135.04530	35.1
179.03519	51.5
194.06677	1.3
194.89998	1.2
197.04579	100.0
221.00946	15.7
236.03220	13.3
247.06001	1.2
399.09381	14.1
408.90695	1.2
465.40909	1.3
501.67841	1.2
555.57483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58585	0.9
59.01373	4.3
69.53545	1.0
71.01366	4.8
71.37177	1.1
72.14923	1.0
73.90310	1.0
85.02958	1.4
87.00890	1.4
89.02431	1.6
96.95990	18.4
97.67992	1.1
101.02414	6.1
101.04179	1.1
113.02456	1.9
121.02896	6.7
121.13137	1.1
136.98708	1.2
137.02396	5.0
138.03194	6.6
139.00371	2.2
153.05576	23.7
154.02724	1.3
181.01427	16.2
181.43860	1.2
182.02188	25.3
183.02995	6.2
185.37982	1.6
196.03726	2.2
197.04564	100.0
224.80872	1.2
225.04057	6.1
239.05730	1.5
285.06113	1.4
323.56937	1.1
333.34818	1.3
413.11011	4.8
428.13239	12.9
443.15640	54.4
537.29169	1.8
597.14929	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
72.38821	1.1
119.81241	1.2
191.05588	8.2
195.01498	2.6
200.56412	1.5
213.02524	1.7
231.03607	66.0
273.04724	8.8
283.02890	1.7
299.06302	3.0
301.04178	23.1
309.04651	1.5
327.05814	22.1
337.18021	1.3
343.05057	1.3
369.06827	14.5
387.07904	74.9
405.08942	74.4
597.15308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46099	0.6
72.99308	0.9
74.77462	0.6
78.95915	1.4
85.02962	0.8
87.00869	100.0
88.68568	0.7
91.95725	0.7
95.15045	0.6
99.74828	0.6
116.03500	2.7
123.04532	0.6
129.01933	17.1
151.56274	0.6
191.05649	1.2
197.04532	1.2
236.07675	2.7
237.06184	59.0
270.05673	0.7
359.09781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25564	0.6
53.55322	0.5
53.61929	0.6
57.03446	1.1
57.26188	0.6
59.01389	0.9
72.99316	1.3
74.99093	0.8
79.68855	0.7
81.27628	0.7
85.02951	1.4
87.00870	100.0
94.53637	0.7
116.03484	0.8
129.01941	17.2
138.11462	0.7
179.03506	1.0
191.05602	7.3
197.04663	2.8
237.06169	57.7
315.90204	0.7
359.09836	1.5
507.26321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01215	0.6
56.67373	0.5
57.03460	1.0
57.71946	0.5
66.14474	0.6
85.02979	2.0
87.00867	100.0
98.53125	0.6
110.24966	0.6
129.01933	14.6
146.11406	0.6
147.55005	0.6
158.71701	0.6
165.08855	0.6
185.38318	0.8
190.97398	0.6
191.05627	10.9
197.04489	0.7
219.05109	0.7
237.06165	59.7
338.19839	0.7
359.09839	0.9
599.27710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61184	2.1
57.87186	2.0
59.01384	3.9
61.73413	1.9
71.01379	2.6
77.30623	2.2
85.02958	4.8
87.00899	3.5
89.02454	3.7
101.02424	3.7
104.50407	2.2
105.16644	2.1
108.59024	2.1
113.02412	3.0
115.23180	2.7
152.90041	2.4
162.03343	2.6
164.04799	5.2
190.02672	16.8
192.20146	2.2
205.05086	38.5
223.06242	4.9
227.47926	2.3
265.35501	2.3
309.07889	3.5
316.19815	2.7
321.35721	2.7
324.10049	3.0
339.12344	12.8
499.15305	2.7
597.18768	6.3
597.30939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1791
Annotation	Reptanthrin
Peak:m/z	Relative Intensity
55.11866	0.9
57.02436	1.1
59.01371	2.1
59.59371	1.0
61.32538	1.0
64.59565	1.0
69.84495	1.2
71.05022	5.2
71.78777	1.3
74.91885	1.0
78.20284	1.0
78.95905	9.7
79.24722	1.0
85.02947	8.3
96.96952	1.4
99.04537	2.1
109.02941	2.1
113.02457	2.8
118.31853	1.1
123.04504	1.6
125.06104	2.6
127.04012	22.2
147.08142	5.8
149.06085	4.9
151.03998	5.0
152.04817	5.1
152.99600	15.3
157.06573	1.3
166.06343	1.2
169.05031	4.9
171.00612	1.9
173.06064	23.7
178.08160	1.2
185.06110	1.8
191.03398	2.3
197.09688	2.3
239.07149	1.7
239.10797	7.6
241.01245	2.8
241.08739	29.1
242.09523	1.3
245.08182	24.0
252.04280	7.3
255.10242	5.7
257.08160	5.7
257.11853	6.6
259.09772	7.2
269.04395	1.5
280.03644	2.7
281.04770	1.7
283.09769	52.6
295.06146	11.0
299.09335	1.9
301.10834	77.3
304.07556	1.6
313.06833	1.4
351.08847	1.8
390.07452	1.4
400.14236	1.3
537.15857	13.3
597.17670	100.0
597.29865	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69958	1.2
57.03758	1.0
59.01373	8.4
67.01897	1.5
71.01385	5.4
71.02332	1.3
73.03979	1.2
78.49345	1.1
81.03468	1.6
81.75651	1.2
83.05016	1.4
85.25415	1.1
89.02438	1.9
93.03441	14.6
101.02438	2.6
104.24597	1.3
107.05014	2.4
111.04521	7.4
113.02414	5.6
116.92832	1.3
119.05024	47.8
121.02945	25.0
137.02440	5.2
138.19406	1.3
142.21255	1.3
155.03520	7.3
163.04024	86.8
165.05595	5.7
173.04552	100.0
175.39015	1.3
177.26146	1.6
191.05632	5.2
208.06129	2.6
209.04576	21.3
266.53064	1.4
271.02527	2.4
283.16568	1.4
300.02615	9.5
301.03180	9.5
302.03345	8.5
423.12909	2.0
537.28967	6.5
597.18866	47.1
599.10065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69958	1.2
57.03758	1.0
59.01373	8.4
67.01897	1.5
71.01385	5.4
71.02332	1.3
73.03979	1.2
78.49345	1.1
81.03468	1.6
81.75651	1.2
83.05016	1.4
85.25415	1.1
89.02438	1.9
93.03441	14.6
101.02438	2.6
104.24597	1.3
107.05014	2.4
111.04521	7.4
113.02414	5.6
116.92832	1.3
119.05024	47.8
121.02945	25.0
137.02440	5.2
138.19406	1.3
142.21255	1.3
155.03520	7.3
163.04024	86.8
165.05595	5.7
173.04552	100.0
175.39015	1.3
177.26146	1.6
191.05632	5.2
208.06129	2.6
209.04576	21.3
266.53064	1.4
271.02527	2.4
283.16568	1.4
300.02615	9.5
301.03180	9.5
302.03345	8.5
423.12909	2.0
537.28967	6.5
597.18866	47.1
599.10065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
61.98827	2.3
68.88883	1.1
71.01381	8.9
73.02929	2.8
85.02948	2.5
89.02457	1.6
96.96010	17.5
99.00909	2.1
101.02451	4.9
101.03120	1.2
103.91269	1.3
111.22160	1.3
113.02437	5.4
130.24286	1.6
135.62546	1.2
147.04509	6.0
147.62227	1.3
149.02429	32.1
161.02544	1.1
161.04584	1.8
164.04799	94.8
173.04474	1.2
179.07083	11.0
190.02711	13.6
191.05644	1.9
205.05083	19.9
207.30040	1.2
208.04019	1.3
223.06122	100.0
284.35370	1.2
597.18488	33.2
597.29193	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
71.01384	5.4
72.99307	1.2
73.02932	1.8
87.00874	14.2
89.02441	1.5
93.03475	2.6
99.00845	2.1
101.02436	2.6
111.00883	9.0
111.04497	1.7
115.04047	1.3
116.92867	1.7
119.03474	1.3
122.03764	1.4
122.59376	1.3
123.00847	2.9
127.04037	2.4
142.99896	1.6
149.02374	1.8
150.02103	1.9
150.03223	29.4
151.03993	5.4
155.03577	2.0
164.04776	5.9
165.05571	74.4
166.02684	1.7
171.45120	1.5
173.04552	2.1
179.07153	2.0
180.04297	7.0
181.05060	5.1
191.05714	8.2
191.07147	2.3
194.05804	2.3
195.06625	14.5
199.02454	1.9
206.05821	1.3
207.06592	1.5
209.08163	5.1
216.05132	5.6
217.05421	2.5
234.05228	1.6
249.04181	1.4
261.03812	1.6
262.04883	2.3
264.06406	6.3
273.19333	1.4
276.06357	4.8
277.07230	8.2
291.08768	1.2
301.43506	1.8
314.13181	1.3
337.09280	4.8
413.12219	2.3
461.14456	2.5
579.17163	13.4
582.20300	1.3
597.18390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1837
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
59.01376	2.1
71.01384	5.4
72.99307	1.2
73.02932	1.8
87.00874	14.2
89.02441	1.5
93.03475	2.6
99.00845	2.1
101.02436	2.6
111.00883	9.0
111.04497	1.7
115.04047	1.3
116.92867	1.7
119.03474	1.3
122.03764	1.4
122.59376	1.3
123.00847	2.9
127.04037	2.4
142.99896	1.6
149.02374	1.8
150.02103	1.9
150.03223	29.4
151.03993	5.4
155.03577	2.0
164.04776	5.9
165.05571	74.4
166.02684	1.7
171.45120	1.5
173.04552	2.1
179.07153	2.0
180.04297	7.0
181.05060	5.1
191.05714	8.2
191.07147	2.3
194.05804	2.3
195.06625	14.5
199.02454	1.9
206.05821	1.3
207.06592	1.5
209.08163	5.1
216.05132	5.6
217.05421	2.5
234.05228	1.6
249.04181	1.4
261.03812	1.6
262.04883	2.3
264.06406	6.3
273.19333	1.4
276.06357	4.8
277.07230	8.2
291.08768	1.2
301.43506	1.8
314.13181	1.3
337.09280	4.8
413.12219	2.3
461.14456	2.5
579.17163	13.4
582.20300	1.3
597.18390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1834
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
59.01395	3.0
59.62439	0.7
60.99316	1.4
65.65900	0.7
67.01885	4.9
71.01368	2.1
74.37825	0.9
83.05010	0.8
85.02953	1.1
86.20695	0.8
87.00869	15.7
91.43185	0.8
93.03451	53.9
97.02928	1.7
99.00837	1.1
111.04494	11.3
114.44786	0.9
115.03983	5.6
115.43083	0.8
119.05034	17.9
129.01985	2.3
145.02878	1.5
155.03494	4.7
156.50369	0.9
163.04027	33.0
173.04544	22.3
173.08180	1.5
191.05623	73.8
223.24432	0.9
225.16518	0.8
371.27768	0.8
444.52551	0.9
472.58310	0.9
499.14938	1.2
538.50024	1.0
539.12482	1.0
548.74872	1.1
597.18286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1838
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
52.66539	1.0
55.60649	0.9
59.01385	1.4
71.01358	1.5
76.37374	1.0
78.98843	0.9
85.02940	2.4
86.05611	1.0
87.00864	12.1
90.48011	1.3
93.03459	2.9
97.02928	1.3
99.00859	1.4
111.00877	17.1
111.04490	1.5
119.04993	5.1
127.03995	2.0
137.02441	1.7
149.02434	1.8
150.03227	24.3
151.04057	4.6
155.03412	2.0
163.03992	8.7
164.04773	5.1
165.05554	60.3
173.04550	2.8
179.07170	2.1
180.04247	4.5
181.05090	2.4
191.05597	7.0
191.07100	1.5
195.06619	9.5
199.02565	2.0
205.04951	2.0
209.08154	4.3
214.68108	1.1
217.03444	2.7
217.08696	5.8
234.05333	1.3
259.13303	1.2
264.06430	11.5
265.07236	8.1
337.09198	4.6
407.41968	1.2
413.12512	6.5
461.14667	7.0
513.18036	1.5
551.23053	1.5
579.17249	5.4
597.18347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.5
68.81854	1.4
73.18093	1.6
75.32574	1.5
77.92141	1.6
85.63155	1.4
85.82490	2.0
97.08555	1.6
122.03704	1.8
123.04557	2.7
126.45849	1.8
134.03798	2.4
146.03749	3.4
149.02458	3.9
149.06122	1.8
150.03220	61.8
151.03970	21.6
160.01634	1.8
161.02382	2.4
161.06061	1.8
164.04811	14.7
165.05562	75.6
175.04050	1.9
179.07201	12.8
180.04276	8.0
181.05066	10.7
182.43518	1.6
183.81270	1.9
192.04257	3.3
194.05997	2.1
195.06638	6.6
203.88210	1.7
206.05901	2.6
247.16367	1.6
295.09851	7.6
296.06943	3.4
297.07687	6.4
311.09268	4.0
311.38681	1.9
312.10132	2.7
324.06354	8.7
337.07236	8.4
339.08792	3.0
341.06485	2.8
351.08994	1.7
353.06757	16.0
354.07510	3.3
355.08191	15.6
356.09097	12.3
368.09042	9.1
369.10156	5.8
370.10699	7.6
371.11273	8.4
383.11383	13.6
399.10849	2.1
401.12222	3.4
460.15573	3.4
549.17767	3.9
579.19244	2.9
597.19885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.5
65.92126	1.5
67.55480	1.6
85.37666	1.7
101.02400	2.0
123.00874	11.8
138.03223	72.9
145.03061	2.4
149.02461	3.8
150.03212	51.9
151.04039	2.9
153.05574	72.4
162.03197	14.8
163.04039	2.0
164.04787	2.8
165.05571	61.6
172.55464	2.4
175.03941	3.9
176.04726	2.4
177.05498	14.5
180.04318	8.7
190.06364	7.3
190.68822	2.1
191.03558	3.3
193.05084	3.6
195.06607	8.0
202.02744	14.8
203.03444	7.3
209.08421	2.2
217.05046	50.5
222.05290	2.7
351.08771	2.8
352.05698	2.1
355.08173	3.1
367.08383	10.4
371.11172	2.3
381.09421	2.7
404.61349	2.0
419.13541	2.7
470.50677	2.0
499.13068	2.2
567.18567	70.2
579.18762	100.0
597.19806	8.5
597.29224	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63270	1.2
52.97820	1.5
55.28190	1.5
78.95898	2.2
79.47749	1.3
81.25872	1.5
98.34245	1.3
101.36099	1.5
121.03024	1.8
122.03714	6.4
130.99542	1.4
147.04576	1.9
149.02425	15.6
150.03221	83.0
151.04076	1.9
162.06866	2.2
164.04794	6.6
165.05553	100.0
180.04277	9.7
191.03485	3.1
195.06624	34.8
205.25587	1.5
206.05830	2.6
238.04771	2.4
260.88034	1.6
279.06622	2.1
293.04630	1.4
295.09787	11.1
296.07080	2.9
296.10623	7.4
297.07632	9.7
309.07642	2.7
311.09256	2.9
312.09888	5.7
324.06180	2.6
327.12341	1.9
337.07166	20.8
338.08078	2.0
339.08710	3.2
341.06482	3.1
352.09372	3.1
353.06628	21.4
353.10504	2.0
355.08212	6.0
356.09055	7.1
368.09134	2.9
370.10455	3.2
371.11432	20.2
383.11349	43.1
431.15115	3.1
440.53970	1.5
519.16650	5.4
523.20245	1.8
549.17743	34.3
553.20746	6.8
567.18701	9.0
579.18732	2.3
597.19653	43.6
605.55811	1.7
621.76794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27104	1.5
55.20428	1.2
56.06938	1.0
56.65590	1.1
62.83181	1.1
72.88589	1.2
78.61423	1.2
122.03724	3.1
133.02942	1.5
134.03751	5.5
149.02438	8.6
150.03227	83.5
151.03996	1.4
156.21556	1.6
165.05559	100.0
180.04318	12.6
187.40164	1.5
193.05058	8.2
195.06656	34.3
206.05919	1.9
238.04774	2.1
274.37643	1.5
297.07629	9.6
309.07635	2.1
312.10110	2.9
323.05402	2.6
324.06317	2.4
337.07104	20.7
338.08224	1.9
341.06644	5.9
352.09714	2.3
353.06677	21.6
356.08972	7.3
368.08817	1.8
371.11417	24.2
378.89511	1.5
383.11459	44.5
398.98715	1.6
532.70404	1.5
553.20862	2.7
567.18732	6.0
597.19592	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44645	0.2
56.79131	0.2
59.01360	0.4
60.49036	0.2
71.01358	0.3
72.99313	0.4
85.02953	3.0
87.00874	2.7
88.12936	0.3
89.35425	0.3
92.23090	0.4
93.03462	0.7
98.98194	0.3
100.95110	0.3
101.27258	0.3
111.04504	0.5
111.29387	0.3
124.32912	0.3
126.38496	0.3
127.04019	0.6
133.01448	2.5
153.94714	0.3
158.83684	0.3
159.79866	0.3
173.04506	0.4
191.05618	100.0
214.26108	0.3
237.06189	1.3
254.16725	0.3
272.80859	0.3
366.49255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31440	0.3
60.63268	0.3
62.83066	0.3
64.72839	0.3
71.01375	7.4
72.99309	1.7
87.00907	0.5
89.02432	1.7
110.88909	0.3
115.00365	37.6
133.01427	100.0
135.69756	0.3
153.62535	0.4
198.22913	0.4
224.95628	0.4
247.06863	0.4
255.06680	0.8
265.85162	0.4
360.48251	0.4
424.94583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2197
Annotation	Dendromoniliside E
Peak:m/z	Relative Intensity
54.15694	1.5
59.01379	6.6
62.41865	1.4
66.50461	1.4
74.86310	1.6
85.08114	1.7
101.02450	2.7
116.92823	1.8
117.06876	1.7
133.01402	10.7
137.74568	1.5
139.00481	1.7
139.03989	3.4
147.91376	1.6
162.01184	1.8
165.01196	1.8
166.02742	8.6
176.04887	1.7
176.30188	1.6
177.73155	1.7
181.05046	16.1
187.04015	1.9
197.04654	1.6
199.66284	1.8
205.05074	7.3
206.05800	2.4
220.07430	9.3
221.08086	2.5
282.09140	2.3
297.11288	3.8
312.06305	2.0
327.08722	22.2
339.09033	6.2
342.11099	53.1
345.13510	2.5
354.11142	2.3
357.09882	7.1
357.13513	69.8
372.12128	31.2
375.14270	2.6
387.14520	36.9
405.15631	15.9
417.15677	4.1
432.82196	2.2
435.16626	100.0
468.19363	2.0
597.21533	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.2
87.84568	0.8
92.15137	0.8
97.70060	0.8
121.02931	0.8
127.56381	0.8
138.22058	0.7
146.03731	4.8
149.02396	11.6
150.03210	16.5
161.06050	3.5
164.04805	16.2
165.05556	56.7
179.07127	15.3
180.04240	1.5
195.06628	22.5
216.77702	0.8
254.00909	0.8
280.07458	1.7
297.07712	1.2
312.10074	39.9
327.12381	93.2
343.55228	0.7
375.14502	100.0
540.21631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08982	0.9
56.26544	1.0
59.01388	1.4
59.15140	1.1
61.47092	1.0
66.56021	1.1
78.21826	1.3
87.96703	1.1
91.12984	1.2
97.45958	1.2
122.03735	10.1
137.02443	2.2
146.03752	17.6
147.55878	1.2
161.06122	12.8
164.04790	19.2
165.05554	2.7
176.04807	7.3
179.07150	100.0
180.04301	12.5
180.48131	1.3
190.06358	2.1
191.07153	35.9
195.06644	48.5
195.08350	2.6
207.06647	2.8
208.13173	1.2
297.11359	2.0
307.76047	1.5
327.12524	5.6
345.13513	7.1
360.12280	1.8
375.14551	79.0
380.80453	1.2
421.70859	1.4
537.19995	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31828	1.7
50.37754	1.9
59.01378	4.6
70.27124	1.7
75.31210	1.6
104.55295	1.9
122.03748	21.1
137.05226	1.8
146.03738	19.9
146.73253	1.8
151.04005	1.9
161.06096	15.2
164.04791	20.7
165.05559	11.0
171.33215	1.9
176.04782	3.4
179.07150	75.8
179.39627	1.9
180.04344	7.3
191.07159	27.6
195.06685	29.4
207.06650	3.7
253.95206	2.1
312.10229	2.4
327.12491	9.2
345.13525	4.6
357.12103	4.5
360.12231	6.8
375.14542	100.0
394.38199	2.4
518.84326	2.3
548.00317	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.06321	0.3
63.08194	0.3
64.58129	0.3
66.60130	0.3
71.01387	0.5
73.09991	0.3
75.00877	1.9
78.91788	0.3
83.31622	0.3
90.02818	0.3
93.03452	29.9
127.72946	0.4
137.02448	100.0
170.25191	0.4
185.99776	0.4
255.16566	0.4
273.60907	0.3
282.04031	0.3
294.87717	0.4
310.16946	0.4
528.37994	0.4
575.08728	0.3
597.20807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59764	0.6
61.50577	0.5
71.01377	6.6
72.99306	1.4
95.55369	0.6
107.89050	0.6
115.00366	38.4
115.01176	1.5
124.54427	0.7
133.01431	100.0
580.11481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12014	0.5
56.80708	0.5
66.85931	0.5
71.01380	32.2
71.01776	1.0
71.31223	0.6
76.60089	0.6
114.93437	0.9
115.00365	100.0
115.04002	2.9
150.83208	0.7
154.41438	0.8
169.57692	0.6
191.05624	1.0
335.39398	0.9
342.11349	1.3
357.13495	1.4
387.14539	0.9
405.26309	0.7
435.16797	2.7
525.45447	0.7
597.23676	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06799	0.4
58.11248	0.4
59.01373	4.0
70.12489	0.4
71.01373	3.3
73.02945	0.9
79.55179	0.5
81.97063	0.5
82.29778	0.5
85.02945	2.0
88.29189	0.4
89.02455	0.8
99.00868	0.9
101.02430	3.9
113.02448	2.2
117.03462	6.0
119.05013	1.7
134.03738	91.5
138.26401	0.5
145.02968	0.7
149.06081	12.3
159.30147	0.4
160.01640	7.1
161.04588	0.7
161.98322	0.5
163.04059	1.9
175.04016	15.1
178.02747	2.6
181.64302	0.5
193.05064	100.0
202.29623	0.4
289.16525	0.6
312.59793	0.5
325.39172	0.5
361.24615	0.5
380.97363	0.5
403.19632	2.7
497.09952	0.5
597.25671	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41638	0.6
52.29383	0.7
59.01369	4.0
68.52276	0.6
71.01377	3.8
73.02931	0.9
77.29145	0.7
77.91231	0.7
92.23064	0.8
100.99234	0.7
101.02438	3.6
113.02400	1.1
134.03688	0.9
135.04539	1.0
136.72849	0.8
149.02444	5.1
149.06056	1.0
150.03217	1.3
150.29349	0.8
156.21762	0.8
163.04050	3.0
164.04782	15.6
166.02771	0.9
175.00337	4.9
176.01024	1.2
176.87862	0.9
177.05518	1.1
178.06422	1.0
179.07195	3.3
183.06679	1.5
190.02736	40.4
191.03543	3.1
205.05074	92.0
208.03772	0.9
209.04491	1.7
222.05286	3.0
223.06133	13.9
238.32191	0.8
242.28461	0.8
251.05653	0.8
255.06625	8.4
262.85922	1.1
270.08902	6.4
271.09970	0.8
280.27805	0.9
295.08316	11.4
301.10849	3.7
471.60406	0.9
507.31726	0.8
537.22754	0.9
563.83423	1.0
567.24426	3.2
571.52350	1.0
597.29309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61152	0.6
57.14109	0.5
57.24684	0.6
59.01378	4.2
61.98827	4.8
71.01376	4.2
71.11331	0.7
73.02935	1.7
83.01400	1.0
85.02944	1.3
87.32967	0.8
89.02441	1.3
101.02438	5.2
113.02414	1.7
123.04540	1.0
123.52187	0.7
125.85286	0.7
147.00879	1.3
149.02444	4.2
163.04044	1.1
164.04800	13.2
175.00337	5.3
179.07144	1.5
190.02728	45.0
205.05072	95.1
208.03815	3.1
209.04514	1.8
223.06129	12.8
285.74130	0.7
419.26398	1.3
447.25815	0.9
465.26816	1.5
567.24548	3.8
582.26508	3.2
597.29565	100.0
612.39502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23006	0.4
71.01373	3.2
76.56643	0.6
78.98584	2.7
79.95731	3.1
80.96513	33.6
81.03424	0.9
85.02937	1.2
87.00858	1.1
89.73876	0.7
91.61627	0.7
94.98065	8.3
97.02942	1.0
101.02447	1.4
106.98104	1.4
122.97557	0.8
125.02419	3.6
134.97563	3.6
136.99132	1.4
141.90428	0.6
148.99144	4.8
152.98636	5.8
164.98645	15.5
169.33461	0.7
201.27602	0.7
206.99680	2.5
225.00787	25.2
248.14616	0.7
264.43387	0.7
291.62527	0.8
297.24368	0.8
299.04453	5.2
436.00223	0.7
597.29602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99411	0.6
54.24020	0.6
57.22591	0.6
65.43764	0.7
71.18065	0.7
78.95901	23.5
82.28604	0.7
83.60274	0.7
84.54764	0.8
96.96942	6.6
128.15630	0.7
152.99585	52.3
180.83492	0.8
220.13795	0.9
223.00058	1.2
241.01195	38.3
281.24878	95.5
315.04932	6.9
323.02786	0.8
333.14923	0.7
597.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66760	0.8
78.95898	23.5
92.23106	1.1
96.96952	7.8
98.06667	0.9
120.57350	1.0
152.99579	60.5
160.15279	0.9
223.00188	1.4
241.01205	37.1
281.24872	100.0
315.04825	7.1
354.98334	0.9
597.30524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61114	0.6
54.50672	0.5
54.74508	0.6
56.51662	0.5
56.63770	0.6
56.98367	0.5
61.46950	0.6
64.97930	0.6
65.47036	0.6
65.66463	0.6
73.21098	0.6
78.95898	24.6
83.05423	0.7
92.23017	1.0
96.96944	4.5
135.31654	0.7
152.99586	72.1
171.00684	1.5
209.19730	0.8
223.00157	8.1
241.01212	25.5
259.02255	2.5
281.24881	97.7
313.72281	0.8
315.04968	3.7
386.16571	0.7
411.69150	0.8
418.01349	0.8
523.76318	0.8
597.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13856	0.7
63.62252	0.7
78.95900	22.4
79.86176	0.7
81.44456	0.8
96.96948	7.2
143.66165	0.8
152.99588	45.6
158.70097	0.8
169.15053	0.6
219.89226	0.7
223.00241	1.6
241.01224	35.8
281.24884	93.2
315.04865	7.0
417.24283	0.8
597.30542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37865	1.4
78.95905	26.9
96.96961	3.4
108.52369	1.4
152.98299	2.4
152.99585	69.6
241.01210	25.6
281.24893	75.1
303.03778	1.4
315.04895	3.3
330.65070	1.7
446.04330	1.5
597.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96716	0.8
52.35476	0.8
65.44027	0.9
78.95898	21.3
91.33407	0.9
96.96941	4.3
152.99583	68.9
158.59425	0.9
171.00548	3.7
209.67815	1.0
211.38484	1.0
221.49347	0.9
223.00124	6.0
241.01160	22.1
259.02258	1.5
272.31900	1.3
281.24890	87.0
315.04868	5.4
322.41382	1.1
556.77106	1.2
597.30566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79140	0.5
74.71517	0.8
78.95899	25.4
78.96361	0.9
88.03513	0.8
90.75777	0.7
94.76888	0.7
96.96954	7.4
106.56506	0.7
109.23155	0.7
126.26141	0.8
152.99579	60.9
171.00650	1.1
179.94235	0.8
223.00047	3.6
241.01192	34.5
281.24872	100.0
315.04843	6.1
417.24442	1.2
597.30511	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	23.2
96.96964	6.0
100.27872	0.6
112.26032	0.6
141.23474	0.7
143.59628	0.7
152.99588	47.1
241.01207	30.2
241.03668	0.7
281.24878	88.6
315.05002	5.6
414.00394	0.8
435.24911	0.9
524.07050	0.7
528.09302	0.8
568.10199	0.8
597.30573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92364	0.4
55.62649	0.6
57.70311	0.5
59.01369	0.7
62.57981	0.4
78.95904	27.2
96.96955	4.1
103.89759	0.5
132.14288	0.6
152.99588	100.0
171.00641	2.6
241.01212	2.2
249.66609	0.5
281.24847	10.9
387.34293	0.7
435.25217	19.7
597.30542	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.4
60.06275	0.6
71.01373	8.4
72.99298	1.2
73.02943	2.6
75.00864	15.0
78.95895	1.1
85.02944	4.0
87.00880	1.5
87.56133	0.7
89.02459	7.2
99.00890	0.8
101.02438	11.4
102.72076	0.6
113.02421	6.5
119.03539	1.0
125.02406	0.9
149.04591	0.8
152.92560	0.7
161.04597	1.0
173.28694	0.6
197.04619	0.9
205.05067	0.9
273.20795	5.5
306.04224	3.8
307.04443	5.2
321.06445	1.5
322.06973	1.7
336.09012	3.4
337.09167	4.5
368.88129	0.8
417.24887	1.4
435.13144	1.2
435.25989	16.3
499.14374	2.7
553.26849	4.7
579.30334	1.4
586.28784	0.8
597.31573	100.0
610.01624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69450	3.6
56.87914	3.3
59.01381	32.5
67.44693	4.8
71.01389	17.8
73.02944	4.7
75.59613	4.0
77.28461	4.0
83.01418	4.4
85.02966	8.8
92.23092	7.3
96.68161	3.5
101.02451	22.2
113.02454	7.1
118.95277	4.1
151.88341	4.0
185.95026	4.8
224.15256	4.1
537.29291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16000	0.4
58.45982	0.4
59.01382	7.1
64.32763	0.4
71.01383	8.4
72.99319	0.6
73.02943	3.3
75.95776	0.4
76.81616	0.5
78.95881	0.5
81.41566	0.5
83.01382	1.2
84.97186	0.4
85.02947	6.5
87.00824	0.5
89.02430	3.8
92.23091	0.7
98.76117	0.5
99.00868	1.0
101.02444	11.0
111.00902	0.8
113.02450	5.0
119.03523	0.6
126.88532	0.6
131.03505	0.7
151.04024	0.7
159.02960	0.6
161.04599	2.2
164.04793	1.0
189.53297	0.6
190.02756	4.7
191.05627	2.0
195.44624	0.5
197.04584	0.7
205.05084	9.7
223.06142	1.1
257.21295	2.4
285.20718	0.7
303.21854	2.3
394.63351	0.6
419.26544	4.0
447.26163	4.1
465.27087	7.0
579.30469	5.2
597.31396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27686	0.6
59.01101	1.2
59.01382	28.6
71.01375	21.5
73.02940	7.8
81.15549	0.7
81.50530	0.8
83.01388	5.0
85.02940	13.2
87.00854	1.3
89.02435	4.5
99.00870	4.1
101.02442	23.1
111.00888	3.2
113.02448	13.7
119.03460	1.2
129.01938	1.4
144.57703	0.7
155.78575	0.7
159.02943	1.4
161.04536	5.6
176.06401	0.7
220.07454	1.0
245.50352	0.8
342.11197	0.8
357.13458	1.5
375.23782	1.6
417.21384	1.4
435.16617	3.5
458.36060	0.8
537.29211	100.0
597.28058	7.0
621.67993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3289
Annotation	Cyl-2
Peak:m/z	Relative Intensity
50.50905	2.1
59.01389	2.5
62.06436	2.3
68.83254	2.2
72.99303	63.8
90.67731	2.5
123.04508	9.2
135.04532	22.9
135.18463	3.1
147.72456	2.9
151.03955	5.1
177.05653	2.5
179.03499	76.5
197.04567	92.4
212.11977	3.2
221.04655	4.1
255.23383	4.4
259.27243	2.5
266.50522	2.7
269.64880	2.6
341.08783	34.6
359.09909	6.0
373.10129	2.6
418.05188	2.8
449.80609	3.0
525.97565	2.8
573.88434	2.7
597.32886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.75611	0.7
78.50891	0.9
158.13849	0.8
247.77310	1.0
264.16614	0.7
510.12558	0.8
537.30835	3.2
597.33167	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62256	1.1
57.97555	1.3
59.01383	100.0
68.08923	1.2
71.01386	13.4
73.02948	9.6
83.01393	1.7
89.02444	1.6
89.66692	1.3
92.22476	1.4
101.02467	2.2
113.02436	2.9
134.36885	1.5
137.98337	1.4
139.07623	1.5
149.19405	1.5
177.01651	1.5
181.41650	1.4
255.21165	2.0
263.23816	2.1
273.22290	9.6
277.21750	88.4
280.09109	1.5
291.23343	50.3
301.21841	6.5
319.22827	34.1
331.22919	2.7
349.23883	1.7
351.75769	1.5
356.33850	1.5
359.71619	1.9
379.23972	1.5
438.86066	1.9
597.33362	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.9
59.57499	1.1
60.71180	1.3
68.51120	1.7
70.96509	1.3
71.01379	3.5
72.99303	2.3
74.23994	1.4
75.77556	1.5
77.40133	1.5
113.02436	1.9
120.52579	1.3
123.40940	1.6
139.04031	6.1
179.03490	1.6
197.04558	3.3
228.18297	1.5
277.21735	100.0
291.23459	1.8
389.26865	5.9
417.26608	3.2
597.32629	3.3
607.84863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62981	1.4
57.01931	1.5
59.01387	3.4
66.12379	1.5
71.01376	3.0
72.99308	1.7
90.80165	1.7
102.40437	1.6
104.49599	1.6
111.04427	1.6
113.02399	1.9
135.04480	2.6
145.88213	1.8
150.93843	1.6
207.80045	2.1
275.20422	2.0
277.21756	100.0
375.25375	2.9
389.26721	3.7
417.26514	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10114	0.7
55.96956	0.8
58.35329	0.8
59.01377	1.2
59.67978	0.7
77.24178	0.7
85.02963	0.9
90.99078	0.7
92.22557	0.8
100.69063	0.8
108.49379	0.8
111.04423	0.8
113.02440	100.0
115.40182	0.9
124.80569	0.8
194.06697	0.8
218.20824	1.0
249.68434	0.8
322.58386	0.8
351.36365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3292
Annotation	Cyl-2
Peak:m/z	Relative Intensity
51.31428	1.2
58.42405	1.2
70.65683	1.3
72.99304	79.5
93.00399	1.4
93.27606	1.3
107.05108	1.3
116.28226	1.4
116.92783	1.9
123.04510	22.8
126.41986	1.3
135.04526	38.3
179.03516	74.5
197.04565	98.3
365.76007	1.7
376.47449	1.4
397.56644	1.5
597.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52848	1.1
59.01371	5.0
67.53045	1.0
79.27901	1.2
103.34219	1.2
129.00940	1.0
165.12843	1.4
224.67200	1.2
293.21255	4.5
294.21631	1.6
295.22787	100.0
461.92352	1.3
513.10944	1.1
561.96173	1.4
567.25421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09464	0.2
64.69602	0.2
64.77024	0.2
65.17705	0.2
74.66821	0.2
79.95741	1.2
91.19537	0.3
96.96001	100.0
104.26308	0.2
115.35078	0.2
146.87733	0.3
239.21185	0.4
338.10349	0.3
454.44794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31489	0.8
61.98840	1.2
71.05014	1.0
78.71525	1.1
85.02943	1.4
87.93262	0.9
90.46731	1.1
101.02392	1.2
115.03988	5.5
164.04790	1.9
190.02708	4.1
191.03072	5.2
196.65117	1.0
205.05006	9.0
206.05460	9.7
207.05598	2.0
208.05887	1.3
220.46809	1.2
294.07822	2.0
308.05664	100.0
322.07291	2.4
323.07999	62.7
338.10367	70.6
444.10913	1.1
500.15811	8.5
598.19250	43.6
598.28815	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88345	0.5
63.40942	0.6
100.77931	0.6
245.46735	0.7
261.84964	0.6
294.07764	1.3
308.05682	100.0
322.07120	1.4
323.08041	49.7
338.10385	94.0
427.96475	0.6
500.15631	3.0
598.18347	5.2
598.27588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.82103	0.7
113.02433	1.7
113.79257	0.7
119.39164	0.8
141.27834	0.8
211.55074	0.7
298.25461	0.9
314.88486	0.8
319.10797	0.7
335.28720	0.8
398.37692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59689	0.9
55.80191	0.9
59.01371	7.4
61.82421	1.0
67.76593	1.1
71.01377	2.1
73.02945	1.5
81.03456	1.5
85.02938	2.2
85.11761	0.9
101.02442	2.0
109.06577	1.5
109.59378	1.0
110.09748	11.9
128.10783	1.9
130.08734	87.0
135.08258	1.5
143.92332	1.4
154.08751	16.3
156.06718	1.7
161.06104	1.4
172.09804	2.4
177.09367	1.4
218.15498	1.4
246.18752	9.1
290.17621	6.3
334.16748	11.2
398.05130	1.3
598.28821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86367	0.5
61.98841	0.6
64.56864	0.5
78.32159	0.6
139.11272	1.0
152.10788	0.8
167.14462	7.4
170.11922	5.1
183.55904	0.7
184.17102	0.8
198.15001	5.5
200.12946	4.3
210.15068	2.8
211.13400	18.5
214.14499	6.3
217.48454	0.7
223.14787	0.8
228.16049	100.0
229.14474	10.3
267.25018	0.7
373.24368	0.7
399.28717	7.7
419.79779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48487	0.3
59.45347	0.4
71.01377	0.4
71.75722	0.4
82.41169	0.4
96.96949	0.5
108.02152	2.8
109.02940	0.8
151.02611	100.0
152.01170	3.4
153.01909	1.6
159.25916	0.4
168.23401	0.5
173.04585	0.5
259.97916	0.5
283.06863	53.8
315.07199	4.3
345.46204	0.4
354.60236	0.4
532.95801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1567
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
55.01892	5.5
59.01381	8.7
59.25506	1.2
62.78876	1.4
78.32752	1.4
78.82218	1.7
81.03465	2.7
83.01388	2.7
85.02946	8.6
87.00867	7.7
99.04514	9.3
100.41287	1.7
101.71122	1.6
111.00889	17.7
113.02420	13.1
119.07484	1.7
123.04528	6.3
125.02422	22.6
141.01999	3.5
141.09402	1.6
143.03554	3.3
167.03552	12.9
171.04535	3.8
185.04573	38.2
227.06978	1.7
253.05173	5.3
259.11029	1.8
281.04413	6.5
294.05521	2.3
313.12299	3.1
341.11765	9.8
357.11377	33.8
359.12961	15.4
369.11417	11.1
385.10837	63.9
387.12512	5.5
411.12003	1.8
413.10376	62.0
511.13693	2.1
581.14545	2.0
599.15747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06931	0.4
54.31404	0.4
59.01385	0.5
63.14699	0.3
64.41290	0.3
67.33379	0.3
68.06358	0.4
71.01380	2.9
85.02995	0.5
87.50285	0.4
93.03444	19.2
101.02441	2.1
110.24689	0.4
113.02436	2.1
113.03582	0.4
114.01959	0.6
131.04594	0.5
137.02444	100.0
161.04544	0.6
211.03674	0.6
247.05754	0.6
299.07745	27.0
322.56210	0.5
332.95026	0.5
349.19394	0.4
420.02740	0.5
441.16266	2.4
522.80054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26794	0.4
73.02889	0.6
92.23093	0.9
111.91223	0.4
120.86665	0.4
142.66388	0.5
155.23233	0.5
195.51729	0.6
355.63339	0.6
376.03107	0.5
468.10364	0.7
473.18307	0.9
481.14844	0.8
482.15866	1.0
483.13129	3.1
497.14597	2.1
511.12762	9.8
512.13525	1.9
525.14520	1.9
526.15009	100.0
599.17969	77.8
599.28113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1909
Annotation	(rel)-1beta,2alpha-di-(2,4-dihydroxy-6-methoxybenzoyl)-3beta,4alpha-di-(4-methoxyphenyl)-cyclobutane
Peak:m/z	Relative Intensity
50.41022	9.1
51.16593	7.4
53.07406	6.5
53.42671	7.5
58.23366	7.6
59.34120	7.7
60.08402	6.4
68.90858	7.0
69.85326	7.6
70.59567	8.7
78.55418	7.7
83.34431	9.2
89.02455	9.9
92.23126	8.4
94.82327	8.5
115.91436	9.3
148.46483	8.0
179.03387	10.7
179.75388	8.8
197.04626	8.8
301.33792	8.3
599.18738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27805	3.0
57.79219	3.7
66.67236	3.7
78.83356	3.4
92.76081	4.1
97.45868	3.5
121.64182	4.1
123.04547	5.1
171.10297	3.8
171.80807	3.6
184.26207	3.5
305.26648	4.1
309.05615	4.3
328.53659	4.1
599.18695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39159	0.6
59.81170	0.7
63.83463	0.7
66.00414	0.7
73.45218	0.6
78.95916	0.9
79.95734	1.1
82.31730	0.6
95.50787	0.7
96.96007	100.0
106.09271	0.8
173.04610	0.8
212.23782	0.7
224.22791	0.7
248.37811	0.8
305.00189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39159	0.6
59.81170	0.7
63.83463	0.7
66.00414	0.7
73.45218	0.6
78.95916	0.9
79.95734	1.1
82.31730	0.6
95.50787	0.7
96.96007	100.0
106.09271	0.8
173.04610	0.8
212.23782	0.7
224.22791	0.7
248.37811	0.8
305.00189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30453	1.2
59.01373	2.5
61.96601	1.4
95.61332	1.7
122.03680	3.5
125.02700	1.3
130.08734	1.3
134.03719	2.3
146.03731	5.5
149.02428	6.6
149.06055	6.7
150.03223	65.9
151.04054	12.2
161.02415	6.6
161.06082	2.8
164.04776	9.6
165.05560	86.4
165.06975	3.1
165.10078	1.5
179.07126	18.5
180.04277	9.2
181.05101	2.8
184.92267	1.6
195.06609	14.9
299.09210	2.4
313.10861	9.5
325.10788	2.7
326.11475	2.0
327.12283	2.4
339.08768	2.4
341.10226	9.3
355.08292	10.5
356.08905	9.4
357.09631	2.3
358.10580	25.3
359.11255	2.1
369.09763	2.9
370.10587	19.7
371.11261	7.6
373.12900	31.9
385.12973	14.1
401.12286	6.1
402.13303	1.9
427.14001	1.9
461.16104	8.5
503.54712	1.8
521.17352	2.0
551.19067	10.4
581.20367	2.6
599.21344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66806	1.0
59.01371	2.4
76.65102	1.0
80.85455	1.4
86.48889	1.3
133.02913	1.2
134.03752	1.2
135.71053	1.2
146.03722	2.6
149.02415	6.8
150.03217	64.1
151.03966	9.0
152.51036	1.2
161.02412	4.4
164.04829	9.9
165.05563	100.0
179.07141	14.1
180.04271	10.0
181.05017	2.8
195.06659	17.5
267.90607	1.4
279.06516	1.5
299.09198	5.4
311.09238	2.5
313.10858	1.7
314.11768	2.3
320.06918	1.6
325.10928	2.4
326.07913	1.4
326.11594	1.7
338.08151	1.2
340.49210	1.1
341.10153	4.3
343.18900	1.5
355.08331	10.5
356.08984	2.2
358.10687	21.7
370.10544	15.4
371.11279	5.6
373.12939	22.7
385.12875	12.6
401.12427	5.2
403.13828	2.7
435.32108	1.3
539.29138	1.4
551.18884	1.8
581.20264	2.3
599.21393	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03424	1.1
55.97034	1.1
59.01382	100.0
61.98834	2.3
71.01379	53.1
72.99313	1.9
73.02942	2.0
75.00871	1.7
76.34382	1.4
79.40211	1.3
83.01376	1.5
85.02953	11.6
85.97363	1.2
87.00853	3.2
89.02435	71.4
95.01405	2.5
96.95983	1.5
97.02955	5.9
99.00895	2.1
101.02435	45.2
113.02464	23.6
115.04018	34.0
119.03492	26.1
123.76616	1.2
125.09747	1.5
131.03493	1.5
143.03520	6.2
148.29439	1.4
149.04532	2.4
161.04581	11.7
179.05615	32.4
200.63319	1.3
284.22638	1.5
306.09100	1.6
349.22104	32.1
381.13580	2.0
501.17737	76.4
511.27530	1.9
599.29327	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
71.01377	3.5
73.02947	20.0
74.62833	0.6
81.03474	1.1
83.05032	6.0
85.02957	3.5
89.02440	1.6
93.03449	44.1
99.00870	6.9
99.04516	6.2
101.02438	4.7
111.04509	24.7
111.97186	0.6
113.02431	2.6
129.01945	3.5
137.02448	17.3
143.03497	4.1
155.03502	15.4
161.04576	0.8
173.04549	100.0
179.83533	0.8
185.34306	0.7
226.50995	0.6
263.11533	0.8
268.84473	0.7
413.50055	0.7
425.16727	20.2
599.21863	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33406	0.8
59.01382	53.4
60.11258	1.1
71.01377	36.0
73.02932	2.6
82.86741	0.9
85.02964	5.6
89.02435	39.3
93.80585	1.0
95.01388	1.6
97.02935	1.1
99.00880	2.3
99.04498	2.1
101.02441	30.9
113.02438	24.3
116.04998	1.3
116.92854	9.6
119.03500	15.7
122.10803	1.0
128.78683	1.2
131.03468	1.7
143.03548	1.4
150.99380	1.2
161.04588	8.2
179.05608	4.2
181.04985	1.2
203.08258	5.5
224.25432	1.0
263.11404	1.8
324.85742	1.2
361.49310	1.3
395.15555	10.9
441.16187	100.0
478.26639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33110	1.6
59.01103	3.6
59.01384	100.0
59.11327	1.6
71.01386	13.5
73.02943	3.6
85.02924	3.2
85.40438	1.6
89.02436	11.3
91.85309	1.9
96.96008	14.5
101.02428	9.6
113.02424	4.4
135.48784	1.8
161.13376	13.8
171.00568	2.0
187.11270	27.3
205.12323	24.1
263.11353	14.9
267.12384	3.4
412.19565	2.0
451.23358	19.1
495.22653	16.6
513.23596	3.0
555.24347	52.7
599.23779	10.5
604.72394	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.34198	1.9
67.07054	2.0
71.01379	55.5
73.79711	1.9
83.50399	2.0
85.02949	9.7
87.00864	2.7
89.02436	98.9
101.02434	38.0
111.01542	1.9
113.02438	29.6
116.92869	3.5
119.03493	44.7
126.27582	2.0
126.72503	1.9
135.04541	8.4
137.20126	2.0
143.03510	4.9
161.02425	3.4
161.04558	12.3
163.04041	4.0
173.04539	3.0
179.03523	13.1
179.05620	82.6
190.10387	2.1
191.05594	30.4
265.34644	2.2
273.03033	2.6
300.02441	3.3
301.03198	8.8
302.03326	12.9
303.03464	3.2
304.04077	2.9
332.61234	2.8
425.79010	2.5
456.90527	2.7
589.21844	2.4
599.14099	15.3
599.21564	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44971	0.9
52.85990	1.0
53.90191	1.0
59.01384	38.8
73.39890	1.2
122.03709	1.6
127.48158	1.5
146.03804	1.7
149.02403	9.9
150.03250	6.9
164.04810	15.2
165.05562	24.4
178.79651	1.1
179.07137	5.4
180.07474	5.2
191.07236	2.2
194.89450	1.5
195.06670	11.1
196.06883	1.5
201.37082	1.2
230.06430	1.1
237.06389	1.0
238.55577	1.0
314.11700	34.2
329.13953	89.8
375.14273	2.1
376.14554	1.6
377.16083	100.0
525.38336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36372	1.7
59.01383	55.8
61.88164	1.9
86.57522	2.5
91.22815	2.3
121.02909	2.2
132.21361	2.2
149.02460	2.7
150.03246	20.5
153.75529	2.1
164.04776	3.2
165.05568	100.0
176.61269	2.2
181.04832	2.2
184.48459	2.5
195.06635	45.8
275.69464	2.1
314.11682	10.5
329.14001	28.3
342.35309	2.0
367.42737	2.5
377.16116	92.0
399.37540	2.4
498.01852	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27196	2.0
59.01106	4.5
59.01385	100.0
63.43688	1.7
66.43116	1.8
71.01377	3.0
76.67716	1.9
85.02970	2.3
89.02413	3.1
96.86019	2.4
101.02450	9.2
106.52231	2.6
143.36304	2.2
150.03201	2.7
161.13370	14.6
165.05553	2.8
187.11308	26.6
189.09131	2.3
193.05235	2.6
205.12346	20.9
221.66585	2.2
253.13315	7.0
257.12863	4.0
263.11435	13.6
317.75421	2.6
451.23550	30.6
495.22006	10.4
539.28912	3.4
555.24475	62.3
599.25470	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03400	1.3
59.01385	100.0
64.09888	1.5
67.76056	1.5
71.01386	9.7
73.02957	2.4
80.18755	1.5
89.02454	7.3
96.96001	3.6
101.02440	10.5
113.02443	2.3
119.03464	2.0
119.38330	1.7
161.04503	2.4
161.09720	1.7
161.13316	12.3
187.11322	20.5
196.35684	1.8
205.12357	24.5
210.98291	1.6
263.11359	6.8
267.12460	2.3
335.22253	7.9
390.85135	1.7
451.23462	21.5
495.22427	9.2
513.23486	3.4
555.24561	81.6
559.14319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49825	0.4
58.92590	0.5
59.01381	18.5
71.01379	17.5
73.02941	6.5
83.01398	1.3
85.02947	6.1
87.86818	0.6
89.02444	19.6
89.02967	1.1
95.01390	0.8
96.24317	0.6
97.15372	0.6
99.00877	8.5
101.02443	26.2
113.02454	14.1
116.05022	0.9
119.03494	7.6
125.02499	0.9
125.06159	0.6
131.03502	0.8
139.16675	0.6
143.03487	2.3
159.02995	2.4
161.04559	13.6
179.05685	0.7
191.05566	1.4
203.08304	2.9
239.31142	0.6
263.11377	11.4
395.15628	100.0
441.16095	5.1
574.70947	0.7
602.26471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
62.65084	1.4
67.69454	1.7
94.60703	1.5
96.95968	1.6
123.28245	1.6
149.02440	42.8
150.03116	2.5
164.04814	19.7
165.05585	2.2
175.60019	1.7
179.07097	1.8
276.22101	1.8
283.63092	2.2
299.12881	2.5
325.10889	4.0
327.12387	17.7
328.13190	38.0
329.10245	9.4
341.10281	16.1
343.11807	2.7
343.15646	8.9
344.12619	28.2
356.12604	7.6
359.14948	25.2
368.70361	2.1
371.15033	14.6
461.16321	7.5
463.17691	4.4
483.16577	2.5
492.17883	3.3
507.20532	10.2
537.21362	100.0
567.22559	2.5
599.24725	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07010	0.6
52.39322	0.6
59.01370	1.8
71.01381	3.1
73.02927	0.9
85.02938	1.4
99.00857	0.9
99.05264	0.8
101.02415	4.9
102.97523	0.8
113.02416	1.4
117.03431	4.4
134.03737	84.8
139.92677	0.7
149.06067	15.3
152.25484	0.7
159.02904	0.7
160.01622	7.4
161.04578	1.2
175.04005	12.1
178.02678	1.8
191.05640	1.3
193.05069	100.0
405.21057	1.1
599.27100	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.7
59.01382	100.0
61.43388	0.6
62.54857	0.6
70.34396	0.6
71.01386	7.1
73.02953	3.5
75.41219	0.5
79.59015	0.6
83.01399	1.1
85.02941	3.8
85.05040	0.7
85.51842	0.7
89.02444	3.1
89.64858	0.8
101.02438	8.0
108.93613	0.6
111.00884	0.7
113.02430	2.6
115.36525	0.6
134.03723	3.1
151.03967	1.0
158.30348	0.7
161.04591	3.1
171.72728	0.7
187.11288	0.8
193.05055	1.2
232.74130	0.7
232.76468	0.7
335.22629	0.8
352.70862	0.7
479.20242	1.1
479.26559	18.3
479.32904	1.2
491.33099	0.9
497.27600	6.3
539.28662	47.3
583.56970	0.8
599.30896	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17971	1.1
51.34724	1.2
58.00597	1.5
59.01385	100.0
71.01380	8.0
73.02944	6.5
75.63593	1.2
85.02948	6.4
99.00886	2.1
100.35849	1.4
101.02432	8.9
106.80618	1.3
113.02441	5.9
125.05917	1.5
150.03238	7.9
151.03813	2.2
161.04510	2.7
165.05521	12.5
166.05888	1.9
186.19093	1.6
195.06633	1.5
195.08336	1.3
198.48880	1.6
335.22153	1.5
373.12839	2.8
455.78635	1.5
479.26678	15.6
497.27625	9.1
513.27148	1.7
539.28772	47.2
555.24707	2.1
599.21619	11.6
599.30676	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
71.20554	0.5
93.03452	26.1
108.10340	0.5
137.02448	100.0
199.13451	0.6
200.13972	0.6
367.52121	0.6
476.21304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43577	0.3
59.01377	1.6
62.87895	0.3
71.01358	0.4
71.36367	0.4
71.79740	0.4
78.70835	0.4
82.02199	0.4
89.02399	0.3
93.03445	23.9
93.32362	0.3
100.17959	0.3
102.61478	0.4
137.02441	100.0
145.02997	0.4
146.42067	0.4
466.49866	0.5
495.26248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3218
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
50.81649	1.1
53.37890	1.1
58.71371	1.1
70.00690	1.2
78.95900	22.4
80.48976	1.3
82.95438	1.7
96.96957	7.7
127.49319	1.4
152.99597	49.7
190.09097	1.4
199.13589	1.5
227.68529	1.5
241.01199	34.5
283.26447	84.9
298.36725	1.6
303.23267	1.8
315.05020	5.7
387.99420	1.5
599.32098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19285	0.6
51.24386	0.9
55.37861	0.7
75.50264	0.8
78.95902	21.4
85.54613	0.8
96.96976	5.8
129.69910	0.9
152.99580	57.0
166.22392	0.9
170.27647	0.8
223.00214	1.1
239.79826	0.9
241.01201	30.8
280.43512	0.9
283.26443	93.2
315.04965	7.0
343.08838	0.9
559.27057	1.0
599.32135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3221
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
50.20237	0.7
62.10246	0.7
78.95905	21.1
91.01891	3.8
91.04601	0.8
96.96980	5.3
97.22629	0.8
113.02451	0.9
134.70029	0.7
152.99586	51.9
169.06544	1.4
191.79312	0.9
223.00067	1.7
239.07182	12.4
241.01219	31.9
253.09113	0.9
257.08209	1.2
279.23398	6.5
283.09683	1.1
283.26462	95.8
296.43341	0.8
303.23376	1.9
315.05038	8.2
419.25595	1.0
489.23764	0.8
543.56543	0.9
599.32050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87006	0.5
52.15591	0.4
59.01384	16.2
70.13840	0.6
71.01372	1.4
78.07142	0.6
81.06055	0.5
97.13588	0.5
99.04531	0.7
101.02460	0.6
106.01653	0.5
113.02402	2.3
114.34394	0.5
123.04445	0.7
157.33653	0.6
277.21747	100.0
279.10870	1.0
539.32343	2.3
599.41748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81807	0.3
59.01384	8.8
61.55206	0.4
61.98831	0.4
71.01387	3.5
73.02919	0.5
81.03453	2.7
82.55786	0.4
85.02944	2.1
89.02437	0.6
92.71010	0.4
93.57294	0.5
94.22709	0.4
97.73383	0.4
99.04488	3.6
101.02438	2.4
113.02460	1.9
117.00224	0.6
120.46439	0.4
212.64143	0.5
215.44112	0.5
220.00653	0.4
228.10110	0.5
233.22829	0.8
259.20566	0.5
261.09793	0.6
277.21747	100.0
279.10895	3.1
389.69791	0.6
539.32483	4.4
596.76831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	56.5
61.98839	4.6
62.64101	2.9
63.45107	3.2
64.02697	3.2
71.01383	3.8
77.23723	3.6
83.08809	3.3
89.16527	2.9
101.02443	3.7
121.10218	7.9
121.95625	3.2
161.04543	4.4
171.10283	31.5
195.13934	7.1
223.13530	4.4
252.46111	3.9
263.11380	31.6
275.20215	42.0
293.21262	100.0
330.25742	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
59.01376	2.1
71.01381	1.8
75.00875	1.2
82.01796	0.9
111.04558	1.4
113.02470	1.9
119.03491	1.3
139.04015	2.6
150.25766	1.1
183.20869	1.0
209.22128	1.0
279.23325	100.0
377.26974	5.0
391.28830	8.2
419.28247	2.7
599.39478	4.8
623.74457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95026	2.5
54.18866	2.6
59.01103	5.4
59.01384	97.2
61.98840	6.5
67.34000	2.9
71.01380	4.9
73.02963	13.9
77.04498	3.4
82.03358	3.1
83.11272	2.7
87.84575	3.3
98.08398	3.3
239.20230	4.0
275.23892	6.6
279.23349	100.0
293.21603	5.3
293.24860	63.2
303.23196	4.1
305.17667	4.0
321.24460	40.6
352.18463	3.5
535.47400	3.9
599.39984	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00426	0.6
53.33002	0.5
59.01389	4.3
61.98853	0.6
69.98854	0.5
70.41408	0.5
71.01375	2.8
78.12675	0.6
83.36111	0.5
85.02937	1.2
88.86481	0.5
89.02448	0.8
91.91644	0.5
95.05053	0.8
101.02388	0.6
108.69070	0.6
113.02414	3.1
117.81528	0.7
120.68033	0.5
139.04030	3.9
224.77399	0.6
279.23312	100.0
281.96402	0.7
293.24734	0.9
321.24387	1.0
357.22043	0.7
377.27136	1.4
391.28674	6.1
419.28091	4.2
532.50098	0.7
554.32019	0.7
599.39539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55948	2.0
53.87236	1.6
55.21493	1.7
59.01379	36.1
71.01395	5.2
86.75460	2.0
89.02444	4.0
101.02443	2.9
116.92860	5.2
135.33829	2.3
177.69250	2.2
182.25981	2.3
183.10228	5.4
183.13885	29.0
211.13425	4.5
262.54288	2.4
263.11444	31.1
263.94250	2.3
275.20239	16.9
293.21262	100.0
299.50681	2.4
374.09531	2.4
457.13205	2.5
526.65424	2.2
539.32184	3.0
599.22656	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3598
Annotation	Phorbol 12-tiglate 13-decanoate
Peak:m/z	Relative Intensity
54.02756	0.5
55.25927	0.5
73.27045	0.7
108.02178	0.9
109.02943	12.6
119.05012	0.8
123.00860	0.7
125.56720	0.7
129.03517	1.0
137.02441	100.0
145.02950	0.7
147.04529	31.6
155.42470	0.7
173.02211	0.9
173.92902	0.7
174.03239	3.8
175.04004	42.0
191.03520	9.8
201.01930	3.4
219.03035	4.1
253.25351	4.7
255.23344	13.6
255.41997	0.7
267.06595	5.1
283.06094	1.3
283.79517	0.7
293.04715	1.3
299.25900	10.2
311.05600	11.6
342.94260	0.6
445.33301	3.0
461.32764	22.5
462.49725	0.8
471.31146	9.0
520.30377	0.8
581.34875	22.2
599.35968	68.2
623.15082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61918	0.9
58.29544	0.7
62.50711	0.8
72.79281	0.8
101.79765	0.9
137.02435	1.9
185.28175	0.8
255.23309	100.0
266.46039	0.9
599.35468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26005	0.3
66.54329	0.4
71.86083	0.4
75.79768	0.4
88.84451	0.4
91.43709	0.4
96.17795	0.4
99.63783	0.4
109.02934	2.1
125.09726	0.6
137.02438	9.1
147.04559	3.5
175.03951	5.6
191.03467	0.8
253.25381	43.8
281.24835	1.1
299.25931	100.0
311.05515	0.7
383.36765	0.7
461.32877	2.9
564.73401	0.6
581.35217	3.2
599.36145	6.1
629.81757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68185	0.8
59.01381	62.3
59.22312	0.8
60.34687	0.7
68.67643	0.8
73.18883	1.1
79.40131	0.9
88.33181	0.8
96.73558	0.9
97.90915	0.8
103.92701	0.9
122.12417	0.9
127.46397	0.8
139.06134	1.0
238.52086	0.9
239.41437	0.9
299.25940	100.0
452.45175	1.0
494.66788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00468	3.2
71.01408	3.9
71.22391	3.5
74.02463	15.5
85.23906	3.6
93.03455	4.6
97.04062	9.5
99.05622	4.8
100.00417	8.2
101.02412	4.4
105.99682	18.1
113.03522	6.1
114.00193	5.2
116.92866	27.8
117.92889	16.4
128.03537	100.0
137.02446	70.8
138.02780	25.2
143.04619	45.9
153.06723	16.5
154.05122	5.6
160.00743	5.6
169.06149	5.1
175.01840	26.9
179.04591	22.1
197.05746	15.0
200.05698	6.9
210.08887	9.0
272.08923	16.7
298.78088	4.0
299.07803	5.8
300.07999	7.6
304.06110	34.2
434.14426	33.1
438.11969	21.3
466.11264	65.9
484.12680	16.1
597.15265	4.3
600.17297	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78515	2.4
74.02459	20.1
78.94866	2.6
86.02470	4.1
93.60455	3.2
97.04095	4.9
99.05654	6.2
100.00405	14.0
102.00244	3.1
105.99689	16.8
109.01695	6.8
116.92888	3.7
127.05170	2.7
128.03528	95.5
128.92015	3.0
130.08751	24.1
137.67790	2.9
140.10773	4.0
141.03081	3.3
143.04639	47.5
145.06410	3.5
153.06680	6.5
160.00751	11.0
166.05148	3.7
166.08702	4.4
169.06192	5.4
170.03287	3.3
171.04146	2.8
175.01828	25.2
179.04672	22.9
182.09299	4.1
194.09285	3.2
197.05775	6.6
200.05734	4.0
210.07532	20.7
228.08771	7.0
232.63097	2.6
246.09892	31.0
254.07693	4.8
272.08884	6.4
304.06076	25.9
322.01251	3.0
353.08942	4.0
376.08118	5.3
434.14160	17.9
438.11908	19.3
466.11429	62.7
484.12308	5.9
501.26718	4.0
600.17145	100.0
619.44086	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12074	1.1
51.46883	1.1
55.01880	3.0
59.01380	14.0
61.98840	1.7
73.02936	1.4
73.50153	1.3
84.73016	1.5
85.02943	9.7
87.00876	8.1
87.74823	1.6
108.04532	3.4
110.02500	1.7
113.02464	1.5
115.03954	2.0
125.02477	2.2
125.84255	1.5
126.05596	32.0
139.04047	1.5
143.03493	3.1
145.06534	2.1
152.03627	1.8
159.79071	1.4
164.07184	3.3
166.05093	68.6
171.04544	1.8
173.06052	6.6
180.06697	2.0
194.17821	1.9
194.66847	1.5
208.06168	23.0
226.02695	6.5
226.07231	62.9
227.03493	1.7
243.06647	26.8
267.06616	5.7
285.07684	36.0
330.09036	1.7
331.09836	12.2
373.10928	10.7
456.17194	1.7
464.14969	1.9
525.07813	1.7
526.22913	1.4
582.17725	3.0
600.18823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63391	0.3
59.01384	0.7
61.98821	0.4
62.21092	0.3
62.21529	0.3
62.31216	0.3
77.70846	0.4
93.03449	31.2
93.90701	0.3
94.03767	0.7
101.53577	0.3
118.58944	0.3
124.11547	0.4
126.12381	0.3
137.02440	100.0
138.02782	7.6
286.96872	0.4
533.46716	0.4
556.28375	0.4
559.14484	0.4
579.12305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18918	1.0
50.56187	0.9
57.93748	1.0
59.01377	2.5
61.08245	1.3
63.05499	1.0
71.01380	6.8
72.99312	6.5
75.00854	1.3
81.34502	1.1
86.35415	1.8
89.02459	5.4
93.03448	1.6
96.00896	2.6
109.01691	29.6
111.04493	1.7
113.02432	2.0
113.27430	1.5
114.01990	4.9
119.03471	1.5
121.29807	1.4
125.06081	6.3
130.08737	69.9
135.04506	9.5
140.10818	14.3
155.03505	2.1
166.08734	13.6
168.06648	2.1
169.05074	2.1
172.09799	5.5
173.04562	23.0
179.03511	17.8
184.09825	13.3
190.17949	1.5
191.05655	14.4
210.07747	69.9
210.14635	1.4
228.08800	34.3
245.06667	7.4
246.07097	5.7
246.09831	100.0
341.10895	8.3
353.08862	23.1
406.47232	1.2
457.34814	1.3
493.15622	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
106.01828	0.8
123.04486	1.5
130.54973	1.0
135.04514	21.7
141.92685	1.1
165.49570	0.9
200.98102	0.9
260.30759	1.2
282.05197	2.2
303.29712	1.2
312.12366	3.6
322.10892	4.2
340.11929	100.0
343.21555	1.0
393.30264	1.0
502.17209	15.0
600.21130	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
106.01828	0.8
123.04486	1.5
130.54973	1.0
135.04514	21.7
141.92685	1.1
165.49570	0.9
200.98102	0.9
260.30759	1.2
282.05197	2.2
303.29712	1.2
312.12366	3.6
322.10892	4.2
340.11929	100.0
343.21555	1.0
393.30264	1.0
502.17209	15.0
600.21130	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55637	0.6
107.05007	0.8
113.55583	0.8
115.03937	0.9
123.04485	1.3
127.75116	0.6
135.04526	19.2
162.03226	1.1
169.26041	0.8
239.07002	0.7
282.05154	3.4
309.07553	1.4
312.12363	3.2
322.10800	3.0
331.04739	0.7
340.11920	100.0
502.17334	14.2
600.21075	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
72.04897	0.6
74.58871	0.6
85.97092	0.7
90.26090	0.7
92.50751	0.6
96.12824	0.6
107.05049	0.6
107.96963	0.7
115.04049	1.2
123.04540	1.4
129.03801	0.7
135.04529	19.5
150.03198	1.1
161.02454	1.0
162.03209	1.0
165.05580	4.1
166.06001	0.7
183.86232	0.7
185.05220	0.6
195.06674	0.9
202.04968	0.7
241.57147	0.7
244.16232	0.7
282.05380	4.3
296.07300	0.8
299.63589	0.8
312.12402	3.7
322.10974	3.3
340.11948	100.0
370.97327	0.8
377.16220	1.5
378.16354	4.2
502.17261	13.7
521.19678	0.8
525.33734	0.8
600.20886	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
106.01828	0.8
123.04486	1.5
130.54973	1.0
135.04514	21.7
141.92685	1.1
165.49570	0.9
200.98102	0.9
260.30759	1.2
282.05197	2.2
303.29712	1.2
312.12366	3.6
322.10892	4.2
340.11929	100.0
343.21555	1.0
393.30264	1.0
502.17209	15.0
600.21130	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15537	0.6
53.50354	0.6
55.72023	0.5
58.02703	0.5
58.02963	4.9
59.01374	0.9
63.05761	0.5
69.77081	0.5
70.02974	3.1
71.01373	1.1
71.17314	0.6
89.02429	1.0
101.02432	0.8
105.13184	0.6
106.04205	0.7
107.05010	7.5
116.03535	0.8
119.04987	3.0
120.01244	0.9
163.04079	5.1
171.55020	0.8
173.74178	0.7
178.08777	11.2
180.06674	65.6
213.17186	0.7
222.07730	100.0
363.79373	0.7
395.15677	2.8
396.15884	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01876	1.2
53.33239	0.9
61.98832	6.2
71.01381	1.4
77.13926	1.0
89.23496	1.2
89.37963	1.3
89.38552	1.1
94.02977	10.8
109.01685	2.2
116.61066	1.2
124.04036	100.0
128.20868	1.1
130.08714	15.8
166.08707	1.8
191.05641	44.1
210.07727	64.4
228.08728	2.7
246.09918	10.8
266.47415	1.2
353.08871	9.5
618.95428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35710	0.3
60.54119	0.4
61.98832	100.0
86.34292	0.4
95.72302	0.5
107.55048	0.5
143.29793	0.5
177.98550	0.4
178.05029	0.5
241.07347	0.5
278.22107	0.6
321.90909	0.4
600.40204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.88407	0.4
75.00867	4.4
81.68481	0.4
164.58305	0.4
176.37849	0.4
238.84389	0.5
293.70859	0.4
317.72107	0.5
317.76373	0.4
361.46231	0.5
373.16354	0.4
449.75607	0.5
471.23270	0.4
600.40826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96526	1.8
61.98518	3.5
61.98832	100.0
72.46703	1.5
74.27470	1.6
76.87002	1.7
84.54378	1.7
113.02419	1.8
134.58780	1.6
183.51491	1.7
192.99606	2.0
229.58600	1.6
293.86084	1.9
352.04532	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53572	0.9
54.64706	0.8
61.98835	100.0
67.49007	0.8
74.04751	0.9
75.03050	1.0
75.95722	1.1
92.76941	1.1
207.48662	1.3
220.95018	1.1
354.36877	1.1
357.66315	1.2
404.06570	1.0
600.39850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16350	0.7
53.25083	0.7
59.01379	20.0
70.10737	0.7
71.54175	0.9
78.05941	0.7
78.95905	5.5
133.88396	1.1
145.22711	0.9
152.99580	2.1
168.04291	1.7
173.16783	0.8
190.47044	0.8
203.18089	1.2
208.99408	0.9
224.06961	2.0
230.74490	0.9
232.27650	1.0
242.08066	4.9
257.22867	7.3
283.09900	1.1
284.09982	1.2
301.18338	1.4
301.21738	38.5
399.70645	1.1
478.87479	1.0
526.29462	100.0
600.32648	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62596	0.8
56.89568	0.7
59.01381	19.4
59.36326	0.7
60.97438	0.9
61.98850	1.1
68.45299	0.8
70.33016	0.8
78.95901	14.2
133.51222	0.9
135.11829	1.1
141.30565	0.9
152.99622	7.0
168.04265	6.9
177.71529	0.8
196.56563	0.9
203.18150	0.9
224.06934	11.9
242.07991	3.9
257.22748	4.9
272.45984	1.0
301.21722	19.3
320.48355	0.9
339.09531	1.0
526.29425	100.0
600.33038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81387	2.0
73.43547	2.3
86.01694	1.8
103.35455	2.0
201.09320	2.5
211.92331	2.9
276.60382	2.4
292.57941	2.6
468.23099	2.5
600.39093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82280	1.0
52.93393	1.0
59.01384	6.1
64.68771	1.2
64.89073	1.2
69.42522	1.3
78.45450	1.2
145.18001	1.4
202.96838	1.2
203.18019	1.3
225.51704	1.2
229.89920	1.2
257.22809	10.5
279.23340	10.1
280.23602	10.9
301.21759	100.0
371.94800	1.4
595.39264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70116	0.5
59.01382	0.7
78.95901	39.2
80.01624	0.5
81.70330	0.5
89.02421	1.3
92.23071	0.7
96.95995	31.6
96.96950	100.0
191.05643	8.0
197.14664	0.5
259.02209	7.0
503.16089	2.2
536.69342	0.6
601.13965	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34802	0.3
59.01410	0.4
61.52764	0.4
67.92747	0.4
68.63662	0.4
78.95905	35.8
82.50203	0.4
89.02403	0.4
96.96036	17.2
96.96956	100.0
101.64716	0.4
106.50977	0.4
111.09420	0.5
188.45494	0.5
191.05621	2.3
206.18729	0.4
259.02252	8.1
354.12253	0.5
423.94281	0.5
439.08371	0.5
503.16235	2.0
601.13953	28.8
628.24615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18102	0.6
78.95902	44.4
83.14565	0.5
89.02409	0.7
96.96957	100.0
101.01573	0.6
101.89254	0.6
108.44947	0.7
111.76431	0.5
113.02401	0.9
138.97983	0.7
148.06056	0.7
154.82266	0.7
259.02249	19.2
301.03271	0.6
455.87540	0.7
459.05832	0.7
503.15872	3.0
601.13965	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20242	1.2
50.35344	1.1
50.92159	1.2
51.83688	1.2
52.34726	1.1
53.05935	1.1
62.02493	1.2
70.02943	10.9
72.00903	8.2
77.23814	1.3
96.00900	19.3
113.03576	33.1
114.01964	55.7
123.05651	9.9
129.04106	1.6
131.04622	98.7
132.03038	17.7
143.04634	15.4
149.03508	10.5
157.06163	7.6
163.09335	1.4
167.04633	15.7
184.07259	1.4
185.05577	2.1
187.03581	2.3
188.25903	1.8
191.05659	17.2
193.02567	8.3
211.03610	36.1
229.04659	56.9
244.64313	1.8
247.05716	100.0
353.08832	2.1
386.68610	1.6
455.60086	1.6
467.94940	2.1
509.90637	1.5
564.15729	1.8
591.72284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66230	0.5
53.86942	0.5
59.01382	3.1
71.01388	1.3
72.99325	0.9
73.01176	2.6
76.86621	0.7
78.95918	2.4
81.63679	0.6
85.02957	1.1
87.00861	0.9
89.02426	1.2
91.84069	0.6
93.03462	4.1
96.96004	27.6
101.02467	0.9
111.62224	0.6
117.00169	1.1
127.18449	0.7
133.05077	1.2
134.03706	2.4
137.02510	0.8
146.03738	6.8
149.02502	1.4
150.03256	6.1
159.09520	0.6
161.06099	2.9
164.04793	6.1
165.05545	10.6
171.10191	0.8
173.04597	6.8
179.03651	0.7
179.07172	10.7
180.04254	1.3
191.05635	100.0
193.05132	2.9
195.06659	5.9
205.05109	3.1
206.05840	0.8
223.06105	1.0
265.07281	1.5
357.13708	1.3
367.10385	18.2
371.35349	0.7
373.12955	3.7
421.15140	6.7
454.22128	3.5
467.10669	0.8
485.16876	4.2
553.20691	0.8
601.16223	21.3
601.28394	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32350	1.0
52.93827	1.0
58.10921	1.2
59.01378	9.5
61.65505	1.0
71.01394	4.7
78.06141	1.1
79.73862	1.3
89.02438	8.3
93.52800	1.3
94.31703	1.3
101.02427	6.2
108.50298	1.4
109.02951	2.7
113.02428	2.6
116.92840	1.4
119.03497	2.6
121.33776	1.4
124.04050	11.9
135.04514	30.6
137.02295	1.5
143.26707	1.4
149.06085	2.4
161.02435	65.6
165.05525	1.6
177.05556	25.2
179.03500	100.0
193.89809	1.3
203.03534	2.0
210.07652	2.7
211.08018	1.9
221.04550	56.3
223.06047	2.0
229.01491	3.0
246.90193	1.4
251.05661	16.0
267.06650	2.4
279.10764	2.8
281.06705	42.4
295.06323	1.4
325.87689	1.3
341.08725	23.0
352.81741	1.5
373.72641	1.7
439.12476	7.2
443.12024	8.1
491.11816	2.1
503.14105	10.1
511.14725	1.6
541.15619	35.8
601.17365	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15379	0.6
59.01383	1.6
60.11218	0.7
71.12238	0.7
80.02794	0.7
107.01274	0.7
107.05016	1.4
111.00857	2.6
117.23100	0.7
122.03668	0.9
123.04518	56.5
137.06084	7.0
150.03242	1.3
165.05563	5.5
166.02742	5.2
181.05075	100.0
195.06668	1.7
222.92209	0.8
225.04083	44.2
331.11700	1.0
379.13931	4.9
568.06635	1.0
601.17902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06157	0.7
51.12352	0.8
59.01398	1.2
67.01881	1.6
70.34396	0.7
92.76440	0.8
97.84602	0.8
98.06574	0.8
107.05001	1.5
122.03648	0.9
123.04519	48.0
123.05409	1.9
137.06078	4.7
161.02432	8.2
165.05551	3.5
166.02705	4.4
179.03467	3.0
181.05077	100.0
191.05656	3.9
195.06593	1.0
225.04057	44.5
273.79474	0.9
286.79822	0.9
341.08804	1.2
379.14056	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.7
59.40844	1.0
71.01366	1.5
81.58824	1.1
89.02440	1.3
91.80109	1.1
101.02445	1.9
113.02412	1.2
114.56002	1.2
117.03438	4.7
119.05028	38.3
133.02957	2.3
134.03728	13.3
134.27441	1.0
137.02431	1.5
145.02963	46.3
160.01665	27.4
161.02472	9.9
163.04013	41.4
172.15582	1.2
175.04010	60.6
193.05090	12.1
234.64919	1.0
331.85959	1.1
425.14548	1.6
437.14487	6.3
541.30408	5.4
541.98444	1.2
601.19379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.2
66.07420	1.6
71.01382	9.7
73.02937	2.7
77.51425	1.8
85.02948	2.3
87.00856	3.1
89.02412	4.5
99.00877	3.1
101.02421	12.3
104.23685	1.7
113.02406	8.8
120.49189	1.8
130.25047	1.9
137.02434	2.2
149.02423	8.5
150.03212	16.6
164.04808	17.8
165.05559	26.4
175.00288	3.7
175.04022	2.1
177.01813	2.1
177.05518	2.6
178.02721	2.7
179.07085	1.8
179.96793	2.0
180.04225	3.3
181.05119	4.5
190.02708	39.9
193.05055	7.7
195.06607	12.0
205.05057	61.8
206.05885	3.0
223.06180	15.2
273.21970	2.4
312.06339	2.0
343.11621	2.1
375.14429	9.1
481.27335	2.1
512.86432	2.3
541.29968	9.2
601.21686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56054	0.3
57.36714	0.4
59.01383	9.2
71.01381	5.0
71.49780	0.4
72.99290	3.9
78.95891	4.4
79.30245	0.4
87.00866	0.5
89.02438	9.4
91.86367	0.4
93.03434	0.6
94.76438	0.5
95.01334	0.5
96.96008	5.5
96.96954	12.4
98.02419	0.4
101.02427	4.8
106.62752	0.4
113.02438	3.6
113.03575	2.0
119.03558	2.9
119.05015	6.1
131.04602	4.9
133.01497	0.4
133.77521	0.4
135.04527	14.8
143.03539	0.5
145.80766	0.4
149.02504	0.5
150.03163	0.9
163.02637	0.9
163.04007	29.2
164.04779	0.7
165.05562	2.5
173.04573	0.8
179.03499	0.7
179.05605	4.2
180.04279	0.8
181.05074	100.0
191.05658	1.8
193.05051	0.4
195.06622	3.6
203.06795	0.4
331.11911	0.9
391.13931	1.8
421.14984	0.9
439.16150	3.2
441.86777	0.5
443.17520	1.7
502.65002	0.4
530.13263	0.5
601.21063	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01326	1.4
59.01378	2.9
61.98829	6.4
71.01387	6.0
71.02493	1.5
73.02186	1.2
73.02931	2.5
79.90868	1.4
85.02947	3.3
87.00900	1.4
89.02449	2.1
92.22511	2.8
94.18112	1.2
99.00912	1.7
101.02442	3.2
111.04496	6.1
113.02456	5.2
116.57072	1.3
120.20255	1.2
122.03790	1.6
127.04015	9.0
147.04524	6.6
149.02431	37.5
150.03229	37.7
155.03474	10.0
159.02966	1.8
161.02473	1.5
161.04445	1.6
162.03201	1.7
164.04796	94.6
165.05562	54.5
173.08160	1.7
179.07101	10.0
180.04277	8.5
190.02718	8.0
191.05629	14.3
193.01297	1.7
195.06599	24.4
199.02539	3.2
205.05086	12.9
208.03737	8.1
221.08223	1.8
223.06120	100.0
285.07748	1.9
300.10037	8.2
357.09833	8.0
375.14484	11.4
377.14471	1.6
387.14584	10.8
405.15250	1.6
553.21100	2.3
601.21997	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95285	0.6
57.31617	0.9
59.01382	9.6
62.32142	0.9
71.01382	7.9
73.02936	1.7
85.02937	2.0
87.00885	1.0
89.02442	7.3
92.47543	0.7
99.00862	5.7
101.02446	8.8
103.90480	0.8
113.02420	4.8
119.03522	1.7
136.17570	1.0
142.72923	1.0
144.04893	0.9
149.02483	6.5
150.03192	4.1
161.04543	4.6
164.04797	21.7
165.05576	6.4
175.00359	3.5
179.07152	0.9
190.02736	44.3
191.03859	2.3
191.05608	27.3
195.06569	1.1
205.05078	75.3
206.05759	1.0
208.03825	1.5
208.18063	0.9
223.06097	15.4
263.11313	1.9
375.14655	0.9
395.15958	1.3
435.08005	1.0
469.17554	1.8
601.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60923	0.7
52.08207	0.7
56.04436	0.9
59.01382	20.2
60.35798	0.7
69.10093	0.9
71.01359	8.8
72.99281	0.8
73.02940	4.0
85.02943	1.4
87.00871	0.9
89.02436	5.6
99.00870	3.7
101.02435	8.9
110.21552	0.8
113.02419	4.5
114.22780	1.0
117.82726	1.0
119.03471	1.5
121.02977	1.0
134.03749	1.3
147.04521	7.6
149.02432	30.9
149.05948	0.9
150.03279	1.1
160.01601	2.3
164.04791	92.7
175.04002	20.0
179.07114	9.2
190.02655	7.9
193.05014	1.7
205.05075	13.0
208.03801	4.9
223.06123	100.0
229.14435	2.0
293.18521	1.1
293.21201	8.4
305.12427	1.1
353.23416	8.7
368.92191	1.0
377.14523	1.4
439.16077	13.8
448.95215	1.1
497.27634	10.6
515.28888	3.8
557.29694	21.9
601.21387	39.0
601.30652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47525	0.4
55.04607	0.5
55.81486	0.4
71.01381	2.1
75.00833	0.4
85.02955	1.8
95.34849	0.4
101.02438	1.8
113.02430	1.8
134.03723	7.2
149.06062	2.4
160.01653	22.4
160.02985	0.9
161.04550	0.7
175.04002	100.0
178.02634	0.5
179.03511	0.7
193.05066	17.0
424.13931	1.6
439.16138	82.1
550.57599	0.5
551.07434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72919	0.3
59.01377	3.2
62.52070	0.3
70.98479	0.3
71.01377	2.7
72.99296	3.8
78.95908	3.1
89.02407	2.6
93.03461	0.3
96.96022	0.6
96.96964	6.7
97.04382	0.3
97.54724	0.3
101.02444	1.8
108.32436	0.3
113.02458	1.3
119.03532	1.4
119.05018	6.2
125.67526	0.3
131.21407	0.3
134.03729	0.5
135.04526	13.1
151.80670	0.4
163.04015	30.0
165.05573	0.4
176.67798	0.4
179.03569	0.4
179.05591	0.6
181.05077	100.0
191.05595	0.4
195.06638	0.6
207.48732	0.4
212.96480	0.4
281.12451	0.4
319.48590	0.4
439.16193	0.7
443.17685	4.5
503.03250	0.4
601.12659	0.8
601.21783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50237	0.3
59.01379	2.0
59.78094	0.3
71.01379	1.6
85.02956	0.5
89.02431	0.8
101.02446	2.5
113.02464	0.7
132.02168	0.8
134.03740	7.6
137.02515	0.5
145.47728	0.4
149.06084	2.3
160.01657	20.5
175.04008	100.0
178.02754	0.8
193.05084	14.6
272.25528	0.4
320.01553	0.4
424.13895	0.6
439.16162	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
64.99178	0.3
71.01381	0.3
78.95918	0.6
79.95750	0.6
83.48744	0.3
89.02438	0.4
90.02318	0.3
95.94309	0.3
96.96004	100.0
98.95586	0.3
113.61321	0.3
146.03754	0.4
165.05614	0.7
171.10289	0.4
179.07095	0.6
231.92265	0.3
366.85443	0.4
481.00739	0.3
601.29321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
69.17286	1.1
71.01378	1.7
73.29168	1.1
76.66460	1.0
81.58775	1.0
89.02430	1.4
93.03445	1.1
100.86951	1.0
101.02425	1.3
113.02451	7.3
114.59221	1.0
116.92837	4.5
121.02950	1.4
122.03709	5.1
149.02440	10.4
150.03229	72.7
151.04141	1.1
161.02412	4.5
164.04782	10.8
165.05569	100.0
176.04694	3.9
179.03529	1.8
179.07079	1.1
180.04271	9.8
190.02715	1.9
191.03493	1.0
194.05809	11.5
195.06648	28.3
205.05002	2.3
209.08252	15.8
283.09772	6.2
285.07727	5.9
300.10043	11.4
315.12378	2.0
341.10205	2.2
342.11203	1.2
343.11969	2.3
353.23325	1.8
357.09769	15.2
357.13565	1.6
360.12189	4.7
361.32458	1.3
372.12146	5.6
375.14478	21.0
387.14578	17.5
391.13919	4.6
393.91623	1.2
405.15878	1.6
419.15045	2.4
448.15399	8.9
461.15945	2.5
462.13098	1.7
463.17484	5.0
523.19617	16.6
535.20044	1.6
553.20929	29.4
557.29303	2.1
571.21692	1.5
601.22925	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83291	1.5
53.70424	1.6
55.33604	1.5
59.01385	3.4
72.80218	1.4
73.51176	1.6
76.22121	2.2
78.95895	7.2
101.02427	1.8
113.02488	2.2
122.03765	1.8
123.04569	2.1
136.66594	2.0
146.03745	79.8
149.02420	14.7
150.03232	55.6
161.06096	28.4
164.04800	67.5
164.05847	1.5
165.01981	2.4
165.05574	99.1
177.25342	1.7
179.03575	3.2
179.05554	3.9
179.07135	100.0
179.08644	3.7
180.04268	22.6
194.05878	2.0
195.06651	61.6
205.05080	4.3
225.07616	3.7
296.91800	1.8
303.54651	2.1
327.08694	6.9
342.11270	6.1
343.11978	7.7
357.13617	12.4
373.12961	32.1
403.14029	2.2
405.15646	2.6
421.15103	59.0
553.20807	12.8
557.29968	3.7
601.22351	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49509	3.1
54.49297	3.0
59.01389	8.6
80.58244	3.4
82.03490	3.5
88.76521	3.4
101.02479	4.6
149.02472	6.1
150.03223	56.2
159.04524	6.7
160.05307	26.7
164.04796	6.0
165.05563	100.0
166.02745	39.2
175.07654	23.4
176.04797	5.1
177.05708	4.1
178.06387	6.9
180.04240	9.5
181.05061	85.9
182.05760	8.6
194.05876	30.1
195.06631	45.5
196.07454	5.0
197.08206	39.9
207.06639	4.5
208.07419	19.7
209.08163	29.6
223.09795	15.6
236.06908	9.2
251.09279	96.4
251.96445	4.0
269.10312	27.3
272.27966	4.2
272.64200	4.4
285.07690	26.0
298.08304	5.0
300.09857	8.2
312.10147	19.5
327.12448	18.3
331.11993	6.4
333.16592	4.8
343.11948	7.8
372.12167	4.4
375.14410	8.8
406.21680	4.5
553.20990	20.4
571.21869	19.9
601.22980	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49509	3.1
54.49297	3.0
59.01389	8.6
80.58244	3.4
82.03490	3.5
88.76521	3.4
101.02479	4.6
149.02472	6.1
150.03223	56.2
159.04524	6.7
160.05307	26.7
164.04796	6.0
165.05563	100.0
166.02745	39.2
175.07654	23.4
176.04797	5.1
177.05708	4.1
178.06387	6.9
180.04240	9.5
181.05061	85.9
182.05760	8.6
194.05876	30.1
195.06631	45.5
196.07454	5.0
197.08206	39.9
207.06639	4.5
208.07419	19.7
209.08163	29.6
223.09795	15.6
236.06908	9.2
251.09279	96.4
251.96445	4.0
269.10312	27.3
272.27966	4.2
272.64200	4.4
285.07690	26.0
298.08304	5.0
300.09857	8.2
312.10147	19.5
327.12448	18.3
331.11993	6.4
333.16592	4.8
343.11948	7.8
372.12167	4.4
375.14410	8.8
406.21680	4.5
553.20990	20.4
571.21869	19.9
601.22980	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20510	0.3
55.56086	0.3
57.70731	0.3
58.54134	0.3
59.01379	4.1
71.01385	2.1
73.02935	0.7
73.28767	0.3
78.06596	0.3
82.78667	0.3
85.02941	3.2
87.00858	0.6
89.02457	0.6
89.22367	0.3
93.03450	0.7
99.00866	1.6
101.02431	2.0
109.02930	0.5
109.55036	0.4
111.04522	0.6
112.05037	0.4
113.02448	0.9
114.83092	0.4
115.03941	0.4
119.03517	0.5
121.90894	0.3
127.03983	1.9
128.41106	0.4
145.03052	0.5
146.71037	0.3
149.02400	0.7
155.03500	0.6
161.04486	0.7
163.04053	0.4
164.04788	2.6
165.05615	0.7
173.04703	0.6
175.00327	0.5
175.04001	0.8
190.02740	6.9
191.05632	100.0
199.02341	0.6
205.05081	12.4
223.06052	2.9
226.45734	0.4
334.59546	0.4
342.47800	0.4
353.23392	0.5
385.87857	0.4
497.27127	0.7
557.30200	1.5
601.21277	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
59.01101	2.1
59.01384	42.5
66.89254	1.0
70.62856	1.1
71.01012	1.7
71.01381	31.1
73.02939	12.7
77.77903	1.1
78.95933	2.7
83.01383	6.0
85.02943	12.9
87.00874	5.3
89.02438	16.8
95.01363	1.6
99.00874	2.1
101.02439	32.4
111.00877	2.2
113.02461	21.6
119.03481	5.7
125.02422	2.0
131.03474	2.4
143.03572	2.4
146.03723	7.0
149.02457	2.3
150.03215	24.8
159.02986	2.4
161.04559	8.2
161.05908	3.2
164.04823	8.4
165.05574	35.2
175.04010	1.4
179.07123	14.1
180.04309	4.5
181.05107	2.0
182.03879	1.2
190.02721	2.4
195.06673	13.4
205.05125	6.1
225.07721	1.4
293.21280	30.5
295.09845	1.3
309.07806	1.9
312.10031	5.2
315.02380	1.2
324.09909	1.8
327.08838	1.7
327.12350	2.7
335.22238	1.3
353.23358	38.4
365.23373	2.7
373.12881	2.3
375.14801	1.8
387.14551	2.0
395.24524	2.6
405.15744	2.4
421.15082	5.6
460.15393	4.4
475.17734	5.6
497.27655	66.8
515.28705	41.5
541.25305	1.5
553.20807	7.7
557.29700	100.0
565.19208	5.2
601.21564	8.5
601.28906	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
59.01101	2.1
59.01384	42.5
66.89254	1.0
70.62856	1.1
71.01012	1.7
71.01381	31.1
73.02939	12.7
77.77903	1.1
78.95933	2.7
83.01383	6.0
85.02943	12.9
87.00874	5.3
89.02438	16.8
95.01363	1.6
99.00874	2.1
101.02439	32.4
111.00877	2.2
113.02461	21.6
119.03481	5.7
125.02422	2.0
131.03474	2.4
143.03572	2.4
146.03723	7.0
149.02457	2.3
150.03215	24.8
159.02986	2.4
161.04559	8.2
161.05908	3.2
164.04823	8.4
165.05574	35.2
175.04010	1.4
179.07123	14.1
180.04309	4.5
181.05107	2.0
182.03879	1.2
190.02721	2.4
195.06673	13.4
205.05125	6.1
225.07721	1.4
293.21280	30.5
295.09845	1.3
309.07806	1.9
312.10031	5.2
315.02380	1.2
324.09909	1.8
327.08838	1.7
327.12350	2.7
335.22238	1.3
353.23358	38.4
365.23373	2.7
373.12881	2.3
375.14801	1.8
387.14551	2.0
395.24524	2.6
405.15744	2.4
421.15082	5.6
460.15393	4.4
475.17734	5.6
497.27655	66.8
515.28705	41.5
541.25305	1.5
553.20807	7.7
557.29700	100.0
565.19208	5.2
601.21564	8.5
601.28906	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86173	2.1
57.33242	2.2
58.27121	2.5
59.01106	3.9
59.01387	84.7
71.01384	27.2
71.24156	2.1
73.02927	11.9
75.00889	2.5
78.32222	2.7
81.17502	2.3
83.01412	3.4
83.74215	2.4
85.02952	15.9
88.96124	2.0
89.02430	5.6
96.31564	2.6
97.02972	2.7
99.00906	3.9
101.02457	32.4
110.59317	2.7
111.04504	3.0
113.02442	37.8
119.05027	2.4
127.03996	11.3
134.03702	4.2
135.04544	2.9
145.02919	3.4
155.03584	9.3
161.04532	6.5
165.05585	14.9
172.32669	3.1
174.09889	2.6
175.03990	6.2
177.29155	2.5
185.24864	2.8
191.05624	28.5
193.05157	3.1
195.06621	5.0
199.02522	4.2
237.67888	3.2
251.96172	3.2
273.18674	4.4
293.21268	43.5
321.20569	3.4
343.66647	2.6
353.23376	70.4
376.56287	2.8
497.27634	100.0
515.28845	20.2
541.29919	3.9
557.29785	99.9
601.21027	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25400	0.4
55.01890	0.7
56.34742	0.3
59.01386	5.3
59.79233	0.3
64.27424	0.4
68.90797	0.4
71.01370	3.2
73.02947	0.4
85.02937	0.8
89.02432	0.9
92.23070	0.6
101.02434	3.0
107.90938	0.5
113.02441	2.1
115.99119	0.5
120.11809	0.5
124.27218	0.4
138.09230	2.6
140.10814	23.9
155.73741	0.5
161.04517	0.6
165.05632	1.9
184.09789	100.0
191.05646	0.7
195.06601	0.5
231.09863	35.2
268.78207	0.5
293.21277	2.5
299.58066	0.5
353.23340	3.0
395.24606	0.6
497.27719	5.0
515.28711	2.5
557.29773	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	54.1
69.09654	1.1
71.01384	33.4
73.02950	2.3
83.01395	4.9
85.02951	5.3
87.00861	12.6
89.02438	53.6
93.91064	1.4
95.01334	2.0
101.02453	21.7
113.02439	18.3
119.03477	16.4
131.03494	1.3
140.10495	1.6
143.03481	3.2
149.04530	1.7
155.81555	1.3
161.04572	5.6
179.05612	7.6
191.39763	1.4
273.22083	1.4
277.21741	100.0
291.23013	2.1
319.22672	3.1
323.09854	21.4
341.06818	1.9
341.10938	50.8
601.32391	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.8
59.01383	38.9
63.98273	0.7
68.32198	0.7
69.03461	0.8
71.01376	33.3
72.99306	0.9
73.02939	7.4
74.68478	0.8
78.95894	3.2
83.01389	6.1
85.02954	7.5
87.00869	37.4
89.02438	32.1
95.01379	3.8
97.02924	1.1
99.00854	1.5
101.02435	24.2
102.29576	1.1
103.95387	0.8
113.02440	25.4
115.03969	1.4
119.03500	10.3
122.15313	0.8
122.69752	0.8
125.02496	1.1
125.06120	1.3
129.01834	1.0
131.03482	1.5
139.07654	0.9
141.01949	2.0
143.03464	5.1
152.99579	7.6
161.04573	8.7
163.03906	1.3
179.05598	7.4
195.13901	2.0
198.45265	0.8
199.81958	1.0
204.59035	0.8
210.12537	0.8
225.20639	0.8
258.47549	0.9
259.20706	1.3
263.11368	5.3
273.22244	5.5
274.56375	0.9
277.21747	100.0
291.23376	18.1
293.21201	1.5
295.22864	18.5
301.21783	1.5
319.22748	9.2
323.09854	31.2
341.10922	61.4
349.23596	0.9
439.25323	1.0
451.10406	0.9
528.15143	1.8
586.16901	1.0
601.17871	2.7
601.32184	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55574	0.5
57.03438	0.8
69.67197	0.6
71.64311	0.7
76.20509	0.6
79.48420	0.6
97.06576	3.9
123.08121	1.6
125.09715	80.7
169.08676	6.6
187.09767	100.0
215.12950	0.8
225.11317	0.9
226.34488	0.6
243.12428	1.3
261.13446	19.6
292.39026	0.8
431.22833	5.6
601.32410	87.5
625.15161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68195	0.8
59.01371	5.1
63.27758	0.9
71.01380	4.4
85.02950	2.1
87.00871	35.3
89.02434	2.4
95.53612	1.0
99.00851	1.1
101.02439	3.9
110.21424	0.8
113.02460	5.5
134.86523	1.0
139.24998	1.1
159.49200	1.0
277.21747	100.0
308.32257	1.1
323.09927	20.1
407.16382	1.1
519.33759	1.1
544.78058	1.1
601.32062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31047	0.4
57.64887	0.4
58.63698	0.4
59.01384	100.0
68.83109	0.4
71.01384	4.9
73.02961	1.1
75.96403	0.4
85.02972	4.0
89.02425	1.0
99.00880	0.8
101.02441	6.3
105.01966	1.8
113.02470	3.4
150.03270	0.5
159.03009	0.8
161.04558	2.3
172.01717	0.5
191.05495	0.5
202.51094	0.5
277.21671	1.0
345.40677	0.5
481.28201	8.3
499.29285	5.1
541.30273	38.9
555.26874	2.7
601.22424	1.0
601.32471	9.1
624.84015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08849	0.7
59.01384	100.0
64.32685	0.8
70.94887	0.9
71.01382	5.7
73.02933	4.3
75.00887	1.3
80.43314	0.7
85.02937	3.5
89.02441	1.6
101.02437	8.0
113.02438	4.3
119.03554	0.9
159.02927	1.1
161.04573	1.3
227.83771	0.9
277.21652	1.5
468.81967	0.9
481.28003	7.8
499.28995	4.7
541.30243	49.3
581.42749	1.0
594.26135	1.1
601.33148	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66574	1.1
57.26300	1.3
59.01382	100.0
65.89281	1.0
70.15807	1.1
71.01377	7.6
73.02946	2.5
85.02948	2.8
89.02399	2.1
95.87611	1.1
101.02421	8.5
113.02447	4.8
118.64040	1.4
119.04992	9.0
130.08800	1.7
145.02991	16.6
160.01631	8.6
161.02383	2.1
161.04675	1.2
163.04025	7.1
175.03996	18.3
185.11876	1.3
188.74661	1.3
193.05052	6.3
235.49643	1.3
277.21634	2.8
334.50827	1.3
378.20984	1.4
396.02081	1.4
481.28455	4.0
499.28979	2.8
541.30298	57.3
601.19421	24.8
601.32037	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22591	0.8
59.01379	1.6
59.31048	0.7
59.53456	0.7
70.86117	1.0
71.01370	1.0
78.95888	1.2
80.52645	0.8
81.12151	0.9
119.83118	1.2
129.60060	0.9
138.23611	0.8
149.06062	6.9
152.99590	1.1
159.04558	1.2
160.05298	14.7
161.04617	0.9
172.05298	3.7
173.06055	4.2
185.09698	1.4
186.06856	4.0
187.07690	1.5
188.08458	7.4
189.09164	1.0
200.08501	1.3
201.09169	1.6
202.10019	35.4
203.10887	3.2
214.10019	4.4
242.13222	1.7
256.14703	16.3
258.16196	3.6
260.00546	0.9
270.35419	1.0
271.17059	40.4
272.17764	1.8
273.18567	1.0
276.27368	0.9
283.17068	10.1
300.17444	3.3
307.20752	1.5
325.21713	9.9
326.22543	3.6
377.28467	1.8
394.28796	100.0
395.29581	33.2
420.21472	1.1
422.05597	1.2
437.30585	3.9
554.78052	1.0
557.35010	28.3
601.33899	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00144	0.7
59.01101	1.5
59.01382	30.4
61.98834	0.9
66.79372	0.8
71.01379	4.4
73.02941	1.7
78.95899	1.0
79.36051	0.7
85.02948	4.0
101.02444	4.6
101.06059	1.2
109.26503	0.8
113.02434	1.9
152.99583	7.0
161.04561	6.7
195.13902	18.5
250.52972	0.9
255.34703	1.0
263.11386	34.6
264.98608	0.9
277.21765	17.7
293.21344	1.0
295.22818	100.0
318.58527	1.0
541.33905	1.2
548.87976	1.1
601.30688	3.6
601.40533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98098	0.7
59.01098	1.7
59.01378	29.2
71.01374	4.1
73.02947	1.3
75.99987	0.8
85.02937	1.0
89.02425	1.6
92.23087	2.1
95.05108	0.8
101.02433	4.6
113.02438	4.1
116.92216	1.0
148.68735	1.0
152.99588	2.0
161.04579	3.7
171.10284	24.5
263.11441	14.9
272.42838	1.0
277.21741	38.5
293.21170	1.2
295.22815	100.0
341.10779	3.3
496.87753	1.1
527.14673	1.4
528.15228	18.1
541.33563	4.1
554.59320	1.1
601.18488	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67885	0.8
59.01382	3.9
63.91133	0.8
65.03968	1.4
71.01370	1.2
71.83282	1.0
85.02940	1.1
99.60860	0.9
101.02484	1.1
101.08352	1.0
113.02474	1.6
119.03495	1.2
139.02992	0.9
139.04042	3.8
154.90094	0.9
158.03906	0.9
171.10283	1.0
174.12302	0.9
202.80321	0.9
209.11830	1.9
235.13403	1.6
246.58739	1.0
277.21774	3.2
281.24890	100.0
305.17477	1.7
323.18723	3.9
341.62875	0.9
341.82181	1.2
379.28720	1.7
393.30145	5.0
421.29871	1.6
601.41174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83461	0.4
59.01108	0.5
59.01385	12.2
59.01677	0.6
71.01357	2.6
73.74300	0.4
85.02947	0.7
89.02422	2.1
91.95311	0.5
98.26662	0.5
101.02430	2.1
113.02456	0.6
141.95288	0.5
161.04553	0.9
189.59543	0.5
233.22589	0.7
241.39005	0.4
263.11389	3.4
277.21741	100.0
281.12408	3.1
330.46927	0.6
354.04486	0.6
389.90207	0.5
492.39767	0.5
541.34052	4.0
601.41174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15456	0.4
54.78830	0.4
59.01381	8.3
61.98814	2.7
63.17615	0.4
63.99291	0.4
71.01389	4.2
71.05016	0.7
73.02944	1.0
81.03453	2.5
82.18938	0.4
85.02948	0.8
88.43027	0.5
88.60661	0.5
89.02414	0.6
93.21487	0.5
99.04514	4.6
101.02441	2.2
102.16590	0.5
111.92281	0.5
113.02414	2.3
117.09486	0.4
161.04559	0.6
171.10385	0.5
234.67918	0.5
269.11243	0.5
275.23325	0.5
279.10870	2.8
279.23306	100.0
293.24832	0.6
302.39316	0.5
328.81769	0.5
338.92950	0.5
345.18713	0.5
493.81589	0.7
541.33875	5.0
601.41345	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09922	0.6
56.55074	0.6
59.01384	14.9
60.56116	0.6
61.98844	1.2
64.92977	0.6
71.01361	0.8
77.12862	0.6
78.95863	0.8
79.46996	0.6
79.76166	0.5
80.26735	0.7
80.35702	0.6
80.71849	0.6
91.15166	0.6
94.98083	0.9
99.04566	0.8
101.02437	0.8
152.99590	1.0
279.23315	100.0
326.22699	1.3
329.35992	0.8
351.19406	0.7
389.02432	0.8
541.33551	1.1
601.34637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70243	0.5
59.81385	0.6
67.83733	0.6
75.46710	0.7
84.00903	1.4
98.45987	0.7
116.26917	0.8
118.58718	0.7
129.10306	1.5
140.07170	3.0
142.87740	0.7
148.27271	0.7
155.08232	1.5
165.83763	0.7
170.09326	2.6
185.16576	4.5
198.16167	0.8
207.15019	1.4
225.15950	1.5
239.18875	1.0
242.18794	5.5
281.22479	2.7
282.19449	3.0
283.17804	3.7
300.20480	1.4
311.24600	8.1
338.25732	1.7
350.32260	0.9
356.26724	12.8
393.32489	5.5
396.26224	1.0
411.33392	4.7
469.51031	0.8
478.37640	0.8
480.39203	1.6
521.42053	3.3
546.99286	0.9
547.40497	0.9
565.40894	100.0
601.38617	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86353	3.8
69.08977	4.3
70.19322	3.3
72.65980	3.8
90.26879	4.5
97.06618	4.8
105.85208	3.8
109.34389	3.9
109.95262	3.8
133.63933	3.7
137.09773	4.6
145.64613	4.5
152.99637	4.6
159.93298	5.2
172.66330	4.4
179.71138	4.0
291.19724	100.0
309.20575	5.7
495.74271	5.4
557.54291	5.0
601.32483	15.1
601.41058	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21677	1.7
59.01148	1.7
71.01369	9.8
72.99310	2.0
109.26398	1.7
115.00362	53.3
121.33668	1.9
128.98621	2.1
133.01425	100.0
181.27118	2.2
299.94479	2.0
549.62738	1.9
591.16260	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24721	0.8
56.45589	0.8
58.52060	0.8
64.73611	0.9
64.73966	0.8
65.53467	0.8
65.80788	0.9
78.95898	40.8
92.22530	1.2
96.96001	55.3
96.96955	100.0
100.73421	0.9
104.48267	0.8
123.04500	1.8
137.06091	1.5
157.31995	0.9
161.02463	5.7
174.19632	1.1
180.10249	6.5
190.05026	1.1
192.54065	0.9
204.06696	2.2
270.11334	1.6
299.09174	2.2
300.12494	1.7
310.10901	2.0
311.09338	7.0
327.11005	1.7
342.13480	50.0
371.44678	0.9
504.18835	48.4
602.16272	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86422	1.1
57.92491	1.2
62.09399	1.3
74.37051	1.0
78.95908	43.0
96.96041	11.4
96.96956	100.0
98.75611	1.1
115.94312	1.3
123.04532	1.2
133.01414	6.4
135.04535	1.5
140.64795	1.2
161.02454	2.5
165.07832	1.4
168.12912	1.3
179.99054	1.3
180.10338	4.8
204.06546	2.1
230.89523	1.4
241.05032	1.5
285.09991	2.3
299.09308	2.8
300.12381	5.8
310.10938	1.6
311.09286	8.2
327.11252	2.1
334.60498	1.6
342.13510	60.8
445.41946	1.5
504.18814	60.0
516.68896	1.4
525.61615	1.5
602.16510	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35474	0.5
59.01390	0.8
60.01430	0.5
61.78062	0.5
67.01894	4.6
78.37249	0.6
87.69367	0.6
89.02437	0.8
96.95972	0.9
101.12378	0.6
111.00870	63.4
112.64816	0.6
116.92806	1.1
123.04513	0.9
134.03741	3.8
134.85939	0.6
135.04517	13.4
137.02460	1.1
148.05301	5.3
149.04980	1.0
149.06079	7.3
152.07158	7.3
161.02396	1.0
167.41806	0.7
175.03986	7.9
177.04260	1.0
178.05092	14.1
181.35310	0.7
190.05139	1.1
192.06639	0.9
206.39946	0.7
313.09558	3.5
328.11929	100.0
383.14392	0.8
393.72086	0.9
459.97330	0.6
490.17236	20.5
558.30463	1.3
602.18921	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89496	0.3
55.78483	0.3
59.16601	0.3
61.98834	100.0
70.89504	0.3
74.80907	0.3
81.62890	0.3
85.18389	0.3
121.81190	0.3
123.29005	0.3
364.12112	0.5
539.21588	0.7
602.18439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41349	0.7
50.41823	0.6
50.97302	0.6
53.30362	0.6
54.14209	0.7
58.02960	0.8
59.01381	30.2
71.01376	23.1
72.99281	0.8
85.02954	3.4
88.04043	24.4
89.02442	17.1
89.65936	0.8
90.38900	0.8
93.74553	0.8
101.02454	11.0
111.08190	3.6
113.02459	5.4
115.00364	13.6
119.03495	6.8
120.32134	0.7
139.11223	0.8
147.04550	0.9
149.02440	7.7
150.02722	1.7
151.11284	26.7
161.04622	1.2
164.04788	15.8
165.05118	7.0
179.07172	1.8
180.07468	0.8
190.02832	1.4
205.05104	3.2
206.05429	1.2
223.06100	13.5
224.06476	10.1
226.10918	4.6
262.70978	0.8
420.54028	0.9
428.63818	1.0
487.25647	3.3
602.28564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	0.6
52.28520	0.6
59.01378	1.6
61.98833	100.0
73.60145	0.6
108.90601	0.7
234.81323	0.7
240.31927	0.7
241.99269	0.7
277.21790	2.8
278.22122	3.6
279.22165	0.7
295.22620	0.7
296.23068	0.8
515.84155	0.7
543.35480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98833	100.0
78.95885	0.9
93.72677	0.7
117.55865	0.6
190.76752	0.6
192.66014	0.6
265.69986	0.5
277.21671	5.2
278.22000	5.6
542.34131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01828	0.6
61.98829	100.0
62.91303	0.5
66.74027	0.6
73.82621	0.7
100.39288	0.6
181.45575	0.7
190.78467	0.7
267.58792	0.7
278.73685	0.8
279.23303	0.9
280.23569	1.1
281.23990	0.9
448.28485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22329	0.3
60.23017	0.4
61.98832	100.0
73.36090	0.4
86.05234	0.4
107.94769	0.5
113.99300	0.4
248.37811	0.5
280.23868	0.5
315.13263	0.5
327.64890	0.5
374.75488	0.5
491.31207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.89191	0.5
89.93685	0.5
92.22528	1.2
93.08042	0.5
109.82149	0.4
111.86082	0.5
114.33869	0.6
126.82681	0.5
137.38538	0.6
145.02922	2.8
271.49619	0.6
503.40695	0.5
519.86926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50784	0.9
59.01389	17.3
61.60421	1.1
61.98827	4.4
70.85891	1.4
78.26316	1.0
78.95911	7.5
79.26561	1.1
87.19529	1.2
100.18816	1.1
152.99590	2.5
193.84970	1.5
224.06818	1.5
242.08170	2.5
259.24399	5.2
286.29147	1.2
287.94772	1.2
303.23325	56.6
395.69412	1.3
417.85431	1.7
433.64038	1.3
528.31061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53893	0.6
55.75784	0.6
57.35347	0.6
58.37350	0.6
59.01380	16.9
61.98816	1.5
78.95904	11.1
83.02509	1.2
104.37727	0.8
130.69562	0.7
145.12032	0.7
152.99567	3.9
168.04282	4.9
203.91733	0.7
206.70480	0.8
224.06914	11.6
242.07973	1.7
259.24356	4.8
303.23322	36.7
326.27170	0.8
356.39581	0.8
514.79889	1.0
528.31024	100.0
581.49329	1.0
602.34442	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26310	0.5
79.95737	6.1
80.96520	5.5
98.28601	0.5
130.70018	0.5
141.22704	0.5
269.21155	2.1
317.21643	1.1
332.22662	1.1
333.21054	8.2
350.23724	22.9
370.39789	0.6
378.23138	2.7
406.22708	3.5
602.44659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.2
72.00910	0.3
73.65535	0.2
79.95733	6.2
80.96513	5.1
87.27959	0.2
111.24166	0.2
140.26340	0.3
146.23486	0.2
156.49001	0.3
196.26788	0.2
223.20755	0.3
225.22292	0.4
251.20224	0.6
269.21188	0.4
312.46878	0.3
317.21573	1.9
332.22632	1.6
333.21127	7.6
348.22064	0.6
350.23755	21.5
378.23169	2.4
406.22687	1.8
548.76117	0.3
602.44714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61326	0.6
74.26467	0.5
76.64973	0.6
77.09935	0.6
85.23208	0.6
88.09422	0.7
166.89490	0.7
193.02068	0.7
277.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95178	1.9
56.40756	1.8
57.03453	4.0
59.01382	4.0
65.16294	1.7
71.40074	2.1
72.99300	16.1
78.81552	2.1
83.05022	14.5
85.02952	61.4
91.05652	2.1
102.71265	2.0
109.02960	2.7
111.04515	24.1
115.03994	2.7
116.54573	2.3
120.45580	2.3
127.03993	59.9
137.02469	3.0
147.02956	2.9
155.03493	83.2
155.15361	2.3
179.03474	3.1
185.04567	22.9
187.06136	2.2
191.01999	17.8
191.05585	9.9
199.02509	60.5
201.78822	2.4
203.05640	2.6
209.03017	5.3
217.03537	100.0
231.05084	34.1
249.06183	51.4
299.10950	2.0
326.42859	2.6
335.52069	2.4
337.49924	2.2
353.08679	4.9
385.07761	26.1
556.85602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56868	1.4
57.16072	1.7
57.46057	1.6
58.60337	1.5
72.99313	13.2
73.02953	1.7
73.28605	1.8
74.66624	1.6
80.65733	1.7
83.01367	2.5
83.05009	2.7
89.11353	1.9
97.02943	11.1
104.01447	1.8
109.02924	9.5
111.04510	12.9
114.66982	2.0
127.03982	22.2
129.05510	1.9
135.04527	9.6
141.05589	2.9
143.09940	1.9
155.03488	40.0
161.02446	10.9
179.03542	9.8
185.04561	63.5
187.06099	3.8
191.05508	13.6
199.02483	27.5
203.05704	21.0
217.03529	18.1
231.05118	66.5
249.06180	100.0
290.39532	1.9
353.08868	4.1
390.34543	2.0
603.19678	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42952	2.0
59.01425	1.8
67.92956	2.0
72.99315	19.7
73.02947	2.1
75.00941	2.0
77.83357	2.0
83.05023	9.3
83.05540	1.9
85.02941	26.3
91.71115	1.8
97.02960	9.0
109.02956	8.6
111.04521	21.1
115.03960	3.4
127.04008	45.8
129.05594	2.5
134.47983	1.9
135.04553	4.0
137.02518	3.6
141.05696	3.9
155.03502	67.8
161.02443	5.0
173.04518	3.8
179.03497	4.5
185.04567	62.6
187.02884	2.5
187.06107	4.4
189.31563	2.3
191.01965	11.3
191.05659	9.7
199.02484	43.5
203.05664	14.6
217.03535	58.2
231.05104	58.9
249.06186	100.0
353.08826	12.5
385.07794	10.7
441.13858	8.4
466.99521	2.4
532.43457	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53806	0.8
52.29777	0.9
53.22393	0.7
57.57476	0.8
65.61861	1.0
66.68150	0.8
72.99300	11.1
83.01386	1.6
83.05039	2.1
85.02972	1.0
97.02428	0.9
97.02928	8.1
109.02939	4.6
111.04507	13.8
115.03987	1.5
127.04003	18.5
129.05615	1.1
137.02446	1.2
141.05576	1.9
143.05339	1.0
146.54720	0.9
149.74091	0.9
153.29675	1.0
155.03503	35.6
159.03003	1.9
169.05139	1.2
171.03000	1.9
173.04529	1.2
179.03461	1.7
185.04567	57.0
187.06079	6.5
191.05687	1.4
199.02498	27.1
203.05620	15.3
217.03532	19.5
231.05124	65.9
249.06194	100.0
353.08698	1.6
603.17523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82811	0.4
53.75341	0.4
57.01242	0.4
59.01396	2.8
71.01375	1.1
73.02969	0.6
83.17583	0.5
85.02966	0.9
87.00912	0.6
89.02469	0.8
92.22482	0.5
93.03459	2.2
99.04544	0.7
101.02458	2.4
106.69791	0.5
111.04511	1.1
113.02454	2.6
118.83017	0.5
127.04025	2.9
130.09700	0.4
133.02971	4.4
134.03731	0.8
135.04530	24.5
137.02521	2.0
150.03206	3.0
155.03491	1.2
161.02446	100.0
164.04837	0.6
165.05544	5.0
166.06366	2.6
178.02742	0.7
179.03508	25.2
180.04257	0.9
181.08731	1.1
191.05675	1.2
192.01010	0.5
195.06725	3.9
199.02513	2.0
205.05072	0.6
214.75890	0.5
241.08658	0.9
329.10165	0.6
344.12494	0.7
359.14993	1.0
373.13181	0.6
382.11948	0.5
395.24115	0.5
398.04962	0.6
407.16776	0.6
421.15323	0.7
441.14069	26.5
513.58667	0.6
555.22406	1.1
603.17090	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61025	1.0
55.50707	0.9
59.01365	4.9
61.42807	0.7
65.95934	0.8
68.53204	1.1
71.01375	3.9
71.10431	0.8
73.02934	1.0
84.07631	1.1
85.02898	1.3
87.00873	1.0
89.02427	1.9
93.03427	1.2
101.02410	4.1
113.02414	1.3
127.04027	1.2
133.02913	7.1
134.03690	4.8
135.04541	19.9
137.02365	2.5
137.50835	0.9
140.10730	1.3
143.03445	1.2
150.03163	1.3
161.02440	100.0
165.05531	5.3
166.06265	1.6
173.04572	1.2
178.02663	2.3
179.03503	21.1
184.09744	4.8
191.05563	5.6
191.56793	1.2
195.06558	8.7
199.02487	1.2
224.62775	1.0
229.14462	1.0
231.10010	1.0
241.08653	2.5
423.55209	1.0
441.13715	26.4
603.17059	66.5
614.50757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84382	2.4
52.19388	2.1
59.01105	3.8
59.01385	75.6
64.97881	2.2
68.72388	2.2
71.01384	22.1
73.02937	6.6
77.60094	2.7
83.05008	4.4
85.02944	11.2
89.02448	6.3
95.04957	3.9
98.14462	2.8
99.00854	4.9
101.02448	23.5
113.02425	14.3
157.05061	72.2
159.02881	2.8
161.04568	12.3
250.90666	3.2
269.10309	6.5
401.14584	100.0
530.93445	3.2
603.30231	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94716	1.4
52.45676	1.6
59.01375	17.7
71.01376	11.2
74.41748	1.9
74.51180	2.0
85.02940	4.1
89.02442	13.6
101.02447	10.6
106.25995	2.1
113.02456	13.3
115.03974	2.0
117.03371	1.8
119.03518	2.9
119.05013	26.2
145.02963	38.1
161.06067	26.3
163.04016	92.8
177.05557	2.8
179.05568	12.7
187.03986	10.3
189.05592	100.0
191.05583	2.8
191.07109	3.3
205.05087	41.4
217.08646	10.4
235.06166	32.6
261.07742	19.3
265.07220	52.1
288.99710	1.9
307.08298	1.9
321.09583	2.4
325.09363	17.6
351.10959	4.5
363.10834	14.0
387.55179	2.0
405.27136	1.8
441.14044	3.3
480.99750	2.1
483.15192	8.5
543.17035	4.2
583.53430	2.1
603.19800	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
69.41239	1.0
71.01380	5.4
73.02987	1.3
85.02956	2.3
101.02467	1.5
113.02471	1.6
135.04538	9.7
145.13739	1.2
148.05249	1.3
149.02434	7.6
152.01089	2.0
163.04045	1.5
164.04805	20.0
172.19920	1.2
175.00323	4.9
176.01155	4.6
179.07112	2.2
181.05064	1.9
182.05846	16.3
190.02725	94.5
190.10039	19.3
191.03476	12.2
191.10797	31.7
197.08249	9.3
205.05069	100.0
208.03795	1.5
223.06139	5.9
243.12364	1.9
338.43362	1.3
367.10269	6.9
383.11511	1.6
468.08560	1.3
559.21832	96.7
571.18170	2.7
603.20477	22.2
603.29346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17641	0.9
59.01387	1.3
62.77452	0.9
63.29573	1.0
65.49131	1.1
75.82552	0.8
93.03418	1.4
111.33536	1.0
119.05029	1.3
135.04472	1.4
137.02431	11.8
138.03325	1.4
147.04544	1.4
149.06126	1.3
151.04013	1.4
153.05614	3.8
161.02467	1.1
164.04877	1.8
178.02705	1.4
179.07161	4.1
181.05084	31.6
182.05869	100.0
196.07405	12.1
197.08215	52.3
197.09587	1.4
213.18587	1.0
225.05540	1.3
227.03558	1.7
229.05132	8.4
241.63686	1.2
244.07530	8.7
255.06749	1.5
259.05963	1.4
259.09763	6.0
261.07730	4.7
269.04626	10.1
276.09921	1.9
281.04666	1.4
283.06149	5.8
284.06931	1.6
291.12439	2.3
297.07855	1.1
299.09250	5.6
301.07190	4.0
301.10608	1.8
315.08795	1.8
316.09512	1.3
331.08392	1.7
331.12048	5.1
335.11426	5.0
343.08310	12.1
343.11911	1.7
345.09848	6.5
357.69116	1.2
361.12979	2.1
375.11099	4.2
377.12372	1.9
389.12479	2.2
405.11890	19.8
493.03458	1.2
541.17249	1.3
573.20154	1.6
585.19946	14.7
603.20740	28.2
603.29425	2.2
621.36041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64399	3.7
59.01372	35.6
62.13521	3.9
67.84788	4.0
71.01373	35.9
74.40885	4.0
81.52132	4.5
85.02944	8.7
89.02438	17.5
93.03451	7.7
96.99355	4.0
99.00858	4.2
101.02435	8.3
108.02128	4.7
113.02415	16.6
115.67131	4.3
119.03568	4.7
123.04538	4.3
133.02934	5.7
135.04503	27.5
137.02391	5.1
140.10789	10.1
143.05089	4.5
146.03714	9.3
150.03235	8.6
154.08789	6.0
159.03235	4.3
159.04550	20.5
161.02461	100.0
161.20172	4.5
165.05577	25.7
173.04567	5.6
179.03488	23.6
184.09799	99.4
187.03929	4.4
191.05679	9.1
195.06662	9.6
226.06387	58.4
231.09836	38.5
238.06369	6.9
241.08757	85.3
251.07144	26.1
252.07883	24.5
253.08745	10.0
254.09454	7.9
267.10312	17.5
279.06775	6.5
280.07437	63.4
283.09625	5.9
294.10986	4.5
295.09802	76.1
313.10800	5.9
339.08762	22.9
441.13974	26.2
499.29288	6.2
559.21661	23.9
559.30133	6.3
603.19653	68.1
620.33105	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41061	0.2
58.97966	0.2
59.01385	1.2
71.01360	0.5
72.80499	0.2
85.02959	2.9
87.00903	0.5
89.02444	0.4
89.45808	0.2
92.22557	0.2
92.82498	0.2
93.03432	0.4
101.02450	0.4
111.04503	0.3
113.02435	0.3
127.04005	1.0
137.02492	0.2
145.02962	0.4
163.03981	1.6
163.84410	0.3
169.05045	0.2
173.04535	1.0
179.03470	0.2
189.05623	0.5
191.05634	100.0
217.08638	0.3
246.40326	0.3
261.07529	0.4
302.27319	0.3
316.93561	0.3
359.62540	0.2
401.43719	0.2
493.61591	0.3
603.20435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.6
95.91534	0.8
103.76534	0.8
130.08699	0.9
131.72009	1.2
161.02438	5.8
169.92082	0.9
176.04793	13.1
179.03525	8.9
182.70178	0.8
191.07141	8.8
194.05856	45.8
203.61102	0.9
209.08212	100.0
238.12981	0.9
445.17221	10.3
517.92218	1.3
603.22498	1.0
621.22791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93868	0.4
56.73642	0.5
59.01384	5.6
63.10455	0.5
71.01371	5.0
73.02941	1.0
85.02932	1.3
89.02438	4.6
96.59410	0.5
101.02422	6.0
113.02443	3.2
119.03484	0.8
135.04524	3.9
136.05293	7.8
151.07655	1.3
159.03000	0.6
161.04636	2.8
177.05588	7.9
180.89081	0.6
195.06641	100.0
209.08310	0.9
237.07686	0.7
263.11359	2.2
425.95685	0.7
441.17682	67.1
603.23175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09194	0.8
59.01381	65.0
62.92628	0.9
71.01380	21.3
72.99282	1.2
83.01465	1.4
85.02956	4.6
85.32349	1.0
89.02438	28.4
95.01388	1.2
101.02444	11.2
111.00846	1.2
113.02444	11.4
119.03487	6.9
131.03430	1.4
135.04539	1.4
143.03474	1.5
149.02419	1.5
151.03946	1.6
161.04610	1.2
163.04039	4.6
164.04774	8.8
166.02731	1.6
177.05540	1.5
179.05565	5.4
179.07150	8.6
182.05823	1.8
183.06621	6.5
190.02663	4.1
195.06624	15.8
205.05066	15.6
207.02985	5.4
207.53348	1.1
208.58186	1.2
223.06104	5.0
256.82767	1.1
274.08438	2.3
289.10876	6.3
297.09851	9.5
321.09802	1.4
355.71848	1.1
404.15646	1.2
441.17755	11.2
454.14624	1.7
469.17212	100.0
543.20728	12.5
603.17383	1.2
603.28998	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	73.1
71.01374	8.7
72.06387	1.3
85.02961	1.7
89.02436	13.2
101.02463	9.6
108.35136	1.6
113.02449	5.1
119.03519	2.5
126.76981	1.4
149.02431	6.3
164.04796	44.3
173.11819	2.9
179.05614	4.7
179.07118	48.1
189.44907	1.3
190.02730	7.6
205.05051	30.3
222.05334	2.6
223.06073	16.5
277.09201	1.4
297.09848	100.0
326.54648	1.6
359.68430	1.4
372.71848	1.6
469.17181	41.1
511.25653	9.1
543.21057	10.1
603.22412	5.8
617.27307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
69.01373	0.6
71.01374	4.1
73.02947	0.9
73.47839	0.6
74.20110	0.6
77.26852	0.5
85.02966	1.2
101.02432	3.1
103.47302	0.6
113.02419	3.0
119.05042	1.1
123.04556	1.0
131.07126	4.8
135.04564	4.7
136.05296	6.7
161.04564	1.4
163.04225	0.7
173.08246	1.1
177.05544	6.7
182.02049	0.6
195.06638	100.0
203.02321	0.6
228.04707	0.6
441.17719	57.5
603.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55416	1.0
59.01383	44.3
63.11650	0.8
71.01382	4.2
71.41333	1.0
72.99351	1.5
85.02954	2.2
89.02454	5.1
96.96040	1.4
101.02431	4.0
113.24717	1.0
115.03983	1.1
119.03512	1.7
137.93950	1.2
145.04903	1.0
149.02412	1.3
161.02466	6.0
161.04462	1.1
164.04823	5.0
176.04813	26.2
179.03445	9.6
179.07042	2.4
191.05630	1.6
191.07158	10.1
194.05858	36.1
205.05081	1.9
209.08208	100.0
217.10849	4.0
223.06070	1.8
297.09778	5.4
414.15314	1.2
445.17245	18.5
562.86273	1.1
603.22388	1.6
603.30212	4.8
603.38721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12661	1.9
53.67442	1.9
59.01107	3.3
59.01387	76.9
59.08189	1.7
68.17196	2.0
71.01374	21.9
73.02934	2.6
74.83407	2.4
83.08037	2.1
89.02455	19.1
91.31925	2.6
96.96016	2.7
97.02944	2.3
101.02438	15.4
111.00877	4.3
113.02461	10.0
118.84106	2.2
119.03477	9.3
121.66355	2.4
135.04512	2.4
138.03192	3.4
149.02460	8.3
164.04778	70.2
165.05138	2.4
173.04538	8.7
173.11829	15.1
178.06389	2.6
179.05678	5.8
179.07140	73.1
181.05081	14.6
182.05832	11.8
183.06628	64.5
183.87856	2.3
190.02692	15.0
205.05084	66.5
222.05432	5.1
223.06158	24.1
224.06367	2.7
235.06204	2.3
297.09848	100.0
315.69476	2.5
339.18155	4.8
414.64856	2.7
469.17194	99.5
505.26749	3.6
543.21002	8.8
559.18658	11.0
603.17511	20.3
603.29724	24.9
608.04767	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	73.3
67.55121	0.9
68.11218	0.8
69.08910	0.8
71.01378	1.2
72.34788	0.8
73.02969	1.1
85.02980	0.9
88.72268	1.1
89.02457	2.2
96.96000	7.4
98.95563	4.6
101.02441	1.0
110.14548	0.9
111.00863	1.0
149.02405	5.4
155.90767	1.0
157.30302	1.1
164.04797	50.6
166.02672	1.6
179.07141	67.2
190.02754	12.9
193.23940	0.9
205.05092	45.5
205.07039	1.4
208.03784	5.1
222.05319	5.8
223.06131	13.9
238.08508	1.1
297.09827	100.0
467.25659	1.1
469.17221	57.3
469.23911	2.2
543.20947	6.3
603.30194	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37870	0.7
59.01377	1.3
69.77030	0.7
71.05102	0.6
89.02439	0.9
91.61899	0.8
122.03722	4.4
133.02971	1.3
140.75769	0.8
143.64343	0.7
149.02451	15.0
150.03220	59.3
164.04784	12.4
165.01874	1.5
165.05565	100.0
166.06355	3.6
175.03934	0.9
179.07155	6.4
180.04314	9.7
181.05061	6.8
181.08746	1.2
182.05818	0.9
195.06635	51.8
196.07402	19.1
197.08217	1.1
205.05069	6.4
211.09769	13.5
223.06172	0.9
225.07710	1.0
255.37389	0.9
297.09821	8.2
298.08545	0.9
299.09158	1.2
313.10904	1.6
329.10229	4.0
331.84238	0.8
343.11816	10.6
344.12671	5.4
346.53577	0.7
352.87216	0.8
359.15051	15.2
373.12692	1.2
391.14154	7.9
407.17307	10.5
421.15060	3.7
469.17133	8.7
555.22394	13.7
603.24817	7.0
623.76361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88171	1.2
56.85267	1.3
60.01173	1.2
60.62356	1.4
70.80106	1.2
104.60224	1.3
111.04501	1.7
121.02965	2.0
122.03711	1.7
125.74325	1.4
135.04573	2.0
149.02477	14.5
150.03224	61.2
155.03549	2.2
161.02519	11.0
164.04811	12.0
165.01881	2.3
165.05559	100.0
166.06354	48.3
179.03481	7.8
180.04312	17.4
181.08720	27.0
194.05797	2.9
195.06633	53.6
203.23213	1.5
205.05104	2.8
210.05209	1.8
225.07693	1.9
235.46257	1.7
309.34714	1.4
315.08694	2.0
329.10330	13.4
343.11856	8.1
344.12540	16.2
359.15039	25.8
373.12903	26.1
407.17285	11.4
421.15094	31.2
442.20676	1.7
555.22107	23.4
603.17035	8.8
603.25092	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79724	2.3
57.22179	2.2
59.01381	72.7
61.81733	2.6
64.53262	2.4
64.65767	2.5
64.69685	2.6
66.69593	2.3
71.01389	16.4
73.02952	13.5
84.33079	2.4
85.02942	5.2
85.66325	2.4
92.22470	3.0
101.02464	26.5
113.02444	13.0
120.23486	3.2
161.04518	4.9
332.75693	3.1
447.79166	3.7
463.27158	5.9
481.28128	21.5
523.29236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60636	0.6
53.94371	0.7
57.03447	1.2
59.01380	29.4
60.99313	0.8
62.03001	0.7
63.22366	0.7
69.03435	1.0
71.01379	38.0
73.02932	12.2
75.00842	1.0
83.01383	4.5
85.02951	16.8
87.00858	1.2
88.98816	7.9
89.02444	24.2
95.01379	1.5
97.02937	1.0
99.00878	5.1
100.74375	1.0
101.02435	31.4
111.00870	2.0
113.02437	21.2
115.04028	1.2
117.22893	0.9
119.03499	4.2
125.02457	1.6
130.88040	0.7
131.03471	3.7
143.03467	1.0
149.04611	5.8
159.03029	1.9
161.04514	7.7
191.05661	2.0
211.09869	1.4
306.76031	1.0
333.39633	0.9
357.91486	1.2
364.51868	0.8
375.17599	0.9
409.89630	0.9
411.20264	17.7
466.46939	0.9
505.26584	1.3
543.24524	100.0
603.30579	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82704	0.9
57.03429	2.1
59.01100	1.9
59.01380	45.4
69.04259	1.1
71.01375	5.3
84.29343	1.0
85.02948	1.5
87.00856	1.6
88.64632	1.1
88.98782	1.3
89.02422	7.8
93.03429	1.7
96.95976	1.7
99.00863	8.0
99.04443	1.4
99.92055	1.2
101.02421	1.8
107.71835	1.1
113.02433	6.0
119.03493	1.6
119.08644	1.4
131.03490	1.1
137.09732	8.8
161.09700	2.1
179.10768	4.7
181.08723	15.2
191.05592	9.6
197.11844	15.9
199.87772	1.1
223.09702	1.7
241.10841	4.7
379.16141	1.4
541.61688	1.4
603.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04829	0.7
61.98827	0.8
65.14009	0.8
66.71863	0.7
70.15749	0.7
73.95843	0.8
74.75195	0.7
78.95905	100.0
96.96974	1.8
121.49146	0.8
125.09702	12.0
152.99588	29.1
153.00833	1.0
159.41066	1.1
187.09760	18.0
279.23312	45.9
298.41074	1.0
325.90051	0.9
428.28659	0.9
476.75665	0.9
482.09027	0.9
603.33203	71.6
629.81964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27913	0.6
61.98827	1.3
76.81451	0.6
78.95903	100.0
93.45634	0.6
96.96964	2.7
97.00788	0.6
97.06609	0.8
102.76638	0.7
125.09711	28.2
125.97380	0.6
152.99586	25.5
168.51343	0.8
169.08797	0.9
187.09766	42.5
279.23325	23.4
323.09018	5.6
603.33148	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.2
64.08133	1.2
69.84554	1.1
78.95901	100.0
87.00873	63.3
96.96981	2.4
118.04732	1.3
118.24032	1.1
125.09714	33.1
144.60750	1.4
152.99588	25.3
163.14499	1.3
169.68709	1.2
187.09769	42.0
187.11421	1.8
279.23291	17.9
291.95126	1.7
323.09018	6.0
334.50314	1.4
515.21173	1.4
603.33099	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23211	0.8
53.02870	0.8
59.01104	1.4
59.01383	34.1
60.61138	0.9
61.98830	5.1
66.11715	0.9
70.34969	0.9
71.01379	27.8
73.02972	1.1
74.91354	0.9
83.01393	2.0
85.02951	4.0
87.00866	6.8
89.02439	34.0
101.02420	16.0
104.77212	1.0
113.02437	13.1
119.03500	11.7
137.83575	1.2
143.03464	1.7
144.99310	0.8
149.33646	1.0
161.04527	2.2
179.05568	7.6
186.84840	1.0
195.50330	1.2
203.42104	1.2
234.30231	1.0
279.23309	100.0
286.05270	1.0
293.25009	3.8
315.99289	1.0
321.24448	5.2
323.09814	18.0
341.10956	39.1
356.18576	1.0
487.87817	1.2
555.14404	1.1
603.33966	27.3
603.42792	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94255	1.2
58.27047	1.2
59.01379	27.1
60.87980	1.3
71.01377	28.8
73.02951	8.3
74.02702	1.6
82.25075	1.4
82.95283	1.5
83.01400	3.1
84.15468	1.6
85.02947	6.3
85.66480	1.4
87.00867	27.4
89.02438	32.9
92.73511	1.7
99.00840	1.7
101.02441	19.8
103.81105	1.8
111.34639	1.5
113.02435	22.5
119.03494	9.6
125.06093	2.2
129.02034	1.6
136.21367	1.8
143.03497	2.1
159.03035	1.7
161.04565	3.0
169.47688	1.7
179.05632	6.2
265.25330	2.0
279.23322	100.0
293.24838	15.4
297.24377	6.7
321.24347	10.4
323.09842	30.3
333.24359	1.8
341.06772	2.0
341.10907	51.9
603.33917	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79354	0.4
59.01380	2.0
71.01383	2.1
85.02937	2.9
87.00877	4.8
89.02441	2.1
99.00874	0.4
101.02443	2.0
113.02454	4.6
114.08093	0.4
146.31190	0.4
150.08160	0.4
161.04541	0.6
276.83960	0.4
279.23322	100.0
323.09875	15.2
341.11053	0.5
436.61688	0.4
603.33960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01380	5.2
71.14287	0.8
73.02929	1.3
78.90387	0.9
85.02942	1.6
89.02445	1.6
92.82387	1.0
101.02437	5.5
113.02442	5.1
161.04579	1.1
212.60765	0.9
483.29745	13.3
501.31000	1.7
543.31897	43.9
559.32098	1.2
603.34625	14.4
627.56000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.4
71.10266	2.1
78.95901	70.4
82.45285	2.1
87.00870	100.0
121.47731	2.4
125.09755	18.5
130.60229	2.2
152.99605	20.2
187.09773	30.3
231.83199	2.5
244.21019	2.6
279.23172	17.6
448.01898	3.3
603.33075	45.4
603.42017	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03378	0.3
55.10406	0.3
58.39117	0.3
59.01383	12.5
61.69084	0.3
61.98830	0.5
66.91443	0.3
71.01376	2.6
72.59304	0.4
78.95917	0.7
85.02943	0.7
87.18286	0.4
89.02438	1.9
101.02421	2.0
106.50039	0.3
111.63971	0.4
113.02431	1.5
119.03464	0.6
119.62226	0.4
152.99521	0.5
161.04596	0.8
162.75258	0.4
199.26038	0.4
218.31447	0.4
263.11362	3.1
279.23309	100.0
281.12589	3.2
282.73734	0.4
543.35181	3.8
603.33270	0.7
603.43213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63612	2.1
51.82463	2.1
57.13420	3.1
59.01369	3.7
61.98830	2.4
63.84758	2.2
71.01375	10.1
78.01400	2.5
78.95921	2.5
79.02004	2.6
92.35085	2.3
96.96131	2.5
108.14489	2.5
112.86715	2.5
124.05978	2.5
130.18002	2.4
147.02975	2.5
220.14706	31.3
221.15474	100.0
236.10548	80.2
267.13385	2.4
293.17673	73.4
293.21103	3.7
309.20691	9.9
411.87875	2.4
482.73160	2.4
495.69846	2.8
549.80945	2.8
566.31213	2.9
603.30408	4.4
606.37482	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.7
63.80920	2.0
67.22381	1.8
78.91870	2.9
78.95893	3.1
111.04530	14.8
121.10203	2.9
136.05367	3.6
141.72075	2.4
152.04709	2.9
152.99580	2.6
153.12854	4.9
154.02881	2.1
155.10771	3.0
171.10269	12.6
183.10266	12.2
183.13907	27.4
195.13937	4.2
197.11786	11.2
211.13448	10.5
223.17076	10.2
235.17029	11.4
244.09787	2.3
247.16982	3.4
263.16507	4.9
265.18085	9.5
273.01038	3.0
273.04092	2.6
273.15045	9.5
275.20221	27.9
279.23312	37.5
281.17542	4.3
291.16068	17.5
291.19360	3.6
293.21240	93.2
309.17160	90.5
309.20688	10.3
320.30399	2.7
327.21695	5.9
419.24234	3.0
603.33264	4.2
603.42889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4063
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
51.72251	0.2
55.30013	0.2
58.59525	0.2
59.26114	0.2
59.94442	0.2
62.49148	0.3
65.44213	0.3
88.09570	0.3
96.33450	0.2
133.02969	0.6
134.03740	1.2
135.04459	0.5
137.02365	0.4
161.02446	11.5
178.02721	0.4
179.03438	1.2
191.24449	0.3
277.21759	0.5
291.19510	0.3
293.21182	1.2
309.20718	0.7
603.40637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08250	2.1
61.98842	3.2
66.27786	2.0
77.25480	2.0
78.95930	1.9
79.19110	1.9
81.03454	2.2
81.91451	2.0
83.05038	10.6
109.33114	2.1
121.10223	3.4
126.78499	2.9
134.78957	2.0
137.09691	19.8
141.43285	1.9
143.89880	2.1
151.35089	2.5
153.09158	3.4
155.10794	19.6
171.10265	32.4
193.12303	4.4
193.92676	2.1
247.20686	3.3
275.20319	17.8
281.79199	2.4
291.19708	32.9
293.21249	48.9
309.17249	4.6
309.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.4
71.62756	2.3
83.55286	2.8
127.97217	2.8
130.85445	2.5
250.41663	2.5
257.22598	3.2
301.21753	100.0
309.59174	3.4
457.34897	3.1
603.42810	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45440	3.7
68.01215	3.3
71.01391	3.4
78.95895	8.1
86.02457	41.0
87.00858	4.9
93.03474	4.7
96.04537	37.3
98.02481	3.7
101.20829	3.3
102.40274	3.0
112.04054	7.1
112.25227	3.2
112.77568	3.5
120.01253	22.5
120.53228	3.5
134.03761	28.3
140.03535	67.7
149.06033	5.7
155.13522	3.2
158.04578	17.8
158.92607	4.1
166.01457	15.2
168.71315	3.2
173.04547	100.0
184.02527	3.9
191.05641	59.4
193.05055	48.2
200.00209	4.3
202.03612	8.6
218.01251	44.4
236.02390	32.2
239.81438	4.1
287.40939	3.8
301.68570	3.4
367.10349	55.8
401.09171	6.9
488.12518	5.2
585.64954	5.0
586.12262	38.1
604.13922	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13134	1.3
52.81689	1.2
59.01384	100.0
71.01383	8.0
71.69080	1.4
89.02441	8.4
93.16660	1.4
96.24860	1.5
99.34311	1.7
101.02502	1.7
113.02412	2.2
117.03466	7.5
147.04527	2.0
149.92120	1.4
165.61952	1.8
179.05608	6.8
188.03595	5.9
191.03587	3.4
206.04570	9.0
294.07809	3.7
308.05667	34.5
323.08023	10.5
338.10477	15.3
354.09756	17.2
382.09372	82.2
465.55283	1.6
544.14667	9.0
601.39203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62094	0.6
54.30349	0.6
54.96280	0.6
57.43064	0.7
59.01381	7.3
60.74314	0.7
75.53667	0.7
84.90151	0.7
88.75471	0.6
110.18246	0.8
128.41220	0.7
162.87921	0.9
306.04276	1.0
308.05786	1.4
323.04510	0.8
324.05173	2.9
334.03711	8.2
338.06747	16.4
339.07477	4.0
349.06277	1.6
350.06522	0.9
352.04626	23.4
353.09189	4.4
354.09692	1.1
366.06079	5.1
367.07013	33.4
382.09375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.7
63.89689	1.4
79.01893	1.9
89.24335	1.2
120.11020	1.2
125.90562	1.3
147.04514	7.4
150.03207	5.3
171.04498	5.6
178.02719	6.2
183.08218	5.3
191.94868	1.2
210.06830	1.5
217.76491	1.1
226.06218	1.4
254.05991	1.6
283.09927	1.5
297.70343	1.4
320.09341	4.6
367.10678	2.7
382.10980	2.3
457.01517	1.5
502.17044	1.9
530.16327	8.4
604.19910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79515	0.8
56.54256	0.9
61.98828	2.0
62.05178	0.8
71.01379	1.3
76.05885	0.9
92.10055	0.9
99.00887	1.7
101.02509	1.0
115.10321	1.0
125.06067	6.3
134.44275	0.9
161.02454	1.8
169.05089	2.3
190.28609	1.0
216.05139	100.0
313.96207	1.2
629.20428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53994	0.4
55.98108	0.3
59.01353	0.4
62.11901	0.4
63.73497	0.3
66.30548	0.4
68.32207	0.4
85.18464	0.4
92.66055	0.4
97.44482	0.5
108.08164	0.9
121.05328	2.9
122.00462	0.4
136.07678	100.0
153.04436	0.5
180.06673	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55062	1.5
56.45923	1.2
61.84908	1.3
61.98834	100.0
62.52117	1.3
62.96046	1.2
64.86813	1.2
69.35416	1.3
162.41547	1.5
232.03989	1.6
294.43491	1.5
410.90790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98833	100.0
62.02920	0.6
94.30406	0.5
120.35911	0.5
123.30808	0.7
144.67102	0.6
190.42511	0.6
278.22275	1.0
402.80414	0.6
604.43054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60134	0.5
54.72181	0.6
55.59127	0.6
56.34064	0.5
59.28816	0.6
61.98836	100.0
78.54174	0.6
89.83501	0.6
97.74653	0.7
147.34460	0.7
190.83267	0.7
201.11253	0.8
206.14331	0.8
209.11745	1.0
221.77385	0.7
234.62114	0.7
238.14996	0.8
252.68097	0.8
267.02615	0.7
277.21729	2.9
278.22119	1.2
282.25455	0.7
325.20261	3.6
326.20639	4.2
425.36234	0.8
509.94458	0.9
604.43359	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24427	1.3
57.48828	1.2
59.01376	16.9
59.64875	1.2
60.92298	1.3
61.98826	1.5
62.86347	1.1
70.11801	1.3
75.47922	1.4
78.95908	16.4
95.41885	1.4
138.70738	1.4
152.99556	5.6
168.04324	3.4
224.06905	13.5
232.01532	1.4
242.08182	1.9
256.07236	1.5
305.24899	100.0
530.32574	95.3
604.36554	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.5
61.98833	2.5
68.07630	0.7
71.01376	0.8
78.95899	4.2
89.02443	2.8
91.91206	0.6
96.10162	0.6
96.84588	0.6
97.65101	0.7
101.84510	0.6
108.06085	0.6
111.78108	0.6
122.14016	0.7
129.84431	0.6
152.99538	1.2
168.04243	1.5
242.07962	3.7
263.25964	0.8
267.66220	0.7
279.23346	1.2
280.23508	0.9
305.24869	100.0
341.10995	2.7
342.11151	1.2
530.32581	68.0
554.32477	2.5
604.35956	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68986	3.3
56.86244	2.7
65.39829	3.3
68.72617	3.4
78.27623	3.0
79.92377	3.4
99.52685	3.9
111.93085	3.8
178.44974	3.2
225.22156	27.4
253.21928	4.6
271.22769	15.6
326.26993	6.1
437.15353	4.0
568.49548	90.1
604.47217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67965	0.5
55.01888	0.5
59.01378	9.5
60.19242	0.5
61.10964	0.5
68.99799	0.9
71.01378	9.3
72.99289	3.6
73.02948	0.6
75.00871	9.4
85.02936	12.3
87.00872	2.9
89.02433	2.4
91.04013	0.7
93.03478	0.6
95.01377	4.6
99.00874	9.1
101.02503	0.6
109.61742	0.6
113.02432	18.7
117.01950	1.4
120.49157	0.6
129.01933	2.3
134.03720	16.7
135.04515	3.0
149.06068	11.3
160.01692	0.7
161.02463	3.1
170.45564	0.7
175.03976	8.4
178.02721	3.8
179.03528	3.8
193.05063	46.6
231.05040	2.2
249.06175	21.7
253.07065	1.0
267.07043	16.4
301.07330	0.7
322.71521	0.8
425.11127	2.6
443.11969	19.5
605.17334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92655	1.0
55.11316	1.0
55.17026	1.0
56.10907	1.0
59.01369	8.6
61.05580	1.1
65.25894	1.0
68.53288	1.0
69.03434	1.0
71.01380	10.0
72.99301	1.6
75.00851	8.3
85.02939	8.3
87.00845	1.7
89.02424	2.4
95.01396	2.2
99.00858	7.3
107.94402	1.1
111.00871	1.8
113.02440	13.3
115.00352	8.2
120.01150	1.1
133.01433	15.7
134.01718	2.2
134.03726	11.4
135.04527	1.8
135.42348	1.3
149.06104	8.4
153.98157	1.1
161.02446	4.6
165.23489	1.2
175.03986	7.6
178.02705	4.9
179.03563	2.2
193.05049	39.2
231.05287	1.3
249.06108	14.4
264.28870	1.2
267.07037	13.1
335.49789	1.5
406.78510	1.3
425.10690	2.1
443.11728	16.8
444.15787	1.5
605.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06997	0.5
50.44735	0.6
57.03450	0.7
59.01383	8.8
68.99809	0.7
69.03460	1.1
71.01377	9.3
72.99301	3.9
75.00872	10.3
81.03484	0.7
85.02941	14.0
87.00865	3.0
89.02432	3.6
92.23119	0.8
95.01363	3.8
99.00871	9.5
103.00365	2.3
111.00902	1.3
113.02440	18.1
115.00346	2.6
117.01922	3.1
123.04469	0.8
129.01961	0.9
133.01445	1.0
134.03737	16.2
135.04512	4.0
148.05263	0.8
149.06082	12.4
160.01616	1.1
161.02454	2.6
175.02542	1.7
175.03955	11.5
178.02718	5.4
179.03500	3.9
189.04060	0.8
193.05063	53.2
197.04561	1.2
198.56648	0.7
206.71245	0.6
207.05095	0.7
228.36008	0.6
231.05193	1.1
249.06108	17.5
253.07133	1.3
267.07068	17.3
292.89355	0.7
350.95859	0.7
381.11761	0.8
423.59967	0.8
425.11075	2.8
443.11966	17.5
500.25357	0.7
605.17322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
71.01377	17.5
72.33778	1.1
89.02416	1.7
90.62251	1.2
101.02466	3.1
113.02434	1.6
114.93407	1.8
115.00358	24.0
121.05093	1.5
164.04800	20.2
179.07132	2.3
190.02739	31.1
205.05074	73.1
223.06123	18.0
265.07193	4.8
280.50854	1.3
310.86026	1.3
489.16208	100.0
533.01563	1.7
597.20099	1.4
631.98151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61400	1.1
51.14581	1.3
57.03464	1.3
59.01378	7.4
71.01372	8.0
72.99300	1.6
75.00844	10.8
85.02940	11.9
87.00846	3.0
89.02419	1.5
95.01335	1.4
99.00874	10.2
113.02450	19.5
117.01922	2.2
117.94218	1.6
125.48703	1.5
129.01933	1.8
134.03751	17.2
135.04539	1.6
149.06078	8.8
161.02461	3.3
175.04034	11.1
178.02686	6.7
179.03529	2.1
189.62962	1.6
193.05070	48.4
249.06172	19.3
267.07108	21.5
377.12448	1.7
383.13245	3.0
383.29086	1.9
443.12103	24.1
587.25983	1.9
605.17322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18583	0.7
55.11090	0.8
57.03420	1.0
59.01385	13.9
60.66515	0.8
71.01365	8.7
72.99299	1.6
75.00863	11.0
83.01360	1.0
84.76031	1.0
85.02950	16.5
87.00864	4.9
89.02439	4.2
94.35468	0.9
95.01358	1.9
97.02937	1.0
99.00879	8.5
103.00356	1.1
106.29029	0.9
111.00848	1.2
113.02447	17.9
115.00383	1.8
116.92825	1.5
117.01927	1.6
119.05030	10.9
129.01941	1.8
134.03734	16.7
135.04517	4.3
149.06049	12.5
160.01639	1.2
161.02443	4.9
163.04002	20.2
175.02528	1.7
175.03947	12.0
178.02696	3.8
179.03491	3.5
183.11397	1.0
191.01952	2.0
193.05070	46.9
207.05167	1.0
209.03008	6.1
222.78088	0.9
227.05658	1.3
227.10533	1.8
227.13971	4.0
231.04977	1.9
235.06122	1.2
249.06111	20.3
253.07312	1.3
267.07016	19.5
425.11008	4.0
443.11908	18.9
605.17310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77830	0.8
52.53546	0.9
57.03437	1.3
59.01387	10.9
69.03441	1.0
71.01389	9.0
72.99303	4.3
73.02929	1.7
75.00869	11.3
83.01380	1.0
83.15868	0.9
85.02933	13.0
86.13325	1.0
87.00858	1.9
89.02429	4.0
92.22565	1.5
93.03415	2.1
95.01340	2.3
99.00872	12.3
102.29912	1.1
103.00356	1.4
113.02446	21.2
116.92854	8.1
117.01942	1.9
119.04994	1.8
129.01939	2.0
133.81171	1.3
134.03732	17.4
135.04495	2.2
137.02454	15.6
149.06082	14.0
150.03226	7.0
151.03970	1.5
157.01338	1.1
161.02406	4.3
161.63942	0.9
163.04102	7.0
163.05209	1.0
165.05547	22.5
175.02615	1.5
175.04005	7.7
178.02620	4.5
179.03418	3.8
193.05061	50.6
195.06694	1.9
231.05052	1.7
249.06152	20.3
253.07187	1.4
267.07083	18.7
281.06580	1.6
383.13568	25.0
409.14990	3.9
425.10977	4.8
426.15323	1.3
443.11942	17.8
533.87494	1.3
557.19971	1.4
596.46082	1.1
605.17230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79195	0.9
53.62505	0.9
54.48952	0.8
59.01382	1.9
61.31043	1.0
61.37093	0.9
71.01376	11.1
73.02944	4.1
85.02946	6.4
89.02415	1.2
101.02443	8.7
106.30273	0.9
108.02168	7.2
113.02444	20.2
115.03996	2.1
121.02905	2.3
122.03733	100.0
123.04519	34.0
126.00437	1.2
130.47046	1.0
135.04506	4.8
137.06097	4.4
152.01167	15.1
159.04616	0.9
161.04578	8.0
165.04187	1.3
165.05550	13.7
167.03502	72.4
177.05557	9.2
186.75883	1.0
191.05626	5.4
193.95529	1.0
221.04611	1.9
239.05673	1.5
263.07861	1.8
285.09827	2.1
329.04886	2.7
329.08835	83.4
510.63809	1.2
605.18304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.50892	1.7
62.39248	1.7
63.75676	2.1
64.27354	1.9
67.95837	1.9
68.12261	2.4
69.10032	2.0
70.01829	2.1
71.01378	32.7
73.02936	67.7
73.03307	3.9
80.96501	2.7
81.34932	2.1
83.01393	13.0
85.02936	5.3
89.02447	15.5
89.45253	2.1
91.91962	2.1
101.02442	71.6
113.02444	24.9
119.03485	4.7
131.03468	5.0
143.03470	4.7
149.04520	12.9
155.03514	3.6
161.04543	25.3
164.06978	2.3
187.80186	2.3
197.11847	2.8
204.07901	3.6
221.06645	10.9
225.00899	3.4
243.12506	3.7
252.71983	2.2
283.05780	2.6
294.09106	13.4
309.11362	4.9
323.09229	3.3
324.09976	7.8
339.12317	24.6
501.17740	14.4
561.19305	3.6
605.22284	5.0
605.31024	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	5.2
59.01381	100.0
60.03437	2.6
60.51654	2.3
60.64223	2.2
64.74587	2.5
64.75641	2.3
71.01385	31.7
71.59515	2.6
72.99304	6.3
73.02947	65.9
74.42825	2.4
76.39425	2.8
80.96548	3.0
83.01385	14.7
85.02946	6.0
89.02445	12.0
95.34259	2.6
95.45408	2.9
101.02432	51.9
102.07642	3.1
113.02448	36.6
119.03490	5.2
131.03488	4.7
143.03552	4.9
161.04573	20.2
221.06696	3.7
237.14928	3.2
242.78723	3.1
291.18552	3.1
294.09109	19.9
309.11084	3.5
323.09216	5.4
324.10098	11.4
329.35187	3.9
339.12421	28.3
501.17905	11.1
605.22400	6.1
605.31195	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78082	1.8
58.82478	1.8
59.01383	40.0
68.92693	1.8
71.01379	29.2
73.02947	9.3
80.45027	2.0
83.01364	2.4
85.02946	14.7
89.02441	15.9
98.13691	2.1
99.48424	2.1
101.02448	20.4
105.01946	3.0
108.02264	1.9
113.02457	18.6
116.78960	2.1
119.03389	2.3
123.04565	4.3
143.03413	2.6
156.23465	2.3
191.05600	3.6
298.09753	2.5
307.09900	2.3
311.09253	3.9
324.10077	11.6
339.12418	14.1
340.37378	2.7
342.11197	24.9
357.13443	57.6
400.36990	2.2
488.29163	2.1
501.17859	78.5
519.18896	23.1
561.19861	100.0
563.50415	3.0
605.22986	3.6
605.31592	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46452	0.4
56.54531	0.4
59.01383	1.1
59.04712	0.5
71.01378	3.2
73.02948	0.7
85.02952	1.0
93.03430	5.6
99.00854	1.0
101.02435	5.7
101.06113	1.1
103.62027	0.5
113.02437	3.0
116.92892	0.8
119.00443	0.5
126.11436	0.5
136.01646	1.0
137.02446	73.7
146.04175	0.5
150.03165	2.1
161.04546	2.2
165.05595	4.3
179.03572	0.8
193.05092	1.1
212.88159	0.5
221.04605	1.1
226.40172	0.6
263.11182	0.7
281.06714	4.6
353.12369	2.3
383.13519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46452	0.4
56.54531	0.4
59.01383	1.1
59.04712	0.5
71.01378	3.2
73.02948	0.7
85.02952	1.0
93.03430	5.6
99.00854	1.0
101.02435	5.7
101.06113	1.1
103.62027	0.5
113.02437	3.0
116.92892	0.8
119.00443	0.5
126.11436	0.5
136.01646	1.0
137.02446	73.7
146.04175	0.5
150.03165	2.1
161.04546	2.2
165.05595	4.3
179.03572	0.8
193.05092	1.1
212.88159	0.5
221.04605	1.1
226.40172	0.6
263.11182	0.7
281.06714	4.6
353.12369	2.3
383.13519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42817	0.5
51.85126	0.6
52.11552	0.7
57.24898	0.7
59.01383	100.0
71.01378	11.5
73.02937	4.5
83.01402	0.9
85.02938	5.0
89.02455	1.0
99.00883	1.1
101.02436	7.5
113.02450	4.4
154.85890	0.8
159.03023	1.3
161.04585	8.5
181.05098	3.3
182.05910	6.1
183.13898	0.9
196.07407	1.1
197.08244	4.5
262.27792	0.9
347.10974	1.1
353.10480	1.7
383.15176	1.5
605.22693	4.4
612.12592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99753	0.9
51.76338	0.8
57.10707	0.8
58.37380	0.8
59.01385	4.0
60.90902	0.9
71.01387	4.4
85.02931	2.3
93.03477	1.1
101.02442	2.3
102.14525	1.0
105.95834	0.9
111.04530	1.1
115.04021	3.3
119.05015	54.2
134.33482	0.9
136.07683	3.7
145.02962	19.4
163.04007	100.0
171.10335	1.2
179.67030	1.0
189.05533	1.9
193.05161	1.1
237.75055	0.9
260.19272	1.3
283.06253	3.7
285.73676	0.9
340.09491	1.6
348.16183	1.2
355.39502	1.0
507.18726	70.6
605.22443	6.6
605.32196	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20920	0.5
56.95974	0.6
59.01382	100.0
63.32391	0.5
69.79060	0.6
71.01378	9.0
73.02937	3.6
83.01406	1.0
85.02950	6.2
89.02428	0.7
93.70849	0.6
99.00857	0.8
101.02450	7.1
104.52527	0.6
113.02438	4.5
127.95471	0.6
130.69865	0.6
161.04562	8.9
192.04295	0.7
206.09657	0.8
353.10263	0.9
419.46674	0.7
569.64630	0.7
605.33020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66072	0.5
55.91227	0.6
56.17522	0.7
59.01379	3.6
71.01374	3.6
72.99300	24.4
73.02943	0.6
78.12215	0.6
80.17134	0.7
80.49218	0.6
81.61499	0.6
85.02959	3.0
89.02401	0.7
101.02427	1.0
103.04013	0.8
113.02433	0.8
115.67591	0.6
117.03461	0.9
119.05019	47.7
145.02953	17.8
159.02997	1.4
163.04007	100.0
163.56195	0.8
189.05527	3.8
201.11351	1.4
265.12430	0.9
283.06122	3.0
340.54745	0.7
447.26117	2.8
488.63025	0.7
507.18741	74.8
605.14056	4.7
605.22870	4.5
605.31512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.228
Annotation	Stepinonine
Peak:m/z	Relative Intensity
53.08400	0.6
53.73602	0.6
56.03695	0.7
59.01366	1.2
61.98813	1.0
71.01370	1.6
72.99302	1.2
78.95908	3.6
84.93880	1.2
89.02427	1.4
96.17778	0.7
99.00880	0.8
99.92564	12.8
100.93359	16.1
115.92073	23.2
116.92850	100.0
142.94402	4.0
152.99605	1.1
156.95938	1.2
159.23280	0.8
166.94444	1.0
170.93918	10.9
184.95505	1.8
191.87354	0.8
210.71184	0.9
247.15692	0.8
255.23380	8.0
256.93887	1.6
280.26877	0.8
281.25015	2.8
341.10898	3.0
371.15329	0.9
418.84555	0.9
587.21741	3.5
605.22845	66.5
605.33832	3.9
605.43469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2286
Annotation	Stepinonine
Peak:m/z	Relative Intensity
51.57928	0.5
54.93983	0.5
59.01371	2.7
89.02418	0.5
99.08160	0.7
101.02449	0.9
102.71382	0.6
120.99649	100.0
145.08702	10.1
329.74860	0.6
391.77252	0.7
540.18304	0.6
605.22778	14.4
605.31500	1.6
620.74487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2282
Annotation	Stepinonine
Peak:m/z	Relative Intensity
50.40423	0.5
51.81014	0.5
53.14671	0.5
54.23594	0.5
59.01377	3.3
69.03418	0.6
71.01377	4.4
72.21576	0.5
73.02940	2.3
75.97849	0.5
78.98589	5.1
79.95737	15.6
80.96516	40.7
81.03451	0.7
85.02962	2.8
87.00895	2.2
94.98087	10.9
97.02954	1.0
100.41074	0.6
101.02449	4.1
106.98067	2.7
113.02444	1.1
122.97567	1.2
125.02431	3.5
125.09765	0.8
129.94994	0.5
134.97585	4.5
135.08176	1.2
136.99120	1.3
148.99139	7.1
152.98621	8.0
164.98637	13.8
167.00291	0.6
171.10255	0.8
183.14082	0.6
206.99721	5.1
225.00777	20.5
241.00323	2.2
249.15042	0.9
253.09189	0.9
291.19809	0.8
299.04221	3.9
309.20752	1.0
341.05579	0.8
371.06339	3.8
385.08176	1.3
399.09622	0.8
413.11334	0.8
547.18542	3.7
561.32782	1.0
605.22833	100.0
608.86969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2419
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.43232	0.3
52.00531	0.3
58.57276	0.3
78.95905	4.7
103.02924	0.4
119.95449	0.3
137.15768	0.4
152.99539	1.3
159.07442	0.3
171.10149	0.6
183.13887	0.9
183.79036	0.3
187.09872	0.6
195.13882	0.5
211.13419	0.7
281.24866	2.8
295.22797	2.1
309.20813	0.7
366.16196	0.4
444.19882	0.5
457.20459	2.4
458.17114	0.5
459.17386	3.5
470.20871	1.6
471.18744	1.4
472.19125	0.7
473.19781	8.8
473.25745	0.6
475.21561	0.5
485.18604	1.3
485.23862	2.2
486.21030	7.6
487.21545	2.3
496.19040	1.7
499.17957	4.0
501.24081	5.0
502.20258	0.6
511.21567	3.9
513.19324	5.1
514.20203	13.9
518.19788	2.5
528.21985	0.7
529.22534	100.0
532.21289	1.5
532.70135	0.4
533.22375	1.5
561.25464	0.4
573.21649	5.2
605.24866	7.3
605.34698	3.7
605.43536	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62079	0.3
58.99686	0.4
78.95901	1.9
102.30438	0.4
103.59062	0.5
152.99593	0.7
169.12494	0.5
171.10263	2.1
211.13420	2.0
227.34952	0.4
235.17064	0.6
255.23409	0.8
275.20163	1.6
277.21896	0.5
293.21347	3.4
295.22818	1.6
309.20743	0.6
311.22446	3.2
421.73849	0.4
457.20386	2.6
459.18329	3.5
470.20908	2.0
471.18240	1.6
472.18942	0.9
473.19739	9.4
475.21402	0.9
485.23373	3.0
486.21332	7.1
487.21161	0.8
496.19089	1.8
499.17737	3.5
500.22662	0.8
501.22855	4.4
502.20163	0.7
511.21796	3.1
513.19501	4.1
514.20050	13.6
518.19855	0.9
527.21265	0.7
528.21954	0.6
529.22510	100.0
532.21130	1.4
533.22211	0.9
535.49774	0.5
561.24603	0.8
573.21497	4.6
605.24396	8.3
605.35181	1.4
605.44354	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31360	1.7
75.40456	2.2
81.73910	1.7
85.03950	1.6
146.67982	1.9
220.33527	2.1
288.83499	2.0
401.32312	2.2
415.23679	2.2
445.20386	100.0
459.21893	22.8
460.22580	7.4
504.21713	50.3
518.23438	9.0
519.24139	29.0
560.58154	2.6
573.25250	3.2
605.17688	2.9
605.27716	85.3
605.42767	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
63.83097	0.4
72.99300	8.0
73.35513	0.5
75.00870	12.9
82.01023	0.4
129.09175	1.0
132.91696	0.4
175.09760	100.0
245.48409	0.5
351.43921	0.5
409.23468	0.5
540.30554	0.5
605.31653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03452	1.1
57.35265	0.8
59.01385	18.6
69.02518	1.1
71.01006	2.0
71.01381	29.9
73.02950	10.4
83.01402	5.6
85.02965	14.0
89.02438	8.6
97.97537	1.0
99.00871	2.6
101.01782	1.2
101.02444	28.0
113.02458	12.9
119.03507	1.2
121.37759	1.1
129.01894	1.0
141.15074	1.0
159.02863	1.5
161.04562	8.9
288.52155	1.3
383.24365	2.2
545.29749	100.0
596.58319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09060	2.0
59.01384	100.0
71.01370	27.5
73.02946	14.0
73.50642	2.7
75.00879	2.5
77.48237	2.5
83.01377	3.7
85.02950	13.1
87.00858	10.6
87.04535	5.9
89.02448	23.5
90.81422	2.7
92.22549	4.9
95.01380	3.5
101.02434	33.4
105.01241	4.1
105.01931	73.1
113.02444	25.0
118.01445	2.7
118.42861	2.6
119.03498	10.6
121.05720	2.4
130.56432	2.4
138.51120	2.6
140.98303	2.3
171.10310	10.0
172.68280	2.6
183.10097	2.9
208.07596	2.8
215.12946	18.4
246.05429	2.6
341.32245	3.2
348.48904	2.7
353.10263	3.4
401.44110	3.1
440.18619	2.9
501.30743	93.8
519.31940	14.9
561.32886	41.5
605.18665	3.4
605.32861	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3343
Annotation	Caucasicoside A
Peak:m/z	Relative Intensity
51.29266	1.9
54.65381	2.4
56.59422	2.5
59.01387	60.2
65.04933	1.9
71.01378	26.6
73.02937	3.8
73.91562	2.7
83.01384	2.5
85.02966	10.7
89.02441	30.5
101.02446	25.6
113.02417	12.0
119.03496	3.6
149.02380	2.5
171.72298	2.8
197.77031	2.6
225.09120	2.8
241.12346	3.4
254.13103	10.1
267.13928	3.2
268.14722	2.9
272.14142	5.6
279.13724	2.9
281.15497	18.9
282.34183	2.8
340.20712	4.4
407.25821	5.6
425.27045	10.4
520.26697	44.9
522.28296	2.9
571.80804	2.6
575.32483	4.2
587.32404	70.0
605.33514	100.0
625.71661	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86740	0.6
57.06672	0.5
59.31301	0.5
70.53865	0.6
74.31097	0.5
78.95905	100.0
87.00894	0.7
96.96948	2.9
113.64452	0.6
113.75401	0.7
125.09718	10.5
138.13127	0.6
152.99597	26.4
187.09775	20.4
276.97049	0.6
281.24890	47.4
323.09174	1.1
362.90155	0.6
605.34778	62.6
605.43536	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60596	1.3
60.50817	1.7
78.95899	100.0
87.00863	3.1
91.36797	1.6
92.22439	1.6
96.96935	2.0
105.66909	1.5
121.15462	1.7
125.09708	16.3
152.99582	24.9
171.10222	6.5
187.09792	23.3
205.33524	1.8
211.13445	2.3
275.20190	9.6
281.24875	45.1
293.21216	12.7
295.22787	2.3
311.22363	7.3
586.95129	2.5
605.34595	64.4
605.44360	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.8
66.11389	2.0
71.01376	25.7
75.50819	2.3
79.51567	2.2
85.02994	3.0
87.00856	5.3
89.02438	40.4
92.22899	2.4
101.02450	17.9
105.56230	2.2
113.02445	16.8
119.03499	14.0
128.04369	2.3
150.45361	2.3
163.20828	2.6
179.05600	4.8
220.73520	2.3
237.44612	2.8
281.24866	100.0
295.26505	3.1
323.09991	16.8
341.10919	32.5
564.56525	2.8
605.35376	31.0
605.43933	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.8
61.98829	9.6
65.86700	1.5
67.95155	1.5
70.52696	1.7
71.01379	21.8
71.67684	1.7
73.02947	6.9
78.95927	1.7
83.01378	8.9
85.02956	4.0
87.00877	32.4
89.02436	26.5
95.01347	2.0
99.00872	1.7
101.02435	19.0
113.02445	21.2
119.03493	9.9
141.01933	2.3
143.03514	2.1
161.04532	3.3
165.22362	1.9
165.49211	2.3
171.10231	2.2
172.97954	1.6
179.05563	6.9
179.09113	1.7
212.81386	1.7
280.02557	1.6
281.24899	100.0
295.26437	47.7
313.84897	1.7
323.09946	26.0
323.25876	10.3
341.10992	47.5
341.14835	2.2
414.27704	1.7
551.08087	1.6
605.35626	41.6
605.43945	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
71.84636	0.3
72.53372	0.3
104.46532	0.3
106.03485	0.3
113.38975	0.3
134.03751	0.6
135.04517	0.6
161.02441	14.7
178.02661	0.5
179.03485	1.3
186.79291	0.3
295.22983	0.4
561.01563	0.3
605.38586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37431	2.5
59.12068	2.4
63.01762	2.7
63.64481	2.5
63.86281	3.0
64.64158	2.9
79.23862	2.7
83.18119	2.8
88.55199	2.5
95.20844	2.9
133.02988	3.3
134.03770	4.3
160.01624	6.7
161.02399	13.4
167.05664	2.5
175.04039	67.6
178.02861	3.0
193.05142	4.5
355.32285	6.4
397.95041	2.9
415.43927	3.3
429.30420	5.5
499.34344	3.3
513.35748	5.4
517.35071	3.7
531.36938	19.4
590.38739	3.7
605.40704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47310	0.7
60.47775	0.8
60.87361	0.9
62.39615	0.7
64.76682	0.9
71.65475	0.9
75.63374	0.8
90.82058	0.9
105.03394	1.5
107.78032	0.8
108.66553	0.9
112.56323	0.9
133.02945	8.9
134.03682	5.6
135.04509	0.9
137.02292	1.3
149.06001	1.0
160.01668	8.7
161.02466	16.1
161.05986	1.5
162.03185	1.7
175.03996	66.7
177.01903	1.6
178.02638	1.7
179.03387	1.2
193.04889	5.0
232.49628	0.9
233.08104	1.1
267.08469	0.9
289.14157	1.1
350.23444	5.4
351.23752	5.9
355.32294	11.8
373.23627	3.4
393.24854	1.2
401.27008	1.3
429.29718	4.6
499.34140	10.7
513.36133	9.4
517.34808	5.5
531.37024	19.9
590.37695	3.8
605.40076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09059	5.7
53.51513	5.8
54.52153	5.4
56.12507	6.1
59.01392	5.9
61.98823	12.6
68.38413	6.0
75.97255	7.3
90.80568	7.7
92.16231	7.0
97.85783	7.0
106.32684	8.6
118.28010	7.2
144.04530	8.4
146.19753	7.2
171.10263	48.5
197.11887	12.9
273.95303	7.3
275.20120	8.2
293.06909	7.7
293.21219	48.8
311.22284	100.0
337.76727	8.3
392.20422	7.6
609.37299	9.5
624.58954	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80825	2.8
91.23821	3.6
137.09714	8.3
211.50970	3.2
217.33485	3.8
260.20096	3.1
271.54007	3.4
293.21268	100.0
311.22263	5.3
523.21161	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0755
Annotation	Uridine-5'-diphospho-N-acetylgalactosamine disodium salt
Peak:m/z	Relative Intensity
61.35635	0.8
63.84132	0.9
77.71135	0.8
78.95901	92.1
80.60316	0.9
83.92131	1.0
94.92273	1.2
96.38142	1.0
96.96957	22.3
111.01318	1.5
111.02004	17.1
158.92532	61.3
162.98036	1.3
174.98001	4.7
176.93582	20.0
192.98970	1.0
246.01909	1.3
260.95670	2.4
269.68362	1.2
272.95737	31.0
282.03857	26.1
291.77161	1.2
300.04910	3.8
305.01682	2.4
309.10449	1.1
323.02811	4.2
362.00543	4.8
384.98386	13.8
402.99661	3.6
483.60773	1.1
581.92047	1.1
606.07544	100.0
609.34753	1.2
616.09668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25631	1.2
62.51974	1.1
74.55680	1.1
75.31098	1.1
78.95903	85.4
96.96964	21.4
109.35040	1.1
109.56182	1.2
111.01994	14.1
129.01506	1.2
158.92538	54.2
174.98042	5.1
176.93646	15.5
272.95755	35.8
282.03915	23.2
305.01575	2.3
323.03098	1.9
331.44797	1.2
384.98633	9.9
606.07526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84144	0.4
59.01378	2.9
61.98831	100.0
70.04726	0.4
71.97279	0.5
72.36234	0.4
80.16671	0.5
83.27238	0.4
84.31834	0.4
87.91162	0.4
89.05753	0.4
94.25371	0.4
103.67488	0.5
108.99798	0.5
120.99654	9.8
180.07466	0.6
299.10306	0.6
342.08752	0.6
407.89679	0.5
606.22968	0.8
606.32507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2145
Annotation	Torin 1
Peak:m/z	Relative Intensity
51.96899	0.6
67.68555	0.7
91.31527	0.8
109.17738	0.8
122.73944	0.8
173.06067	1.3
174.91762	0.8
180.04311	4.3
185.09801	1.4
233.50700	0.8
269.01025	1.6
293.06931	0.9
294.07733	0.9
308.09329	4.4
309.80960	0.9
320.09225	4.2
334.10834	1.9
335.11707	3.3
346.07202	1.0
352.93277	1.1
358.10999	1.0
361.09598	1.9
367.10654	4.1
372.12399	1.9
376.11740	0.9
386.14435	1.3
396.12540	1.1
398.10324	0.8
399.11185	1.1
400.12189	6.0
414.13409	3.7
415.14398	1.6
426.09915	2.9
428.15710	1.2
441.12418	1.6
456.14609	5.0
458.12369	1.2
489.15933	1.0
490.16919	1.9
504.18454	8.2
514.17041	1.1
517.15265	6.8
532.17657	25.3
546.19208	3.9
547.19867	3.1
562.22723	3.0
606.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	80.0
71.01387	71.5
72.28851	42.6
78.16647	52.7
91.70457	47.3
93.03696	41.1
145.49753	50.6
161.04565	100.0
606.21301	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82019	0.7
71.01385	0.8
73.02937	1.1
73.42632	0.8
78.64871	0.8
88.00529	0.7
92.23184	1.0
101.02438	10.1
147.04539	8.5
164.07175	100.0
206.08183	1.7
236.09303	18.1
254.72382	0.9
258.00037	0.9
326.12421	13.6
356.92557	0.8
444.15536	0.9
587.34351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65491	2.5
64.53370	2.2
72.69160	2.0
87.91863	2.2
124.41557	2.3
125.06091	3.5
132.03035	3.8
169.05014	9.5
170.05974	2.3
173.04572	2.8
216.05153	100.0
216.88072	2.5
264.91824	2.6
384.13998	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3868
Annotation	Roseocardin
Peak:m/z	Relative Intensity
55.57147	0.7
59.01384	11.3
60.11367	0.8
63.31244	0.9
63.95169	1.0
71.01382	6.1
78.95889	1.3
83.05013	1.1
88.04013	1.2
89.02439	6.4
101.02444	5.0
111.08158	2.3
113.02462	1.8
113.06067	1.5
123.51612	1.0
129.05568	5.2
154.08717	1.9
155.07185	4.6
157.08681	5.4
172.09819	4.6
173.05042	0.9
200.09267	4.2
203.72702	0.9
225.22276	11.1
245.43422	1.0
253.21765	1.4
271.16370	1.0
271.22894	4.1
292.62381	1.1
306.24527	1.6
312.25635	1.0
324.25397	1.6
382.33548	1.2
408.31247	1.9
426.32489	10.6
441.72314	1.0
444.33221	2.2
606.38702	100.0
609.28326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02831	0.9
57.03457	1.2
62.40599	0.9
66.78796	0.9
67.94383	0.9
78.95921	4.3
83.05013	1.8
85.85533	1.0
92.22425	1.8
97.06608	1.8
106.05986	1.1
107.67336	1.1
111.08147	61.3
122.68619	1.1
125.09709	19.4
128.10806	2.4
129.04677	1.0
152.10844	4.0
152.99631	1.6
159.87892	1.2
171.10254	1.1
172.09795	65.2
172.11287	2.2
186.11375	20.5
256.23798	1.2
258.57758	1.0
264.19693	1.4
270.49442	1.1
280.26627	1.6
308.18747	2.2
325.21365	36.0
519.89117	1.1
606.48785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.5
60.38716	0.9
66.12058	0.9
66.66222	1.0
71.01388	4.9
73.02942	1.1
75.24092	0.9
81.03448	5.8
83.05040	4.4
89.02435	10.3
93.03436	2.3
101.02444	6.5
109.02941	1.4
111.04508	44.7
111.97513	0.9
113.02438	2.3
119.03503	5.1
127.04007	100.0
128.53967	0.9
134.03748	4.3
136.01663	13.0
137.02495	7.1
138.39903	1.0
149.06039	7.1
150.03241	6.6
151.02814	1.7
151.04010	37.4
151.05219	1.9
155.03499	67.4
161.04497	1.4
165.05586	19.6
179.05653	8.2
187.56720	0.8
191.98972	1.0
193.05054	2.0
195.04985	1.0
195.06624	5.0
199.02496	71.9
221.06667	2.0
252.04225	3.6
260.42032	1.0
284.06955	2.2
298.44720	1.0
298.51505	1.2
299.09302	8.2
304.14047	0.9
341.10870	4.6
351.69687	1.2
359.11154	1.9
407.13522	72.1
416.84073	1.4
417.82361	1.0
447.73584	0.9
607.17493	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
59.26804	1.1
61.28360	1.0
62.36590	0.9
74.80246	1.3
74.86250	1.0
81.03455	6.0
83.05038	2.5
93.03434	5.0
106.30129	1.2
111.03764	2.2
111.04514	46.3
127.04009	100.0
134.03766	4.5
136.01656	10.7
137.02415	7.9
149.06081	7.8
150.03267	5.4
151.04007	38.0
155.03499	62.2
165.05560	17.2
170.51936	1.2
180.04237	1.7
181.05028	1.3
193.05034	1.3
195.06625	2.4
199.02502	63.6
217.03606	1.9
236.04726	1.3
245.52902	1.3
252.04401	2.5
255.06876	1.4
267.06595	1.5
284.06915	5.4
299.09247	4.7
340.17651	1.3
359.11420	1.3
374.66025	1.4
407.13535	64.4
429.08408	1.3
607.15979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13541	0.7
53.61454	0.7
56.12126	0.7
59.01378	3.7
71.01369	1.6
72.99305	22.7
81.03438	0.8
83.05028	31.1
85.02956	1.2
87.00851	1.3
89.02450	3.4
93.03439	1.0
101.02446	1.7
109.02933	1.3
111.04513	25.3
113.02475	1.1
115.04020	13.0
115.32501	0.7
117.03472	1.4
119.05010	2.9
127.04009	79.5
129.05588	9.5
137.02431	4.3
145.02959	31.0
151.04094	1.3
155.03506	56.8
159.96765	1.1
163.04027	6.2
171.02985	4.3
189.04005	3.0
199.02509	25.7
217.03543	100.0
239.29767	0.8
407.13486	1.2
445.15100	23.6
485.33047	1.0
564.41150	1.0
587.55841	1.0
607.16943	4.7
607.27606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91562	1.0
59.01386	5.1
71.16295	1.1
72.99304	16.6
81.03442	2.6
81.98187	1.2
83.05032	18.9
93.03403	1.7
97.44880	1.3
109.02915	1.3
111.04517	38.0
115.03999	8.7
127.04012	100.0
129.05580	2.6
136.01678	3.4
137.02432	7.8
145.02966	8.1
149.06070	5.7
150.03178	1.8
151.04018	21.0
155.03510	69.9
165.05569	10.0
167.22636	1.5
171.02910	2.3
176.92540	1.4
195.06651	2.5
199.02498	59.5
212.08824	1.4
217.03548	79.1
238.91022	1.6
299.09323	2.6
326.27960	1.4
368.80078	1.5
407.13580	34.4
445.15134	2.5
607.16913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1678
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.35151	0.3
90.81564	0.4
93.87392	0.4
96.96018	0.8
111.00902	0.7
145.02985	0.5
155.03543	0.5
173.04509	0.5
184.09836	1.0
191.05617	0.5
217.03391	0.6
230.70743	0.4
246.20978	0.5
266.78824	0.5
284.03287	89.0
299.05637	100.0
425.16956	0.4
607.16699	28.7
607.26428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1686
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.10958	0.3
59.01382	1.5
70.01911	0.3
73.69588	0.3
80.96516	0.8
85.02934	0.4
89.02409	0.5
89.65745	0.3
94.98112	0.3
101.02464	0.7
105.71078	0.3
113.02435	0.4
120.25673	0.3
120.99642	1.5
121.97149	0.3
136.98810	0.5
164.98631	0.4
190.02724	1.6
205.05121	0.5
210.43208	0.3
225.00806	0.4
227.07188	0.7
240.04240	1.5
255.02965	0.4
255.06880	0.4
256.03812	0.5
283.02609	0.4
284.03287	28.4
298.04694	0.7
299.05643	100.0
396.87912	0.4
403.19745	0.3
563.31866	0.4
607.16846	7.9
607.24835	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.6
63.66586	0.4
64.75207	0.4
71.01374	4.1
72.99301	0.7
73.02937	0.7
74.71828	0.4
78.95872	0.5
87.00849	0.6
89.02431	5.0
92.23124	0.6
96.96956	2.7
97.78798	0.5
101.02422	2.7
108.02151	6.2
113.02424	2.1
114.02081	0.5
115.04041	1.0
119.03497	3.4
122.03737	8.4
123.04505	10.9
131.04591	0.6
133.53983	0.5
135.04529	0.7
143.03464	0.5
151.03998	0.6
152.01155	17.6
161.04546	0.6
165.05548	0.6
167.03494	100.0
179.03587	0.6
179.05630	3.2
189.83093	0.5
194.94501	0.6
197.04578	2.1
231.08742	2.2
248.44057	0.5
329.08798	14.4
329.12460	0.7
509.13486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37786	0.5
59.01375	3.1
62.44816	0.5
71.01365	3.4
74.96951	0.6
75.00856	0.6
87.00869	0.7
89.02429	1.1
90.77240	0.5
101.02445	2.1
109.02943	17.2
121.02933	3.7
123.04507	2.4
130.48769	0.7
131.03477	1.3
133.01439	2.4
135.04553	0.7
143.03427	1.0
149.02437	7.8
149.06154	0.9
151.03973	3.0
165.01942	7.2
166.02702	7.7
167.03490	19.7
181.05103	2.4
191.05701	5.8
200.99014	0.6
205.07187	1.4
221.04587	1.2
228.05400	0.7
248.99547	0.7
329.08875	6.3
343.10461	1.0
357.97784	0.7
423.29443	0.6
457.13452	2.7
461.12991	3.3
475.14621	33.9
475.21527	1.3
607.18872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1894
Annotation	Dimethoxyscytonemin
Peak:m/z	Relative Intensity
51.37786	0.5
59.01375	3.1
62.44816	0.5
71.01365	3.4
74.96951	0.6
75.00856	0.6
87.00869	0.7
89.02429	1.1
90.77240	0.5
101.02445	2.1
109.02943	17.2
121.02933	3.7
123.04507	2.4
130.48769	0.7
131.03477	1.3
133.01439	2.4
135.04553	0.7
143.03427	1.0
149.02437	7.8
149.06154	0.9
151.03973	3.0
165.01942	7.2
166.02702	7.7
167.03490	19.7
181.05103	2.4
191.05701	5.8
200.99014	0.6
205.07187	1.4
221.04587	1.2
228.05400	0.7
248.99547	0.7
329.08875	6.3
343.10461	1.0
357.97784	0.7
423.29443	0.6
457.13452	2.7
461.12991	3.3
475.14621	33.9
475.21527	1.3
607.18872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66596	2.1
54.83403	2.4
55.25327	2.4
78.70149	2.4
78.95898	45.0
80.75764	2.8
90.55215	2.4
99.30203	2.6
99.92574	11.0
100.93345	5.4
115.79982	2.8
115.92054	30.0
116.92834	18.8
152.99603	38.0
164.90550	3.4
178.88512	4.2
179.89218	21.2
180.90015	17.7
181.90776	12.1
196.89470	28.9
205.90747	14.9
236.92628	14.3
279.23248	4.8
337.20816	3.3
341.05908	3.0
607.19897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56815	1.7
68.81635	1.4
78.95893	34.2
94.62025	1.6
96.95957	2.0
96.96996	1.7
99.92574	3.0
100.93335	3.9
115.92074	19.3
116.92824	15.7
150.98000	2.9
152.99596	22.6
164.90483	3.2
171.00502	2.6
178.88434	4.1
178.92085	1.7
179.89203	14.4
180.89983	15.6
181.90799	5.9
196.89479	28.1
205.63531	2.0
205.90768	9.4
206.91678	2.6
219.92281	1.8
234.91080	2.4
235.91884	2.8
236.92592	10.5
253.92845	1.9
279.23178	9.2
516.15814	2.2
571.18329	2.9
589.18225	2.4
607.19849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	42.0
79.60714	1.1
85.90510	1.2
89.70023	1.1
96.95996	1.6
99.92568	5.8
100.93355	12.2
107.71224	1.3
115.92095	15.2
116.92845	17.3
125.55782	1.2
150.98013	2.9
152.99580	28.5
163.89780	1.7
164.90456	2.9
171.00558	1.8
178.88435	6.0
179.89221	18.4
180.89986	18.3
181.90817	12.1
195.75716	1.2
196.89508	24.9
205.90732	7.0
206.91585	2.1
218.91483	1.5
219.92250	2.8
235.91809	8.1
235.93904	1.3
236.92630	8.0
254.23238	1.3
271.55667	1.4
279.23297	7.6
322.02240	1.3
332.67722	1.4
443.13254	1.6
499.16257	1.8
571.17456	2.1
589.18695	2.8
605.08698	1.6
607.19946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21486	1.7
53.08169	1.5
59.75219	1.7
72.50337	1.4
78.95897	35.6
91.46349	1.6
96.96976	2.3
99.92556	3.8
100.93369	9.8
108.12036	1.8
115.92088	16.2
116.92850	10.7
129.53983	1.9
140.08485	1.7
152.99551	21.6
163.99124	1.9
164.90523	2.2
178.88432	7.5
179.89226	11.1
180.90038	17.6
181.90863	10.2
196.89455	24.4
205.90810	3.7
206.91504	3.8
235.91794	4.2
236.92671	11.5
279.23300	4.3
329.02454	2.1
345.81622	2.0
364.20767	1.9
413.07053	1.8
499.16043	2.5
571.18201	3.1
607.19989	100.0
618.12256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	0.3
82.66769	0.2
87.00871	1.0
87.56416	0.2
89.02340	0.2
93.03451	35.7
101.76113	0.2
109.44479	0.2
118.83858	0.3
134.03775	0.5
137.02444	100.0
190.02817	0.3
193.05064	1.0
205.05092	0.4
236.99501	0.3
260.62378	0.2
285.93384	0.3
326.11688	0.4
341.14087	0.6
358.49548	0.3
462.53690	0.3
469.17654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35929	1.2
53.28322	1.3
53.70782	1.2
59.01385	7.8
59.14399	1.8
61.73143	1.1
61.82754	1.3
63.20753	1.2
67.23476	1.2
67.83261	1.3
69.86203	1.3
71.01370	14.6
71.18231	1.3
73.02937	6.1
83.01402	1.9
84.29849	1.3
85.02959	3.4
89.02426	2.1
98.03143	1.4
99.00848	2.4
99.11431	1.6
101.02439	17.7
113.02441	9.8
132.81062	1.6
149.02429	6.7
159.02966	2.4
161.04559	10.8
164.04753	12.1
175.00377	7.7
179.07101	1.9
190.02731	80.2
205.05081	100.0
223.06071	14.9
269.10233	2.8
355.08224	3.3
370.10455	3.3
385.12918	8.6
401.14542	12.4
526.66406	1.6
607.20453	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74020	0.7
59.01383	16.0
59.16609	0.7
60.99297	0.9
67.01873	1.6
84.18581	1.0
87.00888	7.1
93.03447	26.7
110.21115	0.7
111.04501	5.5
112.04731	0.8
119.05021	1.7
134.03757	3.9
141.05600	2.1
149.06175	0.9
152.95732	0.8
163.03966	1.8
173.04514	12.1
175.04025	1.0
191.05630	100.0
192.18120	0.9
193.05000	9.9
195.10342	8.3
218.51855	1.0
224.34724	0.8
239.09273	30.2
336.63519	1.1
367.10382	45.8
427.10672	1.2
445.11340	1.6
607.17719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Osmanthuside J
Peak:m/z	Relative Intensity
59.01373	4.3
60.83827	0.8
61.98833	1.0
65.76413	0.7
66.15446	0.7
71.01375	1.8
74.76971	0.7
85.02958	1.5
89.02451	1.9
95.01320	0.7
95.80901	0.8
99.00867	1.8
100.66882	0.7
101.02426	1.1
113.02441	1.9
117.03442	4.5
119.03434	1.0
119.05047	0.8
134.03740	76.5
149.06099	11.8
160.01657	8.6
175.04016	19.8
178.02744	5.4
187.09727	1.4
193.05074	100.0
223.06209	0.9
228.77768	1.0
247.05344	0.8
413.14441	5.3
603.45715	0.9
607.20386	39.5
607.29150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
61.98828	1.1
66.14919	0.8
70.06192	0.9
71.01387	4.4
72.99323	1.0
77.24062	0.8
87.00884	1.7
89.02440	3.9
93.03471	1.6
99.00870	5.1
101.02461	2.2
101.07629	0.8
109.63860	1.1
111.04483	1.0
113.02413	3.6
117.03449	4.7
124.21300	0.9
134.03745	88.5
137.02451	8.8
137.48067	0.9
149.06065	15.2
155.10733	1.2
160.01639	8.6
175.03978	19.7
178.02707	5.4
191.05682	2.3
193.05072	100.0
205.05090	1.0
217.03526	1.2
270.54092	1.0
311.48572	1.0
317.10892	1.3
355.40668	1.0
413.14474	5.6
427.10144	1.6
497.39896	1.0
513.79675	1.0
571.20752	7.1
607.20355	37.2
607.31036	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04897	0.6
59.01376	1.7
66.91060	0.7
71.01382	5.8
73.02940	1.7
83.01359	0.7
85.02937	0.8
89.02401	1.3
99.00837	1.1
101.02463	5.1
113.02378	3.9
121.02928	1.2
147.04515	6.0
149.02441	33.5
153.64354	0.8
157.12718	0.7
161.04523	2.7
164.04791	97.4
179.07147	10.3
183.10255	7.6
190.02713	13.6
205.05089	13.6
208.03688	3.0
223.06125	100.0
269.10385	0.9
284.03241	8.0
299.05661	15.9
383.13541	1.3
401.14188	1.0
423.22369	0.8
607.20227	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64815	0.7
55.25268	0.7
59.01376	2.0
61.49195	0.8
64.99872	0.8
71.01359	1.1
85.38470	0.9
88.98820	1.1
89.02415	1.8
96.95992	7.8
101.02414	1.2
107.04997	1.4
109.01019	1.0
134.03741	1.0
138.03175	5.2
153.05511	4.1
153.53709	1.0
160.01628	3.8
165.05553	1.4
169.35083	0.8
175.03944	5.2
181.05034	11.2
182.05856	63.8
192.04315	1.5
193.04938	1.2
196.07390	4.5
197.08209	41.3
204.07890	3.7
207.06662	4.9
218.05746	2.3
219.10194	3.4
231.06631	14.5
231.10255	1.1
243.06639	8.4
245.08110	1.6
246.08986	19.3
251.09306	1.3
258.08896	5.4
260.02176	1.0
260.06876	7.2
261.07657	17.9
261.11328	9.8
273.11340	1.8
275.09338	6.4
275.11844	1.0
276.10056	16.3
291.12299	3.7
305.10245	5.3
329.13831	1.6
385.51984	1.0
563.21606	1.1
607.20331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07444	2.0
56.70652	2.0
59.01374	3.7
60.31880	2.0
60.61343	1.8
60.71975	2.2
62.76144	1.7
64.49292	1.9
71.01385	2.9
71.74003	1.9
94.88277	2.3
95.04491	2.0
97.41599	1.9
101.02467	2.8
113.02489	2.3
147.04529	8.4
149.02426	29.6
161.04585	3.3
164.04797	89.3
179.07144	11.9
190.02704	8.7
205.05077	10.6
223.06136	100.0
603.80573	2.6
607.20264	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
65.82456	0.2
71.01366	0.5
74.59887	0.2
82.08712	0.2
85.02950	2.5
87.00871	0.8
93.03451	0.8
98.65966	0.2
101.02418	0.3
102.05592	1.6
107.46887	0.2
111.04504	0.3
113.02513	0.2
127.04008	0.9
133.01422	0.3
136.27335	0.2
167.58453	0.2
173.04535	0.8
188.73491	0.2
191.05632	100.0
210.04504	0.2
261.49863	0.2
264.98932	2.5
265.09174	0.4
340.60681	0.2
537.77319	0.2
554.54742	0.2
607.21063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47438	0.2
59.01378	0.3
65.38412	0.2
78.86817	0.2
85.02947	2.0
87.00856	0.4
93.03453	0.5
111.04444	0.3
127.04038	0.4
165.04025	0.3
173.04517	0.5
191.05623	100.0
252.06978	0.3
258.79773	0.3
264.98856	0.4
411.82681	0.3
485.20700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84048	0.3
66.60567	0.4
72.97382	0.4
72.99302	45.2
109.02932	0.7
123.04512	22.0
135.03484	1.0
135.04518	27.8
139.23383	0.4
151.03966	0.4
179.03499	45.0
197.04562	100.0
265.06937	0.5
519.01422	0.4
607.19092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74480	0.6
70.59036	0.7
72.49896	0.9
72.99295	3.5
87.79908	0.7
105.60285	0.8
119.05018	3.9
134.78036	0.8
135.04514	4.7
163.03976	17.3
181.05066	100.0
195.40176	0.9
245.30295	0.8
269.18448	0.8
343.10345	61.0
343.14581	2.0
365.71606	0.8
620.56982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89342	0.4
59.01382	0.9
71.01377	0.8
72.99302	3.8
73.54510	0.5
77.03136	0.5
89.02402	0.7
93.03461	0.5
94.94215	0.5
96.82498	0.4
101.02455	0.6
109.12314	0.4
113.02415	0.5
119.05029	5.8
127.05156	0.8
134.03740	0.6
135.04530	15.2
149.06064	0.8
163.04013	31.2
181.05077	100.0
191.05582	2.2
263.45636	0.5
292.32266	0.6
425.16681	10.8
525.07874	0.5
607.22021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16041	1.1
57.72851	1.2
59.01383	100.0
59.63036	1.4
69.83673	1.2
74.66003	1.3
78.95930	2.3
92.11645	1.2
93.21360	1.3
103.18943	1.2
125.23820	1.4
133.22438	1.3
152.99591	5.9
197.58182	1.5
307.11905	12.3
423.87555	1.7
512.04614	1.7
598.67896	1.9
607.24835	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48198	0.9
59.01369	4.9
59.43504	0.9
61.98830	1.7
62.53352	0.8
71.01376	6.5
71.09630	1.0
78.98598	2.4
79.95735	14.5
80.23045	0.8
80.96515	37.4
85.02956	2.0
87.00870	1.6
89.02415	1.4
94.98084	9.4
95.39461	0.9
97.02975	1.0
101.02454	3.9
113.02450	1.4
115.03979	1.4
121.06558	1.1
122.97567	1.8
125.02415	1.9
127.03980	1.9
132.58629	1.0
134.97574	1.9
136.99142	1.1
148.99139	7.5
152.98622	7.1
164.98605	14.6
191.05656	2.3
199.02692	1.2
206.99745	1.6
225.00771	23.4
241.00163	1.5
299.04529	4.5
313.66214	1.1
371.06366	1.4
547.18512	4.3
547.31744	2.1
607.24353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06921	0.9
59.01383	100.0
59.22129	1.0
61.98825	1.8
65.99744	1.0
84.59933	1.1
86.32247	1.1
89.02429	1.6
124.39063	1.2
135.31592	1.1
136.20876	1.2
177.79831	1.3
190.20110	1.2
207.02975	1.9
307.11990	13.1
414.68152	1.4
574.40454	1.4
607.25739	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74731	0.7
59.01374	3.4
71.01397	5.9
72.99306	4.0
73.02943	1.2
73.47778	0.8
78.98598	4.4
79.95734	11.3
80.96516	39.8
81.03432	0.9
85.02954	3.6
85.79091	0.8
87.00859	3.0
91.36769	0.8
94.98067	12.1
101.02442	3.0
106.81242	0.8
106.98073	3.3
122.97546	1.5
125.02441	3.1
127.03999	1.0
130.68210	0.9
134.97583	4.7
148.99113	6.0
152.98631	7.6
155.03505	0.9
161.04510	1.4
163.04054	0.9
164.98633	21.1
206.99699	3.1
225.00740	30.8
280.02048	0.8
299.04596	4.3
371.06543	1.1
455.16873	1.0
517.93414	1.0
523.42145	1.0
531.69824	1.1
547.19116	0.9
587.59564	1.0
607.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01255	1.9
59.01382	100.0
82.85805	2.2
118.81021	2.0
129.18459	1.8
205.05080	22.8
221.64398	2.5
292.09436	9.0
307.11923	11.9
312.24063	2.3
519.22412	2.5
607.24023	10.0
607.33417	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2441
Annotation	Tiliasine
Peak:m/z	Relative Intensity
53.14300	0.4
56.65230	0.4
59.01377	2.0
59.13989	0.5
60.54432	0.4
64.79642	0.4
70.39396	0.4
71.01381	5.9
72.99255	0.6
73.02922	1.3
78.98593	4.6
79.95732	10.3
80.96511	36.9
85.02955	1.1
87.00861	2.0
94.98073	10.5
96.96021	0.6
97.02950	1.0
97.06563	0.6
101.02433	2.8
106.98070	2.1
113.02436	0.6
122.97576	3.0
125.02421	2.3
134.97577	5.2
136.99149	1.2
148.99135	6.7
152.98630	8.1
164.98633	15.7
167.00136	0.6
171.10384	0.6
188.98561	0.5
206.99620	3.9
209.11871	0.7
211.13425	0.6
224.98576	0.9
225.00754	25.4
235.13289	0.8
241.00294	0.5
299.04327	4.6
315.03973	0.8
341.05203	0.6
341.53738	0.6
371.06635	0.9
385.08041	0.6
517.00171	0.6
547.31647	0.7
572.00031	0.6
596.92670	0.6
607.24426	100.0
607.32550	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2573
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.76653	1.2
91.64214	1.3
124.11744	1.4
266.66800	1.7
297.24240	2.4
430.21741	3.1
431.22318	17.8
432.23303	3.1
444.23114	7.7
445.24124	18.1
447.25592	3.0
457.20242	1.8
459.25739	8.0
460.22949	38.5
471.21774	19.9
472.22708	55.3
474.20325	20.6
475.21344	20.8
475.25894	9.8
485.23447	3.4
487.18082	3.6
487.25134	100.0
488.22913	1.7
498.20844	3.2
502.20187	37.9
504.25415	3.5
513.22888	9.9
519.27234	9.8
531.24066	93.3
531.32159	3.1
534.22778	1.9
535.27405	2.3
545.25574	3.5
547.23438	3.1
548.24390	8.2
563.26648	29.4
575.23236	17.6
607.25793	42.4
607.45734	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2573
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.48547	0.5
64.93913	0.5
82.03609	0.6
83.86798	0.6
98.47754	0.6
99.54166	0.5
106.66223	0.6
110.57458	0.5
128.13373	0.6
168.90196	0.6
175.70245	0.7
187.78130	0.6
231.38803	0.6
248.78297	0.6
393.59116	0.6
457.20438	1.0
459.21915	3.6
461.19852	2.6
470.21616	1.1
475.21378	4.4
483.18423	0.8
485.23645	0.7
487.25354	2.7
488.22287	3.1
497.19534	0.9
498.20599	4.1
501.19119	1.3
503.24438	3.2
512.22388	0.9
513.22998	8.5
515.21002	5.0
516.14728	0.8
516.21729	16.1
520.20880	0.9
530.22784	0.8
531.24091	100.0
575.23059	12.9
607.25958	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13190	1.9
78.95885	3.8
86.52731	1.9
97.97716	1.8
105.01926	13.4
110.48413	2.3
123.12898	1.9
152.99585	2.2
169.55249	2.5
171.10255	7.8
181.09178	1.9
277.22025	3.3
295.22766	4.4
311.22284	4.9
319.49127	2.4
355.95102	2.3
419.22742	3.9
430.21887	2.9
431.22482	18.9
432.23901	2.6
443.22784	2.9
444.23303	15.2
445.24152	17.2
447.25601	9.0
459.21344	9.4
459.25919	10.7
460.23181	40.3
469.24521	3.0
471.21799	16.5
472.22717	44.6
474.20547	47.0
475.20947	75.9
485.23557	3.3
487.25150	65.8
488.22162	2.8
489.23074	3.7
498.20956	3.0
502.20236	52.4
503.24817	2.5
504.25418	4.0
513.23236	10.6
516.20563	2.7
519.27216	11.6
531.24121	99.6
534.22345	10.6
547.23547	7.5
548.24506	9.9
563.26630	20.2
575.23157	17.6
589.55969	2.5
607.25793	100.0
607.35571	4.2
607.45935	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55521	0.7
69.08165	0.8
78.95934	0.8
108.56032	0.8
146.85031	0.8
171.10214	1.1
183.13849	0.8
188.62675	0.8
198.21692	0.7
230.21718	0.7
236.56612	0.7
241.41916	0.8
277.21744	1.6
278.21884	1.0
282.12396	0.9
293.21143	0.9
295.22208	1.3
296.23199	1.2
343.18753	0.9
354.58841	0.9
454.22015	1.4
458.21420	1.0
459.21680	1.1
460.22427	1.8
469.24548	1.3
471.22202	1.1
475.21304	5.0
483.21988	1.5
485.23721	1.5
486.20703	1.4
487.21341	6.4
488.22244	5.4
497.20270	1.0
498.20993	1.7
501.22885	4.3
502.23969	40.9
503.24988	8.4
512.22003	1.0
513.22943	9.1
515.20886	5.0
516.21796	9.0
520.21240	1.5
530.23431	1.4
531.24091	100.0
545.25763	1.1
575.23047	20.9
607.26105	11.9
607.35730	1.9
607.45331	13.7
611.97418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31901	0.6
58.79066	0.6
59.01381	44.2
62.33639	0.6
71.01379	36.2
72.99296	1.0
73.02945	7.9
85.02939	5.0
87.00859	1.5
89.02436	66.5
95.01388	1.7
97.02976	1.2
101.01767	1.7
101.02435	39.2
107.85448	0.7
111.00838	1.1
113.02436	22.8
119.03490	24.9
125.02443	3.0
130.69157	0.7
131.03485	8.1
143.03502	3.7
149.04544	1.1
153.09157	5.2
159.37950	0.7
161.04547	16.0
164.89737	0.9
179.05608	29.7
181.26022	0.8
191.05649	9.7
205.12334	19.1
220.39819	0.8
221.06697	14.8
223.13290	1.2
264.44696	0.8
293.21805	0.7
323.09839	3.3
341.10922	3.3
367.10110	0.9
391.30481	0.8
434.86798	0.9
547.24042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	55.3
59.25579	1.9
69.30027	2.1
70.28645	1.6
71.01382	53.6
73.02946	4.6
85.02940	9.7
87.00869	3.0
89.02438	65.1
97.02937	4.1
99.00897	2.7
101.02428	46.9
113.02448	19.0
115.62489	1.9
119.03496	25.7
122.67087	2.0
125.02444	14.0
131.03535	7.7
134.03668	2.1
143.03513	8.9
143.88539	1.9
161.04584	13.2
179.05638	21.6
205.12286	18.7
217.10844	41.8
221.06619	12.4
300.66382	2.0
323.09915	45.4
512.51801	2.3
529.22974	100.0
547.24036	8.7
607.22009	2.7
622.94861	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.7
67.08247	0.7
71.01377	1.4
74.44588	0.6
83.65868	0.7
85.02917	0.7
89.02393	0.7
101.02403	0.9
110.42941	0.8
113.02464	0.9
115.00493	0.7
133.85843	0.8
151.04027	6.8
161.02402	1.1
162.03244	1.3
176.04807	1.1
179.03510	100.0
180.04330	5.9
194.05856	64.1
194.07684	1.4
195.06631	6.8
217.08777	1.0
229.08556	2.7
272.13098	0.7
274.97083	0.7
299.16583	1.3
307.19000	0.7
321.67349	0.7
477.21329	13.3
479.23206	5.9
491.22955	17.3
509.24014	26.4
607.25531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22352	0.6
52.39244	0.5
56.19098	0.6
58.90065	0.6
59.01381	47.3
71.01379	7.1
71.07143	0.6
73.02950	1.5
85.02940	3.5
89.02442	1.4
99.00877	2.8
101.02441	8.2
110.54774	0.6
113.02439	5.2
147.04475	4.6
149.02434	27.0
159.10265	100.0
161.04556	5.2
164.04797	83.6
173.04543	1.4
179.07129	7.6
190.02750	10.0
205.05096	11.7
208.03801	2.5
223.06128	77.9
315.18152	3.5
383.13306	1.1
415.15558	0.7
442.14905	0.7
447.22433	26.0
607.20374	26.8
607.33057	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	71.9
71.01376	7.5
73.02943	3.8
79.08773	0.6
80.96497	1.3
83.01388	1.2
85.02958	3.3
85.92541	0.6
86.56512	0.7
89.02472	0.8
92.22575	0.9
99.00828	0.7
101.02448	10.3
113.02429	4.5
116.67014	0.7
161.04553	1.1
162.31764	0.7
171.56429	0.6
256.21631	0.7
299.25943	2.6
355.76517	0.8
563.34479	100.0
607.23651	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46241	0.7
59.01382	63.4
61.98833	3.9
71.01381	7.0
73.02937	1.7
76.37270	1.0
85.02963	2.1
85.29667	0.9
89.02452	2.1
97.02951	1.0
101.02445	8.7
113.02428	5.5
119.80727	1.0
155.48148	1.0
161.04515	1.8
201.11314	3.9
283.05893	1.5
327.21844	1.6
521.33221	1.2
563.34406	100.0
607.24969	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	82.4
61.98815	2.6
71.01381	8.9
73.02943	5.3
79.95750	2.5
80.08946	1.4
80.96505	14.5
85.02956	4.8
85.71424	1.4
94.22323	1.4
98.39513	1.3
101.02471	9.9
113.02440	7.3
119.04968	2.0
122.97569	1.4
145.02988	5.7
152.98572	1.8
163.04030	1.7
164.98657	2.7
170.15558	1.6
191.35344	1.3
193.05043	1.7
225.00735	7.5
283.65500	1.3
338.04922	1.5
363.76801	1.5
427.22882	1.6
445.22272	1.5
563.34473	100.0
607.23853	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25527	0.6
51.27750	0.6
56.43494	0.7
59.13731	0.8
65.77829	0.8
68.04392	0.7
78.95905	100.0
86.36046	0.8
93.63470	0.8
96.96945	3.4
105.53368	0.8
113.09660	1.0
125.09669	10.4
139.11279	0.9
152.99576	27.4
170.95889	0.8
171.10280	8.4
186.51671	1.0
187.09772	17.0
195.13910	2.1
255.23175	1.0
260.63495	0.8
263.67776	1.1
272.78897	0.9
277.21683	5.6
283.26450	52.6
288.82416	0.9
295.22763	6.3
303.23279	4.9
311.22205	6.4
329.43225	1.0
456.72595	1.0
607.36304	67.9
607.45880	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.42
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33793	0.7
67.03954	1.0
68.73216	0.9
87.16703	1.0
112.07678	5.7
129.10350	2.3
130.08730	8.0
207.15007	1.9
217.03557	1.3
224.17691	2.0
225.16075	15.5
263.05765	0.9
320.23349	1.8
337.26160	1.7
338.24734	2.1
395.02313	0.9
395.94241	1.1
433.32019	1.5
450.34586	4.2
546.40479	7.7
564.41376	100.0
607.42084	24.6
633.95447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50252	6.0
59.45524	8.0
61.98841	9.8
63.39437	6.2
67.07919	7.1
68.18950	6.2
71.79612	6.9
86.18528	7.5
104.58794	6.6
119.76926	7.6
138.92886	6.7
165.12930	8.6
217.40033	7.4
293.21259	100.0
295.22675	30.6
311.22318	12.4
329.20554	8.5
444.32892	8.7
531.20795	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00820	3.0
65.06429	2.6
80.96529	3.2
81.21032	3.0
89.95541	2.9
117.34864	3.3
141.12798	4.5
171.10347	5.0
185.11832	16.3
204.19460	3.4
214.28394	4.3
277.21826	6.1
293.21240	100.0
294.21561	4.0
295.22485	6.7
311.22250	17.2
536.63745	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81912	0.9
57.27131	1.1
59.01360	1.2
60.26432	1.0
68.70194	1.2
78.95903	50.0
92.22533	1.2
96.96966	1.4
125.09705	6.4
127.11310	2.7
134.02249	1.1
138.33435	1.2
139.11281	6.1
152.99609	16.1
160.71556	1.1
161.63609	1.4
163.78841	1.2
171.10275	36.7
181.12425	1.7
185.11847	5.6
187.09814	6.4
192.88950	1.6
195.13940	11.7
197.11806	1.9
199.13417	1.6
201.11292	6.3
207.03984	1.3
211.13414	9.8
229.14406	1.3
240.97058	1.4
253.21735	2.3
255.23235	5.3
269.08264	1.7
275.20279	1.5
277.21805	24.7
283.26465	21.8
293.21271	11.5
295.22821	48.4
311.22241	32.3
329.23245	6.5
492.74310	1.3
498.22232	1.3
553.32245	1.5
607.36218	30.8
607.45911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73716	0.9
62.44265	1.1
67.36739	1.2
78.95908	13.3
81.57116	1.1
83.36469	1.0
93.70821	1.2
99.08105	1.3
106.70916	1.2
125.09767	1.4
127.11279	1.7
129.09209	1.7
139.11214	2.8
152.99620	5.2
155.10802	1.9
171.10271	23.0
183.10283	6.7
183.13864	4.9
192.74902	1.2
195.13866	6.0
197.11787	4.2
199.13390	2.2
201.11308	1.7
211.13383	14.7
215.12924	1.3
216.86964	1.4
229.14427	2.3
255.23332	8.2
275.20172	1.5
277.21753	21.2
279.23175	2.7
293.21231	10.8
295.22791	35.2
297.24219	1.8
311.18793	1.6
311.22318	37.0
329.23282	5.5
534.91479	1.5
607.36420	9.3
607.45801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51543	1.7
55.11503	1.9
57.43715	1.9
78.95907	35.6
116.19630	2.2
139.11308	4.0
152.99626	12.8
171.10297	22.8
193.12337	3.0
195.13863	21.6
211.13452	13.6
215.12842	4.0
229.14372	2.7
255.23372	17.0
277.21683	29.0
293.21304	15.8
295.22842	56.6
311.22363	23.1
329.23450	4.3
378.94577	2.4
607.36182	31.0
607.45923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
92.23117	1.5
95.27462	1.0
113.03777	1.0
133.14018	1.3
160.12589	1.0
202.77135	1.1
214.25839	1.2
259.24329	2.5
287.22430	1.8
295.22888	1.4
303.23343	100.0
394.95584	1.2
607.45404	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38382	0.9
58.32329	0.9
59.01382	46.8
61.98831	1.0
64.61620	0.8
78.70895	0.8
98.04646	1.0
103.00372	100.0
105.26562	1.1
105.73229	0.9
127.01506	0.9
133.01405	1.4
142.79562	1.1
162.39627	0.9
263.07004	1.1
342.13583	10.0
419.43469	1.1
504.19009	6.8
631.61273	1.1
637.81848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26822	0.8
59.01382	42.0
72.99310	1.9
75.30925	0.9
78.82958	0.8
79.62830	0.9
84.79687	0.9
87.39523	1.1
88.04034	7.7
103.00370	100.0
106.71949	1.0
123.04516	1.2
134.66855	1.1
148.45341	0.9
177.57430	1.1
183.42075	0.9
197.04584	4.8
198.04625	1.1
342.13574	1.2
504.18738	3.8
625.47656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90185	0.8
67.57328	0.8
70.47891	0.9
71.01376	1.9
72.01236	0.8
73.02942	0.9
81.82095	1.0
101.02425	4.9
104.03551	1.3
108.02158	19.9
109.02941	12.3
113.27415	1.2
122.03729	1.8
123.04482	1.1
130.08734	24.2
139.34088	1.0
152.01147	41.8
153.01926	29.1
163.04050	1.0
165.01944	1.5
173.04520	1.4
191.05611	1.5
202.10867	4.4
292.14005	5.7
292.68958	1.1
315.07254	100.0
327.35577	1.0
330.09018	1.8
597.70593	1.1
599.54065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17520	1.1
56.49829	1.1
57.87846	1.1
63.94490	1.2
65.92872	1.1
75.65251	1.3
78.95895	11.3
92.23090	2.7
99.92581	100.0
115.92068	12.7
116.92867	2.6
120.24023	1.2
152.99593	2.0
171.10313	1.5
215.12865	1.7
255.23459	1.6
255.85570	1.4
256.23657	2.9
309.58337	1.7
310.15955	2.1
313.37402	1.5
336.14081	2.4
338.15594	7.3
354.15302	1.5
356.16632	52.0
370.14713	1.5
434.25702	1.5
540.51532	1.4
606.66150	1.5
608.37189	38.8
608.46191	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45100	0.4
66.46710	0.4
71.01366	0.6
87.00865	6.4
96.11783	0.5
105.01936	0.7
105.51101	0.5
108.76134	0.5
109.02976	0.5
116.39748	0.4
120.94228	0.4
128.37846	0.5
149.53249	0.5
151.00377	7.3
158.25430	0.4
163.00383	1.1
165.05539	0.8
178.99904	4.0
243.02983	0.8
255.03018	8.5
271.02512	15.5
272.03345	0.9
273.04037	0.9
300.02789	100.0
301.03580	30.2
609.14728	67.9
623.06287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.147
Annotation	Rutine
Peak:m/z	Relative Intensity
50.78969	0.4
59.61838	0.5
66.22332	0.4
68.53312	0.4
132.92288	0.4
137.07964	0.5
145.02936	0.5
149.51678	0.5
150.05409	0.5
151.00365	4.1
163.24715	0.5
178.99872	2.9
221.08479	0.5
243.02983	1.0
254.02225	0.9
255.03027	7.1
271.02518	15.8
272.03323	1.8
273.04135	0.6
299.02246	0.8
300.02774	100.0
301.03558	16.2
306.29749	0.6
395.72861	0.6
417.46588	0.6
609.14709	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1848
Annotation	Clematin
Peak:m/z	Relative Intensity
59.01365	4.9
70.82251	1.7
71.01373	3.7
72.99290	7.4
73.02927	2.4
83.05004	3.7
85.02926	2.6
87.00848	2.3
96.53927	1.9
99.96881	1.8
100.96297	2.3
101.02441	4.0
102.43204	1.8
111.04457	3.2
127.03983	14.4
128.04329	3.8
149.02405	2.2
153.05551	3.3
155.03513	8.5
164.04758	4.5
165.01834	2.5
165.05540	4.6
167.03462	4.7
178.02676	4.1
179.03410	3.0
180.04260	4.7
183.06584	10.5
190.02776	4.9
191.03505	4.2
192.04353	2.2
193.01405	8.7
193.04990	4.8
195.06607	8.1
199.02553	2.6
205.05098	9.5
206.05888	2.4
208.03799	32.4
217.03458	14.0
218.03848	3.7
219.03850	3.6
221.08148	13.4
223.06093	48.6
250.04810	2.4
265.07129	11.5
295.08057	2.5
301.07114	19.4
325.09137	3.0
331.08136	7.5
346.02484	2.5
385.11423	3.8
413.14542	2.7
609.18292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07049	1.3
55.71241	1.1
59.01372	9.1
59.47618	1.0
68.48447	1.3
69.47485	1.2
71.01368	2.9
71.65040	1.2
72.99297	1.4
84.66985	1.7
85.02941	1.6
88.52763	1.3
89.02448	3.3
94.33524	1.3
96.96003	24.0
99.52179	1.3
101.02408	5.3
113.02449	6.9
119.03458	5.4
123.04487	2.4
135.04535	12.4
149.02347	1.7
164.04831	2.9
176.01218	10.2
177.01868	1.9
190.02702	28.8
191.01802	2.1
191.03514	55.7
203.03511	2.9
205.05074	100.0
208.04019	2.0
209.04532	3.3
221.08069	1.6
223.06140	13.3
251.05801	2.2
265.07187	6.9
297.09555	1.9
315.10852	9.4
521.16687	65.4
609.18311	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
70.44154	1.1
87.00866	18.5
89.02437	2.5
96.96018	13.1
101.02447	1.8
109.63870	1.4
123.00858	3.0
133.52202	1.5
138.03241	6.0
139.00351	2.5
149.02399	2.7
152.04782	2.6
153.05585	1.8
164.04784	20.0
165.01915	8.7
165.05623	1.5
166.02606	2.0
167.54549	1.6
179.07104	8.1
180.04271	8.1
184.42792	1.5
190.02690	15.3
191.03529	6.0
193.01410	16.0
195.06628	1.8
205.05069	21.1
206.05882	14.2
207.02852	2.5
207.06630	1.6
208.03784	80.2
208.05754	2.5
209.04462	3.4
221.08191	23.0
222.45616	1.4
223.06123	100.0
237.07639	3.0
250.04774	7.2
265.07178	35.2
295.08212	8.6
325.09323	14.6
343.53268	1.5
385.11401	9.8
447.64554	1.3
452.46060	1.4
609.18250	56.4
617.76172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
59.37039	0.2
59.98009	0.2
63.73830	0.2
69.65318	0.2
87.00896	0.2
92.23140	0.2
93.03455	30.8
96.95995	0.3
103.02872	0.2
109.43301	0.2
113.02470	0.4
137.02449	100.0
151.03957	0.3
191.05688	0.3
299.05386	0.3
361.16669	0.2
361.34705	0.2
387.14578	1.0
608.03552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95518	1.5
56.73765	1.5
59.01380	50.1
63.24986	1.7
67.19573	1.7
71.01383	36.3
71.27740	1.7
73.02941	3.7
77.53110	1.9
85.02941	7.9
87.75851	1.7
89.02439	49.1
96.19880	2.0
101.02438	26.2
113.02455	23.3
117.01941	2.1
119.03498	15.6
122.03731	75.3
123.04536	24.4
131.03520	2.0
161.04539	9.6
165.05568	9.9
167.03481	16.5
279.10883	100.0
285.09821	2.9
329.08844	74.0
438.51907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20794	1.1
59.01094	2.6
59.01381	49.2
66.00407	1.2
71.01378	30.9
72.99310	2.3
75.33832	1.3
84.10472	1.5
85.02946	9.6
87.00868	3.2
89.02436	50.6
95.01398	1.9
101.02430	20.4
108.02216	1.8
113.02446	32.5
119.03469	18.7
122.03741	22.9
123.04543	13.0
129.01993	2.6
130.08672	2.0
152.01112	6.7
165.05569	2.1
167.03476	26.8
179.05573	1.9
264.65546	1.7
267.07251	39.7
279.10880	100.0
285.10098	1.6
291.79776	1.5
315.07327	2.3
329.08807	22.0
392.64493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20794	1.1
59.01094	2.6
59.01381	49.2
66.00407	1.2
71.01378	30.9
72.99310	2.3
75.33832	1.3
84.10472	1.5
85.02946	9.6
87.00868	3.2
89.02436	50.6
95.01398	1.9
101.02430	20.4
108.02216	1.8
113.02446	32.5
119.03469	18.7
122.03741	22.9
123.04543	13.0
129.01993	2.6
130.08672	2.0
152.01112	6.7
165.05569	2.1
167.03476	26.8
179.05573	1.9
264.65546	1.7
267.07251	39.7
279.10880	100.0
285.10098	1.6
291.79776	1.5
315.07327	2.3
329.08807	22.0
392.64493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
84.35725	51.7
495.99420	68.3
544.16711	66.7
573.59015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58558	0.9
52.54052	0.8
54.86636	0.8
55.83636	1.0
56.79483	0.9
59.01384	1.5
72.99287	0.8
73.20143	1.0
73.58011	0.8
87.00864	100.0
89.02449	15.1
91.99231	0.8
93.03444	1.2
94.21805	1.1
94.64320	1.0
94.76488	1.0
101.02425	1.1
107.45808	1.1
137.02457	6.9
138.02818	2.0
152.68365	1.1
223.06218	1.6
277.20261	0.9
609.18158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26858	0.3
54.95630	0.4
55.19084	0.3
56.34870	0.3
59.01376	3.1
69.43501	0.4
72.99311	0.5
79.10498	0.4
80.31684	0.4
87.00861	1.9
87.73866	0.4
88.98799	1.8
89.02443	8.1
137.91634	0.5
148.90134	0.5
162.03233	76.8
162.67325	0.5
177.05577	100.0
251.70726	0.5
387.14572	1.0
469.41223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56857	3.6
58.67734	2.9
59.01378	8.8
59.68641	3.0
61.98820	6.6
71.01369	16.6
72.99304	46.6
73.02934	5.1
76.54628	3.0
77.17097	3.3
85.02997	3.4
89.02440	8.0
93.60313	4.0
101.02440	17.5
113.02458	5.6
119.03545	4.2
123.04498	16.6
135.04539	8.3
156.52789	3.6
161.04562	19.6
164.04739	5.3
179.03516	41.9
197.04584	65.8
223.06091	7.7
242.44240	3.3
329.80695	4.0
487.23843	3.7
530.39301	4.8
533.94073	3.7
573.21954	5.4
609.21973	100.0
609.31250	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03131	0.5
59.01383	13.2
59.99016	0.5
71.01382	0.9
75.85917	0.6
77.01972	0.5
80.67605	0.7
84.02349	0.6
134.03975	0.7
136.01648	9.8
137.02458	1.5
151.00247	0.6
151.04008	41.4
156.94695	0.7
161.04517	1.4
166.02719	12.8
175.07617	0.7
177.05641	1.2
179.03578	0.9
181.05083	37.1
197.37976	0.7
207.08496	0.7
234.43692	0.6
326.11679	0.7
357.09805	15.6
372.12164	25.4
372.16656	1.4
387.14545	100.0
514.15765	0.7
519.14716	0.7
549.19708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2366
Annotation	(-)-Triptofordin C 2
Peak:m/z	Relative Intensity
50.33651	2.0
71.23630	2.2
78.15347	2.7
84.28236	2.4
88.98799	4.5
119.08126	3.3
141.56862	2.5
181.93452	2.8
186.54521	2.8
190.96211	2.5
198.54163	3.0
208.29198	2.8
217.94440	3.1
228.00789	3.1
432.88980	3.2
433.20386	16.3
446.21439	5.1
461.23709	3.6
471.21790	3.9
473.20071	2.9
474.20587	20.6
489.23026	100.0
533.21869	18.5
565.24554	15.2
609.22998	3.8
613.94672	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23453	0.9
59.19065	0.8
60.46351	0.8
72.98885	1.4
72.99300	42.4
96.42787	0.8
96.95961	0.9
123.04516	20.5
133.01479	1.5
135.04520	26.1
151.04034	2.1
179.03493	47.4
179.21666	0.8
197.04562	100.0
235.90842	1.0
347.76077	1.0
419.98627	0.9
532.74976	0.9
542.22375	1.0
579.74127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23453	0.9
59.19065	0.8
60.46351	0.8
72.98885	1.4
72.99300	42.4
96.42787	0.8
96.95961	0.9
123.04516	20.5
133.01479	1.5
135.04520	26.1
151.04034	2.1
179.03493	47.4
179.21666	0.8
197.04562	100.0
235.90842	1.0
347.76077	1.0
419.98627	0.9
532.74976	0.9
542.22375	1.0
579.74127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61546	1.5
56.70944	1.7
68.13509	1.6
78.95916	2.1
88.95889	1.7
136.08482	2.2
146.73756	2.3
167.14374	10.6
178.45622	1.9
193.11490	1.8
211.13409	21.3
228.16042	100.0
229.14456	8.0
233.04802	24.1
234.68669	1.9
235.06342	2.1
246.05661	4.6
248.03596	10.4
248.07132	3.0
249.04337	1.9
262.05066	19.2
263.05911	17.4
276.06378	1.9
278.04642	8.4
278.08246	4.4
280.06058	3.2
289.03857	2.0
290.04688	3.4
291.05441	9.3
292.06064	16.8
293.07031	2.2
305.03247	2.7
306.04083	30.9
306.07773	10.8
320.05606	31.0
321.06424	4.8
335.07938	11.8
336.08795	59.2
380.07852	14.8
548.01868	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95596	0.9
57.03433	0.9
59.01374	5.6
71.01379	6.3
73.02921	1.8
89.02431	5.3
101.02458	4.1
113.02454	2.0
147.04483	1.1
149.02396	6.3
161.04585	4.5
161.09718	4.6
164.04836	19.9
176.01163	1.3
179.07065	4.1
190.02759	10.9
191.03484	6.0
205.05075	27.5
206.05815	7.1
208.03729	1.2
221.08269	14.5
223.06169	33.1
223.13423	15.2
237.07660	5.7
241.14569	1.2
250.04837	4.7
265.07184	19.1
295.08344	1.6
319.58795	1.1
325.09363	4.1
357.91107	1.1
385.11383	1.7
403.19623	2.5
511.25317	1.3
540.22498	1.3
565.26660	4.4
609.25513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65933	0.7
57.91431	0.8
71.01359	3.6
78.95904	4.8
78.98573	3.6
79.95731	25.5
80.96513	31.4
85.02937	1.1
94.98064	7.2
96.49706	0.8
113.09716	0.8
122.97581	2.2
125.02387	3.7
127.03995	1.2
134.97630	1.9
136.99103	2.1
137.02429	4.0
148.99110	5.8
152.98557	5.6
152.99629	6.4
162.91638	0.9
164.98610	12.3
206.99718	4.4
225.00742	37.4
241.00986	4.0
293.21207	5.3
296.20569	0.9
299.04443	6.4
315.04440	0.9
371.06461	3.6
385.07980	4.7
399.09253	1.3
413.11041	1.0
427.12476	1.6
482.18137	1.9
483.15625	6.4
533.34131	1.0
535.22406	1.6
563.12994	2.0
563.21704	50.9
591.24677	5.5
609.25995	100.0
635.10992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47970	1.0
60.53233	1.2
71.01370	2.3
71.68893	1.5
78.95889	9.0
79.95747	19.6
80.96520	31.2
94.98051	8.0
101.02453	2.5
111.39922	1.2
113.09702	1.6
121.12761	1.2
122.97482	1.4
125.02407	1.7
134.97549	5.0
135.32776	1.3
136.99118	1.3
137.02420	2.3
148.99210	1.7
152.86627	1.3
152.98502	2.8
152.99567	14.3
164.98589	13.0
169.31960	1.3
170.05122	1.3
201.04085	1.3
206.99670	2.2
225.00761	35.1
241.00964	2.6
293.21243	13.6
299.04398	8.0
345.86447	1.6
371.06500	3.1
385.08179	2.8
413.11392	1.7
427.12897	1.4
483.15225	6.6
563.21783	49.9
591.24677	5.6
609.26013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96560	1.0
59.01371	1.3
62.36233	1.0
71.01373	1.5
72.17426	1.0
78.98591	1.9
79.95737	65.8
80.96514	29.0
85.02950	1.3
85.87023	1.0
94.98065	7.5
101.02467	1.8
103.09865	1.3
122.97569	1.4
124.00053	1.1
124.68999	1.2
134.97586	2.8
136.99126	1.5
148.99142	2.6
152.98592	4.6
161.04630	1.4
164.98674	11.5
183.10220	1.8
206.99670	7.8
225.00757	28.9
241.00345	7.4
293.21375	5.0
299.04327	6.5
315.04254	1.3
341.05310	2.8
371.06528	6.8
385.08051	2.0
399.09476	9.8
413.11081	1.4
442.27817	1.3
466.14557	1.3
483.15482	43.9
523.18604	7.5
566.35718	1.5
583.59863	1.9
591.24994	5.3
609.26025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50222	0.7
50.52297	0.6
59.01379	3.2
61.98826	1.1
71.01370	3.6
73.02958	0.9
78.98576	3.5
79.95727	5.5
80.96054	1.6
80.96514	35.1
85.02937	1.9
85.38886	0.9
85.64270	0.8
87.00846	1.1
94.98080	9.5
97.02953	1.7
101.02445	3.2
106.98036	1.2
122.97551	1.2
125.02424	4.6
132.77135	0.9
134.97562	2.0
136.99107	1.3
148.99092	5.0
149.94748	0.9
152.98608	5.6
164.98621	13.9
206.99649	4.4
223.13464	0.9
225.00748	23.8
262.42780	0.9
299.04416	6.0
485.16818	1.6
609.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61789	0.5
59.01376	4.2
61.98841	0.9
63.96231	2.8
64.60746	0.7
64.73373	0.5
71.01383	4.7
73.02935	1.6
76.41437	0.5
78.98589	1.6
79.95736	12.4
80.96517	34.9
80.96995	1.1
82.34699	0.6
85.02958	1.5
87.00854	0.8
94.98103	10.2
96.96027	1.4
97.86071	0.7
99.00880	0.7
101.02419	4.9
106.98055	2.7
113.02472	0.8
122.97619	1.3
125.02439	4.1
127.03998	0.7
131.31155	0.6
134.97577	4.0
136.99100	1.1
148.99100	4.7
152.98643	6.4
154.79826	0.6
164.98639	12.9
167.00227	0.8
171.10104	0.7
206.99736	3.4
225.00743	25.2
251.16606	1.1
299.04364	5.3
371.06567	0.9
396.62717	0.8
505.33954	1.6
565.35681	0.8
597.46906	0.7
609.25940	100.0
637.68585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20668	0.4
53.97029	0.4
59.01368	3.2
61.74422	0.5
61.98820	0.5
63.96246	9.8
64.96990	0.5
67.52379	0.5
71.01372	4.9
73.02915	1.0
77.94751	0.5
78.98579	3.4
79.95262	0.9
79.95733	21.3
80.96513	30.2
81.95242	0.5
85.02924	2.0
87.00861	3.1
89.02446	1.0
94.98090	8.7
96.96011	0.7
97.02940	1.1
99.00863	0.6
101.02406	2.7
105.37034	0.6
106.98051	1.0
107.88245	0.6
111.00767	0.6
113.02448	0.8
116.72932	0.5
122.97575	0.8
125.02478	4.1
127.03978	0.8
129.82492	0.5
134.97545	1.3
136.99109	0.9
140.80974	0.6
147.29123	0.7
148.99135	5.1
152.98633	5.9
164.63705	0.6
164.98627	14.5
171.10255	2.5
183.13869	0.7
206.99641	3.8
223.16936	0.6
225.00777	21.3
241.00194	0.8
251.16931	0.6
286.74326	0.7
291.19696	1.1
299.04456	4.0
327.68030	0.6
371.06418	1.1
385.07800	0.7
447.25607	0.8
480.56815	0.6
549.19720	2.8
609.25708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74988	0.7
54.76337	0.9
59.01363	1.0
61.16007	0.8
66.11800	0.8
71.72007	0.8
78.95901	16.3
94.81129	1.0
96.96951	3.9
106.01173	1.1
107.80562	1.0
117.33692	1.0
132.30289	1.0
152.99591	43.3
168.94249	1.0
171.00514	1.0
209.15424	2.0
223.00151	5.0
231.21043	1.1
235.17044	24.6
241.01202	17.9
244.59932	1.1
275.20200	25.5
293.21277	10.5
315.04959	1.9
331.01910	1.0
407.92215	1.1
462.97336	1.0
481.62851	1.1
609.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02942	0.5
55.38409	0.6
58.87771	0.6
59.06912	0.5
60.45641	0.5
78.95900	23.1
89.02369	0.8
96.96959	7.2
107.45246	0.7
125.09719	3.9
127.45448	0.7
141.12895	0.9
149.09708	1.3
152.99583	46.9
171.00568	0.9
185.11829	10.5
197.11887	3.1
210.11949	0.6
223.00153	3.1
241.01224	27.7
249.22313	1.2
259.02219	1.0
264.56055	0.8
271.32516	0.7
293.21268	91.3
315.04819	3.8
609.26892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01379	0.9
64.51814	0.8
65.76370	0.7
66.64120	0.7
68.20237	0.9
72.02820	1.0
76.31363	0.8
78.95894	22.0
96.96936	4.1
106.79164	0.8
109.06557	1.1
113.09708	17.1
122.98236	1.0
139.11292	1.7
152.99585	54.3
167.10774	3.6
171.00616	1.1
179.10794	3.6
195.14026	2.8
207.47047	0.8
223.00136	8.2
241.01181	22.9
249.22279	1.9
293.21259	83.4
315.04858	3.0
322.65063	0.9
331.02570	0.9
333.05682	1.0
609.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2695
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.08308	0.7
54.08258	0.6
59.01376	0.9
61.98825	3.4
64.89741	0.8
70.95934	1.0
71.85675	0.7
78.95906	22.8
96.74634	0.9
96.96957	6.1
114.74935	0.8
123.51969	1.0
131.70477	0.8
146.88470	1.1
152.99588	43.2
183.10323	1.0
195.13916	14.0
196.14691	1.2
212.92320	0.9
222.99907	1.0
223.13470	7.4
231.44415	0.8
240.98924	1.7
241.01215	31.9
249.34415	0.9
259.02222	1.6
275.20319	6.6
275.85345	1.1
293.21246	24.7
315.04898	5.3
362.41840	1.0
429.20697	1.1
557.31738	1.0
609.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2689
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03443	0.7
59.01376	8.7
61.98835	1.0
64.74692	0.7
70.10428	0.8
72.40752	0.8
75.11166	0.8
78.95901	26.6
81.03727	0.8
82.87122	0.9
96.96954	7.1
109.06626	1.3
113.09722	16.4
116.58385	0.8
138.06810	0.9
147.54698	1.0
152.99590	45.5
167.10776	3.8
179.10800	3.3
181.60674	0.9
192.42993	1.1
195.13916	3.3
223.00134	1.2
241.01192	32.7
249.22256	1.8
259.11417	0.9
293.21265	81.2
312.95905	0.9
315.04794	6.6
429.20993	1.1
447.21771	1.1
609.26910	100.0
622.17114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11461	0.6
53.10774	0.6
57.03483	0.6
60.08686	0.6
62.17664	0.5
66.86571	0.5
74.09630	0.6
78.95902	23.8
96.96965	7.8
123.52759	0.7
124.93414	0.7
125.09711	4.3
130.18878	0.7
141.12849	0.7
152.99593	44.3
166.32584	0.8
175.43979	0.7
185.11870	10.9
197.11920	1.7
216.53067	0.8
240.98918	1.4
241.01208	25.9
244.99306	0.7
277.17981	0.8
293.21265	85.4
315.04904	4.4
429.20737	1.2
609.26892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74236	1.1
57.30973	1.1
59.01358	5.3
68.95794	1.0
72.99280	1.7
78.95895	23.7
84.36162	1.0
96.96030	1.3
96.96961	4.7
99.79732	1.0
115.93481	1.1
117.60390	1.0
119.60663	1.1
131.19289	1.2
152.99588	44.8
156.17868	1.2
165.24710	1.0
171.00479	1.5
183.10226	2.7
195.13919	2.5
205.05051	1.9
223.00198	2.7
235.17068	15.0
241.01202	25.2
256.66760	1.3
275.20209	15.9
293.21262	15.9
315.04916	4.8
445.19360	1.2
521.24200	4.2
609.26910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41135	1.0
56.45988	1.0
59.01373	1.3
65.56130	1.0
69.10961	1.0
71.19122	1.0
78.95895	16.9
92.22914	1.5
96.96932	2.8
113.09702	14.0
152.99586	48.0
167.10762	2.1
179.10812	1.4
195.13852	2.5
223.00139	6.1
241.01186	17.3
249.22220	4.1
275.41342	1.4
293.21234	69.6
295.13297	1.3
315.04956	2.0
503.70181	1.8
609.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88826	0.9
57.27327	1.1
59.01386	1.2
64.79897	1.1
74.11014	1.0
74.34711	1.2
76.84502	1.1
79.19604	1.2
83.00629	1.4
141.02605	1.4
194.16429	1.4
221.52682	1.3
338.04718	1.8
395.02438	1.3
432.23273	41.0
446.20734	2.6
447.25623	100.0
473.24088	1.5
474.24338	40.6
489.26746	26.0
491.24564	14.0
533.25635	27.2
535.23334	16.3
551.46814	1.5
565.28400	27.6
639.15405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.0
63.91265	1.0
71.01374	24.6
72.99302	1.2
73.02940	2.0
78.61353	1.0
85.02945	4.7
88.24017	1.0
89.02435	46.4
89.02963	2.0
95.01373	2.0
98.13707	1.2
101.02440	23.1
113.02440	16.0
119.03488	14.1
133.01459	2.5
137.18024	1.0
158.03685	1.0
161.04503	1.4
179.05568	4.1
190.47603	1.2
221.29842	1.3
225.14966	2.4
229.17006	1.0
314.03329	1.1
387.20166	6.3
408.43057	1.2
441.12390	1.2
445.85312	1.1
549.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2773
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
59.01382	40.5
69.53326	0.7
71.01378	23.6
71.01769	0.8
72.99307	4.1
73.02935	4.3
76.86883	0.8
83.01386	1.5
85.02944	7.2
87.00871	1.6
89.02441	35.7
93.31995	0.8
95.01389	1.1
98.21788	0.8
99.00858	3.7
101.02441	27.2
104.91954	0.8
113.02438	15.1
119.03493	15.4
143.03554	1.3
161.04553	8.7
167.72853	0.8
169.08708	1.0
179.03520	1.0
179.05598	1.1
197.04523	1.5
269.21390	0.9
315.18152	9.9
447.21774	5.6
499.56335	0.8
505.44116	0.8
609.27777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.98832	0.6
71.01389	2.2
73.02946	0.7
83.01371	0.6
85.02943	2.4
89.02434	0.9
92.22487	0.7
97.02933	3.4
99.00833	0.8
101.02435	5.1
109.52426	0.6
113.02441	2.6
115.04004	12.1
121.56689	0.7
149.34869	0.6
149.56392	0.6
199.13370	1.2
305.21262	8.8
331.19217	5.7
348.14609	0.7
349.20209	1.5
392.52505	0.7
467.26587	8.8
475.78671	0.6
493.24585	7.4
511.25549	34.6
609.29266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.9
59.01381	20.6
61.98820	0.8
70.34728	0.6
71.01378	13.9
71.37154	0.6
72.99296	1.5
73.02933	3.1
74.10488	0.6
75.00873	2.7
79.67300	0.7
83.01379	1.1
85.02955	3.8
87.00893	3.0
87.38181	0.7
89.02438	12.3
95.01393	0.9
97.02912	1.3
99.00865	1.7
101.02429	15.1
105.19624	0.7
113.02446	8.4
118.51968	0.7
119.03497	3.6
127.52154	0.8
131.03494	1.1
135.04610	0.8
151.04047	0.8
161.04558	3.6
205.05092	2.9
206.05685	0.9
219.79587	0.8
221.06627	1.3
232.01318	0.9
251.20132	1.4
267.19736	6.6
267.22089	0.8
269.21213	11.5
285.20746	7.0
429.25043	6.8
447.26126	7.1
609.31464	100.0
625.83435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99227	0.9
57.03458	1.2
59.01109	1.0
59.01379	22.1
71.01375	17.8
72.99307	1.3
73.02939	1.9
83.01353	1.4
85.02937	6.0
86.00106	1.1
87.00838	2.1
89.02442	16.6
101.02420	16.7
113.02450	8.6
119.03449	5.0
124.84554	1.1
148.87167	1.2
153.05580	11.8
163.92700	1.3
285.11346	26.4
285.20795	2.5
327.12585	1.3
429.24841	4.7
447.16806	17.8
447.26007	33.7
609.31366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.9
59.01381	20.6
61.98820	0.8
70.34728	0.6
71.01378	13.9
71.37154	0.6
72.99296	1.5
73.02933	3.1
74.10488	0.6
75.00873	2.7
79.67300	0.7
83.01379	1.1
85.02955	3.8
87.00893	3.0
87.38181	0.7
89.02438	12.3
95.01393	0.9
97.02912	1.3
99.00865	1.7
101.02429	15.1
105.19624	0.7
113.02446	8.4
118.51968	0.7
119.03497	3.6
127.52154	0.8
131.03494	1.1
135.04610	0.8
151.04047	0.8
161.04558	3.6
205.05092	2.9
206.05685	0.9
219.79587	0.8
221.06627	1.3
232.01318	0.9
251.20132	1.4
267.19736	6.6
267.22089	0.8
269.21213	11.5
285.20746	7.0
429.25043	6.8
447.26126	7.1
609.31464	100.0
625.83435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50426	0.6
52.69978	0.6
54.14849	0.7
55.74474	0.6
59.01384	100.0
67.94441	0.6
70.70044	0.7
71.01393	0.7
85.02956	0.8
101.02448	1.1
106.34817	0.7
118.62753	0.7
125.98022	0.7
135.89232	0.7
152.99533	1.4
153.35484	0.7
155.77441	0.7
161.32970	0.7
171.39867	0.7
250.47501	1.0
293.21237	0.9
341.03207	0.9
345.24637	1.5
356.49918	0.9
430.55597	0.7
541.80548	0.8
549.30872	8.4
601.83734	0.7
609.33972	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54560	0.9
59.01379	5.1
61.98822	1.1
67.01882	0.9
71.01373	5.0
73.02910	0.8
85.02921	1.2
88.04029	2.3
95.05046	1.5
97.02931	5.0
98.90709	1.0
109.02977	1.3
111.04523	1.6
113.02454	1.6
139.04045	7.3
152.99791	1.2
185.11832	1.4
186.78517	1.1
205.19397	1.0
239.76649	0.9
249.18613	100.0
293.21249	17.2
306.39642	1.0
315.19473	6.1
347.22171	1.1
359.13513	5.8
361.23959	4.9
366.25931	1.3
389.23431	4.3
609.32867	22.1
609.41400	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.55179	0.6
63.55760	0.7
65.92178	0.7
69.84614	0.9
72.02706	0.8
74.48774	0.7
86.38500	0.7
116.92841	0.8
123.04506	0.9
129.46797	0.8
133.02945	18.5
133.68497	0.8
135.04538	7.0
137.02423	1.0
159.04523	1.8
161.02437	4.1
171.10248	1.3
177.01930	5.8
179.03497	7.2
199.72350	0.8
203.03532	15.4
226.96280	0.8
249.65213	0.8
255.23491	0.9
259.87396	0.9
266.05890	6.9
267.04095	0.9
267.06613	6.7
281.08231	3.5
281.24817	1.3
283.09738	0.9
292.89404	0.8
293.04669	4.8
294.05453	1.5
297.07620	1.6
309.07666	1.7
325.07230	4.2
327.21948	1.0
357.09875	1.6
410.70871	0.9
431.31720	68.0
455.31769	37.8
473.17245	0.9
485.32803	12.6
527.85742	1.1
539.51093	0.9
563.33911	13.8
565.35620	3.2
570.79224	0.9
579.36951	6.2
594.35559	3.1
609.38080	100.0
627.02460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
59.85999	0.8
80.14066	0.8
109.06579	4.7
116.43101	0.9
121.10172	1.0
155.10753	3.4
171.10266	2.0
183.10269	28.7
183.13895	30.3
203.10634	2.2
210.46727	1.1
211.13364	6.4
223.13165	13.2
231.21144	1.3
235.09583	1.1
235.17102	9.7
267.12122	1.9
275.20221	22.9
293.21252	59.5
315.19482	30.6
473.76904	1.1
609.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36991	1.8
60.24485	1.4
70.61568	1.4
78.95898	1.6
89.96561	1.6
95.05017	34.2
195.13943	21.6
223.13393	13.9
238.46130	1.6
242.45055	1.6
246.12350	14.0
275.20212	13.5
278.11383	56.4
293.21289	100.0
297.24643	2.5
313.24182	1.7
315.19669	22.2
315.25418	45.8
356.77805	1.9
371.57596	1.7
399.59619	1.6
399.88318	1.8
609.41492	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4144
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
57.44211	1.0
69.71174	1.2
76.88974	1.0
78.81808	1.1
78.95901	1.3
79.26272	1.1
85.44250	1.1
109.28002	1.0
125.09690	2.6
141.12813	1.6
149.09715	2.0
150.16927	1.2
163.42516	1.2
185.11824	15.6
187.38481	1.1
197.11829	3.0
293.21249	100.0
315.19479	43.9
609.41565	47.4
622.78210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4146
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
53.57090	1.1
53.87296	1.0
54.87640	1.0
55.57887	1.0
59.01378	1.4
64.38012	1.0
67.48157	1.0
69.03461	2.3
72.00968	1.1
72.69620	1.0
78.95892	2.1
100.32124	1.2
137.52934	1.3
223.17053	100.0
225.30188	1.3
243.13715	8.1
245.15187	14.1
259.13104	1.6
263.16379	1.3
275.12741	2.4
275.20218	15.1
277.14218	7.0
293.21240	71.6
315.19473	16.3
359.18262	1.7
609.41504	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47717	1.8
60.59255	2.0
64.25985	2.3
79.03088	2.2
80.96543	9.1
84.04788	2.4
116.92860	9.3
125.28461	2.1
148.99147	2.2
155.14400	5.2
164.98602	2.9
200.10788	2.8
211.07816	2.5
224.62376	2.3
225.00716	9.5
295.22818	100.0
313.23865	9.8
550.23773	2.7
609.24451	4.4
609.33209	29.2
612.63885	2.4
634.15955	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05691	0.5
54.36043	0.5
56.98492	0.5
62.69446	0.5
69.60478	0.5
77.19354	0.5
77.99763	0.6
108.26806	0.6
158.28770	0.7
164.25072	0.6
279.23315	100.0
341.28488	0.7
537.53912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77180	1.8
63.46408	2.1
131.02805	2.0
133.67868	2.1
139.92166	3.0
140.11290	2.6
171.10286	3.6
253.21764	100.0
279.23444	3.8
297.24402	14.0
311.22244	11.3
320.45041	2.5
321.36893	2.6
386.25998	2.4
609.47491	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
75.64986	1.7
100.87121	1.7
111.08148	8.2
125.09693	1.9
189.29915	1.6
195.13879	8.0
212.34396	1.7
212.36342	2.0
216.70259	1.7
218.60728	2.0
228.26241	1.8
247.20851	2.2
273.18637	2.0
291.19702	100.0
382.71600	2.0
580.26971	8.2
610.28485	9.6
621.68311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76778	1.0
53.55342	1.0
56.74648	1.1
59.01343	0.9
61.22770	1.1
67.64329	1.0
70.88483	1.1
78.95901	39.6
96.96958	6.3
150.98050	1.7
152.99586	100.0
162.18260	1.1
171.00612	1.9
176.07184	18.3
236.22826	1.2
279.23224	8.1
288.41556	1.2
433.23813	14.9
580.27075	1.3
610.31458	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77777	1.1
53.54276	0.9
54.65005	1.0
55.65953	1.3
59.01368	8.4
70.01362	1.2
78.95892	5.9
79.11372	1.2
91.19361	1.2
115.30290	1.1
152.99651	1.6
168.04320	2.6
168.58641	1.3
224.07039	10.2
224.98738	1.3
279.23129	4.2
280.23734	1.5
311.29581	100.0
385.10284	1.3
505.66971	1.4
536.37305	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59254	2.5
51.47060	2.4
53.81312	2.4
61.70274	3.2
119.42432	2.8
167.14378	22.6
186.11411	3.1
211.13432	48.8
225.14996	3.8
228.16037	44.6
229.14481	26.9
381.27631	27.8
610.44293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	0.7
80.70973	0.7
94.88238	0.7
97.06579	3.4
119.55198	0.6
123.36804	0.7
125.09708	46.7
139.23659	1.0
153.12831	4.6
167.14410	12.4
186.11357	31.6
194.15543	2.9
197.11838	7.2
210.14960	1.4
211.13409	24.4
214.14526	5.5
215.12924	3.1
228.16049	26.1
229.14470	16.2
320.25888	1.0
364.24945	1.1
381.27640	16.2
391.33923	0.9
395.29208	4.5
406.29739	1.0
423.32312	9.9
452.74710	0.7
562.49127	0.9
610.27814	3.5
610.44409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1455
Annotation	Glutathione (oxidized form)
Peak:m/z	Relative Intensity
53.43600	3.0
54.75261	3.1
55.37621	2.9
74.02476	16.6
82.34210	3.1
99.05629	7.0
108.82375	4.2
109.86303	3.8
128.03539	64.8
135.05647	3.5
143.04625	100.0
146.04651	5.4
153.06711	4.2
157.76796	3.3
160.00725	23.5
165.01953	5.3
179.04626	20.9
180.04323	5.6
195.06621	14.4
208.03743	6.5
210.08876	26.7
223.06216	14.0
254.07771	8.1
272.08939	17.8
304.06296	5.2
306.07721	60.0
338.04672	6.0
389.16129	4.5
449.14636	7.4
595.04999	3.7
611.14343	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30487	59.4
67.66721	58.0
69.06938	58.2
69.28268	57.6
70.98737	68.0
84.58201	65.4
88.72142	66.9
106.36065	81.3
123.03517	69.1
156.85831	74.7
611.31427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03591	0.9
51.66633	1.0
62.01369	1.0
71.01366	1.4
85.02979	1.5
87.00865	6.8
101.02467	1.6
113.02446	1.2
119.31581	1.1
131.54822	1.0
149.02428	1.7
150.75589	1.1
153.02057	1.0
164.04774	17.6
165.01913	18.5
166.94479	1.0
175.00319	4.3
179.07095	4.1
180.04283	51.1
181.05086	1.3
183.06612	1.2
190.01013	1.7
190.02711	35.2
191.03419	1.3
195.06635	100.0
205.05069	78.3
205.07060	2.0
208.03789	2.3
210.05240	1.7
216.51807	1.0
223.06097	19.5
225.07603	1.5
273.98663	1.1
352.07925	1.8
367.10342	38.2
411.72830	1.2
449.14328	1.5
611.19873	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62427	2.4
52.80005	2.9
59.01384	60.8
71.01369	4.9
79.30565	2.7
81.15136	2.5
85.02964	3.5
85.45517	2.9
87.00895	4.6
89.02431	5.6
100.51413	3.2
101.02432	5.3
113.02464	4.5
128.95110	3.1
149.02448	19.8
161.04587	5.2
164.04788	43.9
165.01921	3.5
165.05618	3.3
177.01945	89.8
179.05669	3.4
179.07146	15.5
180.04289	14.7
190.02718	80.9
191.03568	3.6
192.04295	45.0
193.05162	6.1
195.06656	31.2
205.05104	90.4
206.05890	32.5
208.03758	20.9
210.05374	6.1
221.08182	43.2
223.06114	76.2
225.07657	14.1
228.11244	3.5
234.90242	3.2
237.07747	4.8
250.04800	7.5
265.07272	59.2
284.47037	3.7
295.08224	18.0
317.94803	3.3
325.09491	23.5
377.16229	4.1
385.11368	7.2
449.14636	16.4
491.15997	6.4
551.16852	4.5
593.18866	100.0
611.19836	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09698	1.7
59.01377	9.7
62.66195	1.9
71.01369	7.9
75.00874	1.7
85.02924	2.7
87.00869	4.2
89.02431	5.0
93.03429	3.8
99.25888	2.0
101.02454	3.6
111.00825	3.0
111.02090	2.1
113.02403	10.0
119.04935	3.3
137.02431	4.2
141.75139	2.1
149.02454	5.1
152.01143	2.2
158.08206	2.8
163.04041	4.3
164.04814	25.9
165.01933	22.9
173.04510	10.9
179.03531	4.7
179.07126	4.9
180.04272	64.2
190.02734	16.1
191.03702	2.8
191.05646	21.1
192.06099	3.1
195.06639	100.0
197.43919	2.3
205.05099	30.6
206.05841	12.9
208.03772	46.2
210.05333	15.8
223.06120	68.6
225.07683	30.2
246.93553	2.2
250.04958	2.8
265.07172	12.8
300.02905	4.1
301.03079	3.5
302.03464	3.4
337.09579	2.9
367.10236	2.5
401.12506	4.4
449.14618	77.4
532.23071	2.5
551.27032	4.0
611.20544	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
59.01384	2.3
60.83871	1.3
61.98838	1.5
71.01382	2.8
75.00888	2.3
82.15109	1.4
85.02959	1.8
101.02448	6.0
127.19971	1.5
129.01912	3.2
147.03006	7.6
149.02457	13.8
164.04800	100.0
165.05534	1.8
178.06419	2.8
179.05589	2.1
179.07149	53.2
180.04327	1.9
181.04996	1.9
182.19856	2.0
195.06609	2.4
222.05362	7.5
463.16159	66.5
469.25601	1.8
513.34326	1.7
538.01184	1.6
611.19965	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05727	1.5
59.01378	2.3
61.72216	1.3
62.82046	1.2
71.01347	1.2
73.32760	1.4
81.70602	1.3
89.02426	1.5
91.16241	1.3
101.02453	1.7
111.00850	2.2
149.02509	2.1
164.04793	13.7
165.01927	18.3
177.05644	1.5
179.03439	2.0
179.07149	6.7
180.04268	47.7
181.05040	1.6
184.95885	1.4
190.02725	3.2
191.03476	5.2
194.05841	2.3
195.06631	100.0
205.05064	20.3
206.05827	31.8
207.03014	2.6
208.03778	21.8
210.05348	16.4
221.08220	35.6
222.05200	1.9
223.06136	52.3
225.07735	34.5
238.32600	1.6
250.04858	13.8
265.07214	42.6
292.54285	1.4
295.08261	3.6
325.09302	8.5
401.12122	2.7
413.62067	1.4
443.13348	1.6
449.14523	44.2
491.15601	32.1
521.16644	3.5
548.91815	1.9
551.17749	33.0
551.25854	3.0
611.29449	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23564	1.1
58.91650	1.2
59.01383	20.8
61.51633	1.3
71.01366	3.1
74.12646	1.1
83.21687	1.2
87.00870	1.3
89.02409	1.7
101.02422	2.4
107.69617	1.3
110.86469	1.3
113.02500	1.4
149.02437	21.5
161.04648	1.6
164.04805	37.9
175.00313	6.8
177.01936	89.4
178.06348	2.2
179.07120	6.6
190.02725	82.0
191.03488	8.5
192.04309	38.9
193.05074	1.6
195.02899	1.5
205.05072	87.9
206.05814	22.5
207.06602	2.4
208.03764	10.0
209.04561	2.1
210.05434	1.6
221.08173	31.7
223.03989	2.5
223.06116	55.4
225.07787	2.5
237.07671	8.3
237.09824	1.3
245.27075	1.3
250.04861	9.6
265.07181	49.9
295.08270	8.8
298.77527	1.2
325.09293	15.3
344.12650	2.4
353.16870	1.4
359.14914	2.2
371.15555	1.6
385.11267	14.4
593.18866	100.0
611.19910	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55769	2.3
55.29355	2.1
59.01379	4.6
63.80357	2.6
65.93480	3.1
66.70985	2.1
71.01371	3.7
75.26205	2.6
80.96526	2.9
101.02410	3.7
101.56940	2.7
111.00862	25.0
117.01937	4.1
165.01909	58.1
175.03944	14.1
179.03494	13.1
180.04280	93.6
190.06343	6.6
193.05093	4.2
194.05734	6.1
195.03032	3.1
195.06625	100.0
195.08357	6.0
210.05391	19.3
222.05298	4.8
225.07716	38.8
253.29958	3.4
320.06860	4.0
321.07681	28.2
322.08569	6.2
323.09149	4.5
324.06497	5.6
324.10007	10.4
325.07138	19.3
336.10236	4.4
337.03522	3.1
337.07230	22.9
339.08865	27.2
340.09503	17.7
352.09378	4.2
354.11331	5.1
355.11765	19.9
367.11923	35.5
503.13657	10.9
533.18555	6.0
552.97992	3.3
563.19293	35.6
581.20477	19.0
611.20697	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2142
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
59.01388	1.1
62.45559	0.9
68.99806	6.7
71.01349	1.3
74.59029	1.2
84.07029	1.1
85.33650	1.0
92.22502	1.2
101.02446	1.9
109.02962	1.2
113.02387	1.3
123.00835	1.9
125.02396	2.0
138.03250	9.6
139.04018	2.3
153.01961	2.3
153.05562	23.8
165.01904	2.7
168.04259	5.1
176.01144	10.8
177.01851	1.1
177.05501	1.4
178.02765	2.6
180.04253	1.9
191.03525	12.9
192.04277	6.8
193.01395	15.6
193.05092	7.6
207.06645	31.5
208.03772	39.6
223.06107	46.6
224.06918	5.0
322.08295	1.4
323.09268	5.0
324.10025	1.9
327.08725	7.1
338.11377	1.5
339.08762	18.0
339.12341	2.3
341.10208	1.2
342.11124	17.1
354.10992	5.9
357.13553	9.9
369.13336	5.9
611.21405	100.0
611.32574	9.1
638.44934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81857	0.6
59.01381	1.8
59.39412	0.6
60.88920	0.7
62.56941	0.7
66.50735	0.8
66.82556	0.6
69.30675	0.6
70.26698	0.7
71.01356	1.1
71.44797	0.7
73.02076	0.7
73.02958	10.1
73.75950	0.7
79.20151	0.9
83.05004	3.0
85.02944	1.0
85.86275	0.8
89.02441	1.1
92.22491	0.9
93.03448	29.8
99.00871	5.2
99.04530	2.8
101.02411	1.4
111.04514	26.8
113.93599	0.8
129.01952	1.7
133.03580	0.8
137.02452	15.7
143.03482	4.6
155.03484	16.1
158.30685	0.7
173.04546	100.0
191.05598	1.3
213.73766	0.9
251.99506	0.8
297.11935	10.8
312.32861	0.8
453.16177	38.3
460.55688	0.9
618.98248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81857	0.6
59.01381	1.8
59.39412	0.6
60.88920	0.7
62.56941	0.7
66.50735	0.8
66.82556	0.6
69.30675	0.6
70.26698	0.7
71.01356	1.1
71.44797	0.7
73.02076	0.7
73.02958	10.1
73.75950	0.7
79.20151	0.9
83.05004	3.0
85.02944	1.0
85.86275	0.8
89.02441	1.1
92.22491	0.9
93.03448	29.8
99.00871	5.2
99.04530	2.8
101.02411	1.4
111.04514	26.8
113.93599	0.8
129.01952	1.7
133.03580	0.8
137.02452	15.7
143.03482	4.6
155.03484	16.1
158.30685	0.7
173.04546	100.0
191.05598	1.3
213.73766	0.9
251.99506	0.8
297.11935	10.8
312.32861	0.8
453.16177	38.3
460.55688	0.9
618.98248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90878	1.3
59.01383	100.0
112.07664	2.7
130.08742	2.9
149.02449	3.2
157.36658	1.8
164.04774	13.5
176.01257	1.6
177.01942	21.5
179.07159	2.4
190.02756	19.6
192.04315	9.6
205.05106	25.0
206.06017	3.4
221.08211	8.6
222.75117	1.8
223.06145	16.4
224.17720	1.7
225.16054	6.9
226.16496	1.9
265.07153	12.8
295.08371	2.8
300.61111	1.7
325.09387	1.9
326.11945	1.9
341.10275	8.4
344.12732	13.8
356.12781	2.3
359.15021	27.3
371.14990	21.0
385.11105	2.6
389.15964	4.2
398.37881	2.1
481.02396	2.1
547.40582	3.2
564.41339	2.7
565.41754	51.3
593.19086	23.4
611.19836	19.3
611.42377	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82815	1.0
55.98201	1.2
59.01383	100.0
67.11138	1.3
71.01382	13.0
72.99289	1.2
73.02900	1.5
80.14031	1.3
82.73232	1.2
85.02942	2.5
89.02441	11.0
101.02464	11.2
113.02445	9.8
119.03479	3.1
123.04548	2.2
123.14402	1.5
157.87631	1.5
161.04541	17.0
177.01939	1.9
179.05580	14.9
179.07153	12.3
190.02686	1.6
191.05577	3.1
195.06628	6.0
205.05072	3.1
223.06075	2.0
265.07095	2.7
449.14627	1.9
551.20837	2.4
566.59149	1.4
593.18750	6.7
611.20850	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15754	1.7
59.01384	8.7
69.41850	1.8
71.01360	3.7
85.02935	1.9
89.02430	8.8
96.95976	8.5
99.00877	4.7
101.02458	3.6
113.02431	10.0
119.05126	1.8
153.09207	64.5
175.73528	1.8
193.05107	1.9
197.08232	8.9
204.46286	1.7
225.36263	2.2
258.67545	1.8
285.11118	2.1
413.14465	9.0
431.15839	4.4
513.26947	3.4
528.77118	2.0
611.23523	100.0
611.32336	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.9
71.01376	4.1
72.99300	47.4
73.02948	1.9
78.95899	0.7
83.01373	1.0
85.02928	1.1
89.02435	2.0
99.04527	0.8
101.02451	5.4
106.51424	0.9
109.02987	0.9
109.06600	1.3
113.02458	1.8
123.04518	10.6
135.04512	13.8
149.21783	1.0
163.07622	1.2
164.57469	0.8
165.12830	0.9
171.10274	1.9
172.67836	0.9
177.05521	1.0
179.03494	45.1
197.04567	80.1
207.13992	1.9
209.11758	1.1
223.06143	1.1
233.11812	8.4
240.24535	0.9
251.12866	1.2
287.22281	2.0
300.13153	0.9
359.09879	5.1
382.16727	0.9
413.18384	1.1
418.52759	0.9
431.26453	1.7
449.27695	4.4
513.25867	1.1
567.30438	3.8
611.23584	100.0
611.32623	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15754	1.7
59.01384	8.7
69.41850	1.8
71.01360	3.7
85.02935	1.9
89.02430	8.8
96.95976	8.5
99.00877	4.7
101.02458	3.6
113.02431	10.0
119.05126	1.8
153.09207	64.5
175.73528	1.8
193.05107	1.9
197.08232	8.9
204.46286	1.7
225.36263	2.2
258.67545	1.8
285.11118	2.1
413.14465	9.0
431.15839	4.4
513.26947	3.4
528.77118	2.0
611.23523	100.0
611.32336	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.249
Annotation	Cheiradone
Peak:m/z	Relative Intensity
53.93853	1.0
57.38758	1.0
59.01389	9.5
61.21231	1.2
62.75404	1.1
71.01376	5.4
80.14098	1.2
85.02911	1.8
89.02428	5.0
101.02420	7.7
106.91219	1.1
138.03264	1.2
149.42163	1.1
153.05580	1.3
180.71286	1.4
193.01427	2.2
197.04170	1.2
208.03821	4.4
223.06123	1.9
237.49350	1.3
333.20636	4.9
351.21930	1.6
354.91974	1.3
453.23288	2.2
477.23264	8.3
513.26776	12.1
611.24561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2487
Annotation	Cheiradone
Peak:m/z	Relative Intensity
50.32333	1.2
57.03433	1.5
59.01383	8.0
60.29705	1.3
61.59630	1.5
61.98831	36.9
67.49712	1.6
71.01382	6.4
74.16393	1.6
78.95872	1.7
79.95736	1.6
81.79575	1.6
89.02431	3.0
101.02432	7.8
113.02456	2.8
134.03761	3.4
141.58736	2.1
146.49799	1.6
149.06050	2.7
163.65147	1.8
178.02744	4.0
181.22638	1.6
193.05104	11.4
194.91039	2.0
207.06584	1.6
223.06073	3.2
363.62128	2.0
449.27859	4.1
477.23511	11.1
611.24744	100.0
611.32813	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09722	1.2
54.48808	1.1
59.01370	11.0
66.05910	1.3
67.19283	1.3
78.95903	25.6
79.95733	8.9
96.96956	3.1
102.84618	1.3
103.64830	1.3
104.29945	1.3
118.20400	1.3
118.58607	1.4
125.59638	1.5
152.98351	1.8
152.99573	53.2
171.10268	27.3
192.31842	1.3
192.94984	1.5
241.01207	29.5
249.14880	2.1
277.21729	37.4
295.22754	21.7
305.17737	2.4
315.04910	3.1
358.90198	1.5
399.02368	2.0
551.29590	1.8
552.70624	1.5
611.28400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64583	0.9
78.95897	22.0
86.84990	1.0
96.96941	4.9
102.98099	1.2
108.89272	1.1
152.99580	54.6
155.10771	1.6
171.00603	1.1
171.10289	1.8
183.10271	28.6
183.13881	12.3
195.13864	2.1
223.00136	5.0
241.01208	24.2
259.02197	1.4
270.41113	1.0
277.21811	11.1
295.22830	34.5
315.04852	3.7
611.28400	100.0
637.31287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31297	0.7
57.95065	0.7
72.32749	0.7
78.95898	20.5
79.16999	0.7
96.18349	0.8
96.96967	5.7
102.05587	0.8
107.60332	0.7
109.63412	0.7
132.27122	0.8
133.00856	0.8
149.61896	0.9
151.11249	1.4
152.99576	43.1
165.91629	0.8
197.38855	0.8
223.00055	1.2
241.01184	35.0
251.23801	1.6
295.22806	100.0
315.04828	3.3
336.43878	1.1
431.21915	0.9
611.28448	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53148	0.5
56.01805	0.4
59.01353	0.5
69.21095	0.5
78.95457	1.0
78.95899	20.9
86.24493	0.4
92.22518	1.0
96.96953	6.8
113.09715	1.9
127.08993	0.5
142.80505	0.5
152.99588	39.6
171.00572	0.8
171.10291	3.0
179.14299	0.9
183.13887	0.7
195.13911	19.1
223.00093	3.0
241.01207	30.9
250.19406	0.6
259.02209	1.2
277.21753	19.9
295.22824	48.9
315.04932	6.3
333.05972	0.7
431.22015	0.7
433.60590	0.6
611.28448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	22.4
93.67358	0.8
96.96968	7.4
119.20417	0.7
131.60692	0.8
139.11278	0.9
152.99588	41.6
155.10748	5.6
171.10147	0.9
183.10272	44.5
195.13850	0.8
223.00320	1.1
223.39247	0.9
241.01195	38.3
260.05521	0.9
262.52890	0.8
277.21826	7.8
295.22818	35.1
295.65121	0.9
315.04825	4.9
323.12192	0.9
346.39294	1.0
508.60837	1.0
565.92108	1.0
611.28473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26188	0.8
55.01468	0.7
56.89657	0.7
59.23417	0.9
59.72363	0.9
60.11366	0.8
67.40570	0.8
68.57549	0.9
72.03943	0.9
78.95898	16.9
84.97415	0.9
89.26767	0.9
95.01567	1.1
96.96943	4.8
113.09711	1.0
142.53673	1.0
152.99588	48.6
171.23265	0.9
174.43141	1.0
175.86333	0.9
195.13901	21.9
207.98668	0.9
223.00122	5.0
241.01210	18.8
257.57620	1.2
259.02151	1.2
277.21722	23.4
295.19492	1.6
295.22836	42.7
300.06665	1.0
315.04889	1.8
437.25888	1.2
581.29651	1.0
611.28436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08653	0.5
59.01378	8.9
61.98821	1.5
63.54535	0.5
65.54620	0.5
70.76557	0.5
71.01385	0.7
77.63877	0.6
78.95902	33.5
78.96365	1.1
96.96938	8.6
97.56904	0.7
152.99588	89.5
171.00700	2.5
171.08862	1.2
171.10272	24.2
223.00090	1.0
241.01216	32.4
243.42081	0.8
277.21756	33.1
295.22827	24.1
315.04797	3.4
449.23141	7.6
611.28406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74392	1.0
78.95904	25.8
79.84191	0.9
89.76168	1.2
96.96953	8.8
110.86367	1.0
125.92715	1.0
152.99580	43.5
155.14392	1.9
163.66725	1.0
219.59975	1.1
223.00113	1.2
229.09277	1.0
241.01202	33.8
251.23819	1.3
295.22797	100.0
315.04858	5.8
351.13614	1.2
365.42273	1.2
431.22351	1.5
588.24152	1.1
611.28436	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
61.98809	1.4
65.92635	1.1
70.50465	1.3
78.95900	22.1
85.96445	1.1
93.03385	1.4
94.09261	1.1
95.23074	1.2
96.96941	3.0
111.29152	1.3
137.02440	8.8
152.99588	52.8
183.13911	60.9
223.00124	5.9
241.01221	17.3
277.21658	7.1
295.22830	32.5
315.04724	2.5
456.94775	1.5
611.28345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98818	1.3
71.01408	1.3
74.96143	1.0
78.95895	18.8
79.95722	2.0
80.96508	1.8
83.99623	1.1
96.96950	6.8
97.71764	1.2
110.30112	1.0
128.71408	1.3
152.99586	38.8
171.10318	8.4
183.10294	1.5
190.24545	1.1
195.13916	17.8
223.00212	2.8
225.00420	1.2
241.01195	26.7
277.21759	19.8
295.22784	37.0
315.04987	2.8
429.77216	1.2
485.15964	2.1
492.50546	1.3
525.18719	1.5
611.28381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57442	0.7
57.03459	0.9
59.01136	1.1
59.01385	17.4
59.15334	0.8
60.23006	0.7
62.64127	0.8
67.57893	0.9
71.01376	27.0
73.02943	9.4
74.02460	1.1
83.01383	4.0
85.02938	12.5
87.00858	1.3
89.02429	9.2
95.01393	1.0
96.01300	0.9
99.00871	4.6
99.05663	0.9
101.01775	1.2
101.02438	35.2
113.02444	16.9
119.03477	2.1
125.02386	1.1
128.03534	5.3
129.01932	1.0
143.03584	1.6
143.04613	8.7
159.03052	1.4
161.04536	11.1
179.04593	1.6
210.08731	1.2
272.08887	1.4
306.07623	4.7
389.21869	6.1
420.96011	1.0
479.87012	1.0
551.27161	100.0
611.14282	7.2
620.00525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
59.01383	24.4
64.97800	0.6
69.03451	0.5
71.01382	18.3
72.99306	0.6
73.02946	6.9
83.01384	2.9
85.02947	6.7
87.00886	2.4
89.02443	15.7
95.01371	1.3
97.02946	0.8
99.00876	1.1
101.02444	33.5
101.64741	0.6
111.00900	0.9
113.02453	14.9
119.03497	4.1
125.02448	2.5
128.03581	0.9
131.03485	3.1
141.01935	0.7
143.03477	2.4
143.04588	0.7
161.04550	8.6
179.05666	0.6
210.08701	0.6
221.06625	0.9
328.21500	0.5
345.38773	0.6
551.27167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
58.48236	0.2
59.01379	1.9
61.13100	0.2
63.09932	0.2
67.01881	3.7
71.01366	2.5
72.80921	0.2
73.02939	1.1
84.09434	0.2
85.02934	1.2
89.02451	0.3
99.00865	0.2
101.02449	2.1
110.33759	0.2
111.00871	100.0
112.01109	0.2
113.02435	1.0
146.98393	0.2
158.47444	0.2
161.04535	0.3
205.08975	0.2
223.06169	0.4
499.29214	2.0
575.70294	0.2
611.21503	0.7
611.31219	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69204	0.3
58.27082	0.3
59.01375	1.4
63.95992	0.3
67.01872	3.1
68.16238	0.3
71.01381	1.4
72.70574	0.3
75.64916	0.4
82.99013	0.3
84.01694	0.3
85.02959	0.7
96.65468	0.3
101.02417	1.6
111.00872	100.0
112.30335	0.3
113.02445	0.7
165.01971	0.4
180.04272	0.7
195.06641	1.5
321.07608	0.4
343.06082	0.4
434.49722	0.4
499.29156	2.2
563.19537	0.7
611.22052	1.1
611.30823	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54928	1.5
57.44239	1.9
59.01382	29.1
60.99294	1.7
63.96223	2.4
71.01378	12.0
71.56369	1.9
73.02957	7.8
85.02956	8.9
89.02438	10.1
101.02444	24.8
113.02433	11.2
115.04015	3.2
119.03485	3.1
140.58951	2.1
164.39268	2.0
222.57578	2.2
273.18460	2.4
291.19913	3.1
333.20798	11.0
351.21777	4.4
449.27466	3.2
482.10593	2.5
491.26578	4.1
513.21198	2.4
513.27057	98.4
551.28601	8.6
611.31018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.9
59.31033	1.7
59.85334	1.6
62.28920	1.6
71.01380	31.2
71.01738	2.7
72.99279	2.9
73.02924	14.5
76.09609	1.8
76.57034	1.9
83.01387	4.5
85.02961	18.7
87.00851	4.3
88.98802	2.4
89.02432	22.6
91.59140	1.7
96.96004	86.6
99.00875	3.8
101.02436	41.8
107.15034	1.9
111.00881	3.8
113.02454	15.7
117.05582	2.4
119.03490	4.3
120.01297	2.9
125.02431	2.0
129.40468	2.0
161.04535	4.7
189.97517	2.7
287.22498	2.2
302.38202	2.0
335.28040	2.1
449.27689	13.2
551.27246	35.8
593.51440	2.5
611.17340	4.1
611.33020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98708	0.8
57.50999	0.8
59.01384	15.6
61.98825	5.1
71.01373	14.3
72.99308	11.8
73.02944	4.6
83.01379	3.7
85.02965	6.2
87.00851	1.8
89.02435	5.8
97.02914	1.0
101.02441	19.3
113.02445	6.5
119.03506	1.2
123.04510	4.4
135.04515	4.9
161.04541	2.3
177.05540	1.2
179.03494	13.3
197.04584	20.7
199.13322	1.2
205.05194	1.4
214.15044	0.9
223.06073	1.5
264.59503	1.0
269.14139	1.1
269.21277	3.5
287.22299	13.6
361.19046	1.6
431.26450	17.9
449.27594	25.1
453.91125	1.2
551.26947	1.6
567.30261	1.8
593.32379	1.7
611.23468	28.1
611.32904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33818	0.6
59.01382	100.0
59.94342	0.6
68.10553	0.7
78.95907	9.1
79.87110	0.6
79.95760	1.4
96.53391	0.7
96.96954	1.6
113.00707	0.8
135.92873	0.7
136.04166	0.7
142.03110	0.8
152.99579	17.7
171.10245	8.7
175.07133	0.7
207.53000	0.8
241.01266	10.9
263.35397	0.8
277.21753	12.6
293.21185	0.9
295.22690	7.4
315.04617	0.9
327.39478	0.8
421.26096	0.9
509.31360	0.9
536.29803	0.8
551.32782	6.0
611.27435	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70714	0.7
51.18674	0.6
52.23045	0.7
57.71469	0.6
59.01384	1.1
59.74632	0.6
64.86312	0.7
68.05826	0.6
69.54045	0.7
72.99300	0.7
87.00871	100.0
88.04025	1.2
117.92248	0.7
185.22873	0.8
277.21722	1.3
352.26010	0.7
357.57333	0.7
397.94135	0.9
435.89017	0.8
444.78244	0.8
453.99820	0.8
611.39471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50449	2.1
85.33743	2.3
87.00871	100.0
92.23145	2.2
147.25127	2.3
151.59299	2.3
324.63287	2.1
580.71112	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.8
72.99004	1.7
72.99306	31.0
78.95914	1.8
79.95744	2.3
80.96506	21.6
83.20776	1.7
84.49953	1.6
85.68356	1.6
92.22517	3.9
94.34437	1.8
94.98061	2.5
95.62057	1.6
101.31141	1.9
123.04491	9.9
125.02421	2.4
135.04524	11.5
148.99152	2.2
152.98573	3.8
161.73120	2.0
164.98590	12.5
174.62819	2.0
179.03493	32.3
197.04526	39.3
210.73079	1.9
222.93898	2.0
225.00758	19.1
289.61789	2.2
390.59528	2.2
419.49820	1.9
537.32007	2.2
611.34607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68616	0.7
56.08855	0.7
59.01365	1.1
63.70066	0.8
70.53352	0.8
70.65275	0.8
78.01097	0.8
98.96771	1.0
105.65362	0.9
286.14331	1.0
305.24899	100.0
334.94653	1.0
358.75864	1.1
377.25632	0.9
569.26978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
66.20632	0.2
67.01884	1.9
67.50167	0.2
84.62673	0.3
85.64811	0.2
101.81528	0.3
111.00873	40.9
112.10507	0.3
119.96321	0.3
126.20948	0.3
133.01276	0.3
177.05629	0.3
181.69101	0.3
198.05766	0.3
257.29694	0.3
280.06000	0.4
294.07755	1.6
308.05673	73.5
322.07166	1.2
323.08023	62.5
338.10379	100.0
454.81003	0.3
500.15680	40.7
507.52426	0.3
612.17352	0.4
612.32434	0.4
612.93427	0.4
615.12781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00462	1.3
55.03797	1.2
59.01380	2.1
105.01912	1.9
113.77431	1.7
144.30733	1.6
197.90350	2.2
206.65952	1.8
227.47058	1.7
245.28633	1.8
291.08923	2.3
294.07642	2.9
295.08411	2.3
305.06946	3.5
306.07742	8.0
306.11255	2.5
310.10864	3.0
318.07727	9.5
320.09396	3.6
332.09283	9.9
333.10065	13.3
334.10922	8.4
346.07236	24.8
346.10944	4.4
347.07974	2.5
348.12421	43.8
360.08792	22.0
361.09695	12.3
362.14087	9.8
376.07849	25.1
376.12439	19.9
378.13641	2.8
390.09692	3.3
391.10632	15.3
406.13004	100.0
450.11908	12.9
524.87152	1.8
568.18335	19.4
612.17242	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05619	0.4
58.19325	0.4
59.01374	0.4
61.98806	0.4
64.50606	0.3
65.75116	0.4
66.64063	0.4
66.66232	0.3
92.15923	0.4
92.22513	0.9
105.60899	0.4
112.47626	0.4
157.24539	0.4
167.73297	0.4
177.02010	0.6
179.72980	0.4
191.59370	0.4
223.06395	0.5
234.05721	0.5
239.18542	0.4
247.06482	0.4
250.05228	1.5
262.05106	1.0
264.06662	4.0
265.07434	1.7
275.05887	0.5
276.06647	2.9
278.04605	48.7
291.05530	0.4
292.06119	4.3
293.06985	8.3
319.04828	0.5
322.03625	2.9
336.05103	0.7
337.05966	5.6
352.08313	100.0
514.13489	1.8
524.46185	0.4
612.17242	10.9
612.26367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40960	0.8
59.40058	0.8
107.03962	1.1
208.40886	1.1
224.06650	1.3
262.05231	1.7
264.06757	4.0
265.07474	1.5
276.06662	1.8
278.04596	60.5
292.06161	3.8
293.06985	9.3
306.08423	1.4
322.03491	3.8
337.06149	2.3
352.08279	100.0
385.62173	1.0
504.59396	1.3
514.13477	1.4
612.17029	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37609	0.8
54.27548	0.8
59.01377	1.0
60.36624	0.9
60.44151	0.9
61.98833	2.0
79.87930	0.8
92.23074	1.2
100.12141	0.9
106.91196	1.0
153.32816	1.0
154.79993	1.1
251.98701	0.9
299.87048	1.0
319.08453	4.7
330.07791	2.2
344.09299	1.7
345.10144	2.1
345.13855	1.3
348.12445	4.9
358.10831	2.2
359.11658	20.4
360.12589	1.3
362.10339	2.0
372.12579	1.5
373.13214	20.9
374.13995	42.3
376.11923	85.8
377.12540	3.7
390.13721	4.9
391.14279	64.6
406.16632	100.0
450.15631	61.0
612.20734	44.0
612.30090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70453	0.8
58.02745	0.8
58.02973	9.2
58.44040	0.8
62.83020	1.0
70.02971	7.2
75.09881	1.0
91.05533	7.1
111.08385	1.1
147.04532	14.6
149.68878	0.9
160.49541	1.0
162.05330	1.0
164.05765	2.4
164.07173	76.5
190.28546	1.1
199.94893	1.2
206.08232	100.0
250.07257	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09889	0.4
59.54670	0.5
66.03478	0.9
66.22385	0.4
71.01390	2.3
73.02904	0.4
78.32024	0.5
88.75637	0.5
91.53976	0.4
94.02982	9.8
101.02433	2.4
123.05611	0.5
124.04038	100.0
161.04585	0.8
210.07739	56.0
269.10287	0.8
299.35800	0.5
328.94955	0.5
370.98401	0.6
401.14560	10.4
420.90393	0.5
436.41052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96063	0.2
53.58764	0.2
54.82430	0.3
59.19071	0.3
59.41971	0.2
69.59527	0.3
78.95907	0.4
99.92583	2.8
101.52688	0.3
116.92848	100.0
117.01923	1.4
122.41194	0.3
124.30787	0.3
150.21478	0.3
158.82541	0.3
161.48145	0.3
164.85732	0.3
181.89577	0.3
587.36072	0.3
600.15387	0.4
612.25470	0.4
629.18469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
59.90914	1.7
61.62523	1.7
62.24283	1.9
72.00897	3.3
73.04086	2.4
74.02479	23.4
78.45282	2.1
81.99351	12.6
84.00911	9.9
84.80444	2.0
85.04086	2.3
87.05640	13.6
104.56150	1.9
113.03568	11.7
118.05121	21.6
124.83619	1.9
126.01954	13.8
127.95898	2.0
131.04611	13.2
142.79068	2.2
144.07793	100.0
170.09303	3.8
229.37042	2.4
280.94687	1.9
282.28003	45.6
305.24875	3.4
306.25104	2.8
322.27487	4.5
339.30249	13.6
353.31842	11.0
364.78937	2.3
375.27963	2.9
409.30902	3.1
410.34067	9.5
454.32791	17.5
484.33716	17.0
511.37045	2.4
528.36633	48.1
568.39648	11.2
594.00360	2.4
612.32330	3.8
612.42450	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86026	10.8
88.59502	11.3
91.69845	11.5
103.25378	11.3
127.10768	13.0
164.12852	15.2
280.12308	13.1
379.57379	12.8
559.83911	17.8
612.47577	100.0
643.72430	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61710	1.2
93.03401	1.5
116.17075	1.2
117.77685	1.4
144.58730	1.7
191.03943	2.5
191.05617	27.8
231.03485	2.3
234.08774	1.5
247.01358	18.3
289.02487	10.0
315.03955	9.2
317.01974	19.8
327.00351	2.8
331.05176	1.8
333.55203	1.7
343.03510	14.1
345.01575	2.4
359.02951	5.8
403.05609	28.8
421.06720	64.4
439.07343	2.6
613.13043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87084	0.6
59.01377	1.3
59.83818	0.7
71.01389	1.5
73.02934	0.9
79.71320	0.6
85.02932	0.8
89.02454	0.8
89.78901	0.7
101.02441	3.8
113.02418	1.4
117.03451	3.7
118.69638	0.7
123.04492	0.7
134.03731	69.3
149.02444	0.7
149.06073	15.5
150.03172	1.1
160.01682	4.7
161.04539	3.0
162.03159	0.7
163.04024	0.8
165.01962	5.7
165.05594	1.0
171.47752	0.6
175.03983	9.9
177.05554	2.7
178.02782	2.3
180.04309	10.1
193.05057	100.0
195.06638	10.7
210.05286	2.3
225.07681	7.3
235.06067	0.8
269.10321	1.4
301.01166	0.8
339.08682	1.2
357.13666	0.9
369.13531	3.2
383.13690	0.9
445.49829	0.7
550.06586	0.7
577.19342	62.0
613.22772	10.7
613.31183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12902	0.6
57.60836	0.6
59.01377	1.0
62.35046	0.5
65.46882	0.5
69.73281	0.6
90.92069	0.6
93.03429	0.7
94.21917	0.5
101.02450	0.7
102.88104	0.6
103.33434	0.7
104.09765	0.7
104.98471	0.7
105.91293	0.6
111.04493	2.4
116.92812	0.9
135.04523	38.9
141.74135	0.6
150.41351	0.6
155.03497	4.4
161.02428	3.1
173.04532	7.1
179.03500	100.0
191.05606	13.0
227.34201	0.7
239.40630	0.7
353.08841	1.2
399.89697	0.7
422.27075	0.6
439.12549	2.6
441.14038	0.9
562.19629	0.7
613.17816	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55581	1.1
56.37997	1.1
59.01371	2.4
67.01881	1.9
71.01347	5.0
84.56426	1.3
85.02941	2.9
93.03448	19.7
97.02906	1.7
103.32777	1.2
110.55544	1.4
111.04508	3.3
115.03967	5.6
135.04517	32.9
137.02397	3.3
155.03485	5.5
161.02446	45.2
162.09419	1.6
173.04543	77.0
179.03511	85.3
191.05624	100.0
277.67206	1.6
308.88370	1.4
341.08643	2.3
353.08899	15.8
410.76428	1.6
421.11508	16.4
439.12570	12.4
515.13757	2.6
613.17810	69.9
632.77679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55581	1.1
56.37997	1.1
59.01371	2.4
67.01881	1.9
71.01347	5.0
84.56426	1.3
85.02941	2.9
93.03448	19.7
97.02906	1.7
103.32777	1.2
110.55544	1.4
111.04508	3.3
115.03967	5.6
135.04517	32.9
137.02397	3.3
155.03485	5.5
161.02446	45.2
162.09419	1.6
173.04543	77.0
179.03511	85.3
191.05624	100.0
277.67206	1.6
308.88370	1.4
341.08643	2.3
353.08899	15.8
410.76428	1.6
421.11508	16.4
439.12570	12.4
515.13757	2.6
613.17810	69.9
632.77679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73167	0.7
51.93557	0.7
54.56865	0.8
55.01884	0.8
57.45776	0.8
59.01371	5.8
67.37718	0.8
71.01376	27.8
72.99310	1.2
73.02934	14.7
75.00848	1.2
76.78419	0.9
83.01384	1.8
85.02930	15.7
93.03461	1.5
95.01382	2.0
99.00861	1.7
101.02445	18.6
106.04255	7.9
107.05022	59.1
113.02446	11.2
121.02895	1.9
125.02447	1.1
133.01416	1.2
135.04549	4.3
137.02438	5.9
137.45023	0.9
143.03545	1.4
151.04005	100.0
151.05104	8.8
156.35860	0.9
159.03001	1.1
161.04550	23.0
173.12459	0.9
175.04115	1.1
179.03429	1.2
191.05635	3.8
221.85968	0.9
233.08250	1.6
270.09006	3.4
297.10916	6.9
301.10910	1.6
313.09323	51.5
467.08487	1.1
479.67789	1.1
522.65143	1.2
613.18481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70556	0.8
72.99308	48.9
109.02921	1.1
123.04525	21.5
133.01431	1.3
135.04532	28.5
159.03062	0.8
176.92450	0.8
179.01923	1.4
179.03510	48.8
197.04573	100.0
253.86317	0.8
270.97223	0.9
297.79904	0.8
549.78510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.36303	1.2
71.01378	7.4
79.07312	1.6
85.02959	1.7
87.00864	1.4
89.02439	8.2
89.77900	1.4
92.22548	1.9
101.02448	6.3
113.02470	3.5
115.04031	5.9
119.03488	2.5
127.78168	1.4
150.76396	1.4
157.39262	1.4
159.08127	1.8
159.11755	2.2
161.13339	12.3
187.11281	39.4
196.95247	1.6
205.12360	43.9
223.13292	5.5
229.12384	3.4
241.85773	1.6
249.11359	7.9
309.13486	45.7
375.98599	1.7
465.21701	1.9
471.18747	1.6
509.20261	5.7
527.21478	2.2
569.22473	55.3
613.33032	3.5
629.36682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66016	0.1
56.34225	0.1
56.90656	0.2
66.98873	0.2
79.95720	1.6
96.96005	100.0
123.35118	0.2
135.21910	0.2
177.01852	0.3
256.55676	0.2
259.83841	0.2
260.78354	0.2
337.96985	0.2
410.32309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28638	1.3
74.07929	1.2
95.18766	1.4
101.02414	1.4
137.02469	3.1
155.10770	7.7
165.01933	55.2
179.03503	23.2
180.04295	100.0
194.05885	8.5
195.02969	6.0
195.06644	89.4
195.08009	1.9
199.09787	1.3
210.05339	22.8
210.30540	1.4
225.07701	54.5
297.11508	1.8
323.09274	5.5
324.10135	2.7
326.11664	7.0
327.08813	9.4
339.08801	17.1
339.12323	2.5
342.10931	9.8
357.13452	19.5
369.13565	23.9
379.10297	1.6
517.18964	1.5
535.17444	1.7
565.20837	55.2
613.23145	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75139	1.0
71.01408	2.1
80.41045	1.2
86.79665	1.0
90.29993	1.3
122.03712	2.9
122.07609	1.4
136.60463	1.2
137.02484	1.4
149.02422	9.5
150.03227	72.3
164.04811	9.4
165.01962	6.0
165.05559	100.0
166.02783	8.8
180.04300	17.0
181.05052	13.3
195.06633	63.4
205.04993	1.6
223.06142	5.9
225.07744	7.4
270.79123	1.3
275.72202	1.4
387.10773	6.0
387.14990	2.5
417.15591	20.6
475.00906	1.2
546.17645	1.4
565.20837	6.0
613.22382	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60472	1.9
53.71384	2.2
59.01390	3.0
71.39522	1.9
76.32581	2.4
87.67991	2.1
93.93008	2.2
102.00758	2.2
116.92883	2.5
122.03737	4.0
137.02441	5.5
149.02469	12.4
150.03233	73.6
151.03986	8.4
152.04880	2.7
164.04825	4.1
165.01924	9.8
165.05560	100.0
165.06963	4.0
166.02695	17.0
179.03459	2.9
180.04295	21.9
181.05081	23.4
195.06633	56.4
205.05101	10.2
225.07805	7.9
269.08267	21.1
387.10501	4.2
387.14673	10.8
417.15646	28.0
531.93182	2.6
535.16119	10.8
565.20801	61.5
613.23541	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46986	1.3
54.66954	1.3
69.00676	1.3
69.69358	1.5
70.57662	1.6
70.64468	1.6
70.84151	1.6
73.02939	1.6
77.95888	1.6
82.03465	1.4
82.16195	1.7
104.81467	1.6
115.03997	3.0
122.03717	2.3
123.04449	2.5
134.03754	18.7
137.02419	2.6
149.06075	2.8
150.03241	30.7
160.01601	2.3
160.70256	1.8
163.04042	2.1
164.04776	4.1
165.01935	48.3
165.05574	32.4
175.04089	3.8
177.05606	9.8
178.02728	3.0
179.03470	7.9
180.04291	77.1
191.07162	1.9
193.05090	34.5
194.05771	4.0
195.02969	3.7
195.06644	87.8
205.05057	7.6
210.05389	18.0
221.04640	2.9
225.07732	60.8
235.06114	19.5
249.07727	15.2
327.08868	6.7
339.08621	13.1
342.11142	2.9
357.13641	15.9
369.13419	19.8
402.13464	2.5
417.15594	7.3
565.20483	8.9
577.19177	13.8
613.23090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30805	1.2
60.24003	1.3
68.29362	1.3
68.99812	3.1
83.38226	1.3
91.32521	1.3
123.00889	1.5
138.03207	6.9
139.04031	1.7
153.01913	3.1
153.05557	22.6
165.01930	2.2
168.04277	1.8
176.01117	10.8
178.02763	3.1
179.03438	1.6
180.04346	1.7
191.03487	15.0
192.04269	7.0
193.01465	14.9
193.05025	14.2
195.06651	1.8
207.06621	38.5
208.03786	37.7
209.04478	1.9
221.09041	1.4
223.06137	39.2
272.97220	1.6
329.10403	3.2
341.10263	9.5
344.12640	13.5
356.12817	6.1
359.15085	14.4
613.22992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
59.01381	38.6
60.18267	0.6
71.01382	12.3
73.02938	5.5
76.90965	0.7
83.01389	4.2
85.02934	7.8
85.72267	0.7
89.02422	2.7
95.01336	0.7
99.00861	1.1
101.02435	20.6
113.02451	9.6
125.02602	0.8
166.06357	11.0
167.07208	1.1
181.08710	44.0
224.60561	0.8
280.49768	0.8
281.88242	0.8
328.11700	1.1
343.14005	100.0
345.09967	0.9
551.47131	0.9
553.23053	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47236	0.9
83.24020	0.9
88.14878	0.9
91.86098	0.9
96.96006	100.0
136.47499	1.1
159.80016	0.9
172.74901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.4
62.45417	0.2
79.95735	1.0
80.47140	0.2
96.96001	100.0
100.38995	0.2
101.38902	0.2
124.85526	0.2
138.87126	0.2
188.91568	0.3
218.60481	0.2
222.67433	0.3
256.74203	0.3
374.25671	0.3
454.83966	0.3
617.64368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01413	1.1
79.95738	92.3
80.96516	16.6
94.98067	2.1
105.06396	1.0
122.97504	1.2
136.99121	1.3
152.98592	2.1
161.04599	2.1
164.98645	4.2
206.99709	9.3
225.00752	15.8
241.00208	7.7
243.70813	1.1
272.25684	1.2
289.93579	1.1
299.04385	6.0
315.04004	2.6
341.05402	5.2
357.05255	1.2
371.06586	11.1
385.08194	7.0
399.09833	12.8
413.11243	6.5
483.15366	15.3
595.28204	5.1
613.29095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
60.31831	0.5
62.16307	0.6
64.39277	0.5
71.01355	1.5
78.98581	0.9
79.95741	5.8
80.96513	18.9
85.02955	1.0
87.00887	1.1
94.98083	6.9
97.02956	0.8
101.02405	1.4
103.51508	0.6
107.93771	0.8
122.97561	0.9
125.02369	1.7
125.62191	0.7
134.97568	1.6
148.99092	3.1
152.98602	3.6
152.99675	0.9
155.77675	0.7
164.98630	12.3
183.10298	5.8
206.99704	3.5
210.30980	0.8
225.00743	31.4
231.35704	0.8
240.89737	0.7
259.69315	0.7
291.19708	1.0
297.24261	0.8
299.04477	6.1
413.11520	1.2
432.42545	0.7
455.15991	1.0
483.15500	100.0
486.26086	0.7
579.28864	0.9
595.28314	3.3
613.29089	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95204	0.9
64.29342	0.7
66.08237	0.8
73.74921	0.9
78.95907	22.4
85.17854	0.9
86.27684	0.8
89.33879	0.8
92.28793	0.9
96.96967	4.7
120.67439	0.8
122.30034	0.9
129.27185	0.9
143.00880	0.9
144.90427	0.8
152.99593	52.6
155.10802	7.2
171.00589	1.4
171.10242	6.0
200.73036	1.0
201.28448	0.9
223.00151	6.1
241.01202	24.2
259.02393	1.1
279.23328	16.0
297.24384	80.9
315.04913	4.3
390.94662	0.9
613.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2997
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
60.22921	2.8
78.95908	18.2
96.95888	3.1
96.96962	6.9
109.94255	3.2
111.34516	3.3
132.83000	3.6
139.23026	3.1
152.99579	60.2
154.50928	3.5
155.10759	3.5
229.46309	3.8
241.01151	34.2
279.23227	14.5
297.24420	85.9
315.05002	6.7
323.01340	3.8
564.44391	3.7
613.30035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3026
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
59.01377	6.5
66.91821	0.8
71.01360	1.6
82.29913	0.7
83.01384	0.7
85.02936	1.3
87.00857	0.9
89.02436	4.1
93.03449	9.4
95.88445	0.7
101.02423	4.9
113.02422	1.3
136.01662	3.9
137.02444	55.7
179.03468	7.5
181.06335	0.8
219.34044	0.8
221.04488	1.1
222.03711	0.9
239.05682	5.0
281.06784	1.1
474.01505	1.0
564.77521	0.8
595.22064	1.3
613.30225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50746	1.0
55.52559	1.0
58.00594	1.3
59.01384	15.3
71.01383	19.4
73.02950	9.1
81.67454	1.0
83.01380	2.2
85.02952	10.5
87.40897	1.2
89.02436	9.8
99.00894	2.5
101.02434	27.1
109.49784	1.2
111.00896	1.9
113.02449	10.1
114.06258	1.3
119.03513	1.5
123.92500	1.3
135.59727	1.2
152.98578	1.6
159.02927	1.4
161.04553	5.4
169.14566	1.4
191.47740	1.4
229.18094	1.7
356.72565	1.4
391.23376	2.4
419.56421	1.4
553.28772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03454	0.7
59.01382	8.3
61.98848	0.9
66.21602	0.6
71.01377	18.4
73.02947	7.3
75.68659	0.6
83.01381	1.3
85.02949	7.4
89.02453	8.1
89.81152	0.7
95.16904	0.7
99.00896	9.8
101.02451	18.4
103.02325	0.8
113.02447	15.5
143.03447	0.9
159.02972	1.1
161.04573	4.3
191.05592	1.2
299.20175	8.1
319.22812	58.1
324.54712	0.9
481.28070	3.9
608.76898	0.9
613.32404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37888	0.4
51.97888	0.4
59.01387	4.6
67.01898	0.5
71.01376	4.4
72.99310	0.9
74.48163	0.5
78.98777	0.4
87.00861	1.1
89.02429	0.6
92.23050	0.7
95.04981	0.9
97.02956	2.5
101.02422	0.6
111.04505	0.9
113.02449	0.7
139.04030	6.1
199.92934	0.4
250.67783	0.5
253.21750	100.0
267.23441	0.6
294.64548	0.5
295.22742	0.6
351.25494	2.4
359.13556	2.9
365.26852	4.2
371.80042	0.5
376.21692	0.5
393.26553	4.3
613.36066	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
95.05026	3.3
108.74126	0.6
109.44598	0.7
113.09697	2.3
115.72883	0.6
116.92876	0.7
118.35596	0.6
143.29771	0.6
177.12892	0.9
179.14441	2.4
181.89697	0.6
195.13911	28.3
217.12100	2.9
237.14729	2.1
246.12454	2.5
277.21716	27.9
278.11359	10.8
295.22803	100.0
299.19913	2.3
309.06113	0.7
315.19330	2.4
317.21027	37.5
514.36627	0.7
613.44543	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96137	0.8
71.97404	0.9
81.66070	1.0
85.28698	0.9
88.73245	0.9
113.36150	1.0
155.10687	1.4
156.67694	1.2
171.10269	35.3
183.10252	13.9
191.06909	1.4
249.21976	1.2
277.21744	56.7
294.57404	1.0
295.19476	2.0
295.22794	57.2
317.21173	74.3
327.53543	1.0
334.17221	1.1
505.15524	1.2
565.72253	1.2
613.44556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73553	0.5
52.21570	0.6
54.08382	0.5
54.88062	0.5
55.84903	0.5
63.42153	0.5
67.14661	0.5
83.60066	0.6
91.53978	0.6
106.22282	0.6
111.08115	4.5
115.92078	1.3
129.44783	0.6
137.03664	0.6
156.44373	0.7
180.13370	0.7
180.52542	0.7
183.13907	100.0
189.35347	0.6
190.31526	0.6
198.00262	0.7
203.10538	1.2
211.13339	1.1
221.11609	0.9
223.13153	17.0
235.09357	0.7
237.10966	0.7
267.12164	4.0
277.21689	12.0
295.22809	60.2
317.20975	6.4
566.80396	0.7
613.44580	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.01360	0.5
71.08263	0.6
82.98575	0.5
86.56955	0.6
116.92846	0.9
143.27650	0.7
289.36154	0.8
333.97507	0.7
345.30356	0.6
389.12463	0.9
434.12573	3.3
510.93182	0.8
570.23944	0.7
614.18439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
62.76344	1.0
94.50306	1.0
105.81703	1.1
118.35352	0.9
135.08167	1.6
137.09738	4.0
155.14427	9.2
255.10246	19.3
275.20193	5.6
277.21774	2.4
278.08316	1.3
295.22812	16.2
306.07764	63.8
428.15076	10.6
520.16565	1.1
539.14856	1.0
584.30377	26.3
592.67932	1.0
614.31372	100.0
638.69287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40842	1.0
51.76026	0.9
51.88049	0.9
59.34889	0.9
91.55287	1.1
125.09705	21.2
128.39713	1.2
137.83148	1.0
143.56345	1.0
151.11282	48.0
162.05592	14.1
213.22945	1.1
213.31291	1.1
259.20557	1.5
277.07483	1.2
277.21683	8.4
278.08249	11.9
295.22809	19.1
304.05942	1.6
306.04214	1.6
306.07718	39.0
307.08539	6.6
319.01016	1.3
447.32236	1.2
584.30029	7.7
614.31305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52959	0.4
69.48221	0.4
78.95917	6.6
136.07135	0.4
140.01175	2.3
152.99582	10.6
195.13895	0.6
196.03813	13.2
196.14267	0.5
205.82292	0.4
214.04871	2.6
244.57133	0.6
255.23328	100.0
268.06082	0.9
278.22107	0.8
295.22836	2.7
296.23117	1.6
370.22211	0.5
452.27863	11.3
480.64606	0.5
494.29333	1.0
539.20123	0.5
570.07465	0.5
614.33289	43.9
614.44275	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06474	1.1
72.73747	1.1
78.95911	4.7
104.15282	1.4
122.00140	4.5
152.99591	16.9
196.03828	6.9
214.04878	1.5
240.25558	1.2
255.23325	100.0
268.06018	2.1
439.95309	1.2
452.27863	7.1
567.63165	1.7
614.33215	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43676	7.0
54.57423	7.3
57.18043	6.5
57.27611	6.4
57.46264	6.7
75.04449	7.1
114.78119	8.6
148.09282	9.4
280.79343	9.2
451.34244	8.2
607.55200	9.7
614.49500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55028	0.7
57.70353	0.6
71.01376	1.0
82.58689	0.8
90.31350	0.9
94.37463	0.8
108.02169	22.1
109.02955	12.2
131.44537	0.7
137.02451	7.5
151.03970	0.9
151.99910	1.9
152.01152	54.0
153.01936	24.2
165.01913	1.7
175.04359	0.9
197.92535	0.8
212.27701	0.9
240.97849	0.8
299.07837	0.9
299.89075	0.8
315.07272	100.0
351.21762	0.9
394.94928	0.8
473.12183	0.9
565.61816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05672	1.1
59.01373	4.9
59.04930	0.9
69.01233	1.1
71.01391	2.5
77.12230	1.0
79.82588	1.0
85.02948	2.7
85.30788	1.0
87.00848	1.2
93.03454	7.1
101.02439	1.4
108.02172	20.7
109.02938	18.4
111.04457	1.5
119.05021	7.8
121.65424	1.1
137.02460	10.8
151.03992	1.6
152.01147	54.5
153.01936	27.5
153.65033	1.3
155.03510	2.3
163.04031	15.2
173.04552	57.7
178.13593	1.2
191.05647	8.1
217.08727	6.8
253.88899	1.4
261.07675	4.7
299.07767	1.8
315.07263	100.0
340.93304	1.2
494.53085	1.2
555.17096	11.6
615.19354	20.9
635.72906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47161	0.6
59.01363	0.9
60.16311	0.6
63.67467	0.7
71.01378	0.9
71.22520	0.7
72.99298	5.9
74.78083	0.7
85.02941	3.0
115.04073	0.8
125.03558	100.0
129.01950	5.3
129.72134	0.7
134.81725	0.7
150.05612	4.1
179.03430	5.8
193.06204	2.9
197.02878	1.1
197.04575	16.8
212.05681	1.2
255.06265	76.3
313.10056	0.8
359.09854	19.1
519.18909	0.9
617.36407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.194
Annotation	Doliculide
Peak:m/z	Relative Intensity
50.49793	0.6
51.64647	0.5
58.74147	0.5
59.01374	5.8
71.01381	2.8
71.38480	0.5
71.53432	0.6
74.02746	0.6
74.18177	0.5
78.38359	0.6
79.93342	0.5
85.02947	4.1
87.00875	0.9
89.02448	5.0
93.03445	6.3
101.02417	2.9
111.04512	2.7
113.02424	1.0
119.03560	1.1
119.05029	15.9
127.04025	1.1
137.64153	0.6
149.40770	0.6
151.58545	0.5
155.03485	3.8
163.04005	43.9
173.04562	14.1
173.09785	1.0
191.05623	100.0
191.10791	2.7
195.78117	0.7
217.08704	20.2
261.07724	9.1
277.09476	0.8
279.08432	1.0
279.11121	2.1
321.09833	3.6
335.13528	4.1
337.09360	3.1
340.65607	0.7
525.16223	1.4
555.17487	9.6
591.10590	0.7
599.22369	0.8
615.19421	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20846	0.5
52.94405	0.6
57.15789	0.5
59.01383	3.4
65.40292	0.7
67.01879	0.7
71.01373	3.5
71.85141	0.7
85.02943	3.0
86.39655	0.7
89.02452	1.3
93.03445	11.0
111.04531	4.5
117.45490	0.7
119.05019	13.9
127.03994	0.9
137.02448	4.7
148.65944	0.7
154.10527	0.7
155.03508	5.5
163.04028	28.3
173.04555	100.0
191.03990	1.4
191.05627	22.9
217.08685	10.2
261.07770	7.0
310.31497	0.7
321.09778	1.0
337.09293	6.7
435.12970	1.6
525.16144	1.0
555.17218	21.6
591.36664	0.7
615.19440	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
85.01004	0.5
96.96023	0.6
102.27783	0.4
111.02054	0.5
134.03748	35.6
137.02444	3.5
149.06082	23.1
149.07005	0.4
150.03183	2.8
164.55687	0.4
165.05638	4.2
178.02722	48.1
180.04317	0.7
189.82596	0.4
193.05074	100.0
195.06653	2.4
198.37224	0.4
212.61122	0.5
271.06012	0.8
299.36453	0.5
302.47232	0.5
552.58685	0.6
567.18829	0.6
615.21252	4.5
627.43756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
59.10701	0.7
59.79369	0.6
60.68341	0.6
61.98825	2.9
67.15219	0.5
71.41345	0.5
82.58636	0.6
96.96056	0.7
110.31862	0.6
113.92487	0.7
122.03667	0.7
123.04496	1.0
126.96904	0.7
134.02725	1.3
134.03735	31.5
137.02438	3.5
149.02306	0.7
149.06068	16.7
149.07185	0.8
150.03238	6.3
164.04794	1.0
165.05550	6.0
177.05576	0.8
178.02710	40.6
180.04308	1.4
193.05064	100.0
195.06645	3.1
196.07422	0.8
205.05095	0.8
211.09799	2.6
223.06218	1.1
278.49411	0.7
393.18167	1.1
419.13550	1.5
512.83563	0.7
557.55377	0.8
615.21222	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00956	0.9
59.01384	17.1
60.87307	1.0
64.60758	1.0
68.55830	1.0
71.01376	4.7
73.02936	5.2
87.00872	7.8
88.16040	1.1
89.02442	1.3
101.02427	5.3
105.01922	2.7
113.02410	1.6
134.03738	69.9
137.02449	6.4
138.18478	1.1
139.03970	1.5
146.03679	1.7
149.02414	1.2
149.06071	34.1
150.03210	17.7
151.03981	7.3
164.04771	1.2
165.01892	6.2
165.05547	20.3
166.02666	9.6
178.02727	80.1
179.03499	2.6
179.07120	5.7
180.04260	7.8
181.05084	19.7
192.04306	6.8
193.05069	100.0
195.06615	6.5
205.05032	1.5
207.06625	10.8
210.73297	1.1
211.06158	2.7
223.06100	1.2
225.07652	1.5
273.18555	2.2
289.97949	1.2
297.07739	2.3
318.12411	1.4
355.61505	1.4
356.08911	1.4
357.09659	1.7
359.11288	1.9
419.13531	6.2
451.48737	1.1
471.09943	1.2
495.26144	3.9
498.36948	1.2
555.28003	13.6
597.20007	8.5
615.20837	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84803	0.7
59.01382	100.0
65.61344	0.9
67.60923	0.9
71.01382	1.1
85.02964	1.1
93.03431	1.0
101.02410	0.9
103.00365	41.1
103.04032	6.9
104.38972	0.9
133.05066	61.2
151.78093	1.0
163.04033	2.0
171.40276	1.0
173.04527	7.8
175.06123	15.8
179.01736	1.1
191.05632	2.2
193.67345	1.1
219.05148	3.5
227.60678	1.0
264.56522	0.9
586.08612	1.0
615.19275	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56754	1.7
54.01293	1.4
59.01380	100.0
59.01678	3.2
77.17352	1.8
88.32512	1.6
93.03432	1.9
94.36340	1.9
96.96000	3.1
96.96941	1.9
103.00372	38.4
103.04018	2.0
109.14819	1.7
119.05006	2.3
133.05057	61.4
135.04478	1.9
159.60390	2.2
163.03969	4.3
166.14091	1.6
173.04524	13.8
175.06111	13.0
191.05724	2.6
201.33054	1.7
219.05145	3.2
224.22481	1.7
225.21219	1.8
293.21335	2.1
615.19275	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.23367	1.1
77.76297	1.2
92.23138	1.8
103.00369	42.8
103.03997	6.6
133.05064	61.7
175.06068	14.3
182.80638	1.3
219.05099	7.1
223.70670	1.4
246.50645	1.4
268.20734	1.4
351.83838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.4
68.28331	1.9
71.01384	9.2
73.02941	17.6
83.01394	3.7
96.95999	2.7
97.04526	2.1
99.00894	4.3
100.01675	2.1
101.02433	15.3
101.15255	1.7
111.00873	8.8
113.02412	2.8
113.99582	43.6
115.00362	22.3
128.01155	3.6
139.00375	4.2
156.00641	72.3
157.01463	2.0
174.01689	100.0
175.02480	9.6
180.01564	1.7
188.67824	1.8
193.05038	3.9
223.06189	2.2
228.23653	1.8
276.65442	2.3
287.16574	2.7
485.83752	2.1
509.24075	11.9
511.21991	32.6
553.22565	10.1
554.77057	1.8
571.23969	7.4
585.30023	2.3
615.23486	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35070	1.2
59.01383	24.5
59.03714	1.3
61.98798	1.5
62.20544	1.2
65.46846	1.2
69.51611	1.3
70.61236	1.3
71.01375	9.9
73.02938	21.1
83.01371	3.2
85.02966	2.7
89.02459	2.4
93.87482	1.4
96.95993	1.9
99.00867	6.3
100.01647	3.0
101.02455	15.3
103.92279	1.3
107.47000	1.3
111.00871	11.3
111.36327	1.3
113.02444	6.1
113.99588	41.2
115.00347	18.5
128.01164	6.9
134.03749	6.0
137.02431	3.3
139.00380	7.3
149.06046	1.4
150.03117	1.5
156.00650	64.4
157.01372	2.6
161.02448	5.2
161.04633	1.6
164.04807	1.9
170.81281	1.5
174.01689	100.0
175.02457	5.9
178.02760	7.8
179.03513	2.0
191.05719	1.4
193.05113	17.2
246.17683	1.7
287.16650	6.2
509.23849	7.3
511.21854	31.9
553.23077	9.6
571.23962	7.5
615.22668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2447
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.24352	1.1
59.01384	12.9
71.01371	8.6
72.99271	1.7
73.02942	2.2
87.00839	1.7
89.02435	6.8
99.00864	3.0
101.02447	11.9
105.79634	1.2
113.02452	5.3
119.67133	1.3
150.03229	1.5
161.04570	15.1
165.05598	1.5
205.80739	1.3
241.07329	1.8
272.17889	1.4
276.29919	1.3
291.18246	2.0
315.18192	20.7
377.72824	1.5
447.22369	24.3
481.20789	2.3
555.26624	4.5
567.22638	2.0
579.26575	38.5
615.24310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98330	1.4
54.00033	1.5
76.24180	1.6
77.91245	1.8
92.68756	1.6
102.39251	1.8
104.23318	1.7
106.75626	1.6
107.74770	1.7
115.31799	1.6
137.02441	2.8
153.05504	2.1
163.04004	3.7
165.01918	65.3
167.03514	2.5
177.05585	7.0
178.02678	2.3
179.03506	26.8
179.07043	2.1
180.04282	100.0
189.05656	2.2
189.96976	1.7
190.06374	13.6
191.07137	2.2
193.05084	8.8
194.05861	16.2
195.06642	92.0
205.08696	13.8
207.06650	3.5
208.07417	21.6
210.05296	21.1
222.08951	7.6
225.07695	37.7
345.13550	6.9
359.15091	44.0
388.15268	2.1
389.16092	3.6
537.17291	3.2
567.22437	61.0
577.18970	2.3
615.24634	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2462
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
52.30442	1.3
55.70361	1.4
59.01386	3.2
82.55149	1.5
91.23090	1.5
111.04496	1.6
134.03731	18.4
137.02399	2.8
137.89902	1.6
149.06064	2.4
150.03172	14.1
163.04018	2.2
164.04753	2.0
165.01932	49.9
165.05592	14.6
175.04031	3.9
178.02623	1.6
178.55214	1.6
179.03523	29.6
180.04291	100.0
193.05107	19.7
194.05809	8.7
195.03020	3.6
195.06648	96.8
205.12181	1.8
210.05307	18.6
214.21921	1.6
225.07674	43.8
282.21112	1.7
327.12518	5.5
328.13147	13.7
329.10370	9.2
341.10416	11.6
344.12717	14.7
356.12473	2.4
359.14941	13.7
371.14957	14.4
389.15991	3.8
537.17181	11.1
567.22375	58.1
615.24719	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80064	1.1
59.01377	2.1
61.98833	2.4
65.65530	1.3
66.27117	1.2
71.01378	1.6
84.08458	1.2
98.73559	1.2
115.03944	2.6
118.72668	1.2
123.04478	2.5
145.02945	1.9
147.04532	2.0
149.02448	8.5
149.06068	1.4
150.03220	63.1
151.04012	2.6
152.04889	1.7
160.04077	1.8
163.04025	3.2
164.04779	7.5
165.01883	1.7
165.05560	100.0
175.07755	1.4
177.05516	6.7
179.07132	3.1
180.04289	12.4
189.05600	2.3
190.06308	10.1
191.05606	4.7
191.07161	4.6
193.05087	2.8
194.05861	3.2
195.06635	33.0
202.74913	1.3
203.07220	1.9
204.08049	1.4
205.05141	2.3
205.08762	15.9
206.05893	3.3
207.06657	13.1
208.07443	13.6
222.09027	12.7
241.09901	2.1
257.12933	2.8
283.82074	1.4
313.11853	5.8
323.09116	2.0
389.16086	35.4
389.20685	2.4
463.98605	1.4
477.15594	6.5
492.18115	1.8
508.05542	1.5
537.21387	44.6
567.22198	3.0
585.23547	68.8
615.24744	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
64.13051	0.5
64.43169	0.7
71.01358	1.2
73.02949	0.8
79.19304	0.5
85.02914	0.8
100.82263	0.6
101.02438	2.4
103.27517	0.6
105.19705	0.6
113.02466	1.1
115.03977	0.8
120.99646	17.1
172.71835	0.7
176.06255	0.6
182.24344	0.6
190.91211	0.6
305.21201	2.8
331.19083	1.2
467.26370	2.6
493.24603	2.3
511.25500	100.0
615.24786	18.8
643.42688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70774	2.4
62.88517	2.4
71.01392	3.7
72.99286	4.6
75.24274	2.6
78.36096	2.8
80.54351	2.5
104.40991	2.6
115.00351	40.2
133.01425	100.0
151.75406	2.9
179.03571	3.7
197.04492	11.6
219.66603	3.1
344.23697	3.4
400.81390	3.5
522.48206	3.8
631.27386	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59304	0.6
53.76298	0.6
56.84767	0.6
59.01379	1.3
71.01369	1.7
73.02930	1.6
81.06631	0.7
82.77625	0.7
85.02925	2.7
99.00871	1.1
101.02464	6.0
101.77146	0.8
113.02446	1.8
121.02970	1.1
138.03680	0.8
139.08440	0.8
147.04539	8.8
149.02435	32.7
161.04549	2.0
164.04796	99.9
175.00403	1.1
179.07176	9.6
190.02687	11.2
205.05058	14.8
208.03777	3.5
215.77718	0.8
223.06122	100.0
248.51097	0.8
277.16528	1.8
358.45056	0.8
391.19696	1.6
536.45380	1.0
615.26660	45.9
615.36243	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2801
Annotation	YM 47524
Peak:m/z	Relative Intensity
59.01383	10.8
61.98826	2.2
63.77980	0.8
70.98537	1.2
71.01384	4.8
73.02958	2.4
85.02940	1.4
89.02438	6.5
95.01373	1.4
96.95983	1.9
100.16541	1.0
101.02444	7.3
113.02435	2.6
113.17561	1.3
119.03518	2.2
135.03606	1.1
137.02425	7.7
147.73854	1.2
150.03192	1.9
162.52791	1.1
165.05629	2.5
181.04810	1.1
208.03862	5.1
223.06116	7.9
223.08336	1.1
257.68112	1.2
555.28754	1.5
579.30261	33.1
579.38379	1.8
615.28107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2796
Annotation	YM 47524
Peak:m/z	Relative Intensity
53.13306	1.8
58.45432	1.5
59.01381	3.8
61.28907	1.6
71.01377	5.2
72.99300	2.3
85.02945	2.3
89.02459	3.0
89.39480	1.8
95.36483	2.0
96.95992	8.5
101.02431	7.9
108.68985	1.9
113.02464	2.5
119.34485	1.9
123.00817	2.3
134.03754	2.8
165.05531	2.8
177.05653	9.7
178.02757	10.4
193.05060	16.6
289.33258	1.9
328.09662	2.6
353.33539	2.5
362.45313	2.5
490.14056	2.3
567.89319	2.6
579.30322	48.2
615.28278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46669	0.2
58.03144	0.3
59.01369	0.5
72.76986	0.3
74.42936	0.2
85.02946	2.6
87.00832	0.4
93.03461	1.1
100.33178	0.3
111.04560	0.4
127.03999	1.1
134.03792	0.3
163.60577	0.3
173.04541	0.5
185.49182	0.3
191.05629	100.0
193.05020	0.5
456.23709	0.4
483.61743	0.3
615.30188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36415	0.2
52.84600	0.3
75.73896	0.2
84.75542	0.2
88.72878	0.3
97.06571	1.4
98.64943	0.2
98.65636	0.3
123.08205	0.4
125.09713	45.9
131.97621	0.2
143.10736	0.6
169.08688	1.8
187.09764	100.0
188.90115	0.3
582.89252	0.3
589.63837	0.3
620.50928	0.3
625.04541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3183
Annotation	Chondramide C
Peak:m/z	Relative Intensity
54.37061	2.5
57.96801	2.5
58.87240	2.6
59.01390	32.0
59.29559	2.3
60.89103	2.3
65.51669	2.6
71.01379	16.0
73.69918	2.7
77.68198	2.6
85.02957	4.1
88.52782	2.9
89.02429	13.6
101.02432	14.8
105.33761	2.9
113.02464	6.5
119.03542	3.1
164.50012	2.7
201.09206	4.2
241.12460	3.8
254.12961	3.9
256.14688	26.4
324.20947	5.9
329.67947	3.5
409.27374	3.8
553.18420	3.2
571.32806	33.6
590.84442	3.8
615.31799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43575	0.7
67.68496	0.6
92.22506	1.3
117.03429	3.6
118.04266	2.4
121.02917	3.8
123.04483	0.9
132.05817	22.6
133.02971	0.8
145.02953	60.4
146.03741	1.5
162.03262	1.6
167.75478	0.7
175.03976	2.7
516.07489	0.8
571.37659	1.0
615.37006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3698
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
53.67905	0.3
64.48736	0.4
99.65839	0.4
104.35921	0.4
105.01969	0.4
109.14597	0.4
121.72070	0.5
133.02922	1.9
134.03717	2.3
135.04509	1.9
137.02429	0.9
139.03999	0.6
161.02451	22.5
178.02708	0.9
179.03496	3.0
235.75699	0.5
279.23175	0.9
318.35278	0.5
407.25223	0.5
449.04510	0.6
461.92792	0.5
556.34442	0.5
571.38013	83.4
575.02240	0.5
615.37012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19480	0.9
56.42829	1.0
59.01395	2.0
65.67329	1.1
70.83622	1.0
71.01383	2.7
78.26195	1.0
97.02963	2.5
101.02443	1.3
111.04529	1.2
130.38319	1.0
139.04004	8.1
255.23325	100.0
302.22418	1.2
353.27112	1.5
359.13501	2.0
367.28552	2.3
395.28073	2.2
499.36707	2.0
561.68500	1.4
615.37433	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64304	1.3
57.03440	1.5
64.28419	1.6
65.03957	11.1
71.05015	12.8
75.10541	1.6
88.84367	1.3
97.06580	31.6
110.66013	1.7
119.08626	2.5
121.06596	33.7
125.09711	25.5
129.95662	1.3
137.09731	1.6
141.12894	2.0
160.34618	1.5
185.11830	41.2
209.11790	18.0
211.13445	20.5
227.29390	1.4
235.13394	36.5
240.17537	1.5
289.18057	9.1
307.19189	100.0
439.03412	1.6
445.60315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33382	2.0
54.53160	2.1
54.68034	2.6
57.75505	2.7
59.01382	14.6
62.95020	2.7
69.54570	2.3
71.01385	10.2
75.83292	2.7
80.96513	6.5
85.02948	4.9
98.50816	3.0
101.02424	4.5
109.06580	31.7
137.09714	4.7
154.34839	2.4
164.98651	4.9
165.09282	2.6
169.12387	3.1
171.10335	4.5
197.11850	100.0
223.13464	5.5
225.00764	10.4
263.11462	6.1
279.78421	3.1
290.63437	2.6
291.19601	10.5
307.19202	49.4
309.20639	19.5
338.44083	2.8
615.31183	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51772	1.7
52.83766	1.7
55.28102	1.6
55.77605	1.5
59.01384	3.9
61.98819	2.0
84.76487	1.8
96.83765	1.7
106.04250	2.0
109.06620	2.2
123.08154	14.4
135.08192	19.7
135.18825	2.1
159.61024	2.4
171.10262	11.4
183.10275	2.2
185.11838	3.5
191.14409	2.2
245.19154	23.5
249.14906	24.7
261.18491	2.4
289.18152	100.0
307.19168	38.8
309.20584	2.4
383.91205	2.4
440.33414	2.0
452.76395	2.0
615.28918	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99112	2.0
59.01369	2.8
60.47224	2.4
70.67475	2.3
71.01321	2.3
78.95923	2.1
79.83272	2.0
87.64407	2.1
97.06589	4.4
102.35490	2.5
120.45022	2.4
120.52332	2.3
125.09649	3.4
135.08150	21.6
143.36870	2.5
152.99579	10.7
183.10257	9.7
185.11877	3.4
187.32664	2.3
195.13934	5.6
198.26854	2.3
211.13326	3.6
221.15500	2.9
223.17010	15.4
233.15459	4.8
249.14926	13.6
251.16595	33.6
291.19650	16.7
298.24826	4.5
299.25043	9.7
305.17526	25.8
309.20761	100.0
417.25171	2.8
615.30365	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.5
68.03819	0.8
71.01377	15.8
73.02927	5.7
74.98311	0.8
75.36762	0.9
83.39202	1.0
85.02959	1.4
89.02436	26.0
90.96197	0.8
92.64420	0.8
95.26167	0.8
97.02946	3.6
99.00866	13.4
101.02438	5.3
105.32616	0.9
113.02425	0.9
115.03990	1.1
125.02425	6.5
130.06601	4.5
133.01427	1.3
140.73174	0.9
144.04536	1.7
144.08189	1.0
146.06126	23.2
156.08162	3.5
158.06146	1.7
160.07787	1.2
170.06145	1.3
172.07729	0.9
174.09267	8.3
186.05386	1.0
186.09312	1.6
188.07173	14.0
190.05121	4.9
191.05653	1.3
192.06680	4.7
200.07132	7.5
206.08231	3.7
210.09259	2.2
212.07072	1.3
218.08224	1.6
228.10374	2.1
254.08228	4.3
264.12244	0.9
308.11469	1.5
356.15131	12.4
440.15591	2.0
518.20490	1.6
572.19989	14.1
616.18921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29974	0.7
52.13200	0.6
59.01384	18.2
61.09259	0.7
70.98784	0.7
71.01368	15.9
73.02951	6.2
76.65961	0.8
83.01416	1.0
85.02934	3.3
87.46059	0.7
89.02437	23.8
97.02940	3.6
99.00874	12.5
100.04040	3.0
101.02416	4.4
113.02447	1.5
123.46992	0.8
125.02443	7.1
130.06596	5.2
131.03426	1.3
142.05072	3.7
144.04533	2.9
146.06116	24.2
156.08191	3.1
158.06070	1.8
160.07703	1.4
170.06003	1.1
172.07623	1.3
173.04410	0.8
174.09224	6.7
186.09254	1.3
188.07201	10.6
190.05154	3.5
191.05635	1.6
192.06621	0.9
200.07208	7.7
202.08815	1.0
206.08217	4.2
210.09155	1.4
218.08267	3.1
228.10358	1.7
230.08237	1.7
254.08206	4.4
272.09293	1.1
356.15106	3.0
364.28342	0.8
440.15643	3.4
542.88214	0.8
572.20020	11.9
616.18872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85496	0.9
57.47105	0.8
59.01382	19.8
68.56438	0.8
69.03461	1.0
71.01070	0.9
71.01383	16.0
73.02936	5.2
76.35940	0.9
80.53807	1.0
85.02929	3.9
89.02429	26.2
97.02930	3.6
99.00864	16.5
101.02433	6.3
113.02413	3.8
125.02452	8.2
130.06612	5.3
131.03429	1.4
133.01476	1.0
142.06622	1.5
144.04489	3.9
146.06120	25.9
156.08194	3.5
158.06068	3.6
160.07597	1.0
170.06165	1.4
174.09224	7.2
186.05579	1.1
188.07170	12.9
190.05106	1.9
191.05595	2.3
200.07191	10.4
206.08215	1.3
210.09207	1.9
218.08171	3.9
228.10263	1.2
230.08206	1.3
254.08186	3.8
272.09158	1.0
274.00119	1.0
321.27472	1.1
440.15637	4.5
572.19965	13.9
589.09656	1.0
616.18890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
62.40596	0.8
69.03479	1.1
71.01374	17.7
73.02935	5.7
78.32036	0.9
79.48787	0.9
85.02956	1.9
89.02438	24.3
97.02947	1.5
99.00864	12.6
100.54257	1.0
101.02428	4.0
104.55770	0.9
113.02461	1.4
116.12449	0.9
119.69787	0.9
120.94305	1.0
125.02413	5.4
129.22343	0.8
130.06639	2.2
131.03468	1.3
139.60509	0.9
140.99213	1.0
142.06741	1.1
144.04552	4.5
146.06119	21.5
156.08134	1.3
158.06065	1.6
160.07613	2.1
170.06128	1.7
172.07680	1.7
174.09276	7.8
186.09267	1.3
188.07172	12.5
190.05078	4.4
200.07170	7.3
206.08147	1.5
210.09256	1.3
218.08238	5.3
228.10265	1.9
230.08167	2.0
254.08237	4.8
257.53491	0.9
430.47675	1.2
440.15756	1.6
572.19818	14.6
616.18927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
59.01381	19.7
69.03468	1.1
71.01376	19.8
73.02947	7.4
83.01353	1.1
85.02941	3.4
89.02435	27.0
91.34836	0.8
92.23055	0.9
94.61421	0.8
97.02930	1.5
99.00874	16.7
100.56393	0.8
101.02416	7.4
113.02393	1.8
125.02446	7.2
130.06609	7.1
131.03499	1.3
137.66920	0.8
139.89352	0.7
144.04561	4.3
146.06117	29.8
156.08209	4.4
158.06082	4.3
160.07628	3.3
164.07150	1.2
170.06079	1.5
172.07698	1.4
174.09225	10.0
182.06175	1.3
186.05637	1.1
186.09245	1.9
188.07170	15.5
190.05089	4.9
191.05632	3.3
200.07173	10.8
206.08247	2.1
210.09250	1.3
218.08289	6.4
228.10236	2.0
230.08186	1.5
254.08206	4.2
308.11459	1.6
440.15643	2.1
484.88098	0.9
572.19934	14.7
616.18890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44827	0.5
52.72415	0.5
52.83912	0.5
54.61285	0.5
56.59124	0.5
61.98834	100.0
66.66300	0.7
78.75584	0.6
92.49671	0.6
112.64814	0.7
181.37932	0.6
203.60042	0.5
265.51950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87308	0.6
59.01382	38.1
61.02989	0.7
61.98822	0.7
65.55773	0.7
66.15124	0.7
71.01380	23.0
73.02961	0.7
74.76779	0.7
74.93355	0.7
83.01409	1.4
85.02941	3.3
89.02444	28.7
92.23118	0.9
96.99339	0.8
101.02448	17.3
106.05781	0.8
107.94614	0.8
112.04015	1.4
113.02441	11.3
114.01952	3.5
115.64156	0.8
119.03497	10.4
120.62959	0.9
129.01932	5.1
136.07721	0.9
151.11282	36.1
179.05637	3.6
204.81786	0.8
208.09697	1.3
225.34079	0.7
486.27267	1.6
584.27289	11.9
616.29865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61673	4.4
58.27756	5.0
59.01379	53.8
64.03159	4.8
77.68794	4.6
83.04819	5.0
100.17200	5.4
159.01501	75.9
174.99303	27.9
188.49446	6.1
201.02444	21.1
212.12282	5.9
217.00317	100.0
247.28607	5.4
301.02805	11.9
317.00443	46.7
374.99326	13.0
474.99014	21.4
556.98297	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30810	0.6
96.96001	100.0
108.36380	0.6
181.00673	0.5
293.11765	0.6
423.08051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26192	0.3
56.90556	0.3
58.90210	0.4
59.48349	0.4
59.78571	0.3
60.31034	0.3
60.45009	0.3
63.26502	0.4
66.44508	0.3
70.03468	0.4
79.95713	0.5
96.96001	100.0
123.12432	0.4
138.30339	0.5
150.03212	0.7
165.05527	0.7
168.82770	0.4
178.02635	0.5
193.05113	0.6
238.17169	0.4
286.40347	0.5
302.46368	0.5
488.00620	0.4
496.19174	0.4
497.01984	0.5
549.46313	0.5
617.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84558	1.5
71.51840	1.5
71.94565	1.7
87.79330	1.6
111.73066	1.6
123.36065	1.6
126.82540	1.7
139.73416	1.6
149.02464	2.8
150.03227	16.2
152.27528	1.9
165.05559	38.7
175.04002	3.8
180.04214	2.8
190.06467	6.3
195.06622	7.6
205.05109	1.9
222.05338	2.9
320.06653	2.0
321.07602	11.7
323.09372	2.1
325.07321	2.8
336.09943	2.5
337.07224	3.4
339.08771	8.2
340.09570	7.8
354.11514	2.4
355.11890	11.0
367.11835	20.6
385.12772	1.9
503.16824	3.5
523.77692	1.8
533.18256	9.6
551.19788	2.0
570.44336	2.0
581.20349	100.0
617.26947	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27274	0.1
55.01878	0.2
55.79148	0.2
56.20172	0.2
68.40403	0.2
69.03459	0.3
85.02937	2.0
113.02447	100.0
119.05021	2.3
145.02963	1.3
161.06085	0.3
163.04010	12.8
189.05623	0.3
191.05602	0.3
205.05051	1.9
247.06194	0.3
249.40807	0.2
261.07730	1.1
303.08725	2.7
345.09921	0.2
401.12509	0.9
405.11975	12.1
416.19495	0.2
443.13336	1.3
449.08905	0.2
503.15646	8.4
519.15076	0.4
637.07104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.71029	0.6
59.01372	1.4
67.01895	3.1
71.04249	0.6
81.38758	0.6
81.46101	0.6
85.02924	0.7
87.00861	25.5
88.85144	0.5
111.00871	100.0
114.34763	0.8
136.42081	0.7
137.57520	0.7
173.00911	7.0
248.48892	0.8
341.51480	0.7
545.99121	0.7
548.63568	0.8
551.78094	0.8
555.19299	1.2
617.18951	13.3
617.32825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58413	0.9
55.53659	0.7
56.45036	0.8
59.01363	4.8
71.01373	2.0
73.02920	1.0
74.35379	1.2
75.55634	0.9
75.59563	0.9
81.03424	1.0
85.02946	1.0
89.02431	1.7
99.04508	1.1
101.02405	1.8
113.02392	1.9
113.06981	0.9
116.61979	0.9
116.92853	1.0
131.12477	0.9
133.02968	8.0
134.02850	1.1
134.03734	13.4
135.04523	64.3
137.02443	1.8
149.06049	0.9
150.03206	1.3
154.03464	1.0
160.01619	10.2
161.02438	90.7
165.01920	1.4
165.05598	1.3
171.10258	1.4
175.03998	27.8
178.02702	3.8
179.03488	48.4
180.04280	2.0
193.05077	9.0
195.06604	6.0
209.80302	1.1
225.07722	1.5
240.33562	1.0
263.09143	1.7
290.45734	1.0
398.96164	1.0
436.54904	1.0
441.13998	22.3
603.98883	1.1
617.18732	100.0
617.26044	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02458	0.5
58.91865	0.5
59.01363	1.0
71.01337	0.8
96.37055	0.6
96.53696	0.6
99.31873	0.6
117.03454	0.9
133.02982	5.7
134.03740	12.6
135.04527	58.2
137.02422	0.9
149.06123	1.1
160.01675	7.6
161.02444	83.0
175.03995	28.6
178.02695	0.8
179.03508	42.4
193.05002	8.9
218.60327	0.7
229.91631	0.7
263.09253	2.8
397.36505	0.6
400.72556	0.7
423.12997	1.1
441.08469	0.9
441.14148	23.3
617.18829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84404	1.2
59.01366	9.4
62.88561	1.2
71.01357	6.3
72.99288	6.6
73.02915	2.1
76.74730	1.3
87.00843	1.9
89.02422	7.5
93.03389	1.5
101.02427	8.1
104.11773	1.5
109.02928	1.4
113.02402	2.4
119.03501	1.5
121.36655	1.5
122.25274	1.5
123.00858	1.8
137.02397	6.0
138.03185	6.2
145.08682	3.0
150.03232	2.4
151.03978	3.2
153.05553	8.2
161.04561	2.2
179.05559	2.4
181.05063	42.3
182.05847	100.0
188.08728	1.6
196.07413	16.1
197.06354	1.7
197.08194	50.5
201.05531	6.9
202.06334	1.7
203.07108	3.1
216.07996	4.8
218.09375	5.7
227.07053	2.1
229.05087	2.7
236.42104	1.5
243.06610	11.4
245.08186	2.5
251.09097	2.2
251.16515	2.5
253.05164	1.6
255.06561	7.7
257.08182	3.5
258.08987	2.8
259.09756	2.7
260.10611	2.3
263.07675	7.3
268.07449	2.0
270.09015	1.7
273.07568	7.6
273.11053	1.7
301.10690	2.4
303.12314	2.5
317.10205	2.4
321.73523	1.7
327.08676	3.6
329.10172	2.3
331.11737	1.7
347.11383	2.8
375.10666	8.7
399.16248	3.2
545.20221	19.6
589.18793	2.6
617.18591	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90902	1.2
55.69319	1.7
59.01383	6.3
71.01379	3.6
87.00876	1.5
89.02444	3.3
97.48999	1.7
101.02457	3.2
113.02453	2.1
137.02415	3.1
151.04019	5.6
153.05608	2.9
167.32974	1.7
178.06425	2.4
181.05074	21.7
182.05853	100.0
183.06683	2.0
189.05658	2.4
191.05557	2.9
196.07428	3.6
197.08228	67.1
205.05072	6.4
207.06610	2.7
217.05038	11.4
218.56747	1.9
219.06601	2.0
229.05157	1.7
232.07401	12.5
243.06644	8.8
244.07256	1.6
245.08197	1.9
247.09727	11.6
251.09241	3.4
258.08975	2.6
270.08667	1.8
271.06183	9.7
285.11487	2.6
286.08496	1.8
287.05670	2.1
288.10254	2.0
301.10837	7.1
303.12183	1.8
317.10464	2.1
327.12292	2.3
333.26825	2.0
347.11407	6.9
357.13547	7.9
371.00641	1.8
396.72653	1.6
519.18604	8.4
551.83173	2.0
573.19733	10.8
617.18640	62.4
617.28809	2.3
617.40027	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47391	0.6
59.01382	1.5
63.53823	0.7
69.15067	0.6
85.02934	1.5
113.02443	100.0
119.05022	4.3
121.69635	0.7
143.69627	0.7
145.02934	1.3
147.77928	0.7
161.06084	1.4
163.04031	18.4
205.05078	6.2
231.36168	0.8
401.12433	2.9
426.03510	0.8
443.13608	1.3
503.15714	17.5
617.31171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70056	0.5
59.01391	2.2
71.01377	2.6
85.02939	3.5
89.02453	1.0
90.17340	0.6
93.03472	1.2
93.52400	0.6
101.02436	1.3
110.55451	0.8
113.02442	0.7
119.05006	3.4
134.03732	7.5
148.05254	0.9
149.06073	1.4
160.01648	3.2
160.36696	0.7
161.02428	6.3
163.03996	3.5
175.03990	20.1
177.05544	1.3
178.02776	0.8
191.05627	100.0
191.07141	9.2
193.05072	17.9
193.52727	0.6
205.05074	1.4
207.06595	5.0
226.06361	3.6
235.06133	18.5
241.08693	6.0
252.07761	1.1
254.09549	1.0
269.11905	0.8
289.90472	0.8
295.08206	2.7
396.10703	0.7
396.81436	0.9
415.90430	0.8
455.15640	18.2
513.27197	1.0
573.29517	1.0
616.01331	0.8
617.20319	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43067	0.7
72.99303	45.2
96.96016	7.2
96.96964	3.2
98.55894	0.8
112.11616	0.9
123.04522	20.4
123.15794	0.8
130.41101	0.8
133.01389	1.1
135.04535	26.6
164.26653	0.7
179.03506	42.4
197.04572	100.0
202.65291	0.8
214.86949	0.8
237.07790	1.0
262.75140	0.7
330.08389	1.0
429.13751	0.9
471.47400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95174	1.6
59.01390	2.1
62.96516	1.3
68.89115	1.5
71.01376	2.3
151.03911	1.9
180.04254	1.7
181.05083	8.2
182.05850	11.4
190.02753	2.1
195.06598	1.5
196.07495	3.9
197.08249	12.1
205.05064	6.5
208.07391	2.9
223.09756	2.5
251.09242	10.7
270.05194	2.3
271.06171	3.5
272.03348	2.1
285.07709	9.5
286.05502	2.4
286.08447	17.6
286.24112	1.7
287.05676	46.6
301.07175	44.6
302.07965	52.4
316.09515	21.7
317.06827	3.1
317.10349	63.4
317.13998	2.6
347.11404	100.0
532.44183	1.9
537.20544	2.0
617.27979	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14989	4.0
59.01388	70.3
69.89515	4.6
92.22482	6.1
96.95953	5.5
101.02430	5.0
121.46722	5.0
123.35388	5.0
181.05052	60.1
196.07419	100.0
211.09766	36.6
214.90149	5.3
243.06639	7.2
251.19962	6.0
271.09769	5.4
281.04620	6.9
325.29868	5.4
343.11771	5.8
375.10956	6.1
405.12000	29.3
427.13846	5.9
508.74237	6.1
587.21417	33.7
617.21381	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40623	1.5
57.52554	1.4
59.01382	100.0
71.01380	44.1
72.01180	1.5
72.84681	1.7
72.99323	1.7
73.02935	1.8
84.11053	1.9
85.02968	8.7
89.02440	68.7
90.51614	1.5
95.01367	3.0
97.02936	2.5
99.00809	2.1
101.02441	32.8
102.75319	1.6
103.74408	2.2
108.02098	1.9
113.02408	15.2
115.04025	33.5
116.92854	1.6
119.03495	29.1
123.04515	6.6
131.03485	2.8
136.01668	20.3
143.03491	7.2
151.04002	69.5
161.04573	13.9
165.01939	4.2
165.05540	2.5
171.10254	2.2
176.04781	2.1
179.05620	44.0
179.07082	3.0
180.04247	4.0
183.09100	1.8
184.67378	1.8
188.04745	3.4
191.96169	1.6
195.06676	7.7
203.07147	8.3
279.06705	6.4
284.56372	2.0
294.09091	3.6
309.11353	3.8
338.17645	1.8
339.12387	21.3
342.11102	6.6
357.13464	58.3
438.51932	1.7
501.17816	34.0
569.23889	3.1
579.26959	2.8
617.24890	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42484	1.4
53.86263	1.2
59.01380	6.6
59.14315	1.3
61.60552	1.4
61.98841	1.2
63.19691	1.4
67.08595	1.7
67.18194	1.3
71.01394	3.0
77.45660	1.4
85.02964	2.5
88.98753	1.4
89.02438	3.0
101.02448	3.5
108.02163	1.9
113.02480	2.5
116.92867	2.1
118.99835	1.8
121.03043	1.9
125.02455	2.3
174.03239	26.0
175.04022	3.4
177.01918	39.0
188.04874	3.1
189.05707	5.6
191.03603	2.2
202.02788	8.2
205.05225	3.0
206.02176	1.5
206.05733	1.9
215.03523	6.5
217.05087	13.8
229.05092	7.3
265.05176	7.2
265.08710	2.5
267.06802	7.3
277.05072	2.8
279.06680	9.2
279.10367	12.2
280.07507	2.4
282.09113	6.6
292.07480	2.0
293.04596	11.1
293.08112	3.2
294.08911	23.3
297.11392	1.8
304.07568	2.9
305.04608	9.2
305.23093	1.6
308.06946	38.8
309.07806	7.3
320.06952	12.0
323.05774	3.1
323.09274	55.9
335.09320	6.6
338.07947	7.0
341.10309	2.4
353.10379	33.4
426.98080	1.9
557.16962	6.9
569.17303	7.8
584.18774	3.0
587.21362	76.6
596.71790	1.9
599.21423	61.2
617.22534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97917	1.1
57.94991	1.1
59.01376	2.6
77.39489	1.3
113.02347	1.4
123.04494	3.0
148.05252	1.5
161.08698	1.3
174.03221	13.7
188.04729	2.6
202.02692	8.1
215.03459	5.5
217.05070	6.5
229.05113	1.7
242.33923	1.4
262.06366	2.7
263.07162	1.7
265.08743	2.1
267.06516	2.6
277.08542	2.2
279.06570	9.5
279.10233	8.0
282.08936	4.4
288.04398	1.7
289.05118	2.8
292.07419	2.4
293.04568	7.2
293.07767	1.5
294.09042	25.7
303.06522	1.9
304.07288	5.8
305.04559	11.6
308.06854	17.1
309.07791	5.7
320.06866	21.7
322.08572	2.4
323.05777	4.3
323.09189	23.3
326.08090	1.8
333.98203	1.5
335.09280	8.4
338.07962	10.4
339.08679	1.7
339.12445	1.5
341.10074	2.9
353.10370	26.8
378.01035	1.4
408.60870	1.3
409.07263	1.4
449.01227	1.4
541.17267	6.0
553.17493	1.9
557.16663	2.6
569.16608	17.7
584.18701	6.7
587.21381	28.2
599.21429	100.0
617.22412	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84179	2.2
57.23623	2.3
59.01387	2.6
63.25266	2.4
71.01395	3.0
73.02914	3.8
84.64399	2.5
87.17809	2.5
93.24804	2.7
116.92886	3.8
120.71175	2.4
150.03239	4.2
162.61249	2.4
165.05490	3.8
174.03232	18.5
193.05133	3.8
195.06744	4.1
202.02707	15.5
206.05743	3.0
217.05022	10.8
265.05225	3.1
267.06686	4.4
271.10922	3.1
277.05008	3.3
279.06696	3.3
279.10318	4.3
280.07520	3.3
281.08029	2.8
282.08759	6.1
289.12051	3.6
293.04596	16.5
294.08972	25.3
298.06049	2.7
298.46191	3.3
305.04568	5.2
308.06995	35.7
309.07623	3.4
320.07019	8.6
323.05737	4.4
323.09305	48.4
335.08987	3.1
338.08005	5.6
347.22876	2.5
353.10419	32.5
491.51428	3.1
519.73615	2.7
552.95007	2.6
569.16333	4.3
587.21472	79.2
599.21301	53.7
617.22516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30327	0.6
56.39012	0.7
60.72606	0.7
71.01373	0.8
73.12595	0.6
96.96001	71.7
109.56801	0.9
135.04448	0.8
137.02458	4.2
137.95155	1.0
138.03223	0.9
141.60889	0.9
151.03992	4.0
153.05573	1.6
164.04791	1.1
166.06317	1.7
175.04028	5.9
181.05070	20.5
182.05852	26.9
183.06633	58.8
189.05576	27.7
191.03508	0.8
192.04468	0.8
193.04890	0.8
194.05884	9.6
201.05482	0.9
207.06587	1.8
208.07367	6.8
209.08188	31.8
219.06668	14.2
225.07724	3.6
234.22668	0.9
237.07692	100.0
241.62190	0.8
267.17664	0.8
300.10132	0.8
301.07312	1.1
315.08755	10.4
316.09659	1.0
330.11053	3.5
361.12921	1.7
459.94360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14989	4.0
59.01388	70.3
69.89515	4.6
92.22482	6.1
96.95953	5.5
101.02430	5.0
121.46722	5.0
123.35388	5.0
181.05052	60.1
196.07419	100.0
211.09766	36.6
214.90149	5.3
243.06639	7.2
251.19962	6.0
271.09769	5.4
281.04620	6.9
325.29868	5.4
343.11771	5.8
375.10956	6.1
405.12000	29.3
427.13846	5.9
508.74237	6.1
587.21417	33.7
617.21381	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23532	0.2
54.80164	0.3
55.58479	0.2
59.01374	0.5
71.01378	0.5
85.02943	3.1
87.00895	0.5
89.02394	0.4
93.03455	0.7
103.83257	0.3
113.03554	0.5
127.04000	0.8
131.04623	2.0
134.89027	0.3
167.68913	0.3
173.04555	0.6
176.56152	0.3
179.03529	0.4
184.67813	0.3
191.05624	100.0
201.95209	0.3
221.04788	0.4
287.07993	0.4
288.93353	0.4
502.88947	0.4
557.20679	0.4
579.90790	0.4
617.18567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23532	0.2
54.80164	0.3
55.58479	0.2
59.01374	0.5
71.01378	0.5
85.02943	3.1
87.00895	0.5
89.02394	0.4
93.03455	0.7
103.83257	0.3
113.03554	0.5
127.04000	0.8
131.04623	2.0
134.89027	0.3
167.68913	0.3
173.04555	0.6
176.56152	0.3
179.03529	0.4
184.67813	0.3
191.05624	100.0
201.95209	0.3
221.04788	0.4
287.07993	0.4
288.93353	0.4
502.88947	0.4
557.20679	0.4
579.90790	0.4
617.18567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79749	0.2
79.95735	1.6
89.15827	0.3
96.96007	100.0
98.95591	0.6
110.09161	0.3
110.90002	0.2
237.87804	0.3
245.36751	0.3
296.26474	0.3
592.92657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
59.64194	2.1
59.78568	1.6
68.13611	1.4
69.24372	1.6
92.72517	2.3
100.36064	1.8
120.64265	1.7
125.06947	1.8
125.98190	1.8
137.02443	9.9
138.03238	2.5
138.18671	1.7
150.03152	2.8
151.04070	2.5
152.04750	2.6
163.04042	3.5
164.04810	10.2
165.01913	52.8
165.05562	16.2
171.10287	2.8
177.01935	2.9
179.03500	15.6
179.07129	12.9
180.04285	86.2
181.05061	11.2
194.05739	6.0
195.02995	2.5
195.06631	100.0
210.05348	18.9
225.07661	37.3
240.26781	2.1
331.11975	3.8
345.13434	3.6
361.12979	18.0
376.15283	20.2
377.16241	2.3
391.17694	44.4
394.21555	2.2
445.19766	4.1
569.23987	45.5
581.23706	2.5
599.24878	11.6
617.16589	3.5
617.26062	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01007	1.5
59.01378	8.1
71.01376	2.0
73.11028	1.7
92.23067	2.3
101.02437	1.9
109.03052	1.8
113.02434	2.0
116.92828	4.2
121.02955	2.7
122.03720	3.5
125.02427	2.6
133.02910	3.7
134.03714	14.7
135.04607	5.6
136.01677	10.3
137.02457	8.4
138.03236	3.3
139.03986	9.5
149.02489	12.2
149.06081	8.0
150.03224	72.8
151.04013	46.6
152.04779	6.8
161.02458	21.5
161.06021	2.0
162.03206	2.6
164.04785	12.1
165.01855	3.3
165.05577	100.0
175.03987	3.5
177.05518	2.3
179.03500	7.4
179.07147	2.4
180.04272	15.1
181.05019	9.1
193.05042	3.2
194.05885	4.3
195.06656	62.4
205.05045	7.5
208.19205	1.7
209.08105	6.5
219.06659	1.8
357.13507	30.6
361.12872	8.5
371.11349	2.7
375.14581	9.3
391.13950	15.3
406.16302	15.9
407.16638	3.6
421.18732	49.8
441.14240	2.2
452.13358	1.9
557.27875	3.1
569.23993	43.8
571.75500	2.0
599.24854	18.6
617.18347	17.4
617.26904	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86065	1.0
59.01355	8.8
62.23582	1.3
66.42044	1.1
78.95901	27.2
89.91545	1.4
96.96851	5.6
99.30655	1.2
101.02423	2.1
139.30411	1.4
149.05981	1.6
152.99593	57.3
160.05205	2.6
162.60635	1.3
202.09862	8.3
212.59592	1.3
215.41823	1.6
223.00015	7.1
241.01218	24.3
256.14554	2.6
257.22491	2.9
271.16855	6.3
301.21725	10.2
311.22113	1.8
315.04550	5.6
326.22333	2.2
387.84146	1.4
410.28314	24.0
411.29135	19.9
531.27588	2.2
568.03473	1.6
616.16125	1.4
617.26678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94323	1.8
59.01376	9.6
59.15426	1.7
61.98826	2.9
70.79667	1.9
71.01370	2.6
78.95897	33.4
96.96952	8.0
152.99567	47.7
168.17491	2.4
171.10269	3.2
187.41884	2.1
210.53365	2.3
216.05002	2.6
241.01187	27.1
247.27539	2.3
257.22949	2.3
301.21783	4.4
397.28101	2.6
410.28198	3.4
411.28928	11.9
445.88132	2.3
521.77222	2.5
617.27057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
59.01381	83.4
71.01379	79.3
72.99298	11.6
73.02937	6.1
75.57435	2.6
83.01352	4.9
85.02953	23.6
85.43496	2.7
87.00875	13.3
89.02438	88.3
96.96007	3.1
99.00850	4.8
101.02439	74.3
111.68151	2.7
113.02454	49.7
119.03482	39.7
125.09666	3.9
129.01906	2.9
131.03484	18.2
137.09717	5.0
143.03445	6.6
161.04559	52.8
179.05632	80.7
179.07111	2.9
181.05090	4.4
182.05840	18.8
184.05043	3.3
197.08238	11.6
205.05063	12.6
207.10173	4.0
221.06699	49.6
225.11343	19.9
243.12396	6.1
247.47708	3.2
263.07764	100.0
285.86783	3.1
314.35666	3.2
323.09836	13.2
325.21371	3.0
341.10742	10.5
357.09717	13.4
357.13623	4.7
436.85245	3.7
557.26288	4.5
617.19452	14.9
617.31934	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3184
Annotation	Guangomide A
Peak:m/z	Relative Intensity
56.41781	1.0
59.01377	20.1
71.01370	16.0
73.02942	5.4
85.02956	3.0
87.00889	2.0
89.02431	16.8
97.02942	1.7
99.00901	1.5
101.02451	17.9
113.02423	9.6
119.03500	7.3
123.08171	1.3
131.03505	4.6
160.38708	1.4
161.04541	8.4
205.00172	1.1
221.06613	7.0
275.20132	2.7
284.17001	1.5
293.21292	22.1
303.59250	1.4
347.81729	1.3
426.82455	1.3
484.01019	1.5
519.31586	1.2
617.31891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71478	0.4
51.75959	0.3
59.01394	0.5
63.90260	0.4
70.63448	0.5
74.34279	0.6
80.60426	0.4
97.06581	2.6
102.67104	0.5
105.20957	0.5
107.31599	0.4
123.08240	0.5
125.09715	50.9
128.03429	0.6
141.40056	0.5
167.68254	0.5
169.08701	2.3
182.05882	0.7
183.06575	2.0
187.09769	100.0
188.10123	2.7
189.05551	0.6
209.08148	0.5
219.06606	0.8
229.70172	0.5
237.07716	3.1
367.19357	0.6
584.24384	0.5
605.48676	0.6
617.29218	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
62.55402	1.2
64.67064	1.4
71.01374	2.6
72.99319	2.2
75.92403	1.4
82.22402	1.3
82.57856	1.8
89.02440	7.4
108.14801	1.5
113.02440	1.8
134.80148	1.4
152.99730	1.5
204.11673	1.8
213.16405	1.8
217.12331	3.6
228.11583	9.9
241.12411	2.8
253.16093	3.3
254.13145	2.0
256.14719	11.6
270.16391	13.8
271.17087	20.8
283.17032	3.7
316.88477	2.0
325.21786	3.1
326.22684	6.7
340.20331	2.8
342.21893	2.9
355.22845	8.8
367.22815	3.4
393.28159	16.9
395.29974	1.7
410.28345	61.0
411.29102	100.0
617.33362	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44988	1.9
58.07691	1.7
59.01390	3.9
71.99727	1.9
78.95905	2.7
95.51955	1.9
126.40003	2.5
126.80761	2.0
134.43991	2.1
192.49937	2.5
227.10704	4.7
228.11534	2.5
241.12354	10.2
242.13104	8.6
254.13039	3.5
256.14749	4.1
257.15503	3.8
269.15469	9.1
270.16223	12.5
287.16403	5.0
312.21005	8.2
324.20892	17.4
325.21805	10.7
326.22601	9.6
338.22675	3.1
339.23486	2.6
342.21985	21.7
351.23465	4.5
381.27963	23.6
393.28134	12.0
410.28287	54.0
411.29068	100.0
468.07013	2.3
543.74274	2.5
573.34167	12.7
617.33575	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62170	1.2
59.01388	2.3
59.75674	1.3
59.94843	1.3
71.01381	1.7
72.92332	1.6
77.90411	1.3
78.95903	8.5
89.02419	1.5
98.97898	1.4
134.99162	1.6
135.04535	1.7
149.06073	10.7
151.49548	1.4
152.99632	2.7
159.04536	2.4
160.05286	7.1
173.06093	2.3
174.06847	1.7
186.06976	2.2
201.09238	2.1
202.10039	19.0
203.10796	3.0
211.79697	1.7
220.75072	1.5
256.14713	10.3
258.16318	11.6
271.17050	12.1
272.14212	3.1
272.17896	5.4
274.15701	3.5
284.17856	6.9
284.49698	1.7
287.16577	1.6
288.17105	1.5
289.18103	1.8
300.17535	2.1
326.22601	16.4
342.21991	12.4
368.14529	2.0
393.28162	5.7
410.28421	9.7
411.29086	100.0
455.27832	1.6
573.34186	2.9
617.33429	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15340	2.6
53.23983	2.8
53.78028	2.4
57.06511	2.9
57.73792	3.1
59.01373	7.6
61.98820	7.3
71.01381	5.4
99.01516	4.0
102.75629	4.3
166.60272	3.7
170.49117	4.5
228.11621	13.4
253.15930	3.5
256.14706	14.7
270.16364	5.3
271.17096	26.7
283.16983	6.5
284.17902	5.1
318.83490	4.4
325.21646	6.6
326.22449	7.5
355.22803	14.4
367.22821	4.3
393.28140	16.9
394.23071	4.0
410.28375	55.8
411.29095	100.0
411.33966	6.1
535.19879	4.3
562.84796	4.0
617.33630	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30843	2.8
59.01378	8.7
61.98831	3.0
71.01369	5.7
71.81418	3.1
77.00686	3.1
78.95901	6.9
87.06941	3.6
102.09482	3.3
105.51677	3.7
123.95401	3.8
149.06067	7.3
152.99582	6.3
160.05266	7.1
174.06819	4.4
188.08412	5.7
202.09950	24.8
214.10033	3.5
215.85106	3.5
256.14749	14.0
271.17136	24.7
283.16971	4.1
287.16574	7.2
293.21304	3.8
311.22464	4.2
325.21591	4.4
326.22653	5.9
334.88510	3.1
341.21194	6.1
393.27924	5.7
410.28275	87.3
411.24036	4.3
411.29099	88.8
531.27930	5.5
617.33472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69018	1.0
66.42803	1.0
78.95908	1.1
95.96793	1.0
97.47425	1.0
105.06014	1.0
161.02417	8.8
196.24942	1.1
281.24799	2.5
286.32007	1.2
507.30847	1.1
617.38538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3856
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.41119	0.4
61.38002	0.5
61.38300	0.5
67.36101	0.4
76.67807	0.5
108.46819	0.5
133.02977	0.6
137.02492	0.7
152.99567	0.5
160.92621	0.5
161.02448	12.5
179.03404	1.1
179.68677	0.5
307.97745	0.5
585.21460	0.7
617.38538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3852
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.02305	0.3
59.01411	0.4
61.08353	0.3
63.32057	0.3
78.95895	2.1
87.82738	0.4
110.73938	0.4
111.79926	0.4
133.02979	0.8
134.03720	1.8
135.04527	0.6
137.02475	0.3
152.99576	1.7
161.02438	15.9
175.03859	0.5
178.02748	0.8
179.03497	1.8
201.14861	0.5
225.11197	0.5
230.25037	0.3
247.20004	0.3
255.23305	1.8
279.23328	1.5
617.38611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3856
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.95407	0.1
60.99522	0.1
75.08341	0.1
78.75073	0.2
82.43709	0.1
84.29485	0.1
92.75520	0.1
113.09498	0.2
133.02934	1.0
134.03731	0.9
135.04544	1.1
137.02402	0.3
145.02861	0.2
151.03957	0.2
157.19446	0.2
161.02448	14.0
177.49309	0.2
178.02716	0.7
179.03548	1.6
204.95650	0.2
587.37750	0.2
617.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52039	0.5
125.09708	0.7
137.09709	0.8
141.12930	1.1
141.87036	0.6
155.10762	22.5
171.10251	1.4
175.15285	0.6
185.11784	0.8
195.10048	1.1
195.13499	0.8
209.11798	1.1
211.13658	0.9
240.02629	0.6
279.23267	21.0
297.24374	100.0
298.97293	0.8
305.17737	0.8
317.21033	12.7
319.22556	4.8
323.18777	3.2
617.47998	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
73.15999	0.4
94.19064	0.4
111.77815	0.4
210.41721	0.5
251.11301	0.4
317.97760	0.5
345.21173	0.4
417.24780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57633	0.3
67.78635	0.3
67.84950	0.3
70.07362	0.3
73.02938	2.5
76.09203	0.3
94.37635	0.3
96.95992	0.3
99.00850	0.5
99.92556	3.5
115.09335	0.3
116.92849	100.0
117.01920	6.3
139.28185	0.3
175.23885	0.4
181.28394	0.3
190.24286	0.4
208.09850	0.3
308.05640	2.4
323.08200	1.6
338.10352	4.4
500.15555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40816	0.7
61.98816	2.8
78.01126	1.2
87.65634	0.7
89.59985	0.7
91.33970	0.7
110.00071	1.6
111.00893	0.9
118.44990	0.7
123.00906	1.0
124.01659	1.3
137.99577	5.1
145.06602	0.8
149.99597	4.4
152.01176	1.7
152.43335	0.7
157.06541	0.8
171.04494	1.8
173.06047	3.1
174.05823	0.7
180.00641	1.5
241.05023	1.5
243.06651	6.0
251.07144	1.0
254.05901	8.9
255.06644	13.8
276.06854	2.8
279.06702	0.9
280.07312	1.1
281.08237	1.5
297.07663	4.4
304.06189	6.8
305.06946	35.6
328.06226	1.6
365.29401	0.9
412.08142	1.0
525.38245	0.9
542.97815	0.8
543.30975	1.0
560.13416	2.6
618.17767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13287	0.6
56.16861	0.6
71.13126	0.8
72.52773	0.8
73.89480	0.7
82.02990	3.9
95.68421	0.7
98.02475	1.4
100.04044	3.6
107.06249	0.7
115.62576	0.9
119.05023	4.2
120.25639	0.7
135.03499	1.1
135.04526	32.3
155.03508	1.5
161.02470	3.7
173.04604	4.3
179.03505	66.8
191.05629	100.0
202.70296	0.8
220.09860	1.4
250.07484	0.8
264.08826	4.0
277.24545	0.7
324.91504	1.0
353.08823	79.6
354.27365	0.8
526.50824	1.1
618.18854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22083	0.4
53.09705	0.4
59.33524	0.4
71.01376	2.5
96.96959	0.5
107.05017	1.0
111.53632	0.4
114.93391	2.6
115.00365	4.3
123.04502	0.4
135.04536	18.3
162.03273	0.5
282.05426	1.8
297.07758	0.7
309.07684	1.6
312.12466	2.0
322.10855	2.9
340.11935	100.0
426.18402	0.4
502.17288	45.3
521.14203	0.4
631.93390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.9
70.02975	9.5
72.75035	1.4
90.84718	1.7
91.05537	3.1
93.03440	5.6
95.22893	1.3
106.68939	1.6
109.01691	6.1
116.47765	1.8
134.03737	19.4
147.04498	17.3
149.06049	3.3
149.55275	1.8
163.04063	3.2
164.07187	82.1
173.04535	3.9
185.08386	1.7
191.05655	27.3
193.05075	44.9
195.75958	1.7
206.08237	100.0
217.32384	1.6
240.91719	1.6
244.06160	2.7
250.07204	3.0
266.57712	2.0
280.08350	7.4
337.09317	2.1
367.10388	39.7
394.49930	2.0
407.96045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.9
70.02975	9.5
72.75035	1.4
90.84718	1.7
91.05537	3.1
93.03440	5.6
95.22893	1.3
106.68939	1.6
109.01691	6.1
116.47765	1.8
134.03737	19.4
147.04498	17.3
149.06049	3.3
149.55275	1.8
163.04063	3.2
164.07187	82.1
173.04535	3.9
185.08386	1.7
191.05655	27.3
193.05075	44.9
195.75958	1.7
206.08237	100.0
217.32384	1.6
240.91719	1.6
244.06160	2.7
250.07204	3.0
266.57712	2.0
280.08350	7.4
337.09317	2.1
367.10388	39.7
394.49930	2.0
407.96045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78896	2.2
69.34893	2.0
70.02965	16.5
82.02988	2.1
84.00900	3.0
89.12690	2.0
89.35905	2.1
112.04044	72.2
121.02915	4.2
134.03751	30.8
141.05392	2.3
147.04387	2.9
149.02443	5.6
149.06079	11.3
150.02104	3.9
150.03224	62.6
150.04349	4.9
160.01657	37.5
164.04768	4.1
165.05562	74.8
175.03989	79.7
176.04814	11.6
178.02722	5.0
180.04195	4.2
183.71263	2.3
191.07166	12.3
193.05054	31.3
195.06667	29.5
235.06194	9.3
282.09079	5.3
341.10275	15.9
365.83575	2.7
378.11978	100.0
517.27142	2.7
582.19312	5.4
618.21100	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50183	0.3
50.62404	0.4
54.39962	0.4
56.92659	0.4
59.71310	0.4
61.98831	100.0
132.24500	0.5
134.03761	2.5
135.02438	0.5
151.97208	0.4
161.25200	0.5
165.75993	0.5
167.01306	0.5
193.05113	3.2
306.34503	0.5
547.67664	0.5
549.40979	0.6
555.21393	1.8
577.94580	0.5
638.88629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35168	45.2
55.22517	58.2
59.01382	100.0
66.58917	58.1
77.14516	55.0
82.98708	59.5
85.21966	48.0
94.58525	52.4
101.78719	51.5
110.35909	53.7
186.50520	55.1
559.20367	63.3
582.21790	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76755	0.6
58.02981	5.3
59.01374	1.6
59.94347	0.5
70.02985	1.7
70.05608	0.6
74.02452	0.9
74.54930	0.9
89.02447	1.0
92.07701	0.6
101.02425	1.3
107.05021	7.7
113.02439	1.3
116.03541	1.0
119.05030	1.2
163.03960	7.0
173.04581	1.2
178.08757	11.2
180.06667	70.4
202.39403	0.6
205.83138	0.7
222.07729	100.0
222.11296	2.7
240.56276	0.7
271.21829	0.8
395.15536	12.4
618.22473	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	1.1
59.01386	20.3
70.62652	1.1
71.01384	22.6
81.16817	1.3
85.02945	2.3
88.04034	24.4
89.02444	14.8
101.02439	9.7
111.08146	1.8
112.12856	1.1
113.02409	6.4
115.00359	16.7
118.08762	1.1
118.82875	1.0
119.03480	5.0
123.08169	1.8
124.11803	1.2
130.08704	1.7
164.60291	1.2
167.10780	15.5
172.09709	4.6
226.10913	5.2
503.25171	1.4
591.96973	1.3
618.27814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4781
Annotation	Flavocristamide B
Peak:m/z	Relative Intensity
52.47906	0.5
54.21328	0.4
62.39578	0.4
63.04947	0.4
75.75909	0.5
76.02923	0.5
79.95734	0.7
80.96507	2.9
84.56017	0.5
93.98538	0.4
156.52936	0.5
171.21530	0.6
196.13202	0.6
333.21042	6.8
350.23743	71.0
392.24771	20.9
600.47449	1.1
618.47809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44532	0.7
52.91088	0.6
53.00899	0.8
56.72917	0.9
59.01402	0.9
72.99305	36.3
78.95908	2.0
92.23083	1.0
96.96005	92.8
96.96979	5.3
105.58471	0.8
106.59937	0.8
123.04477	6.3
135.04520	8.1
141.65190	0.8
151.04045	1.4
179.03493	43.7
197.04568	100.0
203.45213	1.0
259.02264	1.4
357.12943	0.8
458.76178	0.9
521.15167	92.9
619.11737	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
71.01391	1.0
72.99303	32.5
78.95898	39.6
96.95989	1.5
96.96952	44.4
99.04382	1.1
123.04511	6.2
135.04500	9.4
138.98012	1.1
162.91411	1.0
179.03490	36.6
197.04564	100.0
204.90402	1.0
239.16476	1.0
241.01157	1.9
259.02249	53.9
521.15173	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78939	0.9
72.99309	27.3
78.95904	28.3
88.26687	0.8
96.94051	0.9
96.96013	2.1
96.96957	27.7
101.39920	0.8
123.04525	6.1
135.04529	7.7
138.98018	1.1
170.43672	0.9
179.03499	35.9
197.04572	100.0
239.05659	1.0
241.01102	1.5
259.02267	49.5
289.11783	1.0
359.09723	3.1
440.68555	0.9
521.15179	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1679
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.28904	0.2
58.06171	0.2
63.71274	0.2
65.00387	0.2
76.90888	0.2
87.11978	0.2
92.22366	0.2
98.22875	0.3
159.56683	0.2
161.02469	0.6
268.03799	2.2
269.04590	100.0
311.05545	0.3
422.95752	0.3
496.40671	0.3
559.15350	0.3
619.16785	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27890	0.5
59.01381	5.2
71.01385	1.0
73.01612	0.6
73.02933	0.8
76.99897	0.6
79.95756	1.0
81.03455	4.0
81.28165	0.7
83.01379	0.6
83.05021	3.3
85.02921	0.5
87.00845	0.8
89.02457	0.7
93.03443	3.2
96.96002	100.0
101.02416	1.1
109.02939	1.0
111.04507	38.9
113.02441	1.3
119.05051	0.9
127.04006	69.6
137.02460	5.5
147.04530	0.7
152.81032	0.6
155.03497	46.5
165.05580	3.0
182.02220	1.0
185.02779	1.2
199.02496	52.9
306.61099	0.6
355.49890	0.8
619.17773	0.9
619.28510	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82490	0.5
72.13046	0.5
79.95734	0.7
96.96002	100.0
97.55283	0.4
191.15529	0.4
205.38057	0.4
231.70171	0.5
380.47528	0.4
493.83313	0.5
496.24460	0.5
525.66010	0.5
581.68097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12959	0.2
56.99028	0.2
57.09325	0.2
71.96891	0.2
72.88308	0.2
79.95743	1.0
96.96004	100.0
111.86418	0.2
118.17277	0.2
177.75777	0.3
199.89461	0.3
209.07756	0.2
220.21727	0.3
243.31453	0.2
271.82932	0.3
553.82947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32912	0.2
53.03448	0.2
59.01379	1.8
70.39211	0.2
71.01380	0.5
73.02947	0.3
79.82721	0.3
79.95748	0.6
83.50621	0.2
89.02424	0.3
93.77160	0.2
94.23149	0.2
94.80638	0.2
96.96009	100.0
98.95534	0.2
101.02449	0.6
113.02437	1.2
191.05637	0.4
195.33769	0.2
321.43347	0.2
440.11035	0.3
594.65320	0.2
619.29370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82490	0.5
72.13046	0.5
79.95734	0.7
96.96002	100.0
97.55283	0.4
191.15529	0.4
205.38057	0.4
231.70171	0.5
380.47528	0.4
493.83313	0.5
496.24460	0.5
525.66010	0.5
581.68097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58974	0.8
54.10829	0.6
59.01375	0.8
59.97122	0.6
69.04812	0.7
72.99302	63.2
81.11057	0.7
89.02428	1.6
101.02462	1.0
109.02892	1.2
123.04496	16.0
123.05307	1.3
135.04526	24.1
140.47733	0.7
179.03506	66.0
197.04565	81.0
306.79703	0.8
341.08795	3.1
359.34506	0.9
462.12119	0.9
463.42798	0.8
619.18866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18728	1.0
56.50515	1.1
59.01379	1.3
64.00458	1.1
68.23431	1.0
71.01381	1.5
72.99303	69.3
75.00858	2.4
89.02420	1.1
123.04514	17.9
135.04514	21.2
151.03992	1.9
153.34200	1.2
178.02654	1.4
179.03513	72.6
195.87364	1.2
197.04567	95.8
216.12445	1.8
254.09387	1.2
521.15454	4.9
619.18835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71979	2.4
52.53831	2.4
53.08039	2.2
53.51010	2.7
53.53670	2.5
60.89915	2.3
61.80727	2.5
72.99306	57.4
75.64714	3.7
80.36915	2.9
89.02500	2.5
108.96310	3.1
123.04499	12.5
135.04480	19.8
151.03996	6.4
168.62378	2.9
179.03503	52.8
193.05110	6.8
197.04559	59.4
275.57199	2.8
328.04602	3.5
517.53015	3.1
619.18872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30952	0.8
52.57454	0.7
58.73793	0.8
59.01386	2.1
71.01388	1.1
72.99303	60.7
83.67231	0.9
89.02417	1.4
103.79977	1.3
105.97334	1.1
109.02969	1.3
111.66621	1.2
123.04524	14.9
132.92542	1.0
133.66301	1.1
135.04521	21.6
163.98141	1.2
179.03497	62.6
197.04564	65.1
300.64572	1.0
309.45419	1.0
341.09024	1.9
376.37543	1.0
431.21808	1.1
477.93884	1.1
619.18823	100.0
623.18103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22018	2.2
59.01381	4.2
60.43160	2.5
62.27402	2.2
71.01375	30.3
72.99272	3.0
78.95905	19.2
85.02934	3.1
96.96964	9.5
101.02428	2.8
115.00362	22.4
133.01414	16.5
135.06674	4.2
146.08850	2.5
161.25826	2.5
164.04761	19.1
190.02715	25.5
191.05650	2.9
205.05081	100.0
221.08063	2.8
223.06084	37.7
265.07114	10.1
281.95853	2.5
341.98672	2.7
374.91168	2.7
452.94489	2.7
503.17737	81.0
581.18323	3.5
601.18195	2.7
619.18842	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98097	0.5
57.71032	0.6
59.01377	3.4
62.68471	0.5
71.01365	1.1
71.06912	0.5
72.99303	59.9
79.70226	0.6
89.02413	1.2
89.57330	0.6
101.02408	1.2
107.26829	0.5
109.02930	0.6
113.02441	0.8
113.75341	0.6
115.00378	0.7
119.03477	1.0
123.04503	16.3
130.15730	0.6
131.07152	0.9
135.03488	0.9
135.04515	23.4
151.03944	2.3
179.03496	66.4
197.04567	74.2
199.06813	0.6
211.37518	0.6
220.81340	0.7
293.12418	3.3
325.80609	0.8
341.08716	1.3
559.85474	0.8
619.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98097	0.5
57.71032	0.6
59.01377	3.4
62.68471	0.5
71.01365	1.1
71.06912	0.5
72.99303	59.9
79.70226	0.6
89.02413	1.2
89.57330	0.6
101.02408	1.2
107.26829	0.5
109.02930	0.6
113.02441	0.8
113.75341	0.6
115.00378	0.7
119.03477	1.0
123.04503	16.3
130.15730	0.6
131.07152	0.9
135.03488	0.9
135.04515	23.4
151.03944	2.3
179.03496	66.4
197.04567	74.2
199.06813	0.6
211.37518	0.6
220.81340	0.7
293.12418	3.3
325.80609	0.8
341.08716	1.3
559.85474	0.8
619.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18728	1.0
56.50515	1.1
59.01379	1.3
64.00458	1.1
68.23431	1.0
71.01381	1.5
72.99303	69.3
75.00858	2.4
89.02420	1.1
123.04514	17.9
135.04514	21.2
151.03992	1.9
153.34200	1.2
178.02654	1.4
179.03513	72.6
195.87364	1.2
197.04567	95.8
216.12445	1.8
254.09387	1.2
521.15454	4.9
619.18835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.4
61.98833	78.7
65.13078	5.6
69.99756	5.7
71.01380	7.7
101.02419	6.5
118.37035	7.0
130.93892	6.4
146.75989	5.9
150.03235	30.2
165.05542	77.6
175.04021	43.6
179.68179	5.8
180.85335	6.7
184.94246	6.3
195.06680	31.9
205.68234	5.9
322.08157	9.8
323.09384	13.8
324.09674	7.9
325.10196	7.7
339.08496	9.7
343.11816	11.7
355.11533	6.4
357.13452	11.0
369.13333	11.5
439.15945	12.0
457.18170	7.2
479.27969	6.5
583.21924	100.0
589.22308	42.7
601.22083	74.8
619.23340	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98894	1.2
59.01368	1.9
66.97536	1.3
69.96355	1.1
71.32708	1.2
75.00866	2.8
89.02414	1.6
96.95985	1.8
135.04622	1.7
148.41368	1.3
149.02423	9.4
162.01871	2.5
162.03217	72.1
163.04013	2.1
164.04749	16.3
169.96724	1.6
175.00302	10.4
177.05574	75.5
190.02728	96.7
205.05074	79.5
205.07042	2.5
209.04576	1.5
220.13029	1.3
223.06082	8.4
337.07809	2.6
353.24365	1.7
441.13950	10.9
446.70560	1.7
450.42297	1.4
619.20300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88781	0.5
59.01377	3.0
61.98816	0.9
71.01381	2.3
73.02936	0.7
79.80028	0.5
85.02943	0.9
85.56339	0.5
89.02418	0.7
96.95905	0.6
97.02934	1.0
97.38126	0.5
101.02436	2.3
111.04512	0.6
113.02457	0.8
115.03988	3.2
119.05015	31.2
121.03000	0.6
127.03987	1.2
145.02950	15.2
155.03580	0.5
161.06067	0.8
163.04007	100.0
167.35431	0.6
189.05537	3.4
217.08714	2.1
235.28705	0.5
261.07684	35.4
275.09293	0.6
303.08786	34.4
333.09787	4.0
350.27390	0.6
359.11340	12.8
360.42783	0.6
363.10873	17.4
401.12451	1.9
423.12985	5.8
461.14539	5.0
500.01605	0.6
521.16595	11.2
619.20203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00778	0.7
57.69016	0.7
59.01381	39.7
59.01685	1.4
71.01379	26.3
73.02942	0.9
73.61726	0.6
84.34489	0.7
85.02940	1.7
87.00870	1.1
89.02437	45.2
95.01366	1.1
97.02936	10.7
97.11231	0.8
101.02444	23.5
113.02437	15.6
115.04027	0.8
119.03486	19.6
125.31652	0.8
131.03413	1.0
149.04611	1.0
150.19331	0.8
161.04547	1.0
179.05693	1.6
190.44690	0.8
191.05579	3.8
201.17680	0.9
208.71063	0.8
254.24260	0.8
277.09305	100.0
320.36493	0.7
341.10788	1.1
545.38293	0.9
563.74951	0.9
619.21130	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31033	0.7
59.01382	37.4
71.01378	22.1
73.02959	0.7
77.90549	0.7
79.53915	0.6
80.62599	0.7
83.84267	0.7
84.49486	0.7
85.02951	3.7
87.00865	0.8
89.02440	42.0
92.86037	0.8
97.02932	8.5
101.02444	21.3
113.02454	11.7
119.03491	20.3
124.49830	0.8
131.03552	1.1
143.03444	1.0
149.04471	0.7
161.04581	1.8
179.05623	3.2
209.16129	0.8
277.09308	100.0
340.23224	0.8
341.10886	1.3
435.27841	0.8
565.98450	0.9
619.21240	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
69.12428	0.7
71.01395	7.0
71.01738	0.7
72.93256	0.7
72.99293	4.8
85.06591	0.9
89.02446	11.7
93.89783	0.8
99.69988	0.9
101.02469	6.0
113.02456	5.2
113.06081	1.5
119.03488	4.7
119.04995	0.8
131.03500	0.9
131.07141	40.6
135.04504	0.9
163.04044	1.9
173.08171	1.7
179.03479	5.3
197.04514	5.1
289.55225	0.9
293.12473	100.0
375.91919	0.9
613.99316	0.8
619.18793	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
69.12428	0.7
71.01395	7.0
71.01738	0.7
72.93256	0.7
72.99293	4.8
85.06591	0.9
89.02446	11.7
93.89783	0.8
99.69988	0.9
101.02469	6.0
113.02456	5.2
113.06081	1.5
119.03488	4.7
119.04995	0.8
131.03500	0.9
131.07141	40.6
135.04504	0.9
163.04044	1.9
173.08171	1.7
179.03479	5.3
197.04514	5.1
289.55225	0.9
293.12473	100.0
375.91919	0.9
613.99316	0.8
619.18793	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18178	1.8
55.66910	2.0
56.00092	2.0
59.01387	12.7
64.33250	1.9
69.75681	2.7
71.01385	11.5
73.02953	4.7
85.02946	10.0
101.02453	17.5
101.06049	3.4
110.93115	2.2
113.02449	5.3
121.02972	2.6
127.84845	2.3
143.90344	2.7
157.56891	2.3
175.04005	11.7
195.06758	2.8
268.07538	3.1
269.08228	12.7
283.09830	30.6
284.10623	3.8
310.08640	5.5
311.09305	14.4
322.08511	10.6
323.09229	15.5
325.11029	16.5
328.09644	2.8
337.10699	3.5
340.09445	8.5
341.10364	2.8
343.11954	39.8
355.11902	32.0
589.23010	100.0
601.23035	29.3
619.24292	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.9
61.98841	2.0
62.93714	1.2
66.67954	1.5
67.46914	1.3
71.01373	16.0
73.02945	6.1
85.02941	8.2
87.33151	1.4
89.02441	9.2
101.02439	15.3
113.02447	9.3
115.10559	1.3
119.03483	2.2
121.02938	5.6
123.04504	2.4
134.03751	1.8
160.01514	4.6
161.04530	1.9
171.10289	2.1
175.03996	26.3
193.05093	7.6
231.75055	1.4
249.01007	1.5
263.11392	1.9
267.06747	1.9
268.07440	2.6
269.08249	16.1
283.09769	34.2
284.10507	6.9
295.09637	1.7
299.12698	1.7
307.06134	2.1
310.08444	8.5
311.09335	17.8
322.08530	13.1
323.09323	15.2
325.10858	20.6
328.09546	6.7
337.10962	5.6
340.09506	6.8
341.10394	3.3
343.11871	31.5
355.11975	33.6
439.16138	11.8
589.23022	100.0
601.22766	34.1
601.31989	2.0
619.24280	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61844	0.6
59.01384	1.1
66.89875	0.6
71.01395	1.1
72.38223	0.7
72.39690	0.6
73.02929	1.0
75.00866	3.0
86.97255	0.7
87.00884	3.0
96.96023	0.8
109.02914	0.7
121.02949	1.0
125.09782	1.0
136.05368	1.5
150.03217	3.3
159.04529	1.6
160.05315	13.6
161.04681	0.7
161.06090	1.7
163.03993	3.0
164.04788	4.6
173.06067	1.0
175.07642	31.9
177.05582	4.7
178.06366	21.0
187.09526	0.7
191.05595	9.0
192.07924	12.6
193.08698	5.3
195.06627	1.0
225.20589	0.7
252.01759	0.7
329.13971	100.0
359.10553	1.0
359.15021	28.5
487.06384	0.9
521.20386	6.4
619.28687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01985	0.4
95.65571	0.4
124.97240	0.5
143.73969	0.5
205.82980	0.5
210.55325	0.5
281.24918	0.7
290.58426	0.5
299.67767	0.6
425.40866	0.6
458.17191	0.7
459.18353	100.0
473.19867	16.0
474.20926	5.5
487.18015	0.9
499.17917	0.6
500.18619	0.6
501.19406	1.8
503.17383	3.8
517.18787	2.5
518.19653	35.3
532.21326	2.8
533.22021	23.3
544.21014	0.6
545.21222	0.5
548.19708	0.5
571.83258	0.5
587.23328	5.3
619.25720	83.6
619.42017	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31036	1.6
59.01385	100.0
69.81995	1.8
71.01382	65.3
72.99301	7.1
73.02937	29.3
79.13573	1.4
83.01385	6.6
85.02959	10.1
87.00887	2.0
89.02440	50.7
89.02959	2.6
93.03447	1.5
95.01402	1.7
101.02436	44.0
113.02460	22.2
115.00394	13.1
115.04021	2.6
119.03494	20.9
119.05017	2.6
120.08247	1.7
131.03534	2.2
133.01422	9.2
143.03529	2.6
143.40770	1.9
145.03000	1.9
149.02493	2.0
149.04575	3.7
161.04524	19.3
163.03990	1.7
164.04816	12.4
179.05681	23.6
179.07121	2.8
190.02686	14.1
205.05074	74.1
211.07582	6.7
220.72157	1.8
221.06650	2.3
223.06093	26.6
226.11919	1.6
265.07297	2.7
327.08978	2.6
381.60294	1.8
489.14001	2.5
503.17795	60.3
575.27045	8.8
619.18622	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51072	1.1
51.93937	1.2
53.24284	1.2
55.30018	1.2
59.01381	100.0
70.89777	1.3
71.01376	53.8
72.99320	1.8
73.02945	30.6
75.58362	1.4
83.01385	8.0
85.02931	10.3
89.02438	58.3
95.01381	3.4
95.88370	1.4
101.02443	45.5
102.57652	1.4
113.02444	29.7
119.03497	18.1
120.82094	1.4
131.03496	6.9
142.70169	1.4
143.03500	3.1
149.04559	6.2
161.04576	16.9
161.82043	1.3
170.66173	1.9
179.05621	29.5
190.40094	1.4
191.05632	2.7
221.06586	5.4
240.58438	1.4
263.95282	1.6
441.35242	1.7
540.53339	1.9
575.26733	6.7
620.84039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95132	0.2
51.57922	0.2
52.30804	0.2
59.01381	0.5
67.46316	0.2
70.30392	0.2
71.01379	0.3
72.99299	0.2
73.02948	0.5
74.84007	0.2
79.95734	1.5
81.43507	0.2
87.00869	0.2
89.02440	0.4
96.96004	100.0
97.95956	0.2
98.95595	6.1
98.96373	0.9
115.04018	0.3
115.96538	0.2
134.76958	0.3
160.47423	0.2
161.09715	0.4
191.48300	0.3
235.13443	0.4
263.99191	0.2
459.52307	0.3
467.18790	0.3
557.69519	0.3
559.24725	1.2
619.29395	0.9
631.37653	0.3
646.55396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2895
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
59.01366	3.7
64.67152	0.7
68.42805	0.9
78.95459	1.5
78.95898	32.5
96.21195	0.8
96.94897	0.8
96.96962	6.1
97.03957	0.9
109.30584	0.9
125.09707	1.0
144.46783	0.9
145.41780	0.8
152.99583	57.8
177.91542	0.8
186.79002	0.8
187.09676	1.2
205.19669	0.9
223.00044	4.6
234.59908	1.0
241.01181	22.9
259.01962	0.9
259.24164	1.3
303.23334	19.9
315.04773	4.5
321.74969	1.0
444.18591	1.1
453.25592	0.9
471.83908	1.1
619.28857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38519	0.6
54.79326	0.6
59.01376	1.5
60.94828	0.6
61.98837	0.8
71.89080	0.6
78.95458	1.2
78.95898	25.0
79.27345	0.7
83.65353	0.6
83.86702	0.6
96.96944	8.2
104.33444	0.8
126.66570	0.7
148.35214	0.7
152.99571	42.5
223.00107	1.0
225.52396	0.8
229.34529	0.7
241.01190	29.4
258.20593	0.7
259.02725	0.9
259.24268	3.4
292.61932	0.7
303.23352	22.9
312.41360	0.7
315.04825	2.9
383.13330	0.7
383.18634	0.8
390.66159	0.8
401.55066	0.8
619.28937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72565	1.1
59.01364	2.1
63.43926	1.1
78.95899	74.9
96.96900	7.1
98.73804	1.7
125.09634	9.3
152.99586	80.2
171.00584	2.1
187.09749	12.5
223.00015	9.6
241.01201	21.8
259.24255	1.8
265.14703	1.9
277.21454	3.0
279.27954	1.5
295.22604	6.2
303.20343	1.8
303.23291	33.2
315.04623	6.9
539.71808	1.6
619.28864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59628	0.8
53.41824	0.9
59.01368	2.3
60.19518	0.9
61.98835	0.9
63.62546	0.9
66.87537	0.9
67.30133	0.9
68.21031	0.9
69.79183	0.9
73.88690	1.0
78.95481	2.0
78.95903	45.8
96.96941	7.7
125.09669	5.1
152.99590	63.5
171.10191	2.1
187.09642	7.0
223.00029	5.6
241.01169	22.2
244.25026	1.1
259.24185	2.2
267.31403	1.2
277.21655	2.0
296.27991	1.1
303.23364	22.2
315.04718	2.2
333.05939	1.3
412.30219	1.3
619.28815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24368	1.3
78.95896	3.4
97.12427	1.7
123.00891	3.8
137.02443	100.0
137.03506	3.8
149.02359	1.6
152.99609	2.5
167.03525	3.6
189.45720	2.0
191.23975	1.8
197.28647	1.6
204.26135	1.6
255.23300	2.8
265.21738	16.7
379.15433	2.2
389.13858	15.7
407.14810	7.4
419.14838	2.8
453.48459	1.7
514.27216	2.2
527.28070	15.9
545.29156	47.3
557.29437	2.6
575.30304	16.6
619.28931	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.8
69.36145	1.2
72.98883	3.0
72.99298	92.4
78.95895	1.9
105.01920	5.9
109.02914	1.3
110.53346	1.3
123.04507	26.8
135.04515	45.0
152.99590	2.4
179.01913	3.2
179.03490	81.3
183.93921	1.5
189.40958	1.4
197.04568	93.0
219.02280	1.3
263.53934	1.6
277.21591	1.4
525.04364	1.4
619.31311	100.0
619.40936	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.0
66.81738	1.3
67.67185	1.2
67.72724	1.4
72.11914	1.4
73.15856	1.6
78.60439	1.5
78.95906	100.0
78.96370	3.5
90.60841	1.5
96.96963	2.3
125.09737	19.1
139.44760	1.5
152.99591	29.2
155.06390	1.5
171.08342	1.7
171.10214	1.9
187.09796	33.6
195.13850	7.9
204.54865	1.6
262.53186	1.8
277.21680	7.5
295.22830	19.5
323.08893	2.0
437.60941	1.9
520.34088	1.8
619.32623	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3263
Annotation	Keenamide A
Peak:m/z	Relative Intensity
50.17307	0.7
58.62004	0.6
69.49017	0.8
74.78832	0.7
75.20073	0.6
78.95904	100.0
96.96967	2.5
97.06575	0.7
101.29501	0.8
105.03995	0.7
125.09721	18.4
152.99586	28.7
164.18314	0.8
169.08801	0.8
171.10304	1.8
187.09773	35.4
195.13928	5.2
277.21793	8.2
295.22815	14.3
323.09033	3.1
619.32678	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60899	0.6
55.36814	0.6
57.61394	0.9
59.01379	5.4
71.01372	13.3
73.02946	8.3
83.01382	1.7
85.02943	7.0
88.99460	0.8
89.02433	3.6
92.34039	0.9
99.00878	4.3
101.02435	25.1
113.02431	12.7
121.38531	0.9
125.02434	1.6
131.03520	0.9
141.09241	7.6
143.03442	1.1
159.03008	3.6
161.04550	19.8
171.10295	23.9
172.82906	0.9
215.96477	0.9
233.06552	1.0
260.65915	0.8
264.93207	0.9
293.60321	0.8
315.18140	23.3
411.01627	0.9
447.22433	100.0
522.88654	1.0
619.24469	1.3
619.33545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.5
61.98833	43.7
65.91294	1.7
70.60443	1.6
71.01382	19.4
73.02941	8.4
83.45361	1.8
85.02959	4.1
89.02445	22.7
101.02438	24.5
113.02442	12.1
119.03515	7.5
119.05000	2.4
133.67191	1.9
143.03514	2.4
145.02957	21.2
151.11282	14.9
161.04478	7.1
163.04045	3.8
169.12352	4.2
171.10287	3.6
179.05611	3.7
185.11850	2.0
195.13934	11.0
226.41899	1.9
277.21786	13.8
290.58249	2.2
291.18228	12.3
295.22833	52.3
309.20825	11.7
322.34186	2.1
341.10947	16.1
423.22806	2.5
457.26105	4.5
480.38553	2.1
619.33398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67442	1.3
54.04642	1.3
59.01381	73.2
71.01376	3.6
83.90073	1.4
94.70675	1.6
98.62148	1.4
101.02412	2.2
120.51969	1.3
146.28069	1.5
147.90721	1.6
171.10294	6.8
183.10242	1.5
211.13480	3.6
277.21741	100.0
284.20706	1.7
291.19775	2.3
293.21341	2.1
309.20673	2.4
391.26965	1.5
397.27484	40.1
427.32040	2.0
619.42963	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4011
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
57.23329	0.1
66.67609	0.1
69.96968	0.1
70.79385	0.2
72.99306	4.6
78.95911	0.2
80.77467	0.1
87.00816	0.1
104.60945	0.1
123.04508	1.6
133.02942	0.7
134.03749	1.2
135.04527	2.8
137.02480	0.6
139.03952	0.2
150.46198	0.2
152.65675	0.2
161.02437	12.4
163.04007	0.3
178.02731	0.7
179.03502	5.3
192.86496	0.2
197.04546	5.0
210.80806	0.2
280.09180	0.2
386.34531	0.2
619.32080	4.8
619.40112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4013
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
63.05751	0.1
78.95901	0.3
81.44347	0.2
85.63840	0.2
89.23160	0.2
117.57581	0.1
133.02977	0.4
134.03725	1.0
135.04515	0.8
137.02444	0.8
161.02444	12.4
179.03548	1.4
182.02284	0.3
193.35468	0.2
457.75601	0.2
529.10596	0.2
619.40143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4012
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
66.83712	0.3
69.94067	0.3
99.89294	0.3
133.02888	0.4
134.03705	0.8
137.02502	0.4
161.02438	12.6
178.02740	0.5
179.03468	0.4
197.18033	0.4
258.84222	0.4
325.61667	0.4
619.40137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78508	0.3
56.75916	0.3
73.35963	0.3
75.84671	0.4
78.95883	0.6
81.79564	0.4
85.28600	0.4
90.29037	0.4
102.42781	0.3
127.20144	0.4
133.02942	0.6
134.03741	1.6
134.45789	0.4
135.04578	0.5
161.02437	13.8
161.52411	0.4
175.11360	0.4
179.03471	1.6
273.95767	0.4
433.33932	0.5
571.32605	0.4
619.40149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.1
61.05364	1.5
61.98838	8.4
64.40652	1.9
71.01401	2.2
77.50786	2.0
79.10568	1.6
89.02403	3.2
119.04991	1.9
119.08651	7.8
121.54876	1.8
125.09736	2.4
137.09718	44.6
142.39200	2.0
169.94183	2.1
171.10275	65.0
201.11418	3.2
209.11824	4.4
219.79303	2.2
225.14771	2.6
291.19583	4.5
309.20773	100.0
341.11115	3.5
422.57047	2.2
466.87119	2.1
597.19897	2.5
619.32184	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73624	1.6
52.55281	1.8
57.03445	3.9
59.01381	4.4
61.98838	18.4
71.02083	2.3
77.02969	2.1
83.05046	3.7
89.02457	3.3
111.08151	3.3
113.09722	33.8
117.60767	2.4
137.09671	2.6
145.02975	9.8
147.52692	2.4
147.78093	2.0
163.03973	3.3
171.10263	42.7
177.90788	2.2
193.12366	2.7
193.33058	2.0
195.10281	53.6
277.21826	3.7
291.19849	14.3
295.22690	8.8
309.20767	100.0
325.57520	2.4
334.54791	2.2
457.25949	4.0
505.20242	2.2
619.32623	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84245	5.3
52.27330	4.7
53.11084	4.8
59.01368	6.1
64.51283	6.7
73.56250	6.6
78.95924	9.4
80.06907	6.0
81.49213	5.5
88.09467	5.6
89.26350	6.2
90.36629	5.6
97.06520	9.0
98.20213	5.7
102.92338	5.6
125.21147	5.5
126.29027	6.9
137.09743	8.6
144.54924	6.1
152.32948	6.6
171.10283	14.8
173.09842	5.9
176.30435	8.0
183.10178	9.6
185.11868	7.3
187.33578	5.6
221.15454	9.7
236.95293	6.7
291.19696	92.3
293.21219	8.8
309.20728	37.3
442.34229	7.3
496.63705	8.4
619.42157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.422
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	3.0
90.88384	2.3
96.20562	2.7
97.98006	2.3
110.22855	2.8
111.08159	16.0
137.39626	2.9
169.12360	4.2
181.12383	3.0
197.11855	59.3
199.13416	3.8
211.13446	5.8
232.22789	2.6
254.12801	2.5
268.29153	3.0
291.19711	5.5
309.20743	100.0
420.67236	3.0
462.38727	2.6
606.57550	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60909	1.4
59.01382	6.1
64.59462	1.3
71.05020	7.5
73.01601	1.4
76.91158	1.4
91.74174	2.1
137.09724	13.6
159.37511	1.8
171.10263	36.9
185.11826	8.1
191.05627	2.0
201.25664	1.6
207.59775	1.8
251.16475	14.2
291.19681	36.4
307.12982	1.9
309.17239	3.7
309.20764	100.0
398.97562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27870	6.4
60.39401	5.5
61.04571	6.6
79.79722	6.8
101.21111	7.7
137.09784	6.9
170.11780	7.6
171.10252	32.8
214.14799	6.6
263.69812	6.6
291.19669	41.4
309.20657	100.0
365.92929	8.1
456.17221	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98826	1.0
60.07083	1.1
63.97683	1.3
72.66419	1.2
86.07377	1.2
88.49210	1.1
99.92592	2.4
110.50359	1.3
116.92850	100.0
117.01922	1.8
122.07540	1.4
133.01425	6.7
248.96411	1.3
284.19571	1.4
311.00916	1.7
410.36017	1.6
637.66223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	3.1
61.98833	6.1
76.06270	1.5
76.46132	1.6
78.95900	6.3
85.02963	8.1
92.23093	2.9
96.78541	1.5
103.03987	12.4
133.05066	32.7
135.73294	1.6
150.90678	1.5
152.99672	5.5
155.89986	1.6
159.63893	1.5
186.58481	1.6
227.53822	1.7
257.04620	1.9
314.04599	3.1
315.05341	6.3
316.06259	11.3
322.09015	2.3
323.09650	2.8
327.05344	3.4
328.06088	2.8
329.06897	2.1
331.08167	1.9
336.10464	8.0
338.08279	20.5
340.09943	6.0
344.05640	6.4
350.08069	2.5
353.10736	7.9
356.09631	2.3
359.07977	2.1
362.10211	2.7
368.09244	37.9
374.10342	7.0
382.07037	14.3
384.08881	12.2
386.10495	6.7
410.10419	2.3
412.08197	74.1
412.13040	3.2
416.15033	10.2
418.57303	1.8
420.13550	1.9
427.10712	23.5
442.13019	100.0
460.14014	3.5
504.13104	37.8
620.32629	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60281	0.8
55.36454	0.7
68.94330	0.8
71.00561	0.8
74.60344	0.8
85.02907	0.9
93.51028	0.7
95.65053	0.8
113.02305	0.9
118.09279	0.8
120.49816	0.8
123.04478	1.1
125.02435	2.2
135.96136	1.0
151.03984	1.2
160.94899	1.0
165.01938	6.9
173.06010	1.8
178.02707	2.0
190.02698	1.0
194.60954	1.0
195.02959	7.5
227.07123	1.4
241.08669	1.1
243.06584	3.9
245.08159	8.9
255.06589	1.1
255.10101	1.5
257.08270	10.4
276.06549	1.8
277.07401	1.1
281.08258	1.7
282.09137	1.2
283.09708	3.6
285.07770	1.1
287.09137	1.1
299.09195	7.7
304.06177	5.9
305.06961	32.4
328.06192	4.4
382.99460	1.1
412.08054	1.4
544.14178	1.5
556.06317	1.1
560.16986	1.1
561.17828	1.5
602.17969	1.5
620.19342	100.0
641.45319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34693	1.1
53.01476	1.1
56.18092	1.3
56.80686	1.1
61.34555	1.3
67.61873	1.3
81.58402	1.3
85.79184	1.1
90.08309	1.3
103.87471	1.3
110.09361	1.2
142.45940	1.4
160.04059	1.6
161.04820	67.3
162.05641	13.7
192.03011	3.1
193.03787	14.1
196.71919	1.6
216.02594	1.4
235.34674	1.5
250.07045	1.6
262.08844	1.5
271.10928	12.1
283.10907	100.0
301.11929	48.2
337.63910	1.3
347.10922	1.5
359.05508	1.6
434.05106	1.5
620.20563	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
69.85203	0.7
71.97283	0.8
85.02953	1.2
103.04006	5.4
108.52684	0.8
123.60495	0.7
133.05070	10.5
135.04573	1.7
137.00642	0.9
165.00169	28.6
165.07962	3.5
166.00845	1.4
167.01685	1.0
180.10335	3.7
181.03378	3.4
193.03317	4.5
195.03600	4.8
196.04431	7.4
210.05930	13.6
211.06717	19.6
224.07486	1.6
360.12796	100.0
375.15146	44.0
401.16867	11.3
416.19052	16.2
419.14099	10.4
442.17102	1.5
460.18094	27.6
486.15878	4.4
504.17072	10.3
545.71515	0.9
608.13055	1.0
620.21716	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07981	0.3
63.43016	0.3
67.54546	0.4
71.13380	0.3
99.08150	27.6
113.02439	22.9
127.07660	0.6
145.08704	100.0
150.45212	0.4
241.63165	0.4
270.04895	0.5
474.12637	4.7
548.32324	0.5
587.33099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65545	1.9
56.51904	1.5
60.30835	1.7
71.01377	8.6
72.99297	1.9
75.00900	3.1
79.26421	2.1
109.01694	19.1
130.08737	100.0
140.10851	13.7
142.08736	11.8
156.10262	2.5
166.08698	10.8
174.97282	1.8
179.03500	2.0
184.09781	9.2
186.07719	4.2
197.04506	2.6
210.07758	35.5
216.89940	1.7
228.08836	16.4
246.02654	2.0
246.09857	74.2
246.13461	15.3
259.82779	1.7
266.27524	1.8
344.62314	1.9
544.67535	1.9
620.18414	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52574	1.8
53.56618	1.8
54.09463	1.8
56.38076	1.7
61.98849	2.6
65.02021	2.1
65.03967	13.7
70.91138	2.1
71.05022	8.9
74.56078	2.6
86.04635	2.0
97.06572	26.5
121.06593	31.5
125.09721	22.4
151.48314	2.5
185.11844	39.8
190.58733	2.4
200.15120	2.5
209.11792	5.4
211.13451	22.1
235.13443	33.6
289.18100	8.8
307.19208	100.0
425.94058	2.7
609.30304	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46296	0.6
55.57609	0.5
56.91561	0.5
57.03435	1.1
58.02981	0.7
76.09678	0.6
97.06571	4.1
111.08144	5.6
118.59571	0.6
123.08125	0.8
125.09709	89.8
135.34628	0.6
142.12399	1.4
152.10791	1.5
168.10146	0.7
169.08672	3.5
172.09789	3.9
172.11200	0.6
184.33043	0.6
186.11353	66.8
215.57214	0.7
247.94002	0.6
278.21228	1.2
280.26514	2.9
282.02896	0.7
296.16196	0.6
321.21768	0.8
322.20258	5.9
326.44910	0.7
339.22916	31.8
354.09497	0.8
480.77606	0.7
620.50128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43590	0.2
57.75416	0.3
59.01387	0.4
71.01363	0.3
72.64873	0.3
73.32090	0.2
75.40261	0.3
79.95734	0.6
80.44006	0.3
88.10912	0.3
89.02447	0.4
96.96006	100.0
97.95931	0.5
98.95590	14.3
98.96428	2.7
111.00883	1.6
148.94768	0.3
151.03975	0.4
278.56424	0.3
621.24158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1767
Annotation	Dioonflavone
Peak:m/z	Relative Intensity
53.22224	0.7
54.58208	0.7
57.22512	0.7
59.44753	0.6
71.35351	0.8
83.25515	0.7
92.86873	0.7
97.78339	0.8
99.92521	0.7
101.25299	0.8
116.92850	12.0
123.04539	1.6
126.96598	0.8
133.01416	1.9
134.63672	0.8
139.02191	1.1
151.04039	1.0
167.01741	4.8
179.03427	0.9
181.71591	1.0
197.04535	4.5
260.64697	1.0
338.10315	9.7
344.09573	3.8
372.09131	100.0
534.06421	0.8
534.14404	31.8
621.17712	32.2
622.33014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92366	0.7
54.56200	0.8
55.76671	0.9
59.01380	4.8
59.42800	0.7
62.79484	0.8
71.01393	0.9
81.03469	6.4
83.05016	5.1
93.03442	7.1
96.95995	1.9
109.02940	2.1
111.04515	49.9
115.04017	1.3
119.05015	4.4
120.45693	0.9
127.04007	100.0
137.02432	19.5
145.02969	3.7
150.03128	1.0
151.03978	1.0
151.64226	0.9
155.03500	64.4
161.50633	1.0
163.04021	9.7
165.05618	5.1
183.48866	0.9
199.02493	79.5
217.03427	1.4
225.07602	1.1
286.02835	1.0
361.16684	1.8
418.59293	1.2
421.14975	5.2
425.14758	8.1
523.18842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
71.01391	1.1
83.00848	0.6
89.02423	0.8
93.03455	32.7
96.96006	3.4
97.02924	0.8
101.02428	0.9
113.02443	6.4
114.02777	0.5
115.04055	0.9
127.04072	0.6
127.67977	0.8
134.60646	0.7
137.02446	100.0
146.03755	0.9
155.03439	0.6
164.04825	2.9
165.05853	0.7
168.06506	0.7
174.57440	0.7
179.07115	3.0
179.86971	0.7
184.09773	0.7
190.02730	14.2
193.05106	1.2
199.02399	0.8
205.05067	12.1
223.06082	1.3
231.09839	1.2
352.57178	0.7
483.14868	0.9
621.21857	15.7
625.68268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
71.01391	1.1
83.00848	0.6
89.02423	0.8
93.03455	32.7
96.96006	3.4
97.02924	0.8
101.02428	0.9
113.02443	6.4
114.02777	0.5
115.04055	0.9
127.04072	0.6
127.67977	0.8
134.60646	0.7
137.02446	100.0
146.03755	0.9
155.03439	0.6
164.04825	2.9
165.05853	0.7
168.06506	0.7
174.57440	0.7
179.07115	3.0
179.86971	0.7
184.09773	0.7
190.02730	14.2
193.05106	1.2
199.02399	0.8
205.05067	12.1
223.06082	1.3
231.09839	1.2
352.57178	0.7
483.14868	0.9
621.21857	15.7
625.68268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47447	0.7
59.01378	3.8
66.19270	0.8
71.01385	3.5
74.94670	0.8
89.02440	5.2
92.23081	1.2
93.34166	0.8
99.00869	4.9
101.02444	1.7
110.87109	0.9
111.00858	1.4
113.02425	3.8
119.03499	1.4
147.04530	6.1
149.02435	22.9
164.04796	95.7
179.07155	15.5
190.02750	12.7
191.05627	4.8
205.05078	18.7
207.06609	4.0
208.03799	3.9
223.06128	100.0
314.94183	0.9
413.14447	1.5
585.21954	77.7
621.22107	4.0
621.31549	1.1
627.41730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26350	1.0
59.01372	1.4
72.99300	63.6
112.47934	0.9
120.75741	1.1
123.04531	14.6
133.07556	1.0
135.04507	20.7
179.03497	73.3
197.04558	75.1
219.44113	1.0
261.88162	0.9
474.65683	1.1
621.20410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
59.75122	0.4
64.83022	0.5
72.99306	3.0
78.95893	0.5
89.02427	0.7
93.03461	0.8
119.05023	2.8
120.71940	0.5
135.04515	4.5
140.11086	0.5
162.17273	0.5
163.04015	15.1
176.58652	0.5
181.05074	100.0
197.04556	1.0
201.77061	0.6
256.25797	0.6
277.09177	0.7
343.10367	55.3
359.09787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
72.45847	1.7
72.99282	4.1
77.29022	1.7
89.59785	1.6
94.96316	2.1
103.00366	47.1
103.04001	3.6
107.06136	1.9
109.71918	1.8
117.22780	1.9
133.05063	63.7
139.36974	1.8
145.64232	2.0
156.03683	2.0
175.06172	13.7
181.89647	1.8
197.04572	28.4
211.06050	7.6
219.05080	3.0
239.05606	27.5
273.32959	2.3
299.07614	3.2
444.12949	2.0
459.15231	35.2
459.20877	3.3
621.20294	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67276	0.7
55.69770	0.6
59.01378	1.1
69.23069	0.7
71.01392	0.8
71.45155	0.8
71.90176	0.7
85.44019	0.7
100.21467	0.7
108.96124	0.7
135.04535	1.0
146.03738	9.9
149.02452	6.6
161.06094	5.3
163.03973	1.7
164.04794	24.4
175.00345	7.8
179.03677	0.7
179.07138	20.4
190.02736	76.7
205.05067	80.4
209.04552	1.7
212.15869	0.8
213.87090	0.8
223.06137	7.7
329.13770	1.0
415.82385	0.8
438.61426	0.8
441.14111	1.3
485.57764	0.8
621.21893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.7
71.01394	3.6
78.95904	5.1
79.05524	1.1
85.02962	1.1
89.02431	5.6
96.95998	1.3
99.00871	7.1
100.82152	1.1
101.02433	4.1
113.02447	6.7
113.33096	1.3
114.48872	1.0
121.02982	1.5
125.09696	2.2
134.03758	13.8
135.08170	9.2
142.89058	1.2
147.04549	7.5
149.02431	36.6
149.06042	1.1
152.99579	9.9
160.01804	1.2
164.04790	94.9
172.33345	1.3
179.07094	8.3
190.02733	12.3
191.05452	1.0
193.05072	12.8
202.19936	1.1
205.05086	12.1
208.03879	1.8
223.06120	100.0
241.01198	4.6
249.14935	7.1
252.19405	1.3
255.79156	1.3
305.17551	1.7
329.10956	1.2
346.40009	1.2
408.71921	1.1
477.23419	5.6
621.22363	58.4
641.73511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80269	0.8
59.01382	81.1
71.01376	2.5
71.27420	1.0
72.99283	1.6
82.88348	1.0
83.95351	1.0
87.00876	1.2
89.02436	1.8
90.77583	1.1
101.02452	2.1
111.00822	1.4
113.02476	1.7
122.75220	1.1
124.01625	1.2
137.02429	1.7
138.03178	1.6
149.09534	1.2
153.05591	1.5
179.07104	1.5
181.05139	7.8
182.05852	10.3
183.06631	55.9
205.05086	2.0
247.89467	1.1
250.58131	1.1
252.03201	1.1
281.08200	1.7
293.08340	2.2
296.10553	2.6
308.10599	5.4
309.07736	45.9
309.11343	2.0
323.09253	5.3
324.10080	48.3
339.12424	100.0
619.09216	1.3
621.18512	14.2
621.29541	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02743	0.8
59.01374	9.9
62.01558	0.9
71.01379	10.3
71.41736	0.9
71.79852	0.9
73.02931	2.4
73.71028	1.1
73.97187	1.0
76.20071	0.8
78.13845	1.0
78.95908	1.0
81.66328	0.9
85.02901	1.3
86.90981	1.1
89.02438	10.9
94.40326	0.9
96.15530	0.9
96.21012	0.9
99.00874	20.9
101.02433	5.9
113.02452	10.8
119.03477	1.4
121.06047	1.1
131.03545	1.7
149.02446	6.4
161.04602	1.8
162.25452	1.0
164.04796	10.1
175.00371	6.7
179.07112	1.2
190.02734	78.5
191.05658	2.3
205.05061	100.0
223.06123	13.4
305.07144	1.1
306.94485	1.0
415.16040	9.1
589.91577	1.4
621.21973	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87379	0.6
50.95268	0.7
53.24064	0.7
59.01376	3.2
59.63715	0.6
64.16608	0.7
66.71963	0.8
70.22389	0.7
71.01376	1.9
75.45934	0.8
78.95891	1.0
85.02904	0.9
89.02435	5.0
89.45750	0.8
96.43167	0.8
99.00883	9.0
101.02449	1.6
113.02435	3.6
114.90226	0.7
121.02940	0.9
125.99894	0.9
130.12096	0.8
131.03459	1.1
147.04501	6.2
149.02431	36.0
164.04790	97.8
175.00398	1.3
179.07149	9.3
190.02725	15.5
191.05670	1.4
205.05070	17.8
208.03743	4.0
223.06116	100.0
359.16968	0.9
397.15219	1.7
415.16605	0.9
465.35251	0.9
621.22034	42.3
621.31726	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
59.78260	0.5
71.01378	3.2
81.03472	0.7
85.02942	1.1
89.02443	0.9
93.03467	0.9
94.90440	0.5
96.96006	3.3
97.02961	0.6
98.95590	2.4
101.02448	0.8
109.02971	0.7
111.04498	1.4
113.02467	0.7
115.03973	0.8
117.03478	1.1
119.05013	53.3
121.02938	2.1
122.03726	3.3
123.83202	0.6
127.03973	3.6
137.02419	1.1
145.02953	29.4
145.04100	1.3
155.03534	2.4
163.04005	100.0
165.05562	8.0
179.07137	1.0
180.74373	0.6
189.05618	6.7
191.05598	1.1
194.41536	0.6
199.02467	2.6
217.08728	1.0
231.05141	1.2
261.07727	1.0
271.09583	0.6
313.14551	0.7
315.12985	0.6
346.14133	6.8
361.16589	37.5
425.14590	77.1
523.17609	10.1
611.08490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76089	0.8
53.80710	0.7
58.54648	0.7
59.01377	8.4
64.47651	0.8
71.01366	6.4
72.99299	1.1
73.02940	1.1
85.02945	2.3
87.00877	3.4
89.02437	6.8
89.72858	0.8
90.20637	0.9
92.23067	1.0
99.00908	1.7
101.02438	4.6
111.00911	1.5
113.02446	9.4
116.92871	1.4
119.03498	1.1
119.04948	1.6
131.05023	2.1
133.06566	2.2
135.74532	0.9
137.06081	4.6
147.04518	1.8
149.06117	6.5
152.15048	0.9
207.06639	100.0
253.04166	0.9
268.62430	1.0
299.11423	1.2
311.02463	0.8
343.25604	1.0
413.14563	59.9
432.84476	1.1
621.21991	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20640	1.0
58.35281	0.9
59.01382	13.4
60.16390	1.2
62.08369	1.0
68.70234	1.1
71.01382	7.8
73.02938	1.8
75.02580	1.0
79.77178	1.0
85.02952	4.7
89.02448	12.4
99.00879	26.7
101.02444	4.9
105.01868	1.2
113.02450	11.0
119.03529	1.7
119.45908	1.0
131.03545	1.2
149.02417	1.7
149.04582	1.4
164.04805	15.8
173.04556	1.2
175.00381	6.8
175.04172	1.2
179.07216	1.6
190.02740	72.9
191.05627	2.5
205.05081	100.0
221.92090	1.5
223.06097	15.5
260.59039	1.3
415.16107	9.6
501.18076	1.7
591.23877	6.7
603.23767	1.9
621.21930	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.7
63.31812	0.7
71.01378	27.2
73.82066	0.9
76.42812	0.8
85.02943	2.1
89.02440	47.3
95.01397	1.2
101.02443	23.1
113.02436	17.9
118.41947	0.8
119.03494	22.1
122.88125	0.9
131.03462	1.1
143.03433	1.3
149.37094	0.9
161.04509	1.8
173.27600	0.8
179.05573	4.2
180.63756	0.7
235.93698	0.9
279.10889	100.0
341.10995	6.2
438.14758	1.1
505.58276	1.1
621.22833	6.2
630.57892	1.0
638.75421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05045	0.6
59.01378	40.4
61.93934	0.7
65.03181	0.9
71.01006	1.6
71.01373	24.7
71.77601	0.7
85.02945	1.9
87.00865	1.1
89.02438	43.2
95.01315	0.8
101.02436	26.7
113.02437	18.5
113.95535	0.7
116.42612	0.8
119.03484	21.1
121.89736	0.7
131.03473	0.9
161.04568	1.3
165.56622	0.8
166.02721	0.9
179.05600	3.3
191.05518	1.2
221.06589	0.9
221.21216	0.8
279.10858	100.0
331.82199	0.9
341.10797	6.1
350.48383	0.8
369.85187	0.9
621.22638	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58695	0.8
59.01381	39.3
59.10512	1.0
61.08830	0.8
71.01376	21.0
73.02946	2.0
87.00883	1.1
89.02440	41.1
96.96044	1.3
101.02434	23.6
113.02451	15.8
115.19000	0.9
117.01911	1.0
119.03491	16.5
127.57009	1.0
131.03522	1.5
132.74710	1.0
143.03531	2.2
149.04567	1.1
161.04567	1.3
166.01903	1.2
177.97832	0.9
179.05656	1.7
279.10867	100.0
341.10870	8.3
369.01172	1.3
373.05432	1.1
376.03354	1.2
388.46436	1.0
621.23016	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62656	1.1
59.01384	38.7
64.90778	1.2
71.01379	22.1
72.47473	1.2
87.00911	1.4
89.01888	1.5
89.02444	42.4
101.02435	20.5
113.02425	17.2
116.07240	1.3
117.01927	2.0
119.03488	17.5
130.08730	2.7
131.58598	1.3
134.04745	2.6
135.64330	1.3
161.04634	1.3
161.46759	1.3
179.05544	1.6
191.05652	5.5
279.10883	100.0
295.85788	1.4
341.10904	7.2
407.61377	1.5
460.02103	1.4
538.78949	1.4
616.51044	1.6
621.22595	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	43.3
68.53193	0.7
71.01382	25.3
72.99284	0.9
76.94848	0.7
79.18497	0.7
79.25066	0.7
85.02949	3.4
89.02443	49.3
95.01395	1.7
101.02447	25.4
113.02453	17.7
119.03491	21.4
119.04258	1.3
131.03523	1.4
143.03499	1.3
149.04573	1.2
152.87000	0.7
156.87250	0.8
161.04575	1.1
161.70386	0.7
179.05632	3.1
191.05553	0.9
202.50673	0.9
279.10889	100.0
341.10898	6.6
385.64835	0.9
387.67020	0.8
407.86633	0.8
619.15802	1.0
621.22888	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36330	1.2
54.83881	1.5
82.40907	1.7
83.00902	2.0
92.23095	1.8
106.40056	1.7
187.99660	1.7
278.90814	1.7
433.20383	2.5
444.19672	3.2
445.20493	9.9
446.21317	2.9
457.20529	6.5
458.21411	13.0
459.22229	25.8
461.23474	7.6
471.18314	7.4
473.19977	11.5
474.15973	2.3
474.20566	15.2
475.21664	2.7
484.19095	2.3
485.19824	8.6
486.20715	29.7
488.18497	19.8
489.19189	73.5
490.24402	2.4
501.23141	48.9
503.21075	8.4
512.18402	2.1
516.17944	22.4
518.23267	8.5
527.20630	3.0
530.19873	2.5
533.25818	23.8
545.22015	43.9
548.20721	26.1
559.23529	6.9
561.21594	6.4
562.22308	14.2
577.24591	12.1
621.23633	100.0
621.44073	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77765	1.7
74.71220	1.5
92.22544	1.8
96.68697	1.9
146.00957	1.8
171.10219	2.1
343.21414	2.5
433.20013	2.2
443.18979	3.0
444.19666	10.5
445.20288	16.5
446.21274	11.6
457.20410	10.6
458.21097	13.2
459.22375	29.2
460.22992	2.0
461.23569	11.9
471.17609	12.3
472.22192	2.0
473.24011	7.3
474.21408	30.1
485.19894	30.7
486.14148	3.1
486.20767	64.7
488.18219	16.5
489.18323	32.9
499.21146	3.5
500.22275	3.9
501.23004	100.0
503.20981	9.1
512.18683	3.2
516.17920	18.4
518.23029	12.1
527.20605	12.8
533.26202	32.5
544.20886	2.5
545.22003	61.7
548.21008	12.4
559.23621	17.1
561.21136	3.2
562.22528	12.4
577.24554	40.7
585.19464	2.0
589.20935	6.9
621.23712	40.6
621.43896	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12477	0.5
54.36112	0.5
59.01378	3.1
59.01658	0.4
71.01389	2.9
72.99313	0.7
73.02937	0.6
75.00827	0.5
77.88448	0.5
85.02929	1.0
89.02422	0.9
96.96001	1.0
101.02444	2.4
103.04053	0.6
109.02936	2.4
109.71804	0.5
113.02419	0.9
115.03970	1.1
116.92850	7.0
117.01932	0.6
118.88769	0.5
121.02945	2.5
122.03723	7.0
123.04509	0.9
124.01671	0.6
134.03746	0.8
135.04507	0.9
161.02477	2.2
165.05574	20.9
179.03392	0.7
179.07114	5.6
190.02649	0.9
199.63434	0.6
205.05087	0.7
298.12112	0.9
313.14407	0.9
315.12442	2.4
334.84387	0.6
343.15485	0.6
346.14255	18.5
361.16614	100.0
401.02512	0.6
406.26160	0.6
425.14890	0.6
444.26727	0.6
523.21936	8.7
621.20905	2.1
621.30511	1.1
630.27734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67270	1.7
59.01381	100.0
71.01369	33.6
73.02938	19.4
83.01376	3.3
85.02942	13.6
89.02444	46.5
101.02430	33.6
113.02441	30.9
117.72731	2.2
119.03462	14.2
155.43077	2.2
159.49316	2.5
191.05501	2.8
222.52055	2.6
228.40083	2.4
236.82503	2.1
252.30714	2.6
260.44693	3.2
434.45319	2.4
437.36981	2.9
463.00327	2.5
517.26654	57.6
535.27527	27.7
577.28668	72.8
621.28473	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01383	100.0
69.11285	1.7
70.68053	1.7
71.01379	34.9
73.02941	18.5
73.35265	1.7
83.01391	4.4
85.02965	22.3
87.00873	3.0
89.02426	19.3
95.01382	3.7
96.96004	53.1
97.02949	1.9
99.00854	4.6
101.02436	35.2
101.14594	2.0
105.01936	4.2
105.16018	1.9
108.48172	1.8
111.00853	3.0
113.02450	27.9
119.03490	12.2
127.03939	2.9
155.03410	2.9
159.03094	2.6
161.04568	8.8
191.05638	14.0
253.37238	1.9
290.94937	2.0
321.03885	1.9
325.67178	1.9
344.11813	2.1
349.50266	2.1
415.93158	2.4
513.24084	2.2
517.26483	83.4
535.27545	36.0
575.25616	2.0
577.28662	68.9
621.22229	11.1
621.31262	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
63.96241	2.4
67.22383	1.1
68.19247	1.2
71.01376	13.7
72.99300	9.4
73.02945	6.1
73.98338	1.2
74.99094	11.7
83.01392	1.3
85.02953	6.7
87.00881	28.1
87.58173	1.4
89.02430	2.6
91.71025	1.0
99.00867	1.7
101.02442	11.5
113.02441	6.9
117.97299	2.6
121.02904	1.8
130.51900	1.1
135.98361	17.8
136.99139	5.6
151.00632	1.4
161.04539	2.3
166.02719	8.7
181.05074	19.8
182.05884	15.0
191.05632	4.8
196.07346	2.1
197.08231	8.7
199.11584	1.4
251.62987	1.5
353.21695	2.0
368.84482	1.5
373.34299	1.6
387.10794	5.3
397.46298	1.3
417.15518	15.6
610.13898	1.6
621.21252	9.6
621.29816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.8
63.54347	0.9
63.69115	0.9
63.96245	1.2
64.25672	0.8
65.41357	0.8
65.78792	0.8
70.76370	0.9
71.01369	7.8
72.99298	2.0
73.54272	0.9
73.98322	1.5
74.99087	2.3
78.61298	0.9
84.14695	0.9
85.02956	2.3
87.00878	15.0
87.63867	0.9
89.02448	7.3
99.02730	8.0
100.05226	1.1
101.02440	7.0
103.02238	1.0
113.02449	4.3
117.97256	1.5
119.03387	1.2
135.98389	5.9
136.99100	1.2
164.04831	1.9
181.05118	2.0
184.79878	1.2
190.02750	5.0
191.05617	1.8
201.14116	1.1
205.05087	5.1
223.06125	1.3
279.63293	1.1
298.40176	1.1
305.38104	1.3
329.13934	2.2
335.20563	38.7
353.21558	22.7
387.10880	1.8
417.15775	6.2
441.23318	9.3
446.35611	1.0
612.31982	1.2
621.29797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2957
Annotation	Cycleanine
Peak:m/z	Relative Intensity
53.83286	0.8
57.68576	0.9
59.01382	6.2
71.01373	11.6
73.02946	4.3
74.99075	0.9
85.02954	6.6
87.00858	17.3
89.02424	4.2
92.23100	1.5
93.03470	1.8
99.00910	1.5
101.02448	10.4
113.02442	9.3
126.41822	1.1
135.04533	1.4
137.02420	9.8
146.03767	5.3
149.02429	6.0
161.04538	1.2
161.06053	2.0
164.04797	18.3
171.11479	1.4
175.00389	5.9
175.07657	1.8
177.05600	1.2
179.07126	14.9
190.02722	53.7
191.05623	2.1
205.05060	59.2
209.04604	1.8
223.06169	4.9
329.13858	2.3
330.14377	4.0
337.24054	1.2
361.16220	2.0
371.22647	57.3
375.13968	1.1
441.14053	1.6
458.35571	1.3
621.21539	53.6
621.29724	100.0
631.50989	1.2
632.62555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2959
Annotation	Cycleanine
Peak:m/z	Relative Intensity
59.01372	6.1
59.12581	0.8
60.97533	1.5
62.99087	0.9
63.96242	3.6
71.01379	13.3
72.99301	4.6
73.02937	4.4
73.98304	3.5
74.99096	14.8
75.00864	0.9
79.62001	0.8
83.01383	1.7
85.02933	4.2
87.00871	27.6
89.02428	1.7
96.96003	34.8
98.95576	0.8
99.00865	1.4
101.02440	13.3
104.94707	0.8
111.00870	4.2
113.02429	6.4
117.97346	1.5
119.51369	0.9
132.99698	1.1
135.98354	5.8
136.99135	8.0
151.00725	1.9
157.98015	0.9
161.04486	0.9
175.09767	4.3
235.08502	1.0
400.09637	0.9
544.63171	1.3
621.29706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15728	1.0
53.37505	1.4
57.36990	1.2
78.95900	37.4
90.42880	1.2
93.01898	1.5
96.96960	7.3
100.02542	1.4
103.77719	1.3
152.99586	62.6
192.41737	1.5
203.29471	1.3
223.00063	2.1
225.84915	1.5
234.22420	1.5
241.01215	37.2
305.24893	69.8
315.04919	3.4
396.98166	1.5
433.97626	1.8
573.07776	1.6
621.30554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37598	1.9
58.92211	1.8
59.00584	2.0
61.93452	2.1
62.39299	1.9
62.92628	1.7
66.20947	1.9
67.50794	1.9
75.25380	2.2
78.95892	29.9
84.51421	2.1
96.96944	4.5
101.78137	2.3
103.19550	2.1
152.99586	50.4
236.07835	2.5
241.01181	32.3
305.24860	60.2
315.04950	2.9
417.16293	2.5
621.30408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
59.29386	0.9
78.95470	1.4
78.95901	33.7
92.22548	1.0
96.96935	5.1
111.46165	0.9
119.05014	1.0
141.01782	0.9
152.99580	74.9
161.02402	1.1
163.04004	1.0
171.00624	1.8
197.89317	1.1
223.00093	8.2
241.01213	21.5
259.02005	1.0
305.24887	59.3
315.04797	4.4
333.05905	1.2
518.65894	1.2
522.78857	1.0
621.30237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42561	0.9
54.24337	1.0
59.01375	1.1
59.37278	0.9
65.90138	0.9
75.75595	0.9
78.95896	34.2
96.96942	8.0
152.99585	53.5
175.25189	1.0
178.61540	1.2
225.25145	1.0
241.01225	39.7
305.24896	73.5
315.04849	5.1
339.87949	1.0
341.50238	1.2
560.88019	1.2
569.92126	1.3
584.78149	1.1
621.30542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77265	0.8
54.46537	0.8
54.56728	0.9
56.51337	0.9
57.37055	0.8
59.01363	1.0
71.57442	0.9
72.72507	1.0
74.20174	1.0
75.41084	0.9
78.95895	28.3
88.16281	1.0
93.03533	0.9
96.96944	6.5
152.99579	66.9
154.43961	0.9
210.49023	1.0
223.00090	9.5
241.01190	21.7
259.02261	2.2
305.24869	60.2
305.28403	2.1
315.04846	4.2
326.50275	0.9
363.13275	1.2
621.30371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3051
Annotation	Delavayin B
Peak:m/z	Relative Intensity
55.83331	0.6
56.91849	0.6
66.48314	0.7
78.95902	24.5
93.79710	0.8
96.96957	5.7
123.18992	0.8
140.43309	0.8
146.15396	0.8
152.99586	52.3
164.17754	0.8
223.00136	1.7
241.01201	29.7
255.76450	0.8
259.02225	0.9
273.38123	0.8
305.24875	59.5
315.04962	4.7
621.30518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42973	0.4
57.40495	0.4
59.01383	66.1
61.98829	0.7
71.01383	9.5
72.04652	0.4
73.02924	3.5
75.00886	0.5
75.54005	0.4
81.36349	0.4
83.01385	2.0
85.02945	3.7
87.00856	0.5
89.02446	5.5
95.01377	0.6
97.02946	0.7
98.44762	0.5
99.00903	1.1
101.02432	9.9
113.02442	8.0
119.03467	1.2
119.04986	1.0
123.08134	0.5
125.02448	0.4
131.03519	0.7
151.13452	0.5
152.08400	0.6
159.02986	0.8
161.04533	3.3
163.04007	0.9
277.21771	3.2
295.22791	0.5
373.48404	0.7
423.22498	5.7
439.26895	1.0
457.28226	0.6
459.18057	0.5
475.28986	0.8
577.32379	100.0
621.30933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03556	0.7
51.67303	1.0
55.01877	1.5
57.03455	2.1
58.25750	0.9
59.01383	70.1
65.83015	0.8
70.76488	1.1
71.01380	51.9
71.01781	1.7
72.99263	1.0
73.02937	15.0
83.01388	8.1
83.05049	0.8
85.02947	20.2
87.00877	5.2
87.04514	1.4
89.02435	33.0
95.01355	6.2
96.96001	4.3
97.02932	3.4
99.00886	5.2
101.01775	1.5
101.02441	42.0
111.00851	1.0
111.04502	5.0
113.01656	1.6
113.02441	36.9
115.03998	14.6
119.03499	12.2
125.02417	3.4
125.09699	5.7
127.03970	6.9
129.01979	2.0
134.03671	1.1
135.04543	2.1
137.02414	1.7
143.03500	2.0
155.03517	5.6
159.02975	1.1
161.02386	4.2
161.04585	8.6
166.02710	1.2
175.04037	1.4
179.03534	1.3
181.05103	2.0
187.09741	7.2
191.05623	2.0
199.02560	4.7
217.17477	0.9
231.05118	5.6
265.45914	1.0
353.71649	1.0
399.23889	4.7
417.15759	2.1
417.25150	4.7
458.52567	1.0
459.26129	1.7
526.74353	1.1
561.29230	85.7
579.23138	1.0
579.30298	55.0
589.15851	4.6
621.20129	4.1
621.31409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90893	1.5
62.84650	1.4
72.98889	2.6
72.99299	78.1
72.99690	3.4
77.39537	1.5
78.95898	15.6
97.79276	1.5
113.13394	1.6
116.92763	2.0
119.66485	1.9
123.04498	15.6
131.99785	1.8
134.03734	2.1
135.04517	36.0
140.29321	1.7
149.02449	3.2
151.03969	12.6
152.99626	3.3
156.33441	1.7
171.10252	3.5
178.02657	3.8
179.03500	91.8
197.04561	93.4
239.05614	2.9
245.04454	1.8
255.23257	2.8
265.51413	1.7
279.23453	3.5
295.22739	2.8
340.40030	1.6
341.08841	40.1
343.21051	3.2
359.09836	14.6
369.41101	1.6
415.27811	1.9
460.47406	2.1
484.11221	1.8
621.33154	100.0
621.43799	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76079	1.0
53.19257	1.0
57.98746	1.1
72.99305	87.0
79.01241	1.0
90.07825	1.0
90.30930	1.1
90.34424	1.1
92.22527	1.7
123.04512	25.4
135.04518	41.0
152.99612	1.6
171.10260	4.7
179.03506	81.5
183.10263	1.9
183.73853	1.3
197.04568	100.0
215.05544	1.7
253.07652	1.5
277.21942	1.2
295.22845	2.3
311.22308	1.7
325.20139	2.2
341.08734	1.9
526.79321	1.4
587.92059	1.4
621.33075	96.0
621.43860	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04859	0.6
55.18726	0.7
55.41217	0.8
59.01381	65.0
71.01384	1.9
77.14099	0.7
85.02920	0.8
99.00890	0.8
101.02432	1.4
130.63779	0.9
133.03952	0.8
147.60893	0.8
161.04633	2.7
184.00763	0.9
206.37761	0.9
210.97636	0.9
219.54549	1.0
279.23312	100.0
280.25882	1.0
284.88065	0.9
298.10025	0.8
304.70398	0.8
382.23264	0.9
399.29065	38.0
502.18494	1.1
621.35992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84541	0.3
51.66844	0.3
66.39379	0.2
89.30771	0.3
125.57523	0.3
133.02989	0.6
134.03671	0.4
135.04530	0.7
137.02423	0.4
152.66374	0.3
161.02431	11.3
178.02704	0.4
179.03528	0.6
215.35464	0.3
226.86351	0.3
621.41693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73548	1.5
55.50942	1.4
59.01383	100.0
61.54296	1.7
70.59304	1.5
71.01383	2.5
93.42553	1.9
97.53373	2.0
110.81687	1.7
113.02498	2.0
124.98683	1.8
179.05533	1.6
183.99684	1.7
207.07715	1.8
209.83319	1.7
342.49109	1.8
380.08264	2.1
388.95102	1.9
621.43567	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66599	1.3
60.46262	1.1
78.87686	1.2
86.41785	1.3
99.92625	1.5
100.66382	1.6
115.00376	8.6
116.92858	100.0
119.35966	1.4
121.95770	1.4
133.01442	18.7
134.90668	1.2
187.03706	1.3
196.01448	1.5
220.72353	1.6
343.90640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13177	0.3
57.87613	0.3
65.76971	0.3
86.15027	0.3
99.92572	3.4
115.00351	0.8
116.92848	100.0
133.01411	2.9
170.93810	0.3
175.74629	0.4
213.94234	0.4
275.22668	0.4
315.59198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13177	0.3
57.87613	0.3
65.76971	0.3
86.15027	0.3
99.92572	3.4
115.00351	0.8
116.92848	100.0
133.01411	2.9
170.93810	0.3
175.74629	0.4
213.94234	0.4
275.22668	0.4
315.59198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88173	1.7
57.03453	1.9
59.01384	18.1
61.98808	3.6
63.01361	1.6
67.44438	1.7
71.01377	85.7
74.22105	1.6
76.83066	1.7
83.01418	2.1
85.02949	80.8
88.38875	1.9
89.02430	4.3
99.04520	1.9
101.02444	9.1
113.02447	44.8
119.03492	4.8
136.55910	1.7
143.03450	2.5
145.40115	2.2
146.66275	2.1
161.04541	22.3
173.04567	10.3
233.06717	9.8
262.45944	2.4
270.12415	2.8
283.09769	4.0
294.09177	2.8
295.09882	2.8
296.10629	3.0
298.12268	3.2
309.11395	2.2
311.09305	74.5
325.11102	2.7
326.11642	100.0
341.13980	94.8
391.33365	2.1
578.32562	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79461	1.2
52.72521	1.1
59.83974	1.2
60.97667	1.3
61.98831	9.2
73.38894	1.8
76.21736	1.5
96.00905	14.6
98.02489	15.5
109.01702	2.3
110.02450	2.0
113.03559	12.6
116.05054	2.0
118.06625	2.5
119.04990	6.3
119.69074	1.5
121.82462	1.5
129.10313	2.3
133.05304	2.1
134.06108	19.7
150.21901	1.7
155.08252	24.3
163.04013	6.2
180.06654	27.5
183.18982	1.5
187.05115	6.7
187.08807	5.7
187.84508	1.5
188.07242	12.7
193.08614	6.4
208.11049	1.8
213.06770	6.4
215.08307	6.9
233.09398	7.4
255.15050	7.8
260.05658	3.6
277.08301	2.8
282.16165	2.0
283.14471	2.9
284.14017	15.5
299.65686	1.9
300.17230	10.4
301.14545	3.1
344.16141	5.9
397.18793	6.7
441.18079	6.2
458.72238	2.0
525.23639	2.0
569.07471	2.0
578.25897	3.5
604.24573	16.5
605.22980	3.1
622.25336	100.0
622.35480	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12071	0.8
59.01387	11.8
65.52017	0.8
65.93452	0.9
71.01391	6.0
72.04528	1.6
73.02959	3.5
78.72287	0.9
78.95908	6.5
89.02442	4.0
99.04512	1.2
101.02435	1.8
101.06090	5.8
108.08162	1.4
109.06595	4.8
109.54491	1.0
113.02412	1.1
113.04581	0.9
115.04018	12.8
119.03494	1.0
145.05070	17.8
152.99612	2.3
156.54433	0.9
188.09253	11.6
225.22270	18.2
241.01355	1.0
244.95044	1.2
253.21701	3.9
270.24475	2.0
271.22803	4.5
296.25903	1.6
312.25525	1.1
326.27026	9.3
428.44833	1.1
442.31686	12.0
458.80847	1.2
604.37048	2.0
622.38361	100.0
637.25635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1625
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
54.04667	0.8
59.01387	14.4
70.18932	1.1
71.01366	6.4
72.99304	43.9
73.02947	3.6
85.02936	2.1
89.02444	1.6
89.55615	1.0
101.02412	6.3
105.01927	1.2
113.02434	4.7
117.57946	1.2
123.04501	16.1
134.03775	1.4
135.04529	18.5
151.04021	1.4
160.01596	1.4
161.02452	22.0
167.27371	1.1
175.04007	22.8
179.03503	51.3
193.05025	7.0
197.04578	78.1
199.37021	1.1
211.06165	11.9
263.30963	1.1
263.33813	1.2
323.07733	5.6
337.09229	7.0
359.09882	2.3
442.57764	1.2
519.28345	11.5
535.14429	14.4
537.28949	5.1
579.30328	10.3
623.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91252	1.2
59.01391	3.2
69.35918	1.4
71.01390	2.0
75.00867	6.3
79.50554	1.6
85.86952	1.3
86.77540	1.4
89.02440	3.6
93.69356	1.4
109.01929	1.4
119.03596	1.8
119.05018	29.5
135.02995	52.1
135.04521	19.7
161.02428	19.5
162.19987	1.5
163.04015	100.0
177.05516	10.0
179.03502	56.0
191.05627	44.6
221.04591	23.5
225.02322	1.5
251.05647	8.7
281.06674	69.3
341.08813	59.1
503.39630	1.6
542.33044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24107	0.9
51.46825	0.7
55.24648	0.7
71.05017	1.3
75.64545	0.8
92.23039	1.1
109.85355	1.1
124.98763	1.1
125.02395	1.1
127.03999	3.9
145.06587	3.6
147.08133	1.3
151.04012	1.0
152.99562	1.6
157.06464	1.2
173.06053	10.1
177.01907	1.2
179.03528	1.0
237.09372	1.3
239.07239	1.9
239.10756	1.6
241.08676	4.7
243.06609	13.6
245.08195	6.3
255.10274	4.2
257.08185	15.5
257.11685	2.8
259.09787	3.3
281.08261	24.1
283.09753	30.0
284.06866	1.6
299.09268	100.0
301.10837	56.0
411.79135	1.0
566.74133	1.1
623.19000	47.6
632.04517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.2
63.46902	2.4
68.79265	2.3
69.03456	3.4
70.02972	3.6
71.01375	29.2
72.99290	2.3
86.02473	100.0
87.00874	9.8
92.95885	2.0
96.04552	25.7
96.96008	15.9
98.02485	28.4
107.71375	2.8
112.04023	16.0
114.02003	5.2
114.05569	7.7
122.02435	3.2
132.79758	2.4
140.03549	35.6
153.00168	10.6
154.00993	3.5
158.04584	32.6
162.05606	9.5
166.01404	14.5
166.08701	21.1
167.01675	3.9
177.07999	2.9
184.02467	16.6
196.04381	14.3
197.05170	22.5
202.03610	49.8
211.06738	68.7
212.07527	68.3
226.09116	26.5
313.85782	2.3
361.13602	19.8
376.15955	23.8
420.14944	92.1
490.83914	2.2
507.18237	17.5
605.18719	15.4
623.19092	28.3
647.32501	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
61.98834	100.0
71.01383	1.7
71.72174	0.7
75.00862	0.9
78.95918	3.6
80.96526	3.2
101.02458	1.1
129.81044	0.9
134.97752	0.9
152.99591	3.3
161.02406	1.6
162.59511	0.9
164.03555	0.9
164.04753	6.7
185.11868	1.0
205.05042	1.5
223.06104	6.5
225.00656	1.2
241.01236	3.4
255.16823	0.7
349.66418	0.8
504.19791	3.2
579.33441	3.2
587.23547	4.2
623.24261	18.5
623.32916	1.5
642.80353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92988	0.7
59.01380	30.8
71.01389	6.6
85.02947	5.5
89.02428	6.3
99.00865	7.7
101.02442	4.4
107.76141	1.0
113.02443	17.0
125.02512	1.1
131.03462	1.0
147.04517	3.5
149.02440	6.8
152.88393	0.9
164.04793	44.1
167.53897	1.0
175.04068	3.4
179.07137	16.8
190.02705	5.2
191.03609	1.0
191.05630	1.0
205.05057	24.4
206.05911	1.3
207.02850	1.0
208.03734	4.6
221.08246	3.9
223.06125	100.0
226.26233	1.1
236.06889	6.0
251.09276	9.8
265.07227	12.2
295.08234	30.2
299.01956	1.7
311.09171	6.6
314.04456	6.7
324.09875	1.1
326.11597	17.0
337.09247	5.7
341.13937	23.8
355.10385	18.5
365.02844	0.9
374.49576	1.1
397.11365	19.5
439.12427	11.2
439.17682	1.0
461.17734	1.1
499.14609	21.0
517.15582	6.0
623.15472	1.1
623.22998	4.0
637.68268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67154	1.5
59.01379	27.7
71.01379	25.1
72.99298	31.4
73.02947	2.7
83.42097	1.7
84.62321	1.6
85.02949	8.8
86.02460	4.6
89.02441	32.4
92.23087	2.5
96.95985	4.1
99.00879	30.2
101.02435	13.9
113.02429	27.6
119.03489	9.3
123.04512	2.4
131.03487	3.6
134.03741	36.1
135.04520	33.9
140.03506	3.3
143.03479	2.2
149.04533	4.6
149.06046	13.8
153.05576	12.6
160.01691	18.0
161.04544	4.2
175.04005	46.2
178.02745	17.1
181.65440	2.0
191.05626	14.4
193.05058	41.0
205.08704	2.6
208.07329	2.4
211.06656	2.1
212.07541	3.0
289.85135	1.9
311.87463	2.2
315.10873	23.0
329.14023	2.7
345.13391	1.9
389.15955	3.6
429.14120	56.2
447.15118	73.4
623.19873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07410	0.8
63.79274	0.8
72.99301	29.9
79.84195	1.0
103.91676	0.9
111.82362	0.9
123.04510	6.1
135.04524	6.3
151.03987	1.5
179.03499	31.5
197.04573	100.0
359.09872	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42669	0.8
53.77499	0.8
66.86411	0.9
72.99302	21.6
74.69747	1.0
88.41891	1.0
115.04029	7.7
123.04520	4.7
135.04524	6.0
138.03189	1.9
153.05577	1.6
179.03511	28.9
182.02251	5.8
197.04562	100.0
263.07623	4.9
298.15881	1.2
298.27969	1.2
315.07083	1.7
359.09894	59.0
377.98694	1.2
434.16925	1.2
531.39813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04013	0.5
72.99302	39.7
82.26367	0.5
95.06958	0.7
97.57632	0.5
109.02899	0.6
123.04508	17.9
135.04520	22.5
138.03294	0.7
153.05531	0.9
156.08612	0.7
168.12289	0.6
179.03503	41.9
180.81754	0.6
197.04556	100.0
217.85597	0.6
359.09875	12.2
495.43936	0.7
623.21857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
63.18645	0.4
66.59330	0.4
68.49547	0.4
71.01382	0.5
72.99310	2.9
73.32518	0.4
74.65579	0.4
89.02443	1.0
93.03459	2.2
94.43706	0.5
103.89758	0.5
119.05011	3.4
135.04521	6.1
163.04008	17.9
163.05333	1.0
164.69437	0.5
170.05914	0.5
174.45551	0.5
179.03584	0.8
181.05070	100.0
197.04578	0.7
197.54066	0.5
281.11441	0.7
313.92737	0.5
343.10355	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08617	0.9
54.00884	1.0
59.01380	31.6
63.13973	1.0
75.59315	0.9
76.25849	1.1
81.76198	0.9
83.53685	0.9
91.04656	1.0
92.14245	1.1
101.02429	1.1
102.28560	1.1
111.00867	1.4
143.77080	1.0
144.39114	1.1
153.05550	1.8
179.07181	2.3
181.05084	5.0
181.98744	1.1
203.07059	1.2
205.04958	4.7
205.08705	4.5
220.07364	10.3
222.56291	1.1
223.06062	1.4
235.09691	10.2
243.11310	1.1
326.11688	1.6
329.14194	1.2
341.10263	1.5
341.14041	1.6
351.43628	1.2
356.12607	2.4
371.11420	13.9
386.13754	10.6
389.16153	4.0
401.16144	9.6
408.61224	1.4
431.13556	5.3
446.16223	2.1
461.18243	100.0
550.29602	1.3
612.92322	1.4
631.04358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36618	1.0
59.01383	100.0
59.58892	1.1
71.01392	17.3
73.02943	3.1
83.01390	1.5
85.02946	8.2
85.93824	1.1
89.02452	2.3
99.00883	2.4
101.02440	8.1
113.02461	8.1
161.04547	25.1
197.32500	1.4
205.05156	1.6
262.90408	1.2
623.24316	7.3
623.33557	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79696	0.9
59.01384	100.0
61.98848	2.4
63.95342	1.0
67.68256	1.2
71.01387	17.8
71.78920	1.1
72.99894	1.2
73.02945	6.4
80.96505	8.4
85.02940	8.0
87.00892	1.2
89.02444	2.7
90.31258	1.3
94.98112	1.5
99.00918	1.4
101.02444	13.1
107.53701	1.3
113.02466	12.6
119.05010	1.5
125.02477	1.4
134.97665	1.4
148.99086	1.6
152.98593	1.3
159.03024	2.1
161.04565	21.1
163.04047	6.1
164.98630	2.1
179.03467	1.3
189.05574	5.2
214.48981	1.4
225.00812	6.2
244.17642	1.3
261.07700	4.8
266.46933	1.4
283.06039	1.7
300.09818	1.7
335.63052	1.2
397.47449	1.5
401.16525	1.5
443.76352	1.6
525.19604	1.8
579.33966	2.9
623.23682	29.9
623.32532	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24189	0.9
59.01381	78.3
66.82336	1.0
71.01376	1.3
75.43738	0.8
75.87035	1.0
85.02932	1.1
87.00852	1.2
87.27081	0.9
89.02441	1.0
116.92918	1.2
134.03752	1.4
160.01672	5.4
161.04614	1.3
164.04779	1.9
174.38998	1.1
175.04021	9.8
177.05577	1.5
181.05061	1.2
193.05092	1.0
205.05096	1.2
223.06088	4.2
225.00670	1.4
283.09607	1.4
298.12137	2.2
301.70578	1.0
310.12195	1.1
311.09293	26.8
311.12793	1.6
325.10870	3.8
326.11621	58.5
326.15506	2.2
341.13962	100.0
418.51163	1.3
423.08459	1.2
623.23877	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2398
Annotation	Cannabisin G
Peak:m/z	Relative Intensity
58.37481	1.8
59.01384	100.0
71.01384	15.4
72.62812	2.1
73.02979	2.6
77.23356	1.9
77.41222	1.9
85.02944	12.2
88.50390	2.2
89.02471	2.3
101.02446	14.2
108.02184	15.6
109.03020	2.4
113.02451	10.7
123.04515	2.2
135.69044	2.1
161.04565	23.5
162.62486	2.3
198.93842	2.1
264.07892	4.0
297.10400	2.3
298.10858	3.0
342.75977	2.9
365.42389	2.5
402.13461	19.9
404.23093	2.8
413.12744	4.0
432.18259	11.2
460.17557	4.8
471.15549	3.4
623.23926	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16806	0.5
50.52254	0.4
55.01869	0.5
58.47136	0.5
59.01384	100.0
62.46645	0.5
71.01377	18.2
73.02944	4.0
74.48142	0.6
78.95900	1.1
81.02278	0.7
83.01379	2.2
85.02950	9.2
89.02432	3.0
90.21039	0.6
95.01365	0.9
99.00854	2.6
101.02441	13.0
101.47463	0.6
108.02158	5.9
109.02937	2.5
113.01758	0.7
113.02448	9.9
123.04512	4.5
146.03749	1.4
149.04832	0.6
159.02971	2.4
159.04486	2.7
161.04562	24.2
161.05917	1.2
179.05511	0.6
189.04344	0.9
202.05095	3.4
214.05130	3.2
216.06647	2.9
253.22156	0.7
266.05957	0.7
267.06549	3.2
282.08795	1.1
283.09747	2.8
285.07883	0.7
297.11478	1.0
300.10043	0.9
309.10101	1.0
315.12335	0.8
321.10080	1.1
322.10880	10.9
323.11459	0.7
324.08731	2.3
326.10132	2.0
336.12366	4.6
338.10446	0.9
339.11224	0.8
365.11618	1.0
371.14908	1.1
400.39572	0.7
401.15814	1.2
425.50424	0.7
430.13040	0.8
444.14615	1.4
445.15326	2.2
460.17725	10.6
499.18448	1.0
521.72906	0.8
563.21539	2.2
623.23981	32.7
623.32568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2407
Annotation	Cannabisin G
Peak:m/z	Relative Intensity
54.84414	1.0
64.29036	0.9
70.75980	1.0
149.04823	2.7
168.69206	1.3
223.53470	1.4
249.05745	1.1
251.03470	1.7
267.06656	19.9
268.07626	1.9
270.11328	2.0
281.08136	1.7
282.09018	44.6
283.09897	12.6
293.04541	1.9
296.10635	20.9
297.11349	40.5
308.07132	1.3
338.10333	5.2
352.08105	1.7
352.12088	1.6
370.96478	1.2
430.13025	49.8
445.15384	34.0
460.17737	34.4
486.15237	1.6
623.24066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.4
61.98806	0.7
71.01370	1.0
85.41044	0.6
101.02421	1.0
108.02178	1.5
109.02959	5.4
117.14697	0.6
123.04473	1.0
124.16326	0.6
158.03729	0.7
159.04478	3.8
173.06026	2.8
190.02696	0.8
205.05099	7.5
214.05139	5.8
214.55188	0.7
215.06050	0.9
216.06760	1.2
219.34209	0.8
221.13820	0.8
223.06029	1.3
250.84560	0.8
264.07813	1.0
267.06635	8.3
268.07504	4.9
280.07346	2.8
281.08218	11.4
282.09018	11.1
283.09744	14.9
295.09775	1.4
296.10605	2.7
297.11270	4.9
307.38931	0.8
321.10220	1.0
322.10880	8.8
326.10306	2.9
335.11365	1.1
336.08762	2.6
336.12350	14.7
350.13910	1.2
428.11465	2.7
429.12326	1.3
430.13080	8.1
443.13644	5.6
444.14581	29.1
444.20581	1.5
445.15448	7.8
458.16257	4.6
460.17664	14.3
535.21710	2.8
603.39594	0.7
623.24023	100.0
644.95349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68384	0.9
57.83889	1.0
60.06902	1.0
60.81675	1.3
69.99615	1.0
78.95905	1.8
82.88559	1.0
96.95988	1.1
137.09752	1.4
151.03851	1.1
152.99588	2.8
166.58844	1.3
175.23911	1.2
204.06479	1.4
223.13434	4.8
225.01413	1.6
267.06644	7.5
281.08215	1.7
282.09027	17.5
283.09766	5.9
293.04575	1.5
295.09818	1.7
296.10605	28.0
297.11325	18.7
302.31027	1.5
307.72913	1.6
310.12170	8.4
326.10410	5.1
338.10507	6.0
352.11887	1.7
374.36859	1.2
430.13083	23.1
444.14600	1.9
445.15323	16.8
460.17682	25.8
477.20575	1.3
501.16699	6.9
530.45508	1.3
623.24182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50550	0.8
57.26659	0.8
65.03961	7.2
71.05016	5.5
72.31062	0.8
78.95904	19.1
96.96952	5.7
97.06570	13.1
104.56548	0.9
119.08651	1.1
121.06570	18.3
125.09708	15.1
128.56258	1.1
139.09833	1.1
152.99586	29.7
185.11812	20.9
209.11800	10.0
211.13435	8.6
223.00073	1.4
235.13397	16.3
241.01196	21.1
249.15015	9.3
252.67012	1.2
256.49838	1.1
259.02213	1.0
289.18066	1.1
307.19098	2.0
307.83417	1.0
315.05011	1.5
350.83963	1.2
623.24780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88766	0.7
59.01372	4.4
65.03964	7.2
66.90623	0.7
71.05022	6.3
75.40755	0.7
78.95891	16.4
79.54038	0.8
91.72102	0.9
96.96957	3.7
97.06581	14.9
119.08628	1.4
121.06592	19.5
123.56989	0.7
125.09707	13.6
133.73914	0.8
144.89908	0.9
152.99583	35.4
154.18660	0.9
157.60873	0.8
169.92671	0.8
185.11824	20.1
195.99585	1.0
209.11850	9.2
211.13394	9.5
217.12389	0.9
223.00060	6.9
235.13405	18.1
241.01180	20.2
242.25854	1.0
259.02258	1.0
289.18027	1.2
315.04907	1.2
623.24805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75392	1.6
59.01377	14.5
65.22198	1.9
73.02934	12.3
75.47831	2.1
84.13827	2.0
95.09779	2.1
106.06619	2.7
117.01913	32.4
137.06084	11.6
140.93185	2.0
160.04002	2.5
171.10234	17.6
197.11871	3.0
201.11400	3.7
209.11823	11.1
211.13423	2.9
229.14429	2.4
277.09985	2.5
277.21594	2.3
279.23355	9.9
293.12845	2.4
293.21057	3.8
295.22781	8.7
309.20676	3.6
327.21875	12.2
329.23416	3.5
343.21371	9.0
420.20731	4.5
448.20172	13.9
474.20691	2.3
489.20547	3.2
491.20724	16.6
503.24390	4.3
523.23492	12.9
547.22369	2.5
591.22491	74.6
623.25244	100.0
623.45490	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69218	1.1
103.91803	1.2
106.06619	1.3
121.03869	1.3
199.78436	1.2
203.37650	1.5
207.96388	1.6
215.06993	1.4
419.22525	16.3
420.23318	2.2
432.23386	13.9
433.23941	8.9
436.10767	1.4
443.22760	1.8
444.23395	5.2
447.25751	35.6
448.26526	4.6
457.23926	2.7
460.22986	16.6
461.23495	8.6
474.19974	13.2
475.25159	23.9
476.18582	8.9
476.25940	8.8
477.19476	2.5
488.22189	8.0
490.20047	10.1
491.20917	35.2
503.24277	11.5
505.22891	1.6
519.24298	2.4
547.23645	59.7
563.23114	2.9
564.23822	100.0
579.26300	10.8
591.22437	5.7
623.25110	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76018	6.4
66.71447	5.9
105.01918	16.1
115.92062	12.4
116.92845	13.8
138.22878	7.1
281.02209	7.2
353.90488	7.2
356.05127	6.3
420.12668	7.5
457.24133	11.1
459.22119	27.2
473.23618	10.7
475.25446	13.8
482.09140	7.6
487.21216	11.3
488.22287	32.6
503.24652	100.0
529.22522	14.2
546.23389	7.3
547.23767	24.6
563.22931	7.6
579.26465	34.3
605.24182	27.7
623.25275	40.0
623.44922	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18501	0.9
59.01384	68.7
71.01382	48.9
71.23598	1.1
72.67403	1.0
73.02941	6.1
74.66376	0.9
82.27916	0.9
83.01400	2.0
85.02939	14.9
89.02442	58.0
91.26041	1.1
95.01382	4.5
99.00861	1.8
101.02438	39.8
113.02445	26.7
117.05472	1.2
119.03499	21.8
131.03439	1.7
136.01674	2.6
143.03508	2.2
145.08693	7.4
146.14236	1.1
161.04555	15.4
179.05688	1.5
189.04990	1.1
205.26625	1.1
261.09891	8.3
263.11386	100.0
279.10852	21.8
306.36591	1.2
359.13489	13.2
377.14529	13.9
421.83905	1.3
531.23376	1.2
623.25952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
57.06148	1.3
59.01381	68.5
62.87188	1.0
65.19197	1.1
70.15314	1.0
71.01378	50.9
73.02946	8.1
77.16744	1.2
79.95712	1.0
83.01389	1.4
85.02928	14.4
89.02438	69.1
95.01366	5.2
96.96009	26.7
98.95583	7.9
98.96445	2.0
99.00877	1.9
101.02441	46.9
108.60794	1.4
113.02449	32.9
117.05576	2.1
117.11235	1.3
119.03485	25.5
121.82999	1.0
122.30556	1.1
131.03519	1.5
143.03522	2.1
161.04562	14.5
179.05699	2.1
261.09753	9.5
263.11374	100.0
279.10880	20.7
348.92844	1.4
359.13486	14.7
377.14575	14.3
467.55875	1.5
504.64191	1.6
623.28845	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	85.6
71.01374	71.4
73.02948	13.3
75.00881	4.0
76.73515	2.3
83.01402	5.7
83.89436	2.9
85.02924	24.3
87.00862	3.3
89.02438	20.6
95.01422	3.1
99.00873	5.4
101.02444	57.0
105.01328	2.4
105.01925	21.9
111.00848	2.6
111.11429	2.5
113.02433	37.5
115.04019	11.9
121.02953	4.3
137.02452	11.0
143.03529	2.6
145.02943	6.5
151.04027	2.8
161.04601	3.3
163.03975	4.7
164.04686	6.1
165.01949	3.5
179.03575	3.2
180.04230	5.5
181.05109	13.7
182.05392	5.0
183.05498	3.8
189.11264	4.8
191.05533	3.7
193.05052	2.7
195.06696	5.3
221.08191	4.6
223.06174	5.1
225.00870	2.5
240.92885	2.6
253.14511	5.5
265.07193	18.3
268.64322	2.7
292.16409	3.4
299.18851	3.0
313.81134	2.7
318.30838	3.1
409.15292	5.8
417.15686	4.1
418.16211	3.9
503.19586	6.2
519.28168	79.0
535.39270	3.4
537.29163	36.7
563.30493	3.9
575.21466	12.9
577.28491	4.4
579.30249	100.0
623.22284	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97773	0.8
59.01103	1.3
59.01381	35.0
61.17413	1.0
71.01376	22.1
72.99294	5.3
72.99677	1.0
73.02930	6.3
80.33942	0.7
83.01369	3.2
85.02943	9.6
87.00866	10.7
89.02434	27.1
92.22430	0.9
93.12048	0.8
95.01358	1.3
96.95998	5.4
99.00852	2.1
101.02440	30.4
113.02445	15.2
119.03484	11.2
131.03496	3.5
135.04506	3.7
149.04575	1.0
161.02469	1.3
161.04550	5.3
164.04709	1.1
179.03462	2.0
179.05669	0.9
182.05830	1.2
187.09781	1.1
201.97456	1.0
221.06677	5.9
263.11475	0.9
406.40991	1.1
417.25043	1.3
461.24063	1.4
573.12067	1.0
623.20007	10.0
623.29248	100.0
644.62683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.8
67.43384	0.8
71.01377	24.9
72.99303	1.9
73.02939	6.9
79.91167	0.8
83.01387	2.2
84.75704	1.2
85.02938	11.4
87.00876	5.2
89.02434	23.2
91.65131	0.9
92.23083	1.1
95.01365	1.5
97.24452	0.9
99.00851	2.0
101.02442	29.2
113.02435	13.1
119.03485	8.9
125.78868	0.9
131.03543	1.2
137.02422	1.7
143.03513	1.1
159.02934	1.3
161.04518	5.3
190.02750	1.2
191.03188	1.5
205.05074	1.3
263.11359	2.3
298.19757	1.0
417.24826	1.7
556.92896	1.1
623.29431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3445
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
58.72665	2.4
72.99301	76.6
78.95915	4.7
91.37902	2.3
104.31160	2.5
114.20705	2.3
123.04525	18.3
125.09701	9.9
126.10036	3.1
135.04498	41.1
152.99576	3.5
160.14935	2.3
179.03503	82.2
187.09700	4.5
197.04561	100.0
255.23282	3.0
263.67145	2.6
282.33228	2.6
347.12405	2.4
423.04947	2.5
425.68427	2.5
457.38315	2.5
623.34583	92.2
623.45502	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84739	1.3
73.68251	1.3
78.95903	100.0
78.96368	3.2
96.96941	5.8
101.27342	1.4
107.23167	1.4
133.86949	1.4
134.13138	1.5
141.24535	1.5
152.99597	20.7
156.07059	1.4
161.24440	1.3
162.85844	1.3
169.12326	2.5
170.83057	1.5
171.10262	15.9
211.13330	1.6
231.12538	1.6
236.01875	1.3
255.23325	41.4
336.87228	2.2
352.14987	1.6
493.72958	1.5
623.35754	74.1
623.45300	10.3
646.91125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73248	1.2
59.01397	1.6
61.98824	2.9
76.33130	1.5
111.08158	1.4
169.19460	1.6
171.10233	5.8
181.12276	1.8
183.13982	1.8
195.13908	2.1
197.11864	15.0
207.13913	2.2
209.15489	13.4
211.13434	9.4
223.16991	9.7
225.14963	10.6
233.15443	5.5
239.16708	2.1
251.16554	17.1
264.32913	1.3
277.21744	65.4
289.18289	1.6
291.19733	12.2
309.20752	58.1
335.89789	1.4
344.82996	1.5
446.04056	1.5
587.43286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10690	2.5
61.98823	3.7
65.40788	2.8
71.19937	2.3
71.65291	2.8
80.32874	2.8
90.25197	2.6
97.02927	2.9
103.22634	2.5
116.79995	2.7
118.48045	2.7
166.06992	2.8
171.10286	6.0
172.50470	3.0
183.13890	5.2
277.21762	49.1
291.19595	12.7
305.35168	2.9
309.20984	21.2
327.21707	3.5
330.71774	3.3
587.43225	100.0
623.24945	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.7
61.98845	1.1
62.50764	0.9
71.01387	8.0
79.89542	1.0
87.79355	1.0
89.02433	10.9
94.98077	1.9
101.02451	10.8
113.02415	4.9
119.03465	4.5
129.21825	1.0
134.67809	1.1
142.43440	1.1
187.44087	1.1
245.85278	1.1
345.31949	1.9
425.34406	1.9
443.35327	19.0
461.36459	5.8
547.23712	1.2
549.21814	1.4
587.43353	1.8
591.22803	1.3
623.25452	3.3
623.41724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01384	21.4
60.99282	1.2
64.66154	0.6
71.01383	11.1
71.05019	0.6
78.22280	0.7
83.05019	1.0
89.02437	19.1
89.29326	0.6
101.02449	6.3
108.35676	0.7
109.02946	1.3
109.06577	2.3
113.02434	4.4
118.51115	0.6
119.03486	8.8
119.67711	0.6
121.49294	0.6
143.03510	1.2
161.04547	2.6
179.05624	14.4
310.04636	0.8
325.07275	1.1
343.30084	2.8
345.31674	8.1
357.31946	0.8
357.65561	0.6
379.33340	0.9
387.47961	0.7
399.36081	7.8
425.34283	3.3
443.35355	100.0
509.05698	0.6
544.18604	0.9
623.42511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60398	2.1
71.06685	2.2
75.67976	2.0
78.95906	3.0
83.66364	1.9
85.31902	2.1
107.54605	2.2
113.09688	2.4
116.32012	2.4
129.09210	4.6
169.88074	2.2
171.10345	3.0
181.12364	3.0
197.11838	9.5
199.13396	9.7
211.13435	19.9
293.21213	16.9
299.05460	2.5
311.22339	100.0
344.34906	2.6
570.92395	3.0
623.35834	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03975	1.0
59.78181	1.0
64.42007	1.1
67.89424	1.0
89.61737	1.0
92.22488	1.3
97.06609	1.3
121.85958	1.2
123.08179	1.5
125.09708	9.2
140.84207	1.3
149.09737	2.3
165.13049	1.4
171.10239	2.0
185.11871	9.9
197.11850	2.9
213.29066	1.4
235.12125	1.3
293.21255	100.0
311.22354	20.0
446.21417	10.2
461.23505	12.2
515.77765	1.3
549.22369	1.4
579.26483	1.5
611.70630	1.2
623.45685	8.6
627.39795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96565	0.4
53.66478	0.5
54.70115	0.5
59.01382	11.8
69.95025	0.5
70.22954	0.5
78.09083	0.4
95.04972	0.6
112.07671	8.9
113.06050	2.0
125.74905	0.6
129.10313	4.6
130.08739	11.3
143.11491	0.6
176.92525	0.5
187.27191	0.7
207.15033	4.5
208.13530	0.8
224.17734	3.8
225.16087	22.3
242.18826	0.6
300.89270	0.6
320.23502	3.8
337.26196	2.8
338.24515	3.4
433.31836	1.0
445.81918	0.5
450.34549	5.4
504.12784	0.5
546.40369	11.1
564.41364	100.0
624.43005	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30645	0.3
59.01379	8.3
59.15833	0.4
62.39045	0.4
77.63985	0.4
79.29551	0.4
95.05027	0.4
112.07682	5.3
113.06053	2.3
129.10362	3.4
130.08720	6.3
180.72102	0.6
205.17200	0.5
207.15088	3.2
208.13493	0.5
224.17747	2.5
225.16081	15.9
285.92554	0.5
320.23599	3.6
337.26083	2.8
338.24597	2.8
357.51932	0.5
426.10202	0.5
426.21579	0.5
433.31961	1.0
450.34256	3.1
546.40295	7.5
564.41382	100.0
624.43433	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49924	1.9
72.40156	2.3
97.01696	2.0
120.00046	2.4
130.54701	2.4
139.11302	20.6
140.32045	2.4
153.12836	13.2
167.14388	14.3
183.10297	12.0
197.11800	14.1
200.12933	20.9
200.60172	2.3
211.13396	28.8
214.14528	21.1
215.12881	4.7
228.16042	26.9
229.14415	14.0
309.20691	3.0
328.08725	2.4
395.29245	13.5
409.30588	11.3
423.32141	8.5
624.46082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57364	0.8
58.64738	0.8
62.02448	0.9
62.12048	0.8
63.37550	0.8
78.30590	0.8
79.19897	0.9
89.68880	0.8
95.51127	0.9
97.06587	0.9
99.72665	0.9
111.08167	6.3
113.09731	1.3
125.09698	11.3
139.11273	2.0
167.14384	10.7
171.10373	1.8
172.09804	3.4
181.15970	13.0
183.10133	1.3
186.11386	7.1
195.10306	1.7
195.17552	2.1
200.12932	2.1
211.13402	19.9
225.14972	26.8
228.16039	23.9
229.14418	12.5
239.16519	5.4
242.17618	22.8
243.16054	5.5
256.19150	1.9
305.17670	1.1
306.89005	0.9
309.20813	4.2
320.25601	0.9
364.25043	1.3
367.26202	4.9
378.26599	1.3
381.27698	13.0
395.29236	12.6
423.32483	1.5
437.33929	3.5
493.89551	1.0
624.46045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83599	0.3
57.78122	0.3
81.66406	0.3
92.57922	0.3
97.52303	0.4
151.00374	5.8
164.57889	0.3
177.00455	0.5
178.99876	4.2
243.03053	1.7
254.02223	1.4
255.02968	7.5
271.02509	17.5
272.03287	1.8
296.02649	0.4
299.01978	1.9
300.02774	100.0
301.03555	15.4
343.04453	0.5
448.94269	0.4
463.08954	9.0
542.25989	0.4
625.14191	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
83.09767	0.5
105.01913	3.0
113.02441	7.1
116.92837	1.2
116.99164	0.6
119.04989	0.6
121.02944	1.0
121.24515	0.6
133.87836	0.6
151.00331	5.3
153.20512	0.6
163.03996	2.4
178.99832	4.3
182.99696	1.1
194.18958	0.7
212.08269	0.7
243.02914	0.7
250.03682	0.6
255.03008	9.1
271.02478	16.9
272.03143	1.0
273.03946	1.1
299.01904	2.6
300.02780	100.0
301.03546	17.0
430.32062	0.8
439.41083	0.7
463.08951	9.5
470.05399	0.6
625.14136	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83931	0.3
56.94347	0.3
59.01382	0.5
60.54527	0.3
63.79720	0.3
71.01374	1.4
73.02942	0.5
85.02967	0.5
93.03442	21.9
101.02407	0.7
104.06041	0.3
113.02408	0.7
128.90645	0.3
129.05548	0.3
137.02443	100.0
138.21770	0.3
179.03560	0.7
180.06677	0.6
191.05594	1.3
217.03529	0.8
244.01593	0.4
286.50232	0.4
299.07755	29.8
327.30954	0.3
334.21094	0.4
341.84814	0.5
479.53046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	1.8
73.02924	0.5
85.02930	0.5
89.02490	0.2
93.03441	20.0
95.27381	0.2
99.00893	0.3
101.02435	1.2
113.02438	1.1
119.05022	1.1
131.77766	0.2
137.02437	100.0
161.04616	0.3
163.04018	2.8
299.07745	28.7
403.99896	0.3
625.27240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90569	0.5
55.78936	0.6
59.01392	1.2
72.99306	18.4
81.03459	1.3
83.05025	19.0
96.66066	0.6
109.02906	0.7
111.04511	20.1
115.04002	10.9
127.04011	62.0
129.05585	8.0
137.02489	5.6
151.04012	1.4
155.03511	48.0
163.04042	1.2
165.05530	0.9
171.02963	5.5
177.99461	0.7
189.04039	2.7
199.02515	23.8
199.43678	0.7
204.94943	0.7
217.03549	100.0
219.54114	0.7
306.06995	0.7
316.27591	0.7
625.18213	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96387	0.4
51.96614	0.3
58.55278	0.3
59.01386	0.4
71.01394	1.4
73.02930	0.4
75.56206	0.4
85.02941	0.7
93.03449	20.9
95.76065	0.3
98.51185	0.4
101.02399	0.8
114.77872	0.3
116.81294	0.4
119.05006	0.9
130.45366	0.3
137.02441	100.0
148.22769	0.4
163.04010	2.3
173.33560	0.4
195.33929	0.4
217.03465	0.7
218.42534	0.4
224.61160	0.4
299.07733	29.2
325.09418	0.7
609.65240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27301	0.4
53.47643	0.5
54.96745	0.5
64.72138	0.5
71.05016	0.6
80.60916	0.5
91.41455	0.5
96.54277	0.5
109.02927	1.1
111.02650	0.5
122.03707	0.6
125.06068	1.2
127.03996	9.1
131.05034	0.7
147.08153	2.3
149.06050	2.4
151.03996	2.8
152.04793	2.2
167.03487	1.0
169.05008	0.7
173.06128	4.8
197.09727	1.2
239.10854	4.0
241.08728	9.1
242.09332	1.0
245.08191	11.2
255.10341	5.3
257.11896	4.9
259.09689	3.4
283.09784	51.1
286.08487	3.5
299.02240	0.7
301.10834	100.0
417.54935	0.7
420.17847	0.7
486.77246	0.7
625.20593	39.3
653.66449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09152	3.4
56.91611	3.1
57.17871	3.9
57.38976	3.1
57.44619	3.4
59.01385	5.8
61.27605	3.8
87.00869	5.0
111.00871	4.7
113.02423	5.0
123.04510	6.7
134.03735	5.3
149.06065	21.7
175.03958	27.2
176.04761	33.0
178.02603	6.3
191.07164	61.3
192.04234	4.8
193.05092	49.3
194.05916	4.6
204.74565	4.5
208.03712	5.5
235.06129	100.0
262.62500	4.5
265.07138	16.6
295.08237	52.6
403.13956	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01384	100.0
71.01368	2.5
74.19287	1.8
82.40105	1.7
87.00888	1.8
89.02462	2.4
97.02955	3.5
103.00382	9.4
105.01942	2.1
107.39828	1.5
109.02937	2.6
113.02464	2.2
113.06004	1.9
115.04018	8.6
123.04457	2.5
133.06583	19.1
134.03716	1.7
135.04520	1.9
137.06108	2.4
139.07660	33.1
149.06068	2.7
153.17125	1.7
153.30081	1.8
163.04063	2.3
169.08665	2.5
181.08733	9.4
187.11325	7.3
189.05620	3.6
191.05627	3.6
193.04997	4.1
198.44666	1.7
199.11269	2.8
205.12355	6.7
210.09044	2.6
211.09731	14.8
217.12282	4.1
231.10123	2.2
243.10208	3.9
261.11307	15.4
279.12292	3.9
285.11270	1.9
303.12415	3.0
321.13477	64.2
363.14459	7.9
423.16696	2.5
483.18289	2.1
521.17059	2.5
625.27155	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41005	0.7
53.54129	0.8
57.99177	0.8
59.01386	17.7
61.98837	11.4
71.01388	8.4
72.99303	1.4
85.02935	2.1
87.00845	2.0
89.02457	8.0
97.02921	1.2
101.02438	9.3
101.58450	1.0
113.02422	4.2
115.03956	2.4
119.03429	1.9
119.04993	1.1
133.02844	1.6
134.03752	9.5
136.01620	1.9
147.04437	1.1
149.06020	5.8
150.03198	1.1
160.01656	20.2
161.04503	1.2
164.04707	3.9
165.05377	1.2
175.04007	100.0
177.01936	1.6
179.03389	1.7
179.07088	1.1
183.13832	3.7
190.02750	11.8
192.04205	1.6
193.05075	19.1
197.04465	4.1
205.05077	63.7
223.06117	8.4
246.41095	1.1
305.19003	1.0
439.16083	16.4
522.20776	4.6
527.17291	4.4
537.23596	49.9
625.21216	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2147
Annotation	(3R)-7,2'-Dihydroxy-3',4'-dimethoxyisoflavan 7,2'-O-diglucoside
Peak:m/z	Relative Intensity
52.83351	1.2
53.96548	1.1
59.01380	14.1
71.01378	18.5
73.02935	7.0
83.01369	3.2
83.63194	1.6
85.02956	5.8
89.02443	15.1
93.03406	2.5
101.02437	16.7
113.02443	14.7
119.03466	9.1
123.04509	5.6
135.04529	69.2
140.35454	1.3
153.05589	11.8
161.04588	2.2
165.05568	30.3
179.05757	1.7
179.07115	14.6
181.05133	1.5
191.05627	100.0
195.06522	1.9
207.06631	45.2
219.06790	2.3
297.09879	18.5
315.10880	33.4
351.55194	1.5
417.18591	1.4
463.16153	45.7
498.45361	1.5
599.17682	1.5
625.21442	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24723	0.8
57.20253	0.9
59.01103	1.4
59.01382	35.2
71.01378	19.1
72.99316	1.4
83.01379	1.1
85.02921	2.2
88.33589	1.0
89.02437	21.1
97.02943	1.6
101.02433	17.8
103.68807	1.0
112.93400	1.1
113.02430	11.5
115.04041	7.4
119.03470	6.8
121.03008	1.6
133.02946	6.4
134.03728	6.7
135.04546	1.1
136.01659	6.8
137.02443	4.5
142.22188	1.1
147.04468	1.6
148.05283	5.2
149.06119	1.2
160.01601	5.5
164.04762	6.9
169.58998	1.1
170.78703	1.0
175.03996	39.8
177.01927	4.9
179.03374	1.5
179.07092	2.5
192.04301	9.1
193.05106	10.6
200.08362	2.5
205.05078	1.7
206.05765	1.7
208.03770	5.7
215.10794	5.8
223.06088	6.1
231.48378	1.0
244.07387	7.9
250.04897	1.5
259.09750	24.8
263.09113	1.7
265.07178	4.3
277.10803	1.7
398.09286	1.2
424.13321	1.2
439.10400	1.9
439.16116	40.5
463.16275	8.7
527.17755	4.1
537.19360	10.3
593.62354	1.3
625.21393	100.0
625.29645	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86244	1.1
59.01376	35.2
61.98821	1.4
71.01373	19.9
72.99297	2.4
73.02930	1.5
75.00846	1.6
84.72588	1.2
85.02953	1.6
87.00858	1.7
89.02438	15.1
95.83439	1.3
101.02423	17.0
113.02409	8.7
115.03997	9.5
119.03482	7.2
133.02940	5.2
134.03691	3.0
136.01642	5.7
139.71631	1.4
148.05328	2.2
151.03969	1.8
153.05569	2.1
160.01665	6.4
175.03993	32.2
177.01923	2.7
192.04276	3.1
193.05037	12.3
197.04626	1.9
200.08412	1.7
205.05000	1.5
244.07382	2.7
259.09760	22.2
291.08578	2.5
439.16226	24.0
463.25336	2.0
527.17426	3.2
537.19623	2.9
625.21356	100.0
625.30487	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.251
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01379	29.8
71.01357	2.6
77.72834	1.6
78.95918	3.8
81.33757	1.7
85.02982	2.8
87.15894	1.5
91.50916	1.5
92.95605	1.6
96.95951	2.0
99.00871	2.2
101.02430	6.3
111.00885	11.6
113.02387	3.1
137.09668	10.3
146.09523	2.1
152.99585	10.1
161.04585	2.4
161.09666	1.7
171.10258	3.6
179.10828	2.4
181.08688	9.3
181.10162	1.8
197.11858	12.5
241.01152	3.2
241.10854	2.6
262.99634	1.8
291.19781	2.2
353.14679	2.0
428.58310	2.2
625.25311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70860	0.7
55.55234	0.6
60.80652	0.6
73.49214	0.7
78.95900	17.4
83.05010	4.3
87.06006	0.7
96.95959	0.7
96.96931	4.4
108.02117	0.9
109.02924	0.8
137.09746	9.2
139.11302	1.1
151.11298	0.9
152.01172	1.3
152.99580	50.6
153.01952	3.2
155.10797	9.0
171.00641	1.7
171.10255	9.6
193.12323	4.7
209.11868	13.3
221.08218	1.2
223.00157	5.2
240.98923	1.1
241.01208	20.9
247.20705	1.6
291.19751	16.6
303.42429	0.8
309.20773	23.4
315.04477	2.0
315.07806	1.8
384.89615	0.7
608.84912	0.8
625.26379	100.0
647.49182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48082	0.7
59.01385	0.8
71.01334	0.8
78.95897	16.6
78.96313	1.4
79.08429	0.7
80.62904	0.8
83.01355	1.1
83.05017	1.1
85.71881	0.7
96.96951	4.9
111.26550	0.9
111.76866	0.9
125.09673	1.5
137.09677	1.4
152.99586	38.9
165.12813	5.0
171.10233	3.9
174.85391	1.0
209.11845	12.2
211.47522	1.0
223.00172	5.5
241.01193	21.7
247.20683	5.5
259.02304	1.2
291.19659	19.7
309.20749	11.2
315.04678	1.6
316.41049	0.9
519.57703	1.0
625.26361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88350	1.2
68.90242	1.3
70.55824	0.9
78.95895	24.4
83.05000	5.0
84.52487	1.1
90.04591	1.0
91.69483	1.2
96.96938	5.7
137.09756	12.6
149.84639	1.2
152.99579	42.5
155.10776	11.2
158.23053	1.1
162.18886	1.1
171.00572	1.8
171.10283	14.3
193.12363	5.0
209.11819	6.0
211.13330	2.1
223.00124	7.0
226.10057	1.2
241.01163	20.6
247.20683	1.5
291.19681	20.1
309.20697	13.2
315.04959	1.7
421.39767	1.2
504.76260	1.4
549.22839	1.9
625.26288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2639
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
56.50445	3.0
78.95896	24.3
92.22861	6.9
119.08321	3.5
133.37300	3.1
152.99571	45.9
154.01263	3.5
165.12755	5.2
208.98592	3.2
209.11900	7.2
241.01202	34.6
291.19696	18.9
309.20789	7.6
315.07471	3.8
625.26178	100.0
625.35046	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2642
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.02724	1.8
61.98824	2.2
78.95907	35.8
96.96953	3.1
97.00671	1.5
97.06545	2.0
97.86029	1.7
109.02937	1.7
110.97213	1.7
152.01129	6.5
152.99591	64.9
155.10722	3.5
167.10765	1.9
183.10266	58.7
185.11690	2.2
195.13878	2.2
213.01674	7.3
223.13412	20.5
241.01210	44.7
249.71489	1.7
259.02267	22.7
291.19702	12.5
297.03937	7.0
307.42618	2.1
315.04623	14.4
341.17715	2.0
375.77216	2.4
377.78738	2.1
499.15698	14.5
518.21625	2.0
539.18982	6.5
607.25415	17.4
625.26239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2674
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01391	1.0
69.94510	1.2
98.82957	1.3
103.95081	1.3
114.59383	1.4
322.16116	1.4
459.21918	3.1
474.21011	1.6
475.21249	3.1
477.22836	2.2
487.21893	11.1
488.22134	5.7
498.20654	2.2
502.24084	20.3
503.25143	12.5
513.23303	2.2
515.20691	2.6
516.21918	15.4
531.24127	37.8
534.22821	2.1
549.25183	100.0
563.23010	1.9
593.24316	17.1
595.25623	7.1
625.26868	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2674
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.36323	0.9
52.24707	1.0
59.01402	2.7
61.37803	1.2
63.39682	1.1
70.57296	1.1
78.87470	1.0
88.58065	1.0
91.26525	1.5
97.02946	12.9
101.02441	1.8
101.59262	1.1
104.80245	1.0
107.23760	1.1
113.02463	1.5
115.03983	2.1
119.95866	1.1
148.97614	1.1
227.20227	10.6
310.24286	1.3
365.27066	12.3
397.13556	2.2
415.14670	2.4
419.31827	1.6
440.44272	1.5
461.23959	1.5
463.30826	19.5
475.21573	5.7
487.21658	9.8
488.22162	7.5
489.23074	1.7
502.23904	21.4
503.25089	8.6
504.22708	1.8
513.22766	1.8
515.20850	4.7
516.21783	16.4
519.24359	2.8
531.24078	42.5
534.22351	1.7
549.25177	100.0
593.24304	19.6
595.26068	10.6
625.26642	6.1
625.36176	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03915	0.9
50.47264	1.0
55.45506	1.1
59.01383	30.6
66.55560	0.9
71.01376	31.4
71.01734	2.1
73.02943	9.7
73.43457	1.2
83.01402	1.6
85.02960	9.5
89.02429	21.9
99.00868	2.7
99.33209	1.4
101.02435	29.0
113.02447	14.4
119.03493	9.0
143.03540	1.3
148.77376	1.2
159.02957	2.9
161.04556	7.8
163.12405	1.3
185.04381	1.4
237.12212	1.2
263.11380	100.0
366.95215	1.2
389.11032	1.4
434.12054	1.2
554.30945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
57.65484	0.9
59.01387	10.7
65.02955	0.7
71.01381	22.7
73.02935	10.1
83.01384	3.1
85.02942	9.2
89.02448	8.4
95.01405	1.4
97.02962	1.1
99.00864	5.2
101.02446	24.2
111.00842	0.9
113.02454	14.3
115.04008	0.9
119.03478	1.9
125.02423	1.7
137.01590	0.8
143.03468	1.0
159.02965	3.3
161.04570	13.5
178.30611	0.9
331.17719	11.4
463.21744	1.1
493.23190	1.8
625.27234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04909	0.4
55.01870	0.7
59.01152	0.6
59.01385	11.0
62.89607	0.7
70.14138	0.5
71.01382	23.5
72.99297	7.9
73.02950	10.1
83.01376	3.2
85.02942	9.3
86.80998	0.5
87.00860	1.2
89.02444	11.6
95.01388	1.2
95.67932	0.6
97.02933	1.5
99.00890	5.5
101.01781	0.9
101.02441	24.6
111.00895	0.8
113.02444	15.6
113.83972	0.6
115.03963	1.4
119.03439	2.9
123.04489	3.6
125.02424	3.2
131.03505	0.6
131.47855	0.6
134.82343	0.5
135.04480	1.4
139.00261	0.7
143.03479	1.2
151.04036	0.7
153.00793	0.6
153.01915	2.4
154.02679	1.1
159.02979	3.1
161.04543	13.3
179.03516	8.7
197.04556	19.4
215.06941	0.6
227.96512	0.6
233.06543	0.8
331.17755	9.0
463.21661	0.7
493.23236	1.4
625.18060	6.6
625.27167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.3
64.77181	0.8
67.73127	0.8
71.01389	9.4
72.95840	0.8
72.99308	1.9
73.02957	1.9
79.35057	0.8
83.01396	1.2
83.47943	1.0
85.02961	6.8
87.00881	1.5
89.02474	6.7
96.96030	1.5
99.00890	1.2
101.02438	14.8
105.01899	1.1
113.02449	7.1
119.03488	1.8
125.02480	1.1
137.02498	0.9
143.03525	1.1
151.03952	3.4
161.04584	1.1
172.82509	0.9
175.01888	0.8
181.05000	1.0
184.64806	0.9
199.50423	1.1
205.05193	1.0
283.19144	1.0
290.28064	1.0
299.85287	1.2
301.20163	6.1
417.25336	1.1
445.24194	5.0
463.25610	5.7
607.29535	4.6
625.22321	4.0
625.30884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
59.01383	47.6
65.51054	0.7
70.22488	0.8
71.01376	20.8
72.99303	1.0
73.02946	5.7
83.01385	3.3
85.02934	9.1
89.02437	11.0
99.00878	2.1
101.02445	23.4
103.31440	0.9
113.02446	13.4
119.03489	4.8
131.03462	1.2
152.99597	1.8
153.05579	0.9
159.02956	1.4
161.04521	5.4
210.49190	0.9
275.53494	0.9
434.07794	0.9
467.26532	100.0
625.33423	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07700	0.4
55.48360	0.5
59.01384	4.3
61.98827	0.8
66.58913	0.5
71.01383	6.1
73.02946	3.6
80.96508	3.3
83.01393	0.8
85.02945	3.9
89.02448	1.3
99.00875	2.4
101.02431	10.6
113.02441	3.6
115.33710	0.7
139.11292	31.4
152.99675	0.9
154.19586	0.5
161.04530	1.4
163.63687	0.7
164.98643	1.1
183.10260	20.4
194.22665	0.6
201.11343	100.0
225.00766	2.4
286.92468	0.7
291.18106	6.1
314.72095	0.6
423.16635	0.9
423.22433	25.8
625.25397	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4245
Annotation	urushiol dimer
Peak:m/z	Relative Intensity
51.79169	0.9
56.77623	1.0
58.09977	1.0
59.01380	7.6
63.96166	0.9
75.68905	1.1
83.05044	1.2
85.98660	1.0
87.75227	1.2
89.17471	1.3
95.35546	1.4
173.87469	1.2
180.75255	1.1
185.25255	1.1
257.22894	3.8
268.33914	1.3
277.86856	1.2
301.21725	19.4
364.13025	1.2
625.34906	4.2
625.42548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53486	7.7
58.66052	7.1
70.26751	8.2
79.97676	8.7
108.21379	8.8
133.35519	9.0
190.16614	8.7
211.13527	13.5
225.08362	10.9
277.21741	37.7
279.23276	58.3
279.90009	8.8
291.19757	12.6
302.52823	8.5
311.22250	11.0
347.64450	8.7
588.20190	8.9
589.44623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85396	1.0
53.27481	1.1
53.73241	1.0
54.00426	1.2
59.01393	1.1
81.79221	1.2
94.03579	1.3
114.36467	1.2
138.61858	1.2
225.22270	44.6
253.21794	1.8
271.22818	100.0
279.23328	1.9
456.45798	1.5
599.58594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13653	1.4
71.48003	1.4
75.00854	1.7
78.78580	1.4
88.04011	12.2
88.83875	1.4
105.09073	1.6
107.90639	1.6
109.14143	1.7
111.97962	1.6
114.05598	2.5
137.23958	1.5
157.09807	15.6
159.11385	26.4
185.09373	3.1
187.07292	2.1
190.49295	1.9
201.08855	8.0
215.06805	3.8
273.07355	13.4
291.08374	100.0
387.90552	1.8
411.34174	1.7
548.40839	2.9
566.41858	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27201	0.4
54.11306	0.4
56.09640	0.4
59.01378	5.9
59.27790	0.3
60.01716	0.6
61.98834	100.0
71.01381	0.7
92.22401	0.6
113.02443	0.4
117.68475	0.4
161.04607	0.5
180.67278	0.4
249.82957	0.4
382.84351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18147	0.3
57.03456	0.6
59.01381	0.7
60.84054	0.3
80.25567	0.3
83.71151	0.3
113.09720	14.7
118.11349	0.3
119.42300	0.3
124.15027	0.3
127.45587	0.3
134.56085	0.3
139.11301	0.8
167.10718	2.8
177.12924	0.6
179.10820	2.4
191.77750	0.3
195.13905	1.9
229.05489	0.4
243.56613	0.4
249.22194	2.6
275.20221	0.7
293.21268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28764	0.8
58.40760	0.9
66.97839	0.9
74.31836	1.1
81.83494	0.9
82.65826	0.9
116.92857	1.7
125.09747	3.8
169.89272	1.0
185.11815	5.1
197.11800	1.7
293.21262	100.0
486.53442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50380	1.1
86.27145	1.1
167.06111	1.3
200.83025	1.1
238.47844	1.5
268.03802	23.7
283.06128	100.0
292.52304	1.5
477.73969	1.6
502.55179	1.4
627.15094	27.6
627.26324	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58469	0.5
55.63626	0.5
59.01374	5.9
65.61666	0.6
65.84628	0.5
67.20616	0.6
71.01373	9.5
72.99305	7.3
75.00885	6.5
83.56406	0.6
85.02940	9.4
87.00887	6.3
89.02447	6.3
95.01384	2.9
96.96004	1.2
99.00867	4.2
101.02425	1.2
103.00373	2.4
113.02445	29.4
117.01954	1.1
119.03527	0.7
125.25514	0.7
129.01958	0.7
135.04538	0.8
179.03456	7.5
197.04567	16.8
207.05127	1.1
237.06366	0.7
249.06128	3.0
267.07236	100.0
272.18515	0.7
359.09888	18.6
430.49054	0.8
459.58163	0.7
529.15759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60189	3.9
59.01394	22.2
61.52531	4.4
61.98832	100.0
62.08572	4.2
71.01382	10.4
75.23238	4.7
75.42591	4.5
80.52564	4.1
81.59821	4.4
89.02444	9.3
93.48630	4.5
101.02428	5.5
102.99889	4.3
113.02425	6.2
129.34041	5.2
141.54459	4.0
146.56725	5.4
153.33838	4.6
162.63420	4.6
176.71146	6.3
179.05644	6.6
223.06421	5.2
531.18988	27.9
627.18689	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	2.4
59.01388	18.7
60.99300	5.7
67.01889	6.8
68.74722	1.5
71.01392	2.3
87.00873	20.6
93.03448	85.2
99.00868	2.5
104.00433	1.4
111.04512	15.0
123.00901	1.8
134.03772	3.1
149.02440	3.3
149.06053	3.4
150.03204	8.8
155.03514	2.5
157.74355	1.6
164.04750	2.4
165.05562	41.2
173.04549	28.0
178.02698	1.8
191.05594	12.3
193.05037	17.6
194.05861	6.8
195.06664	22.0
209.08188	11.3
212.59653	1.5
222.27611	1.6
242.64046	1.7
287.85461	1.5
342.11084	3.2
357.13565	15.0
405.15582	42.8
529.15729	2.2
627.19379	100.0
643.13684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42448	1.0
59.01380	1.7
60.99312	1.8
67.01900	6.2
71.01375	1.7
83.05054	1.7
87.00855	14.2
93.03455	69.1
105.01955	2.2
111.04519	11.7
115.03996	9.6
129.01930	1.5
134.03743	6.8
148.27147	1.1
149.06091	8.5
173.04543	20.4
178.02733	7.4
187.31853	1.2
191.05638	90.6
193.05077	40.7
200.07327	1.1
367.10281	5.1
467.86951	1.3
617.67120	1.5
627.19440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	2.4
59.01388	18.7
60.99300	5.7
67.01889	6.8
68.74722	1.5
71.01392	2.3
87.00873	20.6
93.03448	85.2
99.00868	2.5
104.00433	1.4
111.04512	15.0
123.00901	1.8
134.03772	3.1
149.02440	3.3
149.06053	3.4
150.03204	8.8
155.03514	2.5
157.74355	1.6
164.04750	2.4
165.05562	41.2
173.04549	28.0
178.02698	1.8
191.05594	12.3
193.05037	17.6
194.05861	6.8
195.06664	22.0
209.08188	11.3
212.59653	1.5
222.27611	1.6
242.64046	1.7
287.85461	1.5
342.11084	3.2
357.13565	15.0
405.15582	42.8
529.15729	2.2
627.19379	100.0
643.13684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87780	0.6
59.01366	1.3
60.99316	4.8
67.01896	11.0
69.03442	2.5
71.01372	3.8
81.03445	0.9
83.05034	0.7
85.02922	0.9
87.00862	20.4
88.98785	5.2
89.02440	3.5
93.03448	91.1
99.00846	1.3
99.04510	1.5
109.02936	0.7
109.33002	0.6
111.04515	14.9
113.02440	1.4
115.03984	1.1
128.03706	0.7
129.01909	3.0
134.03741	4.5
143.03493	0.6
149.06100	5.1
151.03883	0.7
155.03473	3.8
173.04550	31.4
178.02692	3.2
191.05630	13.7
193.05060	17.2
245.83470	0.7
267.03598	0.7
367.10419	1.4
529.15875	0.8
595.05548	0.7
627.19366	100.0
651.98212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06747	0.6
52.81871	0.9
53.93921	0.6
57.03445	0.8
59.01370	5.2
60.99294	3.3
61.35279	0.7
67.01888	9.4
69.03441	1.9
71.01361	3.7
72.99283	1.1
79.34052	0.8
81.03451	1.2
82.94489	0.7
87.00867	19.1
89.02387	0.9
93.03450	94.4
99.00879	0.9
99.04548	1.0
111.04510	17.1
113.02426	3.5
115.04002	1.0
129.01926	1.8
134.03728	4.7
149.06062	5.0
155.03490	5.2
165.05545	8.0
173.04533	32.2
178.02654	1.6
191.05634	10.0
193.05045	16.5
194.05856	1.4
195.06621	4.8
209.08206	2.0
357.13425	3.3
367.10376	1.1
401.56650	0.8
405.15665	6.6
529.15796	1.2
627.19434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.34013	0.3
58.73975	0.3
59.01374	2.7
67.01891	2.2
69.03459	0.4
71.01380	3.0
72.99309	0.6
83.05014	0.3
85.02951	0.6
87.00891	0.5
93.02861	0.8
93.03448	20.3
97.09571	0.4
105.01926	0.8
107.53999	0.4
108.02167	0.4
109.02960	0.7
111.00895	0.6
111.04520	5.2
111.35300	0.4
115.03978	0.5
133.13191	0.4
134.03728	7.0
137.02451	5.3
149.06093	7.4
153.01933	0.5
153.49219	0.4
155.03479	4.4
173.04549	100.0
178.02736	7.4
187.09828	0.4
191.05595	0.7
193.05064	24.7
197.04637	0.5
198.04662	0.4
207.82790	0.3
324.45486	0.4
453.14130	0.8
627.19305	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
67.01888	3.0
71.01360	3.8
71.56258	0.4
81.03427	0.4
93.03442	19.6
101.02422	0.5
109.02954	0.6
111.00845	0.8
111.04501	5.8
111.26843	0.5
133.76337	0.5
134.03722	7.3
137.02428	4.4
149.06076	8.0
155.03455	4.2
171.43240	0.4
173.04546	100.0
178.02733	5.6
193.05069	20.3
193.06824	0.8
198.82367	0.4
274.02502	0.5
402.17114	0.5
523.15497	0.5
627.19324	21.0
627.27948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01373	2.2
67.01891	2.9
69.78779	0.4
71.01374	2.6
81.03416	0.7
83.05009	0.5
85.02924	0.8
87.00891	0.8
87.90678	0.4
92.22457	0.4
93.03448	19.8
96.95988	0.6
105.01927	0.9
109.02956	0.5
111.04507	5.0
133.02905	0.4
134.03741	7.2
137.02423	4.9
144.14735	0.4
149.06082	7.4
152.01129	0.5
155.03525	4.4
173.04550	100.0
178.02687	5.0
191.05573	0.8
193.05070	22.8
208.90916	0.4
245.44818	0.5
249.15535	0.4
298.54416	0.4
525.76068	0.4
557.75488	0.6
584.18048	0.5
627.19427	21.5
643.34216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97813	0.3
59.01389	1.8
60.45424	0.3
63.68967	0.4
72.99303	2.1
75.00868	6.2
82.06580	0.4
82.52088	0.4
87.00881	2.2
100.28323	0.4
105.01929	100.0
119.89682	0.4
164.73515	0.4
173.04601	0.9
178.02841	0.4
193.05144	0.7
199.51173	0.4
208.59634	0.4
297.91724	0.4
398.50806	0.5
423.20612	0.5
448.28464	0.4
513.71790	0.4
627.19879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.7
59.01384	40.7
62.48219	1.0
72.71829	1.0
82.60859	1.0
87.00862	1.7
92.23231	1.1
93.03455	7.0
98.68728	1.0
127.81551	0.9
136.45049	1.0
149.02383	7.5
150.03212	25.6
161.02461	1.7
163.07690	1.4
164.04779	12.3
165.05560	100.0
176.04834	5.5
179.03539	2.4
180.04279	6.1
191.07169	2.4
194.05873	16.7
195.04848	1.7
195.06644	50.8
199.53499	1.1
209.08194	26.6
342.11041	13.6
357.13464	32.5
405.15591	93.1
533.34076	1.1
627.19244	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	11.7
73.06036	0.8
78.95931	0.8
93.03488	0.9
107.03216	0.9
121.02943	1.4
122.03741	4.4
137.02461	0.9
146.36986	1.0
149.02457	24.1
150.03227	68.7
152.99617	1.1
153.05647	1.2
154.07593	1.0
164.04778	10.9
165.05569	100.0
180.04269	7.6
193.04994	2.0
195.06644	50.9
195.73119	0.8
207.06866	0.8
209.08299	1.0
223.06055	1.1
236.47295	0.8
267.19711	1.0
283.06100	4.9
285.11151	1.1
311.09534	1.3
313.10721	1.3
325.10785	3.7
325.14499	1.2
328.13327	2.0
340.13086	1.4
341.06290	1.1
341.10321	33.6
343.15598	1.8
346.38156	0.9
356.12653	10.5
371.15048	55.1
376.42297	1.1
378.18826	1.0
461.15985	1.2
519.20337	34.6
567.22754	1.9
579.22589	7.1
627.27625	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83871	1.1
59.01376	6.1
61.98841	2.0
83.08340	1.3
88.29282	1.6
92.22623	1.7
113.02419	1.4
122.97023	1.5
127.37660	2.0
135.04465	1.5
136.05351	1.5
146.87341	1.5
149.02449	22.2
150.03230	73.7
164.04810	6.0
165.05559	100.0
180.04298	6.8
195.06642	41.6
283.06085	6.0
309.11279	3.3
369.13589	2.4
370.14346	8.7
371.11377	10.5
382.30267	1.8
383.11404	13.0
386.13773	12.6
401.16098	20.5
413.16333	13.4
479.33127	1.7
513.90540	1.6
549.21240	7.3
579.22461	38.4
627.24261	34.1
627.34418	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.40327	1.2
61.89304	1.2
64.46005	1.2
83.13220	1.3
90.85023	1.3
106.06805	1.4
107.61398	1.3
111.95959	1.3
119.63359	1.5
148.93077	1.4
152.99617	3.0
309.07800	1.7
312.10266	2.7
318.64685	1.4
324.10129	2.1
327.12372	7.8
339.12387	9.7
627.28772	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	2.2
73.89707	1.9
82.22907	1.7
127.77154	1.8
356.13940	10.7
368.13925	11.5
370.15616	4.2
381.10764	2.6
382.15833	16.0
384.17065	4.6
395.12976	2.7
396.08517	3.6
396.13571	100.0
410.15216	13.8
411.15945	53.1
411.79364	2.2
412.16635	3.1
414.14523	7.7
415.15500	2.1
442.17517	2.6
443.14819	15.9
455.14713	11.0
468.54370	2.3
551.22736	13.7
565.24377	2.9
583.25671	21.5
595.22009	20.8
627.24524	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07328	0.9
63.11277	0.8
65.22598	0.9
69.89352	1.0
71.01385	5.0
72.99305	7.8
109.31422	1.2
115.00362	34.1
123.04551	1.4
123.64992	1.2
130.39288	1.1
133.01428	100.0
133.98563	1.1
135.04605	3.4
151.04024	1.2
179.03476	5.6
197.04575	10.2
561.50281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16110	0.7
59.01374	5.2
62.19659	0.8
67.60162	0.8
70.10418	0.7
71.01373	5.1
73.02938	1.4
78.95912	3.6
80.55909	0.9
84.85101	0.7
85.02948	1.6
85.49461	0.9
89.02451	1.3
96.96928	1.2
101.02414	6.5
101.45384	0.8
113.02435	3.1
118.46681	0.9
119.63116	0.8
121.19243	0.9
127.07635	0.9
147.04523	5.6
149.02431	35.7
152.99579	5.4
158.08855	1.0
164.04796	98.8
168.08560	0.9
171.10243	3.1
176.65547	0.9
179.07164	9.3
190.02768	10.0
205.05060	11.5
208.03770	2.1
211.13393	1.3
223.06126	100.0
224.91484	0.9
241.01195	4.1
283.06076	1.2
289.16748	1.6
293.21432	1.0
311.22202	1.2
375.62094	1.0
403.19504	1.2
546.56110	0.9
627.27081	59.2
627.37555	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
61.88619	0.8
63.51557	0.9
71.01387	1.9
71.03560	0.8
74.01694	0.9
78.95914	1.5
84.85938	1.0
98.40067	0.9
99.00856	1.3
101.02432	5.5
117.03466	6.3
134.03738	100.0
135.35918	1.0
149.06078	14.3
152.99539	3.7
153.98209	1.0
160.01643	8.7
171.10266	2.3
175.03996	17.6
178.02696	2.1
193.05063	91.0
241.01044	2.0
267.60840	1.1
277.16641	4.4
283.06015	1.5
433.20490	1.3
459.87305	1.0
627.26770	35.9
627.36096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2703
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
50.38324	0.5
52.31734	0.5
56.02749	0.5
56.13918	0.6
57.13091	0.5
59.01384	1.2
61.98846	0.9
71.01366	3.8
78.98579	3.0
79.95737	9.4
80.96049	1.1
80.96514	27.2
85.02943	2.3
87.00872	1.0
89.02428	0.6
94.98091	7.0
97.02950	0.9
101.02432	3.9
106.98060	0.9
113.02417	0.7
121.09718	0.6
122.97583	1.0
125.02443	2.3
134.97572	3.0
136.99165	0.6
148.99104	2.7
152.98613	5.5
164.98642	14.1
183.13881	0.8
186.24464	0.8
206.99643	3.0
220.28189	0.6
221.54591	0.6
225.00752	29.6
241.00194	1.0
299.04468	4.7
327.21680	1.0
371.06378	2.3
377.38779	0.7
385.07953	0.8
413.11371	0.8
483.18967	1.3
493.86026	0.7
554.16290	0.7
627.26996	100.0
651.49426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60302	1.2
54.58361	1.2
60.61108	1.1
63.81818	1.1
73.33369	1.5
73.58715	1.1
75.07741	1.3
76.14890	1.1
78.95902	22.6
83.05049	1.5
92.22511	2.1
96.96960	7.2
99.08116	1.8
108.12191	1.3
115.11202	1.2
125.09709	1.6
134.03741	8.3
136.71605	1.3
138.34074	1.2
139.11278	5.7
150.03244	1.8
152.99593	38.5
157.08722	1.8
165.05487	1.6
171.10304	11.7
183.10345	1.8
193.05081	11.7
220.65247	1.4
223.00099	2.3
241.01215	30.9
259.02206	1.8
283.06152	2.3
293.21228	23.3
311.22379	25.7
315.04907	2.3
591.20972	7.2
627.27979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	1.0
63.27032	1.0
69.61295	1.1
75.29293	1.0
78.95895	22.5
92.22534	2.3
96.96939	6.4
97.06599	1.2
113.09697	2.0
120.70777	1.1
134.03738	1.4
152.99585	46.9
153.12848	2.6
154.69060	1.3
155.10754	7.0
157.08691	10.0
165.05557	1.2
181.12299	4.8
183.10219	2.6
211.13365	4.6
223.00087	1.2
241.01208	31.0
293.21262	18.4
311.22296	40.1
315.04718	2.7
432.95712	1.4
520.83417	1.5
627.27924	100.0
650.07745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46651	1.6
59.01382	2.7
59.90766	1.7
61.94818	1.7
66.55158	1.9
78.95894	21.0
87.71799	2.0
88.39745	1.8
91.61794	1.7
96.96943	8.1
108.75144	1.7
113.09748	2.9
115.51443	1.7
139.11208	2.1
152.99594	43.3
155.10896	6.4
155.24521	1.9
171.10181	4.6
181.12338	11.7
183.10229	3.5
201.11342	3.3
211.13390	8.9
241.01144	25.8
283.09674	2.6
293.21246	22.9
311.22232	25.0
315.04871	2.2
321.89273	2.3
388.60373	1.9
424.73856	2.2
445.22177	2.1
447.21414	2.1
461.84244	2.5
529.82190	2.4
627.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2799
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
68.57230	2.1
78.95892	17.7
80.84515	2.0
95.99538	2.0
96.96947	2.8
97.25948	2.0
152.99577	42.8
163.94373	2.0
171.10263	23.5
181.12294	3.0
185.11772	3.7
197.11760	3.0
201.11456	3.7
211.13356	4.3
223.06169	3.1
241.01201	33.5
266.43698	2.1
293.21237	12.1
298.44974	2.5
311.22232	12.9
613.66449	2.6
627.27930	100.0
627.37708	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2797
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.17768	0.6
59.01372	0.9
61.98846	0.7
71.22402	0.7
78.95901	19.7
79.39342	0.7
88.98801	1.2
89.44456	0.7
96.96957	5.4
109.66488	0.8
127.11268	0.8
128.28270	0.7
152.99597	33.6
155.10776	12.2
181.12355	17.8
183.10263	9.0
197.11925	1.0
199.13391	1.7
211.13409	1.4
241.01216	35.0
259.02133	0.9
283.06250	2.8
293.21301	9.9
303.36807	0.8
311.22308	50.6
315.04932	4.7
421.18564	1.0
447.21631	1.2
627.28009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
63.62346	1.0
75.11433	1.0
78.95906	20.8
83.53422	1.2
96.96958	4.3
99.08163	1.4
129.09200	2.6
143.47395	1.1
151.11279	1.7
152.99585	46.8
169.12357	2.1
171.10281	2.0
181.12364	4.8
197.11841	10.8
199.13396	2.6
211.13431	14.1
223.00162	4.9
224.75893	1.2
241.01230	21.1
243.66748	1.2
275.20038	1.1
293.21210	10.3
294.13300	4.3
311.22250	12.1
315.04947	2.0
389.84769	1.7
410.20505	1.2
610.84021	1.6
627.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2798
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01378	2.6
70.78975	1.5
78.95905	47.8
96.96001	1.8
96.96962	8.2
110.98518	3.5
152.99594	56.3
164.81474	1.6
176.88217	1.8
183.10265	62.9
202.21977	1.8
213.01668	7.9
218.26259	1.6
241.01218	37.3
259.02240	37.8
293.21283	9.3
297.03738	6.6
297.11243	2.1
308.37427	1.8
315.04974	12.8
415.10043	1.9
436.06192	1.9
499.15781	10.8
609.26636	14.5
627.27911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.15753	0.9
66.75809	1.0
67.06942	0.9
74.48174	1.0
85.02937	4.3
89.87288	0.9
90.79854	0.9
97.06590	1.8
105.66219	0.9
125.09602	1.0
152.66849	1.1
152.99576	2.2
171.10265	14.7
183.13972	2.2
209.11794	1.2
211.13396	34.4
221.11829	5.8
229.14459	20.0
239.12863	3.8
253.14716	1.1
264.54138	1.1
289.33792	1.1
289.91257	1.0
291.19675	4.3
327.21783	100.0
367.54779	1.0
513.52972	1.0
627.28040	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2964
Annotation	Gambogellic acid
Peak:m/z	Relative Intensity
51.72720	2.6
57.21282	2.6
58.98644	2.4
59.01385	45.4
66.90926	2.5
71.01374	15.9
71.44592	3.1
74.74596	2.7
78.95889	5.2
85.02927	4.1
88.36518	2.7
89.02448	7.5
91.60069	3.2
95.13441	2.8
101.02438	16.6
113.02416	5.5
149.02432	6.5
150.03238	17.3
152.99538	15.0
165.05586	23.1
171.10289	3.2
171.83727	3.0
195.06595	6.6
211.13452	3.1
241.01109	3.9
243.66737	3.7
328.26099	3.1
361.23663	4.9
363.25598	6.0
371.14944	11.9
507.29404	5.6
519.20148	11.6
525.30627	4.0
567.31824	52.1
627.28699	100.0
627.37750	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33023	0.2
59.01383	1.5
67.01881	3.3
71.01388	1.2
85.02957	1.3
87.29715	0.2
88.98805	0.5
89.02443	1.0
101.02435	1.8
111.00871	100.0
113.02453	0.5
119.03516	0.3
132.35364	0.2
141.04277	0.2
161.04472	0.3
186.90996	0.2
293.21286	1.0
353.23364	1.3
353.99377	0.3
361.37567	0.3
447.16125	0.2
515.28644	4.8
581.21631	0.3
627.30408	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73206	0.7
59.01371	1.7
59.58673	0.7
59.71384	0.7
60.11358	0.8
61.97683	0.7
68.40586	0.8
71.01348	1.1
72.99302	63.7
78.95905	3.5
82.86309	0.8
101.02448	1.7
123.04527	17.8
135.04520	25.1
135.64926	0.8
152.99535	3.9
179.01907	1.7
179.03500	64.6
197.04565	73.6
241.01231	1.2
311.22211	1.7
503.23853	1.0
627.30212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.0
62.46591	0.9
66.64207	1.0
70.73003	1.0
71.01376	21.8
71.11736	0.9
73.02934	9.4
75.00853	9.3
79.95763	1.1
80.96514	2.1
83.01383	2.3
83.62667	1.2
85.02966	12.8
87.00883	1.7
89.02443	14.2
92.23062	1.5
95.86071	1.4
97.02962	2.1
97.34779	1.1
99.00893	5.0
101.02438	26.6
111.00805	1.1
113.02435	12.8
115.03986	12.0
119.03500	8.0
119.05050	1.2
125.43784	1.1
129.31931	1.2
131.03516	5.6
131.42238	1.1
145.08809	1.2
161.04588	6.7
165.05550	2.0
173.36873	1.1
179.05530	1.3
191.05800	1.7
225.00662	1.2
231.17635	4.7
271.17172	1.4
289.18149	1.7
349.20364	2.2
411.16995	4.4
416.37698	1.3
431.15723	4.2
511.25635	11.0
529.26575	51.7
627.30518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09299	0.5
59.01388	7.8
61.98832	1.0
65.57857	0.6
71.01373	7.8
71.12878	0.6
72.99297	1.5
73.02952	2.5
73.77612	0.6
75.00869	91.1
78.13155	0.6
80.96519	0.6
85.02956	3.7
89.02435	4.4
92.22456	0.7
99.00855	0.9
101.02432	9.3
113.02437	3.8
119.03504	0.9
143.03506	0.8
143.10773	1.0
159.02934	0.9
161.04610	2.0
161.51379	0.8
177.01941	4.2
177.05579	0.8
178.02736	1.3
192.04320	5.1
193.05119	5.4
203.03476	2.9
204.04346	1.0
232.03719	5.3
247.06136	16.9
249.12074	0.6
265.07242	2.7
274.06680	0.7
303.19537	1.2
315.08847	1.1
419.26086	0.7
447.26047	0.9
465.26260	1.4
627.32422	100.0
628.55743	0.7
635.65320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89626	0.5
57.03470	0.5
59.01383	11.8
68.79521	0.6
71.01379	12.3
73.02946	3.7
85.02937	6.8
87.00870	1.0
89.02449	6.1
92.27187	0.7
94.98091	0.8
101.02441	14.4
113.02438	5.8
119.03461	1.2
124.98315	0.7
153.01953	1.5
153.24681	0.7
159.02972	0.9
161.04520	2.9
197.04616	1.1
257.21353	1.5
303.21701	2.4
419.26892	4.2
444.50562	0.8
447.25980	11.2
465.27045	7.7
529.26624	0.9
572.06519	0.9
598.49957	0.8
609.30963	4.6
627.32471	100.0
632.45819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04024	0.7
55.98741	0.6
57.03448	1.2
59.01378	15.1
71.01376	9.9
73.02943	1.6
74.27525	0.8
83.05026	3.4
84.28546	0.8
85.02939	3.8
87.04503	1.6
89.02445	9.2
98.03740	1.0
101.02433	12.6
103.31205	0.7
113.02441	5.0
119.03490	3.1
127.07628	14.9
130.19505	1.1
149.02425	1.0
152.99611	1.8
164.04802	4.5
205.05077	1.1
223.06114	5.7
231.17612	1.3
246.49068	0.8
253.18159	0.8
320.54843	0.9
465.32303	4.0
518.55450	0.8
627.28406	5.0
627.37598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44925	0.7
54.01318	0.9
57.03444	1.3
58.58335	0.8
59.01382	13.8
69.40099	0.8
71.01379	9.6
72.11930	0.9
73.02943	2.0
78.95901	1.4
79.39882	0.8
83.01393	1.1
85.02946	4.1
87.53226	0.9
89.02435	5.3
101.02441	9.8
107.08617	0.9
109.06597	2.1
110.86887	0.9
113.02419	7.1
119.03477	1.0
127.07622	9.5
130.16861	0.9
132.52034	1.0
135.11330	0.8
149.09695	5.2
152.99582	1.8
155.07220	1.4
171.10243	1.8
175.14877	1.0
186.28360	1.2
193.15947	1.1
219.13991	1.3
228.09850	0.9
237.14952	1.6
241.01283	1.1
283.06058	2.2
310.19012	1.0
327.21704	1.1
329.41312	1.1
434.79993	1.1
464.31354	1.5
465.32233	1.3
627.28534	8.0
627.37646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70255	0.7
59.01394	0.7
65.13680	0.8
65.90746	0.7
72.51583	0.8
122.18166	0.8
125.09688	1.7
135.04541	1.8
136.01631	5.5
137.02423	4.1
137.78558	0.7
146.03709	1.3
147.04535	9.1
151.04025	10.5
159.04512	16.5
161.06085	1.8
163.03999	1.9
165.29503	0.9
174.03175	3.6
175.04015	13.0
177.05548	1.4
187.04027	5.9
205.05014	3.9
252.04337	0.9
253.05109	6.3
253.81389	0.8
266.05820	3.0
267.06674	11.3
267.26996	1.2
268.07471	3.5
269.24878	62.2
281.08240	1.9
294.05283	3.0
309.07706	1.2
327.09055	0.8
432.67059	0.9
445.33298	2.0
455.31763	5.5
457.33282	42.3
475.34222	4.4
476.80481	0.9
563.33875	1.5
564.34766	7.2
579.37134	18.6
585.23486	0.9
627.39069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85625	0.7
54.06596	0.6
59.01337	0.8
61.98832	100.0
95.73951	0.9
108.87142	0.8
135.30135	0.8
140.43820	0.9
157.54544	1.0
197.99983	0.8
240.29048	0.9
389.88470	0.9
439.48199	1.0
534.45477	1.0
567.42242	3.5
627.40936	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42979	1.2
59.01382	100.0
64.90789	1.0
68.65177	1.1
72.32058	1.1
83.33882	0.9
87.00877	4.0
139.90175	1.0
247.43600	1.2
277.21732	48.2
627.40826	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83082	2.2
57.03472	2.1
58.62938	2.1
72.84184	2.4
72.94007	2.9
75.47987	2.4
83.04971	3.8
87.00864	5.9
95.04996	6.2
109.06604	6.3
113.06091	21.2
113.09718	3.2
123.08094	2.9
135.08150	14.3
149.09700	5.1
151.11298	6.5
165.83113	2.6
171.10297	5.7
185.11922	4.1
193.12300	10.0
195.13873	3.4
200.37431	2.6
209.11862	14.9
211.13411	9.5
233.15538	5.3
236.38663	2.7
241.00406	2.9
250.88152	3.2
289.18127	49.1
307.19177	100.0
313.23779	4.4
508.64688	2.9
577.38831	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55266	2.8
63.49079	2.4
69.00859	2.5
73.35061	2.4
74.25681	2.4
78.01669	2.6
81.82529	2.3
110.56857	2.5
162.06847	10.6
171.10300	11.9
177.09169	3.7
207.93710	3.2
211.13394	5.8
279.23315	66.9
293.21228	12.4
309.20941	3.9
311.22415	31.8
408.92880	3.0
415.82098	2.8
440.61459	2.6
446.35892	3.2
570.27991	2.9
589.44531	4.6
591.46411	100.0
627.49231	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97141	1.0
57.97565	100.0
90.03540	0.9
92.22694	2.9
104.85240	1.0
105.49952	1.0
111.85524	1.0
218.09727	0.9
219.64737	1.0
312.29306	1.1
326.99152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23001	2.5
57.97566	100.0
99.21660	3.0
99.27124	3.2
111.75508	2.9
123.22802	2.8
141.64156	3.3
213.92009	3.4
272.81473	3.3
276.58902	3.4
355.35730	3.3
524.39484	3.6
630.71484	3.9
633.84314	4.1
635.69702	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69991	0.6
55.98709	0.6
59.01377	13.9
65.69945	0.7
76.99106	0.9
80.13156	0.7
88.45433	0.7
108.01189	0.7
240.39398	0.7
253.25375	42.1
281.24899	0.8
299.25955	100.0
327.29062	23.6
377.94788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39849	0.4
79.72795	0.4
93.75869	0.4
111.72524	0.4
112.45667	0.4
112.72636	0.5
116.17883	0.4
151.39186	0.5
177.03879	0.4
227.87784	0.4
241.11594	0.4
269.24884	100.0
403.32013	0.4
404.17413	0.4
457.33722	0.6
500.75705	0.5
611.08716	0.6
627.38898	0.9
644.89233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
61.98817	0.5
132.24228	0.5
154.58350	0.5
238.41333	0.6
250.20680	0.6
267.26941	33.4
290.65723	0.6
295.26431	1.0
313.27530	100.0
354.45135	0.5
540.40741	0.6
570.66724	0.6
589.44556	0.8
627.40509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23811	0.5
77.20438	0.4
79.46046	0.5
82.71740	0.5
83.76671	0.5
85.50383	0.6
92.63089	0.5
107.67099	0.4
108.42468	0.5
123.24235	0.5
159.03322	0.9
160.04024	2.3
250.05138	1.2
266.04443	2.1
278.04755	0.6
279.05618	0.8
280.06158	5.7
293.03247	0.6
294.04105	9.7
308.05661	25.9
309.06448	14.8
324.08789	100.0
368.07751	22.1
497.86411	0.6
530.12872	2.1
628.16766	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32747	0.4
56.58497	0.4
56.85633	0.4
62.38379	0.4
62.75763	0.4
71.04985	0.4
78.29036	0.6
92.22522	0.6
99.04482	0.5
105.01917	4.0
117.05618	0.5
132.02184	0.7
133.02890	3.9
134.03741	22.6
135.04518	0.5
136.01698	0.6
137.02425	0.6
147.04562	0.5
148.05293	7.9
149.06071	21.5
153.05576	0.7
160.01671	10.7
175.03996	50.4
177.01930	3.4
192.04308	3.5
192.05775	0.5
193.05058	21.8
234.08913	0.6
278.07983	18.5
293.10339	100.0
461.93604	0.6
628.22052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74324	1.0
56.89638	1.3
59.01368	1.8
59.77626	1.1
65.70155	1.2
71.01383	1.7
73.93316	1.2
112.07680	1.2
114.11340	1.2
116.40853	1.2
141.61649	1.2
155.67920	1.2
156.10295	5.1
156.18500	1.5
171.10370	1.5
218.10347	100.0
409.20697	2.8
552.90131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61335	1.1
61.98831	1.1
70.16139	1.1
78.95905	7.2
90.89285	1.1
98.35919	1.2
120.66244	1.3
129.88655	1.3
140.01170	2.7
152.99580	14.5
191.38133	1.3
196.03818	14.7
269.24881	100.0
434.32852	1.7
466.29453	11.2
610.36224	1.6
628.34784	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13872	2.8
58.93884	2.7
61.98518	4.8
61.98833	100.0
71.43295	2.9
84.96246	2.9
106.37424	2.8
106.52633	3.0
107.77504	3.4
268.65329	3.2
585.69769	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21403	0.9
51.55159	0.9
52.53801	0.8
56.94209	0.9
61.98843	1.0
68.78105	1.0
72.57943	0.8
72.58356	0.9
78.48609	1.1
84.82751	1.0
84.89525	1.0
116.92866	1.5
123.68443	0.9
195.13937	19.0
277.21753	19.5
292.18188	1.1
295.22809	100.0
302.02869	1.0
324.04086	1.3
325.77484	1.1
327.98700	1.3
364.12207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13517	0.6
63.02113	0.6
71.01380	3.0
72.99304	14.2
78.13203	0.7
98.86321	0.6
111.64600	0.7
115.00372	8.5
123.04546	1.2
133.01424	27.0
134.01788	1.4
135.01819	1.0
135.04509	5.6
138.05637	0.9
146.79591	0.7
149.81538	0.7
153.01974	1.3
179.01950	0.9
179.03497	19.9
193.39801	0.7
197.04565	100.0
223.02539	1.2
233.80711	0.8
271.06064	1.1
333.06210	19.1
352.64969	0.8
359.09982	2.8
495.11490	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04890	0.6
52.52579	0.6
66.91737	0.7
72.99303	15.8
73.59381	0.7
73.69827	0.8
79.81339	0.8
90.02173	0.6
115.00372	6.5
123.04486	2.9
133.01430	15.9
135.04498	3.9
153.01979	1.2
179.03488	17.5
187.25603	0.8
193.62209	0.7
197.04568	100.0
271.06195	1.0
333.06229	22.9
359.09796	3.5
459.29053	0.9
495.11539	47.2
602.22266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81780	1.0
60.48048	1.1
66.00429	1.3
68.82571	1.5
72.94625	1.2
72.99306	52.3
89.02457	2.1
89.08572	1.3
89.81094	1.2
92.73484	1.1
98.98276	1.1
99.00894	1.3
108.28368	1.3
110.75545	1.4
113.02440	1.7
123.04521	21.7
132.29132	1.2
133.01395	2.1
135.04535	29.3
151.03896	1.4
152.22064	1.3
179.03510	53.5
183.59654	1.3
197.04578	100.0
303.38290	1.3
431.15689	13.9
492.30475	1.4
629.20697	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.0
60.00123	0.7
71.01377	16.5
71.42603	0.6
75.00880	5.6
85.02933	0.8
89.02438	23.4
91.56204	0.7
101.02435	18.5
107.05048	1.2
113.02441	9.7
114.90509	0.8
119.03475	12.5
123.04430	1.0
131.04651	0.7
135.04523	37.6
151.03981	3.0
151.37305	0.6
152.01120	1.6
153.05569	3.3
164.88741	0.7
167.03510	12.3
168.03801	0.7
202.05757	1.0
240.20668	0.7
313.09668	1.1
313.12949	7.0
315.10898	100.0
329.13608	1.0
629.18939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20405	0.6
53.59037	0.7
54.04639	0.6
59.01382	27.1
71.01377	14.6
74.19851	0.8
75.00906	1.6
77.87468	0.7
85.02926	1.2
86.68098	0.8
89.02445	25.7
99.92566	1.3
100.93364	2.0
101.02445	18.6
103.10882	1.0
113.02470	7.8
115.92071	6.2
116.92861	4.2
119.03484	12.5
123.04523	6.7
123.05287	0.8
128.62546	1.0
135.04524	30.8
149.04649	1.0
150.03229	1.9
150.49231	0.8
151.04016	17.0
153.05582	22.0
170.93904	1.4
218.89688	0.9
226.96501	1.3
313.09305	9.9
313.12729	2.3
315.10898	100.0
392.72644	1.2
461.62347	0.9
549.07104	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
61.46429	1.2
66.40446	1.0
72.99277	1.6
81.03471	3.3
88.98753	2.1
89.02462	1.7
92.47121	1.3
93.03463	14.3
106.04244	2.2
107.05014	1.7
109.02955	5.8
111.00880	1.6
121.02957	45.8
123.04504	7.3
133.02977	14.5
151.04001	100.0
161.04695	1.5
165.05597	12.3
167.03494	42.7
181.04999	2.8
183.06670	1.9
191.05649	17.1
195.03001	47.5
205.59454	1.5
227.05608	17.1
240.44075	1.9
271.52283	1.3
344.12506	2.7
359.15170	1.8
371.52002	1.8
407.17120	6.5
521.27252	1.5
612.66791	1.5
629.22339	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51301	0.9
52.41352	1.0
56.57807	0.9
58.14241	0.9
59.01393	9.2
60.96740	1.0
64.57441	0.9
69.03450	4.1
70.56153	0.9
71.01389	4.5
73.02945	7.2
74.99104	7.6
83.05035	2.7
85.02944	1.9
85.45461	1.2
86.19700	1.2
88.98874	1.2
89.02484	4.0
93.03455	25.0
99.00883	2.3
99.04499	4.1
101.02447	2.4
107.05036	1.1
111.04523	30.9
113.02445	2.4
129.01909	1.1
134.03757	8.8
136.99153	8.1
137.02458	8.1
137.06155	1.6
155.03500	6.0
160.01675	20.9
161.02425	1.5
165.05629	4.8
166.05873	1.6
173.04565	14.2
175.04010	100.0
179.03482	1.7
191.05646	4.2
191.07204	1.2
193.05092	29.6
195.06473	1.8
235.06157	2.0
293.34598	1.1
307.14090	6.0
321.15588	2.4
340.44421	1.2
405.15042	1.5
406.15918	1.5
407.16025	1.8
442.99551	1.2
455.15686	45.0
473.16705	40.4
629.21063	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51301	0.9
52.41352	1.0
56.57807	0.9
58.14241	0.9
59.01393	9.2
60.96740	1.0
64.57441	0.9
69.03450	4.1
70.56153	0.9
71.01389	4.5
73.02945	7.2
74.99104	7.6
83.05035	2.7
85.02944	1.9
85.45461	1.2
86.19700	1.2
88.98874	1.2
89.02484	4.0
93.03455	25.0
99.00883	2.3
99.04499	4.1
101.02447	2.4
107.05036	1.1
111.04523	30.9
113.02445	2.4
129.01909	1.1
134.03757	8.8
136.99153	8.1
137.02458	8.1
137.06155	1.6
155.03500	6.0
160.01675	20.9
161.02425	1.5
165.05629	4.8
166.05873	1.6
173.04565	14.2
175.04010	100.0
179.03482	1.7
191.05646	4.2
191.07204	1.2
193.05092	29.6
195.06473	1.8
235.06157	2.0
293.34598	1.1
307.14090	6.0
321.15588	2.4
340.44421	1.2
405.15042	1.5
406.15918	1.5
407.16025	1.8
442.99551	1.2
455.15686	45.0
473.16705	40.4
629.21063	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59072	1.0
78.16876	0.9
102.59074	1.0
118.40517	1.0
120.86515	1.0
126.79639	1.2
162.03210	2.3
175.81607	1.1
177.05577	4.2
178.02748	9.5
179.03465	14.1
180.04250	10.5
183.86388	1.0
188.04837	4.3
192.04108	1.6
193.05017	2.6
194.05843	15.5
195.06641	38.6
205.05095	11.7
206.05835	13.5
207.06557	1.9
221.08098	4.7
225.56198	1.1
234.05342	21.8
237.07703	1.9
247.37738	1.2
249.07697	100.0
267.08783	19.6
300.06400	2.3
301.06998	1.6
315.08762	27.8
330.11246	8.6
361.12976	5.8
413.83029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79420	1.3
59.01384	9.0
63.71798	1.3
66.21069	1.5
71.01393	7.2
75.00870	10.1
85.02964	1.9
87.90538	1.4
89.02441	3.6
96.91971	1.6
101.02448	6.5
109.73898	1.8
113.02401	3.0
119.03470	2.7
121.02953	3.0
122.03749	2.3
135.04460	1.9
135.57031	1.9
137.02458	6.3
146.16061	1.6
147.00868	2.3
163.04027	2.7
165.01921	64.5
166.02750	6.0
178.02620	2.5
179.03490	18.8
179.73270	1.8
180.04306	38.4
181.05066	7.4
190.06375	7.5
191.07150	1.8
192.04268	3.1
193.05023	8.0
194.05762	2.9
195.06616	7.7
205.04964	1.7
205.08638	7.3
207.06589	2.4
208.07445	7.7
222.09023	3.5
224.46503	1.6
237.75018	1.8
239.05646	12.7
247.06104	6.2
248.06345	4.0
249.06657	2.7
265.07120	2.1
332.30417	1.7
345.13354	1.7
359.14926	8.7
404.70560	1.6
411.40167	2.1
431.17340	11.7
537.17133	2.0
567.22443	100.0
569.27783	3.2
629.22968	6.3
629.32874	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2249
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
51.89720	0.9
59.01384	100.0
67.90690	1.1
71.01380	42.7
72.99304	1.9
73.40808	1.1
75.63631	1.1
76.17542	0.9
78.17783	1.0
82.62502	0.9
83.01363	1.9
85.02950	7.0
87.00875	1.4
89.02441	55.6
95.01370	1.8
97.02944	8.4
101.02436	26.1
103.16406	1.1
113.02445	19.0
115.03242	1.4
115.04003	36.6
119.03494	27.9
119.04344	1.3
131.03445	1.5
143.03551	1.7
157.43047	1.1
161.04572	4.9
167.43637	1.2
179.05618	28.2
323.21075	1.1
349.12427	1.1
369.13657	1.3
523.96008	1.2
531.18793	40.8
629.21576	10.9
634.74634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47890	0.6
61.05591	0.7
71.01367	1.0
71.49864	0.7
123.04473	1.0
134.03661	1.0
134.16069	0.7
135.04523	1.1
148.36229	0.7
149.06050	1.3
150.03239	1.7
151.67206	0.8
162.03159	3.0
164.04781	1.5
177.05550	4.2
178.02766	8.8
179.03503	11.5
179.07085	0.7
180.04271	9.3
187.03909	0.9
188.04807	4.0
193.05057	4.6
194.05865	13.8
195.04861	1.4
195.06627	37.8
203.07210	1.5
205.05063	7.4
206.05835	12.3
207.06642	3.0
210.78825	0.7
221.08183	7.0
234.05330	21.8
237.07761	3.0
249.07687	100.0
267.08752	22.0
278.42230	0.8
300.06369	3.7
300.09778	1.2
301.07242	4.1
315.08789	25.7
316.09564	0.9
330.11023	7.8
361.13010	7.9
399.58362	0.9
629.22589	1.5
629.32629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2282
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
54.66610	1.5
60.40638	1.7
66.55966	1.6
71.74387	1.7
75.95393	1.5
91.61111	1.8
99.92578	12.3
100.93358	10.8
108.91817	1.7
115.92072	23.1
116.40366	1.9
116.92850	100.0
119.78727	1.8
126.37108	1.9
133.00433	1.7
138.74649	2.0
142.94398	2.7
170.93895	8.4
221.44289	2.3
279.23270	3.2
293.21243	8.8
294.21738	4.3
339.17334	1.9
412.76089	2.0
611.21857	9.8
629.22614	59.2
629.31769	3.6
656.39484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88371	1.9
59.01381	97.9
61.43144	1.8
65.02170	1.8
70.04565	1.8
71.01008	3.4
71.01380	58.1
72.99311	2.7
74.47342	1.8
76.40475	1.7
85.02951	4.2
85.90894	1.9
87.00893	2.7
89.02436	100.0
93.03425	2.1
95.01400	2.8
101.02444	32.1
113.02423	28.8
116.27779	2.0
119.03477	41.0
131.03467	2.8
143.03477	6.6
145.02953	4.6
161.02411	3.2
161.04596	9.5
162.03212	20.2
165.05542	2.5
177.05507	15.2
179.05606	78.0
180.41696	2.0
191.05577	4.5
195.06718	2.5
196.07349	9.5
211.09743	4.7
223.47008	2.0
263.62540	1.9
295.20880	2.5
336.44943	1.9
357.11938	4.2
367.10312	3.1
469.68671	2.0
491.67294	2.2
551.21417	3.3
569.22461	22.5
629.19220	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83327	0.9
54.49298	0.8
58.99463	0.9
59.01382	16.3
60.99294	9.6
61.08442	0.9
71.01369	6.8
74.99084	1.7
85.02946	1.3
87.00884	1.7
88.98800	64.8
89.02440	9.5
92.23042	1.2
99.22859	1.1
101.02422	7.4
113.02450	5.2
119.03495	1.8
136.99005	1.2
138.51242	1.0
151.11288	4.4
155.37325	1.1
161.04712	1.1
169.12341	30.0
171.10275	72.3
171.11751	2.5
197.22566	1.2
213.11397	6.6
231.12399	10.9
397.13315	1.3
535.96954	1.4
629.26770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26532	0.6
54.23752	0.7
59.01360	4.8
66.34818	0.8
71.01386	6.9
71.54996	0.7
73.02939	1.2
83.06357	0.9
85.02951	2.0
89.02413	1.5
99.00854	1.3
101.02431	7.5
110.81918	0.8
113.02402	3.3
114.44948	0.8
121.02975	0.9
147.04478	5.0
149.02448	30.9
161.04515	1.0
164.04797	85.5
179.07126	8.2
186.12877	0.8
190.02748	10.5
205.05067	12.7
223.06134	100.0
389.74612	0.9
405.21405	1.3
438.25702	1.0
521.91785	1.1
614.21356	1.0
629.27869	41.8
629.36627	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45899	0.9
59.01385	1.8
61.98824	1.1
62.82177	1.0
69.27023	1.2
71.01376	2.8
73.02935	1.8
82.60226	1.0
85.02975	1.4
101.02426	4.9
113.02413	1.9
113.75282	1.3
121.02898	1.4
132.88994	1.4
147.04501	5.4
149.02432	34.9
164.04790	94.8
166.50940	1.4
179.07080	8.7
190.02748	12.0
205.05049	12.3
208.03709	2.1
223.06120	100.0
283.06110	11.8
285.07660	1.4
497.98334	1.4
629.28375	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
57.22436	1.2
59.01110	1.9
59.01386	44.7
59.01677	2.2
66.51792	1.3
71.01373	8.9
73.02943	3.6
85.02914	1.5
87.00863	3.1
89.02453	14.1
96.60213	1.4
96.96017	5.9
97.06586	1.8
99.00882	20.5
101.02438	7.0
113.02431	9.6
119.03471	3.0
120.05819	1.5
131.03508	2.4
143.03482	1.4
161.04433	1.8
161.09698	11.3
161.13333	2.4
163.03987	1.5
163.11263	2.4
187.11256	10.1
189.09131	1.6
191.05632	7.0
205.12315	1.5
207.10312	2.8
223.13361	6.9
247.71442	1.6
283.06082	6.0
329.67188	1.7
330.24979	1.4
335.22098	2.8
379.16220	5.8
484.32462	1.5
544.29034	1.8
629.28345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47649	4.0
59.01374	6.5
59.08830	4.4
67.14658	4.9
76.28072	4.6
87.00868	9.6
94.15331	4.6
94.71561	5.3
97.69189	4.5
105.01926	100.0
140.09227	5.7
166.24530	5.2
249.35226	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37397	0.8
59.01370	6.4
71.01366	6.8
72.99330	0.9
73.02923	0.9
75.89205	0.7
79.90828	0.7
83.09562	0.7
83.75302	0.7
85.02951	3.6
89.02429	6.8
92.23097	0.9
97.02870	0.7
101.02439	6.2
113.02425	3.2
115.03975	4.7
119.03478	1.8
121.17555	0.9
135.86684	0.7
151.91315	0.7
155.45264	0.7
181.05042	0.8
205.05002	1.4
351.21753	15.0
369.18445	1.1
369.22845	25.0
531.28125	100.0
567.27167	0.9
629.32251	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83998	0.3
59.01370	0.6
71.01375	1.0
85.02959	0.5
89.02430	0.6
96.96022	0.5
99.08150	21.0
101.02402	0.5
103.63503	0.4
124.38380	0.4
136.08057	0.4
145.08701	100.0
249.07709	1.0
581.00934	0.6
629.31805	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.4
64.14213	0.8
71.01385	19.3
73.02944	6.5
80.09088	0.9
80.96500	1.1
83.01389	1.6
85.02941	6.6
87.00835	1.2
89.02443	11.7
99.00863	13.9
101.02432	16.1
113.02425	15.8
119.03498	1.1
161.04639	2.5
185.50415	1.0
186.83400	1.0
191.05632	1.6
251.18144	5.0
297.18579	2.0
315.19662	2.1
317.21301	3.9
335.22308	87.8
364.60480	1.1
390.52747	1.1
497.28061	2.0
629.31934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3547
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
53.99818	0.7
59.01381	41.8
59.82266	0.7
63.16175	0.8
71.01376	25.1
71.01738	1.6
73.02924	2.0
83.01389	1.5
85.02939	6.9
89.02437	25.9
101.02433	17.7
101.24717	0.9
113.02438	10.4
119.02784	0.9
119.03457	6.6
152.99573	1.3
153.36896	1.0
154.46335	0.9
172.17545	0.9
234.88789	0.9
238.02588	1.0
251.72424	1.3
283.09784	5.9
313.24002	1.3
629.35797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3554
Annotation	3,13-Di-O-beta-D-glucopyranosilgeranyllinalol
Peak:m/z	Relative Intensity
50.85145	0.9
50.95370	0.9
52.29189	1.4
55.01862	2.2
57.03445	1.3
59.01385	25.0
59.42708	1.0
62.31921	1.0
71.01375	35.1
73.02937	10.9
74.54294	1.0
83.01380	6.2
85.02952	15.8
87.00872	2.4
89.02426	7.5
94.61411	1.1
95.01351	1.5
96.96008	1.2
99.00867	2.4
101.02441	29.3
113.02451	20.3
119.03471	1.5
143.03444	1.6
151.07617	1.6
159.03001	1.9
161.04636	8.5
181.86824	1.3
234.78497	1.3
239.97739	1.2
285.12592	1.4
307.19464	1.3
351.87668	1.4
467.29770	2.2
507.80975	1.5
585.32318	4.2
629.35565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4068
Annotation	fomitoside F
Peak:m/z	Relative Intensity
74.47025	0.5
78.24410	0.4
134.49541	0.5
174.58908	0.5
262.21967	0.6
322.82120	0.6
390.77438	0.6
629.40680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85394	0.7
109.04565	0.9
129.10352	1.7
130.08725	1.0
140.07117	1.4
173.81541	0.8
195.41983	0.9
207.15005	1.2
210.18251	1.0
213.19724	5.7
235.66536	0.8
242.18723	1.8
269.98135	0.8
270.21878	1.1
282.19324	1.9
283.17661	1.6
300.20404	1.2
311.24512	9.2
311.33139	0.9
356.26779	10.3
366.28711	1.2
396.26202	1.0
421.35440	4.5
439.36514	6.5
506.40546	1.2
549.45135	3.7
593.44061	100.0
629.41669	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.9
51.74488	1.0
59.01384	100.0
59.48846	1.2
76.40538	1.4
77.30000	1.1
100.93378	1.5
115.92136	2.9
139.09976	1.4
255.23314	28.0
390.64410	1.6
516.87952	1.3
629.43286	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17848	1.3
59.01378	6.9
67.23383	1.1
72.00418	1.2
78.95918	2.2
85.79887	1.2
146.93588	1.4
259.24487	5.3
303.23361	39.4
410.82819	1.4
629.45563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.18204	2.7
84.43782	3.6
102.89270	3.1
117.95179	3.3
122.67317	3.5
162.23782	3.2
527.54852	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50568	0.4
59.01380	0.4
60.49294	0.4
67.97423	0.4
89.95916	0.4
94.80950	0.5
96.03858	0.4
102.35040	0.4
109.86494	0.5
144.04599	0.8
146.03778	0.6
160.04022	5.7
161.04771	0.5
162.05591	13.2
188.03554	1.6
252.06680	1.8
260.09235	0.7
268.06201	3.3
278.04294	0.5
280.06177	10.3
282.07684	1.0
292.06110	0.6
293.06989	0.8
294.07886	1.1
295.04816	1.8
296.05664	20.9
310.07251	13.5
311.08035	11.4
324.08694	1.8
326.10367	100.0
352.08084	1.9
370.09344	14.1
527.79999	0.5
532.14557	4.3
630.18268	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
72.88549	0.5
72.99309	8.0
103.24414	0.5
123.04519	1.9
134.02498	3.6
135.04472	1.7
155.04645	1.1
178.98680	0.5
179.03500	10.2
197.04564	29.9
219.18854	0.5
270.07739	100.0
287.46155	0.5
359.09854	31.9
424.76846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69536	0.6
55.82092	0.5
58.17574	0.6
61.98830	4.4
61.99240	0.5
83.76105	0.7
84.47886	0.7
89.33098	0.7
104.49674	0.8
120.72708	0.8
144.04501	1.0
146.10675	0.7
160.04036	6.1
162.05588	11.9
191.05725	0.8
252.06593	1.1
268.06244	1.8
280.06216	9.2
292.06244	1.2
296.05658	22.3
310.07233	12.5
311.07980	13.7
326.10367	100.0
352.08344	1.4
370.05170	1.2
370.09430	15.3
532.14862	4.1
630.18341	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23940	1.3
51.17939	0.9
58.03155	1.3
59.01361	1.2
82.91316	1.2
86.37720	1.1
91.61108	1.4
95.21581	1.5
104.81732	1.4
111.04472	1.5
111.77663	1.5
116.90066	1.1
149.84497	1.3
191.02243	6.9
192.03139	2.1
205.00203	2.3
206.04637	35.5
219.01671	1.4
220.02525	26.8
223.01181	15.3
234.04062	29.9
237.02855	1.7
251.00644	1.5
324.08661	1.6
326.10370	7.0
327.07510	21.9
342.09869	24.9
355.07019	11.1
360.92340	1.4
370.09357	100.0
615.53839	1.8
630.18353	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.199
Annotation	Unknow
Peak:m/z	Relative Intensity
87.52530	0.5
89.43250	0.5
101.02530	0.5
109.02950	16.4
132.04543	3.2
134.03680	0.7
135.04544	0.6
159.03218	2.0
160.04037	100.0
165.24257	0.6
171.02940	0.6
265.05084	6.8
266.05869	2.7
280.07510	4.4
281.08252	1.1
295.09692	3.2
316.06165	2.0
317.07187	0.6
329.06985	0.8
369.89157	0.5
438.09848	8.7
452.11295	0.7
453.12354	1.3
468.14563	79.7
630.19824	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33990	1.9
61.50812	2.1
61.98813	2.6
63.03304	1.9
70.08784	1.9
73.44256	1.9
87.74596	2.3
100.60928	2.1
101.15794	2.4
115.92014	2.8
116.92850	20.9
117.92850	11.6
123.87988	2.4
152.99565	2.7
297.24707	2.6
386.14026	12.7
428.14694	3.7
491.79800	2.5
510.19730	4.1
514.18555	10.8
539.23120	4.1
542.22528	4.3
554.25653	5.4
570.25024	14.0
571.25970	17.5
586.28204	90.1
630.27429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20723	1.8
51.52429	1.6
59.01104	2.1
59.01386	37.1
61.98832	100.0
71.01370	8.5
71.07407	1.6
73.02948	3.6
85.02940	3.0
89.02465	2.4
92.22377	2.2
99.00873	2.0
101.02441	11.9
113.02464	7.5
115.07684	1.9
119.42638	2.3
128.03244	2.0
154.47704	1.8
309.53403	2.1
322.33963	2.2
329.04031	2.3
333.18460	2.1
463.26752	2.6
470.19968	2.0
481.28250	7.9
513.07538	2.2
523.29175	60.2
547.59229	2.3
630.27448	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18029	3.0
61.98833	100.0
81.99757	2.4
88.02666	2.5
92.52530	2.6
92.80464	2.8
101.09186	2.6
102.06966	3.1
258.05328	3.1
643.88275	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66919	0.4
68.71037	0.3
69.14499	0.4
71.01366	0.6
85.02959	0.9
93.03493	0.5
101.02415	1.6
108.02163	22.7
109.02946	12.2
113.02439	1.8
121.02954	0.4
131.04599	0.6
135.04488	0.4
151.04007	1.8
151.05101	0.6
152.01151	49.8
153.01935	28.4
163.04022	0.9
165.01932	2.5
179.03494	0.6
191.05637	14.4
251.20096	0.4
261.88513	0.4
315.07266	100.0
316.07632	0.6
631.18408	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.3
90.38488	0.5
101.02424	1.0
101.94767	0.6
108.02168	23.5
108.02875	1.2
109.02937	14.3
113.02468	0.9
121.02937	0.8
151.03896	1.6
152.01151	47.8
153.00644	0.9
153.01926	25.1
163.04088	0.9
165.01891	2.5
204.33563	0.6
225.03973	0.6
249.51639	0.6
312.49792	0.6
315.07257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
71.01395	1.2
71.86381	0.6
94.26575	0.6
108.02171	22.3
109.02940	13.6
110.57864	0.6
113.02388	1.0
115.00374	1.1
121.02937	0.7
121.41821	0.7
142.43816	0.6
151.03966	1.3
152.01144	52.1
153.01917	28.8
163.03941	1.0
163.34480	0.6
165.01915	0.9
191.05658	5.6
195.06566	1.1
206.93602	0.7
212.46976	0.7
214.13911	0.7
264.68228	0.9
315.07254	100.0
321.80389	0.7
506.35342	0.8
618.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.6
71.01376	39.5
72.99306	2.2
74.36552	1.5
79.00176	1.7
81.03443	1.7
85.02956	3.7
90.15494	1.9
95.01385	34.6
96.96036	3.0
97.02942	11.1
99.04536	2.6
101.02404	3.6
105.20831	1.7
109.02969	2.8
113.02450	3.7
115.00354	21.7
115.04000	9.3
123.00900	3.8
124.01630	2.4
125.02431	33.2
127.04036	3.3
129.76546	1.8
135.00897	2.1
136.00697	1.7
137.02443	10.8
139.00446	2.0
141.09172	4.0
150.03197	2.2
153.01920	25.6
155.03528	2.7
164.04729	2.5
165.05530	2.4
166.02675	3.5
166.99846	7.6
169.08630	2.2
176.04822	2.7
179.03340	2.7
181.05069	21.0
182.05847	100.0
185.08202	10.3
195.06589	3.1
196.07422	10.1
197.00934	41.0
197.08208	84.3
205.05103	7.8
207.06630	1.9
208.07390	2.8
209.11746	1.9
218.05861	1.9
223.09737	2.1
246.05228	2.4
248.06947	8.9
251.09366	15.9
259.08237	16.9
261.07660	2.8
263.09277	2.3
315.08707	2.4
325.26346	2.0
351.10797	12.4
371.11249	2.8
371.20798	11.6
395.09875	11.4
445.21021	2.3
459.16718	24.6
471.16599	4.4
587.17902	3.5
631.20465	3.1
631.30566	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30453	2.9
55.19188	2.7
55.88034	2.8
59.01342	4.5
72.99310	6.2
83.05035	12.9
85.22813	2.8
86.70412	2.8
110.56573	3.9
111.04505	21.4
116.98764	3.9
117.18422	3.1
127.04006	58.7
137.02463	4.6
145.02951	17.9
150.76585	3.3
155.03516	66.1
155.25166	3.3
191.05600	4.2
199.02496	50.1
217.03534	100.0
304.52170	4.0
409.14752	14.2
507.25824	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09764	1.0
57.64319	1.2
72.99296	26.2
89.96079	1.1
123.00826	1.9
123.04543	11.2
129.88382	1.3
133.01357	2.4
135.04494	16.2
136.69670	1.2
138.03226	2.8
153.05556	2.4
179.03490	22.5
182.02197	20.7
197.04555	100.0
223.58386	1.3
244.14944	1.4
253.00354	1.9
288.29996	1.6
289.72534	1.3
298.71136	1.3
308.99573	2.2
433.04572	2.6
433.13538	56.3
598.95367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26083	0.2
50.29469	0.2
55.61806	0.3
59.08705	0.2
76.21717	0.2
135.04530	2.9
143.43932	0.3
143.63660	0.3
152.01204	0.5
161.02420	3.1
173.04553	1.6
179.03513	9.5
191.05629	100.0
207.10251	1.0
233.08208	0.5
277.07251	0.4
315.07275	0.7
353.08847	2.5
501.97836	0.3
541.15735	0.4
571.16791	2.9
631.18921	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51717	0.7
59.01376	1.9
62.72100	0.8
64.89783	0.8
71.01363	1.9
71.60336	0.7
74.37394	0.9
75.00873	0.9
89.02441	1.3
99.00838	1.2
101.02455	0.9
107.92458	0.8
111.00875	2.2
112.19924	0.9
117.03430	3.6
119.05014	45.5
120.61075	1.0
145.02956	26.0
149.02400	1.8
163.04015	49.6
164.04800	7.1
165.05582	1.2
175.00404	3.6
176.01114	3.2
177.05481	1.7
183.10294	1.6
189.50356	1.0
190.02725	32.4
191.03522	10.1
205.05075	60.7
208.03748	1.9
211.59164	0.9
219.57080	0.9
223.06064	7.7
265.07291	1.0
308.06714	1.1
323.09222	1.3
353.10217	4.5
380.08966	1.5
395.11429	3.5
415.39014	1.0
425.14786	1.4
467.15671	5.2
485.16617	1.0
613.19202	2.2
631.20343	100.0
631.27960	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20785	0.6
59.01380	8.4
59.09877	0.6
69.82446	0.6
71.01363	3.2
73.02934	0.8
81.62886	0.7
82.85127	0.7
85.02950	1.4
87.00864	0.7
89.02430	1.7
94.61926	0.7
101.02444	1.3
111.36911	0.7
113.02450	1.5
117.03465	5.1
119.05005	3.0
126.68076	0.8
127.55448	0.7
132.02144	2.9
133.02939	1.4
134.03738	64.8
135.04459	5.4
145.02914	1.6
148.05302	1.2
149.06090	12.7
160.01653	47.0
161.02422	11.6
163.04024	1.7
166.41226	0.8
175.04001	96.0
177.05605	0.9
178.02716	4.6
179.03493	1.8
190.02817	1.4
193.05057	45.6
205.05081	3.6
247.05600	0.8
285.07700	17.5
437.14560	11.2
447.68710	0.8
455.15497	3.2
527.32111	3.4
545.33838	0.9
587.34705	1.3
593.18817	4.7
631.20422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18312	1.0
59.01373	2.4
65.19692	0.9
67.45843	0.9
71.01374	2.0
72.66675	1.1
73.02937	1.5
78.45057	0.9
89.12542	0.9
92.10465	0.9
93.12978	1.0
96.96017	1.6
97.02917	1.3
98.00049	1.5
101.02434	2.2
109.02897	1.1
111.00864	2.3
115.03991	4.8
116.92837	6.4
120.99586	1.3
123.00839	7.0
124.01620	5.0
134.03699	1.0
134.82193	1.1
136.01628	1.6
137.07050	1.1
142.69646	1.0
154.54968	1.2
161.02414	2.5
163.04027	4.6
171.10268	1.2
175.04005	8.6
176.04736	6.1
189.05611	1.4
190.02730	9.2
191.03455	1.7
191.07170	7.0
204.04218	6.8
205.05063	50.0
208.03786	1.9
235.06213	1.6
312.10110	4.3
327.08795	3.8
327.12463	4.8
341.06607	6.0
348.88815	1.4
355.08273	6.5
356.09061	57.4
357.09698	5.0
371.11374	100.0
461.47717	1.3
476.68307	1.2
533.16681	44.1
631.20398	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56168	2.6
55.74706	1.7
59.01380	94.8
62.93637	2.1
69.23569	2.6
71.01376	37.0
73.02941	54.1
76.13707	2.1
83.05014	3.7
83.72830	1.9
85.02951	25.8
87.00867	3.8
88.40202	2.1
88.61152	2.1
89.02436	67.0
91.66539	2.1
93.03451	47.3
99.00873	9.6
99.04511	3.6
101.02433	63.8
103.04003	22.4
110.63818	2.2
111.04521	30.6
113.02425	14.0
115.00417	2.4
115.03979	13.7
118.47441	2.1
119.03493	15.4
125.02428	11.0
129.01941	4.3
131.03510	29.0
137.02422	28.3
143.03522	27.0
145.05061	2.9
149.04543	19.6
155.03491	15.1
163.06129	65.7
173.04541	78.4
191.05638	26.3
205.07155	14.7
233.06705	4.3
265.09369	22.8
295.10413	20.5
307.10358	100.0
355.12372	3.6
439.14954	4.2
457.15811	20.3
631.18182	23.6
652.98035	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.6
62.26833	0.3
63.43698	0.3
71.01375	0.7
75.38100	0.4
85.02946	2.8
85.19316	0.4
93.03452	0.6
103.00368	9.6
103.04011	0.8
108.02157	2.8
109.02959	2.2
109.29257	0.4
115.03975	0.5
125.66685	0.4
130.08754	0.6
130.38591	0.4
133.05070	11.5
134.47464	0.5
135.04486	0.9
149.46227	0.5
152.01126	6.9
153.01903	4.0
157.07663	0.7
161.02477	0.5
165.02040	0.4
173.04570	2.5
175.06052	3.1
179.03510	3.9
191.05627	100.0
219.05186	1.6
219.07762	0.6
228.20647	0.4
230.01247	0.4
300.09601	0.4
315.07266	14.4
315.77362	0.5
353.08835	0.9
553.37109	0.5
631.18878	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.6
62.26833	0.3
63.43698	0.3
71.01375	0.7
75.38100	0.4
85.02946	2.8
85.19316	0.4
93.03452	0.6
103.00368	9.6
103.04011	0.8
108.02157	2.8
109.02959	2.2
109.29257	0.4
115.03975	0.5
125.66685	0.4
130.08754	0.6
130.38591	0.4
133.05070	11.5
134.47464	0.5
135.04486	0.9
149.46227	0.5
152.01126	6.9
153.01903	4.0
157.07663	0.7
161.02477	0.5
165.02040	0.4
173.04570	2.5
175.06052	3.1
179.03510	3.9
191.05627	100.0
219.05186	1.6
219.07762	0.6
228.20647	0.4
230.01247	0.4
300.09601	0.4
315.07266	14.4
315.77362	0.5
353.08835	0.9
553.37109	0.5
631.18878	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77114	0.8
53.91130	0.7
56.03273	0.8
59.01385	4.1
71.01376	4.0
73.02943	0.8
76.27454	0.8
85.02903	1.1
89.02457	1.6
90.04259	0.8
101.02423	5.3
113.02457	3.8
120.83892	0.8
149.02457	11.5
150.03215	1.1
164.04797	34.8
172.30832	0.9
175.00366	3.2
179.07130	3.8
180.04324	0.9
190.02739	53.2
191.03653	1.1
195.06593	1.0
205.05070	80.3
209.04523	1.4
223.06119	25.8
265.07327	1.1
311.07758	1.3
312.10010	0.9
405.15918	0.9
469.16724	1.0
631.22626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.6
61.87511	0.3
66.40473	0.4
71.01379	1.5
74.37160	0.3
85.02937	0.7
87.59978	0.3
88.12310	0.3
93.03455	0.6
94.55387	0.3
97.86713	0.3
101.02452	1.6
113.02438	1.6
117.03455	2.2
119.05024	4.1
145.02951	100.0
159.03093	0.3
161.04590	0.6
163.04010	15.3
173.04562	0.4
177.05559	0.5
191.05600	4.1
200.26125	0.4
229.54010	0.3
367.10278	0.7
409.15079	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99242	0.5
75.82432	0.5
92.23061	0.5
123.04517	22.5
128.79195	0.5
130.79610	0.5
140.99515	0.4
153.05576	100.0
154.05931	2.3
197.25153	0.4
252.59064	0.5
315.10901	33.3
316.11130	1.0
317.11060	0.7
496.06836	0.6
658.38934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30284	0.5
64.27825	0.4
71.01382	1.0
71.69376	0.4
101.02441	0.9
106.94177	0.5
113.02441	0.9
117.03426	3.0
118.23399	0.4
119.05017	5.6
145.02954	100.0
158.70410	0.4
161.04535	0.6
163.04024	16.4
163.05360	1.0
177.45058	0.5
409.15088	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96245	0.5
59.01383	9.4
59.65356	0.7
71.01394	0.9
76.60715	0.6
89.02435	0.6
95.38140	0.6
96.07713	0.7
101.02410	0.8
113.02467	1.0
117.03456	3.0
119.05042	5.2
145.02946	100.0
162.22993	0.7
163.04025	17.6
175.77258	0.6
205.05000	1.0
238.28410	0.8
255.97141	0.9
290.15714	0.7
409.15088	87.9
469.17178	1.4
488.12772	0.8
578.52747	0.7
651.87665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64909	0.6
59.01398	0.9
74.77834	0.6
79.99642	0.8
81.65413	0.7
89.02452	0.8
92.22572	0.7
98.10250	0.7
117.03458	1.3
119.05017	4.4
145.02948	100.0
163.04030	13.8
173.04523	0.8
191.05627	0.9
193.47635	0.8
201.71239	0.7
205.05037	1.0
214.54088	0.6
325.71106	0.9
342.14447	0.9
373.61444	0.9
409.15085	74.9
485.12408	0.8
631.21875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
70.20827	0.5
71.01408	0.8
78.31881	0.6
85.02970	0.6
101.02426	0.9
110.90743	0.7
117.03410	1.9
119.05006	4.4
127.89938	0.5
145.02957	100.0
163.04012	16.5
173.04660	0.6
191.05632	3.0
191.79324	0.6
265.99979	0.5
367.10294	0.9
409.15115	69.8
464.79932	0.6
503.62445	0.6
645.68884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
77.29540	0.7
77.94855	0.8
90.37904	0.7
99.06498	0.7
131.29697	0.7
150.03241	3.9
165.05556	15.7
177.01897	0.7
181.05106	7.9
182.05890	13.1
192.04291	1.1
195.06573	7.8
196.07452	9.0
197.08212	49.0
207.06691	6.8
208.07434	23.5
208.09390	0.7
223.09789	11.2
236.06911	11.2
239.09230	3.4
251.09273	100.0
269.07571	1.1
269.10367	25.3
285.07632	1.4
300.06339	3.2
300.09805	2.2
301.07242	3.2
315.08765	36.4
316.09546	1.7
330.11093	11.1
331.11856	1.3
361.12964	14.0
429.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
60.54038	1.8
70.65050	1.4
71.01357	2.3
71.36140	1.3
84.31394	1.5
89.02433	1.7
90.45668	1.5
127.03952	2.1
149.02403	13.5
150.03236	36.1
161.02440	21.2
164.04816	7.9
165.01929	4.3
165.04239	2.9
165.05574	64.5
171.10272	8.2
176.04816	29.6
179.03502	31.9
179.07104	3.0
180.04301	14.9
191.07115	14.1
194.05861	97.0
194.07663	3.2
195.06657	46.3
199.61299	1.8
209.08211	100.0
211.06158	1.7
215.12837	1.7
221.08417	2.0
222.25204	1.7
225.07680	2.5
343.11819	4.2
373.13019	25.6
421.15048	45.5
512.07703	1.9
583.21973	7.8
631.23975	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12991	0.3
51.80733	0.3
72.70228	0.3
73.02949	0.7
82.43080	0.4
90.37003	0.4
99.00869	0.4
99.08720	0.4
99.92575	3.2
103.70240	0.4
115.03977	0.7
116.92853	100.0
117.01905	3.9
288.90604	0.5
631.37341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49667	2.5
52.95629	2.3
54.14837	2.4
59.01390	47.4
61.98839	5.9
71.01374	17.4
73.02940	16.9
78.95898	5.0
79.58703	2.7
83.01395	4.2
85.02959	4.0
89.02405	5.7
97.05337	2.6
101.02482	20.3
112.54971	2.5
113.02441	5.8
119.03590	5.2
150.78117	2.9
152.99603	5.5
201.09244	5.4
241.12329	4.3
256.14703	45.5
281.15497	10.9
327.19659	3.3
339.23581	3.8
340.20508	4.4
409.27664	5.7
427.28384	5.4
562.27899	23.5
571.32733	30.7
589.33759	37.3
631.35211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00139	4.9
55.17278	5.4
59.01388	7.6
61.98850	5.8
65.03970	11.5
71.05017	9.0
74.41385	5.3
79.46057	5.0
80.44216	5.5
83.05073	6.9
90.23225	5.7
95.05018	10.4
97.06608	39.2
113.06054	8.0
121.06570	31.9
123.70674	5.2
125.09701	34.9
159.50488	5.8
185.11855	63.7
209.11824	55.5
211.13405	27.6
220.20259	6.2
235.13443	41.1
235.30090	6.2
307.19229	100.0
323.18567	56.1
619.54950	7.3
631.32947	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4013
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
52.06535	0.3
53.66639	0.3
59.01357	0.3
65.70770	0.4
87.81087	0.4
89.49448	0.4
90.92572	0.4
117.03471	3.1
118.04205	1.8
121.02949	2.4
123.04502	0.6
126.86782	0.5
132.05806	23.4
134.03795	0.7
145.02953	46.7
146.03664	0.6
162.03195	2.1
175.04007	2.3
205.29962	0.4
254.25854	0.4
307.36407	0.4
390.68436	0.4
474.36099	0.4
475.75397	0.5
532.27094	0.4
537.54462	0.5
631.40125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66259	0.2
77.82938	0.3
82.28686	0.3
106.15238	0.3
117.03476	3.1
118.04247	2.0
121.02949	1.9
132.05815	22.1
134.03716	1.3
145.02957	46.3
146.03741	1.4
162.03165	2.4
175.04010	1.9
187.53056	0.4
306.74466	0.4
339.43936	0.4
403.71985	0.4
631.40131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94091	1.3
56.88585	1.3
59.01380	2.6
63.04530	1.3
64.62766	1.4
92.20029	1.3
96.19561	1.4
97.06562	1.6
113.09721	1.6
121.69519	1.6
149.27512	1.6
153.12845	1.6
171.10295	6.7
193.05103	1.8
193.12334	2.8
197.11868	9.2
199.13393	3.4
211.13467	15.5
293.21265	16.2
311.22333	100.0
631.38446	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12862	0.8
61.98835	100.0
84.48032	0.9
92.83311	0.8
104.38072	0.8
115.21240	0.9
628.55798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03808	2.8
53.47749	2.5
54.95788	2.7
61.98832	100.0
67.38084	2.8
68.20233	2.6
74.36799	2.9
74.39348	2.6
92.22475	3.8
114.76097	3.5
122.98479	3.9
141.25931	3.1
183.35434	3.1
348.84567	3.4
350.14282	3.1
568.57983	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
65.40159	0.4
67.41502	0.5
74.28171	0.4
112.85942	0.5
116.78804	0.5
116.92844	0.5
121.10678	0.7
277.21747	100.0
314.72058	0.5
566.98657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47385	1.5
59.01387	24.0
64.00155	1.4
68.78527	1.7
71.01388	21.5
73.02935	2.2
85.02933	2.8
89.02439	33.7
89.02961	2.8
89.29707	1.6
99.00853	19.7
101.02406	3.5
113.02451	3.0
115.00353	3.0
118.02941	3.0
125.02440	16.9
131.03485	3.2
133.01451	13.7
144.04546	39.5
146.02467	62.7
158.06076	11.1
160.04018	11.1
162.05609	2.1
172.03995	7.5
174.05597	8.9
186.05585	3.9
188.07143	7.5
191.05560	2.3
198.05629	7.7
203.05756	2.2
210.05637	2.8
214.33202	1.7
216.06638	56.4
218.04599	9.3
228.06647	7.9
233.06670	3.2
265.85135	1.7
294.02737	1.7
319.87466	1.9
347.51144	1.8
348.10852	21.3
387.95193	1.8
390.44095	1.9
455.77856	2.3
496.93356	1.9
570.18134	6.7
572.16235	55.9
588.19299	2.5
614.17004	8.4
632.18365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42857	2.8
55.09971	3.1
56.20619	2.6
59.01384	24.6
71.01376	19.7
73.02931	3.4
75.61124	3.0
78.64532	2.8
89.02441	32.5
94.76223	3.3
95.80935	2.8
99.00872	18.6
101.02451	3.3
110.11668	3.1
113.02438	3.9
114.42883	3.1
118.02974	5.7
125.02460	5.2
144.04535	36.9
146.02486	59.1
151.07028	3.6
158.06076	7.6
160.04063	16.3
174.05597	5.9
178.12701	3.3
186.05591	6.1
196.28624	3.6
197.04555	8.0
198.05399	3.8
216.06685	45.3
218.04482	5.4
228.06671	5.7
275.36920	3.1
347.74460	3.6
348.10934	28.0
360.62274	3.6
412.94052	3.7
423.98169	4.0
457.47797	3.0
543.40808	3.4
551.48663	3.6
570.17346	3.3
572.16290	48.5
614.17273	5.2
632.18445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25303	0.7
59.01382	18.8
66.66237	0.8
69.03455	0.9
71.01380	16.9
73.02927	1.9
82.92417	0.9
85.02937	3.6
89.02438	27.9
89.97151	0.8
92.21135	0.9
99.00875	14.4
101.02433	4.6
113.02386	3.8
116.09290	1.0
118.02915	1.6
125.02416	10.3
130.06638	1.6
131.03497	2.1
144.03477	1.7
144.04552	31.8
146.01402	1.4
146.02487	38.4
146.06113	1.3
149.04549	1.3
154.06625	1.5
158.06087	5.0
160.04039	8.7
162.05602	4.6
170.06082	1.8
172.04004	1.5
174.05566	7.8
174.26384	0.9
180.02000	0.9
186.05605	5.9
188.07196	6.8
191.05536	1.6
198.05620	5.6
203.05594	1.1
210.05634	1.5
212.07109	1.0
216.06671	48.8
218.04628	6.9
218.08170	1.6
228.06624	7.7
233.06635	2.2
252.06755	1.2
270.07632	1.3
348.10980	13.2
397.09375	0.9
425.13269	1.9
570.18109	3.9
572.16174	15.2
588.19678	2.1
589.83374	1.2
614.17609	8.1
632.18420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68143	1.5
56.31683	1.6
56.90342	1.3
59.01384	22.9
60.32289	1.3
61.39195	1.6
63.06331	1.5
71.01386	20.7
73.02966	2.1
85.02950	3.4
89.02440	39.1
91.82553	1.6
91.95145	1.8
97.02931	3.4
99.00896	16.7
101.02452	4.5
113.02427	3.3
114.98665	1.8
118.02981	8.2
125.02432	11.3
130.06648	2.0
131.03548	3.0
144.04564	30.6
146.02475	61.7
158.06125	9.4
160.04034	14.0
170.06129	2.8
172.04025	2.9
174.05583	9.3
186.05568	4.0
188.07225	2.8
198.05634	3.5
200.03557	3.0
200.07214	2.7
207.69432	1.8
216.06650	55.0
218.04524	9.3
228.06717	9.7
233.06775	2.7
296.09985	1.8
299.10339	1.9
348.10980	25.5
375.10355	2.0
570.18896	2.7
572.16351	48.8
588.19012	3.6
593.61273	2.0
614.17487	4.4
632.18427	100.0
632.51544	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96361	1.1
57.10623	1.0
59.01132	1.5
59.01382	18.3
68.93395	1.0
71.01379	15.8
73.02938	1.9
85.02935	1.7
89.02444	30.8
95.24660	1.3
97.02934	2.0
99.00886	16.1
99.20009	1.1
101.02445	5.1
113.01587	1.2
113.02451	5.1
115.04053	1.3
118.02985	5.8
122.30318	1.2
125.02428	14.0
131.03497	1.6
132.04485	1.6
134.06091	1.3
144.04543	30.1
146.02475	39.3
146.06102	1.4
158.06117	5.7
160.04025	7.4
172.04007	2.9
174.05594	9.9
184.07689	1.2
186.05612	3.0
188.03569	1.5
188.07224	6.4
191.05614	1.9
198.05591	5.3
203.05580	1.5
215.05722	1.3
216.06670	42.1
218.04597	4.8
218.08333	1.5
223.65741	1.3
227.96548	1.3
228.06671	6.4
280.62442	1.3
348.10983	12.6
570.18164	5.0
572.16162	14.0
614.17322	8.9
632.18408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00892	1.4
55.97351	1.4
58.96450	1.6
59.01384	21.1
69.29288	1.8
70.98518	1.4
71.01035	2.5
71.01373	20.8
73.02953	2.0
75.07482	1.4
81.03450	1.8
84.16058	1.6
85.02935	3.1
89.02442	42.9
93.22904	1.9
93.88664	1.7
99.00883	23.8
100.99966	1.8
101.02468	2.7
113.02441	2.9
118.02966	2.0
125.02434	15.0
133.01440	2.1
134.06071	2.0
144.04573	30.0
146.02478	58.1
158.06137	9.4
160.04086	13.7
161.54535	1.7
162.05515	2.0
172.04071	3.5
174.05598	8.8
186.05626	2.9
188.03674	2.3
188.07176	4.1
191.05806	2.6
197.04584	2.1
198.05618	6.6
210.05566	2.5
216.06671	51.6
218.04572	7.0
222.27112	1.8
222.70224	1.7
228.06578	12.0
233.06598	2.9
243.35146	1.7
344.20200	2.2
348.10980	18.9
454.67471	2.6
572.16113	39.8
614.17133	3.5
632.18457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17391	1.0
52.86525	1.0
52.89465	1.1
59.01384	18.5
59.36283	1.0
66.77179	1.1
71.01381	16.2
72.99278	1.5
73.02934	2.5
77.17114	1.1
79.23581	1.2
85.02937	4.9
89.02438	37.3
92.05040	1.2
97.02957	4.4
99.00871	19.1
99.15851	1.2
101.02437	7.5
109.49927	1.2
113.02454	1.8
113.12794	1.2
118.03001	2.7
125.02465	13.4
127.03920	1.4
144.04556	36.5
146.02489	46.1
153.05553	1.9
158.06096	7.8
160.04094	10.0
161.04558	1.8
170.06125	1.5
172.04033	2.5
174.05602	6.7
186.05592	7.3
188.07234	4.5
191.05559	5.0
198.05609	7.3
200.03508	2.0
200.07091	1.4
203.05611	1.5
210.05544	2.6
216.06665	52.3
218.04543	6.0
218.08260	1.5
220.06563	1.2
228.06677	7.5
233.06639	1.9
270.07654	1.5
327.90540	1.4
348.10904	15.8
366.11652	1.7
373.69183	1.5
425.12930	1.5
570.18494	5.2
572.16174	23.3
588.19434	1.6
614.17432	8.1
632.18445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89560	9.8
59.41181	10.5
64.10776	12.0
71.79734	9.8
79.86898	11.0
93.95069	12.9
112.49712	11.8
149.95833	13.6
218.42131	13.0
231.22412	11.9
274.51810	12.7
276.80960	13.9
293.37521	13.1
347.08032	16.7
416.14789	18.3
450.74832	13.5
490.18912	83.6
534.17664	100.0
613.67725	13.9
632.32642	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79982	0.3
57.51893	0.3
61.98833	100.0
62.90736	0.4
66.62595	0.4
83.00316	0.4
106.37006	0.4
165.85722	0.4
181.05193	0.5
182.05908	0.7
620.61340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.3
61.62906	2.5
61.98834	34.3
73.04095	3.0
89.02432	2.8
95.02509	3.3
97.84225	2.2
105.41221	2.6
110.24708	2.7
111.00852	3.0
130.06226	2.8
130.08603	2.8
151.08766	9.3
169.09851	11.1
186.12486	11.3
187.08374	14.6
207.15073	3.4
225.13519	4.2
226.12013	3.4
243.14636	32.0
281.20007	6.3
283.06140	17.7
299.20941	15.3
340.16031	3.1
356.23291	5.2
357.19037	9.9
396.22684	21.3
413.25214	26.3
452.28726	3.4
469.31519	14.1
566.33105	100.0
578.33148	3.1
596.33942	29.6
632.31769	53.2
656.44672	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	1.0
59.01385	0.5
61.98828	2.4
128.10817	12.9
130.08733	100.0
134.52568	0.5
139.77731	0.5
149.17059	0.6
149.83821	0.6
172.09828	6.1
260.49857	0.6
266.38309	0.5
322.20270	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20997	0.3
68.36066	0.3
69.05405	0.3
72.52283	0.3
74.34576	0.4
77.30251	0.3
79.95737	1.7
84.56456	0.3
96.96008	100.0
108.85522	0.4
127.88370	0.4
151.04128	0.4
152.02515	0.3
155.67357	0.3
207.06577	0.4
413.54782	0.4
517.01465	0.4
520.58569	0.4
645.86377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01337	0.3
57.98164	0.3
59.01373	0.4
66.08046	0.3
76.95152	0.3
87.92022	0.3
89.02464	0.4
96.92987	0.3
120.02178	0.4
123.04516	1.9
124.04846	0.5
133.01430	0.3
137.02438	0.6
153.05576	9.6
154.05923	3.8
155.06073	1.6
158.39409	0.3
163.00394	0.5
164.01161	24.2
165.01926	4.3
189.02016	0.5
190.99875	2.2
191.03513	9.1
192.00662	100.0
193.01425	7.6
201.01910	0.3
217.01320	2.4
219.02991	1.6
229.01447	0.5
247.02415	3.1
315.10797	2.3
316.11157	1.5
317.11496	2.4
633.16785	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1833
Annotation	Acacetin 7-(4'''-acetylrutinoside)
Peak:m/z	Relative Intensity
52.28249	0.1
59.01365	0.1
65.00331	0.1
65.36505	0.1
73.02980	0.1
75.40282	0.1
81.41205	0.1
117.03429	0.1
268.03790	43.0
281.04810	0.1
283.06140	100.0
311.18640	0.1
514.82288	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16001	0.3
55.87094	0.4
59.01365	0.8
68.38442	0.4
69.17905	0.4
96.95997	0.7
107.11369	0.4
124.64744	0.4
141.51968	0.4
144.10345	0.4
195.97090	0.4
268.03799	43.7
283.06143	100.0
633.20392	0.5
633.32776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31736	0.2
53.75443	0.1
54.30692	0.2
55.48938	0.2
56.22241	0.2
61.51934	0.2
63.45324	0.2
77.59711	0.2
84.55472	0.2
112.26816	0.2
129.12135	0.2
204.45503	0.2
225.74843	0.2
268.03784	38.8
274.59750	0.2
275.95157	0.2
281.04602	0.2
283.06134	100.0
433.13571	0.2
515.58179	0.3
633.18243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00985	1.2
59.01352	8.0
59.01616	1.4
68.95075	1.3
70.79877	1.2
71.01354	3.4
72.99303	88.9
89.02396	7.1
101.02396	5.8
117.03471	1.9
123.04514	27.5
134.03751	13.4
135.04514	38.3
151.03908	2.6
160.01683	1.9
161.02371	5.4
175.03902	7.9
179.03502	76.1
193.05052	33.7
197.04555	90.0
211.06047	1.7
217.05005	1.7
279.10168	7.9
282.08743	2.8
294.08829	7.5
297.11298	2.9
306.05090	3.0
308.06747	13.0
309.07422	6.1
314.81134	1.8
320.06931	2.9
321.07629	2.5
322.08450	2.7
323.05682	4.1
323.09201	30.5
324.09982	2.4
335.08820	2.6
336.09918	1.9
337.06909	1.7
338.07950	14.0
339.12268	2.9
341.09760	9.0
353.10303	33.4
359.09610	2.7
364.09204	3.0
365.06528	3.4
367.11874	1.8
380.09131	13.7
383.11057	10.1
395.11353	24.8
435.12646	5.8
457.13409	12.5
497.15643	1.7
603.21106	21.2
615.12531	1.5
615.20825	24.4
633.18530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.2
59.01375	24.5
64.33685	0.6
71.01373	21.1
74.01244	0.8
75.57687	0.7
85.02960	4.0
89.02431	36.0
89.02956	1.5
101.02422	15.4
111.00868	100.0
112.95467	0.8
113.02426	10.9
118.03803	0.8
119.03479	14.5
127.90493	0.8
128.03499	1.6
129.01926	3.8
131.03534	1.1
161.04543	2.0
171.36655	0.7
179.05605	28.3
183.56842	0.8
193.86420	0.9
239.80179	0.8
273.03848	3.1
291.07217	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61513	0.3
71.01372	7.6
72.99297	1.7
87.82018	0.3
89.02422	1.6
90.90945	0.4
92.02674	0.4
101.86621	0.3
102.14358	0.4
112.11071	0.4
115.00361	38.7
123.49423	0.4
133.01422	100.0
203.32755	0.4
429.33130	0.5
605.65460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35726	0.2
59.01380	0.4
61.04256	0.2
71.01382	0.3
73.14072	0.2
85.02950	1.7
87.00887	0.2
89.02423	0.2
93.61913	0.2
96.40561	0.2
96.98768	0.2
101.02460	0.3
111.00932	0.3
113.02446	100.0
119.03511	0.2
135.04500	0.2
146.53334	0.2
163.03993	0.2
191.05614	0.4
263.71948	0.2
357.12088	1.1
375.12955	0.3
509.34811	0.2
643.72400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.4
66.00102	1.6
70.13018	1.6
71.01376	12.0
89.02431	14.0
97.02979	2.0
101.02444	10.1
111.04527	7.5
113.02434	3.7
115.03992	11.2
119.03485	9.5
121.03004	2.0
127.03981	16.0
137.02420	3.4
149.02463	3.3
149.66606	1.9
150.03212	14.1
155.02345	2.0
155.03499	12.9
161.04582	3.0
164.04739	7.4
164.40164	2.3
165.05568	31.3
166.02762	2.6
179.05542	8.7
180.04314	4.8
181.05074	12.8
194.05843	2.7
195.06630	23.9
196.07422	21.2
197.04962	1.9
199.02512	9.7
211.09785	8.0
219.98700	2.3
267.06619	19.3
278.41895	2.0
281.08194	30.0
295.09726	30.2
296.10617	14.2
325.07245	4.0
340.09534	100.0
343.11871	2.6
345.46741	2.6
355.11920	79.7
373.12854	13.6
421.15048	14.6
491.45743	2.3
535.18280	22.1
540.93274	2.4
574.28693	2.1
585.23175	7.8
600.86407	2.2
633.21936	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49326	0.3
59.01371	2.0
64.60092	0.3
67.01894	4.3
69.14052	0.3
71.01395	1.5
73.42641	0.3
73.43069	0.3
85.02956	1.3
89.02417	1.3
95.72589	0.3
101.02428	1.2
111.00873	100.0
113.02451	0.7
119.03481	0.4
120.99657	0.3
122.92625	0.3
152.35657	0.3
165.88927	0.3
179.05573	0.4
182.02264	0.4
222.62050	0.3
281.08206	0.4
297.11057	0.4
311.09164	1.2
314.11563	0.4
326.11682	2.1
329.14117	1.4
341.14038	0.7
440.11646	0.3
476.17245	0.4
488.17014	0.4
491.19296	5.0
503.19165	3.8
521.20233	3.7
633.21631	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33359	2.1
53.55212	2.4
59.01373	13.3
70.55697	2.2
71.01378	14.4
73.02943	3.6
74.18210	2.6
89.02430	4.0
99.48354	2.7
101.02389	3.4
113.02457	4.4
127.42869	2.5
145.03015	3.6
165.35399	2.6
183.10225	3.3
245.48506	3.2
279.10297	11.5
283.06219	6.5
293.04742	3.9
294.05667	3.9
294.09177	4.0
297.11267	5.5
306.05142	3.4
308.07077	20.2
309.07529	4.4
320.07111	4.4
321.07797	6.0
323.05658	6.2
323.09198	44.3
336.10135	5.7
338.07965	15.8
339.12433	4.1
341.10342	11.5
352.09650	3.2
353.10379	42.4
364.09515	5.4
365.06445	4.0
367.11920	3.5
380.08908	15.5
383.11505	14.6
395.11398	34.0
425.13312	3.5
455.13446	5.7
575.98224	3.6
593.69171	2.9
603.20764	25.4
615.20868	53.0
633.21674	100.0
633.31592	4.2
663.57880	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.3
61.00466	2.1
62.45237	1.7
66.43652	1.9
68.99821	2.5
70.98059	1.6
71.01376	2.2
87.00894	3.2
96.95998	2.7
108.02183	7.8
123.04537	13.2
130.65080	2.4
134.03749	7.8
143.10762	3.8
149.06062	2.2
150.03204	4.0
159.04532	2.9
160.01689	17.8
165.05519	3.4
175.04019	100.0
175.28230	2.1
176.47037	1.9
177.05585	2.8
178.02740	18.4
181.05019	2.2
189.05579	8.5
193.05061	41.2
195.06645	3.1
215.03383	2.2
219.30048	2.2
295.17026	2.2
339.08658	9.7
369.13458	10.1
416.33813	2.3
439.15997	15.4
603.20801	3.1
633.21924	88.6
633.31940	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62652	0.4
58.32231	0.4
59.52671	0.3
60.27462	0.4
65.42320	0.4
67.01896	5.0
85.02956	2.8
89.02444	1.9
96.96020	0.8
109.61207	0.5
110.43645	0.5
111.00874	100.0
148.98717	0.5
166.02203	0.5
199.23679	0.5
230.43140	0.5
288.70425	0.4
314.11588	2.4
326.11670	2.3
329.13879	4.2
329.44562	0.6
341.13840	1.0
341.29788	0.5
385.41223	0.4
427.17526	0.6
521.20551	1.8
633.21960	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82594	0.7
56.50704	0.9
59.77005	0.8
61.03183	0.8
62.90359	0.9
63.42537	0.7
66.20132	0.8
88.82671	1.1
90.96693	0.9
94.40594	0.9
96.96019	7.9
101.02466	1.2
108.02170	4.9
108.97828	1.0
109.02956	7.7
111.50257	1.1
115.04015	0.9
120.61087	0.9
123.04516	10.4
134.03740	1.0
137.02444	1.4
151.03993	4.0
159.04541	1.9
160.05298	17.8
163.07700	4.5
172.05281	7.5
173.06081	14.7
175.07594	2.3
187.07664	2.2
204.04262	3.9
207.06660	2.1
217.05075	36.9
219.06700	8.8
231.06627	18.3
295.09686	1.3
296.10559	14.1
311.12903	12.0
340.09552	11.5
355.11951	30.6
358.10327	1.0
373.12970	100.0
535.11035	1.7
535.18304	22.3
607.75482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
64.32233	0.5
67.01893	3.5
88.98780	1.0
89.02457	1.0
90.42636	0.5
92.22540	0.5
98.77282	0.6
111.00876	100.0
119.14859	0.5
125.09743	2.5
130.73788	0.6
175.07658	0.9
178.06372	0.9
186.27313	0.6
187.09782	6.9
192.07993	0.7
329.13983	7.9
359.14987	2.8
490.10529	0.6
521.20569	0.8
633.21417	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98384	1.2
59.01382	28.8
71.01405	2.1
79.39588	1.3
89.02444	2.0
97.53621	1.5
101.02509	1.5
105.88612	1.6
113.06068	23.5
121.14937	1.3
130.08734	7.7
131.07143	100.0
131.09103	2.0
147.04558	1.8
154.55412	1.6
157.08679	7.4
161.04576	1.8
165.05594	25.3
172.09782	5.6
173.08188	49.1
189.49184	1.4
200.52032	1.4
217.10896	6.4
410.14862	1.4
411.16647	19.2
573.21765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45809	1.6
56.36032	1.6
58.58252	1.3
59.01367	2.4
61.84645	1.6
64.97794	1.3
65.31783	1.3
70.23240	1.5
71.01395	2.0
71.20454	1.6
75.00869	1.7
78.91074	1.5
87.00873	2.1
96.00938	1.6
101.02435	1.5
111.04561	3.1
113.02435	9.1
121.58152	1.6
122.03702	1.8
127.04021	3.1
135.04518	1.6
149.02400	15.5
149.60420	2.1
150.03227	52.1
151.00381	6.5
164.04807	10.7
165.01944	9.1
165.05566	100.0
166.02733	44.4
175.04030	3.3
179.03520	1.9
179.07083	1.9
180.04312	22.7
181.05069	75.8
189.05008	1.6
194.05847	2.2
195.06642	53.4
195.08342	2.9
196.07419	65.5
197.08243	1.7
199.02495	3.2
201.34631	1.6
205.05156	2.5
210.05334	1.9
211.09761	34.6
211.57370	1.6
220.40408	1.9
225.07703	3.8
232.03795	2.8
273.48032	1.7
340.09451	5.7
343.11884	8.7
347.43729	1.6
355.12131	1.8
359.11154	3.5
373.13098	26.4
374.13861	3.0
389.16150	6.7
403.13705	2.1
419.45508	2.1
421.15112	46.6
437.18356	9.7
585.23315	21.6
633.25690	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10486	0.3
68.45342	0.3
78.95901	0.8
81.77435	0.4
83.91073	0.4
91.33678	0.5
96.93171	0.4
99.92588	2.6
116.92851	100.0
116.97186	0.5
117.01907	0.9
117.65699	0.4
124.25343	0.5
125.14862	0.4
165.54895	0.5
171.16042	0.5
191.20802	0.4
261.15756	0.5
279.23215	0.5
582.51172	0.5
633.38379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2739
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
61.10870	5.0
71.01421	5.0
116.92863	41.3
144.99185	5.7
255.23286	20.9
277.21555	4.9
499.21649	7.4
514.23950	6.8
515.24017	8.2
528.21765	7.0
542.23517	37.7
546.93451	5.2
557.25549	100.0
601.24817	9.8
633.28113	9.0
633.38794	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58972	1.9
59.01378	26.3
71.01379	15.0
76.92336	2.4
78.95917	16.1
89.02446	10.9
92.22638	3.6
101.02444	16.7
113.02469	4.7
115.03980	3.5
119.03518	3.7
132.59827	3.1
133.30496	2.8
140.80818	2.7
152.99586	3.7
188.04031	2.4
199.07605	3.5
216.07907	3.0
224.67906	2.6
236.78429	2.8
279.13977	5.8
311.22314	14.5
312.22708	15.9
327.19830	2.7
337.18198	11.9
355.19168	15.6
373.20114	6.0
374.76898	2.8
398.29697	2.7
434.71091	2.6
515.18945	2.5
517.24225	10.0
519.13348	2.8
535.25555	100.0
589.34058	3.3
633.29303	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02936	3.5
126.95570	0.8
137.02446	51.1
152.34029	0.8
225.03896	0.9
263.65778	0.9
286.22791	0.9
291.10144	1.5
320.07144	0.9
321.07739	3.9
335.09229	1.8
339.08963	1.3
347.09204	1.0
361.14630	1.2
389.13983	80.0
390.14658	3.5
403.15552	0.9
407.15182	1.3
458.21289	3.3
459.21744	3.5
517.29077	1.2
527.28082	78.9
545.29175	15.0
546.00861	1.0
571.59717	1.1
633.30804	100.0
634.63708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3289
Annotation	Jaspamide O
Peak:m/z	Relative Intensity
53.72663	1.5
54.59118	1.3
58.16602	1.4
59.01376	25.5
65.09675	1.7
71.01382	15.5
78.95891	3.2
85.02948	4.3
89.02446	12.9
101.02415	11.8
113.02426	7.2
119.03443	1.8
151.46130	1.7
176.62433	1.5
196.93515	2.0
256.14758	20.5
281.15414	2.4
311.22345	2.4
339.23367	4.1
340.20535	8.3
349.56641	1.8
351.23502	2.9
408.48557	2.0
409.27432	7.1
427.28775	3.9
470.22321	2.1
520.26886	7.5
529.12964	2.2
589.33881	17.0
615.31818	7.7
633.32886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3291
Annotation	Jaspamide O
Peak:m/z	Relative Intensity
52.24067	2.4
58.94098	2.6
61.11329	2.5
71.01382	3.8
78.95899	7.1
79.92342	2.5
99.66970	2.7
110.22751	2.9
120.28366	3.1
138.44055	3.3
139.73553	3.0
149.06140	13.6
160.61461	2.8
170.31610	2.9
195.64606	3.0
202.10004	20.4
217.12370	5.1
224.00673	3.3
256.14774	5.4
256.42203	3.1
269.15576	7.0
272.14172	12.8
273.39139	3.0
274.15857	19.6
287.16559	22.3
288.17331	3.7
288.85220	3.3
295.53595	3.3
300.17429	7.1
342.21951	24.4
343.15399	3.1
409.27475	5.8
426.27841	20.7
427.28543	73.8
633.33026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34957	1.0
71.01420	1.5
78.95906	18.2
84.23039	1.2
99.64611	1.3
101.56437	1.3
125.09746	1.2
152.99603	2.5
162.43384	1.4
176.71640	1.3
183.26006	1.3
188.34163	1.3
253.21751	100.0
255.23282	5.4
356.54822	1.3
633.33820	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.3
59.83044	0.4
68.33755	0.4
71.01379	7.7
72.86237	0.4
73.02931	3.0
83.01385	0.7
85.02933	4.5
87.00874	0.9
89.02464	4.1
91.82599	0.4
97.02934	0.7
100.04881	0.5
101.02448	9.1
111.00887	0.6
111.04516	0.5
113.02449	4.4
115.04019	4.2
119.03477	0.8
123.08128	0.7
127.04002	0.6
135.04527	0.6
155.03513	0.6
161.04552	0.8
187.30263	0.5
194.55255	0.5
243.19754	0.5
268.03778	45.2
275.03647	0.5
277.21652	3.0
281.04712	0.7
283.06134	100.0
295.22754	2.2
362.19559	0.6
504.69455	0.6
535.31458	7.6
633.35059	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3801
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.15873	0.7
56.52403	0.7
78.95887	1.9
100.68440	0.8
104.24193	0.7
109.37894	0.9
119.05022	16.5
145.02956	32.0
163.04013	30.7
176.50203	0.8
379.37906	0.9
469.33368	5.9
520.57758	0.9
537.59705	0.8
554.42322	0.8
633.38037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3807
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.18118	0.4
55.40202	0.4
63.18174	0.4
75.00860	0.5
78.95890	0.7
107.53639	0.5
134.03717	3.2
135.04520	26.6
137.02467	1.1
144.43500	0.5
145.02925	0.6
152.99554	1.2
161.02431	9.3
178.02780	1.8
179.03494	52.3
185.23161	0.6
206.73856	0.5
218.66850	0.5
453.34033	2.6
453.84973	0.6
589.38831	0.9
633.38086	100.0
663.19086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92712	5.3
55.50001	4.8
58.43920	5.4
62.13896	5.1
65.92880	5.3
72.64056	5.5
84.70676	6.0
97.06608	13.0
121.06653	9.8
125.09724	10.9
185.11810	24.5
209.11803	5.7
211.13509	6.7
213.11386	13.8
235.13411	10.1
244.54138	7.6
283.06198	8.5
289.18057	30.0
307.19290	24.8
325.20190	100.0
332.88345	6.5
633.29358	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.4
61.70517	1.8
62.95812	1.7
72.68678	1.6
78.95898	13.1
122.98454	1.7
166.40163	1.8
255.23335	2.1
259.24289	4.3
303.23306	100.0
633.34174	3.6
650.49506	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25928	0.4
69.39102	0.4
71.01389	1.0
73.02926	0.5
76.77041	0.4
85.02940	1.1
101.02444	1.1
103.83828	0.4
104.91621	0.5
108.02164	22.1
109.02953	15.7
111.96553	0.5
113.02454	0.8
121.02949	0.6
123.04495	0.7
139.07642	1.8
151.04076	1.0
152.01157	53.2
153.01935	28.2
153.03210	0.5
163.04016	1.9
165.01949	2.2
181.05002	0.5
231.08788	0.6
250.29680	0.5
284.12366	0.8
313.05093	0.6
315.07257	100.0
339.83936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09477	0.3
63.20850	0.3
65.81051	0.3
69.95683	0.3
71.01405	0.3
78.36969	0.3
92.80781	0.3
100.07887	0.4
117.20227	0.3
268.03802	20.3
283.06149	100.0
591.17291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11221	0.3
60.61934	0.3
73.68864	0.3
74.75323	0.3
81.47163	0.4
93.61932	0.3
124.14991	0.4
186.03886	0.4
214.66855	0.4
227.52211	0.4
268.01590	0.5
268.03778	19.5
283.06137	100.0
410.46295	0.4
591.17365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
80.64682	0.5
107.06654	0.5
107.91384	0.5
127.02219	0.7
139.50119	0.6
145.02969	1.9
151.53038	0.6
206.53873	0.5
224.54971	0.6
249.47655	0.6
309.30081	0.5
334.96664	0.5
409.15097	2.3
431.15561	0.6
634.20380	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18978	0.3
59.01384	0.4
61.72153	0.3
87.00886	0.3
101.02445	6.9
102.52287	0.3
110.09794	1.0
115.07630	0.4
124.67529	0.4
128.03484	0.6
130.08733	100.0
160.79251	0.4
172.09822	3.3
179.05728	0.3
186.61591	0.3
191.05650	1.9
194.98277	0.3
199.31709	0.4
202.10869	14.3
214.10895	0.7
230.79483	0.3
232.12108	0.4
244.11801	1.3
256.01663	0.3
292.14059	21.1
294.85663	0.3
375.64365	0.3
572.28406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.6
71.01363	9.5
76.13892	1.6
76.45166	1.7
89.02456	14.1
90.47128	1.7
95.10141	1.8
101.02438	9.7
113.02457	1.9
113.06050	1.7
119.03497	7.1
122.68369	1.7
131.07129	39.7
155.26709	1.7
233.02454	1.7
262.65002	1.7
267.06653	3.1
293.12473	78.6
310.10883	46.6
325.13217	100.0
340.15558	99.6
516.18835	2.0
634.18713	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	24.8
58.02975	1.4
59.01373	3.9
60.42606	0.8
71.35852	0.9
72.04549	1.0
73.02943	4.0
83.07953	1.1
84.04560	1.7
86.02477	4.7
98.03732	5.2
100.04061	1.5
102.05560	1.3
119.02203	1.0
179.81575	1.0
205.19658	1.0
223.20624	2.1
253.21756	2.2
259.20715	1.7
263.41907	1.0
265.21756	9.0
276.23199	1.3
277.21704	11.5
302.24878	3.4
314.25046	1.2
318.24435	9.1
320.26044	4.4
332.25986	6.5
378.46576	1.3
408.03802	1.0
437.93002	1.3
470.58548	1.1
574.48511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35349	1.9
51.58528	2.2
52.74731	1.8
57.97571	20.6
59.01376	3.1
59.67906	2.1
70.00607	2.2
73.02938	4.2
86.02474	5.7
98.03716	4.8
126.75921	2.5
164.39645	2.2
265.21729	4.6
277.21735	11.2
302.24863	5.1
318.24454	9.8
332.25851	4.0
370.52496	2.5
574.48578	100.0
627.65228	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
69.86706	0.3
74.23612	0.3
74.99058	0.3
79.95741	1.4
82.70240	0.3
87.00874	1.9
92.23100	0.4
92.24884	0.3
96.96001	100.0
98.95581	1.4
101.02423	0.4
107.53506	0.4
111.00858	0.5
127.15591	0.3
150.03203	1.3
160.01622	1.3
165.05597	3.2
175.03984	4.2
191.07159	0.8
282.08688	0.4
321.20856	1.3
375.14206	0.4
385.20496	2.1
439.16034	3.9
575.27075	0.4
635.28552	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73094	0.5
53.37904	0.4
61.98832	100.0
66.03292	0.5
85.96896	0.6
113.02429	7.5
145.59239	0.6
269.62793	0.6
283.06247	0.8
511.32663	0.6
635.15979	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
59.20971	0.8
67.01878	0.8
71.01381	1.2
84.54583	0.9
85.02979	1.1
92.29758	0.9
93.03448	7.4
99.94516	1.0
111.04517	2.1
119.05032	1.9
129.28606	1.0
135.02937	4.2
135.04533	38.3
137.02426	5.0
141.83853	0.9
150.08691	1.0
151.18759	1.0
155.03493	5.8
157.05244	0.8
161.02370	1.3
163.04028	6.1
173.04552	94.5
179.03496	69.2
186.95454	1.1
191.05637	59.9
262.38544	1.1
281.06564	1.8
353.08832	100.0
635.16943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77638	0.5
55.60788	0.6
55.71880	0.6
56.55827	0.5
57.32134	0.6
59.01383	4.3
60.48875	0.7
69.48026	0.6
71.01380	12.5
73.02952	0.7
73.19239	0.6
83.52217	0.8
89.02448	4.5
101.02426	3.0
105.83830	0.7
112.87281	0.8
113.02457	1.0
114.93420	3.0
115.00362	17.4
116.92859	1.1
119.03500	2.8
147.04567	0.9
149.02428	3.0
151.06120	4.8
164.04802	18.6
175.00423	0.9
179.05678	0.9
179.07159	3.4
182.72826	0.9
190.02727	22.0
195.06621	0.9
205.05078	67.6
206.05898	1.2
208.03769	0.9
221.08218	6.4
223.06131	31.6
237.07635	2.9
265.07184	13.2
295.08078	1.0
462.05975	0.7
472.49747	0.8
519.17261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00423	0.6
53.58628	0.6
54.17733	0.5
56.38363	0.7
61.48743	0.7
61.98817	0.9
68.70334	0.7
68.99570	60.4
70.20718	0.6
81.61530	0.6
112.98559	100.0
176.97435	0.8
185.66916	0.8
188.49503	0.8
314.95358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18174	0.4
58.16423	0.5
59.01355	1.9
63.18037	0.4
69.03414	0.8
71.01367	1.1
72.48642	0.5
72.99297	2.7
74.19436	0.4
81.03484	0.6
87.00842	0.7
89.02431	0.8
95.01366	0.7
101.02441	1.1
113.02399	0.8
121.02903	0.7
125.02422	2.9
135.98296	0.6
137.02423	5.1
138.03174	0.7
151.00346	0.6
151.03954	1.0
153.05559	0.7
155.03503	0.7
165.05574	1.0
166.02734	5.3
181.05061	16.1
182.05852	100.0
187.09734	3.0
195.06569	0.9
196.07417	10.2
197.08205	86.4
241.04851	0.6
242.05931	0.6
243.06300	0.5
251.09232	2.1
273.07721	0.7
280.43442	0.5
333.09283	0.6
335.07788	0.6
365.12610	2.2
393.11923	2.3
418.43408	0.6
437.10892	0.6
515.18646	0.8
531.19012	1.1
545.20221	3.6
563.21588	5.3
571.92249	0.7
635.19830	35.0
635.29938	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
66.43066	0.5
69.03465	0.6
70.73517	0.5
72.99294	3.2
81.03475	0.7
87.00893	0.6
88.36062	0.6
94.11485	0.7
105.49339	0.5
121.02961	0.8
125.02428	1.2
137.02414	4.8
138.03200	1.1
151.04028	3.0
153.05574	1.1
165.05576	2.4
166.02698	3.8
181.05066	14.4
182.05853	100.0
196.07437	8.0
196.20995	0.6
197.08200	78.2
224.36505	0.6
229.04807	0.8
271.06210	0.7
298.04919	0.8
303.08649	1.3
312.37097	0.6
313.07254	0.9
317.10156	0.8
345.09958	2.4
347.07935	4.7
375.10919	5.9
377.08713	1.4
381.70844	0.8
393.12119	1.1
405.12079	1.4
407.13580	6.8
545.20001	2.8
563.21576	3.6
603.21246	0.7
635.20001	22.5
635.31366	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
70.02982	1.1
71.01373	1.0
75.57666	0.5
89.02443	1.0
95.02526	0.8
101.02449	8.5
113.02457	0.7
113.02751	0.8
113.03568	16.7
114.01967	9.5
130.63086	0.5
131.04625	100.0
141.89456	0.6
142.73376	0.5
150.91858	0.6
153.65274	0.6
173.05658	2.3
203.06743	11.5
221.06587	0.6
246.76303	0.5
281.77817	0.6
285.61169	0.7
286.71954	0.5
293.09949	36.3
503.16336	5.9
635.21387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92159	0.4
62.48246	0.5
66.84788	0.5
68.23666	0.5
70.02944	0.5
73.02960	0.5
95.02524	0.8
98.02480	0.7
100.81941	0.5
101.02431	8.9
111.02006	0.6
113.03574	15.2
114.01969	6.7
120.50064	0.5
131.04616	100.0
173.05612	3.1
175.94742	0.6
185.05653	1.0
191.05664	2.3
203.06764	14.6
216.84433	0.5
229.68777	0.6
270.43265	0.6
293.09930	42.7
432.83472	0.6
588.09412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10234	1.4
52.80043	1.5
56.70375	1.2
57.03491	1.6
58.72313	1.4
59.01382	25.6
63.68835	1.7
71.01372	18.7
73.02946	2.5
79.41424	1.6
85.02958	4.0
89.02428	12.2
101.02428	13.4
107.93613	1.7
113.02415	11.3
119.03468	3.5
121.02959	3.1
134.03732	21.9
135.04530	2.2
148.05304	2.2
149.02437	3.8
149.06047	7.3
149.98418	1.6
150.03221	19.9
153.05576	1.8
155.10390	1.6
160.01646	22.4
164.04793	3.4
165.05550	29.9
175.03995	85.0
182.05867	6.9
187.13411	6.1
192.04333	3.7
193.05022	12.9
195.06601	2.5
197.08179	2.5
267.06586	2.4
282.09039	12.1
341.10394	14.5
359.93408	2.3
439.16098	100.0
456.48859	2.0
477.23627	12.3
587.21350	42.7
625.98010	2.0
635.22974	13.5
635.33673	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
71.01366	1.4
101.02438	0.9
113.02433	0.8
113.53835	0.8
119.15484	0.8
121.02901	0.9
129.02298	0.7
137.02461	5.9
138.03226	1.1
147.04567	0.9
151.03981	3.0
153.05569	1.2
166.02698	1.2
172.06332	1.0
181.05087	12.3
182.05843	100.0
192.44681	0.8
195.06522	0.8
196.07451	4.2
197.08197	67.0
248.33691	0.8
269.04709	1.1
273.04077	1.6
273.07846	0.8
288.06274	1.0
289.07196	0.8
298.04913	1.3
299.56555	0.8
303.08731	1.9
313.07056	0.9
315.05212	1.3
330.07397	0.8
345.09778	3.5
346.41803	0.8
347.07700	7.6
363.86526	0.9
375.10889	13.3
377.08423	2.7
377.12900	1.2
392.11261	1.7
405.11951	4.8
407.13458	13.2
437.14511	1.2
585.19965	1.2
603.21161	3.4
635.20660	4.8
635.31860	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96825	0.5
57.40776	0.6
58.47346	0.6
59.01375	4.1
60.42695	0.5
61.29131	0.5
65.50095	0.6
71.01384	1.6
72.99303	1.6
74.99072	0.7
89.02436	0.8
95.01409	0.8
101.02406	0.9
130.87996	0.7
135.04544	0.7
135.98363	1.4
137.02426	6.6
151.03989	2.8
153.05614	0.8
161.02431	0.8
161.04642	0.8
164.04742	1.1
165.05544	0.8
171.10280	3.5
175.04025	0.8
179.03564	1.4
180.04341	0.7
181.05064	16.4
182.05859	100.0
196.07408	5.8
197.08208	72.0
198.08534	1.0
203.03621	0.8
217.05029	0.8
233.08128	1.0
247.06247	0.9
251.04025	0.7
251.09222	1.1
261.07675	0.9
269.04443	1.6
269.08383	1.1
271.06152	1.3
273.04120	0.9
279.08813	0.8
285.07730	1.1
288.06424	1.0
299.05771	1.1
299.09186	1.5
301.07190	1.2
303.08664	1.4
313.07208	1.7
315.05106	1.3
343.08185	2.5
345.06137	2.2
345.09805	4.9
347.07675	5.2
360.08511	0.9
375.10858	13.2
377.08606	1.6
377.12732	1.4
387.10974	5.0
405.11954	20.1
407.13678	8.1
437.14587	4.5
437.22113	0.7
445.21201	1.3
593.03412	0.7
603.20984	3.9
605.22736	0.9
635.25610	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55253	1.1
58.01570	1.0
59.01400	1.1
68.17136	1.0
71.01386	2.3
71.73260	1.1
72.65203	1.3
73.17110	1.4
74.68879	1.1
81.92130	1.0
90.21869	1.2
107.90561	1.1
115.00385	7.2
121.02922	1.4
122.03762	1.9
133.01433	19.7
133.02936	1.4
134.01778	2.3
134.03737	15.1
135.04500	1.2
137.85101	1.2
149.02455	2.8
149.06042	2.0
150.03227	28.2
160.01674	27.5
163.65167	1.2
164.04829	2.0
164.13051	1.4
165.05563	51.1
175.04012	100.0
180.04297	5.7
193.05115	14.0
195.06688	11.4
250.06297	4.9
267.06665	1.6
282.08990	9.3
297.11188	1.7
325.08716	1.2
341.10306	9.9
350.98114	1.4
408.25131	1.4
439.16141	75.9
587.21735	4.9
635.23462	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.0
59.45138	0.9
69.31481	1.0
71.01381	6.8
71.07570	1.2
73.02964	1.2
73.40206	1.1
78.08820	0.9
85.02940	1.8
89.02452	11.7
89.60039	1.1
95.59334	1.4
97.97326	1.2
101.02415	8.8
113.02441	6.0
119.03497	1.9
121.02943	4.6
124.76469	1.3
133.02925	1.3
134.03740	19.3
135.04504	5.3
136.01622	2.5
148.05305	2.2
149.02405	4.8
149.06087	2.6
150.03226	28.9
153.05542	1.7
160.01639	21.1
164.04749	2.0
165.05550	33.5
175.04008	100.0
180.04312	3.0
182.05878	5.2
192.04378	2.6
193.05045	11.5
195.06633	5.0
197.08208	4.9
248.40689	1.5
250.06396	2.2
259.20963	1.4
267.06705	1.8
282.08987	9.0
341.10376	13.2
439.16110	79.7
447.29626	1.2
539.68390	1.3
587.21484	23.3
604.84644	1.5
617.22546	2.1
635.23572	58.3
635.33484	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85110	0.4
51.58415	0.4
54.25780	0.4
54.53215	0.4
55.32945	0.4
57.28872	0.4
71.01369	0.8
74.99086	0.5
80.30197	0.5
85.02948	1.9
87.00870	1.8
101.02438	0.6
102.47574	0.5
111.44028	0.5
129.05592	1.2
135.98358	0.7
136.19330	0.5
151.03986	1.9
175.04012	3.5
176.04787	15.4
187.09740	1.0
190.06366	6.4
191.07149	100.0
209.08179	2.8
238.35759	0.6
239.09085	1.8
327.12439	15.5
345.13376	3.5
357.13437	2.3
375.14529	38.0
537.19629	5.4
635.28113	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.08550	0.7
71.01374	2.8
79.49397	0.7
85.02949	0.9
96.13275	0.8
101.02477	1.0
127.06412	0.6
135.03448	0.6
158.12900	0.7
161.04581	1.2
225.28987	0.8
319.17642	0.7
377.41763	0.7
575.21387	1.0
576.51178	0.7
607.76532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85110	0.4
51.58415	0.4
54.25780	0.4
54.53215	0.4
55.32945	0.4
57.28872	0.4
71.01369	0.8
74.99086	0.5
80.30197	0.5
85.02948	1.9
87.00870	1.8
101.02438	0.6
102.47574	0.5
111.44028	0.5
129.05592	1.2
135.98358	0.7
136.19330	0.5
151.03986	1.9
175.04012	3.5
176.04787	15.4
187.09740	1.0
190.06366	6.4
191.07149	100.0
209.08179	2.8
238.35759	0.6
239.09085	1.8
327.12439	15.5
345.13376	3.5
357.13437	2.3
375.14529	38.0
537.19629	5.4
635.28113	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2523
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.57661	1.1
59.01364	1.4
72.53931	1.3
79.95741	7.2
83.51194	1.5
91.88308	1.3
101.02455	1.8
129.21248	1.4
161.04413	1.4
209.75079	1.3
255.23343	1.5
277.21802	13.1
357.17450	1.7
419.49377	1.7
431.18637	8.2
458.17264	3.1
459.17889	1.7
473.20178	2.4
474.16797	15.2
475.17706	3.0
487.17551	3.1
488.18527	10.6
489.19366	8.3
490.20383	9.2
501.19504	2.6
529.19202	1.9
575.23108	29.3
576.23755	8.5
635.25189	100.0
635.40430	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84093	1.0
58.20777	1.4
58.29791	1.0
59.01371	11.0
71.01383	10.2
72.99297	1.3
73.02955	1.1
89.02441	14.2
96.96001	1.4
101.02424	7.1
113.02419	5.7
119.03480	5.1
131.17845	1.4
135.44469	1.2
138.82797	1.4
154.86281	1.1
161.04549	1.5
161.09732	1.4
171.11795	2.4
177.12808	6.4
179.05569	5.2
187.11320	6.1
189.12859	68.2
203.36186	1.4
215.10771	1.1
218.10445	2.5
221.11821	5.0
233.11845	64.2
250.79228	1.2
251.12782	2.3
298.06018	6.8
557.22473	100.0
575.23822	2.1
664.86279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65747	0.9
58.79060	0.7
59.01379	1.0
70.06053	0.7
70.16840	0.8
81.31314	0.8
81.96021	0.8
101.02441	15.6
101.38553	0.8
102.02811	1.1
102.90594	0.9
108.33533	0.8
110.09699	1.1
130.08733	100.0
131.04626	2.0
131.09093	15.5
163.04100	1.9
167.37076	0.8
172.09845	3.8
180.06673	82.5
191.05650	9.0
192.05997	1.2
202.10854	11.0
203.11153	3.7
222.07724	1.8
252.08856	12.4
261.59250	0.8
282.10211	0.9
292.14038	19.9
293.14337	8.1
294.09677	1.1
342.11975	19.0
353.54248	0.9
388.89542	0.9
575.38800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09681	0.7
55.01879	0.7
57.03448	0.8
57.57101	0.7
59.01106	1.0
59.01384	15.5
60.78542	0.7
71.01373	31.0
73.02952	10.3
83.01373	4.1
85.02943	12.0
85.11695	0.7
89.02432	12.0
95.01376	1.2
99.00879	4.4
101.02438	29.8
113.02435	14.4
119.03489	4.1
122.43031	0.7
125.02398	1.2
139.70578	0.7
143.03470	0.8
158.41196	0.8
159.02994	3.0
161.04584	7.7
203.81877	0.8
315.18182	1.7
365.21997	0.8
388.96625	0.8
430.40341	0.8
477.23444	100.0
525.53607	0.8
547.05060	1.1
569.90167	0.8
635.32892	0.9
655.60120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03450	0.4
59.01104	0.8
59.01382	14.0
71.01378	24.8
73.02942	10.3
83.01404	4.1
85.02476	0.7
85.02941	11.4
87.00867	0.5
88.98808	0.5
89.02444	6.1
95.01368	2.5
97.02977	0.6
99.00874	3.6
101.02438	33.1
111.00912	0.5
113.02439	16.2
117.03426	0.4
118.39746	0.4
119.03462	2.8
125.02422	1.0
143.03482	2.5
159.02966	3.5
161.03334	0.8
161.04561	14.5
181.44777	0.4
288.96948	0.5
310.55817	0.4
315.18161	11.1
329.77460	0.4
360.11172	0.4
477.23462	100.0
635.32611	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
61.98829	1.2
66.39629	0.6
77.75171	0.7
81.32000	0.7
85.02928	1.4
101.02439	0.9
109.16879	0.8
111.09321	0.8
112.44682	0.9
113.02453	0.9
115.69363	0.7
117.03463	6.4
118.04239	5.5
119.05027	32.7
121.02940	7.1
129.37411	0.8
145.02959	100.0
162.03172	5.0
163.04016	63.2
171.10297	1.9
183.13918	1.8
211.13365	3.1
229.14453	0.9
291.19672	1.5
311.22205	1.9
327.21811	9.1
380.17258	1.0
473.25522	37.8
515.26337	1.1
635.30896	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82740	0.2
53.85142	0.2
57.03448	0.5
59.01385	5.0
61.98809	0.4
69.03470	0.4
71.01373	1.5
73.02942	0.4
73.80319	0.2
75.00862	0.4
76.52669	0.3
78.15893	0.3
85.02956	0.3
89.02440	0.6
101.02422	1.1
111.08144	0.6
113.02447	0.6
115.04041	0.5
119.03496	0.3
123.08145	4.3
125.09702	2.4
127.03966	0.5
135.04576	0.3
137.09677	0.4
139.11296	22.9
151.11282	5.2
165.05525	0.3
167.10773	1.2
169.12318	3.6
171.10365	0.3
175.04018	0.3
191.05600	0.5
202.25450	0.3
213.11342	100.0
223.25432	0.3
233.48100	0.3
260.55936	0.3
329.14117	1.5
392.29709	0.3
421.20834	3.0
439.16232	0.4
563.30798	0.5
635.33801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.3
59.58901	2.8
62.98738	2.9
69.04053	2.8
71.01341	2.8
78.95925	6.0
87.04523	3.8
101.02425	4.9
122.85634	3.6
171.10368	5.1
203.10890	7.7
228.11540	4.5
235.37001	3.5
255.13866	3.4
256.14685	15.7
258.16357	7.3
270.16174	3.7
271.17035	13.4
273.18747	5.8
285.18616	5.0
319.33218	4.2
323.23932	8.0
341.24887	28.4
342.22150	5.2
343.22794	21.9
358.21591	7.3
360.23184	25.4
381.64682	4.1
385.23798	4.7
405.38715	3.5
411.29251	7.6
428.29449	61.2
429.30154	100.0
591.35016	14.0
635.34161	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92876	1.8
56.45835	1.6
57.64665	2.0
59.01379	11.8
67.45328	1.7
89.02411	2.4
92.23070	4.3
131.33125	2.4
184.89677	2.2
203.10841	2.3
217.12373	2.5
256.14719	13.3
258.16260	4.2
268.29254	2.8
270.16330	3.3
271.17084	10.4
272.18069	2.7
285.18561	12.9
323.23688	9.9
341.24789	25.3
343.22952	4.2
358.21606	5.1
360.23172	14.8
373.23883	3.9
380.16916	2.4
386.24426	2.4
411.29013	14.1
428.29239	40.3
429.30133	100.0
635.34479	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.6
69.73877	0.9
71.01383	1.7
71.40035	1.2
78.95920	2.3
84.82806	1.0
87.04506	5.5
89.56591	1.2
101.02457	1.4
106.86913	1.1
107.02729	1.1
114.02087	1.0
200.18726	1.2
202.10075	2.3
203.10884	2.6
217.12408	2.5
227.10803	2.4
228.11481	2.3
229.12369	2.4
256.14746	16.7
257.15604	1.8
258.16272	15.6
270.16241	7.5
271.17102	13.8
272.17883	4.6
273.18686	6.0
284.17853	2.5
285.18573	13.3
298.19449	1.3
323.23770	5.4
341.24875	34.1
353.25095	1.7
358.21552	8.8
360.23077	28.6
373.23944	2.6
386.24747	1.7
411.29144	28.0
413.30658	2.3
414.27820	5.8
428.29346	40.8
429.30121	100.0
591.35437	42.0
635.34399	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3447
Annotation	VECURONIUM BROMIDE
Peak:m/z	Relative Intensity
59.01377	16.7
60.23389	2.0
61.98836	1.7
62.47961	1.6
63.65597	1.8
71.01397	8.0
75.10561	1.8
75.71056	1.8
78.95901	9.5
86.01279	2.2
89.02439	4.1
98.05984	2.2
101.02435	11.6
113.02411	2.7
126.45673	1.7
141.30035	2.1
152.99574	2.9
160.05350	4.1
163.61607	2.2
164.78540	2.2
182.80379	2.4
188.08417	2.3
203.10774	22.7
215.10809	4.2
248.32216	2.3
255.56454	2.3
279.12823	2.4
342.21899	4.0
522.28430	48.2
566.27264	12.1
635.34491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
71.01372	5.7
78.95911	2.3
88.05328	0.5
90.14070	0.7
96.95976	0.6
97.02944	7.2
102.05641	0.6
103.85730	0.7
107.70492	0.6
109.02918	0.6
111.04544	1.1
113.02423	0.6
116.92870	3.3
139.04033	5.1
246.08846	0.7
255.23322	1.2
269.21344	1.3
270.21616	1.0
277.21753	100.0
291.23322	1.1
293.21353	0.9
357.11884	1.1
364.28629	0.8
365.28647	2.2
375.25473	1.2
389.26886	6.5
417.26364	4.7
468.56641	0.8
635.34253	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3576
Annotation	Coccinone D
Peak:m/z	Relative Intensity
53.91614	16.3
63.10653	14.8
63.46036	16.7
72.34238	18.6
76.91516	18.5
78.95899	97.8
93.03449	22.9
96.96007	44.8
137.02470	38.8
185.98090	27.7
283.26373	22.2
514.18085	22.2
635.36029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97317	5.2
54.47848	6.1
55.97640	5.4
65.73084	6.0
74.41799	6.4
100.23932	7.6
133.64070	6.8
177.18825	6.9
274.13409	8.5
288.76520	7.5
424.03891	7.2
441.81729	8.7
518.71326	8.1
627.75269	7.5
635.35724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10730	0.2
53.10563	0.2
53.47979	0.3
58.50099	0.2
60.81898	0.3
67.08074	0.2
71.22340	0.3
86.86890	0.2
133.02956	0.6
134.03688	0.4
135.04469	0.5
137.02444	1.6
161.02446	14.8
178.02811	0.5
179.03525	1.4
192.58191	0.3
263.28119	0.2
291.19574	0.3
370.98553	0.3
420.22449	0.4
530.36346	0.3
537.91333	0.3
551.37738	0.3
561.28412	0.4
635.39606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09891	0.4
54.31919	0.5
58.57638	0.6
59.01385	100.0
64.30238	0.5
65.86713	0.5
67.57970	0.5
71.01373	3.0
85.02959	0.8
89.02437	3.0
91.47514	0.5
101.02462	1.3
113.02419	1.1
119.03511	1.2
160.90572	0.6
179.05690	1.1
201.66183	0.6
219.10254	0.6
571.19257	0.8
575.43024	2.3
635.45404	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	100.0
58.90921	0.6
65.27534	0.7
91.09951	0.6
125.69878	0.8
137.43208	0.7
146.37929	0.7
298.41956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19498	0.5
57.95976	0.6
65.30128	0.5
70.21961	0.5
73.95510	0.6
79.15975	0.5
86.41822	0.6
119.13157	0.7
141.86128	0.6
167.04002	0.6
167.08514	0.6
200.83797	0.8
255.23154	0.7
279.23297	100.0
293.21222	0.7
635.25287	1.0
635.50140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	2.2
79.39340	0.9
93.07523	1.0
109.54770	1.1
187.81133	1.1
201.69115	1.0
279.23322	100.0
352.04529	1.0
390.41135	1.1
518.44513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
62.80312	0.4
78.95906	1.1
122.98059	0.5
137.02432	2.7
138.02773	0.7
145.87337	0.5
168.56020	0.6
207.70485	0.6
261.22043	0.6
267.70093	0.7
279.23315	100.0
299.26486	0.6
389.13922	0.7
390.14386	2.3
391.14597	2.2
470.44092	0.6
529.28546	5.1
547.30481	0.8
583.48010	0.6
635.31116	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	7.9
72.99284	1.8
75.35619	0.4
76.91231	0.5
83.42245	0.5
84.33505	0.5
89.02448	1.0
90.64671	0.5
105.19849	0.5
115.00364	39.5
133.01430	100.0
359.40164	0.6
383.16260	0.6
588.85004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78286	0.3
71.01385	8.0
72.99300	2.2
85.29957	0.4
89.02438	1.9
115.00360	41.4
133.01428	100.0
142.48187	0.5
143.98732	0.5
144.77150	0.4
145.74112	0.4
255.02010	0.6
310.71268	0.5
447.01770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05954	1.0
67.02821	0.9
71.01379	6.2
72.99304	1.1
74.41428	0.8
75.94396	0.8
99.23254	0.8
99.28779	0.8
115.00364	40.9
133.01428	100.0
163.12680	0.8
217.08412	0.9
268.05264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06085	0.8
68.43192	1.0
68.83091	0.9
71.01367	8.2
72.99293	1.1
114.99601	2.0
115.00359	37.6
133.01425	100.0
133.87880	1.0
204.44260	1.0
405.01590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28558	0.8
67.17780	0.8
71.01374	7.3
72.99316	1.8
74.56470	0.9
89.02447	1.5
102.05602	1.9
115.00365	39.3
120.25279	1.1
133.01431	100.0
147.34430	0.9
171.29443	0.9
256.64444	0.9
387.71915	1.0
389.12320	1.2
515.89313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28558	0.8
67.17780	0.8
71.01374	7.3
72.99316	1.8
74.56470	0.9
89.02447	1.5
102.05602	1.9
115.00365	39.3
120.25279	1.1
133.01431	100.0
147.34430	0.9
171.29443	0.9
256.64444	0.9
387.71915	1.0
389.12320	1.2
515.89313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06085	0.8
68.43192	1.0
68.83091	0.9
71.01367	8.2
72.99293	1.1
114.99601	2.0
115.00359	37.6
133.01425	100.0
133.87880	1.0
204.44260	1.0
405.01590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06085	0.8
68.43192	1.0
68.83091	0.9
71.01367	8.2
72.99293	1.1
114.99601	2.0
115.00359	37.6
133.01425	100.0
133.87880	1.0
204.44260	1.0
405.01590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88425	0.7
70.18762	0.7
71.01383	1.7
73.02966	1.7
78.95901	0.9
84.04527	1.1
90.53232	0.8
92.23115	1.2
93.92904	0.9
96.96945	3.6
101.02441	12.7
102.05606	100.0
114.05607	1.7
115.00347	4.8
133.01416	12.0
134.03781	1.9
136.52238	1.0
149.06030	1.7
150.03192	2.2
165.05605	6.9
174.07700	8.0
178.02728	1.2
191.07233	1.0
193.05040	8.7
195.06674	1.4
205.60637	1.0
265.07199	1.6
341.10345	2.2
389.12531	7.5
424.28943	1.2
431.13382	1.2
461.14679	4.3
636.23004	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88425	0.7
70.18762	0.7
71.01383	1.7
73.02966	1.7
78.95901	0.9
84.04527	1.1
90.53232	0.8
92.23115	1.2
93.92904	0.9
96.96945	3.6
101.02441	12.7
102.05606	100.0
114.05607	1.7
115.00347	4.8
133.01416	12.0
134.03781	1.9
136.52238	1.0
149.06030	1.7
150.03192	2.2
165.05605	6.9
174.07700	8.0
178.02728	1.2
191.07233	1.0
193.05040	8.7
195.06674	1.4
205.60637	1.0
265.07199	1.6
341.10345	2.2
389.12531	7.5
424.28943	1.2
431.13382	1.2
461.14679	4.3
636.23004	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25087	0.6
55.53281	0.6
80.79056	0.7
90.14077	0.6
99.92557	3.1
116.92854	100.0
117.01945	0.9
152.56747	0.7
152.99591	2.8
187.67117	0.7
433.58112	0.7
570.75201	0.8
636.40149	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98785	0.2
62.09117	0.2
63.19597	0.2
66.60100	0.2
73.02934	0.3
86.42357	0.3
89.33732	0.3
92.22446	0.4
95.88706	0.3
99.92553	3.0
111.27785	0.3
114.93401	0.3
116.92848	100.0
117.01912	1.5
125.09719	1.8
132.41887	0.3
133.18925	0.3
146.67305	0.3
152.99550	0.6
235.28708	0.4
258.11914	0.4
279.23230	0.4
279.63870	0.3
339.22784	1.4
512.11853	0.4
514.26990	0.3
555.93695	0.4
636.40491	0.7
636.49707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22452	1.3
55.92639	1.4
62.37343	1.7
68.81299	1.5
78.95921	9.4
107.55043	1.5
140.01149	3.2
150.88237	1.7
152.99586	16.1
157.17030	1.6
196.03789	17.2
214.04889	2.1
228.02354	1.6
277.21747	100.0
474.26199	13.6
636.31616	50.8
653.91516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41632	8.1
56.10084	8.2
57.77087	9.3
57.97561	10.5
71.47034	11.8
78.43142	8.8
92.22554	9.1
106.89576	10.1
111.12898	10.1
119.12170	9.0
126.17214	9.3
320.25967	13.1
334.27457	10.9
576.50012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97565	34.8
70.59040	4.4
72.85793	5.1
79.53848	3.7
86.02494	4.7
98.03738	9.0
101.46853	4.3
101.47559	4.2
114.98189	4.4
117.46130	4.2
171.83580	4.4
228.02277	5.6
252.83818	5.5
279.23111	9.9
320.26007	11.0
322.27631	6.1
576.49902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
71.01378	8.4
72.99312	1.5
78.95906	0.7
80.16621	0.4
89.02436	1.8
96.96005	0.5
96.96966	2.5
100.63698	0.4
115.00361	37.0
117.85815	0.3
122.81291	0.4
133.01428	100.0
135.04474	0.4
137.52205	0.4
140.37415	0.4
157.65373	0.4
161.02449	0.9
174.46495	0.4
197.12819	0.4
212.52217	0.5
213.49814	0.4
255.10355	0.4
439.16150	0.7
475.14078	0.5
637.19519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23361	2.4
59.01381	3.0
61.91165	2.1
75.74426	2.2
83.05011	3.4
93.03456	3.4
105.22303	2.6
109.02930	2.7
111.04518	44.0
116.92884	3.9
127.04008	100.0
136.01683	5.9
137.02446	3.9
149.06076	4.8
151.04007	20.1
155.03505	69.5
195.06621	11.6
199.02512	68.2
258.56897	2.5
314.08112	3.9
421.82220	2.6
437.14484	46.5
637.15881	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34715	0.2
55.80519	0.2
58.27891	0.2
59.01381	0.3
59.43661	0.2
59.98385	0.2
60.15952	0.2
67.05691	0.3
71.73213	0.3
78.11301	0.2
126.57896	0.3
164.84377	0.3
268.03766	19.0
271.42477	0.3
283.06146	100.0
284.06351	0.4
591.17444	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64878	0.6
53.33518	0.6
54.07695	0.5
57.60116	0.6
69.23883	0.5
79.32497	0.5
93.03451	1.4
111.04502	0.6
117.30953	0.7
119.05022	30.9
120.93427	0.8
124.76385	0.7
131.18346	0.7
136.38054	0.6
137.02428	8.0
140.47444	0.6
155.03505	3.1
163.04016	100.0
173.04558	3.2
191.05667	7.7
221.09627	0.7
224.91869	0.7
286.33710	0.6
299.07700	1.4
337.09354	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66452	1.1
59.01384	12.0
66.48940	1.1
71.01368	2.1
77.96149	1.3
81.03449	6.4
83.05010	5.0
87.00869	1.7
93.03460	2.3
93.82346	1.3
96.96014	10.3
101.02445	1.9
109.02979	1.8
111.04512	49.9
119.36021	1.2
127.04007	100.0
136.50485	1.2
136.67554	1.2
137.02434	7.4
150.03270	10.1
151.00418	2.0
151.04044	2.2
155.03497	63.4
164.04793	2.5
165.05556	26.2
166.02730	21.6
179.07191	5.1
181.05077	48.9
195.06662	6.6
199.02504	63.2
203.12822	1.6
210.51328	1.2
217.03513	2.2
227.29427	1.2
300.02979	1.6
329.10309	1.7
437.14587	75.0
637.30084	2.6
657.17480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99969	0.4
55.60450	0.5
70.32284	0.5
71.95912	0.5
72.99300	35.3
76.28706	0.6
90.04576	0.6
123.04507	5.1
135.04526	7.9
166.15140	0.6
167.56400	0.6
179.03496	34.5
197.04561	100.0
277.05643	0.8
359.09885	79.8
511.19684	0.7
643.40015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89523	0.8
55.06344	0.7
55.06733	0.8
72.10574	0.9
72.99307	29.5
89.02468	1.5
123.04514	6.8
133.01419	3.4
135.04529	7.6
161.04535	2.2
165.48468	0.9
179.01927	1.4
179.03516	32.9
179.66107	0.9
182.95944	1.0
197.04575	100.0
264.29337	1.0
277.09241	4.1
359.09891	77.2
449.08826	1.0
454.44812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16960	2.2
59.01375	29.6
71.01376	22.0
72.99314	4.7
73.02941	3.7
81.98820	2.7
85.02975	3.4
89.02440	17.9
96.95985	7.0
99.00893	13.7
101.02427	5.0
113.02420	6.0
149.02475	7.1
164.04816	27.4
175.03964	4.6
179.07143	5.2
190.02713	66.0
191.05676	4.4
205.05074	80.7
208.07483	12.3
223.06129	32.1
279.10126	3.3
294.09027	4.7
320.06424	3.5
323.09521	4.5
329.13892	6.1
353.10349	5.7
359.15131	19.3
371.14801	3.1
389.15988	5.4
413.14896	3.4
441.17816	3.3
469.28125	3.5
528.64471	3.4
577.30096	3.9
619.20111	20.3
637.21417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10459	0.6
63.80642	0.8
71.01379	38.2
71.37276	0.7
95.08440	0.9
97.02949	3.3
113.39195	0.8
115.00363	100.0
115.04007	11.2
231.71532	0.8
299.93176	0.9
306.90054	0.9
343.52640	0.8
451.16339	1.1
584.60852	1.0
585.40942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2147
Annotation	Aeschynanthoside C
Peak:m/z	Relative Intensity
59.01382	6.3
67.43528	0.7
70.74234	0.7
71.01366	4.8
72.99302	3.4
75.00858	9.0
82.39540	0.7
85.02945	1.5
89.02452	7.0
99.00877	7.4
101.02441	3.5
113.02438	4.9
117.03487	5.7
119.55539	0.8
134.03745	86.3
139.37547	0.8
142.75899	0.8
149.06085	14.7
149.68976	0.8
150.03268	1.3
160.01654	12.2
175.04002	29.7
176.04366	3.2
178.02736	11.1
193.05070	100.0
194.59071	0.8
223.24602	0.9
266.21326	0.9
300.73160	1.0
329.12317	1.3
365.93604	0.9
440.15826	0.9
441.16956	1.5
443.15485	8.9
461.16791	3.5
466.34744	1.0
468.79831	1.0
637.21606	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53939	0.5
54.50255	0.5
59.01376	6.0
63.81326	0.6
65.27216	0.6
71.01371	3.5
85.02942	0.9
87.00886	0.6
89.02435	6.2
99.00893	6.0
101.02436	0.9
113.02416	5.1
119.03522	0.8
119.04996	2.2
121.02962	1.1
130.66345	0.6
131.73909	0.7
137.06056	0.8
147.04471	5.0
149.01225	1.2
149.02438	35.0
149.04391	1.2
150.03079	1.1
160.01616	0.7
164.04796	90.2
165.05475	0.9
166.05817	0.6
175.00339	0.8
175.04050	1.2
179.07133	8.4
180.04161	0.8
190.02715	14.8
191.05592	0.9
205.05064	21.5
208.03828	9.3
218.74005	0.6
223.06129	100.0
413.14560	4.1
431.15762	1.5
441.16742	1.2
493.31137	0.7
588.79791	0.7
637.21478	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.0
60.97545	1.7
63.96241	4.1
71.01376	48.6
72.99306	9.4
73.02917	3.0
73.98303	2.0
74.99086	12.2
85.02940	10.3
87.00873	50.6
87.01387	2.2
89.02444	47.5
95.01411	2.7
99.00900	1.8
101.02448	25.9
113.02440	21.4
117.97282	3.7
119.03487	11.4
121.11508	1.9
121.50385	1.7
132.90390	1.6
135.98346	20.8
136.99126	10.8
138.03297	2.0
151.04001	8.7
153.05539	3.3
155.31310	1.7
160.05264	2.0
161.04572	3.1
179.05621	2.4
181.05104	6.9
188.04788	2.7
191.07178	3.0
203.07143	3.9
309.07623	2.7
323.22412	8.5
324.10056	13.9
329.14038	9.4
339.12411	15.1
346.93381	2.0
369.13397	3.5
369.21027	2.9
387.14484	2.6
471.07169	1.9
531.18707	9.1
637.21204	100.0
637.29498	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80770	0.8
54.04865	0.6
58.86296	0.8
59.54974	0.8
60.87001	0.8
80.69228	0.8
85.02917	0.8
85.51905	1.1
97.02950	1.3
164.01210	1.2
165.01929	1.3
186.11354	0.9
186.96666	0.9
225.09192	3.7
269.08209	100.0
447.69760	0.9
456.29306	1.0
456.55334	1.2
577.19287	48.2
637.21893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21700	0.6
57.70924	0.6
58.00599	0.6
59.01099	1.4
59.01379	26.6
59.39353	0.7
64.40751	0.5
66.92255	0.6
71.01378	14.1
71.02216	0.7
72.99311	3.0
75.48901	0.8
83.95254	0.6
85.02942	0.9
87.40961	0.6
89.02438	29.2
97.02924	2.9
101.02441	17.3
101.91561	0.7
113.02446	12.6
115.00343	1.1
115.04001	23.8
119.03487	14.1
123.04514	1.4
131.03581	1.1
131.04619	3.9
132.69589	0.7
133.01468	5.8
133.05057	5.0
143.03493	0.7
154.67035	0.7
173.22534	0.8
179.03554	2.7
179.05574	1.4
186.35074	0.8
197.04590	5.0
286.89847	0.7
295.10370	100.0
312.87524	0.7
314.19083	0.7
330.28992	0.7
508.17413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25152	2.5
84.72010	2.3
88.70723	2.2
112.62331	2.3
113.18138	2.7
139.93936	2.4
142.76421	2.6
163.19182	2.4
164.38039	2.5
236.47878	2.7
286.28720	2.7
300.79846	2.4
337.51663	2.5
394.24451	2.6
449.19772	4.0
504.18515	3.5
505.18353	4.7
515.20990	3.1
546.18768	3.5
637.23138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16190	2.1
57.55082	1.9
59.01408	2.7
72.33162	2.3
80.78184	2.3
90.18887	2.4
94.62206	2.3
117.29810	2.9
141.98174	3.1
152.99588	3.4
261.61148	2.4
265.21127	2.6
271.31366	2.9
318.00043	3.1
347.54822	2.6
431.18973	3.9
433.20282	19.7
446.21057	26.8
447.22067	48.8
457.20239	6.2
458.21082	3.6
461.23874	31.6
462.24155	22.0
473.16208	12.6
474.20865	20.0
488.18149	28.0
489.23148	31.1
490.16693	20.0
502.20206	3.8
504.18137	3.3
505.18893	41.9
506.23688	18.9
517.22510	5.9
561.21442	67.0
577.21185	4.6
578.21765	100.0
582.05292	2.8
593.24182	45.3
605.20441	5.2
637.23590	13.3
637.43616	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21279	0.5
54.24928	0.5
72.99306	5.7
114.13940	0.6
123.04473	2.8
133.01389	0.8
134.03748	3.9
149.06090	3.0
150.03209	0.7
165.05551	8.4
178.02725	3.3
179.03442	0.8
193.05070	19.8
197.04565	3.7
210.54488	0.6
211.06140	100.0
359.09732	3.2
373.11426	65.9
431.26837	0.6
503.12872	0.7
530.08533	0.7
637.17615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16058	1.4
59.01379	27.0
71.01381	21.9
85.02944	6.9
89.02427	25.5
92.30953	1.6
96.30414	1.4
96.95987	3.3
101.02417	14.1
113.02431	10.2
115.00362	8.5
116.92855	6.9
119.03467	6.9
133.01437	31.4
135.04443	2.0
146.03784	3.9
161.04590	3.5
161.05962	1.7
164.04768	11.0
179.05574	4.4
179.07126	82.6
197.04553	3.3
218.04567	1.6
314.36578	1.8
325.19824	2.0
366.29419	1.8
415.16241	20.8
524.47443	2.0
577.21436	100.0
637.18622	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32025	1.7
57.51404	1.7
59.01385	57.3
65.24299	2.3
67.56776	2.0
69.46441	2.0
71.01379	62.6
73.02960	3.1
85.02955	11.7
87.00871	2.0
88.98828	3.9
89.02440	54.6
97.02940	29.1
101.02442	39.5
111.00881	3.2
113.02444	28.4
115.04002	54.0
119.03491	27.5
124.00445	2.0
138.76256	2.1
139.04021	10.3
191.05574	5.0
200.70358	2.1
204.38495	2.1
249.23598	2.3
259.08295	50.7
277.09363	19.2
283.43506	2.6
287.79706	2.8
338.85550	2.4
449.96390	2.1
539.19897	100.0
571.52100	2.3
577.28931	2.8
579.33423	2.3
637.23474	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97998	0.8
58.99326	0.9
59.01378	2.3
63.45699	0.9
65.01809	0.8
69.23389	1.1
71.01391	8.3
73.02956	2.0
83.77180	1.1
85.02947	1.6
92.22492	1.3
99.00892	1.2
101.02448	7.1
113.02449	4.4
115.96716	1.1
121.02908	1.9
126.35442	1.2
129.01938	1.1
134.03748	2.1
135.04491	1.3
136.05315	12.6
137.06114	1.5
149.02458	12.9
150.03230	40.4
151.03999	1.6
151.07578	1.5
160.01677	1.4
161.04568	2.4
164.04779	16.5
165.05576	41.4
175.04045	9.1
176.04352	1.6
180.04317	1.4
188.56740	1.1
190.02966	1.0
195.06653	34.5
201.57430	1.1
219.77180	1.1
223.05978	1.2
263.11383	1.3
282.09030	1.8
283.09781	6.1
284.10522	7.0
300.09930	1.3
310.08597	10.0
311.09323	22.0
325.10843	17.1
343.11914	100.0
355.12228	1.4
391.13898	13.2
441.17218	9.9
589.23010	40.7
637.25116	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97998	0.8
58.99326	0.9
59.01378	2.3
63.45699	0.9
65.01809	0.8
69.23389	1.1
71.01391	8.3
73.02956	2.0
83.77180	1.1
85.02947	1.6
92.22492	1.3
99.00892	1.2
101.02448	7.1
113.02449	4.4
115.96716	1.1
121.02908	1.9
126.35442	1.2
129.01938	1.1
134.03748	2.1
135.04491	1.3
136.05315	12.6
137.06114	1.5
149.02458	12.9
150.03230	40.4
151.03999	1.6
151.07578	1.5
160.01677	1.4
161.04568	2.4
164.04779	16.5
165.05576	41.4
175.04045	9.1
176.04352	1.6
180.04317	1.4
188.56740	1.1
190.02966	1.0
195.06653	34.5
201.57430	1.1
219.77180	1.1
223.05978	1.2
263.11383	1.3
282.09030	1.8
283.09781	6.1
284.10522	7.0
300.09930	1.3
310.08597	10.0
311.09323	22.0
325.10843	17.1
343.11914	100.0
355.12228	1.4
391.13898	13.2
441.17218	9.9
589.23010	40.7
637.25116	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.9
59.49586	1.1
61.79006	1.3
65.93751	1.2
69.39675	1.2
69.93961	1.1
71.01379	11.1
73.02941	3.3
85.02941	2.4
89.02441	11.4
99.00935	1.6
100.28221	1.3
101.02436	11.0
113.02433	8.5
117.01958	1.3
119.03510	4.6
121.03034	1.6
122.03716	1.5
129.65219	1.5
134.03752	2.2
135.04524	3.1
136.05266	13.0
137.06096	1.5
149.02481	13.0
150.02107	2.6
150.03229	42.8
151.04082	1.6
161.04561	3.3
163.03989	1.3
164.04770	14.9
165.05557	34.0
173.11708	1.5
175.03952	5.2
177.05568	1.8
195.06639	40.9
218.08205	16.6
263.11444	3.0
265.08389	5.8
283.09836	6.2
284.10541	7.4
310.08508	7.3
311.09351	20.6
325.10815	19.1
343.11890	100.0
391.14188	11.5
441.17682	6.9
577.28717	5.6
589.23035	48.9
589.32257	2.6
593.31927	10.6
619.23535	2.7
637.25067	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
59.01387	19.3
66.40742	1.0
71.01377	14.8
72.99318	1.7
73.01514	0.9
73.02948	10.1
75.00877	1.0
83.01396	5.3
83.05019	1.1
85.02943	11.8
89.02427	5.1
95.01362	1.3
96.96017	1.1
97.02939	1.1
99.00859	2.0
100.04036	1.7
101.02442	20.5
107.13922	0.9
110.56484	1.0
111.00873	1.3
111.04540	1.9
113.02451	12.5
114.47167	1.1
115.04018	4.9
115.54369	0.9
122.03710	1.5
123.86321	0.9
127.04006	6.9
133.02917	7.3
134.03716	1.5
136.69890	1.0
140.91139	1.0
149.02425	7.5
149.06047	1.6
150.03244	28.3
155.03522	4.2
164.04849	7.9
165.05563	42.9
166.06345	1.6
175.04112	1.1
180.04128	1.6
181.08722	9.6
195.06670	5.8
199.02405	1.9
217.03549	7.2
282.38141	1.1
283.09906	1.2
314.11749	12.0
315.12320	2.0
329.13977	26.7
343.13855	6.5
344.12540	1.1
346.37753	1.0
437.14993	1.5
491.19330	59.2
512.04962	1.2
539.21436	100.0
596.30481	1.2
644.97772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2678
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.25092	0.5
53.90194	0.5
54.78200	0.5
61.61605	0.4
64.45104	0.5
83.32924	0.5
107.52690	0.5
113.40233	0.5
124.70290	0.5
125.91040	0.5
178.02722	0.6
193.05095	0.7
201.24611	0.5
236.85620	0.6
239.94344	0.5
405.20578	1.2
419.22424	27.9
437.23694	1.0
447.22000	3.2
461.57697	0.6
476.18585	37.5
490.20560	1.2
491.20917	3.1
561.25317	2.1
563.23041	1.3
573.57489	0.6
577.24652	0.9
578.25446	100.0
637.26526	5.0
637.37634	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38060	0.7
58.21396	1.0
59.01379	5.9
63.96238	1.6
66.22594	0.9
71.01379	11.2
72.99294	5.8
73.02943	2.1
74.99094	11.4
85.02945	2.1
87.00864	44.2
89.00668	0.9
89.02444	5.5
99.00873	2.2
101.02435	11.6
113.02449	6.1
117.97289	4.6
124.28951	1.0
135.98346	15.6
136.99168	6.3
151.00708	2.0
161.04544	2.1
164.07191	2.3
165.07465	1.4
196.79030	1.0
206.08215	3.9
207.08638	4.3
263.53485	1.2
323.22296	5.4
343.23370	1.1
358.93405	0.9
369.21158	3.7
483.58929	1.1
637.29193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2912
Annotation	Cycleanine N-oxide
Peak:m/z	Relative Intensity
58.46752	0.6
59.01115	1.0
59.01378	8.1
60.84012	0.7
63.96233	4.2
71.01384	11.1
72.88592	0.7
72.99306	4.4
73.02956	3.0
73.98319	3.4
74.99088	11.9
77.09389	0.7
79.17255	0.7
82.99380	0.7
83.01386	1.1
85.02943	3.7
87.00870	27.5
89.02454	3.9
99.00835	1.1
101.02439	11.6
113.02438	7.2
117.97321	3.7
119.03485	0.8
132.99698	0.8
133.89616	0.8
135.98354	16.2
136.07492	0.8
136.99141	10.4
151.00714	1.2
160.34709	0.9
161.04567	3.4
244.22768	0.8
272.17377	0.9
323.22275	7.3
329.14093	1.0
369.21130	3.5
405.82712	0.8
435.47571	0.9
637.29340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
66.07719	3.8
71.01382	3.6
78.95888	6.1
87.00848	6.1
89.02461	4.6
94.98050	5.1
96.85669	3.5
101.02441	5.0
112.21739	3.7
113.02423	5.4
152.99586	5.9
168.56996	3.5
171.10365	4.7
271.90915	3.5
277.21814	24.7
291.23178	4.2
311.22330	5.2
323.09903	7.0
341.10925	16.3
405.33295	4.0
475.24893	16.0
532.70941	3.9
555.28442	15.3
601.32806	29.5
637.30096	100.0
637.43201	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.7
68.86404	1.8
71.01378	29.0
73.02937	12.9
77.24138	1.8
85.02951	18.2
89.02428	23.6
99.00855	9.1
101.02431	33.0
113.02406	21.5
121.02930	2.6
142.85172	1.8
147.04520	7.6
149.02446	31.6
150.03185	4.1
161.04501	6.6
164.04790	85.6
165.05539	8.9
175.03999	8.1
176.04346	4.0
179.07112	10.2
190.02692	13.5
195.06529	2.2
205.05066	17.2
208.03763	9.9
208.89984	2.3
223.03993	4.5
223.06120	94.3
346.92258	2.1
380.28436	2.1
415.23303	3.2
441.16663	3.9
475.08810	2.0
577.28796	100.0
577.37933	4.5
601.21637	3.3
637.21362	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.6
71.01379	13.3
73.02958	7.6
78.95921	9.3
89.02439	20.7
95.51782	2.0
101.02437	20.8
113.02470	10.3
119.03483	4.7
129.81299	1.8
131.03520	4.6
161.04584	4.8
183.14005	2.9
211.13438	8.5
221.06857	10.0
223.06512	2.1
229.14578	2.8
295.22861	9.4
307.19339	3.1
313.24036	3.5
329.23447	23.4
431.31259	2.5
435.08340	2.2
637.34802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
61.21534	0.4
67.01891	0.7
71.01384	5.3
83.05054	0.5
85.02943	0.8
89.02457	0.8
95.05012	0.7
97.02958	2.9
101.02444	0.7
111.04517	2.1
113.02460	1.1
116.52312	0.5
120.66154	0.4
139.04016	6.2
184.01503	0.5
191.46811	0.5
275.20367	0.5
277.21753	100.0
291.23340	0.6
319.22867	0.7
359.13705	4.0
371.26190	0.5
375.25424	2.6
389.27039	6.0
417.26395	5.6
450.59662	0.6
637.36060	26.7
637.46558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
72.81312	0.6
78.95892	2.0
92.23094	0.9
93.83674	0.5
96.77613	0.5
97.02944	13.5
97.26383	0.5
99.04549	1.1
107.51745	0.5
113.02433	0.6
143.46056	0.5
152.99580	1.0
171.10286	2.8
209.11833	0.7
220.72693	0.5
255.23192	0.7
275.20541	0.8
277.21750	100.0
359.13651	2.0
359.20773	0.6
444.64050	0.6
637.43262	3.2
642.28650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82985	1.4
53.81690	1.1
62.65937	1.3
65.03979	15.1
71.05007	9.1
71.67012	1.5
77.71200	1.2
97.06578	21.1
104.25079	1.6
119.08635	7.0
121.06599	36.9
125.09703	26.0
179.89108	1.7
185.11819	29.2
189.12845	6.9
201.11409	1.8
203.64520	1.8
207.10022	34.1
209.11794	15.5
211.13428	17.1
231.13618	1.8
235.13414	30.3
237.14722	1.5
238.96803	1.5
257.11658	29.3
257.93500	1.6
259.13162	2.8
288.49695	1.8
289.18130	2.8
307.19150	16.4
308.19427	5.4
311.16223	6.0
326.30109	1.5
329.17392	30.5
329.23297	33.6
371.90225	1.5
637.37274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77143	0.9
55.94062	0.9
66.46922	0.9
68.85148	0.9
77.04646	1.1
79.95728	1.0
94.65679	1.0
102.67630	1.0
121.02969	4.4
122.03716	1.6
130.01364	1.2
149.02434	85.2
150.03207	41.4
164.04805	26.4
165.05565	47.9
180.04285	5.3
195.06616	30.9
198.11589	1.0
234.06473	1.3
244.98238	1.0
277.21704	15.8
279.23260	1.5
283.09863	2.2
314.11569	2.5
329.13849	5.1
427.28915	1.9
441.30417	1.4
511.57324	1.2
558.11591	1.1
574.32965	1.6
589.35394	100.0
637.38843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19770	0.9
59.01371	2.1
60.44882	1.2
69.84993	1.0
71.01363	1.2
71.04996	2.7
71.86588	1.0
73.02944	1.3
89.02480	1.8
95.19714	1.0
99.08118	1.8
101.02431	1.3
109.54134	1.2
135.71104	1.1
137.15753	1.1
139.11252	2.5
145.26735	1.2
153.88521	1.2
168.61739	1.3
171.10275	10.7
183.13885	2.2
185.11987	1.7
210.05373	1.2
211.13411	28.2
223.13324	1.5
229.14523	17.4
235.13385	2.8
307.19241	10.7
311.22400	1.3
329.23383	100.0
437.84399	1.6
606.84192	1.3
637.34662	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23612	4.4
57.82087	4.5
59.01384	100.0
79.36205	5.0
89.51031	5.0
110.38223	6.0
172.08191	5.7
378.72873	6.3
409.53363	6.1
438.30704	6.1
577.50659	12.8
598.52454	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51749	2.2
61.98833	100.0
66.47499	2.7
66.92378	2.9
68.37720	2.9
158.27284	2.7
218.48283	2.9
252.15363	3.0
367.50534	3.4
379.05524	3.1
522.24298	3.8
528.75922	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59000	0.4
61.98832	100.0
66.32039	0.3
67.43404	0.3
70.26451	0.4
73.79182	0.3
220.45963	0.4
292.45642	0.4
304.28497	0.4
337.42624	0.4
409.50403	0.4
498.37906	0.4
518.29584	0.4
534.59460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	100.0
78.95899	0.7
96.75401	0.3
126.85108	0.3
143.66934	0.3
144.65967	0.3
196.90021	0.3
229.69016	0.3
269.55707	0.3
277.21472	0.3
279.23431	2.2
304.76901	0.3
325.31497	0.3
637.44678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23774	0.4
54.78444	0.4
59.01373	0.5
65.08105	0.4
68.64011	0.4
71.01389	2.6
73.74782	0.4
85.02961	3.2
87.00866	0.5
98.76672	0.5
110.28593	0.4
113.02446	100.0
119.05026	24.7
150.03291	0.7
163.04024	32.4
165.05554	0.8
191.05421	0.6
214.92543	0.5
217.08722	2.7
227.21568	0.5
433.15146	4.1
477.14114	1.1
492.19391	0.7
540.21851	0.9
591.17340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.8
60.34581	0.6
69.03448	0.5
71.01376	9.7
85.02950	2.3
97.89928	0.7
113.02448	100.0
119.05021	15.9
133.06529	0.5
161.06046	1.3
163.04015	24.4
205.05095	2.0
210.65735	0.6
215.07158	1.1
217.08762	2.4
254.14348	0.6
271.09811	2.2
388.07248	0.8
442.20724	0.6
477.13885	5.8
524.13898	1.0
591.17499	8.8
610.36987	0.7
638.17102	2.1
638.28918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
60.49945	2.1
61.63266	1.9
71.01363	3.2
80.82614	2.4
83.65283	2.1
85.02962	3.5
92.22526	3.5
101.02440	2.3
103.04019	10.1
104.42001	2.2
115.03982	9.6
118.70185	2.2
126.28559	2.1
131.69325	2.2
133.05060	22.1
188.03481	2.9
195.34241	2.0
201.05522	2.9
216.08043	8.3
231.06694	3.0
231.10310	12.2
246.08859	2.4
261.11337	4.7
303.05356	5.2
304.06116	10.0
305.04581	9.2
318.07736	52.1
319.08572	11.8
328.09940	2.5
332.05716	61.9
347.08017	42.9
356.09421	14.0
358.03479	4.9
362.10413	100.0
371.11786	4.0
386.10211	23.4
386.14517	2.4
388.07999	2.6
404.15851	2.6
416.15137	12.7
478.15237	32.5
481.63544	2.4
522.14221	17.5
638.18732	25.6
638.30164	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
60.49945	2.1
61.63266	1.9
71.01363	3.2
80.82614	2.4
83.65283	2.1
85.02962	3.5
92.22526	3.5
101.02440	2.3
103.04019	10.1
104.42001	2.2
115.03982	9.6
118.70185	2.2
126.28559	2.1
131.69325	2.2
133.05060	22.1
188.03481	2.9
195.34241	2.0
201.05522	2.9
216.08043	8.3
231.06694	3.0
231.10310	12.2
246.08859	2.4
261.11337	4.7
303.05356	5.2
304.06116	10.0
305.04581	9.2
318.07736	52.1
319.08572	11.8
328.09940	2.5
332.05716	61.9
347.08017	42.9
356.09421	14.0
358.03479	4.9
362.10413	100.0
371.11786	4.0
386.10211	23.4
386.14517	2.4
388.07999	2.6
404.15851	2.6
416.15137	12.7
478.15237	32.5
481.63544	2.4
522.14221	17.5
638.18732	25.6
638.30164	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67456	0.5
60.34898	0.5
60.50180	0.5
63.17988	0.6
67.89342	0.5
71.01379	8.6
72.99303	1.3
87.83186	0.6
89.02437	1.1
89.22196	0.6
115.00359	39.0
133.01422	100.0
440.98837	0.7
523.71674	0.7
621.56018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92137	1.5
54.12140	1.6
54.59835	1.6
71.01391	8.5
74.81515	1.7
75.98785	1.7
89.41758	1.9
97.89896	1.8
115.00365	46.8
125.75146	2.0
133.01431	100.0
133.02437	3.6
150.60138	2.0
157.26381	1.9
220.96265	2.0
236.49785	2.0
368.58392	2.0
553.99066	2.0
640.47223	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60713	0.4
56.36472	0.4
71.01378	7.0
72.99304	1.9
76.62253	0.4
89.02450	2.3
115.00361	38.8
133.01430	100.0
207.43874	0.5
546.61853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00461	0.5
52.06959	0.4
61.74422	0.4
71.01376	7.7
72.99311	1.0
76.04031	0.6
89.02413	0.7
100.62954	0.5
115.00356	34.4
125.34486	0.5
126.14608	0.6
133.01424	100.0
152.40076	0.5
286.67569	0.6
325.04715	0.6
332.54919	0.5
482.92892	0.6
510.67819	0.7
521.56964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50376	1.0
66.64715	1.4
71.01380	3.3
78.12233	1.3
80.59887	1.1
115.00372	36.8
133.01434	100.0
139.63153	1.4
224.30846	1.4
257.77036	1.7
401.89029	1.8
403.09021	1.4
607.86584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10559	0.4
59.01388	6.9
60.01716	0.6
61.98834	100.0
83.84397	0.4
93.00999	0.4
136.52209	0.6
161.94649	0.6
182.19417	0.4
183.13263	0.5
214.54941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11600	1.1
57.90658	1.1
71.01381	1.6
85.22517	1.4
95.68022	1.5
109.70278	1.3
110.35255	1.2
112.92892	1.4
135.04520	1.5
149.02396	1.8
162.05618	100.0
164.04796	6.1
175.00323	1.7
190.02776	21.7
191.03545	7.9
191.05550	2.7
195.43082	1.3
205.05081	48.1
209.37129	1.4
223.06136	6.8
269.10553	2.6
270.11401	22.7
340.11926	6.2
350.18008	1.7
367.10498	3.1
638.22528	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96976	0.6
59.76469	0.7
61.98820	0.9
62.42511	0.7
63.77064	0.7
71.01383	1.1
77.92530	0.7
99.34496	0.7
149.02440	1.4
158.58926	0.8
162.05621	100.0
164.04802	5.4
176.01140	3.8
179.07195	1.6
183.41864	0.8
190.01036	1.1
190.02737	23.9
191.03458	7.5
205.05083	46.9
205.29160	0.8
209.04425	1.1
223.06190	6.2
250.85977	0.9
269.10748	1.4
270.11441	19.6
317.15887	0.9
367.10382	5.4
393.41241	0.9
407.69278	0.8
432.16763	3.4
434.78152	0.9
545.26825	1.0
629.29321	0.8
638.22589	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98832	100.0
63.91426	0.3
71.01378	0.8
81.26673	0.3
89.02436	0.7
101.02435	0.9
113.02434	0.5
117.12198	0.4
118.73649	0.4
119.03475	0.6
123.45430	0.4
184.53578	0.4
416.46735	0.4
444.31674	0.5
478.23605	0.7
479.23901	0.6
480.24438	1.0
638.34686	2.2
647.16766	0.5
660.74023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84368	0.4
57.76340	0.4
59.94963	0.4
61.98836	100.0
67.15373	0.5
71.01371	0.9
86.58419	0.6
98.06870	0.6
101.02409	1.1
111.09193	0.5
113.02441	0.6
149.75497	0.5
212.15089	0.6
329.15262	0.7
420.14166	0.6
479.23920	0.7
480.24423	2.2
638.25873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45114	0.4
55.27011	0.5
92.92077	0.7
105.30175	0.7
118.02967	2.5
136.04041	100.0
146.06125	8.0
149.02377	0.7
153.68057	0.6
162.05673	1.0
164.04793	3.2
190.05165	1.3
200.60385	0.6
223.06183	3.1
224.06523	1.0
234.04054	14.5
266.06702	16.8
270.78976	0.7
447.56277	0.7
638.21283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63446	0.4
56.82048	0.4
58.02333	0.4
66.27949	0.4
68.80373	0.4
75.16935	0.4
78.46068	0.4
78.95904	4.8
79.62001	0.4
80.48531	0.4
102.47247	0.5
122.00101	4.1
140.01152	2.5
152.99594	19.6
196.03815	9.1
214.04918	2.3
268.05969	2.4
279.23309	100.0
367.86591	0.6
398.91675	0.5
470.28625	0.5
476.27792	10.0
518.28809	0.8
638.33215	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22727	0.5
60.20710	0.5
65.96529	0.7
77.13436	0.6
77.71174	0.6
78.95889	5.0
80.96521	2.4
99.58490	0.7
140.01222	3.5
150.27869	0.6
152.98523	0.8
152.99603	10.4
195.67622	0.6
196.03809	12.2
209.33861	0.6
214.04924	2.6
225.00800	1.2
238.04898	0.9
279.23315	100.0
476.27771	13.1
480.42697	0.7
518.29034	2.6
555.29230	0.7
556.28943	8.2
638.33319	46.6
638.44061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65285	2.3
57.22268	2.4
62.69916	2.7
64.98389	2.7
67.04388	2.3
146.86374	2.9
153.12857	12.9
166.02362	2.9
167.14470	10.5
197.11842	18.6
211.13391	19.5
214.14505	29.3
215.12912	14.4
228.16060	32.7
229.14432	11.2
257.98434	3.5
281.88318	3.1
409.30801	5.3
423.32401	12.3
479.71741	3.9
638.47589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18949	0.4
56.79405	0.4
57.29671	0.4
60.04537	0.6
70.21724	0.5
88.04035	6.2
92.22594	0.7
94.80497	0.6
100.04046	5.9
111.08128	2.3
177.42737	0.6
182.13185	0.6
183.13908	66.8
198.70129	0.6
211.13390	0.7
223.20555	0.8
253.21725	2.5
265.21799	2.5
276.23221	0.8
277.21820	7.0
293.60019	0.6
295.22821	100.0
299.00061	0.6
342.26544	17.0
356.73248	0.6
404.36673	0.7
411.42889	0.6
441.75754	0.6
478.33536	0.7
549.70599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1938
Annotation	Plantainoside D
Peak:m/z	Relative Intensity
50.06765	0.4
55.50692	0.4
56.27661	0.4
59.01379	3.5
60.69382	0.4
63.22516	0.4
63.67217	0.4
69.35862	0.4
77.71011	0.4
83.15356	0.4
88.51425	0.4
89.02423	3.5
92.22420	0.6
96.66664	0.5
101.02422	2.7
113.02450	0.8
118.94946	0.5
119.03474	1.8
133.02934	3.5
135.04549	8.6
153.05522	0.6
155.82840	0.5
161.02440	100.0
179.03511	4.6
185.31926	0.5
221.04652	0.9
223.06004	0.6
233.08147	0.9
241.29068	0.5
243.21402	0.5
281.06686	0.7
315.10916	6.4
477.14066	41.5
517.92944	0.6
639.19360	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1951
Annotation	Isolugrandoside
Peak:m/z	Relative Intensity
50.53007	1.1
54.36881	1.1
56.64087	1.4
56.66404	1.1
58.85480	1.0
59.01378	7.2
60.07040	1.4
72.99299	57.1
78.58984	1.4
87.00862	8.2
89.02434	7.8
92.23130	1.5
101.02422	5.4
111.76888	1.6
113.02469	2.2
119.03497	1.4
120.99670	1.6
123.04517	31.4
135.04524	30.1
151.04047	2.0
161.04369	1.6
164.04890	2.1
165.05574	2.8
174.13049	1.3
179.03522	60.5
191.03456	10.2
195.06636	1.5
197.04573	53.7
209.04558	6.2
211.06227	2.9
353.09009	5.6
427.12405	12.7
429.54871	1.5
537.72241	1.7
565.16388	2.2
599.06628	1.7
639.19617	100.0
639.29443	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01026	0.6
53.05873	0.6
63.31550	0.7
69.74336	0.8
72.99306	26.2
76.37693	0.7
80.51986	0.7
91.72917	0.8
123.04515	6.4
135.04498	6.6
179.03494	34.9
197.04564	100.0
203.04007	0.8
242.80090	0.9
347.69492	0.9
359.09882	78.5
522.74432	0.8
587.66412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55332	0.4
58.22916	0.4
59.01384	100.0
64.59699	0.4
77.62380	0.4
79.83144	0.5
85.02975	0.9
103.00372	45.0
103.04016	6.1
105.14595	0.4
113.59840	0.4
115.04032	0.8
133.05067	61.1
175.06114	14.5
191.05771	0.7
219.05072	3.9
239.49103	0.5
366.63519	0.6
370.62701	0.5
452.51639	0.6
542.96893	0.6
639.17371	1.0
653.86047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53952	1.6
53.10654	1.6
59.01379	7.9
70.74845	1.5
71.01378	1.8
75.00862	3.5
85.02931	1.7
93.83513	1.5
108.54709	1.5
111.61430	1.5
137.02423	6.7
166.02725	28.6
168.47198	1.7
175.09729	26.1
181.05070	63.5
205.08806	2.0
222.45026	1.4
260.76270	1.6
272.81665	1.6
368.46710	1.9
387.10849	31.7
402.13235	23.4
413.52435	1.7
417.15582	100.0
511.47772	2.1
579.21564	1.8
579.30334	2.5
646.66071	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04012	0.5
57.35607	0.5
63.32872	0.4
71.01376	0.5
72.99296	2.3
75.00869	100.0
83.46452	0.5
91.97247	0.5
103.13251	0.5
106.99709	0.5
134.51109	0.5
155.03619	0.5
159.89438	0.5
291.84705	0.5
416.30713	0.5
475.75476	0.6
579.26471	0.7
615.59711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35546	0.7
57.03440	0.8
59.01377	16.8
59.49065	0.7
62.73607	0.6
68.92046	0.8
71.01375	17.9
72.99287	0.9
73.02945	9.5
83.01374	3.9
85.02936	7.2
87.00877	1.6
89.02439	13.2
91.11899	0.8
92.10966	0.8
92.22437	0.8
97.02952	1.0
99.00860	6.7
101.02435	22.2
113.02448	11.4
125.02406	3.3
131.03459	1.9
143.03471	2.9
149.04590	1.0
158.99632	0.8
159.02985	1.7
161.03336	1.4
161.04564	25.0
164.68581	0.9
190.35283	0.8
196.61320	1.0
197.04616	1.1
235.37155	0.9
315.18185	33.3
447.22394	33.1
502.31580	0.9
518.15771	1.0
579.26855	100.0
639.26135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64645	0.3
59.01377	0.8
59.86586	0.3
66.68969	0.3
71.01360	0.5
85.02946	2.5
87.00847	0.4
93.03461	0.6
94.53214	0.3
96.55982	0.3
101.02422	0.5
127.03979	0.7
151.04002	0.4
152.99600	0.5
173.04582	0.6
191.05630	100.0
197.04529	0.4
200.88547	0.5
203.10519	0.4
206.15329	0.4
238.01965	0.4
241.07658	0.3
323.09366	0.5
410.73477	0.4
447.22476	0.6
639.21930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24039	0.3
56.43753	0.3
59.01372	1.8
85.02935	2.9
89.02486	0.3
93.03441	0.3
101.02409	0.4
109.02931	0.4
111.04501	0.4
113.02450	0.4
127.03989	0.6
134.03763	0.5
145.00246	0.4
168.16553	0.3
173.04529	0.5
191.05629	100.0
193.05074	1.3
356.99530	0.3
433.23953	1.0
487.64026	0.3
636.29742	0.3
639.26855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
66.25024	2.6
71.01395	4.3
78.95902	16.3
81.99889	3.3
87.00861	5.3
89.02414	3.5
96.84116	2.8
97.12769	2.8
101.02365	3.4
107.49306	2.7
125.09734	2.8
152.99570	52.6
155.97327	3.1
171.10344	3.7
177.79372	3.2
235.49345	2.8
279.23285	31.4
323.09863	3.8
341.11072	5.6
425.35107	3.1
458.11057	3.0
477.26364	6.9
603.34155	29.7
639.31702	100.0
639.44562	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79982	0.7
55.85026	0.7
59.01369	0.9
61.98838	1.1
67.92916	0.7
84.54951	0.8
84.66293	0.8
89.51096	0.8
90.37923	0.8
91.51059	0.8
101.02470	1.2
102.95639	0.8
108.60506	0.9
113.02331	0.8
117.03477	6.6
119.04989	4.4
125.11407	0.9
143.37764	0.9
145.02959	100.0
163.03975	8.0
167.00832	0.9
280.50491	0.9
295.10843	1.7
321.08701	1.6
329.23413	1.4
416.27139	1.0
495.33090	1.0
525.30493	0.9
607.22266	4.1
639.31891	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3185
Annotation	Kidjoranin-3-O-beta-digitoxopyranoside
Peak:m/z	Relative Intensity
53.68432	0.4
59.01374	0.6
64.56309	0.4
71.01398	0.5
73.95397	0.4
83.96753	0.4
89.02438	1.8
101.02416	0.4
117.03461	6.9
119.05020	5.7
139.13594	0.4
145.02954	100.0
161.06059	0.5
163.04033	9.7
297.40802	0.4
300.04367	0.4
307.65735	0.5
355.65027	0.5
381.06378	0.5
396.17145	0.5
639.31812	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.9
60.55273	1.0
71.01380	29.1
73.02947	9.3
81.22433	1.1
83.01348	1.2
85.02945	7.8
87.00877	1.6
89.02457	18.2
93.73511	1.3
95.01363	1.4
99.00841	3.2
99.92660	1.8
101.02448	24.0
113.02457	20.3
115.04020	2.3
116.92848	20.7
117.01908	5.7
117.78247	1.4
119.03477	6.9
127.03982	2.1
135.04500	1.8
135.37398	1.3
139.83543	1.3
155.03532	1.7
161.02466	2.5
161.04549	6.2
163.04024	2.5
179.03514	1.9
184.09920	1.7
219.88896	1.2
352.92477	1.3
417.25629	1.4
504.93320	1.3
541.19232	2.2
579.30267	100.0
639.21704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32663	0.5
53.60861	0.5
55.01877	0.9
59.01102	1.2
59.01384	30.4
69.83772	0.6
70.50098	0.6
71.01378	23.6
72.99328	0.8
73.02940	5.0
81.13743	0.6
83.01389	3.0
85.02959	9.9
85.19422	0.8
87.00858	1.1
89.01875	1.0
89.02435	24.5
89.02957	1.1
92.22453	0.8
95.01393	1.6
99.00889	3.3
101.02439	26.9
104.98884	0.6
113.02444	17.9
119.03491	10.0
129.01920	0.8
137.02400	0.9
161.04509	1.1
165.05539	1.0
166.02715	1.3
181.05061	6.8
191.03745	0.7
197.04565	0.9
244.31812	0.7
277.10748	0.8
326.45413	0.9
336.95212	0.8
387.10828	4.1
393.57443	0.7
402.13104	1.3
417.15646	11.0
417.24362	2.3
443.15610	1.0
579.30298	100.0
639.23712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36370	1.6
59.01387	35.6
63.75320	1.8
71.01379	26.8
83.01357	1.9
85.02940	2.5
87.00864	5.2
89.02439	43.3
101.02452	18.1
113.02444	13.6
116.92838	3.6
119.03458	14.0
143.03592	2.5
179.05569	8.8
202.69707	2.1
255.23297	100.0
269.24786	4.4
304.81174	2.5
323.10001	17.0
341.11035	20.1
358.17407	2.5
579.33990	84.5
603.39209	2.8
639.44574	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78383	1.9
57.08744	1.9
59.01374	19.9
62.55587	1.9
71.01371	14.1
83.01392	2.3
87.00861	26.8
89.02432	23.3
92.22441	2.1
101.02428	16.8
113.02431	23.9
119.03448	3.9
141.01959	2.1
142.51753	2.0
143.03506	3.6
149.08983	2.1
161.04575	2.7
255.23293	83.5
269.24869	43.8
283.19189	2.8
297.24554	3.5
315.60928	2.4
323.09937	20.5
341.10950	26.2
355.89124	2.9
579.33923	100.0
639.44745	8.1
652.06458	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3732
Annotation	Guineamide C
Peak:m/z	Relative Intensity
51.60136	3.8
56.37882	3.4
62.00683	3.2
72.71277	3.3
96.95974	4.1
111.86996	3.8
127.05108	6.7
140.07124	4.0
152.84691	4.0
158.43517	3.5
165.10277	7.3
167.03424	3.8
183.83372	3.6
184.07301	8.4
198.08928	6.6
200.14038	19.6
222.12469	16.7
223.10957	4.5
240.13547	28.4
270.66605	4.7
308.81583	4.3
410.24066	7.9
424.25616	45.5
577.33063	7.9
595.34381	18.0
639.14417	6.2
639.27283	6.5
639.37292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3759
Annotation	Guineamide C
Peak:m/z	Relative Intensity
50.41952	1.8
59.01368	3.7
65.55467	2.0
69.85108	2.3
71.01373	3.5
71.92452	2.0
78.95903	5.2
85.02917	2.4
97.02937	43.8
101.02457	9.2
111.08107	3.5
113.02477	10.2
115.03998	4.3
152.99571	5.1
161.04617	3.0
171.10260	43.3
173.08176	10.0
174.93558	2.2
195.13820	8.1
242.15041	2.5
245.90120	2.2
250.65216	2.9
255.23253	4.4
260.86212	2.3
263.11328	17.0
277.21735	58.9
279.23215	5.1
295.22794	100.0
370.52399	2.7
375.25159	2.4
393.26492	14.9
449.58286	2.4
639.37256	99.7
663.72632	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
71.01372	6.5
74.30639	0.8
74.81797	0.8
75.73521	0.8
78.38276	0.9
78.48181	0.8
78.95910	1.4
85.02947	3.3
89.02429	6.1
101.02438	6.3
113.02441	4.1
113.09740	2.0
119.03444	2.0
152.99617	1.2
161.04573	5.3
171.10303	0.9
195.13921	28.3
209.11794	1.6
263.08710	1.6
263.11365	32.5
269.21381	6.1
277.21744	22.2
295.22818	100.0
366.72516	0.9
393.26352	4.5
581.76355	1.0
639.44946	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3761
Annotation	Guineamide C
Peak:m/z	Relative Intensity
59.01385	3.9
60.68973	0.4
61.61649	0.5
64.09349	0.4
65.59212	0.4
65.76467	0.4
71.01376	3.2
78.95914	0.6
88.31050	0.5
89.02419	0.5
93.03515	0.5
95.05029	0.9
97.02959	3.2
99.04497	0.6
111.04517	1.0
139.04024	7.0
149.51999	0.4
197.78592	0.5
276.46832	0.4
279.23312	100.0
293.24765	0.5
321.24478	0.6
329.24573	0.5
359.13574	4.3
362.14249	0.5
373.27612	0.7
377.27078	2.5
391.28598	6.0
419.27966	4.1
639.37573	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3757
Annotation	Guineamide C
Peak:m/z	Relative Intensity
50.16602	1.0
50.48340	1.1
54.76106	1.0
58.92463	0.8
59.01382	4.6
59.88657	0.9
63.08506	1.1
66.68462	0.9
71.01402	1.0
78.84641	1.0
85.02972	1.1
113.02452	5.3
136.05292	49.0
145.02959	11.5
148.90057	1.2
149.06126	4.5
152.99551	2.3
159.16835	1.2
162.06920	5.3
256.74234	1.2
416.29465	5.5
430.31406	1.5
431.31677	28.3
458.30692	5.3
476.31244	8.4
477.32288	48.0
639.37958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.376
Annotation	Guineamide C
Peak:m/z	Relative Intensity
54.12786	1.4
56.54737	1.4
59.01381	38.5
61.98832	2.4
71.01382	25.9
73.02954	16.9
83.62539	1.9
85.02939	7.7
85.71810	1.4
89.02435	40.8
99.00870	65.6
101.02425	14.5
103.40051	1.8
113.02451	22.8
119.03474	7.6
131.03458	8.3
134.36566	2.0
141.05040	1.9
149.04530	4.4
161.04546	3.2
171.10269	3.2
191.05556	13.5
254.06685	1.8
277.21722	87.5
291.23288	3.1
293.21179	2.7
379.15912	20.4
455.04614	2.0
457.63449	1.9
529.86725	2.0
603.42841	14.4
612.39807	2.4
639.37549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3915
Annotation	(9Z,12Z)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12-Octadecadienoic acid
Peak:m/z	Relative Intensity
51.55780	1.7
71.90080	2.2
73.27106	2.0
88.92787	1.8
109.02986	2.7
119.34634	2.1
132.13602	2.0
171.41782	2.9
176.74411	2.5
311.05582	3.1
313.07098	2.8
321.04056	3.8
327.08923	4.3
455.31567	3.1
485.32831	3.0
639.39130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	11.4
62.29212	1.7
66.41794	1.6
77.28839	1.7
84.75098	1.8
92.88226	1.6
97.02977	2.3
102.75185	1.8
115.50615	1.8
130.41718	1.7
135.33971	1.7
138.71762	2.0
171.10303	8.4
183.13930	12.8
184.63463	2.0
211.13394	3.8
230.24361	1.8
233.15594	2.4
235.17085	8.4
275.20227	16.8
277.21793	9.9
291.19724	13.4
293.21216	26.2
309.20828	11.9
327.21826	3.5
426.70328	2.5
434.13428	2.1
448.22333	8.4
449.22723	3.3
463.25006	3.9
473.23477	3.3
489.19138	3.5
490.19943	10.6
491.23776	2.9
492.17834	3.1
501.23114	2.6
507.20233	12.0
545.22058	9.6
563.22717	27.3
579.22168	2.8
580.22980	50.4
595.24896	4.5
603.42792	100.0
639.24170	9.0
639.33667	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57843	1.0
59.07177	1.1
59.86815	1.0
60.03639	0.9
61.98821	1.1
63.34616	1.1
69.94040	1.2
70.31993	1.0
91.38442	1.2
110.80347	1.1
126.71452	1.2
135.41907	1.1
139.11292	25.3
162.06830	1.7
163.07608	1.8
167.10767	58.4
187.07610	2.2
200.08484	1.6
213.09250	2.6
214.09915	8.3
215.10780	9.7
227.10780	1.6
228.11606	8.6
229.12334	1.8
241.12433	2.5
242.13205	5.8
243.13904	32.9
256.14728	15.2
267.17560	4.9
270.16290	52.7
273.54153	1.2
285.18616	62.7
428.36688	5.6
437.34439	1.3
551.48468	28.3
595.47388	100.0
612.29474	1.2
639.46405	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.8
59.37016	0.5
60.38609	0.6
78.95889	0.9
98.00040	0.6
104.95381	0.6
105.14794	0.6
108.66589	0.6
171.10284	0.6
183.13939	4.4
214.77650	0.7
245.41917	0.7
251.20164	5.6
269.21237	100.0
345.50949	0.7
375.25601	0.7
394.36328	0.7
457.83502	0.8
607.19580	0.7
639.45007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98522	4.5
61.98830	100.0
67.05798	3.3
72.45288	3.6
88.32946	3.5
111.20193	2.8
254.11304	3.2
262.41943	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
73.79131	1.0
79.94917	1.1
80.08328	1.2
105.21055	1.1
108.90979	1.3
119.35774	1.2
280.71335	1.4
287.34546	1.2
392.81613	1.3
503.91931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81690	0.6
60.73185	0.6
61.98831	100.0
79.71281	0.6
92.22570	0.9
105.48730	0.6
113.02561	0.6
134.03717	2.8
140.32211	0.8
174.61339	0.7
193.05104	3.0
247.67693	0.7
276.67838	0.7
403.48792	0.8
508.72394	0.8
519.25861	0.8
554.23474	0.7
577.19128	1.4
641.93616	0.8
652.22101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07327	1.1
51.99705	1.2
76.83940	1.4
80.64899	1.3
104.99158	1.6
120.01238	100.0
120.84540	1.4
133.01424	2.9
289.71942	1.6
327.12415	8.7
357.13470	8.1
519.18890	21.2
640.20660	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61207	1.2
59.85678	1.0
61.58863	1.2
112.32510	1.7
120.01244	100.0
129.92879	1.3
133.01413	4.9
191.07286	1.4
248.73463	1.5
263.66397	1.5
327.12234	9.0
357.13483	8.6
519.18945	12.2
640.20862	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87603	0.9
58.57755	0.9
59.01387	1.4
64.54819	1.1
64.55143	1.2
67.59537	0.9
71.01328	1.0
71.39278	1.1
83.94310	1.2
92.23038	2.1
129.59378	1.3
156.10294	2.4
218.10339	100.0
218.38260	1.2
227.12564	1.1
421.21121	2.1
646.35181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58608	0.6
54.95529	0.6
66.08659	0.6
68.01741	0.6
78.95899	5.9
88.47330	0.7
140.01196	2.6
141.95276	0.7
143.39064	0.7
152.99593	13.4
196.03821	13.3
202.82472	0.7
206.34387	0.7
214.05061	0.9
268.05869	1.0
281.24884	100.0
478.29352	10.3
520.30731	1.3
640.34772	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34745	1.6
58.92934	1.4
60.22193	1.5
60.38807	1.5
61.98835	100.0
79.71687	1.7
88.63383	1.6
88.82866	1.4
93.50158	1.5
106.22777	1.5
141.54778	1.6
147.19771	2.2
174.59796	1.8
176.38945	1.9
577.37415	2.4
583.66510	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57565	1.2
72.40389	1.3
78.95925	2.8
97.17422	1.5
108.02191	11.2
108.76427	1.3
109.02946	52.9
125.56435	1.3
142.24353	1.3
150.04181	2.9
151.00360	1.6
152.01152	21.0
153.01933	100.0
156.86893	1.6
163.03935	2.8
191.05580	2.3
196.06448	1.4
315.07224	40.8
325.09457	2.8
335.98749	1.7
637.44366	1.9
641.14063	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33060	1.1
57.50254	1.3
59.01374	7.6
59.37448	1.2
71.01344	1.6
80.12201	1.5
81.03438	5.6
83.05025	2.8
85.02920	5.2
87.00898	1.6
89.02453	2.8
93.03440	2.2
95.03651	1.4
101.02449	2.3
109.02941	1.8
111.04509	40.9
118.01459	3.1
119.04988	12.2
127.04004	100.0
137.02455	5.9
155.03500	61.7
155.04440	1.5
163.04002	30.6
173.04285	1.7
190.76720	1.5
199.02490	60.5
217.08676	21.3
228.54697	1.4
251.24123	1.5
261.07678	15.6
294.07202	2.0
298.75613	1.8
317.19843	2.6
321.09891	2.0
381.12100	3.2
441.14365	5.4
641.17053	20.2
641.25897	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99598	1.2
57.87980	1.6
59.01372	10.0
59.29756	1.4
71.01369	8.6
72.99298	56.1
89.02448	10.7
93.03448	2.1
101.02419	7.2
113.02423	2.3
114.19167	1.6
115.04018	2.5
119.03474	2.0
123.04511	14.4
134.03748	5.5
135.04506	19.8
137.02441	24.4
150.03174	1.9
151.03976	3.7
165.05548	6.6
179.03503	66.2
193.05084	15.5
197.04564	92.9
211.06105	34.8
279.10864	6.6
281.06656	32.2
359.09738	2.5
377.14551	13.5
479.11887	40.8
524.46869	1.9
641.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00153	1.1
55.28122	1.0
59.01378	2.5
59.86589	1.1
68.81429	1.1
73.30312	1.0
81.03455	5.4
83.05027	4.9
85.02949	7.2
89.02418	1.5
89.75074	1.0
91.10699	1.1
109.02957	4.8
111.04515	46.5
113.02438	1.2
119.05010	11.2
127.04010	100.0
130.44287	1.2
137.02448	9.0
149.69878	1.2
153.01903	9.1
154.71310	1.3
155.03506	69.7
163.04028	24.7
188.48590	1.3
199.02502	67.1
217.08722	20.7
261.07687	21.8
321.09900	5.7
381.11877	6.0
441.14008	7.3
540.64471	1.3
641.17316	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30128	0.7
57.01667	0.7
60.97272	0.7
61.73243	0.7
65.37647	0.8
71.01393	1.4
72.71507	0.7
85.02970	1.3
93.03455	1.7
108.02170	23.8
108.72660	0.8
109.02951	18.4
113.02438	0.9
116.92858	11.3
123.04529	0.9
135.04547	1.1
137.02443	9.5
138.24475	0.9
151.04024	1.0
152.01152	52.5
153.01935	26.8
165.01907	1.9
200.26161	0.9
281.54538	0.9
299.07864	4.3
315.07266	100.0
351.46710	1.1
424.54352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86281	1.5
71.01331	1.8
72.99300	46.5
79.44576	1.6
93.03447	1.7
104.85188	1.7
123.04517	11.1
135.04518	11.3
136.74974	1.8
137.02438	22.0
173.37029	2.1
179.03505	56.7
197.04573	100.0
199.21045	1.9
223.07346	2.2
239.05779	2.6
281.06696	33.2
347.11395	2.2
381.12894	1.9
383.09042	1.9
479.12112	30.6
552.97595	2.3
641.07361	3.6
641.17395	90.5
641.28375	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75758	1.2
56.36115	1.3
59.01379	10.6
67.05544	1.3
71.01380	6.4
71.04980	1.3
78.77303	1.7
79.88825	1.7
81.03461	6.8
82.19132	1.4
83.05046	2.1
84.19424	1.7
85.02948	7.9
87.10960	1.4
88.98839	1.5
89.02449	6.3
93.03477	3.0
96.68195	1.6
99.00859	3.4
101.02439	2.7
111.04515	45.0
113.02478	2.2
116.92851	11.6
119.05011	9.7
123.35924	1.5
127.04007	100.0
131.07155	8.6
137.02434	7.0
155.03510	66.5
163.04030	26.7
173.08214	2.8
181.12321	8.4
184.15094	1.8
191.05618	10.4
199.02501	68.3
199.13449	2.9
207.10287	5.8
217.08749	17.1
225.11365	24.5
227.37950	1.9
243.12422	16.1
261.07700	22.8
280.80978	1.7
320.74457	1.7
321.09811	2.7
367.10263	6.5
373.78607	1.5
381.12003	7.8
390.66830	1.6
417.79465	1.9
441.14035	6.9
521.84222	1.7
641.17206	21.5
641.26819	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34191	0.3
75.59158	0.4
79.95729	1.5
90.32700	0.3
92.51426	0.4
96.96002	100.0
127.05003	0.3
186.99541	0.4
314.98904	0.4
374.56375	0.5
404.14685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
83.38871	51.7
87.34510	52.9
94.07289	54.8
100.32674	56.0
111.06195	44.8
146.81198	60.2
188.57277	60.3
191.94695	50.9
378.85385	54.6
479.12903	63.6
641.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22664	1.1
57.03437	2.0
59.01385	11.4
59.58368	1.2
59.97994	1.0
64.99580	1.0
71.01385	16.4
72.99297	1.8
75.00865	24.6
85.02943	5.4
87.00858	4.7
87.04466	1.4
89.02416	4.9
91.63373	1.0
99.00869	20.7
101.02409	3.0
111.19908	1.2
113.02419	2.3
121.02956	2.6
129.01929	11.8
132.26749	1.4
149.02400	5.4
159.02963	1.7
164.04793	23.6
166.85411	1.2
167.03568	1.5
177.04094	16.1
178.06274	1.5
179.07162	16.5
195.06622	1.3
222.05324	1.4
223.06160	1.5
231.18727	1.2
240.93199	1.3
265.07288	1.3
268.17712	1.2
372.71777	1.3
379.15363	1.2
463.16278	8.7
518.19763	1.5
641.20935	100.0
641.29932	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01386	7.7
60.71343	0.9
71.01380	21.4
72.99289	1.9
75.00867	26.0
85.02963	6.8
87.00856	5.0
89.02445	1.3
96.96000	2.0
97.02966	1.7
99.00879	17.9
101.02444	1.7
129.01248	0.8
129.01947	13.9
131.03462	1.9
141.01971	1.3
149.02400	5.2
164.04805	30.4
172.31520	1.0
177.04047	17.8
179.07133	23.6
183.06792	1.3
195.06754	1.3
209.04642	0.9
222.05418	1.9
223.06026	4.1
223.28731	1.0
296.11053	1.0
463.16058	6.3
507.40796	1.3
589.40967	1.1
641.20898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35136	0.9
59.01383	1.4
71.01381	2.5
81.40920	1.0
86.04125	0.9
89.02438	2.3
99.00868	7.9
101.02441	1.5
111.00873	2.1
111.56987	0.9
113.02409	1.8
121.02975	1.6
147.04527	5.9
149.02434	30.9
161.88507	1.0
164.04788	100.0
174.42761	1.0
179.07082	8.2
190.02678	8.0
201.59694	1.2
205.05075	15.1
208.03784	4.8
223.06116	91.5
223.13348	1.2
244.65608	1.0
370.92175	1.2
417.17764	1.3
503.95432	1.1
556.37762	1.4
600.59534	1.1
606.96844	1.5
641.24652	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2514
Annotation	Cannabisin E
Peak:m/z	Relative Intensity
54.69956	2.1
56.53807	1.8
63.90849	1.8
70.87005	1.9
92.22526	4.7
101.80522	2.3
108.02155	2.2
123.04477	3.2
128.29364	2.4
134.03769	2.4
135.04469	2.4
136.01662	67.5
148.05307	11.4
149.02437	5.1
149.06061	3.5
150.03183	20.6
151.04012	100.0
152.99562	2.5
153.05550	2.7
159.59149	2.2
159.68839	2.3
162.05588	3.0
163.03967	5.1
165.05565	19.1
177.06709	3.1
178.05110	11.4
190.05121	2.7
192.06532	2.5
296.13385	2.4
297.10049	9.7
311.14157	20.0
312.12473	37.8
323.60132	2.8
324.12296	2.6
328.11969	25.5
337.12122	4.3
431.19788	10.6
432.18347	3.4
460.17798	3.3
489.20166	23.9
492.08743	2.5
497.46048	2.5
517.45996	2.3
623.23865	29.3
641.25037	65.2
641.34320	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54020	1.0
51.84924	0.9
59.01375	1.3
71.77763	1.1
73.69092	1.1
75.82947	1.3
77.53677	1.1
83.88754	1.2
89.39706	1.2
91.53125	1.2
98.87267	1.1
99.54801	1.2
108.02186	1.6
109.16642	1.3
115.25346	1.2
121.02950	1.4
123.04508	2.6
133.02969	2.7
134.03734	4.9
136.01660	69.8
143.90881	1.2
148.05289	9.6
149.02463	5.3
149.06094	2.6
150.03224	10.8
151.04001	100.0
163.04031	1.5
164.04805	1.6
165.05551	7.8
167.02159	1.4
175.04041	1.6
176.07310	1.3
178.05182	10.9
190.05118	2.0
215.44971	1.3
222.79622	1.2
254.11958	2.2
285.89200	1.3
291.07285	1.8
297.10077	6.0
311.14429	12.1
312.12405	28.8
324.12378	2.5
328.11853	5.8
337.11917	8.4
363.77518	1.3
413.12772	2.5
416.15057	2.0
417.15845	1.9
431.19858	6.3
436.71884	1.6
460.17648	13.3
489.20377	28.0
623.23932	11.7
641.25146	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
69.32629	3.1
82.39970	3.2
127.84724	3.0
128.69699	3.6
135.78438	3.3
209.15421	5.8
237.14998	15.1
265.17023	4.5
292.71890	4.1
293.09384	3.1
298.78088	3.5
309.20694	7.1
313.18018	4.5
315.91891	3.8
447.21707	25.9
448.23206	4.8
459.22232	30.2
460.22940	13.7
461.23987	7.2
461.29440	5.3
463.25235	5.1
465.23102	21.7
473.23682	5.3
474.24673	4.3
475.25070	17.2
476.22379	45.4
477.23364	5.9
487.21613	28.1
488.22260	61.2
489.19156	13.3
490.20233	18.8
491.21201	20.2
503.24631	19.4
506.23270	6.8
509.25989	4.2
518.19830	17.0
521.25769	98.0
532.20679	3.8
536.21082	5.7
547.23907	3.6
553.28619	14.5
565.24493	100.0
579.25641	6.1
582.24915	6.1
593.24152	13.2
597.27332	42.5
609.23804	30.9
611.24945	15.0
641.26398	56.1
641.36383	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13126	0.5
51.43529	0.5
55.12083	0.7
57.93320	0.5
58.68235	0.6
59.01376	6.4
71.01371	1.6
73.02961	0.8
85.02940	0.7
87.00880	0.8
89.02422	1.0
91.01311	0.6
101.02414	1.4
109.60918	0.7
113.02475	1.7
117.03441	4.4
124.93700	0.6
128.67894	0.7
133.82573	0.6
134.03738	100.0
149.06090	13.8
160.01666	10.7
161.04588	1.2
171.10313	0.9
175.03999	17.6
178.02739	1.3
180.80365	0.7
183.82439	0.7
193.05066	97.3
291.18079	1.5
385.25037	0.8
534.09338	0.8
641.27960	26.3
666.27789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3188
Annotation	Arthrichitin
Peak:m/z	Relative Intensity
52.98071	0.7
59.01381	11.5
61.98817	1.3
66.46373	0.8
71.01379	12.0
73.02938	6.5
83.01373	3.4
83.70866	0.7
85.02943	1.9
87.00893	1.0
89.02446	15.3
89.98299	0.9
95.01381	1.1
97.02938	5.2
101.02441	24.8
113.02431	7.8
115.04040	1.3
119.03493	5.6
131.03488	2.2
141.70386	1.0
143.03448	1.9
161.04594	10.1
169.10641	0.9
179.05626	1.9
219.81520	0.8
221.06674	8.3
299.20190	41.0
317.21423	1.2
436.87640	0.9
479.26343	4.2
592.82349	1.0
641.31927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3187
Annotation	Arthrichitin
Peak:m/z	Relative Intensity
50.62389	0.8
59.01385	17.1
59.29659	0.8
63.50385	0.9
65.38874	0.9
71.01377	16.3
73.02934	4.2
78.64302	1.0
79.26865	0.9
85.02927	2.0
87.00861	5.2
89.02446	22.8
97.02965	1.8
98.18694	1.1
99.70555	1.1
101.02438	14.6
113.02444	9.6
115.95411	1.1
119.03487	9.7
131.03481	2.3
143.03461	2.2
161.04547	7.5
178.66026	1.3
179.05611	6.5
221.06679	10.6
221.96977	1.1
239.05441	1.3
299.20209	44.5
301.21765	26.7
312.06830	1.1
321.08231	1.1
474.03015	1.0
479.26566	2.2
641.31946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3189
Annotation	Arthrichitin
Peak:m/z	Relative Intensity
50.98446	0.7
54.04667	0.7
59.01384	11.8
71.01374	14.5
73.02939	4.1
75.85793	0.8
76.34480	0.9
80.44848	1.1
85.02907	1.2
87.00889	1.2
89.02446	16.4
93.03468	1.4
101.02448	14.7
107.61885	0.9
111.00827	0.9
111.04314	0.9
113.02454	7.5
119.03480	8.2
129.28470	0.9
131.03508	7.9
137.02472	4.4
139.01302	0.9
143.03444	1.1
161.04567	13.3
179.05641	4.0
221.06674	11.5
299.20245	26.6
317.21259	1.4
358.47501	1.3
641.31946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52439	5.1
68.19820	6.0
72.50394	5.6
80.05072	8.8
122.06119	14.9
124.07687	91.5
150.05620	78.8
155.07280	6.2
168.06689	10.1
192.72000	6.3
213.10387	8.6
231.11378	55.9
257.09256	9.5
316.07919	7.2
319.09344	45.2
381.59705	7.6
417.37198	6.7
551.04315	7.4
585.03137	8.1
641.38245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67440	1.5
59.01372	6.8
61.98841	14.5
71.01389	2.2
82.93835	1.8
89.87272	1.5
95.05008	1.6
97.02974	1.9
105.37038	1.7
124.52328	1.7
139.04022	6.5
165.86501	1.7
179.03838	7.2
199.04579	2.0
262.62277	1.9
281.24881	100.0
359.13531	2.5
393.30173	3.7
641.39246	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23188	3.4
59.01384	4.6
59.71424	3.0
69.59768	3.4
71.01411	3.3
72.85277	3.2
87.00878	6.2
89.02409	4.9
101.02414	4.2
107.08653	12.4
121.11388	3.1
139.13651	3.5
146.62820	3.8
156.90709	3.2
171.10278	15.9
180.44044	3.7
183.10266	45.5
199.10670	3.4
205.08466	68.9
221.15430	18.1
239.16455	21.5
243.13675	20.3
251.16533	6.3
260.14722	4.1
261.14923	5.0
275.12637	4.9
280.80344	3.6
291.19644	16.4
299.20026	4.8
309.20789	51.1
313.18066	5.7
331.18356	15.1
463.08621	3.8
494.95691	3.8
523.84735	3.6
633.70905	4.1
641.31335	18.2
641.40649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49652	3.4
53.21176	3.2
57.25311	3.2
57.43100	2.9
76.79446	3.7
78.95832	3.6
147.08116	5.2
151.85280	3.6
153.30232	3.5
171.10260	5.6
207.10017	5.7
211.13379	6.2
227.18057	4.6
245.19185	6.2
257.15164	5.0
273.14731	6.3
275.19916	4.5
285.14673	19.7
291.19830	15.1
295.16864	4.8
297.18387	74.4
313.17889	100.0
329.17267	18.5
329.23297	6.0
331.18900	17.7
469.18143	4.2
641.39478	8.4
641.48291	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23283	1.5
54.23296	1.9
57.28888	1.7
58.09420	1.9
59.01383	4.2
61.98828	2.0
67.82250	1.9
69.55190	1.9
71.05033	3.7
83.05006	3.4
89.04807	1.9
97.06565	2.5
111.08143	3.7
147.08148	2.9
165.12843	2.6
195.14001	3.1
197.11894	25.4
199.13297	2.3
207.13896	4.4
209.15480	43.1
211.13466	3.2
223.17102	7.9
225.14973	18.7
233.11583	34.5
233.15471	4.0
236.49739	2.2
243.13600	2.7
251.16560	9.8
273.14676	5.4
291.19647	10.8
295.64630	2.1
309.20755	100.0
313.17920	20.5
331.18817	11.4
371.25827	2.6
406.58829	2.5
439.94211	2.1
521.26068	4.3
641.30463	3.5
641.40448	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20050	2.0
61.98833	100.0
69.52057	2.2
75.58991	2.4
76.45556	2.2
127.36617	2.3
127.51728	2.3
134.32487	2.5
150.85768	2.6
150.94283	3.1
327.02432	2.6
439.93274	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98827	2.6
66.31122	0.2
67.01864	0.6
71.01379	0.4
72.63202	0.3
77.24781	0.3
85.02921	0.3
89.02436	0.4
92.23180	0.3
101.02423	0.3
111.00868	21.1
111.50262	0.2
116.56561	0.3
137.02455	0.5
159.03044	0.3
160.04022	3.1
181.07155	3.8
208.21951	0.3
257.20108	0.3
266.04578	1.4
278.04553	0.6
280.06100	2.6
292.06293	0.5
294.04163	6.1
308.05679	21.3
309.06451	15.7
324.08789	100.0
368.07770	17.4
486.14203	1.4
530.13080	45.7
642.15411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75197	1.1
52.99305	1.1
54.13617	0.9
56.37563	1.3
56.86388	1.0
59.01383	100.0
67.36181	1.2
71.01386	6.4
72.59815	1.0
73.02922	2.7
82.81195	1.2
85.02941	2.7
95.01404	1.2
101.02439	7.6
108.95876	1.3
110.28317	1.2
161.04552	6.7
184.86317	1.4
203.30670	1.2
221.82176	1.4
227.69093	1.6
582.19769	20.3
642.22021	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.85175	0.6
59.01382	100.0
62.11116	0.8
71.01380	6.4
73.02927	3.0
73.54836	0.6
75.36000	0.8
82.65405	0.6
84.18698	0.6
85.02940	4.4
101.02446	5.6
113.02448	1.8
120.01248	3.4
161.04614	5.2
391.78091	0.9
440.04617	0.8
582.19995	22.3
642.22430	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02299	0.6
56.11870	0.6
57.37939	0.6
59.01384	0.9
61.98832	100.0
65.40213	0.7
89.92649	0.8
100.65741	0.7
107.75449	0.8
134.44919	0.9
165.64236	0.7
225.81580	0.8
280.55804	0.8
353.73395	1.0
582.34430	1.9
642.33533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71341	0.6
61.98833	100.0
80.39362	0.5
99.51586	0.6
112.12898	0.6
142.89217	0.6
172.18237	0.5
248.05930	0.6
301.33252	0.5
582.35229	1.0
642.33679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51728	0.8
61.98827	1.7
67.12760	1.0
78.95901	5.4
84.46231	1.3
100.61901	1.0
107.08334	1.0
122.71703	1.1
135.44464	1.0
140.01187	1.2
147.66510	1.0
152.99579	9.4
196.03795	12.3
283.26437	100.0
306.04254	2.0
384.26801	1.1
480.30948	7.6
577.67072	1.2
642.36316	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90297	5.3
61.98837	9.0
71.05038	6.1
91.07953	6.9
92.80183	7.1
94.94687	6.6
97.06593	14.1
102.05147	6.7
121.06601	10.9
125.09708	9.0
145.03000	9.8
160.04033	34.0
171.10260	8.2
185.11824	16.9
235.13432	15.4
261.19580	7.6
307.19165	100.0
404.91873	8.4
595.56152	7.6
642.29956	10.2
666.11450	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81509	2.2
77.49422	2.8
81.83403	2.9
96.06531	2.4
97.02952	3.9
145.82423	2.8
196.03479	2.7
255.23314	100.0
343.13864	4.0
499.13354	3.3
595.28998	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04008	0.7
55.96601	0.6
57.03448	1.2
57.18874	0.8
61.75920	0.7
75.41982	0.8
82.99600	1.0
85.02945	18.1
87.00867	24.5
107.57435	0.9
111.00872	98.8
129.01941	8.5
135.04477	7.0
145.69264	0.8
173.00946	4.7
179.03493	7.5
191.01988	100.0
191.05574	9.0
233.08229	4.8
245.63068	0.8
272.07855	0.8
283.45932	0.8
353.08908	1.2
451.12549	19.4
643.21704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30025	0.3
58.74837	0.3
66.25798	0.3
79.95746	0.8
92.22523	0.6
96.96003	100.0
115.66650	0.4
116.48078	0.4
124.54736	0.4
126.57130	0.4
138.81409	0.4
151.53766	0.5
210.33899	0.4
220.32864	0.4
609.81586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98274	1.8
59.01375	3.4
66.89552	1.7
67.29010	1.4
69.03440	1.9
71.01382	8.0
73.02943	11.0
79.04035	1.4
83.01366	2.8
84.77924	1.5
85.02943	42.1
87.00871	81.0
95.01358	4.1
97.02948	28.3
103.03995	8.8
111.00851	2.4
113.02433	33.0
115.00349	12.9
115.03983	3.9
130.19121	1.7
135.46210	1.8
157.01402	8.1
170.91710	1.8
173.04565	3.8
175.02478	24.0
191.05597	3.9
217.03517	22.0
303.07275	9.0
321.08224	7.9
405.76410	1.7
479.10645	3.0
539.12506	3.3
625.15967	11.9
634.58124	1.8
643.17352	100.0
646.27008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01368	6.6
64.01767	1.3
69.03443	1.6
71.01376	11.8
73.02934	11.1
83.01390	2.2
85.02949	37.5
87.00871	69.1
90.03381	1.5
95.01373	6.7
97.02956	21.1
103.04004	6.8
113.02441	40.7
115.00343	7.7
115.03934	1.6
129.01871	2.0
133.47668	1.5
157.01436	3.3
173.04590	3.5
173.05925	1.7
175.02455	24.0
191.05608	3.5
217.03505	18.4
303.07230	8.1
307.14008	3.2
321.08377	3.9
345.69083	2.2
479.10770	2.5
539.12689	3.1
580.31189	2.2
625.16260	11.4
643.17334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57716	0.8
56.61558	0.7
57.63781	0.7
59.01374	1.1
61.49273	0.9
71.01366	2.3
73.02934	1.4
76.14013	0.9
85.02964	1.5
89.02448	1.3
91.72072	0.8
101.02431	4.2
113.02433	3.9
121.02884	1.0
140.13376	0.9
147.04517	5.0
149.01355	1.7
149.02435	22.2
161.04570	4.8
164.04788	83.1
173.04692	0.8
179.07109	12.3
190.02718	9.3
190.22652	0.9
191.14262	1.0
193.05127	1.6
205.05084	14.0
208.03836	3.9
223.06129	100.0
272.09229	0.9
283.15686	0.9
331.64703	1.0
555.21515	0.9
607.20441	71.2
643.27448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61720	1.0
56.32693	0.9
56.62440	0.9
58.99651	1.1
59.01369	2.2
83.76234	1.0
87.02570	1.2
118.46255	1.1
136.32758	1.2
206.55779	1.2
293.21259	2.6
444.87283	1.3
479.17178	1.9
481.19122	2.0
492.89639	1.2
495.16531	2.3
496.13989	7.9
507.16934	5.5
508.17389	7.1
508.81735	1.3
510.15396	11.5
511.16217	18.1
512.16675	2.4
513.17719	1.6
523.20416	2.5
538.15521	5.0
544.18945	5.6
553.17242	2.2
588.20392	1.4
643.20612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.206
Annotation	Unknow
Peak:m/z	Relative Intensity
75.56765	1.1
78.95930	1.8
116.92857	1.3
134.03763	1.3
152.99638	5.9
160.98061	1.2
167.48988	1.1
178.26872	1.2
182.86414	1.6
257.00793	1.4
298.52713	1.3
354.65295	1.1
495.17371	1.8
496.14362	6.3
507.16486	1.5
508.17593	2.5
510.15387	15.3
511.16357	21.8
524.17572	1.5
538.15222	9.3
544.19470	6.7
570.16998	1.6
643.20709	100.0
643.31189	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54102	0.6
59.01388	5.0
64.06845	0.7
71.01399	4.5
72.99296	3.1
73.02929	0.8
75.00860	5.3
75.78400	0.7
76.53425	0.6
82.80038	0.6
85.02941	18.0
89.02444	5.0
89.73237	0.6
97.94431	0.6
99.64742	0.6
101.02413	3.1
101.03049	0.8
113.02415	2.8
113.37693	0.6
117.01928	1.3
119.05014	50.7
121.02966	1.3
135.02998	59.1
145.02919	1.1
163.04013	85.3
173.09761	1.2
183.79597	0.6
191.05627	12.9
217.08696	23.5
229.04939	0.7
261.07709	5.4
281.06763	0.8
486.63940	0.7
586.87665	0.7
643.22485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30615	0.6
59.01375	3.3
59.26290	0.7
71.01372	3.8
71.35863	0.7
74.31603	0.9
75.00874	5.0
82.50660	0.9
83.30196	0.7
85.02942	16.4
87.77875	0.7
89.02438	4.4
101.02412	1.7
113.02410	1.7
115.05100	0.9
117.01911	0.9
119.05019	58.2
133.06526	0.9
135.03004	54.6
149.40741	0.8
163.04016	94.7
173.09648	1.5
191.05682	1.4
217.08727	23.2
224.17174	0.8
242.45036	0.8
261.07605	5.9
291.82907	0.9
413.07889	0.8
462.86673	0.9
643.22540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.7
71.01388	3.0
73.02957	1.2
73.13202	0.6
75.00873	5.1
85.02949	17.9
89.02428	2.6
101.02452	3.3
113.02463	1.3
117.01939	0.9
119.05025	49.1
123.40163	0.6
127.44339	0.7
133.06587	0.8
135.03004	57.8
145.02969	1.5
163.04019	78.8
173.09726	0.8
191.05663	1.1
217.08728	23.9
261.07669	4.9
281.06818	1.2
285.09097	0.7
381.17865	0.7
447.16205	0.7
553.15973	1.0
643.22601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25568	0.7
59.01372	4.0
67.24102	0.7
70.31274	0.7
71.01382	3.9
73.63529	0.8
75.00869	1.6
87.00858	0.9
89.02418	3.6
93.93418	0.8
96.96001	1.5
99.00852	4.2
113.02443	1.5
117.03436	1.6
122.22786	0.9
134.02716	1.6
134.03738	42.0
137.02434	1.5
149.06071	15.1
160.01628	1.8
163.82990	0.8
164.04800	1.0
175.03990	10.6
178.02708	1.4
181.11671	0.8
191.05597	1.2
193.05061	100.0
223.06104	0.9
389.14236	0.9
555.20819	21.1
628.66675	0.9
643.22302	57.1
665.45056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77087	0.4
50.90109	0.4
55.44131	0.4
59.01393	4.1
66.00961	0.4
71.01384	4.0
73.02934	1.2
75.00861	5.1
85.02944	18.5
86.23222	0.5
89.02428	2.3
101.02425	2.8
103.57597	0.6
113.02439	2.1
117.01908	0.7
119.05017	52.2
131.05080	0.5
135.02998	59.5
145.02937	0.6
162.25731	0.5
163.04012	88.9
171.30263	0.5
173.09729	2.2
185.19034	0.5
217.08701	27.6
238.60898	0.5
244.14647	0.6
261.07690	6.4
281.06741	3.8
412.79352	0.6
643.22528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.3
62.21251	1.6
64.66568	1.6
71.01377	21.6
72.95200	1.9
73.02930	4.1
85.02937	12.4
89.02454	8.0
95.99538	2.2
99.00916	2.6
101.02429	16.4
113.02437	11.0
119.03519	1.9
129.66319	1.9
137.02422	12.0
151.03999	7.5
152.04782	4.0
152.99638	2.5
161.04579	3.6
164.04802	2.3
165.01906	63.4
165.05592	8.5
166.02690	17.3
167.03583	2.5
179.03514	26.7
180.04280	100.0
181.05060	32.4
193.05048	2.2
194.05884	8.9
195.03053	4.3
195.06645	93.6
205.05098	12.8
210.05312	20.5
220.07420	4.2
223.06145	2.0
225.07684	46.8
243.52022	1.7
371.11221	2.6
387.10803	9.9
390.67590	2.0
417.15607	41.3
481.28323	3.6
564.85883	2.4
565.16736	4.1
595.21918	55.7
643.24109	26.0
643.33551	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2407
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
52.14412	1.3
56.83549	1.5
59.01370	1.8
65.04145	1.5
67.06990	1.5
68.99817	4.1
101.02446	1.7
123.00813	1.9
137.44701	1.6
138.03160	8.8
139.03989	2.6
152.99582	3.1
153.01941	3.5
153.05580	21.9
161.56917	1.9
165.01860	3.1
168.04303	4.1
175.00371	2.3
176.01181	16.1
178.02690	8.7
180.04234	6.8
190.06407	3.4
191.02200	2.0
191.03561	27.0
192.04256	10.4
193.01447	19.7
193.05017	14.8
195.06677	4.2
205.08621	4.2
207.06635	63.6
208.03809	38.4
208.07373	9.9
209.04617	1.8
223.06140	49.9
235.06000	2.2
241.01190	2.3
299.81186	1.7
389.16089	3.8
419.19305	2.4
444.77017	2.2
583.31091	2.4
613.23248	26.6
643.23999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
59.52108	0.5
71.01370	1.2
71.18179	0.5
72.99300	1.3
78.95887	0.9
80.96519	2.0
86.74083	0.5
89.02454	1.0
99.00858	2.0
101.02461	1.0
112.47775	0.7
113.02464	0.7
122.91502	0.6
169.61880	0.5
179.00182	0.6
179.03525	0.9
180.04298	0.6
189.12952	1.3
197.04587	2.3
217.08524	0.7
229.05077	1.1
233.11685	0.9
241.01219	0.9
263.05911	0.6
271.06097	0.6
285.04453	0.9
285.07700	4.2
300.06375	11.1
300.10025	5.6
301.07220	9.2
301.10577	1.1
315.08771	100.0
316.09467	5.0
330.11093	34.6
331.11951	4.4
361.12943	61.7
439.36346	0.6
497.70572	0.6
527.21143	2.2
609.04364	0.6
643.16791	1.1
643.28003	5.1
652.50635	0.7
658.81708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71436	1.5
59.01389	3.2
66.90044	1.6
69.68033	1.5
74.03412	1.5
74.99101	7.4
128.50793	1.6
133.53514	1.9
137.02429	3.1
165.01926	53.3
166.02724	7.5
179.03490	12.9
180.04291	81.8
181.05077	11.4
194.05873	3.0
195.06651	100.0
210.05408	18.1
225.07704	78.8
265.59787	1.7
297.07758	10.2
381.73923	2.4
387.14615	3.6
417.15707	15.2
422.77771	1.8
426.62006	2.1
595.21631	8.3
643.23883	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54356	1.2
51.87271	0.9
52.94015	1.6
55.16370	1.2
57.03427	1.2
68.03608	1.2
69.68510	1.2
78.95905	14.0
85.02943	8.6
96.96940	5.0
97.06524	2.0
105.16354	1.3
113.53081	1.3
118.24976	1.3
132.06676	1.2
137.09723	1.8
152.99596	24.7
164.00783	1.3
164.04767	6.6
171.10246	15.6
183.13913	19.1
187.68816	1.5
193.05070	5.0
211.13426	15.2
223.06023	5.7
229.14293	2.3
241.01175	16.7
251.16472	2.6
259.02176	2.1
291.19644	3.0
315.05002	1.7
326.00565	1.3
327.21863	28.9
344.18225	1.4
423.09732	1.4
643.27307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57150	0.4
54.53025	0.5
54.77937	0.5
57.06947	0.5
57.30353	0.5
59.01384	1.4
72.99310	5.0
89.02453	0.8
94.97727	0.6
97.06586	2.9
123.04512	1.1
123.08099	0.8
125.09715	49.8
134.03758	10.4
135.04539	1.3
135.55217	0.7
149.06061	3.6
160.01622	0.6
160.74860	0.6
169.08728	2.5
175.04031	2.7
179.03484	5.4
187.09767	100.0
193.05084	15.6
197.04520	8.2
205.04977	0.7
215.28137	0.7
262.81119	0.6
398.83353	0.6
518.43384	0.6
607.20404	10.1
643.30438	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85276	1.5
55.00132	1.2
56.76525	1.5
57.73893	1.5
59.01382	22.5
66.19307	1.6
71.01377	12.6
72.70671	1.7
73.44865	1.6
75.00864	24.1
78.93046	1.6
80.46448	1.4
85.02938	8.9
89.02455	12.9
99.00864	7.1
101.02464	12.7
113.02464	13.1
119.03505	4.1
198.07903	1.7
259.72858	1.8
264.50537	1.9
285.38129	2.1
337.10846	4.0
352.13065	14.3
367.15433	2.7
381.36871	2.0
483.16895	3.1
527.15796	18.4
643.33484	100.0
643.44342	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44896	0.7
52.45145	0.6
53.56976	0.8
55.44043	0.6
57.03465	1.2
58.91259	0.7
59.01386	26.1
71.01385	12.9
73.02942	3.7
81.03465	0.9
83.01389	1.8
83.05007	1.7
85.02937	4.7
86.72114	0.9
87.04511	1.1
89.02441	13.8
93.03446	7.9
95.01366	1.0
95.04990	1.5
95.92403	0.8
97.02917	1.0
98.03722	8.2
99.00908	1.2
99.04512	1.4
101.02443	13.9
113.02465	12.5
113.06035	0.9
116.92822	1.3
119.03495	4.6
119.04994	0.7
122.09413	0.7
127.07642	12.9
135.08165	1.1
161.04463	1.0
163.11229	5.5
164.08408	1.2
181.12332	6.4
207.10367	0.8
209.11804	1.1
213.94537	0.8
225.11299	6.1
341.57291	0.8
374.65222	0.9
382.14984	0.9
463.19662	9.0
463.30472	1.3
481.31628	1.7
588.78687	0.9
643.26294	29.5
643.37073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09411	2.9
57.29456	2.3
61.98830	100.0
67.18832	2.5
95.97699	2.4
123.04146	2.7
154.20271	2.5
162.67139	2.6
235.15427	2.7
290.01453	3.2
444.22214	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.53666	2.0
79.25549	2.2
83.02232	2.7
92.18512	2.4
92.22955	2.4
122.28839	2.7
177.15331	2.5
425.12823	2.7
656.97461	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
83.76235	0.5
85.02966	2.7
101.02439	1.9
103.03993	2.8
110.43335	0.5
113.18478	0.5
129.01936	45.5
134.03783	1.0
135.04608	0.7
147.02997	100.0
148.05280	1.1
160.02765	0.5
161.02490	2.4
179.03464	5.4
309.06177	21.4
613.44006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18771	0.3
55.53815	0.3
59.01402	0.3
71.01373	1.5
84.18579	0.3
85.02968	0.4
93.03452	20.2
101.02423	0.8
113.02444	0.5
137.02444	100.0
176.36749	0.3
272.39453	0.3
280.68378	0.3
299.07761	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55709	0.4
55.14455	0.5
55.31374	0.5
60.31237	0.5
72.16090	0.5
72.65601	0.6
94.52766	0.6
99.54726	0.6
103.88834	0.7
108.60725	0.6
108.94289	0.6
115.03955	0.9
140.07979	0.7
160.04041	100.0
161.04289	0.8
204.03032	6.6
318.17905	0.6
366.08313	46.2
407.70200	0.7
495.49316	0.7
497.91293	0.7
663.20508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86026	0.5
61.98833	100.0
68.81141	0.5
82.56962	0.5
86.94963	0.5
90.71009	0.5
93.39202	0.5
102.95039	0.5
110.91655	0.5
156.83627	0.5
164.85764	0.5
170.09355	0.6
172.81487	0.7
188.51151	0.5
542.50592	0.7
655.67365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41559	0.4
54.73289	0.4
59.01380	0.5
61.98832	100.0
74.99130	0.5
75.04681	0.4
89.24968	0.5
96.66593	0.5
158.48035	0.4
165.04593	0.4
241.09958	0.7
248.52255	0.5
476.55325	0.5
566.81793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65478	5.2
55.01073	5.1
57.24943	4.5
57.89984	4.9
60.70450	5.7
61.98825	9.9
62.07536	5.5
63.69480	5.3
77.05865	6.1
91.02290	6.3
97.58457	5.9
105.57175	5.7
113.91267	6.1
118.23326	6.4
126.74027	6.1
126.94452	5.5
160.52820	6.3
171.10210	29.1
186.57224	6.3
291.19812	12.5
309.20746	100.0
654.03864	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
62.43787	0.7
65.82806	0.8
69.03455	12.1
71.01373	7.3
79.17666	0.8
83.09538	0.7
87.00872	1.6
93.03497	1.0
97.02940	24.5
97.86824	0.9
107.88295	1.0
111.00871	1.8
113.02459	1.5
113.92210	0.8
115.00371	2.0
119.05037	6.1
123.00841	1.1
125.01084	1.0
135.04611	1.1
141.01939	7.2
163.03998	18.5
176.04791	1.4
179.03471	1.0
191.05586	5.3
191.07190	6.9
203.02000	100.0
209.79338	0.9
235.06158	4.7
306.36197	0.9
310.43909	0.9
324.45422	0.8
325.09302	15.0
367.10522	1.1
449.95929	1.0
471.37085	0.8
645.20203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75247	0.9
54.86308	1.0
62.04344	1.0
99.60011	1.0
115.00375	1.9
133.01428	2.7
178.02675	1.3
178.99846	1.3
191.00056	1.3
193.01331	1.2
205.98569	37.5
206.99358	84.4
208.00166	8.1
221.00934	65.8
221.04413	2.2
222.01707	100.0
223.02478	4.6
321.24753	1.2
369.04681	24.9
370.05472	4.7
385.07809	29.9
412.00983	1.2
436.80020	1.2
441.27640	1.2
467.08301	2.1
468.08914	1.6
483.11542	9.7
547.13110	5.4
645.16803	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65590	0.5
67.01886	3.1
71.01389	0.7
85.02947	1.4
87.00871	4.5
92.88331	0.7
93.03452	23.3
111.04502	4.5
111.28302	0.7
113.02436	0.8
119.04987	1.1
134.03729	1.1
135.37743	0.8
144.60342	0.7
145.02953	4.8
149.03004	0.9
161.06058	3.9
163.03990	6.8
173.04539	14.5
191.05623	100.0
193.05013	6.3
205.05025	6.4
229.01367	0.9
235.06183	4.1
254.17207	0.8
265.07187	12.9
325.09167	1.0
367.10367	61.5
635.99408	0.8
645.19708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02872	0.9
57.03436	1.3
57.36076	0.9
59.01391	8.2
60.99281	1.1
67.01871	1.1
71.01377	2.1
85.02939	4.0
89.02438	1.7
93.03455	18.7
111.00845	1.0
111.04531	7.1
113.02417	1.0
127.03993	1.9
134.03723	5.9
137.02441	5.1
149.06079	4.9
152.00769	0.9
155.03546	5.9
173.04549	79.7
174.92183	1.0
178.02748	1.4
186.30240	1.2
188.08531	1.3
191.05630	100.0
193.05081	29.8
232.07478	1.6
238.24519	1.0
247.09749	12.9
283.96204	1.0
291.08740	17.9
312.38672	1.0
349.86426	1.1
351.10889	6.5
367.10464	1.6
465.14120	1.7
585.18372	20.4
645.20496	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45246	1.0
56.70087	0.7
59.01377	7.8
67.01900	1.6
70.56048	0.7
71.01375	5.4
74.07295	0.9
85.02948	4.6
87.00888	1.5
89.02420	1.9
93.03453	17.9
101.02433	0.9
107.47341	0.9
111.04517	5.5
127.04012	1.5
134.03734	9.3
137.02449	4.6
149.06076	6.8
155.03537	6.8
169.37434	0.9
173.04549	100.0
178.02718	3.4
188.08382	1.0
191.05630	58.3
193.05067	34.3
202.64368	0.9
221.11841	1.0
232.07359	1.3
247.09776	15.5
267.03534	0.8
291.08810	17.0
309.09882	1.3
351.10983	6.7
367.10611	2.1
465.14423	2.0
555.17480	1.7
585.18384	29.5
645.20496	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.7
59.01379	9.5
69.19078	0.3
71.01379	10.9
72.99319	3.1
73.02953	2.9
80.31489	0.4
85.02958	1.5
85.40443	0.3
87.00887	0.5
89.02438	22.0
95.01337	0.5
96.36909	0.4
99.00871	17.9
99.01524	0.6
101.02434	9.2
113.02448	8.8
119.03492	3.7
123.04494	1.7
125.02425	0.5
131.03496	8.2
135.04520	24.8
149.03458	0.5
149.04564	8.5
153.05608	2.6
161.04546	2.2
179.03563	2.9
179.05588	0.4
191.05627	13.1
197.04579	3.7
208.43694	0.3
297.09869	0.4
315.10880	12.7
447.15118	100.0
523.03113	0.4
645.20313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
66.48640	1.3
68.16855	1.1
69.97670	1.1
71.01384	1.6
74.99105	6.9
75.64314	1.5
75.74348	1.1
78.95525	1.2
85.02958	1.4
89.02429	1.4
89.89931	1.3
93.03442	15.4
108.43135	1.2
111.00887	1.3
111.04491	3.1
127.03996	1.3
134.03741	6.6
136.99130	7.1
137.02452	5.7
149.06116	5.9
155.03488	5.2
173.04543	100.0
178.02728	2.3
179.98317	1.2
191.05678	12.5
193.05054	24.6
216.61192	1.2
246.43970	1.3
247.09792	7.6
276.14297	1.5
291.08713	11.4
306.34607	1.4
312.00519	1.2
351.10956	3.0
367.10632	1.8
383.18414	1.3
385.55298	1.5
389.84833	1.3
465.14066	1.8
585.18317	25.8
645.20331	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59925	0.5
55.62730	0.4
59.01389	4.2
60.99286	0.6
67.01890	0.6
71.01372	2.8
75.16426	0.5
81.62419	0.5
85.02944	2.8
87.00859	0.9
88.52755	0.5
89.02419	2.0
91.65791	0.5
93.03452	12.8
95.61070	0.6
101.02395	0.7
111.04488	3.6
113.02457	0.7
127.03960	1.3
134.03728	5.9
136.14040	0.6
137.02448	2.3
149.06075	5.2
155.03497	2.5
158.96068	0.6
165.00604	0.6
167.03517	1.1
173.04552	35.1
178.02699	2.1
188.08513	0.8
191.05630	100.0
193.05075	23.2
206.09445	0.6
232.07326	0.7
247.09763	9.3
291.08786	13.1
309.09985	1.4
348.23654	0.6
351.10956	5.1
367.10397	1.4
465.13965	0.9
483.15103	0.9
555.17371	2.8
585.18311	12.7
645.20490	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
66.48640	1.3
68.16855	1.1
69.97670	1.1
71.01384	1.6
74.99105	6.9
75.64314	1.5
75.74348	1.1
78.95525	1.2
85.02958	1.4
89.02429	1.4
89.89931	1.3
93.03442	15.4
108.43135	1.2
111.00887	1.3
111.04491	3.1
127.03996	1.3
134.03741	6.6
136.99130	7.1
137.02452	5.7
149.06116	5.9
155.03488	5.2
173.04543	100.0
178.02728	2.3
179.98317	1.2
191.05678	12.5
193.05054	24.6
216.61192	1.2
246.43970	1.3
247.09792	7.6
276.14297	1.5
291.08713	11.4
306.34607	1.4
312.00519	1.2
351.10956	3.0
367.10632	1.8
383.18414	1.3
385.55298	1.5
389.84833	1.3
465.14066	1.8
585.18317	25.8
645.20331	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01644	0.6
59.01372	1.6
61.62482	0.6
64.58961	0.7
71.01388	1.3
81.68712	0.6
85.02957	1.9
87.00860	0.7
89.02419	1.3
93.03435	10.6
111.04553	1.5
127.03991	1.2
127.45432	0.7
134.03735	7.7
137.02402	1.0
149.06081	6.3
155.03513	3.1
157.15666	0.9
173.04539	18.3
178.02705	3.4
191.05621	100.0
193.05069	32.7
232.07458	2.9
232.92357	0.8
235.01663	0.9
243.04951	0.8
247.09702	11.9
291.08810	19.0
309.09900	1.2
351.10849	4.2
407.83578	0.8
465.13620	1.0
585.18488	11.0
645.20465	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37461	0.5
79.95741	0.7
80.37482	0.6
82.02773	0.6
89.18755	0.7
96.41986	0.6
96.96001	100.0
148.24039	0.6
189.39214	0.7
191.05630	3.5
198.18529	0.6
203.68259	0.6
220.10655	0.7
358.26678	0.7
367.10385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90566	0.7
58.34925	0.8
59.01381	7.4
63.42739	0.8
64.96935	0.7
66.52848	0.8
71.01382	11.1
73.02926	1.1
87.00862	3.3
89.02420	3.7
101.02470	3.1
105.19721	0.8
109.66971	0.9
113.02460	1.8
115.03988	1.0
118.90704	0.8
119.03487	1.1
134.03752	4.3
135.04524	6.2
141.68692	0.7
149.06081	9.2
150.03217	18.1
151.03998	3.5
152.04866	1.1
163.04039	0.9
164.04797	1.7
165.05559	29.1
166.06386	2.9
167.07245	0.9
177.05606	4.3
178.06360	4.2
179.07240	1.2
181.04959	1.0
188.04778	5.9
191.03671	0.9
192.30832	1.0
192.47704	0.8
193.05072	6.3
193.08698	1.8
195.06596	1.2
199.09804	0.9
203.07098	1.3
205.05072	4.2
206.05846	5.3
211.06155	25.1
215.12846	1.6
225.07697	1.2
237.07686	3.3
238.02585	0.8
253.07088	1.1
263.11212	1.2
265.07187	100.0
283.08258	20.4
285.07736	0.9
300.06454	1.5
301.07272	1.2
315.08780	14.2
330.11023	4.8
337.08142	0.8
361.12930	4.3
537.79303	1.0
585.28015	2.0
645.23724	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
64.52271	0.7
71.01366	0.9
71.22565	0.8
80.25610	0.8
81.82878	0.8
87.00848	0.9
92.23137	0.8
93.03452	0.8
101.02410	1.3
106.37649	0.8
107.93329	0.9
121.02955	10.2
122.03722	7.3
123.04471	1.2
133.02869	1.7
136.01686	6.3
149.02379	1.1
150.03220	100.0
151.03990	8.3
164.04706	0.9
165.01903	4.5
165.04233	1.5
165.05563	28.6
175.33987	0.8
176.04834	1.3
179.03481	7.1
179.07115	0.9
180.04315	15.8
191.07230	1.6
194.05878	7.1
195.06642	26.1
209.02696	1.4
209.04584	35.2
209.08116	12.7
210.05266	4.3
225.07559	4.4
324.16617	1.0
357.09869	1.8
372.12234	3.8
373.05206	1.0
373.13196	1.2
382.41730	0.9
387.14447	3.9
388.05057	0.9
457.08029	0.9
475.29718	0.9
583.22186	12.2
645.21808	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68166	0.7
55.29475	0.6
55.90134	0.7
58.54219	0.6
59.01384	4.3
62.97184	0.7
65.77065	0.7
71.01386	1.6
99.08141	3.5
101.02444	3.8
113.02442	4.4
137.02495	0.9
145.08699	24.4
149.02438	8.7
150.03258	3.5
152.01167	3.8
163.03973	3.6
164.04791	24.6
165.05580	4.6
167.03592	1.0
168.25526	0.8
169.05060	2.0
174.19411	0.8
179.07147	10.4
180.04228	1.1
193.01479	9.1
195.06625	1.5
206.65987	0.9
208.03783	70.2
223.06134	100.0
277.35135	0.9
343.02115	1.0
458.80624	0.9
585.27612	7.5
645.21649	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01725	0.8
54.04220	0.7
57.38777	0.9
62.96084	0.6
80.76477	0.8
92.23054	1.3
133.05362	3.1
133.28600	1.0
134.03764	1.6
135.04532	8.7
137.40417	1.0
144.15096	0.9
148.05310	31.4
149.06067	1.8
150.03322	1.0
162.06825	3.7
175.20981	0.9
176.03525	5.1
177.04340	4.4
178.03537	1.5
178.05099	34.0
190.05104	6.7
192.06734	1.2
215.45250	0.9
215.86099	0.9
253.08699	1.7
297.10104	18.8
312.12454	100.0
428.11279	1.4
482.15692	1.4
545.95135	1.0
599.18103	1.3
634.65411	0.9
645.22339	22.4
655.95099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06069	0.2
54.33327	0.2
56.31702	0.2
59.01381	0.4
62.41066	0.2
64.15957	0.2
69.79070	0.2
85.02951	2.6
87.00871	0.4
93.03453	1.2
106.34914	0.3
113.02428	0.2
122.39938	0.2
127.03980	0.5
130.08800	0.3
148.27603	0.2
173.04518	1.4
187.33839	0.2
191.05629	100.0
197.67957	0.2
228.01746	0.3
231.65768	0.2
259.94308	0.2
262.95374	0.3
297.11734	0.3
645.21222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42704	2.4
52.53704	2.8
73.18880	2.8
87.54540	3.2
88.51653	2.7
100.03960	2.8
133.63519	2.7
190.72972	2.7
215.95958	2.8
271.74390	3.1
297.24146	3.7
395.16467	2.9
398.25479	3.7
441.21008	6.8
447.25943	4.1
453.20398	13.8
454.21423	13.1
469.23846	42.9
474.24149	3.5
475.24890	24.0
481.19913	3.4
490.20139	19.2
491.20993	14.0
495.21561	11.4
497.23358	34.7
498.24182	6.4
513.22913	100.0
541.22260	6.6
545.21960	4.0
562.66333	3.6
569.21747	23.0
573.24719	3.6
585.12030	4.2
585.21271	89.3
586.22168	70.2
609.47247	4.8
645.24396	3.3
668.40607	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50388	0.5
59.01373	2.9
61.31629	0.5
62.70911	0.5
67.01899	1.2
71.01384	1.6
72.58237	0.6
82.36968	0.7
83.44769	0.6
85.02949	1.0
88.17008	0.7
93.03451	10.1
111.04498	3.5
113.02441	3.2
119.04994	7.9
137.02492	5.0
145.02959	0.9
155.03519	4.6
163.04025	21.3
173.04564	100.0
191.05611	4.5
229.01445	5.5
307.14044	2.6
311.09314	3.3
337.05289	1.5
337.09366	46.2
383.07693	0.9
392.09995	0.7
645.18359	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37587	0.3
59.01379	2.8
62.61039	0.3
71.01369	2.1
72.99304	52.1
81.03448	0.3
89.02447	3.1
99.04538	0.5
101.02436	2.3
109.02971	1.3
113.02440	1.8
115.00340	0.4
119.03488	0.8
119.91839	0.3
121.02982	0.4
123.04517	26.7
123.08140	2.4
128.19481	0.3
133.01419	1.8
135.04523	30.3
151.04002	8.0
152.04298	0.4
153.09241	0.4
179.03505	51.1
195.02950	0.3
197.04570	100.0
198.04984	0.5
212.43576	0.4
215.05647	0.7
249.11319	0.6
285.13416	1.3
362.12338	0.4
447.18808	21.3
545.10461	0.4
588.18652	0.3
634.45502	0.4
645.15851	0.4
645.24524	6.8
671.02911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50388	0.5
59.01373	2.9
61.31629	0.5
62.70911	0.5
67.01899	1.2
71.01384	1.6
72.58237	0.6
82.36968	0.7
83.44769	0.6
85.02949	1.0
88.17008	0.7
93.03451	10.1
111.04498	3.5
113.02441	3.2
119.04994	7.9
137.02492	5.0
145.02959	0.9
155.03519	4.6
163.04025	21.3
173.04564	100.0
191.05611	4.5
229.01445	5.5
307.14044	2.6
311.09314	3.3
337.05289	1.5
337.09366	46.2
383.07693	0.9
392.09995	0.7
645.18359	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
61.96936	1.7
66.33926	1.8
68.01631	2.0
70.28025	1.7
71.01376	4.4
73.02933	2.4
77.52461	1.7
83.01390	2.0
85.02919	4.0
88.53078	1.8
88.76637	2.0
89.02437	2.8
93.03436	3.4
101.02435	4.8
107.54387	1.8
113.02447	4.0
131.56448	1.9
137.02455	3.8
139.04060	2.2
139.11111	2.1
149.02443	4.5
152.04781	3.0
152.99591	9.4
163.04065	3.9
164.04774	25.8
165.01939	77.0
165.05554	2.4
171.10318	5.0
177.05630	4.7
179.03491	24.3
180.04306	92.4
184.73198	2.2
188.04831	2.5
189.05539	3.1
190.02684	3.6
190.06381	9.9
192.04248	3.1
193.04999	8.3
194.05818	12.7
195.03036	2.9
195.06650	100.0
205.04967	2.8
205.08669	12.3
207.06624	10.5
208.03850	2.6
208.07394	19.4
210.05313	22.6
222.09001	12.0
223.06143	22.6
225.07695	45.7
241.01230	2.8
257.13000	24.5
290.69214	1.9
299.18735	10.1
301.11984	18.4
375.14432	3.1
388.15744	2.7
389.16077	49.6
418.16574	4.7
419.17068	3.5
567.18915	13.2
585.25305	2.4
597.23535	59.3
601.32446	4.6
645.26263	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
71.01376	1.7
78.34474	0.7
79.68314	0.8
85.02931	1.1
88.98782	3.8
113.02447	0.7
115.78902	0.7
155.10803	0.8
194.05701	0.8
195.06641	1.1
229.05237	1.2
260.72043	0.9
285.07715	4.8
300.06421	9.7
300.10059	5.5
301.07278	7.9
315.08801	100.0
316.09473	4.3
330.11124	36.2
331.08353	1.0
331.11917	5.0
361.12958	64.4
469.30161	0.8
469.41779	1.0
483.12683	1.0
509.52487	0.9
514.28070	0.9
645.27441	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33816	1.7
59.01390	13.2
63.30484	1.5
66.91609	1.6
71.01381	8.3
73.02940	2.5
78.95908	9.2
85.02935	2.9
89.02421	6.6
96.96942	2.7
97.02930	2.3
97.66174	1.7
101.02432	8.6
108.40859	1.7
111.99675	1.7
113.02483	2.9
137.02484	4.2
151.03955	2.6
152.99655	14.6
162.03252	3.5
163.04057	3.6
165.01917	60.2
171.10219	3.8
175.04041	3.5
177.05571	8.8
179.03510	16.3
179.07126	3.1
180.04289	89.3
190.06429	12.8
191.03453	3.5
191.07178	3.9
192.04416	2.9
193.05045	3.4
194.05829	17.8
195.06645	100.0
203.07123	2.8
205.08788	16.3
206.05833	2.8
207.06651	12.6
208.07396	21.1
209.08141	2.7
210.05304	21.5
211.13437	18.1
222.08945	12.6
225.07686	38.3
229.12396	2.1
229.14297	12.8
241.01126	16.1
257.13034	12.3
301.11752	7.7
329.23404	19.7
389.16006	35.3
419.17188	2.1
442.57895	1.9
490.19308	2.1
507.16751	6.7
529.22998	7.9
567.22467	42.0
585.27850	2.3
597.23584	4.0
615.24573	68.8
635.87885	2.2
645.28625	53.8
655.45563	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2574
Annotation	Cineracipadesin E
Peak:m/z	Relative Intensity
51.22871	1.0
53.73719	1.1
56.74398	1.1
58.60120	1.0
59.01368	2.9
59.26624	1.3
61.68763	1.2
63.15498	1.1
71.01353	1.7
72.12210	1.3
89.02465	1.6
94.59958	1.4
101.02435	1.2
113.54208	1.3
114.80391	1.7
124.04049	1.5
125.68468	1.4
136.04013	1.6
163.18057	1.3
180.20808	1.4
191.05589	1.6
227.10562	1.3
283.06082	6.7
326.76077	1.3
384.13654	2.2
386.15021	6.7
390.14673	5.0
394.12103	1.7
398.15363	4.7
399.11942	1.8
400.12607	1.7
400.17130	2.5
404.16138	2.0
410.14780	2.7
412.13068	15.6
414.14633	14.1
416.16086	6.7
417.13123	3.2
427.15378	3.1
430.14166	46.0
431.15134	1.7
444.15790	5.0
445.16501	32.3
448.14990	7.4
477.15018	9.0
489.15506	6.1
569.23938	11.8
601.26727	23.2
613.23102	17.0
627.64417	1.5
645.25598	100.0
645.34766	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19418	0.7
57.08512	0.6
59.01380	44.2
59.13521	0.8
60.62697	0.7
64.39725	0.8
71.01376	1.3
74.99085	0.8
75.13277	0.9
83.05021	15.5
89.00666	17.5
95.24105	0.7
102.98583	3.9
110.76074	0.8
115.02198	1.9
127.03103	1.1
127.04006	28.0
129.05589	7.2
148.88603	0.8
155.05272	0.8
204.53531	0.8
325.02420	0.9
331.04694	0.9
409.22058	3.9
437.26944	3.2
469.24255	9.6
481.25626	1.2
499.25330	6.7
511.27020	1.3
645.27551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38983	0.7
56.87526	0.8
59.01373	4.0
59.61756	0.7
62.30806	0.7
63.60909	0.8
63.86378	0.7
71.01369	1.6
77.58227	0.7
78.95463	1.0
78.95901	17.0
79.39814	0.7
82.99909	0.7
85.02905	0.8
89.02412	1.4
96.96951	1.7
99.08154	4.0
125.09666	1.1
127.11260	1.4
152.99594	29.5
155.14413	0.9
165.01909	16.8
167.14435	2.0
171.10225	4.9
179.03496	5.8
180.04286	25.4
183.13936	8.0
190.06401	3.0
193.12383	3.3
194.05820	3.5
195.06648	24.4
205.08690	2.0
207.06540	1.5
208.07405	5.2
210.05371	6.2
211.13405	54.1
222.08995	3.5
223.00142	3.0
225.07687	8.7
228.34145	0.9
229.14458	39.9
241.01218	22.0
259.02374	1.4
293.21179	3.6
311.22467	1.6
315.04794	1.3
329.23370	43.7
389.16168	10.9
419.16977	1.7
567.18909	1.2
597.23291	12.6
631.67352	1.0
645.28760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08058	1.2
70.31395	1.2
72.61648	1.3
78.95901	18.2
96.96961	2.2
99.08128	6.1
127.11277	1.8
130.56114	1.4
134.66058	1.4
139.11238	14.9
149.77771	1.4
152.99580	28.5
157.12283	3.2
171.10281	57.7
211.13374	17.9
223.00160	3.3
229.14503	11.0
241.01141	16.5
259.02060	1.7
277.76440	1.5
315.05124	2.3
329.23383	37.4
359.38104	1.5
546.44995	1.5
629.78729	1.7
645.28986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38848	0.5
57.97534	0.7
59.01366	1.7
69.65673	0.6
71.01360	1.5
73.02934	0.8
74.03819	0.6
74.54958	0.6
78.95899	24.2
83.13190	0.8
87.36083	0.6
89.02431	0.7
89.58437	0.7
92.22458	0.8
96.96009	0.8
96.96951	5.7
99.08135	1.5
101.02435	1.6
113.02460	2.7
116.79916	0.8
127.11276	3.2
139.11298	8.1
151.04034	0.7
152.99585	31.0
155.10683	0.9
157.12296	1.5
162.07147	0.7
164.04781	1.5
165.01942	8.0
165.05562	1.0
171.10266	38.5
171.11746	1.5
179.03564	1.0
179.07054	1.0
180.04259	9.8
181.05086	0.8
183.13887	2.8
190.06430	0.7
194.05843	1.6
195.06635	11.2
207.06544	2.6
208.03772	3.2
208.07466	0.9
209.11823	0.9
210.05261	1.0
211.13422	17.4
223.06163	3.0
225.07664	4.0
229.14470	11.3
241.01205	35.3
257.13019	1.2
259.02325	1.0
273.59280	0.8
293.21277	1.3
311.22220	1.5
315.04807	4.0
329.23349	40.2
330.73444	0.8
375.91296	0.7
389.16208	4.8
391.09305	0.8
480.56714	0.8
486.65613	0.9
567.22253	4.0
585.27716	3.3
615.24554	4.6
632.27777	0.7
645.29004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07154	1.9
57.59602	2.4
59.01382	83.5
69.83662	2.2
71.01378	34.5
72.99281	2.7
75.55684	2.8
83.01350	2.5
85.02950	5.3
87.00878	2.3
87.30431	2.5
89.02433	34.2
97.02959	3.4
101.02436	16.7
113.02423	15.8
115.04005	4.7
119.03459	12.8
396.07318	3.1
458.95316	3.3
503.26608	28.0
601.30573	3.8
645.29260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.2
59.86546	4.0
65.38316	3.8
65.98114	3.9
71.01365	24.5
75.67654	3.9
88.60828	3.8
89.02441	25.2
101.02437	19.0
113.02427	7.1
115.04008	6.1
119.03492	6.3
127.32110	4.9
159.24229	4.6
201.09204	4.3
206.53220	4.6
229.23665	5.0
308.17795	9.3
323.20151	29.4
371.68283	4.7
503.26346	47.6
513.59290	4.9
645.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14642	0.7
53.39279	0.8
54.32284	0.7
55.19710	0.7
56.60460	0.8
59.01382	67.6
59.58945	0.7
61.61712	0.9
62.39014	0.8
71.01383	18.1
73.02960	7.8
83.01383	1.4
85.02952	4.6
85.32733	0.8
87.00866	0.9
87.04530	1.9
89.02434	11.1
92.80690	0.8
99.00895	1.1
101.02432	18.4
113.02447	9.6
119.03494	5.8
122.06074	1.0
125.02412	1.0
127.07656	7.7
128.84729	1.0
131.03568	1.0
136.07651	1.7
142.13069	1.0
145.03055	1.4
161.04492	1.1
171.11781	0.9
201.09555	1.2
211.17737	0.9
214.12440	4.3
230.11737	1.2
241.09865	4.5
242.10684	4.7
257.12973	24.5
301.11984	22.9
317.28973	1.1
319.91861	0.9
382.56232	1.1
386.19409	1.0
465.32214	4.0
471.80823	1.1
481.28534	1.1
483.33490	5.2
601.32422	100.0
645.26324	4.7
645.38721	66.7
648.03772	1.1
666.24353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3264
Annotation	Chondramide A
Peak:m/z	Relative Intensity
51.87783	1.3
57.49548	1.3
59.01375	6.1
59.25079	1.3
60.17977	1.3
67.26921	1.4
78.95907	23.2
85.06548	2.0
96.96954	2.7
104.45329	1.4
106.74874	1.3
119.03515	1.5
128.24443	1.3
152.99583	90.2
154.16704	1.5
255.23312	92.1
265.21371	1.7
293.21201	2.2
308.81219	1.8
315.04868	6.7
389.08444	2.0
645.32690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36501	1.3
59.42920	1.3
75.04398	1.6
77.72113	1.4
78.67924	1.5
84.31638	1.4
87.73280	1.5
130.29721	1.7
132.52261	1.9
134.03583	1.6
140.34023	1.6
148.71558	1.6
149.02409	6.0
152.99599	2.0
164.04788	16.7
175.00406	8.4
178.54446	1.6
190.02745	95.4
191.03410	2.1
205.05074	100.0
206.05882	3.2
207.46413	1.7
223.06136	28.8
232.03963	1.8
247.06155	7.5
277.21722	3.6
645.31940	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28454	0.5
75.29788	0.5
75.78992	0.5
78.29729	0.5
95.53369	0.6
117.03469	5.5
119.05028	0.8
121.02877	1.0
132.05804	26.5
134.03731	0.8
145.02951	96.9
160.84547	0.6
162.03241	1.0
163.04042	0.8
164.07097	0.6
175.03973	2.5
177.05600	0.8
186.12471	1.1
186.97926	0.7
283.23846	1.2
409.27167	11.3
436.82510	0.7
437.30582	12.4
469.33032	3.3
469.39496	0.7
645.37988	100.0
650.51447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82386	0.6
57.03457	1.0
57.80968	0.6
59.01384	38.1
70.04907	0.7
71.01375	14.7
72.18223	0.8
73.02943	5.5
83.01385	1.5
85.02949	4.6
87.00911	1.3
87.04518	4.7
89.02453	9.8
92.22514	1.0
93.42631	0.7
97.37578	0.8
101.02441	16.0
113.02438	9.1
119.03513	3.8
127.07647	14.1
132.24200	0.8
214.12375	1.6
217.26277	0.7
242.10762	1.0
257.12949	10.3
301.11963	8.2
465.32108	5.6
483.33292	10.5
601.32458	23.7
627.37958	1.2
645.38739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52283	2.2
61.98830	23.0
65.86255	3.1
71.45071	2.7
97.02944	6.0
106.38293	2.6
120.45935	2.6
121.02939	4.4
132.02538	3.0
156.39407	3.0
165.01936	12.1
176.01141	3.4
177.01965	4.8
193.01405	6.7
199.07817	3.4
209.06020	4.0
212.06946	3.1
213.05615	4.0
225.05496	3.4
227.07121	11.7
243.06599	6.6
253.05032	10.6
255.06693	4.8
271.06107	5.5
281.04599	19.1
283.06143	6.4
293.21558	4.1
299.05643	100.0
311.22296	11.1
455.59937	2.7
583.12872	5.4
646.33374	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25714	0.5
54.74254	0.4
58.67355	0.5
59.01369	0.6
61.98821	0.6
65.08240	0.5
78.52345	0.5
85.02930	0.8
89.02489	0.7
96.73920	0.6
96.84480	0.8
99.00848	1.1
111.04580	0.7
113.02444	100.0
113.50761	0.6
162.26520	0.6
181.12381	2.4
207.10298	1.2
225.11322	10.1
243.12445	5.3
341.15915	0.9
355.73746	0.7
474.12656	9.6
485.20471	12.7
599.23584	9.1
646.25635	4.1
646.36273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16893	2.1
67.67929	2.1
71.01385	2.8
72.99308	2.7
83.05013	3.8
85.02928	3.7
93.03455	13.1
111.04517	18.7
113.02435	10.1
127.03169	2.8
127.04025	42.5
127.87922	2.3
135.04521	31.6
137.02406	5.4
155.03496	56.9
159.61259	2.3
161.02391	16.8
171.03105	2.4
173.04539	96.2
179.03506	70.7
191.05647	47.6
193.05107	2.5
199.02498	44.1
217.03555	60.4
267.07214	27.2
295.59311	2.1
353.08832	100.0
408.11279	2.7
429.10419	44.4
493.06461	2.3
581.40179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.5
62.33883	1.2
65.85433	1.1
71.01374	3.4
71.05019	1.5
72.99297	11.7
76.87268	1.5
77.49377	1.5
77.57195	1.2
81.18735	1.3
83.05030	10.6
85.02941	1.6
85.68122	1.2
87.00866	1.6
111.04517	19.0
113.02414	11.3
115.03992	3.0
122.34538	1.3
127.04008	55.0
129.05563	5.5
135.04524	1.8
155.03499	78.8
161.02466	9.8
164.35896	1.3
171.03036	2.6
173.04395	1.9
179.03448	2.9
199.02499	57.8
203.47943	1.5
217.03545	100.0
249.06207	1.7
267.07199	36.9
400.61221	1.6
429.10431	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
59.45760	0.2
62.53910	0.2
62.94046	0.2
72.72104	0.2
79.95748	1.2
93.70258	0.2
96.96004	100.0
98.41914	0.2
102.87315	0.2
104.25697	0.2
126.04325	0.2
131.04672	0.4
283.18433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00739	0.5
62.52018	0.6
67.01884	5.8
72.94305	0.6
85.02943	1.2
109.02946	4.0
111.00874	100.0
123.04504	4.0
136.01611	0.8
151.03966	2.5
159.04515	0.9
160.05267	3.9
172.05287	2.4
173.06042	3.7
187.07613	0.7
188.68022	0.7
217.05060	13.8
219.06638	5.7
231.06619	9.5
237.07845	1.2
296.10513	5.3
311.12918	3.6
313.10797	1.4
340.09503	8.5
355.11890	25.9
373.12973	42.8
458.45706	0.8
535.10059	1.1
535.18298	34.7
647.19598	8.2
647.29144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93050	0.7
59.01371	3.1
69.02476	0.8
71.01391	1.2
89.02415	1.1
101.02451	1.7
111.42334	0.8
117.22123	0.7
121.02937	1.0
133.02946	12.7
134.03726	19.5
135.04536	22.0
137.02441	9.2
139.04022	4.4
149.02412	2.0
150.03218	1.2
154.44487	0.9
161.02440	81.0
162.59633	0.8
164.04784	4.7
175.00375	0.9
175.04012	1.0
176.01118	5.2
178.02718	6.5
178.05052	10.2
179.03481	18.3
179.05412	4.8
179.06973	1.2
187.07680	1.5
190.02742	7.4
191.03531	11.9
193.05009	1.1
205.05086	19.0
209.04520	1.4
214.60699	0.9
223.06131	6.0
229.14418	4.0
233.04527	0.9
390.47086	0.8
410.03024	1.0
441.14078	16.0
647.19867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44783	0.4
51.57754	0.4
58.96154	0.4
60.78535	0.6
71.01404	0.6
92.23149	0.5
99.04510	0.8
113.02464	0.5
124.63586	0.5
133.02960	4.7
134.03738	5.7
135.04526	59.4
149.02431	0.9
149.06001	0.6
150.03268	0.7
158.65527	0.6
161.02441	56.5
164.04797	4.2
176.01175	5.0
178.02702	1.2
179.03506	42.2
183.84947	0.5
190.02737	10.7
191.03516	12.7
193.05081	3.4
201.02303	0.6
205.05077	18.2
223.06111	3.7
263.09286	1.1
273.88150	0.6
316.46033	0.6
339.63171	0.6
441.14005	19.6
549.97876	0.6
647.19928	100.0
665.64294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45668	0.3
80.04881	0.4
85.02959	2.3
113.02442	100.0
129.23303	0.4
134.03706	0.5
150.03317	0.7
165.05428	0.4
175.04053	0.4
193.05078	0.4
245.76392	0.5
350.13065	0.4
505.78198	0.4
533.16974	2.2
556.99548	0.5
613.02368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01371	0.8
60.99280	0.6
65.03500	0.4
67.01891	2.5
71.01346	0.9
77.25684	0.4
78.18120	0.4
81.03455	0.9
85.02947	4.0
87.00877	5.3
93.03454	21.0
98.24650	0.4
111.04498	4.2
113.02467	0.8
113.64570	0.5
115.98215	0.4
129.01949	2.1
132.69351	0.5
134.03735	5.3
135.04536	12.8
137.02400	0.8
145.02931	0.7
146.76077	0.4
155.03496	1.0
161.02431	22.5
163.77495	0.4
171.48344	0.5
173.04558	12.3
175.04015	0.6
175.87326	0.6
178.02684	1.9
179.03514	8.0
191.05630	100.0
193.05070	7.9
203.07219	0.5
227.07156	0.9
279.08755	42.2
367.10376	50.4
559.23370	0.6
647.20905	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
62.54313	0.3
71.01397	1.1
85.02940	2.5
89.02452	0.4
101.02402	0.3
113.02444	100.0
127.68270	0.3
134.03764	0.5
149.06100	0.5
161.02298	0.3
175.04016	0.4
188.83037	0.3
193.05061	6.1
238.01213	0.3
291.08557	0.3
333.10004	0.6
435.13065	6.7
533.16583	3.9
543.28290	0.4
559.13666	0.3
571.45074	0.3
603.31818	0.7
616.61566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2042
Annotation	Cyclomaltodextrin
Peak:m/z	Relative Intensity
50.79928	1.2
54.24007	1.3
57.00488	1.3
58.18266	1.5
59.01388	1.6
66.91505	1.5
71.01338	2.0
89.02398	2.0
99.91463	1.6
108.02142	3.2
111.00858	10.1
171.44055	1.6
178.85565	1.6
218.67593	1.5
274.96988	1.7
329.03329	7.1
330.04080	41.4
331.04733	11.6
344.05603	25.1
345.06427	17.9
346.07159	13.1
359.08124	2.7
360.08893	13.7
438.05994	8.1
439.06824	8.3
453.08521	10.7
454.09363	42.5
493.10471	27.0
523.15063	8.3
617.16443	5.8
647.20392	100.0
647.29797	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81737	1.1
59.01374	11.8
59.05833	1.2
60.12347	1.1
71.01373	7.4
73.02959	1.2
76.10871	1.1
83.13011	1.3
85.02927	1.3
86.55793	1.1
87.00856	1.8
89.02434	7.1
101.02416	2.4
113.02431	1.7
113.60873	1.2
147.04500	2.3
149.02481	10.7
164.04784	35.0
175.00368	2.1
175.04010	12.0
179.07130	2.8
190.02724	49.4
191.03491	2.3
193.05031	1.7
205.05067	69.1
223.06145	30.6
271.06143	2.3
285.07736	17.9
286.08514	3.1
300.10074	9.5
301.10889	7.4
308.51462	1.6
331.11874	10.4
430.63333	1.3
439.15933	12.1
647.21960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70423	0.9
51.67096	1.0
71.01359	1.3
78.02674	0.9
78.96770	1.0
80.72528	1.0
93.03452	9.5
111.04513	2.2
116.68524	0.9
133.02985	1.6
135.04526	34.4
137.02451	4.6
155.03493	5.5
161.02487	1.2
162.44263	1.3
173.04547	88.8
179.01915	2.2
179.03499	66.3
191.05630	60.4
221.03929	1.6
237.05313	1.2
274.57230	1.3
293.12460	1.3
353.08829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62464	0.6
57.10992	0.7
59.01378	6.2
65.60305	0.8
71.01385	1.5
85.02708	0.8
89.02438	4.3
101.02444	0.9
107.14423	0.8
109.99405	1.5
110.00092	17.8
117.02821	0.8
125.02435	7.1
127.92552	0.9
137.02444	3.7
151.03996	2.1
160.56656	1.0
166.02747	0.9
169.01379	5.1
181.05099	11.9
182.05861	100.0
195.03024	3.6
196.07506	1.8
197.08211	62.6
225.04086	5.5
231.02888	1.6
235.31052	1.1
239.05594	1.3
246.05374	11.9
257.06665	23.4
261.07727	4.2
276.06430	1.0
284.03537	1.0
291.08759	3.9
384.08832	1.0
423.13000	3.8
431.13235	1.1
441.26041	1.1
449.14392	1.4
455.15552	1.7
504.12714	1.1
647.22589	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35320	1.1
59.01385	100.0
61.98832	1.0
63.71175	0.9
70.94642	1.1
71.01383	2.1
71.15263	1.0
77.01769	1.2
78.95916	1.2
91.36632	1.0
96.83468	1.2
101.02480	1.5
142.75937	1.2
148.54228	1.3
164.68631	1.3
192.76482	1.4
197.12601	1.5
248.49997	1.2
254.13350	1.3
300.47995	1.3
639.26935	1.3
647.23730	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.72437	1.2
71.01377	44.7
71.01736	2.7
72.99300	2.1
75.08323	1.3
82.08962	1.5
85.02956	9.3
87.00866	2.5
89.01884	2.4
89.02438	68.1
89.87582	1.4
92.23111	1.5
95.01363	1.8
97.02946	3.0
101.02443	27.5
113.02439	20.0
115.04007	31.1
119.03496	31.6
130.16624	1.4
131.03465	1.7
137.02438	2.4
138.03239	8.8
140.87329	1.3
143.03519	3.5
151.03978	3.7
153.05559	7.1
160.05231	3.3
161.04527	8.2
165.01872	10.2
179.03477	2.5
179.05629	38.6
180.04276	18.3
181.05112	13.6
188.04787	2.5
194.05846	2.1
194.58791	1.6
195.06668	26.5
201.11302	2.2
203.07155	6.4
210.05249	2.2
225.07716	8.6
309.07529	2.7
324.10101	5.6
339.12436	9.5
369.13367	28.5
387.14828	10.8
391.14108	2.4
406.16577	1.8
421.18677	10.2
531.18939	23.5
599.25220	9.7
629.24908	3.3
647.27087	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35203	1.2
59.01383	2.7
61.56743	1.2
96.06448	1.4
113.02406	1.7
125.02469	2.1
135.04512	9.1
137.02472	12.5
138.03230	2.3
139.04018	2.9
151.03999	3.2
152.04825	6.5
153.05519	1.7
161.02441	11.4
162.03217	1.8
163.04018	2.7
164.04759	7.0
164.75710	1.7
165.01935	53.0
179.03511	15.9
179.07140	8.0
180.04285	77.9
181.05086	9.7
191.03651	2.0
191.07149	2.0
194.05896	8.4
195.02873	2.5
195.06645	100.0
205.05077	2.1
209.08272	13.0
210.05397	15.7
211.43715	1.7
225.07721	31.2
249.62202	1.7
271.41757	1.7
357.14026	1.6
361.12982	3.8
375.14285	6.2
391.14078	13.7
406.16541	13.8
407.17258	3.1
421.18738	39.5
441.63422	1.6
599.25104	35.1
629.25879	14.0
647.27936	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68609	0.9
78.70994	1.1
102.34499	1.1
111.00865	4.3
125.02338	1.1
137.02420	4.9
139.03998	2.2
139.05000	1.2
151.04041	1.1
158.16789	1.3
165.01913	45.0
177.01932	1.4
179.03496	7.2
180.04279	76.6
181.04985	2.3
194.05864	2.7
195.06633	100.0
209.08035	2.5
210.05333	20.7
225.07678	47.4
307.59146	1.3
330.83643	1.2
361.12924	2.0
375.14621	1.2
391.13965	5.4
406.16187	4.9
421.18732	27.5
500.23492	1.5
591.13342	1.3
599.24957	4.9
617.25262	2.8
629.25885	2.7
647.27124	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21594	2.4
59.01385	3.8
61.98835	4.2
71.01372	3.8
77.15894	2.7
138.05644	3.9
150.05574	4.6
174.05614	5.0
177.01897	22.1
201.10338	3.7
229.09900	21.8
229.13335	4.6
239.12070	6.4
255.11433	5.4
257.13028	4.8
266.11136	3.1
285.12469	5.1
301.11929	26.2
315.29358	3.2
319.13031	77.3
372.13431	3.9
377.13980	6.5
383.20639	3.0
386.14767	5.2
387.16095	4.2
404.16199	6.1
405.16943	4.4
414.15021	4.6
432.15637	4.6
437.16025	3.9
479.11084	3.3
529.24634	12.6
571.25800	33.6
574.25403	3.4
615.24658	60.5
647.27728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74224	0.9
52.72315	1.0
58.12309	0.9
59.01383	6.3
61.90249	1.2
71.01375	1.6
71.54359	1.1
72.99303	2.2
83.76175	1.1
99.42780	1.1
101.02445	1.2
103.46934	1.2
108.86190	1.1
124.04028	1.9
124.07660	2.8
136.04103	2.5
137.04803	1.3
138.05566	2.6
140.58345	1.1
150.03186	1.3
150.05594	1.4
161.04811	2.2
171.66026	1.2
174.05634	1.8
181.78276	1.2
189.05495	1.2
201.10382	2.8
203.93906	1.1
213.10294	4.5
217.13516	2.6
229.09885	13.3
229.13388	4.8
239.11974	6.2
247.10822	2.1
255.11400	2.3
257.13019	6.6
273.12497	7.7
285.12378	8.3
289.12024	8.9
301.11951	23.4
319.13046	66.3
327.13498	5.9
370.15549	1.9
372.13583	5.3
374.15265	1.4
377.13858	7.1
386.15100	5.2
388.16940	5.0
390.14664	2.7
400.16684	2.6
404.16345	6.7
405.17050	6.9
414.14621	5.3
418.13971	1.8
419.14749	1.6
428.16089	1.6
432.15756	5.9
437.15955	2.8
446.17380	1.8
447.18164	2.1
529.24628	8.8
571.25745	14.6
615.24713	37.6
647.27527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
67.01569	0.6
67.01897	4.1
71.01392	0.9
85.02929	1.1
89.02420	2.8
96.95998	16.5
101.02452	1.0
111.00871	100.0
113.02444	0.7
125.82193	0.7
161.55177	0.7
178.17888	0.6
194.72296	0.7
253.63560	0.8
373.12866	1.3
410.07651	0.8
535.19690	1.1
535.27301	7.6
647.20038	1.3
647.29346	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77661	2.5
59.01381	95.0
59.09211	2.9
61.06397	2.3
62.00753	2.6
63.64798	2.6
65.09684	3.4
71.01379	60.7
71.87463	2.6
72.99302	2.7
73.02940	16.2
78.95923	2.8
83.01386	5.1
85.02942	30.0
88.46524	2.4
88.98808	2.7
89.02446	34.4
90.98161	2.7
92.22530	3.4
95.01377	4.7
99.00858	6.5
101.02426	42.7
106.00381	2.6
113.02442	48.2
119.03481	13.4
149.44611	2.5
161.04541	3.2
186.36131	3.2
195.86629	2.8
216.62613	3.0
243.39630	3.2
423.22577	5.2
428.05075	3.2
543.28217	99.3
543.36041	5.6
561.29211	76.8
603.30280	100.0
647.22766	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	0.9
85.02930	4.5
91.34932	0.4
93.87805	0.4
97.02944	15.1
101.02460	0.6
112.19485	0.5
115.03999	100.0
124.04069	0.6
145.02995	0.7
175.04030	0.7
191.05661	2.5
205.05101	1.0
213.07640	5.5
227.07104	2.2
233.42854	0.5
259.15359	0.5
272.06934	1.7
287.09235	2.9
433.24460	0.6
539.37067	0.6
647.19342	1.0
647.33716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	0.9
85.02930	4.5
91.34932	0.4
93.87805	0.4
97.02944	15.1
101.02460	0.6
112.19485	0.5
115.03999	100.0
124.04069	0.6
145.02995	0.7
175.04030	0.7
191.05661	2.5
205.05101	1.0
213.07640	5.5
227.07104	2.2
233.42854	0.5
259.15359	0.5
272.06934	1.7
287.09235	2.9
433.24460	0.6
539.37067	0.6
647.19342	1.0
647.33716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.5
59.01380	30.0
59.01650	1.9
65.66309	0.9
65.86939	0.9
71.01373	20.6
73.02937	4.1
78.95910	1.4
81.08125	0.9
83.01372	2.3
85.02950	5.7
87.00871	2.4
89.02431	24.8
92.23186	1.2
95.01335	1.1
97.02944	2.1
99.00869	1.0
101.02434	23.9
113.02442	13.6
115.04161	0.9
119.03483	7.0
125.02402	6.4
143.03510	1.8
161.04530	2.1
179.05624	2.2
235.08202	7.1
249.18602	85.1
253.09273	5.5
259.65570	1.3
263.07599	1.5
357.45758	1.0
397.13538	100.0
415.14551	33.1
647.32892	14.2
647.43457	1.2
647.46936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93762	1.3
58.57405	1.2
59.01383	37.5
67.69257	1.2
71.01369	20.9
72.99323	1.5
73.02948	7.3
83.01389	3.2
85.02946	7.2
87.00855	2.6
89.02440	23.3
95.98323	1.3
97.02924	2.1
100.93132	1.3
101.02441	24.2
113.02460	11.8
116.92864	2.7
119.03500	3.0
125.02423	5.6
126.04858	1.3
143.03546	1.9
151.76471	1.3
161.02451	1.7
161.04553	9.0
173.04611	1.4
179.05605	2.0
191.05611	12.0
212.13583	1.3
235.08232	7.9
249.18613	90.0
253.09290	2.4
279.35898	1.5
323.16315	1.8
325.90494	1.7
397.13583	100.0
415.14578	34.9
526.17731	1.8
647.32727	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	89.3
59.96724	0.8
61.35911	0.9
61.98836	1.3
67.64605	0.9
71.01375	19.1
73.02936	4.8
73.71796	1.0
83.01381	2.3
84.26405	1.3
85.02937	6.2
89.02439	16.0
97.02885	1.3
99.00875	1.4
101.02439	19.9
111.38760	1.1
113.02444	10.0
119.03471	4.9
161.04604	1.4
163.04013	1.3
184.14058	1.3
193.05072	1.2
196.30148	1.1
266.82507	1.2
267.11411	1.7
284.53220	1.3
499.32849	12.9
543.31885	6.2
561.32959	1.7
573.23102	1.8
603.33960	100.0
647.38043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	89.3
59.96724	0.8
61.35911	0.9
61.98836	1.3
67.64605	0.9
71.01375	19.1
73.02936	4.8
73.71796	1.0
83.01381	2.3
84.26405	1.3
85.02937	6.2
89.02439	16.0
97.02885	1.3
99.00875	1.4
101.02439	19.9
111.38760	1.1
113.02444	10.0
119.03471	4.9
161.04604	1.4
163.04013	1.3
184.14058	1.3
193.05072	1.2
196.30148	1.1
266.82507	1.2
267.11411	1.7
284.53220	1.3
499.32849	12.9
543.31885	6.2
561.32959	1.7
573.23102	1.8
603.33960	100.0
647.38043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3963
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
61.03088	0.2
65.12367	0.2
66.10285	0.2
75.16740	0.2
83.27084	0.3
86.00683	0.3
93.03467	0.3
96.04210	0.3
111.26850	0.3
121.10268	0.3
133.02954	1.1
134.03751	2.4
137.02420	1.8
139.04047	0.6
147.04507	0.4
148.05305	23.5
157.63217	0.3
161.02441	25.0
162.03247	1.4
178.02734	1.4
191.03531	1.1
193.05023	0.4
198.32759	0.3
243.58095	0.3
277.21893	0.5
278.22150	0.3
499.97818	0.3
506.60788	0.3
647.39630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.40098	0.5
92.23073	0.7
146.23439	0.5
164.04816	2.3
223.06062	3.8
229.34770	0.5
281.43509	0.5
323.29141	0.6
353.19556	0.5
508.22049	0.5
585.21954	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09833	1.4
58.61713	1.6
69.53609	1.5
111.11835	1.6
112.98399	1.8
125.06072	3.2
128.71654	1.9
135.04494	3.4
145.02991	3.2
146.03253	2.6
158.08884	2.0
162.68465	2.1
169.05099	3.9
173.04552	11.1
174.04909	2.6
179.03485	7.3
191.05641	8.8
216.05138	100.0
225.88481	1.9
295.65744	1.8
306.30014	1.7
353.08713	9.0
354.09271	8.3
415.88116	2.0
426.14642	2.7
431.15460	2.6
648.21271	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91621	0.2
54.24409	0.2
55.89424	0.2
61.98833	100.0
71.67680	0.2
80.33862	0.2
97.76134	0.2
99.54132	0.2
113.01721	0.2
140.76064	0.3
149.02448	1.2
164.04785	3.2
205.05084	0.5
223.06120	3.4
344.32031	0.3
430.06799	0.2
522.14563	0.2
585.22003	2.6
648.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
75.71921	77.5
78.64191	75.4
86.76213	66.0
92.23133	100.0
105.64566	72.9
201.47415	80.7
377.12384	83.2
430.73831	98.5
534.47552	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02978	0.4
73.03537	0.3
74.04909	0.4
79.17110	0.3
85.02958	1.7
89.33421	0.3
93.03455	1.4
111.04517	1.3
113.02442	100.0
127.11314	0.6
132.82393	0.3
137.02440	0.5
149.62650	0.3
163.26991	0.4
171.10139	0.3
173.04497	2.6
173.11824	19.7
179.14645	0.4
182.74899	0.3
184.14407	0.3
203.97299	0.3
212.98779	0.3
226.76520	0.4
294.60944	0.4
345.75604	0.4
427.12686	0.5
474.12469	10.8
474.18472	0.6
655.80273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91709	0.7
61.98830	100.0
68.75161	0.7
70.40851	0.6
80.23466	0.6
102.09949	0.7
102.79409	0.7
116.48636	0.7
134.03760	1.3
164.55807	0.7
193.05067	4.5
209.74959	0.6
262.91339	0.7
416.01456	0.9
502.39734	0.9
585.25366	3.0
648.26117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13200	0.9
58.76017	1.0
59.05730	1.1
60.28379	1.0
61.20366	1.0
61.98852	1.2
61.99151	1.0
65.63145	1.3
97.73482	1.1
101.84094	1.3
106.33057	1.2
111.08174	1.9
119.34228	1.3
125.09702	6.6
127.75696	1.1
153.12842	28.6
173.79814	1.3
186.11371	5.9
196.13521	1.5
197.11847	46.9
214.14500	60.2
215.12897	26.4
267.57291	1.5
280.26483	2.3
350.23373	1.6
367.26025	28.2
497.89178	1.4
500.48856	1.3
648.53290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33614	2.0
59.75253	1.9
60.52749	2.3
63.37994	1.6
69.76891	1.9
71.01368	4.7
72.99303	39.1
81.32565	1.8
83.11688	2.0
92.23207	3.3
115.00360	43.8
122.71589	1.9
123.04529	8.0
133.00455	4.0
133.01436	100.0
135.04514	13.7
171.55127	2.3
179.03505	45.8
195.66603	2.5
197.04581	99.9
197.06401	3.2
359.09949	4.7
497.12820	5.1
515.14142	77.6
515.21814	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	10.5
72.99299	25.1
74.97142	0.8
89.02429	1.0
90.63365	0.8
98.81107	0.7
111.04479	1.5
113.43330	0.8
114.99592	1.6
115.00360	33.3
123.04490	5.6
133.01422	100.0
135.04527	6.1
138.90207	0.8
179.03490	22.5
191.05650	1.7
195.80200	0.8
197.04564	59.2
220.11755	0.8
296.48749	0.8
359.09882	4.6
359.90894	0.9
475.30615	0.8
497.12894	4.8
515.14081	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12658	0.8
57.19034	0.7
59.01377	12.1
68.46951	0.7
71.01387	4.3
73.02924	1.8
85.02958	2.0
89.02451	4.2
95.04919	0.9
101.02441	5.6
101.66253	0.9
113.02422	1.8
115.04008	2.9
119.03497	1.4
135.04472	1.7
137.02399	1.1
140.16255	0.8
151.04080	1.3
161.02412	1.2
164.04796	1.4
165.01939	7.6
166.02263	1.5
179.03503	3.6
180.04268	11.1
181.04730	6.4
182.05247	1.0
194.05852	1.3
195.06641	15.0
196.07016	6.5
197.07153	4.3
205.05171	1.0
210.05371	1.3
211.05611	1.2
225.07730	1.7
226.08090	1.9
227.08241	1.2
284.03287	87.6
299.05640	100.0
341.06525	1.6
351.86389	1.0
393.14813	1.3
408.17050	1.4
421.18982	2.1
422.18854	1.4
423.19217	5.2
468.20456	1.0
470.62491	1.1
488.09692	1.0
585.34137	1.0
601.25714	9.9
607.16742	4.9
631.27045	3.2
649.18201	16.4
649.27325	10.4
649.34930	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03801	0.2
56.19431	0.2
57.69075	0.2
59.01379	1.2
63.94492	0.2
71.24886	0.2
71.50046	0.2
73.02937	0.2
78.95123	0.2
80.87138	0.3
101.02450	0.3
103.12966	0.2
119.03495	0.2
119.04988	0.3
128.66653	0.3
136.98822	0.4
222.80467	0.3
227.07060	0.3
240.04323	1.4
241.39783	0.3
256.03931	0.4
283.06088	0.4
284.03296	31.9
299.05646	100.0
469.72467	0.3
527.41846	0.3
605.34625	0.4
649.17767	6.5
649.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78518	0.3
51.50544	0.4
59.01384	0.5
76.91077	0.3
81.70385	0.4
86.51933	0.4
87.59328	0.4
95.61779	0.3
100.28477	0.5
113.02387	0.4
146.87265	0.4
188.66708	0.4
220.06209	0.4
284.03290	85.1
299.05640	100.0
553.22064	0.4
649.17914	11.9
649.28992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04367	0.9
58.75980	0.9
59.01387	1.5
60.56531	0.8
72.99306	7.3
83.05016	6.9
85.05302	1.1
90.41486	1.1
92.51694	1.1
101.80791	1.1
111.04506	17.5
115.03984	6.5
119.28113	1.0
127.04003	52.8
129.05557	4.8
137.02477	2.1
145.02986	1.3
151.64928	1.2
155.03497	64.5
163.04041	1.7
171.86075	1.1
191.05632	1.9
199.02498	47.4
214.73442	1.0
216.05081	4.3
217.03534	100.0
223.06107	1.3
238.56993	1.1
293.95575	1.1
431.06714	2.2
530.08826	1.2
559.49353	1.1
574.79919	1.1
647.09973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00839	0.7
52.58425	0.8
59.01384	55.4
59.01686	2.0
61.18047	0.8
71.01376	11.3
73.02951	4.8
85.02944	3.5
89.02438	10.5
93.03454	16.3
101.02420	11.2
113.02463	8.2
119.03516	3.1
122.99264	1.0
137.02449	100.0
143.03514	1.4
153.64116	0.9
159.02927	1.2
161.04573	8.1
180.04257	1.0
191.05643	1.0
197.55449	0.9
245.10320	5.8
258.04367	1.2
263.11371	11.6
272.45337	0.9
299.07730	20.7
305.12460	41.6
310.65216	1.0
369.57907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57159	0.4
59.01393	4.9
65.09074	0.4
69.32912	0.5
71.01378	1.1
75.86301	0.4
85.02946	3.4
89.02438	2.4
101.02454	3.3
113.02441	100.0
128.17970	0.4
135.11807	0.7
149.26717	0.5
161.09706	0.5
165.05551	0.7
179.10840	4.3
195.06615	1.7
223.09825	0.6
246.53934	0.5
293.98694	0.6
307.44736	0.5
343.12064	2.0
391.14258	1.0
469.20898	3.7
535.18103	7.1
649.27350	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77074	0.7
57.48216	0.6
67.01891	4.1
68.86813	0.8
77.72497	0.8
96.95374	1.2
96.95998	36.5
98.95033	1.0
98.95580	8.9
98.96172	0.8
98.96397	0.8
101.02419	1.0
111.00873	100.0
129.01947	1.1
172.87173	0.9
176.04787	2.0
191.07144	23.4
200.12947	4.3
215.83754	1.0
245.37532	0.9
250.42635	0.9
327.12366	3.9
375.14484	13.2
537.20166	8.2
592.53687	1.0
643.06854	1.2
649.21460	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77074	0.7
57.48216	0.6
67.01891	4.1
68.86813	0.8
77.72497	0.8
96.95374	1.2
96.95998	36.5
98.95033	1.0
98.95580	8.9
98.96172	0.8
98.96397	0.8
101.02419	1.0
111.00873	100.0
129.01947	1.1
172.87173	0.9
176.04787	2.0
191.07144	23.4
200.12947	4.3
215.83754	1.0
245.37532	0.9
250.42635	0.9
327.12366	3.9
375.14484	13.2
537.20166	8.2
592.53687	1.0
643.06854	1.2
649.21460	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05850	0.4
59.01384	0.8
64.09969	0.4
64.96091	0.4
71.01392	0.7
85.25043	0.4
93.03455	28.0
96.96001	2.3
101.02453	0.8
101.52881	0.4
101.96856	0.5
106.51515	0.5
111.04524	3.2
115.04015	0.8
123.04507	0.9
127.04015	6.2
137.02448	100.0
153.05603	3.5
155.03485	3.3
169.31844	0.5
191.05658	0.5
199.02515	4.6
205.08736	0.5
208.07417	0.6
296.85541	0.4
359.15210	1.9
389.16299	0.5
561.69745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
59.01391	3.6
59.42893	1.4
60.05103	1.4
72.13494	1.8
88.02708	1.6
96.95995	21.8
101.02454	3.2
101.19988	1.5
106.17097	1.8
111.00828	2.1
111.04523	11.2
113.02438	5.7
121.02975	2.5
122.03657	1.9
127.04024	21.4
128.63351	1.5
134.03731	16.8
137.02422	2.5
148.05251	2.4
149.02393	3.3
149.06053	11.7
150.03230	32.5
154.02991	2.0
155.03488	11.0
160.01639	2.9
162.42949	1.9
164.04851	3.8
165.05556	100.0
175.04021	31.0
176.04822	14.7
178.02721	14.8
180.04306	11.1
181.04816	1.7
183.20845	1.5
191.07147	46.8
192.04288	2.0
193.05060	65.9
195.06625	31.5
199.02507	14.2
206.05937	2.2
220.03813	3.3
233.06041	2.3
235.06110	38.8
250.06372	2.2
282.09070	12.9
282.11685	1.7
311.09268	1.7
325.07556	1.7
340.09454	2.4
341.10306	17.6
355.12054	3.5
368.09079	1.9
383.11484	13.7
389.12469	73.5
410.18784	1.9
431.13565	38.7
461.14581	13.7
491.15649	47.1
551.18134	2.5
629.42371	1.9
649.20752	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58285	1.3
62.12170	1.4
66.20110	1.3
77.12703	1.4
78.56405	1.2
93.03427	1.6
99.00929	1.7
107.05029	2.9
137.02402	6.9
147.04536	1.9
151.03938	7.7
153.05487	2.1
165.05571	2.3
166.02675	3.0
181.03479	2.2
181.05069	56.6
182.05853	100.0
196.07387	11.2
197.08212	59.6
229.05067	3.2
244.07434	2.0
251.09349	2.2
255.06520	2.2
261.11340	1.7
271.06088	6.6
285.07703	2.2
285.11209	2.0
298.08344	2.2
300.09653	1.9
301.07379	1.8
331.11896	2.7
352.29074	1.5
352.34534	1.8
377.56491	1.7
464.58963	1.9
511.19482	2.4
527.41174	1.9
529.20612	1.8
573.19714	1.8
617.18884	24.5
649.21368	95.4
649.30560	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16167	0.3
57.73907	0.3
59.01370	1.6
71.01376	0.5
72.81007	0.4
85.02934	2.6
87.16525	0.4
89.02446	0.8
93.03464	0.6
99.54199	0.4
101.02465	0.6
113.02419	0.6
117.01904	0.5
119.03427	0.4
121.68208	0.4
127.03992	0.6
134.77167	0.4
135.56889	0.4
173.04491	0.7
191.05624	100.0
265.09323	1.6
302.83551	0.4
649.21008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74490	0.9
55.78659	0.9
55.94098	0.9
59.01099	1.7
59.01380	30.7
62.57711	1.1
71.01373	17.1
73.02953	2.4
73.28939	1.4
84.15475	1.4
85.02940	6.4
89.02441	18.6
100.68892	1.2
101.02444	15.5
113.02450	10.2
116.80419	1.4
119.03477	1.9
135.11827	3.0
161.04507	1.7
161.09700	5.4
165.05522	1.5
175.03867	1.2
179.10786	22.6
193.04935	1.2
223.09703	5.5
432.56882	1.4
469.20871	27.4
481.97168	1.7
649.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95011	0.9
58.04669	1.0
59.01381	32.3
71.01375	20.0
73.02928	2.2
75.42283	1.2
76.49545	1.1
79.80956	1.0
85.02936	6.7
87.00858	1.8
89.02438	23.4
96.95972	2.3
101.01880	1.0
101.02459	18.5
113.02432	10.8
117.05630	1.3
119.03503	5.8
119.05025	2.0
127.24660	1.2
135.11800	7.2
151.03854	1.2
158.66634	1.2
161.04536	2.0
161.09695	7.7
163.03954	2.4
165.05626	1.2
172.41589	1.3
174.36230	1.2
179.10773	24.8
181.05098	7.1
182.05844	19.6
196.07376	1.7
197.08208	12.9
223.09692	10.5
258.08792	1.3
274.21497	1.2
283.06625	1.2
304.72574	1.7
305.07477	1.3
314.47015	1.2
335.91528	1.2
353.10336	1.4
462.68375	1.3
469.20779	26.0
545.19861	1.5
561.47302	1.4
617.18866	16.0
649.27258	100.0
673.32990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
56.00457	0.3
58.72603	0.2
59.01383	6.0
59.26973	0.2
59.28057	0.2
64.75491	0.3
64.88815	0.3
69.03465	0.3
71.01382	3.1
73.02948	0.6
75.07781	0.2
81.99828	0.3
85.02940	2.9
89.02457	2.1
92.22485	0.3
101.02439	3.3
113.02442	100.0
119.03450	0.3
135.11809	1.4
150.03333	0.3
161.04588	0.4
161.09731	1.2
165.05527	0.7
175.03912	0.4
179.10773	4.9
190.26009	0.4
195.06633	0.7
223.09813	1.7
237.07706	0.4
263.11258	0.5
343.11911	2.4
391.13892	0.4
433.14917	0.5
469.20895	3.4
475.16516	0.3
535.18231	4.5
578.32776	0.3
647.89929	0.3
649.16858	0.6
649.27332	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.2
70.15593	0.9
71.01382	19.1
73.02930	4.8
83.01404	1.7
85.02947	5.2
89.02444	17.4
90.58859	1.2
99.04517	1.1
101.02430	15.9
101.59485	1.0
113.02473	13.6
114.61308	1.0
114.78221	1.0
119.03484	4.2
135.11826	8.4
150.03174	1.9
161.04558	5.2
161.09682	7.4
165.05513	8.2
176.04782	1.2
178.02698	1.2
179.10789	31.5
191.07208	1.5
193.05060	4.7
195.06642	2.5
205.08755	1.3
223.09746	12.0
235.06165	1.6
383.11115	1.6
389.12460	5.2
431.13324	1.4
469.20819	27.7
491.15094	1.3
538.75739	1.2
649.27271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80265	1.1
56.84011	0.9
59.01386	1.2
71.08765	0.9
73.04558	1.0
84.96972	1.1
97.19455	0.9
109.02943	1.4
112.21255	1.0
118.92343	1.0
122.35424	1.1
137.02437	41.8
140.48077	1.0
196.55342	1.2
223.03677	1.3
293.04437	1.9
307.06238	1.3
307.09613	1.6
321.07642	8.9
335.09244	7.1
336.10034	1.6
347.09238	2.0
349.11014	1.4
363.16336	2.0
389.13940	9.0
403.15622	9.9
419.15289	3.9
446.20746	2.4
457.20297	2.5
474.20584	5.3
515.28064	2.3
543.27631	89.8
553.34625	1.2
561.28772	9.8
649.30261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23143	0.9
59.01361	1.7
65.47131	1.0
96.86576	1.1
109.02923	1.6
116.92789	1.2
133.88618	1.0
137.02441	49.3
156.32710	1.1
182.95219	1.1
281.04706	1.8
293.04547	1.5
321.07712	8.2
335.09052	2.4
347.09280	8.2
389.13983	14.0
446.20291	1.1
457.20212	6.9
474.20523	4.2
475.21378	1.4
489.48950	1.3
515.27710	1.9
518.43073	1.2
543.27576	80.6
561.28333	8.0
637.34576	1.2
649.30090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
75.63191	0.8
90.86816	0.7
96.32623	0.9
109.02941	2.0
111.55410	0.8
111.79583	0.8
112.20266	0.8
115.68894	0.9
132.69777	0.8
137.02443	48.8
138.09718	0.8
152.99518	1.2
164.71092	0.9
207.02928	1.0
225.03964	1.2
280.46387	1.0
282.05624	1.1
293.04572	3.4
307.06076	1.2
307.09555	1.3
308.06995	1.3
309.11371	1.2
319.06088	1.2
321.07553	4.7
333.07794	1.3
335.09311	13.6
336.10342	1.0
361.10968	1.5
375.12393	1.0
387.12469	1.6
401.13727	3.3
405.13040	1.0
413.08759	0.9
415.15598	13.9
444.19733	1.1
446.20969	1.5
454.72723	1.2
459.18112	1.6
474.20386	5.9
485.23343	15.9
493.65405	0.9
499.28314	1.3
505.28751	0.9
515.28070	1.3
525.26520	4.6
528.24792	3.3
543.27618	72.6
561.28650	11.0
649.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81995	0.8
57.65399	0.8
59.01382	6.5
60.16492	0.9
71.01382	4.3
73.02932	1.9
81.03448	4.8
83.05048	4.4
85.02943	1.2
87.00862	1.5
89.02438	2.1
93.03452	3.3
101.02442	4.4
109.02936	2.2
111.04517	38.8
113.02418	4.1
127.04011	86.3
137.02429	7.4
140.29448	0.9
142.29514	0.9
151.00301	0.9
155.03497	61.2
199.02518	48.2
221.33130	1.0
283.06140	3.9
284.03287	7.4
287.22308	18.4
299.05618	28.2
431.26663	6.4
449.27640	100.0
649.18237	5.1
649.30927	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36310	1.4
59.01383	33.7
59.01656	2.6
71.01370	13.0
73.02947	2.7
80.63670	1.3
85.02937	2.9
87.00876	3.1
89.02440	22.4
94.98109	1.4
97.02944	6.7
101.02442	21.9
102.91413	1.7
113.02428	9.7
119.03522	3.1
125.02422	8.3
125.09733	1.9
143.03477	2.9
147.10429	1.5
161.04510	2.2
171.10199	2.0
179.05655	1.8
187.19954	1.5
235.08284	5.9
251.20187	100.0
253.09268	2.0
269.54456	1.5
305.08795	1.6
308.36914	1.4
397.13541	86.0
415.14627	24.9
421.59000	1.7
493.60919	1.8
649.33569	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01375	3.6
70.62872	0.5
71.01376	7.4
72.12028	0.4
73.02947	3.1
75.00877	0.6
85.02939	2.1
87.00876	14.0
89.02431	2.4
94.38767	0.5
99.00876	2.3
101.02436	8.8
103.02111	0.5
113.02445	4.6
136.41899	0.6
139.11293	27.0
159.02971	1.1
161.04549	9.8
180.36621	0.6
183.10277	22.7
193.05293	0.6
196.07401	2.7
201.11334	100.0
211.09785	1.1
269.40134	0.5
278.66510	0.5
297.54324	0.5
315.18192	9.9
372.43033	0.7
422.69861	0.6
443.27597	0.9
447.22409	46.4
462.87778	0.5
503.01181	0.5
587.21478	3.0
619.24048	1.9
649.31360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68685	0.5
55.99776	0.6
58.25502	0.6
69.72949	0.6
87.53438	0.6
89.36090	0.7
102.36492	0.7
134.03670	1.1
134.09618	0.8
135.04515	6.8
152.99509	0.7
161.02426	21.2
161.03654	1.2
163.04031	0.9
179.03491	15.8
414.23132	0.9
449.01410	0.8
515.42969	0.9
649.37567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.58368	2.3
71.01373	10.8
73.19859	2.2
89.02424	17.8
101.02425	4.8
119.03489	13.1
122.27154	2.9
173.72827	2.4
179.05588	9.7
649.42883	5.5
665.70740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01376	2.1
89.02430	3.1
89.13161	1.1
101.02467	1.4
116.92813	1.4
127.83174	1.4
130.20114	1.3
135.02998	1.1
140.89272	1.3
224.65601	1.2
393.73050	1.3
589.41284	1.7
633.18396	1.7
649.43005	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01373	2.9
75.69865	2.0
89.02450	2.4
108.70254	2.3
120.22566	2.2
143.36160	1.9
173.36444	2.0
189.61765	2.1
412.39676	2.3
589.40662	3.7
649.41260	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20974	0.5
55.24907	0.4
56.88433	0.4
78.36185	0.5
92.22509	0.6
123.06351	0.6
124.01649	1.3
125.02432	27.3
125.56944	0.5
149.99591	4.2
167.03502	0.6
168.00638	45.3
169.01422	4.5
313.05725	11.2
331.06741	100.0
497.88388	0.6
551.53687	0.6
650.15460	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05338	0.9
71.01355	1.1
79.54979	0.8
93.03445	7.6
111.04518	1.4
119.05020	34.7
121.26424	0.9
127.81969	0.8
137.02422	1.6
155.03523	5.2
158.88811	1.0
163.04013	100.0
173.04555	62.9
176.07260	1.0
191.05629	36.9
193.05043	1.2
201.17622	0.9
337.09344	74.7
391.92795	1.0
662.81921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94630	0.6
80.01215	0.6
92.23124	0.6
124.01653	2.8
125.02435	28.9
149.99577	3.8
167.03485	1.1
168.00635	47.1
169.01448	4.7
174.28658	0.7
211.02371	0.9
236.05989	0.6
313.05658	10.7
331.06744	100.0
568.75800	0.7
650.14978	4.4
650.24585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10505	0.5
63.82276	0.5
74.67697	0.6
75.37450	0.6
78.80407	0.6
93.02860	1.3
93.03448	33.5
99.11166	0.6
107.27817	0.7
137.02444	100.0
153.51105	0.6
205.08734	0.6
207.65488	0.7
209.07590	0.8
319.24722	0.6
359.14880	0.6
360.15631	0.7
650.27124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62941	0.7
55.83715	0.7
59.72095	0.7
62.83222	0.7
64.10843	0.8
93.03441	6.1
116.92893	1.0
119.65332	0.9
137.02469	15.7
143.39703	1.0
147.71780	0.9
153.03290	0.9
160.04005	0.8
198.74619	0.9
241.04065	1.0
250.04935	1.2
266.04559	1.7
280.06128	5.3
294.04068	8.4
308.05682	28.5
309.06406	15.6
314.49768	0.9
324.08795	100.0
368.07785	26.8
512.12231	1.3
625.97815	1.1
650.15253	16.6
650.25104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52373	0.6
71.01379	0.9
73.02936	0.7
85.02921	0.8
89.56889	0.5
92.22688	1.0
108.02164	23.3
109.02949	19.5
121.02945	0.8
141.82780	0.6
151.04031	1.0
152.01147	58.3
153.01938	34.1
153.02856	0.6
157.78325	0.6
163.04010	1.4
165.01920	1.3
174.41444	0.6
213.36443	0.8
315.07260	100.0
338.77783	0.6
349.80377	0.7
453.93747	0.7
615.74243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16774	0.7
54.45703	0.8
71.01369	1.5
77.53098	0.9
85.02957	1.2
85.99170	0.8
92.56479	0.9
99.90331	0.8
101.02427	1.2
102.07542	1.0
108.02177	19.8
109.02937	14.8
112.48698	0.8
113.02399	1.9
123.31762	0.8
133.02943	0.9
151.04030	1.4
152.01155	52.1
153.01933	28.7
165.01933	1.9
167.13655	0.8
246.61969	1.0
289.52960	0.9
299.25806	1.1
315.07263	100.0
396.95929	0.9
435.28201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30682	0.5
56.06894	0.4
60.16315	0.5
61.17956	0.5
65.05134	0.5
92.23067	0.8
101.02448	2.3
128.03532	100.0
154.05074	0.9
156.06456	0.5
165.83276	0.6
168.06670	0.9
168.23834	0.6
170.04613	6.6
191.05586	1.0
192.06754	0.8
197.04608	1.3
200.05659	52.2
212.05727	2.4
230.06720	3.4
254.06709	0.6
272.07736	1.2
286.66061	0.7
290.08853	62.1
306.71597	0.6
359.09753	1.3
359.76889	0.7
502.84308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98109	0.5
59.64947	0.6
69.80917	0.7
96.96951	3.2
101.02440	4.1
128.03543	100.0
168.06601	1.4
170.04611	7.9
179.81166	0.6
191.05618	1.2
197.04581	1.2
200.05670	54.6
212.05623	3.0
230.06731	3.8
236.05721	1.2
254.06711	1.1
286.92941	0.7
289.18744	0.7
290.08856	64.5
339.34048	0.8
359.09933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09772	0.6
59.01361	1.0
61.98830	100.0
68.45819	0.5
74.86488	0.5
139.12991	0.6
144.86736	0.5
147.57175	0.5
164.04781	3.6
180.03105	0.5
185.22372	0.5
208.25116	0.6
223.06122	3.1
446.79312	0.6
458.23969	0.6
529.42444	0.6
587.23193	3.6
650.31824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03718	1.6
60.04375	1.7
60.50264	1.6
61.98832	100.0
67.63538	2.1
78.32359	1.5
92.22555	2.3
92.23056	3.0
107.55820	2.4
112.33031	1.8
117.97586	1.7
135.62999	1.6
183.90268	2.2
201.55792	1.8
262.24774	2.1
293.46933	2.0
345.69370	1.9
523.42804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63510	0.8
61.98832	100.0
79.20982	0.8
84.86418	1.0
85.04027	0.8
158.70435	1.0
321.77759	1.1
343.63644	1.0
384.76163	1.1
448.92966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76485	0.7
59.01389	1.1
59.73140	0.6
61.98833	100.0
99.52753	0.8
109.76041	0.7
109.86516	0.7
110.59737	0.8
137.43423	0.9
196.75534	0.9
219.54395	0.9
540.68225	0.9
556.54248	0.9
560.77325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43244	1.4
51.36843	1.2
57.97594	1.5
60.88028	1.3
61.98833	100.0
69.27940	1.4
71.08202	1.5
90.93043	1.6
148.63065	1.6
416.25607	1.8
572.46661	3.7
590.48181	3.5
634.32648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07771	1.1
54.98829	0.8
75.00864	8.3
78.92370	0.9
88.19379	1.1
89.02416	1.7
93.03432	0.9
108.14725	0.8
117.01981	1.1
135.03000	100.0
135.04605	4.4
161.02425	7.5
179.03496	9.7
181.87834	1.1
191.05624	93.1
241.43369	1.1
297.06177	46.0
353.08786	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94625	0.8
55.68519	0.8
56.01606	0.7
59.01389	5.3
66.53967	0.9
71.01385	4.4
75.00880	8.2
89.02428	4.5
93.03432	4.4
101.02418	1.6
113.02426	2.3
119.05027	1.8
135.03003	100.0
135.04590	6.0
143.04993	1.2
145.02922	4.7
150.71086	1.1
161.02443	6.3
163.04033	4.7
179.03529	7.1
191.05634	99.0
211.07669	15.2
237.09285	2.0
239.10829	2.0
265.08707	4.1
297.06210	45.6
310.69205	1.0
311.21750	1.1
325.09369	2.1
327.08801	10.0
353.08813	27.0
489.14227	4.6
591.17096	1.2
595.97455	1.3
651.20203	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.1
71.01361	7.6
72.99300	82.9
73.02924	2.8
80.85761	1.2
85.02911	1.3
87.00791	1.3
89.02407	2.3
92.23132	2.3
101.02403	6.9
105.09696	1.2
107.04960	1.3
109.02957	2.3
113.02396	6.6
123.04492	26.9
135.04521	43.8
143.76973	1.4
149.06102	1.6
151.03987	2.5
162.98587	1.4
179.03494	73.3
190.02606	1.6
197.04559	52.2
197.49565	1.3
205.04967	1.6
207.06554	6.6
217.82005	1.6
221.06163	1.6
225.23238	1.3
280.06091	1.5
327.21799	1.5
357.23776	1.3
371.01297	1.3
443.15585	7.6
563.15576	3.2
607.27466	13.3
651.17401	100.0
651.32330	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50368	0.3
59.01377	0.5
59.34035	0.3
71.01360	0.4
78.95873	0.6
79.95728	0.8
90.52592	0.3
96.63625	0.3
96.96004	100.0
113.02383	0.4
150.03227	2.3
151.04050	0.4
161.02441	0.6
163.67947	0.4
165.05540	4.4
175.04008	3.3
176.04778	0.7
180.67699	0.4
184.25520	0.4
191.07204	2.0
193.05066	4.0
195.06702	0.7
230.26129	0.4
235.06036	3.6
265.07291	0.4
389.12225	0.5
401.01794	0.4
448.50055	0.4
455.15659	2.3
491.15631	0.5
651.22729	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.3
68.23842	1.2
71.01376	15.8
72.98921	2.4
72.99300	23.7
78.20602	1.2
83.35671	1.2
85.02956	1.8
89.02436	32.8
101.02449	9.8
111.00870	82.0
113.02437	7.5
119.03498	9.7
123.04550	2.2
129.01945	1.7
135.04532	5.3
161.04543	2.4
167.44400	1.3
179.03499	31.7
179.05611	25.0
181.69946	1.5
192.71596	1.3
197.04568	100.0
231.05022	1.4
291.07199	38.4
346.48816	1.4
359.09891	78.0
443.49539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42724	4.0
53.83189	3.5
54.20014	3.8
55.63896	4.5
69.87263	4.3
71.01364	10.1
72.99306	21.3
85.15926	4.3
104.09463	4.6
104.65619	5.5
107.56290	5.1
195.75937	5.5
271.42099	5.1
283.06174	26.6
298.08508	12.3
313.10620	21.0
354.25583	5.5
651.19293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79970	0.5
65.61629	0.4
66.67112	0.4
69.51365	0.5
72.82597	0.4
76.26116	0.4
77.66380	0.4
88.10179	0.4
223.97415	0.5
268.01669	0.4
268.03790	20.6
283.06143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67957	0.3
55.26822	0.3
56.88832	0.3
60.36551	0.3
71.01364	0.6
82.09765	0.3
85.02940	0.4
92.22498	0.5
119.05022	47.4
133.01437	1.2
152.35701	0.4
163.04019	100.0
165.05566	1.3
207.06691	0.5
221.13991	0.3
265.86407	0.3
286.94025	0.3
293.16034	0.4
489.15872	0.8
651.21814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54369	0.3
59.01412	0.5
65.64607	0.4
78.38476	0.4
110.03366	0.4
119.05019	50.4
163.04015	100.0
178.98233	0.5
181.05070	2.5
195.06619	0.5
206.18230	0.4
244.80124	0.6
266.11826	0.5
279.23361	0.6
325.09338	27.8
392.20972	0.4
398.01270	0.5
622.72815	0.5
646.59943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72396	0.3
52.76087	0.2
54.75262	0.3
58.73251	0.3
59.01376	0.8
65.70863	0.3
79.74851	0.3
81.73808	0.4
101.02404	0.5
111.39813	0.3
119.05017	48.2
145.02965	0.6
148.51254	0.4
163.04012	100.0
180.21652	0.4
211.07632	0.8
270.91708	0.4
325.09323	28.5
361.84369	0.5
407.27435	0.4
578.04028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67957	0.3
55.26822	0.3
56.88832	0.3
60.36551	0.3
71.01364	0.6
82.09765	0.3
85.02940	0.4
92.22498	0.5
119.05022	47.4
133.01437	1.2
152.35701	0.4
163.04019	100.0
165.05566	1.3
207.06691	0.5
221.13991	0.3
265.86407	0.3
286.94025	0.3
293.16034	0.4
489.15872	0.8
651.21814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.35305	0.9
66.39370	1.0
67.38142	1.0
103.00366	42.8
103.03996	6.3
119.05009	42.5
133.05074	65.0
154.15224	1.2
163.02641	2.8
163.04013	79.2
175.06119	14.3
219.05153	5.6
269.22964	1.3
321.90280	1.2
325.09326	19.2
361.52805	1.2
365.06577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33690	1.4
59.01379	2.9
71.01385	9.9
80.42023	1.6
101.02453	2.4
113.02379	2.1
121.02946	6.5
121.78904	1.6
134.03735	42.2
135.04515	9.9
137.02434	2.4
149.02397	9.5
149.06056	10.4
150.03235	20.7
151.03940	2.1
160.01653	27.2
165.05573	22.1
175.04002	100.0
193.05103	28.1
246.30780	1.8
250.06320	2.9
267.06631	9.4
282.08893	23.6
341.10309	32.8
455.15640	62.9
568.77106	1.9
591.23322	1.9
603.20990	47.1
651.22900	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46369	2.9
59.01385	41.6
64.82469	2.8
66.76241	3.0
71.01380	21.6
85.02950	6.7
89.02441	20.7
91.77462	3.1
92.23069	3.3
96.96011	20.0
101.02435	17.7
111.31538	3.2
113.02450	8.0
118.61996	4.1
119.03509	3.6
127.04003	3.3
131.07120	12.8
134.03746	35.1
137.02467	6.7
145.02937	3.1
149.06087	17.3
150.03217	44.0
151.04001	6.6
160.01721	7.5
161.02431	21.9
165.05563	100.0
175.03969	69.6
176.04733	17.3
178.02734	12.1
179.03511	4.0
179.10678	3.9
180.04198	4.6
181.12383	15.1
191.05626	17.6
191.07162	54.6
193.05057	86.5
195.06622	26.9
204.04297	14.7
207.06749	4.8
219.06604	21.2
220.03838	3.9
225.11317	5.9
235.06133	69.5
265.06989	6.4
295.08371	5.1
389.12479	14.0
431.13391	6.1
455.15613	66.8
471.22058	15.5
491.15738	5.6
633.22528	6.0
651.21655	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
60.96493	0.7
61.98827	1.1
71.01373	5.4
73.02936	1.2
82.85180	0.6
85.02958	1.6
89.02448	5.9
99.00883	5.1
101.02417	1.6
110.18952	0.6
113.02425	3.8
119.03471	0.8
121.02951	1.0
123.37592	0.6
140.92558	0.7
147.04556	6.8
149.02440	36.4
164.04797	96.4
175.00325	0.7
179.05730	0.9
179.07133	8.8
190.02762	11.6
205.05090	11.6
207.06525	1.1
208.03810	5.3
218.22218	0.7
223.06137	100.0
296.99686	0.9
327.21893	0.9
427.16321	1.5
443.15958	0.8
525.97583	0.8
594.02246	1.0
651.23071	36.2
651.32941	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14098	0.6
56.88624	0.7
57.38852	0.6
59.01375	1.4
69.85586	0.9
71.01368	1.8
73.02928	1.0
81.03464	1.1
84.07092	0.8
86.50636	0.8
96.33099	0.8
99.04543	1.0
101.02410	1.1
113.02410	0.8
121.02893	1.0
134.03757	17.9
149.02448	3.7
149.06084	4.7
150.03204	17.5
160.01669	26.2
164.04764	1.1
165.05559	32.5
175.04007	100.0
193.05070	28.6
195.06644	4.5
205.06625	0.8
235.07811	1.2
250.06306	1.4
254.09401	1.3
282.09082	7.9
331.34363	1.0
341.10330	8.6
381.15884	0.8
402.10284	1.0
455.15671	72.7
507.92499	0.9
603.20898	3.8
651.23108	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53293	0.4
56.45945	0.4
57.03461	0.5
59.01382	2.0
71.01382	0.7
81.53331	0.4
85.06577	0.6
87.00862	2.9
109.06575	0.5
111.04544	1.0
123.04504	0.6
145.19862	0.5
149.06059	5.9
153.05574	55.1
160.51117	0.4
167.07173	0.5
177.05574	4.5
180.04298	2.5
188.37431	0.5
195.06616	2.6
205.04951	0.9
214.13669	0.5
236.19437	0.5
241.12372	12.8
267.10306	2.3
269.11966	1.0
281.11880	3.0
283.09677	0.7
284.10657	1.2
285.11346	100.0
297.09741	2.3
299.12973	0.8
327.12378	4.4
447.16672	36.7
447.96014	0.6
475.77872	0.6
489.17746	33.6
651.22467	3.1
651.33203	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2305
Annotation	Isomartynoside
Peak:m/z	Relative Intensity
53.62906	1.5
55.65678	1.3
55.76053	1.5
59.01377	6.9
71.01383	7.2
94.51202	1.7
96.95995	2.4
101.02419	6.7
115.92275	1.9
117.05566	2.0
134.03714	9.0
149.02499	2.4
149.06059	10.7
150.03200	21.3
151.04012	8.4
158.70996	1.7
160.01660	6.6
161.02475	18.9
164.04811	2.6
165.05573	61.5
166.02710	2.2
175.03986	36.8
176.04829	10.0
178.02705	3.0
180.04294	3.0
191.07152	36.3
193.05080	49.7
195.06621	13.9
207.06642	8.1
235.06119	40.8
237.61400	2.1
282.09018	7.5
285.11316	19.5
295.08414	2.6
341.10422	8.0
355.11746	2.8
383.11530	6.3
389.12372	11.6
431.13382	8.4
455.15512	19.3
491.15744	9.6
493.22699	6.9
509.91888	2.1
651.23065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90525	2.2
59.01382	100.0
60.55530	1.8
61.18137	1.7
82.04603	1.5
82.73014	2.0
87.00870	36.8
89.02454	7.6
96.95979	9.8
107.10129	1.7
113.02340	1.9
144.63805	1.8
323.09259	10.3
324.09988	2.1
338.11578	2.7
339.08722	33.9
354.11203	11.1
369.13428	49.3
388.41998	2.0
505.22989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.37930	0.5
60.39608	0.5
71.01369	0.8
73.08635	0.5
87.00865	100.0
89.02436	1.1
132.30692	0.7
173.04521	0.6
418.37515	0.6
651.32837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	7.0
61.37709	1.0
66.01124	0.9
71.01353	2.2
88.35796	1.1
88.37531	1.0
89.02395	5.2
101.02408	4.1
113.02406	1.6
119.01321	1.5
130.24200	1.0
147.04500	1.6
149.02333	7.1
161.02391	1.5
163.03873	1.8
164.04808	14.6
165.05525	1.4
165.98103	1.2
175.00301	9.3
176.04686	2.6
179.03427	2.6
179.07138	1.9
181.12244	4.9
190.02734	73.8
191.03374	1.4
191.07129	1.8
193.05005	1.6
194.05840	18.1
205.05072	78.5
207.06628	1.9
209.04463	2.0
209.08208	16.0
220.72679	1.1
223.05994	7.1
264.62711	1.0
336.46609	1.3
343.45642	1.3
471.22031	4.6
528.15991	1.2
531.51025	1.4
633.65649	1.2
651.22528	100.0
657.68933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49815	0.8
59.01381	52.6
67.00388	0.9
71.01013	2.0
71.01379	38.7
72.99281	1.0
73.02946	15.0
85.02970	1.8
89.02440	100.0
90.56286	1.0
94.98097	1.8
99.00870	33.2
101.02437	26.7
113.02441	6.5
125.02409	4.1
128.29373	1.1
131.03476	7.7
131.89590	1.2
149.03445	1.8
149.04550	28.5
161.04565	2.3
191.05563	12.0
221.06636	5.1
251.07724	5.0
283.06094	1.2
293.08670	1.7
311.09708	4.2
325.10846	1.3
401.32181	1.1
526.25488	1.2
535.31793	1.9
651.23029	92.3
651.31415	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65325	1.1
52.52609	1.1
57.03450	1.9
59.01384	20.1
67.91618	1.6
69.03449	1.1
71.01388	17.1
72.99311	20.7
73.02960	2.0
76.01604	1.2
85.02951	10.8
87.00875	2.3
89.02449	16.0
90.71178	1.4
95.01357	2.0
96.96020	1.9
97.02978	1.6
101.02430	9.4
111.00877	2.3
113.02436	15.2
119.03484	5.5
127.11310	5.8
129.16335	1.2
131.05016	2.8
132.79071	1.1
133.06618	5.3
134.03783	1.9
137.02371	1.8
137.06073	1.5
147.04584	1.5
149.06050	10.0
152.04807	5.6
163.07697	1.4
167.07135	11.5
187.31169	1.3
190.02692	1.7
203.12906	19.1
207.06639	79.8
237.07651	3.0
243.15909	2.2
297.19913	1.3
327.21884	3.0
329.12494	10.7
413.14951	1.8
443.15652	100.0
444.28830	1.6
445.30029	4.3
497.98029	1.6
651.23694	16.3
651.32825	17.5
655.33911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39466	0.4
59.01381	4.2
71.01374	2.6
77.95830	0.5
85.02940	3.6
87.00879	0.8
89.02448	0.9
93.03450	0.8
96.96010	9.7
101.02431	2.1
101.45786	0.4
111.04528	1.0
113.02461	0.8
119.03527	0.6
121.02903	0.5
127.04025	1.1
135.04498	0.5
150.03194	0.6
157.07365	0.5
161.04660	0.5
165.05571	2.0
175.04030	0.7
181.12317	2.8
191.05637	100.0
193.05013	2.0
205.05141	0.5
225.11459	0.7
231.05116	2.5
297.11874	0.6
338.55280	0.5
651.29169	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2667
Annotation	Bis(beta-D-glucosyl) crocetin
Peak:m/z	Relative Intensity
59.01376	30.6
60.18186	1.4
69.02538	2.1
71.01378	9.5
73.02945	7.0
85.02929	2.5
89.02441	3.1
99.00890	2.2
101.02425	11.6
105.01954	1.7
110.78948	1.8
113.02415	8.6
124.04362	1.7
136.93799	2.4
150.17973	1.7
152.49596	1.6
159.02910	1.6
161.04570	7.5
161.09735	3.6
161.13400	2.8
163.11182	2.6
187.11281	6.7
189.09306	2.9
207.10260	2.3
223.13380	10.9
268.03851	10.6
269.10300	7.1
283.06143	57.2
401.14359	7.1
651.26691	100.0
651.37579	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36459	1.2
59.01378	38.7
61.98813	1.9
70.85633	1.4
71.01377	21.6
73.02949	11.0
76.73193	1.5
78.95893	2.4
83.01384	2.6
85.02943	6.2
87.00871	5.9
89.02441	11.6
96.95985	1.5
97.85540	1.5
101.02425	20.7
113.02436	8.5
119.03444	3.2
152.99516	2.2
188.08386	6.3
197.04579	1.9
216.11571	2.4
238.08354	1.8
256.14630	1.7
271.17053	46.7
283.17133	1.7
323.20200	6.5
338.80099	1.9
341.21295	7.9
355.52762	1.5
359.22272	25.1
445.29532	2.2
503.26706	13.5
521.27515	14.1
563.28784	15.9
607.27600	100.0
651.32294	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72055	1.0
55.30927	1.0
55.43148	1.0
59.01371	7.0
59.63921	0.8
60.73702	1.2
61.61969	1.0
71.01377	6.9
84.95252	1.1
89.02425	2.3
94.73458	1.1
96.95995	2.3
101.02419	6.6
108.02148	1.1
113.02456	4.9
119.03550	1.6
121.02901	2.0
122.03734	2.7
123.04520	2.3
133.02957	2.7
134.03751	14.5
135.04510	8.2
137.02426	5.1
139.04002	1.7
147.04483	1.5
147.25722	1.6
149.02357	2.4
149.06071	9.0
150.03214	25.4
151.03993	10.8
160.01636	8.4
161.02426	23.8
164.04791	2.8
165.05560	64.8
165.06952	2.2
175.02589	2.5
175.03996	41.5
176.04776	12.9
178.02657	4.6
179.03479	8.0
179.07164	2.8
180.04262	5.4
181.05075	9.6
181.12303	1.5
191.07155	40.1
192.04166	1.9
193.05066	56.8
195.06635	26.4
205.05028	2.6
207.06583	9.3
209.08253	2.6
220.03758	1.4
221.08141	1.3
235.06117	50.7
250.06422	2.1
265.07138	2.5
282.08960	5.2
295.08270	6.2
297.08182	1.4
308.81067	1.2
331.11862	5.1
341.10324	12.1
355.11853	1.6
361.13013	13.7
366.28543	1.5
376.15289	28.9
383.11383	5.4
389.12485	13.0
391.17722	85.0
407.71118	1.6
431.13589	7.7
431.37933	1.2
454.14948	2.2
455.15668	18.9
461.14755	1.5
469.16907	1.9
471.22812	1.5
491.15570	11.6
493.22775	1.3
553.23053	9.6
633.22253	1.8
651.22925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13703	1.5
51.34990	1.6
51.60664	1.5
57.03445	3.3
59.01102	3.1
59.01380	55.0
61.98842	4.5
71.01383	15.6
73.02928	4.3
79.60807	2.1
82.09263	2.0
85.02938	3.0
87.00867	4.4
89.02425	6.8
99.00858	2.3
101.02430	17.0
113.02449	9.1
135.04573	2.6
149.02379	2.5
161.04573	7.9
161.09740	3.5
163.11357	2.4
164.04796	43.0
171.10172	2.1
175.00375	1.9
179.07088	7.0
187.11270	8.4
190.02715	1.9
205.05119	8.4
207.10323	3.2
223.06108	52.0
223.13397	4.4
235.17207	3.2
249.11346	3.4
268.03885	17.8
269.10190	3.3
283.03119	3.9
283.06155	100.0
327.21667	4.0
370.00693	2.3
397.13644	2.3
401.14572	7.8
471.42062	2.7
615.26697	42.3
651.26398	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69809	0.9
59.01105	1.9
59.01385	39.6
64.59857	1.0
71.01378	18.5
72.99303	1.1
73.02919	1.9
77.14732	1.0
84.73020	1.1
85.02940	4.7
87.00859	1.1
89.02436	18.9
97.26504	1.2
98.35658	1.0
101.02430	15.0
113.02451	12.0
119.03452	5.9
120.74053	1.2
143.03473	1.2
161.04515	2.4
163.11249	2.8
181.05066	1.3
181.12343	42.6
181.13966	1.6
182.05748	1.2
183.06590	2.0
205.05002	1.6
225.11369	12.8
355.84644	1.3
417.23471	1.2
463.21039	1.2
471.22403	31.7
493.23120	5.1
651.28723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69649	0.4
55.78732	0.4
57.03439	0.4
59.01381	31.5
71.01377	17.8
71.83868	0.5
73.02930	3.4
83.01374	0.6
85.02921	4.2
89.02436	16.5
94.85883	0.4
95.01379	1.0
98.00591	0.5
99.00875	0.5
99.04535	0.5
101.02441	12.3
101.06073	1.0
112.31186	0.4
113.02441	8.9
119.03481	4.1
134.47722	0.5
137.02455	2.6
159.03041	0.6
161.04532	2.3
163.11278	4.5
165.05551	1.1
169.13606	0.5
181.12352	45.2
207.10292	2.4
225.11320	18.7
251.03615	0.5
394.89050	0.4
471.22366	30.9
613.91528	0.5
651.28870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20567	0.6
50.22423	0.6
51.05774	0.6
51.06258	0.6
52.16100	0.7
53.49449	0.6
56.01043	0.9
56.83033	0.7
57.03440	0.7
59.01102	1.5
59.01383	31.3
59.34938	0.7
62.71826	0.8
65.73078	0.7
71.01378	16.4
73.02952	3.0
78.81834	0.7
85.02941	5.6
89.02438	15.5
93.03467	1.2
95.01376	1.2
99.04460	1.3
101.02452	12.0
113.02441	13.2
119.03507	4.5
134.03749	8.7
137.02440	7.1
149.06036	1.6
161.04552	1.6
163.11273	4.8
167.10799	4.3
175.03999	2.0
181.12352	43.4
182.45816	0.9
193.05096	13.4
202.50630	0.8
207.10223	1.3
213.90034	0.9
225.11304	14.4
229.10773	5.4
301.54971	0.8
422.22485	1.0
455.15833	11.1
471.22375	29.6
549.51221	1.1
553.19244	1.4
633.22003	1.2
651.28894	100.0
658.96857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20263	1.6
59.01383	31.8
71.01376	26.2
73.02934	4.2
83.01385	2.7
85.02948	8.3
87.00883	1.8
88.53934	1.8
89.02435	27.4
91.17804	1.8
101.02424	23.3
111.04540	2.9
113.02438	11.3
119.03535	3.3
129.57614	1.9
134.03764	10.0
137.02461	2.7
144.93312	2.3
152.02698	2.0
159.76735	2.2
163.11259	4.0
175.04015	9.0
181.12352	50.8
191.05698	2.8
193.05115	18.6
225.11336	17.2
286.23163	2.1
455.15576	15.9
471.22372	22.4
553.19464	3.0
651.28912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69649	0.4
55.78732	0.4
57.03439	0.4
59.01381	31.5
71.01377	17.8
71.83868	0.5
73.02930	3.4
83.01374	0.6
85.02921	4.2
89.02436	16.5
94.85883	0.4
95.01379	1.0
98.00591	0.5
99.00875	0.5
99.04535	0.5
101.02441	12.3
101.06073	1.0
112.31186	0.4
113.02441	8.9
119.03481	4.1
134.47722	0.5
137.02455	2.6
159.03041	0.6
161.04532	2.3
163.11278	4.5
165.05551	1.1
169.13606	0.5
181.12352	45.2
207.10292	2.4
225.11320	18.7
251.03615	0.5
394.89050	0.4
471.22366	30.9
613.91528	0.5
651.28870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3185
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
59.01368	4.5
78.95891	1.4
88.41640	0.7
89.56472	0.9
96.86586	0.8
116.23676	0.9
137.16177	0.8
152.84647	0.8
152.99509	1.2
172.79675	0.8
201.09253	5.5
202.02757	3.6
213.66870	1.0
217.08768	1.1
219.10234	5.1
245.08220	4.0
255.23232	1.8
258.08917	1.6
263.09311	1.8
279.23221	1.7
279.93967	0.9
305.15521	1.2
306.09015	1.5
307.13373	9.0
320.35001	1.0
321.07520	1.5
330.21646	0.9
335.09253	3.2
341.99997	1.1
349.14478	44.2
387.22061	1.1
471.29495	1.3
517.26062	6.4
533.25946	1.7
535.27222	7.0
591.29742	7.8
649.30396	2.0
651.31818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38764	0.6
59.01384	9.2
62.31233	0.8
64.89310	0.9
69.03488	0.7
71.01379	11.5
72.99297	1.2
73.02928	1.3
85.02943	4.4
87.00883	1.3
89.02441	7.6
96.95995	3.6
97.02963	1.5
97.06568	1.5
99.04508	8.0
101.02421	7.1
105.01951	0.7
111.04522	1.1
113.02415	7.7
125.02428	4.3
155.10789	1.1
160.30864	1.0
161.04597	0.9
161.61804	0.8
171.10254	16.4
177.79866	0.7
179.10767	4.7
183.13873	1.4
197.11771	1.5
202.00954	0.8
209.11732	1.3
211.13405	11.5
223.13495	1.1
229.14458	15.6
235.13417	1.1
239.13055	1.2
253.14537	3.2
262.34787	0.8
268.03650	1.1
283.06140	4.6
291.19659	3.7
291.95175	0.8
327.21811	44.2
429.24707	0.8
489.27182	5.1
651.32483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38764	0.6
59.01384	9.2
62.31233	0.8
64.89310	0.9
69.03488	0.7
71.01379	11.5
72.99297	1.2
73.02928	1.3
85.02943	4.4
87.00883	1.3
89.02441	7.6
96.95995	3.6
97.02963	1.5
97.06568	1.5
99.04508	8.0
101.02421	7.1
105.01951	0.7
111.04522	1.1
113.02415	7.7
125.02428	4.3
155.10789	1.1
160.30864	1.0
161.04597	0.9
161.61804	0.8
171.10254	16.4
177.79866	0.7
179.10767	4.7
183.13873	1.4
197.11771	1.5
202.00954	0.8
209.11732	1.3
211.13405	11.5
223.13495	1.1
229.14458	15.6
235.13417	1.1
239.13055	1.2
253.14537	3.2
262.34787	0.8
268.03650	1.1
283.06140	4.6
291.19659	3.7
291.95175	0.8
327.21811	44.2
429.24707	0.8
489.27182	5.1
651.32483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.82722	0.7
65.49496	0.7
71.01381	10.4
75.05008	0.7
84.13862	0.8
85.02906	1.1
88.04379	0.7
89.02436	14.1
96.88214	0.8
97.56648	0.8
99.49379	0.8
101.02430	5.5
113.02458	3.6
119.03536	5.9
143.03494	0.7
157.19397	0.9
161.04535	3.1
169.08664	1.3
179.05576	7.3
251.08327	0.9
268.03784	3.6
283.06180	9.8
493.28073	12.4
582.82922	0.8
614.21332	0.9
651.33868	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10574	0.7
59.01384	21.3
65.01763	0.7
71.01379	12.3
73.02927	1.6
76.67836	0.7
78.95904	44.5
83.01380	1.4
85.02948	4.3
89.02445	8.3
96.96955	1.9
101.02449	12.3
113.02443	6.7
113.20203	0.9
119.03493	3.5
125.09723	5.8
133.09741	0.9
152.99603	11.8
155.10742	1.2
171.10207	7.9
187.09782	11.7
201.11386	1.1
209.11861	4.3
274.15854	4.9
299.20108	1.0
349.54672	0.9
357.24405	4.8
358.21347	1.3
369.24237	1.1
372.23013	1.3
374.24469	1.0
376.22607	2.1
385.36108	0.9
387.25269	1.9
427.28592	8.9
428.39658	0.9
429.64932	1.0
445.29703	9.2
520.26959	4.2
538.28235	3.6
607.35132	10.5
622.28711	1.0
651.33374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3399
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.41589	2.1
59.01385	20.8
68.44859	2.2
71.01388	11.3
73.02956	3.1
74.26534	2.0
78.02328	2.5
78.95905	16.3
84.04070	2.8
85.02976	3.8
89.02421	9.3
101.02428	14.3
113.02444	6.1
135.65843	2.3
152.99556	10.0
185.11842	2.9
187.09695	3.3
252.01665	3.1
274.15848	3.5
387.25363	3.9
427.28592	11.9
445.29544	13.2
538.28394	4.4
550.54224	2.8
607.35132	14.5
651.33948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36247	0.9
59.01380	6.5
69.94791	0.9
69.97776	0.9
71.01373	5.5
85.02922	1.3
87.01649	0.9
87.04510	2.3
89.02450	2.3
95.01335	1.0
96.95971	1.0
101.02441	2.5
113.97610	1.0
135.04500	3.8
135.45209	1.1
149.06071	6.1
159.04570	1.4
160.05315	1.5
161.06117	1.9
188.08386	1.3
189.09306	1.9
197.11821	1.6
202.09998	17.6
203.10924	1.5
204.11618	2.1
205.43713	1.1
216.11325	1.1
217.12346	18.6
254.13174	2.6
256.14786	2.1
263.18036	1.3
271.17096	1.4
272.14249	7.3
272.17627	1.2
274.15765	16.6
287.16586	6.2
287.20059	2.4
288.17337	1.9
290.15280	6.0
292.16806	22.7
300.17462	1.9
302.18973	2.5
318.18350	2.3
320.19928	4.9
339.23364	2.5
342.22211	1.3
357.24405	16.0
360.23074	8.8
375.25159	1.8
409.27429	1.3
427.28760	5.1
444.28809	19.7
445.29623	51.0
613.97949	1.1
651.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
71.01389	1.5
75.00868	6.7
81.76962	0.8
85.02951	1.4
87.04504	2.0
89.02412	0.9
96.54287	0.8
101.02456	1.1
113.02439	1.8
121.06680	1.0
124.95164	0.9
135.04543	1.9
136.05299	1.3
149.06041	7.4
159.04506	1.6
160.05290	1.5
161.06136	2.2
173.06100	1.3
175.07773	1.1
186.06874	1.1
189.09123	1.3
201.09074	1.1
202.09999	18.6
204.11560	4.8
216.11711	1.0
217.12331	15.0
218.13084	1.0
219.13927	4.2
230.12965	1.4
254.13155	2.1
256.14703	1.4
259.13306	1.0
272.14343	9.5
272.17102	1.2
274.15839	17.3
287.16583	8.8
287.20200	3.5
288.17136	1.6
289.18213	4.1
290.15353	6.8
292.16916	23.6
300.17426	2.0
302.18912	1.8
306.18454	1.8
318.18314	2.2
320.19986	2.0
339.23340	4.7
342.21786	1.1
357.24353	21.2
359.22400	1.2
360.23160	12.0
375.25467	4.2
427.28522	4.1
444.28851	22.8
445.29675	49.8
497.10580	1.0
651.33978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20093	1.2
59.01384	100.0
61.98826	6.1
71.01379	11.5
71.21069	1.4
89.02435	13.9
101.02445	7.3
101.66822	1.4
113.02438	3.6
119.03463	6.5
163.04018	2.4
179.05611	10.7
182.23950	1.5
193.66528	1.4
199.78783	1.5
235.16904	2.3
253.18117	2.5
268.03903	13.2
283.06116	57.1
415.14825	1.7
493.28259	13.9
582.86853	1.9
606.46149	2.4
651.35217	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29889	1.1
52.39813	1.0
59.01363	2.8
63.10715	1.1
78.95898	21.1
85.69910	1.4
91.05919	1.2
97.06562	2.2
101.16702	1.2
120.61263	1.3
122.78269	1.6
125.08837	2.2
125.09722	56.5
131.04625	2.1
137.67982	1.2
152.99593	64.0
155.92668	1.4
169.08707	2.1
171.00600	6.1
176.92957	1.4
187.09767	100.0
227.03207	2.9
242.07150	1.5
268.51828	1.5
275.20560	1.5
293.21097	1.6
397.12814	3.1
415.13647	14.7
651.35211	98.3
678.55756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42337	10.7
55.42683	9.2
56.52213	11.8
61.82505	11.3
63.01145	11.0
64.64929	9.8
65.56240	10.2
67.01895	11.1
83.96426	11.6
89.59878	12.0
125.95752	11.8
156.54080	12.4
255.23323	17.6
262.47995	13.3
265.95139	13.1
359.89017	13.6
651.34747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.4
67.60534	1.3
67.62967	1.2
71.01379	17.5
71.93774	1.3
73.02924	2.2
78.95925	1.5
83.01373	2.0
85.02927	2.5
87.00864	3.1
89.02447	21.4
97.02939	2.9
101.02436	23.3
113.02419	9.3
119.03476	6.1
125.02427	9.1
152.99568	1.8
161.04578	2.1
195.94922	1.6
235.08284	8.8
253.21748	100.0
264.93811	1.7
280.74640	1.5
397.13541	78.5
415.14502	21.7
651.36066	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44723	0.3
54.60843	0.4
54.86877	0.4
55.24060	0.4
56.27301	0.3
58.62508	0.3
59.01370	3.8
64.94563	0.4
71.01380	3.9
73.02938	1.0
74.96873	0.4
77.11639	0.4
85.02935	0.8
89.02451	4.0
99.00846	1.7
101.02431	4.5
113.02450	2.4
115.03990	2.2
119.03516	1.0
125.09698	0.7
127.04063	0.5
127.11307	1.0
130.08875	0.4
131.03519	0.6
132.66727	0.4
155.14301	0.5
159.02927	0.7
161.04562	1.0
191.05589	0.7
197.11806	2.7
209.11850	0.6
211.13452	0.8
220.47536	0.5
229.14458	100.0
241.10812	3.3
247.66628	0.4
283.06192	0.5
289.16647	2.2
302.70139	0.5
327.21539	0.5
374.90698	0.5
399.36118	0.5
421.20886	16.5
535.31732	0.7
651.30231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	14.1
69.30315	1.3
71.01376	16.7
72.52150	1.1
73.02940	5.1
78.95891	1.6
83.01382	2.9
85.02932	9.2
88.56558	1.3
88.87549	1.2
89.02441	6.1
99.00864	2.5
101.02441	15.4
109.06584	19.8
113.02435	8.1
119.03454	1.6
119.08572	1.3
129.86093	1.2
130.42267	1.3
183.51184	1.3
185.25737	1.1
216.67519	1.3
220.49345	1.1
283.06247	9.5
427.31982	5.1
434.72757	1.5
607.38586	24.8
651.37756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32310	1.1
55.01881	1.9
57.03453	2.7
59.01384	66.0
67.17831	1.2
71.01382	40.4
73.02943	15.1
78.95904	1.8
81.03480	1.6
83.01405	12.3
85.02945	26.0
87.00868	2.4
89.02452	5.7
95.01385	5.6
96.09455	1.4
97.02922	2.9
99.00892	7.7
101.02438	43.9
104.37278	1.6
111.00877	3.1
113.02447	25.2
116.21941	1.5
119.59779	1.3
124.01626	2.3
125.02444	7.8
148.43230	1.3
159.03006	2.2
161.04579	5.4
190.18883	1.3
268.03802	7.1
283.06110	26.3
447.33371	8.0
458.36984	1.4
473.65057	1.5
591.37585	89.4
609.38654	86.9
651.39832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72270	2.7
55.84314	2.6
59.01104	5.1
59.01381	100.0
61.08713	2.7
61.98834	15.8
71.57963	3.1
73.19427	3.0
82.70821	2.7
116.92814	3.4
155.14594	3.1
184.28384	3.7
191.03641	3.8
277.21753	53.5
309.81836	4.0
494.06488	3.7
651.34888	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4126
Annotation	Riisein B
Peak:m/z	Relative Intensity
54.17385	0.9
58.75306	0.8
59.01380	100.0
60.52179	0.9
62.46079	0.8
68.97684	0.8
70.22977	1.0
71.01373	4.9
72.80315	1.1
78.95885	2.3
84.61871	1.1
89.02441	2.4
98.29609	1.0
101.02428	2.1
113.02445	1.1
152.99590	2.0
255.23291	1.3
278.85635	1.1
311.49548	1.1
358.60672	1.1
573.38214	4.3
591.39227	8.6
651.41815	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51447	0.8
58.76362	0.9
59.01385	100.0
64.22199	0.8
70.90286	0.8
71.01385	4.2
77.03523	0.9
77.28301	0.8
78.45467	0.9
78.95908	1.4
81.61581	0.8
83.67022	0.8
86.81841	0.9
89.02441	7.7
101.02459	1.6
113.02435	1.5
119.03507	2.1
128.86186	0.9
161.04613	1.0
164.32460	0.9
179.05635	4.2
242.74101	1.0
258.04919	1.0
439.74161	1.1
651.44855	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94233	0.8
59.01385	100.0
59.92542	0.8
61.98835	24.9
69.86712	0.6
71.01374	3.7
89.02447	9.4
89.28845	0.7
89.40825	0.9
101.02443	3.2
105.63161	0.9
113.02454	0.9
119.03480	4.7
161.04553	1.0
173.31754	0.8
179.05589	5.3
236.66592	1.0
305.29034	0.8
338.87601	1.0
478.59213	0.9
651.44775	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.1
65.88671	0.9
69.91743	1.0
72.30134	1.1
95.02724	1.1
96.96002	1.6
121.32631	1.1
137.62485	1.1
139.03973	2.5
151.04015	5.8
173.06007	1.3
175.18211	1.3
178.76434	1.1
196.69334	1.1
209.06047	1.6
225.05591	5.5
227.10713	1.8
253.05043	11.1
271.09784	100.0
281.04581	51.8
281.07550	2.6
283.09790	81.2
353.10385	5.8
370.12885	15.5
553.15344	5.2
565.15033	5.5
652.18341	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20930	1.7
59.01368	2.4
60.17653	1.8
71.01383	3.3
90.74869	2.0
97.35225	2.0
101.02436	2.8
111.00854	2.3
134.40553	2.3
147.04518	4.1
149.02420	30.7
164.04787	77.9
179.07167	5.0
179.44170	2.0
190.02704	8.0
201.06752	2.1
205.05055	9.4
208.03737	16.2
223.06129	100.0
223.43495	2.3
268.03723	3.6
269.04184	4.3
283.06125	24.6
284.06436	31.2
342.72504	2.2
428.11981	2.7
652.18958	27.4
652.28949	2.8
652.33881	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16841	0.4
53.24422	0.4
57.27691	0.4
58.56562	0.4
59.89495	0.4
62.72267	0.4
71.01373	7.1
72.99300	2.6
80.91541	0.5
82.86828	0.6
85.21531	0.5
89.02435	2.3
97.77337	0.5
115.00362	39.5
133.01427	100.0
160.04027	6.3
173.04553	2.3
176.50121	0.5
191.05681	0.6
197.40395	0.5
356.11478	6.8
360.93527	0.6
465.77124	0.6
518.16571	6.4
634.53278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58124	0.4
68.86549	0.4
71.01381	8.2
72.99304	2.5
73.56199	0.4
88.63765	0.4
89.02455	2.1
94.77283	0.5
115.00366	40.2
132.04819	0.4
133.01433	100.0
160.04037	9.2
170.39809	0.4
280.34961	0.4
356.11484	6.1
518.16632	4.3
599.64575	0.5
652.20239	0.6
654.47955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71999	1.4
52.98170	1.3
55.37939	1.4
56.43987	1.4
59.01382	4.0
59.26620	1.5
59.97018	1.6
59.97515	1.3
71.01371	9.0
72.61363	1.5
72.99285	1.7
94.33644	1.6
102.31792	1.9
105.59179	1.7
115.00353	8.3
123.04488	2.1
129.01949	34.8
130.84940	1.7
133.01437	17.2
135.04543	6.6
137.06078	3.7
147.03006	30.1
161.02440	10.6
180.10376	13.1
189.04341	2.2
190.05118	2.4
191.05844	2.4
204.06647	3.1
241.05139	2.8
285.10043	2.9
299.09167	7.2
300.12427	11.0
310.10873	3.2
311.09341	17.4
327.11121	7.7
342.13483	100.0
504.18851	86.1
545.03607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05495	3.9
57.65068	4.2
61.69642	3.8
66.81738	3.8
123.04498	5.0
128.37268	4.2
129.01955	53.3
133.01476	6.3
147.02962	48.5
147.06633	4.4
161.02408	8.0
270.11359	7.1
299.09344	7.2
300.12585	8.7
304.72546	4.4
307.48181	4.5
311.09332	9.5
342.13544	100.0
504.18817	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
60.29444	1.7
66.92488	1.7
70.92383	1.7
74.54163	1.6
78.17795	1.7
89.02435	2.6
95.70033	1.8
113.06850	2.2
182.12740	2.8
190.06380	2.5
222.05510	2.3
255.63235	2.3
267.06580	3.5
275.08804	2.1
279.06598	12.2
282.09003	20.1
294.09006	34.2
297.07681	19.6
297.11337	26.0
309.11343	54.7
311.09164	2.8
312.10062	52.9
327.12418	49.3
460.17920	18.7
472.17792	25.0
490.18762	100.0
550.31091	2.0
578.23822	2.2
652.30103	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95898	0.8
85.02962	1.2
92.36101	1.0
104.96641	1.0
109.02948	11.5
135.04567	1.2
145.02937	1.4
146.03725	1.8
151.04002	4.7
159.04553	1.3
160.05299	1.4
161.02446	2.6
161.06053	1.2
171.04514	1.1
175.03986	11.7
176.04793	12.6
189.05597	2.0
190.06393	7.9
191.07130	25.2
194.35692	1.1
216.11929	1.0
251.07201	1.2
258.34750	1.1
267.06750	4.5
270.11389	3.9
279.06662	22.3
282.09134	1.4
293.08173	2.4
294.09058	19.1
297.07675	6.4
297.11353	11.1
309.11328	4.3
312.10034	59.9
312.13467	2.3
327.12405	100.0
336.08990	1.5
338.10565	1.3
370.07236	1.6
442.13562	1.4
457.15350	2.5
472.17715	4.5
490.18808	63.4
596.85706	1.1
652.24170	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44772	0.5
53.95496	0.4
54.76747	0.5
63.40611	0.5
75.61757	0.5
75.62560	0.5
79.94353	0.5
87.00870	100.0
92.17503	0.5
100.68584	0.6
103.86628	0.6
113.57654	0.5
138.53683	0.5
188.19936	0.6
216.14406	0.6
244.58534	0.9
294.64151	0.6
357.83997	0.8
652.43018	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.32285	1.5
68.70279	1.4
72.15067	2.0
72.19838	1.6
76.03250	1.6
79.33332	1.9
84.93181	1.5
99.19126	1.5
103.35429	1.8
109.75430	1.7
123.68708	1.6
128.73419	1.7
177.29160	2.1
183.01859	2.1
298.60071	2.1
385.62808	1.8
536.92255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.8
59.41048	0.7
69.61859	0.7
74.75529	0.8
82.65918	0.7
84.17606	0.8
181.12370	0.9
195.13914	20.7
197.70970	0.8
201.11090	1.0
246.90874	0.9
255.23358	1.3
277.21716	18.1
292.93600	0.9
295.22821	100.0
321.60904	1.0
335.49814	0.9
451.68088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94793	0.3
54.10599	0.2
56.03748	0.2
56.94742	0.3
59.01391	0.3
67.62973	0.2
70.58625	0.2
71.01385	0.2
78.80041	0.2
80.54000	0.2
85.02936	1.4
86.84019	0.3
87.81815	0.3
93.03444	1.3
113.02405	0.4
127.04032	0.4
135.04506	0.3
137.02434	3.2
161.02426	1.8
163.03958	0.6
165.93636	0.2
173.04550	0.3
179.03542	0.5
191.05629	100.0
220.18549	0.3
299.04044	0.3
299.07706	1.1
308.05084	0.3
353.08823	28.7
572.03882	0.3
653.19202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1738
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
60.53442	1.1
72.99306	41.0
87.00863	5.1
90.52916	1.3
95.41743	1.2
97.19641	1.3
101.02407	1.5
103.47243	1.4
123.04505	23.8
135.04547	15.2
150.03250	2.4
165.05658	1.5
176.01123	7.6
179.03503	51.6
190.02719	2.9
191.03532	40.4
194.02159	1.4
197.04564	72.9
202.78485	1.2
205.05054	25.5
209.04562	5.5
211.06146	17.6
223.06134	2.8
353.08801	8.1
359.09854	1.5
367.10175	6.6
370.70193	1.6
495.23593	2.2
503.34274	1.5
565.15582	36.4
653.17395	100.0
653.42072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
73.10416	0.6
89.02452	2.6
98.02466	1.1
101.02440	10.1
111.02014	1.0
112.80233	0.6
113.03564	15.9
114.01941	5.5
131.04623	100.0
148.46014	0.7
155.04637	1.0
173.05641	4.4
185.05669	0.8
197.04575	3.0
203.06769	13.5
267.73169	0.6
293.09961	44.7
311.09891	8.7
359.09628	1.4
602.80347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
70.03002	0.5
72.00899	0.7
72.99296	0.7
89.02448	0.9
89.76510	0.7
98.02489	0.8
101.02448	8.0
111.01994	0.9
113.03571	13.5
114.01965	4.4
131.04617	100.0
173.05684	5.7
173.33875	0.6
179.03380	1.2
185.05772	0.9
197.04521	4.7
203.06775	12.7
211.40718	0.6
277.09219	1.4
293.09958	40.5
359.09882	1.4
501.25955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99752	0.8
59.01377	7.1
60.99310	14.8
62.76895	0.6
64.95057	0.6
66.59628	0.6
70.48681	0.7
71.01384	4.5
85.02949	1.1
87.00877	10.3
88.00402	1.9
88.01226	0.8
88.98804	100.0
89.02440	52.9
92.22517	1.0
101.02435	4.7
113.02478	1.6
119.03503	0.9
131.03491	0.8
135.69656	0.9
161.04573	1.4
221.06624	1.1
257.15527	0.8
275.05847	0.9
311.22397	2.9
326.36789	0.8
529.93701	0.9
653.34393	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76201	0.4
53.01440	0.5
58.99550	0.5
59.01376	0.7
60.99321	0.7
63.70226	0.5
67.01894	2.0
71.01385	1.0
73.59524	0.6
85.02943	0.7
87.00872	6.0
93.03448	20.6
101.02401	0.6
111.04533	5.3
113.02471	1.3
114.77288	0.5
129.01987	0.8
134.03766	3.0
151.04036	0.6
155.03537	1.0
165.05559	0.7
166.28908	0.5
170.40308	0.5
173.04579	11.2
191.05637	100.0
193.05060	7.4
367.10391	57.8
367.15192	1.0
520.10229	0.7
595.05109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.6
65.01752	2.0
71.01374	24.4
72.99306	34.8
73.02940	2.3
85.02931	4.5
89.02438	43.2
89.44009	2.3
95.01377	2.3
96.95978	3.3
97.02933	1.9
99.00872	42.3
101.02439	19.1
113.02447	37.4
119.03487	11.9
123.04544	4.1
131.03477	3.8
134.03729	3.2
135.04535	49.8
147.04506	2.5
149.02431	22.0
149.04541	11.5
153.05588	10.6
161.04578	4.4
164.04793	40.7
173.92180	2.3
179.07141	9.7
190.02722	29.0
191.04094	2.6
191.05605	21.7
205.05063	41.6
208.03773	25.5
223.06104	44.3
315.10867	35.4
336.47174	2.1
349.45218	2.1
429.14035	50.2
447.09125	3.4
447.15143	90.1
530.79272	2.1
635.95837	2.1
653.21014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	51.4
71.01379	14.6
71.53322	2.7
73.02897	2.3
85.02962	3.4
87.00880	3.8
89.02443	5.5
99.04519	2.7
101.02449	6.7
113.02428	5.2
121.02934	2.7
134.03775	4.1
136.01651	59.6
136.05220	3.5
149.02448	4.5
150.03210	48.4
151.04004	100.0
154.99980	2.9
164.04785	13.2
165.05534	67.4
175.03983	21.1
180.04231	4.2
191.05525	3.0
193.05006	10.8
195.06631	56.0
252.04207	5.1
299.09311	40.4
305.12488	3.9
310.08624	3.8
311.09280	12.7
325.10864	6.2
343.11890	54.9
347.11359	20.2
370.28854	2.8
391.14075	3.6
439.16153	4.1
457.17221	11.8
508.01511	3.2
605.22247	36.4
623.32581	3.5
635.23120	11.1
653.24500	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.7
59.01380	33.6
64.47070	0.8
71.01377	4.0
73.02941	1.0
85.02943	10.9
91.26377	1.0
99.00905	0.8
101.02457	1.9
101.06113	1.0
113.02434	1.6
121.02956	3.8
122.61600	0.9
134.03735	1.9
135.04515	1.3
136.01656	56.7
146.25954	0.9
149.02405	3.3
150.03200	19.4
151.04002	100.0
161.04567	1.1
164.04837	3.6
165.05563	42.8
165.06953	1.7
175.04001	9.3
175.50278	0.9
180.04234	3.6
184.02464	0.9
193.05133	1.2
195.06653	24.7
235.04045	1.1
236.04848	1.9
252.04321	7.3
255.06584	3.5
263.11536	1.0
270.09094	1.1
282.08945	1.8
284.06915	8.8
299.09235	27.2
299.12579	1.1
305.12317	4.3
332.46503	1.0
347.11389	19.0
439.16138	8.0
517.37854	1.0
532.17773	1.0
635.23358	5.3
653.24670	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40046	1.1
59.01385	19.4
59.65661	1.0
66.79768	0.9
71.01384	4.4
73.02930	1.8
74.94904	1.1
85.06577	17.8
87.00885	1.3
89.02454	2.2
98.44442	1.2
101.02455	2.5
116.92860	6.6
121.02946	1.4
123.14768	1.2
131.03537	1.4
131.04552	1.7
131.07133	100.0
136.01654	30.5
144.54417	1.0
149.02455	1.7
150.03212	10.8
151.04013	45.9
161.04535	1.4
165.05554	25.2
165.50987	1.3
175.04010	7.1
191.05612	1.5
193.05013	1.7
195.06635	10.8
252.04204	2.7
284.06989	2.2
299.09283	16.8
305.12637	1.6
347.11307	9.2
439.16357	2.6
441.93213	1.2
635.24335	1.4
653.23853	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58448	0.8
59.01390	3.6
59.17645	0.9
63.68761	0.9
64.52867	1.0
71.01357	1.7
73.71829	1.0
85.02957	4.1
87.33506	1.1
89.02457	4.3
99.00900	2.1
101.02455	1.8
103.39857	1.0
113.02441	2.2
117.03480	2.1
134.03743	59.8
149.06070	17.1
157.47716	1.0
160.01639	5.4
175.03993	17.8
178.02690	1.8
188.08467	3.6
193.05070	100.0
204.04312	4.1
219.06625	1.4
232.07304	1.6
247.09827	2.1
291.08826	14.0
555.20892	58.9
653.24841	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02164	0.4
52.24931	0.3
59.01366	0.4
63.96946	0.4
72.00909	0.8
73.02953	0.8
79.16109	0.4
101.02438	12.2
112.04061	0.4
113.03569	2.2
114.01997	0.8
131.04622	17.3
144.08182	1.7
147.03441	0.8
147.04509	10.2
149.06105	1.7
161.99675	0.5
164.07179	100.0
173.05708	0.4
186.09235	0.5
191.05650	0.4
197.04649	0.6
203.06755	2.5
206.08205	3.7
217.65968	0.4
236.09296	18.0
266.10229	0.6
270.76526	0.4
271.18506	0.5
278.10349	2.0
293.09961	7.8
326.12497	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21398	0.3
72.00909	0.8
73.02943	0.5
79.01115	0.4
101.02444	9.1
144.08237	1.6
147.04521	9.0
149.06073	0.7
164.07178	100.0
186.32144	0.4
191.05618	0.8
206.08263	2.3
236.09296	15.5
248.09286	0.5
266.10315	0.5
278.10330	1.8
326.12491	15.7
356.92233	0.4
379.92322	0.5
447.57968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42057	1.4
59.01385	24.4
61.98823	2.3
64.23464	1.7
64.52020	1.5
66.21146	1.4
67.01887	3.8
69.03439	1.5
71.01376	13.4
77.06243	1.5
78.14970	1.6
80.04101	1.8
83.04965	1.8
85.02968	3.0
87.00861	8.9
89.02416	11.8
93.03451	48.0
101.02418	10.2
111.04485	8.9
112.04514	1.5
113.02427	3.8
119.03466	2.1
137.02342	2.7
142.67824	1.9
145.02934	8.7
147.08125	7.2
155.03488	3.7
163.03961	10.9
173.04556	81.9
191.05630	8.5
299.16486	7.2
319.01971	1.8
383.56891	2.0
479.23242	15.0
543.90399	2.1
653.28210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00739	1.7
63.93021	1.6
65.12550	1.6
72.26762	2.0
75.59686	1.6
77.40431	1.7
78.95896	15.2
93.78027	1.9
97.17666	2.0
109.22019	2.0
137.02470	3.2
152.99590	60.1
241.01195	38.8
255.23314	100.0
308.10266	2.1
315.04840	12.1
571.19855	3.6
571.29004	95.8
600.73370	2.3
632.51642	2.6
653.29199	4.1
653.43140	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84130	0.8
59.01384	0.8
61.04821	0.6
78.95902	100.0
89.02432	1.1
113.02425	0.7
121.03429	0.7
149.00046	2.6
152.99625	0.8
169.10254	0.8
179.01212	0.8
200.17259	0.8
211.22392	0.7
214.63292	0.7
255.23323	8.8
275.20074	1.0
285.12595	10.8
293.21228	7.2
298.89328	0.8
318.11078	0.8
355.16803	4.2
385.17856	4.1
397.13434	3.3
415.14542	1.8
447.13568	14.2
545.70105	0.8
653.30237	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
66.74603	0.4
78.95903	100.0
127.72386	0.5
147.17986	0.6
149.00114	2.5
255.23340	1.2
275.50964	0.7
285.12637	9.1
355.16690	3.9
385.18079	4.0
397.13025	2.0
397.74081	0.5
447.13492	17.6
639.44135	0.6
653.30212	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88953	0.6
59.01360	4.9
71.01358	3.8
78.95900	100.0
89.02416	1.8
94.28004	0.8
97.02895	1.0
101.02439	1.1
106.85232	0.8
113.02419	0.9
125.09673	4.3
152.99548	8.7
176.15738	0.7
182.06018	0.8
183.15163	0.8
187.09750	7.5
233.01108	0.8
255.20911	1.1
255.23296	15.9
285.12595	9.6
344.81851	1.2
355.16696	3.9
385.17825	1.2
397.13525	10.3
415.14212	1.9
447.13428	13.9
499.98801	0.9
653.29797	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99684	0.7
56.42405	0.7
57.34108	0.7
57.65907	0.7
59.79580	0.8
73.53523	0.8
78.95900	100.0
101.47837	0.8
104.30957	0.8
105.01316	0.9
115.14683	0.8
115.23441	0.9
149.00113	1.4
160.65372	0.8
161.64211	0.9
181.33780	0.9
255.23341	1.0
285.12640	8.9
355.16794	4.4
385.18042	2.0
447.13452	14.7
653.30212	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3318
Annotation	Chisonimbolinin C
Peak:m/z	Relative Intensity
53.79443	0.9
53.82898	0.7
55.27721	0.6
59.01383	1.6
60.22264	0.8
72.99357	0.8
78.95904	100.0
96.96951	4.0
125.09696	16.6
149.06020	0.9
152.99593	21.3
166.41156	0.9
171.10260	1.1
175.03970	1.9
179.60907	1.0
183.13902	1.6
187.09776	33.7
193.04948	1.1
211.13512	8.1
229.14453	7.7
323.09143	1.2
329.23273	12.4
408.12976	0.9
653.33228	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55074	0.6
59.01380	1.0
77.90202	0.7
78.95902	99.8
80.63893	0.7
91.99728	0.8
92.22556	0.9
96.96945	1.9
99.08169	1.1
125.09705	12.6
139.11278	4.0
148.65883	1.1
152.99594	25.0
162.97563	1.0
171.10272	15.2
187.09778	26.7
211.13379	3.3
229.14398	1.7
329.23352	12.5
404.55109	0.9
466.39261	0.8
653.33197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.2
59.01383	30.5
62.76425	0.8
66.13940	0.8
71.01376	19.4
73.02930	4.2
74.76363	0.8
76.99607	0.9
77.34126	0.9
85.02966	1.8
87.00878	1.3
89.01884	1.1
89.02432	24.3
99.00864	1.3
101.02451	19.3
106.66405	0.9
108.14160	0.9
113.02452	11.9
119.03503	11.4
119.16332	0.8
123.04474	1.2
125.02468	1.4
130.61626	0.8
131.03481	8.0
143.03494	1.3
147.79079	0.9
149.02490	1.6
151.35390	0.9
161.04567	10.7
164.04742	3.1
171.10315	1.6
179.05611	1.7
188.03549	0.8
207.41667	0.9
211.13292	1.0
221.06712	10.5
223.06061	2.2
329.23389	5.3
413.58139	0.9
455.05157	1.0
490.85092	1.1
653.34021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21968	0.8
56.23370	0.8
59.01389	8.3
70.52880	0.9
71.01383	10.1
73.02940	2.3
81.84764	0.9
83.01417	1.2
85.02961	2.3
87.00883	1.5
89.02447	7.4
90.83450	0.9
91.22755	1.1
91.78372	0.9
95.01369	1.3
97.02915	1.6
99.04507	5.8
99.08160	1.4
101.02424	4.6
110.70878	1.0
112.95135	0.9
113.02451	12.1
113.35970	1.0
115.97828	0.9
122.76410	1.0
125.02438	5.2
171.10275	13.5
181.12408	7.1
193.12302	1.2
211.13385	17.1
229.14465	17.5
235.13208	1.5
253.14436	1.3
293.21323	1.5
311.22391	1.6
319.28607	1.1
329.23395	50.1
491.28986	2.1
599.21338	1.6
653.21558	3.7
653.33972	100.0
656.23242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06008	1.4
52.73722	1.2
52.74291	1.3
53.49332	1.4
55.55338	1.2
59.01377	20.5
60.99313	1.4
67.78637	1.4
71.01380	17.6
73.02929	3.7
85.02928	2.3
86.03792	1.4
87.00856	10.0
88.98803	16.5
89.02432	51.2
101.02439	17.8
113.02450	8.9
113.09702	2.2
115.04012	2.3
119.03477	9.5
131.03464	6.9
161.04578	6.6
211.13210	1.9
221.06657	9.9
232.66103	1.4
311.22275	9.7
329.23282	3.1
374.91095	1.8
653.33942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56087	0.4
59.01385	7.3
60.20055	0.4
63.51536	0.4
70.10281	0.4
70.31104	0.4
71.01382	2.7
73.02932	1.5
85.02908	0.6
89.02453	0.9
91.05503	0.4
97.02972	0.6
99.00889	1.8
101.02435	4.4
107.21707	0.4
113.02428	2.1
125.09705	1.0
139.11292	0.9
152.45256	0.4
161.04567	0.8
163.11295	2.1
181.12357	23.6
183.10304	3.0
199.13425	2.0
199.81346	0.5
201.11356	8.2
204.65923	0.4
207.10280	17.0
207.12175	0.8
215.12939	1.8
218.08289	0.5
221.85973	0.4
225.11349	100.0
243.12387	73.7
277.16525	2.1
284.51663	0.5
409.20844	8.5
473.23120	0.7
653.29877	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08110	1.2
59.01385	9.5
61.23991	1.2
64.28958	1.2
71.01378	11.3
83.04990	2.0
88.85548	1.2
95.04987	2.9
97.02931	13.0
121.10228	18.0
125.09700	1.4
126.42522	1.4
131.97116	1.5
139.03990	9.5
171.10262	47.7
183.13831	8.8
211.13423	2.8
231.21094	5.4
235.16968	1.8
275.20203	84.4
291.19629	3.1
293.21262	80.1
359.13562	2.6
391.20905	1.4
391.24951	19.0
405.26151	2.7
419.21609	1.9
433.25903	9.5
472.03787	1.5
505.22595	2.9
534.20770	1.5
577.20782	5.7
594.21643	10.0
609.22949	7.5
653.35162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83924	1.4
60.29826	1.6
62.20169	2.0
66.93842	1.5
71.51190	1.5
78.95914	3.5
82.45560	1.5
83.28832	1.5
91.58167	1.6
97.02948	48.0
113.02364	2.1
121.09675	1.7
126.62505	1.7
130.52637	1.8
152.99635	1.9
156.89159	2.1
209.11827	15.7
243.46272	1.8
291.19836	2.5
293.21326	4.1
309.20773	51.1
315.70047	1.9
389.22977	1.9
407.24530	18.0
591.02423	1.9
644.45270	2.1
653.35522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.0
91.27428	1.3
118.68887	1.3
131.04578	1.7
182.27142	1.4
225.91064	1.4
249.18617	100.0
525.03894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55796	1.1
53.29227	1.2
59.01384	43.2
69.57008	1.1
71.01371	1.9
78.95854	1.4
97.02951	2.1
112.90803	1.4
161.07413	1.7
216.80164	1.6
249.18631	100.0
255.23302	1.8
277.21774	27.6
327.27029	1.5
377.44016	1.8
417.48483	1.5
653.35547	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94715	0.7
59.01379	1.3
70.02979	1.9
71.02464	1.1
72.00888	1.1
72.44905	0.8
73.02948	1.8
74.78255	0.8
78.95896	1.3
95.02508	4.5
98.02454	1.0
100.95037	0.8
101.02431	16.5
111.01991	1.5
113.03558	34.5
114.01958	23.0
116.92828	0.8
131.04617	100.0
185.05783	1.2
203.06752	24.2
255.23259	1.6
279.23318	5.3
315.87152	0.9
333.87488	1.0
566.84332	1.0
575.29083	1.2
605.86072	1.1
653.37183	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16708	0.8
74.15630	0.8
78.95904	20.2
92.52528	0.8
96.96944	1.0
97.06651	1.6
114.91733	0.8
124.71843	0.9
125.09711	45.8
152.99588	69.4
169.08734	1.5
171.00629	5.1
187.09756	62.2
212.36978	0.9
213.39153	1.0
233.71831	0.8
255.23314	32.0
323.08984	4.5
338.83664	0.9
397.12872	3.7
653.36823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81969	0.6
59.01102	1.4
59.01384	32.6
65.18504	0.6
69.67970	0.7
71.01376	19.3
71.85665	0.7
73.02959	3.6
76.56760	0.7
78.95905	11.7
83.01393	3.4
85.02938	4.4
87.00867	3.5
89.02442	27.2
97.02940	4.6
99.00901	1.4
101.02431	22.1
105.49126	0.7
113.02479	10.1
119.03481	5.4
125.02403	8.9
137.15598	0.8
137.25928	0.7
143.03459	0.8
161.04527	3.8
177.91699	0.8
197.57199	0.8
221.06825	0.9
235.08296	8.6
253.09302	1.4
255.23317	92.0
287.07693	1.2
305.08673	3.2
372.61731	0.8
379.96014	0.8
397.13550	100.0
415.14597	25.9
653.29828	6.6
653.39532	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.7
59.01102	1.3
59.01384	33.5
61.47105	0.6
68.25798	0.6
71.01377	24.1
73.02944	4.2
81.03401	0.8
83.01397	1.5
85.02935	5.1
87.00880	5.9
89.02444	25.3
95.01365	1.3
97.02951	4.2
97.83831	0.7
99.00874	0.9
101.02438	23.4
101.60674	0.7
106.33054	0.6
113.02451	10.3
119.03492	6.9
120.97176	0.7
125.02452	8.5
141.01968	0.9
143.03494	3.3
161.04568	4.1
179.05611	1.8
196.44456	0.7
221.06685	1.6
235.08261	7.3
253.09218	1.0
255.23317	100.0
287.07724	1.6
295.22836	4.5
296.23108	4.7
304.79572	0.8
305.08774	3.1
397.13538	96.7
415.14664	24.6
426.84613	0.9
502.73370	0.8
653.37622	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27254	0.6
59.01101	1.2
59.01383	25.8
61.49971	0.6
69.03432	0.9
71.01376	20.5
71.89208	0.7
73.02941	4.6
75.79649	0.8
81.03455	1.0
82.62054	0.7
83.01385	3.3
83.34689	0.8
85.02954	5.6
86.79982	0.7
87.00864	12.4
88.75891	0.9
89.02438	18.0
95.01357	1.5
97.02940	4.9
99.00873	2.0
101.02445	28.7
113.02464	15.0
119.03484	4.1
125.02450	11.5
131.03459	1.3
143.03511	3.7
161.04561	5.0
171.02942	0.9
171.10248	0.9
179.05681	3.9
221.06720	1.2
235.08278	10.1
253.09279	5.0
255.23323	100.0
269.24942	5.0
287.07587	1.4
305.08795	4.8
310.52100	0.8
323.10089	1.3
397.13559	84.7
415.14621	34.5
653.37219	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17424	2.5
61.98831	68.5
122.06089	6.2
128.10973	3.0
157.68330	2.8
183.39944	4.0
227.08353	22.0
241.09871	6.7
242.10638	22.6
243.11406	100.0
256.79800	3.9
269.09369	12.2
457.68793	3.7
565.40015	3.6
609.39209	83.9
666.67694	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10703	1.2
53.65630	1.2
59.01101	2.4
59.01383	60.5
71.01377	9.4
71.75805	1.4
72.87243	1.4
73.02938	1.6
75.81530	1.5
89.02444	6.5
101.02404	10.8
113.02428	3.1
132.20476	1.4
157.47881	1.4
159.28166	1.5
161.36690	1.6
168.26631	1.7
192.04587	1.6
231.60136	1.5
279.23349	57.9
304.91675	2.1
391.19553	1.8
638.09723	2.3
653.42865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55024	1.1
56.87539	1.1
59.01384	100.0
85.60460	1.2
116.92818	2.1
257.15521	1.5
279.23306	39.6
290.42426	1.6
328.87018	1.6
349.27658	2.0
355.80179	1.8
363.61111	1.7
421.25644	1.5
449.24911	1.7
653.42371	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02040	1.3
59.01384	2.0
66.07616	1.9
71.01378	2.0
95.05024	3.6
99.08054	2.1
109.06567	2.4
110.84332	1.8
113.02492	2.4
127.31141	1.8
134.03728	2.5
139.11292	3.3
152.88274	2.0
160.01714	2.1
171.10249	31.5
175.03932	7.0
193.05011	3.0
211.13434	30.7
223.13451	2.1
229.14491	20.6
265.14453	2.3
305.17593	10.5
315.25381	1.8
323.18680	7.8
329.23404	100.0
459.14944	2.0
653.29150	10.4
653.39398	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01178	0.5
56.93491	0.5
61.98833	100.0
66.18765	0.5
72.29665	0.5
90.19061	0.7
92.23108	0.8
131.17062	0.6
171.90381	0.6
192.41927	0.5
199.35448	0.6
283.06146	1.4
284.06454	1.4
285.06781	3.1
286.07001	1.0
295.74750	0.6
345.85876	0.6
393.03842	0.7
648.30835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13341	0.5
52.99413	0.5
54.81631	0.5
54.84826	0.5
59.01381	0.9
61.98834	100.0
70.49330	0.5
71.01376	0.8
71.73948	0.6
77.87911	0.5
80.53648	0.5
91.09666	0.6
101.02430	0.7
106.20946	0.6
106.21609	0.6
113.02419	0.7
122.13896	0.6
134.03751	1.4
146.69048	0.6
171.10211	1.3
180.35776	0.6
193.05048	3.8
211.13580	0.8
229.14508	1.0
230.14799	0.8
273.17194	2.2
329.23282	3.8
330.23666	4.8
453.95505	0.7
509.50540	0.6
509.69012	0.6
557.71741	0.7
591.20581	1.3
605.10565	0.7
654.34552	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21597	0.8
61.98831	100.0
62.92157	0.8
79.66660	1.0
92.22514	2.0
95.94556	1.0
118.98054	1.8
121.93974	1.1
125.70514	1.1
160.62158	1.2
283.09836	1.3
346.26715	1.1
347.66971	1.1
386.05035	1.2
469.69727	1.1
654.33301	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74964	10.3
59.01382	100.0
61.98817	26.4
81.10838	11.8
92.22342	12.3
97.00516	13.6
99.07722	11.1
116.30618	11.7
482.06934	11.4
594.28796	17.0
654.32050	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36375	1.5
78.95892	11.0
86.01842	1.1
140.01180	2.9
152.99597	20.1
171.10298	8.4
195.13918	25.9
196.03825	21.4
214.04874	5.1
268.05771	2.8
277.21771	28.7
295.22824	100.0
492.27249	14.3
541.00079	1.4
562.40210	1.6
654.32739	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.69231	0.3
61.98829	100.0
68.56470	0.3
92.41379	0.3
93.27151	0.4
99.99345	0.3
144.66081	0.4
206.20483	0.4
220.95529	0.4
267.23370	0.5
311.59763	0.4
594.51740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91059	0.6
59.01379	0.9
65.94267	0.5
67.86123	0.5
71.01370	0.8
72.99288	2.1
75.00861	2.9
85.02950	3.4
89.02442	1.3
101.02439	0.7
106.20824	0.6
109.01678	1.2
110.46020	0.6
113.02447	100.0
117.01887	0.7
119.04182	0.6
119.05022	14.7
127.03986	2.7
130.59370	0.6
135.03003	38.0
145.02934	0.7
155.03508	1.2
158.97929	0.6
163.04016	32.2
164.07121	0.7
165.07417	0.7
173.04512	0.6
217.03609	3.6
217.08716	5.9
261.07654	3.3
280.08313	0.7
287.78021	0.5
374.10040	0.6
379.16251	0.9
413.53391	0.7
541.15869	6.3
575.04590	0.6
655.18890	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.189
Annotation	Hellicoside
Peak:m/z	Relative Intensity
54.59034	0.7
61.29822	0.8
68.56596	0.9
69.83388	0.8
72.99303	46.5
92.63150	0.9
96.41457	1.0
123.04512	11.6
134.03705	1.0
135.04509	16.3
151.04019	3.9
161.16261	0.9
179.03500	54.4
189.05295	1.1
197.04568	100.0
268.49850	1.0
298.28024	1.0
359.09811	1.5
480.00015	1.0
493.13513	4.8
655.18903	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21117	0.5
65.91859	0.6
69.10727	0.5
70.04839	0.4
73.02962	0.5
75.00874	3.1
85.02950	4.4
85.28995	0.5
88.04232	0.5
89.02451	0.7
109.60154	0.5
113.02451	100.0
119.05024	15.2
127.03895	0.6
135.03011	39.8
141.59113	0.6
145.48303	0.5
161.06166	0.6
163.04025	30.3
191.05682	1.0
217.08702	8.4
261.07748	3.9
273.15530	0.5
281.06644	0.7
389.25870	0.5
394.90268	0.6
525.38574	0.6
541.15771	6.1
653.49652	0.6
655.18976	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2175
Annotation	Tiegusanin D
Peak:m/z	Relative Intensity
59.01383	5.8
75.00864	14.6
82.13336	3.6
88.38469	3.6
93.03442	8.6
96.96004	4.3
118.51390	4.0
118.90376	3.9
130.88847	4.1
137.02438	40.6
165.05470	4.4
169.29836	4.1
169.69180	3.9
191.05730	4.8
213.09969	3.8
316.10077	4.4
329.13959	9.5
359.15155	8.1
434.61011	4.4
450.24002	4.1
521.20404	7.1
563.20032	5.0
655.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61580	0.3
50.71115	0.3
54.04930	0.2
54.56386	0.2
59.01366	0.7
67.18253	0.3
67.27912	0.3
71.01376	1.7
72.99303	3.2
73.02943	0.5
73.64476	0.3
78.83016	0.3
81.03455	0.8
85.02933	0.4
93.03432	0.3
99.04488	2.8
101.02445	1.2
103.49190	0.3
113.02421	1.4
113.03559	0.3
119.05019	6.4
119.09039	0.3
129.83020	0.3
135.04530	15.6
137.02458	0.4
143.03531	0.4
150.03233	0.4
161.04550	1.8
163.04015	33.7
165.05566	2.6
173.04570	1.7
181.05078	100.0
212.75279	0.3
224.70039	0.3
256.07443	0.6
271.09869	1.1
279.10883	5.6
298.58124	0.3
319.11908	0.4
329.69333	0.3
337.50128	0.4
347.68472	0.3
393.16620	0.4
399.59003	0.4
481.17560	0.3
589.32672	0.4
651.56323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57887	0.9
59.01376	4.1
71.01375	2.2
72.36880	0.8
74.20890	0.9
80.37516	0.9
85.02935	1.7
89.02430	1.1
91.68971	1.0
101.02419	1.8
102.34991	0.9
111.00900	1.0
114.53783	1.2
115.15426	1.0
121.59049	0.9
137.02354	1.1
143.68439	0.9
147.04518	3.9
149.02448	13.5
152.01137	1.5
164.04810	61.1
171.69719	1.1
179.07228	7.7
190.02730	5.3
191.03549	1.5
205.05081	15.3
208.03781	5.0
209.04669	1.1
223.06142	100.0
233.44054	1.0
304.21500	1.0
305.04654	1.6
308.06866	1.5
314.42917	1.0
334.97079	1.3
447.22614	1.1
472.74036	1.1
567.20996	34.5
587.43207	1.1
637.19159	5.5
655.22229	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96061	0.9
59.01367	3.8
70.42947	0.8
71.01359	1.9
74.65868	0.7
79.79673	0.7
85.02945	1.6
87.00829	0.9
89.02421	3.3
96.04939	0.7
100.34039	0.7
101.02438	4.3
113.02411	3.4
119.03504	0.8
147.04491	3.3
149.02449	13.9
149.16216	0.7
164.04793	73.5
167.81920	0.7
179.05931	0.7
179.07152	10.3
188.43539	0.8
190.02698	4.6
191.03522	1.6
205.05061	16.0
208.03729	4.4
209.04515	1.2
223.06129	100.0
493.31570	1.2
567.20874	29.1
655.22510	69.6
655.34723	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25023	0.8
59.01386	9.2
61.98833	15.1
66.79717	0.8
71.01367	5.5
72.99306	1.0
73.02939	1.2
76.47267	0.8
80.48788	0.8
83.64700	0.9
85.02886	1.0
89.02439	6.5
97.02920	1.7
101.02412	4.9
113.02422	1.4
113.39703	1.0
115.03979	4.8
119.03514	1.5
121.99229	1.0
130.72804	0.9
135.04482	0.9
142.86133	0.8
149.02417	1.0
158.99850	1.0
163.03952	4.1
164.04803	12.3
166.02721	1.0
175.00214	1.5
177.05533	1.4
178.06316	1.4
179.07101	5.4
183.06638	1.5
190.02722	31.5
205.05074	100.0
207.02943	1.4
208.03766	7.0
222.05310	4.4
223.06166	19.7
230.09499	1.4
232.20486	1.2
245.11803	1.1
459.15051	2.2
469.17276	29.4
557.18634	4.2
567.20862	19.4
655.22540	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55934	1.2
59.01100	1.7
59.01381	29.9
65.22643	1.0
71.01376	13.2
72.82288	1.3
73.02946	1.7
77.96495	1.4
85.02941	1.9
89.02448	20.7
97.02932	1.5
101.02448	16.5
103.75130	1.5
113.02413	5.5
115.04010	12.8
119.03494	5.5
134.03853	1.3
135.04546	1.6
149.02429	2.7
163.03963	14.9
164.04826	13.8
166.02708	6.0
177.05421	1.6
178.06317	3.1
183.06654	4.6
190.02747	10.5
194.57394	1.3
205.05080	41.2
207.02982	16.1
208.03802	1.4
222.05389	8.7
223.06136	15.8
230.09431	5.2
274.08490	11.3
289.10873	20.4
293.10306	7.5
321.09778	7.6
350.58304	1.5
454.14984	2.0
469.10913	2.2
469.17258	52.1
557.18628	5.8
567.20825	36.9
655.22510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46118	0.9
56.82461	0.9
59.01366	2.2
71.01376	2.6
85.02973	1.6
89.02444	1.5
90.70892	1.1
91.04027	0.9
101.02406	1.3
116.92854	1.7
121.02931	2.1
121.05038	2.3
134.03737	24.7
149.02438	2.8
149.06032	6.0
150.03236	14.3
160.01637	22.1
161.02448	1.5
162.77631	1.3
164.06935	1.1
165.05571	28.6
171.51140	1.1
175.04005	100.0
193.05072	52.8
195.06625	4.4
218.11806	1.2
235.06047	6.6
245.89507	1.3
282.08936	6.0
341.10223	7.2
423.36478	1.4
458.58011	1.2
459.08929	2.0
459.15198	55.3
595.30157	1.5
607.20526	2.4
627.00562	1.3
655.13965	2.3
655.22418	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72343	0.5
54.00011	0.5
64.64582	0.5
71.01381	41.4
82.98531	0.7
105.55891	0.7
115.00368	100.0
115.03989	2.5
116.92856	12.0
117.01909	0.9
117.05666	0.6
151.82675	0.7
236.70142	0.6
271.19785	0.7
334.07910	0.6
609.16272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32282	0.8
59.01383	7.2
59.61183	0.8
68.62405	0.8
71.01389	3.1
75.00854	2.1
85.02953	1.2
87.00868	4.8
89.02425	5.2
93.03472	1.3
94.29449	0.8
96.96007	15.1
99.00906	1.2
101.02419	4.1
113.02440	1.8
119.03460	1.8
151.04007	1.8
164.04829	7.0
168.57974	0.9
179.07141	1.8
190.02721	16.0
197.04581	1.1
205.05078	100.0
208.03728	1.3
222.05350	1.7
223.06120	20.6
234.05426	10.4
249.07686	9.4
256.82132	1.0
265.06876	0.9
393.22552	1.1
396.38260	0.9
454.14893	3.3
469.17294	29.0
550.00665	1.1
551.89258	1.0
655.22467	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64881	1.2
55.42207	1.3
56.09616	1.5
59.01380	12.9
60.68481	1.4
71.01379	14.6
73.02948	6.8
85.02923	3.5
89.02449	3.4
99.00900	2.9
101.02449	12.5
101.15633	1.9
113.02426	6.6
134.06120	80.7
135.07320	1.6
144.65331	1.9
146.96701	1.6
161.04556	3.3
162.05582	2.1
171.10249	3.5
190.05138	10.9
191.27826	1.7
227.08282	2.6
229.14508	2.1
239.11871	12.8
240.10387	6.2
255.11378	2.7
265.09830	2.4
267.07541	2.2
268.08603	6.9
269.12976	45.5
281.09543	2.1
282.10162	2.6
283.10904	100.0
304.28741	1.8
309.08807	8.2
316.23950	1.9
319.22830	33.0
327.09933	6.7
341.11078	3.2
359.12320	2.2
418.17743	9.7
494.19812	3.3
579.22723	2.7
595.31342	1.9
613.32654	13.6
619.33429	3.6
623.21521	23.3
655.24084	99.2
655.33362	34.7
655.43927	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31487	0.7
53.62343	0.8
55.56603	0.7
56.35655	0.9
57.01394	0.7
57.03444	1.0
59.01384	45.0
59.01683	1.7
64.31639	0.8
71.01372	6.3
73.02954	0.9
85.02943	1.0
87.00841	0.9
89.02445	9.1
96.20705	1.0
96.96004	7.8
99.00874	6.5
99.04524	1.4
101.02426	5.9
113.02438	5.6
119.03502	1.8
119.08635	1.6
136.18420	0.8
137.02396	1.4
137.09703	7.9
145.08670	5.2
161.04472	0.9
161.09720	2.1
179.10770	4.5
181.08746	11.9
182.52266	1.1
191.05640	1.4
197.10211	1.2
197.11842	18.8
201.11517	1.0
223.06192	1.3
223.09763	1.4
225.11337	9.2
241.10808	4.7
243.12350	7.8
362.96411	1.1
431.15536	1.4
655.26202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2981
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
53.94936	1.1
55.55653	1.1
57.09312	1.1
59.01384	9.9
59.01601	1.2
59.13192	1.2
60.64845	1.1
63.45497	1.2
71.01335	6.3
76.85086	1.2
82.41967	1.3
87.98901	1.4
88.98753	3.0
89.02450	1.7
113.02379	1.6
117.90341	1.5
120.16142	1.6
147.89188	1.2
149.02354	3.0
149.05965	1.4
150.06749	7.0
151.03952	2.0
152.99507	1.2
153.01849	1.9
164.04790	14.1
165.05487	3.2
166.06277	5.8
168.04266	2.4
179.03462	2.9
179.07140	54.5
179.10619	7.4
180.07945	11.7
181.05063	2.3
195.06522	6.8
225.05664	1.5
225.07703	35.5
241.68274	1.4
345.58353	1.4
365.03528	1.5
366.29282	1.5
477.31931	3.1
481.23834	2.0
523.33051	10.9
557.18640	1.8
557.26154	36.1
584.55310	1.4
611.30402	1.9
637.95795	1.4
655.29010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2981
Annotation	Tricalysioside E
Peak:m/z	Relative Intensity
50.97554	0.8
52.82624	0.9
59.01385	11.5
61.98827	0.9
71.01365	8.5
73.02917	1.5
85.02939	2.0
88.95396	1.0
89.02441	12.8
94.84092	1.1
97.02938	1.5
101.02424	12.0
113.02434	5.3
119.03465	5.4
131.03461	1.3
143.03505	1.5
161.04486	3.7
178.66679	1.1
179.05591	2.5
207.39688	1.1
221.06619	4.3
232.64423	1.0
235.44785	1.2
244.06508	1.0
244.16319	1.4
249.29947	1.0
269.19043	5.3
287.20181	4.7
313.18137	71.7
327.21835	7.4
331.19189	100.0
345.20615	4.9
452.21466	1.1
522.84467	1.4
524.27802	1.1
653.81769	1.1
655.29718	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3135
Annotation	Chisonimbolinin A
Peak:m/z	Relative Intensity
50.15588	0.5
59.01383	1.3
61.98817	3.9
68.76061	0.6
71.01349	0.5
85.02914	0.6
98.79455	0.7
115.12110	0.6
133.02968	6.2
135.04524	4.1
161.02444	100.0
162.81860	0.7
162.83287	0.6
174.31662	0.7
179.03479	6.1
183.13954	1.5
327.21646	7.7
348.24213	0.7
655.31390	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01386	41.2
71.01382	17.6
73.02950	7.4
83.01398	1.4
85.02946	8.8
89.02437	4.3
93.03467	1.3
95.01407	0.9
99.00892	3.6
101.02438	23.4
111.00839	1.2
113.02434	11.8
119.03471	1.7
137.02463	9.5
143.03517	0.9
144.58533	0.7
159.02937	1.1
161.02480	1.7
161.04521	6.2
205.05077	1.1
241.14401	0.8
267.50186	0.7
327.26654	0.7
329.13959	0.9
333.78400	0.7
391.23410	3.4
433.24472	1.6
442.57489	0.8
535.27301	5.9
553.28662	3.1
595.29816	100.0
655.21924	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.5
59.19581	1.1
68.28344	1.1
71.01375	4.9
72.72321	1.2
73.02950	1.6
85.02929	1.6
89.02435	1.6
93.97317	1.4
101.02420	2.5
113.02473	2.0
149.51849	1.4
152.99504	1.4
167.14510	1.2
199.23228	1.5
210.38467	1.3
211.13480	1.8
249.18607	14.7
267.19662	96.8
275.16568	11.8
293.17639	68.8
311.18600	2.1
311.21893	1.7
343.21582	1.4
347.25925	16.2
371.03735	1.3
373.23911	2.2
391.24948	43.2
468.32776	1.3
531.05200	1.4
577.62018	1.3
655.33429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17143	0.7
52.86463	0.6
58.72352	0.6
88.63651	0.8
92.22407	0.9
249.22255	93.4
267.23315	3.2
293.21265	52.4
295.22729	1.1
311.22318	54.4
362.60858	0.9
426.66907	0.9
655.37030	100.0
657.31812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93385	1.5
54.10203	1.1
58.82160	1.4
59.01360	1.8
71.73215	1.3
78.95894	1.5
89.05525	1.3
95.64682	1.4
97.02940	3.6
136.10989	1.6
152.99579	2.9
154.23459	1.6
163.11253	2.3
249.22256	5.9
293.21262	100.0
311.22330	42.9
371.69794	1.4
409.26440	3.1
453.74911	1.6
649.91663	1.7
655.37140	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3711
Annotation	Russelioside A
Peak:m/z	Relative Intensity
52.98542	0.9
53.50373	0.9
59.01370	1.5
60.58417	1.0
66.67315	0.9
84.97176	1.1
90.25463	1.0
92.23164	1.2
98.80460	1.0
150.06857	30.5
179.10802	21.3
204.50104	1.2
211.91154	1.3
249.18666	2.3
260.25162	1.3
311.22287	2.1
313.20215	17.5
327.21722	9.1
429.30264	8.9
432.28876	2.7
435.66162	1.5
447.31110	4.6
457.15070	8.1
475.30804	7.3
492.30930	7.6
493.31815	54.2
655.37170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3709
Annotation	Russelioside A
Peak:m/z	Relative Intensity
55.01873	0.7
59.01382	21.4
59.48355	0.6
61.98837	3.1
71.01377	14.2
73.02961	4.2
83.01407	1.7
84.09364	0.8
85.02950	6.5
89.02428	12.5
92.22494	1.3
95.01369	1.2
101.02443	17.1
101.50322	1.0
113.02451	7.5
119.03539	4.7
136.05286	23.4
141.49709	0.9
149.06099	5.8
161.04596	1.5
162.06912	3.6
171.10306	1.1
179.05693	1.2
191.10779	18.6
219.13980	1.9
273.18735	3.6
301.20209	6.8
327.21841	1.3
429.30090	8.5
447.31464	1.6
468.77667	1.0
474.30185	3.0
475.30673	17.7
475.37085	1.2
492.31235	3.3
493.32059	26.5
541.99255	1.0
655.36707	100.0
673.69000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25782	1.3
59.01367	7.1
68.85636	1.3
71.01369	2.8
78.95914	2.5
85.97586	1.5
89.02432	2.9
92.23163	1.6
95.05022	9.8
97.06583	64.9
101.02444	6.4
115.07635	7.3
119.03506	1.7
155.07097	1.4
159.06616	80.3
199.20216	1.5
228.80592	1.6
272.81738	1.7
277.21750	19.2
291.19962	2.1
293.21161	1.7
395.15686	6.3
473.40738	2.0
494.33459	1.7
619.42163	16.4
655.37189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.6
61.98825	0.9
62.61409	0.7
71.01377	22.9
73.02935	7.8
74.44778	0.7
83.01379	1.2
85.02949	6.0
87.00859	0.8
89.02432	18.5
95.01375	1.7
97.02945	1.2
99.00880	14.8
101.02442	22.1
101.06077	1.7
113.02441	13.5
119.03469	5.5
119.04264	0.8
125.02433	1.3
128.84988	0.7
129.09993	0.7
131.03525	1.5
131.76367	0.7
134.85719	0.8
143.03476	1.5
149.04521	1.0
152.99585	0.9
159.02910	1.4
159.10344	0.9
161.04547	10.5
171.10394	1.1
191.05640	1.5
263.11389	9.8
277.21744	100.0
377.14474	1.5
395.15515	19.5
619.42114	5.9
655.37134	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36470	1.7
52.59117	1.7
54.60943	1.7
59.01378	4.7
61.98800	2.0
78.95905	12.5
87.67277	1.8
95.05027	18.8
97.06587	89.8
101.02468	2.5
104.14404	2.1
115.07648	5.3
124.65845	2.4
125.09727	2.2
152.99617	4.3
159.06621	40.1
277.21725	50.6
291.19870	2.7
383.66574	2.2
619.42291	25.4
655.37653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	19.7
69.65923	3.2
87.09349	3.0
110.13525	3.2
152.03598	4.5
232.99796	3.0
234.43195	3.8
245.05650	4.8
255.07861	3.8
258.06561	12.5
273.08823	93.5
445.07867	3.4
496.94739	3.4
595.37885	16.7
655.39771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94015	0.6
53.95158	0.6
59.01380	53.0
64.73137	0.6
66.25370	0.8
69.03468	1.0
87.04507	8.2
94.84870	0.9
99.04533	1.8
105.07883	0.8
111.04507	1.3
115.41571	0.7
135.06664	1.7
166.98705	0.7
176.02940	0.7
177.07738	3.6
186.75557	0.8
205.15962	7.6
212.40302	0.8
224.58249	0.7
233.19138	3.8
259.17084	3.2
277.18109	55.9
347.22339	12.7
414.51434	0.9
437.25439	6.1
655.42255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03225	0.5
60.09035	0.7
63.33677	0.6
85.02946	2.8
93.67928	0.7
97.06557	3.0
111.98886	0.7
127.11211	0.9
144.74876	0.8
150.06831	1.3
150.64136	0.8
171.10237	7.4
177.12791	0.8
180.52919	0.7
183.13882	3.4
185.11868	1.4
209.12050	0.7
211.13409	25.5
219.06421	0.9
221.11824	4.9
222.00574	0.8
229.14441	20.3
239.12991	1.1
254.48273	0.8
291.19620	4.0
309.20660	1.1
327.21796	100.0
458.91196	0.8
493.31729	4.7
655.37366	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21758	1.3
63.11992	1.7
77.48594	1.7
80.64845	1.5
84.02155	2.8
127.11259	2.8
135.07309	1.7
137.09727	23.4
155.10773	46.6
171.10271	100.0
201.11301	7.7
213.11382	3.8
248.85153	2.2
265.96564	2.1
327.21799	72.1
408.72748	2.1
608.81732	2.2
613.95215	2.1
655.32654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57624	2.9
55.77265	3.2
61.61538	3.7
84.29730	3.5
139.11290	14.2
149.06055	5.5
153.40839	4.3
162.06862	20.3
167.10756	34.3
175.07657	14.9
213.09145	4.9
233.54179	3.7
243.13937	32.6
270.16345	33.5
281.19080	8.2
284.17874	25.8
298.19202	4.3
299.20090	30.1
335.14746	3.9
549.46661	4.9
552.46167	4.7
567.47845	49.4
580.39404	4.0
611.47150	51.0
655.46014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
61.98835	0.6
71.01355	0.8
72.99820	0.4
78.58986	0.4
83.01408	0.6
86.88026	0.6
89.02403	0.5
102.08223	0.5
113.09742	0.7
119.03506	0.5
125.09735	1.8
150.69382	0.5
171.10251	0.7
180.62320	0.7
184.45891	0.5
187.09827	0.7
195.13914	20.4
255.23355	2.5
256.23660	1.1
257.23938	1.1
277.21738	20.3
295.22797	100.0
301.93680	0.6
383.94727	0.6
398.14023	1.2
399.13947	2.2
619.40051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32094	0.4
54.37528	0.3
56.71537	0.4
61.98822	3.0
70.15374	0.4
78.90850	0.4
104.37550	0.4
110.46976	0.4
125.09714	0.9
134.78499	0.4
141.12936	0.5
171.10258	27.4
199.71753	0.4
221.86661	0.5
249.22267	1.6
277.21729	45.8
293.21320	0.5
294.51019	0.5
295.22791	100.0
311.22311	0.6
450.19641	0.5
655.36786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17640	0.6
59.01386	11.2
59.11414	0.6
60.01717	0.7
60.51675	0.7
61.98832	6.5
67.86507	0.6
71.01378	6.3
72.64333	0.6
73.02930	1.0
78.95904	5.5
79.60630	0.6
85.02940	1.2
87.00865	1.4
89.02432	7.0
90.02757	0.8
92.22556	0.8
97.02948	0.6
99.08157	0.9
101.02430	8.9
102.02734	0.7
113.02450	4.3
119.03472	0.7
122.49840	0.7
125.02408	1.3
141.01936	0.7
151.45251	0.6
161.04546	0.9
171.10272	34.9
235.08247	1.2
250.20177	0.7
255.23299	18.9
256.23642	11.4
257.23935	8.6
259.20926	0.7
277.21747	57.7
287.07553	0.8
293.21198	4.6
294.21457	5.5
295.22806	100.0
397.13651	8.1
398.13956	13.3
399.14059	15.8
415.14285	1.2
416.15060	2.8
417.15182	4.4
612.73962	0.7
655.30310	3.9
655.39880	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06821	2.0
57.22924	1.9
59.01385	4.4
73.28651	2.3
78.94888	2.4
141.98906	2.7
151.56274	2.3
173.52650	2.2
203.17921	2.9
257.22699	9.8
301.21753	100.0
310.52219	2.4
430.13168	2.5
590.36035	2.5
642.33734	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69933	0.3
53.38052	0.3
65.57449	0.3
69.50790	0.3
71.82540	0.4
103.30182	0.3
117.27219	0.4
189.62282	0.3
301.21756	100.0
338.34650	0.3
449.19672	0.4
471.51242	0.4
660.50873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46746	1.3
59.01379	64.5
61.98834	3.2
72.23831	1.2
77.39856	1.2
92.22721	2.1
130.56642	1.4
153.23849	1.4
154.36716	1.5
223.87996	1.6
327.29080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15888	0.3
55.60695	0.3
58.37312	0.3
61.98832	100.0
63.99292	0.4
64.74644	0.3
66.21747	0.3
72.27043	0.4
78.87798	0.3
90.42899	0.4
118.07078	0.4
154.31155	0.4
214.08597	0.4
236.94621	0.4
249.65218	0.4
263.64957	0.4
276.56549	0.4
285.07843	0.7
286.08017	0.9
369.34503	0.4
447.32266	0.5
606.55933	0.4
656.18640	0.5
669.79987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50755	0.8
71.01371	1.0
71.23618	0.8
85.02937	1.3
89.97372	0.8
92.22474	1.0
108.02158	25.1
109.02942	14.9
113.02460	1.2
139.39713	0.8
151.04004	1.4
152.01144	52.2
153.01933	26.3
163.04053	1.2
165.01921	1.4
178.36867	0.8
205.45929	0.7
250.33018	0.8
253.52058	0.8
268.43509	0.8
310.10867	10.3
315.07251	100.0
325.13193	19.8
340.15527	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44108	0.7
69.58212	0.7
79.41183	0.7
90.19127	0.7
99.00867	1.9
125.06082	6.4
148.31018	0.8
169.05101	3.1
216.05145	100.0
263.88232	0.8
439.21875	1.4
656.27863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62045	1.1
59.01392	1.3
61.98833	100.0
75.55190	1.3
77.23407	1.1
78.95912	1.1
90.59805	1.4
97.71906	1.3
143.22021	1.3
178.01366	1.5
277.21820	2.0
313.64249	1.5
549.85150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30059	0.8
59.01382	0.9
60.22153	0.9
61.98839	1.0
68.54018	1.0
80.43935	0.8
94.02981	100.0
124.04035	4.7
126.59067	1.2
131.20909	1.1
134.06093	1.5
164.10811	47.3
166.52126	0.9
194.11893	1.2
204.85947	1.0
208.09819	7.0
227.19005	1.3
238.10867	67.0
314.89017	1.2
458.23880	1.1
535.88593	1.1
656.34027	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61102	0.4
57.39997	0.4
61.98833	100.0
65.25881	0.4
68.05501	0.4
68.72287	0.3
74.17921	0.3
78.10523	0.4
88.33277	0.4
118.43937	0.4
139.42381	0.5
201.58244	0.4
326.38776	0.4
352.15286	0.5
380.73605	0.5
392.98627	0.5
463.27698	0.4
593.44128	2.1
651.10425	0.5
656.43854	4.4
656.54620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68512	0.8
53.77909	0.8
54.13989	0.9
58.02988	1.2
63.27554	0.8
69.56511	0.7
72.60121	0.7
83.69993	0.8
84.04545	4.9
100.07681	5.7
102.05610	41.2
107.51517	1.0
113.74371	1.0
119.99531	0.9
125.09719	1.0
138.75671	0.8
139.11295	4.3
153.12833	1.3
159.25882	0.9
191.18112	6.7
224.14125	1.0
247.20601	3.6
277.21777	5.3
293.21252	100.0
362.27048	67.6
362.31674	2.0
412.50635	0.9
521.99738	1.0
593.41443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16673	0.3
50.59130	0.3
56.67906	0.3
59.01378	0.4
70.68879	0.3
73.02942	0.5
93.79700	0.3
99.92579	3.2
116.92855	100.0
117.01913	2.4
118.05388	0.3
227.42126	0.4
301.79663	0.4
446.67508	0.4
544.63855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17972	0.7
51.23651	0.8
54.99183	0.8
57.55410	0.8
58.48967	0.9
59.60532	0.8
69.77399	0.8
71.01359	0.9
73.39542	0.8
76.36257	0.9
87.71796	0.8
88.59472	0.8
89.02459	1.0
93.83425	1.0
101.02413	1.0
108.02173	20.0
109.02956	14.8
113.02444	1.0
123.04506	1.1
131.25443	0.8
133.03020	1.5
135.04486	1.7
135.36989	0.8
136.80942	0.9
137.02460	1.3
145.91348	1.0
149.41809	0.9
151.04018	1.7
151.99911	1.8
152.01146	54.9
153.01930	25.7
161.02443	52.3
163.03987	2.1
165.01970	1.5
170.34158	0.9
179.03476	8.9
193.05003	1.3
203.03557	1.4
221.04614	1.1
315.07269	100.0
317.94269	0.9
341.08777	29.6
341.12561	1.1
488.11664	1.1
657.17810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57494	0.4
71.01376	1.0
71.65900	0.4
106.02218	0.5
108.02159	17.1
109.02947	14.0
113.02464	0.5
116.10870	0.5
121.02896	0.5
138.70163	0.5
151.04039	1.5
151.05125	5.7
152.01147	44.9
153.01938	25.6
153.02888	0.6
163.04034	0.7
165.01912	1.0
179.03506	0.5
222.55116	0.5
252.05820	0.6
315.07254	100.0
506.01367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13280	0.7
57.02409	0.8
59.01099	1.3
59.01385	27.1
61.98840	1.3
62.28657	0.8
66.24829	0.8
71.01379	16.5
73.02944	5.6
81.90955	0.8
83.01385	1.2
85.02944	5.8
89.02444	11.9
95.01411	1.0
99.00864	6.7
101.02449	15.3
113.02444	12.0
119.03490	3.7
121.02945	1.3
121.15027	0.8
147.04512	5.4
149.02438	28.7
149.04448	1.0
161.04561	5.4
164.04794	96.1
169.59595	0.9
179.07133	12.4
190.02751	7.5
191.05618	1.7
205.05093	15.0
208.03798	4.3
223.06128	100.0
228.49094	1.0
274.54294	0.8
277.21616	0.9
384.66824	0.9
432.28168	0.9
499.29187	64.3
525.34216	1.5
609.00073	0.9
621.21997	79.1
657.35571	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21425	1.0
53.97285	1.0
61.45310	1.1
68.22522	1.0
71.01382	7.9
72.99304	6.7
77.50900	1.1
87.01418	1.0
89.02458	1.5
92.69997	1.1
112.12897	1.2
115.00359	42.4
121.02923	1.9
123.04520	11.8
133.01427	100.0
151.04004	40.6
174.83514	1.2
185.83772	1.2
200.08623	1.4
225.31709	1.4
236.98799	1.6
257.08392	1.4
304.78558	1.3
337.07001	1.3
430.02451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.7
59.01386	73.5
59.93421	1.3
74.41252	1.5
79.71899	1.4
82.64145	1.4
109.21892	1.7
116.92863	7.4
165.01944	9.2
176.04800	2.2
179.03511	7.3
180.04318	30.9
194.05850	18.5
195.06651	69.1
209.08206	20.6
210.05283	12.2
225.07697	41.5
321.15845	2.5
357.09885	3.2
372.12006	11.5
387.14630	27.4
435.16647	100.0
600.72272	1.7
665.45068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75610	1.3
57.66823	1.3
59.01377	3.2
64.40637	1.4
65.08173	1.3
71.01375	2.1
72.99310	2.5
94.18108	1.7
108.68125	1.4
115.00319	2.1
116.92870	3.8
137.02426	15.1
152.04800	43.9
161.02411	7.7
176.04779	20.3
179.03525	10.1
184.03764	3.0
191.07127	11.4
194.05847	64.7
197.04555	5.8
205.04984	2.9
206.05853	6.4
209.08203	78.5
210.05322	6.3
216.88409	1.5
220.07521	5.7
221.08182	20.1
222.05304	6.0
224.06894	2.2
225.07736	26.5
237.07687	13.8
325.00763	1.7
387.13187	12.9
405.15555	8.5
420.14331	7.4
435.16635	100.0
457.13766	2.7
672.95258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3137
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
59.01378	9.8
65.74933	0.5
71.01377	10.2
72.99290	0.7
80.85617	0.5
83.01381	1.0
85.02941	5.3
89.02459	4.7
95.01340	0.7
99.00900	1.0
101.02443	16.4
113.02438	6.6
119.03479	1.0
128.27370	0.5
143.03505	0.9
153.01860	0.5
159.03033	0.6
161.04570	2.4
250.91695	0.5
283.10468	0.7
289.21881	0.7
329.14130	0.8
333.20697	4.6
379.13629	0.7
391.23459	0.6
477.24905	1.0
495.26050	20.2
536.38062	0.5
652.13739	0.6
657.31403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41250	0.7
57.03450	1.3
59.01382	41.3
71.01372	22.7
72.99295	1.5
79.51679	0.8
83.01395	1.2
85.02945	37.7
85.31762	0.7
87.00859	6.0
89.02436	19.3
95.01381	7.1
99.00890	1.1
101.02457	12.3
103.00359	1.4
113.02441	47.0
114.57144	0.8
115.00360	1.8
119.03498	7.0
128.25922	0.8
129.01930	1.6
129.54434	0.8
138.44579	0.8
143.91840	0.9
175.02472	25.4
217.08698	0.8
301.21722	27.0
348.81570	0.9
481.28116	30.4
657.31421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3423
Annotation	Dianthin B
Peak:m/z	Relative Intensity
59.01370	29.6
60.18137	17.9
71.06571	18.8
78.70173	18.0
79.29028	20.1
103.09165	20.0
115.58960	21.4
117.05888	21.9
118.23421	22.2
125.59962	25.8
125.75912	24.9
155.07291	22.0
212.94077	20.9
221.78821	23.3
234.05057	24.4
302.69675	21.8
330.81537	22.8
386.85065	23.6
412.48907	22.9
473.92508	23.1
502.88202	24.3
657.34106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33493	7.6
51.34098	9.1
58.08607	8.0
58.43531	8.4
58.81877	8.4
59.01377	14.0
61.98825	12.8
68.97520	7.4
71.01379	18.4
87.77274	8.4
90.77879	9.0
92.23016	17.6
99.00900	17.7
101.02468	17.9
109.72044	9.6
131.06757	9.7
211.18086	10.6
236.45334	9.8
277.21490	11.4
279.23282	98.3
281.75259	11.0
383.98932	9.3
595.71136	11.0
657.38501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3425
Annotation	Dianthin B
Peak:m/z	Relative Intensity
79.56210	19.9
123.29568	18.3
217.30846	19.9
225.43774	17.5
271.88040	17.9
277.21765	30.6
410.16220	20.6
621.43964	34.9
657.35052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71065	1.2
57.97358	1.4
59.01101	2.6
59.01383	46.2
61.98848	1.6
70.99408	1.2
71.01382	25.6
73.02950	8.6
82.00947	1.2
83.01388	2.8
85.02962	10.1
85.88097	1.3
89.02431	15.3
95.01374	1.7
99.00863	3.1
101.02441	28.1
113.02438	17.9
113.14481	1.3
113.83886	1.2
119.03497	7.5
149.02449	2.6
150.06802	2.6
161.04552	5.4
164.04832	14.2
179.10791	5.2
181.42146	1.5
187.93898	1.5
190.02736	1.7
191.05522	2.0
205.05084	2.0
223.06125	20.2
227.70302	1.4
277.21719	1.8
318.02368	1.3
337.23788	2.0
345.22522	1.5
352.66803	1.4
460.76471	1.6
499.29269	100.0
525.34406	9.6
543.28284	1.7
621.21814	11.8
657.37885	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42249	0.6
55.01875	1.0
57.25750	0.7
59.01384	49.1
61.98829	3.1
69.57724	0.7
71.01376	28.4
72.99314	0.7
73.02953	8.7
83.01389	3.5
85.02944	13.4
89.02433	6.4
93.03431	1.0
95.01365	1.5
97.02947	0.7
99.00875	3.4
101.02438	23.8
110.75420	0.8
111.00858	0.7
113.02429	13.4
119.03510	1.4
150.09944	0.7
152.99678	1.0
159.02979	3.2
161.02448	1.0
161.04555	11.9
170.60754	0.7
190.53680	0.6
196.66899	0.8
198.56898	0.7
277.21667	2.9
345.21918	0.8
409.19080	0.8
446.40521	0.9
499.29205	100.0
632.26996	0.8
657.35321	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38365	0.5
55.01881	1.1
59.01384	30.8
64.82128	0.5
65.65416	0.5
71.01377	17.6
73.02945	7.5
76.20956	0.6
83.01394	3.6
85.02927	9.0
87.00882	0.9
89.02439	13.3
95.01395	1.1
99.00877	3.1
101.02441	21.4
103.20704	0.6
103.68710	0.6
113.02457	10.0
113.38268	0.6
118.14915	0.7
119.03535	4.5
125.02455	0.9
134.45889	0.7
145.02937	0.8
159.03006	0.9
161.04587	4.1
166.81110	0.6
243.98891	0.6
251.12402	0.6
271.25513	0.6
277.21780	2.6
337.23917	1.0
499.29199	100.0
657.35852	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14964	1.0
59.01381	1.9
80.05064	2.3
89.81308	0.9
96.04555	6.8
112.14750	0.9
122.02480	3.7
122.06110	4.7
123.05652	1.8
124.07657	5.7
127.89514	0.9
129.09973	1.1
136.20026	1.1
138.61259	0.9
148.04045	14.5
149.23132	0.9
150.01949	10.2
150.05603	100.0
159.62227	0.9
164.48846	1.0
168.06630	2.3
176.03531	2.0
187.12444	1.4
199.05177	1.1
200.05829	1.7
203.08290	15.1
211.08884	1.4
213.10355	17.2
214.08688	5.1
214.48532	1.1
215.08301	6.8
219.26903	1.0
228.05382	1.3
229.09787	1.6
231.11403	17.3
239.08235	5.2
242.06970	1.2
255.07710	2.0
257.09314	27.4
275.10361	2.1
280.62180	0.9
281.28516	3.8
283.07278	8.0
301.08224	1.5
483.40616	1.0
609.30548	1.1
613.38678	58.8
657.37622	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47573	1.1
54.52388	1.1
75.73660	1.3
81.59544	1.3
96.04514	1.7
104.05094	1.7
107.05070	1.7
107.25461	1.2
120.65558	1.5
122.06110	2.2
146.56041	1.4
147.14409	1.7
148.04063	11.9
150.01982	25.1
150.05611	100.0
203.08243	2.9
211.08839	1.7
213.10365	18.5
214.08722	8.1
215.08270	1.8
229.09680	10.2
231.11403	1.5
239.08263	5.9
257.09344	24.7
257.77634	1.8
268.18246	1.7
277.21652	2.1
283.07330	2.7
289.60355	1.8
293.28540	15.4
301.08359	3.4
353.95898	1.7
434.27402	1.4
613.38763	49.0
657.37610	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97552	0.3
55.17335	0.3
59.01383	20.0
64.06386	0.4
68.56403	0.4
75.05251	0.4
82.10969	0.4
97.02953	4.4
148.71231	0.4
172.05019	0.5
253.21753	100.0
287.86859	0.4
335.74469	0.5
343.14081	1.9
351.25491	1.7
597.36530	1.6
619.39380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	1.0
59.01383	17.2
67.15703	0.9
71.35967	0.9
78.95892	1.2
91.48823	0.9
95.94244	1.0
101.02436	1.1
110.92133	1.0
116.92826	2.3
121.47119	0.8
124.40926	1.1
141.01700	14.6
146.43727	1.0
153.58516	1.0
179.03465	1.2
210.44833	1.0
251.23820	100.0
269.24835	1.9
295.22836	57.6
313.23901	60.0
381.65323	1.1
452.42325	1.1
548.18732	0.9
621.40253	1.3
657.38647	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07140	1.1
55.29520	1.0
58.71309	1.2
59.01375	1.3
87.00955	1.1
88.95281	1.3
89.02454	1.3
92.67146	1.2
136.05321	6.8
150.06863	18.7
150.14668	1.2
165.09215	5.7
179.10747	14.4
190.36340	1.4
194.57373	1.3
230.62892	1.3
291.17261	1.5
315.21790	12.7
329.23294	2.9
333.20651	9.5
434.30106	4.4
448.31976	1.3
449.32779	18.5
477.32520	7.1
494.32535	8.1
495.33347	61.9
521.06250	1.6
657.38745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85400	1.0
55.55062	1.0
58.59566	1.0
61.98834	38.8
83.57537	1.1
140.07172	5.6
155.08238	2.3
213.19798	2.6
222.16023	1.3
242.18765	2.5
261.33035	1.3
270.21918	2.7
283.17468	1.8
311.24500	2.7
323.24603	1.7
356.26691	4.4
394.28198	2.3
421.35706	8.5
439.36661	6.7
577.44452	2.9
593.43933	15.6
621.43573	100.0
657.41571	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4132
Annotation	Fucoxanthin
Peak:m/z	Relative Intensity
51.34576	3.8
95.29069	3.8
99.79253	3.8
114.47938	3.5
149.17245	3.6
152.03432	3.6
157.40244	3.5
173.83966	3.7
182.67238	4.0
247.07256	89.1
285.08835	4.7
313.86417	3.9
319.09418	4.5
425.39539	4.2
440.23993	3.7
455.86533	4.1
597.39166	28.2
657.41364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
88.33843	2.5
90.98509	2.1
96.57339	2.1
111.08067	2.4
137.09695	9.3
138.47845	2.4
171.10239	29.5
183.13963	3.9
197.11855	13.9
199.13513	3.1
201.11334	3.9
209.15453	2.6
211.13417	15.1
217.26085	2.6
225.15024	5.6
229.14401	10.9
251.16527	2.7
311.13516	2.6
327.21835	100.0
329.23331	35.5
348.58789	3.0
443.72522	3.1
477.35928	13.5
657.42902	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84031	5.3
55.09612	4.6
60.21943	4.6
61.98826	11.7
66.64919	5.4
76.53929	4.9
94.04603	5.1
107.98293	5.3
171.64568	5.0
179.10805	49.7
181.12360	27.6
199.13435	32.1
199.26689	5.5
246.84087	5.9
247.07260	48.7
249.71524	5.3
257.05676	10.0
277.18204	26.2
277.21719	100.0
293.17441	6.6
295.19110	9.2
325.68039	6.8
335.26221	7.7
361.24020	6.5
379.25018	68.1
597.39282	9.0
657.39880	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74576	0.5
71.01392	0.8
72.99301	50.8
74.92258	0.5
77.18327	0.6
89.78297	0.6
96.26462	0.5
106.04231	4.2
114.02097	0.6
123.04510	23.0
135.04518	30.0
151.03908	1.1
158.66425	0.7
179.03491	56.0
197.04555	100.0
214.10849	0.8
298.14377	5.2
321.59641	0.6
346.32761	0.6
453.12689	0.6
460.20041	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39117	18.8
59.01376	28.6
67.21899	17.9
68.61264	18.8
73.07336	17.4
92.88850	20.0
96.96052	49.7
164.60507	19.8
178.95045	26.7
217.00266	100.0
225.23640	27.2
229.12822	19.8
287.55688	23.8
337.02896	23.1
608.40521	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07035	0.6
58.02979	5.0
67.53741	0.8
74.02493	3.1
74.89383	0.7
84.04548	4.1
89.73980	0.7
92.05016	1.1
98.02483	3.8
110.02526	1.1
112.72754	0.8
115.48269	0.6
116.03548	6.5
116.92896	1.1
128.03543	17.5
131.03760	5.1
132.04541	13.5
133.03305	0.7
140.05090	0.8
144.04533	6.5
146.06177	0.8
151.84451	0.8
157.07701	9.2
158.06113	15.4
169.32123	0.7
173.04559	3.4
175.08797	15.4
179.03500	1.8
189.06732	1.6
191.05548	1.0
199.08821	3.1
201.06723	5.1
217.09811	5.8
219.07768	23.1
243.07756	1.7
261.08829	100.0
305.07825	8.4
323.73273	0.9
336.72003	0.8
338.55176	0.8
352.01566	0.8
353.08817	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14194	0.9
57.20009	0.9
72.68224	1.1
72.99299	7.7
78.62215	1.2
83.05029	10.0
88.02680	1.3
111.04504	17.9
115.03997	7.6
122.58666	1.2
126.35946	1.4
127.04004	68.2
129.05557	4.7
134.03696	1.8
135.02998	4.2
135.04509	2.0
137.02422	1.3
152.20688	1.1
155.03499	79.1
161.02440	6.4
165.68857	1.4
171.02945	1.7
179.03490	2.1
199.00612	1.8
199.01141	1.5
199.02484	61.1
217.03531	100.0
291.63763	1.4
341.65097	1.2
425.68378	1.2
441.13937	5.4
442.14407	7.4
454.19415	1.5
552.76770	1.3
647.39764	1.3
658.83038	1.4
659.22809	1.1
659.26599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44005	0.2
57.83165	0.2
62.63901	0.2
65.00067	0.2
108.02168	6.7
108.08971	0.2
115.02362	0.2
121.78168	0.2
123.04508	9.9
125.02402	0.3
152.01141	19.4
164.07190	1.0
167.03488	100.0
169.01447	1.5
170.01779	0.5
188.22810	0.3
239.06882	0.3
275.31314	0.3
301.81052	0.3
329.08823	6.9
331.06384	0.3
585.23425	0.3
588.03906	0.3
659.19543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68979	1.1
56.35905	1.2
62.75165	1.5
72.99300	33.7
93.03468	1.6
108.02168	9.0
109.02944	2.3
121.02929	1.6
122.03739	9.1
123.04510	23.5
128.36038	1.5
134.28900	1.4
135.04524	11.5
137.02475	5.3
147.36948	1.6
152.01132	16.4
153.01941	12.4
167.03491	87.7
179.03513	37.4
181.05086	17.1
189.74973	1.5
197.04561	100.0
202.73299	1.4
215.05627	1.7
223.77937	1.6
230.88795	1.5
256.21567	1.6
268.61609	2.0
301.59158	1.6
315.07187	6.9
329.08829	29.3
343.10370	9.2
359.09882	84.7
659.18243	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
72.05696	0.7
72.99303	17.0
81.03419	1.2
83.05022	16.7
90.37558	0.9
111.04516	22.3
115.03985	8.1
122.98583	0.7
127.04003	62.0
129.05577	7.5
137.02434	3.7
137.14087	0.9
155.03496	54.0
163.03987	3.5
164.07280	1.1
171.03035	5.4
173.04478	0.9
175.97719	0.8
189.04060	3.2
191.05652	1.9
199.00798	1.4
199.02495	24.9
202.32207	1.1
217.03546	100.0
225.24005	0.9
293.09656	1.0
303.48862	0.9
337.08813	0.9
428.71426	1.0
641.17389	1.4
659.18396	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03294	0.6
54.61145	0.6
55.92234	0.6
56.97530	0.8
71.49377	0.7
72.99304	32.2
85.64283	1.0
94.99556	0.8
95.11174	0.7
109.02943	4.7
109.05489	0.8
111.26395	0.8
122.03712	8.8
123.04530	7.5
135.04515	10.0
151.03955	1.5
153.01924	17.6
163.04053	1.0
167.03468	1.1
179.03493	37.3
181.05057	10.2
197.04558	100.0
221.19316	0.9
261.07806	1.0
273.07666	1.4
315.07208	5.0
321.67426	0.9
329.08856	7.6
329.58289	1.0
343.10339	7.8
359.09866	75.0
659.18396	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54945	0.8
71.40591	0.7
72.99293	7.6
83.05013	8.6
111.04511	15.8
115.03986	6.3
127.04005	57.7
129.05602	5.3
135.02975	5.8
135.04529	1.1
136.68304	0.7
137.02440	1.6
141.62927	0.7
155.03505	74.0
171.03033	1.3
173.04518	0.9
179.03499	1.3
189.03976	1.3
191.69817	0.7
199.02490	51.2
199.75716	0.7
217.03534	100.0
251.39778	0.8
590.60730	0.8
621.63190	0.9
659.22174	5.7
687.78314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01971	0.6
60.77060	0.7
72.99303	21.8
105.74907	0.9
111.00848	1.2
116.92858	1.2
123.04525	4.5
135.04485	7.2
137.02444	100.0
163.04039	1.1
179.03494	25.7
181.05092	9.6
197.04570	76.9
273.06082	1.0
299.07767	21.3
317.05087	1.0
343.10391	8.2
359.09879	66.4
389.69443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2008
Annotation	Glycobismine G
Peak:m/z	Relative Intensity
57.68419	1.2
65.56229	1.0
75.00869	6.0
103.00369	4.1
124.49068	1.0
220.63953	1.0
225.59724	1.1
263.72665	1.0
294.51321	1.2
455.16675	1.3
456.18140	1.9
468.18149	23.3
469.18750	5.0
473.18536	2.4
479.17761	1.3
481.15195	2.2
483.20590	17.7
488.17395	2.5
493.18594	1.6
496.17783	18.0
500.17117	7.2
510.14948	9.8
511.20224	14.9
512.13513	7.8
512.20404	2.2
524.17059	4.0
526.15039	12.9
527.15741	5.8
528.16125	3.2
536.41492	1.2
555.19031	2.4
583.18610	1.6
587.21429	6.6
599.17957	4.6
600.18707	2.6
615.21289	10.4
627.17297	6.8
659.20105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34569	1.7
72.40026	1.7
72.99310	47.3
77.79698	2.0
84.59966	1.6
86.66497	1.7
87.91722	1.8
92.15852	1.9
99.00852	2.5
111.71758	1.7
123.04536	24.3
133.01460	4.0
135.04529	27.2
138.05890	2.0
151.04013	2.1
156.76456	2.2
176.16675	1.8
179.03502	44.2
197.04562	100.0
461.16702	10.4
658.80615	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14225	0.5
67.06841	0.4
72.99314	1.7
79.32282	0.5
91.82933	0.5
104.47446	0.5
113.02380	0.5
116.72720	0.5
123.00890	0.8
123.04472	0.8
133.01422	1.1
137.02403	0.7
138.03246	6.3
151.03975	1.9
153.05545	5.1
166.99831	2.0
169.68790	0.5
179.03485	0.7
182.02229	28.7
197.04565	100.0
221.87921	0.5
355.61783	0.5
359.09869	8.8
659.18829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32021	0.3
63.28138	0.3
67.09913	0.4
72.99289	3.7
84.05913	0.3
93.03455	1.7
110.21091	0.4
113.33258	0.4
119.04988	2.8
123.04546	0.7
131.17064	0.4
135.04515	5.0
137.02435	6.8
153.05568	5.5
163.04007	17.0
170.08270	0.4
179.03520	2.3
181.05070	100.0
197.04552	5.3
209.23055	0.4
231.13670	0.4
245.92059	0.5
299.07773	0.8
343.10358	61.1
359.09854	3.1
448.84113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59970	1.2
59.01374	9.2
69.13306	1.2
71.01385	6.3
72.99302	63.5
73.02944	1.6
89.02447	12.9
89.66861	1.6
99.00872	19.4
101.02433	7.5
113.02440	8.7
119.03477	3.2
123.04507	28.1
124.92718	1.6
135.04530	35.0
149.06026	1.3
151.03957	2.2
179.03516	66.0
191.05669	2.6
197.04575	100.0
202.56879	1.5
209.32195	1.4
218.98091	1.8
420.70737	1.6
461.16711	83.4
461.26535	2.1
523.94910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14225	0.5
67.06841	0.4
72.99314	1.7
79.32282	0.5
91.82933	0.5
104.47446	0.5
113.02380	0.5
116.72720	0.5
123.00890	0.8
123.04472	0.8
133.01422	1.1
137.02403	0.7
138.03246	6.3
151.03975	1.9
153.05545	5.1
166.99831	2.0
169.68790	0.5
179.03485	0.7
182.02229	28.7
197.04565	100.0
221.87921	0.5
355.61783	0.5
359.09869	8.8
659.18829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51249	0.5
61.66517	0.5
72.99310	5.6
93.03457	0.6
108.02228	0.6
108.38667	0.5
118.74139	0.6
119.05020	3.0
123.04514	2.5
135.04556	6.0
152.01140	2.4
153.01952	6.8
163.04022	14.6
167.03479	11.7
179.03496	3.6
181.05081	100.0
197.04567	12.6
256.77982	0.6
260.93085	0.5
275.73755	0.6
315.07196	3.7
329.08667	2.1
343.10376	57.3
359.09894	9.9
366.54144	0.7
449.69791	0.7
562.78442	0.6
659.20978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.6
71.01366	11.9
72.99304	57.1
89.02427	12.7
101.02420	5.8
113.02430	5.5
119.03461	1.7
119.47058	1.2
123.04527	13.7
135.04536	18.3
179.01910	2.1
179.03506	64.9
195.06595	1.4
197.04575	100.0
332.34937	1.5
387.58331	1.2
436.16827	1.1
479.15634	48.1
659.22064	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95023	1.0
59.01384	18.1
62.72390	0.9
62.99411	1.0
71.01379	10.8
72.99306	60.5
85.02957	2.0
89.02437	11.7
91.47602	1.2
101.02438	6.8
113.02460	5.2
119.03498	1.8
123.04516	11.5
135.04523	17.7
179.03513	62.2
193.05153	1.2
197.04573	100.0
341.08734	1.5
479.15674	44.5
651.27606	1.4
659.22089	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87461	1.4
54.60767	1.6
58.02980	2.3
58.53679	1.6
63.08706	1.5
66.88216	1.4
68.74270	1.8
72.99301	46.6
74.02463	4.0
94.26580	1.8
97.05750	1.6
99.05648	7.1
115.00385	6.1
123.04522	21.8
128.03525	15.3
133.01425	17.5
135.04546	26.6
143.04614	24.4
143.59961	2.0
179.03491	49.3
197.04584	100.0
210.08852	2.2
227.72467	1.8
227.97452	1.6
254.07828	3.0
272.08948	10.3
371.08435	2.7
438.41937	2.2
440.52835	2.3
461.16867	12.6
659.20313	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
61.61399	1.3
67.22379	1.1
71.01395	4.5
71.34322	1.0
76.24498	1.1
84.75703	1.2
89.02418	1.6
101.02435	4.5
112.61991	1.3
113.02419	1.5
145.91476	1.2
151.03964	2.0
153.01959	1.7
164.04814	7.4
165.05653	1.7
166.02705	1.7
168.04286	5.7
179.03471	7.4
179.07121	20.7
180.04228	2.4
180.07935	19.2
191.07158	1.6
193.05112	1.4
194.05684	1.4
195.06627	8.0
203.07069	1.7
225.07715	5.7
229.14423	2.9
267.08801	19.9
281.04581	1.9
285.07623	6.7
297.09830	93.1
300.06387	10.4
300.10034	6.0
301.07214	14.5
313.07111	4.9
315.08777	100.0
316.09552	7.7
317.10168	1.5
330.11136	35.3
331.08322	3.0
331.11981	10.1
335.22430	1.7
346.10513	2.0
347.11224	6.7
361.12967	63.1
497.27600	5.6
601.91504	1.6
659.33185	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2356
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01384	3.2
65.88212	1.4
69.40736	1.5
77.67615	1.4
81.20472	1.4
86.20480	1.4
87.68712	1.5
89.02434	2.3
90.42113	1.7
94.52349	1.5
96.07623	1.8
111.00766	1.7
123.00867	2.0
138.03215	9.8
139.00404	26.6
144.82710	1.9
153.01939	25.6
153.05612	4.1
164.11023	1.7
165.01889	21.5
166.02669	12.5
169.20433	1.6
179.03546	6.4
180.04282	50.8
181.05106	3.7
192.04318	3.0
193.04988	2.4
194.05907	3.9
195.06642	46.7
206.02232	2.2
207.06612	15.2
210.05397	15.1
221.04631	8.7
222.05348	20.3
225.07735	2.4
234.05435	1.7
235.06175	2.2
236.06892	3.9
237.07701	40.7
249.07718	1.8
326.37970	1.7
335.22385	2.2
344.12943	1.9
403.13974	6.5
432.14853	2.6
611.94952	1.8
625.61841	2.2
629.22333	45.8
629.31891	2.6
641.22723	15.7
659.23669	100.0
659.33081	5.7
684.92542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35518	0.3
60.05930	0.3
65.21842	0.3
66.85842	0.4
79.80888	0.3
93.03448	31.9
96.39799	0.3
137.02441	100.0
202.18352	0.3
287.57748	0.3
315.23819	0.3
320.62149	0.3
341.56070	0.3
346.70825	0.3
387.55307	0.3
421.36166	0.3
479.26505	0.4
659.33014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45457	0.6
57.72064	0.7
59.01379	45.0
71.01376	25.9
73.02936	0.9
81.94650	0.8
83.01383	0.7
85.02937	5.0
88.11044	0.8
89.02436	44.6
95.01378	1.6
97.02936	8.8
101.02432	20.6
113.02440	13.9
119.03475	18.4
133.05034	1.2
161.04587	1.0
179.05612	1.2
191.05548	0.9
256.40683	0.8
277.09286	100.0
513.47363	1.0
593.87292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74456	0.2
62.78402	0.3
78.95929	0.5
87.00800	0.2
92.22546	0.4
123.11230	0.3
162.68498	0.2
211.07651	2.5
226.10033	0.5
227.10794	100.0
232.37523	0.3
283.13425	11.8
283.98062	0.2
301.14410	4.2
303.46603	0.3
511.24942	6.7
511.31784	0.4
577.26978	1.2
585.28662	40.3
607.66779	0.3
659.32233	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	0.7
59.01384	8.9
59.11963	0.5
71.01380	8.4
73.02959	0.6
82.95411	0.6
83.01418	0.6
85.02961	2.4
87.00859	0.6
89.02455	6.0
94.42749	0.6
95.01360	0.8
99.00871	1.1
101.02456	8.6
113.02442	6.0
116.51707	0.6
119.03488	2.6
125.02438	0.6
130.32394	0.6
131.03503	2.1
131.28844	0.5
139.49948	0.6
143.03462	0.7
159.02908	0.7
159.98206	0.5
161.04556	2.7
221.06662	1.3
275.20206	6.1
317.21280	11.4
335.22339	20.4
394.85931	0.7
479.26511	3.3
497.20361	1.1
497.27670	41.9
659.32996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.3
71.01380	12.5
73.02921	2.0
78.20869	1.2
85.02932	2.1
89.02431	8.0
101.02458	11.7
113.02431	7.7
115.04021	1.3
119.03529	2.4
131.03564	1.7
151.97908	1.2
161.04579	1.9
179.05580	3.2
214.83308	1.2
221.06622	2.2
275.19958	3.1
317.21249	11.9
335.22314	21.4
375.82108	1.7
393.10168	1.5
428.97415	1.3
479.26501	3.1
496.03259	1.5
497.20374	1.7
497.27594	38.5
547.37347	1.3
659.32977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3574
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
51.81018	11.1
54.02568	10.2
59.06952	10.9
64.53601	10.8
67.42851	11.9
71.78554	12.2
74.07034	10.5
81.44885	11.8
89.51206	12.1
90.70452	16.5
92.22530	26.6
96.64846	14.5
98.35692	12.7
144.84221	13.9
167.29260	16.9
183.34325	12.6
255.22978	14.4
263.60825	14.3
335.95779	17.2
412.83093	15.1
442.65030	16.7
509.76804	15.4
659.35876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.358
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
57.20021	9.8
61.48059	11.1
78.95914	28.3
97.02947	13.5
111.63779	12.2
152.99593	21.9
198.15170	17.7
276.08450	12.3
281.25012	18.5
349.14276	13.6
455.54425	14.8
494.85471	14.8
595.82642	14.9
659.35284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69712	8.5
59.01373	10.8
61.98838	9.4
71.65863	9.9
78.95919	42.4
80.29044	10.9
142.61049	9.8
152.99567	14.0
160.16599	11.5
208.46626	12.8
228.15985	10.9
255.23204	17.3
259.08295	11.5
281.24890	18.5
302.27490	13.1
504.60037	11.7
526.97687	10.3
539.07709	11.5
659.37268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3944
Annotation	Neurosporaxanthin beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.12019	3.7
53.90195	3.8
54.22813	4.1
59.01369	6.3
61.26423	4.1
63.46794	3.8
66.94477	3.8
77.43535	4.1
78.95907	18.0
117.09883	4.7
152.99602	7.5
207.33186	4.7
324.03183	4.8
534.36084	4.7
659.26843	8.9
659.38977	100.0
685.30182	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80681	1.1
59.01385	20.2
94.45801	1.1
97.02935	2.5
99.15465	1.2
136.98218	1.1
149.04306	1.1
185.22214	1.3
210.65176	1.3
255.23311	100.0
343.13910	2.2
413.45929	1.5
418.09525	1.3
489.84204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70526	0.5
59.01384	33.7
59.01685	1.1
92.65751	0.8
96.86438	0.8
97.02950	1.5
137.57968	0.8
174.27068	0.7
192.36845	0.6
203.64993	0.7
207.30074	0.7
255.23317	100.0
266.52744	0.7
267.43414	0.8
348.81802	0.7
353.27219	1.2
435.81760	0.8
581.48260	0.7
599.37769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04876	0.4
59.01364	0.5
60.35733	0.4
71.01379	1.1
73.02953	0.7
74.12664	0.4
75.48643	0.5
77.72443	0.4
85.02967	0.9
91.85622	0.4
92.16454	0.4
101.02423	0.6
107.40270	0.5
108.01431	0.8
108.02167	20.6
109.02951	13.2
119.58530	0.4
120.50548	0.5
121.02947	0.5
123.04526	0.5
129.28056	0.4
151.03992	2.1
152.01154	53.1
153.01933	23.9
163.04016	1.8
165.01947	2.3
315.07263	100.0
431.93018	0.5
512.75049	0.6
660.22583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00678	0.5
59.01384	6.3
61.98823	3.2
71.01376	4.4
85.02943	0.8
89.02448	7.3
99.00887	4.6
101.02461	4.0
105.54871	0.6
106.29330	0.5
113.02419	4.3
119.03496	1.0
121.02937	2.3
147.04521	5.9
149.02449	35.4
149.04356	1.2
160.07677	0.8
164.04797	95.3
179.07129	7.7
190.02731	11.7
191.05551	1.1
194.05643	0.5
205.05066	19.0
208.03773	9.0
223.06133	100.0
322.12952	1.0
361.57220	0.6
436.16113	6.1
454.17230	3.5
660.23071	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34875	0.3
58.88982	0.4
59.01383	0.7
60.67542	0.4
61.98832	100.0
69.35088	0.4
71.50868	0.5
76.60015	0.4
78.95892	0.7
81.62271	0.4
83.25189	0.5
111.15536	0.4
126.62503	0.5
158.06104	0.5
164.47041	0.4
215.77577	0.5
217.39604	0.5
253.21843	1.0
254.22099	0.8
255.22507	0.6
420.04355	0.6
542.72815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
71.01365	1.2
72.98562	0.5
73.02946	0.6
75.53692	0.6
87.29961	0.5
101.02435	2.9
113.02370	0.7
113.82243	0.5
144.49579	0.6
153.12859	10.3
161.04520	1.0
164.24644	0.5
196.13388	0.8
197.10194	1.0
197.11841	14.8
214.14510	100.0
215.12886	6.2
297.09744	2.2
298.10098	1.0
313.16638	1.1
313.90625	0.5
315.08728	2.1
316.09186	1.3
362.13513	0.7
427.92532	0.5
445.20837	9.3
473.96173	0.5
640.82135	0.6
660.33008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48283	0.5
65.39564	0.5
69.03450	10.3
71.01379	4.8
72.99322	1.4
78.98197	0.6
85.02936	1.5
87.00864	1.4
97.02338	1.1
97.02941	25.0
115.00330	3.0
129.01965	1.1
136.52303	0.7
141.01933	5.7
159.03029	0.7
193.05058	1.4
203.01988	100.0
284.06760	0.7
296.00470	0.7
412.41083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89186	0.6
53.70482	0.5
58.30675	0.6
59.01377	1.4
59.81171	0.5
61.98799	0.7
63.91341	0.6
64.14355	0.6
71.01382	0.6
72.10515	0.5
74.85059	0.5
75.00897	0.7
80.42311	0.7
131.11507	0.7
134.03731	1.4
151.11259	8.5
190.02620	0.8
193.05092	0.6
205.05084	1.6
213.11383	5.1
258.28528	0.6
268.03815	12.5
269.04587	100.0
311.05347	0.7
335.12592	1.0
397.09146	1.4
594.73871	0.7
661.17664	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89363	0.2
58.65133	0.3
65.55194	0.3
70.52432	0.3
73.68681	0.3
77.19495	0.2
78.95917	4.7
79.47056	0.3
79.95737	1.4
84.15762	0.3
94.85960	0.3
94.98100	0.3
96.96008	100.0
96.96920	12.4
103.36381	0.3
104.10671	0.3
116.60092	0.3
146.19238	0.3
215.27229	0.3
274.38757	0.3
389.99619	0.3
557.15656	0.4
666.69995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.199
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66573	1.1
72.99306	30.1
78.95898	19.9
92.26672	1.2
96.96957	7.0
100.69128	1.3
123.04500	6.8
125.55077	1.3
135.04533	7.6
179.03502	31.8
197.04576	100.0
300.05026	13.0
301.05215	7.2
359.09900	74.1
458.05551	1.3
514.34796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2147
Annotation	BK 223B
Peak:m/z	Relative Intensity
50.79972	0.7
53.84576	0.6
60.69727	0.8
75.06780	1.0
92.23070	1.3
117.03451	1.9
134.03735	48.6
135.04573	1.4
143.95750	0.8
149.02393	4.3
149.06113	8.8
160.01617	7.7
161.02489	1.2
163.28532	1.0
164.04802	7.9
164.06099	0.8
175.00313	1.9
175.03987	11.5
176.01164	2.0
176.86526	0.9
178.02704	1.0
179.07114	0.9
187.77982	0.9
190.02736	38.3
191.03484	5.5
193.03381	1.1
193.05075	31.3
194.20459	1.1
197.16824	0.9
205.05067	52.0
223.06181	7.4
300.15656	0.8
304.52557	1.0
455.15750	1.2
467.15796	10.1
485.16336	1.1
661.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.9
59.72097	0.4
67.01878	4.3
71.01383	4.6
85.02948	3.1
89.02426	5.5
101.02439	3.9
109.39367	0.5
111.00871	100.0
113.02443	3.2
113.04643	0.6
115.27440	0.6
119.03501	2.5
127.05623	0.8
129.01958	0.7
143.05058	2.0
145.06602	0.5
151.04013	0.7
173.06073	16.3
179.05646	3.6
181.05011	0.7
191.07237	0.5
203.07213	0.6
217.05170	2.0
220.48782	0.6
238.97873	0.6
247.06165	12.9
255.75117	0.6
291.07233	2.1
309.37851	0.6
311.39972	0.5
387.14722	0.9
398.14859	0.7
413.14618	6.8
531.18860	1.0
661.22705	4.8
661.34644	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26112	1.9
55.85700	1.7
57.32279	2.1
62.39163	1.8
71.46807	2.0
73.17365	1.9
77.72033	1.9
78.95898	2.2
104.72204	1.8
122.03715	10.4
123.04565	2.9
123.73235	2.2
134.03735	24.6
135.04561	19.9
147.04515	18.9
148.05293	12.7
149.04828	9.0
149.06078	29.4
152.07191	5.0
160.04045	9.1
162.06885	33.6
170.05330	2.1
175.03972	4.7
176.03584	4.2
177.04295	20.0
178.05127	22.0
189.04324	3.2
190.05099	4.8
192.06631	17.6
194.08331	2.7
204.06619	15.1
209.14589	2.2
224.44296	2.3
280.67963	2.2
313.09460	2.4
325.09750	3.7
327.11157	65.6
328.11975	74.9
340.11835	3.2
353.40045	2.3
457.21652	2.2
466.13138	3.2
635.64160	2.3
652.22736	3.0
661.22021	100.0
661.32764	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.6
59.90377	0.7
98.76097	0.7
101.02435	2.9
104.68011	0.8
134.03683	7.2
149.06047	1.8
160.01662	15.0
165.12723	0.9
175.03998	100.0
178.02821	1.1
193.05080	17.7
212.40182	0.8
286.69241	0.8
343.84222	0.8
421.40613	0.9
424.13577	1.4
438.21301	0.9
439.16129	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75900	0.7
53.81684	0.7
57.70937	0.8
59.01386	1.1
71.01373	1.4
72.99279	0.9
73.93915	0.9
76.96467	1.0
86.99613	0.9
89.02479	1.1
91.37214	0.9
97.90274	1.1
101.02471	1.5
134.03738	5.5
149.06126	1.7
160.01656	13.5
175.04008	100.0
193.05081	17.1
439.16144	83.2
439.22198	2.3
479.59787	1.1
530.14404	1.1
582.39569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91697	0.4
56.66498	0.5
59.01104	0.6
59.01383	11.4
71.01373	0.8
85.02939	0.5
89.02436	0.7
89.51340	0.5
101.02447	1.1
134.03757	6.5
149.06075	2.6
160.01648	15.6
175.04004	100.0
178.02695	0.8
193.05072	16.8
201.39268	0.6
207.06630	0.7
235.06114	1.2
370.07413	0.7
439.16141	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97570	7.2
59.01390	1.4
66.17542	1.2
70.42570	1.1
71.01357	1.0
81.56001	1.0
88.98811	1.6
133.75085	1.0
134.03743	5.6
149.06097	2.5
160.01642	15.3
175.03996	100.0
193.05078	21.8
204.55095	1.3
361.38864	1.3
409.15115	1.2
421.35333	1.1
439.16119	96.5
501.90131	1.2
672.32330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.65091	0.7
63.76474	0.7
71.01388	1.7
75.24159	0.8
89.02457	1.1
89.33789	0.8
101.02457	1.4
118.99644	1.0
134.03732	6.5
136.59415	0.9
144.13470	0.8
149.06064	1.5
160.01674	14.3
175.04004	100.0
193.05083	19.5
424.13577	1.1
439.16156	86.9
646.73657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90458	1.5
59.01385	2.2
65.41951	1.5
77.07420	1.7
85.02962	2.8
88.98807	2.3
94.14463	1.6
113.02431	1.8
137.02426	2.8
138.03236	8.8
153.05598	9.6
163.03995	3.1
164.04750	1.8
165.01915	42.2
166.02721	13.6
175.03967	2.3
179.03481	9.1
180.04294	78.7
181.05042	13.6
187.32027	1.9
191.03506	9.4
192.04189	1.9
194.05833	6.8
195.06638	100.0
203.01758	1.7
203.03503	2.2
205.05086	45.7
206.05832	34.4
210.05357	16.8
219.06644	7.6
220.07416	34.5
221.08209	58.6
225.07671	30.0
233.08249	7.6
241.56494	1.9
269.10287	2.2
286.07584	1.8
358.24020	1.9
372.12302	3.6
387.14624	15.4
405.15408	4.0
417.15503	2.1
435.16608	3.1
477.17642	6.9
495.18546	2.8
550.18768	1.9
565.20825	8.8
595.21863	3.2
613.23053	66.8
625.22729	2.7
643.24188	11.2
661.25153	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00893	2.5
59.01387	5.5
61.95302	3.2
71.01392	4.4
82.13911	2.7
85.02937	2.9
89.02453	3.3
89.32685	2.8
92.23138	3.1
101.02453	3.6
145.08740	3.3
153.05615	3.0
161.02457	17.0
165.01929	37.7
176.04846	23.9
179.03522	45.4
180.04282	88.4
181.05112	4.1
191.05576	10.8
191.07166	11.3
194.05843	100.0
195.06630	90.6
205.05145	13.8
209.08224	74.0
210.05382	25.0
220.07355	6.2
221.08159	7.1
225.07674	48.1
275.11746	5.4
281.45517	3.6
303.18082	3.6
372.12164	4.5
388.71429	3.4
403.13913	18.9
435.16260	4.0
451.16049	42.7
460.22543	3.6
485.12271	3.7
613.22925	27.2
661.24884	19.8
661.34534	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04597	0.7
110.06099	1.2
124.03991	1.0
136.04007	0.8
150.05679	1.1
168.06711	0.8
191.05579	8.6
223.78925	0.8
263.27658	0.8
266.56012	0.9
276.09006	0.9
370.15720	1.1
384.13785	2.8
385.14435	1.4
386.15164	4.6
390.14871	7.0
398.15421	5.6
399.16095	1.7
400.12720	1.3
400.17245	1.1
404.16464	2.7
409.14587	1.2
412.13162	10.7
414.14725	13.7
415.15622	1.3
416.16217	9.7
417.13394	3.2
418.18057	1.5
426.14713	1.6
427.15509	2.9
428.16406	1.1
430.14133	33.0
431.15091	1.1
444.15735	7.4
445.16501	30.6
446.17490	1.9
448.15356	6.6
477.15347	6.9
489.15311	6.9
567.22406	1.7
585.23621	8.5
599.24908	1.8
617.26349	11.2
629.22546	12.3
661.25262	100.0
670.63873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80135	2.2
57.27474	2.2
59.01393	2.1
59.44752	1.8
72.35775	2.1
93.72852	2.2
95.22198	2.3
100.92900	2.2
101.02412	2.7
137.02435	22.7
152.04811	15.2
153.05449	2.6
160.04918	2.6
161.02461	4.7
165.01932	40.8
176.04825	15.9
179.03520	36.5
180.04282	75.1
181.05107	3.2
191.03450	2.9
191.07159	4.6
193.05185	3.7
194.05858	70.4
195.06628	100.0
205.05063	5.5
206.05838	4.0
209.08214	48.7
210.05296	37.0
220.07304	3.8
221.08188	9.4
222.05330	5.6
225.07661	58.3
229.14319	2.8
237.07716	11.3
271.06003	9.5
286.08429	14.0
301.10880	9.6
387.14252	3.1
403.13837	11.8
435.16693	10.2
451.16162	43.4
613.23004	20.9
631.23871	5.7
643.24176	3.1
661.25049	72.3
661.34888	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	47.1
59.28869	0.8
62.16034	1.0
64.79729	0.8
71.01379	28.9
74.79684	0.9
74.97295	0.9
84.75541	0.9
85.02927	5.0
89.02436	44.5
89.02958	1.9
95.01408	1.4
101.02444	27.6
105.21175	1.2
112.76338	1.0
113.02428	14.9
119.03484	22.1
133.92599	1.1
143.03513	1.2
158.67418	0.9
160.04013	1.5
164.06305	0.9
173.04590	1.2
179.03394	1.1
179.05576	2.2
186.32108	1.0
191.05624	7.6
197.04604	1.8
208.37535	1.1
219.02811	1.4
253.15894	1.0
277.06171	1.1
279.10880	100.0
366.08456	1.5
522.53711	1.2
622.33325	1.2
661.19269	1.5
683.72687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	1.1
72.99302	46.2
80.09902	0.6
94.58627	0.6
98.10509	0.7
101.02429	0.9
106.60753	0.8
109.02928	0.7
109.91673	0.7
123.04514	20.8
133.01413	1.0
134.03726	0.8
135.04518	24.7
151.03963	2.9
161.04588	1.4
179.01904	1.4
179.03500	53.0
197.04564	100.0
206.92543	0.8
223.71890	0.8
345.40601	0.7
412.79980	0.8
412.85693	0.7
463.21988	11.6
661.27301	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01105	1.0
59.01381	28.4
61.98822	0.7
63.41004	0.6
71.01009	1.3
71.01379	27.2
72.99295	2.8
73.02934	5.4
83.01373	1.2
85.02949	8.4
87.00861	1.1
89.02435	24.9
95.01351	1.5
96.95003	0.8
97.02943	1.1
99.00864	3.4
101.02436	27.6
113.02454	15.4
116.23066	0.9
117.31999	0.7
119.03500	11.4
123.04533	1.0
137.06075	4.0
142.04242	0.8
161.04543	1.8
165.05586	1.5
179.03549	1.2
179.05632	1.5
180.04268	1.2
194.05861	0.9
195.06583	0.9
209.08205	1.1
237.11281	1.3
399.16617	19.6
413.18448	0.9
423.16937	1.8
441.17850	6.7
621.90417	0.9
661.27191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32406	2.6
59.01385	42.0
71.01378	27.1
73.02950	2.7
89.02442	26.8
101.02433	21.1
113.02422	14.3
119.03483	4.8
155.15387	3.6
177.89905	3.1
194.71201	3.0
194.73134	3.7
327.94470	3.2
345.79471	3.8
357.21259	4.3
437.23373	5.3
455.24521	18.4
542.13123	3.9
549.45398	3.4
617.29858	32.1
661.28485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	2.0
59.01384	48.1
71.01380	23.2
73.02946	2.6
76.48143	1.7
78.95908	1.9
83.01381	1.7
85.02938	6.8
85.61970	1.6
89.02438	29.5
92.23063	1.9
101.02447	20.8
113.02419	10.2
119.03469	8.0
184.78105	1.8
237.14990	1.4
270.67676	1.7
323.20053	11.9
339.19528	2.6
367.19156	9.4
437.23373	9.2
455.24445	9.5
617.29730	48.0
637.19525	2.0
661.28735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96293	1.0
59.01382	24.4
64.62324	1.2
71.01377	23.5
72.96154	0.9
72.99317	2.3
73.02953	4.8
83.01382	1.2
85.02947	7.8
89.02432	33.0
101.02439	25.8
113.02441	16.1
117.34952	1.1
119.03481	14.0
119.07129	4.6
131.03529	1.7
131.04533	3.2
133.01433	2.3
135.04546	1.2
143.03455	2.0
155.73048	1.0
159.02863	1.2
161.04535	11.4
179.03529	1.9
179.05602	2.5
197.04578	5.6
205.10675	1.1
271.17444	1.1
281.12430	100.0
289.79636	1.0
332.66901	1.2
360.54572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88839	2.1
59.01381	32.7
69.97519	2.4
71.01371	26.0
73.02950	3.9
78.95906	30.9
83.01380	4.0
85.02956	5.0
87.00869	31.8
87.74312	2.5
89.02444	40.6
96.94646	2.9
101.02416	20.8
111.16171	2.7
113.02430	25.9
119.03502	11.3
126.42663	2.7
152.99580	34.9
167.08603	2.8
171.00595	12.5
201.50786	3.0
273.22327	4.8
277.21713	100.0
291.23370	12.8
323.09753	18.7
341.10956	44.3
409.48264	2.9
432.05109	3.1
573.40820	3.2
601.32477	83.7
642.45685	3.0
661.27930	17.6
671.11658	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47193	0.4
53.16242	0.4
55.01874	0.6
57.03439	0.4
59.01102	1.0
59.01381	20.7
67.95509	0.4
71.01376	26.4
73.01175	0.5
73.02946	8.4
83.01380	3.5
85.02947	11.5
87.00874	2.7
89.02441	15.4
89.37405	0.4
92.23090	0.6
95.01374	2.4
96.95992	2.7
99.00864	2.0
101.02438	24.6
102.54890	0.5
102.66156	0.5
111.00874	0.6
113.01660	0.6
113.02440	14.1
115.06603	0.5
117.00127	0.5
119.03486	5.0
131.03511	0.8
133.05066	1.8
143.03529	0.8
159.02982	2.3
161.04564	6.3
174.40172	0.6
201.40581	0.6
232.41867	0.6
277.21625	2.4
332.55743	0.5
337.23776	0.7
363.90680	0.5
376.98425	0.5
499.29269	2.7
603.00610	0.6
615.37567	0.6
623.84601	0.6
661.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43110	2.3
54.26188	2.0
59.01381	46.8
65.90913	2.2
71.01383	22.7
74.10483	2.3
78.95903	26.9
85.02952	4.1
87.00861	4.8
89.02436	52.7
90.43555	2.4
95.01395	3.2
99.00872	3.0
100.72005	2.3
101.02424	19.2
101.65023	2.3
107.08511	2.6
113.02444	16.6
117.60028	2.4
119.03488	15.9
121.31442	2.6
125.57946	2.5
136.86259	2.4
152.99586	25.4
171.00659	9.8
179.05611	5.8
277.21744	100.0
279.73764	3.0
309.15707	2.5
323.09863	21.3
341.10867	41.8
400.34933	2.6
601.32440	86.2
661.27570	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74766	0.3
58.00597	0.3
59.01384	5.6
59.65668	0.3
60.99301	0.4
61.98832	0.4
71.01385	2.2
73.02959	0.3
76.38274	0.4
89.02444	3.0
94.82069	0.4
101.02438	1.7
113.02431	0.9
119.03507	0.4
119.08650	1.6
123.27060	0.4
154.04668	0.3
158.79381	0.4
210.80045	0.4
267.20541	0.4
313.22540	0.5
329.23401	0.4
333.39618	0.4
403.26318	3.8
419.23917	0.7
419.29623	19.1
423.29688	0.4
437.24756	0.5
437.30618	17.0
453.30200	1.7
454.30972	0.6
455.31766	2.0
467.79913	0.4
481.29529	0.6
499.30701	26.2
541.31781	1.8
554.28217	0.4
604.53479	0.4
661.36072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75107	0.7
59.01378	4.6
61.17632	0.8
62.82220	0.8
71.01385	1.6
74.82674	0.8
89.02435	1.7
101.02453	1.8
108.69830	1.0
113.02431	1.9
123.73656	0.9
210.96860	0.9
323.94904	1.0
334.30554	0.9
391.50244	1.1
437.30707	1.3
499.30423	8.0
540.65576	1.3
661.36133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94938	11.8
58.74870	9.3
75.35429	9.7
103.93985	9.3
111.74888	9.7
125.41062	12.6
196.33609	12.2
199.11418	10.1
233.15244	11.1
245.36716	12.4
254.12024	10.3
281.52777	10.6
569.87897	12.0
661.37085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	57.6
92.22488	12.7
151.03906	10.9
186.15749	9.1
255.05086	11.4
283.26517	14.2
472.91791	10.8
661.36713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76234	1.0
55.25967	0.8
67.48832	0.9
93.97235	1.2
113.39333	1.3
133.02968	13.0
137.02486	1.0
147.04558	6.9
148.05293	4.0
153.05603	1.1
160.01663	6.2
162.06879	10.7
175.03990	29.3
177.01926	11.9
205.05090	1.1
258.67200	1.0
258.69955	1.0
646.38739	23.8
661.41290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97300	1.2
65.56350	1.3
69.62115	1.3
78.95901	9.4
79.41090	1.4
82.04544	1.3
97.06561	3.4
113.23195	1.6
123.08187	2.1
125.08834	3.1
125.09718	81.6
146.04515	1.4
152.99583	7.7
169.08728	2.1
171.00612	2.9
187.09772	95.3
211.09901	1.6
255.23314	26.8
259.77698	1.7
285.29575	1.7
301.38727	1.5
342.02771	1.7
355.62933	1.5
379.46030	1.8
405.17883	2.1
661.41797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26521	1.5
59.01365	2.5
61.66850	1.5
65.30136	1.4
71.01350	2.0
73.58209	1.6
78.95895	8.0
91.20447	1.6
97.06554	7.4
101.02418	3.5
107.70983	1.7
113.02425	1.9
125.08842	2.9
125.09718	67.5
143.64368	1.9
152.99562	9.7
171.00578	2.3
177.80347	1.7
187.09731	26.0
204.21365	1.6
228.16045	1.7
255.23286	71.6
279.23138	1.9
293.21146	4.1
469.67017	2.4
661.28485	8.9
661.41748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48148	0.8
54.43043	0.8
59.01378	4.5
69.87710	0.8
71.01393	1.5
71.71841	0.8
75.58225	0.9
78.95901	29.0
85.77988	0.9
89.02431	7.1
96.96008	2.2
96.96955	63.1
96.99047	1.0
97.17476	0.8
125.02386	2.1
128.16905	1.0
147.24765	0.8
148.12569	0.9
157.98277	1.0
162.05603	100.0
167.03548	1.2
209.81989	1.0
270.11362	35.3
279.94962	1.0
293.08612	1.3
536.27307	1.2
540.05273	1.0
564.20959	88.9
617.19550	1.0
662.18628	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.80521	0.6
73.60703	0.5
86.89503	0.5
93.76532	0.6
97.40372	0.7
134.03760	2.5
137.26837	0.6
139.92871	0.6
140.51454	0.8
143.78125	0.6
193.05112	3.4
209.84442	0.7
264.65158	0.6
535.36993	0.9
546.65338	0.7
599.27045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14711	0.3
59.01377	0.6
60.72986	0.4
61.98831	100.0
62.70354	0.3
74.65962	0.3
77.48051	0.3
91.66949	0.3
92.23154	0.5
97.42302	0.3
103.49134	0.4
119.99167	0.3
130.25175	0.4
199.99266	0.4
234.27472	0.4
238.99974	0.4
256.23743	0.5
450.18890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96591	0.6
59.01377	1.2
61.98832	100.0
94.39385	0.8
223.27986	0.7
231.85286	0.7
247.64674	0.7
255.23251	4.6
256.23669	6.3
257.24011	3.6
258.24182	0.8
302.85657	0.7
338.73569	0.6
380.68799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46693	0.4
79.14079	0.4
79.95744	1.0
92.22912	0.7
96.03616	0.5
96.96001	100.0
105.83232	0.4
369.71213	0.5
623.89191	0.5
662.38477	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47350	2.4
57.74025	2.0
73.89410	2.2
78.95902	3.7
81.82474	1.9
88.87792	2.0
109.34877	2.2
125.09710	22.0
137.41655	2.0
142.04912	2.1
167.14407	25.7
169.31972	2.0
186.11333	12.7
211.13422	41.4
228.16081	34.6
229.12247	2.2
229.14360	17.8
364.24658	2.9
367.90720	2.6
381.27487	22.7
462.31192	2.3
592.31183	2.6
662.43683	3.6
662.55017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50465	0.2
61.46854	0.2
63.24319	0.2
64.36807	0.2
79.95743	1.7
84.13136	0.2
88.70702	0.2
96.96006	100.0
100.89594	0.3
101.13184	0.3
103.19933	0.3
109.74161	0.2
127.18519	0.3
159.90141	0.3
202.64784	0.3
363.67490	0.2
445.80841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33630	1.1
59.53064	1.1
61.25357	1.3
62.83269	1.1
65.39199	1.1
65.68382	1.2
66.49413	1.4
71.01385	9.3
91.15833	1.4
105.38664	1.3
115.00365	36.8
115.57377	1.2
120.78720	1.2
121.72923	1.2
133.01428	100.0
133.23145	1.7
145.33856	1.3
153.01759	1.6
166.32845	1.4
168.04330	2.3
169.86975	1.5
173.04520	10.4
274.07358	1.4
346.05850	1.4
352.15799	1.7
529.15448	2.6
687.33319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	6.3
72.99309	0.8
74.41130	0.5
77.90073	0.5
80.35114	0.5
89.02438	2.9
93.03428	0.9
115.00362	38.9
123.66891	0.5
128.09836	0.5
133.01428	100.0
134.03711	1.1
145.62061	0.5
149.06061	3.1
155.03519	0.6
173.04567	0.7
178.02861	0.8
184.74477	0.5
193.05077	18.5
204.40195	0.5
222.24158	0.5
437.29199	0.6
527.74335	0.5
529.15649	10.3
547.79706	0.7
554.73053	0.6
607.01343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56380	0.4
51.90267	0.4
61.04046	0.3
70.94299	0.4
71.01380	7.5
72.99297	1.0
81.29363	0.4
87.33752	0.4
89.02440	1.7
93.03470	0.6
115.00359	37.2
115.36160	0.4
118.93060	0.4
133.01424	100.0
155.03497	0.5
167.10556	0.4
173.04552	13.8
193.05043	2.1
205.84416	0.5
236.68127	0.5
238.37906	0.6
529.15747	5.2
540.36182	0.5
620.87537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.179
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52412	0.3
71.01378	6.2
72.99295	2.0
83.27937	0.4
89.02428	2.5
93.03423	0.9
115.00359	38.7
133.01424	100.0
179.03470	0.4
193.04808	0.7
197.04552	0.7
294.64081	0.4
334.77573	0.5
487.84048	0.4
529.15674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26056	0.4
66.34281	0.5
71.01373	8.2
72.99300	0.8
79.54140	0.5
89.02447	1.0
93.03455	0.9
113.21359	0.5
115.00368	36.9
133.01431	100.0
193.05144	0.7
201.87964	0.7
225.84251	0.5
359.10782	0.5
415.51541	0.6
521.43237	0.5
529.15704	2.4
686.76392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46719	0.4
62.51141	0.4
64.33212	0.4
70.06505	0.4
71.01379	7.2
72.99306	1.8
86.41577	0.5
89.02433	1.9
93.03433	0.7
115.00363	37.0
133.01425	100.0
155.13092	0.5
165.50542	0.5
173.04541	10.2
193.05101	1.8
197.04549	0.7
295.23639	0.4
334.47784	0.5
400.35632	0.4
461.13599	0.5
529.15656	4.6
559.42108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03455	9.7
59.01382	7.6
71.01379	1.5
75.00876	1.5
81.85697	0.9
83.01390	2.4
85.02946	100.0
86.69785	1.0
89.02448	1.2
93.03458	2.0
100.41644	0.9
103.00401	1.1
111.00879	4.9
119.05137	1.0
129.01939	9.4
133.01428	6.2
134.03737	2.0
145.02892	1.2
147.02995	9.1
163.03955	1.6
173.00957	1.4
173.04501	7.5
175.87863	1.1
179.03534	1.4
187.62097	1.0
191.02005	33.0
191.03764	1.5
191.04100	1.2
191.05626	17.2
193.05070	10.9
211.07658	6.7
234.52040	1.0
237.09207	1.1
239.10803	1.2
247.09720	1.2
265.08722	1.4
291.08804	2.3
327.08807	4.4
364.16412	1.1
367.10364	2.4
484.30536	1.2
489.13992	1.4
663.18127	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76833	0.2
51.75596	0.3
71.01381	8.2
72.99298	2.1
79.22102	0.3
89.02450	1.5
92.23036	0.7
93.03454	1.2
111.44524	0.3
115.00364	35.5
133.01427	100.0
149.06107	0.5
155.03511	0.4
173.04543	10.5
181.05061	0.6
193.05063	2.2
197.04596	0.6
247.50737	0.3
321.11462	0.3
529.15625	4.9
556.04791	0.3
643.48218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
60.98996	0.4
60.99303	0.9
67.01892	0.9
67.81773	0.4
71.01389	0.7
73.58720	0.3
85.02941	0.5
87.00870	4.3
89.02470	0.4
93.03448	18.1
111.04506	3.4
119.05012	2.4
129.01932	0.6
137.02455	0.5
144.35945	0.4
145.02943	2.2
155.03531	0.9
163.04010	8.2
173.04541	13.1
174.30528	0.4
191.05626	100.0
211.07660	3.4
223.07585	0.8
262.19473	0.5
265.08655	1.9
278.78922	0.5
327.08841	3.0
337.09341	49.3
489.14032	1.8
501.14371	0.7
603.17108	0.6
663.19452	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55335	1.0
53.17424	1.0
53.58848	0.9
55.68501	1.2
57.03438	1.0
59.01383	7.3
60.28482	1.2
71.01381	3.0
81.83161	1.1
85.02930	8.9
87.00861	2.4
89.02446	2.9
92.42852	1.2
93.03449	22.6
101.02412	1.7
111.04528	5.8
113.02470	2.0
119.05002	13.1
132.38231	1.2
137.02425	2.6
145.02963	21.5
155.03531	6.3
157.59198	1.3
159.36623	1.1
161.06058	2.1
163.04022	34.6
168.78210	1.2
173.04556	100.0
179.05669	1.7
187.04051	1.7
191.05634	91.7
205.05226	1.3
211.07660	35.0
223.07681	9.1
237.09247	7.5
239.10843	6.2
253.08627	1.7
265.08627	5.4
283.09863	5.0
309.07568	1.4
325.09427	2.3
327.08844	8.5
337.09348	14.4
369.09964	2.3
489.14160	8.0
501.13977	11.2
603.17438	7.5
662.88525	1.4
663.19440	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
66.06104	1.1
71.01377	5.8
71.64124	1.2
75.30463	1.3
85.02946	6.2
86.40025	1.3
87.00884	1.7
89.02450	6.4
93.03455	25.8
101.02450	3.0
111.04494	3.0
113.02448	2.3
115.00343	2.1
119.04977	1.9
121.02964	2.9
133.03055	1.5
137.02455	1.9
143.05008	8.8
155.03548	2.4
163.04028	10.0
173.04561	51.1
173.05989	1.8
191.05626	100.0
211.07655	31.4
223.07643	2.4
237.09215	8.3
243.04195	2.5
243.06642	55.9
243.09085	2.4
265.08771	34.4
306.46371	1.7
309.07700	8.6
327.08789	62.9
369.09741	2.5
382.36856	1.5
429.11804	3.0
489.14175	15.8
501.13815	14.9
530.37921	1.5
542.69458	1.6
543.15021	2.9
573.16431	2.6
603.17340	18.6
663.19391	47.3
663.29816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57944	0.9
59.01387	13.1
64.78105	0.9
71.01368	6.9
79.77792	1.0
85.02957	13.4
89.02441	8.6
93.03464	6.9
101.02444	5.5
111.04505	2.3
113.02443	5.7
119.03510	2.2
119.04992	13.8
137.02478	1.8
145.02977	11.2
155.03503	2.0
161.06053	2.1
163.04015	25.2
167.80060	1.2
173.04573	29.2
174.07002	1.0
179.05597	2.2
191.05634	97.5
204.11925	1.1
205.05013	2.1
205.76669	1.1
211.07671	100.0
223.07651	11.9
237.09227	5.1
239.10695	2.0
265.08859	2.6
283.09763	4.7
325.09552	1.5
327.08829	12.6
351.07181	1.6
361.01163	1.3
365.57751	1.2
429.12088	2.6
489.14063	5.2
501.13950	6.0
543.13721	1.2
603.17200	5.5
663.19263	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21555	0.6
51.44425	0.6
56.49177	0.6
56.78441	0.5
57.03450	1.7
59.01134	0.8
59.01384	11.9
71.01374	9.2
71.52074	0.6
79.04681	0.9
85.02945	18.7
85.06557	0.7
87.00863	0.8
89.02441	12.8
93.03455	9.3
101.02430	4.6
111.04504	3.7
113.02425	3.5
116.25702	0.8
119.03493	3.4
119.05011	8.8
128.81628	0.7
129.01981	1.4
137.02428	4.2
143.03494	0.9
143.05045	1.2
145.02931	4.3
147.02977	0.8
155.03481	5.2
161.04648	0.9
161.06021	1.0
163.03987	14.9
165.41022	0.8
173.04556	40.1
175.06113	3.1
179.05626	5.5
191.02000	3.1
191.05627	54.2
205.05150	0.9
210.06998	0.9
211.07666	100.0
223.07683	13.0
223.09657	1.3
237.09259	3.2
239.10751	4.0
265.08948	7.9
283.09775	1.1
309.07724	1.4
327.08716	6.7
337.09201	1.3
370.16055	0.9
373.12949	0.8
399.11096	0.8
429.12012	1.3
449.12122	0.8
471.13162	1.0
489.14096	15.2
501.14426	1.5
523.41760	0.9
543.15167	1.4
573.15985	1.1
603.17578	1.8
663.19196	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39249	0.4
54.39502	0.3
67.01884	5.0
71.69247	0.3
87.07480	0.3
96.95992	0.7
102.48237	0.4
106.26430	0.3
111.00870	100.0
135.40947	0.4
180.04286	0.5
190.06267	0.5
199.75124	0.4
200.01997	0.5
205.08723	1.6
208.07458	2.3
222.09090	0.5
329.04297	0.4
359.14944	4.4
389.16132	2.2
450.67783	0.4
454.81860	0.4
551.21381	2.1
586.89362	0.4
643.18420	0.4
663.22717	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01798	0.2
59.01384	0.3
61.95220	0.2
67.01886	3.9
67.92715	0.3
71.01371	0.4
73.57450	0.3
77.66451	0.2
88.13857	0.2
96.95969	0.3
111.00872	100.0
129.01904	0.3
141.10298	0.3
172.26376	0.3
180.04175	0.5
189.05521	0.3
190.06367	1.2
191.07076	0.4
193.05112	0.5
205.08812	2.0
208.07460	2.7
222.08919	1.1
359.15012	6.9
389.15982	3.9
551.21326	1.3
617.52643	0.3
663.23309	4.2
663.36102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.87043	0.6
62.64644	0.6
71.01357	0.7
72.99314	0.9
73.02940	0.9
89.02457	0.9
90.41242	0.6
92.37856	0.6
101.02471	1.0
137.02426	5.3
150.03265	0.9
151.04027	2.5
152.80864	0.7
153.05580	1.6
161.02448	0.8
161.27174	0.7
165.05522	0.9
166.02701	1.5
175.04033	0.8
179.03496	0.9
181.05074	16.0
182.05856	100.0
187.04108	0.8
190.06488	1.1
195.06668	0.8
196.07414	4.0
197.08206	61.0
206.05733	0.7
229.05153	1.1
230.05795	0.8
231.06660	1.0
241.05159	0.8
244.07430	1.1
245.08292	1.2
247.06035	1.3
247.09676	0.8
251.09254	1.1
253.05144	0.9
255.06595	1.1
258.05408	0.8
259.06216	0.8
261.07755	1.1
262.08438	1.1
268.07373	1.0
271.06143	1.0
277.10764	0.9
283.06137	0.8
285.07635	0.9
301.07181	2.6
301.10638	0.8
303.08719	1.1
305.10483	1.7
313.10803	1.2
327.08768	1.4
329.06482	0.9
331.12009	1.3
343.11908	1.4
357.09897	0.9
359.11276	4.0
361.12845	1.0
389.12491	1.0
435.12613	1.1
465.14142	1.5
529.20691	1.2
539.19305	0.9
541.20972	0.9
557.20221	3.2
577.16559	0.9
631.20233	21.1
663.22998	5.3
663.34772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02565	2.2
57.05859	2.6
59.01384	19.4
68.99821	3.2
71.01011	2.8
71.01380	19.4
72.99289	4.3
73.02948	5.8
74.60160	2.7
86.91499	2.5
89.02446	15.3
95.01373	3.8
101.02432	13.1
108.02177	3.2
113.02430	10.4
119.03457	3.8
123.04525	17.2
137.02467	6.3
138.03172	3.3
145.02951	2.8
149.02435	4.7
150.03230	14.8
151.04036	20.0
159.77921	2.8
161.04619	3.8
163.04002	3.2
164.04829	11.4
166.02715	4.4
175.03979	3.6
177.01993	5.9
177.05627	13.1
178.02705	16.0
179.03505	6.1
181.05110	29.8
182.05852	88.6
183.10265	3.3
190.02751	35.0
193.05072	29.8
196.07431	10.9
197.08232	30.9
203.03436	5.6
205.05055	78.4
209.08318	5.5
215.12894	11.8
223.06090	14.2
287.09589	3.7
319.11569	4.9
327.08875	10.9
359.11273	4.3
371.11273	6.9
389.12418	14.7
447.22247	12.2
454.14688	9.8
469.17004	22.4
479.18268	3.3
535.32025	3.5
569.20490	5.5
610.84277	3.3
631.20313	14.8
663.22400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11728	0.5
59.01385	0.8
61.98825	1.0
62.46083	0.6
71.01374	0.9
93.03452	1.0
93.61846	0.6
95.05032	0.6
105.06196	0.6
107.04925	0.6
113.02432	0.7
115.84734	0.7
119.04996	0.8
121.02974	0.7
131.05034	1.5
135.04575	0.9
137.02446	8.5
138.03264	1.2
147.04512	3.0
149.06128	0.8
151.04007	30.3
152.04779	1.1
153.05524	4.6
160.01598	0.8
161.02438	3.8
162.03275	0.8
163.00493	0.7
163.04068	0.9
164.04799	2.6
166.02679	4.4
174.03188	2.6
175.03993	3.4
177.05470	0.6
179.03510	1.0
181.05075	40.9
182.05861	100.0
189.01964	0.6
190.02711	1.2
193.05031	1.6
196.07425	16.9
197.06323	1.7
197.08205	51.5
205.05034	3.8
206.05865	2.6
211.04013	0.8
211.09750	3.9
216.65704	0.7
221.08231	3.5
223.06184	0.6
227.07162	0.8
229.05125	1.1
232.50662	0.6
243.06461	0.8
244.07462	2.8
251.09187	2.6
253.04974	3.3
255.06538	0.7
257.08047	0.7
259.06271	1.0
259.09729	2.5
265.05054	0.8
267.06570	1.1
269.04544	0.9
271.06235	1.2
272.06882	1.0
281.04568	3.9
282.05377	0.7
283.06274	0.8
283.09653	1.2
284.06757	0.8
285.07870	1.1
287.05493	1.4
287.09167	1.0
297.04086	7.7
298.08505	0.9
302.07825	0.9
309.04236	5.0
311.05634	0.8
311.09406	0.7
312.06326	6.1
313.07346	1.0
313.10870	1.3
315.08905	1.1
315.12424	0.9
317.10162	0.9
319.11908	11.5
324.06601	1.5
327.08783	12.4
329.06680	3.1
329.10312	2.8
335.11432	1.0
339.08865	1.2
341.06567	1.3
343.07938	1.2
344.09167	0.8
356.08972	0.7
357.09637	1.3
359.07553	1.3
359.11337	7.1
361.12784	1.2
371.11441	11.7
373.13025	3.9
389.12506	15.1
434.28021	0.7
511.19931	0.9
537.17310	0.9
555.18787	4.1
569.20251	6.9
587.21741	6.1
599.17719	1.3
631.20453	26.2
663.21960	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01151	0.8
59.01381	15.2
68.23677	0.9
68.99815	10.1
71.01367	6.8
82.32983	0.9
85.02926	1.4
87.00839	2.0
89.02451	9.0
92.22527	1.5
97.61003	0.9
101.02464	6.6
108.02177	6.5
109.02930	1.5
113.02415	6.7
115.51069	0.9
119.03505	3.2
123.00906	3.5
123.04514	16.1
135.04514	1.1
137.02477	1.0
138.03189	1.4
147.04492	1.1
149.02434	1.8
150.03186	5.2
161.02390	5.1
162.03162	4.0
163.03996	7.4
164.04796	10.8
166.02635	1.7
175.00372	1.1
175.03900	1.3
177.05566	21.6
178.01248	1.2
178.02721	21.8
178.06256	1.9
179.03528	1.4
179.07083	2.0
183.06718	1.3
190.02760	19.9
193.03410	1.4
193.05072	34.9
205.05077	81.2
207.02933	2.0
222.05238	1.3
223.06168	14.9
313.77499	1.0
339.05148	1.4
354.07458	1.6
363.10861	4.5
369.09616	3.9
399.10696	1.6
463.16235	3.8
469.17145	13.4
575.23859	1.3
622.25446	1.1
633.21790	2.1
663.22711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06963	2.0
53.28801	2.2
55.39466	2.1
57.92561	2.3
59.01384	5.9
61.98833	11.6
64.30372	2.1
65.43703	2.5
67.36088	2.0
68.11210	2.2
68.99794	3.0
85.20404	2.4
89.86147	2.3
100.25474	2.4
101.02404	3.4
108.02184	3.6
122.06068	6.2
123.04530	6.3
136.07681	12.7
138.03217	2.7
149.02411	5.1
150.05598	14.9
160.01634	3.3
161.02451	4.6
163.03992	11.8
164.04715	9.1
175.00333	5.4
175.04010	27.4
176.01096	2.8
176.04793	4.2
177.05569	11.7
178.02768	10.5
179.03508	2.9
180.06812	2.6
190.02733	17.5
191.03496	16.0
191.07191	3.6
193.01414	5.0
193.05028	29.1
194.05821	14.7
205.05066	63.2
208.03787	5.8
209.04587	5.9
209.08218	30.1
223.06105	14.0
228.10327	3.2
229.09845	20.2
230.11879	20.4
245.09253	11.2
250.33035	2.6
255.11382	4.6
257.09323	6.2
273.12503	29.8
283.06110	15.2
291.11447	3.4
295.31744	2.7
317.11377	12.9
335.12518	100.0
369.09775	3.7
436.37427	2.9
453.14523	3.3
454.14709	26.4
455.15573	2.7
469.17154	17.4
552.96411	2.8
663.23108	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15474	0.7
53.72602	0.9
59.01382	2.0
59.26598	1.0
72.99303	73.3
92.22454	1.1
95.68607	1.0
103.31570	0.9
123.04522	19.7
135.04510	26.2
151.04024	1.2
169.35063	0.9
179.03503	72.4
192.30322	1.0
197.04561	85.5
205.37216	1.0
223.35638	1.1
236.13564	0.9
341.08990	1.1
404.89059	1.1
663.25146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90365	0.3
59.01141	0.6
59.01390	8.5
71.01389	4.1
85.02958	2.8
87.04472	0.5
89.02453	6.8
101.02451	4.8
113.02450	100.0
115.81410	0.4
119.03483	3.0
163.11348	0.5
179.05652	2.2
181.12430	2.1
186.64265	0.5
186.65962	0.5
191.05612	4.5
193.05130	0.5
207.10339	0.6
225.11394	5.6
231.12494	0.5
233.10934	0.4
249.11369	1.7
255.94727	0.4
309.13596	0.4
337.09167	0.5
338.45953	0.5
387.16617	0.6
412.50388	0.5
476.52719	0.6
483.18695	0.6
549.22015	17.9
653.21515	0.5
663.25354	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2684
Annotation	Azadirachtin P
Peak:m/z	Relative Intensity
59.01381	2.1
79.99314	0.8
85.13519	1.0
91.05288	0.9
96.95983	3.9
110.06131	1.8
122.06120	5.7
124.03980	1.3
136.04158	0.9
138.05542	1.8
150.05635	1.3
174.05653	1.4
176.05898	1.5
201.10300	1.9
213.10338	4.5
215.11830	1.3
229.09842	12.9
229.13435	4.2
229.17749	1.0
239.11873	5.9
241.09904	1.3
247.10968	1.7
255.11415	4.0
257.12970	5.7
267.11426	1.2
273.12433	4.1
283.11011	1.4
289.11945	6.0
301.11932	20.0
319.13016	55.3
327.13690	1.4
360.17160	1.1
374.14987	1.0
386.15082	7.0
387.15894	1.4
388.16754	1.8
390.14536	1.2
404.16251	10.6
405.16751	5.6
414.14548	2.3
416.16306	1.4
429.17145	1.3
432.15512	4.7
446.17166	2.3
447.17795	1.9
527.23035	3.6
545.23627	1.7
587.25079	9.9
631.24097	29.0
645.25824	2.0
663.26788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95402	1.1
59.01379	18.0
69.31158	1.2
70.36096	1.3
71.01366	9.7
73.02927	1.6
85.02956	6.3
89.02445	6.2
93.51621	1.2
99.00889	1.8
101.02432	8.0
102.98093	1.2
113.02425	9.1
119.03443	1.5
122.06094	9.5
127.03998	2.0
136.04047	2.7
136.07695	10.0
138.05615	5.3
146.40228	1.4
150.05609	11.9
152.07097	2.4
166.51991	1.5
225.11235	1.6
228.10356	2.9
229.09796	20.9
230.11967	16.7
245.09334	8.1
255.11543	5.5
257.09305	11.3
258.09967	2.1
273.12488	30.7
285.80057	1.3
317.11389	15.4
335.12515	100.0
444.34903	1.8
453.42392	1.8
559.27502	12.6
577.28680	7.4
619.29950	11.6
663.26886	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
73.32453	0.7
94.02976	1.3
105.79634	0.7
108.04512	1.1
112.76170	0.7
115.09807	0.9
122.06120	9.6
124.04047	1.1
136.04053	6.6
136.07703	10.1
138.05618	3.8
150.05576	11.4
150.79059	1.1
152.07152	3.1
160.01685	0.9
175.03984	8.2
186.09283	1.4
193.05138	1.5
201.06706	1.3
202.08923	1.0
202.12436	0.9
212.10950	0.8
223.05983	1.0
228.10312	4.9
229.09825	19.4
230.11967	18.9
231.11339	0.9
245.09247	6.1
245.12975	1.1
246.11295	1.1
255.11427	4.9
257.09363	10.4
258.10117	1.5
273.12473	32.5
275.10452	1.3
317.11475	11.2
335.12540	100.0
410.23672	0.8
417.16849	0.8
417.92245	0.8
439.16129	1.7
447.16068	0.8
603.24188	1.1
618.98468	0.8
631.23688	1.1
663.26196	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94844	0.7
58.99606	14.3
59.01381	33.0
65.08622	0.7
71.01379	3.7
78.32112	0.8
83.05032	4.6
85.02934	1.3
86.06760	0.7
89.00662	18.4
89.02418	3.3
99.02748	1.3
99.04420	0.9
101.02444	4.3
102.98594	4.3
113.02433	3.0
115.03997	0.9
119.03442	0.9
126.01448	6.4
150.03239	1.4
177.05481	1.1
186.92897	1.0
201.43176	1.0
203.03638	0.9
203.10770	1.8
204.97830	0.9
247.98674	0.9
280.10858	0.8
287.94394	0.9
311.20203	2.0
359.22543	1.7
392.88086	0.9
395.26260	1.6
427.23901	1.6
455.27875	4.2
485.28955	1.3
487.25372	28.7
501.28818	4.6
517.26392	9.3
527.28394	4.7
529.27979	1.8
619.31055	1.2
645.29388	1.3
663.28821	100.0
666.21173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67360	2.2
59.01385	70.1
62.80347	2.7
71.01382	65.7
71.01740	4.7
73.02946	18.0
83.01389	5.1
85.02955	30.4
87.00858	4.5
89.02443	35.6
95.01388	6.0
99.00904	5.3
101.02443	48.7
113.02447	47.6
119.03486	12.5
125.02453	4.2
129.01898	3.9
150.05605	3.1
154.12427	3.2
159.02998	3.5
161.04599	6.0
170.82167	3.3
191.05551	3.3
229.09930	6.0
230.12033	4.4
253.18338	3.9
273.12524	11.3
298.08615	3.2
308.44598	3.2
335.12497	39.9
415.23578	5.3
465.42023	3.1
480.08612	3.1
559.27637	76.5
577.28632	62.8
619.29852	100.0
642.57727	3.2
663.26172	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39343	0.8
57.03437	1.1
59.01382	50.5
60.59253	1.1
71.01380	20.8
73.02950	3.2
85.02935	4.1
87.00861	0.9
89.02438	34.2
89.75826	0.8
95.01411	1.2
101.02431	22.4
113.02441	9.0
115.03989	3.9
118.79906	1.0
119.03496	10.5
135.04550	1.1
136.05347	0.9
179.05547	1.4
188.19849	1.2
190.10042	2.1
191.10770	1.5
203.10751	2.0
268.14642	6.0
271.17056	15.8
281.15482	15.1
282.16296	1.2
283.17056	15.4
308.17914	1.2
323.20044	1.3
326.18951	2.0
341.21231	13.4
359.22235	6.3
367.34000	0.9
521.27533	37.1
547.25293	1.8
615.27582	1.6
663.30261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01650	3.3
55.75297	3.1
59.01377	26.9
71.01382	7.3
76.65694	3.3
78.95901	6.0
89.02422	15.4
92.23091	4.5
92.48939	4.2
101.02431	19.1
104.92874	4.1
113.02451	3.8
114.10194	3.3
119.03506	9.8
185.27202	3.7
219.22247	3.7
271.17090	7.5
283.17072	6.1
285.09708	4.1
341.21170	8.1
356.26434	4.9
359.22418	9.8
423.13028	4.4
443.34033	3.9
456.25757	4.2
521.27545	23.4
663.30182	100.0
663.47308	9.7
693.52527	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.5
59.01369	2.7
59.73995	1.5
70.02962	8.9
74.02465	32.1
75.25008	1.5
92.23077	3.0
96.96004	59.9
98.02491	10.9
98.66699	1.4
105.41003	1.4
109.11482	1.4
116.03527	17.0
116.05025	7.3
118.33435	1.4
159.09227	1.6
163.54610	1.3
191.05676	2.1
201.10364	5.9
203.08269	66.8
218.87468	1.6
245.09326	100.0
289.08356	1.9
301.99817	1.5
663.19434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64840	3.1
52.53078	3.1
56.16143	3.0
59.01386	24.5
63.60001	3.2
71.01353	25.3
73.02955	5.8
78.95921	13.9
83.01393	4.0
87.00872	25.1
89.02435	25.2
94.76163	3.3
97.88908	3.3
101.02438	15.7
113.02428	20.4
118.87924	3.6
119.03470	6.0
143.03505	4.7
152.99677	12.9
227.58102	3.7
237.43033	3.6
279.23337	100.0
293.24966	16.9
323.09769	23.9
341.10947	34.4
603.33954	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37124	1.9
56.29731	1.7
59.01383	42.3
60.66655	1.9
65.67947	2.0
70.69669	2.0
71.01385	32.1
78.95901	8.1
83.01360	2.7
85.02970	2.9
87.00882	10.6
89.02447	45.1
101.02440	20.4
108.91817	1.9
113.02431	16.6
119.03465	16.9
134.14603	2.1
140.22987	1.9
144.34995	2.1
152.99606	4.0
161.04533	2.5
177.77573	2.1
179.05635	4.6
194.76176	2.3
279.23346	100.0
293.25201	3.0
323.09906	18.9
341.10962	35.2
442.53546	2.4
499.33954	2.4
603.33954	86.2
663.39264	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.4
70.98342	2.5
71.01372	30.3
78.95894	6.5
83.01391	5.7
87.00855	5.4
89.02440	59.8
98.98071	2.7
101.02433	20.9
113.02419	25.2
119.03477	21.3
143.03497	3.6
152.99573	5.7
161.04585	3.3
179.05630	6.3
204.39935	2.8
279.23279	75.8
323.09961	22.7
341.10895	100.0
603.33997	31.1
629.26117	3.0
663.29297	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25388	1.4
53.36007	1.2
59.01383	46.8
65.00137	1.5
66.11205	1.3
75.15401	1.4
78.65923	1.3
78.95903	30.8
137.21622	1.7
139.11295	2.1
152.99586	7.4
153.88580	1.5
171.10260	2.8
243.12570	1.8
279.23312	100.0
283.26410	11.7
300.40021	1.7
311.22403	2.1
403.87485	1.9
441.28842	3.2
451.16895	1.7
578.37952	2.3
591.46265	6.9
651.57349	1.7
663.38245	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.376
Annotation	Rubuside J
Peak:m/z	Relative Intensity
59.01371	4.0
71.01379	1.6
71.05042	0.8
85.02969	0.8
87.49345	0.8
89.02451	1.2
90.99410	0.7
113.02482	1.0
190.97966	0.8
212.62926	1.0
234.84486	0.9
237.52238	0.9
256.11313	0.9
375.02591	1.0
393.46585	0.8
395.33685	0.8
421.31155	7.9
436.53897	0.9
439.32278	15.6
457.33386	6.4
483.31241	22.3
501.32272	68.1
543.33435	6.3
631.93536	0.9
637.71277	0.9
663.37799	100.0
681.38251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3914
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
71.61594	0.4
78.95895	2.2
81.92516	0.4
96.20246	0.6
116.92854	1.0
133.02951	2.7
134.03732	7.0
135.03517	0.5
135.04518	10.4
137.02412	0.8
149.06107	1.0
150.55267	0.4
152.99600	1.1
160.01624	1.8
161.02455	22.6
175.04048	5.4
178.02646	0.6
179.03508	15.5
185.49474	0.5
193.05074	6.8
241.96019	0.5
293.17877	0.4
293.20932	1.3
469.33191	2.1
535.18384	0.6
547.30573	0.7
589.35138	0.7
663.39142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18521	0.3
54.23413	0.3
55.05362	0.3
56.15988	0.3
65.96741	0.3
67.09895	0.3
71.11847	0.3
107.54330	0.4
133.02943	1.8
134.03754	6.9
135.04520	8.7
137.02435	0.7
149.06081	0.7
152.99614	0.5
160.01614	1.7
161.02443	22.0
161.91652	0.4
167.12083	0.4
175.03998	6.9
178.02708	1.4
179.03517	17.3
193.05077	8.4
469.33429	1.8
534.30267	0.5
547.30786	1.4
604.37323	0.7
663.39124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04520	0.3
60.66274	0.3
61.04821	0.3
66.19619	0.3
78.95917	0.4
96.96001	18.2
98.60368	0.4
116.41349	0.4
126.69019	0.4
134.03766	0.4
173.04559	0.7
175.03838	0.4
191.05688	0.6
193.05074	0.4
265.14807	100.0
335.64438	0.4
342.14304	0.4
367.10022	0.4
396.12259	0.4
497.10721	0.4
542.18585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67485	1.2
57.57851	1.3
60.69093	1.3
70.20833	1.6
78.95892	2.9
86.69584	1.4
96.08944	1.2
96.76015	1.5
101.48624	1.5
122.42256	1.4
147.27170	1.4
152.99571	2.6
157.10834	1.4
171.10338	5.7
183.10208	3.0
183.13911	3.4
195.13899	11.4
205.12370	1.8
211.13400	1.6
223.13388	3.0
275.20135	14.6
293.21243	100.0
419.22894	1.5
635.46204	1.6
663.29291	2.0
687.91504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53085	1.5
59.01372	2.3
60.95219	1.6
61.30539	1.6
63.70103	1.6
69.59743	1.5
74.55560	1.4
78.95901	1.8
82.71529	1.6
89.58337	1.5
94.94233	1.4
97.91148	1.7
110.49602	1.5
117.75424	1.8
152.99644	2.0
203.92575	1.6
210.10538	1.6
231.21172	2.2
235.17041	44.9
275.20221	49.4
293.21246	100.0
349.50305	1.6
404.59537	2.2
496.22192	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99479	0.8
64.72192	0.9
69.14017	0.8
69.48055	0.9
69.63739	0.9
75.82244	1.0
79.00556	0.9
84.95221	1.0
91.05528	100.0
103.00663	1.0
127.25462	1.0
135.04541	52.8
184.81567	1.0
209.32814	1.2
213.62003	1.1
229.26297	1.1
336.05023	1.4
351.07452	1.5
361.44064	1.3
366.09848	4.4
368.29349	1.4
646.22198	2.3
664.26599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31770	1.3
57.97552	2.2
59.01379	2.8
61.98842	12.2
67.67078	1.0
69.24593	1.0
71.98041	1.3
72.04070	1.2
82.02978	8.8
92.22504	2.0
102.51851	1.5
110.89488	1.5
126.01953	6.3
139.03978	2.3
172.93530	1.6
209.17238	1.4
224.75137	1.3
277.21729	100.0
389.26987	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
60.91245	3.5
74.11002	2.8
74.91661	3.1
77.59988	3.8
89.04884	3.1
97.02917	4.8
117.86584	3.7
187.03979	3.6
204.02028	3.5
277.21741	100.0
303.23590	6.0
304.23685	5.7
311.18564	3.8
375.25531	4.4
664.45746	4.6
676.33636	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11213	4.6
61.98826	40.5
69.27808	5.6
70.08231	5.0
72.85698	4.7
216.61446	5.4
277.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4204
Annotation	PAz-PC
Peak:m/z	Relative Intensity
58.30338	1.2
59.01381	2.3
59.56461	1.1
60.55593	1.3
78.95918	9.8
82.57499	1.2
97.06590	2.9
122.98506	1.7
125.09717	100.0
139.82312	1.1
141.01711	1.8
152.99597	2.6
168.04292	2.7
169.08685	3.0
187.09708	2.0
189.86584	1.2
201.11328	25.9
203.97276	1.2
219.76619	1.3
224.06883	1.6
232.36525	1.3
255.23322	68.8
255.26048	2.2
403.56436	1.4
406.09036	1.5
505.71445	1.7
605.34155	9.3
664.42126	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49209	0.6
63.94787	0.7
74.28397	0.6
79.95737	7.6
86.37581	0.7
87.52804	0.6
94.98074	100.0
106.99500	0.6
155.65318	0.7
226.92720	0.7
233.08879	0.7
316.37302	0.7
657.64063	0.8
658.84039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84230	0.2
68.64343	0.2
84.34413	0.2
85.02943	1.4
93.03448	0.3
110.75008	0.3
114.17711	0.2
127.04022	0.4
135.04524	0.5
149.38531	0.2
161.02385	2.0
163.04073	0.4
165.03891	0.3
173.04645	0.5
179.03508	1.3
191.05629	100.0
204.60402	0.2
311.08218	0.3
353.08826	28.9
382.47949	0.3
441.92621	0.3
478.58115	0.3
665.19330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90647	0.2
59.01391	0.2
77.58608	0.2
85.02952	1.0
93.03475	0.3
96.83344	0.2
100.52048	0.2
111.04526	0.3
119.04993	0.2
127.04041	0.3
130.29143	0.2
135.02986	0.5
135.04501	0.4
161.02412	1.7
163.04091	0.4
173.04562	0.4
173.56320	0.2
179.03551	0.8
191.05627	100.0
221.04500	0.8
230.49841	0.2
311.07718	0.4
347.92139	0.2
353.08813	30.1
529.11932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.21
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside
Peak:m/z	Relative Intensity
61.69384	0.9
69.17458	1.0
71.01389	0.9
72.99296	6.4
78.95911	1.0
79.78661	0.9
90.16623	1.0
138.03185	1.4
145.02966	1.9
146.03746	10.7
147.04517	34.3
159.04471	5.6
161.02417	5.4
162.03210	4.9
163.04004	13.8
175.03981	2.1
177.06764	0.9
190.02756	17.8
191.03513	21.5
254.06160	1.2
265.05106	1.3
281.04446	1.3
283.06149	18.1
286.08627	1.4
296.06851	1.5
297.07642	1.5
298.08411	12.9
301.10757	1.7
308.36972	1.3
309.04123	6.3
313.10864	10.2
317.67972	1.3
324.06500	4.0
327.05054	4.7
327.08759	1.8
328.09613	2.4
329.10248	1.7
339.08688	5.7
341.06729	2.1
342.07532	5.3
344.89825	1.1
357.09848	18.1
378.25259	1.0
401.08670	8.1
605.38641	1.0
638.20801	1.2
665.21008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
69.77866	0.3
70.02984	3.7
71.02513	0.7
72.00909	0.6
72.04517	0.4
73.02940	3.3
86.02505	0.4
95.02517	5.0
97.07590	0.4
98.02460	2.8
101.02439	16.7
111.01994	2.3
113.03569	32.1
114.01954	22.6
116.03553	0.6
116.92876	3.5
131.04620	100.0
134.03755	0.4
149.22035	0.5
150.03230	1.0
161.58476	0.4
165.05560	3.1
185.05713	1.8
191.07216	0.9
193.05083	2.1
195.06644	0.8
203.06758	15.1
235.06194	0.7
383.11432	0.5
389.12546	0.9
431.13773	0.6
463.15503	0.4
533.16864	1.9
665.22180	16.8
665.33105	0.8
674.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17413	1.1
56.75328	1.1
59.01370	7.0
61.71265	1.2
71.01382	1.9
85.02917	1.8
86.91887	1.1
89.02421	2.9
94.76862	1.3
96.96011	10.7
117.03448	12.0
119.05019	21.9
126.52351	1.3
145.02946	100.0
151.11406	1.2
161.06076	12.0
163.04001	32.4
175.03926	1.5
177.05620	4.3
205.05026	12.5
235.06105	2.8
265.07172	8.5
665.22412	66.6
665.32697	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.87550	0.5
68.81845	0.5
71.01383	4.1
71.41703	0.6
73.02935	0.9
77.12698	0.6
84.83546	0.6
85.02946	3.2
96.44029	0.6
101.02425	1.2
113.02441	1.0
136.46039	0.6
159.02928	0.6
161.04510	2.5
240.88910	0.5
521.41736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36021	0.5
59.01384	0.5
60.44683	0.4
61.98832	4.1
66.88014	0.5
67.37035	0.4
68.20769	0.5
69.19573	0.5
71.01363	0.9
79.28535	0.5
137.02422	0.9
149.02489	0.9
150.03189	6.1
164.04846	1.3
165.01910	16.9
165.05573	15.0
176.74403	0.6
179.07085	1.0
180.04291	46.3
181.05014	2.0
195.06636	100.0
210.05339	1.1
225.07719	1.1
243.08824	8.3
343.11832	1.3
346.10565	0.6
367.03885	0.6
373.12848	5.4
421.15036	15.7
469.17181	6.9
617.22430	4.3
665.24573	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01381	3.4
73.02962	0.8
77.85197	0.6
82.56099	0.7
85.02936	2.4
88.98045	0.6
101.02440	1.0
128.16739	0.7
161.04520	3.9
314.76324	0.8
339.46451	0.7
357.12354	0.6
396.91974	0.6
411.79132	0.9
606.61835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39200	1.2
59.01373	3.2
62.89134	1.3
64.19671	1.4
71.01398	2.7
71.48549	1.5
80.67199	1.4
81.91450	1.2
89.02456	1.7
90.37953	1.7
93.15718	1.4
96.27213	1.7
101.02464	1.7
103.93141	1.7
113.02467	2.0
127.58067	1.5
134.03732	13.1
149.06100	7.4
160.01666	23.2
165.01906	24.2
175.04012	100.0
179.03445	3.6
180.04308	32.0
193.05115	20.8
195.06651	39.5
210.05368	8.9
225.07648	11.7
297.07733	8.4
303.67276	2.1
312.10071	7.4
329.13980	8.8
338.57056	1.7
359.15149	3.3
371.11313	6.7
439.16174	91.3
439.22238	3.4
617.22681	6.5
654.43561	1.8
656.57281	1.9
665.24561	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44073	1.0
59.01383	4.6
59.14780	1.0
70.72705	1.0
71.01385	2.3
73.02969	1.1
84.74207	1.1
85.02966	1.4
96.96014	9.3
101.02461	2.3
101.06094	1.2
113.02479	2.2
114.86233	1.1
115.03989	2.1
134.03749	20.6
135.04552	1.5
137.02423	1.5
149.06108	4.3
151.22891	1.2
160.01674	25.9
165.01920	22.4
175.04010	100.0
178.02715	1.7
179.03497	6.7
180.04306	34.5
193.05103	18.7
194.05896	2.2
195.02910	1.5
195.06650	35.2
210.05362	11.7
225.07664	12.0
225.11452	1.5
249.58365	1.5
265.05157	1.7
269.07901	1.4
297.07727	8.5
312.10040	6.3
371.11514	10.1
439.16147	89.6
617.22491	8.8
633.83508	1.2
665.24792	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
68.18398	0.8
68.86891	0.8
71.01411	0.9
73.02934	1.2
85.02950	1.4
98.99982	1.0
101.02438	1.7
113.02438	1.0
113.92631	0.9
120.65041	0.8
121.02924	1.3
122.03727	2.2
125.69147	0.9
133.02913	0.9
134.03755	1.0
149.02449	11.5
150.03220	56.4
152.01022	1.1
155.24902	0.9
156.35803	0.9
159.62793	0.8
163.03972	2.0
164.04797	18.0
165.05569	83.0
175.00365	4.9
175.03998	1.3
179.07216	1.5
180.04257	9.3
190.02733	46.1
191.03502	1.0
195.06654	20.6
205.05070	100.0
208.03712	1.5
209.04634	1.6
223.06128	15.8
239.54822	0.9
280.07553	1.3
338.09177	0.9
371.11349	5.1
419.13522	3.3
439.12622	1.2
469.17175	90.6
590.33246	1.0
617.22162	1.0
665.24634	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24671	1.2
51.38839	1.0
56.38365	1.2
59.01143	1.4
59.01383	23.1
62.80524	1.1
71.01359	6.7
85.02992	1.3
89.02430	8.6
101.02426	8.3
104.57480	1.3
110.99393	1.4
113.02431	5.0
119.03497	1.8
122.03773	1.6
126.02538	1.5
136.89774	1.5
149.02441	10.1
150.03224	52.4
163.03944	6.8
164.04787	19.6
165.05559	77.1
166.02634	2.6
169.59488	1.5
179.07056	2.1
180.04234	8.2
183.06485	1.6
190.02711	39.4
195.06625	15.0
204.67059	1.3
205.05057	95.9
207.02914	1.4
222.05252	2.9
223.06140	18.7
297.90167	1.5
312.09982	1.6
371.11249	7.4
469.17175	100.0
617.22699	3.1
665.24438	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.6
59.01382	33.1
66.87904	1.0
71.01375	16.8
72.99332	9.2
73.02926	2.8
76.43706	1.1
83.01373	1.2
85.02962	5.3
89.02447	19.7
95.82019	1.1
101.02419	8.5
103.03999	3.1
109.37256	1.3
113.02411	2.8
119.03491	2.2
121.02921	1.1
122.03703	2.4
134.03697	1.2
145.01424	3.1
145.05147	1.6
149.02423	10.8
150.03217	52.9
163.04005	2.8
163.06119	7.9
164.04788	19.6
165.05563	72.0
175.00438	5.5
179.07141	2.7
180.04274	7.0
189.05632	1.9
190.02731	44.5
191.03534	1.8
194.56039	1.5
195.06593	17.0
202.15561	1.5
205.05066	100.0
208.03697	5.3
209.04533	1.5
222.02669	1.3
223.06158	14.0
223.59084	1.5
243.12480	2.7
244.19536	1.3
294.08990	5.6
309.11337	2.2
323.09396	1.7
324.10095	5.1
339.12445	14.4
371.11450	7.3
419.13519	2.4
421.20825	7.4
469.17218	92.3
503.19574	17.1
617.22070	1.4
665.24689	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51788	1.6
55.01903	2.5
59.01108	3.1
59.01385	67.1
59.01687	3.2
61.31588	1.6
61.98790	1.9
71.01376	55.3
72.99307	2.0
73.02947	37.4
83.01388	3.6
84.02116	1.8
85.02945	32.4
89.02435	23.1
95.01375	2.5
97.02950	2.3
99.00887	5.0
101.01781	2.8
101.02441	65.5
113.02446	31.7
119.03549	8.2
119.04983	4.0
123.41358	2.2
131.03523	4.3
145.02985	14.6
145.05075	10.0
159.02988	3.8
161.04559	37.1
161.06068	12.6
163.04048	15.9
179.05611	13.5
191.05682	2.4
192.25670	2.0
204.07930	3.1
205.05026	13.3
221.06657	10.2
235.06026	4.6
247.08316	5.1
265.07175	22.5
282.07541	2.2
294.09119	14.6
309.07675	16.2
309.11383	11.5
323.09109	3.1
324.10028	20.3
325.09271	14.1
335.22183	7.8
339.12405	28.6
345.20709	22.2
423.38611	2.2
507.26007	67.0
515.18146	2.8
611.36108	2.3
621.31323	2.4
665.24115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03837	1.3
59.01378	1.6
67.54398	1.6
67.95786	1.5
70.31777	1.4
71.01382	1.9
85.02975	1.8
101.02450	3.0
112.28463	1.6
113.02454	2.3
134.03754	2.2
147.04547	2.5
148.04747	1.4
149.02449	16.3
161.02371	1.5
162.08447	1.4
164.04800	84.4
179.07123	12.4
190.02730	6.5
191.05621	7.7
193.05170	2.9
205.05080	17.8
219.89830	1.6
223.06123	100.0
291.18286	2.4
503.26398	2.2
557.69440	1.6
629.28302	72.7
665.32312	7.0
694.32275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99884	2.6
59.01383	60.1
62.66301	2.2
67.71002	2.9
71.01367	22.3
75.93780	2.7
76.09328	3.2
76.70866	2.6
85.02959	6.7
87.04527	3.2
89.02448	43.4
93.50087	3.0
99.04430	3.1
101.02447	33.6
113.02458	18.2
115.03983	42.9
119.03506	21.6
135.90179	2.9
135.99683	2.9
163.11275	14.6
181.12346	76.9
207.10301	6.2
221.08145	5.8
225.11351	100.0
227.26770	3.2
239.12953	10.1
241.93527	3.1
252.91451	3.3
267.12378	12.4
405.17532	16.8
408.96973	3.1
503.21509	70.2
545.22766	13.0
567.22461	5.6
575.24036	4.9
605.24792	40.2
606.02100	3.3
665.27264	71.7
674.17517	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44832	1.3
59.01384	32.8
66.02297	1.3
71.01384	22.9
72.99316	2.0
73.02937	2.0
77.65234	1.4
83.48373	1.9
85.02960	3.2
89.02424	14.0
92.19784	1.5
93.85091	1.6
99.04518	6.9
101.02452	14.3
113.02438	14.1
119.03461	2.8
132.91930	1.8
135.11784	12.7
146.51329	1.6
161.04585	3.6
161.09720	3.3
179.10765	24.6
191.05673	6.8
223.09743	7.7
254.56468	1.9
306.36832	2.2
485.20386	28.0
640.13031	2.0
665.26923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47466	2.0
58.90485	2.2
59.01388	57.9
60.48910	2.5
62.02394	2.5
71.01394	22.2
71.23711	2.1
73.02943	3.2
85.75042	2.2
89.02449	47.9
96.81628	2.8
97.02937	4.0
101.02424	31.2
106.65580	2.4
113.02451	12.2
115.03993	40.5
115.04598	2.6
119.03503	18.8
119.28405	2.9
120.01781	2.5
127.04073	2.4
150.44653	2.9
159.04196	2.8
163.11325	9.5
177.12833	3.4
181.12341	75.2
195.13881	3.9
207.10266	10.3
225.11339	100.0
227.36250	2.4
239.12898	10.3
246.93761	2.8
267.12436	10.4
387.16714	4.5
405.17661	11.6
470.02405	2.6
503.21417	67.9
545.22571	16.4
567.23035	5.5
575.23932	5.1
605.24707	36.7
665.26874	69.7
674.17493	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.8
71.01381	17.6
72.93892	1.4
73.02938	2.5
85.02946	3.5
89.02439	27.2
93.03428	2.9
95.66455	1.5
101.02444	16.5
106.75195	1.5
113.02438	26.0
116.42056	1.6
119.03498	9.9
119.05019	1.9
122.00459	1.6
134.03725	3.2
137.02423	8.6
160.01682	3.1
160.39740	1.5
163.11365	8.2
165.01997	2.5
175.04028	21.0
176.48796	1.6
180.04265	7.8
181.12358	47.5
191.05721	2.9
193.05008	3.8
195.06717	6.3
195.13966	6.4
207.10255	6.6
223.13431	3.3
225.11356	91.9
233.96159	2.0
239.13002	6.3
267.12448	18.9
327.14658	1.7
387.17078	3.9
405.17740	8.7
422.19806	1.8
439.16159	13.1
447.18613	2.2
485.20712	15.6
507.20807	6.5
567.23102	19.0
665.26801	100.0
676.04327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.8
71.01381	17.6
72.93892	1.4
73.02938	2.5
85.02946	3.5
89.02439	27.2
93.03428	2.9
95.66455	1.5
101.02444	16.5
106.75195	1.5
113.02438	26.0
116.42056	1.6
119.03498	9.9
119.05019	1.9
122.00459	1.6
134.03725	3.2
137.02423	8.6
160.01682	3.1
160.39740	1.5
163.11365	8.2
165.01997	2.5
175.04028	21.0
176.48796	1.6
180.04265	7.8
181.12358	47.5
191.05721	2.9
193.05008	3.8
195.06717	6.3
195.13966	6.4
207.10255	6.6
223.13431	3.3
225.11356	91.9
233.96159	2.0
239.13002	6.3
267.12448	18.9
327.14658	1.7
387.17078	3.9
405.17740	8.7
422.19806	1.8
439.16159	13.1
447.18613	2.2
485.20712	15.6
507.20807	6.5
567.23102	19.0
665.26801	100.0
676.04327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
58.50242	1.1
59.01382	47.2
71.01357	6.6
73.02927	1.6
75.95770	0.9
82.03990	1.0
85.02933	1.7
85.62321	1.0
86.71769	1.1
87.00860	1.6
89.02450	10.4
99.00890	15.9
101.02409	1.8
108.73670	1.2
111.16501	1.2
113.02438	7.4
132.19179	1.1
149.04510	1.7
161.04515	1.8
161.09682	6.2
161.13364	2.5
163.11356	2.5
185.91692	1.1
187.11275	9.4
189.09207	1.4
191.05588	5.3
205.12244	1.8
207.10268	1.7
210.18604	1.1
223.13429	10.0
249.11295	1.2
263.37100	1.2
267.12491	1.3
415.16028	6.5
417.25095	1.6
561.42053	1.2
665.28149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27668	1.8
57.03491	1.8
58.99498	1.8
59.01383	40.0
60.00560	1.7
61.64281	1.9
71.01364	4.2
72.90958	1.9
77.86269	2.0
82.60346	1.8
82.66843	1.9
89.02433	4.9
89.31959	2.1
94.81397	2.2
96.32932	2.0
99.00861	18.3
101.02490	2.3
107.86232	2.1
113.02429	8.6
137.47609	2.0
161.09700	4.5
187.11299	3.5
191.05620	14.0
205.12320	3.4
205.73833	2.1
211.13330	3.5
223.13335	4.7
229.14470	4.4
318.31216	2.2
329.23303	11.2
343.76984	2.2
612.78546	2.4
612.89844	2.3
656.58112	2.3
665.28333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
65.67214	1.0
78.95933	1.4
80.09586	1.0
96.95950	1.3
109.02931	2.7
137.02444	44.8
189.11050	1.6
197.53200	1.2
281.04678	1.4
284.70764	1.1
293.04449	5.1
293.07971	1.7
321.07748	3.8
361.10672	2.7
406.14566	1.7
420.15619	1.6
444.38324	1.2
501.23105	18.2
541.25922	6.3
559.18420	2.6
559.27039	71.1
577.28320	9.3
665.29688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47777	1.4
54.37298	1.4
57.68283	1.4
68.82119	1.3
75.30911	1.4
78.95890	2.9
81.70399	1.4
109.02934	2.2
137.02431	39.9
137.03391	3.1
242.45807	1.7
249.05634	2.2
293.04590	7.0
309.11276	2.7
321.07898	1.9
335.09134	3.4
393.16953	1.6
559.27051	100.0
577.27985	9.7
665.29773	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34298	1.0
51.85159	1.1
52.99557	1.2
55.19662	1.1
59.01376	6.3
59.74463	1.3
61.98823	7.4
63.04642	1.2
83.03721	1.3
98.39362	1.6
98.78238	1.3
100.52930	1.4
187.22647	1.3
215.47931	1.2
224.17314	1.5
443.22290	1.5
445.20358	100.0
459.22018	37.5
460.22595	6.8
472.22861	1.8
487.21420	7.1
500.21939	2.1
504.21701	76.0
514.23981	2.9
515.24316	11.0
518.23468	17.6
519.24017	46.5
526.20325	1.9
541.22296	3.1
573.25128	56.6
573.33630	2.9
597.54034	1.6
605.07202	1.6
606.56805	1.6
665.29932	70.6
665.40887	3.7
690.43109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81504	1.7
59.01382	59.7
63.79628	1.6
71.01382	42.7
73.02937	12.3
83.01411	3.8
85.02952	13.4
87.00880	3.8
89.02439	30.5
90.58244	1.8
95.01386	3.7
99.00867	3.3
101.02451	33.7
113.02437	36.3
119.03485	11.3
134.03728	11.6
143.03514	2.6
150.03148	2.4
160.01685	7.7
161.04623	3.0
165.05530	3.3
175.03983	31.0
179.03548	2.4
180.04257	2.1
193.05055	8.3
195.06702	2.7
215.39534	1.9
269.70749	2.0
311.09164	2.4
312.10336	2.7
371.11353	7.5
401.08743	3.2
408.49271	2.0
439.15991	14.3
561.29211	51.5
567.20520	6.2
579.30267	33.0
617.22571	11.6
621.31390	100.0
665.23151	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52894	1.7
59.01381	69.1
61.14509	1.7
71.01377	52.6
72.99340	2.6
73.02943	9.3
83.01382	3.1
83.76808	1.8
85.02953	20.6
87.00833	2.2
89.02432	30.8
91.05537	3.4
95.01434	2.1
97.02960	2.0
99.00875	9.4
101.02444	35.0
111.00886	2.4
112.75397	2.7
113.02426	40.5
119.03505	12.3
122.35564	1.8
125.02422	4.6
134.03761	2.7
139.49706	2.1
143.03462	2.3
149.02441	3.5
150.03223	16.0
161.04562	3.6
164.04781	4.6
165.05556	25.0
167.45837	2.0
180.04115	2.5
190.02715	9.9
193.04900	2.2
195.06660	10.9
205.05110	22.5
208.03853	2.5
223.06154	10.2
347.08585	2.2
371.11246	2.7
371.57483	2.1
419.13428	2.9
437.63474	2.5
469.17133	23.6
553.98749	2.3
561.29156	62.6
579.30438	41.3
621.31354	100.0
665.24292	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53246	1.3
53.43862	1.1
59.01378	33.4
71.01372	16.5
73.02936	3.0
75.33662	1.5
78.44527	1.2
78.95887	1.3
81.88419	1.3
83.01385	1.7
85.02962	6.0
87.00877	2.8
89.02437	20.3
97.02888	2.8
98.02840	1.5
101.02424	21.2
111.74760	1.2
113.02446	7.6
119.03494	2.8
121.94479	1.5
125.02416	7.4
143.03497	1.4
143.14384	1.4
143.54836	1.4
161.04482	4.7
235.08218	5.5
267.23291	100.0
275.36761	1.4
305.08856	2.6
397.13535	88.0
415.14548	26.4
559.27411	1.8
665.38086	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51089	1.9
59.01379	38.1
61.44230	1.7
61.98832	8.3
66.93674	1.9
71.01376	24.2
85.02981	2.2
87.00863	2.8
89.02429	34.8
93.26586	2.0
101.02426	16.6
103.09424	2.1
113.02441	12.7
119.03506	10.4
143.03496	2.2
149.04549	2.6
167.68939	2.0
171.80742	1.8
179.05716	7.7
180.91176	2.0
255.23373	3.4
269.21320	3.4
281.24881	100.0
290.06793	2.2
295.26416	3.9
323.09943	10.4
341.10965	12.9
605.35535	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14896	2.6
59.01386	38.4
71.01373	24.2
73.02941	4.5
83.01383	3.2
85.02974	4.1
87.00892	28.0
89.02457	24.2
98.87067	2.9
101.02456	22.4
113.02448	23.7
119.03489	13.1
137.86969	3.1
161.04582	4.4
179.05624	4.0
216.06833	2.7
242.98042	2.8
269.70139	3.1
281.24902	100.0
295.26428	57.3
323.09860	13.9
323.25803	4.3
341.10892	39.6
605.26050	5.5
605.35461	96.8
665.39380	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77613	1.7
55.12864	1.7
60.48203	2.0
63.90373	1.8
81.76763	1.9
92.67722	1.9
116.92872	2.4
138.84531	2.2
139.48666	2.1
140.53293	2.4
218.04617	2.6
221.21791	2.8
255.07703	3.8
267.07581	3.1
282.06506	12.2
283.07254	4.9
294.06500	2.5
295.07376	19.8
299.06778	3.1
309.08786	4.3
310.09546	4.9
311.10342	27.4
312.23126	2.2
315.09970	4.0
316.57114	2.4
337.08234	8.5
498.97955	2.2
543.23212	2.2
633.38837	10.6
665.41846	100.0
692.04803	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09967	0.5
57.69514	0.6
66.24166	0.7
74.97695	0.7
75.73102	0.6
85.02932	0.7
101.60551	0.6
113.66008	0.7
135.04518	31.0
155.03467	0.8
161.02481	3.1
173.04556	1.7
179.03506	68.2
191.05626	100.0
219.50902	0.7
309.78195	0.9
353.08804	71.3
355.51355	0.9
483.67813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56198	0.5
78.01894	0.5
89.36500	0.5
92.22795	0.7
95.36897	0.6
117.00867	0.5
125.02431	24.5
128.74866	0.5
132.12735	0.5
133.80707	0.6
149.99576	3.5
163.52065	0.6
167.03477	1.1
168.00636	45.7
169.01375	4.2
313.05710	9.3
331.06747	100.0
360.56229	0.7
380.42770	0.8
556.59583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56803	0.2
53.62456	0.2
59.01371	0.5
59.55909	0.2
74.79740	0.2
85.02947	3.6
87.00886	0.3
93.03456	1.0
111.04543	0.3
113.02444	0.4
127.03986	1.0
134.58441	0.3
173.04584	0.3
191.05634	100.0
216.86247	0.3
235.05960	0.3
300.85294	0.3
331.37308	0.2
666.24475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25561	0.4
59.20982	0.4
61.98831	100.0
71.01364	0.8
101.02423	0.5
161.28694	0.4
163.14232	0.5
265.47037	0.5
268.23727	0.6
397.13669	0.7
443.74530	0.5
465.31265	0.5
606.35229	0.9
666.33972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45971	3.8
53.33213	4.9
56.55977	4.3
66.39674	4.6
68.18404	4.3
76.56409	4.9
80.39672	4.9
82.40943	4.7
92.23090	6.8
97.16306	5.1
103.65715	4.7
148.62933	5.5
218.25958	5.1
279.23331	100.0
302.47278	5.6
436.04858	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75858	6.3
56.48975	4.8
58.56675	4.9
59.01361	5.2
61.28943	4.5
87.61522	5.1
101.39317	5.3
108.95071	6.1
144.54836	6.3
163.20024	6.0
279.23291	100.0
333.24420	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59665	0.5
58.86595	0.5
61.98835	100.0
62.89133	0.5
112.21061	0.6
134.91040	0.9
161.02431	0.9
166.86206	0.6
243.61311	0.6
291.17090	0.7
378.37079	0.6
534.08765	0.7
603.40674	30.6
634.29388	0.7
645.89954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26282	1.1
55.73315	1.0
59.01377	1.2
61.98832	100.0
65.23389	0.9
68.76213	1.0
73.87137	1.1
74.37467	1.0
100.41518	1.3
126.09751	1.2
160.56741	1.2
278.46060	1.4
311.95822	1.6
398.20819	1.4
494.98758	1.5
588.52661	1.3
603.42987	2.1
612.20569	1.3
653.99030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
59.35669	0.9
60.50045	0.8
63.61111	0.7
71.01392	1.8
81.03452	5.4
83.05020	4.9
85.89520	0.9
89.02436	1.7
93.03481	1.9
101.02419	1.2
109.02955	2.2
111.04516	49.0
115.03319	1.0
119.05049	1.1
124.28653	1.0
127.04011	100.0
135.04504	1.2
137.02428	6.7
145.02943	8.3
151.00377	1.3
155.03510	58.8
163.04019	2.3
164.04800	2.0
165.01962	1.6
166.02719	21.3
169.26709	1.0
179.03503	1.5
179.07149	4.9
180.04305	11.4
181.05089	38.5
195.06613	21.0
199.02507	80.1
199.33876	1.0
210.05377	4.4
217.03610	1.9
218.47633	1.0
225.07726	1.8
271.05981	1.1
344.08282	1.1
354.78156	1.1
396.12637	1.0
467.15652	49.7
505.17123	7.3
521.20374	2.0
539.31372	1.1
569.22015	3.6
604.82043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.8
72.99295	2.5
75.00867	100.0
157.79996	0.5
158.75551	0.4
166.73372	0.5
168.87337	0.4
268.03787	10.0
283.06134	57.0
339.80209	0.5
383.82477	0.5
591.17151	2.2
626.97540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23021	0.5
67.58228	0.5
72.99309	5.2
75.00869	100.0
77.53366	0.5
92.22507	1.1
92.47829	0.6
99.43353	0.5
102.70948	0.6
113.02408	0.6
150.03102	0.8
152.03951	0.6
164.04689	0.6
165.05533	2.4
190.02744	0.7
191.69450	0.6
205.05043	1.0
206.05424	1.1
207.94731	0.5
268.03830	10.4
283.06143	67.5
470.17862	0.6
471.17822	3.2
591.17188	2.2
667.25128	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
59.35669	0.9
60.50045	0.8
63.61111	0.7
71.01392	1.8
81.03452	5.4
83.05020	4.9
85.89520	0.9
89.02436	1.7
93.03481	1.9
101.02419	1.2
109.02955	2.2
111.04516	49.0
115.03319	1.0
119.05049	1.1
124.28653	1.0
127.04011	100.0
135.04504	1.2
137.02428	6.7
145.02943	8.3
151.00377	1.3
155.03510	58.8
163.04019	2.3
164.04800	2.0
165.01962	1.6
166.02719	21.3
169.26709	1.0
179.03503	1.5
179.07149	4.9
180.04305	11.4
181.05089	38.5
195.06613	21.0
199.02507	80.1
199.33876	1.0
210.05377	4.4
217.03610	1.9
218.47633	1.0
225.07726	1.8
271.05981	1.1
344.08282	1.1
354.78156	1.1
396.12637	1.0
467.15652	49.7
505.17123	7.3
521.20374	2.0
539.31372	1.1
569.22015	3.6
604.82043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39201	0.4
56.67497	0.5
59.01102	0.9
59.01382	20.9
59.70033	0.5
61.14375	0.5
63.12939	0.4
67.01882	1.5
67.33476	0.5
69.25533	0.5
70.13254	0.6
71.01379	14.4
80.43772	0.5
82.17567	0.6
85.02951	1.3
85.94505	0.6
87.00865	1.4
89.02436	30.7
95.01408	0.6
101.02438	9.4
111.00872	100.0
113.02431	10.0
119.03488	13.0
128.03543	2.9
129.01941	2.4
131.03470	1.1
143.03510	0.7
161.04521	4.2
168.28387	0.7
176.28304	0.7
179.05609	24.5
182.02148	0.7
231.05028	0.9
291.07199	31.0
692.78271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10749	0.9
59.01382	100.0
71.01388	3.7
72.25168	0.8
84.62113	0.9
85.02950	1.5
89.02447	9.3
92.22551	1.2
96.64228	0.8
99.00877	21.8
101.02439	3.5
103.00367	37.1
103.04029	6.0
113.02429	6.8
115.38313	0.9
129.18312	0.9
131.03496	1.5
133.05066	61.1
135.04533	11.1
149.04562	3.8
161.04601	1.9
175.06151	14.1
180.13535	0.9
182.69232	0.8
191.05621	7.3
219.05103	7.9
315.10889	9.9
424.33167	1.1
447.15134	65.6
483.44659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	47.9
62.70158	3.5
67.21335	3.0
71.01382	20.4
78.95911	4.1
85.02937	5.6
89.02431	9.3
92.22430	6.7
101.02467	15.7
106.66936	4.0
110.74738	3.8
113.02459	5.9
131.45990	3.7
161.83296	4.6
165.12399	4.8
199.67831	4.3
271.09885	4.5
304.36685	4.3
307.11987	15.4
667.21716	47.0
667.33246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
62.32488	0.8
65.33733	0.9
71.01367	4.4
71.68492	0.7
84.60055	0.8
85.00861	0.7
85.02951	1.5
85.94364	0.7
89.02422	5.9
99.00878	3.8
101.02428	1.8
106.65585	0.9
111.00861	0.8
113.02402	1.9
121.02946	0.9
146.99202	0.8
147.04506	5.8
149.02432	37.8
149.05959	1.2
164.04787	89.9
179.07184	7.0
190.02753	9.7
205.05058	13.0
206.08524	0.8
208.03833	8.8
223.06117	100.0
300.60980	0.9
401.86835	1.0
443.15610	7.2
461.16614	1.0
511.25079	0.9
667.22504	39.3
667.32513	2.8
689.55902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65962	0.7
59.01391	8.5
71.01379	4.4
72.99296	4.7
73.02944	0.9
74.38081	0.7
85.02945	1.7
89.02439	9.0
99.00865	9.6
101.02416	5.2
113.02411	5.8
121.02938	1.4
129.05540	1.5
130.42511	1.0
134.03722	0.9
147.04585	6.1
147.06622	5.1
149.02434	32.7
149.88353	0.8
151.85663	0.8
152.04735	0.9
164.04797	90.2
166.24277	0.9
167.07153	1.1
175.00299	1.0
179.07167	8.7
190.02718	18.7
195.06657	0.9
205.05084	33.8
208.03763	16.5
223.06133	100.0
226.19588	0.9
329.12289	1.1
348.65372	1.0
443.15808	8.9
461.16833	8.2
667.22522	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73837	1.0
51.62775	0.9
52.50472	0.9
54.89832	1.1
59.01371	8.5
59.96031	1.2
60.22787	0.9
61.27052	1.0
63.58751	1.0
64.44379	0.9
71.01373	2.9
75.03152	1.0
89.02448	4.5
101.02443	5.5
104.97474	1.3
113.02431	1.1
117.03470	1.6
119.05013	42.3
133.06572	6.7
138.41815	1.1
145.02959	62.8
161.06076	53.3
163.04007	90.4
177.05586	12.2
187.04024	4.9
205.05075	64.8
205.07011	1.4
235.06104	44.4
235.08446	1.7
244.03952	1.3
265.07175	100.0
270.12692	1.5
283.09726	7.6
294.08966	2.3
295.09714	1.5
296.10526	2.0
297.11136	1.5
298.12109	5.4
310.12216	1.9
311.09265	63.0
324.02246	1.3
325.09293	74.5
326.11615	60.6
341.13956	28.9
383.96661	1.1
455.38821	1.4
667.23926	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90387	1.5
55.75302	1.3
59.01382	17.4
59.66462	1.5
60.56082	1.5
61.08557	1.7
61.98832	2.4
63.06327	1.7
68.74505	1.6
71.01373	4.5
74.99093	7.4
84.16445	1.7
85.02940	2.5
89.02447	7.8
96.95988	1.8
101.02454	4.3
113.02426	12.1
117.03449	13.7
119.05027	28.8
121.02989	2.1
125.04090	2.1
128.80475	2.0
133.06619	2.7
136.99141	7.0
138.15546	1.8
145.01839	4.0
145.02953	100.0
161.06061	25.0
163.04016	61.4
177.05560	8.6
177.86168	2.0
179.10718	2.5
187.04007	2.1
189.79161	1.9
205.05070	32.7
219.73395	2.0
235.06053	17.8
235.29424	2.0
265.07169	44.7
281.80264	1.9
311.09247	25.0
325.09311	25.7
326.11578	19.7
335.22424	2.6
341.13962	9.9
667.23505	56.7
667.37616	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54792	2.4
59.01394	24.2
64.93710	2.7
68.15098	2.6
71.01376	14.8
72.99300	3.4
73.01462	3.2
73.02920	3.9
74.51181	2.8
75.00881	5.2
78.95901	3.5
84.25318	3.1
85.02975	3.4
87.00867	3.2
89.02441	7.8
101.02439	14.4
113.02451	22.5
117.03482	4.8
119.05011	50.3
125.04296	3.1
133.06552	7.0
134.04745	3.6
145.02960	87.1
159.93231	3.2
161.06094	50.4
163.04005	87.7
169.29012	3.2
177.05571	13.6
187.04114	4.7
205.05084	65.3
235.06146	41.2
265.07178	100.0
307.08383	3.4
311.09302	61.5
325.09338	76.1
326.11609	49.9
331.24829	3.4
341.13953	26.5
389.80383	3.5
432.66458	3.4
667.23956	16.4
667.38837	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.3
68.25364	1.5
68.68075	1.5
71.01373	12.8
73.02936	2.8
84.35660	1.4
85.02969	1.7
89.24268	1.5
92.23038	2.3
96.96024	3.3
101.02448	10.2
101.38132	1.6
113.02467	3.3
137.02480	2.0
148.25461	1.7
149.02400	17.5
150.03223	67.9
151.04016	23.0
152.04842	1.7
161.04613	1.8
164.04733	13.6
164.65674	1.6
165.05565	100.0
166.06329	12.0
167.03490	2.0
169.89526	1.7
171.10205	2.0
180.04308	7.2
181.08710	2.3
195.06659	21.2
207.06606	2.3
225.07697	55.6
299.09225	11.7
340.09436	2.6
341.10425	13.9
355.11935	11.4
373.08292	2.6
373.12967	73.6
385.13193	2.0
421.15094	42.9
471.18582	11.0
540.30225	2.0
619.24164	29.3
667.26508	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
56.91771	0.4
65.98812	0.5
69.92354	0.5
71.01372	0.6
73.02954	2.5
87.00856	6.6
105.26871	0.5
110.15421	0.6
113.02438	8.1
117.01939	11.9
119.05018	26.9
123.04514	2.3
135.02988	0.7
145.02983	1.0
154.12173	0.6
163.04016	100.0
190.08633	0.7
193.05087	1.8
232.90199	0.5
234.07713	2.7
281.06674	36.9
281.13568	1.4
422.92233	0.6
437.51758	0.5
437.57892	0.6
468.75308	0.5
492.22305	0.6
585.60071	0.5
667.18939	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88767	0.9
56.33585	1.0
59.01102	1.6
59.01379	23.7
59.09218	1.0
61.99559	1.0
65.19437	1.0
69.89495	1.2
71.01070	1.2
71.01384	21.6
73.02937	8.8
83.01421	1.5
85.02937	7.1
89.02431	12.3
91.76022	1.4
93.03385	1.2
99.00867	2.4
101.02432	21.7
113.02451	11.8
119.03471	5.9
121.02890	1.6
132.28574	1.3
135.04521	4.6
136.05284	16.7
137.02419	5.8
143.03461	1.1
149.02443	5.0
149.06010	1.6
150.03256	11.9
151.03979	1.3
151.07599	1.9
159.02943	1.7
161.04501	7.7
163.03979	4.5
164.04739	4.8
165.01923	35.1
165.05554	26.3
175.03975	4.5
177.05571	5.3
179.03517	11.0
180.04276	47.2
181.05095	2.8
190.02773	1.2
194.05865	12.2
195.06642	92.2
205.05002	1.4
209.08195	1.3
210.05399	11.1
211.09831	1.6
219.33167	1.3
223.06122	1.7
225.07690	9.9
232.19038	1.2
249.07721	1.9
263.11307	2.6
299.09030	2.6
311.09207	1.5
313.10800	9.5
314.11752	9.0
325.07123	7.4
326.07794	1.9
329.10495	1.6
340.09512	11.7
341.10297	15.6
346.10593	2.0
355.11902	15.8
358.10648	45.5
359.14923	1.3
373.12930	100.0
385.13217	1.7
400.02271	1.2
403.13931	5.8
421.15225	12.2
441.17682	7.8
521.20178	16.0
522.10321	1.5
546.24731	1.5
569.22656	21.3
606.37329	1.4
619.24042	74.4
623.31976	2.3
667.26099	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50919	0.8
59.01101	1.4
59.01381	30.7
71.01377	16.2
73.02930	1.5
76.83215	0.8
81.03474	1.2
85.02948	1.8
89.02436	17.6
99.00817	1.2
99.04493	4.7
101.02419	10.8
102.26794	0.9
113.02438	7.6
117.05560	1.0
119.03496	3.6
161.04558	1.2
163.11308	5.5
175.03923	1.0
181.12341	42.1
185.18355	1.1
191.05400	1.0
225.11316	17.9
371.17969	1.1
487.21875	26.7
529.05402	1.1
667.28278	100.0
671.57666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.2
59.01383	25.2
71.01376	12.7
74.62946	0.8
85.02947	1.8
87.04546	0.9
89.02441	12.6
95.01353	0.9
101.02420	10.2
110.75861	0.8
113.02438	6.9
119.03479	3.0
155.03438	0.7
155.76578	0.9
157.38353	0.7
163.11273	3.9
178.65559	0.8
181.12366	37.4
195.13919	16.1
207.10397	5.5
217.03929	0.9
223.13431	3.7
225.11346	66.3
239.12906	8.0
263.70496	0.8
267.12396	19.8
358.68359	0.7
487.21982	18.8
582.87299	0.9
667.28357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61108	1.1
59.01379	18.8
71.01366	7.9
72.99303	49.0
76.64804	1.3
78.83411	1.2
85.02929	3.2
88.98766	6.7
89.02412	7.8
99.88728	1.4
101.02402	3.0
113.02419	2.3
119.03508	1.9
123.04511	11.8
135.04515	19.0
179.03503	46.5
180.95772	1.2
197.04561	61.6
213.09286	1.8
214.57257	1.5
223.05794	2.1
272.14249	2.5
443.27921	5.3
452.20410	1.7
461.28366	1.7
549.61371	1.4
623.33820	5.7
667.30603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.1
59.87593	1.9
64.80398	2.1
67.26311	1.9
71.01359	3.6
78.95892	4.8
85.02951	2.3
86.73724	2.2
89.02463	2.7
101.02454	2.9
103.15218	2.0
105.93394	2.0
108.02161	3.0
115.04007	2.9
121.02931	10.9
123.04513	18.4
152.99544	2.0
167.03470	2.2
176.08423	46.6
201.11256	2.7
218.09660	3.4
234.81906	2.2
314.24393	2.0
347.22598	3.4
387.08423	2.2
398.23621	2.2
398.35138	2.1
569.30029	4.5
667.33551	100.0
682.56409	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.6
57.03686	0.4
59.01376	2.4
59.45830	0.4
59.46131	0.5
71.01388	0.8
75.39578	0.5
79.95792	0.4
87.00850	0.5
89.02459	0.8
90.58691	0.5
101.02445	0.6
107.04961	0.8
123.08150	51.8
141.12375	0.5
165.09218	2.4
167.07155	7.0
175.03972	1.0
175.11278	2.1
176.08414	0.5
177.09225	4.9
178.10001	24.5
179.07118	1.0
192.07875	1.1
193.12329	12.4
210.08987	2.1
219.10233	5.1
221.81818	0.5
225.11253	0.9
237.11333	100.0
528.15204	0.7
569.28461	0.7
667.31879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46058	3.7
51.96074	3.2
55.34155	3.0
59.01383	80.5
59.42894	3.7
62.61842	3.2
62.98586	3.5
70.77986	4.1
71.01381	50.1
73.02934	28.0
83.01403	7.0
85.02947	37.5
89.02445	7.5
95.01370	6.2
99.00868	7.5
101.02448	63.8
111.00887	6.1
113.02424	42.2
116.92840	4.3
121.20633	4.0
124.01717	4.2
125.02425	8.0
126.47133	3.9
134.03746	4.1
160.01657	14.2
161.04506	5.9
162.92787	4.1
174.24217	4.1
175.03995	41.9
221.54593	4.1
223.06126	4.4
288.63998	4.0
310.19888	4.0
411.76895	4.0
419.30377	6.2
563.34521	65.8
581.35529	57.9
607.37006	48.1
623.36627	100.0
625.37915	40.4
667.31079	41.2
667.41229	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.9
71.01379	20.3
73.02950	7.8
83.01391	1.7
83.88690	1.0
85.02956	10.3
87.00880	1.1
89.02450	7.7
99.00849	1.5
101.02450	21.8
111.00882	1.2
113.02454	11.9
119.03569	1.9
136.91046	1.3
159.02960	1.4
161.04582	6.1
176.37463	1.1
187.94043	1.1
237.93114	1.2
245.06589	1.4
257.97827	1.2
272.35947	1.2
274.47888	1.1
309.31070	1.1
418.12537	1.3
667.39435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83168	0.8
59.01379	32.6
61.98824	0.9
62.14462	0.9
71.01382	21.1
71.51958	1.2
73.02941	4.7
83.01376	1.7
85.02941	4.4
87.00858	5.3
89.02440	26.2
95.01419	1.0
97.02937	4.6
101.02444	19.4
109.02929	0.9
113.02425	9.8
119.03493	5.0
124.24294	1.0
125.02435	6.5
143.03522	2.1
154.89464	1.1
161.04582	4.2
179.05647	2.2
183.78358	1.0
190.25493	1.1
221.06595	1.4
235.08205	6.9
252.83516	1.2
253.09401	1.2
269.24887	100.0
305.08719	5.1
397.13535	96.5
407.53015	1.1
415.14551	26.2
456.25760	1.2
607.35480	1.3
667.39258	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31359	2.8
58.17235	2.5
59.01384	54.3
61.98817	4.5
71.01381	25.6
74.76366	2.8
83.01407	4.1
83.63790	3.5
85.02934	3.0
87.00882	31.7
87.34597	2.6
88.52637	3.2
89.02449	30.9
96.95974	3.6
101.02428	23.2
107.99489	2.9
113.02425	25.5
116.92864	4.6
119.03500	5.6
128.67786	2.6
133.09129	2.8
161.04501	3.3
197.11694	3.5
208.78761	3.5
212.15874	2.8
216.30701	2.9
276.19205	3.4
283.26440	89.3
284.38599	3.2
297.27997	47.4
323.09805	14.7
341.10883	31.7
364.63293	3.9
471.33102	3.1
607.37048	100.0
624.93878	3.9
667.44708	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45666	0.6
51.85820	0.7
61.98826	1.3
63.76867	0.6
70.37786	0.7
74.77490	0.7
84.75487	0.7
126.44967	0.7
137.20282	0.7
155.10780	1.7
171.10271	17.3
178.23941	0.8
183.10248	15.5
211.50136	0.8
261.75519	0.7
277.21716	33.4
295.22797	100.0
325.59351	0.7
403.47491	0.8
636.77795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17092	1.3
65.03011	1.3
85.66156	1.5
124.00735	6.3
134.03760	13.9
149.06084	13.5
149.14844	1.5
176.24191	1.4
178.02759	19.5
181.05092	3.1
191.05649	2.6
193.05077	55.3
194.06110	9.8
196.07698	15.6
200.07179	3.0
208.04158	2.3
209.04857	7.3
210.05626	14.8
212.07176	35.8
222.05595	8.3
224.07172	76.9
228.06685	2.3
238.05070	12.2
268.06207	59.9
312.05173	100.0
355.06384	2.1
355.10342	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17543	1.5
59.01382	39.9
60.88917	1.6
61.98835	100.0
66.13535	1.9
70.51394	1.8
71.01373	16.8
72.99397	1.7
73.02950	34.8
83.01398	7.5
84.48131	2.0
89.02429	9.2
101.02439	37.3
108.65157	1.8
109.89611	2.1
113.02451	16.0
119.04985	2.4
124.90905	2.2
143.03531	2.8
145.02898	7.3
146.03360	1.9
147.71707	2.0
149.04573	7.0
161.04533	11.6
163.03951	2.1
205.04980	2.6
221.06772	9.1
265.07214	2.4
294.09003	4.1
309.11282	2.9
324.09970	2.3
327.11890	2.1
339.12408	14.1
343.16003	1.9
414.00574	2.1
445.41019	2.2
501.17697	9.4
561.19916	18.3
632.19641	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43499	0.4
59.01377	4.4
61.98831	100.0
72.84041	0.4
92.22503	0.6
98.74950	0.4
137.94917	0.4
138.80489	0.4
329.80789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87273	0.4
71.01397	0.4
72.00912	1.0
73.02937	0.9
101.02437	8.9
108.47640	0.4
120.01246	0.6
143.50165	0.4
144.08192	0.9
147.04509	9.0
149.06062	0.8
164.07176	100.0
206.08246	2.6
236.09308	16.2
243.00418	0.4
248.09244	0.8
266.10352	1.5
278.10342	1.9
320.99533	0.4
326.08655	0.8
326.12494	23.0
393.71545	0.4
483.68674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87273	0.4
71.01397	0.4
72.00912	1.0
73.02937	0.9
101.02437	8.9
108.47640	0.4
120.01246	0.6
143.50165	0.4
144.08192	0.9
147.04509	9.0
149.06062	0.8
164.07176	100.0
206.08246	2.6
236.09308	16.2
243.00418	0.4
248.09244	0.8
266.10352	1.5
278.10342	1.9
320.99533	0.4
326.08655	0.8
326.12494	23.0
393.71545	0.4
483.68674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
67.52122	0.8
71.01391	3.7
72.99304	0.9
73.02949	1.6
74.49951	0.7
85.02957	1.4
92.22628	1.4
92.23131	0.8
94.03574	0.8
95.92278	0.8
96.31690	0.7
101.02437	5.8
113.02445	3.5
121.66330	0.8
161.04622	1.3
170.02531	1.0
251.11943	0.8
261.08035	1.1
262.08871	0.9
263.09454	7.8
264.10245	3.8
265.11139	1.6
276.10345	9.4
277.10971	1.5
278.08301	7.1
291.05402	3.2
291.09036	5.3
292.09848	4.8
293.10675	4.5
294.07751	3.9
294.11029	0.9
305.06985	8.0
306.07797	63.5
306.11218	3.2
309.09970	0.8
320.09308	43.5
321.06281	1.6
321.10117	61.1
331.17688	16.9
336.12473	100.0
668.30927	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18189	1.0
82.83033	1.0
89.34607	1.0
97.85611	1.1
103.36640	1.1
146.28658	1.0
203.79839	1.4
228.61906	1.2
268.03772	16.4
283.06152	100.0
633.18054	4.7
669.16132	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38696	1.5
58.01414	1.9
61.98836	2.3
63.25269	1.7
72.99304	3.9
95.31879	1.7
99.32167	1.7
134.36414	1.7
135.04530	4.0
175.03973	4.6
175.66875	2.2
176.96365	2.1
179.03500	10.3
197.04619	17.3
218.97046	1.8
264.37421	2.1
268.03836	14.7
270.86603	1.9
283.03104	4.2
283.06143	100.0
386.98404	2.1
639.24261	7.9
651.24652	9.9
669.14453	19.2
669.31903	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15614	1.1
60.61265	1.1
69.09432	1.1
70.58743	1.3
71.76049	1.3
86.89124	1.4
89.21825	1.5
171.86490	1.3
268.03769	17.8
283.06131	100.0
633.17816	2.2
669.16101	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35207	0.2
57.70429	0.3
61.03279	0.3
65.00889	0.3
71.01385	1.4
85.02947	1.4
86.44902	0.3
93.03431	0.5
101.02432	0.6
108.02158	12.8
109.02943	7.7
113.02451	1.3
116.92776	0.4
123.04497	0.5
124.56976	0.3
133.02885	0.4
135.04523	0.3
151.03990	1.3
152.01152	30.7
153.01938	15.9
161.02429	1.1
163.03967	0.5
165.01892	1.6
173.04478	0.4
179.03519	0.6
181.05035	0.5
191.05624	100.0
246.72986	0.3
315.07254	52.8
353.08817	35.3
374.67484	0.3
386.59021	0.3
573.07819	0.3
669.20239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66937	0.8
57.32435	0.9
63.11213	1.0
63.31820	0.9
68.04309	0.9
68.40079	1.0
69.76991	1.1
71.44080	1.0
72.99308	8.0
74.37932	0.9
76.34397	0.9
81.03453	1.0
83.05016	6.9
89.02444	1.6
93.03433	1.0
111.04510	17.1
113.02486	1.2
115.00414	1.1
115.04012	4.4
127.04005	54.7
129.05582	3.9
133.01414	1.8
135.04541	2.3
137.02484	5.5
146.46953	1.1
155.03505	75.2
171.02986	2.0
173.04555	32.9
179.03499	16.7
191.05647	12.9
199.02502	55.1
205.05211	1.1
217.03548	100.0
233.08179	1.4
250.93646	1.2
307.57953	1.0
353.08844	5.8
451.12549	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
68.95991	1.3
71.01373	2.6
72.99306	7.6
83.05015	8.5
85.02978	4.8
111.04504	13.3
115.03979	2.0
116.92836	13.2
127.04008	51.1
128.55916	1.4
129.05598	2.7
135.04523	40.9
135.05539	2.7
137.02431	3.2
141.47141	1.5
155.03505	58.3
161.02486	1.8
165.05571	1.4
171.02846	1.5
173.04518	8.6
175.03932	2.3
179.03485	46.7
179.05011	2.2
191.05632	55.1
195.06694	1.8
199.02487	40.2
205.05063	5.4
217.03535	57.6
224.06902	1.5
233.08177	29.2
279.89783	1.7
353.08762	7.0
383.56137	1.5
451.06149	3.2
451.12512	100.0
473.17191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
66.42200	0.5
71.01391	0.9
72.99300	6.6
81.03474	0.9
83.05009	6.6
85.02910	1.0
92.22539	0.9
93.03471	1.2
109.02907	0.7
111.04523	15.4
113.57681	0.8
115.04015	4.6
119.92572	0.8
127.04009	53.4
129.05521	5.5
135.04489	4.8
137.02437	3.7
152.93188	0.6
155.03500	66.1
171.02985	1.4
173.04546	29.8
178.87813	0.8
179.03500	12.0
189.04077	1.1
191.05627	23.2
193.05057	3.2
199.02499	51.5
205.05066	2.5
217.03545	100.0
233.08174	1.3
263.75949	0.6
353.08841	6.8
451.12527	40.4
635.93457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41578	1.0
59.01382	1.5
60.54329	1.1
60.70758	1.1
71.39514	1.1
74.60390	1.1
90.56017	1.2
110.91084	1.3
112.63916	1.3
120.85741	1.3
135.04533	32.7
161.02478	1.9
169.18250	1.4
173.04517	2.6
179.03503	77.4
191.05634	100.0
353.08807	71.0
369.79379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.87790	1.3
67.85975	1.5
70.59138	1.4
73.46056	1.3
78.95891	2.2
87.43756	1.5
101.02397	1.8
111.00951	1.5
112.08020	1.7
123.04506	65.4
133.01443	2.2
135.04494	1.6
139.54843	1.7
149.02412	2.3
153.05563	100.0
164.04782	9.2
174.03336	2.6
223.06149	11.3
279.06674	2.0
285.11374	15.5
294.08984	6.3
305.04663	2.1
307.05746	1.8
308.06931	10.0
309.07697	3.5
322.08456	3.7
323.06012	2.4
323.09244	18.9
335.09216	3.2
338.07986	11.8
341.10278	1.8
353.10446	16.4
395.11505	3.6
437.12454	3.7
447.16708	10.8
485.14557	2.7
497.14630	22.5
501.48734	2.0
639.20563	21.1
651.20874	38.8
669.21503	37.9
669.33014	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89061	1.6
59.01377	12.9
69.09094	1.8
71.01391	9.3
85.02993	2.0
89.02427	9.2
101.02444	8.4
110.40554	2.3
113.02451	8.7
119.03489	2.9
123.04527	4.9
124.11214	2.1
135.04529	24.2
153.05592	13.8
164.40012	2.0
166.58067	2.0
174.03168	5.1
200.46855	2.3
232.63438	2.3
265.08694	3.8
279.06903	2.5
279.10297	13.9
280.07379	18.1
282.08823	2.4
285.11349	41.4
293.04633	10.3
294.05621	6.3
294.09030	14.4
295.09906	4.6
295.26126	2.0
296.86523	2.1
297.09766	3.2
306.05157	2.8
307.34137	2.5
308.06949	29.1
309.07715	23.5
320.06985	9.1
321.07690	4.6
323.05576	2.1
323.09253	63.4
338.08087	7.4
339.08917	20.1
339.12338	3.3
353.10281	26.9
367.12042	3.0
380.09106	12.4
381.09772	8.0
395.11526	14.5
447.16693	17.2
447.29230	2.5
533.17212	3.0
639.20984	63.3
651.10199	5.0
651.20868	100.0
669.22076	55.3
669.33563	6.5
691.61896	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57058	0.3
58.65077	0.3
62.03000	0.3
71.01353	0.3
72.67280	0.3
79.81097	0.3
95.35262	0.4
101.02406	0.4
138.03226	1.5
149.06056	1.9
153.05565	22.6
166.02701	6.2
183.78795	0.3
253.08582	0.4
270.08990	9.1
279.10257	0.4
285.11343	100.0
308.06952	0.4
323.09241	0.6
327.12421	1.2
438.80518	0.3
447.16666	44.1
467.40775	0.4
651.21002	1.5
669.23163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27576	0.5
57.03449	0.7
57.09374	0.5
59.01382	5.1
67.64384	0.6
70.54247	0.9
71.01375	4.7
73.02941	0.7
83.50772	0.7
85.02943	7.4
87.00899	1.1
89.02435	5.1
92.48661	0.7
96.20577	0.7
98.90456	0.7
99.00864	1.5
101.02415	5.3
111.04486	1.0
113.02431	4.1
117.03465	3.2
119.03504	0.8
123.04432	0.9
134.03741	63.3
134.95941	0.7
145.02962	0.8
149.06064	20.2
160.01645	4.2
161.04543	1.6
164.04794	0.8
175.03996	18.9
178.02641	4.7
188.08417	4.6
191.05684	3.3
193.05064	100.0
203.10806	1.1
204.04309	4.8
219.06691	5.4
232.07414	2.9
245.76190	0.8
247.09790	4.6
252.33951	0.7
263.11200	0.9
264.39520	0.7
291.08789	23.0
377.14468	1.5
571.20398	72.7
608.54755	0.8
669.22839	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90174	1.5
53.78965	1.3
59.01387	3.0
71.01371	2.3
73.52250	1.6
80.98557	1.7
87.65965	1.4
89.02446	2.9
101.02454	1.9
111.04499	2.2
113.02423	3.0
119.03501	1.8
127.03980	8.2
134.03731	23.6
135.06636	3.4
149.02393	2.4
149.06056	6.3
150.03223	25.0
155.03528	15.8
160.01653	16.2
164.04701	2.6
165.05573	40.3
171.87993	1.8
175.04004	100.0
178.02696	2.1
180.04388	2.9
191.07126	2.9
193.05046	52.2
195.06635	8.9
199.02481	11.6
199.88620	1.6
202.15846	1.7
217.03543	22.1
235.06123	14.9
282.08905	8.1
341.10416	12.0
353.55893	2.1
389.12167	1.8
473.16724	47.5
520.23895	1.8
621.21973	3.0
669.24139	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90174	1.5
53.78965	1.3
59.01387	3.0
71.01371	2.3
73.52250	1.6
80.98557	1.7
87.65965	1.4
89.02446	2.9
101.02454	1.9
111.04499	2.2
113.02423	3.0
119.03501	1.8
127.03980	8.2
134.03731	23.6
135.06636	3.4
149.02393	2.4
149.06056	6.3
150.03223	25.0
155.03528	15.8
160.01653	16.2
164.04701	2.6
165.05573	40.3
171.87993	1.8
175.04004	100.0
178.02696	2.1
180.04388	2.9
191.07126	2.9
193.05046	52.2
195.06635	8.9
199.02481	11.6
199.88620	1.6
202.15846	1.7
217.03543	22.1
235.06123	14.9
282.08905	8.1
341.10416	12.0
353.55893	2.1
389.12167	1.8
473.16724	47.5
520.23895	1.8
621.21973	3.0
669.24139	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	6.6
59.01366	3.4
70.02972	5.7
71.01371	1.5
72.42265	0.7
89.02432	0.9
91.05540	6.7
94.02987	12.8
95.03322	3.3
109.06571	1.7
110.48379	0.7
113.02450	1.1
115.79282	0.7
135.04460	0.8
136.27240	1.0
146.55910	0.8
147.04521	15.9
147.63480	0.7
153.05576	4.1
164.07175	67.2
180.06670	3.8
181.07072	0.8
181.12408	1.5
206.08235	100.0
231.23439	0.8
243.17899	0.9
354.00214	0.7
386.26602	0.8
419.98254	1.0
489.23822	1.0
496.15707	1.0
547.47205	0.8
669.29968	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92841	0.7
59.01382	4.1
60.31846	0.7
67.42648	0.8
70.74571	1.0
71.01386	2.3
75.00876	3.9
75.40706	0.8
78.08098	0.8
101.02450	1.9
113.02493	1.3
113.69096	1.1
117.03429	9.1
119.05006	17.0
136.05373	1.2
145.02951	100.0
151.07605	2.1
155.03409	1.3
163.04007	16.4
163.07616	1.7
164.04750	1.2
175.04010	3.6
205.05078	1.2
245.13976	2.1
285.07721	4.9
346.14426	1.0
347.14890	1.5
355.21173	4.0
361.16357	6.9
364.13077	1.0
507.29694	7.4
669.25604	60.1
669.35278	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33226	0.7
59.01383	1.2
73.02938	4.4
87.00866	6.6
89.02430	1.0
101.02438	1.3
116.92852	4.7
117.01935	15.8
119.05011	23.1
134.03769	1.0
135.04454	1.1
136.66667	0.7
145.03000	0.8
155.03578	0.7
163.04013	100.0
175.04071	2.8
176.01154	3.7
177.01891	1.7
191.03539	24.4
191.05449	2.9
193.05049	2.8
217.03503	1.3
281.06677	41.3
473.16620	3.0
507.15009	14.2
669.20856	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92116	0.8
53.83294	0.7
53.98957	0.8
57.03453	8.6
58.13102	0.7
59.01383	44.3
71.01386	8.8
71.48235	1.0
73.02948	4.4
75.00849	3.5
80.22908	0.8
81.70059	0.9
83.01382	7.7
85.02938	2.2
88.44675	1.0
89.02439	7.6
97.02940	1.1
99.04522	9.9
101.02443	12.9
105.01915	4.4
108.02159	4.1
109.02911	3.4
109.06596	1.9
113.02415	6.2
118.25932	0.9
119.03452	1.6
123.04501	1.2
124.05312	3.3
125.02432	8.5
133.06575	4.3
137.06075	4.8
139.06602	2.0
139.07651	55.2
139.08714	2.1
152.01154	6.3
153.01904	2.1
161.04546	5.4
168.07927	8.6
179.03401	1.5
187.11269	4.3
205.05128	1.2
205.12363	15.8
214.78464	0.9
217.12296	1.1
235.13451	1.3
253.10728	1.7
263.11346	5.3
279.12305	4.6
305.12469	1.3
321.13211	1.3
347.13318	1.6
393.51828	1.2
407.15649	6.5
558.23511	1.2
669.19714	6.6
669.27673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02065	1.0
50.02308	1.0
50.27902	0.8
55.71093	1.0
57.03451	9.5
57.03668	1.0
58.09747	1.0
59.01381	40.2
63.97530	0.9
71.01359	5.3
73.02924	2.1
75.94440	1.2
81.52412	1.4
82.06283	1.0
83.01362	9.8
85.02917	1.7
92.22475	1.9
99.04530	8.7
101.02467	10.5
101.06051	2.8
113.02410	4.7
124.05209	1.3
125.02417	7.3
133.06557	7.1
136.05336	1.7
137.06061	2.4
139.07658	58.2
147.04494	1.2
149.06093	1.9
158.35434	1.1
161.04533	7.5
165.05527	1.7
168.07907	9.3
177.38110	1.1
184.31145	1.1
187.11264	5.9
191.10706	1.8
205.12354	14.7
215.68329	1.3
217.12250	2.0
225.07675	1.3
263.11359	5.2
279.12296	6.0
305.12097	2.1
347.13669	1.5
407.15497	6.7
494.27325	1.5
497.45407	1.3
507.29773	1.4
601.76929	1.3
669.27478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	15.2
59.01381	56.3
63.57644	1.7
67.68758	1.9
71.01379	13.8
73.02943	3.8
74.60970	2.1
77.55602	2.2
83.01382	23.3
83.77184	2.0
84.82878	1.7
85.02948	4.2
89.02411	2.9
93.18105	1.9
93.81353	2.0
97.02940	5.4
99.04508	14.9
101.02472	18.6
101.06065	3.3
109.02934	5.2
109.06609	5.3
112.86356	1.9
113.02437	10.0
118.75279	2.0
119.08659	3.7
122.03770	3.1
125.02425	11.7
137.06097	19.0
139.07672	24.7
150.03210	4.0
161.04573	14.9
161.40021	2.1
165.05627	4.4
187.11296	46.5
190.02737	2.4
190.49280	2.2
205.12347	100.0
217.12350	9.3
231.10201	8.5
235.13347	17.7
249.11304	2.5
261.11417	5.1
263.11374	10.8
279.12390	42.7
305.12469	4.1
312.82614	2.3
321.13559	22.8
347.13684	21.1
363.14505	11.3
391.96576	2.3
407.15717	39.5
469.17004	3.0
473.17737	2.6
541.88757	2.4
545.77081	2.6
669.27783	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68430	0.3
54.51702	0.3
55.66700	0.3
59.01382	0.7
59.48067	0.3
61.98832	1.9
75.06066	0.3
81.98762	0.3
85.02946	1.8
90.04873	0.3
113.02441	100.0
116.10216	0.4
137.96960	0.4
146.40109	0.4
159.63878	0.4
162.71060	0.3
166.52426	0.4
177.91833	0.4
198.11868	0.4
200.68871	0.4
242.79494	0.4
255.23448	1.3
277.21872	1.4
419.43277	0.4
453.97830	0.4
470.96335	0.3
505.57730	0.5
537.21533	0.4
669.30371	3.0
669.40820	0.5
691.83398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35657	0.9
78.90784	1.1
78.95900	25.4
79.95718	1.2
83.02786	1.1
87.56550	1.1
96.96994	4.9
129.26663	1.3
152.99585	100.0
171.00626	1.7
175.40245	1.3
255.23285	19.4
330.63214	1.2
362.78275	1.3
409.23700	4.4
526.80212	1.6
609.30280	2.7
635.35895	1.6
669.32526	54.9
669.43256	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19970	0.5
51.83708	0.7
53.40452	0.7
57.03456	1.0
59.01384	8.4
61.90615	0.6
71.01373	1.7
83.01387	0.8
85.02920	0.9
87.00871	1.0
89.02444	1.0
92.22434	1.0
94.16724	0.8
97.06548	1.0
101.02431	3.9
113.02481	1.6
136.05309	19.8
137.02461	0.8
137.06075	0.8
141.09348	0.9
145.03018	0.9
149.06076	5.5
151.07639	1.1
152.39001	0.7
155.10770	0.7
162.06889	1.1
163.07666	0.9
187.09824	1.4
191.10808	30.7
201.11400	1.0
205.12390	1.1
229.10927	1.4
263.11340	0.9
273.18658	4.2
277.87488	0.9
297.17139	2.8
300.02939	1.0
301.03668	3.7
315.18082	6.3
355.21490	1.2
407.26196	3.3
425.27209	1.3
443.27905	1.8
489.28613	17.5
506.29105	1.6
507.29666	25.9
669.35260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33334	0.7
57.03455	7.7
58.15720	0.6
59.01384	37.5
71.01385	6.2
73.02965	1.3
75.45549	0.7
83.01381	4.7
85.02953	3.4
87.00871	1.5
89.02419	2.9
97.02923	1.2
97.06577	1.1
98.79415	0.9
99.00871	1.5
99.04522	6.7
101.02431	7.8
101.59628	0.9
109.02925	1.0
109.06644	0.9
111.04572	1.1
113.02451	5.1
116.05122	0.9
122.03766	1.4
124.05274	3.2
125.02463	6.7
133.06609	1.6
136.05301	27.6
137.06078	3.5
139.07654	47.5
141.09259	1.2
141.16534	0.9
149.06111	6.7
151.07623	1.3
153.06674	0.8
161.04567	5.1
162.06969	0.9
163.07620	0.9
168.07896	7.3
169.08589	1.1
170.09474	1.2
181.08792	1.1
187.09804	1.3
187.11325	5.0
190.09988	1.0
191.09032	1.5
191.10793	42.3
200.56535	0.7
205.12378	10.5
210.09312	0.8
217.12282	1.4
229.10825	4.8
231.13940	1.5
263.11404	3.9
273.18628	3.2
279.12491	4.1
297.17212	3.0
301.18268	1.0
315.18283	7.4
407.15549	4.0
407.25974	1.7
425.27341	1.5
443.28110	1.6
461.29169	1.1
463.26004	1.2
488.27917	0.9
489.28653	21.4
506.29059	1.5
507.29745	32.4
669.26825	41.5
669.35199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51647	0.6
52.03918	0.5
54.26891	0.5
55.76052	0.5
57.88567	0.6
59.01377	4.4
61.98828	0.6
71.01379	3.2
72.99302	0.7
73.02975	0.7
75.00858	0.9
83.44340	0.6
87.00876	1.1
89.02431	1.3
97.06606	0.9
101.02441	0.8
111.04512	1.4
119.05024	1.0
123.04533	0.7
123.08126	0.7
127.04011	2.6
127.51041	0.6
134.03731	2.5
135.04483	0.6
136.05305	12.8
137.09735	0.9
139.07706	0.8
145.02943	4.5
145.16394	0.6
148.05331	0.8
149.06091	1.4
150.06856	0.8
151.07648	15.0
155.03493	1.3
162.06863	1.3
163.03993	2.3
163.07687	7.8
164.04840	3.3
175.04079	0.8
190.02623	0.7
193.05180	1.2
199.02518	1.0
223.06122	3.5
229.10851	3.3
261.18588	4.4
301.17999	2.3
330.18350	6.4
343.21103	0.8
348.19403	4.1
355.21310	15.4
425.27106	2.8
429.38818	0.7
443.28064	7.7
461.28952	2.9
489.28732	1.2
507.29706	43.3
571.18665	1.0
669.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16652	0.5
59.01382	12.9
71.01378	12.5
71.38058	0.5
73.02950	3.8
75.92523	0.5
83.01379	1.8
83.91421	0.6
85.02938	3.7
87.00832	0.6
88.81776	0.6
89.02442	11.5
89.34036	0.5
92.22528	0.8
99.00905	0.6
101.02442	15.0
113.02454	8.6
119.03470	4.7
125.02470	0.9
131.03488	3.1
161.04570	4.0
175.03987	0.9
192.11578	0.5
221.06641	3.5
225.23967	0.7
251.05872	0.7
309.24463	0.8
327.25406	13.5
345.26511	10.3
456.09830	0.6
489.30829	3.0
507.31833	13.9
609.28137	3.5
651.36139	2.3
669.37152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61646	1.6
56.81045	1.7
59.01376	2.6
61.98845	15.1
61.99104	1.8
79.94259	1.7
102.05181	1.8
107.22910	2.6
108.04534	2.6
114.81570	2.0
120.92842	1.9
122.06084	4.6
128.69859	2.1
156.12709	2.3
200.10820	9.5
227.08363	4.6
241.09877	4.8
242.10553	2.4
243.11430	100.0
251.08363	8.6
254.07002	3.5
269.09366	26.0
273.15210	2.3
581.40143	2.7
615.88617	2.4
625.38715	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.36248	2.0
61.98826	5.0
67.60828	2.0
91.32140	2.3
104.73130	2.3
125.09631	2.2
126.34145	2.3
148.04021	2.9
185.03494	2.2
223.08760	9.7
226.08781	12.2
241.09741	12.8
243.11278	2.7
251.08240	14.4
254.06964	26.6
255.23436	2.6
268.08560	3.5
269.09326	100.0
293.28516	2.8
313.08276	11.0
339.22943	3.6
433.59015	2.3
555.89343	2.6
617.88953	2.4
625.38550	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3867
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.87611	0.7
61.00270	0.7
61.20232	0.7
65.99695	0.7
71.01375	1.0
86.87193	0.6
87.00883	0.7
89.02430	0.8
96.95988	1.1
144.50618	0.8
150.06859	31.5
160.02463	0.7
163.07642	1.1
171.10318	1.1
179.10774	19.9
229.13904	0.9
281.21271	1.1
283.06113	3.6
325.24030	3.2
327.21866	9.5
343.21292	1.0
408.06665	0.8
428.29156	1.5
443.31287	1.3
444.32693	1.0
446.30408	11.6
448.32941	0.8
461.32791	23.9
488.31253	4.9
489.32413	5.7
506.32535	7.8
507.33340	49.4
669.38739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67112	1.0
51.73471	1.2
53.05059	1.1
57.03428	1.4
59.01378	6.1
61.98843	5.9
71.01369	1.6
71.65257	1.3
78.91458	1.2
82.57146	1.4
83.05025	11.0
89.02425	2.2
92.22389	1.5
101.02414	2.6
106.59515	1.5
109.06551	1.8
110.91775	1.3
111.08154	88.0
122.67974	1.3
125.21529	1.4
128.19872	1.4
157.04718	1.4
173.08182	32.7
241.96078	1.6
277.21741	47.5
295.23285	1.5
527.10107	1.7
669.38617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3868
Annotation	Antibiotic 250-144C
Peak:m/z	Relative Intensity
53.87270	0.6
57.03441	1.5
59.01372	5.1
61.35150	0.6
71.01363	4.7
83.05032	5.4
85.02951	0.9
89.02419	5.5
98.16102	0.9
101.02405	1.6
109.06580	1.1
111.08151	77.4
113.02444	1.7
119.03492	1.8
125.50335	0.8
129.09222	3.0
142.87456	0.7
173.08185	100.0
253.09242	1.6
255.23073	0.8
256.28101	1.0
277.21747	15.3
319.39960	0.9
409.17136	4.9
669.38629	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39118	0.8
55.44153	0.8
59.01381	100.0
59.24362	0.8
65.27393	0.8
68.80885	0.9
70.14925	0.8
71.01380	12.3
71.56307	0.8
72.99304	3.9
73.02912	1.2
85.02937	2.4
89.02428	13.6
101.02425	7.2
109.30035	1.0
113.02435	6.8
118.86226	1.0
119.03468	5.1
129.22665	0.9
157.12296	1.9
161.04576	1.1
171.10115	1.0
179.05635	3.8
197.04530	6.4
252.62129	1.1
359.10251	1.1
361.05856	1.0
455.90192	1.1
476.49399	1.0
609.40125	53.9
669.31537	3.4
669.42291	48.5
673.18610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76884	1.2
57.82152	1.2
59.42507	1.1
84.65788	1.1
97.06562	6.4
123.08163	2.2
125.09722	100.0
129.96907	1.5
169.08707	2.4
187.09769	55.5
187.11430	2.3
206.14693	1.5
243.12415	3.2
255.23358	38.2
261.13452	7.9
279.09042	1.3
332.22290	1.6
383.06949	1.5
518.65735	1.4
535.20465	1.4
618.04999	1.5
640.59888	1.6
669.45966	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15928	1.1
55.37711	1.0
59.01385	100.0
61.98828	2.9
67.11163	1.1
71.01379	4.8
75.21873	1.0
89.02442	7.3
95.00163	1.1
101.02444	4.7
106.79889	1.1
113.02457	2.4
119.03491	2.1
131.03416	1.5
164.04628	1.3
179.05583	2.1
188.92670	1.3
200.10858	2.1
226.08827	1.5
227.08249	2.3
241.10022	1.6
242.10545	1.6
243.11423	25.8
245.70416	1.3
251.08350	1.3
254.06967	2.8
255.23242	1.7
269.09418	12.1
447.73569	1.3
567.54266	1.6
609.43933	15.2
625.38745	30.7
653.43390	1.7
669.46051	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.5
61.98836	10.2
71.01382	7.1
73.02940	1.0
75.00863	4.4
78.83482	0.9
80.23987	0.8
85.02933	1.2
89.02441	1.0
101.02446	3.5
112.32539	0.9
113.02413	6.1
145.02948	1.8
152.00021	0.9
161.04526	5.0
246.37978	1.0
251.20226	8.7
255.23312	100.0
265.25409	1.6
269.24905	13.7
277.21710	5.6
279.23212	1.4
297.24399	18.5
309.24408	4.0
314.61716	1.1
327.25439	5.5
366.97141	1.0
669.38519	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29961	0.8
58.56815	0.8
59.10305	0.8
60.72663	0.9
61.04085	0.8
62.49843	0.9
93.03442	6.3
110.60810	0.9
111.04517	4.6
118.28382	0.9
119.89724	0.9
135.04523	53.9
137.02429	3.9
155.03490	1.5
161.02431	27.3
173.04510	5.7
179.03496	100.0
216.53897	1.0
233.15327	1.0
299.25208	1.1
335.07736	82.7
542.54547	1.2
615.29614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99814	0.3
61.98832	100.0
62.81718	0.4
93.03270	0.3
104.39041	0.4
110.91557	0.3
117.74572	0.4
128.71367	0.4
149.02483	0.5
153.05617	0.5
164.04784	4.4
179.07101	0.4
223.06172	2.8
245.86020	0.4
285.11478	1.7
286.11725	2.0
448.17096	1.8
474.29828	0.5
607.20294	2.7
686.33795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85285	2.2
65.87016	2.5
85.50689	2.6
116.92860	4.6
121.02964	3.4
150.03242	3.3
153.05623	2.8
153.82710	3.3
163.04047	11.7
165.05579	6.5
241.08772	3.2
310.07544	3.0
310.10754	4.2
340.11783	3.8
458.16235	5.2
560.89972	3.4
596.30444	3.8
622.24634	4.5
640.25616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00015	1.1
53.78136	1.0
61.98841	1.9
72.99296	3.2
81.87306	1.2
121.02956	2.7
132.90677	1.3
142.53633	1.4
148.05244	1.4
149.04904	2.0
150.03244	2.0
159.04497	5.4
160.05301	20.9
161.06096	2.9
163.04018	2.2
164.04771	7.2
173.06079	2.0
175.07648	17.3
177.05562	2.5
178.06297	10.1
192.07910	6.4
197.04587	9.1
224.25766	1.5
255.06590	8.2
268.07367	2.4
269.08228	50.9
270.09012	11.6
283.09808	5.7
284.10599	13.9
285.11304	1.6
296.10626	1.8
302.07965	7.7
316.09512	9.6
338.06516	1.4
417.13403	6.1
432.15720	11.3
444.15768	2.9
447.18491	17.5
462.16763	6.9
477.19260	52.2
495.11484	1.4
497.19168	1.6
507.20233	8.2
616.03070	1.5
640.25623	100.0
652.25201	5.5
670.26361	36.6
694.77563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70409	0.6
58.42392	0.6
61.98831	24.5
62.12408	0.7
63.99236	1.4
67.73380	0.7
70.00455	0.7
73.19826	0.8
73.23176	0.8
84.44433	0.8
106.33733	0.8
117.71988	0.7
117.95799	0.7
126.92257	0.7
165.51730	0.7
178.06323	1.1
197.04562	1.6
224.93745	0.8
245.38542	0.9
269.08197	6.4
270.08987	8.1
283.09760	3.3
284.10550	23.7
298.12152	15.3
302.07953	5.8
308.10312	0.8
312.09100	0.8
313.09488	1.8
314.10327	3.3
316.09604	5.5
326.10550	1.8
328.11890	4.5
340.12006	3.6
431.14731	1.7
432.14615	5.2
433.15341	1.6
445.16537	1.5
445.22473	0.9
446.16254	7.4
447.18616	2.4
458.16000	1.5
460.18005	0.8
461.15897	1.8
469.45578	0.8
472.17551	1.3
474.15884	3.4
477.19366	11.9
488.18015	3.2
491.16650	0.8
506.18924	1.7
507.20282	6.1
518.18390	0.8
548.19574	1.7
594.21686	5.5
599.15686	1.2
610.21600	0.8
626.16174	0.9
640.25586	13.1
652.24957	5.4
670.26556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18926	0.8
58.59940	1.0
59.01377	2.1
72.99302	54.2
89.02445	1.2
93.37592	1.2
101.02422	1.8
107.05045	1.0
109.02937	2.6
117.01914	1.2
123.04517	22.8
135.04504	19.4
149.02493	2.8
151.03990	2.3
152.01038	1.2
153.01947	11.6
161.02380	1.1
165.05629	1.8
167.03499	15.1
179.01912	1.9
179.03497	66.9
195.06662	6.6
197.04568	100.0
207.02910	4.0
209.04543	5.7
211.06094	9.4
239.05696	1.7
243.07417	1.1
251.05571	6.2
297.06235	9.4
311.07727	18.2
315.10922	1.8
326.03217	1.1
509.12955	49.5
551.14185	5.2
671.18408	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06177	0.9
56.01921	0.7
70.45322	0.8
71.01385	1.7
85.02908	1.4
96.72979	1.0
108.02154	23.9
109.02934	16.5
110.52445	0.9
116.92841	4.3
133.01419	1.0
152.01149	46.4
153.01929	36.1
163.04048	1.6
191.05608	24.4
193.04988	1.1
281.31702	1.0
315.07242	100.0
424.19974	1.0
499.83920	1.1
624.83441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32020	0.4
55.99806	0.5
59.07077	0.4
62.26323	0.4
62.52465	0.5
71.01362	0.8
73.02943	0.6
83.01360	0.5
85.02946	0.8
101.02431	0.9
108.02160	25.5
109.02947	13.9
113.02460	1.1
116.92826	3.1
121.79526	0.5
137.88930	0.5
148.87376	0.5
151.03972	1.2
152.01143	49.9
153.01933	27.7
163.04016	1.3
165.01897	2.1
167.03613	0.6
193.05116	2.0
262.89609	0.5
315.07245	100.0
355.10370	0.6
637.66486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
60.83371	1.0
71.01376	2.2
72.02155	1.0
78.44856	1.1
81.03457	6.9
83.05039	2.3
85.02955	3.0
93.03441	4.8
108.62851	1.3
108.63663	1.4
109.02972	1.8
111.03767	2.3
111.04512	52.9
113.02403	1.9
116.92843	1.9
119.05058	1.7
127.04007	100.0
134.03731	6.3
137.02464	4.1
145.02936	2.3
149.06116	9.6
155.03500	70.1
163.04048	1.3
169.99811	1.2
178.02702	1.8
188.78157	1.2
191.05684	3.0
193.05054	33.3
199.02495	81.3
232.07498	2.3
247.09772	17.6
265.07303	1.1
281.07538	1.2
291.08798	46.7
309.09799	1.4
351.10986	9.3
367.10440	1.4
411.12830	12.8
471.15372	2.1
671.18115	26.5
688.75043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82617	1.0
58.34783	0.9
59.01400	7.3
63.99483	0.8
71.01369	1.5
81.03455	5.6
83.05013	4.0
85.02964	4.4
87.00865	1.0
89.02444	1.9
93.03438	4.7
93.23705	1.1
101.02453	1.6
106.01427	1.0
109.02959	8.2
111.04518	43.8
119.04977	1.2
127.04008	100.0
127.68313	1.0
134.03738	4.3
135.04535	1.2
137.02467	7.9
149.06032	7.6
153.01938	8.7
155.03499	70.6
163.03987	3.9
165.05577	1.1
167.23294	0.9
167.47260	1.0
173.04573	1.8
178.02728	2.4
179.05626	1.5
181.05064	6.2
188.08493	1.3
189.05540	1.5
191.05629	1.8
193.05074	27.7
199.02498	64.6
232.07504	2.4
247.09760	13.1
290.56522	1.1
291.08813	40.0
311.07846	2.0
351.10898	11.0
411.13248	7.8
471.15387	1.8
501.85068	1.3
671.18304	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
60.83371	1.0
71.01376	2.2
72.02155	1.0
78.44856	1.1
81.03457	6.9
83.05039	2.3
85.02955	3.0
93.03441	4.8
108.62851	1.3
108.63663	1.4
109.02972	1.8
111.03767	2.3
111.04512	52.9
113.02403	1.9
116.92843	1.9
119.05058	1.7
127.04007	100.0
134.03731	6.3
137.02464	4.1
145.02936	2.3
149.06116	9.6
155.03500	70.1
163.04048	1.3
169.99811	1.2
178.02702	1.8
188.78157	1.2
191.05684	3.0
193.05054	33.3
199.02495	81.3
232.07498	2.3
247.09772	17.6
265.07303	1.1
281.07538	1.2
291.08798	46.7
309.09799	1.4
351.10986	9.3
367.10440	1.4
411.12830	12.8
471.15372	2.1
671.18115	26.5
688.75043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36213	0.5
53.67914	0.5
54.58079	0.5
59.01376	6.2
59.26334	0.5
62.13508	0.6
64.17242	0.6
64.39471	0.5
71.01386	3.6
73.51472	0.5
75.14503	0.5
76.96670	0.7
80.64444	0.5
84.18287	0.6
85.02965	0.8
85.47536	0.6
89.02441	7.0
101.02430	3.0
108.02149	5.4
113.02464	2.4
117.01948	0.8
119.03474	3.3
123.04524	8.6
152.01154	15.1
167.03499	100.0
179.05676	2.7
191.05603	3.1
197.04504	0.8
207.58989	0.6
235.00307	0.6
269.01611	3.2
329.03387	0.9
329.08813	12.6
341.10944	27.3
344.93420	0.6
398.80994	0.6
417.29980	0.7
497.10037	1.3
671.20868	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32672	0.7
58.21859	0.6
59.01379	6.6
65.08479	0.7
68.15524	0.6
71.01376	14.5
73.02944	4.7
84.07595	0.7
85.02959	5.9
89.02444	8.8
96.96955	0.9
99.00898	1.3
101.02434	12.8
101.75922	0.7
108.02140	1.1
109.02917	0.8
111.00876	0.8
113.02435	11.7
114.69573	0.7
115.00404	0.8
115.03979	1.1
119.03513	2.8
121.02938	3.9
122.03733	96.1
123.04519	30.2
125.02308	0.8
133.01407	1.7
135.04501	1.5
137.02469	0.7
137.06076	3.2
147.04539	1.4
149.02420	1.3
152.01183	6.0
159.03059	1.0
161.04509	11.2
165.05574	12.3
167.03497	30.8
177.05508	6.8
197.04541	1.1
200.62453	0.8
285.09839	1.6
295.10239	6.0
298.47260	0.8
311.09964	5.5
314.38058	0.9
327.78329	0.9
329.08817	100.0
341.10934	9.3
359.09781	1.2
369.98169	0.9
671.20343	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50391	0.5
59.01382	6.2
61.72593	0.4
69.21481	0.4
70.89790	0.4
71.01370	5.1
73.02912	0.7
73.57705	0.4
76.74648	0.5
78.95888	0.9
85.02963	0.8
89.02441	9.6
101.02464	3.7
108.02161	5.8
110.38782	0.4
113.02448	4.2
119.03469	2.8
122.03695	6.4
123.03636	0.9
123.04506	13.3
135.04468	0.5
138.16063	0.5
143.03436	0.6
152.01147	16.8
161.04517	0.9
164.07104	0.5
165.05553	0.7
167.03494	100.0
179.05624	2.2
191.05673	1.9
218.84572	0.6
226.02174	0.5
329.08838	15.8
341.10916	28.0
360.10208	0.9
396.58353	0.6
513.46472	0.6
516.60242	0.5
582.75854	0.5
656.64856	0.5
671.19989	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32672	0.7
58.21859	0.6
59.01379	6.6
65.08479	0.7
68.15524	0.6
71.01376	14.5
73.02944	4.7
84.07595	0.7
85.02959	5.9
89.02444	8.8
96.96955	0.9
99.00898	1.3
101.02434	12.8
101.75922	0.7
108.02140	1.1
109.02917	0.8
111.00876	0.8
113.02435	11.7
114.69573	0.7
115.00404	0.8
115.03979	1.1
119.03513	2.8
121.02938	3.9
122.03733	96.1
123.04519	30.2
125.02308	0.8
133.01407	1.7
135.04501	1.5
137.02469	0.7
137.06076	3.2
147.04539	1.4
149.02420	1.3
152.01183	6.0
159.03059	1.0
161.04509	11.2
165.05574	12.3
167.03497	30.8
177.05508	6.8
197.04541	1.1
200.62453	0.8
285.09839	1.6
295.10239	6.0
298.47260	0.8
311.09964	5.5
314.38058	0.9
327.78329	0.9
329.08817	100.0
341.10934	9.3
359.09781	1.2
369.98169	0.9
671.20343	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
60.80106	2.5
71.01363	4.8
81.20667	3.2
85.43195	2.9
87.00860	4.5
89.02422	3.6
113.02499	3.3
134.03693	25.0
135.04512	5.9
149.06168	4.2
150.03236	6.3
160.01701	22.3
164.93967	3.1
165.05565	21.9
175.03983	81.2
193.03323	2.6
193.05017	24.7
195.06644	3.6
200.32942	2.9
276.16052	3.8
282.08887	17.5
297.11331	4.5
341.10440	31.7
439.16275	31.9
475.16113	3.6
503.98325	3.6
587.21191	40.1
616.11871	3.4
635.23572	100.0
671.27234	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06627	1.0
60.39424	1.2
61.46970	1.1
63.96566	1.0
66.53711	1.0
66.64993	1.2
66.87955	1.1
67.06113	1.1
78.82885	1.2
92.22481	1.4
129.63408	1.2
134.03729	10.2
139.04054	1.6
149.06079	2.3
150.03249	16.1
154.64108	1.6
160.01704	11.8
164.04799	1.5
165.05563	25.5
175.04008	62.3
180.04210	1.5
193.05077	18.8
195.06708	2.0
239.26637	1.4
241.82831	1.6
250.06366	1.3
282.08978	7.7
300.80328	1.4
313.85321	1.3
341.10318	6.0
439.16077	39.4
619.95697	1.8
635.23572	100.0
692.56897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
62.70593	1.2
71.01386	2.1
72.36047	1.5
77.34179	1.3
89.02455	1.7
93.03448	10.3
100.43468	1.4
101.02436	2.2
121.02935	2.3
131.34155	1.7
134.03722	22.1
135.04524	6.0
137.02451	24.0
149.02383	2.4
149.06113	6.5
150.03242	8.6
154.63602	1.4
160.01669	13.8
164.04846	6.1
165.05574	22.2
166.25514	1.4
175.04021	77.0
193.05133	15.9
195.06653	2.5
250.06415	2.6
254.09482	1.9
267.06802	5.4
274.73792	1.5
282.09006	20.4
297.11362	6.9
341.10269	19.7
421.14981	1.6
439.16141	29.8
587.21442	31.3
604.24280	1.6
635.23541	100.0
671.19336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
75.27264	1.3
76.00986	1.3
78.95901	43.4
96.96980	2.3
99.00893	1.9
99.92580	6.9
100.93334	3.1
115.92056	9.5
116.92865	20.3
128.92865	1.5
150.97923	1.7
152.99585	15.8
163.89742	1.9
164.90514	2.6
178.88440	3.4
179.89165	15.3
180.90031	23.5
181.90710	10.8
196.89534	27.1
205.90735	3.6
206.91508	2.5
221.90327	2.8
224.94899	2.3
235.91878	3.1
236.92581	5.6
255.23338	19.1
264.92438	1.6
268.70993	1.5
324.94302	3.2
435.12512	1.7
475.15884	3.6
536.44006	1.7
573.29608	2.0
631.37506	1.7
635.19550	5.9
671.21588	100.0
671.31488	4.7
674.85742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50255	1.0
55.05468	0.9
60.05170	1.0
70.50666	1.0
78.95899	36.0
96.95991	1.1
96.96939	2.6
99.92585	6.6
100.93377	8.5
115.92069	12.1
116.92852	20.7
126.29554	1.1
138.18616	1.2
150.97974	2.0
152.99593	14.0
163.89769	3.8
164.90488	6.7
178.88422	8.5
179.89259	15.2
180.89986	20.8
181.90733	10.5
186.74158	1.1
193.90739	1.6
196.89491	27.7
196.95485	1.3
205.90761	9.2
206.91597	2.5
207.94650	1.2
218.91484	1.5
221.90282	2.3
224.94919	2.2
236.92659	5.7
241.01303	1.2
251.87440	1.4
255.23332	13.4
259.02222	1.2
324.94153	4.3
341.94150	1.7
435.12338	2.0
475.15652	2.2
492.16031	1.6
546.18475	1.1
573.29877	1.4
635.18951	5.3
671.21515	100.0
671.46967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	41.7
80.69373	1.1
81.65631	1.0
90.88203	1.2
96.95975	1.3
96.96943	1.4
99.00849	1.5
99.92577	7.2
100.31075	1.2
100.93359	5.0
108.99106	1.3
115.92071	13.9
116.92860	20.3
150.97989	2.3
152.99586	25.7
163.89761	1.7
164.90494	2.2
165.01591	1.1
178.88437	11.1
179.89226	15.7
180.89995	21.5
181.90727	13.0
196.89516	30.0
205.90756	6.8
206.91438	1.6
218.91444	1.5
221.90262	4.6
224.95024	4.8
235.91835	2.7
236.92656	2.8
241.01315	1.5
249.22166	1.4
253.21713	1.3
255.23306	27.7
306.93262	2.2
324.94305	2.2
341.94452	4.8
419.13098	1.6
424.30539	1.2
435.11929	1.5
475.15735	5.5
490.04636	1.2
492.16016	2.3
514.25134	1.4
527.19250	1.4
635.19507	6.5
636.08215	1.2
671.21661	100.0
671.34283	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31606	0.9
72.83445	0.9
78.95903	30.7
84.19300	0.8
95.02232	1.0
96.96941	1.6
97.66965	1.1
98.10497	1.0
99.00829	1.2
99.92584	5.7
100.93362	7.8
111.00825	0.9
115.92065	9.4
116.92848	19.2
126.95020	0.9
133.39934	0.9
133.44159	0.9
150.98013	2.1
152.99605	9.4
154.94371	1.2
162.88959	1.5
163.89714	4.0
164.90503	5.2
178.88472	10.8
179.89203	12.4
180.89990	17.5
181.90749	8.4
196.89468	18.5
205.90828	8.4
206.91585	3.7
216.79976	1.0
218.91547	1.3
219.92325	1.1
221.90314	3.3
224.94925	2.0
232.93185	1.2
235.91884	4.4
236.92584	5.2
242.96121	1.2
255.23349	10.1
259.02325	1.7
292.86462	0.9
324.94232	4.0
435.12180	1.1
475.15616	4.0
492.16003	2.1
517.16602	1.0
635.19763	6.5
671.21503	100.0
679.25903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34040	1.4
65.34848	1.5
66.65419	1.7
72.05415	1.6
78.95905	39.5
85.26048	1.8
92.22492	2.5
96.96949	2.5
99.92555	2.7
100.93346	4.2
106.96236	1.6
115.92045	10.4
116.92849	21.1
150.97995	3.6
152.99586	20.4
164.90512	3.3
178.88408	4.2
179.89145	12.8
180.89999	17.1
181.90810	13.8
196.89520	25.0
205.90808	8.3
218.91393	3.0
221.90242	3.7
235.91841	3.8
236.92624	3.8
255.23380	17.2
259.02359	1.8
270.91199	2.2
276.73288	2.1
279.23471	1.9
304.91324	2.1
371.15326	2.1
492.15683	3.4
539.68561	2.1
671.21478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87757	0.5
56.31502	0.7
59.01378	15.3
61.81689	0.5
67.79173	0.5
71.01374	7.6
72.99301	48.3
81.57806	0.6
85.02945	0.9
89.02430	17.3
101.02427	9.2
107.05081	0.6
109.02885	0.7
113.02440	5.1
119.03486	6.6
121.06099	0.6
121.70924	0.7
123.04506	19.1
128.11453	0.7
135.04526	27.1
145.00160	0.6
151.04028	1.4
167.80482	0.7
169.34425	0.6
179.03506	53.8
179.25967	0.6
197.04558	100.0
201.95512	0.6
207.88435	0.7
247.54712	0.6
254.07185	0.7
262.92822	0.6
293.12454	41.6
452.28986	0.8
540.58527	0.7
594.32739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14136	0.7
71.01383	6.7
72.99298	1.8
78.21149	0.8
89.02444	1.0
115.00365	39.0
133.01428	100.0
225.25073	0.9
328.61038	0.9
333.22903	1.0
361.38065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02900	0.8
55.42252	0.8
57.23251	0.9
58.70267	0.8
71.01392	7.4
72.99305	2.2
89.02431	1.5
115.00356	40.2
133.01424	100.0
136.90462	1.2
170.34021	1.2
200.93518	1.1
285.40332	1.2
307.74344	1.0
326.73880	1.0
347.15024	4.1
355.86526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50982	0.8
71.01386	6.7
72.99302	1.9
93.57613	0.9
114.99601	1.7
115.00372	38.2
133.01433	100.0
267.49905	0.9
279.46664	1.0
325.27597	0.9
489.33792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87294	1.1
61.55926	1.1
71.01381	7.9
78.56505	1.2
103.03555	1.1
111.34209	1.1
115.00362	37.9
133.01424	100.0
182.88618	1.5
347.14993	21.8
504.62875	1.4
509.20169	1.8
541.19763	1.4
671.25940	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82271	0.5
52.15591	0.5
55.26637	0.6
59.01390	1.6
70.39514	0.7
71.01379	1.5
82.15126	0.7
89.02457	3.0
101.02432	1.7
113.02436	0.8
114.69573	0.7
119.05027	4.0
121.02934	1.4
133.02953	2.8
134.03752	20.4
135.04465	1.3
137.02438	3.2
137.05962	1.0
149.02386	1.7
149.06062	4.9
150.03236	14.2
160.01646	26.8
161.02467	12.2
164.04829	1.3
165.05554	16.8
175.04002	92.7
178.02821	1.1
179.03508	7.0
191.07156	1.3
193.05045	26.5
194.05896	1.3
195.06680	3.9
221.04466	0.9
235.06149	5.0
239.07173	0.9
250.06477	1.1
251.05573	0.8
251.32455	0.8
281.06650	1.7
282.09045	5.1
305.54398	0.8
309.70328	0.7
341.10199	3.5
403.90137	0.9
475.16138	100.0
509.23807	1.2
529.17023	3.6
623.21545	14.4
671.23596	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67694	1.2
59.01373	9.1
65.08820	1.3
77.18253	1.4
80.12302	1.4
101.79708	1.6
103.21544	1.6
121.02899	2.0
140.88850	1.9
149.02441	26.3
150.03223	63.3
160.01704	2.5
163.03813	1.4
164.04788	8.0
165.05560	100.0
165.06969	3.3
180.04265	8.3
182.74077	1.7
184.03679	1.4
195.06627	51.8
215.10532	1.7
285.11380	2.0
311.09274	1.8
325.10693	5.5
326.11542	3.2
341.10324	64.5
356.12643	24.8
371.14990	72.1
519.20172	38.0
567.22290	5.8
579.22705	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26630	0.9
57.38957	1.0
59.01352	1.0
61.98837	1.1
92.73635	1.2
101.21847	1.1
134.06133	45.9
146.90636	1.1
148.04085	1.9
155.18788	1.2
175.02698	1.6
176.03546	5.2
199.08780	1.2
215.11916	5.6
227.12080	1.5
241.09769	2.7
243.07738	1.4
243.11447	1.8
253.09850	1.8
254.10600	1.2
255.11465	10.6
269.09772	2.7
269.12952	27.1
271.10883	2.1
281.09271	11.7
282.10056	2.6
284.07941	2.0
297.08798	1.2
299.10455	18.1
311.10361	1.5
313.11914	7.3
315.10254	1.4
325.08383	1.9
331.13034	1.6
336.94067	1.1
375.12030	7.3
416.16071	1.7
510.19003	8.4
549.61304	1.3
671.23712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62226	1.6
56.96090	1.6
59.01383	100.0
71.01379	13.1
73.02957	1.6
85.02944	4.6
89.02428	17.9
95.88787	2.1
101.02443	15.4
102.40675	1.9
113.02456	3.5
119.03465	7.8
134.03758	26.8
143.10797	7.5
149.06082	46.7
150.06863	7.8
160.01639	8.8
175.04010	72.9
179.03511	22.1
179.05580	3.7
179.10765	9.2
192.04303	8.1
193.05136	25.0
194.05888	14.8
195.06728	2.9
229.81058	1.9
263.09500	1.9
267.08755	89.1
329.19836	2.4
354.86816	2.0
371.18823	2.3
439.16168	95.2
443.59399	2.2
463.30972	9.0
490.29105	4.3
495.26331	4.4
508.30112	15.6
509.31384	20.6
513.20001	36.1
513.26849	4.6
653.28003	3.3
671.37274	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39926	1.2
59.01379	1.9
63.49393	1.4
86.46271	1.5
94.67695	1.3
101.02426	3.2
113.02440	1.6
117.03484	3.3
126.77766	1.5
134.02718	3.5
134.03735	84.6
149.06082	14.5
160.01657	3.8
171.10257	3.8
175.03987	12.7
183.14032	2.0
193.05061	100.0
193.06819	3.4
211.13351	3.1
271.80627	1.7
277.16760	2.4
283.06268	3.7
329.23401	14.4
390.15417	1.6
627.26648	36.9
671.35596	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49297	1.1
59.01380	30.2
60.67265	1.3
65.09988	1.3
71.01368	17.8
73.02944	1.8
76.16174	1.2
81.93633	1.3
85.02947	5.2
89.02435	21.6
92.23035	1.8
93.03474	1.8
95.94747	1.2
101.02459	11.0
113.02445	7.6
116.92899	1.5
118.11842	1.2
119.03506	6.9
121.05032	2.4
135.04521	18.3
144.71347	1.3
161.02440	6.4
163.04027	3.0
163.11316	5.3
178.04669	1.3
179.03494	30.0
181.12363	44.7
184.89395	1.5
191.05719	2.9
195.13957	2.8
225.11348	22.5
245.49983	1.3
335.07785	25.7
375.44202	1.3
489.69589	1.4
491.21405	28.1
577.18085	1.5
671.27899	100.0
695.24652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.6
59.01380	34.8
71.01376	19.1
72.99319	3.3
78.70557	0.8
81.98341	0.8
85.02952	1.8
89.02439	36.6
89.75031	0.8
95.99740	0.7
101.02441	20.8
102.17857	0.9
113.02444	11.8
113.06094	1.0
119.03490	17.9
131.03380	0.9
131.07153	1.7
135.04507	0.9
143.03464	0.9
150.36263	0.9
151.73022	1.0
153.01909	1.1
157.76370	0.9
179.03517	1.7
184.47064	0.8
185.03764	0.7
197.04539	6.8
293.12454	100.0
469.93713	0.9
480.15643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23481	0.9
57.31054	1.0
59.01381	16.8
71.01385	12.9
73.02911	1.5
74.08140	1.0
85.02933	2.0
87.00813	1.7
88.81669	0.9
89.02443	19.4
95.01349	1.1
101.02439	12.6
108.02088	1.6
113.02383	6.8
119.03424	5.9
121.02885	1.5
121.06624	1.2
123.04440	5.5
123.61829	1.1
134.03723	1.3
137.02341	1.7
143.03526	1.3
161.04469	3.9
165.05455	1.2
175.04034	9.0
179.05501	6.7
193.04893	2.6
194.05696	1.2
197.04411	1.4
205.05003	1.5
221.06526	1.6
278.15259	14.1
285.18555	2.0
303.19412	7.3
329.17624	75.3
347.18671	100.0
361.19949	5.8
439.15707	8.2
440.20306	1.7
456.23257	1.6
587.21771	1.4
635.23175	9.0
671.28357	80.8
672.44116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59753	0.5
56.76340	0.6
57.59566	0.6
59.01381	6.3
61.98828	0.8
71.01384	3.8
71.17772	0.7
73.02943	0.8
82.20103	0.8
85.02969	3.4
97.02956	2.7
100.71986	0.6
101.02422	3.9
113.02425	3.4
141.91457	0.7
147.04495	5.4
149.01233	1.3
149.02435	36.3
163.11055	0.7
164.04793	89.8
171.10283	1.4
175.00330	0.7
176.01280	0.8
179.07146	9.1
183.13892	1.6
190.02736	14.8
205.05084	13.8
208.03758	2.6
211.13402	1.2
223.06125	100.0
229.14342	0.8
283.06113	0.8
291.18207	3.8
308.45148	0.8
317.79666	0.7
327.21762	2.8
465.23825	0.8
567.42487	0.8
573.33130	1.3
629.28711	0.8
671.28058	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.2
59.42702	1.6
63.05198	1.8
64.49625	1.8
71.01366	9.8
72.99308	3.3
75.00861	18.2
80.15902	1.8
83.05032	3.0
84.10876	1.8
85.02930	18.5
87.00867	2.6
88.98797	15.8
89.02434	3.5
90.21954	1.7
99.00868	4.6
100.04468	2.0
101.02441	2.1
108.02167	10.8
113.02429	14.3
208.75172	2.0
222.55359	1.9
271.78229	1.9
277.00211	2.0
299.14069	2.5
333.20685	3.4
356.18292	2.3
491.23376	2.6
509.24066	4.8
671.29468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41490	0.6
61.98831	10.1
78.95905	1.2
85.02921	0.9
93.25350	0.6
93.65869	0.7
113.02448	100.0
150.05630	0.8
194.96715	0.8
233.61935	0.7
255.23322	2.8
301.96869	0.7
320.87799	0.7
627.39124	0.9
671.32135	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3218
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
50.41388	8.7
57.00877	11.6
57.42392	9.0
58.96536	9.6
59.01383	19.5
60.88837	10.2
61.98842	100.0
76.53567	10.8
78.95911	22.4
152.99570	17.6
157.24098	11.5
167.69972	13.7
189.10124	11.2
204.10602	11.5
255.23494	15.8
279.23352	42.9
671.31396	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	25.4
63.99256	4.0
69.94292	0.9
71.01373	1.2
71.49041	0.9
72.99303	51.5
83.33691	0.9
83.41299	0.9
83.64171	1.0
85.43031	0.9
87.47479	0.9
123.04510	11.8
128.90530	0.9
134.03732	1.2
135.04518	19.0
137.91644	1.0
150.06902	8.0
151.04007	10.7
178.02667	2.1
179.03499	67.8
179.10753	4.7
182.05521	1.1
188.39554	1.0
197.04567	100.0
211.13428	1.6
229.14435	1.2
283.06146	4.1
291.27084	1.3
299.63306	1.1
303.36795	1.2
311.37360	1.1
327.25452	2.4
329.23318	5.1
359.09863	6.0
463.34409	5.3
490.32993	6.2
508.34109	10.4
509.27582	20.0
509.34891	19.7
587.44574	1.3
657.27264	1.2
671.31659	87.4
671.41016	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69851	1.1
57.58351	1.1
59.01376	1.5
67.50486	0.9
72.99306	53.0
84.70965	1.1
112.80922	1.1
123.04543	14.1
135.04543	15.1
150.06854	25.8
151.04028	7.5
161.02188	1.2
178.02753	6.5
179.01924	1.9
179.03500	58.7
179.10774	16.4
197.04570	100.0
248.02008	1.2
269.08072	2.6
270.08481	1.8
327.25424	1.8
329.23267	13.4
359.09818	4.4
448.31830	7.5
463.34464	19.0
475.16846	1.3
478.19397	1.5
490.33154	5.8
491.33737	2.9
508.34164	5.6
509.27579	12.1
509.34616	49.0
641.26208	11.9
653.24945	2.9
671.32709	69.8
671.40826	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00994	1.1
54.06702	1.1
59.01101	1.9
59.01381	39.5
61.98835	1.2
67.93861	1.3
71.01377	22.7
73.02942	11.4
79.37743	1.4
83.01378	3.1
85.02938	11.2
86.09394	1.3
87.00852	5.4
89.02435	19.3
95.01348	2.2
97.47693	1.2
99.00868	2.7
101.02432	31.4
113.02425	18.7
119.03509	9.7
161.04543	8.3
171.10280	1.6
175.03999	2.1
179.10710	1.4
192.41652	1.3
273.18704	16.7
333.20779	8.8
495.26089	100.0
509.30603	2.0
513.27069	66.7
627.83026	1.6
671.37225	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75187	1.0
56.42299	0.7
59.01372	1.1
78.95467	1.7
78.95903	34.2
80.13966	1.1
87.41113	0.9
88.31156	0.9
89.02415	0.8
96.96918	2.0
102.68231	0.9
109.69272	0.9
116.92828	1.6
152.99588	84.6
171.00571	3.4
179.01050	1.8
180.89996	1.5
255.23322	100.0
341.06390	7.3
415.09985	2.2
438.39859	1.1
438.99670	1.0
579.97217	1.1
618.98737	1.1
671.21832	9.7
671.34082	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61904	0.7
55.01079	0.7
59.01374	1.2
60.09155	0.7
63.37617	0.8
78.95459	1.5
78.95901	31.8
82.01446	0.9
87.63710	0.8
91.17245	0.9
96.96957	5.0
116.92861	0.9
137.09789	1.0
150.62181	0.9
152.99594	83.4
176.58911	1.0
179.01164	0.9
183.13800	1.0
255.23323	100.0
271.89587	0.9
285.05429	0.9
293.21219	1.9
295.22638	1.1
341.06375	6.3
415.10300	1.3
671.34192	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12054	1.2
53.67934	1.1
59.01382	71.2
68.23800	1.8
70.50330	1.4
71.01371	34.6
73.02924	10.1
75.24201	1.6
79.99843	1.5
83.01375	3.7
85.02951	11.5
87.00847	2.1
89.02433	28.5
95.01350	2.9
99.00859	2.2
101.02443	31.2
111.00832	1.8
113.02444	34.6
118.78930	1.6
119.03470	10.7
122.54997	1.5
127.02614	1.6
132.48190	1.6
150.06850	12.1
179.10760	8.2
205.12196	1.6
283.06152	3.3
329.23416	1.8
336.07919	1.6
448.31876	5.9
463.34460	13.9
509.34818	24.7
611.34351	64.6
629.35455	49.8
671.37732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75128	1.3
58.63870	1.5
59.01382	43.3
61.90796	1.6
65.15840	1.6
71.01375	20.9
71.59650	1.7
75.64594	1.8
78.95912	3.7
80.57477	1.7
83.12842	1.6
85.02935	3.3
89.02435	44.8
101.02446	27.6
113.02455	13.5
115.03998	9.4
117.16880	1.9
119.03508	18.6
129.09251	2.2
140.77637	2.0
152.99586	7.6
181.12343	9.2
255.23334	3.2
263.16486	2.2
279.10837	11.5
279.23380	6.5
293.21338	16.0
308.40302	2.3
311.22327	92.3
395.96466	2.1
573.32892	77.4
603.35785	2.0
671.36719	100.0
671.47650	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.3
71.01370	1.4
71.81171	0.7
85.02921	2.8
87.00871	1.0
89.02447	4.7
93.03433	1.0
101.02419	1.1
109.10060	0.7
111.04645	0.8
113.02378	0.9
125.02428	0.9
134.03741	3.3
136.05310	16.9
137.02428	6.9
145.02931	0.9
149.06104	7.3
150.03220	0.9
150.06885	1.3
155.10837	1.2
160.01598	1.2
162.06827	3.0
164.04738	0.7
165.05626	3.7
167.10794	0.9
171.10307	6.5
171.11595	0.6
175.03990	9.2
191.05589	1.1
191.10808	26.7
193.05077	1.2
231.12315	1.1
241.11682	0.9
244.14687	4.6
259.17032	14.5
271.18991	1.0
282.08984	1.2
285.04135	0.9
317.19714	11.7
336.50732	0.9
341.10416	1.5
439.16217	3.2
445.29733	3.6
469.11447	0.9
472.28448	0.8
490.29584	3.0
491.30252	20.5
508.30139	1.6
509.31281	27.0
587.21552	4.2
635.23462	13.0
671.36670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74763	0.5
52.41560	0.5
59.01385	1.4
71.59705	0.6
76.52646	0.6
87.00902	0.9
95.69330	0.6
102.08195	0.6
124.26358	0.8
131.20126	0.8
136.05299	15.3
138.82986	0.6
150.06833	1.5
152.61624	0.7
163.07607	0.7
165.09200	29.7
171.80843	0.8
174.73878	0.7
179.10791	1.0
184.11205	0.8
211.95963	0.7
229.11009	0.8
261.18787	0.7
307.19220	4.7
311.94321	0.7
321.20679	2.7
343.21313	9.3
350.20837	1.0
355.19260	0.7
395.02798	0.8
396.19003	0.8
445.29892	2.5
463.30746	19.1
484.00388	0.8
490.29028	0.9
491.30334	5.8
508.30444	4.0
509.31262	51.9
671.36609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.57323	0.2
59.01380	0.5
69.03436	0.3
71.01370	0.3
75.00869	0.5
83.05038	0.5
88.37532	0.2
89.02473	0.2
89.07902	0.2
123.08143	0.3
133.10214	1.2
134.03752	0.2
137.02423	0.9
148.65376	0.2
151.11266	0.3
153.12866	2.5
161.09729	2.1
162.89822	0.2
163.11244	2.6
171.13910	0.2
179.14433	0.4
181.12386	1.0
185.82829	0.2
195.13927	1.4
197.15483	0.9
241.14478	100.0
671.25201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
64.77416	0.3
74.24346	0.3
86.26877	0.3
91.37218	0.3
92.23116	0.5
101.02464	0.4
111.00820	0.4
115.44630	0.4
133.10237	1.5
153.01973	0.4
153.12846	3.2
161.09692	1.6
163.11362	2.4
175.04007	0.5
181.12375	0.6
195.13979	1.8
197.15437	1.2
203.11969	0.4
211.64095	0.4
241.14479	100.0
265.07236	0.4
301.24881	0.4
634.14081	0.4
671.24860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.402
Annotation	Guineamide D
Peak:m/z	Relative Intensity
63.21757	1.0
72.99303	29.6
123.04504	7.4
125.96686	1.0
135.04489	8.5
138.68721	1.0
150.06847	29.9
151.04005	4.7
160.05247	2.2
175.07639	1.3
179.03505	40.6
179.10754	22.1
197.04558	68.3
269.08179	4.8
270.08597	2.5
327.25745	1.4
329.23254	14.7
359.09976	2.7
438.04626	1.3
447.35114	1.4
448.31726	11.3
462.33423	1.8
463.34393	29.9
478.19464	5.1
490.32813	5.0
491.33728	7.0
508.33801	8.5
509.27484	8.2
509.34735	65.0
579.20325	1.4
641.26135	10.8
671.31671	30.6
671.40308	100.0
684.65173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51516	0.8
58.49054	0.8
59.01384	1.5
61.98837	26.2
63.99254	3.8
65.57600	0.8
70.74100	0.9
71.65083	0.9
72.99306	33.2
103.72339	1.1
119.58365	1.0
123.04491	6.6
135.04543	8.8
145.87318	1.0
150.06866	20.5
151.03966	4.9
163.07645	2.1
164.08473	1.0
165.40602	1.0
171.10272	1.4
179.03505	38.2
179.10783	14.9
197.04561	58.0
203.50354	1.0
213.82817	1.1
273.39017	1.0
327.25378	5.6
329.23352	10.4
430.45673	1.2
448.31805	6.8
462.33670	6.2
463.34308	17.2
490.33069	16.3
491.34155	4.7
493.81293	1.1
508.34027	28.8
509.27515	9.4
509.34692	52.3
671.31714	27.5
671.40314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.36228	1.0
61.98818	6.1
63.75282	1.0
68.62763	1.1
69.19908	1.2
75.63598	1.1
78.95879	2.3
88.66415	1.2
89.84942	1.0
96.95975	4.7
108.32222	1.0
113.30492	1.4
119.82026	1.3
136.05264	5.3
152.99556	6.6
155.04730	1.3
245.19028	15.6
253.21707	1.9
255.23196	10.0
263.20175	56.5
271.17004	5.9
279.23212	5.8
289.18127	42.7
307.19193	68.3
381.22968	8.5
389.95361	1.4
671.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92772	5.4
59.01377	8.6
67.08067	5.8
78.95928	6.1
83.71966	6.2
103.34296	6.7
114.00396	6.3
117.03475	6.1
122.80908	6.4
156.14005	5.4
167.10785	24.8
215.13904	7.2
243.13945	10.2
255.17505	7.9
255.23251	14.2
273.18542	24.9
279.23071	8.6
297.18622	11.7
565.46472	9.0
627.46893	11.4
671.45825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
65.79699	0.4
67.01898	0.9
71.01371	0.9
72.82046	0.5
79.26376	0.5
87.95822	0.6
90.86727	0.5
93.03451	10.3
111.00908	0.7
111.04523	2.6
120.01236	1.0
133.02924	0.6
134.03755	2.1
135.04530	35.0
137.02505	4.8
155.03508	5.3
161.02516	2.5
173.04555	100.0
178.02754	2.8
179.03510	66.4
191.05632	42.8
344.80472	0.5
352.08023	3.3
353.08835	97.2
512.89178	0.6
672.14667	0.7
697.33673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63513	0.8
61.16180	0.8
64.98237	0.8
67.01870	1.4
71.01382	2.2
74.46252	0.9
78.77910	1.0
93.03458	10.8
111.04508	2.1
121.50045	0.9
134.03726	1.2
135.04524	37.4
137.02429	7.0
155.03539	6.3
161.02417	1.3
164.73016	1.1
173.04550	99.7
176.46111	1.0
178.02715	1.2
179.03508	76.0
188.98509	0.9
191.05638	35.7
223.02286	1.1
251.19113	1.0
319.53967	0.9
352.07846	2.1
353.08823	100.0
390.95215	1.0
625.64435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79987	0.5
54.11659	0.4
60.54065	0.4
65.72838	0.6
72.33155	0.5
85.02967	0.9
86.82283	0.6
94.27132	0.5
115.48746	0.5
132.22392	0.5
135.04514	2.2
161.02435	1.0
173.04555	0.7
173.43396	0.6
179.03476	1.1
191.05630	100.0
197.04625	0.6
303.19803	0.5
353.08832	23.6
384.15900	0.6
510.13757	0.9
679.50201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07461	0.5
55.53724	0.5
58.32907	0.5
58.89409	0.6
59.01376	1.1
60.14619	0.6
65.17292	0.5
67.01897	0.9
68.80263	0.6
69.03443	0.6
70.16422	0.5
71.01396	1.3
82.66543	0.6
85.02943	1.2
89.45174	0.6
92.22517	0.8
93.03432	9.6
109.03027	0.6
111.04514	3.3
120.01253	1.0
128.80701	0.6
134.03722	2.4
135.04521	39.5
137.02435	6.1
149.85532	0.6
155.03493	5.5
161.02409	1.2
162.11897	0.7
173.04543	100.0
178.02744	3.0
179.03500	67.3
191.05611	38.3
352.08054	3.5
353.08817	96.6
379.89832	0.6
434.19858	0.7
469.49399	0.7
637.80316	0.7
652.77502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72106	0.7
69.17665	0.8
72.98899	1.2
72.99306	33.2
76.11995	0.7
77.57687	0.7
97.86617	0.8
123.04531	7.6
130.85432	0.9
135.04517	7.3
151.03960	1.9
179.03514	41.9
181.05017	3.9
197.04570	100.0
215.05548	0.9
327.55276	0.8
343.10696	1.2
359.09891	80.7
472.73529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37899	3.4
53.54693	3.0
61.09608	3.2
65.32191	3.1
71.01374	4.3
72.99306	45.0
86.59160	3.3
103.57483	3.9
123.04503	7.0
124.59284	4.2
133.01425	8.8
134.01956	3.5
135.04543	6.2
139.23541	3.8
139.40358	3.5
143.43121	4.0
151.04002	43.0
167.03577	4.7
178.02634	5.7
179.03461	30.4
195.03046	28.3
197.04570	95.1
203.09697	3.9
233.07567	3.9
343.93127	4.5
359.09927	6.7
405.30231	4.4
446.24701	4.0
511.14474	21.4
645.89941	4.1
673.19983	100.0
673.31262	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99934	0.8
59.01381	2.3
69.81951	0.9
71.01377	1.2
72.99304	42.1
83.35335	1.1
86.46883	1.1
87.39109	0.8
89.02442	2.4
101.02411	1.1
111.31742	0.9
113.02444	1.0
119.03583	1.0
119.81496	1.2
122.15705	0.9
123.04508	11.7
133.01428	5.5
134.03717	2.4
135.04541	11.8
137.02448	4.1
151.04015	36.2
167.03448	1.7
167.57832	1.1
178.02686	6.0
179.03493	31.9
179.73120	1.0
195.01208	1.3
195.03000	32.0
197.04573	100.0
290.88556	1.1
315.10727	1.7
334.57660	1.3
365.23273	1.0
393.81467	1.3
511.14792	14.7
673.19940	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
62.48569	1.0
63.98301	1.0
71.01381	2.0
72.99303	35.7
89.02419	4.4
93.03456	1.5
101.86134	1.1
104.77090	1.1
109.02966	1.8
115.00367	2.0
121.87451	1.2
123.04513	13.8
127.28030	1.1
133.01418	4.9
134.03706	2.2
135.04514	11.7
137.02432	2.2
151.04005	34.3
153.01901	9.7
167.03526	2.1
168.04245	10.3
178.02754	6.8
179.03503	38.1
180.27460	1.1
182.02290	2.5
183.02969	1.4
195.02989	30.6
197.04567	100.0
211.49344	1.4
315.11011	1.5
449.14215	1.3
511.14624	35.3
584.72784	1.2
626.97839	1.1
673.19952	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2163
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
50.83393	0.6
60.67682	0.8
61.35141	0.7
63.18047	0.7
66.09711	0.7
67.78424	0.8
75.00863	1.4
76.04655	0.8
78.80648	0.8
137.23759	0.9
152.99690	0.9
175.33981	0.8
418.40961	0.9
455.17227	1.2
466.16696	1.7
468.18045	1.4
473.18460	3.9
479.17294	3.4
483.20856	6.6
493.18790	4.3
497.18579	1.2
510.15100	14.2
511.16452	1.1
521.18604	3.7
523.16400	5.0
526.15125	25.2
537.17877	1.7
538.18604	5.2
539.20251	1.1
542.15912	1.2
550.14923	5.3
569.16858	15.9
599.17792	1.5
673.21674	100.0
676.40521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43830	0.9
53.65445	1.0
54.82702	1.1
55.21627	1.2
70.02976	10.8
71.01363	1.4
72.00902	9.2
77.96912	1.3
95.02509	1.4
96.00907	13.9
107.92043	1.2
108.81371	1.2
113.03558	38.4
114.01960	60.1
115.00360	2.0
123.05653	7.0
131.04619	100.0
132.03026	14.0
133.01480	2.6
143.04660	13.9
149.03532	10.0
157.06149	5.2
167.04614	10.8
182.02190	2.3
185.05652	2.7
187.03612	1.9
193.02596	7.5
197.04613	7.8
211.03595	37.8
229.04651	52.1
247.05734	97.2
251.97600	1.3
292.38034	1.5
302.36737	1.4
410.75491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	3.7
75.00864	60.6
85.13308	0.5
88.47616	0.4
112.57761	0.5
134.60774	0.5
137.06090	0.6
179.03502	1.0
179.07111	2.3
197.04604	1.1
207.10278	3.1
237.11368	0.8
261.13422	0.5
313.12961	100.0
347.60150	0.5
347.64404	0.5
359.09836	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56583	0.4
59.01402	2.1
71.01408	2.3
89.02431	3.6
92.80222	0.6
99.00904	3.3
101.02460	0.6
105.01910	0.6
113.02487	2.2
114.91309	0.5
119.03500	1.1
123.39125	0.5
131.03557	0.9
147.04492	3.5
149.02438	11.5
149.04497	0.5
163.04092	0.7
164.04797	64.7
179.07137	12.9
190.02731	4.0
191.05656	0.9
205.05080	13.7
208.03804	4.7
213.91031	0.5
223.06133	100.0
271.61267	0.5
281.86920	0.5
311.07785	4.4
511.25668	0.6
567.84766	0.6
585.21967	39.9
673.23157	37.1
673.34027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2364
Annotation	CHEBI:72479
Peak:m/z	Relative Intensity
51.89180	0.8
57.76205	0.7
58.90461	0.9
59.01357	4.7
61.22036	0.8
62.91395	0.8
71.01360	2.3
85.02931	1.5
86.49216	1.0
87.00848	1.4
89.02403	5.1
99.00850	2.4
101.02400	5.1
113.02403	4.0
116.04688	1.0
147.04417	1.5
149.02415	8.0
152.34384	1.0
164.04787	37.4
179.03421	1.2
179.07130	9.9
181.12349	1.5
190.02637	3.9
197.04466	1.0
205.05058	11.8
208.03786	11.8
223.06136	100.0
225.11224	1.9
227.12918	1.3
243.12257	5.5
297.95352	1.2
311.07697	1.3
341.20184	1.1
349.20248	1.7
394.47803	1.2
510.31570	1.7
511.32324	2.1
585.21948	10.3
673.23059	59.9
673.34827	1.9
673.39038	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03445	1.5
57.75397	0.6
59.01381	12.9
59.64532	0.6
61.52405	0.5
71.01377	13.3
72.14350	0.5
72.27219	0.6
72.99300	1.5
73.02940	4.9
75.00864	16.6
83.01376	3.6
85.02943	19.7
87.00869	3.2
89.02427	4.4
90.41980	0.6
95.01382	5.0
96.96016	9.6
96.96923	0.7
99.00860	6.0
101.02449	9.4
102.16165	0.7
109.02978	0.9
111.00928	0.7
113.02442	18.2
115.00379	1.4
117.01864	0.7
129.01944	1.5
133.12567	0.6
134.84911	0.7
135.44753	0.6
153.24513	0.7
157.01443	1.1
171.10231	1.0
172.37135	0.7
175.02477	0.9
219.98235	0.8
239.14854	0.7
294.86572	0.9
335.22314	3.0
493.24908	0.9
511.25531	1.0
629.31866	0.8
673.30890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49980	1.9
59.01383	13.3
63.13809	2.2
67.32082	2.6
69.73779	2.5
71.01378	10.3
72.99290	2.6
89.02423	6.0
90.44689	2.6
95.53514	2.6
101.02427	12.2
102.50202	2.8
113.02425	5.4
113.17484	2.5
115.71976	2.5
119.03479	3.3
125.02402	2.6
125.09631	2.5
172.52965	2.6
197.04576	3.5
203.22070	2.9
257.76373	3.1
261.22263	3.1
287.20187	14.2
305.21262	14.0
312.45575	2.9
313.18106	3.9
331.19183	13.9
349.20300	22.0
467.26566	85.6
493.24515	10.9
511.25647	76.1
673.31104	100.0
701.31512	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3365
Annotation	Gypsin B
Peak:m/z	Relative Intensity
57.60576	5.7
59.01377	11.9
67.63180	5.5
73.66938	5.4
78.95889	8.2
81.34092	6.2
99.90421	6.1
101.86622	6.8
113.73978	6.5
189.16522	6.7
269.21219	38.1
302.91650	7.2
367.22693	6.8
497.37131	7.6
673.33600	100.0
673.45721	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3372
Annotation	Gypsin B
Peak:m/z	Relative Intensity
51.26348	10.4
66.98611	9.2
78.95898	17.5
85.79678	11.6
88.99641	9.7
91.78896	11.5
102.31129	11.4
116.92989	12.7
139.65045	12.7
152.99519	12.8
673.33160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3367
Annotation	Gypsin B
Peak:m/z	Relative Intensity
55.55852	5.7
56.36569	4.9
59.30921	4.9
61.98829	9.9
67.95265	5.5
69.30666	5.1
74.75829	5.0
82.80197	6.0
96.56879	5.7
115.36827	5.6
184.22685	5.5
279.12595	6.3
279.23169	6.0
338.72565	6.9
673.33832	100.0
681.82928	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3369
Annotation	Gypsin B
Peak:m/z	Relative Intensity
60.33488	5.4
61.98827	9.0
97.02921	10.6
102.94598	6.4
149.16837	5.2
279.23386	35.3
282.44070	5.8
344.70163	5.3
365.73169	6.3
673.33417	100.0
673.44537	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43484	5.1
57.42389	5.8
91.33517	5.6
140.25804	6.6
261.27444	6.9
277.22028	23.3
393.58130	7.6
527.28503	7.1
673.33051	100.0
673.43073	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
58.59864	0.4
59.01101	0.9
59.01383	16.4
60.71169	0.4
71.01378	14.5
71.01773	0.6
73.02934	4.4
74.32841	0.4
83.01411	0.7
85.02952	5.3
87.00862	0.6
89.02442	12.1
93.89127	0.5
96.96975	0.5
99.00848	1.1
101.02442	16.7
110.45184	0.5
113.02441	9.4
119.03461	5.9
127.58437	0.4
131.03496	1.0
143.03481	0.6
159.02965	0.9
161.04541	3.1
165.05533	0.8
167.51846	0.5
173.11827	2.3
195.06529	0.7
273.18668	1.0
293.21225	16.5
343.11850	2.3
353.23401	16.7
477.16452	0.8
499.12933	0.6
515.28662	100.0
637.25317	3.6
673.23663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62770	0.8
52.63638	1.0
55.02816	0.9
58.94947	1.0
59.01382	12.8
61.98842	1.5
71.01381	16.9
73.02935	2.1
85.02946	5.4
85.23347	1.1
89.02451	5.0
95.05013	5.2
97.02942	41.0
101.02436	6.8
103.95841	1.3
106.94246	1.1
109.02921	4.1
113.02467	12.7
123.04515	5.0
135.04524	44.6
139.04004	16.7
150.73309	1.1
152.99533	1.0
153.05589	6.7
215.10524	1.1
224.44748	1.2
277.21762	61.5
297.09793	34.8
303.62747	1.4
315.10825	12.3
395.13495	100.0
673.35785	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97686	1.2
65.57806	1.1
78.95899	1.4
97.76270	1.3
98.76998	1.1
103.48486	1.2
123.03637	2.5
123.04517	57.1
152.99506	2.1
153.05573	100.0
241.21707	1.5
255.23494	1.7
277.21811	2.5
673.36267	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3815
Annotation	MK 7924
Peak:m/z	Relative Intensity
53.89534	0.7
54.79027	0.6
56.11954	0.5
57.05399	0.5
59.01365	3.4
71.01372	1.3
73.63449	0.6
89.02427	1.4
101.02437	0.7
136.05290	16.1
150.06799	1.0
165.09203	30.8
173.04523	0.8
225.11279	1.1
255.12480	3.3
255.23305	3.0
334.71127	0.8
345.22745	11.0
417.25031	1.5
447.31558	1.3
450.29840	0.8
465.32275	25.5
465.38794	1.0
492.30917	1.6
493.31711	4.6
510.31982	5.2
511.32779	56.5
567.23474	1.0
673.38165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52894	0.3
53.09161	0.3
67.37347	0.4
70.40546	0.4
85.02947	0.5
89.30604	0.4
93.03466	0.5
93.82755	0.4
129.66904	0.4
135.04471	0.4
138.15431	0.4
138.73959	0.3
161.02428	1.8
191.05621	100.0
192.05966	3.5
193.06075	1.6
353.08826	24.7
354.09543	0.5
355.09412	1.6
469.34650	0.4
470.83350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98444	0.3
51.55115	0.3
52.12530	0.4
53.55312	0.3
71.01366	1.0
72.99303	3.5
76.03696	0.3
85.02924	0.6
91.95968	0.4
101.02436	0.5
108.02148	19.1
108.02865	0.8
109.02943	14.2
113.02466	0.8
121.02950	0.6
123.04527	0.7
135.04524	0.7
151.03990	1.8
152.01143	47.4
153.01926	32.1
153.03204	0.6
163.04001	1.0
165.01915	2.6
179.03491	3.5
197.04547	12.9
315.07242	100.0
359.09894	13.0
363.53000	0.4
630.22113	0.4
655.10065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40891	0.5
52.69876	0.5
59.01385	0.8
59.85549	0.5
63.25629	0.6
72.99302	8.9
81.37160	0.8
85.65963	0.7
92.78915	0.6
108.02161	18.9
109.02945	16.5
123.04537	1.3
135.04520	1.3
151.04001	1.2
152.01152	44.6
153.01935	51.4
163.03951	1.0
165.01941	1.1
179.03508	10.4
181.05080	0.7
197.04573	30.2
225.03987	0.6
315.07266	100.0
359.09900	26.2
359.14450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	16.0
83.05023	15.3
111.04517	14.8
115.03992	15.0
127.04008	59.1
129.05577	4.8
137.02507	3.3
139.51654	0.8
152.71202	0.8
155.03508	62.9
155.04578	3.3
171.02991	5.5
173.05711	2.0
185.90210	0.9
189.04021	4.4
197.04440	1.3
199.02504	46.5
217.03537	100.0
240.51016	0.9
308.89874	1.0
702.60980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40359	0.7
69.81278	0.8
71.01390	0.9
72.99305	14.8
75.17368	0.8
108.02165	14.6
109.02950	20.6
116.67803	0.8
123.04518	2.0
123.36832	1.4
135.04526	3.9
151.05101	1.5
152.01147	38.3
153.01936	59.9
165.01897	1.8
179.03497	19.3
197.04564	55.9
235.00211	3.5
298.24634	1.0
315.07251	100.0
359.09891	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76692	0.3
59.01376	2.0
61.33234	0.3
67.01875	0.4
71.01371	2.0
79.50159	0.3
85.02937	0.6
92.23277	0.4
93.03445	6.6
95.02984	0.3
101.02438	0.4
109.02843	0.4
111.00850	0.5
111.04527	2.2
113.06144	0.5
116.92818	0.7
119.05011	12.8
127.03993	0.6
130.08807	0.4
131.07135	2.4
137.02431	2.7
145.02977	1.7
155.03522	4.0
163.04013	14.2
173.04550	100.0
191.05632	28.6
327.08817	0.5
337.09348	56.9
524.43866	0.4
675.18469	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07686	0.1
59.01367	0.3
60.87470	0.1
61.03740	0.1
61.24352	0.1
61.30891	0.1
62.47119	0.1
92.23096	0.3
96.64907	0.2
114.08335	0.1
140.42508	0.1
226.13609	0.2
232.77925	0.2
252.98997	0.2
267.06430	0.3
268.03787	40.8
281.04544	1.0
283.06134	100.0
325.07306	0.3
462.09598	0.2
605.51685	0.2
658.31201	0.2
675.19275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34164	0.1
50.38562	0.1
52.94045	0.2
56.86895	0.2
59.01405	0.3
63.77884	0.2
63.78213	0.2
78.30441	0.2
85.63970	0.2
87.54083	0.2
147.46249	0.2
242.11345	0.2
268.03799	45.1
281.04639	0.5
283.06143	100.0
325.07391	0.2
547.25073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83585	0.3
53.81656	0.4
57.26416	0.3
58.29036	0.3
59.01372	0.8
59.82136	0.3
60.99303	0.3
61.36364	0.3
61.70112	0.4
66.76499	0.4
67.01887	1.4
71.01381	1.0
83.05024	0.5
85.02944	0.8
87.00862	0.8
93.03452	11.1
99.44090	0.4
104.28672	0.4
111.00943	0.4
111.04528	3.8
119.05012	11.2
134.03702	2.9
137.02452	4.0
143.05013	0.8
145.02928	0.9
149.06113	2.9
155.03497	4.4
161.02472	0.8
163.04007	16.4
169.94789	0.4
173.04550	100.0
177.01895	0.6
178.02780	3.4
191.05630	62.6
193.05067	14.3
211.07637	0.6
214.87201	0.4
225.04256	0.4
233.04504	1.5
265.08755	2.8
266.29657	0.4
277.03494	1.6
309.07675	0.5
319.04532	0.5
327.08804	10.5
337.09332	60.7
339.72702	0.5
355.10455	5.0
493.38269	0.5
501.14172	1.9
558.06323	0.5
675.19434	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87668	0.5
59.01390	0.5
66.12418	0.4
66.38821	0.5
87.00832	0.8
90.33173	0.5
93.03437	1.2
108.05032	0.5
111.04467	0.8
119.05012	33.2
127.03958	0.6
138.05627	1.4
155.03490	2.9
163.04005	100.0
173.04568	6.6
191.05621	29.5
192.05878	0.6
269.73767	0.5
327.08676	0.9
337.09344	45.5
343.89755	0.6
353.08746	1.1
354.22110	0.6
501.13370	0.7
675.19440	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99223	0.6
55.37962	0.5
59.01381	1.3
67.01871	1.2
67.65805	0.6
69.03484	0.7
69.18597	0.5
69.54916	0.5
71.01397	2.1
85.02920	0.6
87.00875	4.5
93.03449	26.5
93.04034	1.2
95.19478	0.6
100.52712	0.6
111.04510	6.3
119.03471	0.7
119.05016	2.8
127.03938	1.0
129.01930	0.9
134.03741	3.1
137.02449	1.3
145.08728	2.8
149.06151	0.7
155.03526	3.8
163.04039	9.4
173.04549	56.2
191.05627	100.0
193.05101	7.1
254.52861	0.6
296.71356	0.6
307.13989	5.0
337.09332	17.8
352.69269	0.7
367.10370	41.9
458.67783	0.7
501.14127	0.9
537.48492	0.7
575.57166	0.8
675.18994	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61606	0.5
53.91349	0.5
54.26825	0.5
59.01374	0.8
67.01886	0.6
70.62314	0.6
71.01347	0.6
71.38653	0.5
80.67291	0.6
81.15411	0.6
81.98888	0.5
85.02938	1.3
87.00887	2.5
93.03452	7.4
109.02889	0.7
111.04501	4.1
119.04171	1.3
119.05012	35.1
125.97810	0.8
128.83420	0.6
130.12057	0.6
137.02409	2.5
138.05577	2.3
145.02988	0.7
155.03500	5.5
160.63779	0.8
163.04007	93.3
173.04549	27.5
191.05623	100.0
196.00655	0.6
216.45139	0.6
235.42819	0.6
237.09152	0.8
239.10776	1.0
283.09857	7.0
327.08789	19.9
336.50003	0.7
337.09332	56.6
353.09073	0.9
369.51291	0.8
501.14053	9.5
675.19409	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65850	0.5
55.11044	0.4
66.46902	0.5
71.01375	1.2
81.03471	0.6
85.02930	3.2
87.00857	1.2
93.03449	11.0
111.04456	3.5
113.99578	0.7
114.19682	0.6
119.04992	10.0
127.04013	0.9
137.02386	3.7
140.65146	0.5
155.03506	4.8
163.04004	13.2
173.04541	69.0
191.05623	100.0
203.03552	0.7
237.09018	0.8
239.10806	0.8
265.08603	0.6
283.09744	2.1
297.12152	0.7
313.82700	0.6
327.08755	7.0
337.09320	31.4
373.64944	0.6
422.74341	0.6
474.18552	0.6
501.14059	4.8
539.20490	0.7
675.19128	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65850	0.5
55.11044	0.4
66.46902	0.5
71.01375	1.2
81.03471	0.6
85.02930	3.2
87.00857	1.2
93.03449	11.0
111.04456	3.5
113.99578	0.7
114.19682	0.6
119.04992	10.0
127.04013	0.9
137.02386	3.7
140.65146	0.5
155.03506	4.8
163.04004	13.2
173.04541	69.0
191.05623	100.0
203.03552	0.7
237.09018	0.8
239.10806	0.8
265.08603	0.6
283.09744	2.1
297.12152	0.7
313.82700	0.6
327.08755	7.0
337.09320	31.4
373.64944	0.6
422.74341	0.6
474.18552	0.6
501.14059	4.8
539.20490	0.7
675.19128	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52120	0.3
59.01373	1.8
60.99304	0.4
62.67039	0.4
64.78556	0.3
67.01872	0.4
71.01382	0.8
72.50562	0.3
77.44561	0.3
93.03442	8.6
97.52922	0.4
111.00848	0.4
111.04480	2.6
119.05013	11.3
127.03983	0.7
137.02437	4.7
155.03497	5.8
161.02518	0.4
163.02638	0.6
163.04010	16.6
169.72412	0.4
170.36127	0.4
173.04549	100.0
174.04826	0.5
175.04976	0.4
179.03419	0.4
191.05635	11.0
191.07352	0.4
199.02478	0.7
206.05936	1.5
209.25348	0.3
217.03502	1.5
221.08197	3.9
265.07159	1.5
337.09326	48.2
353.08704	0.6
355.10367	4.8
450.87738	0.4
471.99933	0.4
517.16626	0.4
675.20715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39921	0.4
59.01380	1.1
67.01898	0.5
67.70878	0.4
71.01389	0.8
78.30911	0.4
84.46976	0.5
85.02943	3.0
87.00871	2.0
92.45947	0.4
93.03446	10.3
96.99307	0.6
100.65044	0.5
109.02934	0.6
111.04518	2.4
119.05025	4.0
127.04010	2.0
137.02510	1.1
143.05023	3.2
154.68591	0.5
155.03481	2.1
163.04019	11.4
173.04552	32.3
191.05632	100.0
203.19025	0.5
211.07684	1.2
235.07648	0.6
237.09190	2.2
239.10869	0.7
265.08740	8.5
283.09756	2.2
289.05722	0.5
309.07776	2.9
327.08780	32.3
337.09335	2.1
342.26312	0.5
501.14157	12.9
675.19366	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22048	1.4
59.01382	8.0
66.02501	1.5
71.01362	2.7
74.57906	1.4
81.03484	2.3
83.05025	10.4
89.02449	3.5
92.22395	1.7
93.03452	64.1
96.02190	1.7
101.02448	2.0
109.02921	1.7
111.04511	32.7
133.02962	78.9
134.03738	15.7
135.04520	15.2
137.02443	96.6
140.34636	1.6
144.98849	1.6
150.03220	2.4
155.03511	45.6
159.04512	2.6
161.02434	8.8
161.06097	7.4
165.30423	1.8
177.01924	31.5
178.02713	35.2
179.03496	37.8
180.03519	1.8
193.05060	26.2
202.64529	1.8
297.07855	1.6
309.45554	1.8
333.06207	26.9
339.08856	22.0
349.09283	15.8
495.13062	100.0
593.19708	1.8
675.19415	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
53.52306	1.4
59.01392	2.2
61.98771	1.4
78.95909	37.7
96.96976	3.3
98.97244	1.7
101.44363	1.8
112.89109	1.5
118.52555	1.9
152.99597	28.8
182.70909	1.7
207.10191	2.2
223.81152	2.0
225.11307	6.4
236.07132	2.4
241.01245	3.3
277.21725	22.7
280.06244	13.6
285.09100	1.7
290.04407	3.2
292.06268	2.0
295.22897	3.5
308.02127	3.6
308.05688	86.3
323.08017	47.4
338.10367	100.0
554.67682	2.1
593.27429	21.1
675.35278	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81945	0.8
53.32654	0.8
62.31255	0.8
73.02956	1.0
78.95908	2.2
85.76370	1.1
89.63102	0.9
95.99531	1.0
124.50540	1.0
136.27480	0.9
152.99632	2.2
192.69038	1.1
236.07300	6.8
252.06749	1.7
256.14801	1.2
262.05276	1.2
264.06540	2.2
272.57828	1.0
277.21591	1.0
280.06195	12.8
290.04483	2.2
292.06183	1.4
294.07605	2.2
306.07562	1.6
308.05692	88.2
309.62085	1.0
323.08054	53.5
338.10370	100.0
344.50018	1.0
504.43570	1.2
593.27814	1.4
675.34784	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51963	0.5
53.30317	0.4
53.41373	0.4
54.89101	0.4
54.99967	0.5
55.20284	0.4
60.86544	0.4
65.82866	0.5
72.99306	30.6
110.59186	0.5
120.52673	0.6
123.04490	5.2
135.04535	7.9
144.60138	0.6
153.05598	1.0
179.03508	31.4
197.04575	100.0
248.30409	0.6
298.50827	0.6
314.18164	0.6
328.46133	0.6
354.27399	0.5
359.09894	74.0
374.63849	0.5
446.72665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83360	0.4
53.01767	0.4
54.75632	0.4
56.52434	0.5
63.83500	0.5
64.10227	0.5
72.99305	28.6
76.81116	0.4
123.04504	5.2
135.04532	6.4
153.01913	1.1
169.01323	0.9
176.82188	0.6
179.01909	1.1
179.03506	32.6
197.04567	100.0
204.41057	0.6
267.72165	0.6
273.62576	0.6
334.00555	0.6
355.07919	0.7
359.09882	80.3
432.64838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00883	0.6
59.01361	0.6
60.99315	12.3
71.01391	0.7
77.27359	0.5
85.17355	0.5
88.98801	100.0
89.02415	0.5
101.02416	0.7
105.07178	0.6
147.92809	0.6
164.04822	2.8
190.69342	0.6
223.06133	2.8
233.46378	0.6
268.97589	0.7
408.61835	0.6
435.81412	0.6
585.22632	1.2
675.31848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18437	1.0
59.01382	100.0
71.01377	18.1
73.02937	7.4
80.60030	0.9
83.01396	1.4
85.02957	8.5
89.02451	2.3
93.03439	1.0
99.00865	1.7
101.02427	18.5
101.06083	6.5
113.02448	12.0
119.05051	8.2
122.64949	1.1
155.03627	1.1
159.03023	1.9
161.04568	16.4
163.04012	16.1
173.04581	4.3
174.05037	1.0
181.05092	2.3
189.07712	1.1
189.77887	1.1
191.05635	6.7
234.20993	1.2
245.10188	1.4
263.11420	13.0
305.12460	70.1
327.09546	1.2
349.11475	1.2
454.33841	1.2
518.18616	1.4
538.31097	1.3
675.19458	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87354	0.5
57.90263	0.5
59.01377	3.3
69.24510	0.7
71.01383	2.1
76.23035	0.5
89.02435	2.2
90.77585	0.6
98.19444	0.6
101.02455	1.2
113.02412	1.1
116.92851	0.6
135.04489	0.7
135.53900	0.6
137.02435	0.7
145.08699	3.8
149.02448	9.5
151.03935	0.7
152.01149	7.1
163.03987	2.6
164.04797	29.1
165.01918	2.5
165.05179	2.7
166.05391	0.8
167.03479	0.8
169.05093	1.3
171.36568	0.6
179.03584	0.8
179.07169	9.4
180.04306	4.8
190.02750	0.8
193.01401	6.0
195.06584	4.2
208.03777	55.9
223.06133	100.0
224.06407	5.9
225.06633	3.1
247.45169	0.6
355.41263	0.6
382.11230	0.6
451.15866	0.9
587.22266	4.3
627.21130	1.3
675.23431	12.0
675.32324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
67.01891	4.5
71.01382	1.1
73.02964	0.4
74.40128	0.2
75.99835	0.2
85.02927	1.7
86.57546	0.2
101.02453	0.4
105.83260	0.2
111.00874	100.0
113.02438	0.2
114.71215	0.2
162.91685	0.2
211.73833	0.2
220.91145	0.2
300.09988	0.3
372.53586	0.2
388.01370	0.2
411.38007	0.2
508.47049	0.2
675.23334	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
65.04684	0.2
93.03449	31.4
134.03847	0.2
137.02440	100.0
139.81859	0.2
150.98758	0.2
170.16676	0.2
175.04042	0.5
323.26581	0.2
445.17874	0.3
531.59375	0.2
579.29761	0.3
675.22015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27156	1.5
51.11792	1.6
59.01381	1.8
65.58455	1.5
88.35807	1.8
109.20531	1.6
128.23790	2.0
135.04475	1.7
149.02438	10.1
163.03998	3.4
164.04770	18.1
175.00378	7.4
179.37529	1.9
190.01010	3.3
190.02727	71.1
191.03499	8.0
205.05096	66.1
205.42604	2.0
223.06123	10.6
265.07092	2.1
283.06131	9.2
308.37454	1.8
675.23022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47032	0.6
59.01385	1.4
60.99300	1.0
65.39968	0.6
67.01878	0.8
71.01382	1.3
75.43989	0.7
82.37271	0.7
85.02989	0.6
87.00868	4.4
89.02431	2.9
93.02865	0.9
93.03453	23.8
96.96014	3.0
101.02480	0.8
111.04536	5.1
113.02409	1.3
119.03493	1.2
120.81237	0.6
134.03722	2.5
145.08722	7.0
155.03488	1.0
173.04573	10.0
175.03931	3.5
178.18735	0.8
191.05629	100.0
193.05043	8.1
307.14005	18.9
318.02896	0.8
367.10364	50.8
439.16205	1.3
640.91309	0.8
675.24133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99368	0.6
57.91938	0.5
59.01384	1.2
60.99296	0.8
62.81814	0.6
67.01882	1.3
71.01374	2.5
85.02946	1.4
87.00901	5.5
88.72617	0.6
89.02441	1.1
93.03449	24.3
93.65180	0.6
111.04513	5.5
113.02464	0.8
119.05016	2.3
122.48037	0.6
134.03734	1.0
145.08688	4.4
163.03995	4.6
173.04553	27.1
191.05627	100.0
193.05092	6.8
212.72327	0.6
280.88535	0.7
307.14056	12.3
337.09268	8.4
367.10376	50.2
491.37320	0.9
675.19952	5.8
687.12396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19591	0.8
59.01380	45.1
66.24379	0.7
71.01379	32.4
72.99311	1.1
73.02934	3.4
85.02947	5.6
89.02440	60.2
99.00852	2.2
101.02437	30.1
101.06084	0.9
109.42660	0.9
113.02445	20.3
115.03998	1.4
119.03494	25.4
124.03349	1.0
127.06272	0.8
131.03534	3.5
143.03499	1.4
161.04568	7.8
164.07195	4.4
176.25992	0.9
179.05612	1.9
191.05650	6.9
226.08920	0.8
257.99066	0.8
279.10883	100.0
306.17645	0.9
314.69186	0.9
321.64529	0.9
339.13885	1.0
346.18677	0.9
359.10153	1.3
395.15613	39.9
467.86502	1.0
551.63190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58531	1.5
65.06059	1.5
65.10675	1.8
77.16164	1.8
78.95901	31.7
81.95258	1.5
96.96952	4.2
109.89575	1.8
111.30766	1.6
143.81651	1.8
152.99593	79.3
197.46545	2.0
223.00124	12.5
241.01176	21.3
247.62172	1.9
252.06613	1.8
277.21747	65.1
280.06183	11.3
280.99106	2.1
281.79297	1.9
299.00320	2.2
308.05679	66.1
315.04886	7.5
323.08035	39.0
338.10379	77.6
351.25323	3.3
593.27374	100.0
653.13306	1.9
675.25812	2.9
675.35663	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82709	1.2
54.25433	1.4
59.01387	1.6
63.07560	1.2
64.12518	1.3
78.95903	27.0
92.23058	1.6
92.92486	1.4
96.96959	5.4
152.99600	49.6
153.42316	1.4
188.38304	1.5
241.01222	34.0
277.21744	74.2
280.06232	2.5
308.05695	19.5
308.13293	1.4
315.04858	7.1
323.08093	12.0
338.10431	16.8
347.53998	1.5
406.71686	1.6
593.27448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59874	0.8
63.99094	0.7
72.99299	3.5
75.00869	85.3
79.55051	0.7
127.27766	0.7
163.31274	0.8
179.07225	1.7
207.10251	4.4
217.03534	0.9
237.11374	1.4
294.65567	0.8
313.12967	100.0
394.80124	0.8
539.54028	0.9
633.22906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96941	0.4
59.01382	3.7
74.84655	0.4
84.63924	0.4
87.00858	0.9
93.03432	3.5
101.02480	0.6
105.82620	0.4
119.05016	45.4
155.03471	0.9
155.16563	0.4
163.04013	100.0
173.04562	4.5
191.05615	15.8
197.21036	0.5
204.35652	0.4
232.43169	0.6
262.45627	0.4
305.12476	2.7
325.09326	34.0
327.08740	6.1
382.04538	0.5
456.07147	0.4
484.02435	0.5
501.14023	2.1
675.19183	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93712	0.4
59.01382	0.7
60.23708	0.4
60.99306	0.7
63.30757	0.4
66.09450	0.4
66.16457	0.4
67.01879	1.7
69.03473	0.5
71.01369	1.8
71.01904	0.4
84.51200	0.4
87.00872	6.4
89.02410	0.7
93.03455	22.9
101.02430	0.6
111.04513	4.9
113.02429	0.6
117.64273	0.4
119.05022	0.4
120.82257	0.4
134.03761	3.3
145.08745	3.3
155.03491	1.8
163.04015	2.7
173.04558	24.0
175.03995	1.7
191.05630	100.0
193.05058	8.2
266.77872	0.4
307.13965	5.7
327.08810	0.7
337.09421	3.8
367.10370	45.2
488.33362	0.5
515.90002	0.5
675.18658	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42592	0.5
58.07194	0.6
59.01384	6.6
59.75206	0.5
64.24578	0.8
70.02979	10.2
71.01394	1.5
82.02991	6.7
85.02959	1.3
86.03785	0.7
89.02454	1.4
91.05522	7.9
95.97539	0.6
101.02399	1.5
113.02426	7.7
116.07057	0.8
118.06623	4.4
119.64381	0.7
122.08909	0.7
141.77138	0.7
145.03018	0.8
147.04526	5.7
156.10316	3.8
174.09250	23.5
191.05667	0.8
191.66884	0.8
200.09320	1.5
200.12904	2.9
209.91078	0.8
218.08238	100.0
223.06200	0.7
265.08322	48.0
515.28204	1.0
517.29388	3.3
587.28802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10415	0.3
59.01384	4.6
63.67547	0.3
71.01375	5.0
73.02942	2.0
74.93195	0.3
75.34324	0.3
83.01400	0.5
85.02940	1.4
87.00862	0.7
87.30815	0.4
88.38718	0.3
89.02441	5.7
92.22556	0.4
96.96002	0.4
97.02938	0.4
99.00850	0.4
101.02441	8.2
113.02445	3.6
119.03490	2.2
124.50941	0.4
125.02457	0.6
131.03485	0.6
161.04552	2.8
165.05618	0.5
179.05623	0.7
181.05081	0.4
192.24915	0.4
208.03870	0.5
221.06705	2.7
223.06093	0.8
225.07684	1.4
267.79950	0.4
273.18710	0.6
291.19650	0.8
315.19638	0.6
322.18298	0.4
333.20706	2.7
351.21756	3.1
369.94217	0.4
495.26205	1.6
513.27032	6.9
657.31555	0.5
675.32495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3529
Annotation	Dianthin C
Peak:m/z	Relative Intensity
53.12541	5.7
56.54457	5.5
66.61118	6.1
78.95912	42.0
94.82645	6.6
105.12856	7.7
109.38393	6.4
152.99617	11.5
163.51344	8.2
213.59639	6.6
228.29884	7.7
241.64241	7.1
587.16370	7.4
603.53632	9.9
675.35144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3542
Annotation	Dianthin C
Peak:m/z	Relative Intensity
55.35684	3.9
56.16431	3.4
61.26891	3.5
70.35294	3.5
75.98991	3.7
78.95898	28.9
80.04467	3.9
87.54018	4.2
87.99310	4.0
108.02177	15.9
109.02950	18.5
131.80841	4.2
152.01097	38.8
153.01967	16.2
165.26781	4.2
168.71443	4.6
209.70953	4.6
252.77814	4.4
255.23294	5.0
279.23276	20.6
294.74283	4.8
445.21640	5.2
675.34601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66755	1.0
59.01380	38.2
65.28725	0.9
71.01375	21.6
73.02945	4.3
83.01393	4.6
85.02956	1.8
87.00885	4.9
89.02440	33.5
91.03974	1.1
95.01395	1.6
95.89289	1.0
97.02941	4.9
99.00848	1.3
101.02447	23.3
113.02445	14.5
119.03490	6.4
125.02427	9.6
143.03503	2.0
150.68857	1.1
161.04507	4.4
161.07570	1.1
179.05603	2.1
235.08275	8.5
253.09233	1.4
277.21735	83.3
287.07755	3.8
305.08813	1.6
380.86072	1.1
397.13547	100.0
415.14606	32.2
661.04315	1.0
675.36066	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.0
55.64064	0.6
55.78690	0.6
59.01382	40.2
69.03469	1.0
71.01375	22.9
71.01734	1.5
73.02939	4.1
78.95895	1.0
81.03471	1.5
83.01379	3.7
85.02946	5.5
87.00884	3.7
89.02444	29.7
97.02949	4.0
98.69293	0.7
101.02436	24.2
111.04463	1.0
112.23242	0.8
113.02447	14.5
119.03499	7.3
125.02449	9.2
126.62083	0.8
133.05066	1.0
143.03464	0.9
161.04585	5.8
205.62039	0.8
221.06757	2.8
224.79669	0.9
235.08290	6.7
243.41249	0.9
253.09354	1.5
277.21747	92.9
305.08820	2.9
397.13538	100.0
415.14581	31.0
463.71976	0.9
675.35834	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34470	0.9
54.06180	0.8
54.90557	1.0
55.01891	0.8
56.07217	0.7
57.03455	1.1
59.01380	26.5
61.98839	1.1
71.01373	19.8
72.99343	1.1
73.02945	7.2
78.95901	3.7
81.03455	1.6
83.01392	4.7
85.02936	6.9
87.00863	17.1
87.04482	1.0
89.02438	31.5
97.02948	4.3
98.14502	1.0
99.00887	1.0
101.02436	34.2
102.40228	1.1
110.99408	1.0
113.02451	15.0
119.03493	8.2
125.02416	14.2
135.39386	0.9
143.03479	3.9
152.99658	1.9
161.04530	5.7
164.61209	1.0
166.58784	0.9
171.03094	0.9
179.05574	4.0
186.59920	1.1
198.02200	1.1
203.05557	1.4
221.06720	1.5
235.08188	10.0
242.31468	1.0
253.09236	4.5
277.21747	100.0
287.07727	2.3
305.08734	4.5
307.19101	1.1
395.93570	1.2
397.13528	90.3
415.14621	47.5
500.23962	1.1
610.50763	1.2
618.34576	1.0
675.25311	3.3
675.36285	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
62.24324	0.2
71.01366	0.3
97.02941	11.5
99.04520	0.5
134.78943	0.3
169.31616	0.3
170.09085	0.3
174.16029	0.3
182.10628	0.3
217.99333	0.3
255.23315	100.0
353.26962	3.6
359.13562	7.4
421.95358	0.3
517.32996	0.7
609.61700	0.3
615.37482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3973
Annotation	Ustilipid B
Peak:m/z	Relative Intensity
52.58537	0.3
53.87010	0.3
55.90765	0.3
55.98429	0.4
56.03503	0.4
56.74490	0.4
57.27079	0.4
59.01382	10.0
61.98828	0.6
71.01385	2.0
73.02946	0.5
89.02459	1.0
92.23175	0.5
101.02403	0.7
102.09001	0.4
113.02422	1.8
164.60912	0.4
167.99292	0.4
177.87981	0.4
212.74109	0.5
255.23317	100.0
261.09952	0.6
277.21884	0.7
517.34119	5.9
670.41003	0.6
675.37592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52168	0.3
55.83171	0.4
56.84813	0.3
59.01355	0.5
61.86677	0.3
66.09314	0.3
92.23354	0.4
189.95454	0.4
267.06433	0.6
268.03754	22.2
283.06122	100.0
284.06479	0.6
308.05722	0.5
338.10205	0.5
379.25525	0.5
391.44525	0.4
442.65906	0.4
538.60248	0.5
633.18195	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44608	0.2
56.08532	0.4
61.06314	0.4
61.36382	0.3
62.23655	0.3
72.05099	0.3
81.89545	0.3
84.34396	0.3
87.81865	0.3
90.84373	0.3
92.22558	0.5
93.91819	0.3
101.03465	0.3
109.14334	0.3
163.40018	0.3
169.42789	0.3
182.85599	0.3
268.03784	23.7
283.06131	100.0
357.17374	0.3
397.01962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54200	0.5
58.98253	0.5
59.01363	0.8
66.38711	0.5
71.19468	0.6
72.26620	0.5
81.82299	0.5
89.02391	0.7
92.19432	0.6
111.84866	0.6
119.05018	0.6
121.37246	0.8
122.17297	0.7
163.04022	0.8
215.10095	0.7
258.58395	0.6
268.01108	1.2
268.03775	21.3
283.06137	100.0
284.06400	0.9
469.08673	0.8
633.18182	5.1
650.67255	0.7
652.31305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98227	0.7
115.45834	0.9
134.03731	13.0
146.60591	0.9
163.55374	0.9
180.02731	2.0
180.04286	43.7
195.06633	100.0
200.78783	1.0
357.11957	39.7
383.72427	0.9
431.26324	1.1
454.12561	1.1
468.14706	5.7
601.14362	1.0
676.20367	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.1
60.22213	1.2
61.16737	1.3
73.43117	1.3
78.99761	1.4
103.22383	1.5
114.19681	1.4
114.91900	1.6
132.21335	1.6
133.94731	1.7
134.03741	100.0
135.04587	2.6
147.04523	1.8
149.38312	1.4
162.03210	2.7
177.05571	3.6
177.18370	1.4
195.06628	5.8
217.61621	1.4
303.14102	1.5
357.11783	1.7
360.14215	1.5
389.26242	1.8
454.12634	10.5
468.14594	41.3
637.42322	1.7
676.20636	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01607	0.4
61.98832	100.0
105.88532	0.5
106.28325	0.5
113.02453	0.7
268.03705	0.7
274.84564	0.5
283.06223	2.0
284.06595	2.1
334.70465	0.5
381.50223	0.6
613.32587	0.8
676.31714	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59823	1.5
57.27380	1.5
57.38978	1.6
58.17265	1.6
59.01384	100.0
72.99307	39.7
74.10464	1.5
81.62479	1.8
81.66038	1.9
85.02940	2.0
94.32591	1.8
103.00401	2.6
103.03998	8.9
115.04030	2.4
116.46452	1.6
123.04543	9.9
133.05072	74.0
134.03757	3.7
135.04524	11.9
148.09830	1.8
175.06097	36.6
179.03490	46.1
180.40355	1.9
197.04552	94.0
212.75966	2.0
219.05182	6.8
272.13879	1.9
359.09900	15.4
405.78058	2.0
406.63657	2.0
457.13586	94.9
469.14313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
58.60624	0.2
63.62687	0.2
65.47196	0.2
69.03454	0.3
83.05040	0.2
85.02949	1.7
113.02441	100.0
150.03181	0.4
156.22523	0.2
164.04710	0.3
165.05565	1.3
166.02765	0.2
181.05048	0.7
195.06664	0.3
205.05157	0.8
223.06036	0.3
265.07193	0.8
367.10208	0.3
417.15720	1.1
419.13446	0.4
422.06100	0.2
461.14590	0.3
563.17719	3.2
637.01404	0.2
677.21478	0.3
695.53021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46810	0.9
59.01371	4.2
67.63487	0.9
67.74007	1.0
69.05515	1.0
71.01368	1.0
85.23248	0.9
95.55855	0.9
96.96048	1.5
99.00885	4.5
101.02471	1.1
102.88751	1.1
109.85594	1.2
116.08233	1.1
117.03477	4.9
134.03745	94.4
149.06079	14.1
156.58836	1.1
160.01665	7.3
163.64552	1.0
174.37767	1.1
175.04001	14.3
178.02713	2.5
191.05637	1.4
193.05084	100.0
283.06094	5.8
284.06546	6.7
633.22107	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
59.90173	0.4
62.44115	0.5
71.01376	1.3
72.99306	0.6
78.38759	0.5
84.19594	0.4
85.02948	0.7
89.02444	0.7
90.13024	0.5
101.02437	2.0
107.86295	0.5
112.88441	0.5
113.02411	0.9
119.03516	0.5
141.17960	0.5
146.30852	0.5
149.33487	0.4
168.57866	0.6
181.30293	0.5
196.07410	1.2
223.06102	0.7
231.18762	0.5
275.41281	0.5
280.06149	1.0
294.07895	1.0
308.05695	100.0
322.07294	1.9
323.04184	1.3
323.08038	39.0
337.65021	0.5
338.10385	76.5
585.58704	0.5
677.24725	2.5
677.33844	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.5
59.68021	0.8
71.01378	14.2
72.69476	0.8
73.02947	3.8
83.05024	5.2
85.02957	0.9
87.00863	1.7
89.02440	26.1
93.03452	42.6
95.01406	0.8
101.02430	11.7
104.76080	0.7
107.05012	4.0
111.04512	49.0
113.02460	9.0
119.03487	11.3
131.03459	1.0
135.04541	1.3
137.02443	74.0
143.03503	2.8
149.04652	0.9
155.03506	52.6
161.04523	1.7
173.04533	7.8
174.13690	0.8
179.03520	4.9
179.05565	7.1
198.41290	0.9
221.06711	6.7
237.30951	0.8
317.09021	1.1
335.09879	100.0
341.10855	4.6
503.16232	40.9
553.80414	0.9
556.40570	1.0
677.21497	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.0
71.01370	6.7
89.02480	11.7
101.02452	7.9
142.79674	3.3
145.34344	3.9
223.06061	3.8
277.61343	3.4
353.36435	4.0
423.66660	3.8
455.50031	4.1
677.22504	100.0
677.33557	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06897	0.8
54.16040	0.8
71.01402	1.1
101.29050	0.9
103.75424	0.9
108.02170	24.7
109.02944	14.3
122.05886	1.3
151.03986	1.4
152.01158	54.9
153.01949	31.2
165.01955	1.1
166.13571	1.0
210.95399	1.1
228.57645	1.0
315.07281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13671	0.2
52.42847	0.2
59.01383	0.5
59.92423	0.2
71.01372	2.1
73.02948	0.4
85.02937	0.4
93.03451	19.8
98.02467	0.3
99.00905	0.2
100.10268	0.3
101.02441	1.3
113.02459	0.5
131.79063	0.2
137.02446	100.0
175.04042	0.3
179.33467	0.2
299.07761	28.8
370.10504	0.2
677.20905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41248	0.5
57.27535	0.5
57.49457	0.5
66.83567	0.5
67.77058	0.5
71.01388	1.0
101.02435	0.9
108.02166	22.5
108.02870	0.9
109.02946	15.8
113.02441	1.0
117.87475	0.6
121.02975	0.6
121.61463	0.5
127.89542	0.6
130.37682	0.6
142.22536	0.7
151.03986	0.9
152.01154	54.4
153.01941	30.0
157.16599	0.7
157.78355	0.7
163.04036	1.2
165.01974	1.5
177.83409	0.6
184.97072	0.6
235.39165	0.6
315.07269	100.0
463.87064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41248	0.5
57.27535	0.5
57.49457	0.5
66.83567	0.5
67.77058	0.5
71.01388	1.0
101.02435	0.9
108.02166	22.5
108.02870	0.9
109.02946	15.8
113.02441	1.0
117.87475	0.6
121.02975	0.6
121.61463	0.5
127.89542	0.6
130.37682	0.6
142.22536	0.7
151.03986	0.9
152.01154	54.4
153.01941	30.0
157.16599	0.7
157.78355	0.7
163.04036	1.2
165.01974	1.5
177.83409	0.6
184.97072	0.6
235.39165	0.6
315.07269	100.0
463.87064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38915	0.3
53.07824	0.3
59.01392	1.4
71.01385	0.7
85.02939	3.4
87.00868	0.6
89.02431	0.4
93.03465	0.8
96.72293	0.4
111.04488	0.7
113.02444	1.8
127.03995	0.6
127.32743	0.4
128.99828	0.4
144.68097	0.4
152.91678	0.4
159.04565	0.6
159.09323	0.4
163.04012	0.6
173.04510	0.6
191.05635	100.0
242.45030	0.4
257.08093	0.5
263.88242	0.4
297.07700	0.5
415.16281	0.6
472.99405	0.4
677.21240	3.4
677.34076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98486	0.5
53.23678	0.6
59.01368	0.9
71.01382	0.9
77.26769	0.5
85.02953	1.1
89.02415	0.6
101.02508	0.8
103.56023	0.7
109.02940	0.7
113.02456	1.1
137.02461	3.0
151.00352	2.5
151.60985	0.7
152.04778	3.5
161.02411	2.7
161.04492	0.8
166.02702	40.9
167.03522	1.5
179.03485	0.7
179.31953	0.7
181.05069	90.7
190.06345	1.2
191.03506	0.7
205.05055	1.5
205.08763	2.4
207.06670	1.0
221.08232	0.8
356.95639	0.7
387.10776	23.5
387.14609	2.0
402.13254	12.1
417.15601	100.0
442.72998	0.7
445.54306	0.6
542.37207	0.7
611.04541	0.7
677.22156	0.8
677.32990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	78.7
92.23180	1.6
97.84974	1.2
101.02458	1.9
113.45182	1.0
152.20853	1.1
190.06358	5.0
194.36177	1.3
230.25058	1.2
283.09766	1.3
283.94406	1.3
292.07257	1.4
294.09131	4.4
297.07709	10.2
297.11081	2.2
308.10550	2.6
309.07736	28.7
309.11395	12.6
312.10092	36.1
323.09238	2.0
324.10031	48.8
327.12402	100.0
339.12408	87.1
357.13477	15.1
677.24561	6.5
677.34869	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47377	0.8
58.24401	0.8
59.01388	8.3
63.37970	1.0
71.01382	4.5
72.28268	0.8
75.00068	0.9
78.07336	1.0
85.02944	1.4
89.02418	1.4
91.23715	1.0
96.27451	0.9
101.02449	2.0
113.02462	1.2
136.01648	18.3
138.52075	1.2
150.03258	2.1
151.04007	100.0
161.04539	1.6
165.05594	2.4
165.43224	1.0
175.04002	6.7
186.26834	1.1
193.05145	1.3
214.14510	5.0
326.11578	1.3
342.11163	6.5
357.13480	73.7
439.16309	1.2
440.71091	1.2
481.17172	5.9
519.18909	10.5
677.23761	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04307	0.6
59.01386	20.1
61.98794	0.5
64.25583	0.5
68.00720	0.5
71.01383	3.1
84.54189	0.6
84.95029	0.6
85.02943	2.8
89.02438	1.4
95.01432	0.9
96.95962	0.8
101.02415	3.1
113.02412	2.5
119.03460	0.9
133.01462	0.7
135.04565	1.0
136.01653	19.2
137.02397	1.0
151.04007	85.5
161.04578	6.2
163.04044	1.0
164.04774	1.2
172.74904	0.6
175.07684	1.3
179.03511	0.9
190.02747	2.8
190.10030	2.8
191.03506	3.3
191.07243	0.8
191.10814	1.0
205.05054	4.8
223.06239	1.1
238.73320	0.7
342.11118	25.7
357.13480	100.0
519.18597	4.9
559.21912	1.5
599.20203	0.9
633.26068	1.0
677.23938	4.5
677.34302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67640	0.6
59.01380	13.6
60.23983	0.7
62.72471	0.6
71.01378	6.5
72.99271	1.1
83.01402	1.3
85.02946	3.2
87.00830	0.8
89.02445	4.4
97.02959	1.3
101.02454	5.6
111.00955	0.8
113.02413	4.1
115.03992	2.8
115.18292	0.8
119.03475	3.0
123.04529	1.4
125.09715	5.1
126.09949	0.8
178.02699	1.7
179.07021	1.1
187.09743	14.0
188.10167	1.1
190.06354	3.0
193.05058	3.4
208.03778	4.3
222.05336	1.7
223.06071	7.3
279.06641	1.7
282.09082	1.1
283.09735	0.9
294.08966	5.3
296.10623	1.0
297.07721	9.1
308.10593	4.0
309.07712	28.5
309.11362	16.5
312.10083	38.6
323.09128	4.3
324.06189	1.8
324.10037	48.3
327.12411	100.0
339.12411	71.4
339.16687	1.4
357.13528	12.4
399.20383	6.6
417.11911	8.7
497.23853	1.2
543.52277	0.9
579.26892	10.4
658.66913	1.0
677.30981	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53128	1.2
59.01384	96.1
71.01371	2.5
85.02947	1.8
87.37946	1.1
95.21537	1.2
101.02483	2.1
108.92344	1.2
113.02419	3.1
121.80161	1.2
147.04446	1.4
148.11362	1.2
161.04546	7.6
163.04021	1.3
164.04855	6.6
175.07637	1.3
177.05588	11.2
191.05560	4.8
191.07155	2.2
192.07916	13.6
209.09787	1.2
283.06250	2.8
284.06500	1.8
312.10034	22.6
327.12424	100.0
353.08710	2.0
357.13525	30.9
379.03189	1.5
389.25183	1.3
519.18866	6.1
527.65009	1.5
677.24854	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
71.01356	2.5
87.82916	1.8
89.02417	1.4
91.11681	1.4
93.41401	1.6
101.02455	2.5
102.08243	1.5
104.31119	1.9
111.08131	3.4
130.01105	1.5
174.03217	3.7
175.03893	1.9
217.05110	2.2
262.06467	3.1
265.04968	2.7
267.06879	2.4
279.06662	11.0
279.10266	10.7
282.08884	2.3
289.04993	2.8
292.07370	2.7
293.04565	3.0
294.05759	2.5
294.08948	25.4
296.82230	2.0
297.11206	2.3
303.06543	2.5
304.07315	3.2
305.04422	8.5
307.06085	2.1
308.06888	17.7
311.09302	1.7
320.06937	24.9
322.08429	3.2
323.05710	4.6
323.09198	39.8
329.13861	9.6
335.09290	9.6
338.08008	15.2
341.10373	7.3
353.10291	22.6
386.68600	1.9
541.17560	4.1
557.16663	2.6
569.16718	23.4
572.19104	3.3
584.18945	10.8
587.21338	35.2
599.21417	100.0
617.22595	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96856	0.3
58.58672	0.4
61.97631	0.3
66.72598	0.3
66.95167	0.4
71.01370	6.7
72.99306	1.7
73.43236	0.3
87.00870	0.4
89.02441	0.8
115.00358	33.8
115.80577	0.3
118.58698	0.3
133.01422	100.0
134.03844	0.3
151.04016	0.7
159.19800	0.4
165.05498	0.8
187.63728	0.4
192.25151	0.4
197.04475	0.6
229.02092	0.5
254.28337	0.4
256.07425	0.6
271.09741	1.4
401.13815	0.5
444.19052	0.4
504.69455	0.4
515.19257	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92712	1.2
59.01379	51.5
62.35941	1.4
69.10523	1.3
71.01382	17.0
73.02908	2.1
74.45152	1.3
85.02970	3.1
87.82236	1.4
89.02433	23.5
90.98412	1.4
93.03496	1.6
96.96009	2.4
101.02436	18.6
109.50378	1.5
113.02437	10.7
114.80099	1.5
115.04022	11.1
119.03477	6.1
121.02930	1.7
177.09311	1.8
184.27106	1.6
187.07703	2.1
216.07898	3.0
257.15430	5.9
267.13861	8.1
269.15460	3.4
279.13943	3.4
282.34134	1.9
322.12201	3.1
327.19730	8.4
330.05362	8.9
331.06241	2.5
337.18033	6.4
343.06189	2.1
345.20743	9.5
355.19241	6.9
363.86615	1.5
373.20151	5.9
394.08408	3.7
395.09360	2.3
407.09283	1.9
422.07993	2.5
435.08621	6.5
437.10220	3.6
463.08423	8.3
464.08609	2.2
500.12653	3.7
501.13199	2.7
507.25983	9.1
517.24542	2.7
535.25690	14.4
561.23706	14.5
571.14105	3.2
659.27124	18.0
677.18011	59.8
677.28345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22247	0.8
53.42254	0.7
59.01385	1.2
59.47887	0.8
59.53444	0.7
67.39659	0.7
71.01389	0.8
88.98808	5.2
89.36755	0.8
124.04128	0.7
127.74210	0.9
129.09250	1.0
160.01717	0.9
164.04776	1.2
175.04002	1.8
192.50995	1.0
195.06525	0.9
211.65572	0.9
227.11954	1.2
229.09837	1.6
229.14534	1.0
231.16478	0.9
243.11354	9.2
244.08533	1.8
244.12209	8.0
245.09373	1.7
255.11427	9.3
257.09369	36.5
259.10831	14.7
260.11694	3.9
271.10855	1.1
272.11682	37.5
273.12491	3.5
275.10385	33.5
290.12738	26.8
303.09982	1.1
316.10696	9.5
329.13873	1.6
331.12878	3.8
334.11789	13.9
341.13998	1.1
349.14099	100.0
398.41687	0.9
439.16095	1.0
508.56946	0.9
599.21246	1.7
601.26666	15.1
671.06439	0.9
677.28778	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17541	0.9
59.73587	1.0
63.12035	1.1
64.62952	1.1
78.95903	28.7
80.43661	0.9
82.97574	1.0
87.91331	1.2
96.96969	2.3
113.99321	1.1
152.99580	67.9
163.37601	1.2
171.00630	2.5
192.57634	1.2
203.54483	1.2
206.37785	1.4
223.00153	9.7
241.01202	21.6
259.02350	1.4
279.23328	71.1
312.17218	1.4
315.04904	7.4
458.77142	1.3
595.29034	100.0
677.27533	2.4
677.37793	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10200	0.7
78.95898	25.9
96.96958	5.9
137.63535	0.9
152.99586	51.1
179.55518	0.9
204.37407	0.8
223.00189	1.6
241.01196	39.5
279.23312	97.9
280.99203	1.0
315.04858	7.8
415.22482	1.1
482.46085	0.9
595.28998	100.0
617.25928	1.2
677.27338	1.5
677.37701	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	1.6
59.01390	21.4
64.25165	1.1
71.01387	18.0
73.02927	3.1
73.36864	1.0
74.22888	1.1
78.95891	1.6
81.03490	1.3
83.01417	1.8
84.75105	1.0
85.02945	6.6
87.00865	11.9
89.02446	22.8
97.02956	2.7
101.02432	23.2
113.02449	16.1
119.03488	5.9
125.02418	8.0
143.03525	3.0
153.89667	1.4
161.04587	5.8
179.05576	2.5
189.37561	1.3
235.08206	10.4
248.55171	1.2
250.60883	1.4
253.09357	2.5
279.23331	100.0
287.07739	5.1
305.08899	2.9
335.75351	1.2
397.13541	68.9
415.14636	34.4
631.66357	1.3
677.37299	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00416	0.5
56.21188	0.6
59.01384	30.3
59.01685	1.0
69.03465	0.6
71.01380	18.5
73.02927	1.0
83.01385	2.9
85.02951	4.9
87.00903	5.1
88.90311	0.8
89.02441	27.2
89.70253	0.6
91.04000	0.8
92.22462	1.2
95.01347	1.3
97.02950	3.7
99.00875	0.7
101.02442	21.9
113.02443	9.1
119.03506	6.8
124.01726	0.8
125.02429	6.9
131.03455	0.9
138.78981	0.7
143.03426	1.4
151.78242	0.7
159.97061	0.6
161.04556	3.0
179.05559	1.6
179.50151	0.7
221.06694	2.7
230.04861	0.7
235.08305	6.7
253.09363	1.0
279.23318	100.0
287.07672	0.9
305.08713	1.4
397.13547	85.3
415.14581	21.3
415.19452	0.8
587.35938	0.8
677.37592	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53281	0.7
57.03445	0.8
59.01103	1.2
59.01382	31.2
60.58622	0.6
62.32658	0.6
66.54897	0.7
71.01382	18.3
73.02950	3.8
73.33714	0.7
81.03445	0.8
83.01394	1.8
85.02947	4.0
87.00859	4.1
89.02441	28.1
95.01360	0.9
97.02942	4.2
97.42855	0.7
99.00867	1.1
101.02448	20.4
101.80168	0.8
113.02444	9.9
119.03502	5.8
125.02435	5.8
131.90570	0.8
143.03476	1.8
155.97023	0.7
161.04576	1.5
164.36926	0.9
179.05663	3.5
197.78357	0.8
202.20364	0.8
215.95314	0.8
229.00433	0.9
232.34407	1.0
235.08298	8.7
253.09204	0.9
270.01859	0.8
279.23312	100.0
287.07687	1.5
305.08765	3.5
397.13556	97.1
415.14627	26.8
595.17413	0.8
677.37714	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27505	0.7
59.01373	1.8
70.57058	0.8
70.69000	0.7
71.01351	0.9
85.02900	1.2
96.96001	1.0
97.06567	1.1
104.87899	0.9
113.67648	0.8
118.18659	0.9
125.62146	0.9
137.09673	1.0
165.12891	2.1
171.10240	5.8
173.30972	1.0
183.13902	1.7
193.08505	8.6
193.12183	1.0
194.41557	1.1
205.12056	3.5
207.10036	15.3
211.13419	19.5
219.10043	4.0
221.11623	12.1
229.14426	12.8
231.10034	7.8
233.11591	100.0
239.12923	1.9
243.10014	1.4
247.09421	1.4
248.10362	1.1
249.11136	16.6
251.12570	10.7
261.11108	17.8
291.19604	2.1
313.17853	3.9
327.21808	54.5
331.18973	1.8
349.19989	59.3
677.42426	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18892	14.5
56.38694	18.4
61.98839	20.5
102.49673	20.0
108.52141	19.6
116.62278	21.6
128.38757	18.5
140.62776	16.7
213.76584	19.7
344.57574	20.6
364.70459	23.5
438.51508	24.5
677.47192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87561	0.4
53.65820	0.4
59.01346	0.4
60.56969	0.4
74.22421	0.4
75.41074	0.4
77.08895	0.4
80.36906	0.5
95.05011	0.7
96.96008	18.5
107.01143	0.5
112.06991	0.8
112.07677	12.6
113.06053	4.4
114.64373	0.5
129.10333	7.5
130.08730	19.7
153.10326	0.5
156.84186	0.5
175.39114	0.5
182.64243	0.5
203.14629	0.5
207.15034	6.9
208.13391	0.8
224.17688	7.5
225.16109	29.6
225.18307	1.1
242.18675	0.7
320.23508	4.6
337.26129	7.9
338.24481	7.8
433.31900	4.2
450.34561	3.8
451.33020	3.5
491.50278	0.6
546.40302	1.8
563.43005	3.6
645.43146	0.6
659.48749	6.9
677.49805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37274	0.6
59.01381	1.1
61.98832	100.0
72.57427	0.6
73.41462	0.6
81.22062	0.6
92.22454	0.6
153.66563	1.0
178.65570	0.7
255.23262	7.0
256.23688	7.2
257.24188	0.7
293.18356	0.7
314.74731	0.7
361.15295	0.8
361.73761	0.8
573.83124	0.7
634.55127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45461	0.6
55.27766	0.6
57.10419	0.7
59.01384	4.0
59.01680	0.7
67.01884	1.4
71.01389	1.8
72.99280	0.7
78.95882	1.1
85.02970	0.8
87.00863	4.9
93.03450	25.8
99.00902	0.8
101.02403	0.9
111.04510	4.9
113.02491	0.9
152.35815	0.8
173.04572	7.9
268.03775	4.3
269.04559	7.6
281.04590	4.0
282.05331	1.7
283.06219	8.9
284.06918	1.5
295.02502	12.6
310.04715	1.2
312.02930	8.5
313.03632	5.3
326.04401	13.6
327.05151	100.0
329.06647	1.6
340.05679	1.1
431.26224	1.1
441.08472	1.5
455.09705	1.5
479.43903	0.9
499.08725	5.9
500.09619	1.8
501.10596	1.8
679.16858	81.7
679.30023	7.0
690.53705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93958	0.3
59.01381	1.7
66.55042	0.3
75.86192	0.3
83.05025	0.3
85.67428	0.4
87.00871	100.0
97.02945	0.4
106.52669	0.4
111.08631	0.4
115.07293	0.4
149.66933	0.3
152.48154	0.4
159.26576	0.5
165.05577	0.4
175.04010	0.7
237.14992	2.0
255.15947	3.2
255.23318	0.6
268.03714	1.8
283.06137	14.2
307.69785	0.4
361.06024	0.4
423.22714	0.7
480.44952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34673	1.8
53.60228	1.9
55.84624	1.8
57.19862	2.0
58.63611	1.9
59.01380	3.6
71.01363	2.5
84.24995	2.3
85.02958	4.0
87.00904	2.8
87.29356	2.5
93.03445	13.4
99.92807	1.9
102.93805	2.4
109.39816	2.4
111.04504	4.7
113.02473	4.4
115.00369	5.5
119.04990	10.1
119.47975	1.9
127.68076	2.7
135.04512	11.6
137.02434	2.9
139.00314	2.5
155.03476	2.5
157.01440	8.5
161.02444	5.1
163.03987	48.4
173.04529	38.5
179.03514	15.7
191.05634	93.0
221.04396	2.4
227.07144	91.1
253.08655	4.9
255.10255	65.6
281.08228	22.9
337.09204	19.9
337.15228	4.3
341.08640	2.4
343.08234	9.4
353.08777	3.0
396.58435	2.4
445.11377	2.8
517.13983	5.4
599.83905	2.5
605.51428	2.6
619.16577	12.9
631.66492	2.7
679.18866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17730	1.3
57.03461	1.5
59.01377	2.9
69.03433	1.8
71.01388	3.5
71.58604	1.5
83.73997	1.4
87.00863	2.5
89.02453	3.1
93.03453	14.5
109.02937	2.8
111.04540	7.0
113.02465	2.3
115.00346	3.7
119.05032	23.1
133.28246	1.3
135.04529	20.6
137.02437	3.4
155.03482	9.5
161.02481	7.8
163.04004	37.8
173.04553	71.4
175.04018	2.5
179.01959	2.1
179.03500	47.6
191.05623	100.0
193.05038	1.8
199.02547	2.3
217.03575	2.0
226.06393	2.8
227.07159	84.8
239.07156	3.2
253.08705	3.2
255.10309	54.9
281.08377	15.3
311.43262	1.7
325.09320	6.9
337.09418	2.9
341.09192	2.3
343.08469	12.0
353.08786	28.5
457.17313	2.8
505.13644	7.8
517.13641	17.1
589.15668	2.7
619.16772	15.9
679.18823	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89654	0.2
59.01376	0.4
61.96833	0.2
89.62272	0.3
117.52281	0.3
142.15855	0.3
149.33197	0.3
219.83614	0.2
268.03784	22.3
283.06125	100.0
372.28973	0.3
520.74261	0.3
522.36285	0.3
540.83990	0.3
620.22833	0.4
633.18829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31842	0.4
59.01372	0.6
70.94024	0.4
71.67387	0.3
86.45055	0.4
87.00884	0.6
88.58480	0.4
89.98355	0.3
92.23177	0.8
100.48975	0.4
113.02468	0.6
116.92870	0.5
191.05661	0.5
234.25853	0.4
268.03775	20.7
283.06125	100.0
581.32330	0.4
633.18256	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
60.69018	0.4
61.98817	0.5
68.68629	0.5
72.13314	0.4
73.81063	0.4
73.85370	0.4
76.77163	0.4
96.49257	0.4
101.02402	0.4
110.80285	0.4
119.05020	0.9
161.02423	1.6
191.05626	1.1
268.03787	23.2
283.06137	100.0
327.21747	0.7
533.27203	0.4
633.18457	6.0
679.32111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71445	1.1
59.01109	1.3
59.01381	32.3
59.12510	1.1
61.98790	1.2
69.05980	1.3
69.34231	1.0
71.01373	14.6
71.59886	1.2
72.26331	1.2
72.99272	1.3
87.00845	1.5
89.02441	27.4
89.52805	1.2
101.02441	13.4
113.02419	8.3
117.94821	1.2
119.03473	8.0
122.03734	1.7
134.03740	15.3
135.04488	2.0
145.08740	4.1
149.02463	1.8
149.06070	5.3
150.03214	33.1
161.15326	1.1
163.04002	13.7
164.04753	5.5
165.05571	12.9
166.02675	5.3
172.73398	1.2
177.01964	2.6
177.05495	1.4
178.06328	2.3
181.05212	1.4
182.02881	1.4
183.06615	2.5
190.02687	6.1
193.05075	25.7
195.30911	1.2
205.05074	28.6
207.02985	11.9
208.03487	1.6
209.04539	1.8
211.75267	1.3
222.05289	3.0
223.06035	6.6
230.09523	1.8
274.08423	5.7
289.10904	16.9
293.10284	6.5
321.09711	2.6
439.12033	2.7
454.14960	2.6
469.17175	50.5
535.82330	1.5
591.21088	6.4
617.22552	9.9
631.31427	1.5
679.22363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45032	0.7
59.01381	32.1
67.16576	0.8
68.70698	0.8
69.30177	0.9
71.01373	15.9
72.99302	1.0
85.02937	3.7
87.00865	7.4
89.02442	29.9
101.02455	15.1
113.02435	13.1
119.03491	10.7
121.02875	1.4
145.04980	0.9
149.02454	3.8
150.03221	13.0
151.04051	1.2
164.04840	9.6
165.05545	5.8
175.03964	4.1
184.64465	0.8
185.02071	0.8
190.02724	18.1
205.05078	52.9
208.03764	2.1
209.04512	1.5
223.06152	8.3
238.80304	1.2
259.87061	1.1
265.06894	1.0
282.71054	0.9
371.11304	5.1
439.16260	3.8
439.78717	1.1
469.17276	9.7
531.18695	8.9
610.88617	1.1
617.22205	2.2
619.20282	1.1
661.34528	3.9
679.22430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.68630	1.0
71.01379	2.0
81.18396	1.0
85.55132	1.1
89.02438	1.6
92.18872	1.1
101.02438	4.0
111.52385	1.1
113.02459	5.7
119.03492	1.8
155.94781	1.1
161.04497	1.2
182.17384	1.2
234.77620	1.2
296.07059	1.2
311.09354	11.5
326.11627	38.7
326.15460	1.8
341.14023	17.5
355.08008	2.4
368.12488	1.5
370.10712	11.4
385.12964	12.5
415.14105	8.8
457.15109	86.3
499.16275	2.4
679.30273	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98562	0.4
59.01377	0.7
64.65675	0.4
67.01881	5.2
69.38132	0.4
70.56328	0.4
71.01366	0.6
96.96001	2.9
101.02450	0.7
111.00874	100.0
120.13931	0.5
144.46931	0.5
150.03229	2.0
165.05582	5.7
180.04292	0.6
194.05928	0.6
195.06651	2.4
209.08171	0.9
342.11435	0.6
353.24283	0.6
357.13278	2.1
405.15701	5.2
407.95319	0.6
679.22321	2.2
679.33508	0.7
679.50574	2.3
690.51996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
59.01373	0.3
61.58581	0.1
68.82175	0.1
69.03461	0.4
71.01408	0.1
73.02967	0.2
77.94113	0.1
85.02954	1.9
101.02457	0.2
103.74702	0.2
113.02441	100.0
114.02769	1.0
115.02818	0.2
118.08051	0.2
118.23931	0.2
142.20296	0.2
150.03212	0.4
165.05551	1.6
195.06677	0.4
198.20880	0.2
201.33299	0.2
205.05205	0.2
223.06148	0.6
225.07715	0.8
251.15918	0.2
265.07275	0.2
276.02936	0.2
373.13004	0.9
407.91360	0.2
421.14963	1.3
463.16376	0.3
487.16351	0.2
505.17368	0.4
565.19293	3.2
609.90759	0.2
679.24097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33881	0.8
54.60205	1.1
55.05193	0.8
59.01147	0.9
59.01384	16.0
71.01385	12.3
73.02925	1.4
80.45184	1.1
83.01347	1.0
85.02943	1.7
86.43218	0.9
89.02444	14.7
92.22459	1.2
96.95992	1.0
101.02453	10.3
102.14739	1.1
113.02435	5.8
119.03485	6.3
149.02420	4.6
150.03223	25.7
151.04001	4.4
163.04037	2.6
164.04764	14.5
165.05591	14.2
166.02696	1.8
177.05499	1.2
178.06329	1.8
179.05649	1.4
183.06448	1.0
190.02760	28.1
205.05080	100.0
207.02948	1.9
209.04610	2.1
222.05264	1.8
223.06126	15.2
245.11839	1.3
252.87616	1.3
320.04004	1.5
327.37753	1.1
333.53940	1.1
371.11505	11.4
469.11005	2.2
469.17252	45.8
475.34695	1.2
529.29877	1.4
617.22632	8.3
661.34033	1.7
679.22449	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94292	0.3
55.45187	0.2
56.76412	0.2
58.66975	0.3
71.01379	2.1
73.02944	0.3
85.02952	1.2
85.59844	0.3
93.03448	19.7
99.04529	3.3
101.02428	1.4
113.02449	0.7
128.03569	0.4
137.02441	100.0
143.03510	1.6
161.04597	0.6
167.05884	0.3
191.05663	2.8
248.01753	0.3
299.07745	31.5
341.82605	0.3
349.35904	0.4
602.62775	0.3
617.05634	0.4
627.82916	0.4
679.19360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68791	1.8
56.92464	1.7
57.55086	1.5
59.01383	2.1
63.92931	1.6
77.56293	1.9
92.22768	2.3
95.04984	2.2
95.06561	2.5
95.16372	1.8
96.00887	4.0
98.02480	4.4
109.01673	13.0
109.49907	1.9
118.06647	3.5
139.05141	4.0
164.07224	8.4
166.06256	27.4
181.06187	12.5
184.07288	100.0
196.07297	9.4
200.07085	2.9
202.08707	3.1
214.08336	14.2
244.06276	2.3
500.88989	2.4
514.17731	9.1
549.04919	2.1
559.21564	4.4
679.25879	70.7
705.30005	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04198	0.9
60.25961	1.0
71.01362	1.4
72.49865	0.9
78.73689	1.1
85.02940	1.1
85.06587	8.2
89.02474	1.5
101.02449	1.6
101.14443	1.0
111.00874	2.3
113.02454	1.6
113.06078	49.1
115.03991	15.1
136.05287	1.1
139.03996	5.0
149.02354	1.4
150.03181	3.9
157.05101	5.4
160.05321	2.5
163.03960	1.4
164.04768	6.2
165.05571	2.5
175.07623	15.8
177.05530	2.0
178.06314	9.6
192.07974	6.1
193.08656	5.5
223.06010	4.2
275.84711	1.1
329.13965	100.0
359.15021	32.4
521.20264	37.4
560.14630	1.1
631.21155	1.2
679.25555	19.5
679.35504	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60857	0.8
57.98598	0.8
59.01382	82.9
71.01392	1.4
89.02405	1.3
101.02431	1.9
108.31053	1.2
113.11689	1.0
145.03035	1.3
164.04770	1.2
165.05544	4.0
179.07169	1.8
205.05054	1.7
208.03690	1.2
223.06071	2.4
241.20590	1.1
243.44937	1.2
258.10345	1.1
269.08081	1.3
276.04642	1.1
278.06512	1.3
299.09146	4.5
311.09338	13.2
311.40454	1.0
314.11642	44.4
323.48093	1.2
326.11591	35.3
329.13971	100.0
341.13965	49.3
341.17053	1.1
359.15063	25.0
386.75034	1.3
419.13333	4.2
433.25397	1.1
491.26648	1.3
521.20160	1.7
546.60657	1.2
630.74249	1.2
679.26129	9.5
701.47211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47630	0.6
54.25599	0.7
55.66718	0.7
57.77409	0.7
58.27401	0.8
59.01384	1.8
59.39199	0.6
60.44284	0.8
61.29995	0.7
63.65416	0.8
64.17234	0.9
71.01379	1.6
73.02928	0.9
76.30969	0.8
87.00864	3.4
90.94397	0.7
92.22424	1.2
101.02437	4.3
113.02435	3.5
120.16400	0.7
128.72090	0.9
149.02438	3.1
152.01173	1.1
161.02473	1.2
161.04460	0.9
164.04773	11.7
175.00381	1.3
179.07114	2.7
190.02727	35.0
191.05646	3.4
193.08940	1.6
200.22949	0.7
205.05066	100.0
207.03073	0.9
208.03792	4.9
208.59998	0.8
209.04610	2.7
212.27127	0.9
212.95842	0.9
223.06136	25.1
236.23515	0.8
283.06146	1.7
329.17719	0.8
344.36972	0.8
349.69073	0.7
350.14301	0.8
433.14969	4.7
454.14917	1.5
463.94464	0.9
469.17188	65.0
679.25879	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65794	1.7
59.01383	100.0
59.01683	3.5
67.96042	1.7
68.28973	2.1
71.01379	47.4
73.02946	3.2
81.26167	1.8
85.02957	9.8
89.02441	87.7
95.01395	2.1
97.02947	3.5
101.02443	39.4
113.02431	18.2
115.03983	22.8
119.03492	41.7
123.27059	1.8
126.19009	1.9
135.04503	2.0
141.46333	2.1
143.03520	3.8
149.02368	2.6
161.02463	17.1
161.04558	9.7
162.02756	9.9
165.05441	2.0
168.77501	2.5
179.05624	76.1
205.05080	2.3
257.13904	7.9
310.12128	2.6
311.09378	40.4
315.17554	2.0
325.10919	2.3
326.11646	65.6
341.13962	41.6
421.20877	3.3
477.56314	2.5
607.20490	2.5
679.22565	4.1
679.33649	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53432	0.4
54.96296	0.6
59.01384	1.1
63.72807	0.5
71.01378	0.9
74.49217	0.6
74.70531	0.6
85.02943	0.8
89.04916	0.6
90.47932	0.7
101.02448	0.9
113.02440	16.3
116.64867	0.6
118.49781	0.5
121.02895	0.7
129.38531	0.5
136.05312	2.3
137.02489	0.8
137.06021	0.7
143.70358	0.6
149.02473	0.7
150.03275	1.9
159.04564	0.9
160.05313	7.7
161.04588	1.0
161.06006	0.7
163.03963	2.5
164.04802	4.0
175.07637	25.5
177.05595	3.9
178.06339	14.8
190.06369	0.8
192.07935	11.6
193.08719	5.8
202.56638	0.6
234.77208	0.7
285.78741	0.6
297.12183	0.6
300.55545	0.6
314.11719	0.7
329.13977	100.0
335.12466	2.4
359.15045	32.7
491.18875	0.8
521.20313	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63729	0.7
59.01384	3.0
61.13746	0.8
79.23985	0.7
93.69405	0.7
94.02968	0.8
95.79091	0.8
98.85577	0.8
108.04547	0.9
122.06098	11.0
124.04018	1.1
136.04041	6.4
136.07663	12.6
138.05588	4.3
150.05594	13.6
152.07138	1.5
161.31291	0.8
163.08725	1.1
186.09323	1.6
187.11247	1.0
188.10841	1.0
201.06619	1.4
202.12428	1.6
212.10884	1.7
228.10239	5.7
229.09802	19.8
230.11971	21.8
231.11412	0.9
244.08540	1.0
245.09320	10.1
255.11336	7.0
257.09378	15.3
258.10080	3.3
259.10855	0.9
273.09598	1.6
273.12482	38.7
274.10641	1.0
275.10516	1.8
299.10355	1.5
317.11423	17.8
335.12527	100.0
385.76630	0.8
619.24237	3.7
679.26379	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05697	0.7
51.47831	0.7
52.52768	0.8
57.32876	0.7
59.01381	1.9
94.02970	1.6
96.96000	3.5
96.96924	1.2
115.84237	0.8
122.06106	10.1
124.04073	1.3
134.12419	0.8
136.04034	7.4
136.07661	13.6
138.05597	3.9
150.05598	13.3
152.07140	1.4
157.08698	1.9
159.10342	1.0
175.03975	1.1
186.09212	3.2
201.06612	1.6
202.12442	1.2
203.05923	1.3
228.10365	7.1
229.09805	24.8
230.11998	16.9
231.11345	1.0
245.09277	10.1
255.11404	7.0
257.09399	13.4
258.10172	1.7
273.12485	37.7
275.10464	1.9
299.10529	1.1
317.11353	10.9
335.12534	100.0
483.21658	1.0
563.17761	3.2
581.18964	1.2
619.23413	1.0
647.23340	1.2
679.26385	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.5
59.40705	0.5
59.58601	0.5
68.19690	0.5
70.12653	0.6
77.51292	0.6
94.02966	1.5
105.01931	1.4
108.04507	1.0
122.06106	10.3
124.04051	1.2
134.06114	0.9
136.04022	5.6
136.07684	11.0
138.05600	3.8
150.05606	14.4
152.07211	2.5
161.02463	1.0
178.00961	0.6
186.09232	4.9
186.10641	0.7
191.05676	6.0
199.73801	0.7
201.06694	2.9
202.08833	2.2
202.12395	3.3
203.05907	1.2
212.10841	1.5
213.06442	0.6
228.10257	5.5
229.09822	19.2
230.11972	17.5
244.08543	0.9
245.09300	11.0
245.12857	2.1
246.11317	0.9
255.11496	5.5
255.13727	0.8
257.09348	14.1
258.09982	3.5
259.10980	1.1
273.12479	36.9
274.10767	1.2
275.10495	1.5
299.10388	0.8
305.56985	0.7
317.11444	16.4
335.12534	100.0
343.13022	0.9
393.82333	0.6
422.17532	0.6
517.13721	0.8
619.24060	2.7
647.23743	1.3
679.26428	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54039	0.4
72.99303	44.8
73.19971	0.4
90.93915	0.5
94.88957	0.4
98.28075	0.5
123.04513	18.6
135.04518	21.9
151.03996	1.0
159.31221	0.5
179.03505	39.9
197.04568	100.0
218.00317	0.5
247.91917	0.5
479.82999	0.6
630.65088	0.7
679.28137	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.5
59.01379	31.6
61.88160	1.1
71.01375	12.3
72.99297	33.1
84.42646	0.9
85.02937	2.3
89.02428	17.2
97.02903	2.0
101.02444	12.7
113.02420	5.8
115.04022	8.2
119.03462	6.3
139.47279	1.1
143.16113	1.0
146.30464	1.2
159.71999	1.2
176.30405	1.1
186.06879	2.2
189.09172	1.1
201.09070	1.6
223.77364	1.0
244.08017	1.1
266.13278	1.6
269.15491	6.7
279.13779	2.1
281.15414	7.8
327.19653	2.3
339.19598	5.6
345.20694	1.4
355.18948	1.6
357.20685	2.3
360.33826	1.1
457.15024	1.5
499.15714	1.5
507.26102	2.1
517.24652	2.3
519.26105	2.6
535.25427	5.7
617.96680	1.2
679.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	1.9
59.01382	29.0
59.44150	1.6
63.69923	1.6
71.01369	13.9
72.99302	33.5
88.98804	1.9
89.02444	26.4
89.15176	1.8
91.28598	2.1
101.02431	12.5
113.02439	11.0
115.03995	9.9
119.03479	4.0
123.12653	1.9
186.06731	2.6
212.08366	2.0
268.97717	1.9
269.15262	2.7
279.13910	4.5
281.15530	7.8
321.83160	2.0
327.19476	2.5
339.19614	4.5
357.20715	2.8
370.02509	1.9
473.27908	2.6
519.26190	2.6
535.25519	2.6
537.27081	2.4
679.29761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83228	0.4
58.00594	0.4
59.01377	5.4
61.45641	0.4
71.01372	2.2
71.05016	2.0
75.94540	0.4
80.54671	0.4
82.04737	0.4
89.02438	3.8
101.02432	1.0
113.02423	1.6
119.03476	0.8
188.03799	0.4
349.34265	0.5
377.28516	0.7
393.31461	1.1
411.32907	1.1
419.29666	3.0
437.30649	21.1
455.31723	15.0
473.32788	1.8
499.30817	9.0
517.31763	31.9
559.32782	1.0
679.37140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3709
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
59.01380	3.8
65.41114	0.4
69.05724	0.5
71.01381	2.0
78.19751	0.5
89.02422	2.9
95.62721	0.5
101.02427	1.1
113.02446	0.6
119.03493	1.0
121.80668	0.5
142.89095	0.5
160.10493	0.5
163.54231	0.4
180.46588	0.5
397.31149	0.6
407.29913	0.9
409.31104	1.0
437.30655	15.6
454.30630	0.9
455.25220	1.0
455.31644	22.4
471.31097	1.1
473.32693	0.6
499.30563	3.8
517.31769	25.8
559.32892	3.0
659.30743	0.6
679.37134	100.0
697.38141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.8
71.01375	15.8
72.99333	1.2
73.02943	5.1
77.40823	1.0
78.95927	1.6
83.01403	2.1
85.02944	5.3
87.00883	14.7
89.02439	20.6
97.02982	5.1
101.02431	24.9
113.02459	15.6
119.03510	6.3
119.12787	1.2
125.02428	11.8
125.43660	1.1
126.72891	1.1
127.25438	1.3
131.03490	1.2
131.35880	1.3
143.03471	2.4
161.04552	6.4
173.52248	1.2
179.05609	1.8
235.08224	8.4
253.09235	2.5
281.24881	100.0
287.07813	1.5
295.26465	1.8
305.08920	2.6
397.13599	71.9
415.14658	33.9
679.39362	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23576	0.6
59.01381	30.9
59.01685	1.0
71.01373	19.9
73.02946	4.5
74.13612	0.6
83.01391	1.6
85.02920	5.0
87.00865	3.6
89.02436	24.0
95.01383	1.3
97.02931	1.6
99.00854	0.9
101.02433	19.4
113.02428	11.2
117.33570	0.6
119.03496	6.0
125.02401	5.9
143.03456	1.7
149.42047	0.8
161.04552	3.5
179.05656	1.5
221.06656	1.4
235.08258	7.0
237.89421	0.7
253.09329	1.3
263.97528	0.8
281.24872	100.0
287.07809	1.2
305.08823	0.7
323.09875	0.8
397.13541	89.6
415.14609	25.3
494.75259	1.0
516.67743	0.8
674.60541	1.0
679.39185	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03436	0.8
59.01381	8.9
61.11701	0.4
62.83689	0.4
63.14902	0.5
64.38889	0.5
68.93562	0.5
71.01376	15.3
73.02939	8.9
77.09084	0.5
83.01398	2.8
83.05031	2.3
85.02940	8.2
87.00854	6.2
89.02441	8.2
99.00877	5.4
100.34712	0.6
101.02443	35.3
113.02441	13.9
119.03469	0.8
125.02405	0.6
135.68175	0.7
143.03462	1.1
159.03004	3.2
161.04573	11.8
165.05551	0.6
168.44955	0.6
171.10287	6.4
175.03986	0.9
182.50966	0.5
183.10297	7.4
199.13350	0.7
211.13370	1.3
225.14981	0.9
237.01479	0.6
237.15005	5.8
255.12390	1.2
255.12865	1.3
255.16039	25.8
283.06293	0.8
291.18170	20.2
291.34875	0.6
368.77359	0.6
423.22418	100.0
433.85345	0.5
436.54990	0.6
459.95428	0.6
486.72766	0.6
679.30603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.6
57.03444	0.9
57.82477	0.5
59.01384	32.3
71.01380	17.8
73.02954	3.7
78.95914	0.8
83.01402	3.6
85.02950	5.4
87.00880	3.6
89.02444	27.8
95.01363	1.1
96.73118	0.5
97.02954	4.1
99.00903	0.8
101.02444	22.8
113.02442	9.9
119.03478	6.3
125.02451	6.1
133.05028	1.0
142.17764	0.6
143.03511	2.9
152.99660	0.6
161.04549	3.9
179.05682	2.8
185.04527	0.6
204.09706	0.6
221.06741	1.0
235.08206	6.5
253.09341	1.0
281.24890	100.0
287.07745	1.0
305.08862	3.2
379.12622	0.7
397.13568	95.1
415.14630	30.2
441.48608	0.6
488.91327	0.7
679.39215	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
59.01384	33.3
63.14363	0.5
68.15430	0.6
71.01379	18.4
71.70847	0.6
73.02945	3.9
73.88882	0.6
77.77945	0.6
81.03503	0.7
83.01387	3.2
85.02959	3.2
87.00881	3.7
87.96939	0.6
89.01883	0.9
89.02438	27.3
89.02960	1.2
91.65354	0.6
95.01392	0.8
95.41162	0.6
97.02952	3.4
99.00911	1.2
99.89582	0.6
101.02444	20.4
108.09840	0.6
113.02448	10.6
119.03503	6.4
125.02432	6.3
131.03502	0.7
139.04030	0.6
143.03508	2.8
159.14528	0.6
161.04575	4.1
179.05635	1.3
235.08261	7.4
253.09351	1.1
281.24893	100.0
287.07712	1.1
305.08594	1.4
382.69183	0.7
397.13544	83.9
415.14600	27.8
486.06454	0.8
525.08960	0.6
679.39111	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28569	2.6
54.60800	2.2
55.63808	3.3
67.42703	2.7
69.79238	2.8
78.95913	4.7
89.85195	3.1
139.11296	5.0
142.87576	3.5
171.10262	42.4
183.10207	4.8
185.11761	6.6
201.11313	6.9
293.21207	15.5
311.22339	100.0
354.82471	3.7
592.99469	3.3
679.36670	3.3
685.52228	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66999	3.9
63.21665	3.9
63.60540	4.1
78.87498	4.3
78.95898	6.8
79.16177	4.0
139.11290	7.0
171.10265	28.9
185.11737	5.9
208.40733	5.5
218.53954	6.1
232.46651	5.9
236.43855	4.7
244.75662	4.8
293.21167	10.7
311.22296	100.0
423.87592	4.9
453.92654	5.0
562.28876	5.4
679.35815	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10016	0.3
56.00377	0.4
61.98833	100.0
71.01364	0.4
80.52140	0.3
81.10201	0.3
87.00866	0.6
95.86701	0.3
101.02480	0.4
102.05605	0.5
103.32396	0.3
110.57285	0.3
113.02444	39.0
119.05019	0.6
121.54308	0.4
127.80503	0.4
145.02994	0.6
147.15765	0.4
163.04053	6.7
191.05542	0.5
205.05040	0.8
256.15594	1.5
303.08820	1.4
405.11954	7.4
503.15671	21.0
519.15204	0.6
617.18591	2.8
680.18903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.77682	0.9
75.67799	0.8
94.91857	0.8
99.99980	1.0
104.36915	1.0
120.50468	0.8
126.69135	0.8
151.99879	1.0
172.96002	1.0
178.38504	1.0
186.42734	0.9
399.59583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49999	1.0
55.95490	1.0
61.29529	1.2
61.98808	1.4
71.01370	1.8
112.71303	1.3
119.83505	1.3
134.03714	8.7
135.04558	11.2
148.05305	19.5
149.02368	3.1
149.06047	6.7
164.04776	9.5
175.00388	1.4
176.03441	2.1
177.04248	2.9
178.05089	29.5
179.07104	2.0
190.02731	41.7
190.05144	3.1
205.05055	76.4
223.06078	14.5
297.10004	16.6
298.10825	2.5
312.12439	48.3
367.10361	21.2
368.23593	1.6
387.60355	1.3
474.17743	2.2
516.93494	1.6
530.16882	3.1
680.23419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.2
78.95907	31.3
79.62809	0.5
85.32270	0.6
96.96948	2.5
152.99593	100.0
171.00636	2.9
203.60260	0.6
277.21765	2.4
293.28949	0.7
377.63855	0.6
403.92532	0.6
431.22076	23.3
518.25128	2.8
680.30560	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03220	0.4
61.98831	100.0
84.87407	0.3
91.74592	0.4
140.77122	0.4
161.02414	0.7
223.02650	0.4
322.31244	0.5
470.11249	0.4
617.38501	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07535	0.5
59.01377	1.5
60.06153	0.6
60.99310	11.8
71.01383	1.2
73.02920	0.9
75.00872	0.7
75.36006	0.7
82.21787	0.7
87.00864	1.6
88.98800	100.0
89.02444	12.2
110.26167	0.7
113.02431	0.8
116.92857	3.6
160.29501	0.7
191.05644	3.9
207.83864	0.8
263.12842	1.1
283.06198	8.7
356.42023	0.8
681.29333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48121	0.2
51.51128	0.3
62.47386	0.2
66.24516	0.3
72.96992	0.2
79.95734	1.3
84.10104	0.3
96.96000	100.0
126.09966	0.3
144.55716	0.3
193.05136	0.3
235.21170	0.3
358.28461	0.3
509.16458	0.3
617.51520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07776	0.5
59.01376	0.8
62.41032	0.5
62.81857	0.5
71.01369	1.0
92.78219	0.6
107.26232	0.6
110.92980	0.7
119.05011	13.9
134.03728	18.6
136.06703	0.5
137.02415	1.2
143.19089	0.6
149.06071	17.6
163.04001	29.6
163.05327	1.3
178.02696	28.9
193.05052	100.0
203.14996	0.7
205.04996	1.5
223.06181	1.0
265.07071	0.8
287.11893	0.7
325.09351	6.3
347.57806	0.9
355.10367	27.9
681.22528	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66319	0.7
52.96677	0.7
59.01376	10.4
60.99303	11.6
60.99535	0.8
61.98825	1.6
69.64267	0.8
71.01381	4.8
71.07995	0.8
72.99296	1.5
73.02934	1.2
75.59750	1.0
75.97209	1.1
82.51830	0.9
85.02932	1.2
87.00858	2.1
88.98796	100.0
89.02436	17.1
94.98091	4.0
99.00868	1.7
99.92561	1.6
101.02434	5.6
113.02422	1.8
115.03986	1.1
116.92851	61.4
117.01920	5.3
119.07494	1.0
137.02492	1.1
171.46832	1.1
179.03586	1.2
197.04485	1.3
205.05022	4.0
207.06775	3.0
223.05991	2.2
225.07724	2.1
645.27570	1.2
681.31311	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07776	0.5
59.01376	0.8
62.41032	0.5
62.81857	0.5
71.01369	1.0
92.78219	0.6
107.26232	0.6
110.92980	0.7
119.05011	13.9
134.03728	18.6
136.06703	0.5
137.02415	1.2
143.19089	0.6
149.06071	17.6
163.04001	29.6
163.05327	1.3
178.02696	28.9
193.05052	100.0
203.14996	0.7
205.04996	1.5
223.06181	1.0
265.07071	0.8
287.11893	0.7
325.09351	6.3
347.57806	0.9
355.10367	27.9
681.22528	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07776	0.5
59.01376	0.8
62.41032	0.5
62.81857	0.5
71.01369	1.0
92.78219	0.6
107.26232	0.6
110.92980	0.7
119.05011	13.9
134.03728	18.6
136.06703	0.5
137.02415	1.2
143.19089	0.6
149.06071	17.6
163.04001	29.6
163.05327	1.3
178.02696	28.9
193.05052	100.0
203.14996	0.7
205.04996	1.5
223.06181	1.0
265.07071	0.8
287.11893	0.7
325.09351	6.3
347.57806	0.9
355.10367	27.9
681.22528	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
60.99305	15.8
61.98843	0.8
64.19861	0.7
69.00166	0.8
71.01372	1.8
72.99330	0.8
78.09006	0.9
87.00856	1.5
88.98799	100.0
89.02440	21.1
92.23084	1.5
101.02432	1.2
116.92844	14.2
117.01971	1.1
129.87941	0.8
168.11363	0.8
177.51550	0.8
188.41220	1.0
191.05641	1.2
200.71782	0.9
207.06650	1.2
223.31082	0.8
263.41116	0.8
271.22534	0.9
293.36905	0.9
321.00824	0.9
417.21008	1.1
644.85382	1.0
681.30432	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11269	0.4
55.49405	0.4
55.77874	0.5
56.95110	0.5
58.02982	8.1
59.01380	2.1
70.02986	7.0
71.01369	1.0
75.43698	0.5
87.00857	0.6
89.02451	1.0
91.05520	8.0
93.03490	0.6
99.00863	1.2
109.53983	0.6
111.00918	0.9
113.02447	14.7
131.46797	0.6
135.04532	0.6
135.58966	0.6
147.04520	13.8
151.04050	1.0
162.09276	0.8
164.03569	1.0
164.07178	61.1
165.05588	1.3
183.88904	0.7
191.05637	4.6
206.08246	100.0
222.00299	0.5
230.44225	0.5
351.19382	0.6
401.95633	0.6
474.12631	2.6
681.20685	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	60.9
63.65640	1.3
66.67132	1.4
70.00722	1.3
71.01387	31.5
74.77817	1.5
84.33296	1.4
85.02961	3.3
87.00884	2.0
89.02446	76.4
92.22962	5.3
101.02448	24.0
113.02440	18.1
119.03505	27.6
143.03529	6.0
151.03986	2.8
161.04573	11.8
179.05640	75.3
182.02191	3.2
184.02687	1.6
197.04526	10.0
198.04898	5.9
199.05049	2.2
202.48416	1.5
223.06172	1.8
255.78038	1.5
257.97052	1.5
281.08258	3.2
293.08267	3.2
294.08957	3.3
296.10730	6.0
306.94016	1.5
307.09744	2.7
308.10580	9.6
309.07739	77.3
309.11267	2.9
323.09320	11.2
324.10083	100.0
339.12402	73.3
357.13821	1.8
425.16605	1.9
435.14099	1.9
481.03601	1.8
519.19000	3.3
546.29144	1.7
681.22699	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76940	0.3
54.63988	0.3
57.40792	0.3
59.01382	0.6
60.11811	0.3
66.99909	0.3
72.99291	2.4
74.77958	0.3
75.00867	100.0
78.95852	0.3
80.94449	0.3
101.02418	0.4
106.24590	0.4
125.14027	0.3
141.38513	0.3
158.57527	0.3
193.31381	0.3
205.05046	0.4
225.91008	0.4
325.76547	0.4
354.95142	0.4
575.25659	0.5
681.30090	1.7
706.57245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70219	1.3
52.58824	1.2
52.62564	1.1
54.19291	1.2
59.01363	5.3
67.11887	1.1
71.01360	2.6
73.02940	1.3
74.43654	1.4
89.02430	5.0
92.23175	1.7
101.02396	2.0
113.02377	2.1
120.71581	1.4
130.22672	1.2
136.56873	1.5
149.02432	5.6
150.03215	33.2
151.03957	6.2
158.55489	1.3
161.06062	1.7
163.04004	2.2
164.04829	12.9
165.05568	77.9
175.00348	1.6
176.01132	6.7
179.07133	13.9
180.04236	5.7
181.05025	2.7
183.24055	1.6
190.02699	8.9
191.03523	27.3
195.06667	18.4
202.52989	1.5
205.05057	28.8
206.05803	13.4
208.03770	13.8
209.04662	2.8
221.08179	26.4
223.06133	39.4
250.04822	6.1
265.07181	34.7
316.96042	1.5
358.18109	1.3
383.19034	1.6
419.13583	19.9
461.14447	9.3
484.15933	8.1
485.16565	20.1
521.16327	11.2
523.22021	1.7
531.26672	1.5
624.91498	1.5
681.24030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
57.96204	0.4
59.01383	10.0
59.32247	0.4
61.49512	0.5
65.07441	0.4
65.63541	0.4
66.96480	0.4
69.03458	0.5
71.01361	0.8
73.02951	0.4
79.29162	0.4
83.00289	0.4
83.01386	1.1
83.05025	0.4
85.02948	1.9
89.02445	0.7
89.96245	0.5
97.02938	2.0
99.04520	2.3
101.02428	2.8
109.06591	2.1
111.04508	1.1
113.02443	100.0
119.08627	0.5
125.02448	2.2
137.06078	2.6
139.07663	6.0
143.03545	0.7
163.07668	0.7
165.05463	0.6
168.07939	0.7
177.12933	0.6
181.08781	2.0
187.11313	6.6
205.12352	19.1
217.12344	1.1
235.13397	3.1
245.06659	2.4
249.11346	0.6
261.11386	0.8
279.12375	9.6
305.08795	2.5
321.13605	2.6
361.16428	0.6
363.14618	2.7
381.74939	0.5
387.10895	0.6
417.15527	0.8
419.12030	3.8
423.17004	0.7
465.17813	0.6
504.83856	0.6
567.20959	25.0
681.24121	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05737	0.3
51.17865	0.3
52.16957	0.3
55.66278	0.3
67.00989	0.3
71.01374	2.2
85.02939	0.6
91.64266	0.4
92.22511	0.7
113.02477	0.5
122.03703	0.4
136.01646	14.7
149.06075	0.5
151.03995	100.0
160.05281	0.4
161.04552	1.9
175.07625	1.9
222.52621	0.4
235.72931	0.4
311.12897	0.7
342.11041	8.2
357.13452	68.6
484.61066	0.4
519.18732	18.5
548.25104	0.4
677.29651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2411
Annotation	(+)-Pinoresinol di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.09163	1.0
54.14711	1.0
58.47700	1.3
59.01383	87.0
68.65562	1.5
71.01381	49.8
80.63588	1.3
85.02948	6.2
87.00869	1.8
89.02441	100.0
96.96000	13.0
101.02441	33.3
113.02444	26.4
119.03494	34.2
131.03470	2.5
143.03479	6.1
149.04561	1.8
161.04576	8.0
165.05577	1.6
177.05582	1.9
179.05621	58.8
188.23360	1.5
189.05733	2.0
205.05023	2.2
281.79330	1.4
294.09113	8.4
309.11404	2.8
323.09341	3.1
324.09909	5.4
339.12512	11.4
385.51508	1.5
485.16568	2.5
519.18799	71.6
681.24475	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39864	0.9
59.01366	1.3
71.01375	4.4
81.83504	0.7
85.02946	1.2
89.02452	1.2
99.00912	0.9
99.04494	1.5
101.02435	3.7
118.52970	0.8
122.03719	1.8
128.87183	1.0
139.32628	1.0
147.04564	1.2
149.02446	12.1
150.03220	39.1
151.04050	1.0
160.46870	0.9
163.04022	1.0
164.04822	25.4
164.06178	1.2
165.05563	55.2
175.00357	1.0
176.29893	1.0
179.07137	4.4
180.04315	5.2
190.02734	39.2
195.06602	14.0
205.05072	100.0
208.03773	3.5
209.04657	1.2
223.06111	27.3
251.05692	1.4
296.13303	0.9
312.10107	1.5
371.11423	6.7
391.14096	1.9
406.16562	2.2
421.18741	11.2
485.16721	86.9
507.12494	1.1
633.22363	2.1
681.24121	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57993	0.7
59.01390	2.7
71.01362	4.2
81.03465	1.3
85.02913	1.3
89.02441	1.6
99.04504	1.1
101.02422	3.6
113.02422	2.9
122.03724	1.1
129.05409	0.9
136.01628	1.0
147.04552	1.2
149.02454	10.9
150.03218	35.3
152.01190	1.0
163.04092	1.3
164.04790	21.3
165.05569	55.7
175.00301	2.0
179.07135	4.7
180.04236	4.4
182.53770	0.8
190.02747	39.3
195.06651	10.0
196.03838	0.8
204.82968	0.8
205.05074	100.0
207.06641	0.9
208.03780	3.3
209.04666	1.2
211.06134	0.9
223.06155	26.2
235.06044	1.1
312.10156	1.6
313.63171	0.8
341.44284	0.8
371.11337	4.4
401.46771	1.0
406.16187	0.9
419.13287	1.6
421.18661	5.5
485.16733	85.2
607.24170	1.8
633.21826	3.9
681.24152	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78230	2.1
51.98912	1.8
59.01379	56.4
59.18331	1.7
71.01382	35.6
71.36863	2.4
73.02944	18.0
83.01389	3.1
85.02948	9.0
87.00913	2.5
89.02444	47.9
97.02954	10.6
99.00887	3.7
101.02441	55.6
102.92874	2.5
113.02436	25.4
115.04037	2.9
119.03503	16.6
131.03484	3.0
143.03516	3.2
145.02942	4.1
161.04565	32.9
173.04628	2.7
178.56499	2.3
179.05640	13.5
191.05588	5.2
221.06635	3.3
259.89929	2.2
263.07794	5.0
529.85413	2.7
681.23822	100.0
681.35126	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22886	0.7
72.99305	29.2
84.90874	0.7
88.76878	0.9
90.04915	0.8
90.60646	1.1
94.02501	0.8
123.04529	5.5
135.04500	6.5
179.01935	1.6
179.03493	31.8
192.56618	1.0
196.74629	0.9
197.04558	100.0
306.06366	3.4
321.08698	4.5
337.15649	1.2
359.09879	70.0
404.77405	0.9
405.48813	1.1
482.09073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13057	1.3
55.61303	1.5
59.01380	51.8
71.01376	70.3
73.02959	7.4
73.64540	1.5
82.21199	1.6
83.01386	2.6
85.02959	12.0
89.02438	50.3
89.02962	2.9
92.22526	2.2
95.01392	2.8
97.02940	11.0
99.00896	2.2
101.02443	41.1
113.02454	24.1
115.04005	31.6
119.03506	21.7
133.01427	3.1
143.03510	2.4
161.04599	10.1
179.05586	2.7
191.05646	7.2
259.08234	51.5
263.11356	100.0
277.09314	9.1
375.14438	2.2
523.20435	46.6
524.71332	1.9
687.50330	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74434	1.1
51.23712	0.8
57.03440	1.0
59.01109	1.9
59.01383	38.4
60.99288	1.6
66.56650	0.9
71.01373	7.9
71.63595	1.1
73.02946	1.8
79.82996	1.0
84.74654	0.9
85.02927	4.7
87.00887	1.6
88.98781	7.5
89.02441	20.3
96.96005	1.5
99.00871	16.7
101.02413	7.4
107.04996	1.7
113.02440	11.3
119.03474	6.0
119.04977	2.6
126.78637	1.1
131.03473	1.3
136.59789	1.1
137.05998	1.0
145.02930	1.2
155.29344	1.3
161.04639	1.6
161.09673	6.2
161.13293	2.3
163.11253	2.7
183.72052	1.1
185.04495	1.3
187.11218	5.9
189.09216	1.6
191.05598	7.8
193.04994	1.9
205.12350	2.3
207.10182	1.9
223.13388	15.1
228.05603	1.2
231.05055	5.9
409.64438	1.3
431.15698	5.0
434.77997	1.2
449.07788	1.2
449.27524	1.2
519.25165	1.6
519.31970	4.5
621.27802	5.1
631.88818	1.4
681.27588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61546	0.7
56.55089	0.9
57.03436	1.4
59.01382	37.0
61.04189	0.8
61.44491	0.7
61.64933	0.8
61.98830	0.9
71.01376	9.4
73.02942	0.8
83.01364	0.8
85.02934	1.7
85.66496	0.8
87.00871	3.5
89.02439	17.7
91.44311	1.0
99.00868	13.8
100.88762	0.8
101.02413	8.3
107.05000	1.1
113.02444	10.4
119.03481	4.6
119.05016	4.5
124.34017	0.9
131.03490	2.2
135.04497	0.8
135.11818	1.1
141.79713	0.8
145.02945	3.6
149.04532	4.8
161.04457	3.8
161.09697	6.7
161.13310	1.7
163.11246	2.2
175.04033	1.3
178.91592	1.1
179.05627	1.7
187.11241	5.6
189.09302	1.3
191.05647	8.2
207.10358	1.1
223.13425	8.4
224.26639	0.9
249.11247	1.1
250.25505	0.8
267.12314	1.6
281.25012	0.8
299.11087	1.1
380.70505	1.0
431.15567	4.6
448.34528	1.1
453.46606	1.1
554.52161	1.0
625.84485	1.0
681.27734	100.0
696.39240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22950	0.3
58.66433	0.3
59.01364	0.7
70.91498	0.3
71.01365	0.5
71.30880	0.3
85.02958	0.5
92.22556	0.5
113.02394	0.6
125.02416	2.3
128.93425	0.4
137.02446	6.3
138.03183	2.9
139.04019	4.0
151.04016	2.3
152.04800	5.2
153.05574	0.6
164.04803	0.7
165.05605	0.9
180.04205	0.5
181.05081	12.0
194.05917	1.6
195.06639	21.0
207.06644	1.7
209.08252	5.0
225.07712	0.4
237.07782	0.6
239.09149	0.5
253.10800	1.5
343.11670	0.6
361.12869	7.2
373.12888	0.7
375.14603	4.2
391.14047	24.3
405.15494	0.7
406.10846	0.7
406.16385	30.7
421.18735	100.0
425.16595	0.7
471.87363	0.5
583.23938	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61546	0.7
56.55089	0.9
57.03436	1.4
59.01382	37.0
61.04189	0.8
61.44491	0.7
61.64933	0.8
61.98830	0.9
71.01376	9.4
73.02942	0.8
83.01364	0.8
85.02934	1.7
85.66496	0.8
87.00871	3.5
89.02439	17.7
91.44311	1.0
99.00868	13.8
100.88762	0.8
101.02413	8.3
107.05000	1.1
113.02444	10.4
119.03481	4.6
119.05016	4.5
124.34017	0.9
131.03490	2.2
135.04497	0.8
135.11818	1.1
141.79713	0.8
145.02945	3.6
149.04532	4.8
161.04457	3.8
161.09697	6.7
161.13310	1.7
163.11246	2.2
175.04033	1.3
178.91592	1.1
179.05627	1.7
187.11241	5.6
189.09302	1.3
191.05647	8.2
207.10358	1.1
223.13425	8.4
224.26639	0.9
249.11247	1.1
250.25505	0.8
267.12314	1.6
281.25012	0.8
299.11087	1.1
380.70505	1.0
431.15567	4.6
448.34528	1.1
453.46606	1.1
554.52161	1.0
625.84485	1.0
681.27734	100.0
696.39240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93476	0.7
53.37815	0.7
57.03427	0.9
59.01383	55.7
62.84303	0.9
69.03516	0.9
71.01378	36.6
71.05003	1.0
73.02947	10.4
83.01393	3.9
83.14722	1.0
85.02965	9.5
87.00859	2.0
89.02440	44.9
89.82734	0.8
95.01392	1.8
99.00870	1.6
101.02440	29.6
112.59352	1.0
113.02440	29.3
118.71210	1.0
119.03500	13.0
143.03482	1.0
161.04517	3.9
175.03918	1.7
175.92776	1.0
179.05644	1.2
183.13872	1.7
191.05643	1.9
226.81081	1.0
258.65897	1.1
314.40854	1.1
338.04633	1.3
577.28827	38.3
595.29797	23.6
637.30896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06380	0.9
59.01386	33.5
64.98690	1.0
67.75378	1.1
71.01382	15.0
72.28593	1.3
73.02924	2.3
83.01369	1.4
85.02942	5.2
87.67233	1.1
89.02448	20.6
101.02445	21.6
112.96050	1.0
113.01736	1.1
113.02429	9.9
115.00249	1.4
115.03996	4.8
119.03487	7.3
163.07529	1.1
189.67227	1.4
194.87756	1.0
206.09444	11.8
231.13945	2.9
289.17987	4.2
301.18076	2.6
310.64639	1.1
319.19229	6.0
353.10345	1.4
359.22208	6.6
377.23383	24.8
423.00629	1.4
539.28894	13.7
546.03900	1.2
561.20178	1.7
583.27777	1.6
681.31354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78271	1.5
70.64310	1.4
71.36777	1.8
78.43124	1.8
91.13647	1.7
182.75987	2.0
267.06711	9.9
310.10889	48.7
325.13260	100.0
340.15585	93.5
340.18680	1.8
461.62650	1.9
579.69550	2.4
678.09094	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06034	0.5
58.64695	0.5
71.01357	0.7
85.71784	0.5
97.18523	0.6
115.00341	2.0
133.01459	5.9
137.05820	0.5
166.89508	0.5
184.12106	0.5
192.19405	0.6
194.09828	0.5
197.04607	1.0
205.04959	0.8
213.96902	0.6
224.04820	0.7
252.04326	0.9
267.06653	7.6
282.11404	0.8
301.22528	0.6
310.07172	1.1
310.10876	53.0
325.13229	100.0
340.15555	90.2
340.19928	0.9
519.17413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25952	1.0
78.95908	8.1
96.96005	25.2
132.26546	1.4
145.70796	1.2
152.99561	9.6
213.10643	1.4
243.96765	1.3
432.22070	2.4
487.11859	1.4
519.27942	100.0
523.97070	1.2
681.33240	54.6
698.11951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87055	0.4
78.95873	0.9
92.23036	0.7
96.96007	27.0
101.05856	0.5
145.04222	0.5
152.99544	2.3
283.61768	0.5
428.43820	0.5
462.67007	0.5
502.12460	0.5
519.27875	100.0
601.45367	0.6
681.33215	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03516	2.1
51.61267	1.8
52.90167	2.3
54.53152	1.9
59.01384	56.5
61.98838	3.2
62.36940	2.5
68.76692	2.4
71.03321	2.2
77.34700	2.4
82.43221	2.3
102.90158	2.7
129.11484	2.5
134.81140	2.6
135.12672	2.5
141.01779	2.6
160.44345	2.3
225.95494	3.1
253.16794	2.6
253.87836	2.8
270.20773	2.7
277.21756	100.0
393.31262	3.2
681.34021	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41140	0.5
53.83133	0.5
54.12404	0.4
55.01873	1.3
57.03440	0.9
59.01384	33.3
59.30643	0.5
61.98833	0.8
69.31393	0.7
69.92754	0.5
69.95453	0.4
71.01378	21.5
72.27045	0.5
72.99310	0.6
73.02942	7.2
75.13113	0.6
83.01376	4.8
85.02945	9.8
87.00888	1.1
88.98802	4.5
89.02437	9.8
95.01360	1.3
96.95990	0.7
97.02952	1.1
99.00890	2.8
101.01776	1.0
101.02443	28.0
108.20477	0.5
111.00855	0.7
113.02442	14.0
113.40584	0.6
119.03498	4.8
125.02449	2.6
129.01915	0.6
132.37091	0.6
135.04532	0.8
143.03508	0.7
159.02998	2.4
161.04555	6.7
191.05630	3.0
191.10776	0.9
212.66701	0.7
223.13297	0.7
233.17628	0.7
279.23447	0.7
459.29883	0.8
494.08322	0.6
519.31726	2.0
681.37262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42307	0.8
55.01884	1.1
57.03447	1.3
59.01386	34.4
61.98850	1.2
63.23521	0.9
71.01379	21.2
73.02959	6.7
81.03445	0.9
83.01395	3.7
85.02946	10.9
87.00867	1.2
88.98803	9.9
89.02431	12.5
96.96061	1.3
99.00900	1.8
101.02438	24.1
113.02449	19.2
115.51307	0.9
116.92857	1.8
119.03526	4.7
156.36516	1.0
161.04579	8.4
179.49167	1.0
191.05649	5.8
239.16670	1.5
278.64035	1.0
330.14648	1.1
441.29004	1.2
681.37396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16812	0.5
57.29863	0.5
73.04060	6.6
74.02477	4.8
85.04040	2.0
87.05624	2.3
95.02509	12.6
99.02003	0.9
108.87066	0.7
109.04050	1.0
111.02010	0.8
112.05145	2.5
113.03571	15.2
116.52515	0.5
126.06756	1.1
130.06215	13.5
131.04628	9.7
133.40086	0.6
135.08154	1.2
144.07787	19.3
166.06235	1.2
169.07289	5.2
170.05725	4.8
183.08881	1.0
187.08357	10.2
188.06793	3.8
191.19424	0.9
201.09929	18.3
227.07907	1.0
245.08940	6.5
249.22096	0.6
258.12027	6.7
302.11093	5.3
315.14279	0.8
320.26001	8.8
360.25275	0.8
377.28119	7.8
380.43826	0.6
391.29974	0.8
434.30600	1.8
491.32449	2.6
509.33496	2.5
517.37036	0.6
625.79974	0.7
681.38367	100.0
701.32880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.9
60.89684	0.4
66.79578	0.5
67.79279	0.4
70.35584	0.4
92.23064	0.6
97.02955	4.3
117.05529	0.4
127.65433	0.4
210.52975	0.5
277.21756	100.0
343.14017	0.7
375.25504	2.0
652.75934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	76.1
79.69613	2.1
84.72300	1.9
85.02969	2.0
89.02452	3.0
94.71588	2.4
101.02448	3.6
108.92333	2.0
143.15945	2.2
277.21744	100.0
279.80334	2.4
283.26453	3.0
311.55798	2.3
333.59991	2.2
355.31970	2.1
488.97650	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07379	0.5
57.12352	0.4
59.01381	44.0
61.98846	0.7
97.02943	1.2
130.35129	0.6
176.51694	0.5
209.04031	0.5
277.21738	100.0
375.25555	2.1
411.65024	0.5
566.32568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65396	2.0
59.01385	41.0
61.98829	12.0
63.91026	2.8
71.01374	15.1
78.95902	3.2
79.71915	2.4
83.01389	3.3
83.70406	2.5
85.02986	2.6
87.00896	3.8
89.02438	25.8
91.70364	2.1
97.02937	2.6
101.02461	22.6
113.02452	11.3
119.03474	3.9
125.02432	10.3
143.03529	2.8
152.99583	10.9
161.04640	3.1
179.05663	4.1
215.12956	5.9
235.08167	4.8
255.23296	3.6
270.50323	2.7
277.21704	10.7
283.23465	4.9
283.26447	100.0
305.08725	4.6
310.64078	2.7
397.13586	85.3
404.82324	2.9
415.14636	18.8
553.94092	2.7
645.42981	3.3
681.39807	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85774	0.8
53.87310	0.7
55.01870	1.1
59.01384	36.3
71.01377	22.9
73.02951	3.7
83.01408	4.0
85.02959	5.2
87.00867	2.0
89.02434	34.3
89.02969	2.0
97.02956	3.9
99.00854	1.6
101.02438	22.7
113.02440	18.6
119.03467	8.9
125.02421	8.0
133.04982	1.4
143.03479	2.3
161.04552	4.8
163.87186	1.2
179.05656	5.9
191.89915	1.2
219.67877	1.2
233.06450	1.1
235.08203	8.3
253.09398	1.4
255.23335	4.0
283.26443	100.0
305.08936	1.3
397.13571	86.5
415.14685	24.8
681.40338	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21986	1.0
56.71521	1.1
67.24302	1.1
73.90747	1.2
90.14589	1.3
98.27425	1.3
116.95731	1.6
164.47028	1.2
190.98721	1.2
191.05264	1.3
192.09232	1.4
227.08252	2.9
243.07756	1.7
246.92523	1.5
255.07750	2.4
267.07666	5.3
271.07269	29.3
272.08069	7.0
279.99292	1.3
281.05878	1.9
281.09274	2.3
283.07190	5.7
293.05667	6.0
294.06580	7.3
297.08777	2.2
299.06735	12.6
308.07956	5.2
309.08743	2.8
311.06821	12.7
331.09372	10.2
335.06693	2.1
343.09418	2.2
385.10501	3.0
403.12085	1.5
596.55768	1.6
681.41272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15434	3.6
57.84335	3.9
62.86773	3.6
67.02518	3.6
73.68620	3.8
106.47777	4.8
115.92043	6.0
116.92815	8.2
173.03346	4.2
175.10480	4.1
255.23242	5.5
281.09521	5.3
283.07245	22.0
295.07129	8.7
304.57715	5.1
309.08856	16.3
315.09808	23.5
337.08243	29.8
456.23599	5.0
521.22693	5.1
681.41608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06568	0.5
73.22884	0.5
80.60971	0.6
92.78828	0.6
99.92621	0.7
114.18394	0.6
114.76443	0.7
115.92067	0.9
116.92859	1.2
119.42412	0.6
163.70511	0.7
188.03537	1.0
226.03827	1.2
226.08786	1.1
239.08270	0.8
241.06172	1.1
254.06996	0.9
255.07849	3.9
255.23364	0.8
265.09955	1.5
266.08157	0.8
267.07706	1.3
269.09311	4.2
278.06952	1.3
281.06085	1.5
281.09329	10.9
282.02835	3.7
282.06488	2.9
283.07300	7.2
293.09290	7.0
293.28537	0.9
294.07443	4.1
295.07285	13.0
309.08841	27.8
310.09692	2.7
311.10489	4.3
315.09943	11.7
319.07425	0.9
327.09879	23.1
337.08344	34.3
351.10004	3.1
369.10965	24.0
445.89923	0.7
632.80731	0.7
649.38776	3.4
681.41309	100.0
714.62347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78228	0.9
58.42970	0.8
59.01367	1.2
62.49076	0.8
85.63282	0.9
91.88039	0.9
102.30865	1.0
119.33985	0.9
212.07292	1.3
224.62653	1.0
227.08353	6.6
238.05209	1.3
240.05324	1.9
243.07777	1.1
255.07729	8.6
267.07779	3.8
269.09192	1.0
271.07266	31.0
272.07983	6.1
279.07687	1.3
281.05801	3.3
281.09171	1.2
283.07361	6.7
283.10352	1.2
293.05722	3.6
294.06589	9.6
297.08762	1.9
299.06732	14.0
308.07898	4.4
309.08807	2.1
311.06738	14.5
313.08331	1.7
325.08289	4.0
331.09451	12.6
343.09256	4.8
374.43277	1.1
405.17303	1.1
573.45300	1.1
621.39075	1.3
631.37860	1.2
681.41260	100.0
703.32471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71641	1.2
58.20010	1.3
63.58264	1.1
66.44878	1.3
76.10620	1.4
89.51267	1.4
95.47076	1.3
154.09042	1.7
175.02747	2.8
220.74443	1.5
227.08084	2.0
243.07883	2.7
255.07686	1.8
267.07932	2.0
271.07260	52.7
281.09549	1.9
283.07285	13.2
299.06818	7.4
299.10223	2.0
300.63556	1.5
309.08649	3.3
311.06757	54.9
327.09756	2.4
343.09232	6.2
480.14615	1.7
621.39160	10.8
634.24066	1.8
649.38910	2.0
681.41278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.457
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67889	0.6
78.95856	0.6
80.97537	0.6
139.11305	4.8
165.12798	1.5
171.10271	9.5
183.13838	2.5
193.06909	1.2
193.08492	17.0
201.08990	1.0
205.12109	3.1
208.08919	0.8
211.13400	22.5
221.11623	8.2
223.40648	0.6
229.14459	16.5
231.10049	6.9
233.11601	100.0
249.11137	17.0
251.12573	14.0
257.81271	0.7
329.23389	60.0
331.19171	0.8
351.21588	38.1
466.83334	0.8
512.48157	0.7
681.45618	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48352	0.7
61.34695	0.7
74.87023	0.8
108.02280	0.8
132.06125	0.9
135.04573	1.5
158.23160	0.9
179.03571	1.4
179.05612	1.3
191.05696	1.0
203.38315	0.8
262.05017	0.8
264.06723	8.2
277.03894	1.4
292.06165	16.0
302.64734	0.8
320.05676	100.0
340.11691	1.2
418.09308	3.7
424.58649	0.9
594.96393	1.1
682.21387	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94269	2.2
53.19381	2.0
59.01385	20.7
71.01380	99.6
85.02951	92.5
87.00890	3.9
88.00407	3.3
88.98799	10.8
89.02446	9.6
101.02431	13.2
106.30880	2.2
113.02449	46.7
119.03470	4.7
129.87706	2.6
143.03549	3.1
155.03593	2.5
161.04570	28.9
173.04535	16.8
191.05650	3.5
233.06703	31.7
283.09778	3.3
296.10553	4.0
298.11987	3.1
311.09329	51.4
326.11661	100.0
326.15482	3.7
341.13995	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67141	0.9
62.62001	1.0
67.60320	0.7
78.95901	31.9
96.96950	2.2
99.41928	1.0
113.29158	0.9
134.34637	0.8
152.99590	100.0
171.00552	2.3
279.23367	1.7
288.95483	1.0
343.68115	1.4
406.43195	1.0
433.23663	22.1
454.63400	1.1
520.26923	3.7
547.50647	1.1
682.32196	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56509	0.5
58.64462	0.8
72.46348	0.7
78.95895	29.0
82.62744	0.9
84.42204	0.7
94.23466	0.7
96.96951	3.8
100.19457	0.8
152.99579	100.0
169.00188	0.7
171.00642	2.9
204.03983	0.8
224.28557	0.8
236.29445	0.8
271.28091	0.7
279.23230	3.1
347.33444	0.8
433.23627	19.8
485.72311	0.7
520.26227	1.4
682.32037	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	18.7
84.10646	0.3
86.02477	0.5
96.96964	2.6
116.14483	0.4
132.31317	0.3
150.98015	1.5
152.99586	100.0
171.00644	5.4
279.23221	1.5
310.54544	0.4
352.13141	0.5
433.23621	13.1
520.26862	2.1
533.15674	0.5
565.59576	0.5
682.32196	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73088	0.5
58.78547	0.4
60.70552	0.5
67.50283	0.5
78.95902	35.3
96.96964	1.1
99.17363	0.5
104.53560	0.6
124.35815	0.6
145.11115	0.5
150.97977	1.1
152.99585	100.0
171.00645	3.6
174.22537	0.6
218.09985	0.6
235.50697	0.6
279.23251	2.5
433.23654	19.0
440.34668	0.6
520.26740	3.7
682.32245	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95847	0.8
68.38151	0.8
74.19451	0.9
78.95900	31.6
83.12236	1.0
91.48824	0.9
96.96950	3.9
105.12282	0.8
152.99577	100.0
171.00644	2.0
240.93459	0.9
279.23166	1.6
433.23538	21.9
520.26782	1.8
682.32129	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33813	0.5
63.88906	0.5
69.58368	0.6
76.42577	0.5
78.95903	19.6
85.73444	0.6
96.96967	2.8
121.04429	0.5
152.99593	100.0
171.00652	4.6
246.91051	0.6
349.63400	0.6
433.23608	17.4
447.00116	0.5
520.26904	2.5
527.25006	0.6
539.21490	0.6
682.32178	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59853	0.5
61.98834	0.5
67.48551	0.5
78.95901	32.8
96.96946	2.5
114.31503	0.5
127.04484	0.5
150.98004	0.5
152.99585	100.0
171.00609	3.3
187.77205	0.5
279.23264	2.7
297.98563	0.6
433.23651	19.4
520.26917	2.5
560.57385	0.6
682.32123	28.7
712.70477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	1.5
61.98846	1.5
71.01377	2.1
71.22730	1.3
72.04559	2.0
73.02951	2.9
73.79299	1.0
84.04540	2.5
88.04035	12.9
89.02438	35.3
95.66094	1.4
114.05582	6.3
130.05107	1.9
132.06664	32.2
144.06680	18.4
183.13931	13.7
205.85233	1.3
253.21773	7.1
263.75101	1.3
265.21793	11.6
282.24707	1.5
295.22781	22.0
333.48950	1.4
386.29160	100.0
682.37213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73285	0.4
59.01356	0.6
61.19044	0.5
64.92242	0.5
72.81567	0.5
72.99292	5.8
78.95899	74.2
96.96951	53.0
101.02440	0.9
102.46861	0.5
111.01986	7.3
121.12238	0.6
121.38591	0.5
123.04553	0.7
135.04529	1.3
138.98029	5.6
150.98001	5.5
164.03484	0.9
178.92120	0.5
179.03470	6.0
181.05013	0.7
183.83081	0.5
191.05653	5.0
192.99101	3.5
197.04581	8.8
211.00122	10.5
232.33194	0.5
242.40903	0.6
280.02362	5.3
307.48248	0.5
323.02878	100.0
324.01596	0.6
398.10867	0.6
480.06995	0.7
683.20856	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04798	0.4
57.80461	0.4
57.96665	0.4
60.18146	0.4
72.99307	6.5
78.95904	74.5
84.47855	0.4
89.02439	0.8
96.96956	55.0
98.57950	0.5
101.02404	0.6
105.81721	0.5
111.02003	10.0
123.04467	0.8
135.04573	1.1
138.98036	7.0
150.98022	6.3
151.04095	1.0
164.03516	0.6
168.99136	0.5
179.03523	6.4
181.05057	2.1
192.99060	4.3
197.04567	14.0
209.64986	0.5
211.00162	11.8
273.61774	0.5
280.02298	5.4
323.02896	100.0
343.10248	2.3
359.10089	1.9
492.71997	0.5
538.87946	0.6
683.20673	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
72.99307	3.3
78.95903	68.6
87.00862	1.0
89.02460	1.3
96.96953	54.7
111.01992	10.7
113.02425	0.6
123.04439	0.7
126.96940	0.7
135.04535	0.9
138.98032	6.3
150.97998	7.4
152.03487	0.8
152.12692	0.6
164.30463	0.8
179.03488	3.3
192.99115	3.4
197.04561	3.6
209.19225	0.7
211.00127	9.1
212.71036	0.6
235.03061	0.7
280.02368	7.0
323.02896	100.0
323.13199	5.0
521.25568	0.7
683.20618	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11105	0.5
63.56438	0.5
72.99313	1.3
78.95903	66.1
82.74051	0.5
84.94286	0.6
96.96953	47.3
96.97588	1.6
111.01994	6.7
127.90848	0.7
136.50610	0.6
138.98039	5.1
150.98033	6.0
153.50838	0.6
164.03539	0.6
179.03456	1.5
192.99089	2.7
197.04593	1.4
211.00143	9.6
264.74924	0.7
280.02271	4.9
323.02893	100.0
393.02472	0.8
683.20453	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
62.76814	0.5
63.36889	0.4
71.01371	0.7
72.99299	0.7
78.95906	0.6
79.95734	1.0
86.69779	0.5
89.02420	2.0
96.96005	100.0
101.02451	1.0
113.02456	0.6
115.04010	0.8
123.04509	2.5
124.70677	0.6
152.53296	0.6
159.09111	0.7
164.04791	0.9
223.06238	0.9
235.09824	0.9
438.20898	0.7
494.96060	0.7
521.27362	0.7
683.33136	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92130	1.1
58.50214	1.1
59.01381	21.0
63.26500	1.3
65.57177	1.4
71.01389	10.6
79.42706	1.1
83.83644	1.2
89.02436	17.5
89.38775	1.1
90.15605	1.3
92.22534	2.4
96.81847	1.2
101.02438	12.5
111.87209	1.2
113.02454	6.7
116.92857	4.5
119.03510	5.1
119.05009	19.7
127.14683	1.2
131.04672	1.8
135.04442	1.5
151.04063	1.3
162.03233	27.7
163.04021	48.0
165.33003	1.2
177.05573	100.0
179.03485	4.3
179.05580	2.5
191.05629	2.0
213.06975	1.3
253.06987	1.4
272.31873	1.3
325.09293	11.0
357.08365	2.4
357.11960	37.9
374.00641	1.2
460.49124	1.5
517.65540	1.3
521.20227	1.7
525.63391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92130	1.1
58.50214	1.1
59.01381	21.0
63.26500	1.3
65.57177	1.4
71.01389	10.6
79.42706	1.1
83.83644	1.2
89.02436	17.5
89.38775	1.1
90.15605	1.3
92.22534	2.4
96.81847	1.2
101.02438	12.5
111.87209	1.2
113.02454	6.7
116.92857	4.5
119.03510	5.1
119.05009	19.7
127.14683	1.2
131.04672	1.8
135.04442	1.5
151.04063	1.3
162.03233	27.7
163.04021	48.0
165.33003	1.2
177.05573	100.0
179.03485	4.3
179.05580	2.5
191.05629	2.0
213.06975	1.3
253.06987	1.4
272.31873	1.3
325.09293	11.0
357.08365	2.4
357.11960	37.9
374.00641	1.2
460.49124	1.5
517.65540	1.3
521.20227	1.7
525.63391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57615	0.3
52.47737	0.4
58.10036	0.4
59.01383	22.6
63.07802	0.4
71.01377	19.1
73.02929	0.8
76.01821	0.4
76.67766	0.5
85.02926	1.6
87.00873	0.9
87.11810	0.4
89.02438	56.7
95.01368	0.7
98.82784	0.4
101.02441	16.2
111.79793	0.4
113.02452	15.5
119.03487	20.1
131.03502	2.6
143.03487	3.8
149.04510	2.0
161.04546	5.0
179.05627	13.0
183.62122	0.4
183.79283	0.4
191.05598	4.8
192.33842	0.5
235.04565	0.6
274.19437	0.5
289.66428	0.5
334.82257	0.5
341.10931	100.0
569.20801	0.5
683.22327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.4
59.01683	0.9
66.60451	0.5
67.13293	0.4
71.01379	19.8
72.99297	0.5
73.02940	1.0
76.87605	0.5
82.50875	0.5
85.02944	2.6
87.00862	1.3
89.02441	59.2
95.01355	0.6
101.02442	19.5
101.03091	1.1
101.97066	0.5
104.25939	0.5
109.17822	0.5
113.02451	14.8
119.03497	23.3
131.03499	3.6
136.78329	0.5
143.03517	3.6
149.04535	2.5
161.04552	5.3
179.00189	0.8
179.05611	17.9
191.05617	5.7
221.06607	1.0
229.64580	0.5
275.74728	0.6
341.10938	100.0
401.32132	0.5
472.81027	0.5
491.12564	0.9
627.89575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11109	2.3
52.61323	2.4
59.01381	16.3
71.01383	6.6
72.99303	96.8
72.99692	3.9
88.98815	32.1
89.02461	28.4
91.00360	14.4
95.23933	2.7
101.02430	4.6
113.02431	17.8
117.99276	2.7
118.80389	2.6
134.99161	3.0
135.04533	31.6
145.02975	3.7
149.06052	4.3
161.02449	51.3
177.05579	30.9
179.03506	100.0
209.11823	25.6
221.04620	48.4
227.12878	5.5
251.05669	23.6
265.70358	3.1
281.06671	45.3
283.06204	5.5
284.06421	11.0
285.06818	3.0
293.39508	2.9
311.09241	31.0
326.11536	24.5
341.08783	76.4
683.23694	55.6
683.34802	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2564
Annotation	Yadanzioside E
Peak:m/z	Relative Intensity
57.23011	1.6
59.01380	21.5
71.01373	13.7
72.99306	3.7
73.02934	1.8
85.02950	7.8
87.00867	2.1
89.02441	11.8
91.37222	1.5
91.48671	1.7
97.94309	1.7
101.02437	15.6
101.73224	2.1
113.02441	4.0
135.04460	2.4
135.63261	1.7
161.02431	16.7
167.20641	1.8
179.03494	7.9
179.07133	10.8
197.04543	14.1
281.08258	6.8
282.08990	2.8
295.09726	1.9
314.08496	2.5
314.11810	8.3
317.31342	2.1
323.07785	2.8
326.11514	13.8
327.12384	9.6
329.13934	28.4
341.13916	15.4
343.67734	1.9
355.11823	8.2
403.81055	1.6
461.14398	2.3
473.14258	2.3
476.16916	24.5
488.17297	14.1
491.19324	100.0
492.59729	1.9
503.19376	61.5
521.13751	4.4
521.20361	88.8
610.02472	1.9
683.18274	12.7
683.30975	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
59.90749	0.4
70.79933	0.4
71.01371	0.5
71.27338	0.4
101.02454	0.6
107.25271	0.4
136.05327	1.0
138.01814	0.5
143.43825	0.5
150.03197	0.9
159.04503	0.5
160.05273	7.7
161.04521	0.7
161.05962	0.6
163.04008	0.5
164.04778	2.6
173.05995	0.6
175.07645	22.3
177.05562	2.5
178.06371	13.8
192.07930	7.8
193.08736	5.0
314.11572	0.9
329.13983	100.0
359.15033	34.0
465.96396	0.5
466.11401	0.5
470.97238	0.5
488.54782	0.4
521.20355	28.9
542.11804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14845	0.9
55.01862	0.8
58.00593	0.8
59.01379	13.9
62.36676	0.8
70.92189	0.9
71.01377	10.4
73.02938	2.1
83.01398	1.1
85.02948	5.1
87.00894	1.4
89.02426	5.4
97.02847	0.9
99.00860	1.1
101.02427	11.7
113.02436	4.7
119.03484	1.3
121.02946	1.2
165.05569	1.3
219.06694	1.0
270.08997	1.1
279.73657	0.9
281.08218	7.0
282.08893	4.3
283.09821	2.1
287.10605	0.9
293.08298	1.1
295.09796	1.8
305.75949	1.1
314.11560	8.3
315.12408	3.8
326.11581	15.3
327.12289	7.0
329.13998	28.3
341.14044	15.2
343.11853	3.5
355.12015	8.5
369.13510	1.3
410.89023	0.9
435.16559	4.8
461.14557	3.3
473.14563	5.0
476.16910	28.5
488.17014	14.7
491.19299	100.0
503.19299	56.3
517.01172	1.0
521.20337	68.1
521.28174	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38037	3.1
53.79250	2.7
53.96687	2.6
59.01383	47.4
61.62078	3.1
64.07843	3.1
71.01379	14.6
73.02933	4.3
84.24371	3.0
85.02953	5.7
89.02439	23.2
90.69611	3.0
96.96033	31.6
101.02450	8.2
113.02403	3.8
147.14960	3.4
149.02425	14.3
150.03223	65.9
151.00356	4.9
151.04012	7.1
152.76016	3.1
161.04617	4.0
164.04797	8.3
165.05566	100.0
166.02698	63.9
166.06277	4.6
175.03857	2.9
181.05067	94.5
193.05098	4.3
195.06625	29.3
205.05077	14.4
207.10338	5.5
223.06290	5.9
225.07689	37.9
225.11292	14.8
241.56409	3.2
243.12451	3.4
299.09164	4.8
329.10434	5.5
329.13971	44.8
341.10339	6.9
373.12918	53.0
377.12628	3.9
421.15039	17.2
487.18286	13.0
521.20361	13.7
623.25366	20.8
635.23676	24.6
653.24823	17.2
665.24805	18.8
683.25854	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54618	1.2
59.01382	31.1
66.79633	1.7
71.01369	6.7
73.02941	2.3
78.44864	1.4
85.02928	2.5
89.02431	10.3
92.22427	2.0
96.96002	3.1
97.50732	1.5
101.02441	8.6
113.02420	6.8
119.03458	2.2
122.03831	1.6
149.02473	2.5
150.03200	23.2
151.00363	11.1
161.04565	7.0
164.04784	6.9
165.05577	45.9
166.02707	66.4
180.04202	3.7
181.05067	100.0
185.93065	1.6
187.94765	1.7
189.34875	1.7
190.02829	2.7
195.06633	24.0
205.05003	14.8
223.06105	7.0
225.25706	1.5
263.11475	2.9
267.78546	1.5
305.12210	2.1
329.10291	3.5
368.83844	1.8
377.12366	8.3
469.17224	8.6
487.18146	2.2
531.76959	1.8
665.24292	11.8
683.25195	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19503	1.2
57.03453	19.2
58.29110	1.2
59.01381	39.3
59.49667	1.2
62.39004	1.4
71.01345	7.3
71.41821	1.6
72.43547	1.4
72.99270	2.0
85.02923	2.6
89.02393	9.0
92.22478	2.8
95.05013	2.2
97.02937	2.2
99.00845	1.7
99.04527	14.7
101.02441	12.0
101.02961	1.7
101.43876	1.4
106.39326	1.4
109.02895	5.9
109.06541	2.4
113.02380	2.8
115.03945	7.7
121.06516	2.2
122.03710	2.1
123.04445	2.0
124.05273	4.7
133.06488	5.9
134.09447	1.5
137.05981	8.7
137.58299	1.5
139.07657	100.0
149.06026	3.3
151.07509	1.6
161.04454	9.4
161.09496	1.5
163.07466	2.0
168.07899	19.4
169.08644	3.0
187.11337	15.2
190.09721	1.8
192.84007	1.4
197.04338	1.7
205.12352	37.0
205.33308	1.5
210.08743	1.9
217.12234	2.2
231.10147	6.6
235.13214	3.0
249.11205	2.1
261.11264	2.0
273.11221	1.9
279.09598	2.0
279.12415	56.4
303.12265	3.2
321.13345	3.4
337.06415	1.6
423.16641	22.4
440.20248	2.0
441.17853	21.5
517.50006	1.7
539.21033	6.7
585.29358	2.0
683.24860	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28767	0.3
57.69045	0.4
58.32232	0.3
59.01371	0.9
59.47404	0.3
65.24705	0.4
69.18967	0.3
71.01385	1.9
74.87363	0.4
81.19720	0.3
85.02956	0.5
89.02448	0.6
93.03452	0.4
101.02425	0.5
113.02470	0.7
116.47014	0.4
123.04536	0.5
127.67033	0.4
136.05289	1.6
149.02470	0.7
150.03230	2.5
156.26013	0.4
159.04468	0.9
160.05276	5.5
161.04559	1.7
161.05980	0.7
163.03990	2.1
164.04790	2.9
175.07643	19.3
177.05585	4.5
178.04840	0.8
178.06343	12.4
191.05641	2.1
192.07939	7.0
193.05150	0.5
193.08688	4.6
197.04659	0.4
209.91737	0.4
217.71268	0.4
241.76500	0.5
314.11694	1.7
329.13986	100.0
346.26318	0.4
359.15070	27.2
367.10181	0.6
521.20319	27.1
642.69128	0.5
683.26855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28767	0.3
57.69045	0.4
58.32232	0.3
59.01371	0.9
59.47404	0.3
65.24705	0.4
69.18967	0.3
71.01385	1.9
74.87363	0.4
81.19720	0.3
85.02956	0.5
89.02448	0.6
93.03452	0.4
101.02425	0.5
113.02470	0.7
116.47014	0.4
123.04536	0.5
127.67033	0.4
136.05289	1.6
149.02470	0.7
150.03230	2.5
156.26013	0.4
159.04468	0.9
160.05276	5.5
161.04559	1.7
161.05980	0.7
163.03990	2.1
164.04790	2.9
175.07643	19.3
177.05585	4.5
178.04840	0.8
178.06343	12.4
191.05641	2.1
192.07939	7.0
193.05150	0.5
193.08688	4.6
197.04659	0.4
209.91737	0.4
217.71268	0.4
241.76500	0.5
314.11694	1.7
329.13986	100.0
346.26318	0.4
359.15070	27.2
367.10181	0.6
521.20319	27.1
642.69128	0.5
683.26855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61983	3.9
55.10421	3.4
56.51237	3.6
56.53942	4.2
57.45169	3.6
59.01382	83.9
59.20402	3.1
60.14846	3.6
61.48329	3.8
65.82502	3.9
71.01369	51.4
85.02945	5.8
89.02433	73.2
97.02927	6.6
101.02444	46.6
113.02436	28.5
118.30228	4.0
119.03480	31.0
125.02422	28.8
143.03514	5.1
151.03928	9.7
152.04359	5.7
160.05273	19.5
161.04616	8.6
175.07684	26.4
177.05513	4.4
178.06380	6.0
179.05632	9.0
182.23236	4.1
196.32687	4.4
207.15063	5.0
221.80560	4.8
323.09805	63.5
329.13968	51.0
347.88452	4.2
350.10452	3.9
521.20282	5.9
653.24603	100.0
683.25604	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01392	0.9
56.26732	0.9
56.27034	1.0
56.97554	0.8
59.01374	2.7
62.77584	1.0
64.47858	0.9
71.01384	1.2
72.99303	66.7
73.32557	1.1
83.91173	1.0
89.02417	2.2
90.85522	1.0
96.95994	18.0
101.02413	1.4
103.27068	1.1
120.38576	1.0
123.04510	15.0
135.04533	20.9
150.03287	1.1
151.03989	1.3
160.05318	2.1
174.60063	1.0
175.07597	5.4
178.06349	4.0
179.03510	63.8
192.07947	1.7
197.04564	83.9
215.05547	1.3
242.93314	1.2
263.11609	1.1
300.73880	1.2
329.13962	28.1
359.15027	7.5
521.20203	8.1
683.29346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34839	0.4
53.58955	0.5
56.88428	0.4
57.42100	0.4
59.01364	0.8
61.98834	0.7
70.47900	0.4
77.80418	0.5
117.03461	3.6
119.05017	100.0
145.02954	19.7
147.04517	0.6
163.04013	91.9
172.16905	0.5
187.04056	0.8
218.15053	0.6
277.21732	4.9
277.81564	0.5
405.12003	1.9
683.34161	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
65.35452	12.1
70.61115	13.5
78.95898	18.6
80.73904	15.5
99.17620	15.8
124.49571	15.4
152.99454	26.2
156.13901	20.4
165.20645	18.1
175.85263	19.0
253.21866	38.0
279.23306	87.4
420.37177	16.6
471.20248	16.9
683.34631	24.5
683.44794	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.392
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79137	1.5
72.63940	1.3
94.98078	5.9
96.04552	1.6
104.15813	1.4
106.28372	1.4
108.04530	1.8
121.05331	11.9
122.06133	21.9
124.07646	2.7
148.04071	2.7
150.05624	6.3
153.04308	1.9
162.05644	2.0
174.09215	3.5
185.15134	2.0
217.09840	46.3
228.10406	2.3
229.09846	35.4
245.12975	16.8
256.08264	2.2
271.10867	21.4
289.12006	2.8
338.41058	1.7
514.67529	1.8
561.54749	1.7
567.42017	5.5
604.07092	1.6
611.30597	3.3
611.40753	100.0
701.18805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39980	1.9
94.98068	38.7
96.40090	2.3
108.04574	2.8
112.34020	2.5
115.56020	2.8
121.05317	10.8
122.06097	21.7
125.34873	2.4
129.43152	2.3
140.43430	2.4
148.04071	3.6
150.05582	5.7
150.75728	2.2
153.04321	3.2
154.83514	2.5
217.09840	58.7
229.09816	39.8
245.12927	15.2
271.11072	20.2
291.62848	2.4
328.05371	2.6
338.20782	3.0
567.41754	3.3
611.40729	100.0
611.50177	5.0
683.40448	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01481	0.3
59.01385	21.5
70.27480	0.4
80.49574	0.3
97.02933	2.9
125.09598	0.4
143.15880	0.4
279.23315	100.0
327.19608	0.4
343.14130	1.3
353.24454	0.6
377.26901	0.8
683.41730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17933	1.0
58.01627	1.1
59.01380	5.0
59.18769	1.0
61.98834	2.1
70.07938	1.2
93.32091	1.4
96.42605	1.2
97.06565	5.2
97.99202	1.3
101.02401	2.4
113.02430	1.7
123.08155	2.8
125.09718	77.6
152.99588	3.0
164.27881	1.3
169.08664	1.6
187.09763	39.3
207.97244	1.2
208.90033	1.2
277.21741	45.1
683.40179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.3
61.09213	0.9
61.98815	0.9
64.52876	0.8
71.01368	2.1
78.95888	1.1
83.66734	0.9
89.02439	4.0
90.07256	0.8
97.06572	4.7
98.97398	0.9
101.02435	3.7
113.02465	1.2
117.00844	0.8
119.03492	1.6
123.08118	1.2
125.09711	73.5
134.52696	0.8
148.58444	1.0
152.99684	1.0
161.04547	1.3
169.08757	3.2
187.09760	84.4
229.30305	1.0
277.21753	17.0
423.18958	3.4
560.03766	1.2
683.40167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.5
76.42497	0.4
93.84914	0.4
97.02953	2.3
112.47829	0.4
114.74339	0.5
167.60332	0.5
168.02556	0.4
173.21103	0.5
188.07225	0.6
255.23277	3.5
258.10040	0.5
269.24872	4.4
277.21881	3.8
279.23309	100.0
297.24420	0.6
377.27084	2.2
610.66779	0.5
683.42639	0.7
690.78186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44889	1.2
53.89809	1.4
59.01382	77.2
59.89061	1.2
61.98834	6.5
62.21199	1.4
117.09738	1.5
142.23238	1.6
150.59537	1.7
164.22386	1.7
177.62527	1.6
191.72531	1.7
198.14757	2.0
226.14459	1.9
277.21695	10.2
279.23303	100.0
683.40808	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01257	0.4
56.16772	0.5
59.01384	85.4
62.46963	0.5
62.59382	0.4
63.72145	0.4
71.01386	2.6
89.02442	5.1
90.25203	0.5
96.95997	0.6
101.02427	1.9
109.37773	0.6
113.02480	1.0
119.03479	2.0
125.09648	0.7
127.34547	0.5
153.82256	0.5
179.05595	3.5
279.23318	100.0
293.95724	0.5
370.19962	0.6
377.27090	2.1
419.27625	0.7
459.45187	0.6
683.43060	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.03160	0.2
60.56306	0.2
66.14689	0.3
90.29880	0.3
94.99213	0.3
100.52634	0.3
105.01920	1.7
114.96186	0.3
118.17203	0.3
125.95647	0.3
204.91476	0.3
253.21747	100.0
323.03238	0.3
341.23364	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26285	0.4
53.46287	0.5
61.75067	0.4
66.36290	0.4
74.96746	0.5
164.54160	0.5
167.20982	0.5
177.94022	0.5
206.75354	0.5
267.26953	100.0
269.28522	30.2
277.22342	0.5
281.24738	0.8
287.29532	3.7
313.27533	12.2
321.66135	0.5
341.26953	8.0
588.21295	0.6
598.95026	0.6
613.49060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.3
59.28833	0.6
62.98971	0.6
71.01393	1.2
82.07908	0.6
89.02440	1.6
91.11726	0.7
92.05063	0.8
93.97260	0.7
101.02437	1.6
116.05027	2.9
118.02989	1.0
118.87494	0.7
130.06606	3.9
134.06096	3.0
135.47169	0.6
142.06650	1.5
144.04546	74.5
146.02477	40.6
146.06099	0.8
148.07610	0.9
153.05574	1.4
158.06100	18.6
160.04060	3.8
162.05602	9.2
174.05597	2.9
176.07170	29.8
186.05605	12.6
188.03493	2.9
188.21002	0.7
204.06676	14.0
230.04581	2.8
247.78568	0.8
262.21124	0.7
308.07794	3.6
350.08731	3.7
368.09882	100.0
416.17096	0.7
466.68015	0.8
486.70889	0.7
541.02264	0.9
588.94360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.18596	0.4
70.32044	0.3
72.71521	0.3
75.74295	0.4
81.73421	0.3
92.22575	0.6
95.82183	0.4
131.00391	0.3
164.04829	2.9
223.06131	3.0
621.22046	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93513	0.3
71.01356	0.4
72.00905	0.5
73.02939	0.8
79.46724	0.3
89.02473	0.5
93.03448	1.4
101.02442	8.9
119.05018	1.7
153.76848	0.4
160.07748	1.4
163.04041	4.5
165.05602	0.7
180.06676	100.0
222.07799	2.4
231.92902	0.5
252.08784	15.2
264.08774	0.6
294.09857	0.5
342.11987	21.3
351.30936	0.4
353.47382	0.4
503.16486	0.8
522.32758	0.3
684.23871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89523	0.4
52.11420	0.4
59.01372	0.9
61.98833	100.0
71.64365	0.5
90.02312	0.5
96.26482	0.5
100.16917	0.6
109.31683	0.5
127.16994	0.6
143.10260	0.6
176.20828	0.6
277.21707	0.8
278.21921	1.1
428.21228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56394	0.6
54.04177	0.6
61.98833	100.0
65.06630	0.5
69.94365	0.5
77.66379	0.6
83.83656	0.6
92.23119	0.8
93.32002	0.6
112.60313	0.8
117.90411	0.6
136.41508	0.6
151.78725	0.6
179.91226	0.6
183.22070	0.6
270.27112	0.7
277.21863	0.9
389.64670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34414	0.6
54.89568	0.5
59.01374	2.5
61.98832	100.0
63.67577	0.5
73.22518	0.6
80.37016	0.5
90.72889	0.6
91.74793	0.6
104.66617	0.5
140.52324	0.6
148.49577	0.6
160.56842	0.7
187.44264	0.6
192.36528	0.6
278.22137	1.2
498.37076	0.7
594.72235	0.6
679.33820	0.7
684.39777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95616	0.7
59.01376	1.9
61.98833	100.0
64.21378	0.7
68.11204	0.7
71.01389	1.1
72.99300	5.3
73.63039	0.7
75.53829	0.6
85.02956	1.0
88.98778	1.3
89.02412	0.9
97.09571	0.8
97.76153	0.8
101.02423	1.7
105.37147	0.8
113.02394	1.0
114.69275	0.8
119.05025	19.3
131.44284	0.7
138.52625	0.8
145.02950	12.2
150.06841	6.0
154.23203	0.7
162.03233	1.5
163.04031	18.7
163.07690	1.0
168.46658	0.8
179.10789	5.1
191.05647	1.6
201.11475	1.0
341.23425	1.1
343.21198	3.7
476.31146	0.9
477.32294	4.2
504.31168	1.8
522.32111	8.1
523.32800	11.5
639.16522	0.9
685.25165	29.5
685.38153	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58174	0.7
59.01369	0.9
71.02409	0.8
72.99294	1.0
78.95901	1.3
93.03440	1.5
96.95997	3.6
96.96939	1.6
112.31332	0.8
119.04985	1.6
132.90794	0.9
132.92117	0.8
135.04539	1.8
154.91740	0.8
159.74309	0.9
163.03998	15.1
169.01399	1.0
181.05069	100.0
191.05618	13.1
197.04533	2.1
222.06419	0.9
225.11345	0.9
234.61540	0.8
243.70259	0.9
341.10806	0.9
343.10373	60.3
468.43320	0.9
552.17322	1.1
703.52118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01348	0.2
60.96538	0.2
64.80614	0.2
65.17260	0.3
71.01389	0.3
72.99314	1.7
74.51082	0.3
93.03437	1.2
119.04992	2.1
135.04532	4.2
135.42230	0.3
137.06071	0.4
163.03999	15.2
181.05070	100.0
231.35033	0.3
325.08145	0.3
343.10367	64.1
685.22076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47550	0.8
59.01384	8.8
59.70602	0.9
63.44828	0.9
70.89561	0.9
71.01376	7.0
71.01724	0.9
71.45367	0.9
73.02959	1.1
73.97842	1.1
76.81196	1.0
85.02957	2.2
87.00857	1.3
89.02445	8.7
101.02431	4.8
110.19218	1.1
113.02459	2.3
119.03461	4.2
121.02968	1.7
122.03735	1.8
123.07658	1.1
134.03746	29.3
135.04570	2.0
149.02486	2.4
149.06116	10.6
150.03214	16.1
151.04132	1.1
151.06088	5.4
160.01668	18.5
163.11685	1.1
164.04771	1.8
165.05573	34.4
168.73738	1.1
175.04001	94.0
178.02727	2.0
180.04257	4.3
191.05640	1.5
191.07147	9.3
193.05066	70.1
195.06648	6.2
207.06728	4.3
235.06071	23.8
250.06390	1.5
265.07050	1.7
282.09000	6.1
295.07971	2.5
313.11130	1.1
324.22275	1.3
341.10403	8.7
343.15436	1.1
346.13892	1.3
355.11832	4.4
361.16620	15.1
383.11938	1.1
389.12643	1.2
447.68259	1.2
459.14966	7.2
489.16202	48.9
523.21869	24.4
637.21497	4.3
685.23602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.9
58.51832	0.8
59.01378	3.9
63.52031	0.9
65.00334	4.0
65.90340	0.8
67.76965	0.8
71.01361	1.9
75.00869	0.9
76.87765	0.9
85.02979	1.0
87.00892	1.6
97.77263	0.9
101.02454	3.6
105.01916	8.8
105.85331	1.0
111.00852	9.5
113.02451	1.6
137.66298	0.9
138.03229	1.6
149.02475	1.7
153.05580	4.8
154.99852	8.7
163.04051	1.9
164.04774	16.0
166.02788	1.7
175.30019	1.0
177.05603	1.1
178.06351	2.0
179.07164	14.7
190.02661	1.8
191.03514	5.7
194.05731	1.0
195.06630	1.3
195.13858	1.7
197.04529	1.7
198.98846	5.3
199.09758	1.5
205.05086	11.3
205.08714	1.3
206.05865	35.6
207.02959	5.9
208.03728	4.5
221.04623	2.1
221.08195	38.3
222.05386	4.4
223.06108	10.2
231.16798	0.9
235.02431	4.5
236.07008	4.4
239.12865	4.6
247.06192	1.0
250.04832	29.2
251.09193	1.3
263.09500	1.0
265.07181	100.0
275.42444	1.0
295.08380	6.4
302.95206	1.0
311.59555	1.0
325.09320	7.8
463.16266	12.7
505.17392	7.3
589.38208	1.0
684.04199	1.1
685.34479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88464	0.5
57.03445	0.5
59.01381	39.7
64.46091	0.5
71.01376	2.5
72.99288	1.2
73.97949	0.5
78.95914	0.5
85.02958	0.7
89.02422	2.5
96.96002	11.1
101.02449	2.2
111.00838	1.0
113.02433	4.5
135.04497	0.6
138.66374	0.5
149.02396	8.1
149.06192	0.6
153.05504	0.9
161.04576	1.0
163.04065	0.8
164.04794	66.8
166.02715	5.4
177.05464	2.0
178.06357	2.8
179.03584	1.0
179.07137	45.7
180.04248	1.3
181.05121	0.9
183.06609	2.5
187.97571	5.1
190.02733	1.3
191.03581	0.7
195.06628	3.0
197.04561	1.4
205.05017	7.8
206.05818	3.7
207.03001	1.0
210.05353	0.7
221.04622	0.8
221.08279	4.8
222.05324	5.8
223.06227	4.1
225.07799	0.8
236.06763	0.7
237.07674	3.5
247.06117	0.9
250.04779	2.9
265.07208	13.9
273.68350	0.6
274.15115	0.6
295.08072	0.9
308.82269	0.6
314.78488	0.7
325.09332	0.6
337.19650	0.7
350.02802	2.5
385.11554	2.3
385.85251	0.6
390.32715	0.7
427.56534	0.6
463.16159	100.0
505.17267	0.9
523.18561	1.0
588.69824	0.7
625.21350	1.3
646.74622	0.7
685.32690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67856	0.7
57.21002	0.8
59.01394	4.3
71.01373	1.9
75.94740	0.9
88.98778	1.1
89.02457	2.0
101.02436	1.7
111.00887	5.9
113.02457	1.4
124.05693	0.8
133.03009	1.7
135.04509	1.8
136.58958	0.9
137.02385	1.2
138.03137	0.8
149.02380	1.0
153.05569	3.4
155.70450	0.8
161.02441	31.8
162.02994	0.8
163.04068	1.1
164.04774	17.6
166.02693	1.7
175.04039	1.4
177.05624	1.6
178.06361	2.1
179.03625	1.3
179.07140	20.2
181.05096	1.1
183.06570	1.5
190.02696	1.4
191.03618	6.0
199.10081	0.8
205.05109	11.6
206.05869	33.4
206.07718	1.7
207.03014	5.8
208.03763	9.2
212.83173	0.9
221.04753	1.3
221.08217	39.0
222.05380	5.0
223.06119	16.6
233.07979	1.0
235.02515	4.1
236.06932	4.7
247.06108	0.9
249.07773	1.0
250.04872	27.9
251.09291	1.3
264.06546	1.0
265.07196	100.0
295.08261	8.6
325.09488	6.3
425.14655	17.5
463.16098	21.7
505.17242	5.4
534.61578	1.0
587.19916	6.2
685.23071	1.1
685.34564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
64.74054	0.2
72.00912	0.4
73.02946	0.5
84.04604	0.3
93.03454	1.5
101.02442	9.8
113.02482	0.4
119.05026	1.2
128.91760	0.3
160.07672	2.0
163.04024	4.2
163.53064	0.3
165.05524	1.3
166.38322	0.3
174.67493	0.3
180.06673	100.0
181.07019	5.0
222.07796	2.8
252.08775	14.7
264.08917	0.5
265.23602	0.3
282.09924	0.5
294.09927	1.2
342.07840	0.7
342.11996	17.5
343.12369	1.7
347.07892	0.3
404.72052	0.3
422.23215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92406	0.5
57.97634	0.5
59.01385	2.7
71.01377	1.5
77.61004	0.6
89.02459	0.8
89.09634	0.6
96.95974	0.8
101.02437	3.4
113.02447	1.0
117.03455	9.7
119.05032	12.6
121.02938	0.9
123.04581	0.7
129.66806	0.6
133.02948	1.0
134.03815	0.9
135.04524	3.0
137.02420	1.1
143.05904	0.6
145.02959	100.0
149.06084	0.8
150.03195	6.6
151.04025	1.0
161.02454	5.8
161.06039	0.7
163.04015	18.0
164.38651	0.6
165.05556	5.4
169.64818	0.6
177.05582	2.5
179.03540	1.1
180.04321	0.7
182.21397	0.6
250.63019	0.7
284.03299	19.4
299.05658	30.8
329.13953	0.9
343.14227	0.7
343.21042	1.2
344.83438	0.6
441.14148	0.7
543.18927	4.1
587.18280	3.3
637.22913	11.1
649.17157	9.9
667.23901	11.9
685.25250	43.8
685.36493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81507	0.2
54.41517	0.2
60.96375	0.3
62.38031	0.2
62.73220	0.2
64.97504	0.4
71.01378	0.4
73.02959	0.3
80.46105	0.3
105.40344	0.3
109.02939	1.3
110.87877	0.3
121.02943	1.2
122.03729	3.3
123.55889	0.3
133.01462	0.7
135.04459	0.6
136.05284	0.4
165.05559	11.4
179.07114	3.0
206.70168	0.4
298.12097	0.3
313.14636	0.5
315.12402	1.3
316.13306	0.4
325.65298	0.3
334.57593	0.3
343.15274	0.4
343.99426	0.4
346.14230	15.2
361.16611	100.0
523.21881	22.3
523.29834	0.6
608.71765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80513	0.7
59.01384	4.4
62.62878	0.6
66.93824	0.7
66.99405	0.6
71.01373	1.0
85.03005	0.8
89.02460	0.8
101.02432	1.5
109.79612	0.6
113.02505	1.0
117.03432	4.1
120.47466	0.7
129.68704	0.7
134.03735	90.1
149.06085	12.9
160.01669	7.7
161.04500	0.8
163.47871	0.8
175.03990	14.5
193.05061	100.0
291.18121	1.6
447.22482	0.8
641.28259	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2724
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
57.03441	1.7
59.01383	41.8
71.01374	4.6
72.99269	0.8
73.02944	1.2
85.02907	0.7
89.02444	7.9
96.07893	0.7
99.00874	8.5
99.04453	2.6
101.02413	4.0
106.95830	0.8
109.36127	0.8
113.02441	5.3
119.03455	2.9
119.08633	0.8
123.04542	1.1
130.07869	0.7
134.03732	0.8
137.09735	7.3
149.04532	0.9
155.10773	0.8
161.09787	1.5
162.61243	0.8
163.07477	1.0
179.03419	0.9
179.10670	1.9
181.08714	8.9
185.08855	0.8
191.05554	1.0
197.11861	11.5
199.09669	1.2
223.09718	0.9
241.10777	4.2
305.75107	0.7
349.20389	1.0
367.23398	1.0
435.53656	0.9
461.16559	1.5
568.70288	0.9
580.90607	0.9
600.69312	0.8
685.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50094	1.4
59.01381	100.0
65.61215	1.8
65.65720	1.8
71.01376	39.9
85.02938	2.7
89.02437	62.6
89.02962	3.3
93.49087	2.1
95.01392	2.6
101.02443	21.5
113.02448	18.5
119.03505	23.9
127.83463	2.1
138.28082	1.8
143.03499	2.8
150.03322	2.3
161.02437	24.9
161.04576	8.6
165.05542	4.5
166.51337	2.2
170.25226	2.3
179.05621	46.2
181.05081	2.1
213.62233	2.0
329.10312	4.7
341.10233	20.5
344.12708	10.9
356.12811	19.9
359.15121	11.4
371.15027	37.7
425.14661	13.7
537.22882	2.0
625.24628	4.2
685.26123	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.7
59.35833	1.9
59.70379	1.9
63.34104	1.8
71.01380	20.2
71.49785	1.9
73.02937	3.7
78.34354	1.6
85.02937	7.8
89.02440	4.7
92.22531	2.4
93.18806	1.8
99.00860	8.9
100.91565	2.2
101.02440	19.6
113.02448	8.3
115.00370	10.1
116.23255	1.7
127.24039	2.0
133.01411	24.6
134.72763	2.0
136.07768	2.0
147.46669	1.8
159.02911	2.3
161.04543	14.5
165.05554	11.9
179.07159	4.6
302.79404	2.3
331.17667	9.8
340.12158	2.4
346.14359	13.0
361.16617	100.0
523.21930	21.8
625.27234	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
56.47887	1.4
57.03445	1.7
59.01104	1.8
59.01379	42.4
61.98808	3.1
71.01017	1.9
71.01379	40.7
72.99300	3.3
73.02938	8.4
73.05147	1.5
83.01395	3.8
85.02926	11.0
87.00846	2.0
89.02433	33.6
92.22504	3.0
93.40907	1.5
95.01366	2.7
99.00876	2.0
100.97003	1.6
101.02426	35.5
113.02431	19.4
113.06057	9.3
119.03455	14.6
125.03492	1.8
143.03468	3.0
150.06833	8.5
151.03961	2.5
153.09222	2.7
159.02934	2.4
161.02454	13.4
161.04541	4.3
176.04788	16.8
179.03462	20.3
179.05594	16.7
179.10757	9.3
191.07083	10.2
194.05846	68.7
207.12059	4.2
208.47960	2.0
209.08205	76.8
211.13367	2.6
221.06557	4.1
225.05110	2.6
229.14418	3.5
243.70313	1.8
268.24063	1.9
271.05789	2.2
333.85297	2.0
391.19778	12.1
422.32019	2.0
475.21869	23.5
477.32709	2.3
493.31659	2.9
522.31793	2.1
523.25476	8.0
523.32715	12.2
528.29114	2.4
578.01086	2.0
625.39813	2.9
667.34039	2.2
685.33978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44113	0.5
61.98824	0.9
65.34493	0.5
87.00869	1.1
150.06862	17.1
179.10786	17.5
229.10760	1.0
235.59593	0.6
335.22171	1.0
341.23352	3.2
342.71915	0.7
343.21378	5.7
441.30170	0.8
459.31232	2.5
462.29938	1.5
476.31262	5.0
477.32422	11.0
504.30975	5.8
505.31631	3.6
522.32153	14.7
523.32770	35.6
685.38141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51851	0.3
51.99963	0.4
52.48783	0.4
54.51307	0.4
61.13912	0.4
61.84074	0.5
61.98828	1.0
69.76888	0.5
70.40175	0.4
71.01330	0.5
72.43404	0.5
150.06860	26.5
164.08421	2.2
176.21948	0.4
177.09122	0.6
179.10791	25.4
229.10883	0.8
299.18777	0.5
321.20718	1.8
335.22238	1.7
341.23483	1.7
343.21295	8.4
364.22641	2.3
441.30295	0.9
459.31302	2.1
462.29892	4.6
476.31506	0.8
477.32278	15.0
504.30905	2.1
505.31784	4.4
522.32098	4.5
523.32837	47.0
685.38141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01376	2.2
71.05034	1.4
78.28091	1.2
89.02438	1.5
101.02459	1.5
121.27949	1.2
123.04564	1.4
128.51897	1.2
142.95058	1.1
145.02939	7.3
161.13348	1.8
163.11212	1.4
189.09192	1.4
196.64098	1.1
207.10240	2.8
223.13387	57.9
267.12415	85.9
267.15469	3.4
343.21368	1.4
398.35864	1.5
685.25397	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93756	4.3
71.13107	3.8
79.08263	4.8
82.63471	4.3
86.91207	4.9
94.98096	8.0
122.82951	4.5
221.45882	5.1
244.04814	8.6
257.05627	7.1
258.06415	6.9
259.07236	42.1
287.10501	7.0
291.09906	34.7
313.08447	8.9
359.65088	4.8
368.74765	5.0
441.36026	4.9
685.40771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77522	1.6
54.47844	2.0
59.01379	9.3
61.98827	17.0
69.91129	2.0
71.01376	4.2
74.33338	2.1
78.95898	4.7
81.64365	2.0
85.67573	2.1
89.02434	3.8
92.22995	3.1
97.06595	5.1
101.02455	2.2
113.02508	2.6
125.09713	75.5
152.99484	3.3
166.80754	2.0
187.09753	98.5
241.11586	2.2
255.23253	12.4
279.23264	20.1
292.61917	2.6
458.76904	2.4
685.41797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25915	0.7
58.56857	0.6
59.01100	1.0
59.01382	18.5
71.01381	0.7
78.95915	0.9
82.13550	0.7
89.06513	0.8
94.98091	3.4
97.02963	4.0
107.47543	0.7
113.02431	2.7
146.82155	0.7
152.99538	1.3
212.84152	0.7
217.09909	0.7
220.44385	0.8
255.23322	3.6
276.91055	0.8
279.23349	8.2
281.24887	100.0
313.70358	0.8
423.22522	1.1
453.81500	0.8
566.97882	0.9
613.41272	1.5
625.38873	0.9
678.51007	0.8
685.44366	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.50928	1.0
61.98826	1.6
63.50860	0.9
69.70074	0.9
78.95885	2.1
104.10499	1.0
152.99606	2.5
160.15553	1.1
255.23375	4.4
279.26953	100.0
297.28220	1.5
309.03821	1.2
323.25961	45.1
341.27014	50.9
382.63510	1.5
442.14673	1.2
449.98126	1.1
685.41888	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73622	2.2
57.17017	2.7
57.22540	2.6
59.01374	4.9
61.98830	32.4
63.84400	2.6
67.27045	2.8
78.95892	6.9
84.72896	2.4
85.70905	2.3
89.66436	3.2
89.89227	3.0
90.81653	2.4
92.22790	4.8
92.56160	2.5
93.91273	2.7
97.06576	4.4
101.02435	3.1
125.09714	76.2
152.99580	6.3
187.09816	34.5
229.37573	3.4
238.81873	3.0
255.23222	18.7
263.74680	2.9
279.23276	60.7
310.01895	3.0
347.30643	3.0
441.74173	2.9
522.16870	3.1
685.41870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95741	0.5
57.97562	0.6
59.01385	29.7
67.54829	0.5
78.88076	0.6
78.95882	1.1
80.40413	0.5
92.84389	0.5
97.02950	1.9
130.02795	0.6
148.71892	0.5
152.99568	1.1
227.57715	0.5
255.23334	2.7
281.24890	100.0
369.21625	0.5
379.28925	2.2
398.32263	0.7
625.39410	0.8
685.44360	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68639	3.1
61.98825	6.5
66.33271	2.6
78.95923	2.8
104.60765	4.1
108.77831	3.0
110.18700	3.2
152.99605	17.0
194.27226	2.9
238.18629	3.0
255.23308	100.0
258.89648	2.9
275.06018	13.2
391.18008	4.6
391.22552	42.0
542.48724	3.2
625.38196	3.7
685.23816	3.6
685.42139	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
65.33392	0.4
79.49258	0.5
82.23033	0.6
83.05678	0.5
87.25977	0.5
123.00880	2.4
133.27196	0.5
138.03217	4.3
152.98613	0.6
153.05577	4.3
166.98460	0.6
166.99829	1.1
182.02226	46.3
197.04573	100.0
221.73788	0.5
222.64505	0.5
231.04784	0.5
267.05533	0.6
351.03967	47.2
599.72217	0.7
633.13873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
65.33392	0.4
79.49258	0.5
82.23033	0.6
83.05678	0.5
87.25977	0.5
123.00880	2.4
133.27196	0.5
138.03217	4.3
152.98613	0.6
153.05577	4.3
166.98460	0.6
166.99829	1.1
182.02226	46.3
197.04573	100.0
221.73788	0.5
222.64505	0.5
231.04784	0.5
267.05533	0.6
351.03967	47.2
599.72217	0.7
633.13873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.35754	0.6
67.01863	1.4
67.89500	0.7
69.03459	0.8
71.01361	3.6
74.00664	1.2
92.23094	1.4
93.03448	23.7
111.00851	0.8
111.04494	6.9
113.83722	0.7
117.03424	1.4
121.03108	0.8
134.02718	1.1
134.03741	33.2
134.29799	0.7
137.02417	11.4
149.06062	4.6
155.03526	8.8
163.03966	0.8
172.03879	1.2
173.04552	100.0
178.02762	2.7
188.03529	0.8
191.05589	1.7
193.05075	26.7
244.07185	0.7
262.08759	1.6
286.25964	0.8
288.06702	1.4
290.08258	1.0
306.07675	5.6
318.07742	3.0
351.44443	0.7
367.10422	18.4
388.84866	0.8
431.48962	0.8
492.13028	8.8
686.18842	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
59.65300	1.2
60.99315	1.6
67.01884	6.9
71.01390	2.3
76.14897	1.1
80.16991	1.0
84.25222	0.9
85.02922	2.2
87.00866	11.1
87.03651	0.9
93.03451	54.5
99.00874	1.5
102.68304	1.0
110.28463	0.9
111.04510	6.8
129.01936	1.6
134.03732	5.4
145.02483	1.0
149.06071	1.1
155.03531	2.1
173.04558	26.0
182.02280	1.2
191.05630	100.0
193.05074	9.5
197.04567	7.0
330.07925	1.6
345.60587	1.2
351.03949	1.5
367.10394	17.1
686.18896	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43863	0.8
56.20257	0.8
57.38022	0.8
59.01380	1.6
60.42423	0.8
71.01401	1.0
85.02940	1.3
89.02489	1.0
91.01900	5.6
93.03465	4.2
101.02448	1.1
108.02161	6.0
111.04495	6.0
117.03471	6.5
123.04519	24.0
134.03737	72.8
135.04543	2.4
138.97403	1.0
149.06082	12.7
155.03485	8.4
168.60959	1.1
168.92961	1.0
170.42198	1.3
173.04556	18.9
179.03517	1.8
191.05615	8.3
193.05055	67.9
290.08060	1.4
302.08408	2.2
318.07614	1.7
367.10309	18.2
436.12317	1.3
438.13846	1.9
438.48123	1.2
468.14603	1.3
512.13562	100.0
686.18280	14.3
686.35181	1.5
701.07910	1.2
709.14691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64129	0.2
55.01862	0.2
61.23715	0.2
69.03459	0.4
71.01377	0.2
72.30029	0.2
76.83029	0.2
80.94031	0.2
83.05042	0.4
85.02939	2.0
94.96864	0.2
96.96016	1.2
101.02450	0.2
113.02444	100.0
118.44210	0.2
127.04026	0.3
137.16338	0.2
138.05490	0.3
140.03528	0.2
150.05560	0.3
154.05098	0.3
180.02972	0.2
182.04575	0.3
195.06657	0.2
267.40363	0.2
293.49896	0.2
355.11011	0.2
355.35626	0.2
440.12064	0.4
456.60498	0.2
521.54309	0.2
582.53815	0.2
686.19470	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78426	0.4
52.90366	0.5
54.10548	0.5
59.39364	0.5
72.00899	1.0
72.99302	9.7
85.42140	0.6
99.56489	0.6
101.02454	11.3
123.04485	1.2
135.04543	2.7
144.08170	0.8
147.04541	8.2
149.06065	1.4
151.05106	0.9
161.04306	0.7
163.04027	1.0
164.07175	100.0
179.03496	12.6
181.05063	8.6
182.05453	4.5
197.04578	33.7
206.08296	2.3
236.09302	12.3
278.10419	1.1
326.09052	1.0
326.12531	20.2
343.10327	1.5
344.10715	4.0
359.09906	31.0
392.34891	0.6
401.41940	0.7
464.42056	0.6
599.01849	0.7
686.22418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78491	0.7
61.98832	100.0
66.53044	0.5
87.03880	0.6
121.40759	0.6
132.25224	0.8
132.67555	0.6
134.59929	0.6
144.20004	0.6
163.09099	0.7
262.20630	0.6
477.70511	0.8
547.39667	0.7
623.24255	1.4
718.65009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81694	1.4
56.18332	1.4
59.01377	9.0
61.98828	2.8
66.00048	1.4
71.01374	2.5
74.02467	6.6
81.99757	1.7
86.02508	1.7
89.02440	11.9
99.05643	6.9
101.02457	9.5
113.00534	1.7
113.02428	3.4
113.09707	1.8
119.03474	6.7
124.48889	1.7
127.05138	2.6
128.03549	27.3
142.89015	1.7
143.04610	36.6
145.06209	2.5
146.04616	4.2
150.06947	2.0
157.08669	2.3
160.00740	3.7
179.04660	10.7
206.68102	1.8
207.12129	69.0
210.08876	11.7
230.15556	7.0
236.22556	1.8
248.16776	2.2
249.05362	1.8
251.11154	20.4
254.07855	3.8
272.08829	16.5
273.19894	2.4
301.43738	1.7
358.93759	2.0
413.16626	8.9
506.19522	3.1
524.20715	30.8
524.33258	6.8
590.32758	2.2
633.86725	2.1
683.35315	2.1
686.26392	100.0
686.38580	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66170	0.7
59.01381	100.0
66.06085	0.8
71.01377	4.4
71.71634	0.9
73.02930	1.9
80.75906	0.7
83.01433	0.8
85.02974	1.5
89.02457	1.4
101.02447	5.5
113.02451	1.5
146.17697	1.0
155.47627	0.8
161.04521	1.3
204.23225	1.0
215.68599	1.0
306.07657	1.1
307.17682	18.1
330.35959	1.0
367.10605	1.1
367.19821	4.8
446.40234	1.2
484.21271	1.3
626.26581	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66170	0.7
59.01381	100.0
66.06085	0.8
71.01377	4.4
71.71634	0.9
73.02930	1.9
80.75906	0.7
83.01433	0.8
85.02974	1.5
89.02457	1.4
101.02447	5.5
113.02451	1.5
146.17697	1.0
155.47627	0.8
161.04521	1.3
204.23225	1.0
215.68599	1.0
306.07657	1.1
307.17682	18.1
330.35959	1.0
367.10605	1.1
367.19821	4.8
446.40234	1.2
484.21271	1.3
626.26581	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60908	0.4
59.01383	3.8
61.23116	0.5
61.98833	100.0
62.91496	0.4
78.58641	0.5
90.81554	0.5
104.98335	0.5
113.49982	0.4
169.73596	0.5
193.53531	0.5
279.23404	5.0
280.23706	7.1
281.23965	5.3
282.24423	1.9
309.00623	0.5
522.07446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
60.01744	0.5
61.98834	100.0
84.91360	0.6
152.99554	1.0
181.98802	0.6
197.91481	0.6
219.72208	0.6
238.66553	0.6
255.23291	2.5
256.23654	0.8
279.23196	2.6
280.23624	3.5
281.24026	2.5
295.73776	0.6
338.82498	0.7
575.01996	0.7
655.08655	0.6
686.45215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.7
74.75508	0.3
99.00873	0.5
99.92578	3.8
116.92851	100.0
117.01930	3.7
198.88307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50465	0.4
57.65579	0.4
70.58192	0.5
73.02939	0.7
75.15382	0.5
78.95895	2.0
99.92583	2.8
103.84238	0.5
110.98534	0.5
116.92851	100.0
117.01939	3.5
147.00047	0.5
255.23271	2.7
256.23688	2.1
273.03220	0.6
274.75186	0.6
279.23294	4.4
280.23456	3.8
301.57956	0.5
305.08762	0.5
461.30905	0.6
648.10535	0.6
686.48523	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75736	0.3
51.06964	0.3
58.43840	0.3
72.99305	0.9
80.11334	0.3
93.03406	0.5
121.02886	0.8
135.04517	0.7
163.03993	1.9
165.01924	100.0
179.03418	1.7
181.05072	9.2
181.21268	0.4
197.04550	3.7
219.60806	0.4
288.62375	0.4
327.07233	40.6
343.10382	6.8
359.09830	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92623	1.1
59.01370	1.7
69.00992	1.3
71.01344	1.7
86.08661	1.2
92.22516	1.5
93.03424	2.2
94.26669	1.2
108.02151	15.9
109.02938	34.5
119.03529	1.2
123.04493	5.4
133.02933	5.3
134.03720	4.6
135.04446	6.0
149.06001	2.0
150.03230	15.7
151.03949	4.9
152.01147	60.0
153.01932	52.0
153.05540	2.4
160.01608	8.0
161.02434	19.5
165.05569	19.4
167.03389	2.9
173.04601	9.2
175.03992	43.5
179.03473	2.5
180.04367	1.7
181.01437	1.9
193.05104	10.4
235.05861	1.3
281.06616	1.6
315.07260	5.2
337.09436	2.1
406.96866	1.6
491.15628	18.0
533.15710	1.5
545.80499	1.5
639.20575	2.3
687.19348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69593	0.3
72.99299	2.1
82.82256	0.3
83.40968	0.3
89.85938	0.3
93.03454	1.6
108.51861	0.3
115.05295	0.3
119.05027	3.5
135.04514	4.6
163.04016	14.9
181.05081	100.0
182.05406	0.4
223.06033	0.4
343.10376	63.1
345.11002	0.4
427.75830	0.3
452.83698	0.3
457.04739	0.4
562.59094	0.4
621.38483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69593	0.3
72.99299	2.1
82.82256	0.3
83.40968	0.3
89.85938	0.3
93.03454	1.6
108.51861	0.3
115.05295	0.3
119.05027	3.5
135.04514	4.6
163.04016	14.9
181.05081	100.0
182.05406	0.4
223.06033	0.4
343.10376	63.1
345.11002	0.4
427.75830	0.3
452.83698	0.3
457.04739	0.4
562.59094	0.4
621.38483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89295	0.4
59.01381	6.2
60.62160	0.5
62.65781	0.4
71.01381	1.7
78.50065	0.4
85.02925	0.9
89.02435	0.7
93.03468	0.7
101.02434	1.7
109.20066	0.5
111.04513	1.8
113.02447	0.6
119.05021	30.0
145.12401	0.4
153.18968	0.4
155.03513	2.8
157.49800	0.4
161.04520	0.6
163.04013	100.0
173.04500	3.9
191.05643	9.0
193.05013	1.9
195.38893	0.4
263.11517	1.9
265.11954	1.9
291.08755	0.8
305.12500	3.4
312.49042	0.6
337.09323	44.8
427.17538	0.6
463.50348	0.5
494.50894	0.4
499.19739	0.6
571.21136	0.5
615.83978	0.5
630.36914	0.5
688.46515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
59.97021	1.0
60.60429	0.9
65.43185	1.0
65.68348	1.0
70.92156	1.1
71.01370	5.2
73.02969	1.0
85.02911	1.6
89.02434	6.4
93.03454	1.2
93.07182	1.2
101.02446	6.0
113.02428	5.6
119.03537	1.0
123.04514	11.3
131.14326	1.1
132.02101	1.1
133.02992	10.6
134.03745	12.2
135.04541	24.7
136.72839	1.1
137.02452	6.8
147.04521	1.3
149.06088	7.6
150.03206	17.8
151.03986	2.5
153.05553	9.5
159.04539	1.7
160.01662	25.9
161.02449	65.8
165.05562	27.7
175.04010	100.0
176.04774	1.3
177.05623	1.1
178.02718	1.3
179.03470	9.1
179.07117	1.2
180.04346	1.6
191.07217	2.6
193.05103	15.4
195.06676	1.9
205.05063	1.9
207.06679	1.4
221.04515	1.5
235.06134	7.5
281.06799	2.7
297.09909	1.5
315.10907	5.4
341.10269	2.2
489.14499	2.2
491.15665	79.4
533.16852	2.0
545.16846	12.1
639.21307	14.0
651.21191	1.8
669.22131	1.5
687.23077	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52637	1.1
56.87983	1.0
57.78353	1.2
59.01377	9.1
60.46932	1.1
71.01374	6.7
89.02428	8.9
93.03420	1.3
95.01408	1.4
101.02426	2.7
111.95280	1.3
113.02461	3.0
119.03448	2.9
121.03060	1.3
122.36583	1.5
123.04498	2.7
132.02156	2.0
133.02922	5.5
134.03745	9.0
135.04555	17.7
137.02351	1.4
147.48311	1.2
149.02492	1.9
149.06068	7.1
150.03226	21.3
151.03993	1.7
152.01138	1.9
153.05576	8.2
153.79137	1.2
155.91995	1.2
160.01663	21.7
161.02432	50.3
163.04024	2.1
165.05563	32.8
175.04005	91.8
178.02716	2.1
179.03458	11.4
180.04369	2.3
191.05565	6.9
191.07140	2.7
193.05017	11.7
195.06625	2.9
207.06618	1.6
221.04611	2.2
222.08900	1.5
235.06177	6.7
253.50801	1.3
282.08829	2.0
295.08533	1.8
310.16278	1.4
315.10886	2.7
426.25183	1.4
491.15622	100.0
545.16510	5.4
639.21075	19.6
669.21844	2.2
687.22925	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89216	1.1
59.01379	59.5
59.01685	1.9
71.01377	38.6
72.99302	2.2
73.02946	4.3
79.60713	1.0
81.20827	1.0
85.02946	2.9
89.02438	87.1
95.01376	1.5
95.59288	1.1
97.02942	12.6
99.00871	22.8
101.02436	27.9
113.02448	29.6
115.03990	4.9
119.03488	21.6
131.03505	7.9
149.04558	20.3
160.04019	6.5
161.04573	6.1
179.03528	1.7
179.05589	2.2
191.05605	7.4
197.04573	5.7
233.06651	8.5
247.08186	5.5
277.09302	100.0
293.08807	21.9
311.09814	14.8
335.90530	1.3
359.09891	5.1
409.13431	4.6
430.90384	1.3
486.84177	1.3
514.00647	1.4
553.17651	1.3
563.90283	1.3
687.23914	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67251	0.5
53.50297	0.6
53.86873	0.5
59.01367	3.3
71.01382	2.9
75.08065	0.6
83.26821	0.6
87.40123	0.7
88.42902	0.6
89.02431	3.2
93.02819	0.7
101.02473	1.4
113.02464	1.0
116.26685	0.6
117.03465	1.5
119.05025	4.0
142.95366	0.6
145.02951	100.0
146.83835	0.6
161.06105	1.1
163.04018	18.1
189.05583	31.7
191.05630	3.2
205.05080	1.2
217.08615	0.9
235.05994	0.9
265.07330	0.8
294.68356	0.7
409.15085	63.0
507.18588	13.9
525.19641	1.2
544.16724	0.7
549.78522	0.7
567.21143	3.3
627.23450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52604	0.8
59.01385	34.7
62.85257	0.8
64.11186	0.9
71.01378	18.3
72.48817	0.9
72.99299	0.9
73.02935	1.3
78.67589	0.9
83.01387	1.5
85.02943	5.4
87.04523	4.2
89.02438	18.8
99.04469	1.1
101.02412	10.0
111.04480	1.6
113.02468	22.4
117.15917	1.0
119.03481	5.4
137.06081	35.5
145.02995	1.5
161.04443	1.3
163.04065	2.1
163.11258	2.2
164.74243	0.9
165.05617	2.0
175.04036	1.2
181.12373	9.4
198.16850	0.9
207.10269	2.1
213.79004	1.2
219.13947	1.0
225.11325	16.6
231.10291	4.0
249.11324	4.4
263.12827	4.0
291.12463	3.8
309.13486	1.7
327.27057	1.0
363.91217	1.1
376.92902	1.1
447.57541	1.0
497.43076	0.9
507.22394	24.9
616.68274	1.1
678.89667	1.0
687.28766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34595	0.6
57.15615	0.7
59.01111	1.4
59.01383	33.3
59.04618	0.6
66.39844	0.7
71.01379	18.6
73.02917	1.3
79.95786	0.6
83.01378	0.8
83.82043	0.8
83.98508	0.8
85.02944	5.4
87.00849	0.9
89.02436	20.4
95.01370	1.0
95.05045	0.9
101.02438	12.7
110.61163	0.7
113.02410	7.6
119.03512	7.1
119.05021	9.6
137.06067	1.3
150.03125	0.7
163.11307	5.8
165.05539	0.9
173.04503	1.2
181.12338	35.4
195.13925	7.1
207.10283	1.7
223.13271	1.2
225.11322	14.5
267.12442	1.1
301.75079	0.8
308.30859	0.9
326.06772	0.8
336.45865	0.8
343.21179	1.4
455.04605	0.9
456.49649	0.9
499.84628	1.0
507.22461	37.9
667.24603	0.9
687.28723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70740	1.4
56.83171	1.8
59.01387	9.0
61.94732	1.9
71.01382	8.8
73.02961	4.1
79.95733	2.5
82.47987	2.1
85.02941	3.8
87.82031	2.0
94.98077	51.4
97.02943	2.3
98.77016	2.4
101.02422	13.0
109.02921	2.3
110.21120	2.1
111.04503	4.0
111.09675	2.5
113.02472	3.8
113.06085	2.8
123.08099	3.3
125.06088	16.5
138.06866	4.8
139.07674	21.8
150.06834	4.0
151.07648	46.4
152.04782	4.6
152.08456	18.9
153.09169	19.5
161.04535	5.1
161.09689	2.7
163.07663	3.3
179.10852	8.3
201.12775	19.4
204.11581	34.2
212.09764	2.3
219.13927	58.3
263.12875	100.0
291.17978	3.3
333.51804	2.1
423.22446	59.2
431.21924	2.3
471.08029	2.5
478.33228	4.3
479.33899	8.3
506.31998	2.6
524.33704	14.2
525.34387	24.8
687.39642	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.1
61.14326	2.6
61.98839	2.9
62.95687	3.3
71.01382	43.2
73.02927	4.9
78.95931	3.1
79.19205	2.8
82.88897	2.7
85.02956	13.9
89.02442	18.0
99.16775	2.8
101.02439	43.4
113.02438	18.5
119.03447	5.5
131.07788	3.0
146.62427	2.8
161.04570	7.0
180.84793	2.8
194.96701	3.0
217.39346	2.9
267.03180	2.9
579.48486	3.8
589.33038	4.2
627.33960	100.0
687.36017	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3968
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
55.67904	0.8
59.01374	3.2
68.58852	0.7
71.01410	0.7
71.79220	0.6
78.28305	0.8
87.36398	0.8
94.98083	1.4
113.53738	0.8
120.90147	0.7
150.06868	26.7
151.07660	1.0
163.07703	0.7
164.08446	1.5
177.09219	0.8
179.10785	31.3
191.05583	1.2
217.99969	0.8
250.28940	0.7
251.68718	0.9
297.36475	0.8
299.91006	0.7
303.46680	0.8
343.24863	1.4
345.22781	9.2
464.31610	7.6
477.32510	0.8
478.33218	1.1
479.33939	19.7
487.41052	0.9
506.32556	3.4
507.33533	5.6
524.33673	6.7
525.34418	53.8
560.99030	0.9
657.07697	0.9
687.39697	100.0
695.07233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03286	0.7
65.05942	0.7
66.96471	0.7
72.99283	0.9
85.02950	0.9
92.22585	1.1
144.52313	1.0
150.06862	16.2
179.10765	17.7
193.05066	1.7
197.04555	2.0
201.11322	1.2
205.44218	0.9
261.09030	1.1
274.21127	0.9
343.24902	3.5
345.22818	7.0
350.20993	1.1
462.33273	1.1
464.31302	3.5
476.38940	1.0
478.32965	4.1
479.33896	13.3
506.32581	10.4
507.33313	4.8
524.33606	20.7
525.34338	45.5
598.97266	1.2
687.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4332
Annotation	CHEBI:67332
Peak:m/z	Relative Intensity
59.01384	9.1
61.98828	7.0
71.01367	2.0
78.95927	0.8
80.77773	0.7
89.02426	5.3
95.91541	0.7
97.06576	5.2
99.59245	1.0
101.02431	3.3
113.02490	1.3
119.04996	1.0
123.08154	1.4
125.09711	81.1
133.83876	0.8
137.44429	0.8
143.10767	1.2
152.99583	1.6
161.04622	1.0
163.03961	1.0
169.08693	3.7
187.09766	90.6
253.09274	1.5
255.23204	3.6
281.24872	27.6
344.44788	0.9
357.31454	0.8
405.17551	1.1
423.18802	4.2
526.67572	1.0
687.43353	100.0
701.98602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92828	0.5
61.98827	0.8
70.91253	0.5
78.95895	4.5
99.78030	0.5
105.01922	1.1
140.77650	0.5
152.99570	4.7
155.01213	0.5
171.10367	0.5
211.16025	0.5
211.76123	0.5
252.02321	0.7
255.23322	100.0
295.22855	1.3
298.76572	0.5
308.60056	0.5
343.24930	25.1
367.06732	0.6
369.45685	0.7
391.22693	0.7
687.46136	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.40388	0.6
61.98826	4.9
72.99306	22.5
75.00870	24.4
95.71217	0.7
255.23381	3.9
260.95477	0.7
281.24902	1.3
329.96957	0.8
343.28577	100.0
687.45947	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17569	1.2
88.04040	1.5
93.03471	2.6
102.69241	1.0
109.26072	1.0
111.10033	1.0
151.97003	1.6
155.08229	4.5
155.19165	1.1
157.09795	2.1
161.04820	10.3
173.04556	16.4
176.07205	2.2
177.85690	1.4
211.95380	4.5
221.02747	2.0
254.99722	1.5
263.00162	100.0
265.01685	7.3
266.99677	2.2
290.99542	1.6
294.99246	1.9
309.00891	2.7
325.00250	1.6
334.98550	8.9
352.99710	93.6
367.01157	1.5
470.16135	6.1
514.15167	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17569	1.2
88.04040	1.5
93.03471	2.6
102.69241	1.0
109.26072	1.0
111.10033	1.0
151.97003	1.6
155.08229	4.5
155.19165	1.1
157.09795	2.1
161.04820	10.3
173.04556	16.4
176.07205	2.2
177.85690	1.4
211.95380	4.5
221.02747	2.0
254.99722	1.5
263.00162	100.0
265.01685	7.3
266.99677	2.2
290.99542	1.6
294.99246	1.9
309.00891	2.7
325.00250	1.6
334.98550	8.9
352.99710	93.6
367.01157	1.5
470.16135	6.1
514.15167	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59800	2.4
93.17079	2.4
126.47422	2.3
134.03801	3.5
149.06212	2.8
160.04031	14.8
161.04810	100.0
173.04539	5.4
175.06274	3.1
176.07182	62.8
191.05522	4.2
250.06462	3.2
278.05704	3.8
293.08298	13.6
297.42361	2.9
301.07410	3.6
305.06888	5.1
332.09229	12.5
382.26178	2.8
470.16254	61.3
499.66907	3.0
514.15198	85.9
587.47339	3.1
688.20605	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30415	0.2
54.54837	0.2
72.90395	0.3
79.44193	0.3
85.02920	0.3
93.03442	0.6
94.91419	0.3
134.03772	0.4
135.04532	7.7
136.05331	0.3
161.02461	2.6
173.04604	0.6
179.03508	12.7
191.05634	100.0
285.50299	0.3
353.08832	34.0
450.19046	0.3
537.20642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92382	1.9
64.07491	1.8
75.68079	2.3
87.00836	2.6
93.03446	9.0
111.04490	4.5
134.03770	2.7
160.04018	15.1
161.04816	100.0
162.05676	3.9
173.04500	15.4
176.07170	54.5
191.05621	80.7
278.05927	5.2
293.08298	5.1
305.06912	2.9
316.09714	5.5
332.09344	10.5
440.11185	3.7
454.12567	3.1
470.16177	52.6
514.15106	69.3
603.80212	2.6
688.20520	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49599	0.4
51.99158	0.4
53.38514	0.4
53.73309	0.5
59.01372	0.7
60.99306	0.8
67.01881	3.3
68.54050	0.5
71.01358	0.9
79.36149	0.5
81.03445	0.6
85.02924	2.6
87.00868	6.9
93.02519	0.8
93.03448	29.0
108.02196	0.9
109.02955	1.0
111.04501	5.6
115.03982	0.8
123.04498	0.9
127.03962	0.6
129.01987	0.6
133.01700	0.6
134.03737	13.7
147.03224	1.1
149.06065	17.3
155.03491	3.3
160.04031	9.2
161.04817	100.0
162.05605	5.0
167.33199	0.6
173.04536	25.1
174.05614	0.7
175.06371	1.9
176.07164	66.0
179.25983	0.6
187.09698	0.6
191.05623	94.8
193.05081	3.7
222.92244	0.5
250.06493	3.8
265.08563	0.8
277.07477	2.3
278.05811	7.6
279.06711	2.0
291.08990	0.9
292.09744	2.5
293.08176	9.6
301.07373	2.7
302.08142	0.8
304.06528	0.5
305.06958	2.2
306.11172	1.0
307.42224	0.6
316.09830	6.5
318.07727	1.1
319.08347	0.7
320.09286	3.3
331.08450	1.0
332.09222	5.4
333.09988	0.9
334.10745	0.9
346.10757	2.3
348.85898	0.7
367.10410	9.0
426.13354	1.1
437.13065	0.6
440.11252	0.8
452.15106	0.6
454.13202	6.1
455.13901	1.2
470.16119	22.9
514.15112	80.9
631.13501	0.6
688.20416	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22109	0.4
59.01374	0.8
67.01881	0.8
71.01376	1.3
73.59021	0.4
87.00881	0.8
92.52379	0.6
93.03449	12.0
98.78490	0.5
111.00873	0.6
111.04538	3.9
119.45918	0.5
125.69517	0.5
126.53786	0.6
127.03918	0.5
131.33429	0.5
134.03728	1.1
135.04526	33.6
137.02455	5.6
144.62360	0.6
152.41048	0.5
155.03490	4.5
161.02443	2.7
161.04860	5.1
173.04552	100.0
176.07182	3.9
178.02699	0.9
179.03511	67.2
185.24817	0.6
190.58746	0.5
191.05638	52.8
278.12747	0.7
352.07935	0.9
353.08823	91.3
470.16064	1.2
514.14709	2.3
688.20477	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76168	0.4
79.82809	0.4
118.33404	0.4
120.99656	13.8
140.75124	0.4
146.71039	0.4
150.48555	0.4
155.84117	0.4
199.41275	0.5
272.16547	0.5
306.15381	100.0
333.46039	0.5
367.53345	0.4
394.16971	29.7
473.35236	0.5
688.30084	17.1
688.40051	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.98830	100.0
63.46401	0.7
78.95905	0.8
83.64968	0.8
116.92860	6.1
152.99588	1.9
255.23306	1.7
256.23651	1.3
272.48578	0.9
281.25217	0.9
282.25317	1.6
334.10257	0.8
367.64087	0.8
564.63696	0.8
688.46594	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24311	0.8
59.01388	1.3
64.82133	0.9
71.01379	1.1
83.22062	0.8
93.03442	8.5
99.59053	0.9
111.04510	4.8
127.03976	8.0
135.04512	35.8
137.02437	5.3
145.02956	1.2
148.50970	0.9
155.03510	8.9
161.02448	6.6
163.03957	0.9
173.04550	100.0
179.03510	78.7
191.05632	45.5
199.02554	1.9
211.07545	1.1
271.80789	1.0
335.07919	6.8
353.08817	95.7
401.88651	1.0
649.35999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72281	0.8
52.91715	0.8
59.01389	1.4
59.50116	1.0
67.01891	0.9
71.01366	1.3
79.29224	0.8
85.02937	1.4
93.03445	11.4
111.04500	5.4
115.03996	1.7
116.92841	1.2
135.04524	47.9
135.05515	2.2
137.02425	6.5
146.86285	1.2
149.06000	1.0
155.03511	8.1
161.02443	4.7
173.04547	99.7
179.03497	86.4
191.05632	60.0
324.85895	1.1
335.07626	10.4
353.08817	100.0
614.03271	1.1
689.22797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96400	0.9
59.01389	2.3
63.83627	1.1
64.24988	1.1
64.61439	0.9
67.62392	1.0
69.57385	1.3
71.01383	5.0
72.99304	31.9
73.02941	1.8
78.87611	1.0
89.02441	2.7
97.63333	1.1
101.02404	2.0
119.03522	1.9
122.03741	28.8
123.04536	15.5
125.71933	1.1
133.01459	1.3
135.04538	9.0
149.89763	1.0
161.04523	6.9
163.77858	0.9
165.05460	3.5
167.03499	18.6
179.03508	36.0
182.02255	1.1
197.04573	100.0
279.10910	2.6
329.08826	36.1
359.09891	73.5
471.74826	1.3
491.13831	1.3
655.94989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69471	0.4
57.14703	0.6
63.00615	0.5
66.16759	0.5
71.01373	1.0
72.98891	1.1
72.99300	33.0
80.25980	0.5
92.22449	0.6
117.78414	0.5
123.04519	8.1
135.04520	9.5
141.03500	0.5
149.54445	0.5
151.04028	0.9
152.01144	0.7
167.03484	3.3
179.03496	38.7
197.04559	100.0
227.75215	0.6
329.08768	3.5
359.09863	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87815	0.5
64.00740	0.5
71.73624	0.7
72.99306	30.5
122.03724	1.6
123.04506	9.1
135.04521	7.8
153.05649	0.9
164.02351	0.6
165.45692	0.6
167.03525	5.6
179.03502	34.0
181.05075	8.7
182.05450	4.1
183.05612	1.1
197.04572	100.0
267.70688	0.6
329.08780	2.7
343.10373	4.3
344.10709	3.2
345.11041	2.7
359.09888	70.7
386.77930	0.7
394.45862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55441	0.2
59.01387	0.2
61.24675	0.2
65.65667	0.2
70.18388	0.2
71.01383	1.7
73.02947	1.3
83.54399	0.2
85.02949	1.1
93.52408	0.2
95.01363	0.3
99.00858	0.3
101.02442	0.4
108.02165	22.9
109.02950	16.5
113.02437	1.0
119.26571	0.2
121.02923	0.5
123.04515	1.0
129.16646	0.2
151.04048	2.1
152.01157	54.7
152.68463	0.2
153.01939	35.5
161.04495	0.4
163.04005	1.5
165.01945	2.5
195.02983	0.3
225.04114	0.4
270.74585	0.3
315.07266	100.0
380.64139	0.3
520.86841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32613	0.7
60.34112	0.5
62.14557	0.6
72.99305	30.4
81.41142	0.6
86.10278	0.7
90.00153	0.6
94.01224	0.6
100.07327	0.6
122.03735	1.2
123.04489	8.1
135.04515	9.9
142.40924	0.6
164.25226	0.8
171.92281	0.7
179.03506	38.0
181.05119	0.7
186.66710	0.7
196.78981	0.7
197.04564	100.0
199.17783	0.7
324.41617	0.7
329.08856	1.3
331.89456	0.8
345.11154	1.0
359.09888	81.0
601.98120	0.7
622.47491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14960	0.9
52.26366	0.8
52.72197	0.8
59.01393	1.5
72.99302	16.2
81.03445	1.1
83.05016	19.8
93.03458	1.7
94.02965	1.0
111.04510	20.8
115.03993	9.6
124.04049	7.0
127.04008	67.3
129.05597	4.6
137.02409	1.5
145.02948	2.4
155.03508	56.9
163.03925	1.1
171.02983	4.0
173.04594	1.2
189.04083	3.9
193.05017	1.4
199.02498	34.0
202.65038	1.1
210.07712	2.2
217.03543	100.0
247.09705	1.4
282.58401	1.0
285.63919	1.1
410.15781	1.1
411.15845	1.4
429.12225	1.3
489.14325	1.4
671.18658	1.7
689.19403	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98169	0.5
51.86459	0.5
53.14677	0.6
59.99530	0.7
72.99306	28.7
122.03719	1.5
123.04494	16.5
127.27974	0.7
135.04544	7.8
149.95602	0.7
151.03951	0.9
153.05573	0.8
167.03525	3.0
179.03506	37.8
181.05034	3.9
182.05432	0.8
193.05049	0.8
197.04559	100.0
281.16156	0.7
285.09726	0.8
329.08795	4.0
343.10605	1.5
359.09894	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89914	0.4
59.01387	5.5
66.49447	0.4
67.41228	0.4
68.80924	0.4
71.01372	4.4
72.83100	0.4
72.99299	5.9
73.02925	1.1
74.02020	0.4
78.78197	0.4
85.02937	2.3
85.89469	0.5
89.02450	1.0
101.02432	3.8
108.02166	6.6
111.49615	0.4
113.02451	2.7
119.03640	0.5
121.02947	1.8
121.31334	0.5
122.03728	24.2
123.04509	17.0
135.04546	0.9
140.34474	0.4
152.01143	15.6
153.05585	0.6
161.04562	2.5
165.05565	2.9
167.03497	100.0
179.03520	5.0
197.04565	18.2
241.32851	0.4
294.21878	0.5
329.08817	33.6
343.46616	0.5
359.09879	23.9
473.57190	0.5
556.05835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25946	0.5
59.01387	3.5
59.31423	0.5
62.79246	0.6
63.72710	0.5
64.25972	0.5
71.01366	1.1
72.99302	5.8
74.33945	0.5
75.29912	0.5
84.01608	0.7
89.02436	2.7
96.96011	3.0
96.96952	0.8
100.39295	0.7
101.02448	1.0
108.02164	0.7
113.02418	0.8
115.00348	0.9
120.47655	0.6
123.04502	6.9
123.30571	0.6
133.01453	2.6
134.03720	3.4
137.06107	0.8
149.06094	4.6
150.03224	2.5
153.05603	7.3
165.05545	8.8
178.02701	8.8
179.03517	2.7
192.04552	0.6
193.05063	41.7
197.04578	7.3
211.06131	100.0
315.10834	2.6
329.08704	0.6
359.09821	2.3
373.11423	85.7
423.33951	0.7
467.61911	0.7
689.20142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25946	0.5
59.01387	3.5
59.31423	0.5
62.79246	0.6
63.72710	0.5
64.25972	0.5
71.01366	1.1
72.99302	5.8
74.33945	0.5
75.29912	0.5
84.01608	0.7
89.02436	2.7
96.96011	3.0
96.96952	0.8
100.39295	0.7
101.02448	1.0
108.02164	0.7
113.02418	0.8
115.00348	0.9
120.47655	0.6
123.04502	6.9
123.30571	0.6
133.01453	2.6
134.03720	3.4
137.06107	0.8
149.06094	4.6
150.03224	2.5
153.05603	7.3
165.05545	8.8
178.02701	8.8
179.03517	2.7
192.04552	0.6
193.05063	41.7
197.04578	7.3
211.06131	100.0
315.10834	2.6
329.08704	0.6
359.09821	2.3
373.11423	85.7
423.33951	0.7
467.61911	0.7
689.20142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10371	1.3
59.01369	2.5
61.98846	2.0
88.98790	2.1
96.95984	6.6
106.21648	1.4
108.78883	1.3
109.02948	2.6
119.71684	1.5
123.04485	1.5
135.04510	1.8
137.02324	1.4
149.02434	22.7
151.03943	7.9
152.01169	15.2
153.01942	2.4
163.03961	6.2
164.04796	49.2
165.01898	13.6
166.02710	22.6
169.05080	2.3
179.03429	7.6
179.07162	20.4
180.04279	21.1
181.05057	34.0
185.66489	1.7
193.01433	12.4
193.04839	1.7
195.06577	19.9
207.02956	2.9
208.03777	99.7
210.05257	6.0
211.06197	14.1
222.05280	11.5
223.06123	85.1
225.07616	3.0
237.07651	10.9
244.90114	1.7
327.08820	1.9
342.11185	2.4
389.58694	1.4
401.62186	1.8
449.14545	3.0
451.15967	1.9
457.67789	1.7
497.27390	1.8
595.11670	1.8
689.24432	100.0
689.36719	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52881	0.9
59.01388	1.5
61.51853	0.8
64.33995	1.0
66.98246	1.2
71.01366	1.7
79.59359	1.0
89.02454	2.7
97.39071	1.2
101.02458	1.7
113.02470	1.6
116.90157	1.5
121.02941	1.4
129.26662	1.2
149.02466	12.2
151.07181	1.8
152.01161	4.6
164.04808	27.9
165.01880	15.5
169.05171	1.5
175.42371	1.2
179.03496	6.4
179.07239	8.7
179.08620	1.2
179.10664	1.6
180.04308	30.4
191.05574	2.5
193.01454	5.6
194.05878	1.7
195.06627	44.9
207.06770	1.3
208.03790	55.7
210.05363	8.5
211.93948	1.1
223.06137	100.0
224.41396	1.2
225.07726	16.6
272.63715	1.2
280.22552	1.1
327.08850	4.2
401.12497	1.3
449.14664	18.5
527.35370	2.5
548.54980	1.4
689.24463	24.4
689.40930	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
64.03563	2.4
71.01379	15.7
73.02937	4.1
85.02942	3.5
85.21985	2.8
87.00888	3.0
89.02426	20.7
90.83499	2.7
92.75752	2.5
101.02461	24.0
113.02425	15.5
119.03516	9.3
120.01255	52.3
121.01591	3.7
123.04513	48.5
132.25101	2.7
135.04529	60.8
145.02899	3.3
149.02399	2.7
149.06053	2.9
150.03220	18.0
153.05568	73.6
161.02431	11.4
163.20792	2.9
164.04773	15.6
165.05577	25.9
177.05565	3.2
179.07156	5.9
181.05095	3.4
195.06615	25.0
203.72647	2.9
205.05090	4.6
209.08145	3.8
223.06039	5.9
233.92520	2.6
237.07710	11.2
296.92343	2.7
297.09814	4.5
311.09311	9.8
315.10870	17.2
325.10803	3.0
343.11856	39.5
391.14011	3.5
433.14859	4.1
535.18439	22.3
547.18292	10.3
641.22278	20.4
653.22351	4.3
671.23383	29.8
689.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	51.9
64.22073	0.8
71.01379	37.4
73.02940	4.4
76.44035	0.8
81.48931	1.0
85.02945	5.4
89.02444	100.0
95.01402	2.1
99.00884	43.5
101.02439	24.7
113.02449	31.8
119.03487	15.9
131.03528	10.8
143.03484	1.4
147.03416	1.1
149.04567	34.1
161.04597	7.4
179.05663	2.0
184.60495	1.0
191.05640	13.9
233.06706	19.5
247.08183	1.5
263.26782	1.1
277.09427	3.7
279.10895	49.9
293.08817	33.8
311.09894	22.0
385.57013	1.0
405.12448	1.0
454.97043	1.1
455.20523	1.0
689.23627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85548	0.6
52.52000	0.6
53.76715	0.6
56.10325	0.6
59.01382	18.6
71.01377	9.0
89.02438	14.7
101.02415	8.9
102.27620	0.8
107.69228	0.7
113.02454	7.1
114.99429	0.8
119.03484	5.9
120.99660	1.5
147.04523	78.9
165.05540	12.6
173.04491	1.1
182.36209	0.7
327.10901	100.0
354.09048	0.9
524.01947	0.8
567.95715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93721	0.5
59.01363	0.6
60.99312	0.9
62.48793	0.4
67.01884	1.1
68.72075	0.5
69.46442	0.4
71.01367	1.2
73.58251	0.4
82.71320	0.5
85.02982	0.8
87.00894	5.1
93.03455	23.3
94.51125	0.5
111.04514	5.4
128.20984	0.5
129.01932	1.1
134.03706	3.6
155.03471	1.0
173.04541	12.6
175.03958	0.9
191.05630	100.0
193.05066	7.9
231.52376	0.6
237.01945	0.6
248.07440	0.6
346.69659	0.5
356.59387	0.6
367.10385	59.8
601.38843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85548	0.6
52.52000	0.6
53.76715	0.6
56.10325	0.6
59.01382	18.6
71.01377	9.0
89.02438	14.7
101.02415	8.9
102.27620	0.8
107.69228	0.7
113.02454	7.1
114.99429	0.8
119.03484	5.9
120.99660	1.5
147.04523	78.9
165.05540	12.6
173.04491	1.1
182.36209	0.7
327.10901	100.0
354.09048	0.9
524.01947	0.8
567.95715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92874	0.2
54.08641	0.2
54.20458	0.2
59.01369	0.5
59.18575	0.2
64.61331	0.2
71.10980	0.3
73.36387	0.2
84.10111	0.3
85.95118	0.2
87.00891	0.3
92.23082	0.3
99.08150	21.0
118.99458	0.2
127.07760	0.3
135.77150	0.3
141.24617	0.3
143.07159	0.3
145.08707	100.0
176.63327	0.3
225.11269	0.5
229.19298	0.3
243.13138	0.3
250.49115	0.3
284.42535	0.3
437.04752	0.4
590.37000	0.3
598.76038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59895	1.7
59.01380	33.1
71.01380	18.6
71.04987	7.2
85.02940	2.3
87.00859	2.3
89.02446	21.4
95.59759	2.2
97.06598	2.1
101.02455	15.9
103.04642	1.9
113.02457	3.3
119.03490	3.5
121.10192	3.0
125.02474	3.2
134.95618	2.5
161.04575	3.0
185.11906	4.2
235.08304	2.3
252.48776	2.4
291.19684	100.0
330.66592	2.1
397.13568	48.6
412.67093	2.7
415.14658	24.8
629.35107	2.3
689.33698	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06912	0.7
51.91627	0.7
59.01379	21.9
69.44909	0.9
69.52118	0.8
71.01376	11.4
73.02937	1.2
74.39477	0.8
81.08915	0.9
85.02944	3.7
87.00866	1.7
88.90245	0.9
89.02434	18.0
92.22532	1.2
97.02921	1.8
101.02441	15.4
105.71644	1.0
111.00871	1.0
113.02435	9.4
113.14308	0.9
119.03458	4.2
121.10220	10.6
125.02402	2.3
125.09715	5.9
141.12849	1.1
143.03465	1.9
153.14774	0.9
175.21097	1.1
179.05588	1.6
185.11815	18.9
197.11824	7.6
209.11848	2.0
211.13356	1.7
213.29260	1.0
223.13443	1.1
235.08211	2.1
273.18732	1.2
291.19705	100.0
397.13528	37.9
415.14603	14.5
689.33966	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20968	1.0
51.97959	1.1
59.15181	1.1
65.40469	1.1
67.12496	1.2
67.26516	1.2
67.43242	1.1
78.95900	54.0
82.86844	1.4
96.96934	10.2
122.28648	1.3
127.35926	1.4
151.05156	2.8
152.99585	100.0
171.00627	2.0
256.12173	1.5
279.23291	47.9
407.47028	1.5
409.10135	9.6
444.71008	1.7
599.64581	1.6
689.34265	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63172	1.3
53.82483	1.4
58.41755	1.3
59.01380	16.1
63.65874	1.2
66.40096	1.2
71.01377	26.5
72.01580	1.2
73.02946	9.6
73.38555	1.3
73.84088	1.4
78.95884	1.6
83.01385	2.9
85.02958	14.7
87.00892	1.6
89.02450	10.5
99.00853	3.0
101.02443	33.2
106.98046	1.3
113.02455	15.0
117.85742	1.6
125.02424	1.5
127.03941	1.9
135.04482	1.6
139.54922	1.4
143.03537	1.9
159.02989	2.4
161.04552	10.3
162.86832	1.4
173.78809	1.8
183.13893	1.9
251.16335	1.8
282.97495	1.6
329.23419	2.3
502.86179	1.7
583.09308	2.0
624.74994	1.5
629.35547	100.0
689.37732	7.3
711.83252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.4
71.01379	25.3
73.02946	11.5
83.01398	5.1
85.02934	12.2
87.00860	1.6
89.02442	10.1
96.95971	1.4
99.00885	2.7
101.02445	28.6
112.93224	1.2
113.02447	18.9
118.14117	1.2
119.03542	1.7
127.04095	1.6
132.87482	1.3
143.03513	2.5
161.04585	8.8
191.64893	1.3
629.35510	100.0
689.34558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78951	0.5
61.51266	0.4
61.98830	0.5
63.25711	0.4
65.10613	0.5
78.95905	100.0
96.96958	4.6
125.09720	0.5
132.67194	0.5
152.99593	16.4
177.83618	0.5
185.69826	0.6
211.59453	0.5
253.18137	11.2
255.23322	33.5
279.15778	0.7
297.16904	0.7
391.22336	0.7
420.81418	0.6
689.40417	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66038	1.5
59.01388	3.2
61.53145	1.7
61.98819	2.0
65.69193	1.7
90.43060	2.0
92.22594	4.2
101.06075	3.5
101.26440	2.0
125.72043	2.2
138.25920	2.0
181.02765	2.2
240.51382	2.3
249.18584	27.5
267.19608	3.3
275.16534	11.1
293.17609	100.0
293.21207	21.8
311.18359	3.3
629.40704	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16025	0.4
50.94785	0.4
59.01383	29.8
59.01685	1.0
84.39033	0.4
88.08436	0.5
92.23128	0.6
93.03423	0.6
105.86010	0.5
129.72620	0.5
134.03740	100.0
135.04530	0.9
147.04523	1.6
160.31856	0.5
161.88246	0.4
188.03580	0.5
214.19241	0.5
304.57758	0.5
314.66644	0.5
420.08759	0.9
424.12411	0.6
438.09998	0.9
453.12259	3.0
468.14569	24.5
479.43878	0.5
655.44843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87341	0.4
59.01382	24.0
59.97772	0.4
72.76067	0.5
79.46324	0.4
112.67304	0.4
134.03738	100.0
135.04506	1.7
188.03453	0.7
193.33876	0.6
213.50958	0.6
300.95026	0.5
306.83377	0.5
328.57877	0.5
344.05826	0.5
368.71973	0.5
404.07980	0.5
420.08786	0.7
440.06512	0.6
453.12186	1.9
468.14612	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.2
68.75494	0.6
75.88333	0.5
81.67023	0.5
89.49027	0.5
97.83496	0.6
119.38680	0.5
134.03738	100.0
135.04477	0.6
147.04504	1.0
188.03513	0.7
189.96272	0.6
237.82042	0.6
269.48090	0.6
310.29779	0.7
420.08542	0.8
429.96237	0.7
468.14587	22.0
480.53009	0.6
600.88672	0.7
690.23584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57739	0.6
59.01384	32.1
63.92544	0.6
66.18231	0.6
77.28834	0.6
123.51254	0.7
128.80421	0.6
134.03738	100.0
135.04482	0.9
138.84816	0.6
147.04523	1.5
216.83887	0.6
241.21432	0.8
284.84018	0.8
336.59229	0.8
353.56555	0.7
411.07376	0.9
420.08856	1.2
453.11942	1.2
468.14658	22.8
518.33911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71814	0.4
51.50679	0.4
59.01383	25.2
70.19338	0.5
75.58804	0.4
92.23093	0.6
96.82674	0.5
134.03743	100.0
136.54829	0.5
147.04549	0.7
188.03622	0.9
209.31090	0.5
238.76405	0.7
332.32056	0.5
420.08780	0.8
438.09897	1.2
453.12247	1.2
468.14578	22.5
535.51624	0.7
586.75848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.1
61.36089	0.4
68.26483	0.4
69.23383	0.4
75.91698	0.4
98.21039	0.4
112.84535	0.5
134.03745	100.0
135.04562	0.8
147.04507	0.8
188.03505	0.8
194.63974	0.5
201.95743	0.6
207.12254	0.5
344.05893	0.6
352.80896	0.5
396.93488	0.5
418.88635	0.5
453.12164	1.0
468.14569	21.7
690.21405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.6
66.23721	0.3
67.16777	0.3
70.27577	0.3
77.28831	0.3
77.66907	0.3
80.38623	0.4
92.83135	0.3
134.03741	100.0
135.04517	0.8
147.04527	1.6
175.20183	0.3
175.75250	0.3
208.23431	0.3
285.25125	0.3
344.05859	0.4
389.33585	0.4
417.14337	0.4
420.08676	0.6
438.09970	0.7
453.12158	1.9
468.14569	22.9
690.20935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38659	0.3
58.64381	0.4
59.01383	31.7
92.23206	0.4
113.02450	0.4
134.03738	100.0
135.04535	0.6
140.23643	0.5
147.04544	1.9
157.94598	0.5
190.33084	0.4
218.04337	0.4
219.62917	0.4
222.62312	0.4
244.68594	0.5
279.73679	0.5
319.93088	0.5
420.08734	0.8
424.11816	0.6
438.09998	1.0
453.12411	2.1
468.14560	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48700	0.8
55.80753	0.8
59.01385	4.5
92.22457	1.0
94.14813	0.9
103.64412	0.9
189.11353	2.2
204.93794	0.9
215.12927	0.9
247.25826	1.1
259.36359	1.0
308.02121	2.3
308.05676	58.1
323.08047	64.4
338.10379	100.0
500.15723	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72618	0.1
53.94036	0.2
58.10219	0.2
59.01390	0.2
61.44601	0.2
72.58149	0.2
85.02964	0.8
93.03445	0.5
99.00867	0.3
105.18805	0.2
111.04503	0.2
115.00417	0.2
121.60427	0.2
123.65285	0.2
123.66141	0.2
135.04564	0.3
139.00357	0.2
149.06049	0.2
157.01396	0.4
161.02464	2.3
173.04550	0.8
175.02458	0.7
177.01924	0.8
179.03519	1.2
191.05632	100.0
226.12645	0.2
233.04543	0.8
241.19151	0.2
244.84869	0.2
277.03482	0.9
319.04675	0.7
337.05746	0.8
337.09451	0.3
339.02908	0.2
353.08820	29.6
369.20053	0.2
416.39368	0.2
450.01489	0.2
568.98950	0.2
691.18549	0.3
704.93787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78701	0.3
65.57325	0.3
69.82662	0.3
71.28556	0.3
71.95684	0.3
72.99301	2.8
73.73242	0.3
74.17860	0.3
77.43330	0.3
86.40559	0.3
123.04456	0.6
125.02441	11.4
135.04491	0.5
148.83437	0.3
163.32874	0.3
169.01419	100.0
179.03514	3.9
193.55099	0.4
197.04567	9.7
208.76245	0.3
241.25436	0.3
331.06747	39.6
334.12473	0.4
359.09879	9.4
359.14084	0.7
432.09189	0.4
469.48309	0.4
506.29990	0.4
583.01068	0.4
612.17682	0.4
629.20465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53151	0.4
55.20561	0.3
55.41457	0.4
59.01368	0.6
72.99305	8.2
82.27340	0.4
89.02435	0.6
107.95489	0.5
120.18629	0.5
123.04532	2.1
125.02434	11.6
135.04527	2.6
166.72133	0.4
167.12846	0.4
169.01419	100.0
179.03513	7.3
191.05699	0.9
193.05112	0.9
197.04559	22.6
198.04968	0.5
279.10849	0.7
312.16348	0.5
329.08762	0.7
331.06699	38.2
359.09885	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35750	0.6
68.48581	0.9
71.01388	3.6
72.99294	6.5
93.03440	1.6
98.06757	0.8
107.53944	0.9
111.00838	1.3
115.00364	12.7
125.02443	15.1
133.01430	34.3
135.04512	3.6
151.04065	1.0
169.01421	100.0
173.04527	1.2
179.01590	0.7
179.03415	6.7
191.05542	1.8
197.04553	18.4
225.02403	0.9
243.03288	4.1
271.17111	0.8
273.06155	3.0
277.10892	0.9
313.09201	1.2
331.06747	43.4
359.09955	13.5
491.83292	1.1
626.28888	1.0
691.20630	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26786	0.2
69.44114	0.3
72.99303	3.5
84.60824	0.3
92.95773	0.4
97.02950	0.3
123.04532	0.5
125.02439	10.5
131.19305	0.3
133.01387	0.5
134.28320	0.3
135.04483	0.6
138.27304	0.3
156.06937	0.4
169.01418	100.0
179.03487	4.1
182.00102	0.4
197.04553	11.6
277.64038	0.3
281.74292	0.3
295.49142	0.4
331.06729	36.6
359.09860	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57578	0.2
51.62045	0.3
54.90775	0.2
61.08877	0.3
69.49796	0.3
72.99303	3.7
86.93087	0.3
117.90553	0.3
123.04526	1.3
125.02449	10.8
135.04514	0.7
138.70404	0.3
148.06509	0.3
153.69016	0.3
169.01428	100.0
176.05136	0.3
179.03523	4.4
191.05626	0.5
197.04576	10.6
226.09621	0.4
268.08447	0.3
331.06750	34.0
359.09882	9.4
361.10580	0.4
624.11554	0.4
691.19684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04723	3.8
69.79627	4.3
73.14914	4.6
74.99085	8.0
75.11732	4.5
81.20207	5.1
88.66909	4.3
99.92579	38.0
100.71171	5.2
108.19447	4.8
115.92049	11.2
116.92855	52.7
136.99190	9.9
298.30948	5.1
404.52740	4.9
460.19556	5.7
509.10565	9.9
510.11688	7.9
513.22839	6.2
523.12738	6.6
524.13062	100.0
538.15332	6.3
556.12390	23.9
585.16138	6.1
597.15991	11.1
659.16205	62.9
691.18689	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.189
Annotation	Unknow
Peak:m/z	Relative Intensity
75.57944	0.4
85.02929	0.5
91.16825	0.4
93.03429	0.5
111.04504	0.9
119.05027	17.3
128.89436	0.5
133.23181	0.5
138.50705	0.5
149.88872	0.4
155.03488	0.9
161.02443	0.9
163.04013	54.0
168.64005	0.4
173.04565	3.0
179.03473	0.7
191.05634	100.0
231.64743	0.5
337.09338	20.6
353.08835	24.6
429.05170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82944	0.3
59.01386	0.6
60.99341	0.3
62.31512	0.3
67.01881	0.4
67.42173	0.4
71.01382	0.8
76.14005	0.4
85.02936	0.7
87.00873	0.5
90.06301	0.3
93.03446	7.7
102.65671	0.4
111.00852	0.4
111.04507	2.9
119.05023	4.9
119.28431	0.4
121.29629	0.3
133.83141	0.4
135.04529	23.0
136.66800	0.3
137.02435	4.6
147.93304	0.3
155.03506	6.1
161.02451	0.9
163.04013	13.3
173.04553	100.0
179.03511	42.8
191.05629	33.1
233.03156	0.4
235.95300	0.4
250.56311	0.4
266.43597	0.4
289.87128	0.4
337.05267	0.8
337.09335	20.2
353.08835	63.9
643.72931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06589	0.8
70.96957	1.0
71.01373	1.5
71.95630	0.8
78.47767	0.8
93.03465	7.5
95.12931	0.8
95.17429	0.8
111.04495	1.5
119.05025	14.4
135.04518	31.9
135.05513	1.5
137.02458	5.1
152.68210	0.9
155.03491	7.1
161.02454	1.3
163.04018	51.1
166.80910	0.9
167.73280	0.9
173.04547	92.8
179.03508	70.0
191.05623	48.2
251.38789	0.9
252.40974	0.9
286.37473	1.0
295.02573	0.8
337.09268	16.5
353.08810	100.0
608.32037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.189
Annotation	Unknow
Peak:m/z	Relative Intensity
72.50874	0.9
75.18530	0.9
85.02981	1.6
86.00751	1.2
87.04201	1.0
87.32674	1.1
93.03452	2.4
111.04552	1.6
119.05014	37.5
135.04517	16.7
137.02426	1.6
155.03505	5.9
163.04018	100.0
173.04539	47.0
179.03511	37.2
179.05014	1.7
191.05634	81.5
255.10306	2.0
277.49191	1.1
321.20187	1.2
337.09344	79.6
353.08856	42.3
380.67276	1.1
507.49466	1.2
619.22394	1.5
691.18884	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.2
65.40092	0.7
80.58648	0.6
83.05040	0.7
105.01942	0.9
118.99433	0.7
134.03664	0.9
193.05075	0.7
203.81201	1.0
240.04152	0.9
260.92758	0.8
284.03284	34.0
299.05630	100.0
306.20938	0.8
329.80566	0.8
344.13785	0.7
367.10779	0.9
383.32404	0.9
402.27631	0.9
554.97534	0.9
691.18719	5.6
696.00977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06868	0.7
59.01383	1.6
69.27384	0.6
84.61199	0.6
85.02969	0.8
89.02438	0.8
97.46700	0.6
111.04439	1.0
113.02470	1.6
115.28407	0.7
144.26726	0.7
284.03299	37.5
299.05652	100.0
691.18091	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.30304	0.3
71.01378	2.1
73.02943	0.4
81.22556	0.3
82.16277	0.4
85.02942	1.3
92.23087	0.6
93.03447	22.2
94.32166	0.3
97.35756	0.3
99.88918	0.3
101.02409	1.2
108.02189	0.5
111.04471	0.4
113.02443	1.6
115.00349	0.5
119.05019	1.6
135.04529	0.5
137.02444	100.0
151.51913	0.3
155.03510	0.6
161.02478	0.4
161.04549	0.6
163.04025	7.7
170.87224	0.3
173.04568	4.4
175.06068	0.3
179.03503	3.2
191.05630	30.2
200.93552	0.3
212.05917	0.3
227.07161	1.5
255.10336	7.0
265.35681	0.4
277.65741	0.3
285.56741	0.3
299.07739	33.5
337.09448	3.1
343.08334	1.3
353.08911	3.8
516.48907	0.3
517.13086	2.2
525.94727	0.4
596.94330	0.3
629.10773	0.3
659.61011	0.3
691.18903	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17673	0.7
53.83707	0.6
54.74714	0.7
57.93315	0.6
58.68314	0.6
68.12047	0.7
69.99834	0.7
71.10994	0.8
72.99303	25.3
75.87315	0.8
100.15292	0.8
123.04507	7.0
125.01581	0.9
125.02423	9.4
135.04535	6.7
151.04030	1.2
169.01411	66.5
179.03506	31.0
179.05008	1.6
182.02324	0.9
185.41011	0.8
193.05101	1.9
197.04564	100.0
211.20047	0.7
225.76067	0.8
329.08792	4.8
330.09177	3.2
331.06607	22.2
359.09869	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.30304	0.3
71.01378	2.1
73.02943	0.4
81.22556	0.3
82.16277	0.4
85.02942	1.3
92.23087	0.6
93.03447	22.2
94.32166	0.3
97.35756	0.3
99.88918	0.3
101.02409	1.2
108.02189	0.5
111.04471	0.4
113.02443	1.6
115.00349	0.5
119.05019	1.6
135.04529	0.5
137.02444	100.0
151.51913	0.3
155.03510	0.6
161.02478	0.4
161.04549	0.6
163.04025	7.7
170.87224	0.3
173.04568	4.4
175.06068	0.3
179.03503	3.2
191.05630	30.2
200.93552	0.3
212.05917	0.3
227.07161	1.5
255.10336	7.0
265.35681	0.4
277.65741	0.3
285.56741	0.3
299.07739	33.5
337.09448	3.1
343.08334	1.3
353.08911	3.8
516.48907	0.3
517.13086	2.2
525.94727	0.4
596.94330	0.3
629.10773	0.3
659.61011	0.3
691.18903	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80556	0.3
59.01379	1.7
71.01382	1.7
85.02955	0.6
88.04049	0.7
89.02434	0.5
93.18330	0.5
101.02459	2.1
107.75506	0.4
108.02168	22.2
109.02187	0.6
109.02943	17.3
113.02438	0.8
118.39744	0.3
151.04024	2.2
152.01152	53.0
153.01936	26.0
158.02879	0.4
163.03986	2.0
165.01970	0.8
174.26425	0.4
195.03119	0.5
225.04109	0.4
230.37613	0.4
238.03981	0.4
248.62875	0.4
259.03897	0.5
297.06119	0.4
315.07263	100.0
329.72122	0.4
388.50186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.9
59.45051	0.7
61.75848	0.6
64.29927	0.7
71.01363	7.0
72.99279	0.8
75.00861	4.9
84.55919	0.8
85.02950	8.8
87.00875	4.5
89.02449	5.3
89.99992	0.7
93.03436	1.0
95.01378	2.9
99.00865	5.2
101.02411	1.2
103.00347	1.5
111.40237	0.7
113.02443	26.1
115.00415	0.7
117.01904	3.0
119.05013	11.0
129.01921	1.6
145.02974	12.9
163.04008	34.1
175.02426	1.2
179.03497	0.9
189.05579	3.2
191.05643	3.9
207.05075	1.5
231.05022	1.1
237.07632	6.3
249.06171	33.7
261.07709	3.6
267.07233	96.9
351.10782	0.9
413.11008	8.2
469.85721	0.8
473.45547	0.8
529.15533	1.8
631.18970	8.2
691.20978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
64.44872	0.6
71.01360	0.8
72.99300	11.8
73.02963	1.1
76.59993	0.8
81.03476	1.0
83.01389	1.4
83.05019	3.3
89.02440	0.9
92.23145	0.8
93.03484	1.2
96.20007	0.8
97.02943	8.9
103.46016	0.8
109.02937	5.9
111.04509	12.3
113.02480	1.0
115.40367	0.8
127.04004	24.0
129.05597	1.4
134.96561	0.8
138.05634	0.9
141.05569	3.7
141.97398	0.8
155.03497	33.1
159.03000	1.2
169.05064	1.7
171.03011	1.8
173.04538	1.0
185.04565	53.8
187.06093	4.9
187.07693	1.0
199.02504	26.7
203.05649	15.4
217.03577	16.8
231.05109	62.3
237.16701	0.8
237.87955	0.7
245.71169	0.9
249.06172	100.0
256.91809	0.9
293.24075	0.8
299.97488	0.8
332.49197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69950	0.2
59.01367	0.5
60.22068	0.3
62.78174	0.3
63.27559	0.3
63.50394	0.2
66.10012	0.3
70.72790	0.3
71.01376	1.2
73.02929	0.5
77.10217	0.3
79.86913	0.3
85.02927	0.6
91.29468	0.2
91.71259	0.3
95.01349	0.4
100.40877	0.3
101.02390	0.6
108.02166	22.6
109.02948	14.6
113.02435	1.7
113.44574	0.3
121.02929	0.4
133.03004	0.4
141.88371	0.3
151.03975	2.2
152.01152	52.3
153.01936	27.0
161.04535	0.3
163.04002	1.3
165.01921	2.6
181.05028	0.3
191.05511	0.5
195.02966	0.5
315.07260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2195
Annotation	Cathayanon B
Peak:m/z	Relative Intensity
59.76388	0.7
65.03967	1.2
65.83407	0.6
76.94479	0.6
78.95936	1.0
107.05037	0.9
109.02947	45.1
121.02944	4.9
125.02444	8.9
135.04514	4.4
137.02414	1.8
147.08156	1.0
151.00369	1.1
151.03993	8.8
161.02441	7.6
173.06093	7.7
175.07619	5.1
177.01891	0.8
177.21573	0.8
183.61293	0.9
189.05537	0.9
191.07150	7.0
201.09312	0.9
215.07166	1.2
217.04974	1.7
227.07176	8.9
231.06630	15.0
243.06615	12.6
255.06607	1.1
256.07373	1.0
257.08200	5.8
267.10202	1.0
269.04575	1.7
269.08157	1.5
277.21872	0.9
283.06177	3.1
283.09894	1.4
284.03253	6.8
293.08270	1.2
295.09744	1.3
296.03088	1.1
297.07986	1.8
297.11325	31.1
307.09897	2.8
309.04022	1.5
309.11371	3.3
310.04816	1.7
335.05774	1.3
349.10873	9.5
350.07852	1.3
353.10327	14.5
361.10922	3.3
365.10193	2.7
379.11896	7.8
417.13412	3.6
419.15054	8.1
539.17389	1.8
558.79315	0.9
581.18170	29.4
691.21942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74852	0.5
59.01380	21.8
68.98885	0.6
71.01372	1.4
71.83662	0.7
73.02956	0.6
73.09225	0.6
80.26797	0.7
83.40742	0.7
85.02946	1.4
93.03415	0.8
101.02431	2.8
101.62489	0.7
115.88042	0.7
134.03745	17.2
135.04080	3.3
136.63713	0.8
141.76387	0.8
149.02452	2.9
151.04034	4.1
152.01143	0.7
160.89693	0.8
161.04623	1.1
164.04796	7.8
165.05403	0.7
175.00343	0.8
179.07129	1.6
190.02730	22.9
205.05066	94.1
208.03801	3.6
208.51076	0.8
209.04526	1.7
223.06087	15.0
265.07242	1.2
321.31177	0.8
454.15091	1.6
469.17184	100.0
529.26489	1.3
539.21448	0.9
583.71008	0.8
694.74890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20552	0.3
57.07879	0.3
59.01104	0.8
59.01382	17.0
71.01382	2.7
81.01653	0.5
89.02435	2.0
101.02439	2.7
113.02454	0.7
119.03533	0.4
132.48305	0.5
135.04489	0.5
140.42842	0.4
149.02435	0.4
152.01227	0.5
164.04794	9.6
167.03381	0.5
175.00317	0.9
179.07103	2.9
182.64827	0.4
190.02736	25.9
205.05070	94.3
208.03784	2.0
209.04565	0.8
222.05222	0.5
223.06117	14.0
254.28070	0.5
258.27075	0.5
265.07242	0.8
336.12378	0.6
439.12622	0.6
454.14938	2.6
469.17191	100.0
585.46472	0.5
618.54865	0.4
692.40204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67040	0.6
58.46933	0.7
59.01381	2.9
71.01389	1.5
73.40563	0.7
75.90558	0.7
83.95020	0.7
85.02929	0.9
101.02442	3.0
113.02412	1.3
116.92856	1.1
117.01897	1.2
134.03732	3.8
149.02412	0.7
163.04024	0.8
164.04808	7.6
170.89954	0.8
175.00258	0.9
190.02733	21.1
191.05669	3.8
205.05067	100.0
208.03827	3.9
209.04634	1.2
214.07671	0.8
223.06165	14.6
265.14197	0.8
279.85114	0.9
454.14661	3.2
469.17212	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	1.3
59.01383	66.0
61.98809	3.0
62.48460	1.5
70.91821	1.6
71.01374	14.8
77.84193	1.5
85.02925	1.5
87.31695	1.7
89.02448	14.8
94.10991	1.7
98.60378	1.8
101.02412	8.7
113.02420	7.3
119.03522	6.3
161.04680	1.7
165.03017	1.7
179.05600	2.3
263.07193	7.2
266.09561	4.1
278.09518	3.2
281.08237	10.5
293.11865	34.2
296.10583	21.8
311.12872	6.9
322.08603	4.1
337.11081	12.1
355.11993	8.4
367.11884	100.0
385.12946	21.6
446.30872	2.1
601.23169	3.3
631.23938	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40016	0.8
50.68005	0.8
50.90887	0.8
54.11364	0.8
59.01359	1.0
59.41168	0.9
66.29275	0.8
68.05286	0.8
68.48474	0.9
69.60246	0.9
69.63120	0.7
71.01377	100.0
97.02942	29.2
107.11465	1.0
121.02905	1.3
149.02422	1.7
150.03207	20.1
164.04762	1.4
165.05554	22.5
171.10269	1.2
175.03970	2.2
180.04251	1.3
191.05664	1.2
195.06584	1.8
242.63873	1.1
268.03949	0.9
283.06186	7.0
460.73663	1.0
468.95395	1.1
473.18301	9.7
521.20422	16.0
571.21948	7.1
619.24097	10.5
643.24274	8.6
691.25891	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
59.01385	100.0
71.01373	18.8
73.02941	4.2
83.43848	0.8
85.02958	9.1
89.02453	1.7
91.00731	0.7
99.00876	1.4
101.02442	12.6
113.02437	9.5
143.03506	1.4
149.76637	0.8
156.76930	0.8
159.02956	1.6
161.04553	33.7
193.63707	0.7
195.05766	0.8
262.11728	0.8
285.11398	1.3
298.15698	0.9
371.15021	1.1
533.20404	6.4
619.47516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.61566	0.8
63.76142	0.8
69.76743	0.9
71.01379	100.0
73.02957	1.4
90.14275	0.9
96.96012	1.6
97.02951	31.4
102.91846	0.9
106.12720	1.0
133.02916	1.0
135.04585	1.7
149.02409	4.4
150.03230	16.4
159.10493	0.9
161.02414	1.9
165.05573	26.5
177.58241	1.1
180.04268	2.0
191.03506	4.0
191.05472	3.7
195.06641	2.5
206.06923	1.0
221.60963	1.0
283.06165	3.7
329.14151	1.7
473.18137	11.2
521.20386	17.3
571.21851	7.0
619.24310	7.7
643.23901	9.7
691.25592	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.6
61.46593	1.0
130.00049	1.3
134.03738	41.1
135.04117	9.6
145.68785	1.1
261.07932	2.1
263.09540	6.2
276.10181	4.0
277.03888	1.0
277.07465	4.8
278.08282	2.5
290.04636	1.7
291.05359	13.2
291.09045	6.0
292.09735	1.3
293.10507	1.6
305.06848	9.7
306.07770	86.1
320.09332	38.6
321.10101	42.1
336.12457	100.0
354.13507	11.2
454.12943	1.2
468.14441	1.9
469.15002	7.5
586.99158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39571	0.9
64.04478	0.8
70.07662	0.8
72.99300	45.0
74.11923	0.9
123.04491	17.2
129.02905	0.9
134.03860	1.0
135.04523	25.5
143.49026	1.0
149.06137	1.3
151.03909	1.2
152.15482	1.0
178.02676	2.2
179.03493	50.4
191.05539	1.6
193.05070	10.9
197.04565	100.0
211.06708	1.4
212.07523	1.4
215.05634	1.1
223.35773	1.3
304.96213	0.9
493.16544	2.1
554.44958	1.2
653.79950	1.1
691.19543	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3347
Annotation	Jaspamide P
Peak:m/z	Relative Intensity
59.01365	1.9
59.19703	0.7
71.01407	1.5
82.95428	1.2
85.02934	1.0
89.02450	1.1
96.47575	0.7
101.02429	1.5
105.01927	4.5
112.32453	0.7
119.03506	0.8
132.02126	1.0
134.03749	18.9
149.06075	5.0
160.01656	23.8
161.02399	0.9
162.82874	0.7
175.04004	100.0
178.07558	0.8
193.05066	45.4
223.06024	1.1
235.06154	1.4
281.06610	1.9
293.21207	2.9
331.53400	0.8
353.23645	0.9
372.82297	0.8
373.00671	0.9
575.13373	0.9
691.33502	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14063	4.0
56.40645	3.4
58.18460	3.8
59.46432	3.8
66.92491	4.2
75.33128	3.9
118.75517	4.4
131.73631	4.1
142.47662	4.8
152.99561	7.1
160.46867	4.9
291.27927	4.5
486.82132	4.5
578.10742	5.1
691.34625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	(-)-Bisisomahanine
Peak:m/z	Relative Intensity
51.50455	0.5
59.01383	19.4
71.01373	11.6
73.02938	2.8
78.95905	3.9
80.87270	0.6
81.03445	0.6
83.01390	1.0
87.00883	1.1
89.01931	1.2
89.02432	13.4
90.15533	0.6
93.07751	0.7
97.02928	1.1
101.02453	9.3
113.02443	5.0
113.09744	0.8
119.03469	3.5
125.02441	2.8
125.09679	2.8
143.03413	0.9
149.09718	1.4
149.88014	0.8
152.99677	1.0
161.04524	0.8
170.73694	0.6
185.11809	10.1
221.06676	0.8
235.08182	1.4
249.22066	0.9
293.21252	100.0
351.96301	0.7
397.13583	32.7
415.14587	16.6
691.35400	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.3
68.48751	0.9
71.01381	11.7
73.02930	1.0
78.95899	3.9
85.02934	1.2
87.00885	1.4
89.02443	14.9
92.23129	1.2
97.02930	1.4
101.02438	11.3
113.02418	5.0
113.09730	5.5
119.03532	0.9
125.02454	2.1
134.37373	1.1
152.99559	1.2
161.04578	1.3
179.05533	1.2
179.10713	1.2
185.11852	4.6
230.68129	0.9
235.08398	1.6
249.22289	1.6
253.72342	1.1
285.01877	0.9
293.21255	100.0
336.41391	0.9
397.13541	34.0
415.14722	14.3
691.35376	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96437	1.1
56.23258	1.2
59.01369	15.2
61.98861	1.9
62.00687	1.0
65.52167	1.1
70.69043	1.0
71.01382	7.6
72.28435	1.1
78.95906	7.6
85.02950	2.4
89.02436	11.1
101.02442	9.8
106.36625	1.3
110.28717	1.8
113.02448	3.1
119.03497	2.0
123.18270	1.3
125.02418	2.8
125.09656	2.6
149.09525	1.5
185.11841	8.8
197.11899	2.9
235.08246	1.5
264.49564	1.4
293.21255	100.0
323.02130	1.7
378.91025	1.5
395.42584	1.4
397.13568	27.4
415.14679	11.6
691.35486	34.3
708.57446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89098	2.9
59.01377	27.0
61.98826	2.6
71.01386	19.9
75.27641	2.8
78.95895	4.1
85.02978	4.1
86.20099	2.7
87.00890	3.5
89.02466	24.0
94.28780	2.9
98.46797	3.1
101.02447	19.5
113.02444	6.7
117.90941	3.1
119.91840	2.9
147.84570	2.7
152.99623	4.4
161.04544	5.4
179.55115	2.8
197.11829	5.1
223.17068	50.1
224.88072	3.4
227.14529	3.1
235.17085	6.1
275.20160	25.4
293.21252	100.0
355.03342	2.9
368.34357	2.8
397.13547	50.6
415.14722	44.9
444.61719	3.1
609.26849	5.7
624.41278	3.1
691.35132	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.1
70.37100	2.8
71.01373	23.9
73.02951	4.0
75.07043	2.3
76.60953	2.7
78.95903	3.0
79.77664	2.6
89.02432	41.0
93.78893	3.3
97.02988	3.7
101.01878	3.0
101.02440	28.7
113.02435	6.7
119.03479	5.1
124.42909	2.9
161.04538	4.4
163.85243	3.2
221.06882	2.8
235.08217	5.5
235.17061	57.2
251.03296	2.7
275.20163	73.7
281.04971	5.5
293.21222	100.0
397.13583	80.5
415.14581	56.2
627.68005	3.0
691.35431	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72956	1.0
57.24610	0.9
58.32300	1.2
59.01382	29.0
61.59268	1.3
63.40515	1.1
71.01378	19.4
71.03455	1.0
72.99280	1.1
73.02933	2.2
74.24232	0.9
74.91077	1.0
75.12405	1.0
83.01382	2.3
83.15816	1.1
83.16384	1.0
85.02945	2.3
87.00872	2.0
89.02446	23.8
93.28880	1.2
97.02956	1.7
99.00871	1.4
100.56474	1.0
101.02439	19.2
113.02468	10.4
119.03502	7.1
125.02438	5.1
139.11305	1.7
143.03534	2.3
155.10782	7.0
161.04543	4.9
170.67171	1.3
179.05650	1.8
183.10280	67.8
183.13898	6.9
211.13425	1.2
235.08260	2.7
275.20248	10.7
293.21277	100.0
397.13531	57.3
415.14621	32.3
691.35596	33.7
691.46594	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.5
63.46127	0.7
68.96210	0.8
71.01379	10.1
83.01360	1.0
85.02964	1.1
87.00871	2.0
89.02449	16.0
91.20844	0.8
96.53075	1.0
97.02985	1.0
101.02432	12.8
113.02444	6.7
119.03522	3.7
125.02454	2.1
126.08485	0.8
143.03476	1.5
161.04535	1.1
179.05701	1.7
183.13855	1.2
195.13896	11.6
196.14694	2.1
221.06647	1.2
223.13397	6.7
224.14258	0.9
231.21124	1.0
235.08253	1.3
253.09230	1.0
275.20160	8.7
293.21268	100.0
397.13519	26.9
415.14560	34.2
691.35712	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38029	2.2
64.80538	2.6
69.31276	2.5
75.20646	2.7
75.85419	3.6
84.93939	3.4
89.22274	2.8
99.92577	57.1
100.93371	29.1
115.92059	39.4
116.92849	67.2
150.82733	2.8
177.89915	3.1
195.36775	3.1
204.72055	3.3
243.15988	2.7
255.16058	15.8
279.23337	6.5
357.11456	3.4
389.10910	3.9
393.13919	16.6
468.60577	2.8
673.37787	10.8
691.38831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69463	0.8
55.22243	0.9
59.01383	100.0
60.45132	0.7
67.24372	0.9
68.21597	0.8
70.52690	0.8
73.58170	0.8
78.23499	0.7
85.19717	0.9
104.11658	0.9
140.11342	0.9
156.68196	0.9
164.97246	1.0
168.33522	0.8
277.21768	15.5
319.23221	1.0
450.33679	1.0
504.87656	1.0
691.44598	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.6
59.01382	11.7
65.16795	0.7
71.01371	7.8
73.02943	9.8
75.00861	1.8
85.02951	3.0
89.02422	1.3
95.01369	0.8
97.95015	0.9
101.02447	3.1
102.07697	0.7
113.02438	5.2
125.06112	1.2
161.04529	1.5
249.18611	14.7
255.23250	1.3
257.22809	1.5
262.63733	0.7
263.23788	3.0
265.25400	1.6
275.23825	4.3
279.23312	100.0
293.24896	35.6
303.23199	5.7
321.21033	1.2
321.24362	30.1
333.24374	1.8
351.25500	4.8
375.25638	0.8
420.79514	0.9
490.12842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96375	2.1
54.75864	1.6
59.01378	100.0
67.68829	2.4
77.96534	2.1
85.83928	1.9
89.41663	2.0
105.82108	2.2
110.15827	2.4
124.97015	2.1
142.65761	2.2
163.98270	2.5
204.09634	2.3
205.00366	2.4
214.82797	2.5
277.21713	4.8
377.89914	2.6
397.29642	2.3
429.09662	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39437	2.1
61.50561	2.4
72.78345	2.7
78.23937	2.9
87.00881	2.6
92.22496	2.9
104.36713	2.0
133.43773	2.8
139.51291	2.3
141.12828	10.6
187.23318	2.5
193.63217	2.3
249.22263	9.8
295.22821	100.0
524.56738	3.0
692.42560	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
72.99297	50.9
78.30174	1.8
85.02916	1.9
85.10664	1.8
96.95986	10.2
101.02441	2.5
123.04517	20.3
130.91132	1.8
135.04529	18.1
162.03210	10.6
165.05588	2.9
175.23198	1.9
177.05592	15.5
179.03497	51.6
183.03008	22.6
196.14168	1.9
197.04578	74.2
211.06172	7.6
225.03899	2.3
327.07138	12.5
341.08942	14.3
377.04199	2.0
539.14044	4.1
693.13470	100.0
700.69458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27689	0.8
58.13140	0.9
59.01376	4.7
60.75725	1.0
62.11175	0.8
67.01899	2.0
71.01371	5.6
85.02943	2.4
87.00848	1.5
89.02440	2.4
93.03452	20.6
111.04493	6.0
113.02454	2.2
119.05000	11.0
124.10387	1.0
127.03978	2.2
133.01479	1.0
134.03751	16.2
137.02435	4.7
144.21327	1.0
145.02916	8.7
149.06087	4.8
155.03496	7.9
161.06047	1.5
163.04016	17.2
165.01619	1.0
173.04549	100.0
175.04018	7.2
186.55750	1.0
191.05634	68.1
191.07216	2.3
192.73003	1.1
193.05063	25.0
226.06357	15.9
241.08701	39.4
253.08626	6.2
254.09451	4.6
269.11829	1.5
295.09729	4.4
313.10754	1.7
325.09192	1.6
337.09244	4.6
339.08774	1.6
355.10828	1.4
357.09772	7.3
367.10413	11.9
459.12576	1.6
519.15039	7.1
531.14911	7.1
633.18079	6.8
693.20300	61.6
696.23035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81767	0.2
55.67461	0.3
66.95589	0.2
73.57092	0.3
79.67104	0.3
96.69689	0.3
143.25423	0.3
176.36583	0.3
198.59558	0.3
243.05919	0.3
268.03784	24.3
283.06140	100.0
285.26224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95343	0.1
53.56500	0.1
53.88361	0.1
59.01383	0.2
60.02654	0.2
68.89487	0.1
80.26517	0.1
95.05531	0.2
96.46355	0.2
231.12029	0.2
239.06982	0.2
255.31230	0.2
268.00766	0.3
268.03787	22.4
283.06134	100.0
593.28571	0.2
633.18298	4.3
645.26501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60865	0.5
59.01381	0.7
60.99312	0.7
63.52550	0.5
63.88662	0.4
64.52810	0.6
67.01891	2.6
71.01372	1.1
74.41300	0.6
85.02933	0.9
87.00859	5.3
93.03449	24.7
100.81689	0.5
111.04527	5.4
127.03968	0.5
134.03754	4.6
137.02487	1.1
146.63474	0.6
149.06065	1.0
155.03505	2.3
173.04544	34.9
191.05627	100.0
193.05060	12.8
241.08658	3.4
306.58286	0.6
357.09601	0.7
367.10367	69.5
519.15149	0.8
693.20184	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
62.82240	0.3
66.75438	0.3
72.21794	0.3
107.20854	0.3
128.59204	0.3
176.88712	0.3
232.30508	0.3
262.55783	0.4
268.03784	23.8
283.06149	100.0
310.76587	0.3
411.63211	0.4
503.70071	0.4
633.18311	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
63.66220	0.3
75.02986	0.3
79.83134	0.3
81.28683	0.3
82.38251	0.3
90.77628	0.3
232.52997	0.3
248.60400	0.4
254.72798	0.3
268.03793	21.2
283.06140	100.0
458.77808	0.3
633.18317	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97210	0.5
61.03095	0.5
61.98835	9.6
73.02944	0.5
84.58031	0.5
97.99835	0.6
103.48583	0.6
125.24448	0.5
130.24664	0.5
170.81725	0.6
171.42847	0.6
188.27997	0.6
190.59969	0.6
216.84604	0.7
268.03769	22.6
283.06143	100.0
407.08057	0.7
474.89178	0.6
496.37982	0.6
588.24573	0.6
602.39185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	0.8
53.75030	1.2
59.01380	4.6
71.01382	5.7
73.76848	1.1
85.02945	2.0
87.00875	4.5
89.02431	2.2
91.07210	1.2
93.03442	12.1
99.00879	7.3
101.02437	2.1
109.02931	1.7
111.04534	4.2
113.02436	2.0
115.00347	10.5
119.05022	7.1
134.03752	1.8
135.04483	1.6
137.02478	1.1
139.00316	2.1
145.03009	2.4
149.06093	17.4
155.03503	4.9
159.03041	1.5
161.02435	11.4
161.06013	1.2
163.04007	11.8
173.04549	47.6
175.02472	10.5
175.03906	2.9
177.01962	14.6
179.59033	1.1
191.05626	100.0
192.05942	4.4
193.05066	11.4
216.83026	1.3
219.02971	6.0
226.06339	15.6
233.04506	14.9
237.04048	7.7
241.08705	39.8
253.08609	1.5
269.11688	1.7
277.03537	22.0
286.01889	1.3
319.04657	13.0
337.05646	24.3
337.09366	33.2
355.09982	1.5
357.09778	6.9
459.13821	1.5
519.15082	8.0
531.15027	5.4
693.20581	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88691	1.1
54.27498	1.1
60.40477	1.1
60.46896	1.4
61.49985	1.1
67.80964	1.2
93.03429	2.6
96.95998	61.7
115.04069	1.4
117.03452	7.3
119.05034	10.7
128.03525	5.1
145.02948	100.0
161.06084	3.2
163.04001	17.6
164.04770	1.8
173.04526	3.2
175.04016	6.4
187.04056	3.4
190.02652	2.5
191.03607	2.0
191.05644	11.2
193.05136	1.6
200.12830	1.8
205.05116	22.1
209.04405	1.6
221.08183	2.9
223.06171	11.0
265.07166	6.1
272.11551	2.7
290.12756	2.0
316.10165	2.2
331.11990	2.0
349.14221	10.3
355.08188	3.1
367.10275	5.7
373.12845	2.5
394.30939	1.5
433.14853	3.2
528.84998	1.4
531.15173	48.3
586.76019	1.9
687.33905	1.8
693.20410	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
60.48692	1.2
71.01372	3.4
93.03454	20.7
96.95982	6.6
101.02405	1.8
104.85503	1.4
111.04502	5.9
133.02933	17.0
134.03746	5.6
135.04565	2.6
137.02428	5.6
150.03334	2.5
155.03523	7.3
173.04539	100.0
177.01886	7.8
178.02721	9.7
179.03485	10.8
191.05673	2.3
193.05038	6.4
197.04767	1.6
226.14861	1.4
269.02853	1.4
339.08743	9.0
351.07184	8.6
406.24390	1.6
513.14313	5.2
519.14917	2.1
631.20117	1.7
693.20178	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68540	1.0
59.01383	100.0
61.59139	1.1
66.61270	1.0
79.03487	1.0
79.29779	1.2
93.03465	1.7
97.98013	0.9
103.00368	38.3
103.04004	4.2
103.42313	1.0
111.48174	1.0
133.02931	2.5
133.05069	60.8
161.99217	1.0
166.76665	1.2
173.04552	5.0
175.06133	15.2
179.03595	1.9
180.32948	1.1
191.05640	9.7
201.72057	1.1
209.14198	1.2
219.05148	2.5
241.08762	1.1
290.34338	1.1
307.89749	1.1
351.07330	2.2
693.20941	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26223	0.8
61.98814	1.1
67.01868	3.4
69.61859	0.8
111.00870	100.0
208.07426	3.3
389.15985	4.7
419.17465	3.5
693.23700	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29105	0.3
57.15739	0.4
59.01376	1.6
59.57423	0.3
61.20049	0.3
75.34840	0.4
87.00867	100.0
101.02446	0.4
102.84617	0.5
112.08694	0.4
119.63621	0.4
121.33984	0.4
202.41342	0.4
268.03873	1.0
283.06195	5.7
693.30109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78820	1.6
56.48605	1.6
59.01382	97.6
63.75232	1.6
71.01371	34.0
73.02947	12.0
83.01395	4.7
85.02940	20.8
87.00790	1.9
89.02448	9.4
99.00893	3.1
101.02443	40.4
111.00851	2.1
113.01740	1.8
113.02438	13.5
116.92842	2.2
119.03561	2.5
123.62061	1.8
151.76103	2.1
161.04552	11.0
164.04878	2.4
165.15681	2.0
190.02789	3.1
202.09904	2.1
205.05072	15.6
207.06679	2.3
208.03899	7.8
223.06113	7.8
245.17607	8.8
310.06781	3.0
325.09213	2.4
343.15521	2.6
357.13440	3.2
375.68567	2.1
389.06769	2.4
469.17053	8.0
475.16284	2.8
505.20786	9.6
517.20880	100.0
535.21893	59.5
561.19214	2.4
693.23151	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32271	0.8
59.01389	1.4
60.00635	0.8
60.61212	0.7
66.23850	0.8
66.26972	0.7
69.88467	0.8
71.51321	0.7
73.02946	0.9
89.58820	1.0
98.58434	0.9
108.02124	1.0
119.04961	1.1
123.04476	1.4
145.02922	3.8
163.04008	4.3
164.04773	1.0
165.05522	1.2
166.02682	1.0
173.04555	2.1
175.03877	1.2
178.02734	1.9
179.07167	2.1
193.05096	4.3
196.90498	0.8
205.05020	5.5
223.06255	1.7
227.11998	1.9
229.09735	4.2
243.11398	5.4
244.08510	1.8
244.12181	10.8
246.77315	0.9
255.11423	5.4
257.09323	35.9
259.10895	10.9
260.11630	1.7
271.10873	1.1
272.11703	39.0
273.12515	6.3
275.10406	26.6
290.12772	23.8
303.09796	1.7
316.10709	10.6
331.12939	3.9
334.11731	16.5
349.14084	100.0
367.10391	6.5
373.13156	7.1
378.18127	1.4
420.59952	1.0
484.55612	1.0
507.21552	1.2
531.15210	2.0
617.26398	9.3
693.27942	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07859	0.5
59.01098	1.0
59.01380	12.5
62.31406	0.5
70.62720	0.6
71.01376	6.7
83.91879	0.5
85.02956	0.6
88.98791	1.0
89.02440	12.5
93.03456	2.9
96.28711	0.5
96.95995	4.7
99.08149	1.1
100.83027	0.5
101.02447	8.9
112.18616	0.7
112.71236	0.5
113.02462	4.1
119.03475	7.1
119.04971	0.6
127.07658	2.3
129.09183	0.7
141.09261	0.8
145.08705	44.4
163.04120	0.7
173.04553	7.9
180.93221	0.7
187.09825	1.1
191.05661	13.3
193.05026	0.9
226.06372	4.2
241.08736	13.3
253.08763	0.7
280.07358	2.2
295.09799	2.9
300.02856	5.0
307.14017	100.0
339.08780	1.4
357.09732	9.0
407.50146	0.7
514.52649	0.7
519.15253	2.5
531.15155	0.8
595.13190	1.3
633.17841	1.2
672.23907	0.7
693.20306	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07859	0.5
59.01098	1.0
59.01380	12.5
62.31406	0.5
70.62720	0.6
71.01376	6.7
83.91879	0.5
85.02956	0.6
88.98791	1.0
89.02440	12.5
93.03456	2.9
96.28711	0.5
96.95995	4.7
99.08149	1.1
100.83027	0.5
101.02447	8.9
112.18616	0.7
112.71236	0.5
113.02462	4.1
119.03475	7.1
119.04971	0.6
127.07658	2.3
129.09183	0.7
141.09261	0.8
145.08705	44.4
163.04120	0.7
173.04553	7.9
180.93221	0.7
187.09825	1.1
191.05661	13.3
193.05026	0.9
226.06372	4.2
241.08736	13.3
253.08763	0.7
280.07358	2.2
295.09799	2.9
300.02856	5.0
307.14017	100.0
339.08780	1.4
357.09732	9.0
407.50146	0.7
514.52649	0.7
519.15253	2.5
531.15155	0.8
595.13190	1.3
633.17841	1.2
672.23907	0.7
693.20306	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24018	0.2
55.01870	0.4
57.97561	1.3
59.01390	0.4
63.59523	0.2
69.03442	0.3
72.67939	0.2
73.13211	0.2
83.05017	0.5
85.02957	1.7
113.02441	100.0
138.67876	0.2
154.81120	0.2
173.93376	0.3
277.21918	0.4
315.49295	0.2
355.22177	0.3
364.93542	0.2
365.13354	0.3
575.71259	0.3
614.92468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68680	1.5
59.01384	21.4
59.81506	1.4
71.01385	13.5
74.39797	1.5
85.02944	3.9
89.02431	15.5
95.02991	1.6
97.02912	2.2
101.02442	12.5
101.42075	1.7
113.02425	8.2
119.03499	3.8
143.03360	1.9
145.33344	2.0
182.07375	1.7
183.13899	65.1
185.52521	1.6
196.03796	1.8
235.08073	3.3
251.54041	1.9
277.21710	10.9
295.19485	3.3
295.22809	100.0
310.21442	2.0
397.13602	39.1
415.14615	30.3
494.43814	1.9
531.89764	2.1
649.23029	1.9
693.37097	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
58.76844	0.5
59.01103	0.9
59.01384	17.4
63.03635	0.5
69.03446	0.9
71.01379	10.2
73.02937	1.0
75.35427	0.5
82.75975	0.5
83.01383	0.8
85.02950	2.6
87.00874	1.2
89.02435	11.9
93.90344	0.5
95.31617	0.6
97.02959	1.2
99.00848	0.8
101.02449	11.4
110.70690	0.6
113.02468	5.1
113.09704	0.9
119.03507	3.0
125.02428	3.6
137.00929	0.6
139.77472	0.5
143.03532	0.7
160.71761	0.5
161.04523	0.8
174.32541	0.6
179.05643	0.7
192.14558	0.5
195.13905	22.6
235.08208	2.2
268.03793	2.4
269.23474	0.5
277.21774	19.9
283.06146	8.2
293.21198	0.7
295.22815	100.0
356.09729	0.7
377.68451	0.7
397.09271	0.7
397.13550	21.7
415.14645	28.3
591.37848	1.2
633.39117	2.3
641.57532	0.6
693.37347	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96925	0.6
53.29321	0.7
55.13067	0.7
59.01097	1.2
59.01381	24.9
63.75128	0.6
69.03432	0.8
71.01369	12.8
72.99311	1.0
73.02932	3.2
76.80862	0.7
78.95905	0.9
83.01390	1.0
85.02947	2.9
87.00891	1.3
89.02440	18.1
95.01396	1.4
97.02927	2.9
101.02441	16.3
111.08130	0.9
113.02422	8.3
119.03505	3.7
125.02401	5.2
131.03477	0.7
139.11351	0.8
143.03502	1.7
155.10770	3.4
161.04596	1.2
179.05602	0.9
183.10313	20.7
183.13908	51.7
211.13319	1.1
221.06627	1.0
235.08282	4.2
245.01476	0.8
277.21671	9.1
295.22818	100.0
397.13528	46.8
415.14645	28.9
461.08148	0.9
496.80957	0.9
504.11578	0.9
557.49304	0.8
693.37231	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94685	0.4
57.03462	0.6
59.01100	1.0
59.01380	15.5
61.80907	0.4
63.30439	0.5
66.44659	0.4
67.07665	0.4
69.03436	0.6
71.01376	8.9
72.99307	0.6
73.02940	0.7
74.72005	0.5
74.92191	0.5
75.39175	0.5
81.03451	0.5
83.01402	0.8
83.43867	0.6
85.02948	1.0
87.00871	1.2
89.02441	13.0
97.02918	0.8
101.02438	9.3
102.21305	0.5
113.02454	6.4
113.09738	1.2
119.03524	1.2
123.40681	0.6
124.69535	0.5
125.02409	2.0
143.03529	0.8
161.04568	1.2
171.10225	4.9
179.05659	1.2
179.14429	0.7
191.88353	0.5
195.13927	19.3
221.06647	0.7
222.06610	0.5
235.08235	1.2
277.21732	26.0
283.06143	0.6
294.51532	0.6
295.22809	100.0
305.08948	0.6
397.13544	24.8
415.14590	24.4
693.37054	20.6
693.48700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43412	1.1
57.03454	1.8
57.19884	1.0
59.01382	34.4
71.01372	19.1
73.02959	2.3
77.11599	1.0
83.01383	1.9
85.02956	1.8
87.00863	2.0
89.02433	32.7
89.02960	2.0
95.01357	1.3
97.02934	2.2
101.02435	24.8
113.02419	7.3
119.03493	4.9
119.13865	1.1
122.11239	1.2
125.02438	6.2
125.09694	1.5
143.03589	1.8
160.12932	1.3
161.04488	4.4
161.24626	1.2
171.10266	45.2
179.05536	2.1
196.38258	1.2
235.08276	6.4
253.09131	2.2
277.21732	71.5
295.22803	100.0
397.13519	72.4
415.14584	36.7
555.98541	1.4
693.37128	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17535	1.5
56.73857	1.5
59.01382	44.5
71.01382	28.1
73.02953	4.1
78.95908	3.4
83.01368	2.6
85.02952	2.3
87.00857	3.3
89.02442	40.1
89.69139	1.7
95.26947	1.7
97.02939	2.3
101.02448	30.4
113.02423	11.8
118.18485	2.0
119.03469	7.8
121.81979	1.7
125.02423	10.6
143.03535	2.1
144.22319	1.8
150.58176	1.7
152.99599	3.2
161.04555	3.4
171.10260	49.1
221.06555	3.9
235.08191	8.7
251.44464	2.0
277.21735	76.1
295.22797	85.9
295.26031	3.9
397.13525	100.0
415.14502	43.8
448.24057	1.9
693.37164	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77546	0.9
61.47114	1.1
101.03745	1.1
116.92867	1.7
130.19424	1.1
135.77014	1.3
145.03464	1.1
151.06165	1.3
152.83485	1.3
153.12880	11.2
155.10760	5.4
159.29292	1.4
179.14989	1.3
197.11853	27.4
215.12903	100.0
268.15094	1.4
277.21674	1.9
279.23318	5.0
292.67416	1.7
297.24402	23.2
373.25015	1.8
395.20547	2.4
407.21188	1.5
608.37311	1.4
633.44122	9.6
688.39563	1.6
693.33002	1.4
693.46906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39888	0.1
55.43083	0.2
55.81317	0.2
56.24412	0.1
59.01382	0.3
67.79704	0.2
70.33352	0.2
72.33264	0.2
85.02938	2.6
87.00870	1.1
93.03461	0.8
96.01752	0.2
102.05592	1.0
111.04496	0.3
113.82423	0.2
118.66827	0.2
125.58663	0.2
127.03986	1.1
135.04520	0.3
164.04796	0.2
173.04503	0.4
174.04045	0.2
179.03575	0.3
190.02722	0.2
191.05634	100.0
205.05060	0.4
206.05453	0.2
223.06113	0.2
340.11969	2.3
477.37247	0.2
502.17349	1.4
520.17621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60117	0.2
54.82375	0.2
59.01381	0.4
60.65561	0.2
68.14942	0.3
69.90085	0.2
85.02951	2.9
87.00853	0.5
93.03424	0.5
110.71262	0.3
127.03990	0.6
135.04498	0.3
141.82246	0.3
173.04454	1.0
191.05629	100.0
199.88858	0.2
285.60349	0.3
325.09067	0.4
340.11890	2.4
502.17181	1.1
608.47559	0.3
694.23120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19526	0.3
61.98833	100.0
92.23133	0.5
129.11761	0.4
138.93098	0.4
323.88937	0.4
350.07184	0.4
374.45630	0.4
403.81772	0.4
432.41861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34324	0.3
74.12221	0.3
75.42058	0.3
93.03463	0.5
95.06989	0.4
106.46088	0.3
106.80736	0.3
135.04497	0.3
150.38701	0.3
161.02423	1.8
173.04520	0.5
173.76816	0.3
178.37708	0.3
179.03491	1.4
191.05629	100.0
192.06000	1.4
198.50284	0.3
213.73805	0.4
214.68597	0.3
267.06677	0.7
267.56256	0.4
310.10913	6.7
325.13235	19.4
340.15546	15.1
353.08838	25.3
436.58234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34324	0.3
74.12221	0.3
75.42058	0.3
93.03463	0.5
95.06989	0.4
106.46088	0.3
106.80736	0.3
135.04497	0.3
150.38701	0.3
161.02423	1.8
173.04520	0.5
173.76816	0.3
178.37708	0.3
179.03491	1.4
191.05629	100.0
192.06000	1.4
198.50284	0.3
213.73805	0.4
214.68597	0.3
267.06677	0.7
267.56256	0.4
310.10913	6.7
325.13235	19.4
340.15546	15.1
353.08838	25.3
436.58234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56459	0.3
51.06296	0.3
54.46434	0.3
61.56484	0.3
63.65886	0.3
63.84212	0.3
74.32798	0.3
85.02917	1.2
87.00891	0.3
93.03437	0.7
97.31469	0.4
127.03964	0.6
135.04552	0.5
149.65387	0.3
161.02448	1.4
173.04573	0.6
179.03537	0.8
179.46503	0.3
191.05634	100.0
192.06047	0.4
241.08641	0.4
261.59628	0.4
267.06607	0.6
310.10889	7.2
325.13245	17.7
340.15591	14.8
353.08807	23.9
691.55402	0.4
694.21143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46492	0.3
74.07657	0.3
74.93685	0.3
79.26083	0.3
87.31444	0.4
95.90055	0.4
111.04498	0.6
134.03737	0.8
135.04529	29.3
137.02414	0.6
147.63710	0.4
152.02039	0.4
155.03499	1.8
161.02441	3.6
173.04559	3.4
175.17252	0.4
179.03513	63.2
191.05632	100.0
220.09906	0.6
310.10800	1.4
325.13232	3.9
340.15524	2.1
353.08832	75.9
700.23499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69975	0.7
56.39968	0.6
65.56894	0.6
71.39210	0.7
73.02934	0.9
78.95897	0.9
79.38477	0.7
99.92590	3.1
116.92855	100.0
117.01923	4.9
138.69006	0.7
152.99541	0.8
248.59557	0.8
576.57825	0.9
694.45276	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80048	0.3
55.84189	0.3
57.49260	0.4
60.11246	0.4
93.46053	0.4
94.12183	0.4
101.06095	0.5
129.05579	100.0
146.45612	0.4
190.46796	0.4
192.09590	0.4
287.98090	0.5
596.23413	0.5
694.47681	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
70.35534	0.3
71.27745	0.2
77.32174	0.2
77.85378	0.2
83.01427	0.3
83.63396	0.2
84.52509	0.2
85.02947	1.3
87.00871	0.3
87.80502	0.3
99.19593	0.3
101.55106	0.3
127.04032	0.4
135.04507	2.1
160.01686	0.3
161.02443	3.8
173.04622	1.0
175.03996	2.9
177.05574	0.7
179.03477	6.7
191.05621	100.0
192.06010	1.1
193.05014	1.7
214.59984	0.3
221.04587	2.5
251.05664	1.5
281.06702	2.6
341.08749	5.2
353.08810	26.1
354.09000	0.4
473.16635	3.6
575.60956	0.3
695.17841	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73306	0.8
59.01379	1.2
75.32504	1.0
75.88167	1.0
80.52341	1.0
85.02946	1.6
93.03436	8.7
111.04472	1.9
113.02466	1.4
135.04514	37.8
137.02472	5.1
155.03526	7.6
161.02463	7.3
163.04018	1.3
166.68660	1.2
173.04541	90.5
179.03496	86.2
191.05632	76.5
191.07397	2.3
281.06741	1.7
294.08203	1.1
341.08890	13.3
353.08817	100.0
635.16870	1.5
695.18018	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62221	1.1
59.01369	1.9
66.47001	1.3
67.17304	1.3
71.01390	2.2
80.13270	1.5
84.77472	1.2
86.83660	1.2
93.03449	26.3
96.99329	2.5
104.33395	1.5
106.34702	1.7
111.04570	3.0
119.04995	9.1
120.65797	1.5
131.04993	2.1
134.03706	9.8
137.02441	5.9
143.05002	12.5
155.03520	3.0
158.83733	1.4
163.03975	7.8
173.04546	100.0
190.02711	1.4
191.05565	2.1
193.05046	20.4
211.07664	2.9
237.09245	7.3
239.10846	1.5
265.08759	29.1
309.07632	2.8
327.08777	98.4
365.38428	1.5
367.10379	43.7
381.44046	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.0
61.59791	13.0
71.01388	25.5
72.99304	14.7
73.23868	12.5
76.02197	13.2
77.49882	13.0
79.29563	14.6
85.87263	13.3
89.02422	65.0
96.95988	24.1
101.02447	25.1
113.02436	18.1
115.03969	33.8
128.21240	13.0
134.03755	23.1
164.04572	21.0
193.05017	32.5
197.27483	13.3
267.52014	14.2
501.17441	83.4
695.21332	100.0
695.32294	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.0
61.59791	13.0
71.01388	25.5
72.99304	14.7
73.23868	12.5
76.02197	13.2
77.49882	13.0
79.29563	14.6
85.87263	13.3
89.02422	65.0
96.95988	24.1
101.02447	25.1
113.02436	18.1
115.03969	33.8
128.21240	13.0
134.03755	23.1
164.04572	21.0
193.05017	32.5
197.27483	13.3
267.52014	14.2
501.17441	83.4
695.21332	100.0
695.32294	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.0
61.59791	13.0
71.01388	25.5
72.99304	14.7
73.23868	12.5
76.02197	13.2
77.49882	13.0
79.29563	14.6
85.87263	13.3
89.02422	65.0
96.95988	24.1
101.02447	25.1
113.02436	18.1
115.03969	33.8
128.21240	13.0
134.03755	23.1
164.04572	21.0
193.05017	32.5
197.27483	13.3
267.52014	14.2
501.17441	83.4
695.21332	100.0
695.32294	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.0
61.59791	13.0
71.01388	25.5
72.99304	14.7
73.23868	12.5
76.02197	13.2
77.49882	13.0
79.29563	14.6
85.87263	13.3
89.02422	65.0
96.95988	24.1
101.02447	25.1
113.02436	18.1
115.03969	33.8
128.21240	13.0
134.03755	23.1
164.04572	21.0
193.05017	32.5
197.27483	13.3
267.52014	14.2
501.17441	83.4
695.21332	100.0
695.32294	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72608	2.2
58.32370	1.8
64.66962	2.0
68.33714	1.7
71.65331	2.3
74.28819	2.4
78.95901	41.2
92.22477	2.2
96.95987	2.7
96.96904	2.5
99.92574	5.0
100.93294	2.6
115.92026	10.0
116.92847	25.0
150.98007	4.9
152.99628	19.3
164.90434	2.4
178.88399	4.1
179.89183	24.1
180.89989	24.4
196.89488	27.6
205.90811	8.0
206.91563	2.8
221.90257	2.5
224.95102	3.5
235.91756	8.0
236.92632	3.5
259.02179	3.0
279.23340	15.7
324.94254	8.4
499.15576	2.7
574.71814	2.3
630.62421	2.6
659.19409	7.7
667.77954	2.3
695.21448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	40.7
83.70071	2.2
96.96896	3.3
99.92632	4.0
100.93376	9.8
105.01311	2.8
115.92054	11.6
116.92861	24.4
131.83086	2.9
152.99550	16.6
164.90561	3.4
168.83894	3.4
178.88353	3.4
179.89227	18.1
180.90024	22.8
181.90794	16.7
187.12245	2.7
196.89526	23.8
200.84198	3.1
205.90807	5.1
208.89410	2.8
210.50775	3.2
221.90256	4.7
235.91920	3.5
236.92647	5.9
279.23254	15.8
695.21454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	43.7
93.92360	3.2
100.93368	5.9
115.92080	13.5
116.92876	21.5
119.03538	2.5
126.78446	2.5
152.99565	16.0
164.90463	3.4
178.88507	3.0
179.89162	21.9
180.90005	28.3
181.90758	3.2
194.15375	2.9
196.89516	21.7
196.95399	3.2
203.21156	2.9
205.90823	4.8
224.94960	3.9
235.91803	5.6
279.23282	11.3
324.94128	5.5
405.17099	2.8
486.77017	2.8
597.29095	3.8
612.07715	3.9
659.19452	3.9
677.20337	3.4
695.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61570	1.6
61.06675	1.7
61.40929	1.5
63.93502	1.5
74.23051	1.8
78.95895	34.5
87.37941	1.7
96.95967	3.4
96.96960	2.1
99.92573	4.5
100.93341	3.7
115.92061	11.4
116.92871	23.3
150.97910	2.0
152.01974	1.8
152.99573	18.0
164.90584	2.3
178.88432	3.8
179.89204	13.9
180.90028	18.8
181.90778	11.4
196.89528	25.2
205.90739	8.2
206.91653	2.4
235.91904	2.0
241.01260	2.2
279.23209	13.3
324.94678	2.1
341.94559	2.4
433.03949	2.0
437.06070	2.0
516.15997	2.5
595.28131	3.1
597.30084	2.7
656.40564	2.2
659.19360	4.5
677.20190	3.3
695.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60365	1.1
61.41714	1.3
77.85900	1.4
78.95453	2.4
78.95893	42.2
96.95969	1.4
96.96965	4.7
99.31705	1.1
99.92563	8.4
100.93343	8.9
115.92062	15.3
116.92841	25.0
119.49361	1.0
130.50320	1.1
150.97981	2.6
152.99547	13.5
163.89668	2.2
164.90453	4.4
178.88423	7.1
179.89265	14.7
180.89977	25.7
181.90790	12.2
184.95479	1.6
186.41771	1.2
196.89474	34.1
196.95526	1.1
205.90750	9.5
206.91495	5.0
218.91467	1.5
219.92383	1.7
221.90271	4.6
224.95018	1.5
225.19728	1.2
232.93158	1.2
235.91829	4.9
236.92599	5.9
259.02170	1.7
279.23398	17.1
280.23492	1.6
324.94156	2.1
388.66125	1.2
439.73367	1.2
443.33514	1.5
499.15619	2.4
505.13626	1.3
516.16083	1.6
528.48175	1.3
595.29462	1.8
622.97949	1.4
659.19604	8.3
677.19788	2.1
695.21490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99563	1.9
78.95902	48.3
80.18774	1.9
96.95975	2.4
96.96931	4.4
99.00884	2.6
99.92581	4.1
100.93348	4.1
115.62185	2.2
115.92070	10.5
116.92889	21.3
116.93606	3.1
119.74642	2.0
129.06337	2.7
150.98045	2.3
152.99564	16.4
163.89763	3.4
177.45166	2.8
179.89316	17.2
179.90593	2.3
180.90005	15.8
181.90810	10.2
196.89534	31.3
205.90776	4.2
213.32671	2.3
235.91908	3.1
236.92633	9.7
241.01202	3.7
279.23251	20.8
499.15488	3.3
595.29248	3.5
597.29822	4.7
659.19324	5.4
695.21478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91263	0.7
59.01382	0.9
60.99307	15.4
66.98966	0.9
71.59917	0.8
81.93542	0.8
87.00880	11.5
88.00392	3.9
88.01221	1.0
88.04039	1.0
88.98798	100.0
89.02437	78.3
105.50664	0.8
222.42586	0.9
309.94153	0.9
322.25269	1.1
630.59906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59798	0.9
51.98915	0.9
59.01379	1.2
71.01376	1.9
73.02931	1.3
74.01087	1.1
85.02952	1.6
87.00870	10.0
99.11555	1.1
101.02408	2.3
106.32382	1.2
113.02441	2.4
123.65182	1.2
128.63680	1.3
147.04491	6.7
149.02425	27.9
164.04796	100.0
179.07169	13.5
190.02727	9.9
205.05090	16.5
208.03748	2.9
223.06131	96.5
376.12115	1.2
607.20386	66.4
649.78204	1.6
695.25842	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76811	0.8
57.24364	0.8
59.01383	8.7
61.98818	1.4
71.01384	7.3
72.99273	1.3
73.02954	1.1
73.97612	1.0
76.81647	1.1
82.35707	0.9
85.02935	2.3
87.00857	1.2
89.02438	5.6
92.23020	1.3
96.96003	1.2
101.02434	7.0
113.02445	5.7
115.04039	1.0
132.23906	1.1
135.73038	1.1
147.04474	1.2
149.02444	14.9
149.06038	1.4
161.04515	2.4
164.04800	77.6
165.01851	1.8
179.03540	1.4
179.07115	13.9
180.04286	2.2
184.75737	1.2
190.02834	8.4
195.06639	6.3
197.04614	1.7
198.60100	0.9
205.05067	22.3
208.02078	1.0
208.03772	8.1
211.09726	1.9
223.06134	100.0
311.07660	2.5
333.20721	1.3
399.36221	1.1
469.17313	7.4
607.20471	44.3
635.30719	1.4
695.21667	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35593	0.5
57.51517	0.6
59.01363	0.7
60.48604	0.6
60.99304	12.0
61.98820	1.6
63.84214	0.6
73.23570	0.5
78.83284	0.5
85.34693	0.6
87.00859	1.6
88.00423	0.8
88.98794	100.0
89.02434	20.8
100.52849	0.7
143.24951	0.7
175.52003	0.7
430.42099	0.7
458.99304	0.7
459.05984	0.7
500.15631	0.8
593.66296	0.7
695.32434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59798	0.9
51.98915	0.9
59.01379	1.2
71.01376	1.9
73.02931	1.3
74.01087	1.1
85.02952	1.6
87.00870	10.0
99.11555	1.1
101.02408	2.3
106.32382	1.2
113.02441	2.4
123.65182	1.2
128.63680	1.3
147.04491	6.7
149.02425	27.9
164.04796	100.0
179.07169	13.5
190.02727	9.9
205.05090	16.5
208.03748	2.9
223.06131	96.5
376.12115	1.2
607.20386	66.4
649.78204	1.6
695.25842	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70084	0.2
59.01378	0.5
59.91817	0.3
69.53881	0.3
70.55843	0.3
71.01363	0.3
75.48925	0.3
85.02966	2.3
87.00861	0.6
89.02436	0.6
90.06387	0.3
93.03473	1.2
96.67695	0.3
99.05122	0.3
101.02422	0.5
111.04481	0.5
127.03986	0.7
128.97144	0.4
153.01862	0.3
173.04544	4.2
191.05630	100.0
273.54126	0.3
353.10916	15.4
411.42075	0.3
695.22723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37477	0.3
59.01379	3.3
68.13992	0.4
71.01369	2.0
73.71241	0.3
83.31582	0.3
85.02948	3.5
85.20017	0.3
86.43182	0.3
87.00888	0.6
89.02439	4.0
91.39680	0.3
93.03433	5.0
93.49889	0.3
96.84131	0.4
97.06849	0.4
101.02435	3.2
103.14793	0.3
111.04492	1.3
113.02435	1.3
115.06248	0.3
119.03498	2.9
120.12762	0.3
127.04035	1.2
137.02419	0.5
155.03494	1.7
173.03011	0.4
173.04547	21.0
191.05626	100.0
353.10922	76.6
356.90576	0.4
695.22888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09084	0.2
58.43070	0.2
59.01387	0.4
71.01353	0.8
79.16864	0.2
82.58438	0.2
83.86000	0.2
85.02948	2.6
87.00868	0.3
89.02449	0.5
93.03452	1.3
101.02435	0.5
111.04476	0.3
127.03996	1.0
147.27696	0.2
147.28882	0.2
155.98288	0.2
173.04561	2.7
191.05630	100.0
267.89035	0.2
353.10934	8.8
695.22809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35353	0.4
53.95600	0.4
59.01389	0.5
62.10162	0.5
63.74351	0.4
66.17477	0.4
68.66553	0.5
71.01380	1.0
72.83385	0.5
83.96638	0.6
85.02925	0.8
92.22520	0.6
94.35563	0.6
97.45158	0.5
101.02407	1.1
108.01439	0.8
108.02165	19.4
109.02955	14.7
113.02454	2.0
121.02973	0.9
123.04546	0.5
129.24683	0.5
151.04028	1.1
152.01155	49.1
153.01947	25.6
153.02896	0.5
160.12657	0.6
162.20627	0.5
163.04059	0.9
165.01926	2.2
172.99092	0.5
173.27394	0.5
197.04651	0.5
266.53186	0.5
277.77182	0.5
315.07272	100.0
482.32623	0.6
590.62085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50053	0.2
51.90778	0.2
53.54663	0.2
58.26887	0.2
58.34261	0.2
59.01385	0.3
59.45885	0.2
62.92432	0.2
64.92913	0.2
71.01381	1.8
73.02950	0.2
85.02949	1.1
93.03447	19.6
101.02449	1.5
113.02448	1.2
137.02448	100.0
141.89644	0.2
157.61922	0.2
161.04552	0.3
191.01999	0.3
240.87856	0.3
299.07761	31.9
351.96954	0.4
535.12201	0.3
536.40283	0.2
536.49823	0.3
695.20135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41849	0.3
54.37722	0.4
58.07365	0.3
59.01375	0.9
61.52687	0.3
61.53012	0.3
64.99080	0.3
71.01366	2.1
73.02924	0.5
73.84077	0.4
76.16045	0.4
85.02930	1.2
92.22558	0.5
93.03461	2.1
101.02435	1.6
108.01424	0.7
108.02162	20.6
109.02956	13.6
113.02437	2.1
115.04025	0.4
135.04488	0.5
137.02444	6.8
151.03946	1.5
152.01152	48.8
153.01935	24.0
161.02425	0.7
163.04012	1.9
165.01900	1.8
173.04520	0.9
179.03523	2.3
191.05621	11.6
220.00430	0.4
221.04572	0.6
230.37212	0.4
242.05988	0.6
243.06509	0.9
271.09744	0.8
298.85562	0.4
299.07727	2.8
306.12784	0.4
315.07254	100.0
318.44321	0.4
370.38358	0.4
695.18536	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
71.01358	1.5
71.48849	0.7
73.02927	0.9
77.56985	0.6
88.68744	0.6
90.91693	0.7
93.90584	0.7
101.02453	1.8
113.02435	1.1
121.02953	1.2
122.03748	10.9
122.04582	1.0
122.28277	0.8
129.05562	8.7
130.05905	1.7
145.03185	0.8
145.06770	0.7
146.03746	17.2
154.02773	1.0
161.06049	14.2
164.04796	16.5
165.05569	4.2
171.06662	0.8
176.04823	4.4
179.07147	100.0
180.04283	15.5
190.06416	2.6
191.07155	39.0
191.08939	1.6
195.06642	48.2
207.06618	3.4
221.78067	0.7
231.06686	0.7
235.28540	0.8
244.33160	0.8
312.10248	1.0
327.12350	5.6
334.15335	0.8
345.13406	5.2
360.12164	3.8
375.14539	86.9
386.64865	0.7
399.16678	6.3
458.35913	0.8
537.20001	19.2
695.27985	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.1
59.70249	1.0
63.96700	1.1
75.12095	1.1
107.58449	1.3
109.05470	1.4
120.89336	1.4
121.02962	1.2
146.03699	3.0
149.02429	10.9
150.03224	13.2
161.06061	2.8
164.04811	19.3
165.05559	51.2
179.07130	12.4
179.88734	1.2
180.04330	2.5
191.05666	1.3
195.06633	19.6
312.10104	41.7
327.09381	1.2
327.12384	79.1
375.14523	100.0
420.50116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
71.01358	1.5
71.48849	0.7
73.02927	0.9
77.56985	0.6
88.68744	0.6
90.91693	0.7
93.90584	0.7
101.02453	1.8
113.02435	1.1
121.02953	1.2
122.03748	10.9
122.04582	1.0
122.28277	0.8
129.05562	8.7
130.05905	1.7
145.03185	0.8
145.06770	0.7
146.03746	17.2
154.02773	1.0
161.06049	14.2
164.04796	16.5
165.05569	4.2
171.06662	0.8
176.04823	4.4
179.07147	100.0
180.04283	15.5
190.06416	2.6
191.07155	39.0
191.08939	1.6
195.06642	48.2
207.06618	3.4
221.78067	0.7
231.06686	0.7
235.28540	0.8
244.33160	0.8
312.10248	1.0
327.12350	5.6
334.15335	0.8
345.13406	5.2
360.12164	3.8
375.14539	86.9
386.64865	0.7
399.16678	6.3
458.35913	0.8
537.20001	19.2
695.27985	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03819	1.0
59.01384	15.3
61.98826	2.3
71.01376	7.6
73.02930	1.8
82.25735	1.0
85.02945	1.8
89.02453	9.3
101.02423	7.4
113.02421	5.8
119.03474	1.7
125.57077	1.1
149.02440	5.5
151.48994	0.9
163.03999	4.7
164.04759	11.4
165.01936	30.6
166.02750	1.1
172.63557	1.2
173.61989	1.1
175.00339	2.3
177.05576	1.7
179.03508	6.3
179.07220	1.8
180.04294	52.6
183.06624	1.7
190.01033	2.1
190.02739	38.8
194.05843	4.5
195.02994	1.3
195.06636	67.8
205.05075	100.0
207.02966	2.0
208.03905	1.8
210.05325	16.4
219.65211	1.2
222.05455	1.4
223.06165	14.2
225.07657	19.3
276.37344	1.3
401.12466	4.3
469.17203	88.3
639.97992	1.2
647.23572	6.7
695.25635	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88522	0.4
58.42090	0.5
67.01880	4.3
69.01229	0.5
96.95998	1.2
107.64169	0.5
109.78203	0.5
111.00872	100.0
114.68834	0.6
117.10026	0.6
123.99507	0.6
181.05049	1.9
195.06647	2.6
219.56276	0.5
242.86574	0.5
361.13364	0.7
375.06943	0.7
391.13892	2.5
406.16296	3.8
421.18735	14.8
583.24048	3.6
695.25409	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
70.24075	1.1
70.84984	1.0
71.01385	5.0
75.00829	1.2
79.81642	1.2
85.02951	1.6
89.02448	2.1
92.76789	1.1
101.02453	1.7
104.40794	1.2
113.02459	2.6
115.04018	1.5
137.02475	1.6
149.02509	2.0
164.04814	11.3
165.01950	29.8
175.00354	2.6
179.03511	6.8
179.07149	1.7
180.04295	55.3
190.02740	39.9
194.05888	2.4
195.02986	2.2
195.06641	55.1
197.40892	1.5
205.05070	88.2
207.06645	1.9
208.03801	1.7
209.04610	2.0
210.05344	15.1
223.06172	10.5
225.07683	20.9
239.94498	1.3
311.57208	1.4
327.17728	1.6
401.12518	1.9
428.75519	1.5
454.15027	2.9
469.17215	100.0
647.24219	1.8
695.14868	2.7
695.25427	44.9
695.35876	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
64.98936	1.2
66.30706	0.9
71.01379	1.2
79.05501	1.2
87.13582	1.0
101.02425	2.4
102.02412	1.1
105.12975	1.1
109.89069	1.3
139.43518	1.2
149.02446	7.2
160.05246	1.7
163.04053	1.6
164.04820	14.6
165.01923	33.5
175.00304	1.3
175.07724	1.8
179.03487	6.7
179.07036	1.7
180.02730	2.2
180.04288	55.8
190.02728	47.2
194.05795	2.5
195.02910	1.9
195.06641	70.6
205.05075	95.4
208.03668	1.4
209.04697	1.4
210.05322	16.5
223.06126	16.3
225.07684	25.6
259.14227	1.2
327.08789	1.5
329.13977	2.5
330.14371	2.7
342.11481	1.4
401.12372	4.2
415.00363	1.3
449.14328	1.8
467.95016	1.4
469.17209	100.0
518.09656	1.1
539.75275	1.2
647.23816	1.8
695.25598	59.7
703.89740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71600	1.3
59.01383	20.0
61.98810	2.3
68.81404	1.4
68.91191	1.5
71.01355	9.4
72.99256	2.9
77.94573	1.4
85.02966	2.8
89.02428	9.8
99.95077	1.5
101.02415	6.3
107.04964	2.7
113.02398	8.2
119.03439	2.2
133.76857	1.6
134.03703	2.3
135.04503	13.9
136.70944	1.4
149.02426	19.9
150.03203	2.4
152.01073	9.3
163.04005	23.9
164.04785	11.5
169.05023	3.3
175.99872	1.6
176.01172	28.8
177.01744	1.9
179.03493	2.8
191.03534	100.0
191.05263	3.7
193.01353	6.8
194.02205	2.4
197.04478	2.8
207.02933	8.3
208.03661	6.6
209.04483	8.6
216.07852	1.8
243.10498	1.9
253.93205	1.7
322.65082	1.6
352.07687	3.2
366.09695	2.2
367.10150	2.6
440.12735	2.0
455.09720	2.8
455.15616	72.0
512.53754	1.9
651.32220	2.5
695.25244	89.4
695.35999	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92735	1.1
59.01383	23.7
91.48888	1.3
93.03418	1.6
94.52209	1.6
96.96011	26.7
98.95580	3.4
121.48803	1.5
143.92322	1.7
146.03729	6.9
149.02437	2.8
149.09593	1.5
150.03217	24.7
161.06076	5.5
164.04761	13.0
165.05563	100.0
179.07143	19.2
180.04262	3.5
182.62874	1.4
186.42564	1.7
191.05652	9.5
195.06624	52.1
213.83560	1.3
299.08023	1.4
312.10059	8.2
327.12369	13.0
335.83414	1.6
341.10178	1.5
352.27805	1.5
367.10156	3.3
372.76810	1.5
375.14529	70.1
387.14359	2.6
417.15570	2.8
435.16953	1.8
500.31839	1.6
523.10364	1.9
561.00464	1.6
640.23877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31650	0.9
54.66182	1.0
59.01371	2.5
61.98854	1.7
68.72004	0.9
71.01382	1.4
87.00864	1.1
88.78573	1.1
95.28490	1.4
101.02436	2.3
117.62532	1.2
137.02460	1.0
149.02458	2.8
154.00851	1.1
164.04774	15.2
165.01915	34.1
165.05568	1.6
169.05196	1.4
175.00342	4.8
176.41534	1.2
176.45586	1.3
179.03520	9.8
179.07156	6.0
180.04288	58.4
190.02730	45.4
192.66481	1.0
194.05916	1.8
194.99055	1.1
195.02922	1.7
195.06654	60.9
205.05067	100.0
208.03850	1.8
209.04538	1.4
210.05385	14.7
223.06172	13.1
225.07713	20.5
312.49863	1.2
327.08759	2.1
342.11157	1.6
401.12491	5.0
469.17191	71.7
690.72552	1.3
695.25586	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.1
59.70249	1.0
63.96700	1.1
75.12095	1.1
107.58449	1.3
109.05470	1.4
120.89336	1.4
121.02962	1.2
146.03699	3.0
149.02429	10.9
150.03224	13.2
161.06061	2.8
164.04811	19.3
165.05559	51.2
179.07130	12.4
179.88734	1.2
180.04330	2.5
191.05666	1.3
195.06633	19.6
312.10104	41.7
327.09381	1.2
327.12384	79.1
375.14523	100.0
420.50116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07094	0.5
52.28109	0.5
54.20415	0.7
59.01381	3.9
59.54890	0.5
65.38445	0.5
71.01379	2.7
73.02930	2.7
89.02448	1.4
97.06580	1.1
101.02438	3.2
102.58485	0.6
102.94704	0.6
117.03471	1.4
119.04992	2.7
125.09715	23.8
127.36562	0.7
145.02953	100.0
146.26143	0.6
161.04637	0.8
163.03996	16.7
187.09772	45.4
189.05582	3.9
191.05649	2.9
296.83069	0.7
409.15079	79.9
417.28769	0.8
507.18744	10.7
600.34949	0.8
682.25061	0.7
695.26135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33729	5.0
77.18005	5.3
78.95920	10.3
86.20854	5.7
87.89109	5.1
88.23494	5.6
100.25998	6.7
107.70076	6.0
148.53552	6.9
185.57845	5.5
205.18272	5.6
206.91338	6.1
266.78027	7.3
275.80386	6.4
446.77734	6.5
695.30176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36867	0.5
56.19342	0.6
59.01377	11.6
62.92291	0.6
67.75744	0.6
71.01382	7.9
73.02931	0.8
77.52850	0.6
78.27484	0.6
85.02955	1.4
89.02443	13.5
93.03465	0.7
95.01404	1.0
99.08159	3.0
101.02434	10.0
113.02460	5.9
119.03500	8.1
119.48356	0.6
127.07630	2.9
130.08719	1.7
145.08708	42.9
161.04526	0.9
172.09787	4.7
173.04573	1.4
173.10101	1.0
177.02658	0.8
179.05632	1.1
183.68466	0.6
187.09706	1.3
191.05661	9.1
196.54958	0.6
202.24205	0.7
209.23543	0.7
250.04405	0.7
302.74689	0.8
307.14014	100.0
391.99506	0.8
466.31400	0.9
475.28577	0.7
695.20355	0.9
695.31812	1.4
718.08270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36867	0.5
56.19342	0.6
59.01377	11.6
62.92291	0.6
67.75744	0.6
71.01382	7.9
73.02931	0.8
77.52850	0.6
78.27484	0.6
85.02955	1.4
89.02443	13.5
93.03465	0.7
95.01404	1.0
99.08159	3.0
101.02434	10.0
113.02460	5.9
119.03500	8.1
119.48356	0.6
127.07630	2.9
130.08719	1.7
145.08708	42.9
161.04526	0.9
172.09787	4.7
173.04573	1.4
173.10101	1.0
177.02658	0.8
179.05632	1.1
183.68466	0.6
187.09706	1.3
191.05661	9.1
196.54958	0.6
202.24205	0.7
209.23543	0.7
250.04405	0.7
302.74689	0.8
307.14014	100.0
391.99506	0.8
466.31400	0.9
475.28577	0.7
695.20355	0.9
695.31812	1.4
718.08270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27965	0.6
59.01385	12.0
71.01378	7.5
83.01413	0.7
85.02943	2.5
87.00878	0.6
89.02448	13.2
91.92057	0.6
93.03489	0.9
95.72890	0.8
99.08157	3.1
100.61539	0.7
101.02449	10.8
113.02433	6.9
119.03489	7.1
127.07617	1.0
129.09230	0.7
141.09216	1.1
145.08702	47.0
161.04488	0.8
163.04019	0.8
173.04550	1.2
180.04271	2.9
187.09799	1.0
191.05656	12.1
195.06639	4.1
219.03175	0.7
226.06737	0.7
241.08733	1.2
263.30576	0.8
271.28113	0.6
307.14032	100.0
319.63116	0.7
321.15323	0.8
383.11078	0.8
473.53568	0.9
506.86099	0.7
572.76300	0.9
590.95966	0.7
695.20996	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60751	1.6
59.01386	23.9
61.98824	9.9
62.47714	1.5
65.42861	1.6
67.16489	1.9
71.01380	2.1
73.94019	1.9
79.69430	1.9
81.19429	2.1
84.34789	1.8
85.15679	2.2
86.55617	1.8
88.08073	1.8
94.14548	1.8
102.22108	2.1
110.25541	2.0
111.40547	2.1
113.02460	2.1
139.04036	2.4
152.99603	2.4
199.13426	17.9
211.50497	2.1
277.21756	100.0
279.23312	12.1
281.19205	2.3
297.28503	2.3
375.25418	3.0
389.26953	4.2
417.26291	3.6
447.28015	3.4
448.31586	2.3
585.12732	2.3
695.47028	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26617	0.2
50.30331	0.2
55.01889	0.3
57.45538	0.2
57.97565	1.1
59.01377	0.4
61.63077	0.2
62.90283	0.2
78.95903	0.3
79.04973	0.2
83.05014	0.5
85.02972	1.9
87.00858	0.4
109.59504	0.3
111.37363	0.3
113.02444	100.0
122.37147	0.3
279.23364	1.7
539.29602	0.3
583.59106	0.3
587.12030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83080	1.7
53.95598	1.7
56.78120	1.6
58.74840	2.0
72.99304	94.0
76.49800	1.9
78.95882	2.6
86.61221	1.9
101.95801	1.8
116.92847	26.7
123.04552	23.4
128.61983	2.0
135.04532	50.5
152.99532	2.2
179.03510	86.7
179.05022	4.6
193.70892	2.1
197.04582	97.5
208.15222	2.3
225.22241	2.9
255.23315	9.1
271.22797	3.4
281.94489	2.4
297.28284	2.6
304.17557	2.2
377.67307	2.4
397.13315	4.0
439.12070	2.2
509.84250	2.3
695.36584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.2
64.42613	0.7
65.45223	0.8
71.01384	12.4
73.02927	3.6
81.03472	1.0
85.02945	1.4
87.00884	1.7
89.02435	16.1
92.33973	0.8
97.02942	1.9
101.02437	11.7
113.02438	5.2
119.03481	3.6
125.02448	6.1
140.07784	1.0
142.84192	1.0
143.49284	0.9
144.53296	0.9
152.99570	1.0
155.10780	9.7
161.04546	1.9
171.10196	4.5
235.08215	4.1
272.21155	1.0
279.23322	18.8
297.24387	100.0
305.08710	1.0
397.13556	47.7
415.14612	18.8
695.38409	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	48.7
61.35002	1.5
71.01381	31.0
73.02944	16.3
83.01397	4.2
85.02946	20.4
87.00892	2.4
89.02438	8.4
92.22526	2.0
95.01373	2.9
97.02951	2.7
99.00863	2.4
101.02442	36.2
111.00865	4.0
113.02441	26.6
125.02470	3.4
130.54295	1.8
131.91559	1.7
143.03496	2.4
161.04549	7.4
162.99219	1.7
171.16852	2.1
279.23227	2.4
283.06088	2.0
285.28223	2.0
327.21878	2.7
447.33072	3.7
591.37543	52.3
602.62207	2.1
609.38519	45.0
651.39685	100.0
695.40070	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25722	1.4
53.26030	1.6
59.01392	17.9
67.18475	1.9
71.01374	13.9
79.27471	1.6
85.02985	2.2
89.02447	13.1
101.02436	11.5
106.96641	1.8
113.02453	4.5
155.10770	9.0
215.36253	1.8
235.08180	2.4
240.99509	1.9
241.25508	1.8
279.23352	16.3
297.21048	3.3
297.24399	100.0
375.31207	1.9
397.13553	44.9
408.99588	2.0
410.40298	2.6
415.14758	19.6
456.75555	2.0
477.91046	1.8
517.84045	2.0
695.38617	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
59.01382	47.0
59.86744	1.2
68.74566	1.4
69.03464	1.8
71.01374	29.5
73.02957	11.2
73.62313	1.2
80.98865	1.2
83.01384	6.4
85.02945	19.1
86.66200	1.2
89.02428	6.1
95.01367	1.8
99.00894	5.1
101.02436	30.4
111.00887	3.1
112.01663	2.1
113.02438	19.5
118.73310	1.4
120.03426	1.4
124.01657	3.1
125.02412	2.6
129.01918	1.6
141.01888	1.7
143.03539	1.9
159.03041	2.2
161.04556	3.3
229.56837	1.7
326.93176	1.7
447.33322	5.5
591.37604	52.5
609.38593	49.6
651.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99918	0.7
55.01871	0.8
59.01102	1.5
59.01382	35.3
71.01379	21.9
72.99291	0.9
73.02579	0.8
73.02941	5.4
73.93203	0.7
81.03466	1.2
83.01376	3.2
85.02953	4.6
86.96362	0.8
87.00873	4.2
89.01878	1.1
89.02438	30.7
95.01386	1.4
97.02964	5.6
99.00869	1.2
101.02439	24.1
113.02451	11.6
116.92835	1.5
119.03473	6.3
125.02444	7.5
143.03500	3.7
161.04547	3.4
167.03407	0.9
179.03561	1.6
179.05591	1.7
197.04428	0.9
221.06703	1.3
235.08247	7.6
279.23264	1.3
297.28009	100.0
304.13507	0.9
305.08624	1.4
318.01160	0.9
323.09625	1.1
324.74918	0.8
329.14221	0.8
397.13550	93.0
409.49738	0.9
415.14618	24.7
506.74307	0.9
541.52802	0.8
618.21075	0.9
695.42407	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49875	1.4
59.01384	23.3
62.38457	1.4
71.01378	7.3
73.02950	2.7
75.00841	2.4
83.44070	1.7
88.44044	2.2
89.02446	3.1
89.08967	1.5
92.22511	3.3
101.02435	6.2
113.02441	12.3
173.46413	1.8
210.24365	1.7
251.20175	47.5
257.21048	1.8
265.25400	2.9
277.21793	15.9
279.23303	8.1
281.24884	97.4
295.26453	100.0
295.29819	3.4
305.24829	2.8
323.25961	31.6
335.26208	2.7
353.26987	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13015	0.4
61.76509	0.4
61.98831	100.0
63.61918	0.4
65.64310	0.4
65.98575	0.4
81.14166	0.4
171.78682	0.5
181.25615	0.5
201.44711	0.4
246.66451	0.5
269.04144	0.4
283.06204	2.5
284.06436	4.4
285.06766	2.7
286.06952	0.9
418.12283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41926	0.3
61.98834	100.0
62.04903	0.3
79.06398	0.4
88.00298	0.3
91.14177	0.3
92.23087	0.4
140.05814	0.3
141.64035	0.3
150.55190	0.3
157.37282	0.4
226.24867	0.4
241.86717	0.4
268.04016	0.5
269.04102	0.4
283.06171	1.9
284.06415	2.9
285.06766	2.1
286.07043	0.8
315.11667	0.4
319.20935	0.4
340.47354	0.4
467.47729	0.5
491.01401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31503	0.4
59.65549	0.4
61.14774	0.5
61.98832	100.0
68.02754	0.4
70.47803	0.4
70.49711	0.4
73.89296	0.4
75.04986	0.5
113.47205	0.5
238.74371	0.5
268.03650	0.8
283.06082	3.7
284.06439	6.2
285.06805	3.3
286.06952	2.1
360.65750	0.6
376.68500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76787	1.5
59.01102	3.2
59.01383	63.8
64.15157	1.5
68.00292	1.5
69.03466	1.7
71.01379	31.3
80.57189	1.7
83.01352	2.2
85.02946	2.1
89.02442	37.6
95.05061	1.9
97.02940	9.3
99.04531	15.9
101.02443	22.2
101.06068	3.7
111.00764	1.7
113.02458	10.1
115.03991	27.4
119.03491	11.6
119.04300	1.8
175.06256	1.7
245.74034	1.9
260.07089	1.8
262.08795	8.4
279.10873	72.3
288.06650	8.2
290.08231	8.6
303.37729	1.9
305.06937	3.4
306.07791	41.5
316.06448	2.5
318.07736	37.4
336.08658	2.4
377.14542	100.0
434.12485	13.9
448.14136	13.8
476.13489	13.5
696.22650	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69876	1.4
59.01381	55.8
69.02480	1.5
70.40206	1.5
71.01373	29.4
78.64847	1.6
83.05022	3.3
85.02946	2.7
89.02440	35.0
97.02931	12.4
99.04511	13.1
101.02437	24.5
101.06071	3.9
111.04504	2.3
113.02443	8.4
113.06113	3.7
115.03990	28.5
117.05564	2.6
119.03506	19.1
157.05029	3.3
169.06630	2.0
188.03513	2.3
206.17209	1.7
208.63367	2.0
262.08749	9.9
278.08292	2.0
279.10849	56.9
279.54361	2.0
288.06686	6.6
290.08160	13.2
306.07770	32.8
318.07745	32.6
369.95804	1.7
371.76675	1.9
377.09842	3.7
377.14584	100.0
434.12491	12.2
448.14053	11.5
476.13562	13.3
696.22974	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	5.3
97.06409	2.0
128.35277	2.4
171.35187	2.2
211.18315	2.4
286.08807	2.7
316.09830	4.0
334.10876	16.0
345.09976	4.6
347.08029	2.7
348.08780	11.5
349.13385	8.8
360.12421	5.3
362.10532	31.7
363.11185	88.1
364.08127	8.9
364.15552	2.8
377.12772	34.9
392.15149	53.3
393.08609	13.9
410.41385	3.2
436.14136	55.0
534.17877	10.0
568.23077	2.6
598.19391	100.0
696.23212	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62618	0.5
69.01262	0.4
69.96937	0.4
71.01288	0.4
134.03807	2.7
149.06088	5.0
160.27985	0.4
178.02742	5.5
193.05060	14.2
224.04764	0.5
236.17470	0.5
252.04329	0.7
267.06641	6.5
282.09061	0.8
303.17664	0.5
310.10895	41.5
325.13239	98.7
326.14005	1.7
340.15567	100.0
355.10257	3.2
398.08945	0.5
509.67838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25433	0.3
55.37155	0.3
61.98832	100.0
74.75307	0.3
76.50280	0.4
95.83537	0.3
107.03783	0.4
113.02441	4.8
114.02732	0.5
155.93106	0.4
193.67561	0.4
227.54175	0.4
237.65723	0.4
262.74567	0.4
373.13400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.1
75.00878	2.5
79.26347	1.5
90.71371	1.5
94.02993	18.8
103.00382	15.7
104.00750	1.5
122.00613	1.5
124.04033	100.0
134.93472	1.5
164.32886	1.8
169.61197	1.8
180.76936	1.5
191.68752	1.5
272.09354	36.6
332.68732	1.5
339.56030	1.8
370.54733	1.9
571.95929	1.8
701.30994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80880	1.9
56.99934	1.8
57.50312	1.9
59.01386	26.8
70.87456	2.0
70.91328	2.5
71.01377	18.4
85.02958	3.1
89.02431	32.5
97.02972	4.8
101.02435	25.8
113.02436	14.0
119.03433	4.7
125.02442	9.3
143.03435	2.8
163.58765	2.3
235.08200	5.8
254.19814	2.8
255.23320	100.0
287.07297	2.7
397.08838	3.8
397.13568	80.6
415.14636	16.0
653.37585	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99493	0.7
59.10469	0.6
68.80733	0.6
71.01394	0.8
72.99304	3.9
83.25584	0.6
85.02964	1.2
99.00880	1.6
101.02448	1.0
113.02425	4.8
113.99599	5.1
115.00361	3.4
123.04451	0.8
127.00333	1.2
129.01962	1.6
157.01421	4.8
169.01390	0.9
174.01678	14.6
175.02505	0.8
179.03535	1.5
197.04584	12.1
277.05682	21.6
337.07813	100.0
359.09845	6.5
532.59320	0.7
547.08185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46851	0.5
57.78512	0.5
59.01377	3.2
72.99297	2.3
75.00872	4.2
82.45840	0.5
87.00864	3.6
88.40401	0.5
94.02989	2.8
103.00369	1.2
104.56139	0.5
105.01935	100.0
124.04040	18.8
125.04366	4.0
135.04448	0.6
175.03981	2.2
178.69197	0.5
203.28352	0.6
272.09216	4.8
273.09570	4.0
273.17096	2.6
283.06073	1.0
343.63220	0.7
431.26926	0.9
436.33136	0.7
491.28711	1.1
643.60547	0.6
697.25684	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98315	0.6
59.01379	1.9
60.99314	3.0
72.99314	1.9
75.00880	3.8
77.49350	0.8
79.26199	0.7
87.00871	2.9
88.98795	29.4
94.02983	1.1
96.95995	1.6
105.01929	100.0
124.04014	7.0
125.04448	0.9
134.03755	1.3
146.11232	0.8
160.01654	1.6
164.04762	4.9
175.03990	4.6
190.02763	0.9
193.05066	1.5
205.05078	1.6
210.99803	0.8
223.06142	3.0
273.17056	1.3
283.06049	0.9
315.82928	0.9
544.70081	1.0
568.68225	0.9
592.48627	0.9
607.20605	1.0
653.33270	1.6
661.21460	5.0
697.25269	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53310	1.9
57.85776	1.8
59.01378	2.6
69.39880	1.6
70.93622	1.9
72.96637	1.8
72.99308	57.8
74.26527	1.7
79.12664	1.8
88.80794	1.7
92.22646	7.8
92.23138	2.3
103.14742	2.0
109.00854	2.1
119.94805	1.8
123.04549	27.1
135.04532	25.8
160.01736	2.4
161.02431	27.6
175.04031	34.8
178.53520	2.4
179.03522	79.2
187.95526	2.3
193.05064	12.7
197.04585	100.0
208.90999	2.4
208.92877	2.3
211.06168	8.9
221.04613	2.1
239.05591	3.0
313.13116	2.2
323.07678	9.0
337.09262	8.9
345.29730	2.4
458.74072	2.4
535.14551	58.9
577.15686	3.2
697.20013	96.0
697.32385	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97226	0.3
59.01385	8.4
64.53351	0.2
73.08656	0.3
73.34968	0.3
74.11139	0.3
79.20781	0.3
80.01444	0.3
81.05521	0.3
83.54248	0.3
87.14144	0.3
96.95988	2.6
101.02460	0.4
109.98307	0.3
117.03458	15.0
119.04971	0.3
134.40472	0.3
145.02951	100.0
169.02734	0.4
305.08771	0.5
365.11487	0.3
397.71933	0.3
449.12988	0.3
535.27368	7.8
637.18073	2.0
655.18726	0.4
656.85358	0.3
690.55621	0.4
697.20337	12.1
697.32782	5.9
701.24048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.46056	0.9
64.03320	0.8
67.01879	1.8
68.42332	1.0
69.75550	1.0
71.01390	1.9
75.00887	1.1
81.49628	1.0
85.02937	2.0
87.00863	4.3
89.02460	1.5
93.03446	18.7
97.11670	0.9
101.02460	2.4
111.04517	2.3
113.02449	8.5
117.03480	1.7
134.03743	41.6
135.04507	1.3
145.02998	2.3
149.06108	11.6
155.03534	2.4
163.04051	1.1
173.04543	9.7
191.05640	80.3
192.06711	12.0
193.05074	100.0
193.06966	5.3
205.05064	1.3
221.34654	1.0
367.10385	80.1
452.52570	1.1
493.37347	1.1
697.21594	3.8
697.33441	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76506	0.4
63.50458	0.4
63.97606	0.4
65.57500	0.4
71.01386	0.7
78.15315	0.4
79.95728	0.7
89.02393	0.4
96.96003	100.0
111.00890	0.5
144.32706	0.4
173.00056	0.4
213.35361	0.5
392.43887	0.4
517.22992	0.6
551.50800	0.5
697.31927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87694	0.8
65.49857	0.8
72.99286	7.6
81.03442	1.0
84.12914	1.0
85.52591	0.9
89.02425	1.6
93.03455	6.5
107.05080	1.0
119.05010	14.8
121.28174	1.2
134.03751	1.9
135.04514	19.6
163.04007	37.5
174.03156	1.6
175.04005	7.5
177.05594	2.6
181.05074	67.0
193.05086	1.6
195.06624	7.4
197.38330	1.2
203.03453	4.8
204.91383	1.2
217.05051	3.9
263.07230	2.2
277.04865	1.8
280.07449	8.1
282.08646	1.4
283.09879	1.4
293.04596	2.2
294.05325	12.0
294.09009	4.9
295.09720	4.4
306.05356	4.3
308.07092	7.6
308.10172	1.2
309.07678	25.0
320.07071	1.6
321.07645	5.2
323.09290	15.5
338.07904	1.6
339.08734	11.2
341.10345	1.3
343.10110	1.6
353.10333	10.8
382.21844	1.1
408.85956	1.0
482.12061	2.4
483.12891	1.5
561.16162	4.4
667.20392	24.3
679.20490	31.6
697.21448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15901	0.4
71.01366	6.6
72.99303	1.0
87.00854	0.9
89.02441	1.1
115.00360	33.3
133.01424	100.0
284.19446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.0
71.01382	4.8
72.99301	48.1
73.02943	1.8
89.02429	7.0
101.02440	7.5
101.23078	0.9
123.04517	20.1
127.04026	1.2
135.04514	28.6
145.05150	1.0
149.04512	7.5
151.03995	1.6
165.20450	1.0
167.99457	0.9
179.03503	52.5
191.05656	1.9
197.04570	100.0
198.33809	0.9
205.07205	5.9
265.44907	1.0
349.11459	12.1
359.09958	4.4
361.93958	1.0
697.22394	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2276
Annotation	Dadahol A
Peak:m/z	Relative Intensity
50.79067	3.7
52.62145	4.0
69.11670	4.1
74.21079	4.3
74.59787	4.6
79.98712	4.8
85.57896	4.3
85.99107	5.4
96.48991	4.5
144.52818	5.7
298.98056	5.5
353.60510	5.4
624.02338	5.6
653.52966	6.1
697.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68165	0.5
53.41335	0.6
55.75969	0.6
55.89930	0.6
59.01384	3.4
70.90697	0.7
71.01383	0.8
76.08274	0.7
96.96007	63.7
97.25668	0.7
101.02443	1.0
105.42746	0.9
107.85553	0.7
112.52264	0.8
113.02488	1.0
129.45648	0.7
134.03731	15.4
135.04524	6.6
137.02367	1.5
147.04617	0.6
147.85310	0.8
148.05325	0.8
149.06097	2.9
160.01715	0.8
161.02518	4.5
175.04041	5.9
178.02734	1.5
179.03481	11.1
185.00890	0.8
193.03357	1.7
193.05052	25.3
226.14156	0.7
244.69633	0.8
302.69690	0.7
310.65775	0.9
332.19812	0.8
373.93073	0.9
520.17535	1.0
535.19794	45.7
546.65570	0.7
697.33136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06091	1.8
59.01385	9.8
61.98825	43.6
71.01372	4.0
75.46029	1.9
89.02430	3.6
102.41867	1.9
113.02454	2.1
134.03725	40.6
148.05281	2.5
149.06088	19.1
160.01610	9.7
174.85291	2.4
175.03998	58.5
176.04759	20.0
178.02689	8.9
191.07144	48.9
192.04268	2.1
193.05051	100.0
193.06796	3.6
207.06633	12.8
217.04997	4.0
220.03751	4.3
235.06117	94.6
265.07199	44.8
270.12747	2.1
283.09744	9.6
295.08188	64.6
296.10770	2.3
298.12134	8.0
310.12219	3.1
311.09256	76.4
325.10818	3.1
326.11633	71.5
326.15472	2.7
341.13971	42.8
355.10370	83.0
460.84476	2.0
697.24500	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51471	0.8
71.01373	1.1
77.70601	0.8
92.23134	0.8
103.04535	0.8
105.01963	0.9
127.33538	0.9
134.03741	15.0
137.43915	0.9
144.83105	1.1
149.06044	7.2
150.03212	1.2
159.04576	1.3
160.01660	29.7
160.05310	8.9
173.06018	1.2
175.04005	100.0
175.07593	16.7
176.04620	0.9
177.05533	1.7
178.06371	10.4
192.07979	4.5
193.05075	23.0
193.08752	2.1
205.05153	1.4
284.40308	1.0
311.16742	0.9
314.11728	1.2
317.40427	0.9
329.13992	20.7
337.09363	26.1
418.38492	0.9
506.85300	1.0
570.39453	1.0
667.24103	18.2
697.25098	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41043	1.8
51.42151	2.0
52.27156	1.8
55.00073	2.2
59.96202	1.9
70.68374	2.0
74.23814	2.2
87.00877	50.1
88.98064	2.5
96.96017	5.5
97.89624	2.1
166.02731	4.5
175.03992	4.8
179.03502	3.2
181.05077	27.6
193.05043	5.1
313.07520	3.4
313.18161	3.8
328.09537	26.2
331.19342	4.7
343.11813	35.4
475.13931	3.0
487.13831	3.6
490.16214	2.9
505.18875	13.4
517.18726	4.6
535.19904	9.7
549.17529	14.8
564.19928	12.7
579.20862	12.6
609.23334	11.8
697.13110	4.8
697.24707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95960	1.0
53.21555	1.0
54.90141	1.0
58.11679	0.9
61.98576	0.9
61.98839	15.1
63.21466	1.0
65.45287	0.9
67.03166	1.3
78.95911	1.0
80.90073	1.2
82.57465	1.1
96.96029	2.0
108.40276	1.2
109.96872	1.2
121.02956	1.4
133.02921	5.4
134.03735	65.3
135.04512	20.8
137.02432	8.3
139.04027	1.8
148.05312	5.6
149.06091	15.9
151.04034	4.7
160.01674	11.0
161.02432	19.0
162.03210	1.6
174.40814	1.2
175.04005	26.8
178.02719	14.9
179.03508	40.3
193.05070	93.0
205.08813	1.1
207.06534	6.2
248.09505	1.3
272.18146	1.4
326.11487	4.4
328.12036	10.1
341.13834	1.2
388.18832	1.3
395.12845	1.2
456.52414	1.2
520.17383	10.1
521.67261	1.3
535.19836	100.0
598.42511	1.3
661.21979	1.3
688.56500	1.6
695.42963	1.4
697.24969	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07609	1.0
63.29045	0.9
72.99297	8.0
110.68890	1.2
117.03439	2.6
121.02960	1.2
133.02982	2.5
134.03729	73.2
135.04520	18.5
136.01672	2.1
137.02409	9.8
137.38705	1.3
139.03943	1.6
147.04492	1.4
148.05305	2.9
149.06052	11.8
151.03973	5.0
160.01646	9.1
161.02428	16.3
162.03256	1.9
163.04016	1.4
175.04008	24.7
177.01932	1.4
178.02705	10.4
179.03494	40.6
191.54723	1.3
193.05058	97.9
207.06581	7.3
223.06184	1.7
223.52171	1.3
246.92046	1.2
247.66603	1.1
326.11728	2.5
495.19775	1.2
520.17474	9.8
535.19757	98.7
697.25092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	0.9
65.39515	0.4
67.01881	1.1
69.03458	0.5
85.02953	0.8
86.82326	0.5
87.00871	5.3
93.03447	22.3
107.10225	0.5
111.04530	5.2
113.02439	0.6
133.87393	0.5
134.03755	3.8
150.87514	0.5
155.03494	1.1
173.04549	12.3
175.04001	0.6
191.05629	100.0
193.05077	7.7
242.56676	0.6
367.10373	64.6
395.67273	0.5
472.65314	0.5
575.82220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53174	0.5
55.14121	0.6
59.01376	1.3
60.99305	1.0
67.01897	1.4
71.01379	0.9
73.02999	0.6
83.19460	0.5
85.02961	0.6
86.67576	0.5
87.00869	5.0
93.03447	26.3
96.95985	1.1
99.00898	0.8
111.04501	5.5
134.03740	3.3
149.72420	0.6
155.09492	0.6
173.04532	11.7
175.03955	1.1
191.05624	100.0
193.05048	7.7
329.13889	2.5
365.55240	0.7
367.10361	53.9
377.15524	0.9
504.47110	0.7
518.13007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28914	1.1
50.46783	1.0
55.89959	1.2
59.01377	6.6
71.01363	8.8
72.06406	1.2
73.02946	1.7
75.52897	1.1
83.01357	1.3
85.02954	6.2
89.02415	1.6
92.22510	1.7
101.02436	8.8
101.06082	2.1
113.02457	5.4
119.05021	2.3
137.02411	2.1
139.21227	1.4
149.02373	1.7
151.03995	13.7
152.04796	2.6
153.05540	1.7
161.04504	1.5
163.04080	2.7
165.01935	51.3
165.05545	9.6
166.02731	6.0
166.06380	14.6
166.19186	1.3
178.02786	1.5
179.03555	14.5
180.04289	72.7
181.05075	10.6
186.40852	1.2
193.05173	1.6
194.05826	12.2
195.02951	2.0
195.06647	84.4
207.06631	4.9
210.05327	18.7
225.07700	80.8
263.11282	2.4
273.17038	1.7
312.68069	1.3
329.10309	11.5
355.08337	3.3
356.09018	2.3
370.10474	5.8
371.11301	9.8
385.12866	8.5
388.11667	26.7
403.13998	78.3
415.13919	2.5
433.15222	8.6
451.16110	30.9
471.18661	13.8
566.70886	1.7
649.25171	43.8
697.27252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.8
71.01366	4.7
73.02939	3.3
89.02455	3.8
101.02435	11.0
113.02404	10.3
113.03609	9.2
114.02007	2.9
131.04614	23.2
137.02496	2.2
151.03995	13.8
160.35484	2.2
165.01910	38.8
165.05547	5.4
166.02649	4.1
166.06358	11.5
179.03522	13.7
180.04295	67.7
181.05028	10.7
194.05847	12.1
195.06627	85.4
210.05350	13.0
214.14551	4.4
225.07693	68.4
329.10428	5.7
345.75327	2.6
346.01749	2.3
355.08261	3.4
368.42950	2.2
370.10425	2.5
371.11508	8.5
385.13031	5.3
388.11594	24.9
403.13934	65.9
417.97638	2.4
433.14981	5.1
451.16040	28.2
471.18738	11.2
485.27063	2.8
649.25000	47.4
681.49219	2.7
697.27216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06791	0.3
59.01384	0.9
61.25178	0.4
78.33469	0.4
95.95234	0.5
96.96007	60.0
101.02415	0.8
123.92250	0.5
134.03737	5.2
135.04546	1.0
148.05234	0.4
149.06061	1.0
158.06601	0.5
160.01651	0.8
161.02489	0.7
167.03462	0.5
175.04033	2.2
179.02008	0.5
179.03520	3.0
193.05034	4.7
197.04642	0.5
245.94817	0.5
291.45370	0.5
363.16223	0.6
520.17822	0.6
535.19873	11.0
695.98779	0.5
697.32910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	3.2
61.98825	4.3
62.00826	1.8
62.99549	1.8
71.01333	2.0
78.95886	2.4
96.96013	48.6
101.82202	2.5
123.04517	1.9
178.12218	2.1
277.83487	2.3
336.28827	2.7
444.55304	2.4
467.79752	2.2
519.27979	13.8
520.08057	2.2
523.51880	2.7
535.26978	2.6
697.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3274
Annotation	Zygophyloside O
Peak:m/z	Relative Intensity
54.13920	0.2
59.01385	2.1
60.65700	0.2
71.01363	0.6
72.99326	0.3
73.02937	0.3
77.94566	0.3
79.95731	0.7
83.01349	0.3
89.02424	0.5
95.95183	0.5
96.96001	57.1
98.40520	0.3
101.02417	0.6
113.02400	0.4
115.94168	0.3
119.03474	0.3
121.48116	0.3
123.22768	0.3
129.90607	0.3
134.03734	0.7
162.59010	0.3
175.04111	0.3
179.03497	0.4
193.05046	1.4
205.05235	0.3
335.35086	0.3
363.16376	1.1
405.73502	0.4
491.25070	0.3
535.19580	2.3
653.32404	0.4
697.32703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
71.01385	5.4
81.58996	1.0
87.00860	1.1
89.02440	12.9
93.03447	4.7
99.08123	1.5
101.02436	7.8
113.02454	5.4
119.03477	8.2
145.08699	44.0
161.04599	1.0
173.04533	1.8
187.09665	1.3
191.05620	26.5
193.05086	4.1
239.75880	1.0
260.25223	0.9
274.10492	1.1
280.83527	1.1
294.60440	1.1
307.14014	100.0
313.10818	1.5
367.10410	9.8
529.96124	1.1
574.18256	1.2
577.50531	1.2
684.40778	1.4
694.73254	1.1
697.21082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.6
61.98822	0.8
67.01903	1.0
71.01384	1.6
86.74551	0.7
89.66861	0.8
95.05100	0.7
101.20457	0.7
102.96374	0.8
116.21147	0.9
127.36757	0.8
134.27155	0.8
139.03992	3.8
169.69826	0.9
220.42302	0.9
222.52449	0.9
279.23312	100.0
293.24719	1.0
377.27057	8.0
391.28500	10.3
419.28317	7.9
449.28613	1.1
596.37231	1.0
697.38269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.9
70.70509	0.9
71.01394	0.9
86.59375	0.8
96.95988	1.3
97.02909	1.1
109.75229	1.0
113.09721	14.0
152.99609	1.3
167.10745	1.8
179.10791	2.2
195.13896	2.1
248.33351	0.9
249.22249	1.9
263.11365	12.8
275.20358	1.0
283.36423	0.9
284.02167	1.0
293.21271	100.0
297.57959	1.0
305.21255	1.4
357.12183	0.9
373.23584	1.4
391.24985	4.2
637.35883	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25718	0.7
59.01382	21.4
62.17051	0.6
71.01366	1.4
72.40397	0.6
77.55721	0.7
89.02402	1.1
92.23087	1.0
99.04539	0.7
113.02419	1.1
116.92885	1.5
142.57686	0.8
161.04541	0.9
207.08011	0.7
263.11133	0.8
277.21747	100.0
279.11026	1.5
293.21252	7.5
399.86426	0.8
514.76788	0.7
525.69104	0.8
527.12793	0.8
539.32495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62899	0.5
57.53679	0.6
59.01382	11.5
61.98840	0.5
71.01382	1.0
83.05000	0.6
87.96037	0.6
89.02462	0.7
90.31638	0.5
94.92532	0.5
99.04546	0.6
101.02440	0.8
113.02441	1.0
119.37740	0.6
179.94240	0.5
187.89156	0.6
204.58952	0.6
261.10010	0.8
277.21747	100.0
279.10953	1.1
297.24323	1.2
355.34241	0.7
539.32452	2.2
697.37903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95329	0.4
59.01384	6.1
59.09954	0.4
70.78910	0.5
76.75951	0.4
97.02936	11.2
100.09770	0.5
149.67781	0.5
233.22444	0.4
239.10989	0.5
277.21747	100.0
347.22028	0.6
359.13580	5.3
375.25534	4.0
472.76794	0.6
503.39767	0.5
637.36493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68496	2.4
55.82291	2.4
59.01379	22.8
60.93308	2.7
61.98821	4.9
71.01394	5.1
73.02948	3.4
78.95903	14.8
89.02476	5.5
99.00926	4.4
101.02427	4.3
121.10219	5.4
142.60422	3.2
152.99576	44.1
171.10303	29.1
183.13863	21.1
211.13452	3.9
243.35475	3.6
263.11386	54.6
275.20166	49.3
281.24866	42.1
293.21274	100.0
341.06259	4.5
391.24893	15.0
411.18527	4.2
533.29327	3.8
638.78528	3.7
674.59534	3.9
697.36145	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24835	0.6
108.57493	0.6
122.06067	0.6
129.49773	0.7
147.03273	3.7
148.04042	3.4
150.05650	0.8
175.02716	3.0
176.03514	9.4
179.05936	0.9
199.08736	4.2
200.23991	0.5
206.04582	0.9
212.05884	0.8
212.10857	0.6
215.11900	10.4
225.10266	1.2
227.08234	3.9
227.11841	1.3
237.10298	0.7
239.08174	0.7
240.09055	3.6
241.09843	8.6
243.07784	8.0
243.11418	3.1
253.09778	3.2
255.07558	1.1
255.11409	7.0
256.09860	2.1
266.06894	1.4
269.05673	0.9
269.09372	5.0
271.07202	2.9
271.10892	8.5
281.09381	14.5
283.07190	1.3
284.07993	3.4
297.08691	5.8
299.10403	16.7
303.09845	2.5
307.07489	0.7
313.11893	3.9
315.09961	3.2
325.08344	2.7
331.13019	4.0
339.09888	2.5
357.11246	1.0
373.62213	0.6
375.11905	4.2
378.22482	0.7
472.13385	0.7
498.90723	0.7
697.40790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70635	0.8
54.90660	0.8
59.01379	2.0
74.35997	0.8
88.23289	0.8
97.12141	0.9
105.67234	0.9
107.76210	0.9
114.50977	0.9
114.86061	1.0
152.09113	0.8
181.40245	0.9
227.08118	1.5
230.44319	0.9
243.07779	3.5
255.07758	5.3
256.06290	1.6
267.07727	1.6
271.07272	48.7
281.09253	4.9
283.07300	11.0
283.10431	1.3
294.05994	1.3
297.08942	1.9
299.06799	11.4
301.07919	1.1
309.08871	5.1
311.06769	37.8
325.08386	1.9
331.09290	1.5
343.09305	1.5
353.07990	1.0
637.38464	9.2
665.38556	1.2
672.30121	1.1
697.40765	100.0
723.93121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42110	1.2
78.95894	2.1
79.01466	1.6
79.24479	1.4
80.17596	1.6
93.70619	1.4
104.45554	1.6
105.75039	1.5
113.84221	1.3
114.08318	1.8
147.03281	3.1
148.03896	1.5
175.02731	2.8
176.03510	9.8
199.08749	2.5
215.11943	12.8
225.10260	1.7
227.08232	2.9
241.09785	9.9
243.07822	2.4
253.09756	2.2
255.11276	7.7
256.09744	2.3
262.37680	2.1
266.06796	1.8
269.09274	2.9
271.07324	2.9
271.10757	8.6
272.36044	1.4
279.07584	1.4
279.23465	2.0
279.55322	1.4
281.09415	14.5
281.24872	1.8
283.07135	2.4
284.08191	1.7
297.08694	9.0
299.10419	18.7
307.07037	1.7
313.11920	2.5
325.08362	2.5
331.12894	3.3
375.11728	5.7
511.11154	1.4
697.40509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13346	0.7
57.03442	1.0
59.01381	7.0
61.98832	1.5
69.98617	0.9
71.01376	3.5
78.78648	0.9
89.02435	4.3
92.17832	0.9
101.02425	2.1
111.08162	1.3
113.02443	1.8
120.58297	1.2
139.11293	65.9
183.10271	32.1
201.11348	96.3
219.20546	0.9
253.09148	1.6
277.21741	20.6
437.20389	4.4
588.97699	1.2
591.45093	1.0
697.41754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01384	6.8
60.80823	1.2
61.27023	1.4
62.83326	1.5
68.96976	1.3
70.86987	1.4
75.69602	1.5
78.95901	1.7
87.31397	1.5
93.03466	3.1
101.02438	2.5
110.64445	1.4
111.04525	1.8
132.77640	1.6
137.02487	1.4
137.98003	1.6
139.10330	2.5
139.11301	49.4
173.04533	9.8
176.96254	1.6
183.10287	25.5
186.69618	1.6
201.09552	2.2
201.11340	37.9
277.21732	49.9
286.94464	1.6
697.41827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16823	0.3
61.59803	0.3
62.72559	0.3
74.59774	0.3
85.02954	0.7
92.06258	0.4
96.93794	0.4
150.04201	0.4
161.02486	2.4
179.03410	1.5
190.62483	0.4
191.05617	100.0
245.86453	0.4
292.73837	0.5
299.73883	0.5
335.56125	0.4
353.08789	25.2
354.09137	0.4
424.29883	0.5
698.19812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50127	0.5
61.98832	100.0
69.78356	0.5
71.07968	0.5
109.63923	0.5
115.65819	0.5
140.51195	0.5
180.75252	0.5
635.23309	1.0
685.95630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12862	0.3
58.35375	0.3
61.98835	100.0
62.47262	0.3
66.57380	0.4
67.50331	0.3
71.35281	0.3
84.92822	0.4
112.27050	0.4
137.76567	0.4
142.18201	0.4
186.80403	0.4
187.96259	0.4
205.27736	0.4
218.34753	0.4
551.42725	0.5
634.98285	0.5
635.23645	0.9
698.89154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03441	0.8
54.51474	0.9
59.01379	75.3
67.28455	1.1
71.01373	33.3
72.99322	1.6
76.85651	1.1
77.04844	1.1
78.17513	1.0
78.45918	0.9
81.66060	1.2
85.02954	2.0
85.55381	1.2
87.00858	1.1
89.02432	58.5
92.23130	1.2
95.01382	1.6
97.02944	4.7
99.04556	1.3
101.02435	35.1
113.02440	21.3
115.04002	33.3
117.04710	1.0
119.03491	27.1
130.22540	1.1
131.03455	1.4
143.03540	1.6
179.05617	2.0
195.49326	1.2
264.06735	2.1
279.10876	65.4
292.06274	2.2
313.70609	1.1
320.05643	36.6
320.08890	1.6
377.14557	100.0
698.24255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06750	0.8
69.09174	0.9
69.36279	1.2
73.49767	0.9
86.65100	1.0
105.01918	5.3
156.59491	1.1
175.03987	5.2
190.57716	0.9
193.05200	1.1
309.00186	1.2
315.05533	1.4
320.09326	1.1
329.06689	2.1
330.07611	5.3
332.09253	6.5
344.09268	2.1
345.10663	1.4
347.11609	8.1
348.08655	5.6
348.12573	1.7
354.13464	1.1
358.10873	2.2
362.10385	3.7
363.11234	1.8
372.12619	2.3
376.11917	5.4
377.12637	2.4
400.15497	9.4
432.18033	1.1
434.16003	1.3
444.08484	1.8
444.14560	39.7
459.16998	12.7
460.17487	1.2
462.15454	4.9
464.21014	4.2
474.19217	23.8
476.17096	5.8
477.18011	5.8
492.20367	51.7
536.19434	19.5
539.36340	1.3
698.24658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63807	1.1
55.73520	1.2
57.18126	1.1
59.01384	28.7
68.46086	1.4
71.01378	29.7
73.02943	6.9
83.01409	2.4
85.02935	10.8
87.00879	2.1
89.02434	22.5
95.01332	1.4
99.00871	2.3
101.02435	30.4
113.02443	19.6
119.03485	7.1
125.02437	1.5
150.21848	1.4
159.02829	1.5
161.04550	11.1
263.11420	100.0
276.10205	2.2
277.07730	1.6
278.08276	1.9
291.05487	2.7
305.06903	7.1
306.07761	50.8
320.09271	39.0
321.10098	32.2
336.12451	55.7
336.16489	2.3
434.16080	17.5
437.90015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23811	0.3
61.98832	100.0
62.04656	0.3
79.49210	0.4
87.31169	0.4
110.61996	0.4
113.02460	1.9
158.56523	0.4
372.08472	0.4
378.02472	0.4
469.80997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16989	0.3
50.44243	0.3
51.08834	0.3
55.07307	0.4
59.08371	0.3
61.98835	100.0
67.32749	0.4
73.40279	0.3
74.56948	0.4
74.81381	0.3
92.48723	0.4
111.71753	0.3
189.60855	0.4
277.21713	0.5
278.22241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30169	1.3
61.98836	100.0
77.32883	1.3
78.73747	1.4
102.78902	1.5
195.82547	1.8
271.16946	2.1
341.24802	6.6
358.21527	1.9
360.23062	7.0
411.29068	9.1
428.29321	10.0
429.30112	22.4
466.19312	1.6
591.35321	16.8
635.34491	19.4
664.74927	1.7
698.33826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
71.01351	0.7
72.99305	62.0
79.74687	0.7
79.94250	0.8
83.81050	0.6
89.66786	0.7
102.79418	0.8
123.04515	16.4
125.43866	0.7
129.26917	0.8
134.03743	1.3
135.04529	22.2
144.46155	0.6
149.06155	1.5
151.04024	1.4
165.05579	4.6
178.02724	1.5
179.03508	62.2
181.05096	1.3
193.05096	9.7
195.06645	4.7
197.04570	86.9
223.06128	3.0
225.31538	0.7
249.60413	0.8
270.24194	0.7
341.10068	1.1
396.74899	0.7
433.05722	0.8
435.66034	0.8
452.02472	0.7
537.15741	6.8
699.21558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2154
Annotation	Topsentiasterol sulfate F
Peak:m/z	Relative Intensity
59.01378	2.1
65.48609	1.0
71.01378	1.3
72.99306	65.5
76.21966	1.0
89.02422	1.2
106.72054	1.2
123.04530	21.0
127.79511	1.0
134.03687	1.2
135.04532	24.3
140.92836	1.2
151.03989	2.7
153.05452	1.1
176.92390	1.7
179.03506	83.6
191.07141	4.5
195.06619	5.0
197.04570	100.0
223.06029	5.6
341.85556	1.2
381.01492	1.3
537.15527	8.6
556.94458	1.3
583.53387	1.2
678.13068	1.5
699.21509	99.9
710.70532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
71.01351	0.7
72.99305	62.0
79.74687	0.7
79.94250	0.8
83.81050	0.6
89.66786	0.7
102.79418	0.8
123.04515	16.4
125.43866	0.7
129.26917	0.8
134.03743	1.3
135.04529	22.2
144.46155	0.6
149.06155	1.5
151.04024	1.4
165.05579	4.6
178.02724	1.5
179.03508	62.2
181.05096	1.3
193.05096	9.7
195.06645	4.7
197.04570	86.9
223.06128	3.0
225.31538	0.7
249.60413	0.8
270.24194	0.7
341.10068	1.1
396.74899	0.7
433.05722	0.8
435.66034	0.8
452.02472	0.7
537.15741	6.8
699.21558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18010	1.7
50.61020	1.7
59.01382	34.5
71.01378	25.5
74.70175	1.8
81.82732	2.1
83.01395	2.3
83.45428	2.1
85.02946	3.9
89.02438	29.8
93.43542	2.1
94.08666	2.0
96.95988	2.2
101.02435	24.6
105.01929	9.3
113.02467	10.7
119.03506	4.9
146.03749	2.7
147.04533	14.9
147.24266	1.9
152.20677	1.9
153.05679	2.6
154.88943	2.0
159.04501	3.8
161.02457	9.6
162.03056	2.2
163.03981	5.1
175.04076	4.4
176.04668	1.9
179.03510	2.4
191.05678	3.6
191.07196	5.1
204.04204	3.8
205.05115	4.5
217.05080	2.5
223.06093	2.3
267.05078	3.9
281.04581	2.5
282.05417	3.6
282.08908	2.3
283.06247	24.9
296.06891	4.9
297.07681	37.2
298.08582	33.0
311.09247	29.7
312.10074	30.0
313.10873	49.7
326.08316	2.5
327.12326	3.4
331.12137	2.3
339.08688	27.3
371.11517	2.5
399.10947	11.0
484.67044	2.4
493.16974	4.4
519.15057	12.5
537.15851	17.0
579.17297	100.0
609.18317	86.1
639.19354	88.7
699.21826	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2158
Annotation	Welloside
Peak:m/z	Relative Intensity
55.07822	1.5
59.01386	2.6
60.26522	1.7
60.62477	1.6
64.22944	1.5
68.26749	1.5
71.01366	3.2
71.56992	1.4
87.72491	1.7
89.02434	3.5
101.02473	2.1
113.08391	1.9
133.02962	3.1
135.04532	10.1
161.02449	100.0
163.04030	4.0
165.05557	2.1
177.05585	2.9
178.60727	2.1
179.03506	29.8
191.07146	4.2
221.04607	9.9
227.87718	1.8
251.05591	4.6
281.06631	12.8
298.47760	2.0
325.13293	3.6
341.15863	2.7
370.57031	2.1
416.15591	2.3
423.59967	2.7
427.81683	1.9
432.82507	2.6
519.15070	10.6
537.15918	60.1
619.43774	1.9
699.20935	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
71.01385	1.3
85.02935	2.5
89.02434	0.5
93.03450	2.4
111.04520	0.7
113.02441	100.0
119.05009	4.4
137.02414	0.5
144.95383	0.3
145.02968	6.7
155.03542	0.6
163.04015	6.2
173.04544	12.4
178.31482	0.4
189.05606	2.8
191.05627	14.5
205.05150	0.4
217.08725	1.2
290.66873	0.4
307.08337	7.0
337.09290	1.7
348.84128	0.3
363.11224	0.4
405.11923	2.2
409.13486	0.3
421.11435	6.4
423.13162	1.8
519.15289	0.7
537.16174	0.7
579.17352	2.0
609.18561	0.6
611.74872	0.3
639.19562	2.7
699.25269	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00605	0.4
71.01378	0.6
72.99303	72.7
107.04991	0.7
109.02930	0.6
117.01928	0.5
123.04514	21.6
128.78198	0.4
135.04530	26.2
151.03998	2.9
163.03947	0.5
165.05472	0.5
177.05534	0.7
179.03505	73.2
181.05077	1.9
191.05592	0.6
195.06657	3.2
197.04567	97.3
211.06056	0.5
215.05617	0.6
221.04587	0.9
223.06099	2.7
239.05678	1.8
254.11752	0.5
265.07196	0.7
341.09015	0.6
537.15900	6.6
629.29834	0.6
699.21509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
71.01354	1.6
83.08120	1.4
87.00878	10.8
92.23036	1.9
96.95984	1.5
125.46407	1.5
134.11548	1.5
165.01901	14.4
175.04059	5.6
179.03488	3.5
180.04283	40.5
190.06337	3.8
194.05878	1.6
195.06638	62.9
208.84285	1.7
210.05310	12.7
211.09776	1.7
218.05779	5.9
222.05257	8.4
225.07776	12.7
248.21434	1.7
307.06033	2.1
310.16855	1.7
321.07690	15.4
322.08508	3.1
323.09244	3.0
324.06546	2.2
325.06995	11.2
326.08121	2.3
336.09952	10.4
337.07208	10.9
339.08728	12.8
339.12338	2.3
340.09424	13.3
341.10382	3.3
352.09357	3.9
354.10965	8.7
355.11981	16.7
367.11841	8.4
503.13409	2.2
518.15710	8.4
533.18201	8.9
563.19153	6.7
581.72198	2.1
611.21582	39.2
699.22961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44320	0.4
57.30516	0.4
60.09602	0.4
62.01482	0.4
66.32329	0.5
72.99302	28.2
73.08879	0.4
77.22676	0.5
81.09684	0.4
83.11134	0.4
83.84757	0.4
89.04654	0.4
97.18930	0.4
107.39417	0.5
107.98620	0.4
123.04508	7.8
135.04518	8.0
177.77762	0.5
179.03510	33.6
183.64882	0.5
197.04568	100.0
249.55849	0.5
256.04010	0.6
289.14615	0.5
356.04968	0.5
359.09872	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01371	0.6
59.01379	100.0
60.60916	0.7
64.41478	0.6
70.98620	0.6
71.01378	14.6
73.02958	6.7
83.01380	0.8
85.02935	8.2
89.02450	1.6
99.00854	1.8
101.02442	19.4
101.06076	9.1
113.02441	8.9
125.02465	1.0
131.59392	0.7
144.80090	0.7
159.02980	3.0
161.04544	14.7
176.23338	0.8
180.17761	0.8
181.05148	1.0
191.02042	1.1
209.03049	1.2
245.10304	1.8
255.68790	0.8
263.11295	13.3
279.08823	1.0
305.12463	76.8
446.82697	0.8
551.05017	1.0
578.06689	0.8
631.13873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01370	1.9
60.99295	0.4
64.87160	0.3
67.01887	1.6
69.03469	0.3
69.38102	0.3
70.11423	0.3
71.01379	3.2
78.86971	0.4
81.03448	0.3
83.05022	0.4
85.02947	6.7
89.02440	0.4
92.23106	0.4
93.03446	16.0
101.02412	1.4
111.00854	0.3
111.04501	4.7
113.02453	0.8
119.05025	18.3
137.02432	3.8
143.44791	0.3
155.03497	5.0
163.04019	28.2
173.04555	100.0
181.05125	0.4
189.05501	0.4
191.05624	13.9
217.08719	9.6
219.01059	0.4
261.07776	2.6
299.42963	0.4
337.09351	9.1
699.25208	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94709	1.0
59.01382	16.6
62.68474	1.1
65.75751	1.2
71.01384	13.0
78.78645	1.2
79.22196	1.0
79.53974	1.2
85.02954	2.1
89.02440	12.5
101.02438	7.3
112.38106	1.1
113.02428	7.4
119.03479	5.9
150.03206	16.2
161.02414	7.6
164.04855	2.9
165.05566	53.4
176.04800	7.9
177.05647	1.4
179.03514	2.7
179.05548	1.8
180.04303	5.8
190.06339	5.1
191.07146	82.8
195.06657	14.3
201.07333	1.2
209.08238	6.5
212.65234	1.4
280.53229	1.2
312.10049	6.1
327.12405	23.4
337.21515	1.2
340.15518	1.7
345.13559	2.8
357.13455	1.9
375.14502	24.9
537.19946	100.0
579.16333	1.5
729.28552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34948	0.4
57.03425	0.5
59.01375	3.4
67.01894	1.9
71.01372	4.2
85.02941	6.8
87.00893	0.5
88.32108	0.4
89.02422	0.8
93.03452	16.9
101.02441	0.5
102.27423	0.6
111.04519	4.1
113.02445	0.6
119.05009	14.4
137.02478	4.0
155.03508	4.7
163.04007	24.8
165.05550	0.5
166.02824	0.8
173.04546	100.0
175.03906	0.5
181.05083	1.6
189.05447	0.5
191.05626	12.6
193.05112	0.5
217.08740	7.6
242.34621	0.5
261.07657	2.6
295.15033	0.6
337.09351	8.9
347.79898	0.5
354.78091	0.5
625.12610	0.6
651.12885	0.5
699.25171	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26652	0.7
59.01385	1.1
60.29273	0.9
64.03570	0.8
71.01364	4.0
73.02950	1.1
81.72823	0.9
85.02950	17.9
89.02397	1.1
90.58808	0.8
93.03421	9.4
99.38018	0.9
101.02437	1.4
111.04504	5.8
119.05017	41.2
137.02432	1.0
145.02940	1.5
155.03494	5.0
163.04016	69.3
173.04562	16.0
191.05630	100.0
193.05031	1.4
197.93665	0.9
217.08722	19.4
261.07660	3.8
337.09244	5.2
404.66919	1.0
423.10632	0.8
426.15836	0.9
446.95499	1.0
699.25122	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87021	1.3
59.01382	84.5
59.57557	1.4
61.98855	2.0
62.61029	1.3
71.01377	43.7
72.99294	2.2
73.02940	6.8
74.99078	2.7
79.54930	1.7
84.21278	1.4
84.83708	1.6
85.02959	9.0
87.00868	3.9
89.02441	35.1
95.01396	2.9
97.02930	2.7
101.02445	30.7
103.70339	1.8
104.17684	1.7
113.02438	20.8
115.04014	9.3
119.03485	10.8
135.04523	3.6
136.99115	8.6
151.04066	2.1
161.04591	13.3
179.05606	8.2
205.05112	12.2
215.12695	1.9
223.06071	2.3
229.14417	7.9
307.08871	1.6
338.77701	2.0
417.15512	9.3
436.21033	1.9
454.22049	26.8
469.17252	12.4
489.19678	2.6
519.19824	2.4
552.25897	7.4
561.19366	2.3
579.20850	100.0
699.32880	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83296	0.5
54.94699	0.5
59.01381	4.1
60.99303	0.6
66.90610	0.5
71.01371	3.7
75.00022	0.6
78.11573	0.6
85.02948	16.5
85.03434	1.1
87.00869	1.3
89.02428	3.2
93.03448	5.9
99.00890	0.6
101.02431	2.7
108.40269	0.7
111.04531	5.8
113.02447	3.5
119.05017	51.7
127.03977	3.2
129.01945	0.8
137.02420	0.9
151.95399	0.7
155.03528	9.0
155.06932	0.7
163.04015	84.1
173.04555	19.1
191.05624	69.6
199.02449	3.6
207.44238	0.7
217.08702	24.5
261.07645	5.8
316.57932	0.8
337.09320	2.9
340.45407	0.8
642.26971	0.8
652.44336	0.7
699.25195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49257	0.4
59.01381	2.4
65.48045	0.4
67.01887	1.2
67.70724	0.4
70.64469	0.4
71.01369	4.1
85.02950	6.5
89.02424	0.6
93.03455	13.3
101.02425	1.1
104.05962	0.5
111.04529	4.8
113.02451	0.9
119.05013	17.9
137.02461	3.2
155.03546	5.9
163.04015	23.6
170.53149	0.5
173.04555	100.0
191.05627	10.2
193.05020	0.6
217.08690	8.6
245.47066	0.5
261.07733	3.0
337.09256	6.6
435.13007	0.7
508.62259	0.6
544.28198	0.6
698.76929	0.6
699.25146	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28039	0.4
59.01383	0.9
67.01877	2.5
71.01370	3.7
85.02945	6.2
88.79607	0.4
93.03455	14.4
95.01429	0.5
101.02424	0.8
104.50346	0.5
109.02908	0.5
111.04527	4.9
113.02426	0.6
115.49104	0.6
119.05025	18.8
123.00884	0.6
137.02451	4.3
155.03546	5.1
163.04019	26.4
173.04553	100.0
191.05640	11.8
217.08755	9.0
261.07733	2.1
337.09363	8.4
539.88782	0.6
699.25189	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02188	0.5
59.01369	2.5
62.21783	0.6
65.83704	0.5
67.01885	2.3
68.75586	0.6
69.03454	0.6
71.01378	3.7
74.62038	0.5
84.39536	0.7
85.02936	5.8
85.66710	0.5
89.02434	1.4
93.03455	15.5
95.87785	0.6
96.24331	0.5
104.83376	0.6
111.04504	3.6
116.80337	0.6
116.92854	0.9
119.05019	19.5
137.02426	4.9
155.03450	5.5
163.04027	25.0
173.04553	100.0
175.07706	0.8
191.05647	10.1
200.02870	0.6
217.08737	8.6
261.07773	2.6
337.09540	6.6
340.49405	0.7
596.94012	0.7
699.25183	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50116	0.6
53.96352	0.6
59.01384	15.2
66.90620	0.7
71.01380	14.5
72.99300	1.1
73.02952	3.1
75.65976	0.7
83.01391	1.1
85.02943	4.8
89.02439	17.7
89.29408	0.9
92.22495	1.1
97.02896	0.9
99.00830	1.0
101.02431	9.3
113.02443	7.7
119.03499	4.9
133.01443	1.0
134.80507	1.0
149.02429	1.5
150.03226	13.3
164.04768	5.7
165.05569	33.9
176.04771	1.5
177.05627	1.6
179.05650	1.7
180.04330	1.3
181.71942	0.9
191.07156	25.1
195.06616	6.5
239.09346	1.4
244.14380	0.9
288.56516	0.8
311.11469	1.2
312.10098	12.5
325.13297	1.9
326.13535	1.9
327.12408	36.4
340.15433	3.2
341.15930	4.1
349.53500	0.8
375.14395	5.8
489.17911	1.2
534.06354	0.9
537.19855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
63.17362	1.3
71.01392	2.6
72.99310	3.2
73.33224	1.4
74.99090	34.9
90.07098	1.3
115.00363	5.7
121.02934	1.7
122.03745	16.7
123.04519	9.3
133.01413	13.3
136.99144	37.8
146.03746	18.2
151.04015	21.2
152.04301	5.7
161.06042	14.1
164.04813	18.3
175.03928	1.8
176.04865	3.1
177.02017	1.6
179.07149	100.0
180.04259	11.3
191.07147	42.4
195.06659	43.6
197.04596	2.9
207.06612	3.3
235.02867	15.8
235.66771	1.6
248.35823	1.7
297.11563	2.0
312.10156	2.1
327.12378	16.3
330.11392	2.2
345.13449	14.7
360.12192	8.9
375.14511	86.4
537.19653	37.8
699.20929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68637	1.9
59.01394	3.7
62.92385	1.8
69.22631	2.4
79.20467	2.0
96.95998	3.8
112.92285	2.0
121.02975	3.1
131.04593	4.7
149.02469	2.9
150.03206	4.5
159.04538	3.2
160.05276	25.6
161.06096	11.1
163.03941	2.5
164.04803	11.9
173.06200	2.3
175.07617	26.1
177.05559	17.0
178.06349	23.1
192.07890	18.6
250.11945	2.3
255.06650	2.9
265.08859	5.0
266.05795	3.8
267.06635	21.4
267.83252	2.5
269.08157	35.6
270.09045	15.2
281.08240	56.0
282.08960	24.9
283.09631	8.6
284.10425	15.0
296.10489	4.3
302.07831	3.7
314.08035	9.2
316.09512	12.2
328.09573	2.8
429.13531	10.3
432.15826	13.6
444.15857	31.6
447.18195	32.3
459.18576	21.5
462.16989	9.1
474.16687	19.6
477.19287	98.8
489.19470	66.3
507.12738	2.7
507.20273	92.1
519.20251	100.0
537.21313	89.6
669.25635	9.7
699.26263	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16169	1.3
58.56222	1.2
59.01372	2.3
63.22497	1.5
73.44478	1.5
90.19841	1.5
92.63184	1.4
96.96002	10.3
99.61987	1.3
121.02991	1.7
147.04556	3.3
149.02473	1.9
150.03204	2.8
159.04510	3.0
160.05283	9.3
161.02435	1.9
161.06033	3.2
163.04108	2.4
164.04903	4.8
175.07643	14.0
177.05560	9.3
178.06326	14.9
191.05664	2.0
192.07921	8.4
198.42360	1.5
200.08759	1.3
255.06621	2.3
265.08621	3.0
267.06635	13.7
268.07410	1.9
268.87466	1.5
269.08252	16.8
270.09003	3.4
281.08255	35.5
282.08932	17.8
283.09692	3.3
284.10477	5.7
296.07114	1.8
296.10538	8.8
302.02823	1.4
302.07794	3.0
307.09714	1.8
308.10614	7.3
314.08041	6.6
316.09500	6.5
320.10434	2.8
321.11365	7.4
322.12079	1.8
323.12924	8.5
326.11597	10.2
335.12894	3.0
337.10757	2.4
338.11597	12.2
340.13138	5.9
371.15048	7.5
408.97662	1.6
429.13589	7.0
432.15610	6.9
444.15744	23.0
447.18185	25.5
459.18900	21.3
462.16940	6.7
463.77786	1.7
474.16708	22.8
477.19290	72.9
489.19345	59.4
504.17792	5.4
507.20279	50.6
507.27304	2.7
509.83899	1.7
519.20276	100.0
537.21423	38.4
669.25470	26.9
681.25848	19.8
699.25732	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29626	0.7
57.93288	0.7
59.01370	3.2
65.76994	0.7
71.01379	1.2
88.44533	0.8
109.18392	0.9
117.03472	1.4
118.28448	0.8
132.02142	1.8
134.03738	28.5
135.04526	1.4
145.02939	1.0
149.06050	5.8
160.01651	50.4
161.02434	6.1
165.05530	1.5
175.04004	85.0
178.02669	1.7
179.03503	1.9
193.05061	25.4
258.56995	1.0
343.15463	0.9
361.16623	13.8
433.00745	0.8
699.26666	100.0
701.06903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07955	0.4
60.99295	1.0
67.01887	2.6
71.01399	0.6
72.56899	0.5
81.20624	0.6
87.00868	5.6
93.03453	26.8
111.04514	3.6
116.50376	0.6
117.69839	0.6
122.12227	0.6
122.43803	0.5
129.01932	1.3
134.03711	1.4
149.05984	0.6
151.07680	0.6
173.04549	12.7
191.05634	100.0
193.05038	7.8
332.05499	0.6
367.10373	51.8
610.30255	0.7
652.73712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41227	0.5
60.99289	0.5
67.01894	1.3
71.01381	0.9
79.05046	0.5
85.89061	0.5
87.00873	5.6
93.03449	23.8
96.65878	0.6
99.00872	0.6
99.04478	0.5
111.04516	4.7
134.03734	3.8
149.05977	0.5
155.03473	1.0
173.04546	10.4
175.04012	0.9
191.05627	100.0
193.05060	8.3
367.10358	57.8
367.15051	1.1
429.22021	0.6
499.05652	0.6
562.69867	0.6
695.69147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30974	0.5
59.01385	0.5
60.61478	0.5
60.99308	0.9
64.43261	0.5
67.01893	1.4
71.01357	1.0
85.02955	1.2
87.00871	7.5
93.03455	22.9
99.00854	0.6
111.04546	3.9
118.65449	0.6
119.81577	0.6
127.04076	0.6
134.03743	4.1
170.56689	0.6
173.04543	12.7
175.04034	0.6
191.05627	100.0
193.05045	8.9
195.06642	1.0
205.05034	0.7
223.06194	0.6
241.27666	0.6
245.81276	0.6
347.50397	0.5
367.10373	57.3
369.11111	0.8
374.50656	0.6
490.65402	0.6
631.65167	0.6
639.20673	0.6
641.46991	0.6
699.21344	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.38869	1.7
71.01376	39.2
73.02933	3.1
76.72556	1.9
85.02938	13.1
87.00893	2.3
87.26104	2.4
89.02451	24.9
92.22553	2.8
95.01326	2.4
95.45462	2.3
99.00893	2.1
101.02431	26.3
113.02438	18.3
115.04014	10.9
119.03515	7.0
125.47231	2.3
135.04504	4.2
161.04617	3.5
164.04788	4.9
169.12222	2.7
179.05666	3.1
190.02776	21.3
191.05739	2.4
205.05066	67.3
205.06813	2.9
223.06065	8.5
229.14453	68.2
234.40480	2.2
417.15652	4.6
454.22284	22.8
455.58145	2.1
469.17184	68.3
535.47314	2.5
561.19604	3.5
579.20911	67.6
699.32440	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.8
71.01380	18.7
78.95938	3.3
89.02436	19.9
101.02443	23.6
113.02425	7.4
119.03484	6.9
125.02412	3.8
130.20720	3.0
148.85487	3.4
152.99628	13.3
161.04536	4.3
194.60378	3.6
241.21754	100.0
397.08890	4.0
397.13620	64.6
415.14529	13.6
428.04504	3.6
621.35608	3.8
639.35944	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28274	0.6
52.60236	0.6
57.91570	0.6
59.01381	14.7
60.37790	0.6
63.94577	0.7
69.95480	0.6
92.23045	1.1
97.02951	7.2
277.21741	100.0
278.22284	1.2
279.22345	3.1
295.22757	6.8
357.55316	0.7
361.15076	3.9
375.25693	3.3
658.13477	0.8
699.42554	1.1
722.91840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21450	0.5
55.64375	0.6
59.01100	0.8
59.01380	16.5
66.78255	0.6
69.44640	0.5
71.01367	3.6
72.91608	0.6
73.02914	0.6
74.14548	0.6
83.26504	0.6
85.02956	2.5
89.02435	3.7
92.22463	0.6
97.03020	0.6
98.36899	0.6
101.02441	4.8
113.02460	0.7
113.09705	1.0
119.03485	1.1
124.97563	0.6
137.93410	0.6
143.03500	0.8
161.04500	3.6
164.76866	0.6
179.05682	0.6
179.14456	1.1
195.13907	23.8
196.75999	0.9
216.29710	0.6
216.32269	0.6
263.11349	47.2
277.21765	24.5
295.22797	100.0
368.41086	0.7
393.26404	8.3
534.64075	0.7
614.09167	0.8
714.89667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37976	0.6
57.03442	0.8
59.01377	5.1
61.98820	0.9
71.01372	3.2
75.21735	0.6
77.19545	0.8
89.02434	3.6
97.06571	5.7
101.02437	4.6
113.02453	2.8
123.08186	2.8
125.09719	84.3
141.51482	1.0
169.08670	2.9
171.10265	1.5
183.10248	3.4
183.13866	1.4
187.09764	90.2
192.02945	0.8
211.09726	1.0
216.04691	0.7
245.34653	0.7
253.09393	2.4
261.13440	0.9
275.20190	6.8
293.21265	11.7
394.44321	0.7
423.18869	4.3
699.39789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.0
61.96363	1.2
61.98828	1.2
67.40918	1.1
70.51157	1.1
78.65599	1.2
95.91470	1.4
97.02948	9.0
118.38273	1.3
129.14137	1.2
152.99561	1.8
155.86630	1.6
174.47769	1.2
260.14758	1.6
279.23297	100.0
284.59665	1.6
304.19693	1.5
342.22922	2.0
350.08020	1.4
359.13412	5.5
377.27222	2.1
518.79871	1.4
594.21442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16334	0.6
57.49376	0.5
58.66375	0.6
59.01384	10.8
62.80189	0.6
62.96845	0.5
70.12703	0.6
71.01375	1.1
74.29572	0.5
78.46452	0.6
85.02939	1.2
94.98054	1.0
97.71101	0.6
98.59603	0.6
99.04514	0.9
101.02421	0.8
113.02440	0.8
135.04527	1.5
161.02446	7.9
267.84024	0.7
277.21710	8.1
279.23325	100.0
347.89215	0.9
539.74127	0.7
541.33807	3.0
559.10211	1.0
643.14307	0.8
699.33850	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28274	0.6
52.60236	0.6
57.91570	0.6
59.01381	14.7
60.37790	0.6
63.94577	0.7
69.95480	0.6
92.23045	1.1
97.02951	7.2
277.21741	100.0
278.22284	1.2
279.22345	3.1
295.22757	6.8
357.55316	0.7
361.15076	3.9
375.25693	3.3
658.13477	0.8
699.42554	1.1
722.91840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48606	0.7
59.01146	1.1
59.01387	19.7
62.35878	0.8
65.90718	0.8
66.31882	0.8
67.56203	0.8
69.81990	0.8
71.01373	2.1
73.02898	1.0
77.85587	0.8
78.95911	0.9
89.02431	1.6
92.22643	3.6
94.63233	0.9
96.96004	5.2
101.02431	1.9
108.46545	0.9
113.02420	1.7
118.93050	1.0
119.05014	4.1
144.86133	1.1
150.12415	1.2
151.11255	4.0
152.99631	1.3
161.04639	1.7
163.03960	4.5
165.00746	1.1
169.12350	34.7
171.10272	78.0
213.11360	4.3
217.86006	1.1
231.12343	4.2
231.17514	1.1
241.21747	4.2
249.18631	24.6
253.09370	4.2
263.11838	1.0
281.24915	1.6
606.23535	1.1
639.36206	1.3
681.38538	1.5
699.39764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40837	0.3
57.03437	0.6
59.01387	0.8
61.98835	10.1
65.28794	0.4
65.85178	0.4
67.01887	2.0
71.01394	1.8
84.08292	0.4
93.03449	12.2
111.04520	3.4
117.83997	0.4
124.01582	0.4
134.03740	11.7
136.01669	0.6
137.02454	5.1
149.06094	3.0
155.03494	5.0
163.18420	0.4
169.22444	0.4
173.04550	100.0
181.07317	0.5
191.05695	0.8
193.03333	0.8
193.05077	18.8
205.48106	0.4
320.05750	1.8
324.44867	0.5
335.07950	0.6
366.09686	5.2
367.10385	41.0
452.11447	0.7
526.15405	0.6
575.25592	0.5
617.53003	0.5
700.20441	5.3
713.57379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00754	0.6
57.03399	0.5
57.60389	0.4
59.01373	1.5
60.99291	3.0
62.20134	0.5
67.01907	6.3
71.01376	4.9
74.57892	0.6
81.03423	0.7
85.02961	0.7
87.00880	5.8
88.32433	0.6
93.03452	42.7
99.00863	0.7
108.40891	0.5
109.02878	0.7
111.04524	8.4
129.01846	0.9
134.03700	3.1
135.04507	0.6
137.02477	4.9
146.65326	0.7
155.03491	5.3
173.04549	100.0
184.03387	0.7
191.05548	1.1
193.05107	5.7
204.88742	0.6
279.06509	1.0
294.08936	1.0
300.08444	0.7
310.59854	0.6
366.09497	1.0
367.10364	16.4
437.08966	1.2
452.11389	10.1
467.13995	0.8
524.53827	0.8
526.15173	5.5
587.43304	0.7
700.20282	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
60.99308	1.0
61.98825	0.6
64.89586	0.4
67.01884	1.1
69.03476	0.5
70.71469	0.4
71.01363	0.7
85.02942	2.0
87.00859	4.4
93.03452	21.5
98.20376	0.5
111.04485	4.6
113.02435	0.6
127.03998	0.9
129.01929	0.8
134.03720	4.1
149.06082	5.0
155.03525	1.1
165.05621	0.6
173.04543	16.1
178.02800	0.7
191.05624	100.0
193.05066	12.5
194.05736	0.8
307.44724	0.5
366.09436	3.1
367.10358	51.6
395.80856	0.5
452.11646	1.7
508.14313	0.7
524.15674	2.2
526.15186	0.5
700.20532	6.2
700.31342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87643	0.6
61.56122	0.7
64.95771	0.8
72.99323	9.8
96.59807	0.6
123.04530	6.0
135.04529	21.5
151.04021	3.2
152.04311	1.2
179.03513	8.2
197.04591	12.1
248.32175	0.9
282.05411	1.0
309.07727	1.2
340.11942	100.0
502.17178	60.5
600.30322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44119	0.4
72.99297	2.7
75.29054	0.3
117.46977	0.4
119.97173	0.3
120.01190	0.4
123.04469	1.8
133.01416	1.7
135.04530	1.3
144.28606	0.4
151.04010	3.5
152.04301	0.7
179.03452	2.5
191.07224	0.5
192.06648	1.7
197.04602	4.5
204.06458	0.4
260.25006	0.4
340.11923	100.0
502.17245	41.4
503.54617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41638	0.6
59.85591	0.6
72.99308	12.9
123.04532	7.0
126.29422	0.8
135.04518	22.4
150.64349	0.7
151.04016	3.5
152.04362	1.0
179.03490	10.9
197.04570	13.4
251.72578	0.7
282.05157	0.8
292.11060	0.7
297.07712	1.2
309.07425	1.0
322.10867	1.5
340.11920	100.0
340.15448	4.5
390.36786	0.7
417.95755	0.9
502.17117	51.8
609.34570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44119	0.4
72.99297	2.7
75.29054	0.3
117.46977	0.4
119.97173	0.3
120.01190	0.4
123.04469	1.8
133.01416	1.7
135.04530	1.3
144.28606	0.4
151.04010	3.5
152.04301	0.7
179.03452	2.5
191.07224	0.5
192.06648	1.7
197.04602	4.5
204.06458	0.4
260.25006	0.4
340.11923	100.0
502.17245	41.4
503.54617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	10.0
78.08356	0.7
123.04534	1.6
135.04527	3.5
138.03235	1.2
142.65590	0.7
153.05609	0.8
179.03496	10.8
179.07117	0.9
180.07475	0.9
182.02213	11.0
197.04573	56.4
267.06696	8.0
288.02234	0.8
310.10883	41.3
325.13245	94.6
340.15570	100.0
359.09915	32.2
368.44980	0.8
375.14337	1.5
376.14703	1.1
414.78915	0.7
491.31497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.0
59.01381	18.0
59.01651	1.3
71.01379	17.4
73.02937	5.2
74.20589	0.5
74.37901	0.5
80.19698	0.6
80.93488	0.6
85.02950	1.5
89.01876	1.4
89.02435	34.1
92.23038	0.8
95.01366	0.7
99.00876	36.8
101.02431	14.4
113.02441	19.5
119.03476	12.0
122.70969	0.6
125.02478	0.7
131.03470	4.7
132.83908	0.7
143.03479	2.8
149.04517	5.7
154.65410	0.6
161.04486	5.4
177.45026	0.6
179.05661	1.2
191.05618	10.4
246.05829	0.6
247.12064	0.7
258.17133	0.7
286.65823	0.7
320.05688	11.1
345.13596	1.5
346.13812	1.3
379.16132	100.0
525.72357	0.8
538.20966	0.7
574.60284	0.7
700.24896	1.1
700.35956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.262
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54091	1.8
71.03614	1.7
72.99309	13.2
97.04942	2.0
135.04523	3.6
147.47691	2.0
179.03488	15.3
197.04549	57.0
267.06494	2.6
310.10883	28.2
325.13217	100.0
340.15561	87.1
359.09888	47.1
412.49188	2.2
591.95343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15808	0.7
55.73918	0.6
72.99307	15.2
92.52808	1.0
93.96318	0.8
97.20407	0.8
103.71262	0.9
123.04532	3.5
135.04518	3.7
142.85643	0.9
179.03523	16.2
197.04581	51.3
267.06674	3.3
282.08936	1.1
291.60696	1.3
293.58054	0.9
297.50070	0.8
310.10870	30.5
315.14157	1.0
325.13235	93.0
326.14032	1.7
340.15570	100.0
359.09912	39.9
406.92377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32865	0.8
54.65727	0.8
56.62568	0.7
57.01151	0.7
58.12312	0.7
59.68613	0.8
61.98832	100.0
63.49141	0.8
72.48706	0.9
91.79209	0.9
92.22523	1.7
94.98068	2.1
102.13889	0.8
113.38280	0.8
116.73544	0.9
122.43813	0.9
162.04553	0.9
276.26404	0.9
281.81091	0.8
457.68069	1.0
510.09503	1.0
586.16040	1.0
700.43170	1.0
727.36304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83281	0.6
56.23730	0.5
60.10089	0.6
61.98834	100.0
72.79993	0.5
73.39849	0.6
77.27058	0.6
93.48814	0.6
101.02441	0.7
112.60589	0.7
130.49890	0.8
152.99577	0.7
171.10321	0.7
226.42505	0.7
282.25067	0.7
291.65771	0.6
296.08554	0.7
406.23944	0.7
501.51590	0.7
700.38428	3.1
702.96338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11389	0.4
58.24357	0.3
59.01390	0.3
59.63787	0.3
61.93511	0.3
61.98834	100.0
63.63528	0.4
68.02424	0.3
79.57111	0.4
92.22449	0.4
97.02956	0.7
110.69440	0.4
115.75626	0.4
130.72131	0.4
142.18047	0.4
259.78345	0.4
277.21790	4.4
278.22070	5.3
279.22546	0.9
353.20901	0.5
443.68533	0.5
467.65903	0.5
546.08966	0.5
635.37872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22989	0.5
63.66661	0.6
69.82404	0.7
72.98890	1.0
72.99300	28.2
72.99694	1.3
83.58665	0.6
108.39635	0.6
111.29321	0.6
118.23401	0.7
123.04491	6.6
135.04533	23.7
138.50279	0.7
179.03503	92.5
191.05621	2.6
197.04564	100.0
215.05447	0.7
222.34219	0.7
341.08768	15.3
359.09888	83.9
397.94373	0.7
509.70898	0.7
560.76141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22989	0.5
63.66661	0.6
69.82404	0.7
72.98890	1.0
72.99300	28.2
72.99694	1.3
83.58665	0.6
108.39635	0.6
111.29321	0.6
118.23401	0.7
123.04491	6.6
135.04533	23.7
138.50279	0.7
179.03503	92.5
191.05621	2.6
197.04564	100.0
215.05447	0.7
222.34219	0.7
341.08768	15.3
359.09888	83.9
397.94373	0.7
509.70898	0.7
560.76141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15345	0.6
72.99305	27.4
85.20496	0.7
98.14392	0.7
100.67184	0.6
123.04480	6.2
135.04515	24.0
172.31308	0.7
179.03506	100.0
197.04567	99.9
279.79404	0.7
341.08798	16.7
359.09888	97.6
362.93369	0.7
383.99866	0.9
504.83701	0.9
573.93756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03048	0.6
59.01373	1.3
66.51195	0.7
70.52160	0.7
71.01370	1.1
72.99303	41.1
73.38405	0.7
87.00877	1.2
97.87431	0.8
109.02833	0.9
117.01926	4.8
121.02915	3.5
121.34932	0.6
122.03713	0.7
123.04548	9.9
133.01439	1.1
135.04514	13.5
151.04010	9.6
153.05458	0.7
165.05562	1.2
178.02739	0.8
179.03505	52.6
179.06972	5.6
180.07437	1.4
191.07196	0.9
193.05072	1.7
195.06598	1.5
197.04573	100.0
209.23792	0.7
211.06107	1.0
221.04524	1.7
239.05640	27.7
253.07338	1.0
281.06708	8.5
283.13449	0.7
304.75919	0.7
327.12430	0.8
341.08789	6.8
359.09732	2.8
375.14496	1.2
376.14929	1.5
377.15125	2.9
378.91711	0.8
431.40530	0.8
489.68442	0.9
503.14218	0.9
539.13647	6.0
539.21094	1.5
546.56921	0.8
566.81897	0.7
607.87482	0.8
663.24023	0.7
701.19489	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02800	0.8
52.95515	0.8
55.84800	0.9
72.99301	30.8
78.72362	0.8
92.23082	1.8
109.49668	0.9
123.04503	6.3
126.81009	1.1
135.04524	23.3
137.09479	0.9
140.53613	0.8
171.68221	1.0
179.03500	100.0
184.43579	0.9
197.04561	95.9
238.78673	1.2
314.04184	1.1
341.08813	21.0
348.43408	1.1
359.09882	97.2
411.14987	1.0
498.88721	1.0
630.77014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25302	0.4
59.01376	1.1
65.20589	0.5
72.99301	43.0
87.00855	0.6
89.02429	0.9
96.61932	0.6
99.00887	1.2
100.35909	0.6
107.92600	0.5
109.02924	1.3
113.02379	0.7
115.00304	0.9
117.01955	4.7
121.02952	3.4
123.04510	12.0
133.01389	1.4
135.04518	13.9
137.06126	0.5
138.63239	0.5
145.68536	0.6
149.02405	1.1
151.04033	7.9
162.71878	0.6
163.04012	1.1
165.05504	4.1
178.02695	1.3
179.03505	57.0
181.04962	0.7
191.07043	2.6
191.34753	0.6
192.07451	0.9
193.04997	0.8
197.04562	100.0
211.06064	0.6
221.04501	3.2
239.05598	28.0
253.07291	0.7
255.49751	0.6
263.05466	0.7
281.06656	7.8
311.11240	0.7
323.07797	0.6
325.13138	2.4
326.13513	1.1
327.12155	0.8
341.08829	7.5
341.15805	1.3
359.09814	2.8
389.43506	0.6
471.90472	0.6
503.14139	0.9
539.14008	7.8
539.20782	2.5
613.56049	0.6
620.19604	0.7
701.19427	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.99348	0.5
71.01367	3.0
72.99302	45.3
89.02433	1.2
99.00878	0.9
101.02428	3.0
104.10056	0.5
112.37610	0.5
113.02413	1.0
117.01926	4.5
121.02943	3.9
123.04513	10.2
131.43372	0.6
133.02957	0.6
134.03690	0.6
135.04533	13.2
137.06038	0.7
149.02409	0.7
150.03174	2.4
151.04013	10.2
165.05580	5.5
177.01836	0.9
178.02762	1.9
179.03505	55.9
181.08673	0.7
186.24120	0.6
193.05057	1.2
195.06633	0.6
197.04565	98.9
209.56630	0.6
215.05627	0.6
221.04579	3.3
235.06088	0.8
239.05603	27.4
239.08012	1.1
263.05569	0.7
281.06702	9.1
323.07632	1.1
326.13577	0.7
329.13953	3.7
340.15500	1.0
341.08780	8.1
351.16537	1.0
359.09897	2.4
464.14026	0.7
491.19070	3.5
503.13937	2.3
539.13983	9.5
539.21442	14.0
701.19421	100.0
716.39777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95306	0.6
59.01371	1.2
64.94611	0.6
71.01376	1.6
72.99303	40.5
73.66770	0.6
75.80740	0.6
85.02944	1.0
89.02431	1.4
92.22485	1.0
99.00862	0.9
101.02451	1.3
109.02934	1.3
117.01906	6.2
121.02944	1.6
123.04517	12.0
133.01382	3.0
135.04541	13.1
149.02399	0.9
150.03192	1.7
151.04044	8.1
155.35626	0.9
160.77397	0.7
165.05518	5.9
178.02698	1.7
179.03505	53.3
193.05132	1.5
197.04564	100.0
221.04530	3.2
239.05620	26.7
281.06717	8.6
288.66422	1.0
329.14011	1.5
338.41098	0.8
341.08716	7.9
350.15955	0.8
359.09836	3.1
491.19366	1.6
503.13757	1.1
539.13934	7.3
539.21460	11.1
701.19379	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94224	0.4
59.01374	0.6
71.01379	2.3
85.02952	0.8
89.02464	0.6
101.02444	1.0
102.34193	0.5
108.02168	28.4
109.02945	16.5
113.02441	1.2
116.92904	0.6
123.04514	0.7
151.04005	2.4
152.01151	54.9
153.01930	26.0
163.03992	2.2
165.01927	2.7
282.46320	0.6
282.49329	0.5
315.07266	100.0
561.37744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	63.0
65.33464	3.2
68.96917	2.8
78.60557	2.5
86.35316	3.2
92.22477	4.1
93.92905	3.1
129.37573	3.1
151.49557	4.0
156.01871	3.1
180.98177	3.6
185.93683	3.9
207.92715	3.1
265.11819	3.7
277.07431	6.7
290.08212	14.6
291.09030	3.7
304.06427	4.8
305.06949	25.2
318.07806	4.2
320.09311	100.0
329.13947	3.5
380.11398	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24099	0.7
55.55603	0.6
59.01378	0.8
67.14605	0.6
70.88640	0.6
71.01381	0.9
72.03806	0.6
72.99307	23.0
88.56099	0.6
89.02488	0.6
94.87115	0.6
95.48238	0.7
115.00418	1.3
123.04523	3.6
133.01414	4.0
135.04521	7.3
157.09375	0.7
179.03519	28.7
197.04578	100.0
215.05707	0.9
325.91763	0.7
359.09891	72.7
359.38187	0.9
396.27081	0.8
698.25330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04687	0.4
70.26510	0.4
72.99300	22.9
118.73638	0.5
123.04518	3.9
134.03801	0.7
135.04506	4.5
140.12970	0.5
145.77582	0.6
153.05615	1.9
172.63110	0.5
179.03503	29.6
182.02257	0.9
197.04567	100.0
359.09888	69.7
359.14529	0.8
614.97321	0.5
701.21454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
60.27795	0.4
63.09756	0.5
65.28927	0.4
66.02328	0.4
69.11884	0.4
70.85706	0.4
72.99306	24.9
85.99279	0.4
87.00804	0.5
90.06143	0.5
95.20674	0.5
96.96922	0.5
101.02424	0.6
108.76316	0.5
109.88931	0.5
117.02924	0.5
120.78497	0.5
123.04546	4.4
135.04509	5.9
143.16153	0.5
179.03500	26.8
197.04572	100.0
243.44005	0.5
333.20142	0.5
341.10916	2.1
359.09888	65.6
361.10376	0.6
441.42743	0.7
552.84491	0.6
676.91077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25110	1.0
59.01373	5.8
68.82279	1.0
71.01348	4.4
71.42264	1.1
76.79121	1.1
77.55878	1.1
89.02439	2.8
101.02435	3.0
104.55437	1.0
104.91135	1.1
119.05019	1.5
119.57473	1.5
147.04410	1.4
149.02419	2.7
150.03206	14.1
150.06787	1.2
161.02438	4.7
164.04805	6.6
165.05565	35.6
179.03528	1.7
179.10768	2.4
180.04250	5.9
190.02679	16.3
195.06702	14.1
205.05066	56.7
208.03670	1.7
214.99759	1.5
217.10719	1.8
223.06100	9.2
224.74217	1.2
245.51695	1.4
321.12201	1.6
381.81369	1.6
467.06952	1.4
469.17175	42.3
509.30795	1.8
613.23346	1.9
665.24640	100.0
671.26013	2.0
701.24512	9.8
701.37598	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23859	0.3
69.22188	0.3
70.98777	0.4
72.99296	2.2
99.38435	0.4
123.00884	0.8
125.03326	0.4
138.03242	6.4
141.81491	0.4
153.05557	6.5
166.99837	2.0
179.03519	1.6
182.02220	32.8
197.04559	100.0
198.04767	1.3
304.85193	0.4
310.10809	1.9
311.11252	1.7
325.13275	3.7
326.13480	4.3
340.15500	3.6
341.15887	4.7
359.09839	8.4
360.10419	0.9
425.70145	0.4
660.21912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23859	0.3
69.22188	0.3
70.98777	0.4
72.99296	2.2
99.38435	0.4
123.00884	0.8
125.03326	0.4
138.03242	6.4
141.81491	0.4
153.05557	6.5
166.99837	2.0
179.03519	1.6
182.02220	32.8
197.04559	100.0
198.04767	1.3
304.85193	0.4
310.10809	1.9
311.11252	1.7
325.13275	3.7
326.13480	4.3
340.15500	3.6
341.15887	4.7
359.09839	8.4
360.10419	0.9
425.70145	0.4
660.21912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75603	0.9
59.01384	48.2
71.01378	19.6
73.80945	1.1
82.01755	1.1
85.02954	1.8
89.02432	34.0
93.03462	2.0
95.75079	1.1
97.02944	13.3
101.02439	22.9
111.00863	1.9
113.02456	7.4
115.03989	31.7
115.44637	1.1
117.03369	1.2
119.03479	19.2
119.05070	1.3
145.02957	24.0
161.04564	1.3
163.04007	6.6
173.04550	2.1
179.05580	2.5
191.05614	24.8
192.06097	1.5
277.09341	21.0
287.10226	1.4
325.09369	6.8
337.09354	7.7
363.12146	1.5
375.13000	100.0
432.41788	1.2
460.67517	1.3
701.25677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04937	1.5
55.85459	1.4
59.01382	12.4
64.93317	1.7
71.01366	9.1
79.32175	1.7
85.03009	2.7
89.02432	7.3
92.23158	2.3
99.00810	1.7
101.02455	7.6
113.02387	2.8
117.27099	1.9
119.03502	3.1
123.04523	12.1
133.02931	3.1
134.03726	9.0
135.04533	21.3
149.06076	4.3
150.03217	3.6
153.05539	12.7
160.01642	25.7
161.02435	71.1
165.05597	6.7
173.04660	15.8
175.04007	100.0
179.03519	3.7
187.09750	2.9
192.17923	1.9
193.05070	16.5
217.10854	4.0
235.06110	9.4
257.88724	2.0
315.10696	2.8
367.10349	4.2
491.15637	68.3
505.17239	7.1
701.24774	75.0
701.37708	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
67.58595	1.1
71.43753	1.2
81.24798	1.3
87.00851	15.5
87.47078	1.1
89.02425	2.0
165.01912	22.0
175.04041	1.7
179.03505	14.1
180.04295	51.3
187.09792	2.6
191.47377	1.2
194.05865	9.5
195.06636	93.3
205.05070	2.9
210.05367	22.6
217.10782	2.9
225.07645	15.7
280.99185	1.4
286.47910	1.3
308.10593	1.4
313.10532	1.3
322.08359	1.3
323.09171	2.0
324.09894	2.7
325.10760	1.9
326.11563	5.8
327.08704	5.7
338.11453	1.5
339.08722	11.5
340.09683	2.9
341.13889	4.8
342.11200	14.5
354.11124	5.4
357.13507	12.5
369.13412	6.4
371.29562	1.4
479.26926	1.4
502.15997	1.9
505.17676	1.9
519.16583	1.7
535.19757	2.7
565.20764	9.6
608.08887	1.5
613.23071	32.2
701.24603	100.0
701.36633	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
67.58595	1.1
71.43753	1.2
81.24798	1.3
87.00851	15.5
87.47078	1.1
89.02425	2.0
165.01912	22.0
175.04041	1.7
179.03505	14.1
180.04295	51.3
187.09792	2.6
191.47377	1.2
194.05865	9.5
195.06636	93.3
205.05070	2.9
210.05367	22.6
217.10782	2.9
225.07645	15.7
280.99185	1.4
286.47910	1.3
308.10593	1.4
313.10532	1.3
322.08359	1.3
323.09171	2.0
324.09894	2.7
325.10760	1.9
326.11563	5.8
327.08704	5.7
338.11453	1.5
339.08722	11.5
340.09683	2.9
341.13889	4.8
342.11200	14.5
354.11124	5.4
357.13507	12.5
369.13412	6.4
371.29562	1.4
479.26926	1.4
502.15997	1.9
505.17676	1.9
519.16583	1.7
535.19757	2.7
565.20764	9.6
608.08887	1.5
613.23071	32.2
701.24603	100.0
701.36633	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02739	1.3
59.01374	17.8
67.98918	1.5
71.01385	15.2
72.99297	1.5
73.02952	3.7
82.91038	1.7
83.01370	1.8
85.02946	7.3
89.02450	3.9
91.62062	1.5
101.02419	16.7
113.02450	4.2
115.00378	1.6
133.01427	9.2
148.46037	1.8
149.02409	6.0
149.06071	2.9
150.03238	20.3
164.04840	2.5
165.05560	28.4
179.03500	1.8
180.04181	2.2
181.08702	9.7
190.78703	1.7
192.64601	1.8
195.06636	7.6
197.04599	2.4
197.67931	1.9
228.59846	1.7
303.80829	1.7
314.11533	3.1
325.13199	2.7
329.14023	28.8
340.15280	2.9
341.15884	3.3
343.14093	1.8
359.09955	2.1
366.71881	1.8
389.78442	2.0
441.16162	3.3
457.78391	1.7
491.19308	29.7
539.21375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10035	0.7
59.01383	65.7
62.27900	0.8
62.53335	0.7
71.01029	1.2
71.01376	9.4
85.02969	1.3
87.00852	1.5
89.02452	9.5
93.03421	3.8
101.02444	5.0
107.20002	1.1
113.02422	2.2
119.03505	4.3
137.02461	1.0
149.02415	4.4
156.28963	1.1
164.04797	36.8
164.06096	2.1
166.02669	1.2
173.04584	7.1
175.35562	1.0
179.05658	3.7
179.07127	52.6
183.06581	1.2
190.02705	7.2
193.05109	1.5
196.34790	1.1
203.35339	1.1
203.66913	1.0
205.05072	33.7
222.05412	5.6
223.06190	8.8
233.96927	1.0
297.09802	100.0
316.94849	0.9
469.17184	46.4
531.48792	1.0
543.20819	14.7
701.21802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.1
59.18111	0.8
61.10057	0.9
71.01373	15.6
75.83022	1.0
79.17720	0.8
85.02955	2.1
87.00863	4.4
89.02441	21.2
93.03449	14.6
94.03773	1.5
95.01343	1.3
101.02438	11.6
111.04451	1.3
113.02435	6.9
119.03515	7.2
149.02429	1.0
149.04489	1.0
163.03978	4.5
164.04788	5.8
166.02711	3.7
173.04529	2.2
178.06331	1.2
179.05600	4.2
179.07172	5.1
180.04218	1.2
181.05124	1.8
190.02695	2.1
191.03668	1.5
191.05603	17.0
191.07167	1.5
192.05965	5.5
205.05045	17.0
207.02957	6.1
222.05334	2.0
223.06117	6.3
230.09357	1.2
274.08612	2.2
289.10788	8.2
293.10345	1.2
297.10010	1.8
311.09256	1.5
312.10123	1.0
324.06256	4.3
339.08728	1.2
341.15393	1.0
353.06723	5.1
355.08258	1.8
356.08832	1.4
367.10349	6.6
368.10754	7.2
369.39859	1.0
371.11395	4.0
383.11523	2.2
401.12445	1.5
453.11594	1.5
454.14761	3.2
469.17197	100.0
509.31049	1.3
543.20935	15.8
701.23456	18.5
701.36798	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
63.61165	1.6
89.02445	3.6
90.95410	1.9
98.49565	2.2
101.02493	2.3
113.02425	2.0
117.65276	2.0
149.09741	2.4
150.03232	7.7
153.09225	11.6
159.04526	2.3
160.05289	25.9
161.06096	7.9
163.04019	2.6
164.04807	10.8
167.14394	2.8
173.06157	2.2
175.03954	2.6
175.07651	48.3
177.05579	3.7
178.06358	29.1
191.06953	2.2
192.07970	15.6
193.08723	10.0
205.08713	7.9
228.16112	14.2
229.16417	3.1
299.13004	2.3
314.11768	2.6
329.13974	100.0
341.13800	2.3
359.15146	9.6
402.58173	2.2
472.22791	10.9
671.27307	10.7
701.28192	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63144	1.8
59.01386	2.5
65.38526	2.7
68.62072	2.2
86.57045	2.5
88.06604	2.7
98.44418	2.3
126.05544	2.6
129.67889	2.7
150.03249	2.8
164.04742	4.4
176.01196	5.2
177.82660	2.9
190.02811	16.8
191.03520	52.7
205.05064	28.8
209.04587	3.7
219.94461	2.6
601.10211	2.9
701.31860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.9
59.01654	2.7
62.22820	1.8
63.02293	1.2
63.25245	1.5
71.01382	31.4
73.02941	6.7
85.02934	8.0
86.00118	1.7
87.00864	36.8
89.02445	50.8
94.71638	1.6
97.02966	2.1
101.02438	31.1
101.99590	1.7
111.00816	1.9
113.02466	19.0
119.03503	16.7
125.02441	2.5
131.03476	3.5
141.01935	2.7
143.03555	3.1
161.04564	9.7
164.06792	1.7
179.05576	14.2
221.06755	6.8
251.30989	1.6
299.20215	6.4
313.21555	1.7
317.21234	6.0
321.08151	2.1
323.09930	2.1
350.09390	1.8
389.23599	16.7
639.18359	2.7
641.21222	3.8
641.31915	100.0
657.20148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23488	0.9
59.01377	17.5
61.47698	1.1
64.56713	0.9
71.01391	5.5
72.99316	1.6
76.46960	1.0
85.02958	2.2
87.00875	1.6
89.02454	6.7
92.22421	1.5
101.02441	7.4
109.06606	2.3
113.02444	2.5
119.03481	2.4
123.08166	5.0
135.08162	2.8
141.09204	2.2
150.06825	8.5
152.52759	1.2
153.09218	19.3
160.01692	1.3
161.02327	1.2
165.05536	1.5
173.04616	2.7
175.03996	5.9
179.03471	1.5
179.10806	8.2
180.04292	1.9
187.09770	24.9
193.87199	1.3
195.06659	1.9
217.10815	41.1
259.07397	1.2
279.06641	2.0
295.09241	1.5
299.20117	8.3
314.28220	1.7
317.21231	8.9
320.20050	5.9
321.20676	2.0
350.21039	7.8
351.21783	4.6
375.40808	1.2
438.09555	1.7
444.94525	1.2
452.11639	1.9
453.11945	7.9
474.30124	2.3
479.26544	60.5
495.90100	1.5
502.29480	1.3
505.17206	6.0
520.30499	6.6
521.31647	10.9
526.15143	5.4
527.15442	23.9
641.31927	8.8
683.36047	1.5
701.23700	6.0
701.37708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49612	0.6
59.01373	1.9
72.99287	0.8
75.24356	0.7
77.56396	0.8
87.07275	0.7
89.02422	1.3
97.06586	1.2
101.02421	0.7
104.54736	0.7
109.06572	4.1
111.04538	0.8
113.02444	1.3
123.08138	4.5
135.08170	4.3
138.06888	1.4
141.09203	4.8
150.06880	7.6
153.09206	18.8
155.10837	1.3
169.16534	0.8
171.10339	0.9
178.28929	0.7
179.10785	11.0
187.09776	30.1
217.10814	45.5
218.60167	0.8
229.10706	0.8
243.48492	0.9
320.19821	6.8
321.20755	4.8
336.19376	1.3
341.19708	3.3
350.20966	8.2
351.21753	6.9
439.28638	1.2
474.30167	1.5
502.29782	2.9
503.30173	1.0
520.30554	9.0
521.31274	16.8
683.35931	2.6
695.17316	0.8
701.37683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
64.00650	1.0
67.49952	1.2
71.01393	4.3
72.99313	1.3
85.23411	1.1
87.00876	7.3
89.02428	4.7
92.22554	1.2
101.02435	2.5
104.04749	1.0
106.04847	1.1
109.06569	1.9
113.02435	2.6
119.03413	1.2
123.04530	1.2
123.08167	2.2
135.08183	5.6
138.06903	1.3
141.09184	2.4
150.06877	7.5
153.09201	17.0
161.02417	1.4
165.01918	2.3
165.05508	1.4
175.04070	2.3
178.00668	1.2
179.03534	4.7
179.10747	9.2
180.04294	10.2
187.09749	21.7
194.05905	1.2
195.05025	2.0
195.06642	26.3
197.04480	1.3
210.05354	2.6
217.10805	44.1
225.07669	4.7
246.10280	1.1
254.55164	1.6
263.85721	1.1
280.06998	1.4
294.08749	2.1
299.20090	5.6
317.21243	7.4
320.19876	5.0
321.20758	2.7
326.11526	1.3
328.09622	1.5
339.08893	1.6
341.19888	1.9
342.11234	1.6
350.21005	5.2
351.21695	4.4
369.13425	1.8
438.09424	1.4
452.11441	1.8
453.11923	11.3
474.30096	1.4
479.26520	42.3
503.30405	2.0
505.16998	5.1
520.30438	6.5
521.31586	13.4
526.14777	1.6
527.15448	21.0
565.20990	2.7
613.23053	7.4
641.31836	4.7
683.36432	2.5
701.24524	26.8
701.37537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.403
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66041	1.3
64.53999	1.2
77.06770	1.1
87.18999	1.1
89.49356	1.1
104.48344	1.2
149.21036	1.4
160.74405	1.5
166.77780	1.4
168.74457	1.2
177.38084	1.5
205.02484	2.5
231.07793	10.3
233.05484	2.3
243.07573	2.0
247.07266	32.5
252.24518	1.3
254.69455	1.4
255.23294	2.2
257.05618	11.4
273.05023	2.0
285.08926	1.9
289.08395	2.9
307.09323	5.5
311.06528	1.7
319.09415	7.7
332.06805	1.7
333.07339	2.7
351.08441	2.3
597.39301	8.9
677.96472	1.6
701.40161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73640	1.9
54.03956	1.6
77.43288	1.8
90.44319	2.0
143.38921	2.0
166.84795	2.2
205.02524	3.6
207.79645	2.1
229.06068	2.5
231.07762	8.5
247.07278	42.2
255.23358	2.5
257.05667	11.3
259.07486	3.0
275.06903	2.3
285.08829	3.2
288.23685	2.6
289.08289	8.4
307.09311	4.7
319.09457	3.9
333.07281	2.3
351.08139	2.9
527.90314	2.3
597.38965	10.2
701.40320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46477	0.5
56.01160	0.5
56.93358	0.5
59.01392	4.7
61.98830	0.9
78.95894	2.6
94.98071	0.8
97.02934	11.9
104.94998	0.6
150.01509	0.6
152.99564	3.2
154.12460	0.6
155.39017	0.6
188.46396	0.6
255.23343	2.6
267.19586	0.6
279.23303	100.0
280.23703	0.6
361.15118	7.7
377.27139	2.1
474.04782	0.8
543.34875	0.8
641.38751	1.1
701.42853	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42013	0.8
51.67844	0.8
59.01391	10.1
61.98842	0.9
61.99171	0.8
66.80655	0.8
71.01373	1.6
74.83385	1.0
78.95923	1.4
82.13876	1.0
86.70184	0.9
96.20647	0.9
110.31852	0.9
113.02556	0.9
115.27692	1.0
154.68326	1.0
161.68787	1.1
208.33293	1.0
251.20367	1.0
263.11313	2.0
279.23309	100.0
281.12372	4.1
310.08530	1.1
356.27441	1.0
543.35455	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53735	0.2
59.01376	4.1
62.33593	0.2
73.89171	0.3
95.26260	0.3
97.02942	9.0
99.04526	0.5
103.39326	0.3
114.62319	0.3
117.35548	0.3
136.96703	0.3
146.42130	0.3
154.48109	0.3
255.23166	0.3
281.24872	100.0
359.13455	4.5
379.28555	3.0
424.47433	0.3
485.17542	0.3
540.71600	0.4
543.35382	0.5
641.39099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50618	2.2
59.01363	1.9
72.99301	37.8
82.50336	1.8
94.18250	2.1
121.02959	8.5
122.03723	2.8
123.04521	17.8
133.02956	3.5
134.03738	19.5
137.02475	4.4
139.03918	2.3
150.03218	16.9
151.04013	11.4
178.02710	27.7
182.05847	3.8
197.08080	3.0
211.06148	2.2
254.33571	2.2
316.06189	8.5
438.98849	2.3
586.13635	100.0
642.32019	3.0
666.03467	2.5
702.17950	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26330	0.8
62.81298	0.7
68.28292	0.7
72.99287	0.8
85.02928	0.9
89.03958	1.4
91.01894	6.8
92.22525	1.8
93.03434	8.7
108.02165	5.6
111.04536	7.6
117.03461	8.0
123.04517	20.7
129.01959	1.1
134.03738	96.5
149.06071	16.7
152.52388	0.9
155.03499	9.8
173.04568	32.8
173.06042	3.6
191.05591	5.7
193.05063	90.5
194.05440	1.4
279.06573	1.4
295.09698	1.5
305.06787	4.3
316.05908	1.2
320.09387	4.3
367.10324	11.5
369.10693	1.4
438.09399	1.2
439.10349	3.2
453.12344	10.9
454.13077	9.8
468.14362	6.1
528.16675	100.0
702.09961	1.3
702.21558	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26330	0.8
62.81298	0.7
68.28292	0.7
72.99287	0.8
85.02928	0.9
89.03958	1.4
91.01894	6.8
92.22525	1.8
93.03434	8.7
108.02165	5.6
111.04536	7.6
117.03461	8.0
123.04517	20.7
129.01959	1.1
134.03738	96.5
149.06071	16.7
152.52388	0.9
155.03499	9.8
173.04568	32.8
173.06042	3.6
191.05591	5.7
193.05063	90.5
194.05440	1.4
279.06573	1.4
295.09698	1.5
305.06787	4.3
316.05908	1.2
320.09387	4.3
367.10324	11.5
369.10693	1.4
438.09399	1.2
439.10349	3.2
453.12344	10.9
454.13077	9.8
468.14362	6.1
528.16675	100.0
702.09961	1.3
702.21558	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58746	0.5
56.56801	0.6
59.01395	0.8
64.59902	0.6
66.80713	0.6
66.92118	0.6
67.01884	3.1
71.01379	3.3
73.95606	0.5
80.30737	0.6
83.05022	0.7
85.02936	0.7
87.00858	0.8
93.03454	27.5
108.14196	0.6
109.02941	1.1
111.00849	0.9
111.04523	6.4
117.03469	3.0
127.10433	0.6
134.03732	21.9
137.02437	7.2
141.45734	0.6
149.06064	4.1
154.73083	0.7
155.03514	9.2
173.04547	100.0
178.02722	1.0
190.30829	0.7
191.05635	4.2
193.05070	25.7
197.71146	0.7
274.08716	1.1
307.70078	0.7
309.10443	0.7
367.10370	26.4
434.61893	0.8
508.16302	6.7
702.22058	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26330	0.8
62.81298	0.7
68.28292	0.7
72.99287	0.8
85.02928	0.9
89.03958	1.4
91.01894	6.8
92.22525	1.8
93.03434	8.7
108.02165	5.6
111.04536	7.6
117.03461	8.0
123.04517	20.7
129.01959	1.1
134.03738	96.5
149.06071	16.7
152.52388	0.9
155.03499	9.8
173.04568	32.8
173.06042	3.6
191.05591	5.7
193.05063	90.5
194.05440	1.4
279.06573	1.4
295.09698	1.5
305.06787	4.3
316.05908	1.2
320.09387	4.3
367.10324	11.5
369.10693	1.4
438.09399	1.2
439.10349	3.2
453.12344	10.9
454.13077	9.8
468.14362	6.1
528.16675	100.0
702.09961	1.3
702.21558	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
59.93066	0.5
60.99312	0.7
67.01878	1.6
71.01376	1.5
80.31574	0.6
80.32046	0.6
90.80333	0.6
93.03455	24.2
111.04507	6.8
117.03441	2.6
125.85485	0.8
134.03745	25.8
134.04720	1.2
137.02443	11.6
149.06050	6.2
155.03513	8.4
170.49530	0.7
173.04553	100.0
178.02727	3.1
191.05643	1.4
193.05070	27.8
215.35173	0.8
224.88329	0.7
255.20026	0.6
274.08743	0.7
303.85403	0.7
309.09979	0.7
367.10379	27.5
386.66470	0.8
508.16193	7.2
702.22028	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03857	1.4
57.35714	1.3
57.50042	1.1
59.01383	2.0
67.01898	2.2
69.72278	1.3
71.01376	2.1
73.28342	1.4
81.03439	1.5
83.76226	1.4
85.02939	1.6
87.00865	6.6
90.22556	1.4
93.02873	2.1
93.03455	46.3
94.59813	1.6
111.04489	10.7
134.03734	26.0
137.02423	5.8
149.06122	2.9
155.03526	7.6
163.64592	1.4
173.04555	100.0
177.25421	1.5
191.05630	94.6
193.05064	30.3
201.88577	1.9
208.52013	1.3
227.72165	1.5
239.97412	1.4
272.17883	1.9
367.10361	69.1
453.54221	1.7
508.16217	1.8
526.17053	2.1
702.22125	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92945	0.6
63.62990	0.5
66.04832	0.5
70.68884	0.6
71.01382	2.7
85.02950	0.8
89.01307	0.6
90.02771	0.7
90.50638	0.6
93.03454	11.6
97.90739	0.6
101.02484	0.9
111.04522	2.7
113.02448	1.2
116.92824	2.7
119.04996	8.1
137.02458	5.9
155.03494	4.8
161.02441	1.4
163.04015	19.8
173.04558	100.0
191.05624	2.8
205.06665	0.8
287.10300	0.8
337.09344	49.6
532.78033	0.7
702.23590	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88896	0.6
63.16936	0.6
64.22650	0.7
72.99293	10.8
75.07114	0.6
77.35264	0.7
82.08983	0.7
98.15491	0.7
100.43631	0.7
123.04512	9.5
135.04520	10.6
137.06091	4.5
158.64139	0.8
161.02422	10.9
165.08002	1.0
178.08759	1.6
179.03488	9.7
180.10301	8.6
189.04335	1.5
190.05081	1.8
197.04568	14.0
204.06628	3.9
206.08223	0.9
239.07115	1.2
241.05019	1.2
251.07054	0.8
254.05873	1.0
255.06416	0.8
267.06909	0.9
270.11356	4.4
279.06329	0.7
285.10031	3.0
296.06964	1.0
299.09094	6.1
300.12524	8.6
304.53586	0.9
310.10803	3.2
311.09268	16.8
314.13843	1.6
327.11084	5.5
342.13474	100.0
355.78372	0.8
504.18808	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70697	0.7
72.99298	11.3
87.80850	0.9
90.89703	0.8
104.08166	0.8
111.02805	1.0
112.22209	0.8
123.04507	9.9
134.18285	0.8
135.04543	8.7
137.06100	4.2
148.08861	0.9
149.06172	1.1
151.04031	1.6
161.02428	10.4
162.03230	1.8
165.07961	1.6
178.08789	1.1
179.03488	10.3
180.10254	9.2
189.04364	2.1
190.05096	1.5
191.05908	1.3
197.04556	15.4
204.06676	4.5
206.08340	1.1
239.07014	1.4
239.28787	0.9
241.05054	4.5
270.11398	4.4
279.06720	1.0
284.06787	2.1
285.10019	4.7
299.09265	7.4
300.12350	10.0
310.10889	2.0
311.09311	16.1
314.14041	1.8
327.11261	6.4
342.13492	100.0
497.09048	1.2
504.18817	89.6
563.60632	1.0
655.54700	1.1
657.75189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99716	0.8
61.97771	0.9
66.46461	0.8
66.65356	0.7
72.99298	9.2
73.48880	0.9
73.49345	0.7
88.59315	0.7
121.09963	1.0
123.04518	8.3
126.39423	1.0
135.04497	11.7
137.06116	3.8
149.02397	1.2
151.04001	6.2
152.04247	1.5
161.02423	8.3
161.73537	0.9
162.03075	1.4
176.94913	0.8
178.08769	1.3
179.03487	10.3
180.10297	9.9
189.04182	0.9
190.05122	3.3
191.05894	1.4
193.07684	0.9
197.04588	12.0
202.81520	0.8
204.06676	4.3
206.08173	1.1
231.73578	0.9
239.07118	1.4
241.05090	4.8
254.05937	1.0
269.08331	1.6
270.11255	4.2
284.07040	1.7
285.10120	4.3
299.09024	6.3
300.12344	8.2
310.10849	4.7
311.09280	21.7
312.08893	1.0
314.14026	1.6
327.11243	6.5
342.13489	100.0
496.62091	1.0
504.18817	86.5
607.03723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57734	1.3
58.24391	1.2
58.83163	1.3
61.65780	1.3
72.99306	13.7
115.00345	3.8
123.04507	8.9
133.01447	14.4
135.04553	12.5
137.06030	2.6
151.04025	1.6
161.02446	9.0
179.03525	15.1
180.10278	7.2
182.02287	2.2
197.04572	28.0
197.06247	2.4
198.04927	2.1
204.06656	2.1
206.08350	2.4
239.07037	1.6
241.05078	3.1
269.43466	1.6
299.09305	7.9
300.12445	9.5
311.09128	20.2
325.13190	3.2
326.13379	3.6
327.11145	6.2
341.15750	2.7
342.13446	100.0
347.99753	1.6
359.09680	2.5
480.14008	1.6
504.18808	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24096	0.7
50.90339	0.7
53.43031	0.7
57.76351	0.8
61.61897	0.7
61.98833	100.0
62.23570	0.7
64.30022	0.7
89.78625	0.8
90.40041	0.8
103.18184	0.8
103.39044	0.7
126.47263	0.7
130.89339	0.8
152.99631	1.3
160.61385	0.8
245.01521	0.9
300.44803	0.9
614.36530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62448	0.8
56.72546	0.9
59.01392	1.2
61.98830	100.0
63.66633	0.8
77.52966	1.0
78.95901	1.1
85.55878	1.0
87.08550	1.0
97.02940	2.3
100.87427	1.0
134.43083	1.0
152.99574	2.1
255.23265	1.2
279.23300	18.9
280.23657	21.6
281.23892	1.8
282.24207	1.1
307.89600	1.1
378.27475	1.2
534.92444	1.3
702.44348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15200	0.9
60.99302	0.7
81.71289	0.8
84.45160	0.9
86.69489	0.8
87.00868	2.1
87.68423	0.8
93.03457	21.8
111.04520	5.2
111.41357	0.8
117.03474	3.6
129.02023	0.9
134.03740	36.6
135.04524	27.2
137.02422	3.7
149.06088	11.0
155.03497	6.0
161.02437	9.2
173.04556	14.7
176.93127	0.9
178.02788	1.0
179.01913	1.9
179.03499	52.8
191.05638	69.6
193.05067	100.0
201.98967	0.9
335.07745	45.5
335.11697	2.0
348.82867	1.0
367.10385	87.1
537.97119	1.0
661.72589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92986	0.7
67.01860	1.1
87.00877	7.2
93.03454	27.1
101.00348	0.9
111.04510	10.8
116.92857	1.3
117.03448	1.1
119.04977	1.4
129.01930	0.9
134.03737	35.2
135.04523	38.7
137.02419	6.3
149.06107	8.0
155.03479	5.2
160.01605	0.9
161.02438	14.3
163.03993	4.3
173.04555	71.5
174.83249	0.8
179.03508	64.2
187.05206	0.8
191.03787	1.1
191.05635	81.4
193.05072	82.0
196.25386	0.8
239.21497	1.0
269.39624	1.0
308.36392	0.8
335.07767	55.9
367.10367	100.0
390.00186	1.1
425.14639	2.0
581.69849	1.3
703.24524	1.7
721.57782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26522	0.3
61.98839	0.6
71.28191	0.3
73.95964	0.3
78.95905	3.7
79.95728	1.6
90.55047	0.3
92.23185	0.4
94.98057	0.4
96.96002	100.0
96.96901	8.0
108.28488	0.3
142.37840	0.3
235.02686	0.4
252.14246	0.3
334.30728	0.5
444.59155	0.4
499.70154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18855	0.5
59.01406	0.8
62.65240	0.5
71.01405	0.6
74.35589	0.5
78.39352	0.6
78.95905	4.4
79.95732	0.9
91.62383	0.6
94.98072	3.0
96.96009	100.0
96.96926	14.1
113.02512	0.6
124.22893	0.6
160.97934	0.6
173.02734	0.6
178.11424	0.6
259.56534	0.6
269.50247	0.6
656.51947	0.6
703.29913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85783	0.2
56.91012	0.2
58.96758	0.2
59.01373	3.2
65.54983	0.2
71.01373	0.5
73.02939	0.5
79.17931	0.3
81.71661	0.2
85.02967	0.5
87.35532	0.2
93.03455	0.7
101.02370	0.3
119.04994	1.3
127.03993	0.3
135.04527	0.3
137.02448	0.6
150.64726	0.3
161.02452	1.9
161.04570	0.3
163.03986	3.9
173.04536	0.5
179.03473	0.5
191.05618	100.0
203.04204	0.3
263.11441	0.6
305.12454	1.8
337.09421	0.4
338.94147	0.3
353.08798	29.0
729.81866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	29.1
89.02457	0.5
101.31581	0.3
109.02971	0.6
111.13805	0.4
119.04991	2.0
122.03697	0.7
123.04520	6.5
135.04524	9.4
151.04025	0.3
153.05536	0.5
163.04021	8.0
165.05489	0.4
179.03506	35.1
181.05074	54.4
193.05057	0.6
197.04572	100.0
198.04903	0.5
211.06227	2.7
218.61172	0.4
329.08725	0.6
343.10358	30.4
354.59113	0.4
359.09885	78.5
360.10248	0.6
373.11414	2.1
457.64795	0.5
520.15881	0.4
559.69934	0.5
651.20685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63160	0.5
54.37447	0.5
72.99300	27.5
75.97676	0.6
77.40057	0.6
79.44171	0.6
119.04986	1.3
123.04499	4.4
126.11584	0.5
135.04523	7.6
163.03963	6.6
179.03503	35.8
181.05081	39.7
185.76993	0.6
186.72191	0.7
197.04568	100.0
343.10391	28.6
359.09860	88.3
359.14655	0.9
372.71738	0.9
402.24753	0.6
533.04779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56704	0.5
59.01376	1.4
62.72094	0.6
70.72879	0.5
71.01395	0.6
72.99301	29.3
89.02428	0.7
101.02404	1.1
113.02385	1.0
113.49220	0.8
119.04993	1.4
123.04506	5.4
130.54329	0.7
135.04503	8.7
151.04053	0.7
163.03999	9.0
177.74768	0.6
179.03505	32.8
181.05087	37.4
181.31859	0.6
197.04567	100.0
198.04922	1.2
211.06129	1.5
231.64810	0.8
253.07285	0.9
275.48920	0.7
279.10861	2.8
343.10394	28.0
359.09882	68.5
361.10449	1.5
569.03540	0.8
589.16040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96056	0.7
54.29036	0.5
67.92465	0.6
72.99302	28.2
72.99689	1.3
79.18768	0.6
98.66402	0.6
101.17475	0.7
101.25185	0.6
123.04508	5.2
135.04517	8.9
136.55850	0.6
160.08997	0.6
163.04033	6.6
179.03511	31.2
180.03773	0.6
181.05084	40.9
181.85959	0.6
197.04573	100.0
215.05632	0.7
241.45189	0.7
270.72809	0.7
282.15143	0.7
343.10376	20.4
359.09894	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54876	0.6
62.24923	0.6
62.87809	0.5
66.05696	0.5
72.99303	31.3
78.95905	14.0
92.23118	0.7
94.11258	0.6
96.96946	0.8
102.69087	0.7
119.05033	0.9
123.04545	5.2
135.04498	9.6
162.63148	0.7
163.03995	5.2
169.52029	0.6
179.03506	34.3
181.05089	41.1
197.04567	100.0
198.04874	0.8
325.84497	0.7
343.07544	6.3
343.10452	13.8
354.64758	0.7
359.09900	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49446	0.2
59.01379	0.9
71.01392	1.3
71.51891	0.2
73.02943	0.3
81.03474	0.4
85.02950	0.5
88.44954	0.2
89.02434	0.4
93.03434	0.3
99.00904	0.2
99.04526	1.3
101.02462	1.5
113.02440	0.9
119.05022	60.0
145.02957	0.9
159.09114	0.3
161.04553	1.0
163.04019	100.0
202.00410	0.2
205.05057	0.4
279.10883	7.4
325.09311	8.5
425.14752	0.4
527.28101	0.2
605.20605	0.5
703.24420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35562	0.4
57.99059	0.4
60.43496	0.4
65.25877	0.5
69.49989	0.4
72.89301	0.4
83.11694	0.4
92.23127	1.1
96.76719	0.4
104.75259	0.4
108.52119	0.5
111.09538	0.4
112.93017	0.4
138.09189	0.8
140.10820	23.6
140.11906	0.9
184.09795	100.0
231.09882	33.5
231.11626	0.9
232.73582	0.5
309.47748	0.7
521.25098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33097	1.2
59.01371	3.7
61.33723	1.3
61.98836	38.3
71.01381	2.4
87.00875	20.7
89.02429	1.8
101.02454	2.2
134.03712	2.1
163.03999	2.1
165.01932	18.0
179.03545	10.0
180.04294	47.1
181.05070	2.4
185.40842	1.6
193.05070	9.0
194.05814	11.9
195.02957	1.4
195.06639	68.3
202.54016	1.6
203.11868	1.7
205.04893	1.5
205.08727	6.7
207.06644	2.2
208.07451	11.0
210.05310	11.7
217.10840	1.5
222.09035	3.6
225.07680	12.7
316.01538	1.7
344.12317	2.5
345.13651	5.7
359.15048	29.8
490.65326	1.8
522.42999	1.8
529.16980	8.2
552.20007	7.1
567.22028	11.1
615.24652	25.7
703.26160	100.0
703.37396	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55705	0.8
57.40323	0.9
59.01384	34.4
63.70801	1.0
71.01376	24.5
73.02923	4.7
83.01366	1.1
85.02925	5.9
89.02450	17.4
92.22515	1.1
93.03427	1.4
96.95959	1.0
99.00851	1.8
101.02444	20.1
113.02431	15.3
119.03438	5.3
123.04479	6.4
135.04541	36.9
153.05585	15.7
159.03035	1.0
161.02347	1.0
161.04599	1.3
163.11247	1.4
175.03940	1.9
177.05597	1.2
181.12338	30.4
184.09714	2.4
191.05571	2.0
193.05058	2.3
195.13908	17.9
207.10271	1.8
223.13306	2.1
225.11345	23.0
239.12926	1.1
267.12216	4.7
297.09827	12.6
315.10846	10.3
353.94678	1.1
372.64474	1.1
478.69061	1.3
480.25742	1.1
523.21942	42.0
547.07257	1.3
643.33221	5.4
661.34125	1.8
686.92737	1.2
703.27850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
59.01377	15.4
71.01379	25.0
73.02938	9.2
83.01360	2.1
84.61286	0.9
85.02952	11.9
89.02452	11.4
95.01389	2.5
99.00871	1.9
101.02439	28.7
111.00874	1.0
113.02445	18.0
119.03517	6.2
125.02399	2.3
143.03476	1.7
161.04567	9.0
161.26341	1.0
177.05482	1.2
319.22913	2.3
330.13687	1.1
349.75192	1.0
479.47034	1.3
481.28336	2.1
643.33411	100.0
703.36938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49308	1.8
51.70848	1.7
59.01384	25.4
63.60471	2.4
70.90405	2.2
71.01376	25.6
85.02954	4.4
89.02435	22.6
92.22532	2.7
98.47740	2.3
101.02425	27.2
113.02454	12.2
119.03486	5.8
120.93169	2.7
125.02435	5.3
143.03468	2.9
161.04572	4.9
179.05618	4.5
210.75275	2.4
212.49921	2.3
219.83083	2.3
221.00938	2.2
319.22821	17.5
323.09799	3.6
643.33405	100.0
655.86536	2.9
659.18573	4.0
701.04895	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55442	0.4
56.13062	0.6
59.50661	0.5
78.95905	100.0
84.29538	0.6
96.96957	5.9
121.30245	0.5
152.99588	36.5
171.00597	0.7
255.23317	69.9
267.19678	16.2
278.78430	0.6
293.17603	7.3
311.22174	1.3
355.16449	0.7
391.22348	3.0
490.03333	0.7
563.49603	0.7
685.40576	1.1
703.42157	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54737	0.4
53.69438	0.4
65.28799	0.5
78.95901	100.0
81.08701	0.5
96.96955	6.1
106.33887	0.6
124.54851	0.5
147.80571	0.6
151.35934	0.5
152.99577	30.7
221.49413	0.6
249.18422	0.9
255.23311	66.8
267.19659	14.9
293.17657	6.8
311.18839	0.7
349.50839	0.6
391.22507	3.0
447.17868	0.6
685.41187	2.3
703.42029	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43600	1.3
58.33426	1.2
61.78640	1.4
62.30812	1.6
67.01887	6.4
71.01389	3.3
84.15798	1.5
85.02934	2.6
87.00854	12.9
93.03447	59.1
108.02150	1.6
111.04515	10.4
113.07337	1.6
113.22499	1.4
123.04510	12.7
129.28624	1.4
131.26846	1.5
134.03783	2.3
142.89627	1.6
148.05270	3.3
150.03145	1.5
154.56331	1.4
155.03485	3.3
160.04089	2.5
161.04803	38.1
161.06012	2.6
162.05649	1.7
164.04784	1.8
165.05496	2.5
173.04553	62.5
176.07167	24.3
178.05029	2.4
190.05089	11.7
191.05623	100.0
279.06631	2.3
280.07315	3.0
284.07126	1.6
294.08929	3.1
297.10123	2.8
298.51025	1.6
307.08316	3.1
312.12421	15.8
332.09308	3.6
441.12213	6.3
456.14664	22.9
471.16998	10.5
486.19434	11.2
508.19925	1.8
530.18292	61.4
656.25269	2.6
704.19867	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.7
67.01897	2.0
71.01359	5.3
87.00864	2.3
88.14975	1.0
89.02428	1.3
91.01866	1.8
93.03453	1.6
95.01390	2.1
101.02452	2.1
108.02166	10.6
109.02924	1.8
111.00854	1.6
113.02455	1.4
122.03742	1.2
123.00879	22.9
123.04510	29.3
125.02456	5.8
130.08751	1.0
130.47195	1.1
131.19487	1.2
136.01669	26.9
136.02631	2.2
149.99533	4.7
150.03206	2.4
151.00146	1.1
151.04004	22.3
152.01161	6.0
153.05551	1.4
155.03407	1.2
160.03967	1.5
161.04839	8.1
164.01141	7.3
165.05606	1.9
166.02640	2.2
167.03481	32.4
168.00653	10.1
169.01031	2.2
173.04480	10.3
175.00378	1.3
175.09167	1.0
176.07152	6.7
179.03529	14.6
192.00662	6.5
193.05009	2.1
197.39024	1.3
207.02995	78.0
208.03778	2.0
209.04555	11.8
219.06621	1.3
279.06668	2.0
316.06265	2.2
332.05655	7.6
344.05719	11.0
347.07974	14.6
360.05200	2.0
362.10333	2.2
371.09760	4.6
374.10449	2.1
375.07108	1.2
456.14374	5.5
471.17084	2.1
481.13403	1.4
486.19104	2.0
494.08917	5.4
524.13458	4.9
530.18188	16.9
542.14642	33.0
554.16809	2.0
568.18445	1.6
644.34082	9.3
677.67444	1.3
704.19800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98078	1.3
59.01380	15.1
65.23638	1.6
68.56158	1.4
71.01393	7.7
73.02903	1.8
86.31107	1.6
89.02441	7.2
98.89491	1.6
101.02441	7.7
103.93806	1.5
113.02422	6.8
119.03493	3.7
149.02432	6.2
158.73093	1.5
164.04793	44.9
179.07158	23.5
179.12993	1.5
190.02702	19.7
205.05067	77.1
206.05867	27.3
208.03792	13.4
221.08232	47.6
223.06114	89.9
232.03751	2.4
237.07722	9.4
247.06122	6.8
250.04877	7.8
265.07190	100.0
275.78543	1.5
295.08218	39.6
325.09277	56.3
344.40555	1.7
385.11429	84.1
614.16772	3.6
644.17188	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52845	1.1
59.01373	1.5
63.57218	0.9
67.01865	6.5
71.01366	2.0
72.59660	1.0
85.02941	2.8
87.00861	12.1
93.03453	53.3
105.00583	1.1
108.02161	5.2
111.04527	9.9
123.04523	22.6
134.03696	1.7
136.01630	2.4
137.02452	1.4
148.05280	1.7
149.06039	1.5
150.03270	1.8
151.03993	1.9
155.03471	4.8
160.04013	1.9
161.04825	24.7
165.05623	1.7
167.03432	2.2
168.09956	1.0
173.04552	49.4
175.06354	1.5
176.03383	1.5
176.07173	14.9
178.05106	2.4
179.03514	1.7
190.05103	9.5
191.05634	100.0
193.05031	1.8
207.02963	5.3
273.26288	1.3
280.07394	4.5
294.08838	2.0
297.09854	1.9
305.74789	1.3
312.12430	12.1
329.87973	1.3
332.09174	1.9
456.14594	16.8
471.16837	6.1
486.19321	7.7
530.18280	39.7
542.14581	2.0
704.19885	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99644	1.0
51.58091	1.1
63.15834	1.1
74.10796	1.2
74.55617	1.1
77.22195	1.0
82.58850	1.2
84.23787	1.3
87.00857	1.6
91.01875	17.0
93.03445	15.8
108.02168	24.6
109.02973	1.4
111.04510	10.1
123.04514	100.0
134.03746	14.6
141.03461	8.8
143.05034	6.1
149.06084	9.6
155.03525	11.0
160.04033	5.0
161.04823	63.5
162.05499	1.2
173.04546	52.3
174.04893	2.9
175.05055	2.7
175.06436	2.4
176.07176	30.9
190.05113	57.3
191.05638	43.0
193.05075	10.8
198.22446	1.3
214.60091	1.3
278.05746	1.4
279.06616	7.3
280.07431	26.3
293.08179	8.2
294.08942	5.7
295.09882	11.1
307.08463	2.5
309.11295	2.0
320.09515	2.2
332.09241	9.6
348.12457	2.6
367.10626	4.8
390.54272	1.3
438.13696	6.0
441.12079	9.4
443.73990	1.5
456.14621	39.8
470.15594	1.6
471.16995	14.5
486.19257	18.3
497.87515	1.3
530.14929	90.4
675.28802	1.4
704.21002	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13603	0.6
58.80777	0.6
60.35408	0.7
60.99327	0.8
63.66782	0.6
65.27843	0.8
67.01894	1.6
78.78524	0.7
83.74620	0.8
87.00867	5.7
93.03445	23.6
96.58788	0.7
102.65662	0.7
111.04514	4.5
111.19868	0.8
130.11661	0.7
133.16116	0.8
134.03777	1.8
151.39296	0.8
159.97542	0.8
173.04591	13.3
175.03969	1.5
191.05627	100.0
192.05991	4.0
193.04959	7.1
209.85893	0.8
305.79745	1.0
349.35248	0.9
367.10349	52.8
368.10800	0.9
369.10767	1.7
650.95563	0.8
704.21411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.1
61.14198	0.9
61.98808	1.6
81.31715	1.0
81.60933	1.1
85.66758	0.9
93.03457	5.7
109.01867	1.2
111.04512	2.2
123.04476	1.4
124.01617	1.6
125.02438	4.2
133.01732	1.1
134.03755	11.4
147.03294	1.2
149.06105	9.1
149.99544	2.4
155.03539	2.1
160.04048	8.8
161.04819	78.2
162.05641	2.4
166.99846	1.8
168.00658	12.9
169.01025	2.5
173.04544	29.5
174.05553	1.9
175.03987	1.6
175.06314	3.5
176.07162	42.5
179.03365	1.4
191.05621	3.9
193.05069	7.9
207.02960	1.4
223.06152	2.4
224.06512	1.5
255.74997	1.0
279.06613	5.7
294.09003	12.1
295.09857	1.5
307.08698	1.6
309.11401	2.3
317.06696	1.2
332.09305	8.3
348.12372	2.3
353.08786	1.7
367.10208	1.3
440.10846	1.2
441.12094	11.9
456.08127	2.1
456.14554	49.8
456.20700	2.0
470.16043	2.3
471.16910	21.3
486.19312	22.2
530.18268	100.0
668.22766	1.8
679.03650	1.4
704.20221	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01590	0.7
71.01392	3.5
83.05013	1.0
85.02950	4.0
86.43218	0.9
87.00864	5.1
89.02418	1.3
90.18012	1.1
93.03448	23.1
108.02174	2.3
111.04507	5.8
123.04539	14.0
127.04057	1.0
134.03770	10.6
143.47891	1.2
149.02438	1.2
149.06099	11.8
155.03497	2.3
160.04027	4.9
161.04816	62.0
162.05479	1.1
164.04802	5.3
165.05063	1.2
173.04555	25.5
173.05917	1.8
174.05096	1.2
174.35547	0.9
175.05022	1.3
175.06409	2.1
176.07179	37.3
190.05104	5.1
191.05621	100.0
193.05045	4.5
223.06094	4.9
224.06468	1.9
245.60168	1.0
279.06644	4.7
280.07480	2.3
294.09045	4.8
295.09720	1.5
307.08594	3.9
309.11395	2.2
317.06766	1.3
318.59827	1.0
320.09290	1.5
332.09225	7.4
348.12543	1.8
367.10321	17.7
371.09988	1.5
441.12079	7.0
456.14584	41.7
470.15707	1.8
471.16983	14.4
486.19275	11.6
527.68134	1.3
530.18610	65.6
668.22736	5.8
704.23547	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68611	0.3
59.01367	0.4
60.99307	0.5
67.01891	1.4
70.29601	0.3
71.01388	1.7
82.41377	0.4
85.02936	0.5
87.00848	5.6
93.03444	20.2
99.04444	0.6
111.04505	5.2
113.02462	0.5
125.34579	0.4
127.03981	0.5
129.01958	0.9
134.03741	1.9
155.03496	1.8
158.06900	0.4
159.93134	0.5
162.26823	0.4
169.43471	0.4
173.04559	9.9
178.02895	0.6
191.05626	100.0
193.05013	6.1
288.12299	0.5
296.72995	0.5
367.10361	51.7
396.46448	0.4
530.25946	0.5
631.52942	0.4
704.23529	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58534	0.3
54.77553	0.3
56.73189	0.4
61.53463	0.3
73.84750	0.4
76.56660	0.3
79.09367	0.3
93.03484	0.6
109.34414	0.3
111.04503	1.6
114.26015	0.3
117.03461	2.4
134.03740	37.8
137.02525	0.4
149.06070	8.8
155.03523	3.3
167.34930	0.4
170.96799	0.4
173.04570	3.5
191.05649	5.2
193.05070	100.0
224.93375	0.4
367.10376	53.2
367.46121	0.4
405.42758	0.5
434.55652	0.4
527.15588	0.5
530.04034	0.4
530.18353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84717	0.6
60.69515	0.5
75.62494	0.5
76.96320	0.6
82.28326	0.6
88.58439	0.6
91.43313	0.5
111.04530	0.9
117.03476	1.4
134.03740	38.2
140.02249	0.7
149.06088	10.8
155.03537	3.2
173.04585	4.8
191.05597	5.9
193.05069	100.0
367.10385	56.8
367.15134	1.5
530.17963	3.0
603.94354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14244	0.9
66.08660	0.9
66.75309	1.0
71.01388	1.2
74.90166	1.0
77.66663	1.0
93.03449	6.9
97.64504	1.1
111.04521	4.1
111.08289	1.0
129.36261	1.3
134.03732	10.1
135.04485	2.1
147.03275	1.1
149.06071	7.3
155.03520	4.1
160.04076	9.0
161.04829	68.6
161.06174	2.4
162.05614	1.6
173.04562	29.7
174.05620	1.8
175.06386	2.8
176.07164	36.8
179.03526	7.4
191.05649	10.8
193.05124	2.7
230.55836	1.1
243.62086	1.1
269.23206	1.3
275.51227	1.5
279.06674	7.4
294.08960	6.2
307.17484	1.2
309.11258	4.6
318.07462	1.6
332.09265	8.5
348.12619	2.5
353.08655	8.7
441.12228	10.4
456.14633	43.2
470.15872	3.9
471.16943	16.1
486.19370	17.7
530.18274	100.0
704.23151	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74574	0.9
59.01374	3.7
66.53127	0.9
67.01874	2.2
71.01377	1.9
73.45878	0.8
75.55862	0.9
76.84756	0.8
85.02977	1.0
87.00900	1.3
93.03448	21.1
107.38324	0.8
108.02147	1.7
109.04549	1.0
111.04523	4.7
123.00898	1.1
123.04504	6.0
134.03729	7.5
135.04463	1.5
136.00623	0.8
136.01656	6.2
137.02428	5.1
147.03233	1.3
149.06058	6.1
150.03204	1.7
151.03981	5.2
155.03482	4.3
160.04053	5.4
161.04820	72.4
162.05638	1.8
165.05519	1.4
167.03560	5.5
173.04549	67.5
174.05579	2.1
175.06435	2.1
176.07173	40.3
178.05089	1.7
179.03474	3.4
190.05151	3.6
191.05644	16.4
193.05069	4.8
207.03059	12.2
209.04689	1.4
279.06628	7.3
294.09250	6.8
295.09686	1.2
297.10339	1.2
307.08386	2.3
309.11340	3.7
312.12463	6.4
317.06894	1.8
320.09082	1.4
332.05801	1.2
332.09250	8.6
347.08014	2.1
348.12500	4.8
353.08951	1.4
367.10306	2.2
441.12427	12.0
456.08185	1.5
456.14615	46.0
456.20691	2.0
471.16916	19.9
486.13104	1.2
486.19409	19.0
508.19830	1.1
530.18286	100.0
542.14746	3.9
637.01508	1.0
704.20911	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22543	0.7
59.01381	0.7
60.99306	0.7
67.01894	1.2
68.32436	0.8
72.05544	0.9
85.02962	1.0
87.00857	8.0
93.03448	26.8
111.04512	6.2
116.56017	0.8
129.01917	1.7
134.03729	4.7
148.06766	0.8
157.16484	0.8
173.04550	9.3
175.03992	1.4
179.03416	1.2
191.05627	100.0
193.05081	8.3
199.39813	1.0
213.53130	0.8
216.74974	0.9
322.14792	1.1
355.88556	0.8
367.10376	48.6
537.88965	1.0
626.05927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58174	1.9
57.84481	2.0
59.28224	1.8
67.01875	4.1
71.01382	3.4
81.03495	2.1
85.02934	9.9
87.00881	10.7
91.01884	3.3
93.03451	47.4
108.02168	4.8
111.04485	11.8
123.04528	31.3
134.03729	12.2
137.02493	4.3
142.08586	2.1
149.06073	12.8
151.73625	2.3
155.03517	4.3
160.04034	10.2
161.04823	74.5
162.05637	4.2
169.94400	2.3
173.04543	70.0
175.03943	2.6
175.06435	2.7
176.07166	56.7
187.81781	2.0
188.10374	2.7
190.05035	18.7
191.05638	75.3
193.05063	10.2
197.34361	2.4
279.06635	5.4
280.07431	12.0
283.51648	2.6
294.08826	8.4
295.09879	4.0
307.08502	4.0
309.11182	2.9
332.09372	8.4
348.12674	3.4
367.10327	5.0
441.12134	10.4
456.14575	57.9
471.16986	29.2
486.19247	26.6
530.18774	100.0
704.23529	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28107	1.4
59.01381	1.5
59.16805	1.3
61.45682	1.3
68.64030	1.3
71.01394	5.5
72.99292	17.4
96.00896	2.5
101.16683	1.4
101.46973	1.5
109.01680	29.5
123.04500	1.7
130.08730	100.0
135.04462	3.0
135.79460	1.8
135.83595	1.7
136.53580	1.5
138.09233	1.5
140.10820	11.9
142.08704	15.8
166.08728	30.4
179.03496	17.3
184.09781	10.1
186.07671	5.9
197.04579	36.3
210.07738	88.8
228.08740	26.6
246.09816	90.9
288.35519	1.8
359.09958	9.0
383.48160	1.6
457.13513	41.6
539.28979	1.6
575.61115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48654	0.3
57.82740	0.3
59.01382	1.6
61.98834	100.0
71.01387	0.3
89.02438	0.4
90.75089	0.3
92.22522	0.4
101.02448	0.4
102.52256	0.3
107.56837	0.3
112.08311	0.3
233.78265	0.3
298.10019	0.6
299.10489	0.5
300.10617	0.3
406.53775	0.4
408.69604	0.4
416.24030	0.3
472.18164	0.5
535.76910	0.4
704.29340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28107	1.4
59.01381	1.5
59.16805	1.3
61.45682	1.3
68.64030	1.3
71.01394	5.5
72.99292	17.4
96.00896	2.5
101.16683	1.4
101.46973	1.5
109.01680	29.5
123.04500	1.7
130.08730	100.0
135.04462	3.0
135.79460	1.8
135.83595	1.7
136.53580	1.5
138.09233	1.5
140.10820	11.9
142.08704	15.8
166.08728	30.4
179.03496	17.3
184.09781	10.1
186.07671	5.9
197.04579	36.3
210.07738	88.8
228.08740	26.6
246.09816	90.9
288.35519	1.8
359.09958	9.0
383.48160	1.6
457.13513	41.6
539.28979	1.6
575.61115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	25.9
59.88586	13.6
61.98828	16.1
70.52081	15.4
71.01382	68.6
73.02923	17.8
85.02946	25.8
87.27723	14.4
101.02406	27.3
102.69476	17.9
106.13051	15.1
132.29688	18.5
161.04546	100.0
214.84456	15.9
376.12656	17.1
461.76367	20.9
535.70844	18.1
563.20831	25.1
704.27448	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50208	0.8
57.96706	0.6
58.14781	0.6
61.84971	0.6
61.98831	100.0
70.26672	0.7
82.00280	0.7
82.44691	0.8
82.57760	0.8
84.75024	0.6
86.65900	0.7
87.29813	0.6
93.87824	0.8
100.96931	0.8
103.53580	0.9
108.27931	0.8
148.38539	0.9
193.58554	0.7
203.81784	0.7
255.23331	1.8
256.23605	1.2
533.35394	0.8
704.45978	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89489	0.3
52.21609	0.3
52.97051	0.3
56.91052	0.3
57.38387	0.3
65.35201	0.3
69.66377	0.3
71.01387	0.4
76.19289	0.3
78.95918	2.8
79.95734	0.8
94.98089	0.5
96.96005	100.0
96.96894	5.8
149.02435	0.4
151.72182	0.3
164.04803	2.1
223.06119	2.3
249.63264	0.3
349.99255	0.3
365.07446	0.4
450.89630	0.4
607.20477	0.7
641.67657	0.4
645.34991	0.6
666.21173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37369	1.1
56.77502	1.2
58.96412	1.1
59.00483	1.4
61.62978	1.2
65.88136	1.5
66.60438	1.5
102.32122	1.4
108.02178	2.8
119.05049	1.8
122.03730	2.7
123.04510	22.1
136.01683	5.6
147.04550	2.5
151.04018	37.4
266.08185	1.8
279.06592	2.6
293.16162	1.7
296.09293	2.1
306.07791	3.4
307.06137	2.7
324.08795	98.8
352.08295	100.0
612.43652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43136	0.5
59.01374	1.2
69.38020	0.6
71.01369	0.7
79.24523	0.6
85.02943	0.9
87.00880	4.2
93.03443	17.2
99.00954	0.7
109.02976	1.0
111.04510	4.4
116.92812	0.8
117.94740	0.8
119.05019	15.8
134.03723	14.2
137.02464	0.8
149.06017	1.6
153.01866	2.6
155.03531	2.7
161.02477	0.7
163.02637	1.4
163.04007	43.0
173.04555	11.9
191.05629	100.0
193.05067	38.4
199.40990	0.6
205.05048	1.4
206.08229	1.2
217.03406	0.8
221.25890	0.7
229.01410	3.3
269.08176	0.8
295.06195	0.9
315.77182	0.9
337.09329	41.4
339.05133	1.4
367.10388	40.5
513.10309	1.1
525.78357	0.7
705.18591	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93790	0.3
56.55809	0.4
57.03439	0.4
59.01377	2.0
60.96430	0.4
66.49438	0.4
71.01382	0.6
85.02943	3.0
87.00870	2.1
89.02435	0.5
89.61651	0.5
91.45196	0.4
92.22451	0.5
93.03461	4.2
101.02451	0.6
111.04506	0.9
114.93530	0.5
123.77936	0.5
127.04008	2.6
132.23849	0.5
145.02936	2.1
155.03455	2.2
163.04056	0.9
167.03482	0.8
173.04538	3.8
191.05624	100.0
193.05109	1.0
199.02315	0.6
199.09795	2.3
217.03545	1.8
226.06505	0.6
227.07173	1.8
241.08736	2.0
255.10254	0.7
273.11340	0.5
280.07291	0.6
295.09692	0.8
339.08646	0.7
357.09979	2.1
379.10846	1.0
379.16119	4.2
676.17218	0.5
705.20447	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05784	0.5
56.68956	0.5
56.83224	0.6
59.01376	0.8
67.01873	0.9
71.01386	1.0
87.00861	1.1
91.53617	0.7
93.03454	12.6
111.04521	3.4
112.57317	0.7
119.04984	6.7
137.02463	4.3
155.03499	4.5
163.04002	18.4
173.04550	100.0
191.03813	0.9
191.05618	23.9
193.05081	1.0
210.75945	0.7
216.01288	0.8
332.83762	0.7
337.09378	40.2
338.09753	1.0
367.10370	8.0
497.82056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20591	1.0
54.35415	1.2
66.51752	1.1
73.45062	1.4
89.83651	1.0
92.22491	2.3
93.03457	6.7
111.04498	5.9
119.05017	38.4
127.04029	2.9
134.03738	2.8
155.03493	8.2
163.04010	100.0
173.04541	26.3
188.51180	1.6
191.05629	60.3
193.05043	12.0
199.02451	2.8
337.09369	66.8
367.10455	8.2
694.30090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88407	0.5
58.03584	0.5
59.01392	1.0
67.01879	0.8
69.03446	0.6
71.01386	2.6
85.02956	1.2
87.00890	2.3
93.03445	17.9
94.03787	0.8
111.00836	0.6
111.04530	5.3
111.69207	0.6
119.05006	8.2
134.03809	0.9
137.02444	4.0
155.03526	4.4
163.03998	18.1
173.04550	100.0
179.59561	0.6
179.69794	0.6
191.05623	49.0
192.05956	3.1
193.05083	3.2
211.04071	0.6
337.09338	43.6
367.10342	17.6
367.14554	1.0
368.10721	5.2
521.32172	0.6
543.15247	1.0
614.13550	0.7
687.53778	0.8
705.19885	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17937	0.2
55.82765	0.2
57.87228	0.2
58.23087	0.2
59.01381	0.7
62.73161	0.3
67.01884	0.4
69.03442	0.3
71.01383	0.6
81.03449	0.4
83.05032	0.5
85.02938	3.4
87.00883	2.4
93.03453	6.1
96.99299	0.5
111.04501	2.5
115.00375	0.4
119.05018	1.8
123.04501	1.3
127.04019	2.3
134.03728	1.0
135.04526	0.7
137.02458	0.6
143.05009	0.5
149.06058	1.1
155.03508	2.0
159.04608	0.4
163.03990	3.4
164.53851	0.3
165.65950	0.3
173.04559	14.8
173.05963	0.7
179.03477	1.7
190.44211	0.3
191.05627	100.0
193.05069	3.0
199.02477	0.5
212.11378	0.3
222.28255	0.3
226.06418	0.6
241.08714	1.4
251.07158	0.6
254.09438	0.6
267.10257	0.4
280.07413	2.1
295.09702	5.0
313.10889	1.7
324.06577	0.3
337.09286	0.4
339.05170	0.5
339.08621	2.2
357.09821	19.8
481.91791	0.3
513.10455	0.5
531.15137	6.6
705.20502	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75683	0.3
52.89851	0.3
58.60059	0.4
59.01376	0.8
71.01385	0.6
74.23415	0.3
76.46572	0.4
85.02949	3.5
87.00858	1.0
93.03442	5.3
96.99329	0.5
111.04498	2.4
119.04979	2.3
123.04493	1.0
127.03999	2.3
129.01892	0.4
134.03725	1.9
137.02435	0.6
143.05009	1.7
149.06076	0.8
155.03491	2.6
163.04016	4.6
173.04567	14.6
173.06067	1.2
179.03468	0.6
191.05632	100.0
193.05075	3.6
241.08716	0.9
251.07208	0.8
254.09608	0.7
280.07370	2.7
295.09811	4.5
313.10855	2.6
328.40335	0.4
339.08887	2.1
357.05417	0.8
357.09866	22.4
531.15271	6.9
705.20483	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53907	0.7
59.01366	1.3
64.42996	0.7
68.40237	0.8
71.01368	2.0
76.72807	0.8
85.02943	3.6
87.00890	1.0
93.03444	14.6
111.00805	1.2
111.04510	4.6
116.92884	1.2
119.04990	7.1
137.02412	4.0
155.03490	4.6
159.04362	0.9
163.04034	18.0
173.04550	100.0
175.03925	1.0
191.05638	44.1
193.04997	1.7
200.38820	0.8
210.05956	0.8
225.66264	0.9
242.14613	0.9
337.09335	47.4
357.09998	1.6
367.10239	9.8
507.65247	0.9
561.77032	1.4
705.20502	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88407	0.5
58.03584	0.5
59.01392	1.0
67.01879	0.8
69.03446	0.6
71.01386	2.6
85.02956	1.2
87.00890	2.3
93.03445	17.9
94.03787	0.8
111.00836	0.6
111.04530	5.3
111.69207	0.6
119.05006	8.2
134.03809	0.9
137.02444	4.0
155.03526	4.4
163.03998	18.1
173.04550	100.0
179.59561	0.6
179.69794	0.6
191.05623	49.0
192.05956	3.1
193.05083	3.2
211.04071	0.6
337.09338	43.6
367.10342	17.6
367.14554	1.0
368.10721	5.2
521.32172	0.6
543.15247	1.0
614.13550	0.7
687.53778	0.8
705.19885	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97710	0.5
59.01376	6.0
71.01371	7.5
72.37521	0.6
73.02937	2.7
83.01413	1.0
85.02935	2.6
89.02431	5.7
101.02446	7.3
108.02149	9.6
109.02935	0.7
113.02448	5.3
119.03465	1.5
122.03728	47.5
123.04510	31.1
135.04501	1.1
136.36148	0.7
137.06093	1.0
145.02919	0.9
147.04399	0.7
147.15643	0.8
149.02443	1.2
151.03986	0.8
152.01146	18.9
159.38840	0.6
161.04538	4.6
162.03252	1.2
165.05563	4.0
167.03487	100.0
177.05484	2.8
179.05621	3.8
181.77072	0.6
197.04509	3.0
285.09741	1.0
307.40121	0.7
329.08817	67.2
357.11884	3.9
367.93262	0.7
607.04022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97826	0.6
71.01411	0.8
87.19590	0.5
88.54164	0.5
89.02439	0.8
100.49865	0.5
104.67215	0.6
112.65706	0.6
115.00361	0.6
115.04081	0.6
119.05016	49.8
127.03995	2.4
134.03729	2.1
149.06163	0.6
152.01196	0.7
155.03519	2.3
161.02470	1.2
163.04015	100.0
191.05652	8.2
193.05048	5.3
199.02597	1.1
217.03549	1.3
228.61967	0.6
325.09351	26.6
337.15292	0.7
367.10272	2.8
502.26541	0.6
605.52783	0.6
703.12097	0.7
705.20319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	43.2
59.03260	0.5
71.01008	1.1
71.01382	24.4
73.02939	0.6
83.01403	0.9
85.02944	4.0
87.00877	0.8
89.02441	45.9
95.01376	0.8
101.02443	24.5
113.02439	14.6
118.05103	0.8
119.03490	23.5
131.03503	0.8
143.03571	1.0
149.04547	0.7
161.04605	0.9
161.71750	0.6
179.05623	2.7
186.82957	0.6
191.05716	4.0
199.02563	0.7
202.48419	0.6
229.45219	0.7
234.81293	0.6
279.10883	100.0
425.16785	2.5
705.18127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75286	1.5
55.01855	1.9
57.03451	1.9
59.01382	40.4
65.03973	19.8
65.44872	1.5
69.03452	1.7
71.01372	27.6
71.05020	13.7
83.01416	2.4
85.02979	2.3
87.00883	2.9
89.02435	29.7
95.75877	2.3
97.02941	1.9
97.06596	30.9
100.89336	1.9
101.02439	26.9
104.01637	1.6
108.97541	2.1
113.02438	12.7
115.04050	2.2
119.03500	3.7
119.08627	4.6
119.42847	2.2
121.06582	53.7
125.02429	2.6
125.09734	35.8
127.03979	3.0
136.04054	3.6
161.04582	3.1
167.10835	4.3
185.11841	56.9
193.05194	2.7
209.11816	24.6
211.09749	3.2
211.13440	26.9
233.15405	2.1
235.08328	3.0
235.13429	54.3
253.09344	2.1
283.06085	3.6
289.18060	9.1
307.15652	3.8
307.19186	100.0
388.61041	1.9
397.13541	50.3
397.18304	2.7
413.48740	2.2
415.14627	40.8
633.27887	21.4
634.86523	2.2
645.34955	3.3
687.32593	12.3
705.33984	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
59.52888	0.4
71.01365	2.3
80.37182	0.6
85.02964	1.2
87.00845	0.7
89.02435	2.9
101.02415	2.9
101.58591	0.5
113.02409	1.0
143.68251	0.5
144.53723	0.6
147.04512	0.7
149.02408	3.5
152.01149	0.6
164.04781	17.2
167.70103	0.6
175.00301	2.4
179.07089	3.8
190.02733	35.3
191.03526	1.3
205.05067	100.0
208.03737	1.3
209.04558	1.3
223.03998	1.2
223.06116	25.5
223.08292	0.9
251.05701	0.8
265.07309	2.2
281.06757	0.7
289.18106	2.2
311.07712	2.7
413.10864	0.8
457.58856	0.7
684.43048	0.7
705.35010	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92731	0.6
53.77197	0.7
54.60290	0.7
57.16981	0.7
58.34562	0.7
59.01383	45.9
61.98826	1.9
67.67878	0.8
68.96111	0.7
86.79601	0.7
90.96354	0.8
94.37266	0.8
97.02950	3.3
136.43034	0.7
139.51021	0.7
152.99579	0.9
191.27579	0.8
203.18086	1.6
229.19476	0.9
257.22733	6.5
301.21759	100.0
350.87015	0.8
399.25375	4.7
455.56323	0.9
465.33633	1.4
521.13129	0.9
525.35864	0.9
705.42871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33940	1.0
57.97565	2.9
58.00583	1.2
59.01382	100.0
61.98822	1.7
63.67994	0.9
71.01369	8.1
73.02946	10.6
75.00902	1.1
83.03876	1.0
85.02902	1.2
89.02453	2.8
90.05194	1.4
91.54254	1.1
91.86603	1.3
95.95229	1.2
101.02457	5.1
105.69815	1.0
113.02442	5.5
119.03464	1.4
125.06013	1.5
125.66595	1.1
161.04546	2.6
171.22005	1.2
255.21153	1.4
263.23868	2.7
273.22232	12.9
277.21753	92.2
291.23325	49.1
301.21722	8.7
319.22809	49.7
331.22916	1.7
349.23911	8.5
379.24869	5.3
421.25900	2.9
439.27182	2.6
705.42633	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69611	2.9
61.11937	3.2
62.39477	2.9
78.95883	34.0
82.15347	3.4
132.99173	3.4
152.99582	100.0
190.96437	3.0
201.33612	3.7
255.23360	4.2
256.30502	3.3
273.24121	3.6
283.36917	3.4
409.23743	60.9
450.24417	3.8
592.33807	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26625	2.1
70.48061	2.3
78.95897	22.9
95.98694	2.5
96.36045	2.3
115.49300	2.5
151.74684	2.4
152.01862	3.0
152.98340	3.6
152.99582	100.0
153.00755	4.7
214.82146	3.0
409.23743	50.5
548.07684	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.162
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79404	1.4
72.99296	29.9
73.99642	2.1
74.14960	1.3
78.95900	95.9
79.75954	1.2
90.89687	1.3
96.96950	34.6
123.04501	3.5
134.04733	9.2
135.04497	8.3
150.97997	3.3
167.10161	1.6
179.03546	21.6
180.03838	12.2
181.05208	13.5
182.05397	8.2
183.05576	3.2
197.04561	70.9
198.04916	32.3
199.05048	13.9
200.05357	3.2
211.00153	3.2
343.10159	2.5
344.10690	5.7
345.11087	5.7
346.05615	100.0
359.09927	29.2
360.10211	36.7
361.10324	17.4
362.10687	11.8
609.11707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17337	0.7
72.16866	0.6
72.99300	1.0
78.95905	95.7
96.96955	35.7
106.05583	0.7
131.88428	0.7
134.04716	10.5
138.98071	1.4
150.98018	4.9
192.99144	3.1
197.04605	4.0
198.04993	1.4
211.00259	5.0
215.61977	0.7
325.54846	0.7
346.05615	100.0
359.09836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00918	0.3
62.40747	0.3
63.00558	0.4
72.99319	0.9
76.93121	0.4
78.95901	92.7
79.13863	0.4
80.53903	0.4
96.96953	32.2
134.04713	11.1
138.98029	2.0
150.98009	5.8
176.95923	0.5
180.03853	0.6
192.99089	2.4
197.04637	1.4
198.04941	0.6
202.25177	0.4
211.00194	4.9
346.05600	100.0
359.09793	0.5
579.48322	0.5
586.91614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45224	0.3
52.51384	0.3
59.55056	0.3
62.69418	0.4
63.74654	0.3
78.95904	95.3
85.57557	0.4
96.96957	30.9
106.32935	0.4
116.82805	0.4
129.50356	0.4
134.04723	8.3
138.98032	1.7
150.98027	5.4
173.58070	0.4
192.99086	2.1
197.04625	0.7
211.00186	5.0
249.51634	0.4
346.05615	100.0
402.71820	0.5
459.34875	0.4
487.88126	0.4
617.33936	0.5
642.13293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00964	0.6
57.00611	0.6
59.01386	0.7
71.01379	0.9
73.92191	0.6
77.89207	0.6
107.37580	0.7
134.03746	1.4
160.03998	1.5
161.50894	0.8
208.21393	0.7
235.13290	0.7
236.13811	1.2
250.05222	0.7
266.04568	0.8
280.06158	5.8
291.05423	0.9
294.04108	7.0
294.17218	0.6
296.09424	1.0
307.19180	2.7
308.05679	26.4
308.19406	3.1
309.06424	14.8
324.08807	100.0
368.07867	17.2
584.43103	0.6
662.18933	3.6
706.17883	20.9
706.30945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38663	1.2
53.29846	1.2
59.01377	2.4
59.59816	1.3
61.75960	1.5
61.98822	2.0
71.01370	2.6
75.75312	1.6
80.40583	1.4
84.81204	1.5
85.16981	1.5
135.08180	1.7
179.70543	1.7
181.42102	1.6
190.02693	2.2
308.02133	3.3
308.05685	100.0
323.08047	45.5
338.10373	98.0
349.34357	1.5
360.75339	1.4
367.10284	6.9
443.38245	1.9
470.75024	1.6
646.35522	8.5
706.20972	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
72.10355	0.5
72.99306	33.8
84.80717	0.5
123.04517	11.0
132.37943	0.6
135.04536	13.9
151.03999	0.8
165.01907	0.8
168.23701	0.7
179.03505	41.0
185.12033	0.7
197.04570	100.0
215.05673	1.3
395.09842	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.4
67.33227	0.7
68.29952	0.7
71.01391	5.4
71.05030	0.6
72.04544	0.8
73.02943	3.3
78.95907	6.4
83.05009	1.0
89.02437	4.2
92.19525	0.8
96.95995	1.6
97.02926	0.8
99.04495	1.1
101.02424	1.5
101.06067	6.8
108.08194	1.6
109.06590	4.6
113.02406	1.2
115.03996	11.4
119.03534	0.8
129.05556	0.8
145.05038	14.0
152.99609	1.4
185.08238	0.8
188.09276	9.1
255.23285	1.7
309.31683	20.8
337.31064	5.5
354.33777	1.8
355.32135	5.5
380.35492	3.4
410.36496	6.3
417.17911	0.9
469.81250	0.7
469.90268	0.9
482.42645	1.2
526.41046	9.2
593.71100	1.0
604.45776	0.9
688.46539	1.6
706.47662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05034	0.2
61.03411	0.2
77.17986	0.3
85.02958	0.4
87.00890	0.3
101.12380	0.3
112.69009	0.2
135.04520	0.4
144.04112	0.3
152.71991	0.3
161.02440	1.3
179.03503	0.5
191.05618	100.0
260.79538	0.3
325.98938	0.3
353.08823	34.7
354.08871	0.3
389.62997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51200	0.5
62.20911	0.6
91.59809	0.8
100.10317	0.6
111.04492	0.9
116.92901	0.6
135.04523	25.9
161.02425	4.8
166.55225	0.5
173.04550	3.0
177.27577	0.6
179.03500	68.9
191.05624	100.0
243.12305	0.6
243.57410	0.6
258.31390	0.6
312.97910	0.6
353.08820	81.3
391.09891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00305	0.4
59.01381	1.0
67.01901	0.8
71.01359	2.1
75.31763	0.5
76.70577	0.4
85.02951	1.1
93.03451	9.8
111.00936	0.5
111.04498	3.7
116.32251	0.5
127.03980	0.7
135.04526	33.5
135.97131	0.5
137.02446	5.0
155.03484	7.4
156.52390	0.5
161.02444	2.6
173.04547	94.8
179.03505	65.9
191.05624	45.8
191.07378	1.1
207.09918	0.5
264.67218	0.5
272.45905	0.4
308.27319	0.6
353.08832	100.0
421.84100	0.6
425.15775	0.6
707.18042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76486	0.4
57.06005	0.5
58.32326	0.5
59.01381	0.8
64.17969	0.5
67.01914	0.7
71.01364	0.8
71.48372	0.7
85.02956	0.7
93.03442	6.3
111.04517	4.8
118.47729	0.6
127.03989	0.6
135.04515	33.2
137.02432	5.0
145.25226	0.6
155.03520	6.5
161.02446	2.9
173.04550	93.3
179.03500	67.0
191.05632	41.5
214.21834	0.7
353.08820	100.0
362.80087	0.7
538.18256	0.7
590.08997	0.7
707.17908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56971	0.5
51.44960	0.5
56.35221	0.6
56.60213	0.6
59.01384	1.3
62.69496	0.6
65.60465	0.7
71.01369	0.8
83.22563	0.5
93.03471	8.6
105.07860	0.7
107.22408	0.6
111.04514	3.1
135.04530	35.1
137.02423	5.2
155.03516	5.3
161.02443	4.0
165.05563	4.2
170.44861	0.8
173.04549	92.7
179.03514	71.6
191.05635	49.7
242.37521	0.7
259.73544	0.7
353.08841	100.0
438.97229	0.7
705.46460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
67.01874	0.6
68.92217	0.3
71.01398	0.6
81.30557	0.3
83.05048	0.6
85.02953	0.9
93.03449	7.4
93.57040	0.4
109.02964	0.5
111.04520	3.9
113.02433	0.4
127.04047	0.4
135.04532	35.8
137.02463	4.9
155.03511	6.2
161.02412	2.7
173.04555	93.7
178.29182	0.3
179.03513	66.5
191.05630	49.2
210.28624	0.4
214.58824	0.3
217.03564	1.7
274.36099	0.4
353.08835	100.0
707.19019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63176	0.3
51.88563	0.3
53.23417	0.3
59.01392	0.5
60.70273	0.3
63.54416	0.3
72.99306	0.5
74.17938	0.3
76.77279	0.3
83.05029	0.6
85.02923	0.6
86.00200	0.4
93.03461	0.5
111.04498	1.3
115.03991	0.4
116.52779	0.4
119.04978	1.4
127.03989	4.0
135.04446	0.6
155.03525	2.8
161.02446	1.6
162.87459	0.4
163.03996	2.7
164.04292	0.5
172.58405	0.3
173.04573	1.4
179.03523	1.4
191.05624	100.0
199.02538	1.4
211.07538	0.7
217.03569	4.2
236.50047	0.4
325.09506	0.4
353.08807	26.4
707.20538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
57.54284	0.6
59.01380	1.1
66.62836	0.5
67.01896	0.5
71.01360	1.3
71.17141	0.5
73.65381	0.5
76.96147	0.5
85.02950	1.2
87.00867	1.1
91.15983	0.6
93.03446	10.2
111.04504	4.4
111.18526	0.5
112.71691	0.6
127.04005	2.5
135.04526	33.8
137.02461	5.9
155.03554	7.4
161.02496	2.7
163.04047	0.8
173.04559	100.0
179.03517	66.6
179.04716	1.4
191.05638	64.6
199.02617	0.8
202.83849	0.7
217.03535	2.3
242.05904	1.0
243.06584	2.7
323.05878	0.7
337.09186	1.2
353.08847	87.3
482.02859	0.7
707.18439	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29871	0.2
60.45641	0.2
62.71709	0.2
85.02921	0.6
93.03443	0.4
127.03923	0.3
135.04417	0.3
161.02403	2.1
173.04457	0.4
179.03416	0.4
181.21606	0.3
191.05629	100.0
273.00525	0.3
311.54028	0.3
353.08835	29.1
383.60986	0.3
435.75296	0.3
634.92267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18655	0.6
59.01380	8.4
60.01046	0.7
61.23500	0.7
63.08148	0.7
71.01374	9.3
75.00862	4.6
79.85500	0.8
85.02929	5.1
87.00860	4.0
89.02434	9.5
95.01346	1.2
99.00886	1.6
100.38121	0.9
101.02417	4.3
113.02447	22.7
114.43436	0.8
115.00335	1.3
119.03429	2.9
124.57368	0.8
135.04503	4.2
160.04012	5.0
161.02454	20.5
175.02396	1.3
179.03485	6.8
191.05632	12.3
207.05093	1.6
207.10185	1.0
249.06126	9.0
253.07216	2.1
267.07233	100.0
277.07272	1.6
279.10818	8.6
280.11240	1.8
429.10486	6.1
441.92679	1.0
467.20557	0.9
647.19135	1.5
707.20337	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96927	0.6
57.38113	0.7
59.28129	0.7
63.13908	0.7
71.01382	0.8
71.05021	1.8
72.07798	0.7
85.02955	7.1
89.02429	0.8
93.36547	0.7
97.02943	22.1
103.65697	0.7
113.02460	9.6
114.02740	1.3
114.93416	8.5
115.00354	1.7
115.04005	100.0
117.89913	0.8
118.11864	0.7
123.85674	0.7
175.35103	0.9
191.05559	1.3
257.08530	0.7
258.41455	0.9
268.03806	15.1
283.06152	83.3
591.17297	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
69.03451	0.3
80.00646	0.3
81.01807	0.2
85.02953	1.5
86.03740	0.2
91.25485	0.2
101.02446	0.3
113.02444	100.0
114.30328	0.2
114.69852	0.2
127.83434	0.3
135.77380	0.2
136.08537	0.2
165.01912	0.4
180.04280	0.5
190.02591	0.5
195.06659	1.5
205.05072	1.3
223.06104	0.5
265.07236	0.4
367.10342	0.6
593.18811	3.6
707.22595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38369	1.3
59.01381	19.9
61.98833	1.9
71.01382	11.5
73.02929	12.7
76.37932	1.5
81.32579	1.9
83.01397	2.2
85.02963	2.5
87.00858	2.2
87.06098	1.3
88.98779	10.5
89.02433	9.8
98.21680	1.4
98.34708	1.7
101.02442	11.5
113.02443	3.8
122.03722	3.3
149.02437	11.6
149.06010	2.2
150.03224	57.2
152.32964	1.6
161.04463	1.6
163.04091	6.7
164.04779	15.2
165.05565	90.0
165.06972	3.4
166.02643	3.5
170.73294	1.8
171.10281	2.5
177.05579	2.6
179.07091	1.9
180.04317	3.5
190.02704	33.8
195.06641	16.3
205.05058	92.4
207.03038	6.6
222.05324	2.1
223.06116	10.8
223.24612	1.8
244.56155	1.8
251.16425	3.1
283.06104	8.3
291.19608	9.2
309.20764	14.5
371.11526	3.1
397.13455	2.5
415.14609	7.0
511.18259	100.0
599.21063	3.1
638.57397	2.0
665.23669	2.1
682.55176	1.9
689.23926	3.2
707.25372	73.0
707.35291	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58184	0.6
59.01380	9.8
64.62322	0.4
67.63774	0.5
71.01383	3.8
73.65736	0.5
78.38646	0.7
82.54966	0.6
83.01418	0.8
84.60188	0.5
85.02978	1.0
87.01017	0.6
89.02440	2.3
96.95986	4.3
97.02943	0.8
99.00895	0.7
101.02458	4.1
106.21636	0.5
113.02436	1.4
115.04013	4.0
130.10005	0.6
136.01663	11.0
137.02472	0.6
151.03999	43.4
158.74947	0.6
159.02911	0.7
161.04608	4.0
166.02679	11.6
179.03490	0.7
181.05075	36.6
190.06429	0.7
285.07993	0.8
312.09973	0.6
326.11551	2.3
327.12320	1.3
357.09869	14.8
372.07419	1.0
372.12143	25.5
387.14523	100.0
516.97968	0.6
549.19922	1.4
647.36255	4.9
707.35022	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12899	3.0
59.01381	23.1
64.22783	2.9
66.01453	3.0
71.01367	12.5
72.74400	2.9
73.02947	3.6
76.70593	2.7
85.02941	4.2
87.41788	3.0
89.02415	6.6
89.84254	3.4
90.90113	2.8
93.27811	3.1
101.02418	12.7
113.02451	6.7
119.03437	3.0
136.30530	3.8
149.02419	4.5
150.03186	17.4
163.03972	3.5
164.04720	3.9
165.05519	24.8
171.10237	5.1
175.03934	3.7
183.10217	17.3
190.02690	12.4
205.05038	31.8
221.15504	4.7
223.06084	13.1
251.16647	3.6
283.06091	16.2
291.19717	6.5
309.07858	5.1
309.11252	5.7
309.20663	27.2
312.10117	4.1
320.06943	5.2
323.05612	3.6
335.05692	4.2
338.08044	16.3
350.07916	3.9
353.06601	7.4
353.10471	21.1
368.08768	7.4
383.11362	16.5
397.13416	14.4
415.14639	16.3
440.39352	3.8
451.16324	4.2
511.18100	27.7
540.93073	3.9
583.18091	33.4
599.17737	22.3
617.22656	31.2
629.22455	100.0
647.23700	42.9
707.25018	13.1
707.35870	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40539	0.9
59.01384	100.0
60.16360	1.0
71.01378	25.2
73.02940	29.5
79.96540	1.0
81.64753	1.0
83.01388	4.9
85.02956	8.4
87.00891	1.2
89.02444	15.3
94.17618	1.4
95.01349	1.8
96.95998	4.9
97.03004	1.1
101.02445	25.4
107.14400	1.2
113.02448	24.3
119.03466	4.9
125.02412	1.1
126.49409	1.0
127.04066	1.2
131.03609	1.6
143.03549	1.4
149.04591	1.6
155.03500	1.1
161.04547	4.9
179.05589	1.4
191.05580	1.3
408.55676	1.1
470.15854	1.1
499.25836	8.9
517.26563	12.1
535.27594	2.1
542.11200	1.5
556.41058	1.3
559.27698	48.6
559.35443	1.7
577.28735	28.6
619.29865	26.0
707.27600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98040	0.8
59.01104	1.6
59.01382	29.2
62.27061	0.9
71.01377	15.2
80.37565	0.7
81.21703	0.8
85.02936	1.3
89.02438	29.6
93.03439	1.6
101.02442	19.0
111.04483	1.5
113.02454	9.3
119.03484	14.9
127.04005	3.2
127.98883	0.9
135.04544	0.9
141.09242	4.6
143.03564	0.9
152.05061	0.8
155.03554	1.0
173.04564	4.8
179.03407	1.2
191.05644	12.1
211.07755	1.0
214.94313	0.8
217.03575	3.5
242.05971	1.0
271.09796	5.0
321.15585	100.0
533.13379	1.4
707.18243	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37523	1.8
54.97726	1.5
59.01385	42.7
63.98315	1.7
70.33741	1.6
71.01381	28.6
73.02953	9.4
74.87280	1.4
83.01385	2.3
83.04527	1.8
85.02944	9.8
87.00884	3.2
87.90898	2.0
89.02444	32.2
89.10924	1.7
91.35569	1.8
101.02437	30.5
101.06143	1.9
104.28477	1.8
107.55989	1.6
111.08185	3.1
113.02441	17.1
115.64141	1.8
119.03521	7.1
119.08663	3.5
125.02431	4.0
137.09737	18.2
143.03464	3.2
159.02979	2.4
161.04549	8.3
171.10280	49.3
179.05614	3.0
191.05652	2.5
195.10506	2.1
195.13895	2.1
197.11867	19.0
199.24232	1.9
201.11377	3.0
207.13898	2.1
209.15469	4.3
211.13475	3.5
221.06583	2.7
225.14996	31.8
235.08315	2.2
251.16666	2.5
263.11407	3.2
268.03729	2.5
283.06082	8.6
285.06430	1.9
291.19855	14.1
309.20758	100.0
331.10477	10.9
383.17096	7.7
397.13580	44.0
407.11765	1.9
415.14642	51.2
569.24811	8.3
647.29449	12.6
654.28046	3.0
689.34235	2.5
707.35327	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90450	2.3
57.43300	2.3
59.01376	38.7
67.72241	2.5
71.01382	18.8
73.02943	4.2
89.02430	35.1
101.02440	31.6
112.38345	2.5
113.02440	13.8
119.03506	3.6
125.02460	10.3
152.98274	2.6
161.04572	3.8
162.67853	2.7
198.39151	3.0
223.39885	3.5
235.08119	3.7
249.09482	3.0
249.16277	4.6
249.18648	80.6
253.09286	4.8
288.54718	2.8
343.34143	3.3
382.80023	2.6
397.13574	100.0
415.14728	23.9
513.72083	3.2
564.43176	3.4
638.21094	3.9
647.32861	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
59.01382	39.9
67.46102	3.2
71.01381	24.5
79.63487	3.2
81.21203	3.2
89.02433	24.6
93.43089	3.5
99.36179	3.5
101.02437	19.8
101.65686	3.2
111.08170	3.3
113.02464	5.8
119.03445	4.5
121.10235	7.0
125.02433	4.8
179.05594	4.0
185.11809	6.7
197.11844	12.9
235.08197	3.5
247.20758	3.6
291.19705	100.0
354.03818	4.0
397.13647	35.7
415.14691	32.0
476.90982	3.7
671.89539	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22136	1.3
59.01383	43.6
71.01388	23.6
73.02948	3.0
83.01375	2.4
85.02950	2.8
87.00885	5.8
89.02441	34.3
97.02934	3.2
101.02443	34.8
113.02461	14.0
119.03502	6.0
125.02411	7.6
131.03409	1.8
131.49016	1.6
133.04988	2.0
140.68155	1.5
143.03537	3.8
161.04553	8.5
179.05653	2.5
235.08282	7.8
249.18631	90.9
253.09396	5.5
305.08679	2.2
327.09161	1.4
397.13574	100.0
415.14569	30.3
422.07013	1.6
430.51328	1.6
647.22821	2.8
647.33026	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15608	4.5
54.41570	3.9
58.58427	3.9
59.01383	58.0
71.01379	20.0
71.05021	10.2
89.02428	26.0
97.06546	7.2
101.02430	30.5
110.28569	4.7
112.47707	4.3
113.02402	5.6
123.80740	5.0
125.02430	5.5
146.15762	5.2
152.00388	4.7
208.92079	5.2
254.56235	6.6
263.07553	5.8
291.19647	100.0
309.20654	19.3
397.13538	76.4
415.14578	44.5
415.33820	6.1
707.34888	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64236	1.1
57.88716	1.0
59.01379	31.2
61.50316	1.1
62.64566	1.1
71.01376	20.5
71.05005	11.6
73.02962	2.4
83.05057	2.0
85.02965	2.6
87.00870	5.5
89.02444	27.4
97.02976	1.7
97.06540	2.6
99.00896	1.4
101.02449	20.3
103.31347	1.2
108.94598	1.3
109.47434	1.2
113.02455	13.4
114.84017	1.4
119.03468	2.9
121.10214	2.4
121.97652	1.4
125.02412	2.7
125.09721	7.8
125.35642	1.5
137.09753	15.5
141.12819	1.3
143.03455	2.0
161.04532	5.7
171.10258	33.1
178.30563	1.3
183.10265	3.2
185.11873	14.4
217.16193	1.7
219.14034	2.3
235.08189	2.9
235.13370	1.7
235.17247	1.6
237.14919	2.2
251.16553	27.8
267.41302	1.4
283.06219	2.1
291.19708	53.6
307.19431	1.7
309.20755	100.0
325.38751	1.5
397.13605	33.4
415.09290	2.6
415.14636	41.4
443.85791	1.8
501.26920	1.8
647.36786	1.7
689.33875	2.1
707.23926	2.2
707.35199	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	35.7
64.13389	2.0
67.46275	2.1
71.01382	22.1
73.02945	3.5
85.02953	5.3
85.59316	2.1
87.00854	17.2
89.02444	24.3
93.03439	2.3
97.02940	3.0
101.02419	30.8
102.26418	2.1
113.02451	26.6
119.03503	5.6
125.02422	13.0
130.56387	2.6
161.04532	2.9
191.05614	3.6
235.08247	12.3
249.18602	87.2
253.09320	3.5
271.16718	2.3
326.10800	2.7
397.13559	100.0
415.14569	38.8
439.53250	2.9
466.57520	2.6
473.06226	2.9
488.65155	2.9
647.32794	31.6
649.82751	3.1
707.33093	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26206	0.6
50.78729	0.7
55.60357	0.7
57.03454	1.1
59.01385	26.4
71.01378	11.3
71.05018	10.9
72.99313	7.2
73.02946	2.2
74.75577	0.8
74.82655	0.8
83.01361	1.5
85.02999	1.4
87.00878	2.1
89.02438	17.3
97.02924	1.1
97.06599	3.5
101.02437	16.4
107.05092	1.3
113.02451	5.6
119.03514	4.4
121.02942	0.9
121.10241	1.9
125.02423	2.2
125.09695	3.6
129.32826	0.8
137.09709	18.8
143.03445	1.8
146.08241	0.8
171.10269	45.2
171.11734	1.8
179.05602	1.9
181.12253	1.3
185.11819	11.4
191.05626	1.0
197.11874	1.1
209.11852	1.0
219.13919	1.7
221.06737	1.3
233.15302	0.9
235.08200	1.4
235.17073	1.8
237.15036	3.2
242.15373	0.9
242.42430	0.8
251.16531	21.9
290.47641	1.2
291.19699	52.6
309.20755	100.0
397.13602	17.8
415.14648	41.6
707.35101	40.8
736.14148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87025	0.9
53.16187	1.3
59.01380	20.8
64.69111	1.4
71.01376	14.2
71.05011	8.0
72.99306	1.4
73.02958	1.4
74.82368	1.1
83.69979	1.3
85.02958	1.9
87.00855	1.7
89.02426	18.6
97.02921	1.5
97.06621	1.4
101.02415	13.5
113.02429	7.6
114.93446	1.5
119.03455	4.8
125.02410	2.6
127.03996	1.8
134.03738	2.3
137.09708	17.3
137.96599	1.4
143.03494	1.6
157.08727	2.2
161.04611	1.7
171.08870	2.3
171.10283	37.2
179.05551	1.4
183.10286	2.1
185.11819	8.3
193.05122	2.5
193.14023	1.3
219.13947	2.3
235.08289	2.1
235.17043	1.8
237.15137	2.2
247.20610	1.5
251.16525	17.4
253.09222	1.6
283.06094	2.9
291.19690	49.7
305.09048	1.5
309.20743	100.0
373.14059	1.4
397.13528	19.0
415.09476	1.9
415.14651	40.6
531.73322	1.3
567.98383	1.4
583.72284	1.8
689.33826	2.1
707.35071	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
57.08508	3.2
59.01379	32.1
62.18081	3.0
71.01383	18.5
75.30176	3.6
82.75419	3.9
89.02433	22.5
101.02437	19.9
113.02442	7.2
119.03439	4.8
121.40147	3.3
152.99484	4.5
158.24779	3.9
171.10277	6.5
197.11945	6.6
209.15482	39.4
211.13406	3.9
223.17093	7.5
225.14977	4.8
233.15466	4.5
251.16475	20.3
273.18634	4.4
291.19760	18.6
309.20749	100.0
349.49179	3.8
397.13446	30.2
415.14645	57.5
511.14273	4.5
707.35156	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20325	0.7
59.01383	36.7
59.72836	0.6
78.95905	4.4
88.76747	0.6
92.55055	0.6
93.65610	0.6
95.73058	0.7
96.96007	1.2
97.02937	2.5
112.64095	0.7
113.51695	0.6
131.05882	0.7
132.85912	0.7
141.99538	0.7
152.99596	2.6
195.29359	0.6
196.89499	3.0
255.23383	0.7
259.24329	3.7
277.21631	0.9
303.23322	100.0
401.26926	2.8
472.57211	0.7
638.82819	0.7
707.43665	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11726	0.5
61.61204	0.5
62.38532	0.6
71.19313	0.5
72.99306	34.1
117.71976	0.6
123.04516	12.4
130.60420	0.6
135.04517	14.0
179.03506	39.0
179.30290	0.7
194.02734	0.9
197.04564	100.0
212.04683	0.6
215.05595	0.7
236.50726	0.6
271.68430	0.6
297.10022	0.7
312.16019	0.7
352.25980	0.6
361.89465	0.6
395.09964	3.6
407.69461	0.6
436.31628	0.6
438.77939	0.6
453.08423	0.7
492.36884	0.7
510.21442	12.0
532.16394	0.6
603.45276	0.7
708.28149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
80.48247	0.6
87.00882	2.2
89.56322	0.5
93.03454	7.7
95.69508	0.5
111.04512	4.2
117.03461	3.8
131.68277	0.6
134.03741	41.5
143.71422	0.6
149.06087	8.4
152.01276	0.6
155.03497	4.8
173.04544	8.9
191.05624	38.0
193.05070	100.0
212.75209	0.6
224.00070	0.6
227.95099	0.6
267.06659	0.9
310.07632	0.9
310.10864	12.5
317.27570	0.6
325.13226	35.1
340.15588	28.1
367.10367	63.3
387.38815	0.6
416.95172	0.6
540.64722	0.6
580.37976	0.6
623.52686	0.7
699.49316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36402	0.8
51.52618	0.7
59.08835	0.7
61.14056	0.8
61.96063	0.8
72.99297	1.1
80.80865	0.9
80.93447	0.9
83.05023	1.0
92.23167	0.8
93.03461	1.2
111.04517	3.2
115.04002	1.6
117.03421	1.7
122.23254	0.9
127.03970	5.5
134.02713	1.9
134.03732	43.9
139.53259	1.1
149.06065	8.2
155.03511	8.8
158.27466	1.0
173.04559	5.8
191.05621	46.7
192.05945	13.7
193.05060	100.0
199.02440	1.5
217.03574	5.9
218.03900	1.1
310.10861	4.2
325.13174	13.9
340.15637	8.3
353.08841	9.4
354.08960	6.8
367.10349	56.8
502.20056	0.9
708.18793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97990	0.9
59.01376	1.6
61.98830	100.0
62.41643	0.9
65.38255	0.8
72.59285	1.0
92.51120	1.0
112.78771	0.9
122.30320	1.0
131.65224	1.0
138.08981	1.1
312.71408	1.1
316.65063	1.1
451.05243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
73.02946	5.1
75.92923	0.2
90.86456	0.3
92.23088	0.5
99.00871	1.4
99.86303	0.3
99.92587	4.0
114.93325	0.4
115.04013	1.6
116.92855	100.0
117.01936	17.5
118.01447	0.3
240.07750	0.3
268.04077	0.4
283.06134	3.2
284.06625	0.3
285.06345	0.3
375.02902	0.3
378.82446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46321	1.1
59.01379	3.3
67.01886	1.5
70.12798	1.2
71.01366	3.4
85.02936	9.0
89.02461	2.2
89.70846	1.3
90.91014	1.3
93.03442	13.4
101.02435	1.3
111.00877	1.9
111.04504	3.0
113.02467	1.6
115.00312	1.4
134.03720	1.8
135.04529	40.6
135.65433	1.3
137.02449	20.6
155.03523	6.4
161.02417	6.4
173.04556	97.7
177.05513	1.4
179.03502	77.5
191.05640	100.0
192.05814	2.0
193.05035	6.2
221.04584	3.3
242.05884	21.5
247.02719	1.4
257.05508	2.6
257.08231	79.7
269.08212	8.3
270.08960	2.4
271.09531	1.6
285.11295	22.3
299.07675	1.6
311.09225	6.0
353.08856	35.1
355.08322	3.3
367.10617	4.8
373.09479	2.3
535.14514	7.2
547.13806	3.5
589.15753	1.9
619.16650	5.7
649.18054	21.6
691.18250	2.0
709.19855	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75631	0.5
88.54904	0.7
111.04490	1.3
112.67102	0.5
117.03468	3.0
118.99712	0.6
134.03738	37.5
141.03491	0.6
149.06070	7.5
155.03485	3.7
173.04570	4.2
179.03510	1.3
186.59729	0.6
191.05656	4.2
193.05069	100.0
316.82526	0.7
320.67734	0.8
367.10370	51.1
379.04257	0.7
398.20282	0.8
453.96252	0.7
612.57959	0.6
701.54968	0.8
709.19568	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
67.01848	0.7
72.99295	11.6
85.02925	1.1
87.00859	1.0
93.03452	13.9
105.18700	0.5
110.21980	0.5
111.04495	3.6
123.04503	2.7
134.03717	2.1
135.04515	5.0
151.04018	0.7
155.03505	0.8
171.74399	0.5
173.04549	8.6
175.03975	2.3
179.03510	15.8
191.05623	100.0
193.05055	7.7
197.04559	25.5
259.57410	0.8
268.21451	0.6
323.07401	0.9
341.08679	1.1
359.09781	3.8
367.10327	13.1
441.32303	0.8
533.14966	4.8
709.19922	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1988
Annotation	Biochanin A 7-O-[beta-D-apiofuranosyl-(1->5)-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
52.49903	0.4
59.30727	0.5
59.37600	0.4
63.81892	0.4
72.99288	4.7
75.00864	100.0
104.44916	0.4
116.92813	0.6
137.44972	0.4
140.89818	0.5
152.13960	0.5
168.07924	0.5
268.03818	4.9
283.06140	28.6
481.64258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27623	0.9
59.01381	4.3
60.79939	0.9
63.45947	0.9
68.98116	0.8
71.01372	1.4
72.02408	0.9
72.99310	2.5
74.83039	0.9
75.00868	100.0
76.01740	0.8
79.16914	1.1
101.02454	2.0
107.07396	1.0
116.92906	1.1
157.53673	1.1
205.17953	1.3
207.49806	1.2
267.19559	10.1
267.31613	1.2
268.03784	4.0
271.73923	1.1
275.16510	1.2
283.06158	35.4
288.89001	1.1
293.17615	8.5
299.29617	1.1
309.08279	1.0
317.01776	1.3
418.03659	1.1
633.18341	1.7
653.46967	1.1
709.32831	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42991	1.1
61.98825	2.7
70.78480	1.2
72.99297	3.3
75.00864	100.0
75.01296	3.5
94.77798	1.5
101.93945	1.5
105.24841	1.3
116.92852	6.3
126.25382	1.9
268.03815	1.9
283.06046	25.9
458.67719	1.6
651.29718	1.8
702.25409	1.9
709.31848	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64646	3.8
58.79061	3.9
65.26877	3.5
76.80695	4.4
78.95901	100.0
79.13968	4.1
94.95356	3.7
98.00944	3.9
110.83325	4.9
112.57725	4.5
124.18967	4.4
152.99577	18.3
171.10240	7.6
171.93883	5.3
189.75713	4.5
211.13414	9.0
242.51697	4.7
243.12309	10.4
293.21213	5.6
311.22232	6.5
329.23331	19.9
393.83130	5.1
709.35730	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	2.6
59.01382	44.9
69.59112	1.4
71.01376	17.8
72.99309	2.0
76.08784	1.5
81.28251	1.3
85.02942	3.6
89.02433	31.7
92.22520	1.8
95.45042	1.4
97.02924	10.3
101.02422	18.1
108.38097	1.4
113.02418	6.6
115.03994	77.2
116.92834	6.0
117.95024	1.5
119.03467	18.6
123.04495	7.1
130.93002	1.4
133.01413	1.4
148.04066	1.5
151.03929	2.9
153.05573	44.1
197.04558	13.5
218.78578	1.6
295.10330	12.2
315.10950	14.0
359.09778	7.6
393.14038	100.0
528.87451	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76327	0.3
65.11858	0.3
65.31107	0.4
65.53407	0.3
70.16209	0.3
71.01378	1.7
73.02942	0.5
85.02945	0.6
87.60063	0.3
93.03445	18.4
94.29374	0.3
101.02424	0.7
113.02444	0.8
124.72127	0.3
137.02440	100.0
169.95682	0.4
173.04494	0.5
191.05594	8.3
299.07736	31.9
709.20380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07741	0.4
50.36371	0.5
50.72621	0.4
52.96349	0.4
59.01381	14.4
62.88846	0.4
63.63018	0.5
63.79099	0.4
70.12452	0.5
71.01371	8.7
71.15661	0.4
74.68642	0.4
85.02929	2.1
89.02446	9.1
89.70383	0.6
90.60704	0.5
93.03429	0.5
101.02455	6.5
113.02414	4.7
119.03504	3.0
130.21107	0.5
135.04567	0.9
147.04518	0.7
149.02455	3.7
149.06079	1.0
152.01172	0.8
161.04578	0.6
162.03185	0.6
163.04002	5.0
164.04787	18.2
166.02702	3.4
175.00240	1.0
177.02025	0.6
177.05470	1.7
178.06381	1.1
179.07190	6.5
181.05086	0.5
183.06628	2.5
190.02727	29.3
205.05070	65.6
207.02998	3.3
208.03728	4.8
209.04649	0.6
222.05368	2.3
223.06116	14.5
267.19955	0.7
321.09869	0.6
371.55066	0.6
463.16174	8.1
469.17184	100.0
709.34271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82815	0.5
59.01389	13.1
62.12431	0.6
63.98233	0.6
71.01384	6.7
73.02940	1.0
85.02934	1.7
86.72794	0.7
88.01720	0.6
89.02435	6.0
95.01380	0.8
96.96037	0.8
101.02438	6.5
113.02425	4.0
116.92874	1.5
119.03509	1.5
135.04478	1.0
136.01758	0.6
149.02464	5.1
163.04001	4.3
164.04797	19.1
166.02686	3.2
175.00369	1.1
177.05557	1.5
178.06371	3.6
179.07178	6.8
183.06734	0.9
190.02742	33.1
191.05473	0.7
205.05074	79.4
207.02985	2.8
209.04472	0.9
222.05363	2.7
223.06125	11.3
230.03201	0.7
306.04642	0.7
336.08896	1.0
463.16223	9.9
469.17194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.3
62.81483	0.5
71.01376	5.9
78.92175	0.6
85.02925	0.9
89.02435	6.8
101.02418	7.5
105.44688	0.8
113.02435	3.2
114.43862	0.7
116.56806	0.6
119.03492	2.4
134.03841	0.6
135.04529	0.7
149.02440	3.4
154.64873	0.6
161.04515	0.6
163.04005	4.0
164.04793	16.9
166.02713	3.5
175.00458	0.8
177.05518	0.9
178.06343	2.8
179.05785	0.7
179.07100	5.9
181.05081	0.8
183.06644	1.3
190.02733	27.0
205.05070	64.2
207.02995	2.6
208.03790	3.3
209.04626	0.7
222.05309	2.4
223.06137	11.2
249.46471	0.6
277.79977	0.7
282.28137	0.6
419.17053	0.8
447.75226	0.6
463.02112	0.6
463.16211	10.7
469.17184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05124	1.0
57.33696	0.9
59.01383	60.2
60.15488	1.0
62.77166	1.0
64.94120	0.9
71.01392	1.1
73.02960	1.2
76.92698	1.1
78.32360	0.8
78.68430	1.1
84.15623	0.9
86.63223	0.9
87.22311	1.0
101.02435	1.8
113.02482	1.3
133.53951	1.0
134.03758	7.9
136.85532	1.1
145.08691	1.4
147.50845	1.1
149.06033	2.1
160.01663	14.7
165.05470	1.5
175.04004	85.5
193.05046	15.5
197.32056	1.1
205.05113	1.9
223.06204	1.4
234.71381	1.1
274.47067	1.0
333.91290	1.1
340.12097	2.0
341.12265	2.1
362.33813	1.1
367.91959	1.1
439.16144	100.0
454.34653	1.1
511.84448	1.3
571.96375	1.3
709.23193	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64393	0.3
53.47053	0.4
59.01107	0.7
59.01382	18.0
61.70727	0.5
71.01376	9.2
73.02969	0.4
75.00845	0.7
85.02941	2.0
89.02438	10.8
91.05514	0.5
95.01333	0.5
101.02443	8.2
107.05044	0.7
113.02452	5.0
116.92858	7.5
119.03484	3.1
122.06496	0.5
134.03709	2.7
134.64273	0.4
135.04492	2.9
149.02434	2.3
149.53052	0.4
152.01100	0.5
153.01883	0.5
163.04005	12.4
164.04781	6.4
166.02753	3.1
171.86639	0.5
177.01884	0.6
177.05670	0.8
178.06314	2.1
179.07120	0.7
181.05103	0.8
183.06618	2.5
190.02711	6.4
191.03453	0.7
192.04324	0.5
205.05074	17.6
207.02992	10.3
208.03862	0.7
215.07097	0.7
222.05315	3.4
223.06174	5.0
230.09506	1.0
245.11800	0.6
274.08530	5.1
275.09445	0.6
289.10846	6.5
293.10312	2.7
321.09930	3.1
335.11340	0.7
420.02811	0.5
439.12604	2.6
454.14868	1.9
463.16028	0.8
469.17188	100.0
709.28058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89976	0.4
56.47771	0.5
59.01385	18.1
59.01683	0.7
61.81491	0.5
62.90070	0.5
71.01377	8.0
74.60104	0.6
84.58095	0.7
85.02950	1.3
89.02442	10.5
99.33408	0.6
101.02444	7.5
107.05072	0.6
113.02438	3.9
119.03493	3.3
126.94318	0.5
134.03761	2.4
135.04546	4.0
139.90944	0.6
149.02472	0.9
152.64259	0.6
163.04022	12.1
164.04793	3.8
166.02739	2.4
169.05092	0.6
173.04494	0.9
177.05605	2.3
178.06364	1.3
179.07127	1.1
181.04996	0.7
183.06621	1.4
190.02684	5.1
193.05162	0.7
205.05055	13.6
207.02994	8.7
208.03888	0.7
217.08716	0.6
222.05359	2.8
223.06058	1.1
230.09512	0.8
274.08490	3.8
289.10757	4.8
293.10315	3.0
321.09674	2.6
334.57883	0.6
335.11429	0.7
439.12494	2.8
454.14850	0.9
469.17212	100.0
714.43518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.3
61.98811	0.7
63.69440	0.5
67.85859	0.6
71.01408	0.9
71.24381	0.6
80.69580	0.5
82.40878	0.7
88.98810	0.7
89.02437	3.6
93.31901	0.7
101.02454	1.6
113.02441	1.4
130.87550	0.7
131.00482	0.7
134.03725	8.0
139.11276	2.7
139.58069	0.7
149.06079	4.5
160.01640	13.7
175.03998	85.8
178.02722	0.8
190.02744	0.9
193.05122	13.4
197.93036	0.8
205.05098	5.0
213.11319	14.3
223.06183	1.5
265.06970	1.0
304.42056	0.9
386.49966	0.8
439.16122	100.0
538.68646	0.9
619.27490	1.3
673.88220	0.9
709.30762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22317	1.0
54.69104	0.9
55.97032	0.9
59.01105	1.8
59.01383	35.3
71.01379	71.5
73.02948	6.4
83.01373	1.2
85.02960	11.1
87.00873	4.4
89.02441	26.8
92.22653	1.3
93.03463	4.8
94.12391	1.1
95.01370	1.4
97.02940	10.8
99.00888	2.3
100.04458	1.0
101.02441	22.2
111.04493	1.9
113.02425	23.2
115.04004	38.6
119.03490	10.8
123.44141	1.1
129.01875	1.2
141.28113	1.2
147.99338	1.5
161.04562	2.6
163.04024	4.3
173.04596	5.3
179.05644	5.1
191.05666	23.8
211.07709	1.5
223.06007	1.5
257.08191	2.4
259.08252	100.0
277.09314	7.8
321.09744	1.9
358.20676	1.3
367.10422	10.7
389.21954	15.7
649.30951	30.1
673.95789	1.3
709.20721	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85638	2.2
61.98842	3.0
86.61440	2.8
97.30096	3.0
137.02480	3.2
189.03313	3.4
263.11340	19.4
329.23410	6.6
442.26773	2.9
709.35828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24858	2.3
57.54585	2.7
58.17747	2.8
59.01387	23.9
59.21912	2.4
65.61987	2.8
66.62944	2.6
71.01402	7.3
71.34120	2.7
74.35576	2.7
74.38580	2.7
78.95889	6.4
89.02438	15.1
101.02447	12.9
113.02418	5.2
152.99561	3.7
161.04689	3.5
171.10268	21.7
173.72861	3.0
199.13483	4.3
211.13416	24.0
224.56129	3.4
275.20093	3.4
293.21335	25.3
311.22345	100.0
397.13455	26.2
415.14618	38.9
709.36951	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.6
64.64066	2.3
71.01369	17.2
73.02925	2.5
85.02952	3.1
87.00860	3.9
89.02435	24.1
97.02932	3.3
101.02433	25.7
104.89095	2.3
113.02427	9.6
119.03503	3.8
125.02419	3.7
138.09601	2.2
138.60620	2.3
150.28850	2.6
151.39255	2.3
161.04442	3.0
177.51286	2.4
179.05553	3.0
210.63751	2.2
235.08228	4.3
251.20166	100.0
397.13528	83.3
415.14664	18.1
649.34381	40.3
709.32220	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85061	0.3
59.01381	29.4
71.01379	15.5
71.01778	0.4
73.02921	0.3
75.86396	0.3
79.95931	0.3
82.28340	0.3
83.01392	0.4
85.02932	1.3
89.02436	28.9
95.01393	0.7
99.00895	0.3
101.02439	18.4
101.03089	0.7
113.02440	12.0
119.03490	14.9
124.49028	0.3
131.03494	0.7
141.09235	4.9
143.03528	0.4
149.04500	0.5
159.10278	2.0
161.04622	1.0
173.04547	1.4
179.05638	0.5
191.05693	2.5
192.06020	0.3
215.72511	0.3
257.08249	0.5
285.11423	0.7
310.42429	0.3
321.15582	100.0
331.12027	0.4
562.58563	0.4
641.07135	0.4
709.19019	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01629	1.5
50.80093	1.3
59.01384	33.0
62.84401	1.6
65.17047	1.7
71.01381	17.0
73.02943	3.6
78.95906	1.9
81.03479	2.0
82.80114	1.7
82.80695	1.6
83.01363	2.7
85.02953	4.1
87.00892	2.7
89.02434	27.5
97.02916	2.5
101.02442	26.2
113.02447	14.5
119.03483	7.7
125.02418	7.8
143.03523	2.4
153.90384	1.7
161.04543	4.0
197.45551	2.1
214.37701	1.7
218.17105	1.8
235.08272	2.9
251.20160	100.0
253.09290	4.2
397.13544	72.5
415.14691	23.2
649.34338	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20204	1.8
52.51650	1.7
54.59718	1.7
54.69068	1.7
57.03445	2.0
59.01391	20.5
59.24807	1.8
60.50731	1.9
63.78202	2.1
66.40775	2.3
71.01379	13.1
89.02424	15.4
94.12624	1.9
96.59156	2.0
101.02427	10.0
113.02439	4.3
116.92883	2.5
118.33975	2.2
125.02413	2.4
125.09750	2.4
128.63106	2.0
139.11298	11.0
171.10263	62.0
183.10228	3.3
185.11858	11.7
194.12436	2.2
201.11325	10.9
223.52695	2.2
275.20279	2.6
293.21213	20.2
311.22299	100.0
397.13425	14.1
415.14459	33.4
448.35938	2.7
709.36499	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15455	0.7
59.01104	1.1
59.01384	26.3
59.49961	0.7
64.59555	0.7
66.73787	0.6
70.82787	0.7
71.01378	15.3
71.91727	0.8
73.02934	1.7
83.01393	1.4
85.02923	2.9
87.00880	2.8
87.03470	0.8
89.02440	14.6
97.02934	1.2
99.00874	1.0
101.02444	10.4
113.02484	7.3
119.03484	3.3
125.02433	5.4
125.09738	1.7
137.09692	4.1
139.07666	1.3
141.12845	0.9
143.03571	1.3
148.93607	0.9
153.12862	1.3
161.04582	1.5
161.29710	0.8
179.05644	1.8
180.78030	0.8
182.18602	0.8
185.11850	7.1
197.11798	1.1
218.59293	0.7
226.14119	0.8
235.08247	4.2
244.62924	0.9
249.22287	3.1
293.21265	100.0
305.09003	1.0
311.22461	0.9
376.34366	0.9
397.13531	30.7
415.14600	21.1
707.26422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	41.3
59.61073	3.4
61.72270	3.0
62.12663	3.1
64.49287	3.1
69.85284	3.3
70.13202	3.3
71.01373	23.6
83.25468	3.6
89.02435	20.0
89.30585	3.4
101.02434	17.8
113.02464	6.8
113.09717	24.2
119.03514	6.2
166.47437	3.7
195.13992	7.6
235.08165	5.5
243.80539	3.7
293.21243	100.0
311.22314	3.7
322.47360	3.5
397.13501	37.1
415.14636	26.9
721.52454	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83693	0.7
56.30779	0.7
56.69610	0.8
59.01381	12.3
61.98834	0.9
64.62564	0.7
71.01381	6.9
73.02943	1.1
83.01404	1.3
85.02953	1.6
87.00871	1.9
89.02441	10.1
101.02436	8.6
113.02438	5.1
116.92851	1.6
119.03493	2.0
125.02409	1.9
127.11226	1.1
154.91129	0.9
155.10811	10.0
161.04512	1.0
171.10283	1.7
181.12347	18.1
183.10272	8.2
183.13882	4.0
195.13878	1.2
199.13516	3.2
201.11348	5.9
213.50011	1.1
235.08209	1.1
241.14452	1.8
251.16547	2.0
253.74146	0.9
275.20160	0.9
293.21219	7.4
311.22314	100.0
313.09708	0.9
354.15384	0.9
370.05005	1.0
371.76617	0.9
397.13458	9.2
415.14642	20.2
469.89877	0.9
489.27371	0.9
649.30011	1.6
709.36743	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84215	1.6
56.73495	1.6
59.47809	2.1
62.49873	1.6
65.87706	1.6
72.05939	1.6
74.55804	1.9
76.22316	2.1
78.95894	2.7
112.21841	2.2
158.83516	1.9
166.78723	2.2
215.35985	2.1
251.20155	36.6
277.17987	4.5
279.23404	2.9
292.65259	2.1
295.19183	100.0
385.41351	2.2
456.00421	2.1
708.89795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18878	1.4
59.01382	31.8
71.01382	23.0
73.02952	2.9
73.11301	1.1
78.95930	1.7
83.01392	1.9
85.02945	2.6
87.00859	3.2
89.02433	27.0
95.01394	1.6
97.02955	2.3
101.02435	23.6
113.02441	8.7
119.03496	6.8
121.52246	1.4
124.94138	1.4
125.02428	7.9
140.42310	1.4
142.09044	1.4
152.99516	5.9
161.04572	3.2
179.05659	1.9
198.59058	1.3
235.08237	3.2
247.74020	1.3
253.00812	1.4
279.23389	2.0
287.07947	1.6
293.21237	2.0
311.29578	100.0
397.13519	94.8
415.14566	21.1
709.44067	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71678	1.2
59.01383	100.0
71.01375	2.4
72.76041	1.3
78.98567	2.1
80.96517	30.0
85.02986	1.7
86.01155	1.1
86.85558	1.4
87.00883	1.4
94.98078	9.0
112.26469	1.5
113.08259	1.3
125.02412	2.0
134.97566	2.2
136.99153	1.4
148.99205	1.6
152.98639	3.2
164.98636	12.0
171.10263	2.5
197.67714	1.3
206.99657	1.8
225.00751	17.8
275.20087	1.4
277.21732	30.3
277.87842	1.4
285.44852	1.3
295.22818	1.7
339.08984	1.6
516.01038	1.5
537.27820	1.9
630.40356	1.5
709.38177	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93528	0.8
59.01383	100.0
61.98822	2.2
63.28666	0.8
64.49987	0.9
71.01378	2.0
78.98572	1.2
79.95718	0.8
80.96516	15.1
87.00849	1.3
92.23002	1.1
94.98100	3.8
101.02453	1.2
102.41949	0.9
105.09858	1.0
106.58997	0.8
107.42636	1.0
120.29501	0.8
125.02460	1.0
133.79483	0.9
135.43669	1.0
148.99181	3.8
152.98611	1.6
164.98694	6.8
206.99712	1.8
225.00758	12.5
273.90192	0.9
277.21783	25.6
295.22821	4.0
488.49417	1.0
505.94443	1.0
537.27405	1.2
709.37805	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58327	0.6
59.01382	1.6
61.69122	0.7
78.95909	3.5
85.65662	0.8
89.02415	1.4
127.52460	0.8
131.34268	0.8
152.99617	4.1
154.81619	0.9
168.93733	0.8
187.11203	0.8
188.56808	0.9
212.67819	0.8
236.69849	0.9
279.23355	5.4
293.21313	3.8
311.29660	7.5
347.25861	9.7
379.28574	100.0
397.13571	5.0
415.14420	1.4
709.44751	7.7
719.79950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59199	0.7
59.01383	2.0
66.01471	0.7
71.01371	1.8
72.99297	27.3
85.62481	0.7
87.23608	0.8
89.02436	3.3
92.92412	0.8
101.02444	3.3
119.62029	0.8
123.04493	6.1
135.04495	7.7
139.12457	0.8
144.04549	80.5
162.70885	0.9
179.03497	33.3
188.09296	8.3
197.04562	100.0
291.12030	0.9
339.36957	0.9
350.08835	12.3
350.14581	27.3
359.09875	92.9
386.10944	0.9
456.28516	1.0
612.03510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74856	0.9
54.99340	0.7
59.01380	7.1
71.01395	1.2
72.99301	3.7
78.24205	0.9
79.27144	0.9
91.65617	0.8
92.05079	1.1
101.02423	2.4
107.74086	0.9
112.15734	1.1
116.05025	2.2
130.06642	2.2
134.06113	1.8
142.06618	2.1
144.04541	83.1
146.02472	36.7
158.06099	20.9
160.04042	5.6
162.05629	8.3
176.07172	33.8
179.03433	1.4
186.05603	15.6
188.03532	2.2
188.06953	1.0
197.04565	5.6
204.06651	13.9
230.04495	4.6
231.76349	1.1
260.19766	1.1
308.07861	1.2
350.08862	4.0
350.14417	4.8
359.09909	7.7
368.09863	100.0
733.29431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54924	0.5
59.01377	2.4
61.98833	100.0
71.01376	0.6
75.45071	0.5
82.81301	0.6
89.02451	1.2
96.95980	0.5
101.02467	0.9
117.52151	0.5
129.55814	0.6
161.60840	0.5
175.03983	0.9
194.05409	0.6
197.04576	0.8
197.16145	0.6
440.17148	0.7
528.72668	0.6
656.10425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98846	1.9
63.83934	1.5
75.00908	2.0
101.02415	1.9
171.10295	1.7
191.03537	2.6
214.40771	1.9
312.22665	6.8
358.11020	3.3
359.11481	18.2
360.12485	1.9
373.13065	14.9
374.14020	35.9
376.11942	59.0
390.13300	2.4
391.09479	2.5
391.14310	59.2
406.16666	100.0
439.07474	2.0
450.15637	51.7
612.21191	20.1
710.24756	34.6
710.36212	5.1
713.52606	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58932	0.8
53.07148	0.7
55.86285	0.8
66.38355	0.7
73.03853	0.8
122.06074	10.1
132.35901	1.0
132.86615	0.8
144.04530	6.9
173.04608	1.0
176.07120	3.2
188.03563	5.0
202.05121	1.2
203.05907	39.7
204.06697	15.5
220.06175	4.1
234.07748	5.1
235.04947	1.5
235.08507	58.7
236.09267	1.4
238.07114	1.2
249.06587	1.3
266.06723	3.3
267.07483	39.1
267.11716	1.2
274.08801	1.9
297.52969	0.9
305.06262	0.8
309.10019	1.0
313.11856	6.9
325.12009	15.4
343.13062	1.1
345.14603	22.1
357.14590	100.0
375.15649	60.7
483.60278	1.1
611.62842	1.1
680.25934	2.0
710.27380	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2825
Annotation	3-Hydroxyrifamycin S
Peak:m/z	Relative Intensity
53.09871	0.9
59.01383	100.0
63.47095	0.9
70.06962	0.8
70.24945	1.0
71.01376	9.1
73.02949	2.7
83.01373	1.0
85.02959	2.0
99.46363	1.0
101.02428	5.1
111.55394	1.1
113.02435	4.4
123.23468	1.1
139.34596	1.2
143.54083	1.0
150.72968	1.2
161.04536	4.6
167.70787	1.1
193.04514	1.1
211.27846	1.1
305.06943	4.3
306.07745	5.8
331.17596	5.8
375.94751	1.2
547.45862	1.3
597.53363	1.4
620.24780	1.4
645.25415	1.7
650.26196	31.1
710.28302	6.6
732.25635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15910	1.0
50.45907	0.9
53.62026	0.9
59.01383	100.0
60.97219	0.9
61.78299	1.0
63.31713	1.0
66.68596	1.1
71.01379	4.5
71.79902	1.0
89.02415	1.2
101.02435	1.7
106.35783	1.0
112.48714	1.2
113.02418	1.4
117.74521	1.0
127.50105	1.1
147.20561	1.2
307.17590	1.1
341.80209	1.3
650.25818	14.0
710.27869	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17444	0.5
56.27969	0.5
56.87294	0.5
61.98818	0.5
62.59641	0.5
70.80263	0.6
95.86658	0.5
100.67261	0.5
103.43359	0.5
116.38027	0.5
121.02953	2.5
122.03767	0.8
124.01627	0.6
136.05286	2.9
143.25720	0.5
147.04570	0.7
149.02423	1.1
150.03253	3.1
159.04465	4.0
160.05280	20.6
161.06071	4.7
163.04065	3.1
164.04797	4.7
173.06061	2.4
174.06929	1.1
175.07640	36.6
177.05573	4.8
178.06354	23.1
190.06334	0.6
192.07930	13.8
193.08656	4.3
205.08617	0.7
306.07797	5.1
314.11761	0.9
320.09570	0.7
321.10022	3.0
329.13977	100.0
336.12448	7.6
343.15515	0.7
359.15060	9.2
373.16495	0.8
379.96811	0.6
403.55829	0.6
710.29724	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03671	0.6
59.01377	3.8
61.98832	100.0
77.81684	0.7
107.50153	0.7
232.83311	0.9
250.18826	1.7
263.05048	0.7
275.57782	0.7
299.97940	0.7
397.13467	0.9
398.13998	0.8
399.14069	1.2
548.01593	0.8
650.33923	2.8
657.53949	0.8
710.32727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49028	1.0
63.84270	1.0
71.01379	1.2
85.02947	15.0
87.00871	1.3
89.02431	1.6
93.03447	12.5
96.92487	1.2
98.03322	1.3
111.04491	5.6
113.02456	14.1
119.05088	1.3
120.70658	1.1
125.02427	1.1
134.03741	1.4
135.04527	100.0
137.02429	1.7
144.37277	1.1
147.04472	4.6
147.91185	1.2
155.03464	6.6
163.03986	5.9
163.18272	1.4
173.04575	33.2
179.03519	45.9
179.15436	1.3
191.01949	2.4
191.05650	39.2
193.05052	2.5
205.04970	2.5
211.06070	1.5
233.08195	82.9
241.08687	2.5
273.98761	1.2
307.13879	1.5
327.08490	1.3
337.09375	9.5
343.10397	12.8
353.08884	2.2
367.10422	14.5
439.12625	2.4
476.33755	1.5
537.16162	7.4
711.21503	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24454	0.8
59.01371	1.8
60.99307	12.9
65.72884	0.9
71.01371	1.2
72.99326	0.9
73.79894	0.8
75.47864	0.8
78.82767	0.8
82.78522	0.8
88.98797	100.0
89.02428	1.1
101.02406	1.3
107.33677	0.9
131.32988	1.2
134.03822	0.9
142.49576	1.0
164.04765	5.0
173.86331	1.0
223.06122	6.3
300.06693	0.9
549.18298	1.3
621.21777	2.1
711.32361	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
67.01900	0.8
69.03447	0.9
69.97476	0.6
71.01382	2.6
73.35694	0.5
81.28876	0.6
83.05034	0.5
85.02932	3.2
89.84685	0.6
92.23116	0.6
93.03446	10.1
101.02470	0.7
111.04501	3.1
113.02447	41.6
119.05023	13.0
134.03679	0.7
135.60159	0.8
137.02470	4.3
145.02939	6.8
155.03479	4.2
163.04010	24.3
173.04555	100.0
189.05536	0.9
191.05641	11.8
193.05022	2.8
199.95247	0.6
217.08701	3.4
261.07581	2.3
304.75003	0.6
319.08221	2.6
325.09262	1.2
337.09375	8.9
367.10962	0.8
404.46213	0.8
436.56274	0.7
447.72595	0.6
573.32922	0.7
597.18439	14.1
711.21490	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30260	0.4
53.81908	0.4
62.29646	0.3
72.77368	0.4
119.43321	0.5
134.03740	18.9
137.02412	2.0
139.04028	0.6
141.53638	0.4
149.06076	21.6
178.02721	29.1
191.05603	0.4
193.05066	100.0
217.04942	0.5
291.78973	0.4
355.10376	35.3
387.64542	0.4
484.71335	0.6
584.23029	0.5
589.80499	0.5
600.85175	0.5
711.20624	0.6
715.47949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51040	0.6
54.71745	0.8
60.12246	0.5
70.08344	0.6
86.59157	0.7
89.41006	0.6
93.03468	1.1
111.04549	0.8
124.83208	0.8
134.03740	20.9
134.90089	0.8
137.02448	1.6
149.06079	18.3
160.01694	0.8
163.73076	0.9
173.04530	3.5
175.04036	4.6
178.02722	27.4
191.05568	1.5
193.05070	100.0
207.71886	0.8
313.85992	0.8
315.07214	0.9
355.10422	39.4
398.00360	0.8
404.03549	0.8
699.60870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
71.01376	3.0
73.02953	0.9
85.02947	3.6
95.01386	0.8
101.02409	1.4
108.02165	21.1
109.02952	12.5
116.32137	0.7
151.04019	1.2
151.99916	1.6
152.01149	41.4
153.01945	25.3
153.05525	1.2
163.04045	2.8
165.01953	0.8
180.06700	2.8
181.05080	0.7
191.02037	0.9
191.05577	1.3
196.00243	0.7
203.08316	5.3
222.07706	2.8
223.08160	1.0
275.10376	1.1
315.07272	100.0
711.19940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78518	0.3
59.01388	0.5
71.01362	0.8
73.02930	0.4
73.08285	0.4
85.02941	3.5
95.08653	0.4
101.02440	1.9
107.94614	0.4
108.02166	19.8
108.02876	0.9
108.31931	0.5
109.02946	13.3
113.02415	2.1
119.05028	0.7
121.02934	0.5
123.00887	0.6
123.04502	0.8
135.04456	0.5
145.02960	0.4
151.03969	2.3
152.01152	46.2
153.01935	26.4
163.04041	3.5
165.01939	2.5
173.04584	0.6
175.04025	0.7
179.03441	0.5
191.01881	0.8
191.05513	2.0
193.05058	0.7
203.08308	0.7
203.80534	0.5
233.22079	0.4
277.87579	0.5
315.07269	100.0
319.10477	0.5
354.34366	0.5
409.04306	0.5
489.15784	1.9
711.20819	2.5
734.55603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13273	1.7
55.36502	1.6
59.01382	4.8
71.01395	3.9
73.71201	1.9
80.36288	1.9
80.64073	1.9
83.47983	2.4
84.42869	1.9
85.02937	3.4
101.02455	3.2
116.42249	1.8
118.07913	2.2
149.02428	4.8
164.04814	19.1
165.01947	19.1
179.03520	2.4
179.07162	3.5
180.04295	35.0
190.02718	45.3
191.05603	4.1
193.05092	2.8
194.05858	3.2
195.06647	33.4
204.82329	2.2
205.05075	100.0
208.03818	2.7
210.05423	4.3
216.09236	2.4
223.06122	27.0
225.07751	9.1
291.09595	2.3
367.99469	2.3
369.73584	2.1
375.08530	2.2
401.12424	2.1
424.57693	2.3
485.16769	74.3
586.91815	3.2
711.25146	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
64.12108	1.3
70.71365	1.3
71.01376	1.7
72.99300	2.3
75.19452	1.4
89.02428	2.3
101.02451	3.5
113.02455	1.8
119.05042	1.8
121.03018	1.4
134.03722	3.0
149.02432	6.1
149.06049	10.3
164.04756	11.1
165.01917	23.8
166.02673	1.8
176.01114	9.0
179.03464	5.7
179.07169	8.0
180.04308	43.3
181.05034	6.6
190.02715	7.9
191.03537	32.3
191.05440	2.4
191.51945	1.5
194.02179	1.6
194.05840	3.7
195.02914	2.4
195.06648	78.2
205.05066	37.2
205.77727	1.9
206.05843	23.9
207.03075	1.9
208.03871	11.8
209.08133	7.1
210.05333	14.0
221.08209	29.6
223.06117	38.1
225.07668	17.4
237.07683	6.9
250.04822	10.2
265.07187	43.0
267.08722	11.5
280.79163	1.9
325.09290	3.7
330.27255	1.5
423.18616	1.9
449.14648	16.1
454.20993	1.6
456.11606	1.9
469.13409	1.8
470.14636	2.4
484.15805	14.5
485.16772	26.3
491.15668	12.3
496.62021	1.9
521.16711	2.4
539.17224	1.7
551.17963	15.6
693.23627	2.4
711.25092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.4
71.01369	15.1
72.81171	0.9
73.02945	7.9
83.01376	4.5
85.02938	10.2
89.02443	2.6
96.96006	9.4
99.00891	1.7
101.02440	23.8
113.02447	8.1
145.08708	2.6
156.71700	1.1
164.04739	2.5
166.06369	8.0
167.07144	2.7
175.04021	1.4
181.05124	2.1
181.08711	46.2
195.06621	1.2
203.91818	1.3
205.05090	2.2
223.06190	1.6
301.63501	1.2
328.11578	1.4
343.14005	100.0
375.14102	1.2
394.69675	1.2
553.22968	46.1
711.24384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01757	1.4
59.01384	15.8
60.69254	1.6
69.62349	1.6
71.01374	2.8
89.02467	2.1
96.96025	4.1
101.02431	3.5
103.53725	1.6
113.02367	2.1
119.05045	3.3
133.57927	1.7
135.04497	6.6
136.05304	3.7
151.25150	1.9
175.04024	2.8
177.05627	3.7
191.05457	1.8
193.05060	2.4
195.06639	100.0
350.06064	1.9
365.16672	1.8
405.15546	36.6
421.39606	1.8
441.17642	29.1
569.69806	2.0
651.26862	14.7
711.23004	2.7
716.39496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	1.3
59.01110	2.1
59.01382	49.7
69.03822	1.3
71.01376	23.6
71.19286	1.5
72.79922	1.4
75.37856	1.4
83.01385	2.6
85.02959	6.8
89.02440	27.6
90.37321	1.5
95.01351	1.6
97.98793	1.6
98.73438	1.7
101.02431	22.4
113.02448	17.7
116.89259	1.6
119.03457	7.0
135.04506	8.3
149.10851	1.7
157.59593	1.7
163.03984	2.6
164.04736	19.7
165.05075	2.5
166.02625	2.6
178.06143	2.1
179.07034	2.8
186.99350	1.5
189.09203	11.6
190.02756	22.0
190.09999	41.0
190.11592	2.6
191.03108	12.8
192.03302	3.1
203.10823	9.7
205.05061	49.8
205.97993	1.7
206.05402	30.3
207.05608	15.0
211.96872	1.5
223.06041	6.6
224.06435	3.0
239.90410	1.8
257.15482	13.3
258.16177	6.7
312.51337	1.7
325.21729	6.7
343.22708	14.8
392.62207	2.1
436.21094	21.6
464.16241	2.1
465.16275	2.4
469.17120	22.7
470.17477	37.2
471.17752	61.6
504.27353	8.5
505.28073	38.8
549.27014	2.6
667.33185	7.3
711.32458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.1
59.01385	26.2
69.86710	0.8
71.01388	15.5
73.02962	1.9
73.73988	1.0
74.96564	0.8
85.02944	3.9
89.02425	17.1
96.95988	1.0
99.00862	1.2
101.02431	17.2
113.02434	8.9
115.08376	1.1
119.03483	6.6
135.04582	1.6
137.75163	1.0
149.06082	1.4
159.04582	1.0
160.05258	4.9
163.03844	1.1
164.04776	1.5
175.07631	8.3
177.05583	1.7
178.06349	2.4
188.08426	6.7
189.56566	1.0
190.09975	17.0
192.07910	1.5
194.00121	1.0
197.04518	1.1
203.10863	4.5
205.05067	2.1
216.11644	1.4
217.12346	1.3
256.14597	1.5
258.16248	1.9
272.14481	1.4
273.18570	7.8
308.08798	1.1
325.21777	2.4
329.13950	21.0
343.22760	17.1
359.14877	1.3
434.18948	1.2
436.21100	15.4
471.17749	2.2
504.27417	3.9
505.19968	2.8
505.28033	18.3
538.56519	1.1
596.57397	1.2
711.32452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31631	0.9
53.69656	1.0
53.78696	1.0
59.01403	1.7
66.16846	1.1
71.01382	7.9
73.02935	1.5
85.02950	2.5
97.02940	1.4
101.02425	2.0
104.87227	1.1
113.02404	2.6
125.06091	1.9
130.63190	1.1
136.05214	1.4
138.06833	1.5
139.07658	5.3
149.06093	2.5
151.07643	11.5
152.08438	2.3
153.09265	4.7
159.04471	1.7
160.05354	2.9
161.04602	1.6
175.07552	1.7
179.03514	2.1
188.08421	11.7
190.09966	4.9
201.12894	4.9
202.09987	7.2
203.10770	19.1
204.11592	10.0
205.12367	2.8
216.11574	6.6
217.12329	13.6
218.13171	1.4
219.13899	18.9
230.13087	1.9
255.17430	2.3
263.12912	28.6
272.14261	4.6
273.18619	47.1
274.15787	5.0
287.16452	2.2
325.21912	5.7
342.21991	70.8
343.22797	100.0
447.22388	6.4
505.28174	43.4
523.73315	1.3
711.32629	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51137	1.4
59.01372	3.1
61.26820	1.3
70.70138	1.5
71.01372	3.3
83.60978	1.5
89.02441	1.8
95.09320	1.5
101.02422	1.9
105.64606	1.6
110.24664	1.5
112.52280	1.6
113.02462	1.6
119.03439	1.5
207.79953	1.6
240.10043	1.6
265.90906	1.7
277.21646	13.7
397.13626	15.9
415.14758	5.6
504.39420	1.8
622.41467	1.7
675.35516	7.2
694.24939	1.9
711.33612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68025	1.0
57.16745	1.0
59.01390	4.4
71.01373	7.6
73.02943	1.7
85.06613	1.2
86.22755	1.3
89.02404	2.1
91.72605	1.2
97.02920	5.2
101.02416	5.8
101.15156	1.2
105.07095	1.4
107.61678	1.1
108.05824	2.8
108.37799	1.3
111.04512	2.3
113.02472	2.5
113.06066	5.2
123.08087	4.9
125.06068	8.4
133.97981	1.1
135.04524	2.1
137.05980	1.2
138.06845	1.8
139.07648	14.5
149.06117	4.8
151.07632	31.9
152.04872	1.2
152.08449	15.9
153.09233	10.1
160.05275	2.4
161.02536	1.5
161.04597	2.4
161.09734	2.5
163.07603	5.2
175.07664	1.8
179.03487	6.9
188.08449	14.1
189.09212	3.1
190.09988	7.0
201.12868	13.6
202.09988	7.1
203.10831	22.8
204.11566	27.0
205.12317	4.7
216.11574	8.0
217.12347	9.3
219.13896	48.9
219.19844	1.2
255.17412	2.0
258.16150	1.8
263.12888	97.3
272.14182	2.8
273.18616	47.8
274.15759	6.8
287.16675	2.9
288.17316	1.6
300.17392	1.9
315.18225	1.7
317.73904	1.4
325.21646	2.8
342.22018	77.7
343.22787	100.0
447.22302	14.3
505.28070	45.7
505.35068	2.5
711.33057	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.0
70.45458	1.1
71.01375	21.4
80.24087	1.3
83.01361	1.6
85.02949	2.2
87.00859	1.6
88.46274	1.1
88.77770	1.0
89.02435	23.8
97.02936	2.1
101.02441	19.6
101.28076	1.1
112.74667	1.1
113.02458	10.6
119.03493	5.4
125.02433	7.4
145.93996	1.2
152.99574	1.8
161.04552	2.6
190.14635	1.2
221.06566	1.3
235.08243	7.0
253.21753	100.0
281.03989	1.4
292.90839	1.2
338.54120	1.3
397.13535	70.6
415.14645	22.0
519.11414	1.4
630.83392	1.3
651.36060	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64816	2.1
59.01384	44.3
61.52998	2.2
70.21760	2.1
71.01376	31.9
73.02948	5.2
83.01394	3.8
85.02950	15.2
87.00842	3.0
89.02437	11.9
89.39018	2.0
99.00904	2.7
101.02435	37.3
113.02445	29.9
119.03510	2.7
125.02400	5.1
143.03487	3.3
149.71689	2.3
161.04597	5.6
183.13931	4.2
240.51047	2.5
313.23923	4.1
317.81281	2.5
471.26483	2.6
607.36981	32.7
625.38257	29.0
667.39240	100.0
676.12494	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67813	1.2
59.01101	1.9
59.01378	29.4
63.00407	1.1
66.26894	1.6
71.01377	22.4
73.02948	3.2
74.98704	1.3
78.87329	1.3
83.01358	1.5
85.02950	5.1
87.00870	2.5
89.02437	31.6
97.02938	2.8
101.02442	22.7
106.07237	1.4
113.02434	8.4
119.03484	6.8
125.02449	7.8
143.03555	1.6
152.99593	1.5
161.04549	3.4
179.05510	1.3
229.31490	1.4
235.08199	6.0
253.21751	100.0
277.21786	8.8
305.08832	2.1
306.74228	1.5
314.76093	1.5
397.13531	88.3
415.14532	22.9
595.28265	1.5
628.68823	1.5
643.75897	1.4
651.36011	39.7
675.35822	5.7
711.33789	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88246	1.2
59.01386	38.9
60.16034	1.5
65.44259	1.6
71.01377	32.7
73.02945	9.5
83.01376	3.5
85.02950	19.0
87.00867	2.4
89.02435	13.7
95.01406	2.1
97.02911	1.8
99.00844	2.3
101.02441	32.1
111.00845	2.4
113.02449	25.2
115.41449	1.5
119.03516	3.6
124.01623	1.4
125.02430	3.4
128.45813	1.7
143.03491	2.4
144.31972	1.7
159.03006	2.2
161.04613	2.1
164.86076	1.6
171.10281	1.5
176.98975	1.5
201.11362	3.7
238.17900	1.7
268.04050	2.6
271.46423	1.7
283.06186	17.0
299.25949	2.0
311.22458	2.3
313.23712	8.6
399.14383	1.7
445.31970	3.5
463.32742	9.7
598.05475	2.0
607.36945	39.3
625.38007	28.2
667.39227	100.0
711.38269	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63283	0.9
52.77213	0.9
53.54032	1.0
55.01876	2.1
57.03468	1.1
59.01382	40.5
65.00961	1.0
71.01377	31.2
73.02923	10.4
81.03456	1.1
83.01386	5.9
85.02940	16.1
86.76690	1.2
89.02431	14.8
95.01384	1.7
97.02933	2.4
99.00878	5.6
101.02428	33.0
111.00885	1.6
112.01632	1.2
113.02448	23.1
119.03516	4.1
122.95068	1.2
125.02450	2.7
143.03525	1.9
159.02979	2.1
161.04582	4.9
171.10310	1.6
192.22211	1.3
201.11322	2.6
242.47084	1.1
254.85712	1.4
268.03787	6.2
283.06171	23.0
299.25818	2.7
301.05075	1.2
301.27438	5.0
313.23718	6.6
403.00919	1.4
445.31641	2.7
463.32718	9.5
607.36987	36.1
625.38141	28.4
667.39258	100.0
711.37238	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60128	1.3
67.35104	1.6
70.47896	1.4
72.65068	1.5
78.95886	2.3
88.32008	1.4
96.95992	1.5
113.07201	5.3
140.07089	3.5
141.06686	3.1
141.12784	10.2
148.07640	1.7
151.13292	1.7
152.99489	3.5
170.09369	11.3
186.13591	1.9
186.15022	29.5
191.74309	1.6
200.10899	3.2
202.12363	7.4
207.83925	1.6
227.11922	41.7
228.10147	2.9
244.14461	11.3
245.12955	100.0
262.15598	23.2
269.24811	2.4
272.20178	2.6
279.23175	4.0
280.16574	2.6
316.19199	1.9
367.82809	1.8
414.27655	17.9
415.25903	7.0
432.23361	2.1
432.28729	55.9
480.65323	1.9
488.31992	1.8
675.41437	71.8
711.38751	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
71.01376	14.0
73.02925	2.6
73.68027	1.5
78.95880	2.4
83.01379	3.1
85.02953	6.9
89.02440	9.6
93.70338	1.7
96.96003	1.8
101.02452	19.8
109.57754	1.5
113.02460	3.2
118.33206	1.5
126.22268	1.6
352.45703	1.8
387.29105	36.8
495.28085	1.8
549.34387	27.1
627.78979	1.7
711.39850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28623	1.4
59.01385	49.2
59.53971	1.8
71.01382	23.7
85.02956	4.0
89.02445	29.3
97.02936	4.3
99.04523	2.6
99.32981	1.7
101.02450	26.7
101.06066	2.3
109.98774	1.7
113.02431	11.1
113.06058	1.9
115.04011	19.4
119.03494	13.1
169.89326	1.7
169.90944	1.9
184.71121	1.9
278.68887	2.0
279.10876	66.4
291.09033	2.4
291.97614	1.8
304.06033	2.4
307.08401	7.8
318.07745	9.7
319.08615	3.2
320.09216	2.0
322.11005	9.8
334.10840	13.1
359.31714	1.9
377.14594	100.0
450.15524	2.6
464.17114	2.5
492.16492	4.0
712.26349	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39822	0.4
61.42884	0.4
62.08253	0.4
62.32728	0.5
109.02969	4.3
114.07065	0.4
120.61963	0.4
121.02931	5.5
122.03727	12.5
123.04550	0.7
128.91957	0.5
134.03783	0.7
135.04544	1.2
136.05310	2.5
137.02458	0.7
147.04536	1.2
154.02782	0.7
161.06023	0.9
165.05566	30.8
165.06972	1.0
179.07153	9.4
214.50751	0.5
223.09834	0.8
298.12006	1.8
301.10849	0.9
306.07831	0.9
313.14429	2.3
315.12491	3.5
316.12933	0.9
336.12512	0.7
343.15634	0.8
346.14221	16.4
361.16608	100.0
370.30042	0.6
375.18225	0.6
496.22601	0.5
550.90961	0.5
712.31836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79204	0.4
53.47598	0.5
57.82917	0.6
59.01385	5.7
59.35156	0.5
64.41006	0.6
67.38902	0.6
78.95894	0.7
83.31000	0.6
86.02964	0.6
96.97050	0.6
114.36916	0.6
152.99612	0.8
163.19852	0.6
169.98390	0.6
253.05084	48.5
254.05655	1.2
268.05524	0.7
296.06882	6.1
376.07434	1.1
404.06979	7.3
405.07248	1.1
417.11353	4.9
429.07031	0.8
430.08664	1.2
443.09766	1.2
444.09998	3.5
445.10898	39.6
455.09402	0.7
457.06738	1.1
462.11179	3.7
463.12009	1.1
471.08807	3.9
472.09793	0.9
473.10339	100.0
489.09723	1.3
489.89883	0.7
490.10541	3.5
491.11176	3.1
533.12439	19.2
593.14667	14.2
653.16791	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	80.6
80.04488	1.2
92.22546	1.3
99.64899	1.2
118.35497	1.4
123.04513	36.8
125.74857	1.5
135.04524	40.3
144.28110	1.6
151.04001	1.9
158.37140	1.2
174.03215	5.5
179.01921	2.9
179.03503	81.9
197.04575	67.4
197.06447	2.0
202.02731	2.4
211.06158	7.9
215.03442	1.5
217.05121	3.0
264.07776	1.6
280.07458	2.4
281.46515	1.4
282.21866	1.4
293.04581	2.0
294.05261	2.6
306.05228	2.3
308.06931	7.6
309.07730	12.7
323.09320	20.8
330.69531	1.3
335.09363	1.8
339.08655	6.2
341.10098	2.1
353.10474	12.1
353.14105	2.1
483.13043	3.0
515.15729	2.0
577.15228	2.8
683.19904	18.4
695.19812	30.7
713.21063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
59.36495	1.1
59.59072	1.2
64.77084	1.1
71.01371	1.4
73.02943	1.3
83.52801	1.3
84.84123	1.1
89.02416	1.2
101.02455	11.5
115.00414	1.1
121.02902	1.9
125.67362	1.1
133.01450	3.0
134.03714	19.1
139.67097	1.3
149.06082	16.3
150.03229	11.3
165.05565	54.7
175.03958	9.3
176.04790	9.7
178.02707	19.0
180.04240	2.9
191.07138	23.1
193.05064	100.0
195.06644	22.1
196.61029	1.4
217.05122	1.5
220.03766	1.9
220.77612	1.5
235.06071	19.8
250.06424	1.9
282.09036	11.0
341.10226	23.7
383.11334	2.7
389.12460	40.4
431.13443	5.8
525.48859	1.4
533.16534	1.3
539.57703	1.4
551.17731	73.9
593.18787	2.6
655.20062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
70.27407	1.6
71.01372	3.2
73.02969	2.1
74.28291	1.3
79.41866	1.7
89.02415	1.9
92.98500	2.0
101.02436	14.6
107.17881	1.5
133.01418	8.1
133.60095	1.6
134.03745	18.7
137.02402	2.4
142.98816	1.7
149.02393	1.8
149.06070	20.5
150.03206	7.9
151.31296	1.6
165.05569	57.1
175.04002	10.6
176.04759	9.7
178.02733	23.8
180.04358	1.9
191.07104	21.2
193.05069	100.0
195.06647	18.5
202.21698	1.7
220.03740	3.7
235.06154	20.2
282.08939	9.6
341.10349	15.9
389.12405	37.1
396.65393	1.9
431.13528	3.3
433.63071	2.1
551.17798	70.0
593.18921	3.6
713.32684	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.7
71.01372	0.9
78.90426	0.7
84.33659	0.7
87.00904	0.9
93.03459	13.6
111.04510	3.0
112.85014	0.7
119.05025	14.2
137.02444	4.5
155.03534	4.2
163.04008	21.8
164.14124	0.7
173.04549	100.0
191.05626	58.5
191.07391	1.3
259.58463	0.8
337.09329	72.3
590.96075	0.8
744.04230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55275	2.3
62.18520	2.0
78.25664	1.9
81.94335	1.8
92.23134	2.2
111.00845	8.5
121.02972	2.3
122.03686	4.4
128.01233	2.2
134.03726	24.6
135.04523	4.3
146.03732	60.3
149.02449	5.0
149.06064	16.0
150.03218	62.3
160.01662	31.0
161.06076	33.3
163.04047	2.5
164.04785	53.3
165.04422	2.0
165.05554	98.4
175.03984	100.0
176.04778	3.9
178.02695	3.1
179.07143	87.2
180.04274	8.6
191.07137	10.0
193.05095	35.1
195.06599	19.0
197.04382	2.2
217.05034	3.7
235.06029	18.8
250.06314	7.9
271.16522	2.5
282.09030	17.3
337.09283	36.4
341.10229	22.8
431.13327	3.9
485.14349	28.5
517.17181	75.9
533.16669	59.2
654.38940	2.3
713.24475	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68447	3.4
72.28038	4.3
75.93320	3.8
81.46902	3.9
96.96009	34.5
101.02448	5.2
133.01408	6.7
134.03735	22.6
140.31322	4.9
149.06078	22.6
150.03201	24.9
157.22191	4.3
160.01601	5.1
165.05548	100.0
175.03995	34.0
176.04764	7.8
178.02663	19.8
179.07138	5.4
191.07143	39.3
193.05066	89.8
195.06630	35.0
235.06107	56.0
274.18079	4.9
282.09018	8.3
341.10379	23.3
383.11221	26.5
389.12463	66.7
431.13672	46.9
431.26215	5.0
461.14648	9.9
491.15561	59.5
551.18353	7.5
707.87524	5.3
713.22443	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
61.98832	2.8
62.29731	0.9
63.91472	1.0
71.01355	2.1
88.17468	1.1
106.28372	1.3
113.02470	1.3
134.03760	16.3
149.02438	2.9
149.06050	6.5
150.03224	20.8
151.03983	4.5
160.01675	34.8
164.04797	4.8
165.05563	28.3
175.04004	65.2
176.04771	6.9
177.05540	1.6
178.02774	1.6
179.03494	1.6
180.04283	2.3
191.07144	18.8
193.05067	37.4
207.06630	6.5
226.64229	1.3
235.06157	25.6
257.53964	1.2
259.07761	1.2
265.07153	2.3
295.08179	4.9
327.12488	1.8
337.09393	2.7
348.59488	1.2
533.17725	2.0
571.18616	2.5
665.22382	10.9
695.23364	20.5
713.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75400	0.2
53.13745	0.3
55.32172	0.3
59.01376	0.4
69.65941	0.3
71.01372	0.4
77.87019	0.3
85.02934	3.0
87.87012	0.3
88.57726	0.3
93.03433	1.2
100.99037	0.3
101.02439	0.3
106.02861	0.3
127.04005	0.8
142.00694	0.3
173.04578	1.3
177.05524	0.5
191.05624	100.0
196.81526	0.3
216.13509	0.3
254.84779	0.4
455.31540	0.4
713.22314	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60347	0.7
51.68298	0.7
52.40135	0.8
54.37968	0.8
59.01379	44.9
65.50967	1.0
66.05902	0.8
71.01375	5.3
73.02934	1.5
80.30319	0.9
83.24352	0.9
85.02950	2.2
87.00877	1.9
89.02444	5.6
96.96005	3.9
101.02443	7.3
113.02444	3.9
121.03053	0.9
149.02414	2.0
150.03181	4.1
151.00327	10.6
153.72475	1.1
164.04819	2.5
165.01932	12.7
165.05556	6.3
166.02708	70.4
166.04134	2.3
179.03516	1.5
180.04300	29.6
181.05074	100.0
190.02673	5.3
191.05621	4.1
194.05869	2.0
195.06642	45.7
205.05081	11.4
210.05370	9.7
223.06151	2.3
225.07698	33.3
245.30301	1.1
263.11444	1.6
305.12411	6.4
359.11404	4.5
407.13379	10.8
469.17102	5.2
487.18109	4.0
546.47467	1.1
695.25415	2.1
713.26831	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95621	0.6
56.80417	0.8
59.01386	5.7
60.67399	0.6
63.07901	0.6
71.01390	1.1
73.02962	0.7
81.66867	0.8
85.02937	0.8
89.02446	1.1
92.22571	1.0
99.00897	3.2
101.02418	4.1
123.04527	0.7
125.09789	0.8
161.02411	5.5
163.03937	1.2
163.11298	1.7
163.71259	0.8
164.04799	5.0
177.01956	1.7
179.03476	1.2
181.12358	24.6
183.10265	1.3
190.02715	19.2
201.11316	11.7
205.05083	52.4
207.10304	17.2
209.04617	1.2
215.12947	1.7
218.08253	1.6
223.06177	4.8
225.11353	100.0
243.12386	79.0
243.16071	1.2
265.08212	0.9
309.90411	0.8
469.17242	39.7
669.27716	1.0
683.24182	1.2
695.23993	0.9
713.23755	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
68.72560	1.4
71.01360	2.7
71.31411	1.3
75.30796	1.4
89.02439	2.0
99.83816	1.4
101.02418	1.7
104.01955	1.3
119.03601	2.1
119.24706	1.7
119.88196	1.6
225.49385	1.7
273.75641	1.8
279.23322	16.1
315.22968	1.7
394.10703	1.7
397.13531	17.1
415.14777	2.9
463.87247	2.0
503.66232	1.9
663.22168	1.8
677.37683	6.8
713.35315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3889
Annotation	Avermectin B1b monosaccharide
Peak:m/z	Relative Intensity
53.03410	0.6
61.06545	0.6
72.48766	0.6
74.75873	0.7
78.95902	20.2
95.24629	0.7
96.96947	7.5
113.09740	4.1
116.13102	0.7
121.87070	0.6
135.63458	0.8
135.79123	0.9
138.53831	0.7
140.69861	0.6
152.99591	18.3
159.10266	71.0
223.00061	6.0
232.78473	0.9
241.01208	30.1
255.23312	66.4
259.02222	3.2
297.03806	1.2
315.05002	1.3
329.23523	0.9
706.38550	0.9
713.38879	100.0
717.42212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.70896	1.5
61.98877	1.4
66.90149	1.9
68.24439	1.9
74.23281	1.7
78.95894	24.3
96.90055	2.0
96.96950	10.0
105.40656	1.8
107.93291	1.9
111.94500	1.7
113.09725	2.2
138.62683	1.7
152.99564	17.8
159.10262	71.7
162.19145	2.0
180.70671	1.7
190.00508	1.9
223.00116	2.4
241.01157	26.7
255.23322	64.4
451.74146	1.8
456.93042	2.2
512.93390	2.2
549.21143	1.9
632.76172	1.8
713.38721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23655	1.1
59.01386	19.9
60.64943	1.2
65.19839	1.0
69.03416	1.4
71.01383	18.6
73.02943	3.1
80.20573	1.3
81.03456	1.5
81.71365	1.3
83.01379	1.9
85.02954	3.1
87.00883	14.1
89.02438	21.1
97.02948	2.2
99.00874	1.4
101.02449	29.5
110.27146	1.2
111.66725	1.2
113.02439	17.5
115.04004	1.4
119.03493	5.5
125.02437	11.3
140.59576	1.2
143.03525	5.3
161.04541	5.8
163.89816	1.3
179.05692	1.3
221.06680	1.8
235.08241	8.5
253.09250	8.1
255.23318	100.0
269.24838	4.9
287.07767	1.3
305.08878	1.4
397.13541	88.9
415.14706	34.7
577.06421	1.3
653.37744	49.6
713.35022	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51779	1.0
52.09769	1.2
54.16750	1.1
57.03443	1.2
59.01372	9.1
71.01376	2.1
87.00881	1.6
89.02435	5.7
98.28951	1.3
99.95556	1.2
101.02439	5.6
105.97824	1.2
113.02425	2.4
137.09752	2.1
155.10786	37.1
161.04581	1.8
171.10268	24.3
187.18884	1.5
199.09802	5.9
217.10814	43.3
221.25919	1.5
241.47879	1.4
255.23326	20.3
258.38693	1.4
277.21707	14.4
291.14581	1.7
302.58276	1.4
318.90677	1.4
343.34506	1.7
344.03046	1.4
357.70044	1.6
397.13510	8.1
453.19583	9.3
468.11523	1.4
536.38080	1.6
653.37646	8.8
667.68494	1.7
686.90753	1.6
713.41345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21996	0.8
59.01371	5.7
63.08047	0.8
71.01379	4.2
73.01061	0.8
79.38479	0.9
89.02432	4.7
101.02441	4.5
113.02461	1.9
116.92849	0.9
119.03522	1.2
124.19724	1.0
134.48534	0.9
135.48665	1.0
137.09686	3.6
138.41180	0.9
155.10783	52.3
156.09233	0.9
156.88144	1.0
171.10277	33.4
177.44905	1.1
199.09789	9.6
213.11371	1.4
217.10820	53.6
253.09158	1.1
255.23291	9.7
277.21765	17.0
291.14490	1.7
308.52325	0.9
333.61694	1.0
397.13464	8.0
415.14566	1.3
453.19742	7.8
496.07648	1.0
508.46866	1.2
521.85168	1.0
604.01770	1.5
653.37354	4.7
703.50555	1.1
713.41266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36387	0.6
56.37222	0.6
68.69692	0.6
70.55354	0.7
78.15399	0.8
85.71487	0.7
89.02245	0.7
92.23129	0.9
96.67175	0.7
102.13315	0.7
130.29341	0.8
140.30367	0.8
225.16049	1.4
247.52608	0.7
355.50970	0.8
426.21283	0.9
677.49042	1.2
713.47479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47069	0.4
58.80645	0.5
61.98814	0.7
65.04613	0.4
110.82138	0.5
124.87879	0.5
127.11317	0.6
141.12881	8.8
155.14465	4.1
162.24757	0.6
167.52641	0.5
226.96384	0.5
231.21222	0.6
249.22231	11.9
255.23228	0.6
277.21658	0.8
293.21432	0.5
295.22818	100.0
296.20016	0.6
484.49075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13013	0.2
51.70914	0.3
61.98828	1.3
67.34534	0.3
81.11333	0.3
82.83043	0.3
109.33006	0.3
153.12845	8.7
168.56938	0.3
170.15460	0.4
175.04045	1.3
191.07034	0.4
193.05139	0.6
196.13446	1.3
197.11845	14.7
214.14508	100.0
215.12904	6.9
241.36893	0.3
295.69403	0.3
394.91180	0.3
407.12000	0.4
714.24738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96278	0.3
64.19470	0.3
70.53684	0.4
113.09737	0.4
125.09736	0.4
129.48212	0.4
139.11269	4.5
153.12791	1.6
191.18074	5.5
224.14148	0.6
229.19716	0.4
247.20709	3.5
251.22322	0.4
293.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.5
68.32405	3.8
71.01373	28.1
76.28535	3.6
80.15970	3.2
89.02445	45.4
92.22511	8.2
101.02431	14.6
113.02415	6.8
117.10835	3.4
119.03455	7.0
148.44772	4.0
159.29556	4.3
168.83568	3.9
225.22285	14.6
255.23302	8.3
279.23285	7.8
334.35840	4.4
416.24316	4.5
467.07999	4.9
534.49103	16.3
636.38562	4.2
714.55847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78455	2.6
59.01389	41.7
61.82397	2.1
61.97410	2.1
68.48199	2.0
71.01382	26.3
89.02451	22.8
101.02423	15.8
103.36057	2.2
113.02413	4.5
119.03490	5.7
176.79283	2.6
179.05609	3.7
182.31680	3.2
225.22247	10.1
276.52396	2.8
280.26486	4.4
354.18872	2.8
483.73917	2.5
534.49023	5.8
549.56146	2.7
659.17505	3.1
714.55389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	1.2
82.52467	0.2
96.96007	100.0
110.66908	0.2
118.73675	0.2
183.74663	0.3
340.84726	0.2
357.44168	0.3
447.01752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27605	1.3
54.15140	1.3
58.17664	1.4
61.19250	1.7
78.68439	1.4
96.95935	1.7
100.43576	1.4
106.68612	1.3
111.57327	1.4
125.36286	1.5
145.37299	1.5
159.03250	8.3
160.04033	26.3
186.02057	1.6
186.50439	1.5
188.03545	100.0
191.05449	1.5
203.08446	2.0
233.05045	2.2
276.06766	2.3
291.05466	2.3
304.06183	16.4
306.07632	1.7
307.08334	1.8
334.07343	15.3
342.06546	1.9
463.11331	1.5
468.10992	7.0
470.65094	1.9
498.15643	5.1
593.09760	2.2
596.16809	2.3
623.18237	2.3
641.19519	21.3
671.20245	9.7
715.31189	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79800	1.2
53.41786	1.3
59.01375	2.9
60.15293	1.4
62.00727	1.3
73.19917	1.4
81.06625	1.5
116.91874	1.5
135.32346	1.6
138.96916	1.5
140.81129	1.6
159.03270	10.6
160.04041	39.1
186.02040	2.2
188.03545	100.0
276.06503	2.0
290.04550	2.1
304.06177	16.6
319.04877	2.0
322.10715	1.7
468.10837	6.9
483.13211	2.1
498.16275	2.3
593.09607	2.6
596.17352	6.9
623.17670	2.4
636.98358	1.6
641.19434	19.8
671.21094	11.9
715.19043	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99302	0.6
61.50890	0.8
75.43180	0.8
76.15658	0.8
89.67491	0.9
90.28149	0.8
108.41437	0.8
127.40396	0.8
144.04558	0.9
149.02451	1.1
156.82870	0.9
159.03267	10.0
160.04053	26.4
186.01952	3.5
188.03543	100.0
192.14313	0.8
276.06744	1.0
289.04001	1.0
290.04550	3.2
302.04712	1.0
304.06259	19.1
319.05096	1.5
319.08664	1.2
440.11456	1.7
453.08481	3.5
468.10870	5.4
483.13431	1.5
498.15665	4.7
593.09943	4.0
596.17078	4.3
608.12286	1.2
623.17804	4.2
638.16394	1.3
641.19171	15.6
653.19122	4.1
656.17847	1.8
671.20599	10.4
715.19580	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88277	2.0
58.79741	2.3
59.01391	4.6
71.01363	3.0
72.99290	5.0
87.00877	9.4
89.02448	4.2
96.96004	9.1
101.02441	3.5
118.98071	3.5
149.02440	4.6
150.03217	15.1
151.04031	3.6
161.02423	2.8
165.01970	4.6
165.05617	3.3
166.02779	5.4
179.03516	11.6
180.04282	18.9
181.05132	22.0
191.03450	5.4
191.07146	2.7
193.04988	3.7
194.05841	9.5
195.06633	34.3
197.04552	4.4
205.05070	3.8
207.06635	2.3
209.04654	5.4
209.08130	9.4
210.05438	11.6
225.07829	8.4
246.67523	2.4
251.05453	3.7
312.10144	2.8
324.06253	3.1
337.07083	3.8
339.08658	3.6
351.08612	2.9
353.06461	5.6
355.08179	3.3
356.08871	9.6
368.08975	13.1
370.10620	9.1
371.11646	5.1
391.23471	4.2
475.16672	3.6
498.11548	2.7
505.13388	8.9
525.53290	2.4
598.92322	2.6
627.20868	14.3
653.22552	12.8
715.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78785	0.8
72.99294	4.3
73.24965	1.0
75.00886	0.8
87.00893	0.9
93.03432	4.8
96.95978	3.8
108.12054	0.8
119.05003	7.5
123.04453	1.0
132.73112	0.8
133.02925	5.0
134.03743	8.7
135.04543	17.7
139.83678	0.9
141.48856	0.8
148.70169	0.9
149.06085	4.0
149.38553	0.9
150.03229	11.9
151.04025	11.3
160.01698	3.7
161.02443	42.5
163.04012	23.5
164.04742	1.6
165.05574	17.5
175.04004	20.8
177.01900	0.9
177.05511	1.5
178.02693	2.0
179.03490	11.2
180.04216	1.7
181.05070	47.5
181.47592	0.9
190.06328	1.1
193.05046	6.8
195.06635	8.1
197.04564	1.1
217.52463	1.0
221.04594	1.0
233.04456	1.4
267.25516	0.9
309.07559	1.0
323.07678	4.8
343.10480	1.1
505.18909	1.9
519.15192	7.4
523.29126	1.1
533.17084	1.1
553.21265	2.2
667.20837	1.5
697.21686	5.9
715.22559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01383	9.8
63.65345	0.6
67.01897	1.3
71.01371	7.2
79.18389	0.6
81.03465	1.4
85.02940	12.2
89.02460	3.0
93.03448	18.4
101.02431	4.4
108.74573	0.8
111.00854	0.8
111.04516	5.7
113.02444	2.7
119.03615	1.0
119.05019	34.0
127.03976	1.6
133.06631	0.7
135.04507	1.4
137.02437	7.9
138.28392	0.7
145.03073	0.9
155.03511	7.0
161.90515	0.8
163.04012	61.2
173.04549	100.0
179.03543	1.2
191.05621	22.5
199.02420	1.1
217.08704	14.7
230.56477	0.8
261.07718	4.1
274.72101	0.8
278.39563	0.8
337.09470	6.9
337.15097	17.2
524.20026	0.9
541.19263	3.9
715.24689	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18454	0.7
53.94020	0.7
56.35406	0.9
58.40533	0.7
59.01375	5.1
71.01372	6.0
73.02942	0.8
73.28305	0.9
85.02941	15.7
93.03445	5.1
101.02411	4.4
111.04500	4.6
113.02423	3.4
119.05014	59.7
155.03516	5.7
163.04013	100.0
173.04561	21.2
173.09676	0.9
180.16614	0.9
191.05624	42.1
217.08698	26.8
261.07614	4.2
285.97723	0.9
306.65454	0.9
337.09244	1.7
338.77115	0.9
449.55487	0.9
715.24640	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
71.01369	1.4
74.24168	0.2
77.64420	0.3
85.02952	1.7
87.00883	0.3
93.03458	1.3
95.32636	0.3
111.04472	0.4
116.92863	0.4
127.03986	1.0
127.41943	0.2
135.04530	8.3
137.02499	0.3
147.04491	0.5
155.03510	0.6
161.02448	3.6
162.21802	0.2
163.03951	0.3
173.04550	4.4
178.62842	0.2
179.01910	0.5
179.03500	16.3
191.05630	100.0
205.05075	1.0
217.03540	0.3
233.08206	2.5
277.07477	0.3
301.67157	0.3
337.09348	0.4
353.08884	2.9
421.45068	0.3
715.24677	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75816	0.9
59.01374	8.0
71.01367	4.7
71.86105	1.0
78.48884	0.9
83.63909	0.9
85.02952	2.0
93.03447	12.2
101.02422	1.6
101.51344	1.0
102.12713	1.0
104.98572	1.0
111.04512	4.8
113.02462	1.2
116.92813	1.2
119.04998	5.1
134.03699	1.1
135.04523	44.3
137.02444	5.8
147.04616	1.0
155.03532	9.8
161.02443	5.6
163.03996	15.3
173.04552	100.0
175.04007	1.4
179.03494	94.6
191.05621	81.6
191.07393	2.3
193.04967	2.3
205.04999	1.3
206.44292	1.2
233.08176	12.0
290.03253	1.2
337.09271	6.0
353.08832	37.6
489.15933	1.5
541.19135	1.8
715.24591	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62212	0.2
54.33085	0.2
61.90107	0.2
70.11411	0.2
70.15705	0.2
85.02950	1.3
93.03460	0.9
101.02435	0.2
127.03955	0.3
135.04483	1.6
154.79018	0.2
161.02443	1.9
173.04524	0.5
179.03493	3.7
191.05618	100.0
199.27919	0.3
208.56271	0.2
331.56400	0.3
353.08807	19.7
715.24701	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37232	0.2
55.15526	0.3
59.01371	1.2
68.25191	0.3
72.99315	0.4
76.38822	0.3
81.10384	0.3
85.02935	0.7
87.00819	0.4
89.81510	0.3
93.03435	1.3
111.04464	0.4
133.04501	0.3
135.04512	2.7
147.04543	2.5
150.83275	0.3
161.02437	3.0
162.03242	0.4
173.04559	1.4
179.03485	5.4
190.02769	0.5
191.05624	100.0
205.05127	0.3
223.06390	0.3
233.08211	0.5
246.71881	0.3
283.06375	0.5
298.08679	0.5
298.46201	0.3
313.10791	0.7
327.05127	0.4
353.08951	0.8
357.09763	0.5
468.11816	0.3
715.24609	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64358	0.2
54.83685	0.3
59.01397	0.4
62.93145	0.2
69.55725	0.3
71.01368	0.6
78.28883	0.3
85.02950	2.3
92.38934	0.4
93.03453	1.7
111.04516	0.3
119.05011	1.6
123.52421	0.3
135.04520	7.5
137.02444	0.4
143.03317	0.3
147.04510	0.7
155.03561	0.5
161.02455	4.2
163.03996	2.0
173.04518	6.4
179.03502	15.0
190.02672	0.4
191.05630	100.0
205.05083	0.5
214.32573	0.3
233.08186	2.2
277.07132	0.3
325.09457	0.4
353.08994	3.6
451.52176	0.3
469.77051	0.3
541.19049	0.3
591.00348	0.4
715.24652	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92632	0.2
56.08998	0.2
59.01379	0.5
63.54990	0.2
65.40923	0.2
71.01381	0.4
85.02942	1.9
89.03221	0.2
93.03456	1.0
96.61103	0.3
96.85130	0.2
104.59397	0.3
105.49622	0.2
111.04551	0.4
116.67327	0.2
127.03996	0.6
129.01865	0.2
133.02916	0.4
135.04521	6.0
147.04562	0.4
155.03531	1.2
161.02417	3.5
161.92802	0.3
169.00656	0.2
173.04596	2.2
179.03491	11.4
191.05629	100.0
199.02428	0.3
205.05115	0.6
217.03505	0.4
233.08194	1.6
289.11911	0.3
321.17096	0.3
353.08838	4.7
455.37335	0.3
715.24628	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10700	0.3
59.01378	0.8
64.66204	0.4
65.88698	0.4
71.01377	1.9
73.02969	0.5
85.02943	2.2
87.00868	0.4
93.03450	0.7
109.02946	0.4
114.08322	0.3
119.90363	0.4
127.03955	0.5
130.82191	0.3
134.10652	0.4
135.04535	10.8
147.04475	0.4
155.03503	0.7
161.02446	4.5
173.04475	3.3
179.03511	24.5
191.05629	100.0
205.05031	0.8
233.08092	2.9
254.03537	0.4
277.07043	0.6
277.15103	0.5
314.32443	0.4
353.08823	4.2
429.14551	0.4
573.54486	0.4
715.24634	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36425	0.4
52.13384	0.6
59.01383	44.1
71.01387	7.6
72.00905	0.8
73.02940	3.4
74.02472	0.9
83.01384	0.6
85.02953	6.6
93.03446	4.7
99.00874	1.1
101.02441	19.0
101.06083	3.7
109.02963	1.0
111.04515	2.1
113.02470	5.4
116.05049	6.2
119.05045	5.1
126.44541	0.7
133.19641	0.5
137.02435	0.8
139.94078	0.5
142.06606	2.5
145.02922	0.6
153.01920	1.3
155.03548	0.9
159.02939	0.9
159.09259	5.8
161.04539	8.4
163.04039	8.7
173.04556	23.3
183.09290	0.9
191.05627	36.6
203.08284	100.0
217.08720	1.1
234.89572	0.6
241.07170	0.8
245.09581	0.9
251.93776	0.6
261.07635	0.7
263.11401	6.2
275.10397	20.4
297.31143	0.5
305.12463	29.6
317.11435	1.0
337.09241	0.7
365.13608	17.5
514.71722	0.7
715.24719	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
61.07750	0.6
62.76524	0.6
63.94483	0.6
67.82511	0.6
71.01376	1.2
71.80878	0.7
74.41044	0.7
99.98494	0.9
101.02455	1.4
116.67424	0.7
117.03432	1.3
123.04472	1.1
132.02208	2.7
133.02913	1.4
134.03743	25.7
136.01695	0.8
136.14659	0.8
147.04482	0.8
149.06059	5.0
150.03229	14.6
160.01654	46.4
161.02415	9.3
163.92970	0.7
164.04829	1.0
165.05550	16.1
175.04001	100.0
178.02654	1.1
179.03493	0.9
180.04248	1.1
181.08691	1.7
191.07188	0.8
192.04231	0.9
193.05057	27.1
207.06543	1.2
247.09749	0.7
302.89215	0.8
329.13953	1.4
539.21521	1.7
573.19720	1.6
667.23944	12.9
697.25146	13.7
715.26099	74.7
722.52740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52278	0.6
57.70140	0.5
59.01376	1.0
60.99308	1.0
64.71880	0.6
67.01895	0.8
68.46094	0.6
71.01391	1.1
71.75925	0.6
76.91540	0.6
87.00885	6.6
93.03449	23.6
111.04488	5.1
134.03743	2.7
134.46443	0.7
149.02454	1.4
173.04552	11.3
179.03539	0.9
191.05632	100.0
193.05074	8.5
197.04564	2.8
201.95918	0.9
206.51331	0.7
244.29874	0.8
265.83868	0.7
367.10370	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52278	0.6
57.70140	0.5
59.01376	1.0
60.99308	1.0
64.71880	0.6
67.01895	0.8
68.46094	0.6
71.01391	1.1
71.75925	0.6
76.91540	0.6
87.00885	6.6
93.03449	23.6
111.04488	5.1
134.03743	2.7
134.46443	0.7
149.02454	1.4
173.04552	11.3
179.03539	0.9
191.05632	100.0
193.05074	8.5
197.04564	2.8
201.95918	0.9
206.51331	0.7
244.29874	0.8
265.83868	0.7
367.10370	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59524	0.7
59.01377	5.7
71.01378	2.0
73.02934	1.7
98.26369	0.9
101.02448	2.0
101.48991	0.8
147.04518	5.0
149.02441	37.1
164.04796	100.0
179.07159	11.0
185.32886	0.9
190.02745	10.1
205.05089	11.9
208.03845	1.4
223.06134	84.6
286.87933	0.8
291.18167	1.5
369.10068	1.0
387.07581	0.9
569.68134	1.0
671.29352	38.5
692.69476	0.9
715.37177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97814	1.3
55.01904	1.8
59.01383	100.0
67.25423	1.4
71.01382	44.9
73.02950	9.8
83.01392	2.7
83.57802	1.5
85.02956	18.4
87.00866	2.5
89.02441	44.4
95.01375	3.7
96.96000	1.8
99.00889	17.0
101.02451	36.9
111.00896	1.9
112.01661	2.2
113.02453	35.8
119.03495	14.3
124.01719	2.7
125.02387	3.7
134.08101	1.9
143.03505	2.8
149.04558	2.4
161.04634	1.8
161.13371	22.7
163.03896	2.1
172.17145	1.6
187.11311	4.1
191.05603	3.4
205.12341	60.7
332.68127	1.7
361.15091	2.2
379.16193	13.7
415.27777	1.7
485.67328	1.8
567.28339	3.0
611.34851	43.8
629.35876	30.5
671.28925	66.3
671.37115	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43595	2.7
55.35213	2.6
59.01379	40.5
71.01370	5.6
71.77233	3.0
89.02437	16.0
91.17795	3.1
99.00875	13.2
101.02441	6.9
110.86338	2.9
113.02464	6.3
119.03510	5.4
125.01540	3.1
135.04474	3.4
148.22023	3.3
150.06900	4.3
161.02435	6.2
161.13387	32.2
187.11261	12.4
191.05614	5.8
205.12367	60.0
283.06146	3.5
339.59778	3.9
361.15320	4.8
379.16119	21.4
567.28424	5.9
611.27063	13.2
671.29089	100.0
740.67780	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.8
59.74067	0.8
64.42921	1.0
64.69219	0.9
71.01382	7.9
80.95694	1.0
89.02438	13.5
92.23088	1.5
101.02448	8.1
113.02428	4.9
119.03471	6.3
127.73923	1.1
147.04520	84.6
165.05577	12.1
212.28194	1.0
267.98120	1.1
316.16299	1.1
327.10886	100.0
669.33978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03469	0.8
59.01104	1.4
59.01385	33.5
71.01378	24.2
73.02951	7.9
83.01378	1.1
85.02945	8.4
85.20892	0.6
87.00867	1.7
89.02441	35.5
95.01376	1.0
99.00867	1.2
101.02443	31.8
113.02451	18.5
119.03481	13.1
119.04258	1.0
125.02485	1.1
131.03490	3.9
134.03679	0.8
143.03529	1.5
145.50096	0.7
149.04495	0.7
161.04568	9.2
179.05598	5.1
187.01064	0.9
218.69781	0.7
221.06693	7.1
234.74162	0.7
373.89792	0.8
439.87033	0.7
655.33466	100.0
715.25342	1.0
715.35925	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54693	1.4
55.36491	1.2
56.32914	1.4
56.52150	1.1
56.86843	1.2
59.01383	76.9
61.89134	1.1
65.01516	1.2
71.01382	39.2
73.02937	8.0
82.23327	1.4
83.01373	2.4
85.02934	12.1
87.00853	1.9
89.02436	35.7
95.01393	3.0
97.02981	1.7
99.00885	3.1
100.54813	1.5
101.02441	36.2
111.00850	2.5
112.01633	1.7
113.02451	39.7
115.85680	1.5
119.03493	14.4
121.33748	1.4
124.01632	1.6
125.02451	3.5
131.03571	1.9
137.07675	1.4
161.04500	2.3
161.13315	2.0
164.43008	1.7
205.12321	6.1
214.39809	1.5
283.06058	1.7
331.52319	1.6
611.34601	49.5
629.35846	36.2
671.37146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.5
59.01384	31.6
71.01379	21.0
72.99308	1.0
73.02939	7.5
73.62819	1.0
83.01373	3.5
84.34789	0.8
85.02947	6.9
89.02438	21.8
95.01398	1.7
97.02932	1.7
99.89175	1.0
101.02446	22.6
113.02450	14.1
116.92838	2.3
119.03487	9.1
161.04558	4.0
269.13922	1.5
372.35919	0.9
655.33496	100.0
700.66498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41378	2.7
52.20565	2.3
57.41891	2.5
59.01384	75.1
59.45599	3.1
62.77575	2.9
65.80661	3.0
71.01376	37.5
75.06606	3.7
85.02943	12.1
86.22593	2.9
89.02433	35.8
101.02442	39.5
108.60806	3.5
113.02439	42.5
115.82254	3.0
119.03500	15.1
132.00795	3.5
143.93463	3.1
180.21745	3.2
195.69278	3.5
199.25790	3.1
375.90701	3.7
384.23907	3.4
599.26147	3.9
611.34406	39.2
629.35339	33.1
671.36908	100.0
715.39435	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77038	1.0
53.48083	1.0
57.21237	1.1
59.01383	100.0
60.98844	1.1
71.01377	22.2
73.02950	2.2
85.02956	7.0
86.61397	1.3
89.02442	32.1
92.23080	1.6
95.01396	1.6
96.62941	1.2
101.02456	17.5
113.02436	14.0
119.03526	10.9
151.37068	1.7
161.04572	5.9
166.60310	1.1
171.10216	2.4
179.05627	8.6
362.50241	1.6
391.23480	7.8
493.28384	1.6
508.32742	1.4
538.37305	1.5
553.28870	6.6
565.30231	2.0
644.31500	1.5
655.33478	93.8
715.35999	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
61.98817	0.8
70.95744	0.8
71.01379	1.3
74.97534	0.8
83.74214	0.8
88.75094	0.8
89.02441	1.2
99.00800	0.8
101.02411	1.0
152.99583	0.9
160.68887	0.7
182.11139	0.8
277.21747	1.1
281.24875	10.5
397.13443	7.3
398.85031	0.9
415.14572	1.6
440.47440	1.0
482.63101	0.8
679.39124	8.1
715.36835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32311	2.1
59.01380	19.6
59.64228	1.7
61.98824	4.7
63.78253	2.0
70.83612	1.7
71.01365	2.5
78.95896	2.4
85.95490	2.0
89.02454	3.2
93.22189	2.3
94.79958	2.1
94.91758	2.1
101.02460	8.6
103.15732	2.0
113.02462	4.1
129.09268	4.2
161.04543	4.0
164.51630	2.1
171.10226	2.8
175.59389	2.4
181.12329	9.5
183.13866	3.2
197.11858	16.4
199.13420	12.5
211.13412	30.6
233.17404	2.5
263.11377	57.8
266.96439	2.3
293.21359	27.1
311.22308	100.0
409.26071	22.7
459.44437	2.7
498.78046	2.5
603.89844	2.7
680.93402	2.5
715.36517	2.8
723.41022	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77971	0.3
69.75824	0.4
71.17754	0.4
93.03454	0.6
107.48456	0.4
111.04511	0.5
119.05020	30.6
123.01577	0.4
137.02481	0.3
155.03479	2.8
155.63791	0.4
163.04012	100.0
173.04573	3.1
191.05626	9.6
298.57928	0.4
319.90302	0.5
337.09335	43.2
432.97189	0.4
708.79456	0.5
716.24176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30577	55.5
50.81754	60.5
54.62754	71.5
59.01412	100.0
83.96495	68.0
92.94706	71.0
116.66976	76.7
458.12628	87.8
534.25519	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63302	1.3
63.12266	1.5
64.70932	1.6
72.98930	3.3
72.99300	42.7
79.90084	1.5
93.08629	1.5
123.04520	1.6
139.04001	37.2
151.04004	7.3
174.47372	2.6
195.02995	32.7
197.04535	3.0
211.06097	2.3
213.04051	64.9
301.09271	9.6
310.10886	25.3
325.13223	82.3
340.15561	67.8
375.09320	100.0
622.50629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01013	0.5
68.61044	0.5
68.75566	0.5
70.27911	0.6
72.99309	9.5
123.04517	2.4
135.04532	2.3
147.46106	0.6
172.25760	0.6
173.24321	0.5
179.03494	9.5
197.04582	31.8
241.33400	0.5
255.06628	1.2
268.03793	0.7
283.06296	4.8
308.09259	3.2
323.11646	9.4
326.06812	1.1
326.10379	19.2
338.14139	2.2
341.12726	81.9
342.13556	1.0
356.15091	100.0
359.09875	21.3
374.05887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87869	1.7
72.89109	1.8
77.09870	1.9
91.95478	2.0
108.82885	1.9
122.03719	4.5
123.04556	2.5
136.01643	17.5
149.02448	20.5
150.03218	85.5
151.04024	34.0
162.06844	2.2
163.04012	2.7
164.04752	7.8
165.05551	100.0
176.08403	4.3
180.04250	8.4
195.06609	16.9
228.08954	2.3
255.16107	1.9
295.09726	2.7
313.10831	3.9
325.10663	2.8
326.11581	11.5
327.12424	7.4
328.11899	10.5
357.13739	2.6
440.11465	7.8
455.13666	4.8
456.14679	4.1
459.13339	11.5
460.14081	23.1
461.16171	3.0
470.16071	3.4
472.14047	31.0
474.16220	20.5
475.16635	11.1
487.16547	12.6
489.18008	9.3
490.18372	9.0
502.18863	18.8
505.18826	4.4
535.19922	9.1
574.20972	2.7
582.93439	2.2
638.24146	3.7
650.24115	3.8
661.60767	2.3
668.25146	55.5
680.25568	3.5
686.26141	10.5
698.26257	30.2
716.27142	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89870	0.7
73.02905	0.7
84.62888	0.7
108.50537	0.7
117.59621	0.8
138.53210	0.7
245.19142	1.4
270.98260	0.9
273.18634	0.8
335.18280	0.7
337.20242	47.0
337.24429	1.5
379.18146	0.7
381.19226	100.0
539.87268	0.8
716.30963	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98833	100.0
71.01381	1.1
72.36829	0.4
89.02436	1.0
90.02792	0.5
101.02460	0.9
109.71336	0.5
142.67749	0.5
255.23376	2.8
256.23639	3.6
257.24136	1.8
398.13959	1.9
399.14124	2.6
400.14655	1.1
656.38800	3.0
704.93683	0.6
716.37720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38208	0.5
61.98834	100.0
130.23944	0.7
239.37967	0.7
251.95444	0.8
255.23259	1.4
256.23700	1.4
286.06662	0.6
307.49298	0.6
399.14047	0.9
400.14404	0.6
540.88397	0.7
592.92535	0.7
593.03448	0.7
656.38715	1.2
716.35724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
67.78130	0.6
71.52758	0.6
76.04981	0.7
81.03462	3.1
83.05025	1.5
93.03452	3.3
109.02906	1.2
111.04514	38.9
119.05021	0.7
127.04008	100.0
135.04459	0.9
137.02454	6.2
155.03503	76.7
163.03989	6.1
172.97786	0.6
173.04507	5.2
179.03500	2.9
191.05635	1.5
199.02496	59.7
200.80911	0.7
213.53145	0.6
214.92715	0.7
217.03561	1.0
251.18776	0.8
251.35115	0.7
254.51556	0.8
353.08743	3.6
363.07288	38.5
363.11591	1.4
458.06180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72108	1.0
56.65247	1.0
59.01390	1.5
63.12285	0.9
64.91824	0.9
67.42647	0.9
70.25018	1.0
82.48497	1.1
83.05033	1.0
84.49485	1.0
93.03439	4.4
105.68207	1.1
108.14301	1.2
111.04505	39.7
119.05033	1.8
127.04002	100.0
136.14401	1.1
137.02451	5.2
141.65469	1.0
150.39282	1.0
155.03506	75.7
163.04030	10.8
173.04543	12.8
179.03531	1.8
191.05624	1.5
193.04971	1.5
199.02498	70.1
217.03561	1.2
241.46457	1.2
298.34012	1.2
337.09314	7.1
353.08994	2.5
363.07242	47.7
461.90735	1.3
732.59595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65854	0.6
59.01379	1.5
74.19669	0.8
81.03435	1.3
93.03441	1.2
104.21275	1.1
109.02955	1.3
111.04511	41.6
111.05283	1.6
119.05053	2.0
127.04008	100.0
134.73132	0.7
135.04517	1.2
137.02448	7.7
155.03508	78.3
163.03999	5.0
165.94617	0.8
173.04543	6.0
179.03485	2.0
191.05630	8.7
199.02495	59.4
217.03429	1.0
349.84491	0.8
353.08859	1.4
363.07248	38.5
363.11658	1.8
370.16678	0.8
406.60980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20073	0.6
50.59654	0.7
57.37945	0.6
59.01380	1.4
61.20505	0.6
69.90192	0.5
71.01374	1.0
74.88843	1.0
81.03463	2.9
83.05025	3.4
89.75922	0.7
92.22504	1.0
92.38335	0.8
93.03458	3.7
95.57081	0.6
108.02164	1.0
109.02960	1.6
111.04511	41.7
111.05284	1.5
119.05020	3.9
120.05297	0.9
127.04009	100.0
135.04506	1.4
137.02423	9.7
155.03502	75.4
163.04022	9.7
173.04549	20.1
174.04889	3.4
179.03537	3.6
191.05608	3.6
193.05064	0.7
199.02498	69.0
217.03467	1.4
255.10321	9.3
287.10413	1.5
337.09402	4.9
338.09723	3.1
343.08270	6.7
350.37268	0.7
353.08820	4.1
363.07297	41.6
363.11966	4.2
540.04211	0.8
563.06140	0.9
717.24823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.14582	0.2
59.80595	0.2
60.36604	0.2
63.31340	0.2
72.20322	0.2
72.99324	0.5
79.95743	1.5
89.02451	0.3
93.03464	1.0
96.96004	100.0
102.14647	0.2
108.03516	0.2
113.65435	0.2
134.03806	0.3
137.02417	2.2
150.03236	1.5
164.04738	0.3
165.05579	2.1
175.07666	0.5
177.05501	0.3
178.06418	0.3
182.42302	0.2
193.05026	1.1
195.06654	0.4
216.04990	0.3
231.53194	0.3
329.13971	0.9
459.18597	0.2
477.19037	1.9
503.55020	0.3
525.21753	1.8
555.22327	3.2
717.28076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60025	1.1
54.74580	1.4
57.05037	1.4
59.01383	5.9
71.01347	1.4
72.99306	100.0
79.15836	1.4
90.49758	1.5
101.02425	1.6
115.03996	1.8
123.04513	28.2
135.04536	35.4
151.03955	2.0
153.00615	1.4
160.49989	1.5
165.05496	3.1
179.03516	97.2
197.04573	97.8
239.96312	1.6
246.18341	1.5
341.08591	1.9
382.60718	1.7
403.57184	1.5
457.13498	5.6
511.92838	1.8
555.22644	2.5
619.09003	3.0
619.18793	57.6
717.22522	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60025	1.1
54.74580	1.4
57.05037	1.4
59.01383	5.9
71.01347	1.4
72.99306	100.0
79.15836	1.4
90.49758	1.5
101.02425	1.6
115.03996	1.8
123.04513	28.2
135.04536	35.4
151.03955	2.0
153.00615	1.4
160.49989	1.5
165.05496	3.1
179.03516	97.2
197.04573	97.8
239.96312	1.6
246.18341	1.5
341.08591	1.9
382.60718	1.7
403.57184	1.5
457.13498	5.6
511.92838	1.8
555.22644	2.5
619.09003	3.0
619.18793	57.6
717.22522	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72717	1.8
58.46544	1.8
59.01380	13.9
71.01387	11.2
81.50900	1.9
84.81606	1.9
89.02452	3.9
89.42693	2.0
101.02420	10.3
105.28030	2.3
113.02429	5.2
120.01258	2.9
123.04507	5.0
134.03711	17.1
135.04526	17.8
142.41869	2.1
147.04439	2.4
149.02417	9.6
149.06062	4.8
150.03220	37.9
151.03981	3.6
153.05598	3.6
163.04056	2.9
164.04828	15.2
165.05557	59.7
175.00391	3.8
176.01135	19.9
177.01938	2.8
179.07185	7.9
180.04327	4.9
190.02725	38.7
191.03551	68.7
193.05107	9.9
195.06667	10.7
205.05084	96.5
207.06451	2.6
208.03743	3.3
209.04620	14.6
221.08334	2.9
223.06169	10.7
255.06604	2.5
256.07388	4.1
265.07132	8.2
270.09048	3.3
271.09772	10.5
301.10834	3.4
311.07660	3.2
321.15488	2.4
439.52945	2.4
506.14072	3.0
519.15161	13.1
521.16656	100.0
575.17761	13.5
669.22168	13.5
717.24231	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26981	0.4
59.01378	2.0
67.01894	4.6
70.00566	0.4
71.01402	0.7
72.99305	0.8
85.02959	0.6
87.51521	0.5
111.00874	100.0
119.28960	0.5
126.81982	0.5
134.78761	0.5
148.58154	0.5
177.34998	0.5
179.23146	0.5
191.05688	0.5
371.15485	0.5
375.81491	0.5
639.88477	0.6
673.33606	0.7
717.35522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47818	0.3
55.41705	0.3
58.86102	0.3
60.07080	0.2
66.70779	0.3
70.40771	0.3
71.24916	0.3
87.28620	0.3
90.44325	0.4
99.05650	0.3
113.02447	5.0
119.05024	0.3
121.02943	0.3
122.87828	0.3
134.03735	22.2
136.42566	0.3
137.02460	1.6
137.94031	0.3
139.03984	0.4
149.04887	0.8
149.06078	22.0
178.02722	32.1
191.05647	1.5
193.05069	100.0
239.64223	0.3
261.07712	1.2
277.06277	0.3
355.10394	36.9
435.13226	0.5
703.76331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20177	0.2
55.54084	0.2
57.03453	0.3
59.01376	0.8
60.99318	0.2
61.80767	0.2
65.74094	0.2
67.01891	1.2
68.04929	0.2
68.08976	0.2
71.01369	1.4
73.06993	0.2
74.05527	0.2
76.40999	0.2
79.05721	0.2
80.23656	0.2
81.03404	0.3
83.05029	0.4
85.02937	0.4
92.23023	0.3
93.03452	8.1
95.37667	0.2
109.02898	0.4
111.00910	0.3
111.04510	3.6
119.05019	7.2
127.03996	0.9
137.02464	3.5
155.03508	4.8
157.36000	0.3
163.04013	21.5
173.04552	100.0
174.04878	0.4
175.03972	0.5
186.23270	0.2
191.05624	2.4
193.05101	0.2
204.04291	0.2
219.06528	0.5
253.87933	0.2
269.89603	0.2
275.33536	0.2
317.95593	0.2
330.70053	0.2
337.09348	43.0
338.09857	0.3
439.16110	0.3
537.20081	0.3
630.88306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.2
70.29203	1.0
71.01369	7.7
71.44319	1.0
72.99300	11.2
84.66441	1.0
85.02923	1.9
89.02439	9.3
89.78552	1.0
99.00859	4.9
101.02402	5.3
113.02420	7.9
119.03484	1.3
121.02906	1.4
123.04468	1.9
123.84500	0.9
131.03494	1.1
135.04524	1.4
139.75230	1.1
147.04462	5.9
149.02431	32.4
156.69290	1.2
164.04791	100.0
179.03580	9.0
179.05711	1.1
179.07124	7.5
190.02759	10.5
191.05559	2.7
197.04619	11.2
205.05096	12.7
206.34164	1.1
208.03743	7.9
223.06120	80.2
225.40736	1.2
229.14424	4.6
243.28625	1.1
325.56375	1.3
333.20868	14.3
353.57788	1.1
418.75015	1.1
493.19031	1.6
495.25745	2.6
537.22705	1.6
650.07977	1.3
657.30768	6.7
717.26337	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39811	1.8
56.50386	2.0
63.76586	1.9
74.18333	2.2
84.88976	2.2
106.58798	2.2
112.90697	2.2
117.59268	2.2
122.03715	2.7
132.02206	2.3
133.02942	9.6
147.04480	10.1
149.02414	9.4
149.06067	12.0
150.03214	55.4
160.05206	2.8
162.03326	2.4
164.04814	10.9
165.05550	65.2
175.07661	20.5
176.04709	4.8
177.05536	10.2
178.06364	14.4
180.04233	3.5
192.07942	13.1
195.06573	13.2
285.11679	2.9
315.12357	5.3
329.13947	42.7
432.15765	3.5
444.15958	3.4
447.18311	26.9
459.18295	9.7
477.19250	100.0
507.20370	16.6
525.21423	46.2
529.37372	2.7
555.22461	63.7
669.25604	10.1
717.27899	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	65.5
71.01381	31.4
72.32913	1.2
85.02937	6.6
89.02437	38.9
89.30663	1.2
93.03454	11.4
101.02438	15.9
113.02468	13.8
114.36247	1.2
119.03483	16.4
121.03018	1.4
137.02443	35.3
149.02409	12.7
150.03221	22.1
161.04628	2.1
164.04829	4.9
165.05556	33.1
171.93362	1.3
179.05618	11.3
180.04314	2.2
193.04985	1.9
195.06631	2.8
208.51680	1.3
212.50157	1.3
222.30760	1.3
288.68179	1.3
296.10413	1.4
311.09470	9.2
326.11597	20.8
341.14014	14.8
474.16898	5.5
489.19263	14.5
537.21503	5.2
642.30499	1.3
669.25543	2.9
717.27771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	61.4
71.01376	29.2
72.14526	1.0
72.99303	1.5
85.02946	2.5
89.02436	40.5
95.01360	2.7
96.96012	2.3
101.02441	22.9
103.78263	1.3
113.02433	15.2
119.03490	16.8
132.54381	1.6
149.02403	4.9
149.06082	2.3
150.03241	27.1
159.04489	2.0
160.05312	1.6
161.04558	1.7
161.06026	1.5
164.04813	3.1
165.05557	33.8
178.02553	1.3
179.05649	8.8
180.04315	1.4
189.05573	6.5
190.06497	3.2
195.06662	5.5
204.07953	8.6
205.08713	5.5
248.30646	1.4
296.10178	1.5
341.13916	1.9
444.15857	1.8
459.18271	7.7
477.19135	2.1
489.19287	10.8
516.20038	1.5
537.21320	5.7
555.22186	2.4
669.25464	30.8
717.27765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.9
71.01392	9.5
74.99099	17.3
77.28381	1.8
89.02442	9.5
101.02458	5.0
115.89729	2.2
118.98079	100.0
173.02402	4.2
237.07449	2.1
290.77078	1.9
314.54065	1.9
324.13708	2.2
400.76581	2.2
443.15662	4.8
517.31726	2.7
522.59711	2.1
679.37152	11.1
681.37244	2.3
717.27765	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56245	0.8
60.72157	0.9
62.59439	0.8
63.92657	0.9
78.95904	1.7
99.92574	2.1
110.87884	1.0
116.92850	100.0
140.59337	1.1
141.26392	0.9
152.48694	1.0
152.99709	1.0
185.26733	1.0
219.56982	1.4
250.41649	1.0
255.23279	4.4
262.32758	1.0
376.68784	1.0
717.44971	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
62.29948	0.2
62.90051	0.2
65.33698	0.1
67.48335	0.1
69.30497	0.1
71.01369	0.9
75.62053	0.1
77.59579	0.1
89.02422	0.9
93.03454	25.9
96.96011	3.6
101.02455	0.4
111.04538	0.6
127.04002	0.9
137.02448	100.0
138.02835	0.7
150.03246	0.8
155.03505	0.3
157.63971	0.2
165.05545	1.2
171.64761	0.2
179.05626	0.3
184.09866	0.2
191.05635	0.2
199.02585	0.7
258.25861	0.2
326.11584	0.4
416.88687	0.2
436.03815	0.2
517.17413	0.3
579.29938	0.3
692.74457	0.2
696.73785	0.2
717.27429	1.4
739.69940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04245	0.4
57.69436	0.3
59.01377	6.2
71.01355	2.4
76.89043	0.4
85.02928	0.8
89.02438	0.4
101.02442	3.4
104.96519	0.4
112.58474	0.3
113.02431	1.7
127.11211	0.5
152.01192	0.8
161.04543	0.5
164.04811	1.7
168.82750	0.4
173.11824	32.8
179.07149	1.6
197.04652	0.7
205.05095	1.6
208.72893	0.4
229.14455	1.6
297.09756	3.8
357.54068	0.4
469.17303	1.8
495.26044	100.0
519.26367	0.8
537.26764	0.8
543.21063	0.7
657.31512	9.4
717.21851	0.5
717.33954	0.8
742.81818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03231	0.2
57.99470	0.3
59.01382	0.4
63.41818	0.3
68.80822	0.3
71.01354	0.3
71.43121	0.2
89.02431	0.4
92.23110	0.4
93.03448	28.4
96.96014	1.9
126.00279	0.3
137.02438	100.0
150.03229	0.4
184.09846	0.3
191.05623	0.3
474.17920	0.3
506.67505	0.3
717.27521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
63.52225	0.3
71.01383	2.7
72.74480	0.4
73.35122	0.3
73.35539	0.3
81.72166	0.3
82.01700	0.4
83.01373	0.4
85.02936	0.5
89.02450	1.7
101.02444	4.4
113.02434	1.5
123.04431	0.5
134.03738	0.6
150.03236	0.5
161.04503	0.6
164.04770	1.3
165.05530	0.9
165.32709	0.4
174.78281	0.4
179.07111	0.4
190.02733	0.6
191.03539	1.4
193.05089	0.6
205.04988	0.7
223.06023	0.5
229.14394	0.4
333.20825	0.5
391.23035	0.4
429.73306	0.4
495.26035	100.0
521.16370	2.2
537.27161	0.9
657.31213	7.5
687.63562	0.4
717.24512	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59469	0.8
61.03141	0.8
64.35195	1.3
72.18499	1.0
72.99303	93.3
77.31155	0.9
78.95884	1.3
90.63431	1.2
100.51954	1.0
107.04983	1.0
109.02918	1.7
116.92792	1.1
123.04514	30.6
125.88489	1.0
135.04520	52.0
151.03923	1.5
152.99672	1.5
166.28267	1.2
179.03502	90.1
189.21938	1.2
193.71315	1.1
196.10597	1.1
197.04568	99.7
277.21692	4.7
300.54462	1.3
322.39786	1.1
342.53091	1.2
346.31100	1.1
439.12305	4.4
574.42163	1.3
717.34924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25908	1.2
54.21448	1.1
55.79571	1.1
59.01383	100.0
59.82822	1.1
60.20651	1.1
65.47353	1.3
71.01376	28.4
72.70684	1.2
73.02938	11.5
81.29736	1.3
83.01387	6.3
85.02951	14.0
86.00078	1.8
87.00874	2.0
89.02425	2.0
99.00881	3.0
101.02432	27.8
113.02443	19.1
119.29076	1.8
120.01244	8.3
159.02954	3.2
161.04573	9.4
164.04816	6.3
165.05569	2.5
166.38478	1.4
188.54504	1.4
223.06073	2.3
255.06473	2.2
270.08951	3.0
271.09610	1.7
298.36285	1.9
327.11884	1.4
333.24353	2.6
340.03513	1.5
495.29749	26.2
567.31738	11.0
657.35022	57.3
717.26019	8.9
717.37262	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55020	1.1
55.01886	1.9
55.31601	1.2
57.03448	1.5
57.66068	1.1
59.01386	22.7
70.07623	1.1
71.01383	26.2
73.02938	11.4
83.01376	4.7
83.01854	1.2
85.02943	13.8
89.02438	9.3
95.01374	2.1
99.00867	1.5
101.02442	32.0
113.02428	15.5
119.03467	2.0
125.02459	1.6
161.04562	7.3
163.04109	1.4
169.48938	1.5
185.11835	1.9
191.05652	1.2
333.24292	2.4
495.29883	6.1
576.26593	1.3
657.35071	100.0
717.36755	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66386	3.5
54.05989	3.8
59.01365	6.6
61.59092	3.4
64.34633	3.8
77.47220	4.0
87.14678	4.5
100.67975	4.2
109.32293	4.5
120.92561	5.2
231.07683	10.3
244.50706	4.8
247.07272	17.3
257.05740	8.7
285.08856	7.1
297.51514	4.4
311.06863	10.2
326.96152	4.3
333.07434	5.3
351.08279	8.0
536.07324	5.0
613.38379	4.8
717.39575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58793	1.6
90.71506	1.8
96.23804	1.9
113.14945	1.8
167.98619	1.7
231.07794	7.2
247.07240	36.8
257.05664	12.0
273.05246	2.4
274.34183	2.1
285.08813	4.1
289.08304	4.8
291.06250	2.2
301.08459	3.3
307.09256	4.7
343.09238	2.2
520.26410	3.4
543.30127	2.1
613.38348	11.9
717.39557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
65.06333	0.6
66.11910	0.7
71.01379	0.7
85.02950	4.8
87.67184	0.7
95.20449	0.8
97.06591	4.4
99.00882	0.6
99.08153	1.6
116.07150	0.8
119.05000	0.7
121.10091	0.8
127.11208	0.7
130.08737	1.0
137.65962	0.6
139.11311	1.3
143.07133	3.8
149.09702	2.8
155.10796	8.3
163.03995	1.2
165.05542	1.0
175.36011	0.6
175.37883	0.7
181.08649	1.1
182.08261	1.5
183.10257	23.0
193.08708	1.5
201.11348	12.2
205.05011	1.3
211.09755	1.0
263.16516	3.2
266.35437	0.6
270.08694	0.7
271.31390	0.8
281.17670	0.8
299.18692	100.0
333.25494	0.7
341.06516	0.6
358.13776	0.7
717.24805	1.4
748.31342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
62.05696	0.2
87.47659	0.3
105.68500	0.2
113.02414	0.3
126.88760	0.2
182.42398	0.2
207.40726	0.3
267.06064	0.3
268.03796	26.0
269.04288	0.3
283.06146	100.0
284.06406	1.7
434.34644	0.3
630.59686	0.2
659.11035	0.3
675.19373	2.8
698.38086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62602	0.5
59.01368	0.9
60.99306	1.1
61.86036	0.6
62.08960	0.7
66.66029	0.6
67.01891	1.4
71.01369	0.8
85.02930	0.8
87.00880	5.6
93.03452	23.0
111.04503	4.5
129.06105	0.6
134.03705	4.4
135.97090	0.7
155.03473	0.9
163.92079	0.7
173.04535	15.8
175.03955	0.8
191.05626	100.0
193.05029	9.1
367.10364	48.7
367.15149	1.2
385.59903	0.7
540.43024	0.7
610.99646	0.9
718.25024	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64624	0.4
57.43719	0.4
60.99305	0.8
67.01880	2.6
70.35119	0.5
71.01363	0.6
78.43301	0.6
79.69681	0.4
87.00869	4.9
93.03443	21.4
99.00904	0.6
107.54573	0.5
111.04521	4.6
129.01888	0.8
134.03743	3.1
155.03465	1.2
173.04539	10.6
175.04033	0.6
191.05621	100.0
192.57152	0.5
193.05069	10.5
198.04761	0.5
260.29309	0.5
304.57074	0.6
367.10345	50.8
714.72742	0.6
718.25604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99927	0.6
59.00540	0.6
59.01381	0.9
63.76226	0.7
67.01872	1.4
71.01371	1.2
77.49677	0.6
89.72414	0.8
93.03444	20.3
111.04509	7.3
117.03458	1.7
124.62469	0.8
134.03746	26.1
137.02420	9.1
149.06107	6.3
150.03204	1.3
155.03513	7.2
155.65617	0.8
156.12180	0.8
165.05536	5.2
173.04555	100.0
178.02707	1.2
191.05627	3.2
193.05066	25.3
195.55061	0.8
196.49678	0.7
292.22919	0.7
367.10388	24.6
377.24533	0.8
431.34686	1.0
524.19049	5.6
526.21539	1.2
556.22522	1.1
718.25189	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62042	0.8
54.23146	0.7
56.28456	0.7
60.99303	1.0
61.91351	0.9
67.01895	2.3
69.03447	0.9
87.00877	6.4
93.03448	27.9
97.71497	1.2
101.00890	0.9
111.04509	6.7
113.02448	0.9
124.38268	0.9
134.03732	6.2
137.02412	4.1
149.06134	2.3
150.03217	2.0
155.03477	1.8
161.38075	1.0
165.05562	1.9
173.04556	30.5
191.05623	100.0
193.05016	10.2
264.58661	0.9
274.75986	1.1
367.10373	59.8
478.19409	4.0
526.21692	1.2
556.23108	2.3
561.54700	1.1
718.25421	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73186	0.6
56.36120	0.7
59.01389	7.9
64.51845	0.8
64.64201	0.7
64.90939	0.7
65.60932	0.7
93.94812	0.7
99.00850	1.4
112.32195	0.7
113.02438	19.9
125.09722	1.0
130.75999	0.8
133.40190	0.7
139.11305	7.3
156.04051	0.7
163.11327	3.1
181.12347	31.4
183.10260	11.3
187.47556	0.7
193.57909	0.9
199.13428	4.6
201.11337	8.5
207.10234	16.6
215.12935	1.2
225.11339	95.7
243.12375	100.0
474.12497	6.6
573.21082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	32.3
59.34223	3.2
61.98826	39.4
71.01375	18.9
87.00900	3.5
89.02434	28.7
101.02431	20.5
106.96008	3.6
113.02448	20.5
126.57412	3.4
235.08130	5.4
277.21765	79.2
287.07852	4.4
397.13528	100.0
415.14590	19.4
675.35950	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15836	1.1
58.30600	1.1
59.01384	33.7
61.98830	7.6
71.01374	20.9
72.99286	1.3
73.02938	2.2
76.40587	1.3
81.67852	1.3
85.02951	2.2
87.00854	3.0
89.02434	29.8
90.48987	1.1
92.22572	2.1
97.02938	2.7
101.02440	23.1
107.68930	1.4
113.02479	9.8
115.16897	1.1
119.03472	6.1
125.02437	7.9
133.55737	1.4
136.02515	1.2
143.03493	2.2
161.04575	2.7
169.05063	1.4
179.05537	2.0
221.15358	1.5
232.78900	1.3
235.08215	5.9
248.61914	1.3
277.21747	93.5
287.07724	1.4
397.13541	100.0
415.14661	23.4
501.78564	1.2
675.36041	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98892	0.9
72.99303	27.2
74.01191	0.5
78.86285	0.5
78.97002	0.5
115.89356	0.5
123.04508	5.7
135.04530	7.3
156.74121	0.7
179.01932	1.0
179.03508	33.9
197.04575	100.0
221.19757	0.6
222.65204	0.5
298.33942	0.6
359.09894	95.1
386.60715	0.6
391.62677	0.6
440.13605	0.8
482.14163	0.6
601.13922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.205
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49778	0.4
72.99303	28.2
73.94723	0.4
123.04506	5.4
135.04521	7.3
179.01921	1.1
179.03503	33.8
197.04570	100.0
337.22601	0.5
359.09888	76.5
368.84674	0.5
523.70184	0.5
526.58789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97924	0.3
54.92765	0.3
62.96159	0.4
63.84244	0.4
64.05889	0.3
65.21349	0.3
72.99305	26.8
73.67007	0.3
74.55132	0.3
123.04513	6.9
135.04539	6.3
179.03503	32.0
197.04572	100.0
211.90656	0.4
237.89537	0.5
274.51218	0.4
303.89874	0.4
350.32959	0.4
359.09897	64.8
433.47723	0.4
572.85437	0.4
579.54742	0.4
651.65576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70173	0.4
56.83559	0.5
72.99308	26.5
85.95643	0.5
95.02123	0.5
98.06027	0.5
108.92325	0.6
119.00504	0.6
123.04528	4.7
135.04555	7.2
179.03508	31.3
197.04575	100.0
215.05603	0.6
222.51567	0.6
246.71329	0.6
265.47345	0.7
291.72687	0.6
353.13297	0.7
359.09894	87.5
431.87180	0.7
463.53232	0.6
619.52582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66765	0.4
63.48900	0.4
69.23418	0.4
72.98885	0.9
72.99300	26.4
115.09504	0.5
123.04493	6.2
135.04514	6.5
161.52068	0.5
179.01915	1.0
179.03499	30.3
197.04568	100.0
260.42499	0.5
359.09879	77.6
626.47058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72242	0.4
51.56554	0.4
60.85918	0.5
68.92574	0.4
70.11929	0.5
72.99301	28.8
75.76406	0.5
98.17989	0.6
117.39182	0.6
123.04496	7.0
135.04521	6.8
145.06734	0.6
179.03502	34.5
180.41479	0.5
197.04559	100.0
359.09875	78.6
359.14450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
67.34785	0.3
71.01377	1.7
80.98808	0.2
85.02909	0.4
93.03444	20.6
101.02437	1.3
106.94385	0.3
113.02467	1.1
116.92854	1.5
119.54299	0.2
127.73357	0.2
129.14458	0.3
137.02438	100.0
161.04686	0.3
191.05624	0.5
273.41922	0.3
299.07742	32.4
373.11688	0.4
374.12128	0.4
391.77673	0.3
598.73975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10168	0.2
57.71309	0.2
59.01368	0.2
61.76632	0.2
71.01380	1.7
73.02936	0.3
82.66601	0.2
85.02940	0.8
93.03442	19.3
101.02435	0.8
113.02432	0.9
116.92853	0.2
137.02437	100.0
153.05460	0.2
161.04602	0.2
184.17139	0.2
253.48804	0.2
299.07730	34.2
374.12497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95112	0.9
59.01381	60.1
59.01688	1.9
60.07071	0.9
67.74809	1.1
70.18600	1.0
71.01379	39.6
72.99304	4.2
85.02950	5.8
89.02436	71.9
95.01387	1.3
101.02439	36.3
113.02444	27.0
119.03494	27.9
131.03423	3.1
135.04478	2.1
143.03456	1.9
146.32506	1.1
149.04523	2.1
161.04539	6.1
179.03505	2.4
179.05602	13.4
191.05615	7.0
197.04532	10.8
200.28857	1.1
221.06618	5.2
263.07840	11.4
264.25592	1.2
277.09229	1.4
279.10880	100.0
296.67053	1.3
313.37387	1.6
323.09866	1.8
341.10922	14.7
359.09802	8.2
421.46765	1.2
436.86816	1.1
443.66733	1.1
719.26477	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92193	1.3
57.64374	1.3
59.01379	19.2
64.90891	1.3
68.80505	1.6
71.01376	10.0
72.99294	2.0
74.29855	1.4
85.02947	2.0
87.00883	1.5
89.02444	14.6
93.12880	1.5
98.50172	1.3
101.02436	10.1
113.02448	2.1
119.03497	8.0
119.05025	13.1
177.05576	55.5
179.03510	3.2
195.06657	15.8
197.04561	7.5
357.11975	100.0
364.82141	1.8
448.04044	1.7
658.12146	1.7
719.24048	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95778	0.2
57.03452	0.3
59.01379	1.3
62.59673	0.2
66.81285	0.2
67.01888	1.0
71.01395	1.9
80.13116	0.3
82.43658	0.3
87.00876	0.3
89.27173	0.3
93.03452	8.9
97.31489	0.2
111.04510	2.6
113.02445	0.6
119.05006	5.7
137.02452	4.2
155.03502	4.8
163.04021	19.7
173.04555	100.0
191.05670	2.4
337.09354	48.1
414.84421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80291	0.6
59.01376	3.5
65.09306	0.6
70.26240	0.6
71.01383	3.1
72.24584	0.5
72.97038	0.6
85.84010	0.6
87.00852	0.7
89.02448	1.1
89.94945	0.6
92.22478	1.0
101.02426	1.4
113.02417	2.4
149.02406	5.3
163.14879	0.7
164.04802	23.2
165.05608	0.7
175.00386	2.6
179.07101	4.5
190.02725	44.1
191.03455	2.7
205.05081	100.0
208.03752	0.7
209.04538	2.3
221.08195	0.7
223.06148	39.9
251.05681	0.8
265.07092	2.5
273.18637	1.3
311.07800	1.5
367.60800	0.6
575.24719	1.0
701.31158	2.7
719.32971	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37514	2.9
59.01388	39.9
60.49719	3.6
71.01384	15.7
73.02950	4.0
75.58487	3.1
85.02962	5.3
87.00836	4.5
89.02464	4.5
101.02440	6.7
105.50035	3.9
107.38767	3.5
108.09199	3.6
113.02460	4.0
166.92599	3.6
238.77597	3.7
252.64362	4.1
256.14685	36.8
268.14682	7.8
339.23264	14.1
409.27307	5.8
427.28647	8.8
463.13425	4.3
520.27606	6.4
559.08160	4.3
571.32770	8.6
589.33472	6.1
631.35565	18.0
675.34045	100.0
719.33313	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25378	0.7
54.83014	0.8
55.01870	1.0
59.01099	1.9
59.01381	34.6
71.01376	15.6
73.02936	12.9
80.05084	0.8
80.36547	0.8
83.01373	3.3
85.02941	4.0
87.00871	1.1
89.02445	13.6
95.01383	1.7
96.22449	0.8
99.00875	1.4
101.02433	16.5
113.02420	9.0
119.03503	2.3
139.40717	0.9
144.71083	0.9
152.05043	0.9
162.84081	1.0
186.03223	1.0
201.09248	2.2
241.12325	2.2
243.85518	1.0
256.14716	26.5
268.14633	1.5
269.15329	1.3
270.16345	1.5
281.15512	4.8
295.17029	1.2
339.23325	6.9
340.20456	8.4
351.23401	1.8
358.21579	1.8
391.26645	1.2
409.27658	8.4
412.26248	1.2
427.28513	10.9
520.27020	5.5
543.26483	1.1
562.27710	1.6
571.32776	9.9
589.34045	9.9
631.34924	21.6
657.32721	11.6
675.33936	100.0
719.32733	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.9
71.01382	20.0
72.99313	2.2
73.02949	21.3
83.01379	3.7
85.02943	4.6
87.00874	3.5
87.08733	1.8
89.02435	11.8
101.02435	21.0
113.02454	12.1
119.03502	2.9
122.87187	2.0
133.58983	2.0
201.09250	4.0
227.10768	2.4
241.12318	4.4
256.14749	46.3
270.16306	3.8
281.15463	3.6
294.38858	2.3
308.17780	2.1
339.23416	2.2
340.20352	9.4
352.67157	2.2
358.21460	2.7
409.27493	8.0
427.28491	7.8
571.32666	8.7
589.34503	2.7
631.35046	83.0
675.33929	100.0
719.41223	2.5
725.29248	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.3
61.59080	0.6
61.98823	1.0
73.92667	0.6
84.80035	0.6
107.62644	0.6
117.90205	0.6
122.71341	0.6
143.62090	0.6
211.07712	0.9
227.10783	100.0
283.13422	14.9
301.14459	3.0
511.24960	14.2
560.34406	0.8
585.28613	61.0
659.32178	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86125	0.5
78.34197	0.5
78.95903	31.0
89.81322	0.5
90.13741	0.5
92.23141	0.6
96.96959	3.0
133.78886	0.5
150.98026	0.6
152.99586	100.0
168.67427	0.6
171.00676	3.3
279.23318	3.5
373.93216	0.6
431.98447	0.6
433.23648	63.0
502.59247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77878	0.8
59.01364	0.8
72.99300	77.1
75.02841	0.8
78.95897	1.6
87.00845	0.9
87.85880	1.0
107.04973	1.2
122.35660	1.1
123.04507	27.3
135.04517	44.0
151.03981	1.0
152.99533	4.7
172.47206	1.1
178.98294	1.0
179.03497	74.2
197.04558	85.7
232.30513	1.0
262.66165	0.9
279.23340	7.3
299.28952	1.0
306.50717	0.9
341.08673	1.8
420.91058	1.2
439.12308	2.1
449.55304	1.0
719.36523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21827	0.4
53.54469	0.3
54.41942	0.3
55.91495	0.3
58.85263	0.3
59.83819	0.3
111.58340	0.3
135.04544	2.9
151.55183	0.4
160.04034	100.0
173.04564	0.5
179.03477	5.9
191.05641	11.4
204.03023	6.0
345.02478	0.4
353.08844	11.1
366.08331	46.7
426.06732	0.4
445.09760	0.4
484.50851	0.4
500.80426	0.4
536.62677	0.4
720.19598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62398	0.2
52.42233	0.2
54.74191	0.3
57.91707	0.3
102.48808	0.3
104.88885	0.2
108.02967	0.3
120.47223	0.3
133.75797	0.3
135.04547	0.5
159.03293	0.4
160.04041	100.0
173.04553	1.5
179.03479	3.1
191.05629	4.0
204.03047	6.6
283.71826	0.3
353.08713	3.4
366.08331	47.8
391.27478	0.3
522.34851	0.3
544.88702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92322	0.3
73.11180	0.3
78.70281	0.3
84.54362	0.3
105.40028	0.3
122.77389	0.3
160.04042	100.0
191.05655	2.6
204.03049	7.4
238.52536	0.4
282.93182	0.3
353.08960	0.5
366.08340	46.3
400.24500	0.4
432.68893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77075	0.8
68.16699	0.7
72.99307	14.7
76.92048	0.7
83.05026	14.8
84.71546	0.8
90.12711	0.8
111.04510	14.4
115.04008	12.0
123.84055	1.0
127.04014	61.6
129.05623	6.0
137.02426	1.4
152.95233	0.9
155.03506	61.3
171.02985	4.9
189.04065	2.0
199.02501	43.3
217.03552	100.0
279.64355	0.8
312.88605	1.0
350.99338	0.9
520.70190	1.0
653.81403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	1.6
59.07907	1.3
72.99307	7.9
81.03448	1.5
83.05013	11.0
93.03414	1.7
111.04509	24.4
115.03979	5.9
116.92876	2.6
127.04008	73.7
129.05551	2.4
131.15331	1.6
135.04509	1.9
136.25211	1.5
137.02444	5.9
155.03503	97.4
198.85672	1.7
199.02486	65.1
217.03539	100.0
306.17365	2.3
315.10962	3.5
326.28625	1.7
527.15637	1.9
720.21979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67553	0.7
59.01394	0.7
60.99300	4.7
67.01896	11.3
69.03468	1.0
70.85986	0.7
71.01375	3.4
81.03408	1.4
83.05041	0.7
85.02941	3.4
87.00867	18.8
88.39487	0.8
89.00711	0.8
91.01891	5.3
93.03452	98.3
99.00867	1.1
108.02181	5.9
109.02948	1.7
111.04512	15.8
119.50999	0.8
123.04523	28.2
127.03982	1.1
129.01941	3.8
134.03691	1.2
141.03461	0.9
141.31348	0.8
142.75287	0.7
155.03464	4.2
171.02809	0.9
173.04559	43.8
173.05968	2.3
187.12395	0.8
190.05132	7.3
191.05637	88.6
193.05101	1.7
206.08238	5.5
250.76953	0.9
279.06717	0.9
280.07336	1.9
295.09677	4.1
296.10590	3.0
305.07114	1.0
318.90720	0.8
361.84616	0.8
384.59592	0.8
515.02545	1.0
546.17902	4.2
720.23053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
60.99298	4.8
67.01888	12.8
69.24881	0.8
71.01376	5.2
75.68082	1.0
77.26250	0.9
81.03448	1.0
81.11249	0.8
83.05007	1.4
85.02932	5.2
87.00874	22.1
87.31439	0.8
91.01875	4.1
93.03452	93.8
108.02152	4.4
108.72871	0.9
109.02954	1.6
111.04511	16.5
113.02420	1.2
115.03990	1.5
123.04517	26.0
129.01920	2.1
155.03481	5.1
163.28458	1.0
173.04550	43.6
173.05905	1.9
190.05112	5.3
191.05626	90.6
193.05052	1.6
206.08237	7.6
280.07431	4.4
295.09811	4.9
399.99017	1.1
470.35925	1.1
538.74487	1.0
546.17554	5.3
660.31952	1.2
720.23035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97780	1.6
51.31266	1.7
60.99281	2.3
61.98832	2.9
67.01888	4.1
71.01384	2.0
81.03429	1.7
82.43095	1.6
84.74653	1.9
87.00877	10.1
89.73734	1.6
91.01888	2.9
92.23035	1.9
93.03448	58.0
100.61811	2.0
108.02210	2.2
111.04501	11.0
123.04523	21.2
130.08707	2.1
134.03755	3.0
137.02431	2.7
152.07050	2.1
155.03468	4.2
173.04555	100.0
173.06059	3.2
190.05060	2.8
191.03998	3.3
191.05647	68.9
193.04993	4.5
206.08185	2.8
275.63293	2.3
280.07529	2.4
342.29153	2.4
533.67975	2.0
534.06616	2.3
546.18127	8.5
551.05939	2.2
704.56287	2.2
720.22864	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
70.64772	1.5
71.01382	1.6
74.31668	1.4
77.75750	1.2
99.00930	2.1
125.06094	6.8
190.02745	2.4
205.05093	14.4
216.05136	100.0
223.06186	6.3
281.55048	1.5
385.74915	1.5
503.17700	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47038	3.1
54.99114	2.7
56.15634	2.8
56.56318	3.5
61.98547	3.2
64.82809	3.0
78.95895	3.5
96.00892	25.4
98.02483	8.1
114.01949	7.4
118.06609	4.2
120.63274	3.5
147.04526	8.5
148.19469	4.0
164.07198	40.1
165.10320	5.4
166.08745	21.3
183.11414	15.9
185.09317	41.8
199.06453	6.9
209.09380	4.6
210.07800	6.0
269.22888	4.0
282.11127	5.1
313.15546	18.6
322.88077	3.5
336.85925	3.7
357.14673	58.1
375.15527	4.0
411.08130	3.9
455.41705	3.9
469.96478	3.7
552.21277	4.7
658.27759	7.4
676.28040	5.7
702.30109	100.0
720.31165	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.0
71.01366	16.8
73.02924	2.2
80.94649	1.5
83.01360	2.6
85.02946	2.6
87.00869	2.3
89.02429	25.2
97.02922	2.6
101.02426	17.0
113.02435	9.9
119.03522	6.5
125.02429	6.2
132.24438	1.9
135.27615	1.8
143.03621	1.7
149.59204	1.9
235.08360	3.6
279.23318	100.0
305.08691	2.1
397.13535	78.2
412.92111	1.9
415.14639	24.1
640.47406	2.2
677.37433	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.7
61.98839	2.5
71.01382	22.0
73.02938	3.0
83.01373	1.7
85.02940	2.5
87.00886	2.8
89.02438	23.5
97.02942	1.3
99.00873	1.7
101.02455	20.1
113.02448	11.0
114.02096	1.2
119.03498	6.3
125.02451	9.1
143.03522	1.3
161.04573	4.8
181.50421	1.3
221.73497	1.3
235.08224	6.8
240.66241	1.2
279.23303	100.0
386.75342	1.5
397.13528	76.3
415.14645	19.2
568.58807	1.3
636.65741	1.9
677.37555	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76147	0.5
58.01332	0.6
62.27126	0.5
64.87614	0.5
71.77254	0.5
82.17534	0.6
95.05035	0.7
96.67794	0.6
111.04282	0.6
112.07696	7.5
113.06044	1.0
124.29337	0.6
129.10336	4.6
130.08733	12.7
207.15086	5.1
208.13388	0.9
224.17720	3.0
225.16087	26.9
320.23364	1.3
337.26071	3.9
338.24533	4.8
433.32065	2.5
450.34622	3.1
451.33008	1.1
563.42432	1.2
591.57281	0.7
594.44818	0.7
659.48785	7.3
677.49811	100.0
720.50391	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
71.01376	1.4
73.02940	0.7
79.83221	0.3
79.95729	1.7
83.01389	0.4
85.02935	0.5
89.02454	1.3
93.99735	0.3
96.96000	100.0
97.56055	0.3
101.02448	2.0
113.02439	1.2
119.03487	0.5
136.18315	0.3
139.11249	0.4
161.04668	0.3
179.83054	0.3
183.10252	0.4
200.12949	2.5
201.13258	0.5
217.92996	0.3
224.42531	0.3
314.71786	0.4
408.61572	0.3
592.65265	0.4
661.34430	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.6
71.01378	0.5
84.69616	0.4
85.02930	2.1
87.00867	3.0
93.03449	8.6
109.02923	0.5
111.04497	2.7
115.00359	1.0
120.87773	0.4
127.04031	0.7
129.01944	0.4
134.03728	2.5
135.04517	2.8
136.04907	0.4
137.02449	0.6
149.02460	0.7
149.06036	0.5
155.03522	0.9
161.05923	0.5
173.04538	16.9
179.03487	4.4
191.05626	100.0
193.05086	5.9
235.85399	0.4
242.05807	2.3
255.06528	0.5
257.08212	9.7
270.09183	0.7
285.11374	6.5
289.05518	0.6
296.06784	0.7
311.09369	1.7
322.05063	0.6
337.07132	0.8
353.08801	2.3
367.10455	3.4
410.23038	0.5
501.33289	0.5
547.14514	0.6
699.08069	0.5
721.19989	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46896	1.6
72.32864	1.7
74.34441	1.9
79.06055	1.7
87.00890	2.6
93.03467	17.1
111.04507	7.6
115.29243	1.9
135.04518	43.7
137.02425	4.3
155.03499	4.5
161.02461	9.2
168.97713	1.9
173.04546	87.7
179.03508	77.9
191.05624	100.0
193.05035	3.7
335.07687	16.5
353.08810	99.6
367.10413	31.4
397.05078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89947	0.5
57.95461	0.5
65.43232	0.5
87.00870	100.0
99.26727	0.6
118.85456	0.5
142.67082	0.5
173.45718	0.6
268.03568	1.0
283.06161	7.3
300.26785	0.6
455.73679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49993	0.7
53.55545	0.7
57.21033	0.7
63.49671	0.7
87.00867	100.0
173.04604	1.2
205.05083	1.3
283.06180	7.5
333.49579	0.9
352.89813	0.8
371.14871	0.9
397.21356	0.8
429.70212	0.8
517.52136	1.1
596.41711	0.9
721.35760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.89596	0.9
71.84852	1.0
79.72382	0.9
87.00866	100.0
93.03448	1.0
137.02435	5.3
178.77615	1.0
180.68454	1.1
191.99260	1.0
209.54890	1.0
237.93135	1.0
268.03824	1.4
283.06091	7.8
456.65387	1.1
633.88092	1.1
682.72858	1.2
721.31866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32106	1.0
65.95384	0.9
79.90514	1.0
93.03465	5.2
96.27631	1.0
111.04514	1.6
117.03445	2.5
134.03741	36.4
135.04535	10.1
142.26703	1.1
147.42398	1.1
148.39864	1.2
149.06131	7.8
155.03494	4.7
173.04558	31.3
179.03516	20.3
182.41469	1.3
191.01909	1.2
191.05627	25.9
193.05080	100.0
327.33115	1.3
348.56302	1.1
353.08868	26.5
367.10376	62.9
506.86414	1.3
562.35101	1.4
721.20703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16105	0.4
55.70012	0.4
57.13614	0.4
67.01877	0.8
71.01369	1.1
80.17669	0.4
85.02939	2.0
87.00874	0.8
93.03447	12.1
111.04509	3.7
120.77575	0.5
123.72794	0.5
135.04526	35.1
137.02448	5.3
155.03510	5.9
161.02455	2.6
173.04552	100.0
179.03506	73.5
182.96404	0.5
191.05624	59.4
193.05167	0.9
259.91104	0.5
304.55774	0.5
353.08823	95.7
367.10434	3.6
517.07312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81439	0.4
51.71132	0.5
54.15319	0.5
59.01369	0.8
59.07145	0.5
61.10287	0.6
70.11118	0.5
74.35292	0.5
85.02636	0.6
87.00867	100.0
210.20572	0.6
230.74551	0.6
260.17151	0.6
283.06070	6.2
329.79944	0.6
428.34952	0.8
530.98291	0.8
691.95306	0.7
721.33136	1.1
742.80133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00722	0.8
59.01376	0.9
60.97991	0.7
63.33168	0.8
85.02945	1.7
87.00851	1.1
92.64946	0.8
93.03448	4.5
103.03142	0.8
111.04521	3.2
115.00375	1.2
117.03479	0.9
119.04861	0.8
134.03741	45.2
135.04558	1.1
149.06107	6.0
155.03503	4.0
160.04039	6.3
161.04407	2.1
173.04550	13.1
179.03464	3.1
183.35033	0.8
191.05629	100.0
193.05072	76.9
229.15749	0.9
257.08206	1.9
270.08954	1.5
285.11356	12.9
311.09412	0.9
353.08734	6.6
367.10403	52.0
547.14801	1.4
721.19977	25.5
721.32483	1.0
733.27631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82959	0.5
57.27744	0.7
71.01346	0.9
82.64178	0.6
96.96960	0.6
101.02428	1.3
105.28205	0.8
108.02173	20.8
109.02947	15.3
113.02425	0.9
117.05331	0.6
133.01428	0.7
151.03979	2.5
151.05104	1.3
152.01157	52.4
153.01936	29.9
163.03993	0.9
165.01944	1.2
298.95242	0.7
315.07266	100.0
369.55353	0.7
407.62332	0.7
582.25439	0.7
625.61127	0.7
649.41931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2217
Annotation	Jasplakinolide B
Peak:m/z	Relative Intensity
53.91576	0.8
59.01375	5.9
62.24746	0.8
71.01392	8.1
75.00864	5.6
80.26989	0.9
85.02950	7.7
87.00867	4.2
89.02413	3.8
93.03456	1.0
95.01379	1.4
97.70036	1.0
99.00858	5.5
101.02393	1.1
113.02441	19.5
129.01945	1.5
129.36580	1.0
133.01395	1.0
134.03735	9.4
135.04529	2.0
149.06062	4.9
161.02490	1.5
163.04005	1.5
173.04552	1.6
175.02534	3.1
175.04010	7.2
179.03522	4.5
191.05626	26.0
193.05057	34.2
219.06551	1.3
247.09738	1.5
249.06158	24.9
252.26823	1.0
257.08084	1.6
267.07123	48.3
314.00717	1.0
353.09143	1.5
425.11343	1.2
443.11862	7.3
557.40607	1.3
559.16736	1.1
661.20209	7.2
675.45093	1.2
721.21967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54332	0.2
58.74067	0.3
69.59039	0.2
69.91760	0.2
78.36269	0.2
79.55193	0.2
79.95744	1.5
85.02839	0.2
92.31788	0.2
96.96008	100.0
155.27405	0.2
182.24823	0.3
182.71617	0.3
221.18330	0.3
296.55939	0.3
354.54501	0.3
552.72125	0.3
721.24561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.0
59.49968	1.7
67.75915	1.9
68.66814	1.8
71.01378	3.9
73.02930	9.4
79.97929	1.9
83.01404	3.1
85.02957	3.2
89.02437	2.6
95.29268	1.9
100.78415	1.9
101.02422	10.2
119.03529	1.8
123.04509	2.6
133.02986	2.2
134.03755	16.9
136.01659	3.3
137.02429	2.7
147.04529	2.6
149.02380	2.8
150.03232	36.6
153.05547	2.3
160.01672	23.0
164.04770	9.9
165.05573	44.0
175.03989	100.0
180.04330	3.7
190.02667	9.0
193.05087	15.2
195.06633	7.7
205.05042	25.0
223.06117	4.7
282.09006	2.6
341.10281	2.4
481.17209	77.0
547.17963	2.9
569.21002	2.2
629.22473	8.1
636.12585	2.0
677.24518	32.0
721.22998	3.4
721.25781	3.5
721.34729	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30154	1.3
59.01377	15.3
71.01384	8.5
73.02943	10.1
89.02431	6.4
101.02434	9.9
113.02444	2.7
121.02914	1.9
122.03661	1.8
134.03737	13.4
136.01628	1.6
148.05313	3.3
149.02440	5.9
149.06046	2.7
149.12057	1.5
150.03221	25.8
160.01649	29.0
164.04761	9.6
165.05571	45.7
175.04005	100.0
177.01862	1.5
180.04312	3.0
190.02803	12.3
192.04324	2.7
193.05096	11.4
195.06673	7.1
205.05066	28.1
223.06071	10.2
282.08987	8.5
341.10254	6.8
350.88300	1.9
481.17236	55.3
569.20453	1.9
629.22412	6.3
677.24567	70.2
721.34760	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67690	0.5
56.15226	0.5
57.49587	0.5
57.97860	0.6
59.01379	10.8
71.01381	8.2
73.02956	2.2
73.63147	0.6
83.01343	0.6
85.02956	2.9
86.17071	0.5
89.02443	15.0
89.02959	1.0
93.03466	0.7
101.02449	9.8
111.04491	0.8
113.02451	7.6
119.03509	6.3
119.05020	61.4
126.52048	0.7
135.04538	0.7
135.06638	9.0
143.03522	0.8
145.02959	12.2
161.04561	2.4
161.05994	1.0
163.04016	100.0
165.41251	0.6
173.04500	1.3
179.05666	3.3
189.05566	4.8
191.05647	10.9
205.05081	3.8
235.06143	0.9
257.08212	0.8
261.07739	0.8
264.59088	0.6
265.07230	2.6
285.11487	0.9
297.11948	49.8
325.09280	5.9
409.13760	0.6
443.15573	6.8
541.19202	2.6
559.20160	1.1
601.21722	1.3
631.22522	1.0
661.23395	2.9
714.10919	0.8
721.19421	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63436	0.4
53.09729	0.4
53.51721	0.4
54.18166	0.4
59.01106	0.9
59.01385	18.0
59.73840	0.4
63.04521	0.4
71.01380	21.6
73.02949	6.1
78.56076	0.5
79.65891	0.4
83.01386	2.1
85.02953	6.5
87.00889	0.6
89.02440	22.2
95.01373	0.8
99.00887	10.4
101.02444	23.2
113.02451	15.5
119.03521	8.4
119.05006	5.1
121.65981	0.5
125.02398	0.7
131.03493	2.3
135.04533	2.3
143.03499	1.9
149.04538	1.0
159.03021	2.5
161.04549	14.4
163.04016	8.2
171.90598	0.5
173.04549	2.5
179.05632	0.8
181.05090	7.8
191.05586	3.7
193.05098	0.5
197.08150	0.6
218.27890	0.5
220.28502	0.5
232.85606	0.5
263.11389	11.8
269.29156	0.6
395.15631	100.0
441.16382	1.0
443.15253	0.7
508.99411	0.5
529.16046	1.6
569.69537	0.5
721.22565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35922	0.6
72.99306	50.2
75.08438	0.6
109.02917	0.6
109.85131	0.6
120.21373	0.6
123.04517	21.7
133.01422	0.6
135.04530	28.4
149.97765	0.7
179.03510	48.0
197.04572	100.0
218.44519	0.6
399.37576	0.7
523.18884	1.1
531.37506	0.7
616.46942	0.8
721.25531	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25978	0.8
57.30158	0.8
59.01381	100.0
65.95931	0.9
71.01377	18.4
73.02941	6.1
75.89880	0.9
78.79310	1.0
83.01373	1.3
85.02951	9.3
90.22542	1.0
93.46560	1.1
95.01392	2.0
99.00851	1.6
101.02431	12.8
108.77616	1.1
110.34835	1.1
113.02450	10.0
118.87552	1.0
126.06738	1.0
161.04559	31.3
185.42018	1.0
315.12396	1.3
401.15936	2.0
563.21399	2.5
721.27478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.7
69.93520	1.2
71.01379	20.9
87.00897	1.6
89.02428	19.1
95.01350	1.9
101.02435	9.9
113.02444	6.7
116.92975	1.9
119.03484	7.5
135.77852	1.3
179.05579	6.2
191.07175	1.5
232.34877	1.6
248.08691	2.0
293.08243	9.2
296.10550	3.5
308.10626	9.1
311.09418	13.9
323.09564	2.8
323.12955	36.2
325.10840	2.3
326.11520	19.7
328.07016	1.6
335.72479	1.5
341.13788	2.4
352.09641	9.7
367.11859	11.8
385.13046	6.1
397.12958	100.0
415.13895	24.5
631.24493	3.3
661.24908	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50315	0.7
59.01387	10.5
60.31746	0.7
69.03459	0.7
71.01380	19.7
71.05010	1.3
73.34586	0.8
77.99509	0.9
85.02950	9.6
89.02475	1.2
97.02943	23.1
99.00890	1.1
101.02465	1.2
104.01122	0.8
109.28410	0.8
113.02450	3.5
114.93407	7.2
115.00378	5.4
115.04002	100.0
136.01692	1.1
146.68852	0.7
154.61987	0.8
161.04530	1.8
164.04759	1.5
169.04440	0.9
181.80132	1.0
311.01901	1.7
323.07269	0.9
326.04257	1.5
341.06741	6.4
368.79330	0.9
379.16022	1.1
553.38910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01383	23.3
85.02951	3.5
87.00892	1.2
88.98809	3.7
89.02441	37.9
101.02435	15.3
105.32600	1.0
113.02434	10.9
115.04005	1.9
119.03500	15.8
131.03525	1.1
143.03505	4.0
153.15828	1.0
158.70856	1.1
161.04550	4.7
172.16916	0.9
173.33444	0.9
179.05620	25.7
187.19197	1.2
386.85675	1.0
402.56848	0.9
462.62546	1.0
552.94867	1.0
721.26849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21545	2.0
59.01382	100.0
62.88511	1.6
71.01385	12.4
85.02972	2.0
89.02451	4.7
101.02445	4.2
105.65728	1.8
106.60371	1.9
111.18867	1.9
115.03997	10.3
116.00098	1.8
145.14604	2.5
161.04552	3.0
273.19635	2.3
281.08035	2.2
303.33844	2.1
311.09323	23.4
311.12579	3.3
323.12976	3.4
326.11627	38.3
337.07129	13.5
341.13876	8.3
352.09485	23.0
367.11884	35.2
370.10220	3.5
385.13028	17.8
397.12976	51.1
415.14032	55.3
457.15286	2.8
497.26883	2.5
586.16907	4.3
601.19250	14.3
616.21960	3.2
631.23987	49.4
643.24695	3.7
661.25171	62.8
728.19836	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
57.43020	1.4
59.01382	46.7
64.86670	1.4
69.70110	1.6
71.01374	22.1
73.02942	7.5
80.14570	8.6
83.01390	3.4
85.02973	2.9
87.04413	1.6
89.02433	26.8
92.22543	1.7
97.02942	1.5
99.04504	2.2
101.02435	32.4
103.92479	1.6
113.02428	15.8
119.03481	14.7
123.04528	2.1
125.02435	9.2
131.03516	2.1
133.06592	2.5
135.04510	45.4
137.06131	2.4
139.07649	39.7
140.02026	1.6
143.03500	1.9
147.42569	1.6
149.02483	3.6
153.05545	2.9
161.04507	3.5
164.04800	24.6
168.07896	8.4
171.10243	2.8
175.00342	3.3
179.05637	2.2
179.07109	3.4
182.00623	1.8
187.11292	3.9
190.02711	32.4
191.03575	2.2
205.05074	100.0
205.12361	14.9
209.04518	2.3
214.56229	1.8
216.61537	1.9
223.06113	35.7
289.78369	1.8
293.21283	2.0
297.09851	9.1
307.50171	1.6
315.10916	64.5
357.12186	6.7
453.45209	1.8
459.15225	15.2
626.17609	2.0
721.26495	80.7
721.35150	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54127	0.6
59.01382	4.1
60.93845	0.5
64.50161	0.5
71.01374	3.1
71.34661	0.5
73.02942	0.7
75.16553	0.5
84.87194	0.7
85.02930	1.2
87.00887	1.1
88.61901	0.7
89.02457	2.5
101.02428	2.7
104.39555	0.6
113.02440	1.2
119.03519	0.7
134.03687	0.6
147.04449	0.8
149.02422	7.0
150.03186	1.5
160.01678	2.9
164.04799	21.9
165.05551	3.1
175.00397	2.5
175.04033	7.5
177.01802	0.7
179.07111	4.9
190.02734	34.6
191.03520	2.7
192.61014	0.7
205.05070	100.0
208.03798	1.4
209.04572	2.9
214.14488	1.0
223.06122	37.9
231.42354	0.6
245.06294	0.6
251.05759	0.8
265.07315	0.7
281.06683	0.7
293.21188	3.5
308.05701	3.5
309.06000	3.6
311.07806	2.5
443.13611	0.8
481.16910	4.6
659.31317	1.1
661.34821	0.7
677.24817	4.0
721.34576	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63695	0.4
59.01370	2.2
69.48821	0.5
71.01369	1.5
88.98814	0.6
89.02448	1.0
95.38240	0.6
101.02428	2.5
113.02404	1.1
117.84374	0.6
149.02448	5.3
156.88058	0.6
163.04045	0.6
164.04802	20.3
175.00391	2.4
179.07147	3.7
185.96707	0.6
190.02750	26.0
191.03519	2.2
191.05434	0.8
205.05069	88.3
208.03812	1.0
209.04662	2.4
222.25723	0.6
223.06133	36.4
244.10789	0.6
265.07181	2.3
271.59113	0.6
273.18610	0.7
277.64432	0.7
293.21255	2.6
306.93237	0.7
311.07651	1.3
353.23383	1.3
388.95215	0.6
395.03839	0.6
721.34558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64013	0.8
59.01384	2.9
59.84343	0.6
61.00671	0.6
64.51109	0.7
67.42453	0.6
71.01372	2.8
77.62827	0.6
79.90366	0.6
85.02931	0.8
88.98789	0.8
89.02424	0.7
101.02434	2.5
147.04518	0.7
149.02432	5.3
152.01257	0.8
164.04791	22.2
175.00323	2.5
179.07147	4.4
190.02748	31.8
191.03476	2.9
205.05075	96.5
209.04544	1.0
223.06122	35.2
250.78452	0.7
253.99968	0.8
265.07007	1.1
269.62341	0.7
293.21292	1.0
299.63882	0.7
329.13962	0.8
516.01843	0.9
533.72736	0.7
721.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
59.01382	13.7
71.01372	24.8
73.02947	10.2
74.85323	1.0
83.01370	2.2
85.02953	10.9
89.02443	6.7
92.23016	2.2
95.01378	2.0
96.96007	1.7
99.00869	6.3
101.02440	29.2
113.02437	15.4
119.03499	2.1
125.85044	1.1
143.03484	1.1
159.02977	2.6
161.04521	8.4
191.05499	1.4
215.93384	1.5
255.06496	1.4
277.21780	2.5
288.72260	1.2
410.11227	1.3
499.29413	2.4
661.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93287	1.2
59.01394	1.1
67.84473	1.3
74.19448	1.3
78.95902	23.1
110.12989	1.4
116.92813	2.1
124.05781	1.6
128.98962	1.3
152.99586	100.0
166.25282	1.3
241.71696	1.3
255.23282	1.8
277.26343	1.3
409.23587	46.9
578.59015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73247	0.8
57.68684	0.9
63.99216	0.9
70.68716	1.0
78.95901	17.0
96.96954	1.5
124.53030	1.1
151.82423	1.2
152.99576	100.0
163.23521	1.1
171.00658	2.6
255.23233	1.9
367.83203	1.3
409.23630	43.0
477.97766	1.4
659.87073	1.4
689.40588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81026	1.3
54.44564	1.1
56.00259	1.1
59.01381	100.0
64.19681	1.4
64.69194	1.3
103.00359	6.3
103.04006	7.8
115.46748	1.4
126.74816	1.2
133.05061	76.8
135.04585	2.7
175.06111	39.0
175.30684	1.4
219.05203	2.6
280.19348	1.3
299.56799	1.6
300.63947	1.5
340.11856	20.2
502.17221	7.6
722.24152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.8
65.22024	3.5
69.65504	4.2
71.01371	8.9
71.80952	3.2
72.80104	3.3
78.07805	3.9
89.02434	8.5
101.02417	6.5
113.02423	6.3
122.56102	4.2
149.02345	4.9
164.04793	35.1
179.07130	21.1
190.02713	13.4
205.05063	61.6
206.05833	19.0
208.03748	4.3
221.08214	35.0
223.06133	87.8
237.07497	4.3
250.04640	5.3
265.07153	90.2
286.44742	3.7
295.08179	32.7
325.09363	45.5
385.11441	100.0
663.61688	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
67.66545	0.6
72.99303	27.7
83.03144	0.6
84.04525	0.6
85.02982	0.6
86.27565	0.6
89.02426	0.9
92.92124	0.6
98.32851	0.6
101.02442	4.9
102.05605	56.5
102.31673	0.7
105.45931	0.6
123.04536	5.5
135.04514	6.4
160.04053	1.1
174.07693	5.7
179.03490	29.6
197.04570	100.0
205.63760	0.7
264.10892	3.4
358.47400	0.8
359.09888	69.6
362.14670	15.3
366.08032	0.8
531.64203	0.8
670.29572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76682	0.3
59.01374	0.4
66.77147	0.2
71.01379	0.4
72.00909	1.0
73.02944	1.2
83.49172	0.3
91.74385	0.3
101.02441	12.1
112.04115	0.3
113.02474	0.5
115.04008	0.3
144.08151	0.7
147.04518	8.0
149.06049	1.1
159.67142	0.3
161.04547	0.6
164.07179	100.0
191.05670	0.3
206.08327	2.5
236.09297	13.9
248.09300	0.6
266.10361	0.6
268.07449	0.3
278.10394	1.5
326.12506	19.9
380.15820	0.3
722.21783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76682	0.3
59.01374	0.4
66.77147	0.2
71.01379	0.4
72.00909	1.0
73.02944	1.2
83.49172	0.3
91.74385	0.3
101.02441	12.1
112.04115	0.3
113.02474	0.5
115.04008	0.3
144.08151	0.7
147.04518	8.0
149.06049	1.1
159.67142	0.3
161.04547	0.6
164.07179	100.0
191.05670	0.3
206.08327	2.5
236.09297	13.9
248.09300	0.6
266.10361	0.6
268.07449	0.3
278.10394	1.5
326.12506	19.9
380.15820	0.3
722.21783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
59.27319	0.4
60.01714	0.5
61.04277	0.4
61.98832	100.0
62.48928	0.4
78.76306	0.5
83.93361	0.6
227.10817	3.9
228.11090	4.3
229.11475	2.6
265.14737	0.8
283.13510	0.9
315.42053	0.6
586.29395	0.7
588.30005	4.0
662.33862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68695	0.6
59.01391	2.4
60.47557	0.5
61.98840	1.0
81.80620	0.7
86.56406	0.6
87.24650	0.7
101.02421	1.4
124.37473	0.6
137.09731	0.9
162.62607	0.7
167.14417	10.4
210.14952	0.8
211.13445	17.3
228.16058	100.0
229.14439	8.6
662.34558	0.8
722.37048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07243	0.4
56.92514	0.5
59.01382	4.4
71.01389	2.8
72.20767	0.5
73.02943	6.8
73.24130	0.4
78.95908	0.6
79.18341	0.5
94.75016	0.5
97.02934	0.7
99.00863	1.0
99.92587	4.5
100.05359	0.6
101.02414	0.8
103.32653	0.5
115.04012	6.5
116.03574	0.6
116.04339	2.0
116.92857	100.0
117.01930	14.1
117.05584	2.9
122.91245	0.5
132.84196	0.6
149.21866	0.5
196.77145	0.5
313.10892	2.4
327.12439	1.2
328.13281	2.1
372.12360	3.4
387.14539	3.7
399.14569	6.4
417.15591	9.7
603.28735	0.7
663.26898	0.9
723.36365	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36802	1.9
55.92791	2.3
59.01380	4.2
60.63200	2.0
71.01374	3.5
74.10156	3.0
79.95737	70.8
80.96507	3.2
95.95226	5.5
96.59689	2.0
96.96002	100.0
103.10233	2.5
109.58929	2.0
111.14603	2.5
114.91173	2.2
122.97564	4.8
141.95728	3.4
152.01160	4.0
153.80534	3.0
164.04779	10.7
179.07123	3.4
193.01414	5.6
194.05826	10.3
208.03796	47.1
223.06117	28.6
499.09271	26.2
528.09277	9.3
598.74487	2.3
609.30658	2.5
663.35956	13.5
691.62170	2.6
723.15967	81.3
723.27814	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54958	0.6
51.32306	0.6
51.93589	0.6
54.06375	0.6
59.01366	1.9
71.01373	1.8
77.72576	0.7
79.95741	58.6
80.96507	5.5
87.00903	0.8
89.02454	1.0
92.03448	0.8
95.95216	9.8
96.96009	100.0
101.02425	1.1
109.96764	1.3
113.02507	1.1
119.03491	0.8
122.97562	7.7
123.04515	1.0
130.19624	0.9
141.95770	1.7
148.89484	0.8
148.91499	0.8
149.02411	4.3
152.01111	1.4
152.73457	0.9
163.03978	0.7
164.04799	10.8
169.05119	1.0
177.05641	0.8
179.03479	0.8
179.07133	4.7
181.05081	1.0
190.02725	0.8
193.01448	1.7
193.05026	3.3
194.05869	3.0
205.05057	1.0
208.03777	22.0
223.06142	18.1
259.43436	0.8
301.07352	7.6
316.09418	4.9
331.12054	7.1
340.20593	0.8
340.78088	0.8
360.12149	1.0
499.09122	11.5
528.09552	9.7
540.53998	0.7
631.20514	1.0
637.07117	0.8
723.15942	70.2
723.25946	3.1
723.35107	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03445	6.9
57.74354	0.9
58.25145	0.8
59.01379	6.6
69.57665	0.9
71.01378	2.0
72.99296	1.5
75.00862	1.4
85.02946	100.0
87.00876	1.7
93.03442	2.4
96.95979	1.3
98.71910	1.0
99.00851	1.3
100.97407	1.0
103.00342	1.5
111.00883	5.1
115.00351	1.3
119.05006	4.4
129.01942	6.0
134.03758	1.2
135.04489	1.7
145.25313	1.0
147.03000	8.4
163.03969	5.2
173.04506	7.5
179.03506	4.0
181.07077	1.0
181.08650	1.2
191.02011	36.5
191.05617	38.3
192.06047	1.7
193.05119	5.2
194.05472	1.1
194.95668	1.1
209.03023	9.0
271.09732	4.3
337.09207	3.8
352.25449	1.0
352.31360	1.1
353.08838	2.3
369.08459	2.5
385.07770	54.2
385.12393	2.2
549.16193	1.5
723.20941	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04694	1.2
60.99314	13.2
79.06028	1.4
79.44582	1.4
79.75471	1.4
87.00883	3.6
88.98799	100.0
89.02439	19.5
97.05307	1.6
134.03786	1.9
148.68979	1.4
161.02544	1.6
164.65854	1.6
205.04750	1.8
211.13428	2.4
228.15962	10.4
229.16403	8.3
283.06116	5.6
315.95822	1.8
378.14111	1.6
612.13641	1.6
688.29333	2.0
723.23181	7.3
723.34875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77396	0.6
57.25974	0.6
59.01380	1.6
60.99314	9.8
71.01412	0.6
71.23689	0.6
78.33146	0.6
84.66758	0.6
84.67308	0.8
87.00858	1.6
88.98796	100.0
89.02436	9.7
96.16356	0.6
147.67398	0.7
184.01567	0.7
215.12836	1.0
283.06152	3.7
392.78561	0.7
590.15308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65099	0.5
54.79162	0.6
59.01384	2.5
60.99314	13.1
84.96616	0.6
87.00868	3.5
88.00394	0.9
88.98801	100.0
89.02440	14.2
115.44253	0.6
176.49188	0.7
243.07408	0.6
258.04886	0.7
268.03864	1.4
283.06235	5.2
315.18619	0.6
361.20309	0.6
399.01367	0.9
459.34338	0.7
563.34515	0.8
723.34631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03445	6.9
57.74354	0.9
58.25145	0.8
59.01379	6.6
69.57665	0.9
71.01378	2.0
72.99296	1.5
75.00862	1.4
85.02946	100.0
87.00876	1.7
93.03442	2.4
96.95979	1.3
98.71910	1.0
99.00851	1.3
100.97407	1.0
103.00342	1.5
111.00883	5.1
115.00351	1.3
119.05006	4.4
129.01942	6.0
134.03758	1.2
135.04489	1.7
145.25313	1.0
147.03000	8.4
163.03969	5.2
173.04506	7.5
179.03506	4.0
181.07077	1.0
181.08650	1.2
191.02011	36.5
191.05617	38.3
192.06047	1.7
193.05119	5.2
194.05472	1.1
194.95668	1.1
209.03023	9.0
271.09732	4.3
337.09207	3.8
352.25449	1.0
352.31360	1.1
353.08838	2.3
369.08459	2.5
385.07770	54.2
385.12393	2.2
549.16193	1.5
723.20941	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35776	0.5
59.01372	2.7
59.86657	0.5
60.58445	0.5
60.99310	11.3
70.28883	0.6
77.59184	0.5
85.46625	0.6
87.00875	4.0
88.00367	0.9
88.98801	100.0
89.02437	22.2
95.78615	0.6
97.06564	0.6
101.80292	0.6
120.12727	0.7
122.15342	0.6
148.54720	0.6
216.31262	0.6
225.11331	0.6
230.28427	0.7
265.67859	0.7
268.03870	0.8
283.06146	6.2
437.67392	0.8
494.22925	0.7
723.29291	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97953	0.4
59.01368	1.0
61.79747	0.4
71.01402	0.5
73.75217	0.4
77.87653	0.4
85.02924	1.5
86.04811	0.4
87.00863	0.7
89.02457	0.5
93.03463	2.0
111.04512	0.9
113.02449	1.8
115.00374	1.0
123.04520	0.4
131.34407	0.4
134.03729	0.7
135.03021	0.4
135.04576	0.8
137.02432	0.5
155.03581	0.4
161.02502	1.4
173.04567	7.0
175.02478	1.9
177.02165	0.5
179.03548	0.7
191.05634	100.0
193.05081	0.8
256.07431	2.3
261.24753	0.4
271.09833	5.1
272.66498	0.4
353.04456	1.0
353.08826	26.0
369.08054	1.0
369.12265	0.5
663.19257	0.8
723.21259	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.5
59.01378	4.4
60.18242	0.9
71.01369	1.0
72.71341	0.7
75.00853	1.0
83.01375	1.0
83.55501	0.7
84.02169	0.7
85.02950	100.0
87.00865	0.9
92.22443	0.9
99.00913	0.7
101.02427	1.1
103.00360	1.8
111.00882	5.3
119.04996	0.9
129.01956	5.0
134.03720	0.8
135.23538	0.8
145.01369	0.9
147.02985	7.6
162.01486	0.8
163.02617	0.8
163.03996	4.8
173.00949	1.0
191.01996	35.7
191.05630	4.7
193.05054	3.4
209.03064	5.9
217.03543	0.9
287.72839	0.9
337.09421	1.5
385.07822	49.7
568.37976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83520	0.2
53.97742	0.2
59.01368	0.9
64.76244	0.2
68.65253	0.2
71.01382	0.5
79.95735	1.2
89.02431	1.5
92.23150	0.2
93.03442	0.2
96.96002	100.0
98.95579	1.8
98.96454	0.3
101.02438	1.0
101.66742	0.2
110.05951	0.2
153.71323	0.3
154.99887	0.3
171.23630	0.2
200.12910	0.9
201.11371	0.2
203.12862	0.3
329.13831	0.3
409.12808	0.3
492.19623	0.3
501.17923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01376	0.2
53.44596	0.2
53.87724	0.2
59.01381	0.4
62.72433	0.2
66.80051	0.2
72.99372	0.3
75.05553	0.2
79.95737	1.3
83.66864	0.2
85.33784	0.2
87.59039	0.2
90.93894	0.2
96.96004	100.0
103.04017	0.3
129.67329	0.2
175.12669	0.2
175.30750	0.3
193.05055	0.9
210.57480	0.3
214.21687	0.3
239.13016	0.3
244.35849	0.2
245.20934	0.3
245.84625	0.2
279.78033	0.2
604.79175	0.2
740.86597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
59.90265	0.6
60.99355	0.6
62.68805	0.6
67.01915	0.7
71.01382	2.7
76.97987	0.5
85.02957	2.8
87.00867	4.3
89.02432	1.0
93.03451	15.2
103.18049	0.6
108.02906	0.6
109.96557	0.6
111.04520	4.6
113.02452	1.7
119.05026	3.9
121.02919	0.8
127.03944	0.7
129.01961	0.8
133.01337	0.7
134.03723	1.2
137.02480	0.7
145.02953	1.4
149.05984	1.1
155.03485	3.2
159.26515	0.6
160.28790	0.6
163.04025	8.0
164.07208	1.0
166.02727	0.6
171.33234	0.6
171.34933	0.6
173.04547	18.4
175.27686	0.8
179.03557	0.9
191.05644	100.0
193.05066	3.5
206.08240	1.3
241.05066	1.3
248.32118	0.7
256.07440	8.2
271.09760	17.9
325.10788	1.6
337.09354	37.9
387.11084	5.5
549.16150	3.0
561.15851	3.0
663.19836	3.0
723.21185	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21458	1.8
59.01381	13.6
59.07986	1.7
71.01389	10.8
72.99300	3.7
73.02953	3.4
75.00865	2.0
81.55464	2.2
83.01409	2.0
85.02956	2.8
87.00858	2.7
88.98801	4.6
89.02448	4.8
101.02426	7.9
109.02928	1.9
113.02464	2.8
135.04509	12.3
136.04887	2.4
146.66316	2.0
148.11073	2.0
149.02425	9.6
149.06084	2.1
155.53854	2.3
161.04411	2.0
164.03424	3.3
164.04790	93.4
166.02679	3.0
178.06425	3.2
179.07129	67.7
179.08626	3.5
191.03545	3.4
195.06625	3.4
197.04613	2.6
205.05023	10.8
205.83881	1.9
206.05876	5.1
208.03745	10.2
222.05270	4.6
223.06114	60.5
237.07776	4.1
265.07126	2.8
333.06140	4.1
348.08444	11.8
363.10941	60.8
363.18066	3.2
463.16174	100.0
517.09943	2.8
561.20105	3.4
723.12347	2.4
723.24738	2.6
723.37512	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21458	1.8
59.01381	13.6
59.07986	1.7
71.01389	10.8
72.99300	3.7
73.02953	3.4
75.00865	2.0
81.55464	2.2
83.01409	2.0
85.02956	2.8
87.00858	2.7
88.98801	4.6
89.02448	4.8
101.02426	7.9
109.02928	1.9
113.02464	2.8
135.04509	12.3
136.04887	2.4
146.66316	2.0
148.11073	2.0
149.02425	9.6
149.06084	2.1
155.53854	2.3
161.04411	2.0
164.03424	3.3
164.04790	93.4
166.02679	3.0
178.06425	3.2
179.07129	67.7
179.08626	3.5
191.03545	3.4
195.06625	3.4
197.04613	2.6
205.05023	10.8
205.83881	1.9
206.05876	5.1
208.03745	10.2
222.05270	4.6
223.06114	60.5
237.07776	4.1
265.07126	2.8
333.06140	4.1
348.08444	11.8
363.10941	60.8
363.18066	3.2
463.16174	100.0
517.09943	2.8
561.20105	3.4
723.12347	2.4
723.24738	2.6
723.37512	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
71.01378	8.8
74.37659	1.2
75.01749	0.9
78.72225	1.0
83.01398	1.5
84.26093	1.2
85.02940	1.3
86.33686	1.2
87.00858	1.6
87.47490	1.1
89.02428	5.6
92.22447	1.3
92.45301	1.1
97.02963	9.7
101.02422	6.3
111.00854	5.7
113.02444	2.3
117.97009	1.1
119.03471	2.0
122.61620	1.2
131.47585	1.2
144.42900	1.2
149.02415	7.3
150.03127	2.4
153.05569	6.0
163.03958	2.1
164.04794	31.2
165.05632	1.7
166.02670	1.8
175.00319	1.9
176.01131	9.6
177.05592	1.8
178.06343	1.9
179.07159	30.5
181.05055	1.1
190.02734	5.5
191.03525	41.7
194.02321	1.3
195.06644	1.9
205.05049	19.6
206.05841	33.7
207.02974	5.0
208.03745	6.6
209.04590	5.7
217.05281	1.3
221.08214	39.1
222.05362	7.3
223.06081	24.8
235.02536	1.9
236.06886	4.6
237.07692	2.6
247.05981	1.9
250.04878	24.8
265.07187	100.0
295.08200	7.2
325.09192	8.2
388.15427	1.8
403.17542	1.6
463.16019	14.1
483.15079	38.9
497.16940	1.3
505.17303	5.8
663.35541	1.5
723.25092	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.82946	0.6
67.01892	0.9
71.01373	1.4
75.93471	0.7
76.69314	0.6
85.02938	1.0
87.00873	1.5
92.23130	0.8
93.03455	14.6
106.66432	0.7
111.04503	4.5
119.05042	5.7
124.16456	0.7
137.02448	3.9
139.91281	0.7
154.15765	0.7
155.03474	4.7
163.04001	17.2
173.04550	100.0
191.03995	1.5
191.05630	29.5
193.05067	2.9
256.07468	0.9
271.09756	3.2
310.08661	1.4
325.10791	1.4
337.09344	41.7
367.10333	11.8
387.10696	5.1
561.15887	1.1
723.21057	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01394	1.2
67.01881	0.8
71.01380	1.2
79.56619	0.6
80.78870	0.6
85.02946	8.5
93.03456	7.5
98.55019	0.7
109.21787	0.8
111.04505	2.8
119.05031	6.6
122.08788	0.8
122.94155	0.7
137.02428	3.2
155.03508	4.3
158.17085	0.6
158.64719	0.6
163.04022	18.0
171.81172	0.8
173.04552	100.0
191.02000	1.4
191.05630	7.0
271.09970	1.0
337.09338	48.9
367.10394	1.1
385.07764	3.0
633.06708	0.7
723.21088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32110	0.9
53.50785	1.1
59.01376	1.1
62.17160	0.9
63.99974	0.9
71.01338	1.2
90.14452	1.1
93.03423	1.1
96.91573	1.1
110.52931	1.0
111.04554	1.1
113.02435	4.2
119.05016	33.4
135.03006	1.1
135.04529	17.4
161.02448	19.0
163.04015	100.0
173.04567	19.6
176.18159	1.0
179.03526	18.2
191.05627	52.0
206.82561	1.1
242.69608	1.1
245.59756	1.1
271.09827	6.2
331.48303	1.0
333.29831	1.1
337.09338	58.7
348.24545	1.2
425.87598	1.0
441.14047	33.4
466.84024	1.1
670.69727	1.3
689.42145	1.1
723.21667	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.0
59.01373	0.9
62.33519	0.6
62.46832	0.7
66.39925	0.7
69.09332	0.7
70.02981	7.6
72.04559	1.2
73.28626	0.8
74.02465	28.7
79.41971	0.7
85.53556	0.7
93.03463	1.1
96.96014	11.7
97.09221	0.7
98.02483	8.4
116.03534	18.4
116.05011	7.6
117.81683	0.7
127.03974	0.8
155.03461	0.9
159.09373	0.8
171.94518	0.8
186.05563	1.1
191.05588	1.2
201.10352	5.5
203.08282	66.2
245.09328	100.0
246.09433	1.4
289.08347	8.1
357.09848	0.9
415.02420	1.0
471.89334	0.8
491.82986	0.8
503.77350	0.8
723.22949	4.3
731.13306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95649	3.3
59.01380	25.3
71.01387	18.7
78.95927	3.7
81.40357	3.9
89.02425	29.5
100.27772	5.1
101.02454	20.7
105.03743	4.5
106.33678	3.8
111.36784	3.6
113.02470	6.1
115.76191	3.9
125.02480	7.2
144.88252	5.1
182.93118	4.4
205.82281	4.1
235.08356	5.9
245.19661	4.7
265.21774	100.0
310.42786	4.2
393.49411	4.9
397.02554	4.5
397.13599	70.8
415.14468	22.2
663.36230	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39316	0.9
52.62469	1.0
54.59128	1.0
55.21834	1.0
55.51452	1.0
59.01109	1.0
59.01381	21.8
69.97691	1.1
70.29871	0.9
71.01378	21.8
72.99297	1.3
73.02930	8.5
83.01357	1.5
85.02946	10.6
87.00878	1.6
89.02438	13.4
95.01357	1.4
96.95992	6.2
99.00868	2.6
101.02442	28.8
111.00876	1.5
113.02437	12.3
114.78083	1.2
119.03496	2.5
119.55131	1.4
120.30163	1.0
135.02699	1.1
140.33406	1.2
159.02943	1.4
161.02446	1.6
161.04539	7.8
163.04074	1.6
177.05496	2.1
178.02704	2.0
179.03470	1.7
184.99959	1.1
191.05740	2.1
193.05092	10.1
194.05846	2.4
197.04617	5.2
198.05025	1.3
199.37445	1.4
209.08258	2.7
334.13712	1.1
335.09500	1.1
346.67630	1.1
403.14081	16.4
501.30371	1.7
632.56653	1.2
663.36041	100.0
723.33923	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94701	0.2
59.01377	5.7
60.01703	0.3
60.52994	0.2
61.98831	100.0
65.93500	0.3
66.06982	0.3
71.01371	0.7
78.98975	0.3
85.02971	0.3
101.02486	0.3
113.02419	0.6
113.08115	0.3
129.91287	0.3
161.04585	2.0
162.04857	0.4
173.04594	0.5
370.06458	0.3
393.73972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62922	0.5
59.01381	1.9
61.02942	0.7
61.98845	0.6
65.57530	0.4
71.01385	6.5
72.99297	1.9
85.02901	0.7
87.00845	0.6
88.40910	0.4
89.02428	2.0
91.67097	0.4
103.03996	4.9
113.03544	0.7
115.00362	39.9
115.03972	0.5
116.92831	0.8
131.04623	2.1
132.02989	0.5
133.01430	100.0
133.05064	16.1
152.20125	0.5
152.89296	0.4
156.82677	0.4
219.83070	0.4
260.37244	0.4
283.06192	1.5
300.09592	0.4
614.35693	0.5
725.24249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78275	9.8
54.04910	11.1
54.13233	9.3
56.26133	11.3
59.01374	63.6
61.98834	43.3
71.01382	14.6
89.02438	46.4
92.85880	11.4
95.23782	10.1
101.02426	11.1
113.02495	13.3
115.04027	11.9
119.03515	16.4
138.19550	11.3
148.90527	12.4
164.04852	26.2
179.05534	17.8
190.02791	13.6
205.05101	18.1
223.06117	52.2
373.91776	14.1
531.18530	100.0
597.69189	13.0
629.22223	23.9
725.22076	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21486	0.4
55.24767	0.4
59.01387	2.6
71.01377	1.0
73.39145	0.4
81.03456	5.2
81.30832	0.4
82.82522	0.4
83.01371	0.5
83.05016	5.2
85.02946	10.3
93.03444	4.1
93.66250	0.5
101.02435	0.9
109.02934	2.9
109.03638	0.4
111.04515	45.9
113.02443	0.6
114.57452	0.5
119.05025	17.9
127.04006	100.0
136.79510	0.5
137.02467	7.2
149.06062	0.6
151.00357	0.8
155.03502	64.7
163.04012	24.9
173.04643	0.5
191.05644	2.6
199.02496	74.2
217.03569	0.9
217.08696	14.5
261.07736	3.2
291.08759	0.7
525.19568	0.8
725.23083	15.3
725.35077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
72.25809	0.6
72.39488	0.7
75.41030	0.6
81.03460	6.0
83.04998	5.0
85.02944	8.6
93.03445	4.3
101.02446	0.9
101.91711	0.7
109.02944	3.1
111.04510	40.7
116.20712	0.8
119.03364	0.7
119.05018	20.1
127.04005	100.0
137.02461	7.5
155.03502	63.0
163.04016	24.9
199.02496	75.0
201.11395	1.1
217.08694	14.8
261.07715	3.2
335.23364	0.7
525.19940	3.4
622.57892	0.8
725.22943	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85844	0.4
55.52205	0.4
55.53894	0.5
56.24253	0.4
72.00901	0.8
72.99301	19.1
74.02472	1.9
101.02448	7.4
104.01651	0.5
116.05048	4.8
123.04515	3.4
134.73874	0.5
135.04543	4.2
136.47580	0.6
142.06609	0.9
159.09233	4.2
179.03506	18.1
183.09238	1.0
196.34311	0.5
197.04567	67.4
203.08286	100.0
220.84248	0.5
245.09314	2.3
275.10406	14.5
305.11920	0.6
317.11542	0.8
359.09903	50.8
365.09494	0.6
365.13611	15.7
530.08691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62059	0.7
59.01374	2.4
60.02443	0.8
60.99289	0.9
67.01885	5.3
71.01361	4.2
80.72527	0.9
83.05038	1.1
87.00863	7.9
93.03448	39.3
109.53922	0.9
111.00877	1.4
111.04526	7.2
137.02438	4.9
147.04510	1.0
148.01628	2.2
149.02448	2.2
150.03169	1.1
153.05582	4.0
155.03496	5.3
160.05324	1.2
161.18373	1.1
163.03996	6.0
164.04796	8.6
173.04549	100.0
175.07655	2.4
176.01144	2.0
177.05533	1.3
178.06360	4.1
179.07133	6.0
190.02737	3.7
191.03546	10.9
191.05569	10.2
192.08005	2.1
205.04999	4.5
206.05829	7.2
208.03752	1.5
221.08205	8.8
223.06107	7.3
228.78690	1.1
234.05821	1.0
237.07658	1.4
250.04874	3.9
265.07175	20.7
295.08588	1.2
323.12875	1.9
325.09290	1.9
329.13983	19.8
359.14981	1.3
432.15518	1.0
444.91174	1.0
462.16052	1.1
463.16330	1.0
470.14151	1.3
477.19217	5.0
485.16806	8.5
503.90442	1.1
506.85992	1.1
507.20056	3.5
551.19177	11.3
725.25037	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03954	1.6
59.01369	3.7
60.99292	2.3
67.01894	8.6
69.03435	1.4
70.28672	1.6
71.01414	3.5
87.00871	13.9
93.03454	67.1
96.95993	2.9
101.99035	1.6
111.04533	14.1
114.82188	1.4
129.01926	2.0
148.01706	2.7
150.03194	3.7
153.05573	2.0
155.03491	6.9
160.05283	3.0
163.03987	14.8
163.05161	1.6
164.04791	6.7
173.04550	99.8
175.07683	7.7
178.06340	3.9
191.05675	7.1
193.08682	1.8
285.11401	1.7
320.02759	1.7
329.13943	34.5
401.65887	1.6
447.18011	3.3
477.18842	2.5
551.19208	13.1
725.11859	3.7
725.24658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13269	0.6
59.01367	3.4
60.24516	0.6
61.98826	1.2
63.73596	0.6
71.01376	3.0
71.86011	0.6
88.69382	0.6
89.02405	1.5
101.02451	1.1
106.83185	0.7
107.05109	0.8
113.02411	1.0
133.02951	14.2
134.03683	2.9
135.04533	11.1
161.02443	100.0
175.03990	3.1
177.05647	2.5
178.18991	0.8
179.03485	9.4
193.05046	3.6
221.04544	2.7
235.06111	1.0
243.54143	0.7
251.05550	1.1
331.79315	0.8
487.64291	0.9
703.18640	0.7
707.25031	0.8
725.24487	67.4
725.34906	2.8
735.42297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
71.01383	0.4
79.63676	0.2
89.02435	1.5
101.02459	0.6
108.02176	5.4
113.02405	0.3
123.04513	8.8
135.06668	0.3
137.02454	0.3
151.99916	0.5
152.01152	16.3
155.16313	0.3
167.03493	100.0
194.08823	0.3
226.68489	0.3
249.90045	0.3
297.11911	4.3
329.08853	6.7
725.25397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17968	1.2
59.01366	8.4
60.40292	1.3
63.67607	1.3
71.01361	9.6
71.83183	1.5
78.98748	1.5
85.02943	3.1
89.02438	3.4
92.23113	1.8
101.02424	6.0
105.20248	1.5
111.00890	2.0
113.02404	2.6
119.03529	1.6
137.67691	1.6
149.02426	8.1
152.01076	1.7
153.01930	1.8
153.05576	2.3
163.03940	2.6
164.04793	34.4
167.92792	1.6
176.01144	6.9
179.07111	27.2
184.18201	1.9
190.02679	12.4
191.03491	27.5
191.05315	2.4
191.05586	2.1
193.05026	1.8
194.02197	2.5
195.06512	2.0
205.05055	37.3
206.05869	30.0
208.03773	30.9
216.82324	1.5
221.08214	37.9
222.05318	10.0
223.06119	73.4
236.06960	2.3
237.07623	9.5
250.04805	13.9
252.30591	1.7
265.07159	52.0
286.75000	1.8
295.08386	1.7
463.16046	28.3
485.16785	32.6
505.17276	10.6
555.69745	1.7
650.48096	2.0
713.85632	2.1
725.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92813	3.2
59.01385	39.0
69.49181	3.6
71.01371	36.4
71.59583	3.2
73.02930	9.7
85.02941	7.1
89.02446	53.3
97.02928	5.7
99.00877	9.6
99.42601	3.5
101.02433	17.2
108.47534	3.9
108.85375	4.1
109.18347	4.3
113.02444	6.0
115.04002	4.7
125.02431	18.4
143.23610	4.1
191.05728	4.3
293.08762	21.5
327.21716	5.0
363.91479	4.4
430.33432	4.6
532.55957	5.0
665.24744	100.0
725.25049	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96663	1.0
59.01378	4.8
71.01388	9.1
71.63951	1.1
81.48538	1.2
83.01368	1.2
89.02441	1.9
92.23095	2.2
93.03481	1.7
96.77917	1.2
101.02468	1.7
111.00864	7.1
113.02483	1.7
149.02438	5.1
150.03264	3.0
153.05569	2.2
163.03998	1.6
164.04811	31.0
175.00339	1.9
176.01195	10.8
178.06413	5.4
179.07132	22.5
179.86508	1.3
190.02670	7.7
191.03528	48.0
194.02203	2.5
205.05103	27.0
206.05884	30.9
207.03021	2.8
208.03789	1.9
209.04532	5.7
221.04797	1.5
221.08183	50.9
222.05356	5.9
223.06140	28.6
235.02504	1.4
236.06905	2.8
237.07719	5.9
250.04828	21.8
265.07187	100.0
295.08282	9.0
309.37015	1.4
325.09265	7.1
461.15720	1.3
463.16336	9.1
470.14517	2.5
485.16641	42.5
485.23267	1.8
505.17139	6.8
597.46741	1.2
725.26727	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99992	0.6
59.01382	100.0
60.28417	0.5
60.43406	0.5
65.03896	0.6
67.59801	0.5
71.01382	15.7
73.02931	4.6
83.01374	0.8
85.02953	7.2
85.08450	0.7
87.00834	0.7
89.02431	3.6
93.03506	0.8
95.01372	0.8
99.00858	2.6
101.02447	9.8
101.93727	0.6
107.63551	0.8
113.02434	8.8
119.03507	1.5
123.04520	0.6
142.66444	0.7
143.03508	1.0
149.02390	0.6
156.77655	0.6
159.03058	2.4
161.04543	21.5
163.87424	0.6
164.04738	4.6
179.07129	1.1
205.05197	1.3
223.06177	4.5
339.08838	1.1
369.13531	3.3
393.54352	0.8
463.16248	3.9
485.16592	4.3
503.19070	0.8
531.18970	6.7
534.43988	0.7
605.22681	3.4
627.31909	0.7
665.25006	0.7
725.25751	2.9
725.37201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99992	0.6
59.01382	100.0
60.28417	0.5
60.43406	0.5
65.03896	0.6
67.59801	0.5
71.01382	15.7
73.02931	4.6
83.01374	0.8
85.02953	7.2
85.08450	0.7
87.00834	0.7
89.02431	3.6
93.03506	0.8
95.01372	0.8
99.00858	2.6
101.02447	9.8
101.93727	0.6
107.63551	0.8
113.02434	8.8
119.03507	1.5
123.04520	0.6
142.66444	0.7
143.03508	1.0
149.02390	0.6
156.77655	0.6
159.03058	2.4
161.04543	21.5
163.87424	0.6
164.04738	4.6
179.07129	1.1
205.05197	1.3
223.06177	4.5
339.08838	1.1
369.13531	3.3
393.54352	0.8
463.16248	3.9
485.16592	4.3
503.19070	0.8
531.18970	6.7
534.43988	0.7
605.22681	3.4
627.31909	0.7
665.25006	0.7
725.25751	2.9
725.37201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65769	0.4
59.01384	0.5
64.88860	0.5
67.01897	0.7
69.63390	0.4
71.01361	1.3
72.98296	0.6
92.23093	1.0
93.03442	9.2
111.04493	2.8
119.05021	7.0
126.06331	0.6
137.02473	4.8
139.81339	0.5
150.61810	0.5
155.03494	6.0
158.30605	0.7
163.04004	20.6
173.04546	100.0
191.05646	4.8
215.93030	0.5
292.86063	0.5
337.09326	50.8
483.73828	0.7
502.75397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04329	0.4
56.84169	0.4
59.01385	0.6
67.01888	1.1
69.69083	0.5
71.01380	0.7
81.78674	0.5
87.00872	1.0
89.80743	0.5
93.03449	13.4
96.85986	0.6
99.67836	0.5
111.04509	3.6
119.05029	6.7
137.02463	3.2
155.03549	3.6
163.04016	17.3
173.04559	100.0
191.05644	17.9
193.05081	2.0
194.40906	0.5
213.20026	0.6
337.09357	47.7
367.10474	9.4
461.29849	0.6
536.68512	0.5
541.26971	0.6
563.24121	0.6
706.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90712	0.9
57.03451	29.5
59.01372	2.4
69.03452	4.2
69.27734	0.9
72.40984	0.8
83.05017	8.4
92.22432	1.3
105.07065	1.4
107.05022	10.9
113.02448	9.2
117.18395	0.9
121.10223	4.2
123.08173	3.5
130.13545	1.0
137.09724	1.2
139.11276	5.2
144.80780	0.9
184.60867	1.0
191.14421	2.1
209.15483	26.7
227.55812	1.0
253.14476	100.0
311.11206	1.2
383.60324	1.1
439.62479	1.2
577.97522	1.1
725.30426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97609	1.3
59.01379	2.0
70.49870	1.4
78.95885	1.6
89.02409	1.4
99.70770	1.4
171.10391	2.8
221.56570	1.5
232.07367	2.0
251.01581	1.5
258.09070	2.6
270.16525	1.5
299.12885	7.6
300.13626	1.7
324.17346	8.1
325.14474	17.8
325.21683	11.6
327.19608	11.7
328.20435	6.9
338.02933	1.7
340.20322	2.3
341.21191	3.0
367.19147	100.0
368.19937	97.5
369.20773	22.6
383.22537	3.1
399.21881	12.1
400.22516	14.4
401.23495	13.9
483.00381	2.1
501.82846	1.6
531.25586	2.0
562.28015	9.3
563.28711	83.3
563.37665	2.8
627.66321	1.6
725.34021	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01384	28.2
61.98796	0.8
68.74757	1.1
71.01373	16.2
71.01732	1.1
73.02947	2.2
83.01382	1.2
84.19092	1.0
85.02943	17.5
85.03334	1.0
87.00888	0.9
87.04541	1.3
89.02438	13.4
97.02959	1.3
97.06612	2.3
101.02442	11.3
103.04029	1.9
113.02419	9.6
119.03541	1.8
125.06087	1.9
126.21423	0.9
143.03497	1.7
161.04753	1.6
163.06178	4.7
166.86195	1.0
171.10252	7.8
179.05673	1.2
183.13911	28.5
189.05666	2.0
191.05582	1.4
195.13824	1.2
197.11917	1.3
204.07997	2.3
206.20975	1.1
211.13425	22.7
223.17046	2.6
227.08337	1.3
229.14427	7.4
233.15608	1.5
235.08344	1.4
239.13022	1.1
251.16478	8.4
267.16412	1.1
269.17667	2.4
283.19113	1.7
291.19833	6.7
294.09030	15.8
308.06973	1.4
309.11307	12.7
309.21005	4.7
323.09470	5.6
324.10092	12.3
327.21808	100.0
339.12357	30.3
339.16083	1.7
415.14642	35.8
503.19235	24.6
576.48529	1.2
647.69708	1.1
665.38007	2.2
725.36334	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.45152	0.7
57.03447	1.6
59.01102	1.6
59.01382	33.7
60.15562	0.8
60.97735	0.9
65.67361	0.8
71.01372	16.8
73.02946	2.2
79.97796	1.0
82.71540	0.8
85.02946	13.8
87.00882	1.3
89.02435	22.3
91.81216	0.9
97.02976	1.0
97.06608	4.1
97.50076	1.0
98.39877	1.0
99.00875	1.2
101.02436	10.5
103.04001	1.3
113.02434	5.0
114.08202	0.9
116.92830	0.9
119.03504	3.7
119.05028	1.1
125.02477	1.9
127.03976	2.1
127.11224	1.1
137.09723	4.4
145.05154	0.9
145.34026	0.9
155.03500	1.4
161.04427	1.1
163.06117	4.9
168.60179	1.0
171.10268	24.9
179.05536	1.0
183.13927	18.5
195.13956	1.5
209.11699	1.7
211.13405	22.5
221.11803	2.3
223.17000	1.9
229.14461	12.7
239.12772	1.4
251.16559	2.1
257.01099	1.0
291.19745	6.3
294.09030	4.8
302.43866	1.0
309.11386	4.8
309.20755	5.2
317.69144	1.2
324.10168	4.7
327.21793	100.0
339.12430	9.5
415.14688	32.1
469.06177	1.0
503.19244	29.2
721.86847	1.2
725.36322	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23129	0.5
52.49869	0.4
57.99647	0.5
59.01365	0.5
63.96240	0.7
71.01372	3.7
73.02934	0.9
78.98593	4.0
79.95743	3.0
80.96518	37.4
84.37189	0.5
85.02960	0.8
87.00894	0.8
94.98085	11.3
96.95982	0.9
97.00240	0.6
97.02918	2.7
101.02426	3.7
106.98073	0.9
108.86539	0.5
111.29052	0.6
115.01065	0.6
122.97562	2.5
125.02421	2.8
125.09703	2.7
126.38454	0.6
134.97589	3.8
136.99185	1.3
137.53386	0.6
148.99146	4.5
152.98619	4.9
164.98624	19.8
187.09744	2.9
197.32832	0.6
201.04379	0.6
206.99728	3.6
225.00752	36.5
286.88986	0.6
384.71011	0.6
469.13824	2.8
537.27374	4.0
725.37994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00766	0.6
63.92984	0.6
69.34184	0.6
71.01364	3.0
73.02924	0.7
78.98584	3.8
79.95725	4.9
80.96514	36.6
85.02947	1.5
87.00858	1.2
94.98096	9.0
97.02918	1.3
99.88445	0.6
101.02442	2.9
101.69102	0.7
106.98044	1.1
115.13512	0.6
122.97550	1.4
125.02424	3.3
125.09709	3.0
134.97536	4.6
148.99097	5.4
152.98622	8.3
164.98648	17.5
167.00050	0.8
187.09737	1.7
206.99693	3.4
211.09865	0.7
224.98584	1.2
225.00746	34.6
290.29169	0.8
469.13870	6.9
537.27557	1.5
725.37952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37540	0.7
57.87563	0.7
59.01366	1.7
61.04056	0.8
71.01373	4.3
78.98581	2.1
79.95734	3.8
80.15784	0.9
80.96514	36.3
85.02927	1.8
90.82913	0.8
94.98086	10.9
95.21278	0.9
96.42641	1.0
97.02919	1.3
101.02432	1.9
106.98055	1.6
111.30111	0.9
116.62766	1.0
122.97590	1.8
125.02428	2.2
125.09687	2.2
127.03965	0.8
134.97563	1.9
148.99101	6.4
149.09705	1.2
152.98593	6.4
152.99667	1.0
164.98618	19.0
167.10736	5.4
167.12073	1.0
170.77483	1.0
175.05423	0.8
202.30650	0.9
206.99675	4.5
211.09735	1.3
225.00749	37.9
229.10822	4.3
255.23386	1.4
277.21564	1.8
469.13522	6.2
537.27075	2.2
685.01678	1.1
725.38043	100.0
729.90247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
71.87926	0.9
78.95897	27.7
96.96955	5.3
127.11293	1.2
152.35275	1.0
152.99603	16.9
171.10269	79.7
219.78276	1.1
223.00133	6.8
241.01212	29.3
255.23325	63.4
259.02191	2.0
277.26282	1.3
290.41458	0.9
315.04718	1.0
465.13696	1.2
725.38922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
72.87476	0.7
78.95901	22.4
88.89375	0.7
88.90776	0.7
90.66745	0.7
96.96965	6.9
114.76580	0.7
116.92834	0.8
127.11327	1.5
132.94928	0.8
141.71561	0.8
152.99600	13.7
171.10272	76.9
178.53746	1.1
182.16949	0.7
223.00150	5.3
241.01215	28.0
255.23331	59.1
255.26045	1.9
259.02243	3.2
725.38898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.8
61.98820	2.1
71.01368	19.6
73.02938	6.5
87.00848	1.8
89.02420	22.3
97.02983	2.6
101.02438	22.6
106.04325	1.5
113.02431	11.6
119.03500	7.7
125.02411	3.9
152.99608	2.9
161.04504	1.8
234.82278	1.6
235.08205	3.6
248.87572	1.8
267.23291	100.0
302.33798	1.7
397.13538	79.4
415.14603	18.5
553.05493	2.2
571.11945	2.0
605.49445	2.3
665.37384	37.9
725.09729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60191	0.9
59.01381	31.3
66.24892	0.9
71.01383	6.9
73.02937	0.9
75.00870	1.3
79.93070	0.9
80.36103	1.1
85.02956	3.5
89.02441	5.2
95.56281	0.9
99.00859	1.4
101.02426	5.2
113.02431	1.6
119.03477	1.3
139.54430	1.0
149.02379	1.3
161.04596	1.4
163.04010	1.2
164.04755	5.1
170.44858	1.1
179.07156	1.8
180.04332	1.1
190.02774	1.6
191.05612	4.4
195.06691	1.7
205.05016	5.3
223.06097	3.6
229.14401	6.5
273.16418	1.0
274.82504	1.0
286.32816	1.0
327.21893	1.7
391.29916	1.4
401.28818	1.2
409.31256	16.4
417.28088	1.4
417.84967	1.1
421.31174	8.3
441.33795	6.8
453.30377	9.0
457.33435	2.1
463.15692	1.4
473.32831	7.1
485.16611	14.2
485.32861	5.1
503.33859	100.0
545.35089	1.4
665.39233	10.2
725.23669	7.6
725.42303	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17760	0.2
59.01373	0.5
64.42761	0.2
70.67654	0.2
71.70908	0.2
75.00865	0.2
132.69771	0.2
142.46648	0.3
160.04039	100.0
163.82465	0.3
178.08960	0.3
197.04585	0.5
202.83795	0.3
204.03032	6.2
207.59552	0.2
222.07729	0.3
302.27322	0.2
315.06967	0.3
316.07523	0.3
359.09879	0.3
366.08325	49.2
402.55579	0.3
666.06000	0.3
675.64215	0.3
680.15631	0.3
687.84033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
58.94145	0.5
59.01389	4.4
66.91650	0.5
71.01386	2.4
85.02943	3.6
89.02441	3.2
92.78432	0.5
101.02408	1.1
115.03996	0.8
160.03976	2.6
171.10292	0.7
183.13965	4.6
184.14331	2.0
204.07826	0.5
211.13426	3.4
212.13718	1.3
229.14568	0.9
251.16814	0.7
252.16873	0.6
266.04373	0.9
278.04434	0.7
279.05347	0.9
280.06061	4.1
291.05276	0.6
292.06351	1.1
294.04095	8.4
295.09320	1.3
308.05688	27.1
309.06534	15.9
324.08820	100.0
327.21780	9.2
328.22128	10.8
339.12405	2.3
340.12695	3.1
368.07809	26.9
415.14600	3.8
416.15005	2.6
436.57303	0.6
503.18515	0.6
504.19534	2.6
545.74969	0.6
610.68854	0.6
628.16736	1.1
698.60461	0.7
726.20563	17.4
726.36212	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43180	2.1
57.21523	2.0
92.23067	3.1
190.37302	2.5
215.42213	2.7
256.14954	2.5
315.05298	3.6
330.07724	5.8
344.09186	3.2
348.08887	5.5
362.10318	2.4
363.11282	4.0
376.11786	3.4
472.17773	46.0
487.20160	19.1
490.18515	3.2
492.23630	3.1
502.22372	29.6
504.20209	5.7
505.20996	3.0
520.23425	50.2
564.22516	27.2
596.81677	2.4
726.27722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.58507	2.0
68.15095	2.0
71.01380	35.5
73.02946	3.7
85.02940	15.7
89.02428	21.6
95.01353	2.4
96.35545	2.2
101.02427	24.2
113.02428	22.4
119.03545	2.9
119.53216	2.4
123.57391	2.3
138.72871	2.3
149.09752	4.4
154.63280	2.3
159.03131	2.4
161.04573	17.0
167.10774	4.0
262.08710	3.5
277.12924	11.1
288.06760	3.1
288.63538	2.6
306.07767	5.3
318.07574	4.3
320.56995	2.6
329.16119	37.8
347.17224	10.9
567.62305	2.8
666.25580	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.58507	2.0
68.15095	2.0
71.01380	35.5
73.02946	3.7
85.02940	15.7
89.02428	21.6
95.01353	2.4
96.35545	2.2
101.02427	24.2
113.02428	22.4
119.03545	2.9
119.53216	2.4
123.57391	2.3
138.72871	2.3
149.09752	4.4
154.63280	2.3
159.03131	2.4
161.04573	17.0
167.10774	4.0
262.08710	3.5
277.12924	11.1
288.06760	3.1
288.63538	2.6
306.07767	5.3
318.07574	4.3
320.56995	2.6
329.16119	37.8
347.17224	10.9
567.62305	2.8
666.25580	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03572	1.0
52.63794	0.9
59.01384	100.0
74.15006	1.3
80.05230	1.1
85.02934	2.0
94.77522	1.2
101.02451	1.3
123.51270	1.3
126.86749	1.4
229.94577	1.3
248.69614	1.5
305.06729	2.6
320.09387	9.2
331.17310	2.0
391.19644	2.0
513.64929	1.4
666.29163	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.13247	0.6
64.13772	0.6
71.01372	5.2
72.68583	0.7
73.02937	1.1
75.91941	0.7
81.18262	0.7
85.02952	1.5
89.02431	2.9
99.00924	0.9
101.02429	3.7
103.14531	0.7
113.02434	5.2
115.04036	0.7
147.22197	0.7
159.00626	0.6
161.04530	5.2
252.34431	0.7
259.24417	0.7
261.35959	0.8
264.01141	0.7
270.42206	0.8
320.09314	0.8
331.17703	12.3
345.19287	1.7
391.19778	3.9
411.99487	1.0
666.29041	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28790	0.8
54.51782	0.8
59.01384	100.0
66.21107	0.9
71.01375	5.7
71.46776	1.0
83.45527	1.0
85.02943	1.3
90.87225	0.9
101.02442	5.4
113.02462	1.4
118.65477	1.1
161.04552	7.3
208.15524	1.2
270.49561	1.1
305.06940	2.1
320.09323	5.4
331.17618	4.3
337.75769	1.4
388.76831	1.2
391.19901	2.0
591.49231	1.2
666.29254	27.5
726.31531	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43029	0.8
59.01383	12.0
71.01369	8.6
74.18081	0.9
75.09718	1.0
81.17086	0.9
86.07972	0.9
89.02427	12.7
90.45596	0.9
97.06576	1.3
101.02437	5.3
106.96156	1.0
113.02419	2.4
119.03486	5.7
125.09716	21.2
131.04652	2.1
132.80110	1.0
138.41518	1.0
142.12372	1.6
149.04433	1.0
150.03093	1.0
165.05554	6.7
168.10242	1.6
176.98331	1.0
179.05684	9.4
186.11357	100.0
186.77275	1.0
491.19308	1.2
539.21222	8.2
736.73944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.5529
Annotation	Cerebroside B
Peak:m/z	Relative Intensity
53.62520	3.4
55.06844	2.7
59.01387	47.9
65.06989	2.8
71.01389	15.4
89.02431	23.9
101.02435	5.8
113.02450	6.3
133.24185	3.3
137.25905	3.9
179.33459	3.3
192.14848	3.2
199.65588	3.4
212.89388	3.8
225.22253	14.4
243.91736	3.5
316.31366	4.5
726.55377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.7
63.27042	0.6
73.02940	11.9
83.05015	1.7
85.02937	1.3
93.03452	35.1
99.00893	5.9
99.04497	3.5
111.04515	22.4
126.33654	0.6
129.01909	3.2
133.01479	1.3
137.02448	14.0
139.47681	0.7
143.03505	4.8
155.03500	18.2
173.04552	100.0
191.05663	3.0
384.97617	2.5
385.05472	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.79964	1.2
60.87970	1.3
71.01395	1.5
72.45833	1.4
72.48740	1.5
72.99304	43.3
77.96605	1.4
85.65499	1.5
87.84982	1.4
95.99875	1.7
119.49233	1.5
123.04527	32.6
134.03735	3.5
135.04501	19.8
151.03972	6.3
164.04800	2.1
165.05540	1.7
176.01096	2.7
179.03517	54.4
191.03522	27.0
191.05611	12.6
193.05069	7.9
197.04568	66.6
205.05075	25.5
209.04456	3.0
211.06100	14.3
223.06192	8.8
239.05650	2.6
246.57651	1.7
286.64120	1.9
286.79172	1.8
353.08752	7.0
367.10178	11.5
458.09702	1.8
565.15680	100.0
607.16803	7.2
671.61401	2.0
727.20764	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07537	0.3
58.63954	0.4
59.01360	0.7
67.01876	1.0
69.94576	0.4
71.01387	3.0
93.03448	11.4
99.04495	0.5
111.04500	3.6
115.00365	2.2
133.01436	6.4
134.03729	2.2
137.02451	4.6
149.06128	3.4
155.03502	5.8
173.04544	100.0
178.02753	2.7
181.14960	0.5
193.05063	20.3
193.06818	0.9
309.49075	0.5
529.15680	49.3
744.10846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11615	0.3
57.03442	0.4
59.01369	0.5
61.49708	0.3
62.79842	0.4
67.01894	1.3
71.01365	2.1
72.99290	0.4
76.26024	0.4
79.64163	0.3
83.05041	0.4
93.03446	12.4
94.62188	0.4
111.00871	0.6
111.04487	3.3
133.01408	0.7
134.03781	3.7
137.02469	3.9
149.06081	5.3
155.03484	5.5
173.04546	100.0
178.02742	1.8
193.05072	21.8
195.02646	0.4
197.04539	0.4
243.35353	0.3
254.27028	0.4
269.24594	0.4
348.38620	0.4
355.10452	0.5
378.98666	0.4
496.96396	0.4
529.15692	48.1
559.69940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
67.01897	0.7
69.82145	0.4
71.01379	2.5
76.81931	0.4
80.84426	0.4
81.03439	0.3
93.03445	11.4
109.02985	0.4
111.00880	0.5
111.04491	3.5
113.02377	0.5
115.95387	0.4
133.01425	0.5
134.03726	3.1
137.02473	4.4
149.06081	5.0
155.03499	5.1
173.04547	100.0
178.02751	2.6
193.05092	19.4
197.04575	0.8
229.98482	0.4
242.28242	0.4
254.92213	0.4
349.11523	0.8
355.10443	0.6
529.15692	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.79964	1.2
60.87970	1.3
71.01395	1.5
72.45833	1.4
72.48740	1.5
72.99304	43.3
77.96605	1.4
85.65499	1.5
87.84982	1.4
95.99875	1.7
119.49233	1.5
123.04527	32.6
134.03735	3.5
135.04501	19.8
151.03972	6.3
164.04800	2.1
165.05540	1.7
176.01096	2.7
179.03517	54.4
191.03522	27.0
191.05611	12.6
193.05069	7.9
197.04568	66.6
205.05075	25.5
209.04456	3.0
211.06100	14.3
223.06192	8.8
239.05650	2.6
246.57651	1.7
286.64120	1.9
286.79172	1.8
353.08752	7.0
367.10178	11.5
458.09702	1.8
565.15680	100.0
607.16803	7.2
671.61401	2.0
727.20764	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
59.45529	0.3
67.01897	0.6
69.03468	0.4
71.01387	1.7
78.81245	0.3
81.64876	0.3
85.02969	1.2
92.23117	0.3
93.03448	9.9
102.60495	0.4
111.00903	0.4
111.04508	3.2
116.82510	0.3
134.03757	0.3
135.04530	37.9
137.02435	5.1
155.03506	7.2
161.02440	2.6
163.47162	0.3
173.04555	100.0
179.03511	66.3
190.76733	0.3
191.05634	42.7
203.94817	0.3
225.36700	0.3
353.08832	93.9
405.01099	0.4
587.18201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.231
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	6.3
72.99310	1.0
74.52953	0.6
85.60667	0.7
89.02429	0.9
93.36895	0.6
97.61243	0.6
98.04800	0.5
115.00358	34.9
133.01424	100.0
160.18443	0.7
186.66342	0.7
187.48178	0.7
248.71881	0.7
695.29413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47360	0.3
51.51019	0.3
71.01367	0.8
71.57751	0.3
85.02951	0.6
97.20010	0.4
101.02428	0.5
108.02164	18.2
109.02941	13.7
113.02462	0.7
119.58512	0.4
121.03001	0.5
125.81448	0.4
151.04036	1.7
152.01144	45.2
153.01929	26.7
155.29269	0.4
163.03993	1.8
165.01930	2.0
197.04489	0.8
225.03960	0.4
315.07245	100.0
361.17850	0.5
542.38800	0.4
581.31055	0.5
629.52625	0.4
652.64795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12484	0.3
57.18900	0.4
70.89670	0.4
72.98888	0.9
72.99302	27.0
79.75739	0.4
82.40395	0.4
84.58029	0.4
102.95439	0.4
123.04506	5.5
135.04527	7.1
153.01868	0.6
160.04051	0.9
161.04514	0.6
179.03497	30.1
197.04567	100.0
215.05568	0.6
269.33017	0.4
315.07153	1.0
359.09872	73.5
367.11758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	0.9
61.27387	0.6
67.01899	1.4
71.01361	0.9
80.15845	0.7
87.00880	5.5
93.03452	25.0
107.20534	0.6
111.04533	4.9
113.02448	0.7
126.39532	0.8
134.03720	2.9
153.28122	0.7
173.04532	12.2
190.09959	1.5
191.05630	100.0
193.05061	8.6
219.22305	0.7
227.16432	0.7
241.99219	0.8
242.02061	0.7
246.51472	0.8
266.60056	0.7
299.51770	0.9
340.49164	0.7
346.30463	0.9
367.10376	67.9
368.10529	0.9
394.56085	0.8
397.15149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88076	1.0
56.83038	1.1
59.01375	6.2
59.48071	1.0
62.71659	1.1
67.43808	1.2
71.01374	5.4
73.02969	1.3
85.02944	2.1
89.02451	1.7
89.99983	1.2
91.71120	1.1
101.02433	4.8
113.02484	2.3
114.96445	1.2
115.01430	1.2
134.03815	1.2
147.00916	1.8
149.02472	10.5
151.00150	1.1
164.04799	25.4
165.05623	1.2
175.00374	7.0
176.01222	3.1
179.07185	2.7
190.02748	77.1
191.03523	15.7
205.05080	100.0
208.03795	2.8
209.04626	4.6
223.06110	12.1
268.01828	1.4
277.93118	1.2
315.12305	1.8
326.11768	2.1
327.12537	1.7
329.13885	5.4
329.23010	2.1
341.13968	5.4
373.84604	1.5
475.16766	1.4
476.16895	2.7
491.19150	2.6
503.19461	2.1
509.37091	1.3
521.28162	1.8
697.25134	62.1
709.25116	42.5
727.25873	39.7
727.38312	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76836	0.8
56.52231	1.0
56.65555	0.9
65.60175	1.0
71.01378	1.5
74.20951	1.0
93.95091	1.0
97.64869	1.1
136.05301	1.8
149.02428	1.6
150.03215	1.4
151.53448	1.1
160.05316	9.4
163.04048	2.4
164.04770	16.6
164.43492	1.0
171.10274	1.3
175.00352	4.1
175.07623	21.1
177.05542	2.3
178.06337	13.8
179.07118	4.6
188.51105	1.2
190.02747	40.4
191.03671	1.6
192.08012	3.9
193.08670	1.9
205.05077	87.6
210.85268	1.2
223.06111	15.7
329.13998	24.3
329.23373	4.7
367.10373	24.5
394.22772	1.2
664.58801	1.4
697.25269	14.7
705.06458	1.2
727.26178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09396	1.1
52.26828	1.3
53.26413	1.1
54.43805	1.0
59.01376	11.5
71.01389	7.0
86.88110	1.3
89.02424	5.6
90.08804	1.3
101.02436	3.3
113.02473	2.8
118.06457	1.4
135.04468	1.3
149.02448	8.7
164.04797	37.1
165.51886	1.4
178.06287	1.8
179.07159	18.7
181.05063	1.6
190.02762	22.3
191.03418	2.6
193.05035	2.2
194.45251	1.5
204.04245	1.5
205.05081	65.4
206.05843	30.0
208.03786	15.2
221.06059	2.0
221.08195	53.3
222.05336	1.5
223.06140	83.5
232.03621	1.5
237.07597	11.3
244.64767	1.7
247.06143	6.1
250.04871	12.4
255.10207	1.7
265.07184	99.6
270.12695	3.1
283.09906	10.0
294.08963	2.1
295.08170	44.2
296.10492	2.6
298.12244	11.7
310.12195	1.7
311.09314	88.0
311.12711	3.0
325.09271	62.4
326.11612	82.5
341.13965	51.1
367.10379	3.0
385.11444	100.0
386.34189	1.7
501.42316	1.6
665.01245	1.8
727.26434	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
60.05947	0.8
65.22354	0.9
71.01378	3.7
73.02948	1.2
85.02943	1.4
89.02434	2.1
91.99864	1.0
101.02444	3.7
113.02426	1.7
116.92803	1.0
133.01440	0.9
149.02451	4.1
150.03214	1.2
160.05272	10.1
161.05984	1.2
163.04010	1.5
164.04791	19.7
171.10272	1.6
175.00348	4.1
175.07649	23.1
177.05598	3.6
178.06351	12.0
179.07158	4.5
188.67767	0.9
190.02733	45.0
191.03473	1.8
192.07903	7.8
193.05072	1.5
193.08607	3.8
205.05074	88.5
208.03767	1.1
211.13420	12.6
221.08325	1.4
223.06126	19.2
223.46103	0.9
229.14502	6.7
255.65356	1.1
329.14001	28.1
329.23364	24.7
352.07822	1.3
367.10400	22.3
415.14825	5.8
454.89880	1.0
470.21466	1.1
718.76703	1.2
727.26227	100.0
727.37781	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55621	0.8
57.03395	0.8
59.01382	5.2
60.75302	0.8
71.01382	5.3
72.99215	0.8
73.02930	1.4
74.47334	0.8
78.73402	0.9
80.40999	1.0
85.02938	1.6
89.02448	4.4
99.08137	1.4
101.02447	5.7
113.02434	1.4
116.92844	18.9
117.01888	1.7
117.92877	7.5
118.92661	4.9
119.03452	1.3
130.39970	1.1
133.01457	4.0
139.11279	4.9
149.02417	4.7
157.12350	1.2
160.05240	2.0
164.04768	16.3
171.10251	14.8
175.00362	1.3
175.03903	1.3
175.07643	5.1
177.05595	1.2
178.06413	2.5
179.03467	1.9
179.07141	4.3
190.02728	51.6
191.03477	1.5
192.07849	1.3
205.05061	91.3
208.03922	1.5
211.13390	12.1
223.06114	16.0
229.14404	8.9
269.08240	1.5
311.09311	7.1
314.11560	17.6
326.11542	15.0
329.14014	23.8
329.23364	44.3
341.13995	1.9
344.12665	1.1
367.10361	17.5
415.14636	9.8
488.25122	1.4
688.42316	1.2
727.26044	100.0
727.37915	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73645	0.9
59.01383	77.3
67.92632	1.0
71.01385	25.2
71.82257	1.0
73.02287	1.2
75.23904	1.0
78.88602	1.0
81.03447	1.3
83.01382	1.4
85.02955	9.8
89.02443	11.4
97.02913	1.4
99.04558	1.4
101.02438	16.3
101.06055	1.7
107.96078	1.1
113.02450	27.5
115.03999	8.7
119.03501	6.9
135.04535	18.7
135.87273	1.2
161.02446	8.3
161.04543	5.5
173.04536	4.9
179.03508	31.7
179.05640	5.1
191.05630	100.0
245.10139	1.4
251.07648	5.2
263.11359	4.9
278.34763	1.4
279.10870	4.3
305.12421	38.8
335.07776	2.1
349.11426	24.6
353.08951	1.7
381.10123	1.8
541.15771	1.6
613.17828	6.0
727.21033	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83980	0.8
59.01381	37.7
63.59982	0.9
71.12992	0.8
88.98788	3.6
92.22474	1.0
96.96021	7.5
101.71649	0.9
104.82986	0.9
130.07588	0.9
149.02408	9.0
149.09886	1.0
150.03185	13.5
157.27701	0.9
159.20755	0.9
164.04774	15.9
165.05553	62.2
175.03963	2.2
180.04253	2.0
193.08647	1.8
195.06653	17.8
196.07370	1.9
211.09770	2.2
344.12741	16.2
359.15021	43.9
369.84204	0.9
407.17142	100.0
653.85254	1.2
727.24744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83980	0.8
59.01381	37.7
63.59982	0.9
71.12992	0.8
88.98788	3.6
92.22474	1.0
96.96021	7.5
101.71649	0.9
104.82986	0.9
130.07588	0.9
149.02408	9.0
149.09886	1.0
150.03185	13.5
157.27701	0.9
159.20755	0.9
164.04774	15.9
165.05553	62.2
175.03963	2.2
180.04253	2.0
193.08647	1.8
195.06653	17.8
196.07370	1.9
211.09770	2.2
344.12741	16.2
359.15021	43.9
369.84204	0.9
407.17142	100.0
653.85254	1.2
727.24744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28980	0.7
59.01105	1.3
59.01386	35.1
60.62568	0.7
61.98826	1.7
71.01382	18.8
73.02944	21.6
83.01392	5.3
85.02946	6.0
87.00877	0.8
89.02448	18.9
94.03001	1.0
95.01385	1.3
96.76721	0.8
101.02441	25.7
109.68666	0.8
113.02430	12.9
119.03487	5.7
119.05014	5.2
125.02497	0.9
131.03491	1.1
135.11804	2.0
143.03497	1.3
145.02974	1.3
147.08157	43.4
151.07648	1.6
161.04602	2.0
163.04021	27.9
179.05606	6.3
190.02657	1.3
205.05103	1.4
211.13481	2.1
229.14485	1.7
299.16541	11.6
301.17981	0.9
317.17545	1.5
328.22198	1.2
329.23480	8.0
415.14493	1.3
479.22742	7.4
503.22763	1.7
521.24011	100.0
727.26563	4.7
727.38782	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76640	0.6
52.27141	0.5
53.88469	0.6
59.01385	28.8
59.27398	0.6
61.98835	1.2
64.24353	0.6
64.26806	0.6
71.01376	12.4
71.35232	0.7
73.02943	25.6
74.86430	0.6
78.95937	0.8
83.01382	3.0
83.54982	0.7
85.02922	2.5
87.00877	0.7
89.02440	10.1
95.01361	0.8
96.11547	0.7
99.00929	0.8
101.02441	21.7
113.02438	3.7
116.46620	0.8
119.03494	3.8
119.05037	4.6
125.02456	1.1
127.04025	0.8
131.03508	0.7
135.11797	3.2
147.08162	33.8
151.07631	1.1
155.03456	1.0
161.04552	3.2
163.04018	25.7
170.85262	0.7
171.10248	0.8
179.05611	4.1
299.16507	9.1
301.18149	1.6
327.21713	1.0
368.68582	0.7
479.22635	4.9
503.22684	2.8
521.23962	100.0
615.38165	0.8
625.81598	0.7
727.36554	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31416	4.5
59.01371	9.4
62.00557	5.0
66.26242	5.3
73.67092	5.6
91.87954	5.4
92.52204	6.0
125.94419	5.7
142.65543	5.8
163.02058	6.5
198.25067	5.8
202.33679	5.6
206.15868	5.8
206.76648	5.9
225.14301	5.7
281.28488	6.4
727.33142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29939	1.2
58.55072	0.9
59.01374	3.0
74.23863	1.3
82.57297	1.1
87.70027	1.2
89.02432	1.5
101.02430	2.0
164.04686	1.3
293.21130	12.2
299.49557	1.4
391.87030	1.9
397.13507	2.7
407.95819	1.6
415.14429	5.8
465.27673	1.3
500.93225	1.3
520.06067	1.4
543.02985	1.6
691.35602	14.7
727.33203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16116	1.9
59.01372	8.8
62.43164	2.1
78.59924	1.9
113.99528	2.4
118.34282	2.3
275.20132	3.2
293.21213	3.9
343.42456	2.4
377.16666	2.6
397.13406	9.1
415.14517	3.8
691.35358	4.2
727.32983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
66.83086	0.9
89.02435	1.4
96.86665	0.9
101.02422	1.5
108.63718	1.0
121.45119	1.0
147.40407	1.0
171.77568	1.0
183.13872	4.9
210.21153	1.1
211.13284	1.2
269.21179	1.5
293.21286	11.2
309.20938	1.4
397.13470	5.1
415.14490	4.0
538.16028	1.3
644.60864	1.4
691.35541	14.5
727.33167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72940	1.3
52.00775	1.2
52.93756	1.2
59.01362	1.8
86.16009	1.3
101.02430	2.0
205.24475	1.6
206.22047	1.4
236.42798	1.5
293.21198	18.3
295.90738	1.4
346.38333	1.6
397.13422	3.2
645.89703	1.6
691.35431	14.0
727.33295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.34
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98513	0.7
59.01381	72.8
62.12309	0.9
62.56294	0.7
71.01378	32.0
73.76659	0.7
76.83845	0.9
83.01366	1.2
85.02934	4.4
87.00883	0.9
89.02435	62.6
90.82890	0.9
95.01382	0.9
97.02929	3.8
101.02438	42.0
113.02438	21.3
115.03992	32.1
115.17207	0.8
119.03491	27.9
120.09621	0.9
124.76209	0.8
131.03546	1.0
136.04793	1.0
143.03545	1.0
149.04541	1.1
191.28146	1.1
198.00702	0.9
279.10864	62.2
349.14868	1.0
365.66882	0.9
377.14548	100.0
543.83221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27535	1.4
78.95901	40.7
96.96957	9.6
103.32251	1.7
111.08159	37.9
136.72450	1.8
143.56589	1.9
145.77141	1.7
152.99594	100.0
171.00642	2.2
173.08186	50.5
202.58781	1.7
241.01228	22.6
255.23299	18.4
287.57349	1.8
308.35300	1.7
397.17465	2.6
408.45056	1.9
409.23550	29.9
603.24237	1.9
643.02960	1.8
703.96747	2.3
727.36157	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	34.6
89.02436	2.1
95.18915	1.3
96.96936	5.5
98.48580	1.4
101.02411	1.9
101.57434	1.4
111.08150	58.9
113.01563	1.4
113.83112	1.8
125.09728	1.2
129.09151	1.4
152.99596	28.4
159.42227	1.5
173.08186	74.2
177.15318	1.3
223.00043	2.2
241.01215	32.8
255.23294	25.9
259.02063	1.8
260.90695	1.6
267.23279	2.8
268.23630	2.2
275.35413	1.9
309.07520	2.0
372.69818	1.4
397.13235	2.1
409.23483	2.8
544.45715	1.4
645.49786	1.6
667.38068	2.9
695.19495	1.7
727.36621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25297	1.6
54.99181	1.6
59.01391	9.9
64.66946	1.8
64.98190	1.5
66.51813	1.5
68.77906	1.8
71.01404	8.8
84.16888	1.7
85.03010	2.1
86.40298	2.0
89.02462	4.7
99.08172	2.5
101.02469	8.3
113.02470	3.7
116.92899	2.6
139.11305	11.6
149.02440	3.3
150.07700	2.6
160.05338	8.3
164.04839	10.0
171.10258	43.3
175.07680	9.1
190.02702	31.5
190.91467	1.8
192.07994	2.0
205.05061	50.2
205.06779	2.5
211.13452	18.2
223.06033	14.4
229.14421	19.2
288.24030	2.0
305.21533	2.1
329.14099	11.3
329.23380	100.0
329.27228	4.2
367.10403	17.0
415.09689	3.0
415.14325	17.2
727.26068	62.4
727.37872	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.4
65.56182	0.9
71.01379	22.7
72.99298	1.3
73.02950	4.9
76.31502	0.9
80.31479	1.0
83.01390	1.6
85.02956	5.0
87.00858	2.6
89.02438	31.2
97.02953	5.3
101.02435	24.3
108.02157	1.2
111.10915	1.2
112.36146	1.2
113.02447	12.2
119.03500	7.3
125.02445	6.2
127.79888	1.3
143.03517	4.6
161.04524	2.1
162.25285	1.1
179.05643	1.7
199.13251	1.2
221.06636	1.8
230.05838	1.3
235.08311	6.1
269.24884	100.0
389.53503	1.2
397.13568	79.7
415.14624	13.2
623.02826	1.5
623.13538	1.3
667.39313	50.9
727.42542	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.6
59.01385	31.9
63.96232	1.3
71.01382	25.7
73.02937	2.7
73.51305	1.1
78.95890	2.4
83.01356	1.6
85.02943	6.6
87.00894	6.2
89.02444	33.0
90.83649	1.3
97.02951	6.0
99.00896	2.4
101.02452	25.1
108.77409	1.2
113.02453	11.0
119.03478	7.2
119.16582	1.2
125.02456	10.5
143.03545	1.7
152.99570	1.5
161.04605	2.4
179.05644	1.9
235.08231	8.9
253.09315	1.8
269.24899	100.0
397.13562	98.3
415.14716	22.7
667.39355	56.9
727.44708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12537	0.6
54.27422	0.6
56.33586	0.6
60.95500	0.6
78.95901	100.0
96.95991	0.9
96.96948	6.7
115.40137	0.8
134.63222	0.7
152.99585	45.3
165.74216	0.6
171.00540	0.9
171.10306	5.8
175.16351	0.8
183.10251	3.1
195.13853	0.9
218.16486	0.7
249.18427	0.9
255.23346	8.9
256.23602	4.6
267.19659	14.2
277.21844	8.3
279.23325	37.3
293.17545	4.5
293.20798	1.2
295.22794	12.0
311.18753	1.5
311.22427	1.1
316.19250	1.4
317.19479	0.9
334.20297	1.1
425.26913	1.6
431.22537	2.6
709.40271	1.7
727.43262	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29811	0.2
56.99717	0.2
57.50617	0.2
65.57085	0.2
74.90115	0.3
96.95998	21.3
104.21812	0.3
107.81064	0.3
138.02005	0.3
138.21562	0.3
152.99608	1.8
229.62515	0.3
293.17960	100.0
433.23660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70579	0.7
52.03583	0.6
54.92726	0.7
58.72347	0.7
59.01381	22.3
69.57001	0.7
71.01377	1.4
73.02950	0.8
73.48574	0.7
74.32604	0.6
85.53690	0.7
89.02422	2.7
101.02431	2.9
139.21729	0.8
151.11267	4.4
161.04575	1.1
169.12335	36.7
171.10271	71.8
213.11369	4.5
231.12405	4.1
239.06990	0.8
253.09315	4.7
277.21768	35.0
413.28485	0.8
559.51941	0.8
727.42883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05314	1.6
59.01387	28.3
61.98839	2.4
63.96241	1.8
66.90916	1.6
71.01382	3.5
87.88285	1.8
89.02428	9.8
89.54663	1.9
101.02448	8.2
102.86518	1.9
113.02414	4.8
145.43810	2.0
146.66684	2.2
148.72083	1.9
151.11250	3.2
169.12289	25.5
171.10298	32.9
222.61375	2.0
269.24911	23.2
277.21768	54.3
295.22879	3.9
397.13614	17.9
410.20486	2.2
415.14761	2.9
433.67352	2.4
440.51260	2.1
516.62207	2.2
599.20685	2.4
634.51349	2.4
667.39270	12.2
727.42889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51781	0.5
71.72245	0.6
78.95903	32.6
96.96953	3.4
120.41924	0.7
145.91504	0.7
152.99586	100.0
169.67300	0.7
171.00674	3.2
255.23401	2.3
397.17719	3.0
409.23611	26.9
531.97961	0.8
706.23718	1.0
727.32947	0.8
727.45465	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84481	3.4
78.95929	19.8
95.61155	3.6
106.63336	4.7
146.43236	4.1
152.99567	100.0
162.66956	3.9
208.60838	3.8
214.53844	4.2
433.23608	50.0
470.76920	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47659	3.4
58.11543	4.4
58.74112	3.8
78.95905	21.9
99.10799	4.2
134.71533	4.3
152.99583	100.0
155.78210	4.8
157.03574	4.9
177.57321	5.2
243.05444	4.7
377.48151	5.7
388.91068	5.8
433.23672	72.7
460.97852	5.3
483.15045	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29790	1.1
54.52018	1.2
57.60321	1.6
59.01381	6.6
60.47499	1.3
71.01394	2.9
72.99303	16.6
85.03647	1.4
87.00859	2.8
93.03452	16.3
94.03787	3.6
101.02468	2.0
108.45078	1.4
116.05042	3.5
123.04459	3.0
130.06660	2.4
134.06094	1.7
135.04504	3.3
142.06604	3.3
142.32219	1.6
144.04546	92.6
146.02493	32.2
158.06093	21.2
160.04079	2.1
162.05620	11.3
173.04559	6.7
174.05653	2.1
176.07147	34.8
179.03487	23.5
186.05644	17.6
188.03503	1.9
191.05711	2.3
193.05084	5.9
197.04567	63.0
204.06676	15.6
230.04559	3.1
350.08884	2.3
359.09854	67.4
368.09875	100.0
529.15875	7.7
530.15857	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13457	0.7
51.90389	0.8
54.45068	0.7
59.01367	5.6
64.07880	0.8
72.99298	18.8
89.02441	0.9
101.02426	1.3
101.22922	1.0
102.05151	0.9
116.05062	2.0
123.04543	2.1
130.06631	1.8
132.08223	1.2
134.06140	1.8
135.04527	4.8
142.06670	1.6
144.04538	72.5
146.02470	29.2
146.06050	1.1
158.06111	16.1
160.04092	1.9
162.05597	9.7
170.39256	1.0
170.57188	0.9
174.05605	1.9
176.07170	26.9
179.03488	21.6
186.05583	12.8
188.03560	1.5
197.04556	59.0
204.06689	11.4
230.04570	2.1
306.09555	1.0
350.08765	4.2
359.09869	65.7
368.09869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29790	1.1
54.52018	1.2
57.60321	1.6
59.01381	6.6
60.47499	1.3
71.01394	2.9
72.99303	16.6
85.03647	1.4
87.00859	2.8
93.03452	16.3
94.03787	3.6
101.02468	2.0
108.45078	1.4
116.05042	3.5
123.04459	3.0
130.06660	2.4
134.06094	1.7
135.04504	3.3
142.06604	3.3
142.32219	1.6
144.04546	92.6
146.02493	32.2
158.06093	21.2
160.04079	2.1
162.05620	11.3
173.04559	6.7
174.05653	2.1
176.07147	34.8
179.03487	23.5
186.05644	17.6
188.03503	1.9
191.05711	2.3
193.05084	5.9
197.04567	63.0
204.06676	15.6
230.04559	3.1
350.08884	2.3
359.09854	67.4
368.09875	100.0
529.15875	7.7
530.15857	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11893	0.3
57.11859	0.3
61.98832	100.0
77.05236	0.3
88.52754	0.3
178.02327	0.3
534.20935	0.6
654.48187	0.4
665.24951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11893	0.3
57.11859	0.3
61.98832	100.0
77.05236	0.3
88.52754	0.3
178.02327	0.3
534.20935	0.6
654.48187	0.4
665.24951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48663	2.0
77.90450	2.4
80.56602	2.3
95.55571	2.5
95.83190	2.3
115.46314	2.8
119.05005	2.7
119.68674	2.5
121.02968	2.9
148.01645	15.1
149.02434	3.9
153.05527	11.7
163.04060	25.3
165.05608	3.5
175.04030	18.9
176.04744	16.3
187.04048	3.3
188.04849	3.7
189.05527	3.4
190.06380	4.6
204.18550	2.4
205.05104	11.1
237.08432	2.6
242.63921	2.7
250.40269	3.3
261.20642	2.5
286.08508	5.7
312.08786	3.6
368.11429	3.6
380.11169	3.6
678.23376	3.8
698.26245	30.6
710.26276	34.7
728.27148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01381	37.4
73.02930	3.6
75.81179	1.6
76.76971	1.6
82.91975	2.0
83.01373	2.5
85.02944	10.8
89.02434	44.6
101.02454	24.9
112.83109	2.6
113.02444	18.4
119.03485	17.1
131.03525	2.0
138.56821	1.5
143.03528	3.8
161.04579	8.8
163.31642	1.7
168.67734	1.7
179.05626	39.9
262.08704	11.9
288.06729	8.8
290.08286	7.2
306.07727	9.0
318.07831	14.0
331.17615	10.4
336.08685	7.0
349.18668	8.5
535.61365	2.0
668.27216	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74779	0.4
59.01382	0.8
71.01372	2.5
78.49342	0.6
89.02415	0.5
93.97256	0.5
97.34766	0.5
97.69653	0.5
101.02418	0.7
101.28106	0.5
106.41802	0.6
111.40820	0.6
139.17749	0.6
151.04010	2.2
159.03192	0.8
181.05067	0.7
214.05182	0.9
221.08176	0.7
250.05318	0.9
266.04507	0.9
280.06244	4.3
293.03311	0.7
294.04163	7.9
306.07510	0.6
308.05695	26.2
309.06467	17.8
324.08792	100.0
357.13641	0.6
368.07806	17.9
379.53421	0.6
387.14645	1.0
567.22937	2.1
638.19177	2.2
682.17859	37.8
685.35809	0.9
696.25934	0.8
729.27783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13951	0.2
58.90250	0.2
59.01382	0.3
59.69783	0.2
71.01383	0.3
72.99306	0.5
78.95929	0.5
79.95734	1.2
96.96005	100.0
101.02409	0.3
113.02456	0.3
162.03130	0.2
179.03566	0.3
193.05116	0.2
195.06783	0.2
197.04573	0.9
231.27814	0.2
287.96210	0.2
414.35284	0.3
567.20569	0.4
729.30139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68462	0.1
54.47086	0.1
58.91770	0.1
59.01369	0.4
61.33870	0.1
63.36215	0.1
65.56937	0.1
67.63860	0.1
71.01384	0.2
74.99836	0.1
83.05033	0.1
85.02952	0.2
87.00906	0.1
92.23064	0.1
93.03452	0.7
99.91475	0.1
111.04502	1.5
113.02407	0.4
119.05016	30.4
127.04039	0.1
129.02017	0.3
135.04539	0.2
137.02507	0.4
155.03497	2.8
161.02394	0.1
163.04010	100.0
166.27550	0.1
173.04544	3.8
179.03481	0.2
191.05623	9.9
305.12415	0.2
337.09338	46.6
343.66513	0.1
393.26645	0.1
432.10300	0.1
703.51294	0.1
729.22675	1.1
736.94208	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
72.14123	3.0
96.95992	20.8
105.94297	3.3
110.87103	3.7
116.92841	3.3
117.03479	6.9
145.02957	38.9
146.03754	5.4
147.04497	8.6
148.14481	3.1
149.02477	6.1
152.90889	3.7
161.02429	31.5
162.03259	53.8
174.03331	3.9
177.05617	8.6
180.04387	5.0
193.04991	6.3
195.06696	6.0
267.06561	4.1
279.06799	6.2
279.10251	15.8
282.08945	6.3
293.04538	5.9
294.08972	23.3
297.11334	4.8
303.80505	4.1
308.06851	32.7
309.07581	14.4
309.11105	4.2
320.06915	8.0
321.07822	5.8
322.08344	5.4
323.05542	13.3
323.09293	52.7
324.09894	6.4
335.09473	4.9
336.10120	5.8
337.07019	6.1
338.08087	27.2
341.10410	7.9
353.10422	74.6
364.09332	7.1
367.11850	6.5
380.09201	21.5
383.11365	13.3
395.11407	42.6
449.81958	4.4
515.15662	4.3
693.21912	59.0
699.23053	42.7
711.23163	50.0
729.24048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64573	0.9
56.86798	1.1
58.85398	0.9
59.01392	1.6
72.99292	2.3
75.16356	1.0
75.91898	0.9
77.65994	1.0
78.95924	1.3
93.03414	2.0
96.96005	100.0
96.96964	2.5
111.20413	1.0
115.99519	1.2
119.05009	6.0
122.49619	1.2
129.96722	1.1
133.35495	1.2
134.03728	2.3
135.04549	9.4
141.61769	1.2
147.76233	1.0
149.06030	1.7
150.03207	2.6
156.10252	5.1
160.01711	2.2
161.02454	35.1
161.49570	1.1
162.03226	10.4
163.04037	13.2
165.05559	8.0
175.04008	15.1
176.04765	2.1
177.05580	11.3
179.03554	9.1
181.05084	29.5
189.81177	1.4
191.07097	5.6
193.05136	9.0
195.06607	4.7
200.09279	1.9
205.05147	1.8
221.04448	1.1
235.06123	4.4
250.01604	1.3
323.07791	6.3
389.12338	7.3
429.13809	1.8
431.13504	1.4
491.15588	6.2
519.14886	6.0
568.44720	1.2
586.98224	1.4
596.11737	1.3
729.24005	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2562
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
70.76444	1.6
96.13412	1.9
132.36171	2.0
133.02962	2.4
134.03731	50.3
135.04517	7.4
136.01646	2.2
137.02415	3.2
147.04498	2.8
148.05304	7.2
149.06067	21.6
160.01672	17.4
161.02399	2.5
174.04617	1.9
175.03990	31.0
178.02681	25.1
179.03481	10.2
193.05072	52.5
342.11243	5.9
343.11691	2.3
357.13513	7.9
373.79404	2.0
448.47815	2.2
467.07266	2.0
505.18939	2.6
522.65216	2.4
531.17493	2.1
729.25500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
67.75583	0.9
70.64314	1.2
71.01352	1.7
73.41814	1.1
85.02937	7.9
87.00864	1.6
87.20005	0.9
90.05575	1.0
92.23094	1.8
93.03452	11.4
95.99463	0.9
111.04503	5.0
123.91078	1.1
131.24992	1.0
134.03748	8.9
134.50513	1.0
136.54518	1.1
143.31812	1.3
146.86929	1.1
149.06076	5.0
155.03450	2.0
173.04558	11.8
178.02751	5.1
185.06839	1.0
191.05630	100.0
193.05051	28.9
207.96141	1.0
232.07402	2.1
247.09782	7.4
256.42960	1.2
291.08661	4.0
367.10297	4.4
427.89120	1.0
568.44086	1.3
729.26184	77.1
740.58557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
65.91837	0.6
71.01381	3.9
73.02925	0.7
81.45573	0.6
83.05007	0.9
85.02941	11.7
87.00884	3.4
89.02442	1.3
93.03452	14.9
101.02439	3.1
111.04514	5.0
113.02441	1.3
113.05273	0.6
114.77271	0.7
134.03743	21.3
137.02477	2.2
144.80811	0.6
149.04973	0.9
149.06078	12.4
155.03474	6.6
173.04552	28.0
178.02724	12.4
188.08466	0.6
191.05627	100.0
193.05067	65.9
203.09229	1.2
209.64034	0.7
232.07349	6.6
236.58989	0.7
247.09734	14.2
256.96112	0.6
291.08795	7.0
296.06653	0.6
343.12872	0.8
361.14020	0.9
367.10370	18.5
404.35229	0.6
505.24417	0.6
729.26215	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20091	1.1
59.01376	3.1
67.01892	1.9
71.01369	7.4
71.70267	1.3
85.02927	9.3
89.02474	2.0
93.03451	17.7
101.02446	4.9
111.04482	7.8
111.56425	1.1
132.95158	1.5
134.03755	15.3
137.02428	5.4
146.42578	1.4
149.06079	12.6
155.03470	6.4
156.80980	1.3
168.09743	1.3
173.04544	100.0
178.02678	13.6
191.05641	25.5
193.05070	56.6
229.64857	1.4
232.07372	6.2
247.09747	15.9
252.23311	1.4
291.08728	10.0
311.03925	1.6
729.26245	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.0
61.47070	0.4
67.01868	0.9
71.01375	2.3
85.02953	4.0
85.18178	0.5
87.00858	2.6
89.02423	0.9
93.03455	12.9
101.02445	2.0
111.04538	3.9
113.02411	1.2
127.04041	0.6
134.03728	7.9
134.67821	0.5
149.06062	3.5
155.03505	0.8
163.03993	0.9
173.04544	17.1
178.02763	3.6
181.12244	0.8
191.05624	100.0
193.05069	18.2
204.63190	0.5
225.11354	1.3
232.07414	2.2
247.09792	4.8
247.57019	0.5
291.08798	1.2
337.09314	0.7
367.10342	5.4
668.56354	0.7
729.26331	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01885	0.2
59.01371	1.4
59.66203	0.3
60.31250	0.3
67.01883	0.5
69.39093	0.3
69.68798	0.2
71.01373	1.4
71.56523	0.3
73.18890	0.3
74.04168	0.3
78.67055	0.2
85.02955	2.3
87.00872	3.1
92.73479	0.3
93.03449	11.0
99.00880	0.3
101.02464	0.6
111.04508	2.6
113.02447	0.3
129.01959	0.5
134.03751	0.5
139.86691	0.3
149.06125	0.5
155.03503	0.4
172.15593	0.3
173.04562	6.5
175.03946	1.1
191.05624	100.0
193.05031	4.5
194.71484	0.3
219.06567	0.5
232.07455	0.4
247.09773	1.6
291.08795	0.3
367.10291	1.3
652.21606	0.4
652.33728	0.4
729.26215	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54919	0.5
54.57570	0.5
54.69017	0.5
59.01373	3.0
61.12504	0.5
64.65469	0.5
67.01890	1.3
71.01369	3.5
85.02946	5.4
93.03455	15.3
101.02421	1.0
109.02931	0.6
111.00896	0.7
111.04508	5.7
113.02457	0.5
134.03723	10.8
137.02444	5.0
143.75941	0.5
147.04471	0.6
149.06111	5.5
149.45944	0.7
155.03520	4.5
161.07986	0.5
173.04547	100.0
178.02670	4.6
191.05638	8.2
193.05069	27.7
232.07401	3.0
247.09726	7.1
263.28964	0.7
272.75330	0.6
291.08722	5.0
367.10489	2.8
729.26239	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08240	0.5
59.01376	2.2
63.80078	0.5
65.10065	0.5
65.93700	0.5
70.33951	0.5
71.01388	1.2
73.52538	0.6
76.57155	0.5
76.84057	0.5
82.86829	0.5
85.02934	3.8
87.00859	1.1
87.34525	0.5
89.02474	0.5
91.55499	0.5
93.03443	11.0
101.02417	1.1
111.04504	2.6
113.02390	0.6
127.04002	0.6
130.13097	0.5
134.03755	6.5
149.06053	4.9
155.03461	2.8
173.04559	12.5
178.02698	6.1
191.05629	100.0
193.05070	23.1
232.07420	3.4
247.09637	5.2
291.08771	3.1
729.26251	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01375	2.4
63.69237	0.4
67.01891	1.1
71.01385	3.6
71.85269	0.4
85.02930	5.3
93.03454	18.0
101.02454	1.0
105.75175	0.4
109.02939	0.5
111.04516	5.7
113.02426	0.5
119.56585	0.6
134.03738	10.8
137.02422	4.4
149.06085	6.9
155.03517	4.6
173.04552	100.0
178.02721	6.1
191.05621	7.7
193.05069	26.0
232.07393	3.9
247.09779	8.4
271.09641	0.6
280.53186	0.5
291.08731	4.2
367.10352	2.9
398.74542	0.6
409.15607	0.5
555.21185	1.0
631.22241	0.6
691.31171	0.5
729.26306	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97766	0.9
55.31357	0.9
56.72804	0.9
57.03438	1.1
59.01372	6.1
61.81248	1.0
67.01891	2.2
71.01366	5.4
72.25584	0.8
85.02938	5.6
87.00864	5.6
89.02419	1.1
93.03450	34.9
95.01420	0.9
95.44777	0.8
107.15458	0.9
111.04488	9.1
113.02453	1.7
129.01910	0.8
134.03745	19.7
137.02425	4.0
142.06627	6.5
143.06950	1.9
149.06128	7.9
155.03484	7.0
173.04550	100.0
176.47929	0.9
178.02731	6.2
186.05606	5.7
186.66376	1.0
187.05968	2.0
191.05623	92.2
193.05058	41.3
204.06688	2.2
205.06956	1.4
225.11255	1.3
232.07367	2.0
247.09770	7.9
291.08755	5.4
366.11972	8.5
367.10196	41.9
462.34839	1.2
553.88666	1.1
666.78210	1.1
713.50238	1.0
729.26312	58.0
748.97919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88449	0.5
57.03471	0.5
59.01379	3.3
59.55369	0.6
67.01884	3.5
67.34681	0.6
68.56805	0.5
71.01370	3.8
74.08036	0.6
75.18719	0.5
85.02959	4.8
89.02422	0.8
89.92538	0.6
93.03445	18.1
98.91268	0.6
101.02424	2.2
111.00855	0.8
111.04507	6.0
127.04016	0.7
134.03726	9.6
137.02435	4.3
149.06065	5.8
155.03525	4.9
173.04550	100.0
178.02713	7.5
191.05659	6.4
193.03357	1.1
193.05081	27.8
232.07378	3.6
247.09665	6.9
255.06468	0.7
270.09000	1.0
291.08847	5.4
321.71097	0.7
338.40680	0.7
367.10403	4.3
379.47958	0.8
417.86536	0.7
446.15897	0.7
516.82288	0.7
729.26178	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88515	0.6
56.97976	0.7
59.01364	1.0
71.01380	1.5
73.02959	0.8
85.02928	4.6
86.75610	0.8
87.00854	1.7
87.81956	0.8
89.02444	0.9
93.03455	11.9
111.04509	1.9
116.86687	0.8
124.04029	1.2
131.95145	0.7
134.03741	8.5
149.06079	4.3
155.03432	1.5
170.09451	0.8
173.04564	12.4
178.02687	5.0
191.05630	100.0
193.05072	21.6
232.07512	1.3
242.72925	0.8
247.09746	4.5
291.08832	2.0
367.10187	1.1
568.58771	0.9
615.55127	0.9
670.07648	0.9
729.26202	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
63.34056	0.6
71.01364	2.6
73.02936	1.2
73.86647	0.6
82.88258	0.6
85.02950	6.8
87.00858	1.6
93.03455	12.6
101.02389	1.0
107.58508	0.7
109.02962	0.7
111.04480	4.1
127.03961	0.7
134.03735	8.1
149.06097	4.3
155.03500	1.2
173.04517	11.7
178.02756	7.4
191.05627	100.0
193.05066	31.1
232.07332	3.6
235.13486	0.8
247.09723	8.4
291.08734	3.8
316.15921	0.7
325.79913	0.7
393.12396	0.8
535.36017	0.8
729.26233	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98904	1.2
57.18795	1.5
59.01369	9.1
61.98819	3.7
69.02110	1.6
71.01373	7.4
85.02934	1.7
89.02431	8.0
101.02432	3.4
112.28040	1.7
113.02472	2.9
131.42020	1.6
134.39531	1.5
134.97598	1.6
138.53242	1.6
147.04602	1.9
149.02417	11.9
150.03203	2.8
164.04791	32.3
165.05510	2.6
165.76581	1.7
175.00348	1.8
176.01128	1.4
177.01973	2.2
178.59711	1.5
179.07132	6.6
183.74535	1.7
190.02719	30.3
191.03410	1.8
191.05621	10.1
193.05112	2.9
205.05074	45.3
205.06850	1.6
206.05838	9.0
208.03752	2.6
221.08214	17.3
223.06110	42.3
237.07668	6.4
250.04861	1.7
265.07217	23.9
457.43185	1.9
465.14175	7.1
483.15125	2.2
567.18781	2.5
729.26190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.0
69.84777	0.6
71.01370	3.5
71.05997	0.7
73.02931	1.5
85.02934	0.9
89.02438	1.4
92.23105	1.0
97.37868	0.7
101.02451	1.8
101.48199	0.8
113.02451	1.5
119.01362	0.9
119.03476	0.9
121.02997	0.9
121.53836	0.8
134.03758	3.3
149.02434	11.4
160.01631	0.9
163.04051	1.3
164.04800	25.9
165.05553	1.9
171.10161	1.3
175.00435	6.6
175.03978	3.2
176.01137	4.0
179.07149	3.4
183.13835	0.8
190.02739	67.6
191.03496	7.5
193.05034	1.1
205.05081	67.8
208.03763	4.1
209.04581	1.7
223.06125	20.1
324.08755	4.1
346.14328	1.3
347.15051	1.0
361.16592	9.9
625.31500	0.8
682.18585	1.4
685.35461	3.1
729.27686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15252	0.8
56.33831	0.9
56.45339	0.8
59.01364	1.7
59.29267	0.7
59.50631	0.8
61.98849	0.9
66.56693	0.7
69.33174	0.8
71.01364	1.7
71.70551	0.8
82.82681	0.8
85.02948	1.1
90.00808	0.8
109.02988	2.6
121.02946	2.1
122.03737	8.9
123.04477	1.6
134.03729	1.9
135.04457	1.2
147.04489	1.5
149.02440	4.2
164.04803	15.1
165.04236	1.3
165.05560	31.0
175.00276	1.6
179.07146	13.4
190.02730	37.7
190.04402	1.6
191.03560	1.4
195.06615	1.5
205.05069	86.1
208.03786	1.7
209.04614	1.0
223.06120	18.6
223.09758	1.2
293.22653	0.9
313.14178	0.9
315.12354	3.4
328.68387	1.0
346.14255	17.1
347.14893	1.1
352.07913	1.2
361.16626	47.6
367.10339	26.9
379.16144	1.0
434.23853	1.0
597.31256	1.0
729.27753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84509	1.0
52.81321	0.8
54.81745	1.0
59.01419	1.3
61.94670	1.0
67.01875	2.1
68.49918	1.0
71.01376	1.4
81.90965	1.0
87.00870	6.1
93.03444	29.8
111.04519	8.6
134.03738	7.9
137.02435	2.1
155.03523	2.8
173.04556	81.7
191.05634	100.0
193.05115	18.2
221.36617	1.2
367.10370	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.9
63.43203	1.5
71.01374	36.7
73.02945	17.9
81.56331	1.6
83.01386	8.2
85.02941	19.9
87.00879	3.2
89.02437	12.7
95.01365	6.6
97.02950	4.1
99.00868	9.1
101.02444	47.4
111.00883	1.9
112.09323	1.5
113.02418	40.9
117.82568	1.5
119.03474	6.9
125.02448	10.2
143.03485	8.1
148.16219	1.8
155.03481	2.2
161.04526	9.1
164.04778	2.1
191.02910	1.8
221.06694	2.0
230.07140	1.7
301.21793	3.7
319.22705	2.4
406.93787	1.9
481.28085	3.5
523.29297	2.4
608.65002	2.1
625.32239	38.1
643.33643	42.3
671.00555	2.2
685.34564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33118	1.0
59.01386	20.9
59.93063	0.9
71.01383	13.7
72.99324	1.3
85.02957	2.4
87.00925	1.9
87.04539	1.2
89.02437	17.9
96.96015	1.2
101.02441	14.1
106.35074	1.1
113.02440	9.7
115.48934	1.3
119.03506	9.7
122.03778	1.3
135.04581	4.7
156.72614	1.1
158.72154	1.1
164.04845	2.4
165.05667	6.1
179.07188	2.2
186.01312	1.1
190.02759	8.7
190.10010	22.7
191.05731	1.2
197.04735	1.7
203.10794	7.8
205.05052	17.2
213.84151	1.1
216.11703	1.2
223.06322	2.3
273.18634	18.4
285.18698	1.6
292.17032	2.7
342.22211	2.7
343.23065	6.5
346.14401	2.1
361.16852	6.2
361.23972	25.1
367.10266	3.0
454.22195	16.9
512.79413	1.3
522.28546	11.1
523.29144	15.7
567.28467	1.7
631.24634	1.4
685.35211	4.2
729.34015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65377	0.6
52.75108	0.7
53.50721	0.7
59.01385	23.4
71.01378	12.3
72.99280	1.0
73.90128	0.8
85.02941	3.3
87.00854	1.0
89.02438	18.9
101.02433	14.0
111.00877	1.1
113.02438	7.3
119.03488	7.1
135.04518	4.2
149.04611	1.0
181.65215	1.0
190.02673	1.1
190.09993	16.3
203.10802	8.3
205.05174	1.4
273.18655	7.0
285.18686	5.2
299.39349	0.8
320.03180	0.9
325.21359	1.0
342.22308	1.5
343.22870	12.6
357.95517	0.9
361.23834	19.4
386.06525	0.8
447.36490	1.1
454.22144	12.8
508.27063	1.0
522.28644	7.4
523.29242	14.1
556.26910	0.9
567.28064	1.7
598.23151	0.8
598.35223	0.9
685.34747	4.9
729.33685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20988	1.5
59.01393	15.0
62.58090	1.7
71.01383	10.8
73.02950	5.8
73.34528	1.6
74.25546	1.5
81.20409	1.5
83.01362	3.1
85.02964	6.1
85.52975	1.8
97.02939	1.6
101.02451	9.3
113.02442	10.1
125.02384	2.1
125.32947	1.7
140.53354	2.0
147.07796	1.8
150.81921	1.9
171.10297	2.0
191.05551	2.0
206.17496	1.7
216.37959	1.8
274.42593	1.9
319.22903	19.6
325.20319	2.5
327.21851	3.7
460.84576	1.7
463.26993	20.2
481.28146	69.7
523.29169	100.0
685.34906	2.1
729.24304	1.9
729.36639	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54357	2.8
54.15885	2.5
55.96004	2.7
56.33318	3.3
59.01386	8.0
71.01380	4.8
77.09473	3.0
85.41898	4.3
89.00900	3.3
89.02456	5.0
97.53389	3.4
155.91270	3.3
187.53033	3.9
295.22687	15.5
335.61261	3.2
587.32428	5.9
606.91412	3.8
693.37158	6.1
729.34747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19818	0.9
59.01395	1.5
71.01377	2.2
92.64272	1.0
96.12190	1.1
101.02425	2.5
116.38887	1.3
163.36339	1.5
195.13969	1.6
277.21732	2.5
295.22876	14.2
317.00928	1.1
331.39337	1.3
357.12253	1.1
397.13373	2.6
415.14508	2.5
514.86462	1.3
693.37207	13.2
729.34784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33358	1.0
59.01378	2.2
67.62745	1.1
74.71607	1.2
89.02443	1.9
101.02423	2.1
106.22155	1.1
112.86610	1.1
168.43085	1.2
168.90430	1.2
171.10298	2.1
248.31810	1.2
277.21674	6.2
293.21069	1.6
295.22760	8.3
328.44131	1.3
397.13443	6.9
403.64038	1.7
415.14648	1.7
693.37146	18.4
729.34534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01373	15.8
73.02932	3.0
83.01356	1.9
83.90063	1.4
85.02950	7.2
89.02412	2.1
90.10530	1.5
91.08124	1.4
94.98076	3.1
101.02440	13.2
113.02434	8.1
134.03766	1.8
148.76198	1.4
161.04594	7.2
169.12309	2.2
171.10266	6.3
185.11800	1.9
188.41977	1.5
193.05058	2.8
201.91170	1.4
211.13495	2.3
315.18170	6.1
325.20306	2.8
327.21881	10.7
357.19086	26.3
429.31384	1.5
523.29437	6.3
729.38965	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.4
61.98831	2.0
62.66425	1.4
68.26331	1.5
88.55043	1.4
89.02419	2.1
92.22556	1.6
129.35362	2.0
151.11325	3.7
154.74883	1.4
169.12346	32.6
171.08865	2.7
171.10283	68.2
191.05731	1.9
213.11433	3.1
231.12500	2.7
279.23267	38.0
355.01288	1.7
729.44531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30920	1.2
58.76274	1.4
77.98762	1.4
81.03472	3.4
83.05022	11.3
93.03450	59.9
95.28790	1.4
96.02172	2.0
106.02303	1.8
111.04514	42.0
137.02448	100.0
155.03499	69.5
155.04680	3.1
188.22885	1.5
234.71666	1.8
277.21756	29.8
433.25998	98.2
442.57925	1.8
584.89807	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.6164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
66.74292	0.6
70.10784	0.6
70.89227	0.7
74.01708	0.6
78.95895	1.8
87.69453	0.8
100.14455	0.8
101.03316	0.9
124.58726	0.9
150.36470	0.7
170.11871	3.3
209.83014	0.8
233.22826	1.1
277.21738	100.0
729.46027	1.4
740.91925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70576	0.4
56.74233	0.4
67.01899	0.7
70.14075	0.4
71.01375	2.1
71.58878	0.4
79.11626	0.4
85.02953	1.9
93.03445	11.1
109.03003	0.5
111.04510	3.5
113.02407	0.4
127.04063	0.5
134.03708	2.2
135.04532	39.8
137.02440	6.0
155.03526	6.0
161.02493	1.1
173.04558	100.0
174.04990	0.7
179.03516	70.8
191.05637	51.7
192.06001	2.2
193.05099	3.6
194.05406	1.7
196.82094	0.4
294.83347	0.5
353.08835	88.5
647.84784	0.6
730.26532	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43933	0.6
57.03454	9.8
59.01387	4.6
70.12870	0.7
71.01387	1.1
83.01410	0.8
85.02946	100.0
87.00845	1.0
93.28963	0.8
111.00848	3.4
112.09728	0.9
115.00311	1.0
122.38275	0.7
129.01930	7.3
147.03035	7.9
155.62714	0.8
163.04088	1.1
173.04562	1.3
191.01997	29.7
191.05618	6.7
192.06085	1.1
193.05052	1.5
209.03043	5.5
220.34734	0.8
227.00768	0.8
353.02826	0.9
367.06561	1.3
385.07816	51.5
459.49747	0.9
730.22986	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60812	0.9
54.40660	1.1
54.77241	1.4
56.63343	1.1
60.76688	1.2
61.37056	1.0
61.43446	1.1
64.58537	1.1
80.86240	1.3
82.02973	2.5
88.50881	1.2
93.21689	1.2
96.96014	2.2
113.07162	2.1
114.05637	2.1
126.01988	11.2
127.05116	27.3
130.08725	28.8
130.92258	1.2
141.06711	7.0
143.11888	10.2
149.07166	1.6
153.06696	11.4
166.06192	3.1
166.09906	2.3
167.04633	8.4
169.09856	2.4
171.07730	5.5
172.04391	6.5
184.07335	9.1
187.10884	5.1
189.07004	19.4
197.07568	1.8
200.14067	2.9
201.09938	2.4
210.08841	6.7
240.08093	1.9
240.17216	24.2
258.09158	1.7
277.55917	1.8
284.16177	21.9
297.19266	7.9
300.10281	2.1
315.11334	1.7
317.13062	2.0
332.13940	3.0
341.18326	11.3
374.15213	13.6
385.54001	1.6
456.01541	1.3
469.24243	1.6
642.29303	17.8
686.31964	80.7
730.34717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
61.98833	100.0
65.64797	0.9
70.70470	0.8
86.15179	0.9
101.02461	1.0
105.38253	1.0
114.51812	1.0
135.52835	0.8
152.99554	1.3
174.40106	1.0
268.57376	0.8
269.24786	1.7
270.25201	1.6
271.25720	1.4
303.32922	1.1
311.75684	1.0
341.88638	0.9
398.13571	1.1
399.14224	1.6
670.40149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26240	0.8
66.08565	0.9
72.82251	0.8
72.99298	3.6
85.39735	0.9
86.40618	0.8
92.23062	0.9
119.05035	6.3
147.04530	49.5
155.82114	0.8
164.03473	1.8
164.07236	1.3
165.05569	100.0
187.39226	0.8
206.08090	1.2
207.60416	0.8
256.25430	1.0
271.37439	1.0
396.07657	0.9
501.38983	0.9
730.47681	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	55.8
69.03226	1.1
71.01011	1.5
71.01382	26.9
72.04552	4.6
83.01394	1.2
85.02924	4.6
89.02441	33.3
95.01373	1.5
98.78233	1.2
101.02436	16.5
113.02434	9.2
119.03498	13.2
127.07351	1.2
157.26190	1.1
161.04562	1.9
176.22978	1.2
179.05592	6.9
217.71349	1.1
225.22244	29.2
238.58490	1.2
253.21710	7.3
271.22845	6.0
296.25851	2.2
321.84760	1.4
326.26999	21.5
385.88211	1.3
550.48669	2.4
568.49060	1.4
730.54895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5487
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
51.89581	0.5
57.03449	0.6
59.01383	48.2
61.17488	0.6
71.01382	20.3
72.04538	3.7
72.99300	0.7
73.02926	0.7
83.01415	0.6
85.02943	4.2
89.02442	27.0
95.01373	1.0
100.04038	1.2
101.02441	14.3
113.02454	9.7
114.97594	0.6
119.03483	11.0
131.03514	0.9
131.05185	0.6
161.04565	1.3
179.05638	6.7
219.19687	0.7
225.22260	19.0
253.21771	3.8
255.23264	2.5
268.26483	0.8
271.22858	4.9
296.25989	2.4
314.26999	1.0
326.27032	20.4
342.92545	0.6
344.10211	0.5
374.28683	0.5
391.35950	0.6
410.42172	0.6
516.94653	0.7
550.48669	3.3
562.92731	0.7
568.49780	2.3
726.73004	0.6
730.54956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28736	1.0
79.24527	0.9
117.03475	4.7
119.05019	1.2
135.04593	1.3
142.02943	4.9
144.04552	1.1
150.91727	1.1
188.03586	7.4
190.05113	41.8
197.70706	1.0
262.04901	1.0
289.14856	1.2
302.04614	3.7
317.07019	1.7
318.07819	1.4
335.04169	2.1
345.05447	1.1
381.10001	1.1
397.09735	1.5
410.10724	2.9
412.12094	1.5
422.10318	1.6
425.09164	2.0
440.11459	18.2
466.09399	1.6
467.08774	4.5
482.11188	1.9
496.14185	2.1
637.10437	1.0
687.19958	100.0
731.18488	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94439	0.9
68.08064	0.8
72.99305	56.9
83.79478	0.9
88.80800	0.8
96.96011	1.9
103.91769	1.0
117.03319	1.0
123.04526	28.1
133.02950	2.0
134.03738	1.8
135.04521	28.9
150.03215	17.9
151.04004	10.8
160.01651	2.1
161.02420	13.3
165.05594	12.7
175.04034	10.4
179.03503	58.9
193.05026	2.1
195.06618	1.3
197.04570	42.5
211.06084	6.6
309.07498	1.0
323.07797	1.3
337.09451	2.0
341.84909	0.8
395.55118	1.0
491.40411	1.0
533.13068	3.8
535.14642	8.0
713.20959	4.8
731.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62781	0.5
71.01369	0.7
73.02956	0.6
90.22211	0.6
100.92770	0.8
101.02464	1.0
108.02158	19.5
109.02951	15.1
113.02391	0.9
151.03976	1.0
152.01144	46.9
153.01939	25.6
153.02878	0.6
163.04005	2.6
165.01979	2.9
195.02928	0.7
254.39781	0.7
315.07257	100.0
336.85773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53616	0.4
57.23761	0.3
59.01342	0.4
60.61190	0.3
61.23895	0.4
63.71408	0.3
80.85622	0.4
85.02966	0.6
87.00854	0.5
93.03437	1.0
133.02910	1.5
135.04538	2.1
155.08167	0.4
161.02443	1.9
173.04488	2.1
179.03496	2.2
191.05623	100.0
204.09792	0.4
351.03394	0.5
351.06964	3.2
353.08813	25.2
731.24329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76003	0.4
54.28880	0.4
57.22071	0.3
61.81417	0.4
61.89832	0.4
62.87248	0.4
111.09307	0.4
134.03732	20.2
137.02435	2.1
143.28328	0.4
148.66420	0.5
149.04857	0.7
149.06070	19.6
178.02715	31.0
179.03537	0.8
191.05637	0.5
193.05066	100.0
201.01709	0.9
211.06458	0.5
255.74431	0.5
256.31256	0.5
279.50592	0.5
355.10397	38.0
375.07108	2.8
384.64633	0.5
564.82782	0.5
731.21393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.8
71.01376	1.6
77.63095	0.7
85.02943	1.9
89.02434	1.6
91.84037	0.9
93.03457	6.7
101.02435	3.4
113.02438	1.3
115.04012	4.7
119.03582	1.0
119.05025	25.1
135.04530	3.6
137.02466	22.4
137.03493	1.3
155.03522	4.2
163.04022	100.0
165.14648	0.8
173.04625	7.6
179.03505	3.0
191.04005	1.7
191.05640	29.1
299.07681	7.4
337.09338	44.3
337.15311	1.7
353.08826	0.9
393.14209	14.9
622.83038	0.9
731.25049	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53616	0.4
57.23761	0.3
59.01342	0.4
60.61190	0.3
61.23895	0.4
63.71408	0.3
80.85622	0.4
85.02966	0.6
87.00854	0.5
93.03437	1.0
133.02910	1.5
135.04538	2.1
155.08167	0.4
161.02443	1.9
173.04488	2.1
179.03496	2.2
191.05623	100.0
204.09792	0.4
351.03394	0.5
351.06964	3.2
353.08813	25.2
731.24329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34938	0.4
56.27172	0.4
59.01368	0.8
60.99314	1.1
63.13264	0.4
67.01894	2.2
71.01373	0.8
72.47582	0.5
79.52824	0.5
87.00871	6.2
89.02457	0.7
93.03449	23.7
99.00855	0.9
101.91713	0.5
111.04516	4.4
134.03725	3.8
138.09393	0.5
149.06113	0.7
155.03529	0.6
160.75676	0.6
173.04561	10.1
175.03996	0.7
181.62012	0.6
191.05632	100.0
193.05045	8.3
258.88528	0.5
310.27298	0.5
367.10376	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.278
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	0.9
63.30826	0.5
67.01883	1.2
68.57872	0.5
71.01371	0.9
73.23240	0.6
81.93571	0.6
87.00871	5.6
93.03450	24.6
93.04028	1.1
111.04524	5.3
113.02483	0.7
134.03770	2.7
155.03488	0.8
173.04567	12.0
175.03966	0.8
191.05632	100.0
192.06129	0.7
193.04987	7.4
260.81970	0.6
367.10376	58.7
369.10767	0.8
681.08569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17830	0.8
55.92820	0.8
57.28304	0.8
59.01377	11.1
61.40483	0.8
71.01376	4.0
73.02946	2.3
85.02938	1.6
87.00893	1.2
88.63823	0.8
88.98822	2.0
89.02440	3.9
96.04829	0.9
99.00876	4.7
101.02427	4.7
105.01892	1.1
113.02428	3.5
119.23510	0.9
121.02981	1.4
143.03415	1.3
147.04504	5.7
149.02434	32.8
160.23666	1.0
163.04013	2.2
164.04802	100.0
164.15273	0.8
169.78883	1.0
179.07176	10.2
190.02742	10.2
191.05620	4.8
205.05075	18.2
208.03735	5.0
212.53738	0.9
223.06136	81.2
225.11394	2.0
267.12482	1.0
270.38181	1.0
313.78046	1.0
343.21457	3.6
387.16864	3.5
531.15125	1.1
731.27728	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
59.16597	1.5
71.01373	2.9
72.45702	1.6
73.02937	2.2
85.02931	2.3
87.00874	1.7
89.02437	2.9
91.10374	1.8
101.02431	7.8
111.97651	1.8
113.02417	3.1
117.03421	2.6
125.02416	2.7
134.03734	86.7
145.75128	1.8
149.06058	16.4
160.01624	9.8
160.49754	1.8
173.50926	2.0
175.03995	22.7
178.02766	14.9
193.05058	100.0
195.26414	2.1
228.59244	2.0
299.19629	2.5
537.25610	3.9
687.35931	2.5
731.31366	93.4
736.85815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30069	1.2
59.01383	11.3
59.34480	1.2
60.45596	1.1
69.66033	1.0
71.01366	8.2
77.35343	1.1
77.78082	1.2
81.04609	1.1
85.02967	1.5
88.98832	1.3
89.02431	8.6
90.41751	1.3
101.02422	8.1
104.39470	1.2
108.02142	2.5
109.73552	1.3
113.02448	2.0
119.03497	2.7
121.02962	6.5
122.03613	1.5
123.04502	7.0
126.86672	1.3
127.15091	1.2
141.11438	1.2
161.04547	1.5
167.03484	2.5
176.08432	32.3
176.40805	1.3
206.43420	1.2
218.09532	2.9
221.06693	2.3
236.10535	16.9
618.29059	1.9
731.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40797	1.2
59.01384	21.4
71.01390	14.7
72.99310	3.0
73.02959	1.5
85.02963	2.7
87.00871	3.0
89.02446	13.7
101.02447	16.0
113.02452	3.9
119.03503	3.6
121.02961	3.3
123.04514	6.7
161.04559	2.6
162.45477	1.5
164.04866	3.9
167.03563	3.2
176.08438	29.9
179.03471	1.8
190.02844	3.4
191.07301	1.9
197.04613	2.7
198.85893	1.6
205.05119	12.9
218.09560	3.5
223.06107	3.5
339.87692	2.1
618.29645	2.0
695.25372	2.0
731.35181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	16.5
68.12530	1.0
71.01379	11.5
72.99304	9.3
73.02940	1.1
83.01386	1.4
83.61808	0.9
85.02962	4.6
87.00882	1.3
89.02447	10.4
93.03469	1.1
96.96031	1.4
101.02454	13.6
108.02168	3.4
109.02937	1.5
113.02453	7.2
119.03492	2.5
121.02910	8.1
123.04515	12.1
125.02477	1.2
131.03522	1.1
135.04559	4.3
161.04604	6.3
165.01973	1.3
167.03543	5.5
176.08441	47.8
176.09937	1.8
179.03528	8.6
180.04314	1.5
189.09392	1.5
195.06680	2.0
197.04585	10.5
205.05173	1.3
218.09552	5.0
221.06805	1.3
243.05199	1.1
283.11804	2.0
447.22525	1.4
550.28290	1.4
671.33392	2.3
731.35278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.2
62.75428	1.9
71.01367	5.5
73.74996	2.1
83.95339	2.3
85.02974	2.9
89.02451	10.0
90.05508	2.2
90.89557	2.0
101.02434	10.1
108.02132	3.8
113.02475	3.1
114.76237	2.1
116.38345	2.1
119.03485	4.3
122.75598	2.3
123.04519	8.9
125.74600	2.1
167.23067	2.2
176.08458	21.9
236.10564	37.4
332.58948	2.4
430.39523	2.8
602.26312	2.8
636.00665	2.4
704.73132	2.9
731.23395	4.1
731.35297	100.0
757.13574	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.9
71.01372	12.7
85.02946	3.2
87.00871	1.4
89.02428	12.8
89.21237	1.3
101.02419	14.9
104.15229	1.3
105.48019	1.3
108.02258	1.4
112.89890	1.4
113.02455	9.6
119.03513	7.6
121.03055	1.7
123.04549	1.6
124.95402	1.3
137.06102	2.3
149.02521	2.2
159.02940	2.0
161.04546	2.4
164.04807	7.4
176.08421	1.5
177.09265	2.3
179.07108	1.8
191.10823	2.2
192.11525	1.6
195.06577	2.1
221.06787	3.4
223.06166	2.8
225.93175	1.5
313.10928	1.9
456.23703	2.6
553.21167	2.7
593.78979	1.7
618.29132	24.5
687.36328	9.0
731.35376	100.0
751.10083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16684	0.6
57.33111	0.7
57.39658	0.7
59.01383	12.8
67.30479	0.6
67.41501	0.7
70.95590	0.8
71.01380	9.2
73.02942	1.8
75.99355	0.6
85.02928	1.7
87.00869	1.1
88.98785	1.8
89.02440	11.0
95.01302	0.8
96.96008	6.3
98.95618	3.1
99.00881	1.6
101.02429	8.3
108.02159	5.2
113.02416	6.5
119.03496	5.4
121.02954	3.8
122.03695	1.0
123.04511	8.8
131.03476	1.1
137.02316	0.8
161.04593	4.5
165.05673	1.2
167.03520	3.4
176.08395	1.7
179.03438	0.8
179.05618	1.1
192.11621	1.8
195.36795	0.8
221.06729	3.6
228.83969	0.9
235.76448	0.8
347.22220	2.9
348.70129	1.2
602.26001	12.5
604.42798	1.0
731.35193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19249	1.0
55.01864	1.1
57.03448	1.0
59.01384	28.8
71.01385	23.4
72.46235	0.8
73.02942	7.6
83.01377	1.6
85.02940	9.9
87.00860	2.2
89.02444	29.9
95.01411	1.3
96.96017	2.4
99.00909	1.9
101.02442	28.9
113.02446	16.9
119.03485	10.2
125.02430	1.9
130.94165	1.0
131.03467	1.9
140.26971	1.0
143.03497	1.4
158.25528	1.0
159.02997	1.2
161.04587	8.6
171.62874	1.3
179.05661	4.7
221.06641	4.0
224.23482	1.0
299.99301	1.1
401.80490	1.2
523.39282	1.1
671.36591	100.0
687.36798	1.3
731.39807	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62397	1.2
55.31060	1.1
59.49400	1.1
61.90623	1.4
69.71331	1.2
72.08025	1.1
74.91835	1.1
76.61478	1.2
79.83053	1.2
80.43674	1.2
85.02935	6.2
91.37750	1.4
96.95997	11.0
97.06593	2.3
101.02467	1.4
119.71814	1.2
156.24541	1.3
161.98338	1.3
163.03957	1.4
171.10262	16.3
183.13919	2.6
209.11665	1.4
211.13431	25.2
213.14168	1.2
221.11804	3.2
227.07880	1.4
229.14447	19.6
291.19705	2.0
327.21790	100.0
386.35254	1.6
407.65631	1.4
492.33435	1.6
562.57013	1.8
667.99561	1.4
680.07343	1.6
731.38025	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20724	0.7
55.27850	0.8
59.01376	1.2
65.88692	0.9
66.39875	0.9
71.01402	1.0
83.65417	0.9
84.69616	0.8
85.02929	1.1
92.50211	0.9
93.03461	8.9
101.02444	0.9
111.04514	3.4
116.11134	0.8
127.73275	0.9
130.08759	1.7
135.04530	37.6
136.04822	1.0
137.02420	6.2
155.03514	4.8
161.02443	4.5
173.04550	92.5
179.03500	74.1
191.05623	88.4
191.07385	1.8
192.05946	7.3
353.08826	100.0
354.09088	1.5
379.14328	1.1
403.51208	0.9
732.24451	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27174	0.3
53.41032	0.3
54.90580	0.3
59.01386	1.0
60.06554	0.3
60.99290	0.7
61.82903	0.4
66.37828	0.4
67.01888	1.6
71.01372	0.9
85.02941	2.6
87.00871	6.5
93.03452	21.2
103.00587	0.4
111.04535	4.5
129.01903	1.0
134.03748	4.0
137.16345	0.4
143.03502	0.5
149.06116	0.6
155.03439	0.7
173.04555	11.1
175.04050	0.7
188.99451	0.5
191.05632	100.0
192.05988	0.6
193.05087	9.3
198.02895	0.4
223.47955	0.4
230.62254	0.5
367.10385	54.8
391.10715	0.4
408.85800	0.5
437.71967	0.5
647.78711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83580	0.2
53.39846	0.2
56.83354	0.2
57.03461	0.3
59.01388	0.5
60.99303	1.3
66.14516	0.2
67.01897	2.1
69.03460	0.6
71.01379	1.0
85.02953	0.6
87.00873	5.9
93.03452	23.9
99.04529	0.3
108.44958	0.3
110.51216	0.3
111.04523	5.4
113.02467	0.3
113.63739	0.3
115.04004	0.3
115.21233	0.3
129.01920	0.6
134.03746	2.9
143.03416	0.4
145.08636	0.6
146.46783	0.3
149.06116	0.4
155.03534	1.5
163.04073	0.4
173.04544	11.1
175.03937	0.4
191.05630	100.0
193.05051	8.1
307.13950	1.5
308.14304	0.4
367.10373	51.4
518.70947	0.3
529.06049	0.3
555.07007	0.4
746.18921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83580	0.2
53.39846	0.2
56.83354	0.2
57.03461	0.3
59.01388	0.5
60.99303	1.3
66.14516	0.2
67.01897	2.1
69.03460	0.6
71.01379	1.0
85.02953	0.6
87.00873	5.9
93.03452	23.9
99.04529	0.3
108.44958	0.3
110.51216	0.3
111.04523	5.4
113.02467	0.3
113.63739	0.3
115.04004	0.3
115.21233	0.3
129.01920	0.6
134.03746	2.9
143.03416	0.4
145.08636	0.6
146.46783	0.3
149.06116	0.4
155.03534	1.5
163.04073	0.4
173.04544	11.1
175.03937	0.4
191.05630	100.0
193.05051	8.1
307.13950	1.5
308.14304	0.4
367.10373	51.4
518.70947	0.3
529.06049	0.3
555.07007	0.4
746.18921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31937	0.4
60.99299	1.7
67.01884	1.9
71.01357	0.6
85.02947	1.0
87.00877	5.9
93.03451	22.0
101.77081	0.4
111.04498	5.3
134.03722	2.8
135.01266	0.4
149.06027	0.7
153.04846	0.5
155.03477	0.8
173.04544	12.3
175.03943	0.5
179.40004	0.4
191.05629	100.0
193.05086	8.6
238.80406	0.4
324.89630	0.5
367.10370	56.8
441.18039	0.6
527.83624	0.5
575.83197	0.4
629.08289	0.5
703.11230	0.5
715.94855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.6
60.00798	0.4
60.01131	0.4
71.01373	8.2
72.99293	0.5
73.02946	2.8
78.57408	0.4
83.01408	0.8
85.02939	1.2
87.46321	0.5
89.02432	3.1
101.02441	7.3
113.02421	3.0
130.06606	4.0
142.06642	1.2
144.04527	4.6
144.08180	12.0
146.06116	43.5
156.08229	0.9
158.06068	2.0
160.07683	6.2
161.04625	1.0
164.07182	0.8
170.06099	3.7
172.07671	0.8
174.09198	5.2
176.07280	0.6
184.07449	0.6
186.05632	7.7
186.09299	0.7
188.07172	29.6
190.05119	4.4
206.08223	5.0
206.80940	0.5
218.08243	4.0
232.06148	4.1
242.08253	0.9
293.98438	0.6
308.11441	3.1
346.86652	0.5
352.10406	100.0
509.14685	0.6
609.21576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00855	0.3
53.03347	0.3
56.14186	0.3
59.01378	0.4
60.54573	0.3
71.01383	0.5
74.80967	0.3
82.43876	0.3
83.30209	0.3
89.02448	0.6
99.56348	0.3
101.02432	7.9
110.09744	0.7
113.02460	0.3
115.07644	0.6
120.34412	0.3
130.08730	100.0
152.10896	0.5
161.04530	0.8
172.09807	2.0
202.08974	0.5
202.10861	13.7
214.10852	2.1
244.11830	1.8
277.09348	1.5
292.10800	0.9
292.14053	18.6
316.07382	0.4
318.57013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55104	0.9
62.73147	1.1
63.80547	0.9
64.36720	0.9
67.01875	1.5
71.01363	1.4
72.99319	10.2
77.39194	0.9
79.47539	0.9
85.02951	1.4
85.37215	1.0
87.00855	6.4
93.03465	16.1
93.65691	1.0
96.96004	48.6
104.32712	1.0
111.04487	5.5
123.04562	7.6
127.03992	1.3
134.03770	7.4
135.04503	4.0
136.04819	1.5
149.06073	2.0
150.03220	1.4
155.03513	4.3
158.03685	4.1
159.04503	5.1
165.05447	1.4
173.04565	37.2
173.06006	2.3
178.02679	2.1
179.03522	9.4
180.03790	1.5
190.74718	1.0
191.05632	63.3
193.05066	52.0
197.04512	8.9
228.00629	5.0
229.01413	2.1
239.07195	2.0
243.02939	2.1
254.92128	1.1
265.05139	1.1
280.07364	7.3
281.08054	2.0
282.09021	2.0
295.09705	9.5
308.06912	1.7
326.07663	1.3
341.10172	1.8
351.04956	4.8
352.05936	27.1
367.08209	79.5
385.09207	4.2
437.49759	1.2
559.14606	10.5
586.94629	1.1
626.92920	1.2
634.38025	1.1
705.27545	1.2
733.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80532	0.2
55.47813	0.2
57.91610	0.3
60.00750	0.3
69.65092	0.2
74.44887	0.2
74.52684	0.3
74.53114	0.2
74.87105	0.3
79.95737	1.6
81.59767	0.2
83.36555	0.2
91.33689	0.3
96.96001	100.0
139.74352	0.3
145.02925	1.1
150.03201	0.4
153.05632	0.3
160.01707	0.3
163.04079	0.3
164.30861	0.3
173.04526	0.4
175.03992	0.4
191.05624	1.5
193.05183	0.5
217.63634	0.3
227.50259	0.3
231.03668	0.3
321.74899	0.3
463.59747	0.3
480.04849	0.3
480.87570	0.3
524.11072	0.3
531.77197	0.4
571.19067	0.6
699.19031	0.3
733.22156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68306	0.5
54.51048	0.5
72.97514	0.6
72.99302	32.1
89.32157	0.7
92.49483	0.7
114.31714	0.6
123.00877	1.1
123.04520	7.1
135.04546	7.0
137.02448	7.2
149.06059	1.0
165.05528	3.8
167.03505	7.6
178.02687	1.1
179.03506	30.9
193.05086	8.8
197.04570	100.0
211.06129	49.8
283.08365	0.8
286.99005	0.6
299.07837	1.1
359.09888	80.8
373.07593	1.9
373.11505	24.3
606.58618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13261	0.5
72.99284	6.3
123.00891	6.4
123.04533	1.3
124.01658	1.1
135.04520	2.6
137.02443	18.7
151.04071	0.9
166.02681	5.6
167.03497	18.7
179.03493	9.3
181.05077	60.2
196.03786	5.3
197.04584	20.2
211.06131	100.0
298.04980	0.7
299.07703	5.5
329.08731	1.1
343.10632	0.8
359.09900	16.0
373.07715	5.8
373.11508	73.0
423.64996	0.8
645.56879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54639	0.4
57.79924	0.5
59.01374	0.8
71.01379	0.9
72.99303	30.1
76.52837	0.5
92.58372	0.5
113.02435	0.5
123.00866	3.7
123.04509	6.3
124.01684	1.0
135.04517	7.5
137.02440	10.6
151.03949	0.9
167.03513	11.8
178.02728	3.2
179.03499	33.1
193.05093	9.1
194.39787	0.6
197.04568	100.0
299.07709	3.1
308.91348	0.6
329.08685	2.0
359.09882	75.6
373.07709	3.5
373.11499	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13328	0.5
55.26230	0.4
56.00524	0.4
96.00903	0.5
101.02431	0.4
134.03749	0.6
137.02417	1.8
146.35849	0.5
149.06001	0.5
161.02411	1.5
173.04547	0.6
177.01831	0.7
178.02713	0.6
179.03528	0.6
191.05629	100.0
192.05994	1.9
193.04958	3.4
195.82571	0.5
201.77364	0.5
219.06676	0.6
353.08829	29.5
367.69424	0.4
367.83420	0.4
372.91812	0.4
433.16165	0.5
733.25043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
59.31344	0.1
78.44319	0.1
85.02946	0.7
87.00874	0.1
89.02406	0.1
91.87849	0.1
93.03454	0.5
107.30531	0.1
111.04504	0.1
127.03969	0.5
135.04532	0.3
147.57637	0.1
151.03940	0.2
151.84090	0.1
155.03462	0.1
161.02438	1.6
173.04552	0.2
179.03474	0.8
191.05621	100.0
224.58965	0.1
293.79059	0.1
331.16263	0.1
353.08804	25.4
377.14490	0.1
414.28403	0.1
525.13641	0.1
743.66449	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49061	1.0
59.01365	6.6
64.69482	1.1
71.01369	6.3
79.50123	1.4
82.23568	1.3
88.25647	1.4
89.02438	6.1
99.00865	6.1
101.02422	5.6
103.56397	1.1
105.39082	1.1
108.02141	1.2
113.02452	2.3
119.03500	1.9
136.42740	1.1
145.02979	1.5
148.05252	2.7
162.06908	2.0
174.03200	6.9
176.04843	1.6
180.04468	1.2
188.04858	1.8
191.05588	2.3
191.07143	10.6
193.05197	1.8
194.05740	1.4
202.02689	2.5
206.71014	1.1
206.73282	1.2
207.06570	1.5
215.03484	1.5
220.03758	2.3
235.05994	6.4
243.47546	1.4
250.06277	1.9
262.06351	5.3
263.07111	5.0
264.07901	10.2
265.08682	5.5
267.06638	20.4
277.08710	1.7
279.06638	23.7
279.10233	21.7
282.08969	26.4
293.04779	1.6
294.05386	8.0
294.09006	24.2
295.06226	2.6
297.07742	1.4
297.11328	7.5
306.05423	1.7
307.06091	2.7
308.06949	9.0
309.07800	11.4
309.11057	1.9
310.08475	6.8
320.07025	1.6
321.07709	1.7
322.08603	20.4
323.05594	31.5
323.09296	10.8
326.08145	10.2
335.09247	2.3
337.07254	2.7
338.08014	66.0
341.10345	24.9
353.10364	100.0
371.11255	2.9
437.58679	1.4
650.29382	1.3
703.26160	21.5
715.26288	53.8
733.27155	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.25926	0.6
69.41759	0.5
71.01039	0.5
71.01365	4.6
73.02936	2.7
77.26123	0.6
85.02945	1.1
88.32623	0.6
92.23075	0.7
101.02448	3.1
106.43997	0.8
113.02419	2.7
161.04541	5.3
223.93748	0.7
250.65947	0.7
317.47968	0.7
345.21112	0.8
398.17648	0.7
575.21320	1.4
621.52222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16864	0.4
58.34554	0.4
59.01383	100.0
61.98822	0.5
75.64853	0.5
80.14610	0.5
85.02948	6.9
125.06065	0.7
125.99480	0.5
162.02126	0.5
163.44493	0.6
163.46965	0.5
671.34955	0.8
733.35547	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12837	1.0
56.41129	1.0
58.75251	1.1
59.01385	16.9
68.38850	1.3
71.01389	8.2
71.37212	1.2
72.99307	53.2
76.36859	1.2
83.56948	1.2
85.02929	1.4
89.02429	9.7
100.71817	1.4
101.02445	7.5
111.25735	1.1
113.02451	4.7
115.04040	1.4
119.03525	1.4
119.95066	1.2
121.02937	1.6
123.04530	18.2
133.03027	1.4
134.03735	10.7
135.04535	21.9
142.53677	1.3
148.05342	1.8
149.02457	4.8
149.06131	1.8
150.03236	23.8
151.03986	2.1
153.05508	1.6
160.01636	20.4
164.04800	3.0
165.05568	31.5
175.04010	80.8
176.36200	1.3
177.01967	1.7
179.03519	63.0
187.86201	1.4
192.04390	1.9
193.05080	13.1
195.06717	5.6
195.87767	1.3
197.04579	89.2
205.05252	1.4
282.09137	5.0
305.16809	1.3
341.10400	3.1
362.95639	1.5
439.16168	59.6
540.18036	1.6
587.21338	4.7
635.13031	2.5
635.23578	63.2
733.33203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.26105	0.9
68.63212	1.0
71.02216	1.2
72.63475	1.4
81.78718	1.2
90.03600	1.2
92.22960	4.3
97.60126	1.2
106.10320	1.2
179.07126	2.2
183.62762	1.1
215.01268	1.2
292.06186	4.8
300.41125	1.4
306.07697	18.9
307.08545	20.7
320.09372	15.3
321.10028	11.0
322.10910	25.9
328.09668	1.3
336.12454	33.8
343.11868	4.6
396.14520	2.6
404.97577	1.2
415.51697	1.4
417.95456	1.4
487.48096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26981	0.8
59.01382	63.2
97.47462	1.1
113.01055	1.1
113.17821	1.2
156.34618	1.0
160.38403	0.9
178.55684	1.1
222.64351	1.2
261.08054	2.5
262.08780	1.4
263.09476	4.2
276.10425	4.6
277.07462	2.1
278.08252	1.8
290.04855	2.1
291.05377	7.3
291.08963	4.5
292.06165	19.0
293.06970	1.4
293.10269	1.1
298.53665	1.1
305.06927	8.1
306.07748	77.2
307.08514	45.5
308.09354	1.7
320.09320	49.6
321.10071	42.7
322.10864	47.8
336.12454	100.0
338.13959	3.7
356.38010	1.2
396.14572	2.0
424.60474	1.5
532.90790	1.2
658.23199	1.3
673.25970	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44337	0.8
55.39283	0.9
56.97191	0.8
59.01382	100.0
59.37020	0.9
89.02433	1.3
92.23123	1.6
143.05106	1.0
151.04053	2.1
165.05566	1.1
225.57574	1.1
239.07822	1.1
270.44788	1.1
276.10315	1.2
277.84052	1.1
291.05670	1.8
292.06219	1.7
294.07608	1.6
306.07739	16.4
307.08655	18.0
320.09354	16.6
321.10138	12.5
322.10883	29.3
336.12463	41.4
361.47565	1.1
396.14517	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.28085	0.8
73.76794	0.8
78.34632	0.8
125.32610	0.8
177.01981	1.0
179.04172	1.0
235.45201	0.9
276.10693	0.8
292.06226	2.1
306.07782	13.6
307.08554	19.0
320.09302	16.6
321.10159	10.3
322.10876	31.6
333.46179	1.0
336.12451	35.5
396.14523	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.11825	0.7
81.91866	0.7
84.44121	0.7
102.96207	0.7
118.98331	0.9
178.32098	0.8
224.50191	0.8
261.07925	1.0
262.08569	0.8
263.09515	1.7
276.10443	2.9
278.08276	1.5
291.05463	6.2
291.08768	2.0
292.06198	12.0
292.09607	2.6
294.07706	0.8
305.06860	5.7
306.07779	56.9
307.08542	38.8
320.09317	33.7
321.10104	32.0
322.10880	44.6
336.12460	81.1
368.11282	1.3
396.14612	3.8
399.02802	0.8
638.61542	0.8
673.26080	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28416	2.6
54.74516	3.2
59.44625	2.9
134.03720	5.3
147.39967	3.8
149.02448	16.3
149.06052	3.9
150.03232	50.6
150.24284	3.7
154.96457	3.3
161.06084	4.5
164.04800	14.3
165.05573	100.0
180.04314	7.4
195.06657	17.1
241.56174	3.6
269.08395	4.9
281.08105	3.6
295.05972	11.8
298.08447	6.1
310.08585	5.9
314.11548	5.1
329.14172	4.0
343.11652	6.4
430.18481	3.9
474.16690	5.7
477.19168	8.3
486.11554	4.4
489.19110	5.1
519.20581	8.3
625.24097	6.3
637.23376	5.3
667.25427	24.2
673.27448	5.1
685.26733	35.3
697.26318	15.4
703.27582	42.2
715.27826	40.7
733.28784	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30279	0.7
55.79125	0.9
58.03152	0.8
59.01396	2.1
71.43052	0.8
72.99304	57.6
73.73355	0.8
75.16990	0.9
75.17917	0.8
75.37173	0.8
79.95768	0.9
85.02954	1.1
96.96001	68.8
98.95624	1.3
101.02446	1.5
107.95115	1.0
123.04520	13.2
135.04515	22.1
151.04001	2.1
173.04607	1.1
173.39711	0.9
179.03505	60.4
191.04097	1.3
191.05624	9.6
193.05147	1.6
196.15990	1.0
197.04568	100.0
201.86467	0.9
341.09061	1.4
352.06119	2.2
359.10223	1.0
366.97107	1.1
367.04321	1.4
367.08139	9.4
541.14001	1.3
733.30096	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60696	0.6
59.01372	1.4
71.01390	0.7
72.99303	52.6
85.02969	1.0
87.00871	0.8
93.03451	3.2
96.96002	10.8
107.32760	0.7
122.91173	0.8
123.04503	13.3
123.26939	0.7
125.60715	0.6
135.04535	18.3
137.22707	0.7
141.43062	0.7
151.03998	1.0
153.05573	0.9
153.55948	0.8
173.04498	1.0
179.03502	60.4
191.05624	17.0
193.05086	0.7
197.04561	100.0
208.29163	0.7
298.46411	0.8
309.28250	0.9
313.09082	0.8
341.08957	4.6
367.08276	1.2
391.19907	1.2
401.11066	1.4
733.20618	6.2
733.29761	86.4
754.82574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	2.0
95.67888	0.9
96.96007	1.4
97.06602	0.9
113.02436	24.2
113.06055	1.4
125.09714	71.2
145.02942	3.9
149.06187	0.9
169.08707	3.6
173.04568	4.7
174.53058	0.8
185.11818	1.2
187.09772	100.0
191.05618	1.1
195.69479	0.9
261.13455	90.0
351.50284	1.0
729.24127	1.0
733.20715	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26584	0.7
53.02193	0.7
54.63490	0.8
59.01370	3.2
62.80633	0.8
71.01372	1.3
72.99303	65.7
81.95309	0.7
89.02443	1.6
101.02441	1.4
105.11644	0.7
113.02436	0.8
116.90720	0.9
123.04511	14.0
134.03711	2.9
135.04527	18.9
148.05260	1.1
150.03229	7.0
153.05563	1.5
159.69849	0.8
160.01636	4.9
165.05562	10.2
175.03984	21.5
179.03499	64.2
193.04990	1.6
195.06735	1.1
197.04562	80.6
244.34079	0.9
391.23282	3.0
402.42694	1.0
439.16132	20.3
543.70099	0.9
635.23541	10.2
733.33057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.3
58.00586	1.0
59.01379	10.9
71.01389	8.3
73.02945	9.8
75.00854	1.2
75.93489	1.0
79.39680	0.9
89.02409	1.3
93.56684	0.9
101.02413	3.9
103.63083	0.9
111.08099	1.1
113.02434	5.2
113.09712	11.5
119.03361	1.0
121.93083	0.9
125.06055	1.6
143.03499	0.9
149.09743	1.1
152.34813	1.0
161.04572	1.8
167.10774	1.0
176.72916	1.0
179.10768	1.8
195.13908	2.0
228.99414	1.1
231.77837	1.0
249.22267	2.0
263.23795	1.7
273.22275	7.8
275.20010	1.9
277.21747	85.0
291.23325	34.4
293.21255	100.0
301.21710	5.3
319.19397	1.8
319.22821	27.1
331.22754	1.7
349.23825	6.0
379.24832	1.7
381.33264	1.2
407.45331	1.2
574.60388	1.1
584.36743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24535	1.7
55.03931	2.1
57.66651	1.9
59.01379	46.5
71.01386	9.5
72.84192	2.2
84.75172	2.0
92.22558	4.3
93.35732	2.2
101.02398	2.8
187.45029	2.3
216.36603	2.5
277.21756	100.0
293.21274	81.3
301.21719	3.0
319.22870	4.4
350.02609	2.2
390.99826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
137.67963	0.3
277.21719	2.7
279.23370	0.3
407.33081	0.3
419.04391	0.3
455.35391	100.0
468.88708	0.3
681.64264	0.3
687.70721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.2
69.97693	0.5
78.95903	6.3
117.99706	0.6
127.27007	0.5
128.65033	0.6
152.99577	3.1
158.57503	0.6
178.04858	0.7
247.05069	0.6
255.23323	3.5
259.24326	4.0
269.24832	1.2
285.22269	0.9
303.23325	100.0
733.45343	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38968	1.0
70.17767	1.0
72.99303	21.0
77.60173	1.2
83.05029	15.5
83.05482	1.8
111.04523	23.4
115.04008	12.3
127.04010	79.0
129.05592	11.8
137.02449	5.8
155.03510	74.9
163.03999	4.8
171.03044	6.5
173.04541	2.6
179.03572	2.5
189.04070	5.7
191.05685	12.6
193.05048	1.4
199.02525	36.9
201.91312	1.5
217.03551	100.0
235.04637	5.3
235.10294	1.3
291.50604	1.3
381.08392	35.1
429.10315	1.5
735.21918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77158	0.6
62.60141	0.9
62.69845	0.9
63.72911	0.8
72.99304	23.4
79.34309	0.9
83.05030	13.7
89.42769	0.8
101.67921	1.1
111.04511	19.2
112.12830	0.9
115.03990	9.4
127.04010	69.8
129.05635	9.1
132.76752	0.9
137.02473	3.6
153.96658	1.1
155.03508	71.7
163.03972	1.5
171.02982	5.4
173.04550	4.7
176.59180	1.2
184.16722	0.9
189.04099	5.4
191.05640	10.4
199.02481	37.6
209.76115	1.0
217.03551	100.0
235.04623	9.8
381.08301	37.1
523.60840	1.0
735.21948	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
69.34303	0.9
69.58206	0.9
72.23610	0.9
72.99303	20.2
79.35228	0.8
83.05027	17.0
85.02950	1.7
93.03462	2.4
111.04503	19.8
115.03991	9.5
127.04010	79.2
127.22945	1.0
129.05569	6.5
135.04535	2.0
136.04863	1.3
137.02446	4.7
155.03503	71.9
163.04120	1.6
171.02989	7.0
173.03252	1.4
173.04491	10.7
174.04840	2.2
175.03952	1.3
179.03497	6.6
179.49930	1.1
189.04044	4.6
191.05632	30.2
192.05991	1.4
193.05005	1.7
199.02501	36.2
217.03543	100.0
235.04471	6.8
266.42474	1.0
279.10831	1.1
353.08810	3.6
354.09311	1.9
355.10141	5.2
379.16306	1.3
381.08347	33.3
388.08862	1.1
735.21356	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91661	0.2
73.74614	0.2
74.05202	0.3
79.35916	0.3
79.95727	1.3
87.87615	0.3
92.23090	0.6
96.96000	100.0
99.04504	0.4
117.41429	0.4
123.13578	0.3
129.68745	0.3
133.01411	1.7
179.13905	0.3
223.06081	0.5
336.23132	0.3
418.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59924	0.5
57.91430	0.5
61.82355	0.5
72.99303	40.3
75.96651	0.5
77.11536	0.5
88.86627	0.6
96.50251	0.6
121.02956	1.2
123.04500	2.4
135.04477	0.8
137.02449	0.6
139.04001	28.3
142.04742	0.6
151.03978	9.2
167.03468	1.2
179.03493	8.8
195.03004	29.1
197.04564	27.4
213.04059	60.5
220.88109	0.7
301.09274	11.2
348.24966	0.7
357.08176	0.9
359.09848	23.8
375.09351	100.0
447.07983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93441	0.6
72.99303	53.6
91.80411	0.8
115.00363	2.9
121.02934	0.7
123.04520	1.7
133.01427	6.0
135.04507	8.6
139.04005	36.0
146.33034	0.7
146.62585	0.7
151.03972	9.2
166.21599	0.7
179.03494	18.6
190.18097	0.7
195.03003	34.2
197.04556	48.4
213.04070	70.5
214.17453	0.7
301.09305	13.8
357.08316	1.1
359.09882	42.8
370.42554	0.8
375.09351	100.0
680.00555	0.8
724.45490	0.8
735.19922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80738	0.7
54.68037	0.7
56.94614	0.7
58.92077	0.6
59.01386	1.5
60.17987	0.6
68.04662	0.7
71.01379	1.3
72.99300	38.2
89.02448	3.6
90.31868	0.7
101.02406	1.0
115.00344	3.5
115.04031	3.8
119.03456	1.2
123.04527	3.6
133.01402	10.5
135.04526	6.7
138.03296	1.1
139.03996	16.8
151.03978	3.4
179.03496	30.9
195.03000	15.6
197.04561	100.0
213.04042	29.4
213.07533	0.7
301.09253	7.5
309.93463	0.8
324.80301	0.8
359.09869	78.7
375.09363	43.4
393.14117	6.6
496.83282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80738	0.7
54.68037	0.7
56.94614	0.7
58.92077	0.6
59.01386	1.5
60.17987	0.6
68.04662	0.7
71.01379	1.3
72.99300	38.2
89.02448	3.6
90.31868	0.7
101.02406	1.0
115.00344	3.5
115.04031	3.8
119.03456	1.2
123.04527	3.6
133.01402	10.5
135.04526	6.7
138.03296	1.1
139.03996	16.8
151.03978	3.4
179.03496	30.9
195.03000	15.6
197.04561	100.0
213.04042	29.4
213.07533	0.7
301.09253	7.5
309.93463	0.8
324.80301	0.8
359.09869	78.7
375.09363	43.4
393.14117	6.6
496.83282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40219	0.7
69.73155	0.8
72.99305	31.4
84.03841	0.8
120.43299	0.8
123.04515	3.9
133.01431	4.2
135.04504	5.4
139.04027	12.2
140.19058	0.8
151.04016	3.2
151.36819	0.8
179.03506	26.5
183.00887	0.8
195.03012	9.9
197.04572	100.0
213.04076	19.1
223.70720	0.9
301.09351	4.3
359.09906	93.8
375.09360	27.8
634.60510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06851	0.4
59.01390	0.6
60.63865	0.3
60.99295	0.6
65.82651	0.4
67.01874	1.9
68.52708	0.4
68.83196	0.4
69.38443	0.4
79.78259	0.4
85.02927	0.7
87.00877	5.1
92.04515	0.4
93.03451	22.3
99.04538	0.6
111.04536	5.5
113.02467	0.5
129.01917	0.9
134.03737	3.0
147.80948	0.5
151.20724	0.5
155.03493	0.8
173.04552	10.9
175.04074	1.0
191.05627	100.0
193.05049	8.0
223.89191	0.5
259.30515	0.5
360.63773	0.5
367.10370	63.3
739.21997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
60.99300	1.9
64.13426	0.3
67.01883	2.0
71.01373	0.8
71.60725	0.3
72.73497	0.4
72.92489	0.3
79.76385	0.4
80.26842	0.3
85.02954	0.6
87.00877	6.5
89.02477	0.4
91.57549	0.3
93.03448	20.6
103.96173	0.4
111.04504	4.5
113.02437	0.5
127.03973	0.4
134.03725	2.5
134.10890	0.3
149.06100	0.7
150.07663	0.4
155.03482	0.6
172.78468	0.4
173.04547	12.0
175.04012	0.8
191.05629	100.0
193.05057	7.8
284.02646	0.4
367.10373	59.9
390.65436	0.4
477.72229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16293	0.3
56.73165	0.3
59.01378	0.7
67.01893	0.6
71.01370	0.8
81.03442	0.4
83.05038	0.5
93.03447	10.6
98.38771	0.4
111.00912	0.6
111.04507	3.4
118.50769	0.4
119.92276	0.5
134.03740	10.2
137.02443	4.1
149.06055	1.9
155.03497	5.5
173.04552	100.0
188.63889	0.4
191.05611	0.9
193.05072	18.6
211.07645	0.4
228.02373	0.4
367.10370	48.4
459.71927	0.4
538.53766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	1.7
62.96558	0.3
67.01888	2.1
69.03456	0.3
71.01371	1.5
76.72318	0.3
85.02940	1.5
87.00875	5.4
93.03449	21.3
111.04512	4.6
113.02454	0.5
126.24725	0.4
129.01958	0.5
129.56676	0.3
134.03734	2.7
143.03453	0.4
149.06055	0.5
155.03477	0.8
173.04535	11.2
175.04019	0.4
184.58272	0.3
191.05627	100.0
193.05090	7.1
240.54518	0.4
254.34073	0.5
367.10370	57.9
375.24258	0.4
753.39233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77771	0.3
54.06482	0.3
55.37312	0.3
59.01372	0.7
67.01878	1.5
69.72205	0.3
71.01360	2.3
83.05005	0.4
85.02951	0.6
93.03449	10.5
97.02950	1.5
102.19153	0.4
111.00846	0.7
111.04507	3.9
113.02387	0.3
115.04000	9.4
117.03439	0.4
127.04007	0.5
128.24541	0.3
134.03735	10.5
137.02457	4.4
145.02954	0.5
149.06064	2.0
155.03502	5.2
173.04550	100.0
187.70409	0.3
191.05630	6.1
193.05069	19.7
204.29710	0.3
211.07605	0.7
335.82773	0.4
351.36288	0.4
367.10367	44.5
416.05368	0.4
451.07642	0.3
472.31119	0.3
735.21082	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
60.99312	0.3
63.61056	0.3
65.44594	0.3
67.01889	1.5
69.03441	0.3
71.01380	1.9
73.84225	0.3
83.05038	0.5
87.00879	0.6
93.03454	13.4
102.84661	0.3
111.00847	0.3
111.04501	3.2
117.03419	0.3
134.03746	9.6
137.02457	5.0
149.06093	2.0
155.03503	4.2
173.04555	100.0
191.05626	12.0
193.05066	19.1
218.20480	0.3
258.40091	0.3
291.11060	0.3
297.55527	0.3
367.10391	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40564	0.5
63.55768	0.5
75.53713	0.6
110.32683	0.7
111.04487	0.7
113.31096	0.7
117.03472	3.1
134.03738	37.5
149.06081	9.7
155.03503	3.4
171.47791	0.6
173.04564	4.4
191.05675	3.3
193.05069	100.0
196.58372	0.6
303.55939	0.7
310.22955	0.9
367.10373	57.2
462.40771	0.6
752.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07319	0.2
58.86415	0.2
59.01379	1.4
62.26596	0.3
63.22100	0.3
73.84610	0.3
97.28230	0.3
157.13506	0.3
169.01480	0.3
204.31497	0.3
256.07144	0.3
268.03793	24.6
270.18546	0.3
281.04709	0.3
283.06143	100.0
337.89297	0.3
339.63721	0.3
367.22717	0.3
675.18848	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63858	0.5
58.64759	0.5
59.01365	0.9
63.53017	0.6
67.01865	0.9
71.01393	2.4
74.55492	0.6
79.51479	0.5
80.74898	0.6
85.02969	0.8
93.03452	12.5
96.14983	0.7
111.00843	0.6
111.04519	3.0
134.03737	9.1
136.85451	0.6
137.02446	3.6
137.40344	0.7
137.62622	0.6
149.06099	2.6
155.03543	4.5
160.46049	0.7
173.04547	100.0
191.05640	23.7
193.05087	17.3
283.74881	0.7
367.10370	52.0
735.21771	5.4
749.89294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35124	0.8
56.73329	0.6
59.01377	0.9
60.99302	2.9
67.01894	7.2
69.03437	1.0
69.16525	0.7
71.01373	4.4
71.92520	0.8
72.99302	2.0
83.05038	1.5
85.02905	0.8
87.00873	16.6
93.03450	66.5
96.96010	30.9
98.95563	1.4
109.10104	0.7
111.04514	14.4
112.37181	0.8
113.02428	1.1
117.79617	0.7
127.92229	0.7
129.01915	1.7
132.02066	0.8
134.03726	11.8
134.68805	0.8
135.04439	0.9
137.02441	1.0
149.06061	9.1
155.03458	4.1
159.65660	1.0
173.04555	24.2
178.02724	10.8
179.03529	1.2
186.13098	0.8
190.02634	5.8
191.03546	8.2
191.05611	20.4
193.05069	49.1
197.04535	1.4
203.08249	1.4
205.05057	15.9
209.04613	3.0
223.06169	4.2
245.09325	3.6
353.08749	3.2
367.10236	2.0
374.08185	0.8
513.26776	0.9
561.15875	9.9
735.21527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15083	0.1
59.01379	0.2
66.93911	0.2
72.99310	0.2
79.95730	1.3
96.96003	100.0
98.95603	0.7
160.39018	0.2
165.05603	0.2
185.40552	0.2
191.05629	0.2
339.73779	0.2
462.20981	0.2
510.46518	0.2
735.21875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15083	0.1
59.01379	0.2
66.93911	0.2
72.99310	0.2
79.95730	1.3
96.96003	100.0
98.95603	0.7
160.39018	0.2
165.05603	0.2
185.40552	0.2
191.05629	0.2
339.73779	0.2
462.20981	0.2
510.46518	0.2
735.21875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62443	1.0
59.01380	26.5
71.01375	37.7
72.74574	0.9
72.99305	72.5
75.63872	1.0
82.57209	1.0
85.02981	1.3
89.02436	36.9
97.02943	10.8
101.02441	25.4
104.02945	1.1
111.44257	1.2
113.02451	10.1
115.03994	28.8
119.03486	20.1
123.04510	31.4
131.03523	1.3
135.04526	39.7
149.04526	1.5
151.03973	7.2
156.34521	1.1
179.03508	77.7
179.05602	4.2
189.50978	1.0
197.04562	100.0
259.08252	45.7
277.09293	88.7
311.44168	1.2
311.48212	1.6
319.10385	9.8
340.05466	1.4
349.11429	13.4
375.13138	6.8
379.12482	27.7
439.14624	16.8
649.50836	1.3
735.23376	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65422	0.6
72.99300	28.0
89.35311	0.7
91.39572	0.7
91.95979	0.8
111.00881	0.9
123.04476	6.1
135.04533	8.1
137.02472	0.9
151.04002	4.1
165.05525	1.1
167.03398	2.9
179.03487	32.7
180.03870	0.8
197.04556	100.0
213.04022	3.5
359.09869	75.5
375.09329	8.7
447.79251	0.9
560.72485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49734	0.6
71.50316	0.6
72.99306	29.9
76.35632	0.7
87.91047	0.6
103.82919	0.6
107.96278	0.6
123.04564	6.2
135.04514	6.7
137.02469	0.7
151.04024	3.5
167.03473	1.6
167.57199	0.7
173.72156	0.7
179.03506	34.7
195.03064	0.8
197.04570	100.0
213.04088	3.0
223.36446	0.8
275.97653	0.7
346.59787	0.7
359.09903	71.7
360.10309	0.7
375.09332	4.5
445.87280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83379	0.8
59.48244	0.9
64.52433	0.9
72.69955	1.0
72.99304	48.1
90.92692	1.0
92.47559	0.9
96.15318	1.0
112.68214	0.9
123.04517	18.5
135.04533	29.0
151.04071	1.5
179.03511	48.5
197.04576	100.0
241.42181	1.1
297.11313	4.4
375.14417	2.3
552.11450	1.1
710.86426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
71.01363	6.9
73.02940	1.2
85.02921	1.8
87.00858	4.6
88.98787	1.9
89.02428	5.3
95.01407	1.1
101.02434	6.5
113.02416	4.1
119.03520	1.1
127.11225	1.2
137.54962	1.1
139.75375	1.0
150.03258	1.1
151.03986	1.1
161.04504	6.7
164.04860	1.4
171.10265	56.9
171.11725	2.1
174.03267	1.8
190.02705	1.4
191.03514	9.8
191.05545	1.3
205.05075	7.1
206.05896	1.4
209.04628	1.2
217.05095	1.4
223.06042	2.1
291.06610	1.4
294.01727	1.4
300.30750	1.2
309.07846	2.5
309.11304	8.4
311.09177	1.5
312.10037	1.5
323.05585	5.6
324.10004	4.9
333.07697	1.5
338.08130	12.3
339.08585	1.4
350.07861	1.7
353.06671	2.6
353.10309	46.5
365.10605	4.0
368.09058	8.3
371.11478	4.5
383.11398	15.9
481.17133	1.5
484.11002	1.2
529.26947	2.4
582.17480	1.9
583.18286	6.5
587.17633	5.9
599.17694	6.9
602.20081	4.3
617.22375	9.5
629.23224	5.1
647.23639	7.2
735.24243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.8
59.01384	93.4
62.93586	1.7
71.01381	51.2
78.26971	2.0
85.02925	4.9
87.00876	25.9
89.02440	85.0
96.96001	4.7
97.02888	2.5
101.02447	37.8
113.02442	20.9
115.04013	30.3
116.25572	2.1
116.59776	2.0
119.03488	29.6
143.03516	3.2
149.04504	2.5
153.05571	3.9
161.04575	2.5
179.05621	24.5
203.07146	3.7
204.04207	2.1
260.77124	2.1
309.07776	4.2
324.10068	19.4
339.12427	26.3
369.13120	2.7
531.18835	4.1
637.21454	60.4
715.05853	2.3
735.25146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75918	0.7
67.72146	0.7
72.99306	51.7
80.11555	0.7
104.15623	0.8
123.04521	19.7
135.04523	26.9
151.04051	0.9
179.03513	51.9
197.04576	100.0
215.05707	0.9
239.46707	0.8
322.54538	0.8
400.51590	0.9
532.66431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58494	1.1
59.01383	9.4
63.23643	1.4
71.01374	6.3
73.02938	1.5
83.86335	1.5
85.02962	2.3
87.00871	7.3
88.75800	1.3
89.02460	3.1
94.10851	1.5
101.02442	7.5
113.02391	2.2
116.92869	3.6
123.25959	1.5
150.03210	2.5
152.90575	1.4
153.05449	1.6
164.04819	7.7
176.01163	7.3
179.03693	1.5
190.02789	5.5
191.03510	26.1
191.05319	1.9
205.05060	21.8
209.04503	3.2
223.06166	9.1
292.07407	7.5
309.07968	3.3
309.11383	15.4
312.09906	5.9
318.05283	2.1
319.06210	2.2
323.05719	9.9
324.06534	1.8
324.10114	8.7
327.12646	2.4
333.07693	8.2
335.05646	3.5
335.09305	3.1
337.07126	2.5
338.08145	19.5
350.07971	3.6
352.09686	3.0
353.06421	3.6
353.10367	53.5
356.09235	2.5
365.10358	8.7
368.08984	13.3
371.11514	11.5
383.11395	22.7
529.26666	7.1
582.17413	7.9
583.18274	28.6
587.17975	9.3
597.20001	3.1
599.17780	26.1
602.20166	3.0
614.19257	2.4
617.22650	18.0
629.22479	41.4
647.23871	16.6
735.25330	100.0
735.34766	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25091	0.8
72.99306	52.3
92.23155	1.0
123.04533	24.4
127.35949	0.9
135.04535	34.8
148.10202	1.0
151.04001	1.9
160.23192	0.9
179.03522	54.8
197.04573	100.0
282.09036	1.8
297.11386	27.0
312.10132	1.7
327.12381	15.3
345.13544	1.6
375.14526	11.2
427.48822	1.0
446.43533	1.0
537.19885	41.3
656.82715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99539	0.9
57.87694	0.9
58.55322	1.0
59.01379	5.9
68.97681	0.9
70.02966	11.3
70.03257	0.8
71.01360	1.3
73.02940	1.2
73.52393	0.9
81.07320	1.0
82.02982	7.9
85.02937	1.3
87.25011	1.1
89.02438	2.1
89.71799	0.9
91.05527	9.9
96.96011	2.0
101.02415	1.5
113.02454	1.5
118.06617	4.7
121.20332	1.2
137.64337	1.1
147.04521	8.5
161.02460	1.8
174.09247	27.6
189.00557	1.1
190.02771	1.7
191.05528	1.1
205.05083	2.7
205.62192	1.2
212.99687	1.1
218.08232	100.0
225.11288	1.6
255.95079	1.2
256.80124	1.1
265.08301	40.8
322.08401	1.1
735.33893	6.1
750.48419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22666	0.3
56.31268	0.3
59.01380	4.1
71.01387	2.6
71.57039	0.3
73.02926	0.4
76.15063	0.4
78.68826	0.3
89.02427	4.9
99.00880	4.7
101.02450	1.6
113.02457	2.7
119.03497	1.2
124.49332	0.3
130.31410	0.3
131.03494	0.3
134.03734	17.9
137.02448	1.5
147.33244	0.3
149.04799	0.9
149.06068	20.8
155.03461	0.5
161.04562	0.7
164.58266	0.3
175.03979	0.7
178.02715	29.8
180.17632	0.3
191.05603	1.5
193.05060	100.0
268.94815	0.4
305.12518	0.4
334.69543	0.4
341.58038	0.3
349.23468	0.4
355.10373	33.7
379.16141	18.3
428.32062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57617	2.0
66.52168	1.9
69.68998	2.0
89.68859	2.5
96.58791	2.2
100.01244	2.3
103.79755	3.0
105.07781	2.4
121.02919	5.2
122.03723	3.6
133.02951	3.6
134.03729	10.4
146.03738	4.2
149.02444	5.9
149.06076	18.5
150.03214	69.0
161.06009	2.9
162.03229	2.7
164.04770	5.9
165.05571	100.0
179.07187	4.0
181.05099	3.5
195.06630	11.9
255.06642	3.3
269.08264	4.4
281.08276	3.6
282.08914	10.6
295.09866	11.2
313.10721	17.4
325.10846	5.0
326.83911	2.4
327.12619	4.3
339.12198	3.5
449.16116	11.0
463.17880	2.8
475.17401	4.2
477.19489	3.2
479.16739	4.5
491.17105	3.4
493.19089	10.5
494.19351	15.1
506.19772	3.8
507.20340	3.8
508.21347	5.3
509.21796	14.4
521.21753	23.0
523.23529	4.3
563.22711	4.6
639.21570	4.0
642.24945	4.9
657.27527	17.3
669.26965	32.9
687.27814	18.6
699.28296	12.5
705.29254	72.2
717.29169	36.4
735.30566	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60762	0.4
59.01387	5.0
71.01378	2.4
72.99294	0.7
79.78736	0.4
79.95740	0.9
89.02443	2.0
96.96001	0.9
101.02433	1.8
106.40274	0.4
113.02408	0.8
119.03479	0.9
127.11282	1.8
141.44753	0.4
161.04558	0.8
171.10280	100.0
181.96626	0.4
205.05159	0.6
228.58545	0.4
251.90144	0.5
283.63504	0.5
353.10269	1.0
355.08200	0.5
437.16254	0.5
453.17148	0.5
583.18048	0.6
587.17914	0.8
599.17896	2.0
617.22565	1.8
629.22913	0.7
647.23083	0.8
654.72980	0.5
735.24933	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
63.96237	4.9
67.64026	0.9
69.19808	1.1
71.01384	10.0
72.99304	5.7
73.02940	5.5
73.98312	5.0
74.99093	15.6
76.12189	0.9
79.93562	0.9
85.02951	4.6
87.00871	23.4
89.02470	1.4
92.53893	1.0
94.57765	1.0
96.95954	1.0
101.02436	8.9
113.02439	5.9
115.04012	4.7
117.97301	3.9
132.99626	1.3
135.98360	15.4
136.99171	10.1
144.38591	1.0
149.23499	1.0
151.00650	1.3
161.04523	1.4
191.05640	9.1
239.31996	1.1
323.22275	6.4
369.21194	5.5
388.55557	1.2
513.27167	9.2
735.32935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16254	2.9
59.01381	21.5
71.01372	24.4
77.21111	2.6
78.95924	3.6
85.02946	5.6
85.82887	2.3
87.00867	13.9
89.02444	26.5
99.17134	3.0
101.02448	39.2
105.51289	3.7
108.45802	3.5
113.02446	15.7
116.92896	3.6
119.03500	4.2
125.02428	5.4
143.03514	5.1
152.99580	10.6
154.92987	3.4
161.04655	3.4
212.07542	3.4
235.08257	9.8
253.09352	3.0
277.21698	100.0
279.23367	4.3
304.06396	3.1
305.09186	3.7
326.09665	2.7
379.00159	3.1
397.13568	99.7
415.14600	48.3
595.29022	4.6
675.36200	28.4
737.01587	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64587	0.6
58.00575	0.7
59.01387	7.2
60.62170	0.5
64.84303	0.6
71.01376	7.9
73.02940	7.6
75.00864	2.6
85.02949	2.7
89.02453	1.3
101.02440	5.8
111.08130	1.0
113.02440	7.3
113.06063	0.6
116.92744	1.9
119.03522	0.7
123.16980	0.6
125.06064	0.7
132.08427	0.6
139.07608	0.8
161.04553	3.2
171.10257	10.6
196.50255	0.7
255.21230	0.9
261.22134	0.9
263.23822	0.8
273.22202	5.2
277.21750	100.0
278.22214	0.9
289.21582	0.8
291.23325	24.3
293.21356	0.9
295.22818	33.1
301.21738	3.9
319.22824	25.3
331.22870	3.2
349.23865	5.1
373.23416	0.7
387.20377	0.8
649.75891	0.8
681.69336	0.8
735.45636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.4
71.01367	1.4
71.45780	0.4
73.02953	1.2
75.00861	0.5
76.50622	0.3
85.02945	2.3
89.02439	0.7
95.01369	0.4
99.92593	0.4
101.02454	1.3
113.02454	4.8
113.09704	0.6
119.03485	0.8
121.66780	0.4
127.57174	0.4
135.99763	0.3
143.26285	0.4
160.81631	0.4
161.04564	1.8
179.14415	0.6
181.12471	0.4
195.13918	18.8
277.21747	28.5
291.23376	1.6
295.22803	100.0
319.22900	2.8
325.11420	0.4
331.22922	0.5
349.23669	0.8
457.71948	0.4
618.70734	0.4
766.15039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.7
62.75765	0.4
75.83509	0.4
82.34130	0.4
86.76449	0.5
120.87276	0.4
131.43271	0.5
138.80792	0.4
159.03194	0.5
160.04042	2.4
164.04773	0.9
223.06113	0.6
233.48424	0.4
242.78590	0.5
263.05875	0.7
266.04501	0.9
276.02945	0.6
278.04623	0.8
280.06207	6.7
292.06186	1.1
294.04153	11.0
308.05658	30.6
309.06491	14.0
324.08792	100.0
337.05902	1.9
352.08292	2.7
368.03152	0.8
368.07782	21.5
530.13312	0.7
573.39288	0.5
587.14862	0.5
589.89532	0.5
692.20380	0.9
736.18793	19.3
736.31140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.6
60.01731	0.6
61.98834	100.0
65.51254	0.4
71.01391	0.7
73.02959	0.4
73.57033	0.4
85.02962	0.5
97.20548	0.4
101.02474	0.7
110.75217	0.4
115.96060	0.4
131.72026	0.4
133.37335	0.4
152.53426	0.6
400.84366	0.5
497.14017	0.4
692.34216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19145	0.6
71.01369	7.1
72.99312	1.1
89.02423	0.9
89.95937	0.6
98.83349	0.7
115.00358	36.9
133.01425	100.0
299.12921	0.8
420.99335	0.7
440.78848	0.8
530.09369	0.8
546.01465	0.8
614.96008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34173	1.3
59.01384	3.2
71.01368	3.4
72.99300	25.2
73.99663	1.6
89.02447	6.8
114.34144	1.2
115.03942	2.2
119.52081	1.2
123.04538	7.7
133.01422	1.6
135.04532	9.0
179.03519	20.6
180.03831	2.5
197.04558	39.0
198.04971	4.8
216.79915	1.5
267.06778	1.5
277.09271	7.3
288.20514	1.6
310.10904	17.9
325.13232	93.1
330.88300	1.4
340.15579	100.0
360.61038	1.4
379.12534	2.0
391.51733	1.4
395.09756	1.6
538.20831	8.2
538.41656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
59.85247	0.5
65.16709	0.5
66.60627	0.6
71.07809	0.5
75.50460	0.5
78.95906	18.5
88.07223	0.6
94.96239	0.7
96.96919	0.9
120.81116	0.6
147.12396	0.6
152.99588	34.8
169.16077	0.7
171.00610	1.1
179.86845	0.6
181.85039	0.6
202.72403	0.6
277.21747	31.6
279.23309	69.2
736.49335	100.0
748.61646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65754	0.5
54.86807	0.4
58.36168	0.4
59.01374	3.1
68.24225	0.4
85.02939	3.3
87.00868	0.5
92.21107	0.5
93.03432	1.1
96.22511	0.5
111.04551	0.5
127.04034	0.8
133.05089	1.8
159.04485	1.9
173.04572	2.1
175.06233	0.5
191.05624	100.0
193.05089	0.9
203.03479	2.2
229.01410	7.8
281.04599	0.7
296.06946	0.7
298.08279	0.6
311.09241	2.4
313.10880	1.0
324.06396	2.1
335.72397	0.5
339.08783	7.2
353.08929	1.1
355.08456	0.8
357.09857	2.8
381.09882	0.6
383.07706	21.2
485.11179	0.7
503.11911	2.0
545.13135	8.4
563.14282	1.9
642.70782	0.6
647.16095	3.9
652.24164	0.6
677.17200	14.7
737.19415	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2312
Annotation	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
51.38157	0.5
51.93188	0.6
59.01380	4.3
60.99313	11.4
71.01361	1.3
85.02942	1.0
88.98799	100.0
89.02439	14.5
101.02457	1.4
103.54118	0.7
105.12045	0.6
144.42007	0.7
152.04768	1.0
166.02710	13.1
181.05072	33.1
199.77425	0.9
242.41603	0.7
337.12869	0.7
346.20038	0.9
387.10916	11.6
402.13367	11.4
417.15598	44.7
737.25952	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14407	0.2
72.99302	0.4
91.15491	0.2
92.22450	0.2
95.06423	0.2
105.04208	0.2
113.32710	0.2
118.78083	0.2
123.00888	1.2
135.04532	1.2
138.03229	6.8
153.05565	5.8
166.99852	1.4
179.03513	1.4
182.02220	28.0
191.05583	0.5
197.04572	100.0
199.94006	0.2
277.71585	0.2
339.08887	0.3
359.09882	10.3
372.04373	0.2
383.07874	1.2
399.11038	0.2
440.95895	0.2
445.54596	0.3
462.90543	0.2
632.31366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44463	0.3
59.01140	0.5
59.01388	7.9
68.97913	0.4
71.01368	1.7
72.99306	1.1
79.17588	0.4
81.25595	0.4
81.96591	0.4
87.00867	0.6
88.98809	3.0
89.02423	0.9
101.02401	1.7
113.02447	0.7
115.03976	0.4
137.02519	0.7
151.00427	0.7
152.04803	0.8
161.04559	1.1
166.02695	25.0
167.03448	0.7
168.13914	0.5
177.01962	0.6
179.07056	0.7
181.05078	67.5
181.12277	0.5
186.45154	0.5
205.05069	0.8
213.29762	0.4
238.54279	0.5
341.10376	0.6
356.12625	1.0
357.09610	0.6
357.13565	0.5
359.11609	0.7
387.10928	27.0
395.32968	0.4
402.13226	19.6
417.15610	100.0
737.24738	2.8
737.36261	0.8
756.42932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53680	2.7
59.01384	75.4
71.01393	6.5
75.00854	7.1
85.67960	3.3
92.22411	3.9
101.02439	8.4
103.00367	95.3
103.04016	8.4
105.23277	3.2
113.02452	3.3
116.39410	3.4
161.04573	8.5
161.13339	25.2
187.11319	7.7
192.01396	4.1
205.12346	32.9
269.10199	6.2
283.06094	12.3
293.80786	3.7
361.38348	3.8
383.13455	6.4
401.14462	18.7
493.22916	4.0
589.26807	6.4
608.73004	4.6
633.25769	17.9
693.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79075	1.1
56.88549	1.0
59.01381	54.3
71.01373	22.2
76.23273	1.2
85.02940	2.3
89.02435	31.5
97.02946	20.4
101.02434	25.6
113.02431	8.2
115.03999	40.1
119.03488	19.2
133.01385	1.5
135.63931	1.3
179.05736	1.6
180.23305	1.3
236.42166	1.4
277.09320	30.0
375.13000	100.0
445.60992	1.5
446.89371	1.4
654.20111	1.8
663.94855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34417	1.1
59.01383	67.0
71.01376	55.4
72.99278	1.4
73.02949	5.2
84.82851	1.6
85.02943	9.9
87.00883	5.3
89.02437	76.8
97.02929	10.5
99.00909	1.5
101.02438	56.3
105.48931	1.2
113.02438	43.9
115.04009	15.2
117.05579	5.4
117.98457	1.5
119.03496	40.2
130.08731	1.3
131.03458	1.5
139.04012	5.6
143.03456	3.0
149.04620	1.3
161.04535	10.5
179.05603	2.3
191.05647	2.2
212.40204	1.5
222.97316	1.4
241.59290	1.4
261.09851	24.2
270.79559	1.6
279.10892	28.3
289.42441	1.5
296.43991	1.5
310.80154	1.3
327.42642	1.5
359.13596	10.2
368.10397	1.6
368.22327	1.4
377.14526	6.5
399.50870	1.6
639.25183	86.3
677.49713	2.6
737.28906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
66.01899	0.8
67.62338	0.9
71.01385	2.0
76.53172	0.8
90.66243	0.7
101.02457	1.1
117.03471	4.4
119.05038	3.5
140.87619	0.8
141.89493	0.8
145.02959	100.0
159.76566	0.8
163.04007	10.1
189.05635	4.5
191.05655	1.5
205.05069	1.1
265.18002	1.0
268.03711	1.8
283.06152	8.3
284.06433	3.6
285.06775	1.1
405.24850	1.3
639.31818	71.9
737.36389	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.5
71.01379	22.0
73.02960	2.8
78.95907	2.3
81.03432	1.3
82.93334	1.2
83.01404	1.6
87.00836	1.5
89.02434	28.0
91.04039	1.2
97.02924	3.1
101.02434	20.7
113.02425	6.1
119.03480	7.0
121.79164	1.4
125.02419	7.1
133.05064	1.5
152.99590	2.3
161.04565	1.7
186.84843	1.4
235.08154	7.2
279.23306	100.0
397.13528	80.0
415.14590	21.8
423.16440	1.4
677.37524	51.9
737.39655	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.1
62.43749	0.9
71.01380	17.1
73.02946	4.9
83.01398	1.4
85.02942	5.7
87.00872	12.5
89.02433	18.5
92.48299	1.0
97.02927	4.4
101.01810	1.2
101.02439	25.7
113.02438	14.9
119.03474	4.6
125.02422	7.9
130.91592	1.0
135.19531	0.9
143.03496	5.7
149.96877	1.1
161.04526	2.2
179.05574	2.1
196.04337	1.2
221.06647	1.5
235.08244	5.6
250.97284	1.1
253.09341	1.8
279.23309	100.0
287.07892	1.2
305.08780	2.1
355.28885	1.2
397.13547	76.7
415.14697	27.4
677.37628	33.5
737.40442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.8
61.53825	0.6
64.13197	0.6
71.01379	2.9
99.00858	0.9
100.83290	0.8
101.02441	1.3
107.23353	0.7
108.26379	0.9
113.02460	1.2
149.23790	0.8
150.94522	0.7
153.18782	0.7
179.85089	0.8
277.21753	100.0
279.23175	0.8
373.53976	0.9
399.23889	1.8
417.24878	4.0
677.46521	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94004	0.4
56.82381	0.4
59.01371	4.8
70.71917	0.4
88.00066	0.4
95.05009	0.8
103.09325	0.5
108.32219	0.4
112.07674	5.8
112.57886	0.4
113.06075	2.3
118.94508	0.6
129.10326	3.2
130.08734	11.6
171.39674	0.5
207.15085	4.4
208.13484	0.7
224.17677	2.0
225.16093	27.3
242.18683	0.7
280.93393	0.5
306.69244	0.5
320.23523	2.5
337.26172	3.1
338.24545	5.3
390.36185	0.6
433.31946	2.1
450.34402	1.1
451.33118	3.4
563.42603	1.9
600.94659	0.6
655.86829	0.5
659.48364	6.5
677.49823	100.0
737.52252	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24582	1.0
57.38065	0.8
58.00588	1.9
59.01385	8.3
71.01381	9.9
73.02946	12.3
75.09411	1.0
85.02947	2.1
101.01734	1.1
101.02438	5.3
113.02412	7.3
116.92808	1.3
125.06055	1.7
143.03503	1.3
155.14455	1.2
161.04630	1.3
171.10239	1.8
195.13899	1.2
197.11859	2.4
251.23772	1.1
263.23788	4.6
275.23813	5.6
277.21777	6.8
279.23300	100.0
293.24890	45.7
295.22812	62.6
303.23331	6.2
321.24359	30.7
351.25473	5.3
737.42194	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48160	0.3
58.66889	0.3
59.25360	0.3
61.98833	100.0
69.61788	0.3
70.23121	0.3
72.80088	0.3
74.89359	0.3
75.60252	0.3
87.81557	0.3
118.01964	0.3
137.04626	0.3
146.26994	0.3
205.93155	0.4
227.31792	0.4
234.61319	0.4
269.04175	0.4
283.06189	3.0
284.06470	4.0
285.06854	2.3
286.06955	0.7
344.87210	0.4
682.85956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28355	0.6
64.18514	0.6
69.36575	0.6
74.95045	0.7
85.58442	0.6
90.05813	0.7
95.70646	0.7
100.02195	0.6
117.70167	0.6
121.66591	0.7
144.29758	0.7
160.04028	6.5
161.02556	0.7
162.05614	12.2
164.04790	1.6
183.44083	0.7
190.02686	3.7
193.01418	1.2
205.05040	7.5
209.00630	0.7
223.06252	1.3
252.06682	1.1
252.81122	0.9
254.63321	0.8
268.06149	4.1
280.06088	8.4
282.07516	1.1
295.04779	1.2
296.05655	22.9
310.07245	14.1
311.08099	13.1
326.10364	100.0
338.06448	1.3
352.08188	4.3
359.06216	0.9
367.10260	5.9
370.09335	8.8
459.38910	0.9
530.16547	1.4
620.88660	0.8
678.49799	1.0
738.20313	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	46.7
64.17486	1.9
84.88892	1.8
103.07886	2.2
108.82757	2.3
109.28339	1.9
113.45508	2.0
127.41508	2.0
142.44861	2.6
146.03787	10.5
149.06087	9.2
161.06099	9.7
164.04779	4.4
166.91306	2.0
179.07143	26.6
286.44778	2.0
306.04120	43.2
308.05826	10.7
321.06461	24.8
322.07260	37.0
323.08014	10.6
335.07825	2.7
336.08826	100.0
337.09625	38.9
338.10339	10.9
486.15509	3.1
498.15637	4.4
516.16736	93.5
598.61993	2.5
738.23145	3.0
765.38000	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99871	1.3
59.01383	41.0
60.95452	1.3
66.18483	1.1
66.34869	1.3
71.85438	1.4
72.29964	1.3
91.92065	1.4
110.33514	1.4
146.03729	9.1
149.06113	2.8
161.06078	9.8
164.04764	5.7
179.07147	28.6
278.04523	2.5
306.04102	53.2
307.04807	2.9
308.05472	5.7
308.09079	1.6
314.91608	1.5
321.06479	21.4
322.07248	23.8
323.07986	9.7
336.08826	100.0
337.09555	30.9
338.10364	6.8
486.15311	3.0
498.15948	2.2
516.16663	58.9
738.22900	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
59.84328	0.3
61.98834	100.0
71.01369	0.5
71.06396	0.3
82.45931	0.4
83.94584	0.3
89.02440	0.5
90.12265	0.4
91.02867	0.4
101.02453	0.7
114.23507	0.4
119.01806	0.4
119.89418	0.4
213.37167	0.4
277.11411	0.4
277.21802	0.9
278.22125	2.3
279.22366	0.8
322.10184	0.5
398.14072	0.9
399.14169	1.9
400.14523	1.5
417.15375	0.7
446.24664	0.4
678.37225	2.0
690.99963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89956	0.4
54.19070	0.4
56.24332	0.4
59.01377	2.0
61.98832	100.0
71.01378	1.9
73.02969	0.5
81.50110	0.4
88.44853	0.4
89.02436	2.0
101.02441	2.1
101.43782	0.6
110.25052	0.5
156.14273	0.6
254.90178	0.5
277.21774	2.0
278.22211	2.4
350.37329	0.5
397.13895	0.8
398.13983	1.2
399.14160	2.5
400.14471	1.0
416.15140	0.6
443.38867	0.7
453.27768	0.6
470.75043	0.5
678.37018	2.1
729.84467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.8
59.01388	4.8
71.01382	1.1
71.17626	0.7
75.00880	1.1
76.04349	0.7
81.32929	0.6
83.01395	0.8
85.02950	100.0
87.00865	0.9
89.02463	0.9
100.62389	0.7
101.91315	0.6
103.00401	0.8
111.00861	4.1
115.00335	0.8
118.87292	0.6
120.55218	0.6
129.01920	6.4
134.03772	1.3
147.02992	9.2
158.52789	0.6
163.04092	1.0
179.03540	0.7
182.22725	0.7
191.00266	1.2
191.01996	31.3
193.05060	3.9
209.03006	9.8
265.74146	0.8
267.07285	0.8
279.76395	0.7
353.09164	0.9
385.07822	51.2
577.15485	1.3
661.67371	0.8
739.21246	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03447	8.5
58.27567	0.7
59.01384	7.2
63.66846	0.8
71.01357	3.5
73.02969	0.8
84.02168	0.9
85.02945	100.0
89.02440	1.7
101.02430	3.8
101.19877	0.8
103.00424	1.1
104.18719	1.0
110.52337	0.9
111.00871	4.3
113.02472	1.6
129.01936	9.0
135.04497	5.9
147.02966	7.1
155.03513	1.2
163.04063	1.0
163.09747	0.9
179.03511	12.2
191.01993	27.5
191.05614	21.4
193.05005	1.5
209.03020	5.5
213.74881	1.2
232.84210	0.9
246.12946	0.9
260.96185	1.0
268.80136	1.1
273.83661	0.9
353.08853	18.9
385.07806	52.0
425.16971	7.0
555.95685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.7
65.03554	1.0
71.01370	9.2
75.00866	5.8
81.03458	1.3
85.02947	23.2
86.47196	1.2
87.00874	5.2
89.02452	5.4
93.03452	18.4
99.00877	8.0
109.02927	1.7
111.04531	9.8
113.02441	22.7
115.00362	6.9
119.04999	7.4
127.04012	19.3
129.01904	1.7
135.02921	1.6
135.04515	7.3
137.02458	2.6
147.04605	1.3
155.03526	16.4
157.01398	5.0
161.02422	2.8
163.04045	12.5
173.04558	48.6
179.03516	16.0
189.05563	1.9
191.01994	4.8
191.05630	100.0
193.13058	1.4
196.82957	1.5
199.02480	13.1
205.05104	1.4
211.07675	17.5
217.08717	2.6
249.06160	7.4
261.07709	1.6
263.68317	1.3
267.07254	20.4
272.06943	9.9
287.09314	36.7
299.09241	1.9
300.10089	11.3
315.12506	13.9
326.08099	2.6
327.08713	2.2
338.85532	1.5
341.10303	5.4
353.08890	12.2
385.07883	8.6
403.10434	6.8
577.15729	18.9
619.16486	2.1
641.19189	1.4
649.17621	2.1
679.18701	15.7
739.20996	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00586	0.2
56.87846	0.3
57.16805	0.3
59.01380	1.8
67.25151	0.3
72.99309	2.4
75.00869	4.4
87.00877	3.1
92.22515	0.3
103.00391	1.1
105.01935	100.0
183.08675	0.3
183.84071	0.3
211.58482	0.3
283.06253	0.6
365.91391	0.4
513.54309	0.3
600.92310	0.4
655.18518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
59.72180	1.3
77.28964	1.4
79.04048	1.4
85.02943	3.4
87.00850	1.8
88.38615	1.8
89.02430	1.9
93.03439	13.1
95.30104	1.3
111.00912	2.0
111.04507	5.7
112.03178	1.3
113.02455	2.9
119.15330	1.5
127.04132	1.5
135.04526	32.2
137.02431	3.5
142.80699	1.4
145.34633	1.4
155.03508	9.7
161.02423	3.1
163.04012	3.5
173.04546	100.0
179.03491	66.1
183.59471	1.6
187.35345	1.5
191.05637	64.8
249.06024	1.8
267.07245	5.7
287.09378	8.9
300.10068	7.3
315.12332	8.7
341.10172	3.7
353.08795	83.4
355.91251	1.7
396.92419	1.8
401.11819	1.7
577.16040	11.3
589.31720	1.8
679.19434	2.7
739.20868	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46655	0.4
55.58083	0.4
59.01375	2.4
59.64651	0.5
72.99299	2.9
75.00864	2.6
80.66811	0.5
80.74244	0.5
87.00865	5.7
90.59193	0.5
97.88174	0.5
103.00369	1.3
105.01926	100.0
263.50296	0.6
353.56540	0.6
724.32129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30441	0.3
59.01381	1.5
59.76423	0.3
62.83723	0.3
72.99295	2.1
75.00874	5.1
87.00862	2.4
99.44843	0.3
103.00361	0.6
105.01929	100.0
116.92854	2.9
121.01242	0.4
122.59724	0.3
150.24442	0.4
155.80191	0.3
172.93655	0.3
224.49049	0.4
283.06158	0.5
307.77777	0.4
651.29303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67833	0.3
59.01382	0.5
59.06954	0.3
66.78797	0.2
68.20286	0.3
85.02957	1.7
89.02451	0.5
90.42059	0.2
93.03429	1.8
101.02443	0.3
113.02411	0.4
127.04004	0.4
135.04514	1.8
145.02957	2.9
155.03464	0.4
161.02448	5.9
163.04134	0.9
165.29994	0.3
173.04564	5.2
176.68599	0.3
179.03545	1.6
191.05629	100.0
192.05992	0.4
195.60675	0.3
197.76538	0.3
206.07793	0.3
224.56662	0.4
241.75406	0.3
243.41524	0.3
243.83054	0.3
272.07019	0.4
282.05292	0.3
287.09280	2.9
300.10056	0.4
302.69678	0.3
315.12323	0.3
337.09210	1.4
341.10165	0.3
353.08813	24.7
385.11642	3.2
497.45087	0.3
559.18268	0.4
679.18689	0.6
739.20691	5.7
739.31488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2385
Annotation	(+)-Jasplakinolide Z5
Peak:m/z	Relative Intensity
53.47779	8.5
59.31007	8.3
60.93743	10.6
155.85196	11.1
178.02721	12.2
218.71683	13.4
233.93047	12.0
374.27295	12.8
573.56683	14.7
739.23523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
57.66921	0.9
59.01385	7.0
67.61813	0.9
69.03460	1.1
71.01067	0.9
71.01382	18.0
72.99300	3.9
74.79502	1.0
75.00519	1.0
75.00875	21.4
77.42706	0.9
85.02927	4.0
87.00864	4.7
89.02425	4.4
96.95992	1.7
97.02924	1.7
99.00873	13.6
101.02412	1.2
111.00903	1.4
113.02448	1.1
129.01921	9.7
149.02396	4.1
164.04803	28.3
165.05606	1.8
167.36000	0.9
177.04056	14.8
179.05733	1.5
179.07156	24.1
190.02718	1.2
195.06631	1.9
205.04942	2.2
207.02876	1.1
208.03645	1.2
209.04494	3.8
222.05263	4.5
223.06099	6.7
237.07614	1.7
349.09128	1.5
370.96368	1.1
449.14572	1.2
463.16193	8.1
471.29019	1.2
491.55289	1.2
537.53687	1.0
561.20703	1.3
584.63696	1.1
677.65558	1.1
739.24445	100.0
764.05151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
67.57273	0.9
71.01374	4.7
73.02927	1.2
83.01380	0.9
85.02952	1.4
87.00843	0.8
89.02419	1.7
99.00850	1.7
101.02423	2.0
113.02415	5.2
121.02957	1.6
128.60379	0.9
147.04514	5.2
149.02437	37.9
161.04538	2.0
164.04796	100.0
166.92448	0.9
173.04501	1.5
175.00449	1.1
179.07138	13.4
190.02705	13.7
195.06558	0.9
205.05086	16.5
208.03806	8.9
223.06125	91.9
269.10233	1.8
394.92590	1.0
406.23810	0.9
515.17352	1.3
542.83319	1.2
612.32251	0.9
631.18402	1.1
739.24512	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22623	0.7
55.41771	0.8
56.68656	0.9
59.01385	2.0
71.01366	1.3
73.02924	1.0
84.27738	0.7
89.02433	1.0
97.53716	0.8
101.02387	1.1
121.02897	0.9
124.05109	1.0
141.91043	0.9
147.00816	1.1
149.02428	6.9
163.03993	3.5
164.04788	14.2
164.68489	1.0
165.05458	1.2
175.00371	10.4
179.07085	2.0
190.02736	70.8
191.03477	3.9
205.05078	69.2
206.05972	1.6
208.03786	1.2
209.04538	4.4
221.08156	1.4
223.06180	9.1
237.07652	1.2
251.05505	2.0
265.07211	3.8
285.11249	1.1
308.17755	1.0
334.69916	1.0
597.51038	1.0
676.78998	0.9
676.90900	1.0
704.60175	1.0
711.29883	0.9
739.26160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03828	1.1
53.70972	1.2
53.98687	1.1
56.96954	1.2
57.27660	1.2
67.01879	1.6
70.89232	1.2
71.01423	1.4
72.99300	21.5
79.49963	1.4
111.00877	100.0
119.04994	2.6
123.04494	2.7
135.04544	11.8
139.08061	1.4
163.04015	16.1
179.03529	25.8
181.05074	92.4
188.29263	1.3
197.04562	68.0
198.04799	1.5
267.10922	6.2
343.10364	53.5
359.09900	52.4
361.10046	1.7
379.12418	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03449	0.5
59.01107	0.7
59.01385	16.9
59.01681	0.7
64.45684	0.6
68.07329	0.4
71.01376	21.6
72.99323	0.6
73.02931	7.1
83.01379	3.1
85.02947	9.6
87.00859	0.8
89.02438	14.5
93.54726	0.5
95.01390	2.3
99.00877	2.0
101.01774	1.0
101.02438	26.0
101.06054	0.5
106.04239	2.2
107.05019	13.3
113.02445	15.0
119.03492	6.1
125.02443	0.7
141.43439	0.5
143.03513	1.2
151.04013	18.8
159.02965	1.2
161.04568	9.4
175.68851	0.7
179.05568	0.6
193.00494	0.5
194.42747	0.6
221.06650	1.1
263.11371	6.5
313.09344	8.5
385.11484	0.6
425.16708	100.0
739.26593	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.89408	0.3
63.50828	0.3
71.01388	0.7
72.99307	14.7
80.29865	0.3
83.70780	0.3
85.02903	0.3
86.72898	0.3
89.02445	0.7
98.15883	0.3
101.02447	1.3
109.73997	0.3
110.73952	0.3
113.02449	0.3
123.00851	0.7
123.04484	3.0
133.01430	0.4
135.04521	4.9
135.08119	0.4
138.03224	2.4
153.05579	3.7
166.24069	0.4
179.01915	0.6
179.03505	17.8
179.52119	0.3
182.02205	12.9
197.04567	100.0
359.09872	41.0
359.13361	1.8
443.18121	0.4
507.10699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95654	0.6
59.01384	38.4
66.05276	0.8
70.27028	0.6
71.01369	3.2
72.99303	1.7
85.02950	1.2
88.98777	5.3
89.02441	5.5
91.83728	0.8
101.02423	3.7
113.02444	2.9
134.03777	8.8
137.20949	0.8
149.06087	4.4
160.01657	20.9
173.80403	0.8
175.04004	96.6
178.02606	1.2
179.03596	1.0
181.05051	4.6
182.05391	0.9
188.76196	0.7
192.45456	0.7
193.05070	15.2
255.56024	0.8
418.15955	1.3
419.16190	4.5
439.16153	100.0
739.27533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63832	0.6
53.26451	0.8
67.01886	0.9
67.91580	0.7
71.01365	0.9
90.20984	0.8
93.03436	10.0
111.04510	3.8
135.04523	33.7
137.02429	5.8
138.87010	0.9
151.38951	0.8
155.03505	7.0
161.02461	3.4
170.49130	0.8
173.04550	100.0
179.01912	2.0
179.03508	76.6
191.05621	51.0
353.08823	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19849	0.3
74.10162	0.3
78.95892	0.6
99.92588	3.3
115.35233	0.4
116.92849	100.0
117.01930	0.6
152.99611	0.7
169.35512	0.4
207.55199	0.4
279.23398	2.5
280.23633	1.6
602.05994	0.4
630.89337	0.4
649.94818	0.4
739.51593	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56994	0.4
59.01364	0.7
62.73267	0.5
85.61118	0.5
92.22514	1.2
96.25246	0.6
112.74760	0.6
117.10326	0.6
149.02475	1.1
164.04788	13.1
179.07124	16.5
180.24689	0.5
181.19164	0.6
207.49733	0.7
208.03780	16.3
221.08035	0.6
222.05455	0.8
223.06128	100.0
265.07169	0.8
353.17963	8.1
371.18750	1.0
385.11023	0.6
412.60080	0.6
739.30182	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08088	1.2
54.57355	1.2
57.30251	1.2
59.01382	67.5
59.33538	1.3
63.27338	1.1
67.06497	1.4
68.95749	1.4
71.01381	29.4
83.01422	1.6
85.02937	5.7
87.84985	1.4
88.52612	1.7
89.02441	58.5
95.01337	1.8
97.03001	1.7
101.02431	35.9
105.58201	1.4
109.89867	1.5
113.02455	13.3
115.03998	30.2
119.03481	23.4
179.05673	2.6
206.76524	1.7
234.26762	1.5
249.37038	1.3
253.62617	1.4
267.62000	1.4
279.10880	75.2
281.28427	1.5
377.14560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44176	5.0
59.01363	10.9
71.01381	13.9
89.02435	6.6
92.23096	9.1
96.95994	11.5
101.02452	7.2
105.01947	5.9
106.59900	7.3
116.92845	100.0
164.04768	8.7
209.97464	7.3
223.06248	7.9
232.07301	7.3
370.69815	7.6
381.53220	6.7
455.31763	14.5
517.31848	13.6
589.77795	8.2
679.37219	69.3
739.24341	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36367	0.8
56.23219	0.8
57.03443	0.9
59.01103	1.3
59.01382	28.8
71.01379	18.0
73.02939	1.1
77.74960	0.8
83.01376	1.5
85.02924	3.7
87.00857	3.6
89.02439	23.4
91.03935	0.9
95.01392	1.9
97.02940	4.2
99.00906	1.2
101.02444	21.3
107.00036	0.9
113.02445	10.8
119.03469	5.2
125.02451	8.9
131.03510	1.0
133.05061	1.1
143.03445	1.9
152.99544	1.2
160.49988	0.9
161.04552	3.8
179.05635	1.2
215.97229	0.9
219.94838	0.9
221.06645	1.4
235.08174	4.3
265.71271	0.9
281.24884	100.0
287.07837	1.5
397.13556	69.4
415.14685	16.3
679.39197	40.6
739.42224	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05946	0.7
59.01382	32.2
61.69749	0.8
71.01379	17.6
73.02950	3.3
74.41331	0.8
80.60608	0.8
81.03432	0.9
83.01386	1.4
85.02944	3.3
87.00870	4.0
89.02441	24.8
95.01422	1.1
97.02946	4.3
99.00846	1.0
101.02440	20.4
105.13444	0.9
111.04498	1.2
113.02441	9.7
119.03495	5.6
125.02472	7.2
133.05086	0.8
134.66367	0.8
143.03534	1.9
157.54439	0.9
161.04601	5.5
179.05594	1.2
181.04878	0.9
235.08293	6.5
253.09145	1.3
281.24896	100.0
295.02936	1.0
305.08752	2.1
328.07904	1.0
397.13577	72.3
415.14551	16.8
417.20398	1.2
466.95938	0.9
679.39215	48.2
739.30518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98630	1.4
59.01381	21.3
62.34637	1.4
71.01379	18.7
73.02928	2.6
78.95898	3.2
83.01396	1.8
85.02959	6.8
85.91621	1.5
87.00858	13.7
89.02428	17.0
90.19959	1.8
97.02956	1.8
101.02434	27.6
102.53697	1.8
113.02435	15.1
115.69991	1.8
116.92826	1.5
119.03484	3.5
124.40785	1.8
125.02448	4.2
143.03493	3.5
152.99644	2.9
161.04596	2.2
171.10327	2.0
205.29959	1.8
212.14357	2.0
223.59288	2.0
235.08255	4.0
281.24881	100.0
293.21371	1.8
295.26358	3.6
295.29675	1.9
397.13535	69.1
415.14618	26.7
465.50626	1.8
679.39215	30.0
723.32013	2.6
739.41296	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97568	0.6
61.98829	41.8
78.49210	0.8
78.95898	32.1
91.85813	0.7
94.22417	0.6
96.95976	0.7
96.96943	3.4
105.12456	0.7
116.92835	0.6
118.44759	0.6
120.51712	0.6
131.14206	0.6
152.99576	100.0
171.00598	1.7
245.33118	0.7
277.21701	3.1
290.07275	0.7
304.91809	0.7
431.22055	54.3
659.96246	0.8
684.76807	0.9
765.65369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99438	0.7
59.01381	3.5
59.97374	0.7
70.60221	0.7
71.01376	1.7
80.96515	2.1
81.92934	1.0
87.00900	1.0
89.02482	1.0
89.74635	0.9
97.06568	0.9
99.00880	30.1
99.61149	0.8
99.67744	0.9
101.02431	1.3
113.02455	1.2
125.09708	9.5
151.15749	1.0
161.04439	1.1
163.11255	5.3
176.15016	0.9
181.12363	9.2
199.13354	4.2
207.10294	23.1
219.87779	1.0
225.00932	1.8
225.11333	42.0
228.58871	0.9
243.12383	15.9
277.21741	37.8
442.94016	1.1
602.87537	1.1
635.87091	1.0
739.42743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78442	1.0
54.76763	1.0
59.01368	4.9
61.98827	1.6
70.67357	1.0
71.01369	2.5
75.69342	1.1
78.95875	4.2
80.96489	1.7
81.57442	1.2
99.00880	23.3
100.93105	1.2
101.02452	1.4
125.09707	7.4
152.99585	2.3
163.11308	2.7
164.98587	1.2
181.12360	12.3
199.13397	7.1
207.10269	21.7
207.60425	1.2
225.00717	1.6
225.11346	60.4
243.12396	33.4
277.21759	31.8
293.21140	1.4
461.20386	1.6
476.77353	1.2
479.21307	2.4
491.57309	1.2
565.31116	1.4
621.86157	1.2
721.42188	8.5
739.42780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55862	3.0
55.53842	3.1
69.27933	3.2
72.99309	49.0
113.65478	3.5
123.04519	7.1
134.03711	26.2
135.04530	7.9
137.02382	8.0
150.03194	6.7
178.02684	15.1
183.25334	3.7
197.04526	5.1
197.73300	4.1
242.56750	4.4
251.23389	3.9
295.07458	3.9
305.65915	4.2
334.03494	5.2
349.06085	6.6
364.08267	15.2
429.04227	4.0
525.47729	4.4
669.74451	4.9
740.16266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05011	0.6
59.01380	3.2
59.12943	0.6
60.72450	0.7
60.72771	0.6
71.01365	0.7
76.77041	0.7
81.03466	4.1
82.55515	0.7
83.05024	2.6
85.08340	0.7
93.03425	1.1
109.02925	1.2
111.03762	1.6
111.04523	38.5
112.89360	0.7
113.02437	0.9
115.28535	0.7
119.04990	1.7
127.04013	100.0
137.02449	7.3
155.03505	71.6
163.04013	6.2
191.05623	3.8
199.02502	63.1
199.04419	1.1
217.03476	1.1
363.07272	28.9
363.11496	1.1
363.16736	4.5
442.32913	0.9
740.22174	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40340	0.7
57.21017	0.7
63.29581	0.6
70.02972	11.8
82.02986	7.4
91.05531	11.2
101.35839	0.8
110.45737	0.7
111.67623	0.8
112.12160	0.8
113.02456	1.9
118.06620	5.6
120.54239	0.8
132.48070	0.7
140.09001	0.7
147.04570	7.4
174.09247	23.0
218.08240	100.0
219.04372	0.9
265.08301	46.1
295.47650	0.9
330.85419	0.9
541.36133	0.8
591.18182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.8
62.21569	0.4
70.44818	0.4
71.01371	2.8
73.02948	0.5
75.21179	0.4
83.01376	0.5
85.02948	2.3
89.02420	2.6
97.02335	1.0
97.02940	20.8
98.33233	0.5
101.02434	3.0
104.41560	0.4
104.62403	0.5
111.13391	0.4
113.02435	2.3
115.04006	13.2
119.03481	0.7
120.85728	0.5
126.87370	0.5
159.04446	0.8
161.04477	0.9
188.03534	2.0
247.06581	0.8
260.00214	0.5
260.07162	2.0
261.08023	1.0
262.08771	8.9
263.11337	16.2
263.66724	0.6
275.05872	0.7
278.08234	2.6
288.06754	7.4
290.08289	9.4
303.05356	1.0
305.06952	5.6
306.07742	19.1
308.09381	1.1
316.06152	1.9
318.07733	20.9
334.07272	0.7
336.08850	3.7
343.14096	0.8
393.52591	0.5
434.12479	100.0
468.40387	0.5
582.19928	2.6
680.23865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69501	0.9
55.43494	1.0
56.72475	0.9
59.01382	54.2
71.01365	2.4
76.65006	1.1
80.28497	1.0
83.02525	1.3
86.07277	1.1
89.02434	1.5
97.02930	22.2
101.02454	2.4
113.02449	1.7
115.04015	11.7
176.57532	1.0
188.03429	1.4
255.06206	1.3
261.07639	1.4
262.08813	8.2
263.11362	19.2
278.08096	1.8
288.06680	7.7
290.08282	10.4
305.06940	2.8
306.07751	19.3
306.11139	1.8
316.06067	1.9
318.07767	19.1
421.17398	1.2
434.12500	100.0
582.20056	1.4
595.27252	1.5
651.77850	1.1
680.24023	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75426	0.8
59.01379	57.5
69.12345	1.0
69.34191	1.0
71.01393	3.6
73.02906	1.2
84.27415	0.9
85.02954	1.7
87.53126	0.9
89.02438	2.0
97.02936	25.3
101.02444	4.0
104.46243	0.9
108.33167	1.2
112.62238	0.9
113.02456	1.9
115.03992	16.3
119.03542	0.9
125.67514	1.1
188.03546	4.5
197.70154	1.0
211.60330	0.9
260.07397	1.3
261.07968	1.7
262.08768	8.3
263.11377	19.4
278.08273	1.5
288.06720	10.8
290.08255	11.5
303.05417	1.8
305.06937	6.5
306.07770	25.4
311.63358	1.0
318.07758	19.8
336.08789	4.7
339.54132	1.0
360.12308	1.7
385.34271	1.0
421.16968	1.4
434.12488	100.0
582.19775	3.9
680.23877	1.6
696.87683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21432	0.3
53.26114	0.3
55.13927	0.3
55.79375	0.3
59.01387	2.4
71.01375	12.4
72.99267	0.7
76.52604	0.4
78.08829	0.3
80.27198	0.3
85.02939	0.6
87.19682	0.3
88.04035	1.7
89.02446	3.8
91.44153	0.4
92.22476	0.4
101.02435	3.4
113.02436	1.4
119.03472	1.7
128.07159	0.5
131.79128	0.5
146.08234	41.7
147.68768	0.4
161.04510	0.8
161.61053	0.4
179.03491	0.8
181.05078	0.7
197.04565	4.2
200.09253	2.1
218.10355	0.8
263.11252	0.6
280.93362	0.4
308.13574	8.0
359.09866	2.1
362.14612	1.7
380.15668	100.0
517.88428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13745	0.3
59.01376	2.4
70.06891	0.5
71.01015	0.6
71.01380	11.8
71.04986	0.5
73.02950	0.5
88.04024	1.7
89.02447	3.5
94.85909	0.4
101.02443	4.1
113.02419	2.3
116.03497	0.6
119.03503	2.2
146.08235	42.5
161.04541	1.5
179.03514	0.8
197.04591	3.5
200.09322	0.8
200.84615	0.4
218.10385	0.9
263.11441	0.8
308.13586	9.1
359.09875	1.9
362.14575	0.8
380.15662	100.0
472.47882	0.4
517.80969	0.5
596.09717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.1
59.01384	14.8
71.01369	7.9
73.02943	0.8
74.80225	0.5
79.51768	0.5
85.02942	1.0
89.02435	11.7
95.01475	0.5
101.02441	6.4
101.41029	0.6
102.32124	0.6
113.02439	3.9
119.03474	4.4
153.19803	0.6
163.11250	3.1
181.12344	30.6
182.15755	0.5
186.57904	0.6
194.53493	0.5
207.10205	1.4
225.11334	46.7
239.59393	0.5
243.12498	0.8
312.24225	0.6
374.26584	0.6
405.17706	100.0
425.75781	0.6
434.12241	0.8
526.22778	0.6
653.54376	0.7
694.32159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.8
61.98833	100.0
71.01368	2.3
74.37302	0.5
83.12366	0.5
84.29787	0.4
89.02463	2.3
97.95167	0.5
101.02446	1.2
113.02419	0.5
191.01477	0.5
279.23386	4.0
280.23752	4.5
280.48093	0.7
281.23950	2.6
382.03400	0.5
386.23236	0.5
397.13486	2.0
398.13898	2.5
399.14194	3.3
400.14456	1.3
417.15317	0.7
680.38470	4.0
740.42114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.63833	0.4
61.98833	100.0
65.43224	0.3
65.69540	0.4
70.88694	0.3
71.01369	0.6
74.31815	0.4
74.52338	0.4
80.96499	0.4
86.62675	0.4
89.02437	1.9
92.23071	0.5
96.42250	0.4
101.02457	0.8
113.02423	0.4
161.46446	0.5
186.34729	0.5
279.23401	2.1
280.23718	1.7
281.23920	0.7
321.49277	0.4
399.13931	2.0
400.14523	0.7
680.39008	1.9
718.47784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33419	0.3
56.04114	0.3
61.98832	100.0
78.92992	0.3
92.22487	0.5
175.50055	0.4
241.42485	0.4
272.56097	0.4
380.73590	0.4
669.11676	0.5
670.41412	0.5
680.50983	3.6
740.49390	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54682	0.7
57.47020	0.6
59.02002	0.5
59.25590	0.7
66.32502	0.6
67.87713	0.6
68.05360	0.8
68.87038	0.7
77.03986	0.9
83.22321	0.7
97.02895	0.7
108.15228	0.8
114.71654	0.8
121.02952	100.0
133.31366	0.8
165.01921	36.6
169.49957	0.7
181.06575	3.9
225.05612	1.6
252.49687	0.8
330.72430	0.8
357.06213	3.5
513.22388	0.8
729.89325	0.8
741.14886	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1895
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
59.01363	0.4
86.82916	0.4
96.71473	0.5
118.35770	0.4
119.82639	0.4
131.32832	0.4
131.33878	0.4
136.01628	0.5
151.00328	3.3
151.04007	5.1
151.87442	0.4
178.99849	2.6
191.05588	0.7
243.02881	0.9
255.03006	8.2
271.02493	16.0
272.03339	0.8
272.89294	0.5
299.02029	0.8
300.02774	100.0
301.03430	4.6
302.18329	0.4
302.50647	0.4
325.03183	0.4
357.13287	3.8
370.67340	0.4
519.18365	2.0
664.23456	0.5
741.18964	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57049	0.8
57.97334	0.9
60.42039	0.8
63.04734	1.0
72.99322	4.0
96.61507	0.9
127.58547	1.0
131.04593	1.9
135.04518	1.9
171.43027	1.0
173.68541	1.1
179.03535	4.9
197.04610	13.0
205.01207	5.7
219.02763	100.0
250.40527	1.0
343.10464	1.1
359.10056	4.0
381.07913	10.7
741.18671	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87660	0.6
53.10778	0.7
56.82340	0.6
57.01600	0.6
57.38609	0.7
57.47561	0.6
59.01377	1.7
59.12825	0.8
61.64079	0.8
66.60915	0.7
68.83799	0.7
69.03450	0.8
71.01371	1.5
77.65899	0.9
78.50084	0.9
84.60130	1.0
85.02953	5.3
87.00883	0.9
93.03477	9.0
101.02433	1.3
103.43864	0.9
111.04498	1.9
113.02449	100.0
119.05013	1.5
127.04015	1.0
134.03761	7.4
135.03038	0.9
135.04543	1.0
149.06047	3.6
155.03537	1.5
163.03993	1.3
173.04544	10.8
178.02803	3.2
190.02626	1.5
191.05630	87.4
191.19034	0.8
193.05046	21.9
205.05067	5.4
206.05711	1.1
219.06671	1.3
223.06128	1.0
232.03720	4.0
247.06174	10.2
261.07721	1.7
281.07928	1.0
291.08768	3.6
301.11084	1.0
367.10449	1.1
385.11334	4.7
470.96396	1.0
511.95474	0.9
538.48145	1.0
627.19128	5.8
741.22632	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83374	1.1
54.84668	1.0
59.01396	1.7
65.38468	1.1
66.58661	1.1
71.01375	2.8
74.90592	1.0
85.02941	2.4
93.03445	12.8
111.00877	2.8
111.04516	6.4
113.02446	50.5
119.05016	1.5
128.45987	1.2
128.47844	1.1
129.01726	1.1
134.03740	9.1
135.04521	2.5
137.02420	2.3
149.06091	2.8
155.03496	8.0
163.04018	2.7
173.04559	100.0
174.05048	1.3
178.02667	2.1
179.03548	6.6
191.05617	16.3
193.05023	20.9
228.41920	1.1
245.09151	1.2
247.09891	2.4
291.08841	2.5
353.08667	8.2
367.10373	7.7
367.52347	1.4
398.31857	1.3
465.14056	2.6
542.70081	1.4
627.19171	9.0
741.22614	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50690	1.0
59.01371	1.4
62.06860	1.0
85.02947	2.1
87.00845	1.1
93.03438	8.4
113.02442	94.5
116.78196	1.0
124.64057	1.1
134.03728	1.8
155.03429	1.0
173.04532	6.1
191.05632	100.0
193.05112	9.2
219.06464	1.3
254.22878	1.1
627.18915	5.9
741.22595	59.5
741.35901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99275	0.6
67.08816	0.6
67.12191	0.5
76.38019	0.6
85.02935	4.2
87.00858	1.0
93.03461	7.9
111.04496	1.5
113.02446	99.2
124.04043	4.8
134.03758	3.2
143.23146	0.6
149.06075	0.8
173.04527	7.7
175.03918	1.4
178.02849	1.0
191.05640	100.0
193.05054	15.0
210.07613	1.2
228.95627	0.7
291.08704	3.6
331.25333	0.7
367.10101	1.0
384.30347	0.8
390.04819	0.7
398.99295	0.8
475.94656	0.7
515.26581	0.7
515.71356	0.9
518.62415	0.8
627.19336	4.9
741.22595	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
71.01359	2.0
77.37320	1.7
79.10724	1.8
97.62972	1.6
101.02416	1.7
109.02934	6.1
112.27606	1.8
121.02911	1.7
123.04519	3.8
132.53696	1.6
136.77264	1.5
151.03926	2.1
153.01669	1.7
159.04436	2.7
160.05322	12.5
162.03163	2.2
163.07693	2.0
164.04781	16.7
172.05257	9.2
173.06117	11.8
175.00313	3.0
175.07576	1.8
179.07101	7.8
190.02740	36.3
204.04295	2.5
205.05070	100.0
207.06657	1.9
217.05072	29.5
219.06627	6.8
223.06133	21.5
231.06619	17.5
238.19330	1.7
296.10461	8.1
311.12906	2.2
340.09421	10.2
355.11874	22.3
367.10379	70.0
373.13068	21.5
483.99420	1.8
498.90674	1.9
723.23126	2.8
741.23834	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02549	1.6
59.01377	8.8
71.01373	4.8
73.02940	3.0
89.02457	4.1
101.02464	4.1
105.01958	8.2
113.02463	4.2
116.92867	25.0
117.92852	9.0
118.92694	4.2
119.03499	2.2
122.11212	2.2
125.84083	2.0
145.02930	2.2
149.02443	4.1
164.04814	34.6
179.07097	18.1
190.02733	17.0
191.03586	3.5
205.05081	62.6
206.05859	20.5
208.03781	11.0
221.08170	41.5
223.06126	74.8
237.07658	4.5
247.06113	2.4
250.04729	10.3
263.07187	2.7
265.07141	77.0
267.06628	30.6
281.08224	23.5
295.08417	33.5
296.10556	15.3
325.09470	51.1
340.09552	86.3
355.11960	51.5
367.10565	3.0
385.11444	100.0
535.18451	3.4
659.41528	2.2
741.23755	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86100	0.5
59.01390	1.3
66.63194	0.5
71.01366	0.6
72.99307	29.4
87.00858	1.0
96.81677	0.6
102.98598	2.5
123.04511	6.5
123.08179	0.6
131.01715	1.2
135.04520	8.9
179.03508	31.2
192.00023	0.5
197.04573	100.0
203.91757	0.7
205.01184	2.3
215.05521	0.6
217.39122	0.7
219.02779	25.8
283.04926	1.2
288.06931	0.7
359.09894	71.7
381.08505	4.4
398.30594	0.6
741.18878	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76488	0.4
56.76786	0.4
59.01375	0.7
71.01383	1.0
72.99304	27.0
87.00882	0.9
96.51477	0.5
101.02401	0.6
102.98620	3.3
113.02510	0.7
123.04519	5.6
123.70393	0.5
131.01709	2.6
135.04518	6.5
179.03505	30.4
181.46490	0.5
188.28325	0.4
197.04568	100.0
205.01160	1.2
219.02774	22.6
283.05191	1.5
289.14780	0.5
307.85321	0.5
330.08862	0.5
359.09885	68.9
380.15662	0.7
381.08554	5.5
381.15793	0.6
392.32736	0.5
401.53607	0.5
420.04608	0.5
741.18726	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24928	0.5
59.01387	0.6
59.67607	0.4
69.51994	0.5
72.99304	26.5
81.87018	0.4
102.98604	3.0
113.02380	0.5
113.06807	0.5
123.04507	5.3
131.01704	1.0
135.04517	7.2
135.36069	0.5
179.03510	34.6
197.04573	100.0
219.02820	15.6
283.04861	0.7
323.44675	0.6
359.09894	75.3
371.37994	0.6
381.08652	4.2
413.17908	0.7
509.18439	0.6
741.18988	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77929	0.4
60.19600	0.5
111.92840	0.6
119.05013	45.3
135.82837	0.5
163.04007	100.0
191.05620	0.8
193.05032	1.0
281.86368	0.6
325.09317	20.5
660.16211	0.7
677.99292	0.6
680.89661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
66.72276	0.5
72.99319	3.4
75.00870	4.9
76.94352	0.4
80.71379	0.5
81.44410	0.5
87.00871	0.6
94.06760	0.5
98.47036	0.5
99.43084	0.5
100.10006	0.7
105.01936	100.0
121.02946	1.1
140.46962	0.6
150.03250	0.8
160.01671	2.3
165.05563	5.1
175.04008	9.6
193.05077	3.3
195.06671	0.8
223.06194	0.6
282.08881	0.7
353.34946	0.6
439.16165	7.6
460.17215	0.6
635.23633	18.0
647.24164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2623
Annotation	Eleutheroside E
Peak:m/z	Relative Intensity
59.01366	3.0
64.21304	0.7
65.41613	0.7
71.01376	1.1
72.99306	68.4
89.02420	0.8
95.61890	0.7
96.95976	0.9
101.02433	1.8
109.02943	0.8
111.82365	0.8
123.04522	18.0
128.52777	0.9
135.04523	28.1
151.03967	3.3
163.46919	0.8
165.00775	0.7
179.03514	69.0
183.39243	0.7
183.89967	0.7
191.05629	0.8
193.32634	0.9
194.69508	0.8
197.04572	66.0
223.05904	0.9
226.14894	0.9
342.99170	0.8
399.16589	0.9
512.97748	0.9
541.28076	0.8
741.26221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.8
62.84227	2.0
71.01381	39.9
73.02950	8.5
80.40705	2.1
83.01379	3.1
85.02949	15.9
87.00831	2.4
89.02431	27.3
95.01363	2.4
99.00874	2.8
101.02444	37.1
113.02431	14.2
119.03501	11.0
125.02426	2.5
130.40700	2.4
131.03523	2.4
161.04587	12.0
179.05725	16.3
179.63857	2.3
197.64398	2.3
217.08693	15.0
293.14020	3.8
379.13705	5.5
493.79062	2.6
514.82654	2.7
519.18829	4.5
651.32202	2.5
681.24109	100.0
705.43842	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
59.94315	0.3
64.87224	0.2
71.01369	1.9
76.38345	0.3
85.02931	0.5
89.02431	1.7
101.02438	1.9
113.02415	0.8
113.03596	0.3
123.04510	18.2
131.04588	0.7
135.04538	0.4
135.47168	0.3
143.32408	0.4
153.05566	100.0
161.04466	0.6
162.82458	0.3
203.13556	0.3
263.11417	0.5
265.11996	0.4
315.10880	37.6
425.16739	6.4
427.17346	0.7
500.42389	0.3
593.37555	0.3
728.19464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
67.15598	0.3
71.01377	3.6
71.24577	0.4
73.02946	0.6
85.02948	1.5
89.02440	2.4
101.02428	4.7
113.02446	2.4
119.03490	0.7
129.12070	0.3
148.01675	3.2
150.74371	0.4
161.04582	1.3
162.03241	0.8
173.02431	8.0
174.03197	2.7
189.09209	1.6
190.10214	0.5
194.02193	1.8
216.07910	4.1
216.33719	0.4
217.08716	100.0
228.06007	0.4
241.08752	1.7
259.09802	1.8
263.11377	4.3
365.41849	0.4
379.14032	58.1
685.18298	0.4
741.33521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
71.01375	2.1
73.02927	1.2
85.02924	1.3
89.02434	1.6
92.22504	1.3
92.29255	0.9
101.10142	0.9
108.45740	1.0
113.02432	1.7
118.32028	1.3
147.04448	0.9
149.02425	4.4
152.01131	1.1
160.53839	0.9
163.04066	1.1
164.04791	15.7
165.01979	0.9
175.00327	2.1
179.07114	1.4
190.02739	35.6
191.03508	5.7
191.05385	1.0
205.05083	74.8
206.05203	1.3
208.03796	1.3
209.04544	3.9
223.06146	16.5
248.78984	0.9
267.19214	1.0
271.15555	3.4
369.08374	3.4
469.17883	1.3
563.24994	1.7
565.26483	4.0
570.74969	1.1
652.25122	1.0
741.33588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
61.98825	8.5
71.01379	5.2
87.00847	1.5
89.02451	6.0
94.22595	1.4
96.96010	4.7
101.02444	2.6
113.02437	2.1
133.63220	1.3
140.28690	1.2
148.72401	1.2
149.02460	6.4
152.15561	1.1
159.03067	1.3
164.04805	22.1
165.05569	1.6
175.00261	1.5
179.03467	2.5
179.07118	8.0
190.02708	29.3
191.03503	8.0
195.82539	1.3
197.04582	1.8
205.05064	77.6
206.05856	2.4
208.03813	2.1
221.08224	5.7
223.06093	31.3
265.07248	11.5
321.24799	1.3
334.95599	1.4
446.99979	1.5
470.59427	1.4
470.70874	1.4
565.26099	2.4
741.34241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.0
61.35714	1.2
71.01377	2.0
72.99345	1.1
74.99080	2.2
84.51837	1.1
89.02434	3.2
101.02426	2.4
139.82745	1.2
148.01659	1.4
161.04749	1.8
173.02454	2.5
174.03242	1.7
207.63744	1.3
217.08699	67.3
245.08113	2.5
258.09067	2.0
263.11499	2.7
283.17130	1.9
284.10687	1.7
285.11307	3.3
286.12039	2.6
318.45328	1.4
320.56979	1.6
340.16739	2.3
341.13892	17.9
341.21194	7.9
343.19156	12.6
355.19308	2.2
357.20554	3.1
379.14020	38.6
383.18655	64.5
384.19421	100.0
385.20242	23.7
399.21655	2.1
415.21420	10.8
416.22156	15.1
417.22647	11.3
547.25342	1.7
578.27795	4.9
579.28217	74.3
741.33661	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
61.98825	8.5
71.01379	5.2
87.00847	1.5
89.02451	6.0
94.22595	1.4
96.96010	4.7
101.02444	2.6
113.02437	2.1
133.63220	1.3
140.28690	1.2
148.72401	1.2
149.02460	6.4
152.15561	1.1
159.03067	1.3
164.04805	22.1
165.05569	1.6
175.00261	1.5
179.03467	2.5
179.07118	8.0
190.02708	29.3
191.03503	8.0
195.82539	1.3
197.04582	1.8
205.05064	77.6
206.05856	2.4
208.03813	2.1
221.08224	5.7
223.06093	31.3
265.07248	11.5
321.24799	1.3
334.95599	1.4
446.99979	1.5
470.59427	1.4
470.70874	1.4
565.26099	2.4
741.34241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
66.40255	1.1
80.33002	1.1
83.18931	1.2
121.26077	1.2
167.22063	1.1
185.10527	1.3
250.75539	1.3
267.06631	5.6
282.06149	1.4
310.10889	32.6
325.13226	96.4
326.14099	2.3
340.15549	100.0
390.36118	1.3
400.17758	5.1
515.66876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26290	0.6
60.23010	0.5
63.59008	0.6
66.95191	0.5
70.70336	0.5
78.95898	24.6
86.22470	0.8
96.96950	5.9
97.06564	2.6
98.43233	0.7
108.15054	0.6
116.94992	0.6
123.08125	0.7
125.09703	54.6
151.98114	0.6
152.99576	12.8
169.08698	1.5
187.09756	54.4
209.30371	0.7
223.00089	3.9
241.01173	31.8
255.20807	0.8
255.23277	21.5
259.02225	1.6
297.03976	0.7
304.97659	0.7
315.04758	1.3
325.31985	0.7
401.36728	0.7
406.42432	0.7
485.13614	0.8
553.27197	0.8
741.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71838	1.2
60.62392	0.9
61.98823	1.7
62.33962	1.0
63.99243	1.1
73.52071	1.0
78.26123	0.9
78.95463	1.7
78.95898	31.6
89.16772	0.9
94.27312	1.0
96.96959	7.8
97.06554	2.3
123.08124	1.4
125.09715	72.7
137.00021	1.3
143.10710	1.5
146.12457	1.1
152.80760	1.1
152.99590	20.0
169.08723	1.9
187.09764	73.5
196.39497	1.1
210.83234	1.1
223.00204	4.4
241.01196	33.2
255.20827	1.7
255.23302	31.0
259.02191	2.2
295.19220	1.4
538.68652	1.2
709.20776	1.5
741.38275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
71.01380	1.1
78.95895	27.4
87.00872	11.1
87.18017	0.9
88.83896	0.8
89.02409	3.9
96.96947	6.9
97.06574	3.4
101.02448	1.6
123.08094	1.4
125.09707	60.3
125.10630	1.9
141.12276	0.8
152.99585	19.4
187.09749	63.2
187.11443	2.2
187.45480	0.9
189.20242	0.9
223.00121	4.0
241.01173	28.4
243.83096	0.9
255.23332	27.0
259.02243	1.3
281.24738	4.3
282.25180	5.2
283.25424	1.6
323.08807	1.4
350.71420	1.0
397.13513	4.1
398.13818	5.3
399.13959	3.8
423.17313	1.0
452.39545	1.3
506.47443	1.2
681.39630	5.9
720.43182	1.0
741.38342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.3
59.01386	31.9
61.98845	1.2
66.20215	0.8
67.72580	0.8
71.01377	17.8
73.02939	4.1
75.87926	1.0
83.01399	1.8
85.02938	3.8
87.00871	4.3
89.02438	26.3
97.02953	4.0
99.00865	1.9
101.02441	20.4
113.02438	10.6
119.03498	7.6
125.02453	7.9
143.03516	1.0
152.99591	1.5
161.04553	2.0
179.05638	1.5
225.11250	1.1
235.08194	6.6
251.98293	0.8
253.09166	1.0
263.20200	10.3
283.26465	100.0
295.22681	1.5
305.08780	1.1
397.13565	75.3
415.14609	17.6
681.29187	1.8
681.40814	49.5
741.44177	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37909	1.4
57.58606	1.3
59.01384	31.4
61.98843	2.0
69.03423	2.5
71.01384	21.1
73.02959	2.4
78.95905	6.0
85.02954	2.1
87.00871	2.7
87.93127	1.3
89.02434	26.8
91.91458	1.6
97.02956	6.1
101.02446	25.2
103.67297	1.5
105.71263	1.8
105.72000	1.5
113.02445	10.6
116.92860	8.6
119.03481	8.6
125.02449	3.7
126.14956	1.4
143.03503	3.0
152.99596	8.2
161.04602	3.0
235.08292	3.2
249.18570	2.2
253.09154	2.0
277.21716	2.6
279.23389	2.4
283.26459	100.0
397.13580	88.3
415.14615	19.6
420.60632	1.9
653.49762	1.6
681.40771	46.1
741.42523	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50949	0.7
59.01389	8.7
68.46357	0.7
73.21587	0.7
75.96766	0.7
79.64633	0.7
96.11449	0.8
104.60821	0.8
164.96194	0.7
169.38686	0.8
267.06570	3.2
310.10861	17.9
311.11554	1.7
325.13248	77.3
326.13824	9.4
340.15573	100.0
341.15866	1.0
400.17731	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.98832	100.0
70.06455	0.6
71.01366	1.3
76.36105	0.7
78.95902	5.6
89.02435	1.0
97.02954	0.8
101.02459	1.3
102.02753	0.9
109.84130	0.7
113.02406	0.8
146.48959	0.8
152.99591	8.3
277.21793	1.4
281.24902	4.6
282.25247	5.1
283.25598	3.0
284.25745	1.3
398.13861	1.2
399.14120	4.9
400.14392	1.1
682.40259	5.4
742.44275	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32386	0.5
59.01376	1.0
61.98833	100.0
63.69737	0.5
64.77858	0.5
71.01382	1.0
72.74157	0.5
73.61733	0.6
73.72290	0.5
78.95903	1.4
87.00864	0.7
88.00401	0.9
89.02442	1.1
101.02464	1.2
117.93324	0.6
152.99582	0.8
187.09781	0.8
258.67087	0.6
268.66528	0.6
281.24869	2.7
282.25278	3.4
283.25647	0.9
328.31128	0.7
398.13861	0.9
399.14307	2.2
509.52777	0.7
682.40051	1.5
742.39050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
71.01375	5.0
73.02937	3.6
78.18473	0.8
81.03421	0.7
85.02940	1.8
87.00867	1.2
89.02435	4.9
101.02423	5.1
103.04010	1.1
109.02951	3.1
113.02409	1.4
115.03976	3.6
116.92857	5.5
121.02949	1.9
123.00920	1.0
123.04494	1.3
124.01595	1.2
125.02454	10.5
129.23335	0.8
131.03467	7.2
134.03796	1.1
137.02461	6.7
138.03226	5.4
143.03482	4.5
145.05086	1.5
149.02444	40.6
151.03963	1.2
161.02510	1.0
163.03952	1.1
163.06059	1.2
164.01134	7.0
165.01935	4.6
165.04089	0.9
166.01375	1.6
166.02715	33.4
167.03477	6.5
170.08693	0.7
173.04482	1.5
175.04042	8.3
176.01122	2.9
177.01814	1.9
189.63774	0.7
191.03485	7.3
191.05577	4.7
192.00653	18.2
193.01355	1.0
193.05066	7.0
196.71089	0.8
197.06187	1.1
199.04022	9.4
201.01927	1.6
203.03577	1.2
205.07185	3.6
213.05537	0.9
215.03448	1.1
217.05014	12.1
221.04547	3.5
241.02852	1.5
241.05103	30.4
243.03009	6.9
257.04636	1.7
285.04056	64.7
312.94788	0.8
607.18799	14.3
625.13037	0.9
633.16785	4.9
743.20520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08057	0.4
66.28614	0.4
71.01363	0.5
78.79061	0.4
83.67314	0.5
93.03449	1.6
111.04533	1.6
111.61880	0.4
113.02444	11.0
116.94200	0.5
117.03448	2.8
134.03738	38.7
137.02451	2.3
149.06100	9.0
155.03551	3.7
163.03935	0.8
173.04568	5.7
191.05634	15.9
193.05069	100.0
247.09906	0.6
311.16727	0.5
367.10370	55.6
375.09402	0.7
385.66412	0.5
417.14090	1.9
657.39771	0.5
743.24109	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36421	0.2
59.01373	1.1
60.99298	0.2
67.01889	1.1
71.01374	2.2
72.99303	5.5
78.90335	0.3
81.03458	0.5
83.05016	5.9
87.00867	0.3
87.03345	0.2
89.78661	0.2
89.99910	0.3
93.03449	11.1
93.78963	0.2
99.12760	0.2
101.56864	0.2
109.02926	0.3
111.00859	0.3
111.04513	10.8
115.03994	3.1
117.03431	0.5
119.05010	0.4
119.22969	0.3
127.04003	21.4
129.05573	2.2
134.03732	10.7
137.02440	6.1
149.06055	2.3
155.03502	22.9
163.04053	0.5
171.03009	1.2
173.04549	100.0
189.04042	1.2
191.05620	10.2
193.05067	16.9
199.02492	9.0
203.05873	0.4
217.03542	37.0
235.08540	0.5
267.07489	1.0
329.56287	0.3
345.14566	0.4
357.14673	1.0
367.10367	47.4
375.15710	1.8
486.13818	0.3
725.23126	0.4
743.23932	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.9
61.15144	0.7
68.06577	0.7
74.10049	0.8
81.03443	3.2
83.05016	1.9
84.78879	0.9
89.02478	0.9
93.03458	1.3
109.02989	1.3
111.04508	42.9
113.02478	1.0
119.00981	0.9
119.05005	0.9
122.04583	0.9
127.04002	100.0
137.02467	6.8
155.03502	75.5
163.03943	7.4
199.02498	70.5
217.03532	5.5
259.29550	1.0
363.07254	29.3
743.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36421	0.2
59.01373	1.1
60.99298	0.2
67.01889	1.1
71.01374	2.2
72.99303	5.5
78.90335	0.3
81.03458	0.5
83.05016	5.9
87.00867	0.3
87.03345	0.2
89.78661	0.2
89.99910	0.3
93.03449	11.1
93.78963	0.2
99.12760	0.2
101.56864	0.2
109.02926	0.3
111.00859	0.3
111.04513	10.8
115.03994	3.1
117.03431	0.5
119.05010	0.4
119.22969	0.3
127.04003	21.4
129.05573	2.2
134.03732	10.7
137.02440	6.1
149.06055	2.3
155.03502	22.9
163.04053	0.5
171.03009	1.2
173.04549	100.0
189.04042	1.2
191.05620	10.2
193.05067	16.9
199.02492	9.0
203.05873	0.4
217.03542	37.0
235.08540	0.5
267.07489	1.0
329.56287	0.3
345.14566	0.4
357.14673	1.0
367.10367	47.4
375.15710	1.8
486.13818	0.3
725.23126	0.4
743.23932	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.9
61.15144	0.7
68.06577	0.7
74.10049	0.8
81.03443	3.2
83.05016	1.9
84.78879	0.9
89.02478	0.9
93.03458	1.3
109.02989	1.3
111.04508	42.9
113.02478	1.0
119.00981	0.9
119.05005	0.9
122.04583	0.9
127.04002	100.0
137.02467	6.8
155.03502	75.5
163.03943	7.4
199.02498	70.5
217.03532	5.5
259.29550	1.0
363.07254	29.3
743.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97678	1.4
59.01109	1.8
59.01386	38.9
63.03388	1.1
71.01389	25.0
73.77000	1.4
85.02940	3.4
89.02450	27.6
95.01362	1.7
101.02455	14.1
111.04575	1.9
113.02417	10.3
119.03494	11.4
121.02980	2.0
121.59047	1.7
122.03693	1.7
122.35486	1.8
123.04478	1.7
127.03976	3.5
134.03757	3.8
135.04576	2.1
143.03467	2.7
149.02443	10.1
150.03220	26.7
151.03993	1.8
155.03459	1.8
160.68867	1.4
161.04533	1.8
162.03259	6.3
164.04810	21.9
165.05583	38.4
170.99977	1.6
175.03984	8.4
176.04782	2.1
177.05544	6.9
178.02637	1.9
179.03531	2.6
179.05608	9.0
179.07129	10.1
180.04271	2.7
190.02730	33.0
191.03557	3.0
191.07155	2.5
193.05051	10.4
195.06662	11.3
205.03276	3.1
205.05080	54.3
206.05894	2.4
208.03795	2.4
209.04591	1.6
221.08206	8.9
222.05550	2.1
223.06134	25.7
225.07724	1.9
265.07159	16.7
295.08035	2.2
309.07800	1.7
321.07703	2.8
324.15448	1.7
325.09354	3.1
327.12302	2.6
337.07187	19.8
352.09497	6.5
367.11948	24.5
375.14374	2.0
380.79669	1.7
385.11404	2.4
515.17017	8.7
563.19586	3.5
667.26971	2.9
699.23169	12.7
725.24579	7.6
743.25659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27689	0.3
55.39569	0.3
57.18493	0.3
58.29784	0.3
59.01379	2.3
71.01379	2.8
73.02914	0.5
76.58376	0.4
85.02943	2.5
87.00848	0.5
89.02436	1.8
89.80446	0.4
91.49392	0.3
96.95998	0.5
99.00883	0.6
101.02425	3.2
105.34143	0.4
113.02436	2.0
121.02943	0.5
122.03762	0.7
123.04503	0.9
124.35172	0.4
124.91176	0.3
135.04530	0.7
136.01643	0.8
146.03709	2.7
147.00880	0.9
147.04546	0.6
149.02438	5.6
150.94086	0.4
151.03992	2.1
152.01144	1.4
159.02885	0.5
161.06024	0.9
163.04010	2.0
164.04787	24.1
165.01932	0.5
165.05531	0.8
169.05077	0.4
175.00322	5.1
175.03867	0.4
176.01170	0.5
176.04771	5.3
177.01945	0.7
179.07137	8.3
180.04295	1.3
190.02734	46.4
191.03519	5.3
191.05457	0.8
191.07153	17.9
195.06654	1.9
203.07129	0.6
205.05069	100.0
207.03070	0.9
207.06625	0.7
208.03778	3.2
209.04568	3.8
223.06125	25.9
245.91202	0.4
251.05643	1.7
297.11548	0.5
319.51843	0.4
327.12326	0.8
345.13776	0.5
352.07880	0.5
367.10376	7.1
369.08255	1.6
493.20682	0.6
516.91003	0.4
552.25873	0.5
553.25873	0.5
563.17664	4.7
567.28192	4.8
713.30341	0.7
725.24890	0.6
728.32263	0.4
743.25049	14.2
743.35254	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45079	0.9
58.37257	0.7
59.01377	3.9
71.01359	4.1
72.64016	0.9
85.02947	1.5
92.22472	0.9
101.02419	1.5
107.04994	1.8
116.73098	0.9
123.04477	3.4
127.18797	0.9
131.98709	0.8
134.03645	1.2
135.04474	1.2
146.03714	9.9
149.02440	5.9
150.03229	1.1
161.06071	5.9
164.04811	22.9
165.05542	7.0
175.00383	2.1
175.03943	4.2
176.04771	4.1
179.05579	1.4
179.07121	28.1
180.04228	6.7
190.02728	43.2
191.03571	3.6
191.07150	14.6
192.04428	1.1
193.05103	3.7
194.02155	5.2
195.06636	8.0
195.78619	0.8
205.05072	76.4
206.05917	3.5
207.06703	1.6
208.03784	1.7
209.04514	3.6
221.04510	1.0
221.08075	3.6
223.06134	19.3
265.07227	6.5
337.09259	1.9
352.08148	1.2
353.08829	4.0
367.10419	12.9
375.83029	1.1
385.11285	1.7
533.16425	2.0
743.25604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.0
62.46422	0.9
66.04106	0.8
66.49174	0.8
68.99813	8.1
71.01353	4.0
87.38783	1.0
89.02444	8.5
95.01348	1.0
96.95945	1.7
101.02422	3.8
108.02110	8.0
109.02935	1.1
113.02390	2.2
119.03436	2.0
123.00853	5.9
123.04523	17.1
150.03166	5.4
153.05603	1.4
161.02414	9.2
162.03200	4.8
163.04059	10.3
177.05565	36.4
178.02704	22.3
179.03441	1.4
191.05582	1.3
193.03365	1.7
193.05083	47.8
194.05743	1.3
205.05089	2.4
232.95421	1.0
339.12457	4.0
443.15430	1.5
743.25647	100.0
773.55334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38706	1.0
58.11444	0.9
59.01384	1.2
61.98839	1.8
62.32697	0.9
67.77699	0.8
71.01345	1.2
80.56072	0.9
83.44264	1.0
85.02947	1.7
101.02386	1.7
105.01923	9.4
113.02326	1.0
121.02955	1.1
122.03715	4.1
123.04493	2.2
136.01643	1.6
138.03728	0.9
145.03004	1.3
146.03767	11.4
147.04503	1.3
149.02396	4.9
150.03192	1.4
151.03947	4.1
158.84438	1.0
161.06061	6.5
162.03302	1.9
163.03912	1.4
164.04796	22.5
165.05501	2.4
175.00389	2.0
175.03961	4.4
176.04785	19.2
179.07135	17.3
180.04240	1.4
190.02753	33.8
190.06360	5.4
190.16351	1.1
191.03552	2.2
191.07152	61.8
192.00673	7.6
192.04271	1.4
193.05080	1.8
195.06593	6.4
203.03410	1.2
203.07129	4.8
205.05074	100.0
206.05894	1.2
207.02988	6.9
207.06668	2.2
208.03745	2.1
209.04399	1.2
209.08188	3.8
221.08177	1.9
223.06155	25.7
224.40750	1.1
239.09192	1.4
300.09811	1.3
327.12369	5.1
345.13474	1.7
352.08243	1.1
367.10400	32.8
375.14551	1.1
420.04395	1.1
433.18750	1.2
465.71552	1.1
527.41089	1.1
563.17578	17.4
637.25098	1.2
695.23407	4.1
713.24231	4.3
725.24609	2.0
743.25360	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98813	6.4
71.01369	71.0
80.07999	4.4
85.02955	9.3
88.47753	4.9
89.02448	84.6
94.18004	4.1
95.01402	5.3
101.02425	23.1
113.02451	37.8
113.03119	4.3
119.03520	11.2
135.03023	6.2
149.02443	6.7
150.03230	68.9
161.04640	6.3
164.04758	10.0
165.05565	80.1
172.68021	4.6
179.05602	29.7
190.02658	5.3
193.05064	6.5
195.06653	17.6
205.04939	5.5
236.99307	4.8
319.16513	5.6
427.14221	7.7
487.17133	6.0
533.18262	5.9
547.18134	24.6
575.19397	5.5
581.20367	7.1
695.23578	47.8
743.25073	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84198	5.2
54.26242	5.8
59.01378	76.2
71.01375	55.6
74.59301	5.0
81.17775	6.3
89.02441	81.1
101.02443	29.4
113.02446	24.9
119.03487	39.8
123.04494	7.3
133.22740	6.1
134.05096	6.8
138.28052	5.9
143.03407	6.8
149.02422	12.4
150.03210	66.9
151.59024	6.4
161.04536	9.1
164.04810	29.3
165.05605	83.7
177.05580	14.1
177.14340	6.7
178.02701	9.2
179.05600	39.6
190.02788	31.2
191.03348	7.6
193.04979	7.5
195.06639	23.4
205.05037	13.9
223.06035	7.3
241.67842	6.2
278.18558	6.9
385.12762	7.3
427.13663	7.4
522.14160	7.7
547.18152	32.6
695.23553	24.5
713.24261	10.3
731.08215	7.5
743.25262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01367	0.6
85.02972	1.6
86.99481	0.4
89.02447	0.8
101.02433	1.4
103.00365	41.5
103.04006	6.3
113.02451	0.7
115.03993	0.9
121.60143	0.4
133.05064	57.0
160.05428	0.5
164.04785	0.5
175.06140	13.3
175.07671	3.3
178.06369	2.2
178.84340	0.4
192.08008	0.5
193.08650	0.4
219.05093	6.2
221.56773	0.4
329.13965	24.1
359.15115	3.7
363.12845	0.6
367.21219	0.5
509.61801	0.5
521.20276	9.4
763.95459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
67.01871	0.8
68.00301	0.6
71.01374	2.2
72.99297	3.5
73.79782	0.5
77.56858	0.5
79.61189	0.5
82.28773	0.5
83.05030	5.1
85.02959	0.8
85.43284	0.6
85.54694	0.6
88.40282	0.5
92.23128	0.7
92.86177	0.6
93.03448	9.7
94.96086	0.6
100.96926	0.5
109.02908	0.9
111.04518	7.6
113.02376	0.7
115.03993	2.9
127.03995	13.1
129.05588	0.9
134.03752	10.7
137.02452	5.8
146.09558	0.5
149.06104	2.0
155.03503	19.5
163.04013	0.9
173.04553	100.0
187.16093	0.7
191.05635	34.6
191.07405	1.1
193.05070	16.6
199.02521	6.9
217.03539	24.3
223.73112	0.7
235.08420	0.9
260.32819	0.6
367.10379	54.1
375.15903	2.5
540.72687	0.7
540.81097	0.6
743.23621	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68627	1.3
54.26025	1.1
59.01376	10.7
71.01383	7.0
73.02950	1.5
73.42713	1.2
85.02950	2.4
89.02425	1.3
101.02464	10.0
113.02452	3.2
115.00342	1.7
133.01450	10.6
136.09227	1.4
178.79446	1.4
185.54245	1.4
219.00099	1.5
237.55661	1.4
279.15140	1.4
281.08234	2.2
282.08960	2.7
296.10941	1.8
307.59103	1.5
314.11612	2.1
315.12503	2.3
326.11621	9.4
327.12277	6.6
327.15811	1.6
329.13980	26.3
341.13947	16.5
355.11978	5.9
472.99384	1.5
476.16913	24.3
488.16940	13.8
491.12018	2.5
491.19299	87.0
503.19400	37.7
521.20343	100.0
602.17896	1.5
683.26141	1.7
693.62958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31155	0.7
55.29897	0.6
57.36788	0.6
59.01377	0.7
62.11481	0.6
80.78854	0.7
89.90836	0.7
128.53807	0.8
131.48354	0.8
131.95868	0.7
160.05301	4.2
164.04869	0.9
175.07655	11.6
177.05562	1.3
178.06369	8.1
192.07886	6.2
193.08749	1.7
203.89340	0.8
329.13965	100.0
359.15024	15.5
521.20380	41.9
521.28235	1.5
694.27350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12759	2.2
59.01383	29.5
71.01373	24.8
80.58096	3.4
89.02430	33.7
92.76278	2.7
101.02445	16.1
113.02422	14.3
119.03498	11.3
137.88626	2.5
179.05597	3.8
190.06242	3.4
205.08676	3.5
276.77762	2.5
296.10330	3.9
311.12933	4.5
329.13953	5.6
341.13995	5.5
359.15076	4.2
521.20441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85762	0.4
59.01386	2.3
71.01373	0.8
72.00896	0.6
73.02945	0.9
74.02471	0.9
81.99532	0.4
85.02911	1.0
101.02431	10.7
108.05643	0.4
109.52569	0.5
116.05033	5.1
127.97212	0.4
142.08604	0.5
158.06133	0.5
159.09317	5.8
183.09314	1.1
186.05641	0.7
188.06891	0.6
191.05670	7.8
203.08286	100.0
245.09268	1.1
268.44769	0.5
275.10403	20.4
305.11526	1.0
317.11389	1.0
346.49954	0.7
364.10461	0.6
365.13583	13.4
437.48398	0.5
441.16125	1.0
517.40112	0.5
743.23431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58316	0.6
59.01387	3.5
67.04744	0.7
69.56011	0.7
71.01390	5.2
71.60741	0.7
72.99309	5.5
81.33095	0.9
101.02451	3.9
113.02413	1.2
122.03801	0.9
135.04536	4.1
146.03815	3.8
147.00960	1.0
149.02432	7.5
152.01196	1.7
161.06044	0.9
164.04782	25.5
164.06049	1.3
165.01897	1.3
175.00243	5.9
176.04883	1.1
179.03583	5.1
179.07114	10.7
190.02737	44.0
191.03558	6.4
191.07242	5.5
195.06696	1.5
197.04660	5.5
205.05069	98.0
208.03880	3.3
209.04663	4.2
217.69472	0.8
223.06131	28.9
223.08253	1.0
251.05501	1.1
323.02386	0.9
325.24182	0.9
365.96918	0.9
367.10721	4.7
369.08383	1.5
371.11362	0.9
425.45261	1.0
563.17615	6.5
566.27924	1.0
567.28650	4.5
595.28357	1.2
743.35840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39853	0.8
53.30910	0.8
55.01883	1.3
59.01381	100.0
71.01376	16.0
72.86887	0.8
72.99274	1.0
73.02946	6.2
73.88029	0.8
83.01387	2.1
85.02952	9.3
86.00114	1.0
89.02447	4.8
94.69339	1.0
96.96012	3.8
99.00863	2.0
101.02445	13.8
105.01936	1.6
108.01501	1.0
113.02458	11.6
119.03529	1.0
149.02361	1.8
150.03209	6.9
159.02975	1.6
161.04552	5.7
164.04800	6.2
165.05574	7.8
165.24493	0.9
175.03951	1.4
177.05540	1.5
178.02657	1.1
179.05589	1.6
179.07140	1.5
189.84868	1.0
190.02766	5.5
191.07085	1.3
193.05066	2.3
195.06680	1.4
205.05096	9.9
206.05804	1.3
208.03773	1.0
221.08250	1.3
223.06104	5.3
234.28418	1.1
265.07187	4.5
276.88748	0.9
333.24365	4.5
367.11313	1.9
375.14401	1.6
466.03012	1.0
495.29700	10.2
639.33954	17.1
699.36072	87.9
725.24695	1.7
743.25586	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61244	1.6
52.70942	1.6
53.49719	1.4
72.99306	2.4
75.00871	79.2
78.95907	10.2
87.72419	1.8
88.98788	10.7
89.02460	2.0
109.42735	2.2
119.86102	1.7
149.50613	2.1
152.99559	9.2
163.90221	1.7
171.10260	18.0
178.13197	2.3
178.73045	1.7
185.11852	4.2
189.09103	2.0
201.11351	3.9
207.39163	1.8
277.21646	13.7
341.61526	1.8
503.50610	2.1
609.41870	2.2
743.42480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94214	0.5
59.01378	1.4
59.74879	0.6
60.54516	0.5
63.50587	0.5
71.01389	0.8
92.89072	0.6
97.29891	0.7
99.00868	10.0
101.02428	0.6
114.89421	0.6
163.11241	0.7
165.05544	0.8
178.05096	1.3
180.35468	0.7
181.12369	6.9
187.68552	0.7
191.05534	0.7
197.12006	0.7
199.13428	7.0
207.10303	10.3
214.14537	3.2
225.11316	48.1
243.12376	100.0
462.73898	0.8
743.25702	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36201	1.1
72.64164	1.4
73.24599	1.2
78.95900	20.0
85.70821	1.4
94.04352	1.3
96.96927	2.9
112.63902	1.3
113.59603	1.3
134.49429	1.3
152.99586	100.0
171.00606	2.6
433.23694	48.7
494.72681	1.6
553.25012	1.6
614.46643	1.8
738.91705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71727	2.1
55.43029	1.8
60.16516	2.1
60.70313	2.4
78.95915	38.6
79.54823	2.3
106.57065	2.5
116.29408	2.2
118.14148	2.2
133.79182	2.4
146.11589	2.4
152.99603	100.0
171.00620	2.5
187.09402	2.7
235.82715	2.7
433.23718	55.3
490.86688	2.8
598.25562	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	1.6
78.95907	31.9
91.29807	1.3
91.63099	1.3
92.22543	1.6
95.72221	1.4
96.96938	1.8
98.28817	1.7
107.75088	1.3
152.99590	100.0
171.00735	1.4
191.42375	1.3
208.01607	1.4
235.97433	1.5
311.16827	2.1
431.22083	62.6
476.43948	1.6
587.95532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14133	1.3
61.98820	1.7
69.56848	1.0
77.82117	1.0
78.95899	31.9
96.96951	1.9
125.09743	1.3
126.08482	1.1
152.99591	100.0
171.00632	2.0
227.80286	1.1
246.32956	1.0
279.23306	1.9
433.23611	49.8
433.29544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64762	1.3
58.80819	1.2
59.01382	100.0
59.95469	1.4
61.70146	1.0
61.86320	1.1
64.28067	1.1
67.14368	1.5
71.01379	32.2
73.02941	2.9
85.02946	9.0
86.79421	1.5
87.00858	1.5
89.02443	43.0
95.01407	2.1
101.02431	14.5
113.02450	19.2
119.03485	16.8
143.03477	5.2
161.04546	12.3
170.79837	1.7
177.74702	1.4
179.05620	33.8
210.51927	1.4
276.06738	1.6
290.08261	2.7
304.06140	5.6
304.09769	4.7
305.06912	1.7
318.07654	12.6
319.08530	2.4
320.09204	2.1
322.10852	1.8
331.17633	7.2
334.10910	3.1
349.18695	7.3
352.12024	2.7
354.14117	1.3
521.20520	2.1
522.20758	12.9
615.65723	1.6
684.30377	45.6
731.90363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76043	0.8
54.15512	0.7
59.01373	1.7
61.98833	100.0
71.01386	1.3
78.95914	1.8
89.02412	1.6
89.89683	0.8
95.07751	0.8
101.02448	0.9
101.24234	0.8
111.28506	0.8
152.99611	1.8
169.62097	1.0
239.44556	0.8
250.39726	0.8
283.26385	1.6
284.26831	5.2
286.26938	0.9
286.82935	0.9
398.13840	1.2
399.14090	1.5
684.41498	5.3
744.45294	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62845	0.7
63.43885	0.7
72.99329	0.9
99.69911	0.9
101.02419	0.8
111.84850	0.7
133.01462	1.1
135.04631	1.0
156.25159	0.8
176.50461	1.0
179.03528	3.2
197.04643	6.4
206.99368	60.0
208.00099	3.8
222.01717	100.0
223.02454	1.6
307.67007	0.9
335.84445	1.0
359.10013	5.5
370.05280	3.7
376.59866	0.8
385.07813	85.9
582.36243	0.9
736.16290	0.9
757.30609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10637	1.6
57.11416	1.6
59.01382	35.9
60.86668	1.7
63.47812	1.6
64.26565	1.8
69.55244	1.8
71.01382	3.2
73.02942	4.6
74.14587	1.6
85.02947	3.5
89.02424	2.0
96.96043	2.9
99.00878	28.1
101.02458	9.8
110.44524	1.9
113.02450	7.6
131.03551	2.2
155.60716	2.1
171.07841	2.2
241.28053	1.9
268.03906	6.8
283.06125	100.0
318.05453	3.1
377.06885	13.4
436.69574	2.1
497.27216	2.9
538.43518	2.2
552.16193	2.4
745.19592	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61775	0.1
59.01381	0.3
71.01389	0.2
79.39668	0.1
80.85004	0.1
85.02962	1.3
87.00868	0.2
93.03432	1.2
111.04531	0.3
113.87023	0.2
127.03978	0.3
134.03700	0.3
135.04526	0.3
149.06094	0.3
155.03542	0.3
161.02428	1.3
163.03955	0.2
173.04543	3.0
179.03462	0.7
191.05630	100.0
193.05081	1.8
247.09805	0.2
291.08612	0.3
330.84360	0.2
333.96753	0.2
353.08823	29.5
604.99072	0.2
745.25562	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.8
69.52175	1.4
71.01374	6.4
85.02982	2.0
89.02412	5.7
96.95992	6.5
98.88374	1.7
101.02447	5.6
113.02450	3.0
119.03497	2.1
119.04971	2.0
133.02953	8.8
134.03790	6.3
135.04521	60.4
137.02391	1.7
137.49596	1.5
145.56061	1.6
149.02414	2.5
150.03194	14.5
151.03998	2.0
161.02438	80.6
161.06073	6.5
163.04073	2.3
164.04794	9.7
165.05569	29.4
175.03975	2.1
176.01132	6.1
179.03500	54.6
180.04207	1.9
181.05022	2.6
190.02698	7.6
191.03519	17.3
191.05362	2.4
193.05078	7.5
194.27017	1.5
195.06628	12.0
205.05101	45.5
223.06166	3.4
274.78949	2.0
356.12891	1.8
387.14523	2.2
441.13916	24.4
531.18878	1.8
535.19928	3.1
539.17535	2.9
583.21973	16.6
647.19971	100.0
745.23492	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22623	0.7
58.42550	0.7
59.01367	5.3
59.07855	0.6
71.01369	1.5
72.99303	63.6
76.61169	0.8
84.72740	0.7
89.02412	1.2
109.02912	1.1
123.04509	28.2
134.03703	1.8
135.04524	38.8
135.85936	0.8
149.02431	0.9
149.06091	0.9
150.03195	6.3
151.03947	1.9
161.02455	21.4
165.05612	9.5
175.04007	6.0
179.03510	57.7
193.05028	1.9
195.06647	1.4
197.04567	41.5
197.06432	1.3
208.03853	0.8
211.06154	6.3
253.32687	0.8
323.07709	4.9
373.11371	0.9
486.16153	1.1
535.14514	6.6
697.24170	1.3
745.23663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56952	1.3
59.01369	2.8
63.28658	1.4
92.22479	2.0
96.95987	17.8
109.08503	1.7
124.79823	1.6
133.57063	1.7
137.02446	100.0
164.04776	2.4
197.98283	1.9
205.05083	3.1
223.06126	1.8
238.33669	1.8
245.58046	1.9
259.00223	1.9
368.28326	1.6
466.62366	1.7
469.17255	18.5
593.66681	1.8
745.24329	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.3
60.27968	5.0
71.01377	12.4
82.37099	7.3
92.22491	7.9
149.90358	6.4
177.42770	6.1
297.48257	6.6
331.23843	7.6
442.41635	7.2
479.27094	13.0
493.45178	7.6
497.27594	29.2
539.28302	52.4
745.24054	100.0
752.02753	6.7
761.21899	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2495
Annotation	CHEBI:69780
Peak:m/z	Relative Intensity
60.40767	2.1
61.15473	2.2
71.13967	2.1
75.85115	2.0
77.19506	2.3
88.80148	2.0
92.23192	2.7
98.74343	2.2
114.34170	2.5
137.02444	3.1
191.03375	3.9
205.05046	3.5
252.00342	2.7
469.17072	4.6
545.13617	3.2
695.25946	9.1
745.24762	100.0
745.37543	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41185	4.5
72.81987	3.7
73.41718	4.3
75.76980	3.8
87.39711	4.3
92.11312	5.2
92.22476	10.9
123.36943	4.7
130.94725	4.3
262.56049	4.5
294.94342	4.6
375.36765	4.6
463.81561	4.8
688.00128	5.4
745.24615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2552
Annotation	CHEBI:69780
Peak:m/z	Relative Intensity
59.01381	10.4
67.01901	0.8
71.01380	4.7
82.99711	0.8
85.02940	4.6
87.00861	0.9
89.02431	0.9
93.03455	12.4
101.02441	1.2
101.62070	0.8
102.24673	0.7
103.23096	0.7
111.04491	1.5
113.02455	1.8
119.05011	5.7
134.03764	5.3
149.06139	0.8
155.03473	1.2
161.04649	1.3
163.04004	11.1
173.04558	7.7
178.02682	3.0
179.03529	0.8
191.05624	100.0
193.05074	18.0
203.08255	1.2
232.07436	1.0
241.07272	1.2
247.09763	1.6
263.11417	1.1
285.82764	0.9
291.08749	1.7
297.11874	0.9
305.12442	4.3
339.27420	0.9
403.12140	1.0
496.45502	0.8
691.26111	0.8
745.25739	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.8
65.86707	0.9
67.01871	1.9
71.01369	5.4
73.42776	0.8
77.68866	0.7
85.02956	5.6
87.00887	1.7
89.02441	1.6
92.22446	1.0
93.03455	17.0
95.87457	0.7
101.02450	4.6
111.04505	4.6
113.02454	3.8
134.03708	7.1
137.02426	3.7
138.51233	0.8
149.06068	5.7
153.39468	1.0
155.03490	5.2
161.04512	1.0
173.04556	59.1
178.02696	4.9
191.05637	100.0
193.05031	22.7
194.17268	1.0
203.08247	4.0
232.07423	1.6
242.30269	0.9
247.09877	7.2
278.62601	0.9
279.10910	1.1
291.08694	4.5
305.12366	2.2
349.11316	1.2
367.10281	1.8
395.15540	3.4
448.66183	1.1
571.20483	3.6
745.25720	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82370	0.8
56.29026	0.7
59.01394	12.3
63.01358	0.8
67.01872	1.1
67.73579	0.7
70.20650	0.7
71.01385	9.4
82.71905	0.9
85.02952	6.5
87.00888	2.0
89.02437	6.4
93.03462	17.1
101.02426	5.6
111.04510	4.2
113.02449	3.7
115.04020	1.0
119.03443	1.1
127.03982	0.9
133.03030	0.8
134.03723	12.4
135.03043	1.6
135.04526	1.0
137.02409	1.6
149.06068	4.8
155.03462	4.5
163.04018	1.4
173.04556	55.0
178.02725	8.7
179.03529	1.8
191.05629	100.0
193.03343	1.7
193.05074	36.9
228.74681	0.9
232.07375	1.7
247.09772	10.9
291.08826	6.9
367.10330	1.9
373.72562	0.9
451.12625	1.3
503.55170	0.9
524.84851	1.0
571.20520	5.8
636.98352	1.0
745.25714	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38421	0.8
59.01373	3.6
62.92638	0.7
67.01839	0.7
71.01374	3.9
79.27451	0.8
85.02954	12.8
87.00852	1.1
93.03440	6.9
99.04499	3.7
101.02441	3.6
109.02902	0.9
111.04501	4.3
113.02393	1.2
126.74046	0.9
133.02995	1.3
134.03741	26.3
135.03015	7.8
137.02432	1.2
139.03818	1.0
149.06087	15.4
153.01932	1.3
155.03522	6.2
165.10518	1.0
173.04541	20.3
178.02745	16.2
179.03494	1.5
191.05635	62.0
193.05069	72.9
232.07521	7.4
247.09734	15.9
291.08765	9.4
297.06149	1.7
316.67642	1.0
571.20563	1.3
745.25763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.8
65.86707	0.9
67.01871	1.9
71.01369	5.4
73.42776	0.8
77.68866	0.7
85.02956	5.6
87.00887	1.7
89.02441	1.6
92.22446	1.0
93.03455	17.0
95.87457	0.7
101.02450	4.6
111.04505	4.6
113.02454	3.8
134.03708	7.1
137.02426	3.7
138.51233	0.8
149.06068	5.7
153.39468	1.0
155.03490	5.2
161.04512	1.0
173.04556	59.1
178.02696	4.9
191.05637	100.0
193.05031	22.7
194.17268	1.0
203.08247	4.0
232.07423	1.6
242.30269	0.9
247.09877	7.2
278.62601	0.9
279.10910	1.1
291.08694	4.5
305.12366	2.2
349.11316	1.2
367.10281	1.8
395.15540	3.4
448.66183	1.1
571.20483	3.6
745.25720	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39939	0.5
59.01140	0.7
59.01385	11.1
68.61008	0.6
71.01370	5.4
72.99303	49.6
78.11294	0.6
83.01376	0.6
89.02439	6.6
101.02430	3.2
102.83437	0.5
109.02937	0.6
113.02410	2.7
119.03483	0.9
123.04501	8.2
135.04521	15.3
135.11771	0.9
144.54875	0.6
151.04047	1.3
179.03511	56.8
179.10745	3.9
197.04570	81.7
201.82730	0.7
223.09641	0.6
279.12399	0.7
341.08679	0.8
416.00830	0.6
521.20270	1.1
565.19379	10.1
745.25659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82370	0.8
56.29026	0.7
59.01394	12.3
63.01358	0.8
67.01872	1.1
67.73579	0.7
70.20650	0.7
71.01385	9.4
82.71905	0.9
85.02952	6.5
87.00888	2.0
89.02437	6.4
93.03462	17.1
101.02426	5.6
111.04510	4.2
113.02449	3.7
115.04020	1.0
119.03443	1.1
127.03982	0.9
133.03030	0.8
134.03723	12.4
135.03043	1.6
135.04526	1.0
137.02409	1.6
149.06068	4.8
155.03462	4.5
163.04018	1.4
173.04556	55.0
178.02725	8.7
179.03529	1.8
191.05629	100.0
193.03343	1.7
193.05074	36.9
228.74681	0.9
232.07375	1.7
247.09772	10.9
291.08826	6.9
367.10330	1.9
373.72562	0.9
451.12625	1.3
503.55170	0.9
524.84851	1.0
571.20520	5.8
636.98352	1.0
745.25714	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.1
59.67421	0.5
61.82120	0.7
63.00822	0.5
71.01366	2.5
72.21285	0.6
73.02932	0.7
78.95905	0.6
83.26311	0.5
85.02936	1.0
87.00874	0.8
89.02444	1.1
92.22576	1.2
93.03449	0.6
94.00631	0.8
101.02390	1.0
105.62505	0.6
113.02393	0.9
133.02980	1.1
147.04605	0.7
149.02470	6.0
150.03214	9.7
151.04042	1.1
163.03999	0.8
164.04794	14.6
165.05556	10.9
173.13734	0.6
175.00325	2.6
176.01143	0.7
179.07182	1.4
180.04239	1.1
190.02728	36.3
191.03587	1.5
193.05022	0.7
195.06773	0.7
205.05080	54.8
208.03778	1.4
209.04477	1.2
223.06140	10.8
223.13461	5.0
225.14987	7.9
233.15401	1.0
237.18631	2.6
251.16577	5.0
263.20203	1.2
265.18149	12.6
267.12366	4.7
273.18689	4.0
283.06259	0.9
283.19177	31.5
291.19611	6.6
309.20755	4.3
327.21811	100.0
329.13907	1.1
482.87473	0.7
530.80536	0.8
539.21674	0.7
539.28998	0.7
549.19336	0.8
580.94849	0.7
697.25537	6.2
701.06390	0.7
701.38397	0.9
727.26251	7.1
745.27228	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50713	1.9
59.01383	100.0
70.08111	1.8
71.01376	48.0
73.02944	2.1
76.21249	1.9
85.02938	11.6
89.02441	66.4
95.01389	2.2
101.02456	33.2
113.02449	26.1
119.03481	24.3
131.03468	2.7
143.03481	1.8
149.02452	4.4
149.04675	2.5
150.03235	31.7
151.46660	2.0
161.04591	2.9
164.04764	9.6
165.05551	67.8
175.03906	1.9
179.05606	20.7
180.04306	1.9
183.00027	2.0
191.05563	9.5
195.06651	19.4
205.05078	4.9
235.93575	2.0
253.12833	2.2
311.09445	2.7
323.09152	12.3
338.11420	3.3
339.08774	39.2
354.11154	14.1
369.13580	26.1
517.18677	9.7
583.22131	4.4
701.33716	3.6
725.77899	2.3
745.27277	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93968	0.8
59.01377	4.3
65.96683	0.8
71.01379	4.2
72.99290	0.9
77.66534	1.0
89.02422	3.1
91.66527	0.8
101.02447	1.9
106.11131	0.9
110.69994	0.8
119.03510	1.9
120.99653	1.7
121.02950	1.2
122.03770	6.9
123.04526	1.1
133.03033	0.9
135.04521	5.9
136.01657	7.2
149.02431	11.8
150.03221	45.4
151.04018	31.1
164.04788	10.8
165.05566	98.7
166.02686	6.9
167.03468	0.9
172.05203	1.2
175.03960	4.0
177.05594	1.7
179.05661	1.1
180.04283	10.6
181.05080	23.1
189.05597	1.8
190.06366	11.2
195.06642	22.1
205.05058	1.7
205.08813	1.7
242.83932	0.9
292.36743	1.0
315.08881	1.7
324.09778	1.2
327.68695	1.2
339.08432	1.1
342.11020	2.0
356.12686	2.0
357.09769	4.4
357.13531	5.0
369.13608	1.7
372.12247	7.2
376.90317	0.9
387.14529	19.4
490.16660	3.8
505.18362	2.0
520.17169	1.2
535.19788	25.8
565.20966	4.4
583.21960	100.0
745.26276	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05550	1.4
76.04707	1.3
76.86063	1.8
76.99467	1.5
83.55777	1.6
89.07428	1.4
91.25199	1.6
96.96018	6.0
112.28094	1.9
122.03744	3.0
135.04570	2.0
136.01672	3.0
149.01385	1.5
149.02386	11.8
150.03215	40.9
150.04332	2.8
151.03969	11.6
162.03183	1.8
163.03937	2.4
164.04758	8.8
165.05556	100.0
175.03955	3.0
177.05557	2.2
180.04367	3.7
181.05055	10.2
187.44061	1.6
190.06383	6.9
195.06625	38.2
209.00089	1.5
249.38756	1.9
357.09717	3.3
372.12009	7.6
387.14499	18.5
391.38525	1.8
520.17133	1.6
535.19708	33.2
583.21869	54.6
601.77228	1.6
745.26776	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08390	1.3
56.99547	1.3
59.01383	20.2
71.01370	16.0
72.99302	36.3
74.11878	1.3
75.55764	1.3
75.56149	1.7
76.04755	1.4
83.02439	1.5
85.02950	2.3
89.02438	14.0
92.97647	1.6
101.02455	6.8
113.02423	10.6
119.03468	2.4
123.04501	14.7
135.04541	20.1
149.02444	7.1
150.03218	41.9
159.86311	1.7
161.02406	6.4
164.04794	7.2
165.04245	2.5
165.05582	61.5
165.06958	2.9
175.03967	7.1
179.03516	33.1
180.04324	2.3
195.06625	9.0
197.04573	23.6
304.07944	1.7
306.57584	1.7
311.80179	1.6
324.10156	2.8
339.12335	2.9
342.11172	1.8
369.13254	3.4
449.16547	1.8
461.15784	2.4
535.20203	2.6
697.25067	19.9
745.25635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.6
59.22736	0.9
71.01373	7.0
85.02975	1.3
89.02431	5.9
93.03444	1.2
96.95983	12.2
101.02454	2.1
113.02478	1.4
122.03717	5.2
135.04544	4.7
136.01660	4.5
149.02429	9.7
150.03224	48.0
151.04013	18.9
163.04089	1.7
164.04794	8.8
165.05563	100.0
166.02708	6.3
175.04005	1.6
180.04276	8.2
181.05101	17.3
190.02760	4.9
190.06390	7.3
191.05685	3.0
191.07281	1.8
193.05023	1.3
195.06654	28.3
197.06763	1.2
205.05077	7.2
223.06367	1.6
282.05194	1.5
315.08859	1.7
329.10437	2.5
339.08472	1.5
341.10300	1.6
342.11270	1.3
357.09811	5.1
357.13626	2.4
367.10193	2.1
369.13187	2.1
372.12234	2.6
387.14526	18.7
457.88364	1.4
535.19611	13.8
583.21954	84.7
602.63770	1.3
701.36292	2.2
745.26855	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66318	1.1
59.01381	30.2
71.01035	1.8
71.01378	17.6
72.99313	33.1
89.02444	19.5
101.02447	9.9
113.02442	6.9
119.03497	7.2
123.04515	14.1
135.04546	13.1
148.93645	1.9
149.02425	8.8
150.03215	38.0
161.02490	5.8
164.04771	3.7
164.68143	1.7
165.05565	63.2
175.03976	1.9
179.03508	24.2
180.04269	6.1
183.50302	1.3
187.09711	2.2
195.06656	10.9
197.04608	21.2
211.06108	2.5
236.54936	1.5
324.09952	1.8
369.13547	2.5
505.18750	1.9
531.18933	1.9
535.20380	2.1
697.25372	19.4
703.04065	2.2
745.26056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62637	1.2
58.52391	1.4
59.01390	2.6
62.04118	1.2
67.63434	1.2
72.99308	1.7
77.77536	1.4
78.07594	1.5
87.00871	35.7
89.02425	2.1
92.23225	1.4
93.27664	1.3
96.95997	3.3
105.19214	1.6
106.11053	1.3
110.96213	1.3
113.02417	1.9
132.74287	1.6
137.02429	1.5
138.18968	2.0
151.00352	1.5
151.04012	1.7
152.04782	1.8
166.02724	31.0
167.03447	1.6
179.03539	2.5
181.05070	100.0
197.04538	2.3
225.47910	1.5
310.85495	1.4
339.29169	1.5
387.10690	15.3
402.13397	14.0
417.15579	29.4
505.17432	12.0
531.45630	1.6
680.30975	1.6
745.26697	56.3
779.17029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06962	1.0
57.19571	0.8
59.01382	100.0
62.08360	0.9
62.37746	0.8
71.01375	22.8
73.02943	6.7
78.34746	1.0
83.01391	1.5
85.02958	7.3
89.02449	10.1
92.23126	1.0
97.02943	1.3
99.00872	4.5
99.04343	1.0
101.02431	22.5
101.06084	6.4
113.02440	16.5
116.31307	1.0
118.06487	0.9
119.03491	2.1
143.03468	2.3
159.02953	1.8
161.04559	17.6
191.05566	7.3
242.49236	1.0
245.10168	1.3
263.11328	16.3
305.12439	84.5
318.93454	1.3
349.11380	9.2
395.15582	37.6
520.08862	1.1
744.64771	1.2
745.25476	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64201	0.4
62.12936	0.4
70.75877	0.4
79.78971	0.5
92.23098	0.6
121.03075	0.5
122.03720	2.5
165.05536	7.0
179.07092	1.1
202.64536	0.4
313.14407	0.5
315.12625	0.8
334.35089	0.6
346.14233	14.2
347.74539	0.5
361.16611	100.0
523.21906	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3814
Annotation	Sarcohydroquinone sulfate B
Peak:m/z	Relative Intensity
55.90615	1.2
59.01405	1.1
61.98818	1.2
62.33174	1.0
62.77028	1.2
69.99954	1.0
71.01376	1.3
81.18392	1.2
84.83513	1.4
108.86848	1.1
120.08840	1.6
149.02452	7.8
150.06483	1.3
163.04033	2.0
164.04782	17.2
175.00333	8.1
179.07147	1.7
190.02745	71.2
191.03612	1.7
205.05080	85.2
209.04631	2.2
223.06139	10.8
270.52045	1.6
277.21716	21.4
295.23026	1.5
295.65262	1.4
467.15790	11.6
532.51257	1.4
745.38031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10957	0.3
55.77942	0.3
57.03439	0.4
59.01367	0.4
71.01410	0.3
71.83706	0.3
83.05058	0.3
89.02425	0.3
92.22471	0.4
96.95969	0.3
108.06617	0.3
116.87805	0.3
133.10255	1.3
133.30457	0.3
153.12869	2.5
155.67331	0.3
161.09717	2.0
163.11290	2.0
179.14430	0.5
180.04282	0.3
181.12274	0.6
183.12805	0.3
195.13943	1.4
197.04402	0.4
224.61467	0.3
226.41219	0.3
239.12889	0.5
240.13242	0.4
241.14468	100.0
268.35205	0.3
272.61566	0.4
450.94937	0.4
524.03491	0.5
745.40131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82306	0.5
58.33452	0.6
59.38992	0.6
62.71303	0.7
62.77522	0.5
78.95904	32.8
94.92795	0.8
96.96967	0.9
135.04526	0.6
150.98029	0.8
152.99583	100.0
160.90912	0.6
171.00607	2.8
181.00237	0.6
279.23395	2.7
433.23627	59.2
483.34610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04090	0.6
59.01381	7.8
59.26282	0.6
66.15620	0.8
71.01369	1.7
87.32125	0.7
101.02445	0.9
111.21319	0.8
116.05058	3.5
130.06581	3.1
131.37384	1.1
134.06113	1.8
142.06644	1.7
144.04543	82.0
145.09154	1.0
146.02461	33.6
158.06110	18.9
160.04030	4.2
162.05617	9.1
162.93323	0.8
174.05571	3.3
176.07162	27.0
186.05582	15.1
188.03593	1.4
204.06644	13.4
230.04553	4.0
243.95619	0.8
262.69498	0.8
281.42896	0.8
306.09808	1.1
308.07730	1.9
350.08768	4.8
368.09857	100.0
582.86823	0.9
585.66461	1.0
715.51190	0.9
715.80090	1.0
719.25995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29435	0.7
53.42289	0.9
53.74053	1.0
61.98835	100.0
67.16384	0.9
68.50293	0.9
81.90313	1.0
90.77057	1.1
103.12656	1.1
114.69796	1.1
131.41879	1.2
137.76527	1.0
294.06155	1.2
305.43671	1.1
329.13852	7.7
330.14337	12.3
331.14612	5.3
332.15015	4.3
334.38083	1.0
360.15552	1.5
405.66241	1.2
522.20703	4.4
523.20929	2.4
524.21167	5.7
746.25549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59657	65.1
59.01378	100.0
63.79388	57.8
71.04240	58.0
74.61301	61.5
77.39468	54.6
86.36813	59.2
87.76573	63.9
102.86360	73.1
144.60005	65.3
147.26964	81.5
296.86465	76.1
513.28308	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60423	0.2
56.42368	0.2
57.94456	0.2
59.01372	0.3
67.30442	0.2
69.65363	0.2
71.01366	0.3
77.19483	0.2
85.18109	0.2
89.02444	0.2
101.02441	7.3
110.09774	0.3
115.07629	0.4
130.08736	100.0
131.81224	0.2
143.03453	0.2
150.83951	0.2
161.04529	0.4
168.20905	0.3
172.09799	2.4
178.37331	0.2
179.03949	0.2
191.05679	0.3
202.10887	14.4
214.10867	1.2
232.11978	0.5
244.11909	1.2
274.12933	0.3
278.02887	0.3
292.14063	23.9
316.06067	0.3
611.97430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32573	1.0
58.65519	1.1
59.01384	35.9
60.57917	1.0
61.98832	1.0
67.98199	1.4
71.01382	18.3
72.04549	1.6
85.02938	5.0
89.02444	22.3
89.21857	1.2
101.02450	12.2
105.24524	1.1
111.57844	1.3
113.02420	7.8
119.03474	7.7
139.55544	1.3
142.31267	1.2
161.04723	1.3
179.05586	2.2
225.22252	17.4
253.21626	1.8
255.23289	2.0
271.22839	4.7
296.26102	1.4
326.27100	15.7
566.48035	1.7
746.54352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	43.9
67.36475	3.2
71.01381	16.2
74.00616	3.0
74.82796	3.2
80.85688	3.0
89.02457	21.3
101.02428	8.7
101.89530	4.5
113.02397	4.9
119.03508	5.2
123.18523	3.9
125.36967	3.8
147.03145	3.9
224.05106	3.6
225.22224	8.9
303.83145	4.5
326.26956	21.1
384.92953	4.7
586.45032	4.3
746.54462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03239	0.7
57.03458	10.4
59.01385	10.9
65.66057	0.9
66.23909	0.9
71.01366	4.4
75.00894	1.0
79.50338	0.8
84.02169	1.6
85.02947	100.0
87.00889	1.2
89.02429	4.8
93.03384	0.9
99.00899	0.9
101.02416	3.6
111.00877	3.8
113.02453	1.7
118.13547	0.9
129.01929	9.4
134.03745	1.6
139.07690	1.0
145.08704	10.4
147.02975	9.9
149.06078	1.7
155.03482	1.4
161.04623	1.2
163.04097	1.3
173.04541	5.7
175.03999	1.1
178.02719	1.9
179.03523	1.9
191.01982	30.7
191.05577	4.2
193.05124	10.1
195.10167	1.0
218.83246	1.0
239.09174	1.8
247.09717	1.3
277.99597	0.9
307.14069	24.4
311.79755	1.0
382.92035	1.0
384.89392	1.1
504.82349	1.0
585.20020	1.1
729.24054	1.2
747.23682	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
71.01385	0.5
76.58030	0.3
85.02940	0.8
89.02433	0.4
93.03458	1.4
99.02749	0.3
101.02435	0.5
111.65040	0.3
112.37998	0.3
113.02370	0.5
114.14951	0.3
115.03996	1.4
127.04006	0.5
135.04512	0.5
143.01724	1.7
161.02408	1.4
173.04547	2.7
179.03419	0.6
189.89507	0.3
191.05620	100.0
193.04932	0.5
205.33037	0.3
214.70134	0.3
337.05249	0.3
343.22812	0.4
353.08810	27.9
393.14304	2.9
747.27332	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67300	0.6
55.01891	0.8
57.03452	10.5
59.01376	6.5
62.62593	0.7
71.01377	1.5
71.43018	0.7
72.99297	2.1
75.00864	1.1
83.05019	1.2
84.02154	1.4
85.02947	100.0
90.01464	0.7
93.03442	1.0
94.99222	0.8
101.02411	1.1
103.00387	1.8
111.00866	5.7
111.04510	12.5
119.05011	1.3
121.72536	0.9
127.04011	32.6
129.01950	9.0
133.88007	0.8
134.03731	4.7
135.04517	5.5
137.02483	1.2
147.03004	9.9
149.06090	1.6
155.03506	46.4
159.76859	0.8
163.04012	1.5
173.00902	1.2
178.02705	1.1
179.03508	9.5
191.02005	38.3
191.05585	1.9
193.05070	12.7
199.02505	42.2
209.03067	1.6
217.03546	74.9
247.09712	1.3
291.61966	0.8
367.10281	2.0
379.06796	15.1
425.43729	1.0
615.85486	0.9
729.22058	1.5
747.23688	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
56.82798	1.1
57.03455	9.5
59.01389	5.0
59.59467	1.0
63.23788	1.1
70.35350	0.9
71.01375	1.9
71.61244	0.9
74.38673	1.0
77.32693	1.2
84.15285	1.1
85.02949	100.0
89.02399	1.2
103.00396	1.1
111.00875	5.2
129.01936	7.8
147.02979	6.8
175.04135	1.4
187.42838	1.1
188.52257	1.4
191.01993	34.9
191.05641	5.5
193.05067	2.0
230.82072	1.4
247.09398	1.3
280.85724	1.2
284.75836	1.2
331.19165	1.1
367.10281	2.4
729.22375	1.3
747.23602	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98438	0.8
55.01888	2.4
56.79622	0.6
57.03453	11.4
59.01387	6.9
60.48540	0.6
70.73454	0.7
71.01360	1.5
73.37303	0.7
75.00839	1.0
80.74454	0.7
84.02162	1.3
85.02948	100.0
87.00874	0.8
89.02402	0.7
99.00852	0.9
101.02405	1.5
111.00832	5.0
111.14957	0.7
111.20007	0.9
119.05005	0.8
129.01962	8.0
134.03702	1.0
135.04495	2.7
136.43222	0.8
137.02466	2.8
147.03024	10.6
149.06055	1.1
151.38733	0.8
163.04016	1.2
173.00996	1.0
173.04553	7.8
175.04135	0.8
178.02678	1.2
179.03499	4.6
187.88098	0.8
191.02003	33.5
191.05586	6.8
193.05051	4.4
196.04446	0.8
209.03062	1.0
247.09715	0.9
324.82086	0.7
343.50317	0.7
353.08783	7.3
386.28363	0.8
389.94275	0.9
675.54498	0.9
729.22693	1.2
747.23608	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17695	1.3
59.01378	8.0
66.76945	1.5
71.01374	6.1
80.07729	1.4
85.02919	1.5
89.02441	7.6
101.02444	6.0
108.02188	3.6
109.02924	7.8
111.00843	2.2
113.02390	2.3
119.03491	2.4
119.09822	1.6
120.20059	1.7
123.04515	81.0
124.04838	12.1
135.04515	7.2
136.93042	1.6
149.02446	8.4
150.03207	6.9
152.01175	21.7
153.01941	19.1
153.05579	100.0
154.05905	23.7
164.04813	18.6
165.01949	18.7
165.05527	8.3
166.02760	3.4
167.03596	1.9
175.00366	2.1
176.01172	12.1
179.03459	3.0
179.07130	3.4
180.04271	35.0
181.05038	2.6
190.02748	23.0
191.03506	48.6
194.05858	3.1
195.02913	2.5
195.06624	36.3
205.05054	61.9
208.03770	2.4
209.04524	8.1
210.05345	11.4
221.08180	1.9
223.06149	22.0
225.07765	5.8
251.05664	2.3
265.07233	6.4
315.10904	3.9
332.30225	1.7
367.10431	3.6
379.52615	2.0
519.14893	7.1
520.15375	2.5
521.16711	57.2
536.25061	1.6
575.17706	6.9
593.18726	6.9
602.95068	1.9
699.22461	5.2
747.23706	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34360	1.5
59.01366	3.0
63.77448	1.3
71.01376	24.6
72.99308	22.9
85.02970	1.6
89.02428	2.5
96.96014	2.1
96.99303	2.2
101.31785	1.5
113.60091	1.5
115.00369	10.4
123.04514	3.6
123.53945	1.8
125.02469	2.1
129.01967	6.3
133.01401	12.8
135.04550	3.2
145.15532	1.8
149.02461	1.9
149.09680	1.7
150.03220	2.8
151.03851	2.1
157.08659	1.6
165.05557	17.5
166.05931	3.7
179.03528	13.1
181.05011	3.4
182.05875	8.7
191.03560	1.8
195.06635	4.0
196.07388	1.8
197.04556	15.9
197.08206	46.4
207.06688	3.7
208.07439	15.5
223.09680	15.2
236.06807	14.1
251.09274	100.0
254.50548	1.6
257.80109	1.7
269.10229	3.9
295.08368	6.0
312.08548	8.2
313.09299	19.4
315.08765	25.0
329.10483	2.0
330.11227	12.4
349.09402	8.3
367.10321	36.0
385.11520	25.2
389.14880	2.3
538.17133	12.4
562.11322	1.7
585.22198	14.2
613.70782	2.0
747.24249	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50433	1.7
59.01385	2.1
61.96847	1.5
67.76357	1.9
72.99300	1.9
73.56471	2.0
75.84374	1.9
96.17163	2.0
96.96015	2.3
99.65969	2.4
101.02415	2.1
113.02467	2.6
123.00867	3.1
124.01669	14.9
135.04530	2.1
138.03221	2.9
139.04010	14.7
144.45828	2.1
149.02454	3.3
150.03162	2.6
164.04771	12.5
179.07104	2.5
190.02739	47.8
191.03560	17.2
191.05608	2.6
205.05069	93.1
209.04718	2.2
223.06174	9.0
337.10571	3.1
343.59988	1.9
367.10471	8.5
388.63428	2.6
463.16132	7.4
506.14276	3.9
507.15118	100.0
514.30194	2.0
538.58099	2.2
597.34125	2.1
736.96735	2.7
747.25049	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90491	0.6
53.22822	0.6
58.82138	0.6
59.01373	1.1
64.85484	0.6
68.49800	0.6
71.01357	4.3
82.02937	0.9
85.02937	1.5
87.00850	1.3
89.02458	0.8
91.55987	0.7
93.02955	0.8
93.03451	12.9
95.01216	0.7
101.02406	1.2
111.04482	4.1
113.02423	1.7
119.04994	5.6
127.03977	0.8
128.09448	0.8
137.02441	1.3
143.04990	3.7
145.02965	11.2
155.03433	4.1
163.04008	7.9
173.04553	50.3
173.06071	1.7
175.03989	0.9
191.05579	4.3
193.05112	1.0
200.28386	0.6
211.07657	100.0
223.07684	6.2
227.15807	0.8
237.09145	4.6
265.08707	15.1
309.07730	1.2
337.09265	3.1
409.14987	1.7
412.16006	1.7
529.20691	1.1
573.19934	21.2
747.24701	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19333	3.3
59.01373	17.1
68.06855	4.2
81.09276	5.5
99.92969	4.0
105.33331	4.7
117.03487	5.4
123.04475	5.0
126.28238	4.1
134.03737	26.7
145.02946	41.2
147.04520	7.4
149.02429	7.4
149.06078	21.7
150.03265	38.0
160.01672	27.6
161.02391	29.6
162.03221	65.7
164.04753	4.0
165.05617	66.1
167.03548	5.1
173.04565	4.8
175.03995	86.9
176.04814	9.6
178.02672	5.6
180.04268	4.5
191.05666	5.1
191.07121	34.6
193.05080	92.4
195.06633	9.3
207.06651	8.3
224.09456	4.2
225.11404	7.3
235.06126	76.2
265.07217	6.6
282.08981	5.5
295.08215	9.0
299.92325	4.6
341.10339	7.7
386.81445	4.3
389.12497	9.5
424.63123	5.4
491.16003	5.2
533.16681	100.0
551.17584	60.4
729.23859	54.4
743.64893	4.8
747.25311	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.6
59.01384	46.1
69.93284	1.2
70.45553	1.1
71.78442	1.1
74.29436	1.1
93.95586	1.0
99.96212	1.0
126.07957	1.1
143.97620	1.4
144.50470	1.2
151.31331	1.2
152.99567	1.4
227.51988	1.3
455.17429	2.2
473.17969	2.8
483.16489	1.8
496.13953	2.1
512.13416	13.4
526.15082	16.4
527.15771	1.7
569.16461	1.6
601.19556	1.4
613.19250	5.5
614.20258	38.2
642.14777	1.5
687.22931	1.5
747.25366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68935	0.3
54.64547	0.4
81.23052	0.4
94.93077	0.5
98.32021	0.4
101.89741	0.4
130.13210	0.5
135.04460	0.6
146.74911	0.4
149.02440	5.8
151.58879	0.5
152.01134	2.3
163.04027	0.8
164.04787	29.0
176.42606	0.4
179.07135	18.0
190.02710	0.8
193.01433	2.1
205.05095	3.0
208.03778	57.1
223.06126	100.0
234.05325	0.6
260.83560	0.5
274.01294	0.5
286.09909	0.5
330.87711	0.4
360.97519	0.4
385.11447	55.1
425.29443	0.5
557.25897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14380	0.5
56.78843	0.4
59.01384	14.3
59.76612	0.5
62.83284	0.5
71.01370	6.6
72.99306	50.0
85.02931	0.8
87.04502	0.6
89.02428	9.2
94.39453	0.5
96.95996	5.7
101.02444	4.9
101.59421	0.6
109.02926	0.9
113.02462	4.2
119.03477	3.8
123.03786	0.7
123.04527	13.0
125.79437	0.5
135.04532	16.7
151.03941	0.9
153.05676	0.7
163.11313	0.6
178.99179	0.6
179.01918	1.3
179.03510	52.5
181.12352	6.2
197.04572	78.0
207.10231	0.8
209.15219	0.5
225.11383	7.5
231.10245	0.7
246.19077	0.7
249.11269	2.8
263.12839	1.2
267.12634	0.8
291.12326	2.6
309.13303	1.0
341.08774	0.9
567.20978	12.3
585.22198	1.1
747.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19123	1.2
59.01381	13.0
63.28471	1.2
64.70301	1.3
71.01368	8.1
73.02914	1.8
77.23561	1.5
77.65395	1.5
84.27300	1.7
85.03001	1.5
87.00893	2.8
88.98792	3.3
89.02431	9.8
101.02419	9.2
109.56197	1.4
110.27009	1.4
113.02444	6.2
119.03465	6.3
123.04504	8.8
127.44524	1.5
135.04524	10.7
147.04535	6.2
149.02420	26.5
150.03210	2.9
153.05586	11.9
161.27873	1.7
163.04007	2.7
164.04787	75.1
165.01918	8.8
165.05605	2.0
166.85208	1.4
175.00366	2.5
175.03935	1.9
176.01125	13.5
179.03522	2.9
179.07095	11.9
180.04262	17.8
190.02710	30.3
191.03535	46.6
194.05797	2.6
195.06635	24.4
197.04515	1.9
199.26857	1.4
205.05080	69.9
208.03764	11.4
209.04518	8.9
210.05351	3.0
221.08237	2.9
223.04002	2.9
223.06129	74.5
225.07619	6.1
245.04520	2.2
251.05573	2.1
265.07169	7.0
311.07776	3.4
315.10855	3.1
519.15210	7.7
520.16052	1.8
521.16656	65.8
523.20306	2.1
559.44312	1.7
575.17542	7.9
593.18536	8.1
672.77374	2.0
699.22845	7.6
747.26202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.5
59.01385	100.0
63.61128	2.7
63.90134	2.4
71.01379	46.7
76.01052	2.3
85.02938	13.2
89.02441	81.3
95.01381	3.1
101.02441	32.7
104.55861	2.4
113.02433	26.2
114.81822	2.6
119.03483	29.3
134.03737	3.5
140.87457	2.4
143.03490	5.7
145.02928	3.8
149.02434	6.2
150.03209	59.9
151.03966	3.3
161.04564	10.7
164.04778	4.2
165.04219	5.8
165.05565	93.6
179.05592	31.2
180.04276	5.6
195.06660	22.7
325.10825	3.0
341.10394	37.0
356.12723	15.4
371.14981	31.2
585.22723	12.4
699.26459	5.2
747.28741	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.42929	1.4
61.46784	1.4
62.83859	1.5
71.01377	59.4
73.02940	2.3
85.02948	7.4
87.00909	1.9
89.02438	93.9
92.22577	2.3
93.49300	1.5
93.65874	1.5
95.01362	1.8
101.02444	33.5
112.87620	1.6
113.02435	21.5
118.10854	1.5
119.03487	28.4
127.90459	1.3
131.03424	2.4
143.03520	6.4
149.02428	7.2
157.57463	1.5
159.21736	1.6
161.04559	8.1
164.04800	6.8
165.05553	3.4
179.05611	45.1
226.05139	1.6
327.12381	2.9
328.13269	3.4
343.15518	2.2
344.12549	3.6
359.15021	7.1
371.14737	1.6
494.30609	2.5
507.20374	2.4
533.21173	2.0
537.21460	31.8
550.21600	1.8
567.22217	6.2
696.44043	1.7
747.29736	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.0
59.01382	100.0
61.21960	1.2
71.01378	51.9
83.01382	1.8
85.02946	9.8
87.00871	1.7
89.02437	62.1
95.01393	2.2
99.78519	1.4
101.01798	1.3
101.02444	33.0
113.02454	26.9
114.87428	1.3
119.03502	24.2
121.03036	1.2
131.03491	1.9
143.03459	2.8
149.02454	13.8
149.04547	2.3
150.03227	29.9
156.96361	1.3
161.04530	6.2
164.04781	6.4
165.05560	46.5
179.05627	24.4
180.04271	2.1
184.50331	1.3
195.06648	15.2
205.05116	1.9
205.52275	1.6
211.53331	1.3
211.78079	1.2
223.09668	1.7
323.08768	1.6
325.10852	1.7
341.10330	23.7
356.12769	15.8
371.15012	21.8
390.18356	3.0
519.20459	12.7
567.22711	2.6
643.33551	1.7
649.27295	2.6
699.26825	3.1
703.03638	1.7
703.35840	6.2
747.28912	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2879
Annotation	Alangisesquin D
Peak:m/z	Relative Intensity
56.85373	0.7
59.01148	0.7
59.01384	13.0
70.97948	0.7
71.01370	7.9
73.02946	3.0
78.71078	0.8
83.01354	1.5
85.02937	3.3
87.00816	0.8
89.02422	3.8
101.02434	9.2
107.30353	0.8
113.02422	3.9
117.43504	0.8
119.03490	1.3
121.02926	1.1
122.03709	1.5
149.02428	7.5
150.03215	42.0
162.03229	0.8
164.04785	4.7
165.05557	72.1
180.04288	5.4
195.06613	11.3
311.09290	3.2
325.10718	1.1
327.11801	0.9
341.10193	1.2
343.11835	1.7
344.12631	1.6
356.12759	2.7
357.13519	2.7
359.14850	4.9
371.15100	1.8
385.13077	1.2
452.59021	0.8
491.15817	1.2
493.19232	1.3
503.15598	7.6
506.17981	6.8
507.20123	3.8
518.17712	3.3
521.20166	11.8
533.20410	6.5
551.21808	1.5
585.23199	1.2
669.25476	1.4
676.25885	0.9
681.25616	5.8
699.26715	24.1
729.27631	3.9
747.28809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04508	0.6
54.89267	0.4
55.69702	0.5
68.60004	0.6
68.81044	0.5
80.68975	0.5
109.02937	2.2
121.02918	1.3
122.03737	3.1
122.92712	0.6
123.04561	0.8
133.02928	1.4
135.04578	0.9
147.04462	0.7
149.02444	8.2
149.06070	4.7
150.03217	37.0
154.05429	0.6
156.65393	0.5
163.03957	0.9
164.04781	5.6
165.05557	65.7
175.04193	0.7
177.05614	0.9
180.04256	6.5
190.06366	3.2
191.07127	1.2
193.05055	2.5
194.05850	2.9
195.06625	12.5
205.08730	7.8
207.06659	2.9
208.07434	12.0
222.08910	5.2
344.12772	1.3
345.13437	4.5
358.14273	2.6
359.15033	27.7
389.16003	3.2
449.06714	0.6
473.96024	0.6
478.27875	0.8
507.20294	5.6
522.18982	1.3
537.21295	18.1
567.22083	0.9
585.23474	100.0
661.49371	0.6
747.28815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01148	0.9
59.01388	17.4
60.54642	0.8
71.01381	7.6
71.68951	0.7
71.99314	0.8
73.02930	1.4
83.01363	1.2
85.02934	3.9
89.02442	12.9
99.00906	1.0
101.02434	9.1
113.02430	3.3
119.03495	5.0
121.02895	1.3
122.03727	4.1
131.20416	0.8
133.02937	1.5
133.07991	0.8
149.02473	6.6
149.03419	0.8
150.03230	51.8
164.04807	7.5
165.05565	100.0
177.05495	1.1
179.05635	1.7
179.07054	1.0
180.04300	8.0
181.04993	1.1
190.00133	1.0
195.06648	16.7
205.05093	1.4
209.04388	0.9
223.06213	1.1
311.09296	3.2
314.94336	0.9
326.08151	1.2
327.19138	0.9
341.10352	4.7
343.11935	1.0
344.12756	1.6
345.13455	2.1
356.12552	2.1
357.13672	1.9
359.15085	3.8
371.15012	3.5
491.15701	4.0
503.16122	6.7
506.18051	4.0
521.20490	11.5
533.20245	6.7
537.21191	1.8
551.21143	6.2
630.19244	1.0
681.25824	2.0
699.26855	17.6
729.27142	1.4
747.28772	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71072	1.1
57.03434	1.2
59.01101	1.5
59.01384	33.1
59.70953	1.0
62.45848	1.0
67.93642	1.1
69.39530	1.0
71.01382	20.4
73.02940	1.0
79.56129	1.0
83.01378	1.7
85.02977	4.0
89.02449	18.7
91.88705	1.2
101.02445	15.5
113.02456	10.4
113.34058	1.1
115.04005	2.5
115.87345	1.2
119.03495	6.1
126.54004	1.1
179.45268	1.3
194.81743	1.5
239.11151	1.1
241.12383	6.4
242.13235	1.9
254.13165	5.1
268.14700	5.7
272.14209	4.5
293.15652	1.3
308.17651	1.4
310.88989	1.2
337.21701	2.3
340.20645	2.1
349.21552	1.8
407.25946	5.9
425.27023	4.9
587.32251	5.3
605.33215	12.9
623.40686	1.3
627.57257	1.4
631.31396	2.3
649.32501	1.4
747.36163	100.0
772.25513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68993	0.7
56.38604	0.7
59.01101	1.4
59.01383	30.2
71.01009	1.6
71.01380	30.4
73.02940	5.5
85.02949	5.3
87.00879	1.7
89.02439	45.3
89.36355	0.9
95.01382	1.5
96.96009	3.4
97.02993	1.1
99.00887	1.6
101.02444	31.6
106.49583	1.0
109.15775	0.8
111.00922	1.0
113.02446	17.6
119.03504	20.2
125.02419	3.5
127.48504	0.8
131.03488	5.2
132.83839	0.8
143.03534	2.0
144.57710	0.8
161.02455	1.2
161.04533	11.1
161.09119	0.7
167.83058	0.9
177.68361	0.8
179.05617	13.2
193.24602	1.0
213.35922	0.9
221.06686	9.5
283.05933	1.1
298.95108	0.8
323.09729	1.9
603.99243	1.0
687.36029	100.0
703.35852	1.0
747.39258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32946	1.6
78.95904	42.2
96.96965	2.4
117.16982	2.1
117.25882	2.0
121.81198	2.0
139.11310	5.0
152.99619	45.2
171.10274	16.7
178.84601	2.4
187.44829	2.1
204.33755	2.6
211.13380	10.5
229.14391	8.4
255.23512	2.4
281.21994	4.3
281.24902	66.8
329.23389	21.0
517.03534	2.3
591.54254	2.5
747.48364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09456	0.4
55.14849	0.4
72.99298	0.5
73.02918	0.6
84.04576	0.7
94.36903	0.5
101.02449	2.4
105.24116	0.4
115.03999	2.1
128.03535	100.0
128.13852	0.5
154.05054	1.1
162.02246	1.0
168.06633	1.2
170.04591	6.2
170.98273	0.5
192.06689	0.7
197.04623	1.0
198.04094	0.8
200.05666	31.1
203.63916	0.5
212.05679	0.7
230.06821	0.7
254.06783	2.5
272.07715	0.9
285.68692	0.6
359.10025	0.7
388.12570	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.00002	0.4
65.56680	0.4
71.01371	4.0
89.02429	3.1
93.50842	0.4
94.49469	0.4
99.00874	0.5
101.02439	2.6
113.02408	0.9
116.05051	3.5
118.02964	0.7
119.03472	0.8
130.06627	3.8
132.04544	0.8
132.08238	1.7
133.01367	0.5
134.06104	2.4
142.06631	4.3
144.04546	85.2
146.02470	36.1
146.06155	2.0
148.07695	1.0
158.06113	21.2
160.04051	3.5
160.07668	0.8
162.05597	9.6
174.05602	3.1
176.07161	30.2
186.05605	14.1
188.03525	2.4
188.07080	0.7
204.06659	17.0
217.10893	0.6
230.04590	4.8
271.74338	0.5
306.09872	0.8
308.07831	2.7
324.11002	0.4
350.08844	4.0
352.10437	2.3
368.09885	100.0
379.16324	1.7
452.24277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88462	0.6
59.01380	1.8
62.61688	0.6
66.01839	0.6
69.39580	0.7
71.01412	0.7
87.00259	0.7
90.69603	0.6
93.03447	3.5
105.01933	1.6
111.04503	0.8
111.95710	0.8
112.37743	0.7
123.64939	0.7
135.03049	2.5
135.04541	9.4
140.67677	0.7
149.55170	0.7
155.03502	2.8
161.02518	5.0
173.04550	54.7
179.03508	24.1
191.05627	100.0
205.05057	7.6
233.08307	3.6
233.83621	0.7
245.06686	1.2
255.81453	0.7
271.09769	0.8
353.08856	10.5
393.13998	0.7
451.12509	78.6
499.06378	0.8
528.79547	0.9
618.96570	0.9
644.79968	0.9
652.38971	0.9
674.41034	0.8
704.25012	0.7
749.23853	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.23
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	0.9
85.02948	5.7
85.66544	0.6
86.12055	0.6
97.02939	20.4
112.71732	0.7
113.02427	9.3
114.93401	8.8
115.00371	3.1
115.04002	100.0
120.81491	0.7
179.10057	0.7
268.03760	9.8
283.06155	47.4
298.66187	0.8
322.78604	0.7
329.89746	0.7
593.14539	0.7
607.88898	0.7
648.63525	0.8
695.43414	0.7
729.54260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34562	0.4
59.78259	0.5
67.01894	0.9
96.89445	0.5
107.05030	1.1
111.00872	0.7
117.05091	0.6
119.24373	0.5
123.04518	50.6
137.06105	5.0
166.02713	3.4
167.87993	0.6
181.05078	100.0
200.57356	0.6
225.04066	48.6
227.03455	0.5
442.02072	0.6
542.10632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
63.64854	1.4
64.01085	1.6
71.01354	6.8
72.23937	1.5
72.99270	11.9
79.95450	1.5
82.90263	1.6
85.02885	2.3
87.00885	23.3
89.02408	11.1
89.02899	1.8
92.22453	1.8
96.95965	1.8
101.02390	2.9
112.58914	1.5
113.02463	2.8
115.03968	2.1
123.04463	2.7
125.09647	2.2
135.04469	6.0
151.03934	2.7
159.10294	15.4
160.52513	1.7
161.02306	10.5
165.01793	11.8
166.02631	3.9
176.04770	18.8
179.03484	38.5
180.04305	43.3
181.05006	3.4
187.09685	3.7
191.07155	15.4
194.05852	82.9
195.06631	86.7
197.04535	19.6
208.03764	2.8
209.08202	66.4
210.05331	13.9
223.06294	12.2
225.07719	21.3
304.43195	1.7
321.15524	20.9
323.45267	1.7
338.46478	1.9
339.03070	1.8
373.12759	5.5
388.11642	2.0
403.13641	11.1
448.07739	1.9
451.16055	16.1
539.17010	11.7
661.24225	3.3
749.26099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37616	0.4
57.89650	0.3
59.01379	0.6
60.81178	0.4
60.99307	1.7
61.48579	0.5
63.81984	0.5
66.66750	0.4
67.01880	2.0
71.01412	1.0
79.90481	0.4
82.00917	0.4
85.02943	2.8
85.14105	0.4
87.00867	4.2
89.14933	0.4
93.03451	20.8
110.52777	0.4
111.04497	5.7
113.02413	0.7
117.03477	0.5
119.04997	0.4
127.93401	0.5
129.01955	1.0
134.03735	2.5
137.02527	0.4
145.02928	0.7
149.06073	0.8
155.03520	2.1
163.03995	0.6
173.04558	12.4
173.06079	0.6
175.03931	0.5
191.05629	100.0
193.05049	7.8
227.07182	6.8
299.34967	0.5
367.10370	57.8
514.92780	0.5
587.17810	2.1
749.23413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21877	0.2
53.88683	0.3
59.01375	0.5
60.99295	1.5
67.01901	2.1
69.03449	0.6
71.01365	0.5
76.62372	0.2
81.03442	0.3
85.02997	0.3
87.00866	5.5
89.78149	0.3
93.03447	22.5
99.00893	0.3
111.04512	3.9
113.02434	0.3
114.65829	0.3
129.01926	1.2
134.03696	2.4
149.06161	0.3
155.03490	1.2
163.36790	0.3
170.10519	0.3
173.04555	11.1
175.04015	0.6
191.05620	100.0
193.05057	8.1
358.03952	0.3
367.10355	53.1
404.22919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47091	0.6
52.99307	0.6
58.95257	0.6
59.01378	5.4
59.87572	0.6
66.12404	0.7
71.01381	3.1
72.97044	0.7
72.99302	61.1
73.02958	0.8
89.02451	3.2
90.25282	0.7
92.32532	0.8
101.02444	1.3
112.39342	0.7
113.02416	1.0
116.92873	4.8
119.03559	0.9
123.04519	15.6
135.04514	23.1
145.08725	1.3
149.02463	2.9
151.03998	1.8
161.04575	1.2
164.04816	4.8
166.02774	1.2
175.04120	0.8
179.03500	60.6
180.04323	2.8
181.05109	4.0
185.72227	0.8
191.03508	1.2
193.01569	1.0
195.06728	3.1
197.04558	81.5
205.05154	3.2
206.05470	0.8
208.03754	6.3
223.06137	6.0
245.17459	1.3
322.40765	0.8
389.22101	0.9
407.23077	4.3
418.50601	0.8
474.61090	0.8
523.17896	3.4
718.71759	0.8
718.84479	0.9
749.32922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.9
60.21190	1.6
62.72314	1.6
63.24144	1.7
64.65443	1.9
71.01376	92.0
72.99308	34.3
73.02947	7.2
83.01384	2.2
85.02946	12.5
85.76009	1.8
87.90015	1.7
89.02435	30.5
95.01401	2.7
96.63564	1.9
97.02942	14.9
99.00895	3.2
101.02441	36.3
113.02452	26.2
115.04002	64.2
119.03479	11.5
122.69861	2.0
123.04508	7.7
135.04527	11.4
161.04570	10.3
164.04829	2.2
165.05612	3.1
179.03516	37.2
197.04558	60.3
223.06056	2.9
228.25789	2.0
259.08249	99.5
277.09198	4.3
277.72733	2.5
331.17752	15.0
446.99686	2.2
591.26746	100.0
749.32941	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12063	0.7
58.60334	0.8
59.01151	1.1
59.01389	19.7
71.01376	14.0
72.99303	56.7
73.02940	4.8
85.02932	7.6
89.02441	7.5
96.96012	2.4
99.04510	15.5
101.02447	13.2
113.02431	9.6
119.03479	1.7
123.04521	14.2
125.00701	1.5
135.04539	18.1
161.04604	3.9
163.48079	1.1
169.08717	24.9
175.19882	1.0
175.23169	1.1
179.03499	61.3
197.04567	86.5
317.47610	1.2
331.17670	1.7
374.08585	1.2
407.22849	4.9
493.23074	26.2
579.30231	41.2
618.98322	1.3
687.94672	1.3
749.32562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60073	0.9
56.16427	0.9
59.01384	60.0
60.11277	0.8
60.69101	0.8
70.86846	1.0
71.01379	31.6
72.11343	1.0
73.02935	6.1
76.97487	0.9
81.53811	1.1
83.01389	4.1
85.02935	9.8
87.00863	1.2
89.02441	30.8
95.01366	1.8
95.05039	1.3
97.02947	6.3
99.00874	1.4
101.02438	28.5
113.02446	17.0
115.03999	24.0
118.01297	1.2
119.03477	11.2
143.03450	1.3
150.03207	1.1
161.04643	3.5
162.66565	1.1
163.11275	10.7
175.04054	1.1
179.05574	1.6
181.12357	57.0
191.05652	2.4
191.29588	1.0
195.14084	1.4
196.67043	1.2
201.27890	1.2
207.10289	2.1
225.11336	20.5
241.59584	1.3
271.09570	1.2
430.70105	1.0
471.22406	49.9
479.34851	1.2
613.71619	1.1
645.34998	9.2
651.28680	42.4
663.36212	2.5
705.37347	22.1
730.55194	1.2
749.32507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.1
59.01382	51.1
64.49978	1.1
71.01376	39.3
73.02952	11.0
83.01385	6.2
85.02927	15.6
87.00878	2.0
89.02445	19.2
95.01384	5.9
97.02937	1.9
99.00875	7.2
101.02441	35.1
107.15481	1.3
111.00854	2.6
113.02444	28.4
115.04080	1.5
119.03487	6.2
125.02454	2.6
129.01915	1.9
129.54045	1.2
143.03517	1.8
150.03223	11.0
159.02980	2.7
161.04538	8.3
165.05574	19.8
169.97945	1.3
176.71960	1.2
181.08701	5.2
181.12386	5.3
193.15569	1.4
195.06693	1.9
208.10704	1.4
225.11282	1.5
229.14529	1.9
256.07422	1.5
319.65298	1.5
343.13931	2.3
471.22278	2.5
508.88458	1.5
553.22845	6.7
559.27399	2.8
645.35205	26.9
651.28925	1.8
661.31091	1.6
663.35938	20.9
701.27832	6.2
705.37170	100.0
749.31793	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83445	1.0
56.41738	1.1
57.03455	1.3
59.01379	20.7
60.73066	1.2
69.70515	1.0
71.01373	13.9
73.02943	1.9
75.81665	1.0
83.01376	1.2
85.02926	1.2
87.00882	1.4
87.89208	1.3
89.02427	17.3
89.07932	1.1
92.23080	2.5
93.42368	1.2
94.98110	1.2
97.02990	1.3
97.06579	1.3
101.02451	13.7
109.71049	1.2
113.02456	8.4
119.03486	2.7
120.48747	1.3
121.10238	11.1
125.02491	1.8
125.09700	10.3
131.44107	1.1
147.08185	1.2
147.14790	1.2
148.21173	1.4
161.04601	2.8
171.10188	1.7
185.11832	18.4
197.11836	4.9
209.11806	4.6
223.13365	1.5
235.08176	4.9
273.18518	1.8
291.19702	100.0
384.34708	1.4
397.13568	24.3
415.14618	11.2
689.33936	89.8
749.35480	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45290	0.9
57.41165	0.9
63.24890	0.8
68.84781	0.9
78.95904	29.7
90.37496	0.8
96.96918	2.0
97.16862	0.9
145.64418	1.0
152.99593	100.0
171.00662	2.2
199.32764	1.0
205.48843	1.1
262.65732	1.1
281.24918	3.8
338.37582	1.0
411.07196	1.0
435.25232	52.6
435.31110	2.4
749.42218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64381	5.1
57.28553	5.3
59.01390	10.2
60.96235	6.2
70.57075	6.3
77.63606	5.9
79.09095	6.1
89.02443	11.6
116.64040	7.1
132.15318	6.1
160.04031	15.3
162.03098	9.4
180.04329	27.4
195.06647	100.0
264.39941	8.1
266.77826	7.7
309.79730	8.5
357.11829	46.6
468.11356	7.8
483.13062	10.0
498.15994	11.5
660.21307	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43128	0.3
57.45621	0.3
60.78135	0.3
72.67109	0.3
73.02937	7.7
87.71629	0.3
92.23130	0.6
99.00873	2.1
99.92596	3.4
114.93422	0.5
115.03998	0.7
116.92854	100.0
117.01926	23.6
127.21214	0.3
127.89561	0.3
145.52484	0.3
194.41412	0.4
219.82504	0.3
283.06149	2.3
286.55386	0.3
594.40771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49491	0.3
73.02943	7.5
88.95173	0.3
95.67903	0.3
99.00875	0.9
99.92596	4.3
111.09548	0.3
115.03992	0.4
116.92851	100.0
117.01930	25.7
122.60333	0.4
224.17064	0.4
246.83609	0.3
268.03754	0.5
283.06155	0.7
289.94614	0.4
290.80499	0.4
642.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
59.05437	0.3
61.51673	0.4
73.02941	5.0
74.82446	0.4
78.60693	0.4
80.09418	0.4
81.39512	0.3
81.62212	0.4
99.00881	0.6
99.92568	3.1
115.04035	2.7
116.92853	100.0
117.01930	15.6
157.19931	0.5
163.01445	0.4
168.70757	0.4
170.32689	0.4
191.05673	0.5
202.64522	0.5
283.06171	3.2
283.08994	0.4
326.94934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74700	0.2
79.95743	1.4
92.22506	0.4
96.96003	100.0
107.83859	0.2
118.78938	0.2
224.01591	0.3
361.00143	0.3
535.88702	0.3
584.83954	0.3
743.87744	0.3
751.17987	0.4
773.01923	0.3
782.52289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38440	0.4
63.59032	0.5
71.67290	0.5
71.74685	0.6
72.98939	0.5
72.99306	3.0
75.00867	100.0
91.69700	0.5
117.79005	0.5
123.54225	0.5
146.27675	0.6
150.58531	0.5
268.03937	1.9
283.06143	12.4
343.80365	0.6
648.36768	0.5
741.52997	0.7
751.36414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
64.35303	0.6
65.57299	0.6
67.01900	0.7
69.92299	0.6
71.01384	5.0
73.02943	0.7
75.00841	0.9
85.02942	2.8
86.05058	0.8
89.02435	3.7
93.03442	7.3
97.02963	1.1
99.00880	1.2
101.02428	3.5
108.02164	13.8
109.02946	13.4
111.04507	4.2
113.02454	7.1
115.03985	3.7
119.03500	0.9
119.05007	15.3
122.88122	0.6
123.04475	0.9
137.02426	3.7
145.02982	1.6
151.04018	1.1
152.01161	30.2
153.01949	16.5
155.03496	4.3
163.04008	36.2
173.04549	100.0
191.05605	9.1
245.85355	0.7
249.06169	3.5
267.07242	10.2
289.24866	0.7
298.36484	0.7
315.07202	1.4
327.57672	0.9
337.09341	44.7
375.13107	7.1
413.10934	68.5
433.78366	0.8
433.84445	0.7
560.28577	0.7
751.21527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
59.60947	0.4
61.84695	0.4
66.62522	0.4
67.88916	0.4
68.37146	0.4
70.02973	1.1
71.01375	0.9
73.02948	0.8
88.42964	0.5
95.02517	0.9
98.02485	1.0
100.04019	0.5
101.01778	0.6
101.02435	17.8
111.01993	1.1
113.03552	19.5
114.01942	8.8
115.03981	0.8
131.04613	100.0
152.01138	0.8
161.04424	0.4
173.05666	2.5
185.05710	0.9
197.04524	1.1
203.06749	11.1
226.95116	0.6
275.08780	0.8
315.07205	0.7
391.13596	47.8
487.92578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.1
60.73946	1.7
61.98841	2.0
67.24006	1.9
71.01381	3.6
73.02943	13.6
83.01384	2.8
85.02937	2.2
88.98839	2.7
89.02456	2.4
101.02444	10.2
113.02448	2.3
122.03706	3.2
133.01398	3.4
149.02406	10.3
150.03201	58.0
151.04048	2.3
163.03996	4.2
164.04826	17.0
165.05557	72.6
166.02660	3.9
180.04300	9.3
183.06651	3.0
190.02719	48.4
195.06638	18.2
205.05072	100.0
223.06172	10.1
273.88925	2.1
295.06122	11.8
299.05499	7.5
310.08499	2.4
311.05719	11.7
313.07074	3.2
314.07996	8.7
329.10324	12.5
341.10168	14.6
408.45349	2.3
511.18280	87.4
555.18823	3.8
643.00232	2.5
703.24359	3.4
707.25775	74.0
751.27484	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31440	0.5
59.01374	2.5
60.99308	11.1
67.56783	0.5
73.02936	0.5
74.22919	0.5
75.68794	0.5
87.00873	3.5
88.00394	0.9
88.98799	100.0
89.02440	30.2
99.23550	0.5
186.38193	0.6
291.09491	0.5
751.39288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.99310	1.1
63.98214	0.5
67.01897	0.9
71.01370	1.5
83.62644	0.6
87.00876	5.9
93.03457	21.8
111.04539	4.5
134.03726	2.8
155.03447	0.8
163.03990	0.5
173.04555	12.3
175.03967	1.0
191.05630	100.0
193.05049	8.1
228.15111	0.6
247.22330	0.7
255.75360	0.6
365.37140	0.6
367.10406	54.8
395.69009	0.7
397.09109	1.4
409.94235	0.7
751.20972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50946	0.3
68.01022	0.3
72.99303	3.1
75.00887	0.4
85.02937	0.4
100.92983	0.4
123.04488	2.2
134.03740	2.2
137.02408	0.5
149.06062	2.2
150.03230	0.9
165.05545	8.4
167.07115	0.7
178.02708	2.4
179.03461	0.4
182.02211	0.6
193.05046	16.7
197.04593	3.6
211.06126	100.0
373.11417	65.7
537.90570	0.4
778.91022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68173	0.6
53.47750	0.6
54.22707	0.8
56.45964	0.7
58.00598	0.9
59.01385	88.8
64.24020	0.7
70.36860	0.8
71.01382	37.7
73.02941	0.9
73.95315	0.7
83.01357	0.8
85.02945	5.5
86.42882	0.8
87.00877	0.7
89.02442	63.7
90.15639	0.8
91.72137	0.9
93.22119	0.9
95.01376	1.1
97.02948	4.1
99.04510	1.4
101.02447	43.9
113.02447	23.9
115.04001	31.3
117.05592	1.1
119.03491	27.8
143.03429	1.0
157.05112	0.8
171.29376	0.8
179.05638	1.7
188.79785	0.8
220.85309	0.8
240.48056	0.9
279.10892	80.9
286.35995	0.8
313.46295	0.8
377.14587	100.0
556.05817	0.9
568.50171	0.9
635.86871	1.0
679.30084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50946	0.3
68.01022	0.3
72.99303	3.1
75.00887	0.4
85.02937	0.4
100.92983	0.4
123.04488	2.2
134.03740	2.2
137.02408	0.5
149.06062	2.2
150.03230	0.9
165.05545	8.4
167.07115	0.7
178.02708	2.4
179.03461	0.4
182.02211	0.6
193.05046	16.7
197.04593	3.6
211.06126	100.0
373.11417	65.7
537.90570	0.4
778.91022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.3
71.01368	11.7
71.01745	2.4
73.02953	2.8
85.02959	3.4
89.02436	13.9
99.00878	12.1
101.02467	3.2
113.02461	11.9
133.92526	2.9
138.57582	3.5
154.01936	2.9
161.13321	25.2
163.04010	2.8
187.11276	3.6
188.34674	2.7
191.05585	5.4
200.00133	3.1
205.12357	66.5
233.15703	3.6
234.82703	3.0
397.15167	4.2
415.16211	13.3
438.49622	3.4
473.27838	2.8
545.33777	4.6
603.28278	3.7
647.27307	14.2
705.40070	3.2
707.29309	100.0
751.34674	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09522	1.3
59.01401	1.6
59.63988	1.8
68.24354	1.6
71.01372	1.8
72.22502	1.4
72.27723	1.5
75.79121	1.8
94.34072	1.5
96.69888	1.8
105.23696	1.6
120.55061	1.6
123.04547	3.5
123.98119	1.8
134.03729	62.4
135.04530	8.9
137.02422	2.2
148.05266	1.6
149.02473	3.4
149.06068	26.2
150.03200	22.5
151.03993	22.9
160.01694	2.2
162.44937	1.7
164.04805	8.8
165.04234	2.3
165.05557	60.5
165.06943	2.1
175.03983	14.3
175.37328	1.6
178.02699	27.2
180.04329	3.4
181.05072	2.9
193.05072	100.0
193.06827	3.9
195.06680	10.8
201.35190	1.8
205.04898	1.8
251.07246	1.9
271.09866	2.3
282.09055	14.9
297.11453	2.1
313.17596	2.0
341.10306	45.4
371.11523	2.3
389.12500	92.8
511.18060	3.3
555.20660	21.7
703.26178	7.1
751.28400	36.6
770.25879	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.6
71.01368	7.1
87.00869	1.4
89.02428	6.6
92.92727	1.4
98.83277	1.5
101.02416	3.6
113.02428	10.1
119.03465	1.8
121.02945	6.4
134.03740	61.7
135.04460	2.1
145.96342	1.5
149.02371	6.1
149.06065	20.4
150.03220	27.9
160.01651	5.7
164.04782	8.1
165.05563	74.4
171.10240	2.5
175.04027	24.7
178.02721	21.5
180.04286	2.6
191.05652	3.3
193.05070	100.0
195.06671	18.8
225.11290	2.0
250.06421	3.5
251.05914	2.9
257.45340	1.7
282.09036	24.4
297.11218	1.9
326.07800	1.7
336.80002	1.7
341.10275	24.4
360.79828	1.6
371.11301	1.8
386.77869	1.6
389.12488	50.0
555.20990	30.4
652.64594	1.7
703.26935	2.0
751.28241	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58177	0.4
54.43052	0.4
56.61105	0.4
59.01380	35.7
71.96084	0.5
72.57259	0.5
99.18118	0.5
159.10262	60.2
178.02628	0.5
206.16032	0.6
242.17708	0.5
250.42270	0.5
268.03799	13.1
283.06137	100.0
302.85101	0.5
304.11221	0.5
353.10403	0.7
591.17316	2.0
721.27820	0.5
751.28455	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38491	1.0
59.01383	28.9
61.44677	1.4
64.23202	1.1
71.01392	9.0
71.07422	1.1
72.70169	1.2
73.02960	1.9
73.05329	1.1
74.34680	1.1
82.88384	1.1
85.02943	3.1
89.02433	15.4
99.00874	17.4
101.02438	6.9
113.02440	9.8
114.14358	1.2
116.92855	5.7
131.03479	2.7
137.02502	1.3
144.44998	1.3
145.02908	1.6
149.04477	1.7
150.06856	4.9
161.04506	1.3
161.09686	1.5
161.13368	28.8
163.03960	1.2
187.11324	11.2
191.05667	12.3
205.12354	50.2
205.14301	2.1
268.33905	1.3
320.02701	1.4
327.21909	1.7
357.85339	1.4
388.79379	1.4
397.15033	10.1
415.16168	15.2
429.69144	1.4
434.23761	1.5
488.87476	1.3
520.58514	1.4
535.53906	1.6
589.67499	1.6
603.28131	7.4
647.27148	14.0
665.28265	3.0
707.29285	100.0
751.35077	2.4
784.65240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
71.01386	2.7
74.72300	1.3
76.77666	1.2
85.02969	1.4
103.93208	1.7
108.02075	1.1
118.52937	1.2
121.02940	1.4
122.03725	2.7
133.02940	2.2
134.03748	1.8
145.02940	1.2
146.03729	1.4
147.04488	2.1
149.02463	14.0
149.06065	5.6
150.03223	65.0
156.41220	1.2
161.02536	1.3
161.06052	2.3
162.03317	1.4
164.04788	8.8
165.05560	100.0
175.07629	1.8
177.05585	5.0
178.06337	1.5
179.07231	1.9
180.04301	6.6
193.04991	2.2
195.06659	20.4
229.14456	5.2
298.08655	1.3
299.09076	1.5
304.09415	1.6
311.09131	1.5
313.10764	2.6
314.11600	6.0
326.11642	2.7
329.14078	15.7
343.11746	2.5
355.19244	1.3
447.17896	1.4
477.19159	9.1
507.20325	8.2
525.21808	1.6
555.22528	8.5
609.23431	2.8
685.26245	1.6
703.27972	16.5
715.27386	1.8
721.30139	1.8
733.28986	13.7
751.29791	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46366	1.1
56.52917	1.4
59.01385	3.1
61.02143	1.4
62.60718	1.4
65.39452	1.4
70.73076	1.5
71.01389	2.6
72.99268	2.4
88.98752	1.3
89.02437	3.1
93.48791	1.4
97.77806	1.4
105.54086	1.5
121.02935	2.1
122.03758	3.5
123.04539	2.6
125.69666	1.7
133.02956	13.0
134.03731	10.8
135.04523	3.9
145.02931	1.8
147.04523	8.3
148.05275	1.6
149.02438	22.2
149.06052	12.3
150.03223	67.2
151.04022	8.5
160.05252	6.4
161.06039	6.1
162.03275	2.2
163.04016	1.6
164.04785	21.4
165.05569	100.0
165.06972	3.2
175.03992	6.4
175.07652	10.8
177.05566	10.1
178.06380	7.4
179.03513	3.8
179.07146	2.8
180.04266	7.3
192.07904	6.0
193.05067	8.2
195.06631	22.8
197.04581	7.7
223.06041	2.1
270.09097	3.7
282.08920	2.5
315.12390	6.2
327.12015	1.8
329.13998	15.0
343.11911	6.2
391.14136	2.5
440.92453	1.7
447.18259	2.3
477.19363	17.4
492.18271	2.1
507.20255	10.9
525.21356	8.8
551.56580	2.0
555.22058	8.1
591.23260	2.1
609.23657	4.0
655.25970	6.6
685.26971	9.6
703.27924	20.1
715.28070	10.4
721.29163	12.9
733.28717	25.5
751.29834	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47657	1.1
57.66825	1.1
59.01383	13.7
71.01382	9.2
72.99300	2.5
73.02938	1.5
89.02440	9.9
94.63017	1.8
96.96035	1.8
101.02454	10.8
111.54070	1.2
113.02425	2.6
119.03522	5.1
121.02055	1.2
142.68358	1.4
161.04556	2.1
164.85532	1.3
178.19032	1.4
179.05658	5.0
180.75273	1.3
204.59866	1.3
223.17157	1.7
293.21301	6.4
319.76248	1.8
328.20547	2.3
365.24908	6.7
380.33905	1.5
381.24347	8.0
383.25919	16.5
395.31296	1.6
409.23737	18.0
427.24945	100.0
540.74078	1.4
751.35577	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80851	1.0
56.35455	1.0
57.00205	0.9
58.55760	0.8
59.01373	6.7
71.01382	2.3
71.33292	1.0
75.00881	2.6
82.81506	1.0
89.02399	1.5
101.02442	1.4
118.98051	7.6
120.76705	1.0
153.91849	1.1
310.19351	2.3
313.18036	1.9
327.23306	6.0
328.20541	6.8
337.25571	1.6
360.19556	1.4
365.24805	6.8
381.24588	7.7
383.25958	25.2
409.23865	25.3
427.24930	100.0
469.25882	4.1
743.46600	1.3
751.35614	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82047	0.6
58.97925	0.6
59.01386	1.6
71.01357	1.1
72.99307	4.2
75.00867	100.0
80.63331	0.6
89.02426	2.7
101.02456	1.4
193.95747	0.7
202.18044	0.7
202.25124	0.7
232.41154	0.7
277.21841	6.1
397.13477	9.8
415.14716	1.3
646.27844	0.9
675.36090	7.0
751.37781	2.5
764.21490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	43.1
65.32043	2.7
71.01385	26.3
80.36064	2.7
83.01380	3.8
85.02961	4.7
85.97232	3.2
87.00844	3.4
89.02434	33.4
101.02445	29.8
106.09814	2.6
113.02431	17.7
119.03486	4.3
121.10240	3.2
125.02428	5.0
171.10272	24.2
183.13901	5.1
208.90703	3.4
231.21132	4.2
235.08305	3.5
235.17055	41.4
245.35884	3.6
268.97879	2.8
275.20178	65.2
276.89618	3.2
293.21262	100.0
293.24500	4.3
363.34567	3.3
397.13611	94.7
397.18457	4.7
415.14478	45.9
460.20941	3.7
460.26932	3.8
520.23401	3.9
673.34076	16.1
691.35535	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41491	1.6
58.46006	1.7
59.01388	23.3
60.03697	1.6
68.93128	1.5
69.58671	1.6
71.01391	14.0
85.02936	2.3
89.02445	16.8
90.99174	1.9
91.89373	1.6
93.56751	1.8
97.02953	2.1
101.02432	16.6
107.64140	1.8
113.02446	3.4
113.09731	9.8
119.03487	4.4
119.37404	2.1
125.02388	3.5
148.89243	2.0
166.74564	2.0
167.10732	2.4
182.85582	1.9
195.14090	2.0
293.21274	100.0
298.38089	2.3
397.13477	34.0
415.14603	11.9
430.97192	1.9
691.35638	60.1
751.39484	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.9
60.87212	5.5
70.09132	6.0
71.01387	31.7
87.00877	10.0
89.02424	15.3
101.02437	30.1
113.02467	6.6
117.89914	6.3
119.03577	9.4
124.17887	7.2
235.17082	66.8
275.20145	70.7
293.21149	100.0
397.13495	83.1
415.14600	46.4
673.34698	28.0
691.35504	70.9
727.56079	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30249	4.1
53.94507	4.1
57.08832	3.9
59.01377	28.8
64.40495	5.0
71.01389	9.3
86.07616	4.7
89.02436	29.8
96.53919	4.6
101.02422	20.1
113.02451	7.8
114.71480	4.7
117.71266	5.0
119.03528	5.7
128.65234	5.5
195.13927	10.5
223.13495	8.9
293.21277	100.0
295.68552	5.4
303.91821	5.9
397.13474	12.7
415.14624	27.3
605.03485	6.6
691.35376	53.6
751.34644	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44825	1.6
59.01373	12.9
63.12764	1.7
70.14526	1.5
71.01375	7.9
89.02444	17.0
92.03770	1.7
101.02439	12.9
106.41076	1.9
106.63269	1.8
110.64771	2.0
113.02448	3.5
118.44169	1.9
119.03514	2.8
125.02436	3.5
144.93027	2.0
153.07568	2.3
168.78403	2.0
185.11815	11.8
270.44629	2.1
293.21252	100.0
313.68463	2.0
339.12228	2.3
358.74265	2.3
397.13535	25.8
415.14676	4.4
691.35571	57.1
711.27661	2.4
723.50116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.8
64.52436	1.3
71.01376	13.4
71.14858	1.3
73.02931	2.0
78.40050	1.5
85.02959	2.4
87.00845	2.2
89.02442	15.8
94.46931	1.7
101.02442	17.1
113.02462	7.4
113.09724	10.4
119.03472	2.4
125.02430	3.1
146.99371	1.5
156.96921	1.8
249.22336	2.5
293.21259	100.0
374.25977	1.7
397.13467	25.8
415.14536	9.2
691.35406	58.2
751.36963	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85217	1.7
59.01375	19.5
59.46333	1.9
67.44692	2.3
71.01367	12.7
73.02950	2.9
89.02444	21.5
101.02440	14.5
113.02448	3.7
113.09727	11.4
119.03513	4.7
125.02368	3.3
140.05241	2.2
161.04697	2.4
179.45488	2.4
180.95958	2.7
195.14066	2.4
200.57120	2.3
201.80574	2.1
293.21219	100.0
397.13525	45.3
415.14523	17.5
464.00522	2.3
510.42206	2.3
691.24719	3.5
691.35486	58.4
737.81439	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.2
59.55610	3.3
69.73695	3.2
71.01387	27.4
82.84680	2.8
83.01379	3.0
87.00857	4.9
89.02435	36.4
101.02440	38.4
111.88216	2.9
113.02446	14.0
117.25369	3.3
118.71580	3.1
119.03500	6.1
120.63159	3.3
130.49133	3.5
191.17964	3.9
197.23720	4.6
235.08154	6.2
235.17018	72.0
275.20236	68.9
293.21280	100.0
397.13519	68.4
401.88669	3.5
415.14612	43.2
427.98419	4.0
673.34467	22.3
691.35748	64.3
706.07794	3.8
706.19849	4.5
771.49188	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60084	0.9
52.87519	0.8
54.20179	0.9
54.59845	0.8
59.01385	12.7
71.01379	10.0
72.99291	1.0
73.02950	0.9
74.73804	0.9
78.95894	1.4
80.22227	0.8
89.02440	11.4
89.09933	1.1
101.02446	8.3
103.81976	1.0
113.02452	4.1
119.03480	2.3
125.02472	2.2
125.09705	1.3
128.67349	1.1
142.88097	0.9
149.09682	1.7
152.99612	1.4
159.73988	1.0
161.04520	1.0
185.11850	10.6
197.11839	1.9
233.70877	1.0
235.08153	1.2
293.21259	100.0
300.78381	1.0
397.13565	24.4
415.14725	8.6
545.34106	1.1
691.35614	51.0
751.36505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.8
59.01381	5.1
59.08056	0.8
61.86117	0.8
67.81854	1.0
71.01387	6.2
73.02953	3.4
75.00883	0.9
84.01752	0.9
84.74430	0.8
85.02969	1.2
89.02431	1.5
90.30120	1.0
101.02475	1.4
109.06562	1.4
111.08075	1.1
113.02417	4.6
125.09711	1.6
127.81549	0.9
139.87628	0.9
161.04608	1.1
165.12872	6.5
178.07805	1.0
191.14407	3.5
222.31831	1.0
255.21057	1.0
273.22260	1.8
277.18628	1.3
277.21729	45.0
291.23346	9.3
293.21268	100.0
303.23795	1.2
311.22357	23.3
319.22772	12.4
349.23874	1.9
379.03650	1.0
490.62592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01384	5.0
71.01397	5.3
73.02943	4.7
78.95908	2.0
82.69604	1.1
86.01237	1.0
92.22520	1.4
96.96015	22.2
96.96964	2.7
97.06554	1.7
101.02422	1.6
111.09383	1.2
113.02469	4.8
113.09714	1.3
120.81384	1.2
125.09709	5.7
132.91415	1.2
141.12837	1.7
144.28671	1.3
149.09656	1.4
162.79910	1.2
185.11835	13.1
197.11865	2.7
273.22388	5.2
277.18701	1.3
277.21756	55.9
291.23410	18.0
293.21286	100.0
301.21634	2.1
311.22336	19.0
319.22806	16.6
352.72818	1.4
569.93646	1.5
655.57947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
62.17776	0.4
64.35732	0.4
64.59425	0.3
67.58118	0.4
71.01376	1.6
72.63618	0.4
74.12337	0.4
86.04377	0.5
186.33363	0.4
207.52603	0.5
268.03775	15.6
283.06140	100.0
292.08334	0.4
398.60562	0.5
573.15802	0.6
645.18390	5.0
659.53223	0.4
752.37769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70679	1.6
63.31082	1.8
73.02950	15.8
74.22724	1.9
76.65302	1.7
89.78082	1.6
99.92579	2.8
116.92850	87.6
117.01943	51.9
117.92858	27.9
118.01453	100.0
118.02203	4.7
119.27842	1.8
125.50448	1.8
145.60754	2.3
174.42810	1.7
230.75174	1.9
268.03693	2.1
283.06104	20.6
341.11975	1.9
386.25113	2.1
489.82819	2.1
635.06836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07469	0.4
59.01386	0.6
61.98832	100.0
74.61310	0.4
100.29353	0.4
293.70966	0.4
509.70844	0.4
719.19263	0.6
783.95801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76448	2.3
55.06049	2.7
58.68692	2.1
59.01382	4.5
61.98839	5.9
66.56696	2.1
71.50227	2.2
89.02478	3.3
101.02483	4.4
132.04807	3.0
164.04781	5.3
179.07126	2.8
190.02728	12.1
205.05104	57.6
207.77075	2.9
223.06035	3.8
270.46719	3.3
469.17209	100.0
752.28534	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98840	1.2
63.20411	0.7
71.01388	1.6
73.17193	0.9
73.37158	1.0
88.98805	7.7
89.02437	5.4
97.82188	0.9
101.02441	3.6
103.54710	0.9
113.02435	1.9
127.72127	0.9
135.53851	1.1
159.97040	0.9
164.04782	4.9
179.07172	2.2
190.02721	7.9
202.71896	1.0
205.05072	38.0
207.03210	1.3
213.74789	1.1
222.05432	1.7
223.06122	5.3
323.47052	1.0
330.26807	1.0
387.92047	1.0
415.16684	1.1
463.16211	10.4
469.17212	100.0
554.82642	1.1
709.27075	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69572	0.3
72.00913	0.9
73.02959	1.3
83.60786	0.4
92.22410	0.4
101.02442	10.5
103.76028	0.4
113.92501	0.4
136.07793	0.4
144.08197	1.8
147.04518	8.6
149.06102	0.5
164.07176	100.0
174.86107	0.4
192.03011	0.4
206.08208	3.3
236.09290	15.2
245.53201	0.4
266.10358	1.5
278.10440	0.8
326.12512	19.8
469.31219	0.4
531.80463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44206	0.2
61.89491	0.2
62.07184	0.2
64.18410	0.3
70.85374	0.2
72.00905	1.4
73.02950	1.0
84.08095	0.2
95.82840	0.3
101.02448	10.3
104.81366	0.3
144.08189	1.2
147.04520	8.6
149.06088	1.1
161.04555	0.5
164.07181	100.0
206.08195	2.1
236.09290	16.8
248.09381	0.5
266.10248	1.0
277.07916	0.3
278.10303	2.0
308.11453	0.4
326.12512	18.2
366.93448	0.3
424.35666	0.3
424.41754	0.3
444.56445	0.3
506.29568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.6
78.09995	0.5
79.24077	0.5
86.89042	0.6
92.23149	0.6
99.00871	3.2
99.94894	0.6
125.06091	5.8
169.05063	2.4
216.05144	100.0
224.67883	0.6
227.07271	0.7
228.07484	1.0
274.93964	0.7
344.05515	0.6
355.12161	1.0
368.81345	0.6
373.12939	1.0
419.21625	0.7
438.33301	0.7
535.18384	1.1
695.34613	0.6
757.92175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
71.01377	8.5
79.95736	71.6
79.96183	2.9
80.96523	11.3
88.38889	1.4
89.02433	6.6
95.95208	6.5
96.96001	100.0
101.02432	2.7
113.02492	2.2
119.03490	2.7
119.40457	1.6
122.97552	6.7
123.04635	1.4
133.03023	2.8
134.03777	3.1
135.04536	1.7
145.08691	3.7
146.03693	1.7
149.02460	12.0
149.06047	9.4
150.03223	22.3
152.01158	3.2
161.02390	5.5
163.03970	2.8
164.04805	19.5
165.05539	33.6
165.06790	2.2
179.03511	6.1
179.05794	1.7
179.07130	11.2
181.05118	2.7
193.01407	6.5
194.05920	5.4
194.58255	1.8
195.06676	6.5
207.06664	1.7
208.03745	50.0
223.06116	38.7
275.34766	1.6
346.14185	2.2
361.16507	10.2
369.22318	1.6
493.20535	2.9
509.21902	3.4
528.09613	17.4
529.10248	38.4
678.70221	2.1
687.28320	2.3
693.24188	6.0
705.28271	10.7
717.29846	2.7
735.30573	6.6
753.17181	88.7
753.30994	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91956	1.0
57.03444	8.6
59.01374	2.3
59.79758	1.1
60.63902	1.1
68.95576	1.1
70.78471	1.0
71.01381	2.2
72.99322	1.7
85.02949	100.0
87.00855	2.5
87.20789	1.4
93.03454	16.3
111.00882	1.8
111.04527	2.9
129.01947	6.4
134.03751	1.4
135.19376	1.2
147.02977	9.7
158.59645	1.2
163.04037	1.3
173.04549	12.0
174.86823	1.5
191.02026	28.8
191.05640	75.8
191.07393	2.6
193.05077	5.8
209.03056	3.0
215.86049	1.3
231.67410	1.4
299.11417	1.3
322.58505	1.5
340.09656	1.8
367.06201	2.4
367.10413	44.5
385.07846	57.1
387.22269	1.6
417.12210	1.8
544.90472	1.8
579.99353	1.3
753.22626	3.0
775.94635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.1
57.03694	0.8
57.06738	0.8
59.01390	5.1
63.40571	0.8
68.07211	0.7
69.91194	0.8
71.01391	1.7
72.25827	0.8
73.02912	0.8
75.00893	1.0
75.85072	0.8
79.97964	0.8
83.01393	0.9
84.02168	1.2
85.02947	100.0
87.00855	1.1
103.00366	1.8
108.31371	0.8
111.00884	6.3
111.11424	0.8
115.00419	1.0
129.01926	7.0
134.03741	4.9
147.02994	7.4
159.36496	1.0
173.00903	1.5
173.04590	1.1
191.01978	37.1
191.05586	10.0
193.05032	10.1
209.02988	11.7
262.08658	0.9
271.06232	1.2
286.08582	5.3
301.10809	9.3
332.11810	0.9
345.28555	0.8
367.10422	1.8
385.07785	52.5
402.37714	1.0
726.52936	1.2
750.06592	1.0
753.22284	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40068	0.4
57.11544	0.4
59.01380	0.9
60.99291	0.5
67.01885	2.2
71.01368	0.6
85.02947	5.4
87.00861	5.2
93.03452	23.2
99.00913	0.6
111.04501	4.5
111.59085	0.4
120.86497	0.5
125.93857	0.5
129.01939	0.7
134.02850	0.5
134.03709	3.8
137.89154	0.5
149.06105	0.9
155.03436	1.8
173.04549	19.6
175.04106	0.7
191.01984	2.4
191.05629	100.0
193.05060	11.6
367.10388	52.8
373.60220	0.5
374.44678	0.6
385.07788	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
60.99319	0.6
64.03757	0.5
67.01884	1.3
71.01385	2.7
73.02920	0.7
85.02945	1.3
87.00867	7.2
93.03452	21.0
109.02892	0.7
109.17207	0.7
111.04521	5.9
113.02410	0.8
129.01888	0.9
134.03740	11.1
139.57072	0.7
142.06657	2.3
149.06070	1.3
155.03438	1.2
164.07150	0.8
172.79434	0.6
173.04564	16.0
186.05608	1.4
187.05882	0.8
191.05632	100.0
193.05067	20.7
204.06641	0.7
206.08130	1.4
234.57387	0.7
238.02521	0.6
271.06238	2.7
275.63342	0.7
286.08484	7.4
298.51532	0.7
301.10867	15.0
366.12018	4.5
367.10315	53.3
417.12091	3.4
461.60394	0.8
579.17102	1.0
631.55725	0.7
693.20673	3.1
753.22418	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
60.71978	0.3
65.74028	0.3
74.92990	0.4
88.31956	0.4
96.96019	0.9
108.08204	0.9
111.15408	0.4
113.02433	4.3
117.16246	0.4
121.05328	3.8
136.07683	100.0
142.68015	0.4
180.06671	50.7
249.96655	0.4
251.66814	0.4
267.61411	0.5
283.02597	0.4
328.87244	0.4
479.34848	0.5
538.04950	0.4
589.30975	0.5
777.98291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
71.01381	0.9
72.55096	0.6
92.55061	0.8
93.03439	7.8
111.04517	3.6
112.74784	0.7
119.05025	11.1
137.02423	5.4
155.03474	5.0
156.69868	0.7
163.04007	15.1
173.04549	100.0
191.05624	55.7
191.07407	1.0
200.69630	0.7
216.65379	0.6
225.12949	0.7
252.12816	0.7
337.09335	77.5
428.25775	0.9
447.67123	0.8
449.03345	0.8
557.23370	0.9
594.22699	0.8
637.46576	0.8
734.82361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27495	1.4
57.23182	1.5
59.01386	3.1
64.74966	1.6
73.02967	1.9
75.90444	1.4
89.79269	1.5
99.00832	2.0
101.02425	3.5
105.28024	1.5
108.62745	1.5
118.80421	1.4
132.02249	2.7
134.03700	1.6
142.49466	1.5
147.04524	6.7
149.02443	36.2
164.04793	100.0
179.07126	10.7
190.02701	7.7
193.05150	3.4
205.05090	14.8
206.11989	1.6
223.06116	73.7
341.09705	1.8
428.96854	1.9
435.20126	1.8
753.26135	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
71.01381	0.9
72.55096	0.6
92.55061	0.8
93.03439	7.8
111.04517	3.6
112.74784	0.7
119.05025	11.1
137.02423	5.4
155.03474	5.0
156.69868	0.7
163.04007	15.1
173.04549	100.0
191.05624	55.7
191.07407	1.0
200.69630	0.7
216.65379	0.6
225.12949	0.7
252.12816	0.7
337.09335	77.5
428.25775	0.9
447.67123	0.8
449.03345	0.8
557.23370	0.9
594.22699	0.8
637.46576	0.8
734.82361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89003	1.1
56.43098	0.9
58.89432	1.1
59.01385	3.5
62.42841	1.0
71.01366	5.0
75.55568	1.0
85.02960	1.4
89.02410	5.2
99.00859	5.1
101.02428	2.4
103.67209	1.1
113.02402	1.5
127.31953	1.1
140.29482	1.0
147.04500	7.4
149.02434	38.3
164.04788	100.0
179.07179	10.1
190.02754	9.3
205.05089	14.8
208.03764	9.1
223.06114	86.5
223.52376	1.2
521.89886	1.4
529.19409	1.6
753.26154	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
71.01381	1.7
86.11356	1.3
89.02442	2.3
90.03737	1.3
94.19046	1.2
101.02444	1.8
112.13167	1.1
113.02443	6.1
129.69397	1.2
134.06119	6.8
190.05055	9.2
195.13940	2.3
239.11937	11.5
240.10388	1.5
241.09850	1.8
253.06221	1.9
253.13506	24.5
267.07785	2.6
268.08633	4.9
281.09341	17.2
282.10391	1.5
283.10922	65.2
285.08963	1.6
287.10425	1.9
295.22589	9.3
309.08893	9.8
327.09933	2.4
397.13541	5.2
402.17789	2.3
564.72888	1.4
607.22021	6.5
639.24756	100.0
693.37122	7.6
753.41016	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88999	0.7
59.01382	0.7
60.99313	0.7
67.01900	1.4
69.03446	0.6
71.01373	3.5
74.96249	0.6
78.21010	0.7
84.98525	0.6
87.00871	4.6
91.12907	0.6
93.03446	25.6
97.79473	0.7
99.00870	0.7
111.04520	4.3
111.78895	0.6
113.02458	1.0
118.95136	0.6
121.81286	0.7
133.64362	0.6
134.03723	9.6
137.02408	3.1
149.06081	1.4
155.03484	5.1
173.04544	75.0
191.05623	99.1
193.05061	22.5
205.12344	1.2
232.40625	0.7
367.10358	100.0
403.17181	0.8
513.73584	0.8
664.08490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.99301	1.5
64.57489	0.7
67.01892	1.3
71.01409	0.6
71.75577	0.6
82.73279	0.8
85.02976	0.7
87.00867	5.1
93.03452	20.8
98.36068	0.8
108.90500	0.7
111.04495	3.4
134.03708	1.6
141.46970	0.8
173.04588	10.2
191.05624	100.0
193.05042	6.2
220.37463	0.8
226.26997	0.8
275.51227	0.7
367.10361	64.8
389.77017	0.9
434.13086	0.8
783.29993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84346	0.4
56.83192	0.3
60.99317	0.8
67.01889	1.6
69.03465	0.4
71.01386	0.8
79.87453	0.3
85.02930	0.6
87.00880	5.8
93.02866	0.7
93.03455	20.2
94.54548	0.4
99.00873	0.4
111.04496	4.5
119.86254	0.4
126.05829	0.4
127.04085	0.4
134.03748	2.4
149.06180	0.4
152.10088	0.5
153.10614	0.4
155.03540	0.7
159.63931	0.4
173.04565	10.1
175.03992	0.6
191.05634	100.0
193.05069	7.1
367.10385	61.8
735.80774	0.4
777.91382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37730	1.3
62.32339	1.7
71.01362	1.8
89.02437	1.7
93.61417	1.5
96.96010	1.8
101.02446	2.0
105.86145	1.7
121.02914	3.9
134.03746	58.5
135.04570	2.3
149.02420	12.7
149.06049	16.4
150.03210	27.2
160.01695	3.2
161.04491	2.0
164.04811	27.2
165.05560	74.0
168.36890	2.1
175.03967	18.6
178.02718	23.4
180.04298	1.9
190.02757	2.6
193.05058	100.0
195.06660	19.3
205.05113	10.8
208.03773	1.9
223.06187	17.6
249.13481	2.0
250.06380	7.2
254.09645	1.9
267.06808	1.8
282.09064	17.6
341.10355	23.7
362.36377	1.7
371.11484	1.8
381.17883	1.9
389.12509	39.1
443.24896	2.1
557.22540	19.9
753.29785	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.75616	0.5
67.01892	0.9
67.90688	0.5
71.01395	1.4
82.50192	0.5
85.02957	1.0
93.03448	10.8
98.73083	0.6
111.04521	3.2
134.03741	8.3
134.24814	0.6
137.02429	3.7
144.91145	0.7
149.06096	1.4
155.03520	5.3
163.03990	0.6
169.12514	0.6
173.04552	100.0
191.05646	3.6
193.05060	19.4
217.29364	0.6
269.15558	0.7
367.10385	47.8
417.11688	0.8
450.29974	0.9
753.22791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56157	0.4
57.03450	0.6
59.01383	0.9
60.99306	0.9
61.01834	0.4
67.01884	2.3
71.01376	0.9
77.30252	0.5
79.48404	0.4
85.02950	14.7
85.41846	0.4
87.00871	6.5
88.91898	0.4
93.03450	22.0
94.11511	0.4
99.00864	0.6
103.99407	0.4
111.04505	5.1
129.01933	2.3
134.03751	2.6
147.03011	0.7
149.06155	0.6
149.79112	0.4
155.03505	0.7
173.04536	13.2
175.03938	0.6
191.02118	3.4
191.05632	100.0
193.05064	8.6
209.03073	0.6
338.08810	0.6
367.10382	60.2
385.07794	5.8
408.40549	0.5
470.16089	0.5
478.19928	0.5
557.84546	0.7
735.48029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
67.01903	2.9
71.01387	0.7
85.02959	0.5
87.00874	5.4
90.74267	0.5
93.02868	0.8
93.03450	22.3
99.00870	0.6
111.04502	4.7
113.02463	0.6
129.01965	0.5
131.42729	0.4
134.03702	2.9
149.06003	0.6
155.03510	1.8
165.04143	0.7
173.04546	14.9
175.04033	0.8
191.05629	100.0
191.22241	0.4
193.05078	10.4
194.19814	0.4
286.08365	0.5
301.10623	1.4
367.10382	59.8
615.91296	0.5
753.22839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27598	1.1
64.31110	1.0
109.02928	1.4
110.95562	1.1
121.02959	1.6
122.03739	6.1
133.02959	13.0
134.03763	15.4
145.02992	2.7
146.03716	2.9
147.04543	2.6
149.02452	13.0
149.06075	19.8
149.25061	1.3
149.78812	1.4
150.03236	75.1
158.73607	1.4
161.06096	3.1
162.03235	6.3
164.04799	13.4
165.05569	100.0
177.05602	1.6
179.07153	3.0
180.04315	7.7
193.05083	19.7
195.06612	16.6
313.10941	1.6
343.21371	4.8
346.14081	5.8
347.15094	8.7
361.16519	18.3
477.19086	1.8
509.21915	20.9
539.22626	2.2
557.23889	11.2
591.20660	10.0
611.25214	3.2
629.29395	1.5
657.27283	7.2
687.28198	8.1
705.29279	34.2
717.29199	7.4
735.30432	20.8
753.31372	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55502	0.5
53.61577	0.7
54.56783	0.5
59.01392	2.7
61.90832	0.7
71.01382	1.5
83.05022	1.5
89.02402	1.2
101.02454	1.8
113.02408	1.7
117.03465	1.8
119.05006	4.7
120.74095	0.7
120.85513	0.6
121.06562	1.0
135.49179	0.9
145.02956	100.0
150.03255	1.0
153.01878	0.7
163.04028	14.7
165.05579	1.2
171.10277	4.9
183.10268	0.9
185.06882	0.8
201.11371	2.7
205.05103	1.6
211.13432	1.3
229.14490	6.0
268.03745	6.2
283.06158	15.9
301.11594	0.9
339.70712	0.8
343.21274	52.3
343.25455	1.8
409.15076	63.7
519.98328	0.8
753.31012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16161	1.1
62.87617	0.9
77.95953	1.0
78.95465	1.8
78.95904	41.4
82.87598	1.0
96.96941	7.1
101.87710	1.0
152.99588	100.0
171.00706	1.4
255.20822	2.2
255.23329	45.5
317.21335	1.2
356.73331	1.1
378.76956	1.1
647.22894	1.3
753.38379	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55914	0.9
58.06612	0.9
58.31351	1.0
59.01384	2.1
66.95285	1.0
71.01363	1.9
71.52859	0.9
72.99312	5.7
75.00865	100.0
100.99654	1.0
101.02453	1.2
132.71909	1.1
132.77443	1.0
148.60384	1.0
151.90475	1.0
177.31889	1.2
279.23242	6.1
295.22733	2.3
397.13593	8.3
415.14505	1.6
581.57684	1.2
677.37305	9.1
753.39941	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27092	1.2
59.01385	15.0
71.01378	9.8
71.78427	1.3
85.02956	2.3
89.02425	11.0
97.02938	1.5
101.02442	10.8
113.02452	2.7
119.03510	2.0
189.19058	1.3
195.13925	20.9
277.21692	22.5
295.22809	100.0
397.13498	13.8
415.14584	24.3
599.26141	1.7
693.37024	41.3
753.37323	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.6
60.75926	1.6
67.23634	1.7
71.01378	25.2
73.02944	2.7
73.26273	1.7
81.03442	2.1
85.02936	2.1
87.00861	3.5
89.02432	26.0
92.23869	2.0
97.02943	3.8
101.02438	23.2
103.99123	1.6
113.02444	8.9
118.46091	1.8
119.03477	3.7
125.02438	2.9
134.02534	2.2
143.03545	2.7
171.10274	39.6
235.08148	3.5
266.10620	1.9
270.95264	2.1
277.21725	69.1
293.21335	3.9
295.22775	90.0
308.60583	2.2
357.24991	1.9
397.13535	47.3
409.22147	2.2
415.14481	24.0
680.59418	2.3
693.37054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07270	1.1
59.01379	14.3
71.01374	8.9
73.02937	1.5
82.41515	1.2
89.02446	15.3
101.02439	11.5
113.02443	6.9
119.03510	2.9
161.04565	1.5
171.10291	1.4
195.13945	21.0
235.08299	1.4
252.08527	1.3
267.65784	1.5
277.21747	27.4
295.22827	100.0
397.13602	19.7
415.14819	24.8
427.62653	1.6
693.37091	43.6
753.36090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.9
62.90978	2.0
71.01385	21.8
73.02921	2.9
73.19729	2.1
87.00890	5.1
89.02451	33.9
97.02921	3.5
101.02438	22.0
113.02424	5.7
116.92122	2.9
119.03501	6.0
125.02447	9.9
126.89938	2.7
146.31503	2.2
161.04552	3.2
171.10266	52.4
227.50693	3.0
235.08253	5.3
277.21719	65.8
295.22827	84.1
376.18536	3.0
397.13550	58.4
415.14633	24.0
693.37146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40347	0.6
56.02276	0.5
57.03465	0.6
59.01382	3.3
63.89103	0.5
68.87446	0.6
69.03429	0.7
70.98652	0.6
71.01386	3.7
71.05007	0.7
73.02959	2.2
83.05043	4.5
85.02950	1.1
87.00858	0.6
87.04506	1.3
89.02456	2.5
92.23028	1.0
95.05028	5.4
97.06590	3.6
101.02455	5.3
106.04261	2.6
107.08714	0.7
113.02388	1.0
113.43071	0.6
121.27448	0.6
122.03667	0.9
124.05350	0.8
133.02917	2.2
134.03743	1.2
135.08170	15.9
145.02975	1.1
145.39198	0.7
147.04549	1.1
148.03906	0.6
149.02444	3.3
149.06110	4.8
150.03223	9.4
153.09229	3.2
161.04480	1.1
163.04155	0.8
164.04726	1.4
165.05574	15.1
171.10262	26.9
179.07071	1.1
180.04233	0.7
193.15953	0.8
195.06641	1.3
199.09767	0.6
201.11316	9.4
205.04951	0.7
205.12363	0.7
209.11845	1.5
210.81641	0.7
211.13338	0.9
221.15457	1.4
229.14519	1.1
231.13893	1.5
237.14957	5.9
249.14917	7.4
267.16055	0.7
277.16501	3.0
285.17099	3.7
289.18137	2.4
325.20111	2.4
343.21271	100.0
346.14017	0.7
347.15036	0.8
361.16635	5.6
364.29852	0.8
364.56277	0.8
409.20847	7.3
477.19193	0.9
509.21841	3.8
557.24438	0.7
611.25305	1.0
657.27271	2.6
687.28137	2.5
705.29541	5.3
717.28845	1.0
735.30066	3.7
753.32111	10.7
770.10413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06007	1.1
59.01390	1.1
61.68395	1.1
67.99241	1.0
72.44242	1.2
72.99303	5.1
75.00870	100.0
99.83819	1.3
100.44059	1.2
125.70623	1.1
167.17816	1.5
205.08818	1.2
451.10455	1.3
643.02344	1.6
677.49872	12.3
753.24420	1.6
753.51410	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41486	1.9
64.26144	2.0
64.84154	2.1
75.38589	1.8
78.24951	1.7
80.72732	1.9
94.35131	2.1
107.77071	2.2
118.35587	2.1
150.06882	14.3
211.68788	1.9
213.09129	2.0
219.37280	2.3
237.18619	39.7
263.16528	11.7
281.17590	26.2
363.23441	3.9
381.24399	27.6
384.23285	18.3
386.24707	2.5
399.25287	25.0
412.33231	3.1
414.34958	9.7
500.58994	3.1
665.31830	2.5
665.55377	17.7
709.54242	37.3
753.53290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06460	1.5
53.06749	1.5
53.97650	1.5
70.66357	1.7
72.07425	1.8
108.15889	1.9
136.05304	3.1
150.06845	17.1
163.07533	1.9
188.56204	2.1
237.18608	35.7
263.16504	9.1
281.17664	24.2
292.10672	2.0
295.66962	2.2
353.24747	2.4
355.26239	3.8
363.23181	3.0
381.24344	26.1
384.23068	20.1
386.24396	3.0
399.25458	28.1
412.33603	3.3
414.35037	7.4
665.54919	17.4
709.54474	26.0
753.53162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15815	1.1
60.19569	1.1
64.52177	1.2
65.72398	1.1
72.99305	11.4
88.16316	1.2
101.00632	1.7
101.02444	6.8
111.00900	11.0
111.94688	1.3
120.01240	65.7
123.04488	2.2
135.04604	1.7
179.03488	14.3
186.11330	4.7
192.03314	8.1
197.04558	100.0
282.06418	5.6
303.32126	1.4
359.09821	14.5
414.11877	1.5
443.64963	1.3
471.11563	1.7
505.10034	2.1
524.25684	1.3
592.13611	15.4
597.46655	1.4
664.15387	1.9
754.04852	1.7
754.18634	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04090	1.0
61.26493	0.9
61.98833	100.0
63.26460	0.9
96.81079	0.9
104.65286	0.9
111.51628	0.9
116.26915	0.9
129.98152	1.1
136.73900	0.9
152.30829	0.9
156.54826	1.1
161.99835	0.9
190.57420	1.0
244.54338	0.9
754.34814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39550	0.7
54.83415	0.7
61.87638	0.9
61.98831	100.0
76.74839	0.9
128.81285	0.9
143.28793	1.0
278.47983	0.9
286.89413	1.0
613.54358	0.9
754.34937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
70.04957	0.5
78.95900	16.3
90.68101	0.6
96.96962	0.7
119.92365	0.6
130.75833	0.5
137.47345	0.6
152.99585	38.1
171.10260	7.7
183.35933	0.5
195.13899	0.9
220.74167	0.5
254.90186	0.6
275.20068	0.5
277.21741	10.6
279.23322	96.6
281.24799	0.8
293.21216	0.8
295.22885	6.4
303.65347	0.6
335.24503	0.6
474.26501	0.8
563.00122	0.6
691.95007	0.6
754.50354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34217	0.7
66.51598	0.6
70.12292	0.6
78.95898	14.7
79.82846	0.5
96.96946	1.0
148.33966	0.6
152.99588	30.2
156.92181	0.6
166.79172	0.6
171.00621	1.0
171.10275	17.0
182.54741	0.6
195.13896	3.9
277.21732	26.6
279.23306	70.0
295.22818	18.9
358.06329	0.7
382.38263	0.6
465.69360	0.8
602.35889	0.6
722.10333	0.7
754.50336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05080	0.5
58.77580	0.6
59.01387	0.6
59.94122	0.5
77.17827	0.5
78.95906	13.7
92.23968	0.6
96.96939	0.8
113.04263	0.7
113.09749	0.9
125.29677	0.6
142.93736	0.6
152.99580	21.1
171.10287	4.9
195.13911	25.7
247.29329	0.6
266.98279	0.8
277.21756	24.8
279.23318	40.7
283.81686	0.6
295.22812	50.6
302.62213	0.7
318.87915	0.6
754.50360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50856	0.3
59.01380	1.5
60.65480	0.4
67.01887	2.2
71.01372	2.3
72.76202	0.4
72.99300	3.0
78.43233	0.4
82.64082	0.3
85.02932	0.6
85.62949	0.3
89.02448	2.5
89.20367	0.3
96.05106	0.3
101.02436	2.4
111.00871	100.0
113.02448	1.3
119.03485	1.6
121.05064	1.6
123.04508	0.4
133.57219	0.3
161.04594	2.1
179.03508	2.6
179.05623	0.4
197.04572	8.1
283.10388	9.8
340.77808	0.4
359.09949	6.1
395.11969	42.9
425.12885	0.6
498.45251	0.4
747.02216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85239	0.4
59.01391	0.4
67.17979	0.4
71.01371	2.3
72.97526	0.4
73.02943	0.7
85.02941	0.9
88.04006	0.5
101.02439	1.0
108.01434	0.7
108.02165	17.8
109.02956	11.6
113.02498	0.8
123.04475	0.5
130.08736	0.4
151.03984	1.9
151.05064	0.5
152.01154	44.1
153.01938	26.1
153.03217	0.5
163.04008	1.5
165.01915	1.0
181.05069	0.5
260.83890	0.4
315.07266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71901	0.5
59.01384	0.5
62.39952	0.5
69.08010	0.5
71.01390	1.2
78.42284	0.5
80.64693	0.5
81.30823	0.5
92.22524	0.6
99.00835	0.6
101.02441	0.9
103.47898	0.6
104.27236	0.5
108.02167	21.5
108.02866	0.8
109.02939	17.0
113.02458	1.1
114.18243	0.6
119.05029	3.3
123.04469	0.7
132.89967	0.6
134.03735	1.2
135.04581	0.6
137.02403	0.7
149.06149	0.7
151.03986	2.4
152.01155	49.5
153.01933	26.6
157.54463	0.5
163.04021	10.5
165.01920	2.4
178.02702	0.9
179.03560	0.7
181.64980	0.6
191.05579	0.7
193.05081	5.8
281.71356	0.6
295.05750	0.6
302.82657	0.7
315.07260	100.0
325.09457	1.0
367.10559	0.8
429.14047	2.7
594.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.0
59.65557	1.0
64.92828	0.8
71.01372	1.1
73.26221	0.9
74.42191	1.0
81.03461	4.8
83.05015	4.1
85.02947	6.4
93.03438	1.8
109.02937	1.2
111.04509	44.5
111.05281	1.6
113.02431	0.9
127.04008	100.0
134.03745	6.4
137.02444	7.5
149.06071	5.8
151.85629	1.0
155.03506	68.3
156.66440	1.0
178.02739	6.5
188.08473	1.1
193.05074	27.3
199.02490	80.0
232.07487	5.7
247.09705	10.1
291.08731	13.5
476.35059	1.0
555.20935	6.5
755.24066	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.46775	0.6
64.74241	0.8
71.01366	4.8
72.99294	3.7
75.09139	0.7
79.82300	0.7
86.21616	0.8
89.02446	6.2
89.51103	0.7
96.96033	1.1
99.00867	6.9
101.02425	4.7
113.02433	5.3
119.03460	1.4
147.04491	3.2
149.02449	13.4
149.04539	1.1
149.06056	1.0
164.04785	56.9
167.07062	3.2
179.07141	13.2
190.02730	9.7
191.05617	3.0
205.05054	27.0
208.03793	13.9
223.06122	100.0
241.14461	5.0
311.07819	4.2
398.26407	0.9
461.16916	0.9
515.56934	0.9
667.22577	34.3
667.33643	1.3
689.41791	0.9
755.24011	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21586	0.2
59.01392	0.2
71.01366	0.2
76.00746	0.2
85.02939	0.4
92.22495	0.2
93.03456	0.3
96.66785	0.2
106.50386	0.2
118.05583	0.2
135.04507	0.3
147.00598	0.2
161.02496	1.6
173.04578	0.3
179.03534	0.7
191.05630	100.0
226.49883	0.2
240.29163	0.2
261.75134	0.2
266.38141	0.2
335.55313	0.2
353.08823	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57770	0.8
59.01397	1.8
59.71876	0.8
69.67353	0.8
71.01372	1.8
76.68711	1.0
81.03457	5.6
83.05024	3.7
85.02962	6.3
89.87757	0.9
93.03445	5.2
101.02408	1.4
109.02951	2.2
111.04514	54.8
113.02501	1.0
115.83495	1.0
127.04011	100.0
127.42631	0.9
134.03740	8.6
137.02458	7.9
148.94470	0.9
149.06049	7.7
155.02206	1.3
155.03508	71.6
178.02734	9.8
193.05069	30.0
199.02507	86.2
202.29648	0.9
232.07446	1.4
247.09746	14.2
291.08780	11.7
356.59750	1.1
394.52634	1.0
501.97498	1.0
515.16296	1.1
555.20642	4.3
684.12476	1.1
755.23907	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02949	0.5
93.03448	0.3
127.03944	0.4
133.03032	0.3
141.53996	0.3
143.49234	0.4
161.02457	1.9
179.03467	0.5
191.05621	100.0
347.14899	0.3
353.08801	24.5
538.70056	0.4
601.50250	0.4
763.46954	0.5
770.66040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57584	1.1
57.22123	1.3
59.01382	42.8
71.01374	52.6
72.99301	11.9
73.02932	3.4
75.00857	1.6
83.01403	2.0
85.02953	7.6
85.73907	1.2
85.99171	1.3
88.98817	2.3
89.02438	25.5
97.02951	1.2
99.00861	2.2
100.58751	1.5
100.97160	1.4
101.02425	20.5
101.95092	1.4
113.02431	10.7
115.00334	7.2
115.04033	5.7
119.03503	6.2
155.05794	1.5
161.04526	5.6
164.04872	1.5
169.27336	1.3
177.98351	1.6
179.05679	2.6
179.34764	1.5
190.02977	1.4
197.04599	5.1
217.08751	12.8
223.06079	1.7
225.11356	8.8
225.71077	1.4
243.12419	18.5
257.78568	1.5
275.33911	1.5
291.55276	1.6
305.76062	1.6
379.14435	1.7
477.17926	2.2
561.19366	1.6
579.20880	100.0
639.23254	1.9
737.23486	2.1
755.23480	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.5
60.12689	1.4
71.01367	2.0
73.02924	1.8
76.67784	1.9
80.88084	1.7
89.20023	1.5
101.02442	7.4
106.68520	1.6
128.65849	1.5
149.46083	1.7
161.04590	1.9
162.03345	1.9
174.03235	6.7
176.04767	2.7
191.07132	10.3
204.49240	1.8
210.01495	1.8
235.06075	7.7
250.06279	2.4
258.56107	1.8
262.06241	3.3
262.57864	1.6
263.07001	3.8
264.07956	7.2
265.08691	7.4
267.06595	15.8
278.09442	2.3
279.06680	27.1
279.10263	26.8
282.09006	27.8
294.05475	9.2
294.08987	22.6
295.05966	2.2
297.11279	8.4
307.06207	3.0
308.06964	9.9
309.07800	12.5
309.11044	1.9
310.08484	7.4
320.07022	1.9
322.08414	18.0
323.05606	31.2
323.09344	11.7
326.08081	6.9
338.08005	59.8
341.10318	21.0
353.10318	100.0
371.11313	3.3
589.17554	2.2
634.47125	2.4
725.24640	22.9
737.24695	55.3
755.25629	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.0
69.90365	1.0
71.01373	6.1
74.25494	0.9
79.84072	1.0
80.59962	1.0
81.34301	1.0
82.94534	1.1
85.02938	1.4
86.80418	1.0
89.02426	6.4
92.23117	1.8
101.02448	4.9
108.02132	1.3
113.02499	3.1
116.19919	1.1
121.02821	1.1
138.03217	6.5
147.04512	1.9
149.02448	8.6
153.05557	9.6
160.05318	1.5
164.04794	34.4
167.79019	1.0
174.03210	1.3
178.06255	1.5
179.07132	17.1
181.05095	1.8
187.04044	4.2
188.04802	6.8
188.67986	1.1
190.02760	16.1
191.03474	5.2
203.07118	10.6
205.05057	55.9
206.05870	32.0
207.02975	4.5
208.03706	11.7
221.08211	52.3
222.05276	5.4
223.06129	78.2
237.07666	19.2
247.06039	2.3
250.04805	18.2
265.07169	100.0
273.45068	1.0
295.08249	27.3
309.07718	1.3
311.09192	1.1
324.09982	4.8
325.09326	33.5
339.12366	1.8
367.10187	1.6
369.13556	14.5
385.11432	87.5
469.17209	20.1
627.76233	1.2
737.24689	1.3
755.25012	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
60.99313	2.5
67.01897	8.3
71.01373	4.6
81.03414	1.1
85.02937	1.1
85.90970	1.0
87.00869	14.3
90.13892	1.3
93.03452	71.6
99.00867	1.2
99.89923	1.2
107.92072	1.2
111.04522	13.0
132.02167	1.6
137.02469	4.1
138.60207	1.1
148.01704	2.0
149.06007	1.5
153.05540	1.4
155.03563	8.8
163.04010	7.8
168.53728	1.1
173.04550	92.1
180.04323	1.6
190.06352	1.8
191.05626	4.9
205.08679	7.0
207.06534	1.7
208.07411	9.1
221.37228	1.2
222.09033	1.7
288.71936	1.2
344.12646	4.3
345.13177	1.4
359.10989	2.1
359.15073	37.7
375.86407	1.2
389.16248	1.7
515.15826	1.3
581.20483	6.9
755.25604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
59.76117	0.4
71.01379	6.8
72.99293	2.7
73.02940	2.1
85.02946	3.0
89.02433	7.7
92.22560	0.8
99.00859	3.8
101.02438	9.3
101.06010	0.5
113.02451	6.1
119.03489	1.9
123.00867	2.0
123.04545	0.6
135.04523	0.7
138.03246	5.9
153.05562	8.6
159.03000	0.6
161.04549	4.3
166.99844	1.7
173.85724	0.5
179.03535	2.3
182.02219	31.4
182.55685	0.4
191.05632	0.7
197.04565	100.0
263.11465	4.9
281.41510	0.5
359.05887	0.8
359.09879	12.2
395.15625	58.3
573.14209	0.5
755.25763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35202	0.3
62.05449	0.3
72.99307	25.0
84.01944	0.4
97.95134	0.4
123.04526	5.9
134.06808	0.4
135.04543	7.3
140.38910	0.4
151.60669	0.4
152.01172	0.7
153.05656	0.5
156.40848	0.4
160.46286	0.4
167.03471	8.5
179.03510	33.0
197.04576	100.0
293.09482	0.5
327.51794	0.4
329.08896	0.6
359.09894	69.0
395.16104	0.6
418.27783	0.4
480.14374	0.5
703.13434	0.4
742.99176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93991	0.3
59.01375	0.5
72.99306	25.8
73.69334	0.4
80.79064	0.4
81.81682	0.4
89.02432	0.9
106.75902	0.4
111.00851	0.9
123.04513	5.7
130.18291	0.4
135.04518	6.3
179.01904	0.8
179.03506	32.2
197.04568	100.0
218.26248	0.4
235.10704	0.4
237.25357	0.4
359.09894	74.1
555.61060	0.6
692.08521	0.5
706.71301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80454	0.3
55.22823	0.2
55.61006	0.2
58.35242	0.2
59.01376	0.5
62.43130	0.2
65.29245	0.2
70.55179	0.2
71.01408	0.3
71.21517	0.2
72.99310	1.0
85.91602	0.2
86.59828	0.2
89.02440	0.5
89.87192	0.2
90.90689	0.2
101.02467	0.3
109.02927	0.4
119.03504	0.2
123.00842	1.3
135.04489	0.3
138.03253	5.2
153.01947	0.4
153.05586	6.6
166.99850	1.6
179.03526	1.1
181.83409	0.3
182.02225	28.2
197.04570	100.0
291.03564	0.3
297.12115	1.9
359.09888	13.1
724.54456	0.3
726.76001	0.3
755.26038	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30864	1.3
59.01379	9.0
63.81502	1.0
70.10664	1.5
71.01388	8.0
76.29971	1.3
89.02426	6.7
101.02437	7.9
113.02411	4.9
115.19624	1.4
120.16510	1.3
133.00594	1.4
164.04817	9.7
166.02736	1.6
166.13861	1.5
177.36412	1.6
179.07129	2.5
181.51718	1.5
190.02715	16.2
205.05055	50.7
207.03119	2.1
208.03772	1.8
222.05379	2.1
223.06137	11.6
240.63737	1.3
265.07233	1.3
310.07620	1.4
341.47830	1.4
345.86420	1.7
431.73865	1.6
463.16107	6.2
469.17206	100.0
472.93631	1.3
542.60425	1.7
593.32068	1.7
755.25623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59296	0.7
59.70718	0.8
62.76062	0.7
73.02962	0.8
79.85091	0.7
99.92574	4.0
114.93402	1.2
116.92854	100.0
117.01916	1.4
125.69814	0.9
134.85942	0.9
135.98274	0.7
173.08333	0.8
203.39449	0.8
211.53058	0.8
277.21915	0.8
325.65530	0.8
395.75049	0.9
398.20685	0.8
441.50388	0.8
755.43512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52125	0.8
58.00568	0.8
59.01381	72.9
71.01376	30.4
85.02944	3.5
85.94028	0.9
89.02439	55.4
90.67137	0.8
97.02937	1.8
101.02435	33.4
104.09758	0.9
113.02447	18.6
115.03997	30.5
119.03493	20.9
119.05507	0.9
131.03429	1.0
143.03525	1.0
199.73862	1.0
217.49527	1.0
279.10861	54.1
377.14545	100.0
465.96539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80942	0.5
58.00592	0.9
59.01380	48.8
71.01377	19.3
83.01383	0.8
85.02937	3.9
89.02435	34.1
92.23112	0.7
97.02936	13.8
99.00871	0.8
101.02434	24.3
113.02444	10.0
113.06061	0.7
115.03998	32.7
119.03490	15.1
120.43780	0.6
131.03545	0.9
143.55208	0.5
157.05084	1.1
179.05611	2.9
277.09271	20.8
375.12982	100.0
379.15903	1.1
480.46353	0.6
558.34149	0.6
672.93201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
59.57551	0.3
60.99303	0.6
67.01883	1.4
71.01378	0.6
85.02956	0.7
87.00867	5.3
93.02862	0.7
93.03449	19.5
99.04539	0.4
111.04507	4.5
113.02443	0.3
127.03954	0.3
129.01897	0.5
134.03763	2.3
149.06032	0.5
155.03497	1.5
173.04549	11.3
175.03973	0.6
189.85840	0.3
191.05629	100.0
193.05057	8.3
211.21779	0.3
240.63681	0.3
277.46893	0.4
333.74054	0.3
367.10376	60.7
368.10718	0.5
516.63916	0.4
682.01453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	1.2
67.01886	1.0
71.01389	0.6
71.72867	0.4
83.05031	0.7
84.71800	0.5
85.02959	0.6
87.00871	6.7
93.03452	22.7
94.86063	0.5
100.99200	0.5
104.72430	0.4
111.04524	5.4
119.47643	0.5
124.89323	0.4
134.02809	0.5
134.03752	3.2
145.24022	0.5
155.03503	1.1
161.03090	0.5
169.43202	0.7
173.03186	0.7
173.04565	11.9
175.03976	0.6
191.05634	100.0
193.05017	6.9
367.10370	62.5
430.52933	0.5
510.65268	0.6
619.87878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71250	0.7
57.39765	0.7
62.71571	0.9
66.76874	0.7
67.01904	1.3
71.01362	1.0
73.70892	0.7
74.56937	0.8
83.97510	0.7
86.48181	0.8
87.00863	3.4
93.03449	21.9
103.95387	0.8
104.87246	0.8
110.52261	0.9
111.04533	5.6
134.03703	3.4
134.48306	0.8
138.30821	0.8
159.15636	0.9
167.03496	1.0
173.04498	10.8
191.05630	100.0
193.05046	6.8
205.43948	0.9
291.77618	0.9
310.15851	0.8
338.33682	1.1
367.10385	55.4
368.10599	1.2
396.53867	0.9
506.11496	1.0
549.57690	1.0
558.68085	1.0
755.23889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53135	0.4
59.01405	0.5
60.99301	0.7
67.01894	2.2
69.03445	0.5
71.01352	0.4
80.49234	0.4
87.00874	5.3
92.88810	0.5
93.03450	20.3
95.09801	0.5
104.98432	0.5
110.60670	0.5
111.04506	4.6
127.20866	0.6
129.01976	0.7
134.03745	1.9
135.05524	0.5
149.06067	0.9
155.03514	1.1
173.04559	13.9
175.03975	0.6
191.05632	100.0
193.05049	7.6
271.02695	0.5
367.10382	68.5
581.89465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67484	0.2
57.03436	0.2
59.01386	0.3
60.99305	1.0
67.01890	1.9
69.03415	0.2
70.21183	0.2
71.01373	1.4
73.15044	0.2
81.03462	0.3
83.05009	0.2
84.38296	0.2
85.02942	0.7
87.00867	5.3
92.22475	0.2
93.03452	21.7
94.75417	0.2
96.38333	0.2
99.00919	0.3
99.04533	0.4
101.02460	0.3
109.02930	0.2
111.04514	5.1
113.02412	0.4
115.03947	0.2
127.04008	0.3
127.12952	0.2
129.01935	0.9
134.03719	2.5
134.70483	0.2
138.54355	0.2
139.97807	0.2
144.38689	0.2
149.06079	0.8
155.03479	1.3
163.04013	0.3
173.04547	13.7
175.03963	0.8
191.05630	100.0
193.05067	8.8
215.37683	0.2
232.87439	0.2
337.09314	0.3
338.35306	0.2
367.10382	62.2
502.89767	0.2
537.99622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98948	0.3
59.01361	0.5
60.99293	0.8
67.01868	0.9
68.15321	0.3
69.96944	0.3
71.01357	0.4
82.74982	0.3
85.02951	0.4
87.00870	4.6
88.79802	0.4
90.69921	0.3
93.03446	22.9
111.04515	3.9
118.64128	0.4
129.01926	0.8
134.03740	2.7
143.03638	0.4
155.03477	0.8
157.92950	0.4
164.62778	0.4
173.04544	11.6
173.05925	0.7
173.61371	0.4
191.05626	100.0
193.05074	6.5
259.35507	0.4
367.10355	54.8
368.10907	0.4
380.36139	0.4
696.86591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52545	1.4
55.47855	1.3
59.01372	8.2
61.57157	1.4
61.98830	5.6
62.41041	1.3
62.50382	1.3
71.01365	3.1
78.95461	2.9
78.95901	63.5
89.02437	7.5
96.96964	17.1
101.02428	5.8
114.18063	1.4
114.40650	1.5
117.36849	1.4
118.45110	1.4
152.99571	7.2
163.82819	1.4
178.97304	1.6
207.46439	1.7
223.00067	9.3
240.98935	2.9
241.01202	62.4
259.02219	2.7
275.05661	1.7
277.21783	25.5
287.78082	1.5
295.22791	7.6
296.23145	2.9
297.23486	1.7
300.94290	1.8
315.04843	25.0
477.10089	6.5
626.26447	2.2
659.81952	1.7
695.37360	9.4
755.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88074	0.7
59.01377	1.5
59.73481	0.7
59.73801	0.7
61.64236	0.8
66.41574	0.7
70.58010	0.7
87.00916	1.0
87.09650	0.8
93.37821	0.8
101.02457	1.4
104.97050	0.7
109.09527	0.9
150.06856	42.9
163.07652	1.4
164.08475	1.5
179.10768	19.2
205.09079	0.8
281.21271	1.4
283.19299	1.0
325.23898	3.2
327.21823	10.5
428.29163	1.9
443.31732	1.6
446.30612	14.7
460.32129	1.3
461.32794	20.7
488.31448	5.3
489.32233	3.9
506.32336	5.9
507.33313	36.0
711.39703	100.0
755.37976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
61.98838	6.6
71.01392	12.7
77.75253	1.5
78.95901	6.5
83.01392	2.2
85.02936	2.4
87.00893	2.3
89.02433	18.8
94.60004	1.5
97.02913	2.7
101.02449	15.5
107.36753	1.2
112.23898	1.5
113.02440	5.8
116.92860	1.4
119.03466	2.9
125.02448	5.5
143.03592	2.4
155.10779	8.1
161.04518	2.7
179.05817	1.6
184.82298	1.3
188.45201	1.3
189.04047	1.6
216.50345	1.4
235.08199	3.0
245.73645	1.4
279.23392	14.6
297.24390	100.0
311.74847	1.5
397.13528	30.5
415.14584	15.1
695.38812	52.9
755.34625	1.6
755.41028	1.4
758.61945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57771	0.7
58.29279	0.7
59.01099	1.5
59.01383	30.9
62.08020	0.9
62.53284	0.7
71.01373	22.2
72.93208	0.8
73.02949	3.9
81.03485	1.0
81.61068	0.8
83.01383	1.6
85.02936	1.7
87.00886	4.3
89.02440	27.2
90.27192	0.9
97.02915	2.0
99.00825	1.3
101.02444	23.3
103.16446	1.0
104.54012	0.9
111.85564	0.9
113.02432	10.7
119.03477	7.3
125.02453	10.8
128.09605	1.0
143.03500	1.9
160.48784	1.0
161.04597	4.0
179.05627	1.3
221.06772	1.5
235.08199	6.1
279.23190	1.2
297.15488	1.0
297.27988	100.0
397.13531	82.3
397.18927	1.7
415.14551	21.1
695.42279	54.8
726.93097	1.1
755.49176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59509	0.3
77.37965	0.4
78.95895	27.7
96.96947	2.9
96.97491	0.4
100.75333	0.4
101.98827	0.4
132.61096	0.4
152.99576	100.0
171.00626	2.9
191.05284	0.4
278.08215	0.5
278.11359	0.5
279.23306	3.1
284.98978	0.5
429.90366	0.4
433.23615	58.0
488.12387	0.4
519.60736	0.4
538.53235	0.5
614.84149	0.5
708.46844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.2
60.00911	1.2
60.79965	1.5
68.57972	1.5
71.01380	7.8
73.02944	9.2
75.00859	1.4
78.89574	1.3
80.83409	1.3
85.02937	1.9
88.30929	1.7
88.36657	1.5
88.64681	1.4
89.78142	1.5
97.06596	1.9
101.02430	2.4
106.96664	1.5
113.02439	6.2
116.92917	1.7
119.03527	2.3
125.09731	8.5
134.75166	2.1
143.23450	1.5
147.03148	1.5
151.11253	2.8
155.14465	2.2
161.04543	2.3
232.88969	1.5
239.95857	1.7
251.23743	2.0
263.23871	2.0
275.23843	6.0
279.23325	82.0
293.21722	3.0
293.24899	40.5
295.22815	100.0
303.23199	6.4
309.08667	1.9
313.20578	2.4
313.23932	30.7
321.24374	29.1
327.21133	1.8
333.24216	2.2
351.25278	1.8
354.92734	1.6
355.99966	2.0
396.08212	1.6
755.40167	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.96109	2.2
67.83445	2.3
71.01369	5.2
74.65217	2.0
89.02443	4.0
101.02396	2.9
113.02423	5.6
155.14452	3.5
170.82553	2.2
183.10213	2.7
205.36974	2.4
214.57040	2.6
217.17873	2.4
249.18652	3.0
279.20529	4.6
279.23349	100.0
295.22839	50.6
313.23889	9.6
321.24265	19.2
351.25372	4.2
528.70239	3.0
755.40887	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75652	0.4
61.21448	0.4
79.30600	0.5
85.32755	0.5
90.07272	0.4
91.18812	0.4
107.35402	0.5
253.21748	100.0
255.23285	6.6
283.82382	0.5
441.59149	0.5
591.79938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90130	0.4
59.01385	0.7
62.38591	0.4
71.01373	5.4
75.00863	4.2
82.02963	0.6
83.41935	0.5
84.11529	0.4
85.02945	2.7
89.02444	0.9
92.21213	0.4
102.46780	0.5
103.05921	0.4
113.02443	100.0
117.01978	0.7
117.87637	0.4
119.05016	15.2
135.02998	44.7
145.02911	1.0
154.68492	0.4
161.06068	0.7
163.04012	30.8
164.07147	3.4
199.95601	0.4
205.05011	1.9
217.08704	4.0
236.05560	0.5
248.09366	0.6
252.08897	0.5
315.08664	0.7
323.07666	0.7
330.13715	0.5
354.71893	0.5
441.43906	0.5
539.20428	0.9
595.16565	1.8
642.17108	5.0
709.19830	4.0
756.19946	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22329	1.3
54.40909	1.3
67.71153	1.7
71.01388	1.7
77.58006	1.6
88.07124	1.4
88.07674	2.0
101.02466	2.0
125.06075	3.4
127.31010	1.5
150.03178	2.0
165.05568	3.3
169.05058	2.2
216.05141	100.0
218.18684	1.7
329.13824	2.6
417.25156	1.7
491.19272	3.3
539.21332	27.1
557.82172	2.1
682.12939	2.1
712.85315	2.1
726.86542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16050	1.5
56.20774	1.4
59.01382	53.2
61.92139	1.4
70.82818	1.4
71.01374	2.4
89.02435	2.7
97.02955	21.0
98.34634	1.6
101.02448	2.2
106.66953	1.6
113.02457	2.5
113.65121	1.6
115.04028	10.1
131.79355	1.6
188.03548	2.8
190.24881	1.7
224.15408	1.8
263.11383	19.7
276.06616	2.8
304.06143	10.5
304.09662	5.0
307.08685	18.5
318.07819	17.0
319.08603	7.1
322.10788	10.7
334.10858	13.5
352.11990	3.3
361.13300	2.4
421.17157	2.9
450.15649	100.0
590.27789	1.9
598.23358	1.9
748.86383	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45377	9.0
58.49086	9.8
59.01374	100.0
59.60815	9.9
71.20730	10.7
79.70689	10.8
90.12769	10.6
97.02934	15.1
101.02448	11.9
114.90263	12.2
184.64430	11.6
193.05026	12.6
223.28337	11.8
263.11353	62.9
318.07709	19.2
359.38641	13.5
450.15454	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40850	0.7
61.98835	100.0
64.30527	1.0
66.59944	0.7
68.22311	0.8
91.59972	0.8
130.36658	0.9
237.27206	0.9
296.23227	1.4
354.99002	1.0
510.17896	1.0
745.95660	1.0
756.37750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30441	1.0
54.93049	0.9
59.29103	1.1
60.03291	0.9
61.98829	100.0
63.72345	1.0
94.30572	1.1
108.73068	1.0
113.44727	1.1
116.54671	1.0
123.40251	1.2
152.99554	1.3
249.45738	1.2
256.77374	1.3
487.48248	1.2
589.21667	1.2
614.54169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83028	0.6
59.01381	1.1
61.50488	0.5
61.98835	100.0
68.80382	0.5
71.61765	0.5
78.95911	2.9
88.88453	0.6
96.96954	0.6
111.24975	0.6
154.20296	0.7
164.20699	0.6
241.01201	1.4
245.79919	0.6
295.22714	1.1
296.23087	3.8
348.34174	0.6
397.13217	0.6
511.72885	0.7
581.37646	0.7
696.37811	1.4
756.34698	4.8
774.16333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33874	2.5
57.97548	9.9
59.01376	32.7
63.01044	2.4
71.01379	14.6
89.02436	14.2
92.23075	5.4
94.90771	3.0
101.02444	14.7
113.02451	4.9
119.03555	3.0
125.00907	3.1
189.75267	3.0
201.95708	3.2
254.24756	2.7
280.26593	20.1
353.86353	3.5
396.23239	2.7
433.82690	2.9
534.48529	5.0
631.45270	3.0
640.44556	3.3
696.54382	100.0
773.10730	3.3
782.52985	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32144	0.3
63.15553	0.3
64.49467	0.4
72.99301	4.3
74.99093	0.4
105.87567	0.3
123.04568	0.8
130.79469	0.4
135.04549	0.5
145.11627	0.4
147.91925	0.4
151.03976	0.4
154.60678	0.3
179.03499	4.6
188.99609	1.7
197.04578	13.4
211.97217	0.5
220.98616	8.1
235.00159	100.0
340.78439	0.4
359.09799	3.4
397.05402	17.0
413.80533	0.4
631.78448	0.4
648.89624	0.4
757.16119	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1841
Annotation	Quercetin 3-sambubioside-7-glucoside
Peak:m/z	Relative Intensity
53.78522	0.3
54.55215	0.3
55.99496	0.3
59.01398	0.5
60.09863	0.3
76.37956	0.4
79.04559	0.3
83.90829	0.3
137.06105	0.6
151.00378	0.7
183.71950	0.4
271.02505	5.3
299.01990	100.0
300.02725	12.5
301.03528	9.3
373.91379	0.4
398.45001	0.6
462.08127	18.3
489.96448	0.4
552.62018	0.4
595.13043	3.3
660.24988	0.4
749.38635	0.4
757.18414	57.2
776.66309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
71.01373	1.3
72.99302	68.4
93.06159	0.6
99.00885	0.8
116.92832	0.8
123.03641	1.5
123.04514	32.8
128.01619	0.7
135.04517	42.4
142.74675	0.6
151.03970	4.6
163.53999	0.6
178.35692	0.8
179.03505	60.5
197.04561	40.5
211.06052	1.5
223.06099	0.8
259.01920	0.7
262.56497	0.7
371.11700	0.9
416.16827	0.7
426.18491	0.7
444.70145	0.9
757.23480	100.0
782.86676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07212	1.4
58.93332	1.3
59.01373	10.4
64.56007	1.4
71.01387	4.1
85.02937	1.8
89.02422	5.8
94.02943	2.4
101.02435	2.8
113.02422	6.0
119.05035	3.3
122.44208	1.8
134.03740	10.5
135.04491	1.8
149.02412	12.4
149.06114	3.5
150.03273	12.9
160.01685	11.5
163.03973	3.2
164.04788	27.0
165.05591	26.0
175.00452	3.2
175.04008	34.5
176.04840	2.6
177.05634	1.8
178.02708	6.3
179.05595	2.9
179.07106	3.3
180.04352	1.9
183.69978	2.0
190.02745	71.3
191.03577	2.8
191.05666	5.7
191.07262	7.0
193.05090	24.3
195.06630	8.0
205.05066	100.0
206.05833	2.4
208.03810	8.1
221.08299	7.3
223.06122	26.0
235.06052	6.7
247.06169	3.7
265.07104	3.4
282.09048	3.7
337.09357	8.7
341.10205	2.6
367.10303	21.2
389.12399	3.5
390.63644	2.0
431.13834	2.2
517.19025	3.5
533.16687	9.6
561.16290	12.9
583.09845	1.8
599.22845	2.2
727.25665	2.3
757.23828	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94570	0.4
68.44678	0.5
70.06910	0.4
71.01384	6.9
72.99316	1.9
77.71395	0.4
84.40385	0.5
89.02435	2.4
90.00291	0.5
92.72143	0.4
115.00364	35.9
117.70649	0.5
133.01427	100.0
235.02286	0.9
354.53116	0.6
406.37012	0.5
479.05237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73057	0.7
59.01133	1.1
59.01384	15.0
71.01385	13.0
73.02941	2.0
80.64261	0.9
89.02437	24.5
91.16989	0.8
99.00875	24.4
100.02361	0.9
101.02438	9.3
106.89006	1.1
113.02444	11.0
119.03609	8.7
119.05016	56.2
122.44207	0.8
131.03467	3.6
137.06091	1.1
149.04538	4.7
161.04567	3.3
163.04015	89.2
191.05611	4.3
222.45013	0.9
299.11563	1.3
325.09344	21.5
431.15628	100.0
467.79428	1.1
549.02930	1.1
619.40741	1.1
747.01343	1.0
757.24805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2661
Annotation	Kuwanon W
Peak:m/z	Relative Intensity
59.55371	0.9
62.98403	0.9
78.95895	4.6
90.38481	0.8
107.04997	1.5
107.70313	0.9
109.02950	16.6
113.09254	0.9
121.02928	2.0
125.02416	6.2
135.04485	2.2
137.02426	1.3
151.04004	5.5
152.99529	1.6
161.02455	3.9
173.06091	3.8
175.07648	19.4
191.07158	6.1
215.07141	1.1
217.08719	9.1
227.07124	4.5
228.10890	1.1
231.06653	8.9
243.06540	9.5
247.56493	1.1
257.08237	2.4
283.06122	2.0
283.09842	1.0
284.03259	6.2
295.09631	1.7
297.08072	1.6
297.11334	18.9
309.04099	1.3
309.11179	1.3
310.05035	2.2
319.09805	1.7
335.05615	1.5
349.10791	5.5
353.10437	12.7
361.11008	1.6
363.55002	1.1
365.10452	1.6
379.11856	10.8
417.13611	1.5
419.15082	6.4
471.14847	1.2
581.18030	5.3
757.26630	100.0
757.40247	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38803	1.2
58.43143	1.3
59.01381	28.1
62.12707	1.3
62.58968	1.4
69.33781	1.6
71.01377	16.3
82.29580	1.7
85.02930	1.5
88.98771	6.1
89.02437	21.3
92.23045	1.6
96.95993	2.1
101.02442	17.2
103.32449	1.4
113.02439	13.4
119.03501	10.9
122.05186	1.4
133.73729	1.4
141.30519	1.5
145.08685	2.7
146.93839	1.4
161.04561	3.4
180.01370	1.7
197.08176	3.6
217.08737	2.1
223.06107	1.5
225.09305	1.6
237.53598	1.7
263.11368	61.4
279.10837	12.8
325.05911	1.5
359.13455	11.7
377.14368	9.5
453.26508	1.6
623.25787	21.7
757.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
59.35464	0.3
69.21813	0.4
79.18987	0.4
92.22503	0.8
93.03445	33.9
116.63177	0.5
137.02441	100.0
163.18034	0.5
202.89423	0.5
260.57983	0.5
311.11859	0.5
323.39178	0.5
590.18323	0.5
757.26318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36802	1.1
59.01373	4.9
67.70360	1.1
71.01367	5.6
80.18481	1.1
85.02969	1.5
89.02430	1.7
101.02411	5.4
104.21297	1.3
113.02423	1.6
123.77230	1.4
132.55243	1.5
149.02414	5.5
164.04819	18.7
165.05563	1.6
171.85904	1.3
175.00403	5.1
175.04054	4.2
179.03630	1.4
179.07127	5.7
180.04254	1.9
186.03427	1.5
189.05579	2.7
190.02727	53.6
190.06345	9.8
191.07198	1.3
193.05182	2.0
194.05811	2.7
205.05075	92.2
205.08638	13.7
207.06546	2.3
208.07408	24.2
222.08939	7.5
223.06151	19.3
227.21204	1.4
290.62924	1.4
352.07965	2.6
359.15085	22.7
367.10400	26.0
534.68634	1.5
727.26337	16.2
757.27075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	36.7
71.01386	14.4
78.50035	1.1
81.42872	0.9
89.02444	29.2
90.60210	1.0
97.03018	1.3
101.02442	20.2
104.16216	1.1
104.65005	0.9
113.02451	10.3
115.04005	14.4
119.03489	13.5
135.70055	1.0
151.00397	2.3
153.64012	1.1
173.99977	1.1
178.99905	1.4
179.05692	1.2
191.05635	6.9
225.85812	1.0
245.71048	1.1
255.02965	6.6
271.02557	11.8
279.10895	34.4
299.02100	2.2
300.02786	100.0
301.03680	8.9
309.21268	1.1
349.63928	1.1
353.08768	1.1
377.14587	52.6
379.15930	2.5
595.12958	17.1
704.26123	1.2
757.18335	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83494	0.3
60.43580	0.2
60.99298	1.3
67.01881	2.0
69.03461	0.6
71.01375	0.7
71.29672	0.3
73.00223	0.3
83.05026	0.4
85.02956	0.6
87.00865	6.6
93.03455	21.5
99.00871	0.5
99.04538	0.4
111.04513	4.8
129.01936	0.5
134.03712	3.0
143.03508	0.4
149.06180	0.4
155.03514	1.6
173.04558	11.0
175.03990	1.2
191.05629	100.0
192.05972	0.7
193.04987	6.9
247.48398	0.4
340.73782	0.4
367.10370	56.6
368.10724	0.6
369.11047	0.6
369.65298	0.3
668.76947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63496	0.2
59.01360	0.4
60.99291	0.7
67.01898	2.0
69.03451	0.4
71.01371	0.7
81.03443	0.3
83.05045	0.4
85.02948	0.5
87.00867	5.4
92.23105	0.4
93.03448	22.3
99.00863	0.3
109.02926	0.3
111.04512	5.0
113.02458	0.4
115.04002	0.4
117.03423	0.3
127.04070	0.4
129.01923	1.1
134.03706	2.6
149.06065	0.4
151.84056	0.3
155.03432	1.1
161.24016	0.3
173.04543	11.2
175.04057	0.7
191.05627	100.0
193.05049	8.4
243.23531	0.3
367.10364	55.3
369.57959	0.3
485.73157	0.3
625.78949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
60.99313	1.3
67.01905	1.7
68.84930	0.2
69.03434	0.4
72.80286	0.2
81.03486	0.3
85.02953	0.5
87.00877	4.5
88.46619	0.2
93.03453	20.4
99.04481	0.3
111.04507	5.0
113.02424	0.3
127.03941	0.3
129.01962	1.0
134.03748	2.6
149.06038	0.5
149.28026	0.3
149.66046	0.2
155.03552	1.1
173.04555	11.5
175.04005	1.0
191.05635	100.0
192.06015	0.4
193.05016	6.7
208.50301	0.3
216.82724	0.2
302.39850	0.3
367.10382	59.1
368.10791	0.4
369.10953	0.5
383.74509	0.3
528.51331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54607	0.4
65.00021	0.5
67.01897	2.2
67.56309	0.6
69.03465	1.0
71.01380	0.9
85.02957	1.1
87.00867	6.2
93.03446	19.7
95.55135	0.5
111.04507	3.5
129.01938	0.8
130.36765	0.5
134.03726	3.9
155.03508	0.8
173.04559	12.7
175.03975	1.0
185.47751	0.5
191.05627	100.0
193.05016	10.4
203.95248	0.6
288.72803	0.6
367.10358	50.6
453.96991	0.6
773.46130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54985	1.4
61.51352	1.2
64.77853	1.8
78.95898	100.0
90.65110	1.7
96.96942	16.0
99.87952	2.0
99.89213	1.6
102.27339	1.8
150.97987	3.8
152.99583	31.8
162.38525	1.9
206.38538	2.1
241.01228	15.0
279.23282	26.1
491.77072	2.1
757.33954	82.8
757.46222	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.4
71.01380	11.0
72.36586	0.8
73.02946	1.4
74.71331	0.8
85.02949	4.1
85.14436	0.9
89.02450	10.5
97.02936	1.1
101.02422	16.2
107.09036	1.1
113.02440	6.3
115.03975	4.4
119.03473	5.1
125.02373	1.2
131.03488	4.0
161.04544	4.3
221.06721	4.6
275.20389	11.7
317.21234	14.1
335.22327	29.9
405.22925	1.2
479.26709	1.3
497.20438	1.3
497.27725	30.2
641.32135	1.5
659.32941	54.5
757.36591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
69.04175	0.7
80.29516	0.7
85.02927	0.8
87.00873	1.0
87.88125	0.7
134.52008	0.7
150.06863	36.9
163.07652	3.9
164.08449	1.6
179.10783	22.5
249.02209	0.9
327.25650	1.6
329.23355	13.6
374.43781	0.8
393.07410	0.9
411.44043	0.9
445.33759	0.9
448.31992	13.0
462.33578	1.5
463.34421	22.1
490.33054	6.6
491.34067	6.1
508.33929	5.7
509.34857	47.0
509.42499	1.6
671.39685	1.5
713.41278	100.0
757.26154	1.1
757.39661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.5
64.32243	0.4
75.00869	3.7
76.02862	0.4
93.42179	0.5
104.86825	0.4
119.63746	0.4
152.99615	0.9
174.62421	0.5
191.31456	0.5
199.80614	0.6
271.20737	3.4
277.21771	2.2
299.20163	5.3
317.21255	100.0
398.26315	0.6
454.24915	0.5
743.24347	0.5
757.43384	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
59.93993	0.3
60.09420	0.4
71.01378	1.5
74.18586	0.3
85.02933	0.9
89.02432	0.4
101.02436	0.9
108.02162	19.2
108.02876	0.9
109.02950	13.8
113.02409	0.8
121.02946	0.9
123.04520	0.5
151.03998	1.4
152.01149	47.7
153.01935	28.0
163.04004	0.9
165.01877	2.6
181.05060	0.6
218.34232	0.4
227.39880	0.5
315.07254	100.0
316.07623	5.0
325.38184	0.4
376.39871	0.5
502.10211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48187	0.5
59.01391	0.6
61.98835	100.0
83.77702	0.5
87.02736	0.6
105.22578	0.5
112.13886	0.6
221.21187	0.7
306.01077	0.5
323.60132	0.6
440.48611	0.7
628.28998	0.6
695.25793	0.9
785.11157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99931	0.3
61.76906	0.3
61.98834	100.0
77.04927	0.3
80.88781	0.3
86.40381	0.3
164.04878	0.3
185.43408	0.4
192.06163	0.3
205.05112	1.3
262.43912	0.4
275.77454	0.4
282.95944	0.4
302.72766	0.3
469.17361	0.8
513.80829	0.4
695.25702	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99154	0.5
78.95914	3.1
79.15603	0.7
79.95735	2.0
96.96004	100.0
96.96907	6.4
98.08670	0.5
110.61646	0.6
117.79686	0.6
132.51340	0.6
148.60542	0.5
201.62497	0.6
236.12540	0.5
347.65872	0.6
369.31146	0.6
580.29822	0.6
585.21808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63467	0.2
54.46164	0.2
70.21532	0.2
70.49873	0.2
70.80378	0.2
76.38574	0.2
80.25552	0.2
83.05047	0.3
93.03485	0.3
111.04510	1.1
113.02402	1.0
117.03469	2.5
134.03740	36.7
137.02411	0.3
149.06096	8.0
155.03464	3.3
163.04065	0.3
173.04546	4.7
191.05652	2.8
193.05072	100.0
194.05362	0.3
300.96738	0.3
367.10376	63.0
368.10983	0.3
566.44354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
60.02069	2.7
65.20353	2.6
71.01403	2.5
72.91995	3.1
87.17377	2.3
101.02454	4.7
113.02404	5.1
114.78967	3.0
118.15109	2.8
123.04535	3.3
126.12234	3.0
133.02946	66.3
134.03752	17.4
135.04527	68.6
137.02510	4.0
145.64304	2.9
149.02454	5.8
161.02438	45.8
161.04547	3.3
169.95316	3.3
174.19513	3.2
177.01932	17.2
178.02769	13.5
179.03522	100.0
233.04521	5.3
269.32126	3.0
420.05551	3.6
561.16235	28.3
563.17542	37.4
617.18427	5.8
741.24011	4.0
759.25269	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69861	3.4
59.01382	4.7
80.31786	3.2
106.36383	3.3
122.03709	4.8
146.03734	7.5
159.97472	3.3
161.06070	7.2
164.04831	4.1
179.07149	100.0
180.04283	8.2
191.07152	51.4
195.06645	53.0
207.06558	4.6
230.36429	3.7
235.33188	3.5
279.51370	3.5
297.11328	3.9
306.49280	3.5
327.12369	22.6
340.76300	3.6
345.13510	13.3
360.12180	6.8
375.14526	78.9
537.19702	93.1
594.18677	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.282
Annotation	Brosimone B
Peak:m/z	Relative Intensity
69.58392	0.8
78.95927	0.9
79.50484	0.8
84.23032	0.8
108.02170	1.2
109.02931	21.5
121.02928	5.4
125.02438	9.2
133.02872	1.2
135.04520	5.3
137.02461	1.8
151.00317	1.3
151.03979	7.6
161.02495	6.8
164.04895	1.0
173.05998	7.5
175.07639	5.9
177.09224	17.6
189.05551	1.3
191.07143	7.3
201.09229	1.3
215.07121	1.6
217.05022	1.6
219.10284	6.5
227.07161	6.0
231.06647	8.8
243.06635	10.9
244.46356	0.9
257.08203	5.7
269.08136	1.7
283.05832	3.0
284.03214	7.3
295.09772	1.9
297.11343	23.5
309.03949	2.2
309.11307	4.2
310.04831	2.1
335.05637	1.2
349.10593	8.8
353.10349	11.9
361.10760	1.9
365.10193	4.2
368.98444	1.3
379.11890	12.4
417.13559	1.7
419.14938	7.9
471.14520	1.3
512.74445	1.1
539.16711	1.3
581.18280	19.5
639.86719	1.1
684.51862	1.1
759.28198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38641	1.1
55.53931	0.9
59.01382	39.8
60.45194	1.1
61.98835	1.5
71.01389	16.7
85.02946	2.4
87.00879	1.4
89.02441	21.6
96.96012	2.6
101.02454	14.5
103.71638	1.2
112.87040	1.1
113.02451	6.9
114.25142	1.3
119.03483	8.5
139.07639	1.4
149.02438	13.8
150.03207	16.2
160.01591	1.9
161.04543	1.7
164.04794	19.0
165.05557	22.8
168.42015	1.4
173.04445	1.4
175.00346	2.8
175.04010	2.7
176.01106	2.8
177.05644	1.3
179.05592	8.4
179.07156	6.8
181.05106	2.9
190.02734	32.3
191.03558	10.1
193.05043	2.4
195.06630	3.0
205.05086	46.2
208.03870	1.4
209.04637	1.4
223.06134	7.4
265.07193	1.4
353.10391	8.6
368.12662	9.8
383.15048	6.4
520.71924	1.4
531.20087	9.9
537.21539	6.7
549.19177	1.6
567.21875	1.4
597.23218	1.8
711.26813	2.2
759.28790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35323	0.3
66.26920	0.3
68.20606	0.4
71.01009	0.6
71.01379	8.1
72.99309	1.0
89.02444	0.8
115.00360	34.1
133.01427	100.0
182.77956	0.4
206.96712	0.4
304.43222	0.4
385.41199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92262	0.2
57.71468	0.2
70.30354	0.2
73.91141	0.2
76.10230	0.2
79.95733	1.6
84.94078	0.2
96.96002	100.0
124.27822	0.2
125.25035	0.2
143.36304	0.2
195.03517	0.2
688.66669	0.2
759.31537	1.3
787.68567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.5
67.62830	0.8
71.01379	19.1
73.02944	6.3
85.02939	2.2
89.02439	39.1
91.92786	1.0
99.00880	42.2
99.01523	1.5
101.02445	15.9
113.02441	17.6
119.03493	11.4
131.03474	5.0
149.04515	6.4
161.04596	6.3
191.05640	10.5
243.44797	0.9
249.23329	0.8
266.59229	0.9
271.13617	1.1
355.25580	1.0
377.91025	0.9
379.16141	100.0
470.49060	1.0
699.34918	1.6
774.82520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98101	0.6
59.01371	2.9
59.88447	0.5
67.01880	1.6
71.01374	1.5
75.44619	0.7
82.38669	0.9
87.00868	4.6
89.02431	3.0
93.03450	21.3
96.96002	1.1
101.02428	0.7
111.04488	5.1
113.02464	0.9
115.03991	1.2
132.06763	0.8
134.03761	1.4
143.43706	0.8
144.61958	0.8
173.04565	11.2
179.05664	1.6
191.05624	100.0
192.05991	4.3
193.04842	5.4
250.96538	0.8
367.10367	58.1
368.10632	1.2
369.10809	3.6
391.15988	1.8
489.56140	0.8
508.19635	0.8
548.08337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
71.01367	1.9
72.99300	58.4
97.76855	1.1
112.00421	1.1
113.02411	1.7
123.04510	17.2
135.04517	21.9
151.03923	2.0
174.29623	1.1
179.03499	65.3
197.04556	95.7
206.31828	1.1
254.05240	1.5
270.09128	1.7
301.10623	1.3
449.33871	1.1
715.41541	5.1
759.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
61.79756	0.8
72.99303	65.2
74.47645	0.7
85.96931	0.8
89.02463	1.1
100.53805	0.8
123.04511	14.5
128.93158	0.9
134.03833	0.9
135.04518	24.1
151.04056	0.8
179.03497	65.0
191.05702	1.0
197.04567	73.3
341.08810	1.0
408.52457	0.8
417.25000	1.5
503.84882	1.0
759.34528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87552	0.8
58.40226	0.9
59.01101	1.7
59.01384	31.7
60.49331	0.8
61.26545	0.9
62.69915	0.9
70.60443	0.9
71.01377	15.4
72.88610	0.9
73.02928	1.2
85.02938	4.4
89.02448	20.0
89.48973	1.1
101.02438	10.3
102.23687	1.0
107.46541	1.3
110.89752	0.9
113.02468	7.9
119.03498	6.2
121.48391	1.0
125.81673	0.9
153.82587	0.9
163.11301	6.1
181.10870	2.1
181.12360	31.2
181.65923	1.1
195.13911	4.6
207.10252	1.9
225.11392	18.3
239.12947	2.2
286.72391	1.1
299.19070	1.4
323.53815	1.6
485.60294	1.3
579.31934	21.2
759.38300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28270	1.1
54.67887	1.3
61.95489	1.3
61.98832	100.0
117.76859	1.5
117.78423	1.3
129.11064	1.5
133.07721	1.8
274.90250	1.6
326.52051	1.8
563.81244	1.7
641.51776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
67.01903	0.9
71.01408	0.9
73.67400	0.9
85.67065	0.7
87.00877	1.3
87.02497	0.8
93.03445	12.9
111.04508	4.7
134.03711	3.4
149.06102	1.9
151.04070	1.1
152.44220	0.9
155.03436	1.1
173.04539	10.4
177.21329	0.9
191.05627	100.0
193.05063	9.5
245.85002	0.9
352.10678	0.9
366.09308	4.1
367.10379	54.5
572.66138	0.9
700.20746	6.0
750.59265	1.0
760.22369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
81.03456	1.9
83.05024	4.4
93.03462	4.1
109.02927	1.3
111.00862	9.7
111.04511	41.5
127.04008	100.0
134.03723	3.8
137.02451	6.9
155.03510	71.8
158.31030	0.8
163.03911	1.3
173.04684	0.9
191.05693	6.8
193.05072	10.1
199.02492	63.2
217.03627	1.2
297.18527	0.7
306.89630	0.9
307.97369	0.8
317.11041	0.8
337.09604	1.0
367.10349	4.3
375.13025	1.9
393.08295	29.0
393.13116	1.3
467.65860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
81.03456	1.9
83.05024	4.4
93.03462	4.1
109.02927	1.3
111.00862	9.7
111.04511	41.5
127.04008	100.0
134.03723	3.8
137.02451	6.9
155.03510	71.8
158.31030	0.8
163.03911	1.3
173.04684	0.9
191.05693	6.8
193.05072	10.1
199.02492	63.2
217.03627	1.2
297.18527	0.7
306.89630	0.9
307.97369	0.8
317.11041	0.8
337.09604	1.0
367.10349	4.3
375.13025	1.9
393.08295	29.0
393.13116	1.3
467.65860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05215	0.6
56.74068	0.6
59.01384	1.0
63.62648	0.7
64.81882	0.6
72.99300	7.0
81.03442	1.0
83.05012	8.4
111.04508	16.3
115.03975	4.7
127.04003	58.3
129.05569	5.8
131.88560	0.7
137.02400	3.5
155.03502	69.9
161.95393	0.7
171.02972	3.0
189.04108	1.0
191.05676	2.2
199.02495	52.7
217.03537	100.0
219.99437	0.6
246.63602	0.9
299.49097	0.7
336.37845	0.7
392.54996	0.8
466.09656	0.9
622.37390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83522	0.4
68.83333	0.4
71.01389	0.5
82.58311	0.4
93.03455	2.6
94.83173	0.4
111.04482	2.0
119.05013	28.2
137.02425	1.6
143.43681	0.4
155.03481	3.7
163.04010	100.0
173.04544	36.9
191.05624	7.7
249.93845	0.5
269.16168	0.4
280.39798	0.4
337.09338	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
67.01873	0.5
71.01393	1.1
86.85256	0.5
93.03455	7.9
96.95977	0.6
111.04539	2.0
119.05024	8.2
137.02481	5.0
155.03500	3.0
163.02647	0.9
163.04007	26.4
173.04559	100.0
191.05658	3.5
337.09354	49.6
353.08871	0.7
378.40515	0.5
512.58374	0.6
695.65717	0.6
747.56750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
59.28108	1.3
60.83717	1.2
71.01374	1.8
72.99305	63.1
73.02910	1.4
78.82096	1.3
101.02407	1.7
123.03658	1.7
123.04519	44.0
135.03658	1.6
135.04538	35.8
150.03203	19.4
151.03979	13.8
163.04007	5.6
164.04770	1.6
165.05563	12.6
176.01048	2.3
179.03505	60.7
191.03497	19.3
193.39960	1.2
197.02913	2.5
197.04573	48.7
205.05020	3.2
209.04446	7.1
211.06177	15.1
223.06010	1.9
241.14430	1.7
267.64059	1.4
308.05640	1.6
323.07712	1.8
338.10263	1.8
353.08508	5.9
399.93170	1.4
563.13721	8.5
565.15369	7.9
619.16229	1.8
663.25275	1.6
743.21582	2.9
761.22729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51926	2.0
54.38104	1.7
56.97112	1.9
59.01389	2.4
71.01383	2.0
72.79434	2.1
82.21698	2.1
96.96004	2.2
101.02388	2.1
108.02173	25.3
109.02962	14.5
110.70461	2.1
113.44727	2.3
139.17429	2.2
152.01151	67.6
153.01929	17.5
164.04683	4.5
166.02725	4.8
176.01137	5.0
177.01866	2.2
181.01366	2.3
190.02765	8.7
191.03535	17.8
191.05452	3.1
194.02328	2.2
198.10262	2.0
200.01712	2.1
205.05038	23.3
209.04521	5.1
223.06111	2.3
240.09734	2.1
315.07147	3.0
343.21255	4.8
402.66110	2.9
521.12848	2.7
662.77118	2.3
761.22906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77015	0.6
54.27041	0.7
57.49532	0.7
59.01371	3.2
66.58560	0.7
71.01374	1.5
71.34644	0.7
72.99302	47.9
74.65585	0.7
89.02415	6.9
99.00870	3.5
100.25381	0.7
101.02427	1.1
119.04914	0.8
123.04523	22.3
131.03462	1.1
135.04527	27.3
137.06026	1.0
149.04532	1.6
149.54201	0.9
179.03491	57.8
191.05606	1.6
191.07141	1.0
197.04561	100.0
215.05444	0.9
277.58188	0.9
563.19818	27.8
611.73145	0.9
761.24091	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75374	0.7
62.45476	0.7
63.86425	0.7
66.20116	0.7
71.01372	1.3
72.99304	47.4
74.60776	0.9
80.41330	0.8
85.02977	1.1
93.77822	0.8
98.59432	0.9
101.02438	4.2
107.62016	0.8
113.02435	0.8
123.04507	24.2
135.04532	29.4
151.03984	1.5
156.31018	1.0
165.05611	1.2
179.03496	48.1
194.79921	0.9
197.04562	100.0
215.05717	1.0
236.52414	0.9
269.10291	1.8
296.37909	0.9
446.58652	1.0
491.19244	1.6
539.21362	2.0
563.19843	17.5
761.24573	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02641	1.7
59.01378	5.0
71.01378	2.7
89.02399	2.0
92.22587	3.0
96.95998	12.0
101.02418	3.5
123.04514	2.3
135.04529	2.5
149.02406	3.5
149.06104	3.8
150.03186	38.2
151.03996	3.8
164.04822	13.0
165.05554	84.2
174.20523	2.2
175.03938	3.2
178.02585	2.2
179.07138	10.9
190.02713	9.6
193.05042	13.7
195.06631	14.5
205.05058	26.0
223.06030	5.1
231.15926	3.9
265.07404	3.7
289.07263	2.1
313.10663	2.2
330.05115	2.3
333.13809	2.7
341.10376	4.1
355.08041	5.0
358.10458	4.0
364.07626	2.7
367.11575	3.0
369.09323	3.2
370.10574	16.4
371.11316	5.3
372.12393	3.2
373.12991	19.0
385.13278	3.0
461.16428	2.7
500.03961	2.4
521.18176	3.0
535.19299	3.1
538.97662	2.8
565.19238	33.3
599.21381	100.0
641.22607	9.4
674.74005	2.5
701.24188	2.5
761.26794	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61618	1.3
59.01384	17.9
59.03345	1.3
62.96190	1.2
68.99818	11.3
71.01379	10.4
71.12997	1.1
73.02921	1.7
74.34310	1.3
78.28328	1.4
78.46982	1.1
80.97418	1.3
85.02929	2.5
87.51924	1.4
89.02417	5.2
101.02406	7.8
108.02158	9.1
113.02441	1.9
115.03966	5.8
119.03436	5.1
123.00857	1.8
123.04495	19.8
135.04507	1.8
149.02383	3.2
150.03149	6.6
161.02371	2.0
162.03201	2.4
163.04083	9.3
164.04785	12.8
166.02667	2.6
177.05556	22.9
178.02708	22.1
178.06357	1.9
179.03526	1.4
183.06599	1.8
190.02722	35.4
192.78078	1.2
193.05063	35.4
204.33537	1.6
205.05058	100.0
205.85915	1.4
207.02948	2.4
222.05386	1.9
223.06050	14.0
232.40543	1.3
339.05078	3.0
354.07349	5.0
369.09689	3.3
371.75110	1.4
399.10806	2.5
419.91171	1.6
469.17435	15.1
545.14130	1.7
567.20300	1.8
633.21503	1.7
663.22955	55.4
690.18689	1.6
761.26251	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
63.56739	1.0
66.82880	0.9
71.01385	8.4
76.98264	1.1
79.19461	0.9
82.46126	1.3
85.05025	1.2
89.02425	7.4
101.02430	5.8
113.02429	5.3
118.50986	1.1
119.03446	1.9
134.03662	1.8
135.04512	12.7
137.39481	1.2
149.02428	5.9
149.06013	1.2
150.03185	7.3
151.03944	1.3
152.01135	1.6
153.01894	2.2
153.05452	1.5
163.04019	1.6
164.04848	11.9
165.05502	4.7
175.00368	2.4
176.01160	31.0
177.01913	3.0
179.07071	3.0
190.02728	32.6
191.03519	93.7
194.02112	1.8
195.03036	2.0
199.49257	1.3
205.05080	68.4
207.06572	1.2
208.03793	2.5
209.04568	13.9
221.08209	7.1
223.06071	11.4
237.03973	1.9
250.04959	1.6
251.05540	6.0
265.07159	8.0
281.06686	1.4
297.06296	3.9
311.07840	2.2
315.10883	5.4
333.20547	1.2
520.15979	5.4
521.16711	100.0
761.26532	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
60.69809	1.5
61.35597	1.3
85.02944	1.8
87.00905	3.2
96.96032	2.3
101.02448	3.3
117.03464	6.8
123.04439	2.2
133.02945	1.8
134.03743	30.2
135.04512	2.3
140.05673	1.6
141.83554	1.7
144.64276	1.8
145.02969	38.3
146.03781	3.7
147.04524	11.6
148.05307	6.4
149.06073	23.7
151.04053	2.0
160.01651	22.4
161.02444	37.5
162.03232	54.8
162.04520	2.9
163.03993	3.0
175.04016	72.4
176.04796	24.9
177.05605	17.6
178.02728	8.3
191.07158	62.4
192.04372	3.1
193.05086	67.7
195.06679	2.9
206.05841	2.7
207.06665	3.9
220.03767	9.9
235.06128	100.0
265.07205	11.0
295.08224	29.6
324.77536	1.8
403.14105	15.9
445.15234	2.5
533.16736	82.1
551.17761	20.3
584.65643	2.1
743.25665	33.4
761.26868	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00588	1.1
67.78869	1.1
68.75833	1.3
95.05463	1.2
96.96034	1.8
110.61274	1.2
117.71989	1.2
128.36142	1.4
197.11792	1.6
207.14792	1.3
215.12805	2.8
219.23413	1.4
225.05569	4.7
240.04297	4.8
240.07909	17.3
241.05084	10.0
255.06659	94.9
256.07431	17.4
264.91385	1.3
270.08990	100.0
271.09747	23.1
289.16705	2.1
301.10831	88.3
342.11017	1.7
357.13412	2.2
482.64035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20638	0.4
57.10711	0.3
59.01374	0.4
62.63057	0.3
62.97565	0.3
67.01877	0.8
67.81196	0.3
71.01376	1.8
83.05027	0.5
93.03458	10.6
94.03815	0.3
97.58369	0.3
111.04522	3.3
134.03737	9.2
137.02431	4.5
149.06070	2.3
155.03497	5.4
167.84802	0.4
169.20319	0.4
173.04552	100.0
174.04901	4.8
191.05571	3.0
193.05057	17.8
194.05476	0.7
291.62457	0.4
367.10370	45.3
368.10681	4.8
370.50574	0.4
518.13141	0.4
537.30273	0.4
538.11853	0.4
659.38293	0.5
765.29492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
60.99302	0.7
64.43446	0.3
65.40502	0.3
66.06834	0.3
67.01871	0.9
71.01389	0.8
77.18137	0.3
77.21985	0.3
78.97352	0.3
85.02925	0.5
87.00869	5.1
88.38763	0.4
93.03449	19.4
107.36163	0.4
111.04494	4.6
122.83425	0.4
129.01935	0.8
131.93849	0.4
134.03740	2.1
149.06065	0.6
155.03487	0.7
173.04552	10.7
175.04021	0.5
185.05296	0.4
191.05626	100.0
193.05031	7.8
202.70488	0.4
301.07043	0.4
367.10364	64.4
374.96497	0.5
392.77942	0.4
410.81320	0.4
458.17819	0.5
506.40567	0.5
648.96967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
70.17141	0.2
72.00899	0.6
73.02943	1.4
74.02483	1.1
85.02975	0.3
90.61588	0.2
101.02437	8.8
104.93649	0.3
116.05048	6.8
142.06615	2.1
159.09276	4.0
161.04550	0.5
183.09285	2.1
186.05679	0.4
203.08282	100.0
215.08360	0.3
225.10272	0.3
245.09355	2.5
275.10397	16.4
287.10306	1.0
305.11331	1.1
317.11453	1.4
347.12466	0.3
365.13596	16.4
503.61099	0.3
687.60608	0.3
724.11176	0.3
748.34259	0.3
761.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	4.9
73.19177	2.3
74.51540	2.1
85.02956	3.4
101.02435	11.1
104.39744	2.4
113.02471	4.0
125.09747	3.0
147.04506	5.2
149.02417	24.3
161.04544	3.7
163.77681	2.2
164.04807	79.1
179.07164	9.8
190.02757	11.0
205.05096	19.3
208.01797	2.5
208.03790	13.6
223.06120	74.2
223.08275	3.3
264.38110	2.6
353.81268	2.5
468.82626	2.6
537.25751	3.9
620.55072	3.1
761.32166	100.0
785.09186	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
57.81600	1.4
59.01386	1.5
59.30637	1.4
61.98829	1.2
63.38553	1.4
63.46897	1.3
71.01376	3.1
71.05014	2.2
73.34140	1.4
79.05548	2.3
96.41546	1.4
97.06576	11.4
101.02431	2.0
109.06565	1.5
113.02433	3.2
123.08147	6.2
125.09723	12.8
135.08157	76.4
151.11270	2.9
161.04591	2.4
163.11351	1.6
183.13872	3.1
185.11769	2.3
205.15997	8.0
211.13354	3.5
235.17096	12.0
249.14996	56.4
259.17117	2.6
275.20218	18.2
292.02646	1.7
293.21234	65.8
293.24472	2.2
305.17621	100.0
347.21890	2.1
422.36560	1.6
522.28149	1.8
565.53278	1.6
724.94867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
69.56729	0.3
71.01389	0.5
71.05025	0.6
73.02922	0.4
73.38176	0.3
78.98639	0.3
80.91063	0.3
83.05025	0.4
85.02953	0.8
87.04519	0.5
89.02450	0.4
95.05008	1.6
97.06554	0.5
109.06595	0.4
113.02337	0.3
113.06084	0.7
123.08135	1.4
129.85796	0.4
167.63313	0.4
171.10304	5.1
185.11902	1.5
187.09796	0.4
197.11696	0.6
201.11363	1.5
209.11841	2.6
211.13440	3.9
229.14453	10.7
237.14958	0.8
239.12971	0.4
249.14920	2.1
267.15970	1.6
289.18167	1.6
307.19101	2.7
325.20288	4.9
343.21283	100.0
389.40295	0.5
761.29047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60272	1.6
58.73323	1.5
59.01377	14.8
71.01379	9.6
71.56227	1.5
84.19657	1.6
84.46152	1.6
85.02945	10.8
89.02446	11.0
101.02435	7.3
113.02440	25.7
119.03480	2.7
134.32584	1.5
149.02368	3.1
164.04796	40.1
173.04489	2.1
178.06361	2.2
179.07141	21.6
190.02654	13.2
191.02032	1.9
191.05598	3.2
205.03505	2.3
205.05070	79.4
206.05862	20.9
208.03844	7.4
221.08202	44.7
223.06134	89.1
223.08322	3.6
232.03709	1.9
237.07645	3.7
247.06114	3.0
250.04810	10.7
260.61383	1.9
265.07184	77.9
295.08282	36.6
325.09372	49.4
367.10303	3.0
376.09180	2.3
385.11487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56274	1.0
58.04707	1.0
59.01385	2.4
61.74596	1.2
65.30802	1.2
77.08569	1.0
311.22238	2.6
425.43021	1.5
508.24500	1.7
572.08844	1.6
599.10968	1.4
645.11365	2.4
656.10889	2.4
658.12000	1.8
659.13177	5.3
671.12915	3.0
673.11218	2.8
687.12781	1.9
688.13416	8.5
703.15869	100.0
758.30096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41124	0.4
59.01379	0.8
62.09253	0.5
75.49281	0.6
78.95902	56.1
89.02460	1.1
96.96054	8.4
96.96956	100.0
101.02437	0.9
113.02472	0.9
131.40485	0.6
138.97987	0.6
150.98036	1.0
221.06654	0.7
223.67087	0.6
225.23489	0.5
241.01196	4.6
259.02286	16.5
260.96002	0.6
383.11804	2.2
393.00836	0.7
421.07556	9.7
442.70929	0.5
444.77661	0.5
483.59158	0.6
665.21289	3.2
763.19189	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
77.90896	0.5
78.95901	68.2
79.59660	0.5
89.02435	1.3
89.38115	0.5
92.05685	0.5
96.96954	94.3
115.06004	0.6
122.78728	0.6
127.24036	0.5
138.98022	3.1
146.87874	0.6
150.98024	13.7
180.01868	0.6
199.00168	0.6
204.99103	0.9
223.00188	5.5
223.01997	0.6
225.79820	0.6
241.01190	32.4
259.02246	20.9
302.46088	0.6
341.60419	0.6
421.07590	100.0
451.16150	0.6
650.79895	0.6
665.21558	1.3
671.23041	0.6
763.19153	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53899	0.5
59.01388	0.8
68.10609	0.4
73.62843	0.4
76.72250	0.4
87.00867	100.0
92.23219	0.5
92.34425	0.4
106.83883	0.4
116.87205	0.5
153.95992	0.6
162.62430	0.4
200.67879	0.5
268.03638	0.5
283.06134	2.8
330.56839	0.5
360.62616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14143	0.7
57.03456	1.0
59.01380	0.9
67.01906	0.9
71.01382	1.8
79.28954	0.6
84.13667	0.7
85.99264	0.7
93.03458	13.4
111.04529	5.1
113.02443	3.5
117.03522	0.7
134.03751	8.8
134.91264	0.6
137.02444	5.6
149.06024	1.7
155.03491	3.6
173.04553	100.0
191.05621	9.9
193.05072	18.3
211.07664	7.3
253.27727	0.8
299.52478	0.9
367.10394	49.2
553.27075	0.9
655.95972	0.8
763.11871	0.8
763.23438	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.3
59.01383	5.1
71.01366	1.5
73.44010	1.1
83.18668	0.9
85.02950	100.0
93.03424	1.2
101.02399	1.5
103.00381	0.9
111.00840	4.2
129.01959	4.9
134.03749	2.2
135.50182	1.1
147.02979	6.6
159.83592	1.2
185.37437	1.0
191.01981	34.1
191.05641	1.3
193.05069	6.1
203.08279	5.0
209.02992	6.1
228.96300	1.1
247.52332	1.2
367.07056	1.6
385.07828	44.4
455.65720	1.2
522.50507	1.2
633.60577	1.2
763.26385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
71.01383	2.2
84.02536	0.5
84.53314	0.4
85.02984	0.5
85.69844	0.5
87.00873	1.0
93.03438	9.4
94.25581	0.6
111.00833	0.6
111.04510	2.7
115.00368	1.0
116.27625	0.5
119.05018	13.6
137.02446	3.4
143.05051	0.6
145.02960	1.2
145.06587	0.8
150.45248	0.5
152.23357	0.5
155.03502	4.9
163.04008	16.4
173.04550	100.0
191.05627	61.4
211.07657	12.7
226.06297	1.1
237.09161	0.9
241.08734	3.3
261.23288	0.6
265.08713	3.1
337.09351	62.1
454.68256	0.6
589.19324	3.4
763.24628	14.3
774.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01399	0.8
66.59553	0.6
67.01871	0.7
71.01387	3.2
72.06638	0.4
87.00890	2.2
90.29402	0.5
92.23172	1.1
93.03446	14.2
111.00831	1.0
111.04469	3.9
119.05005	7.2
131.73424	0.6
137.02429	3.5
148.99643	0.5
155.03516	4.5
163.04008	20.3
173.04552	100.0
191.04004	1.0
191.05644	22.4
193.05058	2.2
211.07649	15.6
217.99361	0.6
223.07787	0.6
234.38997	0.6
237.09074	0.8
265.08673	2.5
294.85672	0.5
337.09363	48.0
348.42761	0.6
367.10474	6.9
508.17343	0.6
543.55280	0.6
589.19360	0.9
763.24554	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36835	1.4
59.01384	3.7
61.16278	1.5
71.01385	9.9
72.99324	3.4
73.02972	1.8
78.18008	1.7
82.15671	1.6
87.00859	1.8
92.25811	1.7
101.02445	2.8
113.02396	2.5
115.47937	2.0
139.00388	3.0
149.02437	8.8
150.03223	2.7
153.01945	52.0
154.02736	20.2
164.04778	13.9
165.01945	18.4
165.05566	7.1
168.04300	27.9
169.05090	15.0
176.01186	3.9
179.03500	8.3
179.07092	3.2
180.04301	33.6
190.02734	23.8
191.03558	22.0
193.05122	7.3
194.02171	2.4
194.05879	3.0
195.06667	28.2
197.04521	7.8
205.05081	67.3
208.03917	7.3
209.04559	10.1
209.08203	2.3
210.05331	6.9
223.06142	18.2
225.07776	12.4
251.09315	2.1
277.07123	1.8
288.49481	2.0
320.25183	2.0
353.08713	2.6
357.09006	1.8
367.10367	3.9
536.15265	2.6
537.16229	100.0
541.22668	4.3
591.17212	3.9
593.18719	1.8
715.22705	13.4
763.24139	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	64.0
71.01382	25.9
76.28668	1.2
82.31602	1.2
85.02965	5.3
89.02434	49.0
93.09966	1.2
95.01349	1.4
97.02927	1.9
98.91936	1.1
101.02441	28.4
113.02447	16.1
115.04008	22.9
119.03496	21.6
164.04805	9.3
173.04590	5.2
179.05609	4.8
179.07152	2.8
190.02725	27.1
198.70641	1.2
205.05070	100.0
208.03812	8.1
221.08215	1.5
223.06088	18.8
247.06047	1.7
279.07733	2.2
279.10870	67.7
311.79181	1.3
377.14578	83.6
385.11441	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.65497	0.5
71.01381	4.6
73.02941	1.2
78.77045	0.5
84.69825	0.6
85.02942	2.5
95.90125	0.6
96.18503	0.5
99.00885	0.6
101.02436	3.2
113.02432	2.7
141.90625	0.5
159.02962	0.7
161.04564	5.2
167.89937	0.5
271.09760	1.1
383.14978	0.8
433.14993	0.8
605.22284	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41685	0.3
69.91952	0.3
71.15570	0.3
71.38302	0.3
128.64920	0.4
155.88145	0.3
171.10263	5.2
190.51294	0.3
222.11089	0.4
268.03790	17.5
283.06137	100.0
340.13425	0.4
364.16794	0.4
375.87982	0.4
501.24814	0.4
591.17438	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69486	0.9
54.97300	1.0
59.01381	100.0
71.01380	8.5
81.92288	1.0
82.43295	1.0
83.01360	1.2
85.02950	2.1
89.02421	5.6
96.96049	1.2
101.02443	7.3
113.02431	4.8
126.80782	1.1
154.01433	1.3
161.04526	6.7
200.08482	1.3
458.13669	1.1
529.10284	1.4
621.32800	1.9
643.24127	21.4
643.72894	1.4
681.33582	1.5
703.26233	6.6
730.06378	1.3
763.36798	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63205	1.0
59.01384	18.8
60.49079	1.0
61.96714	0.9
71.01367	8.9
72.01059	1.0
72.99312	2.1
85.02914	1.8
89.02454	8.4
101.02454	9.8
110.71188	1.1
113.02438	5.6
115.04005	4.6
119.03446	1.7
121.02937	1.2
122.03719	4.4
133.02951	1.2
135.04524	2.4
149.02467	10.8
150.03232	42.0
163.04012	6.2
164.04788	16.9
165.04230	2.4
165.05566	57.1
166.02682	1.7
175.00224	1.4
177.05667	1.7
178.06308	2.2
179.07153	1.5
179.91635	1.3
180.04269	4.6
183.06657	1.3
190.02748	39.7
195.06602	11.2
205.05080	100.0
207.02914	1.2
209.28181	1.1
215.07201	1.1
222.05359	2.0
223.06110	14.3
273.24094	1.0
280.07477	1.3
290.00702	1.1
371.11316	2.3
469.17206	72.2
567.21393	1.9
617.22040	4.1
647.23743	1.5
665.24603	80.0
763.34967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2976
Annotation	13'-Acetylshizukaol C
Peak:m/z	Relative Intensity
71.01387	3.9
101.02451	4.2
115.10027	3.9
129.01917	4.9
149.02414	5.8
150.03207	64.9
153.87781	4.1
164.04823	6.3
165.05568	100.0
168.66100	4.3
180.04271	7.5
193.59415	4.3
194.05833	4.9
195.06610	17.4
208.07410	6.4
281.08444	4.3
283.06149	7.2
283.09378	4.0
294.50146	4.2
295.06064	8.4
298.08392	17.2
310.08798	6.2
311.09189	6.0
325.10718	6.5
341.10251	17.0
343.11819	9.0
344.12692	19.2
359.15131	8.3
369.60526	4.2
450.94363	4.4
503.17194	5.1
519.20862	5.0
549.20862	5.1
685.26563	6.6
697.26672	9.4
715.28638	12.3
733.28931	66.0
745.29083	59.1
763.29614	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90599	1.1
57.86526	1.1
59.01379	4.7
61.43583	0.9
62.73171	1.1
71.01366	1.9
71.52811	0.9
79.10438	0.9
83.04453	1.1
85.02973	1.2
89.02451	1.7
101.02416	2.8
113.02425	2.0
128.23724	1.1
129.82907	1.1
129.83878	1.1
144.46860	1.2
149.02437	1.6
152.01161	1.6
163.03899	1.5
164.04810	10.5
165.01941	32.7
175.00362	2.6
179.03470	8.8
179.07149	2.2
180.02731	2.4
180.04303	64.9
190.02740	35.6
194.05797	5.6
195.02979	2.2
195.04831	2.1
195.06650	88.4
205.05086	98.6
210.05362	19.3
223.06117	10.4
225.05583	2.1
225.07677	29.0
245.81619	1.3
254.82886	1.1
342.11331	1.8
399.34689	1.3
401.12338	2.1
507.18732	1.4
522.20856	2.4
537.23505	83.6
715.30194	1.9
763.31952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.6
70.89491	0.5
75.57375	0.5
76.76958	0.5
81.50703	0.6
87.00871	100.0
89.02462	0.6
155.40884	0.7
209.63499	0.5
277.21671	1.0
281.16797	0.7
287.50644	0.6
331.32809	0.6
397.13498	1.3
410.32306	0.6
562.44305	0.6
675.35748	1.2
763.37372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82089	1.0
59.62517	1.1
60.60801	1.2
78.95918	1.5
86.71492	1.3
87.00867	100.0
191.99519	1.2
207.83939	1.2
210.03876	1.2
397.13715	1.9
763.37897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.7
60.67995	0.5
71.01392	3.9
85.02956	0.8
89.02439	2.7
89.14931	0.5
101.02447	1.5
113.02454	1.1
129.14690	0.5
131.23758	0.5
161.04497	2.1
190.68141	0.7
217.12289	1.1
224.66324	0.7
227.10812	0.9
228.11600	4.0
240.11456	1.0
241.12392	0.8
253.16016	1.3
256.14691	3.1
266.26340	0.6
270.16260	6.7
271.17096	15.2
272.17859	0.7
283.17117	1.1
324.20734	1.0
325.21750	3.8
326.22632	4.1
339.23331	12.6
351.23407	2.8
352.24307	1.4
356.87338	0.7
368.23550	0.9
377.28568	17.3
394.28827	100.0
395.29611	38.3
414.15567	0.7
420.21780	0.8
488.27734	0.9
557.34918	62.0
642.15118	0.8
763.39270	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46394	0.6
59.01385	4.2
71.01382	2.0
78.95921	1.5
89.02478	1.0
101.02425	1.0
149.06094	3.6
160.05290	4.4
161.04587	1.2
173.06100	1.1
186.06769	0.8
188.08423	3.1
202.10040	12.1
203.10843	1.0
235.63391	0.9
256.14706	6.3
258.16254	6.4
271.17081	20.3
272.17599	1.4
273.18539	1.5
283.17093	4.0
289.13495	1.0
300.17282	1.8
325.21820	5.7
326.22476	6.2
377.28540	6.9
394.28818	100.0
395.25726	0.9
395.29581	36.5
557.34955	59.2
763.39215	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.09938	1.1
71.01384	25.9
72.41543	1.1
85.02956	5.1
89.02441	37.0
95.01376	1.3
99.70086	1.2
101.02458	14.8
113.02444	16.7
119.03496	15.1
143.03490	4.9
144.00020	1.1
150.46802	1.1
153.09221	2.3
161.04549	6.2
173.85507	1.2
179.05627	19.2
235.98120	1.4
344.58127	1.2
445.20673	5.4
542.66077	1.6
704.26862	2.0
764.27991	2.7
775.34924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95700	0.7
59.01387	1.6
60.06324	0.7
64.44115	0.7
69.03622	0.7
78.64413	1.1
79.95741	70.9
80.96519	10.0
82.73444	1.0
83.52238	0.7
89.42619	0.8
95.95221	8.7
96.96005	100.0
102.07816	0.8
102.81699	0.9
109.96734	1.1
122.97594	9.4
141.95734	1.1
149.02417	5.5
152.01147	3.4
163.04085	1.0
164.03729	0.9
164.04800	12.7
166.02745	1.5
167.03398	1.2
179.03444	1.9
179.07083	4.2
180.56569	1.0
181.05063	3.2
182.60121	0.9
187.57401	1.0
193.01474	4.7
194.05826	6.9
208.01892	1.9
208.03787	37.3
223.06143	26.3
267.00195	1.0
302.03989	1.3
304.02750	1.1
317.06659	4.0
317.19760	1.4
364.43744	1.2
417.66504	1.0
528.09491	16.8
541.10297	30.7
544.32898	1.0
765.17102	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.3
60.99315	11.7
87.00883	11.2
88.00395	3.7
88.01208	1.5
88.98801	100.0
89.02438	45.3
107.81180	0.9
117.65345	1.0
147.17809	0.9
212.98132	0.9
256.90543	0.9
268.03864	1.9
283.06158	10.4
295.22656	1.1
339.56009	1.0
373.91113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12967	2.7
73.03016	2.6
77.13921	3.0
87.04535	4.4
93.34696	3.2
113.03563	4.2
114.01919	4.4
117.03454	30.3
120.04522	4.7
127.86827	3.3
129.47269	3.1
131.03502	14.6
131.04619	17.2
188.03580	14.0
191.03532	14.5
192.03064	4.2
204.03032	3.6
206.04591	33.4
250.96539	2.9
265.05099	5.4
279.05197	3.9
280.06262	5.4
283.06207	15.4
294.07785	7.0
304.75671	3.3
306.03998	3.9
308.05704	100.0
323.07999	34.1
338.06741	7.3
338.10382	94.3
339.08765	6.4
354.09821	40.0
382.09274	63.5
742.91516	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87641	0.5
60.99308	0.8
67.01878	1.4
83.05013	0.7
85.02946	1.2
85.07645	0.6
87.00855	5.1
93.03445	21.8
93.60543	0.6
96.95999	6.4
103.88449	0.6
111.04536	5.5
129.01949	1.0
134.03664	1.0
155.03471	0.9
173.04552	10.4
175.03973	0.9
190.10013	6.8
191.05621	100.0
193.05066	3.6
223.06116	3.6
367.10367	31.6
397.11151	21.6
397.15103	2.6
493.53278	0.8
597.08661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74100	0.3
72.99304	30.1
76.13447	0.3
78.95927	0.5
88.05173	0.3
90.03388	0.4
92.22505	0.8
96.96949	0.4
104.44477	0.4
123.04500	6.2
135.04521	6.4
145.32489	0.4
155.09808	0.3
179.03503	37.5
197.04570	100.0
352.86267	0.4
359.09882	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56810	0.2
68.02994	0.4
70.84859	0.3
72.99298	30.5
109.02945	0.4
123.04514	5.6
126.02333	0.3
135.04535	7.2
143.04579	0.4
179.03496	35.1
197.04558	100.0
215.05588	0.4
272.84772	0.4
359.09866	74.3
360.10095	0.4
404.11487	0.6
405.11469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16092	0.5
57.03431	1.3
59.01385	6.7
60.20663	0.5
71.01362	1.6
72.99300	25.3
78.44539	0.5
89.02442	0.8
89.47749	0.6
92.22509	0.7
96.84385	0.7
96.95977	0.6
99.04540	1.0
101.02431	1.6
103.36172	0.6
123.04508	7.3
125.02421	1.3
133.01381	1.3
135.04506	10.5
139.07675	10.3
160.36058	0.6
168.07864	0.9
179.03497	31.8
181.05038	1.4
182.05936	0.7
187.11229	0.7
197.04562	100.0
205.12355	4.8
208.56812	0.8
341.08743	1.1
359.09885	7.4
401.10742	1.5
466.53351	0.7
503.14020	5.7
645.10992	0.8
765.26044	71.2
776.43970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
64.42374	0.6
70.72228	0.5
76.60992	0.5
95.02550	0.5
96.09132	0.5
98.56211	0.5
106.31847	0.5
118.28103	0.7
119.05016	45.9
135.04520	0.8
142.96306	0.6
149.02428	0.9
150.03227	8.1
160.91316	0.6
163.04008	100.0
164.04785	2.6
165.01848	0.8
165.05562	29.2
180.04268	8.6
195.06638	39.9
243.08701	1.0
249.87209	0.5
291.94952	0.6
301.07162	1.2
315.08917	0.7
316.09137	0.9
317.54410	0.6
325.09366	17.4
331.11801	8.0
391.13812	3.7
439.16187	42.1
553.31219	0.6
563.62134	0.7
711.37653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
60.99298	0.8
63.51890	0.3
67.01887	1.5
67.49857	0.3
71.01381	4.0
73.01311	0.3
73.02943	0.4
85.02950	2.2
87.00863	6.0
89.02450	0.5
93.03446	21.9
99.00831	0.6
99.04511	0.3
101.02422	2.2
111.04521	4.6
113.02419	2.2
117.62786	0.3
129.01888	1.3
134.03717	1.9
135.04524	7.0
136.05318	0.5
143.03490	0.7
148.05247	0.4
149.06113	0.5
155.03481	0.8
160.01628	0.4
161.04588	3.4
164.04764	3.1
173.04533	11.1
173.09714	2.6
175.03949	0.7
177.09193	0.4
189.09206	1.5
190.10004	55.1
191.05624	100.0
191.10773	24.0
193.05075	7.3
200.00186	0.3
203.10794	0.8
215.10892	0.8
233.11826	3.0
245.11810	2.6
353.16098	5.5
367.10364	48.8
396.92908	0.3
397.15073	40.8
403.19894	0.4
596.66547	0.4
743.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
71.01385	0.9
74.94782	0.9
79.90845	0.8
87.00867	26.2
96.95974	1.4
99.46385	1.0
101.02399	1.2
113.02438	1.2
115.03952	1.1
115.34835	1.0
162.03229	1.3
165.15094	1.0
166.02724	20.4
179.07190	1.2
181.05074	100.0
187.09708	1.4
197.04460	1.4
202.71866	1.0
205.08661	1.8
329.36847	1.0
387.10861	13.4
402.13214	18.3
413.12112	1.2
417.15610	25.1
505.17181	13.9
653.62567	1.2
667.22504	12.5
749.00171	1.2
765.26013	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56023	1.0
59.01363	1.0
63.76627	1.2
68.91551	1.1
77.08755	1.1
90.86236	1.2
103.74215	1.1
119.66208	1.2
134.03671	1.7
135.04512	6.8
148.05292	21.5
153.52837	1.1
176.03477	2.4
177.04256	2.9
178.05077	25.8
185.02992	1.4
190.05151	2.6
191.05667	1.3
295.77197	1.2
297.10104	24.5
312.12445	100.0
477.07898	1.2
482.16040	1.4
485.10474	1.4
607.40784	1.4
645.22571	12.9
659.12598	1.3
747.92651	1.4
781.47186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61612	1.4
59.01390	6.7
59.36077	1.3
67.84225	1.4
71.01364	2.7
89.02437	6.2
99.00855	2.5
101.02453	2.7
111.63676	1.7
113.02508	2.3
149.02437	6.3
152.01224	2.7
152.32442	1.9
164.04794	23.7
179.07158	20.1
190.02728	14.6
191.05634	3.0
205.05092	43.3
208.03796	52.0
223.03993	3.4
223.06145	100.0
223.08311	3.8
302.13773	1.7
317.03616	1.8
377.14572	2.7
378.14600	2.4
379.16147	11.7
385.11481	72.0
489.51840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91868	1.3
59.01378	21.6
60.47667	1.6
64.74651	1.5
71.01386	10.9
73.02954	1.7
76.54433	1.7
79.18300	2.0
79.81959	1.6
87.00842	2.9
89.02438	17.6
96.96002	1.9
101.02441	8.5
113.02445	9.5
119.03516	6.8
135.11812	3.8
161.04562	2.3
161.09770	2.3
179.10793	35.2
197.04529	2.3
200.40929	1.9
223.09738	17.9
278.73224	1.9
291.50113	1.8
419.81448	2.0
581.91693	2.1
585.17102	2.5
585.24835	14.9
765.32196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73788	1.5
60.99313	12.2
60.99568	1.2
79.47256	1.2
87.00850	6.8
88.00389	5.2
88.18812	1.3
88.98796	100.0
89.02438	20.6
91.70953	1.5
102.39661	1.2
152.99583	2.3
191.30460	1.3
207.85567	1.4
224.09460	1.7
277.21829	1.7
395.97281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04460	0.7
59.01370	1.0
83.28986	0.8
87.00869	100.0
123.41737	0.7
174.16739	0.7
187.09737	1.0
279.23288	3.3
397.13489	2.9
549.90546	0.8
677.38470	1.2
765.40131	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.4
60.55356	2.9
62.54472	2.9
69.91544	3.3
71.01381	20.5
71.03789	3.0
74.02306	3.3
77.28452	3.3
78.59760	3.2
78.95902	19.9
85.02948	3.7
89.02425	26.6
94.86484	3.5
96.95997	97.1
96.96979	8.1
101.02421	22.8
113.02404	6.4
119.03510	4.1
125.02458	5.3
130.89171	3.4
135.95891	3.3
152.99594	12.5
235.08237	5.0
255.23328	7.4
292.15353	4.1
307.26404	100.0
397.13504	80.1
415.14633	20.5
705.41266	37.8
765.44794	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
60.23406	0.2
70.63422	0.2
71.01371	3.8
73.02950	2.3
83.01405	0.3
83.05011	2.6
85.02934	2.4
87.04497	0.3
89.02446	1.7
92.23117	0.4
95.05013	2.3
97.06568	1.2
99.00868	1.4
101.02431	4.7
106.04226	0.3
113.02443	2.1
113.06101	0.4
115.07627	1.2
119.03482	0.5
123.08142	1.4
125.02426	0.4
135.08217	2.7
143.03625	0.3
153.09233	0.3
155.10776	0.5
155.14435	0.3
161.04572	2.7
163.11288	0.3
165.12842	0.3
171.10283	8.5
181.12315	1.2
183.10240	3.5
185.11819	0.5
197.11827	0.6
199.13426	0.6
201.11340	6.0
209.11855	9.3
211.13406	6.5
221.11931	0.3
227.12756	0.3
229.14447	13.5
237.14912	1.9
249.15013	2.2
251.39214	0.3
255.16031	1.8
259.15488	0.4
267.16113	1.4
273.17059	1.3
285.17108	1.1
289.16348	2.6
307.19052	1.4
325.20212	2.0
343.21280	100.0
421.20868	14.8
425.07672	0.4
757.98572	0.3
782.83221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19508	1.4
58.62870	1.6
59.01382	7.8
69.03477	1.6
69.77024	1.3
71.01379	3.9
71.51938	1.3
76.96144	1.5
83.92043	1.4
92.46619	1.4
99.08168	14.1
101.02441	1.8
111.08180	1.7
113.02442	3.4
116.92856	3.2
119.08630	2.5
121.10242	6.6
137.09688	15.1
155.57256	1.7
171.10297	32.3
185.11887	11.3
198.44167	1.9
209.11835	21.7
221.15659	2.5
223.17023	2.4
225.14984	7.3
239.16452	2.0
251.16478	2.6
275.20309	13.7
291.19687	10.6
293.21252	49.0
308.09360	1.8
309.20752	100.0
317.21387	1.8
329.21136	1.8
349.52225	1.6
765.34912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.4
62.45131	1.0
67.69466	1.0
71.01382	2.7
76.55142	1.1
80.02242	1.1
100.82349	1.1
101.02448	2.4
105.17478	1.2
110.15592	1.1
113.09708	1.3
116.92856	1.2
121.10190	4.3
130.47801	1.0
133.36723	1.3
137.09738	1.7
171.10304	1.8
183.13974	5.2
185.11783	1.3
195.13922	9.4
207.14001	1.5
207.17564	5.1
211.13339	1.4
221.15378	2.6
223.17043	19.9
233.15474	13.9
235.17162	1.5
251.16522	54.4
273.18845	1.4
275.20227	9.7
291.19727	10.4
293.21289	34.9
309.20731	100.0
312.88663	1.2
317.21274	2.7
329.21182	2.5
335.22171	1.4
519.05945	1.2
738.56024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
66.79137	0.3
85.51813	0.3
87.00871	100.0
201.65022	0.4
340.20450	0.4
412.79901	0.4
445.26389	0.4
677.49530	1.6
765.51398	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73339	0.9
84.50281	0.9
107.79199	0.9
200.33148	1.1
209.06290	1.2
225.09230	3.8
238.09979	1.9
239.10831	4.2
241.12393	15.6
252.11507	6.6
253.12411	1.3
254.10857	1.6
254.13152	15.4
254.84161	1.2
266.13074	1.8
267.13986	10.4
268.14713	6.1
279.13931	4.1
280.14639	1.2
307.17099	2.2
309.18689	3.4
322.19415	35.1
335.20023	1.2
348.20822	1.3
363.23291	2.3
376.24091	8.5
391.26480	100.0
700.19434	1.2
752.74432	1.1
765.48175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.6
60.68745	3.7
61.98835	100.0
63.35204	4.0
66.42871	4.1
67.36353	4.0
70.03722	4.1
70.62128	4.0
71.39046	3.7
75.00581	4.2
246.67444	4.4
294.72189	5.2
371.78778	5.5
641.54639	5.7
692.37732	6.1
765.31799	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.7
61.01793	0.8
61.98830	100.0
71.01374	0.5
76.61247	0.3
80.40571	0.3
81.43362	0.3
84.02609	0.4
85.05286	0.3
92.22636	0.4
106.53245	0.4
117.75281	0.4
122.17755	0.4
133.51581	0.4
170.90401	0.4
301.35831	0.4
327.15475	0.5
332.63757	0.4
361.58020	0.5
692.26282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
71.01390	0.4
72.00906	1.4
72.99301	0.6
73.02940	1.4
85.02971	0.4
86.46308	0.3
89.02425	0.3
99.81458	0.3
101.02439	8.9
112.04018	0.5
113.02441	0.5
126.05506	0.5
136.07640	0.4
136.84392	0.2
144.08168	1.6
147.04514	8.4
148.07654	0.5
149.06078	1.1
161.04544	0.6
164.07173	100.0
168.79333	0.3
180.60583	0.3
182.71823	0.3
206.08203	2.6
225.23608	0.3
236.09285	16.3
248.09235	0.5
250.10774	0.3
266.10339	1.0
278.10318	1.5
308.11273	0.3
326.12485	21.8
439.14490	1.1
593.08917	0.3
611.47827	0.3
763.73553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.78384	0.8
71.01390	10.7
73.02958	2.0
77.33410	0.8
83.01396	1.0
85.02950	5.2
89.02435	7.0
89.81541	0.9
101.02435	10.8
108.64886	0.9
113.02432	8.5
119.03426	1.3
138.06850	2.1
153.09218	19.3
154.45235	0.9
159.68504	0.9
161.04576	7.2
168.51228	1.0
186.15822	1.0
207.13933	3.6
225.14984	40.6
239.79089	0.9
387.20276	63.7
447.22556	20.5
676.28052	1.7
706.28778	10.9
766.30945	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35784	0.4
59.01384	100.0
70.53522	0.4
71.01374	3.6
88.72527	0.4
89.02458	2.5
101.02449	1.9
107.63387	0.5
113.02460	1.1
114.98952	0.5
118.70322	0.5
119.03518	2.2
161.04671	0.6
179.05685	2.1
220.68538	0.5
371.20892	1.0
431.22931	9.6
470.13229	0.5
706.32373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02375	0.4
59.01382	100.0
64.91777	0.3
68.00462	0.3
69.40902	0.3
71.01385	4.4
82.31289	0.4
89.02441	5.4
94.22493	0.4
101.02450	3.0
113.02477	2.2
119.03510	2.0
124.39533	0.4
143.03500	0.4
161.04591	0.9
178.85547	0.4
179.05627	3.5
262.85205	0.4
420.42206	0.5
431.22913	9.1
766.34723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.3
59.01377	9.0
59.36024	1.3
60.26356	1.3
60.78654	1.2
61.02958	1.8
62.32208	1.4
62.58608	1.3
69.64818	1.4
70.76543	1.5
71.01385	8.9
72.06783	1.4
72.99315	2.2
85.02943	2.4
96.54024	1.6
103.04002	9.0
115.00361	38.5
122.10253	1.7
133.01428	100.0
133.02437	3.5
133.05066	33.0
192.57791	1.7
199.13295	2.5
601.54779	1.6
744.72620	1.7
767.37537	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
69.32214	0.3
71.01377	0.6
74.30105	0.3
75.00858	0.5
85.02943	1.9
87.00875	0.6
89.02374	0.4
92.23112	0.3
93.03445	0.7
99.00918	0.3
113.02442	2.3
119.05003	1.8
127.03996	0.5
135.04523	1.5
145.02896	0.5
149.04677	0.4
155.03537	0.4
161.02440	2.3
163.04028	3.2
165.05611	0.3
165.75220	0.3
173.04532	3.9
179.03505	4.2
180.24713	0.3
191.05630	100.0
205.04913	0.4
233.08138	0.4
249.06151	1.8
267.07217	5.8
278.14020	0.4
337.09409	1.6
353.08813	24.4
413.10974	11.7
429.10358	1.3
470.13815	0.4
500.05301	0.4
568.50128	0.3
767.24152	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73426	0.9
54.37979	1.0
56.90342	1.1
59.01395	2.9
61.02950	1.3
71.01380	8.2
72.26762	1.3
72.89887	1.2
72.99324	1.9
82.80188	1.1
89.02458	1.5
103.04020	2.7
115.00367	38.0
133.01434	100.0
133.05070	12.4
138.74127	1.2
160.87837	1.2
310.69223	1.3
469.20667	1.5
567.52411	1.6
723.32483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93335	0.4
59.01364	0.8
64.98675	0.4
66.62665	0.4
67.01897	1.0
68.80721	0.4
68.84604	0.4
71.01381	2.1
73.41790	0.4
75.70870	0.4
81.51611	0.5
87.00891	1.1
88.42963	0.4
89.78162	0.5
90.67535	0.4
93.03453	13.5
111.00883	0.8
111.04527	3.4
113.02454	0.9
119.05041	6.2
137.02458	4.4
155.03502	5.6
163.02644	0.9
163.04007	19.6
170.61656	0.5
172.53926	0.6
173.04562	100.0
191.05644	23.3
191.07364	0.8
193.05115	2.3
238.36116	0.6
271.09857	0.5
297.97531	0.5
337.09369	43.3
367.10413	11.5
436.80038	0.6
443.41754	0.7
684.51550	0.6
767.24115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93335	0.4
59.01364	0.8
64.98675	0.4
66.62665	0.4
67.01897	1.0
68.80721	0.4
68.84604	0.4
71.01381	2.1
73.41790	0.4
75.70870	0.4
81.51611	0.5
87.00891	1.1
88.42963	0.4
89.78162	0.5
90.67535	0.4
93.03453	13.5
111.00883	0.8
111.04527	3.4
113.02454	0.9
119.05041	6.2
137.02458	4.4
155.03502	5.6
163.02644	0.9
163.04007	19.6
170.61656	0.5
172.53926	0.6
173.04562	100.0
191.05644	23.3
191.07364	0.8
193.05115	2.3
238.36116	0.6
271.09857	0.5
297.97531	0.5
337.09369	43.3
367.10413	11.5
436.80038	0.6
443.41754	0.7
684.51550	0.6
767.24115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77045	0.2
59.01387	0.3
65.73129	0.2
71.01385	0.5
74.72367	0.3
85.02958	1.2
87.00880	0.3
89.02418	0.4
93.03429	0.7
111.04484	0.6
127.03986	0.6
135.04524	5.7
153.01973	0.4
155.03508	1.2
161.02431	2.9
163.04007	0.4
173.04552	1.8
179.03499	10.3
191.05627	100.0
205.05038	0.6
209.58929	0.3
233.08182	1.8
280.85165	0.4
308.45670	0.3
309.76523	0.3
353.08817	9.8
767.24109	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.1
72.99273	0.6
77.57894	0.5
77.92290	0.5
77.98682	0.4
78.07275	0.5
81.03407	0.5
83.74413	0.5
85.02946	0.6
92.40296	0.5
93.03446	8.0
105.15820	0.5
111.04510	2.8
115.43764	0.6
127.03967	1.1
130.51770	0.5
135.04524	38.0
137.02437	5.3
155.03511	6.3
161.02451	3.4
173.04547	97.1
179.03499	69.6
191.05627	49.6
191.07410	1.1
228.82909	0.5
307.25476	0.7
353.08817	100.0
532.08466	0.6
767.23645	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67778	2.6
59.01384	100.0
71.01386	43.7
72.99297	3.0
73.02941	64.0
83.01381	14.5
85.02942	15.2
89.02444	36.1
95.01402	4.2
99.10218	3.0
101.02431	69.6
113.02421	38.4
119.03504	12.8
124.17133	2.8
125.09688	5.1
127.04039	3.5
131.03481	5.6
134.03766	4.5
134.69621	3.0
143.03506	4.9
149.04581	4.7
149.06042	3.2
161.04524	26.6
165.05579	4.0
170.23254	3.0
179.05592	5.4
187.09720	19.0
221.06664	13.3
222.83118	2.8
294.09021	19.2
309.11346	14.7
323.09286	4.6
324.10110	17.2
339.12418	27.0
442.11816	3.0
501.17624	32.5
519.18909	18.9
561.19849	84.2
601.39667	3.6
659.81525	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77045	0.2
59.01387	0.3
65.73129	0.2
71.01385	0.5
74.72367	0.3
85.02958	1.2
87.00880	0.3
89.02418	0.4
93.03429	0.7
111.04484	0.6
127.03986	0.6
135.04524	5.7
153.01973	0.4
155.03508	1.2
161.02431	2.9
163.04007	0.4
173.04552	1.8
179.03499	10.3
191.05627	100.0
205.05038	0.6
209.58929	0.3
233.08182	1.8
280.85165	0.4
308.45670	0.3
309.76523	0.3
353.08817	9.8
767.24109	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20720	3.3
58.83593	3.1
59.01393	12.9
61.98837	24.6
70.91389	3.7
85.70740	4.7
101.93559	3.5
122.18023	3.5
133.02940	13.9
140.65752	3.8
161.02443	100.0
179.03494	17.3
197.04553	6.5
436.30838	3.8
441.01288	3.6
507.28452	4.2
517.11481	4.3
593.05981	4.1
707.23273	34.6
767.24670	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20720	3.3
58.83593	3.1
59.01393	12.9
61.98837	24.6
70.91389	3.7
85.70740	4.7
101.93559	3.5
122.18023	3.5
133.02940	13.9
140.65752	3.8
161.02443	100.0
179.03494	17.3
197.04553	6.5
436.30838	3.8
441.01288	3.6
507.28452	4.2
517.11481	4.3
593.05981	4.1
707.23273	34.6
767.24670	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30149	1.4
59.01376	2.5
65.15507	1.3
95.48048	1.6
113.02409	1.6
116.92851	3.0
120.02538	1.6
121.02938	6.3
129.63316	1.9
134.03732	44.1
137.02438	3.2
149.02386	6.0
149.06079	18.0
150.03212	26.5
160.01646	7.1
164.04828	2.3
165.05550	80.8
175.03964	12.8
178.02733	24.5
180.04265	3.1
193.05063	100.0
195.06697	16.7
233.06091	1.9
234.06735	1.5
250.06404	10.0
267.06552	2.0
282.08963	23.6
341.10385	22.9
389.12469	48.0
543.39709	1.7
571.20551	20.7
580.48077	2.2
767.27924	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	66.1
71.01386	17.9
73.02943	2.9
75.65630	1.3
85.02953	8.3
87.00854	3.1
89.02442	20.8
99.00885	15.5
101.02428	15.3
103.04025	1.4
106.61430	1.3
113.02445	18.1
115.00341	10.0
119.03502	3.0
119.05031	5.4
131.03467	1.5
133.01448	21.8
133.05093	10.9
137.06081	5.3
143.03497	1.8
149.04561	2.9
150.06860	1.9
161.04646	4.8
161.13397	10.2
171.10286	1.5
179.34793	1.3
187.11296	5.3
191.05658	8.1
194.73814	1.4
195.55856	1.5
205.12346	30.1
249.11369	1.4
283.06085	5.4
291.19949	1.8
299.11517	1.8
309.20761	1.8
339.25339	1.8
356.35852	1.6
413.14664	8.2
419.31165	1.6
425.59189	1.4
431.15643	19.1
519.31732	9.5
543.31958	2.6
561.32904	66.1
619.27606	1.7
663.26581	11.9
681.26874	2.5
707.35498	2.8
723.28711	100.0
767.36493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36511	1.1
59.01388	34.8
71.01383	15.0
72.99330	1.5
73.02954	2.7
85.02955	3.4
89.02435	21.6
90.19754	1.2
99.00877	14.7
101.02415	10.0
111.04514	1.3
113.02432	19.9
119.03503	7.9
119.05006	5.5
131.03505	2.2
137.06082	2.0
139.39711	1.5
149.04543	2.4
150.06749	1.6
161.04491	1.4
161.13327	21.0
163.04036	1.9
187.11263	11.1
191.05714	12.0
205.12358	31.0
283.06058	1.8
299.11423	2.1
309.20917	1.6
343.21246	9.2
383.01492	1.7
413.14651	11.8
431.15707	34.2
615.29211	1.6
619.27472	2.7
650.05713	1.6
663.26483	14.3
681.27313	4.6
719.93799	1.9
723.28784	100.0
761.47705	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.2
59.01383	50.4
69.67361	1.2
71.01369	7.2
83.01376	2.8
85.02953	3.5
89.02459	1.6
97.02937	14.4
99.04507	14.1
101.02422	11.2
109.06626	2.2
113.02409	2.7
121.06524	2.3
124.05344	1.7
125.02367	2.2
133.06572	6.6
137.06149	1.5
137.09624	1.7
139.07657	40.2
168.07907	5.7
171.10300	2.1
187.11288	6.2
205.12337	10.6
217.12364	1.8
221.90434	1.6
225.00101	1.4
235.13490	1.7
279.12387	2.2
309.20706	2.7
403.90228	1.8
415.13922	1.7
445.17203	2.0
505.19275	15.2
607.36938	1.7
707.34790	3.0
767.31409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34194	0.6
59.01390	0.5
60.99317	1.3
63.61694	0.5
67.01879	1.4
80.35193	0.7
85.02920	0.5
87.00880	5.8
93.03451	22.9
94.95422	0.6
111.04522	5.1
134.03729	1.1
149.06107	0.8
155.03468	1.2
173.04552	13.7
179.53282	0.6
191.05632	100.0
193.05040	6.1
367.10364	63.5
531.00067	0.7
570.11243	0.7
750.24304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66791	0.5
60.99312	11.3
78.95874	0.8
87.00867	4.5
88.00401	1.4
88.98798	100.0
89.02433	14.7
138.07127	0.6
152.99583	5.4
244.24995	0.7
273.37909	0.6
279.23148	0.9
355.00751	0.7
357.22971	1.4
373.48944	0.7
409.23489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.2
62.37713	2.9
63.20561	2.6
63.39347	2.9
71.01386	24.8
72.99320	4.4
75.00871	36.5
89.02442	22.6
101.02440	23.2
102.28037	3.9
110.59968	3.5
113.02493	7.6
125.02370	8.4
131.03543	3.8
137.09718	8.3
155.10814	6.8
165.12811	5.6
171.10265	16.3
193.12184	3.9
209.11856	19.3
247.20728	8.3
291.19696	100.0
293.21140	5.6
309.20737	78.5
310.40219	3.4
354.14154	4.1
389.12643	3.8
397.13513	66.1
415.14645	39.1
490.72684	3.6
543.69006	4.9
689.33740	5.1
707.35132	71.9
767.39136	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85030	2.5
58.37101	2.6
59.01381	47.6
59.14372	3.0
62.57179	2.8
71.01382	17.1
78.55341	2.7
78.74854	2.9
83.01389	4.0
84.35876	3.1
89.02413	23.9
93.00568	3.1
97.02944	5.0
101.02440	18.1
107.08638	6.8
113.02460	5.3
119.03481	3.6
124.17633	2.8
139.11255	4.1
163.03976	7.4
171.10262	20.9
183.10231	57.5
183.13843	3.6
196.73741	2.8
196.82341	4.0
221.15503	14.7
239.16444	24.6
251.16612	6.6
273.18521	5.5
291.19656	17.7
309.20728	100.0
397.13547	20.2
415.14661	43.1
469.74683	3.8
561.32916	15.3
569.25708	4.1
581.24268	3.8
707.34869	74.2
730.34448	3.5
767.29156	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15224	0.2
57.03437	0.2
59.01380	2.6
71.01374	2.8
71.05017	0.2
73.02929	1.9
74.05712	0.2
76.01245	0.2
83.01371	0.3
83.05015	2.5
84.02174	0.3
85.01564	0.2
85.02934	2.1
87.04498	1.1
89.02438	0.9
95.05004	1.6
97.06599	0.4
99.00856	0.5
99.04430	0.2
101.02431	5.1
113.02435	1.5
113.06076	1.2
115.07608	0.4
123.08144	1.2
125.06041	0.2
125.09701	0.9
135.08232	0.2
136.07683	0.5
141.09258	0.2
145.02856	0.3
149.02448	0.3
159.02950	0.5
161.04584	1.8
164.04729	0.2
171.10258	6.3
172.10504	0.2
181.12366	1.0
183.10213	0.9
183.13931	0.6
185.11836	1.0
191.05699	0.4
193.12341	0.4
197.11855	1.3
199.13440	2.2
201.11356	4.6
209.11867	4.2
210.12048	0.3
211.13445	5.4
221.11809	0.5
223.06128	0.6
223.13445	0.3
227.12918	0.9
229.14456	12.6
235.13388	1.2
237.14977	3.2
239.12997	0.3
249.14870	1.1
255.16006	2.9
267.16080	1.0
283.06015	0.3
285.17227	0.3
289.18063	1.3
291.18121	3.0
297.67697	0.2
307.19144	0.3
309.20651	0.3
325.20242	3.1
341.19720	0.9
342.20029	0.9
343.21283	100.0
344.79892	0.2
402.09543	0.3
423.22437	10.6
452.51239	0.3
470.73145	0.3
563.40723	0.3
607.21075	0.4
626.13116	0.3
767.26855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.8
71.01372	23.4
73.10055	2.8
79.16837	2.7
80.49416	2.6
89.02432	27.1
101.02451	22.7
111.42375	2.7
112.26620	3.0
116.92861	3.2
119.03469	4.8
125.02455	5.4
235.08217	4.0
309.28003	100.0
355.56778	3.6
397.13593	57.5
415.14719	15.1
707.42377	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10986	1.2
69.59761	1.1
116.92817	1.3
152.99626	1.5
162.64568	1.1
169.18112	1.2
171.10260	9.3
193.05157	2.0
211.76999	1.2
277.21729	13.9
295.22809	57.5
324.89346	1.4
471.34845	100.0
484.93106	1.4
585.46069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	77.7
61.98833	2.2
70.12093	1.9
74.33461	1.6
79.42239	1.7
116.92887	3.0
130.87134	2.1
161.79819	2.5
164.04781	3.0
176.04716	3.4
179.03403	2.9
179.07050	2.7
191.07149	3.1
194.05841	19.2
199.71469	2.1
209.08186	40.0
283.06082	2.0
295.06519	2.1
306.04129	47.0
307.04990	7.4
308.05695	7.9
319.23685	2.2
321.06323	27.1
322.07196	41.8
323.08047	8.4
336.08804	100.0
337.09579	40.7
338.10339	8.5
505.35229	2.0
546.17743	57.4
586.48975	2.3
768.23669	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.289
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95900	1.9
73.75745	2.5
82.02984	44.5
85.46955	2.1
91.05495	3.2
96.96005	27.6
100.04044	46.6
113.22384	2.8
135.10780	2.4
142.42702	2.2
202.08781	26.1
202.10382	3.1
248.09302	100.0
553.99091	2.8
565.95441	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
72.99309	10.1
72.99662	1.3
81.03432	1.2
83.05000	10.0
111.04514	21.9
115.04012	6.3
127.03998	58.0
129.05559	2.2
137.02464	2.7
145.03011	1.9
155.03499	79.9
163.03998	1.9
171.03009	1.5
191.05751	1.6
199.00798	2.5
199.02499	44.7
217.03534	100.0
275.39099	1.2
638.95233	1.4
769.23370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46164	0.5
56.31981	0.5
59.01379	2.5
66.17515	0.6
71.01374	1.1
72.98891	1.0
72.99306	28.1
86.94576	0.6
89.02422	2.3
92.22510	0.7
93.14037	0.7
101.02431	0.8
104.21892	0.7
111.00871	0.6
113.02452	0.8
115.04015	0.7
123.04483	6.2
124.01440	0.7
135.04509	6.8
137.02443	0.7
179.03502	35.1
190.19826	0.7
197.04564	100.0
201.30051	0.7
240.81839	0.8
354.42154	0.8
359.09885	75.7
409.13345	6.5
429.99805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46164	0.5
56.31981	0.5
59.01379	2.5
66.17515	0.6
71.01374	1.1
72.98891	1.0
72.99306	28.1
86.94576	0.6
89.02422	2.3
92.22510	0.7
93.14037	0.7
101.02431	0.8
104.21892	0.7
111.00871	0.6
113.02452	0.8
115.04015	0.7
123.04483	6.2
124.01440	0.7
135.04509	6.8
137.02443	0.7
179.03502	35.1
190.19826	0.7
197.04564	100.0
201.30051	0.7
240.81839	0.8
354.42154	0.8
359.09885	75.7
409.13345	6.5
429.99805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
60.99305	1.4
67.01895	1.8
71.01385	0.5
79.69928	0.3
83.05047	0.5
85.02938	0.3
87.00862	3.8
87.01231	0.3
92.22541	0.5
93.03448	19.9
111.04516	5.3
113.96239	0.3
114.43648	0.4
127.04066	0.4
129.01950	0.8
129.87212	0.3
134.03755	3.1
149.06065	1.5
155.03496	1.5
161.29155	0.3
163.04050	0.8
167.27431	0.3
168.50978	0.3
173.04538	11.9
173.13332	0.3
175.04042	0.7
191.05623	100.0
193.05075	7.1
311.39059	0.4
367.10376	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
60.08851	0.5
62.48320	0.6
68.29108	0.7
71.01368	1.4
85.02910	0.6
87.00877	0.6
88.33835	0.6
101.02415	0.7
111.91481	0.6
113.02416	0.7
121.02952	1.5
135.04524	1.0
147.00890	1.1
149.02455	7.7
149.08620	0.6
152.01093	1.1
163.04025	3.5
164.04799	16.9
165.05551	1.1
175.00322	8.3
179.03514	2.5
179.07129	1.5
190.02740	70.3
191.03532	1.5
197.04573	2.9
205.05074	65.3
206.05785	1.1
207.02847	0.7
208.03723	1.2
209.04568	4.7
221.08208	4.8
223.06117	11.3
237.07684	3.2
250.04808	1.2
251.05641	2.6
265.07196	5.1
315.12451	1.0
358.56946	0.7
677.74609	0.7
769.27185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87287	0.2
71.01350	0.3
72.99306	2.2
87.21936	0.2
89.28105	0.2
93.61143	0.2
101.02404	0.3
118.30469	0.2
123.00900	1.3
123.04488	0.3
133.01433	1.1
138.03217	5.6
146.11792	0.3
146.46693	0.3
147.25734	0.3
153.05565	5.8
153.72623	0.3
166.99797	1.4
179.03505	2.9
182.02209	27.3
197.04562	100.0
211.06047	0.4
359.05203	0.5
359.09845	15.1
449.71799	0.3
450.40808	0.3
578.33893	0.3
751.77820	0.4
769.28149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26876	1.0
59.01381	100.0
68.85429	1.1
71.01382	18.0
71.30384	1.1
73.02948	7.3
74.25208	1.0
83.01386	2.6
83.05054	1.3
85.02953	5.7
89.02452	1.6
93.03461	2.8
99.00889	2.8
101.02437	25.7
101.03458	1.3
101.06072	7.8
111.04494	5.3
112.04602	1.2
113.02451	12.3
146.06165	1.2
155.03531	5.2
159.03014	2.6
161.04558	16.8
173.04544	6.4
203.08336	5.2
204.29347	1.3
245.10207	2.4
258.48920	1.3
263.11417	18.7
279.02356	1.3
305.12457	88.0
332.73486	1.3
365.13449	1.3
419.15753	1.5
578.44922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80856	0.5
59.01364	0.7
60.99298	2.2
64.83710	0.4
65.60059	0.4
67.01888	1.8
68.81320	0.4
69.03468	0.5
71.01382	0.7
75.81863	0.4
79.84246	0.5
85.02937	0.8
87.00877	5.7
89.66090	0.5
93.03449	19.1
94.15470	0.5
111.04516	4.7
129.01923	1.1
134.03737	2.4
149.06128	0.6
154.46651	0.5
166.07442	0.5
173.04552	11.1
191.05627	100.0
192.06123	0.6
193.05023	7.1
222.32961	0.5
367.10370	60.4
369.10779	0.7
380.96677	0.6
669.54944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.5
63.64642	0.6
71.01378	8.3
71.84866	0.5
72.99314	1.2
78.61752	0.5
80.99703	0.5
82.45345	0.6
83.09755	0.5
85.02957	2.4
89.02437	10.4
96.96009	0.7
101.02428	6.8
101.94910	0.6
107.05032	0.7
113.02430	4.6
119.03498	2.7
131.03505	0.7
134.03749	6.7
135.04530	2.7
149.02376	0.6
149.06081	1.2
153.01923	0.6
160.01642	0.7
163.04007	9.4
164.04785	2.9
166.02673	2.4
175.03995	3.0
177.01936	0.8
177.05516	0.8
178.06374	1.0
181.04977	1.0
183.06635	1.2
190.02711	5.4
191.05447	0.6
193.05002	5.7
197.04535	0.7
205.05084	17.1
207.02985	7.9
209.04668	0.8
222.05344	3.5
223.06104	3.1
230.09572	1.4
272.80237	0.6
274.08478	2.7
289.10794	5.4
293.10226	2.4
321.09799	2.3
431.59250	0.6
439.12308	1.0
454.15131	1.3
469.17218	100.0
500.60388	0.7
526.78320	0.6
769.25018	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23744	0.6
59.01381	25.8
71.01382	4.6
78.63629	0.6
85.02935	0.9
89.02438	5.5
92.99448	0.6
96.95995	3.3
101.02426	5.4
113.02441	2.8
119.03500	1.0
149.02444	1.6
149.06094	0.8
149.49713	0.8
161.04608	0.7
163.03976	2.5
164.04796	10.7
166.02725	3.1
178.06450	1.1
179.07150	3.8
183.06764	1.5
190.02699	18.6
205.05075	56.5
207.02991	3.1
208.03796	0.8
222.05264	2.5
223.06110	10.9
401.67383	0.7
420.10184	0.7
463.16013	8.7
469.17200	100.0
709.26929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00581	0.5
59.01378	13.4
65.84562	0.6
68.68288	0.6
71.01380	8.5
73.02966	0.8
77.30626	0.6
84.10130	0.6
85.02953	3.5
87.00883	1.1
89.02441	6.7
99.00890	0.8
101.02421	7.5
113.02435	4.1
119.03496	3.2
133.01370	1.1
135.04471	1.1
139.02606	0.7
145.58441	0.7
147.04556	0.8
149.02431	4.8
153.01958	0.9
161.04555	0.9
163.04018	5.1
164.04796	17.2
166.02704	2.6
175.00354	1.4
177.05540	1.0
179.07135	3.8
183.06566	3.0
190.00998	1.2
190.02724	30.6
195.06631	1.4
205.05066	72.9
207.02921	2.2
208.03792	3.7
222.05359	0.7
223.03963	1.2
223.06114	17.5
232.04454	0.7
263.11417	8.7
306.99149	0.6
307.05417	0.7
469.17191	100.0
505.17163	1.4
523.18097	3.8
528.50183	0.7
531.37219	0.7
769.24701	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.4
60.39442	0.6
62.56486	0.5
71.01380	6.5
89.02444	7.0
101.02465	5.6
113.02439	3.0
119.03539	0.6
135.04446	0.9
149.02434	0.7
163.04099	6.3
164.04771	2.9
166.02693	1.5
167.41196	0.6
176.22098	0.7
177.05609	0.8
178.06448	1.1
179.05650	0.7
179.07211	1.0
183.06590	1.2
187.30196	0.6
190.02730	4.0
205.05045	16.8
207.02985	7.0
208.03874	0.9
222.05338	2.8
223.06180	3.4
230.09438	0.7
245.11830	0.8
268.27438	0.9
271.09564	0.7
274.08591	3.8
289.10931	7.0
293.10239	1.2
305.69525	0.8
321.09903	1.0
454.14764	0.8
469.17197	100.0
709.27863	1.6
769.27441	1.1
791.71344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21209	0.4
56.73788	0.5
59.01382	29.8
71.01365	5.1
73.02961	0.5
85.02918	1.0
89.02430	5.0
96.24776	0.5
101.02430	5.3
113.02437	2.8
119.03461	3.7
134.03685	0.9
135.04474	0.8
144.03134	0.6
149.02443	2.3
152.01118	0.6
158.47569	0.5
163.04010	2.7
164.04790	9.9
166.02702	3.5
175.00290	0.8
177.05664	0.6
178.06355	0.9
179.07129	4.4
183.06607	1.2
190.02721	17.6
191.03464	0.6
205.05074	61.3
207.03018	2.2
208.03748	0.8
222.05309	2.8
223.06142	9.9
230.09494	0.6
286.11160	0.6
382.92911	0.6
463.16208	9.0
469.17188	100.0
530.00317	0.6
709.26984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53030	0.3
59.01125	0.6
59.01379	11.2
59.62224	0.3
68.42168	0.3
71.01375	5.5
73.02913	0.7
85.02943	1.3
87.00881	0.4
88.98799	0.5
89.02433	5.8
97.78342	0.3
101.02429	6.5
103.00352	0.4
113.02454	2.9
118.75691	0.4
119.03484	2.3
130.16595	0.3
134.03711	0.5
135.04532	0.6
136.13785	0.4
149.02429	2.4
153.02003	0.5
161.04576	0.6
163.03987	3.9
164.04794	7.9
166.02734	2.4
171.80276	0.4
175.00220	0.6
177.05548	2.0
178.06371	1.8
179.07150	1.8
180.04242	0.4
180.72099	0.4
181.05052	0.4
183.06595	1.8
190.02724	25.0
191.03677	0.5
195.06610	1.5
205.05067	71.7
207.03003	2.8
208.03784	1.4
219.10046	0.4
222.05365	2.1
223.06148	9.1
245.11520	0.5
263.11459	0.6
413.17621	0.4
454.14685	0.5
469.17188	100.0
505.17288	0.5
695.25879	2.1
769.29828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27379	0.7
57.69337	0.8
59.01386	71.4
62.90034	0.7
66.59641	0.8
71.01363	2.0
73.02947	0.9
80.02293	0.7
87.00881	1.4
89.02428	1.3
101.02413	3.4
110.42536	0.9
113.02429	1.3
119.03577	1.3
122.02330	1.1
149.61273	1.2
163.04062	1.1
164.04781	8.8
179.05716	1.0
179.07132	2.2
180.31502	1.0
190.02718	16.1
191.05595	1.0
201.46353	0.9
205.05083	60.4
206.05864	1.1
208.03810	3.6
209.04652	1.1
223.06071	6.9
245.34567	0.9
265.07187	3.6
349.81580	1.1
379.68283	1.0
431.72943	1.1
454.14999	1.7
463.16034	4.9
469.17218	100.0
475.35999	1.1
741.22919	1.0
769.28833	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.3
60.20615	0.4
71.01385	1.0
72.78267	0.5
85.02953	0.6
89.02431	0.8
93.69320	0.5
101.02432	0.7
109.75171	0.5
117.47947	0.5
119.03495	0.6
149.02419	2.5
152.01138	0.6
163.03909	0.9
164.04787	13.3
175.00342	0.6
179.07185	3.8
184.94859	0.6
190.02725	23.0
190.04401	1.0
205.05061	79.8
207.02940	0.6
208.03802	1.2
209.04524	1.2
223.06125	11.8
237.07405	0.6
439.11841	0.7
454.14868	0.9
463.16122	4.5
469.17178	100.0
488.67880	0.6
529.01141	0.5
536.75580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60251	0.5
59.01104	0.9
59.01382	19.0
59.19963	0.5
71.01382	9.1
83.01389	1.0
85.02945	0.9
89.02437	8.9
89.45743	0.5
92.22507	1.1
101.02442	7.2
113.02456	4.6
119.03498	3.4
134.03700	3.0
135.04565	4.2
149.02431	2.7
149.06050	1.0
150.03174	0.8
151.03967	0.8
152.01187	0.7
160.01706	2.3
163.04027	12.1
164.04778	10.7
165.05556	2.7
166.02739	4.4
175.04024	5.3
175.87802	0.5
177.05602	0.9
178.06355	3.4
179.07121	4.8
181.05060	0.7
183.06618	1.4
190.02713	7.4
191.03542	1.3
191.10765	1.1
193.05045	1.2
205.03281	1.2
205.05081	22.7
207.02950	9.3
208.03683	1.4
209.04536	0.9
222.05296	6.1
223.06134	4.9
230.09547	2.3
245.11674	0.8
259.05927	0.6
274.08511	4.1
289.10828	7.6
293.10434	2.9
315.22171	0.7
321.09827	1.3
335.11319	0.7
410.76907	0.7
439.12183	0.9
454.14978	0.7
463.15973	6.7
469.17181	100.0
471.15393	0.7
529.21198	1.0
576.19824	0.7
769.26501	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70328	3.9
94.54701	3.6
109.18113	4.6
262.99591	4.9
346.22501	4.7
504.37357	4.6
534.40820	5.2
769.33795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17488	2.0
59.01379	4.3
61.98850	2.1
64.38203	1.9
71.01405	3.1
72.99296	47.3
82.31591	2.0
99.43420	2.7
101.02445	2.1
123.03719	2.3
123.04544	14.2
135.04538	12.6
150.59593	2.0
179.03500	53.5
197.04553	100.0
205.05121	3.7
245.98265	2.3
311.22141	2.4
395.22549	3.0
469.17065	4.6
509.27527	4.4
637.95734	2.2
671.33514	4.3
769.36823	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.379
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93954	0.9
78.74150	1.0
78.95905	37.3
96.96946	7.5
111.05411	0.9
115.03963	2.6
146.47231	1.1
146.91559	1.1
152.99580	100.0
238.79053	1.1
255.23312	77.4
645.41296	1.1
725.22717	1.2
769.37848	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	69.8
61.98830	7.3
64.49510	1.1
71.01368	9.2
73.02930	3.0
84.60763	1.2
85.02943	5.5
89.02435	4.6
97.02927	1.8
101.02431	11.1
110.15925	1.3
113.02449	9.0
117.39371	1.0
121.92802	1.2
143.07224	1.1
148.32124	1.3
159.03052	1.2
161.04623	2.0
164.35922	1.3
223.13495	1.4
299.25824	2.1
440.52054	1.3
457.67209	1.5
461.31235	2.2
503.32025	1.8
545.33411	6.3
563.34412	100.0
769.37067	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	69.8
61.98830	7.3
64.49510	1.1
71.01368	9.2
73.02930	3.0
84.60763	1.2
85.02943	5.5
89.02435	4.6
97.02927	1.8
101.02431	11.1
110.15925	1.3
113.02449	9.0
117.39371	1.0
121.92802	1.2
143.07224	1.1
148.32124	1.3
159.03052	1.2
161.04623	2.0
164.35922	1.3
223.13495	1.4
299.25824	2.1
440.52054	1.3
457.67209	1.5
461.31235	2.2
503.32025	1.8
545.33411	6.3
563.34412	100.0
769.37067	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.46
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.7
59.01379	31.4
59.18873	0.8
71.01375	21.7
73.02939	3.4
81.03487	1.1
83.01389	2.2
85.02955	4.3
87.00870	3.4
89.02433	26.7
95.01381	1.1
97.02949	4.8
101.02440	21.6
107.44802	1.0
109.31484	1.0
113.02446	8.1
118.12537	0.8
119.03476	4.9
125.02403	8.7
142.96002	0.9
143.03520	2.1
149.04590	1.4
161.04539	1.9
179.05602	1.3
221.06624	1.0
235.08226	6.3
279.23334	4.8
305.08713	1.0
311.29590	100.0
320.14197	1.0
397.13550	76.8
415.14603	18.0
565.54059	1.0
709.31409	1.7
709.43890	51.8
769.49933	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.4
65.91611	0.7
68.63383	0.8
76.79768	0.8
79.30115	1.0
80.42207	0.9
90.46568	0.9
92.22592	1.1
108.46340	0.9
136.05278	6.6
149.06085	1.6
162.06837	5.2
163.07562	1.0
173.02769	1.3
175.07666	1.7
199.07626	1.2
201.09201	1.5
213.09256	2.1
227.10808	2.1
237.18581	17.8
263.16483	3.9
281.17612	13.9
357.20724	4.2
367.26880	1.1
377.24731	2.2
380.23669	1.2
384.23108	13.3
395.26028	8.8
397.90665	1.0
398.24606	7.9
412.33514	1.9
413.27072	8.3
422.34854	1.1
425.34082	1.2
430.34436	4.3
432.36102	5.2
645.52588	1.6
663.53534	5.5
681.54419	8.5
725.54016	11.7
769.52698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94810	2.2
56.02482	2.0
59.01378	2.5
68.67217	2.4
106.61176	2.3
139.04041	3.4
143.24492	2.6
155.95734	2.6
166.66521	2.5
168.21147	2.1
253.21727	12.7
255.20813	5.0
255.23334	100.0
279.23389	2.7
353.27188	2.7
367.28714	5.6
498.25174	3.1
605.55298	2.4
652.48572	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96172	0.4
55.01867	0.5
56.00962	0.4
57.03456	6.3
59.01391	4.0
60.20666	0.4
63.82194	0.5
63.85748	0.5
64.25532	0.4
69.57344	0.4
71.01379	1.0
75.00858	0.7
83.01362	0.9
84.02176	1.1
85.02948	100.0
89.02460	0.6
94.52774	0.4
101.02456	1.0
103.00386	1.7
111.00844	3.9
113.75826	0.5
125.51412	0.5
129.01945	7.6
134.03745	1.0
137.02509	0.6
137.06163	0.5
147.02998	8.0
157.91147	0.6
173.00858	0.6
191.02000	24.5
193.04974	3.4
209.03009	5.0
215.26889	0.6
270.56696	0.6
316.38934	0.5
361.11639	0.8
367.06726	1.0
385.07828	54.2
568.06586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90094	0.5
55.01864	0.6
57.03446	6.8
59.01381	3.8
67.01862	0.6
71.01372	1.2
75.00874	0.6
83.01398	2.5
85.02949	100.0
87.00840	0.7
87.58570	0.5
89.02412	0.5
92.66039	0.6
93.03470	4.8
100.79932	0.5
101.02468	1.0
103.00385	1.3
111.00886	2.8
111.04491	0.9
113.84013	0.5
115.00372	0.7
116.92852	3.0
117.14465	0.6
119.05055	0.7
122.19543	0.5
129.01933	6.7
134.03777	1.0
136.46053	0.5
137.02431	0.7
147.02982	8.7
163.03967	1.4
173.00896	1.4
173.04549	8.6
191.02002	27.7
191.05638	11.9
193.04985	3.8
204.11948	0.6
209.03032	4.9
286.08316	0.6
301.10999	0.7
337.09235	2.0
367.10556	6.7
385.07825	52.2
525.28046	0.6
771.21100	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10864	1.4
59.01377	10.3
59.02736	1.3
60.79335	1.4
70.51147	1.6
71.01379	6.8
85.48294	1.3
89.02456	7.5
101.02470	3.3
113.02496	2.2
129.21439	1.9
149.02458	2.8
152.01111	1.7
164.04781	33.9
171.56471	1.5
179.07143	22.1
190.02687	7.8
194.76878	1.7
205.05043	43.7
206.05833	11.5
208.03799	29.9
221.08176	19.8
223.06133	100.0
237.07581	3.9
247.06168	3.3
250.04813	2.2
265.04468	2.7
265.07196	58.8
265.09998	2.4
271.54568	2.2
273.47409	1.8
295.08218	18.1
300.02768	6.0
301.03589	1.8
314.29663	1.6
325.09308	32.3
361.30472	1.8
376.70303	1.8
385.11441	84.9
515.55878	2.0
544.55145	1.8
609.14886	1.9
625.22546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
63.21924	0.6
64.81528	0.6
67.40169	0.6
70.74192	0.5
71.01377	1.3
71.08787	0.5
89.02429	4.5
92.23090	1.2
101.02455	1.2
119.03435	0.7
123.26534	0.6
136.24644	0.6
149.02423	2.5
164.04800	14.4
179.07153	6.9
190.02744	28.9
191.05692	0.7
205.05078	100.0
206.05977	0.7
208.03789	17.6
221.08150	1.4
223.06129	38.1
247.06075	2.8
325.09442	1.2
385.11462	70.0
394.39221	0.6
625.65302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.8
60.10267	1.9
67.63016	2.2
71.01385	12.9
85.02948	16.3
89.02439	15.4
89.97153	2.3
97.34278	2.3
101.02414	5.3
113.02465	5.2
119.03509	3.8
132.15892	2.1
149.02528	3.7
151.46756	2.3
153.05563	2.7
154.96458	2.3
164.04796	43.6
179.07213	23.0
179.08568	3.0
190.02687	19.4
191.01993	5.9
191.03569	3.6
205.05084	78.6
206.05931	21.3
207.03072	2.7
208.03784	12.1
221.08197	45.8
223.06125	97.0
237.07755	4.4
247.06152	5.5
250.04851	4.2
265.07208	100.0
295.08212	29.6
325.09320	51.5
385.11478	84.9
427.10410	3.3
429.11508	3.2
705.63470	3.6
771.21710	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	25.8
76.55602	0.5
81.81402	0.5
85.67585	0.5
92.22559	0.6
102.99880	0.5
123.04510	5.1
135.04491	5.9
179.01920	1.1
179.03506	30.7
197.04561	100.0
248.30615	0.6
305.22473	0.5
313.55777	0.6
325.73459	0.6
336.36978	0.6
340.46423	0.5
359.09885	72.7
409.87134	0.6
487.22977	0.6
609.86011	0.6
637.08923	0.6
666.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.5
59.86151	1.3
60.60649	1.5
61.91304	1.6
62.04442	1.3
64.51394	1.4
77.39993	1.4
78.64413	1.5
88.67712	1.8
93.37918	1.5
103.11731	1.7
109.02946	24.9
113.95626	1.6
134.02817	1.7
134.03696	13.3
146.00537	2.3
153.01932	83.5
191.05597	3.0
193.05061	23.3
219.11378	6.9
223.05989	2.1
234.82341	1.7
249.12440	67.0
254.82811	1.7
262.05368	1.9
267.13574	14.5
286.08499	4.2
343.67334	2.1
367.10324	6.7
403.15125	100.0
438.01950	2.3
542.41724	2.0
689.97339	2.1
771.23950	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
104.75276	1.2
113.19738	1.2
117.03450	2.3
134.03734	39.1
141.42609	1.0
149.06067	7.1
155.03537	4.5
155.42644	1.1
173.04550	2.5
191.05640	5.0
193.05060	100.0
244.04665	1.1
265.12619	1.0
305.15900	1.0
367.10333	47.3
743.79761	1.2
771.22955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.9
59.78569	0.5
72.99306	3.5
75.00869	5.4
87.00909	0.8
105.01929	100.0
137.42883	0.6
150.03175	2.4
156.86581	0.7
165.05508	5.1
183.56401	0.7
190.02692	2.3
205.05046	7.5
223.06183	0.8
265.57953	0.7
308.00583	0.7
469.17181	5.2
475.47046	0.7
665.24591	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84562	0.4
54.97479	0.3
58.10809	0.4
59.01375	0.6
62.89499	0.4
71.01377	0.9
72.91538	0.3
73.02959	0.6
73.84706	0.4
76.20267	0.3
77.04536	0.3
85.02985	0.4
87.00881	0.9
91.19135	0.4
93.03455	3.2
101.02415	2.1
113.02428	1.5
117.03489	3.4
119.05021	5.7
121.17580	0.4
137.02411	0.7
145.02954	100.0
155.03459	0.8
161.04506	0.7
163.04010	17.0
173.04549	14.5
189.05591	15.8
191.05647	8.1
200.92957	0.4
211.07617	0.7
217.08559	0.6
236.28763	0.4
261.07767	0.5
307.08527	0.5
337.09387	7.1
367.10309	4.0
371.01563	0.5
409.15103	68.5
507.18634	5.3
659.91492	0.4
771.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
66.33465	0.4
71.01382	1.8
82.52080	0.4
85.02962	0.7
89.02438	0.8
101.02419	1.8
103.98383	0.5
109.10357	0.4
113.02452	1.6
115.47461	0.5
115.58747	0.4
117.03439	4.2
119.05025	5.1
119.61140	0.4
145.02951	100.0
163.04015	13.5
173.04584	5.8
174.04912	0.8
189.05579	11.2
191.57146	0.4
202.53299	0.4
279.44714	0.5
338.37585	0.5
399.85333	0.5
405.33981	0.5
409.15085	62.8
507.18753	4.6
771.30634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50728	0.4
59.01380	0.6
71.01387	1.0
73.02953	0.6
79.22726	0.4
82.36624	0.4
83.83957	0.3
85.02965	0.6
87.00847	0.4
93.03467	1.7
101.02435	1.8
101.32807	0.4
113.02439	1.0
117.03429	3.0
119.05013	5.3
145.02956	100.0
161.04510	0.5
163.04021	13.9
173.04559	1.7
189.05595	12.9
191.05643	9.6
253.59796	0.5
261.07431	0.5
301.71771	0.5
321.54761	0.4
367.10388	5.3
403.61090	0.4
409.15103	69.7
480.55737	0.4
507.18744	6.4
771.31403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41009	0.2
59.01389	0.4
66.56377	0.2
71.01359	1.6
72.86694	0.2
73.02925	0.4
79.50130	0.3
83.01426	0.4
85.02951	2.6
89.41235	0.3
93.03431	0.4
99.05692	0.3
101.02433	2.0
101.06071	0.3
113.02440	1.5
117.03448	2.9
119.04996	4.3
122.14401	0.3
140.55162	0.2
145.02950	100.0
157.09854	0.3
161.04517	0.6
163.02635	0.5
163.04015	13.2
173.04526	0.4
189.05585	14.1
191.02138	0.3
191.05649	0.3
247.15669	0.3
248.49248	0.3
307.08417	0.4
385.07486	0.3
409.15091	64.0
424.36102	0.3
504.59717	0.3
507.18738	6.4
539.69073	0.3
632.50201	0.3
708.63104	0.3
771.31848	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58737	0.8
58.96920	1.0
64.83773	1.0
80.00065	0.9
89.43414	1.0
99.92633	2.1
100.85402	1.0
116.92854	100.0
251.27783	1.2
295.22687	5.2
378.64267	1.2
380.84668	1.1
464.86951	1.2
517.70374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36679	0.4
67.20074	0.3
73.02950	0.6
74.44968	0.4
78.95898	0.6
99.92593	2.6
111.68486	0.4
114.93416	0.5
116.92852	100.0
117.01955	4.1
134.75235	0.4
140.12311	0.4
226.60056	0.5
328.54880	0.4
471.16248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06181	0.4
56.64056	0.3
57.03454	0.4
59.01376	0.9
71.01392	0.4
71.71248	0.4
72.98399	0.4
83.05013	3.6
85.02942	0.6
87.04511	0.5
93.38556	0.5
95.05013	2.2
97.06588	1.1
106.04245	0.4
113.02439	4.1
113.06094	0.8
113.74768	0.4
115.07600	0.5
123.08166	0.8
131.64598	0.4
135.08165	2.3
153.09227	0.6
171.10272	7.3
181.12401	0.7
183.10373	3.2
185.11873	0.5
201.11339	10.5
208.33167	0.4
209.11853	9.4
209.15240	0.4
211.13423	7.6
227.12848	0.6
229.14468	16.7
237.15044	2.2
249.14990	1.9
255.16130	0.7
267.16080	1.7
278.65234	0.4
285.17087	0.6
289.18225	0.8
307.19183	0.6
325.20248	2.1
343.21301	100.0
425.35904	0.5
432.14468	0.5
771.29535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
69.98659	1.1
92.23035	1.8
150.06865	24.0
171.10309	1.0
179.10770	20.7
205.12491	1.2
225.07645	2.3
249.74876	1.1
329.14136	1.4
333.27649	1.1
341.23148	2.2
343.21234	6.9
364.22726	1.9
462.29910	4.5
465.17770	2.4
470.17920	1.6
471.18250	4.6
476.30667	1.2
477.32416	11.5
504.30948	1.4
505.31750	1.5
522.32166	7.6
523.32813	32.7
578.45233	1.3
641.25134	1.1
685.38879	2.1
727.39209	100.0
771.34576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92904	1.2
68.82558	0.9
69.87775	1.1
73.04076	2.0
77.51403	1.5
82.08844	1.0
83.19987	1.1
84.30727	1.3
93.01822	1.4
95.02487	5.8
106.36920	1.2
110.25932	1.3
113.03543	2.0
115.08778	3.0
116.05002	2.2
123.11414	1.2
130.06218	1.5
130.08736	24.3
155.08221	6.8
161.46248	1.3
172.10898	8.3
186.12578	1.4
190.02640	2.3
199.18155	7.2
205.05112	3.0
206.82919	1.5
211.11993	19.1
229.13100	32.9
241.88208	1.3
242.18903	1.5
243.17175	5.0
249.93884	1.4
256.20346	12.7
282.18103	1.7
286.15155	3.1
299.20798	1.5
300.19403	1.9
313.22388	14.0
326.74472	1.5
335.20206	1.6
358.18881	7.3
368.64868	1.6
412.29227	1.4
469.31668	1.8
487.24286	1.6
498.86813	1.5
771.28424	8.4
771.42065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96585	0.7
54.01802	0.6
54.51752	0.7
62.25341	0.7
78.95898	28.5
88.96228	0.8
96.96940	1.9
116.92817	3.6
118.71853	0.8
120.65115	0.8
151.60483	0.8
152.30823	0.8
152.99579	100.0
162.15300	0.8
171.00644	1.3
281.15158	0.9
336.11285	1.0
342.78094	0.9
433.23621	54.0
460.18567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85522	0.3
59.01365	0.5
67.14219	0.3
71.01416	0.3
79.95741	1.6
89.02490	0.3
90.00654	0.3
102.66664	0.3
108.08199	1.8
110.94104	0.3
121.05348	2.7
136.07681	100.0
153.04312	0.4
156.61668	0.3
180.06673	52.3
188.31168	0.4
237.03900	0.3
267.83655	0.3
283.06076	0.4
300.10550	0.3
369.13556	0.3
369.77545	0.3
772.31537	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.17968	0.3
75.93543	0.4
78.09359	0.3
92.23162	0.4
104.55846	0.4
110.05061	0.4
120.46544	0.3
138.59926	0.4
254.00540	0.4
281.35858	0.4
728.39764	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46815	0.2
59.01384	2.0
60.01733	0.2
61.98837	100.0
95.78326	0.2
108.41360	0.3
164.04819	0.3
186.39343	0.2
190.02771	0.5
191.03122	0.3
205.05077	1.6
206.05498	1.1
207.05830	0.3
223.06110	0.2
224.06276	0.3
356.40186	0.3
469.17157	0.4
470.17789	0.5
471.17886	1.6
472.18149	1.5
578.63324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83229	0.2
59.01379	1.2
61.98832	100.0
64.39674	0.3
71.58191	0.2
80.78474	0.2
110.53753	0.3
114.64481	0.3
132.25929	0.3
157.13538	0.3
190.02612	0.3
205.05081	1.3
206.05449	0.6
267.00491	0.3
277.22330	0.3
323.69550	0.3
359.30432	0.3
469.17422	0.4
470.17523	0.5
471.18048	1.5
472.18021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16928	0.2
59.01389	0.4
61.98835	100.0
68.90690	0.2
70.01794	0.2
77.45464	0.2
92.22495	0.4
94.39211	0.2
140.72133	0.3
150.06898	1.5
179.10800	1.5
180.11159	0.5
197.85703	0.3
471.18002	0.5
472.18280	1.4
478.33170	0.4
523.32758	0.5
524.33374	1.8
542.53229	0.3
728.39630	7.4
793.33472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97568	8.5
59.01384	43.8
61.42711	4.6
63.18662	4.8
71.01363	11.8
72.23684	5.1
72.95352	4.7
86.97920	5.4
89.02433	21.4
101.02427	8.5
110.29615	5.7
120.52064	5.0
136.08218	5.4
170.91179	5.6
180.56633	5.2
712.54156	100.0
786.68054	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.3
59.01375	2.8
61.19860	0.4
64.45250	0.4
75.41898	0.4
79.61296	0.5
89.02437	0.6
99.14070	0.4
119.05009	0.5
133.05031	1.7
135.04521	31.9
163.04012	2.1
175.06082	0.5
179.03505	100.0
289.93588	0.4
291.27426	0.5
341.08786	46.2
414.54666	0.5
431.15369	0.6
447.14954	0.8
773.21027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36039	0.7
59.01377	4.1
60.26736	0.7
72.99300	18.7
81.03450	0.8
83.05025	23.1
84.27779	0.8
85.02921	0.7
93.03452	0.9
94.36395	0.8
101.02433	1.0
111.04518	19.8
115.04003	13.1
120.57505	0.8
127.04008	64.6
129.05583	6.5
134.03751	3.8
135.17432	0.7
137.02469	4.0
145.02948	1.9
149.06073	4.7
155.03503	58.4
160.01678	1.8
171.02994	4.8
173.04552	3.8
175.03999	14.9
178.02679	3.8
189.04044	3.0
191.05539	1.4
191.07138	1.3
193.05067	21.6
199.02493	28.9
217.03534	100.0
235.06128	1.0
319.25766	0.7
355.10498	6.1
367.10413	1.0
453.14047	10.5
517.15710	1.2
755.24750	1.1
773.25073	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37919	0.5
59.01379	0.9
60.27675	0.6
62.20683	0.6
71.01388	0.8
72.99303	18.0
74.11920	0.5
81.03463	2.5
81.22365	0.6
83.05023	20.1
85.02905	0.8
90.82641	0.6
93.03460	3.9
101.02422	0.6
111.04514	23.3
115.04006	9.1
127.04010	60.5
129.05574	7.7
134.03740	2.6
137.02444	7.6
145.02969	2.5
149.06088	0.8
155.03506	52.7
160.06871	0.7
164.21747	0.7
171.03026	4.3
173.04559	11.5
189.04105	2.8
191.05649	7.6
191.94101	0.7
193.05052	6.2
199.02507	30.8
217.03549	100.0
291.08762	0.9
351.42123	0.7
367.10330	5.5
755.23853	1.5
773.24835	10.1
791.50513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.267
Annotation	indocyanine green
Peak:m/z	Relative Intensity
59.01360	6.0
71.01358	2.3
77.10365	1.1
85.02918	2.6
89.02422	3.1
90.25616	1.2
101.02374	1.9
103.94067	1.3
113.02431	1.3
121.02910	7.7
122.03649	1.4
134.03752	55.7
135.04517	1.5
137.02374	2.7
137.06044	7.9
139.27733	1.2
149.02425	5.2
149.06067	17.9
149.70987	1.7
150.02106	1.7
150.03214	27.3
160.01593	7.3
164.04741	6.8
165.05569	71.9
165.06960	2.8
167.17781	1.1
175.02866	1.3
175.04018	21.4
178.02731	22.1
180.04211	5.6
193.05067	100.0
195.06654	15.8
198.02287	1.4
205.04961	1.3
209.08134	1.9
225.11374	2.2
250.06282	5.2
267.06561	2.3
269.02765	1.3
282.09006	19.2
297.11234	4.4
326.07813	1.4
341.10245	24.7
371.11313	2.2
389.12488	39.9
555.42371	1.4
577.19250	23.4
773.26459	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
60.13128	0.6
68.99822	5.9
71.01374	6.6
72.99297	0.6
80.79976	0.6
85.02952	0.9
88.69864	0.6
89.02441	9.9
96.61030	0.6
98.59328	0.7
101.02427	4.4
104.71394	0.6
113.02423	4.0
119.03505	3.2
121.02894	0.8
123.00875	1.0
128.45085	0.7
134.03714	3.7
137.02483	1.1
138.03221	8.3
139.03969	1.4
149.05972	0.7
150.03148	2.4
153.01935	3.1
153.05560	19.5
160.01790	1.8
163.04051	0.7
164.04689	1.0
165.01913	1.0
165.05606	4.9
175.00427	1.0
175.03983	5.4
176.01149	8.1
177.01968	0.9
178.02748	5.3
179.07124	0.8
180.04350	2.7
190.02625	0.9
191.03522	13.5
192.04317	4.7
193.01466	9.1
193.05051	16.8
195.06627	3.9
203.07091	0.7
205.05046	1.3
207.06642	25.9
208.03783	31.8
209.04538	1.3
223.06125	33.3
308.10556	0.8
324.10080	3.3
339.12332	3.3
341.10245	2.5
389.12271	3.0
398.01892	0.7
547.18457	1.3
577.19348	2.6
623.92065	0.7
773.26685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84309	3.8
85.70470	6.0
92.23101	5.9
133.01463	20.8
148.37305	4.9
148.61591	4.6
164.98566	4.7
197.40932	4.8
205.08653	22.5
208.07425	20.7
215.50409	5.2
256.94034	5.2
288.32861	5.3
359.15109	100.0
389.16147	12.0
452.09903	5.7
512.39410	5.4
551.21698	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05202	1.0
85.36582	1.2
90.09634	1.0
104.27641	1.0
134.03720	17.4
149.06082	18.9
154.32494	1.1
178.02722	28.6
183.72154	1.2
193.05078	100.0
222.47586	1.6
355.10339	36.5
355.14554	1.4
676.92664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28226	1.0
80.52283	1.2
84.15929	1.2
85.02930	1.8
87.00883	2.8
89.80000	1.2
92.35948	1.7
93.03433	20.3
94.70215	1.4
111.04493	5.4
121.18819	1.4
134.03725	2.2
173.04538	8.7
191.05632	100.0
193.05051	7.3
367.10367	58.1
368.10855	2.2
580.51379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96196	0.6
61.16079	0.7
78.95897	6.9
79.95726	0.6
94.98096	5.4
96.96007	100.0
96.96913	10.6
152.99603	2.8
195.38889	0.7
277.21805	0.8
305.80756	0.7
311.09256	0.7
773.43280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.6
65.98417	1.1
66.48988	1.0
71.01378	8.7
73.02943	2.0
85.02970	2.3
87.00847	1.7
89.02438	6.4
97.02961	2.8
101.02467	14.0
113.02425	3.0
115.03999	9.8
116.74842	1.4
119.03508	2.8
149.14119	1.2
150.06833	6.5
161.04579	2.6
175.18617	1.2
179.10760	5.0
191.50154	1.3
205.04918	1.5
231.79475	1.4
271.58655	1.3
333.20819	6.6
351.22018	3.1
369.77090	1.5
449.14139	2.0
478.82236	1.4
479.33737	2.0
495.25909	1.4
506.32404	1.7
513.27148	9.8
518.11023	1.6
524.33942	1.8
525.34271	6.6
551.18195	1.8
598.77179	1.4
657.30865	3.0
675.32532	23.1
723.64978	1.5
729.40814	21.1
773.36188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.7
59.75022	0.8
60.07836	0.7
60.72109	0.8
67.12570	0.8
71.01379	22.0
73.02980	1.9
84.82573	1.0
85.02957	2.1
87.04551	1.4
89.02438	25.8
90.48695	1.0
95.01425	1.0
101.02421	13.6
113.02436	11.7
118.96377	1.0
119.03507	11.4
121.02999	1.1
121.75607	0.9
134.03738	15.8
149.02568	2.3
149.06163	5.8
150.03198	10.3
161.13414	1.0
163.11378	5.3
164.04861	4.5
165.05547	21.5
172.26114	1.1
175.04100	6.2
178.02715	8.1
179.05716	1.2
180.04488	1.0
181.12340	42.5
193.05038	33.9
195.06822	4.5
195.14061	5.0
207.10300	7.9
223.06288	1.7
225.09258	3.2
225.11330	100.0
239.12935	8.4
256.72000	1.2
267.12381	18.1
271.11200	1.1
282.08966	1.3
304.82574	1.0
387.17026	4.9
389.12817	6.2
405.17654	9.7
447.18884	1.5
488.28882	1.1
507.20840	8.7
549.22302	5.1
567.23059	35.5
577.19324	15.7
593.29889	2.1
656.23645	1.1
773.37079	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
60.35081	0.5
71.91798	0.5
88.95748	0.5
100.06775	0.6
132.06049	0.6
205.19505	0.6
218.11076	0.6
224.30145	0.6
231.17548	1.0
249.18614	100.0
277.21762	8.1
298.60431	0.6
323.84457	0.6
387.39517	0.7
477.13763	0.6
695.95044	0.6
791.85315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77836	0.3
59.01367	0.5
66.20310	0.4
67.96879	0.4
71.01374	1.6
71.04647	0.4
78.95902	2.0
89.02409	1.5
101.02422	1.6
102.37606	0.4
130.62254	0.5
152.99606	1.7
191.05656	0.9
235.08321	0.8
238.17653	0.5
253.09311	7.1
253.21748	100.0
255.23404	0.8
279.23352	1.5
280.52933	0.5
283.26443	68.3
308.39291	0.4
519.35455	10.4
689.14587	0.4
773.49487	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.6
60.18460	6.9
66.49089	7.5
74.55176	8.6
84.41766	7.5
89.02423	6.9
101.02466	8.8
110.77800	7.6
113.02513	8.0
118.85963	7.2
260.56729	7.6
282.53543	8.5
294.39063	8.5
413.27155	8.6
714.55176	100.0
772.55914	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
59.01385	100.0
62.73863	1.2
66.65350	1.0
71.01385	32.5
72.99337	1.1
73.02943	9.3
83.01395	5.4
84.73983	1.1
85.02939	17.7
87.96784	1.1
91.07435	1.2
95.01389	1.5
99.00861	4.7
101.02431	16.5
113.02487	10.1
115.04059	1.1
117.43146	1.1
118.45110	1.1
159.02997	2.2
161.04559	25.2
163.82004	1.2
164.04797	1.2
190.02661	1.8
200.55544	1.3
205.05103	2.0
206.21483	1.2
299.14783	1.3
300.10034	1.6
356.12598	2.0
383.15375	2.1
484.04990	1.3
535.18256	6.5
605.22736	5.6
668.67273	1.5
775.33685	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	2.3
59.01385	53.3
66.85120	1.1
71.01370	21.8
73.34460	1.3
85.02927	5.7
89.02441	34.7
97.02948	15.3
100.85003	1.5
101.02424	23.8
113.02445	10.2
115.04007	31.7
119.03479	18.0
127.31821	1.3
142.20998	1.4
179.05609	2.3
253.17430	1.3
277.09299	22.8
333.71951	1.4
360.14847	1.6
366.97836	1.5
375.13000	100.0
482.59918	1.5
614.50946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
62.50418	0.8
71.01378	7.1
74.14949	0.7
75.00861	8.8
78.14639	0.8
80.69246	0.7
85.02953	11.0
87.00879	4.3
89.02428	3.1
95.01410	2.9
99.00899	6.1
103.00366	1.6
113.02449	25.2
117.01937	1.3
119.05016	15.9
125.19681	0.7
128.53246	0.8
129.01970	1.0
145.02963	17.9
157.01285	0.9
163.02640	1.2
163.04015	32.3
175.02515	1.7
189.05690	0.8
191.05605	2.9
193.04996	1.2
207.05135	1.4
217.08713	1.5
231.05138	1.3
234.56163	0.8
237.07715	5.5
249.06158	20.9
261.07614	1.4
267.07233	68.7
367.10522	1.3
413.10910	5.1
775.26776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
60.25525	1.0
68.11066	1.0
71.01382	6.6
72.99306	1.0
75.00873	8.0
79.63125	1.0
85.02499	1.2
85.02941	8.5
87.00884	4.1
89.02422	2.4
93.03436	1.3
95.01382	2.4
99.00874	6.7
103.00384	1.9
113.02433	22.7
114.21648	1.0
117.01929	2.1
119.05021	19.0
135.02995	1.2
145.02930	15.6
147.67551	1.0
150.66028	1.1
161.02336	1.0
163.04013	45.0
170.16991	1.2
173.09729	1.2
175.02477	2.5
189.05522	2.1
191.05600	5.4
207.05135	2.2
217.08733	1.0
220.18889	1.1
231.05074	1.4
237.07703	5.3
249.06155	24.3
259.26038	1.1
261.07648	1.5
267.07224	65.3
267.10077	2.3
281.06696	1.5
287.43353	1.0
300.02713	1.3
334.59528	1.1
351.10733	1.3
413.10486	3.4
648.52277	1.1
775.26764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03989	0.8
59.01379	5.9
62.24276	0.8
64.90476	0.8
71.01374	7.5
72.99317	1.3
75.00871	6.8
76.16734	1.0
78.00718	1.0
85.02946	8.9
87.00855	5.3
89.02438	2.4
90.84956	0.9
95.01363	1.6
97.71037	1.1
98.17880	0.9
99.00884	5.6
101.02391	1.1
113.02446	21.3
117.01983	1.2
119.05019	12.3
128.11905	0.9
131.12494	1.0
134.03706	4.7
135.02985	9.8
145.02954	14.0
149.06099	1.3
160.01646	1.1
163.04010	32.3
165.22638	1.1
170.66016	1.1
175.02594	2.3
175.04002	20.4
191.05603	6.1
193.05083	11.7
207.05173	1.6
219.01974	0.9
237.07693	6.4
249.06192	20.9
267.07230	62.6
270.77774	0.9
284.38562	1.0
297.06204	2.0
301.10767	2.4
413.11121	1.8
455.15686	22.5
497.46173	1.2
572.36121	1.0
636.35919	1.0
775.26776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23753	0.5
59.01385	6.4
60.52290	0.7
71.00262	0.7
71.01382	9.8
72.99301	1.1
73.02937	1.1
74.13448	0.7
75.00883	6.6
81.50247	0.7
85.02947	9.0
87.00858	4.1
89.02443	3.9
95.01385	3.0
99.00874	5.8
101.02410	1.0
101.36497	0.7
103.00333	1.4
111.67063	0.7
113.02449	27.9
115.00374	1.2
117.01907	1.6
119.04273	1.1
119.05018	17.3
127.03960	2.7
129.01895	1.2
134.03683	1.3
145.02956	16.2
157.01402	1.1
163.04016	37.5
173.04575	3.6
175.02469	1.1
189.05544	1.1
191.05627	3.0
193.05054	5.6
207.05095	2.8
217.08751	1.1
231.05165	1.3
237.07742	5.8
249.06151	19.8
267.07230	69.1
304.91754	0.8
413.10852	3.5
775.26770	100.0
803.45605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.9
69.45755	1.8
109.35236	1.7
111.00851	9.6
137.02422	8.6
147.40010	2.3
149.02422	4.0
150.03226	43.5
152.04776	4.3
153.05545	3.0
156.14104	2.1
157.99014	2.2
164.04770	4.7
165.05565	96.9
166.02628	15.9
176.81772	1.8
177.05507	2.5
180.04231	7.7
181.05070	38.8
192.04329	2.7
193.05020	4.5
195.06613	22.7
205.05081	3.7
207.06557	2.4
220.07411	10.7
223.06017	2.9
245.79538	2.0
387.10880	7.8
402.13425	4.4
417.15402	18.7
454.75259	1.9
454.82303	2.4
535.16345	2.7
565.20831	21.2
595.22034	3.1
613.22998	100.0
770.28503	2.2
775.26990	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.8
71.01378	89.1
71.76310	1.3
72.99316	10.0
73.02949	1.8
85.02958	2.0
89.02447	13.0
99.00851	1.6
101.02444	20.9
113.02468	12.5
115.00393	11.3
119.03513	9.0
128.70255	1.5
143.03510	1.3
161.04565	15.5
263.11353	37.0
275.03094	1.4
361.11453	7.9
379.12485	100.0
395.23322	1.4
497.06058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16642	0.3
64.80648	0.3
72.62522	0.3
77.15621	0.4
78.20679	0.4
80.36107	0.5
89.02476	0.4
91.58396	0.4
92.73438	0.4
105.68415	0.4
106.53214	0.4
109.38912	0.4
111.00878	0.8
116.23602	0.4
122.85655	0.4
123.04518	26.2
135.04404	0.5
135.37248	0.4
140.71172	0.4
153.05569	100.0
224.72432	0.5
230.80791	0.5
250.49063	0.5
315.10886	24.0
330.67120	0.5
402.22198	0.4
403.15744	0.4
413.14606	14.0
450.85864	0.5
563.52948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82397	0.5
63.23508	0.5
78.95906	6.4
79.95712	2.2
94.98080	2.9
96.96003	100.0
96.96920	12.8
96.97607	1.7
152.99605	1.2
230.03630	0.7
332.72128	0.7
433.23181	0.8
679.20752	0.7
708.96576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90536	0.2
59.97897	0.2
68.64128	0.2
69.88367	0.2
70.20721	0.2
79.95712	1.7
92.23035	0.3
96.96008	100.0
108.49173	0.3
130.22235	0.2
131.80034	0.3
166.93021	0.2
242.33463	0.2
273.38223	0.3
428.37958	0.2
775.46460	8.0
775.59442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.77745	1.7
81.73600	2.0
92.22855	9.4
96.43849	2.2
124.95290	2.0
129.18471	1.9
141.12708	2.3
209.02956	2.3
319.15085	2.3
376.61960	2.5
391.23465	2.4
460.20514	2.3
640.62079	2.4
654.59717	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68779	0.6
63.43613	0.7
72.99303	52.8
74.20174	0.6
93.84059	0.7
102.58035	0.7
119.40530	0.8
123.04498	13.7
135.04520	15.1
138.43625	0.7
151.03987	3.5
160.34718	0.7
179.01907	1.6
179.03500	57.8
197.04565	100.0
359.09836	24.1
457.13586	83.3
457.18530	1.4
466.26959	0.8
776.22156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82729	0.4
72.99303	52.3
80.72462	0.5
115.03983	0.5
123.04517	11.9
135.04530	15.6
147.34396	0.5
151.04018	2.7
152.21194	0.5
168.16176	0.5
170.81477	0.4
179.03505	57.9
197.04567	100.0
262.36853	0.6
302.82010	0.6
307.48700	0.6
341.09143	0.6
347.43765	0.5
359.09869	20.8
410.42511	0.5
457.13593	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69296	0.2
80.05902	0.3
160.04044	100.0
204.03040	5.4
310.22104	0.3
366.08331	48.3
399.25104	0.3
517.36359	0.3
656.54779	0.3
688.61450	0.3
776.21851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32464	1.2
63.48524	1.3
78.95899	20.9
84.39013	1.4
92.22534	1.7
121.19070	1.5
134.29953	1.4
138.80055	1.6
152.99588	100.0
196.03770	7.9
238.04686	1.5
255.23303	94.4
311.56128	1.5
358.60126	1.7
363.17603	1.5
364.94629	1.7
396.85419	1.6
452.28006	7.8
627.26721	1.8
666.24872	1.7
776.38513	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.6055
Annotation	Unknow
Peak:m/z	Relative Intensity
84.97369	0.5
86.11835	0.4
88.39276	0.4
96.74611	0.5
96.83497	0.5
97.23389	0.5
112.03925	0.5
114.74979	0.5
117.06947	0.5
129.42831	0.5
199.65584	0.5
322.80002	0.6
487.34344	100.0
671.69745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01380	0.9
60.57320	0.4
65.47701	0.3
67.01884	0.7
68.46172	0.4
71.01377	0.9
71.20849	0.3
85.02962	0.8
85.79626	0.4
86.70187	0.4
87.00845	0.7
93.03452	8.3
111.00866	0.4
111.04537	3.1
127.04025	0.7
128.11928	0.4
135.04524	38.2
137.02428	5.1
155.03508	7.0
161.02457	3.1
173.04553	99.1
174.31824	0.4
179.03506	75.1
186.90039	0.4
191.05632	42.7
353.08829	100.0
777.24207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01380	0.9
60.57320	0.4
65.47701	0.3
67.01884	0.7
68.46172	0.4
71.01377	0.9
71.20849	0.3
85.02962	0.8
85.79626	0.4
86.70187	0.4
87.00845	0.7
93.03452	8.3
111.00866	0.4
111.04537	3.1
127.04025	0.7
128.11928	0.4
135.04524	38.2
137.02428	5.1
155.03508	7.0
161.02457	3.1
173.04553	99.1
174.31824	0.4
179.03506	75.1
186.90039	0.4
191.05632	42.7
353.08829	100.0
777.24207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75383	1.5
59.01381	8.8
71.01377	3.2
72.99300	2.0
79.35201	1.8
87.00854	1.8
96.95990	2.5
101.02386	3.9
123.89095	1.6
135.04495	2.6
137.02473	1.6
139.00363	3.5
149.02415	7.5
150.03221	2.9
153.01938	46.1
154.02698	16.6
163.04042	2.0
164.04774	11.3
165.05580	1.9
168.04271	29.9
169.04996	15.5
176.01151	13.1
179.03493	2.0
183.06606	2.1
190.02702	22.3
191.03525	30.0
191.05621	91.3
191.07317	3.5
194.02206	3.2
195.02905	1.8
197.04518	2.3
205.05067	65.9
209.04526	13.1
223.06017	15.1
281.18829	1.7
290.25070	1.8
353.08575	3.1
367.10373	3.8
470.14005	1.8
479.23102	1.8
536.15308	7.7
537.16168	100.0
777.24841	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38437	1.2
59.01384	3.2
62.31966	1.2
63.55005	1.2
68.50215	1.2
71.01384	18.9
72.99310	5.5
85.02954	5.8
88.60098	1.5
89.02443	1.9
93.03437	2.1
97.02934	18.7
101.02452	2.1
113.02443	2.3
114.93404	14.1
115.00353	2.3
115.04003	100.0
131.32411	1.5
135.22115	1.5
147.04578	1.5
149.02420	13.6
150.03212	18.5
161.04576	2.3
164.04793	38.0
165.05626	5.4
179.07080	3.5
190.02632	2.0
191.05644	8.4
196.57086	1.5
205.04997	11.7
209.04637	2.2
223.06133	54.5
367.11865	1.7
371.11456	6.9
376.88141	1.5
542.66199	1.9
567.20984	16.0
605.07605	1.5
759.24951	1.7
777.26550	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01437	1.5
59.01100	2.9
59.01379	56.6
68.12056	1.7
71.01380	26.2
71.43018	1.7
72.81238	1.8
80.43259	1.7
87.00866	10.4
89.02444	40.3
97.02928	2.1
101.02445	18.4
113.02450	9.9
115.03999	25.0
119.03497	12.5
126.54216	2.0
141.50200	1.9
158.72453	1.9
162.03160	4.7
165.05669	2.7
177.05576	3.3
179.05690	2.9
192.04323	2.1
193.05148	2.6
207.06657	2.2
312.15750	2.1
407.67017	2.1
510.21512	2.2
531.18848	10.4
629.22290	2.9
646.47717	2.1
663.40051	2.2
679.22528	23.3
756.73651	2.3
777.26453	100.0
797.96619	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80362	0.7
56.14868	0.7
59.01148	0.9
59.01388	14.8
71.01382	9.9
78.67075	0.8
80.59419	0.8
82.61764	0.9
85.02957	1.7
89.02454	9.4
92.22501	1.2
96.95962	0.9
97.02924	1.0
101.02467	8.9
102.92580	0.9
113.02418	4.2
113.05931	0.9
115.03985	6.6
119.03477	3.5
121.02951	1.3
122.03712	1.4
149.02379	4.6
150.03235	21.7
151.03957	1.4
163.03979	4.0
164.04817	12.1
165.05576	9.2
166.02657	1.2
177.05583	1.6
178.06352	0.9
179.05588	1.0
183.06587	1.0
190.02731	28.4
191.05626	1.2
205.05080	100.0
207.02859	1.4
209.04584	1.7
222.05365	1.5
223.06142	10.2
239.66287	0.9
247.09792	0.9
280.07416	1.0
371.11334	8.3
469.17178	27.6
567.20746	13.2
594.84540	0.9
617.22455	8.9
625.73792	1.0
641.54498	1.0
679.23059	1.2
683.18188	1.0
777.26111	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81274	4.5
56.70366	3.9
59.01383	31.6
61.98853	4.7
67.00494	4.1
69.76591	4.1
71.01392	8.3
88.98819	4.9
89.02448	7.7
92.26100	4.8
101.02464	5.8
111.97586	5.5
152.60211	5.7
191.05644	11.2
228.00455	4.4
248.73128	4.6
309.08163	11.9
309.11411	27.9
324.10406	15.1
352.99866	5.4
367.19257	4.7
368.09192	35.2
383.11368	23.8
439.49435	5.8
500.80704	4.6
572.07867	5.4
583.18573	9.0
599.17731	10.6
629.22278	26.9
717.24005	8.8
777.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	90.0
61.98875	1.3
68.28351	1.4
71.01388	2.1
84.39978	1.4
101.02437	5.8
113.02499	1.6
115.03988	2.3
119.03506	1.9
146.41649	1.4
191.03757	1.9
191.05560	12.5
285.21112	1.6
311.09265	8.9
326.11636	40.7
341.13971	19.5
355.08264	5.4
370.10654	13.9
385.12906	22.9
415.13928	12.0
457.15094	100.0
499.16068	5.8
777.16766	10.4
777.37994	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99880	2.4
88.50471	2.6
88.92846	2.6
95.19794	3.1
108.02180	5.0
131.99014	3.1
145.02846	3.1
149.02426	3.3
150.03261	32.9
163.04065	4.0
164.04836	4.9
165.05544	38.7
175.04008	11.6
177.05559	7.3
178.02750	6.4
183.37003	3.1
186.11458	3.8
190.06351	13.5
193.05042	5.2
195.06650	15.0
205.05058	4.9
207.06694	3.6
222.05373	14.6
286.59036	3.5
296.38577	3.4
307.06104	6.1
309.07764	4.0
321.07684	67.9
322.08612	13.3
324.06305	7.0
324.09991	5.9
325.07266	46.3
336.10013	19.1
337.07214	78.1
337.10922	5.0
339.08679	55.8
340.09641	49.1
343.11783	3.5
352.09549	20.6
354.11050	17.1
355.08276	4.9
355.11942	49.4
367.11905	100.0
385.12787	4.4
518.66431	3.6
558.01349	3.5
581.20502	32.1
615.21417	5.3
699.24451	13.2
729.25537	28.9
747.26593	11.8
749.90088	3.5
777.27509	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59675	1.2
59.01381	72.4
59.63948	1.2
64.38783	1.0
71.01375	32.8
79.43711	1.5
79.47121	1.0
83.01405	1.5
83.40215	1.1
85.02962	1.8
89.02438	56.3
92.23126	1.9
97.02920	1.8
99.05402	1.3
100.04913	1.2
101.02431	33.9
103.88675	1.1
113.02431	16.9
115.04000	26.5
119.03493	30.0
135.15198	1.2
149.04343	1.5
153.54210	1.2
179.05586	5.2
279.10883	61.2
377.14575	100.0
731.80768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01377	1.4
67.01891	0.6
71.01385	1.6
78.51559	0.4
93.03446	8.3
111.00886	0.3
111.04512	3.3
113.02452	0.3
119.05024	6.3
137.02448	4.2
143.26848	0.4
155.03499	5.1
155.97397	0.3
163.04016	18.8
165.07536	0.3
173.04549	100.0
179.03410	0.4
191.05751	2.6
193.05110	0.4
239.09253	0.6
272.29306	0.3
337.09341	51.4
376.11337	0.4
457.04510	0.4
777.22992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20795	0.2
69.93566	0.2
71.05013	4.6
76.55463	0.3
79.78312	0.2
83.05032	0.4
99.08133	0.5
100.58941	0.2
110.17241	0.2
125.09718	0.9
127.11279	30.3
152.46136	0.3
153.09190	6.6
171.10263	100.0
251.80046	0.3
271.17004	0.3
310.37561	0.3
389.95807	0.3
408.26645	0.6
409.27679	0.3
571.32739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
59.01386	31.8
63.40138	0.7
71.01379	13.7
73.02940	3.9
84.44913	0.7
85.02940	5.2
89.02443	15.1
95.01415	1.3
101.02442	11.4
108.11414	0.9
113.02448	9.3
119.03494	3.9
161.04552	1.7
163.11324	5.9
181.12355	41.2
186.41008	0.8
191.05641	4.0
201.11313	1.1
204.49635	0.9
207.10281	1.2
216.46893	0.9
225.11337	13.7
243.12357	1.7
277.14053	0.9
292.09634	1.1
558.98212	0.9
597.32825	19.9
777.39362	100.0
779.48163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.75638	2.7
65.56840	3.1
67.21646	2.6
76.89486	3.0
146.16396	3.2
167.30280	2.7
169.23816	3.0
178.17392	3.1
194.08992	3.2
207.15112	3.0
373.23236	3.2
534.61652	3.4
610.44012	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81937	2.7
61.98829	100.0
64.45572	3.0
68.29161	2.7
78.27178	3.0
90.30486	3.1
94.68929	3.3
100.25651	3.1
218.12822	3.2
228.70779	3.1
646.75378	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.2
71.01376	9.1
71.30189	0.8
75.00870	5.8
85.02959	8.0
87.00899	1.7
89.02409	3.4
95.01370	1.8
99.00869	4.8
103.00387	1.1
113.02438	21.5
117.01924	1.2
129.01903	0.9
134.03726	14.4
149.06078	3.7
161.02460	1.1
175.03967	6.8
193.05060	32.5
207.05052	1.5
249.06212	15.3
260.33557	1.0
267.07132	32.9
287.87350	0.9
443.12006	100.0
778.23364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91689	0.5
59.01393	0.5
71.82089	0.6
72.99300	30.6
73.85306	0.7
84.23482	0.7
92.23109	0.8
95.98314	0.7
106.00092	0.6
111.00887	0.7
113.02430	0.9
113.99199	0.6
123.04508	7.9
134.03725	1.3
135.04524	7.8
149.06067	5.1
151.06174	1.4
175.47568	0.6
179.03496	34.0
197.04562	100.0
323.59726	0.7
326.89447	0.7
327.85941	0.8
338.30835	0.8
359.09872	75.5
600.93048	0.7
779.24890	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
60.99308	12.0
71.01385	1.4
75.80121	0.8
82.21252	0.7
87.00871	1.8
88.98792	100.0
89.02423	14.6
101.02431	1.2
112.55178	0.6
115.04016	0.9
116.92855	1.3
171.06830	0.8
217.12259	1.1
228.11662	1.0
231.53734	0.7
256.14664	5.3
258.16174	1.1
270.16223	1.0
271.16931	5.9
272.17892	0.8
273.18433	1.1
326.22415	5.4
340.20453	1.5
341.24823	3.1
342.22015	3.4
355.22733	2.8
368.23425	1.0
381.27524	0.8
393.27917	5.1
410.28271	20.7
411.29044	43.7
474.39365	0.7
488.44684	0.8
573.34283	18.6
779.36835	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	8.2
72.99296	1.8
99.81833	1.2
108.35869	1.2
114.99603	2.1
115.00361	42.9
128.03513	7.7
133.01427	100.0
143.04585	6.0
210.08742	1.4
254.07855	1.3
259.95758	1.4
272.08890	2.2
305.02115	1.8
306.07700	13.8
311.20166	1.3
333.18405	1.5
603.12073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.45653	0.3
72.21408	0.3
72.99277	0.3
91.08048	0.3
100.33405	0.3
123.00872	1.4
138.03230	6.0
141.03476	0.3
147.37247	0.3
153.05577	5.6
166.99872	1.5
179.03560	0.4
182.02220	28.5
191.05586	1.3
197.04565	100.0
359.09891	12.3
532.77942	0.3
779.26294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.45653	0.3
72.21408	0.3
72.99277	0.3
91.08048	0.3
100.33405	0.3
123.00872	1.4
138.03230	6.0
141.03476	0.3
147.37247	0.3
153.05577	5.6
166.99872	1.5
179.03560	0.4
182.02220	28.5
191.05586	1.3
197.04565	100.0
359.09891	12.3
532.77942	0.3
779.26294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47759	0.3
59.01369	0.8
72.99299	3.3
74.35773	0.4
75.00868	100.0
99.40254	0.4
163.50304	0.4
181.96310	0.5
253.12463	0.4
446.52237	0.5
671.59802	0.5
779.35535	0.6
808.15729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54058	1.7
58.12140	1.4
59.01380	97.1
59.84272	1.4
62.55546	1.5
65.49457	1.6
66.33616	1.6
71.01373	41.9
73.02925	12.6
83.01405	3.0
84.89202	1.9
85.02954	3.8
89.02435	68.2
93.06607	1.6
101.02432	48.5
103.03976	2.2
113.02452	27.2
119.03477	27.6
125.91473	1.6
127.04013	2.9
131.03505	11.3
143.03522	2.4
145.05072	7.3
149.04517	14.4
149.43742	1.8
168.04214	2.1
171.65781	1.8
191.05609	11.8
197.04546	2.4
205.07140	11.0
224.40079	1.7
233.06604	3.2
257.11447	3.5
259.83121	1.9
279.10864	100.0
320.80881	1.8
349.11334	34.5
365.93457	1.9
499.16830	8.8
779.27344	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
78.66452	2.0
91.06384	1.9
91.74189	1.7
108.90408	2.0
116.92896	2.6
122.03743	4.0
149.02432	16.6
150.02113	3.5
150.03229	61.6
164.04779	12.7
165.05559	83.8
175.04070	3.3
177.05518	2.3
179.07169	4.7
179.87122	1.9
180.04283	4.1
190.06363	8.5
191.05632	13.9
192.05963	3.1
195.06657	32.2
219.08763	1.9
222.05284	2.6
253.08919	2.6
283.09677	8.4
298.08405	4.4
304.44720	2.2
309.07730	8.8
311.09354	9.5
312.10016	3.9
313.10803	15.7
322.08557	13.9
323.09262	32.2
324.06500	4.7
324.10043	24.5
326.08099	4.6
326.11609	3.3
327.08838	54.0
327.12415	5.5
328.09457	3.3
337.10660	2.5
338.11670	14.9
339.08762	100.0
339.12402	12.8
341.10226	27.3
342.11090	82.5
343.11996	27.6
354.11111	26.8
356.12692	8.5
357.13461	82.7
359.71664	2.1
369.13437	77.4
387.14706	2.9
391.13962	13.5
485.54691	2.4
535.19824	16.0
583.21844	31.8
731.27228	84.0
761.28644	3.0
779.28961	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71988	1.4
116.92854	7.1
120.33234	1.9
122.03716	3.2
123.04508	3.1
136.01634	11.5
136.49840	1.7
149.02438	10.3
149.06200	1.7
150.03215	53.8
151.04001	37.7
154.77945	1.8
164.04811	9.3
165.05573	100.0
166.02710	9.7
180.04283	9.5
181.05084	21.9
193.05067	7.3
195.06653	35.0
198.64346	1.6
200.55771	1.9
211.86552	2.0
266.59375	2.0
277.81134	2.2
307.49277	1.8
315.83667	2.1
343.11835	16.1
357.09851	8.5
357.13669	3.2
372.11954	6.2
373.13461	5.6
387.14523	29.4
391.14001	10.3
535.19934	11.3
583.21704	16.9
731.27209	11.8
761.27472	3.8
779.28906	31.8
804.73926	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77794	1.0
59.01379	1.2
71.01374	1.8
75.87304	0.8
76.14966	1.0
76.50459	1.1
88.98785	1.5
89.02419	1.5
101.02425	1.2
104.70892	0.9
134.18616	0.9
150.03154	1.2
151.49329	0.9
165.05626	3.9
217.12419	1.7
218.59383	1.0
227.10799	3.8
228.11591	1.1
229.12366	1.2
256.14612	8.6
258.16263	4.2
270.16296	3.5
271.17111	13.3
272.17920	1.6
273.18594	1.7
283.17010	1.0
284.17792	2.1
324.21072	1.9
325.21887	1.2
326.22498	13.2
330.94635	1.1
340.20526	3.5
342.21945	5.7
355.22803	5.5
356.23590	1.1
367.22568	1.6
368.23535	2.0
381.28134	1.6
393.28171	12.4
396.26779	1.3
410.28271	34.3
411.29099	100.0
573.34381	35.4
689.30133	1.1
779.39246	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	34.5
61.98832	22.7
63.94719	2.8
71.01382	20.6
73.37506	3.8
86.66395	3.4
89.02448	15.6
101.02419	15.4
102.31722	3.2
110.68221	3.1
113.02448	7.3
114.05229	3.4
130.22090	3.0
203.10783	5.9
208.57407	3.4
256.14697	4.4
257.15570	3.8
258.16290	27.5
271.16910	4.7
326.22525	5.9
350.08057	3.8
504.27350	14.5
572.33099	5.2
573.34467	21.6
599.32294	20.1
779.38684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14867	3.4
59.01388	31.0
60.32682	3.4
71.01379	19.2
71.87589	3.2
84.69345	3.3
89.02444	23.5
93.80344	3.2
98.37385	3.2
101.02427	20.4
112.21277	3.5
119.03513	4.1
132.18045	3.4
194.40306	3.5
203.10765	4.1
223.36273	4.1
256.14801	8.1
258.16318	22.0
271.16928	7.1
309.36282	4.0
325.21826	6.0
341.25073	8.7
410.28412	18.6
411.29184	28.9
504.27319	14.4
539.53033	4.2
555.33368	17.7
573.34485	50.3
735.39886	20.5
779.38898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.8
63.08171	2.2
65.39210	2.1
66.66061	2.0
67.31366	1.9
71.01393	18.8
78.95896	3.7
85.02929	4.5
85.94695	2.5
89.02447	20.4
101.02428	16.1
106.57458	2.2
113.02453	5.9
256.14694	4.0
258.16257	20.7
272.23688	2.6
303.25223	2.4
326.22430	3.5
355.66257	2.7
363.14462	2.6
381.67816	2.7
411.29199	3.7
436.21213	3.7
437.27097	3.9
455.27991	2.9
573.34308	18.3
617.33380	23.7
779.38837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.3
60.99311	1.4
63.37365	0.9
71.01385	4.6
72.13010	1.0
73.02951	1.4
88.98798	17.2
89.02448	5.8
101.02405	4.8
103.13298	1.1
111.00875	1.4
113.02404	4.5
116.92829	1.6
117.64163	1.2
150.03307	1.1
151.04051	1.3
161.04613	1.4
161.88382	1.3
165.05486	1.7
217.12401	1.7
221.28812	1.2
227.10782	1.6
228.11641	1.5
256.14722	13.8
258.16382	8.5
270.16269	6.5
271.17023	14.9
272.17883	4.5
273.18820	1.8
275.10516	1.1
283.17056	2.1
284.17798	5.7
285.18616	10.4
323.23773	4.9
340.20441	5.0
341.24905	28.6
342.22067	7.5
355.22806	7.1
367.22946	1.7
368.23587	4.9
393.28024	17.2
410.28339	61.8
410.33667	2.3
411.29077	100.0
448.59433	1.8
573.34454	58.7
672.74585	1.4
779.38721	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	0.6
59.01106	1.0
59.01381	21.9
68.98562	0.4
75.48464	0.5
97.02947	0.8
115.03988	0.9
121.39088	0.5
191.02797	0.7
255.23273	1.3
277.21741	100.0
357.94922	0.6
375.25577	0.5
520.21484	0.5
736.25842	0.6
779.51080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10217	0.5
67.52077	0.6
78.95455	1.5
78.95901	32.6
79.34325	0.7
96.95996	2.7
96.96957	2.7
100.20921	0.6
100.99353	0.6
133.94461	0.6
152.99583	100.0
171.00650	2.9
283.26437	2.5
437.26779	56.5
448.08298	0.8
505.09570	0.7
544.80383	0.7
566.03192	0.8
669.40521	0.7
777.14075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
59.91569	1.0
70.02980	12.6
72.00909	5.8
82.95251	1.2
95.02495	1.8
96.00911	19.8
99.00854	1.4
100.04067	2.2
101.48029	1.0
113.03568	35.8
114.01961	57.9
114.02766	2.0
123.05667	7.8
124.04058	1.6
125.03574	1.7
125.04456	1.2
131.04616	100.0
132.03033	13.7
142.05025	1.5
143.04593	10.2
149.03561	9.4
157.06139	5.0
167.04601	9.5
183.04176	1.1
185.05661	2.7
187.03563	1.6
191.05685	4.6
193.02592	8.2
211.03639	39.6
229.04668	60.6
237.51167	1.3
247.05722	91.3
261.07397	1.5
326.10352	6.7
365.48819	1.2
403.34216	1.2
466.61166	1.3
532.14417	1.5
637.11646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
71.01398	0.7
72.99300	7.4
78.95901	59.0
89.02425	2.4
96.96954	78.8
98.16024	0.7
123.04504	0.9
135.04494	1.2
136.17220	0.7
138.98026	1.4
142.94072	0.7
150.98019	13.4
151.04012	6.5
164.62480	0.7
167.92130	0.8
179.03488	16.8
184.58548	0.7
197.04572	58.8
223.00192	6.8
239.05618	1.3
241.01196	37.1
259.02249	13.4
341.12183	0.9
359.09747	1.1
421.07584	100.0
439.08630	6.0
521.15356	4.4
665.20801	0.8
683.08295	1.3
683.20526	35.0
683.32446	1.2
717.36316	0.8
781.17810	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22445	0.3
56.60073	0.3
57.24026	0.4
59.46192	0.4
73.57410	0.4
78.95901	21.8
78.96371	0.8
83.79067	0.5
96.35001	0.4
96.96951	100.0
301.07593	0.4
439.08652	43.8
484.69089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00422	0.5
55.14626	0.6
60.09564	0.5
69.30543	0.6
78.95905	22.4
96.96955	100.0
132.52992	0.6
212.02753	0.6
224.04085	0.6
439.08640	49.6
563.31433	1.0
788.05884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01392	0.3
57.58652	0.4
57.62356	0.4
58.08663	0.4
58.27294	0.3
58.75814	0.4
58.78553	0.3
59.01381	2.2
66.97103	0.4
72.99308	2.5
75.00871	4.5
75.11922	0.4
75.51846	0.4
87.00865	4.0
103.00362	1.1
105.01933	100.0
251.07507	0.4
356.44983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
59.01646	0.9
62.65130	0.8
66.98514	0.8
71.01379	6.0
73.85918	0.9
75.00876	5.4
85.02956	8.8
87.00859	6.5
89.02448	2.3
93.03458	17.7
99.00893	2.1
99.04428	0.8
103.00356	1.0
108.02130	0.8
109.02945	1.0
111.03822	1.0
111.04527	3.8
113.02448	18.6
115.00311	1.0
116.38706	0.8
119.05003	10.7
129.01871	1.7
145.02939	8.7
155.03406	1.2
163.03993	27.8
173.04518	13.4
191.05627	95.6
193.05031	9.1
231.05150	1.0
237.07649	2.1
249.06171	14.7
263.39896	0.9
267.07227	43.7
314.73932	1.1
367.10370	37.7
413.10922	100.0
516.37726	1.1
662.93768	1.1
781.23450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
70.83830	0.2
71.01376	0.6
78.85283	0.2
87.00900	0.3
88.96338	0.3
119.58230	0.3
129.01938	2.3
141.07283	0.3
146.09047	0.3
147.03023	2.5
147.04514	20.5
212.89919	0.3
268.01596	0.5
268.03769	16.6
283.06131	100.0
302.01920	0.3
311.72336	0.3
633.18457	0.5
642.87555	0.3
703.89563	0.3
761.62402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03453	7.8
58.28471	0.6
59.01383	8.2
71.01386	1.7
75.00838	0.8
83.01424	0.9
85.02945	100.0
87.00871	0.7
89.02438	0.7
103.00349	1.8
111.00845	3.8
129.01962	6.6
133.05052	1.0
134.03772	1.6
137.02507	0.7
144.78683	0.8
147.02977	7.1
153.81863	0.7
175.06168	0.9
191.01993	34.5
191.05583	1.4
193.05220	1.5
209.03047	4.1
298.03198	0.8
304.74924	0.7
324.78796	0.7
332.56909	0.8
381.37326	0.9
385.07779	50.8
410.92929	0.8
728.32843	0.9
733.23859	0.8
769.73523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.3
59.01387	5.0
63.01373	0.7
69.78948	0.6
71.01387	0.9
78.20299	0.6
83.01364	0.6
84.02174	1.2
85.02948	100.0
93.03436	0.7
99.61634	0.6
103.00334	1.2
111.00880	3.4
122.17326	0.7
129.01944	7.4
134.03737	1.6
147.02997	9.7
148.40034	0.6
151.03995	1.5
154.00032	0.7
172.32382	0.7
173.00867	0.9
173.04576	1.3
191.00273	1.0
191.02005	31.1
191.05643	2.7
193.05042	1.2
195.34727	0.6
209.03078	6.2
211.06195	1.2
249.21059	0.8
367.06754	1.4
384.51593	0.7
385.07739	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82379	0.5
60.99295	1.2
67.01881	1.1
67.74673	0.4
71.01384	1.1
73.32085	0.5
85.02937	1.0
87.00854	5.5
93.03451	22.0
108.02162	1.1
109.02940	2.3
111.04493	4.6
113.02404	1.1
113.32788	0.5
129.01906	0.6
134.03738	2.4
152.01141	5.7
153.01952	2.0
155.03511	1.1
168.98515	0.5
173.04541	11.2
191.05621	100.0
193.05035	7.2
215.00082	0.6
367.10345	62.9
395.02338	0.5
413.10886	10.1
469.01895	0.5
654.09802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
65.91196	0.5
66.20277	0.4
67.01894	0.6
70.59827	0.4
71.01382	1.1
84.73994	0.4
86.70852	0.5
87.00875	0.7
93.03451	8.8
102.72305	0.5
111.00853	0.6
111.04498	3.8
114.13725	0.5
119.05009	5.6
127.04026	1.9
137.02455	3.6
145.02954	1.1
155.03473	6.5
156.73189	0.5
161.02451	2.5
162.22917	0.5
163.04015	20.9
173.04550	100.0
173.40260	0.6
175.48790	0.5
185.58980	0.6
191.05611	5.9
199.02428	0.6
211.07672	2.4
337.09323	45.8
363.73590	0.5
443.16666	3.4
470.98074	0.5
541.43359	0.6
781.24994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22905	1.6
59.01373	6.8
71.01377	3.4
78.84537	1.7
81.11530	1.5
87.00856	2.2
87.96607	1.9
89.02473	3.6
93.03431	19.4
96.95992	7.3
101.02464	2.4
111.04517	2.2
113.02465	2.1
119.03442	2.5
134.03722	10.6
134.99876	2.0
137.02452	3.8
147.29382	2.0
149.06096	2.1
155.03587	1.8
173.04550	100.0
191.05621	66.6
193.05104	16.9
266.28067	1.9
277.09079	2.2
367.10318	77.2
579.93408	2.1
650.28009	2.1
666.47559	2.2
751.27795	2.8
779.48480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01385	100.0
61.79719	0.8
63.70763	1.2
71.01380	34.2
73.02950	9.2
83.01388	2.5
85.02959	10.7
89.02429	13.1
95.01401	2.4
99.00870	1.4
101.02434	22.0
113.02441	18.9
119.03468	4.5
135.79794	1.1
143.03453	4.5
159.03015	5.3
161.04552	36.9
175.03996	4.7
179.05623	6.3
181.04814	1.1
193.04938	1.2
342.11057	1.4
357.13437	8.7
369.13309	8.4
387.14578	1.6
409.69073	1.0
431.17270	5.7
461.18213	8.9
519.18884	1.9
525.22443	1.2
531.18420	8.9
549.20105	8.0
564.62146	1.3
605.22577	1.7
619.23975	2.0
623.23639	19.1
682.73926	1.5
698.43427	1.2
753.70660	1.3
781.35065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01195	0.7
59.01384	1.2
66.28001	0.7
69.98833	0.7
71.01373	1.2
80.68760	0.7
89.02405	0.9
89.85070	0.9
101.21053	0.8
113.02419	1.7
121.02959	1.8
122.03772	1.3
123.73266	0.8
135.04480	1.4
147.04527	1.3
149.02458	20.9
150.03224	41.1
151.03793	1.1
152.01146	1.7
163.03996	1.2
164.04802	43.6
165.05563	100.0
179.07162	11.2
180.04300	11.5
184.23087	0.8
190.02753	6.7
193.01384	2.0
195.06625	27.2
205.05013	15.3
208.03783	49.5
209.90582	0.9
217.97031	0.9
223.06128	83.3
269.17926	0.8
280.07336	1.7
307.89099	1.0
312.10025	0.9
328.09384	1.2
329.10562	1.7
341.10333	8.7
343.11853	5.1
344.12543	9.8
356.12463	1.6
357.13400	1.4
358.14203	2.0
359.14905	6.9
371.11386	4.2
371.15314	1.5
419.13544	60.5
469.38669	0.9
511.18137	3.3
585.22180	18.1
733.28412	11.1
737.26196	1.7
781.29486	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	51.4
61.98285	1.7
62.91024	1.5
65.65714	1.5
66.14504	1.4
70.94668	1.7
71.01385	8.0
71.66656	1.5
84.28020	1.4
85.02952	3.6
89.02441	100.0
101.02452	4.0
113.02442	6.3
133.05070	8.7
161.04544	8.0
323.12888	3.6
397.13046	17.6
605.22144	7.7
781.38245	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69625	1.3
76.97678	1.6
79.72582	1.4
84.32641	1.2
91.23508	1.3
92.23110	1.5
95.18227	1.3
96.76834	1.4
116.24697	1.4
121.02955	2.9
122.03728	2.9
132.02119	1.6
133.02963	7.1
134.03740	6.0
136.01633	1.5
145.22684	1.3
146.03732	2.0
147.04488	1.8
149.02443	17.7
149.06062	11.3
149.14932	1.4
150.03220	65.8
151.04001	16.4
160.20918	1.3
161.67746	1.5
162.03244	1.7
163.04025	1.8
164.04791	11.5
165.05565	100.0
177.05499	2.1
179.03526	2.0
179.07085	3.2
180.04305	13.1
193.05095	11.3
194.05826	2.9
195.06624	28.8
197.06833	1.6
198.05699	1.5
205.05089	5.8
207.06638	5.5
208.03819	1.6
208.07434	6.2
222.08911	2.3
223.06091	2.3
299.13596	1.8
309.54318	1.6
311.09329	4.9
313.10992	1.8
314.11600	2.8
326.11646	3.2
329.13934	12.4
341.13940	1.9
343.11676	2.8
359.15009	7.2
370.29126	1.6
373.13089	3.1
416.27365	1.5
419.13516	6.9
421.15198	8.4
462.17117	1.7
507.20209	7.7
537.21191	5.7
555.22101	6.0
584.22589	5.9
585.23285	14.2
649.76575	1.7
685.26489	6.7
715.28137	6.2
727.26697	1.7
733.28674	19.8
745.27954	11.1
763.30115	13.5
781.30731	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80326	1.2
56.94416	1.1
59.49530	1.1
74.35045	1.2
81.02863	1.4
88.04116	1.7
89.81120	1.1
110.23400	1.3
121.21515	1.4
122.03722	2.9
122.32095	1.3
127.89362	1.3
133.02971	2.1
146.03693	1.6
149.02443	12.7
149.06090	3.4
150.03221	64.8
151.04013	2.9
164.04794	10.1
165.05565	100.0
175.03951	2.0
179.07150	2.2
180.04268	9.9
194.05855	1.7
195.06631	26.8
205.08556	1.9
225.07841	1.6
258.61499	1.5
285.11520	1.7
299.09265	3.5
313.10803	6.2
314.11615	7.0
325.10968	3.0
326.11630	5.3
328.09720	4.9
328.13144	1.7
329.10297	14.9
329.14044	6.7
341.10406	22.3
341.14233	2.5
343.11798	20.3
343.15250	1.5
344.12643	38.6
345.13266	1.8
356.08929	2.0
356.12839	10.2
358.14169	6.2
359.15033	29.6
371.15076	10.5
391.13910	9.5
421.15118	2.5
466.96790	1.5
507.20044	2.2
537.21503	8.1
585.23621	20.9
635.63971	1.5
715.27130	2.2
733.28729	37.3
745.28595	2.9
751.29089	2.0
763.30176	8.7
781.30719	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
58.39886	1.1
59.01383	68.1
65.02560	1.2
65.34249	1.1
71.01379	41.2
73.02957	6.2
76.43701	1.2
79.01916	1.3
83.01408	2.3
85.02953	11.6
88.06643	1.1
89.02441	55.7
91.67529	1.2
99.00867	1.3
101.02450	43.3
101.86249	1.4
113.02451	32.6
113.67077	1.2
117.05572	1.8
119.03489	29.4
143.03468	1.4
145.08748	2.2
161.04541	8.8
179.05690	2.0
180.04236	1.5
181.05083	7.7
261.09848	2.2
263.11371	100.0
279.10867	18.5
345.43341	1.6
356.32611	1.5
359.13492	10.5
377.14676	11.1
387.14706	1.8
395.58386	1.5
446.15692	1.7
461.18344	10.1
498.88852	1.4
623.25775	24.7
777.92102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
59.90905	1.1
61.09263	1.0
62.36263	1.0
71.01385	1.5
76.93787	1.3
85.02893	1.2
93.13831	1.2
101.02413	2.3
115.05334	1.2
117.75317	1.3
119.05003	2.6
121.02957	5.2
134.03734	50.8
135.04515	2.2
149.02457	5.9
149.06070	25.2
150.03207	32.4
160.01651	7.0
163.04016	2.5
164.04829	5.3
165.05563	75.9
175.04016	26.0
178.02736	21.5
180.04285	5.2
193.05061	100.0
195.06648	12.7
228.66885	1.3
250.06406	6.0
253.08797	1.4
267.06631	1.6
277.16751	1.6
280.57797	1.4
282.08954	21.1
282.95752	1.3
326.07971	1.8
341.10303	25.2
371.11334	2.9
389.12430	43.0
389.16949	1.4
401.34790	1.5
585.25659	26.8
781.33081	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
72.99297	2.5
75.00867	4.1
87.00865	1.7
103.00383	0.7
105.01933	100.0
164.88962	0.4
230.05165	0.3
283.14081	0.4
335.97076	0.3
526.51245	0.4
579.64764	0.4
645.44208	0.4
781.45789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
59.01384	100.0
61.40191	2.1
65.28230	1.8
66.50729	1.8
67.27829	1.6
71.01383	34.8
72.99299	2.2
73.02949	17.0
75.00846	2.4
76.05703	1.6
79.16004	2.1
83.01385	9.7
85.02943	27.4
86.00066	2.5
87.00866	4.5
89.02425	3.7
99.00870	4.7
99.79377	1.8
101.02432	32.2
104.54337	2.1
111.00897	4.4
112.01682	2.8
112.39333	2.1
113.02434	45.9
117.96299	2.3
122.80010	2.3
124.01637	7.3
125.02425	11.3
132.04068	2.0
135.58508	2.0
143.03444	3.9
159.03003	2.8
161.04568	3.6
182.95122	2.3
194.37752	2.3
285.28006	2.5
308.49332	2.2
429.32156	3.0
447.33502	9.0
573.36322	22.7
591.37622	38.3
609.38562	17.3
633.38837	58.5
651.39709	89.4
693.40564	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21252	1.1
70.77758	1.6
71.01371	2.0
78.98595	2.4
79.95760	2.2
80.96511	29.2
85.14807	1.3
87.00811	1.3
92.27843	1.3
94.98077	6.8
101.02423	1.5
106.98077	1.8
121.16428	1.3
122.97532	1.8
134.97592	2.0
142.37633	1.4
144.63150	1.2
148.99130	7.8
152.98570	3.5
152.99672	1.9
157.29523	1.4
164.98663	17.8
172.53638	1.4
206.99596	3.2
225.00739	54.1
225.11302	2.0
269.67221	1.7
280.99670	1.6
286.96921	1.5
302.80548	1.6
449.89749	1.7
525.16333	3.1
537.27850	2.7
781.40546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54562	0.5
58.24228	0.6
59.01389	4.8
59.01641	0.6
60.89458	0.6
71.01374	1.4
78.47030	0.6
80.01362	0.6
86.03601	0.7
89.01916	0.6
89.02435	1.4
99.00874	1.3
101.02428	3.4
113.02467	0.7
123.14008	0.7
179.10455	0.7
181.12354	1.2
187.09738	0.8
190.61017	0.6
200.03105	0.6
207.10185	6.0
225.11354	11.2
235.08296	0.8
245.19084	0.8
253.09309	8.8
253.11737	0.9
263.20187	100.0
268.94467	0.8
271.42059	0.8
277.21759	9.7
281.24884	90.7
283.60391	0.6
421.47076	0.7
461.20212	2.9
517.33905	11.0
619.36731	0.7
721.41876	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66444	0.4
70.18823	0.4
75.08905	0.4
78.26840	0.5
79.78466	0.4
80.80235	0.4
111.03190	0.4
114.39091	0.5
165.40669	0.5
242.93933	0.6
255.23334	8.7
279.23318	100.0
351.06604	0.6
373.60165	0.6
390.52927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45695	0.5
59.56058	0.5
63.07101	0.4
76.42397	0.5
87.05626	1.3
92.23208	0.5
121.73680	0.5
129.10321	11.4
130.08713	2.1
138.09245	0.5
139.08751	2.6
140.07137	4.5
146.06189	1.9
155.08261	2.6
155.11967	0.5
164.09625	0.6
165.10332	5.2
167.08267	0.9
182.12921	1.8
182.15395	0.6
183.11404	3.5
185.53456	0.6
197.13281	0.6
197.16518	2.3
200.14096	6.1
207.15047	19.4
224.17686	4.8
225.16090	4.3
226.11989	0.8
241.13521	4.7
242.11824	3.0
242.18747	15.8
259.14572	7.2
276.17172	2.0
295.21359	11.1
310.25055	0.9
312.17004	4.3
313.22604	5.9
329.19760	1.2
330.18356	2.7
337.26126	13.0
347.20966	1.1
355.27274	5.1
371.24548	2.0
389.25711	0.8
415.27405	0.7
443.26566	0.7
450.34418	0.8
539.39490	2.5
563.50818	0.6
782.51941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23677	0.7
59.01134	0.7
59.01385	5.3
62.80440	0.7
66.55320	0.7
71.01362	6.4
75.00875	4.8
79.26414	0.7
85.02952	9.7
87.00867	5.0
89.02433	5.6
95.01376	1.7
99.00879	1.7
103.00352	1.3
113.02446	28.6
117.01923	0.9
127.51237	0.8
135.04523	9.9
156.78223	0.8
157.01410	1.3
161.02454	19.6
173.04622	1.9
175.02455	1.7
179.03473	11.3
191.05635	1.9
207.05069	1.3
249.06160	12.8
253.07101	4.0
267.07239	99.0
353.08713	1.3
429.10416	100.0
786.49329	0.9
800.35168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.0
69.48764	0.5
70.27910	0.5
75.28490	0.5
78.28479	0.5
79.60925	0.4
90.32228	0.5
94.66224	0.5
101.02452	0.6
131.03525	0.6
132.06688	0.5
135.62146	0.5
137.02440	1.4
139.07330	0.5
148.44781	0.5
163.00352	3.1
164.01176	1.1
175.00388	6.9
184.95245	0.5
185.89485	0.6
188.04817	0.7
191.03554	0.7
211.04102	1.0
213.01924	0.8
215.03442	0.6
227.03535	3.4
228.04288	0.9
239.03398	0.8
255.03015	19.9
256.03784	5.1
257.04602	2.4
271.02548	0.9
272.03290	7.0
282.01575	0.8
283.02505	100.0
300.02786	7.7
301.03488	4.1
380.85379	0.6
508.57794	0.7
711.97192	0.7
741.20361	0.9
783.20013	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28126	0.2
59.01360	0.3
59.47853	0.2
74.35757	0.3
82.81160	0.3
85.02951	2.9
87.00858	0.4
89.64138	0.2
93.03442	1.3
99.15862	0.2
116.92848	0.3
127.03995	1.4
131.42043	0.3
139.57646	0.3
146.02521	0.3
154.79219	0.3
165.05548	0.3
173.04558	0.6
177.96695	0.4
191.05630	100.0
265.68167	0.3
283.06052	0.6
317.02017	0.3
434.84802	0.3
509.27283	0.3
743.39819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45591	0.3
59.01383	0.6
59.24287	0.3
59.37029	0.3
65.74757	0.3
73.53957	0.3
85.02940	3.6
86.49952	0.4
87.00882	0.7
89.02431	0.4
93.03474	0.7
119.04969	0.6
127.04062	1.2
163.04028	0.6
171.10242	2.1
173.04562	0.5
191.05635	100.0
201.11401	0.9
219.14014	0.4
261.07764	0.8
263.12851	0.7
268.04034	0.4
283.06146	3.7
284.06467	2.0
285.06680	1.6
359.20865	0.9
526.18420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21900	1.3
57.14550	1.4
59.01385	12.5
68.53793	1.5
73.02934	2.8
74.78440	1.6
76.42130	1.6
83.01385	50.9
85.03001	2.0
88.03761	1.8
89.48248	1.8
93.03397	1.8
97.81275	1.6
100.00955	1.6
101.02400	3.9
113.02451	51.7
116.11501	2.0
116.92874	1.9
119.05013	3.1
119.72197	1.6
131.03511	8.1
131.14978	1.9
137.02440	2.5
145.03001	15.2
149.02473	8.6
149.04561	24.1
163.04036	15.9
164.04790	46.7
168.51804	2.1
173.04549	9.6
179.03415	1.9
179.07117	7.1
190.02731	4.2
191.05627	17.5
202.10873	3.2
205.05090	18.8
208.03761	10.7
223.06119	80.5
239.84615	2.0
300.02859	2.1
302.19922	2.2
307.08347	8.8
319.08499	2.8
337.09274	3.6
355.10422	100.0
427.16089	8.2
783.27057	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12274	2.8
59.01382	65.2
59.28515	3.3
71.01381	37.3
71.86782	3.4
72.96799	3.3
85.02959	4.5
87.00890	4.1
89.02434	70.8
101.02444	19.1
113.02431	19.8
119.03489	23.1
129.01950	6.1
161.04541	8.4
161.61179	3.6
179.05626	100.0
179.07071	7.7
195.06653	5.6
250.15384	3.7
327.41772	3.7
389.97336	3.9
537.21863	6.1
567.22449	16.8
783.26544	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63897	0.3
59.01392	0.5
60.99293	0.6
67.01889	1.7
69.03444	0.3
71.01360	0.7
83.05019	0.4
85.02950	0.5
87.00866	7.1
87.79976	0.3
93.03448	22.2
94.93047	0.4
108.97064	0.3
111.04519	4.8
127.03925	0.4
129.01976	0.9
134.03740	2.7
149.06119	0.5
155.03499	1.4
172.10016	0.3
173.04521	9.5
173.05908	0.5
175.03983	0.5
191.05623	100.0
193.05074	6.6
195.06619	0.5
214.56105	0.4
239.34825	0.4
282.88553	0.4
307.13959	0.4
367.10370	60.7
613.34271	0.4
794.64008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.3
67.38664	0.6
70.64716	0.6
71.01379	5.8
72.99293	1.2
79.66109	0.6
81.25705	0.7
85.02947	2.6
87.00864	12.6
89.02439	9.8
89.76472	0.6
95.01389	0.7
101.02441	7.1
112.13938	0.6
113.02412	4.3
119.03478	2.9
126.90382	0.6
134.03697	0.8
135.04594	0.7
149.02423	4.1
152.01112	1.4
159.33731	0.6
161.04535	0.7
163.03998	3.8
164.04784	13.2
165.01947	6.7
165.05530	0.9
166.02699	2.9
177.05496	1.3
179.03438	2.6
179.07101	2.9
180.04309	12.8
181.05078	0.9
183.06570	1.1
190.02733	15.6
191.03462	2.8
193.05031	2.5
194.05788	1.0
195.06638	25.2
205.05072	69.4
207.02992	2.6
208.03767	3.0
210.05418	4.7
222.05321	3.6
223.06151	12.7
225.07664	3.9
289.10672	1.2
307.20676	0.7
313.09201	0.9
327.08594	0.9
342.11108	2.7
401.12408	3.0
469.17239	9.5
602.35913	0.7
647.24005	1.0
664.30945	0.7
695.25409	3.6
783.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63186	0.9
70.94051	1.0
89.02393	1.0
117.03477	1.6
134.03737	33.0
149.06091	9.3
155.03500	2.5
166.32617	0.9
173.04538	5.1
175.11546	1.0
191.05606	5.0
193.05069	100.0
216.88445	1.1
367.10385	49.2
496.17648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
67.41573	3.7
69.98306	3.3
71.01397	3.3
72.86955	3.5
89.02479	3.8
92.23240	3.6
96.95998	18.4
101.02458	6.7
115.02785	4.4
119.80517	3.7
149.02484	9.0
150.40379	4.0
152.01169	5.8
164.04791	81.4
166.02684	6.0
177.05656	4.3
179.07152	64.8
189.11101	3.5
193.01443	4.4
195.06599	7.8
196.00453	3.5
205.05070	15.9
208.03839	6.1
209.04688	4.7
217.08733	7.3
222.05391	7.6
223.06145	91.6
265.07178	4.1
299.06836	4.1
339.35638	4.1
348.08542	24.0
363.10852	73.0
463.16153	100.0
561.20215	40.9
641.28278	25.2
783.36804	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
60.92382	0.9
62.20732	0.7
68.11299	0.8
71.01365	1.5
71.36296	0.7
82.99316	0.9
87.00861	11.7
89.02431	1.3
101.02444	1.7
113.02455	0.9
126.16366	0.9
149.02403	1.7
152.01074	1.1
163.72354	0.8
164.04805	8.7
165.01939	10.1
175.00360	0.9
179.07094	2.9
180.04266	27.1
190.02740	17.0
191.03487	5.5
195.06638	44.6
205.05072	73.6
208.03743	3.6
210.05363	11.9
210.71582	0.9
223.06131	16.7
225.07675	7.6
276.13116	0.9
311.34000	0.9
313.09180	1.0
401.12299	1.9
454.15106	1.6
469.17215	14.1
695.25958	6.9
783.27161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.8
71.01373	2.6
89.02438	5.0
93.21672	1.2
101.02427	8.0
119.03493	1.5
149.02454	1.4
163.04071	2.1
164.04799	8.9
165.01927	6.2
165.05568	2.1
180.04298	19.5
190.02704	16.6
191.03471	4.9
194.05783	1.7
195.03001	1.5
195.06633	40.4
205.05078	73.0
207.02974	1.7
210.05301	6.8
211.72508	1.3
222.26112	1.2
223.06094	12.2
225.07658	6.8
230.64108	1.2
312.34000	1.2
469.17001	10.4
583.22174	5.5
695.25342	7.4
783.27228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09445	1.5
69.58054	1.6
70.88352	1.7
121.02935	2.1
122.03740	3.6
133.02974	3.9
134.03749	9.3
136.01660	3.6
137.02470	1.7
144.29083	1.7
146.03682	2.9
149.02440	13.8
149.06096	19.5
150.03232	63.1
151.03972	11.3
162.03313	2.1
164.04834	13.4
165.05569	100.0
180.04263	13.7
181.05110	7.4
195.06638	34.8
252.19974	2.1
345.13354	3.3
376.15305	9.6
377.16025	3.9
391.17688	13.0
539.22925	11.5
569.23956	2.5
587.24982	15.4
641.25946	3.4
717.29230	7.2
735.30145	28.6
747.17651	2.0
747.30481	4.0
765.31775	19.2
783.32660	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.0
64.34911	1.0
71.01369	9.5
73.02959	2.3
83.01392	1.3
85.02955	4.5
89.02444	6.9
99.00877	1.6
101.02444	11.7
106.83179	1.1
112.36220	1.1
113.02418	10.3
118.50495	1.1
119.03464	5.0
143.03510	1.5
145.02884	1.1
146.24023	1.1
155.03636	1.3
159.02881	1.2
161.04514	2.1
175.84076	1.1
179.05624	1.9
191.05627	4.4
277.21686	2.7
343.21527	1.3
405.07758	1.3
410.50925	1.4
416.62561	1.3
421.25833	1.3
457.27985	7.7
465.13245	1.3
466.68698	1.1
517.30219	6.4
537.24274	1.3
559.31140	8.3
577.32361	100.0
651.68152	1.2
745.28589	1.4
783.28516	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.74569	0.3
72.99303	2.1
75.00867	3.8
87.00873	2.1
92.23095	0.8
103.00368	1.4
105.01929	100.0
117.45400	0.4
141.97873	0.5
232.61746	0.4
528.76196	0.5
535.08295	0.5
793.49774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02193	0.7
55.27677	0.7
59.01380	2.2
66.94878	0.9
71.01368	0.9
87.00829	1.7
91.11157	1.0
97.02934	1.1
101.02477	1.3
102.23175	1.2
102.39832	1.0
111.48953	0.9
115.04004	5.0
119.03484	1.1
150.06862	14.8
163.07590	1.1
164.08386	1.2
179.10771	18.9
199.13319	1.0
250.61459	1.1
299.18570	1.2
321.20789	1.3
341.23431	5.6
343.21326	9.0
365.48511	1.2
462.29984	3.7
476.31509	5.3
477.32343	10.2
504.31122	6.4
505.31915	1.4
522.31909	15.3
523.32880	31.4
685.37592	1.4
783.41931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53253	1.3
57.95597	1.5
58.23472	1.7
60.82125	1.5
79.29760	1.4
121.02956	2.8
151.04039	1.6
172.61551	1.8
190.06378	2.9
194.66318	1.9
205.08719	2.0
279.23300	100.0
296.10455	2.6
311.13043	2.0
326.11627	15.6
341.14069	8.4
418.18918	1.9
581.23230	2.2
621.38123	76.7
734.82605	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.51498	0.5
67.15330	0.5
72.99294	2.8
75.00870	4.8
76.64429	0.6
87.00871	1.3
87.37556	0.7
89.02430	0.7
97.79701	0.6
105.01930	100.0
125.09724	0.9
133.39355	0.6
180.05478	0.7
187.09767	2.5
216.37297	0.6
261.13321	1.0
323.10425	0.8
765.51379	1.2
783.52948	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
59.29872	0.6
70.33244	0.8
104.26384	0.9
105.80877	0.7
113.09717	14.6
167.10844	0.8
179.10730	1.3
186.17480	0.8
195.13936	1.8
249.22275	3.4
253.21710	15.5
274.85818	0.8
293.21259	100.0
392.16013	0.9
415.59839	0.8
479.37161	0.9
489.30908	1.1
657.38458	1.1
711.13623	1.1
783.45160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25872	0.2
62.12272	0.2
79.21841	0.3
85.07587	0.2
174.98378	0.3
277.21970	0.3
455.35382	100.0
765.54175	0.3
783.46802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
64.85948	0.3
65.18546	0.3
71.01379	7.1
72.99278	0.4
73.02937	2.2
83.01384	0.9
85.02945	2.5
89.02438	2.8
95.01428	0.4
99.00884	0.6
101.02441	6.5
113.02436	2.8
115.03922	0.5
125.02451	0.4
130.06664	3.4
142.06621	2.5
144.04527	2.9
144.08168	10.4
146.06114	38.7
156.08176	1.7
158.06059	0.8
160.07698	5.3
161.04485	1.3
164.07191	1.6
166.06612	0.5
170.06100	3.9
172.07724	0.5
174.09274	4.2
184.07658	0.4
186.05634	7.3
186.09294	0.4
188.07178	28.5
190.05141	3.3
198.09236	0.5
200.07224	0.8
202.08835	0.5
206.08209	4.1
218.08237	4.3
228.10289	0.5
232.06168	5.7
242.08104	0.6
254.08124	0.6
308.11465	3.3
340.15567	0.5
352.10406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
67.01880	2.3
68.70661	0.4
71.01372	3.6
76.93703	0.4
89.02441	7.5
101.02438	2.9
111.00872	100.0
113.02439	2.0
119.03474	4.9
128.05029	0.4
131.03629	0.6
139.59615	0.4
151.06114	5.4
179.05544	0.8
194.57045	0.4
196.58887	0.4
197.04591	1.7
231.67163	0.4
262.03415	0.5
313.11414	13.5
313.14706	0.7
359.09869	0.7
360.10364	0.4
425.13058	53.8
577.75067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81429	0.5
59.90332	0.6
71.01378	0.9
79.41867	0.6
87.00821	0.9
93.03452	3.3
104.94609	0.6
111.04533	1.0
117.03705	0.8
119.05030	1.1
127.24679	0.8
135.02994	6.4
135.04524	14.8
137.02403	2.6
145.44354	0.8
155.03439	1.1
161.02487	2.7
163.03995	8.4
173.04543	45.9
179.03508	33.7
184.21446	0.6
191.05620	100.0
235.30109	0.7
237.14966	0.7
273.88528	0.8
281.06671	4.4
285.04016	1.0
308.36850	0.6
353.08804	79.9
415.55930	0.8
560.67371	0.7
785.23022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
60.45372	0.4
62.31770	0.3
62.57584	0.4
63.44873	0.3
66.16435	0.4
71.01405	0.4
101.67192	0.5
125.02383	0.5
127.53940	0.4
134.03726	19.7
137.02466	1.6
139.04057	0.5
149.02428	1.7
149.06064	18.9
154.78380	0.4
164.01099	0.4
166.02711	0.7
168.04311	0.6
178.02699	27.3
192.00676	0.7
193.05055	100.0
217.04921	0.5
220.72733	0.4
241.05060	1.5
285.04147	3.7
320.77802	0.4
320.81631	0.4
355.10379	29.4
391.87744	0.4
489.52094	0.4
536.69421	0.4
649.19659	0.6
719.45898	0.4
785.21051	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00502	0.7
61.37384	0.8
72.11692	0.8
74.75887	0.8
91.00996	0.9
93.03455	4.5
93.41579	0.9
111.04536	1.1
119.08591	0.9
135.02925	1.1
135.04512	21.3
137.02460	0.9
139.69293	0.8
140.17680	0.9
155.03506	1.4
161.02426	1.6
164.94740	0.9
173.04547	37.7
179.03508	54.0
183.21074	0.8
191.05620	100.0
201.85211	0.9
290.85117	1.0
353.08798	91.9
521.64978	1.0
603.01660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.4
62.66612	0.9
68.99825	7.5
71.01389	6.3
72.79572	0.7
72.96883	0.9
75.00849	7.5
89.02453	8.0
93.03436	0.9
101.02420	5.5
108.02177	8.8
109.02910	1.4
113.02454	3.6
119.03506	2.1
123.00874	4.7
123.04520	14.7
124.32476	0.9
130.19022	0.8
132.02144	1.3
147.04530	1.5
148.01732	1.1
150.03210	7.7
161.02504	8.7
162.03236	5.3
163.04004	9.5
164.04747	3.3
177.05563	34.0
178.02718	31.8
179.03424	1.8
183.08676	0.9
193.05064	38.5
193.08649	1.0
249.50136	0.9
273.27023	0.9
662.03101	1.0
725.24707	6.1
785.26733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	0.8
59.01376	5.9
60.98473	0.8
64.41975	0.8
71.01370	2.0
89.02441	4.0
93.03428	1.3
99.00877	4.7
101.02420	1.8
113.02425	5.3
119.03463	1.9
119.04992	1.6
120.65493	1.0
123.04514	1.6
124.23125	1.0
124.71470	0.9
125.46689	0.9
147.04576	1.0
148.05287	4.6
158.03693	1.1
165.92882	1.1
170.99733	1.0
174.03183	3.8
176.04758	2.4
176.54793	1.0
182.15932	1.0
191.05655	1.4
191.07182	6.5
193.05069	3.4
194.05925	1.3
202.02774	1.3
206.05873	1.6
220.03741	1.6
229.05057	1.2
235.06100	4.1
236.08545	0.9
238.04715	1.0
250.06406	1.5
262.06342	2.3
263.07172	3.9
264.07941	12.1
265.08734	4.4
266.08908	1.1
267.06677	17.6
277.08646	1.9
278.05994	1.3
278.09488	1.8
279.06641	20.4
279.10257	30.2
282.09018	29.0
293.08023	4.2
294.05438	7.0
294.09000	26.1
295.06247	1.3
297.11295	6.1
306.05420	1.4
307.06021	1.6
308.07007	7.2
309.07709	10.5
309.11078	1.8
310.08542	6.6
320.06821	1.3
321.07767	3.8
322.08557	20.2
323.01816	1.9
323.05603	27.8
323.09311	12.5
326.07974	8.3
337.07178	1.5
338.08008	54.7
341.10373	21.0
353.10352	100.0
371.11618	7.2
413.14566	5.8
544.27856	1.4
755.25702	23.8
767.11774	1.2
767.25714	47.3
785.26685	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81065	0.4
60.00557	0.4
72.99306	28.6
78.32651	0.7
109.97024	0.6
113.02470	0.6
123.04506	7.8
135.04507	10.1
179.01920	1.1
179.03506	36.2
197.04567	100.0
215.05655	0.8
277.58469	0.7
359.09891	64.3
441.15988	0.7
587.22784	0.7
785.27411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.26143	0.3
66.97882	0.3
67.06371	0.4
69.52841	0.4
71.01356	2.8
72.99294	7.4
83.01380	0.4
85.02953	0.6
87.88499	0.4
89.02428	3.1
95.01347	0.4
101.02435	3.4
102.32219	0.4
113.02429	2.5
119.03452	0.6
123.00833	2.0
123.04505	0.8
135.04509	1.5
138.03214	16.4
153.05571	16.0
153.06813	0.6
157.00844	0.5
161.04459	0.7
166.99835	0.5
179.03502	10.9
182.02219	25.4
197.04559	100.0
200.40433	0.4
237.53516	0.4
359.09854	51.2
381.16367	0.5
425.16708	22.2
479.57056	0.4
626.31830	0.5
785.27258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
69.01997	0.7
72.99298	7.3
81.56482	0.6
83.05009	7.0
86.15991	0.7
101.02402	1.0
111.04511	14.2
115.04015	4.6
119.05049	1.3
126.04910	0.7
127.04008	52.6
129.05557	4.0
137.02502	0.8
155.03506	64.8
163.04013	7.5
171.03069	0.9
189.04100	1.3
191.05695	2.5
199.02504	48.5
217.03543	100.0
225.11339	2.9
255.07077	0.8
281.06467	1.0
316.36841	0.8
503.73059	0.8
535.49884	0.8
567.23169	5.8
686.52301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66589	0.4
56.25168	0.4
59.01379	0.6
64.47511	0.4
71.01385	0.8
72.99304	21.8
89.02448	0.6
99.81409	0.5
101.02427	0.5
113.02455	0.7
115.00381	1.9
123.04519	5.7
129.15575	0.4
133.01433	4.3
135.04530	8.2
138.03203	1.0
153.05533	3.8
179.01910	0.9
179.03503	33.3
182.02206	7.4
197.04570	100.0
272.73260	0.5
359.09885	63.9
425.16739	6.6
785.27655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07874	0.4
61.52534	0.5
72.99303	27.0
82.23723	0.5
93.50277	0.6
103.31563	0.6
123.04509	5.8
128.65292	0.6
135.04506	6.5
135.57336	0.6
141.55341	0.7
179.03510	35.2
197.04565	100.0
305.97906	0.6
359.09875	76.0
441.16647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
70.12981	0.4
72.99304	27.6
89.02444	0.8
106.71761	0.4
112.72958	0.4
116.82293	0.4
123.04512	6.1
135.04529	7.4
143.79869	0.4
179.03502	32.8
181.05107	0.6
197.04565	100.0
215.05676	0.7
252.52565	0.4
259.95132	0.5
359.09882	67.6
446.65079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49061	0.2
60.47061	0.2
64.86931	0.2
73.02071	0.2
73.27091	0.2
97.47912	0.2
99.92599	2.8
103.24519	0.2
114.93504	0.2
116.92854	100.0
117.01919	1.5
122.13974	0.2
128.50533	0.2
154.36569	0.3
201.09550	0.2
311.87512	0.2
372.09119	0.3
391.91302	0.3
682.15027	0.3
785.77911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.72055	0.2
59.01371	0.5
59.58133	0.3
59.58447	0.2
63.67036	0.3
68.19152	0.3
83.05015	1.2
85.02934	2.1
90.10254	0.3
96.78178	0.3
96.91188	0.3
97.11837	0.3
111.04549	0.4
111.37923	0.3
113.02441	100.0
140.32156	0.3
155.03407	0.3
223.12048	0.3
249.18616	19.9
255.23344	1.5
281.24564	0.3
341.97025	0.3
402.24542	0.3
761.35791	0.4
785.48621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27151	0.4
59.01377	11.9
62.27947	0.4
63.98169	0.4
66.29640	0.4
67.01892	3.2
71.01372	7.7
77.24782	0.6
85.02937	3.1
89.02438	14.8
91.67902	0.5
96.95995	0.6
100.14684	0.5
101.02434	3.9
111.00874	100.0
111.95725	0.5
113.02435	4.2
119.03491	5.5
127.36346	0.5
129.01932	2.4
142.09688	0.5
143.03499	0.8
149.04619	0.7
151.23767	0.5
153.01865	0.5
161.04546	2.5
177.05533	2.4
179.05612	12.4
231.05118	0.7
247.67801	0.5
291.07266	9.0
367.14413	0.6
453.14087	4.8
461.17477	0.6
624.24249	4.5
736.31146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85689	0.4
59.01379	12.4
63.84449	0.5
67.01891	2.4
71.01383	7.0
75.00881	0.4
77.40365	0.4
85.02959	2.7
87.00827	0.5
89.02438	16.4
101.02435	4.6
108.64621	0.5
111.00874	100.0
113.02431	4.2
119.03506	5.4
129.01941	2.0
143.03563	0.6
147.20885	0.4
149.04533	0.6
161.04601	2.1
175.56094	0.5
177.05608	2.0
179.05623	12.2
179.07082	0.8
231.05016	0.6
291.07278	10.2
343.70709	0.5
348.44461	0.5
453.14313	4.0
474.41110	0.4
639.39380	0.6
711.27820	0.5
724.13849	0.6
786.04364	0.6
786.28223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72032	0.8
78.95908	4.2
81.43767	0.8
119.38062	0.8
134.50172	0.8
152.99599	1.4
157.08646	4.3
185.11919	0.9
224.06989	4.7
251.20168	14.6
253.21716	1.5
269.21246	100.0
277.21738	42.2
293.17676	4.3
330.13409	0.9
412.89542	0.9
502.29495	44.1
532.18323	1.0
624.36786	1.0
643.87866	1.1
786.53082	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.48156	0.3
67.43233	0.4
69.53927	0.3
71.01352	0.7
78.95908	0.8
79.95746	1.6
89.38022	0.4
92.23079	0.8
93.52031	0.3
94.98066	0.8
96.96001	100.0
96.96886	3.4
121.57635	0.4
191.05547	0.4
265.07266	0.8
769.11304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
62.09541	0.3
71.01376	2.2
73.02961	0.6
85.02953	2.3
92.57742	0.5
93.03451	18.8
101.02427	1.9
103.78545	0.5
111.04513	0.4
113.02442	0.7
119.05027	4.0
121.69291	0.5
123.69854	0.4
137.02443	100.0
145.02924	0.6
155.03481	0.7
161.06059	1.6
163.03995	8.8
192.28084	0.5
193.05052	0.8
205.05034	3.3
217.03699	0.6
265.07080	1.1
299.07748	33.4
325.09366	1.6
367.10342	1.6
386.84265	0.5
393.14029	1.6
427.12405	5.9
487.14780	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94362	0.7
56.61562	0.6
59.01141	0.8
59.01375	6.8
66.50278	1.0
66.69198	0.8
69.00995	0.6
69.87321	0.7
71.01373	5.8
71.97974	0.8
74.20958	0.7
74.66247	0.7
75.48546	0.8
78.50266	0.8
87.67766	0.8
89.02440	4.9
101.02447	6.3
113.02429	1.8
119.03539	1.4
124.04053	2.0
127.05189	0.9
145.02878	1.3
149.02431	5.7
152.01151	1.4
161.04568	1.5
164.04765	28.3
179.07129	21.3
190.02711	4.3
191.03537	0.8
191.05618	1.0
193.01474	1.0
198.77515	0.9
205.05072	25.2
206.05952	5.6
206.07484	0.9
208.03777	44.0
221.08206	12.8
223.06133	100.0
237.07747	0.9
247.06177	1.2
249.12589	1.3
250.04730	2.0
265.07190	28.6
269.10342	1.5
295.05246	1.3
295.08243	11.5
322.72031	0.8
325.09296	15.8
379.19534	0.8
385.11444	72.6
401.09531	1.2
401.14581	23.0
723.44684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	48.2
84.34251	1.1
100.39906	1.1
103.00368	100.0
133.01402	5.1
218.92859	1.1
275.25656	1.1
527.36420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15930	1.5
59.01381	9.1
86.29804	1.6
87.40411	2.0
123.04536	2.6
127.42883	2.2
134.03735	62.1
135.04498	6.6
149.02370	3.5
149.06078	31.1
150.03246	25.1
151.04021	22.8
164.04784	4.0
165.05550	66.3
168.92038	2.8
175.04016	11.8
178.02718	32.4
180.04315	3.3
181.05089	10.8
193.05077	100.0
193.06815	4.1
195.06627	11.5
205.05055	2.7
247.05841	2.3
251.41974	2.0
267.06607	3.1
282.08954	20.8
341.10306	31.6
371.11441	2.5
389.12448	91.1
591.21088	23.3
727.23975	2.5
739.26080	3.0
787.28094	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	2.7
59.01385	65.0
63.76915	1.1
65.59460	1.2
71.01385	13.6
73.02934	3.2
77.14497	1.3
85.02938	5.6
89.02419	7.2
99.00846	6.2
101.02425	13.6
101.03990	1.3
113.02433	7.7
117.03434	2.4
119.03506	1.3
121.02923	6.4
122.03672	1.4
134.03738	60.5
135.04451	2.3
148.44763	1.4
149.02386	6.0
149.06065	20.3
150.03217	28.8
156.56836	1.3
160.01674	6.8
161.04485	6.6
164.04736	6.9
165.05566	78.3
171.10243	2.2
171.17482	1.6
175.03987	23.1
178.02704	24.7
180.04202	5.7
193.05069	100.0
195.06639	17.7
233.05862	1.7
250.06302	2.9
253.08791	1.7
267.06683	2.4
277.16571	10.7
282.09021	22.9
319.17636	23.6
329.23520	1.8
341.10315	21.7
371.11145	1.9
389.12503	52.3
416.27603	1.6
423.22336	18.7
591.20941	22.6
727.37689	3.3
787.28082	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98832	1.6
63.50845	1.0
65.82677	1.0
85.02930	1.2
85.32449	0.9
113.02431	1.7
116.06046	0.9
116.63984	0.9
119.05022	1.9
134.03734	88.1
136.01662	5.7
137.02441	2.1
147.04485	1.4
148.05339	6.6
149.06079	74.3
150.03250	1.5
153.05522	2.8
160.01546	1.2
163.04063	1.4
164.04752	1.3
165.05579	5.3
175.03973	8.9
178.02698	2.3
192.04225	8.5
193.05087	21.1
207.06705	2.5
230.79414	1.0
266.33643	1.2
284.10535	1.4
359.15125	2.5
383.13708	9.3
403.14026	100.0
524.50690	1.1
577.19641	11.6
787.27661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61077	1.3
55.99068	1.3
72.41245	1.8
93.19376	1.5
96.96004	11.8
98.95600	1.6
101.88483	1.6
104.18546	1.4
121.02991	1.8
122.18567	1.9
134.03745	28.0
146.03738	10.6
149.02449	3.7
149.06102	2.7
150.03221	33.9
154.43428	1.8
160.01653	39.4
161.06073	8.3
162.04727	1.5
164.04764	12.4
165.05577	35.0
175.04005	100.0
179.07166	19.2
180.04251	2.7
193.05057	16.6
195.06715	4.0
205.06818	1.9
282.09021	10.9
289.23459	1.7
290.23676	1.6
317.83069	1.7
341.10349	10.3
456.03125	1.6
591.20959	92.4
596.23468	1.9
739.26178	7.7
769.27405	1.8
787.28473	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68100	0.8
79.13261	0.9
86.13422	0.8
96.95995	2.3
106.57690	1.0
108.30653	0.9
117.45078	1.0
121.02973	1.2
122.03738	1.2
127.18133	1.2
127.31851	0.9
133.02991	1.6
134.03732	22.0
135.04552	1.6
146.03740	9.8
149.02419	4.2
149.06137	7.0
150.03214	31.0
160.01642	35.8
161.06113	7.9
164.04797	14.5
165.05556	34.6
175.03999	100.0
178.02774	1.3
179.07140	22.8
180.04306	1.6
186.06827	0.9
193.05058	16.0
195.06635	6.4
250.06323	1.5
254.09467	1.3
282.08997	8.3
341.10294	10.8
394.73093	1.2
591.20917	99.7
739.25989	6.1
769.26794	1.7
787.28284	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57491	0.9
56.54266	1.0
56.75805	0.8
59.01101	1.3
59.01379	18.5
59.04700	0.9
62.48875	0.9
63.26220	1.1
63.86672	1.0
71.01368	10.4
73.02908	1.5
79.41194	1.0
80.67908	1.1
85.02930	2.4
89.02428	11.6
90.69044	1.0
92.22390	1.1
101.02444	9.8
101.05881	1.0
105.17276	1.1
111.00867	7.3
113.02428	6.9
119.03490	2.8
133.10248	1.6
135.11819	10.0
161.04538	2.4
161.09669	4.3
179.10779	47.0
223.09735	19.6
232.63445	1.2
242.57500	1.1
269.10306	2.2
328.41931	1.2
401.14413	4.5
469.15613	1.5
488.69150	1.3
607.23999	19.6
623.22510	1.4
623.75629	1.3
787.30377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.8
71.01380	3.6
76.98132	0.6
85.02950	1.0
87.00873	0.9
89.02435	5.7
89.36599	0.5
101.02444	3.5
113.02418	2.8
113.64603	0.7
119.03507	1.0
130.80652	0.6
149.02478	1.5
152.01141	0.7
159.82687	0.5
164.04794	13.5
166.02711	5.6
167.03510	0.7
175.00406	0.6
175.03926	0.7
179.07143	6.2
181.05070	8.8
190.02719	22.9
191.03419	0.6
191.05724	0.8
197.04619	0.6
205.05077	100.0
208.03853	1.3
209.04477	0.8
221.08221	0.9
222.05339	1.1
223.06136	20.5
237.07651	0.9
265.07245	3.0
393.65091	0.8
463.16162	8.1
469.17123	3.7
472.15979	1.1
487.18277	94.8
617.37305	0.9
765.14081	0.7
787.29077	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12605	0.7
59.01381	100.0
63.29763	0.7
63.58862	0.8
71.01386	9.7
73.02943	4.8
83.01378	1.3
85.02949	6.1
89.02421	3.3
98.33625	0.9
99.00864	1.9
101.02432	19.6
113.02438	9.3
134.03729	10.0
136.38852	0.8
149.06076	5.5
150.03178	5.0
159.02989	1.2
161.04578	11.4
164.04729	1.0
165.05583	14.8
166.30199	0.8
175.04027	4.0
178.02707	6.4
180.04222	0.9
193.05081	21.5
195.06688	1.8
226.70020	0.8
277.16559	23.1
282.09085	1.4
291.18210	1.6
298.85199	0.7
319.13980	1.8
319.17639	42.5
341.10205	1.7
389.12378	7.1
423.22400	21.9
591.21246	6.1
694.56427	0.9
751.51099	0.9
787.27704	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
74.03725	0.4
78.25926	0.4
92.23045	0.5
137.09747	0.7
155.14391	3.8
155.59006	0.5
156.83841	0.5
171.10271	0.7
195.13771	0.5
251.23871	4.1
255.23325	7.6
277.21692	2.3
295.22809	100.0
466.04877	0.6
644.26385	0.6
787.49127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45413	0.2
60.54818	0.2
65.65290	0.2
71.14411	0.2
105.35979	0.3
120.78381	0.3
133.02901	0.3
134.03725	1.6
135.04523	2.5
137.02408	1.5
161.02438	5.2
164.80463	0.3
178.02670	0.6
179.03517	4.2
309.31894	0.4
355.32306	1.1
431.31696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37518	0.6
61.43487	0.6
61.46615	0.7
61.98828	0.7
72.99294	6.5
73.36958	0.8
85.66252	0.7
93.03455	8.4
106.22438	0.7
107.05048	1.5
111.00863	19.6
119.05019	14.9
135.04517	18.8
136.04016	1.2
163.02634	1.4
163.03999	37.6
181.05066	100.0
195.06647	1.0
207.27478	0.6
252.26761	0.8
343.10367	43.3
370.07172	13.3
373.09433	0.9
385.10965	3.2
386.10583	3.0
388.11972	1.4
400.11383	0.8
444.11044	2.8
454.44824	0.8
538.01019	1.0
551.78558	1.0
676.20282	1.1
687.64703	0.8
709.77264	1.0
744.23193	6.6
788.22064	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
74.32497	0.5
78.95890	4.8
80.09964	0.5
86.10397	0.4
90.15466	0.4
97.06561	0.6
100.32334	0.5
109.06562	0.8
113.09723	16.7
135.11847	0.7
139.11311	1.1
152.99588	2.7
167.10782	3.4
168.04349	2.1
177.12941	0.8
179.10786	3.6
191.20242	0.5
195.13928	2.9
223.13438	0.5
224.06961	6.0
242.08055	0.9
249.22264	3.8
255.23326	78.0
275.20078	0.6
279.23373	0.7
279.48828	0.6
293.21265	100.0
480.31024	54.5
665.56702	0.6
708.89429	0.5
729.47601	1.1
788.54382	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49996	0.7
56.62319	0.6
71.01373	6.3
85.02956	4.6
92.23113	1.0
93.03471	1.3
105.13345	0.9
111.04513	1.1
111.72757	0.8
119.05035	2.9
135.04520	50.2
147.04530	6.1
150.19688	0.8
155.03473	3.2
161.02435	1.8
163.04008	12.8
173.04570	13.6
173.05965	1.3
179.03497	64.7
191.05634	76.6
205.05087	6.8
233.08200	37.1
245.06786	1.1
277.07172	1.8
337.09415	8.6
353.08905	8.4
424.20523	0.8
451.12531	100.0
587.02924	1.0
644.85638	0.8
789.24200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
70.71416	0.8
71.01371	4.1
85.02950	4.9
93.03434	1.4
111.04527	0.9
113.02459	1.1
119.05018	1.2
127.03911	0.9
135.04533	48.5
147.04565	1.7
155.03500	1.7
161.02461	1.8
163.04034	4.8
173.04544	10.0
179.01158	1.0
179.03517	58.1
191.05634	60.9
205.04999	7.4
233.08208	34.5
245.06732	1.1
256.77316	0.9
273.88910	0.9
277.07202	3.3
330.43716	1.0
337.09348	1.8
351.87189	1.0
353.08804	11.0
379.75729	1.0
417.80820	0.9
421.87851	0.9
433.44724	1.2
451.12561	100.0
680.91309	1.0
789.22821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
59.90040	1.3
71.01378	7.7
74.68217	1.3
85.02959	11.5
89.02435	5.8
91.92156	1.5
95.01408	5.3
96.95993	9.8
110.92578	1.6
113.02445	24.1
122.03836	1.9
134.03728	29.7
138.91029	1.5
149.02475	2.2
149.06084	19.2
150.03227	17.6
161.04553	3.1
165.05568	93.8
165.06975	3.2
166.02750	1.8
175.04015	18.0
178.02780	13.0
180.04269	5.6
181.05043	6.4
191.07123	5.8
193.05069	100.0
195.06651	49.2
196.83244	1.5
202.31818	1.6
206.05884	3.4
221.08159	20.7
233.06007	3.7
250.06303	6.6
265.07175	14.0
282.08997	14.1
291.89420	1.6
297.11380	2.8
326.08084	2.4
341.10324	57.5
357.71219	1.8
380.39624	2.1
383.11423	3.4
389.12579	18.5
431.13028	1.8
439.89496	1.8
461.14539	38.0
469.14346	2.0
521.16663	54.4
563.17682	33.2
665.21185	23.8
683.21790	20.5
789.25891	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.72443	1.5
77.04195	1.7
79.86970	1.7
97.02949	7.5
100.85594	1.6
181.12651	2.2
325.48813	1.8
409.86749	2.1
463.92886	1.7
475.51721	2.0
819.62146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
64.23380	0.7
70.71378	0.8
71.01382	1.4
84.51831	0.8
85.02938	1.7
89.02426	0.9
96.45575	0.8
113.02441	1.3
121.36578	0.8
125.02403	2.0
125.49918	0.9
137.02438	9.8
138.03238	3.9
139.03986	5.0
149.02420	4.2
150.03218	1.2
151.03975	2.0
152.04770	4.9
162.03209	2.0
164.04774	14.2
165.05545	2.0
175.00319	1.6
177.05571	2.1
179.07147	4.3
180.04280	1.6
181.05080	15.4
186.38138	0.8
190.02744	41.0
191.03499	1.5
194.05823	1.8
195.06647	25.9
202.02834	0.9
205.05067	79.5
207.06650	1.6
208.03784	3.3
209.04436	1.2
209.08237	3.7
223.06134	14.4
237.07729	1.5
266.77539	0.9
352.07864	1.4
361.13010	8.4
367.10370	38.2
375.14639	4.0
391.14072	24.1
406.16373	24.4
407.17300	1.3
421.13489	1.2
421.18750	21.7
572.47742	1.1
732.09973	1.1
789.29828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.8
71.01378	15.9
72.27401	1.0
73.02944	4.5
75.00800	1.0
83.01385	2.3
85.02951	9.3
87.00846	1.4
89.02442	6.4
92.23092	2.1
95.01366	1.5
99.00893	1.8
101.02435	14.9
104.08160	1.3
110.39214	1.1
111.00870	1.7
113.02438	7.0
119.03503	2.7
121.02929	1.7
122.03709	2.5
149.02438	20.2
150.01982	1.1
150.03215	62.1
164.04791	7.3
165.05571	100.0
168.53241	1.0
179.03362	1.2
179.05602	2.3
180.04318	9.0
181.05103	1.7
193.05138	1.3
195.06657	18.5
312.10010	4.8
325.10727	1.9
339.12451	1.4
341.10336	6.9
341.19644	2.3
342.11179	1.7
343.11890	2.7
344.08923	1.7
356.12689	9.9
357.13403	7.2
371.15176	4.6
385.13062	6.7
475.16513	1.5
503.15637	35.3
518.17969	8.1
519.19891	4.8
533.20331	49.7
567.00165	1.4
627.24268	1.8
681.25616	48.8
729.27753	58.3
741.27759	6.5
747.29303	2.0
789.29675	50.1
789.44055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
71.01379	9.2
73.02960	1.8
87.63847	2.1
92.22490	2.2
101.02451	3.0
149.02481	4.3
150.02098	4.1
150.03215	65.2
157.41353	2.0
164.04820	11.4
165.05557	100.0
180.04300	9.3
190.02736	5.1
191.05637	13.6
195.06656	28.6
205.05035	3.5
215.15887	2.4
262.12677	2.4
310.68689	2.3
341.10141	2.5
356.12744	5.0
357.13684	5.1
360.84921	2.7
385.12848	4.0
503.15668	24.9
518.18677	3.8
533.20349	69.5
582.92023	2.4
681.26288	18.0
729.27618	38.3
789.29419	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
58.05144	0.6
58.34688	0.5
59.01105	0.8
59.01383	15.1
59.65099	0.5
61.31279	0.5
71.01378	12.8
73.02932	2.8
85.02930	3.1
88.86974	0.5
89.02439	18.6
91.17319	0.6
99.00904	0.6
101.02442	12.1
113.02432	7.6
119.03486	7.4
133.10207	1.0
137.45773	0.5
153.72748	0.7
157.16602	0.6
161.04605	0.8
161.09731	1.1
163.11304	3.1
179.05605	0.9
191.05615	2.2
199.66174	0.6
223.13411	47.5
241.14445	3.6
257.98782	0.7
266.02518	0.7
401.17871	0.8
403.19791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	12.2
71.01368	1.4
71.05022	11.7
78.95869	0.9
85.02972	0.9
92.23085	1.5
93.17942	0.7
96.95374	1.2
96.96001	31.7
96.96946	1.5
97.06587	23.1
101.02461	2.9
101.09486	0.8
112.27723	0.8
113.02423	1.0
119.08659	3.4
121.06587	31.6
125.09715	21.4
137.09673	1.0
185.11839	31.5
209.11841	13.7
211.13426	18.2
233.15373	0.9
235.13405	35.7
249.15030	0.9
289.18024	9.1
299.20059	1.1
307.19193	100.0
319.22787	9.0
403.62665	0.8
481.28046	10.4
664.82880	0.8
760.64478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
59.99373	0.2
93.16064	0.2
159.49416	0.2
159.81934	0.2
162.34146	0.2
182.13145	0.3
205.19673	0.2
233.22737	0.9
252.43120	0.2
259.20691	0.3
277.21756	100.0
375.25363	0.3
413.27069	20.3
498.31674	0.2
535.90570	0.3
614.38251	0.3
789.49786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.63663	1.6
92.12567	1.7
123.67554	1.8
149.42618	1.8
166.66008	1.8
199.33330	2.1
220.04097	2.0
409.37918	2.0
519.46149	1.9
614.52484	2.4
702.00317	2.3
761.66052	2.0
789.55249	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41441	0.4
70.61368	0.4
72.99301	56.6
73.82770	0.4
92.22438	0.5
96.96011	2.7
111.00883	8.9
123.04508	17.5
135.03491	0.9
135.04517	23.7
151.04007	2.3
179.03502	61.3
197.04561	100.0
288.55585	0.4
306.07736	0.4
328.40198	0.5
343.54068	0.5
359.09875	45.2
374.10199	0.6
760.18555	3.1
790.19830	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20589	0.8
60.90191	0.7
72.99305	58.2
73.88486	0.7
75.92963	0.7
83.34607	0.8
97.21558	0.7
105.49958	0.7
109.02959	1.1
111.00887	9.5
117.38869	0.8
123.04519	19.4
135.04533	27.6
148.36166	0.8
151.03976	3.9
155.13947	0.9
161.02423	1.0
165.73798	0.8
179.03506	64.3
179.13077	0.9
197.04575	100.0
341.08490	1.0
359.09897	44.7
359.49585	0.9
447.63751	1.0
724.07623	0.9
760.18463	3.0
790.20001	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98833	3.1
71.01377	15.0
74.46547	3.7
82.34073	3.2
89.02408	6.8
96.17430	3.3
96.77031	3.9
101.02460	7.2
138.89142	3.5
345.29480	4.0
423.07526	4.1
424.08179	18.3
459.90509	4.2
478.65445	4.2
628.22089	7.3
656.21301	14.3
658.26813	16.0
686.26086	20.7
700.23798	23.7
730.25000	83.1
794.04474	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
78.48228	2.4
83.56566	1.9
122.85738	2.9
171.10275	23.1
183.10229	12.6
255.23288	87.0
277.21707	48.7
295.22821	100.0
392.18124	2.4
480.30975	56.6
790.56348	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.579
Annotation	Unknow
Peak:m/z	Relative Intensity
92.22510	1.1
95.05019	2.3
110.82728	0.7
112.07679	13.0
113.06080	4.8
129.10327	7.7
130.08734	18.9
130.44951	0.7
134.61568	0.7
148.59528	0.7
207.15027	6.3
208.13402	1.0
224.17635	5.0
225.13951	1.3
225.16096	31.1
242.18896	0.6
320.23355	4.2
320.26740	0.7
335.42673	0.7
337.26144	6.1
338.24582	10.1
433.32132	4.9
433.37311	0.7
450.34714	5.2
451.32550	4.5
513.30872	0.7
546.40320	1.2
563.43127	2.5
676.51294	1.1
772.57233	5.6
790.58228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.579
Annotation	Unknow
Peak:m/z	Relative Intensity
92.22510	1.1
95.05019	2.3
110.82728	0.7
112.07679	13.0
113.06080	4.8
129.10327	7.7
130.08734	18.9
130.44951	0.7
134.61568	0.7
148.59528	0.7
207.15027	6.3
208.13402	1.0
224.17635	5.0
225.13951	1.3
225.16096	31.1
242.18896	0.6
320.23355	4.2
320.26740	0.7
335.42673	0.7
337.26144	6.1
338.24582	10.1
433.32132	4.9
433.37311	0.7
450.34714	5.2
451.32550	4.5
513.30872	0.7
546.40320	1.2
563.43127	2.5
676.51294	1.1
772.57233	5.6
790.58228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29221	0.5
78.95900	0.9
92.23035	0.7
96.17661	0.7
108.80946	0.6
125.09693	2.6
149.09622	0.9
185.11816	8.2
197.11845	1.4
249.22302	0.9
279.23328	2.8
293.21249	100.0
437.29092	0.8
595.60284	0.8
731.51282	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
67.01868	1.3
69.76146	0.8
71.01360	1.5
74.04353	0.8
85.02931	1.3
87.00870	4.9
93.03446	18.1
99.00912	1.2
102.23692	0.8
111.04490	4.4
113.02412	6.0
114.20440	0.8
115.99149	0.8
121.50393	0.7
134.03760	2.0
135.04549	1.9
155.03577	1.5
161.02441	4.0
163.04002	0.9
173.04547	16.1
179.03575	6.7
191.05630	100.0
193.05118	5.3
239.26039	0.9
249.06122	1.2
267.07242	17.0
334.06238	1.0
353.08817	4.6
367.10345	43.8
791.26489	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59146	0.4
65.90919	0.5
71.01376	0.7
71.05018	0.8
71.93748	0.5
85.02950	6.6
92.23138	0.5
97.02940	22.4
112.98552	0.6
114.93398	5.9
115.00374	0.9
115.04002	100.0
120.10918	0.5
124.47065	0.5
171.10497	0.5
217.96571	0.5
268.03714	3.7
283.06131	16.6
365.60153	0.6
773.24963	0.6
791.41718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
60.99295	1.0
66.17129	0.4
67.01892	1.7
68.66190	0.4
71.01376	0.9
80.11797	0.4
85.02923	1.6
87.00865	5.4
87.84056	0.4
93.03449	23.4
99.04554	0.6
109.30728	0.4
111.04523	4.6
129.01933	0.6
130.48225	0.5
134.03778	2.3
149.06070	0.6
155.03571	0.8
158.46764	0.4
173.04550	12.7
173.85280	0.5
175.04019	1.0
181.05064	0.4
191.05629	100.0
193.05017	7.8
353.48367	0.5
367.10364	60.7
392.31857	0.5
406.57959	0.5
413.10648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.8
65.09077	0.7
71.01359	1.2
72.99301	43.8
76.88384	0.7
96.96011	1.3
101.02418	1.2
115.09804	0.9
123.04514	38.0
135.03491	1.2
135.04520	27.9
137.00774	0.9
137.02443	1.1
149.02461	1.6
150.03236	8.5
151.03990	7.0
161.22166	0.7
163.04019	1.9
164.04758	0.9
165.01903	4.9
166.02670	1.8
176.01129	4.2
177.01869	0.8
179.03502	46.7
180.04324	7.1
181.05122	1.8
190.02737	1.6
191.03514	19.6
194.02205	1.0
195.06685	7.4
197.04553	36.4
205.05043	7.1
207.02937	0.9
208.03767	1.0
209.04547	5.9
210.05312	1.9
211.06158	14.0
223.06029	1.1
225.07556	1.1
250.37888	0.9
251.05266	1.0
325.77673	0.8
353.08688	5.3
366.81836	0.9
367.10434	1.2
456.16321	1.0
478.44614	1.0
518.34912	1.1
520.15613	0.9
563.14117	11.5
564.14178	1.4
565.15796	8.5
791.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
67.06162	0.8
71.01383	7.5
77.13573	1.0
79.15561	1.0
87.55244	0.8
87.71082	1.0
89.02430	16.1
99.00875	37.8
101.02448	6.0
109.02938	1.2
112.37302	0.9
113.02453	12.2
119.03517	4.3
131.03506	4.4
135.04533	17.5
149.04546	5.4
153.05661	1.0
161.04572	6.2
163.04019	5.4
178.45770	1.0
181.05072	28.0
191.05649	14.7
223.99402	1.0
225.74466	1.0
252.74252	1.1
259.69519	1.0
265.47894	0.9
302.19922	1.1
315.10861	18.7
343.10498	8.4
447.15128	100.0
448.15448	1.2
449.15808	1.3
632.67413	1.2
775.54034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
67.01320	0.3
68.69447	0.4
69.02632	0.3
80.02833	0.3
87.00874	100.0
93.23972	0.4
96.16249	0.3
97.99140	0.4
109.06184	0.4
113.02442	0.5
135.98901	0.4
206.07492	0.4
347.47556	0.5
451.32388	0.4
463.62109	0.5
578.73969	0.4
668.71454	0.4
678.52728	0.4
693.94147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51433	1.7
76.47742	1.9
83.63262	1.7
109.07309	2.0
110.27927	1.9
113.02434	2.9
121.02956	2.7
122.03676	2.7
123.50319	1.8
133.02934	2.4
134.03741	3.8
136.01582	3.2
137.02431	7.7
141.34239	1.8
145.02919	13.2
146.03743	13.6
148.01694	2.8
149.02422	25.0
149.06075	10.7
150.03215	83.9
151.04027	14.6
153.05550	3.0
161.06067	7.8
162.03214	10.6
163.04016	4.4
164.04810	13.4
165.05565	100.0
166.02684	10.0
177.05534	9.0
179.03523	7.5
179.07124	9.6
180.04231	8.9
181.05098	21.5
191.05582	3.6
194.05936	2.4
195.06596	26.2
205.05080	4.1
220.07445	4.2
268.69714	2.1
280.70038	1.9
285.93207	2.4
430.96960	2.2
535.15808	2.3
565.20892	8.2
595.21997	31.2
649.23315	2.9
713.25940	3.4
725.26398	4.5
743.27167	56.6
755.27045	3.1
761.28448	2.7
773.27917	14.0
791.29309	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89420	0.5
113.01163	0.5
124.81962	0.5
152.47261	0.5
190.02780	1.1
191.05692	0.6
195.06668	0.7
205.05031	1.1
223.06274	0.8
255.06699	4.3
256.07440	1.3
270.05768	5.5
270.08890	8.6
271.06180	7.3
283.06152	0.8
285.07718	100.0
286.08493	9.9
300.10059	60.9
301.10892	7.4
331.11923	78.9
331.16010	1.3
343.21255	0.8
379.23099	0.6
443.84894	0.7
619.77875	0.6
733.70422	0.6
791.27539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76506	1.0
59.01387	1.7
59.19407	1.0
71.01373	10.1
85.02936	8.3
97.02943	5.0
101.02448	2.5
113.02425	6.1
115.03986	17.3
119.68597	1.2
126.84865	1.1
133.01453	5.6
137.99561	1.3
139.00388	5.9
139.95479	1.2
147.04131	1.1
150.03206	1.3
152.01167	4.8
153.01935	100.0
154.02715	24.4
161.04562	22.8
166.02562	1.1
167.03490	15.3
168.04272	99.7
169.05061	59.3
300.86786	1.2
331.06598	2.1
331.10403	42.5
429.14063	46.1
520.73279	1.3
649.37238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.0
71.01379	18.1
73.02944	6.2
80.14450	0.4
80.42162	0.4
81.32394	0.4
83.01395	0.9
85.02943	5.4
86.57879	0.4
87.00900	0.7
89.02442	20.6
92.23101	0.5
95.01381	1.7
95.01954	0.4
97.02944	0.5
99.00870	11.7
101.02438	27.4
101.06098	0.4
105.15443	0.4
113.02442	17.3
115.04003	0.6
119.03494	9.0
125.02396	0.8
131.03503	1.5
143.03487	2.2
149.04604	1.7
159.03024	2.9
161.04558	16.5
179.05589	0.5
180.06680	0.6
191.05591	3.0
197.08243	0.5
208.35995	0.4
219.67308	0.4
234.55446	0.4
249.06116	0.4
255.76100	0.5
259.53055	0.5
263.08737	0.9
263.11383	15.2
393.13879	0.5
395.15622	100.0
553.66760	0.4
791.26440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40998	2.0
59.01368	10.1
62.86096	1.9
68.63642	2.1
71.01371	4.3
89.02486	3.3
96.57548	2.3
99.00849	2.2
101.02463	4.7
113.02464	8.6
123.57881	2.5
147.04504	8.2
149.02431	38.5
152.69637	2.3
164.04790	100.0
168.60931	2.1
179.07156	8.6
183.05180	2.4
190.02721	8.3
205.05084	14.0
208.03741	12.5
223.06125	89.6
263.53101	2.2
291.18210	2.6
419.06055	2.5
702.56915	2.5
748.03156	2.4
791.33545	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40998	2.0
59.01368	10.1
62.86096	1.9
68.63642	2.1
71.01371	4.3
89.02486	3.3
96.57548	2.3
99.00849	2.2
101.02463	4.7
113.02464	8.6
123.57881	2.5
147.04504	8.2
149.02431	38.5
152.69637	2.3
164.04790	100.0
168.60931	2.1
179.07156	8.6
183.05180	2.4
190.02721	8.3
205.05084	14.0
208.03741	12.5
223.06125	89.6
263.53101	2.2
291.18210	2.6
419.06055	2.5
702.56915	2.5
748.03156	2.4
791.33545	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
67.99756	0.6
71.01382	6.7
72.99291	0.6
87.00849	0.7
89.02440	9.6
90.93781	0.5
92.22609	0.6
101.02436	7.0
113.02424	3.2
115.93211	0.5
119.03479	6.4
139.85239	0.6
147.04523	66.9
165.05577	10.7
171.41486	0.6
176.58867	0.6
327.10898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77359	0.5
59.01376	12.4
71.01386	7.0
83.01366	0.5
85.02970	0.9
86.04661	0.6
88.24549	0.6
89.02442	12.3
95.01440	0.6
101.02451	8.5
111.81341	0.6
113.02445	4.2
119.03477	5.4
147.04526	81.7
165.05576	11.5
264.18311	0.6
310.50040	0.6
327.10898	100.0
436.08981	0.7
482.19913	0.7
639.93469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.1
59.89452	1.0
63.61499	0.9
70.62434	1.1
71.71945	0.9
76.86726	1.0
77.80774	1.0
85.02949	88.6
85.17979	1.0
86.15688	1.1
103.04011	100.0
116.92831	1.5
171.06651	24.0
172.37076	1.2
189.07768	5.7
258.74271	1.2
275.11404	2.7
484.77173	1.4
650.94031	1.5
707.34106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
71.01379	1.5
72.99306	1.1
82.24806	0.6
83.05013	1.2
84.71446	0.7
85.02958	1.3
89.02406	1.0
95.05001	1.0
101.02422	1.0
103.10606	0.6
113.02462	0.9
119.65426	0.8
123.04528	0.7
123.08195	0.8
137.09731	0.7
163.11446	0.8
171.10286	4.1
185.11835	1.0
191.05714	1.4
197.04559	1.2
197.11844	0.9
199.13422	1.4
201.11391	3.0
209.11829	11.2
211.13446	1.0
229.14459	3.0
237.14857	1.2
249.15207	0.9
252.25009	0.9
255.16135	0.8
289.17984	1.0
325.20248	4.7
341.19766	0.8
343.21298	100.0
367.99655	0.7
381.46890	0.7
407.89819	0.7
791.36279	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.18321	0.4
63.93953	0.4
71.01379	1.1
72.99281	0.6
73.02971	0.6
80.35746	0.5
83.05016	1.1
85.02943	0.8
88.94054	0.4
89.02444	0.7
95.05024	0.7
97.06570	0.9
99.86095	0.5
101.02414	0.8
113.06122	0.6
115.07634	0.6
123.08173	1.1
135.08167	1.0
142.46407	0.4
153.09183	0.8
165.15216	0.5
171.10281	5.1
178.58592	0.4
179.03427	0.5
185.11835	1.2
191.05681	0.8
197.04568	0.7
197.11835	1.1
199.13403	2.4
201.11430	4.1
209.11865	14.0
211.13365	0.6
227.13055	0.5
229.14334	0.6
237.14961	0.7
249.15105	0.5
252.70580	0.5
255.16068	0.6
265.57602	0.5
289.18134	2.7
307.19263	2.1
325.20349	6.8
341.19766	0.7
342.20331	0.5
343.21298	100.0
447.22235	0.5
572.10168	0.6
791.38556	4.3
821.65381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.6
64.30330	0.4
65.80470	0.3
66.34291	0.4
67.07790	0.4
71.01375	0.7
74.78445	0.4
80.09617	0.4
83.05012	1.0
85.02966	0.5
90.68875	0.4
95.05041	0.4
95.12024	0.4
96.08236	0.4
97.06610	0.6
97.71645	0.4
101.02451	0.8
104.91622	0.4
106.69484	0.4
115.07639	0.9
123.08152	2.3
125.09699	0.5
127.39975	0.5
139.07637	1.9
152.62502	0.5
153.09189	0.5
163.03938	0.6
165.12820	0.5
169.12360	0.5
171.10219	2.1
181.12234	0.5
185.11801	0.5
197.11847	0.7
199.13435	1.9
201.11404	4.1
205.05077	0.9
205.12375	0.6
209.11864	20.9
211.13391	0.8
227.12920	1.6
229.14325	0.5
230.61501	0.4
267.16052	0.5
270.48608	0.4
300.02228	0.4
325.20178	2.3
343.21286	100.0
367.10403	1.0
402.67389	0.5
404.84790	0.6
593.11700	0.6
647.23810	0.6
791.28613	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37817	0.7
78.95902	27.1
78.96366	1.0
96.96923	1.5
105.24007	0.6
152.99583	100.0
171.00687	1.5
210.75650	0.7
255.23340	1.4
328.01508	0.8
337.25848	0.7
391.18689	0.7
394.41357	0.7
409.23657	56.9
412.93427	0.7
465.15292	0.7
469.45648	0.8
713.63483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69018	0.3
69.34940	0.3
73.64474	0.3
78.60081	0.3
82.90488	0.3
96.35530	0.3
103.64310	0.3
103.69286	0.3
113.09697	0.6
115.56384	0.3
177.12871	0.4
177.35179	0.3
179.14415	0.7
181.12318	0.5
182.68823	0.3
194.01047	0.3
195.13925	21.3
276.99301	0.3
277.21747	18.9
295.22821	100.0
621.65039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28001	0.6
59.79726	0.6
72.99303	48.2
85.29239	0.9
94.47525	0.8
122.05585	0.7
123.04508	12.4
127.80551	0.8
135.04520	15.9
161.67024	0.8
179.01917	1.9
179.03497	55.5
197.04568	100.0
228.05655	0.9
342.24518	0.9
359.09830	22.1
417.65518	0.8
457.13562	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11201	0.4
56.23275	0.4
56.87531	0.5
72.99303	51.2
80.03333	0.5
123.04507	11.8
135.04539	13.9
139.20212	0.5
151.03961	2.2
179.03502	55.6
197.04568	100.0
276.53699	0.6
290.87967	0.5
319.99551	0.5
346.35068	0.6
359.09872	24.2
398.03281	0.5
457.13577	75.3
732.69257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77747	0.5
66.45930	0.5
72.98890	0.9
72.99300	23.9
72.99691	1.0
79.50778	0.5
89.17493	0.5
123.04516	5.6
135.04520	7.4
147.55511	0.5
162.05605	18.7
162.06879	1.0
179.03514	29.4
197.04564	100.0
270.11377	12.2
313.25189	0.6
359.09888	62.7
432.16690	12.9
457.70703	0.6
475.28558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77819	0.5
70.80794	0.5
78.95901	3.7
84.84115	0.6
119.43516	0.5
139.95419	0.6
152.99591	8.0
169.12306	5.2
173.17682	0.7
183.13879	1.1
224.06892	2.9
255.23331	36.4
259.31912	0.6
265.46579	0.7
279.23312	14.3
295.22885	2.3
297.24384	100.0
379.32214	0.6
404.91449	0.6
408.56598	0.6
409.23657	1.4
410.23465	0.6
471.30475	0.7
480.30997	25.7
542.48920	0.7
733.71088	0.6
760.09882	0.7
792.58093	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23951	0.3
73.02947	8.5
94.86085	0.4
99.00876	2.3
99.92578	3.7
114.93365	0.4
116.92854	100.0
117.01930	21.4
118.87388	0.4
125.45368	0.4
141.46426	0.4
142.40596	0.3
183.35922	0.3
193.05003	0.7
225.02089	0.4
283.06241	1.6
527.33191	0.4
582.23853	0.4
793.32733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
71.01391	0.2
74.93592	0.2
79.71992	0.2
85.02931	1.7
85.61877	0.2
96.55693	0.3
101.02319	0.2
113.02488	0.3
119.05032	0.3
127.04011	0.5
135.04523	5.7
147.56978	0.3
161.02435	3.1
173.04588	0.5
173.77370	0.3
177.05545	1.0
179.03514	8.7
191.05630	100.0
191.68292	0.3
205.05083	2.2
214.32945	0.2
221.04620	3.3
225.10988	0.2
233.08189	2.4
251.05629	3.1
267.07236	0.3
277.07007	0.3
281.06625	3.5
319.08435	0.9
327.96078	0.3
341.08795	1.3
347.98273	0.3
349.09460	1.1
353.08810	29.3
379.10367	3.9
395.13510	0.5
439.12631	7.4
439.18222	0.5
661.59503	0.3
793.26208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
71.01391	0.2
74.93592	0.2
79.71992	0.2
85.02931	1.7
85.61877	0.2
96.55693	0.3
101.02319	0.2
113.02488	0.3
119.05032	0.3
127.04011	0.5
135.04523	5.7
147.56978	0.3
161.02435	3.1
173.04588	0.5
173.77370	0.3
177.05545	1.0
179.03514	8.7
191.05630	100.0
191.68292	0.3
205.05083	2.2
214.32945	0.2
221.04620	3.3
225.10988	0.2
233.08189	2.4
251.05629	3.1
267.07236	0.3
277.07007	0.3
281.06625	3.5
319.08435	0.9
327.96078	0.3
341.08795	1.3
347.98273	0.3
349.09460	1.1
353.08810	29.3
379.10367	3.9
395.13510	0.5
439.12631	7.4
439.18222	0.5
661.59503	0.3
793.26208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
71.01392	0.9
85.02924	1.0
89.02436	2.6
92.66020	0.7
93.03423	4.6
99.00848	0.7
110.58904	0.7
113.02450	3.5
119.03476	0.9
120.34964	0.6
125.42450	0.6
134.94095	0.5
153.10889	0.7
156.05789	4.0
161.02464	0.8
163.03993	2.6
169.06580	0.9
171.08154	25.2
173.04523	2.5
179.03496	1.5
191.05630	47.9
215.07161	88.7
229.01572	0.7
244.15878	0.6
259.06042	3.2
305.88394	0.6
337.09247	1.1
353.08844	10.7
439.12497	100.0
520.99347	0.6
561.45154	0.8
584.72064	0.7
619.76294	0.8
793.23010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
71.01392	0.9
85.02924	1.0
89.02436	2.6
92.66020	0.7
93.03423	4.6
99.00848	0.7
110.58904	0.7
113.02450	3.5
119.03476	0.9
120.34964	0.6
125.42450	0.6
134.94095	0.5
153.10889	0.7
156.05789	4.0
161.02464	0.8
163.03993	2.6
169.06580	0.9
171.08154	25.2
173.04523	2.5
179.03496	1.5
191.05630	47.9
215.07161	88.7
229.01572	0.7
244.15878	0.6
259.06042	3.2
305.88394	0.6
337.09247	1.1
353.08844	10.7
439.12497	100.0
520.99347	0.6
561.45154	0.8
584.72064	0.7
619.76294	0.8
793.23010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04411	2.1
56.48451	1.9
60.99300	9.5
63.84347	2.7
67.86591	2.0
71.20157	1.9
87.00869	11.5
88.00409	4.9
88.98797	100.0
89.02433	38.2
105.74062	2.0
195.57892	2.5
289.57993	2.4
297.55270	2.4
361.86081	2.3
575.65167	2.4
662.51758	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
66.23827	0.3
67.01894	0.7
67.18839	0.3
71.01378	2.0
87.00873	0.5
93.03445	10.5
101.02454	0.5
111.04511	3.4
113.99194	0.3
119.05021	5.2
134.03745	6.0
137.02434	3.4
149.06091	0.7
152.46555	0.3
155.03503	4.5
163.02795	0.6
163.04016	7.5
172.20137	0.3
173.04553	100.0
175.03955	0.4
191.05634	37.1
193.05064	11.2
226.06297	0.6
241.08705	2.0
260.13824	0.4
290.95905	0.4
337.09348	27.6
356.17825	0.4
367.10391	31.9
425.14642	1.3
619.20984	0.4
793.25226	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01378	1.0
60.99300	0.2
64.25685	0.1
67.01897	1.1
71.01382	2.0
83.05015	0.2
85.02937	0.2
87.00876	0.2
91.74677	0.1
93.03450	9.4
94.02612	0.1
100.33841	0.1
101.02402	0.3
109.02892	0.2
111.00868	0.5
111.04503	3.1
113.02419	0.6
115.06944	0.1
116.71779	0.1
117.03471	0.6
119.09005	0.1
130.00378	0.2
133.02957	0.7
134.03740	9.3
135.04488	0.6
137.02441	4.2
149.06068	2.0
152.17705	0.1
155.02225	0.2
155.03496	5.2
161.02443	15.3
161.73889	0.1
173.04549	100.0
174.04910	0.2
178.02760	0.2
179.03484	1.1
191.05656	1.4
193.05063	17.5
194.05351	0.2
203.07762	0.1
218.79381	0.1
241.08630	0.3
262.13391	0.1
309.79681	0.1
319.64294	0.1
367.10370	47.3
368.10562	0.2
425.14603	11.2
455.15637	0.2
456.16345	0.2
793.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40233	0.4
59.01387	0.8
60.99321	0.9
67.01885	1.8
69.03477	0.5
71.01368	0.8
84.80940	0.5
86.84737	0.4
87.00859	5.3
88.37446	0.5
88.92748	0.5
92.22481	0.9
93.03453	19.9
99.04523	0.6
101.87795	0.4
111.04524	5.2
111.05141	0.6
113.02461	1.0
129.01945	0.6
134.03752	2.3
146.21120	0.4
151.41408	0.5
155.03506	0.8
163.03999	1.7
173.04544	13.6
174.61404	0.5
175.04047	1.1
191.05635	100.0
193.05046	6.9
202.50639	0.6
211.07651	0.5
226.06398	3.1
241.08725	9.5
309.74820	0.5
337.09390	0.6
366.62524	0.6
367.10385	58.3
425.14404	0.5
619.20728	0.9
793.25562	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58729	0.4
62.19901	0.4
71.01381	8.0
72.99300	1.2
73.25790	0.5
74.02456	0.9
77.71871	0.5
89.02455	1.1
95.87419	0.6
115.00368	39.3
126.40372	0.5
128.03528	3.6
133.01433	100.0
143.04631	6.0
143.27170	0.6
160.00778	2.1
169.64558	0.6
187.75523	0.5
191.71742	0.5
210.08836	1.1
254.07964	0.9
272.09094	0.8
306.07706	9.7
356.72766	0.5
398.55600	0.7
453.47562	0.6
453.54840	0.6
475.43472	0.6
584.70874	0.6
682.16888	0.6
759.22949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66805	0.9
59.01385	29.0
69.58698	0.9
71.01386	14.4
73.02944	1.5
79.75887	0.9
85.02927	1.7
85.19805	1.0
89.02437	14.7
91.59452	1.0
93.37933	1.1
96.95994	1.2
97.02968	1.3
101.02446	10.5
113.02440	5.6
115.03983	2.6
119.03502	1.4
121.81860	0.9
135.04512	4.7
145.95657	1.0
149.02501	2.3
152.99510	1.1
163.03996	10.8
164.04817	7.3
165.01949	16.0
166.02750	5.3
177.05588	2.1
178.06232	1.6
179.03522	4.7
180.04300	32.8
183.06737	2.0
190.02730	8.8
195.06656	31.1
205.05077	24.7
207.03050	12.0
210.05333	6.5
222.05295	2.5
223.06192	6.8
225.07701	7.1
230.09431	1.9
250.09769	1.3
274.08551	4.5
285.07980	1.4
289.10846	9.1
293.10291	2.3
321.09854	1.3
343.21686	1.3
344.21527	1.2
345.22870	9.3
424.49753	1.3
469.17203	100.0
546.44135	1.6
567.20905	6.4
647.23615	10.0
695.25671	44.9
793.29840	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26615	1.0
59.01386	16.5
61.51444	0.9
62.64858	1.0
71.01383	9.8
73.02937	1.3
74.22169	1.0
74.75083	1.0
85.02974	2.0
89.02440	8.7
92.22559	1.2
94.45430	1.3
97.21611	1.3
101.02433	7.0
111.10210	1.1
113.02412	2.7
113.03603	2.4
115.04002	2.0
119.03503	1.6
125.14368	1.1
131.03484	1.3
131.04596	4.8
131.41402	1.1
149.02461	5.4
163.04068	4.5
164.04797	14.7
165.01938	22.4
166.02733	2.5
175.00339	1.2
178.06274	1.5
179.03517	6.1
179.07198	1.5
180.04286	48.6
183.06592	1.4
190.02739	38.4
194.05742	1.8
195.04854	1.6
195.06639	49.3
205.05084	100.0
207.03026	2.2
210.05316	11.6
222.05426	1.6
223.06081	10.9
225.07736	14.5
371.97324	1.5
401.12445	5.5
469.17209	78.7
479.40936	1.2
567.20886	5.1
647.23889	2.6
686.06744	1.2
695.25739	84.0
793.28613	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.3
65.74944	2.8
66.10844	2.6
71.01390	15.2
83.05053	3.5
83.10202	3.1
89.02439	12.8
96.96038	3.5
97.98835	3.0
101.02447	15.4
102.64666	3.3
102.88014	2.8
115.03985	6.4
119.03532	4.1
135.04552	8.0
149.02495	31.2
150.03200	7.1
152.01120	16.1
154.42995	3.0
163.04007	17.6
164.04778	22.3
165.05550	4.8
169.05080	3.5
171.10236	4.3
176.01166	5.6
189.09088	3.9
191.03566	30.6
193.01430	7.6
197.11827	4.1
207.03099	4.2
208.03806	13.0
209.04515	3.9
273.45071	3.2
275.09634	3.7
279.08798	4.4
307.08264	7.1
311.09097	4.0
440.13318	7.5
455.15628	46.0
521.98755	3.3
546.51385	3.7
587.32373	4.6
596.91406	3.8
695.25757	100.0
793.35620	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76694	0.3
57.03447	0.5
59.01366	0.5
69.98692	0.3
76.75508	0.3
80.26723	0.3
104.67516	0.3
106.36046	0.4
111.08160	0.3
139.11293	29.9
153.42140	0.3
183.10263	20.1
201.11342	100.0
237.73398	0.4
266.08896	0.4
268.03818	3.3
283.06140	24.1
382.85553	0.4
589.09656	0.4
788.38867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15950	0.2
88.89221	0.2
92.22458	0.2
99.92569	3.4
114.93378	0.2
116.92850	100.0
117.01921	1.4
117.44206	0.2
149.61745	0.2
149.68297	0.2
152.99544	0.3
173.40523	0.3
223.86932	0.2
245.01831	0.2
368.63693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72426	0.2
73.02946	1.1
99.00883	0.4
99.92572	3.5
100.84894	0.3
114.93352	0.4
116.92851	100.0
116.97226	1.5
117.01950	4.0
117.26617	0.3
124.49989	0.2
174.16507	0.3
243.04385	0.3
277.21786	0.3
452.33194	0.2
560.53973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.82207	1.8
59.01381	31.8
62.62100	2.4
78.95895	3.4
81.62369	2.4
82.90636	2.2
116.41430	2.2
134.04152	2.3
138.58630	2.8
152.99525	5.3
153.65585	2.3
156.54436	2.7
197.18643	2.5
227.10791	100.0
283.13400	2.3
301.14554	10.4
357.16782	3.3
659.32587	42.2
733.35999	24.3
760.12628	2.9
793.44080	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.7
64.04418	1.5
68.10831	1.4
78.95869	1.8
85.25780	1.4
110.41751	1.8
152.99611	2.8
188.81958	1.7
227.10788	100.0
301.14554	17.0
363.64819	1.8
374.36322	2.1
659.32544	41.1
733.36340	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01372	6.0
69.03440	1.0
71.04691	0.6
71.05007	6.5
74.22840	0.6
74.34145	0.7
83.05016	0.8
95.05007	1.5
97.06580	4.3
103.30565	0.7
105.69848	0.8
109.06596	3.3
111.08170	1.4
111.11860	0.7
113.06073	3.5
113.09743	1.5
116.92858	3.7
123.08175	1.3
125.09702	0.8
137.09702	3.0
149.09753	3.9
151.11279	3.3
152.99626	1.1
171.10246	1.8
185.11845	0.8
193.12404	1.6
209.11877	5.3
211.13478	1.6
213.25569	0.8
221.15329	1.1
223.13345	1.0
233.15514	1.6
237.11269	6.4
237.15041	0.9
245.19099	1.9
249.14833	1.8
249.18591	22.9
253.09299	1.3
260.91049	0.8
265.18073	1.3
271.17041	1.9
289.18118	32.7
290.41464	0.9
307.19177	100.0
479.50961	0.8
485.27405	1.5
793.38434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08252	1.0
55.39678	1.2
55.76848	1.1
59.66270	1.1
61.98834	100.0
93.02690	1.1
109.16876	1.2
145.79089	1.5
200.61543	1.3
215.70511	1.3
227.19060	1.2
240.94186	1.4
398.00797	1.6
446.75687	1.6
793.54150	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38393	2.5
61.98519	4.4
61.98832	100.0
62.34242	3.3
69.96642	2.9
79.39647	3.7
87.83076	3.6
89.02430	2.8
91.44273	3.0
236.98306	3.5
283.80896	3.0
304.23715	3.7
438.31122	3.2
522.32471	4.5
548.84412	3.3
562.62378	3.6
793.54083	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
71.05020	7.3
78.95901	2.1
84.98502	1.4
125.64688	1.3
151.19142	1.2
152.81209	1.3
152.99599	3.3
171.00597	1.6
171.10260	1.6
197.19168	16.6
223.20663	8.3
225.22282	33.0
251.20363	3.0
255.23222	6.6
269.21237	100.0
277.21884	2.5
285.24283	1.4
309.04749	1.4
420.47931	1.5
497.00357	1.6
793.49353	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25341	1.0
73.02943	10.6
89.07002	1.1
90.76477	0.9
92.22513	2.0
95.03651	1.0
99.92567	2.4
114.32413	1.1
116.07195	1.1
116.92857	100.0
117.01945	29.5
117.92867	31.1
118.01463	58.7
118.02226	2.5
118.05098	1.2
153.31532	1.0
163.60777	1.0
174.12634	1.0
196.66019	0.9
283.06012	2.6
307.91699	1.1
825.17993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01363	2.1
72.99309	2.2
73.04091	1.5
73.23167	1.5
74.65147	1.4
76.42705	1.5
81.88633	1.6
85.02998	1.8
101.02422	2.0
111.28851	1.4
113.02406	1.6
115.02365	1.7
119.03423	1.6
120.10622	1.7
123.06057	1.7
126.07571	1.6
136.49142	2.1
146.03728	10.2
161.04623	5.1
161.06110	6.9
164.04787	10.3
179.03517	3.1
179.07132	33.5
197.04512	10.1
221.06671	27.5
295.09616	2.8
309.11386	2.5
315.38745	1.7
459.15225	8.2
467.13977	17.5
482.16122	10.2
497.15240	3.3
512.16809	3.9
523.13818	2.0
572.18848	2.2
704.23309	25.6
752.54907	2.1
794.27332	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
72.99307	41.7
123.04532	10.3
135.04538	9.4
179.01939	1.7
179.03505	51.0
197.04572	100.0
221.06613	1.2
267.75610	1.0
359.09958	15.3
379.96201	1.0
457.13608	74.9
543.36652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	48.8
73.36137	0.5
84.54214	0.5
85.35632	0.5
123.04510	10.8
135.04526	12.9
153.05606	0.5
179.03506	60.2
197.04565	100.0
247.18750	0.6
330.07611	0.9
359.09866	19.0
360.01202	0.7
425.84439	0.6
457.13586	79.8
457.45840	0.6
458.14084	0.9
459.14487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26857	0.8
73.02945	8.0
92.23112	1.1
99.92581	1.8
111.11835	0.7
116.92855	100.0
117.01920	23.2
117.92871	25.9
118.01463	44.4
118.02294	1.9
118.23067	0.8
397.13495	1.9
462.15396	0.9
484.07672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
70.46166	0.7
71.01368	1.9
74.77041	0.8
79.95741	68.7
80.96517	8.4
89.02425	1.3
92.22549	1.2
95.95229	7.0
96.96008	100.0
101.73206	0.9
109.96768	0.9
118.61020	0.9
122.97608	8.4
124.34479	0.9
130.14369	0.9
135.04524	2.1
149.02426	8.9
149.32100	0.9
152.01125	3.3
163.04002	1.4
164.04813	17.9
166.02621	1.0
169.05034	1.9
179.03458	4.2
179.07086	5.0
181.05083	1.2
192.59703	0.9
193.01361	5.6
194.05812	5.5
205.04984	0.9
207.06606	0.9
208.03795	42.3
223.06152	36.9
426.27515	1.3
427.28601	1.2
433.74023	1.0
438.64166	1.0
528.09454	13.1
571.11401	35.4
589.33307	1.4
744.90918	1.1
748.47217	1.1
795.17993	83.1
795.31158	2.9
795.34271	3.8
795.38641	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
69.86646	1.3
71.01375	3.5
93.00549	1.2
93.03426	10.7
97.90624	1.3
101.02439	2.2
107.51003	1.6
111.04482	6.9
134.03725	2.5
135.04527	37.6
137.02493	3.3
155.03487	7.5
161.02435	26.9
163.04129	1.5
173.04561	100.0
178.02693	1.8
179.01909	3.1
179.03496	83.7
185.03409	1.6
191.05623	47.8
236.40742	1.5
269.47702	1.4
335.07553	13.2
353.08823	84.8
394.19211	1.5
409.84689	1.9
441.14127	25.5
650.92773	1.5
669.43567	1.6
699.45105	1.5
795.24597	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
59.07897	0.4
65.22605	0.3
67.01891	0.4
71.01381	1.6
71.77119	0.3
72.99308	5.2
79.68198	0.3
82.02266	0.3
83.04987	0.4
86.10768	0.3
87.00861	0.3
93.03451	8.9
111.00894	0.4
111.04520	3.1
115.04002	0.4
119.05016	15.4
123.04485	0.6
126.80980	0.3
127.04023	0.4
135.04529	2.1
137.02440	4.0
155.03485	5.6
158.24062	0.3
163.04007	50.4
173.04549	100.0
179.03523	6.8
191.05615	7.6
197.04573	12.4
311.00571	0.3
337.09341	61.6
359.09857	2.6
366.43430	0.3
457.07080	0.7
457.13556	17.4
457.19717	0.7
592.75928	0.4
767.95477	0.4
775.67023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	0.4
72.23135	0.3
79.56329	0.3
83.22792	0.3
85.02935	0.6
89.02484	0.3
89.50353	0.3
92.20509	0.3
93.03477	0.4
96.05554	0.3
100.31296	0.3
101.02444	0.4
111.04503	0.4
127.04005	0.5
133.02953	0.6
134.03775	0.4
135.04527	13.6
161.02437	17.0
173.04535	0.6
179.03505	15.1
181.05063	1.8
191.05629	100.0
205.85255	0.3
248.43654	0.3
254.78339	0.3
263.09235	0.6
344.98956	0.3
351.07190	0.4
353.08817	26.9
441.14090	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.4
85.02946	3.0
89.02428	0.3
92.91634	0.3
93.03439	0.5
101.02436	0.4
113.02450	100.0
119.05011	0.5
138.77687	0.3
145.02953	7.7
156.97214	0.4
163.04001	3.4
173.04562	0.8
175.04042	0.4
179.03474	0.4
189.05620	0.5
191.05655	1.9
220.06212	0.4
241.08759	0.6
247.89911	0.5
301.00278	0.4
307.08289	13.3
307.11801	0.5
367.10223	0.5
405.12027	2.1
421.11545	6.0
567.17444	5.4
681.20630	2.4
795.25806	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59104	0.7
67.01876	3.7
68.21280	0.7
68.91166	0.7
68.99568	1.7
102.39555	0.8
111.00867	100.0
112.98512	1.7
113.92168	0.8
115.72343	0.8
175.07655	3.8
177.62105	0.8
178.06310	1.3
184.47685	0.9
193.05028	0.8
220.29153	0.7
222.46117	0.9
300.21164	0.8
329.13922	26.0
359.14981	5.2
521.20288	23.7
581.41473	1.0
683.25677	1.2
795.27240	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78635	1.8
59.00175	1.7
59.01381	40.4
59.35301	2.0
71.01372	15.0
73.02937	8.3
78.71162	1.8
80.97562	1.9
85.02952	3.3
89.02417	9.1
92.06103	2.0
95.67471	2.0
96.95985	3.5
101.02438	16.9
113.02445	4.7
119.03506	2.2
121.80219	2.3
135.04510	3.8
149.02521	2.7
163.03976	8.3
164.04784	12.9
172.28117	2.0
179.07062	2.7
183.06624	2.5
190.02739	42.4
205.03256	4.1
205.05087	78.8
217.12378	2.1
222.05315	4.1
223.06198	9.4
274.15857	3.3
427.28439	4.7
445.15018	2.3
451.16177	8.4
461.18204	2.3
469.17209	2.9
501.00571	2.6
505.17178	4.5
511.18240	100.0
589.33765	6.5
647.28699	2.4
795.38379	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99760	0.6
63.57061	0.5
63.94339	0.5
67.01885	3.9
73.48548	0.8
85.02929	1.4
111.00872	100.0
117.27180	0.7
121.03794	0.6
129.01933	3.3
163.02274	0.6
174.03061	0.6
175.07632	4.2
176.06624	0.7
178.06325	2.5
191.05602	2.4
329.13974	28.4
359.15033	3.9
367.10376	1.1
427.12338	0.8
521.20447	19.4
678.79962	0.7
795.27271	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
60.99294	0.9
61.70285	0.4
67.01884	0.9
67.71189	0.4
69.03446	0.5
71.01365	1.1
81.28432	0.5
85.02952	0.6
86.65060	0.4
87.00879	5.4
88.51888	0.5
93.03452	22.9
99.00932	0.7
99.04522	0.6
101.02448	0.5
105.56624	0.5
105.96243	0.4
111.04490	3.6
113.02419	0.8
115.03979	0.5
128.74866	0.4
129.01913	0.8
134.03729	3.2
134.85175	0.5
149.06096	0.6
155.03474	0.6
159.81667	0.4
168.09515	0.4
171.82568	0.5
173.04543	12.2
175.04102	0.6
191.05630	100.0
193.05081	8.3
209.43391	0.5
223.13364	0.6
298.50684	0.5
308.35880	0.5
367.10367	57.1
380.55005	0.5
403.19669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
60.25851	0.3
60.99308	1.6
67.01898	0.8
71.01376	1.0
85.02949	0.8
87.00880	5.4
89.02442	0.7
93.03452	19.3
97.55441	0.4
103.46622	0.4
111.04513	4.8
129.01991	0.6
134.03712	3.4
155.03445	0.7
173.04550	12.9
175.03983	0.6
191.05634	100.0
193.05054	8.4
197.04675	0.5
218.65388	0.5
307.13977	0.5
367.10373	56.9
403.19934	0.7
432.30444	0.4
545.38428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52451	0.2
73.02939	2.3
85.60448	0.2
99.00906	0.8
99.92593	3.8
116.92857	100.0
117.01936	6.7
178.90237	0.2
198.58154	0.2
279.23376	0.3
280.36652	0.3
659.93011	0.2
674.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54462	0.3
59.15527	0.3
62.30572	0.3
66.08385	0.3
66.22054	0.3
73.02949	0.7
99.92583	3.5
106.97811	0.3
114.93458	0.4
116.92854	100.0
116.97210	0.5
117.01935	4.6
181.45804	0.3
273.45554	0.3
277.98676	0.3
439.45334	0.3
646.25970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70973	1.0
67.38300	0.9
92.38519	1.1
100.87511	1.2
101.02415	1.8
102.12420	1.1
104.59209	1.2
121.02937	6.8
123.64600	1.4
134.03731	54.3
135.04552	2.3
149.02431	5.7
149.06064	22.2
150.03230	27.3
150.72159	1.2
160.01601	2.4
164.04778	6.7
165.05562	78.8
170.17979	1.2
175.03983	15.8
178.02708	22.9
180.04231	5.7
187.79630	1.2
193.05064	94.2
195.06604	16.1
196.71413	1.1
233.06096	1.4
250.06349	6.0
254.09586	2.6
257.81076	1.3
267.06625	4.8
282.08939	23.7
297.11334	1.3
341.10312	24.6
371.11404	1.7
389.07764	2.2
389.12466	45.8
599.27124	28.1
624.77496	1.5
729.25800	1.6
795.34570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.6
60.63367	0.6
61.02953	1.2
63.06191	0.6
71.01372	17.5
83.01382	1.2
85.02953	5.5
89.02445	18.0
99.00918	1.0
100.69373	0.8
101.02448	14.5
103.04049	0.9
113.02445	6.9
115.00379	8.4
119.03494	4.5
133.01428	24.9
133.05075	5.0
149.06050	10.4
152.42479	0.8
161.06090	0.9
165.23727	0.8
173.06161	0.8
180.04245	3.5
183.71283	0.8
188.08484	1.0
189.09180	3.4
190.02747	1.5
195.06689	1.5
202.09958	1.8
203.10886	0.9
205.05081	5.2
206.05453	1.2
223.06259	1.3
254.12999	1.1
256.14874	2.6
271.16910	1.0
272.14246	1.5
273.31448	0.8
274.15775	11.6
287.16669	1.8
300.17374	1.1
341.21219	1.1
342.22034	4.5
409.27484	3.1
427.28598	3.8
436.21167	4.6
453.26846	1.2
470.17322	1.7
564.73932	0.9
589.33929	9.3
633.32782	4.0
697.25983	3.5
751.38708	1.9
795.38287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99389	1.3
59.01382	31.1
61.98828	11.8
71.01376	14.1
72.99312	2.6
83.01396	2.0
83.24904	1.9
85.02935	2.7
89.02436	24.9
100.34429	1.7
101.02431	20.1
113.02435	9.8
118.77928	1.6
119.03470	3.7
125.27490	1.8
137.99850	2.1
214.38193	1.9
256.14703	29.6
281.15665	2.2
333.09769	2.0
339.23376	3.4
340.20535	9.2
351.23260	3.4
409.27423	12.3
427.28830	15.6
452.19534	2.3
520.26880	10.3
589.33893	32.5
795.38147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27775	0.5
59.01106	1.3
59.01385	26.2
63.70040	0.7
64.15576	0.6
69.81277	0.5
70.71661	0.6
71.01385	14.2
72.59591	0.7
72.99317	0.8
73.02937	1.4
75.14319	0.6
79.60300	0.6
83.01383	1.0
85.02940	2.9
87.00879	1.6
89.02436	17.3
95.01373	1.1
99.00816	0.7
101.02439	15.7
105.01930	13.2
113.02465	8.2
119.03470	5.1
133.01422	0.7
135.04544	1.5
164.04799	0.8
189.09193	4.0
201.09193	0.8
202.10042	1.4
203.10802	1.0
205.05070	2.6
217.12317	1.2
221.05103	0.7
254.13051	2.9
256.14755	3.3
258.16315	0.8
271.17056	0.7
272.14200	3.6
274.15781	20.7
287.16608	3.2
289.17984	0.8
300.17383	1.5
340.74902	0.7
341.21408	1.3
342.21896	6.7
357.68738	0.7
391.26468	0.9
409.27551	3.8
427.28448	5.3
436.20999	9.0
462.22592	0.8
497.27475	1.6
511.18335	1.2
571.33258	1.0
588.33221	2.6
589.33984	21.9
633.32751	1.4
751.38989	5.0
795.38251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60863	1.0
59.01378	16.1
61.98811	2.2
66.75959	1.0
71.01387	12.1
73.02916	1.5
73.42468	1.1
73.97837	1.1
78.95910	12.1
85.02936	1.9
89.02428	13.1
95.01346	1.5
101.02434	15.2
113.02397	8.0
119.03473	2.4
132.18001	1.2
152.99620	9.6
161.04488	4.7
171.10258	1.4
192.99956	1.5
211.13214	1.7
216.29974	1.3
221.06596	2.3
229.14339	2.1
256.14719	17.8
260.00494	1.2
268.14658	6.1
270.16135	1.7
271.16721	1.1
329.23309	10.4
339.23151	2.2
402.72858	1.2
409.27322	2.0
427.28323	2.9
438.50943	1.2
589.33484	1.5
676.70758	1.3
682.31146	5.9
751.38861	2.5
795.37402	100.0
828.93329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.3
66.64698	1.0
70.89214	1.0
71.01395	4.1
71.65167	0.9
83.05048	1.4
84.95139	1.1
89.02456	1.5
96.96002	2.0
101.02469	1.5
104.73753	1.0
108.71696	0.9
113.02477	1.2
136.05318	2.0
149.06088	8.5
150.03270	1.0
156.82469	1.0
159.04521	2.3
160.05356	1.2
161.06001	1.0
166.09590	1.0
175.07701	1.3
187.07570	1.0
187.89149	1.0
189.09224	2.0
198.98933	0.9
202.10013	9.4
204.11626	4.4
217.12384	12.8
218.13101	1.4
219.14050	1.4
230.13341	1.5
254.13167	4.3
256.14703	5.2
269.15543	2.0
272.14276	15.1
274.15771	25.9
287.16498	10.7
288.17419	6.8
289.18222	5.2
300.17371	10.8
302.18945	4.4
327.23520	1.7
339.23370	6.7
342.22003	18.6
357.24353	28.1
409.27649	7.0
426.27826	11.9
427.28589	100.0
589.33832	36.6
589.43060	1.5
633.32782	1.5
795.38373	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	1.1
59.01381	18.1
62.34954	0.8
71.01372	14.4
73.02920	4.3
78.95922	0.9
85.02940	4.4
87.00889	1.3
89.02431	24.6
91.88469	1.0
100.79996	1.1
101.02446	16.4
109.53807	1.0
113.02431	11.6
116.64815	1.0
119.03504	8.7
131.03516	1.8
141.95093	0.9
143.03476	1.1
161.04515	5.6
179.05600	1.5
201.09271	1.4
203.54202	1.0
221.06667	6.0
245.35709	1.0
256.14667	19.3
281.15353	4.0
340.20609	4.4
409.27481	2.2
413.20410	1.1
427.28537	6.6
520.27057	1.0
562.02399	1.2
682.32587	2.4
751.38928	5.2
777.37427	2.1
795.38104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62217	0.5
59.14609	0.5
76.99775	0.6
77.02484	0.5
94.31709	0.6
114.55332	0.7
127.53263	0.6
133.02910	1.2
134.03734	1.0
135.04512	17.3
147.15311	0.7
148.05313	9.4
161.02440	32.0
179.01915	1.4
179.03499	40.2
308.17487	0.6
400.11102	0.6
423.79111	0.7
453.33847	4.6
510.66049	0.6
567.29004	0.7
603.36511	1.3
615.37103	7.9
633.38043	34.7
701.59943	0.7
726.41211	0.7
795.41229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4124
Annotation	Myriceric acid C
Peak:m/z	Relative Intensity
59.01375	0.3
63.14827	0.4
84.46598	0.3
92.23148	0.4
114.93376	2.1
127.40117	0.4
133.02934	2.7
134.03731	2.5
135.04527	24.4
137.02429	0.8
161.02440	31.8
168.76123	0.4
178.02705	0.8
179.03502	48.4
395.56552	0.4
453.33578	0.6
571.37775	0.5
589.38904	0.9
615.37091	10.1
633.38031	43.3
795.41235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.4
60.19113	0.4
73.02957	0.9
73.88744	0.4
96.96014	2.6
99.92580	4.7
111.00858	1.8
116.92848	100.0
117.01931	4.4
117.05558	0.4
274.51794	0.6
281.47784	0.5
299.11432	0.5
312.12665	0.5
324.22650	0.5
570.02106	0.6
795.43573	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89086	6.4
59.01387	11.8
71.01385	16.6
73.02928	17.5
85.02923	11.5
92.35767	7.1
96.75828	6.6
101.02438	32.8
113.02407	19.2
134.03745	19.1
161.04530	42.2
191.70724	7.0
193.05048	40.0
198.75473	7.3
236.53079	9.2
269.10349	10.5
272.27899	7.7
315.09363	10.0
326.68719	8.8
385.63489	8.4
401.14539	100.0
459.15073	39.5
544.80939	10.2
576.21283	8.7
736.26532	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
63.87982	0.5
71.01376	0.7
73.02951	2.3
85.03001	0.6
87.76806	0.6
89.02432	0.6
93.03455	1.3
99.11093	0.5
101.02453	11.5
113.02432	0.8
127.16166	0.6
130.08736	18.1
130.39316	0.7
131.03578	0.7
150.03380	0.6
157.83540	0.6
160.07701	1.1
160.28551	0.6
161.04501	0.6
161.31088	0.6
163.03978	4.7
165.05623	1.4
179.38965	0.5
180.06674	100.0
198.49091	0.6
202.10886	2.2
210.09557	0.6
213.32739	0.7
220.01234	0.5
222.07776	2.8
224.21490	0.6
252.08760	17.7
264.08640	0.7
269.65253	0.6
292.14005	3.6
294.10013	1.2
342.07883	1.3
342.11960	28.5
453.12552	3.2
676.25848	0.6
753.74969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
63.80507	0.5
71.01372	5.7
74.78621	0.5
76.15459	0.5
77.24815	0.5
85.06581	2.8
87.00884	0.6
89.02436	10.5
101.02440	7.2
113.02415	5.0
113.06039	2.2
115.07668	1.0
119.03484	5.6
131.07133	40.4
135.04509	6.1
144.04570	0.6
173.08232	2.2
184.72551	0.5
244.88826	0.6
293.12451	100.0
340.11917	44.0
502.17276	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41243	0.7
59.01382	3.5
59.79235	0.6
65.00327	4.6
83.01384	4.3
85.02949	0.8
86.01320	0.9
89.02407	0.8
93.03456	6.6
101.02451	1.0
107.01385	1.1
108.85357	0.8
111.82855	0.7
114.72067	1.0
119.05044	7.2
125.02422	12.3
127.11288	7.0
127.99033	0.8
132.32884	0.8
135.04512	1.2
139.11293	1.4
146.71030	0.7
151.00380	9.9
161.02446	1.5
163.04036	6.1
165.01881	1.5
175.03978	1.2
175.66885	0.9
178.02722	1.3
192.29851	0.9
193.05006	1.0
193.12552	0.8
203.12915	23.3
209.64577	0.8
234.06828	1.1
236.08469	1.6
241.08858	0.9
249.09221	4.6
251.07072	1.0
251.10829	5.5
265.04971	1.3
265.08630	1.4
266.05875	1.4
268.03778	6.5
277.08566	1.0
278.09457	8.3
281.04977	6.2
281.07993	7.4
282.05380	6.9
283.06183	19.5
293.11853	12.9
295.05978	1.5
296.06839	1.8
297.07648	10.0
302.09515	1.4
317.11880	6.1
319.09726	3.2
320.10471	1.8
321.07867	6.2
335.12988	10.6
344.10574	6.7
359.12967	7.1
361.10828	1.4
377.69595	0.9
385.10886	1.8
403.11905	100.0
423.83084	1.0
447.10934	24.3
451.93024	0.9
693.50348	0.9
753.23962	1.5
797.22900	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
92.22459	0.5
111.91580	0.3
116.92846	7.3
131.49139	0.2
161.28148	0.2
179.16391	0.3
231.02972	0.4
231.22716	0.3
263.07092	0.3
279.06680	1.6
297.07715	1.8
307.06226	1.7
323.05527	0.6
324.03348	0.3
324.06403	13.2
325.07202	100.0
332.56219	0.3
397.11020	0.4
425.10464	0.6
443.11487	2.8
561.15619	46.6
679.19562	3.4
797.24207	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
68.60306	0.4
71.01382	1.5
72.65021	0.4
75.45661	0.4
85.02946	2.5
89.02451	0.6
93.03457	2.2
100.69729	0.4
101.02482	0.5
111.04498	3.4
113.02440	2.7
119.05022	43.9
121.02957	5.1
123.04508	0.4
127.04066	1.3
134.64198	0.4
137.02423	0.8
145.02954	0.5
155.03525	5.2
160.32433	0.4
163.04019	27.3
173.04558	11.6
173.05948	0.8
173.09711	0.5
179.82291	0.4
187.07590	1.5
189.05641	0.5
191.05656	6.8
193.05014	0.5
193.36908	0.4
217.08736	7.9
261.07703	100.0
337.09375	3.5
359.46375	0.5
375.16681	0.6
435.13034	68.6
445.30011	0.5
459.43399	0.4
524.06146	0.4
623.19611	0.5
703.89020	0.5
789.86523	0.5
797.25085	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2672
Annotation	Menisporopsin A
Peak:m/z	Relative Intensity
58.82509	1.1
59.01385	1.3
62.63713	0.9
69.37795	0.9
70.12193	1.0
79.74202	1.0
93.03473	1.3
108.02158	1.0
117.03465	7.9
119.05020	79.0
122.03767	1.2
127.03966	1.5
133.02898	1.6
134.03749	12.9
135.04445	1.9
145.02956	58.5
147.04547	1.4
149.02438	2.1
149.06052	2.2
150.03218	21.0
160.01654	23.0
161.02451	12.6
163.04018	84.7
164.04817	1.3
165.05571	26.9
175.04007	87.5
177.05569	2.4
180.04311	1.7
193.05054	17.5
194.92662	1.0
195.06642	1.9
199.02557	1.2
241.10780	2.0
247.86684	1.2
254.12015	1.2
263.08990	1.4
282.08972	1.4
320.01517	1.2
341.10593	1.6
423.13406	1.8
437.14752	4.9
455.15808	1.9
542.61792	1.1
601.19324	79.7
655.20898	7.5
749.24799	15.1
779.25842	7.1
797.26709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2655
Annotation	Menisporopsin A
Peak:m/z	Relative Intensity
55.67247	1.2
59.01369	1.4
59.11366	1.3
64.50227	1.3
69.46673	1.3
71.01369	3.1
74.34338	1.4
79.35043	1.3
87.32811	1.4
92.22491	1.6
122.03771	1.7
134.03770	1.8
137.15559	1.4
149.02440	15.6
150.03217	43.8
151.04012	1.6
160.01616	3.0
161.06032	1.3
164.04770	13.7
165.05568	66.0
175.03970	14.5
179.07185	3.0
180.04256	8.3
182.73468	1.5
195.06642	21.0
197.09808	1.7
223.07605	6.2
225.05592	78.6
226.06386	33.4
227.07137	2.2
237.81953	1.7
240.07925	93.0
241.08727	32.3
251.07260	2.2
295.09900	2.7
304.62338	1.5
308.70740	1.6
311.29553	1.6
342.08981	2.2
345.11331	5.6
346.12323	2.4
359.09158	2.0
374.11752	19.0
389.13968	100.0
437.16089	54.6
440.45856	1.8
569.20129	1.9
601.21368	3.1
695.37915	1.8
749.24628	10.8
791.74371	1.7
797.26996	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.5
61.98837	1.8
71.01379	5.8
77.93314	1.2
85.02921	2.1
89.02473	4.5
101.02438	1.7
113.02444	2.6
149.02426	9.3
163.04050	1.5
164.04785	30.3
175.00429	1.5
178.06430	1.6
179.07166	11.3
188.04825	6.8
190.02722	13.8
191.03511	6.0
191.05573	1.5
197.39911	1.1
203.07149	2.2
205.05067	39.4
206.05849	43.7
206.07695	2.1
207.02907	7.6
207.06621	1.7
208.03732	12.2
221.06036	1.9
221.08209	62.6
222.05399	5.6
223.06123	74.7
237.07704	21.5
247.06197	1.9
250.04803	18.9
265.07190	100.0
280.40335	1.1
295.08267	16.2
321.07697	1.3
325.09348	19.1
367.10504	1.7
385.11435	19.5
531.18652	1.7
709.29236	1.2
737.24646	89.1
797.38977	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
64.66053	1.3
71.01385	3.7
78.94782	1.3
78.95267	1.4
84.05161	1.3
111.04498	1.6
113.02435	2.7
117.71184	1.7
122.03793	1.4
123.91655	1.5
127.04015	3.4
149.02420	13.2
150.03218	38.6
152.01152	1.9
163.04042	2.1
164.04802	33.0
165.05566	100.0
175.04031	5.7
179.07118	11.2
180.04288	6.0
190.02693	3.0
193.01353	1.8
195.06638	26.7
199.02538	1.8
205.05147	11.1
208.03778	48.5
223.06131	78.8
235.60628	1.6
371.11346	3.3
377.14410	1.7
419.13486	56.6
442.94843	1.6
457.51279	1.8
601.21393	17.0
775.81262	2.4
789.27899	1.7
797.28967	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94427	1.1
59.01382	47.0
59.88392	1.0
61.98826	10.8
62.19444	1.2
62.39942	1.0
71.01376	25.3
73.02940	2.9
83.01350	1.6
85.02945	9.2
87.00871	63.9
89.02441	22.0
99.00826	1.3
101.02438	22.7
102.41644	1.1
110.31956	1.3
113.02447	12.8
119.03458	10.7
128.41100	1.0
143.03484	1.4
161.04533	2.5
166.95247	1.1
179.05550	2.0
291.41150	1.2
327.08807	1.6
417.15735	4.6
579.20837	100.0
639.23444	1.6
671.39874	1.4
797.37903	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74276	0.7
59.01373	0.8
60.99303	1.0
61.60889	0.8
61.83830	0.7
63.14462	0.7
66.88628	0.7
67.01884	1.1
71.01404	1.0
75.83054	0.7
76.06470	0.8
85.02953	0.9
87.00867	7.6
93.03452	21.5
93.09108	0.9
111.04523	4.7
122.76591	0.8
134.03767	3.5
173.04552	11.5
191.05638	100.0
193.05048	8.4
213.00240	0.8
250.23053	1.1
367.10403	54.5
367.15100	2.0
381.61649	0.9
557.97607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79906	0.3
73.02934	0.6
75.00891	0.3
91.94233	0.3
94.45263	0.3
99.92583	3.0
109.46552	0.3
114.93406	0.4
115.04044	0.4
116.70364	0.3
116.92854	100.0
116.97249	0.5
117.01933	2.4
134.63927	0.3
138.84341	0.3
198.82678	0.3
199.67557	0.3
277.21710	0.4
464.51801	0.3
569.60645	0.3
797.43872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29458	0.8
58.75455	0.9
59.01379	23.9
71.01373	11.8
73.02932	1.2
85.02941	4.6
89.02444	15.9
101.02429	13.6
113.02444	7.7
116.95831	1.0
119.03461	6.4
139.38623	1.1
147.55432	0.9
161.04478	1.4
203.10817	4.0
256.14752	4.6
258.16174	10.7
269.22394	1.2
270.16281	1.3
271.16931	8.1
272.17981	1.4
284.17813	1.7
323.24008	1.9
341.24811	11.6
342.22211	4.0
358.21762	1.5
360.23071	5.0
393.28030	6.9
410.28168	4.9
411.29047	9.6
429.30042	9.1
522.28290	28.4
573.34283	8.1
575.35931	1.6
590.34711	13.8
591.35449	23.2
635.34686	1.5
753.40857	10.5
797.39758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.1
59.79093	1.2
63.92459	1.4
71.01386	13.8
82.65423	1.3
85.02934	2.5
88.91025	1.7
89.02438	20.1
101.02435	13.0
105.77884	1.5
106.65051	1.8
113.02442	7.6
119.03474	8.8
195.14912	1.6
203.41121	1.7
235.18880	1.5
258.16235	9.4
271.17062	7.6
282.88101	1.7
335.23990	1.8
341.24902	3.4
393.28061	5.6
410.27826	1.9
411.29065	9.9
419.95145	1.9
429.29941	6.1
493.28165	1.9
522.28595	22.0
573.34186	8.9
590.34454	16.4
591.35498	22.3
753.40875	7.4
797.39667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3976
Annotation	Phakellistatin 13
Peak:m/z	Relative Intensity
58.47609	0.5
59.01102	1.1
59.01380	26.3
61.62839	0.6
66.01819	0.5
69.52395	0.6
71.01379	13.3
72.49046	0.6
73.02934	1.0
77.98101	0.6
83.01378	0.8
85.02938	3.0
89.02440	20.6
89.02969	1.3
94.16633	0.7
95.01427	0.8
96.58364	0.6
101.02432	14.0
102.07809	0.6
111.00964	0.6
113.02435	7.3
114.65387	0.6
119.03480	6.5
203.10745	2.7
217.12433	0.8
223.06120	1.5
256.14767	5.3
258.16290	8.9
265.07224	0.9
271.16986	9.9
283.17041	0.9
324.29547	0.8
335.23718	2.6
340.20230	1.2
341.24921	3.4
342.22040	3.0
353.24927	4.1
355.22873	0.9
360.23184	2.8
393.28174	5.3
410.27960	1.2
411.29132	11.4
429.30121	6.2
522.28510	21.5
535.28583	0.7
544.91644	0.7
547.28790	0.7
573.34491	8.1
590.34698	14.7
591.35480	20.9
635.34412	1.2
737.24908	1.2
753.40723	8.4
797.39771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3977
Annotation	Phakellistatin 13
Peak:m/z	Relative Intensity
59.01382	26.8
61.98825	1.6
71.01379	13.5
84.08737	1.0
87.00919	1.2
89.02437	19.8
92.23100	1.2
101.02440	11.2
113.02433	7.3
117.30936	0.9
119.03471	6.4
195.06575	1.1
203.10709	2.1
256.14798	1.7
258.16232	14.1
271.16965	4.9
307.74826	1.1
341.24829	4.3
342.22083	2.0
353.24933	1.5
360.22949	1.7
373.90070	1.1
411.29022	7.8
429.29901	6.8
437.26978	4.7
455.27563	1.3
522.28430	21.2
590.34680	2.5
591.35229	8.6
607.40234	1.3
617.33276	12.5
797.39636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
67.71302	0.9
71.01396	4.0
86.12661	0.8
87.04516	3.8
89.02448	1.2
92.76205	0.8
101.02469	1.0
101.69095	0.8
113.02464	1.5
144.66631	0.9
149.84836	0.8
205.12326	2.2
214.55045	1.0
227.10986	1.2
229.12395	1.2
256.14713	13.9
258.16275	11.9
270.16306	5.3
271.17096	12.1
272.17999	1.3
273.18524	4.1
282.09232	1.1
284.18011	3.0
285.18604	7.0
286.19037	1.0
298.19086	1.0
323.23834	3.3
341.20999	1.9
341.24890	40.7
353.24722	1.9
358.21542	11.3
360.23093	26.9
370.25000	1.3
373.23849	3.6
411.28958	9.1
414.27908	3.8
428.29379	39.8
429.30151	100.0
444.15891	1.7
474.17151	1.7
477.19046	4.4
489.19684	2.1
519.20099	1.8
537.21301	4.4
591.35504	62.3
635.34375	1.7
668.76599	1.1
797.40259	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3979
Annotation	Phakellistatin 13
Peak:m/z	Relative Intensity
56.77746	1.0
56.95929	1.0
58.66129	1.0
59.01382	8.4
64.12952	1.3
64.26368	1.2
70.17319	1.3
70.65324	1.1
71.01366	10.7
83.60421	1.3
89.02420	8.9
101.02457	10.9
113.02413	5.9
119.03494	6.0
131.03470	2.0
160.05319	2.1
161.04584	3.4
179.05617	2.3
188.08438	2.8
189.09128	2.6
203.10779	17.8
221.06671	7.1
242.12923	1.6
257.15619	1.8
360.23117	2.5
514.11115	1.6
599.32520	3.1
670.85156	1.7
684.33636	31.9
728.32770	7.4
761.37537	1.7
797.39813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3982
Annotation	Phakellistatin 13
Peak:m/z	Relative Intensity
57.41864	0.8
59.01383	27.1
61.72491	0.8
62.21260	0.8
63.51254	0.7
67.26244	0.9
71.01377	12.6
73.02917	0.9
85.02960	3.9
85.48534	0.8
87.00851	1.1
89.02438	19.9
99.63889	1.0
101.02438	13.4
113.02444	9.5
119.03493	5.6
131.57462	0.9
161.04634	1.3
174.35992	0.9
190.02686	1.4
197.93539	1.1
203.10797	5.3
205.05035	4.1
212.39621	1.0
238.75047	1.0
256.14734	5.3
257.15512	1.0
258.16278	13.3
270.16278	1.5
271.17087	1.7
273.18811	1.7
341.24918	11.6
342.22235	2.1
360.23129	2.1
369.47214	1.1
380.51086	1.2
411.28940	8.0
419.57120	1.0
429.29944	9.5
434.53851	1.0
437.27017	1.5
513.19183	1.6
522.28369	27.3
579.29242	0.9
590.35242	4.4
591.35535	11.3
617.33154	10.4
797.39862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
62.59532	1.9
63.28417	2.3
63.28777	1.9
69.02999	2.1
78.95895	25.8
96.96968	2.4
99.00874	12.2
116.92849	15.9
126.72399	2.0
142.67197	2.2
152.99586	15.0
181.12328	9.9
192.53972	2.5
199.13501	2.8
207.10242	13.1
225.11349	42.1
241.01205	30.1
243.12383	33.1
255.23334	13.8
592.70551	2.6
737.39410	3.0
757.58453	3.0
797.41028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89701	1.4
60.21854	1.1
78.95898	26.3
90.95335	1.4
96.96951	6.6
99.00870	6.6
116.92850	5.6
117.92834	2.1
137.49594	1.3
152.99573	9.0
163.11301	2.5
181.12320	13.5
197.16418	1.4
199.13396	8.4
207.10272	18.8
223.00063	3.0
225.09158	2.1
225.11342	37.2
241.01227	30.1
243.12433	24.1
255.23323	13.7
259.02222	1.7
486.09662	1.7
659.54266	1.8
755.50690	2.3
797.40997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38280	1.0
69.23933	1.1
72.10107	1.0
78.95906	30.8
96.96947	6.5
97.65827	1.2
98.06001	1.1
99.00301	1.2
99.00852	8.6
152.99657	10.5
163.11287	1.8
177.02307	1.3
181.12373	10.2
199.13434	4.6
207.10237	15.5
223.00015	1.4
225.11322	53.3
240.98944	2.1
241.01219	36.2
243.09967	2.2
243.12384	44.7
250.12000	1.2
255.23338	16.5
259.02222	4.5
267.65707	1.2
297.03638	1.3
496.72781	1.3
582.37231	1.4
629.35706	1.5
797.41016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
65.14415	0.7
69.86320	0.7
71.01398	0.7
71.05025	3.0
78.01227	0.7
86.59213	0.9
89.02439	1.0
101.02412	0.9
112.27166	0.7
132.75485	0.8
136.36143	0.8
136.50638	0.9
146.06946	0.8
149.13364	1.0
163.14926	2.8
195.13953	5.2
203.18127	6.3
203.94804	0.8
207.13910	33.0
228.94437	0.9
246.56070	0.7
247.17039	30.9
253.09343	12.1
263.08707	0.9
265.18100	100.0
277.21838	6.0
295.22803	27.1
464.24130	0.7
531.31744	11.3
558.44501	0.9
763.93402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
59.53854	0.5
70.74195	0.5
71.01374	1.0
89.02432	1.3
95.01442	0.6
101.02448	1.1
111.08134	0.8
113.02391	0.6
127.07646	2.4
149.09746	1.1
151.11270	2.3
154.45349	0.7
155.07106	7.1
161.04425	0.7
167.10777	27.2
171.10255	11.1
177.09192	1.1
195.10265	7.3
203.18071	3.4
228.10129	0.7
237.18668	0.7
247.17075	10.3
253.09262	9.2
265.18106	100.0
277.21756	16.0
295.22821	35.8
303.69345	0.6
354.47635	0.7
417.30551	0.7
446.12476	0.7
454.88168	0.6
531.31860	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
59.38986	0.4
62.21893	0.4
62.31633	0.4
69.51295	0.4
74.06673	0.3
93.89056	0.4
111.81659	0.5
113.09749	0.8
125.09745	0.5
126.52518	0.4
127.11289	2.1
136.18114	0.5
139.01263	0.4
139.11281	5.7
157.08733	0.6
167.14380	0.5
169.12364	0.9
171.10268	23.7
181.12349	2.0
183.10237	2.5
183.13887	1.8
185.11818	4.4
193.12355	0.9
197.11879	6.1
199.13379	4.5
201.11353	2.7
211.13419	14.4
225.14796	0.5
249.18633	5.6
253.09149	0.6
275.20187	2.3
293.21304	16.5
311.22321	100.0
343.95267	0.5
736.52686	0.5
797.42114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09599	0.3
60.28152	0.3
63.28137	0.3
63.49743	0.4
65.25647	0.4
79.95741	1.0
84.24719	0.4
96.96002	100.0
134.03799	0.5
150.03203	0.5
151.48305	0.4
191.05673	0.6
193.05110	2.4
201.41107	0.4
222.60359	0.5
293.00287	0.4
367.10358	2.2
428.27875	0.4
716.72571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37927	0.6
59.01382	1.2
71.11473	0.6
72.91081	0.6
93.03454	1.2
109.02916	1.3
140.21748	0.6
144.88243	0.7
157.67004	0.7
160.04045	25.2
160.05283	1.3
163.30478	0.7
165.77837	0.6
171.52675	0.6
172.04056	0.8
175.02760	2.7
176.03514	3.2
188.03571	7.0
191.05629	20.6
192.05997	1.2
236.07138	1.3
246.05772	0.9
262.05164	1.1
263.05838	13.7
264.06656	95.0
265.07431	3.5
276.06714	1.0
277.07367	5.0
278.08276	4.4
281.07025	4.6
282.07605	17.6
318.07785	0.8
353.08841	3.9
427.12714	2.7
434.31534	0.7
444.13049	100.0
457.94290	0.7
459.29230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01408	0.4
60.99315	1.6
64.54739	0.4
67.01892	2.2
69.03433	0.5
71.01382	1.0
85.02970	1.8
87.00866	6.9
93.03447	24.3
111.04501	4.7
111.05143	0.4
114.14710	0.4
114.64377	0.5
129.01952	0.5
134.03731	6.6
138.62663	0.4
149.06102	2.9
150.03275	0.9
151.03673	0.4
155.03571	0.7
160.01634	2.2
161.02019	0.5
165.05533	3.7
166.05911	0.7
173.04535	11.7
175.03993	12.4
175.05551	0.5
176.04329	2.9
178.02733	0.7
191.05627	100.0
192.04247	0.9
192.05962	1.8
193.05072	16.2
194.05318	0.9
195.06567	0.4
207.06625	1.0
252.02734	0.5
256.96863	0.4
283.09375	0.6
343.24344	0.5
366.09985	0.5
367.10376	38.4
368.10791	1.7
381.12003	2.1
381.20538	0.5
439.16058	2.7
440.16370	2.7
495.79144	0.6
635.23706	2.2
636.23932	8.2
692.17645	0.5
798.24072	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99318	0.5
62.01392	0.4
67.01888	2.2
69.03442	0.7
71.01379	0.8
72.13660	0.4
79.88340	0.4
81.03434	0.6
83.05046	0.5
85.02909	0.8
87.00862	5.2
93.03451	27.1
111.04484	3.9
113.59055	0.5
117.03396	0.5
123.54224	0.5
134.03748	6.3
149.06079	2.8
165.25621	0.6
173.04546	12.3
175.03976	1.0
191.05627	100.0
192.04268	2.1
193.05064	14.0
207.06653	1.2
234.02692	0.6
367.10349	41.6
381.12085	1.0
798.24188	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35369	0.4
59.46791	0.4
72.99303	27.3
104.93056	0.4
115.66179	0.4
123.04520	6.6
130.38228	0.5
135.04507	7.9
141.81589	0.5
144.97878	0.5
171.20883	0.5
179.03488	24.9
191.05724	1.0
197.04555	61.9
252.04263	0.7
267.06625	4.9
282.08905	0.7
310.10858	31.3
311.11462	0.5
325.13226	100.0
340.15555	88.4
341.09039	0.5
359.09845	11.3
457.13568	58.3
632.66376	0.5
798.30518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01382	0.3
60.30931	0.3
69.03450	10.2
71.01382	4.2
72.99310	0.8
85.02951	1.8
87.00864	2.1
93.95000	0.3
97.02939	20.5
97.03577	0.7
97.61884	0.3
99.00838	0.7
111.00875	0.6
113.02449	0.5
115.00346	2.5
123.00907	0.4
129.01930	1.7
141.01936	7.0
159.02986	0.5
185.13728	0.3
191.43558	0.4
196.63641	0.4
203.01990	100.0
219.09317	0.3
255.03011	0.4
271.02399	0.4
300.02759	14.1
301.03607	0.6
316.73071	0.4
595.13318	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
63.24801	0.5
67.01891	0.8
67.04120	0.4
71.01384	2.9
71.31341	0.5
74.59653	0.4
75.08698	0.5
76.54047	0.5
77.92224	0.5
82.58626	0.5
85.02940	0.9
89.02402	0.8
93.03450	8.1
97.93782	0.5
101.02445	0.7
111.04506	3.8
121.05059	0.7
133.02910	1.3
134.03760	0.6
135.04526	48.5
137.02420	4.4
155.03532	7.8
161.01062	0.7
161.02441	35.1
173.04547	99.9
179.03503	94.2
179.05202	0.7
191.05626	51.6
266.96973	0.6
282.09024	0.6
352.58743	0.6
353.08813	100.0
445.13602	46.4
445.18228	1.0
505.62271	0.6
626.14502	0.6
780.95557	0.6
799.23419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
71.01378	0.9
72.99302	30.3
76.36119	0.5
87.10981	0.6
89.02451	0.7
107.75912	0.5
123.04514	5.8
135.04538	6.9
179.01909	1.1
179.03490	33.7
197.04565	100.0
215.05663	0.6
221.36433	0.5
312.49225	0.5
330.02866	0.5
352.86868	0.5
359.09875	76.4
404.11853	0.5
439.14429	2.4
472.61508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
71.01368	0.8
72.99300	28.4
73.25135	0.4
76.44423	0.4
81.47594	0.5
87.07330	0.4
89.02421	2.6
91.65227	0.4
94.28098	0.5
94.48828	0.4
97.02952	0.7
101.02440	0.9
113.02399	0.5
119.03461	0.6
123.04519	4.8
135.04530	6.6
179.03502	32.7
197.04559	100.0
221.06775	0.5
277.09174	0.8
359.09872	78.5
396.89032	0.5
439.14493	5.7
439.31296	0.4
601.76105	0.5
610.07434	0.5
652.99615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00835	0.3
58.09834	0.3
59.01373	0.7
66.44859	0.4
71.01364	1.0
72.99301	25.5
89.02437	3.0
90.10181	0.4
99.84958	0.4
101.02443	0.8
113.02421	0.7
117.09234	0.4
119.03481	0.7
123.04503	4.7
130.08836	0.4
135.04521	7.8
177.56512	0.5
179.03499	30.5
190.73624	0.4
197.04561	100.0
221.06709	1.9
306.79794	0.4
359.09869	77.0
439.14594	7.6
460.94858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	1.3
70.02965	10.0
71.01373	1.6
72.00904	5.4
75.07528	1.1
80.35502	0.9
86.89716	1.0
96.00907	13.8
96.17790	1.1
111.02006	1.1
113.03555	30.1
114.01955	50.3
123.05629	7.0
125.03577	1.7
131.04617	91.8
132.03004	11.0
143.04646	10.8
149.03583	11.5
157.06151	5.7
167.04622	9.8
185.05713	4.7
187.03627	1.9
193.02577	5.2
200.99544	1.1
211.03647	36.7
217.77997	1.1
229.04672	55.4
230.03043	1.3
247.05724	100.0
332.62558	1.2
409.77124	1.1
510.61609	1.4
608.87177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
60.99303	11.8
61.98839	0.5
71.01377	2.2
84.23846	0.5
87.00870	1.0
88.98793	100.0
89.02415	6.4
92.23164	0.7
229.72119	0.6
274.84134	0.5
343.62289	0.6
581.21576	1.1
799.37372	2.5
830.02887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81021	0.6
59.01371	1.3
60.55629	0.6
61.18220	0.6
62.95992	0.6
73.84056	0.7
89.02454	2.7
95.44234	0.6
107.54492	0.6
111.04521	3.0
117.03442	1.5
119.03478	1.0
119.05016	26.7
134.03731	31.2
137.02490	0.7
145.02998	0.7
149.06070	8.8
155.03481	4.3
162.03261	0.9
163.04013	55.9
173.04581	3.8
179.05531	2.3
191.05612	3.3
193.05066	100.0
265.84610	0.8
306.03012	0.7
325.09341	14.0
367.10373	51.2
375.12897	1.4
413.04056	1.0
757.03571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20213	0.4
59.46412	0.4
60.99309	11.0
63.66199	0.4
87.00854	2.1
88.00401	0.7
88.98801	100.0
89.02433	7.7
104.87724	0.6
142.57457	0.6
159.15393	0.6
185.68353	0.5
278.52979	0.5
308.57397	0.7
347.53644	0.6
396.65921	0.5
506.15106	0.5
576.36951	0.5
635.91089	0.6
684.82355	0.6
730.19568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
64.33399	0.7
71.01379	37.9
83.67740	0.7
89.02449	0.7
100.44054	0.7
105.17302	0.8
114.93404	2.8
115.00361	100.0
115.03997	0.8
116.92836	0.9
136.26494	0.7
175.07576	0.9
175.31320	0.7
193.05032	1.5
244.79710	0.7
283.06226	0.7
298.08493	1.4
311.09375	0.9
329.13873	11.2
339.08765	1.0
359.14948	3.8
494.27158	0.8
521.20288	16.0
683.25214	1.2
799.26501	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90435	0.1
59.43415	0.2
73.02942	0.3
99.92584	3.9
108.74142	0.2
116.92852	100.0
117.01923	1.2
134.54333	0.2
167.07785	0.2
247.41177	0.2
289.06244	0.2
320.88702	0.2
397.65573	0.2
401.17807	0.2
516.06927	0.2
556.69629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35838	1.1
59.01384	5.5
65.88213	1.1
65.89553	1.1
68.09287	1.1
69.18690	1.2
71.01376	5.0
72.99315	2.0
73.02911	1.4
77.00676	1.5
77.52975	1.2
84.64977	1.0
85.02951	1.4
89.02395	1.5
96.15030	1.1
96.96008	7.4
101.02426	2.7
109.58150	1.2
110.42611	1.2
113.02439	5.9
134.03844	1.3
149.02409	1.4
164.04828	12.8
179.07082	4.6
190.02757	21.5
191.03491	8.0
191.05659	2.9
197.04538	2.8
205.05064	77.3
223.06114	31.7
265.07150	1.5
318.99380	1.4
661.32153	1.5
691.33362	6.0
696.90192	1.5
799.35901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38720	0.6
66.01880	0.6
97.02940	3.1
116.92831	0.9
116.95965	0.6
117.03429	0.8
133.02966	7.9
134.03741	4.2
135.04532	86.9
137.02432	1.3
154.79758	0.8
158.20506	0.7
161.02441	73.2
178.02621	0.7
179.03513	46.5
202.04016	0.7
208.70537	0.7
215.43536	0.7
263.09338	1.3
277.21753	17.4
279.08884	2.4
423.12927	6.0
521.16772	5.1
799.39209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82762	0.5
56.70663	0.5
58.39042	0.5
79.95734	2.5
91.17019	0.7
91.86720	0.5
96.96008	100.0
109.33554	0.6
109.53846	0.6
153.65953	0.5
190.66217	0.5
191.05627	6.6
197.66788	0.7
305.38074	0.6
321.85980	0.6
367.10422	3.9
802.23749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40966	1.3
70.55050	1.3
78.95904	28.3
85.30949	1.7
96.96953	1.7
101.24297	1.4
140.01132	2.8
152.99590	99.8
164.01135	7.5
196.03772	2.9
214.08530	1.8
250.27280	1.8
268.07355	6.4
279.23315	100.0
283.09778	28.8
354.42383	1.6
476.27774	7.3
516.11865	1.9
518.28564	1.9
620.32080	2.2
651.91382	1.7
800.38348	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95808	1.2
56.20090	1.4
74.97489	1.3
78.95889	13.4
88.77001	1.7
96.96959	1.8
120.46959	1.4
146.49176	1.4
152.99590	100.0
239.09058	1.6
251.43822	1.9
255.86647	1.8
279.23315	66.1
303.47925	1.6
337.25058	1.6
389.29550	1.5
450.73230	1.7
476.27872	2.0
500.42181	1.8
512.84814	1.7
632.64453	1.8
800.38428	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37379	3.0
62.30598	2.9
69.62740	2.7
72.47462	3.0
79.54208	3.0
93.02947	3.0
93.03441	22.1
100.07693	6.0
102.05608	48.8
111.04513	13.7
116.92839	13.2
120.08373	3.1
132.72061	3.6
137.02428	15.7
155.03514	35.3
241.16313	3.2
248.69296	3.1
320.29593	5.9
364.28564	100.0
435.25668	4.6
771.88611	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1897
Annotation	Quercetin 3-(2'''-feruloylsophoroside)
Peak:m/z	Relative Intensity
55.74399	0.7
57.21289	0.6
80.05629	0.7
87.00867	1.4
87.17538	0.7
93.03454	9.6
111.04549	0.8
119.05035	1.0
124.98232	0.8
126.32547	0.8
137.02440	2.8
151.00359	4.2
155.03455	2.5
163.03993	8.9
173.04543	45.9
175.03960	1.0
178.99864	3.5
191.05621	26.5
193.05052	1.4
255.02982	3.0
271.02509	4.9
281.01431	0.7
300.02765	100.0
301.03479	37.4
302.03958	1.1
337.09344	20.3
367.10379	17.6
463.08908	87.4
464.09201	3.7
465.52170	0.8
491.95734	0.9
556.52411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88305	1.2
64.87514	1.6
65.77369	1.2
67.04797	1.5
75.80406	1.4
75.95258	1.3
84.45297	1.2
97.31293	1.2
97.77356	1.3
99.92558	1.8
107.68643	1.5
116.92854	100.0
117.01933	1.8
119.84465	1.3
132.93758	1.6
133.01445	1.4
150.94695	1.3
168.08298	1.3
168.35199	1.3
350.90674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	3.0
79.95724	1.7
81.56181	0.2
83.41506	0.3
84.60825	0.3
93.32622	0.3
94.98096	1.1
96.96003	100.0
96.96891	5.1
179.18881	0.3
273.45554	0.3
404.54489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.00491	0.8
59.01109	1.3
59.01382	23.8
59.11345	0.8
61.44545	0.8
69.84814	0.8
71.01376	17.1
72.98942	1.6
72.99306	31.5
73.02937	1.6
74.73370	1.0
74.90257	1.0
85.02941	6.6
87.60915	0.9
89.02438	27.9
96.96014	8.2
99.00878	17.4
101.02433	16.3
111.99364	1.1
113.02444	22.0
119.03503	8.3
123.04497	6.7
131.03464	1.4
134.03755	2.0
135.04530	31.7
143.03473	1.6
149.04564	2.0
149.06038	1.6
153.05507	7.2
161.04533	1.9
162.03172	1.3
172.89725	1.2
174.03212	9.5
176.04843	1.3
188.04829	1.1
189.05582	2.0
191.03627	1.8
191.05580	6.1
191.07152	9.9
202.02661	5.7
206.05873	1.9
217.05054	2.1
218.14383	1.1
220.03822	1.9
229.04999	4.4
235.06136	2.5
238.04817	2.2
264.07834	1.3
267.06720	9.8
278.05737	1.2
279.06616	6.6
279.10217	5.9
282.08978	12.0
293.04608	1.6
294.05688	2.3
294.09003	9.0
294.58691	1.3
297.11160	5.3
304.07443	1.6
305.04608	1.3
308.06970	14.5
309.07779	5.0
310.08487	1.8
315.10843	15.6
320.06934	1.7
322.08316	5.1
323.05579	7.3
323.09250	19.8
326.08005	8.1
327.08719	1.2
335.09302	1.6
338.07983	18.5
341.10336	16.6
353.10284	37.6
371.11316	12.9
429.14050	34.5
447.15143	14.0
771.24951	27.9
783.25317	35.3
801.26208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60914	0.4
57.61222	0.5
59.01377	5.0
59.85110	0.4
66.29794	0.5
67.34634	0.5
69.65157	0.4
71.01377	0.8
73.02979	0.6
77.52069	0.5
85.03003	0.5
85.76762	0.5
89.02414	0.6
100.32415	0.5
101.02502	0.8
137.02303	0.6
152.04750	0.7
161.02692	0.5
161.04491	0.8
163.17810	0.5
166.02690	15.7
181.05074	100.0
193.05008	2.1
195.43329	0.5
205.08650	2.2
221.14766	0.6
236.65929	0.6
239.70323	0.5
261.03873	0.5
306.56329	0.6
387.10828	8.9
402.13239	16.8
402.18356	1.0
417.15604	74.0
579.20886	32.8
579.30176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66206	0.2
56.90016	0.3
59.01384	0.4
63.86814	0.3
70.87972	0.3
71.01383	0.5
71.93266	0.3
72.78882	0.3
72.99303	57.7
75.00874	1.4
87.13115	0.3
94.29743	0.3
96.96003	0.3
101.02435	0.5
109.02962	0.4
113.02451	0.4
115.03977	1.5
123.04521	18.0
123.08124	0.3
135.04526	16.0
137.02434	0.4
146.52840	0.3
151.04033	7.1
153.05565	0.5
161.02472	0.5
175.08376	0.4
175.09712	3.4
178.02618	0.4
179.03506	57.5
181.05115	1.4
189.09253	0.4
197.04567	100.0
259.06143	0.4
277.07184	2.1
295.08173	0.6
341.08810	2.3
359.09973	3.1
360.61603	0.3
368.06778	0.4
417.15536	0.4
439.12613	4.3
443.15485	0.5
457.13388	1.4
537.15582	0.5
541.19342	38.2
703.24652	57.7
723.10437	0.4
791.36688	0.4
801.28473	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
71.01383	0.7
83.59546	0.6
85.02955	0.7
89.02458	1.4
99.00899	0.6
101.02417	2.8
120.76858	0.7
128.27766	0.7
134.03757	8.2
137.02444	1.0
149.06078	1.4
157.09169	0.6
160.01665	20.3
173.04634	4.6
175.04004	100.0
178.02734	0.8
193.05081	17.6
195.17162	0.6
204.04274	15.0
219.06650	35.0
277.46133	0.7
291.78610	0.8
416.85492	0.7
424.13699	1.5
439.16138	66.0
466.14737	1.4
537.19812	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84722	0.7
59.01381	32.9
71.01374	17.2
73.02941	4.6
83.01374	1.4
85.02946	5.2
87.00877	0.8
89.02435	14.4
96.52877	1.0
97.02937	3.3
101.02442	13.8
111.04603	0.8
113.02428	11.7
115.03999	11.4
119.03488	5.2
123.04558	6.0
135.04529	43.0
135.21469	0.8
153.05594	10.9
163.11235	1.3
181.12344	32.8
191.05508	0.7
195.13916	19.5
207.10211	1.8
223.13353	1.4
225.00751	0.9
225.11330	18.5
239.13023	0.9
248.09563	0.8
267.12375	5.0
297.09796	15.5
315.10880	10.5
479.22986	1.1
505.21710	1.0
523.21875	57.3
655.66315	0.8
697.77032	0.8
703.28271	22.5
801.32031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
61.22454	0.5
62.58375	0.6
68.88860	0.5
71.01385	3.2
72.84227	0.7
73.02943	0.7
85.02924	1.1
87.00874	1.4
93.03453	3.9
101.02442	2.8
101.06094	1.0
101.83883	0.6
111.04523	1.3
113.02437	1.2
134.03735	8.5
138.55722	0.7
149.06056	3.1
160.01663	17.0
161.04541	0.7
173.04530	2.7
175.03996	100.0
178.02736	0.7
191.05612	20.4
193.05048	19.4
204.04269	13.6
219.04503	1.3
219.06621	35.3
219.08685	1.2
254.98349	0.7
264.70016	0.6
353.92023	0.7
367.10324	10.9
424.13773	1.3
439.16135	64.9
456.61331	0.6
537.19800	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
60.99313	0.9
67.01876	0.6
69.03469	0.4
71.01387	0.9
72.32175	0.4
87.00861	5.4
93.03447	21.0
110.15435	0.4
111.04510	4.5
129.01994	0.4
134.03741	2.1
149.06133	0.5
155.03481	0.9
173.04535	11.7
182.31734	0.5
191.05623	100.0
192.05939	0.7
193.05017	6.7
213.42789	0.4
367.10355	58.1
504.71262	0.5
703.92767	0.4
740.23212	0.5
801.24341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62322	0.3
59.01374	0.8
59.21915	0.3
64.60418	0.4
67.01889	0.7
71.01385	1.7
85.84625	0.3
90.11604	0.5
93.03445	9.7
111.00831	0.6
111.04494	2.9
117.03484	0.4
134.03719	8.1
137.02423	4.9
149.06097	2.0
155.03502	3.9
163.03989	0.4
173.04550	100.0
175.04041	1.8
191.05669	0.5
193.05066	18.8
220.43773	0.4
236.97185	0.4
367.10382	46.7
424.41968	0.4
438.80411	0.4
441.53973	0.4
574.32874	0.4
660.39850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94740	0.5
59.01377	1.1
60.99304	1.1
67.01885	0.8
71.01379	3.5
73.02969	0.7
77.22920	0.6
85.02934	2.6
87.00874	6.3
89.02473	0.8
92.78964	0.6
93.03454	21.0
99.00863	1.0
101.02463	1.4
102.63392	0.6
111.04507	5.6
113.02470	1.4
134.03758	2.4
135.04532	3.4
161.04608	2.5
164.04826	0.8
171.14426	0.8
173.04590	11.2
173.09709	0.9
175.04002	0.9
189.09383	0.7
190.10016	40.1
191.05632	100.0
191.10785	20.9
193.05057	6.8
203.10835	0.8
233.11906	1.2
245.11723	1.4
353.16040	3.2
367.10367	65.4
387.87741	0.9
397.15079	35.4
403.19897	0.8
535.16589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01391	0.5
60.99309	1.6
62.62154	0.3
67.01892	1.7
71.01353	0.6
75.00864	0.3
75.49513	0.3
76.89178	0.3
83.05011	0.3
85.02935	2.8
87.00874	5.5
88.95206	0.4
93.03451	20.6
109.02958	0.4
111.04510	4.7
113.02411	0.6
119.04982	0.4
127.04002	0.4
129.01955	1.3
134.03732	2.7
135.62067	0.3
145.02943	0.4
155.03502	0.7
163.04019	1.3
173.04546	14.7
175.03999	0.6
178.02577	0.3
191.05627	100.0
193.05055	7.0
203.86281	0.3
231.80986	0.4
233.98332	0.3
337.09250	0.5
367.10376	54.0
413.10794	1.3
802.75922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69286	0.4
59.01386	0.5
64.08125	0.5
66.60348	0.4
67.01891	0.9
71.01379	2.3
73.70019	0.5
87.00863	4.4
92.13657	0.5
93.03453	19.8
111.04498	6.5
113.02421	0.7
119.05024	2.0
134.03735	2.7
135.04549	0.8
136.15260	0.5
155.03510	1.2
161.02480	0.8
163.04005	4.4
173.04555	30.7
175.04016	3.3
178.99808	1.0
191.05630	100.0
193.05025	9.1
216.66960	0.5
255.03044	0.6
271.02414	2.1
300.02759	31.3
300.06186	1.1
301.03476	11.6
337.09317	7.2
367.10364	57.7
463.08908	24.5
464.09412	0.7
483.62643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01369	46.0
73.02955	14.6
81.19086	3.4
85.02946	16.3
87.00869	7.2
89.02451	33.1
95.01357	5.0
96.95995	5.0
97.18717	3.9
97.81889	4.3
101.02470	30.8
102.84520	4.3
113.02446	66.2
119.03496	18.1
125.02468	6.2
138.42836	4.0
141.28156	4.6
145.02957	4.9
176.53960	3.8
593.33313	26.1
607.53912	4.7
611.34552	30.2
629.34790	6.8
653.35590	61.4
671.36884	63.2
713.37769	78.4
789.65784	4.5
801.40588	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67974	0.4
62.11964	0.4
64.80148	0.4
78.95900	28.7
88.28989	0.5
96.96960	2.8
107.14559	0.5
113.39558	0.4
126.78879	0.4
150.97990	0.5
152.99585	100.0
171.00632	2.3
186.29256	0.5
279.23309	2.5
433.23645	56.6
480.74774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.2
65.56688	0.1
67.25372	0.1
70.02968	0.4
74.71811	0.1
78.95901	18.9
91.68209	0.1
95.18011	0.1
96.00915	0.3
96.96953	3.0
112.12759	0.2
113.03540	0.2
114.01939	0.8
130.13794	0.1
131.04617	0.6
150.98050	0.8
152.99585	100.0
171.00638	3.6
205.65422	0.1
235.92165	0.2
255.23309	2.0
276.23245	0.2
373.25000	1.0
375.62192	0.2
391.25937	2.1
409.23645	46.2
424.66217	0.2
436.34055	0.1
487.73569	0.2
604.06128	0.2
823.57977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71753	0.2
66.07915	0.2
79.85011	0.2
79.95714	0.8
87.00859	0.5
93.03433	1.7
93.13134	0.2
96.86115	0.2
96.95998	100.0
111.04506	0.5
128.68922	0.3
173.04517	1.0
187.93976	0.3
191.05608	8.9
193.04987	0.5
198.24773	0.3
214.49350	0.2
286.53659	0.3
305.03696	0.2
367.10275	3.2
368.10608	0.3
424.81076	0.3
483.70789	0.2
782.63007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86331	0.4
61.39502	0.4
71.34790	0.5
116.47182	0.5
121.02950	100.0
143.08191	0.4
174.43108	0.5
192.42450	0.5
216.89532	0.4
334.72153	0.5
751.88599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	8.3
71.01374	5.4
75.01385	0.9
78.95904	14.4
88.04032	56.7
96.99290	4.3
99.57006	1.1
114.01956	1.1
115.00354	19.9
126.85787	1.3
132.03055	3.5
152.99583	35.2
153.00751	1.9
153.66821	1.0
171.10240	1.4
259.52585	1.1
267.23334	6.2
276.23337	1.5
277.21753	19.5
295.22778	6.7
296.31110	1.2
316.37225	1.1
330.24271	1.9
344.13602	1.3
346.38220	1.2
348.25534	10.9
353.03513	1.3
392.24475	100.0
409.23703	18.2
492.31201	5.8
568.70709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96833	0.6
78.95903	32.7
96.96942	2.3
150.32277	0.5
152.99585	100.0
165.53529	0.6
171.00630	3.3
283.26456	3.6
437.26788	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07900	0.9
63.28724	0.8
69.73480	0.8
70.16742	0.9
78.95900	9.5
84.81945	0.9
88.04040	4.4
119.23270	0.9
152.99580	7.9
168.04286	1.2
171.10278	34.9
208.06126	0.9
224.06949	10.0
267.23303	90.7
277.21732	59.7
295.22803	100.0
392.24463	9.8
409.23611	1.6
492.31024	77.0
554.23486	1.0
743.49493	1.3
752.42273	1.4
801.38074	1.1
802.42358	1.9
802.56262	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.6213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52051	0.1
96.27831	0.1
139.79776	0.1
140.87793	0.1
298.21210	0.1
427.91550	0.1
453.68604	0.2
459.62823	0.1
487.34348	100.0
488.34723	0.7
489.35291	0.6
504.22134	0.2
689.51666	0.2
729.33325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
57.36433	0.2
59.01386	1.1
67.01871	1.4
69.03443	0.5
71.01375	1.8
81.25826	0.3
85.02943	1.1
93.03445	9.7
109.02908	0.3
111.04504	3.2
111.95173	0.3
119.05010	8.7
121.02934	0.4
122.14249	0.3
134.03757	4.3
137.02434	3.8
145.02982	0.5
148.99522	0.3
149.06070	1.1
155.03500	4.4
161.02368	0.9
163.04015	5.6
173.04549	100.0
179.03551	0.3
189.05534	0.4
191.05640	7.8
193.05074	15.4
217.08717	1.2
261.05142	0.6
261.07703	10.9
337.09360	3.8
367.10355	14.4
391.19635	0.4
401.14551	0.4
435.13004	40.9
441.14188	1.4
525.54871	0.3
785.38544	0.3
803.30273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
71.01363	1.3
96.84792	1.1
98.02464	1.3
101.02442	4.9
105.01893	2.7
113.02433	1.9
117.03457	1.6
120.38047	1.2
134.03741	61.3
135.04518	2.0
137.02464	5.0
149.06091	21.1
151.04005	1.2
152.30858	1.3
160.01651	7.3
162.62735	1.3
165.01883	18.0
165.05516	2.4
175.03990	20.1
178.02715	30.2
179.03497	3.0
180.04282	32.3
193.05064	100.0
194.05893	1.9
195.06633	63.2
210.05344	14.0
225.07707	12.5
227.08223	3.1
228.97110	1.4
256.07437	1.6
269.08078	1.8
271.09906	1.6
297.07742	14.2
312.10123	16.7
341.06708	2.4
356.09015	6.5
371.11423	16.6
383.13754	1.7
385.13141	1.5
419.13501	39.0
577.19354	30.7
750.69080	1.5
803.27771	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.37420	0.8
63.29823	0.9
66.84077	1.0
71.01375	1.1
81.07159	1.0
89.02471	3.1
97.31213	1.0
113.02419	4.6
121.02937	5.3
122.03725	1.4
122.42036	1.0
131.46527	1.2
133.02933	1.3
134.03740	57.8
134.08005	0.9
135.04512	1.7
137.02415	2.1
147.04503	1.3
149.02463	5.3
149.06084	20.4
150.03218	26.0
160.01666	7.8
164.04758	5.2
165.05560	62.9
175.03995	27.0
178.02731	23.4
180.04247	4.4
193.05063	100.0
195.06664	11.8
234.06807	1.4
239.07310	1.1
241.00690	1.1
250.06293	6.0
254.09508	1.3
267.06549	2.0
282.08990	18.1
341.10355	21.5
346.74905	1.2
349.81418	1.1
355.75821	1.0
371.11441	2.1
389.12451	40.2
413.14514	5.1
607.20422	41.7
755.25513	2.5
788.52856	1.2
803.27771	62.4
823.82538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
71.01369	0.8
73.02937	0.9
85.02959	1.0
87.22836	0.5
93.89215	0.6
101.02458	1.0
121.02954	2.7
122.03764	0.9
123.04401	0.6
128.09158	0.6
147.04518	0.9
149.02438	16.3
150.03220	39.5
150.63248	0.6
152.01143	3.2
163.03993	1.3
164.03410	1.3
164.04796	42.3
165.05562	100.0
169.05069	1.5
177.11258	0.7
179.07144	10.8
180.04279	8.1
190.02684	6.4
193.01393	2.6
195.06633	20.7
196.35069	0.6
199.77382	0.6
205.05052	13.0
208.03778	52.4
223.06126	86.2
263.07108	0.7
264.07901	0.7
280.07285	1.0
312.10043	3.7
344.42151	0.7
371.11237	7.2
419.13513	57.3
607.20306	17.0
803.27692	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07545	0.6
59.01372	3.2
71.01371	1.4
72.99306	65.2
89.02431	2.5
95.97601	0.8
96.00729	0.8
101.02434	1.4
103.22749	0.7
106.44183	0.7
110.24512	0.6
113.02422	0.9
123.04501	12.3
134.03720	0.9
135.03510	0.8
135.04529	22.0
151.04054	2.8
179.03510	69.1
193.05081	5.5
197.04570	99.2
248.47000	0.7
313.40021	0.6
407.50546	0.8
616.02942	0.9
641.99933	0.8
696.45709	0.8
803.33588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83871	0.9
59.01381	100.0
71.01370	15.4
73.02941	5.2
85.02946	7.0
89.02438	4.6
92.22513	1.3
97.75689	0.9
99.00866	1.1
99.58873	1.0
101.02434	13.1
113.02448	10.0
140.98779	1.0
144.15417	1.0
159.02956	1.2
161.04564	6.1
315.18140	7.4
322.09427	1.0
357.19214	31.6
416.70340	1.1
431.03226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49107	1.2
78.95899	22.6
87.46015	1.5
96.96970	2.8
143.08865	1.6
152.99583	100.0
167.53593	2.0
171.00670	3.2
305.25476	1.8
433.23615	37.0
498.08609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32025	0.8
56.73803	0.8
71.88150	0.8
73.09835	0.7
78.95902	28.1
88.45916	0.7
96.96953	1.8
112.76267	0.8
143.13731	0.8
152.99585	100.0
171.00606	2.1
255.23425	3.4
272.46432	1.0
310.44928	0.8
393.27551	3.7
409.23679	51.4
703.71442	0.9
802.87421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
62.85160	0.2
85.35361	0.2
105.30079	0.2
128.18776	0.2
183.72794	0.2
189.15111	0.2
193.17833	0.2
259.20593	0.4
275.20239	0.3
277.21753	100.0
279.23325	10.2
279.26428	0.3
424.56973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01471	0.8
58.28688	0.9
61.96798	0.9
70.45162	1.0
72.99300	80.9
81.37218	1.0
109.02946	1.2
111.00868	19.4
122.03723	1.1
123.04506	33.2
134.03709	5.7
135.04524	33.7
151.03986	8.7
165.05606	2.2
170.37355	1.0
178.02625	2.0
179.03497	78.3
193.05040	6.5
194.05412	1.1
197.04562	100.0
211.06100	10.6
242.94839	1.1
277.88028	1.2
286.05347	1.1
359.09872	58.1
370.07318	7.7
386.52087	1.2
460.87189	1.2
530.14600	3.8
608.20642	5.7
692.19965	34.2
760.22394	4.5
804.21301	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
63.15645	0.5
68.17355	0.5
69.59872	0.4
71.01380	1.3
72.99313	0.8
89.02410	1.0
100.04053	0.5
101.02434	0.9
112.04064	0.6
113.02422	0.8
119.03499	0.6
123.04512	2.8
128.03526	10.6
129.01941	1.0
135.04507	2.3
143.83812	0.6
146.04575	1.3
146.08223	1.0
152.07143	0.7
157.34189	0.5
179.03409	0.8
191.07144	0.8
197.04605	2.8
202.08775	0.9
220.09789	23.2
236.09286	8.3
238.10753	3.7
246.07637	0.9
264.08783	26.2
278.10275	0.7
282.09848	51.1
290.08676	0.8
324.10898	0.7
359.10001	0.9
394.51572	0.6
400.16177	2.9
426.14066	3.2
444.15161	100.0
613.41522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16866	1.9
69.68970	1.9
72.65572	1.8
74.10823	1.9
78.61768	1.7
78.95898	4.1
99.46050	2.0
116.59667	1.9
119.74068	1.9
142.09061	2.1
152.99580	2.3
171.10236	10.8
177.66788	2.0
195.13971	11.0
224.06911	10.3
234.29140	2.0
269.24869	100.0
277.21790	30.4
295.22818	55.6
494.32513	87.2
494.39246	3.9
745.51355	2.6
804.57684	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.72399	0.5
62.48933	0.6
63.90416	0.5
66.42790	0.6
70.80484	0.5
72.02390	0.5
74.06621	0.5
79.00911	0.5
81.03455	2.5
82.63491	0.6
83.05018	1.2
91.23154	0.5
93.03446	2.1
111.04514	38.2
111.05285	1.3
116.92812	1.2
119.04985	3.3
127.04008	100.0
137.02432	8.3
142.86017	0.6
145.02940	10.0
155.03503	75.9
158.99052	0.6
161.02461	2.2
163.04028	8.0
171.42413	0.5
173.04567	0.8
178.02731	0.7
178.30766	0.6
189.05597	1.0
191.05637	1.2
193.05005	0.6
199.02498	61.6
214.60088	0.6
217.03561	2.5
307.68179	0.6
340.86844	0.6
352.32080	0.6
363.07266	37.2
363.11469	1.5
409.15131	2.3
425.15100	0.8
438.71072	0.7
441.14255	2.3
443.15594	2.8
462.25681	0.6
805.29559	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27790	1.0
71.01376	2.3
75.05116	1.2
81.46422	1.1
85.03003	1.1
93.03444	10.1
102.69273	1.3
135.04515	19.8
137.02449	1.5
153.01949	2.2
155.03445	2.9
161.02411	1.7
173.04562	47.8
179.03520	31.9
191.05623	38.2
191.07178	1.1
205.05089	21.5
217.05049	5.5
233.08182	20.1
245.06628	6.9
267.95724	1.3
277.07156	24.1
353.08841	8.5
389.83908	1.3
451.12491	100.0
524.65527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55664	0.4
59.01363	0.4
66.44913	0.5
67.58374	0.4
69.46830	0.4
71.01389	0.7
76.15909	0.4
85.02967	0.9
93.03448	4.4
94.16093	0.4
98.01025	0.4
111.04491	2.4
115.74454	0.4
134.03716	0.5
135.04526	23.3
137.02460	3.4
155.03508	4.9
161.02466	2.9
170.59380	0.6
173.04552	87.6
179.03510	68.9
182.33722	0.5
191.05630	100.0
191.73492	0.5
193.05032	2.5
204.71222	0.5
205.05048	6.2
233.08160	7.2
277.06885	0.6
350.05643	0.5
353.08823	35.4
451.12534	90.0
679.58069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81713	0.6
71.01372	3.6
74.15393	0.8
84.21004	0.6
85.02943	5.4
87.00877	0.7
93.03470	2.9
107.03062	0.7
111.04512	1.3
119.05005	3.0
128.77347	0.7
135.04523	37.8
147.04501	3.1
155.03491	3.2
161.02464	3.5
163.04010	3.5
173.04532	14.3
179.03503	54.7
191.05626	100.0
204.28247	0.8
205.05095	6.9
233.08180	29.3
277.07169	3.5
337.09308	2.7
353.08804	21.5
451.12518	93.7
534.27679	0.8
583.77490	0.7
770.47961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.6
59.16296	0.7
63.97585	0.8
71.01381	1.8
72.98949	0.9
72.99280	7.0
75.00862	1.0
81.03455	1.3
81.07236	1.0
83.05031	6.7
84.73254	0.9
85.02932	2.1
90.87910	0.8
93.03439	1.9
99.00935	1.1
109.02905	1.2
111.04507	32.7
113.02446	3.7
115.03990	4.8
119.05017	4.5
127.04011	100.0
129.05554	3.9
134.03737	4.3
137.02454	6.3
145.02922	4.1
155.03502	93.1
155.31712	0.9
158.38449	0.8
163.03957	8.4
171.03023	1.5
173.04565	1.5
189.04083	1.3
193.05019	10.3
199.02495	85.0
204.00627	0.9
207.17059	0.9
217.03542	65.0
249.06148	5.5
267.07056	7.0
363.07275	38.2
367.10184	1.8
368.10910	1.0
409.15146	1.5
411.09424	5.2
433.87372	1.1
486.28809	1.1
554.76746	0.9
805.27747	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09175	0.4
63.90441	0.4
67.01868	0.6
70.53707	0.4
71.01373	1.1
85.02961	1.1
93.03448	4.7
111.04540	1.6
113.02408	0.4
135.04526	17.6
137.02437	2.9
155.03549	5.8
161.02457	1.0
173.04558	100.0
179.03505	44.2
186.51233	0.5
189.09433	0.4
191.05632	25.4
205.05060	5.9
233.08192	7.4
277.07150	1.0
353.08884	16.5
383.26321	0.5
440.34064	0.5
451.12543	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56769	0.4
59.01382	0.6
63.99223	0.5
71.01377	1.2
71.66299	0.4
72.99302	57.7
73.02991	0.6
87.00851	0.8
101.02444	0.9
107.05039	0.6
109.02917	0.9
119.89758	0.7
121.02921	0.6
123.04511	41.7
128.85072	0.5
134.03763	0.9
135.04523	37.2
135.79465	0.5
149.02428	0.8
150.03175	3.4
151.04022	4.1
163.03926	0.7
164.04765	0.8
165.05563	3.6
176.01160	9.3
179.03500	47.3
180.04329	0.8
190.02669	0.9
191.03517	31.2
192.04279	0.7
193.05145	0.9
194.02171	2.3
197.04570	37.7
205.05034	3.5
207.06670	0.6
208.03833	0.9
209.04564	9.0
211.06126	13.1
213.83849	0.8
223.06161	1.0
228.58868	0.5
251.05588	1.1
307.05911	0.6
331.26367	0.6
338.06137	0.9
353.08887	6.3
517.06604	0.6
565.15680	16.7
593.18781	4.3
805.25647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	12.2
78.47641	1.2
88.10313	1.4
101.01849	1.3
115.00362	40.9
133.01424	100.0
153.91650	1.6
156.12593	1.3
157.11766	1.3
174.23619	1.6
208.80559	1.5
246.58696	1.4
468.13007	17.6
793.38818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98809	2.3
64.46884	2.0
65.59415	1.9
71.01381	2.6
71.77354	2.1
72.74026	2.4
72.99300	8.7
76.34628	2.4
85.30688	2.2
89.02431	3.9
101.02424	3.4
123.04462	2.9
134.09198	2.3
158.89468	2.4
179.03522	10.0
197.04556	8.5
205.05014	2.7
406.38663	2.5
408.95517	2.3
469.17462	10.9
657.88013	2.1
755.28198	5.3
805.26270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.26847	1.0
67.89622	0.9
77.14603	1.0
78.95881	1.6
152.99567	2.2
228.26610	1.3
352.93140	1.2
381.87112	1.1
512.09015	1.4
517.13373	1.4
778.71765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
69.52876	0.7
72.85014	0.9
99.50502	0.8
137.02428	10.9
145.02934	1.7
150.03227	1.9
151.03978	1.9
152.04782	5.3
153.05627	0.9
161.02457	1.2
165.01910	40.4
165.05591	12.9
166.02678	13.4
167.03409	1.4
177.05496	1.2
178.02737	0.9
179.03502	16.8
179.05713	0.8
179.07106	1.4
180.04280	59.6
181.05066	41.8
187.04135	0.9
190.02713	0.9
190.06320	1.6
191.03465	1.8
193.05077	3.4
194.05870	7.9
195.02998	1.7
195.06635	75.1
197.79832	0.9
198.05255	1.0
205.05043	9.6
206.05658	1.7
207.06648	1.6
208.03778	1.6
210.05353	18.4
219.06694	1.4
220.07439	8.1
223.06062	3.5
225.07672	23.6
249.07719	1.5
272.65189	1.0
345.09900	1.1
359.11346	1.2
371.11310	1.9
387.10818	6.7
387.15189	1.7
388.11728	0.9
402.13205	5.1
403.13947	1.3
416.14691	4.1
417.15619	19.3
565.17401	10.7
580.19885	1.3
583.21588	1.3
595.21930	35.1
625.22797	1.6
643.24030	100.0
805.28992	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90579	0.3
61.80374	0.3
63.38881	0.4
70.42540	0.4
71.05009	2.0
83.05039	0.4
83.20887	0.4
88.04683	0.4
99.27983	0.4
125.09707	1.6
127.11275	12.3
147.18463	0.4
153.09207	2.8
167.84979	0.4
171.10272	29.6
177.71344	0.4
260.20218	0.4
268.03775	18.6
283.06131	100.0
402.99759	0.3
407.10788	0.4
633.18213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12743	0.5
59.01397	0.7
60.64902	0.5
62.78588	0.5
69.96399	0.5
71.05011	0.9
73.02926	0.7
83.04917	0.5
99.00883	0.5
99.08144	3.0
113.02418	1.8
125.09748	0.6
127.11270	6.7
171.10278	18.6
217.20578	0.5
222.43327	0.6
268.01129	0.9
268.03778	17.8
283.06146	100.0
358.10864	0.5
409.04022	0.5
633.18292	8.9
772.09650	0.5
805.42694	0.7
829.23297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21141	1.4
58.67448	1.4
59.01377	13.5
66.42039	1.5
71.01367	13.5
85.02943	2.6
89.02424	12.0
96.96017	2.2
101.02441	6.2
113.02445	6.9
119.03484	3.8
136.01659	2.3
137.02452	1.9
150.03162	2.1
151.04034	7.9
152.04820	2.8
165.01947	21.9
165.05551	11.8
166.02707	16.5
179.03490	9.5
179.05627	2.5
180.04295	43.6
181.05070	39.6
191.05591	6.2
193.05049	4.0
194.05852	3.7
195.06650	67.4
205.05101	7.0
210.05342	11.0
220.07390	4.0
225.07733	18.4
291.68597	1.7
301.00006	1.8
343.21451	2.2
371.11240	2.2
387.10672	3.7
402.13046	2.8
416.14542	2.0
417.15582	17.9
565.17218	6.7
595.21881	25.4
625.22913	2.4
638.95227	2.1
643.24097	100.0
643.35236	6.2
785.66052	2.3
805.28931	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	2.5
59.01376	1.2
61.39135	0.6
70.02981	6.3
72.04536	0.6
74.02471	24.7
91.02312	0.6
96.95995	2.5
98.02476	5.3
102.92722	0.6
116.03535	18.6
116.05003	5.5
121.44434	0.6
127.03994	1.0
133.11099	0.6
137.02412	0.7
155.03531	1.3
159.09300	2.4
162.46109	0.6
199.02451	0.7
201.10368	5.7
203.08290	50.6
217.03497	1.5
245.09331	100.0
289.08350	13.4
289.11423	1.0
389.58707	0.6
450.64313	0.6
474.45248	0.7
701.02747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
62.81804	0.7
67.01894	1.4
71.01389	1.6
75.38416	0.7
85.02953	1.1
93.03456	16.5
107.27901	0.7
109.02899	1.2
111.04506	3.7
134.53900	0.7
137.02446	3.5
149.89395	0.7
155.03499	3.6
173.04550	100.0
191.05632	29.1
269.77765	0.9
349.10944	1.3
363.12442	0.9
403.02209	1.0
435.18137	3.0
450.20538	1.0
487.24939	1.4
539.32001	1.1
540.28766	1.0
555.31396	22.7
557.32849	5.5
581.29144	1.6
587.33734	4.7
599.30176	3.4
673.24628	0.9
773.35718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33043	0.5
59.01376	0.8
67.01882	1.3
69.03451	0.6
69.09425	0.7
71.01370	0.9
85.02946	4.4
87.00862	1.4
93.03446	15.9
109.02911	1.1
111.04510	3.5
118.94399	0.7
127.03986	1.3
137.02434	2.6
155.03482	1.4
166.31430	0.7
173.04544	66.1
191.05626	100.0
280.31982	0.9
302.09622	0.9
349.11130	0.8
351.12091	0.7
360.49509	0.7
363.12231	0.8
365.49182	0.7
417.17389	1.3
430.99762	0.7
435.18100	2.7
555.31232	14.4
557.32782	3.4
581.29193	9.0
587.33502	2.5
599.30304	1.6
613.31616	0.9
773.35455	11.7
801.27228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36896	1.5
82.23671	1.5
87.00867	1.7
87.77654	1.6
93.03443	3.6
96.65999	1.6
108.02171	1.6
111.04549	3.5
123.04513	2.9
149.06116	3.6
154.64775	1.9
155.03529	4.1
173.04533	15.7
191.05637	100.0
245.08882	1.7
259.34000	1.7
305.11948	1.9
349.10718	2.3
361.10330	2.0
363.12408	2.3
375.12451	2.3
389.18155	2.4
391.18863	2.1
403.19321	2.3
407.18393	3.2
417.16907	3.4
427.22821	2.3
435.17981	16.3
450.20605	10.7
471.21609	3.2
473.23511	2.8
475.24841	3.1
487.24823	2.9
527.31366	2.7
555.31201	64.0
556.31555	2.2
557.32697	31.5
573.32489	9.7
581.28973	3.0
587.33948	39.0
613.32166	2.4
773.35962	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55948	1.1
56.84699	1.2
57.53876	1.2
59.01384	11.5
61.98848	1.3
71.01372	6.8
71.05015	5.4
74.00567	1.4
76.22612	1.3
89.02425	14.3
101.02427	5.7
113.02527	4.6
119.03496	2.7
134.64963	1.3
137.09749	9.9
161.04536	1.5
167.54964	1.4
171.10274	23.1
179.05632	11.2
183.13962	2.1
185.11789	5.5
185.23857	1.2
233.15480	1.7
235.17006	1.7
245.44060	1.8
251.16605	11.5
266.23453	1.3
291.19675	35.8
298.74118	1.4
309.20743	100.0
315.19733	6.0
333.20758	52.2
651.05048	1.5
681.43732	1.5
715.31696	2.1
805.31207	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35394	1.8
74.44456	2.0
121.10232	9.9
125.09695	7.7
131.27452	2.0
142.94479	2.3
170.55751	1.9
185.11833	16.2
197.11931	3.8
225.00769	3.8
246.34445	2.0
277.21716	7.5
278.13702	2.1
291.19699	100.0
293.18106	2.5
599.02014	2.2
678.37494	2.3
805.41052	13.5
832.04974	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01376	1.9
59.01643	0.4
61.24548	0.4
71.01360	0.4
73.08691	0.4
73.65569	0.4
78.95899	3.2
80.61805	0.4
89.02422	0.4
89.38834	0.4
93.07130	0.5
101.02444	0.6
111.08150	2.3
113.09718	6.8
119.04971	0.4
120.21665	0.5
121.10239	4.4
123.08163	0.5
125.09706	2.9
135.11812	0.5
139.11304	4.1
152.99622	6.4
165.12886	0.6
167.10721	0.8
179.14558	0.4
185.11803	4.9
187.80106	0.4
197.11853	1.8
209.11876	0.5
229.19565	0.8
247.20766	4.1
253.09314	2.8
263.20135	9.5
273.18686	6.3
277.18701	0.6
277.21753	25.2
291.19708	100.0
364.34958	0.5
513.30865	1.8
805.37689	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
60.97727	0.3
61.44455	0.3
64.96290	0.3
71.01371	1.5
71.04991	0.4
78.87481	0.3
89.02425	2.9
101.02427	3.5
103.17442	0.4
109.06577	0.4
113.02448	1.5
119.03466	0.5
121.10223	1.8
143.03439	0.5
161.04536	1.6
169.15848	0.4
171.10300	4.8
182.13138	0.5
183.10307	0.7
183.13899	11.9
190.03314	0.4
195.13916	6.3
196.14714	1.5
211.13452	3.3
223.13382	3.6
231.21237	2.1
235.08159	0.9
235.17058	11.7
253.09309	15.6
256.13141	0.5
257.19003	0.6
265.21762	1.5
275.17130	0.9
275.20187	28.2
293.21262	100.0
511.29169	3.0
529.30298	8.5
553.53455	0.4
569.42578	2.9
637.80975	0.5
648.49274	0.4
805.51703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.7
68.21565	0.5
71.01376	0.9
75.93443	0.5
78.30875	0.6
81.50693	0.5
89.02436	2.3
91.56273	0.6
94.16697	0.5
101.02439	2.6
109.06615	0.7
113.02411	0.7
119.03534	0.5
155.52953	0.5
157.09895	0.6
161.04544	1.3
174.25655	0.6
182.13104	0.9
183.13902	20.2
211.13365	5.4
231.21127	1.0
235.08391	0.8
235.17058	20.3
253.09322	12.0
275.20206	31.8
289.30960	0.6
293.21268	100.0
511.29047	2.4
529.30359	6.8
569.42212	1.4
805.51813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.55827	1.1
67.83909	1.4
137.52386	1.5
251.78891	1.7
255.23236	2.6
259.24179	1.6
303.23337	100.0
314.61038	1.4
348.15152	1.3
396.85413	1.4
414.55286	1.6
419.19745	1.3
448.45480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49909	0.5
66.47121	0.4
67.01864	0.6
72.99301	33.3
111.00111	0.9
111.00867	22.5
123.04492	7.2
131.16895	0.5
135.04526	7.9
148.83549	0.5
179.03494	36.3
197.04559	100.0
211.06064	0.7
351.40735	0.5
359.09875	46.5
373.11356	0.6
471.11459	46.4
584.81708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77943	0.3
59.01401	0.3
89.02432	0.4
102.05605	0.4
102.66274	0.3
160.04041	100.0
204.03047	6.0
204.72055	0.3
238.08832	0.3
269.94791	0.3
349.50378	0.3
366.08322	50.2
474.55899	0.3
535.97955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65197	0.4
60.11678	0.4
68.68138	0.5
72.99303	25.8
78.41111	0.5
92.22594	0.7
101.10218	0.5
107.05059	0.6
120.01200	1.7
123.04517	6.1
128.60332	0.5
135.04532	6.6
157.08469	0.6
179.01924	1.2
179.03500	33.2
197.04570	100.0
215.05669	1.1
233.27951	0.6
284.12848	2.8
359.09897	86.8
462.14444	0.7
659.32263	0.6
839.72925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
66.52251	0.4
71.01378	1.5
73.02934	4.0
76.58298	0.4
85.02904	0.4
89.02437	0.8
92.23125	0.4
93.04117	0.4
96.95957	0.6
99.00857	0.6
99.92580	3.5
100.70509	0.4
113.02425	0.6
115.04002	1.9
116.92850	100.0
117.01928	9.4
159.24274	0.4
168.71210	0.5
179.03618	0.4
233.94955	0.4
243.96024	0.5
274.78207	0.4
419.61047	0.5
531.19604	0.5
575.28809	0.5
603.91486	0.4
807.34717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.92634	0.2
85.02932	0.4
91.51561	0.3
93.03464	0.6
99.12834	0.3
99.93546	0.2
111.04503	1.4
117.02583	0.3
117.03447	3.2
117.23359	0.3
119.05016	1.2
122.10149	0.3
127.04063	0.4
129.01924	0.2
134.03735	44.4
135.04514	2.6
145.02943	0.3
149.06082	9.4
149.47258	0.3
155.03526	3.0
163.04068	2.2
167.52081	0.3
173.04544	4.3
175.04044	0.3
177.05446	0.2
178.02715	0.4
179.03494	1.6
191.05614	12.2
193.05067	100.0
195.06519	0.3
221.04453	0.3
227.02966	0.3
233.08209	0.5
247.09776	1.7
281.06708	0.4
283.08185	0.5
288.54105	0.3
291.08810	0.4
353.08548	0.3
367.10361	61.2
379.10287	0.3
381.52545	0.3
427.83881	0.3
439.12427	1.1
453.13980	1.3
652.47803	0.3
786.24237	0.3
807.23798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92368	1.5
59.01387	2.8
65.30776	1.6
71.01355	1.5
73.02937	16.4
83.05010	3.0
85.02981	1.6
93.03457	39.8
99.00871	8.1
99.04527	3.6
111.04502	24.5
127.11257	3.1
128.98746	1.6
129.05653	1.6
137.02473	18.1
143.03510	1.6
155.03497	17.4
164.04822	2.0
171.10237	11.1
172.10602	2.6
173.04552	95.7
173.11861	2.9
244.33351	2.1
246.29344	1.6
263.47556	1.4
268.03857	17.7
269.04059	1.7
283.06128	100.0
284.06564	16.2
284.09216	2.5
285.06708	11.9
399.68210	1.8
664.07080	1.8
807.25421	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94680	0.3
59.01376	2.0
71.01392	0.6
72.99339	0.5
78.95901	2.4
79.95737	1.9
81.48184	0.3
85.02953	0.6
89.02438	1.6
94.98094	0.8
96.96008	100.0
96.96900	4.7
100.90730	0.3
101.02421	0.4
113.02480	0.4
156.84445	0.3
161.04565	0.4
164.04785	0.5
179.07138	0.6
182.42169	0.4
190.02759	0.5
197.04588	0.6
205.05119	5.1
208.03888	0.5
223.06149	1.6
234.05373	2.0
249.07716	2.0
276.09854	0.3
469.17389	3.7
561.19983	3.9
567.20935	1.7
807.41467	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.05590	0.1
78.95892	1.4
79.95743	1.7
84.01347	0.2
84.77079	0.2
87.22605	0.2
94.98067	0.3
96.96004	100.0
96.96993	3.3
129.94797	0.1
307.47614	0.2
524.07831	0.2
550.34906	0.2
749.16150	0.2
807.29999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68689	0.9
67.01878	1.2
73.86205	0.9
74.03666	1.0
75.61158	1.0
84.22075	0.9
87.00875	4.3
88.44069	0.9
90.92421	0.9
93.03445	22.1
96.95989	1.4
100.93186	0.9
111.04499	4.1
126.36343	1.1
134.03746	2.1
155.03485	1.1
173.04527	12.9
191.05623	100.0
193.05037	10.3
205.04898	1.2
221.20314	1.0
284.05972	1.1
320.21115	1.1
367.10376	55.5
757.94739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57555	13.7
66.99197	21.6
91.12983	18.6
95.77234	18.2
133.01450	100.0
190.56900	20.5
212.81169	19.4
239.62817	22.2
424.31567	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03678	0.9
57.87091	0.9
71.01383	7.3
72.99277	1.5
75.33090	1.0
77.16595	1.0
92.22491	1.3
92.22975	3.3
115.00361	34.5
133.01424	100.0
144.00638	1.2
212.79883	1.2
316.01062	1.2
479.25308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	6.2
84.67340	1.3
108.02170	11.4
123.00881	5.9
123.04530	19.0
146.03659	1.7
146.13538	1.6
149.02364	2.6
150.03224	47.4
151.03975	1.8
161.02454	10.4
162.03178	9.7
163.04008	10.0
164.04784	3.5
165.04222	2.9
165.05563	59.5
177.05577	47.0
178.02739	29.8
179.03406	1.7
179.07115	7.4
180.04280	6.2
181.05066	3.5
193.03366	2.2
193.05070	51.1
194.05846	2.3
195.06648	6.2
247.44121	1.5
296.97650	1.5
384.24506	1.8
429.67010	1.7
610.20685	6.8
611.21344	7.0
725.06604	2.0
789.27881	2.0
807.28754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38264	0.5
59.01370	1.1
60.00027	0.4
62.56338	0.4
68.99807	6.6
71.01379	0.5
108.02175	7.2
109.02928	2.7
117.03490	0.6
122.03728	1.1
123.00882	6.6
123.04514	13.0
131.90958	0.6
132.00317	0.5
133.02986	0.5
134.03793	0.8
137.02481	0.4
138.03239	3.0
146.03735	1.0
147.04483	1.1
149.02426	2.4
150.03224	17.4
151.03978	1.0
153.05644	0.4
161.02457	8.2
162.03226	6.5
163.04021	8.7
164.04796	4.8
165.05562	17.7
166.02679	0.9
177.05579	33.4
178.02722	18.6
178.04276	0.5
179.03496	2.8
179.07086	3.2
180.04283	1.8
181.05074	2.9
191.03464	0.7
191.05627	2.2
192.04041	0.6
193.05070	34.2
194.05893	0.6
195.06618	2.7
268.03781	24.8
283.06146	100.0
387.10837	0.9
610.20660	8.5
611.21375	2.7
665.22180	0.7
683.22693	0.6
705.20569	7.6
723.21869	5.7
745.25800	0.5
747.21387	2.3
765.22717	8.1
789.27625	3.0
807.28833	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.288
Annotation	Unknow
Peak:m/z	Relative Intensity
90.43459	2.8
98.67650	2.6
106.02536	2.6
116.61875	2.8
150.03218	14.5
152.99522	2.6
153.12904	3.7
164.04767	3.5
165.01933	2.7
165.05525	18.4
175.04025	11.5
177.05515	4.3
180.04282	9.5
190.06372	5.5
195.06616	20.9
197.11786	5.4
206.39188	2.7
210.05336	3.0
215.12894	37.4
222.05365	10.6
254.21898	2.9
283.06271	4.5
307.06161	5.1
320.06943	11.3
321.07681	72.7
322.05093	3.3
322.08557	18.1
324.06332	3.8
325.07166	37.2
336.10229	21.5
337.07248	75.3
337.10910	4.0
339.08759	25.1
340.09531	51.1
352.09683	20.4
354.11282	3.6
355.11865	58.4
367.11908	100.0
385.12943	3.8
419.86404	2.7
469.17310	19.4
563.19562	4.9
611.21344	36.3
611.30975	3.3
729.24902	11.1
759.26733	17.7
777.27362	5.7
807.28333	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94691	2.5
68.99809	4.3
95.27386	2.8
96.05927	3.3
97.67826	2.9
102.69637	3.1
108.02157	3.3
123.04533	7.2
134.03685	4.0
138.02316	3.3
138.03268	3.9
150.03220	15.6
161.02446	4.9
162.03198	4.0
163.04030	6.5
165.01978	3.5
165.05554	15.4
177.05569	30.3
178.02731	12.5
179.03482	4.3
180.04265	14.4
191.03456	3.8
193.05060	43.2
195.06641	16.8
208.03922	3.8
223.06195	7.1
314.08017	3.4
323.09073	4.1
324.10031	4.5
327.08789	11.3
329.10434	6.8
339.08743	19.6
342.11044	16.4
354.10992	3.2
355.08209	14.6
357.13461	14.2
370.10565	6.4
385.13104	12.0
419.13669	16.6
459.96564	3.5
611.21637	11.6
777.28217	4.5
796.34900	3.7
807.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	74.3
62.21701	1.4
67.14323	1.6
71.01376	37.0
72.58888	1.4
85.02940	2.8
89.02435	76.6
89.70289	1.8
92.22525	2.0
97.02956	3.0
101.02439	39.4
113.02464	22.4
113.03204	2.4
115.03985	36.5
119.03478	30.7
144.69473	1.8
172.31720	1.7
179.05602	3.4
270.02707	1.6
279.10867	77.6
309.68924	1.9
377.14532	100.0
481.65482	1.9
541.69312	1.9
576.88300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.1
59.09480	2.6
71.01373	15.4
73.02982	3.1
75.00851	4.6
79.91383	2.4
81.97346	2.4
85.02977	3.2
89.02439	11.8
99.00875	2.6
101.02441	19.7
101.02996	2.6
103.00361	31.2
103.04023	9.6
109.92456	3.0
110.54898	2.5
113.02411	4.9
116.92816	2.6
119.03460	3.7
149.02438	24.2
161.04556	12.3
164.04794	100.0
179.07150	24.7
190.02641	4.2
205.05038	12.7
208.03792	32.3
223.06131	95.7
263.11392	45.9
283.35950	3.2
463.16095	30.2
506.98318	2.9
567.20947	88.6
641.23492	3.3
671.49249	3.1
693.70447	3.1
807.35315	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	0.4
59.01380	6.8
68.28423	0.3
71.67216	0.3
84.36823	0.3
120.73488	0.5
122.03701	0.6
124.82348	0.4
128.91942	0.4
142.20493	0.4
149.02432	6.9
150.03221	21.6
164.04811	8.2
165.05559	70.9
173.41975	0.4
179.07162	0.5
180.04308	5.0
190.06345	0.5
191.05753	0.4
195.06631	17.3
225.27063	0.4
299.12708	0.5
322.27145	0.4
324.09894	0.4
326.11606	0.4
327.12396	2.5
328.13144	6.6
329.10498	1.7
341.10220	4.4
341.13861	0.6
341.84949	0.4
343.11981	0.6
343.15616	4.6
344.12680	9.1
355.12357	0.5
356.12680	6.0
359.14957	11.6
371.15073	6.1
389.16003	0.5
400.39417	0.4
461.15619	1.4
463.17654	0.7
492.18320	3.8
507.20331	8.9
522.18579	0.8
533.67749	0.4
537.21234	9.2
585.23474	100.0
597.23700	0.5
645.25531	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
59.04497	0.4
69.08082	0.5
71.01377	0.9
85.02969	1.1
89.02437	0.9
92.22514	1.0
97.08938	0.5
101.02438	0.7
103.49706	0.6
106.98016	0.6
113.02441	0.7
121.02923	1.0
147.04552	4.5
149.02437	26.7
149.06059	1.0
150.03265	0.9
152.01144	0.7
162.26465	0.5
163.03987	1.2
164.04799	100.0
165.05591	0.6
166.02780	1.0
174.71832	0.5
177.05574	1.0
178.06339	2.1
179.07144	24.0
183.06636	1.2
185.85229	0.6
190.02798	5.5
190.04314	0.8
191.03499	2.3
205.05078	13.2
208.03754	4.8
209.04521	2.4
222.05367	2.4
223.06139	68.7
237.07669	0.9
238.84917	0.6
262.65839	0.5
281.08286	1.1
296.10391	4.0
311.13058	0.8
329.10443	2.1
361.15182	0.9
385.13040	3.4
419.17316	0.9
425.71906	0.6
463.16138	22.5
470.21426	0.6
561.19836	1.1
567.20929	97.5
807.29742	0.9
826.70935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68438	0.8
59.01380	13.8
68.24391	0.7
71.01368	10.4
72.79405	0.9
72.99304	1.3
73.02954	1.8
75.00844	1.1
78.37124	0.9
79.95731	1.0
83.46158	0.9
84.86641	0.8
85.02948	12.8
85.64656	0.8
89.02440	12.0
94.98058	0.9
96.96001	35.5
101.02431	8.4
102.76744	0.9
113.02429	4.4
119.03478	2.1
149.02449	3.5
149.04611	1.0
152.01169	1.5
154.72154	1.0
163.04031	1.7
164.04774	22.5
165.01912	1.6
166.02682	2.1
177.05528	4.5
178.06381	0.8
179.05640	1.9
179.07106	24.0
180.04274	4.5
181.05092	1.8
183.06589	2.1
190.02722	16.9
190.06358	4.3
192.07912	1.3
195.06584	4.4
203.07118	1.6
205.05067	78.6
205.08707	5.6
207.02878	1.6
208.03804	6.6
218.09523	4.2
219.03020	1.5
222.05284	6.7
223.06107	32.6
234.05345	20.3
237.07748	3.7
247.06110	6.1
249.07689	24.4
261.07642	11.2
262.08453	22.6
275.09357	1.4
276.10071	4.4
277.10809	24.4
469.17175	73.8
539.69763	1.0
561.19806	100.0
567.20959	13.8
763.36053	1.2
807.38855	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.0
71.01377	9.1
72.99302	4.6
73.02935	0.9
78.95903	0.7
79.95756	0.7
85.02951	15.0
89.02430	13.4
94.98076	0.8
96.96008	58.5
98.14296	0.6
101.02441	9.7
109.56696	0.8
113.02435	5.2
118.22932	0.7
119.03484	3.5
123.04545	1.2
134.03676	0.7
146.65291	0.7
149.02431	3.2
151.04007	1.0
152.01175	1.1
153.01819	0.9
161.04579	1.6
163.03955	2.4
164.04791	23.6
165.01863	1.1
166.02718	4.3
166.06427	1.0
175.04025	1.2
177.05562	4.8
178.06345	1.0
179.03510	4.0
179.07155	23.5
180.04314	4.0
181.05092	1.6
183.06682	3.1
190.02756	21.4
190.06316	5.8
192.07892	1.1
195.06630	4.4
197.04610	5.4
203.07094	2.9
205.05069	95.6
205.08478	8.6
207.03001	3.7
208.03784	11.9
209.04565	0.9
218.06027	0.8
218.09462	3.8
219.02971	5.1
222.05333	6.7
223.06139	34.9
225.07744	0.8
230.09207	0.8
233.11978	1.4
234.05347	33.5
237.07736	5.7
247.06131	5.9
249.07689	48.7
261.07678	9.9
262.08490	23.5
263.11359	1.6
275.09229	1.1
276.10025	3.9
277.10837	23.9
281.08566	0.7
307.11884	0.9
321.09909	1.4
325.83389	0.7
353.59543	0.8
374.01266	0.7
454.14685	1.2
469.17178	91.0
561.19836	100.0
567.20911	30.3
807.34210	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.4
64.39109	1.3
71.01382	8.1
73.02928	1.6
78.75131	0.9
78.95873	1.1
85.02934	12.0
85.94891	1.0
89.02447	14.7
92.22462	1.0
96.96011	2.3
97.02935	1.3
101.02431	9.5
113.02443	5.7
119.03513	5.9
123.04518	1.2
149.02411	2.6
152.01112	1.1
161.04585	1.5
163.03915	1.9
164.04793	21.2
165.20905	1.2
166.02701	4.9
177.05574	5.5
179.03468	1.5
179.07137	17.7
180.04251	4.4
183.06575	1.4
190.02716	22.2
190.06293	2.7
195.06628	2.1
198.95908	1.1
205.05067	90.0
205.08682	6.4
207.03009	2.4
208.03763	8.7
219.02985	4.5
222.05339	7.3
223.06122	31.8
233.11832	1.3
234.05350	27.8
237.07677	2.0
247.06163	2.1
249.07684	40.9
261.07712	9.6
262.08453	22.1
275.09357	1.5
276.10034	2.3
277.10791	18.8
289.10529	1.1
293.65073	1.1
321.10339	1.4
344.16776	1.3
369.06009	1.4
373.13165	1.3
441.36978	1.2
469.17166	82.1
487.24408	1.3
513.17499	1.4
561.19824	100.0
567.20856	34.2
807.32422	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01374	0.4
71.01370	0.6
72.99294	0.4
78.21064	0.3
89.02435	0.5
92.22548	0.4
96.96015	0.6
97.06561	1.6
101.02438	0.4
116.73531	0.3
125.09716	48.3
134.28865	0.3
137.23169	0.3
143.10786	0.7
144.46327	0.3
152.99562	0.4
169.08694	2.8
175.07736	0.6
187.09766	100.0
188.10120	0.5
197.04623	0.6
205.05254	0.4
302.60684	0.3
308.90903	0.3
329.13983	7.1
359.14932	1.9
421.32794	0.4
486.28296	0.4
521.20569	2.7
807.39032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50272	0.8
59.01384	11.0
60.00689	0.9
60.35983	1.0
60.90454	0.9
70.73400	1.0
71.01385	5.9
79.99217	1.1
85.02962	1.6
88.98837	1.0
89.02433	10.1
92.23042	1.1
101.02452	10.2
112.40339	1.1
113.02431	7.7
119.03477	4.1
122.11030	1.2
206.09953	1.2
420.65826	1.1
432.00177	1.0
472.22458	1.0
519.80939	1.1
674.69348	1.2
771.45477	15.5
807.43274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.73196	0.7
61.98823	1.5
67.48221	0.7
72.84820	0.7
74.02187	0.7
75.03795	0.7
81.74314	0.7
82.59066	0.7
116.86550	0.9
126.34376	1.0
277.21729	51.6
289.21686	0.9
289.99326	0.8
293.21332	1.1
294.21536	1.8
316.07626	1.2
375.25208	1.1
489.54962	0.9
807.48962	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.1
59.01376	1.9
59.49953	0.9
113.09721	31.1
137.07664	0.9
139.11290	1.8
141.67107	0.9
141.69296	1.0
153.27957	1.0
154.50496	1.0
158.93446	1.1
167.10800	1.0
174.80647	1.2
177.12846	1.1
179.10754	4.2
195.13962	6.5
216.60675	1.2
223.13387	2.0
225.01001	1.3
231.24054	1.2
293.21259	100.0
297.24524	1.2
311.22354	6.9
490.14621	1.1
643.63721	1.2
782.63843	1.2
807.42908	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
95.15392	0.6
95.33121	0.7
96.95992	11.6
101.02438	0.7
101.25373	0.7
104.43100	0.6
121.10212	1.3
158.34662	0.7
171.10265	4.7
177.90855	0.6
183.13939	6.8
195.13947	5.4
211.13412	2.5
221.15308	0.7
223.13358	2.9
231.21179	3.0
235.17113	5.3
275.20224	19.8
277.21698	4.2
291.19608	5.9
292.20035	6.1
293.17926	55.5
293.21240	100.0
323.95096	0.7
428.49655	0.7
592.17078	0.8
779.66077	0.9
807.46539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.6005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
67.91266	0.4
90.56220	0.5
102.95786	0.5
103.41162	0.5
110.32311	0.4
111.16089	0.5
121.84396	0.4
128.94530	0.4
151.27612	0.5
176.68399	0.6
279.23328	100.0
281.24930	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21739	0.9
58.00585	1.1
59.01384	100.0
67.24886	0.9
70.46986	1.0
71.01374	22.9
71.17669	0.9
73.03897	0.9
78.91626	1.1
83.01378	1.1
85.02957	4.7
88.22799	1.1
89.02441	39.7
95.61671	1.0
96.96001	1.6
101.02438	11.7
113.02454	13.4
119.03506	15.4
131.03549	1.3
143.03508	1.7
161.04558	9.0
179.05626	55.6
219.82175	1.0
223.27989	1.0
239.07753	1.2
360.25180	1.2
375.17056	1.3
394.13062	2.3
473.20386	16.1
646.10400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49297	0.5
71.61893	0.6
76.13395	0.7
79.28828	0.6
83.70657	0.6
89.36739	0.5
111.64457	0.5
112.07639	2.4
129.10362	4.7
130.08731	43.1
131.42004	0.6
150.20006	0.6
158.36322	0.7
199.18254	4.7
207.14949	1.0
224.17656	1.2
225.16147	7.3
241.59642	0.6
243.14633	1.1
243.17140	32.4
312.26700	1.2
338.24768	1.2
356.25607	26.0
450.35141	0.7
469.34030	17.2
562.91705	0.7
582.42157	6.5
695.50793	1.3
808.59283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65358	0.4
71.01384	0.7
87.00864	1.0
93.03460	3.7
101.02429	0.9
111.04539	1.0
111.20299	0.5
117.03427	2.5
133.03026	0.5
134.03738	36.6
135.04530	22.3
135.05324	0.4
139.19365	0.4
149.06100	8.0
155.03528	4.0
161.02444	23.9
173.04533	6.8
178.02831	0.5
179.03506	23.7
191.05635	19.5
193.05074	100.0
208.76024	0.5
263.09293	0.8
296.78662	0.4
341.03403	0.5
367.10379	56.1
423.16461	0.7
441.14084	46.5
522.73340	0.4
697.33118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
72.99303	3.0
75.00859	3.7
87.00873	5.8
103.00370	0.6
103.04004	0.8
105.01931	100.0
139.44093	0.5
220.60939	0.6
264.57504	0.5
294.02271	0.6
365.21051	0.7
385.62122	0.5
412.00549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00597	0.8
69.41882	0.9
75.20780	0.9
81.10151	0.8
85.76084	1.0
96.70986	1.0
122.03709	2.3
131.22020	0.9
149.02452	8.4
150.03215	58.3
151.03961	1.5
164.04788	4.8
165.05562	100.0
180.04330	6.9
181.05032	5.1
195.06642	35.2
220.81738	1.0
256.30670	1.2
317.77997	1.0
417.15491	2.2
549.38422	1.1
613.22681	6.6
687.25897	1.0
761.28540	1.7
809.30243	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3036
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
59.01376	1.7
65.23047	0.6
85.02928	0.8
89.02443	1.1
89.59383	0.7
101.02441	1.3
108.02203	0.8
110.55405	0.7
113.02477	0.9
118.23881	0.7
121.02915	1.0
122.03727	3.7
123.04501	1.0
127.09430	0.7
133.02975	1.0
135.04468	1.0
136.01646	1.3
137.02446	1.7
146.03699	0.7
149.02440	7.4
150.03218	63.4
151.04030	3.9
152.04848	0.7
164.04782	6.7
165.05566	100.0
166.02708	3.0
179.07086	3.2
180.04280	8.6
181.05074	7.4
190.10097	0.8
195.06633	28.0
219.06621	1.2
220.07509	1.1
343.22757	1.2
387.10559	1.1
387.14819	1.1
417.15585	3.3
505.28278	1.5
535.16010	1.0
565.21228	8.0
613.22931	9.1
743.27948	0.9
761.28613	6.0
791.29376	2.9
809.30133	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3042
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
56.47570	1.2
59.01389	12.5
64.21558	1.6
66.53004	1.4
71.01376	3.2
85.02956	1.8
89.02460	6.7
101.02431	5.5
119.03550	1.5
122.03748	2.7
134.03714	2.2
149.02425	17.8
149.06007	2.2
150.03226	71.3
151.04021	11.3
162.94745	1.5
164.04834	8.6
165.05566	100.0
166.02745	3.1
179.07132	2.6
180.04288	8.1
181.05113	10.5
184.76807	1.5
195.06645	24.7
205.04892	3.0
235.31532	1.6
238.33572	1.6
256.40515	1.9
283.11206	1.5
290.93616	1.9
417.15439	2.9
449.14978	1.6
563.20929	2.7
565.21173	7.9
613.22736	11.0
651.35614	2.9
713.26318	3.1
743.26837	3.0
747.29468	1.7
761.28021	12.4
791.28796	7.4
809.29901	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
74.35714	1.2
85.40076	1.1
89.46395	1.1
112.18584	1.2
149.02440	5.1
150.03223	21.4
160.01698	2.1
164.04802	5.7
165.01906	7.8
165.05560	49.4
175.70569	1.1
179.03496	2.4
179.07085	1.3
180.04311	20.6
190.06403	8.2
195.06639	40.4
210.05400	1.4
222.05286	1.9
225.07761	5.7
265.62460	1.3
283.09753	6.2
296.06848	2.6
297.07556	2.8
299.09271	2.2
305.59531	1.3
308.06500	1.2
309.07797	7.7
311.09268	5.3
312.06552	2.9
312.10101	2.2
321.07443	1.9
322.08478	9.6
323.09277	28.5
324.06351	5.0
324.10071	17.2
325.10907	1.2
326.08102	4.9
326.11707	2.5
326.36887	1.1
327.08817	48.9
327.12198	1.8
337.10812	2.8
338.11731	8.7
339.08783	100.0
339.12405	8.4
341.10358	9.0
342.11130	73.2
342.15323	2.1
343.11978	2.4
354.11099	21.3
356.12598	2.7
357.13501	86.1
369.13449	80.3
373.12878	17.8
387.14645	2.8
421.15176	44.6
565.20880	7.5
613.22961	28.6
731.27905	1.6
760.52765	1.5
761.28369	24.2
809.30127	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76150	2.1
61.98826	3.7
66.85582	1.9
98.87188	1.8
149.02443	2.6
150.03227	55.4
164.04803	7.6
165.01884	19.9
165.05557	92.2
175.03976	2.7
177.05386	2.0
179.03488	9.1
180.04257	31.2
190.06389	2.6
194.05814	4.1
195.04839	3.0
195.06639	76.8
207.06607	2.8
209.08185	2.3
210.05339	9.3
222.05309	3.5
225.07715	16.3
266.59348	2.1
298.08252	3.3
299.09360	3.1
303.49503	2.2
309.07803	11.9
311.09409	3.2
312.06415	2.2
313.10892	3.3
314.07993	2.6
322.08453	12.5
323.09302	32.6
323.12842	3.0
324.06534	3.9
324.10037	22.4
325.10828	2.3
326.07880	2.4
326.11578	3.2
327.08768	54.0
329.09940	2.4
332.57700	2.1
337.11136	3.2
338.11545	11.7
339.08765	100.0
339.12415	12.8
340.09235	2.3
341.10303	10.5
342.11108	94.3
343.12021	3.9
354.11069	26.3
355.11932	2.5
357.13467	92.9
369.13455	98.0
369.18198	4.1
373.13040	3.5
380.41235	2.2
387.14267	3.2
421.15033	35.0
545.14197	2.4
565.20880	11.3
613.22974	72.7
761.27948	25.2
788.33539	2.6
809.30396	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50687	0.4
59.01099	0.9
59.01381	19.0
112.98097	0.4
114.42952	0.4
130.72231	0.5
161.01907	0.5
227.10786	100.0
232.93738	0.5
285.27328	0.5
301.14459	26.0
306.09763	0.4
392.45789	0.6
436.18533	0.5
477.03601	0.5
479.68167	0.6
675.30066	16.6
749.33606	11.8
749.45056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.3
69.20905	2.2
71.01372	18.9
73.02911	1.8
85.02940	4.8
87.00864	2.9
89.02440	25.0
89.05889	2.5
101.02431	25.3
104.67905	2.2
113.02406	8.9
119.03482	10.5
122.03702	2.5
135.04558	3.7
149.02480	3.4
150.03197	52.2
150.04340	3.2
151.04004	3.0
164.04831	2.9
165.05553	83.9
179.06975	2.9
180.04268	4.1
181.05054	7.7
185.11845	15.8
189.09268	3.8
190.02728	2.4
190.10014	36.3
191.05554	2.4
195.06665	25.6
203.10802	12.2
203.12733	2.3
205.05022	3.6
216.11560	3.0
220.21669	2.3
256.14767	2.5
257.15601	4.2
258.16245	2.9
273.18399	3.0
325.21640	2.7
328.20526	2.6
343.22961	24.9
436.20978	19.8
504.27356	3.5
505.28186	26.9
539.50232	2.9
565.21338	3.0
613.23303	4.8
615.31696	2.6
630.44025	2.7
647.30505	2.8
667.33734	3.4
676.92542	2.5
711.32416	19.2
761.27826	2.8
791.29358	3.3
809.36566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01383	52.6
69.03445	1.2
71.01378	37.0
73.02939	9.7
78.83225	1.1
83.00933	1.1
83.01386	3.8
85.02949	9.9
87.00870	11.6
88.05228	1.0
89.02440	57.2
95.01359	1.8
97.02930	6.9
99.00864	1.3
101.02441	51.6
104.08662	1.1
111.00884	1.2
113.02447	26.3
114.93482	3.3
115.04005	10.1
116.92860	15.4
119.03482	14.0
125.02435	16.1
126.10370	0.9
131.03522	7.3
133.04964	1.2
143.03510	5.4
145.05055	1.5
149.04620	1.0
161.04558	17.8
162.13417	1.0
171.08914	1.1
179.05566	6.8
203.05615	1.3
221.06613	6.2
235.08241	7.5
249.18613	30.5
253.09268	5.7
263.07831	1.5
269.05743	1.1
397.13617	15.8
407.99908	1.1
415.14618	6.6
491.18768	1.1
559.18860	100.0
577.19873	27.2
647.32806	4.1
693.36432	1.3
785.48926	1.2
809.38177	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.5
64.11105	2.2
71.01376	35.5
73.02935	4.4
79.84193	2.8
83.01377	4.1
85.02941	4.7
87.00860	6.3
89.02433	48.7
94.06042	2.7
101.02441	40.6
113.02470	23.0
116.92838	13.9
119.03491	11.6
125.02419	4.3
131.03542	5.2
143.03459	3.3
161.04565	15.9
179.05614	3.5
212.44402	2.6
221.06674	3.3
235.08345	3.1
249.18643	27.0
253.09209	4.8
253.42302	2.6
271.08264	2.6
288.19916	2.6
302.12930	3.0
397.13541	14.9
559.18866	100.0
577.20026	31.3
647.32269	3.4
809.37927	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4339
Annotation	Rivaloside B
Peak:m/z	Relative Intensity
57.03479	1.0
59.01124	1.2
59.01385	15.7
62.43174	0.9
62.90392	0.8
71.01382	16.4
73.02939	5.0
75.00853	2.1
82.12444	1.1
83.01388	1.8
85.02945	4.1
87.28400	1.0
89.02438	13.7
101.02446	17.1
106.18221	1.1
113.02418	9.6
116.92849	1.1
119.03462	2.0
131.03513	2.0
143.03537	1.5
161.04524	4.9
191.37077	1.0
221.06648	1.8
282.42563	1.0
423.32596	1.8
441.33643	10.0
458.26596	1.1
569.42603	1.2
665.75452	1.3
809.43408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
58.51921	0.6
59.01380	8.5
71.01381	6.5
73.02938	0.9
79.96671	0.7
83.05024	5.2
87.00907	1.1
87.45451	0.6
89.02446	14.2
95.01340	0.6
99.00859	0.7
101.02448	9.9
107.97675	0.7
109.06576	1.4
111.08153	53.3
112.86048	0.6
113.02412	1.4
118.87542	0.6
119.03469	4.0
121.20230	0.6
125.02443	1.5
145.05098	0.7
147.93987	0.6
173.08199	39.1
174.86494	0.7
179.05609	0.8
197.08040	0.6
221.06770	1.3
235.08224	3.2
255.23325	39.1
295.22824	1.3
471.44800	0.7
649.27722	0.8
809.45502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01386	1.1
67.76326	0.4
70.53413	0.4
71.24625	0.4
84.02174	0.4
85.02948	15.9
85.06560	0.5
86.15881	0.4
87.04508	0.6
97.06585	1.6
98.72826	0.4
99.72060	0.4
120.99663	0.4
150.03210	2.4
165.05600	3.7
182.09322	0.5
183.13911	24.5
195.06612	0.6
195.13853	1.0
211.13470	4.0
223.17038	2.5
233.15526	0.9
234.80348	0.6
239.16422	1.0
251.16513	9.9
269.17599	3.3
283.06772	0.5
291.19629	2.5
309.20828	0.8
327.21805	100.0
370.84576	0.5
514.51221	0.5
578.75543	0.5
647.93915	0.6
809.30084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19501	0.3
78.95899	28.7
79.25854	0.3
80.35252	0.2
86.02806	0.3
96.96968	2.7
104.85089	0.3
109.29536	0.3
125.79487	0.3
150.98000	1.2
152.99579	100.0
163.97707	0.3
168.22589	0.3
171.00658	3.2
195.13950	0.4
255.23260	3.2
277.21765	0.6
287.79279	0.4
295.22870	3.0
349.99039	0.4
397.11679	0.3
409.23648	57.7
463.92679	0.3
482.79196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
89.02427	0.2
93.14771	0.1
93.15515	0.2
96.37864	0.2
97.06571	0.2
117.60022	0.2
125.09710	2.7
139.94055	0.2
141.12825	1.1
143.81679	0.2
149.09709	1.1
152.71571	0.2
185.10249	0.3
185.11830	8.1
197.11850	1.9
249.22296	0.9
255.23299	0.2
275.20215	0.7
279.23312	5.4
293.21246	100.0
313.24136	0.2
358.18353	0.2
515.32562	0.3
580.52979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.543
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07903	0.3
83.49191	0.3
104.59493	0.3
111.08160	0.7
171.10265	8.8
183.13907	48.7
210.34636	0.4
230.06494	0.3
234.49001	0.4
253.09409	0.5
277.21744	27.7
277.80209	0.4
295.22806	100.0
761.80078	0.4
811.30652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26296	0.2
59.01373	1.0
59.55637	0.2
61.29551	0.2
65.94717	0.2
69.43483	0.2
70.74763	0.2
75.94623	0.2
102.18212	0.2
113.09733	1.2
115.14320	0.2
140.27603	0.2
161.83240	0.2
171.10243	1.1
179.14398	0.9
180.38484	0.2
183.13962	0.3
195.13910	19.6
245.12465	0.3
245.46739	0.3
251.23822	0.3
253.09355	0.3
277.18597	0.3
277.21741	24.9
295.22803	100.0
341.92041	0.3
461.45490	0.3
471.87238	0.3
617.29333	0.3
830.08563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92106	0.5
62.70677	0.4
65.79557	0.4
72.43195	0.5
125.09709	2.9
141.12904	0.6
149.09689	0.9
185.11818	7.1
197.11844	1.8
249.22220	0.7
262.15762	0.5
275.20270	0.7
279.23300	9.7
293.21252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94694	1.2
65.16153	1.1
71.05014	17.5
75.97591	1.2
78.95941	2.0
95.52924	1.2
97.06580	6.1
159.38705	1.2
204.35162	1.3
207.13864	2.5
219.13818	2.7
235.17062	7.2
242.08043	1.6
254.46297	1.4
279.23300	69.4
291.19690	100.0
504.31030	49.0
530.27924	1.7
810.53607	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83580	0.7
59.01392	0.7
60.14278	0.7
69.29478	0.7
71.01385	0.8
72.99307	3.2
75.28619	0.8
86.77523	0.7
93.03461	8.1
111.04487	3.7
123.04575	1.0
135.04524	31.2
137.02449	4.5
141.21489	0.8
155.03516	5.1
161.02449	2.1
173.04558	89.1
179.03508	73.4
180.29227	0.8
181.04977	1.2
191.05627	41.1
191.67497	0.8
197.04529	9.7
236.19208	1.0
337.09442	1.5
353.08841	100.0
359.09912	1.4
457.13596	11.7
811.23444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
67.89346	0.2
72.99297	4.0
80.48025	0.2
85.02926	0.8
93.03422	0.3
94.80919	0.3
116.93428	0.2
123.04509	0.5
127.04026	0.3
135.04477	2.1
161.02490	1.8
173.04608	0.3
179.03510	5.5
191.05630	100.0
197.04559	10.5
310.27744	0.2
353.08817	28.0
359.09778	1.7
457.13586	12.5
818.93250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
67.01880	1.0
71.01048	0.9
71.01373	7.6
72.99284	1.7
74.52019	0.9
75.00877	6.0
79.97072	0.7
85.02933	9.5
85.43890	0.8
87.00881	1.6
89.02457	1.4
93.03461	4.4
95.01350	1.6
99.00863	4.8
103.00359	1.1
111.04530	1.3
113.02457	18.9
115.00354	1.4
117.03477	1.4
127.69647	0.9
134.03740	14.9
137.02426	1.4
149.06070	6.1
161.02473	1.1
173.04543	45.9
175.02600	1.3
175.04016	6.5
189.04192	0.9
191.05569	7.5
193.05054	39.5
207.05101	1.1
249.06172	15.5
253.22018	0.9
267.07181	34.7
367.10376	11.4
381.11670	1.0
414.74423	1.1
443.12000	100.0
488.13605	1.1
811.22015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
67.01880	1.0
71.01048	0.9
71.01373	7.6
72.99284	1.7
74.52019	0.9
75.00877	6.0
79.97072	0.7
85.02933	9.5
85.43890	0.8
87.00881	1.6
89.02457	1.4
93.03461	4.4
95.01350	1.6
99.00863	4.8
103.00359	1.1
111.04530	1.3
113.02457	18.9
115.00354	1.4
117.03477	1.4
127.69647	0.9
134.03740	14.9
137.02426	1.4
149.06070	6.1
161.02473	1.1
173.04543	45.9
175.02600	1.3
175.04016	6.5
189.04192	0.9
191.05569	7.5
193.05054	39.5
207.05101	1.1
249.06172	15.5
253.22018	0.9
267.07181	34.7
367.10376	11.4
381.11670	1.0
414.74423	1.1
443.12000	100.0
488.13605	1.1
811.22015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.9
57.03685	0.8
59.01381	5.5
69.07912	1.0
71.01386	1.9
72.99413	1.2
76.44788	0.9
78.45895	1.0
83.01382	1.2
85.02944	100.0
90.68479	1.0
93.03419	1.2
96.13597	1.0
101.02411	1.7
109.02943	1.4
111.00832	2.2
117.10578	1.0
119.05057	1.5
128.74002	1.2
129.01941	7.7
134.03743	2.1
145.02916	1.8
147.02966	9.0
152.01132	1.5
163.04007	5.3
173.00969	1.1
191.01996	27.6
191.05602	1.9
193.05115	7.2
194.03690	1.1
209.03017	5.1
213.95221	1.1
226.06535	1.2
267.07169	1.2
385.07809	50.5
413.10840	5.0
533.16718	1.2
811.24780	2.1
814.21887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73817	2.3
59.01386	3.7
71.01391	3.4
85.02932	4.6
92.75829	2.9
93.03463	3.6
98.95818	2.6
99.00866	6.0
109.34849	2.7
111.04508	3.5
113.02422	10.9
129.24582	2.6
134.03737	12.1
142.81937	2.8
149.06096	3.8
173.04555	53.1
191.05612	5.1
193.05057	32.3
201.64725	2.8
249.06174	13.3
267.07144	25.3
329.94781	3.3
367.10263	27.5
443.11978	100.0
713.40814	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06811	0.3
65.59090	0.4
72.99300	4.3
74.78889	0.3
85.02919	0.3
86.07518	0.3
114.09747	0.3
123.04523	1.2
133.02933	0.4
135.04504	1.5
161.02448	2.2
179.03453	4.4
182.29742	0.3
191.05629	100.0
197.04581	10.0
279.61243	0.3
344.81342	0.4
353.08844	30.6
359.09760	1.5
457.13577	12.9
684.32129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.6
71.01376	7.1
75.00852	7.6
85.02946	7.2
87.00879	3.9
92.23088	2.3
93.03458	2.6
95.01340	1.9
99.00882	2.5
111.04494	1.0
113.02442	18.1
117.01934	1.5
129.01961	1.6
134.03726	14.7
149.06075	4.0
173.04549	36.7
175.02391	1.3
175.03943	4.4
191.05574	8.6
193.05049	33.1
231.04996	1.3
249.06195	15.8
261.14291	1.2
267.07120	34.3
267.35190	1.1
367.10345	8.8
443.12018	100.0
567.18018	1.3
572.06189	1.3
672.78455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
64.31463	0.2
71.01350	0.2
72.99305	2.8
85.02937	0.5
85.12491	0.2
86.55580	0.2
87.00897	0.2
93.03468	0.4
107.39095	0.2
119.05045	0.4
123.04482	0.9
128.60837	0.2
133.02979	0.2
135.04535	1.3
161.02409	1.9
173.04468	0.5
179.03496	4.3
191.05630	100.0
193.04988	0.3
197.04575	7.3
261.07663	1.5
267.07370	0.3
294.66556	0.3
353.08826	30.7
359.09967	1.1
435.13123	1.0
457.13657	8.3
486.70953	0.3
699.41339	0.3
811.23016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.9
60.92668	1.7
67.35352	1.6
71.01382	9.5
71.11222	2.0
83.17432	2.1
85.02936	2.4
89.02442	10.5
94.86038	2.1
99.70938	2.0
101.02446	12.0
111.00900	4.9
113.02459	2.4
119.03489	4.1
123.96340	2.5
135.19815	2.2
149.02388	2.0
153.05614	3.4
161.04674	2.3
164.04836	20.3
179.05713	3.9
179.07133	42.4
188.04727	2.1
190.06367	3.6
205.05034	9.4
205.08682	9.0
206.05882	27.4
221.04680	2.3
221.08228	45.3
222.05334	8.0
223.06175	8.3
235.02530	2.9
236.06882	31.4
250.04828	27.8
254.13554	2.1
264.06372	2.5
265.07172	100.0
281.09985	2.4
297.09814	37.9
301.83356	2.2
323.11383	8.2
339.10855	42.5
399.12851	2.9
417.86316	2.3
475.22601	2.3
491.11874	2.4
605.32880	2.5
737.24670	3.2
751.25739	2.3
811.27911	28.8
811.41437	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.9
60.92668	1.7
67.35352	1.6
71.01382	9.5
71.11222	2.0
83.17432	2.1
85.02936	2.4
89.02442	10.5
94.86038	2.1
99.70938	2.0
101.02446	12.0
111.00900	4.9
113.02459	2.4
119.03489	4.1
123.96340	2.5
135.19815	2.2
149.02388	2.0
153.05614	3.4
161.04674	2.3
164.04836	20.3
179.05713	3.9
179.07133	42.4
188.04727	2.1
190.06367	3.6
205.05034	9.4
205.08682	9.0
206.05882	27.4
221.04680	2.3
221.08228	45.3
222.05334	8.0
223.06175	8.3
235.02530	2.9
236.06882	31.4
250.04828	27.8
254.13554	2.1
264.06372	2.5
265.07172	100.0
281.09985	2.4
297.09814	37.9
301.83356	2.2
323.11383	8.2
339.10855	42.5
399.12851	2.9
417.86316	2.3
475.22601	2.3
491.11874	2.4
605.32880	2.5
737.24670	3.2
751.25739	2.3
811.27911	28.8
811.41437	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.7
65.05030	0.6
70.42674	0.7
71.01391	1.5
85.02956	1.5
87.42899	0.5
89.02464	0.7
101.02402	0.8
107.06306	0.7
119.01333	1.0
121.02924	1.3
147.00937	1.5
147.04559	0.9
149.02458	8.0
150.03224	0.9
163.03937	3.7
164.04800	19.5
165.01941	1.0
175.00356	12.8
179.07170	1.4
190.02731	100.0
191.03484	2.6
205.05075	69.3
209.04578	4.5
223.06146	7.9
250.97388	0.7
251.05431	1.4
315.12213	0.7
331.51056	0.7
353.10129	0.8
369.12994	0.7
371.73795	0.7
751.26190	29.7
769.27838	1.0
811.28302	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01372	0.7
60.99307	1.4
63.36751	0.3
64.78539	0.3
67.01884	1.5
67.57589	0.2
71.01379	1.3
74.05270	0.3
81.61627	0.3
85.02917	0.4
87.00858	5.5
87.01345	0.5
93.03449	19.3
99.00841	0.4
99.04504	0.3
101.90696	0.3
111.04527	4.0
113.02441	0.6
129.01939	0.5
134.03717	2.2
146.82462	0.3
149.06091	0.7
155.03467	1.4
173.04546	11.0
175.04054	0.5
191.05629	100.0
193.05040	6.2
254.24200	0.3
367.10367	65.9
372.22818	0.3
411.97641	0.4
493.06235	0.3
545.97791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.3
59.92570	1.7
71.01360	3.8
72.26768	1.9
72.99286	3.8
89.02436	7.4
101.02431	9.0
115.90011	1.8
131.74086	1.9
132.12819	1.9
137.02438	2.3
149.02451	11.4
151.03998	1.8
152.01212	2.0
164.04793	42.0
165.01926	16.5
171.22112	1.8
174.13695	1.6
179.03511	7.3
179.07126	13.5
180.04305	42.6
181.82414	1.7
190.02744	10.5
191.05643	2.5
193.01558	2.2
193.04993	2.4
194.05928	2.1
195.06638	96.7
196.34918	2.0
205.04988	14.9
208.03804	48.5
210.05388	16.7
223.06128	100.0
225.07680	28.1
358.18005	2.0
361.04974	2.1
401.12415	6.8
449.14612	69.9
449.20840	3.3
479.24207	2.0
487.51263	1.9
585.22009	28.1
665.33569	2.0
811.29303	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40519	0.7
70.38092	0.7
70.91404	0.8
79.77707	0.7
79.79561	0.8
82.02964	0.8
82.77517	0.7
84.04083	0.7
84.45699	0.8
85.42750	0.6
96.00903	10.2
98.02470	3.6
99.02002	0.8
99.05633	4.0
108.91886	0.9
109.01674	9.3
110.02451	1.4
113.03559	18.8
115.00330	1.7
116.64813	0.7
118.06691	2.5
125.03508	0.8
127.05128	7.4
131.04626	1.0
133.01425	6.6
139.05151	1.4
153.03006	1.1
164.07190	11.5
166.06212	20.7
167.04623	1.5
168.27173	0.8
170.05722	1.0
178.06232	1.3
179.04568	1.7
181.06161	12.3
184.07275	100.0
194.05666	3.6
196.07324	9.9
200.07217	3.3
201.09932	3.2
202.08781	1.0
214.08324	10.8
217.09529	1.1
224.06821	1.4
237.09795	1.4
244.06177	4.9
281.08990	0.9
310.11420	1.1
328.12625	1.4
427.37256	0.9
474.02133	0.9
576.99609	1.0
628.22028	1.3
646.22839	3.1
792.96594	1.1
793.30133	16.8
811.31293	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74877	0.9
72.84760	0.8
77.64542	1.0
95.39455	1.0
102.78094	0.8
110.07580	0.9
114.71302	0.9
122.03722	4.7
127.11316	0.9
136.01616	1.4
149.02420	6.2
149.06082	2.2
150.03226	61.8
151.04015	5.3
164.04793	10.9
165.01923	1.7
165.05566	100.0
171.10226	1.1
177.05527	1.5
179.07076	1.9
180.04309	14.2
190.06285	6.2
193.05150	1.8
195.06656	31.5
205.08769	6.4
207.06650	1.7
208.07434	9.8
222.08975	2.0
291.38800	0.8
329.10324	1.3
339.08972	1.3
341.10327	1.7
343.11719	1.5
344.12668	4.0
348.61893	1.1
359.15009	11.7
371.15021	1.7
373.12872	1.9
389.16202	8.6
421.14957	4.4
518.17529	1.0
532.35101	1.0
537.21210	2.2
567.22467	5.1
585.23846	5.6
613.22607	1.1
614.23242	1.5
615.24615	11.3
763.29816	13.5
793.31171	4.9
811.31946	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
62.42391	0.7
73.08059	0.7
89.02457	1.0
89.99070	0.9
93.03467	0.9
101.02420	0.8
113.02467	3.3
121.02913	0.8
122.03724	4.7
127.67767	1.0
133.02943	1.5
134.03729	1.4
136.01628	6.2
147.04529	1.6
149.02443	14.5
149.06062	5.5
149.17439	0.9
150.03226	69.2
151.04002	18.9
164.04813	8.4
165.05571	100.0
172.04025	0.9
177.05627	1.7
179.07140	3.8
180.04303	9.1
189.05655	1.1
191.07205	1.5
193.05025	1.8
195.06645	19.5
205.08752	4.5
207.06636	1.8
208.07387	4.9
222.08929	1.7
235.06178	0.9
329.10260	4.5
329.49365	0.9
341.10223	3.8
343.11896	1.2
344.12579	5.9
356.12823	1.6
359.15109	5.2
371.15195	2.1
373.12872	1.9
374.14005	1.0
375.14343	1.2
389.16275	9.5
409.34482	0.9
421.15131	4.6
464.44595	1.0
492.17993	1.2
520.47443	0.9
537.20746	4.1
552.21039	0.9
567.22217	6.8
585.23175	1.9
613.23523	1.8
614.23755	10.5
615.24146	6.9
631.67944	0.9
669.25763	1.3
685.25531	1.2
687.27704	1.0
715.27740	3.8
745.28589	4.0
763.29907	15.7
775.29565	3.1
793.31036	12.5
811.31909	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54180	0.8
65.17617	0.9
68.99794	0.9
78.49420	0.9
98.34423	0.9
121.02946	1.2
122.03726	2.4
123.04549	1.0
149.02443	6.5
150.03221	59.7
151.04001	1.3
158.75525	0.9
161.06029	0.9
164.04782	3.9
165.05573	100.0
177.05496	1.6
178.06000	1.2
180.04300	10.5
190.06302	1.5
191.07173	1.3
192.77608	1.1
193.05035	4.7
195.06636	30.0
205.08807	1.3
207.06673	1.4
208.07417	4.1
222.08937	1.3
329.10211	1.6
341.10483	1.4
359.15082	2.2
389.16162	5.8
585.23755	6.1
614.22748	1.2
615.24518	12.4
763.29736	4.2
768.80426	1.1
793.30682	1.7
811.31702	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77819	1.3
64.10236	1.4
70.81621	1.4
84.00586	1.3
86.80067	1.4
89.45481	1.4
95.11075	1.2
116.92802	2.2
135.52551	1.7
150.03188	8.5
167.24358	1.6
178.02707	43.6
190.87381	1.6
191.45032	1.5
193.05022	1.7
210.01712	1.9
254.09477	3.3
273.60770	1.6
277.21851	1.7
282.08987	28.2
296.23111	2.0
297.11331	100.0
697.99469	1.7
811.58087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.05320	0.9
71.01420	1.1
71.05021	6.1
71.12365	0.8
72.40057	1.0
84.57655	0.8
89.02440	3.6
97.06583	1.9
101.02455	2.1
112.61864	1.0
113.02447	2.2
115.57007	0.9
119.08694	0.9
121.10242	5.3
125.09677	7.9
131.77513	0.9
137.09734	12.9
161.04532	1.7
167.10773	17.1
171.10281	21.4
176.32216	1.0
185.11823	13.1
195.10309	4.2
195.95490	0.9
207.14034	1.1
207.17516	1.4
209.11821	1.2
219.13994	1.5
235.17084	1.2
237.15073	1.5
247.17084	7.7
247.20793	1.0
251.16547	37.8
253.09306	14.8
265.18109	64.8
273.18658	1.7
291.19705	47.3
309.20752	100.0
371.61594	1.0
409.63815	1.0
497.25931	1.1
501.27145	41.7
514.18176	1.0
811.37866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81425	0.7
59.01389	1.2
66.88776	0.7
71.01369	1.5
76.63261	0.7
84.59796	0.7
85.02964	5.5
92.05000	0.8
97.06570	1.8
125.06084	1.4
137.09711	1.6
165.05586	1.0
171.10281	14.7
183.13893	10.9
188.16853	0.9
211.13387	16.5
221.11806	0.8
229.14465	4.3
291.19650	4.2
309.20663	2.9
327.21811	100.0
328.22168	1.4
329.22760	0.8
569.03204	1.0
783.81818	0.9
811.31451	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51593	0.3
57.03447	0.4
67.15373	0.3
85.30714	0.3
99.08150	3.1
101.67368	0.3
103.88614	0.3
109.50212	0.3
117.63110	0.4
127.11265	1.8
139.11293	1.9
167.14392	0.7
171.10251	6.8
183.13860	2.8
193.12309	0.7
199.13481	0.3
209.11923	0.5
211.13411	33.0
229.14456	22.1
275.62958	0.4
293.21237	0.6
311.22333	1.4
329.23361	100.0
524.81610	0.4
593.06348	0.4
726.54266	0.3
819.31866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
70.04905	0.7
86.32796	0.8
96.66946	0.9
135.67488	0.8
206.59689	0.9
277.21741	100.0
380.93826	0.9
393.26364	6.1
414.98840	0.8
628.08008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19154	0.5
78.03680	0.7
111.90456	0.5
126.35369	0.6
202.05368	0.6
253.55331	0.6
255.23314	2.3
271.20770	2.3
299.20255	5.7
317.21252	100.0
480.31070	2.4
489.65396	0.6
778.13330	0.7
812.55011	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28394	0.6
62.08139	0.5
62.11011	0.6
66.89882	0.7
67.56895	0.5
67.57269	0.5
72.99299	7.0
77.12152	0.5
81.07928	0.6
83.05029	8.4
87.74043	0.5
92.04868	0.5
111.04504	16.3
115.03994	5.6
127.04003	51.8
129.05560	5.3
137.02449	2.7
155.03502	69.4
170.92587	0.7
171.02954	1.1
173.04524	0.9
189.04066	1.2
191.05699	0.6
199.02493	47.5
217.03539	100.0
300.02783	6.1
566.76605	0.7
595.13251	3.7
655.59424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
63.88316	0.1
71.01362	0.2
74.90115	0.1
79.27765	0.1
85.02965	0.6
87.00890	0.3
89.95281	0.1
91.09208	0.2
91.78786	0.2
92.23101	0.2
93.03474	0.3
98.17254	0.1
126.31754	0.2
127.04008	0.2
135.04547	0.3
155.03500	0.2
159.62398	0.2
161.02463	2.0
173.04529	0.7
175.04088	0.3
179.03493	1.1
191.05623	100.0
222.45921	0.2
257.08197	0.8
259.51462	0.2
299.01694	0.2
319.76563	0.2
327.21445	0.2
329.50067	0.2
351.07440	0.2
353.08817	27.3
606.80219	0.2
651.35571	0.2
813.23157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
71.01376	0.7
77.03702	0.4
92.23080	0.9
96.95979	0.4
100.03305	0.4
101.02407	0.4
113.02445	0.6
119.03522	0.4
123.79920	0.4
125.91451	0.4
175.03992	1.6
206.30196	0.4
268.03781	22.2
283.06146	100.0
299.18695	0.4
307.10318	0.5
327.21841	0.5
391.12326	0.5
469.15634	6.6
715.25964	0.5
753.21625	2.9
813.30701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.43547	0.8
63.20796	0.7
64.28638	0.7
71.01379	0.9
85.28443	1.0
111.66161	0.9
133.02963	13.0
134.03740	12.7
135.04527	56.3
137.02457	1.6
148.05270	6.7
149.02425	1.9
149.06021	0.9
150.03217	11.3
160.01688	3.4
161.02443	81.4
164.04781	1.6
165.05554	15.9
171.10265	3.2
175.03999	19.4
178.02811	3.1
179.03503	38.6
180.04279	1.1
189.95193	0.8
193.05023	11.5
198.21071	0.8
205.05060	3.3
218.01604	0.9
235.46869	1.0
236.38626	0.9
237.14920	1.6
263.09372	0.9
279.08716	3.7
290.54562	0.9
306.69217	0.8
341.10284	1.0
343.21277	9.7
345.68860	0.9
397.37927	0.8
423.13113	1.5
441.14038	11.0
469.17017	1.4
616.17615	1.1
617.19244	12.3
671.19458	1.9
765.23657	3.4
795.24896	11.5
813.26215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37399	0.7
59.01367	3.8
63.62685	0.7
67.01888	1.4
69.03475	0.9
71.01376	1.8
73.02929	1.0
85.02963	1.5
85.17365	0.7
86.12343	0.8
87.00851	3.4
89.02435	3.5
93.03451	23.0
101.02437	3.9
107.27088	0.9
111.04528	4.7
113.02467	1.5
118.33179	0.7
119.03493	1.2
123.04494	0.9
133.03012	1.0
134.03702	7.8
135.04532	1.0
149.06073	3.8
150.03200	4.4
151.03987	5.6
160.01672	4.0
161.02446	13.2
165.05554	18.8
173.04570	13.1
175.03992	32.8
176.04823	5.8
178.02737	3.6
179.03537	1.2
191.05638	100.0
191.07184	17.3
192.04384	1.2
192.05988	1.8
193.05038	45.5
195.06647	9.5
207.06618	4.5
235.06117	39.3
260.22501	0.8
265.07199	3.9
276.31952	0.8
295.08270	2.0
341.10229	6.3
355.11975	1.3
367.10397	58.3
383.11627	3.3
454.14987	1.1
455.15631	4.7
465.11383	0.9
551.17841	1.4
651.22961	17.9
786.86371	1.0
813.28363	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.298
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04595	0.8
106.09749	1.0
134.03749	1.5
135.04529	2.1
150.03174	1.0
160.01674	1.0
161.02448	2.0
165.05562	1.4
175.04037	4.5
179.03456	1.1
193.05028	1.2
195.06601	1.5
225.05649	4.6
226.06322	1.8
240.04192	5.2
240.07921	17.3
241.05060	22.0
241.08810	1.1
247.06142	3.8
255.06636	87.5
256.07437	41.4
256.10150	1.2
257.75919	1.0
270.08984	100.0
271.09781	63.2
271.12799	1.9
301.10837	72.3
343.21594	1.2
439.15897	1.3
458.00540	0.9
470.90448	1.0
492.11755	1.1
742.29730	1.2
774.70087	1.1
813.27582	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.8
71.01395	8.3
72.99310	12.8
73.62500	1.0
81.06346	0.9
85.02932	2.4
87.91452	1.2
88.98804	2.2
89.02442	11.4
96.95978	2.5
97.98926	1.1
99.00863	7.5
101.02387	7.9
109.26772	1.2
113.02456	7.0
119.03489	1.7
126.95486	1.1
145.08664	8.1
147.04527	6.0
149.02408	24.1
149.04434	1.4
164.04794	77.1
179.07140	8.8
190.02725	17.0
191.05580	1.6
205.05052	28.1
208.03755	16.1
223.06129	100.0
237.67851	1.2
270.08917	1.4
274.15936	1.3
331.52872	1.2
343.69006	1.1
365.39731	1.2
443.15561	5.8
445.29739	1.7
461.17252	3.7
632.38690	1.2
651.33502	1.1
667.22528	96.9
813.26788	3.8
813.40314	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.6
60.64003	1.8
71.01387	2.0
77.45645	1.8
80.53111	1.7
92.23038	2.4
115.03955	3.4
127.03989	3.1
149.02452	7.7
149.06097	3.0
150.03233	63.5
151.03967	4.2
155.03474	4.4
161.08362	1.8
164.04718	2.6
165.05560	100.0
180.04279	12.5
181.05078	2.6
191.05629	2.2
195.06654	36.9
221.08598	3.0
272.16541	2.0
309.60013	2.0
334.53720	2.4
343.21091	2.6
391.17621	3.0
406.16431	3.7
407.17575	2.4
421.18820	7.8
452.46420	2.2
453.85626	2.2
461.15634	2.0
569.23792	4.8
599.25519	2.9
617.25964	19.0
728.16589	2.6
765.31238	10.9
813.33502	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
73.12863	0.9
73.98524	0.8
78.09803	0.8
87.60681	0.7
104.62747	0.9
122.03705	4.6
133.02888	1.6
134.03700	6.6
136.01648	4.9
137.02415	4.0
146.03778	1.4
147.04536	2.1
147.90768	1.0
149.02440	10.5
149.06073	13.6
150.03226	66.0
151.03990	12.0
152.04793	1.8
161.06029	1.6
162.03246	1.8
164.04776	9.5
165.05565	100.0
175.04082	1.2
179.07083	2.1
180.04286	10.4
181.05061	6.1
194.05797	4.0
195.06633	32.7
199.37306	0.9
209.08209	2.3
277.79739	0.9
361.12933	4.9
375.14359	3.7
376.15158	4.5
391.13525	2.2
391.17743	4.8
405.15643	1.5
406.16312	10.5
421.19193	9.1
569.24036	7.0
595.27313	1.1
599.24786	1.6
616.25140	4.5
617.25909	11.2
671.26398	1.6
717.29504	2.3
747.30499	5.3
765.31512	15.2
795.32721	10.8
813.33545	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.6
61.68185	1.3
71.01386	27.7
73.02940	5.7
75.29661	1.1
81.51438	1.2
85.02956	5.7
86.30067	1.3
87.55935	1.2
89.02434	34.8
97.02943	1.3
99.00854	2.2
101.02445	27.5
106.87954	1.2
108.74592	1.1
113.02423	14.1
115.04015	1.8
119.03480	13.4
119.05032	1.6
131.03485	2.8
135.04512	1.8
139.07390	1.3
143.03464	1.7
159.03067	1.6
161.04570	7.7
175.11591	1.3
179.05615	6.1
180.71101	1.3
193.22569	1.4
221.06616	6.4
256.07611	2.0
259.08249	5.8
332.88983	1.4
350.77731	1.5
655.33514	100.0
813.27777	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.1
59.01384	24.4
60.45890	0.5
71.01376	12.6
72.99316	0.9
73.02962	0.8
83.01379	0.7
85.02959	1.5
87.00888	1.1
87.04508	0.7
87.92333	0.5
89.02443	15.9
92.22600	0.9
95.01377	1.3
99.00858	0.6
101.02444	16.3
113.02455	7.8
119.03479	7.2
121.46387	0.6
135.04567	0.8
171.10269	0.7
179.03488	0.7
201.09181	0.9
203.10835	1.0
241.12317	2.6
254.13144	1.5
256.14688	16.3
257.15402	0.8
269.00876	2.6
269.15482	3.0
270.16269	1.2
274.15805	12.3
281.15549	2.8
287.16455	1.0
339.23251	3.7
340.20404	7.4
343.21350	0.9
357.24130	0.9
358.21698	1.4
373.49905	0.6
379.26022	0.7
383.30304	0.6
391.26416	1.2
397.27545	2.5
409.27609	5.6
415.27979	1.1
427.28589	7.6
435.25531	0.7
445.29514	0.9
453.26242	4.5
487.67728	0.7
508.27197	0.8
520.26776	4.2
522.28644	5.3
538.28381	0.9
589.33868	2.8
606.34167	2.9
607.34692	8.8
615.32166	1.1
633.32733	14.0
769.40625	1.1
813.39258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	45.5
71.01384	16.1
72.97543	2.9
72.99345	6.3
73.02949	1.1
75.00873	1.1
81.59852	1.1
84.62673	1.1
85.02979	5.3
87.00893	1.3
88.72939	1.2
89.02443	21.7
89.02882	1.2
92.22511	2.5
101.02454	14.2
103.00369	30.8
113.02475	9.1
114.38531	1.2
119.03525	8.6
135.04596	6.7
144.48975	1.3
165.05588	1.8
179.03471	9.8
190.02960	1.2
197.04597	8.5
256.14813	2.2
269.15552	2.1
271.17493	1.3
272.14282	1.7
273.18637	1.6
274.15823	10.0
287.16757	2.7
318.26831	1.5
326.95120	1.2
327.08817	1.3
339.23666	1.6
358.21252	1.4
385.71469	1.3
385.77432	1.6
409.27838	7.2
427.28928	6.2
445.29941	3.0
454.22394	6.4
520.26898	1.6
522.28906	1.5
589.33954	2.0
600.76611	1.3
606.34613	8.8
607.35706	7.4
677.57147	1.6
769.40887	2.3
813.40094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15543	0.7
59.01384	31.0
60.82222	0.7
71.01379	14.7
73.02943	1.5
75.00885	0.8
85.02948	4.1
87.00886	3.2
89.01937	1.4
89.02439	20.2
93.03452	1.6
93.09168	0.9
96.96022	0.9
99.00932	0.9
101.02441	17.4
111.00862	12.4
113.02443	9.2
116.92850	1.3
119.03487	5.8
134.03703	1.1
139.78990	0.8
147.84770	0.7
152.11819	0.9
163.04004	1.1
173.00938	1.4
173.04567	1.5
181.05005	1.1
191.05666	11.7
191.52486	0.8
193.05005	1.2
201.09485	0.8
205.05142	1.2
241.12340	3.3
244.14391	0.8
254.13115	1.1
256.14679	12.0
257.15475	1.5
269.15323	1.6
271.09995	0.8
274.15759	13.5
281.15509	1.7
287.16696	1.1
300.17337	0.9
339.23343	1.6
340.20547	3.7
367.10208	6.3
371.35767	0.9
397.27542	3.4
409.27585	7.7
427.28601	7.8
453.26535	3.7
491.27515	1.1
520.26666	3.4
522.28253	9.5
531.19128	1.5
538.28235	1.7
589.34033	1.6
606.34558	5.5
607.35443	5.6
633.32825	14.1
656.49554	1.1
772.51929	0.9
813.39392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
81.73064	0.6
86.60323	0.5
99.08155	2.8
113.02424	0.7
124.95017	0.5
127.11328	1.1
139.11287	3.2
155.14461	1.0
171.10284	9.1
173.27718	0.5
183.13934	2.3
193.12415	0.6
211.13406	30.4
211.15405	1.2
229.14456	20.6
283.06140	1.1
293.21103	1.2
327.21805	3.2
328.22159	1.3
329.23370	100.0
331.10666	0.7
346.92123	0.7
379.90472	0.5
521.99670	0.5
549.27405	0.7
813.38544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
63.34118	0.2
101.02465	0.4
113.02412	0.2
127.11264	0.5
134.57010	0.2
171.10283	7.3
253.09210	1.9
279.23318	29.2
295.22928	0.3
297.24380	100.0
499.08997	0.3
515.31982	2.3
528.64148	0.2
752.43964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76886	0.2
74.17617	0.3
83.61770	0.3
88.16558	0.3
88.29631	0.3
89.23786	0.3
127.11273	1.1
135.75415	0.3
141.12863	8.6
145.42522	0.3
155.10768	0.6
155.14424	3.6
169.25229	0.3
249.22275	12.8
277.21799	1.4
279.23486	1.0
281.24792	0.4
293.21152	0.4
295.22818	100.0
297.24365	6.5
395.27933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.6624
Annotation	Unknow
Peak:m/z	Relative Intensity
72.18072	0.2
90.52054	0.3
130.31253	0.2
133.02936	0.4
134.03766	1.8
135.04475	1.9
137.02489	1.1
141.87865	0.2
144.95334	0.2
153.96544	0.2
161.02449	5.0
164.10106	0.2
171.44090	0.2
178.02695	1.0
179.03506	3.5
287.49435	0.3
335.33438	0.4
381.33688	1.2
431.31702	100.0
544.72119	0.2
831.80139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56351	0.5
78.85947	0.4
78.95893	1.0
96.58521	0.4
125.09664	3.3
149.09741	0.6
152.99579	2.7
168.04245	0.6
183.13924	0.7
185.11841	11.5
197.11845	1.1
199.13382	0.6
203.07796	0.4
233.40912	0.5
249.22142	0.8
275.05859	0.5
279.23251	3.6
280.23703	2.2
281.24866	46.8
292.31760	0.6
293.21249	100.0
297.21066	0.9
297.24356	21.8
298.24695	16.1
319.23352	0.5
435.25146	1.6
506.32574	29.2
814.55743	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89294	0.5
62.85155	0.5
78.95899	2.6
85.32978	0.6
88.36915	0.6
92.23083	1.3
97.72458	0.6
125.09697	2.9
143.41830	0.6
143.83002	0.6
152.99574	1.3
168.04277	0.8
184.45642	0.7
185.11835	7.8
197.11850	2.6
224.06909	4.0
243.26051	0.6
249.22115	0.9
281.24869	41.4
286.29742	0.7
293.21243	100.0
366.66055	0.7
390.98459	0.7
412.75076	0.7
480.42581	0.7
506.32513	33.2
814.56219	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15904	0.5
78.95885	4.2
81.13548	0.6
85.55347	0.5
102.18182	0.5
102.18907	0.6
111.08138	1.1
118.75015	0.6
124.58021	0.6
137.12102	0.6
142.64439	0.6
152.99565	2.9
166.01527	0.6
168.04311	1.0
171.10242	3.5
182.65309	0.6
183.13899	72.5
224.06978	6.1
277.21750	10.5
279.20178	1.2
279.23303	60.2
295.22797	100.0
504.31009	50.0
504.36810	0.9
755.48218	1.2
814.55969	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70031	2.1
68.33973	2.0
78.64293	2.1
78.95897	9.0
157.08694	30.5
183.10254	10.5
183.13957	3.3
204.80096	2.3
224.06975	10.1
251.23662	3.0
277.21725	45.8
279.23334	70.5
279.26147	2.7
295.22809	100.0
361.07224	2.4
380.96939	2.7
504.31152	73.2
762.21167	2.6
814.42395	3.3
814.56311	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.561
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26559	2.2
78.95918	2.7
79.90697	1.9
98.07146	2.3
103.05119	2.0
110.08079	2.2
190.49254	2.7
209.15475	61.2
277.21732	72.6
279.23312	58.8
295.22791	100.0
324.06387	4.1
379.14310	2.9
456.43481	3.0
504.30899	26.6
784.60651	2.7
814.55280	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59774	0.4
65.67461	0.4
77.02786	0.5
79.95747	2.0
84.47733	0.4
91.73881	0.4
96.96004	100.0
105.58820	0.4
119.19953	0.4
119.97332	0.4
147.43121	0.4
301.19370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.8
59.01386	17.1
66.63493	0.6
68.99815	6.6
71.01382	7.6
72.99319	0.7
75.00877	0.6
85.02923	0.8
85.98425	0.5
87.00855	3.0
89.02444	11.4
96.74493	0.7
101.01874	0.6
101.02437	6.9
105.01948	11.9
106.01957	0.6
113.02431	3.6
118.44504	0.6
119.03506	5.6
123.00877	1.2
125.02401	1.0
128.17174	0.7
138.03203	8.0
149.02487	0.8
150.03168	0.9
153.01889	4.5
153.05574	18.1
160.28017	0.7
162.03186	0.6
165.01953	3.3
168.04279	1.4
175.00368	0.8
176.01163	8.0
177.01897	1.3
177.05518	0.9
178.02718	4.5
179.03539	1.0
180.04272	1.5
189.93547	0.7
191.03545	9.8
192.04301	7.7
193.01471	11.6
193.03107	1.0
193.05081	7.4
195.06526	0.9
197.04587	1.2
205.04945	0.9
207.06647	21.7
208.01895	1.4
208.03790	36.6
214.55795	0.7
223.06129	26.6
371.94263	0.8
459.98404	0.7
647.17682	0.7
755.25671	4.3
785.26526	1.4
815.27673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
71.01369	7.9
72.99313	3.9
84.33369	1.6
85.02963	2.3
89.02445	7.6
92.93500	1.7
99.00866	9.6
101.02412	3.6
105.01936	7.5
111.04546	1.9
113.02431	2.6
120.05428	1.8
121.02983	2.2
123.04509	2.0
134.03719	3.2
145.02966	1.9
145.33340	1.8
148.05247	2.5
150.03221	20.6
151.03609	3.6
151.46527	1.9
152.04785	2.4
165.05583	35.9
166.05914	11.8
167.05919	2.2
173.04692	2.0
174.03214	3.5
176.04814	2.3
180.04340	4.3
191.05629	6.5
191.07175	9.9
192.04500	2.2
195.06659	7.8
196.07039	3.3
219.01558	2.4
220.03836	2.6
235.06085	2.9
238.04785	2.4
250.06480	2.3
256.91013	2.2
262.06281	2.4
263.07062	6.7
264.07922	10.3
265.08771	8.8
267.06644	29.1
278.06107	2.3
279.06668	19.4
279.10251	30.2
282.09000	34.6
293.04831	2.4
293.08160	2.2
294.05365	8.6
294.09000	31.5
295.06131	2.1
297.11404	8.7
305.04648	2.8
307.05923	3.6
308.06921	11.6
309.07742	11.4
310.08560	11.4
321.07703	2.3
322.08511	20.8
323.05606	31.1
323.09299	17.7
326.07996	14.9
330.34982	2.3
334.54074	2.0
338.07993	58.4
341.10321	21.5
353.10315	100.0
367.10254	2.5
371.11353	12.3
443.15546	14.6
619.26801	3.4
767.32953	2.7
785.27032	29.0
797.26721	45.3
815.27063	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.3
59.78835	1.2
71.01379	7.0
72.69224	1.2
73.02911	1.9
78.53036	1.3
79.20495	1.5
85.02938	2.5
92.23016	2.3
101.02428	6.4
101.06065	2.5
113.02450	2.5
121.03008	2.5
134.03709	2.1
149.02429	8.2
149.06062	10.2
150.03238	24.7
161.04529	2.4
164.04735	5.4
165.05556	34.6
180.04308	2.7
195.06630	6.5
195.71558	1.4
205.05022	2.4
283.06265	3.3
283.09686	6.5
284.06409	2.1
285.06754	1.5
311.09384	3.2
322.08548	1.9
323.09244	6.8
325.10870	3.4
340.09479	3.5
341.10251	13.6
343.11929	15.2
355.12109	11.5
431.14969	6.9
444.57394	1.9
470.14462	1.6
491.17224	13.2
503.17337	9.2
521.18536	8.5
589.22833	5.5
717.27502	2.0
767.29193	29.4
779.27972	5.5
797.29590	2.6
815.31409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
60.99303	1.5
62.29061	0.2
67.01885	1.5
69.03477	0.4
69.30951	0.3
71.01380	0.4
71.23504	0.3
83.05006	0.3
85.02962	0.3
86.06873	0.3
87.00877	5.2
93.03453	21.5
99.04517	0.4
111.04516	4.3
113.02456	0.4
115.04007	0.3
117.24812	0.3
118.98974	0.2
123.71826	0.2
124.45783	0.3
129.01949	1.0
134.03741	2.0
143.03549	0.4
149.06142	0.5
155.03499	1.4
173.04541	13.9
175.04019	1.0
191.05632	100.0
192.05949	0.3
193.05058	7.6
231.26079	0.3
250.31773	0.3
353.58401	0.3
362.10400	0.3
367.10379	53.3
368.10574	1.0
420.97357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95501	0.5
59.01368	0.8
60.30568	0.4
60.99296	1.1
61.04988	0.5
65.41859	0.4
65.50400	0.4
67.01872	1.9
71.01381	2.1
85.02896	0.5
87.00878	4.8
89.02468	0.6
91.68234	0.5
93.03456	23.4
101.02432	0.6
111.00878	0.8
111.04517	6.0
124.46214	0.6
129.01900	0.8
131.26724	0.4
134.03751	3.9
136.77408	0.5
149.06021	0.5
155.03552	0.6
170.72971	0.5
173.04553	22.6
175.04019	0.7
179.03600	0.7
191.05635	100.0
193.05075	9.6
197.04599	0.6
205.05042	0.9
367.10376	62.2
367.20688	4.1
379.31415	0.6
606.99475	0.6
754.98413	0.6
815.38904	2.5
835.51886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
60.99308	0.8
61.98837	0.5
67.01889	0.9
71.01376	2.6
81.03455	0.5
83.05055	0.6
84.13708	0.5
85.02917	1.9
87.00857	5.7
89.02440	0.5
93.03445	19.9
99.00874	0.6
101.02447	1.1
111.04507	5.2
113.02457	1.0
129.01941	0.7
134.03737	4.0
140.93307	0.4
151.03940	0.7
155.03484	1.1
170.45404	0.5
172.26762	0.5
173.04543	25.1
175.03981	1.0
191.05621	100.0
193.05070	11.2
205.05112	0.6
235.74295	0.6
271.37814	0.5
305.21860	0.5
315.37027	0.5
333.20746	3.1
355.19748	0.5
367.10352	72.0
367.21140	2.5
495.26053	31.1
586.13110	0.6
593.29718	3.3
657.31323	4.2
815.40997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16518	0.5
58.12738	0.5
59.01381	69.8
117.25121	0.6
121.02941	0.8
131.66998	0.6
143.57663	0.6
165.12791	1.0
209.11844	100.0
341.81308	0.6
605.34369	0.8
759.36957	0.6
815.38910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70480	1.8
59.01384	17.0
71.01371	4.3
78.50283	1.9
85.02914	1.9
89.02449	12.1
97.75679	1.8
101.02426	10.4
103.16170	2.2
111.00835	2.3
113.02449	2.6
205.04878	2.4
241.08755	12.4
255.10211	3.8
297.14941	3.1
318.17993	2.2
379.22491	2.8
437.27078	48.5
455.28217	17.3
585.76093	2.1
602.48663	2.3
616.30658	2.1
617.33429	100.0
658.00922	2.7
779.38489	4.9
815.36823	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.7
62.27275	1.1
69.03468	1.3
69.11600	1.0
69.88993	0.9
71.01012	1.3
71.01382	28.8
72.99310	1.3
73.02950	5.5
83.01390	2.2
84.90049	1.0
85.02946	6.8
87.00867	12.2
89.02445	46.9
94.71004	0.9
95.01368	4.1
97.02939	2.0
101.02441	34.7
113.02454	20.3
119.03516	9.1
125.02444	8.5
126.14801	0.8
131.03464	7.0
139.21980	0.9
141.02002	1.2
143.03496	4.0
152.99541	3.3
161.04555	8.1
179.05597	5.9
203.05603	1.9
221.06638	9.7
225.99841	1.2
235.08321	2.3
253.09409	1.1
255.23322	33.8
383.12076	1.9
397.13870	3.5
415.14200	1.2
419.72449	1.1
559.18854	100.0
577.19958	22.2
815.42853	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.6266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	0.4
59.53869	0.3
60.99290	0.4
78.47304	0.3
83.19820	0.3
123.03566	0.4
150.03200	0.6
165.05577	0.5
185.59564	0.4
194.16489	0.3
199.00471	0.3
265.25427	2.3
283.26456	100.0
313.27536	77.2
736.61688	0.4
767.41571	0.5
849.81610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
73.04056	1.6
76.01002	0.7
84.94876	0.7
85.04082	1.3
87.05635	2.9
97.86423	0.6
99.02045	0.8
99.05679	1.0
109.04063	3.1
111.05613	0.8
113.03544	1.5
115.05096	3.3
116.07170	16.8
121.77428	0.7
126.06688	1.3
127.05071	1.1
127.08810	0.8
129.10359	0.9
141.06743	0.8
144.07759	6.9
156.07794	3.0
169.09784	1.3
186.12482	9.1
195.11482	1.0
198.12399	0.7
200.07201	5.3
202.12379	5.3
210.12482	1.5
212.10423	1.0
212.13992	1.5
228.13556	3.7
231.77376	0.7
237.12367	0.8
239.15128	7.8
242.18839	3.1
246.11549	1.0
257.16220	4.1
263.14059	1.8
269.16306	0.8
281.16013	0.8
281.19611	1.3
281.45505	0.8
289.76807	0.7
290.18750	0.9
299.20847	9.4
323.20883	3.5
325.18777	1.2
334.17761	0.9
341.21982	6.3
347.21225	1.1
352.23474	1.7
370.24524	4.8
382.24692	3.6
391.19812	3.4
391.88589	0.9
403.19995	1.3
424.25476	1.2
469.27744	3.4
499.28940	2.9
504.28638	3.2
527.72589	1.0
617.36536	1.0
728.39880	4.6
742.41370	4.3
772.42633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96509	3.2
97.99909	1.7
127.67322	1.8
136.07695	18.1
188.43433	2.3
198.02420	2.0
199.08771	2.1
212.31070	1.8
227.08218	3.2
243.07773	12.0
269.09418	15.5
271.07193	8.4
281.09329	9.0
283.07257	3.7
285.09125	1.9
297.08856	12.8
299.10239	2.1
303.09882	9.2
307.07224	2.6
315.09863	4.0
323.99539	2.5
325.08316	2.6
816.48334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43350	2.5
66.95013	2.1
93.68468	2.4
96.45136	2.4
136.07683	3.8
243.07716	12.6
253.09871	3.4
269.09360	4.0
271.07300	15.2
283.07214	16.0
297.08871	2.6
593.39801	5.5
621.39441	5.4
816.48254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17554	0.5
72.99309	9.1
75.83800	0.6
78.95911	9.4
80.44416	0.6
81.74979	0.8
89.55534	0.6
92.21045	0.6
96.96014	1.5
96.96958	29.3
112.52157	0.8
123.04559	0.8
126.92920	0.8
133.29601	0.7
135.04510	1.2
143.19951	0.8
179.03487	14.0
197.04572	100.0
359.09921	35.8
457.07599	45.7
457.14038	1.6
664.35876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04323	0.6
59.62563	0.6
59.63724	0.7
66.07224	0.6
67.93222	0.6
72.99303	10.2
78.95905	8.9
92.16074	0.7
96.96006	1.3
96.96952	33.1
123.04491	1.1
135.04517	1.7
146.99092	0.8
167.30251	0.8
179.03493	14.6
197.04562	100.0
215.05649	0.9
252.54840	0.8
359.09824	41.6
445.29996	0.8
457.07544	49.5
528.22968	0.8
654.38513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98666	0.3
67.98292	0.3
68.56943	0.3
71.01379	6.6
71.11166	0.3
72.99302	1.8
74.80103	0.3
79.33449	0.4
89.02449	0.7
91.72630	0.3
92.23101	0.5
92.27110	0.3
95.21748	0.3
112.58006	0.3
115.00360	34.2
121.18501	0.4
133.01427	100.0
188.05719	0.4
270.55029	0.4
380.29681	0.4
573.78333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
59.01379	16.4
69.17043	0.7
69.31145	0.7
71.01373	12.3
71.35668	0.7
71.57413	0.7
73.02938	1.2
83.01378	0.8
85.02943	6.3
89.02438	27.3
92.22468	0.8
95.01370	0.9
99.00876	31.3
101.02428	11.7
113.02435	13.8
116.92850	3.3
119.03471	10.0
119.04993	8.9
131.03491	4.4
137.06088	7.6
149.02464	0.9
149.04573	4.6
151.04005	1.1
156.12900	0.8
159.71396	0.8
161.04604	3.8
164.04791	4.8
168.59331	0.8
179.07161	3.9
191.01839	1.1
191.05632	9.8
208.03830	2.8
211.06192	1.1
223.06143	9.7
277.42627	0.7
293.12262	1.5
299.11246	1.3
339.64133	0.8
385.07455	1.3
385.11728	0.9
410.76532	0.9
431.15637	100.0
462.05438	0.9
508.23712	0.9
770.18097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77385	1.4
77.03290	1.8
93.96892	1.7
99.00862	2.5
113.02387	2.2
131.63306	1.7
132.97488	2.0
149.02443	18.3
150.03227	37.8
164.04778	42.5
165.05559	100.0
178.24179	2.1
179.07167	13.5
180.04321	7.6
190.02682	6.8
195.06648	23.6
198.70131	2.0
205.05038	13.2
208.03796	45.1
223.06108	85.0
371.11325	3.8
382.11154	2.0
418.49686	2.2
419.13577	62.0
518.93353	2.7
621.22113	15.8
632.47491	2.3
817.29187	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
71.01377	4.4
73.02950	0.5
74.19622	0.4
79.72176	0.4
85.02938	2.6
87.00866	0.8
88.19693	0.5
89.02426	5.6
99.00877	2.5
101.02445	3.3
109.02872	0.7
113.02450	8.2
117.44418	0.5
119.03516	0.5
119.05009	4.9
121.02952	0.5
122.03707	0.7
123.00851	0.8
134.03738	94.1
135.04512	1.0
136.01668	7.5
137.02483	4.4
137.06119	2.3
147.04503	3.7
148.05318	5.6
149.06079	93.1
150.03200	1.1
151.04013	2.3
153.05544	4.7
160.01617	4.4
161.02534	0.5
163.04063	0.8
163.37767	0.5
164.04771	0.7
165.05600	4.0
175.03999	15.4
178.02739	3.3
192.04301	13.3
193.05069	28.5
207.06641	5.3
269.08252	0.7
284.10516	3.2
296.05524	0.6
299.11987	0.5
359.15060	2.6
403.14026	100.0
413.14587	42.2
431.16248	0.7
575.90369	0.7
607.20508	20.3
817.29175	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98843	2.7
71.01374	2.6
71.59112	1.3
80.02168	1.5
86.14714	1.4
89.02451	2.1
92.23100	1.8
99.00891	2.2
103.26425	1.6
106.86166	1.8
112.41719	1.4
113.02435	2.1
121.02942	3.5
134.03740	64.3
137.02405	2.7
147.04575	1.9
149.02440	2.4
149.06071	22.0
150.03212	14.0
153.01874	1.6
160.01712	7.6
165.01906	6.9
165.05566	36.7
175.04010	19.6
178.02702	27.4
180.04274	18.7
191.05630	2.4
193.05063	100.0
195.06610	42.7
210.05367	9.3
225.07666	7.8
282.08862	11.9
297.07690	8.6
312.10083	6.4
341.10339	12.4
371.11490	12.1
389.12463	28.1
399.09204	1.8
419.13599	23.7
591.21350	11.3
621.22217	13.9
672.53595	1.7
781.16663	1.9
817.29279	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
72.97039	2.1
74.82027	2.6
78.95929	2.8
89.02450	2.7
95.29154	2.1
141.01720	64.4
195.79346	2.7
277.21707	12.4
359.22098	3.0
397.13419	4.5
437.12860	3.8
675.36078	4.3
697.34369	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
59.95339	0.3
71.01356	0.5
72.99307	0.4
73.02934	0.3
75.38273	0.3
78.07597	0.3
83.01369	0.3
84.02187	0.3
84.35712	0.3
85.02924	0.3
89.02418	1.4
101.02406	2.1
102.93920	0.3
113.02415	0.6
146.55525	0.3
163.04135	0.3
165.05548	0.3
193.05054	0.6
205.05054	0.5
269.66946	0.3
335.22226	5.6
399.16537	0.3
479.26553	2.1
497.27612	100.0
533.72906	0.3
578.31921	0.4
618.55914	0.4
659.32977	18.5
690.87799	0.3
817.26666	1.3
817.40576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
63.52743	0.7
67.08278	0.7
73.63204	0.6
95.57861	0.8
103.09758	1.0
141.01791	1.1
221.26863	0.8
238.08118	0.8
287.20187	100.0
316.20242	0.8
331.19199	42.2
817.46899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66309	0.4
66.74087	0.4
75.78174	0.4
78.95902	27.7
78.96368	1.0
82.44141	0.4
83.10117	0.5
92.22548	0.7
96.31683	0.4
96.96960	3.0
118.92414	0.5
152.99586	100.0
155.46838	0.5
171.00656	2.7
275.78012	0.5
281.24887	2.2
435.25204	53.2
460.70422	0.5
506.13675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38954	0.2
59.01394	2.6
67.01884	0.5
68.69625	0.2
70.98960	0.2
71.01373	2.0
71.22240	0.2
72.82976	0.2
80.05132	0.2
83.05016	0.3
85.02943	1.1
89.02428	0.4
90.98670	0.3
93.03429	0.3
95.01395	0.3
99.04482	0.4
101.02417	1.1
109.02937	0.3
111.04508	1.5
113.02451	2.1
119.03468	1.3
139.04018	4.9
161.04578	0.6
169.05115	0.3
269.87625	0.3
277.21722	4.4
279.23322	100.0
293.24973	1.1
305.24957	0.3
321.24414	1.0
329.24963	0.4
361.27219	0.4
377.27048	3.9
391.28592	6.8
408.28818	0.3
419.28052	3.8
449.29175	1.0
568.05487	0.3
604.84265	0.3
787.02777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
60.98359	0.5
64.50301	0.4
66.39646	0.5
69.03457	1.0
71.05017	1.3
74.84591	0.5
83.05018	4.0
85.02968	0.7
86.72249	0.5
87.04524	2.2
95.05025	5.9
97.06574	4.1
103.91376	0.5
106.04230	3.3
113.02441	24.5
116.79248	0.6
123.08172	0.9
134.56439	0.6
135.08162	18.1
153.09230	3.7
171.10277	29.7
182.17091	0.6
193.15945	0.9
201.11357	11.3
205.15944	1.0
209.11861	1.0
221.15536	1.2
229.14568	1.2
231.14030	1.2
237.15004	8.5
245.19170	0.9
249.14957	8.8
267.16153	1.3
285.17136	2.9
289.17975	2.0
307.19141	1.0
325.20212	2.5
343.21289	100.0
446.88177	0.6
459.77124	0.6
474.12704	7.3
590.31744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.8
59.84061	0.4
61.57428	0.4
62.86343	0.4
151.32281	0.5
211.07726	2.3
227.10791	100.0
250.12601	0.6
269.11990	1.0
275.32599	0.5
301.14487	11.6
338.17697	4.9
382.16565	5.1
394.88391	0.5
550.66779	0.5
566.29559	3.4
611.69891	0.5
640.32898	14.9
684.31921	31.2
714.36469	6.8
758.35577	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23788	1.1
79.85914	1.2
82.13390	1.4
87.05638	2.9
95.45477	1.2
101.11199	1.4
129.10345	13.0
140.07167	5.4
153.11572	1.6
155.08302	6.5
165.10333	3.2
166.22116	1.4
183.11366	2.2
200.14052	8.9
200.70647	1.4
207.15073	21.9
224.17682	5.2
225.16100	3.2
241.13489	5.4
242.11884	7.3
242.18733	25.7
259.14572	14.8
265.44547	1.3
272.36487	1.4
274.00500	1.4
276.17090	1.9
295.21506	13.8
312.17148	6.0
313.22424	12.9
330.18384	5.4
337.26147	18.1
347.20990	2.2
355.27133	10.8
371.24390	2.1
389.25754	1.7
402.91284	1.5
403.95709	1.4
410.23392	1.5
426.30835	2.2
439.19202	1.4
443.26675	2.1
502.33685	1.4
539.39380	5.8
548.33624	1.4
552.60693	1.3
556.34802	1.8
573.37524	5.2
615.42828	2.1
782.51984	79.0
790.96625	1.6
807.98474	1.7
818.49713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15393	0.4
73.34842	0.4
78.95891	4.0
109.05090	0.5
152.99573	3.3
155.10786	12.9
162.95512	0.5
168.04285	1.1
171.10284	3.3
188.19807	0.6
224.06920	5.8
242.08002	0.9
279.23309	13.9
281.24872	61.7
295.22937	0.9
297.24371	100.0
506.32547	46.7
530.36877	0.7
759.51697	0.7
818.59753	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
59.06954	0.6
71.01370	1.5
81.62344	0.7
85.02975	1.1
87.00901	0.9
93.03447	6.7
111.04494	1.9
125.02400	1.8
135.04524	36.9
137.02448	4.9
143.25952	0.9
155.03542	4.2
161.02417	1.6
173.04547	100.0
177.01839	1.1
179.03506	65.7
181.01585	0.8
191.05627	47.3
260.63452	0.9
275.05765	0.8
285.04037	1.6
293.89337	1.0
303.05173	4.5
322.33530	0.9
353.08813	85.2
416.25601	0.9
465.09702	5.7
476.80011	0.9
670.58698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.19880	0.7
70.13071	0.7
71.01392	0.9
85.02962	1.1
87.00873	1.2
93.03453	8.8
94.49032	0.8
103.52206	0.7
111.04505	2.0
120.23535	1.0
125.85442	0.7
126.89864	0.8
133.84741	0.7
134.03732	13.4
135.04523	11.2
137.02451	3.7
149.06084	42.0
151.04015	5.7
155.03499	5.3
161.02457	5.4
173.04549	40.6
179.03513	21.5
186.70049	0.8
191.05617	16.2
193.05081	26.3
195.20032	0.8
229.01521	1.5
232.07413	5.5
247.09685	6.0
291.08780	91.9
330.42981	1.0
346.92767	0.9
353.08823	27.0
367.10507	1.2
417.23291	0.9
441.14178	6.8
465.14093	100.0
819.24475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.8
72.71814	0.6
82.46011	0.5
87.00870	1.0
92.52589	0.5
93.03448	7.7
111.04510	3.4
134.03735	5.1
135.04535	7.5
137.02452	3.1
155.03485	4.4
161.06110	1.2
163.04027	1.2
173.04547	100.0
179.03506	20.4
179.05022	1.2
191.05640	16.7
193.05049	12.4
194.05605	0.7
205.05061	23.5
233.08177	3.6
245.06665	4.0
258.69989	0.6
277.07187	1.0
345.38278	0.6
364.08987	0.6
367.10318	6.1
451.12534	79.5
469.19247	0.5
737.81586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
63.19880	0.7
70.13071	0.7
71.01392	0.9
85.02962	1.1
87.00873	1.2
93.03453	8.8
94.49032	0.8
103.52206	0.7
111.04505	2.0
120.23535	1.0
125.85442	0.7
126.89864	0.8
133.84741	0.7
134.03732	13.4
135.04523	11.2
137.02451	3.7
149.06084	42.0
151.04015	5.7
155.03499	5.3
161.02457	5.4
173.04549	40.6
179.03513	21.5
186.70049	0.8
191.05617	16.2
193.05081	26.3
195.20032	0.8
229.01521	1.5
232.07413	5.5
247.09685	6.0
291.08780	91.9
330.42981	1.0
346.92767	0.9
353.08823	27.0
367.10507	1.2
417.23291	0.9
441.14178	6.8
465.14093	100.0
819.24475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.1
69.03458	1.5
71.01376	17.9
72.99307	43.1
85.02941	7.8
89.02440	23.6
92.23090	1.6
92.64056	1.3
96.96005	5.3
99.00871	8.3
99.80831	1.5
101.02441	13.6
108.36432	1.3
113.02448	23.7
113.58609	1.5
119.03468	6.7
123.04515	2.4
134.03738	10.0
135.04515	23.7
138.22676	1.5
148.25104	1.3
149.02489	1.6
149.04541	2.5
149.06041	6.5
150.03197	8.4
153.05577	9.3
160.01688	1.7
161.04485	2.1
164.04758	1.6
165.05573	19.2
175.03995	9.0
178.02745	6.0
191.05579	1.9
193.05074	15.7
195.06627	2.5
201.03465	1.4
209.92638	1.3
250.11252	1.5
282.09225	2.0
315.10815	11.5
317.01413	1.4
341.10263	2.2
354.70529	1.5
390.64758	1.6
429.14050	52.6
441.97876	1.6
447.15045	10.5
450.09622	1.3
498.20016	1.5
623.19598	27.4
819.27313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80649	1.6
59.01382	18.4
64.90780	1.9
65.46233	1.5
67.47700	1.7
71.01012	3.3
71.01380	73.9
72.99303	28.8
85.02946	2.6
88.75051	1.8
89.19810	1.6
95.83170	1.8
101.02405	2.2
110.36159	1.7
115.00349	21.9
119.06703	2.2
120.66516	1.9
133.01421	1.8
136.29106	1.9
138.95528	1.7
238.76541	1.9
329.23315	11.9
371.15222	2.5
447.49167	3.5
489.24158	1.9
567.83252	2.2
605.21844	3.2
801.26581	15.0
819.27258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.4
62.92784	0.7
71.01377	100.0
72.99300	13.1
73.02919	5.0
73.61668	0.7
73.64359	0.7
80.02236	0.7
80.92474	0.9
83.01331	0.9
85.02934	7.7
87.00864	0.8
95.01348	1.1
96.99268	1.0
97.02959	0.9
101.02451	9.2
113.02451	6.4
114.93361	4.3
115.00349	16.3
115.04005	9.6
133.01408	1.6
159.02925	1.3
161.04539	11.7
253.23860	0.9
273.43774	0.9
315.12411	1.1
320.90836	0.9
356.12701	0.9
371.15067	1.0
443.90277	1.1
471.92520	0.9
605.22522	18.3
801.26135	12.1
819.26917	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70834	1.1
59.01378	19.2
71.01377	18.7
72.99304	32.3
85.02947	9.1
89.02441	21.6
96.96021	2.1
99.00865	9.0
99.12209	1.2
101.02442	17.4
111.00875	1.4
111.27198	1.1
113.02448	21.6
113.26054	1.2
119.03465	8.5
119.38499	1.1
123.04502	7.0
126.07083	1.3
134.03749	9.9
135.04523	24.6
149.02441	1.4
149.06099	7.9
150.03160	8.9
153.05528	10.7
160.01691	1.5
165.05582	15.6
175.03984	10.5
178.02715	5.1
189.05640	1.7
191.05659	2.2
191.07242	1.5
193.05029	18.1
195.06543	2.0
236.31854	1.2
279.45813	1.4
282.08981	5.2
305.32120	1.3
315.10913	14.8
341.10315	2.0
429.14053	50.8
447.15182	8.7
555.56873	1.5
565.16602	1.6
623.19989	24.2
771.25366	1.6
801.26825	2.0
819.27301	100.0
846.75470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	4.3
59.01385	100.0
61.98830	14.6
63.29489	2.1
64.99425	1.8
70.40730	2.1
71.01385	8.9
73.02943	2.9
86.03781	2.2
89.02433	4.5
101.02461	8.5
113.02455	3.2
119.03555	3.0
132.16760	2.3
205.05011	2.9
210.02449	2.4
210.93268	2.5
234.97801	2.5
294.48834	2.4
721.23737	10.4
804.18274	2.4
819.26904	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
72.79780	0.5
72.99303	38.2
80.78375	0.4
103.00275	0.4
115.03952	0.5
116.92857	0.5
123.04514	8.6
135.04518	8.7
179.03502	45.3
191.05614	0.6
197.04564	100.0
216.03278	0.5
341.08774	0.7
359.09891	12.4
457.13580	80.4
517.71222	0.6
850.86591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89577	0.7
65.32764	0.6
67.87008	0.6
72.99301	38.8
86.01868	0.7
97.79267	0.6
123.04505	8.3
135.04504	12.2
148.93935	0.7
167.15744	0.6
179.03508	48.5
197.04568	100.0
359.09943	15.5
369.45798	0.7
439.94397	0.8
457.13580	74.4
670.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72866	0.3
70.79723	0.3
71.01374	6.5
72.99300	2.0
87.00854	0.4
89.02431	1.3
115.00355	36.8
122.19273	0.3
124.07450	0.3
133.01421	100.0
165.09184	0.3
229.03023	0.3
446.09647	0.4
522.57391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99018	0.4
59.01377	2.6
71.01378	2.3
71.05017	1.8
73.44672	0.4
76.22621	0.5
85.02943	6.8
97.02941	21.6
103.75102	0.5
113.02423	0.6
114.93407	5.2
115.00358	0.9
115.04002	100.0
201.91068	0.5
230.47456	0.5
262.27518	0.4
275.94586	0.4
298.38043	0.5
368.81342	0.5
385.03326	0.5
500.49835	0.5
661.25732	0.7
775.81262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07164	4.2
59.01097	6.0
59.01379	100.0
66.44652	3.1
71.01384	46.8
73.02943	17.0
85.02942	23.6
89.02450	6.9
99.00920	5.5
101.02434	34.6
104.09969	3.4
113.02424	23.8
115.03989	30.6
126.42764	3.4
153.38373	3.3
159.02977	4.7
161.04549	88.5
165.05621	6.9
178.02669	5.5
193.05162	6.8
204.81503	3.4
231.72618	3.3
279.21262	3.6
300.10196	3.9
301.25385	3.6
371.15030	4.0
374.62393	3.3
375.74594	3.5
401.16174	6.4
405.97626	3.7
486.83270	4.1
563.21484	17.5
575.18018	3.6
819.34814	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22475	0.6
69.30790	0.6
75.14783	0.7
79.24812	0.6
93.03456	0.9
111.04509	0.9
112.10026	0.7
117.03444	1.7
122.79568	0.7
134.03740	35.8
149.06049	7.7
155.03539	2.9
173.04512	3.7
191.05602	2.9
193.05063	100.0
315.19769	0.7
339.72668	0.7
364.32202	0.8
367.10367	52.7
604.28693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.8
74.07889	1.1
78.95911	18.9
91.06760	1.0
91.07333	0.8
91.70473	0.9
96.96957	1.4
119.56048	1.0
127.85810	1.0
133.54482	1.0
134.66180	1.0
141.01712	1.2
152.99580	100.0
171.00629	2.5
200.69604	1.1
246.15384	0.9
284.37335	1.1
295.74225	1.1
305.17950	1.0
409.23676	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81152	0.2
62.41549	0.2
63.20189	0.2
65.40509	0.3
65.83546	0.2
66.31230	0.2
78.95901	28.7
96.96941	2.5
150.98027	0.6
152.99588	100.0
171.00659	2.3
175.41734	0.3
255.23349	2.9
302.62158	0.3
375.51178	0.3
409.23651	60.7
489.20529	0.6
599.08362	0.4
670.68549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70911	0.2
78.95899	31.1
82.98071	0.2
96.96960	2.9
118.06087	0.2
137.30725	0.3
150.98026	0.5
152.99582	100.0
171.00645	2.5
191.32294	0.2
202.36911	0.2
226.83611	0.2
252.17705	0.2
255.23331	3.6
310.01779	0.3
358.93945	0.3
408.74054	0.2
409.23651	55.3
489.20407	1.0
819.48639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01472	0.4
76.13519	0.5
78.95901	29.6
79.48882	0.5
96.96953	2.3
117.67875	0.5
152.99583	100.0
171.00592	3.6
183.42052	0.5
194.90939	0.6
255.23288	3.0
275.03564	0.5
354.24277	0.6
409.23636	57.6
486.36362	0.6
489.19968	0.7
595.45233	0.5
819.47052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
75.64381	0.8
75.88067	0.7
85.08423	0.8
101.72488	0.7
120.96194	0.8
125.09672	0.9
159.52844	0.7
171.10272	19.1
198.59647	0.9
256.23941	0.8
277.21750	29.8
295.22797	100.0
344.41223	0.8
349.92496	0.9
459.90158	0.9
784.38696	0.9
819.48785	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
60.42056	0.7
71.01385	3.7
74.43217	0.8
75.95098	0.7
89.02433	4.8
92.22538	0.9
101.02431	4.1
113.02447	3.5
119.03496	3.2
149.02449	1.6
161.02472	0.9
164.04774	8.3
165.05437	0.8
176.01167	3.2
178.10182	0.8
179.07124	3.7
190.02716	15.1
191.03522	12.5
193.05116	0.8
194.02188	1.1
203.07158	1.4
205.05063	49.7
206.05820	10.2
208.03761	3.0
209.04568	0.9
221.08203	22.4
223.06134	36.2
237.07629	8.4
250.04857	3.5
265.07181	45.5
279.10809	1.4
295.08350	4.3
325.09286	4.8
385.11618	3.0
469.17181	1.6
470.14282	0.9
485.16727	100.0
696.69250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
59.20403	0.3
67.29129	0.4
67.36367	0.4
71.01376	2.5
74.27551	0.4
78.62514	0.5
79.54396	0.4
84.84623	0.4
85.02947	0.7
97.13123	0.4
99.04513	1.0
101.02464	1.0
113.02442	2.2
115.73104	0.5
117.05538	0.4
149.02431	2.3
163.04065	0.9
164.04797	14.5
175.00334	2.6
179.07144	2.0
190.02734	35.9
191.03444	1.0
205.05072	99.0
208.03748	1.7
209.04567	1.8
223.06137	19.8
251.05635	0.8
265.07162	0.8
470.14609	0.7
485.16714	100.0
769.02417	0.6
820.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79211	0.4
67.43542	0.5
69.42050	0.6
72.98891	0.8
72.99302	25.7
81.46626	0.5
108.64575	0.5
115.47217	0.6
120.01223	0.6
120.64135	0.5
123.04503	5.2
135.04520	7.0
151.03963	0.7
179.03497	33.7
197.04558	100.0
304.45877	0.8
359.09879	77.1
398.21756	0.7
515.45825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.8
60.00122	1.0
71.01383	2.2
73.02951	0.9
78.34940	0.9
85.02937	1.6
101.02451	5.2
113.02412	1.7
114.70193	1.0
121.68639	1.2
137.12373	1.0
149.02415	2.3
152.01114	1.0
161.04643	1.2
164.04782	7.8
175.00287	2.1
179.07104	1.4
190.02731	32.4
190.54918	1.1
205.05077	82.1
208.03714	1.9
216.75711	1.1
223.06068	8.4
277.16629	1.0
302.73608	1.0
340.06323	0.9
342.96954	1.1
409.20932	3.9
469.17227	100.0
570.53961	1.2
624.24542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
60.37907	1.2
63.89631	1.3
68.00423	1.2
71.01409	1.2
78.32423	1.1
89.02442	2.5
99.00861	3.0
105.80756	1.2
111.89795	1.2
117.03377	1.2
134.02716	2.5
134.03735	61.5
143.72672	1.3
149.06093	13.9
153.86726	1.3
160.01636	4.9
175.03963	11.5
178.02640	1.8
193.05058	100.0
228.16106	4.9
283.06119	6.1
297.47760	1.4
313.37756	1.4
371.83545	1.3
514.78680	1.4
591.20905	73.9
786.28442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94050	0.4
73.02932	1.3
81.70660	0.5
84.35294	0.5
88.97626	0.5
99.00842	0.7
99.92592	5.2
114.93387	0.5
116.92854	100.0
117.01919	7.5
152.39221	0.5
189.47116	0.6
286.61539	0.7
424.98773	0.6
492.07834	0.7
688.33661	0.7
848.67871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14642	0.4
71.01386	0.6
72.99309	5.5
89.02430	0.8
99.00870	2.1
109.02939	5.8
113.02431	0.8
116.09938	0.4
116.77631	0.4
121.02948	0.8
123.04496	0.8
135.04500	2.4
149.02426	2.9
151.03973	1.0
165.01944	1.1
166.02690	2.6
167.03511	6.4
179.03523	4.3
181.05110	4.6
197.04558	18.8
198.04912	0.8
202.27330	0.4
298.14496	1.0
299.14993	0.9
311.07721	1.0
329.08801	22.9
343.10339	3.2
359.09897	11.2
461.13077	100.0
504.24326	0.5
668.25470	0.5
821.28583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	4.3
74.02466	10.8
86.02467	2.8
91.48890	2.7
99.05628	11.6
108.21312	2.8
128.03548	33.9
143.04636	64.1
145.06104	3.5
146.04489	4.6
153.06750	3.1
179.04611	11.3
197.04533	3.4
210.08856	18.7
254.07881	4.0
272.08951	18.9
370.07275	12.9
371.08755	4.7
385.09891	30.2
386.10760	4.8
659.20251	13.1
820.66595	3.6
821.25555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	3.6
74.02470	12.1
77.09782	1.5
86.02451	3.6
89.52621	1.5
91.22526	1.5
99.05634	7.0
99.96635	1.8
101.24226	1.5
103.11983	1.3
104.39769	1.6
119.08332	1.5
123.85885	1.8
127.05120	2.7
128.03542	37.6
135.05676	1.7
141.06699	1.7
143.04630	64.2
145.06236	2.4
146.04626	3.7
153.06673	1.7
164.89503	1.6
167.04599	2.8
167.08211	3.3
179.04602	9.6
181.06239	2.4
192.07779	2.7
210.08844	16.3
244.04269	1.9
254.07756	9.9
272.08978	16.8
284.60062	1.8
370.07468	8.8
371.08374	6.0
385.09952	26.3
386.10770	7.6
405.64008	1.7
478.87448	1.9
508.00092	1.9
659.20563	10.3
821.25623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
71.01371	3.8
72.99308	1.2
76.13722	0.6
89.02435	11.2
99.00874	20.8
101.02435	3.7
113.02435	7.9
119.03490	1.5
131.03476	2.5
133.01317	0.8
134.03735	0.8
135.04523	14.4
149.04556	4.0
161.04596	3.2
165.05554	1.3
167.03505	4.1
191.05649	8.4
193.05057	5.0
197.04610	1.2
211.06146	26.3
239.55759	0.6
315.10855	10.6
329.08569	0.9
329.29211	0.7
352.87857	0.7
359.09811	0.9
373.07495	1.5
373.11444	13.7
447.15149	100.0
564.49475	0.9
789.49310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
71.01371	3.8
72.99308	1.2
76.13722	0.6
89.02435	11.2
99.00874	20.8
101.02435	3.7
113.02435	7.9
119.03490	1.5
131.03476	2.5
133.01317	0.8
134.03735	0.8
135.04523	14.4
149.04556	4.0
161.04596	3.2
165.05554	1.3
167.03505	4.1
191.05649	8.4
193.05057	5.0
197.04610	1.2
211.06146	26.3
239.55759	0.6
315.10855	10.6
329.08569	0.9
329.29211	0.7
352.87857	0.7
359.09811	0.9
373.07495	1.5
373.11444	13.7
447.15149	100.0
564.49475	0.9
789.49310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
62.61841	1.0
71.03541	1.1
79.84012	1.1
101.02454	1.3
107.54386	1.3
151.32562	1.5
154.77977	1.2
191.65904	1.4
196.56792	1.2
204.21204	1.5
285.07657	2.8
300.06415	10.6
300.09973	6.0
301.07202	7.4
307.63266	1.4
315.08780	100.0
316.09476	6.4
330.11115	38.5
331.11838	5.3
350.45972	1.2
352.26138	1.7
361.12949	70.0
497.27921	1.9
659.33490	1.6
821.38275	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22022	0.4
65.19359	0.4
65.40460	0.4
87.00872	22.6
93.41705	0.5
116.14200	0.4
116.41566	0.4
127.11320	0.7
129.24445	0.5
141.26431	0.4
153.12848	15.0
197.09996	0.8
197.11858	35.3
215.12898	100.0
276.91440	0.4
380.25690	0.5
497.80267	0.5
557.52161	0.5
690.52545	0.5
742.85968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.3
59.01688	1.9
71.01377	15.9
73.02938	9.0
77.95338	1.0
81.80426	1.0
85.02946	4.3
89.02438	13.9
95.01400	1.2
101.02433	16.6
101.60665	1.0
113.02452	15.5
116.69113	1.0
119.03493	4.7
123.88441	1.1
125.02419	1.4
155.03484	1.4
161.04573	6.1
178.54080	1.2
187.13412	13.5
202.61810	1.2
217.09877	1.1
274.73148	1.3
304.55734	1.2
331.17673	9.8
349.18735	8.6
391.19803	100.0
435.18515	1.4
748.82593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
59.29583	0.7
67.17069	0.6
71.01377	11.4
73.02947	1.3
81.82116	0.7
85.02929	1.4
87.00854	1.2
89.02444	9.0
96.96000	1.6
101.02450	11.2
113.02458	4.9
119.03497	5.0
125.02428	4.4
129.25589	0.8
130.50589	0.8
131.03491	1.2
161.04568	4.9
170.48473	0.8
221.06657	3.6
275.20059	1.2
315.08771	4.9
317.21213	4.5
330.11072	3.0
335.22342	13.3
361.13055	2.8
389.23141	0.9
479.26373	1.5
497.27640	14.4
640.77435	0.9
641.32098	5.0
659.33008	21.8
821.38300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
62.91647	0.7
66.51905	0.8
71.01374	9.0
73.02924	1.7
83.01391	0.8
85.02940	3.1
87.00874	1.0
89.02434	8.4
96.95988	1.1
99.00878	0.7
101.02434	9.8
102.01484	0.7
113.02429	4.2
115.74109	0.8
119.03506	5.5
125.02421	1.7
131.03444	0.9
143.03479	1.1
152.20306	0.8
161.04524	4.1
179.05615	1.7
221.06609	4.2
275.20181	4.6
285.07706	1.3
300.06555	6.0
300.09616	1.3
301.07288	4.4
315.08795	50.9
316.09583	1.0
317.21219	4.0
330.11096	19.7
331.11871	2.9
335.22299	11.1
353.33252	0.8
361.12967	35.7
383.12131	1.8
415.01044	0.8
485.68347	0.8
497.27621	21.3
659.32794	7.9
821.38245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
62.50206	0.4
71.01384	6.7
72.99308	0.9
73.02942	1.0
83.01398	0.5
84.71892	0.4
85.02936	1.8
89.02409	4.0
97.02921	0.8
101.02441	5.5
102.77303	0.4
103.08394	0.4
113.02434	3.0
114.92313	0.4
115.00394	0.4
117.76625	0.4
119.03487	1.7
123.04491	0.5
131.03484	0.4
143.03461	0.4
149.61383	0.4
150.03287	0.4
161.04576	2.0
165.05611	0.6
173.04506	0.8
175.03941	0.5
191.05605	1.0
195.06607	0.5
205.05084	0.7
275.20212	0.9
289.18030	0.5
317.21228	2.8
332.56653	0.5
335.22324	7.4
367.10294	0.6
459.15158	0.5
497.27634	16.4
539.18201	0.6
611.76782	0.6
659.32971	100.0
663.23376	2.0
821.27448	1.7
821.37927	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
62.30809	0.3
71.01385	0.6
72.01522	0.4
83.05019	0.7
83.55062	0.4
85.02954	2.1
87.04525	0.4
95.05021	1.5
97.06602	0.5
109.06590	0.5
113.06067	0.8
135.08125	0.7
165.12959	0.5
171.10272	8.0
180.04222	0.7
183.10201	0.6
185.11856	0.6
191.05600	0.5
195.06689	0.5
199.13425	0.9
201.11429	0.5
203.15530	0.4
209.11855	4.6
211.13489	4.0
221.11847	0.6
223.13316	0.6
229.14474	11.0
235.13441	0.4
237.14935	1.5
249.14973	2.5
267.16013	1.9
289.18100	3.0
307.19217	1.8
325.20108	4.8
343.21295	100.0
528.11304	0.4
626.02667	0.4
732.31091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
73.02960	0.7
76.45441	0.5
76.70844	0.5
86.75689	0.5
86.85439	0.5
101.02435	0.6
101.45736	0.6
111.08141	2.6
119.08672	2.2
127.07636	1.0
137.09735	2.5
159.08795	0.5
171.10268	16.6
185.11859	0.6
194.73018	0.5
197.93672	0.5
201.69249	0.6
247.17294	0.8
253.18266	0.7
265.18140	7.7
273.18594	4.5
283.19153	28.5
289.18069	2.5
290.18558	2.8
291.19672	6.2
309.20663	7.2
325.20245	2.5
326.20612	3.0
327.21802	100.0
798.06598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01373	2.0
71.01396	0.9
78.71819	0.7
89.02463	1.2
104.85188	0.8
117.02265	1.0
125.09715	5.3
125.93233	0.9
142.39093	0.9
143.26038	0.8
144.09999	0.9
152.99503	0.9
153.12794	1.3
162.77965	0.8
165.12798	4.7
179.10779	2.0
181.12337	16.5
187.09778	4.4
197.11856	1.5
199.13416	100.0
204.18538	0.8
253.21777	4.4
275.20267	1.3
277.21707	10.9
293.21259	4.2
309.20877	1.1
363.25467	1.2
381.21661	1.3
381.26462	26.1
773.67853	0.8
821.45673	13.7
828.57758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.6524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99294	0.4
62.88479	0.3
66.28823	0.3
69.46193	0.3
75.55878	0.3
76.73283	0.3
97.84492	0.3
119.53164	0.3
128.08769	0.3
142.11317	0.3
267.26956	100.0
269.28534	23.1
287.29623	2.0
310.29758	0.3
313.27542	13.1
317.64914	0.3
327.63074	0.3
331.28876	0.4
341.27005	12.0
474.68732	0.3
821.52374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
64.97421	0.4
71.01385	0.5
72.23708	0.4
72.99306	2.8
80.84038	0.4
88.80244	0.4
89.02430	0.8
89.58540	0.5
92.23170	0.5
93.14745	0.4
101.02415	0.5
119.03448	0.6
120.01238	100.0
129.61603	0.5
134.33907	0.4
165.63849	0.4
176.70152	0.4
179.03502	3.5
179.05580	0.5
181.05128	0.7
197.04559	13.0
211.65273	0.4
243.41205	0.4
313.08466	0.4
322.28867	0.5
329.08487	0.9
359.09882	6.1
360.10184	0.7
461.13220	2.5
462.14401	63.7
487.25711	0.5
525.56781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
67.30590	0.6
71.01373	1.6
89.02445	3.7
99.15173	0.7
101.02438	1.3
135.06651	2.9
138.08530	0.9
149.02466	3.4
161.20749	0.7
164.04788	17.3
175.00389	1.5
179.07162	3.0
184.87048	0.8
190.02739	28.4
191.05630	1.4
205.05081	83.4
209.04695	1.0
221.08273	2.9
223.06133	28.0
265.07220	7.8
306.07129	0.9
413.10617	0.9
503.17786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35317	1.2
71.01376	1.6
71.89098	1.0
75.59505	1.0
81.97549	1.0
85.18977	1.0
92.22517	1.3
101.02452	1.8
102.23269	1.1
113.02398	1.4
114.54894	1.1
134.03735	8.2
144.04541	2.5
149.06149	1.3
160.01640	19.7
160.24097	1.2
175.04005	85.4
193.01451	6.9
193.05070	11.9
197.09213	1.2
205.04974	1.2
212.49628	1.0
235.06314	2.6
248.07236	1.6
264.06628	8.4
278.04623	1.4
279.05444	5.1
280.06131	7.1
294.07776	6.3
308.05698	82.3
322.07275	10.2
323.08047	10.8
325.52274	1.4
338.10345	33.8
382.09384	24.1
439.16159	100.0
477.77112	1.1
513.08661	1.4
766.89069	1.3
822.25848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.6
67.01888	1.8
69.03442	0.3
71.01374	0.7
76.54741	0.3
80.58921	0.4
85.02935	0.6
87.00867	6.4
88.96582	0.3
93.03447	22.4
99.00874	0.3
111.04525	6.0
113.02461	0.5
117.52898	0.4
126.42926	0.3
129.01947	0.6
134.03767	2.5
139.36472	0.4
149.06105	0.4
155.03502	0.7
169.93109	0.3
173.04530	11.6
175.03987	0.7
190.37794	0.4
191.05624	100.0
193.05080	6.1
301.49182	0.3
306.50787	0.4
316.57413	0.3
358.78604	0.3
363.73492	0.3
367.10361	58.4
489.03766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
66.20997	0.6
71.01380	2.7
73.02921	1.0
81.03451	0.7
83.07388	0.6
95.45135	0.6
99.04523	1.1
101.02444	1.2
113.02440	3.0
143.49171	0.7
145.02945	0.7
147.04486	1.0
149.02441	2.9
152.82315	0.7
163.03987	1.0
164.04797	13.7
175.00374	2.9
179.07149	2.7
190.02739	28.9
205.05075	90.8
208.03703	1.2
209.04573	3.6
223.06152	19.4
223.08253	1.1
344.45053	0.8
438.73392	0.8
460.77881	0.8
470.14618	0.8
485.16714	100.0
597.61493	0.9
800.06824	0.8
822.27899	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.304
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98893	0.7
72.99298	18.7
76.75608	0.4
92.22482	0.6
123.04490	7.1
135.04510	5.1
142.21884	0.5
179.01894	1.0
179.03485	22.8
193.04996	0.5
197.04559	100.0
211.06136	13.1
241.07268	1.8
316.99353	0.5
317.99164	0.5
359.05316	1.2
359.09827	33.4
373.11389	2.1
462.19775	8.5
480.04984	0.6
790.18591	0.6
822.30518	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
63.83684	1.0
65.40305	1.1
70.86723	1.3
72.99303	8.0
81.03471	1.7
83.05006	8.5
85.60828	1.2
93.03459	1.7
111.04503	32.2
115.03988	4.7
118.96188	1.3
119.04997	2.2
127.04006	100.0
127.66460	1.3
129.05573	2.3
129.44121	1.1
137.02451	7.8
142.10295	1.3
145.02980	2.3
146.61011	1.3
153.66023	1.4
155.03506	84.4
163.04028	7.3
171.02997	1.8
178.25787	1.2
199.02509	58.8
217.03534	55.2
225.75160	1.2
226.06425	1.1
235.04616	5.3
331.11066	1.3
363.07330	21.4
381.08301	22.6
439.38928	1.5
459.70236	1.3
465.13574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.1
61.32037	0.5
71.01382	8.9
72.99301	15.5
73.02949	1.4
89.02439	31.9
90.02391	0.6
99.00247	1.3
99.00876	31.2
101.02427	5.4
109.02926	2.3
109.67446	0.6
113.02442	16.1
123.04492	5.8
126.94981	0.6
131.03525	8.3
135.04533	3.4
142.26216	0.7
143.03491	0.9
149.02615	1.1
149.04558	26.2
150.03217	23.1
151.04007	24.7
157.85941	0.8
161.04559	9.6
166.12720	0.6
175.04044	0.8
179.03496	17.2
187.74753	0.5
191.05637	20.7
197.04568	55.2
198.04941	0.6
205.05095	3.5
213.25638	0.7
221.06735	0.8
233.06639	1.3
293.08990	0.8
295.11176	0.7
311.10037	0.7
313.09167	0.8
359.09918	35.0
368.59262	0.6
368.66595	0.6
445.13568	23.3
463.14658	100.0
525.53357	0.6
657.89954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	1.7
67.01888	1.8
67.46138	0.4
69.03469	0.5
71.01370	0.8
85.02962	0.7
85.13107	0.4
87.00861	5.3
92.23067	0.5
93.03452	22.9
111.04526	3.7
129.01944	0.8
134.03734	2.5
147.80937	0.5
149.06046	0.6
173.04541	11.3
175.03940	0.8
191.05629	100.0
192.05977	1.1
193.05052	8.2
280.72717	0.5
367.10373	55.4
368.10641	2.9
474.71680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	1.9
67.01886	2.1
78.56260	0.4
85.02953	1.0
87.00861	4.8
93.03447	21.7
99.00859	0.6
111.04527	5.7
124.34586	0.4
129.02011	0.6
134.03748	2.0
135.47478	0.5
137.58940	0.4
155.03499	0.8
173.04552	11.4
175.04018	0.8
191.05635	100.0
193.05078	7.4
205.05080	2.1
265.63467	0.4
273.48807	0.5
367.10388	56.1
485.16653	0.8
486.17215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	28.3
96.00911	9.5
99.05617	0.8
116.60752	0.5
123.04489	5.9
135.04521	8.9
151.04045	0.6
179.03487	35.0
197.04556	100.0
213.03951	1.0
219.51262	0.6
243.07654	1.0
343.14169	5.4
359.09872	83.1
375.09167	1.9
447.15283	0.8
463.18262	3.2
482.96552	0.6
650.97412	0.6
778.30743	0.6
823.27179	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
60.43865	1.4
68.74987	1.6
68.78690	1.4
71.01373	5.7
72.24948	1.5
89.02446	1.8
96.23766	1.4
97.02948	3.0
101.02425	2.1
101.38945	1.2
104.39160	1.4
105.27209	1.5
109.02968	1.6
113.02446	1.4
115.03983	2.2
139.03993	5.9
149.02402	9.7
150.03200	9.4
163.04021	1.6
164.04793	50.5
165.01910	1.5
165.05627	2.4
175.63776	1.6
178.06364	2.5
179.07132	32.2
190.02719	3.0
191.03500	12.8
194.02223	5.8
198.26540	1.6
205.05038	15.7
206.05870	2.0
208.03769	6.6
209.04605	12.9
222.05283	6.7
223.03986	2.8
223.06111	59.7
237.07695	1.9
346.76840	1.5
348.08496	6.1
349.09329	2.1
363.06738	2.7
363.10910	49.5
463.16150	10.8
583.20367	13.7
707.69708	1.8
707.82471	1.6
823.30322	100.0
831.13367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58560	0.9
59.01381	100.0
68.99562	2.5
71.01382	18.2
73.02942	4.5
85.02940	7.8
88.98775	1.8
89.02451	3.8
101.02448	10.3
112.98536	1.8
113.02456	10.2
119.03507	1.1
134.03764	1.7
143.03488	1.5
149.06071	1.5
159.02965	1.8
161.04559	32.3
221.71227	1.0
297.07761	1.3
315.08731	3.8
316.09158	4.2
317.09302	1.6
331.41302	1.0
361.12900	2.2
362.13425	2.5
369.13586	2.5
383.11420	2.1
403.14008	1.4
531.19049	13.9
605.22559	11.0
704.45953	1.2
750.22247	1.4
780.72186	1.3
817.62561	1.2
823.25702	4.4
823.39630	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00014	1.7
59.01378	7.4
67.46593	1.6
71.01367	3.1
73.02940	2.2
76.84509	1.6
79.98776	1.7
80.05555	1.5
80.54271	1.5
89.02436	15.9
101.02419	9.7
108.30186	1.8
119.03476	3.9
125.02452	3.4
125.51478	2.0
145.71950	2.3
149.33865	1.8
151.12457	1.7
170.51656	1.7
179.05589	3.0
191.05615	24.6
192.04869	1.9
221.06732	2.7
263.51285	1.9
301.21738	39.8
311.22540	2.2
386.21851	1.9
485.14822	3.2
521.12872	10.2
565.09705	2.0
647.25696	2.5
823.35315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01381	14.9
73.02949	10.5
73.60880	0.7
73.94586	0.7
83.01382	1.4
85.02921	3.1
89.02444	15.5
101.02441	16.2
113.02443	9.5
119.03490	7.8
121.09648	0.7
143.03415	1.1
149.04506	1.0
161.04582	6.8
179.05681	0.9
209.00259	0.9
289.16534	8.8
301.56473	1.1
315.18216	1.4
331.17670	36.5
346.52161	1.0
365.33240	0.8
376.85367	0.9
447.22510	6.4
473.06290	0.8
717.60315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01150	0.5
59.01386	9.5
66.33388	0.4
71.01379	7.0
73.02927	0.8
73.03962	0.4
85.02950	0.8
87.00857	1.1
89.02440	11.6
97.02974	0.5
97.06590	5.2
101.02431	7.3
113.02467	3.5
119.03521	3.4
123.08186	0.9
125.02430	2.3
125.09712	47.5
129.29889	0.5
129.31076	0.4
143.03481	0.9
161.04550	1.2
169.08652	2.2
187.09766	36.2
197.92007	0.5
221.06682	0.7
235.08211	1.1
253.09181	0.6
255.23314	37.4
277.21704	1.1
299.25949	4.6
397.13702	1.0
585.23853	0.7
777.58673	0.6
783.63031	0.6
823.47095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.4
71.01375	3.4
89.02451	3.7
101.02459	3.1
115.95009	2.0
124.16854	1.9
125.09718	48.6
156.75771	2.0
185.11588	2.5
187.09750	65.4
221.06779	3.0
243.13849	2.0
255.23405	15.9
372.52762	2.2
585.24622	2.7
823.47192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
60.06115	1.4
61.57148	1.7
82.14249	1.7
83.05036	15.1
108.11423	1.6
141.91745	2.1
163.09924	1.6
173.28056	1.6
176.42578	1.8
195.13933	3.8
197.79207	2.3
207.13837	2.0
223.17032	15.5
223.97693	1.6
243.01208	1.8
249.99939	2.3
273.18607	2.7
277.21832	4.2
291.19678	100.0
309.20724	23.6
416.66556	2.1
508.63089	2.0
688.68188	1.9
705.23901	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
62.26300	1.7
64.28065	1.4
67.13031	1.4
70.59322	1.3
70.85239	1.5
71.01380	2.3
77.33914	1.5
79.15734	1.5
82.08007	1.6
85.02950	11.8
89.02432	3.0
101.02441	6.2
113.02415	2.0
116.17776	1.5
119.03544	2.4
124.65527	1.6
137.09613	1.6
171.10265	16.3
183.13907	17.2
201.11467	2.2
211.13445	8.8
223.17006	2.2
229.14655	1.8
235.08177	8.3
251.16696	3.8
253.09334	26.5
277.21753	100.0
291.19553	7.7
295.22784	3.2
309.20755	11.8
318.48627	1.9
327.21823	56.3
513.30786	8.3
545.29883	18.3
547.10358	1.9
563.30798	2.9
800.43445	1.9
823.52753	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98833	2.0
65.31145	2.1
70.09011	1.8
76.50808	2.3
95.05003	2.0
107.70911	2.0
111.08131	3.4
125.09692	3.5
137.09708	3.4
155.10773	11.4
155.73436	2.1
171.10255	23.0
173.16971	2.0
185.11884	19.4
195.13914	2.7
217.02397	2.5
247.20616	3.8
277.21725	5.1
291.19687	100.0
309.20752	62.6
325.18314	2.5
823.47076	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42130	2.2
73.99719	2.4
83.05027	5.4
83.62535	2.3
87.76255	2.3
92.22535	2.5
93.03450	56.1
104.32359	3.4
111.04504	39.0
120.58250	2.4
123.39828	2.8
137.02437	95.7
155.03511	56.9
177.71481	2.5
255.23242	32.1
260.96817	3.4
399.93832	2.4
411.27563	100.0
433.37143	3.1
565.38550	3.3
728.34613	3.0
793.03040	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
80.38451	0.3
85.02948	3.1
87.00850	0.4
93.03427	0.6
96.99151	0.3
102.54263	0.3
120.20075	0.3
120.85006	0.3
121.95025	0.3
127.03998	1.1
171.02965	0.3
173.04501	0.5
191.05630	100.0
268.03903	0.4
283.06039	1.2
364.48569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99279	0.2
59.01375	0.4
60.41932	0.2
66.50945	0.3
69.07306	0.2
71.01384	0.3
77.02811	0.3
83.95768	0.2
85.02944	3.4
87.00883	0.4
92.23169	0.4
93.03436	0.4
101.02441	0.3
109.02914	0.3
111.04494	0.4
127.04006	1.1
132.84122	0.2
144.96169	1.1
146.95883	6.4
155.23569	0.2
165.05528	0.3
173.04518	0.5
188.95177	1.1
189.95523	0.3
190.94870	6.6
191.05626	100.0
208.75728	0.2
238.03932	0.3
268.13168	0.2
283.06125	1.9
825.38794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
62.05553	0.2
62.05954	0.2
62.33796	0.2
64.08598	0.3
71.01395	0.4
85.02946	0.5
89.02446	0.6
93.03430	0.4
101.02416	0.4
119.05053	0.3
127.03942	0.3
129.87648	0.2
135.04518	1.9
137.02423	0.4
161.02377	2.1
163.04019	1.2
174.35762	0.3
179.03450	1.2
191.05623	100.0
206.47029	0.3
218.37558	0.2
310.59503	0.3
315.10855	2.1
329.07199	0.3
337.09265	0.5
342.12531	0.3
353.08823	28.8
381.01779	0.3
386.26605	0.3
453.14209	0.4
471.15704	2.2
504.27753	0.3
564.05115	0.3
622.89752	0.3
718.81726	0.3
825.24609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05763	0.3
85.02940	2.4
87.00876	0.4
93.03474	0.4
127.03956	0.6
130.40440	0.4
140.94588	0.3
150.03302	0.4
158.84799	0.4
165.05629	0.7
176.65897	0.4
181.05101	0.4
184.97308	0.3
191.05627	100.0
274.94916	0.4
283.06082	0.4
310.79196	0.3
334.22614	0.4
460.90381	0.4
629.22540	1.4
731.07745	0.4
791.40802	0.4
830.89160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.32268	0.3
70.03220	0.3
72.00544	0.3
80.59461	0.3
85.02943	2.3
87.00889	0.6
93.03439	0.5
108.63397	0.3
111.04456	0.4
127.04005	1.3
152.71677	0.3
173.04460	0.6
191.05630	100.0
240.09633	0.3
283.19168	1.9
327.21805	6.1
349.90573	0.4
633.62549	0.3
776.37750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
59.79362	0.4
60.02835	0.4
73.40255	0.4
85.02927	1.4
96.03695	0.4
111.04478	0.5
126.69387	0.5
141.44740	0.5
150.03181	0.9
165.05580	3.2
181.05179	0.6
191.05640	29.8
192.63948	0.4
253.03769	0.5
259.66571	0.5
268.03790	17.9
283.06149	100.0
325.07095	0.5
373.12878	0.7
629.22687	2.8
705.20355	7.9
723.21442	11.4
765.22467	12.8
825.29663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11348	0.6
59.01385	10.0
59.51653	0.8
71.01379	8.5
71.05017	0.9
72.99306	6.3
81.03464	6.3
83.05019	1.2
84.02154	1.3
87.00873	1.2
89.02432	7.8
93.41088	0.7
97.02986	1.1
99.04513	18.1
99.23531	0.8
99.82773	0.8
101.02456	8.8
113.02427	3.9
113.30370	0.8
115.04006	1.8
119.03494	3.0
121.06550	1.2
123.04510	0.9
123.08138	7.1
126.24638	0.7
131.03487	1.3
132.49255	0.8
135.04486	1.4
141.09213	15.7
143.03503	4.3
145.05080	1.6
153.05482	2.7
153.09302	1.3
157.08331	0.9
179.03458	5.5
182.02161	6.9
197.04568	43.0
255.69655	0.8
269.37741	0.9
359.09918	16.0
386.91647	0.8
465.19800	100.0
508.07996	0.9
769.12689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
71.01379	0.7
72.99281	1.2
88.98814	0.9
89.02444	0.9
92.22528	1.1
99.00891	0.8
104.91959	0.5
113.02451	0.8
147.04486	0.6
149.02440	14.2
149.06125	0.8
163.03975	1.2
164.04794	89.2
166.02708	5.3
177.05582	3.5
178.06367	3.7
179.07141	50.2
180.04268	1.3
181.05081	1.0
183.06621	3.7
190.02725	2.9
191.05661	0.7
195.06621	1.1
205.05122	5.5
208.03754	2.7
211.44255	0.7
222.05367	7.5
223.06116	8.8
237.07674	3.1
289.29639	0.6
305.87674	0.7
321.18198	0.6
329.10355	1.3
361.15012	1.4
419.17160	4.7
463.16159	100.0
469.17148	1.4
585.22192	6.8
609.94788	0.7
825.34247	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.8
62.77948	0.5
89.02438	0.5
103.43878	0.7
106.30363	0.6
116.24400	0.6
149.02432	12.6
152.01169	3.4
163.03987	1.4
164.04793	65.9
166.02708	2.2
169.05052	0.9
177.05594	1.1
178.06406	1.3
179.07147	40.8
180.04225	2.6
183.06624	0.6
190.02728	1.0
190.71710	0.6
193.01509	1.3
195.06659	2.3
204.28770	0.6
205.05083	3.6
208.03792	55.9
222.05345	6.4
223.06133	77.6
237.07710	3.5
329.10400	0.6
384.06921	0.7
463.16193	100.0
561.30493	0.6
585.21759	9.8
741.74481	0.6
825.31915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35556	6.4
81.56942	7.5
82.52328	6.2
83.17095	6.9
88.21189	6.9
91.41763	7.0
125.47802	6.7
394.87680	8.0
460.38635	8.0
671.93939	8.5
825.49268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02960	0.3
78.95901	30.3
86.16908	0.3
96.00882	0.5
96.96963	2.8
114.01925	0.5
124.87888	0.3
150.98013	0.7
152.99588	100.0
171.00682	3.0
254.86972	0.3
279.23257	2.6
312.47284	0.3
373.24936	0.7
377.18677	0.3
391.26254	1.5
433.23645	54.0
592.73309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.4
61.98837	100.0
71.01395	2.2
94.02656	0.8
99.91462	0.6
101.02401	0.9
112.26007	0.6
114.93408	0.9
115.03989	2.5
151.83217	0.6
161.04553	1.2
201.03342	0.6
254.13394	0.8
298.75931	0.6
742.42377	0.8
826.36005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49463	0.2
72.00900	1.5
73.02944	0.9
74.66675	0.2
85.11720	0.2
92.23109	0.2
101.02444	9.8
108.75852	0.3
112.03980	0.2
144.08179	1.3
147.04515	8.0
149.06044	1.5
160.89519	0.2
161.04517	0.3
164.07173	100.0
186.09248	0.3
188.51570	0.2
197.04549	0.4
206.08253	3.0
236.09299	16.6
248.09381	0.5
262.87625	0.2
266.10504	0.4
278.10349	1.4
309.63257	0.2
326.12479	20.8
455.24115	0.2
597.06683	0.3
779.01373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49750	0.3
65.68446	0.3
65.70552	0.3
111.19849	0.4
115.07558	0.4
130.60924	0.5
225.16014	0.7
254.33229	0.4
646.83185	0.4
773.77472	0.5
790.57935	0.6
826.55939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
60.57864	0.2
71.01371	0.4
71.31059	0.2
72.99292	2.5
73.02947	3.5
80.27402	0.3
89.02456	0.5
92.23110	0.4
95.18910	0.3
99.00867	0.5
99.92596	3.4
101.02464	0.4
113.83078	0.3
115.04005	0.5
116.92851	100.0
117.01929	9.0
117.05521	0.3
123.04471	0.4
134.03741	1.6
135.04558	0.6
135.38603	0.3
137.02480	1.1
151.04024	0.3
172.77832	0.4
178.02753	0.5
179.03487	0.7
182.05904	0.5
197.04539	2.8
197.08228	0.6
205.05013	0.5
214.04329	0.3
325.57147	0.3
423.14517	0.4
431.13409	0.5
431.64423	0.3
450.79483	0.3
767.26422	0.4
827.25354	2.2
827.40979	0.5
829.97424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38534	0.7
66.33685	0.6
67.01900	0.6
71.01393	0.6
78.88812	0.6
81.93805	0.6
93.03445	8.6
93.31347	0.6
93.40051	0.7
96.92466	0.6
105.48108	0.6
105.57055	0.6
111.04522	4.5
119.05020	29.8
136.69228	0.5
137.02443	3.1
155.03496	6.1
163.04012	100.0
163.26651	0.7
173.04547	96.7
191.05615	13.4
298.21780	0.6
337.09341	89.4
396.54825	0.7
404.59229	0.8
468.24371	0.7
481.46652	0.7
659.73907	0.8
699.78461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.99299	0.5
67.01900	0.4
71.01369	0.5
85.02952	0.7
87.00870	2.4
90.39217	0.4
91.15753	0.4
93.03452	13.3
96.19411	0.3
99.00874	0.4
111.04510	3.9
119.05019	30.2
126.12254	0.4
127.03989	0.4
129.01945	1.5
134.03726	0.7
145.03461	0.4
147.03026	0.4
155.03487	3.6
161.02452	1.7
163.04015	100.0
173.04559	11.1
175.04047	0.7
179.03430	0.8
185.70772	0.4
191.05630	56.0
193.05089	4.5
232.99104	0.4
252.43187	0.4
337.09344	46.6
367.10385	31.8
367.15121	0.8
459.15195	0.8
517.34613	0.4
739.20325	0.4
827.25610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.3
71.01360	1.6
73.02933	1.0
85.02943	0.7
101.02422	0.6
107.05027	100.0
113.02446	81.3
113.03068	1.1
150.22139	0.4
161.04666	0.5
169.73206	0.4
203.05608	1.6
219.09103	0.4
311.11395	18.8
364.49124	0.5
535.45258	0.5
548.96588	0.5
654.04785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
59.56583	0.3
61.80780	0.3
63.43604	0.4
71.01360	0.4
85.02940	0.7
87.08804	0.4
93.03439	0.5
102.27200	0.4
111.04528	0.4
127.04127	0.4
135.04491	0.9
161.02399	2.4
173.04529	5.6
179.03488	3.7
191.05634	100.0
192.05978	0.5
205.05063	2.6
353.08829	18.1
361.16418	0.5
451.12515	17.9
546.00269	0.4
578.69843	0.5
629.84619	0.5
827.24139	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63425	2.0
65.31257	2.0
69.29503	2.0
92.23091	3.7
134.03734	65.3
135.04492	3.4
149.02467	3.0
149.06039	18.9
150.03238	48.3
151.03943	2.7
160.01665	36.5
161.02431	11.8
164.04921	2.7
165.05562	64.0
169.47607	2.1
175.03998	97.3
178.02785	10.3
179.03551	3.8
179.92618	1.9
180.04333	3.3
181.05118	3.6
184.66832	2.1
193.05072	67.2
195.06625	10.9
205.05028	3.0
220.07420	2.6
221.08156	4.2
254.89902	2.4
327.21820	3.5
331.08267	2.7
400.79520	2.7
437.14337	4.7
447.99994	3.1
454.25381	2.7
455.15982	2.8
480.58789	2.4
506.76831	2.9
631.20428	71.6
779.26038	3.0
827.28058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93266	1.5
59.01381	3.0
61.98837	3.1
70.05616	1.7
71.01388	3.0
72.18945	1.7
72.75758	1.6
72.99303	49.5
74.54087	1.6
77.75119	2.1
89.02443	12.6
96.64873	2.2
101.02429	7.2
113.02419	3.1
116.92877	2.9
121.02965	3.6
122.03716	2.1
123.04499	11.1
128.88371	2.0
133.02936	2.8
134.03740	33.3
135.04544	19.2
137.02443	26.4
139.04025	8.6
143.12054	2.3
149.02464	19.5
150.02756	4.0
151.04044	7.2
164.04805	100.0
165.05128	40.6
166.02727	4.1
166.05305	10.3
168.03296	2.5
169.84094	1.8
177.05609	2.1
178.02748	25.5
179.03564	23.1
179.07162	53.3
180.07527	21.4
180.32970	1.8
181.05002	3.7
181.07732	6.5
182.05881	11.9
183.06615	2.3
184.06949	2.1
185.66263	2.0
195.06638	3.7
197.04575	47.9
197.08192	12.7
205.05055	3.6
206.05249	2.2
208.03708	2.9
212.85004	2.0
222.05244	8.5
223.06044	10.8
224.06355	2.1
248.81575	1.9
306.15491	2.5
361.15457	2.9
431.13403	3.7
463.16220	42.1
464.16479	58.4
465.16748	67.5
587.22461	7.1
827.26459	46.6
827.41498	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.8
64.33948	1.1
70.80398	1.0
71.01366	12.2
73.02939	11.8
73.20808	1.2
80.25291	1.0
80.51051	1.1
83.01383	1.9
85.02962	1.1
89.02434	17.6
92.22510	1.5
96.08132	1.1
101.02435	19.3
113.02455	10.1
113.77870	1.2
119.03482	5.4
124.50107	1.1
134.03793	1.6
135.04485	1.8
149.02422	8.0
150.03217	24.6
153.74829	1.2
161.02408	2.1
161.04549	6.5
164.04768	6.3
165.05554	40.6
171.61768	1.1
175.03979	5.7
179.05647	1.4
180.04288	2.4
191.05608	7.8
193.05089	4.4
195.06683	13.9
211.07565	2.0
213.75569	1.2
221.06526	2.4
239.07095	15.8
240.04262	4.6
241.05026	16.2
253.08708	1.8
255.06654	92.6
256.07410	31.3
257.08167	1.1
258.78241	1.3
267.06699	2.5
270.09003	79.8
271.09796	30.0
361.10858	1.6
373.10690	2.1
375.12436	10.8
387.98584	1.2
389.10367	2.8
404.12723	18.5
413.21893	33.2
419.15027	77.9
467.17157	35.2
631.20508	4.6
779.25964	9.9
827.27820	100.0
827.55133	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.2
92.22502	1.2
96.96014	1.3
117.03443	1.6
122.03743	1.1
123.04476	1.2
132.02116	1.0
133.02950	3.1
134.03738	62.9
135.04495	5.5
136.01617	1.1
148.05307	1.0
149.02411	3.4
149.06091	14.4
150.03223	27.3
151.03979	0.9
160.01645	28.3
161.02451	11.6
164.04787	1.9
165.04245	1.7
165.05565	43.6
165.06960	1.7
175.04004	82.3
178.02753	6.1
179.03490	1.7
180.04237	5.1
181.04982	1.4
191.07173	1.0
193.05063	62.5
195.06654	7.8
206.05905	1.2
207.06549	1.2
220.07451	3.1
221.08127	3.4
282.09042	1.5
437.14587	6.2
455.15491	1.4
522.41357	0.9
583.21313	1.3
615.18744	1.1
630.21942	1.0
631.20435	46.7
633.22394	1.3
685.21533	1.8
779.26343	7.2
809.26587	5.0
827.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.2
59.01380	22.4
63.40958	0.6
71.01376	14.7
83.01394	0.8
85.02963	1.3
86.52512	0.6
89.01883	0.8
89.02438	24.0
91.65141	0.6
101.02441	16.9
113.02460	9.0
118.19694	0.6
119.03500	14.8
120.84111	0.6
123.04514	1.2
135.04523	38.0
143.03476	0.8
153.05582	8.2
173.04506	1.1
179.03473	0.9
191.05740	1.3
206.18491	0.6
315.10904	100.0
413.14526	1.2
510.76266	0.9
525.89764	0.7
707.85260	0.7
717.89240	0.8
825.26154	0.8
827.27942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29620	0.2
60.80724	0.2
68.26488	0.2
68.88412	0.2
86.29603	0.2
87.22946	0.2
89.36431	0.2
103.70921	0.2
111.00853	0.3
115.03979	0.5
115.91043	0.2
123.04518	23.2
153.05571	100.0
221.24290	0.2
267.29288	0.3
305.25372	0.2
315.10895	21.3
356.55606	0.2
413.14578	13.6
501.12323	0.2
504.08221	0.2
584.63251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98840	2.8
71.01382	75.7
72.99313	4.3
73.02943	17.9
81.03455	2.5
83.01407	5.0
83.35641	2.2
85.02941	21.5
87.00877	10.0
89.02440	62.1
92.22540	4.2
95.01399	10.0
97.02943	11.7
99.00889	7.9
101.02438	61.6
109.33066	2.4
111.27653	1.9
113.02443	39.3
116.92862	11.1
119.03495	34.5
123.04543	2.5
125.02459	29.0
131.03499	4.1
139.04050	2.3
143.03513	9.3
144.39230	2.1
145.88535	2.1
149.04698	2.1
159.02937	2.6
160.01659	4.5
161.04584	19.9
164.04773	2.8
165.21541	2.3
175.03960	23.0
179.03514	2.6
179.05602	22.9
181.62726	2.1
193.05138	4.4
193.42592	2.5
200.36633	2.3
205.05096	3.0
208.52039	2.4
216.59621	2.3
221.06697	13.6
263.07724	9.6
323.09891	75.1
468.20187	2.2
707.25598	62.3
739.26410	9.8
827.40082	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87702	1.3
78.93455	1.3
82.28629	1.3
83.25970	1.5
146.03735	52.6
149.02441	7.2
149.05946	2.1
150.03212	28.9
161.06108	21.7
162.03227	1.5
163.04047	2.1
164.04793	52.8
165.01930	27.1
165.05566	79.1
166.02747	3.5
179.03568	13.2
179.07133	70.9
180.04285	61.9
181.05063	7.7
194.05862	10.4
195.03075	2.6
195.06636	100.0
205.05008	2.1
210.05353	8.0
225.07759	15.7
297.07599	2.3
299.09280	1.6
300.09906	2.7
327.08786	21.5
342.11087	23.3
343.12027	12.0
357.13489	22.2
358.10532	2.3
373.12961	27.3
403.13995	6.1
405.15726	15.3
421.15103	93.1
451.15884	13.8
599.21606	24.2
631.24042	5.7
647.23663	30.8
672.06146	2.1
693.39008	1.8
779.30072	2.1
827.31281	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28853	2.0
67.96996	1.9
72.75587	2.1
93.61942	2.3
119.28333	2.2
131.54611	2.4
146.03767	37.2
148.36916	1.9
150.03215	47.5
159.91443	2.5
161.02498	4.1
161.06113	10.8
163.04030	2.7
164.04787	33.5
165.01913	19.5
165.05551	90.1
169.05302	2.4
176.04764	8.7
179.03510	12.1
179.07137	47.8
180.04279	47.7
181.05052	5.3
191.05634	52.3
192.24956	2.6
194.05835	32.7
195.06641	100.0
205.05096	3.6
209.08162	16.7
210.05373	5.4
225.07742	14.7
327.08743	10.4
342.11139	14.9
343.11758	9.8
357.13452	17.5
373.12976	11.1
375.14780	3.6
391.13992	5.2
403.14453	3.2
405.15585	9.8
421.15125	43.1
451.15933	13.6
569.20325	10.6
599.21332	18.2
617.22412	12.9
631.24078	8.2
647.23560	16.8
827.30573	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30103	1.7
90.23454	2.0
96.96022	2.0
122.03725	2.4
149.02441	14.1
150.03207	64.4
152.04807	3.6
153.87120	1.8
161.06104	2.2
164.04778	17.2
165.05566	100.0
165.06952	3.3
166.02657	3.1
179.03548	3.1
179.07098	2.4
180.04269	15.2
181.05058	6.9
191.07156	2.3
194.05907	13.5
195.06650	36.7
209.08211	17.1
210.05351	4.6
220.07442	2.7
221.08212	4.0
222.05357	11.0
225.07747	2.6
237.07712	4.6
249.07704	2.2
282.09171	2.4
300.09949	2.6
357.13608	4.2
361.22308	2.2
373.12894	2.1
385.12903	10.5
421.15228	4.0
583.22284	2.6
630.23492	2.3
631.24457	7.6
779.28845	9.0
809.30017	2.6
827.31293	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.5
59.39393	1.6
61.98823	4.5
62.72335	1.6
64.35516	1.7
71.01395	16.0
72.34387	1.6
85.02970	1.9
89.02434	26.9
101.02444	21.5
113.02459	10.9
116.92843	28.3
119.03507	4.1
125.09976	2.0
135.04469	2.4
140.06343	2.0
190.02724	4.3
190.10020	17.3
197.04507	2.1
203.10797	10.0
205.05083	13.9
273.18643	7.7
285.18777	10.1
289.55661	2.0
306.70181	1.6
313.07349	2.0
319.50708	1.9
343.22937	7.6
354.10794	2.2
359.11603	3.0
361.23944	16.3
454.22324	12.4
522.28497	4.4
523.29285	18.0
685.34839	3.0
729.34015	7.3
739.26666	7.5
822.44299	2.2
827.37543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.0
61.98829	16.6
65.28259	0.8
67.49110	0.7
71.01376	11.3
72.59408	0.7
72.99295	1.5
73.02920	1.0
80.92233	0.7
87.00887	1.6
89.02440	13.4
98.56873	0.8
99.92576	1.5
101.02426	12.3
112.86465	0.9
113.02454	4.3
115.03961	0.9
116.92847	32.8
117.01926	0.9
119.03481	3.2
159.08040	0.8
161.04529	0.9
174.06830	0.8
179.03540	1.0
190.09943	3.5
191.05534	0.9
202.06396	1.2
203.07158	2.9
203.10880	1.0
205.05093	3.0
217.08635	1.5
218.09375	1.0
226.13397	0.9
229.08795	0.9
271.13339	5.2
273.18643	4.2
297.14902	1.3
343.23007	1.1
355.19174	0.9
356.20108	1.6
361.23746	3.8
443.28043	1.1
451.95789	0.9
454.22089	3.1
521.24365	1.9
523.28894	1.5
535.25482	5.7
536.25970	5.6
605.33472	1.5
729.33862	1.0
760.69574	1.1
827.36963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.28985	1.1
71.01371	17.7
73.02941	20.1
83.01379	2.3
85.02965	2.6
89.02440	19.0
95.01384	1.6
101.02443	24.5
107.73142	1.1
113.02459	15.8
119.03497	4.3
126.40073	1.1
138.76959	1.2
143.03531	1.8
145.02972	1.9
149.02483	2.4
149.04613	4.1
150.03249	9.6
161.02344	1.1
161.04570	8.9
164.04756	1.3
165.05568	15.2
173.04620	1.7
179.05635	1.6
180.04221	1.2
191.05647	16.4
195.06648	7.0
218.64474	1.4
221.06766	8.2
239.07133	6.1
240.04036	1.2
241.05014	6.5
255.06680	33.7
256.07483	9.8
270.09027	33.3
271.09799	10.5
346.44189	1.3
361.10666	1.3
375.12265	4.6
404.12622	6.1
413.21844	30.5
419.15103	18.7
467.17365	14.8
602.75952	1.6
779.26721	1.8
827.27972	34.9
827.55670	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
61.48242	0.6
64.16508	0.5
66.87547	0.5
71.01384	1.5
77.32964	0.6
85.02974	3.1
89.02452	1.0
97.06592	3.6
98.17229	0.7
101.02441	0.6
112.80357	0.7
127.11307	0.6
127.63949	0.7
137.09749	0.8
141.45465	0.7
171.10289	8.4
183.13876	2.6
193.12378	0.8
211.13425	21.8
221.11861	2.9
229.14447	18.3
239.12906	3.5
262.60229	0.8
291.19629	3.8
309.20676	0.9
327.21811	100.0
499.29172	6.4
564.11871	0.8
859.30463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48083	0.2
64.07005	0.2
67.74399	0.2
69.69672	0.2
70.34545	0.2
79.95740	1.7
96.96001	100.0
109.36686	0.2
122.31940	0.2
196.57289	0.2
197.71753	0.2
338.16150	0.2
627.15198	0.2
631.63025	0.2
703.69647	0.2
829.19452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.13931	0.3
68.56811	0.4
71.01350	1.6
79.72842	0.4
79.73335	0.4
85.02939	2.0
89.02438	1.7
93.03443	0.7
101.02458	1.8
113.02451	0.8
119.03471	0.8
133.02945	1.8
135.04539	7.0
151.06158	0.7
161.02446	59.7
163.04027	2.8
165.05547	0.6
173.04573	6.2
177.05704	0.5
179.03506	18.5
191.05630	100.0
192.05989	0.5
196.42570	0.5
221.04527	1.0
247.69530	0.4
251.05730	0.6
281.06708	2.9
337.09366	1.6
353.08813	31.9
441.78857	0.5
475.14615	63.8
487.16058	0.8
808.48743	0.5
817.34216	0.6
829.23975	0.9
851.06445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
81.59984	2.2
82.38539	2.0
83.98781	2.4
97.55131	2.7
99.00845	4.0
115.47964	2.6
119.57413	2.2
130.54721	2.3
174.03215	3.3
191.07153	4.2
202.18932	2.2
235.06114	3.6
243.25986	2.6
262.06216	2.6
264.07864	5.4
265.08646	4.1
267.06668	12.0
279.06656	13.2
279.10281	21.0
282.08997	31.4
294.05527	4.2
294.09027	15.9
297.11374	15.8
307.06268	3.1
308.06937	4.4
309.07739	10.2
320.07214	2.8
321.07751	2.8
322.08450	15.7
323.05655	19.1
323.09174	8.5
326.07858	2.8
337.07019	3.1
338.08066	57.8
341.10211	24.5
353.10318	61.9
739.26099	14.2
751.25977	41.4
769.27112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
60.99300	0.5
67.01888	1.5
69.03454	0.5
70.77409	0.2
71.01388	1.4
73.02904	0.2
85.02969	0.8
87.00864	4.8
89.02441	0.4
93.03452	20.6
99.04510	0.6
101.02419	0.3
111.04520	4.8
113.02441	0.5
129.01912	0.4
134.03697	2.4
149.06133	0.5
155.03586	0.9
172.97891	0.3
173.04558	10.8
175.03963	1.0
177.96227	0.2
187.13904	0.2
191.05632	100.0
193.05052	7.9
246.49432	0.2
267.07220	1.3
298.61786	0.2
327.73901	0.3
367.10376	62.2
443.12088	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
60.99300	0.5
67.01888	1.5
69.03454	0.5
70.77409	0.2
71.01388	1.4
73.02904	0.2
85.02969	0.8
87.00864	4.8
89.02441	0.4
93.03452	20.6
99.04510	0.6
101.02419	0.3
111.04520	4.8
113.02441	0.5
129.01912	0.4
134.03697	2.4
149.06133	0.5
155.03586	0.9
172.97891	0.3
173.04558	10.8
175.03963	1.0
177.96227	0.2
187.13904	0.2
191.05632	100.0
193.05052	7.9
246.49432	0.2
267.07220	1.3
298.61786	0.2
327.73901	0.3
367.10376	62.2
443.12088	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32505	0.8
59.01379	14.5
71.01380	8.1
72.99301	1.9
73.02931	1.5
75.00838	1.0
77.98219	0.8
83.38496	0.7
85.02964	1.0
87.00889	0.8
88.98775	1.7
89.02429	8.0
96.87949	1.0
99.00902	1.3
101.02448	7.1
105.21376	0.8
113.02436	6.4
116.92851	20.2
117.92829	8.0
118.92654	3.8
118.99821	1.0
119.03491	4.2
123.04440	1.0
135.04506	1.2
144.75037	0.9
146.14050	0.8
149.02397	1.1
151.61073	0.9
163.03949	3.5
164.04810	7.6
177.05611	1.0
179.07062	1.3
179.14363	0.8
183.06560	3.6
190.02702	16.1
196.56787	0.9
197.04613	1.2
205.05067	68.1
207.02972	1.9
222.05312	1.9
223.06104	11.4
263.11224	1.1
469.17151	100.0
695.26099	1.8
738.59662	1.0
829.39496	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.2
71.01382	6.0
72.99308	6.8
73.02972	0.4
85.02950	1.2
89.02448	6.7
92.46345	0.3
101.02432	5.3
101.66953	0.3
107.05062	0.3
107.42553	0.3
108.00271	0.3
113.02444	2.6
115.00367	1.4
119.03507	2.3
123.04517	2.0
125.09715	0.7
133.01465	3.3
134.03738	0.7
135.04514	3.1
149.02438	1.7
149.06107	0.5
151.11415	0.4
153.01971	0.4
161.04616	1.0
163.04024	2.9
164.04779	6.7
166.02693	1.7
169.08725	1.4
172.54671	0.3
177.05577	1.4
178.06383	2.0
179.03525	6.7
179.07161	1.8
180.04335	0.5
181.05116	0.7
182.12164	0.3
183.06613	1.6
187.09727	1.2
190.01025	0.7
190.02733	18.7
193.05069	0.7
195.06650	0.7
197.04565	9.4
205.05075	72.5
207.03030	2.9
207.06796	0.5
208.03703	0.7
218.36038	0.3
222.05412	3.0
223.06129	12.9
245.11896	0.4
263.11340	0.7
296.87994	0.3
307.11847	0.4
331.83844	0.3
381.42535	0.4
454.14670	0.4
469.17203	100.0
505.17264	0.4
522.54059	0.3
523.18335	1.4
676.18683	0.4
695.25793	2.8
769.29730	2.8
829.35114	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
64.76187	0.6
68.67686	0.6
71.01367	6.9
72.99319	5.3
77.21544	0.6
85.02972	0.9
87.00825	0.8
89.02431	8.0
96.38773	0.7
101.01894	0.8
101.02445	7.6
113.02444	3.5
115.76923	0.6
119.03501	3.9
123.04498	0.8
135.04532	3.5
149.02518	1.0
152.01117	0.8
163.03972	5.3
164.04817	3.8
165.05536	1.1
166.02684	3.3
177.05525	1.0
178.06345	0.9
179.03517	4.1
179.07124	1.2
183.06630	2.9
190.02756	6.1
191.05746	0.7
195.06653	1.4
197.04573	8.7
205.05077	21.6
207.02995	6.9
222.05322	2.8
223.06105	3.6
238.39288	0.8
245.11717	0.9
274.08478	3.1
289.10904	8.6
293.10352	2.9
307.12155	0.8
321.09949	1.2
439.12567	0.8
454.14804	4.4
469.17203	100.0
741.23737	0.8
769.29321	1.4
829.36475	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00283	0.6
59.01384	10.2
64.35012	0.7
71.01393	3.5
72.99299	1.0
79.54325	0.7
80.44418	0.8
81.03520	0.7
85.02946	1.0
87.00888	1.0
89.02465	1.2
89.84152	0.7
101.02435	4.0
107.40833	0.8
110.62303	0.8
111.00916	0.8
113.02414	1.1
118.00733	0.7
137.02425	0.8
149.02386	1.2
164.04802	9.2
175.00294	0.9
179.03487	1.1
179.07166	3.2
180.04260	1.1
190.02734	25.6
191.05635	1.0
195.06660	3.7
197.04419	2.8
197.08261	0.9
205.05074	96.4
208.03722	5.4
209.04576	1.6
223.06145	22.6
263.11432	3.3
454.14523	1.5
462.25473	0.9
469.17203	100.0
487.77124	0.8
505.17374	1.7
523.18140	5.1
695.25763	1.3
789.21594	0.8
829.37805	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
60.93981	0.4
66.77333	0.5
70.19263	0.4
71.01373	2.1
72.07093	0.4
72.99304	53.5
85.00330	0.4
87.00811	0.4
89.02434	2.3
90.93829	0.5
101.02427	2.2
109.02931	0.6
110.82162	0.5
110.88346	0.4
113.02482	0.5
123.04513	15.5
128.27606	0.5
135.04529	24.0
151.03995	3.0
151.11276	2.3
163.04027	0.5
164.04805	0.9
165.05615	0.6
178.02780	0.4
179.03508	60.7
190.02713	2.7
193.55817	0.4
197.04572	84.9
205.05107	10.7
208.03763	0.5
223.06107	2.0
254.97258	0.5
263.11395	2.7
343.21381	0.5
359.09930	1.0
365.74899	0.5
365.83987	0.6
451.71350	0.5
469.17218	7.0
523.18652	0.7
769.28967	0.6
829.35150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.2
68.99563	3.3
71.01390	8.5
72.20279	1.5
73.09171	1.6
89.02439	11.5
93.15735	1.6
93.53696	1.6
98.40352	1.7
99.08168	2.5
101.02434	6.5
112.98526	7.4
113.02423	2.9
119.03493	10.6
120.62016	1.7
145.08699	39.6
175.64168	1.9
205.08644	2.2
208.07401	2.0
249.80138	2.0
307.14014	100.0
389.16101	9.7
419.17307	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03423	1.1
71.01379	29.1
73.02945	63.8
73.03358	2.1
81.96663	0.8
83.01380	12.5
84.29060	0.8
85.02951	6.0
86.90590	0.8
89.02441	14.7
92.22410	0.9
101.02441	57.8
113.02442	23.1
118.30932	0.9
119.03505	9.1
125.02428	1.5
125.09706	3.7
131.03497	4.0
143.03572	2.0
145.03000	3.8
149.04532	9.8
155.03462	1.2
159.10292	1.2
161.02403	1.2
161.04556	24.9
165.05547	1.0
187.09740	4.7
193.04985	1.0
203.05711	1.8
221.06657	18.2
255.06624	1.9
256.07086	4.3
270.09033	3.3
271.09647	1.7
284.95581	1.1
321.15576	4.8
371.20749	6.4
413.21829	18.5
774.59650	1.3
829.28809	6.0
829.56262	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	38.4
67.24820	2.1
71.01374	30.4
73.02937	4.0
74.81013	1.9
85.02948	2.5
87.00864	13.9
89.02432	55.4
95.01381	2.5
97.02968	2.4
101.02438	34.4
110.77345	2.4
113.02459	22.9
119.03465	10.4
125.02451	13.0
131.03398	6.7
143.03508	3.4
161.04591	10.1
179.05583	3.8
192.60670	2.4
221.06653	9.4
235.08170	2.4
269.24854	37.2
369.30276	2.3
397.13312	3.3
559.10883	4.2
559.18860	100.0
577.19977	26.0
688.80029	3.0
748.08655	2.3
815.57233	2.3
829.44360	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33548	0.2
59.37595	0.2
61.69057	0.2
66.00648	0.2
67.92693	0.2
75.80937	0.2
78.95900	27.2
96.96944	3.0
120.59812	0.3
150.98018	1.0
152.99586	100.0
171.00615	3.3
180.82362	0.3
195.03773	0.3
241.21758	1.3
279.23315	1.5
395.22101	24.0
399.55856	0.3
433.23660	31.2
475.18802	0.4
829.42242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52567	0.3
78.95899	30.1
79.61579	0.3
84.93718	0.3
96.96968	3.0
114.01948	0.4
141.41896	0.3
145.64241	0.3
150.97972	0.7
152.99583	100.0
156.89259	0.3
171.00661	2.3
238.15852	0.3
241.88580	0.4
281.24802	3.1
375.26761	0.8
393.27716	0.8
435.25204	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50764	0.6
75.89680	0.5
77.38892	0.5
90.87329	0.6
119.05000	0.6
121.39103	0.5
123.04465	2.5
135.03572	0.6
135.04488	5.5
137.06084	3.2
161.02429	11.2
162.03242	1.4
163.04042	2.4
165.07961	1.1
178.08746	1.2
180.10298	8.4
189.04346	3.0
190.05104	2.4
192.10391	0.9
192.12041	0.8
204.06706	3.1
206.08249	2.5
211.29691	0.6
239.07037	0.6
241.05026	3.0
254.05760	1.3
269.07990	0.8
270.11334	4.9
279.06616	1.1
282.11475	0.8
284.06863	1.1
285.10123	3.7
296.06778	1.1
299.09222	6.7
300.12512	6.3
310.10944	3.0
311.09268	18.1
314.13928	2.6
327.11151	6.0
342.13483	100.0
504.18808	82.1
619.46979	0.9
620.97137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92202	0.5
59.01383	1.0
71.01369	1.1
75.52518	0.6
89.87538	0.7
92.23052	0.8
95.22446	0.6
106.94895	0.6
113.02369	1.0
158.13513	0.6
171.10228	9.0
179.03514	0.7
191.03568	1.0
197.04608	0.9
205.98557	3.8
206.99368	100.0
208.00095	3.0
221.00919	5.1
222.01701	30.8
237.04063	0.8
296.50482	0.9
469.16531	0.8
642.78644	0.9
810.73029	0.9
831.23523	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.47698	0.4
66.97089	0.3
71.01372	0.4
85.02979	0.5
101.02463	0.5
105.02457	0.4
111.97429	0.4
117.03458	4.7
119.05021	26.1
121.02954	0.4
127.03968	0.4
145.02956	100.0
150.03056	0.4
151.15211	0.5
161.06107	0.8
162.03236	0.5
163.04016	44.8
178.49045	0.4
182.07841	0.4
197.11700	0.4
205.05087	0.6
257.87143	0.4
335.98233	0.4
352.23480	0.4
407.13574	8.3
425.14749	3.7
427.86737	0.4
571.18262	47.7
733.23645	33.6
733.34491	0.7
831.28552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.47698	0.4
66.97089	0.3
71.01372	0.4
85.02979	0.5
101.02463	0.5
105.02457	0.4
111.97429	0.4
117.03458	4.7
119.05021	26.1
121.02954	0.4
127.03968	0.4
145.02956	100.0
150.03056	0.4
151.15211	0.5
161.06107	0.8
162.03236	0.5
163.04016	44.8
178.49045	0.4
182.07841	0.4
197.11700	0.4
205.05087	0.6
257.87143	0.4
335.98233	0.4
352.23480	0.4
407.13574	8.3
425.14749	3.7
427.86737	0.4
571.18262	47.7
733.23645	33.6
733.34491	0.7
831.28552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
64.62909	0.4
71.01363	0.5
92.23113	0.7
113.02439	0.5
117.03461	3.4
119.05009	23.3
123.88940	0.5
145.02957	100.0
160.29956	0.5
161.06076	0.7
162.03113	0.8
163.04016	46.2
170.36757	0.6
175.03963	0.5
205.05078	0.7
227.97426	0.5
250.22670	0.6
265.07272	0.6
337.95135	0.5
369.48520	0.6
407.13678	6.3
425.14832	4.7
571.18292	54.2
733.23584	15.6
831.27222	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.29871	0.5
63.12076	0.5
71.01363	0.7
73.02931	0.7
85.02939	0.6
101.02476	1.0
113.02441	0.7
119.03493	0.8
128.05600	0.6
132.02165	0.9
134.03754	8.5
137.02448	0.7
149.06090	3.9
150.03227	2.9
160.01639	23.3
165.05562	7.1
175.04001	100.0
178.02666	1.2
193.05052	19.5
195.06615	0.8
241.62448	0.6
246.32959	0.6
261.13934	0.7
266.06546	0.6
439.16138	53.4
500.70593	0.8
610.18475	0.7
635.23578	10.5
783.28943	15.3
813.30164	0.7
831.30994	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
71.01364	5.3
72.99302	71.7
73.02918	1.9
74.01896	1.1
78.74489	1.2
78.85362	1.1
89.02453	15.5
101.02423	5.4
109.99284	1.2
113.02427	4.6
119.03494	1.6
123.04520	18.6
134.03677	1.4
135.04518	24.4
148.36842	1.4
151.03949	2.0
159.02913	1.2
161.04442	2.4
164.04767	2.5
179.03510	68.6
179.07002	1.6
182.82730	1.4
190.02676	7.6
191.03050	1.5
193.05109	1.9
193.21634	1.3
197.04565	100.0
205.05061	29.1
206.05457	11.4
207.05571	2.3
223.06038	6.3
225.06523	1.4
268.07712	1.3
289.23477	1.4
290.21884	1.8
341.08670	2.8
356.54324	1.5
404.21216	1.3
423.62540	1.3
469.17322	19.7
470.17639	21.4
471.17798	26.1
539.10217	1.4
608.94672	1.7
645.07660	1.4
697.25677	1.4
733.29510	12.6
790.26379	1.4
831.32776	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.4
60.99298	0.7
65.13805	0.3
67.01884	1.9
71.01369	0.7
87.00862	6.0
92.23094	0.7
93.03449	22.8
111.04498	4.1
123.04518	0.3
128.55627	0.4
129.01945	0.8
134.03752	1.8
145.85788	0.3
155.03458	0.8
171.28120	0.4
173.04552	11.6
186.82333	0.4
191.05627	100.0
192.05966	1.9
193.04993	7.0
222.52591	0.4
239.72400	0.5
317.41031	0.4
367.10376	61.3
368.10699	2.0
369.10977	1.4
521.32904	0.4
616.46362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
60.99298	1.4
61.49603	0.3
67.01893	1.5
71.01370	0.6
74.49583	0.3
85.02921	0.4
87.00860	5.4
89.02431	0.5
93.03445	19.6
101.02368	0.4
111.04517	3.9
113.02447	0.5
129.01888	0.5
134.03752	1.7
140.62788	0.3
145.08661	1.4
149.06001	0.3
155.03514	0.7
171.03215	0.4
171.87805	0.3
173.04539	13.2
186.77554	0.3
191.05624	100.0
193.05028	7.9
307.14117	3.3
367.10355	67.4
546.47479	0.4
734.54150	0.4
777.21790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11161	1.6
59.48839	1.3
83.07312	1.6
86.73383	1.7
87.00874	3.8
93.03454	19.2
171.32155	1.9
173.04533	14.2
191.05621	100.0
193.05107	8.4
266.13287	2.3
282.46722	1.9
343.86053	1.8
367.10373	61.1
424.22192	1.9
602.87799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
59.77626	0.3
67.01891	0.6
71.01379	2.1
71.55296	0.3
82.04755	0.3
86.41679	0.3
92.32963	0.3
93.03461	10.1
109.00349	0.3
109.02970	0.5
111.04531	3.7
113.02457	1.6
117.03459	0.7
119.04999	0.3
124.01771	0.3
134.03741	8.3
137.02466	3.7
145.02953	1.6
149.06084	2.1
155.03494	4.4
163.04018	0.7
173.04556	100.0
174.04893	1.3
191.05649	6.1
193.05072	17.7
300.02835	9.9
301.03629	3.7
367.10397	49.3
368.10733	1.9
425.34314	0.4
435.13055	3.3
463.08881	8.8
483.47540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
60.99308	1.0
67.01884	1.5
71.01376	1.5
74.70113	0.2
85.02948	0.6
87.00867	5.4
89.02478	0.3
93.03444	23.0
111.04516	4.5
113.02434	0.6
129.01938	1.2
134.03711	3.2
143.03438	0.3
155.03482	1.4
160.18617	0.2
165.49789	0.3
173.04535	12.1
175.03983	1.0
179.03654	0.3
191.05624	100.0
193.05029	7.6
262.38327	0.3
367.10352	56.7
491.67328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
60.86456	1.7
71.01393	3.5
72.99307	66.5
73.65158	1.9
80.06285	1.9
80.09899	1.7
84.52966	1.7
88.81683	1.9
93.41955	1.8
96.95984	2.2
123.04547	17.2
135.04549	30.6
173.64352	2.0
179.03503	71.6
197.04570	81.0
197.32283	2.4
287.37875	3.0
391.23779	2.2
467.56360	2.4
567.79779	2.3
733.33014	19.2
831.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
60.06935	1.8
71.01382	4.5
83.05037	4.6
84.40131	2.0
89.02430	9.3
98.74026	2.3
98.92860	2.0
101.02457	3.3
111.08155	43.9
111.93531	2.2
113.02392	3.3
115.79037	2.0
125.02398	2.8
163.99414	2.2
173.08221	26.0
186.50989	2.4
245.78090	2.3
277.21747	25.3
487.22986	2.5
491.39160	2.9
571.22241	2.6
694.07928	2.3
831.43951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
67.10667	1.4
67.84995	1.2
70.36070	1.1
71.01382	2.5
72.99305	1.6
82.14435	1.3
82.18859	1.2
89.02441	2.3
89.37550	1.2
90.62325	1.2
93.92405	1.3
113.02496	1.4
150.06863	20.0
179.03529	2.2
179.10762	12.7
179.12105	1.3
197.04617	5.8
224.03279	2.0
239.05524	2.2
327.21805	12.7
329.65320	1.4
418.19757	1.5
446.30347	6.3
460.32224	8.9
461.32773	35.5
484.41742	1.5
487.30896	2.6
488.31638	8.9
489.32785	2.5
505.31903	1.6
506.32458	15.7
507.33273	49.8
507.40314	2.5
517.96021	1.5
540.28644	2.0
669.38470	11.0
831.44080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83537	1.0
59.01374	6.5
59.19847	1.0
61.98823	1.2
68.28587	1.0
70.06698	1.3
71.01379	5.2
83.05012	2.4
89.02457	8.0
101.02436	4.2
111.08152	55.3
113.02425	1.6
173.08197	72.3
221.06703	1.7
277.21780	12.0
286.72659	1.4
291.19638	4.7
831.43945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.9
71.01374	19.8
72.99321	0.6
73.02936	3.3
80.13383	0.4
83.01367	3.0
85.02940	7.8
87.00845	0.7
88.06129	0.5
89.02434	24.4
95.01372	2.0
99.00865	1.1
101.02434	22.8
113.02441	17.7
119.03498	9.5
125.02431	0.5
131.03439	0.7
143.03505	0.9
149.04503	0.5
157.12335	2.3
161.04533	2.7
170.35844	0.5
224.21051	0.5
294.08032	0.5
598.08142	0.6
609.39813	0.7
653.89520	0.5
660.51221	0.6
760.56549	0.5
771.45428	100.0
831.40454	0.8
835.02173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.4
61.65410	0.9
66.60925	0.9
67.49757	0.9
71.01382	23.9
72.99334	1.3
73.02943	5.0
83.01373	1.2
85.02948	7.5
87.00881	2.1
89.02443	26.7
95.01402	1.7
99.00861	1.5
101.02446	29.3
113.02460	15.3
119.03493	8.5
123.76283	1.2
125.02443	2.5
143.03510	2.6
157.12329	1.4
161.04591	8.9
179.05557	1.3
196.57217	1.1
197.04504	1.6
221.06644	4.9
289.88446	1.2
374.58838	1.1
521.72992	1.4
537.35040	1.4
546.32123	1.3
742.91254	1.4
771.45441	100.0
831.40881	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69614	1.5
71.01358	1.7
73.28292	1.6
78.98582	1.9
79.95724	8.5
80.96514	31.5
94.98063	6.5
115.28044	1.6
121.86183	1.4
125.02410	2.0
134.97554	2.3
136.93671	1.5
148.99112	2.6
152.98637	6.2
164.98618	12.8
179.80484	1.6
206.99715	3.1
225.00751	28.6
255.23305	3.8
473.51328	1.7
537.27539	2.8
831.49384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16174	0.7
63.81483	0.8
71.01372	3.5
78.06329	0.8
78.95895	2.1
78.98602	3.6
79.95740	7.1
80.96521	29.0
81.53352	0.8
85.02924	1.0
94.98081	7.4
101.02412	0.9
122.97573	1.4
125.02461	1.7
134.97560	3.4
137.40714	0.9
148.99103	4.5
152.98619	4.1
152.99695	1.3
164.98686	11.3
206.99713	2.0
225.00731	26.1
241.01088	3.8
255.23293	9.6
277.21719	6.1
283.04926	1.9
308.60434	1.1
355.07205	1.5
397.90839	1.0
401.17178	1.2
416.17508	1.1
537.27521	4.5
575.25604	1.7
578.15857	1.0
609.28790	1.2
689.98792	1.0
831.49609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
72.93854	0.6
74.98225	0.6
75.17291	0.5
78.95901	23.7
80.96507	0.9
96.96941	8.0
97.25101	0.7
152.98477	0.9
152.99594	15.7
208.61488	0.7
218.12643	0.7
223.00125	3.5
225.00813	0.9
236.69487	0.7
241.01202	23.8
255.23303	53.2
259.02246	1.5
277.21750	37.0
279.23312	0.9
291.64856	0.7
297.04016	1.5
315.15604	0.8
315.51584	0.8
385.74203	0.7
455.02069	0.7
570.63959	0.7
759.90729	0.8
831.50330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45004	0.5
71.52255	0.6
74.22164	0.5
76.00905	0.5
83.05043	0.9
85.02948	0.8
113.02441	100.0
133.61459	0.6
137.09691	0.6
139.07614	0.9
152.99580	0.7
155.14430	5.0
167.56941	0.6
171.10300	2.0
195.13853	0.7
251.23761	2.4
255.23312	1.1
277.21747	4.6
285.23709	0.6
295.22803	73.3
298.61734	0.6
344.78687	0.5
350.89539	0.5
796.17371	0.7
818.30933	0.7
831.53052	1.1
853.85864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.52948	0.8
81.66331	0.8
85.02892	0.8
97.01182	0.8
145.02827	0.8
152.99596	1.3
165.72002	0.9
195.13887	11.4
196.14676	1.5
222.51898	0.8
223.13383	7.7
231.21140	1.1
243.75102	0.8
256.12973	1.0
275.20178	7.7
277.21680	3.6
293.21252	100.0
391.25012	18.8
514.13287	1.0
831.46283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
63.55257	1.9
68.39501	1.7
90.28884	2.3
103.96593	2.0
115.98903	2.0
188.45717	2.0
231.21204	4.5
260.15692	2.0
269.68222	2.0
275.20209	88.5
277.21756	8.0
307.19223	3.6
307.22803	100.0
397.87732	2.0
503.34091	2.2
623.24530	2.0
831.49188	2.3
842.36816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98262	0.5
71.01407	0.7
93.03475	5.7
104.91010	0.7
118.00147	0.7
137.02438	34.0
144.04575	4.1
160.04050	2.8
162.05582	8.1
178.54681	0.6
191.05679	0.9
211.78023	0.8
235.67169	0.6
239.11914	0.7
268.58151	0.7
280.06113	3.5
287.00085	0.8
294.07745	0.8
296.05627	9.8
299.07779	4.7
310.07254	5.3
311.07898	8.4
326.10361	100.0
338.77197	0.7
352.08060	0.8
370.09375	9.9
414.05969	0.7
440.27536	0.7
462.50336	0.7
532.14655	54.9
662.46497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37260	0.5
59.01384	2.8
61.98832	100.0
62.70342	0.4
68.32082	0.6
71.01394	0.9
72.99300	5.8
79.22871	0.5
85.02982	0.4
89.02430	0.7
91.82779	0.5
95.24873	0.6
95.91297	0.5
99.39204	0.5
101.84182	0.5
102.87193	0.5
123.04563	1.0
135.04507	1.1
179.03505	6.0
180.03879	0.6
191.03050	0.8
197.04555	9.4
198.04904	2.1
205.04964	3.6
206.05473	2.7
207.05641	0.9
208.05956	0.7
222.47873	0.5
469.16986	0.7
470.17667	2.9
471.17892	3.1
472.18094	2.5
601.30884	0.6
659.01526	0.6
734.53607	0.7
832.33563	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.8
71.01362	3.7
79.85141	0.6
89.02441	9.6
99.00874	9.3
101.02432	3.9
113.02438	5.8
119.03479	4.3
119.04980	1.4
131.03461	1.2
140.58803	0.6
149.04524	1.5
161.04543	2.8
185.18816	0.6
190.32410	0.8
191.05669	3.8
267.06717	3.1
297.97467	0.6
299.11557	0.9
300.45151	0.7
310.10898	18.8
325.13232	92.8
326.13962	4.2
340.15555	100.0
400.17734	5.6
431.15640	34.2
436.21841	0.7
467.94333	0.7
470.64914	0.8
772.32623	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
74.08102	0.3
90.84368	0.3
90.86752	0.3
109.20830	0.3
151.04010	3.4
153.11607	0.4
153.12845	11.1
170.15466	1.4
196.13437	1.4
197.11838	15.2
213.11421	0.3
214.14503	100.0
215.12883	9.0
357.13434	2.0
432.55359	0.3
436.14297	0.3
452.96216	0.3
519.18884	0.6
750.67291	0.3
832.29877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21259	0.6
71.01374	5.8
89.02439	0.9
99.26753	0.7
102.43528	0.6
105.19427	0.6
115.00368	40.9
115.01202	1.4
133.01433	100.0
161.78722	0.7
265.54507	0.8
306.42191	0.7
328.43533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
62.54094	0.2
71.01376	7.0
72.99293	2.1
87.00871	0.8
89.02428	1.4
115.00362	34.6
133.01427	100.0
135.23064	0.2
144.04567	0.8
146.02435	0.4
156.07036	0.2
183.07735	0.2
249.12071	0.2
337.48505	0.2
363.86035	0.2
368.09985	1.2
369.10309	0.4
430.85022	0.2
480.79593	0.3
739.51221	0.2
838.27655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	6.5
72.99266	1.0
103.17666	1.2
115.00355	37.6
124.03973	0.9
133.01427	100.0
136.76186	1.0
197.94170	0.9
288.25497	1.2
401.34390	1.0
412.64401	1.3
431.75775	1.4
603.55243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
71.01363	2.3
82.67998	1.4
87.00863	2.2
89.02435	2.1
96.95965	1.3
101.02435	2.0
103.16633	1.2
111.09018	1.6
113.02452	1.5
150.06894	1.5
171.10214	2.2
211.51642	1.5
235.06105	2.5
297.07666	9.8
309.07651	11.3
309.11322	18.5
312.09952	8.5
324.09998	6.1
327.12119	5.3
337.07059	2.2
338.07700	2.2
339.08716	5.4
341.06747	2.4
351.09076	1.9
352.09460	2.3
353.06613	4.5
353.10272	11.3
356.08960	8.6
368.09027	21.1
371.11310	18.2
383.11356	18.0
490.33115	2.0
509.34821	6.9
715.26068	2.2
727.26044	6.6
745.27094	6.6
833.28741	100.0
833.44934	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
71.01366	5.3
89.02441	3.2
99.00865	1.9
101.02348	1.7
113.66833	1.5
119.03500	1.6
121.03011	2.2
130.69685	1.5
149.02425	15.5
150.03223	42.0
152.01077	1.5
163.04004	1.8
164.04791	49.9
165.05554	100.0
177.05597	2.0
179.07147	12.0
180.04282	8.3
190.02776	9.3
193.01486	2.1
193.05063	1.5
195.06647	28.2
205.05092	17.5
207.06647	2.1
208.03792	53.9
223.06133	93.5
236.65576	1.2
286.32245	1.4
357.13733	1.9
371.11432	5.4
401.12338	1.4
413.14587	2.0
419.13535	71.3
610.53156	1.5
611.21826	16.0
637.21521	35.1
789.30194	3.2
833.28986	59.3
842.47571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66640	0.8
71.01381	1.1
85.02930	1.0
96.95959	1.0
100.34985	0.9
101.02399	1.7
120.32269	0.9
135.04552	1.4
137.02428	1.2
147.04503	1.5
149.02429	17.5
150.03313	1.1
151.04041	0.9
152.01181	1.3
161.04436	1.0
163.04054	1.2
164.04797	46.1
165.01915	22.9
169.05080	1.2
177.05632	0.9
179.03458	5.7
179.07155	13.1
180.04298	50.5
190.02704	7.6
193.01430	1.9
194.05817	4.6
195.06636	100.0
205.05066	16.7
208.03777	53.6
208.05754	1.9
210.05334	22.6
223.06123	97.8
225.07693	25.7
255.23415	1.2
327.08664	4.0
342.10925	3.7
383.13354	1.0
401.12363	4.8
431.13718	1.4
449.14590	77.1
457.21512	1.3
607.20416	22.0
833.28809	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.9
64.22384	1.4
71.01375	2.7
72.99290	1.8
78.17278	1.5
81.19600	1.3
83.03597	1.2
87.91554	1.1
89.02428	1.7
95.17898	1.4
96.95949	2.1
99.00845	1.9
101.02444	2.0
107.63539	1.5
109.88344	1.4
113.02409	1.8
116.41115	1.4
118.99331	1.3
134.03734	51.4
135.04523	1.6
137.02400	1.6
137.96970	1.2
148.38951	1.2
149.06049	21.1
152.55116	1.6
160.01614	7.4
165.01924	9.7
175.04004	23.7
178.02728	22.7
179.03511	7.9
180.04301	27.4
193.05060	100.0
194.05772	7.0
195.06641	50.0
210.05328	8.2
225.07672	11.8
297.07761	11.0
312.10080	8.7
327.12512	1.6
356.09174	2.8
371.11493	16.1
401.12320	2.0
419.13599	31.8
429.14130	2.0
458.76105	1.6
508.18277	1.4
509.23685	1.9
566.19019	1.6
607.20343	35.8
784.94165	1.5
833.28729	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37732	0.8
58.94046	0.8
59.01379	7.3
63.67255	0.8
71.01378	8.7
71.68267	0.8
72.99322	8.0
73.02945	0.9
85.02947	2.1
87.00850	1.2
89.02435	6.9
91.00811	0.8
93.03430	0.9
99.00871	5.4
101.02416	4.2
113.02447	7.7
115.01798	0.8
117.03432	1.2
119.03490	2.3
121.02952	6.7
122.03677	1.7
133.02979	1.1
134.03734	54.0
135.04486	4.5
137.02403	3.6
149.02443	7.4
149.06075	27.7
150.03212	32.2
151.03990	1.0
153.05510	1.1
158.06497	1.2
160.01648	13.9
164.04776	5.8
165.05560	84.3
167.07108	4.2
175.03979	24.9
178.02705	31.6
180.04283	6.1
191.05637	1.1
193.05066	100.0
195.06645	19.3
234.06915	1.3
250.06325	7.8
253.08752	2.2
267.06650	4.5
272.15680	1.0
282.09006	26.1
297.11240	1.5
326.07947	1.8
329.12250	1.8
341.10358	24.2
371.11227	1.5
389.12466	58.3
443.15668	21.7
461.16769	2.1
536.23755	1.2
637.21429	36.3
650.66168	1.1
833.28815	96.1
833.40796	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.6
71.01373	3.8
73.02962	1.8
85.02971	2.2
87.00867	4.5
89.02430	2.5
89.12344	2.2
101.02466	4.7
113.02436	2.4
142.97711	2.4
149.02423	11.2
150.03220	44.2
164.04800	2.5
165.05573	61.5
180.04340	3.7
182.37924	2.1
187.62801	2.1
195.06696	4.0
223.06065	2.8
359.14816	2.5
425.81598	2.5
461.74963	2.4
488.17053	4.8
506.18118	4.4
521.20184	9.2
563.21393	4.1
575.21289	8.8
681.25598	5.1
719.22443	2.6
728.92877	2.4
741.27240	18.0
789.29932	100.0
833.27081	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	24.4
59.33092	2.8
60.85062	2.8
68.27103	2.6
69.66383	2.6
71.01382	15.6
72.59126	2.9
87.14275	3.1
87.69789	3.1
88.13807	2.9
89.02439	14.8
92.22478	3.5
96.95989	3.4
100.16780	3.0
101.02434	12.0
113.02406	5.4
115.04003	6.7
115.39002	3.7
119.03483	3.9
154.13542	3.1
171.10289	15.4
324.10065	3.7
353.10257	4.8
355.08093	3.8
509.34866	6.1
582.17249	4.1
599.17834	14.9
617.22797	4.4
629.22168	4.3
735.25134	35.3
833.27936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.3
59.03155	2.7
66.40825	2.6
68.88875	2.7
70.93070	2.4
71.01383	14.2
89.02444	11.0
99.08154	3.1
101.02452	11.4
101.09669	2.8
109.38747	2.7
113.02451	12.4
115.04025	10.7
127.11304	6.6
147.17331	2.6
171.10278	45.1
199.60057	3.2
226.38364	3.0
291.06848	4.3
311.09351	4.9
338.08215	2.9
353.10284	10.8
419.11673	4.9
437.16245	3.9
513.26715	3.4
587.17114	3.5
599.17981	4.5
602.19275	4.0
617.22357	4.2
629.22485	6.5
735.25513	41.6
756.10364	3.3
833.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.1
71.01371	7.1
71.09453	1.0
83.01389	1.1
83.08627	1.2
87.00883	1.9
89.02458	8.3
96.74740	1.0
97.02934	1.3
101.02435	7.3
109.85216	1.1
113.02446	4.7
115.04029	9.0
119.03493	4.7
127.11245	1.3
128.13055	1.2
131.17583	1.2
161.05989	1.3
171.10225	4.5
174.03239	1.3
202.02727	1.9
205.05086	1.4
213.38499	1.4
217.05093	1.7
238.04741	2.4
263.07141	1.9
291.06653	5.5
292.07468	2.8
308.06955	1.3
309.08026	2.9
309.11404	8.1
311.09085	4.9
312.10049	1.8
319.05688	1.6
323.05472	5.8
323.09167	5.8
324.10031	2.4
333.07669	4.7
335.05399	1.7
338.08121	9.5
338.11542	1.8
350.07895	2.8
353.06793	2.9
353.10376	37.3
355.08276	2.5
365.10272	5.2
368.08960	9.8
370.10437	4.8
371.11154	1.9
383.11252	11.4
585.15546	1.6
597.19550	2.3
599.18018	5.1
619.52844	1.4
629.22235	7.3
647.24060	1.5
681.22571	1.6
727.26599	1.6
735.24976	34.6
745.27319	2.1
833.28760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.16407	4.5
65.87096	4.7
70.80734	4.5
71.01376	36.5
73.02944	89.4
76.65934	5.0
83.01407	12.5
85.02949	6.8
89.02444	25.4
92.76989	5.2
101.02444	72.2
109.84697	5.8
113.02428	44.5
119.03535	7.1
128.16008	6.1
149.02495	6.7
149.04538	11.0
150.03249	5.9
161.04555	27.4
165.05563	11.4
173.32976	5.1
179.07135	5.5
195.06667	12.4
205.05145	8.0
221.06659	7.7
344.12506	10.6
537.21381	52.4
543.36328	6.4
567.22461	24.9
833.30927	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
78.99194	0.2
83.07294	0.2
89.07635	0.3
91.56463	0.2
93.89280	0.2
100.07612	0.2
117.08102	0.2
124.26797	0.2
136.64792	0.2
169.12303	0.4
181.12373	2.0
199.13409	20.2
268.03781	15.0
283.06131	100.0
310.67639	0.2
311.79202	0.2
414.41318	0.2
600.32642	0.3
632.94519	0.2
633.18341	6.4
839.78033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19868	0.2
61.13702	0.2
61.23352	0.2
63.92477	0.2
69.98790	0.2
80.31195	0.3
83.01721	0.3
87.19833	0.2
92.78883	0.3
179.67986	0.3
199.13414	20.7
216.76292	0.2
244.30779	0.3
268.03784	15.9
281.04495	0.3
283.06140	100.0
633.18347	10.9
633.28735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.479
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02987	0.8
86.02459	0.8
96.00930	5.6
98.02467	2.6
108.53191	0.5
109.05931	0.6
111.02000	2.5
114.05593	40.6
115.08760	3.1
127.08754	0.9
127.42034	0.6
129.10326	5.3
135.79814	0.5
136.11305	0.8
138.09239	0.7
140.07199	0.7
141.06717	5.7
155.08232	5.3
156.10320	0.9
165.10306	8.1
166.08685	3.6
167.08311	2.0
179.66025	0.6
181.13416	2.3
182.08235	7.4
183.11406	0.8
184.44559	0.6
191.08191	0.6
192.10269	1.0
193.13464	5.6
199.18884	0.8
201.70175	0.6
208.10934	10.6
208.14471	0.7
209.09363	8.7
209.12964	10.6
226.11996	13.6
226.15616	2.5
236.13887	0.9
252.17110	1.0
254.15128	6.6
254.18764	3.5
255.23451	0.6
278.22415	3.6
280.16656	13.2
280.20248	7.8
298.17752	18.1
304.20126	0.7
357.23398	0.8
358.87540	0.7
375.24054	2.4
408.40588	0.6
509.45325	0.7
718.41895	6.9
768.23535	0.7
828.68927	0.7
833.47882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	3.9
73.68546	1.0
78.95889	11.1
78.98586	1.5
79.95724	3.6
80.96515	22.7
94.98093	6.9
96.96978	1.8
109.90617	1.1
113.30645	1.0
125.02486	1.6
134.97578	1.2
148.99115	4.5
152.98587	4.8
152.99623	4.4
161.22363	1.1
164.98613	11.5
206.99547	3.6
214.38652	1.0
223.00247	1.7
225.00761	23.7
225.10414	1.0
241.01228	8.8
255.23325	24.6
279.23328	23.3
284.28058	1.0
290.58319	1.3
475.43222	1.1
537.27539	1.0
833.51373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.514
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32052	0.5
71.01372	1.5
75.33218	0.6
78.95905	9.4
79.95731	1.4
80.96510	18.6
85.02934	0.7
87.00834	0.8
91.66852	0.6
94.98074	5.6
96.96962	1.4
97.02899	0.7
98.90260	0.7
100.53780	0.5
101.02447	1.4
106.98075	0.7
122.97555	0.8
125.02469	1.2
134.97609	1.3
136.99127	1.4
148.99071	2.5
152.98570	3.5
152.99594	6.8
164.98647	7.5
182.91032	0.6
206.99605	1.5
218.63687	0.6
223.00117	1.2
225.00723	18.6
241.01158	10.9
255.23289	25.0
279.23297	24.2
499.27710	0.6
538.49371	0.6
577.26910	1.1
618.45856	0.6
833.51349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89599	0.2
72.34898	0.2
77.10181	0.2
77.11698	0.3
78.95881	0.4
96.12089	0.3
102.79184	0.2
104.35918	0.3
115.10313	0.3
125.09702	1.5
151.11296	1.2
152.99576	0.4
172.83980	0.3
194.35254	0.3
213.44112	0.3
251.23833	1.5
255.23299	1.4
277.21805	1.2
279.23315	1.2
291.23276	0.4
295.22806	100.0
392.40295	0.3
478.97971	0.3
539.26624	0.3
778.14252	0.3
833.52936	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
71.01376	0.6
76.53732	0.2
78.95920	0.5
83.04948	0.3
86.97868	0.2
93.24561	0.3
102.08980	0.2
109.06592	0.5
111.08122	2.1
113.08952	0.4
113.09722	11.0
139.11317	0.6
152.99606	0.5
159.83676	0.3
165.28758	0.3
167.10747	2.5
173.08211	3.1
177.12794	0.6
179.10783	1.7
183.13924	0.4
187.63254	0.3
195.13930	1.9
225.25061	0.3
249.22264	2.6
253.21823	0.3
255.23346	1.7
271.54822	0.3
275.20209	1.1
277.21735	8.5
279.23291	2.4
293.21259	100.0
295.22290	0.3
319.83292	0.3
339.21411	0.3
833.44153	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	52.2
71.01395	1.0
74.46111	0.8
78.95913	1.1
99.31778	0.7
139.04048	1.7
152.99538	3.0
157.12552	0.7
184.22955	1.0
241.01202	1.7
255.23225	7.5
277.21765	41.3
278.22009	1.0
279.23264	9.4
293.21222	6.3
294.21545	1.9
295.22815	100.0
342.67099	0.9
375.25519	1.6
389.26974	4.5
417.26419	2.0
434.40991	0.8
561.81152	1.0
614.00415	1.0
768.03931	0.9
833.52264	17.8
852.94824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.4
71.01390	0.5
72.84878	0.3
78.95919	1.3
81.13770	0.3
89.02453	0.8
101.02433	0.8
113.02403	0.5
152.99593	0.6
161.04611	0.7
188.73003	0.4
235.08270	0.5
241.01181	0.8
245.80934	0.4
253.09233	2.1
255.23289	3.8
256.23932	0.4
259.20691	0.4
277.21747	100.0
279.23315	2.5
513.30847	4.2
536.63702	0.4
642.90686	0.4
833.51825	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77663	0.6
92.94013	0.7
102.29274	0.6
112.07034	0.9
112.07693	8.0
113.06082	1.0
116.07083	0.7
129.10349	5.4
130.08734	12.5
138.77083	0.7
165.05537	1.4
174.39413	0.7
195.06628	4.1
207.15079	3.9
208.13478	1.4
224.17709	2.8
225.16098	26.7
269.07959	0.8
314.53845	0.8
318.27991	0.8
320.23450	1.1
337.26132	4.3
338.24570	7.9
433.31894	3.3
450.34561	4.3
451.33093	4.2
510.28476	0.8
538.58862	0.7
563.43073	2.8
564.41449	2.9
745.26782	0.9
772.56671	5.3
790.58191	100.0
833.33118	1.4
833.58704	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.5
72.99308	1.0
88.63577	0.6
89.02442	0.9
89.05684	0.5
115.00365	32.5
124.11217	0.6
133.01431	100.0
146.39592	0.7
197.04642	0.9
277.13733	0.6
298.10638	0.8
369.91641	0.7
636.22852	1.5
738.36151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88148	0.8
77.42841	0.9
83.62441	0.8
97.13317	0.8
114.44501	1.1
139.04036	5.4
142.32710	1.0
151.03989	4.6
154.53442	1.1
154.71980	0.9
161.48102	1.0
227.10747	9.7
253.05063	1.6
253.08777	1.2
255.23378	1.1
269.05450	1.8
269.08218	35.7
271.09790	100.0
281.04559	10.8
281.07803	1.8
283.09793	60.2
359.87799	1.1
362.63919	1.0
369.70193	1.0
486.82373	1.2
553.18823	75.8
627.96222	1.2
835.24176	9.2
835.52911	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99451	1.1
65.14674	1.2
70.98570	1.2
82.58910	1.1
89.35319	1.0
139.04031	4.9
149.79112	1.4
151.03987	2.2
227.10745	9.3
255.23418	1.5
267.46228	1.2
269.08203	41.6
271.09769	100.0
281.04587	11.7
281.07458	1.4
283.09772	54.7
291.24249	1.2
406.29553	1.4
478.48776	1.2
527.39081	1.2
544.58710	1.5
553.18774	82.0
643.43121	1.5
678.96167	1.4
762.49231	1.4
835.24664	10.1
835.51111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.267
Annotation	Uroporphyrinogen I
Peak:m/z	Relative Intensity
59.01385	2.5
62.47552	2.1
68.92619	1.7
71.01369	4.6
71.57446	1.8
72.04475	1.6
77.97842	1.6
84.84518	1.7
85.02942	2.4
87.00855	10.4
88.98788	2.7
89.02417	3.0
92.23049	2.0
93.03439	31.8
101.02418	2.5
111.04520	4.1
117.49398	2.0
152.36514	1.9
157.84315	1.7
173.03185	2.8
173.04559	24.7
191.00392	2.0
191.05644	44.1
193.04955	2.7
254.29831	2.2
323.05682	7.4
323.09488	3.0
336.06473	2.4
337.07278	9.9
338.08011	8.8
364.06042	2.8
368.05225	2.4
379.08279	4.1
382.07251	17.0
383.07669	7.8
397.09311	43.0
442.53186	2.2
459.78693	2.4
511.84424	2.1
567.86096	2.4
571.14160	15.8
613.22784	2.5
722.99146	2.4
835.26642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39360	0.7
60.99286	0.8
64.90740	0.8
67.01866	2.3
69.77522	0.7
71.01387	4.2
73.02938	1.0
81.03461	1.4
85.02921	0.9
87.00870	11.7
88.60596	1.0
89.02439	1.0
93.03446	37.6
101.02391	1.2
108.64893	0.9
111.04510	7.3
116.20067	1.0
129.01939	1.4
155.03505	1.9
164.04793	4.5
173.04558	17.7
175.00197	1.0
190.02768	8.3
191.05621	4.7
193.90721	1.1
205.05069	55.7
208.03772	1.1
223.06146	10.6
312.09918	1.2
397.09167	1.7
454.14941	1.8
469.17361	10.5
835.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.289
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	7.5
71.01711	0.8
72.99300	1.3
89.02428	1.2
115.00361	36.2
125.71800	0.7
133.01422	100.0
185.27876	0.7
328.71484	0.9
405.44049	0.8
765.92755	0.9
801.47662	0.9
841.27478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18350	0.3
71.01361	0.4
77.69840	0.4
87.00880	0.5
93.07283	0.4
122.02545	0.4
123.85715	0.4
130.13399	0.4
135.03029	0.8
135.04547	0.6
139.04041	3.6
139.39844	0.5
153.02042	0.7
161.02431	1.8
179.03485	0.8
191.05629	100.0
192.05978	0.8
193.05165	0.5
227.48965	0.5
255.46983	0.4
353.08826	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
71.01371	10.2
75.34457	1.0
78.95895	1.6
83.05039	1.1
87.00865	1.6
89.02453	11.4
98.23431	1.0
101.02410	6.9
111.08215	1.3
113.02418	4.9
117.76350	1.2
119.03475	2.0
120.36189	1.2
120.37022	1.0
120.81931	1.2
122.67108	1.1
125.02427	1.1
134.92876	1.1
137.09702	9.5
155.10800	37.6
199.09782	2.7
255.23311	45.2
277.21667	1.5
835.46991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
67.91039	0.6
71.05022	3.2
76.84171	0.5
79.05527	4.0
85.37447	0.5
95.04980	0.8
97.06587	12.4
106.04237	1.0
106.46270	0.5
107.05046	1.0
109.06596	0.9
109.47575	0.6
121.06573	2.5
123.08152	3.2
125.09721	10.6
135.08159	67.3
151.11301	2.0
163.11266	0.7
171.10301	0.6
177.12796	0.6
183.10271	1.3
185.11821	1.2
189.12953	2.3
192.04179	0.6
195.13765	0.6
205.15947	6.5
207.10306	0.9
209.11830	1.2
221.11711	0.7
223.13406	0.6
223.48827	0.5
231.13913	1.3
233.11740	0.8
249.14954	46.9
253.09369	4.1
260.22885	0.6
263.16513	1.3
269.15356	0.7
275.20047	0.8
287.16565	3.5
293.21268	8.5
300.98926	0.6
305.17618	100.0
345.68829	0.5
529.30304	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16646	0.4
70.57850	0.4
72.83188	0.5
78.95895	0.6
93.62096	0.4
97.52917	0.4
110.36829	0.5
121.10250	1.7
139.99249	0.4
171.10260	2.6
183.13911	3.9
195.14029	0.7
223.17044	51.6
235.16911	0.5
251.16573	0.5
263.11407	1.1
275.20233	11.7
277.21799	1.1
293.21259	100.0
295.22830	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
59.37583	0.3
74.32658	0.3
84.11073	0.4
111.08156	0.4
126.99137	0.4
171.10260	1.5
179.14404	0.6
195.13921	10.9
195.15591	0.7
196.14738	2.8
205.12340	0.5
223.13379	7.9
231.21162	0.4
253.94691	0.4
256.13257	1.6
263.11246	1.4
274.32678	0.4
275.20230	6.9
277.21710	0.7
279.33661	0.3
293.21259	100.0
295.22702	3.6
485.36578	0.4
835.51532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
60.96365	0.9
62.69308	0.9
66.11143	0.9
71.04304	0.9
79.56947	1.0
86.22793	1.2
92.22497	1.6
113.16286	1.2
121.10252	14.9
123.44730	1.6
171.10269	28.8
183.13895	10.9
195.13942	2.3
211.13495	5.2
231.21201	1.5
235.16943	1.3
263.11346	12.5
275.20187	50.9
275.22977	2.2
277.21777	4.5
282.44830	1.2
293.21252	100.0
294.21649	1.6
295.22845	16.3
381.80035	1.1
754.83209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	8.9
73.90616	0.4
92.23115	0.7
112.83505	0.5
118.56950	0.5
122.03725	0.7
123.04501	3.4
135.04527	2.4
146.06139	0.6
149.04845	0.8
152.25778	0.5
157.78671	0.5
162.05630	3.9
164.07297	0.5
164.38483	0.5
176.07114	0.5
179.03525	9.9
191.25487	0.5
197.04568	29.6
198.05470	0.5
252.10408	0.8
270.11383	100.0
314.10379	2.7
359.09875	20.1
432.16666	4.2
449.86777	0.6
476.15680	58.9
757.96564	0.6
788.75964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.5
61.98832	100.0
82.09904	0.5
116.28606	0.6
123.37762	0.6
275.65186	0.8
277.21524	0.9
278.21991	2.7
279.22461	0.9
300.72983	0.7
304.89206	0.7
666.62646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36889	0.8
78.95905	5.6
80.16042	0.9
82.09005	0.8
119.89001	0.8
140.01192	4.7
141.77484	0.9
142.28662	1.0
195.87122	0.9
196.03844	8.5
269.24893	100.0
351.26639	1.1
369.27698	2.0
426.86169	1.2
466.29453	58.0
466.36115	2.0
618.35919	1.0
667.86578	0.9
691.42035	1.0
800.77252	1.0
803.63995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
72.10239	0.3
72.99300	27.1
74.48996	0.4
78.26676	0.3
92.22467	0.4
123.04513	6.5
135.04529	7.7
151.03978	0.6
153.01927	0.5
156.00720	0.4
162.05600	0.7
179.03503	34.2
180.03786	0.4
197.04568	100.0
198.04887	2.4
270.11380	12.3
270.42725	0.3
271.11707	8.8
294.69385	0.4
359.09885	80.6
360.10233	2.2
433.17120	0.8
476.15671	5.6
477.16193	9.3
763.61578	0.4
787.78827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45474	0.4
59.01386	1.1
71.01391	2.0
72.98889	1.0
72.99301	26.4
89.02433	3.0
101.02443	2.2
104.15644	0.5
113.02450	1.1
115.84705	0.6
119.03487	2.6
123.04519	6.0
128.09860	0.5
135.04520	10.3
179.03500	31.4
197.04572	100.0
221.06706	1.9
288.88730	0.6
300.33444	0.6
315.10883	5.2
359.09882	83.8
362.06467	0.5
477.16241	19.6
837.26215	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
63.11165	0.4
64.88494	0.4
65.95766	0.4
66.14513	0.5
71.01379	5.1
72.99303	26.0
80.72948	0.4
85.02949	1.0
89.02435	8.1
95.01389	0.6
99.00871	5.8
101.02446	2.7
105.36470	0.5
113.02439	13.8
119.03461	1.9
123.04485	6.5
123.76510	0.5
131.03471	1.0
135.04526	12.2
149.04579	3.2
150.03247	4.8
151.03996	4.8
153.05550	6.6
161.04553	2.6
169.48798	0.5
179.03499	31.5
191.05611	3.0
197.04564	100.0
203.09174	0.5
205.05232	0.6
215.05510	0.5
218.31807	0.5
297.10214	0.5
315.10907	3.1
356.77896	0.5
359.09875	69.8
437.86179	0.6
445.13556	9.9
477.16187	41.0
511.08481	0.7
570.96661	0.5
843.50134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94885	1.5
65.18743	1.8
65.43726	1.8
67.51584	1.7
68.99797	3.5
118.70425	2.1
138.03217	8.9
149.02483	2.3
150.03223	26.3
153.01892	2.9
153.05602	17.0
164.04794	3.0
165.04237	2.6
165.05588	42.7
176.01144	13.6
177.13753	2.0
178.02698	3.7
179.07062	2.2
180.04321	4.9
181.04878	2.6
183.13892	2.4
191.03494	18.7
192.04324	8.7
193.01425	8.1
193.05054	10.2
195.06694	7.9
207.06607	30.5
208.03784	26.1
223.06126	34.0
268.03781	4.2
279.08887	2.2
283.06226	13.8
288.59695	2.0
300.02756	2.2
382.58914	2.3
382.63766	2.2
837.29828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77122	0.4
62.29975	0.5
66.70699	0.5
67.47435	0.4
68.99814	8.4
70.99409	0.4
72.20493	0.5
73.33649	0.4
78.69290	0.4
82.43410	0.6
121.02888	0.8
122.03709	2.3
123.00804	0.9
125.02467	0.9
133.54999	0.5
136.01581	0.5
137.02448	2.7
138.03236	7.9
139.03981	3.8
146.03709	0.6
149.02431	3.0
150.03220	18.6
151.03975	3.7
152.04778	1.1
153.01929	7.2
153.05568	20.7
161.06061	0.7
161.53062	0.6
162.03253	0.7
163.00359	0.6
164.04840	1.0
165.01891	2.0
165.05568	24.4
166.02689	2.3
168.04269	2.3
175.00323	1.2
176.01146	13.4
177.01956	1.0
177.05516	2.6
178.02747	4.9
179.03552	1.1
179.07135	4.1
180.04301	5.7
181.05078	6.9
190.02687	0.7
191.03493	21.8
192.04282	10.5
193.01443	13.1
193.05055	10.5
194.05814	0.7
195.06647	4.3
205.05101	2.5
207.06651	39.4
208.03784	30.9
209.04503	2.8
220.07477	0.6
223.06122	37.7
224.06848	1.9
346.10168	0.5
387.10861	1.2
449.36505	0.6
514.88647	0.6
535.15839	1.1
634.44305	0.6
640.21783	7.2
641.22437	2.1
807.28711	1.0
819.28687	2.6
837.29803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03493	1.0
68.45302	0.9
72.99299	41.7
72.99688	2.1
89.02427	1.5
113.02441	1.2
123.04488	10.3
133.00870	1.1
135.04543	11.5
179.03505	44.4
197.04559	100.0
204.73978	1.3
359.09909	12.6
379.16083	1.4
457.13562	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03493	1.0
68.45302	0.9
72.99299	41.7
72.99688	2.1
89.02427	1.5
113.02441	1.2
123.04488	10.3
133.00870	1.1
135.04543	11.5
179.03505	44.4
197.04559	100.0
204.73978	1.3
359.09909	12.6
379.16083	1.4
457.13562	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	77.1
64.80798	0.6
69.98125	0.6
71.01375	0.8
76.70984	0.6
85.36678	0.6
87.00880	0.6
88.77303	0.6
89.02465	1.1
92.22493	1.3
101.02425	1.5
112.00371	0.7
113.02437	1.0
124.45063	0.6
134.03690	0.8
149.02457	0.8
155.14471	0.7
160.69626	0.6
164.04781	3.8
179.07214	1.0
190.02739	11.2
193.04962	1.1
205.05072	53.2
208.03720	0.8
223.06161	6.2
353.06790	0.6
463.16400	0.8
522.21045	3.0
537.23505	100.0
777.39258	1.1
837.35089	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.5
59.01382	32.0
65.70110	1.0
71.01377	26.9
72.99274	1.1
73.02937	5.8
81.03456	1.0
83.01384	3.9
85.02944	4.2
87.00851	10.4
89.02431	39.9
97.02924	1.9
101.02438	31.7
107.03522	1.0
113.02438	21.3
119.03487	7.5
123.95914	0.9
125.02437	10.2
131.03481	8.0
143.03548	1.8
152.99352	0.8
155.66246	0.9
161.04549	9.3
179.05598	6.1
221.06720	6.2
235.08315	3.3
253.09286	1.6
277.18951	1.7
277.21741	26.1
290.15549	0.9
294.78931	0.9
348.52512	0.9
383.11749	1.8
397.13437	5.7
483.23297	1.0
559.18878	100.0
577.20068	24.2
720.03442	1.1
791.36487	1.0
837.41296	57.9
857.20673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40289	2.3
59.01386	51.7
63.82352	1.9
64.94102	2.1
70.72537	2.0
71.01381	30.7
73.02949	4.6
83.01389	4.4
85.02941	11.6
86.17735	2.3
87.00867	14.7
89.02439	51.6
92.23295	2.5
95.01381	2.9
97.02935	4.4
99.00884	2.5
101.02435	50.6
113.02443	36.1
119.03489	3.9
125.02435	11.2
131.03525	5.6
143.03499	5.5
145.07620	2.2
161.04576	15.7
179.05661	3.6
191.05624	40.0
221.06743	4.0
235.08131	4.9
239.62521	3.2
253.09283	3.7
277.21747	28.8
305.09076	2.7
349.03534	3.1
397.13483	12.4
415.14581	5.6
559.18866	100.0
577.19946	29.7
590.40161	2.8
613.28796	3.0
675.36273	3.1
805.34308	3.6
837.41425	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.5
71.01376	29.0
72.99306	1.4
73.02960	5.3
77.07904	0.6
83.01366	2.9
85.02934	4.9
87.00864	9.0
87.04507	0.8
89.02435	43.0
93.61958	0.7
95.01403	1.1
97.02945	2.8
99.00844	1.2
101.02433	32.4
111.00871	0.9
113.02442	20.9
119.03477	8.1
125.02423	8.3
131.03491	7.3
139.03961	0.8
141.01924	1.0
143.03477	3.5
147.63695	0.8
161.04561	8.0
167.01834	0.6
179.05571	7.1
203.05534	1.2
221.06667	8.2
235.08199	3.9
242.42368	0.7
253.09290	1.1
265.14682	0.7
277.21732	22.7
307.19019	0.9
371.80655	0.8
379.12540	0.9
383.11847	1.5
397.13678	4.8
415.14746	2.7
559.18835	100.0
577.10883	1.2
577.19897	30.8
837.41266	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84790	0.8
59.01109	1.4
59.01382	37.5
71.01379	36.1
72.99337	0.9
73.02928	6.5
81.03429	1.5
83.01371	4.1
85.02936	9.8
87.00851	8.8
89.02436	42.2
94.17139	0.8
95.01373	1.4
97.02927	4.9
99.00881	1.1
101.02438	46.6
102.65640	0.9
113.02437	27.0
119.03476	11.0
119.64474	0.9
125.01644	1.2
125.02435	15.9
131.03526	9.0
131.04489	0.9
133.05087	1.1
139.03909	0.9
143.03456	5.7
161.04561	12.4
166.00737	1.0
172.37094	0.9
179.05598	6.1
203.05565	1.6
209.22983	1.0
221.06590	7.3
235.08324	6.7
253.09265	8.3
277.21741	36.7
287.98196	1.3
358.57602	1.1
397.13705	10.8
415.14484	6.6
559.18823	100.0
577.19861	24.5
675.35620	4.5
837.41193	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	4.9
73.02930	0.7
75.47669	0.3
78.95919	0.3
78.98570	4.9
79.95728	4.9
80.96512	42.5
81.03427	0.7
85.02936	1.9
87.00868	2.0
94.98071	11.0
96.95993	0.5
97.02933	1.5
101.02435	2.5
103.82433	0.4
106.98096	2.7
108.21851	0.4
122.97592	3.0
125.02444	3.8
127.04012	0.5
134.97577	4.2
136.99121	2.3
139.04019	1.8
148.99149	7.8
152.98636	8.2
152.99693	0.7
164.98611	18.6
175.84071	0.3
181.18152	0.4
206.99663	3.8
220.08946	0.5
225.00758	22.7
267.26886	2.2
269.28592	0.6
277.21719	3.7
281.25015	0.4
283.04761	0.5
292.45175	0.4
424.20480	0.4
432.55438	0.4
559.25970	4.4
837.48315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
67.96085	0.5
71.01379	6.5
73.02958	1.8
78.98587	4.8
79.95734	5.0
80.96516	54.7
81.03461	0.7
83.07243	0.4
85.02931	2.7
87.00891	3.5
94.98084	15.1
95.74216	0.5
96.95948	0.9
97.02919	2.4
101.02419	3.3
106.98078	4.3
122.97572	3.5
125.02454	3.5
127.03949	1.0
134.97604	5.8
135.60898	0.5
136.99118	2.6
146.97519	0.5
148.99156	7.7
152.98624	9.6
164.98634	18.1
167.00189	0.6
192.32513	0.5
201.11607	0.5
206.99678	4.0
225.00763	29.0
267.26971	6.6
277.21686	3.9
283.04932	0.6
313.27594	0.6
341.26746	0.6
559.25885	5.9
837.48328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
71.01370	5.8
73.02946	0.9
83.01392	0.9
85.02956	1.2
87.00836	1.6
88.57401	0.8
89.02441	9.1
101.02439	8.5
113.02448	3.7
119.03491	3.5
124.95178	0.8
125.02410	1.2
139.10208	0.9
139.11290	29.0
143.03445	1.1
143.06993	0.9
183.10240	18.8
201.11337	36.8
235.08241	3.3
253.09288	1.5
255.23293	32.3
263.16550	1.7
277.21765	28.7
281.17542	1.3
293.21231	0.9
432.34833	1.0
513.30548	1.7
672.23633	1.3
753.07965	1.0
837.48682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
60.45090	1.7
62.83839	1.8
71.01376	4.0
75.56251	1.7
89.02423	6.6
101.02421	8.2
105.31475	2.2
125.09705	41.6
130.40706	1.8
133.89291	2.0
187.09764	29.9
269.24887	32.5
270.81308	2.1
453.83411	2.1
837.48615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89725	1.3
65.03961	9.6
71.05011	9.9
78.38885	1.2
97.06578	29.9
115.61909	1.2
119.08638	8.2
121.06590	38.6
125.09706	21.1
163.56468	1.4
185.11848	42.3
209.11865	19.9
211.13387	17.7
212.14656	1.4
235.13390	38.4
246.08875	1.4
267.14670	1.3
271.77515	1.5
289.18063	7.2
297.12891	1.7
307.19196	100.0
382.56747	1.4
421.03027	1.8
659.18958	1.5
837.42218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63710	0.8
97.06579	1.1
122.06104	0.8
125.09743	0.9
163.56248	1.1
189.16464	4.0
195.48186	1.1
197.72440	1.1
203.18095	5.6
243.17554	3.9
245.19116	51.8
271.16968	10.7
277.21744	2.1
279.23251	11.4
289.18085	6.7
302.46744	0.9
321.20752	100.0
646.33905	1.2
742.24780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07265	0.4
67.73039	0.3
67.73466	0.3
75.23482	0.3
81.05168	0.3
89.70901	0.3
110.76759	0.3
119.59017	0.3
125.09676	0.8
141.12854	0.4
151.11290	0.8
198.97856	0.4
227.97815	0.4
251.23801	2.1
279.23343	5.0
295.22818	100.0
371.05606	0.4
450.81134	0.4
494.22800	0.4
837.47119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68263	1.0
59.01382	100.0
69.81670	1.5
71.01385	1.9
96.95983	1.4
98.09010	1.5
101.02421	1.1
115.04008	2.7
153.01927	35.6
153.16061	1.2
161.04552	2.6
168.04280	91.9
173.00549	1.2
177.07845	1.3
183.06636	50.2
193.81552	1.3
234.68292	1.2
274.08713	6.8
304.09711	1.4
305.06848	1.9
345.11978	8.2
450.15674	29.7
464.18677	1.6
492.17014	1.9
503.17599	7.0
728.24060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
59.74937	0.2
68.99812	0.4
71.72826	0.3
85.02937	0.3
98.54047	0.3
101.02432	0.3
138.03163	0.3
150.03197	1.5
153.02010	0.3
153.05582	1.8
161.02260	0.3
163.06175	0.3
163.51653	0.2
165.05585	2.1
176.01132	1.4
180.04251	0.6
191.03561	2.4
192.04295	1.2
193.01434	1.0
193.05121	1.1
195.06641	0.5
207.06621	3.6
208.03836	2.9
208.07463	0.3
223.06194	2.9
228.62828	0.3
268.03809	17.8
283.06149	100.0
284.31631	0.3
293.90405	0.3
367.02625	0.3
383.74002	0.3
476.82306	0.3
485.58200	0.3
591.17377	1.1
640.04126	0.4
642.23309	0.4
702.86523	0.3
719.21924	7.2
737.23151	13.7
779.09979	0.5
779.24207	16.2
790.76563	0.3
839.31268	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54560	0.2
63.95245	0.2
65.29230	0.2
71.01368	1.2
73.02932	0.4
83.01384	0.2
85.02929	1.2
93.03361	0.2
95.01389	0.2
101.02419	0.9
108.02160	19.3
109.02944	12.6
113.02425	0.9
121.02912	0.5
123.04523	0.5
142.42900	0.2
151.04033	1.9
152.01151	49.3
153.01935	26.1
163.04016	1.4
165.01918	2.4
169.27539	0.2
170.57133	0.2
181.05040	0.2
193.05110	0.3
195.03075	0.3
207.02954	0.2
225.04083	0.4
315.07254	100.0
386.23035	0.2
583.75244	0.3
695.34753	0.2
779.07654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02570	0.3
65.59457	0.3
68.06960	0.3
71.01366	1.4
73.02979	0.4
82.64233	0.3
85.02946	0.6
99.25021	0.3
101.02409	0.6
108.02163	17.8
109.02192	0.5
109.02943	12.4
113.02431	0.7
121.03022	1.0
123.04532	0.6
130.61913	0.3
137.02518	0.4
148.32790	0.3
151.04018	2.2
152.01151	46.0
153.01936	24.5
153.03215	0.4
163.03979	1.8
165.01912	1.4
267.10602	0.3
293.90131	0.4
315.07260	100.0
436.63348	0.3
654.53369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01847	0.8
84.92828	0.8
93.12926	1.0
109.02948	23.1
120.30537	0.9
121.02932	4.6
125.02408	1.5
136.01712	1.1
137.02438	28.9
147.08145	1.2
161.02469	1.5
163.00349	6.9
164.82614	1.1
173.06018	1.1
173.59395	0.9
191.07133	11.2
199.76540	1.0
200.67381	1.1
201.09251	1.6
217.05080	1.4
225.88153	1.0
227.07100	9.2
229.08646	1.4
231.06682	3.8
243.06619	34.4
245.11824	4.8
255.06625	7.0
256.07504	6.8
269.08057	1.5
284.03430	1.8
296.03275	5.6
297.04071	4.5
297.11365	54.4
309.11319	5.5
321.07764	1.2
321.11209	1.4
335.05539	1.7
339.35861	1.1
350.07843	2.1
351.16061	24.5
353.10229	4.3
363.15936	6.8
365.10345	53.0
374.28763	1.0
389.10416	1.5
401.10260	3.8
403.12024	1.0
419.15094	43.1
473.19601	7.1
485.19955	1.6
756.89282	1.0
839.30811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74663	1.4
62.89509	1.5
70.91741	1.5
88.18596	1.6
104.28357	1.5
109.64917	1.6
121.02998	1.9
122.03709	3.4
137.02448	2.2
137.97668	1.8
140.30405	1.5
149.02438	7.5
150.03226	65.5
151.04042	8.6
164.04782	3.1
165.01915	34.1
165.05563	100.0
166.02722	8.5
179.03467	9.9
180.04294	65.0
181.05087	23.1
182.86104	1.8
193.05022	2.2
194.05882	7.1
195.06648	98.9
205.08841	2.2
210.05322	13.1
225.07681	22.3
283.06125	1.9
387.10452	2.5
387.14975	2.5
406.05692	2.2
417.15561	3.6
565.19635	2.1
595.22028	10.4
613.23627	11.5
643.23999	7.4
664.79791	1.9
667.24921	2.3
791.29187	15.0
821.30286	3.4
839.31378	68.2
839.46838	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11753	3.7
63.80451	3.2
64.51627	4.0
70.72362	3.6
73.71371	3.6
74.76913	3.4
111.29875	3.6
137.02411	5.2
149.02467	7.5
150.03204	60.6
151.04028	18.6
152.04794	5.2
164.04800	7.2
165.01970	41.0
165.05594	100.0
166.02750	5.1
167.03300	4.1
179.03502	20.1
180.04263	68.2
181.05080	38.5
191.03520	4.6
194.05974	4.4
195.06651	85.2
203.35271	4.1
210.05397	18.8
220.65143	3.8
222.17574	4.3
223.06215	5.6
225.07657	22.5
306.57306	3.9
422.14282	4.0
565.20190	5.3
627.86761	5.2
643.23926	5.6
791.29297	16.1
821.30298	4.6
839.31677	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57847	1.5
60.91091	1.4
60.92356	1.5
68.19218	1.6
68.99789	4.2
69.73196	1.9
79.30888	1.8
123.00854	2.1
134.03703	3.0
137.02420	2.6
150.03224	15.3
151.04028	1.9
153.01909	8.0
153.05600	20.3
154.21407	1.8
161.19792	1.6
163.03935	2.0
164.04794	2.8
165.05571	20.1
168.04391	2.5
176.01111	11.5
177.05573	2.6
178.02670	4.1
179.03391	3.2
180.04230	8.3
191.03546	25.2
192.04306	7.5
193.01375	8.9
193.05025	11.4
195.06555	9.9
205.05009	4.2
207.06648	44.1
208.03773	24.5
223.06099	37.5
300.45212	2.0
375.20065	2.0
377.38147	1.9
438.03030	2.0
513.13226	1.8
642.22931	10.4
839.31305	100.0
874.67474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.3
63.47316	0.6
66.40857	0.6
69.39152	0.6
71.01376	26.3
72.99288	0.8
73.02930	6.1
79.65377	0.6
81.03457	0.8
83.01362	3.9
85.02940	6.2
87.00867	10.3
89.02438	42.8
91.03998	0.8
95.01352	1.3
97.02932	3.8
99.00855	1.1
101.01774	1.2
101.02436	32.9
113.02438	22.4
119.03491	10.2
125.02450	8.0
131.02739	0.5
131.03519	7.6
141.01984	0.8
143.03482	3.5
149.04546	0.8
149.11714	0.6
161.04549	8.8
171.10202	1.1
176.63548	0.7
179.05627	6.3
203.05675	1.5
221.06650	9.6
235.08223	5.1
253.09300	1.4
279.23291	31.1
293.21204	3.5
323.10092	0.8
327.21823	1.6
379.12289	1.1
383.12009	1.3
397.13483	3.4
415.14453	1.4
439.14746	0.7
485.15305	0.8
559.18842	100.0
577.19916	27.5
839.42822	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84747	0.7
59.01382	39.4
66.81790	0.7
71.01012	1.8
71.01374	31.8
72.99287	1.4
73.02932	5.1
83.01384	4.9
85.02954	7.4
85.44779	0.9
87.00870	10.8
89.01875	1.6
89.02436	48.7
95.01376	1.7
97.02931	2.1
99.00858	1.4
101.02436	39.7
113.02435	25.1
119.03497	10.5
125.02444	9.2
131.03506	6.8
139.73730	0.9
143.03477	3.8
161.04567	9.9
179.05595	7.9
203.05522	1.0
221.06705	8.4
235.08237	4.2
253.09245	1.4
279.23328	31.4
284.12775	1.0
284.15869	0.9
321.00623	0.9
326.11136	1.0
343.95090	0.9
383.11871	2.0
397.13602	3.8
559.18854	100.0
577.19922	24.2
839.42847	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.5
69.03461	1.1
71.01375	32.4
73.02938	6.6
76.93763	0.8
80.05742	0.9
83.01382	6.2
85.02936	4.7
87.00863	9.3
88.15663	0.9
89.02440	38.1
95.01364	1.9
97.02951	4.5
101.01770	1.7
101.02434	39.8
103.36729	0.9
113.02422	22.4
119.03459	9.5
125.02438	11.7
131.03477	5.6
133.05028	1.9
143.03474	5.1
161.04543	12.4
179.05644	6.4
221.06680	6.4
235.08202	5.8
253.09288	7.1
279.23318	46.7
323.09906	1.5
397.13467	12.2
415.14877	6.5
494.16492	1.0
559.18842	100.0
569.87390	1.1
577.19891	27.9
593.04926	1.0
624.64954	1.1
677.37701	3.9
791.22656	1.1
839.42963	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.6
59.01384	38.0
59.74810	1.1
61.97601	1.3
62.38031	1.0
69.03438	1.5
71.01373	34.3
71.01733	2.1
72.99274	1.0
73.02939	7.7
76.59189	1.2
78.95883	1.9
81.03460	1.4
82.31950	1.2
83.01395	4.9
85.02966	9.9
87.00885	10.0
87.45752	1.1
89.02440	42.0
95.01398	1.9
97.02936	1.3
99.00874	1.9
101.02435	47.4
113.02444	26.3
119.03461	9.9
125.02419	15.2
131.03488	6.6
133.05040	1.4
143.03456	4.8
152.99570	6.9
161.04588	14.1
179.05626	5.4
191.05571	5.9
196.05956	1.4
204.28116	1.4
210.49249	1.3
221.06665	7.5
235.08273	7.5
247.95438	1.1
253.09285	5.0
259.39288	1.7
279.23331	43.9
371.78128	1.3
383.11749	1.6
397.13452	9.8
405.85413	1.5
415.14700	2.7
431.22128	2.0
432.20270	1.3
473.23892	1.5
559.18854	100.0
577.19824	30.7
677.37921	3.0
779.46149	22.0
839.42950	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	6.6
75.64057	1.4
78.98579	6.9
79.88473	1.3
79.95735	3.4
80.96512	50.1
85.02953	2.1
94.98090	12.8
106.98085	2.4
109.00630	1.6
125.02402	2.8
134.97604	2.3
148.99127	7.6
152.98625	7.2
164.98631	14.4
206.99670	6.4
225.00731	28.2
321.68454	1.7
540.34851	1.8
559.25482	2.6
839.49835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98827	3.5
63.22165	0.8
107.08686	3.6
125.09746	3.4
135.65993	0.9
137.09779	0.8
155.10817	1.2
171.10262	3.4
181.12392	3.7
183.10275	19.5
183.13940	3.5
195.13907	9.0
209.11862	3.5
211.13420	0.8
221.15425	8.1
236.79834	0.8
239.16554	30.5
251.16638	0.9
253.09325	3.4
273.18683	1.9
289.18149	1.5
290.18536	1.2
291.19717	15.4
293.21310	5.7
305.61978	0.8
309.20755	100.0
353.78778	0.9
529.30322	4.5
633.27460	1.0
638.98358	0.8
839.43396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
63.10696	0.4
71.05016	1.8
87.04492	0.6
99.04483	0.5
103.02036	0.4
107.08649	0.5
121.10229	0.8
136.08456	0.4
171.10249	2.4
183.10231	1.7
185.11902	0.4
189.16499	0.6
195.13887	8.0
207.13879	2.8
207.17572	4.9
209.15428	0.7
211.13370	0.5
221.15460	3.4
223.17027	21.0
229.19666	0.5
233.15482	12.5
235.17052	1.9
247.20682	0.6
251.16544	51.7
253.09146	0.9
273.18661	1.6
275.20248	1.7
291.19696	11.8
293.21313	2.3
307.18396	0.5
309.20740	100.0
351.05087	0.4
391.54001	0.4
529.30365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.05042	0.9
65.76324	0.9
71.01385	2.7
72.58872	1.1
75.00868	1.0
85.02943	1.5
86.49902	1.2
87.25413	1.0
97.02945	5.7
101.02407	2.5
113.02444	2.1
113.40154	1.1
115.04001	5.8
127.88152	1.0
147.35780	1.2
161.04552	4.6
184.50200	1.2
232.33209	1.2
290.11978	5.9
306.07785	2.4
321.10056	9.5
331.17654	18.5
336.12436	11.4
466.18765	26.3
489.23483	23.8
682.32465	10.8
747.71338	1.4
793.62518	1.3
804.27869	2.0
840.38312	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63198	0.3
63.60271	0.4
68.26060	0.4
74.89381	0.3
91.87100	0.4
93.03481	0.5
100.14899	0.4
101.02499	0.5
111.04501	1.7
116.93169	0.4
119.05016	27.9
130.09283	0.4
135.04514	0.6
155.03519	3.2
160.01639	0.4
163.04012	100.0
173.04562	4.8
179.03415	0.9
191.05621	10.9
203.71739	0.5
230.11736	0.5
273.12463	0.7
287.09204	0.6
335.12381	0.5
337.09348	42.1
339.08865	0.5
342.58084	0.4
353.08978	0.8
491.76849	0.5
573.81104	0.5
613.44501	0.4
841.25421	3.5
843.24335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.99313	0.7
63.39857	0.5
67.01876	1.1
69.03455	0.6
71.01381	2.1
81.83230	0.5
85.02934	0.5
87.00874	3.0
92.35739	0.5
93.03455	16.8
93.76292	0.5
101.02474	0.6
103.11353	0.5
108.50317	0.5
111.04514	4.4
113.02408	0.5
119.05005	6.9
127.04115	0.5
128.08490	0.5
137.02419	4.6
137.06094	0.6
151.52728	0.5
155.03476	4.1
163.04008	20.4
173.04559	100.0
179.03551	1.1
185.21494	0.5
191.05635	57.7
193.05069	4.9
259.88342	0.5
307.13959	0.6
337.09348	43.3
367.10413	26.1
542.86078	0.6
604.41211	0.6
701.47839	0.6
841.35901	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
88.73392	2.0
95.11436	1.7
133.02950	3.5
134.03716	7.8
147.04419	2.5
149.02521	5.9
150.03210	26.1
160.01636	13.1
161.02377	4.7
164.04761	13.1
165.05559	28.4
175.03990	42.1
177.01834	3.0
190.02742	35.9
191.03497	4.8
193.05029	11.6
195.06631	4.2
205.05057	49.1
223.06142	10.5
267.27545	2.1
268.73517	2.3
502.14642	2.0
505.17966	2.1
527.58490	2.0
635.23480	3.2
645.22205	39.3
841.29279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	0.6
59.01378	12.2
60.50637	0.6
67.07704	0.7
68.99810	11.2
71.01382	7.1
72.99260	0.8
81.02668	0.7
85.02938	1.7
89.02453	7.4
92.22508	1.7
97.02912	1.0
101.02454	6.7
108.01604	0.7
108.02160	10.1
109.02941	1.7
113.02429	1.6
115.04003	6.2
116.92850	1.4
119.03445	3.2
123.00857	8.2
123.04515	19.8
131.04651	0.8
132.02155	1.2
138.03181	3.0
147.04482	1.6
150.03224	8.8
161.02444	11.5
162.03186	9.3
163.04012	11.2
164.04752	4.2
165.05539	4.8
175.04019	1.2
177.05566	52.6
178.02719	32.9
179.03433	3.8
193.05058	59.6
194.05840	1.7
195.06551	1.3
245.40187	0.9
324.09979	3.9
339.12183	3.4
361.12802	1.6
399.71887	1.0
474.74445	0.8
478.17108	0.9
487.40097	0.9
547.89526	0.8
743.25653	100.0
841.29199	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04611	0.5
68.22392	0.6
72.00902	0.5
96.00925	0.9
97.04073	0.8
98.02488	0.5
98.15694	0.5
99.05630	3.6
109.01685	0.8
113.03562	8.1
118.06629	1.1
126.04389	3.6
139.05157	0.5
141.06618	0.7
147.04517	11.6
148.07671	0.9
150.05357	0.5
164.07176	100.0
175.08720	4.5
181.06180	3.7
196.07347	2.1
197.04547	1.1
199.08806	1.2
200.07169	3.3
217.09822	10.2
238.08174	0.5
244.03880	0.5
244.06090	3.5
261.08826	9.5
278.11465	1.1
284.64377	0.5
359.10062	0.5
361.15155	5.1
481.19452	91.1
695.34094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.8
60.57426	1.7
65.57265	2.1
66.69116	1.9
69.52712	1.8
72.35645	2.2
79.85976	2.1
101.02403	2.2
113.02408	3.0
119.03535	2.0
134.03740	77.0
136.01627	3.7
137.02460	2.2
146.33000	2.0
148.05272	3.4
149.06078	100.0
153.05565	3.2
164.63855	2.3
165.05533	3.5
175.03969	5.3
192.04271	14.2
193.05075	21.8
207.06769	3.5
223.06059	2.8
263.11606	3.1
377.14484	21.3
403.14008	93.4
539.00189	2.3
571.20349	10.6
781.28998	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
61.78433	2.0
65.66228	2.2
68.95988	2.4
68.96399	2.5
71.01368	3.2
71.17992	2.4
81.43433	2.1
94.11624	2.0
101.02502	3.3
113.02427	2.7
114.03841	2.4
134.03740	81.6
136.01631	5.9
148.05305	4.1
149.06065	100.0
149.07202	5.2
153.05598	4.5
165.05574	3.9
175.04001	5.5
179.49698	2.4
192.04301	13.3
193.03595	2.4
193.05060	23.0
207.06671	2.6
207.44482	2.4
306.20688	2.7
318.36563	2.7
342.60684	2.9
377.14590	18.1
403.14038	94.6
571.20178	12.0
643.23230	2.6
781.29089	23.7
841.30768	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
65.45992	1.1
68.78937	1.1
71.01360	1.7
89.29819	1.1
92.22478	2.3
97.58758	1.0
101.02450	1.2
122.03715	6.1
136.59415	1.3
137.70689	1.2
149.02461	16.2
150.03217	62.6
151.54289	1.1
161.02441	2.5
164.04765	7.8
165.05568	82.5
175.04019	2.4
176.04730	1.4
179.03543	1.6
179.07016	1.6
180.04274	13.4
181.05054	7.2
190.02705	1.6
192.04292	2.8
195.06656	27.2
196.07440	13.9
205.05070	2.5
207.06601	2.7
210.05273	2.2
211.09727	8.2
225.07735	5.8
285.07782	2.9
300.06537	2.0
300.10028	7.1
301.07034	2.7
301.53696	1.3
306.52377	1.4
315.08771	50.7
316.09393	3.0
325.07016	2.3
330.11102	34.8
331.11884	1.6
355.11942	2.7
361.12933	32.1
373.12961	2.6
376.61383	1.6
449.12344	2.0
656.05566	1.6
793.30914	32.3
841.32928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.9
62.74922	2.3
63.84798	2.2
86.20028	2.4
137.02444	3.1
137.66454	2.5
138.03262	3.3
143.16182	2.6
149.02441	3.4
150.03230	39.0
151.04083	4.2
153.05577	5.2
155.14642	2.9
165.01909	38.4
165.05563	62.2
175.03989	3.2
177.05588	3.8
179.03491	12.5
179.07135	3.2
180.04301	59.2
181.05040	3.2
190.06335	12.0
191.03514	5.6
192.04431	3.5
193.05130	11.4
194.05780	11.6
195.06656	80.9
205.08742	6.0
207.06648	26.9
208.03754	14.6
208.07442	20.0
210.05322	15.7
222.08942	6.6
223.06096	17.9
225.07704	20.1
235.93579	3.7
335.15588	3.2
359.15106	15.4
389.16098	6.6
403.13736	4.5
451.16107	6.1
567.22156	3.4
585.98181	3.2
615.24634	16.4
670.75000	3.1
793.30865	17.1
841.32819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22232	1.6
77.02267	1.8
83.14094	1.8
90.28564	1.6
115.64171	1.6
122.03761	2.0
136.01637	7.3
137.02390	7.7
138.03302	1.8
146.03735	2.0
149.02444	9.1
149.06038	2.6
150.03220	57.4
151.03987	20.5
153.98479	1.9
162.03241	3.3
163.03943	3.2
164.04747	7.7
165.01923	43.7
165.05565	79.6
166.02692	3.9
177.05533	3.6
179.03481	14.3
179.46458	1.7
180.04282	85.7
181.05028	26.2
193.05055	3.0
194.05902	16.1
195.06638	97.5
195.11789	1.8
205.08714	3.4
206.05679	2.4
207.06599	8.4
208.07442	7.0
209.08209	3.6
210.05371	18.9
222.08958	8.2
225.07690	18.6
290.36349	1.7
300.81851	1.7
300.94629	1.8
319.17648	1.7
336.09814	1.8
343.11502	2.1
343.21246	7.8
344.12534	7.4
374.13708	2.4
375.14755	1.9
389.16019	11.3
403.14069	3.1
430.18576	2.0
509.27634	1.9
521.17944	2.0
537.21106	2.3
552.20483	2.3
567.21820	9.0
585.23792	3.7
597.23578	2.0
614.23907	4.1
615.24884	13.9
643.23584	2.8
644.24469	3.8
645.25543	11.2
745.28400	7.8
793.31061	24.7
822.06262	2.2
823.32300	13.0
841.32941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.9
59.01377	38.6
59.39817	1.2
68.46481	1.3
71.01013	1.7
71.01377	31.5
73.02934	6.1
74.24530	1.2
83.01389	1.6
85.02925	5.8
87.00861	8.4
89.02434	47.8
95.01377	1.9
97.02949	2.5
101.02435	35.2
113.02440	22.6
119.03500	9.2
125.02425	9.2
131.03477	8.8
133.05058	1.4
143.03523	5.4
149.04593	1.9
161.04533	8.8
179.05530	4.8
203.05725	1.6
221.06676	6.8
235.08325	5.1
253.09308	2.2
256.67154	1.4
256.69852	1.4
257.00485	1.6
261.17941	1.4
281.24860	39.1
325.18637	2.4
327.18384	5.7
347.12585	1.4
383.12228	1.6
397.13571	5.7
403.09311	1.6
559.18829	100.0
577.20026	24.0
841.44391	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92044	2.3
59.01386	37.6
71.01370	38.6
73.02940	7.3
83.01382	4.1
85.02927	5.1
87.00871	13.2
89.02450	56.1
101.02443	48.7
113.02415	23.1
119.03482	15.0
125.02431	6.9
131.03500	2.9
143.03398	4.5
161.04591	17.1
174.06851	3.5
179.05602	3.6
181.14980	3.4
221.06648	6.4
235.08186	4.2
253.09367	14.4
281.24863	57.0
291.20346	3.2
295.22781	13.5
296.23132	4.5
397.13528	13.5
415.14377	4.3
559.18854	95.7
577.19702	36.1
679.39661	4.0
841.44360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10594	0.4
100.80777	0.4
110.32365	0.5
157.08678	0.5
167.14447	0.5
211.13309	0.6
223.20677	2.2
249.18616	5.7
262.22281	0.4
267.19681	100.0
275.16531	4.5
293.17657	34.0
293.21078	2.8
309.20633	0.7
311.18704	81.1
311.22113	4.7
603.43854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
71.05006	1.4
82.18057	1.1
89.02464	1.5
92.23202	1.4
111.08144	2.1
119.08656	2.4
124.70187	1.0
131.52049	1.1
137.09724	6.2
162.28273	0.9
171.10266	18.8
183.43137	1.2
185.11813	4.7
193.12282	1.1
195.13860	2.1
197.11829	7.3
197.15453	1.3
201.11368	1.5
207.13951	4.2
209.15485	18.4
211.13499	4.2
223.16989	4.1
225.14977	19.0
232.20674	1.1
233.15497	1.7
251.16498	6.9
253.09190	2.5
254.13623	1.0
271.21042	1.0
273.18576	1.7
277.21756	6.9
291.19778	12.8
295.22803	17.9
309.20761	100.0
477.97028	1.1
498.73056	1.1
531.31738	10.2
761.84399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
69.03434	0.8
82.95755	0.9
87.30336	0.9
92.22392	0.8
107.08612	0.9
114.02563	0.7
119.08653	4.5
123.94921	0.8
125.09736	2.0
129.13737	0.9
134.13820	0.8
137.09721	12.0
155.10782	1.0
159.35976	0.8
171.10274	29.4
173.85956	0.9
183.10225	2.1
185.11847	12.5
187.09674	1.0
195.13887	4.3
197.11906	1.9
197.50188	0.9
201.11299	1.6
209.15436	1.2
211.13528	1.2
213.11407	2.0
225.14958	1.1
233.15285	1.0
237.15141	1.3
251.16487	4.5
253.09247	8.4
273.18594	3.6
277.21698	2.1
291.19724	15.3
293.21356	1.3
295.22806	22.2
309.20749	100.0
322.42697	1.0
355.20041	1.0
510.81931	1.1
531.31628	5.9
684.97211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
59.75305	0.4
65.18134	0.4
67.97624	0.4
71.01379	2.6
79.85033	0.5
83.05019	0.6
85.02949	0.8
87.01404	0.4
93.03458	0.8
95.05023	0.5
101.02425	1.0
111.04512	2.0
113.02444	2.5
126.64946	0.4
139.04024	5.7
279.23315	100.0
293.25046	0.8
301.21710	10.5
321.24747	0.7
377.27173	4.1
391.28519	9.8
419.28238	6.8
449.29391	0.9
511.88809	0.5
589.43213	0.5
674.04865	0.6
681.25220	0.6
716.94684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50878	0.7
58.73511	0.6
80.96518	3.3
82.96130	0.7
129.35295	0.8
142.56053	0.7
148.99075	0.8
267.26950	100.0
269.28516	25.0
287.29675	1.2
313.27475	9.2
341.27011	9.9
464.97534	0.8
499.36096	0.8
841.50751	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39926	0.4
60.83689	0.4
67.01896	1.0
67.91384	0.4
69.03442	0.3
71.01375	1.6
93.03447	10.7
102.11243	0.3
103.16137	0.4
111.00882	0.7
111.04495	2.4
118.61104	0.4
134.03723	8.6
137.02451	4.8
149.06078	1.6
155.03464	4.1
160.09723	0.4
173.04547	100.0
191.05659	5.3
193.05061	17.8
272.55420	0.5
352.60123	0.4
367.10361	54.5
483.07819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
66.97362	0.6
67.36517	0.7
67.50020	0.7
71.01382	4.9
75.51405	0.6
84.39419	0.8
85.02948	1.2
93.03460	9.6
101.02480	1.1
111.04498	1.8
113.02460	1.0
119.05029	22.4
127.90633	0.8
132.05771	0.8
135.04529	15.9
137.02422	1.5
155.03517	3.2
161.02438	1.6
163.02641	1.7
163.04015	40.2
173.04547	45.9
177.05583	12.8
179.03508	34.3
191.05626	32.5
210.06911	7.8
211.07666	68.4
235.57214	0.8
237.09215	3.8
239.10783	18.1
257.08151	1.0
287.09186	1.7
295.37216	0.8
339.38687	0.8
353.08838	49.3
373.12964	3.5
404.00531	0.9
489.14084	100.0
634.84912	0.9
730.89740	1.1
843.25330	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04129	0.3
72.99310	41.8
90.36059	0.3
110.61696	0.4
123.04534	9.2
135.04543	11.0
151.04118	0.6
159.89143	0.5
179.03517	48.8
191.05663	1.9
197.04579	100.0
239.05562	0.5
288.06787	0.4
341.08868	0.5
359.05835	0.8
359.09924	13.8
457.13626	73.2
472.28174	0.4
515.18762	0.4
541.69678	0.4
713.67914	0.5
773.60022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
85.02959	0.4
87.00897	0.2
93.03429	0.3
127.03976	0.2
135.04517	0.3
161.02423	1.7
173.04456	0.5
173.17136	0.2
179.03554	0.9
191.05634	100.0
240.95311	0.1
269.09601	0.2
287.09302	0.7
321.30740	0.2
350.48505	0.2
353.08838	25.3
695.83380	0.2
720.48297	0.2
843.25250	0.4
852.04150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
71.01380	5.2
73.67054	1.2
75.70679	1.1
88.98785	1.5
89.02454	1.9
92.23087	2.2
101.02416	1.4
113.02415	1.3
115.00391	14.0
133.01445	29.8
151.04008	1.1
165.05475	1.5
170.97012	1.3
191.03334	2.1
205.05009	2.7
250.28862	1.3
329.23297	1.6
469.17026	5.5
561.19836	6.0
567.20520	1.6
763.29352	1.4
793.29095	6.7
843.28381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33214	1.3
92.10306	1.4
92.23106	2.7
97.54220	1.6
103.84555	1.5
108.25928	1.6
148.20500	1.5
149.73193	1.6
163.38330	1.5
180.24635	1.7
182.55026	1.6
191.03539	2.4
198.33110	1.6
214.56128	1.7
221.75298	1.4
240.24165	1.5
468.75668	2.3
469.17148	8.5
695.25690	8.1
789.18835	1.9
843.28577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66744	1.6
71.01362	1.8
155.79437	2.0
180.21185	1.9
284.84216	1.9
285.03784	2.0
469.17206	16.6
540.45319	2.1
611.22113	2.2
695.25452	3.0
716.20374	2.3
843.28534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.77134	0.5
61.02957	0.9
62.18426	0.5
71.01376	8.1
72.99293	2.0
87.00885	0.7
89.02452	2.2
92.22493	0.7
115.00360	40.8
132.03079	1.0
133.01427	100.0
133.05081	4.8
147.85269	0.5
201.76831	0.6
214.06850	0.6
214.51207	0.6
254.50940	0.5
362.27219	0.5
675.95795	0.6
734.36365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42000	1.2
67.41989	1.3
78.23571	1.3
121.02901	2.3
122.03714	2.4
138.18367	1.4
149.02408	6.9
150.02109	2.4
150.03220	42.5
164.04785	3.5
165.04234	3.0
165.05557	64.8
180.04326	3.1
195.06645	12.7
255.94252	1.6
256.07434	1.7
295.09647	1.9
309.07767	1.6
309.11285	7.0
323.05493	2.9
337.07086	1.9
338.07953	3.5
339.08615	1.8
353.10355	15.2
368.08997	8.7
383.11340	5.4
519.16577	1.6
531.16656	1.9
583.18219	6.1
586.16473	2.0
587.17767	3.2
599.17358	7.4
601.19141	7.0
617.22424	7.9
629.22717	20.6
647.23096	7.9
795.29047	7.6
825.29254	5.6
843.30829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.8
61.58816	1.4
68.99798	1.5
71.01370	16.0
72.99277	1.9
85.02953	6.7
89.02397	13.5
92.22565	2.7
96.95996	1.9
101.02441	8.9
113.02475	6.7
119.03493	6.8
122.03731	3.1
126.51778	2.2
142.53175	1.7
149.02394	3.4
150.03242	35.6
161.04590	2.1
165.05569	64.0
180.04222	4.1
193.05099	1.9
195.06654	10.2
233.61012	1.6
266.00818	1.7
309.07822	2.9
324.10013	3.4
339.12506	7.0
402.85791	2.4
505.17929	1.9
531.18365	2.3
583.22180	6.6
697.25317	25.4
745.27350	100.0
843.38232	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72713	0.7
59.01376	1.4
73.24422	0.7
83.06309	0.8
84.73852	0.9
91.30940	0.8
99.84187	1.0
101.02444	1.3
113.02385	1.2
122.03696	2.1
149.02425	5.2
150.03224	39.6
151.04034	1.2
164.04782	3.5
165.05568	55.2
180.04272	6.4
184.60863	0.9
195.06657	13.2
205.04936	1.2
206.05867	2.1
207.06630	1.6
223.06248	1.0
272.36917	0.9
285.12408	0.9
292.07428	1.0
293.08231	1.2
295.09979	1.9
309.07687	3.4
309.11371	5.0
323.05582	3.4
324.10077	1.3
337.07202	1.7
338.07938	5.7
339.08777	1.5
350.07999	1.6
353.06866	1.0
353.10367	13.1
356.09131	1.7
365.10236	1.2
368.09000	2.0
383.11511	4.5
460.15018	1.1
475.17709	1.6
486.13300	4.1
501.15628	11.0
519.16693	1.2
531.16876	1.7
582.17084	1.4
583.18274	8.6
586.17047	1.6
587.18585	3.0
599.17627	6.1
601.19092	8.9
616.21844	1.7
617.22626	4.6
629.22644	12.8
647.23645	4.5
650.12695	1.1
765.27728	4.8
795.28998	25.1
813.29785	4.2
825.30701	1.5
843.30939	100.0
879.47900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.3
98.83454	0.6
108.62224	0.6
121.02917	3.5
121.52451	0.6
128.05600	0.6
140.90065	0.7
142.18562	0.7
156.45024	0.7
187.65729	0.8
209.04529	2.7
209.11862	27.8
268.03793	14.2
283.06140	100.0
352.98694	0.7
469.47345	0.8
843.32666	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.26873	0.6
61.98816	1.3
70.40449	0.6
71.01369	1.0
79.07337	0.8
84.67014	0.7
101.02431	1.4
102.51790	0.7
104.57852	0.7
106.70188	0.7
113.02435	1.2
113.22633	0.7
122.03735	3.6
133.02879	1.0
135.04457	0.9
136.01753	0.8
144.71025	0.8
149.02452	6.2
150.03220	47.2
151.03979	1.8
158.86012	0.7
164.04776	4.3
165.01944	3.2
165.05566	71.8
167.07320	0.7
179.03452	0.8
180.04283	12.5
181.05061	3.1
195.06624	21.4
197.49138	0.7
205.05054	2.9
205.18947	1.0
206.05891	1.4
207.06656	1.3
210.05296	0.8
217.04936	0.9
225.07674	1.3
292.07379	1.8
295.06461	1.0
295.09796	1.7
297.07715	1.2
298.08279	1.0
307.06311	1.0
307.09531	1.2
309.07813	1.5
309.11307	3.1
312.10156	1.4
323.05618	4.1
324.10019	1.1
331.11783	1.0
333.07693	1.5
335.05270	1.2
335.09293	1.2
337.07217	3.8
338.07959	5.3
339.08636	1.6
350.08063	1.4
352.09662	1.9
353.06882	1.6
353.10443	15.0
361.12936	0.9
365.10425	1.3
368.09070	3.2
371.11279	2.8
376.15244	1.9
383.11484	4.6
391.17587	1.8
431.14926	0.8
451.16193	3.0
458.64758	0.8
459.14346	1.0
460.15439	1.4
471.10489	1.0
475.18021	1.3
481.17709	1.4
486.13385	6.4
501.15686	13.0
519.16724	3.8
531.16980	1.1
532.88745	0.9
583.17883	7.1
586.17084	1.8
587.17773	1.4
597.19550	1.0
599.17841	4.0
601.19385	10.9
616.21930	1.3
617.22705	6.1
629.22473	17.7
647.23688	5.1
765.27411	5.3
777.28217	1.4
795.28748	24.7
813.29688	6.6
825.29816	1.7
843.30890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87202	0.5
69.40160	0.5
69.67419	0.5
72.99302	34.0
73.42919	0.6
85.02928	0.7
101.02406	0.5
111.35218	0.5
115.04008	0.8
123.04517	6.5
124.03997	1.1
135.04509	8.3
151.03981	0.9
175.64587	0.5
179.02184	0.8
179.03496	41.1
197.04561	100.0
270.27353	0.7
286.02615	0.6
306.08081	0.7
359.09866	9.8
457.13583	76.2
504.89554	0.8
619.26398	0.6
830.27173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.345
Annotation	zinc tetramesitylporphyrin
Peak:m/z	Relative Intensity
63.59806	1.9
71.01362	2.1
73.26929	1.8
134.03677	3.0
136.01744	2.8
137.02484	2.6
137.93135	2.0
149.02477	4.8
149.06067	9.0
150.03218	49.1
151.03989	14.5
164.04788	9.7
165.01917	39.2
165.05557	67.1
177.05511	2.5
179.03505	13.5
179.07138	13.1
180.04263	66.6
181.05031	18.7
194.05841	13.2
195.06627	100.0
209.08189	9.1
210.05353	13.3
225.07744	14.4
243.50902	1.8
375.14481	2.5
385.11508	2.8
406.16388	16.0
407.17407	2.3
421.18512	13.2
569.24127	8.3
599.24988	10.7
616.25665	9.5
617.25885	13.3
647.27069	9.9
747.30786	3.6
777.31232	4.1
795.32379	21.5
825.33636	9.8
843.34534	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
87.86766	3.4
113.02456	3.6
121.19408	3.8
122.03786	4.4
143.14832	3.7
149.02451	6.0
149.06042	5.4
150.03200	45.6
151.04019	12.7
151.77884	3.4
164.04829	5.0
164.12871	3.7
165.01932	31.4
165.05591	61.9
168.00507	3.4
177.05589	5.3
179.03485	8.6
180.04288	56.4
181.05055	19.7
195.04875	3.5
195.06647	92.7
209.08102	4.8
210.05373	6.3
225.07693	15.5
248.45169	3.3
255.06712	4.4
270.09186	4.2
270.50287	4.5
271.09726	4.9
276.84854	3.8
329.23233	7.5
361.13046	4.9
376.15164	4.7
391.18048	4.8
406.16479	7.7
421.18597	13.4
599.24774	4.3
617.26367	7.4
647.27527	4.7
777.29944	4.8
795.33020	16.9
816.58289	4.1
825.34082	6.0
838.83289	4.1
843.34857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
63.96248	4.0
65.29443	0.6
68.40997	0.5
71.01370	2.3
72.99303	4.3
73.02934	0.6
73.98314	1.5
74.99093	10.4
87.00871	12.9
89.02462	0.9
96.96006	2.5
99.70310	0.5
101.02418	2.5
113.02487	0.7
117.01957	0.6
117.97313	4.6
132.99617	1.0
135.98358	11.0
136.99146	4.4
149.02444	1.4
151.00705	1.2
164.04776	7.2
168.05644	0.6
176.01151	2.5
177.01942	0.9
179.07169	2.2
190.02722	10.4
191.03531	12.8
197.04698	0.6
205.05083	39.9
209.04640	2.4
223.06152	12.7
248.18430	0.6
277.10767	0.9
365.19598	2.9
369.21112	1.3
423.28766	0.7
534.97272	0.7
557.48053	0.6
637.29016	1.4
645.23541	0.9
647.31256	1.4
718.46185	0.9
737.33209	0.8
755.34076	1.0
843.34912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.3
61.98830	2.1
69.21155	2.3
71.01378	26.3
85.02956	4.1
89.02453	20.7
91.91795	2.3
100.66295	2.3
101.02425	20.2
104.45050	2.4
108.42332	2.6
113.02421	10.9
119.03501	3.1
143.59915	2.3
148.45595	2.3
161.02374	7.4
161.04546	4.3
171.09799	2.6
176.04791	16.1
179.03477	13.4
179.05629	11.5
190.02826	3.1
191.07086	4.6
194.05841	53.4
194.07486	4.1
209.08208	55.7
328.44791	2.7
439.12015	2.9
475.21872	19.6
523.25385	3.2
685.30878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.77061	0.6
96.96002	27.1
153.78413	0.7
214.23964	0.7
299.91602	0.7
415.14874	0.7
416.93350	0.8
465.33749	0.8
519.27887	100.0
528.01184	0.7
707.70874	0.8
843.38501	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.46
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.3
59.43368	0.6
71.01379	30.8
72.99310	0.9
73.02948	5.9
75.50494	0.6
79.09499	0.6
81.03409	0.7
83.01382	3.3
85.02946	7.7
87.00867	12.5
89.02437	50.9
95.01379	2.5
97.02934	4.2
99.00871	1.0
101.02434	37.7
113.02437	22.0
119.03483	8.5
125.02441	11.5
131.03499	9.5
133.05060	0.8
139.03978	1.2
143.03450	6.4
149.04573	1.4
161.04535	9.3
179.05571	6.4
203.05606	1.2
221.06660	9.7
235.08214	3.5
237.04309	0.6
246.27774	0.8
253.09206	1.2
283.26440	35.0
297.28131	0.7
379.12320	1.6
383.12039	1.2
391.66534	0.7
397.13446	3.7
415.14862	3.0
559.18835	100.0
577.19855	28.7
655.13141	0.7
745.83466	0.8
843.46045	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
60.99306	3.2
67.01889	4.7
69.03448	0.8
71.01366	3.0
73.02940	0.3
81.03447	0.6
81.95229	0.3
83.05050	0.6
85.02961	0.4
85.86269	0.3
87.00863	14.9
93.03447	68.1
99.00854	1.8
99.04516	1.7
111.04504	13.6
113.02409	1.7
115.03883	0.4
115.38997	0.4
129.01926	1.8
134.03697	1.5
143.03484	0.6
149.06070	2.3
155.03510	3.4
173.04544	41.1
178.02760	0.9
191.05641	10.4
192.62987	0.4
193.05058	13.9
197.04539	1.4
346.45547	0.4
359.10049	0.6
367.10236	0.9
529.15668	100.0
860.90582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.9
115.14632	3.6
134.00571	4.0
134.67035	3.3
149.02415	4.0
150.03242	43.3
165.05562	71.1
180.04416	4.3
181.05066	7.7
182.12111	4.6
188.61554	4.0
195.06610	29.4
259.58832	3.6
283.06110	4.0
327.21945	3.8
395.32089	3.3
613.22070	6.1
809.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
60.54747	1.8
61.98832	1.6
65.20744	1.7
66.14957	2.0
139.75598	2.1
149.02443	7.7
149.06091	3.8
150.03244	29.4
151.04018	10.1
164.04721	2.9
165.05557	66.8
180.04338	3.4
181.05101	8.0
195.06638	13.3
255.04462	2.2
310.18533	2.0
337.07187	3.1
355.11746	2.2
367.11795	8.4
403.76563	2.0
407.93744	1.9
535.16669	2.2
565.21222	2.8
613.23370	4.6
713.26465	2.4
740.31567	2.7
761.28485	4.9
791.28998	8.4
796.99750	2.9
809.30341	100.0
861.13208	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.2
64.81585	1.1
71.01376	27.5
73.02946	2.6
81.31731	1.1
83.01411	2.6
85.02947	19.1
87.00866	4.7
89.02441	17.1
95.01395	1.5
97.02938	2.8
99.00893	10.3
101.02437	24.8
105.99772	1.2
111.00885	2.0
113.02436	23.0
119.03474	7.0
125.02425	11.1
131.03481	2.1
133.01453	2.8
143.03448	8.7
144.26244	1.3
155.03563	1.5
161.04538	14.9
175.07671	6.8
178.06367	2.1
179.05576	1.9
203.05484	1.7
203.54326	1.3
217.02124	1.5
219.19530	1.2
221.06627	5.0
245.06735	3.0
263.07709	2.7
268.60236	1.2
323.09958	15.3
329.13956	33.9
359.15143	5.6
386.30756	1.8
452.43488	1.3
488.36234	1.5
500.63153	1.4
521.20349	2.6
561.33386	1.6
653.24988	2.6
683.25641	100.0
775.33398	1.4
783.91577	1.4
809.94647	1.4
845.31268	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.2
64.55219	5.0
71.01377	29.7
80.75629	3.9
89.02449	31.6
97.02946	4.5
101.02411	34.2
113.02451	26.7
119.03508	5.4
124.21961	5.2
125.02462	6.6
152.52129	4.8
160.05354	5.8
175.07631	7.7
178.06351	9.2
288.98422	4.3
322.32663	5.6
323.09784	22.6
329.14005	100.0
337.50488	5.6
359.15036	8.5
521.20245	28.3
635.08026	5.0
653.24744	42.7
683.25616	67.3
688.93842	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98824	22.8
71.01379	10.5
73.02962	3.1
89.02445	3.6
101.02450	4.1
101.59486	2.4
134.03806	3.5
135.85214	2.3
149.02438	10.0
150.03241	46.0
160.01649	3.6
165.05569	61.0
169.23615	2.5
175.04004	15.9
180.04329	4.5
190.02667	2.7
191.05653	13.0
193.05009	9.4
195.06622	14.2
196.07042	2.6
205.05098	5.5
313.10950	4.9
328.97888	2.3
352.09613	3.3
358.10519	5.3
370.10574	4.4
373.12851	5.4
385.13092	2.8
439.15622	2.5
533.18402	3.5
551.18463	4.1
555.64960	2.6
599.21088	3.4
649.25110	4.1
747.28314	10.2
782.28650	3.0
797.30212	20.0
845.32416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25990	0.2
64.30965	0.3
69.03414	0.3
79.05508	0.4
83.05018	1.4
86.93564	0.3
95.05030	0.4
103.18256	0.3
111.08144	1.9
127.11240	0.5
141.60419	0.3
149.09680	0.6
165.95074	0.3
171.10275	5.0
193.12259	1.4
195.08479	0.4
195.10291	15.7
235.13409	3.1
253.14471	22.1
268.03796	14.5
268.36884	0.3
282.03027	0.3
283.06140	100.0
445.01450	0.3
591.17389	5.1
778.20532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	96.1
61.39070	1.4
67.44810	1.6
70.71978	1.4
71.01377	59.8
71.72060	1.4
72.99312	1.9
84.11779	1.6
85.02935	3.8
87.00834	2.6
89.02438	100.0
91.16090	2.0
92.22472	1.8
95.01412	2.7
97.02987	3.0
98.92309	1.4
101.02444	37.5
103.82378	1.6
113.02444	24.4
115.03999	42.4
119.03491	33.1
143.03455	6.8
149.02463	2.6
161.04556	9.4
165.05571	2.1
179.05608	73.7
197.04646	1.8
219.48035	2.2
371.14810	1.9
403.70157	2.1
492.17914	2.4
507.20288	3.7
509.29749	1.7
537.21393	20.1
567.22070	8.7
585.23102	3.4
798.45947	1.9
803.12830	2.0
838.67047	2.0
855.07581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
61.98821	6.0
71.01386	5.8
73.02936	1.2
74.13403	0.7
85.02946	3.6
87.00879	1.1
89.02431	1.6
100.35313	0.7
101.02438	8.3
113.02409	3.5
119.03493	0.9
121.02933	0.9
122.03725	2.8
129.01898	0.7
134.03720	0.9
135.04533	1.3
149.02446	8.5
149.06056	1.3
150.03212	36.7
151.04042	1.2
164.04764	4.5
165.05559	53.1
175.04022	4.6
179.03516	1.0
180.04341	5.3
193.05119	1.1
195.06648	9.4
205.05121	1.1
255.06651	5.0
256.07541	2.5
270.08975	4.7
271.09778	3.4
276.65555	0.9
279.08823	3.7
301.10822	3.1
311.09256	1.2
313.10654	0.9
341.10364	1.0
343.11871	1.4
344.12723	1.1
345.13379	1.1
356.12799	1.5
357.13275	1.2
359.15204	5.3
371.15012	1.4
373.12924	1.1
385.12738	1.6
436.27917	0.9
439.15225	1.2
461.16266	1.6
491.15829	2.8
503.15790	7.7
504.17438	1.0
506.17810	9.0
507.19711	2.9
518.18079	3.6
519.19653	1.3
521.20404	8.8
533.20447	6.3
550.23578	0.8
551.21057	1.1
669.26337	0.9
681.25494	5.2
699.26715	21.3
729.27350	1.1
747.28772	100.0
770.88708	1.0
797.30353	3.1
815.30554	1.1
845.30389	5.4
878.70514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05961	0.3
60.99305	0.8
63.60199	0.4
67.01885	1.9
71.01362	0.7
85.02972	0.4
87.00859	5.0
88.22591	0.4
92.23074	0.6
93.02856	0.9
93.03445	21.0
100.42525	0.5
111.04506	4.7
114.02759	0.4
115.00185	0.4
128.06184	0.5
129.01924	0.5
130.51581	0.4
134.03749	2.6
143.03566	0.5
145.84294	0.4
155.03534	1.4
173.04549	11.4
175.03984	0.7
191.05624	100.0
193.05025	7.6
194.87230	0.4
288.00317	0.4
315.79489	0.4
367.10367	62.8
455.62061	0.4
678.19415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
68.12691	1.0
71.01378	1.8
72.99301	46.4
89.02437	2.1
90.66722	0.9
93.03419	1.5
101.02434	1.2
123.04520	10.0
135.04512	14.9
151.03957	1.1
153.76442	0.9
154.63255	1.0
171.07805	1.0
173.04518	2.4
179.03505	55.0
182.02432	0.9
182.54309	1.0
191.05536	10.7
197.04558	80.3
216.33043	1.1
221.46838	1.0
367.10382	6.7
398.16003	1.1
585.33246	1.1
646.38574	1.1
845.34528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
70.36742	0.7
71.01372	6.0
72.98950	0.8
89.02435	9.5
97.06602	1.6
101.02443	8.2
112.62333	0.8
113.02412	1.8
119.03473	1.7
123.08160	1.5
125.02469	1.5
125.09711	45.1
152.99559	3.3
161.13585	0.7
166.26939	0.7
178.85744	0.7
181.59384	0.9
187.09775	32.6
196.54750	0.8
221.06770	1.0
277.21759	29.5
845.45520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.0
61.98833	33.5
68.56273	0.6
71.01376	5.1
71.51090	0.6
73.02943	0.7
80.10377	0.7
87.00858	0.7
89.02435	8.0
92.23148	1.3
97.06598	2.8
101.02441	6.5
113.02415	3.6
119.03473	1.7
123.08150	1.3
125.09711	57.0
155.11830	0.7
161.04584	1.3
169.08690	1.7
187.09764	68.8
191.05618	3.2
211.09854	0.7
221.06642	3.0
234.11421	0.7
251.24353	0.6
261.13358	1.0
277.21698	14.1
279.23822	0.7
368.03659	0.8
423.18692	0.9
585.24561	1.1
782.51825	7.3
845.45355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98742	0.6
68.74761	0.5
71.01373	3.1
73.02937	0.7
76.47769	0.5
78.98590	1.3
79.69230	0.6
79.95731	6.5
80.96516	34.7
81.03436	0.5
85.02950	2.3
87.00844	1.1
94.98078	10.3
97.02975	0.7
101.02424	2.0
106.98090	1.1
110.85058	0.6
122.97550	1.3
125.02428	5.0
127.03972	0.5
134.97569	3.5
136.99081	1.4
148.99133	5.8
152.98602	6.1
158.90816	0.6
164.98616	13.6
167.00237	0.8
185.97658	0.6
191.05620	2.3
193.53976	0.5
206.99731	4.6
225.00768	31.9
236.29382	0.6
255.23378	1.2
277.21631	0.6
283.04868	1.3
355.07431	1.0
537.27509	3.7
589.23151	1.1
609.29285	1.2
845.47375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	24.0
96.96945	3.2
114.87680	0.3
150.97997	0.6
152.99577	100.0
165.62236	0.4
171.00642	3.7
255.23294	1.5
409.23624	21.4
434.24002	0.5
435.25177	28.1
635.07733	0.4
845.49872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
60.57870	0.5
61.01590	0.5
61.98830	100.0
65.53337	0.6
71.01387	0.8
73.69066	0.5
73.69513	0.5
78.95908	0.7
89.02428	1.0
96.95986	0.7
101.02470	0.8
125.09721	10.8
129.10356	0.7
152.99602	2.4
187.09758	12.4
188.42310	0.7
191.05571	1.1
207.14989	0.9
223.56409	0.6
224.31552	0.6
242.18709	2.4
259.14481	0.8
277.21695	2.4
638.69354	0.6
782.51837	21.5
845.48621	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93030	1.1
61.98832	1.2
63.67607	0.9
63.67920	1.1
71.90296	0.9
72.99309	20.8
74.59530	1.2
75.00866	24.5
92.23096	1.9
185.06407	1.0
185.14021	1.1
235.32460	1.1
255.23228	1.4
283.85379	1.1
343.28564	100.0
433.62210	1.4
845.49213	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	52.2
67.01891	4.4
85.02959	1.7
93.23128	0.7
107.26626	0.7
111.00870	100.0
111.07629	0.7
146.03705	3.5
161.06126	1.3
164.04755	3.3
179.07162	12.4
221.06708	1.2
251.12183	0.9
283.84027	0.8
291.05405	1.9
305.07056	1.5
606.15887	2.8
704.23523	1.1
756.22949	22.6
772.23016	0.8
786.24139	4.9
816.26331	1.3
846.26025	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.6
61.98839	0.7
67.01881	3.1
111.00872	100.0
146.03737	7.7
147.90189	0.6
153.02023	0.6
161.06053	5.1
164.04794	7.7
179.05573	0.8
179.07130	22.5
239.89604	0.6
261.83728	0.7
273.06174	4.7
305.06863	0.7
370.07272	0.8
431.93002	0.6
467.13861	2.3
606.16394	0.9
704.23877	0.8
756.22797	1.0
786.23865	3.6
816.24603	1.1
846.26093	10.4
867.26971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96929	6.0
66.84838	5.3
71.44458	5.3
71.64771	5.4
82.88949	5.6
83.10423	4.7
107.61481	5.5
122.06116	8.6
139.06264	5.5
190.21616	5.4
209.65508	5.8
243.07848	8.6
269.09253	12.0
315.10065	6.1
325.08267	8.6
343.40460	7.2
384.68091	6.3
474.13196	13.7
506.15466	7.9
721.32111	7.5
776.70532	6.3
846.45221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	6.3
79.65405	0.6
89.02438	2.5
89.41164	0.6
97.71209	0.6
99.56032	0.6
100.60802	0.7
109.31342	0.7
115.00358	36.6
115.51938	0.7
121.25539	0.6
133.01425	100.0
360.13684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76324	1.2
59.01384	1.6
74.16089	1.4
76.71436	1.6
92.22527	2.0
129.99173	1.7
136.24435	2.0
136.81743	2.0
147.04504	2.3
149.02472	16.3
149.06055	2.2
150.03194	9.2
150.56787	1.6
163.04002	1.7
164.04793	56.5
165.01924	21.7
165.05582	19.9
179.03484	7.4
179.07127	14.9
180.04286	52.0
190.02728	3.8
193.01399	2.2
194.05905	8.0
195.06633	96.9
205.05013	17.4
208.03778	48.0
210.05336	20.5
223.06120	100.0
225.07693	23.9
279.92191	2.0
327.08640	2.3
342.10971	3.3
384.08640	1.8
401.12509	2.1
449.08704	3.3
449.14557	63.7
569.22247	1.8
621.21649	18.7
726.61517	2.0
763.29120	1.9
782.15350	1.7
811.32257	17.6
847.30353	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
76.28511	0.5
91.01143	0.5
92.23119	1.1
95.01600	0.5
151.11275	11.7
169.12346	100.0
213.11348	73.0
215.56731	0.6
268.03815	1.1
271.30084	0.8
283.06128	4.7
427.94937	0.5
478.43854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
71.01385	1.9
75.43668	1.1
86.36683	1.2
92.22482	2.2
95.07478	1.1
113.02411	1.8
134.02711	2.5
134.03740	77.5
136.01639	5.9
137.02409	2.4
147.04561	2.4
148.05293	4.7
149.02353	1.3
149.06076	90.6
150.03198	10.4
153.05542	1.4
163.03972	1.1
164.04691	1.6
165.05591	14.0
175.04039	7.7
177.05464	1.9
178.02827	2.5
192.04272	10.2
193.05075	22.3
195.06606	2.7
207.06673	6.6
209.97302	1.2
223.06259	1.8
355.11942	2.5
359.14984	1.4
383.13477	10.3
397.64981	1.3
403.14032	100.0
577.19543	16.3
763.28992	2.0
787.28467	15.8
811.32159	14.2
838.91388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
61.98823	0.9
66.99139	0.6
71.01380	8.2
72.99308	16.7
85.02945	4.8
87.00887	0.7
89.02442	8.8
92.22478	1.0
93.84401	0.8
95.01378	1.2
97.02970	1.6
99.00871	3.6
101.02452	6.5
102.39272	0.7
111.00909	1.4
113.02447	12.9
119.03453	1.3
119.05006	0.9
121.03017	0.9
134.03741	100.0
135.04527	1.1
136.01643	4.3
137.02495	1.9
137.06068	3.0
147.04524	3.3
148.05284	5.0
149.06075	91.0
151.03989	1.2
152.04793	3.9
153.05611	3.5
153.18509	0.8
160.01665	7.4
165.05554	6.1
167.07092	8.5
175.03996	16.0
178.02673	5.6
191.05644	0.9
192.04329	13.0
193.05075	23.1
195.06613	1.1
207.06631	6.4
245.95241	0.9
284.10458	1.3
293.24066	0.9
329.12433	7.1
355.11795	1.3
359.14880	0.9
403.14026	61.8
404.58432	0.9
425.14798	1.5
443.15659	95.3
637.21533	16.0
847.30060	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
62.55550	1.2
77.41015	1.3
81.01202	1.5
96.17073	1.3
108.43700	1.5
151.11276	17.0
164.99619	1.6
169.12341	100.0
213.11325	76.5
265.90540	1.3
268.03516	1.6
283.06033	14.4
397.17090	1.8
869.74933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87351	0.3
83.05013	1.7
99.40059	0.3
107.07380	0.3
114.01643	0.4
119.21912	0.3
171.10269	4.0
183.10139	0.4
193.15918	0.4
195.10368	0.5
209.15468	1.2
211.13533	0.5
219.13873	0.4
237.15010	8.9
253.14355	1.6
254.14842	0.7
255.12465	1.6
255.16032	20.2
255.23218	0.6
268.03784	15.1
283.06140	100.0
284.06415	2.5
285.06815	1.8
327.21802	0.7
375.48639	0.3
591.17236	4.4
606.02850	0.4
682.77014	0.4
773.77893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.0
63.77055	2.3
63.94983	2.5
71.01383	34.9
73.02943	6.3
87.00880	2.7
89.02435	68.8
92.22433	2.9
101.02438	40.0
113.02462	19.9
119.03460	28.3
125.02442	31.6
131.03496	10.1
138.05421	2.6
138.59775	3.1
143.03522	5.3
161.04553	19.1
179.05627	29.7
200.66307	3.0
209.23563	3.3
221.06696	13.3
288.99246	3.2
301.16605	3.4
301.21759	100.0
341.10931	18.1
383.11942	21.9
467.14438	2.9
485.15097	85.5
512.52679	3.8
787.37714	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.7
64.15387	0.5
67.90797	0.5
71.01368	2.9
73.93871	0.5
78.80306	0.4
78.95893	3.7
87.00857	1.1
89.02448	5.8
92.03163	0.5
97.06572	3.4
101.02438	5.3
113.02414	3.0
119.03481	1.0
123.08126	1.0
125.02395	0.6
125.09710	43.4
148.07526	0.5
152.99583	3.5
161.04594	0.7
169.08698	1.1
173.61403	0.5
179.05580	0.6
187.09761	57.4
204.21384	0.5
221.06609	3.2
222.99957	0.7
229.39363	0.7
235.08261	0.6
241.01254	5.5
255.23344	8.4
279.23312	13.9
293.21210	10.0
531.40613	0.6
551.41046	0.6
585.23566	0.9
749.61676	0.6
847.47296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.0
60.16803	0.5
61.71350	0.5
64.73966	0.5
71.01376	7.0
73.02916	0.6
78.95907	0.9
84.84810	0.6
85.02921	0.8
87.00904	0.8
89.02441	7.9
96.55830	0.5
97.02940	0.6
97.06589	5.9
99.00901	0.6
101.02432	5.3
113.02439	2.7
119.03481	2.6
123.08133	2.7
125.02444	0.8
125.09711	49.4
143.50496	0.6
152.99579	2.9
179.05508	0.6
187.09761	33.4
187.11407	1.5
235.08258	1.1
245.26682	0.7
279.23303	37.1
545.79504	0.6
678.78687	0.7
765.74200	0.7
847.47040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02147	0.6
64.04515	0.7
64.38216	0.6
65.01131	0.7
71.01378	2.7
73.02937	0.7
75.85474	0.7
76.48861	0.6
78.95510	0.5
78.98584	3.9
79.95728	3.5
80.96513	35.3
85.02941	1.2
87.00890	2.7
94.98081	10.1
96.08566	0.7
96.96014	0.7
97.02929	0.8
101.02434	1.3
106.98086	2.6
122.97562	2.8
125.02420	3.2
132.56731	0.6
134.97575	4.9
136.99121	1.4
148.99176	5.5
152.98631	6.7
164.98631	16.5
206.99709	3.5
225.00755	29.9
255.23355	1.6
537.27490	4.0
591.24884	2.6
847.48932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65931	1.1
67.54690	1.1
71.28680	1.3
71.47814	1.1
73.41515	1.2
75.53087	1.2
76.04656	1.4
79.91371	1.3
87.00896	2.6
92.23083	3.0
93.03461	14.8
98.09799	1.4
111.04495	2.0
112.62186	1.2
131.80644	1.3
133.01459	7.3
134.03751	8.9
149.06079	16.9
155.03477	6.7
173.04509	9.7
178.02719	6.6
193.05067	100.0
197.99690	1.3
200.75485	1.5
210.94275	1.3
265.48126	1.6
267.04468	1.4
274.77679	1.4
321.21600	1.5
385.31171	1.5
529.15680	72.4
845.50415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18944	1.3
67.01894	1.8
74.14352	1.4
93.03463	21.5
93.78978	1.6
94.79646	1.6
98.59753	1.4
111.04519	6.5
134.03752	10.1
137.02423	8.1
149.06064	11.7
155.03522	10.3
167.68275	1.6
173.04549	100.0
178.02747	6.5
193.05046	38.8
306.07739	2.7
372.79568	1.8
492.13498	2.9
529.15668	58.5
553.10822	2.6
610.32532	1.7
848.10425	2.2
848.24634	35.9
855.29578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.299
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	2.4
75.30904	0.8
81.46280	0.9
93.03445	1.0
93.34933	1.1
96.28200	1.0
119.05008	2.4
135.04524	10.3
136.04863	1.1
137.06107	1.7
148.40514	1.0
161.02428	5.1
163.04018	16.3
179.03510	16.5
180.03874	5.1
180.10349	3.8
181.05086	100.0
190.61452	0.9
197.04584	8.0
270.11432	1.2
285.10028	1.7
300.12381	4.1
310.10849	1.2
311.09326	4.2
327.11011	2.3
342.09903	1.5
342.13492	44.2
343.10361	69.3
359.09918	6.1
504.18869	36.8
504.26181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24026	0.5
64.91926	0.5
69.20076	0.5
69.89904	0.6
93.56343	0.7
121.04080	0.7
160.03978	1.3
280.06152	1.4
289.84283	0.6
294.04092	4.7
308.05682	17.3
309.06494	13.1
324.08789	100.0
368.07819	8.5
439.24918	0.7
486.14127	1.3
530.13104	52.4
732.80170	0.9
776.23779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24473	1.3
88.99229	1.4
116.16668	1.5
122.28951	1.8
134.26118	1.4
139.04013	2.9
151.04004	7.7
173.06108	1.6
198.39876	1.7
209.06015	2.6
225.05499	2.0
227.10806	12.8
253.05141	6.9
271.09781	100.0
281.04547	19.9
283.06152	77.2
283.09766	95.9
295.06122	12.8
316.54245	1.7
320.93933	1.6
361.23566	1.6
553.15143	7.8
565.15417	2.4
567.16644	88.9
701.38159	1.7
740.97858	1.7
849.22223	29.9
849.51672	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02972	3.9
73.02940	0.7
75.00882	0.7
81.00603	0.5
85.23920	0.5
85.67983	0.5
92.26072	0.5
95.02529	0.8
96.00374	0.6
96.00928	2.8
97.02937	0.9
97.16930	0.6
100.04025	0.7
101.02438	8.6
110.06101	1.0
111.01982	0.6
113.03559	10.0
114.01958	27.1
115.04007	7.3
124.04128	0.8
124.07688	0.8
125.03621	0.6
131.04619	85.0
152.07137	0.6
154.08766	0.9
165.04021	0.9
168.06628	1.3
169.94177	0.6
179.03462	2.4
180.21225	0.6
185.05737	0.9
196.09782	0.8
197.04459	4.3
203.06744	8.5
229.08286	7.9
267.77780	0.6
282.90652	0.7
330.28937	0.6
355.11813	0.9
359.09940	3.5
373.12363	1.2
380.84668	0.6
391.13647	9.8
489.17352	100.0
563.95319	0.7
595.61993	0.7
757.07141	0.7
791.30255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.319
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68310	0.3
68.89034	0.3
78.99754	0.3
79.26571	0.3
84.96883	0.3
87.00866	20.1
88.80486	0.4
103.24883	0.3
104.95174	0.4
127.11299	1.2
153.12849	15.7
155.37688	0.4
197.09985	0.8
197.11841	31.8
215.12888	100.0
268.03860	1.9
283.06137	7.1
544.00452	0.5
618.09790	0.5
669.68768	0.4
778.70502	0.3
825.17584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	2.0
59.01384	44.2
60.26025	0.9
65.58142	1.0
65.93290	0.9
66.25398	0.9
104.76625	1.2
121.02957	8.8
128.68193	1.1
151.04024	9.3
153.01965	5.2
153.05611	1.3
161.04593	1.2
165.05580	1.1
168.04254	5.5
178.02705	1.8
179.03508	17.7
180.04300	1.7
181.04997	1.5
191.03499	4.9
193.05040	6.2
194.05853	21.9
195.06741	1.7
205.08775	2.1
207.06610	10.2
208.03900	1.6
208.07573	1.3
209.04599	2.2
209.08275	1.4
222.08965	16.8
223.06134	4.6
358.14145	13.5
359.15073	5.3
373.16516	7.4
422.58801	1.2
562.49512	1.4
597.23523	100.0
609.23566	24.1
627.24524	60.1
759.28857	1.8
849.31689	1.4
849.48889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
63.05961	1.6
71.01371	3.0
75.39597	1.7
77.84408	1.8
89.02434	9.1
97.06594	2.1
101.02434	2.2
113.02469	2.2
119.03472	2.9
119.38808	1.9
121.76375	1.9
125.09721	48.7
125.84267	1.9
163.35149	2.2
187.09772	68.1
281.24933	21.4
428.79950	1.9
797.67969	2.8
849.23224	3.6
849.48639	100.0
877.24103	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.6
71.01376	6.0
78.95916	5.1
83.01346	0.6
85.02919	0.5
87.00851	0.9
89.02436	8.1
96.96941	0.7
97.02935	1.0
97.06574	2.8
101.02432	8.3
113.02432	2.8
119.03479	2.4
123.08136	1.4
125.02423	1.0
125.09713	41.1
127.20923	0.8
130.61188	0.5
132.65901	0.5
134.54951	0.5
135.79471	0.5
137.15295	0.6
143.34833	0.5
152.99561	3.9
161.04475	0.7
169.08575	0.7
171.10257	3.6
177.21707	0.6
187.09763	32.7
235.08194	0.9
241.01230	6.7
255.23311	12.0
277.21817	4.0
281.24887	34.0
295.22614	4.6
397.13361	0.7
414.31726	0.6
590.30743	0.6
849.49066	100.0
852.08496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23723	0.6
78.95904	26.5
93.37814	0.6
96.08142	0.6
96.45680	0.6
96.96972	3.8
102.86308	0.6
107.53832	0.7
152.99588	100.0
171.00679	3.4
189.03458	0.7
211.81039	0.6
255.23381	3.7
257.08078	0.7
409.23660	60.7
771.04938	0.8
849.50977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.12567	0.1
78.95901	18.3
88.37056	0.1
96.96346	0.2
96.96950	5.8
97.06588	0.2
113.09729	0.7
134.98528	0.3
147.08833	0.1
152.99582	12.9
155.36099	0.2
171.00600	0.3
171.10275	8.2
171.11757	0.3
179.14322	0.2
195.13922	8.0
223.00157	4.2
240.98653	0.4
241.01207	25.3
255.23317	49.7
256.23630	0.9
259.02286	2.2
259.20657	0.3
277.21741	18.1
279.23398	0.7
293.21262	1.3
294.21591	0.6
295.22812	24.1
297.03830	1.1
315.04901	1.1
391.22498	0.3
553.28149	0.6
571.28961	0.2
849.51404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.5
59.52235	1.3
87.37251	1.5
101.02432	2.5
118.33714	2.1
147.28923	2.0
162.21332	1.7
183.13864	6.3
223.17133	2.9
235.08253	3.5
235.16994	14.1
239.47935	2.1
241.27306	1.7
253.09308	9.9
275.20245	30.0
277.21738	100.0
293.21255	44.7
337.16968	2.0
511.28958	2.5
513.30615	7.8
529.30597	3.0
672.47266	1.8
849.50275	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.99297	2.6
67.01891	3.8
69.03457	1.1
71.01376	0.9
73.38396	0.5
81.03459	0.8
83.03725	0.5
87.00868	9.9
93.03451	45.5
99.00888	0.4
111.04513	10.7
118.51527	0.5
129.01941	1.1
134.03745	8.2
137.02477	0.5
149.06075	12.5
155.03491	3.4
173.04558	25.3
178.02737	5.3
178.14108	0.5
181.26665	0.5
181.65416	0.5
191.05634	7.3
193.05072	77.9
248.37991	0.5
311.07797	0.5
320.05627	2.3
355.10364	2.5
380.34842	0.5
472.13904	0.5
529.15704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90472	0.7
61.98829	100.0
71.77313	0.7
84.55548	0.9
84.58794	0.9
122.61780	0.7
134.03738	4.2
135.04114	1.2
149.06076	5.8
150.06430	1.3
179.12271	0.9
187.16269	0.9
193.05153	1.0
248.43710	0.9
271.08493	1.0
403.14114	1.1
404.14041	1.1
405.14417	1.8
406.14935	1.4
456.07065	0.8
850.51874	1.8
867.80420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57417	1.1
67.58485	1.2
72.99305	20.9
109.02921	1.3
121.02953	1.3
123.04501	5.6
135.04526	7.2
161.58603	1.4
179.03502	23.5
197.04578	100.0
328.11963	95.0
359.09894	68.4
360.10406	1.4
490.17258	42.8
499.18515	1.3
734.80524	1.4
791.55554	1.6
815.83020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.3
59.15910	0.5
69.90411	0.5
71.01366	2.5
71.24535	0.6
72.99296	0.7
77.50578	0.5
82.14149	0.6
89.02431	3.4
90.50400	0.6
96.96033	0.7
101.02448	1.4
103.13748	0.6
113.02436	1.0
119.03503	1.1
149.93605	0.7
161.67673	0.7
163.04012	1.3
164.04776	4.2
165.35880	0.7
166.02686	0.9
179.03500	1.1
189.40947	0.6
190.02740	9.5
197.04639	0.9
205.05090	33.9
207.03052	0.9
223.06126	5.7
223.20320	0.6
228.50398	0.6
239.31549	0.7
290.44580	0.7
445.17068	0.7
446.17770	4.7
463.16211	6.4
469.17215	100.0
695.30994	0.9
709.27301	4.4
710.54651	0.7
715.99695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
87.62835	0.4
95.04974	0.6
97.19376	0.5
112.07671	7.4
113.06072	3.3
129.10353	6.1
130.08737	12.6
134.35727	0.5
145.06950	0.5
193.90576	0.4
207.15068	3.9
208.13461	0.6
211.75148	0.5
224.17599	2.8
225.16096	26.9
225.18314	1.0
242.18883	0.5
252.75403	0.5
281.62051	0.5
320.23453	2.2
337.26129	3.1
338.24564	9.5
433.31677	3.5
450.34821	4.1
451.33044	5.3
546.40381	1.1
563.42847	2.7
636.03632	0.5
659.48651	0.8
676.51282	2.4
772.56909	5.8
790.58154	100.0
850.60193	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57550	0.5
65.01409	0.5
65.90685	0.7
72.98888	0.9
72.99299	27.0
80.58804	0.6
94.33704	0.6
118.33181	0.6
119.66222	0.5
121.75379	0.6
123.04484	5.0
135.04506	7.3
143.12473	0.8
179.03494	33.1
197.04561	100.0
233.08069	0.7
341.68723	0.6
349.51822	0.7
359.09848	69.0
491.14114	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36559	0.3
69.67119	0.4
69.95036	0.3
81.03433	0.5
83.05035	0.7
89.02430	0.5
102.11949	0.4
105.33882	0.4
125.09712	2.0
163.11266	0.6
165.12880	0.5
187.09770	5.7
191.05933	0.4
207.28931	0.4
209.11855	28.1
210.66969	0.4
227.12930	9.1
259.11951	2.8
259.15485	3.4
268.03815	15.0
268.06717	0.5
283.06149	100.0
327.17435	0.4
397.75311	0.5
591.17133	5.5
800.88293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.7
59.01384	15.3
63.95009	0.4
71.01376	17.7
72.99300	0.6
73.02924	4.2
78.79238	0.5
83.01385	2.6
85.02953	6.5
89.02438	18.7
95.01376	0.7
97.02923	0.8
99.00880	0.9
100.28959	0.4
101.02438	24.1
101.03091	1.0
101.06081	0.7
113.02445	13.8
119.03477	9.0
125.02419	0.4
126.23917	0.4
131.03506	0.7
143.03505	1.0
150.99471	0.4
159.02985	1.9
161.04565	8.4
179.05595	1.8
208.09535	0.5
263.11392	8.9
402.69748	0.5
425.16705	100.0
467.55783	0.5
630.83777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.7
59.01384	15.3
63.95009	0.4
71.01376	17.7
72.99300	0.6
73.02924	4.2
78.79238	0.5
83.01385	2.6
85.02953	6.5
89.02438	18.7
95.01376	0.7
97.02923	0.8
99.00880	0.9
100.28959	0.4
101.02438	24.1
101.03091	1.0
101.06081	0.7
113.02445	13.8
119.03477	9.0
125.02419	0.4
126.23917	0.4
131.03506	0.7
143.03505	1.0
150.99471	0.4
159.02985	1.9
161.04565	8.4
179.05595	1.8
208.09535	0.5
263.11392	8.9
402.69748	0.5
425.16705	100.0
467.55783	0.5
630.83777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.6
71.01374	22.3
73.02940	8.4
83.01380	1.6
83.40598	0.8
85.02943	7.2
89.02431	15.7
94.54612	0.8
95.01350	0.9
97.02924	1.9
99.00864	4.7
101.02436	27.5
113.02431	16.8
119.03516	6.3
125.02486	7.5
131.03470	1.7
141.01947	1.0
143.03458	2.1
153.01941	1.4
159.02943	1.2
161.04562	12.4
164.04819	3.9
168.04276	4.1
182.28900	1.0
183.06595	1.2
190.02713	1.5
205.05060	7.7
221.06512	1.2
223.06145	1.7
282.40610	1.1
338.92078	1.1
441.89029	1.0
467.30078	2.1
469.17163	3.5
470.17371	3.5
498.38718	0.9
551.17664	6.4
629.35321	4.3
791.40784	100.0
851.39789	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.5
59.99112	1.0
61.68256	1.0
66.58285	1.0
71.05029	1.2
73.02934	1.5
85.51387	1.1
93.03450	4.6
95.05016	23.8
97.06598	2.5
107.04987	1.6
109.06583	8.3
111.04492	2.7
113.02425	1.9
121.02974	1.5
121.06564	2.1
123.08145	7.3
125.09713	32.7
135.04520	2.3
137.06129	1.6
139.11267	1.3
149.06078	5.9
151.07646	49.3
167.07155	4.4
167.10748	1.9
171.10263	10.1
178.06328	2.9
185.11838	14.5
205.12373	6.9
219.13895	2.1
221.11807	4.6
223.13324	5.0
235.13454	1.6
247.13405	2.5
263.13046	3.9
265.14493	17.5
293.17569	2.2
293.21136	1.4
303.15948	8.8
321.17099	100.0
577.10516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.3
62.89461	0.7
64.89645	0.7
71.01373	5.8
75.34090	0.9
82.20269	0.7
83.01363	1.0
85.02946	0.9
89.02455	9.1
89.02931	1.0
97.06578	3.3
101.01112	0.9
101.02444	8.2
104.62920	0.9
108.49660	0.9
113.02416	2.1
119.03510	1.3
120.03835	1.0
125.02462	1.1
125.08839	1.5
125.09718	40.5
155.38652	0.8
161.04515	1.3
171.19012	0.8
185.04527	0.8
187.08133	1.6
187.09776	36.4
197.30956	1.0
207.78494	0.8
283.26447	32.2
535.99109	0.9
569.72388	0.9
599.19391	1.0
851.50116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.8
59.45705	0.5
99.08175	0.9
113.09734	1.0
123.21010	0.5
127.07637	0.7
129.09201	6.1
139.11287	3.1
155.10747	1.3
167.10933	0.6
169.12344	2.6
171.10274	16.2
181.12352	3.6
183.10426	0.8
183.13907	2.1
185.11841	2.6
193.12289	0.7
197.11853	9.0
199.13432	4.7
201.11342	2.1
211.13423	17.0
263.11285	2.7
275.20193	2.7
293.21222	18.8
311.22314	100.0
503.07388	0.6
544.53107	0.6
588.81171	0.6
780.72729	0.6
796.56323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62167	0.6
63.82457	0.6
86.50061	0.6
121.10268	0.7
125.09647	0.9
127.11259	3.3
139.11296	8.8
151.11255	0.7
155.10742	1.4
171.10272	50.2
183.10304	4.6
185.11836	13.1
195.13879	1.0
201.11348	6.1
211.13335	1.0
249.22433	0.7
263.08719	0.7
263.11343	2.8
275.20166	5.0
291.19781	0.7
293.21249	21.1
311.22311	100.0
313.44260	0.7
399.71777	0.7
445.37427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36849	0.4
67.11669	0.5
71.01402	0.4
94.62614	0.5
98.68456	0.5
109.06591	1.0
111.08106	0.7
123.25276	0.5
125.09727	2.8
127.07587	0.6
165.12840	6.3
167.10809	0.8
183.13927	2.1
191.14433	3.5
252.54837	0.6
275.20120	0.6
277.21747	8.6
293.21262	100.0
311.22311	24.9
318.02258	0.6
468.90198	0.7
711.35199	0.6
801.67651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48639	0.2
65.33790	0.2
66.47643	0.2
66.85861	0.2
78.95897	0.4
86.20773	0.2
88.40201	0.2
97.02943	1.0
125.09707	0.4
187.09846	0.4
206.44843	0.2
223.09892	0.2
241.49002	0.2
253.21754	100.0
255.23199	0.3
285.58881	0.2
297.24393	0.2
343.14044	0.9
351.25330	0.3
522.57208	0.3
597.36530	0.4
764.19061	0.2
772.46985	0.2
851.49792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10125	0.5
81.03465	2.4
83.05034	1.1
83.78424	0.5
91.97752	0.7
93.03464	2.4
97.57842	0.6
105.40031	0.6
109.02934	0.9
109.05815	0.5
111.04507	34.7
119.05011	2.5
119.62855	0.5
127.04005	100.0
137.02448	6.7
155.03496	78.1
155.04823	1.0
163.03970	6.1
179.88997	0.6
191.86559	0.6
196.26447	0.6
199.02495	63.4
200.77678	0.6
217.03523	2.9
363.07266	31.4
436.70673	0.7
570.36749	0.6
595.68530	0.6
608.34882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60413	0.5
69.38375	0.6
72.99304	20.8
81.03455	1.0
83.05031	15.4
89.37966	0.6
89.56933	0.7
111.04505	20.6
114.55967	0.7
115.03998	10.0
127.04010	67.9
129.05569	7.3
134.03667	0.9
137.02434	3.8
155.03502	67.3
171.02963	5.3
189.04037	4.9
193.05011	1.1
199.02490	34.8
217.03539	100.0
226.57123	0.6
235.04518	2.7
356.24435	0.7
392.99860	0.7
393.08322	1.2
399.13611	0.6
411.09360	32.2
518.29718	0.6
526.34070	0.8
605.93799	0.7
853.26215	1.2
884.29510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62378	0.9
68.07164	0.9
70.04848	1.1
71.01379	36.1
72.71523	1.1
72.99302	6.8
73.02953	2.6
83.01349	1.5
85.02935	2.7
87.00876	1.0
89.02450	14.7
94.33985	1.0
95.01358	1.2
96.96005	1.9
101.02432	13.9
113.02449	7.6
115.00375	6.9
115.03983	1.2
119.03499	5.7
124.68985	1.1
154.46353	1.4
171.18102	1.3
174.03340	1.1
205.05045	2.1
219.21376	1.1
223.06099	1.6
229.01868	1.4
470.38806	1.3
511.93686	1.4
525.49017	1.3
530.27325	1.2
579.20911	100.0
639.23065	4.2
666.37128	1.4
810.31976	1.5
835.27094	1.7
853.27429	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	1.6
67.01887	1.7
69.03431	0.8
71.01376	0.6
81.03439	0.4
83.05020	0.4
85.02897	0.8
87.00867	6.3
87.93876	0.4
88.05489	0.4
88.56387	0.3
93.02869	0.8
93.03455	21.3
102.56197	0.4
111.04530	4.2
122.42800	0.4
129.01875	0.5
134.03770	3.0
155.03493	0.7
173.04549	12.8
175.03969	0.8
191.05629	100.0
193.05070	7.7
355.85059	0.5
361.21509	0.4
367.10367	61.0
403.19748	0.5
591.22955	0.6
839.07721	0.6
853.25592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	4.7
89.02438	6.7
96.45045	0.7
97.75155	0.7
101.02440	4.1
113.02428	4.2
119.03540	1.5
132.10016	0.9
155.52849	0.9
160.05307	0.8
163.04007	3.6
164.04788	1.4
166.02747	1.3
178.06351	1.4
179.07133	1.1
190.02747	1.7
205.05032	11.3
207.02994	4.6
222.05452	1.1
223.06125	3.9
274.08588	1.4
289.08090	0.9
289.10818	7.2
454.15137	1.5
469.17166	100.0
693.82013	0.8
709.27441	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.6
71.68604	0.7
79.84122	0.7
80.22102	0.7
85.02966	1.4
89.02448	3.2
101.02444	1.5
113.02460	0.8
153.80046	0.7
163.03957	1.1
164.04764	5.5
179.02112	0.7
179.07133	1.7
183.06680	1.0
190.02763	11.5
191.03671	0.8
205.05069	36.5
207.03056	1.1
223.06122	5.9
430.01746	0.9
463.16293	8.0
469.17200	100.0
482.06448	1.0
709.27234	4.5
779.73798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73730	0.6
71.01387	1.0
72.99303	48.8
90.33280	0.6
97.99637	0.6
123.04516	22.3
125.51108	0.6
135.04524	29.2
150.54866	0.7
151.04012	1.1
163.60823	0.7
172.62248	0.6
179.03508	55.2
197.04564	100.0
215.05566	0.8
407.32123	0.6
412.04016	0.8
538.36353	0.8
655.28485	12.9
853.33539	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04441	4.8
71.01378	33.5
73.02924	7.5
78.09469	4.9
87.00845	7.6
89.02448	35.8
91.45319	5.8
101.02444	47.0
113.02454	37.0
119.03446	7.9
161.04527	8.8
167.02394	5.6
169.61258	6.3
183.13979	7.2
275.20105	6.6
293.21326	12.6
415.00500	6.1
461.53928	6.1
505.90048	7.5
559.18921	100.0
577.20001	43.8
732.74237	7.0
853.41223	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99433	0.3
69.03453	0.3
71.01373	3.4
71.55326	0.3
73.02956	0.3
73.20739	0.3
78.98592	3.4
79.95730	8.4
80.96513	34.1
81.03439	0.6
85.02956	1.8
87.00836	1.5
89.07273	0.4
94.98083	10.7
96.79263	0.4
96.95968	0.4
97.02955	0.7
101.02423	2.1
106.98077	2.3
113.02441	0.4
122.97554	2.4
125.02463	3.6
127.03999	0.6
134.97589	4.4
136.99133	1.4
148.99142	5.6
152.98628	6.0
161.04417	0.4
164.98598	14.6
167.00194	0.4
182.86069	0.4
206.99730	4.1
221.32486	0.4
225.00757	27.4
262.59738	0.4
277.21786	1.8
283.04883	2.9
341.05582	0.7
355.07190	0.8
411.13245	1.3
422.05432	0.5
559.25909	3.3
575.25336	2.5
631.27643	2.2
645.29181	0.8
659.31702	0.6
701.36938	0.5
853.47845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90879	1.7
71.01373	2.7
92.23122	2.0
101.02412	3.3
110.39986	1.6
110.63120	1.6
143.70125	2.1
152.99586	3.3
155.10789	52.2
171.10242	13.2
199.09801	2.7
217.10770	23.6
255.23357	26.6
292.27777	1.9
586.64972	2.1
853.48132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.57
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54565	0.5
67.86073	0.4
68.72440	0.4
71.01379	0.9
73.02927	0.6
73.77982	0.4
81.33610	0.4
89.02461	0.8
92.22430	1.0
94.36493	0.4
101.02451	0.8
113.09673	0.6
119.03499	0.5
135.06570	0.9
195.13919	18.4
216.40956	0.5
277.21747	40.3
279.10928	2.1
291.23254	0.5
295.22812	100.0
297.11880	0.8
297.24371	6.3
303.21243	0.5
395.28003	0.6
409.30032	0.5
420.08408	0.5
548.81989	0.5
557.33313	8.3
743.89325	0.5
853.44611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43297	0.4
61.98832	100.0
62.23815	0.4
70.54043	0.4
94.31954	0.5
102.53252	0.4
112.07686	0.9
129.10320	0.7
130.08775	0.7
130.91718	0.4
131.09154	0.6
208.15398	0.6
222.15240	0.6
225.16057	2.1
226.16499	2.2
227.16754	0.9
450.43274	0.6
592.44202	0.5
775.58313	0.7
788.40277	0.6
791.59033	1.0
792.58667	1.9
793.59045	13.2
853.57727	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20451	0.3
81.62139	0.3
84.44921	0.3
106.72213	0.4
108.01231	0.4
119.04987	4.2
135.04608	0.5
135.07330	0.4
151.00343	0.9
161.02422	1.8
163.04007	15.3
173.04570	1.7
178.99879	0.6
179.03583	0.8
191.05664	2.0
212.50858	0.4
223.05817	0.4
246.78629	0.4
255.03008	0.6
264.29337	0.4
271.02521	8.6
273.50748	0.4
287.63275	0.4
299.01996	100.0
300.02783	16.1
301.03561	7.4
335.07599	0.7
337.09265	7.7
462.07919	0.9
560.11755	7.3
595.12885	2.5
757.18378	24.0
855.22113	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77365	1.1
61.98824	7.5
63.03283	1.2
63.87465	1.1
71.01367	3.0
81.00517	1.2
90.03549	1.4
96.95993	3.4
101.02436	2.3
121.02904	1.8
150.03174	2.1
153.05528	7.5
160.02873	1.5
160.05266	7.4
162.46107	1.5
163.03999	1.8
164.04758	2.2
175.07625	17.9
177.05559	3.1
178.06386	9.7
181.01437	2.0
182.02176	7.1
183.02950	5.7
192.07954	3.3
193.05022	1.6
193.08701	2.2
197.04573	55.4
204.74872	1.4
206.27066	1.6
302.75137	1.5
315.12494	2.3
326.06512	20.8
329.13950	36.8
341.08823	33.3
380.84824	1.5
395.85272	1.9
553.13281	1.4
643.46002	1.5
701.24512	8.5
753.62744	1.4
855.23950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02387	7.7
174.29459	5.5
276.34982	6.9
311.09116	10.9
323.12912	31.8
326.11703	34.3
341.14059	25.6
361.15094	31.6
370.10507	8.6
373.10312	6.4
385.12961	38.4
397.12881	100.0
415.13962	14.0
457.15390	58.4
573.86963	6.7
759.29437	31.8
855.28375	91.2
855.42615	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	0.9
67.01889	1.8
71.01377	0.7
81.00273	0.4
85.02952	0.7
87.00865	6.5
92.22587	0.5
93.03450	19.7
93.04029	0.9
93.81019	0.4
98.97840	0.5
104.64649	0.5
111.04520	4.1
134.03749	2.5
139.17474	0.4
155.03444	0.8
173.04555	11.6
191.05635	100.0
192.05984	0.5
193.05045	7.0
357.42401	0.6
367.10379	55.2
855.27930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	1.5
61.70694	0.3
61.98103	0.3
67.01881	1.8
69.03465	0.6
71.01384	0.8
81.03450	0.4
85.02946	0.5
87.00869	5.2
93.03452	21.4
111.04513	4.9
129.01913	1.4
134.03703	2.3
149.06061	0.6
155.03476	1.3
173.04572	9.5
175.03983	0.8
191.05626	100.0
193.05058	8.1
217.03864	0.3
300.77655	0.4
367.10397	56.1
491.38577	0.4
499.88898	0.4
822.26062	0.4
839.38080	0.4
855.25818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	2.3
83.05045	1.1
83.47185	1.2
84.06196	1.0
91.05509	1.1
97.02949	5.0
105.07066	2.6
107.74950	1.1
108.05812	5.2
109.02956	1.9
111.04514	5.8
113.06092	5.0
115.71996	1.2
121.06593	1.2
123.08154	4.6
123.23843	1.1
125.06085	16.4
136.05367	2.0
137.05972	1.4
138.06897	9.1
139.07655	21.4
149.06053	1.4
151.07645	52.3
152.04865	4.1
152.08405	17.0
153.09224	26.8
159.11816	1.5
161.09744	2.3
163.07643	7.1
167.07144	2.6
186.10570	2.0
201.12891	20.3
203.10753	1.8
204.11569	31.9
219.10429	1.4
219.13908	57.5
263.12915	93.5
268.03772	13.6
272.86786	1.2
276.47345	1.2
283.06149	100.0
324.58081	1.2
420.86099	1.3
530.07239	1.4
591.17206	6.8
693.28424	1.3
855.30359	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54508	0.3
70.64534	0.3
72.99297	4.2
75.21914	0.3
81.06767	0.3
92.23101	0.5
119.05025	5.8
135.04526	15.4
137.43172	0.3
143.27695	0.3
163.04012	30.6
181.05072	100.0
239.65663	0.3
291.05460	0.8
305.06961	1.9
306.07758	1.8
308.09222	0.4
312.05121	0.4
320.09314	3.2
321.10242	0.7
367.10651	0.6
518.18231	3.6
673.25952	4.0
832.35016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82481	0.8
71.01368	4.2
78.95897	4.0
78.98586	1.5
79.95748	10.3
79.96153	1.3
80.96513	32.8
81.86725	0.9
82.06631	0.9
85.02905	1.4
90.43133	0.9
94.98073	10.9
97.02957	1.0
101.02461	1.5
106.98118	1.4
119.47367	0.9
122.97524	1.7
125.02451	2.2
134.97556	4.8
136.99094	1.6
137.34801	0.9
145.92494	0.9
146.82503	0.9
148.99123	6.0
150.19313	0.9
152.98610	6.5
152.99684	1.5
164.98631	16.6
167.84213	0.9
198.40430	1.0
206.99655	1.9
225.00772	31.9
277.21686	5.9
279.23178	7.2
283.05005	1.2
291.68130	1.0
364.25058	1.0
397.36407	1.0
505.24506	0.9
559.25354	1.0
561.27386	3.7
575.25665	2.0
855.49487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	2.4
78.98577	2.2
79.95734	9.0
80.96514	34.6
82.52422	1.6
94.98074	10.2
97.91738	1.7
106.98055	2.0
125.02451	3.4
134.97556	3.2
148.99171	11.0
152.98610	8.2
164.98637	16.6
204.70749	1.6
206.99727	2.3
225.00745	26.9
283.05130	2.1
433.14514	1.7
575.25781	2.1
855.49512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05048	7.9
109.06556	8.5
123.08161	18.1
141.14142	7.9
171.10359	8.6
183.10269	99.4
211.15140	8.3
239.16470	31.1
245.19104	12.8
253.09462	8.9
262.15814	7.6
289.18161	85.8
291.19531	16.8
309.20691	96.0
325.20306	100.0
327.22043	8.3
393.48547	10.8
396.23901	8.1
459.42471	9.1
477.87204	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56072	0.8
64.45276	0.9
71.05006	1.0
79.08443	0.9
81.03497	1.0
83.04993	1.0
105.15497	0.9
107.47866	0.9
109.06585	3.3
111.04530	0.9
125.09712	4.1
137.09749	1.7
149.09837	0.8
171.10281	1.8
173.38136	0.8
183.10225	1.8
245.19276	2.9
251.16606	1.2
263.20169	11.8
279.19659	12.9
289.18097	18.8
293.21371	3.6
307.19223	25.4
309.20508	1.9
325.20239	100.0
327.21564	1.0
537.54767	1.2
794.96832	1.0
877.07050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61489	0.1
61.91570	0.1
89.68243	0.1
97.02929	1.3
107.93475	0.1
124.82845	0.1
249.44482	0.2
255.23303	100.0
326.88480	0.1
343.13855	0.9
353.26822	0.7
501.34927	0.2
599.38135	0.9
855.62018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38939	0.1
72.88023	0.1
85.02956	0.8
88.87926	0.1
93.03460	0.5
96.14950	0.1
96.95428	0.1
100.51041	0.1
109.02975	0.2
114.39681	0.1
133.02979	0.2
135.04509	0.5
161.02441	1.6
173.04504	0.3
179.03551	0.6
191.05630	100.0
340.11987	0.9
342.12491	0.1
353.08826	31.1
502.17438	0.2
701.06897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38939	0.1
72.88023	0.1
85.02956	0.8
88.87926	0.1
93.03460	0.5
96.14950	0.1
96.95428	0.1
100.51041	0.1
109.02975	0.2
114.39681	0.1
133.02979	0.2
135.04509	0.5
161.02441	1.6
173.04504	0.3
179.03551	0.6
191.05630	100.0
340.11987	0.9
342.12491	0.1
353.08826	31.1
502.17438	0.2
701.06897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69865	1.8
72.99301	33.2
89.73167	1.8
91.91811	2.1
96.26998	2.0
98.00528	2.1
105.61591	2.0
123.04532	8.2
135.04526	11.0
155.74680	1.9
176.56363	2.2
179.03497	52.2
183.63512	1.8
191.05617	10.2
197.04582	100.0
310.10941	2.9
325.13269	12.7
340.15634	4.4
359.09799	4.2
374.56982	2.2
374.62219	2.0
406.96207	2.4
497.13196	8.3
515.14099	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87364	0.6
71.68369	0.7
72.99307	36.3
86.36381	0.9
93.03429	1.0
111.04494	1.3
123.04523	6.6
133.01369	1.1
135.04530	12.2
179.03505	53.5
190.52742	0.8
191.03986	1.3
191.05621	16.1
197.04561	100.0
198.04901	0.8
215.05626	0.9
229.41447	0.7
258.57721	0.8
295.87842	0.8
310.10938	1.8
325.13165	13.0
340.15497	8.6
341.08649	1.3
359.09851	5.9
497.13043	8.3
515.14099	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85711	0.7
72.99307	34.4
79.46777	0.6
93.03472	0.6
111.04494	2.5
123.04530	7.4
135.04527	9.8
142.61253	0.6
151.03888	1.0
155.03569	0.7
179.03502	45.7
186.27568	0.6
191.05652	3.2
197.04570	100.0
310.10855	1.4
325.13226	7.6
340.15506	3.6
341.08820	1.1
359.09839	5.7
398.26111	0.7
467.61996	0.7
497.12958	6.4
515.14124	79.6
524.23334	0.7
760.56824	0.9
812.61438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22142	0.8
76.78452	0.8
77.30705	0.7
78.27214	0.7
92.23005	1.2
105.90848	0.9
136.05254	1.0
149.02446	1.0
150.03204	4.9
159.04504	3.3
160.05302	13.8
161.06085	1.3
163.04041	4.8
164.04802	7.0
173.06061	1.1
175.07642	35.0
177.05562	7.2
178.06335	19.2
190.06348	1.1
192.07944	14.9
193.08720	5.3
205.08638	1.1
305.07025	4.7
314.11841	1.1
328.13315	1.3
329.13983	100.0
333.99472	1.0
341.13931	1.0
343.15558	5.9
359.14987	8.8
373.16385	1.5
521.20123	3.1
620.97754	1.1
694.26678	73.7
790.81836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.319
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14551	0.4
64.25340	0.4
67.67960	0.4
69.26070	0.4
71.01376	1.0
71.83240	0.4
74.37286	0.4
79.88280	0.4
81.85164	0.4
88.90879	0.4
97.32652	0.4
111.00850	0.5
113.02464	0.4
121.02907	1.6
122.03703	0.9
123.04491	0.7
133.59441	0.4
136.05299	1.7
137.06078	0.5
147.04541	1.0
149.02451	1.8
149.06032	0.6
150.03261	4.0
151.03967	0.9
153.05544	1.0
159.04510	2.8
160.05283	14.6
161.04739	0.5
161.06108	1.9
163.03973	3.5
164.04799	7.0
173.06097	2.1
174.06911	0.5
175.07628	37.6
177.05566	9.3
178.06346	19.4
184.90204	0.4
190.06389	1.0
191.07137	0.6
192.06316	0.7
192.07933	12.2
193.08679	6.7
204.10205	0.4
205.08585	0.8
223.09860	0.8
274.08807	0.8
284.10703	0.5
296.10556	0.7
299.12894	0.7
305.06866	4.0
314.11633	1.9
320.09106	0.9
328.13367	1.8
329.13965	100.0
343.15512	4.9
358.14218	2.1
359.15027	10.9
373.16818	2.0
491.18921	0.5
521.20319	2.1
598.17590	0.4
694.26624	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49752	0.2
79.05717	0.2
79.95720	1.7
96.96005	100.0
97.64525	0.2
119.03516	0.2
215.39265	0.2
252.35544	0.2
254.75136	0.2
857.26257	0.3
878.81726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17741	0.5
67.01888	0.7
71.01382	0.7
72.45539	0.4
74.16712	0.5
83.04998	0.5
83.14074	0.4
89.02466	0.8
93.03446	7.7
111.04523	2.5
134.03699	0.5
135.04526	32.2
137.02460	6.2
155.03496	4.5
161.02502	3.3
173.04552	90.8
179.03508	65.3
180.07558	0.6
191.05629	42.6
212.92613	0.5
271.09689	1.0
286.08344	0.7
301.10977	0.7
307.43268	0.6
353.08826	100.0
384.30273	0.6
539.96649	0.6
547.29877	0.6
683.21735	0.7
844.59344	0.6
857.26288	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89645	0.3
69.20746	0.4
74.47279	0.3
78.78641	0.3
82.36422	0.3
83.05004	0.3
93.03477	2.2
93.58983	0.3
111.04516	2.0
119.05018	29.3
137.02441	1.2
155.03505	4.3
160.06032	0.3
163.04013	100.0
173.04552	28.5
173.06088	0.5
191.05627	10.1
257.88788	0.3
271.09955	0.3
279.71823	0.3
280.18079	0.3
312.21973	0.3
337.09341	57.1
356.35117	0.4
852.42651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	0.8
67.01877	2.0
71.01375	1.8
85.02942	0.5
87.00879	4.2
92.22532	0.4
93.03447	24.6
94.20947	0.3
111.04518	6.2
113.89513	0.3
117.03441	0.4
125.16782	0.3
127.03990	0.4
129.01875	1.4
134.03723	8.3
137.02434	1.6
149.06116	1.6
153.81206	0.4
154.85286	0.4
155.03485	2.9
173.04543	41.3
191.05623	100.0
193.03349	0.8
193.05074	21.3
193.06815	0.7
211.07646	0.4
367.10370	83.9
460.06277	0.4
489.16144	0.6
530.91858	0.4
591.21216	0.4
747.90808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.288
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70459	0.9
72.03496	0.9
81.15214	0.9
117.03432	2.2
122.03739	2.0
127.12629	1.0
134.03741	65.2
135.04480	1.6
147.04446	1.2
149.02402	5.1
149.06084	16.9
150.03220	38.3
156.54068	1.1
160.01697	9.5
161.02463	1.2
163.03961	1.9
164.04826	11.2
165.05571	44.7
175.04018	19.7
176.01094	1.4
178.02702	4.4
179.03526	1.2
179.07053	1.7
180.04257	2.3
180.43069	0.8
183.55785	1.0
190.01064	1.1
190.02737	23.9
191.03502	5.9
191.05556	0.9
193.05086	49.5
195.06679	7.1
205.05081	63.8
208.03790	2.3
209.04550	1.9
223.06171	13.3
467.15555	5.5
485.17023	1.5
660.20764	11.3
661.21576	50.6
663.22870	2.0
839.27832	1.7
857.28839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36294	0.3
75.13427	0.5
80.76241	0.5
81.10559	0.4
87.77483	0.4
89.27394	0.4
93.35169	0.4
97.02953	1.9
105.34632	0.4
121.82736	0.4
123.04549	0.5
135.11784	2.0
142.81999	0.5
149.05972	0.4
149.94086	0.4
161.09695	0.6
179.10789	11.3
205.08644	2.1
223.09760	35.6
268.03784	17.8
268.06674	0.4
283.06140	100.0
425.58984	0.5
538.13513	0.4
614.68658	0.4
633.18817	0.5
685.03302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12606	1.1
69.13310	1.1
71.01370	1.9
78.77525	1.1
101.02449	1.7
107.43993	1.4
113.02458	1.3
135.04440	1.4
137.61359	1.0
149.02464	5.5
151.13739	1.2
152.01151	1.7
163.04060	1.3
164.04787	19.3
175.00308	6.9
179.07178	1.6
190.02736	56.7
205.05070	100.0
206.05881	1.8
209.04541	7.2
221.08269	6.1
223.06102	22.7
237.07695	2.2
251.05638	2.7
265.07178	5.9
311.07910	4.7
326.29047	1.3
623.32532	1.5
769.27252	86.2
857.28607	41.8
858.96613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94329	0.4
71.01386	5.2
73.02960	2.5
80.36945	0.5
85.02950	2.7
89.02415	2.2
94.91412	0.5
95.01350	0.6
99.00881	0.5
101.02441	8.2
113.02411	2.3
119.03445	0.5
123.04527	0.7
130.06599	3.3
133.01495	0.7
142.06612	2.3
144.04570	4.1
144.08188	10.9
145.05379	0.6
146.06120	35.9
156.08177	1.0
158.06085	1.9
160.07675	5.7
161.02452	0.9
161.04590	1.9
164.07210	0.8
170.06113	3.9
172.07715	0.7
174.05754	0.6
174.09270	3.6
180.10275	0.9
186.05618	7.8
188.07181	28.8
190.05128	2.8
197.04659	0.7
200.07074	0.6
200.48730	0.6
206.08229	2.6
218.08263	2.8
232.06229	4.7
233.35150	0.6
299.09488	0.6
300.12445	1.1
308.11465	2.3
311.09402	2.0
327.10916	0.8
342.13547	14.9
352.10419	100.0
383.96689	0.5
465.47784	0.5
504.18997	10.2
581.81793	0.7
594.77472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54932	0.6
71.01357	3.6
72.18243	0.6
98.76439	0.7
135.04535	1.1
135.98718	0.6
137.02440	3.0
138.03116	0.7
150.03201	4.1
151.04083	0.9
165.01924	19.8
165.05571	9.3
166.02692	4.1
168.04305	1.3
176.04742	0.9
177.01962	2.9
177.05492	0.7
179.03513	5.7
179.07111	0.7
180.02727	1.2
180.04297	33.5
181.05092	12.9
182.05856	32.3
182.07486	1.1
182.35866	0.7
191.03583	0.9
191.05643	3.6
191.07153	0.9
192.04306	12.5
193.05069	0.8
194.05829	6.9
195.03030	1.1
195.06653	36.6
196.07397	6.7
197.08214	28.5
207.06653	10.4
208.07405	10.1
209.08252	4.9
210.05359	9.3
223.06171	0.9
223.09729	5.5
225.07770	8.3
236.06961	6.1
239.09108	0.9
247.59537	0.6
251.09262	35.0
252.70001	0.9
269.10287	7.2
301.07095	4.6
315.08804	15.9
316.09464	5.7
327.09125	0.7
330.11163	13.2
331.11911	4.5
346.10632	0.8
361.13031	5.3
367.10373	1.0
383.96893	0.8
479.13327	1.0
546.94379	0.7
587.21710	0.8
659.23608	4.1
661.24945	1.0
691.19067	0.7
809.29565	1.5
829.97961	0.8
857.32471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91107	3.1
65.89646	2.9
66.70103	2.9
86.07691	3.4
96.96001	4.9
116.22878	3.6
150.03246	28.6
161.02425	21.1
165.01901	21.4
165.05542	73.2
176.04787	25.6
179.03487	33.8
179.07092	3.3
180.04286	46.0
187.39653	3.5
191.05658	4.7
191.07228	13.7
193.10150	3.5
194.05858	86.3
195.06651	100.0
209.08171	62.4
210.05391	4.8
225.07730	7.9
274.42715	3.6
303.70740	3.6
361.00211	4.0
373.12936	23.6
387.14304	5.1
392.81357	3.6
421.15106	83.7
435.16742	4.0
451.16019	7.4
599.21472	21.1
647.23621	31.1
850.38690	4.7
857.33795	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12642	0.7
71.01362	1.2
78.86261	0.8
89.02444	1.0
96.96005	42.2
101.02460	1.1
104.05447	0.8
112.24683	1.0
155.67107	0.9
267.55655	0.9
329.38425	1.0
377.14163	6.3
444.56067	1.0
488.52829	1.0
501.88058	0.9
514.40173	1.0
533.25842	100.0
714.85736	1.0
797.44965	1.5
857.36462	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28879	0.8
71.01381	11.3
73.02956	3.1
73.24725	0.7
76.30110	0.8
83.01373	1.2
85.02930	2.0
85.89677	0.9
87.00886	3.2
89.02441	14.3
95.01360	0.8
97.02953	1.3
101.02441	13.6
109.68761	0.9
113.02444	5.7
116.92858	6.6
119.03493	1.9
125.02447	6.4
139.88560	0.8
143.03563	1.4
161.04581	3.5
169.12392	1.3
179.05676	1.4
181.12381	4.7
199.13416	100.0
221.06554	1.0
235.08182	4.4
241.58228	0.8
277.21738	55.8
287.07596	1.1
305.08987	1.5
379.12506	9.2
392.96347	0.8
397.13596	33.3
415.14874	6.5
459.34927	1.8
579.26843	12.1
597.27875	10.1
657.34540	6.1
675.36102	7.9
857.48694	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06384	1.4
69.20539	1.5
71.01402	1.4
73.89124	1.3
78.95892	5.7
78.98586	2.8
79.95732	2.0
80.96509	29.2
92.23081	2.6
92.48880	1.4
94.98073	9.2
106.98075	1.9
122.97553	1.6
124.66150	1.6
125.02399	1.7
128.05850	1.4
134.97578	3.0
148.99135	7.1
152.98595	3.5
164.98639	14.5
193.45425	1.7
206.99750	3.5
225.00726	23.2
241.01178	3.2
268.30865	1.7
279.23315	21.3
328.82150	1.6
577.26837	2.3
736.01135	2.0
857.51166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.51
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80237	0.9
61.96794	1.0
68.63007	1.1
71.01385	1.4
78.95908	1.2
78.98598	2.5
79.95738	2.4
80.96513	36.1
84.08585	1.2
85.02962	1.8
94.98084	9.7
101.93442	1.3
106.21767	1.3
122.97541	2.7
125.02417	2.2
127.03967	1.5
134.97586	4.8
139.74789	1.2
144.21671	1.2
148.99147	2.3
152.98613	6.3
154.35597	1.3
161.53954	1.4
164.98605	14.3
206.99718	2.2
225.00792	25.0
258.20700	1.3
274.00760	1.5
279.23334	9.6
493.31619	1.8
680.25128	1.6
857.50995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	13.4
73.02942	8.8
83.01376	5.1
85.02946	9.7
89.02416	2.3
95.01359	1.1
99.00902	1.5
101.02435	22.7
111.00877	1.2
113.02473	8.7
121.02959	1.6
127.46434	1.0
129.01926	1.2
133.02934	6.8
134.03719	1.0
141.01852	1.2
145.02937	1.8
146.03703	1.9
147.04539	1.3
149.02431	18.9
149.06079	2.1
150.03217	21.3
161.06125	2.3
162.03215	4.6
163.03987	1.1
164.04771	13.6
165.05559	36.2
166.06363	2.4
177.05562	1.2
180.04280	5.0
181.08746	11.1
195.06659	11.2
262.08939	1.4
288.06818	1.2
306.07797	1.6
314.11737	10.7
315.12271	3.4
329.13937	23.6
343.14175	9.4
357.15509	1.0
393.22864	1.0
491.19284	100.0
503.19418	11.2
521.20410	4.7
539.21399	63.9
642.13171	1.2
756.44257	1.2
784.88800	1.4
858.29602	40.3
858.55420	1.6
858.97333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
79.70529	1.1
84.16656	1.0
95.74390	1.0
100.83614	1.1
103.58244	1.2
146.03773	4.0
149.02393	7.8
150.03195	11.2
161.06107	1.8
164.04807	16.1
165.05551	52.3
179.07156	13.7
180.04260	2.2
191.07153	1.2
195.06665	18.8
195.15610	1.0
276.06674	9.7
277.07449	21.1
289.07236	1.1
290.08252	25.8
291.09052	6.8
292.06287	1.6
292.09622	1.8
303.39276	1.0
304.06238	9.4
305.06979	33.1
307.08636	1.5
312.10098	34.9
318.07813	13.5
319.08664	11.1
320.05692	12.3
320.09265	69.5
322.10733	8.8
327.12408	85.9
370.09003	1.3
375.14532	100.0
537.19537	2.2
681.92725	1.1
696.24182	1.8
858.29401	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94965	0.3
61.11312	0.4
71.01379	0.6
73.02955	0.3
73.52991	0.3
85.03001	0.3
88.00872	0.3
101.02422	0.4
113.02466	0.5
121.02969	0.4
121.92816	0.3
136.05267	0.6
150.03238	2.6
159.04546	1.2
160.05298	7.5
161.04590	1.4
161.05998	0.6
163.03995	1.8
164.04800	3.8
173.06058	0.7
175.07648	22.3
177.05606	4.1
178.06348	12.2
181.52480	0.3
192.07938	8.0
193.08722	4.1
228.01303	0.4
252.79605	0.4
261.07794	0.5
263.09378	0.6
264.10342	0.7
276.10379	0.7
278.08105	1.3
292.09644	0.4
305.07080	0.4
306.07730	5.5
314.11768	1.4
320.09229	1.7
321.10071	5.7
329.13983	100.0
336.12421	1.9
359.15042	35.2
366.11890	0.5
372.21057	0.4
491.19312	1.7
521.20319	23.0
621.11011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	4.2
75.00871	3.5
76.60674	0.5
85.02947	6.7
87.00871	3.3
89.02444	3.4
95.01373	0.9
99.00895	1.4
101.02426	0.6
103.00358	1.0
105.56520	0.6
106.42087	0.6
106.43792	0.5
113.02444	23.1
117.01943	0.6
129.01953	1.4
131.03476	1.1
135.04527	10.2
149.04568	0.7
161.02440	16.5
173.04593	7.6
175.02477	1.0
179.03477	16.5
188.55229	0.7
191.05632	7.6
213.95775	0.6
249.06157	7.7
253.07169	3.6
267.07233	92.2
303.07230	0.6
353.08777	6.7
429.10422	100.0
505.15704	1.2
691.39398	0.7
693.11261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93935	0.5
60.99311	2.8
67.01886	4.7
69.90302	0.4
71.01371	3.8
72.01293	0.5
81.03459	0.7
87.00871	13.3
93.03450	66.0
99.00893	1.0
109.02957	0.6
111.04504	13.0
113.02435	0.8
115.04053	0.6
123.04514	3.9
126.13167	0.6
129.01906	1.9
130.33794	0.6
134.03737	1.3
145.74461	0.5
149.06075	2.6
155.03497	4.0
156.18494	0.7
173.04556	40.1
178.02725	1.1
191.05658	12.2
193.05098	13.5
197.04552	2.1
329.08820	2.0
396.74805	0.6
517.69366	0.6
529.15674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91905	0.4
67.31710	0.4
72.99304	26.5
101.02434	0.8
123.04507	6.0
135.04538	6.5
136.65158	0.4
151.47276	0.4
153.05608	0.4
156.46777	0.4
179.03506	29.8
192.54576	0.4
197.04568	100.0
228.08954	0.5
359.09885	80.4
593.96442	0.5
624.94104	0.5
721.40155	0.6
838.61639	0.7
859.27948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	38.0
87.55786	0.5
94.82219	0.5
123.04516	9.5
130.60081	0.5
135.04546	10.6
154.66554	0.5
179.03505	46.0
181.27556	0.6
191.05515	0.6
197.04564	100.0
238.42239	0.6
239.81784	0.6
280.24957	0.6
342.67191	0.5
359.09869	10.8
428.01721	0.5
457.13605	86.8
499.98721	0.6
632.89624	0.6
742.79004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	5.3
73.02950	1.2
84.56490	0.6
85.02942	5.6
96.43409	0.7
97.02954	3.9
101.02442	4.8
105.08935	0.8
108.76402	0.7
111.60215	0.7
113.02444	4.4
115.03998	15.0
115.54987	0.7
125.02422	1.0
136.98650	0.7
137.99605	0.9
139.00359	5.4
140.01120	0.9
143.03464	0.8
151.04065	0.8
152.01146	4.4
153.01933	95.5
154.02719	27.5
155.03513	1.6
159.03052	0.8
161.04552	24.3
167.03496	11.6
168.04271	100.0
169.05057	55.4
177.49034	0.8
194.02220	0.9
265.92984	0.8
292.48663	0.8
318.21878	0.9
331.10394	36.6
429.14035	49.3
455.84717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88892	0.4
72.99306	36.0
83.12558	0.4
86.88641	0.6
123.04530	8.2
135.04538	9.0
151.04033	0.6
173.79347	0.5
179.03511	46.6
194.30331	0.5
197.04576	100.0
215.05608	0.7
303.98904	0.5
341.08994	0.6
342.47787	0.6
359.09885	14.3
402.42139	0.6
457.13614	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69006	0.3
72.18261	0.3
97.02927	0.5
99.00863	0.7
100.56767	0.4
113.10956	0.3
116.49815	0.4
125.09753	0.4
126.45911	0.3
137.46954	0.4
138.45018	0.3
150.57298	0.3
159.75974	0.4
163.11249	2.5
181.12350	12.9
197.11818	0.4
207.10280	24.3
225.11339	59.6
268.03793	19.4
268.06760	0.5
283.06140	100.0
418.57181	0.4
462.46997	0.4
464.92300	0.4
633.18494	7.6
696.74194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.9
71.65150	0.7
81.48666	0.7
81.87779	0.7
89.02424	0.8
94.20570	0.9
94.98087	2.0
96.96003	44.0
101.02450	1.5
149.04604	4.0
179.03461	1.2
180.20245	1.0
187.44246	0.9
197.04533	1.8
205.04793	0.9
259.81158	1.0
391.05457	0.9
697.32745	95.6
702.97577	1.1
859.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.462
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	21.4
90.95565	1.0
92.23142	1.2
96.96950	6.9
97.06597	2.0
112.90903	1.3
123.08149	1.3
125.09696	7.3
135.08159	27.8
152.99580	11.6
205.16129	1.4
211.13274	1.5
223.00134	1.9
241.01224	27.7
249.14989	22.9
255.23289	33.0
279.23166	2.0
283.53192	1.1
297.03769	1.6
305.17612	5.5
315.04898	1.4
589.62573	1.3
859.46191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.2
85.02932	1.1
89.02438	7.3
90.32199	0.9
91.21698	0.9
92.53107	0.9
95.32813	1.1
96.97443	0.9
99.34046	0.9
101.02444	5.1
113.02448	3.5
119.03507	2.0
124.38801	0.8
139.11304	32.5
163.67328	1.0
167.74995	1.0
183.10292	21.6
189.59944	1.1
201.11348	65.3
216.56776	1.0
221.06735	3.8
274.75452	0.9
277.21747	12.6
293.21710	1.0
294.35501	1.0
327.26566	1.0
407.59033	1.1
415.13992	1.1
615.75317	1.3
859.47083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83098	0.8
71.01383	5.7
85.02912	0.9
87.00864	1.4
89.02455	6.2
90.08295	0.8
101.02441	7.5
101.04506	0.9
111.08193	0.8
113.02451	3.7
119.03470	1.3
125.02393	1.1
139.11299	29.5
154.34708	0.9
183.10262	17.5
201.11348	36.3
221.06615	1.2
277.19003	1.4
277.21747	25.9
314.64490	1.0
317.21420	1.8
769.99261	0.9
859.47009	100.0
869.10962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
73.09460	0.5
84.32775	0.5
90.87835	0.5
123.04514	3.1
134.03781	0.8
135.04504	4.8
137.06084	4.9
149.06116	0.7
151.03891	0.5
161.02455	10.2
162.03253	1.0
163.04056	0.8
163.06343	0.7
165.07977	0.7
178.02708	0.8
180.10324	9.8
189.04326	2.8
190.05142	2.6
191.05846	2.6
193.05040	4.7
204.06689	3.6
206.08267	2.2
208.78320	0.5
227.06999	0.5
239.07111	0.8
241.05092	4.3
254.05785	0.9
255.06631	1.1
267.06659	1.0
269.08322	2.6
270.11301	2.8
282.11194	0.7
283.09692	0.8
284.06958	2.4
285.10165	4.2
296.06857	2.7
299.09277	6.4
300.12457	6.6
310.10892	3.4
311.09274	18.4
312.09085	1.1
314.14050	2.1
327.11142	4.3
342.13501	100.0
355.10165	0.6
462.07623	0.6
504.18848	81.9
724.24957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	10.3
92.22466	0.4
93.03465	0.6
101.51690	0.5
115.00376	4.8
117.03446	0.9
134.03740	26.2
137.02423	0.7
149.06071	9.2
173.04561	3.9
178.02696	4.5
193.05069	100.0
309.06183	18.5
349.70291	0.6
351.98105	0.5
364.44611	0.5
492.38937	0.5
861.28357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20411	0.6
68.43450	0.6
71.01374	0.8
87.63619	0.6
105.37547	0.6
113.02456	0.7
117.03465	1.4
118.58820	0.6
119.05015	31.3
128.36537	0.6
133.02927	0.7
134.03745	6.7
135.04504	1.0
145.02951	27.9
149.06076	3.2
160.01666	15.7
161.02440	12.3
163.04015	48.5
174.77135	0.6
175.03999	82.9
178.02711	0.8
179.03462	2.2
188.62843	0.6
191.05681	0.9
193.05042	14.9
195.59930	0.6
205.05089	3.5
235.06129	0.9
264.50888	0.6
423.12735	1.0
425.14597	2.4
437.14322	6.8
439.16116	4.4
455.15619	0.8
464.46732	0.7
469.17261	2.4
601.19373	100.0
763.24750	7.4
813.29767	1.2
861.28308	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.8
71.01382	1.1
72.28723	0.2
87.00885	0.3
91.24799	0.2
91.63646	0.2
92.23094	0.4
92.74749	0.2
93.03448	8.7
95.46198	0.2
111.04511	2.9
119.05013	13.1
137.02441	4.0
155.03497	5.1
163.04008	37.6
173.04549	100.0
191.05635	10.6
335.70560	0.2
337.09338	56.9
340.29620	0.3
355.21518	0.2
404.17316	0.2
526.51630	0.3
796.91907	0.3
810.27814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12299	0.4
60.44971	0.4
81.03452	2.8
97.06580	0.6
125.09703	10.6
161.28633	0.5
181.15982	4.0
189.12798	0.5
207.13885	1.1
225.14970	100.0
251.12860	0.9
268.03799	2.1
269.13968	85.0
283.06088	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32990	3.4
71.01373	22.2
85.02982	9.4
89.02438	6.2
96.51323	4.0
97.15448	4.1
101.02450	23.9
102.12920	3.6
113.02430	4.5
159.03050	4.6
161.04572	20.3
274.78506	3.5
308.39352	4.2
338.09747	3.9
442.09729	4.3
607.21320	5.4
643.24188	100.0
661.25946	7.1
703.25891	28.3
861.33636	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	6.1
74.73977	1.3
77.65925	1.5
80.05914	1.6
87.00922	1.7
89.02461	2.0
90.89506	1.6
97.62493	1.5
101.02444	2.9
106.27132	1.4
113.02451	6.1
134.03737	2.9
149.02470	3.7
150.03220	16.5
159.61604	1.5
160.01666	2.5
164.04764	11.2
165.05568	21.5
171.21973	1.4
175.00452	1.9
175.04007	28.6
177.96983	1.5
179.07184	2.9
180.04320	3.5
186.51993	1.6
190.02740	28.4
193.05090	5.8
195.06664	3.4
205.05063	100.0
208.03792	3.1
223.06129	15.1
268.19232	1.8
313.10919	2.2
370.10492	2.4
373.12952	3.4
377.52737	1.6
385.13049	2.5
439.16257	13.2
454.14645	1.5
469.17209	54.3
516.00861	2.0
565.59369	1.9
597.20343	1.8
604.80627	1.7
665.24701	8.9
699.26263	2.1
724.50220	2.1
813.29834	25.4
830.87000	1.9
861.31879	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69634	0.3
63.30327	0.3
68.82340	0.3
71.01373	2.1
73.31272	0.4
79.24000	0.3
84.11110	0.4
88.73322	0.3
90.68913	0.4
101.02435	2.0
101.06093	0.4
103.22031	0.4
110.51490	0.4
113.02415	1.7
132.02144	1.6
133.03012	0.4
134.03746	9.9
137.02452	0.6
149.06140	3.3
150.03206	2.1
160.01659	23.5
161.04561	0.5
165.01956	0.5
165.05528	2.7
173.36172	0.4
175.04004	100.0
178.02686	0.6
179.03474	0.6
180.04294	1.6
193.05086	17.8
195.06612	2.9
207.06607	0.4
371.11044	0.6
424.13654	0.8
439.16153	73.6
465.46228	0.5
528.33813	0.5
556.79663	0.5
665.24713	10.3
813.29858	7.6
861.31964	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15719	0.4
71.01367	1.7
73.02939	0.7
85.02971	2.0
89.65609	0.4
101.02438	2.3
113.02419	0.9
132.02161	0.9
133.03003	0.4
134.03755	11.7
137.02473	0.5
145.93141	0.4
149.02390	0.4
149.06078	3.8
150.03247	3.0
160.01659	25.4
161.02533	0.4
165.01929	0.5
165.05589	3.5
166.97504	0.4
175.04005	100.0
178.02745	2.1
178.77382	0.4
179.19106	0.4
180.04221	0.8
181.05060	0.5
192.04320	0.5
193.05081	21.3
195.06616	3.3
205.05101	0.5
215.63017	0.5
221.04752	0.5
259.85834	0.5
291.59644	0.5
312.10281	0.7
335.22253	0.4
371.11316	0.7
379.93945	0.4
424.14029	0.5
439.16132	54.5
591.21234	0.9
597.19946	2.4
615.20966	2.5
617.22626	0.7
665.24713	2.3
813.29724	5.0
861.32001	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82387	0.7
71.01378	1.8
89.02433	1.7
101.02468	1.3
101.32722	0.8
108.62778	0.7
113.02427	1.2
134.03726	12.1
149.06076	1.8
150.03192	3.9
155.10812	0.9
160.01634	21.1
164.04810	1.4
165.05598	6.2
175.03998	100.0
177.05600	1.0
178.02747	1.2
180.04314	1.0
193.05054	18.4
195.06694	1.4
205.04996	1.6
213.11348	1.7
216.14003	0.8
281.46930	0.9
306.04004	1.1
327.83340	1.0
336.08765	1.1
337.09146	1.1
343.21451	0.9
424.13324	0.9
439.16095	57.1
469.17026	1.3
499.14221	1.3
530.46149	1.1
553.50818	0.8
597.19818	1.6
615.20758	1.8
665.24365	4.2
813.29407	4.7
861.31976	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53766	0.3
69.78161	0.3
71.01375	1.4
81.01855	0.3
85.02921	0.4
89.02439	0.8
101.02417	1.7
113.02445	0.7
117.03373	0.3
121.85049	0.3
128.84975	0.3
132.02156	0.5
134.03743	10.0
137.02448	0.5
149.06087	2.7
150.03236	1.6
153.75673	0.3
159.55856	0.3
160.01654	24.3
161.02432	0.4
161.04510	0.4
165.05556	2.5
175.04007	100.0
178.02759	1.4
179.03543	0.5
180.04321	1.3
183.56175	0.4
184.54817	0.4
188.33064	0.4
192.04233	0.4
193.05078	17.6
193.48662	0.4
195.06653	2.6
210.05286	0.4
235.06134	0.5
236.64871	0.3
312.09946	0.3
353.42682	0.4
353.93900	0.3
371.11255	0.5
421.14838	0.4
424.13492	0.6
439.16150	69.1
461.97238	0.3
540.65936	0.3
617.22742	0.5
665.24725	10.3
726.09210	0.4
802.93573	0.4
813.29773	7.3
861.32373	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
78.99416	1.6
96.96006	1.5
105.51253	2.0
113.02478	1.8
125.81126	1.7
134.03743	75.4
136.01663	4.1
148.05237	5.9
149.06082	88.0
153.05589	3.1
160.01585	1.8
161.70355	1.6
165.05534	3.1
169.70514	1.6
175.04022	9.0
187.82324	1.5
192.04288	9.0
193.05089	23.4
207.06689	2.8
215.10228	1.5
265.07578	1.9
271.73129	1.6
367.32043	1.6
397.14886	9.4
403.14038	100.0
591.21039	13.8
801.30377	14.8
801.43860	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4498
Annotation	Etamycin B
Peak:m/z	Relative Intensity
67.90466	0.8
71.01382	6.6
89.02449	8.5
97.06554	3.2
101.02440	6.2
106.50436	0.8
113.02443	1.7
114.82557	0.9
119.03521	1.2
123.08174	0.8
125.02424	1.3
125.09715	54.0
161.04492	1.8
171.10165	1.0
183.13861	0.9
187.09766	62.8
221.06583	3.0
235.17084	1.2
275.20154	3.6
293.21271	6.9
338.68362	0.8
585.24048	1.9
725.30493	1.0
861.44965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	5.6
83.01366	0.5
85.02940	0.8
87.00848	1.0
89.02435	7.5
97.06590	3.2
101.02445	7.3
110.22877	0.4
113.02432	2.9
119.03481	1.0
121.10207	0.7
123.08154	1.1
125.02427	0.7
125.09714	43.9
125.59473	0.5
127.41918	0.4
130.87204	0.5
161.04527	0.6
161.11600	0.5
165.08426	0.4
169.08667	1.0
171.10262	3.4
187.09770	35.4
195.13933	2.5
221.06630	1.1
223.13300	1.0
235.08282	0.9
256.13437	0.6
275.20166	8.6
293.21243	10.5
308.02344	0.5
349.67914	0.6
393.87259	0.5
419.74332	0.6
452.14355	0.5
533.94696	0.5
861.44989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
131.58998	0.3
132.41875	0.3
140.43819	0.4
145.83270	0.3
167.13103	0.4
167.14413	9.1
167.41096	0.3
184.17125	0.4
184.92570	0.3
189.57768	0.3
210.15022	2.1
211.13397	21.8
219.12790	0.3
220.54355	0.3
228.16046	100.0
229.14421	6.2
268.03778	5.3
283.06137	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34345	0.3
66.71397	0.4
67.43162	0.3
78.95898	27.6
96.96956	3.1
140.01125	0.4
150.97955	0.4
152.99580	100.0
171.00644	2.3
196.03735	0.5
214.04900	0.6
255.23302	65.4
409.23642	56.9
429.57474	0.4
452.27896	31.8
507.51160	0.4
719.88629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83839	0.4
78.95901	31.3
96.96949	2.3
131.77760	0.5
140.01175	1.8
150.98053	0.7
152.99583	100.0
171.00684	2.8
196.03809	5.0
214.04832	0.9
255.23312	55.4
409.23654	58.1
440.93216	0.5
451.41360	0.4
452.27896	34.5
714.04224	0.5
827.37964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12716	0.8
63.88083	0.8
66.41829	0.8
70.58347	0.8
81.17296	0.7
101.86990	0.8
127.96365	0.9
137.07193	0.7
139.04027	4.2
142.05499	1.0
151.04036	6.9
152.81120	0.8
173.06097	1.1
183.80310	0.8
185.03815	0.9
189.43895	0.8
199.37270	0.9
209.06029	0.9
225.05533	1.2
227.10831	13.0
231.59583	1.0
247.98824	0.9
253.05122	5.8
271.09781	100.0
281.04568	11.7
282.05414	14.5
283.06299	7.7
283.09750	93.7
295.06403	1.1
297.07690	20.6
301.91348	0.9
519.16949	1.0
553.15283	3.3
562.76190	0.9
567.16785	13.6
581.18274	82.4
863.23517	25.2
863.49762	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70318	1.1
63.80351	1.3
72.99300	28.9
87.74007	1.2
123.04534	6.1
135.04501	17.9
161.02420	14.6
177.05522	3.1
179.03496	88.6
197.04559	100.0
208.14201	1.5
208.91531	1.3
221.04564	30.9
240.99712	1.4
251.05646	20.1
281.06674	53.7
341.08804	20.1
359.09863	79.9
362.43387	1.6
393.92471	1.4
443.12012	7.8
477.33578	1.4
503.14130	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64758	0.3
72.98893	0.8
72.99303	24.5
75.60574	0.4
123.04516	4.6
129.38283	0.4
135.04536	5.8
179.01923	0.8
179.03505	28.2
197.04572	100.0
251.22362	0.4
255.78838	0.3
258.04117	0.4
299.03067	0.3
359.09885	77.4
519.01624	0.5
521.14850	2.6
863.26984	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52460	0.5
65.07721	0.4
72.99298	3.1
109.42097	0.4
123.00851	0.5
123.04544	0.6
135.04532	1.0
138.03215	5.9
153.05539	5.0
159.27805	0.5
161.02335	0.6
166.32976	0.5
166.99899	0.7
173.04529	0.6
179.03508	5.6
182.02214	26.1
196.32977	0.5
197.04567	100.0
359.09860	19.1
360.91177	0.5
397.94867	0.6
446.64163	0.7
581.29382	0.5
614.14679	0.6
863.27496	0.6
880.10437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43059	0.4
78.87933	0.5
84.50005	0.4
89.14529	0.5
96.31287	0.5
119.05019	15.3
136.01665	0.8
151.04001	6.4
153.82935	0.4
156.32718	0.5
163.04013	32.0
167.39465	0.5
176.04796	0.8
190.06392	0.8
191.07182	3.0
192.85760	0.5
193.05046	1.2
244.06154	0.5
267.06784	0.6
279.06674	0.5
282.08984	9.9
290.12396	0.5
294.09064	3.1
297.11343	100.0
312.10028	5.7
313.09659	0.6
313.63208	0.5
315.12451	2.3
325.09247	4.6
327.09314	1.0
327.12393	50.3
345.13419	5.8
375.14523	24.7
537.19855	78.4
574.49750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98767	1.0
71.01395	1.1
78.23505	1.4
89.02420	1.8
91.26725	1.1
101.02458	1.3
113.02421	1.7
119.03439	1.4
149.02461	16.9
150.03172	1.3
152.01170	2.9
163.04041	2.0
164.04794	46.7
165.01927	19.0
179.03468	5.1
179.07137	13.5
180.04305	46.3
190.02698	9.0
191.46635	1.3
193.01424	1.4
194.05814	2.1
195.06648	85.5
205.05040	19.3
208.01926	1.8
208.03796	49.6
210.05357	16.0
214.25197	1.3
223.06133	100.0
225.07686	23.5
254.53279	1.2
257.86838	1.2
322.43692	1.4
327.08636	4.9
342.10950	2.7
401.12555	5.2
413.14804	2.7
449.14627	70.1
637.21570	32.7
725.46387	1.3
815.27063	1.5
863.29724	65.9
887.93201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30829	0.3
65.45268	0.4
65.61848	0.4
71.01415	0.5
78.42352	0.3
83.05025	0.9
89.02431	0.6
95.05025	2.7
101.02414	0.8
106.04232	0.4
113.02380	0.6
113.06069	0.5
125.09653	0.4
127.07568	0.4
135.08154	1.9
145.02940	0.8
152.19057	0.4
153.09230	0.5
155.03485	0.4
162.75032	0.4
165.05598	0.5
171.10275	9.2
175.04028	0.5
195.06616	0.8
201.11346	2.6
209.11737	3.1
211.13411	5.9
229.14468	15.5
237.14973	1.5
249.14996	0.9
255.16180	0.9
259.15497	0.6
267.15964	0.7
289.18008	2.2
307.19095	0.8
325.20236	2.7
343.21283	100.0
409.14917	0.6
519.18781	1.8
689.78290	0.5
863.33337	1.8
866.54071	0.4
880.52063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.6413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84150	0.1
121.02935	0.2
128.35062	0.1
133.02934	0.9
134.03714	1.5
135.04510	2.1
137.02397	0.8
139.03993	0.2
161.02435	4.9
178.02736	0.9
179.03496	3.5
189.58113	0.1
287.87134	0.1
313.26929	0.1
431.31696	100.0
439.01657	0.1
501.33667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63770	0.2
65.62830	0.3
66.03484	1.6
77.66557	0.3
92.25648	0.3
94.02975	17.6
103.57236	0.3
124.04034	100.0
138.50424	0.3
143.23155	0.3
191.82855	0.3
227.57715	0.3
272.09311	43.2
345.05255	0.4
599.91370	0.3
752.18353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01784	0.8
61.11658	0.9
61.26095	0.8
72.99301	28.2
123.04513	6.3
135.04489	10.1
140.70981	0.9
141.00850	1.0
161.02422	1.3
179.03487	37.6
180.10321	1.3
195.22815	1.0
197.04568	100.0
243.81583	1.1
253.87234	1.2
299.09125	1.5
300.12451	1.7
311.09393	3.9
342.13489	23.7
359.09875	86.4
504.18939	11.0
521.34497	1.2
634.56427	1.1
666.24054	6.1
864.27582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92422	1.5
72.99293	31.1
96.34789	1.8
108.12873	1.8
111.53394	1.6
111.89606	2.0
113.03554	1.8
123.04500	4.3
131.88257	1.6
133.01419	9.9
135.04532	9.7
162.03157	1.9
178.74368	1.9
179.03517	34.9
180.10330	3.6
197.04561	100.0
197.06409	3.4
270.11530	1.9
283.09851	1.9
300.12296	2.8
307.33395	2.1
311.09494	4.4
327.11282	1.9
342.13419	39.3
359.09900	79.5
434.62732	1.9
504.18808	29.5
563.18872	2.1
664.60199	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05601	0.1
66.12590	0.1
72.99301	26.4
74.00082	0.2
109.02966	0.2
117.07231	0.1
118.46843	0.1
123.04507	6.6
123.05405	0.2
127.82247	0.1
134.03758	0.2
135.04520	7.6
137.06084	0.6
138.43498	0.1
151.04024	0.6
153.05565	0.4
161.02441	1.5
178.08691	0.3
179.03505	33.1
180.10298	1.1
189.04315	0.4
190.05136	0.2
191.05774	0.2
197.04565	100.0
198.04964	0.7
204.06641	0.8
206.08215	0.2
215.05623	0.6
239.05466	0.2
241.05074	0.3
255.06744	0.2
269.08453	0.2
270.11444	0.6
283.09793	0.2
285.09998	1.0
297.40427	0.2
299.09348	1.0
300.12225	1.3
310.10794	0.7
311.09238	3.1
327.11273	1.0
341.12292	0.2
342.13492	15.5
359.09879	78.8
360.10263	0.7
406.49417	0.2
504.18839	8.2
783.13037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17374	0.5
72.00492	0.5
72.98895	0.9
72.99303	25.0
90.40839	0.5
123.04532	5.6
135.03491	0.9
135.04521	23.9
135.05524	1.2
143.92139	0.5
151.03922	0.8
161.02448	2.3
162.03165	0.6
166.62009	0.6
179.03502	50.9
180.10324	2.2
190.05075	0.8
197.04568	92.8
204.06726	0.8
215.05717	0.7
218.60541	0.6
241.05209	0.7
285.10025	0.8
299.09091	0.8
300.12381	2.3
311.09335	5.4
327.11084	2.6
342.13501	31.2
359.09879	100.0
383.53336	0.6
504.18860	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59080	16.3
72.99317	100.0
111.78358	15.1
123.63082	17.4
129.06470	14.9
197.04666	14.9
490.71494	19.2
755.79535	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
96.16295	0.7
103.75143	0.8
107.40742	0.8
114.06361	0.7
135.04520	14.3
136.08513	1.0
138.29433	0.9
186.40590	0.7
197.04617	1.3
272.45566	0.9
279.31415	0.8
282.05344	1.0
309.07770	1.1
312.12277	1.3
322.10992	1.4
340.11908	100.0
502.17261	56.8
635.04669	0.9
667.75427	1.0
706.65869	1.0
815.57220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23014	0.2
71.84399	0.1
79.95726	1.0
96.96001	100.0
97.06165	0.2
132.83257	0.2
210.37607	0.2
215.24612	0.2
225.53352	0.2
432.07581	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03149	0.3
72.71941	0.3
79.95744	0.7
80.17385	0.4
82.76801	0.3
96.95998	100.0
200.23450	0.4
205.86119	0.3
208.82591	0.3
346.87112	0.3
386.75882	0.4
432.07574	8.1
479.10974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95735	1.3
96.96000	100.0
105.93156	0.2
113.50685	0.2
153.16229	0.2
253.62622	0.3
432.07553	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
85.68887	0.5
100.82316	0.6
108.51093	0.5
139.23251	0.5
160.04099	1.2
280.06067	2.0
292.06226	0.8
294.04010	4.8
296.09396	0.6
298.23386	0.7
308.05640	14.0
309.06500	13.7
324.08786	100.0
368.07758	11.2
386.07086	0.7
461.95193	0.7
486.14221	0.9
530.13092	58.0
861.13257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
85.68887	0.5
100.82316	0.6
108.51093	0.5
139.23251	0.5
160.04099	1.2
280.06067	2.0
292.06226	0.8
294.04010	4.8
296.09396	0.6
298.23386	0.7
308.05640	14.0
309.06500	13.7
324.08786	100.0
368.07758	11.2
386.07086	0.7
461.95193	0.7
486.14221	0.9
530.13092	58.0
861.13257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.8
72.99303	56.1
78.11751	1.2
86.29204	1.0
91.85411	1.2
97.63902	1.3
101.02456	1.2
113.02462	1.3
123.04519	11.2
135.04524	22.4
151.03999	1.4
159.99991	1.2
179.01927	1.7
179.03506	55.8
197.04565	62.6
205.04959	2.1
223.06050	1.5
305.58920	1.1
391.23508	1.7
432.68942	1.2
523.27557	4.6
865.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48309	1.2
68.72067	1.5
71.01380	39.3
73.02941	100.0
75.82352	1.4
83.01372	20.4
85.02939	8.4
89.02432	15.8
99.00858	2.9
101.02438	85.2
113.02447	33.3
119.03503	7.6
125.02462	2.4
131.03465	7.7
143.03471	7.1
149.04544	19.6
155.03534	2.2
159.03139	1.8
161.04538	35.8
189.12814	1.4
191.05482	1.4
203.05696	2.3
221.06668	26.3
242.72548	1.4
277.16592	10.4
409.20786	53.7
491.06415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24957	0.7
71.01383	2.1
73.14748	0.8
78.98597	3.2
79.95712	5.8
80.96513	27.5
87.00871	1.1
94.98087	8.4
101.02417	1.2
111.73240	0.9
119.87594	0.7
122.97645	0.9
125.02410	1.9
134.97578	2.1
148.99150	4.2
152.98618	7.1
161.62746	0.8
164.98636	15.2
167.10773	1.1
206.99718	5.0
224.98602	1.3
225.00763	32.4
241.00365	1.1
249.18607	1.3
255.23254	3.6
338.43457	0.9
355.07010	0.9
440.08313	1.0
465.23273	1.0
537.27472	3.8
609.25958	3.2
865.49854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71154	1.7
71.01374	2.0
71.05012	2.6
80.96536	2.4
83.08253	1.7
89.02478	2.0
101.02409	2.5
121.06647	2.8
131.07120	4.3
137.09697	2.5
153.99452	1.8
161.48499	2.1
171.10243	11.7
185.11813	4.5
235.08202	8.6
251.16634	8.5
253.09296	12.7
277.21759	100.0
278.21967	3.0
291.19614	20.3
307.19174	1.9
309.20737	34.8
513.30707	11.6
527.28650	8.2
545.29736	9.6
709.16547	2.4
805.50903	10.1
865.50104	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50298	0.3
67.01867	0.7
67.57269	0.3
69.03432	0.4
70.43187	0.4
71.01373	2.0
75.39906	0.4
92.23131	0.4
93.03445	11.5
93.64936	0.4
97.81664	0.4
100.18614	0.4
109.02898	0.4
111.04502	4.4
134.03741	3.5
137.02431	3.3
149.06067	3.2
155.03494	5.5
162.56438	0.4
170.27629	0.4
173.04546	100.0
178.02731	2.6
193.05051	20.1
228.66177	0.4
242.91280	0.4
365.63177	0.4
382.52097	0.5
385.02142	0.5
413.01254	0.5
529.15704	49.7
866.28210	0.7
866.95129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85940	0.5
66.02792	0.5
67.28860	0.5
70.06282	0.6
71.60426	0.5
73.18102	0.6
79.27342	0.6
84.87782	0.6
85.02938	1.3
93.03368	0.7
110.79510	0.6
120.20155	0.5
127.04052	0.7
132.71930	0.7
141.24115	0.6
142.30630	0.6
191.05623	100.0
762.41797	0.7
822.57086	0.7
867.30927	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38112	0.2
65.57944	0.2
66.11547	0.2
67.08202	0.2
101.02419	0.2
111.85783	0.2
123.00878	0.2
134.86743	0.3
153.01883	0.3
153.05531	1.0
158.32803	0.2
165.01936	0.4
176.01167	0.3
180.04295	0.9
191.03514	0.4
192.04266	0.3
193.01427	0.4
193.04964	0.3
194.05730	0.2
195.06645	1.2
207.06641	1.3
208.03787	1.0
223.06100	1.0
268.03778	14.6
283.06125	100.0
325.07153	0.5
457.11700	0.3
497.23145	0.2
577.15643	0.5
597.17023	0.3
656.39258	0.2
687.19525	1.3
705.20306	4.6
722.72681	0.2
723.21613	4.5
747.21368	7.2
765.22485	13.9
779.24152	0.3
807.23706	3.1
867.30548	4.0
873.28320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
72.25042	0.5
80.80262	0.5
109.44063	0.4
122.45366	0.6
143.60094	0.5
144.12106	0.5
160.04060	0.8
169.80544	0.5
191.77745	0.6
214.68906	0.5
280.06067	1.8
292.06464	0.7
294.04077	4.4
308.05670	15.1
309.06451	12.6
310.07260	0.6
324.08817	100.0
330.19370	0.5
368.07779	10.0
446.16080	0.6
469.17670	0.6
486.14233	0.6
530.13129	51.6
567.16504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	3.7
70.82489	1.5
74.83900	1.3
92.74383	1.5
118.58940	1.5
138.03189	6.0
139.39256	1.5
153.01901	2.5
153.05563	20.6
161.02390	1.9
165.01918	9.6
166.02701	1.9
176.01141	12.0
178.02690	3.2
179.03479	2.0
180.04277	19.9
181.05019	9.4
191.03484	14.8
192.04277	7.9
193.01436	9.0
193.05075	6.7
195.06613	19.6
205.05135	2.4
207.06648	34.2
208.03798	31.0
209.04449	1.8
209.08197	3.1
219.06775	1.8
223.06143	28.7
238.78305	1.5
270.93396	1.6
282.03979	1.5
283.06113	3.0
327.21848	1.9
340.21167	1.8
369.64047	1.5
625.26569	1.8
637.40027	2.2
640.22015	7.0
641.22791	2.8
776.87976	2.0
867.30835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85221	0.9
64.43251	0.8
71.01381	15.7
85.02962	3.7
87.00858	1.0
89.02435	28.4
101.02437	20.9
113.02440	11.4
115.04010	13.6
119.03495	13.9
122.04591	0.9
127.99264	1.1
134.03735	14.2
147.78127	1.0
149.06064	1.9
151.06111	4.3
160.01686	12.2
161.02396	1.2
175.04002	77.5
191.07147	5.5
193.05061	50.3
207.06569	1.6
235.06113	24.3
247.02028	1.0
265.06952	1.0
279.10876	27.6
295.08344	4.5
377.14554	58.3
377.42554	1.0
489.16190	100.0
640.94342	1.2
771.77954	1.1
851.95563	1.2
854.95490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17774	1.4
71.56933	1.3
73.02937	1.6
75.70464	1.6
89.02431	2.2
103.77766	1.7
111.16407	1.5
113.02459	2.0
116.67374	1.7
122.85040	1.8
128.78137	1.8
146.08333	2.3
147.04506	2.2
149.02449	13.6
150.03224	2.6
162.80928	1.6
163.03946	1.9
164.04793	72.7
167.71022	1.7
178.06363	1.9
179.07153	18.6
190.02730	6.9
205.05096	24.9
208.03773	3.8
222.05206	3.5
223.06131	73.3
293.64175	1.8
347.14288	1.9
463.16321	17.1
469.17520	14.8
567.20929	100.0
570.63605	2.3
823.40625	2.9
867.35077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44779	0.4
69.01714	0.3
70.32172	0.3
71.01398	3.8
71.32546	0.3
75.81496	0.4
85.02942	0.7
89.02428	4.5
101.02427	4.3
113.02443	2.4
119.03480	1.0
126.48789	0.5
146.74738	0.4
149.02411	0.9
159.12378	0.4
161.86771	0.4
163.04010	2.3
164.04800	6.4
166.02773	0.8
177.05528	0.7
178.06348	2.9
179.05678	0.8
179.07100	4.6
181.05098	0.5
183.06596	0.7
190.02730	14.4
205.05077	51.6
207.02982	2.5
208.03728	0.6
222.05341	2.3
223.06139	8.9
255.99811	0.4
298.07526	0.4
454.14774	0.5
463.16083	7.6
469.17218	100.0
538.64648	0.4
709.27423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61380	0.3
65.61741	0.3
71.01379	6.2
73.02949	0.3
83.01387	0.5
83.32512	0.3
85.02926	0.7
89.02441	8.7
101.02435	5.8
113.02442	4.2
115.89367	0.3
119.03505	3.1
134.03732	0.5
135.04521	1.8
149.02411	1.3
152.01143	0.3
153.01920	0.6
155.08556	0.4
163.04005	5.4
164.04764	3.3
165.05501	0.5
166.02684	2.8
177.01921	0.7
177.05563	0.7
178.06340	1.7
181.05042	0.4
183.06601	1.8
190.02682	3.2
191.03444	0.4
205.05074	15.7
207.02991	7.3
208.03860	0.4
222.05330	2.4
223.06088	4.3
230.09464	1.2
231.83238	0.3
245.11853	0.7
274.08478	3.1
289.10828	7.4
293.10333	1.8
321.09781	2.2
439.12613	0.7
454.14658	2.4
469.17181	100.0
709.27301	4.0
790.31262	0.4
867.33533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.331
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.5
85.02954	9.8
88.98811	1.5
89.02425	10.1
92.36858	1.3
96.95983	1.2
101.02454	11.8
113.02465	5.3
119.03490	2.3
148.21700	1.2
149.02431	1.6
151.04030	1.6
163.92535	1.3
164.04797	22.2
166.02727	2.2
177.05554	2.5
179.05699	2.6
179.07140	21.9
180.04253	3.0
190.02661	12.8
190.06326	2.6
192.04337	5.1
195.06609	5.7
203.07140	1.4
205.05069	78.6
205.08693	5.7
207.03058	2.5
207.06552	1.9
208.03781	6.4
218.09514	2.5
222.05267	4.6
223.06128	38.6
234.03493	1.1
234.05411	15.0
237.07756	2.9
247.06122	5.3
249.07716	23.9
261.07642	7.7
262.08441	18.2
276.10089	2.7
277.10822	21.2
315.08737	1.4
321.09900	2.4
437.07861	1.3
469.17169	66.2
561.19830	100.0
567.20923	37.4
697.36670	1.3
716.07153	1.3
757.49438	1.7
769.94543	1.6
807.41644	2.8
867.34711	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70406	0.9
71.01373	5.6
73.87247	0.9
85.02937	10.4
89.02437	6.2
101.02425	5.3
103.00390	1.2
113.02450	4.4
119.03496	2.1
124.30376	0.9
126.74702	1.0
149.02454	1.6
161.04529	1.5
164.04781	14.1
177.05623	1.9
179.07135	20.1
180.04256	1.4
181.05115	1.1
190.02728	11.6
190.06401	1.5
191.05508	1.1
195.06677	4.5
203.07152	1.4
205.05067	79.3
205.08762	5.8
207.03027	1.3
207.06606	4.0
208.03735	7.6
217.08594	1.4
218.09456	2.2
219.02956	1.6
222.05365	5.4
223.06122	38.5
234.05318	22.1
237.07692	5.5
247.06172	1.7
249.07680	38.7
261.07690	7.7
262.08438	21.5
275.09152	1.3
276.10056	2.2
277.10880	26.9
278.49469	1.0
315.08701	10.5
330.11044	4.8
361.12939	6.3
469.17197	68.0
561.19849	100.0
567.20929	46.0
656.19220	1.2
789.08795	1.0
807.30804	5.9
867.35223	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85913	0.5
71.01376	12.8
73.02940	2.3
85.02959	3.6
87.00864	0.8
89.02434	13.8
94.90557	0.6
95.01362	0.7
99.00884	0.9
99.08154	27.7
101.02445	12.8
113.02445	9.6
119.03506	6.3
119.04256	0.6
127.07670	0.8
131.03497	0.8
143.03447	1.0
145.08704	100.0
161.04561	3.2
166.82158	0.6
260.19794	0.6
261.09836	2.3
263.11371	51.1
279.10849	6.5
359.13428	6.4
377.14417	4.4
606.55988	0.6
621.20099	0.7
623.25623	20.7
704.93896	0.6
759.76178	0.7
807.40588	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
77.95358	0.2
78.95903	19.3
84.88053	0.2
96.96957	2.9
107.52280	0.2
145.20090	0.2
150.98030	0.8
152.99591	100.0
171.00665	3.9
279.23270	1.4
433.23660	51.3
513.20276	0.9
682.53906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36327	0.4
62.10750	0.4
62.78872	0.4
72.22552	0.4
73.62249	0.4
78.95906	32.3
96.96989	3.3
150.97997	0.7
152.99588	100.0
171.00624	3.0
212.40541	0.5
235.66762	0.4
264.11743	0.4
273.43826	0.5
279.23334	2.9
289.41718	0.6
386.82370	0.5
433.23660	57.7
556.28595	0.5
682.87207	0.6
703.97839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48481	0.2
78.30891	0.2
78.95898	26.0
84.01388	0.2
85.43720	0.2
96.96960	3.0
150.98027	0.9
152.99585	100.0
171.00665	3.5
210.37199	0.2
279.23340	2.4
433.23648	55.9
437.45831	0.2
513.20337	0.4
525.78308	0.2
867.47186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	4.8
73.02916	0.9
74.09972	0.9
75.95021	0.7
80.96524	3.9
85.02943	1.6
87.00848	1.0
87.98294	0.8
89.02435	7.0
92.22553	1.3
94.98103	1.0
95.32152	0.7
100.32886	0.8
100.84920	0.8
101.02447	7.3
107.25182	0.9
113.02416	3.2
119.03470	1.6
125.02504	1.1
148.53061	0.8
169.12340	15.4
171.10278	23.9
213.11156	1.2
225.00775	1.9
231.12256	1.3
255.23334	34.6
353.24768	1.1
458.95349	1.0
573.38940	1.1
867.49799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.516
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06229	0.6
71.01385	3.5
78.98598	2.9
79.95728	3.5
80.82437	0.5
80.96515	24.1
85.02929	1.0
87.00887	0.9
94.98080	8.7
97.02949	0.7
97.25547	0.6
101.02435	3.8
106.98105	1.1
113.02431	1.0
122.97569	1.3
125.02437	3.6
134.97574	3.2
136.99098	0.9
148.99133	4.0
152.98642	6.5
164.98615	12.6
165.04488	0.6
169.12346	3.5
178.23373	0.6
206.99683	3.6
213.84801	0.6
225.00758	33.2
231.12286	1.1
255.23347	2.9
304.82538	0.6
329.23563	0.7
403.04898	0.7
495.37531	0.6
537.27301	4.5
611.27753	2.5
668.45068	0.7
763.49445	0.7
867.51379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48955	0.3
70.14574	0.3
90.03546	0.3
92.22509	0.5
99.84778	0.3
128.16177	0.3
131.70198	0.3
152.94553	0.3
162.10556	0.5
172.77077	0.3
213.14955	0.3
217.15912	1.3
219.82071	0.3
245.19167	2.1
263.16397	0.4
279.23340	7.9
289.25430	3.9
315.23270	1.5
333.24405	100.0
351.25464	59.5
460.60236	0.3
515.32233	0.6
586.97394	0.3
613.36017	0.4
841.27222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52407	0.5
67.01890	1.3
71.01373	1.3
75.46242	0.5
86.02525	0.5
87.00867	5.6
92.23132	0.6
93.03446	23.3
111.04502	5.5
117.03488	0.9
122.69122	0.6
127.04031	0.8
129.01961	0.9
134.03732	27.3
137.02475	2.2
139.16129	0.8
149.06018	6.9
155.03513	3.4
173.04539	53.8
191.05620	100.0
193.05060	64.8
194.66083	0.5
211.63576	0.6
308.05679	6.0
323.07983	9.7
338.10391	16.0
347.75143	0.6
367.10361	93.1
500.15765	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
85.00352	0.2
85.02956	0.9
96.93630	0.2
111.04482	0.2
119.26614	0.2
133.02908	0.3
135.04512	4.4
137.02428	0.3
157.08546	0.2
161.02438	4.3
169.04971	0.2
173.04510	1.9
179.03497	16.5
191.05623	100.0
233.06686	1.6
291.86496	0.2
307.08304	0.4
335.07825	0.3
351.82565	0.2
353.08820	10.0
395.09872	14.4
397.32144	0.2
407.10022	0.5
425.10944	6.8
455.12003	18.7
479.12839	0.3
515.14105	18.8
589.03326	0.2
713.41400	0.3
734.24951	0.3
869.23273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.7
82.41487	1.1
86.56638	0.8
89.02444	0.9
101.02442	1.0
117.03395	1.0
119.05007	1.3
120.62956	1.1
121.02930	1.0
132.02133	1.2
133.03011	1.0
134.03743	18.5
135.04517	1.0
149.06064	7.1
160.01666	44.4
160.56253	1.0
161.02477	1.5
165.05678	2.0
175.04008	100.0
185.57727	1.0
193.05051	15.2
207.06686	1.6
219.06819	1.1
339.08542	1.1
551.33960	1.1
721.25677	6.4
781.27368	8.7
869.28784	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10791	0.5
63.98127	0.5
71.01361	2.8
73.02943	0.8
89.02430	0.7
101.02412	0.8
113.02399	1.1
119.05003	0.7
121.35435	0.6
132.02161	3.2
133.02925	2.4
134.03741	16.8
135.04536	1.0
137.02437	0.9
149.06102	4.2
160.01666	49.6
175.04008	100.0
179.03481	2.7
180.87271	0.7
193.05061	13.2
207.06699	4.3
235.06084	1.0
242.15265	0.6
339.08914	0.8
470.17609	0.7
660.72076	0.8
668.81671	0.7
721.25104	13.0
781.27258	59.6
869.28760	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35039	1.1
63.49959	1.3
68.99797	6.3
72.59798	1.4
104.28378	1.4
115.06834	1.1
123.42268	1.4
138.03194	6.3
139.04018	2.9
140.88725	1.2
147.72150	1.4
153.01926	6.0
153.05568	17.7
163.87791	1.4
164.04813	1.7
165.01920	9.8
165.05557	1.4
168.04324	1.7
176.01172	12.5
177.05609	2.1
178.02661	3.3
179.03485	6.0
180.04308	18.8
190.06438	1.4
191.03459	15.9
192.04303	10.3
193.01369	9.0
193.03166	1.4
193.04985	9.7
194.05736	3.0
194.93318	1.5
195.06635	13.7
201.17072	1.4
207.06674	41.2
208.03789	23.5
210.05249	2.4
222.08974	1.7
223.06120	29.7
224.06619	1.5
225.07462	1.6
402.99515	1.6
519.37396	1.5
586.89587	1.6
642.22809	5.8
667.51923	1.6
839.30048	2.2
851.31189	2.8
864.53345	1.7
869.32275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77256	1.6
65.84171	1.7
66.70829	1.8
94.94538	2.4
103.37732	1.9
129.32091	2.5
141.28659	2.2
148.45479	2.1
152.56540	1.9
161.02478	3.5
165.01917	63.3
169.89975	2.2
176.04787	3.1
179.03528	26.6
180.04286	86.9
181.05125	7.7
191.05661	2.6
191.07227	3.0
194.05855	22.4
195.03012	3.6
195.04832	3.0
195.06636	89.0
207.06726	5.0
209.08211	16.9
210.05347	24.7
222.10481	2.3
225.07768	27.0
236.87405	2.1
300.06403	4.6
300.09906	3.4
301.07217	4.5
315.08792	73.3
316.09503	7.8
330.11172	32.0
331.11862	3.6
361.12943	55.2
403.55280	2.8
428.25452	2.3
494.15607	3.0
617.42365	3.0
659.23651	4.4
680.29425	2.3
706.43512	2.6
786.02905	2.8
821.30450	42.8
869.32434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64894	1.0
72.40350	1.2
74.03530	1.2
88.31718	1.2
92.23109	1.6
105.01943	1.6
106.92171	1.2
112.15192	1.2
125.96285	1.4
137.02397	2.7
154.59927	1.2
165.01913	44.7
166.02725	15.7
179.03488	12.1
180.04289	76.6
181.05077	35.8
193.05087	1.5
194.05867	7.1
195.02928	2.5
195.06641	100.0
205.05096	2.5
210.05363	22.3
214.15128	1.5
225.05600	2.7
225.07686	48.4
371.11160	1.6
387.10898	10.2
402.13046	2.0
403.14038	5.2
417.15604	18.2
451.16162	14.0
565.17670	1.6
595.22192	8.5
615.17365	1.7
639.31793	1.3
643.24042	19.7
760.75586	1.6
821.30786	9.0
833.51208	1.6
869.32281	26.1
869.46729	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71187	1.6
62.34208	1.3
65.88385	1.5
68.48844	1.3
69.79331	1.3
70.46293	1.3
71.01378	2.2
71.02377	1.3
73.60868	1.4
81.27280	1.5
82.28341	1.4
88.50158	1.4
101.02454	1.6
101.37266	1.6
125.04711	1.7
136.45078	1.7
137.02464	6.5
151.04002	2.2
165.01933	65.9
166.02689	18.9
179.03487	17.5
179.07034	2.8
180.04298	94.0
181.05060	47.9
194.05807	10.8
195.06641	100.0
205.05106	3.2
209.08215	6.6
210.05371	21.6
220.07399	2.4
223.06081	1.8
225.07698	32.0
245.26257	1.9
283.06247	2.1
387.10739	2.2
416.74893	1.7
417.15646	11.9
451.16025	3.3
548.21222	1.5
565.17157	3.5
594.21045	3.1
595.22089	11.6
642.22723	1.8
643.24365	16.7
773.28101	2.6
821.30304	12.5
851.30292	2.4
869.31714	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00813	1.6
76.82878	1.8
137.02466	2.8
143.69920	1.5
152.04768	6.5
165.01929	43.1
165.05566	1.7
166.02718	40.4
177.05530	2.0
179.03496	13.3
179.07156	1.7
180.04274	73.9
181.05072	91.0
183.69638	1.6
194.05861	9.2
195.06638	100.0
205.05135	3.4
210.05356	22.0
218.96425	1.6
225.07695	41.3
266.93973	1.6
315.08417	1.9
335.52634	1.9
364.92725	2.1
373.13025	3.5
387.10706	22.3
402.13141	10.7
403.14035	31.9
417.15689	44.7
433.14813	3.7
451.16214	60.1
595.21808	9.3
643.24072	20.6
817.76599	2.1
821.30457	9.3
869.31183	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94192	0.5
71.01373	0.7
73.02928	0.5
85.02940	0.9
89.02423	0.9
93.60500	0.5
101.02425	1.2
102.33282	0.5
107.17810	0.5
113.02470	0.8
119.05014	42.7
145.02946	13.9
161.02525	0.5
163.04012	100.0
179.00508	0.5
189.05620	4.7
191.05655	6.2
191.07240	0.7
195.11485	0.5
205.05042	0.7
261.07755	0.9
303.08850	0.7
306.48029	0.6
343.21295	0.7
507.18762	71.3
605.22388	12.8
869.34479	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.6
71.01379	2.5
78.98579	2.7
79.95733	15.1
80.96510	27.1
80.96987	0.9
85.02938	0.6
87.00863	2.3
90.29364	0.5
91.81197	0.5
94.98063	6.7
97.02893	0.9
99.00881	0.6
101.02451	0.8
106.98123	0.8
120.03448	0.5
122.97599	1.4
125.02415	3.9
134.97565	2.3
136.99121	0.7
148.99168	4.9
152.98601	5.9
164.98616	8.6
206.99741	5.3
225.00761	27.6
241.00452	0.8
283.04898	3.9
341.05475	2.7
355.07040	2.6
411.13297	3.2
575.25592	5.9
576.62091	0.7
639.11761	0.6
647.27637	3.1
661.29437	3.0
689.32611	1.3
703.34436	0.7
869.47278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.1
87.00883	3.2
99.00865	3.5
101.02441	2.3
111.00893	1.9
113.02419	2.0
121.02966	7.7
133.02921	1.8
134.02815	2.5
134.03735	25.4
136.01688	2.1
147.04523	7.5
148.05295	3.3
149.02409	29.8
149.06056	19.0
150.03210	25.7
151.03996	6.7
160.01590	6.5
162.03183	2.1
163.03972	1.8
164.04800	21.5
165.05557	100.0
175.04031	25.7
176.04793	46.7
177.01869	1.7
177.05548	2.6
178.02750	14.7
180.04265	9.3
189.05646	1.8
191.07126	58.0
192.04251	2.8
193.05061	81.3
193.06808	3.0
195.06641	39.8
205.06638	1.9
220.03792	11.3
234.07004	2.5
235.06107	95.1
250.06340	9.8
253.08746	2.6
265.07245	10.4
267.06635	2.4
282.08994	27.6
293.07822	1.9
295.08231	11.4
297.07733	2.0
297.11194	2.5
306.07672	2.2
311.09137	1.9
315.00525	1.7
318.07712	1.7
325.07251	2.5
339.12314	2.4
340.09521	3.5
341.10306	51.1
355.11810	9.8
368.08813	2.7
371.11243	28.7
383.11441	40.6
389.12439	77.5
413.12457	29.9
431.13498	16.6
443.13297	19.3
461.14648	10.3
473.14404	8.5
473.80191	1.9
488.59561	1.8
491.15659	25.6
514.15076	15.1
549.16382	2.5
550.17090	6.6
551.17645	14.7
635.90918	2.1
708.21136	11.8
750.22150	36.3
780.23541	2.2
810.24048	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82638	2.2
84.56362	2.4
93.55566	2.1
98.01252	2.3
99.00894	2.4
110.76375	2.5
111.00852	2.3
121.02895	5.0
134.03743	20.1
147.04480	2.3
148.05276	5.0
149.02420	21.2
149.06108	18.3
150.03217	26.6
151.04057	2.6
160.01620	2.7
163.04008	2.4
164.04790	21.5
164.73430	2.8
165.05559	100.0
165.21156	2.6
175.03987	22.4
176.04776	42.5
177.01849	2.2
178.02696	20.4
180.04253	11.6
191.07152	55.2
193.05075	72.5
195.06689	38.6
207.06673	2.9
220.03749	13.6
235.06099	72.0
250.06296	4.6
265.07062	4.4
282.09012	20.2
295.08212	4.3
306.07779	3.3
341.10266	41.8
355.11905	5.6
368.09140	3.1
371.11523	19.7
373.69751	2.5
383.11639	23.1
389.12479	59.9
413.12305	20.8
431.13248	19.7
443.13504	10.6
461.14725	4.9
473.14542	5.8
490.15311	4.5
491.15698	25.9
514.14948	14.3
550.17169	3.0
551.17700	9.9
708.21106	9.0
750.21960	29.7
794.85059	3.1
796.91980	3.0
810.24231	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.1
71.01377	17.0
79.89370	2.0
81.95823	2.1
85.02940	4.1
95.26850	2.1
114.75708	2.4
160.01665	2.5
163.03864	2.8
164.04852	3.5
165.45045	2.4
166.05109	5.3
175.04021	5.6
185.52263	2.2
190.02664	4.7
205.05070	28.9
223.05983	2.9
292.20624	2.2
329.46115	3.1
338.79236	2.7
451.16202	3.4
469.17123	3.6
523.10962	4.7
523.18262	100.0
525.74042	2.4
545.60406	2.4
763.27881	19.0
805.76843	2.8
810.28741	4.3
870.28717	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01838	0.2
61.98833	100.0
81.20355	0.2
82.52180	0.2
100.25295	0.2
151.55231	0.2
164.04764	0.3
165.05205	0.2
185.19928	0.2
190.02797	0.8
205.05048	2.8
206.05460	1.5
207.05690	0.8
226.80736	0.2
416.80865	0.2
465.17169	0.3
469.17313	1.7
470.17624	3.2
471.17648	3.2
472.17896	2.1
764.47565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
66.18909	0.5
70.78653	0.5
81.96288	0.6
98.49347	0.5
111.70749	0.6
134.16808	0.6
161.12233	0.6
164.04817	0.7
328.50381	0.6
411.72855	0.6
440.16837	0.7
440.99570	0.7
502.32974	0.6
504.95221	0.6
513.89154	0.9
570.21594	1.1
810.44507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.05853	0.2
71.01385	0.5
83.96265	0.3
88.79527	0.3
89.02430	0.4
92.23122	0.7
101.02441	0.4
116.91055	0.3
217.09567	0.3
261.54623	0.3
328.06366	0.3
469.17322	0.5
470.17249	2.6
471.17889	2.8
472.18176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01390	0.3
74.11702	0.3
79.85950	0.3
95.30988	0.4
97.91290	0.3
101.02455	0.5
147.31033	0.3
163.61835	0.3
167.45653	0.3
181.08005	0.3
188.13115	0.3
196.88660	0.3
205.05067	1.7
206.05437	0.6
223.06487	0.3
234.05289	0.5
246.81752	0.3
249.07832	0.4
250.07991	0.4
364.63660	0.3
465.70303	0.3
468.55951	0.4
471.18161	0.4
560.03546	0.3
562.20648	0.5
564.20685	0.6
870.29028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00498	0.3
67.01882	0.3
70.11952	0.3
71.01375	0.3
71.75521	0.3
77.69644	0.3
87.00880	0.5
93.03453	5.5
111.04525	3.2
117.96574	0.4
129.01912	0.6
133.69058	0.3
134.03732	12.8
137.02428	0.5
149.06075	19.5
155.03485	3.3
166.46062	0.3
173.04535	6.9
178.02718	9.3
191.05649	0.5
193.05064	100.0
240.17429	0.3
310.10745	3.4
325.13239	14.1
340.15576	8.9
355.10220	4.2
525.71106	0.4
529.15662	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	1.6
67.01888	5.2
69.03458	1.6
69.83237	0.7
71.01369	3.0
73.87177	0.6
77.57838	0.6
87.00861	9.4
87.65711	0.6
93.03450	50.9
99.00860	0.8
99.04504	0.7
111.04517	12.1
113.02405	0.8
129.01889	0.8
134.03725	3.7
135.45366	0.7
142.62677	0.7
143.03526	1.0
149.06120	5.3
155.03488	1.3
168.48709	0.7
173.04559	26.7
178.02750	3.3
191.05608	9.2
193.05086	29.6
193.06822	1.5
267.06604	3.8
310.07611	1.2
310.10880	19.9
325.13229	61.1
340.15564	53.0
439.58963	0.9
513.20911	0.7
529.15692	100.0
592.25714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76958	0.7
71.01379	5.1
72.98894	0.9
72.99305	28.7
75.00869	4.4
85.02941	6.6
87.00873	1.5
89.02443	1.7
95.01390	2.9
99.00881	3.8
103.00339	0.8
111.04505	1.1
113.02439	21.0
118.45370	0.8
119.05010	11.2
123.04498	6.0
127.04024	1.5
129.01921	1.1
135.04524	10.7
145.02939	9.5
149.04527	0.9
163.04005	30.6
173.04555	3.0
174.92294	0.9
179.03499	35.5
191.05589	5.6
191.94933	0.7
197.04567	76.2
199.02397	1.0
213.71175	0.8
216.03059	0.8
217.03514	0.8
219.39738	0.9
231.05144	1.4
237.07704	3.7
238.67749	0.8
249.06168	20.4
249.31245	0.7
253.10690	0.9
267.07233	59.0
339.08798	1.7
341.08951	0.8
359.09964	12.1
371.21988	0.9
395.58899	0.8
413.10919	100.0
457.13605	80.0
476.90039	0.9
679.19434	1.1
871.24579	6.2
899.94147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.5
67.01889	1.6
69.03449	0.5
71.01379	0.9
83.04999	0.5
87.00867	4.8
93.03451	15.0
101.02457	0.4
111.04526	4.8
113.02420	0.6
117.03458	3.1
127.03958	0.6
129.01950	0.5
134.03740	32.9
143.03441	0.5
149.06078	8.5
155.03503	3.9
163.03987	1.6
173.04558	11.9
175.03993	0.4
187.16328	0.4
191.05627	79.3
193.05066	100.0
201.42560	0.4
337.09143	0.5
340.14893	0.4
367.10373	91.6
391.19849	2.0
491.92480	0.5
574.83887	0.4
580.14014	0.4
670.09033	0.5
871.27155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	1.2
68.99796	7.4
71.01373	11.1
71.20154	1.0
72.99273	1.1
73.02915	1.1
83.01337	1.3
85.02930	1.6
87.00839	1.9
89.02425	14.2
96.95968	1.5
97.02936	1.1
101.02434	12.9
113.02401	5.7
115.03967	9.1
119.03438	2.7
123.00844	1.9
123.04502	1.5
133.01385	1.8
138.03214	12.5
139.03987	2.3
149.02330	1.4
153.01898	6.1
153.05560	29.5
161.04489	1.8
163.03951	2.0
164.04741	1.8
165.01929	8.1
168.04216	1.8
175.00235	1.8
176.01138	12.3
177.01868	2.4
177.05574	2.4
178.02696	2.5
179.03484	1.9
179.07140	2.3
180.04221	8.4
190.02739	5.0
191.03508	23.6
192.04285	10.2
193.01393	14.2
193.05034	12.3
195.06624	7.4
205.05081	10.2
207.06625	43.4
208.03767	45.1
209.04440	1.5
223.06105	55.9
225.07683	1.8
238.09253	1.2
315.08600	3.7
321.88766	1.2
324.09930	2.0
330.11145	1.9
339.12323	4.5
361.12704	2.4
469.17261	1.7
631.22540	26.1
709.30652	1.6
743.24316	1.4
773.26563	77.4
871.30432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
88.27285	1.1
103.62507	1.1
114.77174	1.2
116.29774	1.0
137.02432	2.1
161.02391	1.3
165.01926	55.3
166.02815	1.9
179.03502	21.2
179.07114	1.3
180.04285	80.8
181.05058	13.1
192.04277	2.0
194.05925	9.5
195.06638	84.7
196.07458	9.4
197.08168	1.9
200.20107	1.3
207.06647	1.9
208.03796	1.6
210.05354	22.6
211.09755	2.9
223.68321	1.3
225.07692	27.5
251.09242	1.9
285.07608	4.9
299.09164	1.6
300.06583	2.1
300.10107	6.0
301.07150	4.9
315.08789	53.1
316.09473	2.6
330.11108	33.8
331.11902	1.9
355.08142	6.8
361.12930	30.3
389.16217	2.0
403.13885	2.2
451.16339	1.4
656.86060	1.2
823.31860	33.3
871.33911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59258	2.1
78.98451	2.0
92.23066	2.9
109.37019	2.2
137.02402	2.7
146.20593	2.0
150.31224	2.2
153.05467	2.5
164.04773	3.4
165.01927	56.1
166.02690	10.1
179.03490	18.2
179.07196	3.8
180.04285	86.4
181.05061	26.8
193.04947	2.8
194.05861	14.6
195.03041	3.2
195.04823	3.8
195.06638	100.0
205.08707	9.3
207.06644	4.9
208.07387	5.9
210.05396	22.2
222.09006	3.7
223.06165	4.1
225.07680	16.0
389.16367	10.1
597.23077	5.4
615.24817	3.5
642.76630	2.5
644.25092	2.8
645.25555	12.9
658.95477	3.1
775.29645	3.3
823.31403	12.2
841.32410	2.9
853.32867	3.6
871.33801	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63554	1.0
66.76662	0.9
68.47813	1.0
94.68499	1.1
101.97958	1.1
105.82011	1.0
134.03706	1.9
137.02492	2.3
138.03207	1.9
139.03975	1.7
149.02574	1.2
153.01920	4.8
153.05588	13.4
165.01939	27.9
165.05568	1.3
166.02780	1.9
175.03947	2.0
176.01151	7.7
177.05647	1.1
178.01222	1.2
178.02710	2.3
179.03499	8.7
179.07123	1.9
180.04289	43.1
181.05098	6.8
191.03525	15.7
191.05292	1.5
192.04295	8.5
193.01445	5.6
193.05133	9.6
193.27589	1.3
194.05820	6.1
195.06642	54.7
203.08093	1.1
207.06654	27.1
208.03815	16.0
208.07515	1.4
209.04475	1.4
209.08200	2.6
210.05356	10.0
222.08806	1.4
223.06120	22.3
225.07684	14.0
241.58527	1.4
375.14493	1.6
389.16245	1.9
530.88409	1.2
597.24078	2.1
615.24786	2.0
644.24689	2.3
645.25677	7.0
823.32007	6.6
841.32697	1.7
853.32904	2.2
871.34015	100.0
903.12732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.3
62.13529	0.7
71.01374	3.7
72.14748	0.8
73.02887	0.8
73.70979	0.9
78.98592	1.9
79.93357	0.9
79.95702	8.2
80.96511	29.6
80.96986	1.0
84.66907	0.7
94.98086	9.7
95.30041	0.8
101.02393	1.3
122.97518	1.6
125.02459	3.3
134.97591	4.4
148.99129	4.7
152.98563	6.4
152.99672	2.0
164.98634	12.4
165.04861	1.1
191.05635	15.0
194.27727	0.8
206.99638	4.8
225.00755	32.6
261.99811	0.8
283.05106	1.9
341.05725	1.1
355.07138	0.9
455.02612	1.0
575.25055	1.3
577.26740	4.7
649.29578	1.7
871.48779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.87230	0.8
85.02937	7.5
89.02467	1.0
97.02934	0.9
97.06581	1.3
121.06576	2.1
137.09737	4.4
161.42146	0.9
171.10272	30.8
171.11734	1.1
183.13982	1.3
193.12451	0.9
197.11749	1.0
201.11331	1.5
205.77153	0.8
209.11903	1.0
211.13441	13.6
221.11742	1.2
229.14450	11.3
291.19653	2.1
307.19156	1.2
325.20215	1.9
327.21793	100.0
351.20554	1.0
471.22186	1.1
543.28033	1.1
574.78644	0.9
577.21301	0.9
809.40662	1.2
871.40112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	33.5
80.01553	0.3
80.04454	0.4
91.80704	0.3
96.96952	2.3
104.66826	0.3
112.40568	0.4
150.98093	0.6
152.99591	100.0
160.00842	0.4
164.90930	0.4
171.00623	3.1
209.71654	0.4
266.18451	0.4
269.93082	0.4
280.76981	0.4
281.24939	3.2
305.67548	0.4
435.25223	63.5
454.35452	0.4
515.21570	0.8
871.49249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
78.49223	0.5
78.95904	31.1
78.96367	1.2
96.96976	2.5
146.33928	0.6
150.98048	0.9
152.99588	100.0
171.00630	2.9
179.83720	0.6
181.02740	1.3
199.03786	0.5
217.41481	0.6
232.08170	0.7
255.23323	2.4
257.48056	0.5
279.23315	21.3
409.23669	64.1
461.26907	13.1
591.98029	0.7
765.61804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.511
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84435	0.5
75.65487	0.4
77.80450	0.5
78.95904	29.7
88.14725	0.4
96.42974	0.4
96.96944	2.8
123.86582	0.5
150.98016	0.6
152.99586	100.0
171.00647	2.5
212.78731	0.4
281.24878	2.2
435.25223	60.2
484.65976	0.5
705.21448	0.6
762.02020	0.6
813.42981	0.5
871.50903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.6525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71226	1.0
72.99303	23.5
75.00864	23.1
75.01247	1.7
86.22523	1.3
97.83087	1.2
100.01031	1.1
178.48874	1.1
203.81053	1.2
343.28574	100.0
424.59222	1.5
763.45667	1.3
871.49573	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79548	0.7
63.96293	0.7
64.54493	0.6
65.36609	0.6
74.98477	0.7
85.02956	1.0
85.71903	0.8
93.03452	0.8
134.03468	0.8
160.04034	67.2
161.02409	1.2
168.53917	0.8
173.04449	0.9
186.65665	0.7
188.55229	0.7
191.05623	100.0
192.06010	6.1
247.10870	0.7
322.07001	1.3
345.31265	0.9
353.08801	23.3
354.09244	3.2
356.11398	63.0
383.08035	1.2
422.51251	0.8
518.16772	67.0
826.16180	0.9
872.25684	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
77.39328	0.7
170.45166	0.8
180.04193	0.8
195.06606	1.2
420.97653	0.7
809.30505	1.0
872.31512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01621	0.3
74.90804	0.4
87.79675	0.4
93.03427	0.6
97.91769	0.4
111.00857	0.8
111.04511	1.4
117.03457	2.7
134.03737	34.1
136.11243	0.5
149.06067	8.8
155.03496	2.8
172.82153	0.4
173.04523	3.6
174.79640	0.5
191.05582	3.4
193.05063	100.0
274.98883	0.5
283.95798	0.5
306.28998	0.4
367.10367	57.3
476.13916	0.5
592.06897	0.6
783.38788	0.6
791.62177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28403	0.5
67.67194	0.4
69.48938	0.5
71.01376	0.9
75.06302	0.4
79.69629	0.4
93.03452	8.1
100.85876	0.4
111.00850	0.6
111.04543	3.8
129.74503	0.5
135.04523	33.7
137.02470	5.1
137.03458	0.6
138.21243	0.4
138.68800	0.5
145.03011	0.6
155.03505	6.2
161.02464	2.3
173.04552	93.2
179.03506	67.4
191.05624	42.5
278.97473	0.5
341.41156	0.5
353.08829	100.0
440.05585	0.5
634.70276	0.5
903.44989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40240	3.3
66.28146	3.2
71.40640	3.7
73.82085	3.5
80.20670	3.3
88.02447	3.6
103.85245	3.7
105.21471	3.5
137.02463	6.6
151.03882	3.9
164.04762	4.5
165.01927	51.9
165.05511	6.8
174.14143	4.0
179.03467	9.3
179.07167	14.7
180.04300	84.4
181.05058	27.6
181.06439	3.6
193.04980	5.4
194.05890	5.0
195.06638	100.0
210.05370	21.7
225.07703	19.8
329.14047	15.4
406.16241	5.1
421.18311	12.4
437.92523	4.5
599.25110	6.6
647.27460	17.4
825.33173	14.7
833.03430	4.5
873.35480	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87757	0.7
71.01365	1.2
71.74521	0.7
71.75392	0.8
96.95366	1.5
96.96002	47.3
101.02440	0.9
113.99391	0.8
116.69688	0.8
116.92844	1.3
125.65906	0.9
179.03522	3.7
180.04230	1.7
181.05020	0.9
181.48186	0.9
192.44618	0.9
195.06595	1.0
344.11990	0.8
367.10730	1.0
458.41702	0.9
520.96790	1.0
549.25378	100.0
873.35895	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.39
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08553	1.0
65.59527	1.3
68.25357	1.0
71.01375	8.8
78.77988	1.0
85.02955	1.4
87.00864	2.3
89.02439	10.6
96.95152	1.0
101.02455	10.3
112.91853	1.1
113.02425	4.8
119.03503	1.7
125.02425	1.9
131.03433	1.8
161.04520	1.3
172.10504	1.1
202.00900	1.1
221.06680	2.0
272.88058	1.1
277.21863	7.8
326.66516	1.2
403.45703	1.3
559.18842	18.2
577.19977	2.1
729.72650	1.4
837.41351	20.8
873.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	7.1
80.96516	2.5
83.01376	1.1
85.57750	1.1
87.00867	1.9
89.02429	8.6
94.08408	0.9
101.02415	5.2
113.02447	4.6
119.03499	1.4
125.02428	1.6
153.12849	19.4
164.98674	1.3
197.11829	23.6
215.12889	65.9
221.06639	2.1
225.00826	1.9
233.05164	1.0
255.23373	7.1
269.24826	2.4
277.21677	11.5
341.10757	1.8
357.62210	1.0
520.24957	1.1
579.33832	7.6
873.48669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	2.6
79.95712	1.5
80.96504	3.0
84.23331	1.8
86.06612	1.8
86.27569	2.2
89.02480	6.3
101.02436	3.2
103.91914	2.3
113.02437	1.8
125.02477	1.9
152.99644	2.7
153.12830	12.0
154.68672	1.7
194.00897	1.8
197.11853	15.0
214.80638	1.8
215.12866	23.5
225.00638	3.2
242.88605	2.1
277.21790	19.3
297.24521	2.8
394.94754	2.0
873.48730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95910	1.7
62.31787	1.7
68.19364	1.8
71.01378	27.1
73.02936	32.7
73.91087	1.9
83.01396	3.4
85.02941	3.3
89.02450	26.6
92.22530	2.1
95.99770	2.1
101.02440	38.0
113.02445	19.7
119.03526	7.6
125.02467	2.0
125.09756	4.1
131.03513	3.3
140.03967	1.9
149.04549	4.8
161.04584	14.5
187.09770	2.7
194.62445	2.1
216.60869	2.0
221.06636	9.2
244.26476	2.1
384.45203	2.1
386.64389	2.2
477.28708	11.4
519.29657	100.0
563.28894	3.9
790.41168	2.4
859.61835	2.2
873.41675	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32404	0.2
69.03495	0.2
71.01383	1.1
71.99968	0.2
72.99354	0.2
86.99105	0.2
89.02431	1.3
98.58312	0.2
101.02389	0.3
109.06593	0.2
111.20958	0.2
113.02412	0.4
113.09750	0.3
119.03449	0.3
125.09670	0.4
127.11384	0.3
139.11285	4.2
153.12883	1.5
179.05659	0.3
191.18080	4.9
224.14177	0.5
229.19748	0.5
245.19069	0.4
247.20689	3.0
255.23318	3.3
269.24936	0.3
275.20096	0.3
277.21774	0.4
291.19684	0.4
293.21265	100.0
341.10825	0.4
512.10681	0.3
579.33820	4.4
600.90540	0.2
662.22339	0.3
873.50525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25739	0.2
63.53134	0.2
73.17060	0.2
81.11469	0.2
83.05003	0.4
83.70070	0.2
97.02890	0.3
100.53137	0.2
205.19691	1.0
231.17589	1.0
247.17062	0.4
249.18613	100.0
347.22287	1.8
873.50104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	20.0
71.61405	1.2
73.02948	9.2
83.01381	3.2
85.02924	13.3
89.02442	10.1
95.01356	1.6
99.00905	2.3
101.02444	24.1
104.55861	1.4
111.00887	1.4
113.02434	12.7
119.03461	1.8
133.02966	8.1
134.03708	1.5
145.02948	2.0
146.03717	2.5
147.04518	1.7
149.02426	21.9
149.05965	1.8
150.03221	41.6
161.06064	5.9
162.03229	5.0
164.04805	18.0
165.05568	89.2
166.06302	2.3
178.06387	2.3
179.05556	1.7
180.04308	10.1
181.08737	19.0
195.06628	24.7
269.35968	1.3
305.07123	2.1
314.11560	6.3
315.12549	1.7
320.09296	1.6
328.13272	1.8
329.13983	22.1
343.14423	13.5
491.19269	95.4
503.19766	8.9
503.25830	1.3
521.20435	5.9
530.18671	1.8
539.21399	100.0
555.63293	1.5
874.32910	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
118.26190	2.5
122.03743	9.1
125.26910	2.5
146.03711	9.5
151.04013	3.6
161.06113	11.6
164.04788	13.7
176.04837	12.2
179.07132	68.1
180.04303	10.0
190.06416	5.4
191.05524	5.1
191.07149	100.0
195.06644	39.1
209.08163	3.5
291.05417	4.7
305.07132	5.1
306.07724	58.2
320.09311	27.3
321.09854	20.6
322.10788	4.1
327.12463	13.7
336.08902	4.2
336.12421	30.3
337.92139	3.0
345.13519	18.6
375.09967	4.5
375.14517	84.2
395.89221	3.0
537.19855	52.8
608.82562	3.0
712.26886	5.9
874.32703	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
86.44734	54.1
191.07175	100.0
202.99213	67.5
241.94525	67.4
309.62421	66.5
386.23325	70.1
387.51578	59.1
416.67413	70.2
530.32141	79.1
548.03033	76.7
568.83160	66.7
634.16766	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75795	0.9
70.66586	0.9
89.02468	1.7
112.18715	1.0
130.72839	0.9
156.27541	0.9
201.27919	0.9
223.13432	5.4
233.04831	40.4
234.05518	1.0
235.06537	1.4
246.05577	10.8
247.06389	4.4
248.03561	11.6
248.07220	7.4
250.05063	1.4
261.04407	6.4
262.05099	31.7
262.07703	1.5
263.05911	17.6
264.06808	3.3
267.12393	6.3
275.05862	1.0
276.03494	0.9
276.06732	4.9
277.03946	5.0
277.07181	1.3
278.04550	13.0
278.08234	15.4
280.06143	6.0
289.03769	2.1
290.04462	7.3
291.05383	10.9
292.06174	24.7
293.07004	12.0
305.03421	4.9
306.04092	45.5
306.07736	16.6
307.08438	0.9
308.09225	3.4
320.05655	50.3
321.06506	11.3
334.07437	1.3
335.07950	19.8
336.08810	100.0
380.07785	51.6
380.12720	1.5
395.91058	1.1
476.50604	1.0
535.01648	1.1
771.13739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.241
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50409	0.2
81.39677	0.2
84.58930	0.2
86.26772	0.2
92.23105	0.3
99.74837	0.2
116.95123	0.2
118.45267	0.2
165.43842	0.2
173.55261	0.2
181.12370	0.3
191.14418	0.2
218.24771	0.2
234.67224	0.2
250.14624	0.2
268.03781	33.9
283.06131	100.0
291.66034	0.2
591.17859	0.4
597.32690	0.2
622.08313	0.3
622.61914	0.2
777.39417	0.4
850.94238	0.3
875.42920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50937	0.2
71.31942	0.2
71.41532	0.3
72.99302	30.6
93.03436	1.6
109.02948	0.3
111.04531	2.4
123.04511	6.3
135.04515	7.9
137.02461	0.4
150.69600	0.3
151.04051	1.3
153.05577	0.5
155.03499	0.6
173.04520	5.6
179.03503	39.4
191.05557	0.5
197.04564	100.0
224.45204	0.3
231.18443	0.3
235.83595	0.3
241.77715	0.3
341.08829	2.2
346.56024	0.3
359.09882	5.9
479.11795	0.3
497.12997	4.9
515.14099	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
79.13649	1.2
85.02962	17.2
87.00867	23.9
111.00878	100.0
112.66642	1.3
115.80991	1.5
129.01927	9.1
143.03462	1.3
154.69382	1.5
173.00894	3.4
191.01997	92.4
191.05615	26.9
297.39905	1.4
358.88983	1.4
484.67719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	4.8
85.02934	0.8
89.02430	5.8
94.63691	0.5
101.02448	5.7
113.02425	3.3
119.03485	1.3
121.05051	2.7
121.17669	0.7
127.66911	0.6
135.04567	0.9
136.55865	0.6
137.02435	0.7
137.05965	0.5
142.63721	0.6
147.04518	0.9
149.02382	3.4
161.02460	1.4
163.03986	0.8
164.04791	22.5
173.01662	0.6
175.00389	0.6
179.03514	2.4
179.07121	6.8
190.01021	0.9
190.02722	27.3
191.05598	0.9
205.05072	92.3
206.05809	4.3
208.03819	4.7
211.07660	0.9
221.08202	9.6
223.06129	47.4
237.07635	2.3
247.05994	0.8
250.04916	1.2
265.07166	23.2
273.71194	0.6
295.08188	6.4
325.09238	10.1
327.08670	1.2
332.26169	0.6
335.07675	3.1
367.72113	0.6
385.11447	22.4
447.46683	0.6
489.16214	100.0
725.55426	0.7
735.77997	0.7
737.33826	0.7
875.27350	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78243	0.6
69.33082	0.5
71.01353	0.6
80.28828	0.5
89.02449	0.7
96.96005	42.7
107.65100	0.5
113.02364	0.6
177.24892	0.5
185.30518	0.7
186.61119	0.7
205.05104	0.7
294.08807	0.8
296.42090	0.7
335.42780	0.6
350.52896	0.7
378.60034	0.6
469.17334	1.0
551.26941	100.0
676.53351	0.7
815.46814	1.1
875.37598	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58909	0.8
71.01379	23.4
73.02938	4.0
83.01381	2.2
85.02960	4.2
87.00854	7.5
89.02442	36.8
95.01361	1.7
97.02939	1.9
99.00876	1.1
101.02444	28.3
113.02449	17.4
119.03484	7.1
125.02443	7.8
131.03485	6.5
143.03442	3.8
161.04555	9.0
162.38074	0.9
179.05574	3.9
203.05649	1.7
214.43335	0.8
221.06657	11.0
235.08211	4.6
253.09129	1.3
255.23326	32.4
313.65216	0.9
315.80609	0.9
359.18805	1.0
383.11816	1.1
397.13663	1.6
415.14709	1.0
559.18890	58.5
577.19995	14.7
815.42896	100.0
897.55884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85921	1.0
65.81071	0.9
66.93573	1.1
71.01372	4.8
71.01794	0.8
73.65875	1.1
77.32508	1.0
80.96522	2.2
85.02968	1.3
87.00867	1.1
89.02444	8.5
94.25819	1.2
94.98090	1.2
95.01337	1.1
101.02452	8.8
113.02427	1.7
119.03502	2.4
161.20786	1.1
163.62135	1.3
177.12839	7.7
195.13904	29.3
225.00827	4.2
239.12756	1.3
255.23315	35.1
290.65536	1.2
477.98868	1.2
502.68866	1.3
630.52295	1.2
770.36267	1.3
841.66626	1.2
875.50330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51545	0.5
71.01337	0.5
75.93088	0.5
78.95908	2.7
102.53828	0.5
150.17279	0.5
152.99586	19.6
227.03325	2.7
245.04239	0.8
255.23314	100.0
376.07199	0.6
483.27356	63.0
559.19659	0.7
815.43188	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61044	0.5
66.41695	0.5
68.63848	0.4
74.97964	0.4
77.33544	0.4
78.95903	27.2
81.28877	0.4
96.96967	2.8
150.97995	1.1
152.99582	100.0
169.49377	0.5
171.00656	2.8
283.26389	2.0
327.91846	0.5
437.26779	62.9
517.23163	0.6
554.58099	0.5
650.95941	0.6
875.51666	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55979	1.1
70.46839	1.1
72.68343	1.2
78.52039	1.2
84.18189	1.1
92.22547	2.0
147.85278	1.2
190.31584	1.2
221.00011	1.3
221.78539	1.3
225.09163	1.7
227.10941	1.4
241.12517	1.6
241.25908	1.3
254.13100	11.7
255.13730	1.9
256.14691	6.4
267.13785	2.0
269.15521	9.5
281.15411	1.9
282.16159	4.6
309.18610	5.3
322.19440	2.6
324.20993	38.0
350.22473	2.0
378.25653	42.9
393.28073	100.0
437.27048	72.7
437.31976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
76.13005	0.8
78.95911	1.7
97.40705	0.8
152.99599	1.7
153.12859	4.3
156.08705	0.9
165.12862	5.6
179.10803	6.6
181.12338	31.0
196.35640	0.8
197.11911	4.5
199.13412	100.0
202.37717	0.7
213.07442	0.9
215.12866	1.7
255.23279	12.7
300.30609	0.9
363.25485	3.5
381.26477	45.3
403.66461	1.0
480.31018	7.7
876.60944	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57521	0.6
66.98791	0.7
67.01886	0.7
84.09126	0.6
84.19722	0.6
84.41083	0.6
86.99961	0.5
87.00874	0.8
87.18362	0.6
89.02463	0.7
90.11238	0.5
96.96024	0.9
111.00875	100.0
118.80870	0.6
157.41716	0.6
173.00925	11.6
240.90715	0.6
251.69891	0.6
359.00558	0.6
817.38269	2.2
877.25647	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.76087	0.6
85.02937	1.2
89.02383	0.8
92.23119	0.8
113.02445	100.0
116.96195	0.5
123.35365	0.6
127.03996	0.7
128.20018	0.6
137.02478	0.8
145.02930	5.8
160.01663	1.0
161.02455	1.1
163.04025	2.2
170.54056	0.6
175.03966	4.9
179.03670	0.6
187.03989	0.6
191.07126	2.2
193.05128	4.5
207.06723	0.8
235.06013	4.1
265.07108	0.7
272.05243	0.6
307.08234	5.5
329.51624	0.6
421.11478	21.3
455.15652	8.8
595.79901	0.6
769.14386	0.7
877.29388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.76087	0.6
85.02937	1.2
89.02383	0.8
92.23119	0.8
113.02445	100.0
116.96195	0.5
123.35365	0.6
127.03996	0.7
128.20018	0.6
137.02478	0.8
145.02930	5.8
160.01663	1.0
161.02455	1.1
163.04025	2.2
170.54056	0.6
175.03966	4.9
179.03670	0.6
187.03989	0.6
191.07126	2.2
193.05128	4.5
207.06723	0.8
235.06013	4.1
265.07108	0.7
272.05243	0.6
307.08234	5.5
329.51624	0.6
421.11478	21.3
455.15652	8.8
595.79901	0.6
769.14386	0.7
877.29388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89633	0.3
67.01891	0.7
71.01385	1.5
75.21516	0.4
75.24024	0.3
87.00858	0.5
92.23119	0.4
93.03453	9.5
103.00071	0.3
111.04519	3.7
119.05017	7.2
137.02461	4.2
140.21944	0.4
143.15991	0.4
155.03511	4.8
163.04013	19.0
173.04550	100.0
191.05646	8.6
337.09338	48.1
367.10449	2.7
852.41785	0.4
859.35675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.9
69.03471	0.5
71.01383	1.7
77.93633	0.4
84.62904	0.3
87.15120	0.4
90.47380	0.3
93.03452	8.4
111.04505	3.4
113.02467	0.4
119.05014	7.4
127.04026	0.5
134.03760	0.5
137.02432	4.2
155.03513	5.3
156.37369	0.4
163.04015	19.9
173.04552	100.0
191.05597	6.0
193.05070	1.6
225.11325	0.5
240.39337	0.4
261.07568	0.8
337.09341	53.0
435.13168	0.7
562.74640	0.4
567.22900	0.6
756.10205	0.5
877.28058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.314
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00070	0.3
71.01372	2.1
72.99303	0.6
83.01357	0.3
84.15247	0.3
85.02933	1.4
87.00857	0.3
89.02431	2.4
90.18622	0.2
91.47679	0.2
91.84888	0.3
96.96013	0.3
97.02941	0.3
99.00876	1.4
101.02441	1.7
103.58919	0.3
113.02451	4.3
119.03484	0.6
119.05039	0.6
121.02873	0.7
134.03725	0.6
137.02449	0.5
137.06062	1.1
147.04523	0.5
149.01219	0.5
149.02428	15.8
149.06055	1.5
150.03183	0.3
151.03961	0.5
152.01175	0.4
152.04726	0.4
152.97736	0.3
153.01921	1.4
162.03232	0.4
163.04005	1.6
164.04796	85.2
165.02000	0.3
165.05676	0.4
166.02702	5.5
167.03477	0.6
175.03996	0.4
177.05576	3.2
178.06331	3.0
179.03719	1.1
179.07144	56.4
180.04271	1.7
181.05055	1.6
183.06650	3.4
188.50011	0.3
190.02721	4.0
193.05237	0.3
195.06647	2.9
205.05077	7.6
205.22705	0.3
207.06541	0.3
208.03787	3.1
209.04671	0.3
210.05318	0.4
222.05351	8.3
223.06126	13.0
225.07622	0.5
237.07625	3.5
329.10406	3.3
339.31482	0.3
344.12637	1.1
359.15070	0.4
368.83795	0.3
385.09576	0.3
389.12448	0.6
404.14746	0.3
413.14594	16.1
419.17056	3.6
463.16168	100.0
510.70215	0.4
590.45795	0.3
637.21478	12.7
877.30927	4.3
878.56567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11829	0.9
68.91277	1.0
71.01376	23.1
73.02944	5.7
75.71664	0.9
81.68567	1.0
83.01379	2.1
85.02951	6.0
87.00852	2.5
89.02427	20.7
97.02946	1.9
101.02436	29.7
113.02453	16.9
119.03473	10.3
122.86298	1.0
125.02459	2.1
129.73024	1.3
143.03458	2.2
161.04512	2.4
171.34993	1.1
267.57800	1.2
629.35876	2.0
674.91919	1.4
773.39618	13.0
791.40631	9.8
833.41931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18332	1.1
69.03440	1.2
71.01380	30.9
73.02947	9.6
83.01381	5.2
85.02946	11.1
87.00877	7.2
89.02444	30.9
94.76181	1.4
97.02951	2.6
99.00842	1.9
101.02439	34.2
113.02442	28.3
119.03500	16.6
125.02425	6.5
131.03487	2.5
132.00778	1.3
143.03444	2.2
161.04549	13.0
179.05635	2.8
203.05655	2.8
213.36908	1.3
221.06653	6.8
773.39832	28.6
791.40387	18.3
833.41882	100.0
877.34326	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50319	1.5
71.01376	3.4
78.95909	1.4
88.86737	1.4
89.02412	6.3
101.02409	3.0
119.03428	1.8
138.55537	1.4
151.11206	1.5
179.10799	2.7
197.11829	29.4
207.41867	1.7
220.36372	1.6
225.00899	1.6
255.23335	38.3
305.72195	1.4
475.85651	1.6
550.01801	1.9
877.47870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26216	4.2
71.01381	19.6
74.45879	4.6
85.02903	5.2
87.00864	10.6
89.02448	6.8
100.89434	5.0
101.02435	9.4
113.02429	6.6
119.03465	6.9
150.20284	5.2
152.99579	7.7
186.23735	4.9
196.44824	5.5
225.00615	7.0
255.23265	58.2
269.24887	22.4
297.24319	7.2
330.49783	6.7
341.11102	12.5
542.52777	5.3
579.33978	100.0
877.47253	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36288	2.6
71.01378	33.2
75.68497	2.5
80.38876	2.4
83.01373	4.4
85.02964	3.5
87.00883	6.1
89.02435	62.8
90.78632	2.4
95.01427	2.9
101.02448	33.3
105.72179	2.9
113.02441	32.9
119.03503	25.1
126.43875	2.6
143.03514	10.6
161.04601	12.0
179.05586	23.2
255.23335	78.7
269.24509	3.9
297.24469	27.3
323.09930	25.9
341.06769	3.2
341.10904	100.0
374.47238	2.7
400.44644	2.8
579.34009	92.6
875.09070	3.1
877.47198	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.6063
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33403	0.2
80.99405	0.2
83.05037	0.4
198.93033	0.2
214.31171	0.2
235.20650	1.0
245.46344	0.2
253.21756	100.0
279.23315	12.5
377.26593	0.3
464.83911	0.2
540.05792	0.2
794.69543	0.2
877.49402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	4.8
88.01721	0.6
111.00893	1.0
123.04543	1.0
126.83192	0.8
135.04541	1.2
160.04037	23.2
174.05359	0.8
179.03500	6.4
180.03856	0.8
197.04555	21.4
297.09857	0.9
312.12497	8.9
340.11929	86.1
355.14291	86.4
356.11429	19.1
359.09857	18.3
360.09903	1.0
398.03601	0.9
518.20770	100.0
688.09534	1.1
740.28967	0.9
782.15918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.5
82.02979	0.9
90.39210	0.5
96.00916	11.4
98.02473	2.4
111.01988	3.1
113.03569	3.4
114.05602	41.3
115.08758	0.7
124.04035	1.3
127.08809	0.7
129.10315	5.2
129.97189	0.6
131.04613	1.0
141.06697	2.3
152.07065	0.7
155.08232	4.2
165.10336	9.7
166.08728	7.3
167.08267	0.9
181.13451	1.3
192.10286	2.4
193.13536	0.8
208.10889	9.9
209.09378	8.6
209.12936	10.3
211.10870	0.9
211.14606	7.1
223.06151	0.6
226.11998	15.5
228.17126	5.7
246.16203	0.8
254.15204	1.2
263.90088	0.6
264.17203	5.0
278.22293	3.4
280.20334	9.0
290.15131	6.4
308.16299	2.0
314.66016	0.7
316.20276	0.8
325.18878	3.0
357.23123	1.1
358.21133	1.0
375.23938	0.9
411.46017	0.7
419.22794	0.8
843.46143	3.7
860.49133	13.5
878.50037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00871	100.0
99.81436	0.8
174.51996	0.9
180.37096	1.0
225.10011	1.0
468.09308	1.0
621.78119	1.2
653.75348	1.0
790.58093	3.6
878.59875	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60741	0.4
61.98467	0.4
71.48182	0.4
85.33179	0.4
112.07649	0.7
113.06081	0.6
129.10332	0.6
130.08714	2.1
137.09686	2.1
139.11281	21.2
155.10812	1.6
156.10231	1.7
156.13898	0.8
165.53127	0.5
166.80710	0.4
175.04004	0.6
181.08681	0.9
182.11812	0.8
183.10265	12.9
199.09781	5.7
200.12927	100.0
201.11310	2.3
215.14864	0.5
224.17729	0.5
225.16122	5.3
260.77542	0.4
337.26450	0.6
338.24438	1.8
341.01196	0.4
361.57309	0.4
659.48846	2.9
677.49725	41.1
678.49890	4.2
871.96497	0.5
878.63184	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.9
71.01397	0.9
72.99306	23.5
87.00854	1.4
91.56495	0.8
96.96000	4.6
101.02433	1.2
113.06985	0.7
121.03034	0.8
122.03664	1.0
123.04516	27.9
126.79256	0.8
135.04539	12.9
136.98793	1.4
137.66907	0.7
150.03198	4.5
151.04012	6.3
154.99838	6.9
163.04010	1.4
164.04828	1.1
165.01866	1.2
165.05579	1.6
166.02690	1.5
176.01111	4.1
179.03520	28.8
180.04291	4.3
181.05054	8.0
190.02721	1.7
191.03522	24.7
195.06654	8.5
197.04582	30.2
198.98848	3.6
205.05066	12.2
207.06609	1.4
209.04622	5.5
210.05254	1.0
211.06134	17.4
223.06093	8.5
225.07616	3.7
237.54753	0.9
265.07266	1.2
352.08133	1.0
353.08655	5.7
367.10156	1.1
565.15936	2.6
566.30139	0.8
645.49896	0.9
791.23267	1.0
879.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43536	2.6
71.01384	15.7
72.99300	36.8
73.02942	2.9
75.04321	2.5
75.74548	2.5
81.46444	2.7
85.02923	4.1
87.00874	15.8
89.02438	25.4
89.71956	2.5
96.95997	3.1
99.00871	3.3
101.02418	15.7
113.02425	27.0
119.71291	2.6
123.04472	5.9
134.03734	4.0
135.04497	23.2
149.04514	4.0
153.05551	4.9
165.01993	3.0
180.04308	14.5
186.27139	3.4
189.05374	3.6
191.05576	3.0
195.06660	27.7
208.03795	10.3
210.05354	5.3
223.06216	20.7
315.10880	12.5
429.13974	60.5
447.15067	4.9
452.30731	2.8
544.84015	3.2
562.52893	3.1
578.59320	3.0
652.19336	3.9
653.20996	12.8
819.30389	3.8
879.29327	100.0
879.58844	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81387	0.2
68.52229	0.2
70.76998	0.2
71.01382	3.9
85.02937	0.4
87.00893	0.3
89.02439	2.2
97.02957	0.5
101.02440	2.1
106.87856	0.2
113.02422	1.5
115.04005	1.8
119.03451	1.0
120.10942	0.3
134.03729	19.6
137.02454	2.0
149.06075	19.8
161.04550	0.6
164.32243	0.2
174.81903	0.2
178.02711	28.2
179.03519	0.3
193.05060	100.0
204.49559	0.2
205.05045	0.3
259.08200	4.3
263.11349	7.9
277.09274	0.9
355.10373	33.7
378.75449	0.3
523.20398	8.8
712.92346	0.3
879.31702	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81387	0.2
68.52229	0.2
70.76998	0.2
71.01382	3.9
85.02937	0.4
87.00893	0.3
89.02439	2.2
97.02957	0.5
101.02440	2.1
106.87856	0.2
113.02422	1.5
115.04005	1.8
119.03451	1.0
120.10942	0.3
134.03729	19.6
137.02454	2.0
149.06075	19.8
161.04550	0.6
164.32243	0.2
174.81903	0.2
178.02711	28.2
179.03519	0.3
193.05060	100.0
204.49559	0.2
205.05045	0.3
259.08200	4.3
263.11349	7.9
277.09274	0.9
355.10373	33.7
378.75449	0.3
523.20398	8.8
712.92346	0.3
879.31702	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.5
63.47897	1.6
71.01375	2.6
72.99335	2.6
78.95904	2.1
92.23093	3.5
113.02435	6.6
124.27179	2.1
197.04524	3.2
219.16071	2.0
245.97783	1.8
248.08337	2.2
278.05878	3.5
293.08264	20.3
306.11111	1.9
308.10547	3.0
311.09262	11.8
323.09207	8.1
323.12906	34.4
326.11646	55.0
338.12024	2.3
341.13907	34.8
355.08475	2.3
361.15149	31.3
370.10623	17.9
385.13058	34.4
397.12939	100.0
415.14011	31.4
425.61621	1.9
457.15112	46.1
641.33160	2.4
759.28497	16.4
879.38013	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01412	2.7
79.95719	4.5
111.26402	2.5
125.26185	2.3
147.04549	2.7
149.02402	3.9
164.04787	25.5
165.01891	13.6
179.07118	12.4
180.04266	38.3
190.02715	2.7
192.14644	2.5
195.06630	77.3
196.88443	2.2
205.05128	12.8
208.03761	42.0
210.05371	15.2
223.06114	73.8
225.07677	15.4
401.12503	2.7
449.14526	33.1
452.20847	2.5
653.28210	13.1
879.36743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55632	0.5
64.10506	0.4
72.99300	6.8
98.11178	0.4
123.04478	2.9
131.12337	0.4
135.04518	4.2
162.01263	0.5
179.03531	7.3
197.04572	12.7
224.04565	0.5
267.06583	3.9
282.08911	1.0
310.10904	23.8
325.13220	99.7
340.15561	100.0
341.15759	0.6
538.21216	2.0
653.07159	0.5
680.27252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75760	1.5
69.14758	1.3
71.71605	1.4
72.99292	5.6
73.69811	1.3
100.01232	1.2
123.04475	1.8
135.04504	2.2
175.68953	1.9
179.03491	6.2
197.04576	14.7
205.16489	1.5
239.14983	1.4
247.79439	1.3
250.27591	1.6
256.16064	1.5
263.11084	1.5
267.06631	3.4
275.38376	1.5
281.75217	1.5
310.10797	24.3
325.13229	94.6
340.15549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	3.6
73.02940	1.2
82.29408	0.5
85.02954	1.0
89.02425	2.3
91.80732	0.6
96.41705	0.4
97.02946	0.5
99.00864	0.7
101.02448	5.4
103.20907	0.4
110.88258	0.6
113.02425	3.0
119.03518	0.7
141.99760	0.6
149.02415	2.1
152.01160	0.7
161.04581	1.9
163.04036	0.6
164.04799	9.3
169.05083	0.6
175.00334	2.3
179.07127	2.1
182.06677	0.5
190.02724	35.7
205.05066	99.0
208.03726	4.3
209.04518	2.8
223.06131	11.1
251.05557	0.6
273.09363	0.6
277.16684	2.3
336.16397	0.6
409.20819	14.3
439.12207	0.6
454.14877	3.1
469.17191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72925	1.0
71.01373	6.0
76.87640	1.1
89.02448	2.9
99.00872	24.2
101.02428	6.3
125.09703	6.5
153.98891	1.2
163.11234	1.6
181.12361	9.0
199.13388	2.7
207.10283	20.7
225.11340	33.8
235.08372	1.4
243.12364	20.9
255.23314	28.7
278.20068	1.4
408.61639	1.3
413.55188	1.4
879.49695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60034	0.8
62.29353	0.7
69.37909	0.8
71.01377	5.2
84.30996	1.0
89.02435	7.3
97.02943	1.2
99.00880	12.3
101.02419	6.6
107.61385	0.8
113.02424	1.6
119.03490	1.8
125.09718	5.1
155.10732	1.0
163.11316	4.3
181.12367	11.6
199.13414	5.0
207.10277	13.3
225.11357	22.3
243.12392	13.5
255.23322	25.7
411.52490	1.1
472.70618	1.1
489.33078	1.3
590.64178	1.0
831.97186	1.1
879.49744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68568	0.2
71.01383	1.6
71.36735	0.2
73.57594	0.2
74.88335	0.2
78.32809	0.2
89.02437	2.6
97.02945	0.3
101.02446	1.6
107.05066	0.2
113.02431	1.4
115.03996	1.2
119.03494	0.6
124.23045	0.2
135.03485	0.5
135.04524	14.2
162.03261	0.4
175.59477	0.2
203.84081	0.2
279.10837	2.3
282.05408	1.5
297.07599	0.5
309.07706	0.5
312.12473	0.5
320.05896	0.5
322.10901	2.4
340.11932	100.0
377.14609	5.7
390.94617	0.3
502.17273	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38063	0.1
79.95747	1.3
96.96001	100.0
97.07197	0.2
97.78732	0.2
158.73094	0.1
166.38496	0.1
251.32771	0.1
355.04517	0.2
432.07663	5.4
448.10831	2.7
449.22964	0.1
554.72235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
74.75962	0.2
77.32440	0.1
78.11987	0.2
79.95732	1.1
96.96007	100.0
102.22980	0.2
198.29279	0.2
252.44427	0.2
257.41724	0.2
311.07803	0.2
432.07715	5.0
448.10559	2.2
606.89801	0.2
654.55548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51340	0.6
72.98888	0.9
72.99304	23.0
78.57860	0.5
80.69594	0.5
91.22316	0.6
94.40161	0.6
123.04518	4.4
126.34071	0.7
135.04529	10.3
148.16490	0.5
154.28050	0.5
166.79056	0.6
173.76561	0.6
179.03511	41.1
197.04578	90.7
215.05629	0.6
254.91365	0.6
341.08936	1.0
359.09772	4.3
521.15204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46316	0.4
68.35897	0.4
72.99302	28.6
73.11024	0.4
113.02510	0.5
119.11022	0.4
120.89688	0.4
123.04527	6.8
135.04512	8.6
176.08722	0.5
179.03497	37.6
187.26332	0.5
197.04561	97.7
359.09833	3.7
521.15155	100.0
681.86292	0.6
885.97595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	28.4
88.92525	0.5
120.20247	0.5
123.04513	5.3
135.04488	6.8
151.04053	0.5
156.87366	0.5
179.01917	0.9
179.03502	36.9
197.04565	100.0
239.05597	4.5
246.95433	0.5
286.30173	0.6
359.09766	7.4
431.12115	0.8
447.19055	0.6
461.13092	0.7
521.15173	81.8
764.59503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23203	0.5
72.98888	0.8
72.99303	25.5
75.43459	0.5
110.07857	0.5
113.02460	0.7
123.04515	5.1
134.14851	0.9
135.04503	5.8
138.31247	0.5
172.77072	0.5
179.03502	30.7
197.04567	100.0
230.67386	0.6
257.33829	0.6
274.12064	0.6
358.33554	0.6
359.10010	6.3
361.79016	0.6
402.85983	0.5
511.20032	0.6
521.15192	79.6
842.62109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97355	0.2
69.69897	0.2
85.02995	0.2
87.00850	0.3
101.02409	0.3
110.63040	0.2
142.72833	0.3
209.14938	0.2
266.32550	0.2
268.03775	13.2
283.06125	100.0
362.72931	0.3
591.17365	1.1
633.18207	0.5
701.20966	1.5
719.22009	3.7
737.22992	3.8
761.22961	6.8
779.24091	16.4
821.25116	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	0.3
75.23715	0.2
87.00911	0.4
101.02459	0.4
170.87048	0.3
189.83823	0.3
236.80083	0.3
268.03793	12.5
283.06131	100.0
305.07864	0.3
347.55707	0.3
437.89078	0.4
471.12372	0.4
588.06805	0.3
591.17645	0.6
633.18408	0.4
701.20660	1.7
719.22241	4.1
737.23035	3.8
761.23096	6.8
779.24164	16.4
821.25354	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.309
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24434	0.5
70.61838	0.4
71.01376	7.1
72.99286	0.4
85.02932	1.1
87.00858	9.9
89.02431	9.0
92.23049	0.5
95.01352	0.5
97.02901	0.8
101.02434	6.6
113.02412	3.9
115.03988	3.7
119.03475	3.0
135.04446	2.0
148.57106	0.5
149.02371	2.3
149.46269	0.5
151.03996	0.5
152.01134	0.8
156.88289	0.5
163.03995	4.2
164.04807	5.6
165.01920	7.4
165.40573	0.5
166.02689	2.9
167.03596	0.5
177.01895	0.9
177.05588	0.8
178.06343	1.2
179.03519	1.1
179.07086	1.2
180.04265	15.3
181.05081	0.8
182.84492	0.6
183.06638	0.9
190.02724	3.9
191.03452	2.4
194.05849	0.7
195.06627	28.4
205.03299	0.9
205.05064	18.3
207.02959	5.1
208.03743	0.9
210.05389	5.1
222.05365	3.9
223.06102	5.9
225.07751	4.3
230.09544	2.1
245.11812	1.1
274.08490	4.1
275.09381	0.6
277.13324	0.5
289.10828	11.2
293.10297	0.9
307.11887	0.8
313.09308	0.8
321.09689	1.1
454.14731	2.5
469.17178	14.3
470.68884	0.6
567.20874	0.8
695.25305	4.2
728.40430	0.5
783.27222	8.5
793.29181	0.7
881.30792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36445	0.4
72.99300	44.4
81.30629	0.6
82.82270	0.5
109.02962	0.8
123.04514	21.5
135.04527	30.9
151.03972	2.9
175.07628	0.6
179.03506	49.9
195.75468	0.6
195.79541	0.5
197.04562	100.0
215.05490	0.7
262.95401	0.6
317.70050	0.5
329.13901	6.3
521.20209	6.2
881.31378	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00864	7.1
89.02405	1.1
92.22430	1.7
96.96033	0.9
101.02419	1.0
107.53793	0.9
111.07641	0.8
147.04495	1.8
149.02432	11.0
150.03169	1.0
153.01990	0.9
164.04802	43.6
165.01932	8.6
165.05524	1.6
165.63641	0.8
179.03494	1.4
179.07138	7.3
180.04298	15.7
190.02716	1.2
191.03421	4.8
191.05199	1.1
195.06619	24.7
205.05090	13.5
208.03799	4.1
209.04478	3.5
210.05289	4.3
223.06122	67.4
225.07690	3.6
250.45818	0.8
301.95914	0.8
342.11169	1.4
352.82944	0.8
362.76935	0.9
401.12195	1.1
407.80930	1.0
567.21124	6.1
783.03400	1.0
783.29224	1.3
793.29614	1.8
881.30914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86235	0.6
74.64553	0.7
76.73238	0.8
87.00863	7.6
89.02436	0.8
90.50873	0.6
101.02414	0.7
104.71681	0.6
113.02410	0.7
114.78549	0.7
147.04497	1.4
149.02429	14.8
149.06001	0.7
150.03220	1.8
161.02510	0.7
164.04808	47.4
165.01926	7.1
165.05521	3.0
171.10287	6.1
178.02658	1.0
179.03468	2.9
179.07140	9.3
180.04333	11.6
181.05077	3.7
190.02734	3.5
191.03423	1.6
193.05038	1.6
195.06659	24.4
205.05060	10.9
208.03854	8.3
209.04543	2.8
210.05368	5.2
222.05206	0.9
223.06140	73.4
225.07799	5.2
315.11172	0.7
327.08682	1.7
342.11111	3.9
401.12433	3.5
469.17343	1.2
567.20862	6.4
727.84491	0.8
793.29047	1.6
881.30756	100.0
909.54181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66518	0.7
68.80935	0.6
71.01373	3.8
72.99297	1.0
77.25426	0.7
80.23313	0.7
85.02914	0.8
87.00872	9.5
89.02452	6.0
92.23108	1.0
101.02419	4.1
103.43837	0.7
113.02445	3.1
115.04021	3.2
117.33225	0.7
119.03510	2.6
135.04565	1.1
149.02414	3.3
163.03969	1.5
164.04799	7.7
165.01968	8.0
175.00401	0.9
177.05511	0.9
178.06328	1.2
179.03519	3.1
179.07178	1.4
180.02715	1.3
180.04280	19.3
181.05119	0.9
190.02716	17.7
191.03528	1.6
195.06638	32.0
197.04601	6.1
205.05066	67.6
207.02800	1.4
208.03828	0.8
210.05379	6.7
222.05283	1.5
223.06169	12.0
225.07716	4.6
285.26913	1.0
328.86426	0.9
335.41684	0.9
342.11154	1.5
361.70828	1.0
401.12668	1.2
469.17313	5.9
695.25684	4.5
783.27374	6.2
881.30902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59879	0.9
66.57616	1.0
68.44999	0.8
71.01367	2.1
73.02940	1.0
76.94090	0.8
85.02921	1.1
87.00869	6.5
89.02433	5.5
96.96010	1.8
101.02422	3.7
109.04608	0.8
113.02449	1.2
119.03467	1.5
119.85188	1.0
132.10272	1.0
163.03990	1.1
164.04762	3.7
165.01907	3.8
179.03459	3.5
179.07133	4.8
180.04248	12.8
181.05136	1.7
190.02707	4.4
191.03497	4.2
194.05775	1.0
195.06645	17.7
197.08345	0.8
205.05070	38.7
210.05374	3.4
222.05367	1.1
222.38368	0.9
223.06152	12.4
225.07642	4.2
234.05286	6.4
235.06076	1.0
249.07657	7.1
262.08414	1.6
277.10788	1.5
318.59799	0.9
321.09830	1.3
401.12671	1.1
440.14514	1.2
455.16824	5.2
469.17206	7.5
499.15936	9.0
793.28625	4.0
793.43744	1.0
881.30823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.31
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	4.5
74.35324	0.9
86.85007	1.0
87.00865	7.8
89.02426	5.3
91.32241	0.9
96.95998	8.8
101.02444	3.6
108.68515	0.9
113.02407	1.9
119.03478	1.7
121.12274	1.0
121.13113	1.1
143.58569	1.0
149.68134	0.9
164.04771	3.7
165.01944	3.5
179.03529	2.1
179.07153	1.8
180.04266	10.3
181.05083	1.2
190.02730	5.1
191.03447	1.4
194.05901	1.0
195.06635	25.0
205.05075	49.0
210.05289	1.9
223.06163	10.2
225.07645	4.9
234.05341	2.1
249.07646	5.3
316.38266	1.1
375.16806	1.1
390.97452	1.1
401.12292	2.0
438.31555	1.1
455.16812	5.9
469.17157	7.7
499.16205	9.5
679.51831	1.0
722.16199	1.0
793.29022	2.1
836.87421	1.1
881.30798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.0
75.07224	1.8
121.02918	4.9
134.03734	62.8
135.04472	2.2
149.02486	5.1
149.06085	23.9
150.03239	27.9
159.02010	2.0
160.01581	4.6
165.05547	62.2
175.03986	19.2
178.02719	27.4
180.04250	4.7
193.05078	100.0
195.06635	15.1
233.01086	2.3
250.06450	2.2
254.09459	2.4
260.98718	1.9
282.08981	19.8
341.10391	17.9
389.07895	2.1
389.12552	47.6
416.47424	2.3
441.56555	2.1
509.87704	2.2
541.06848	2.4
641.28333	40.1
716.00214	2.1
738.98199	2.7
789.32489	2.8
837.35559	89.4
881.44165	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	29.4
73.02942	54.2
73.10437	1.5
83.01381	10.0
85.02949	6.6
87.03888	1.6
89.02435	18.5
95.01395	1.6
101.02440	56.5
113.02447	35.0
114.61051	1.7
117.03493	1.5
119.03490	8.1
119.05038	23.6
125.02399	2.1
131.03490	7.4
143.03523	2.3
145.02945	73.1
149.04559	10.5
161.04556	24.7
161.06071	23.7
163.04016	55.2
177.05580	2.4
187.04036	3.0
203.05640	1.5
205.05074	39.9
221.06689	17.7
235.06128	17.0
265.07205	47.0
278.57333	1.4
300.24457	1.4
306.50391	1.7
325.09341	21.6
356.77136	1.6
413.21936	33.5
423.13004	100.0
610.56128	1.7
851.24261	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	11.1
73.44971	1.8
85.02924	2.2
89.02442	9.7
101.02427	9.3
107.03501	2.0
113.02425	3.9
114.13654	2.0
119.03493	3.1
160.01920	2.2
181.12370	33.4
193.05000	4.1
195.13858	2.8
207.10291	2.3
225.11282	11.0
630.62506	2.4
701.39264	18.8
719.35980	2.8
881.45294	100.0
909.96252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4915
Annotation	Sapindoside B
Peak:m/z	Relative Intensity
71.01374	8.3
73.02925	1.6
77.74185	0.7
80.34690	0.8
84.51238	0.8
85.02935	4.8
87.00897	1.0
89.02430	10.1
92.23088	1.0
95.45671	0.7
99.00854	1.0
99.04478	1.2
99.39313	0.8
101.02435	4.8
103.04002	1.1
104.74630	1.0
109.02931	0.9
112.16342	0.8
113.02404	1.0
113.85750	0.9
127.03996	5.6
131.03491	3.6
145.05069	1.7
149.04573	1.4
150.67470	0.8
233.83421	1.0
295.39551	0.8
306.10791	1.0
350.46631	0.9
423.32751	5.7
469.33234	1.2
471.34824	34.4
525.36182	1.0
585.38239	10.2
603.39264	17.8
603.93335	0.9
749.45325	1.4
881.49213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.8
68.83784	0.3
71.01369	0.6
85.02946	0.5
87.00861	3.2
93.03445	16.8
99.00876	0.4
111.04494	3.4
111.35775	0.4
119.49889	0.4
127.32639	0.3
129.01953	0.4
130.88841	0.4
135.26556	0.3
143.03444	0.5
155.03564	0.6
161.02458	1.7
173.04538	10.5
179.03514	0.5
191.05624	100.0
193.05063	5.5
263.30939	0.4
281.04523	0.4
290.51755	0.3
340.62421	0.4
353.08817	30.3
389.83456	0.4
395.41229	0.4
529.15674	27.3
671.87451	0.4
680.87854	0.4
739.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.8
68.83784	0.3
71.01369	0.6
85.02946	0.5
87.00861	3.2
93.03445	16.8
99.00876	0.4
111.04494	3.4
111.35775	0.4
119.49889	0.4
127.32639	0.3
129.01953	0.4
130.88841	0.4
135.26556	0.3
143.03444	0.5
155.03564	0.6
161.02458	1.7
173.04538	10.5
179.03514	0.5
191.05624	100.0
193.05063	5.5
263.30939	0.4
281.04523	0.4
290.51755	0.3
340.62421	0.4
353.08817	30.3
389.83456	0.4
395.41229	0.4
529.15674	27.3
671.87451	0.4
680.87854	0.4
739.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.8
68.83784	0.3
71.01369	0.6
85.02946	0.5
87.00861	3.2
93.03445	16.8
99.00876	0.4
111.04494	3.4
111.35775	0.4
119.49889	0.4
127.32639	0.3
129.01953	0.4
130.88841	0.4
135.26556	0.3
143.03444	0.5
155.03564	0.6
161.02458	1.7
173.04538	10.5
179.03514	0.5
191.05624	100.0
193.05063	5.5
263.30939	0.4
281.04523	0.4
290.51755	0.3
340.62421	0.4
353.08817	30.3
389.83456	0.4
395.41229	0.4
529.15674	27.3
671.87451	0.4
680.87854	0.4
739.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36307	1.0
68.99807	9.3
71.01369	6.6
72.30077	1.3
74.37048	1.1
85.02948	1.3
88.98854	1.5
89.02447	9.0
97.02901	1.8
101.02450	8.9
108.02156	12.4
113.02441	2.4
113.55864	1.3
115.04012	8.8
119.03478	3.1
123.00860	6.6
123.04519	22.7
132.02200	1.4
138.03169	1.9
147.04463	1.6
150.03215	7.8
161.02437	13.5
162.03236	11.7
163.03990	13.3
165.05527	2.1
173.08156	1.5
177.05594	43.7
178.02721	38.4
179.03516	1.6
191.85110	1.3
193.05069	52.2
271.51822	1.5
415.11044	1.3
470.42334	1.4
725.24799	8.7
785.26813	87.4
823.26544	1.7
883.30273	100.0
883.44489	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33163	0.9
71.01383	10.5
79.65881	0.8
79.98359	0.8
85.02932	2.1
85.94881	0.8
89.02436	17.1
95.01406	1.1
101.02437	10.2
112.12128	1.0
113.02422	6.7
117.03419	0.9
119.03530	6.8
119.05010	14.7
133.06583	1.3
143.03441	1.3
145.02960	24.4
161.04672	1.6
161.06064	15.8
163.04013	68.1
177.05547	1.3
179.05603	8.6
187.04012	11.1
189.05586	95.7
191.07147	3.3
205.05077	53.6
209.06766	0.9
217.05051	1.0
217.08759	7.0
235.06148	33.0
259.09863	1.1
261.07706	13.6
265.07193	100.0
279.11035	1.6
303.08792	5.2
307.08221	1.3
321.09915	3.7
325.09341	11.2
333.09818	3.6
341.10941	1.1
351.10916	2.0
363.10880	12.0
381.11969	3.9
423.13058	8.9
441.14114	12.4
453.14084	4.0
483.15186	21.4
513.16187	14.7
543.17291	77.8
603.19574	20.5
651.44159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49575	0.7
72.99302	49.3
90.52011	0.9
97.76872	0.8
98.15186	1.0
109.02910	0.9
115.00404	0.8
123.04504	23.1
133.01416	3.8
135.04517	32.4
144.44865	0.9
151.04008	4.1
169.43004	0.9
179.03497	48.9
197.04567	100.0
361.16602	13.1
523.21875	11.9
532.92047	1.0
816.03235	1.1
883.32098	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50008	0.6
72.99310	4.3
75.00867	100.0
79.23535	0.6
79.59039	0.7
83.17139	0.7
100.42793	0.6
205.05066	1.4
243.82234	0.7
267.63394	0.8
270.13596	0.6
391.10587	0.7
401.57394	0.9
469.17065	5.5
485.83133	0.7
656.24426	0.9
883.31555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.398
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54050	1.2
71.01384	17.5
73.02944	10.9
83.01461	1.8
85.02930	2.8
87.00851	2.5
89.02446	11.2
98.13455	1.4
101.02431	16.5
113.02444	8.0
119.03497	3.5
126.92682	1.4
179.03470	1.7
203.10910	1.7
256.14691	6.3
258.16266	10.6
271.17114	13.2
300.43488	1.7
328.57175	1.4
340.20554	1.7
341.24908	3.3
353.24878	2.7
355.22943	1.5
360.23108	2.2
393.28067	7.6
409.31485	1.4
411.29123	14.5
429.30185	7.9
504.27448	2.8
522.28320	12.6
564.29236	3.0
572.33380	2.3
573.34314	8.1
590.34888	3.1
591.35400	5.8
605.40527	1.9
615.35687	15.3
617.37933	1.8
618.52032	1.6
632.35626	7.9
633.36627	24.7
666.85968	1.7
677.35205	3.2
735.40442	2.1
795.41736	18.6
839.40894	100.0
883.31403	2.7
893.95953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.9
73.02944	12.7
83.01387	1.6
85.02960	3.7
87.57827	1.8
89.02448	10.3
101.02441	17.9
111.36122	1.8
113.02443	7.9
119.03472	2.0
191.03429	1.9
203.10718	2.1
256.14700	4.0
258.16266	8.4
271.17126	2.3
341.24905	6.6
411.29126	12.4
429.30002	8.2
437.27100	2.9
497.68451	2.1
498.00168	1.9
504.27429	3.3
512.19684	1.7
522.28357	7.9
564.29657	8.2
633.36255	12.0
659.34412	16.2
839.40833	100.0
883.40100	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95919	15.6
96.96957	3.2
152.99615	10.5
158.19550	1.6
170.33737	2.0
171.10269	13.9
183.13890	2.3
211.13365	23.2
229.14406	13.9
241.01241	23.1
255.23286	32.9
329.23334	26.3
694.62415	2.2
697.59583	2.2
834.47601	2.5
883.51978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94188	0.6
71.84604	0.7
75.60484	0.6
78.95896	20.6
80.71731	0.7
96.96945	5.5
99.08142	3.7
111.24513	0.7
127.11260	1.6
131.49734	0.8
139.11273	8.3
152.99579	20.1
153.99786	0.8
171.10263	31.7
177.15727	0.7
201.11340	0.7
205.00412	0.7
211.13445	9.0
223.00185	1.3
229.14464	5.1
241.01208	24.0
255.23300	31.3
259.02371	2.9
285.11642	0.9
293.21332	1.5
297.03735	1.1
329.23392	22.4
409.23792	1.5
501.15564	0.8
883.51971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22839	1.3
74.98544	1.3
78.95900	19.2
121.29359	1.4
131.01701	1.6
136.20715	1.5
152.99590	100.0
171.00609	1.9
188.66064	1.5
196.03879	2.8
238.80470	1.6
253.21756	39.3
342.24939	1.8
350.98929	1.7
433.23514	49.5
450.26462	26.6
482.11938	1.7
591.40881	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.6
71.01359	0.7
71.81924	0.4
85.02946	0.7
87.00859	2.7
87.11489	0.5
93.03445	13.7
95.17978	0.4
111.04522	4.4
117.03436	2.1
129.01880	0.5
134.03737	37.0
137.02460	1.1
149.06094	8.2
149.44774	0.5
153.07986	0.5
155.03514	4.8
163.04073	0.9
173.04547	35.5
178.02765	0.5
191.05629	58.7
193.05069	100.0
222.36143	0.5
306.83939	0.4
316.07394	0.5
367.10370	92.7
499.79904	0.6
517.15674	0.5
546.01422	0.5
887.41901	0.7
893.14441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.6
86.67799	0.4
89.02437	1.1
92.22509	1.0
96.96017	0.6
112.07974	0.5
113.02428	1.1
117.29126	0.4
119.87861	0.5
121.02916	0.6
134.03772	0.7
149.02414	9.9
149.06050	0.7
153.01910	0.8
164.04796	71.1
165.01883	0.6
166.02716	4.4
167.03558	0.6
167.23271	0.6
175.04111	0.5
177.05544	2.0
178.06351	4.6
179.07144	55.4
180.04301	2.0
181.05078	1.0
183.06610	2.7
190.02661	0.8
195.06664	4.3
205.05106	5.3
205.08617	0.6
207.06540	0.8
208.03789	1.1
208.07365	0.7
222.05359	7.4
223.06143	9.4
237.07684	5.2
329.10419	2.2
361.15027	2.3
402.83395	0.7
410.85190	0.5
416.01602	0.5
419.17337	1.8
463.16174	100.0
585.21948	11.9
595.19330	0.6
655.01099	0.5
753.12207	0.5
825.31854	7.2
864.70477	0.5
885.40460	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70797	0.2
76.29510	0.2
82.43288	0.2
85.02976	0.7
87.72977	0.2
89.52780	0.2
93.03478	0.2
101.49036	0.3
127.03966	0.3
138.68483	0.2
144.04521	0.9
158.17303	0.2
160.04106	0.4
161.02414	1.8
162.05612	1.9
165.96837	0.2
173.04567	0.2
179.03442	1.1
191.05620	100.0
207.47032	0.2
253.17404	0.2
268.06223	0.3
275.25677	0.2
280.06021	0.4
296.05658	2.3
310.07358	1.5
311.07974	2.2
324.05548	0.2
326.10355	24.3
353.08804	27.8
370.09402	2.4
531.37366	0.2
532.14642	15.4
533.13416	0.3
803.26099	0.2
857.28357	0.3
886.26733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.522
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25229	0.5
72.51692	0.4
77.28884	0.3
78.95901	28.8
94.68530	0.4
96.96947	3.5
97.18732	0.4
131.53151	0.5
140.01198	2.3
150.98061	0.4
152.99582	100.0
170.35803	0.4
171.00679	2.7
179.47870	0.5
185.60681	0.4
195.05992	0.4
196.03824	6.0
214.04868	0.8
255.23323	1.9
279.23309	55.4
280.04181	0.4
380.64581	0.5
409.23676	57.0
476.27875	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.246
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61288	1.0
71.01385	6.0
71.30879	1.1
72.99316	1.1
75.00871	6.5
85.02950	6.0
87.00887	1.8
89.02473	1.6
93.03474	1.2
95.01349	1.3
99.00891	2.3
113.02447	15.7
119.05001	1.3
122.72731	0.9
127.03929	0.9
134.03725	8.9
149.06035	4.1
155.03511	2.0
157.01285	1.1
161.02451	1.3
163.03993	2.1
173.04521	2.3
175.02524	1.1
175.03990	4.9
191.05647	1.4
193.05095	27.2
203.96054	1.2
217.03436	2.0
249.06168	17.9
267.07184	36.1
268.34061	1.2
335.73477	1.1
443.12012	100.0
543.66364	1.3
601.54773	1.0
837.67737	1.2
887.27002	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	2.1
69.03421	0.5
71.01367	0.6
77.95594	0.4
85.02951	0.8
87.00879	6.7
92.22601	0.6
93.03447	23.4
105.64809	0.5
108.60966	0.4
110.55619	0.4
111.04514	5.4
113.02441	0.8
129.01921	0.4
134.03728	2.6
140.98285	0.4
149.06033	0.7
155.03458	0.8
173.04555	12.2
175.03987	0.6
191.05626	100.0
193.05046	9.6
296.75714	0.4
336.44699	0.5
367.10370	61.8
526.78131	0.5
888.78577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25036	1.4
78.78713	1.9
85.02952	2.2
115.77041	1.5
123.00839	2.4
124.01604	1.8
134.79385	1.6
137.02484	2.2
138.03224	2.0
151.52866	1.7
153.05548	4.2
165.01906	48.6
165.05525	2.2
166.02716	14.6
179.03494	11.4
179.07132	2.0
180.04280	75.7
181.05067	26.8
190.02742	1.8
191.03542	7.5
191.05608	27.2
192.04260	2.6
194.05853	9.6
195.03091	2.1
195.06639	100.0
205.04994	25.2
206.05844	26.0
207.06621	2.6
210.05373	21.5
219.06549	2.0
220.07370	20.9
221.08202	39.4
225.07709	27.0
233.08177	12.6
239.09253	2.3
287.09189	2.8
372.12100	2.0
387.14682	7.0
451.15918	4.2
477.17938	2.5
565.20984	2.7
613.22870	15.3
661.25177	15.0
744.30774	2.2
839.31348	27.0
887.33301	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.8
69.03438	0.7
71.01378	0.6
83.53681	0.3
85.02943	0.4
87.00861	4.6
93.03450	21.9
111.04498	3.6
111.05157	0.3
113.02447	0.7
129.01970	0.6
134.03745	2.2
155.03493	0.9
173.04555	12.3
175.03999	0.6
191.05627	100.0
193.05055	7.9
223.15988	0.4
238.77965	0.4
254.64806	0.3
268.88138	0.4
274.29044	0.4
281.26288	0.4
366.27368	0.4
367.10376	65.5
443.12189	0.7
606.79749	0.4
606.89862	0.4
797.08606	0.6
903.04730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86784	0.7
63.28152	0.6
63.35627	0.7
71.01378	3.7
73.02950	0.8
78.98598	3.0
79.95731	7.5
80.96516	29.7
80.96989	1.4
94.98073	6.9
99.00867	1.8
101.02414	0.9
106.98092	1.1
113.02408	0.7
116.82067	0.8
125.02412	1.8
127.03958	0.9
134.97569	3.5
136.99139	0.7
142.52490	0.7
148.99146	4.8
152.36058	0.8
152.98631	4.9
154.13570	0.8
164.98625	12.6
206.99686	3.8
211.09752	1.3
225.00760	28.0
277.21646	2.9
411.13306	1.0
609.25891	3.0
638.69470	0.9
639.67108	0.9
887.48315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.6624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78231	0.2
77.91380	0.2
80.96510	0.3
106.15834	0.2
110.97882	0.2
137.09729	0.3
141.12834	0.3
153.72272	0.2
155.10776	9.4
158.06020	0.2
161.13617	0.2
162.66177	0.2
171.10353	0.3
191.71477	0.2
197.57884	0.3
215.12921	0.2
225.00818	0.3
243.51558	0.2
279.23334	10.6
295.22653	0.9
297.24377	100.0
448.35617	0.2
617.89008	0.3
887.48291	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66940	0.3
61.98834	100.0
64.05988	0.4
78.50013	0.4
100.85324	0.4
134.03091	0.4
149.02405	0.4
164.04796	2.6
165.05183	0.5
177.67715	0.4
179.07111	1.8
180.07542	0.5
202.44933	0.4
205.05023	0.5
463.16312	0.5
464.16486	0.5
465.16782	1.7
466.17029	0.6
604.55231	0.4
730.60388	0.5
842.52625	0.4
888.29926	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71980	0.4
69.13348	0.4
70.69559	0.4
71.44376	0.3
74.63447	0.4
78.95896	19.2
88.33179	0.5
96.96957	4.0
98.99468	0.4
102.95600	0.4
112.92062	0.4
114.66339	0.4
132.77466	0.3
140.01198	1.0
150.98003	0.5
152.99579	100.0
171.00658	4.7
189.87775	0.4
196.03760	5.4
214.04834	0.5
239.50645	0.4
255.23300	43.2
281.24994	1.9
418.36917	0.4
434.23862	0.5
435.25192	49.8
441.00204	0.4
452.27881	23.1
478.29053	0.5
540.89624	0.5
924.49194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.3
79.95705	2.5
83.25130	0.3
96.96000	100.0
100.34165	0.3
102.63419	0.4
130.53162	0.3
193.05035	0.3
255.49008	0.3
625.63483	0.4
888.54987	21.1
889.52643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	5.0
67.45075	0.4
69.03446	2.0
71.01380	2.5
72.99306	8.9
79.44969	0.4
79.67957	0.5
81.03499	0.4
83.04989	0.7
87.00871	12.6
87.77406	0.4
88.44234	0.4
90.59285	0.4
93.03449	60.5
93.19042	0.5
99.00878	1.0
99.04540	1.1
110.91862	0.4
111.04517	10.9
112.86845	0.5
113.02435	0.9
123.04471	1.0
129.01918	2.2
134.03738	0.9
135.04517	2.6
149.06110	1.0
155.03529	3.5
173.04547	36.0
179.03482	11.0
191.05595	9.3
193.05080	11.9
197.04562	33.1
358.09412	0.7
359.09885	30.1
395.34674	0.6
529.15674	100.0
549.52344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72632	0.2
62.00539	0.2
70.29032	0.2
71.01360	0.2
84.29409	0.2
93.03470	0.5
111.04479	1.2
134.03734	8.4
137.02409	0.3
149.00882	0.2
149.06071	15.9
155.03517	2.6
173.04538	5.1
178.02707	7.3
193.05063	100.0
197.04584	0.4
355.10413	2.6
359.10132	0.3
490.23010	0.2
529.15674	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	3.8
69.43980	0.3
71.01376	1.8
71.41941	0.5
72.99290	3.5
81.03461	0.5
82.29466	0.4
83.05016	0.4
87.00858	8.6
93.03446	44.9
99.00854	0.5
99.04462	0.8
101.02405	0.5
111.04512	9.7
111.34532	0.4
113.02433	0.5
123.04479	0.5
129.01915	1.7
134.03732	4.5
135.04459	0.7
137.02441	0.7
143.03494	0.6
149.06081	7.2
155.03488	4.1
173.04544	44.6
178.02675	3.8
179.03520	5.0
180.20135	0.4
191.05621	8.1
193.05057	52.3
197.04564	14.1
204.29951	0.4
212.37566	0.4
275.99475	0.4
355.10336	0.8
359.09885	12.9
380.32581	0.4
529.15686	100.0
783.77002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.0
69.02840	0.3
69.31539	0.3
71.01379	1.8
78.96245	0.4
86.75918	0.4
89.02438	0.4
93.03451	9.4
97.64881	0.4
106.41050	0.4
111.04517	2.5
113.02467	0.5
116.50862	0.5
120.47215	0.4
124.58814	0.4
124.78606	0.4
134.03735	9.7
136.97935	0.4
137.02417	3.8
149.06067	1.6
155.03503	4.8
158.23279	0.4
173.04550	100.0
191.05627	2.5
193.05084	18.8
367.10367	48.9
417.29825	0.5
443.12115	0.5
521.17175	0.5
713.01880	0.6
889.27307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	1.6
69.03509	0.3
71.01374	0.5
76.80802	0.3
85.02922	0.6
87.00860	4.6
89.73016	0.3
93.03447	21.6
93.53143	0.3
103.67390	0.3
108.58459	0.3
111.04502	5.3
113.02512	0.4
113.43776	0.3
127.04010	0.5
129.01930	0.5
134.03729	2.3
155.03462	0.5
172.84402	0.4
173.04547	10.8
175.03925	0.8
178.02731	0.4
191.05621	100.0
193.05032	7.5
367.10352	64.9
814.85608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62727	0.3
67.01879	0.4
69.03453	0.3
71.01379	1.7
75.02972	0.2
93.02868	0.4
93.03452	9.9
109.03036	0.2
111.00870	1.0
111.04546	2.4
117.03446	0.5
121.77875	0.3
134.03735	8.3
137.02437	5.1
142.48312	0.2
149.06085	1.9
155.03503	4.9
165.05479	0.3
173.04550	100.0
177.95354	0.3
193.05063	17.6
249.34589	0.3
288.71252	0.3
319.01868	0.3
367.10376	48.6
473.74225	0.3
494.78784	0.3
762.75836	0.3
889.29852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	1.9
73.62044	1.0
85.02905	0.9
85.91093	0.9
94.26580	0.9
101.02427	1.5
111.00828	1.1
113.02393	1.2
121.02969	1.1
123.04460	1.1
149.02415	4.5
150.03189	1.7
154.99823	1.7
160.05286	5.1
163.03987	1.8
164.04793	14.3
165.05559	1.1
170.39166	1.0
171.90784	1.0
175.00375	1.8
175.07684	13.9
177.05551	1.7
178.06355	6.0
179.07140	4.6
190.02762	24.6
191.05563	1.7
192.07918	4.7
193.04968	1.4
193.08754	2.0
197.04402	1.3
197.51480	0.9
205.05074	82.7
206.88594	1.0
208.03886	1.1
223.06125	24.0
299.38705	1.1
315.12363	3.6
329.13974	49.4
352.08301	1.0
367.10345	17.6
427.85150	1.1
427.90762	1.0
485.16476	1.0
532.66321	1.1
727.26343	18.8
889.31427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42995	0.6
66.75835	0.7
68.99815	1.6
71.01363	4.3
71.34907	0.7
72.99301	0.7
73.73855	0.8
89.02431	5.7
96.95992	0.8
101.02453	6.6
108.02169	1.5
112.95898	0.9
113.02452	3.1
117.41161	0.8
119.03486	1.4
123.00846	3.4
123.04506	5.7
125.84919	0.7
138.03238	1.2
147.04517	1.0
149.02457	1.7
150.03230	1.6
151.03958	1.0
161.02385	3.9
162.03214	2.8
163.03983	7.1
164.04810	9.3
165.05658	1.1
166.02673	3.4
177.05571	16.2
178.02702	5.1
179.03496	1.1
179.07156	1.4
180.04245	0.8
183.06697	0.9
190.02728	21.4
191.03487	1.5
191.05711	0.7
193.05072	17.7
194.05841	1.7
195.06696	5.5
197.04637	0.9
205.05072	65.8
207.02960	1.8
222.05478	0.8
223.06108	11.6
229.40881	0.9
248.10147	0.8
419.13388	5.0
469.17218	12.6
859.30475	5.6
871.29895	1.5
889.31274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77119	0.5
71.01018	0.5
71.01371	5.4
73.02934	2.3
79.48352	0.5
82.21039	0.6
83.01273	0.6
84.19606	0.6
85.02956	3.3
89.02448	4.7
95.98836	0.6
99.00851	0.9
101.02437	3.7
113.02442	100.0
119.03501	1.2
125.02376	0.8
143.03499	0.7
161.04565	3.6
163.72278	0.6
197.06793	0.6
258.27679	0.6
286.71506	0.7
313.16397	1.1
331.17545	3.1
373.18716	26.2
468.78998	0.7
516.35406	0.6
884.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26859	0.2
81.21852	0.3
94.26587	0.3
99.88401	0.3
137.67526	0.3
183.13945	1.1
195.13937	4.1
213.14981	42.5
261.60382	0.3
268.03796	19.8
283.06149	100.0
675.19373	3.8
731.52698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14376	1.1
93.83186	1.1
94.38046	1.3
121.45846	1.4
154.76909	1.1
169.12411	1.9
183.13885	12.0
195.13953	10.5
202.57506	1.2
213.14977	100.0
268.01608	1.2
268.03885	17.0
283.06122	83.5
284.06543	1.5
421.73196	1.5
598.80750	1.6
675.19312	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.482
Annotation	dipalmitoyl phosphatidylinositol 3-phosphate
Peak:m/z	Relative Intensity
69.03418	0.5
71.01376	6.3
73.02952	1.0
80.96478	0.8
87.00871	1.1
89.02437	9.4
94.92720	0.5
101.02442	8.2
113.02430	4.1
119.03481	1.3
125.02450	1.9
130.39465	0.6
151.11272	1.2
161.04430	0.9
169.12346	20.2
171.10266	46.6
179.05605	0.8
213.11250	3.6
221.06682	2.3
224.74226	0.6
231.12375	1.2
235.08191	1.3
249.02823	0.5
277.21747	21.6
313.10922	0.7
495.00128	0.6
556.28479	1.0
557.28479	2.8
615.53760	0.6
889.48071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66804	0.2
70.02679	0.1
74.17841	0.2
85.02929	1.4
93.03439	0.3
111.34543	0.2
113.02431	4.0
119.04997	0.8
133.03006	0.2
135.04494	0.8
135.72128	0.2
155.13661	0.2
161.02428	1.9
163.04042	1.1
164.03693	0.2
173.04549	1.7
179.03468	1.7
191.05632	100.0
245.61482	0.2
256.59708	0.2
261.07816	0.2
274.96707	0.2
280.96686	0.2
341.75839	0.2
353.08835	32.2
423.13278	0.2
451.12448	1.5
461.13852	0.2
537.16162	1.1
690.06519	0.2
891.25995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	2.1
69.03443	0.3
71.01367	1.2
81.03442	0.3
85.02932	2.7
87.00861	5.2
93.03449	17.0
101.02445	0.3
110.15836	0.3
111.04533	4.1
113.02454	0.6
117.03513	0.3
117.98854	0.3
119.05004	0.6
127.03928	0.3
129.01913	1.4
134.03758	2.0
142.41771	0.3
145.02998	0.4
149.06052	0.5
155.03517	0.7
163.03998	2.4
173.04553	12.8
175.03963	0.6
187.26952	0.3
191.05629	100.0
192.05936	1.3
193.05052	7.5
267.07358	0.4
324.10489	0.3
365.66943	0.3
367.10367	58.2
368.10776	1.5
369.11130	0.4
413.11133	1.1
425.14600	1.4
429.33734	0.3
446.91882	0.3
464.60385	0.3
523.18225	0.7
754.69128	0.3
891.28339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	2.1
69.03443	0.3
71.01367	1.2
81.03442	0.3
85.02932	2.7
87.00861	5.2
93.03449	17.0
101.02445	0.3
110.15836	0.3
111.04533	4.1
113.02454	0.6
117.03513	0.3
117.98854	0.3
119.05004	0.6
127.03928	0.3
129.01913	1.4
134.03758	2.0
142.41771	0.3
145.02998	0.4
149.06052	0.5
155.03517	0.7
163.03998	2.4
173.04553	12.8
175.03963	0.6
187.26952	0.3
191.05629	100.0
192.05936	1.3
193.05052	7.5
267.07358	0.4
324.10489	0.3
365.66943	0.3
367.10367	58.2
368.10776	1.5
369.11130	0.4
413.11133	1.1
425.14600	1.4
429.33734	0.3
446.91882	0.3
464.60385	0.3
523.18225	0.7
754.69128	0.3
891.28339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38934	1.0
71.01377	20.9
73.02937	2.9
85.02974	2.2
89.02436	33.2
99.00874	1.1
101.02441	15.1
113.02455	9.0
117.24435	1.2
119.03477	7.9
125.32212	1.1
131.03516	11.6
133.01425	2.1
134.03723	2.1
149.04553	5.0
149.06105	2.4
153.01981	1.6
191.05656	10.2
461.16724	100.0
573.44025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44781	0.8
71.01382	2.0
90.62570	0.8
99.00878	1.0
101.02428	1.7
136.84827	0.9
149.02435	1.8
161.04674	0.8
163.04007	1.0
164.04813	10.9
165.05519	3.5
175.00391	1.4
175.03992	4.0
179.07030	1.3
180.04227	1.1
190.02728	33.2
191.03453	1.2
195.06564	1.6
205.05067	100.0
208.03816	3.7
209.04587	1.3
223.06192	14.9
254.94502	0.8
347.86673	1.0
375.65082	1.1
439.16589	1.3
454.15112	3.4
469.17203	75.0
614.89203	1.0
695.25287	6.6
843.31042	13.7
875.29028	1.0
891.32324	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09565	0.6
71.01376	4.7
72.99323	0.9
75.58993	0.7
81.23464	0.7
89.02441	1.4
100.67029	0.8
100.67768	0.8
115.86147	0.8
122.16041	0.8
135.04533	1.1
150.03275	5.9
151.03970	0.9
164.04822	1.8
165.05568	14.1
176.04753	1.1
177.01967	3.3
179.03519	4.5
179.07076	1.3
180.04289	1.1
181.05075	8.3
182.05850	41.0
192.04286	9.0
194.05888	3.7
195.06613	12.4
196.07358	8.8
197.08211	65.4
205.05098	3.2
207.06667	12.5
208.07416	20.8
209.08176	3.3
216.29991	0.8
223.06288	1.3
223.09767	15.5
236.06894	16.0
239.09293	1.0
251.09265	100.0
269.10321	73.0
285.07397	1.0
300.10019	4.6
301.07162	9.2
315.08801	26.7
316.09537	13.8
330.11124	27.0
330.14206	1.0
331.11819	9.2
346.10641	1.3
361.12949	18.0
375.66983	0.9
503.24973	1.8
612.60150	1.1
631.24323	3.3
683.33698	1.0
793.29382	53.1
891.32056	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	2.1
64.75980	0.9
71.93752	1.1
72.95261	1.1
73.49919	1.1
75.53581	1.0
83.99288	1.1
89.02451	1.2
92.23124	2.1
92.81869	1.0
101.02425	1.7
116.92872	2.3
149.02399	3.9
152.01070	1.6
164.04810	12.3
165.05539	2.1
174.33568	1.0
175.00414	2.2
175.03978	4.5
179.07133	2.0
180.04193	2.2
189.89140	1.1
190.02736	34.4
195.06609	1.7
205.05074	100.0
208.03795	3.6
209.04515	1.7
223.06146	14.8
347.11700	1.1
454.14893	1.4
469.17209	80.7
695.25598	9.3
843.30750	11.3
891.32568	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69834	1.0
71.01345	0.9
72.99304	17.7
82.95399	5.5
93.81277	1.0
96.95998	31.4
101.02459	1.1
113.02449	1.4
119.03483	1.2
123.04498	5.0
135.04483	6.1
179.03503	19.9
197.04568	46.2
237.68887	1.1
242.23325	1.3
262.85678	1.1
310.79730	1.2
356.84167	1.2
371.25769	5.0
407.29733	4.0
425.30789	12.9
444.26941	1.0
459.28577	1.3
493.29654	1.7
587.31854	1.3
606.34045	1.2
621.15533	1.4
643.99237	1.2
891.34930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.7
71.01377	0.5
73.02944	0.4
83.01383	0.7
85.02943	11.3
85.75794	0.4
92.23093	0.8
97.06576	2.0
99.08132	0.5
125.06081	1.0
137.09749	4.0
139.11330	0.4
143.07138	22.5
149.09773	0.6
155.10791	13.2
167.10741	0.5
167.95470	0.4
173.08089	0.4
174.42836	0.4
183.10272	7.7
195.13907	0.6
197.11852	7.6
201.11388	3.6
211.13377	0.6
219.13838	0.5
219.17558	0.5
223.13379	3.0
231.24867	0.5
237.14919	0.6
241.14342	1.6
255.11418	1.6
263.12915	0.9
263.16544	3.3
268.03745	6.6
280.33081	0.4
281.17609	0.9
283.06131	44.7
284.06409	0.5
299.15158	6.5
299.18634	100.0
304.87579	0.5
591.16913	3.1
704.04974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12723	0.4
71.01022	0.5
71.01379	5.2
73.02927	1.0
87.01971	0.5
89.02435	9.2
101.02444	6.4
113.02438	2.5
116.91012	0.5
118.78192	0.5
119.03503	2.2
125.02412	2.0
143.03528	1.3
151.11275	2.9
161.04573	0.9
169.12334	17.8
171.10272	41.6
196.97635	0.5
199.13409	0.7
213.11261	4.4
221.06624	2.7
231.12309	2.1
235.08278	1.1
279.23312	27.1
381.26746	0.7
397.13907	0.7
459.08658	0.6
730.15674	0.6
891.49689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16249	0.3
102.35095	0.5
107.01375	2.4
108.04582	0.6
121.02927	6.0
121.98695	0.5
124.13545	0.4
136.07678	2.4
151.00368	32.4
169.01434	0.9
178.99854	18.9
179.02271	0.6
193.01465	0.6
227.16689	0.4
229.05061	0.6
247.46344	0.4
257.04712	0.6
257.12976	33.6
273.04108	4.0
300.18719	0.6
301.03561	100.0
301.11868	16.7
301.50650	0.4
380.48096	0.5
478.26880	0.4
824.45996	0.5
841.97180	0.4
893.33215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58781	0.2
69.03454	0.2
70.60780	0.2
71.01384	0.3
79.41872	0.2
85.02956	2.6
90.89726	0.2
113.02445	100.0
119.05016	12.4
134.03761	1.0
149.06171	0.5
163.04015	19.7
172.01448	0.2
178.02730	0.6
181.88309	0.3
184.14629	0.2
191.05626	3.1
192.06035	0.2
193.05040	3.6
194.95251	0.2
217.08710	5.0
261.07721	10.0
275.08136	0.3
292.90536	0.3
353.08850	0.5
355.10349	1.4
379.14008	0.4
423.12967	3.8
435.13120	1.8
537.16254	11.1
764.59296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.7
72.99300	35.2
84.45226	0.5
84.53783	0.4
97.06145	0.4
109.02926	0.8
117.01913	0.9
123.04513	19.9
133.02937	1.9
134.03738	2.0
135.03490	0.7
135.04521	18.1
146.29501	0.5
149.06001	0.8
149.74632	0.5
150.03207	4.5
151.03995	10.2
153.05568	0.7
160.01683	1.1
161.02444	13.2
165.05582	2.9
175.04037	8.3
177.05630	0.6
178.02814	0.5
179.03500	44.9
183.20573	0.5
193.05051	4.6
195.06671	0.9
197.04572	47.3
211.06104	7.7
221.04649	0.6
235.06108	0.7
239.05508	1.0
245.04352	0.6
323.07681	4.9
337.09406	3.1
341.09375	0.9
655.10455	0.6
731.22125	8.4
873.18420	0.5
893.27301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35278	0.9
71.01379	2.3
72.99294	5.0
76.08189	1.0
85.02948	1.1
89.02441	7.5
99.00858	4.9
101.02418	3.7
113.02422	5.9
119.03507	1.3
121.02945	1.0
124.55234	1.0
137.93692	0.9
147.04565	1.6
149.02437	17.3
149.05923	1.6
152.01164	2.1
163.03998	1.1
164.04785	37.9
165.01904	21.2
165.05508	1.4
167.07133	2.3
179.03484	3.8
179.07140	14.5
180.04274	48.5
190.02837	8.5
193.01448	1.8
193.04968	1.1
194.05836	5.3
195.06641	96.4
205.05084	18.1
208.03775	58.2
210.05356	20.5
223.06119	100.0
225.07698	27.6
295.05984	1.0
327.08859	1.8
401.12421	4.2
443.15659	15.2
449.14606	75.0
667.22565	24.8
893.30920	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80327	0.5
67.01894	0.6
68.60359	0.5
71.01414	0.7
73.82294	0.5
86.76402	0.7
92.23053	0.8
93.03434	9.0
103.95834	0.6
111.04523	2.8
116.35587	0.5
123.42628	0.8
127.04008	0.8
135.04529	33.8
137.02480	4.8
155.03522	7.1
161.02467	2.8
173.04553	98.8
174.04858	1.2
179.03513	74.5
183.31335	0.7
191.05637	39.3
353.08823	100.0
677.80511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93404	0.5
66.10078	0.3
67.01884	2.1
69.03445	0.5
71.01382	1.1
73.36966	0.4
75.28758	0.4
82.58879	0.4
85.02946	0.9
87.00864	3.8
93.03448	22.7
93.90322	0.4
99.00910	0.5
101.87029	0.5
111.04503	6.7
117.03443	0.9
129.01932	0.8
132.22829	0.4
134.03726	15.4
137.02472	1.6
149.06085	3.2
155.03505	3.7
163.03992	0.5
173.04550	47.2
175.03983	0.6
177.21771	0.4
191.05626	100.0
193.05066	42.0
196.46123	0.4
217.08606	0.5
367.10370	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21510	0.8
71.01375	21.1
72.98644	1.0
72.99302	38.9
73.02914	1.0
75.00858	1.0
77.06374	1.0
77.24786	0.8
80.82178	0.8
83.01389	1.7
85.02950	9.9
89.02440	22.6
95.01379	1.1
97.02926	1.6
99.00889	8.8
101.02435	12.9
107.89793	1.0
111.04511	1.3
113.02444	20.1
119.03475	8.2
123.04516	5.9
129.01955	1.0
131.03529	0.9
134.03714	4.2
135.04520	20.1
144.79445	1.1
149.02417	4.0
149.06046	3.6
150.03220	1.2
153.05597	10.5
161.04601	1.1
164.04779	24.8
165.05548	1.4
166.02629	1.2
175.03966	3.6
175.07632	1.1
177.05594	1.2
178.06453	1.0
179.05777	1.0
179.07173	15.3
180.04280	1.2
182.05913	0.9
189.05405	1.1
190.02631	1.8
191.03522	1.5
193.05023	1.6
195.06595	1.6
205.04994	2.1
208.03767	1.7
209.04459	1.5
222.05319	2.0
223.06107	4.5
226.67409	0.9
243.12375	4.9
297.09726	1.1
315.10910	17.4
380.63809	1.0
383.75906	1.0
429.14047	100.0
447.15048	4.0
463.15964	3.6
510.07956	1.0
633.25464	1.7
653.20746	7.6
697.25104	5.2
761.33911	0.9
863.32062	1.3
893.30829	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	2.6
85.95401	1.5
92.01447	1.5
95.28092	1.5
101.02423	1.8
121.02926	2.6
128.38356	1.6
129.34872	1.5
134.03751	11.5
135.04512	2.6
138.94266	1.5
149.02414	5.8
149.06055	7.3
150.03218	20.3
160.01662	19.0
160.05305	10.6
163.04033	3.5
164.04840	7.6
165.05560	28.5
166.74960	1.8
175.04005	100.0
175.07576	20.3
177.05499	7.6
178.02769	1.5
178.06335	15.8
180.04306	1.8
188.31461	1.6
192.06145	1.8
192.07979	6.3
193.05043	36.7
193.08836	2.0
195.06584	3.3
201.11310	2.0
205.05078	2.6
214.14450	3.2
225.07668	2.0
235.05925	2.0
241.86415	1.6
250.06287	2.3
253.08609	1.9
275.15079	2.3
282.09131	10.9
329.14011	46.2
337.09195	21.0
341.10236	8.9
426.71161	1.9
485.14642	6.5
533.16638	8.8
667.24133	33.6
697.25116	92.8
815.29150	7.2
845.30664	6.5
863.31158	22.7
872.84204	1.8
893.32861	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52505	0.8
71.01382	9.1
71.45927	0.8
72.99297	23.9
75.78211	0.8
76.54364	0.7
76.92480	0.7
82.95411	0.9
85.02937	2.0
89.02444	8.1
93.04803	0.8
96.95997	29.6
100.44434	0.8
101.02421	6.7
102.79191	0.8
113.02394	3.6
119.03426	2.9
123.04482	4.4
123.50469	0.8
132.98695	0.8
135.04533	8.6
151.04045	2.0
179.03488	28.9
197.04559	72.6
202.10056	1.4
203.10732	1.4
206.05164	0.9
271.07401	0.9
272.14206	1.2
274.15762	9.5
327.21826	1.2
327.51166	0.9
342.21878	3.8
410.27390	0.9
427.28131	1.3
436.21014	1.9
588.32434	1.1
589.33813	17.1
637.84918	0.9
731.36340	1.2
751.38922	1.7
770.75195	1.1
795.37811	5.3
893.37653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82655	0.2
64.99721	0.2
65.87658	0.2
73.02975	0.3
118.68109	0.3
129.21249	0.3
162.42767	0.3
219.92657	0.3
243.85287	0.3
275.20102	0.4
326.10635	0.3
416.95816	0.3
473.18256	1.3
482.15927	0.5
483.13141	0.4
483.19684	0.4
496.17435	0.7
497.14932	0.6
511.12668	3.3
511.20044	1.1
512.13507	1.4
525.14398	1.1
526.15027	100.0
527.16077	0.6
599.17975	72.7
893.39832	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	14.2
72.99307	19.6
73.02944	1.3
78.95923	1.5
82.57997	1.1
85.02915	2.2
89.02442	16.7
89.72770	1.3
90.98440	1.3
93.45881	1.2
96.96007	28.6
101.02431	14.5
113.02454	6.7
119.03484	5.2
123.04517	7.1
135.04520	9.4
150.16133	1.4
151.03894	1.5
153.01831	1.1
168.68245	1.3
179.03491	28.9
189.09161	4.9
197.04555	63.0
202.10005	2.5
214.32388	1.4
256.14685	2.5
266.79453	1.5
272.14273	2.4
274.15826	15.7
287.16437	5.4
319.10602	1.3
327.21851	6.4
342.22052	6.2
353.09842	1.6
362.57782	1.4
405.00720	1.4
409.27484	2.1
427.28821	2.4
436.21225	7.2
452.78085	1.7
504.27487	1.5
512.33948	1.3
588.33588	1.7
589.33765	22.3
645.76398	1.7
751.39496	5.7
795.37976	7.9
893.39703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85686	1.2
68.44488	1.4
70.90659	1.6
71.01379	12.1
72.99281	1.5
73.02948	1.6
73.93498	1.4
85.02940	2.8
89.02446	16.1
92.33974	1.3
95.73631	1.6
101.02443	15.5
103.62247	1.5
110.15617	1.2
113.02456	6.9
115.04033	2.4
119.03523	3.2
135.04578	3.0
149.06107	1.9
189.09241	3.0
197.04581	2.4
201.09137	1.7
202.10078	1.9
254.13182	2.7
256.14722	2.0
257.88116	1.5
272.14227	2.6
274.15717	18.4
297.10913	1.8
299.46179	1.5
335.18137	1.4
342.22034	5.5
427.28653	3.0
436.21115	8.9
568.81909	1.8
589.34027	12.0
591.04852	1.8
751.39905	1.7
795.38251	11.4
893.42096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.6003
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	0.4
85.63918	0.4
92.25170	0.3
92.92226	0.3
130.30830	0.4
152.99677	0.3
225.22250	42.6
253.21759	0.7
263.27353	0.4
271.22812	100.0
301.21677	0.5
376.74136	0.4
486.07657	0.4
513.85046	0.3
624.63593	0.4
741.64807	0.4
893.49500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.4
72.99303	61.8
85.02943	0.8
88.98792	1.4
89.02449	4.0
99.25132	0.6
101.02444	3.2
107.05045	0.9
107.79076	0.6
109.02940	0.9
113.02448	2.9
123.04513	15.9
135.04526	26.9
151.04080	1.5
153.05518	1.1
164.04741	0.9
179.03505	63.0
182.05849	1.0
191.78592	0.7
197.04564	71.6
198.64098	0.7
211.34079	0.8
214.14603	0.9
315.10837	0.9
375.85742	1.0
391.23517	3.2
429.14053	3.4
430.14417	3.3
431.14764	0.9
553.28900	5.2
640.34686	0.7
689.26361	0.7
805.25568	1.0
835.36810	3.8
895.38458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	13.2
85.02940	1.9
87.00849	2.7
89.02444	14.9
94.43011	1.1
94.45911	1.1
101.02428	15.6
113.02431	6.5
115.03979	1.8
119.03468	2.6
136.23257	1.2
181.30534	1.1
191.05637	5.5
203.10867	2.4
217.12233	1.4
256.14682	4.1
258.16306	12.9
270.16220	1.3
271.17099	4.6
272.17596	1.3
285.18777	2.2
323.23804	2.3
341.24930	11.4
342.21970	5.1
358.21902	1.4
360.23145	2.5
393.28006	5.4
410.28088	1.3
411.29248	7.9
429.30194	6.3
522.28363	31.7
573.34338	7.9
575.35687	1.4
590.34686	8.9
591.35504	22.3
753.40900	12.2
797.40002	2.0
895.43512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86653	1.4
69.55893	1.5
71.01389	18.5
83.01366	1.5
85.02953	3.0
85.62473	1.4
89.02446	17.9
101.02422	20.5
113.02444	9.2
115.03987	2.0
119.03477	9.9
125.22086	1.5
138.23750	1.6
183.19026	1.5
203.10855	2.7
256.14655	2.9
258.16229	8.0
271.16998	7.6
279.02606	1.9
286.56747	1.6
323.12839	5.8
326.11725	5.7
335.23938	2.1
341.13852	2.9
341.25113	2.6
353.25101	2.6
360.23090	3.4
377.14539	2.3
385.13034	1.9
393.28149	3.5
397.12933	8.1
411.29053	10.3
415.14182	2.5
429.30005	7.7
457.15005	2.9
522.28418	25.4
573.34521	12.3
590.34747	19.2
591.35437	30.9
753.41394	13.8
797.39966	9.4
895.43555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79380	1.8
64.67700	1.9
65.89732	1.7
71.01376	11.5
72.99286	2.3
75.88866	2.0
85.02937	2.4
89.02437	19.5
97.02954	2.0
101.02435	15.8
106.94398	2.3
113.02444	12.2
115.03967	3.1
119.98084	2.4
171.27388	2.5
177.43982	2.5
203.10843	2.2
203.92123	2.0
256.14740	3.9
258.16251	11.7
271.17038	9.7
310.88043	2.3
353.24838	2.6
393.28015	5.1
411.29016	12.8
429.30264	4.4
522.28503	20.9
531.71240	2.9
541.57452	2.9
573.35046	7.9
590.34760	10.4
591.35706	22.6
753.40723	14.6
797.39722	5.1
895.43628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84340	0.3
71.01376	9.8
73.02942	5.3
83.01392	1.5
85.02943	4.2
89.02451	3.1
94.65499	0.3
95.01361	0.4
97.02920	0.5
99.00874	2.9
101.02438	15.9
113.02453	7.8
125.02386	0.5
128.91054	0.3
129.01952	0.6
131.03496	0.5
136.78671	0.4
143.03505	1.8
153.16533	0.3
159.03026	3.0
161.04552	19.0
191.05664	0.4
192.52219	0.4
223.13409	0.3
305.13501	0.3
315.18170	18.5
447.22421	100.0
452.46902	0.3
629.81927	0.4
736.11011	0.4
828.12964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	18.4
81.98470	1.3
85.02949	2.2
87.00887	2.2
88.47478	1.5
89.02435	30.4
101.02425	13.7
113.02448	12.5
119.03477	12.1
127.13987	1.4
143.03362	1.9
155.14989	1.4
179.05611	8.2
195.13924	2.2
277.21753	63.1
282.63788	1.4
291.23120	1.8
293.21335	22.8
323.09827	10.3
341.10892	19.8
380.06522	1.6
405.88007	1.6
601.32385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41461	0.7
71.01379	16.9
73.02946	5.8
83.01385	6.9
85.02956	4.8
87.00877	23.3
89.02441	22.3
89.02959	1.1
92.22414	1.0
95.01376	1.8
97.02986	0.9
99.00874	0.9
99.84647	0.8
101.02454	14.8
106.56405	0.7
108.11929	0.8
113.02448	19.1
114.64772	0.9
119.03459	5.9
125.02449	1.5
131.03494	1.0
139.69554	0.8
141.01944	3.0
143.03445	1.2
161.04578	1.9
171.10306	2.0
179.05585	3.1
183.13837	1.5
252.42772	0.8
273.22336	3.8
275.20221	5.3
277.21759	66.5
291.23355	12.8
293.21262	9.2
319.22836	3.9
323.09860	16.4
341.10925	28.2
580.95209	0.9
601.32452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24554	0.1
79.95734	1.2
96.96002	100.0
115.08361	0.1
119.35103	0.1
137.30804	0.1
153.95047	0.1
233.32742	0.1
448.10739	6.9
485.41971	0.1
618.52734	0.2
840.88428	0.1
879.28027	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.0
90.66734	0.7
93.03455	3.9
106.10834	0.8
111.04477	1.2
117.03467	1.4
134.03740	32.5
137.02403	1.2
146.73419	0.7
148.65523	0.8
149.06053	8.1
155.03477	4.6
173.04541	37.1
178.02701	1.0
191.05647	5.6
193.05055	100.0
211.02696	1.0
218.47029	0.7
224.36024	1.0
284.35028	1.0
320.50061	0.9
367.10394	55.8
399.12625	1.0
406.32602	0.9
439.28317	0.9
529.15723	20.0
705.39679	1.0
878.29272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34530	0.3
67.33911	0.3
71.01387	0.3
73.35343	0.3
76.49855	0.4
82.79910	0.3
83.81353	0.3
87.00874	5.5
88.00407	1.4
88.01224	0.5
88.98801	100.0
89.02439	25.2
205.05180	0.4
232.87242	0.4
263.88873	0.3
360.09146	0.4
469.17313	1.6
484.98166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
75.72361	0.3
80.31102	0.4
87.00862	3.4
88.00399	1.8
88.98798	100.0
89.02441	16.7
100.41355	0.3
118.89531	0.4
159.68752	0.3
172.50249	0.3
180.72266	0.4
201.15213	0.4
208.64230	0.4
248.65877	0.3
271.09546	0.4
381.39896	0.4
469.17361	2.2
530.55884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3044
Annotation	Glycyrrhizinate dipotassium
Peak:m/z	Relative Intensity
67.84753	0.2
72.99302	42.5
106.47820	0.3
107.05010	0.3
109.02961	0.6
112.98299	0.2
114.49242	0.2
114.56098	0.3
115.47870	0.2
123.04513	20.6
124.73097	0.3
135.04524	27.5
151.04007	1.5
153.70303	0.3
179.03508	48.3
197.04565	100.0
232.50848	0.3
234.27057	0.3
238.71767	0.3
245.75528	0.2
246.50923	0.3
247.90466	0.3
327.12405	0.4
345.13522	1.8
375.14413	1.9
537.19904	6.4
586.16614	0.3
897.30383	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37952	0.3
66.32511	0.3
71.01377	1.5
72.99303	49.5
86.81813	0.4
89.02438	2.0
101.02437	0.8
107.05037	0.5
108.36598	0.4
109.02946	0.8
113.02396	0.5
119.03542	0.4
123.04509	25.6
135.04524	36.5
135.58226	0.4
150.03236	0.5
151.03957	2.2
165.05560	3.5
179.03505	56.5
191.07117	1.5
195.06656	0.7
197.04564	100.0
209.71474	0.4
215.05539	0.4
223.35155	0.4
231.33719	0.4
263.07529	0.4
312.10056	1.5
327.12421	6.5
359.09656	0.7
441.34283	0.4
491.88251	0.4
537.19855	41.2
588.05939	0.5
699.24628	2.7
897.30969	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	14.0
73.02940	1.2
89.02435	22.7
89.94909	1.3
97.02943	1.6
101.02451	16.3
113.02440	6.1
115.04002	12.0
119.03507	13.0
149.02432	1.4
151.06085	3.0
154.33250	1.2
164.04768	12.1
179.07121	1.9
190.02728	19.2
205.05072	62.1
206.05884	1.4
208.03867	1.5
221.08221	6.2
223.04005	1.9
223.06126	41.9
237.07718	1.6
247.29002	1.3
265.07300	17.1
279.10855	25.1
305.67413	1.2
325.09030	1.3
377.14597	41.2
519.17236	100.0
602.48291	1.4
629.30920	1.4
918.89655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01004	1.7
71.01378	25.0
72.99321	1.2
73.02959	4.5
74.59964	0.8
81.83073	0.9
83.01384	1.3
85.02957	5.7
87.00883	12.5
89.02441	45.2
95.01369	1.2
97.02946	2.1
99.00881	1.6
101.02444	33.5
113.02438	22.8
119.03492	7.2
119.62611	1.0
120.63256	1.1
120.72050	1.0
125.02431	9.4
131.03497	7.0
139.98932	1.0
141.38652	1.1
143.03470	6.6
149.04405	1.2
161.04561	9.2
179.05612	7.0
203.05701	1.3
221.06650	9.1
235.08296	2.2
248.94524	1.1
277.21768	25.3
290.77097	1.2
383.11838	2.1
397.13593	1.9
559.18890	75.0
577.19952	18.7
837.41364	100.0
897.43011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.434
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06744	1.1
68.33601	0.7
71.01373	32.6
73.02932	5.5
83.01366	2.2
85.02938	5.5
87.00862	7.5
89.02434	48.5
89.81700	0.9
95.01370	1.7
97.02954	3.5
101.02434	40.2
101.66274	0.8
110.53754	1.0
113.02441	21.4
119.03506	6.9
125.02458	11.2
131.03471	7.6
143.03481	5.8
149.04607	0.9
161.04526	6.3
169.05060	1.4
179.05597	6.3
203.05670	1.6
219.64238	1.1
221.06700	9.2
235.08272	7.2
263.07806	1.0
277.18661	1.1
277.21725	29.8
319.06378	1.0
383.11981	3.5
397.13528	2.3
415.14301	1.2
439.03976	1.0
467.40268	1.3
524.34290	1.1
559.18848	68.3
577.19818	15.9
837.41284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	27.8
73.02944	4.8
83.01368	2.4
85.02954	6.0
87.00869	7.8
89.02436	34.6
89.02958	1.9
97.02933	1.9
101.02438	32.7
113.02438	19.6
119.03487	9.6
125.02428	11.2
131.03476	4.5
133.05022	1.2
135.77745	1.0
143.03522	2.5
161.04526	12.2
179.05624	5.5
221.06659	5.9
235.08241	4.8
253.09340	4.4
277.21719	26.1
373.08505	1.3
383.12469	1.2
397.13385	7.2
415.14700	4.4
559.18890	54.9
577.20050	15.0
652.23993	1.6
675.35754	2.1
837.41388	100.0
857.13782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	5.2
89.02433	6.0
89.50124	1.2
101.02415	5.5
113.02427	4.0
119.03465	1.4
129.11961	1.1
143.03528	1.3
177.12851	8.0
195.13933	29.3
221.06618	1.8
229.14461	1.0
277.19003	1.7
277.21753	33.6
301.73788	1.7
355.54086	1.1
446.23752	1.2
773.06134	1.4
897.48547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4861
Annotation	AM 6222B
Peak:m/z	Relative Intensity
67.27142	0.6
71.01390	5.8
73.02895	0.6
76.02261	0.5
77.73801	0.6
83.01366	1.1
87.00871	1.3
89.02442	8.8
92.22484	0.7
97.02995	0.7
101.02441	7.7
105.46947	0.7
109.42891	0.6
113.02425	4.4
119.03458	1.4
125.02431	0.8
177.12863	6.2
195.13919	62.1
197.67998	0.6
198.56015	0.7
221.06665	2.9
221.11804	0.8
239.12828	3.0
277.21738	16.0
378.13498	0.7
897.48608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92541	0.8
71.01384	22.9
73.02949	1.0
78.95864	0.9
81.76063	0.9
83.01401	1.1
85.02950	1.7
87.00856	5.6
89.02441	35.5
95.01395	1.6
98.59541	1.1
101.02424	15.6
113.02431	14.8
113.09758	1.2
119.03487	12.8
131.03513	1.5
143.03526	1.7
152.99590	1.4
161.04527	2.1
161.94759	1.1
167.10803	1.1
179.05615	8.1
179.10796	1.8
202.91322	1.0
225.38353	1.1
279.23312	86.3
293.21310	21.8
293.24777	1.9
313.93845	1.2
323.09839	15.1
341.10928	21.9
583.98706	1.2
603.33966	100.0
787.43579	1.4
893.51776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30865	0.5
83.05050	0.6
94.27213	0.4
94.51176	0.5
111.87527	0.5
122.29189	0.5
162.02219	0.4
179.61789	0.4
205.19594	0.6
218.53940	0.6
233.64613	0.5
259.24237	4.5
285.22482	0.5
303.23318	100.0
334.15665	0.6
394.64420	0.5
858.66534	0.6
902.93982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
87.90156	0.5
92.22546	0.5
117.03468	2.5
124.53275	0.5
134.02730	1.4
134.03740	38.2
137.02495	0.6
149.06085	9.2
155.03502	3.6
160.04048	0.7
173.04585	3.2
191.05649	3.3
193.05077	100.0
280.06097	0.6
294.03979	0.7
308.05667	9.1
309.06445	8.2
324.08810	88.0
367.10388	53.8
368.07684	5.5
530.13092	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04025	1.5
64.94357	1.5
71.01372	1.7
72.99290	1.4
76.21096	1.3
101.02405	1.4
102.25362	1.4
103.12990	1.5
105.45932	1.5
116.13043	1.3
146.29648	1.4
149.02408	2.7
151.03978	2.8
163.03998	2.4
164.04832	14.1
175.00333	6.8
182.69302	1.4
190.01012	2.4
190.02727	60.2
205.05060	79.4
209.04468	2.4
215.67055	1.5
223.06107	12.9
251.05730	2.1
271.74463	1.5
412.61902	1.7
751.25977	10.0
811.28253	100.0
899.27875	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.6
72.12314	1.1
96.96019	1.2
101.02431	1.1
105.01957	1.0
105.22865	1.3
109.03743	1.1
147.00821	1.4
149.02414	5.3
157.74686	1.3
163.03958	2.8
164.04822	17.5
165.46271	1.2
175.00397	8.4
179.07254	1.4
190.02739	71.4
191.03435	2.0
196.21539	1.1
205.05078	95.7
207.02965	1.3
208.03745	1.7
209.04585	2.6
212.75565	1.3
223.06157	12.0
251.05704	1.5
289.86676	1.1
314.79852	1.1
323.73926	1.3
374.45334	1.4
751.25537	2.8
786.71716	1.3
811.28265	38.4
899.29767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51818	0.3
72.99303	25.0
94.73225	0.4
97.01730	0.4
108.11615	0.3
123.04494	4.9
135.04543	6.2
151.04008	0.6
153.05672	0.5
179.03500	32.0
197.04568	100.0
215.05667	0.6
216.61195	0.3
284.37991	0.4
348.32993	0.4
359.09885	82.9
362.44745	0.4
362.48843	0.4
899.30750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83911	0.4
72.99303	24.6
73.95799	0.3
78.78966	0.5
86.06381	0.5
86.74443	0.5
101.70185	0.4
123.04521	4.3
135.04521	6.4
142.58548	0.6
179.03510	30.9
197.04570	100.0
198.73143	0.5
246.11812	0.5
281.52518	0.5
316.78357	0.5
357.57568	0.6
359.09879	75.0
365.84305	0.5
538.58838	0.5
577.02814	0.5
863.58289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88947	0.6
71.01357	0.8
72.99317	1.2
85.02946	0.6
87.00877	8.8
99.00867	0.6
101.02443	0.9
108.72232	0.5
111.00897	0.6
130.53639	0.6
132.00928	0.6
137.02502	0.8
139.18048	0.5
147.04514	0.9
149.02422	5.6
150.03224	1.4
151.04042	0.8
152.01158	0.6
157.36891	0.6
164.04802	21.9
165.01898	5.0
175.04074	0.8
179.03491	3.7
179.07135	6.5
180.04309	12.6
190.02748	2.9
191.03569	0.6
191.05551	1.0
193.01360	0.9
194.02191	0.8
194.05782	1.0
195.06644	41.5
197.04585	1.4
197.11765	2.1
205.05070	9.5
208.03793	19.5
209.04556	4.1
210.05408	7.2
223.06139	55.0
225.07719	14.9
241.10820	2.3
342.11139	0.8
401.12549	3.9
449.14227	0.8
537.16248	1.3
811.29999	1.4
899.31989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01438	0.7
73.04058	3.1
78.95908	1.0
95.02502	3.2
99.01988	0.9
102.05595	8.9
102.13179	0.9
113.03551	1.0
114.05616	1.1
116.05050	1.7
128.03534	28.4
130.06218	2.9
130.08727	4.8
134.76358	0.8
140.07187	1.7
142.06586	1.1
146.04588	12.1
152.04655	1.6
152.99577	1.9
153.43246	0.7
154.05107	4.4
156.04150	3.2
160.17470	0.8
171.07715	6.5
171.15030	0.9
184.10933	1.4
200.43019	0.8
215.14030	1.5
223.12111	2.7
225.16037	1.4
228.09912	3.6
238.00687	0.9
241.13124	8.9
243.17047	1.0
259.12039	1.8
284.23288	1.2
285.12006	5.2
328.22205	3.1
357.15604	3.1
385.24683	6.5
392.35822	1.0
414.17886	1.8
442.26920	1.1
449.23209	1.3
597.91547	1.1
693.19678	0.9
899.43170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56429	0.9
66.20285	0.9
71.01377	24.5
73.02933	4.6
83.01385	1.5
85.02958	2.3
87.00865	9.9
89.02435	37.0
96.21370	1.2
99.00851	1.1
101.02449	30.7
103.90462	1.1
105.22779	1.0
111.00894	1.4
113.02424	18.9
119.03499	9.2
123.59669	1.1
125.02426	7.0
131.03516	5.7
143.03502	5.1
161.04570	7.8
179.05634	6.9
193.36902	1.0
194.96266	1.0
219.38583	1.1
221.06694	9.1
234.37968	1.1
235.08234	4.9
242.11311	1.1
279.23361	29.8
383.11893	2.1
397.13736	3.3
410.87411	1.2
501.45462	1.1
559.18872	72.1
577.19836	18.1
587.66156	1.1
609.76868	1.1
676.09357	1.3
839.42926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27187	0.9
70.24357	0.8
71.01383	23.6
73.02947	5.6
77.46294	1.0
83.01403	1.6
85.02953	4.0
87.00867	9.1
89.01894	1.4
89.02436	37.0
89.02962	1.7
91.04045	0.9
97.02944	3.9
101.02439	34.9
102.72076	1.1
104.18037	0.9
113.02442	16.3
115.84257	0.9
116.23592	1.0
119.03500	6.9
125.02443	6.6
131.03505	2.3
139.03979	1.1
143.03520	5.4
161.04578	7.4
166.98911	0.8
179.05592	5.4
203.05589	1.8
221.06697	9.7
235.08276	5.0
253.09369	1.5
253.57840	1.1
279.23312	31.0
279.26132	1.8
298.84494	0.9
383.12051	1.9
397.13376	1.8
415.14725	1.0
545.17975	1.1
559.18878	69.2
577.20099	14.8
839.42889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68387	0.4
78.95895	19.8
96.96951	2.8
102.26331	0.4
134.34355	0.5
150.98087	0.6
152.99579	100.0
171.00633	3.5
292.91357	0.5
295.22891	0.8
449.23163	59.8
487.25757	0.7
592.31067	0.6
835.94135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58654	0.5
70.47494	0.6
71.01375	16.0
73.02941	3.5
74.08286	0.6
75.00866	0.6
83.01382	2.8
85.02948	2.7
87.00864	21.8
89.02438	18.3
92.33726	0.5
95.01414	1.1
101.02439	12.1
113.02448	14.4
115.04005	0.7
119.03466	5.2
125.02452	0.8
129.01970	0.9
131.03474	1.3
141.01949	1.4
143.03476	1.3
149.04538	1.4
161.04552	3.4
171.10252	1.2
173.10899	0.7
179.05605	4.2
214.67786	0.6
226.09337	0.6
257.22931	0.9
275.23785	2.4
277.21753	4.4
279.23315	67.9
293.24896	20.7
295.22729	8.6
303.23401	1.4
321.24420	5.4
323.09885	13.1
341.10904	25.0
341.14822	1.3
551.78088	0.7
601.19983	0.7
603.33972	100.0
781.43097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
76.12493	0.2
89.71875	0.2
97.02956	0.2
120.66759	0.2
209.48373	0.2
222.55348	0.2
233.22702	0.3
259.20764	0.4
275.20068	0.2
277.21747	100.0
375.25534	0.3
508.04416	0.2
529.23181	0.2
560.10846	0.2
621.36084	0.2
892.59100	0.2
899.58167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36365	0.7
70.44760	0.6
72.99309	29.3
78.95895	1.1
81.10986	0.7
96.96004	4.0
123.04513	18.6
135.04535	11.5
150.03249	1.3
151.04050	3.2
161.92873	0.8
164.04852	1.1
167.73206	0.8
170.92508	0.9
176.01196	1.6
179.03513	32.0
190.02690	3.3
191.03532	20.2
194.02176	1.0
197.04575	48.6
205.05074	12.3
209.04555	3.5
211.06189	6.8
223.06163	1.2
263.49142	0.8
353.08905	4.2
359.09607	1.0
367.10373	3.8
565.15717	100.0
685.71478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	23.6
73.02962	6.0
74.20721	5.5
87.00875	10.0
89.02419	41.6
91.71455	4.7
92.82725	4.6
101.02435	10.9
102.02835	5.1
109.79340	5.3
113.02413	9.3
119.03497	6.1
133.21268	5.5
197.75104	5.9
214.32979	5.4
278.22015	11.4
289.80972	6.0
430.39389	6.0
508.35052	6.3
560.19482	24.8
561.19415	28.6
562.19733	22.1
593.69489	6.3
839.42065	11.2
840.42511	100.0
864.78491	6.3
900.40759	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32663	0.5
65.18498	0.4
71.07466	0.4
73.04069	3.6
82.79736	0.5
83.16570	0.6
92.22533	0.5
95.02503	2.2
102.04981	0.9
102.05602	12.1
112.05155	0.5
115.08753	0.8
128.03539	35.3
130.06204	5.4
130.08746	3.8
139.08775	0.8
140.07181	2.7
142.06599	2.1
146.03426	0.7
146.04581	15.1
152.04660	2.0
155.08232	3.6
169.09900	0.8
171.15063	2.1
172.10907	6.4
186.12500	0.7
208.13515	0.6
211.12016	3.5
215.14008	2.3
229.13086	8.7
242.18658	0.7
242.66740	0.5
243.14661	0.9
243.17058	1.1
256.20355	2.0
259.12061	0.8
268.14200	6.9
282.18011	0.8
284.23508	1.0
286.15210	19.9
300.19315	0.8
301.16641	2.3
313.22513	2.2
325.22522	0.7
328.22342	4.6
358.18912	4.1
385.24524	6.3
415.21045	3.0
469.31467	1.2
487.24857	0.5
771.41595	2.7
900.46356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33310	0.1
70.50871	0.1
82.87038	0.1
85.02940	0.9
87.00880	0.2
93.03426	0.5
95.24644	0.1
102.37608	0.1
111.04533	0.2
121.11263	0.1
127.04033	0.2
133.03024	0.1
135.04523	0.5
136.75562	0.1
139.19276	0.1
142.47194	0.1
145.87492	0.1
161.02451	1.7
173.04538	0.2
179.03395	0.8
191.05626	100.0
199.02573	0.1
217.03491	0.2
353.08813	28.2
409.46921	0.2
464.65836	0.1
512.31384	0.1
532.89624	0.1
857.24292	0.2
897.30127	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.7
83.05002	0.7
84.54498	0.6
87.79769	0.6
88.86105	0.6
93.03434	8.4
93.55991	0.6
98.06492	0.6
98.07103	0.7
103.10994	0.7
111.04517	6.8
127.03992	10.1
135.04520	35.0
137.02458	7.1
155.03493	14.4
161.02490	5.1
163.03969	0.6
173.04547	100.0
176.03539	4.0
179.03500	75.4
191.05618	42.9
191.07375	0.9
199.02454	7.7
211.96558	0.8
217.03516	1.1
268.07623	0.7
353.08820	95.9
363.07373	3.3
382.07947	1.0
458.24002	0.7
901.27472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	18.2
80.36659	0.6
101.02416	0.5
123.04523	5.3
135.04517	7.7
138.03200	1.1
153.05540	0.7
179.01920	1.0
179.03497	27.7
179.05005	1.1
182.02185	5.5
197.04572	100.0
266.55273	0.5
281.12259	0.8
327.66296	0.5
359.09903	67.3
360.10199	0.7
443.17755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40885	0.5
72.99303	42.6
89.02403	0.7
101.02420	0.6
111.64145	0.5
121.98163	0.6
123.04508	10.4
135.04514	12.6
149.89899	0.5
151.04027	1.2
153.05634	0.7
179.03506	47.9
189.12833	0.5
191.05711	0.6
197.04565	100.0
239.12935	0.7
264.82129	0.6
305.13965	7.8
331.15579	6.0
359.09882	2.0
444.65268	0.6
481.17181	0.9
579.21198	0.9
901.35077	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85416	1.1
71.01375	25.1
72.99264	1.4
73.02932	2.8
83.01372	2.2
85.02956	2.1
87.00861	7.2
88.08359	1.3
89.02430	38.0
92.23108	2.1
95.00296	1.1
97.02949	1.5
101.02440	29.0
113.02419	17.4
119.03504	8.8
125.02409	8.6
125.67358	1.3
130.57666	1.2
131.03479	6.8
143.03435	2.1
161.04582	8.0
173.17078	1.4
179.05563	5.5
185.37685	1.3
221.06635	8.3
235.08212	3.2
253.09265	2.1
281.24890	34.3
338.25943	1.6
346.26154	1.3
559.18823	58.2
577.20099	14.1
631.62073	1.6
785.34845	1.7
841.44440	100.0
901.46881	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.1
75.07418	0.5
83.01420	0.6
85.02931	0.6
87.00885	1.1
89.02415	5.9
99.00875	23.5
101.02432	5.8
113.02422	2.8
119.03455	1.0
125.09726	5.7
143.03470	0.9
145.10362	0.8
161.04500	0.6
163.11310	3.9
181.12341	8.4
197.11909	0.7
199.13432	3.1
207.10271	18.5
221.06665	0.9
225.11348	32.7
243.12370	16.3
277.21722	21.2
279.23349	10.7
397.39981	0.6
461.26688	5.8
474.26022	0.8
515.41913	0.7
623.25531	0.8
641.26416	1.0
901.48132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	5.1
73.02952	2.4
76.61339	1.6
85.02959	2.1
87.00879	2.2
89.02441	9.0
91.11617	1.4
97.02940	1.5
97.61046	1.7
99.00898	11.9
101.02448	8.6
113.02420	3.2
119.03522	1.8
125.02396	5.9
125.09709	2.8
163.11305	2.0
181.12341	10.4
199.13574	2.0
207.10297	31.7
225.00873	2.0
225.11336	73.0
235.08394	1.9
243.12375	25.9
277.21738	30.5
277.58884	1.6
283.30588	1.8
309.36060	1.6
317.15942	1.9
506.37439	1.6
605.24487	19.9
623.25214	14.4
841.43658	2.9
883.47064	100.0
901.48267	11.6
909.82965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22163	0.6
68.38966	0.5
71.01376	4.2
74.13981	0.6
75.80161	0.7
75.92376	0.5
79.95710	0.5
82.89486	0.5
85.02959	0.6
85.38114	0.5
87.00900	0.7
89.02427	4.2
95.78448	0.6
99.00878	14.2
101.02444	4.5
113.02451	2.6
119.03508	0.6
125.09710	3.2
129.54301	0.6
142.16798	0.6
157.07878	0.6
161.04523	0.9
161.12044	0.6
163.11272	3.3
181.12337	9.9
198.12086	0.9
199.13443	6.0
207.10295	12.1
221.06644	3.9
225.11334	39.5
243.12370	31.8
277.21704	10.7
316.27704	0.7
321.57544	0.6
382.84778	0.6
877.04889	0.9
883.47217	0.9
901.48071	100.0
916.20563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
99.04531	0.8
135.66901	0.7
149.44897	0.8
152.99576	3.3
153.12837	3.4
179.10777	5.3
197.11903	3.6
208.00415	0.8
265.27420	0.8
275.16589	8.2
293.17679	9.4
333.24423	3.2
377.23380	100.0
440.32462	1.1
683.65887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	13.8
72.05486	9.2
77.52967	8.4
82.63419	9.1
89.02443	37.8
113.02451	10.6
119.72718	9.5
132.86064	8.5
152.99619	19.7
269.61597	10.2
339.84473	9.3
473.60220	9.6
561.19562	16.2
562.19470	13.9
842.44159	100.0
902.42084	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.424
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69994	2.9
71.01376	15.8
85.02924	3.8
87.00894	5.1
88.08858	3.1
89.02432	21.8
97.58264	3.5
98.35589	3.8
101.02429	20.3
113.02448	8.2
161.04579	7.5
234.50153	5.0
234.80481	4.7
256.18463	3.6
268.46649	4.3
279.23242	14.0
280.23734	10.9
281.23776	3.6
310.50876	4.1
355.11099	3.6
377.27808	3.0
559.19366	3.6
560.18903	13.4
561.19446	7.4
562.19525	8.1
840.43927	4.2
841.43250	7.2
842.43976	100.0
902.42371	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82172	0.4
71.01379	2.5
73.02997	0.5
85.02945	1.1
93.03440	4.3
101.02446	0.6
102.38589	0.4
111.04482	1.8
115.03951	0.5
127.03994	0.5
135.02982	1.8
135.04530	15.9
137.02441	2.7
147.04518	0.5
155.03506	3.8
161.02419	2.3
173.04550	93.6
179.01207	0.7
179.03505	42.8
191.05627	51.8
205.05011	5.3
210.07388	0.5
233.08173	6.7
245.06584	0.7
277.07303	0.8
353.08820	12.7
451.12527	100.0
903.26843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82172	0.4
71.01379	2.5
73.02997	0.5
85.02945	1.1
93.03440	4.3
101.02446	0.6
102.38589	0.4
111.04482	1.8
115.03951	0.5
127.03994	0.5
135.02982	1.8
135.04530	15.9
137.02441	2.7
147.04518	0.5
155.03506	3.8
161.02419	2.3
173.04550	93.6
179.01207	0.7
179.03505	42.8
191.05627	51.8
205.05011	5.3
210.07388	0.5
233.08173	6.7
245.06584	0.7
277.07303	0.8
353.08820	12.7
451.12527	100.0
903.26843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	1.7
68.36749	0.3
71.01359	0.5
73.89304	0.3
83.52026	0.3
85.02968	0.4
87.00883	4.6
93.03450	20.0
100.08320	0.4
101.07272	0.4
111.04504	4.0
113.02421	0.5
115.04034	0.5
129.01947	0.7
134.03728	2.5
149.06119	0.5
155.03506	0.9
173.04547	10.5
173.68698	0.4
175.03975	0.5
191.05627	100.0
193.05070	6.5
226.87767	0.4
239.88895	0.3
347.35068	0.4
367.10361	61.0
508.89450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.294
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85626	0.4
69.87898	0.5
72.99306	48.7
79.27268	0.5
109.02957	1.1
119.84837	0.5
123.04518	26.8
125.26714	0.6
134.03763	2.2
135.04535	29.6
139.86046	0.6
149.02441	2.1
150.03241	1.1
151.03992	2.4
164.04785	4.5
165.05566	3.0
176.01077	0.6
179.03506	43.7
179.07033	0.9
185.22702	0.6
191.03520	8.0
194.02304	1.0
197.04568	48.5
205.05104	0.7
208.03754	1.0
209.04594	7.3
211.06161	2.1
223.06172	4.0
232.47641	0.6
320.95554	0.6
320.99475	0.6
327.21750	0.8
341.08920	0.8
349.09131	1.0
413.46173	0.6
595.64081	0.7
663.19409	3.6
691.22919	1.2
862.35193	0.7
897.33551	0.6
903.29364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31775	1.3
71.01360	1.6
72.99271	2.4
89.02405	2.4
92.23151	2.7
95.60036	1.4
101.02360	1.9
113.02348	1.6
134.03629	6.7
164.04668	1.7
176.10733	1.5
191.03482	2.1
191.05502	6.9
192.05774	1.7
193.04930	7.6
205.04932	5.9
223.06029	3.2
271.62451	1.4
300.09763	1.7
315.08737	10.1
330.10907	3.1
331.11542	2.4
341.13861	3.1
341.21115	2.2
343.18948	5.1
344.19553	2.1
361.12634	9.1
368.16159	1.5
383.18680	15.9
384.19528	26.5
385.19971	3.3
399.21259	3.2
415.21075	2.7
416.21802	2.9
420.23914	1.7
469.17261	13.0
643.20142	1.8
741.33777	27.2
755.26892	5.9
808.47668	1.8
903.29694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87151	0.5
65.91915	0.6
85.02921	2.0
103.00369	65.1
103.04018	8.5
103.27003	0.8
115.04020	1.1
133.05063	100.0
152.75879	0.7
175.04605	0.8
175.06122	23.8
219.05107	10.1
335.08163	0.7
400.12390	2.6
506.65497	0.8
537.19373	0.7
712.30609	0.7
751.25751	0.8
760.34143	0.8
842.59033	0.8
916.74091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59939	0.8
72.99301	1.4
99.48569	1.0
105.99389	0.9
113.02419	1.0
133.24606	1.0
135.04520	1.2
137.02405	2.2
151.03990	1.0
165.00610	1.7
165.01927	36.0
166.02660	1.5
176.04680	0.9
179.03491	15.5
180.04279	49.0
181.05069	28.3
182.05789	1.3
190.13608	1.0
194.05806	4.8
195.02921	1.6
195.06641	40.4
196.05679	1.8
196.07423	51.6
196.09221	1.8
197.04468	1.7
197.08261	1.1
210.05342	14.2
211.09761	18.6
225.07672	9.8
329.06412	0.9
435.14288	0.9
601.22974	1.4
677.24677	4.7
779.29138	5.9
855.31012	5.8
859.39081	1.3
871.30615	1.2
903.32880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.5
85.31760	0.9
95.82010	1.0
108.51753	1.0
109.70838	1.1
114.36381	1.1
146.12886	0.9
147.77884	1.0
149.02428	2.1
164.04802	16.3
179.07118	16.3
190.02693	13.3
205.05043	25.8
221.08127	1.6
223.06154	10.6
265.07202	2.3
292.53372	1.0
297.09808	22.1
311.07938	1.7
327.21341	1.1
527.00665	1.1
561.39038	1.2
769.27228	100.0
859.41125	1.9
903.35242	2.3
903.39850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	28.9
73.02898	0.8
101.02453	0.7
113.02435	0.7
115.00387	4.2
123.04530	6.9
133.01428	9.3
135.04520	9.9
150.03154	0.8
151.04019	2.7
161.04578	0.7
165.05466	1.0
179.03511	36.2
197.04573	79.4
226.16074	0.6
239.02084	0.6
243.13901	1.2
261.14883	0.7
305.14026	9.8
308.29718	0.6
331.15591	10.2
341.08679	0.9
359.10034	0.6
380.02380	0.5
413.22049	0.6
583.22034	1.0
798.97406	0.6
846.36462	0.6
903.36713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.1
69.03459	0.3
71.01382	0.8
73.33120	0.2
82.81535	0.2
85.02946	0.4
87.00861	4.8
89.02467	0.2
93.03452	21.3
96.93147	0.2
99.00861	0.4
99.04533	0.2
101.02450	0.3
111.04518	4.1
113.02450	0.3
124.68020	0.2
124.73807	0.2
127.03962	0.2
129.01904	0.5
134.03749	2.4
134.74596	0.2
138.49675	0.2
143.03506	0.3
149.06065	0.4
155.03528	0.5
159.32199	0.2
173.04553	12.0
175.03954	0.8
188.03523	1.4
191.05632	100.0
193.05049	7.0
214.66313	0.2
367.10370	62.0
448.14008	2.5
863.23840	0.2
903.39923	0.4
938.89160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17340	3.2
71.01389	17.3
71.77653	3.2
81.55839	3.9
89.02431	33.8
97.02962	3.7
101.02428	26.5
113.02429	16.9
119.03526	4.5
139.28542	3.5
152.15741	3.8
221.06807	5.6
235.08134	5.4
283.26404	23.9
288.05499	3.6
322.21616	3.5
385.96490	3.8
472.74283	3.9
559.19116	47.7
817.82880	4.4
843.45874	100.0
890.58435	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.6214
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25731	0.1
64.96783	0.1
70.72155	0.2
71.15433	0.1
72.47231	0.1
74.58754	0.2
82.50271	0.1
92.22525	0.2
97.02928	0.2
124.71297	0.2
129.50084	0.2
136.64087	0.1
140.64462	0.1
141.67749	0.2
165.48271	0.2
229.51688	0.2
261.22397	0.3
279.23315	100.0
343.14157	0.3
377.26971	0.4
409.73285	0.2
526.33191	0.2
623.38818	0.2
637.27545	0.2
787.42480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08808	0.2
78.95898	28.2
96.96958	2.7
123.33173	0.2
148.56273	0.2
150.98076	1.3
151.28908	0.2
152.99580	100.0
171.00603	2.9
209.00391	0.2
255.23279	3.2
330.68378	0.2
402.46179	0.2
409.23630	59.1
465.47791	0.2
478.67407	0.2
650.62958	0.2
656.38025	0.2
904.57031	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17051	0.5
78.95900	27.8
96.96956	2.4
131.31310	0.5
152.99580	100.0
171.00592	2.3
255.23285	3.1
258.70749	0.5
409.23633	56.8
409.54660	0.5
616.76428	0.7
904.56958	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67716	0.5
67.01895	0.4
72.87590	0.5
85.02957	1.0
93.03452	10.7
95.75774	0.5
101.72214	0.5
111.04520	3.6
127.04043	0.6
133.02979	0.6
134.03752	0.6
135.03479	1.2
135.04518	36.7
137.02429	4.8
155.03499	7.6
161.02426	4.3
173.04543	97.9
179.03497	70.9
191.05626	53.2
199.02469	0.7
269.13773	0.5
353.08807	100.0
366.11954	0.6
598.42767	0.7
905.27277	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67716	0.5
67.01895	0.4
72.87590	0.5
85.02957	1.0
93.03452	10.7
95.75774	0.5
101.72214	0.5
111.04520	3.6
127.04043	0.6
133.02979	0.6
134.03752	0.6
135.03479	1.2
135.04518	36.7
137.02429	4.8
155.03499	7.6
161.02426	4.3
173.04543	97.9
179.03497	70.9
191.05626	53.2
199.02469	0.7
269.13773	0.5
353.08807	100.0
366.11954	0.6
598.42767	0.7
905.27277	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	1.6
79.95737	0.9
81.78935	0.4
92.40127	0.4
94.98089	3.6
94.98591	0.4
96.96001	100.0
96.96888	4.3
131.76649	0.4
166.38066	0.5
169.04141	0.4
179.03317	0.5
214.17807	0.4
517.66077	0.5
905.34747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32098	0.3
69.12013	0.3
78.95908	2.6
79.95737	0.9
91.36023	0.3
94.98076	2.0
96.96005	100.0
96.96901	6.1
136.95639	0.3
223.73752	0.4
247.24571	0.4
252.87637	0.4
504.69730	0.4
537.75909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98779	0.3
71.01387	2.7
72.95980	0.3
75.38612	0.3
85.02940	1.6
89.02454	3.4
101.02434	2.5
113.02407	0.7
118.30443	0.4
119.03477	1.6
126.16543	0.4
137.06111	0.3
144.84142	0.3
149.02405	3.1
151.06085	2.9
152.01164	0.4
155.72298	0.3
163.03964	0.6
164.04784	17.3
175.00313	0.6
179.07156	5.4
190.02742	17.8
191.03737	1.1
191.05609	11.6
205.05069	56.2
206.05820	1.6
208.03787	10.7
209.04791	0.4
221.08235	4.6
223.06126	43.3
237.07672	2.9
250.04793	0.7
265.07162	13.3
265.56876	0.4
295.08057	1.3
297.23990	0.4
306.58936	0.3
325.09305	2.3
353.08762	3.3
385.11554	6.4
452.25174	0.4
519.17249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
73.57729	0.4
79.76283	0.3
97.00488	0.3
143.93770	0.3
183.13908	3.2
209.15477	49.4
211.13412	75.9
227.16470	0.5
238.91341	0.4
253.14487	1.8
268.03833	2.2
271.15543	100.0
283.06186	7.0
490.63348	0.4
579.65515	0.4
905.34967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09902	1.0
69.37630	0.9
82.52801	0.9
87.12188	1.1
93.27435	1.0
120.31410	0.9
123.16196	1.1
153.23430	1.1
167.14413	13.6
176.39674	1.1
211.13405	28.4
216.25270	1.0
229.14456	100.0
283.06155	1.5
545.09039	1.3
616.39557	1.2
636.26520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49581	0.5
69.15987	0.5
73.84404	0.5
97.02940	2.5
104.26917	0.5
111.27622	0.5
116.98583	0.5
136.02773	0.5
160.34801	0.6
171.08868	1.1
171.10272	27.5
183.10283	5.0
195.13892	0.7
212.69022	0.5
249.18605	22.3
250.38750	0.7
277.21738	44.1
278.22382	0.7
295.22806	100.0
347.22330	1.0
359.13531	1.3
375.44363	0.5
609.62823	0.6
678.83698	0.7
742.20374	0.6
905.49744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27647	0.2
77.23868	0.2
78.95901	5.1
140.01192	3.5
152.99596	2.7
196.03836	8.8
214.04845	1.4
224.86261	0.2
255.23323	100.0
389.89822	0.2
409.23660	0.8
410.23996	0.3
452.27902	60.2
905.49176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77596	0.2
70.53974	0.3
71.01366	5.0
72.99308	1.1
79.49621	0.3
89.02391	0.7
115.00359	24.3
119.66235	0.3
133.01422	100.0
227.51543	0.3
254.30179	0.3
310.10898	0.5
314.01700	0.3
325.13263	3.6
340.15466	3.4
474.17755	4.8
786.57861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58821	0.4
72.99306	1.7
77.54909	0.3
80.08134	0.4
95.11546	0.4
123.04482	0.4
124.57908	0.4
128.47189	0.4
158.99535	0.4
179.03484	2.5
190.99879	3.0
197.04529	4.5
205.01476	0.5
205.16992	0.5
205.98560	2.9
206.02124	0.7
206.99361	26.3
208.00128	4.8
209.04576	0.5
221.00919	17.9
221.04553	2.3
222.01706	73.1
223.02475	20.4
265.03610	0.5
300.82349	0.4
357.48816	0.4
359.09933	4.1
369.04636	18.3
370.05429	17.7
370.08942	0.5
384.07034	12.2
385.07819	50.8
431.96375	0.4
522.24548	0.5
547.13141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16431	0.3
71.01383	1.4
83.70134	0.3
85.02955	1.8
89.02434	1.4
92.22393	0.3
94.78150	0.3
95.72169	0.3
101.02460	1.2
102.71892	0.4
113.02445	100.0
113.15207	0.3
119.05038	0.4
120.73098	0.3
137.02429	0.6
137.56802	0.3
145.02962	8.4
163.03996	1.7
164.04811	1.7
176.01230	0.5
179.07179	1.2
190.02760	2.9
191.03534	3.1
202.61803	0.3
205.05066	11.4
206.05884	2.1
208.03793	0.5
221.08235	4.6
223.06107	8.5
237.07784	1.8
250.04681	0.4
265.07169	11.8
295.08325	1.1
307.08340	3.2
325.09372	1.6
421.11481	18.7
485.16736	29.5
541.97076	0.3
907.29218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.8
71.01378	2.3
80.19572	0.3
83.05038	0.4
86.28770	0.4
86.73164	0.3
87.21959	0.4
93.03442	14.6
99.00854	1.5
109.02921	0.4
111.00897	0.5
111.04504	4.2
113.02479	0.5
134.02840	0.4
134.03748	3.3
137.02444	4.4
149.06111	4.0
155.03473	4.8
165.76431	0.4
169.19051	0.4
173.04543	100.0
178.02699	2.0
189.69691	0.3
191.05676	0.7
193.05058	20.6
232.34435	0.4
293.00787	0.4
321.64703	0.4
447.15103	3.0
529.15674	53.6
533.37769	0.4
825.21387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41435	0.5
71.01379	5.5
72.99310	9.0
78.38189	0.6
78.74148	0.6
85.02943	3.4
87.00866	0.9
88.94365	0.6
89.02446	5.7
96.95972	0.7
97.02969	1.0
99.00848	1.0
101.02425	4.3
113.02438	7.2
119.03521	1.4
121.02907	1.2
134.03699	1.4
135.04539	0.7
137.06062	0.9
138.10793	0.6
147.47510	0.6
149.02428	18.8
149.06046	3.9
152.04819	2.7
153.01921	0.8
163.04004	1.2
164.04790	100.0
165.01820	1.0
166.02702	5.6
167.07092	3.7
177.05504	3.7
178.06343	2.6
179.03729	1.4
179.07135	66.2
180.04318	3.0
183.06612	4.4
190.02760	6.4
191.05582	0.8
194.05846	0.8
195.06648	5.4
197.04433	2.1
205.05072	8.6
208.03758	4.1
217.08737	3.3
222.05330	10.7
223.06110	11.4
237.07684	4.2
272.70203	0.7
329.12454	3.7
381.61172	0.8
419.17133	1.0
425.14487	1.2
443.15625	65.9
463.16165	94.3
667.22522	9.9
781.28186	0.8
793.77216	0.7
907.32184	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.7
69.03468	0.3
69.04121	0.2
71.01373	0.5
76.31133	0.2
85.02939	1.0
87.00869	5.4
88.45403	0.2
92.23040	0.2
93.03448	20.8
99.00870	0.2
103.91824	0.2
111.04508	4.8
113.02416	0.4
115.04041	0.2
127.03967	0.3
129.01924	1.2
134.03712	2.4
143.03557	0.3
149.06090	0.3
155.03496	1.2
173.04541	11.1
175.04031	1.0
190.83087	0.2
191.05618	100.0
193.05055	7.0
225.70125	0.2
337.09296	0.3
367.10352	61.9
907.30695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	1.7
71.01369	1.4
79.00682	0.3
81.03465	0.5
85.02955	0.4
87.00871	5.8
93.03449	22.3
99.00899	0.4
108.55205	0.4
111.04504	4.8
113.02457	0.4
115.03883	0.4
129.01938	1.4
129.87239	0.3
134.03719	5.6
144.02296	0.3
149.06087	1.6
155.03470	1.4
159.10925	0.4
163.29243	0.3
173.04549	14.6
176.87135	0.3
191.05627	100.0
192.05959	0.8
193.05025	15.2
194.05374	0.5
250.57828	0.3
270.04672	0.4
367.10370	67.7
368.10748	1.8
369.10754	1.3
452.14185	0.3
491.47058	0.4
539.36371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.326
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02403	1.1
101.73959	0.9
120.09781	0.8
124.70691	0.9
149.02415	11.3
149.06071	1.2
163.03951	1.0
164.04794	73.5
166.02702	1.6
166.99529	0.9
177.05521	2.2
178.06346	3.6
179.07147	63.8
180.04268	2.1
181.04926	1.2
183.06607	2.3
195.06642	3.6
205.05095	6.6
210.05455	1.4
222.05345	9.4
222.45370	1.0
223.06137	9.2
225.07802	0.9
237.07732	4.2
264.03964	0.9
275.16525	1.2
337.16977	1.0
383.13501	1.8
419.17261	1.1
445.18500	1.0
463.16180	100.0
509.28500	1.2
519.75507	1.0
607.20410	8.8
847.30432	7.5
907.37677	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01913	0.7
71.01365	0.9
77.64126	0.6
84.45636	0.6
87.00871	3.4
93.03454	15.1
111.04490	5.4
113.02405	0.6
113.31982	0.6
117.03474	2.7
127.04008	0.6
129.01958	0.7
134.03741	34.6
149.06075	8.0
155.03522	3.9
173.04536	12.1
191.02028	0.8
191.05630	78.7
193.05067	96.6
196.62408	0.6
206.66103	0.7
227.74915	0.6
300.02744	0.7
333.34396	0.7
335.30939	0.6
367.10373	100.0
376.94296	0.8
518.72595	0.7
538.08856	0.7
644.75000	0.7
907.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83900	2.3
75.49783	2.6
78.49412	2.2
81.33495	2.5
84.67245	2.7
89.63908	2.3
113.09689	5.9
215.77681	2.5
225.00740	3.2
245.41925	2.5
293.21204	29.6
305.05951	3.1
343.83618	3.0
511.12189	3.1
526.15131	54.2
536.60101	3.0
598.18170	3.5
613.19055	20.1
830.37683	3.7
907.41168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95885	0.8
79.03764	0.3
99.02189	0.3
101.85291	0.4
112.45638	0.4
146.08379	0.4
152.99583	13.6
190.47699	0.4
199.51949	0.3
217.85271	0.4
220.01054	0.4
255.23317	100.0
279.56436	0.4
298.41251	0.4
300.71579	0.4
391.22610	47.5
762.55786	0.4
907.51019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6533
Annotation	Unknow
Peak:m/z	Relative Intensity
72.89530	0.4
74.94350	0.4
78.67921	0.4
90.85822	0.4
97.84686	0.4
103.46421	0.4
181.22011	0.5
186.89192	0.4
196.91164	0.5
281.24878	100.0
284.21506	0.5
339.36371	0.4
341.79187	0.5
564.27277	0.5
625.39496	0.7
872.33630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22968	0.3
73.02934	0.4
99.92583	4.4
114.93413	0.4
115.04006	0.4
116.92850	100.0
117.01923	3.5
142.68956	0.3
163.46953	0.3
205.05176	0.3
790.58215	0.5
908.34308	0.7
908.51184	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.6
80.72193	0.3
93.03448	0.5
107.05080	0.4
108.02155	0.4
111.00845	0.5
116.58348	0.4
120.39050	0.4
123.04517	50.9
137.06081	2.3
138.03157	0.5
166.02718	3.2
181.05072	100.0
193.05032	0.9
205.05229	0.4
225.04059	52.9
243.24754	0.4
354.20865	0.5
717.74359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76123	0.3
67.01884	0.7
71.01382	1.9
74.73737	0.3
81.03445	0.3
83.11743	0.4
93.03448	11.3
111.00880	0.4
111.04505	3.8
133.01411	0.4
134.03729	2.9
137.02422	3.8
149.06084	4.1
155.03529	4.1
166.80374	0.3
173.04539	100.0
178.02702	2.6
179.03412	0.5
193.05057	20.9
227.61668	0.4
355.10388	0.5
447.45407	0.4
510.30069	0.4
529.15656	51.0
615.78210	0.4
761.27576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46709	0.5
71.01362	1.5
93.03445	12.6
111.04509	4.0
134.03760	2.5
137.02458	5.7
149.06009	5.1
155.03471	4.1
161.59412	0.6
173.04541	100.0
178.02713	1.2
193.05067	21.9
221.42195	0.6
350.11484	0.7
366.74686	0.7
370.16083	0.9
371.16522	1.1
491.36444	0.7
529.15680	55.5
530.61279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	1.5
78.95925	1.2
84.08986	0.9
92.22536	1.0
101.02415	2.3
102.35445	1.0
109.79972	1.0
111.54028	1.2
113.02404	2.0
144.69043	1.1
146.00478	1.1
152.99603	5.1
161.04675	1.4
179.14418	1.2
183.13931	1.7
195.13908	13.1
199.13368	4.5
216.90118	1.4
243.15573	1.3
251.20129	7.8
263.11356	49.7
269.21231	100.0
277.21716	13.5
295.22815	60.4
297.24319	1.4
348.49432	1.4
393.26468	9.6
510.36636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.6066
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02973	9.8
70.96799	0.8
87.05622	1.0
96.00906	12.7
102.84240	0.6
113.03550	7.2
114.01957	26.2
128.99385	0.6
131.04614	15.3
134.63519	0.7
176.91782	0.8
208.78276	0.7
278.24887	13.3
293.21167	1.1
300.74326	0.7
304.26617	0.8
331.27509	1.4
342.59998	0.7
349.28574	0.9
375.26581	36.5
393.27615	100.0
496.00464	0.7
825.09644	0.9
909.50403	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	11.5
72.99691	0.6
88.68563	0.3
90.21696	0.3
92.23246	0.3
98.54509	0.3
118.10847	0.4
123.04504	2.2
135.04541	2.8
173.30400	0.3
179.03499	17.5
197.04568	100.0
215.05554	0.4
220.81404	0.4
265.29855	0.4
359.09879	61.0
550.19568	4.0
555.96210	0.4
607.16730	0.4
625.69958	0.4
719.20453	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	31.5
84.55714	0.3
96.67014	0.3
96.96954	2.8
102.20638	0.3
109.38308	0.3
140.01222	0.7
150.98027	1.4
152.99585	100.0
171.00615	3.3
183.44688	0.3
214.04932	0.5
215.09543	0.3
246.53180	0.3
279.23312	59.2
309.84262	0.3
388.28378	0.3
433.23642	62.8
476.27893	37.3
612.14917	0.4
700.38074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23552	0.5
78.95895	33.3
85.46946	0.7
96.96962	2.4
121.31986	0.6
140.01199	1.2
150.97955	0.9
152.99574	100.0
171.00624	2.8
196.03825	6.5
214.04968	0.6
279.23291	53.0
367.44177	0.7
389.32565	0.7
433.23611	62.7
476.27823	39.8
512.98993	0.6
577.72516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93576	0.3
67.01868	0.6
71.01368	1.4
75.99057	0.3
85.02932	0.3
87.00902	0.3
92.28610	0.3
93.03453	8.1
99.31009	0.3
99.46819	0.3
111.00854	0.4
111.04511	3.0
117.27583	0.3
119.05021	6.2
130.57706	0.3
136.10291	0.3
137.02426	3.7
155.03477	4.5
163.04010	20.3
173.04549	100.0
191.05640	1.3
337.09344	52.5
338.09592	0.6
410.22672	0.3
731.24756	0.3
735.12457	0.4
911.31543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.7
71.01364	0.5
72.92443	0.3
75.72844	0.3
85.02953	0.7
87.00876	5.5
89.74384	0.4
90.97164	0.4
91.39405	0.3
91.70943	0.3
92.23182	0.4
93.02863	0.7
93.03451	20.5
111.04515	5.0
112.65134	0.3
113.02487	0.4
127.94904	0.3
129.01945	0.7
134.03725	2.6
149.06041	0.5
155.03519	1.2
163.02031	0.3
173.04546	11.3
175.04048	0.4
178.14862	0.3
191.05624	100.0
193.05049	7.1
214.35597	0.3
363.17795	0.4
367.10364	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	6.3
72.72823	0.7
73.02926	1.4
73.40015	0.6
85.02950	1.5
87.46687	0.5
89.02435	1.1
89.54708	0.5
96.95976	0.7
99.00890	1.0
101.02441	6.1
102.27892	0.6
113.02446	3.4
128.09428	0.6
144.48178	0.6
149.02444	8.3
152.01134	3.3
156.46060	0.6
161.04530	3.3
163.03996	2.3
164.04787	47.2
166.02689	0.9
169.05051	1.1
176.16617	0.7
179.07133	33.1
180.04318	2.2
183.06693	0.8
193.01297	2.1
195.06612	1.2
207.03098	0.6
208.03781	54.5
222.05453	4.8
223.06123	72.8
237.07698	3.9
315.18301	4.5
447.22382	36.9
463.16147	100.0
703.27264	0.7
847.59601	0.8
894.91504	0.7
911.43170	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	20.3
73.02937	0.9
83.01388	1.0
83.05029	4.2
85.02934	3.5
87.00864	5.0
88.80315	0.8
89.01888	1.2
89.02437	32.2
92.22378	0.8
95.01395	0.9
96.06835	0.8
101.02446	14.6
113.02441	14.0
119.03478	11.1
120.60236	0.8
140.78877	0.8
143.03468	1.8
161.04514	1.8
179.05640	6.6
195.13881	1.2
223.17082	3.9
256.06812	0.7
277.21735	64.4
291.19702	35.6
291.23053	2.0
309.20779	11.5
319.22873	1.0
323.09854	13.3
341.10962	21.1
544.98907	0.8
601.32397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5752
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06256	0.5
89.82440	0.5
101.06119	4.8
105.91194	0.6
122.03754	0.7
171.23100	0.6
175.03967	0.8
249.18633	23.6
255.15996	7.9
267.19675	5.9
275.16501	10.7
277.21790	1.2
279.23380	5.2
293.17633	100.0
297.24329	4.2
298.20221	0.6
298.24445	0.6
311.18622	5.4
395.24463	8.2
397.24280	0.7
451.81372	0.6
455.15564	0.6
694.41162	0.7
911.49243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61240	1.1
72.99287	1.5
112.07696	1.4
121.02950	100.0
130.08691	2.4
148.87930	1.3
179.07004	1.3
225.16125	8.9
321.41220	1.5
338.24454	2.0
451.32526	1.7
481.17191	2.0
482.17639	3.0
790.58228	62.9
912.40393	2.3
912.61627	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13019	0.7
68.99803	5.4
71.01366	6.0
85.02933	0.9
89.02451	7.8
97.02964	0.8
101.02424	5.5
105.01931	9.6
113.02415	1.5
115.03974	7.6
119.03467	3.8
123.00894	1.4
125.02393	1.2
138.03203	9.4
139.04008	1.2
150.39911	0.8
153.01898	2.0
153.05571	21.7
165.01897	3.7
175.00314	1.1
176.01126	7.4
177.01895	1.0
178.02699	3.9
179.03506	1.1
180.04240	4.4
191.03542	11.1
191.37045	0.8
192.04367	7.9
193.01419	10.5
193.05070	7.9
195.06586	1.1
205.05066	1.1
207.06644	25.7
208.01877	1.7
208.03773	33.8
209.23042	0.8
223.06139	29.0
329.88071	0.9
338.11588	1.1
366.48660	0.9
615.88544	0.9
630.63916	1.0
755.25494	1.9
815.27704	39.4
853.28986	1.6
913.31335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	1.9
79.83812	0.5
85.02929	0.5
87.00891	0.6
89.02437	2.9
93.36037	0.5
96.80794	0.5
96.95983	2.3
99.00883	3.6
101.02429	0.6
113.02454	3.1
119.03501	0.6
121.02917	2.4
123.89279	0.6
134.02711	1.0
134.03737	29.1
134.76398	0.5
135.04463	0.7
137.02490	0.5
137.10602	0.6
143.03474	0.5
147.04626	0.8
149.02383	0.9
149.06082	15.3
150.03235	9.7
160.01668	6.8
161.04558	0.6
164.04750	1.0
165.05557	34.4
165.06956	1.2
165.15366	0.6
175.03999	26.1
177.98470	0.5
178.02716	14.5
180.04211	2.9
191.05675	0.8
192.04184	0.8
193.05061	78.8
195.06635	11.5
234.06789	0.7
250.06328	2.5
253.08691	0.9
254.09424	0.6
265.08722	0.7
282.09003	11.0
284.85504	0.5
297.11441	2.1
326.08014	0.9
341.10315	16.3
371.10913	0.6
379.15945	2.2
389.12469	12.1
505.44962	0.5
551.17865	5.1
555.13007	0.8
555.20990	13.3
630.52881	0.7
751.28235	100.0
913.33984	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73024	0.3
67.01881	0.5
71.01376	1.8
71.02307	0.2
80.63400	0.3
92.23055	0.3
93.03444	9.6
111.00904	0.3
111.04532	3.5
111.05227	0.4
113.02419	0.4
114.45637	0.3
117.03475	0.4
134.03737	7.2
137.02425	3.8
147.33261	0.3
149.06058	2.2
151.46306	0.3
155.03474	4.3
173.04544	100.0
191.05620	19.0
191.07397	0.4
193.05064	18.7
195.24179	0.3
223.66286	0.3
326.72672	0.3
367.10355	63.8
722.91174	0.3
858.13977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42674	1.1
80.02697	1.3
88.04056	1.3
99.94801	1.2
109.06583	41.6
123.08111	2.8
125.09705	11.3
137.51881	1.2
141.09256	2.2
148.75702	1.3
151.07605	1.7
169.08707	100.0
195.10243	6.6
217.15915	3.2
261.14987	10.8
268.03741	7.7
279.13290	4.3
279.16016	65.9
283.03101	2.5
283.06131	55.5
306.47015	1.6
343.75568	1.5
345.24826	1.5
483.26511	1.4
500.35931	1.6
592.57605	1.7
598.54626	1.7
599.93109	2.2
633.17902	6.0
913.43835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.6266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28782	0.3
76.92155	0.3
81.13322	0.3
89.99033	0.3
155.10785	6.6
167.05992	0.3
171.10234	2.3
198.40546	0.4
273.53284	0.3
279.23318	10.8
295.22861	0.6
297.24377	100.0
395.28006	9.9
443.78262	0.4
916.27039	0.4
922.27802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	19.2
72.80866	2.9
73.02930	5.7
73.42102	2.5
83.01377	4.9
85.02962	10.5
95.09025	2.5
95.17518	2.4
96.95992	3.2
99.00858	3.9
99.26431	2.5
101.02453	32.1
113.02419	16.0
119.05000	2.4
128.80920	2.7
151.00363	15.3
161.04559	3.6
246.87146	3.3
269.04523	11.2
270.04999	5.1
271.06128	34.4
286.67218	3.3
307.08569	6.7
320.09406	3.5
322.10901	5.3
349.18665	11.6
350.19305	4.0
373.22354	4.2
386.78687	2.8
478.90186	3.5
519.28198	100.0
577.15887	3.2
579.17590	28.1
579.30402	22.4
708.33844	4.4
854.39899	56.6
889.91467	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.3
68.65247	0.3
85.02927	0.4
87.00856	1.4
93.03442	5.1
96.28886	0.3
111.04507	1.9
114.80627	0.3
116.21677	0.3
117.03448	2.6
134.03740	34.7
135.21017	0.3
137.02426	0.4
143.96188	0.3
149.06067	9.6
152.35320	0.3
155.03491	3.4
165.96878	0.2
173.04556	7.3
174.19104	0.3
178.02698	0.3
178.26451	0.3
191.05632	24.7
193.05069	100.0
217.65274	0.3
262.79367	0.3
329.80075	0.3
367.10373	68.4
534.12653	0.3
571.18079	0.3
628.94879	0.3
915.28125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48322	0.5
72.99303	36.6
80.36223	0.4
85.72398	0.4
110.06416	0.4
115.04026	0.4
123.04506	9.1
135.04523	10.6
151.03975	0.5
169.54298	0.5
179.03499	38.4
183.79681	0.5
197.04568	100.0
258.24677	0.6
277.43423	0.5
341.08640	0.6
359.09879	9.7
389.79407	0.6
421.22906	0.5
457.13589	76.7
606.60437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37260	0.4
72.99303	36.2
92.22519	0.7
96.54632	0.4
115.03907	0.4
118.56425	0.4
121.72666	0.4
123.04507	8.5
127.52618	0.4
135.04524	8.8
151.04085	0.4
179.03502	41.6
197.04567	100.0
294.08044	0.5
359.05902	0.4
359.09875	11.2
402.68958	0.5
457.13580	83.0
464.78436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65723	0.7
65.72528	0.6
67.10934	0.6
71.01366	1.3
89.02419	1.0
89.48608	0.6
92.02167	0.6
101.02441	0.8
110.56641	0.7
113.02397	0.9
121.02956	0.8
134.03725	1.6
135.04555	0.7
149.02454	8.3
150.03218	1.3
152.01112	1.3
155.19308	0.6
163.03986	6.4
164.04813	19.1
166.02730	1.5
175.00333	7.2
176.01105	4.4
177.05582	1.3
178.06322	1.3
178.27782	0.7
179.07152	4.2
190.02734	60.1
191.03551	11.0
205.05074	80.2
206.05804	1.3
207.02943	2.8
208.03749	3.1
209.04494	2.5
221.08107	1.4
222.05338	2.8
223.06099	16.3
237.07654	2.8
258.48444	0.8
265.07239	2.7
265.13867	0.7
334.86771	0.7
337.95233	0.8
365.39764	0.7
395.01080	0.7
429.26337	1.0
451.15921	0.7
469.16937	1.2
674.22137	1.5
675.23114	44.3
908.90015	0.8
915.32941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50233	1.3
74.84953	1.3
80.59441	1.4
81.03458	22.5
83.05031	2.6
108.02181	6.0
109.06599	8.0
121.06544	2.2
123.08162	5.8
133.06641	2.4
135.08202	2.9
136.05247	1.7
137.06071	6.6
149.06134	2.3
151.07640	67.3
171.10268	99.2
185.11829	2.0
195.10304	30.4
201.11388	7.4
213.11333	8.7
252.58136	1.6
268.03802	3.3
283.06137	42.0
287.16522	3.3
305.17593	12.4
323.15494	4.3
323.18671	100.0
411.72891	1.6
415.52679	1.6
522.43817	1.7
591.17010	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	3.5
77.96065	0.5
83.98537	0.5
97.06575	11.0
105.47951	0.6
107.05032	2.3
113.09693	2.2
120.09564	0.6
121.10215	1.2
137.09727	2.5
139.07645	0.7
143.07153	8.6
147.08151	1.0
157.08684	3.5
165.12924	0.7
179.14465	0.7
179.79277	0.6
193.75230	0.5
205.12378	2.3
205.66331	0.6
207.13683	0.6
209.11868	0.9
215.40366	0.6
219.17519	1.2
223.13408	14.4
263.16565	15.6
268.03790	17.8
281.14465	2.2
281.17584	63.9
283.06134	100.0
347.65274	0.5
445.16711	0.5
867.77478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98616	0.5
70.14987	0.6
71.01370	2.6
88.88180	0.5
89.02435	4.5
101.02440	2.5
104.61862	0.6
113.02452	2.8
119.03494	1.3
120.43392	0.7
120.55616	0.6
128.51227	0.6
164.04771	5.8
176.01196	0.9
179.07161	2.8
188.04843	1.1
190.02740	11.1
191.03520	10.6
194.21071	0.6
203.07088	0.7
205.05075	33.8
206.05959	4.8
208.03745	1.3
221.08195	16.4
223.06116	30.5
237.07704	5.8
250.04803	3.0
265.07187	37.3
275.38565	0.6
277.86078	0.7
279.10968	1.1
295.08279	4.4
325.09387	4.3
350.33307	0.8
385.11456	1.1
410.17166	0.6
470.14142	1.0
485.16727	100.0
828.24084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56887	1.3
71.01379	36.7
73.02943	100.0
83.01385	15.6
85.02944	6.2
89.02439	19.3
95.01351	1.9
101.02439	77.5
102.58979	1.1
103.03955	1.1
113.02448	32.6
114.66112	1.3
119.03487	9.2
125.02425	1.7
125.24459	1.1
131.03513	7.1
143.03499	7.2
149.04549	20.0
155.03467	2.0
161.04553	36.7
191.05542	2.4
193.05098	6.0
203.05650	4.7
221.06670	32.2
227.72974	1.4
343.21277	1.9
357.15695	2.5
413.21912	2.8
415.23285	3.0
546.68433	1.4
571.20923	2.0
618.31250	1.4
765.90240	1.6
767.75208	1.5
840.40375	1.7
915.30798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73251	0.6
71.01374	1.3
75.71214	0.7
75.74022	0.6
87.00903	0.8
101.02458	1.0
113.02438	1.2
121.02911	0.7
145.02965	19.4
146.03745	3.8
147.04482	6.1
149.02414	4.5
161.02448	8.6
162.01868	0.9
162.03226	25.0
163.04141	2.3
164.04797	16.8
165.05576	0.9
175.00352	1.5
175.04015	1.3
177.01970	1.1
177.05544	5.2
179.07173	6.4
188.04694	1.1
190.02718	27.1
191.03429	5.0
192.04205	0.9
195.06642	2.9
205.05063	48.7
206.05847	7.1
208.03790	4.7
209.04761	1.0
221.08208	17.2
223.06129	37.5
231.48022	0.8
235.06146	0.9
236.81874	0.7
237.07661	4.9
247.06107	2.7
250.04836	1.4
265.07199	29.3
275.52588	0.7
295.08353	5.0
295.70023	0.8
311.09445	0.9
314.11765	0.7
325.09308	8.2
326.11673	4.1
329.14102	1.3
341.13919	3.8
385.11533	3.6
393.91766	0.8
563.17743	52.8
581.18848	100.0
664.25732	1.0
672.95148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73251	0.6
71.01374	1.3
75.71214	0.7
75.74022	0.6
87.00903	0.8
101.02458	1.0
113.02438	1.2
121.02911	0.7
145.02965	19.4
146.03745	3.8
147.04482	6.1
149.02414	4.5
161.02448	8.6
162.01868	0.9
162.03226	25.0
163.04141	2.3
164.04797	16.8
165.05576	0.9
175.00352	1.5
175.04015	1.3
177.01970	1.1
177.05544	5.2
179.07173	6.4
188.04694	1.1
190.02718	27.1
191.03429	5.0
192.04205	0.9
195.06642	2.9
205.05063	48.7
206.05847	7.1
208.03790	4.7
209.04761	1.0
221.08208	17.2
223.06129	37.5
231.48022	0.8
235.06146	0.9
236.81874	0.7
237.07661	4.9
247.06107	2.7
250.04836	1.4
265.07199	29.3
275.52588	0.7
295.08353	5.0
295.70023	0.8
311.09445	0.9
314.11765	0.7
325.09308	8.2
326.11673	4.1
329.14102	1.3
341.13919	3.8
385.11533	3.6
393.91766	0.8
563.17743	52.8
581.18848	100.0
664.25732	1.0
672.95148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24219	0.6
79.81886	0.6
88.45098	0.6
101.02434	0.8
113.58678	0.7
135.25026	0.7
137.06134	0.7
149.02458	1.0
150.03210	5.6
158.03699	0.8
159.04520	1.1
160.05299	10.7
161.04590	0.7
163.04012	3.0
164.04709	4.5
173.06105	1.2
174.06912	0.8
175.06108	1.2
175.07634	29.3
177.05571	5.8
178.06360	14.9
190.06334	1.2
192.07907	10.6
193.08656	5.2
205.08786	1.2
274.08517	1.0
299.12796	1.0
305.07031	3.0
314.11292	0.8
320.09479	0.8
328.13278	0.9
329.13965	100.0
343.15549	4.0
358.14124	2.6
359.14966	9.4
521.20459	4.3
599.68890	0.7
694.26636	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.341
Annotation	Unknow
Peak:m/z	Relative Intensity
74.92691	1.5
87.06748	1.8
131.50996	1.8
145.02977	15.9
145.66939	1.8
146.03729	1.8
147.04524	6.6
149.02458	4.1
155.82780	1.8
161.02429	6.1
162.03232	22.1
164.04820	21.8
165.05518	3.0
177.05557	2.1
179.07126	10.3
190.02716	26.0
190.06390	1.9
193.05046	2.0
195.91643	1.6
205.05070	45.9
206.05835	10.0
207.06653	2.1
221.08221	13.3
223.06070	31.1
223.09636	3.5
236.81209	1.8
237.07645	6.6
265.07196	26.6
283.09836	2.4
295.08398	2.0
296.10834	1.8
298.11996	2.1
299.09131	2.9
311.09366	32.7
314.11630	25.2
325.09631	8.2
326.11612	68.7
328.13214	1.8
329.14001	55.9
341.13959	100.0
359.15036	20.0
360.45395	1.7
370.90906	1.7
385.11325	2.3
389.15976	3.7
397.93359	1.9
521.20245	8.4
563.17664	47.8
581.18457	92.3
664.25684	33.8
676.25317	21.1
754.28345	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
92.23144	0.2
96.30527	0.2
136.25748	0.2
144.11740	0.2
145.45459	0.2
151.94943	0.2
153.70576	0.2
191.50003	0.2
213.01038	0.2
265.61456	0.2
268.03793	36.3
282.17502	0.2
283.06143	100.0
284.06558	0.2
363.58426	0.2
529.94733	0.2
688.00024	0.2
762.18500	0.2
914.62634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
92.23132	0.2
121.84271	0.2
126.11332	0.2
137.32864	0.3
140.43524	0.2
159.26282	0.2
176.01544	0.2
176.51967	0.2
181.05115	0.3
183.46184	0.3
268.03784	35.5
281.17599	0.3
282.17889	0.2
283.06134	100.0
284.06473	0.4
419.57352	0.2
541.77795	0.3
549.74628	0.3
633.18152	0.3
819.37769	0.4
917.43500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
73.62358	0.3
73.88811	0.3
80.49682	0.3
93.92853	0.3
94.97269	0.3
101.02429	0.3
130.98550	0.3
140.97809	0.3
141.09213	0.6
146.20261	0.3
155.10785	0.4
183.10312	0.4
239.16609	2.3
268.03796	32.5
283.06140	100.0
283.15143	2.4
424.85913	0.4
432.87244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70882	0.9
70.02976	6.4
72.00909	4.4
95.02516	1.0
96.00911	13.3
99.00877	0.8
100.04060	1.5
113.03551	24.0
114.01957	43.3
120.03513	0.9
123.05669	5.7
124.04029	1.7
125.03537	1.1
130.03963	0.8
131.04614	85.5
132.03008	10.7
142.05066	0.9
143.04604	9.1
149.03549	7.8
157.06174	3.8
167.04623	9.1
172.99281	0.8
185.05624	3.4
187.03604	1.5
193.02592	6.4
211.03612	41.6
229.04666	43.4
247.05722	100.0
297.19482	0.9
529.67993	0.9
564.16199	1.6
577.98901	0.9
582.17065	1.7
618.21448	1.1
631.79694	0.9
745.26788	0.9
745.39954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	2.2
67.02251	0.9
74.15764	1.3
83.05047	1.0
87.00861	9.9
93.03443	35.5
102.03707	1.1
104.51096	1.3
111.04514	8.1
119.27733	1.2
129.01947	1.7
136.94113	1.1
147.04526	1.5
148.01761	1.4
149.06068	1.2
155.03487	2.7
163.04074	1.9
173.04524	20.9
191.05623	10.3
205.08643	1.9
208.07443	6.4
219.22949	1.1
255.16801	1.3
305.38748	1.3
345.13318	1.5
359.15076	39.5
445.16180	1.4
480.71567	1.2
504.20007	1.3
507.20837	2.0
611.06238	1.5
743.25891	1.8
917.30908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	2.2
67.02251	0.9
74.15764	1.3
83.05047	1.0
87.00861	9.9
93.03443	35.5
102.03707	1.1
104.51096	1.3
111.04514	8.1
119.27733	1.2
129.01947	1.7
136.94113	1.1
147.04526	1.5
148.01761	1.4
149.06068	1.2
155.03487	2.7
163.04074	1.9
173.04524	20.9
191.05623	10.3
205.08643	1.9
208.07443	6.4
219.22949	1.1
255.16801	1.3
305.38748	1.3
345.13318	1.5
359.15076	39.5
445.16180	1.4
480.71567	1.2
504.20007	1.3
507.20837	2.0
611.06238	1.5
743.25891	1.8
917.30908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.9
72.99305	24.2
89.02438	1.4
99.00872	0.5
101.02437	1.7
113.02453	0.6
123.04520	5.5
135.04532	6.2
138.03264	0.5
153.05542	2.0
161.04565	0.5
179.03499	33.3
182.02232	1.3
197.04572	100.0
215.05621	0.6
263.11240	0.5
267.03912	0.3
359.09894	79.3
411.72952	0.4
557.20996	9.9
917.32086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	40.5
73.02944	100.0
73.03358	3.8
75.88121	1.5
83.01379	15.8
85.02942	10.0
87.00883	3.7
89.02442	16.7
92.22583	6.4
92.23095	3.1
93.41348	1.3
95.01359	1.8
101.02441	91.2
113.02451	35.4
119.03487	13.4
125.02394	2.3
129.50266	1.7
131.03497	9.8
134.80711	1.6
143.03487	8.4
149.04546	23.1
156.73341	1.9
161.04570	45.6
163.04185	1.7
191.05481	2.3
203.05557	6.6
221.06670	38.6
237.14331	1.7
347.06824	2.0
413.21796	2.6
415.23468	36.5
712.21924	2.1
839.56683	1.7
917.30994	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	10.3
83.01392	1.6
85.02927	1.8
87.00906	2.0
89.02445	18.4
101.02449	10.8
113.02457	8.2
119.03495	5.6
125.02443	5.2
143.03497	1.5
161.04561	1.8
169.12386	1.7
171.12852	1.5
181.12306	8.3
197.11746	1.5
199.13411	100.0
235.08252	4.8
277.21750	55.8
306.28525	1.6
346.15851	1.5
379.12439	6.8
397.13562	32.4
408.33508	1.4
415.14639	8.9
459.35034	2.8
531.00134	1.5
579.26550	14.6
597.27570	12.1
657.35138	9.2
675.36328	15.6
807.65753	1.5
850.15552	1.7
857.49298	22.0
917.50311	5.6
925.62091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36005	0.3
73.63290	0.3
78.95897	3.4
82.83766	0.3
87.61285	0.3
87.85373	0.3
89.91563	0.2
106.44734	0.3
152.98318	0.5
152.99579	17.1
153.77563	0.3
171.00671	1.4
245.04347	1.2
255.23318	100.0
331.59906	0.3
358.44644	0.3
363.65714	0.3
433.23752	2.7
483.27353	57.5
898.02295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36029	0.2
71.01794	0.2
78.95901	3.4
96.98666	0.2
114.06953	0.2
118.83212	0.2
119.99299	0.2
152.99588	23.3
171.00641	1.4
227.03256	3.2
245.04390	0.4
255.23317	100.0
430.58557	0.3
433.23911	1.7
483.27347	70.0
742.04675	0.2
758.32178	0.2
889.09204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05043	0.2
70.06736	0.2
73.83305	0.2
75.14641	0.2
78.95901	4.9
102.52876	0.2
123.54384	0.2
152.99585	26.0
171.00681	1.5
190.06898	0.2
227.03293	3.4
245.04318	1.0
255.23317	100.0
279.23050	0.2
309.98062	0.2
337.88721	0.2
348.63187	0.2
415.38693	0.2
433.23785	1.8
483.27344	69.0
632.88843	0.2
666.62329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	2.1
81.97755	0.4
91.65125	0.4
96.96957	0.5
99.28761	0.4
123.11504	0.4
124.67651	0.4
125.15565	0.4
140.45680	0.4
152.99585	16.2
171.00591	0.5
176.21469	0.4
227.03331	1.0
245.04292	0.7
249.65089	0.4
255.23308	100.0
306.40121	0.4
413.66202	0.5
433.23642	3.1
446.88556	0.4
483.27325	56.2
635.31903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26992	0.3
78.95893	5.4
81.36274	0.2
83.54337	0.3
85.93619	0.2
152.99577	26.0
171.00629	0.6
227.03215	3.5
245.04340	0.6
255.23300	100.0
279.23026	0.3
342.89063	0.3
417.93060	0.3
433.23831	2.3
483.27307	68.6
484.28635	0.4
517.81378	0.3
707.91309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	3.0
152.99585	17.3
171.00687	0.8
223.75458	0.4
227.03207	0.7
243.73148	0.4
245.04451	0.8
246.85524	0.4
255.23320	100.0
433.23816	3.0
445.89075	0.4
483.27362	52.2
665.35199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	2.7
82.98509	0.3
97.71960	0.3
105.12679	0.3
106.15732	0.3
131.73076	0.3
152.99599	13.6
165.81906	0.3
171.00620	1.4
227.03256	1.3
245.04308	1.4
255.23322	100.0
269.25510	0.4
273.52277	0.4
310.08640	0.4
375.64932	0.3
433.23474	1.6
483.27362	52.7
838.90082	0.4
908.88867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.0
71.01379	0.8
85.02939	0.9
85.69616	0.5
87.00860	5.5
88.32269	0.5
93.03452	20.4
101.02519	0.4
104.28454	0.5
110.34409	0.5
111.04522	5.1
113.02438	0.5
115.56984	0.5
117.48696	0.5
119.04980	0.5
134.03735	2.5
141.82422	0.5
143.22989	0.5
149.06099	1.0
152.86040	0.5
155.03554	0.8
163.04039	1.2
165.05641	0.8
173.04558	20.0
175.04002	0.8
186.05620	0.5
191.05632	100.0
193.05061	8.2
270.08954	1.1
337.09302	3.3
367.10376	57.2
419.15341	0.7
460.75824	0.6
516.05573	0.6
551.18042	0.8
654.32452	0.5
752.27979	0.6
919.28534	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70997	0.4
67.01896	0.8
85.02937	0.6
87.00877	3.2
93.03443	13.1
111.04514	4.1
113.02454	0.6
117.03455	2.9
127.03960	0.7
129.01924	0.6
134.03738	33.9
137.02428	0.5
149.06068	7.9
155.03513	3.4
163.04048	0.5
173.04543	10.7
188.86256	0.5
191.05629	61.3
193.05069	100.0
227.04340	0.5
367.10379	81.1
573.44385	0.5
578.61804	0.5
648.16931	0.6
679.98938	0.5
919.30219	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70997	0.4
67.01896	0.8
85.02937	0.6
87.00877	3.2
93.03443	13.1
111.04514	4.1
113.02454	0.6
117.03455	2.9
127.03960	0.7
129.01924	0.6
134.03738	33.9
137.02428	0.5
149.06068	7.9
155.03513	3.4
163.04048	0.5
173.04543	10.7
188.86256	0.5
191.05629	61.3
193.05069	100.0
227.04340	0.5
367.10379	81.1
573.44385	0.5
578.61804	0.5
648.16931	0.6
679.98938	0.5
919.30219	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	2.0
71.01369	0.8
85.02950	3.4
87.00872	5.2
93.03455	19.4
99.00899	0.3
99.04467	0.3
101.02448	0.4
103.47107	0.4
111.04514	5.8
113.02414	0.5
129.01920	1.6
134.03717	3.0
149.06129	0.5
155.03511	1.6
163.04027	0.5
165.05551	0.8
173.04547	13.4
175.03960	0.6
191.05632	100.0
193.05066	8.9
256.07382	0.7
270.09073	0.7
271.09760	0.7
337.09341	0.3
367.10376	53.4
385.07751	0.7
389.12463	1.8
491.16040	0.5
551.16943	0.5
919.28772	4.2
935.68494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
80.97011	0.9
81.15191	1.1
90.49464	1.0
92.23151	1.1
95.71299	1.0
111.00873	59.1
134.03816	1.3
135.04517	5.8
148.05296	14.7
149.06062	4.2
162.06870	1.7
176.03499	2.4
177.04256	1.7
178.05077	20.4
190.05092	4.2
192.06624	1.4
297.10040	21.3
312.12436	100.0
340.06363	1.2
367.47922	1.1
370.07233	23.3
385.09772	2.5
400.11917	4.6
409.41885	1.2
444.10916	6.2
474.17746	36.0
492.96582	1.2
585.18372	6.2
586.19379	15.0
599.19000	1.2
645.22675	8.8
677.22693	1.1
807.27765	19.2
919.29211	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.325
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	1.6
83.05005	0.3
83.12635	0.3
84.24715	0.2
85.02941	0.5
87.00864	4.7
91.17471	0.3
93.03448	18.7
111.04505	4.0
113.02393	0.4
129.01942	0.6
131.15431	0.3
134.03720	2.5
149.06090	0.4
155.03519	1.4
164.02121	0.3
173.04544	12.1
175.03996	0.6
189.93437	0.3
191.05623	100.0
193.05020	7.8
215.11447	0.3
228.95683	0.3
295.47775	0.3
353.38931	0.3
367.10355	67.5
368.10944	0.4
605.11212	0.4
754.31891	0.3
954.41229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79651	1.3
64.16525	1.4
66.27696	1.2
78.39211	1.4
93.03461	9.2
111.04521	1.7
134.03743	8.1
137.02441	2.5
146.30501	1.4
155.03528	3.3
165.81082	1.5
167.09789	1.4
173.04549	100.0
183.45795	1.5
191.05731	2.1
193.05107	18.0
246.64914	1.4
280.06131	1.8
283.47928	1.6
367.10410	48.0
448.85834	1.9
521.11310	1.9
615.91107	1.8
954.34900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48946	0.4
69.40316	0.4
72.39213	0.4
72.99306	29.6
73.02945	0.6
83.05033	0.4
109.02965	0.5
118.71318	0.4
123.04509	7.8
135.04533	9.4
151.03999	1.1
165.66270	0.5
173.64345	0.5
179.03508	37.3
197.04579	100.0
205.51836	0.4
215.05630	0.6
243.14017	0.9
305.14035	5.3
331.15442	4.4
341.08850	0.6
359.09888	6.4
432.00781	0.5
919.36194	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.6
92.22522	0.5
98.71884	0.4
111.08153	2.1
119.08640	4.0
124.83096	0.4
130.82487	0.4
131.14690	0.4
137.09708	4.1
171.10274	17.7
171.11754	0.7
171.67590	0.4
222.15137	0.4
237.18619	2.6
247.17039	1.9
263.20187	0.7
265.18094	10.6
268.01053	0.7
268.03778	7.6
273.18643	14.9
283.06131	52.8
283.19153	22.7
284.32056	0.4
291.19611	6.9
309.20685	7.3
325.20151	0.6
327.21799	100.0
492.43005	0.5
494.93704	0.4
591.17200	2.8
658.20135	0.4
755.41925	0.4
863.83624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08232	0.3
71.01380	0.3
82.14886	0.3
83.01388	0.3
84.02126	0.3
84.29717	0.3
85.02940	16.5
96.95985	0.3
97.06561	0.5
110.96236	0.3
125.06101	0.4
151.37531	0.3
157.55591	0.3
171.10289	1.5
183.13904	26.6
184.63518	0.3
195.13872	1.3
207.17514	0.5
211.13371	3.1
223.17082	3.3
233.15457	1.9
239.16547	1.8
240.09637	0.3
251.16547	8.9
269.17596	4.8
283.06223	0.5
289.42636	0.3
291.19748	2.1
309.20703	1.7
327.21790	100.0
328.21967	0.4
366.99924	0.3
373.76059	0.4
415.16882	0.4
639.89697	0.4
671.15338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02140	0.4
73.50816	0.4
75.05692	0.4
92.70776	0.4
96.54124	0.4
101.28180	0.4
112.72856	0.4
125.02412	0.9
125.24990	0.4
131.18138	0.4
137.02449	3.1
138.03262	0.9
139.04057	3.2
151.03934	0.6
152.04785	4.5
165.05551	0.6
181.05075	9.3
195.06647	17.4
207.06610	1.0
209.08220	2.6
221.08542	0.5
306.07947	3.7
312.90103	0.4
320.09164	0.8
321.10040	1.8
336.12451	1.1
361.12885	3.1
375.14554	2.6
391.14005	17.1
406.16376	43.8
421.18756	100.0
583.24054	23.1
682.07965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19190	1.4
71.01380	8.0
72.99358	1.6
75.58444	1.2
76.57346	1.2
89.02457	2.1
92.72461	1.4
114.99604	2.3
115.00366	43.1
117.94210	1.4
133.01430	100.0
161.76157	1.4
183.02484	1.5
227.53874	1.4
497.84103	1.5
522.24774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58340	1.8
65.70550	1.7
98.23656	2.1
149.02437	8.1
157.23911	1.8
164.04802	70.3
179.07137	61.1
179.70274	2.1
180.57526	1.7
195.06660	2.3
205.05005	2.3
222.05296	4.6
223.06177	10.7
237.07648	2.2
279.22589	2.0
313.98975	1.9
327.21887	2.5
463.16113	100.0
621.21869	11.0
861.31964	7.1
921.33380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.341
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67645	1.3
75.85926	1.3
90.40552	1.6
93.31164	1.3
100.09687	1.4
113.43491	1.6
117.46819	1.4
146.03735	6.1
149.02492	3.0
161.06091	3.4
164.04802	18.8
179.07106	15.8
181.65019	1.4
182.16440	1.6
190.02766	25.7
205.05055	48.4
209.04674	2.5
223.06116	10.0
232.80705	1.6
239.02791	1.7
282.17169	1.7
364.08267	1.8
445.09555	1.8
463.16269	7.3
484.38748	1.7
621.21979	100.0
656.67517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77200	0.9
69.49352	0.8
71.01723	0.9
78.95898	52.8
96.96951	3.6
120.53534	1.0
137.02441	2.1
152.99580	100.0
155.03494	1.0
171.00639	59.8
174.87865	0.9
249.26691	1.1
272.60443	0.9
406.23154	1.9
407.22055	93.4
409.70807	1.0
430.97015	1.1
540.80371	1.1
631.16742	1.1
746.42096	1.2
921.48145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.3
75.14282	0.2
85.02943	0.6
93.03429	0.4
111.00888	2.9
111.04502	1.1
133.02942	0.3
135.04529	26.9
155.03505	2.0
161.02423	4.0
173.04590	2.8
179.03508	68.8
191.05632	100.0
193.58655	0.3
244.62656	0.3
353.08838	84.3
569.17352	1.5
715.58362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23857	1.2
70.65363	1.3
71.01374	64.8
72.99286	11.5
73.04187	1.2
73.93583	1.3
80.41174	1.4
85.84525	1.1
87.83678	1.5
89.02418	5.8
97.02935	1.3
99.45158	1.2
101.02406	3.1
105.61877	1.5
105.62919	1.2
115.00362	10.3
115.03959	5.9
119.03445	3.0
129.01965	1.6
131.37653	1.4
133.01399	2.3
149.02386	1.9
163.03934	2.0
164.04756	11.0
166.02687	1.7
179.07121	2.0
183.06590	2.3
190.02713	19.2
191.03404	1.8
205.05064	82.4
207.02910	1.5
208.03770	1.6
214.25089	1.4
223.06177	18.0
463.15994	7.5
469.17194	92.3
469.23959	3.3
488.44754	1.4
567.20459	1.9
709.27197	11.8
787.39374	1.8
923.31616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58968	0.3
102.27561	0.4
134.03737	0.6
150.03110	0.4
153.12848	16.1
165.05493	0.5
175.03973	0.6
193.05093	0.9
197.11842	38.6
215.12886	100.0
243.57048	0.4
268.03720	0.7
283.06216	5.2
289.16599	66.9
436.23666	0.4
501.34976	0.4
515.73181	0.4
530.72540	0.4
619.08441	0.5
811.76178	0.4
862.40753	0.5
923.31635	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	0.2
71.01378	11.8
73.02958	3.9
75.73030	0.3
83.01376	1.8
85.02954	4.6
86.40514	0.3
87.00842	0.3
89.02443	6.8
91.30506	0.2
92.52229	0.3
95.01389	0.6
97.02973	0.4
99.00876	7.1
101.02440	13.8
102.05084	0.3
107.08646	0.5
113.02445	10.8
120.61066	0.3
123.71742	0.3
125.02435	0.6
131.03471	0.5
142.98463	0.3
143.03508	1.5
159.02954	1.3
161.04561	7.6
183.10263	1.4
191.05588	1.6
230.72702	0.3
241.99167	0.3
299.20126	2.2
309.20667	2.9
319.22818	48.9
326.66611	0.3
481.28165	3.6
613.32391	100.0
624.74493	0.3
744.12640	0.3
891.51721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62763	0.4
78.95901	18.2
96.96954	3.0
129.85277	0.3
152.99585	100.0
159.13551	0.3
171.00618	3.7
198.91452	0.3
203.54572	0.4
203.61121	0.3
251.56554	0.3
255.23247	3.0
331.67795	0.4
409.23663	51.6
623.64233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68465	0.4
78.95899	15.2
83.73058	0.5
96.96969	4.2
152.99582	100.0
171.00592	3.8
171.10382	0.5
213.36687	0.5
255.23416	2.8
293.21326	0.8
393.83539	0.5
409.23636	47.2
748.45294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02225	1.0
71.01075	0.9
83.01387	0.9
86.38248	0.9
89.02425	1.0
96.30148	0.9
125.02442	8.6
172.96021	0.9
186.02162	1.0
187.04070	1.5
190.25621	1.2
207.04581	1.1
208.03813	1.4
212.03436	1.8
223.04010	1.7
223.06161	4.4
235.04065	1.2
237.05621	1.2
238.08749	4.2
240.06671	1.5
248.93071	0.9
251.03534	12.8
253.04933	1.2
261.07751	1.2
262.08829	4.0
265.01379	3.8
269.04593	4.3
270.07712	5.0
278.04611	2.4
279.03036	18.3
280.09708	1.6
283.02560	2.2
292.09705	1.7
295.02359	1.5
297.03998	1.9
305.03308	5.0
310.10913	1.6
320.09396	2.1
322.03571	5.5
323.01956	2.4
325.13113	1.8
330.07556	1.2
340.15735	4.1
348.08777	7.6
350.10153	1.3
378.09680	2.4
466.07855	1.7
924.24194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.3
71.10749	0.2
73.02935	3.1
76.19065	0.2
83.64771	0.2
86.11520	0.2
94.17327	0.2
95.63631	0.2
97.02962	0.3
99.00896	0.5
99.92570	3.8
114.93423	0.8
115.03974	1.5
116.03567	0.2
116.04390	0.2
116.92850	100.0
117.01923	9.8
117.02758	0.4
117.05581	0.2
141.18297	0.2
179.93507	0.2
205.05083	0.4
278.26047	0.2
469.17316	0.5
925.39557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09397	0.3
71.01376	10.7
73.02947	5.3
73.21629	0.2
76.00429	0.2
83.01394	0.5
85.02955	2.3
87.00835	0.3
89.02424	5.0
97.02940	2.7
97.20451	0.3
99.00861	2.0
99.87221	0.3
99.92590	3.2
101.02435	3.0
113.02455	2.9
114.93340	0.4
115.04002	6.4
116.92854	100.0
117.01929	16.1
119.03493	1.5
125.93861	0.3
133.48604	0.3
145.25861	0.3
161.04567	2.0
179.05585	0.6
193.78284	0.3
212.54430	0.3
240.38062	0.3
259.08261	14.2
267.89435	0.3
277.09348	2.6
469.17188	0.4
555.23712	0.3
805.29022	0.5
925.41937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68004	0.5
96.01073	0.7
115.03985	6.3
117.03465	4.5
133.28799	0.7
134.03735	61.0
149.06085	13.4
155.06549	0.8
160.01671	2.4
163.04001	0.7
175.04007	11.6
193.05066	100.0
268.03714	3.6
283.06158	18.9
291.08807	16.7
412.42047	0.6
457.95291	0.7
806.35236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.5
72.99303	40.6
94.12737	0.4
99.00889	0.9
106.35072	0.5
107.05004	0.5
109.02934	0.6
117.01939	4.2
123.04508	11.3
134.03728	0.5
135.04524	20.8
137.09766	0.7
151.04013	7.8
178.02646	0.6
179.03499	53.0
181.08714	0.4
193.05103	1.8
197.04565	89.7
211.06181	0.5
218.54129	0.4
221.04367	0.5
239.05592	10.4
284.85684	0.5
341.08844	2.7
359.09872	0.9
583.20380	0.8
778.45496	0.5
925.30005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.3
67.02200	0.1
68.10369	0.2
71.01369	2.0
71.01709	0.2
83.05071	0.3
85.02935	0.2
87.00839	0.2
89.54642	0.2
93.03447	10.8
110.73672	0.2
111.00887	0.4
111.04518	3.4
113.02429	0.2
128.93465	0.2
134.03737	3.0
137.02443	4.1
140.81947	0.2
149.06065	4.9
155.02353	0.3
155.03511	4.6
173.04550	100.0
178.02692	2.4
193.05070	22.5
300.67007	0.2
329.60150	0.2
330.74701	0.2
355.10355	0.8
375.63116	0.2
529.15704	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	60.0
72.99299	1.1
73.02948	8.0
83.01391	1.7
85.02942	11.0
89.02445	26.8
95.01389	2.5
97.02943	10.6
99.00887	4.6
99.92579	2.1
101.02431	27.8
113.02427	23.0
115.04002	31.3
116.92854	92.7
117.01936	9.2
119.03477	10.6
125.02474	1.4
141.83572	1.1
143.03595	1.6
149.04541	1.6
161.04567	15.7
173.35913	1.4
179.05608	2.7
259.08246	100.0
277.09247	16.0
293.94717	1.1
359.50339	1.3
361.23810	5.3
563.21783	2.1
605.22211	2.2
805.29614	5.2
827.37042	2.1
925.41632	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13042	2.1
71.01004	4.3
71.01382	70.9
73.02946	8.8
80.79028	2.2
85.02945	18.7
89.02442	28.7
97.02951	13.1
101.02464	17.3
113.02425	19.7
115.04013	33.2
116.92845	13.2
119.03484	5.4
128.24576	2.1
161.04529	15.2
259.08273	100.0
277.09280	10.7
319.10443	4.0
390.78625	2.4
563.21759	3.2
636.78314	2.7
707.25134	3.2
925.39703	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08168	0.9
69.01588	0.9
80.04076	0.9
135.11620	1.0
151.86047	1.1
171.11737	3.8
187.14932	17.3
196.40775	1.2
231.13879	6.5
249.14972	45.7
268.03809	16.6
280.24738	1.0
283.06134	100.0
487.74426	1.3
626.13953	1.2
675.19360	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60224	0.2
71.01378	10.4
72.99264	0.2
73.02949	1.8
80.02631	0.2
83.01373	0.4
85.02956	3.2
87.00851	0.4
89.02437	17.7
95.01382	0.7
99.00890	0.9
101.02440	11.1
113.02441	8.4
119.03491	8.1
121.28736	0.2
125.02459	0.3
128.56958	0.2
131.03522	0.4
133.10222	1.1
143.03520	1.2
147.08209	0.2
149.04584	0.3
159.02983	0.2
161.04567	1.4
161.09741	1.7
162.12704	0.2
163.11337	1.5
179.05577	0.3
179.14464	0.4
191.05667	0.4
195.13783	0.3
207.10371	0.3
223.13405	41.2
241.14552	3.5
294.56372	0.2
329.13867	0.3
359.20688	0.2
367.10602	0.2
401.18103	0.4
402.18365	0.4
403.19778	100.0
434.30975	0.2
885.27374	0.2
900.44763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	12.8
71.01378	12.9
71.05012	5.8
76.88924	2.5
77.79853	2.1
79.81522	2.2
82.76380	2.3
87.00896	2.9
89.02454	25.1
91.67278	2.3
97.06584	29.8
101.02461	5.8
113.02443	12.6
119.03496	6.0
121.06577	38.8
121.10233	5.9
124.45767	3.1
125.09742	26.8
126.42309	2.9
171.10249	10.2
172.81989	2.5
179.05615	3.2
183.13959	3.4
185.11826	42.0
209.11865	20.4
211.13522	21.8
235.13387	46.2
264.50723	2.6
275.20114	12.0
289.18100	4.9
293.21243	29.8
307.19153	97.2
333.36713	2.8
341.10999	26.0
408.38120	2.9
599.21552	3.1
599.30579	5.5
617.31897	100.0
793.47681	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	2.2
65.43434	1.3
71.01389	13.8
71.05016	3.0
73.02924	1.7
83.01434	1.4
85.02917	1.2
87.00858	10.0
89.02442	23.0
97.06586	6.3
101.02429	12.4
113.02451	11.4
119.03497	8.7
121.06584	6.9
125.09733	4.7
143.03456	1.7
158.71727	1.3
175.61455	1.4
179.05624	6.1
185.11841	8.9
195.13989	1.7
209.11891	4.7
211.13454	2.4
223.13319	2.0
235.13507	9.0
235.17041	8.0
275.20230	13.0
293.21274	35.8
307.19199	17.9
323.09824	2.2
341.10968	25.6
344.13254	1.4
551.23083	1.4
595.27869	2.6
599.31110	6.7
617.31879	100.0
681.89673	1.3
752.57538	1.4
759.56873	1.6
885.84924	1.6
951.63953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	22.8
81.57234	0.3
85.44718	0.3
92.23106	0.6
96.96946	3.4
117.49075	0.4
150.98012	0.8
152.99585	100.0
171.00696	4.4
243.30740	0.3
279.23212	1.8
433.23654	52.2
450.06219	0.4
526.66528	0.4
529.35071	0.4
533.01276	0.4
754.66785	0.4
909.85303	0.4
926.55231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.5
72.04536	2.0
73.02901	0.7
74.69263	0.4
77.81124	0.4
82.02979	33.0
85.02943	0.4
85.71654	0.4
89.02434	0.5
91.05514	1.9
98.02489	3.4
100.04042	47.9
101.02412	1.0
111.04536	0.5
113.02435	0.8
123.89425	0.5
127.03997	0.8
135.89154	0.6
145.02968	3.4
159.02898	0.5
164.07166	2.2
176.10849	2.0
176.29904	0.6
202.08740	21.3
204.10266	0.6
221.89687	0.5
248.09293	100.0
373.18610	4.9
374.19110	3.2
409.14975	2.0
410.10428	0.6
410.15555	2.0
563.21808	0.6
564.22797	0.5
924.98749	0.6
926.35834	0.5
926.58997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50893	0.5
71.64063	0.4
71.64519	0.4
72.99303	15.5
84.42459	0.6
86.79581	0.5
92.23064	1.0
93.32175	0.5
110.06113	0.5
111.00867	11.4
120.01234	38.3
123.04504	3.6
135.04504	3.7
179.03485	20.4
184.73444	0.5
197.04561	100.0
215.05608	0.6
232.02892	0.8
359.05399	0.8
359.09818	19.5
411.65796	0.5
471.11554	2.1
501.73404	0.6
527.03101	0.6
592.13489	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68269	2.2
112.59595	2.6
114.56064	2.6
124.05179	2.1
140.51288	2.6
149.21956	2.4
203.96162	2.5
241.08679	3.2
257.07974	4.0
267.16376	2.9
281.06604	4.4
283.09787	28.6
297.06366	19.8
297.09363	2.9
301.10855	28.1
301.53210	2.5
323.07880	38.1
339.07425	3.0
341.08990	19.6
431.09396	4.7
473.10843	4.9
521.14624	3.5
539.16119	3.6
563.15686	5.8
565.17151	3.0
581.16394	3.0
585.74658	2.8
607.18243	11.1
624.18054	4.3
625.19226	73.2
914.28912	3.3
927.30530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.1
72.99302	35.4
73.02942	0.5
73.72624	0.4
78.53434	0.5
83.01395	0.8
95.94840	0.5
99.00861	1.0
109.02895	1.2
117.01926	3.0
123.04517	11.7
135.04538	17.1
139.11333	0.8
149.02556	0.6
151.03992	5.8
177.05615	0.5
179.03505	50.0
181.04996	0.6
181.12395	0.7
183.10251	2.1
193.05034	1.0
197.04564	81.4
211.06033	0.6
215.05582	0.8
225.11278	1.0
239.05602	8.8
263.12842	0.7
277.03613	0.5
291.12439	0.6
341.08752	2.7
606.69409	0.7
681.72778	0.7
745.13104	0.6
927.31445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92537	0.3
66.00661	0.3
69.10600	0.4
71.01379	6.5
72.99300	0.7
85.02934	0.7
89.01952	0.5
89.02451	9.8
101.02436	7.2
113.02438	4.2
119.03483	3.2
119.15677	0.5
134.03758	0.8
135.04544	1.9
149.02466	0.4
151.04041	0.4
152.01155	0.4
152.21025	0.3
153.01999	0.5
163.04013	7.3
164.04800	3.6
166.02725	3.1
177.01988	0.5
177.05595	0.6
178.06400	1.7
178.85992	0.4
179.03545	0.7
180.79167	0.4
181.05133	0.7
183.06602	2.1
190.02647	2.7
191.03394	0.4
192.04277	0.4
194.05881	0.4
197.04582	2.1
205.05089	15.5
205.07031	0.6
207.02992	8.1
207.28027	0.4
208.03716	0.6
215.07126	0.4
222.05338	4.1
223.06108	4.3
230.09494	1.8
230.48140	0.4
245.11938	0.7
274.08521	4.8
289.10837	9.8
292.09766	0.4
293.10339	2.2
321.09848	2.5
439.12378	2.3
454.14798	2.6
469.17215	100.0
695.25659	1.8
711.61914	0.4
769.29541	5.3
927.39063	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92537	0.3
66.00661	0.3
69.10600	0.4
71.01379	6.5
72.99300	0.7
85.02934	0.7
89.01952	0.5
89.02451	9.8
101.02436	7.2
113.02438	4.2
119.03483	3.2
119.15677	0.5
134.03758	0.8
135.04544	1.9
149.02466	0.4
151.04041	0.4
152.01155	0.4
152.21025	0.3
153.01999	0.5
163.04013	7.3
164.04800	3.6
166.02725	3.1
177.01988	0.5
177.05595	0.6
178.06400	1.7
178.85992	0.4
179.03545	0.7
180.79167	0.4
181.05133	0.7
183.06602	2.1
190.02647	2.7
191.03394	0.4
192.04277	0.4
194.05881	0.4
197.04582	2.1
205.05089	15.5
205.07031	0.6
207.02992	8.1
207.28027	0.4
208.03716	0.6
215.07126	0.4
222.05338	4.1
223.06108	4.3
230.09494	1.8
230.48140	0.4
245.11938	0.7
274.08521	4.8
289.10837	9.8
292.09766	0.4
293.10339	2.2
321.09848	2.5
439.12378	2.3
454.14798	2.6
469.17215	100.0
695.25659	1.8
711.61914	0.4
769.29541	5.3
927.39063	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	4.0
73.02942	0.7
85.02955	0.8
89.02441	6.9
92.22481	0.5
101.02441	4.9
113.02455	2.3
119.03473	2.2
135.04559	0.6
145.43289	0.3
149.02426	1.4
161.04559	0.7
163.04010	2.7
164.04805	6.8
166.02731	2.9
169.17570	0.3
175.00426	0.5
177.05595	0.7
178.06354	1.4
179.03581	0.4
179.07108	1.6
181.05052	0.6
183.06604	1.5
190.02730	16.0
191.03493	0.4
195.06610	0.5
205.05078	66.6
207.02986	3.0
208.03741	0.3
222.05270	2.6
223.06149	11.7
230.09538	0.3
243.03824	0.3
263.11411	1.5
334.01556	0.3
454.14868	0.6
469.17212	100.0
505.17300	0.5
523.18280	1.3
567.20709	0.5
695.25470	4.7
725.54437	0.3
729.66711	0.4
769.29645	4.7
793.14221	0.3
927.40131	1.8
945.31177	0.3
947.62848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70660	0.4
70.86086	0.4
78.52823	0.4
87.81608	0.4
182.36533	0.4
184.13512	0.5
205.19556	1.0
231.21359	0.4
259.24258	3.8
279.23309	5.5
303.23331	100.0
436.40796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	17.9
93.44259	0.2
96.96961	3.1
150.21506	0.3
150.98051	0.4
152.99588	100.0
161.42703	0.3
167.30635	0.3
171.00641	4.5
229.89517	0.3
255.23369	1.9
409.23660	46.4
482.93152	0.3
504.30887	0.3
928.57532	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88701	0.4
77.84850	0.4
78.95895	18.4
92.22543	0.7
96.96957	3.1
106.24953	0.4
116.77100	0.5
127.11854	0.4
147.39676	0.4
150.98015	0.4
152.99580	100.0
171.00641	4.3
228.69382	0.5
255.23233	2.1
298.16937	0.4
394.71738	0.5
409.23633	54.4
506.70081	0.5
554.86725	0.5
778.94611	0.5
928.57306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.2
71.34776	0.8
73.37693	0.9
90.40141	0.9
93.45321	1.0
96.96883	0.9
113.40394	1.2
133.02960	12.8
134.03754	2.3
135.04530	10.6
161.02446	100.0
175.04015	3.9
179.03503	8.6
185.30826	1.1
193.05083	5.3
197.04533	1.2
205.05191	1.2
441.73392	1.0
456.32062	1.0
535.78851	1.3
707.23608	16.5
767.25696	73.4
929.39355	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	5.2
73.01421	1.3
76.64095	0.9
89.02435	12.2
101.02444	7.2
113.02448	4.4
115.04005	6.6
119.03497	7.8
134.03743	13.7
136.33084	1.0
149.02432	1.0
149.06084	16.9
150.03207	9.7
164.04826	2.1
165.05559	48.0
174.15744	1.3
178.02707	24.2
180.04295	2.1
193.05063	84.8
195.06645	19.7
195.61472	1.0
217.26923	0.9
224.34029	1.0
250.06294	1.9
279.10809	12.1
282.08984	11.4
296.54874	1.1
307.43198	1.2
326.07727	1.0
330.79526	1.2
341.10266	16.5
377.14551	24.7
378.15115	2.2
389.12421	35.5
551.17761	100.0
596.03265	1.1
639.99091	1.1
647.58087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66670	0.3
77.82845	0.3
98.04189	0.3
174.86115	0.3
294.07806	1.5
308.05676	99.2
308.73550	0.4
322.07260	1.8
323.08023	50.8
338.10379	100.0
431.94653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.4
72.00905	1.3
73.02933	1.2
89.02448	0.4
94.02956	0.2
101.02442	9.2
112.04010	0.3
118.14092	0.2
119.05030	1.1
144.08197	1.4
145.03003	1.4
147.04512	8.8
148.07567	0.2
149.06035	1.1
161.04614	0.5
161.05901	0.5
163.04039	3.1
164.07178	100.0
179.05626	0.8
186.09187	0.2
187.04057	0.3
189.05588	5.3
194.02837	0.2
201.55562	0.2
203.43512	0.2
205.05083	2.5
206.08214	2.0
235.06114	1.8
236.09299	13.4
248.09280	0.9
250.61664	0.2
261.07681	0.5
265.07178	5.5
266.10333	0.9
278.10199	1.5
325.09409	0.4
326.12494	21.6
363.10898	1.1
377.19553	0.2
381.11575	0.2
423.13184	0.8
441.13916	0.7
453.14301	0.3
483.15256	1.9
497.96954	0.2
499.95633	0.3
513.16321	0.9
543.17316	6.0
579.30206	0.3
603.19440	1.8
679.33521	0.2
783.09753	0.2
836.84821	0.2
880.51544	0.2
895.14691	0.2
930.32495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36140	0.4
65.82524	0.5
71.01369	7.8
73.02943	22.2
83.01379	3.5
85.02951	1.1
89.02436	3.9
101.02432	17.0
101.03085	0.7
113.02438	100.0
119.03476	0.9
131.03503	1.2
135.04350	0.5
143.03471	1.1
149.04573	4.1
161.04535	7.3
188.38370	0.5
203.05746	0.7
221.06683	6.1
375.74881	0.7
474.12589	15.3
533.28638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	30.3
85.41558	0.4
89.83351	0.5
96.96943	3.2
105.20819	0.5
107.33163	0.5
120.17630	0.5
150.98027	0.6
152.99577	100.0
171.00630	3.1
182.82384	0.5
256.92245	0.5
281.24850	2.7
409.23367	4.5
433.05856	0.7
435.25198	54.1
727.32813	0.6
760.55603	0.6
930.58130	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.5
68.55612	0.2
71.01378	1.3
72.99307	0.4
83.05000	0.3
85.02941	0.5
87.00867	5.8
93.03447	19.2
99.04539	0.3
99.41565	0.3
109.02982	0.3
111.04512	4.6
113.02447	0.5
117.03391	0.3
118.82263	0.3
125.02498	0.3
128.58672	0.2
129.01962	1.0
134.03726	2.9
137.02441	0.5
138.85001	0.3
141.66910	0.3
149.06047	1.0
155.03531	1.1
173.04538	15.1
175.04031	0.6
191.05626	100.0
193.05049	8.9
205.05023	0.5
223.06075	0.4
258.34067	0.3
275.77399	0.3
311.37500	0.3
338.66699	0.3
367.10361	53.9
469.16974	0.4
931.42493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5805
Annotation	Unknow
Peak:m/z	Relative Intensity
111.47479	0.7
121.10226	12.1
123.88111	0.8
152.99547	0.8
155.10730	0.7
171.10263	19.4
172.59178	0.7
183.10313	6.4
183.13908	14.3
185.11842	1.1
211.13383	3.3
231.21211	3.7
235.17059	8.3
265.21680	0.9
275.20206	50.2
293.21255	100.0
391.24976	34.4
529.32452	0.7
819.85254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.263
Annotation	Unknow
Peak:m/z	Relative Intensity
78.35653	0.2
82.04247	0.3
96.31689	0.3
151.00333	2.3
178.99808	2.2
255.03001	3.0
271.02518	6.6
272.03229	0.7
275.92984	0.3
288.99207	0.3
299.01947	1.5
300.02774	100.0
301.03500	6.1
315.76456	0.3
589.38440	0.3
595.13135	65.0
798.85144	0.4
933.96631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13702	1.1
99.99076	1.1
112.64723	1.2
112.92954	1.2
113.02423	1.2
129.99876	1.1
135.04523	17.4
153.01939	5.3
168.04301	3.0
169.05099	2.0
232.48627	1.2
322.10977	1.9
325.12958	1.7
331.10690	1.7
340.11945	100.0
340.15567	18.7
344.96954	1.3
502.16901	43.7
629.70959	1.2
659.37708	1.9
730.77332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	1.2
69.03471	0.2
71.01377	1.5
83.05035	0.2
92.22376	0.2
93.03447	9.2
109.02934	0.3
111.00874	0.4
111.04518	2.6
117.03462	0.7
134.03732	7.9
137.02448	4.2
137.51106	0.2
140.62410	0.2
149.06088	1.8
155.03487	4.6
166.55769	0.2
173.04544	100.0
178.02670	0.2
191.05623	2.2
193.05058	18.5
273.08325	0.2
313.29004	0.2
367.10361	49.0
421.88834	0.2
919.58282	0.2
926.66431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.232
Annotation	Unknow
Peak:m/z	Relative Intensity
88.45258	0.2
93.03466	0.4
94.73483	0.2
108.02197	0.3
113.02460	0.3
115.25444	0.3
119.05104	0.4
137.02444	0.5
143.85561	0.3
151.00363	2.3
163.04057	1.9
173.04556	8.6
178.99908	2.1
191.05632	0.3
243.03104	0.4
254.02158	0.4
255.02994	3.4
271.02545	7.4
272.03336	1.2
299.02081	0.5
300.02795	100.0
301.03571	6.6
337.09360	1.8
343.04791	0.3
383.07932	0.3
595.13153	71.2
684.08038	0.3
933.30743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.232
Annotation	Unknow
Peak:m/z	Relative Intensity
88.45258	0.2
93.03466	0.4
94.73483	0.2
108.02197	0.3
113.02460	0.3
115.25444	0.3
119.05104	0.4
137.02444	0.5
143.85561	0.3
151.00363	2.3
163.04057	1.9
173.04556	8.6
178.99908	2.1
191.05632	0.3
243.03104	0.4
254.02158	0.4
255.02994	3.4
271.02545	7.4
272.03336	1.2
299.02081	0.5
300.02795	100.0
301.03571	6.6
337.09360	1.8
343.04791	0.3
383.07932	0.3
595.13153	71.2
684.08038	0.3
933.30743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67271	0.4
69.03452	0.4
71.01408	0.6
85.02939	4.4
95.38177	0.5
97.06577	3.0
127.11292	0.9
133.29681	0.5
137.09732	0.9
155.10735	0.5
165.12900	0.6
171.10255	11.0
177.12859	0.6
183.13893	3.6
185.11842	0.9
193.12413	0.6
201.11375	0.9
209.11826	0.9
211.13411	26.5
221.11852	4.3
229.14462	21.5
239.12881	3.9
260.00253	0.5
272.89008	0.4
291.19653	4.8
309.20972	0.6
327.21802	100.0
371.18857	0.4
496.15958	0.5
554.33698	0.5
813.26239	0.5
933.42755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51671	0.2
67.94701	0.2
69.03439	0.3
71.01377	0.3
83.05037	0.5
84.02173	0.3
85.02948	8.0
85.03426	0.4
97.02968	0.4
97.06573	2.8
110.06199	0.2
112.29873	0.2
125.09708	0.3
127.11269	0.4
137.09740	2.8
155.10794	0.3
165.12834	0.5
167.14413	0.6
171.10269	26.9
177.12828	1.1
181.12244	0.3
183.13922	2.6
185.11858	0.6
190.83676	0.2
193.12347	1.1
197.11836	0.3
199.13451	0.3
201.11311	1.6
201.21942	0.3
203.10735	0.3
209.11917	2.2
209.13680	0.3
211.13417	19.1
221.11839	3.5
227.12949	0.4
229.14464	16.8
239.12968	2.6
247.20665	0.5
273.18616	0.4
291.19714	4.9
309.20740	1.1
327.21805	100.0
651.30511	0.3
665.38477	0.3
892.76117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.595
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58190	0.5
69.09252	0.5
77.19685	0.4
90.68288	0.4
96.22889	0.5
109.06586	1.2
113.09712	12.2
123.01295	0.5
145.06818	0.5
152.99538	0.6
158.16302	0.5
167.10756	2.7
171.10271	2.9
179.10745	2.6
193.67801	0.5
195.13873	2.9
215.98131	0.5
249.22197	2.2
263.11349	12.6
277.21661	6.0
293.21246	100.0
295.22781	12.1
393.26437	4.0
403.68219	0.6
455.94159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13292	0.4
71.01376	0.4
96.96082	0.4
97.02937	7.0
99.04526	0.6
125.09772	0.7
148.49663	0.4
152.99594	0.7
159.33569	0.4
171.10274	25.3
172.44669	0.4
174.11818	0.4
174.37947	0.4
183.10292	2.4
223.93901	0.4
233.22742	0.7
251.23906	0.5
277.21750	100.0
293.21112	3.0
295.22803	83.0
359.13571	5.7
375.25458	4.3
409.23389	0.4
445.71231	0.5
536.91772	0.5
539.32343	0.5
637.35693	2.0
933.58990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75919	0.4
71.01399	1.9
73.02950	0.5
73.26327	0.6
74.91095	0.4
85.02946	0.8
87.64281	0.5
89.02428	0.7
96.96006	0.6
101.02443	2.3
113.02408	1.1
117.03477	0.7
121.02927	1.0
134.03737	27.1
135.04524	0.9
137.02458	0.8
148.96703	0.5
149.02425	1.1
149.06081	13.8
150.03232	10.6
153.32930	0.6
160.01602	5.8
161.04561	3.4
164.04909	0.7
165.05559	34.9
165.70979	0.5
175.03996	26.5
178.02702	15.3
178.04257	0.6
180.04285	1.1
192.04214	0.5
193.05064	85.8
195.06624	9.8
197.04619	0.8
205.06569	0.8
209.18622	0.6
234.06834	0.6
250.06377	2.5
265.08627	0.9
269.10367	2.6
282.08966	8.1
287.59167	0.6
297.11417	0.6
326.07922	0.7
341.10388	12.5
368.45575	0.6
386.83646	0.5
389.12430	10.8
401.14584	5.0
551.17883	8.1
577.19330	20.7
583.20520	0.9
584.20392	1.1
773.26685	100.0
926.89716	0.6
935.32080	4.9
960.09229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08770	0.5
111.08159	2.2
111.87519	0.5
113.88818	0.5
149.06087	0.9
151.00311	4.6
165.12846	50.1
181.12352	0.7
183.13905	100.0
209.11839	7.3
227.12895	30.3
241.87794	0.5
267.82831	0.5
268.03799	3.6
283.06152	17.7
284.03268	0.8
301.07236	14.0
301.16614	93.3
301.20071	4.9
545.67499	0.5
545.79596	0.6
828.40234	0.6
855.46973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.5
91.49340	0.5
97.06568	2.7
99.08147	4.9
101.02452	0.6
109.06612	0.6
125.06055	0.9
126.18713	0.5
127.11277	2.4
139.11304	8.6
143.07144	20.6
155.10788	4.0
157.12372	2.0
183.10254	12.7
201.11305	7.5
214.12442	1.0
265.18140	2.1
268.03720	0.8
283.06158	13.5
299.18631	3.0
300.19016	1.2
301.20224	100.0
408.17856	0.6
500.54880	0.6
891.49286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38824	0.4
74.54547	0.4
83.05020	2.1
85.02943	0.7
87.04491	0.9
90.84531	0.4
95.05028	2.5
97.06604	0.7
115.07626	1.0
116.44628	0.5
123.08127	0.9
125.06058	1.0
135.08144	0.8
163.11229	0.5
169.12315	0.5
171.10258	7.8
183.10176	0.5
185.11855	2.6
197.11833	1.0
199.13379	4.0
201.11317	7.3
205.05095	0.5
209.11838	12.8
211.13391	1.9
217.68317	0.5
223.13406	0.5
229.14424	2.2
237.14973	3.1
249.14986	1.8
255.16035	2.0
267.15918	0.7
268.03799	2.9
283.06134	17.6
289.18082	2.0
307.19055	1.8
325.20297	4.9
341.19675	1.7
342.20117	1.0
343.21274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15541	0.3
70.82657	0.3
71.05003	0.6
82.49643	0.4
83.05018	1.2
83.88185	0.3
85.02947	0.6
87.04460	0.4
92.22446	0.4
95.05009	1.6
109.06557	0.4
111.08166	0.3
116.29907	0.3
124.79783	0.3
125.09700	0.3
127.07606	0.4
135.08127	0.5
159.73074	0.3
171.10263	5.8
181.12360	0.6
183.10245	0.6
187.09875	0.4
197.11852	1.3
199.13428	2.5
201.11362	3.4
209.11748	2.6
211.13391	3.8
227.12968	0.5
229.14438	6.5
237.14986	3.3
245.19020	0.3
249.14995	2.6
262.34723	0.4
263.16718	0.3
267.16003	1.6
268.03793	2.6
279.86835	0.3
283.06137	14.6
285.17026	0.6
289.18118	2.1
307.19144	1.8
325.20367	2.5
341.19583	0.7
342.20001	1.2
343.21274	100.0
362.12720	0.3
431.41513	0.3
591.16589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	3.2
72.99296	1.1
73.02940	0.6
77.29031	0.7
77.33401	0.7
85.02956	0.9
89.02440	4.4
92.16064	0.8
97.02954	1.3
99.00864	1.5
101.02417	1.8
113.02451	1.1
119.03537	1.1
135.04485	0.7
144.21132	0.8
163.04164	0.8
163.11261	3.5
164.04805	5.1
166.02763	1.1
179.03574	1.2
179.07080	3.1
181.12340	23.5
190.02693	7.7
191.05614	0.9
196.30348	0.7
205.03262	1.5
205.05069	28.6
207.10263	40.6
208.03786	1.4
214.22610	0.9
222.05293	1.5
223.06137	6.9
225.11333	100.0
463.16083	4.8
469.17200	71.9
709.27094	3.3
740.36249	1.1
935.37225	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.6113
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01334	0.2
94.78214	0.3
117.54102	0.3
141.12857	0.5
155.10783	13.2
157.84503	0.3
160.50333	0.3
171.10286	0.3
188.98375	0.3
228.26114	0.3
241.21243	0.2
277.21738	11.3
279.23309	13.3
295.22919	0.6
297.24380	100.0
370.41232	0.3
389.84338	0.3
391.35205	0.3
471.80228	0.3
539.32483	0.6
639.02600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33338	0.5
71.01376	9.4
72.99300	2.4
89.02438	2.4
93.68193	0.5
115.00364	43.2
115.77896	0.5
117.13333	0.5
133.01428	100.0
147.97968	0.5
217.54559	0.5
228.39320	0.5
254.20338	0.7
275.64798	0.5
359.68402	0.5
384.48846	0.6
615.04291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80972	0.6
67.01913	1.0
69.03452	0.7
79.73582	0.6
87.00864	5.5
90.97850	0.5
93.03452	27.0
111.04507	5.4
119.21168	0.7
134.03696	2.4
143.70547	0.6
149.06062	0.6
173.04541	11.7
191.05630	100.0
193.05026	8.5
205.05112	3.0
336.52847	0.7
367.10361	60.5
485.16754	2.2
486.17090	0.8
492.20938	0.7
689.17822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.7
67.13702	0.7
71.01381	3.0
75.00858	1.4
85.02944	31.5
87.00881	7.6
89.02425	0.9
92.22495	0.8
93.03451	23.8
95.01366	0.9
97.88111	0.6
99.00858	1.8
103.00361	1.0
111.00906	1.1
111.04528	5.2
113.02442	9.3
119.05027	5.4
121.90862	0.7
126.10828	0.7
129.01930	4.4
134.03731	3.1
145.02962	3.7
147.02948	0.8
163.04018	12.0
173.04567	11.6
191.02034	8.8
191.05632	100.0
193.05058	9.2
209.03011	0.8
237.07387	0.7
249.06207	8.3
267.07248	21.5
276.49445	0.8
293.76590	0.7
327.98471	0.7
367.10391	57.3
368.10672	0.9
385.07877	12.2
413.10965	40.0
510.88156	0.7
616.90479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.4
85.02932	1.0
96.19510	1.0
101.02464	1.9
113.02477	1.1
121.02966	9.1
139.04027	1.4
153.05563	6.2
174.03334	1.2
175.59564	1.1
176.04762	4.1
188.04823	10.8
189.05547	16.2
191.07196	1.3
203.07133	6.7
254.11273	1.1
258.01859	1.8
309.07639	1.9
312.06180	1.2
324.10062	1.8
325.07169	4.9
326.07892	4.0
327.08917	2.4
340.09473	5.9
341.10397	11.8
342.11005	1.7
349.20203	1.3
353.06589	2.3
355.11899	3.9
357.13358	1.3
366.77203	1.2
379.54224	1.2
397.05701	6.0
411.07166	4.1
412.08044	5.5
427.10342	15.3
647.23492	6.1
673.21478	14.4
834.62323	1.4
937.33575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	1.5
71.64919	1.1
74.14817	1.2
89.02422	1.3
90.34326	1.3
102.79905	1.2
111.00915	2.1
113.02419	4.9
119.03455	1.5
121.02940	1.6
149.02446	13.8
149.06093	1.5
151.04083	1.4
153.01959	2.1
156.61497	1.1
163.04007	1.4
164.04793	85.9
166.02658	2.8
176.01071	1.7
177.05586	1.6
179.07144	72.2
180.04321	1.7
181.05005	1.5
183.06561	5.8
190.02765	1.8
191.03554	2.4
192.04308	1.3
195.06696	2.9
205.05052	10.4
208.03764	3.0
208.07596	1.4
222.05316	13.1
223.06125	14.5
237.07748	6.0
329.10355	2.3
359.14926	1.4
413.14511	18.8
463.16159	100.0
484.81488	1.6
560.71936	1.6
637.21716	16.6
715.26038	7.3
841.50153	1.5
877.31573	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02431	0.2
101.14491	0.1
115.16309	0.2
149.50800	0.2
164.04907	0.2
167.14417	10.8
167.15858	0.4
184.17058	1.4
190.02750	0.7
205.05101	3.4
210.15024	2.8
211.13420	20.8
223.06216	0.2
228.16055	100.0
229.14453	8.3
463.16116	0.3
469.17197	6.8
488.97940	0.2
519.26099	0.2
709.27100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.7
69.03458	0.3
71.01373	1.1
78.34081	0.1
81.03429	0.2
83.05045	0.2
85.02946	4.0
87.00870	4.9
93.03452	19.1
93.33733	0.2
99.00895	0.2
99.04507	0.3
103.48015	0.2
109.02958	0.2
111.04511	4.2
113.02446	0.9
127.04031	0.3
129.01949	1.3
134.03729	2.3
143.03508	0.2
145.02991	0.2
149.06036	0.4
155.03487	1.1
163.04053	0.7
173.04552	11.4
175.04010	1.0
191.05634	100.0
192.05946	0.2
193.05031	7.0
265.29404	0.2
267.07321	0.2
367.10385	61.4
385.07791	1.0
409.15222	0.3
413.10733	0.3
415.11392	0.3
493.45108	0.2
939.31982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.7
71.01379	1.4
72.96928	0.2
83.05033	0.3
91.21948	0.2
93.03451	9.2
104.47157	0.1
109.02933	0.2
111.00886	0.3
111.04498	2.8
113.02454	0.2
117.03468	0.8
118.62470	0.2
122.88729	0.2
130.26482	0.1
134.03738	8.4
137.02446	4.2
149.06050	2.1
155.03511	4.7
173.04546	100.0
175.84755	0.2
185.81404	0.2
191.05647	0.8
193.05066	18.1
297.90747	0.2
327.08722	0.2
367.10361	52.1
395.06796	0.2
421.16739	0.2
443.36438	0.2
886.44800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50839	0.4
71.01375	2.6
85.02969	0.7
86.77769	0.4
89.02422	1.7
90.74651	0.5
98.86811	0.5
101.02423	2.6
113.02431	2.1
124.20543	0.5
149.02393	1.0
152.01176	0.6
162.16020	0.5
163.03951	1.0
164.04794	7.9
175.00272	3.9
179.07140	2.0
190.02724	36.9
191.05568	0.7
205.05067	100.0
208.03789	3.0
209.04590	2.3
223.06129	10.8
251.05634	0.5
258.78552	0.5
439.12463	2.5
454.15173	2.5
469.17181	97.5
544.45526	0.5
560.90253	0.5
582.96014	0.6
754.80902	0.5
939.33698	0.9
939.64099	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	2.0
72.84243	0.3
73.02941	0.7
85.02481	0.3
85.02942	1.7
87.00894	0.4
89.02435	0.4
101.02460	2.8
101.06062	0.4
104.20533	0.3
107.17558	0.3
113.02435	2.2
135.04558	0.3
149.02417	1.8
152.01170	1.2
161.04514	0.5
163.03943	0.7
164.04796	9.0
175.00349	2.8
179.07182	1.9
190.02725	31.6
205.05066	86.9
207.02974	0.6
208.03795	2.9
209.04587	2.8
223.06125	10.5
225.26414	0.3
251.05650	0.5
396.57654	0.3
439.12399	1.9
454.15033	1.9
456.92145	0.3
469.17178	100.0
537.45435	0.3
752.57581	0.3
939.34302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
72.39059	1.8
73.85515	1.9
75.28978	1.8
78.95919	2.5
87.24529	2.2
87.68126	2.0
89.04292	2.5
105.46882	2.0
116.49236	2.2
128.84976	2.0
162.36255	2.1
303.23340	100.0
361.99216	2.4
416.22556	2.2
448.04468	2.5
625.55499	2.6
791.57947	2.7
939.53986	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33774	1.9
71.01380	13.3
73.02944	3.3
85.02962	4.5
89.02431	3.9
99.00910	3.2
101.02408	19.3
113.02453	14.9
119.20937	2.0
137.25230	2.2
143.03534	2.5
150.83235	2.1
161.04617	4.7
169.02728	2.1
185.43279	1.9
197.11856	2.8
206.66187	2.0
210.99243	2.0
223.80215	2.1
267.70276	2.3
279.25119	2.8
319.22781	43.9
325.20239	24.2
613.32428	100.0
678.27399	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.6
78.95899	27.4
85.02937	0.5
96.95991	0.4
96.96959	3.4
100.20396	0.4
113.02419	1.5
119.89179	0.4
152.43845	0.4
152.99579	100.0
171.00620	3.1
255.23282	3.0
279.23340	5.2
281.32611	0.4
409.23630	59.6
472.83905	0.4
529.30353	7.7
588.28174	0.4
885.14655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6431
Annotation	Unknow
Peak:m/z	Relative Intensity
75.90514	0.3
102.61729	0.3
104.61829	0.3
125.63513	0.3
130.08731	0.7
164.58075	0.3
181.84555	0.3
207.14938	0.3
225.16035	1.6
315.82401	0.3
338.24475	0.5
400.73328	0.3
492.91675	0.3
696.84070	0.3
787.42975	0.4
903.65637	0.6
939.64313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95994	0.4
67.01879	0.6
71.01384	2.1
77.85126	0.4
80.09993	0.4
93.03458	10.8
101.29351	0.4
109.24539	0.4
111.04501	2.7
113.02451	0.8
134.03745	3.2
137.02435	2.6
149.06082	7.6
151.04025	0.6
155.03545	4.0
173.04552	100.0
191.05655	2.0
193.05081	5.9
204.54617	0.4
232.07294	0.7
247.09749	0.8
291.08774	14.8
367.10562	1.0
451.19476	0.4
465.14078	52.8
475.57196	0.5
956.29059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	7.7
75.21799	1.2
85.02953	1.7
89.02438	6.7
93.81612	1.2
101.02431	7.0
113.02430	3.0
119.03487	1.6
123.52688	1.8
138.66846	1.2
143.40170	1.4
158.58910	1.6
164.04836	1.7
179.03503	1.7
187.06630	1.4
191.03522	1.9
203.10782	1.7
205.05080	3.0
205.06883	1.3
219.80986	1.5
223.06145	2.4
258.16223	8.6
291.99127	1.5
462.71799	1.4
469.17224	6.2
561.19836	2.6
567.20789	7.7
573.34515	3.1
666.32819	2.3
735.39972	1.9
761.37000	1.9
793.29376	3.3
891.33136	2.4
941.29895	100.0
941.46167	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02078	1.0
70.62118	1.1
89.02446	1.7
97.91263	1.4
110.41079	1.3
129.99178	1.3
131.63361	1.3
139.36810	1.2
144.71359	1.5
173.45097	1.2
184.14047	1.3
190.02597	1.9
191.03508	2.6
205.05037	2.7
260.28925	1.5
422.69928	1.5
469.17065	6.1
519.75342	1.4
561.19708	7.4
567.20386	2.8
730.49713	1.5
793.28485	2.3
807.31238	2.7
891.32281	2.4
941.31775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.5
69.03433	0.3
69.30839	0.2
71.01372	0.5
81.03450	0.4
83.05053	0.3
85.02924	0.8
87.00873	4.8
93.03449	20.1
99.00883	0.3
111.04514	4.2
127.04011	0.3
129.01936	1.5
133.87140	0.3
134.03720	2.6
141.14120	0.2
143.69075	0.2
149.06090	0.5
155.03442	1.0
165.05634	0.4
165.31207	0.2
173.04556	15.0
175.03969	0.6
191.05629	100.0
193.05040	7.1
367.10376	67.4
368.10852	0.3
393.61865	0.3
487.38733	0.3
902.30841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39051	0.5
70.52395	0.4
71.01392	4.7
71.04989	0.6
73.02942	1.0
75.66332	0.5
81.03466	0.7
85.02955	2.3
89.02451	0.8
92.22517	0.6
93.03454	0.8
99.00879	0.6
99.04507	4.0
100.48061	0.5
101.02431	3.7
113.02441	2.9
117.05592	0.7
132.74130	0.5
134.03745	10.6
137.02455	0.6
149.02411	3.5
149.06082	1.1
160.01630	13.0
161.04535	0.8
163.03923	0.6
164.04779	11.6
173.04573	8.7
175.00388	0.9
175.04002	52.3
179.07211	2.1
190.02730	29.0
191.05522	0.7
193.05070	17.0
205.05074	84.2
207.02983	0.6
208.03789	0.9
209.04504	1.1
223.06120	16.4
252.26756	0.5
257.09399	0.7
265.07181	0.6
339.85696	0.6
367.10471	7.1
455.15741	52.1
465.54462	0.6
470.14185	0.8
485.16733	100.0
550.39386	0.6
742.41669	0.6
743.12616	0.6
941.31952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.5
69.03433	0.3
69.30839	0.2
71.01372	0.5
81.03450	0.4
83.05053	0.3
85.02924	0.8
87.00873	4.8
93.03449	20.1
99.00883	0.3
111.04514	4.2
127.04011	0.3
129.01936	1.5
133.87140	0.3
134.03720	2.6
141.14120	0.2
143.69075	0.2
149.06090	0.5
155.03442	1.0
165.05634	0.4
165.31207	0.2
173.04556	15.0
175.03969	0.6
191.05629	100.0
193.05040	7.1
367.10376	67.4
368.10852	0.3
393.61865	0.3
487.38733	0.3
902.30841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	13.0
72.99297	1.4
79.90408	0.8
83.01383	1.7
85.02953	4.5
89.02438	15.9
92.22488	1.0
95.01414	0.9
99.00903	0.9
101.02439	15.6
113.02460	6.7
119.03489	7.7
150.03148	0.8
155.98865	0.8
163.74687	0.7
179.07237	1.1
191.05667	3.7
203.10783	1.8
223.06415	1.0
249.31879	0.9
249.71552	0.9
256.14639	4.0
257.15521	4.2
258.16257	21.3
271.17038	5.6
273.18655	1.2
284.17795	1.4
322.19449	1.3
324.21091	1.7
325.21774	4.7
326.22711	6.4
367.10495	3.9
393.28247	6.1
411.29144	10.3
443.58282	1.1
463.16705	1.4
502.25266	1.1
504.27396	35.8
572.33838	13.7
573.34454	34.5
703.89429	0.9
735.39716	38.1
779.38788	5.3
941.44110	100.0
963.62067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	9.6
73.02945	2.1
73.43004	1.4
76.56966	1.2
85.02952	2.4
89.02430	3.4
99.00864	2.2
101.02460	10.1
109.56652	1.4
111.08196	1.8
113.02456	7.0
129.09189	3.3
159.03125	1.5
161.04536	3.2
183.13899	1.6
185.11859	10.5
192.74950	1.6
193.73218	1.3
197.11873	21.5
199.13423	1.8
209.11835	20.9
209.15549	2.5
211.13524	3.0
225.14906	2.4
249.80084	1.4
251.16508	1.9
291.19696	1.9
299.20285	2.5
309.20847	2.1
319.22803	31.9
320.23218	6.7
321.23489	1.6
325.20468	1.7
327.21799	100.0
327.25723	3.3
457.42902	1.5
481.28030	2.1
532.67206	1.7
613.32355	53.4
614.32703	6.2
615.33203	11.3
630.74121	1.7
945.67529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02419	2.0
71.01381	20.1
71.65740	1.6
73.02945	2.6
82.80560	1.7
83.70441	1.6
85.02951	2.5
87.00842	2.4
89.02436	32.3
95.01378	2.1
97.02962	2.5
101.02429	24.3
111.49590	1.7
113.02416	7.9
113.09711	25.0
119.03516	8.9
125.02438	8.3
131.03427	2.6
139.11340	3.3
143.03531	2.6
161.04555	3.9
214.56219	1.9
217.41594	1.9
217.44418	1.9
221.19162	7.9
235.08205	8.7
247.17039	2.1
265.15341	2.4
265.18115	55.9
277.21744	80.1
287.07907	1.8
305.08737	2.1
397.13541	100.0
410.37552	2.1
415.14767	27.0
675.36096	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.0
74.77177	0.7
83.01432	0.6
89.02442	5.2
97.02937	3.0
101.02448	3.5
113.02428	3.0
119.03503	3.5
149.02417	1.5
164.04797	10.0
176.01160	2.7
179.07187	3.3
181.05266	0.7
188.04730	0.9
190.02721	7.9
191.03529	13.0
203.07172	1.2
203.49535	0.6
205.05072	24.8
206.05888	9.1
207.02893	0.6
208.03688	1.3
221.08214	20.6
222.05457	0.8
223.06126	35.6
228.78894	0.7
237.07716	9.2
250.04788	4.2
265.07199	47.5
277.09274	3.4
284.03333	1.1
285.03442	1.1
295.08310	4.2
299.05649	4.8
300.05969	1.2
325.09384	4.7
385.11426	3.9
411.26923	0.6
468.13199	1.1
483.15143	100.0
503.43704	0.8
608.17249	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90607	0.1
71.01378	1.9
73.02946	1.5
74.89496	0.1
83.01384	0.7
85.02931	1.5
86.00065	0.2
89.02436	0.2
95.01400	0.2
99.00864	0.7
101.02430	3.9
113.02438	1.8
122.72108	0.1
159.02991	0.2
161.04575	0.3
165.26904	0.1
190.47972	0.1
192.98039	0.1
238.42464	0.1
259.75861	0.1
264.08743	0.1
289.21756	0.6
333.20749	1.1
429.88699	0.2
447.22458	0.2
495.26035	100.0
549.17206	0.1
776.12988	0.2
776.78888	0.1
943.50366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89107	3.6
79.65347	4.2
89.07538	4.9
130.42580	6.1
149.02448	6.8
152.16989	5.1
154.96461	4.5
164.04776	64.5
179.07193	7.1
183.13753	5.1
187.49126	4.8
205.05122	11.5
208.07309	5.6
223.06160	100.0
327.21848	20.7
544.05579	5.3
552.63287	5.0
615.26605	92.1
731.29761	5.8
848.88977	6.6
943.36469	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	17.0
71.67957	0.7
72.78703	0.7
72.99323	0.8
73.02937	3.7
81.03446	0.8
83.01386	3.0
85.02940	4.8
87.00879	5.0
89.02433	24.6
89.54473	0.7
90.75999	0.6
93.85141	0.7
97.02940	3.4
99.00873	1.4
101.02431	23.2
110.94305	0.8
113.02425	13.9
119.03505	8.3
125.02432	8.3
133.05058	1.5
143.03520	3.4
149.09666	3.1
157.14450	0.8
161.04547	5.7
167.10765	35.7
173.01839	0.7
179.05583	4.0
205.21306	1.0
221.06606	1.2
235.08205	8.0
249.18594	29.0
253.09312	1.0
267.19662	89.3
275.19995	0.8
277.21732	70.2
287.07886	1.0
305.08716	1.5
397.13538	100.0
415.14578	28.0
675.36053	82.5
885.69336	0.9
943.47260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	19.1
73.02962	3.9
74.22794	1.6
81.03432	1.7
85.02938	2.6
87.00873	2.2
87.80067	1.8
89.02442	33.1
97.02950	3.0
99.00851	2.0
101.02439	23.1
113.02439	11.1
119.03488	6.5
125.02437	8.1
143.07140	11.2
161.04543	3.8
172.42653	1.6
179.05640	2.7
195.28297	1.8
207.47391	1.9
235.08179	3.8
249.18665	14.3
267.19702	29.0
277.21744	75.4
283.60468	1.5
386.29205	3.6
387.29282	6.1
397.13556	100.0
400.42465	1.5
415.14673	25.4
472.35144	1.6
490.40298	2.0
675.36108	88.2
792.66718	2.3
872.38831	2.1
875.46820	2.2
917.36847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	2.2
71.80643	0.3
73.02942	0.5
85.02960	2.1
87.61361	0.3
89.02431	0.8
99.00835	0.4
101.02454	2.4
113.02444	23.7
119.03513	0.6
143.03574	0.4
145.03009	0.7
147.04509	0.5
149.02428	3.0
152.01144	0.6
163.04022	0.8
164.04805	9.3
166.77650	0.4
169.04985	0.6
175.00371	3.1
179.07162	1.6
190.02733	34.6
205.05074	100.0
207.03087	0.5
208.03680	2.8
209.04556	2.0
223.06148	10.9
251.05754	0.6
364.64517	0.4
439.12680	1.8
454.14963	1.5
469.17191	90.5
474.12561	4.4
943.68353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18082	0.5
79.44352	0.5
81.03447	2.1
83.05034	3.2
91.77193	0.4
93.03460	2.4
109.02956	1.0
111.04510	36.5
120.63881	0.5
127.04007	100.0
134.03737	1.0
137.02434	6.2
155.03500	75.6
193.05066	4.0
199.02498	66.5
217.03583	1.0
261.60376	0.6
393.08340	34.8
426.50076	0.5
457.33914	0.6
748.89960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	4.6
69.03435	0.8
71.01381	1.2
77.34570	0.7
81.03484	1.3
83.05064	1.1
87.00877	12.6
93.02859	1.7
93.03450	51.7
111.04531	13.3
129.01915	0.9
147.05640	0.8
149.06090	1.3
155.03479	1.2
173.01436	0.8
173.04553	34.9
187.18919	0.9
191.05632	9.6
193.05081	12.4
240.19606	0.7
269.27084	1.1
529.15680	100.0
545.38855	1.1
591.68292	1.0
835.08411	0.8
870.71594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
107.26527	2.1
121.52094	2.5
137.47462	2.3
149.02403	9.3
164.04791	87.0
175.00359	4.9
179.07156	88.8
190.02731	53.4
191.03520	2.7
205.05063	72.3
208.03725	4.3
222.05446	2.8
223.06125	21.7
297.09818	87.4
339.11053	4.1
346.22964	2.6
471.37115	2.4
751.26288	100.0
769.27350	11.1
811.28326	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65453	8.4
74.87083	8.5
157.32542	8.2
164.04773	54.7
165.34361	8.7
179.07118	48.7
190.02679	13.4
205.04990	19.1
297.09927	100.0
751.25854	37.8
811.27582	35.0
945.35492	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	16.8
71.05020	3.3
79.02254	1.7
85.02936	2.6
87.00883	3.3
89.02429	27.0
89.65839	1.9
97.02941	3.1
101.02448	18.8
113.02464	9.4
119.03479	3.6
125.02436	7.6
125.09748	2.1
137.09755	9.7
138.04543	1.8
140.02562	2.1
171.10298	30.8
179.05632	2.2
185.11868	9.9
221.06609	2.6
235.08197	3.3
251.16476	15.8
255.23308	73.4
291.19708	39.0
309.20743	100.0
309.24310	4.5
388.77670	2.1
397.13596	51.7
415.14676	9.2
425.45642	2.6
547.43781	3.3
635.36761	3.0
653.37708	31.6
689.33765	21.3
707.34711	10.5
945.58044	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21908	3.8
71.01386	19.7
85.02926	4.3
87.00858	3.4
89.02441	28.2
101.02448	8.0
103.30693	3.4
113.02470	6.1
119.03494	5.0
135.57153	3.8
171.10266	19.5
181.19424	3.9
183.10217	26.3
239.16516	7.6
251.16533	7.9
255.23329	82.9
291.19638	25.9
309.20773	100.0
333.09219	4.0
397.13553	47.8
415.14713	14.6
646.91406	4.0
653.38147	34.5
659.19110	4.1
689.33984	21.0
707.35596	5.7
741.92023	4.7
945.58423	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	19.0
72.99295	1.0
73.02940	3.0
74.81770	0.7
75.64093	0.7
80.55505	0.7
81.03452	0.8
83.01390	3.4
85.02959	3.2
87.00864	4.1
89.02436	28.3
95.01326	0.9
97.02939	3.3
101.02444	22.3
102.13995	0.8
113.02458	10.9
119.03491	5.8
123.00943	0.8
125.02407	9.8
133.05060	1.0
143.03421	1.5
161.04538	4.1
179.05614	3.1
221.06664	1.5
235.08250	7.7
260.55804	1.0
267.19675	73.8
279.23315	100.0
302.12286	0.9
305.08795	1.5
318.71796	0.9
397.13544	97.7
415.14597	26.3
677.37628	82.4
791.46954	0.9
797.94550	0.9
821.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93108	1.8
71.01385	24.3
84.47047	2.0
85.02950	3.1
87.00887	3.4
89.02444	29.4
97.02956	2.5
101.02447	23.0
102.89765	2.0
110.28371	2.1
113.02471	16.8
119.03492	3.9
125.02422	9.1
139.19630	2.1
161.04561	4.2
210.15642	2.3
221.06566	2.8
235.08224	10.1
251.20169	2.7
268.10269	2.3
269.21231	71.3
277.21750	100.0
397.13550	98.4
415.14719	31.4
647.46057	2.1
675.36060	96.0
916.19080	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96532	2.7
71.01388	27.5
79.54709	2.7
83.17087	3.0
85.18343	2.8
87.00867	5.0
88.86893	2.6
89.02425	29.5
91.46936	2.8
97.02943	5.3
101.02454	26.3
113.02429	13.4
113.47695	2.9
115.89095	3.2
119.03477	6.5
125.02406	5.5
133.20825	2.7
150.01166	4.5
179.05643	4.7
183.10312	17.1
183.13878	21.9
235.08260	4.8
235.17035	14.4
253.21742	96.3
265.10028	3.2
275.20148	24.5
293.21277	91.6
391.78369	3.5
397.13538	88.0
415.14529	20.0
457.72281	3.7
469.05008	3.2
517.15759	3.4
517.23303	3.6
583.99164	3.2
651.36078	100.0
722.99127	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
76.48701	0.5
82.55298	0.4
99.52477	0.4
121.58136	0.5
151.00339	3.1
159.48836	0.4
178.99870	2.5
191.05591	0.7
213.06659	0.6
237.38351	0.4
255.03012	2.8
271.02570	6.2
272.03275	0.5
283.02563	0.5
300.02771	100.0
301.03574	27.1
343.04886	0.6
609.14703	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
84.38540	1.3
111.46819	1.2
149.02431	5.8
164.04785	20.3
172.69226	1.3
179.06999	1.6
179.78642	1.2
208.03816	1.7
223.06107	21.6
264.25641	1.3
307.91141	1.4
308.05658	100.0
322.06888	1.6
323.08026	52.5
338.10379	99.3
377.43402	1.6
607.20361	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.7
84.57471	1.0
87.97894	0.8
89.02446	1.5
99.80862	0.9
101.02459	1.1
114.93307	1.1
149.02411	7.3
160.01711	1.4
164.04779	19.8
173.04428	1.0
175.00293	2.3
176.01161	1.0
177.01930	46.0
179.07140	5.8
188.76631	1.1
190.02730	30.9
191.03505	5.3
192.04283	27.2
193.05049	1.3
205.05064	52.0
206.05904	11.1
207.03160	1.2
207.06598	1.2
208.03731	4.4
221.08206	16.0
223.06129	43.3
225.07693	4.0
237.07671	4.6
247.06117	1.2
250.04770	2.0
265.07190	29.7
294.88568	1.0
295.08279	5.7
325.09348	6.4
385.11783	7.2
593.09137	1.8
593.18811	71.0
611.19855	100.0
927.26984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.672
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26305	0.5
95.05040	0.7
96.95937	0.6
98.13664	0.5
112.07683	9.3
113.06072	2.6
122.10073	0.5
129.10303	4.0
130.08716	10.7
148.21852	0.6
154.94460	0.5
178.15178	0.6
181.05107	2.3
182.05466	0.8
207.15057	4.0
208.13396	1.1
224.17656	2.3
225.13939	1.3
225.16095	28.8
282.50345	0.6
320.23520	2.6
337.26099	3.3
338.24506	10.4
344.76837	0.6
410.68478	0.7
433.31824	2.2
450.34601	3.1
451.32974	5.1
546.40405	1.3
563.42950	1.2
564.41882	3.4
596.69263	0.6
659.48785	1.0
676.51447	1.0
677.49475	1.0
678.24792	0.8
772.24933	0.9
885.65393	3.7
903.66638	100.0
946.67334	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76506	0.5
71.41808	0.5
74.79507	0.4
85.02924	0.7
108.02238	0.5
119.05054	1.0
151.00403	4.0
152.01105	0.8
163.03960	0.8
173.04581	3.9
178.99812	3.9
191.05577	1.2
193.05107	0.7
255.03033	3.8
271.02521	5.5
272.03040	0.8
283.02621	0.6
300.02780	98.6
301.03571	36.5
301.06982	1.3
337.09149	0.7
413.10934	0.8
609.14728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	36.1
76.61301	0.5
82.73241	0.5
95.75271	0.5
110.75156	0.5
117.27592	0.6
123.04515	8.9
128.38885	0.6
135.04538	13.1
135.56990	0.6
151.03978	1.0
179.01909	1.2
179.03513	46.0
197.04578	100.0
199.39810	0.6
215.05656	0.6
224.28879	0.6
310.86014	0.6
359.09958	14.2
391.09393	0.6
457.13605	86.8
466.25345	0.6
556.44385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63115	0.4
76.29467	0.4
78.95899	29.4
89.50884	0.4
95.80745	0.4
96.96947	1.8
122.62231	0.5
152.99580	100.0
171.00616	3.4
176.66620	0.5
279.23370	2.9
392.40100	0.5
433.23618	62.2
607.64996	0.5
636.96521	0.5
976.71906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01435	0.4
78.95899	28.8
84.15047	0.4
96.96941	3.1
111.03308	0.4
115.44495	0.4
118.69379	0.4
144.22487	0.4
152.99583	100.0
163.68532	0.4
166.03345	0.5
170.81046	0.4
171.00664	2.5
186.96628	0.5
194.97531	0.4
279.23279	3.6
433.23624	56.4
559.30859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	2.4
83.05008	1.2
83.90128	1.0
86.44221	1.1
89.02495	0.9
97.06557	2.4
111.08153	8.1
127.10496	1.0
135.18080	1.0
137.09683	4.5
177.12872	1.8
185.11888	1.3
195.13914	4.0
197.11926	1.9
235.17065	5.8
247.20644	1.9
263.11423	10.5
273.18567	1.5
275.20099	9.5
291.19690	100.0
293.21268	9.5
309.20740	13.6
329.45822	1.2
621.47797	1.2
947.49133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	15.0
72.99304	0.6
73.02940	3.0
75.00865	0.5
81.03450	0.6
83.01379	1.9
85.02970	3.9
87.00871	3.3
89.02439	24.2
95.01405	0.6
96.68820	0.6
97.02957	3.2
99.00870	0.8
101.02445	20.8
109.06591	0.8
113.02439	10.1
113.09716	10.1
119.03477	7.3
125.02427	6.7
131.03467	0.7
133.05048	0.7
135.11731	0.8
135.60437	0.5
136.54556	0.5
139.04010	0.8
141.02040	0.5
143.03545	2.4
161.04550	3.7
167.10744	1.3
179.05595	2.9
179.10747	1.2
185.04675	1.0
195.13916	2.2
203.05612	0.6
205.17468	0.5
214.84857	0.6
235.08171	7.1
239.73038	0.7
249.22261	1.3
255.23320	74.6
269.24673	0.6
293.21255	69.9
305.08862	2.8
397.13544	79.6
405.35571	0.6
415.14679	18.0
653.37646	100.0
689.96484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65032	0.7
78.95901	3.5
107.92569	0.7
122.96526	0.7
140.01146	4.1
142.17888	0.8
152.99609	1.4
196.03815	8.0
214.04829	1.2
255.23309	100.0
295.69409	0.7
452.27872	60.1
578.05933	0.9
653.38348	1.3
807.01624	1.0
828.63855	0.9
947.60931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08254	0.2
67.90288	0.2
84.86812	0.2
87.64703	0.3
88.83674	0.3
93.03443	0.6
97.46445	0.2
109.73425	0.3
135.04530	2.8
151.00352	1.9
153.77090	0.3
155.03661	0.3
171.44440	0.3
173.04565	8.5
178.99904	2.2
179.03508	5.6
191.05644	3.6
193.34727	0.3
243.02809	0.5
255.02988	4.2
271.02530	6.2
272.03293	0.6
299.01929	0.6
300.02777	100.0
301.03574	7.8
353.08783	7.3
531.74097	0.3
595.13135	73.0
671.89081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.3
67.87021	0.1
69.03456	0.2
71.01378	1.5
83.05037	0.3
87.00899	0.2
91.14366	0.2
93.03451	9.5
109.02952	0.2
111.00903	0.3
111.04517	3.5
113.02441	0.2
117.03470	0.7
129.90614	0.2
134.03752	8.7
137.02449	5.1
149.06105	2.0
155.03506	4.5
173.04556	100.0
191.05620	3.0
193.05072	18.6
220.91066	0.2
367.10382	51.9
385.43555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.7
69.03461	0.2
71.01371	1.1
81.03453	0.3
83.04971	0.2
85.02949	1.1
87.00867	5.3
93.03448	20.3
99.00881	0.3
99.04536	0.2
111.04510	4.7
113.02434	0.4
117.03387	0.2
129.01927	1.2
134.03703	2.6
134.95816	0.2
143.03497	0.4
149.06052	0.3
155.03511	1.2
170.07149	0.2
173.04550	11.2
175.04015	1.2
191.05627	100.0
193.05058	7.4
301.21429	0.2
314.10077	0.3
367.10367	60.5
483.66827	0.2
600.87207	0.3
872.15778	0.2
968.47284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.5
73.02945	5.7
79.09042	0.7
82.38103	0.9
83.01364	1.0
84.09413	0.7
89.02455	1.4
91.34332	0.9
100.61262	1.0
101.02444	5.7
113.02419	1.1
119.03558	1.1
133.02919	1.5
134.03787	7.2
136.01651	2.0
147.04520	1.2
149.02443	1.0
149.06091	1.0
153.05539	1.4
160.01637	19.0
161.04568	1.0
164.04846	9.1
175.04004	72.2
179.07019	0.9
192.04201	1.8
193.05086	9.9
205.04967	1.2
223.06119	10.7
223.13435	0.9
235.13312	1.0
247.07181	0.8
308.05649	4.5
309.06052	1.9
310.06290	1.6
315.07651	0.9
323.08069	1.4
338.10422	1.3
339.10782	1.9
341.19763	4.2
357.19217	1.2
361.80090	1.0
481.17212	100.0
607.20203	8.1
645.93561	1.1
679.00055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01007	1.2
71.01379	20.4
73.02953	4.4
81.03469	0.8
83.01385	2.8
85.02951	3.6
87.00864	3.8
88.99905	0.6
89.02440	31.9
95.01392	0.7
97.02935	4.2
101.02444	27.9
103.04012	0.7
104.36943	0.5
113.02448	11.8
113.09715	1.1
115.03999	0.6
119.03499	7.9
125.02442	7.9
143.03510	3.2
149.04637	0.6
161.04555	5.3
166.42799	0.5
169.05081	0.7
171.10269	11.9
179.05618	2.3
185.04543	1.0
188.26048	0.8
221.06740	2.4
235.08232	8.5
253.09259	1.0
255.23308	89.8
256.23730	4.4
257.24020	1.3
263.07623	0.9
277.21771	14.1
281.88550	0.7
287.07669	0.9
293.21353	6.8
294.21619	3.8
295.22794	20.4
296.90799	0.6
305.08926	2.6
397.13544	79.0
398.13824	5.7
399.14017	2.7
415.14685	17.8
416.15073	0.7
653.37659	100.0
654.37994	8.0
655.38354	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.7
71.01372	17.1
73.02933	2.6
83.01395	1.3
85.02931	3.8
87.00882	4.4
89.02435	25.4
92.10161	0.8
92.23125	0.9
95.01405	1.2
97.02947	4.7
99.00884	0.7
101.02435	21.5
111.04542	0.8
113.02446	11.6
115.00250	0.6
119.03487	6.2
121.14192	0.6
125.02442	8.7
131.03464	0.9
133.05031	1.0
139.04070	0.8
141.02040	0.6
143.03448	2.5
152.17149	0.6
161.04576	3.1
179.05612	1.4
185.04631	0.7
197.65912	0.6
221.06693	1.0
225.22194	0.6
235.08180	6.6
271.22791	78.7
279.23291	100.0
287.07684	2.3
297.06427	0.6
305.08752	3.3
397.13538	83.9
415.14590	20.1
627.39227	0.7
677.37573	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93040	0.4
71.01373	8.6
72.99294	0.4
73.02914	2.0
81.03471	0.5
82.33163	0.3
83.01382	0.9
85.02958	1.6
87.00871	2.8
89.02435	14.4
95.01367	0.8
97.02933	2.1
100.92995	0.3
101.02436	11.5
113.02441	5.6
113.09684	0.7
119.03465	3.3
125.02424	4.0
143.03499	2.2
161.04556	0.9
177.93344	0.4
179.05571	0.9
195.13908	18.3
235.08231	3.7
251.23715	0.4
253.09151	0.5
255.23306	42.7
263.07892	0.4
277.21747	20.2
287.07977	0.7
291.99844	0.4
292.59985	0.4
295.22806	100.0
305.08871	0.7
326.48151	0.4
382.83670	0.4
397.13528	38.4
415.14566	8.0
493.46625	0.4
653.37665	51.1
811.69971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.612
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70182	1.4
71.01379	16.0
73.02934	2.2
78.21521	1.4
85.02939	2.6
86.88839	1.8
87.00855	16.7
87.04500	1.7
89.02438	22.5
92.22411	2.5
97.02932	2.6
101.02426	25.2
112.09824	1.7
113.02451	16.1
119.03481	3.7
125.02444	13.9
140.49712	1.8
143.03487	4.2
157.08693	23.3
161.04553	4.0
162.90523	1.6
179.05566	3.3
186.22214	2.1
191.80775	1.7
195.13818	2.4
203.48460	1.7
235.08202	9.5
253.09349	3.0
255.23314	100.0
263.31839	1.9
269.25000	2.3
277.21790	33.4
291.19760	8.5
293.17862	7.9
293.21051	3.2
295.22858	44.2
305.09018	2.9
397.13528	84.5
415.14645	29.3
452.30353	2.0
517.07556	1.9
575.14844	2.0
653.37634	84.3
745.50031	2.1
764.86823	2.1
949.46887	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.0
71.01375	14.8
71.51880	1.3
76.65232	1.5
85.02970	2.1
87.00879	15.8
89.02441	20.1
89.44049	1.3
92.23083	1.8
96.96000	5.8
101.02428	16.3
101.99583	1.5
102.76727	1.7
107.08628	10.4
113.02440	9.7
119.03487	8.6
125.02364	1.8
131.03535	1.6
143.03511	1.8
155.10809	1.9
161.04526	2.5
171.03543	1.5
171.10211	13.3
179.05684	4.8
183.10301	28.8
183.33345	1.6
221.06702	5.9
221.15439	14.6
239.16498	10.8
251.16692	2.2
273.18607	1.8
291.19623	7.5
309.20755	100.0
323.09537	1.6
331.17581	11.1
369.66080	1.7
389.23358	3.0
452.87753	1.9
474.01651	1.7
641.31635	71.4
752.76740	2.1
764.77124	2.2
886.66962	1.8
951.53253	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.2
71.01373	16.8
73.02937	3.9
81.03464	1.0
83.01379	1.7
85.02950	4.8
87.00876	3.9
89.02438	16.8
97.02908	3.1
101.02440	18.5
103.31485	0.7
113.02441	9.3
117.55910	0.7
119.03461	3.4
121.10213	1.6
125.02422	6.0
131.03503	1.0
132.78253	0.8
133.05077	1.3
143.03499	3.4
149.04514	0.8
161.04521	3.3
171.10284	8.1
179.05679	3.4
183.13878	12.3
206.68420	0.9
211.13443	2.9
221.06723	1.0
231.21181	1.2
235.08218	6.2
235.17015	15.0
267.75354	0.8
275.20166	27.8
277.18637	1.7
277.21735	74.7
293.21262	100.0
305.08850	1.6
354.76071	0.7
365.20767	0.9
379.12384	11.9
397.13547	49.9
415.14548	9.1
465.16321	0.8
529.62109	0.8
551.23578	1.1
621.99036	0.8
655.33051	5.7
657.35101	10.8
673.34509	20.6
675.36005	19.9
676.89783	1.0
691.35669	9.7
822.73132	1.0
927.30011	0.9
951.56451	8.5
983.41449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	27.7
90.27739	0.2
94.23317	0.2
95.65965	0.3
96.96941	2.9
100.53718	0.2
121.91830	0.3
121.98782	0.3
150.98026	1.1
152.99585	100.0
171.00641	2.6
281.24814	2.4
435.25211	57.0
520.91339	0.2
582.69122	0.3
606.77948	0.3
639.95306	0.3
882.48950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31844	0.6
74.67413	0.5
78.95897	28.5
92.23092	0.7
96.96947	3.9
123.86225	0.6
152.99577	100.0
169.36124	0.6
171.00621	3.0
172.89549	0.6
181.44608	0.5
192.18376	0.6
239.18523	0.6
281.24869	2.9
297.24435	0.8
435.25192	57.7
653.40265	1.4
720.59863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03010	0.2
78.49490	0.2
78.95903	31.4
92.23048	0.2
96.96945	3.1
110.77934	0.2
112.96410	0.2
150.98030	1.3
152.88298	0.2
152.99588	100.0
171.00665	2.9
174.86520	0.2
279.23349	2.4
433.23648	63.0
617.22638	0.2
952.56689	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66473	0.6
78.95901	28.5
84.70579	0.5
86.56408	0.5
88.78018	0.5
96.96942	3.3
122.39693	0.5
138.72586	0.5
145.23396	0.6
147.87100	0.6
150.97989	0.9
152.99585	100.0
171.00644	3.0
199.01555	0.5
279.23215	2.3
433.23645	56.9
613.25922	0.7
714.53717	0.8
810.45508	0.7
892.30804	0.6
952.56830	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	30.6
96.96942	3.7
121.46600	0.3
150.98004	0.7
152.99585	100.0
171.00644	2.8
211.56285	0.4
271.70514	0.4
279.23306	2.2
331.94070	0.5
433.23648	59.2
622.04736	0.5
667.05963	0.5
715.02747	0.5
723.24121	0.4
952.56915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	7.1
71.23368	0.5
76.14198	0.5
79.05536	0.8
81.03474	0.7
83.05036	1.2
95.04996	4.9
97.06580	25.8
105.03472	0.6
106.04205	1.2
107.05015	4.9
111.08159	1.1
121.06593	8.0
123.08125	3.6
133.06592	1.3
135.08165	39.8
137.09744	2.4
149.09712	6.0
161.09706	7.3
177.12848	26.9
177.14330	1.3
179.07170	1.4
179.10748	2.5
205.08723	0.8
215.14346	0.6
221.11848	12.2
232.56696	0.5
233.15471	0.7
259.13315	1.2
268.01123	1.2
268.03784	22.7
277.14462	100.0
283.06143	93.9
654.79840	0.7
675.18811	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.0
72.98636	0.7
89.10698	0.7
93.03442	0.8
95.88700	0.7
98.02975	0.9
113.91005	0.8
122.03723	1.0
131.77419	0.9
133.02859	1.0
138.29588	0.7
146.28894	0.9
149.01472	0.8
149.02449	9.9
150.03223	23.7
163.04022	1.6
164.04778	15.1
165.05562	30.9
175.00331	4.3
175.03967	1.0
175.12729	0.9
176.01218	1.0
179.07127	5.0
180.04230	3.2
190.02731	35.9
191.03534	6.6
191.05264	0.9
193.09677	0.9
195.06596	1.2
205.05064	52.1
208.03751	1.7
209.04500	1.2
223.06129	12.8
242.55263	0.9
257.98468	1.1
265.07181	0.8
278.71530	0.9
280.68723	0.8
427.15286	0.8
506.17990	1.1
521.20050	1.4
589.21777	1.1
704.59888	0.9
725.24933	3.5
727.25507	1.6
756.26855	5.8
905.32391	5.3
935.33325	4.1
953.34448	100.0
954.26953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83617	1.2
88.90164	1.1
92.22511	2.7
96.95992	1.5
99.73586	1.1
110.43162	1.3
149.02417	9.5
149.06050	1.4
153.02110	1.4
164.04793	74.6
166.02711	5.2
178.06314	2.6
179.07143	65.3
180.07439	1.6
183.06596	6.1
191.50342	1.3
193.17758	1.5
195.06630	2.0
205.05020	7.1
208.03806	1.7
222.05296	10.4
223.06087	23.9
237.07594	3.3
258.41089	1.3
297.23318	1.3
329.10504	1.9
344.12772	1.9
359.14792	1.7
463.16183	100.0
464.16528	6.8
465.16779	5.4
474.75357	1.6
500.51508	1.7
627.12598	1.6
653.28259	34.8
893.38184	13.3
970.05426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
81.80734	0.2
121.02939	0.6
126.83601	0.2
149.04895	0.4
171.10225	0.6
189.05515	0.3
211.13420	3.1
211.59679	0.3
213.88858	0.3
229.14526	2.0
251.03647	0.8
267.06625	3.4
268.07379	0.4
270.11237	1.7
282.09000	18.7
283.09808	9.6
293.04547	1.0
296.10574	6.2
297.11340	51.3
308.06873	0.6
309.07697	0.3
323.09232	1.2
325.09756	0.4
326.10358	1.5
329.23376	7.8
338.10410	1.1
352.08298	0.8
352.12115	1.4
430.06793	0.3
430.12979	17.5
445.15344	29.1
446.15738	0.5
460.17688	22.6
486.15460	1.7
623.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
76.34032	0.3
78.95894	6.7
120.57623	0.4
122.76897	0.4
125.00070	2.3
147.93040	0.5
152.99588	10.3
153.99916	0.6
155.00008	0.5
171.00539	0.6
181.02733	7.6
199.03784	1.8
210.02393	0.4
231.20061	0.4
255.23312	100.0
434.73267	0.5
435.25217	1.6
436.25601	2.2
437.26776	50.9
569.96545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.6216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.5
78.95919	0.4
81.03458	1.5
83.05016	7.7
93.03447	59.0
96.02135	0.4
102.23357	0.4
103.81135	0.4
109.02959	0.7
111.04510	36.1
129.98050	0.4
137.02437	40.1
152.99568	4.2
155.03497	100.0
167.32613	0.5
272.42783	0.4
279.23254	2.6
287.82202	0.4
357.59140	0.5
435.27695	10.2
597.11066	0.4
613.82880	0.5
781.21967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.6364
Annotation	Unknow
Peak:m/z	Relative Intensity
85.29764	0.3
103.18558	0.4
171.10248	0.4
203.57742	0.4
231.21175	0.5
251.20110	0.4
279.23325	16.7
285.25815	2.8
294.07230	0.4
311.22354	0.9
321.67734	0.5
329.24905	100.0
450.00616	0.4
454.76523	0.4
650.92859	0.5
725.11371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.6
73.02938	0.5
73.46574	0.3
77.88393	0.3
89.02426	5.5
97.02933	3.0
101.02448	3.0
113.02446	4.1
119.03495	2.6
137.02371	0.5
140.84639	0.4
143.03546	0.4
149.02449	1.5
150.03278	0.7
164.04796	8.0
173.04596	0.5
176.01155	2.6
178.06357	0.5
179.07167	4.8
188.04836	0.7
189.02077	0.4
190.02750	8.5
191.03532	9.1
196.97589	0.4
203.07173	0.9
205.05077	25.9
206.05856	9.4
207.02940	0.4
208.03802	2.6
209.04604	0.7
210.57687	0.4
221.08200	19.4
222.05376	1.4
223.06123	31.6
234.27072	0.4
237.07698	10.3
247.06203	0.5
250.04852	3.8
255.02620	0.4
265.07190	43.2
277.09351	2.2
287.10620	0.4
294.60678	0.4
295.08310	4.8
325.09448	5.0
378.77609	0.4
385.11664	3.7
468.12708	0.5
483.15152	100.0
642.52850	0.5
955.28381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	3.0
82.45630	0.5
82.74955	0.5
84.28977	0.5
85.02950	0.7
89.02461	3.9
96.96019	0.6
99.27914	0.5
101.02434	3.0
113.02410	2.4
113.89299	0.5
119.03477	2.0
137.02562	0.7
149.02446	0.9
150.90286	0.5
160.22601	0.5
164.04778	8.3
168.73801	0.5
176.01112	2.7
179.07166	3.5
188.04805	0.5
190.02733	15.9
191.03499	11.5
194.91614	0.5
203.07120	1.2
205.05064	48.1
206.05824	6.7
208.03828	2.9
209.04608	0.8
221.08221	16.6
222.05292	0.9
223.06125	30.7
237.07742	8.0
250.04858	2.8
265.07175	36.8
279.10999	1.1
289.56680	0.5
295.08197	2.7
325.09430	3.9
333.50024	0.5
385.11685	0.9
448.25504	0.6
469.17267	8.0
470.14255	1.1
485.16696	100.0
564.89081	0.6
583.92151	0.6
823.06567	0.6
955.33270	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31574	0.2
78.95902	29.4
96.96959	3.3
115.02602	0.2
139.92828	0.2
150.98044	1.3
152.99588	100.0
171.00650	3.0
231.03996	0.2
281.24905	2.4
375.77554	0.2
435.25220	64.5
557.29474	0.2
864.61395	0.2
956.60437	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93694	0.9
71.01378	5.5
85.02927	1.4
87.62390	0.9
89.02425	4.9
89.18296	1.1
101.02432	5.5
109.06622	1.6
113.02443	4.8
117.03478	1.6
119.03512	1.7
121.02945	13.2
124.35897	1.1
132.02249	1.1
134.03734	85.7
135.04491	8.8
136.01686	1.3
137.02457	1.1
149.02423	12.7
149.06079	21.4
150.03217	4.7
151.07611	1.4
160.01660	10.0
162.03204	5.1
163.04037	1.2
164.04781	6.7
165.05566	6.3
171.10284	4.3
175.03993	26.9
177.05545	4.7
178.02731	14.0
192.04308	1.3
193.05051	100.0
207.06590	1.1
221.06029	1.3
222.06618	1.2
223.07549	1.7
233.06010	1.9
234.06812	1.8
235.07576	2.1
237.14925	1.3
239.07184	4.9
247.13365	1.9
250.06349	14.5
253.08720	5.0
253.88722	1.3
254.09410	8.3
265.08524	3.7
265.14575	1.5
267.06586	14.1
282.09000	56.0
291.18130	1.6
294.08926	2.4
297.08127	1.3
297.11322	6.9
305.17590	3.9
323.18536	10.8
326.08035	2.2
341.10315	78.8
353.10367	6.9
371.11221	2.4
405.21249	4.3
551.17578	8.7
567.25519	1.2
599.27155	60.1
747.32471	70.1
759.31555	1.7
761.32813	5.9
777.33057	6.1
939.38507	1.7
957.39764	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60638	0.4
71.01367	4.7
72.99285	0.8
73.02912	0.6
85.02962	0.8
87.00858	0.8
89.02438	5.6
97.02940	1.9
101.02447	4.4
109.06590	1.0
113.02425	3.1
119.03486	1.1
119.08654	3.4
125.02421	2.3
125.09742	0.8
137.09709	8.1
153.12817	6.1
161.04576	0.7
171.10271	14.9
179.05600	0.7
183.13898	0.6
185.11842	2.0
195.10223	0.8
198.12617	7.3
199.13406	1.1
201.11356	3.5
207.13992	0.8
211.13499	0.9
225.14996	2.2
227.12959	0.8
229.19463	0.7
235.08197	0.9
249.18665	14.8
253.09270	0.7
263.20114	1.1
273.18674	0.8
291.19669	10.7
307.19711	0.6
309.20743	100.0
339.37387	0.6
397.13568	17.6
415.14725	4.6
617.24536	0.8
647.33008	20.7
765.31433	0.6
830.48962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
96.02861	0.6
96.19409	0.6
105.93340	0.7
125.02476	0.8
127.04028	1.2
140.16728	0.6
151.04066	1.2
152.04782	1.4
176.35364	0.7
186.46150	0.7
199.07570	0.8
229.74435	0.6
238.96547	1.2
239.10786	2.8
240.98149	0.8
241.08743	10.6
245.08295	1.0
255.06714	1.1
255.10292	2.4
257.08228	11.8
257.11020	1.0
262.96545	1.0
265.08746	0.9
281.08194	3.2
283.09802	35.8
285.11230	0.8
299.09109	1.1
301.10858	12.2
313.01758	4.7
317.01208	2.7
327.03378	10.2
328.36810	0.6
329.01196	2.9
355.02774	21.4
357.04190	3.1
358.01947	0.7
362.00677	0.8
373.03836	10.5
463.04959	0.9
464.05670	1.4
489.06476	1.3
505.05652	2.4
593.13000	2.2
596.11304	1.1
621.11328	1.2
639.13226	12.1
656.13599	3.2
657.14270	100.0
658.14282	1.5
659.14783	4.4
876.57477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.262
Annotation	Unknow
Peak:m/z	Relative Intensity
139.02283	0.1
144.31174	0.1
147.97768	0.1
149.02394	0.2
152.92346	0.1
156.17009	0.1
164.04826	0.9
179.07043	0.2
187.10744	0.1
208.03873	0.1
223.06113	1.4
268.03790	42.9
283.06137	100.0
361.66635	0.1
629.28516	1.4
742.49811	0.1
756.75861	0.1
968.40906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	3.1
85.02959	0.8
87.00873	4.5
89.02416	0.6
93.03446	25.4
96.96020	0.8
101.02446	0.6
111.04498	4.9
113.02431	0.9
129.01959	0.8
134.03764	4.6
137.02415	1.1
149.06116	0.8
155.03506	1.1
161.57256	0.6
173.04544	32.4
175.04135	0.9
191.05629	100.0
193.05049	12.9
205.04938	2.0
367.10367	66.3
603.31128	0.7
959.32788	3.2
959.41553	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.4
71.05013	5.1
83.05025	4.9
85.02943	0.6
90.72778	0.4
95.05018	0.6
97.06583	4.6
100.15195	0.4
105.07061	0.4
108.40993	0.4
109.06568	0.8
119.28679	0.4
121.06590	1.7
121.10189	0.4
123.08148	8.5
123.53240	0.4
125.09711	4.0
135.08154	3.8
137.06215	0.4
137.09758	0.8
141.09230	1.7
153.09210	2.7
155.10733	0.4
157.08774	0.4
171.10265	17.1
177.12917	0.4
181.12352	1.5
183.10240	0.9
185.11830	22.1
186.12138	0.4
187.09758	1.8
197.11795	0.8
201.11328	2.3
207.13997	0.9
209.11847	13.5
211.13477	4.6
221.15466	0.5
223.13422	14.7
229.14412	0.4
229.91641	0.4
231.13800	0.5
233.15491	0.9
235.13362	7.9
237.15007	1.9
245.19127	1.8
249.14928	3.3
251.16548	0.5
254.17950	0.5
263.16537	0.8
267.16110	3.1
268.03775	13.3
283.06131	64.1
287.16422	0.6
289.18118	9.5
305.17706	2.2
306.17993	0.6
307.19174	11.6
323.18738	4.0
324.18732	2.8
325.20230	100.0
633.18274	0.7
677.05756	0.4
758.03473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05009	2.5
84.31634	0.5
88.10056	0.5
93.03415	0.8
97.06573	0.7
107.04996	0.6
109.06607	2.3
114.03798	0.6
115.24313	0.6
116.52527	0.5
118.55130	0.5
123.08156	3.6
135.08139	4.6
146.07333	0.6
148.08987	0.7
149.09694	0.9
151.07634	0.9
151.11249	0.9
153.09235	0.6
165.12851	0.7
171.10248	6.7
172.10605	0.9
173.76549	0.6
177.12886	0.8
185.11812	5.0
191.14413	3.7
197.11810	0.9
199.13391	0.7
203.14540	1.2
205.16075	2.2
207.13982	2.4
223.13374	3.3
224.13625	0.6
233.15424	2.4
235.13455	7.0
237.14990	1.4
245.19098	22.0
247.13419	3.3
247.16960	1.1
248.13879	1.2
249.14984	38.4
258.45819	0.6
263.16547	2.9
265.14597	1.0
266.15045	0.8
268.03799	3.5
271.17026	3.4
278.38217	0.6
283.06161	14.6
287.16376	1.1
289.18127	100.0
307.19193	21.2
323.18655	5.4
324.19028	4.1
325.20230	79.1
881.63977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07079	1.2
105.51830	0.7
106.04313	0.7
109.06586	1.2
111.05537	0.8
113.02435	0.7
113.30210	0.8
119.08650	7.8
121.06586	4.2
123.08140	6.4
123.46289	0.7
125.09697	3.7
126.55069	0.7
135.08191	7.6
149.09657	0.8
153.09181	0.8
165.05496	0.8
165.15103	0.8
171.10269	9.6
185.11838	9.6
191.14546	1.1
199.09689	1.1
199.13454	0.9
209.11838	0.8
221.11766	1.0
223.13475	1.1
235.13446	3.2
245.19102	13.9
249.14984	19.8
263.16614	3.8
268.03714	2.8
271.17038	3.7
283.06161	14.9
289.18121	82.0
307.19165	15.9
317.94705	0.8
325.20233	100.0
528.14703	0.9
603.56421	0.8
633.18036	1.2
959.35205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.0
71.05025	5.9
71.63486	0.7
83.05035	5.2
86.06376	0.8
87.72699	1.0
88.85384	0.9
92.23053	1.3
93.15199	0.9
95.05038	1.0
97.06580	5.6
100.60002	0.9
114.55885	1.0
121.06595	1.4
123.08125	10.4
125.09697	4.0
135.08183	1.9
137.09729	0.9
144.24426	0.9
171.10249	22.7
174.99495	0.8
183.10329	3.5
185.11826	20.0
201.11343	6.3
209.11809	9.5
211.13394	5.8
223.13406	11.4
235.13425	9.8
237.14961	3.4
249.15034	2.1
268.03726	14.3
283.06128	76.8
289.18057	5.1
307.19153	8.2
323.18463	2.1
324.18735	1.3
325.20230	100.0
959.49536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	11.6
73.02931	1.8
85.02929	1.3
89.02435	13.6
91.07822	0.8
91.15057	0.9
101.02427	12.7
113.02470	6.4
115.00360	1.8
119.03490	4.8
131.03517	1.3
133.01425	4.7
143.03482	1.1
153.70496	1.0
158.55997	0.9
161.04587	5.0
177.11435	1.0
179.05656	1.8
203.10800	1.8
221.06659	3.8
249.88628	1.0
254.13168	1.0
256.14740	1.3
258.16241	9.6
271.17123	3.3
285.05566	0.9
316.10626	0.8
341.24875	5.6
342.21988	1.2
360.22971	1.2
411.29065	5.3
429.30093	4.7
522.28290	5.1
523.60559	1.0
681.05579	1.0
684.33911	13.8
735.40259	1.2
752.40179	4.9
753.40924	8.0
862.94751	1.1
915.45856	8.0
959.45221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01883	0.3
91.05529	0.1
106.21315	0.1
110.21968	0.1
111.04501	0.9
132.92125	0.1
135.04539	1.0
151.04028	0.5
164.04771	0.5
179.03494	1.5
183.08167	0.2
192.04276	0.8
197.09703	0.2
205.05014	0.2
205.19917	0.1
213.09209	0.2
239.10806	0.8
241.08725	2.9
255.10371	1.5
283.09781	100.0
290.84991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25253	0.7
69.76540	0.6
71.01379	3.3
73.02946	0.8
73.35002	0.7
88.58463	0.6
89.02451	5.0
96.96010	1.2
97.02953	0.8
101.02457	4.8
113.02439	2.8
114.02785	0.6
119.03519	0.7
125.02462	1.0
125.09749	1.0
127.07655	3.0
127.11227	1.1
144.50836	0.7
155.10779	3.0
156.39178	0.6
161.04568	0.9
171.10254	3.8
181.12337	3.3
183.10236	2.6
183.13899	12.5
200.03032	0.7
201.11337	27.8
213.15036	2.7
223.13400	0.8
225.14862	0.7
235.08302	1.2
241.14517	4.3
247.20509	0.6
249.18634	13.8
275.20218	3.6
291.19717	1.3
293.21347	5.3
309.20752	3.7
310.21188	1.1
311.22324	100.0
397.13544	15.4
415.14560	4.5
578.15692	0.7
647.32892	17.8
959.48236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	36.9
81.09258	0.5
89.21781	0.5
123.04520	9.1
126.40025	0.6
135.04527	11.9
146.80986	0.5
151.04016	0.8
179.03517	50.2
197.04576	100.0
215.05672	0.6
240.91449	0.5
267.34650	0.6
340.11880	11.5
359.05750	0.5
359.09900	14.6
457.13608	92.3
502.17398	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52805	0.5
69.13051	0.6
78.95907	2.4
88.07864	0.6
102.00092	0.6
106.01409	0.6
119.82584	0.7
152.99590	19.9
227.03337	3.7
245.04373	0.8
255.23315	100.0
279.23245	1.1
329.34067	0.7
334.99539	0.6
478.34921	0.7
483.27350	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01893	0.4
72.99300	23.9
123.04501	5.6
135.04514	7.7
144.76523	0.4
179.03505	33.2
179.50146	0.4
182.02165	0.5
195.06583	0.5
197.04565	100.0
215.05609	0.6
250.91750	0.4
260.00241	0.4
359.09872	74.8
436.09314	0.5
439.16162	0.7
465.44827	0.6
871.80939	0.5
925.72925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05006	1.5
85.02953	0.4
87.04514	2.3
97.06592	0.7
109.88150	0.4
113.06062	0.6
125.09724	0.8
127.25410	0.4
137.09734	3.1
171.10271	24.9
177.12900	0.4
183.13889	0.5
185.11775	2.2
197.11835	1.6
199.13374	0.8
201.11363	3.9
209.11876	0.8
211.13448	2.7
221.15475	22.2
223.13370	0.6
229.14490	0.8
233.15436	0.6
237.14925	0.6
239.16539	19.3
251.16539	5.2
263.16394	0.4
265.18219	0.6
268.03854	2.0
269.17645	0.6
273.18634	0.7
283.06140	9.2
284.06476	1.8
285.06522	0.5
289.18106	0.5
291.19696	11.1
309.20712	7.1
325.20313	4.8
326.20596	3.4
327.21793	100.0
531.96350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	0.4
92.23085	0.6
111.08145	1.5
119.08657	0.4
136.55754	0.3
137.09732	0.7
171.10262	8.3
225.14944	3.8
233.15453	1.2
235.16995	0.5
237.18626	2.6
247.17088	2.1
249.14998	0.6
251.16670	1.3
253.18106	0.4
255.19641	0.6
263.20117	0.6
265.18103	13.8
268.03860	2.0
269.17596	0.3
273.18707	4.4
283.06131	9.7
283.19180	36.3
289.18210	2.5
290.18503	2.5
291.19748	5.1
308.19470	0.5
309.20721	5.0
325.20288	2.5
326.20602	1.8
327.21799	100.0
490.48938	0.3
579.57318	0.4
586.58582	0.3
633.18390	0.5
763.07263	0.3
781.38953	0.3
892.44250	0.4
899.50647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	0.4
70.64436	0.2
72.64765	0.2
85.02946	8.2
97.02952	0.6
97.06566	1.3
125.09760	0.3
127.11314	0.3
137.09700	3.2
141.12830	0.3
155.10738	0.4
171.10266	30.3
177.12874	0.5
183.13898	1.5
185.11827	1.1
201.11349	1.4
209.11882	1.2
211.13416	14.0
221.11823	2.9
229.14458	10.7
239.12939	1.8
268.03793	3.1
283.06146	13.3
283.09265	0.6
291.19711	3.6
309.20709	1.1
326.20636	0.4
327.21796	100.0
346.56708	0.2
575.17627	0.3
759.21899	0.3
852.33374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.9
73.02931	0.5
74.22100	0.4
85.02937	0.4
88.98799	0.9
89.02444	0.9
94.85648	0.4
101.02444	2.3
106.58368	0.5
113.02459	0.7
119.03524	0.7
123.90235	0.5
179.03574	0.5
179.05531	0.4
195.06639	0.7
246.93987	0.4
333.20776	0.8
351.21683	1.7
400.84210	0.5
513.27118	100.0
786.61798	0.5
961.32343	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	8.6
71.05020	0.5
73.02946	0.9
76.66769	0.5
83.01379	1.2
85.02974	1.1
87.00862	1.0
89.01940	0.9
89.02441	13.2
97.02944	1.0
101.02429	12.2
113.02431	8.0
119.03555	4.2
125.02436	4.9
126.82202	0.7
141.12773	0.6
143.03525	2.3
149.13332	1.1
155.10765	8.0
161.04518	2.5
171.10251	1.0
179.05693	0.7
203.17992	3.5
207.13904	14.9
221.06706	1.0
235.08229	2.7
247.17027	13.8
265.18097	28.1
279.23322	9.9
287.07831	0.7
297.24374	94.8
397.13519	35.0
415.14651	14.5
695.38660	100.0
698.58643	0.7
961.51343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	14.5
73.02906	2.2
80.93839	1.6
83.01379	2.7
84.39505	2.0
85.02958	2.9
87.00852	2.3
89.02440	24.8
97.02942	2.7
101.02422	19.4
101.84779	2.0
111.37006	1.8
113.02443	10.7
119.03523	2.2
125.02460	3.7
125.09715	2.1
133.05057	2.0
142.17119	1.5
152.99545	2.1
185.11807	9.0
221.06651	1.9
221.41429	1.8
235.08205	9.2
269.24866	82.0
293.21234	90.7
397.13565	92.4
415.14682	20.6
667.39221	100.0
739.50775	2.2
808.32819	2.0
946.30536	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
96.81075	0.6
102.76376	0.7
110.15625	0.6
122.06029	0.8
150.94073	0.7
203.06102	0.6
239.11868	0.8
241.13443	0.6
253.74394	0.7
285.12418	4.9
311.10693	0.8
344.17651	1.4
355.13239	1.0
356.13828	2.4
357.15097	0.8
358.11761	0.7
368.13943	1.0
368.17935	1.0
370.15729	5.8
371.16425	0.9
381.11188	0.9
383.12747	3.4
384.17377	10.8
385.15094	0.8
394.15292	0.9
396.13492	8.4
397.14343	20.2
411.16049	1.1
412.16714	92.7
415.15457	0.9
444.19205	1.5
456.15411	4.3
460.18338	0.8
465.19769	0.8
488.18610	5.1
537.21600	0.9
584.26489	2.9
596.22931	1.4
627.24506	0.7
628.25464	100.0
629.26129	8.7
897.63739	0.8
930.35162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
76.64219	0.2
117.03479	0.3
134.03743	6.7
134.92274	0.3
149.06055	1.7
151.00378	1.7
155.03464	0.4
173.04518	0.5
178.99915	2.2
187.20418	0.2
187.22145	0.2
191.05635	1.1
193.05064	21.6
243.02982	0.3
254.02321	0.3
255.02983	2.7
271.02484	6.8
272.03381	1.0
287.70572	0.2
299.02005	0.5
300.02774	100.0
301.03555	8.5
367.10367	10.6
383.37393	0.2
391.95200	0.2
411.18140	0.2
589.65234	0.3
595.13147	71.5
596.13116	0.4
634.54041	0.4
743.73834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23077	0.2
74.53488	0.2
92.23143	0.2
111.04537	0.2
134.03731	6.0
135.03014	0.8
141.80661	0.2
145.78300	0.2
149.06042	1.4
151.00337	1.8
155.03432	0.4
156.52361	0.2
165.79248	0.2
170.42627	0.2
173.04520	0.4
178.99887	1.8
191.05621	1.2
193.05061	15.4
241.48508	0.2
243.03004	0.3
255.02979	3.3
271.02505	6.0
272.03278	0.8
297.06134	0.3
299.02026	1.0
300.02780	100.0
301.03555	7.4
343.05057	0.2
355.35590	0.2
367.06015	0.2
367.10355	6.2
379.87112	0.2
403.88870	0.2
474.03781	0.2
595.13135	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
75.61757	0.2
92.23071	0.3
133.05080	0.3
151.11290	17.3
169.12340	100.0
171.10298	1.9
195.10298	0.5
208.45116	0.2
213.11342	41.0
231.12376	1.2
327.21902	0.5
328.21988	0.4
329.16095	53.0
333.34546	0.2
553.33362	0.3
798.75873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.59
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	17.0
73.02938	2.5
75.40955	1.2
80.97267	1.1
85.02940	16.1
87.00873	3.3
89.02438	21.6
97.02967	5.0
100.80437	1.3
101.02427	17.8
113.02427	9.8
119.03500	6.9
124.95708	1.3
125.02412	3.1
137.09712	2.2
143.03439	2.1
171.10275	39.1
176.39041	1.3
179.05600	2.4
183.13939	12.6
205.11346	1.3
211.13394	12.9
221.11795	1.6
229.14357	9.4
235.08270	6.3
239.12881	1.7
251.16492	2.5
255.23299	69.6
265.91309	1.3
269.17526	2.7
291.19638	5.6
309.20663	7.5
325.20413	1.4
327.21777	94.0
353.71866	1.5
397.13525	50.7
415.14767	13.3
565.45197	3.0
653.37665	36.4
707.34967	35.0
725.36047	6.7
765.76196	1.5
963.58960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5907
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72963	1.7
71.01369	15.6
75.47430	1.7
76.17226	1.7
80.60537	1.6
82.30040	1.5
85.02942	16.4
89.02435	24.2
97.02975	2.7
97.06599	2.9
100.25028	2.0
101.02443	18.8
113.02443	10.7
119.03499	3.0
122.60755	1.9
125.02409	3.4
161.04501	2.8
170.47787	2.2
171.10295	12.5
183.13930	38.4
211.13428	17.5
232.41199	1.9
235.08179	3.7
251.16522	8.3
255.23308	70.6
269.17737	3.5
287.07883	2.2
291.19580	13.9
309.20709	8.4
325.27686	2.2
327.21771	100.0
397.13510	43.9
415.14639	12.5
419.79993	1.9
426.79620	2.4
454.27548	1.9
558.99591	2.3
653.37537	41.7
707.35242	28.4
725.36053	4.5
748.50122	2.5
963.59021	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69665	0.8
71.01380	16.7
73.02959	2.2
83.01392	2.2
85.02956	4.1
87.00882	3.7
88.97004	1.0
89.02444	27.7
94.74770	1.0
97.02954	4.8
101.02440	22.3
113.02457	11.9
119.03487	7.6
125.02444	7.4
139.04065	1.0
143.03539	2.2
152.74963	1.0
161.04555	2.0
195.13885	2.2
221.06638	1.4
235.01463	1.0
235.08366	6.6
269.24887	93.4
274.46075	1.0
277.21793	2.0
295.22827	12.8
303.81900	1.0
305.08893	1.5
344.88358	0.9
397.13525	78.5
415.14618	19.5
454.03973	1.0
667.39215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6874
Annotation	Unknow
Peak:m/z	Relative Intensity
72.56308	0.2
73.25509	0.2
76.01048	0.2
76.14780	0.2
80.93539	0.2
95.05001	0.9
102.66130	0.2
111.38900	0.2
112.07674	6.8
113.06081	2.7
127.28303	0.2
129.10335	4.3
130.08731	12.2
153.10329	0.2
155.44089	0.3
207.15019	3.9
208.13460	1.4
224.17717	2.8
225.16098	25.1
243.17256	0.3
320.23618	2.5
336.51263	0.2
337.26129	2.9
338.24530	11.1
338.28607	0.4
355.26834	0.4
433.31940	2.3
450.34567	2.9
451.26981	0.3
451.32956	5.2
519.77814	0.2
533.42072	0.2
546.40393	2.0
563.43188	2.5
564.41455	3.0
659.48444	1.5
676.51514	1.4
677.49451	1.0
748.07745	0.3
772.57043	0.5
789.59247	1.0
885.65552	5.0
901.04907	0.2
903.66638	100.0
963.68915	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	1.0
89.02426	2.9
92.22505	0.8
99.00880	3.5
113.02441	0.5
119.03353	0.5
135.04527	13.5
172.48669	0.4
201.78342	0.5
233.47382	0.5
233.55910	0.5
297.07745	0.7
309.07471	0.7
312.12384	1.1
322.10901	2.0
325.56891	0.5
340.11917	100.0
366.15363	0.5
379.69562	0.5
380.68546	0.5
381.98218	0.5
433.04034	0.5
461.16714	9.6
502.17206	51.3
622.54089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	5.9
73.02911	0.6
73.21451	0.5
73.70466	0.5
85.02939	5.8
89.02427	6.9
101.02436	6.0
108.94278	0.5
110.38312	0.6
113.02435	2.7
119.03468	2.9
149.02414	0.8
164.04803	12.0
166.02660	4.0
166.06320	0.9
177.05482	1.0
177.56226	0.6
178.06393	0.9
179.03435	1.0
179.05609	1.1
179.07121	18.3
180.04262	2.3
181.05109	1.0
183.06659	0.9
190.02736	14.2
190.06358	3.2
192.08028	0.8
195.06647	4.8
197.04584	1.0
202.35568	0.5
203.07111	0.9
205.05061	70.5
205.08521	6.8
207.03055	2.3
208.03815	5.7
210.05463	0.7
217.08604	1.0
218.09483	1.0
222.05313	5.6
223.06126	32.3
234.05328	13.9
237.07639	3.2
247.06091	2.4
249.07686	22.0
261.07718	6.1
262.08447	16.2
275.09354	0.7
276.09998	3.0
277.10809	19.7
315.17087	0.6
321.09814	1.4
340.57739	0.6
454.14697	0.7
462.94589	0.7
469.17166	57.4
561.19836	100.0
567.20862	40.4
570.67645	0.6
807.31104	12.7
880.13995	0.7
922.36517	0.7
965.41113	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50838	0.8
71.01375	6.3
81.23048	0.7
85.02946	5.6
87.45318	0.8
89.02438	9.1
95.01363	1.0
101.02453	7.0
113.02447	1.9
119.03495	1.3
121.03003	1.0
126.85220	0.9
149.02425	2.1
150.03226	20.9
151.03976	1.1
161.04482	1.2
163.03995	3.7
164.04814	17.5
165.05568	7.4
166.02695	1.8
166.06288	1.0
177.05563	3.7
178.06345	1.5
179.05585	1.4
179.07121	25.7
180.04245	1.7
181.05057	1.7
183.06633	1.9
190.02696	14.4
190.06363	3.7
195.06631	4.8
205.05070	89.9
205.08649	11.1
207.02992	1.6
208.03723	7.2
209.04515	8.1
218.09503	2.1
219.02992	1.6
222.05368	4.8
223.06131	37.7
223.08279	1.3
233.11958	0.9
234.05345	27.1
237.07693	4.3
240.35045	1.0
247.06027	1.5
249.07692	42.7
261.07614	8.5
262.08478	16.8
276.09961	1.7
277.10797	21.7
389.12561	12.7
469.17166	66.9
561.19818	100.0
567.20862	74.9
567.30157	1.2
759.94989	1.1
807.30841	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.367
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.9
83.01390	0.8
85.02268	0.7
85.02936	1.8
88.36201	0.6
89.02435	18.0
90.68998	0.7
91.51919	0.6
95.01437	0.8
96.95988	0.7
101.02437	13.8
113.02433	8.6
119.03468	9.2
134.69823	0.7
143.03491	0.9
161.04636	0.7
163.04044	6.5
164.04803	4.8
166.02684	4.1
169.65858	0.7
177.05602	1.2
178.06334	1.8
179.05598	4.1
179.07169	4.1
183.06583	1.5
190.02733	4.3
191.03438	0.9
205.05052	22.6
207.03012	8.3
208.03725	1.6
222.05286	7.6
223.06152	11.0
230.09486	1.8
234.05399	8.7
245.11748	1.0
249.07709	13.2
261.07672	1.0
262.08438	1.5
274.08496	6.9
277.10880	2.8
288.93073	0.8
289.10846	22.2
293.10327	4.3
307.11862	1.0
321.09802	3.1
454.14728	7.3
469.17178	100.0
511.82373	0.8
561.19995	11.9
567.20886	88.9
739.49048	0.8
800.60461	0.9
807.31067	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48179	0.8
69.03493	1.1
71.01008	1.5
71.01379	30.7
73.02942	67.2
75.00885	0.9
83.01387	13.0
85.02949	6.4
89.02435	22.1
94.00354	0.8
95.01379	2.0
97.02964	0.9
101.02441	60.1
103.71218	0.8
113.02442	31.5
114.53044	0.8
117.03445	1.9
119.02741	1.3
119.03477	9.7
119.04982	5.0
125.02410	3.0
131.03465	6.4
143.03479	5.4
145.02948	96.1
149.04556	14.9
155.03365	1.3
161.04549	24.1
163.04007	16.0
189.05623	5.0
203.05669	3.4
209.85408	0.7
221.06660	26.9
298.85266	0.8
312.88507	0.8
371.20840	1.4
409.15097	100.0
413.21878	41.3
457.20932	1.0
459.40182	0.9
507.18893	16.4
765.26440	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.6
71.01007	0.7
71.01374	15.3
73.02959	2.1
83.01389	1.2
84.71391	0.6
85.02940	1.3
85.46416	0.5
87.00887	2.8
89.02431	19.4
91.58386	0.5
95.01367	0.9
97.02937	4.1
100.75458	0.6
101.02437	20.2
113.02434	9.7
119.03487	5.6
125.02434	5.8
125.09707	5.1
133.05037	0.7
141.12874	2.7
143.03468	1.3
149.09714	1.1
161.04564	4.2
169.05074	0.6
179.05750	2.0
185.11847	8.3
197.11836	1.1
208.49144	0.6
221.06691	0.8
235.08250	6.1
245.06624	0.6
249.22417	0.7
253.09364	1.0
255.23309	68.8
287.07721	1.2
293.21265	48.9
295.52914	0.6
305.08868	1.0
311.22324	13.3
397.13547	63.7
415.09430	0.8
415.14597	16.1
520.72046	0.6
528.82837	0.6
653.37659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66718	0.5
69.00829	0.5
71.01369	1.3
76.33019	0.5
78.95865	0.5
87.21069	0.5
89.02439	3.3
92.94325	0.5
95.77728	0.5
101.02428	3.1
113.02422	1.2
119.03491	0.9
125.02405	1.0
161.04442	0.7
235.08331	0.8
283.22833	100.0
283.26355	12.3
293.24246	0.6
372.58542	0.7
397.13541	19.3
415.14377	3.2
644.31616	0.7
681.40735	27.3
836.43683	0.7
965.66132	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.6
85.02940	0.4
92.91967	0.4
94.08804	0.4
101.02414	0.6
108.02162	17.2
109.02937	13.3
121.02940	0.7
123.04522	0.4
151.03979	1.8
152.01151	44.3
153.01932	23.2
163.04007	0.9
165.01930	2.3
171.31995	0.5
241.62241	0.5
315.07263	100.0
317.94238	0.4
318.12949	0.5
427.46613	0.4
499.41669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6592
Annotation	Unknow
Peak:m/z	Relative Intensity
74.17293	0.4
111.00886	0.8
112.07681	0.7
130.08708	1.8
207.14995	0.5
225.16048	3.2
226.16370	1.9
227.16652	0.6
340.24951	0.5
495.99454	0.4
888.67877	0.6
904.66711	1.7
905.67468	1.9
906.67480	21.1
966.66125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
74.51838	0.2
78.95899	1.5
128.56044	0.3
140.20874	0.2
141.73517	0.2
152.99590	8.3
154.03346	0.2
156.76230	0.2
158.21632	0.2
171.00661	0.9
183.20825	0.2
196.89482	0.5
206.52280	0.3
227.03230	0.3
245.04312	0.9
255.23314	100.0
464.23563	0.3
483.27344	54.7
953.79651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
72.02699	0.2
78.95897	3.4
96.96960	0.2
118.55784	0.2
132.70819	0.2
152.99583	21.2
167.73706	0.2
171.00620	1.3
227.03302	3.1
233.96506	0.2
241.29085	0.3
245.04323	0.6
255.23311	100.0
429.84293	0.3
483.27341	69.1
535.03552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	0.4
78.62042	0.4
78.95921	2.8
80.17860	0.3
80.46747	0.4
83.52384	0.4
90.03629	0.4
93.52751	0.4
101.02415	0.7
152.99596	20.3
171.00671	1.7
192.98363	0.5
227.03297	3.3
245.04468	0.5
255.23325	100.0
262.67029	0.5
279.23306	1.0
318.14145	0.5
397.13504	2.3
483.27350	73.6
490.49683	0.5
677.37292	0.7
967.51660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
76.37045	0.5
77.83341	0.5
78.95905	3.3
83.05624	0.5
108.87072	0.5
135.99040	0.5
136.34425	0.6
152.99596	20.1
153.24574	0.5
171.00682	0.7
227.03348	3.6
245.04167	0.7
255.23312	100.0
377.58554	0.5
420.08746	0.6
432.43143	0.6
483.27325	72.2
519.05585	0.6
521.78125	0.6
566.41125	0.6
967.48718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47843	0.9
71.01377	15.1
71.05006	7.3
73.02943	1.5
74.43867	1.1
75.87413	1.0
78.95856	1.0
82.78976	0.9
83.01388	2.3
85.02943	4.2
87.00883	5.5
89.02437	23.2
91.41021	0.9
94.86707	1.1
97.02948	1.2
97.06581	2.2
101.02443	22.0
113.02461	12.1
119.03497	5.5
121.06574	1.5
125.02440	3.7
125.09689	4.6
137.09738	13.9
143.03468	2.1
161.04547	5.5
161.83203	1.0
171.10271	28.2
171.47333	1.0
179.05540	2.1
185.11775	7.5
207.13914	1.5
209.11928	1.9
217.07211	1.1
219.14079	1.4
221.06645	1.2
235.08125	3.7
235.13419	1.5
235.17189	1.4
236.13809	1.3
237.14909	1.7
243.05498	1.2
247.20755	1.3
251.16522	16.0
264.40686	1.1
277.21729	77.0
278.21988	2.0
291.19666	38.0
293.21155	1.4
307.19229	1.3
308.19495	1.9
309.20746	100.0
333.44769	1.2
379.12482	4.8
397.13528	51.9
398.13763	1.5
415.14618	11.7
564.05786	1.3
569.41943	2.2
657.35382	1.4
675.35883	23.6
685.59186	1.5
689.33978	26.1
707.35193	12.6
967.56476	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	14.8
78.80251	3.5
85.02994	4.9
87.00864	3.8
89.02434	28.7
94.21772	4.0
101.02406	27.3
113.02428	6.8
119.03524	3.4
125.02435	7.7
135.67952	3.3
167.07004	3.9
169.12241	4.3
171.10229	5.8
197.11810	37.9
209.15454	6.4
211.29971	4.5
225.14937	8.5
233.15388	4.7
233.53252	3.7
235.08134	5.7
251.16487	3.9
276.00256	3.4
277.21759	97.6
291.19629	22.8
309.20724	100.0
344.61893	3.9
379.12665	3.9
397.13513	61.6
415.14893	24.5
675.35419	24.0
689.34131	24.5
707.34454	6.0
967.57458	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67455	1.7
71.01369	3.0
72.34660	1.7
89.02419	7.1
101.02434	9.1
113.02432	2.2
183.13896	14.5
211.13304	2.8
223.13167	2.5
231.20981	2.2
235.17039	9.1
265.21829	2.2
275.20181	21.0
291.19827	2.5
293.21259	100.0
300.18887	2.2
379.12396	2.4
397.13531	21.5
415.14621	11.1
638.67834	2.1
673.34363	25.5
676.80994	2.6
691.35669	23.8
949.54852	2.2
967.56573	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	8.4
72.99321	0.4
73.02935	0.7
83.01380	0.6
85.02935	1.8
87.00885	1.9
89.02439	12.6
95.01393	0.3
97.02960	1.1
98.25193	0.3
101.02437	9.8
109.02950	0.4
111.04565	0.3
111.08112	0.3
113.02450	5.4
119.03484	3.1
121.10207	4.6
125.02442	3.7
125.09703	0.3
131.03529	0.4
137.09700	0.5
139.03995	0.4
143.03485	1.2
155.10828	0.4
161.04527	2.7
171.10266	12.3
179.05553	2.3
179.14392	0.6
183.10248	4.2
183.13873	0.5
185.11966	0.3
195.13911	9.8
196.14746	2.0
197.09663	0.3
205.12302	0.7
205.16087	0.5
211.13486	0.4
221.06686	1.5
223.13429	7.3
224.14105	0.4
228.13551	0.3
231.21103	1.6
235.08305	3.2
251.16452	1.4
253.09398	0.7
256.13208	0.7
265.21851	0.5
275.20206	19.8
277.21838	3.5
287.07709	0.5
291.19739	2.8
293.21262	100.0
305.08707	1.1
309.20789	5.8
323.09842	0.4
365.03958	0.3
379.12402	2.7
396.88144	0.3
397.13550	24.3
415.14612	12.3
443.87311	0.4
551.23468	0.7
569.24799	1.1
569.42261	4.2
655.33545	2.1
673.34509	22.2
675.35889	0.4
689.33917	2.0
691.35596	25.1
707.35284	0.5
930.48993	0.5
949.55389	1.5
967.56354	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79560	0.4
72.99300	13.8
75.00860	13.9
93.58573	0.3
101.33514	0.4
125.95167	0.4
241.21761	1.8
259.53333	0.4
264.26746	0.4
287.22296	100.0
694.69330	0.5
704.49072	0.5
863.30420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	0.2
84.02169	0.2
89.02403	0.2
101.02424	0.3
106.97050	0.2
113.02400	0.2
121.85152	0.2
170.87080	0.2
179.03549	0.3
223.20749	0.4
225.22249	37.6
253.21765	1.4
257.97318	0.2
266.27121	0.2
271.22812	100.0
297.28076	0.4
397.13339	1.5
415.14471	0.3
695.42816	2.4
711.39612	0.3
819.35864	0.2
967.66949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6734
Annotation	Unknow
Peak:m/z	Relative Intensity
96.05165	0.2
119.26440	0.2
124.59567	0.2
233.85530	0.2
265.25363	0.4
267.26944	100.0
269.28510	23.2
281.24860	1.5
287.29532	2.5
313.27518	13.7
331.28470	0.3
341.26965	8.3
346.10910	0.2
390.68665	0.2
400.32553	0.2
446.03116	0.2
835.43176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	2.0
83.79659	0.3
96.96008	100.0
98.57587	0.3
102.91137	0.3
104.60503	0.3
107.87892	0.3
126.63064	0.3
165.83269	0.3
407.91568	0.3
448.10800	10.6
543.97754	0.4
850.16223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80140	9.0
71.01367	11.9
97.68909	10.5
113.02401	13.2
125.23245	10.9
179.07210	25.6
190.02896	10.5
192.11610	10.4
205.05106	100.0
206.05455	52.4
223.06047	23.2
234.05399	24.6
249.07800	23.6
250.08023	16.7
262.08350	16.1
263.08609	11.8
273.56757	12.6
418.28091	14.1
469.17398	15.9
470.17670	20.7
471.17661	25.4
472.17493	12.8
562.20343	25.6
563.20319	58.3
564.20587	58.2
568.20825	20.6
569.21381	44.9
570.21985	19.7
810.30927	15.5
968.34296	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11636	0.7
72.92079	0.6
72.99306	26.1
89.77782	0.8
92.22483	1.5
99.00871	1.2
105.34258	0.7
113.02441	0.8
118.53922	0.7
123.04524	5.4
134.81001	0.7
135.04530	8.1
141.44878	0.7
151.24942	0.9
179.03502	32.3
179.05022	1.6
197.04562	100.0
215.05588	1.1
313.66290	0.9
447.14893	1.5
505.16019	1.4
521.15179	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.31
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	3.9
72.99307	8.2
75.75275	0.9
85.15111	0.9
89.02423	10.5
92.22508	1.9
99.00884	14.5
101.02462	6.8
113.02428	5.2
119.03476	5.0
123.04488	1.1
131.03477	3.6
135.04504	14.6
149.04544	5.6
161.04564	4.4
179.03516	9.7
179.05641	1.8
191.05560	7.6
197.04568	31.3
221.06729	2.4
233.50676	1.0
256.17981	1.1
289.77228	0.9
315.10794	12.7
353.88013	1.1
359.09872	17.4
400.94153	1.0
447.15063	25.0
477.16159	5.4
609.20435	100.0
700.77136	1.0
886.04449	1.0
969.32025	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.8
72.99303	36.6
78.10857	0.6
86.63998	0.6
87.49895	0.6
89.02441	1.3
92.23102	0.7
97.06091	0.7
99.00880	0.8
101.02441	1.5
113.02406	0.9
123.04501	10.0
135.04517	15.6
151.03983	3.3
153.05510	0.8
153.54018	0.6
179.03497	46.6
195.29564	0.6
197.04561	68.7
201.52556	0.6
225.11351	1.5
243.12340	2.7
248.95815	0.9
268.82083	0.7
353.58548	0.7
493.49792	0.7
906.16986	0.8
969.39813	100.0
995.36426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	18.2
71.07857	0.7
72.99339	0.7
73.02946	4.2
81.03456	1.2
83.01365	3.0
85.02936	4.6
87.00874	4.6
89.02441	25.9
95.01346	1.1
96.96038	1.0
97.02943	1.7
101.02437	24.8
111.04534	1.0
113.02442	12.6
116.52025	0.8
119.03479	7.3
125.02404	6.3
129.99611	0.8
131.03487	1.1
132.42145	1.0
143.03474	1.4
149.04520	1.3
153.84000	0.9
161.04518	3.5
169.05035	1.1
170.00630	0.9
179.05641	3.6
209.15477	1.2
217.52066	1.0
221.06636	1.2
231.21355	0.9
235.08253	7.2
235.17049	7.7
249.18599	13.8
253.09470	1.2
275.16559	8.7
275.20169	11.1
277.21747	77.9
293.17599	42.6
293.21228	21.9
305.08807	1.0
309.17526	1.1
397.13553	100.0
415.14645	26.6
675.36060	88.9
808.77124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	10.1
73.02946	2.7
83.01395	3.0
85.02956	5.9
87.00867	2.3
89.02431	10.1
95.01376	2.2
97.02933	0.7
99.00880	1.2
101.02444	17.0
101.03087	0.9
103.04007	0.6
105.59956	0.5
113.02447	12.5
119.03504	3.8
125.02444	3.3
133.05058	0.7
135.32474	0.6
140.06337	0.6
143.03508	2.3
161.04538	5.4
169.05086	1.1
187.06064	1.0
195.13904	3.3
196.14565	0.6
217.07242	0.6
223.13327	0.9
235.08273	10.2
253.09296	8.8
275.20172	1.2
277.21753	51.3
293.21262	20.3
358.72223	0.5
397.08771	1.1
397.13562	20.6
415.14587	14.0
534.61652	0.6
570.86987	0.6
619.24670	0.6
674.21967	1.1
675.36078	100.0
969.55066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13011	2.2
70.56564	2.1
71.01373	20.4
72.47984	2.1
73.02946	3.0
86.06529	2.4
87.00870	3.1
89.02442	23.8
101.02425	28.3
113.02447	11.6
119.03490	4.7
125.02449	5.1
135.11720	2.7
142.64337	2.4
157.08720	5.4
161.04636	2.7
235.08266	5.2
249.18604	29.1
252.61795	2.3
275.20209	32.2
277.21771	75.8
293.18051	5.5
293.21249	79.3
397.13550	100.0
415.14621	22.2
675.35925	87.9
761.35852	2.7
969.54474	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.0
70.35187	1.0
71.01384	22.4
73.02965	1.7
73.44556	0.8
80.79353	1.1
81.54716	1.0
82.40746	0.9
83.01372	2.1
85.02962	3.9
87.00874	5.9
89.02448	24.8
95.01402	1.0
97.02944	4.6
101.02444	19.7
113.02447	9.1
119.03522	5.1
121.10225	7.0
125.02457	8.2
125.09721	4.7
126.82917	1.2
143.03500	1.6
161.04529	4.0
169.30257	1.0
174.77405	1.1
179.05670	1.9
185.11903	10.2
197.11832	4.0
221.06644	2.0
223.13344	1.2
235.08237	9.3
247.20612	1.2
279.23315	100.0
282.11618	1.0
287.07581	1.2
291.19705	57.2
368.47485	1.4
397.13559	94.0
415.14648	26.3
442.51810	1.1
512.09448	1.2
550.11536	1.0
624.79755	1.1
677.37659	83.2
842.65930	1.3
897.51563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.7
71.01370	12.0
73.02932	2.9
81.56044	0.7
83.01380	1.4
85.02930	1.2
87.00874	3.4
89.02428	19.5
97.02937	3.7
101.02435	17.0
110.90721	0.9
113.02444	8.1
119.03485	3.7
125.02480	7.3
134.89862	0.8
135.14925	0.7
143.03508	2.9
161.04576	4.3
169.12296	1.0
179.05612	1.6
179.10667	0.9
197.11836	28.5
221.06680	0.9
231.21112	1.1
235.08273	7.7
248.88765	0.8
249.22218	1.0
253.09381	1.3
275.20190	21.8
277.18628	1.1
277.21747	59.4
293.21249	100.0
305.08899	1.5
397.13531	67.5
415.14655	19.2
526.23303	0.9
675.36053	53.3
676.72534	0.8
969.48053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.6
71.01369	21.0
73.02921	2.1
85.02947	3.1
87.00863	2.8
89.02439	28.3
97.02927	3.0
101.02433	29.6
104.23367	1.5
113.02458	11.1
119.03495	6.2
125.02428	6.8
141.90907	1.3
161.04558	2.2
223.17043	55.0
235.08234	6.9
275.20236	12.9
277.21741	80.8
293.18066	3.9
293.21240	90.3
318.05255	2.2
347.24710	1.7
397.13538	100.0
415.14511	28.4
632.04449	1.7
675.36060	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	6.7
75.06610	0.5
86.14125	0.7
92.23080	0.6
96.68377	0.6
109.11644	0.6
120.38052	0.6
123.04522	4.3
126.91175	0.6
135.04523	3.9
164.57007	0.7
179.03532	10.5
189.72888	0.7
197.04575	18.5
231.94386	0.7
267.06519	1.3
287.26819	0.6
310.10898	14.7
325.13235	77.4
340.15567	100.0
431.15381	1.4
473.00226	0.7
538.20892	9.7
629.20892	3.3
660.58997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	2.6
73.02934	0.4
77.77778	0.2
79.19444	0.3
81.03442	1.2
85.02933	0.6
89.02445	0.5
99.04516	2.3
101.02423	2.1
113.02425	1.8
115.85181	0.2
117.05567	0.3
142.82910	0.3
147.00845	0.4
147.04549	0.4
149.02425	3.1
152.01134	0.6
161.04526	0.5
163.03999	0.5
164.04796	14.1
169.05020	0.5
175.00388	2.4
179.07083	2.4
182.40831	0.3
190.02724	32.6
191.03548	0.5
191.05632	1.0
205.05069	86.7
207.02911	0.4
208.03799	1.8
209.04539	2.1
223.06119	20.5
251.05640	0.3
265.07220	0.5
273.15985	0.3
308.44003	0.3
311.07672	0.5
367.10190	0.5
455.11868	0.6
470.14380	1.1
485.16718	100.0
971.32800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.8
79.33230	0.3
89.02436	3.7
100.67793	0.4
101.02440	2.3
113.02422	2.3
114.34048	0.4
119.03485	1.5
122.17123	0.4
149.02403	1.8
150.03174	0.6
163.04005	0.6
164.04787	6.9
165.05580	0.5
168.77345	0.4
176.01155	2.2
177.05392	0.4
179.07127	2.9
181.05061	0.5
188.04822	0.4
190.02716	10.5
191.03500	11.9
195.03128	0.5
203.07117	0.9
205.05060	37.0
206.05855	6.4
208.03818	1.9
209.04626	0.4
221.08206	18.1
222.05338	0.8
223.06122	31.1
237.07698	8.3
247.06007	0.5
250.04756	3.1
265.07190	39.3
279.10886	1.8
295.08258	4.8
325.09372	4.8
385.11499	2.9
470.14429	0.7
485.16714	100.0
615.50555	0.5
619.11707	0.5
971.33612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92693	0.5
71.01381	2.4
71.38996	0.5
81.36457	0.5
89.02432	3.1
91.85406	0.7
96.96003	3.3
101.02420	1.3
113.02439	0.8
121.02900	0.7
122.03719	2.6
133.03001	0.7
134.03737	1.3
136.01624	1.2
137.02368	0.7
146.03802	0.7
149.02437	5.0
149.06075	1.5
150.03223	54.8
151.03970	4.5
161.06075	0.9
162.03265	1.2
164.04785	6.5
165.05565	100.0
166.02730	2.9
167.03481	0.7
177.05608	1.0
179.05676	0.8
179.07133	2.6
180.04295	6.2
181.05099	9.0
191.05634	0.6
193.04984	1.0
195.06654	26.0
198.72777	0.6
205.05081	2.8
220.07343	1.3
222.28761	0.7
223.06175	0.9
319.17722	0.8
417.15686	1.1
535.16357	1.2
565.20630	5.0
595.22058	6.2
598.13129	0.7
607.20331	1.0
613.22833	5.3
698.43201	0.6
743.27051	2.5
761.28363	19.8
773.28571	1.4
775.27612	0.7
791.15662	1.2
791.29352	25.4
809.30359	38.3
923.33490	1.4
971.35004	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	5.6
73.03066	1.2
89.02450	7.0
96.95975	2.4
101.02441	1.4
119.69435	1.2
122.03709	5.5
133.02975	2.1
134.03734	8.3
136.01639	15.3
137.02432	2.9
145.02957	3.1
146.03745	5.3
147.04523	2.9
149.02452	16.5
149.06071	11.7
150.03221	57.4
151.03998	37.9
152.04823	3.2
161.02437	2.3
161.06076	3.0
162.03209	2.2
163.03999	4.8
163.74533	1.3
164.04805	9.5
165.05569	100.0
166.02711	6.0
167.03470	2.1
175.04082	1.3
177.05667	3.0
179.03525	3.2
179.07123	7.1
180.04349	10.3
181.05057	19.2
190.06447	1.6
193.05084	2.0
195.06606	20.3
205.05011	7.2
207.06703	2.7
211.72874	1.3
219.06598	1.8
220.07390	5.9
300.41669	1.5
312.07367	1.2
329.10117	1.9
350.56052	1.3
367.42715	1.3
381.83563	1.2
386.13571	1.9
535.16266	2.8
549.18140	2.7
550.18323	5.1
551.19495	3.3
565.20557	7.1
595.21759	11.9
612.22522	2.9
613.22906	1.6
667.22986	1.8
713.26508	10.5
743.27246	38.0
761.28235	42.8
773.28363	17.7
791.29272	99.7
809.30432	9.8
971.35089	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71313	0.6
70.70077	0.5
83.16747	0.6
121.02928	0.9
122.03703	2.6
133.02950	1.4
134.03722	3.0
135.04482	0.6
136.01634	2.4
137.02451	3.7
145.02917	1.0
146.03708	0.9
147.04570	0.8
149.02432	13.6
149.06094	7.6
150.03218	59.6
151.04007	8.0
152.04794	3.1
153.05643	0.6
161.06099	1.1
162.03256	1.3
163.04048	0.8
164.04758	7.3
165.05565	100.0
166.02739	3.8
167.03557	0.8
177.05600	0.9
179.07158	3.6
180.04268	7.3
181.05096	12.8
187.38734	0.6
190.06380	0.9
191.05624	1.4
193.05110	2.7
195.06650	17.3
205.05045	3.4
207.06543	0.8
213.17342	0.6
219.06679	0.8
220.07422	6.6
315.08701	1.2
329.10379	2.4
347.72440	0.6
387.10693	0.8
387.14948	0.9
402.13132	1.2
403.13965	0.8
406.18472	0.6
417.15536	1.3
520.17438	0.9
535.16034	3.9
549.17981	1.2
550.18481	3.5
551.19275	1.1
565.20605	9.6
613.22968	7.7
713.26245	5.0
743.27142	1.4
759.30365	0.8
761.28192	35.8
775.28864	0.9
791.29523	8.9
809.30359	84.3
923.33453	5.5
971.35632	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	20.3
72.99295	0.8
73.02933	4.2
83.01394	1.0
85.02929	3.5
87.00871	7.2
89.01894	1.0
89.02442	30.1
97.02940	0.9
101.02438	27.1
105.67038	0.8
113.02451	14.9
119.03493	6.7
125.02438	8.3
131.03494	6.7
143.03484	1.5
149.04529	1.0
161.04573	8.4
179.05655	6.3
203.05646	1.5
221.06683	6.6
222.05176	0.8
235.08237	3.2
249.18556	8.7
253.09332	3.1
337.14020	0.9
383.11826	5.1
385.96152	0.8
397.13531	3.5
415.14655	1.2
559.18683	3.9
607.93579	0.9
694.04248	1.0
721.24146	39.7
739.25275	9.3
770.85291	0.9
809.38879	1.1
971.43402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	19.4
72.99274	0.3
73.02943	3.8
75.00871	0.4
76.33390	0.3
81.03458	0.7
83.01385	2.2
85.02946	3.8
87.00866	7.1
89.02439	26.9
95.01372	1.7
97.02937	2.0
99.00865	0.4
101.02442	28.1
111.00881	0.4
113.02448	15.7
119.03499	7.2
122.81118	0.3
125.02438	9.2
131.03494	7.4
139.03952	0.4
143.03496	4.1
145.05133	0.6
149.04614	0.4
161.04561	8.7
179.05664	5.3
203.05669	1.4
221.06703	7.7
235.08313	3.9
245.06651	0.4
249.18611	10.3
253.09331	3.2
263.07510	0.4
295.39871	0.5
298.59390	0.4
323.09778	0.7
369.71432	0.4
383.12006	5.4
397.13654	3.1
415.14603	1.5
485.14893	0.6
559.18835	2.2
721.24194	44.4
739.25189	11.7
809.38416	1.8
889.47729	0.6
971.43494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	10.0
72.99303	0.7
73.02942	3.4
76.78497	0.3
81.03481	0.3
83.01384	0.7
85.02946	3.6
87.00874	1.7
89.02435	8.7
92.23020	0.5
95.01366	1.2
97.02945	1.0
99.00863	0.7
101.02438	14.3
113.02453	6.3
119.03490	3.9
125.02424	2.4
131.03473	2.3
136.35345	0.3
141.01895	0.3
141.06979	0.3
143.03484	1.4
149.04512	0.3
159.02975	0.5
161.04543	3.8
179.05650	0.5
203.05603	0.3
221.06679	3.2
228.63112	0.4
248.12326	0.4
264.67105	0.3
383.12015	1.3
386.25891	0.4
423.32730	3.8
441.33713	5.4
447.54739	0.4
467.31763	0.5
485.32684	0.6
603.38965	0.6
647.37970	2.5
765.43054	0.4
809.43390	1.1
827.74524	0.4
927.48016	0.7
953.46997	0.4
971.48669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01015	0.1
71.01360	1.5
79.95727	0.2
89.02439	1.7
92.22482	0.2
96.96001	17.1
97.02941	0.3
97.60932	0.2
100.79922	0.1
101.02441	1.5
107.96216	0.2
113.02446	0.6
119.03481	0.3
125.02443	0.3
143.03528	0.3
161.04617	0.2
216.11665	0.2
221.15540	0.2
235.08188	0.4
236.10382	0.3
250.28928	0.2
275.20050	0.6
279.23334	6.0
280.23584	1.3
281.23697	0.3
291.19809	0.9
292.19989	0.2
293.17963	100.0
397.13519	4.5
398.13879	0.9
399.14063	0.7
415.14642	1.0
677.37445	3.7
678.38055	0.9
679.38373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87430	1.0
71.01379	14.8
73.02944	4.6
77.93871	1.0
81.19485	1.0
82.83434	1.3
83.01378	1.2
85.02959	5.2
87.00861	13.8
89.02432	18.1
95.01400	1.9
97.02946	4.8
100.03985	1.0
101.02443	27.8
113.02443	19.0
119.03508	6.0
121.10226	5.7
125.02452	8.9
131.03467	1.6
143.03493	4.1
161.04526	4.7
171.10266	13.3
179.05576	2.7
183.13911	4.9
203.05777	1.3
214.21259	1.5
231.21135	1.5
235.08253	6.2
253.09286	5.8
275.20187	22.4
279.23315	100.0
287.07556	1.4
293.21298	37.5
293.24585	2.5
305.08762	2.2
397.13550	88.0
415.14685	34.6
487.82098	1.2
526.10254	1.5
677.37634	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	18.5
72.50024	0.7
73.02946	2.9
79.12448	0.8
82.96501	0.6
83.01372	0.7
85.02937	3.6
87.00864	5.7
89.02432	25.1
92.22556	1.0
95.01379	1.3
97.02933	4.6
99.00880	1.2
101.02431	22.5
113.02447	12.6
119.03468	7.1
119.63485	0.6
121.10203	1.2
125.02429	8.0
127.04030	0.9
127.56397	0.6
131.03404	0.7
132.46342	0.6
133.05058	0.9
143.03497	2.4
161.04521	4.6
171.10315	3.8
179.05649	1.3
183.13890	1.2
195.13933	9.5
196.14650	1.6
212.42268	0.7
221.06593	1.5
223.13405	6.1
231.21156	1.2
235.08228	8.7
253.09305	1.2
255.23264	4.9
256.13272	1.0
263.07715	1.6
275.20175	15.2
279.23309	100.0
287.07864	1.6
288.59784	0.7
293.21262	88.7
305.08899	1.4
319.89572	0.7
397.13538	93.0
415.14642	21.8
463.07419	0.8
483.27155	1.5
677.37628	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	2.3
73.02939	0.4
73.37392	0.4
87.10871	0.4
89.02448	2.4
99.00860	3.7
101.02425	0.6
113.02428	2.9
117.03444	4.4
134.03741	76.8
149.04857	0.5
149.06070	14.9
160.01659	4.9
165.48280	0.4
175.04008	12.8
178.02705	3.0
189.30502	0.5
191.05565	0.5
193.05072	100.0
220.86908	0.4
225.10503	0.4
233.04808	7.1
246.05672	0.9
247.06323	0.7
248.03615	1.9
248.07150	0.6
250.04964	0.5
262.05176	5.3
263.05896	2.7
268.04001	0.4
277.03958	0.8
278.04614	1.9
278.08252	1.8
280.06180	0.5
283.06122	5.8
290.04605	0.9
291.05426	2.2
292.06213	3.4
293.06882	1.9
305.03387	0.8
306.04071	5.8
306.07721	3.4
316.04181	0.4
320.05692	7.1
321.06396	1.6
335.08133	2.5
336.08832	13.0
380.07797	7.5
484.90018	0.5
488.79346	0.5
591.20947	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	31.4
72.99538	0.5
77.22429	0.5
78.65531	0.5
84.31428	0.6
115.00360	100.0
137.37337	0.5
144.75346	0.6
161.38641	0.5
217.57355	0.6
329.13968	2.3
467.43625	0.6
637.21832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
91.10884	2.5
122.85635	2.7
135.18204	2.4
151.26265	2.6
160.04037	18.7
203.07089	2.6
308.10532	3.1
309.07748	19.1
309.11441	12.2
311.09241	5.8
312.10083	11.0
324.10065	38.7
326.11639	3.7
327.12418	14.3
339.12354	17.8
363.55603	2.7
443.14902	4.9
481.15161	13.4
518.36432	3.0
524.17371	10.5
615.18829	3.1
630.21667	4.5
643.11670	2.8
660.22510	48.8
678.23145	3.8
720.24219	16.8
732.15344	3.1
732.24725	75.9
750.25787	34.5
822.28088	3.1
882.29791	100.0
912.31635	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
72.23431	2.2
87.65408	2.3
89.02475	2.3
103.35653	2.6
105.40690	2.7
142.78210	2.6
160.04074	22.0
188.03514	5.0
212.65619	2.8
294.09235	2.9
308.10614	2.8
309.07697	20.3
309.11343	15.6
311.09293	9.4
312.10031	13.8
323.09442	3.9
324.10095	45.4
326.11627	4.8
327.12473	16.0
339.12341	20.8
380.24039	2.8
442.14526	3.9
443.15466	4.4
469.12653	3.2
481.15295	16.6
487.17593	4.2
501.17694	2.9
524.17126	5.8
600.16675	4.9
612.16382	4.0
630.21649	10.9
648.21521	3.4
660.22461	100.0
672.22589	42.5
690.23297	11.0
720.24927	35.1
732.24640	52.7
750.25488	44.6
822.28510	6.3
882.29437	39.4
912.30664	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	12.5
73.02927	2.3
83.01389	1.3
84.31535	0.5
85.02942	2.7
87.00874	3.8
89.02435	16.1
97.02927	2.6
101.02438	15.1
105.17760	0.5
107.59482	0.5
112.58221	0.6
113.02440	7.6
119.03499	4.2
125.02422	5.9
139.03909	0.7
141.12842	0.8
143.03477	2.7
161.04555	2.9
169.12334	1.3
179.05603	1.2
197.11792	1.2
221.06822	0.7
235.08179	2.9
251.23822	0.8
253.09300	0.9
277.21710	10.7
279.23309	64.5
280.23691	3.7
287.07663	1.0
293.21280	2.9
294.21506	2.7
294.39224	0.6
295.22803	100.0
305.09122	0.7
386.58420	0.7
397.13538	63.0
398.13995	0.8
414.27628	0.6
415.14594	16.1
553.10168	0.7
636.94684	0.6
677.37646	60.3
678.37915	1.0
679.38239	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	24.0
73.02902	2.0
83.01374	2.1
85.02945	3.2
87.00851	3.5
89.02422	23.1
96.96017	2.8
97.02955	2.7
101.02439	27.6
113.02435	11.3
114.48409	1.6
119.03487	6.8
125.02415	7.0
139.04044	1.5
143.03542	2.5
161.04526	3.0
171.10249	2.8
179.05598	3.6
195.13907	7.6
225.14951	6.1
235.08215	6.4
240.09782	1.7
255.23318	2.9
277.21704	14.9
279.23322	100.0
280.23660	3.0
281.23856	1.7
292.19968	2.2
293.17923	13.0
293.20950	3.8
294.18298	9.2
295.17654	7.4
295.22803	55.6
345.67386	1.8
360.42288	1.5
387.59521	1.6
397.13535	87.9
398.13907	3.5
415.14627	17.1
501.20193	1.9
526.71899	1.7
677.37622	78.2
678.38251	2.3
679.38477	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.611
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	20.8
73.02934	3.2
81.03454	0.9
83.01384	2.9
85.02953	4.4
87.00858	4.7
89.02441	26.5
95.01402	0.6
97.02945	3.8
99.00897	0.7
101.02442	22.3
101.49381	0.5
113.02436	13.1
113.09716	14.3
119.03477	6.7
125.02432	8.2
126.12388	0.5
127.04032	0.7
131.03487	0.7
133.05043	1.3
139.11267	0.7
143.03499	3.4
149.04634	0.6
152.99626	1.1
161.04568	4.7
167.10751	2.2
177.12767	0.6
179.05641	1.2
179.10771	3.2
195.13925	3.0
221.06706	1.4
235.08226	7.5
245.06670	0.7
249.22202	2.9
253.09317	2.4
263.07751	0.9
281.24881	100.0
287.07547	0.7
293.21259	87.5
305.08795	2.3
397.13538	97.3
415.14584	21.7
679.39203	92.3
878.84540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78845	0.9
71.01373	22.3
73.02946	1.8
83.01393	1.6
83.02719	1.0
84.49924	1.0
85.02960	4.3
87.00859	2.5
89.02437	19.8
95.01387	1.3
97.02935	5.8
99.00903	1.4
101.02438	25.6
113.02439	9.4
119.03487	5.0
125.02445	7.6
126.59417	1.0
143.03481	1.4
152.99574	8.3
161.04576	4.8
169.05052	1.5
177.97290	1.2
179.05658	2.0
185.11873	7.5
221.06645	1.7
225.25378	1.0
235.08260	4.1
249.22296	1.2
253.09511	1.7
280.36438	1.1
281.24881	96.0
293.21246	76.6
305.08853	1.2
397.13559	87.7
415.14651	20.8
432.49283	1.2
435.24646	1.2
633.38000	1.2
679.39166	100.0
732.95605	1.3
798.50012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.387
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04998	2.1
81.03462	2.9
83.05050	2.3
92.22536	1.7
97.06604	1.9
113.06190	1.9
123.08153	1.7
125.09697	6.9
135.30739	1.4
139.07634	2.0
171.10257	8.9
185.11812	2.3
191.05608	1.9
201.11336	24.4
209.11858	26.4
227.12959	2.1
235.13332	17.3
247.13367	1.7
253.14445	2.5
265.14581	1.8
268.03854	7.3
279.19830	2.7
283.06122	39.0
287.16751	3.2
305.17700	2.6
323.18573	9.2
339.17938	2.0
340.18204	2.4
341.19717	100.0
501.50586	1.7
633.18524	6.3
662.61249	2.1
975.30518	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6934
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15903	0.1
81.17014	0.1
112.16212	0.1
125.53638	0.1
211.68137	0.1
487.34341	100.0
488.35104	0.1
811.26111	0.1
975.47375	0.1
975.69409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.569
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	35.1
88.84990	0.3
93.46606	0.4
96.96957	3.0
150.98004	0.8
152.99580	100.0
171.00648	2.9
279.23270	2.9
337.24048	0.6
367.14706	0.4
433.23636	62.1
719.63513	0.5
840.81586	0.5
976.58136	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.2
71.01369	1.8
81.03448	0.3
83.05009	0.3
85.02922	0.1
87.00878	0.2
89.02435	0.5
93.03445	13.1
96.41451	0.1
99.00866	1.2
101.02442	0.2
111.00923	0.3
111.04514	3.3
111.09274	0.1
113.02414	1.1
118.60446	0.1
119.46461	0.1
134.03749	3.1
135.04507	0.8
137.02452	4.1
149.06081	3.9
155.03506	4.2
173.04544	100.0
178.02687	2.0
188.77301	0.1
191.05638	0.6
193.05057	21.6
271.61008	0.2
315.10928	0.6
335.50912	0.2
355.10461	0.6
447.15094	8.2
529.15680	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80939	0.3
72.99301	35.0
73.92666	0.3
75.53321	0.3
109.02959	0.4
109.13491	0.3
115.03948	0.5
123.04501	9.9
134.31279	0.3
135.04524	10.8
137.42416	0.4
146.56496	0.4
151.04056	0.5
153.05582	0.5
179.03500	46.7
197.04564	100.0
205.05042	0.5
215.05571	0.5
223.06012	0.6
249.38519	0.4
251.95662	0.4
267.43024	0.4
320.57208	0.5
341.09030	0.6
343.78952	0.3
359.09854	13.1
396.44830	0.4
457.13580	84.2
519.17297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.8
85.02941	0.5
91.59534	0.4
97.62425	0.4
101.02422	0.8
117.03419	0.7
121.02954	4.8
122.03725	2.9
132.02196	5.2
133.02963	4.3
134.03748	25.0
135.04521	2.8
137.02458	0.5
149.02440	6.9
149.06136	3.9
150.03227	43.1
160.01662	55.5
161.02408	1.9
164.04793	3.1
165.04420	1.0
165.05563	45.2
175.04007	90.4
177.01907	0.5
177.05608	0.5
178.02666	0.9
179.03493	2.0
180.04327	3.3
193.05078	10.9
195.06656	11.8
206.06047	0.5
207.06636	0.9
221.04443	0.6
221.08211	1.0
234.06981	0.7
235.06136	0.8
239.07213	0.7
250.06343	2.6
254.09425	0.9
265.07092	0.8
267.06778	1.0
282.09006	9.4
290.15594	0.4
300.10068	0.5
339.09015	1.5
341.10315	12.0
353.10312	1.1
365.03922	0.5
369.12888	0.5
371.15045	0.8
375.57965	0.5
431.76898	0.5
721.25146	100.0
739.26416	3.7
781.27301	54.6
858.11713	0.7
869.30353	12.7
899.31323	2.7
917.32446	15.8
917.49426	0.6
928.15167	0.6
929.32568	2.5
977.33191	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19754	1.2
71.01382	1.8
76.79768	1.5
89.29666	1.7
119.05007	1.6
121.02926	8.6
123.89958	1.7
132.02159	6.5
134.03741	49.9
135.04520	9.1
149.02483	12.7
149.06087	10.6
150.03217	20.8
160.01672	63.1
163.04048	1.9
164.04790	6.8
165.05606	16.5
175.04007	100.0
178.02734	2.3
179.03555	2.1
193.05000	13.9
201.43852	1.5
239.07304	1.7
250.06529	3.1
267.06512	11.6
282.09012	28.6
297.11319	2.4
341.10355	47.4
341.14172	2.9
485.14789	3.6
721.25018	57.7
781.27240	55.1
781.41870	1.8
869.30347	54.2
870.74347	2.1
917.33020	19.6
917.49933	3.2
929.32434	18.4
977.32086	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03538	0.8
99.95831	0.7
101.06098	0.7
137.09709	1.1
143.07158	3.2
155.10788	1.7
171.10240	12.1
181.12280	1.2
185.11858	3.6
187.09761	7.4
195.13933	1.1
201.11351	9.0
207.13882	1.4
209.11798	1.1
211.13416	0.9
213.11407	0.8
213.29811	0.8
215.12932	1.0
225.11526	1.5
225.14981	39.0
227.16484	1.0
237.14915	5.7
239.12779	1.2
243.12273	1.1
244.08354	0.8
255.16022	11.5
257.14099	1.1
283.06274	5.7
289.17981	1.0
302.72321	0.9
308.70285	0.8
325.20227	1.8
341.19666	3.9
342.20105	5.1
343.21286	100.0
349.03339	0.9
455.59882	0.8
474.60751	1.1
572.28650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05020	0.3
83.05041	0.3
85.02947	1.6
87.04509	1.2
92.22498	0.3
97.02956	0.3
97.06615	0.3
97.46677	0.3
98.05736	0.2
111.04502	0.3
113.06121	0.4
118.00961	0.3
123.08111	0.9
125.09692	0.4
139.07640	1.1
147.06612	0.4
169.12363	1.4
171.10262	2.3
181.12289	1.4
183.10324	0.3
185.11842	1.2
197.11923	1.9
199.13441	1.8
201.11346	7.3
202.11580	0.3
209.11803	1.4
211.13399	1.9
213.11317	0.6
215.12900	0.5
219.14011	0.4
221.11926	0.3
223.13496	0.4
225.15135	0.9
229.14426	0.4
235.13393	0.4
237.15012	3.4
239.12849	0.4
249.36469	0.3
255.16103	0.4
257.13934	2.7
268.03769	1.0
283.06158	4.2
284.06512	0.5
287.16476	0.3
289.18054	1.1
305.17551	0.9
307.19232	0.6
325.20236	6.2
341.19745	3.8
342.19910	2.6
343.21268	100.0
534.85431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82134	0.7
69.03441	1.3
71.01382	0.7
71.05013	7.5
76.94414	0.7
82.89900	0.6
83.05020	1.6
97.06558	0.9
101.02503	1.0
123.08150	1.3
125.09715	97.3
131.36256	0.8
168.79617	0.8
169.08707	100.0
205.05063	1.9
209.25262	0.8
260.74283	0.8
469.17288	4.7
619.52216	1.0
621.04651	0.9
977.46228	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.8
71.01380	15.4
73.02938	2.8
81.03374	0.4
83.01385	0.9
85.02934	3.1
85.86816	0.4
87.00868	7.1
89.02436	28.4
95.01390	1.0
97.02950	1.9
99.00845	0.6
101.02435	20.1
111.00849	0.5
113.02438	13.1
119.03478	7.0
125.02425	8.5
131.03470	6.2
143.03505	3.6
146.31149	0.5
161.04550	5.7
179.05678	6.2
182.21313	0.5
203.05586	1.7
221.06694	7.3
235.08250	2.5
255.23303	12.6
263.07834	0.6
365.10757	0.5
383.12015	9.9
397.13605	2.1
459.11630	0.5
559.18854	0.8
577.20795	0.6
721.24127	34.0
739.25378	8.6
977.48163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6418
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62229	0.3
110.54636	0.4
112.72496	0.4
116.49679	0.4
127.11317	0.7
141.12851	8.2
155.14375	3.4
169.15846	0.5
249.22250	11.2
283.26413	1.7
295.22784	100.0
349.87665	0.5
383.39539	0.5
397.13599	0.6
681.40466	2.3
703.79083	0.5
906.09631	0.5
977.65875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.7
71.01379	20.3
73.02953	1.4
73.95915	0.6
75.27240	0.6
78.95924	0.7
83.01386	2.7
85.02937	4.5
87.00867	4.9
87.71278	0.8
89.02435	23.7
89.35979	0.6
89.52708	0.7
97.02940	3.8
99.00890	1.2
101.02437	24.7
113.02440	11.6
119.03511	7.2
119.04214	0.8
125.02419	6.1
131.03543	0.8
133.05051	1.3
143.03474	3.6
152.99577	3.7
155.07404	0.8
157.08684	4.7
161.04532	3.1
161.85884	0.8
161.87567	0.7
169.05035	0.8
169.12309	3.1
179.05667	2.7
221.06679	1.7
235.08203	6.6
253.09337	2.6
255.23285	1.0
279.23422	9.2
281.24866	93.8
286.67227	0.7
297.24353	57.9
305.08734	0.9
360.55347	0.8
397.13516	78.3
415.14508	18.5
435.25143	1.2
579.33838	1.5
679.39191	100.0
830.81854	0.8
977.52393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61194	0.1
71.59590	0.1
74.85029	0.1
131.68854	0.1
175.46249	0.1
232.71857	0.1
255.23293	0.2
261.22388	0.2
279.23312	100.0
279.72260	0.1
377.26938	1.6
377.31104	0.1
393.77002	0.1
619.79004	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.2
78.17929	0.3
78.95992	0.3
83.04991	0.4
93.03443	9.4
111.00894	0.4
111.04527	3.0
117.03470	0.5
121.13177	0.3
124.96201	0.3
134.03735	8.6
137.02455	4.5
149.06018	2.0
155.03497	3.5
164.21732	0.3
173.04549	100.0
191.05727	0.4
193.05061	17.5
218.93111	0.3
286.11707	0.3
367.10367	51.5
656.49103	0.3
809.77032	0.3
986.83020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.331
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	6.4
72.99299	1.5
89.02470	1.4
112.01219	1.4
115.00366	42.6
133.01430	100.0
155.16638	1.3
237.77827	1.4
259.23697	1.3
476.17233	2.2
693.12170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	3.3
72.99281	1.8
73.02895	0.3
73.68804	0.3
85.02940	0.8
87.00871	5.6
89.02441	4.2
92.23090	0.7
97.02931	0.7
101.02424	3.0
113.02444	1.4
115.03967	1.7
119.03474	1.5
123.04408	0.4
135.04518	1.4
143.03435	0.4
149.02423	1.7
150.03171	0.4
163.03932	1.6
164.04793	4.5
165.01888	4.8
165.05464	0.6
166.02655	1.5
168.35445	0.4
175.00342	0.4
175.03897	0.4
176.01218	0.4
177.05530	0.4
179.03485	3.9
179.07091	3.1
180.04285	9.5
181.05072	3.2
183.06635	0.6
190.02722	5.1
191.03459	2.8
191.05341	0.5
193.04951	1.5
194.05780	2.0
195.06648	18.6
197.04568	3.0
205.05069	34.9
207.03009	0.8
207.06512	0.4
208.03815	0.4
210.05362	2.6
219.02954	0.7
222.05290	1.5
223.06129	8.9
225.07651	4.1
231.10187	0.4
234.05348	5.8
249.07686	8.1
261.07578	0.4
262.08594	0.4
277.10672	1.4
321.09714	0.9
342.11066	0.6
401.12170	2.4
440.14603	0.7
454.14954	0.5
455.17014	6.3
463.15790	0.5
469.17297	5.1
471.30151	0.4
499.16245	8.0
525.80768	0.4
547.18158	0.5
561.19220	0.4
589.09192	0.5
596.91534	0.4
615.55139	0.4
793.28833	3.4
881.30975	12.9
979.34363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	2.7
72.99294	0.5
75.64353	0.4
76.67883	0.5
78.80238	0.5
85.02954	0.7
87.00864	5.3
89.02427	4.1
92.22535	0.5
96.95999	1.1
97.02937	0.6
101.02405	3.4
102.80071	0.4
113.02414	2.5
115.03976	1.0
119.03496	0.8
137.02434	0.7
149.02412	1.1
158.09735	0.4
163.03996	0.7
164.04781	5.0
165.01932	6.0
166.02737	1.1
167.03542	0.6
175.00259	0.8
179.03481	2.4
179.07086	2.2
180.04254	10.5
181.05061	2.1
190.02711	6.6
190.06297	0.8
191.03468	2.1
193.05133	0.7
194.05847	2.1
195.06648	16.7
205.05063	38.8
205.08301	1.4
207.02991	0.8
207.06671	0.6
208.03677	0.5
208.07439	0.8
210.05377	3.4
220.03700	0.5
222.05362	2.0
222.08948	0.8
223.06081	7.5
225.07690	3.3
234.05391	3.7
238.90475	0.5
249.07707	4.3
258.54410	0.5
262.08664	0.6
277.10666	0.5
321.10013	0.8
353.10638	0.5
389.16144	3.3
396.15359	0.6
401.12540	1.1
455.17096	5.1
469.17270	4.9
471.52838	0.6
497.27750	0.8
499.16202	9.3
629.26215	5.4
659.27216	2.4
793.29657	3.3
881.30658	7.4
979.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	1.8
71.05014	5.1
72.99304	0.4
88.24290	0.3
89.02442	2.3
92.22505	0.6
99.08152	1.5
101.02452	2.4
106.60537	0.3
111.95642	0.3
113.02440	1.8
119.03481	0.8
125.09740	2.8
126.10032	0.4
127.11276	36.3
134.41479	0.3
153.09209	9.1
163.04019	1.3
164.04785	0.6
166.02592	0.6
169.08641	0.6
170.09145	0.4
171.10263	100.0
179.07036	0.4
190.02687	0.8
190.15099	0.3
197.04546	0.8
205.05067	4.7
205.75220	0.3
207.03006	2.2
222.05342	0.6
223.06128	2.1
267.04163	0.3
273.56061	0.4
274.08493	0.6
289.10770	2.9
454.14832	0.6
469.17181	75.5
546.24512	0.4
709.27325	5.9
979.45435	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36323	0.4
70.49735	0.5
71.01380	1.1
72.99274	0.6
75.00863	0.5
75.47346	0.4
85.02943	0.6
87.00851	5.2
89.02422	1.8
89.77283	0.4
99.00842	0.6
101.02402	0.8
113.02443	2.4
119.03522	0.5
140.09178	0.5
149.02441	5.2
149.06107	0.6
152.01106	0.9
164.04778	13.5
165.01915	4.6
165.05643	0.6
167.03329	0.6
179.03479	1.0
179.07118	4.9
180.04271	10.5
190.02704	3.5
191.03421	1.0
193.01410	1.0
193.05066	0.5
194.02150	0.6
194.05792	0.6
195.04831	1.0
195.06639	33.9
205.05075	8.8
208.03778	17.1
209.04556	4.6
210.05345	5.1
223.06125	50.0
225.07689	12.1
230.07079	0.5
247.06134	0.6
251.09288	0.8
269.10388	0.8
325.76642	0.5
401.12326	2.6
534.72327	0.5
537.16016	1.0
639.28400	0.5
667.22327	0.7
893.30450	0.7
981.32489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
71.34985	2.0
73.02937	10.3
83.01391	3.6
84.41615	2.0
85.02937	20.5
89.02435	41.8
95.01360	3.4
97.02961	23.1
99.00817	2.2
100.27190	2.1
101.02438	36.9
113.02438	39.3
115.04024	45.4
119.03499	10.8
143.03452	3.7
159.03006	3.2
161.04543	44.0
179.05612	5.3
190.16096	2.0
205.05060	3.1
259.08255	96.0
266.97488	2.5
277.09323	36.7
387.87756	2.5
401.15979	4.1
563.21265	45.8
700.92346	2.5
823.30341	37.9
981.35059	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	1.0
95.05011	0.6
97.06565	0.5
109.06560	2.0
111.08148	0.8
116.15733	0.5
116.35004	0.4
123.08130	2.5
135.08138	3.8
146.07452	0.6
148.08958	2.0
149.09724	0.9
151.11278	1.2
163.11214	0.6
165.12828	0.6
171.10225	1.9
177.12845	0.6
185.11771	1.0
191.14386	4.4
203.14471	0.6
205.15953	4.8
213.40004	0.6
217.16017	0.7
223.13417	2.4
225.20313	0.5
231.13979	0.7
235.11295	0.5
235.13254	4.0
245.16553	0.6
245.19096	23.2
247.17043	1.9
249.14952	39.4
252.68204	0.6
261.18579	1.0
268.03769	8.4
271.17062	2.3
283.06128	33.1
283.09274	1.1
289.18109	100.0
297.03983	0.5
307.19174	36.7
537.84570	0.6
612.39441	0.5
996.87933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
81.80672	0.5
92.23077	0.5
106.04250	4.2
109.06589	3.1
121.06571	0.5
123.08156	12.9
135.08163	21.0
149.09679	2.7
153.09171	0.8
165.09224	0.6
167.10811	0.5
171.10274	14.7
175.22310	0.5
185.11842	14.4
185.55962	0.5
191.14433	1.1
197.11810	2.6
205.15935	0.6
223.13408	0.7
235.13237	0.9
245.19083	10.9
249.15027	8.7
268.03796	25.4
271.17020	2.2
283.06143	100.0
289.18127	84.6
307.19189	42.0
317.74969	0.5
352.86899	0.5
457.57770	0.6
772.77863	0.6
958.84259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51143	0.1
81.84814	0.2
110.03677	0.1
136.05290	2.5
151.22195	0.1
207.17635	0.6
226.10033	0.2
245.19093	3.9
261.18607	0.8
263.20172	32.2
265.18130	0.3
271.17102	1.1
289.18121	19.1
290.99399	0.2
305.24487	0.2
307.19174	100.0
314.19797	0.2
821.56342	0.2
867.10565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	5.8
73.02957	1.5
85.02932	1.3
87.00877	3.1
89.02435	11.2
97.06568	1.4
97.33041	0.6
101.02453	9.6
105.14709	0.6
113.02420	5.1
119.03455	3.8
123.08176	0.7
125.02413	1.4
125.09711	25.2
129.40349	0.6
131.03484	4.1
151.04547	0.7
152.99525	0.6
161.04520	3.4
179.05609	1.3
187.09766	26.3
221.06667	5.4
235.08202	2.4
250.37166	0.6
255.23306	18.5
397.13599	0.8
399.69620	0.8
418.43484	0.6
443.45432	0.6
477.04007	0.7
985.52252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	20.1
71.51923	1.4
73.02943	2.6
83.01374	1.9
83.05024	9.0
85.02950	2.8
87.00871	2.4
89.02440	26.2
97.02908	1.7
101.02435	21.6
113.02470	11.4
118.79671	1.5
119.03497	6.0
125.02435	6.6
125.09756	1.8
135.34854	1.5
137.09749	16.5
139.11264	2.0
143.03485	1.4
155.10759	16.6
161.04489	5.0
163.95351	1.4
171.10283	20.0
193.12393	1.9
193.28867	1.8
209.11818	1.7
211.13335	2.3
221.06618	1.8
235.08237	9.5
247.20787	2.2
253.09277	2.1
277.21753	76.0
291.19669	21.4
309.17410	3.0
309.20706	54.7
318.18280	1.6
327.95670	1.6
329.92078	1.7
397.13553	100.0
415.14606	24.6
675.36176	86.4
681.47595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93350	0.6
71.01379	13.3
73.02939	3.1
81.03451	0.8
83.01366	1.1
83.05019	4.1
85.02947	4.1
87.00858	1.7
89.02438	18.2
89.99665	0.7
95.01374	0.8
96.96012	13.4
97.02922	1.7
101.02436	17.2
103.57426	0.7
113.02421	7.9
119.03488	4.8
122.97633	0.9
125.02456	5.8
125.09760	0.8
131.03452	0.8
137.09724	9.6
137.34821	0.7
139.11288	3.0
143.03500	1.4
146.83153	0.7
153.09355	0.7
155.10780	9.1
161.04567	4.3
167.10820	0.7
171.10260	13.6
179.05667	1.0
185.11960	0.9
193.12366	3.6
207.70100	1.0
207.71912	0.9
209.11884	1.4
221.06648	1.4
231.59151	0.8
235.08224	6.1
242.40349	0.8
247.20660	0.9
253.09169	1.0
263.20172	1.5
277.21744	49.3
291.19684	11.0
305.08896	1.1
309.17422	100.0
309.20801	37.3
397.13531	68.7
415.14627	17.6
513.88354	0.7
548.00323	0.9
675.36090	61.3
804.79761	0.9
925.51764	5.2
985.55389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.351
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	2.4
71.01363	2.5
85.02954	1.8
89.02425	1.7
92.97323	1.0
101.02432	7.7
101.87281	1.1
108.02160	5.0
113.02409	2.2
115.03980	2.4
118.97529	1.3
123.00848	5.5
123.04524	8.4
123.86076	1.1
134.03764	1.3
135.04491	1.7
137.63678	1.1
149.02435	4.1
150.03195	2.4
161.02412	5.3
161.04486	1.6
162.03197	6.0
163.04044	8.4
164.04781	11.0
166.02711	1.9
170.35400	0.9
175.00302	1.8
175.82277	1.0
177.05566	22.3
178.02707	12.2
179.03537	1.2
179.07062	1.7
180.04164	2.0
183.06619	2.0
190.02722	37.4
191.03510	2.2
193.05061	26.5
195.06613	7.1
203.66705	1.1
205.05064	95.4
207.03047	1.9
222.05290	2.2
223.06113	14.7
347.11337	1.5
419.13373	6.4
469.17068	13.8
567.20721	1.4
859.30054	8.7
871.30084	1.9
888.85492	1.2
889.31409	76.9
934.03625	1.1
957.34003	4.6
987.34753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	1.3
71.01369	7.1
85.02924	2.1
87.00867	1.5
89.02438	7.9
101.02412	7.2
106.38257	1.5
108.02144	2.9
109.02956	1.8
113.02422	5.8
113.15643	1.3
115.03996	5.5
115.71587	1.2
123.00881	2.8
123.04504	9.9
134.03802	1.5
135.04492	1.7
138.03229	1.6
149.02426	2.2
150.03247	2.9
161.02400	5.4
162.03242	2.5
163.04045	15.4
164.04765	5.3
165.01961	1.9
165.05556	1.9
166.02649	5.3
177.01862	1.5
177.05568	22.7
178.02736	11.2
179.03545	2.0
180.04294	3.1
190.02705	6.4
191.03447	5.0
193.05063	26.1
195.06606	7.9
205.05052	24.2
207.03024	9.9
222.05385	2.9
223.06099	7.1
269.54553	1.4
274.08432	8.7
289.10910	9.6
293.10144	2.8
419.13336	3.1
439.12039	1.5
469.17175	13.4
513.06836	1.6
560.53796	1.5
567.21729	1.5
859.30505	1.9
889.13538	2.8
889.31427	70.8
896.35187	1.6
987.34991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	39.4
72.99275	4.3
73.02955	10.2
85.02978	23.8
89.02428	5.1
92.63017	4.5
95.90726	4.5
99.00911	4.9
99.78513	3.9
101.02437	26.8
103.94425	5.6
113.02442	30.5
159.71408	4.1
161.04530	100.0
162.02145	4.8
164.55249	4.3
184.48270	3.8
293.64102	4.7
494.67801	5.1
531.18506	8.5
577.20209	9.1
739.26013	18.8
741.53406	5.1
799.28796	61.5
811.28369	21.8
919.66858	5.8
987.47253	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24425	2.8
99.58788	2.7
99.98416	2.6
104.83531	3.2
115.67430	3.0
121.92302	2.7
124.42608	2.8
127.22833	2.9
149.02441	24.2
150.03218	41.6
164.04817	14.6
165.05566	74.6
167.90276	3.3
180.04329	6.2
181.05051	13.9
195.06590	13.7
207.06519	4.4
240.07997	6.2
241.05084	5.2
255.06660	65.8
256.07404	17.3
270.09012	65.3
271.09741	13.7
278.79263	3.0
298.08548	15.9
301.10840	33.7
313.10666	12.8
441.11542	3.4
456.14203	6.4
471.16632	10.2
553.27594	3.4
600.58270	3.0
619.21796	43.2
620.06683	3.2
654.08331	3.4
667.24066	100.0
685.25116	36.8
957.35333	20.6
969.35767	5.4
987.36981	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	16.4
71.05024	0.7
73.02946	2.7
76.29079	0.7
81.03455	1.3
83.01373	6.2
83.05038	1.7
85.02946	4.6
87.00858	4.0
89.02440	22.2
95.01334	0.8
97.02937	5.0
98.03800	0.7
101.02435	20.3
104.46036	0.7
113.02447	9.5
113.09801	0.8
118.42661	0.7
119.03497	6.5
125.02408	7.6
125.06081	1.6
125.09718	6.8
128.63475	0.8
135.08228	0.8
137.09726	1.1
139.11255	3.8
143.03479	1.6
152.99568	2.8
161.04549	3.6
163.11337	5.6
165.12849	13.1
167.10782	4.1
168.11559	0.9
179.05579	0.9
181.12352	3.9
191.10805	3.3
193.15988	3.6
209.11842	38.2
219.17488	0.8
221.06659	1.1
235.08170	7.9
247.20718	12.8
253.09052	0.9
265.21838	1.5
270.13663	0.8
273.18549	3.5
279.23303	95.0
287.07852	3.0
291.19690	42.5
291.87442	0.8
305.08807	1.8
309.20734	90.5
397.13531	99.6
415.14612	25.6
677.37598	100.0
967.91895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.59
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92295	0.7
69.26997	0.6
71.01381	6.8
82.34643	0.6
85.02942	1.2
87.00872	1.5
89.02444	7.7
97.02953	0.8
101.02440	9.3
113.02416	5.5
113.09737	1.1
115.34856	0.7
119.03461	1.1
125.02431	3.1
129.09195	5.5
139.11348	1.2
153.12846	0.7
161.04483	0.8
163.11217	0.8
169.12363	1.3
171.10251	10.5
181.12383	4.6
183.13881	1.5
185.11868	0.7
193.12297	1.2
197.11801	7.8
199.13377	4.7
201.11362	1.5
211.13431	17.9
235.08185	3.7
253.09224	0.9
275.20245	1.4
277.21753	32.3
287.07730	0.8
293.21237	14.5
311.22318	100.0
320.36893	0.8
377.21033	0.7
397.13583	34.7
415.14627	9.9
439.61850	0.7
487.65869	0.7
551.60938	0.7
675.36096	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	8.0
72.89301	0.7
73.02950	1.2
83.91689	0.7
85.02945	3.4
87.00873	5.3
89.02451	6.8
93.79179	0.7
97.02903	1.2
101.01849	0.9
101.02444	10.5
113.02459	7.4
113.09714	3.7
119.03484	2.7
123.61158	0.6
125.02415	4.5
129.09190	1.6
135.99213	0.6
143.03470	3.0
150.26694	0.7
153.12929	0.9
160.72186	0.7
161.04512	1.4
165.12784	0.7
165.69969	0.7
169.12305	0.7
171.10229	1.3
179.05585	1.2
179.92137	0.8
181.12276	1.6
183.13976	1.2
193.12457	1.1
197.11868	7.9
198.02097	0.7
199.13373	3.3
211.13394	12.7
219.37482	0.8
235.08215	3.4
253.09366	3.3
265.21713	3.0
275.20367	0.9
277.21747	39.3
287.07901	0.8
293.21320	9.6
311.22311	100.0
313.52774	0.8
397.13535	37.0
415.14581	16.9
657.33649	0.8
675.36017	28.2
913.19086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.591
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38957	1.6
71.01385	20.2
73.02947	1.5
85.02950	2.4
87.00862	2.5
89.02435	22.3
94.64575	1.3
97.02962	5.1
99.00902	2.1
101.02444	21.5
113.02447	10.3
119.03490	2.9
123.08168	2.2
125.02421	6.7
125.09692	5.1
127.11324	2.2
137.09718	2.3
155.10797	14.2
156.62259	1.3
161.04547	2.3
171.10266	29.3
178.34637	1.3
185.11823	29.2
187.87975	1.3
202.42090	1.3
212.10501	2.8
217.95976	1.3
235.08173	5.1
263.20209	5.6
279.23303	100.0
281.21231	3.1
291.19788	11.5
305.08743	2.2
309.20740	49.3
397.13565	93.4
415.14587	24.9
449.03293	1.3
677.37677	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.7
71.01382	0.8
81.03452	0.4
83.05033	0.2
85.02956	0.9
87.00871	4.5
93.03450	19.1
99.00882	0.3
99.04475	0.3
111.04511	4.4
113.02442	0.4
117.03381	0.2
127.03970	0.3
129.01955	0.7
134.03735	2.3
149.06096	0.2
155.03514	1.2
173.04544	10.5
175.04027	0.7
184.20601	0.2
191.05629	100.0
193.05055	6.6
317.22852	0.2
367.10364	64.4
386.19739	0.2
765.42273	0.2
951.76709	0.2
989.35059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.2
73.02937	0.4
78.95869	0.4
78.98584	1.1
79.95736	1.1
80.77624	0.2
80.96511	11.4
81.03519	0.2
85.02941	0.3
87.00865	0.5
94.98080	4.4
97.02956	0.3
101.02425	1.1
106.98092	0.4
122.97565	1.1
125.02480	1.8
125.03275	0.3
127.04004	0.3
131.78229	0.2
134.97614	1.7
136.99138	0.3
144.72151	0.3
148.26955	0.2
148.99155	2.8
152.02744	0.3
152.98537	3.2
152.99702	2.6
164.98624	7.3
206.99779	2.4
225.00758	18.6
232.07036	0.3
255.23250	2.3
299.04471	3.8
368.98782	0.3
433.23608	1.2
443.24878	0.2
489.46863	0.2
504.46515	0.3
555.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98691	0.6
71.01387	2.8
72.27728	0.6
73.02945	0.7
85.02927	0.9
87.00867	1.2
89.02448	5.3
92.23055	0.7
99.33380	0.7
101.02425	4.9
113.02461	3.2
119.03473	1.4
125.02460	1.6
125.09760	0.7
127.11286	2.4
130.39334	0.7
139.11305	1.1
155.10753	0.9
161.04631	1.0
165.09213	0.9
171.10234	6.2
199.43895	0.7
201.11342	49.4
235.08284	1.1
253.09285	1.0
277.21698	19.7
280.95029	0.8
295.22842	3.9
304.83673	0.8
311.22437	0.8
313.23880	100.0
388.40125	0.7
397.13562	15.6
415.14816	7.6
485.81302	0.7
675.35980	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85401	0.2
81.03577	0.1
83.58314	0.1
85.25259	0.1
96.84327	0.1
113.92606	0.2
136.87694	0.2
152.99551	0.2
155.34755	0.2
180.77625	0.2
215.07188	0.2
226.36438	0.2
249.22260	46.1
267.23303	1.7
279.23315	0.9
293.21271	31.0
311.22321	100.0
397.13501	0.2
564.63971	0.2
634.79242	0.2
677.37457	0.6
968.50476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57322	0.4
74.76186	0.4
89.24879	0.4
96.96003	20.1
109.04945	0.4
109.37539	0.3
123.36524	0.4
201.11621	0.4
237.01447	0.4
382.33203	0.4
505.26361	100.0
548.82129	0.5
991.42200	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	16.2
73.02909	1.9
83.01370	1.6
85.02953	4.8
85.78822	1.1
87.00870	5.0
87.15884	1.1
89.02438	21.2
97.02949	2.1
99.00882	1.4
101.02444	17.9
113.02431	11.4
116.14790	1.1
119.03479	4.7
125.02436	7.5
137.02299	1.2
137.09705	6.4
143.03438	2.2
153.12840	5.5
161.04541	2.1
179.05624	1.9
200.39374	1.2
235.08177	5.9
249.22256	4.9
253.09447	1.4
270.34186	1.5
281.24881	94.8
293.21289	62.3
311.22260	10.2
337.20490	6.3
397.13577	68.2
415.14594	18.0
679.39197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10571	0.2
71.01375	7.3
72.99296	0.3
73.02948	1.2
77.36626	0.2
83.01388	0.3
83.59409	0.2
85.02937	1.8
89.02436	14.8
92.05080	0.3
95.01324	0.2
97.02931	0.6
99.00874	8.8
101.02430	2.2
113.01756	0.2
113.02422	2.2
118.02959	1.1
119.34751	0.3
120.04556	0.3
125.02438	7.7
130.06671	0.4
131.03520	1.1
132.04576	0.4
134.06012	0.5
143.03488	0.4
144.04550	11.7
145.91998	0.2
146.02483	17.7
146.03644	0.7
149.04530	1.9
154.06633	0.6
160.04016	3.3
162.05612	1.3
170.06117	1.3
170.64941	0.3
172.04050	1.1
172.07640	0.4
174.05579	3.7
179.03476	0.5
180.80640	0.3
184.07620	0.5
186.05653	2.9
188.03561	0.6
188.07135	2.1
191.05658	2.8
197.04639	2.0
198.05600	2.9
200.03561	1.7
202.05139	0.6
203.05647	1.4
210.05606	1.0
215.05875	0.4
216.06664	26.1
218.04654	2.7
218.08157	1.9
220.06291	0.4
228.06683	4.1
230.04506	1.1
233.06682	2.3
252.06636	0.4
270.07693	0.5
293.08826	1.6
326.52536	0.3
335.09897	0.5
348.10883	5.4
350.08755	1.5
360.09976	0.3
425.13025	0.5
438.14304	0.3
485.97885	0.3
572.16370	6.0
588.19403	0.5
614.17548	1.3
632.18408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	4.1
81.48774	0.2
117.78902	0.2
140.00191	0.3
140.01170	2.7
152.99574	0.9
153.24471	0.2
196.03804	10.0
214.04897	1.9
281.24878	100.0
478.29440	64.1
729.69208	0.2
794.09009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05031	12.1
84.69176	1.3
86.44197	1.3
105.07101	2.5
120.66266	1.3
121.10220	2.2
135.08159	9.4
137.09717	10.4
147.11693	1.8
157.63312	1.4
164.75519	1.4
171.11772	3.3
187.14931	37.6
206.61882	1.7
241.16034	2.3
257.19107	2.4
268.03790	1.9
273.18604	18.3
275.20206	100.0
283.06207	5.7
289.18097	18.5
319.15637	3.3
319.19241	8.8
516.79144	1.7
712.11566	1.7
910.34271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	5.7
81.39856	0.3
92.23338	0.4
140.01199	3.8
152.99576	1.3
193.10333	0.3
196.03810	9.9
214.04887	2.4
261.22244	0.4
267.07724	0.3
279.23325	100.0
476.27893	70.1
995.61041	1.8
1015.64709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	2.7
79.88548	0.2
135.37585	0.2
152.99582	19.9
171.00595	1.3
227.03304	3.6
235.59293	0.2
237.01193	0.1
245.04323	1.0
255.23311	100.0
483.27322	70.3
530.45325	0.2
627.42200	0.2
635.24835	0.2
853.25098	0.2
952.65820	0.2
997.53583	0.7
1006.69592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78952	0.6
121.45490	0.7
139.58847	0.7
172.93394	0.8
190.06624	2.9
205.05215	0.7
208.07784	0.8
218.06129	1.4
220.07733	0.8
222.05443	1.1
232.04012	11.9
233.04823	13.4
234.05609	31.1
236.07141	1.7
246.05588	8.9
249.04274	1.6
260.03513	13.0
261.04315	3.4
262.05109	100.0
263.05872	5.8
264.03046	3.3
264.06757	8.2
268.03827	3.0
274.04904	2.2
277.03992	1.4
283.06107	12.6
288.03000	1.3
289.03796	3.1
290.04626	81.8
291.05414	17.5
292.06235	12.4
301.03806	2.8
302.04550	3.7
318.04150	16.1
319.04889	40.1
320.05676	97.8
364.04669	57.6
379.24597	0.8
427.29834	0.8
454.04626	0.8
619.99249	0.9
760.76886	0.9
998.23376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	26.0
75.04088	0.3
79.95707	0.4
84.73909	0.3
85.19894	0.3
88.93890	0.3
96.96005	17.8
99.16433	0.4
104.56438	0.3
113.02393	0.3
123.03635	0.6
123.04521	17.0
135.04523	11.7
149.02359	0.4
150.03285	0.7
151.04012	0.3
164.04829	0.7
165.05594	1.7
176.01143	4.9
179.03502	33.7
190.02724	3.6
191.03513	16.1
194.02217	0.6
197.04570	42.4
205.05067	15.2
209.04591	2.9
211.06129	9.2
223.06064	3.7
233.04651	0.5
274.57837	0.3
338.06369	0.4
353.08844	2.7
359.09875	1.5
367.10413	3.8
431.02405	0.4
565.15704	100.0
663.12634	0.7
670.48236	0.4
749.28735	0.4
909.66699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.6
71.01379	0.6
78.96571	0.1
83.05010	0.2
85.02943	1.4
87.00867	4.8
93.03448	22.3
99.00887	0.7
99.04500	0.6
100.57800	0.2
109.02892	0.2
111.04504	4.5
111.90685	0.1
113.02415	0.3
120.08279	0.1
127.04028	0.2
129.01941	1.4
134.03722	3.1
143.03494	0.2
149.06044	0.8
155.03508	1.1
173.04544	10.9
175.03955	1.1
191.05624	100.0
193.05054	8.2
197.04500	0.2
248.78687	0.2
261.06656	0.2
339.04507	0.2
367.10364	53.4
END